smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000357138051 282090179 /nfs/dbraw/zinc/09/01/79/282090179.db2.gz NPTMIJFFPXGYHM-GOEBONIOSA-N 2 0 336.484 1.006 20 0 EDADRP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000416829784 282172186 /nfs/dbraw/zinc/17/21/86/282172186.db2.gz GEJMUOLAXUFSAM-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ncc(Cl)c(N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000269021159 282201487 /nfs/dbraw/zinc/20/14/87/282201487.db2.gz FHBVOIDRLIPDAW-QWHCGFSZSA-N 2 0 338.887 1.411 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000342393154 282252103 /nfs/dbraw/zinc/25/21/03/282252103.db2.gz ADIMRXSGMZOVJA-JKSUJKDBSA-N 2 0 325.522 1.757 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228447 530056562 /nfs/dbraw/zinc/05/65/62/530056562.db2.gz UGZJEIMZCQVSOO-KZNAEPCWSA-N 2 0 331.460 1.080 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCC1CCOCC1 ZINC000560529214 306273634 /nfs/dbraw/zinc/27/36/34/306273634.db2.gz ILHVDPAOJGCGQI-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333948985 539662217 /nfs/dbraw/zinc/66/22/17/539662217.db2.gz WVNZMWLWRSTCHB-CQSZACIVSA-N 2 0 326.510 1.257 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000339344996 539707643 /nfs/dbraw/zinc/70/76/43/539707643.db2.gz FDKQMSRZQLSLPS-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000342989719 539772390 /nfs/dbraw/zinc/77/23/90/539772390.db2.gz PKRKPIYPHXSKLM-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)N(CCCc2ccccc2)CC[NH+](C)C)[N@H+](C)C1 ZINC000345203270 539825693 /nfs/dbraw/zinc/82/56/93/539825693.db2.gz CMNUYZGIGAHWQR-OALUTQOASA-N 2 0 347.503 1.729 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562806953 306309764 /nfs/dbraw/zinc/30/97/64/306309764.db2.gz PIWIQVFRTLOECH-SFHVURJKSA-N 2 0 328.460 1.825 20 0 EDADRP COCCc1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000562998803 306315203 /nfs/dbraw/zinc/31/52/03/306315203.db2.gz QLUTYJORMCXGII-IPQPSQTFSA-N 2 0 348.487 1.830 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342689876 291048943 /nfs/dbraw/zinc/04/89/43/291048943.db2.gz FMFXRQRIJQFQKX-CVEARBPZSA-N 2 0 339.480 1.382 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000563410584 306332172 /nfs/dbraw/zinc/33/21/72/306332172.db2.gz IJZNZVISHIUNKW-UHFFFAOYSA-N 2 0 332.448 1.051 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077552834 138253173 /nfs/dbraw/zinc/25/31/73/138253173.db2.gz CIWGLJFAPDAXOW-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028790 138277346 /nfs/dbraw/zinc/27/73/46/138277346.db2.gz VTKUADBPMRYECT-YJBOKZPZSA-N 2 0 331.460 1.779 20 0 EDADRP O=C(NCCCn1ccnc1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112212398 138309080 /nfs/dbraw/zinc/30/90/80/138309080.db2.gz HEERRMFCMFMFBI-MRXNPFEDSA-N 2 0 335.452 1.027 20 0 EDADRP [NH3+]Cc1ccc(-c2noc(-c3cn(C4CC[NH2+]CC4)nn3)n2)cc1 ZINC000564327944 306358606 /nfs/dbraw/zinc/35/86/06/306358606.db2.gz GVFNQJKKPMRKRO-UHFFFAOYSA-N 2 0 325.376 1.378 20 0 EDADRP Cc1c(C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)nnn1C1CC[NH2+]CC1 ZINC000564893720 306368482 /nfs/dbraw/zinc/36/84/82/306368482.db2.gz UQNCZVLMWHPASU-INIZCTEOSA-N 2 0 346.479 1.115 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000414065654 304099507 /nfs/dbraw/zinc/09/95/07/304099507.db2.gz OSWINZLUNINBCL-SJLPKXTDSA-N 2 0 334.508 1.883 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000414176163 304104324 /nfs/dbraw/zinc/10/43/24/304104324.db2.gz HETNHFUHEKYGLA-BZSNNMDCSA-N 2 0 337.508 1.330 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112212530 201066951 /nfs/dbraw/zinc/06/69/51/201066951.db2.gz GNKALFSPVGEWTQ-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccn(C)n1 ZINC000414179889 304104880 /nfs/dbraw/zinc/10/48/80/304104880.db2.gz AVBSJQIEPNXKJY-INIZCTEOSA-N 2 0 335.496 1.257 20 0 EDADRP C[C@@H](NC(=O)CC[C@H](C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262789494 296045323 /nfs/dbraw/zinc/04/53/23/296045323.db2.gz MWHJYHGLZKGTAC-UONOGXRCSA-N 2 0 336.455 1.882 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000274791682 201272741 /nfs/dbraw/zinc/27/27/41/201272741.db2.gz CEUXJUFVVAZQPB-NZSAHSFTSA-N 2 0 328.460 1.744 20 0 EDADRP CCOc1ccccc1NC(=O)CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000565717220 306389825 /nfs/dbraw/zinc/38/98/25/306389825.db2.gz SRYIURPBUSPFKU-INIZCTEOSA-N 2 0 346.475 1.393 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(S(C)(=O)=O)s1 ZINC000414370754 304112563 /nfs/dbraw/zinc/11/25/63/304112563.db2.gz VXNGSQYXQPOBRX-LBPRGKRZSA-N 2 0 334.507 1.598 20 0 EDADRP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000566066253 306397594 /nfs/dbraw/zinc/39/75/94/306397594.db2.gz JAOUOCPYOLHITM-AEFFLSMTSA-N 2 0 338.540 1.816 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702212 304129685 /nfs/dbraw/zinc/12/96/85/304129685.db2.gz UVOXDDFRVWLNED-QYZOEREBSA-N 3 0 338.540 1.101 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414701195 304129694 /nfs/dbraw/zinc/12/96/94/304129694.db2.gz UFSXSWVLBCMBHC-AEFFLSMTSA-N 2 0 336.524 1.251 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000414830548 304145683 /nfs/dbraw/zinc/14/56/83/304145683.db2.gz OSZLFLHSXKBBHR-INIZCTEOSA-N 2 0 344.459 1.478 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](C)[NH+](C)C)CC1 ZINC000072280717 203190927 /nfs/dbraw/zinc/19/09/27/203190927.db2.gz RSQQPIQJTVARGY-OAHLLOKOSA-N 2 0 333.480 1.900 20 0 EDADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989760 304148620 /nfs/dbraw/zinc/14/86/20/304148620.db2.gz QYLHSNNKLRHGLE-ZFWWWQNUSA-N 2 0 347.429 1.821 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ncccc1C ZINC000074106482 203280091 /nfs/dbraw/zinc/28/00/91/203280091.db2.gz UEEAXAGLNGPPPU-QGZVFWFLSA-N 2 0 347.507 1.948 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000415025834 304152243 /nfs/dbraw/zinc/15/22/43/304152243.db2.gz RIAIJNZNRFKYEC-WKILWMFISA-N 2 0 336.480 1.918 20 0 EDADRP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000415035535 304153034 /nfs/dbraw/zinc/15/30/34/304153034.db2.gz KTNUZZIBDUTDQI-RDJZCZTQSA-N 2 0 331.460 1.905 20 0 EDADRP CSc1cccc(F)c1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566969478 306434637 /nfs/dbraw/zinc/43/46/37/306434637.db2.gz BCQYQSNRSPDHTB-CYBMUJFWSA-N 2 0 327.469 1.246 20 0 EDADRP c1ccc(OCCN2CCOCC2)c(C[NH2+]CC2CC[NH2+]CC2)c1 ZINC000415090109 304158418 /nfs/dbraw/zinc/15/84/18/304158418.db2.gz ZYFUEUJKTXYVLK-UHFFFAOYSA-N 2 0 333.476 1.487 20 0 EDADRP C[C@@H](CNC(=O)NCc1cccc(OCC[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000105114080 204134343 /nfs/dbraw/zinc/13/43/43/204134343.db2.gz OEIFMNSNWPCKMS-HNNXBMFYSA-N 2 0 348.491 1.909 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000105191853 204138548 /nfs/dbraw/zinc/13/85/48/204138548.db2.gz GHJHBDUWJMITAV-CQSZACIVSA-N 2 0 333.436 1.016 20 0 EDADRP Cc1ccsc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132103 304162621 /nfs/dbraw/zinc/16/26/21/304162621.db2.gz AEUNWTSZCYZOSW-CABCVRRESA-N 2 0 334.489 1.777 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415134747 304162891 /nfs/dbraw/zinc/16/28/91/304162891.db2.gz PLEAVIODJXNAMA-MJGOQNOKSA-N 3 0 330.520 1.958 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000195148506 139007837 /nfs/dbraw/zinc/00/78/37/139007837.db2.gz QMYAKGBSRXATRX-GPMSIDNRSA-N 2 0 345.487 1.912 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000415139200 304163462 /nfs/dbraw/zinc/16/34/62/304163462.db2.gz LDELCUZXCPSLFS-QGZVFWFLSA-N 2 0 344.459 1.430 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236827178 139032769 /nfs/dbraw/zinc/03/27/69/139032769.db2.gz XJVDZQNZVGPVOY-UHFFFAOYSA-N 2 0 332.492 1.681 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000236887020 139034332 /nfs/dbraw/zinc/03/43/32/139034332.db2.gz XSKFHUWRMNMOHZ-SFHVURJKSA-N 2 0 332.492 1.568 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]CCOC)c(C)c2)CC1 ZINC000236896899 139034445 /nfs/dbraw/zinc/03/44/45/139034445.db2.gz ILFMCDPKUGNKGU-UHFFFAOYSA-N 2 0 334.464 1.311 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237067499 139039655 /nfs/dbraw/zinc/03/96/55/139039655.db2.gz VACOOPWKULUBFO-FUHWJXTLSA-N 2 0 332.492 1.294 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000237214167 139044649 /nfs/dbraw/zinc/04/46/49/139044649.db2.gz ZMLRQWRYQJDBDQ-RBUKOAKNSA-N 2 0 344.503 1.681 20 0 EDADRP CN1CCN([C@H](C(=O)N2CCC(C[NH3+])CC2)c2ccccc2)CC1 ZINC000237230261 139045055 /nfs/dbraw/zinc/04/50/55/139045055.db2.gz HPYDLIOIZCHRRK-SFHVURJKSA-N 2 0 330.476 1.172 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000125700316 205021793 /nfs/dbraw/zinc/02/17/93/205021793.db2.gz XTSIOZKTQQOYIG-YJBOKZPZSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000158910241 205380680 /nfs/dbraw/zinc/38/06/80/205380680.db2.gz QCRBWJCBUIFSPE-OAHLLOKOSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237669350 139057541 /nfs/dbraw/zinc/05/75/41/139057541.db2.gz JAPKQYAQJYEOJS-OAHLLOKOSA-N 2 0 348.495 1.587 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000237674042 139057705 /nfs/dbraw/zinc/05/77/05/139057705.db2.gz BWJMMTNTPUQSEL-YJBOKZPZSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237729188 139058979 /nfs/dbraw/zinc/05/89/79/139058979.db2.gz CASKOISUJAVCJQ-DLBZAZTESA-N 2 0 330.476 1.408 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237810636 139061101 /nfs/dbraw/zinc/06/11/01/139061101.db2.gz JLQTWPVHFZXWOZ-QAPCUYQASA-N 2 0 331.460 1.346 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000111797277 220191796 /nfs/dbraw/zinc/19/17/96/220191796.db2.gz MVBBSEKVSZDTFM-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H](C)C(C)C ZINC000343528558 284398593 /nfs/dbraw/zinc/39/85/93/284398593.db2.gz SPPYNWGPKOVUAZ-IAGOWNOFSA-N 2 0 327.513 1.826 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000238085353 139068661 /nfs/dbraw/zinc/06/86/61/139068661.db2.gz HXWAPCLPGGIKQH-AWEZNQCLSA-N 2 0 343.562 1.559 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415239457 304177724 /nfs/dbraw/zinc/17/77/24/304177724.db2.gz OLWQDIMMECIGCB-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@H](C)c2ccccn2)C1 ZINC000245691682 139083250 /nfs/dbraw/zinc/08/32/50/139083250.db2.gz LVTNHMCUQFVPEB-IAGOWNOFSA-N 2 0 348.491 1.547 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000157921978 206163243 /nfs/dbraw/zinc/16/32/43/206163243.db2.gz MKEYMNNXAFMUSW-HKUYNNGSSA-N 2 0 344.503 1.751 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000245942307 139090761 /nfs/dbraw/zinc/09/07/61/139090761.db2.gz KAEWLVRSPUFJRX-WMZOPIPTSA-N 2 0 334.508 1.987 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000246921788 139127019 /nfs/dbraw/zinc/12/70/19/139127019.db2.gz MWLSSOKIGMJWRN-OALUTQOASA-N 2 0 348.487 1.990 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000247032783 139132384 /nfs/dbraw/zinc/13/23/84/139132384.db2.gz GJFCALIHOFSLRE-NCOADZHNSA-N 2 0 325.497 1.530 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000415320330 304193997 /nfs/dbraw/zinc/19/39/97/304193997.db2.gz BIIKPSHQDARPCB-MRXNPFEDSA-N 2 0 330.432 1.089 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000247068502 139134139 /nfs/dbraw/zinc/13/41/39/139134139.db2.gz WLUJSKXXDXTOAR-BMGDILEWSA-N 2 0 349.475 1.799 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161526425 206355531 /nfs/dbraw/zinc/35/55/31/206355531.db2.gz RLNWZSRKRJIDPG-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP COC1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000568397705 306480878 /nfs/dbraw/zinc/48/08/78/306480878.db2.gz YOQXQLZIOYMETK-CVEARBPZSA-N 2 0 335.423 1.238 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000415366174 304205016 /nfs/dbraw/zinc/20/50/16/304205016.db2.gz VLFNZFNZENNBBW-OAHLLOKOSA-N 2 0 332.448 1.274 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)C1 ZINC000418624710 284642289 /nfs/dbraw/zinc/64/22/89/284642289.db2.gz ZSTFCROUZGEGRT-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)N(CC[NH3+])CCO)c2)CC1 ZINC000415386033 304210900 /nfs/dbraw/zinc/21/09/00/304210900.db2.gz FTTOWYWOQRKCFW-UHFFFAOYSA-N 2 0 348.491 1.746 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1n[nH]c2c1CCCC2 ZINC000170813710 206617979 /nfs/dbraw/zinc/61/79/79/206617979.db2.gz VGWQDRGZNVVHTG-UHFFFAOYSA-N 2 0 335.496 1.634 20 0 EDADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248400203 139162164 /nfs/dbraw/zinc/16/21/64/139162164.db2.gz KREKNQSFSPUVIG-GUDVDZBRSA-N 2 0 330.472 1.886 20 0 EDADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000249177287 139188642 /nfs/dbraw/zinc/18/86/42/139188642.db2.gz ZTECGWAUJFJZMN-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000271096258 284770656 /nfs/dbraw/zinc/77/06/56/284770656.db2.gz JBQLVRAHKUVMIK-HOTGVXAUSA-N 2 0 337.464 1.747 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)cc1 ZINC000569102134 306496268 /nfs/dbraw/zinc/49/62/68/306496268.db2.gz CDZVVZLGHAKFMO-DNQNPRGNSA-N 2 0 331.460 1.855 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000261743229 139222381 /nfs/dbraw/zinc/22/23/81/139222381.db2.gz KQCKQOHNWGYIHV-ROUUACIJSA-N 2 0 331.460 1.521 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000261750917 139223015 /nfs/dbraw/zinc/22/30/15/139223015.db2.gz LUVLCXDKRZJKCR-UHFFFAOYSA-N 2 0 344.503 1.233 20 0 EDADRP C[NH2+][C@H](C)Cc1noc(-c2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC000261816110 139228528 /nfs/dbraw/zinc/22/85/28/139228528.db2.gz QEJUJDBROCSQHH-CQSZACIVSA-N 2 0 329.448 1.634 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000261899892 139235267 /nfs/dbraw/zinc/23/52/67/139235267.db2.gz DQPPQVZFAPEZKS-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cccc(N2CCC(NC(=O)[C@H]([NH3+])C3CCOCC3)CC2)n1 ZINC000261874212 139233083 /nfs/dbraw/zinc/23/30/83/139233083.db2.gz TYPAUTOTYHQJKG-QGZVFWFLSA-N 2 0 332.448 1.229 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903906 139235504 /nfs/dbraw/zinc/23/55/04/139235504.db2.gz PFPHXVWSQNGCGY-KBXCAEBGSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(CC[NH+]1CCC([C@H](O)c2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262053148 139246856 /nfs/dbraw/zinc/24/68/56/139246856.db2.gz INIJFIMDUIYKEM-LJQANCHMSA-N 2 0 349.450 1.393 20 0 EDADRP COc1ccc(Cl)c(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000262074422 139248700 /nfs/dbraw/zinc/24/87/00/139248700.db2.gz DANQWUREBQTMTJ-LBPRGKRZSA-N 2 0 325.840 1.636 20 0 EDADRP C[C@@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000262143022 139254662 /nfs/dbraw/zinc/25/46/62/139254662.db2.gz XZYWTJDZGRZFGM-CYBMUJFWSA-N 2 0 325.478 1.496 20 0 EDADRP Fc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262148942 139255291 /nfs/dbraw/zinc/25/52/91/139255291.db2.gz QWJPSFVFBBCZMB-MRXNPFEDSA-N 2 0 332.467 1.905 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415964984 251041105 /nfs/dbraw/zinc/04/11/05/251041105.db2.gz XLXLHGNFMXRLDL-IRXDYDNUSA-N 2 0 332.448 1.862 20 0 EDADRP COc1ccccc1CC1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000262213527 139260466 /nfs/dbraw/zinc/26/04/66/139260466.db2.gz TZACZKGCRDCUDU-UHFFFAOYSA-N 2 0 345.487 1.772 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)Nc2ccc(C[NH3+])cc2)ccn1 ZINC000415975704 251043060 /nfs/dbraw/zinc/04/30/60/251043060.db2.gz MVJQDGUIYSLZKS-UHFFFAOYSA-N 2 0 343.431 1.802 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(F)c1 ZINC000416832076 251111464 /nfs/dbraw/zinc/11/14/64/251111464.db2.gz IETXIOBZVQQFMD-HYVNUMGLSA-N 2 0 334.439 1.822 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416831325 251112026 /nfs/dbraw/zinc/11/20/26/251112026.db2.gz AXSUVXQAEUTYIM-IEBWSBKVSA-N 2 0 328.460 1.656 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262297536 139267679 /nfs/dbraw/zinc/26/76/79/139267679.db2.gz WZAVURFDPYURML-DOTOQJQBSA-N 2 0 349.450 1.785 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000417009159 251128613 /nfs/dbraw/zinc/12/86/13/251128613.db2.gz MYLLAKZVUPZEJB-MSOLQXFVSA-N 2 0 346.475 1.192 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417204235 251146047 /nfs/dbraw/zinc/14/60/47/251146047.db2.gz ZWNPTKYJQSVGGM-KURKYZTESA-N 2 0 330.476 1.410 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)[NH+]2CCCC2)o1 ZINC000417413088 251164304 /nfs/dbraw/zinc/16/43/04/251164304.db2.gz BAGUJJKPEUBGAI-OAHLLOKOSA-N 2 0 348.447 1.109 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000262342506 139271636 /nfs/dbraw/zinc/27/16/36/139271636.db2.gz IAVSZWXORVHZMT-MSOLQXFVSA-N 2 0 331.460 1.627 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000262376838 139274301 /nfs/dbraw/zinc/27/43/01/139274301.db2.gz WQHRHBQIKOWZPP-WMZOPIPTSA-N 2 0 345.487 1.911 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000417587887 251200458 /nfs/dbraw/zinc/20/04/58/251200458.db2.gz SSQMXDJYPRFBBK-INIZCTEOSA-N 2 0 339.528 1.091 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000417598044 251203662 /nfs/dbraw/zinc/20/36/62/251203662.db2.gz WUQBPEZCVUKZKZ-QGZVFWFLSA-N 2 0 346.475 1.651 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262392574 139275772 /nfs/dbraw/zinc/27/57/72/139275772.db2.gz OKFGDGCANCOBKB-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)CC[C@H]1[NH3+] ZINC000417660625 251217839 /nfs/dbraw/zinc/21/78/39/251217839.db2.gz NMSOQLFLPYPUFQ-DFBGVHRSSA-N 2 0 340.418 1.946 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[C@H](C)C1 ZINC000417666598 251219675 /nfs/dbraw/zinc/21/96/75/251219675.db2.gz DJYDWBWGZPRTCH-UGUYLWEFSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617557 251206985 /nfs/dbraw/zinc/20/69/85/251206985.db2.gz CBLOWGLAIGNIHR-WBVHZDCISA-N 2 0 348.491 1.794 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262424177 139278156 /nfs/dbraw/zinc/27/81/56/139278156.db2.gz SASRCQUZNIIFKD-INIZCTEOSA-N 2 0 349.500 1.861 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417837897 251291667 /nfs/dbraw/zinc/29/16/67/251291667.db2.gz IPOOADAHCBPEPG-INIZCTEOSA-N 2 0 340.512 1.552 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NCCCN1CC[NH2+]CC1)C(C)C ZINC000417793119 251273446 /nfs/dbraw/zinc/27/34/46/251273446.db2.gz JYYKAZWAWFAGJP-UHFFFAOYSA-N 2 0 327.517 1.090 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000417824046 251284252 /nfs/dbraw/zinc/28/42/52/251284252.db2.gz ZIAOSEALSWSRCI-CXAGYDPISA-N 2 0 327.432 1.757 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418103026 251323193 /nfs/dbraw/zinc/32/31/93/251323193.db2.gz IFQKGJQRAFNZHM-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417850846 251297557 /nfs/dbraw/zinc/29/75/57/251297557.db2.gz XUNMYRAARZXAON-HZPDHXFCSA-N 2 0 346.475 1.284 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418426122 251367416 /nfs/dbraw/zinc/36/74/16/251367416.db2.gz LJYXNLVYMSIECY-HNNXBMFYSA-N 2 0 339.528 1.314 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000418429688 251368145 /nfs/dbraw/zinc/36/81/45/251368145.db2.gz SKRBEXLHQAJWBK-INIZCTEOSA-N 2 0 342.528 1.892 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434099 251370528 /nfs/dbraw/zinc/37/05/28/251370528.db2.gz VEQMNLVFBMETBF-QAPCUYQASA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000418434185 251370580 /nfs/dbraw/zinc/37/05/80/251370580.db2.gz DWUVAZPNZYSXPH-CABCVRRESA-N 2 0 326.485 1.255 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000418135078 251339159 /nfs/dbraw/zinc/33/91/59/251339159.db2.gz HIRXSGHTLDFUBE-WMZOPIPTSA-N 2 0 330.476 1.887 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418138538 251341035 /nfs/dbraw/zinc/34/10/35/251341035.db2.gz GJTSILQSJOHPFA-INIZCTEOSA-N 2 0 326.485 1.319 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000418717863 251395440 /nfs/dbraw/zinc/39/54/40/251395440.db2.gz TUOPDLXPMSJRIJ-STQMWFEESA-N 2 0 332.370 1.710 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418723371 251399249 /nfs/dbraw/zinc/39/92/49/251399249.db2.gz NVTKNKNAKPEDEK-YVSFHVDLSA-N 2 0 338.496 1.399 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418626042 251381218 /nfs/dbraw/zinc/38/12/18/251381218.db2.gz KQFTXYJBTGZRKN-RDJZCZTQSA-N 2 0 333.480 1.685 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418783127 251433512 /nfs/dbraw/zinc/43/35/12/251433512.db2.gz FFNLUKZJFMNSJY-KZNAEPCWSA-N 2 0 334.508 1.892 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000262606351 139289600 /nfs/dbraw/zinc/28/96/00/139289600.db2.gz ATVLSFJLHZWCSF-CRAIPNDOSA-N 2 0 331.460 1.707 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000262641309 139292450 /nfs/dbraw/zinc/29/24/50/139292450.db2.gz KPZFINNTMXFIHI-SFHVURJKSA-N 2 0 332.492 1.090 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3([NH3+])CCCC3)c2)CC1 ZINC000262650013 139293172 /nfs/dbraw/zinc/29/31/72/139293172.db2.gz KZBWRWPFWCLUQA-UHFFFAOYSA-N 2 0 344.459 1.594 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262659156 139293915 /nfs/dbraw/zinc/29/39/15/139293915.db2.gz WNLJLWUAXCRXFD-MRXNPFEDSA-N 2 0 348.491 1.131 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000262669018 139294912 /nfs/dbraw/zinc/29/49/12/139294912.db2.gz QSWYEIGAJFACDU-QAPCUYQASA-N 2 0 332.448 1.592 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262668825 139295025 /nfs/dbraw/zinc/29/50/25/139295025.db2.gz MBQNAFOIQRQTCG-FGTMMUONSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000262677915 139295641 /nfs/dbraw/zinc/29/56/41/139295641.db2.gz UUUVGTUTTIRTDK-YJBOKZPZSA-N 2 0 333.476 1.546 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262696807 139297007 /nfs/dbraw/zinc/29/70/07/139297007.db2.gz BFYZDCPWXREVFF-JKSUJKDBSA-N 2 0 333.480 1.612 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1C[NH+](C)C ZINC000415592872 304235008 /nfs/dbraw/zinc/23/50/08/304235008.db2.gz IWPZVLBTKLMZBG-LJQANCHMSA-N 2 0 344.459 1.207 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422872778 252006848 /nfs/dbraw/zinc/00/68/48/252006848.db2.gz IPNLZXULRXFGTJ-ROUUACIJSA-N 2 0 333.476 1.564 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875020 252008170 /nfs/dbraw/zinc/00/81/70/252008170.db2.gz BHLOAUGWCIDKTM-KURKYZTESA-N 2 0 330.476 1.664 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422881864 252009261 /nfs/dbraw/zinc/00/92/61/252009261.db2.gz RCLGMCCXLTYNSG-APWZRJJASA-N 2 0 344.503 1.833 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000422879575 252010365 /nfs/dbraw/zinc/01/03/65/252010365.db2.gz MPBSIMRUMRAKOW-DWQUBVKVSA-N 2 0 330.432 1.219 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422899899 252016414 /nfs/dbraw/zinc/01/64/14/252016414.db2.gz IJZAEHDSHKSBCV-ZIAGYGMSSA-N 2 0 327.494 1.730 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1 ZINC000422898424 252017113 /nfs/dbraw/zinc/01/71/13/252017113.db2.gz FEAMTYJJQQQOED-UHFFFAOYSA-N 2 0 339.505 1.874 20 0 EDADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C1(N2CCOCC2)CCOCC1 ZINC000423170144 252041109 /nfs/dbraw/zinc/04/11/09/252041109.db2.gz LCLWNQOWBZKJJU-BZSNNMDCSA-N 2 0 337.508 1.378 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C[C@H](C)O1 ZINC000423321235 252045365 /nfs/dbraw/zinc/04/53/65/252045365.db2.gz FDALPDJZZVBZKM-VOGPDBBUSA-N 2 0 343.471 1.664 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423351588 252048770 /nfs/dbraw/zinc/04/87/70/252048770.db2.gz ZFVTVBMFPZCBEM-SWLSCSKDSA-N 2 0 342.281 1.979 20 0 EDADRP C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422909377 252020686 /nfs/dbraw/zinc/02/06/86/252020686.db2.gz FSWRTVASGSPCAA-MRXNPFEDSA-N 2 0 330.476 1.313 20 0 EDADRP CC[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000424022433 252116085 /nfs/dbraw/zinc/11/60/85/252116085.db2.gz UFGUZBRUAWOCQF-FQEVSTJZSA-N 3 0 344.503 1.628 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000423786409 252073701 /nfs/dbraw/zinc/07/37/01/252073701.db2.gz PRSVZUSXFKLNOR-MRXNPFEDSA-N 2 0 342.447 1.825 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C[NH+]1CCCCC1 ZINC000424136169 252138982 /nfs/dbraw/zinc/13/89/82/252138982.db2.gz QLMAMDBQGYTONL-HUUCEWRRSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139878 252139782 /nfs/dbraw/zinc/13/97/82/252139782.db2.gz VSOZOKDYPMFXFX-HOTGVXAUSA-N 2 0 348.495 1.587 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424144554 252142172 /nfs/dbraw/zinc/14/21/72/252142172.db2.gz LRVAONNQABLAFJ-JKSUJKDBSA-N 2 0 347.507 1.595 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCC(C)CC1 ZINC000424155237 252147494 /nfs/dbraw/zinc/14/74/94/252147494.db2.gz MPNZWBLHDVYSGQ-CABCVRRESA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+][C@@H](C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CCOCC1 ZINC000424218787 252166768 /nfs/dbraw/zinc/16/67/68/252166768.db2.gz XBIMFPKUSORBFQ-IPMKNSEASA-N 2 0 343.471 1.473 20 0 EDADRP COC(=O)CC1CC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000424308697 252194504 /nfs/dbraw/zinc/19/45/04/252194504.db2.gz HAAPQUGKSATHEW-JWHDQAAXSA-N 2 0 346.471 1.801 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471917 252242204 /nfs/dbraw/zinc/24/22/04/252242204.db2.gz DMIPICLIBWNVIW-GDAAHCPNSA-N 2 0 342.487 1.900 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441289 252233658 /nfs/dbraw/zinc/23/36/58/252233658.db2.gz WRCDISCLBGFKDB-INIZCTEOSA-N 2 0 347.507 1.849 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376254101 285010525 /nfs/dbraw/zinc/01/05/25/285010525.db2.gz JNSQGBTYDRTSFG-WBVHZDCISA-N 2 0 338.496 1.365 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000263241573 139330577 /nfs/dbraw/zinc/33/05/77/139330577.db2.gz GLHLKOHPTVJEAR-KURKYZTESA-N 2 0 336.524 1.297 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1C[NH+](C)C ZINC000415754678 304265929 /nfs/dbraw/zinc/26/59/29/304265929.db2.gz ZSJPHRFVWNSAOO-ZBFHGGJFSA-N 2 0 344.459 1.063 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453632119 254774445 /nfs/dbraw/zinc/77/44/45/254774445.db2.gz DUZGMLZHIJECCO-CXAGYDPISA-N 2 0 346.475 1.630 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000263761333 139358488 /nfs/dbraw/zinc/35/84/88/139358488.db2.gz KZOSMSHOYXNFHX-QGZVFWFLSA-N 2 0 336.480 1.037 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000263773657 139359444 /nfs/dbraw/zinc/35/94/44/139359444.db2.gz NLFYKDDLOICRIW-CQSZACIVSA-N 2 0 328.482 1.228 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916396 285245272 /nfs/dbraw/zinc/24/52/72/285245272.db2.gz QCCCVTUGOCZDJH-HZPDHXFCSA-N 2 0 342.553 1.940 20 0 EDADRP Cc1ccc(NC(=O)/C=C\C[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000492592631 255181758 /nfs/dbraw/zinc/18/17/58/255181758.db2.gz JDMARQCILZLUJW-SREVYHEPSA-N 2 0 332.448 1.942 20 0 EDADRP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)[C@H](C)[NH3+] ZINC000493991408 255230249 /nfs/dbraw/zinc/23/02/49/255230249.db2.gz HLHFQLUJYJTYIG-CVEARBPZSA-N 2 0 338.540 1.624 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000118868037 221199347 /nfs/dbraw/zinc/19/93/47/221199347.db2.gz JCQMXXXKOBBQEN-UHFFFAOYSA-N 2 0 332.448 1.998 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@@H]2C1 ZINC000355351906 285379162 /nfs/dbraw/zinc/37/91/62/285379162.db2.gz UVYLKQHGOPRVPY-MSOLQXFVSA-N 2 0 331.460 1.683 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000415921860 304285599 /nfs/dbraw/zinc/28/55/99/304285599.db2.gz SIXAEGTYKCYPDQ-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000415935881 304286217 /nfs/dbraw/zinc/28/62/17/304286217.db2.gz UHKVLIWHCNJUOV-UHFFFAOYSA-N 2 0 333.480 1.554 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000416238056 304298818 /nfs/dbraw/zinc/29/88/18/304298818.db2.gz GTBLBAQNGJXLFR-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000416244434 304300029 /nfs/dbraw/zinc/30/00/29/304300029.db2.gz VVKNUVPMBCEMEJ-MSOLQXFVSA-N 2 0 333.476 1.642 20 0 EDADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1OC(=O)C1CC1 ZINC000271789724 140350717 /nfs/dbraw/zinc/35/07/17/140350717.db2.gz GILTVGFDPFKEFJ-UHFFFAOYSA-N 2 0 348.443 1.557 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000272083127 140397852 /nfs/dbraw/zinc/39/78/52/140397852.db2.gz LXIYFOYCMDHDJV-SFHVURJKSA-N 2 0 328.460 1.822 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000288250792 140602741 /nfs/dbraw/zinc/60/27/41/140602741.db2.gz UHIWCHUYXUNXBX-RYQLBKOJSA-N 2 0 348.491 1.650 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000331813348 141083859 /nfs/dbraw/zinc/08/38/59/141083859.db2.gz UCAROQCYERHGLD-HLLBOEOZSA-N 2 0 343.537 1.701 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422852107 285663006 /nfs/dbraw/zinc/66/30/06/285663006.db2.gz AAEQXVLRBJYBJH-MRXNPFEDSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000332061541 141116601 /nfs/dbraw/zinc/11/66/01/141116601.db2.gz YFAGUBVLTUNWBO-RKVPGOIHSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333178048 141276642 /nfs/dbraw/zinc/27/66/42/141276642.db2.gz PDRREDJIBXQKAF-QAPCUYQASA-N 2 0 343.475 1.572 20 0 EDADRP CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000333269948 141290452 /nfs/dbraw/zinc/29/04/52/141290452.db2.gz KHFGPOLUOGVWMP-YESZJQIVSA-N 2 0 343.537 1.558 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333687075 141357948 /nfs/dbraw/zinc/35/79/48/141357948.db2.gz PJMXUKXWENRQBR-SJLPKXTDSA-N 2 0 345.491 1.830 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000333786065 141381249 /nfs/dbraw/zinc/38/12/49/141381249.db2.gz FJJBQLLQDUUFQL-RDJZCZTQSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333786885 141381561 /nfs/dbraw/zinc/38/15/61/141381561.db2.gz LUMIHRRVDJMQLH-GASCZTMLSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000333870068 141398308 /nfs/dbraw/zinc/39/83/08/141398308.db2.gz ULSJBZDTFBQCEV-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP CCNC(=O)[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000339327237 142017010 /nfs/dbraw/zinc/01/70/10/142017010.db2.gz BQQGLNWXJMMOEQ-FUHWJXTLSA-N 2 0 348.491 1.156 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000339572278 142080769 /nfs/dbraw/zinc/08/07/69/142080769.db2.gz CYHYQSFMNFFDTC-CVEARBPZSA-N 2 0 343.471 1.606 20 0 EDADRP Cn1ccnc1CNC(=O)[C@@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911113 142197443 /nfs/dbraw/zinc/19/74/43/142197443.db2.gz CQSOBWDBGRMIRP-MNOVXSKESA-N 2 0 332.370 1.945 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cn2ccnc12 ZINC000340037859 142243739 /nfs/dbraw/zinc/24/37/39/142243739.db2.gz MHEYRYGSNJJFNV-AWEZNQCLSA-N 2 0 329.404 1.038 20 0 EDADRP NC(=O)C1([NH2+]C/C=C/C[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000340173359 142291582 /nfs/dbraw/zinc/29/15/82/142291582.db2.gz SAGWQVQILRTICV-BQYQJAHWSA-N 2 0 336.480 1.098 20 0 EDADRP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[N@@H+]1C ZINC000345324007 143077997 /nfs/dbraw/zinc/07/79/97/143077997.db2.gz QKZQGWNJILSEBM-IRXDYDNUSA-N 2 0 345.491 1.193 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@H]1C ZINC000345785560 143133170 /nfs/dbraw/zinc/13/31/70/143133170.db2.gz PZEPRDDVVZSNTJ-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP [NH3+][C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000346088699 143166370 /nfs/dbraw/zinc/16/63/70/143166370.db2.gz JQNVAPPCYAYWPZ-GOSISDBHSA-N 2 0 330.476 1.322 20 0 EDADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000346378132 143198495 /nfs/dbraw/zinc/19/84/95/143198495.db2.gz KUQGLPCWLXTOMB-HKUYNNGSSA-N 2 0 349.519 1.964 20 0 EDADRP CO[C@@H]1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)[C@@H](C[NH3+])C1 ZINC000346822110 143249096 /nfs/dbraw/zinc/24/90/96/143249096.db2.gz LQAXCHWJFRWCEB-ZIAGYGMSSA-N 2 0 338.521 1.848 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000346960487 143266324 /nfs/dbraw/zinc/26/63/24/143266324.db2.gz HUIZSHWURBNNRQ-HUUCEWRRSA-N 2 0 325.497 1.865 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCOC1 ZINC000347258314 143301073 /nfs/dbraw/zinc/30/10/73/143301073.db2.gz CCWKZSWTHJGGCM-CGTJXYLNSA-N 2 0 333.476 1.290 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000347978999 143386784 /nfs/dbraw/zinc/38/67/84/143386784.db2.gz QOXAYGNZNZXCEX-JKSUJKDBSA-N 2 0 340.512 1.163 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)C[NH3+])[C@H](C)C1 ZINC000417668594 286058054 /nfs/dbraw/zinc/05/80/54/286058054.db2.gz JSOKJYCRPPFQQT-HZPDHXFCSA-N 2 0 342.528 1.750 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC000360979325 286060282 /nfs/dbraw/zinc/06/02/82/286060282.db2.gz SUKBVBZASORSNF-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)COC1 ZINC000352884392 149203059 /nfs/dbraw/zinc/20/30/59/149203059.db2.gz AHOQXMVYAMWQQE-LJQANCHMSA-N 2 0 329.488 1.915 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000333772918 286093333 /nfs/dbraw/zinc/09/33/33/286093333.db2.gz CILBRQQVIHETEI-QAETUUGQSA-N 2 0 338.496 1.399 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000353189151 149317626 /nfs/dbraw/zinc/31/76/26/149317626.db2.gz WLRIGVHOQKSPBG-OAHLLOKOSA-N 2 0 343.537 1.466 20 0 EDADRP Cc1nc2ccccc2n1CCC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000353335148 149369497 /nfs/dbraw/zinc/36/94/97/149369497.db2.gz JAODGZOAUFYFGA-HUUCEWRRSA-N 2 0 344.459 1.960 20 0 EDADRP CC[NH2+]CCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416965179 304356578 /nfs/dbraw/zinc/35/65/78/304356578.db2.gz CWUNYPVARPZTDI-HZPDHXFCSA-N 2 0 348.491 1.705 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416969103 304357553 /nfs/dbraw/zinc/35/75/53/304357553.db2.gz KDTDTJRRIBRJFX-QGZVFWFLSA-N 2 0 348.491 1.768 20 0 EDADRP COCC[NH2+]CCNC(=O)NC1CC[NH+](Cc2ccccc2C)CC1 ZINC000416972064 304358391 /nfs/dbraw/zinc/35/83/91/304358391.db2.gz HSVNXWAJGOBHMY-UHFFFAOYSA-N 2 0 348.491 1.495 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCCCC[NH3+])cc2)C[C@H](C)O1 ZINC000416974944 304358895 /nfs/dbraw/zinc/35/88/95/304358895.db2.gz YFGGTCAEYXSSKL-IYBDPMFKSA-N 2 0 348.491 1.834 20 0 EDADRP C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000416979228 304360245 /nfs/dbraw/zinc/36/02/45/304360245.db2.gz WUFJTEVKVXQMON-WMLDXEAASA-N 2 0 334.464 1.506 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000416980530 304360899 /nfs/dbraw/zinc/36/08/99/304360899.db2.gz BKCVDZINGDVPTD-MRXNPFEDSA-N 2 0 348.491 1.897 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000417032140 304362977 /nfs/dbraw/zinc/36/29/77/304362977.db2.gz XUKPSMIJATUUNM-KRWDZBQOSA-N 2 0 345.491 1.250 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCCC2)C1 ZINC000355730767 150378424 /nfs/dbraw/zinc/37/84/24/150378424.db2.gz GPLAVQLTXMBULH-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417035993 304364139 /nfs/dbraw/zinc/36/41/39/304364139.db2.gz SIDBUKCLSJEPGJ-TVFCKZIOSA-N 2 0 336.524 1.995 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369141 286198391 /nfs/dbraw/zinc/19/83/91/286198391.db2.gz YSEGTVRAYAPMKN-HIFRSBDPSA-N 2 0 343.493 1.341 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000357355195 151006049 /nfs/dbraw/zinc/00/60/49/151006049.db2.gz CIQIHMRQKLCLRQ-INIZCTEOSA-N 2 0 337.439 1.485 20 0 EDADRP COCC1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC[NH2+]CC1 ZINC000333629901 292239840 /nfs/dbraw/zinc/23/98/40/292239840.db2.gz GKMPCWUIZHXCAD-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)CCN1CCOCC1)c1ccccc1 ZINC000358034056 151242050 /nfs/dbraw/zinc/24/20/50/151242050.db2.gz YHQBOFXVMKQXHD-WMZOPIPTSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000358148446 151288770 /nfs/dbraw/zinc/28/87/70/151288770.db2.gz YDLUREBHDPJONF-CABCVRRESA-N 2 0 328.501 1.202 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@H](OC)C[NH+]1C ZINC000358447178 151379268 /nfs/dbraw/zinc/37/92/68/151379268.db2.gz ZARDVRFQLWJRHE-XHSDSOJGSA-N 2 0 328.501 1.467 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)c2csc(CC[NH3+])n2)CC1 ZINC000358855692 151520677 /nfs/dbraw/zinc/52/06/77/151520677.db2.gz MCPNWZKBDNWOLU-UHFFFAOYSA-N 2 0 348.476 1.750 20 0 EDADRP C[C@@H]1COCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000358981447 151558053 /nfs/dbraw/zinc/55/80/53/151558053.db2.gz GWUMMZBFQBCREC-NJAFHUGGSA-N 2 0 333.476 1.290 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417120499 304374570 /nfs/dbraw/zinc/37/45/70/304374570.db2.gz VNVNJRBUDGBAEP-HUUCEWRRSA-N 2 0 340.537 1.727 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000417118185 304374253 /nfs/dbraw/zinc/37/42/53/304374253.db2.gz RJCAMKSSBDTVCB-QGZVFWFLSA-N 2 0 334.464 1.186 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417120498 304374811 /nfs/dbraw/zinc/37/48/11/304374811.db2.gz VNVNJRBUDGBAEP-GJZGRUSLSA-N 2 0 340.537 1.727 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH+](C)C)[C@@H](C)C3)cc2)CC1 ZINC000359779076 151819211 /nfs/dbraw/zinc/81/92/11/151819211.db2.gz UBSUCVXZZDULGW-LPHOPBHVSA-N 2 0 344.503 1.851 20 0 EDADRP CC[NH+](CC)CCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000360176755 151940642 /nfs/dbraw/zinc/94/06/42/151940642.db2.gz YERMLZAPFDLRSB-UHFFFAOYSA-N 2 0 346.519 1.965 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000360413553 152028669 /nfs/dbraw/zinc/02/86/69/152028669.db2.gz LTXRSVAMOVQLMU-RDJZCZTQSA-N 2 0 342.553 1.843 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC(C)(C)O)CC1 ZINC000360470163 152057675 /nfs/dbraw/zinc/05/76/75/152057675.db2.gz RKAUZFDFGLEBMB-UHFFFAOYSA-N 2 0 335.492 1.910 20 0 EDADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360687072 152152952 /nfs/dbraw/zinc/15/29/52/152152952.db2.gz ABVLFBFVCONXFT-GJZGRUSLSA-N 2 0 342.553 1.938 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000360782257 152203104 /nfs/dbraw/zinc/20/31/04/152203104.db2.gz CCPOJSYVWBXGMT-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000360983977 152269878 /nfs/dbraw/zinc/26/98/78/152269878.db2.gz PEIXKBYUNQPCKD-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP COC(=O)C1=C(C)O[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000361233896 152342142 /nfs/dbraw/zinc/34/21/42/152342142.db2.gz FCJLRDLATKYVAT-MRXNPFEDSA-N 2 0 338.448 1.267 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)c2ccnc(-n3ccnc3)c2)CC1 ZINC000363645161 153021446 /nfs/dbraw/zinc/02/14/46/153021446.db2.gz MZJLZFPSYCWNCQ-UHFFFAOYSA-N 2 0 343.431 1.452 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccc(F)cc1 ZINC000417188436 304382424 /nfs/dbraw/zinc/38/24/24/304382424.db2.gz YRELKJRXVRPIEX-DJIMGWMZSA-N 2 0 334.439 1.822 20 0 EDADRP [NH3+]Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)co1 ZINC000364194187 153169050 /nfs/dbraw/zinc/16/90/50/153169050.db2.gz GXTCFEOBTUDPOI-XJKSGUPXSA-N 2 0 335.354 1.892 20 0 EDADRP Cc1ccncc1CCC[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000367316248 154075826 /nfs/dbraw/zinc/07/58/26/154075826.db2.gz CGMSRQVDGXIIAR-IBGZPJMESA-N 3 0 332.492 1.319 20 0 EDADRP CN(CCC[N@H+](C)Cc1cc(-c2cccnc2)n[nH]1)CC[NH+](C)C ZINC000367663466 154220383 /nfs/dbraw/zinc/22/03/83/154220383.db2.gz FVMGCWICWRYLCE-UHFFFAOYSA-N 2 0 330.480 1.787 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCN(c4nccs4)CC3)C2)CC1 ZINC000367795297 154274280 /nfs/dbraw/zinc/27/42/80/154274280.db2.gz OGNQSZWYXQOEMI-MRXNPFEDSA-N 2 0 349.548 1.870 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000368027469 154373569 /nfs/dbraw/zinc/37/35/69/154373569.db2.gz WLZKVFPEAKNTLN-ROUUACIJSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417341013 304392724 /nfs/dbraw/zinc/39/27/24/304392724.db2.gz BETLODXWXKTPRA-ZBFHGGJFSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC000417341262 304392780 /nfs/dbraw/zinc/39/27/80/304392780.db2.gz BHEXDPGZETYQMU-ZBFHGGJFSA-N 2 0 334.464 1.567 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)c1 ZINC000417395536 304396453 /nfs/dbraw/zinc/39/64/53/304396453.db2.gz FGHLVVHOEGMBOT-LJQANCHMSA-N 2 0 348.491 1.706 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417480442 304399163 /nfs/dbraw/zinc/39/91/63/304399163.db2.gz MOLITAWXFVLHHR-YJBOKZPZSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417477468 304398888 /nfs/dbraw/zinc/39/88/88/304398888.db2.gz GSZVMRGWJAVSPX-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000417485777 304399511 /nfs/dbraw/zinc/39/95/11/304399511.db2.gz XNWXYWVWTCMGTD-INIZCTEOSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000417485778 304399543 /nfs/dbraw/zinc/39/95/43/304399543.db2.gz XNWXYWVWTCMGTD-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417485696 304399591 /nfs/dbraw/zinc/39/95/91/304399591.db2.gz XAZMCUNYNXFJHY-KRWDZBQOSA-N 2 0 336.480 1.800 20 0 EDADRP C[C@@H]1C[C@@]2(C[C@@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000371960256 156184216 /nfs/dbraw/zinc/18/42/16/156184216.db2.gz NXGRGMROSYQVNV-ZHALLVOQSA-N 2 0 339.524 1.924 20 0 EDADRP CSC[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000372302113 156321217 /nfs/dbraw/zinc/32/12/17/156321217.db2.gz QPHHFGZKBYODJH-GOSISDBHSA-N 3 0 343.581 1.838 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000417523588 304403128 /nfs/dbraw/zinc/40/31/28/304403128.db2.gz IFIFTWHAZTXNCG-IAGOWNOFSA-N 2 0 348.491 1.596 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000374074753 157132074 /nfs/dbraw/zinc/13/20/74/157132074.db2.gz NCDKWGNCXHBZOB-UHFFFAOYSA-N 2 0 344.459 1.532 20 0 EDADRP Cn1cc(N2CCC[C@H](N3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)C2=O)cn1 ZINC000377855030 158011355 /nfs/dbraw/zinc/01/13/55/158011355.db2.gz IRHRUNBNMGEOPP-RANZSIQMSA-N 2 0 343.475 1.332 20 0 EDADRP CC(C)OCCN1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377970941 158043295 /nfs/dbraw/zinc/04/32/95/158043295.db2.gz QYSCIZXDFRLLEJ-SFHVURJKSA-N 2 0 343.487 1.768 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000378202662 158107872 /nfs/dbraw/zinc/10/78/72/158107872.db2.gz GVJRRVKIDCCZIT-IAGOWNOFSA-N 2 0 336.524 1.523 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CNC(=O)O3)CC2)C[C@H](C)O1 ZINC000378283248 158128895 /nfs/dbraw/zinc/12/88/95/158128895.db2.gz BUUGKCDFMMYKMW-IJEWVQPXSA-N 2 0 325.453 1.306 20 0 EDADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378429572 158171084 /nfs/dbraw/zinc/17/10/84/158171084.db2.gz MJHCAHVWTSSCLA-KRWDZBQOSA-N 2 0 325.497 1.141 20 0 EDADRP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H](c1ccccc1)[NH+](C)C ZINC000357290689 286972883 /nfs/dbraw/zinc/97/28/83/286972883.db2.gz VVWADRPFJCYWHR-CRAIPNDOSA-N 2 0 341.459 1.906 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000418186389 304461952 /nfs/dbraw/zinc/46/19/52/304461952.db2.gz RUWVMNQLEWFWLB-AEFFLSMTSA-N 2 0 347.507 1.191 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000166707067 226166375 /nfs/dbraw/zinc/16/63/75/226166375.db2.gz NCTXRVUTBQQGOW-QGZVFWFLSA-N 2 0 337.464 1.918 20 0 EDADRP [NH3+][C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000418482004 304501052 /nfs/dbraw/zinc/50/10/52/304501052.db2.gz DHPFQOPATDNJDK-MAZHCROVSA-N 2 0 338.402 1.447 20 0 EDADRP C[C@H]1COCCN1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192790699 272986544 /nfs/dbraw/zinc/98/65/44/272986544.db2.gz NBDGOEZIWABTFQ-SFHVURJKSA-N 2 0 339.524 1.532 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(CC(O)CN2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000194588617 273003778 /nfs/dbraw/zinc/00/37/78/273003778.db2.gz FWNREVZSPAUZKY-ROUUACIJSA-N 2 0 340.556 1.180 20 0 EDADRP COC(=O)CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000274589866 268165351 /nfs/dbraw/zinc/16/53/51/268165351.db2.gz JREBGOVTVKQMBK-KRWDZBQOSA-N 2 0 349.475 1.679 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972297 268253872 /nfs/dbraw/zinc/25/38/72/268253872.db2.gz YDUWKSKMNHERGR-SXLOBPIMSA-N 2 0 330.520 1.732 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000275418308 268339857 /nfs/dbraw/zinc/33/98/57/268339857.db2.gz HFJPYYAVGZHXCK-UHFFFAOYSA-N 2 0 348.491 1.433 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@H]1CC[N@H+](C)C1 ZINC000276036992 268392753 /nfs/dbraw/zinc/39/27/53/268392753.db2.gz RGSJACOKNUPBSR-INIZCTEOSA-N 2 0 346.475 1.405 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000276296878 268415215 /nfs/dbraw/zinc/41/52/15/268415215.db2.gz PXOUCMFCISXLMN-MAUKXSAKSA-N 2 0 332.492 1.882 20 0 EDADRP CC[C@@H](O)C[NH+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346221007 273724117 /nfs/dbraw/zinc/72/41/17/273724117.db2.gz NNEAYSHNGOERSL-GOSISDBHSA-N 2 0 329.448 1.464 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284549897 274241689 /nfs/dbraw/zinc/24/16/89/274241689.db2.gz BLOZSFYBKWIVTA-UHFFFAOYSA-N 2 0 330.432 1.907 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000337197621 274943766 /nfs/dbraw/zinc/94/37/66/274943766.db2.gz YTQBGRNIDCIHJS-GOSISDBHSA-N 2 0 348.466 1.502 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000356087692 276206959 /nfs/dbraw/zinc/20/69/59/276206959.db2.gz IJTKUSSSGWAQEA-AWEZNQCLSA-N 2 0 341.496 1.544 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270825777 276323153 /nfs/dbraw/zinc/32/31/53/276323153.db2.gz IRCQQEVPZBXTBN-ZWKOTPCHSA-N 2 0 333.476 1.327 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420122011 276335849 /nfs/dbraw/zinc/33/58/49/276335849.db2.gz KTPKLYAMDRPTCU-KBPBESRZSA-N 2 0 334.464 1.169 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331360517 276359430 /nfs/dbraw/zinc/35/94/30/276359430.db2.gz XXCBWIKJJVEMBF-HOTGVXAUSA-N 2 0 325.497 1.316 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158850102 277004479 /nfs/dbraw/zinc/00/44/79/277004479.db2.gz VMIMALCDWFBQTO-CABCVRRESA-N 2 0 338.496 1.807 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000265522443 277080297 /nfs/dbraw/zinc/08/02/97/277080297.db2.gz SZFWJEPKMXVCKO-WMZOPIPTSA-N 2 0 349.475 1.658 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000262636353 277105490 /nfs/dbraw/zinc/10/54/90/277105490.db2.gz HTWNMLOGOLBNNJ-ZWKOTPCHSA-N 2 0 330.476 1.091 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCOCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367618448 277172307 /nfs/dbraw/zinc/17/23/07/277172307.db2.gz SIYQGIYXZXXBMM-SQNIBIBYSA-N 2 0 330.476 1.881 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000377765921 277225979 /nfs/dbraw/zinc/22/59/79/277225979.db2.gz BQBHYENTKVLZJW-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000417828689 278018855 /nfs/dbraw/zinc/01/88/55/278018855.db2.gz FUURKCBQMCZMJC-NVXWUHKLSA-N 2 0 334.464 1.002 20 0 EDADRP CCN1CCN([C@@H]2CC[N@H+](CCC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000286453789 288009627 /nfs/dbraw/zinc/00/96/27/288009627.db2.gz OGOLUNQMTFZDKM-GOSISDBHSA-N 2 0 345.487 1.980 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000341899678 278192408 /nfs/dbraw/zinc/19/24/08/278192408.db2.gz JDVJFQLYZXFBHW-BDXSIMOUSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)[NH+]1CCc2ccccc2C1 ZINC000353415446 278274570 /nfs/dbraw/zinc/27/45/70/278274570.db2.gz PIPDNDRURIICTO-KRWDZBQOSA-N 2 0 342.487 1.994 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418679993 279039068 /nfs/dbraw/zinc/03/90/68/279039068.db2.gz FMHPPJLCMAKWIH-BPQIPLTHSA-N 2 0 330.476 1.725 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076001431 279124341 /nfs/dbraw/zinc/12/43/41/279124341.db2.gz LAPSZXGWHRZYGA-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1(COC)CC[NH2+]CC1)CC(C)C ZINC000262309651 279145921 /nfs/dbraw/zinc/14/59/21/279145921.db2.gz ABBGWBZXUIJLOV-MRXNPFEDSA-N 2 0 327.513 1.875 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])COC)c1ccccc1Cl ZINC000263228175 279147102 /nfs/dbraw/zinc/14/71/02/279147102.db2.gz HGPRBHWUXVNWHK-CABCVRRESA-N 2 0 327.856 1.813 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000078638622 279154269 /nfs/dbraw/zinc/15/42/69/279154269.db2.gz BZMSCPIFBPKKIJ-ROUUACIJSA-N 2 0 332.492 1.432 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](CO)[C@H]2CCOC2)CC1 ZINC000360771074 279375417 /nfs/dbraw/zinc/37/54/17/279375417.db2.gz HEIRHUXPMHJOCE-OALUTQOASA-N 2 0 347.503 1.563 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1C[C@H](OC)C[NH+]1C ZINC000347241648 280249082 /nfs/dbraw/zinc/24/90/82/280249082.db2.gz DPRAMHXWDJQPAU-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)[NH+]1CCC(C)CC1 ZINC000362557510 280252881 /nfs/dbraw/zinc/25/28/81/280252881.db2.gz CCLUUUDAMRRZHK-YJBOKZPZSA-N 2 0 347.507 1.973 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365664837 280321753 /nfs/dbraw/zinc/32/17/53/280321753.db2.gz ZXVXKAVMQDHXEZ-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000287411532 288232007 /nfs/dbraw/zinc/23/20/07/288232007.db2.gz XIWPDTQTQUAKKJ-RYRKJORJSA-N 2 0 348.491 1.386 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000353519771 280574708 /nfs/dbraw/zinc/57/47/08/280574708.db2.gz NTSKSDKJUUYBEM-CABCVRRESA-N 2 0 325.522 1.852 20 0 EDADRP CC[C@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000358868289 288264840 /nfs/dbraw/zinc/26/48/40/288264840.db2.gz WARLSCSFPYRGPC-IRXDYDNUSA-N 2 0 337.439 1.437 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CCCCC2)CCO1 ZINC000444180750 281229431 /nfs/dbraw/zinc/22/94/31/281229431.db2.gz IAMYOLFLFCCYGE-QFBILLFUSA-N 2 0 349.519 1.916 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289863471 288793066 /nfs/dbraw/zinc/79/30/66/288793066.db2.gz LEQADVKYIGZKCS-RBUKOAKNSA-N 2 0 344.503 1.576 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000289882786 288796585 /nfs/dbraw/zinc/79/65/85/288796585.db2.gz MFICONLOTFWSCW-INIZCTEOSA-N 2 0 333.432 1.179 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358884733 289131224 /nfs/dbraw/zinc/13/12/24/289131224.db2.gz HXUTXKLGVMRZIJ-IRXDYDNUSA-N 2 0 341.544 1.384 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)N1CCCCCC1 ZINC000340184201 289133802 /nfs/dbraw/zinc/13/38/02/289133802.db2.gz QTRXDYSCDQANJR-UHFFFAOYSA-N 2 0 346.541 1.065 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000372472701 289193170 /nfs/dbraw/zinc/19/31/70/289193170.db2.gz MYLGXMGCMDBFSK-BBWFWOEESA-N 2 0 338.496 1.080 20 0 EDADRP COCC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000361717346 292725062 /nfs/dbraw/zinc/72/50/62/292725062.db2.gz DIDWLVAWJLZLBA-TXPKVOOTSA-N 2 0 339.524 1.875 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)CC1 ZINC000416009250 289890277 /nfs/dbraw/zinc/89/02/77/289890277.db2.gz OMXAWVXDZSKBHG-OLZOCXBDSA-N 2 0 336.402 1.639 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1(C)C ZINC000497025674 290043524 /nfs/dbraw/zinc/04/35/24/290043524.db2.gz LMAVTUDGZYAFBG-UHFFFAOYSA-N 2 0 342.528 1.905 20 0 EDADRP COC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000370685335 293160732 /nfs/dbraw/zinc/16/07/32/293160732.db2.gz ZWPKFXCUUYOOLC-AEFFLSMTSA-N 2 0 325.497 1.186 20 0 EDADRP O=C(N1CCC(CC[NH+]2CCOCC2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366666650 295565814 /nfs/dbraw/zinc/56/58/14/295565814.db2.gz FDIXXXDJOMYNMC-IEBWSBKVSA-N 2 0 335.492 1.337 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418556880 304512896 /nfs/dbraw/zinc/51/28/96/304512896.db2.gz OGIMFLCUIAVVFH-WCZJQEMASA-N 2 0 346.475 1.567 20 0 EDADRP C[NH+](C)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418571819 304514112 /nfs/dbraw/zinc/51/41/12/304514112.db2.gz RZADTEWNUQRLQF-IUODEOHRSA-N 2 0 326.391 1.271 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000422011017 447306742 /nfs/dbraw/zinc/30/67/42/447306742.db2.gz CSTHBXQWXXRNDD-UHFFFAOYSA-N 2 0 348.535 1.633 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418844036 304540376 /nfs/dbraw/zinc/54/03/76/304540376.db2.gz LDCLBCATUBOZCW-INIZCTEOSA-N 2 0 346.475 1.182 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419305671 304588988 /nfs/dbraw/zinc/58/89/88/304588988.db2.gz LNZAGXRNRWEPKR-UHFFFAOYSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333918549 300325875 /nfs/dbraw/zinc/32/58/75/300325875.db2.gz OHZXVMPRUXIFNN-JKSUJKDBSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000419705809 304667665 /nfs/dbraw/zinc/66/76/65/304667665.db2.gz BTQAYGNEELYYHK-PMPSAXMXSA-N 2 0 338.496 1.001 20 0 EDADRP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000419827955 304691443 /nfs/dbraw/zinc/69/14/43/304691443.db2.gz RVVCSWSWNWSNAD-AZUAARDMSA-N 2 0 349.519 1.830 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419831293 304692366 /nfs/dbraw/zinc/69/23/66/304692366.db2.gz WYMKNBUYEANWMU-LSDHHAIUSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419641163 447313341 /nfs/dbraw/zinc/31/33/41/447313341.db2.gz KZBDBCLLZYLXOJ-YOEHRIQHSA-N 2 0 346.475 1.093 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420320227 304751199 /nfs/dbraw/zinc/75/11/99/304751199.db2.gz BBHQPBMUFSKBFW-RKYPPNDESA-N 2 0 337.508 1.708 20 0 EDADRP COC(=O)Cn1cc(CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000294732980 303140511 /nfs/dbraw/zinc/14/05/11/303140511.db2.gz GWOJEVUTYSDLOV-AWEZNQCLSA-N 2 0 344.419 1.089 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)ccc21 ZINC000295196791 303187400 /nfs/dbraw/zinc/18/74/00/303187400.db2.gz YBRDEJWAFUCLAC-YESZJQIVSA-N 2 0 326.444 1.799 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000295600433 303240170 /nfs/dbraw/zinc/24/01/70/303240170.db2.gz WZDSURJIQPMZLM-IBGZPJMESA-N 2 0 345.487 1.859 20 0 EDADRP CCn1cc([C@@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000296009890 303289769 /nfs/dbraw/zinc/28/97/69/303289769.db2.gz LDMZBZLXTMXDEA-QAPCUYQASA-N 2 0 343.475 1.973 20 0 EDADRP [NH3+]C[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1 ZINC000296313963 303310002 /nfs/dbraw/zinc/31/00/02/303310002.db2.gz GUIQDMVJMPVNFY-MRXNPFEDSA-N 2 0 325.416 1.172 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333619529 303358197 /nfs/dbraw/zinc/35/81/97/303358197.db2.gz ZEMJTUJXAQBHIV-QTXVCRJUSA-N 2 0 332.492 1.533 20 0 EDADRP [NH3+]CC1(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)CCOCC1 ZINC000375367849 303369096 /nfs/dbraw/zinc/36/90/96/303369096.db2.gz QKLMMQIKSLZSRK-UHFFFAOYSA-N 2 0 343.471 1.927 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882933 447341585 /nfs/dbraw/zinc/34/15/85/447341585.db2.gz SOXVCVRVNRNMPQ-CJNGLKHVSA-N 2 0 332.448 1.635 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000414884379 447344026 /nfs/dbraw/zinc/34/40/26/447344026.db2.gz NVSNIUGJWNXUEG-GOSISDBHSA-N 2 0 332.448 1.844 20 0 EDADRP O=C(NCCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960674 304881085 /nfs/dbraw/zinc/88/10/85/304881085.db2.gz XFKYALFEDQIHRN-RCCFBDPRSA-N 2 0 349.450 1.692 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)CCC[NH3+] ZINC000423113475 304886962 /nfs/dbraw/zinc/88/69/62/304886962.db2.gz UGTKJGXCMPXMAL-GFCCVEGCSA-N 2 0 333.885 1.644 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423373420 304893714 /nfs/dbraw/zinc/89/37/14/304893714.db2.gz BUGGKUKIXDJVMB-GDBMZVCRSA-N 2 0 325.497 1.316 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000423752230 304908248 /nfs/dbraw/zinc/90/82/48/304908248.db2.gz VRANPVVDXQZKQS-CRAIPNDOSA-N 2 0 337.414 1.855 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423847853 304912167 /nfs/dbraw/zinc/91/21/67/304912167.db2.gz RKHNTHJFKCDKPA-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)C1 ZINC000424009985 304924965 /nfs/dbraw/zinc/92/49/65/304924965.db2.gz KHILHPHJKYHSDR-MJQMVNBJSA-N 2 0 335.492 1.511 20 0 EDADRP Nc1cccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000424019464 304925621 /nfs/dbraw/zinc/92/56/21/304925621.db2.gz LSFDGQOLQBTFCD-UHFFFAOYSA-N 2 0 339.443 1.387 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037641 304925766 /nfs/dbraw/zinc/92/57/66/304925766.db2.gz KGPODZHGUORVGD-CCJAMMFBSA-N 2 0 331.435 2.000 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000429031508 305023263 /nfs/dbraw/zinc/02/32/63/305023263.db2.gz VCHZMDCOPKXVCA-UHFFFAOYSA-N 2 0 339.443 1.805 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCc2ccccc2OC)CC1 ZINC000430573852 305056518 /nfs/dbraw/zinc/05/65/18/305056518.db2.gz MXGCWMJKZPKSOW-UHFFFAOYSA-N 2 0 333.476 1.675 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000430573283 305056577 /nfs/dbraw/zinc/05/65/77/305056577.db2.gz GYVLNUDLVPNDIM-KRWDZBQOSA-N 2 0 331.460 1.948 20 0 EDADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430626754 305059916 /nfs/dbraw/zinc/05/99/16/305059916.db2.gz MCXFDABUXZJGHB-MRXNPFEDSA-N 2 0 348.466 1.535 20 0 EDADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627396 305060101 /nfs/dbraw/zinc/06/01/01/305060101.db2.gz NBVAZBCVANFYHB-HOTGVXAUSA-N 2 0 344.459 1.157 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430631257 305060477 /nfs/dbraw/zinc/06/04/77/305060477.db2.gz UCKPCGPHZUABBR-CQSZACIVSA-N 2 0 344.459 1.811 20 0 EDADRP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1CCCC[C@@H]1C ZINC000430747937 305063894 /nfs/dbraw/zinc/06/38/94/305063894.db2.gz NZHSZPOJKOXNSF-UONOGXRCSA-N 2 0 334.468 1.195 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)C(C)(C)C[NH3+])CCOCC1)c1ccccc1 ZINC000430771733 305064449 /nfs/dbraw/zinc/06/44/49/305064449.db2.gz FUMJZRSMMRGOND-HNNXBMFYSA-N 2 0 333.476 1.988 20 0 EDADRP C[NH2+]CCCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430914306 305067848 /nfs/dbraw/zinc/06/78/48/305067848.db2.gz JCBJICYXECMWHB-UHFFFAOYSA-N 2 0 346.475 1.365 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917269 305067981 /nfs/dbraw/zinc/06/79/81/305067981.db2.gz YGENKYLLEIGTLG-QZTJIDSGSA-N 2 0 349.475 1.191 20 0 EDADRP COCC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]C1 ZINC000431003918 305072619 /nfs/dbraw/zinc/07/26/19/305072619.db2.gz GOVOCSRAHHKTNM-IBGZPJMESA-N 2 0 346.475 1.178 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034107 305073182 /nfs/dbraw/zinc/07/31/82/305073182.db2.gz UIJUXIGQFKCTPH-ZDUSSCGKSA-N 2 0 330.432 1.188 20 0 EDADRP Cc1cccc(N2CCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)c1 ZINC000433161529 305102061 /nfs/dbraw/zinc/10/20/61/305102061.db2.gz KGXZGKDLLATBGO-UHFFFAOYSA-N 2 0 344.503 1.847 20 0 EDADRP Cn1cc([C@@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C(C)(C)C)cn1 ZINC000433174541 305102244 /nfs/dbraw/zinc/10/22/44/305102244.db2.gz JQCHUPBLFNWEGI-QGZVFWFLSA-N 2 0 335.496 1.827 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)[NH+](CC)CC ZINC000437957728 305179537 /nfs/dbraw/zinc/17/95/37/305179537.db2.gz SLIMTBSKXSDBIE-VVLHAWIVSA-N 2 0 325.497 1.817 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438888234 305190570 /nfs/dbraw/zinc/19/05/70/305190570.db2.gz BVVLZJKHTOZBED-PZPSRYQVSA-N 2 0 326.444 1.637 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440164310 305203997 /nfs/dbraw/zinc/20/39/97/305203997.db2.gz OIARBCHUSDHLAY-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440990453 305215954 /nfs/dbraw/zinc/21/59/54/305215954.db2.gz VXIHVRPYLUXTMB-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000444612266 305251636 /nfs/dbraw/zinc/25/16/36/305251636.db2.gz SWTYMTDAXFOSQB-BZSNNMDCSA-N 2 0 327.513 1.264 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)CCCC2)CC1 ZINC000446374496 305264013 /nfs/dbraw/zinc/26/40/13/305264013.db2.gz KXCIVWFWERCSOX-DZGCQCFKSA-N 2 0 327.444 1.226 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C[C@@H]1C ZINC000448258949 305294779 /nfs/dbraw/zinc/29/47/79/305294779.db2.gz ZVQFUDPHXWDDOZ-JYJNAYRXSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000471656616 305538090 /nfs/dbraw/zinc/53/80/90/305538090.db2.gz TTYBNYXGJGILQG-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000518164318 305759337 /nfs/dbraw/zinc/75/93/37/305759337.db2.gz MMPPJHDZJGQHQA-QZTJIDSGSA-N 3 0 331.508 1.831 20 0 EDADRP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000519538508 305769846 /nfs/dbraw/zinc/76/98/46/305769846.db2.gz PKTRHDFOGVHFQX-GFCCVEGCSA-N 2 0 327.375 1.679 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529332208 305909805 /nfs/dbraw/zinc/90/98/05/305909805.db2.gz CUOKABIOXBTXBL-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000425938321 447364661 /nfs/dbraw/zinc/36/46/61/447364661.db2.gz WVOSLJPFACYWBA-GJZGRUSLSA-N 2 0 341.496 1.354 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000422133153 447364863 /nfs/dbraw/zinc/36/48/63/447364863.db2.gz KWJPEFWBTNQDFI-HOTGVXAUSA-N 2 0 325.522 1.757 20 0 EDADRP CC(C)NC(=O)NC(=O)[C@H](C)N1CCC(Nc2ccccn2)CC1 ZINC000534126516 306003811 /nfs/dbraw/zinc/00/38/11/306003811.db2.gz SWTANBNLWOWNIS-ZDUSSCGKSA-N 2 0 333.436 1.581 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c[nH]1 ZINC000539864195 306037845 /nfs/dbraw/zinc/03/78/45/306037845.db2.gz UKQLIAHHBFLJPJ-MRXNPFEDSA-N 2 0 334.464 1.402 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913510 306041292 /nfs/dbraw/zinc/04/12/92/306041292.db2.gz RKBOVBQZIQNHEE-QYZOEREBSA-N 2 0 342.487 1.846 20 0 EDADRP C[N@H+](CCC(=O)NCCN1CCOCC1(C)C)C1CCCCC1 ZINC000548388625 306126165 /nfs/dbraw/zinc/12/61/65/306126165.db2.gz ILQYHDYWTVBICV-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000551104106 306155846 /nfs/dbraw/zinc/15/58/46/306155846.db2.gz BCEKFLSMLMKKFA-ZWKOTPCHSA-N 2 0 333.476 1.470 20 0 EDADRP C[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+]1CC(C)C1 ZINC000553084428 306182570 /nfs/dbraw/zinc/18/25/70/306182570.db2.gz JSTHTZDOFICAOQ-IXDOHACOSA-N 2 0 337.508 1.674 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000414946844 447369513 /nfs/dbraw/zinc/36/95/13/447369513.db2.gz TYZINSHIPBUQQG-YOEHRIQHSA-N 2 0 346.475 1.580 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717390 447369503 /nfs/dbraw/zinc/36/95/03/447369503.db2.gz BCNBKNNVSONQTL-JSGCOSHPSA-N 2 0 338.496 1.140 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419716895 447370126 /nfs/dbraw/zinc/37/01/26/447370126.db2.gz SFSKENCJFZXOOO-JKSUJKDBSA-N 2 0 340.512 1.199 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000458487496 447384161 /nfs/dbraw/zinc/38/41/61/447384161.db2.gz KLOLYPCFAJCYHU-UHFFFAOYSA-N 2 0 341.544 1.434 20 0 EDADRP C[C@@]1(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112705 447389632 /nfs/dbraw/zinc/38/96/32/447389632.db2.gz DFEOFYIRYZMYFE-QFBILLFUSA-N 2 0 330.476 1.795 20 0 EDADRP C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C(C)(C)C[NH+](C)C ZINC000458509064 447393724 /nfs/dbraw/zinc/39/37/24/447393724.db2.gz HVSJCXKJJNMYOJ-GJZGRUSLSA-N 2 0 328.501 1.109 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C(C)(C)C[NH+](C)C ZINC000458522765 447398892 /nfs/dbraw/zinc/39/88/92/447398892.db2.gz PPPITKOLZQLIPL-HUUCEWRRSA-N 2 0 328.501 1.109 20 0 EDADRP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811125 447427223 /nfs/dbraw/zinc/42/72/23/447427223.db2.gz HGBWMYIGRFVFKL-QUCCMNQESA-N 2 0 349.519 1.829 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)CC1 ZINC000080565233 441179097 /nfs/dbraw/zinc/17/90/97/441179097.db2.gz UIQADMYDCVPAEU-AQFXKWCLSA-N 2 0 340.512 1.347 20 0 EDADRP Cn1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(-c2cccnc2)n1 ZINC000105476154 441255807 /nfs/dbraw/zinc/25/58/07/441255807.db2.gz YHESTLXSDDDLCG-UHFFFAOYSA-N 2 0 342.491 1.599 20 0 EDADRP Cc1nnc(-c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)o1 ZINC000081354865 441255931 /nfs/dbraw/zinc/25/59/31/441255931.db2.gz VJUJLXZRYKVEPW-UHFFFAOYSA-N 2 0 345.447 1.610 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000073236885 441304049 /nfs/dbraw/zinc/30/40/49/441304049.db2.gz DMSOECIVVPQUIY-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000085367054 441434966 /nfs/dbraw/zinc/43/49/66/441434966.db2.gz HGYBRXCEJIILNA-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000113620491 441619370 /nfs/dbraw/zinc/61/93/70/441619370.db2.gz YQTBZPBWDGGGOY-KRWDZBQOSA-N 2 0 340.512 1.254 20 0 EDADRP CCOC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114485464 441663124 /nfs/dbraw/zinc/66/31/24/441663124.db2.gz XSNLOTQVVHLQPE-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP COC[C@H](O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092395449 441795367 /nfs/dbraw/zinc/79/53/67/441795367.db2.gz GSXDZVIOQOJLPQ-CYBMUJFWSA-N 2 0 327.856 1.189 20 0 EDADRP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCN(C)CC1 ZINC000121933498 441813978 /nfs/dbraw/zinc/81/39/78/441813978.db2.gz WMDPTYAOMYPWKU-IEBWSBKVSA-N 2 0 344.503 1.576 20 0 EDADRP COC(=O)c1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000123324411 441883663 /nfs/dbraw/zinc/88/36/63/441883663.db2.gz YZPZRJLGIKSGMA-BBRMVZONSA-N 2 0 333.432 1.826 20 0 EDADRP CC[C@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000124766706 441951245 /nfs/dbraw/zinc/95/12/45/441951245.db2.gz XPIATQLLZQFOAN-LJQANCHMSA-N 2 0 346.519 1.651 20 0 EDADRP Cc1cccc2nc(CN3CC[C@@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150793888 441952571 /nfs/dbraw/zinc/95/25/71/441952571.db2.gz JYLWXGBDJDANJQ-INIZCTEOSA-N 2 0 326.444 1.921 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000078682965 441963045 /nfs/dbraw/zinc/96/30/45/441963045.db2.gz QRKDHGKGDNVNAE-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000079221408 442030124 /nfs/dbraw/zinc/03/01/24/442030124.db2.gz WKMKCFCKPSWAKT-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP O=C(c1ccco1)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000151346530 442046477 /nfs/dbraw/zinc/04/64/77/442046477.db2.gz KEQHUOIYCRUPML-INIZCTEOSA-N 2 0 335.448 1.321 20 0 EDADRP CC[C@@H](C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1)[NH+](C)C ZINC000151462160 442065791 /nfs/dbraw/zinc/06/57/91/442065791.db2.gz CJWBVGHKGDKOPP-INIZCTEOSA-N 2 0 349.475 1.518 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000175729187 442112677 /nfs/dbraw/zinc/11/26/77/442112677.db2.gz PTCCMMWNCPOJDL-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000151829430 442126731 /nfs/dbraw/zinc/12/67/31/442126731.db2.gz WLFLNZDSYCSVDE-HNNXBMFYSA-N 2 0 338.496 1.101 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000162992585 442136365 /nfs/dbraw/zinc/13/63/65/442136365.db2.gz KGEKYHFCJCUQDP-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP COCCOc1ccc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127453926 442204041 /nfs/dbraw/zinc/20/40/41/442204041.db2.gz GZEBCXRPZVLRSR-IRXDYDNUSA-N 2 0 335.492 1.998 20 0 EDADRP CN(CC(=O)NCCOc1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152347791 442200318 /nfs/dbraw/zinc/20/03/18/442200318.db2.gz ZPOVPFNRDHEAOM-HNNXBMFYSA-N 2 0 337.439 1.594 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc(C(=O)N(C)C)[nH]2)C[C@@H](C)O1 ZINC000176741783 442251980 /nfs/dbraw/zinc/25/19/80/442251980.db2.gz DRZVBZXHIMFBLX-HUUCEWRRSA-N 2 0 336.480 1.696 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000165968886 442212494 /nfs/dbraw/zinc/21/24/94/442212494.db2.gz NAASPHUQOKNYKH-IBGZPJMESA-N 2 0 344.503 1.091 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000166423741 442216658 /nfs/dbraw/zinc/21/66/58/442216658.db2.gz ZOZHMNXDVFPYKP-SFHVURJKSA-N 2 0 331.460 1.523 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1C[NH2+]CCO1 ZINC000166677475 442217855 /nfs/dbraw/zinc/21/78/55/442217855.db2.gz FUMLZMSNSIKMEE-SFHVURJKSA-N 2 0 331.460 1.667 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000154325752 442332781 /nfs/dbraw/zinc/33/27/81/442332781.db2.gz ZOVHCNZPQVZQCW-QGZVFWFLSA-N 2 0 342.491 1.946 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000171898705 442388026 /nfs/dbraw/zinc/38/80/26/442388026.db2.gz OPAPELIFFLIZGX-QGZVFWFLSA-N 2 0 340.512 1.515 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000132200766 442388941 /nfs/dbraw/zinc/38/89/41/442388941.db2.gz GMUJAYHJNOMSSX-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP COC1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831752 442497686 /nfs/dbraw/zinc/49/76/86/442497686.db2.gz XXEGTPUXQSYWQA-RDJZCZTQSA-N 2 0 331.460 1.534 20 0 EDADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000178850152 442502546 /nfs/dbraw/zinc/50/25/46/442502546.db2.gz NCQGXHLTULPGSV-SFHVURJKSA-N 2 0 333.476 1.913 20 0 EDADRP C[NH+](C)CCNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000179215405 442599362 /nfs/dbraw/zinc/59/93/62/442599362.db2.gz PUOSFWUJKWZVOX-UHFFFAOYSA-N 2 0 347.507 1.450 20 0 EDADRP CC(C)Cn1ccnc1CNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000173189276 442620673 /nfs/dbraw/zinc/62/06/73/442620673.db2.gz BCSVRIUWAIFSSO-GJZGRUSLSA-N 2 0 337.468 1.448 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000192579950 442665619 /nfs/dbraw/zinc/66/56/19/442665619.db2.gz MMWJSGPWDDZZHF-UHFFFAOYSA-N 2 0 344.459 1.660 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000193317968 442732178 /nfs/dbraw/zinc/73/21/78/442732178.db2.gz XGWMNBUUWKGKNW-PBHICJAKSA-N 2 0 346.475 1.919 20 0 EDADRP CCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188105156 442712350 /nfs/dbraw/zinc/71/23/50/442712350.db2.gz QLBDCCGFLGIKCB-RTBURBONSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000181725272 442712866 /nfs/dbraw/zinc/71/28/66/442712866.db2.gz ZYZXEFWWBRKLCG-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[NH+]2CCCC2)o1 ZINC000188753638 442804791 /nfs/dbraw/zinc/80/47/91/442804791.db2.gz LMUVFEFCASMWRV-HNNXBMFYSA-N 2 0 343.431 1.524 20 0 EDADRP CCNC(=O)NC(=O)C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182755910 442819978 /nfs/dbraw/zinc/81/99/78/442819978.db2.gz LWHPMZCIJXPBTG-UHFFFAOYSA-N 2 0 326.485 1.666 20 0 EDADRP C[NH+](C[C@@H](O)C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O)C[C@@H]1CCCC[C@H]1O ZINC000248738199 442922488 /nfs/dbraw/zinc/92/24/88/442922488.db2.gz OBDJZMDQFWARIS-VPAKFMSCSA-N 2 0 342.524 1.313 20 0 EDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249352097 442967592 /nfs/dbraw/zinc/96/75/92/442967592.db2.gz QDNIIQJTBONPAA-DLBZAZTESA-N 2 0 347.459 1.433 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@H](C[NH+](CC)CC)C2)C1(C)C ZINC000249095186 442950971 /nfs/dbraw/zinc/95/09/71/442950971.db2.gz XKWOTRIKSFWHAU-HDMKZQKVSA-N 2 0 325.497 1.709 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCn2ccnn2)CC1 ZINC000184245662 443005239 /nfs/dbraw/zinc/00/52/39/443005239.db2.gz DKQHXMYVJNYEBO-UHFFFAOYSA-N 2 0 348.882 1.863 20 0 EDADRP CC(C)(O)C[NH+](CC1(C[N@@H+](CC(C)(C)O)C2CC2)COC1)C1CC1 ZINC000189918554 443029350 /nfs/dbraw/zinc/02/93/50/443029350.db2.gz LOESVIUOVWVBBQ-UHFFFAOYSA-N 2 0 340.508 1.474 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3CC[NH+](C)CC3)ccc2oc1=O ZINC000266135301 443030559 /nfs/dbraw/zinc/03/05/59/443030559.db2.gz KTLLKEYDRYDIJE-UHFFFAOYSA-N 2 0 346.431 1.436 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@H](C)C1 ZINC000266151349 443036306 /nfs/dbraw/zinc/03/63/06/443036306.db2.gz XAGXMQUBTXTFBM-CJNGLKHVSA-N 2 0 325.478 1.878 20 0 EDADRP C[C@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184605676 443048088 /nfs/dbraw/zinc/04/80/88/443048088.db2.gz UBISBUVKBVUFTN-SZMVWBNQSA-N 2 0 333.476 1.641 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770352 443103401 /nfs/dbraw/zinc/10/34/01/443103401.db2.gz POCICCOLOSWJTP-YKCBXCCJSA-N 2 0 331.504 1.724 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000261731523 443166818 /nfs/dbraw/zinc/16/68/18/443166818.db2.gz HSGKGKZFQGLUEG-IXDOHACOSA-N 2 0 337.508 1.722 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262024277 443180652 /nfs/dbraw/zinc/18/06/52/443180652.db2.gz AUUSWHNAAYQNKX-ZDUSSCGKSA-N 2 0 339.402 1.488 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000262163864 443184592 /nfs/dbraw/zinc/18/45/92/443184592.db2.gz YCHJYKAMDYOFJR-FUHWJXTLSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262223305 443186331 /nfs/dbraw/zinc/18/63/31/443186331.db2.gz FVQIEZDKMVOOAH-XJKSGUPXSA-N 2 0 325.478 1.639 20 0 EDADRP CC[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000236957187 443152754 /nfs/dbraw/zinc/15/27/54/443152754.db2.gz FWOGEHSPYVPDER-RBUKOAKNSA-N 2 0 345.487 1.708 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237037233 443156939 /nfs/dbraw/zinc/15/69/39/443156939.db2.gz QZHKREDTDPGWPI-OAHLLOKOSA-N 2 0 348.516 1.780 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)Cc1ccccc1 ZINC000237197086 443162990 /nfs/dbraw/zinc/16/29/90/443162990.db2.gz HRAWTRXBAIZUCH-PMACEKPBSA-N 2 0 337.467 1.990 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000245591564 443238593 /nfs/dbraw/zinc/23/85/93/443238593.db2.gz BCFBVPRGXQDMMW-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000262641531 443205192 /nfs/dbraw/zinc/20/51/92/443205192.db2.gz KXBGEWNHDJDYAR-LJQANCHMSA-N 2 0 344.503 1.481 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000185527699 443214450 /nfs/dbraw/zinc/21/44/50/443214450.db2.gz KXMSCVJOGLABJI-INIZCTEOSA-N 2 0 328.501 1.518 20 0 EDADRP CN1C(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C(=O)C1(C)C ZINC000349335883 319027373 /nfs/dbraw/zinc/02/73/73/319027373.db2.gz LXUXKAKHSYRRRD-UHFFFAOYSA-N 2 0 345.447 1.266 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337090 319134340 /nfs/dbraw/zinc/13/43/40/319134340.db2.gz BJVCOJTVOQHKHE-KFWWJZLASA-N 2 0 327.469 1.552 20 0 EDADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)C1CC1 ZINC000269252713 443252192 /nfs/dbraw/zinc/25/21/92/443252192.db2.gz QDWCMGBULQSXHE-SFHVURJKSA-N 2 0 341.459 1.012 20 0 EDADRP NC(=O)[C@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411713325 319198132 /nfs/dbraw/zinc/19/81/32/319198132.db2.gz AASQWRSURXDVOK-IBGZPJMESA-N 2 0 331.460 1.485 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CCC2)CC1 ZINC000411769239 319202143 /nfs/dbraw/zinc/20/21/43/319202143.db2.gz IMPRSCMGDOJLPN-QGZVFWFLSA-N 2 0 325.497 1.364 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H](C)O1 ZINC000413739593 319289642 /nfs/dbraw/zinc/28/96/42/319289642.db2.gz BQRIHPQBBODTPQ-BRWVUGGUSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000414689610 319342833 /nfs/dbraw/zinc/34/28/33/319342833.db2.gz LDPUTMFFQTZYER-RYRKJORJSA-N 2 0 331.460 1.646 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000415008870 319345190 /nfs/dbraw/zinc/34/51/90/319345190.db2.gz SSNUSKLUYBIELE-ZBFHGGJFSA-N 2 0 349.475 1.817 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000415009559 319345473 /nfs/dbraw/zinc/34/54/73/319345473.db2.gz FUDHKCUMCFDGMC-KBPBESRZSA-N 2 0 325.478 1.473 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000415972208 319386764 /nfs/dbraw/zinc/38/67/64/319386764.db2.gz MEXNWBPTWYQCOU-PBHICJAKSA-N 2 0 334.464 1.715 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[NH2+]CC1CC1 ZINC000269298812 443272030 /nfs/dbraw/zinc/27/20/30/443272030.db2.gz PNKUBWCBHGMERR-UHFFFAOYSA-N 2 0 346.475 1.775 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269278739 443264327 /nfs/dbraw/zinc/26/43/27/443264327.db2.gz ZEKJEEQEDKLZOZ-YOEHRIQHSA-N 2 0 333.432 1.334 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000269282707 443265828 /nfs/dbraw/zinc/26/58/28/443265828.db2.gz GRIIURDGEBYEJV-QGZVFWFLSA-N 2 0 334.464 1.235 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])CC(C)C ZINC000416944696 319481482 /nfs/dbraw/zinc/48/14/82/319481482.db2.gz DKSIUGUIRPXNDN-ULQDDVLXSA-N 2 0 342.528 1.891 20 0 EDADRP CCCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416947248 319482529 /nfs/dbraw/zinc/48/25/29/319482529.db2.gz PEHAWWBOMOBXBE-JYJNAYRXSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC(C)(C)CCC[NH3+] ZINC000417368106 319494731 /nfs/dbraw/zinc/49/47/31/319494731.db2.gz QQGNIECFCGTSRQ-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000186030491 443299955 /nfs/dbraw/zinc/29/99/55/443299955.db2.gz JMGPYMGBYTXTAF-SJLPKXTDSA-N 2 0 349.500 1.943 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC2CC[NH2+]CC2)cc1 ZINC000419009955 319541083 /nfs/dbraw/zinc/54/10/83/319541083.db2.gz OKRRNHLICKXGSQ-UHFFFAOYSA-N 2 0 346.475 1.013 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000269690569 443398146 /nfs/dbraw/zinc/39/81/46/443398146.db2.gz WPBDAJAWCMYTJA-UNEWFSDZSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccsc1 ZINC000278978721 443479718 /nfs/dbraw/zinc/47/97/18/443479718.db2.gz JRNMXVCULFSLMX-NHYWBVRUSA-N 2 0 333.461 1.581 20 0 EDADRP CC(C)[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCN(C)CC1 ZINC000264948946 443488414 /nfs/dbraw/zinc/48/84/14/443488414.db2.gz XQTOMVLLTUCQHT-IBGZPJMESA-N 2 0 346.519 1.750 20 0 EDADRP CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([C@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000279097892 443512788 /nfs/dbraw/zinc/51/27/88/443512788.db2.gz WZHHMJNJCPAUQJ-LBPRGKRZSA-N 2 0 342.447 1.542 20 0 EDADRP COCC1(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000423720133 319806441 /nfs/dbraw/zinc/80/64/41/319806441.db2.gz AAINDXFRMZUQBS-ULQDDVLXSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000272297900 443583639 /nfs/dbraw/zinc/58/36/39/443583639.db2.gz QGDUGGRJDDHCSH-MSOLQXFVSA-N 2 0 344.503 1.703 20 0 EDADRP CO[C@@H](C)[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276172487 443661928 /nfs/dbraw/zinc/66/19/28/443661928.db2.gz UGMRXFRNZRNOQG-HOTGVXAUSA-N 2 0 349.479 1.316 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cccc(S(C)(=O)=O)c1 ZINC000449226819 320180086 /nfs/dbraw/zinc/18/00/86/320180086.db2.gz YJYHDZKZZLHFEA-HNNXBMFYSA-N 2 0 328.478 1.537 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000457600175 320330361 /nfs/dbraw/zinc/33/03/61/320330361.db2.gz MQGVFRAYCLLWPI-INIZCTEOSA-N 2 0 335.492 1.432 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+]2CCCOCC2)[C@H](C)C1 ZINC000458853019 320343201 /nfs/dbraw/zinc/34/32/01/320343201.db2.gz VZBIFKFJEZYNON-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000471641284 320353011 /nfs/dbraw/zinc/35/30/11/320353011.db2.gz DCEOGJPWCKVEEW-CQSZACIVSA-N 2 0 328.482 1.228 20 0 EDADRP Cc1ccc(OCCCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000518517783 320458110 /nfs/dbraw/zinc/45/81/10/320458110.db2.gz OGSQBGLZAIABQC-GOSISDBHSA-N 2 0 335.492 1.352 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276689967 443792900 /nfs/dbraw/zinc/79/29/00/443792900.db2.gz UOENNNGXEKFAJS-UHFFFAOYSA-N 2 0 327.472 1.979 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000276595063 443759249 /nfs/dbraw/zinc/75/92/49/443759249.db2.gz FCADCBABZULJSI-YSVLISHTSA-N 2 0 333.432 1.069 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000288111934 443774816 /nfs/dbraw/zinc/77/48/16/443774816.db2.gz VPBFKADTSFWHDG-SZMVWBNQSA-N 2 0 348.491 1.119 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000529346529 320575337 /nfs/dbraw/zinc/57/53/37/320575337.db2.gz YOTXTGGGORZTRC-HNNXBMFYSA-N 2 0 336.480 1.025 20 0 EDADRP COc1cc(C[NH+]2CC[C@](C)(O)C2)cc(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000292751620 443835082 /nfs/dbraw/zinc/83/50/82/443835082.db2.gz WWPRYVSIJVRHCU-OALUTQOASA-N 2 0 334.460 1.609 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)n1cccn1 ZINC000530214308 320616626 /nfs/dbraw/zinc/61/66/26/320616626.db2.gz XHEFBMJXEJUPJG-SYQHCUMBSA-N 2 0 332.370 1.733 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000276840409 443847467 /nfs/dbraw/zinc/84/74/67/443847467.db2.gz IURDIRPPWNSGKQ-CQSZACIVSA-N 2 0 337.387 1.641 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293327725 443984839 /nfs/dbraw/zinc/98/48/39/443984839.db2.gz IVJLGBUKEBSTPA-MRXNPFEDSA-N 2 0 332.492 1.677 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299355485 444026371 /nfs/dbraw/zinc/02/63/71/444026371.db2.gz IQPJBFQPXXARRO-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[N@H+](C)C(C)C)CC1 ZINC000299522840 444069697 /nfs/dbraw/zinc/06/96/97/444069697.db2.gz ZIQPQYTVVYDPNU-UHFFFAOYSA-N 2 0 346.519 1.781 20 0 EDADRP CN(c1ccccc1C[N@H+](C)[C@@H]1COC[C@H]1O)C1CC[NH+](C)CC1 ZINC000289234805 444083545 /nfs/dbraw/zinc/08/35/45/444083545.db2.gz DHPIPXFIRQDFRC-RTBURBONSA-N 2 0 333.476 1.409 20 0 EDADRP CN(C)c1ncc(CNC(=O)N[C@H](c2nccn2C)C2CC2)n1C ZINC000557925622 321008994 /nfs/dbraw/zinc/00/89/94/321008994.db2.gz KBZMPABEDMGKQP-ZDUSSCGKSA-N 2 0 331.424 1.170 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](CC(N)=O)c2ccccc2)CC1 ZINC000282104029 444087405 /nfs/dbraw/zinc/08/74/05/444087405.db2.gz PKHFLDWQLLJANB-IBGZPJMESA-N 2 0 346.519 1.951 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000565539146 321190145 /nfs/dbraw/zinc/19/01/45/321190145.db2.gz VVVJSIALXYLAGL-AWEZNQCLSA-N 2 0 340.512 1.117 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000565659148 321195730 /nfs/dbraw/zinc/19/57/30/321195730.db2.gz DVWBUMZLQOVNLV-HNNXBMFYSA-N 2 0 334.464 1.810 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000566120314 321217980 /nfs/dbraw/zinc/21/79/80/321217980.db2.gz JYMJVVLZAUICAY-VJFUWPCTSA-N 2 0 349.475 1.847 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000567691188 321253045 /nfs/dbraw/zinc/25/30/45/321253045.db2.gz RGPPWSBIVUQRGV-CRAIPNDOSA-N 2 0 339.911 1.717 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000568288225 321286186 /nfs/dbraw/zinc/28/61/86/321286186.db2.gz XSFLHVVMJWCWRY-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000570667315 321353386 /nfs/dbraw/zinc/35/33/86/321353386.db2.gz AKONHXMYLSOQEF-ABHNRTSZSA-N 2 0 349.523 1.083 20 0 EDADRP Cc1cc(NC(=O)CC[N@@H+](C)CCCN(C)CC[NH+](C)C)no1 ZINC000289414000 444135728 /nfs/dbraw/zinc/13/57/28/444135728.db2.gz MAUNJYDTGBVDCX-UHFFFAOYSA-N 2 0 325.457 1.127 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(C)c1OC ZINC000285927207 444154943 /nfs/dbraw/zinc/15/49/43/444154943.db2.gz FCANUUOIDCBYEH-RHSMWYFYSA-N 2 0 336.476 1.990 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(C2CC2)nc1 ZINC000294896980 444155843 /nfs/dbraw/zinc/15/58/43/444155843.db2.gz GRUPBFSEYLWJKS-UHFFFAOYSA-N 2 0 333.480 1.700 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000574874192 321505471 /nfs/dbraw/zinc/50/54/71/321505471.db2.gz LLGBYRHUIZBDSO-WMZOPIPTSA-N 2 0 345.491 1.756 20 0 EDADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000576397316 321563123 /nfs/dbraw/zinc/56/31/23/321563123.db2.gz XPBCYPNJFIQEBL-YHWZYXNKSA-N 2 0 348.472 1.363 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000576611149 321581597 /nfs/dbraw/zinc/58/15/97/321581597.db2.gz RVQSHVQWKQSIOF-HOTGVXAUSA-N 2 0 338.427 1.106 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303268818 444236048 /nfs/dbraw/zinc/23/60/48/444236048.db2.gz JBHXIKLMDLRQEV-GJZGRUSLSA-N 2 0 327.513 1.704 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294920 444245607 /nfs/dbraw/zinc/24/56/07/444245607.db2.gz FFTFCCVNCARGRZ-ZSYWTGECSA-N 2 0 339.524 1.264 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000316213356 444309541 /nfs/dbraw/zinc/30/95/41/444309541.db2.gz SSFRMWYISUNJHB-BZUAXINKSA-N 2 0 329.510 1.122 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCN2CCNC2=O)CC1 ZINC000290432962 444280228 /nfs/dbraw/zinc/28/02/28/444280228.db2.gz VETOITNMMGNOHU-UHFFFAOYSA-N 2 0 330.476 1.856 20 0 EDADRP COCCOC[C@H](O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000311224347 444293085 /nfs/dbraw/zinc/29/30/85/444293085.db2.gz PDCDHPVRMMFOSM-HSALFYBXSA-N 2 0 348.487 1.464 20 0 EDADRP CN(c1ccccc1C[NH+]1CC(CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000297517069 444295854 /nfs/dbraw/zinc/29/58/54/444295854.db2.gz XTTDKHFFXXZUQN-UHFFFAOYSA-N 2 0 330.476 1.524 20 0 EDADRP C[NH2+]CCC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000325833295 444369670 /nfs/dbraw/zinc/36/96/70/444369670.db2.gz UVZAQLHJPKXYJX-UHFFFAOYSA-N 2 0 329.444 1.994 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000578663233 321812143 /nfs/dbraw/zinc/81/21/43/321812143.db2.gz RQAKBBVIAOIJKB-UHFFFAOYSA-N 2 0 331.460 1.563 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000578778293 321831115 /nfs/dbraw/zinc/83/11/15/321831115.db2.gz PGHRGGFAEPMUSM-UHFFFAOYSA-N 2 0 342.487 1.072 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CCSC1 ZINC000298008139 444385322 /nfs/dbraw/zinc/38/53/22/444385322.db2.gz QGZOFCXUDPLGSZ-INIZCTEOSA-N 2 0 333.461 1.571 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000579227730 321903320 /nfs/dbraw/zinc/90/33/20/321903320.db2.gz AONGHJNAJQONQB-QGZVFWFLSA-N 2 0 341.496 1.136 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)CC1 ZINC000579588281 321950949 /nfs/dbraw/zinc/95/09/49/321950949.db2.gz HCKANDOBBPFBCD-VQIMIIECSA-N 2 0 344.503 1.947 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000338048441 444499344 /nfs/dbraw/zinc/49/93/44/444499344.db2.gz DKOQOKQHWKMOLS-QGZVFWFLSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000580301822 322033330 /nfs/dbraw/zinc/03/33/30/322033330.db2.gz PFONHYMZSIBCEG-AWEZNQCLSA-N 2 0 337.489 1.877 20 0 EDADRP CCN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000581148487 322142516 /nfs/dbraw/zinc/14/25/16/322142516.db2.gz IRDKBYDNWCUKAZ-LPHOPBHVSA-N 2 0 331.460 1.176 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000581188237 322146700 /nfs/dbraw/zinc/14/67/00/322146700.db2.gz UNWJOWVVDCGBLC-SFHVURJKSA-N 2 0 330.476 1.890 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000581380228 322171197 /nfs/dbraw/zinc/17/11/97/322171197.db2.gz MEGYNPKGCISWRR-IRXDYDNUSA-N 2 0 339.505 1.874 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000581937769 322234876 /nfs/dbraw/zinc/23/48/76/322234876.db2.gz NIIDZKODWGYPJZ-MLHJIOFPSA-N 2 0 328.460 1.055 20 0 EDADRP OC[C@H]1CCCN(c2cc(N3CC[NH+](C4CCC4)CC3)ncn2)C1 ZINC000329252772 444513309 /nfs/dbraw/zinc/51/33/09/444513309.db2.gz BZVHXAFULFDYIC-HNNXBMFYSA-N 2 0 331.464 1.360 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000333010894 444628923 /nfs/dbraw/zinc/62/89/23/444628923.db2.gz SCEOCOMDHTVDNB-KZNAEPCWSA-N 2 0 335.492 1.497 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000340948426 444591007 /nfs/dbraw/zinc/59/10/07/444591007.db2.gz KHHCPKVHEVHIGD-UHFFFAOYSA-N 2 0 338.455 1.944 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341112842 444679681 /nfs/dbraw/zinc/67/96/81/444679681.db2.gz CANVZADKIOZKLD-IYBDPMFKSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123067 444640466 /nfs/dbraw/zinc/64/04/66/444640466.db2.gz ASIMQTWSLJHAQG-IEAZIUSSSA-N 2 0 336.480 1.007 20 0 EDADRP C[C@]1(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC[NH2+]C1 ZINC000333859183 444703637 /nfs/dbraw/zinc/70/36/37/444703637.db2.gz RPCRWZHKRNFTJU-BQFCYCMXSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000341185953 444716009 /nfs/dbraw/zinc/71/60/09/444716009.db2.gz BYFHZENWWRSRRB-JKSUJKDBSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(N3CCOCC3)CCCCC2)CC[C@H]1[NH3+] ZINC000333927609 444720704 /nfs/dbraw/zinc/72/07/04/444720704.db2.gz WOJPNUAOMWUAHX-HZPDHXFCSA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]12 ZINC000333941883 444724232 /nfs/dbraw/zinc/72/42/32/444724232.db2.gz PMBSPGZPKHGFCD-KZNAEPCWSA-N 2 0 328.460 1.423 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000342565299 444746836 /nfs/dbraw/zinc/74/68/36/444746836.db2.gz FRVITEKVMSNRMV-UHFFFAOYSA-N 2 0 332.492 1.932 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](CC)CC)C[C@@H]1CC ZINC000342574047 444750899 /nfs/dbraw/zinc/75/08/99/444750899.db2.gz WHADTJUNIDJOHF-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)c1ccccc1 ZINC000341275193 444757683 /nfs/dbraw/zinc/75/76/83/444757683.db2.gz CPAYOYVCGRYXDE-SJORKVTESA-N 2 0 346.475 1.135 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](C)[C@H](C)CC)C[C@@H]1CC ZINC000342658088 444800356 /nfs/dbraw/zinc/80/03/56/444800356.db2.gz PYGIJGQWHNFYOU-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H](O)CC(F)(F)F ZINC000344157671 444812543 /nfs/dbraw/zinc/81/25/43/444812543.db2.gz WDYQHQQIYCDCCX-AWEZNQCLSA-N 2 0 325.419 1.649 20 0 EDADRP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NC1CCCCC1 ZINC000338729719 444824603 /nfs/dbraw/zinc/82/46/03/444824603.db2.gz PHHDEMXTWXQWNE-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1CC ZINC000338793559 444854204 /nfs/dbraw/zinc/85/42/04/444854204.db2.gz FQHXTBCMPXFHLR-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000344253232 444864227 /nfs/dbraw/zinc/86/42/27/444864227.db2.gz NCPNWSCPFRZLCO-RDJZCZTQSA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342901336 444930259 /nfs/dbraw/zinc/93/02/59/444930259.db2.gz AZGABWBPVXFGFG-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000344451725 444982158 /nfs/dbraw/zinc/98/21/58/444982158.db2.gz WBCBCMNVQYMUDB-UHFFFAOYSA-N 2 0 333.480 1.343 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000344422458 444958412 /nfs/dbraw/zinc/95/84/12/444958412.db2.gz HCWUGBDNUWMBEC-YOEHRIQHSA-N 2 0 346.475 1.328 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000342906359 444933721 /nfs/dbraw/zinc/93/37/21/444933721.db2.gz ZWQUVTSPKCPUGZ-KSSFIOAISA-N 2 0 330.476 1.746 20 0 EDADRP CO[C@H]1C[C@H](CN(C)Cc2cn(-c3cc[nH+]cc3)nc2C)[N@H+](C)C1 ZINC000344508756 445022240 /nfs/dbraw/zinc/02/22/40/445022240.db2.gz ZDJGYCJTLPBURX-MSOLQXFVSA-N 2 0 329.448 1.727 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341882620 445051749 /nfs/dbraw/zinc/05/17/49/445051749.db2.gz JGRAGHUZRXPPLS-IRXDYDNUSA-N 2 0 325.497 1.439 20 0 EDADRP COc1cc(C)c(C[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000337382826 445056962 /nfs/dbraw/zinc/05/69/62/445056962.db2.gz JUTPAPJXVZHLFZ-HNNXBMFYSA-N 2 0 336.476 1.990 20 0 EDADRP CCN1C[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000344697563 445132994 /nfs/dbraw/zinc/13/29/94/445132994.db2.gz LJICMFXQMRYGDY-RDJZCZTQSA-N 2 0 338.540 1.543 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343177388 445118074 /nfs/dbraw/zinc/11/80/74/445118074.db2.gz KCFBQWAGEKAOJC-HOTGVXAUSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000339618196 445153181 /nfs/dbraw/zinc/15/31/81/445153181.db2.gz TUKBYMPUTDRBPZ-DJIMGWMZSA-N 2 0 346.475 1.004 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346225540 445208908 /nfs/dbraw/zinc/20/89/08/445208908.db2.gz ZRRJSMLXWRXJTR-ARFHVFGLSA-N 2 0 326.485 1.079 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)[NH+](C)C1 ZINC000346248459 445209153 /nfs/dbraw/zinc/20/91/53/445209153.db2.gz XCCOTWWMPYTOQV-YYIAUSFCSA-N 2 0 340.512 1.610 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCOC ZINC000347064203 445230737 /nfs/dbraw/zinc/23/07/37/445230737.db2.gz FHIKECDBXCUQJZ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000347519657 445240704 /nfs/dbraw/zinc/24/07/04/445240704.db2.gz QSUKPVIDAKBSQX-HOTGVXAUSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348324472 445257114 /nfs/dbraw/zinc/25/71/14/445257114.db2.gz XTSGQFRVXNOTKD-OKZBNKHCSA-N 2 0 327.513 1.170 20 0 EDADRP COC(=O)c1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cn1C ZINC000348184082 445308748 /nfs/dbraw/zinc/30/87/48/445308748.db2.gz FNXMVLFYURPSFM-UHFFFAOYSA-N 2 0 336.480 1.317 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]1C(=O)OC ZINC000351779063 445318501 /nfs/dbraw/zinc/31/85/01/445318501.db2.gz JEOFMRTULKEJCY-OAGGEKHMSA-N 2 0 339.480 1.060 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000351830008 445336165 /nfs/dbraw/zinc/33/61/65/445336165.db2.gz BTLQWEHLYZOUBN-QAPCUYQASA-N 2 0 330.476 1.243 20 0 EDADRP CC[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000354835946 445417361 /nfs/dbraw/zinc/41/73/61/445417361.db2.gz VSZIMVPMUHSNBM-LJQANCHMSA-N 2 0 347.503 1.860 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359728725 445395995 /nfs/dbraw/zinc/39/59/95/445395995.db2.gz QGXQDKSMHSBWFZ-OAHLLOKOSA-N 2 0 349.479 1.115 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)C1 ZINC000349004355 445472926 /nfs/dbraw/zinc/47/29/26/445472926.db2.gz RPGIAWHOKRMMPF-HNNXBMFYSA-N 2 0 347.459 1.724 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000362656586 445481688 /nfs/dbraw/zinc/48/16/88/445481688.db2.gz SAGVIQKYGWPUJO-NJAFHUGGSA-N 2 0 332.492 1.751 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CCCCCC1 ZINC000362565113 445442449 /nfs/dbraw/zinc/44/24/49/445442449.db2.gz RBPNVLNROMRGMP-AWEZNQCLSA-N 2 0 333.480 1.871 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000357262406 445513929 /nfs/dbraw/zinc/51/39/29/445513929.db2.gz XUVQEFDYNDUIPR-QGZVFWFLSA-N 2 0 347.459 1.156 20 0 EDADRP O=C(CN1CCC(c2c[nH]cn2)CC1)NC1CCC2(CC1)OCCO2 ZINC000360018867 445531073 /nfs/dbraw/zinc/53/10/73/445531073.db2.gz IAHANZODONVEOS-UHFFFAOYSA-N 2 0 348.447 1.391 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCS1 ZINC000362670892 445489909 /nfs/dbraw/zinc/48/99/09/445489909.db2.gz NPULNIAYESGGSH-HNNXBMFYSA-N 2 0 330.542 1.797 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362807069 445558394 /nfs/dbraw/zinc/55/83/94/445558394.db2.gz FSZFOIYFAOBKAQ-SJORKVTESA-N 2 0 345.491 1.802 20 0 EDADRP Cc1[nH+]ccc(N2CC[C@H]([N@H+](C)Cc3cc(=O)[nH]c(N)n3)C2)c1Cl ZINC000357679189 445575703 /nfs/dbraw/zinc/57/57/03/445575703.db2.gz HHVFMOJQFNNVKC-LBPRGKRZSA-N 2 0 348.838 1.832 20 0 EDADRP C[C@@H]1[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCC12CCOCC2 ZINC000349234941 445541308 /nfs/dbraw/zinc/54/13/08/445541308.db2.gz FHHGBEFRBQNPGE-HNNXBMFYSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C[NH+](C)C(C)C)C1 ZINC000358157251 445608380 /nfs/dbraw/zinc/60/83/80/445608380.db2.gz HDKAZAKKAHKEPF-HZPDHXFCSA-N 2 0 328.501 1.371 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000358515743 445627624 /nfs/dbraw/zinc/62/76/24/445627624.db2.gz AUVLPOAPLMBFBG-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353514792 445636885 /nfs/dbraw/zinc/63/68/85/445636885.db2.gz LOLBPLAECQYTOP-DLBZAZTESA-N 2 0 335.492 1.383 20 0 EDADRP C[C@@H](C[NH2+][C@@H](c1ccccc1)c1cncnc1)N1CC[NH+](C)CC1 ZINC000349450172 445591056 /nfs/dbraw/zinc/59/10/56/445591056.db2.gz GOWYBPXUUAMCGU-LPHOPBHVSA-N 2 0 325.460 1.792 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000363010403 445648618 /nfs/dbraw/zinc/64/86/18/445648618.db2.gz LVZXQGDNWUHZQI-WCXIOVBPSA-N 2 0 338.496 1.269 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000353543342 445649874 /nfs/dbraw/zinc/64/98/74/445649874.db2.gz OWDBTYXBLCLUDX-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1CCOC ZINC000358662007 445699796 /nfs/dbraw/zinc/69/97/96/445699796.db2.gz IKKYLUQTWYUEGT-KRWDZBQOSA-N 2 0 338.496 1.391 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000353695240 445712597 /nfs/dbraw/zinc/71/25/97/445712597.db2.gz HTSRYLQMEOUOQU-IBGZPJMESA-N 2 0 345.487 1.461 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353588916 445669056 /nfs/dbraw/zinc/66/90/56/445669056.db2.gz OEPWJOMGRIRACT-RCCFBDPRSA-N 2 0 345.487 1.816 20 0 EDADRP C[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000349983923 445741517 /nfs/dbraw/zinc/74/15/17/445741517.db2.gz CLFCRURYARLKGE-INIZCTEOSA-N 2 0 341.459 1.735 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCc3nccn3C2)C[C@@H](C)O1 ZINC000363266773 445747008 /nfs/dbraw/zinc/74/70/08/445747008.db2.gz WCJSVXTUKWZKLH-RBSFLKMASA-N 2 0 334.464 1.450 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000353773545 445748385 /nfs/dbraw/zinc/74/83/85/445748385.db2.gz OQRMEAHYODLFHA-LJQANCHMSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000363304851 445758922 /nfs/dbraw/zinc/75/89/22/445758922.db2.gz LGNRRGYASYHESF-YJBOKZPZSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1C[C@H](C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000356489197 445818662 /nfs/dbraw/zinc/81/86/62/445818662.db2.gz YJLXZIXRSDUDQO-LSDHHAIUSA-N 2 0 334.464 1.369 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000363481453 445823438 /nfs/dbraw/zinc/82/34/38/445823438.db2.gz SCGAIBIRDOCLMQ-VQTJNVASSA-N 2 0 331.504 1.549 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358884730 445831368 /nfs/dbraw/zinc/83/13/68/445831368.db2.gz HXUTXKLGVMRZIJ-DLBZAZTESA-N 2 0 341.544 1.384 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494398 445786931 /nfs/dbraw/zinc/78/69/31/445786931.db2.gz HCPGFZNSBAVSBA-FGTMMUONSA-N 2 0 338.540 1.782 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000353873684 445792452 /nfs/dbraw/zinc/79/24/52/445792452.db2.gz WRGJUBWBJOSCLE-NEWSRXKRSA-N 2 0 348.535 1.345 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000353887480 445798660 /nfs/dbraw/zinc/79/86/60/445798660.db2.gz JMTOEEXJFHRMEK-LSDHHAIUSA-N 2 0 347.463 1.405 20 0 EDADRP C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356459290 445801763 /nfs/dbraw/zinc/80/17/63/445801763.db2.gz OARQOGFFROTOLH-XHSDSOJGSA-N 2 0 348.491 1.900 20 0 EDADRP CC[NH2+][C@@H](C)CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000358925381 445851745 /nfs/dbraw/zinc/85/17/45/445851745.db2.gz DYPVFORMCYVJGR-KRWDZBQOSA-N 2 0 332.492 1.703 20 0 EDADRP c1cc(NCc2ccc(N3CCCC3)nc2)nc(N2CCOCC2)n1 ZINC000354075320 445887968 /nfs/dbraw/zinc/88/79/68/445887968.db2.gz JYLAXUNSDSFQPH-UHFFFAOYSA-N 2 0 340.431 1.921 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(OCCO)CC2)CC1 ZINC000354025586 445861043 /nfs/dbraw/zinc/86/10/43/445861043.db2.gz GGOIUMCWZOTTOB-UHFFFAOYSA-N 2 0 347.503 1.802 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000359085915 445934124 /nfs/dbraw/zinc/93/41/24/445934124.db2.gz BWSIQTIRDPGKKT-IEBWSBKVSA-N 2 0 344.503 1.403 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000356639744 445904460 /nfs/dbraw/zinc/90/44/60/445904460.db2.gz HIJUVYBXAMLWKH-WBVHZDCISA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1cc2c(cc1OC(F)F)OCO2 ZINC000354204510 445998082 /nfs/dbraw/zinc/99/80/82/445998082.db2.gz LYOYNAVUKDYRQY-UHFFFAOYSA-N 2 0 332.347 1.685 20 0 EDADRP CN(C[C@@H]1CC2(CC2)C(=O)O1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373010108 445973284 /nfs/dbraw/zinc/97/32/84/445973284.db2.gz BGPQXXNLXIKBIA-FXAWDEMLSA-N 2 0 344.455 1.651 20 0 EDADRP C[NH+](C)CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356747916 445985961 /nfs/dbraw/zinc/98/59/61/445985961.db2.gz XLRRLKWBFUTYOZ-SFHVURJKSA-N 2 0 345.487 1.593 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000369209911 445995477 /nfs/dbraw/zinc/99/54/77/445995477.db2.gz QPSIQIBBPPFYAH-FQEVSTJZSA-N 2 0 344.503 1.096 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H](C)C1 ZINC000361876295 446033407 /nfs/dbraw/zinc/03/34/07/446033407.db2.gz DRIQFPPZPUHKMW-SJORKVTESA-N 3 0 327.513 1.170 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[NH2+]C1 ZINC000583073766 325993423 /nfs/dbraw/zinc/99/34/23/325993423.db2.gz VJJWEZBQVFXUOJ-IBGZPJMESA-N 2 0 345.491 1.735 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000583199191 326025065 /nfs/dbraw/zinc/02/50/65/326025065.db2.gz CGXDCQLPBNYJNI-IRXDYDNUSA-N 2 0 325.497 1.066 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000583630224 326108117 /nfs/dbraw/zinc/10/81/17/326108117.db2.gz PGLFVNSWJSFNTO-OKZBNKHCSA-N 2 0 349.450 1.613 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000583801520 326141706 /nfs/dbraw/zinc/14/17/06/326141706.db2.gz OGNXLAIKIPLRAE-QRQLOZEOSA-N 2 0 344.503 1.930 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)COC2CCOCC2)c1 ZINC000583807468 326143584 /nfs/dbraw/zinc/14/35/84/326143584.db2.gz MXGCIHBHGKVDGJ-SFHVURJKSA-N 2 0 336.476 1.784 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)COc1ccc2c(c1)OCO2 ZINC000584108443 326200556 /nfs/dbraw/zinc/20/05/56/326200556.db2.gz DZFOPFYKAUAELN-HNNXBMFYSA-N 2 0 341.367 1.593 20 0 EDADRP COc1cc2c(cc1OC)CCN(C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000351440987 446065553 /nfs/dbraw/zinc/06/55/53/446065553.db2.gz JIAFRWZBUAIHBH-KRWDZBQOSA-N 2 0 334.460 1.560 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000351478106 446079629 /nfs/dbraw/zinc/07/96/29/446079629.db2.gz OVOOWAPJYQYVCA-MKVSYHDVSA-N 2 0 349.450 1.850 20 0 EDADRP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N(C)CC[NH+]1CCCC1 ZINC000354295438 446090741 /nfs/dbraw/zinc/09/07/41/446090741.db2.gz ISDATHWIXQHQHE-INIZCTEOSA-N 2 0 349.479 1.037 20 0 EDADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000369437870 446120290 /nfs/dbraw/zinc/12/02/90/446120290.db2.gz QNNCHVGCFYECDV-QZTJIDSGSA-N 2 0 330.476 1.998 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351560024 446158746 /nfs/dbraw/zinc/15/87/46/446158746.db2.gz VLUDYHQSURNDJW-KRWDZBQOSA-N 2 0 346.475 1.011 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347500 446166089 /nfs/dbraw/zinc/16/60/89/446166089.db2.gz OQINQACZFGKOOW-KURKYZTESA-N 2 0 331.460 1.174 20 0 EDADRP Cc1ccc(F)cc1C(=O)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000359365174 446176105 /nfs/dbraw/zinc/17/61/05/446176105.db2.gz VLPPMQHNZNIJOF-UHFFFAOYSA-N 2 0 349.450 1.801 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[NH+]3C2)C[C@@H]1CC ZINC000370020489 446176104 /nfs/dbraw/zinc/17/61/04/446176104.db2.gz UAJABSLKLYLYKB-FGTMMUONSA-N 2 0 337.508 1.820 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359372203 446180784 /nfs/dbraw/zinc/18/07/84/446180784.db2.gz HDOMBEJLGBRNNO-KRWDZBQOSA-N 2 0 328.460 1.581 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370164957 446187116 /nfs/dbraw/zinc/18/71/16/446187116.db2.gz UHRUMLQJIPAYMS-PMPSAXMXSA-N 2 0 345.491 1.501 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369665818 446144946 /nfs/dbraw/zinc/14/49/46/446144946.db2.gz SYJYVHZVSNTEHW-HOCLYGCPSA-N 2 0 346.479 1.850 20 0 EDADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000366329567 446155434 /nfs/dbraw/zinc/15/54/34/446155434.db2.gz YHYWEAOXTOGBSZ-SWLSCSKDSA-N 2 0 340.493 1.014 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280296 446211408 /nfs/dbraw/zinc/21/14/08/446211408.db2.gz FMRLYJSKMTTYEQ-OAGGEKHMSA-N 2 0 349.523 1.079 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000365528862 446241404 /nfs/dbraw/zinc/24/14/04/446241404.db2.gz RXYMDHWHHCKGDV-RBUKOAKNSA-N 2 0 345.487 1.979 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C[C@H]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000365557270 446254345 /nfs/dbraw/zinc/25/43/45/446254345.db2.gz NTKRYDXYKZETAT-LBPRGKRZSA-N 2 0 328.420 1.649 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000366581065 446267588 /nfs/dbraw/zinc/26/75/88/446267588.db2.gz WUQKZHISYAFPIO-IEBWSBKVSA-N 2 0 348.535 1.489 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000365625082 446277802 /nfs/dbraw/zinc/27/78/02/446277802.db2.gz UNUOSYXGVHKBOB-UHFFFAOYSA-N 2 0 332.448 1.267 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417338913 446347090 /nfs/dbraw/zinc/34/70/90/446347090.db2.gz KVAARTMCUNUJIV-OAGGEKHMSA-N 2 0 330.476 1.825 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000366713981 446320090 /nfs/dbraw/zinc/32/00/90/446320090.db2.gz OEWSOSUNPVTSTM-SFHVURJKSA-N 2 0 333.476 1.686 20 0 EDADRP CN(C(=O)CC1(O)CCCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365750838 446328202 /nfs/dbraw/zinc/32/82/02/446328202.db2.gz HZXOOSCIGJJRFP-QGZVFWFLSA-N 2 0 337.508 1.699 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417362383 446348436 /nfs/dbraw/zinc/34/84/36/446348436.db2.gz LDYQMCARYCLDTK-INIZCTEOSA-N 2 0 336.480 1.800 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000410911462 446354346 /nfs/dbraw/zinc/35/43/46/446354346.db2.gz QZOGETWUSVRUCL-UHFFFAOYSA-N 2 0 349.479 1.306 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000417515605 446359747 /nfs/dbraw/zinc/35/97/47/446359747.db2.gz LKYFGOMEBFDRCA-SJLPKXTDSA-N 2 0 348.491 1.699 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717547 446370652 /nfs/dbraw/zinc/37/06/52/446370652.db2.gz VFCJMZSSRBWGOM-IRXDYDNUSA-N 2 0 334.464 1.487 20 0 EDADRP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@@H]1[NH3+] ZINC000417840182 446374829 /nfs/dbraw/zinc/37/48/29/446374829.db2.gz RUZDMCFXEJRAJY-LJWDBELGSA-N 2 0 326.238 1.429 20 0 EDADRP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370682225 446384444 /nfs/dbraw/zinc/38/44/44/446384444.db2.gz MXOIGBMRNRXOKK-RCCFBDPRSA-N 2 0 327.513 1.434 20 0 EDADRP CCn1cncc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000417914513 446384708 /nfs/dbraw/zinc/38/47/08/446384708.db2.gz RKLIIIAWCZOBSS-UHFFFAOYSA-N 2 0 343.479 1.385 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000417944567 446394134 /nfs/dbraw/zinc/39/41/34/446394134.db2.gz CMOYQQDUYUHIHX-GLQYFDAESA-N 2 0 340.855 1.358 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1COC(C)(C)C1 ZINC000417959127 446400839 /nfs/dbraw/zinc/40/08/39/446400839.db2.gz WCCHATDJMMWRPH-SJORKVTESA-N 2 0 333.476 1.433 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000417951995 446397363 /nfs/dbraw/zinc/39/73/63/446397363.db2.gz NVIWQUXDENOEIJ-GDBMZVCRSA-N 2 0 349.479 1.291 20 0 EDADRP COC(=O)[C@@H]1CCC[NH+]1CCC(C)CC[N@H+]1CCC[C@H]1C(=O)OC ZINC000411238657 446437943 /nfs/dbraw/zinc/43/79/43/446437943.db2.gz PLXCUJFCYLUGSB-HOTGVXAUSA-N 2 0 340.464 1.678 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)C1CC1 ZINC000411239973 446440339 /nfs/dbraw/zinc/44/03/39/446440339.db2.gz GYOYEJULRSGFGL-UHFFFAOYSA-N 2 0 346.475 1.596 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000418100228 446440965 /nfs/dbraw/zinc/44/09/65/446440965.db2.gz DFMXTPDFVSYRNT-GBESFXJTSA-N 2 0 342.487 1.759 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418132016 446441149 /nfs/dbraw/zinc/44/11/49/446441149.db2.gz DJPBSXFTURZSSY-ROUUACIJSA-N 2 0 330.476 1.948 20 0 EDADRP CCOc1cc2[nH+]ccc(NC[C@@H]3C[NH2+]CCO3)c2cc1OCC ZINC000420270224 446441341 /nfs/dbraw/zinc/44/13/41/446441341.db2.gz AEDGNNGLVTZLLW-ZDUSSCGKSA-N 2 0 331.416 1.854 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000418138616 446442424 /nfs/dbraw/zinc/44/24/24/446442424.db2.gz JJKJTJURKLUGGE-ZWKOTPCHSA-N 2 0 330.476 1.934 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@@H]3CCCCN3C2=O)CC[NH2+]CC1 ZINC000423161284 446443447 /nfs/dbraw/zinc/44/34/47/446443447.db2.gz IPLGKYWCLBNHRZ-KKUMJFAQSA-N 2 0 337.464 1.051 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370736487 446408772 /nfs/dbraw/zinc/40/87/72/446408772.db2.gz DGSWCEBQQNGBLN-SJORKVTESA-N 2 0 344.459 1.430 20 0 EDADRP COC[C@@]1(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CCC[NH2+]1 ZINC000418003794 446412321 /nfs/dbraw/zinc/41/23/21/446412321.db2.gz NINGQKLWFPPXSV-WBVHZDCISA-N 2 0 326.485 1.319 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000418032926 446421099 /nfs/dbraw/zinc/42/10/99/446421099.db2.gz MUUSVMPOFIRVSM-AWEZNQCLSA-N 2 0 344.381 1.827 20 0 EDADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423205859 446454058 /nfs/dbraw/zinc/45/40/58/446454058.db2.gz PVBJFJIWCVQKIV-HKBOAZHASA-N 3 0 342.531 1.924 20 0 EDADRP C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C[NH3+] ZINC000420298322 446462576 /nfs/dbraw/zinc/46/25/76/446462576.db2.gz ZWMDDUDHDHFZTC-NJAFHUGGSA-N 2 0 332.492 1.465 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000418229869 446466266 /nfs/dbraw/zinc/46/62/66/446466266.db2.gz DJTJWAPZPYEEPZ-GOSISDBHSA-N 2 0 330.476 1.904 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420305155 446467850 /nfs/dbraw/zinc/46/78/50/446467850.db2.gz YSAJVCZMTTUUIC-SFHVURJKSA-N 3 0 332.492 1.337 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423277671 446471504 /nfs/dbraw/zinc/47/15/04/446471504.db2.gz PSEGUHIVJZXFJN-JGGQBBKZSA-N 2 0 325.478 1.715 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423285325 446472450 /nfs/dbraw/zinc/47/24/50/446472450.db2.gz ZCZZIFKGIJWZLW-DUVNUKRYSA-N 2 0 325.478 1.763 20 0 EDADRP COc1cccc(OCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000420309984 446473732 /nfs/dbraw/zinc/47/37/32/446473732.db2.gz LVGLOZMXHGOUMS-HNNXBMFYSA-N 2 0 335.448 1.394 20 0 EDADRP CCOC(=O)c1ccsc1NC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420312197 446475229 /nfs/dbraw/zinc/47/52/29/446475229.db2.gz RUADOLVQZMOKSC-DRZSPHRISA-N 2 0 337.445 1.532 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315350 446479490 /nfs/dbraw/zinc/47/94/90/446479490.db2.gz LXDGQIMFMMPGRM-ZWKOTPCHSA-N 2 0 332.492 1.609 20 0 EDADRP CCN(CCN1CC[NH2+]CC1)CC(=O)Nc1c(F)cccc1F ZINC000420317659 446483032 /nfs/dbraw/zinc/48/30/32/446483032.db2.gz NPEURXIMQFOKNT-UHFFFAOYSA-N 2 0 326.391 1.130 20 0 EDADRP [NH3+]CCCn1cc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000423311787 446483315 /nfs/dbraw/zinc/48/33/15/446483315.db2.gz QSIPVHOSXWHSBV-UHFFFAOYSA-N 2 0 342.447 1.153 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418302013 446491352 /nfs/dbraw/zinc/49/13/52/446491352.db2.gz ZOKOPNFVTVOIRV-UHFFFAOYSA-N 2 0 327.517 1.173 20 0 EDADRP COC[C@H](CCC[NH3+])N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362450 446502112 /nfs/dbraw/zinc/50/21/12/446502112.db2.gz HVSHOKBJBDRJJL-VBQJREDUSA-N 3 0 327.419 1.754 20 0 EDADRP COc1cc(C[NH+]2C[C@@H](C)[C@@H](O)C2)cc(C[N@@H+]2C[C@H](C)[C@H](O)C2)c1 ZINC000432781461 446503355 /nfs/dbraw/zinc/50/33/55/446503355.db2.gz RKCPEZQPVVMBNH-BZUPMSHVSA-N 2 0 334.460 1.320 20 0 EDADRP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc12 ZINC000420334466 446504059 /nfs/dbraw/zinc/50/40/59/446504059.db2.gz GLJBVHPSAXQZME-HOTGVXAUSA-N 2 0 326.444 1.824 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H](C)[NH3+] ZINC000423374217 446507564 /nfs/dbraw/zinc/50/75/64/446507564.db2.gz IBTMPSUGBIOKCL-MHORFTMASA-N 2 0 338.540 1.623 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420342310 446513011 /nfs/dbraw/zinc/51/30/11/446513011.db2.gz PGNADXYOAYYVJC-IAGOWNOFSA-N 2 0 331.460 1.633 20 0 EDADRP C[C@@H](O)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000411391429 446515017 /nfs/dbraw/zinc/51/50/17/446515017.db2.gz BPGWKFDGUXABQY-MRXNPFEDSA-N 2 0 325.497 1.462 20 0 EDADRP Cn1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423392130 446515125 /nfs/dbraw/zinc/51/51/25/446515125.db2.gz XLXNHRQHPYLWTB-CABCVRRESA-N 2 0 345.491 1.634 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343875 446515742 /nfs/dbraw/zinc/51/57/42/446515742.db2.gz RQCKBHQNDOVLKA-FVQBIDKESA-N 2 0 344.459 1.434 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325326 446498360 /nfs/dbraw/zinc/49/83/60/446498360.db2.gz IVPOHVRMPVCFFL-KRWDZBQOSA-N 2 0 333.480 1.545 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358921 446499414 /nfs/dbraw/zinc/49/94/14/446499414.db2.gz OGRBWXZUJLYAOP-XLMAVXFVSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000420330893 446500936 /nfs/dbraw/zinc/50/09/36/446500936.db2.gz IJVVFLPLGJHHLU-NJAFHUGGSA-N 2 0 332.492 1.465 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418488669 446562555 /nfs/dbraw/zinc/56/25/55/446562555.db2.gz LOYYNQABAHKVBS-DOTOQJQBSA-N 2 0 336.455 1.818 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420344265 446516807 /nfs/dbraw/zinc/51/68/07/446516807.db2.gz SIMSKRXCVQECSL-JKSUJKDBSA-N 2 0 344.459 1.905 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418381658 446523158 /nfs/dbraw/zinc/52/31/58/446523158.db2.gz MGIGBNIWZHXYLF-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423422626 446527833 /nfs/dbraw/zinc/52/78/33/446527833.db2.gz BRVPJDSOODHMNL-GJZGRUSLSA-N 2 0 336.484 1.257 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420353073 446531036 /nfs/dbraw/zinc/53/10/36/446531036.db2.gz BIEYSTRUMFGQJN-HNNXBMFYSA-N 2 0 328.453 1.967 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418403258 446531426 /nfs/dbraw/zinc/53/14/26/446531426.db2.gz BSXDYKORPGGMJI-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)nc1 ZINC000420390676 446567173 /nfs/dbraw/zinc/56/71/73/446567173.db2.gz ZQJKEJZVXYZCIE-IAGOWNOFSA-N 2 0 333.432 1.587 20 0 EDADRP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000411426933 446536442 /nfs/dbraw/zinc/53/64/42/446536442.db2.gz NRNFGFKEPILCCE-KRWDZBQOSA-N 2 0 332.492 1.607 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433389180 446567393 /nfs/dbraw/zinc/56/73/93/446567393.db2.gz WVFAGKAVZULAPQ-HUUCEWRRSA-N 2 0 334.468 1.007 20 0 EDADRP C[N@H+](CCCn1ccnc1)CCC(=O)Nc1ccc2c(c1)OCO2 ZINC000411432181 446539655 /nfs/dbraw/zinc/53/96/55/446539655.db2.gz YMOLYYMIWNBMDQ-UHFFFAOYSA-N 2 0 330.388 1.963 20 0 EDADRP C[C@H](CC[NH+]1CCSC[C@H]1CO)CC[N@@H+]1CCSC[C@@H]1CO ZINC000411432963 446539757 /nfs/dbraw/zinc/53/97/57/446539757.db2.gz XBLNCIXVLSKVCN-PHZGNYQRSA-N 2 0 348.578 1.222 20 0 EDADRP COCCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433168288 446540474 /nfs/dbraw/zinc/54/04/74/446540474.db2.gz RHQXNBSXWSEWLA-UHFFFAOYSA-N 2 0 335.448 1.854 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418431982 446542450 /nfs/dbraw/zinc/54/24/50/446542450.db2.gz TWQDBMGOUPKHNH-GJZGRUSLSA-N 2 0 347.463 1.439 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000453089931 446542582 /nfs/dbraw/zinc/54/25/82/446542582.db2.gz PCEQWUWAOPYKSQ-SFHVURJKSA-N 2 0 339.487 1.815 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423449044 446542919 /nfs/dbraw/zinc/54/29/19/446542919.db2.gz VVWBWNVDVBAPSM-LSDHHAIUSA-N 2 0 333.480 1.823 20 0 EDADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000423468130 446548594 /nfs/dbraw/zinc/54/85/94/446548594.db2.gz JKUJHTLCKJXYSM-KKUMJFAQSA-N 2 0 347.463 1.152 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000418459349 446549916 /nfs/dbraw/zinc/54/99/16/446549916.db2.gz YANDQAHLZYEVTB-XYPWUTKMSA-N 2 0 334.464 1.944 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCn2cc(Br)ccc2=O)CC[N@@H+]1C ZINC000453258489 446551889 /nfs/dbraw/zinc/55/18/89/446551889.db2.gz WGGJAOPQQTVZBF-YPMHNXCESA-N 2 0 328.254 1.683 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420379598 446555552 /nfs/dbraw/zinc/55/55/52/446555552.db2.gz XRONQGLLEXSQSS-OALUTQOASA-N 2 0 346.519 1.903 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCC(=O)N[C@H]2CCCc3ccccc32)CC1 ZINC000420403485 446577196 /nfs/dbraw/zinc/57/71/96/446577196.db2.gz LCSYVHPDBSPRBH-KRWDZBQOSA-N 2 0 331.460 1.356 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418535669 446583837 /nfs/dbraw/zinc/58/38/37/446583837.db2.gz HPXSBGAPZYTMFS-AXAPSJFSSA-N 2 0 338.402 1.319 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418544396 446587410 /nfs/dbraw/zinc/58/74/10/446587410.db2.gz UROQSTWJJAYYDR-AEFFLSMTSA-N 2 0 346.450 1.738 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418555385 446592201 /nfs/dbraw/zinc/59/22/01/446592201.db2.gz DOPYDYYDGXUUAX-XKQJLSEDSA-N 2 0 334.464 1.595 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000423600034 446596063 /nfs/dbraw/zinc/59/60/63/446596063.db2.gz AEEKCYJWCKXNAJ-CEXWTWQISA-N 2 0 345.487 1.688 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418576839 446601077 /nfs/dbraw/zinc/60/10/77/446601077.db2.gz YFKDJMPGWQFPGT-IFUGULHKSA-N 2 0 326.391 1.317 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418587660 446603395 /nfs/dbraw/zinc/60/33/95/446603395.db2.gz GYUSWPRIXSBZGE-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP COC[C@]1(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCC[NH2+]1 ZINC000418658006 446637049 /nfs/dbraw/zinc/63/70/49/446637049.db2.gz SCQUPXFSMMSCMK-QGZVFWFLSA-N 2 0 326.485 1.176 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000418661075 446638320 /nfs/dbraw/zinc/63/83/20/446638320.db2.gz ZVHGZDMXFTVZDJ-HLLBOEOZSA-N 2 0 334.464 1.397 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@H]2CCCSC2)CC1 ZINC000411665583 446638247 /nfs/dbraw/zinc/63/82/47/446638247.db2.gz KYMIMAGDKMDQOR-INIZCTEOSA-N 2 0 343.537 1.165 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418665166 446640917 /nfs/dbraw/zinc/64/09/17/446640917.db2.gz BXZMHGRYCKEAMI-QQXKLLMISA-N 2 0 340.471 1.368 20 0 EDADRP Cn1cc([C@@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCCN2C)cn1 ZINC000368101675 446641602 /nfs/dbraw/zinc/64/16/02/446641602.db2.gz UVENSPCLAVEYNN-GUYCJALGSA-N 2 0 339.447 1.816 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418680356 446645470 /nfs/dbraw/zinc/64/54/70/446645470.db2.gz FZIOQEFFQSOQQV-RCCFBDPRSA-N 2 0 330.476 1.724 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423711745 446653964 /nfs/dbraw/zinc/65/39/64/446653964.db2.gz CIRKAKOMXWSVSL-NUJGCVRESA-N 2 0 335.492 1.478 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000423714772 446655545 /nfs/dbraw/zinc/65/55/45/446655545.db2.gz SPURLSOIVDOKCZ-QKLQHJQFSA-N 2 0 349.519 1.996 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418723366 446656304 /nfs/dbraw/zinc/65/63/04/446656304.db2.gz NVTKNKNAKPEDEK-NCOADZHNSA-N 2 0 338.496 1.399 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000418748158 446668441 /nfs/dbraw/zinc/66/84/41/446668441.db2.gz KGBNQTMKQSGZHR-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP COc1ccc(CN2CCCN(C(=O)C[NH2+]CC3CC3)CC2)cc1 ZINC000423739862 446671252 /nfs/dbraw/zinc/67/12/52/446671252.db2.gz WQDDRLAEAXASCG-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)[C@H]2C1 ZINC000418628214 446621496 /nfs/dbraw/zinc/62/14/96/446621496.db2.gz BVFHLBYZCGYQDO-NJAFHUGGSA-N 2 0 328.460 1.609 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC000418641775 446628259 /nfs/dbraw/zinc/62/82/59/446628259.db2.gz QJSHBCSPJVGZLS-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000376651034 446629643 /nfs/dbraw/zinc/62/96/43/446629643.db2.gz JCJPMXWTVCXZMQ-BMGDILEWSA-N 2 0 331.460 1.400 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000418769264 446688361 /nfs/dbraw/zinc/68/83/61/446688361.db2.gz TUUYEOPRZFQBAB-KRWDZBQOSA-N 2 0 339.528 1.044 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)cn1 ZINC000418778651 446697395 /nfs/dbraw/zinc/69/73/95/446697395.db2.gz AOMJOCRDMCCKIQ-WBVHZDCISA-N 2 0 348.495 1.248 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1(C)C ZINC000423798626 446698554 /nfs/dbraw/zinc/69/85/54/446698554.db2.gz JFKRGTFRKLWWNX-VKJFTORMSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@@H](NC(=O)CCOC1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423882860 446740114 /nfs/dbraw/zinc/74/01/14/446740114.db2.gz XINCXCKDQLKARK-NVXWUHKLSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)COC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423902826 446754671 /nfs/dbraw/zinc/75/46/71/446754671.db2.gz MMGXVNBSINBXCK-DOTOQJQBSA-N 2 0 331.460 1.392 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)C1CCCCC1 ZINC000437826976 446762619 /nfs/dbraw/zinc/76/26/19/446762619.db2.gz FCZHLRJAYWSRFF-ROUUACIJSA-N 2 0 339.524 1.802 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390624 446766871 /nfs/dbraw/zinc/76/68/71/446766871.db2.gz HQJCXSUNNKGUIP-SJORKVTESA-N 2 0 343.537 1.102 20 0 EDADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371346728 446793489 /nfs/dbraw/zinc/79/34/89/446793489.db2.gz ZEVXNWHGLGDQDB-QGZVFWFLSA-N 2 0 338.540 1.732 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000418940700 446814689 /nfs/dbraw/zinc/81/46/89/446814689.db2.gz TXSSWFVRFWQTHE-HZPDHXFCSA-N 2 0 340.512 1.343 20 0 EDADRP COCCOCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018448 446825413 /nfs/dbraw/zinc/82/54/13/446825413.db2.gz IRBKQHBCUAWZKN-UHFFFAOYSA-N 2 0 349.475 1.149 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037644 446829392 /nfs/dbraw/zinc/82/93/92/446829392.db2.gz KGPODZHGUORVGD-SHWZHROSSA-N 2 0 331.435 2.000 20 0 EDADRP CO[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368427001 446857170 /nfs/dbraw/zinc/85/71/70/446857170.db2.gz PRIWRNVGVIPPGC-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP COC(=O)[C@@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000412111419 446867296 /nfs/dbraw/zinc/86/72/96/446867296.db2.gz VXCLYCBCQOYMGA-SFHVURJKSA-N 2 0 339.480 1.251 20 0 EDADRP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442776995 446965847 /nfs/dbraw/zinc/96/58/47/446965847.db2.gz IAHXIHDETVBTMX-FMKPAKJESA-N 2 0 347.459 1.174 20 0 EDADRP [NH3+]CCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419208227 447011099 /nfs/dbraw/zinc/01/10/99/447011099.db2.gz QXMOSFKSTPPHLH-UHFFFAOYSA-N 2 0 346.475 1.144 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[NH2+]C1 ZINC000372121854 447015726 /nfs/dbraw/zinc/01/57/26/447015726.db2.gz QOQQPVUHGGFSKS-WMZOPIPTSA-N 2 0 325.497 1.629 20 0 EDADRP OCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421017461 446987725 /nfs/dbraw/zinc/98/77/25/446987725.db2.gz NGFPGIQRBUFRKZ-REPLKXPHSA-N 2 0 342.524 1.316 20 0 EDADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443059138 447002224 /nfs/dbraw/zinc/00/22/24/447002224.db2.gz MCIAXKLYNWTZEH-OAHLLOKOSA-N 2 0 349.475 1.723 20 0 EDADRP CCCS(=O)(=O)CCN1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000375807848 447066838 /nfs/dbraw/zinc/06/68/38/447066838.db2.gz CZXUTVQBHCOGGO-HNNXBMFYSA-N 2 0 325.478 1.949 20 0 EDADRP O[C@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787440 447104940 /nfs/dbraw/zinc/10/49/40/447104940.db2.gz VXQGFBBQEPVBIM-ROUUACIJSA-N 2 0 328.456 1.600 20 0 EDADRP CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372525670 447108779 /nfs/dbraw/zinc/10/87/79/447108779.db2.gz HVQIWQJPPDVBSV-RDJZCZTQSA-N 2 0 346.475 1.547 20 0 EDADRP CCOC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000444131143 447077560 /nfs/dbraw/zinc/07/75/60/447077560.db2.gz XAGAYYFHYSMSJY-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC(=O)NC3CCOCC3)C2)c1 ZINC000377532359 447187348 /nfs/dbraw/zinc/18/73/48/447187348.db2.gz UZDXAXNCNCULDL-HNNXBMFYSA-N 2 0 332.448 1.419 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377536795 447188863 /nfs/dbraw/zinc/18/88/63/447188863.db2.gz WYZSGTNYQUEABA-IRXDYDNUSA-N 2 0 347.459 1.295 20 0 EDADRP c1cn([C@H]2CCC[N@@H+](Cc3ccc(CN4CCOCC4)cc3)C2)nn1 ZINC000425504285 447199938 /nfs/dbraw/zinc/19/99/38/447199938.db2.gz KPZZYPRGZGUBBU-IBGZPJMESA-N 2 0 341.459 1.947 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000455664387 447202250 /nfs/dbraw/zinc/20/22/50/447202250.db2.gz GBBLISMWOIALHH-UHFFFAOYSA-N 2 0 344.463 1.828 20 0 EDADRP C[C@@H]1CN(C(=O)OC2CCOCC2)CCN1C1CC[NH+](C)CC1 ZINC000377654692 447275233 /nfs/dbraw/zinc/27/52/33/447275233.db2.gz RQMQUDHTMYJFAU-CQSZACIVSA-N 2 0 325.453 1.402 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379681204 447454206 /nfs/dbraw/zinc/45/42/06/447454206.db2.gz PQQHWMHOZZIOFH-NVXWUHKLSA-N 2 0 331.460 1.534 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000458707006 447457975 /nfs/dbraw/zinc/45/79/75/447457975.db2.gz OFQVCOQKYOAOHG-SJORKVTESA-N 2 0 338.496 1.149 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)C[NH3+])c2C1 ZINC000415506535 447485391 /nfs/dbraw/zinc/48/53/91/447485391.db2.gz BDAMXTMFAHCGID-ZIAGYGMSSA-N 2 0 346.475 1.696 20 0 EDADRP O=C(CN1CC[NH2+]CC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000391015707 447508739 /nfs/dbraw/zinc/50/87/39/447508739.db2.gz YGJYOXNZQRESDR-YQQQUEKLSA-N 2 0 342.487 1.203 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCCC1 ZINC000457436738 447580838 /nfs/dbraw/zinc/58/08/38/447580838.db2.gz KFPYTXYPMAXDMV-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911111 447637480 /nfs/dbraw/zinc/63/74/80/447637480.db2.gz KOAIPXLATYULLQ-AEFFLSMTSA-N 2 0 336.480 1.277 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000459153809 447597440 /nfs/dbraw/zinc/59/74/40/447597440.db2.gz JTSIORWIONPEKU-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP CNC(=O)OC[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000495838106 447602240 /nfs/dbraw/zinc/60/22/40/447602240.db2.gz SFCUDSXOJRAKEV-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420129453 447621665 /nfs/dbraw/zinc/62/16/65/447621665.db2.gz UZIACDOAJQTHQS-HZPDHXFCSA-N 2 0 338.496 1.097 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000459254036 447622126 /nfs/dbraw/zinc/62/21/26/447622126.db2.gz HPRJLHQQQHTXKE-IAGOWNOFSA-N 2 0 338.496 1.082 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908445 447634921 /nfs/dbraw/zinc/63/49/21/447634921.db2.gz BOOAEJSDLFMMQW-QAPCUYQASA-N 2 0 336.480 1.134 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000416890802 447702953 /nfs/dbraw/zinc/70/29/53/447702953.db2.gz MITLIRFXZXTNRC-SFHVURJKSA-N 2 0 348.491 1.706 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000422585420 447655005 /nfs/dbraw/zinc/65/50/05/447655005.db2.gz CNPPGKQQBKSLIE-IRXDYDNUSA-N 2 0 344.459 1.400 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422589670 447657808 /nfs/dbraw/zinc/65/78/08/447657808.db2.gz JTNPHEFSKHJNTO-KRWDZBQOSA-N 2 0 330.476 1.697 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000416810600 447690297 /nfs/dbraw/zinc/69/02/97/447690297.db2.gz KKUPYCGUWPZSKO-HUUCEWRRSA-N 2 0 336.436 1.176 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416943663 447719310 /nfs/dbraw/zinc/71/93/10/447719310.db2.gz COIINFAQRXPXGL-CVEARBPZSA-N 2 0 326.485 1.160 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416946496 447721460 /nfs/dbraw/zinc/72/14/60/447721460.db2.gz OKXIARPQORILGJ-BZUAXINKSA-N 2 0 328.501 1.501 20 0 EDADRP CC[C@@H](NCc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422711100 447724397 /nfs/dbraw/zinc/72/43/97/447724397.db2.gz GQMASRWRFLITAR-MSOLQXFVSA-N 2 0 331.508 1.844 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000416955504 447726033 /nfs/dbraw/zinc/72/60/33/447726033.db2.gz VQYZSCAUZSCVDL-QKPAOTATSA-N 2 0 326.485 1.302 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(N(C)C)nc2)CC[NH2+]CC1 ZINC000422836982 447764485 /nfs/dbraw/zinc/76/44/85/447764485.db2.gz SKZRPFZIZYLIEJ-AWEZNQCLSA-N 2 0 334.464 1.559 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422824067 447760735 /nfs/dbraw/zinc/76/07/35/447760735.db2.gz GDZIAERHEOQDII-HUUCEWRRSA-N 2 0 336.480 1.738 20 0 EDADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000422831951 447763164 /nfs/dbraw/zinc/76/31/64/447763164.db2.gz KJVMYPGARLZCEI-HXUWFJFHSA-N 3 0 330.520 1.926 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430555631 447777683 /nfs/dbraw/zinc/77/76/83/447777683.db2.gz SOILJAAGELDOAE-FQEVSTJZSA-N 2 0 346.519 1.862 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C1CCN(C(=O)NC2CCCCC2)CC1 ZINC000422953445 447779428 /nfs/dbraw/zinc/77/94/28/447779428.db2.gz FOGSSNIJMYXYHU-KRWDZBQOSA-N 2 0 340.512 1.837 20 0 EDADRP CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422963777 447782502 /nfs/dbraw/zinc/78/25/02/447782502.db2.gz JLYMXEXSUMHREY-IRXDYDNUSA-N 2 0 345.553 1.947 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422985750 447787558 /nfs/dbraw/zinc/78/75/58/447787558.db2.gz ADVDWOODUVZQAK-DRZSPHRISA-N 2 0 333.354 1.821 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C(C)(C)C[NH3+])CC2)c1 ZINC000431022137 447789788 /nfs/dbraw/zinc/78/97/88/447789788.db2.gz FUFQCYQWJDPHRZ-UHFFFAOYSA-N 2 0 346.519 1.998 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)C1 ZINC000423029084 447793694 /nfs/dbraw/zinc/79/36/94/447793694.db2.gz HPVBKYHKJWJYTG-AABGKKOBSA-N 2 0 345.487 1.110 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489326858 447854774 /nfs/dbraw/zinc/85/47/74/447854774.db2.gz KPOLEOCXRHTBML-SJORKVTESA-N 2 0 325.497 1.578 20 0 EDADRP Cn1ncc(Br)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000487299094 447829243 /nfs/dbraw/zinc/82/92/43/447829243.db2.gz TVJUPMRSVQTABN-UHFFFAOYSA-N 2 0 344.301 1.298 20 0 EDADRP COCCn1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c2ccccc21 ZINC000575757270 447891437 /nfs/dbraw/zinc/89/14/37/447891437.db2.gz PBJUAXLGNDUJQH-AWEZNQCLSA-N 2 0 330.432 1.003 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000569822301 447899341 /nfs/dbraw/zinc/89/93/41/447899341.db2.gz HHCHGWUTULFQPV-ZWKOTPCHSA-N 2 0 330.476 1.773 20 0 EDADRP COCC1(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000569849110 447905760 /nfs/dbraw/zinc/90/57/60/447905760.db2.gz SGUMNCVNWRJRTN-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037963 447956206 /nfs/dbraw/zinc/95/62/06/447956206.db2.gz IZTGIHNVZFNOKR-SJLPKXTDSA-N 2 0 348.466 1.139 20 0 EDADRP CC[C@H](C)NC(=O)c1cccc(CNC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000576321656 448025894 /nfs/dbraw/zinc/02/58/94/448025894.db2.gz RRKDOFVAHOYDOR-KSSFIOAISA-N 2 0 333.476 1.760 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531293687 448056602 /nfs/dbraw/zinc/05/66/02/448056602.db2.gz GVCWFZDBIITQFA-HXUWFJFHSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000497306041 448059117 /nfs/dbraw/zinc/05/91/17/448059117.db2.gz PXQBWQJCMLXCDW-XKQJLSEDSA-N 2 0 333.432 1.349 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)[N@H+](C)C1 ZINC000501047577 448090756 /nfs/dbraw/zinc/09/07/56/448090756.db2.gz SZQYPRDGPPAGJC-QAETUUGQSA-N 2 0 340.512 1.610 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])Cc3ccccc3)nc2)CC1 ZINC000556790230 448153367 /nfs/dbraw/zinc/15/33/67/448153367.db2.gz HVUYCMXDKJTKLD-KRWDZBQOSA-N 2 0 339.443 1.342 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531964812 448176512 /nfs/dbraw/zinc/17/65/12/448176512.db2.gz OXAKAPLAKPMGDI-CDHAZOANSA-N 2 0 330.432 1.171 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000571625461 448181014 /nfs/dbraw/zinc/18/10/14/448181014.db2.gz CSOJQAIPNJHKDI-NXHRZFHOSA-N 2 0 346.475 1.327 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000577047284 448199841 /nfs/dbraw/zinc/19/98/41/448199841.db2.gz QNHRULFQXIPRBP-ULQDDVLXSA-N 2 0 340.512 1.504 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000514825516 448208903 /nfs/dbraw/zinc/20/89/03/448208903.db2.gz YAICSQCTZTXTCZ-SFHVURJKSA-N 2 0 335.467 1.346 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cn1 ZINC000577214543 448238384 /nfs/dbraw/zinc/23/83/84/448238384.db2.gz JHJCTPSGZDZOFJ-CRFBAAHOSA-N 2 0 346.475 1.258 20 0 EDADRP CC[NH+]1CCC([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532217420 448217753 /nfs/dbraw/zinc/21/77/53/448217753.db2.gz DRFVZLKYVKIAEJ-GOSISDBHSA-N 2 0 330.432 1.315 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000532463495 448262989 /nfs/dbraw/zinc/26/29/89/448262989.db2.gz FTMMNOYUBLGDDY-RDJZCZTQSA-N 2 0 325.460 2.485 20 0 EDADRP COC(=O)COC[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000515458645 448314789 /nfs/dbraw/zinc/31/47/89/448314789.db2.gz PXCOLXRFHVUXBI-FUHWJXTLSA-N 2 0 349.475 1.143 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000591281834 448305473 /nfs/dbraw/zinc/30/54/73/448305473.db2.gz OATHNBYKDOGKQZ-INIZCTEOSA-N 2 0 334.464 1.683 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)C2CC([NH3+])C2)CC1 ZINC000582789430 448342045 /nfs/dbraw/zinc/34/20/45/448342045.db2.gz ZHFDXZKSCCDPET-UHFFFAOYSA-N 3 0 344.503 1.451 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C2(C[NH3+])CCCC2)CCC[N@@H+]1C ZINC000515831674 448354786 /nfs/dbraw/zinc/35/47/86/448354786.db2.gz BMQQHCIXBFPBAG-GOEBONIOSA-N 2 0 333.480 1.438 20 0 EDADRP COc1ccc(CN2CC[C@@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000527798654 448362930 /nfs/dbraw/zinc/36/29/30/448362930.db2.gz RCBYXFPLVMVIDF-IAGOWNOFSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCc2cncn2C)CC1 ZINC000572254364 448328083 /nfs/dbraw/zinc/32/80/83/448328083.db2.gz MMXMOGVAIMZZRA-HDICACEKSA-N 2 0 333.524 1.843 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000591456237 448370786 /nfs/dbraw/zinc/37/07/86/448370786.db2.gz GYXMGFAICWUJJR-ROUUACIJSA-N 2 0 330.476 1.043 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H](c2nccn2C)C(F)(F)F)C1 ZINC000577766805 448383067 /nfs/dbraw/zinc/38/30/67/448383067.db2.gz KDAGLSOMXPJHKT-NWDGAFQWSA-N 2 0 348.369 1.293 20 0 EDADRP CC[N@H+](CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000533547763 448413614 /nfs/dbraw/zinc/41/36/14/448413614.db2.gz TZIYMCFHCXUSJM-LJQANCHMSA-N 2 0 344.503 1.576 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2[NH2+]CCc3ccccc32)[N@H+](C)C1 ZINC000516857153 448483135 /nfs/dbraw/zinc/48/31/35/448483135.db2.gz MZOIBOGQKJSCEZ-XYJFISCASA-N 2 0 346.475 1.234 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000516857100 448483283 /nfs/dbraw/zinc/48/32/83/448483283.db2.gz QWLCZGLFLWUVCR-XIRDDKMYSA-N 2 0 334.464 1.356 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C(=O)NC[C@@H]3CCCO3)c2)C1 ZINC000566482871 448489576 /nfs/dbraw/zinc/48/95/76/448489576.db2.gz QYCKURHHHSJRLI-KURKYZTESA-N 2 0 331.460 1.955 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000584401087 448511780 /nfs/dbraw/zinc/51/17/80/448511780.db2.gz BDVCFBYKCQJWKB-UYAOXDASSA-N 2 0 345.487 1.863 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC(=O)N2CCCC[C@@H]12 ZINC000584457275 448532485 /nfs/dbraw/zinc/53/24/85/448532485.db2.gz TVAHQRSLVCFPPY-IRXDYDNUSA-N 2 0 325.416 1.819 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000517230105 448557717 /nfs/dbraw/zinc/55/77/17/448557717.db2.gz NGWBYOVILWSIIU-DZGCQCFKSA-N 2 0 325.478 1.415 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000517368458 448575922 /nfs/dbraw/zinc/57/59/22/448575922.db2.gz ILSFDJZCCYZURF-KSZLIROESA-N 2 0 328.460 1.647 20 0 EDADRP CC[NH2+]CCCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000584519452 448553826 /nfs/dbraw/zinc/55/38/26/448553826.db2.gz NDTRGNYUOCSNNN-UHFFFAOYSA-N 2 0 347.507 1.730 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000578746103 448625592 /nfs/dbraw/zinc/62/55/92/448625592.db2.gz YTXPMROMBBIRDK-JENIJYKNSA-N 2 0 336.524 1.156 20 0 EDADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000573428491 448622915 /nfs/dbraw/zinc/62/29/15/448622915.db2.gz MWKUYCJMWVYCDE-SZMVWBNQSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000538587703 448590104 /nfs/dbraw/zinc/59/01/04/448590104.db2.gz VNGDKRCXJBPDIM-WDSOQIARSA-N 2 0 346.519 1.348 20 0 EDADRP C[C@@H](CNC(=O)NC(C)(C)CN1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000566960710 448591496 /nfs/dbraw/zinc/59/14/96/448591496.db2.gz UODOTEXHTQPYJC-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000566981177 448596424 /nfs/dbraw/zinc/59/64/24/448596424.db2.gz ZYWNRHHXUSVSAG-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000528716589 448642682 /nfs/dbraw/zinc/64/26/82/448642682.db2.gz ZFZHLVRKOOIEKH-ZDUSSCGKSA-N 2 0 330.432 1.941 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528719500 448644972 /nfs/dbraw/zinc/64/49/72/448644972.db2.gz IOEKFYLQOZNQFM-INIZCTEOSA-N 2 0 348.447 1.401 20 0 EDADRP COC(=O)CC[N@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000573556171 448657426 /nfs/dbraw/zinc/65/74/26/448657426.db2.gz LBZCJFNURNOXPS-WBVHZDCISA-N 2 0 338.423 1.912 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000578765316 448633166 /nfs/dbraw/zinc/63/31/66/448633166.db2.gz SJYMZTISJBRPDK-GOSISDBHSA-N 2 0 343.471 1.635 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000518497236 448685435 /nfs/dbraw/zinc/68/54/35/448685435.db2.gz DOXJQQYYWBFHJH-DOTOQJQBSA-N 2 0 346.475 1.835 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573786438 448711603 /nfs/dbraw/zinc/71/16/03/448711603.db2.gz JIUFIBKKPTUNAJ-QRVBRYPASA-N 2 0 343.471 1.618 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)nc2)CC1 ZINC000567780525 448761169 /nfs/dbraw/zinc/76/11/69/448761169.db2.gz WLCNQDAIGRBYGA-HNAYVOBHSA-N 2 0 343.475 1.552 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000567787541 448761920 /nfs/dbraw/zinc/76/19/20/448761920.db2.gz PRMAKXXLZZTKSS-DAYGRLMNSA-N 2 0 331.460 1.489 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000567623476 448726038 /nfs/dbraw/zinc/72/60/38/448726038.db2.gz LOTLKNXGXXVHSS-QGZVFWFLSA-N 2 0 341.496 1.007 20 0 EDADRP COC(=O)c1ccccc1CC[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592184733 448727255 /nfs/dbraw/zinc/72/72/55/448727255.db2.gz OEGLNOSLRVJWPJ-UHFFFAOYSA-N 2 0 332.444 1.812 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000579328669 448767495 /nfs/dbraw/zinc/76/74/95/448767495.db2.gz KGHPXVGKKFDWJW-CABCVRRESA-N 2 0 332.448 1.700 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CN(C)c1ccccc1 ZINC000585693986 448739567 /nfs/dbraw/zinc/73/95/67/448739567.db2.gz DBLVQZURSSRRKL-IBGZPJMESA-N 2 0 346.519 1.997 20 0 EDADRP CCCOc1ccc(OCCN2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1 ZINC000567753802 448752841 /nfs/dbraw/zinc/75/28/41/448752841.db2.gz HVAVZSLJJWWUCQ-PBHICJAKSA-N 2 0 333.432 1.098 20 0 EDADRP [NH3+]CC1(NC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000529291262 448808646 /nfs/dbraw/zinc/80/86/46/448808646.db2.gz ORLWQLANIJLTNK-KRWDZBQOSA-N 2 0 346.475 1.458 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000574170692 448809356 /nfs/dbraw/zinc/80/93/56/448809356.db2.gz RMPGYNZPAWRCLX-GDBMZVCRSA-N 2 0 325.522 1.662 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000519696727 448820475 /nfs/dbraw/zinc/82/04/75/448820475.db2.gz CLZLMNVHJWIWDV-UYAOXDASSA-N 2 0 349.519 1.596 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)NCC1C[NH2+]C1 ZINC000529336403 448830476 /nfs/dbraw/zinc/83/04/76/448830476.db2.gz NBPHRBLQDLJRJC-GOSISDBHSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000568254749 448846005 /nfs/dbraw/zinc/84/60/05/448846005.db2.gz LMNBKIYMFXOZMY-ZENOOKHLSA-N 2 0 328.403 1.567 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCC[C@H](C[NH3+])C1 ZINC000579712913 448860164 /nfs/dbraw/zinc/86/01/64/448860164.db2.gz LDRSRVKKAONFSA-JKSUJKDBSA-N 2 0 346.475 1.100 20 0 EDADRP COC[C@@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000574392068 448862324 /nfs/dbraw/zinc/86/23/24/448862324.db2.gz AZKSUOJLZLHQAZ-GOSISDBHSA-N 2 0 332.448 1.040 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592559702 448901510 /nfs/dbraw/zinc/90/15/10/448901510.db2.gz BVNZUEMFRSZSOG-ZNMIVQPWSA-N 2 0 331.464 1.418 20 0 EDADRP CN1CC[NH+](C[C@@H](O)CNc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000574513086 448890514 /nfs/dbraw/zinc/89/05/14/448890514.db2.gz GUMMLVZWKJVBMP-FQEVSTJZSA-N 2 0 346.519 1.345 20 0 EDADRP COCCN(C)C[C@H](O)C[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000574528825 448896023 /nfs/dbraw/zinc/89/60/23/448896023.db2.gz OJWDQKTYVBLFET-XHSDSOJGSA-N 2 0 344.496 1.225 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000521217153 448962861 /nfs/dbraw/zinc/96/28/61/448962861.db2.gz IJBAEZYRYSLLDZ-MSOLQXFVSA-N 2 0 348.491 1.309 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000569202892 448978442 /nfs/dbraw/zinc/97/84/42/448978442.db2.gz WDUHPRCCRQGARJ-YOEHRIQHSA-N 2 0 331.464 1.343 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739586 448944145 /nfs/dbraw/zinc/94/41/45/448944145.db2.gz RIMUENLBHMBIMK-KRWDZBQOSA-N 2 0 337.431 1.964 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CC3(C[NH3+])CC3)c2)CC1 ZINC000574986166 449005935 /nfs/dbraw/zinc/00/59/35/449005935.db2.gz YAYDEKWXQJMFAP-UHFFFAOYSA-N 2 0 344.459 1.451 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000582111797 449012369 /nfs/dbraw/zinc/01/23/69/449012369.db2.gz FWHYEUUWSVMYQD-AEFFLSMTSA-N 2 0 348.466 1.818 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956832 449077399 /nfs/dbraw/zinc/07/73/99/449077399.db2.gz ZPQBCXQLRFMNKN-DOTOQJQBSA-N 2 0 341.459 1.752 20 0 EDADRP CN(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000575109450 449037170 /nfs/dbraw/zinc/03/71/70/449037170.db2.gz ZCJIVDVDLYUQCK-VQTPCSAVSA-N 2 0 328.460 1.666 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000575172897 449053312 /nfs/dbraw/zinc/05/33/12/449053312.db2.gz SNDNNAOHNMKUQP-RDGPPVDQSA-N 2 0 337.508 1.111 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592965139 449089098 /nfs/dbraw/zinc/08/90/98/449089098.db2.gz OZDOLWGMBQZYQQ-LSDHHAIUSA-N 2 0 333.480 1.666 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240411 449092322 /nfs/dbraw/zinc/09/23/22/449092322.db2.gz LOAGPRNAKVUGEA-LJQANCHMSA-N 2 0 345.487 1.702 20 0 EDADRP C[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH3+] ZINC000593730815 449165343 /nfs/dbraw/zinc/16/53/43/449165343.db2.gz HLLAMUXFXKZCQD-MNOVXSKESA-N 2 0 338.374 1.214 20 0 EDADRP COC(=O)c1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1C ZINC000602018292 449277652 /nfs/dbraw/zinc/27/76/52/449277652.db2.gz YDWWAMYAYGBWIP-UHFFFAOYSA-N 2 0 343.431 1.571 20 0 EDADRP C[NH+]1CCC(CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000617111122 449463069 /nfs/dbraw/zinc/46/30/69/449463069.db2.gz ICNQKUNGZUJWBD-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112601 449464174 /nfs/dbraw/zinc/46/41/74/449464174.db2.gz COEWENSICNWBID-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(C3CCC3)C2=O)CC[NH2+]CC1 ZINC000600713314 449511557 /nfs/dbraw/zinc/51/15/57/449511557.db2.gz HQIIPBPOTONMLE-DZGCQCFKSA-N 2 0 337.464 1.051 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000614331353 449563991 /nfs/dbraw/zinc/56/39/91/449563991.db2.gz QJJDHLMJNRZJLT-MRXNPFEDSA-N 2 0 345.491 1.390 20 0 EDADRP CC(=O)Nc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000607229144 449588321 /nfs/dbraw/zinc/58/83/21/449588321.db2.gz FOOAKLKMQUQHGT-UHFFFAOYSA-N 2 0 349.479 1.280 20 0 EDADRP COC(=O)c1[nH]c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000602534433 449656628 /nfs/dbraw/zinc/65/66/28/449656628.db2.gz TZEOZIZUEVEYQP-UHFFFAOYSA-N 2 0 348.491 1.758 20 0 EDADRP COC(=O)c1csc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000602549113 449667700 /nfs/dbraw/zinc/66/77/00/449667700.db2.gz RDEWZPRCCANYIP-CQSZACIVSA-N 2 0 337.489 1.793 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000607690482 449636529 /nfs/dbraw/zinc/63/65/29/449636529.db2.gz UERTVDSHYHMDRN-BPQIPLTHSA-N 2 0 330.476 1.893 20 0 EDADRP O=C(CSCc1ccccn1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602601560 449697735 /nfs/dbraw/zinc/69/77/35/449697735.db2.gz KQGODELWSVDHEV-UHFFFAOYSA-N 2 0 343.456 1.758 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000617705482 449754084 /nfs/dbraw/zinc/75/40/84/449754084.db2.gz WGKMXZQIKZVCTB-QAPCUYQASA-N 2 0 331.460 1.211 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000594915421 449805873 /nfs/dbraw/zinc/80/58/73/449805873.db2.gz UJGUCDFLMYCCLF-NUEKZKHPSA-N 2 0 332.448 1.121 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000612907164 449936955 /nfs/dbraw/zinc/93/69/55/449936955.db2.gz NQBMTNXZJCAXJF-IBGZPJMESA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000617886960 449901490 /nfs/dbraw/zinc/90/14/90/449901490.db2.gz DPBWXKIOSTXZRV-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612965109 449960333 /nfs/dbraw/zinc/96/03/33/449960333.db2.gz XGYOQHSJZOHHHE-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612964559 449960520 /nfs/dbraw/zinc/96/05/20/449960520.db2.gz RHYAXDXMTIFAIM-GDBMZVCRSA-N 2 0 332.448 1.858 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000612968715 449962686 /nfs/dbraw/zinc/96/26/86/449962686.db2.gz AWAJMYFJVCMVNX-NVXWUHKLSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)Cc2ccccc2C1 ZINC000612976541 449966952 /nfs/dbraw/zinc/96/69/52/449966952.db2.gz ZJXZQHFRNSEDLQ-QGZVFWFLSA-N 2 0 342.487 1.527 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612977970 449968381 /nfs/dbraw/zinc/96/83/81/449968381.db2.gz RZFRBTXUHKIRQG-HNNXBMFYSA-N 2 0 336.505 1.963 20 0 EDADRP [NH3+]CCSCc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000603261655 450190076 /nfs/dbraw/zinc/19/00/76/450190076.db2.gz SVLKSUAMRLLMRV-KRWDZBQOSA-N 2 0 347.488 1.107 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCOC2CCOCC2)[C@H](C)C1 ZINC000625333375 450298369 /nfs/dbraw/zinc/29/83/69/450298369.db2.gz XSVSUXOIGYJJSY-AEFFLSMTSA-N 2 0 328.497 1.909 20 0 EDADRP CCc1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)no1 ZINC000623068553 450389255 /nfs/dbraw/zinc/38/92/55/450389255.db2.gz CVRQAKWDMWAZBB-UHFFFAOYSA-N 2 0 343.431 1.355 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)CC1(C)C ZINC000623783310 450583192 /nfs/dbraw/zinc/58/31/92/450583192.db2.gz JFHYCRYJZSJYBW-QZTJIDSGSA-N 2 0 332.492 1.745 20 0 EDADRP CC(C)[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000621153921 450602015 /nfs/dbraw/zinc/60/20/15/450602015.db2.gz BONVIEPVJSXMIB-LJQANCHMSA-N 2 0 344.503 1.504 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000633014199 450611004 /nfs/dbraw/zinc/61/10/04/450611004.db2.gz YCRVSIUZSDWAPM-INIZCTEOSA-N 2 0 346.475 1.459 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N)[nH+]c(N)n1 ZINC000623862308 450617733 /nfs/dbraw/zinc/61/77/33/450617733.db2.gz QSGBYEWFWUMAPA-LBPRGKRZSA-N 2 0 327.436 1.105 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000633039003 450636037 /nfs/dbraw/zinc/63/60/37/450636037.db2.gz RPKYUNSWCZZQII-GOEBONIOSA-N 2 0 344.459 1.212 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000635112471 450658148 /nfs/dbraw/zinc/65/81/48/450658148.db2.gz SQLUBJWNRUYDAF-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000631587292 450667304 /nfs/dbraw/zinc/66/73/04/450667304.db2.gz RCTLMPVPTVRTAD-MRXNPFEDSA-N 2 0 333.480 1.249 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633081508 450668634 /nfs/dbraw/zinc/66/86/34/450668634.db2.gz FSVZVDRJJZVSKD-OAHLLOKOSA-N 2 0 338.496 1.049 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2)C(C)C ZINC000627381168 450691622 /nfs/dbraw/zinc/69/16/22/450691622.db2.gz JYKLFDRHKPUDRF-HNNXBMFYSA-N 2 0 338.496 1.012 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161061 450706122 /nfs/dbraw/zinc/70/61/22/450706122.db2.gz XWOKJEQVDWVLMR-MOPGFXCFSA-N 2 0 343.471 1.584 20 0 EDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000629542266 450729096 /nfs/dbraw/zinc/72/90/96/450729096.db2.gz XJRIUCCSZQTWGB-CQSZACIVSA-N 2 0 341.477 1.243 20 0 EDADRP O=C(CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCc2ccccc21 ZINC000629562030 450737741 /nfs/dbraw/zinc/73/77/41/450737741.db2.gz MKWNXYMDETUNEI-QGZVFWFLSA-N 2 0 331.460 1.402 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)CCOc1cccc(Br)c1 ZINC000629571398 450742891 /nfs/dbraw/zinc/74/28/91/450742891.db2.gz UMYIWHRZTRJWFT-UHFFFAOYSA-N 2 0 331.254 1.996 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631758046 450753484 /nfs/dbraw/zinc/75/34/84/450753484.db2.gz PPCQAHVKRUBCMO-IYBDPMFKSA-N 2 0 333.542 1.616 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000635223981 450765753 /nfs/dbraw/zinc/76/57/53/450765753.db2.gz OQEJPUWECPFQGI-UHFFFAOYSA-N 2 0 341.496 1.058 20 0 EDADRP O=C(CN1C[C@@H]2C[C@H]1C[NH2+]2)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000631849135 450824218 /nfs/dbraw/zinc/82/42/18/450824218.db2.gz YFNBOWTUSFCZNM-IRXDYDNUSA-N 2 0 346.500 1.220 20 0 EDADRP [NH3+][C@@]12CCC[C@@H]1CN(C(=O)CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000621699271 450840219 /nfs/dbraw/zinc/84/02/19/450840219.db2.gz QFHRIJSZTPMWJR-YLJYHZDGSA-N 2 0 342.487 1.539 20 0 EDADRP Cc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(C)n1 ZINC000631821221 450797561 /nfs/dbraw/zinc/79/75/61/450797561.db2.gz RYFFYFYWHNHXDE-KRWDZBQOSA-N 2 0 330.476 1.651 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000621625060 450800611 /nfs/dbraw/zinc/80/06/11/450800611.db2.gz IGZZKTQTKKJOTR-QGZVFWFLSA-N 2 0 337.508 1.918 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCOc3ccc(C[NH3+])cc32)CC1 ZINC000631831120 450802006 /nfs/dbraw/zinc/80/20/06/450802006.db2.gz RQBALWVHCHAIBQ-UHFFFAOYSA-N 2 0 346.475 1.333 20 0 EDADRP NC(=O)c1cc(F)ccc1N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621778412 450863630 /nfs/dbraw/zinc/86/36/30/450863630.db2.gz OZHUXYGBIQKDTF-AWEZNQCLSA-N 2 0 334.439 1.436 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631917594 450877006 /nfs/dbraw/zinc/87/70/06/450877006.db2.gz SWMZLJYBGOZAKK-INIZCTEOSA-N 2 0 346.541 1.159 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631949717 450907945 /nfs/dbraw/zinc/90/79/45/450907945.db2.gz NEGYTGRWUCQJFT-QGZVFWFLSA-N 2 0 343.537 1.514 20 0 EDADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CCC1 ZINC000629978038 450930295 /nfs/dbraw/zinc/93/02/95/450930295.db2.gz GBNIEPSPXZIBSH-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000635445704 450947516 /nfs/dbraw/zinc/94/75/16/450947516.db2.gz ZJBKIYTVANKHJU-ZWKOTPCHSA-N 2 0 335.492 1.717 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000626928681 451011519 /nfs/dbraw/zinc/01/15/19/451011519.db2.gz GJTWGEKRCZTVPV-SMDDNHRTSA-N 2 0 348.413 1.782 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000626932759 451015767 /nfs/dbraw/zinc/01/57/67/451015767.db2.gz PEMILFRENMNBPI-DOTOQJQBSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626937699 451019144 /nfs/dbraw/zinc/01/91/44/451019144.db2.gz XAGOSUSKMPMYSY-OAGGEKHMSA-N 2 0 326.485 1.032 20 0 EDADRP C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000626952709 451030962 /nfs/dbraw/zinc/03/09/62/451030962.db2.gz GRRJLMRNTDAECL-HNNXBMFYSA-N 2 0 346.475 1.240 20 0 EDADRP C[C@H](CNC(=O)NCCOCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000626953347 451031612 /nfs/dbraw/zinc/03/16/12/451031612.db2.gz RCHPWCQOOPOSJU-OAHLLOKOSA-N 2 0 334.464 1.098 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000626984782 451051960 /nfs/dbraw/zinc/05/19/60/451051960.db2.gz KVHPZPWBIXYXHN-PBHICJAKSA-N 2 0 330.476 1.525 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626999405 451065020 /nfs/dbraw/zinc/06/50/20/451065020.db2.gz ZCTCOKJEFNWVLX-RFHZTLPTSA-N 2 0 348.413 1.638 20 0 EDADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000627009904 451073646 /nfs/dbraw/zinc/07/36/46/451073646.db2.gz LEASUZBUGRNVCZ-ROUUACIJSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2 ZINC000627104122 451125544 /nfs/dbraw/zinc/12/55/44/451125544.db2.gz UAZSSWIQGVGDNJ-VSLCTJTASA-N 2 0 346.519 1.781 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000627127951 451141041 /nfs/dbraw/zinc/14/10/41/451141041.db2.gz AQQSLDJWAQADIM-SJORKVTESA-N 2 0 346.475 1.882 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635657915 451143701 /nfs/dbraw/zinc/14/37/01/451143701.db2.gz GKQPDBAVBBKLMC-QZTJIDSGSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000627178688 451168149 /nfs/dbraw/zinc/16/81/49/451168149.db2.gz VYVXMTJUADIMII-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185647 451171934 /nfs/dbraw/zinc/17/19/34/451171934.db2.gz IMDVGZIHEMCLJO-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000627211430 451189104 /nfs/dbraw/zinc/18/91/04/451189104.db2.gz LTIISAZNZDLURM-UHFFFAOYSA-N 2 0 334.464 1.269 20 0 EDADRP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734538 451206184 /nfs/dbraw/zinc/20/61/84/451206184.db2.gz ONBYVTLZTCTBHU-NJAFHUGGSA-N 2 0 338.540 1.732 20 0 EDADRP C[C@@H]1[C@@H](NS(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000632339802 451210088 /nfs/dbraw/zinc/21/00/88/451210088.db2.gz GCQTTWXJEPCRKZ-WBVHZDCISA-N 2 0 339.505 1.521 20 0 EDADRP COC[C@]1(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCCC[NH2+]1 ZINC000638083423 451247316 /nfs/dbraw/zinc/24/73/16/451247316.db2.gz LNHFNDUZHVYQAW-KONPQCLYSA-N 2 0 325.497 1.628 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638095507 451261360 /nfs/dbraw/zinc/26/13/60/451261360.db2.gz UKVIEZGEHHYHHP-QZTJIDSGSA-N 2 0 330.476 1.142 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000638099598 451265690 /nfs/dbraw/zinc/26/56/90/451265690.db2.gz HXODXZDRMDCVTQ-ALKREAHSSA-N 2 0 333.476 1.999 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638101740 451267099 /nfs/dbraw/zinc/26/70/99/451267099.db2.gz RHNAZTCZXOZNMY-GOSISDBHSA-N 2 0 327.472 1.962 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638109939 451276196 /nfs/dbraw/zinc/27/61/96/451276196.db2.gz XWJWFNBBSPEVJD-FUHWJXTLSA-N 2 0 335.448 1.723 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000638130589 451301664 /nfs/dbraw/zinc/30/16/64/451301664.db2.gz KYAZRJUJBKMCIY-MJGOQNOKSA-N 2 0 345.487 1.755 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000638133606 451305849 /nfs/dbraw/zinc/30/58/49/451305849.db2.gz JRNWXVUCXKVNKP-KRWDZBQOSA-N 2 0 326.400 1.439 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000638136128 451307989 /nfs/dbraw/zinc/30/79/89/451307989.db2.gz XGASSOMLWJJQLI-MRXNPFEDSA-N 2 0 343.471 1.056 20 0 EDADRP CC[N@@H+]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1C ZINC000640444586 451321904 /nfs/dbraw/zinc/32/19/04/451321904.db2.gz FWZMDBRERFTAKW-AWEZNQCLSA-N 2 0 334.468 1.708 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638204148 451353764 /nfs/dbraw/zinc/35/37/64/451353764.db2.gz CEVGZXUPZKSTKP-JSGCOSHPSA-N 2 0 345.447 1.174 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000638249942 451381039 /nfs/dbraw/zinc/38/10/39/451381039.db2.gz AQJHBHHRLMDDJJ-RYRKJORJSA-N 2 0 331.460 1.933 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1)C(F)F ZINC000638257977 451384010 /nfs/dbraw/zinc/38/40/10/451384010.db2.gz DPZMLAVSMDSVFU-ZJUUUORDSA-N 2 0 325.281 1.804 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000635902260 451344985 /nfs/dbraw/zinc/34/49/85/451344985.db2.gz JZXONBMNSUFCCF-SJLPKXTDSA-N 2 0 335.492 1.574 20 0 EDADRP C[C@@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)c1ncc[nH]1 ZINC000635951025 451390965 /nfs/dbraw/zinc/39/09/65/451390965.db2.gz BJMQUKOSEVOIFH-LLVKDONJSA-N 2 0 342.403 1.518 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000638276426 451395273 /nfs/dbraw/zinc/39/52/73/451395273.db2.gz FDHALSLUTKLZBK-HNNXBMFYSA-N 2 0 334.464 1.289 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000638284758 451401144 /nfs/dbraw/zinc/40/11/44/451401144.db2.gz CSBASCVLAFVWET-GDAAHCPNSA-N 2 0 345.487 1.862 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)C1 ZINC000640569114 451413156 /nfs/dbraw/zinc/41/31/56/451413156.db2.gz HPOQEHGJYKGKCK-KBPBESRZSA-N 2 0 335.452 1.062 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638369206 451466497 /nfs/dbraw/zinc/46/64/97/451466497.db2.gz FSNXPCZUOPAJRG-UHFFFAOYSA-N 2 0 329.466 1.529 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCCc3cnn(C)c3)cn2)CC1 ZINC000638372899 451469025 /nfs/dbraw/zinc/46/90/25/451469025.db2.gz GYNOOALXNNVRAR-UHFFFAOYSA-N 2 0 342.491 1.679 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCc3ccccc3[C@H]2C[NH3+])cn1 ZINC000638373406 451470978 /nfs/dbraw/zinc/47/09/78/451470978.db2.gz QQYGIFIHJHWCBL-QGZVFWFLSA-N 2 0 327.432 1.143 20 0 EDADRP O[C@]1(CNC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700875 451473646 /nfs/dbraw/zinc/47/36/46/451473646.db2.gz GUAIZHDAEDQBPE-QUCCMNQESA-N 2 0 329.488 1.697 20 0 EDADRP O[C@H](C[NH2+]CCCCC[NH+]1CCCCC1)CC1(O)CCOCC1 ZINC000634705175 451481469 /nfs/dbraw/zinc/48/14/69/451481469.db2.gz WAHGAFZRVNPOHL-KRWDZBQOSA-N 2 0 328.497 1.525 20 0 EDADRP Cc1nocc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638343805 451447609 /nfs/dbraw/zinc/44/76/09/451447609.db2.gz MIEUKOVNBRAXRI-UHFFFAOYSA-N 2 0 328.416 1.706 20 0 EDADRP [NH3+]C1(CNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCCC1 ZINC000638408781 451496194 /nfs/dbraw/zinc/49/61/94/451496194.db2.gz DXQDTAKKMPWBLG-UHFFFAOYSA-N 2 0 344.503 1.758 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000638412292 451497758 /nfs/dbraw/zinc/49/77/58/451497758.db2.gz WUYVIQIROKKXIH-SUYBPPKGSA-N 2 0 337.414 1.868 20 0 EDADRP CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)[NH+](C)C ZINC000638413599 451499551 /nfs/dbraw/zinc/49/95/51/451499551.db2.gz AWVMKKAZWPIMNG-BMFZPTHFSA-N 2 0 337.439 1.736 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765538 451533957 /nfs/dbraw/zinc/53/39/57/451533957.db2.gz VQIIYNUNXOTKOP-USXIJHARSA-N 2 0 333.476 1.813 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)[NH3+] ZINC000638526747 451558918 /nfs/dbraw/zinc/55/89/18/451558918.db2.gz PANSLIUAYGMVOV-CZUORRHYSA-N 2 0 334.464 1.536 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC[C@H]1C(F)(F)F ZINC000638561022 451577847 /nfs/dbraw/zinc/57/78/47/451577847.db2.gz FTHUVKTWEIIIRE-WDEREUQCSA-N 2 0 347.406 1.993 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638572806 451583736 /nfs/dbraw/zinc/58/37/36/451583736.db2.gz ZEOKLAXINYIRJM-RBUKOAKNSA-N 2 0 344.503 1.846 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000636239470 451610789 /nfs/dbraw/zinc/61/07/89/451610789.db2.gz IDOPKGOXBMKGQX-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997845 451640778 /nfs/dbraw/zinc/64/07/78/451640778.db2.gz URJNEINCXKXNJP-JKSUJKDBSA-N 3 0 334.512 1.230 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cnn(CC[NH+](C)C)c1)C1CCCCC1 ZINC000631231936 451652743 /nfs/dbraw/zinc/65/27/43/451652743.db2.gz YPKKLNCBSQXZPU-UHFFFAOYSA-N 2 0 335.496 1.781 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000638764273 451683714 /nfs/dbraw/zinc/68/37/14/451683714.db2.gz SNCSZMVLSHELNL-ZWKOTPCHSA-N 2 0 339.524 1.455 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779271 451687937 /nfs/dbraw/zinc/68/79/37/451687937.db2.gz JDDHHYQTWMNBEX-FJIDUMEYSA-N 2 0 335.492 1.524 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785142 451691222 /nfs/dbraw/zinc/69/12/22/451691222.db2.gz LWRRQJPWPWCBGU-GOSISDBHSA-N 2 0 345.487 1.679 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000638860312 451713629 /nfs/dbraw/zinc/71/36/29/451713629.db2.gz YRFCEQSRWVIWHM-UHFFFAOYSA-N 2 0 327.472 1.960 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncc2n1CCCC2 ZINC000631267174 451670938 /nfs/dbraw/zinc/67/09/38/451670938.db2.gz CRJUTMPYTSWMBL-UHFFFAOYSA-N 2 0 335.496 1.565 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000638977119 451744276 /nfs/dbraw/zinc/74/42/76/451744276.db2.gz IPBIJKZDZJFOKA-QGZVFWFLSA-N 2 0 343.431 1.797 20 0 EDADRP CC(C)(C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)N1CCOCC1 ZINC000638976478 451744382 /nfs/dbraw/zinc/74/43/82/451744382.db2.gz INFWMVZXEKDBKN-LJQANCHMSA-N 2 0 347.503 1.454 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000638980411 451744926 /nfs/dbraw/zinc/74/49/26/451744926.db2.gz MBALZWUYXPIMMO-CQSZACIVSA-N 2 0 334.468 1.149 20 0 EDADRP CC(C)NC(=O)CCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986537 451747468 /nfs/dbraw/zinc/74/74/68/451747468.db2.gz SOXPVSILOUNWLB-UHFFFAOYSA-N 2 0 333.436 1.125 20 0 EDADRP COc1ccccc1NCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986509 451747483 /nfs/dbraw/zinc/74/74/83/451747483.db2.gz RAHUBEZFQNSSHD-UHFFFAOYSA-N 2 0 341.415 1.550 20 0 EDADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000639020510 451753136 /nfs/dbraw/zinc/75/31/36/451753136.db2.gz AKHZFHGYKVXZIP-RHSMWYFYSA-N 2 0 339.443 1.585 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)c2ccccc21 ZINC000639068671 451760740 /nfs/dbraw/zinc/76/07/40/451760740.db2.gz YYFXJIZFUVFXCC-OLZOCXBDSA-N 2 0 325.416 1.579 20 0 EDADRP C[N@H+](C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1)C1CC1 ZINC000641221029 451787244 /nfs/dbraw/zinc/78/72/44/451787244.db2.gz DVDVXNDWNPPWBO-HOCLYGCPSA-N 2 0 335.839 1.435 20 0 EDADRP CC(C)[C@@H]([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229367 451790587 /nfs/dbraw/zinc/79/05/87/451790587.db2.gz HZJPWYWFLXKKBO-MSOLQXFVSA-N 2 0 329.448 1.571 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000641255307 451795197 /nfs/dbraw/zinc/79/51/97/451795197.db2.gz BLVMDJLOZXKQLO-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639257342 451799238 /nfs/dbraw/zinc/79/92/38/451799238.db2.gz MJCLDNHMLPOKTQ-CQSZACIVSA-N 2 0 331.526 1.558 20 0 EDADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000649072006 451808259 /nfs/dbraw/zinc/80/82/59/451808259.db2.gz WVHCRNBRPYACCS-DOTOQJQBSA-N 2 0 346.475 1.258 20 0 EDADRP CC(=O)NCc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639302641 451816182 /nfs/dbraw/zinc/81/61/82/451816182.db2.gz GBVISDBZDPUIHG-UHFFFAOYSA-N 2 0 333.476 1.648 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000644524029 451840630 /nfs/dbraw/zinc/84/06/30/451840630.db2.gz LQFNPOBAIKLKLL-RCCFBDPRSA-N 2 0 332.444 1.845 20 0 EDADRP COC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000644539754 451850951 /nfs/dbraw/zinc/85/09/51/451850951.db2.gz PVJUQAXRIZZFPC-ZFWWWQNUSA-N 2 0 325.428 1.235 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807702 451854066 /nfs/dbraw/zinc/85/40/66/451854066.db2.gz PXITZKPNEFKRJG-OALUTQOASA-N 2 0 344.503 1.228 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644562017 451862778 /nfs/dbraw/zinc/86/27/78/451862778.db2.gz NZXAFSVMUQNVFT-YVWKXTFCSA-N 2 0 331.504 1.909 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000644562460 451862938 /nfs/dbraw/zinc/86/29/38/451862938.db2.gz SDCUEXWWOAMABC-OAHLLOKOSA-N 2 0 339.455 1.181 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)CC(C)C ZINC000642531637 451887312 /nfs/dbraw/zinc/88/73/12/451887312.db2.gz NGMMAVDWHOQTTE-HOTGVXAUSA-N 2 0 340.512 1.117 20 0 EDADRP COCCC1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]CC1 ZINC000649278119 451950026 /nfs/dbraw/zinc/95/00/26/451950026.db2.gz MMTHOSUSJPNTLT-SFHVURJKSA-N 2 0 347.503 1.682 20 0 EDADRP CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639546093 451936386 /nfs/dbraw/zinc/93/63/86/451936386.db2.gz BSZSQKHVIBXWAP-VQTJNVASSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@@H](C)O1 ZINC000649284541 451957843 /nfs/dbraw/zinc/95/78/43/451957843.db2.gz FYRLPENOCYSKNW-IOASZLSFSA-N 2 0 339.867 1.955 20 0 EDADRP COCCC1(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000649292999 451968790 /nfs/dbraw/zinc/96/87/90/451968790.db2.gz SSRNPXVOYOWMQY-JKSUJKDBSA-N 2 0 325.497 1.772 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(COC)CCC[NH2+]2)CC1 ZINC000649294192 451971078 /nfs/dbraw/zinc/97/10/78/451971078.db2.gz BNPOWCWOUDRFMJ-GOSISDBHSA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649315194 451995009 /nfs/dbraw/zinc/99/50/09/451995009.db2.gz SQHWPOVIHWVPPS-UHFFFAOYSA-N 2 0 332.448 1.510 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649318843 451998414 /nfs/dbraw/zinc/99/84/14/451998414.db2.gz ORKHOWUGICBSQF-INIZCTEOSA-N 2 0 339.867 1.957 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319138 451998891 /nfs/dbraw/zinc/99/88/91/451998891.db2.gz KGQDQPBQIGWPSJ-HDMKZQKVSA-N 2 0 341.415 1.738 20 0 EDADRP COC[C@@]1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649322786 452001160 /nfs/dbraw/zinc/00/11/60/452001160.db2.gz MFBYYIOUDXJHDI-HXUWFJFHSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H](C)[N@H+]1C ZINC000637664590 452006309 /nfs/dbraw/zinc/00/63/09/452006309.db2.gz SAGYQDCWGCLTEW-OKILXGFUSA-N 2 0 334.468 1.706 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000651677989 452008981 /nfs/dbraw/zinc/00/89/81/452008981.db2.gz UFTOCBHMIVLHRI-KRWDZBQOSA-N 2 0 346.475 1.584 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649332777 452014706 /nfs/dbraw/zinc/01/47/06/452014706.db2.gz GFLIODNNUYTVIA-NXHRZFHOSA-N 2 0 329.444 1.528 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682036 452021289 /nfs/dbraw/zinc/02/12/89/452021289.db2.gz ITISIRWBQRNTMP-INIZCTEOSA-N 2 0 334.464 1.525 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)c2ccccc2O1 ZINC000649347007 452030612 /nfs/dbraw/zinc/03/06/12/452030612.db2.gz ABJORCYFYKOABW-GJZGRUSLSA-N 2 0 333.432 1.111 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)c1 ZINC000649351245 452035029 /nfs/dbraw/zinc/03/50/29/452035029.db2.gz ATXHTZJUSQENSR-QRQLOZEOSA-N 2 0 342.487 1.374 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000643135902 452045065 /nfs/dbraw/zinc/04/50/65/452045065.db2.gz YOVIIHMCVQCKBA-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094273 452057022 /nfs/dbraw/zinc/05/70/22/452057022.db2.gz AHBRYVPLMFHYIQ-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP CN(CCC[NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000649410051 452073736 /nfs/dbraw/zinc/07/37/36/452073736.db2.gz KCQCKLXIVIBCLP-UHFFFAOYSA-N 2 0 336.505 1.455 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637802077 452091047 /nfs/dbraw/zinc/09/10/47/452091047.db2.gz OZMZHJQABZODQA-QWFCFKBJSA-N 2 0 343.471 1.345 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637816505 452098698 /nfs/dbraw/zinc/09/86/98/452098698.db2.gz MOTISUFTYQTHMN-SNVBAGLBSA-N 2 0 342.394 1.012 20 0 EDADRP C[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000637824519 452102679 /nfs/dbraw/zinc/10/26/79/452102679.db2.gz OXZIFXOVFSZKSJ-HZPDHXFCSA-N 2 0 344.484 1.694 20 0 EDADRP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000637828450 452103645 /nfs/dbraw/zinc/10/36/45/452103645.db2.gz ZOWHFYIUFBEIAJ-KRWDZBQOSA-N 2 0 330.476 1.238 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)C12CCC[NH+](CCC1)C2 ZINC000637825670 452103706 /nfs/dbraw/zinc/10/37/06/452103706.db2.gz YNDVXMSQPLWNLP-UHFFFAOYSA-N 2 0 329.448 1.306 20 0 EDADRP OC[C@H]1CCCCC[N@@H+]1CCOCC[NH+]1CCCCC[C@H]1CO ZINC000653783861 452114180 /nfs/dbraw/zinc/11/41/80/452114180.db2.gz VOVVZRMNKDKSRL-HDICACEKSA-N 2 0 328.497 1.477 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637850336 452114868 /nfs/dbraw/zinc/11/48/68/452114868.db2.gz AKIDZEPVKANNDY-IBGZPJMESA-N 2 0 346.519 1.860 20 0 EDADRP COc1ncncc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000647187434 452115886 /nfs/dbraw/zinc/11/58/86/452115886.db2.gz NONKLYPJVQQUCV-UHFFFAOYSA-N 2 0 333.480 1.525 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000643294142 452119688 /nfs/dbraw/zinc/11/96/88/452119688.db2.gz GPMMSJDWWLJXMN-IXDOHACOSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)cn1 ZINC000637881328 452134277 /nfs/dbraw/zinc/13/42/77/452134277.db2.gz JUBPJONMEDMCSI-UHFFFAOYSA-N 2 0 331.464 1.854 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNc1nc(N)[nH+]c2c1CCCC2 ZINC000645144137 452175788 /nfs/dbraw/zinc/17/57/88/452175788.db2.gz KTNUCJUENFOXAZ-UHFFFAOYSA-N 2 0 341.459 1.912 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641673470 452187413 /nfs/dbraw/zinc/18/74/13/452187413.db2.gz QOLRBVCYOHEDKY-KRWDZBQOSA-N 2 0 325.497 1.679 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)COCC[NH3+])c2cccs2)CC1 ZINC000645180300 452197273 /nfs/dbraw/zinc/19/72/73/452197273.db2.gz CIEBCTMXOVIIGI-AWEZNQCLSA-N 2 0 325.478 1.613 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000645183036 452199059 /nfs/dbraw/zinc/19/90/59/452199059.db2.gz UYTPLAKTURNVBK-HOTGVXAUSA-N 2 0 336.480 1.119 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000654005947 452200143 /nfs/dbraw/zinc/20/01/43/452200143.db2.gz BMHOXXVCGNNJPP-GJZGRUSLSA-N 2 0 334.468 1.583 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000641788916 452267099 /nfs/dbraw/zinc/26/70/99/452267099.db2.gz WEZKADDFADNESR-QYZOEREBSA-N 3 0 338.540 1.103 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000659433365 452279246 /nfs/dbraw/zinc/27/92/46/452279246.db2.gz BNWMJUYGQRVZIS-UHFFFAOYSA-N 2 0 328.460 1.568 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488176 452286567 /nfs/dbraw/zinc/28/65/67/452286567.db2.gz VCTVVRPSLYVIJV-ZXFNITATSA-N 2 0 331.460 1.487 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659439132 452287210 /nfs/dbraw/zinc/28/72/10/452287210.db2.gz FQCMIAJPTZMBQO-UHFFFAOYSA-N 2 0 329.448 1.097 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000661505671 452307767 /nfs/dbraw/zinc/30/77/67/452307767.db2.gz CBPDOFBLGZOHFT-HZPDHXFCSA-N 2 0 340.512 1.515 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000652123860 452318849 /nfs/dbraw/zinc/31/88/49/452318849.db2.gz CNHYNZYWRBQWRH-HZPDHXFCSA-N 2 0 348.491 1.705 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652128120 452323734 /nfs/dbraw/zinc/32/37/34/452323734.db2.gz PHPHWDLPRDSZIJ-MWDXBVQZSA-N 2 0 340.512 1.360 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cn1 ZINC000638051818 452326321 /nfs/dbraw/zinc/32/63/21/452326321.db2.gz SACRAWYPQVMJRD-CYBMUJFWSA-N 2 0 331.445 1.564 20 0 EDADRP C[C@@H](CCO)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649866790 452326638 /nfs/dbraw/zinc/32/66/38/452326638.db2.gz YXFXHIPHDIBMCZ-INIZCTEOSA-N 2 0 333.476 1.601 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)C(F)(F)F ZINC000663600746 452328709 /nfs/dbraw/zinc/32/87/09/452328709.db2.gz WCUKHDXDCXKQIF-STQMWFEESA-N 2 0 336.402 1.687 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000659472420 452331294 /nfs/dbraw/zinc/33/12/94/452331294.db2.gz HYQSPMKAAQIGNL-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000659492571 452354990 /nfs/dbraw/zinc/35/49/90/452354990.db2.gz GKZHLBSFCNRRCY-WAZRQNRBSA-N 2 0 328.460 1.782 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000638062919 452356830 /nfs/dbraw/zinc/35/68/30/452356830.db2.gz JYQOHXZHIZTWOK-KJWYOANISA-N 2 0 347.459 1.028 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652163138 452357675 /nfs/dbraw/zinc/35/76/75/452357675.db2.gz ARSMWYZDWPVARI-YESZJQIVSA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)(CNC(=O)c1cnc(C[NH3+])nc1)[N@@H+]1CCc2ccccc2C1 ZINC000638067205 452370009 /nfs/dbraw/zinc/37/00/09/452370009.db2.gz COPQNFGOYKDJFR-UHFFFAOYSA-N 2 0 339.443 1.502 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CCC3C[NH2+]C3)c2)CC1 ZINC000638066642 452371719 /nfs/dbraw/zinc/37/17/19/452371719.db2.gz JLDBACSUNXVGGE-UHFFFAOYSA-N 2 0 344.459 1.322 20 0 EDADRP CC[C@]1(O)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035738 452371732 /nfs/dbraw/zinc/37/17/32/452371732.db2.gz NAWNOYKUGIFBRC-HKUYNNGSSA-N 2 0 333.476 1.642 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000659507867 452372693 /nfs/dbraw/zinc/37/26/93/452372693.db2.gz LKKICRZWALLFSE-GOSISDBHSA-N 2 0 345.491 1.735 20 0 EDADRP CCC[NH2+]CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659524549 452388089 /nfs/dbraw/zinc/38/80/89/452388089.db2.gz DGPUCMPXCKKCDZ-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP COc1cc(CNC(=O)C2=CC[C@@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000638077444 452390116 /nfs/dbraw/zinc/39/01/16/452390116.db2.gz SPTSFOQOQBCMJO-OAHLLOKOSA-N 2 0 333.432 1.299 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659530272 452392769 /nfs/dbraw/zinc/39/27/69/452392769.db2.gz HPXSBGAPZYTMFS-RBOXIYTFSA-N 2 0 338.402 1.319 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659542246 452401466 /nfs/dbraw/zinc/40/14/66/452401466.db2.gz ZIEKKYJDNXANCP-MWDXBVQZSA-N 2 0 334.439 1.840 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCCC1 ZINC000659575994 452430296 /nfs/dbraw/zinc/43/02/96/452430296.db2.gz XPLGAFVBHNHSPT-HZPDHXFCSA-N 2 0 334.439 1.842 20 0 EDADRP C[NH+](C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000647709925 452446477 /nfs/dbraw/zinc/44/64/77/452446477.db2.gz BTAYOLUJVIKMBO-DOTOQJQBSA-N 2 0 337.439 1.076 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659603243 452459347 /nfs/dbraw/zinc/45/93/47/452459347.db2.gz XVKWQZFZUIMHIC-AEFFLSMTSA-N 2 0 349.523 1.083 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659609148 452465167 /nfs/dbraw/zinc/46/51/67/452465167.db2.gz TUCWKQRNLQADSQ-HZPDHXFCSA-N 2 0 326.485 1.255 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652315222 452488610 /nfs/dbraw/zinc/48/86/10/452488610.db2.gz ORZXUEOSJQYLTO-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654434979 452492593 /nfs/dbraw/zinc/49/25/93/452492593.db2.gz IDCMFZNLZDPFPO-IXDOHACOSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000654438610 452498810 /nfs/dbraw/zinc/49/88/10/452498810.db2.gz FACFHCCSGSWLFO-UHFFFAOYSA-N 2 0 329.448 1.436 20 0 EDADRP CC[C@@H](C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1)[NH+](CC)CC ZINC000647765429 452498909 /nfs/dbraw/zinc/49/89/09/452498909.db2.gz OGCPLKHLRNZJHS-RDJZCZTQSA-N 2 0 325.497 1.819 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)C1 ZINC000652345494 452520564 /nfs/dbraw/zinc/52/05/64/452520564.db2.gz CONZGAVRXOARGQ-SCTDSRPQSA-N 2 0 343.471 1.794 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)COc1ccc(F)c(F)c1 ZINC000647786410 452520667 /nfs/dbraw/zinc/52/06/67/452520667.db2.gz OJRLROZQFZNHPP-AAVRWANBSA-N 2 0 326.387 1.682 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347334 452523280 /nfs/dbraw/zinc/52/32/80/452523280.db2.gz YWNMAXJFOBYNOO-WOYTXXSLSA-N 2 0 325.497 1.898 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361904 452543898 /nfs/dbraw/zinc/54/38/98/452543898.db2.gz SDYFFHHQNBFEIZ-ZACQAIPSSA-N 2 0 335.492 1.652 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC000652364356 452546393 /nfs/dbraw/zinc/54/63/93/452546393.db2.gz KIZCNLVZRXCGOP-FHWLQOOXSA-N 2 0 343.471 1.803 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655751167 452557299 /nfs/dbraw/zinc/55/72/99/452557299.db2.gz FVKHXRWNPWDUDA-QGZVFWFLSA-N 2 0 346.475 1.512 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657837141 452559516 /nfs/dbraw/zinc/55/95/16/452559516.db2.gz QNVCAXIGBNSKFI-FUHWJXTLSA-N 2 0 327.513 1.434 20 0 EDADRP C[N@H+](CCOc1ccccc1C(F)(F)F)CCN1CC[NH2+]CC1 ZINC000647835560 452573522 /nfs/dbraw/zinc/57/35/22/452573522.db2.gz BRHKCAYPUQBQPN-UHFFFAOYSA-N 2 0 331.382 1.921 20 0 EDADRP CO[C@@](C)(CO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000655807641 452590829 /nfs/dbraw/zinc/59/08/29/452590829.db2.gz MCBSBNDMDISMCZ-LJQANCHMSA-N 2 0 335.492 1.704 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900855 452599907 /nfs/dbraw/zinc/59/99/07/452599907.db2.gz NPVZZSIBGPMORO-OAHLLOKOSA-N 2 0 329.448 1.413 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000657927044 452617778 /nfs/dbraw/zinc/61/77/78/452617778.db2.gz XFXVNAAKLHNUPM-OTWHNJEPSA-N 2 0 340.508 1.786 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3CCCCO3)CC2)CC1 ZINC000661877092 452645196 /nfs/dbraw/zinc/64/51/96/452645196.db2.gz YGEWQBHJPOIMKY-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000647908738 452649453 /nfs/dbraw/zinc/64/94/53/452649453.db2.gz AWQNZIAKLWWYKP-UHFFFAOYSA-N 2 0 349.475 1.709 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976489 452653932 /nfs/dbraw/zinc/65/39/32/452653932.db2.gz NPQBKANSSGGIED-SJLPKXTDSA-N 2 0 327.513 1.434 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(F)(F)F ZINC000655915450 452675354 /nfs/dbraw/zinc/67/53/54/452675354.db2.gz VDNNRHPPMFUQSC-CYBMUJFWSA-N 2 0 336.402 1.830 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000655921578 452684275 /nfs/dbraw/zinc/68/42/75/452684275.db2.gz PBEJDRLRGNOBIT-UHTWSYAYSA-N 2 0 334.386 1.534 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(c3cc(N4CCC(C)(O)CC4)ncn3)[C@@H]2C1 ZINC000664036548 452734167 /nfs/dbraw/zinc/73/41/67/452734167.db2.gz QPPJJHHIENIIIW-LSDHHAIUSA-N 2 0 331.464 1.358 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C[C@@H]1O ZINC000647994307 452735188 /nfs/dbraw/zinc/73/51/88/452735188.db2.gz VPOMVQWVOHRXSS-ROUUACIJSA-N 2 0 346.475 1.099 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C1 ZINC000658137374 452746528 /nfs/dbraw/zinc/74/65/28/452746528.db2.gz KOMKSMOHLDKLHE-HXUWFJFHSA-N 2 0 329.488 1.970 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655971157 452752575 /nfs/dbraw/zinc/75/25/75/452752575.db2.gz UPGFMZVXMSKZOB-ARKGTOAJSA-N 2 0 326.485 1.253 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000652616816 452775182 /nfs/dbraw/zinc/77/51/82/452775182.db2.gz BYJCEYUILSZRMI-AWEZNQCLSA-N 2 0 344.419 1.236 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3[NH2+]CC3(C)C)ccc2oc1=O ZINC000645800493 452801290 /nfs/dbraw/zinc/80/12/90/452801290.db2.gz RMNQDANUMAEGBM-CQSZACIVSA-N 2 0 332.404 1.093 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000652645197 452802312 /nfs/dbraw/zinc/80/23/12/452802312.db2.gz UBSAVGHSGNHWSD-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N[C@H](C)CC[NH3+])C1CCCCC1 ZINC000652698961 452847680 /nfs/dbraw/zinc/84/76/80/452847680.db2.gz NFGQSKKTRNNEPL-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000652705251 452858466 /nfs/dbraw/zinc/85/84/66/452858466.db2.gz CLJVZOPYBIPGJN-CABCVRRESA-N 2 0 340.512 1.389 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734224 452861306 /nfs/dbraw/zinc/86/13/06/452861306.db2.gz COBWWBPPDRNQMR-BBWFWOEESA-N 2 0 338.496 1.149 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000648175932 452887188 /nfs/dbraw/zinc/88/71/88/452887188.db2.gz GLJXIBZFFQHHTK-RVKKMQEKSA-N 2 0 333.480 1.261 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000648178033 452889262 /nfs/dbraw/zinc/88/92/62/452889262.db2.gz LHVNVAGTKGRLCD-ROUUACIJSA-N 3 0 344.503 1.471 20 0 EDADRP CNS(=O)(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000659983425 452892042 /nfs/dbraw/zinc/89/20/42/452892042.db2.gz MAIYFRIMVGFKAI-UKRRQHHQSA-N 2 0 325.478 1.509 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)cc12 ZINC000650706304 452942937 /nfs/dbraw/zinc/94/29/37/452942937.db2.gz IEHLYFHTTFINCF-LZLYRXPVSA-N 2 0 343.475 1.995 20 0 EDADRP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)[nH]1 ZINC000650723827 452952434 /nfs/dbraw/zinc/95/24/34/452952434.db2.gz URYHRUIAMCXLEJ-IAOVAPTHSA-N 2 0 334.464 1.577 20 0 EDADRP O=C(Nc1ccc(F)cc1)N[C@@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255652 452985184 /nfs/dbraw/zinc/98/51/84/452985184.db2.gz ZRRQASAMFQRNEM-HZPDHXFCSA-N 2 0 348.422 1.543 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000662274151 453003089 /nfs/dbraw/zinc/00/30/89/453003089.db2.gz FLVFFYRKQGPNHD-JKSUJKDBSA-N 2 0 337.489 1.416 20 0 EDADRP c1ccc([C@H](CN2CCOCC2)[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662282796 453006963 /nfs/dbraw/zinc/00/69/63/453006963.db2.gz QTONWDPWRZVCKK-ROUUACIJSA-N 2 0 331.460 1.171 20 0 EDADRP CN1CC(=O)N(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000660120439 453046541 /nfs/dbraw/zinc/04/65/41/453046541.db2.gz BCJRUXAFEZPRIZ-UHFFFAOYSA-N 2 0 336.480 1.468 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000666674536 453058129 /nfs/dbraw/zinc/05/81/29/453058129.db2.gz UOLUGSBWXSUMCS-HNNXBMFYSA-N 2 0 331.464 1.620 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC3C[NH2+]C3)c(C)c2)CC1 ZINC000666676612 453059994 /nfs/dbraw/zinc/05/99/94/453059994.db2.gz BZRCVYFHVVILOU-UHFFFAOYSA-N 2 0 331.464 1.478 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC000658521173 453073483 /nfs/dbraw/zinc/07/34/83/453073483.db2.gz BRVBEFPNRSFDRD-HNNXBMFYSA-N 2 0 347.463 1.036 20 0 EDADRP C[C@@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386682 453097196 /nfs/dbraw/zinc/09/71/96/453097196.db2.gz DPWCVTRQIIVVGQ-KGLIPLIRSA-N 2 0 334.464 1.992 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000655011321 453132301 /nfs/dbraw/zinc/13/23/01/453132301.db2.gz XDKVJUGWYFYYFE-SFHVURJKSA-N 2 0 345.491 1.782 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000662469286 453180909 /nfs/dbraw/zinc/18/09/09/453180909.db2.gz QGBATAGUTLUNLF-KRWDZBQOSA-N 2 0 337.439 1.783 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000656449054 453188799 /nfs/dbraw/zinc/18/87/99/453188799.db2.gz XDSHFJYKWSJTBT-KRWDZBQOSA-N 2 0 329.448 1.761 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000660313433 453205047 /nfs/dbraw/zinc/20/50/47/453205047.db2.gz PTBJHNNLMBBBOF-MRXNPFEDSA-N 2 0 347.463 1.202 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000648735176 453223222 /nfs/dbraw/zinc/22/32/22/453223222.db2.gz DLIFQIYQLZLGHC-VQIMIIECSA-N 2 0 344.503 1.390 20 0 EDADRP [NH3+]CCOCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000646249070 453254334 /nfs/dbraw/zinc/25/43/34/453254334.db2.gz HSDGPBMWAQYZSB-ROUUACIJSA-N 2 0 331.460 1.475 20 0 EDADRP C[C@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662559290 453287295 /nfs/dbraw/zinc/28/72/95/453287295.db2.gz WNMUYYHLSPLVCN-KSSFIOAISA-N 2 0 327.428 1.599 20 0 EDADRP CC(C)N1CC[C@@H](NC(=O)COCC[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000646297012 453295292 /nfs/dbraw/zinc/29/52/92/453295292.db2.gz BHXGAEGMGQTOGR-NVXWUHKLSA-N 2 0 341.402 1.580 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662573412 453300203 /nfs/dbraw/zinc/30/02/03/453300203.db2.gz BEZQXCNHDUTVCY-UAGQMJEPSA-N 2 0 325.497 1.742 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662575331 453300840 /nfs/dbraw/zinc/30/08/40/453300840.db2.gz RKUYPZPYYWJRTO-ZWKOTPCHSA-N 2 0 329.444 1.648 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662575848 453302457 /nfs/dbraw/zinc/30/24/57/453302457.db2.gz QVXNWFXDMATQRI-QRQLOZEOSA-N 2 0 343.471 1.966 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653123407 453315876 /nfs/dbraw/zinc/31/58/76/453315876.db2.gz XMUAMXVUGYREFS-HUUCEWRRSA-N 2 0 326.872 1.338 20 0 EDADRP CN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648851194 453328596 /nfs/dbraw/zinc/32/85/96/453328596.db2.gz LHQHJWYKYCSRMP-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@H](NC(=O)[C@]12C[NH2+]C[C@H]1COC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000653156764 453348735 /nfs/dbraw/zinc/34/87/35/453348735.db2.gz KUNAXNCAKHVWBA-NFBUACBFSA-N 2 0 343.471 1.249 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646378364 453355037 /nfs/dbraw/zinc/35/50/37/453355037.db2.gz JMHWKJJLWIIKDE-BZUAXINKSA-N 2 0 346.479 1.054 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000653166889 453359819 /nfs/dbraw/zinc/35/98/19/453359819.db2.gz HQKPPSGSPKKMLC-NPYXIHBLSA-N 2 0 338.496 1.268 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000662664262 453377455 /nfs/dbraw/zinc/37/74/55/453377455.db2.gz VYWWGNFWGKCYRL-GDBMZVCRSA-N 2 0 343.393 1.818 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662668463 453382547 /nfs/dbraw/zinc/38/25/47/453382547.db2.gz MRTOSSQXGPBYJQ-MRXNPFEDSA-N 2 0 331.460 1.419 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccn2)CC1 ZINC000653194594 453385369 /nfs/dbraw/zinc/38/53/69/453385369.db2.gz OECWZOUXRUEBCE-LPHOPBHVSA-N 2 0 343.475 1.034 20 0 EDADRP CC(C)(CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662679869 453400352 /nfs/dbraw/zinc/40/03/52/453400352.db2.gz QQYKJRZKMQVQMY-DLBZAZTESA-N 2 0 331.460 1.303 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681114 453402345 /nfs/dbraw/zinc/40/23/45/453402345.db2.gz AUZAFAPFKVXSIS-RYUDHWBXSA-N 2 0 325.400 1.082 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646458637 453406551 /nfs/dbraw/zinc/40/65/51/453406551.db2.gz CGAIRWGRXPYWNW-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000662686894 453408118 /nfs/dbraw/zinc/40/81/18/453408118.db2.gz BSUZMNFKGVSQQG-GASCZTMLSA-N 2 0 331.460 1.909 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662690488 453410809 /nfs/dbraw/zinc/41/08/09/453410809.db2.gz ABKDQXWSTJMUFI-KURKYZTESA-N 2 0 331.460 1.379 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662697381 453417831 /nfs/dbraw/zinc/41/78/31/453417831.db2.gz FZAIZQHIXIBAOC-CVEARBPZSA-N 2 0 346.479 1.293 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662710589 453434047 /nfs/dbraw/zinc/43/40/47/453434047.db2.gz IJJMZSIZOULSNC-CQSZACIVSA-N 2 0 337.386 1.146 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000653266647 453447471 /nfs/dbraw/zinc/44/74/71/453447471.db2.gz CUNYICWJUQJJLM-BHSGIXCHSA-N 2 0 335.492 1.795 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000662740785 453465946 /nfs/dbraw/zinc/46/59/46/453465946.db2.gz BXTNNGVEAZVMKW-HKUYNNGSSA-N 2 0 344.503 1.309 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757071 453493377 /nfs/dbraw/zinc/49/33/77/453493377.db2.gz KEUZHZRJAVAOQW-ROUUACIJSA-N 2 0 346.475 1.126 20 0 EDADRP C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000662758208 453496592 /nfs/dbraw/zinc/49/65/92/453496592.db2.gz QIZNNYRADUSNEW-UMVBOHGHSA-N 2 0 334.439 1.492 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662762479 453500202 /nfs/dbraw/zinc/50/02/02/453500202.db2.gz WFMDAERUUXTMJT-ARFHVFGLSA-N 2 0 346.479 1.197 20 0 EDADRP N[C@@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763911 453500673 /nfs/dbraw/zinc/50/06/73/453500673.db2.gz JYQUQZPPWGZLER-BDJLRTHQSA-N 2 0 332.354 1.814 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662764382 453500724 /nfs/dbraw/zinc/50/07/24/453500724.db2.gz JOTBPHXTOZUQDR-AWEZNQCLSA-N 2 0 344.419 1.183 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662799082 453533884 /nfs/dbraw/zinc/53/38/84/453533884.db2.gz KGVYULBJYAOAAL-UHFFFAOYSA-N 2 0 345.487 1.905 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCOCC1 ZINC000660710122 453538184 /nfs/dbraw/zinc/53/81/84/453538184.db2.gz KEFIXQGWUNEIBR-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662859883 453575094 /nfs/dbraw/zinc/57/50/94/453575094.db2.gz PPXUMXVXOBYLTJ-SFHVURJKSA-N 2 0 343.471 1.544 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1F ZINC000662870220 453581784 /nfs/dbraw/zinc/58/17/84/453581784.db2.gz AAJRSGLFSRLAOW-IWKLRQMXSA-N 2 0 347.434 1.396 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659032737 453589854 /nfs/dbraw/zinc/58/98/54/453589854.db2.gz GYFLTENBIMCQQU-QGZVFWFLSA-N 2 0 332.448 1.907 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659038823 453593269 /nfs/dbraw/zinc/59/32/69/453593269.db2.gz VVUMEPFQZCGYAD-RHSMWYFYSA-N 2 0 332.448 1.763 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](OC)[C@H]3CCOC3)CC2)CC1 ZINC000660834632 453597046 /nfs/dbraw/zinc/59/70/46/453597046.db2.gz ORXDTRSANAVKRF-PKOBYXMFSA-N 2 0 339.524 1.530 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000662945344 453619180 /nfs/dbraw/zinc/61/91/80/453619180.db2.gz NUOXXAGAZCIOHR-IAGOWNOFSA-N 2 0 337.439 1.919 20 0 EDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000665282259 453633945 /nfs/dbraw/zinc/63/39/45/453633945.db2.gz UMHJLYUEYCKUSR-DGCLKSJQSA-N 2 0 330.270 1.962 20 0 EDADRP CC[C@@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285637 453635771 /nfs/dbraw/zinc/63/57/71/453635771.db2.gz SETBQRWUPHCIAN-ZCNNSNEGSA-N 2 0 330.520 1.923 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000659107057 453638796 /nfs/dbraw/zinc/63/87/96/453638796.db2.gz JMSKMEBAANENSL-MRXNPFEDSA-N 2 0 334.464 1.219 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013174 453647157 /nfs/dbraw/zinc/64/71/57/453647157.db2.gz ACAYACYQUDNXPO-RDTXWAMCSA-N 2 0 348.495 1.043 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665361588 453667213 /nfs/dbraw/zinc/66/72/13/453667213.db2.gz SCQUWFNYSKLLBH-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349179 453724145 /nfs/dbraw/zinc/72/41/45/453724145.db2.gz ALOYRIWDPMMAMC-DLTLXFJOSA-N 2 0 337.414 1.915 20 0 EDADRP COC[C@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)C1CCOCC1 ZINC000661157640 453740201 /nfs/dbraw/zinc/74/02/01/453740201.db2.gz JBFGNUMNUFPCQG-MOPGFXCFSA-N 2 0 336.476 1.511 20 0 EDADRP CC(=O)Nc1ccc(C)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000665588240 453758214 /nfs/dbraw/zinc/75/82/14/453758214.db2.gz OJHDLFZHBMHGCZ-UHFFFAOYSA-N 2 0 349.479 1.958 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCc1ccc(F)cc1 ZINC000663413156 453792152 /nfs/dbraw/zinc/79/21/52/453792152.db2.gz HFROMWMCHABAOY-HNNXBMFYSA-N 2 0 338.471 1.939 20 0 EDADRP C[NH+](C)CCCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000672663550 486756652 /nfs/dbraw/zinc/75/66/52/486756652.db2.gz IZUANCFJIRAOCL-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000672750835 486789458 /nfs/dbraw/zinc/78/94/58/486789458.db2.gz ZGXYGAAHBBEKLY-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000418214138 486828508 /nfs/dbraw/zinc/82/85/08/486828508.db2.gz WWGUVLPRAYJGDY-KRWDZBQOSA-N 2 0 336.480 1.937 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)n2)CC1 ZINC000683813298 486825607 /nfs/dbraw/zinc/82/56/07/486825607.db2.gz RQVWPGOJVDLAIR-HNNXBMFYSA-N 2 0 346.479 1.756 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC[C@H]1[NH3+] ZINC000667544686 486835447 /nfs/dbraw/zinc/83/54/47/486835447.db2.gz DQSGGXIHSQHVHR-GDBMZVCRSA-N 2 0 346.475 1.315 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC[C@@H]1[NH3+] ZINC000667546861 486837141 /nfs/dbraw/zinc/83/71/41/486837141.db2.gz UIBMLETUZQMEGV-CVEARBPZSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431014231 486900815 /nfs/dbraw/zinc/90/08/15/486900815.db2.gz ICQYODFBHCJDHD-MSOLQXFVSA-N 2 0 346.475 1.379 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681136491 486947638 /nfs/dbraw/zinc/94/76/38/486947638.db2.gz VNJDDNPMIOITRK-GOSISDBHSA-N 3 0 348.535 1.743 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000681411651 487036338 /nfs/dbraw/zinc/03/63/38/487036338.db2.gz AIUAFFXGRYKIHU-ZBFHGGJFSA-N 2 0 325.478 1.165 20 0 EDADRP CO[C@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000684387867 487046018 /nfs/dbraw/zinc/04/60/18/487046018.db2.gz LKMCQNBHCVUXKP-QYZOEREBSA-N 2 0 347.503 1.823 20 0 EDADRP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000684387866 487046103 /nfs/dbraw/zinc/04/61/03/487046103.db2.gz LKMCQNBHCVUXKP-QRVBRYPASA-N 2 0 347.503 1.823 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000673556718 487060120 /nfs/dbraw/zinc/06/01/20/487060120.db2.gz YDOYKBPOBGKYDP-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP O=C(CCn1cccc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000673652916 487078054 /nfs/dbraw/zinc/07/80/54/487078054.db2.gz WPGMBTBOSNJOBX-UHFFFAOYSA-N 2 0 341.459 1.602 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684572615 487102093 /nfs/dbraw/zinc/10/20/93/487102093.db2.gz KHYLLWMAVUGOKI-UHFFFAOYSA-N 2 0 340.427 1.685 20 0 EDADRP Cc1cn2ccc(NC(=O)N3CCN(C[C@@H](C)O)C[C@H]3C)cc2n1 ZINC000668162127 487124366 /nfs/dbraw/zinc/12/43/66/487124366.db2.gz PEZCCHPOBOTUEW-ZIAGYGMSSA-N 2 0 331.420 1.562 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869093 487140570 /nfs/dbraw/zinc/14/05/70/487140570.db2.gz LFWIAPNPSYYFJL-HUUCEWRRSA-N 2 0 336.484 1.829 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000674285895 487228621 /nfs/dbraw/zinc/22/86/21/487228621.db2.gz IMUIQVRXQXWSLJ-AWEZNQCLSA-N 2 0 334.464 1.647 20 0 EDADRP COc1cc2c(c(CN(CC[NH+](C)C)CC[NH+](C)C)c1)O[C@H](C)C2 ZINC000685457079 487278300 /nfs/dbraw/zinc/27/83/00/487278300.db2.gz KCGIMJXLSHSMLY-OAHLLOKOSA-N 2 0 335.492 1.944 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682653215 487401385 /nfs/dbraw/zinc/40/13/85/487401385.db2.gz JYKUWWNIWPOVAA-UHFFFAOYSA-N 2 0 336.484 1.784 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669513915 485478285 /nfs/dbraw/zinc/47/82/85/485478285.db2.gz VRZMAHWGIBNEOY-RDJZCZTQSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000669517966 485483563 /nfs/dbraw/zinc/48/35/63/485483563.db2.gz CNPYEXKSHNJRNJ-CZUORRHYSA-N 2 0 338.427 1.015 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000668982974 485523681 /nfs/dbraw/zinc/52/36/81/485523681.db2.gz AQJLQYDFAOBBQY-ZWKOTPCHSA-N 2 0 328.460 1.668 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000669550910 485544286 /nfs/dbraw/zinc/54/42/86/485544286.db2.gz CAIHIQMQBFWWEO-YOEHRIQHSA-N 2 0 347.463 1.056 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)cc1 ZINC000669567412 485579728 /nfs/dbraw/zinc/57/97/28/485579728.db2.gz ZYCUKJRZFMWWQF-ROUUACIJSA-N 2 0 330.476 1.684 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000668661120 486009255 /nfs/dbraw/zinc/00/92/55/486009255.db2.gz KJPIFSHIQKDEGH-JQHSSLGASA-N 2 0 348.491 1.827 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000669389586 486025579 /nfs/dbraw/zinc/02/55/79/486025579.db2.gz ZDGGSLOMGPIAGJ-HUUCEWRRSA-N 2 0 340.537 1.917 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000669426314 486146583 /nfs/dbraw/zinc/14/65/83/486146583.db2.gz HZVNJIQBAPFPHA-NVXWUHKLSA-N 2 0 346.475 1.378 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCc3nc[nH]c3C2)[C@@H](C)C1 ZINC000668817904 486225699 /nfs/dbraw/zinc/22/56/99/486225699.db2.gz BYTBHKKWQMEUAH-JYJNAYRXSA-N 2 0 348.491 1.768 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442785 486239471 /nfs/dbraw/zinc/23/94/71/486239471.db2.gz TXEYYLSZHJGEIL-ZWKOTPCHSA-N 2 0 346.475 1.189 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000669486827 486252716 /nfs/dbraw/zinc/25/27/16/486252716.db2.gz BDZXSDCDXANBLM-QAPCUYQASA-N 2 0 346.475 1.500 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@@H](C)C1 ZINC000669486263 486253158 /nfs/dbraw/zinc/25/31/58/486253158.db2.gz OCANGOKYRNITTQ-HOTGVXAUSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000377812552 486613123 /nfs/dbraw/zinc/61/31/23/486613123.db2.gz XTFACZIEZIBFSA-UOVPBQLFSA-N 2 0 337.508 1.628 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CC[N@@H+]1Cc1ccccc1 ZINC000379666813 486636863 /nfs/dbraw/zinc/63/68/63/486636863.db2.gz XQVSIWXMWABAGT-GOEBONIOSA-N 2 0 342.447 1.020 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000261712310 486646984 /nfs/dbraw/zinc/64/69/84/486646984.db2.gz GHJUHUKBZFQWCR-IAGOWNOFSA-N 2 0 336.524 1.428 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000669007216 491184090 /nfs/dbraw/zinc/18/40/90/491184090.db2.gz IWTWTSZCWMFJLO-SOLBZPMBSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)N(C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CCCC1 ZINC000352779542 534933547 /nfs/dbraw/zinc/93/35/47/534933547.db2.gz QCGCXSJNCSQKRZ-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000339349165 535120963 /nfs/dbraw/zinc/12/09/63/535120963.db2.gz MZJAGTLYRZQDRG-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[N@H+](C)C1CC1)[NH+]1CCOCC1 ZINC000352662507 535142529 /nfs/dbraw/zinc/14/25/29/535142529.db2.gz APMIGEHGGOSRPJ-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP CC(CN1CC[NH+](C2CCC2)CC1)C[NH+]1CCN(C2CCC2)CC1 ZINC000346653626 535176888 /nfs/dbraw/zinc/17/68/88/535176888.db2.gz WVAQOUNSUXCRBX-UHFFFAOYSA-N 2 0 334.552 1.963 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262771228 535450599 /nfs/dbraw/zinc/45/05/99/535450599.db2.gz MIJZVPKODHNEQM-MRXNPFEDSA-N 2 0 333.480 1.659 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000070058328 535466073 /nfs/dbraw/zinc/46/60/73/535466073.db2.gz FOALTTZAWGBISW-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262024275 535523692 /nfs/dbraw/zinc/52/36/92/535523692.db2.gz AUUSWHNAAYQNKX-CYBMUJFWSA-N 2 0 339.402 1.488 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000236867603 535539499 /nfs/dbraw/zinc/53/94/99/535539499.db2.gz KEHPBWBKDNIEJT-OAHLLOKOSA-N 2 0 332.448 1.306 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C1([NH3+])CCOCC1 ZINC000261774859 535556289 /nfs/dbraw/zinc/55/62/89/535556289.db2.gz GXLZUGMXJCLONK-UHFFFAOYSA-N 2 0 349.475 1.531 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916862 535595890 /nfs/dbraw/zinc/59/58/90/535595890.db2.gz QLOJQPPXFWMPRD-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCOCC1)Cc1ccccc1 ZINC000338152472 535670500 /nfs/dbraw/zinc/67/05/00/535670500.db2.gz AFTFTZUHSYBVJI-KRWDZBQOSA-N 2 0 333.476 1.564 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1)C(C)C ZINC000236994653 535783012 /nfs/dbraw/zinc/78/30/12/535783012.db2.gz FKQNMYSSXTWHHZ-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261581541 536303750 /nfs/dbraw/zinc/30/37/50/536303750.db2.gz QQYPORSJEDRAJZ-UHFFFAOYSA-N 2 0 344.503 1.405 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000263051229 536339980 /nfs/dbraw/zinc/33/99/80/536339980.db2.gz UPOONIANRYVTDY-IEBWSBKVSA-N 2 0 336.524 1.569 20 0 EDADRP C[N@H+](CCOc1cccc(CNC2=[NH+]CCCN2)c1)C1CCOCC1 ZINC000262122005 536401016 /nfs/dbraw/zinc/40/10/16/536401016.db2.gz MFOIRSMOTSYEKA-UHFFFAOYSA-N 2 0 346.475 1.615 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347016685 536664426 /nfs/dbraw/zinc/66/44/26/536664426.db2.gz JWPZTYVIPQKSLX-KRWDZBQOSA-N 2 0 345.443 1.117 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCC[C@H]1C ZINC000729496842 578577484 /nfs/dbraw/zinc/57/74/84/578577484.db2.gz KNVODTJRKNGQIF-NCOADZHNSA-N 2 0 338.496 1.412 20 0 EDADRP Cc1cc(N2CCN(c3ccc(C[NH+](C)C)cn3)CC2)nc(N)[nH+]1 ZINC000729919341 578598905 /nfs/dbraw/zinc/59/89/05/578598905.db2.gz FWKHEGKPIUJKIA-UHFFFAOYSA-N 2 0 327.436 1.150 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000732677804 578723007 /nfs/dbraw/zinc/72/30/07/578723007.db2.gz ZCQYUULSNQSYII-HZMVEIRTSA-N 2 0 336.480 1.118 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000746257896 579582527 /nfs/dbraw/zinc/58/25/27/579582527.db2.gz HKZYADOOCWWXJA-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cnn(C)c1 ZINC000750735167 579778932 /nfs/dbraw/zinc/77/89/32/579778932.db2.gz VHZXHXKWVBMHGX-IJDCCNJMSA-N 2 0 333.480 1.308 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000754711261 579909860 /nfs/dbraw/zinc/90/98/60/579909860.db2.gz KVWJPDCEQKHJFL-ZIAGYGMSSA-N 2 0 334.489 1.555 20 0 EDADRP C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000763069405 580091893 /nfs/dbraw/zinc/09/18/93/580091893.db2.gz OMVUPTKUIPLXNP-DNVCBOLYSA-N 2 0 345.487 1.516 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCSC1 ZINC000764271103 580116877 /nfs/dbraw/zinc/11/68/77/580116877.db2.gz JAJRNEWPXNQYNN-HZPDHXFCSA-N 2 0 341.521 1.183 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000771036662 580277909 /nfs/dbraw/zinc/27/79/09/580277909.db2.gz AKGXNMGAHXNFFS-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP CCNS(=O)(=O)CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000772980425 580324713 /nfs/dbraw/zinc/32/47/13/580324713.db2.gz WQMYRSBMMJOSFQ-AWEZNQCLSA-N 2 0 343.493 1.217 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000785417211 580643319 /nfs/dbraw/zinc/64/33/19/580643319.db2.gz DXGKXQHFEWZSMK-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000788641235 580726752 /nfs/dbraw/zinc/72/67/52/580726752.db2.gz BYHWYWDKUVAIJK-CQSZACIVSA-N 2 0 342.443 1.929 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957133 590707498 /nfs/dbraw/zinc/70/74/98/590707498.db2.gz UIYXBCVBJLNUQL-HOTGVXAUSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000891976713 590719505 /nfs/dbraw/zinc/71/95/05/590719505.db2.gz RJDRFSAJFQYBBB-HNNXBMFYSA-N 2 0 331.464 1.963 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000891980154 590722520 /nfs/dbraw/zinc/72/25/20/590722520.db2.gz SIYLSUNJQBILKJ-PBHICJAKSA-N 2 0 332.448 1.351 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)[NH2+]C1 ZINC000892118255 590809477 /nfs/dbraw/zinc/80/94/77/590809477.db2.gz DDYHKMVZSXXNDH-RDJZCZTQSA-N 2 0 330.476 1.951 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000892134407 590815795 /nfs/dbraw/zinc/81/57/95/590815795.db2.gz HVCXLHOLFPMCLY-PBHICJAKSA-N 2 0 334.464 1.869 20 0 EDADRP COCCC1(NC(=O)NC2CCC([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000892187175 590853879 /nfs/dbraw/zinc/85/38/79/590853879.db2.gz APAINHALVPAYQU-UHFFFAOYSA-N 2 0 326.485 1.317 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892188475 590855416 /nfs/dbraw/zinc/85/54/16/590855416.db2.gz RGNBVCPJVHYSEP-WCXIOVBPSA-N 2 0 343.475 1.690 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892187275 590855518 /nfs/dbraw/zinc/85/55/18/590855518.db2.gz KGJMOPVDCIRUFX-XDNAFOTISA-N 2 0 328.460 1.388 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000892232341 590877694 /nfs/dbraw/zinc/87/76/94/590877694.db2.gz DOYBOHIHQRYDBC-SFHVURJKSA-N 2 0 346.475 1.741 20 0 EDADRP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CC[NH2+]C1 ZINC000892255927 590889870 /nfs/dbraw/zinc/88/98/70/590889870.db2.gz ZFIZGXWPMNOFLE-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000892257465 590890363 /nfs/dbraw/zinc/89/03/63/590890363.db2.gz MBPZQMDGETWREP-YVVXQTMVSA-N 2 0 332.448 1.272 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000892266878 590899777 /nfs/dbraw/zinc/89/97/77/590899777.db2.gz ILHARDUMNCLXBT-MRXNPFEDSA-N 2 0 338.496 1.128 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCOCC3)C2)cc1 ZINC000892279188 590909632 /nfs/dbraw/zinc/90/96/32/590909632.db2.gz QVERVWPWAPKVKG-QGZVFWFLSA-N 2 0 346.475 1.376 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892330357 590954948 /nfs/dbraw/zinc/95/49/48/590954948.db2.gz YLRXZLOHBVCQCQ-QGZVFWFLSA-N 2 0 330.476 1.956 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1C ZINC000892412930 591017876 /nfs/dbraw/zinc/01/78/76/591017876.db2.gz HOPDGYNRAUZNSQ-QZTJIDSGSA-N 2 0 332.492 1.928 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892430360 591025770 /nfs/dbraw/zinc/02/57/70/591025770.db2.gz HVZMMHCISBADJN-WKILWMFISA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000891339882 591049512 /nfs/dbraw/zinc/04/95/12/591049512.db2.gz IUKVFBGZPVQQQX-QAQDUYKDSA-N 2 0 330.476 1.730 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891341166 591050078 /nfs/dbraw/zinc/05/00/78/591050078.db2.gz ZVOJEZZYLWFDGD-IEBWSBKVSA-N 2 0 343.475 1.630 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000892549171 591068553 /nfs/dbraw/zinc/06/85/53/591068553.db2.gz PAUBEWYINUFVCT-WNRNVDISSA-N 2 0 328.460 1.640 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000892551711 591069325 /nfs/dbraw/zinc/06/93/25/591069325.db2.gz MRSOJXBWOMFTBX-RYQLBKOJSA-N 2 0 330.476 1.887 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891413814 591070305 /nfs/dbraw/zinc/07/03/05/591070305.db2.gz BQVMBGJSCFULMT-CVEARBPZSA-N 2 0 338.496 1.176 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891466488 591082225 /nfs/dbraw/zinc/08/22/25/591082225.db2.gz XFXOQKADPYJCLG-CYBMUJFWSA-N 2 0 332.439 1.795 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000891563177 591129389 /nfs/dbraw/zinc/12/93/89/591129389.db2.gz ADFSBDUXASQHEH-YHUYYLMFSA-N 2 0 326.485 1.160 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000891577856 591133243 /nfs/dbraw/zinc/13/32/43/591133243.db2.gz ZPPHEPSMNUCUDP-INIZCTEOSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCN(C)CC1 ZINC000891604012 591145039 /nfs/dbraw/zinc/14/50/39/591145039.db2.gz VBVGVTLGASCNFT-MRXNPFEDSA-N 2 0 339.528 1.173 20 0 EDADRP C[C@@H](CNC(=O)N(C)CCCCCC[NH3+])C[NH+]1CCN(C)CC1 ZINC000891603923 591145177 /nfs/dbraw/zinc/14/51/77/591145177.db2.gz SSPZDZKVGGTPLZ-INIZCTEOSA-N 2 0 327.517 1.030 20 0 EDADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CCC12CCC2 ZINC000892754866 591160555 /nfs/dbraw/zinc/16/05/55/591160555.db2.gz CHDSPRKDAMQMRH-HNNXBMFYSA-N 2 0 336.480 1.073 20 0 EDADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH2+]CCC12CCC2 ZINC000892754867 591160931 /nfs/dbraw/zinc/16/09/31/591160931.db2.gz CHDSPRKDAMQMRH-OAHLLOKOSA-N 2 0 336.480 1.073 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000891655488 591170943 /nfs/dbraw/zinc/17/09/43/591170943.db2.gz MSNFQGLSNKYEGA-BGTYHANMSA-N 2 0 328.460 1.795 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000891723673 591199109 /nfs/dbraw/zinc/19/91/09/591199109.db2.gz SWENUASXCDQUNJ-IRXDYDNUSA-N 2 0 325.416 1.908 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[NH2+]CCC13CCC3)C2 ZINC000892877795 591212642 /nfs/dbraw/zinc/21/26/42/591212642.db2.gz JROYGKDQSDULIO-UHFFFAOYSA-N 2 0 335.477 1.298 20 0 EDADRP CC[NH+]1CCN(CCNc2cc[nH+]c(C)c2Br)CC1 ZINC000891755972 591212683 /nfs/dbraw/zinc/21/26/83/591212683.db2.gz HPWAGRHHCOIMSQ-UHFFFAOYSA-N 2 0 327.270 1.624 20 0 EDADRP C[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)N1CCc2sccc2C1 ZINC000895675945 591245056 /nfs/dbraw/zinc/24/50/56/591245056.db2.gz WIALHXINEOHVJJ-XJKSGUPXSA-N 2 0 349.500 1.332 20 0 EDADRP C[NH+](C)C[C@@H]1CN([C@@H]2CCC3(C[C@H]2F)OCCO3)C[C@H]1C[NH+](C)C ZINC000895700182 591253082 /nfs/dbraw/zinc/25/30/82/591253082.db2.gz SBCBTZUMBFPKSR-QBPKDAKJSA-N 2 0 343.487 1.291 20 0 EDADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895696745 591257186 /nfs/dbraw/zinc/25/71/86/591257186.db2.gz GFZJUCOFLIGSSE-OALUTQOASA-N 2 0 343.471 1.488 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000898437474 591351985 /nfs/dbraw/zinc/35/19/85/591351985.db2.gz QPBUXWVVQURUBU-JZXOWHBKSA-N 2 0 347.459 1.012 20 0 EDADRP C[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894771124 591411502 /nfs/dbraw/zinc/41/15/02/591411502.db2.gz ZSGIMSUYXGVGDT-MRXNPFEDSA-N 2 0 343.475 1.869 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000894782686 591417609 /nfs/dbraw/zinc/41/76/09/591417609.db2.gz XHQXXLPECDOZQA-HOTGVXAUSA-N 2 0 343.487 1.626 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000898579634 591420763 /nfs/dbraw/zinc/42/07/63/591420763.db2.gz SKJSQLVDBHESGK-QGZVFWFLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469136 591470696 /nfs/dbraw/zinc/47/06/96/591470696.db2.gz DTWPXHNUCSPXTR-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469134 591470738 /nfs/dbraw/zinc/47/07/38/591470738.db2.gz DTWPXHNUCSPXTR-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP Cc1[nH+]c2cc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)ccc2n1C(CO)CO ZINC000894922687 591477898 /nfs/dbraw/zinc/47/78/98/591477898.db2.gz UCVWWNBKNQRYEX-HZPDHXFCSA-N 2 0 344.459 1.909 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000894989766 591509249 /nfs/dbraw/zinc/50/92/49/591509249.db2.gz MIENCRGHTHWPAA-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000896608669 591551306 /nfs/dbraw/zinc/55/13/06/591551306.db2.gz HZLJPDLLDWRGFE-GJZGRUSLSA-N 2 0 338.521 1.446 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000841029917 591580665 /nfs/dbraw/zinc/58/06/65/591580665.db2.gz OSTQUAGCEHIETA-UONOGXRCSA-N 2 0 333.423 1.238 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000899162399 591716033 /nfs/dbraw/zinc/71/60/33/591716033.db2.gz AIBGQUUOFQXDJO-UHFFFAOYSA-N 2 0 335.492 1.432 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)cc1 ZINC000899174803 591719088 /nfs/dbraw/zinc/71/90/88/591719088.db2.gz ZTHNBHKKSSVSDT-OALUTQOASA-N 2 0 343.471 1.406 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339616 591719398 /nfs/dbraw/zinc/71/93/98/591719398.db2.gz UMPOGCBIHDGXNV-FCGDIQPGSA-N 2 0 334.460 1.535 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)nc1 ZINC000895339731 591719554 /nfs/dbraw/zinc/71/95/54/591719554.db2.gz WVHXLEWEPSLFOO-GOSISDBHSA-N 2 0 327.428 1.947 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)n[nH]1 ZINC000895484376 591778562 /nfs/dbraw/zinc/77/85/62/591778562.db2.gz WSLOUFNPABBKFI-CYBMUJFWSA-N 2 0 346.460 1.873 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016989 591869548 /nfs/dbraw/zinc/86/95/48/591869548.db2.gz XCJYUZBSPWUFLP-UYAOXDASSA-N 2 0 345.487 1.744 20 0 EDADRP C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897352285 591887670 /nfs/dbraw/zinc/88/76/70/591887670.db2.gz HAKGMUKLDFLLQH-HZPDHXFCSA-N 2 0 349.519 1.866 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000900190225 591934883 /nfs/dbraw/zinc/93/48/83/591934883.db2.gz DETZYTXUGFMMIA-HKUYNNGSSA-N 2 0 339.524 1.706 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1(O)CCOCC1 ZINC000899865550 591968189 /nfs/dbraw/zinc/96/81/89/591968189.db2.gz HTLJOMWPQPHNFB-SFHVURJKSA-N 2 0 334.460 1.274 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000902461232 591999981 /nfs/dbraw/zinc/99/99/81/591999981.db2.gz MUDIRRVMQHMTDM-UGSOOPFHSA-N 2 0 329.448 1.939 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000902501064 592003112 /nfs/dbraw/zinc/00/31/12/592003112.db2.gz HRRRFWVWSPJZOH-IJXRJRJASA-N 2 0 343.471 1.599 20 0 EDADRP c1nc2n(c1C[NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CCOC2 ZINC000902511441 592004302 /nfs/dbraw/zinc/00/43/02/592004302.db2.gz DTOXYAPFRCFFNJ-APWZRJJASA-N 2 0 340.427 1.759 20 0 EDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1 ZINC000902518501 592009813 /nfs/dbraw/zinc/00/98/13/592009813.db2.gz LYTIMUOHFZENOF-GRYCIOLGSA-N 2 0 339.871 1.910 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2O)CC[NH2+]CC1 ZINC000902520226 592009838 /nfs/dbraw/zinc/00/98/38/592009838.db2.gz OASLTGJYAQCHMY-IAOVAPTHSA-N 2 0 332.444 1.556 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900429337 592015913 /nfs/dbraw/zinc/01/59/13/592015913.db2.gz PATWURJSPKMLLA-MJQMVNBJSA-N 2 0 337.508 1.697 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000900463527 592025875 /nfs/dbraw/zinc/02/58/75/592025875.db2.gz FYWLOIDXKXNXPJ-CALCHBBNSA-N 2 0 334.508 1.099 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903059031 592111188 /nfs/dbraw/zinc/11/11/88/592111188.db2.gz LZIOGFQXCSPFFW-VQTJNVASSA-N 2 0 345.487 1.342 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000903091225 592118444 /nfs/dbraw/zinc/11/84/44/592118444.db2.gz PNZYMKNDUQLANB-GJZGRUSLSA-N 2 0 340.512 1.658 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCCS(=O)(=O)C3)C2)[C@@H]1C(C)C ZINC000903118675 592123586 /nfs/dbraw/zinc/12/35/86/592123586.db2.gz FRYYQYKGHNSSHR-BIVLZKPYSA-N 2 0 344.521 1.023 20 0 EDADRP C[C@H]([NH2+]CCN1Cc2ccccc2OCC1=O)C1CC[NH+](C)CC1 ZINC000903181170 592132140 /nfs/dbraw/zinc/13/21/40/592132140.db2.gz FYCZORRCFOLYNL-HNNXBMFYSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000900883779 592156377 /nfs/dbraw/zinc/15/63/77/592156377.db2.gz SULQLIBHCLLFSJ-FDQGKXFDSA-N 2 0 328.416 1.505 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903441063 592170086 /nfs/dbraw/zinc/17/00/86/592170086.db2.gz IPVJEHOXGKURPZ-TVFCKZIOSA-N 2 0 336.524 1.236 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903492279 592184955 /nfs/dbraw/zinc/18/49/55/592184955.db2.gz AGJKURLNOWNARS-DAYGRLMNSA-N 2 0 332.400 1.186 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)ccc1C ZINC000903494689 592186712 /nfs/dbraw/zinc/18/67/12/592186712.db2.gz KSXOHIGNAKJNPP-KHYOSLBOSA-N 2 0 346.427 1.494 20 0 EDADRP COc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496414 592187554 /nfs/dbraw/zinc/18/75/54/592187554.db2.gz MVBUUONFTFQJHZ-HZSPNIEDSA-N 2 0 335.448 1.948 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)NCc1ccccc1 ZINC000903513173 592191835 /nfs/dbraw/zinc/19/18/35/592191835.db2.gz VWXYWDYZBKNRAX-KDURUIRLSA-N 2 0 342.487 1.203 20 0 EDADRP CCCc1nc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cs1 ZINC000903525053 592197931 /nfs/dbraw/zinc/19/79/31/592197931.db2.gz LVKYRVANTBRASY-PBHICJAKSA-N 2 0 336.505 1.832 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2csc(C3CC3)n2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525857 592198251 /nfs/dbraw/zinc/19/82/51/592198251.db2.gz SUUBHQGALAAYFA-ZBFHGGJFSA-N 2 0 334.489 1.757 20 0 EDADRP [NH3+]CC1(c2ccccc2)CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000903532751 592208603 /nfs/dbraw/zinc/20/86/03/592208603.db2.gz MQFVDRASUAXKTM-MRXNPFEDSA-N 2 0 337.489 1.061 20 0 EDADRP Cn1ccc([C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000903563475 592211297 /nfs/dbraw/zinc/21/12/97/592211297.db2.gz DRNXXZAOCFOCHM-AOIWGVFYSA-N 2 0 328.460 1.530 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000907959148 592234107 /nfs/dbraw/zinc/23/41/07/592234107.db2.gz HZBPLBTYTSIDHT-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H]1CCC[NH3+] ZINC000904354462 592237653 /nfs/dbraw/zinc/23/76/53/592237653.db2.gz ZBRISJNPFWYHSD-HUUCEWRRSA-N 2 0 336.484 1.816 20 0 EDADRP C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C(C)(C)C[NH+](C)C ZINC000906655634 592238482 /nfs/dbraw/zinc/23/84/82/592238482.db2.gz BIQPKYKCAAUCFF-ZDUSSCGKSA-N 2 0 348.491 1.911 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906658030 592239890 /nfs/dbraw/zinc/23/98/90/592239890.db2.gz BQOWSBCYLZUREW-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP COC(=O)c1cc2c(o1)c(OC)ccc2CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396727 592244166 /nfs/dbraw/zinc/24/41/66/592244166.db2.gz OCGCFNPLLFHXJF-UHFFFAOYSA-N 2 0 347.415 1.223 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000908020379 592268264 /nfs/dbraw/zinc/26/82/64/592268264.db2.gz HUYIQMGWYZZMEB-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000904472627 592268448 /nfs/dbraw/zinc/26/84/48/592268448.db2.gz NJFHZXHYAYDZEG-HKUYNNGSSA-N 3 0 330.476 1.255 20 0 EDADRP CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000904477690 592269397 /nfs/dbraw/zinc/26/93/97/592269397.db2.gz WVTXBIGKBZLIEK-UTYAYCDMSA-N 2 0 342.553 1.803 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)C1 ZINC000906697683 592271158 /nfs/dbraw/zinc/27/11/58/592271158.db2.gz PLMYQZYCUUGWKY-AWEZNQCLSA-N 2 0 344.459 1.465 20 0 EDADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000903733089 592280568 /nfs/dbraw/zinc/28/05/68/592280568.db2.gz JNOJIQVEGNHEJW-SFHVURJKSA-N 3 0 337.508 1.189 20 0 EDADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C[C@H]1COc2ccccc2O1 ZINC000903718678 592280587 /nfs/dbraw/zinc/28/05/87/592280587.db2.gz QOZRGYSEINEGOS-HOTGVXAUSA-N 2 0 332.444 1.917 20 0 EDADRP FC(F)(F)COCCC[NH+]1CCN(C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903726482 592285243 /nfs/dbraw/zinc/28/52/43/592285243.db2.gz MDFPXMUMDJCVQY-HNNXBMFYSA-N 2 0 337.430 1.963 20 0 EDADRP COc1cc2c(cc1OC)CC[NH+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903727875 592286124 /nfs/dbraw/zinc/28/61/24/592286124.db2.gz YOPZTBKLCQBNOI-XLIONFOSSA-N 2 0 346.471 1.873 20 0 EDADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732467 592287860 /nfs/dbraw/zinc/28/78/60/592287860.db2.gz DWFJNRUHSNTCPN-MDZRGWNJSA-N 2 0 341.459 1.677 20 0 EDADRP CCO[C@@H](C)c1noc(CN(C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735172 592297492 /nfs/dbraw/zinc/29/74/92/592297492.db2.gz YJDZUNKNQJUXQI-KBPBESRZSA-N 2 0 338.452 1.758 20 0 EDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C1CCN(CCn2cccn2)CC1 ZINC000903740045 592302341 /nfs/dbraw/zinc/30/23/41/592302341.db2.gz BXIJAVGSDFMTKI-RBUKOAKNSA-N 2 0 347.507 1.048 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)cc1 ZINC000906736842 592303279 /nfs/dbraw/zinc/30/32/79/592303279.db2.gz WQYHVBPJSUVOKX-KRWDZBQOSA-N 2 0 346.475 1.378 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000901272562 592308630 /nfs/dbraw/zinc/30/86/30/592308630.db2.gz MIUMNSLLAOMKKC-XWSJACJDSA-N 2 0 348.535 1.488 20 0 EDADRP [NH3+]C[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000903770856 592311337 /nfs/dbraw/zinc/31/13/37/592311337.db2.gz ZOLXECVOEAJZKL-MCIONIFRSA-N 3 0 335.414 1.604 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)NCc2cccnc2)CC1 ZINC000903793888 592317343 /nfs/dbraw/zinc/31/73/43/592317343.db2.gz WTGIOWJILYWTEG-UHFFFAOYSA-N 2 0 338.455 1.690 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1c1nc(N2CC[NH2+]CC2)no1 ZINC000904740646 592319820 /nfs/dbraw/zinc/31/98/20/592319820.db2.gz LLWCBFFTKIPYCP-HOCLYGCPSA-N 2 0 327.432 1.715 20 0 EDADRP OC[C@H]1c2ccccc2OCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788314 592322821 /nfs/dbraw/zinc/32/28/21/592322821.db2.gz IIIBLQCVFCKNOA-RDJZCZTQSA-N 2 0 332.444 1.573 20 0 EDADRP C/C(=C/C(=O)NCc1ccccc1-n1ccnc1)CN1CCOCC1 ZINC000901319517 592339587 /nfs/dbraw/zinc/33/95/87/592339587.db2.gz HVEHXQZBSWCVPX-VBKFSLOCSA-N 2 0 340.427 1.767 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903891058 592352342 /nfs/dbraw/zinc/35/23/42/592352342.db2.gz IWGAIXFMZBOUCF-VBZNHOPUSA-N 2 0 348.535 1.582 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCCc3cc(CC[NH3+])ccc32)CC1 ZINC000903871614 592353526 /nfs/dbraw/zinc/35/35/26/592353526.db2.gz XFPQYGADIAVDRV-UHFFFAOYSA-N 2 0 344.503 1.541 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3=NC[C@@H](C)S3)CC2)C1 ZINC000906806114 592354072 /nfs/dbraw/zinc/35/40/72/592354072.db2.gz IGSUCJZEZQTPAZ-CABCVRRESA-N 2 0 338.521 1.744 20 0 EDADRP O=C(CN1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCC1 ZINC000903879411 592359777 /nfs/dbraw/zinc/35/97/77/592359777.db2.gz AJDSYGMOKNQIKU-AYHJJNSGSA-N 2 0 334.508 1.147 20 0 EDADRP CC1CCC([NH+]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000903893246 592366432 /nfs/dbraw/zinc/36/64/32/592366432.db2.gz SVJLAGXDWDFCND-ABHNRTSZSA-N 2 0 346.523 1.899 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000903898157 592369194 /nfs/dbraw/zinc/36/91/94/592369194.db2.gz LCRFOUMKOQHJCT-IRXDYDNUSA-N 2 0 332.496 1.510 20 0 EDADRP [NH3+]CCCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903905186 592372702 /nfs/dbraw/zinc/37/27/02/592372702.db2.gz AJHHEPFIJVYNHU-QGZVFWFLSA-N 2 0 328.464 1.554 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cnn1C ZINC000903919577 592377141 /nfs/dbraw/zinc/37/71/41/592377141.db2.gz OIOWQPPXZHIWIN-APWZRJJASA-N 3 0 329.492 1.916 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2ccnc(-n3cccn3)c2)cnn1C ZINC000903923205 592378214 /nfs/dbraw/zinc/37/82/14/592378214.db2.gz NSZZSUHUUPTGCN-INIZCTEOSA-N 2 0 339.447 1.216 20 0 EDADRP CC(C)CC(=O)N1CCC([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903924899 592379305 /nfs/dbraw/zinc/37/93/05/592379305.db2.gz JSBYXTYOAVZDQZ-INIZCTEOSA-N 2 0 348.495 1.329 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000908206167 592384593 /nfs/dbraw/zinc/38/45/93/592384593.db2.gz DKEVIXXYFYMOFK-MRXNPFEDSA-N 2 0 347.438 1.617 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC000903934186 592386341 /nfs/dbraw/zinc/38/63/41/592386341.db2.gz DCYOYJRZJPDQSP-SNPRPXQTSA-N 2 0 347.429 1.305 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903934753 592386551 /nfs/dbraw/zinc/38/65/51/592386551.db2.gz JXSDCSDYXAWFGO-MBNYWOFBSA-N 2 0 346.401 1.162 20 0 EDADRP c1cc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000903917024 592388779 /nfs/dbraw/zinc/38/87/79/592388779.db2.gz JPVULWGTRRQQDF-KRWDZBQOSA-N 2 0 329.488 1.877 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccnn1-c1ccccc1)C2 ZINC000903977724 592399157 /nfs/dbraw/zinc/39/91/57/592399157.db2.gz XSUXFDYJOLRWJS-KHYOSLBOSA-N 2 0 340.427 1.585 20 0 EDADRP CCOc1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903980549 592400221 /nfs/dbraw/zinc/40/02/21/592400221.db2.gz UPMBEDXVEIKBLC-HDICACEKSA-N 2 0 330.476 1.881 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@@H]1CCOc3ccccc31)C2 ZINC000903978765 592400393 /nfs/dbraw/zinc/40/03/93/592400393.db2.gz LQQAGTQBUQURNS-ZTENYAIWSA-N 2 0 330.428 1.765 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987614 592406025 /nfs/dbraw/zinc/40/60/25/592406025.db2.gz HWAKVKWKKJPALJ-HUUCEWRRSA-N 2 0 336.505 1.595 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)cnn1C ZINC000903986696 592406133 /nfs/dbraw/zinc/40/61/33/592406133.db2.gz POPWAOLFEHCTGK-RDTXWAMCSA-N 2 0 349.479 1.056 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C[C@@H](O)c3ccccc3)C2)CC1 ZINC000905111216 592411772 /nfs/dbraw/zinc/41/17/72/592411772.db2.gz URMYWEPQUWTTPF-YSIASYRMSA-N 2 0 347.503 1.229 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4C[NH2+]CC4(C)C)n3)c2)CC1 ZINC000904104767 592426783 /nfs/dbraw/zinc/42/67/83/592426783.db2.gz WXXWVOCLCWXGLN-AWEZNQCLSA-N 2 0 342.447 1.596 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C1 ZINC000908319970 592432344 /nfs/dbraw/zinc/43/23/44/592432344.db2.gz ZIRQYBTXCGUGQT-PKOBYXMFSA-N 2 0 347.459 1.039 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@@H]2C1 ZINC000908291603 592434541 /nfs/dbraw/zinc/43/45/41/592434541.db2.gz UDTUAXBXLWXKBV-UMQBVGHOSA-N 2 0 335.492 1.288 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C2)C1 ZINC000908364350 592466385 /nfs/dbraw/zinc/46/63/85/592466385.db2.gz YYBJHVYEOSOJCP-FAFZWHIHSA-N 2 0 335.492 1.432 20 0 EDADRP COCC[C@H](N)c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000905305204 592499246 /nfs/dbraw/zinc/49/92/46/592499246.db2.gz RTRFLBNZSNRGLN-HNNXBMFYSA-N 2 0 332.404 1.605 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000907068212 592504093 /nfs/dbraw/zinc/50/40/93/592504093.db2.gz LQOAVQOKAXUNHN-IAGOWNOFSA-N 2 0 325.497 1.462 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000905473886 592536491 /nfs/dbraw/zinc/53/64/91/592536491.db2.gz PKSPURBHDMOTCG-CQSZACIVSA-N 2 0 346.302 1.734 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CC2(CCC2)CO1)CN1CCc2ccccc2C1 ZINC000905471975 592544459 /nfs/dbraw/zinc/54/44/59/592544459.db2.gz FEWQFBJTIJDAPO-RBUKOAKNSA-N 2 0 330.472 1.954 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000905603367 592575339 /nfs/dbraw/zinc/57/53/39/592575339.db2.gz ZHDUZHKCQQTMDH-PQUAAJSLSA-N 2 0 326.481 1.540 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000907262255 592575484 /nfs/dbraw/zinc/57/54/84/592575484.db2.gz XNBGAIRPOAYFFN-HNNXBMFYSA-N 2 0 339.480 1.110 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000907285673 592584521 /nfs/dbraw/zinc/58/45/21/592584521.db2.gz UELTWZPITCPKGK-KRWDZBQOSA-N 2 0 336.524 1.559 20 0 EDADRP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)C34CC[NH+](CC3)C4)C1)CCCC2 ZINC000907553838 592704965 /nfs/dbraw/zinc/70/49/65/592704965.db2.gz INMLHOJLYPQAPA-OAHLLOKOSA-N 2 0 328.460 1.940 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C1 ZINC000907601987 592728480 /nfs/dbraw/zinc/72/84/80/592728480.db2.gz ALBDZCVRKRGDPF-HZPDHXFCSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000906645012 592865736 /nfs/dbraw/zinc/86/57/36/592865736.db2.gz IJJVGQHBXXRIIX-KGLIPLIRSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+]1CCCC1 ZINC000906645784 592865810 /nfs/dbraw/zinc/86/58/10/592865810.db2.gz NSYHEFZUUZTSPY-CYBMUJFWSA-N 2 0 332.448 1.419 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000906645427 592865917 /nfs/dbraw/zinc/86/59/17/592865917.db2.gz MAGCDTLQBWCOJK-CYBMUJFWSA-N 2 0 344.459 1.419 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000910874952 592899369 /nfs/dbraw/zinc/89/93/69/592899369.db2.gz GBDQNOCVMFFYDK-QGZVFWFLSA-N 2 0 339.524 1.801 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000911702152 592990682 /nfs/dbraw/zinc/99/06/82/592990682.db2.gz JNCPDMWPTSDUSK-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911774728 593002711 /nfs/dbraw/zinc/00/27/11/593002711.db2.gz MFXAFEFKPNUPJA-QGZVFWFLSA-N 2 0 333.476 1.628 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[C@H](CN2CCOCC2)O1 ZINC000911811612 593015497 /nfs/dbraw/zinc/01/54/97/593015497.db2.gz TZBKBWLUBFNDBN-MSOLQXFVSA-N 2 0 345.443 1.151 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000912587923 593106595 /nfs/dbraw/zinc/10/65/95/593106595.db2.gz IDWCKLMANDDOII-QGZVFWFLSA-N 2 0 339.524 1.850 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)C1 ZINC000912594926 593107048 /nfs/dbraw/zinc/10/70/48/593107048.db2.gz JLFCHLQANDBVSP-QGZVFWFLSA-N 2 0 339.524 1.708 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)[N@H+]1C ZINC000838476026 593176982 /nfs/dbraw/zinc/17/69/82/593176982.db2.gz LJNCCQHOLAZFNE-UXLLHSPISA-N 2 0 338.496 1.364 20 0 EDADRP O[C@H](CN1CCN(c2cc[nH+]c3ccccc32)CC1)C[NH+]1CCCC1 ZINC000839005723 593250863 /nfs/dbraw/zinc/25/08/63/593250863.db2.gz XERHUFPFRMNZTL-KRWDZBQOSA-N 2 0 340.471 1.814 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809632468 593351077 /nfs/dbraw/zinc/35/10/77/593351077.db2.gz QSTKDNKYOJTUPY-UHFFFAOYSA-N 2 0 340.493 1.306 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)CC[NH2+]CC1 ZINC000817914017 593648051 /nfs/dbraw/zinc/64/80/51/593648051.db2.gz SUMXUGVIBAUAOR-CZUORRHYSA-N 2 0 340.489 1.867 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817935034 593650270 /nfs/dbraw/zinc/65/02/70/593650270.db2.gz FEJXYXXUSQQUNW-OAHLLOKOSA-N 2 0 332.448 1.589 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1nc(Br)cs1 ZINC000817936356 593650571 /nfs/dbraw/zinc/65/05/71/593650571.db2.gz NZBGZWUXCIVOHO-JTQLQIEISA-N 2 0 333.299 1.852 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000817989897 593654090 /nfs/dbraw/zinc/65/40/90/593654090.db2.gz WOWUPOUUWFSUJH-KRWDZBQOSA-N 2 0 346.475 1.046 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984925 593732525 /nfs/dbraw/zinc/73/25/25/593732525.db2.gz NABFVBQAEXKXQT-HOTGVXAUSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@H+](C)CC1 ZINC000819219671 593744898 /nfs/dbraw/zinc/74/48/98/593744898.db2.gz FOMQTYPJPLSKLG-CXAGYDPISA-N 2 0 338.473 1.364 20 0 EDADRP C[NH+](C)C1CCC([NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000819374794 593752428 /nfs/dbraw/zinc/75/24/28/593752428.db2.gz NNTUNJCJAMSBLX-UHFFFAOYSA-N 2 0 348.509 1.205 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583502 593869309 /nfs/dbraw/zinc/86/93/09/593869309.db2.gz XWUGUMVRNHRMOF-INIZCTEOSA-N 2 0 330.436 1.174 20 0 EDADRP CC(=O)N1CCN(CC[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000820807508 593894580 /nfs/dbraw/zinc/89/45/80/593894580.db2.gz JVJDGUKEPRCLDA-MRXNPFEDSA-N 2 0 332.492 1.563 20 0 EDADRP COc1cc(-c2noc(CC[C@H](C)[NH3+])n2)ccc1OCC[NH+](C)C ZINC000822925702 594123174 /nfs/dbraw/zinc/12/31/74/594123174.db2.gz IHVQDQWTCBYXGK-LBPRGKRZSA-N 2 0 334.420 1.965 20 0 EDADRP C[C@@H]([NH3+])CCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000822951503 594127776 /nfs/dbraw/zinc/12/77/76/594127776.db2.gz SXIQTGOUJKBKLB-CYBMUJFWSA-N 2 0 330.436 1.553 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H](C)[NH+](CCOC)[C@@H](C)C2)C1 ZINC000823044477 594143436 /nfs/dbraw/zinc/14/34/36/594143436.db2.gz GGEDFQDUXOXZEA-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000827863895 594293186 /nfs/dbraw/zinc/29/31/86/594293186.db2.gz RQLMWAZNEAGVAG-IBGZPJMESA-N 2 0 337.508 1.773 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNc2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000826029119 594309981 /nfs/dbraw/zinc/30/99/81/594309981.db2.gz OOLCKIKRKVEHCV-LBPRGKRZSA-N 2 0 327.436 1.894 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)n1 ZINC000826653944 594547370 /nfs/dbraw/zinc/54/73/70/594547370.db2.gz KITHVONNDCGPQY-QGZVFWFLSA-N 2 0 347.507 1.972 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827023523 594625670 /nfs/dbraw/zinc/62/56/70/594625670.db2.gz CRPDUJGBZXRHSQ-SFHVURJKSA-N 2 0 330.476 1.890 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827080628 594636227 /nfs/dbraw/zinc/63/62/27/594636227.db2.gz HXUUZCUKAJNAKM-IBGZPJMESA-N 2 0 344.503 1.568 20 0 EDADRP C[C@H](NC(=O)c1cccc(C[NH3+])c1)C1(N2CCOCC2)CCCC1 ZINC000831970555 594715594 /nfs/dbraw/zinc/71/55/94/594715594.db2.gz INEOEFXPJHCTCB-HNNXBMFYSA-N 2 0 331.460 1.909 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCNC(=O)C(F)(F)F)CC1 ZINC000832546002 594758067 /nfs/dbraw/zinc/75/80/67/594758067.db2.gz WCKKUTMCCWVOLS-UHFFFAOYSA-N 2 0 338.418 1.061 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1(C)C ZINC000832638895 594765969 /nfs/dbraw/zinc/76/59/69/594765969.db2.gz BFAFKPPXDVJFJJ-HUUCEWRRSA-N 2 0 341.496 1.821 20 0 EDADRP CN1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2F)[C@H](C[NH3+])C1 ZINC000841068303 594846942 /nfs/dbraw/zinc/84/69/42/594846942.db2.gz YSDNWRTZBDSJFJ-CYBMUJFWSA-N 2 0 349.410 1.059 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574383 594877482 /nfs/dbraw/zinc/87/74/82/594877482.db2.gz CUCDQMKLQPNXAZ-WMLDXEAASA-N 2 0 329.460 1.162 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841285120 594881120 /nfs/dbraw/zinc/88/11/20/594881120.db2.gz RYEGXNBTMFLXNN-XJKSGUPXSA-N 2 0 348.447 1.667 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000841310354 594883451 /nfs/dbraw/zinc/88/34/51/594883451.db2.gz NXCXRERCIIZBIA-IRXDYDNUSA-N 2 0 332.448 1.781 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000841741636 594946180 /nfs/dbraw/zinc/94/61/80/594946180.db2.gz XFKQTNCCHOFDSZ-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)C1CC1 ZINC000841847223 594964400 /nfs/dbraw/zinc/96/44/00/594964400.db2.gz SYRKUGLEQBHYJK-OAHLLOKOSA-N 2 0 331.416 1.661 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000843279737 595060656 /nfs/dbraw/zinc/06/06/56/595060656.db2.gz KOTBGVIYGAPZIF-OWCLPIDISA-N 2 0 342.553 1.386 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000843334097 595078057 /nfs/dbraw/zinc/07/80/57/595078057.db2.gz FSTKVUQYNKTAKO-RBSFLKMASA-N 2 0 345.443 1.874 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CCC[C@@H](C[NH3+])C1 ZINC000843347115 595081854 /nfs/dbraw/zinc/08/18/54/595081854.db2.gz RLGQKVFXWZGUJN-CVEARBPZSA-N 2 0 346.475 1.521 20 0 EDADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000843348908 595082652 /nfs/dbraw/zinc/08/26/52/595082652.db2.gz XQBHRZOTAFVDJA-WDEREUQCSA-N 2 0 331.420 1.655 20 0 EDADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000843364048 595088475 /nfs/dbraw/zinc/08/84/75/595088475.db2.gz MSCTWBVLERXPRF-GFCCVEGCSA-N 2 0 343.431 1.671 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000846144870 595156475 /nfs/dbraw/zinc/15/64/75/595156475.db2.gz KSJBEEWCTHHIKJ-DLBZAZTESA-N 2 0 332.448 1.068 20 0 EDADRP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047611 595272587 /nfs/dbraw/zinc/27/25/87/595272587.db2.gz YSFYAHDQIQZTKP-CYBMUJFWSA-N 2 0 339.871 1.026 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000844170030 595290218 /nfs/dbraw/zinc/29/02/18/595290218.db2.gz FPVWQDBVFHQBOT-HKUYNNGSSA-N 2 0 343.471 1.633 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170941 595290464 /nfs/dbraw/zinc/29/04/64/595290464.db2.gz UYKQUDKIUZJRIF-IXDOHACOSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844175669 595292446 /nfs/dbraw/zinc/29/24/46/595292446.db2.gz KCKKCTUNDOAVKX-OAGGEKHMSA-N 2 0 325.497 1.628 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000844187667 595297013 /nfs/dbraw/zinc/29/70/13/595297013.db2.gz MUSSALSBTHRIBE-BBWFWOEESA-N 2 0 341.496 1.008 20 0 EDADRP c1cc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)ccc1C[NH+]1CCCC1 ZINC000843172592 595298798 /nfs/dbraw/zinc/29/87/98/595298798.db2.gz FQUFPZONZYUBPH-INIZCTEOSA-N 2 0 328.416 1.863 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875527 595330430 /nfs/dbraw/zinc/33/04/30/595330430.db2.gz SKOBRPWPSPRUOV-CRAIPNDOSA-N 2 0 341.496 1.774 20 0 EDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875528 595330539 /nfs/dbraw/zinc/33/05/39/595330539.db2.gz SKOBRPWPSPRUOV-MAUKXSAKSA-N 2 0 341.496 1.774 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000848415827 595375694 /nfs/dbraw/zinc/37/56/94/595375694.db2.gz QKERYZPVGMSDLJ-PKOBYXMFSA-N 2 0 328.460 1.767 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(C[S@](C)=O)cc1 ZINC000849051101 595475206 /nfs/dbraw/zinc/47/52/06/595475206.db2.gz WRVWYTZBEAGIJP-HJPURHCSSA-N 2 0 336.505 1.663 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(F)cc1 ZINC000849067719 595477485 /nfs/dbraw/zinc/47/74/85/595477485.db2.gz YCYKVZBDJKACSG-OAHLLOKOSA-N 2 0 335.427 1.154 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCCC[NH+](C)CC(C)C)C[C@@H]1C ZINC000845321314 595479362 /nfs/dbraw/zinc/47/93/62/595479362.db2.gz ZXHKWEIBYRZORP-CALCHBBNSA-N 2 0 342.528 1.715 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])NC3CCC3)c2)C1 ZINC000849111817 595483975 /nfs/dbraw/zinc/48/39/75/595483975.db2.gz GWPSFMWASPFTCL-INIZCTEOSA-N 2 0 343.475 1.550 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849487305 595548228 /nfs/dbraw/zinc/54/82/28/595548228.db2.gz OPPCHWBSHXFRAJ-IRXDYDNUSA-N 2 0 349.523 1.690 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000849515954 595556731 /nfs/dbraw/zinc/55/67/31/595556731.db2.gz IAURYHYNERPOTL-SQNIBIBYSA-N 2 0 345.491 1.152 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC000852830419 595564855 /nfs/dbraw/zinc/56/48/55/595564855.db2.gz VMIHDDQOBKZFIN-LSDHHAIUSA-N 2 0 327.453 1.961 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579931 595580422 /nfs/dbraw/zinc/58/04/22/595580422.db2.gz SWOFHHSGTMPYBW-DLBZAZTESA-N 2 0 333.480 1.008 20 0 EDADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000852859983 595580982 /nfs/dbraw/zinc/58/09/82/595580982.db2.gz GTEUJOPQIXLOGA-HZPDHXFCSA-N 2 0 330.432 1.213 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc21 ZINC000852870717 595590172 /nfs/dbraw/zinc/59/01/72/595590172.db2.gz QIZNXRZVLWNNPW-CQSZACIVSA-N 2 0 329.404 1.245 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849613612 595597300 /nfs/dbraw/zinc/59/73/00/595597300.db2.gz UKTGIIIDEXRWFE-FGTMMUONSA-N 2 0 347.507 1.444 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](C3CCCCC3)C1)C2=O ZINC000853554257 595798734 /nfs/dbraw/zinc/79/87/34/595798734.db2.gz KMWIXYVEVBTYIK-INIZCTEOSA-N 2 0 348.491 1.862 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000858546915 595824281 /nfs/dbraw/zinc/82/42/81/595824281.db2.gz BCOJLOWVPPNZDW-MELADBBJSA-N 2 0 334.407 1.400 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]CC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000850423912 595832097 /nfs/dbraw/zinc/83/20/97/595832097.db2.gz ZGHWKIPZSIBVHW-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000851675882 595880254 /nfs/dbraw/zinc/88/02/54/595880254.db2.gz AAYQQOBLMQYXSE-MRXNPFEDSA-N 2 0 336.480 1.025 20 0 EDADRP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354042 595958798 /nfs/dbraw/zinc/95/87/98/595958798.db2.gz SAKUDRHQAJVNOY-RRQGHBQHSA-N 2 0 330.444 1.851 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000851934211 595975814 /nfs/dbraw/zinc/97/58/14/595975814.db2.gz GLFZEIGHWHEBFW-INIZCTEOSA-N 2 0 325.497 1.487 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@](O)(C(N)=O)c2ccccc2)cc1 ZINC000859212405 596005835 /nfs/dbraw/zinc/00/58/35/596005835.db2.gz JCRUKXDKAHNFQV-FQEVSTJZSA-N 2 0 341.455 1.553 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H]3CCCNC3=O)C2)ccn1 ZINC000856586441 596025140 /nfs/dbraw/zinc/02/51/40/596025140.db2.gz QSSYEAXJLASHAC-SJORKVTESA-N 2 0 332.448 1.265 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000861555803 596028955 /nfs/dbraw/zinc/02/89/55/596028955.db2.gz VHUFCGZMCHPQPE-MRXNPFEDSA-N 2 0 333.480 1.187 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000861685559 596068302 /nfs/dbraw/zinc/06/83/02/596068302.db2.gz PMKLCJOPFLHFHP-SJLPKXTDSA-N 2 0 332.492 1.943 20 0 EDADRP CC[C@@H](CO)[NH2+]CC(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000857331108 596213719 /nfs/dbraw/zinc/21/37/19/596213719.db2.gz YGZBCQZWORWULQ-KRWDZBQOSA-N 2 0 349.475 1.090 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000866714190 596306340 /nfs/dbraw/zinc/30/63/40/596306340.db2.gz IEJZMAKZKWETCI-SVGFKBNWSA-N 2 0 331.391 1.680 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870866122 596382797 /nfs/dbraw/zinc/38/27/97/596382797.db2.gz ODPXUVIQBJYZIW-HBFSDRIKSA-N 2 0 342.487 1.178 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CC[NH2+]CC3CC3)c2)CC1 ZINC000870873892 596385619 /nfs/dbraw/zinc/38/56/19/596385619.db2.gz WALRMCXZLWUVHG-UHFFFAOYSA-N 2 0 330.476 1.762 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870879441 596387461 /nfs/dbraw/zinc/38/74/61/596387461.db2.gz GMYXPHLZRHSZHT-CYBMUJFWSA-N 2 0 344.253 1.143 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000870888272 596391237 /nfs/dbraw/zinc/39/12/37/596391237.db2.gz LISCCSXTUIVHCP-YLFCFFPRSA-N 2 0 325.497 1.757 20 0 EDADRP O=C([C@@H]1CCCN(CC(F)F)C1)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000867857937 596588346 /nfs/dbraw/zinc/58/83/46/596588346.db2.gz PPUGBQGSPJFNSR-MCIONIFRSA-N 2 0 333.398 1.608 20 0 EDADRP CSC1(C[NH2+]Cc2cn(C[C@@H]3CCCO3)nn2)CC[NH+](C)CC1 ZINC000865573145 596614698 /nfs/dbraw/zinc/61/46/98/596614698.db2.gz CLZATGLLONGGPH-HNNXBMFYSA-N 2 0 339.509 1.374 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867967105 596637818 /nfs/dbraw/zinc/63/78/18/596637818.db2.gz XKSDLHJOFPBHBP-CYBMUJFWSA-N 2 0 326.238 1.565 20 0 EDADRP COc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1C ZINC000863641750 596640724 /nfs/dbraw/zinc/64/07/24/596640724.db2.gz AREXSJVSQGRLGW-AEFFLSMTSA-N 2 0 345.443 1.761 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@H](F)[C@@H]4CC[NH2+]C4)n3)c2)CC1 ZINC000863666035 596650157 /nfs/dbraw/zinc/65/01/57/596650157.db2.gz RJMSRMWZSRFEGC-IUODEOHRSA-N 2 0 346.410 1.504 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000863857752 596706393 /nfs/dbraw/zinc/70/63/93/596706393.db2.gz BUEFUJLDSRBWRK-UHFFFAOYSA-N 2 0 332.448 1.401 20 0 EDADRP CN1CCn2nc(NC(=O)Nc3ccc4c(c3)C[NH2+]CCO4)cc2C1 ZINC000868166657 596708135 /nfs/dbraw/zinc/70/81/35/596708135.db2.gz GDQJMDGOTBMMTD-UHFFFAOYSA-N 2 0 342.403 1.455 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncc3c(F)cccn32)C[C@H]1C[NH+](C)C ZINC000870016606 596709016 /nfs/dbraw/zinc/70/90/16/596709016.db2.gz QAGKWTJPCXOIJA-ZIAGYGMSSA-N 2 0 347.438 1.285 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2onc3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000870017458 596709447 /nfs/dbraw/zinc/70/94/47/596709447.db2.gz OKNURDCXPFLXQT-ZIAGYGMSSA-N 2 0 334.464 1.365 20 0 EDADRP Cn1ncc(C2CC2)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017363 596709714 /nfs/dbraw/zinc/70/97/14/596709714.db2.gz LPCGIRKLXNLZPA-HUUCEWRRSA-N 2 0 333.480 1.109 20 0 EDADRP COc1cnc(F)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870018230 596710127 /nfs/dbraw/zinc/71/01/27/596710127.db2.gz XVCIQHMYXYPIGY-CHWSQXEVSA-N 2 0 338.427 1.041 20 0 EDADRP CCc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)nn1 ZINC000870019851 596711449 /nfs/dbraw/zinc/71/14/49/596711449.db2.gz SXSPRZGNPHASKE-HUUCEWRRSA-N 2 0 333.480 1.159 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccc(F)c2F)C[C@H]1C[NH+](C)C ZINC000870020062 596711529 /nfs/dbraw/zinc/71/15/29/596711529.db2.gz BCODAHOKEUESTP-HUUCEWRRSA-N 2 0 339.430 1.705 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868180072 596713288 /nfs/dbraw/zinc/71/32/88/596713288.db2.gz HRHLIQLZYLTTET-XOKHGSTOSA-N 2 0 346.475 1.810 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000868178979 596713415 /nfs/dbraw/zinc/71/34/15/596713415.db2.gz ZCDGXTTXKUWWQH-OKZBNKHCSA-N 2 0 344.459 1.876 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868243700 596743017 /nfs/dbraw/zinc/74/30/17/596743017.db2.gz LNDFDZLAFFOSTC-RRQGHBQHSA-N 2 0 344.459 1.288 20 0 EDADRP CCCNC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000866012661 596758095 /nfs/dbraw/zinc/75/80/95/596758095.db2.gz MSKDLQPPIJRIJT-IAGOWNOFSA-N 2 0 347.507 1.397 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)c1 ZINC000868305359 596780143 /nfs/dbraw/zinc/78/01/43/596780143.db2.gz XLDFUQXIZGYTFQ-SHTZXODSSA-N 2 0 332.448 1.320 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)ccc1C ZINC000872143810 596809242 /nfs/dbraw/zinc/80/92/42/596809242.db2.gz QSJOWPCSPOEWSW-MRXNPFEDSA-N 2 0 345.443 1.178 20 0 EDADRP COC(=O)CC[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000872153669 596814829 /nfs/dbraw/zinc/81/48/29/596814829.db2.gz GLFCSSIIUJTMSU-SQNIBIBYSA-N 2 0 334.460 1.583 20 0 EDADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000872154842 596815737 /nfs/dbraw/zinc/81/57/37/596815737.db2.gz BYSRYXSMXCLJKN-OAHLLOKOSA-N 2 0 335.448 1.394 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1)C1CCCC1 ZINC000872156206 596816059 /nfs/dbraw/zinc/81/60/59/596816059.db2.gz GEEDSEULDUTTHV-CGTJXYLNSA-N 2 0 337.508 1.901 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@@]2(C[NH3+])CCCOC2)n1 ZINC000872174156 596820516 /nfs/dbraw/zinc/82/05/16/596820516.db2.gz FVLJCPRMEHISHC-GOSISDBHSA-N 2 0 346.431 1.684 20 0 EDADRP CC(C)OC[C@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000872200104 596832385 /nfs/dbraw/zinc/83/23/85/596832385.db2.gz NNXYTJQRHPRKOT-MOPGFXCFSA-N 2 0 335.492 1.351 20 0 EDADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000872222937 596842090 /nfs/dbraw/zinc/84/20/90/596842090.db2.gz JLPKYJOTYIYRJB-QGZVFWFLSA-N 2 0 328.497 1.379 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872249318 596853681 /nfs/dbraw/zinc/85/36/81/596853681.db2.gz KHMKWWBQNPKGQN-GXTWGEPZSA-N 2 0 346.397 1.359 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CCN(Cc2cnc(C3CCC3)s2)C1 ZINC000872255077 596855917 /nfs/dbraw/zinc/85/59/17/596855917.db2.gz JIKWXSQDILUSTN-AEGPPILISA-N 2 0 348.472 1.778 20 0 EDADRP C[C@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257376 596857686 /nfs/dbraw/zinc/85/76/86/596857686.db2.gz QMCRQASOKSZQMR-DDBAPUKQSA-N 2 0 329.444 1.732 20 0 EDADRP C[C@@H]([NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000864370475 596872392 /nfs/dbraw/zinc/87/23/92/596872392.db2.gz PUBIRBFYRVVIKN-HIFRSBDPSA-N 2 0 330.436 1.327 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000872304541 596875416 /nfs/dbraw/zinc/87/54/16/596875416.db2.gz YMZVBIXVZANSRW-QDHTYBEDSA-N 2 0 343.471 1.774 20 0 EDADRP O=C1N(CN2CCC(C[NH+]3CCOCC3)CC2)CCC12CCCC2 ZINC000872561644 596965657 /nfs/dbraw/zinc/96/56/57/596965657.db2.gz XMOYDKKKUYMKBU-UHFFFAOYSA-N 2 0 335.492 1.781 20 0 EDADRP CCC1(CC)CCN(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1=O ZINC000872636247 597002538 /nfs/dbraw/zinc/00/25/38/597002538.db2.gz KEMDLQLXMVPGSW-IAGOWNOFSA-N 2 0 338.540 1.654 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000874433010 597076698 /nfs/dbraw/zinc/07/66/98/597076698.db2.gz TYDYGUZCVKIGRH-FCGDIQPGSA-N 2 0 344.503 1.989 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000876109590 597093689 /nfs/dbraw/zinc/09/36/89/597093689.db2.gz PWBFECUEJDDPCR-BHBVFMNGSA-N 2 0 338.496 1.412 20 0 EDADRP CCOC1CC2(C[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000876434695 597204604 /nfs/dbraw/zinc/20/46/04/597204604.db2.gz RBZVQFKCQFUPPX-ISXOHVOVSA-N 2 0 326.485 1.079 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518886 597227794 /nfs/dbraw/zinc/22/77/94/597227794.db2.gz LODHTSQYAQOGCL-CVEARBPZSA-N 2 0 345.443 1.907 20 0 EDADRP CC[C@H](C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[NH+](C)C ZINC000876521814 597229247 /nfs/dbraw/zinc/22/92/47/597229247.db2.gz XNMHZYHXHBBDRK-CZUORRHYSA-N 2 0 333.432 1.874 20 0 EDADRP CC1(C)CC[C@H](CNC2CC[NH+](CCN3CCOCC3)CC2)[NH2+]C1 ZINC000873234261 597235117 /nfs/dbraw/zinc/23/51/17/597235117.db2.gz DVLNDMFNAHCUPX-GOSISDBHSA-N 2 0 338.540 1.151 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000874998709 597237637 /nfs/dbraw/zinc/23/76/37/597237637.db2.gz JELNOQQIKRUAKM-HNNXBMFYSA-N 2 0 326.485 1.004 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000873262832 597242413 /nfs/dbraw/zinc/24/24/13/597242413.db2.gz PZSOAICXQCTNRX-RRQGHBQHSA-N 2 0 332.448 1.054 20 0 EDADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289329 597248825 /nfs/dbraw/zinc/24/88/25/597248825.db2.gz HPTAPDZOHXGZCA-IAGOWNOFSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@@H]1C ZINC000875071809 597269913 /nfs/dbraw/zinc/26/99/13/597269913.db2.gz NHAANGNOWSMGLK-XHSDSOJGSA-N 2 0 340.512 1.394 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000875091737 597278119 /nfs/dbraw/zinc/27/81/19/597278119.db2.gz MFHLSVRWDSULLL-KRWDZBQOSA-N 2 0 348.491 1.393 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876736356 597313899 /nfs/dbraw/zinc/31/38/99/597313899.db2.gz JXZQUKMGHGGLHJ-BBRMVZONSA-N 2 0 327.432 1.444 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000876742339 597317762 /nfs/dbraw/zinc/31/77/62/597317762.db2.gz XIPYCFPSEHGHCA-BBWFWOEESA-N 2 0 325.472 1.905 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)ccc2oc1=O ZINC000876747252 597319790 /nfs/dbraw/zinc/31/97/90/597319790.db2.gz ZJCWLDMSJFSSMB-SWLSCSKDSA-N 2 0 346.431 1.468 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876751876 597321805 /nfs/dbraw/zinc/32/18/05/597321805.db2.gz ZXGLZXWQSRIAMC-CVEARBPZSA-N 2 0 333.480 1.720 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000876759295 597326358 /nfs/dbraw/zinc/32/63/58/597326358.db2.gz OJARTWUWVICDTG-GDBMZVCRSA-N 2 0 341.471 1.474 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000876763197 597328156 /nfs/dbraw/zinc/32/81/56/597328156.db2.gz JHMOHPDJQSNMEU-KBPBESRZSA-N 2 0 327.375 1.796 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000876765005 597329523 /nfs/dbraw/zinc/32/95/23/597329523.db2.gz QCRZXCJADMKXPV-YHUYYLMFSA-N 2 0 329.460 1.187 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000876771510 597333377 /nfs/dbraw/zinc/33/33/77/597333377.db2.gz TWAYLUQIEKHYFF-NPYXIHBLSA-N 2 0 345.491 1.861 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774533 597334487 /nfs/dbraw/zinc/33/44/87/597334487.db2.gz YSGJAZXJXBAMIP-OSJSJHBBSA-N 2 0 335.492 1.646 20 0 EDADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775152 597335865 /nfs/dbraw/zinc/33/58/65/597335865.db2.gz PJXQGLNOAJZRBP-IPLHWJFFSA-N 2 0 349.519 1.941 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782525 597338744 /nfs/dbraw/zinc/33/87/44/597338744.db2.gz WTVIYHBWWJOLJJ-AEFFLSMTSA-N 2 0 348.466 1.710 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782532 597338911 /nfs/dbraw/zinc/33/89/11/597338911.db2.gz WTVIYHBWWJOLJJ-WMZOPIPTSA-N 2 0 348.466 1.710 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000876871175 597364051 /nfs/dbraw/zinc/36/40/51/597364051.db2.gz QVZAGBCLYISVCS-GHMZBOCLSA-N 2 0 333.358 1.126 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876879078 597367194 /nfs/dbraw/zinc/36/71/94/597367194.db2.gz NLWPPAFDMCPEHF-UHFFFAOYSA-N 2 0 340.493 1.260 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876916410 597383907 /nfs/dbraw/zinc/38/39/07/597383907.db2.gz BDXKFFFYVOTSEK-ZWKOTPCHSA-N 2 0 343.471 1.393 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876962303 597399106 /nfs/dbraw/zinc/39/91/06/597399106.db2.gz OSBGAJDXAQLCOL-IRXDYDNUSA-N 2 0 334.439 1.357 20 0 EDADRP CC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCCO1 ZINC000875425284 597423246 /nfs/dbraw/zinc/42/32/46/597423246.db2.gz NTLLRWBXGFXBEI-QBPKDAKJSA-N 2 0 340.512 1.325 20 0 EDADRP Cc1ccncc1[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875447400 597431971 /nfs/dbraw/zinc/43/19/71/597431971.db2.gz PTRIAONJUOIHNO-GVDBMIGSSA-N 2 0 347.507 1.832 20 0 EDADRP CCOC(=O)N[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC(C)C ZINC000877145577 597442872 /nfs/dbraw/zinc/44/28/72/597442872.db2.gz LZVYZZVSHZAHLN-MRXNPFEDSA-N 2 0 343.512 1.972 20 0 EDADRP CCO[C@H]1COCC[C@H]1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877198963 597459359 /nfs/dbraw/zinc/45/93/59/597459359.db2.gz BDBHNWGEUDIWEY-HOCLYGCPSA-N 2 0 348.447 1.261 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201861 597460817 /nfs/dbraw/zinc/46/08/17/597460817.db2.gz RREHTZSQSDACIO-LJQANCHMSA-N 2 0 345.487 1.783 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877236494 597473548 /nfs/dbraw/zinc/47/35/48/597473548.db2.gz BGUMRNBDEFWTIY-RCCFBDPRSA-N 2 0 331.460 1.823 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877238765 597474757 /nfs/dbraw/zinc/47/47/57/597474757.db2.gz GBBLVSYDQGQEAW-PBOWOALBSA-N 2 0 329.444 1.360 20 0 EDADRP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000877255371 597481128 /nfs/dbraw/zinc/48/11/28/597481128.db2.gz UVMJNZZEAGINMM-INIZCTEOSA-N 2 0 344.503 1.552 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353459 597499049 /nfs/dbraw/zinc/49/90/49/597499049.db2.gz QYZAXQSHYCZQLK-CMKODMSKSA-N 2 0 344.503 1.246 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c1cccc(Br)c1)C2 ZINC000877372161 597503806 /nfs/dbraw/zinc/50/38/06/597503806.db2.gz ZWYVOPUISSWPEN-CORIIIEPSA-N 2 0 338.249 1.517 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877444720 597516512 /nfs/dbraw/zinc/51/65/12/597516512.db2.gz PAJWFFKBFZWPQA-CZUORRHYSA-N 2 0 333.480 1.639 20 0 EDADRP COCC[N@@H+](Cc1cc(C)c(C(=O)OC)[nH]1)CC1CC[NH+](C)CC1 ZINC000877663939 597546122 /nfs/dbraw/zinc/54/61/22/597546122.db2.gz DUSIHYMREJKOOR-UHFFFAOYSA-N 2 0 337.464 1.900 20 0 EDADRP COCCOc1ccccc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669618 597546532 /nfs/dbraw/zinc/54/65/32/597546532.db2.gz QXBBDNACMANBHM-RTBURBONSA-N 2 0 349.519 1.883 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000878009952 597569372 /nfs/dbraw/zinc/56/93/72/597569372.db2.gz AQQSIRWBZNBYQX-QGZVFWFLSA-N 2 0 345.491 1.963 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC000878118124 597579887 /nfs/dbraw/zinc/57/98/87/597579887.db2.gz GCBLMWUCKFEUBV-ZDUSSCGKSA-N 2 0 337.386 1.240 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](COCc3ccccc3)C2)CC1 ZINC000878136727 597581004 /nfs/dbraw/zinc/58/10/04/597581004.db2.gz GBSOHXCEENPJEG-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP CC[C@](C)(O)C[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878484632 597610836 /nfs/dbraw/zinc/61/08/36/597610836.db2.gz UEVXVNOQUCJAPR-FQEVSTJZSA-N 2 0 347.503 1.860 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000879527852 597619014 /nfs/dbraw/zinc/61/90/14/597619014.db2.gz BTJARHLAQUJERF-FGTMMUONSA-N 2 0 335.492 1.357 20 0 EDADRP C[N@H+](CCCOCc1ccccc1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878551800 597631788 /nfs/dbraw/zinc/63/17/88/597631788.db2.gz ILCVIKKXQWDENO-UHFFFAOYSA-N 2 0 333.476 1.736 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133847 597662541 /nfs/dbraw/zinc/66/25/41/597662541.db2.gz JMNAFUGBWHEPAB-JFIYKMOQSA-N 2 0 343.475 1.929 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000883300246 597705926 /nfs/dbraw/zinc/70/59/26/597705926.db2.gz RPJSUASKZVOWOB-KBPBESRZSA-N 2 0 331.526 1.557 20 0 EDADRP O=C([C@H]1CCC[N@@H+](CC[C@@H]2CCCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000883416098 597739186 /nfs/dbraw/zinc/73/91/86/597739186.db2.gz LZLIJJWTZIZHSD-GJZGRUSLSA-N 2 0 329.435 1.956 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883436300 597745786 /nfs/dbraw/zinc/74/57/86/597745786.db2.gz PFZVLQMXPXTPQS-DOTOQJQBSA-N 2 0 343.475 1.786 20 0 EDADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000883438092 597746683 /nfs/dbraw/zinc/74/66/83/597746683.db2.gz KGCCEACRMZQPQJ-ZWKOTPCHSA-N 2 0 338.492 1.805 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000883448266 597750801 /nfs/dbraw/zinc/75/08/01/597750801.db2.gz ZCCNWOYZLUJAEO-KRWDZBQOSA-N 2 0 330.476 1.187 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(C[NH3+])CCCCC1 ZINC000883454125 597754138 /nfs/dbraw/zinc/75/41/38/597754138.db2.gz PYGSYGGAFRYDPA-GOSISDBHSA-N 2 0 346.519 1.999 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586277 597814215 /nfs/dbraw/zinc/81/42/15/597814215.db2.gz IGDUORZBMKVWCD-PBHICJAKSA-N 2 0 331.464 1.830 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000883654812 597850144 /nfs/dbraw/zinc/85/01/44/597850144.db2.gz OEFBUABRZJIVTG-UHFFFAOYSA-N 2 0 338.496 1.095 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000880223997 597876433 /nfs/dbraw/zinc/87/64/33/597876433.db2.gz YOMXPLKICHZWSR-IZAXUBKRSA-N 2 0 331.460 1.227 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883728121 597877869 /nfs/dbraw/zinc/87/78/69/597877869.db2.gz JGIUVBFVCHJHEL-JKSUJKDBSA-N 2 0 331.464 1.786 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884012586 597968308 /nfs/dbraw/zinc/96/83/08/597968308.db2.gz OPFCMMOTJOCHJU-CYBMUJFWSA-N 2 0 326.238 1.565 20 0 EDADRP [NH3+]CC1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884012112 597968344 /nfs/dbraw/zinc/96/83/44/597968344.db2.gz ZLTIOOMEWZLYDU-ZDUSSCGKSA-N 2 0 326.238 1.646 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000884023501 597971140 /nfs/dbraw/zinc/97/11/40/597971140.db2.gz NXWSLUSLCOLVST-HNNXBMFYSA-N 2 0 345.443 1.780 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000884188666 598019776 /nfs/dbraw/zinc/01/97/76/598019776.db2.gz NEJOOJIKBVRVDJ-RHSMWYFYSA-N 2 0 328.460 1.886 20 0 EDADRP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884192248 598021255 /nfs/dbraw/zinc/02/12/55/598021255.db2.gz AGDSVVQOECKZTJ-DYVFJYSZSA-N 2 0 327.428 1.903 20 0 EDADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000884206540 598028829 /nfs/dbraw/zinc/02/88/29/598028829.db2.gz XUHJFDRIAWAZAK-KSZLIROESA-N 2 0 338.540 1.638 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884228459 598036731 /nfs/dbraw/zinc/03/67/31/598036731.db2.gz QOQUYPDDWDUEFB-INIZCTEOSA-N 2 0 345.491 1.295 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000884249225 598042712 /nfs/dbraw/zinc/04/27/12/598042712.db2.gz GSYNYJLOPRAKEW-UHFFFAOYSA-N 2 0 343.431 1.658 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCC(C)(C)CO2)C[C@H]1C[NH+](C)C ZINC000881020892 598054202 /nfs/dbraw/zinc/05/42/02/598054202.db2.gz RFRKKQRSDOYTDL-BRWVUGGUSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)c1 ZINC000884288042 598055510 /nfs/dbraw/zinc/05/55/10/598055510.db2.gz TYOAOPTZQDAWLA-LBPRGKRZSA-N 2 0 346.456 1.810 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000884385011 598088058 /nfs/dbraw/zinc/08/80/58/598088058.db2.gz BXYVXZLYZDNGMP-UHFFFAOYSA-N 2 0 331.391 1.813 20 0 EDADRP CC[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2CC)ncc1OC ZINC000882960926 598117521 /nfs/dbraw/zinc/11/75/21/598117521.db2.gz ZJFGRTZWQORAAR-KBPBESRZSA-N 2 0 334.468 1.497 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCCc1ccccc1 ZINC000914059698 695047123 /nfs/dbraw/zinc/04/71/23/695047123.db2.gz MVIJAGVJEYIMPE-UHFFFAOYSA-N 2 0 341.521 1.374 20 0 EDADRP Cc1sc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000914059705 695047198 /nfs/dbraw/zinc/04/71/98/695047198.db2.gz NEYMFAJGUQHOSN-UHFFFAOYSA-N 2 0 347.550 1.787 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000925412763 695560691 /nfs/dbraw/zinc/56/06/91/695560691.db2.gz XRXRJVKWBQLHNP-SJLPKXTDSA-N 2 0 330.476 1.997 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000915154012 695752801 /nfs/dbraw/zinc/75/28/01/695752801.db2.gz RJNFBRNIZAQYMB-HBPKQKSZSA-N 2 0 340.512 1.106 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993575611 696229628 /nfs/dbraw/zinc/22/96/28/696229628.db2.gz OGLZTQAOGPFXAV-ZBFHGGJFSA-N 2 0 343.431 1.496 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000993987259 696483024 /nfs/dbraw/zinc/48/30/24/696483024.db2.gz MFCZJXNZKWMNQS-RHSMWYFYSA-N 2 0 333.480 1.437 20 0 EDADRP Cc1cccc(NCCNC(=O)N[C@H](C)[C@H](C)N2CCOCC2)n1 ZINC000917008187 696874959 /nfs/dbraw/zinc/87/49/59/696874959.db2.gz YEZXWZXVVGLZRP-CABCVRRESA-N 2 0 335.452 1.210 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCC2(F)F)C1 ZINC001031585171 697280741 /nfs/dbraw/zinc/28/07/41/697280741.db2.gz RDGSAETWICNQDE-LSDHHAIUSA-N 2 0 329.435 1.954 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000920505542 697440495 /nfs/dbraw/zinc/44/04/95/697440495.db2.gz AUWOXDPJKSXOBR-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031666389 697444014 /nfs/dbraw/zinc/44/40/14/697444014.db2.gz OLWSAIRMHCONPI-LJQANCHMSA-N 2 0 345.487 1.986 20 0 EDADRP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688861 697527623 /nfs/dbraw/zinc/52/76/23/697527623.db2.gz MUDSRSFJVITTLL-OALUTQOASA-N 2 0 343.471 1.406 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000921274111 697541914 /nfs/dbraw/zinc/54/19/14/697541914.db2.gz ORZKHOHFIUPUNS-KRWDZBQOSA-N 2 0 334.533 1.924 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1)[NH+](C)C ZINC000938348020 697908084 /nfs/dbraw/zinc/90/80/84/697908084.db2.gz NOWBSNVZGNCRTQ-GOEBONIOSA-N 2 0 343.431 1.005 20 0 EDADRP O=C(NCC1C[NH+](CC2CCC2)C1)c1cnn(-c2ccncc2)c1 ZINC001032079333 698265356 /nfs/dbraw/zinc/26/53/56/698265356.db2.gz VOOPRJNFARFVGQ-UHFFFAOYSA-N 2 0 325.416 1.729 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943513855 698427001 /nfs/dbraw/zinc/42/70/01/698427001.db2.gz ARRZVPYOAUTOGL-WBVHZDCISA-N 2 0 335.496 1.541 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001032095384 698651218 /nfs/dbraw/zinc/65/12/18/698651218.db2.gz YBDQUNBJHGIGOI-ICSRJNTNSA-N 2 0 349.519 1.581 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939055500 699116501 /nfs/dbraw/zinc/11/65/01/699116501.db2.gz ZMURZYDGPGBBQT-GUYCJALGSA-N 2 0 334.439 1.499 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939137053 699223926 /nfs/dbraw/zinc/22/39/26/699223926.db2.gz DPNRXKIYBYFLSL-WBVHZDCISA-N 2 0 347.507 1.131 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939132128 699230841 /nfs/dbraw/zinc/23/08/41/699230841.db2.gz FNXKCOPGQGQFBA-WMLDXEAASA-N 2 0 347.507 1.397 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567349 701579745 /nfs/dbraw/zinc/57/97/45/701579745.db2.gz ROTDBNHNNYUEOD-KRWDZBQOSA-N 2 0 336.524 1.203 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cncn2C)C1 ZINC001031802470 699364506 /nfs/dbraw/zinc/36/45/06/699364506.db2.gz RRZBTKDIPSLURD-QGZVFWFLSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)ncn1 ZINC000939259076 699436708 /nfs/dbraw/zinc/43/67/08/699436708.db2.gz SWIGALCZNZYYGE-KSSFIOAISA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939259986 699438319 /nfs/dbraw/zinc/43/83/19/699438319.db2.gz YRQYZGZQBHJKDE-MAUKXSAKSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC001031816620 699517036 /nfs/dbraw/zinc/51/70/36/699517036.db2.gz HIZGSWQCAALTQP-GUYCJALGSA-N 2 0 328.416 1.563 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639733 701603182 /nfs/dbraw/zinc/60/31/82/701603182.db2.gz XNLKTUFHPCMHEE-SJORKVTESA-N 2 0 336.524 1.203 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165002 701604802 /nfs/dbraw/zinc/60/48/02/701604802.db2.gz CMNQNBHOLAQMEC-HUUCEWRRSA-N 2 0 332.448 1.453 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941675001 701614829 /nfs/dbraw/zinc/61/48/29/701614829.db2.gz PJXXEYFRVHMNAP-KRWDZBQOSA-N 2 0 340.487 1.049 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995004366 699902684 /nfs/dbraw/zinc/90/26/84/699902684.db2.gz CZKCBTXKSYZSJE-RDJZCZTQSA-N 2 0 346.475 1.986 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166165 701620119 /nfs/dbraw/zinc/62/01/19/701620119.db2.gz GGZFKOQIWIOJAW-HUUCEWRRSA-N 2 0 348.516 1.922 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939808870 699957626 /nfs/dbraw/zinc/95/76/26/699957626.db2.gz GUHHORBKUZKFKW-WMZOPIPTSA-N 2 0 347.507 1.275 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939810179 699958439 /nfs/dbraw/zinc/95/84/39/699958439.db2.gz LEFPIOGSWXOYMA-UKRRQHHQSA-N 2 0 337.493 1.351 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000940148909 700281408 /nfs/dbraw/zinc/28/14/08/700281408.db2.gz FURIEVHPJIHDMS-INIZCTEOSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000940149941 700283369 /nfs/dbraw/zinc/28/33/69/700283369.db2.gz SJNNZNFBKXTTCC-QGZVFWFLSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C34CCC[NH+]3CCC4)CC2)[nH]1 ZINC000940200613 700359291 /nfs/dbraw/zinc/35/92/91/700359291.db2.gz VLDJTNHKPTUUSO-UHFFFAOYSA-N 2 0 346.479 1.212 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296817 700469233 /nfs/dbraw/zinc/46/92/33/700469233.db2.gz YKPZFGGMKWAZSY-UHFFFAOYSA-N 2 0 335.452 1.191 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nncn3C)CC2)CC[N@@H+]1C ZINC000940282276 700471172 /nfs/dbraw/zinc/47/11/72/700471172.db2.gz LRCMHSXXUOGWBH-GJZGRUSLSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nc1 ZINC000940305620 700487933 /nfs/dbraw/zinc/48/79/33/700487933.db2.gz DFPRJJKYWOTGEQ-QGZVFWFLSA-N 2 0 347.507 1.842 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000940373132 700556032 /nfs/dbraw/zinc/55/60/32/700556032.db2.gz FDALFWUXHPRWTC-HZPDHXFCSA-N 2 0 347.463 1.557 20 0 EDADRP CC1([NH2+]Cc2ccns2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427584 700621490 /nfs/dbraw/zinc/62/14/90/700621490.db2.gz LGRCADLWXDDYCP-UHFFFAOYSA-N 2 0 334.489 1.710 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)[nH]1 ZINC000940472177 700657538 /nfs/dbraw/zinc/65/75/38/700657538.db2.gz MEQNQQZBCSWLEF-ZIAGYGMSSA-N 2 0 348.495 1.457 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995082023 700700541 /nfs/dbraw/zinc/70/05/41/700700541.db2.gz XAAMHRHZUSDMGB-YJBOKZPZSA-N 2 0 345.491 1.501 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081423 700711444 /nfs/dbraw/zinc/71/14/44/700711444.db2.gz VADLTKKBDXNRPZ-GOEBONIOSA-N 2 0 334.464 1.699 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940843206 700939408 /nfs/dbraw/zinc/93/94/08/700939408.db2.gz ZEVVHTNAPHFKND-IRXDYDNUSA-N 2 0 347.507 1.584 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001031922792 701091621 /nfs/dbraw/zinc/09/16/21/701091621.db2.gz JZIVMULROITSOG-QFBILLFUSA-N 2 0 345.487 1.905 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091141 701134373 /nfs/dbraw/zinc/13/43/73/701134373.db2.gz NGXGVMPAJZDXMW-KRWDZBQOSA-N 2 0 349.523 1.931 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999168226 706595890 /nfs/dbraw/zinc/59/58/90/706595890.db2.gz GYVKYTMVQCJWGB-DAWZGUTISA-N 2 0 346.475 1.936 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccnn3C)C2)CC1 ZINC000995131054 701398755 /nfs/dbraw/zinc/39/87/55/701398755.db2.gz DUQSSUFIFGLCNP-IRXDYDNUSA-N 2 0 347.507 1.527 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cncn3C)C2)CC1 ZINC000995133431 701407805 /nfs/dbraw/zinc/40/78/05/701407805.db2.gz LXYSYZCCAQKGTR-IAGOWNOFSA-N 2 0 347.507 1.527 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999170380 706599856 /nfs/dbraw/zinc/59/98/56/706599856.db2.gz PTDAYWYCWCMCEC-IRXDYDNUSA-N 2 0 346.475 1.659 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170826 706600351 /nfs/dbraw/zinc/60/03/51/706600351.db2.gz SRNLBXLRBJKGIX-WBVHZDCISA-N 2 0 348.516 1.874 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999173423 706604734 /nfs/dbraw/zinc/60/47/34/706604734.db2.gz JLLLOOKGKKIKBA-SJORKVTESA-N 2 0 346.475 1.714 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000999173652 706605182 /nfs/dbraw/zinc/60/51/82/706605182.db2.gz LIPVYFNFWLXJDC-AEFFLSMTSA-N 2 0 343.475 1.207 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941436777 701540118 /nfs/dbraw/zinc/54/01/18/701540118.db2.gz GEMLHPQZJBTWKW-LJQANCHMSA-N 2 0 348.535 1.630 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941455531 701548693 /nfs/dbraw/zinc/54/86/93/701548693.db2.gz UCTPUHOFQWCGHK-UHFFFAOYSA-N 2 0 334.508 1.101 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCCC(F)(F)C2)C1)C12CC[NH+](CC1)C2 ZINC001032130360 701840720 /nfs/dbraw/zinc/84/07/20/701840720.db2.gz MROYSAXCYKRJRB-AWEZNQCLSA-N 2 0 341.446 1.956 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802764 702047341 /nfs/dbraw/zinc/04/73/41/702047341.db2.gz OHLFZUIPBFHTPA-SJORKVTESA-N 2 0 347.507 1.620 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995824770 702095630 /nfs/dbraw/zinc/09/56/30/702095630.db2.gz KKRZFQKJYLIFFJ-KFWWJZLASA-N 2 0 333.480 1.087 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871356 702175060 /nfs/dbraw/zinc/17/50/60/702175060.db2.gz KSVIQZVOLGWCOQ-DLBZAZTESA-N 2 0 347.507 1.584 20 0 EDADRP CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879072 702186071 /nfs/dbraw/zinc/18/60/71/702186071.db2.gz BJTRBYBJBKUKPX-GDBMZVCRSA-N 2 0 334.464 1.596 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC000999203442 706648345 /nfs/dbraw/zinc/64/83/45/706648345.db2.gz BQEBFZJAZSGJLR-BHYGNILZSA-N 2 0 334.464 1.794 20 0 EDADRP CC(=O)Nc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182317 702195987 /nfs/dbraw/zinc/19/59/87/702195987.db2.gz JDJAUWUSDBQQCR-KRWDZBQOSA-N 2 0 344.459 1.145 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)C1CC1 ZINC000995896633 702201096 /nfs/dbraw/zinc/20/10/96/702201096.db2.gz PHVLQUJDEQILSF-IAGOWNOFSA-N 2 0 348.466 1.888 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995883619 702217251 /nfs/dbraw/zinc/21/72/51/702217251.db2.gz CYUPFZLOVPDREA-OAHLLOKOSA-N 2 0 334.464 1.794 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995887140 702225330 /nfs/dbraw/zinc/22/53/30/702225330.db2.gz PBUSBVVRUMSLTE-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)C1CC1 ZINC000995890981 702232845 /nfs/dbraw/zinc/23/28/45/702232845.db2.gz BYOWXRWRYQVNBX-UONOGXRCSA-N 2 0 337.493 1.205 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920207 702241503 /nfs/dbraw/zinc/24/15/03/702241503.db2.gz TYQAHUWAECPITL-KRWDZBQOSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921750 702244034 /nfs/dbraw/zinc/24/40/34/702244034.db2.gz XVTFQQFWRYRRLL-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000995922569 702246158 /nfs/dbraw/zinc/24/61/58/702246158.db2.gz FLWALVWMYCZHQT-SJORKVTESA-N 2 0 347.507 1.698 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999221427 706654845 /nfs/dbraw/zinc/65/48/45/706654845.db2.gz BIDWSDZIAOZYTJ-UHFFFAOYSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995915799 702276167 /nfs/dbraw/zinc/27/61/67/702276167.db2.gz GTXFMWVORZQXJG-QGZVFWFLSA-N 2 0 345.491 1.596 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001032186796 702283113 /nfs/dbraw/zinc/28/31/13/702283113.db2.gz WXFMTJYBXDXXSH-OAHLLOKOSA-N 2 0 335.423 1.204 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2snnc2C)C(C)(C)C1)[NH+](C)C ZINC000995946822 702293691 /nfs/dbraw/zinc/29/36/91/702293691.db2.gz HORTVLWEROYULP-TZMCWYRMSA-N 2 0 339.509 1.513 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995964603 702309387 /nfs/dbraw/zinc/30/93/87/702309387.db2.gz BJSOTUPDCNYSJI-IAGOWNOFSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1)[NH+](C)C ZINC000995955015 702320196 /nfs/dbraw/zinc/32/01/96/702320196.db2.gz ZLMXZTQCWMGXHA-HZPDHXFCSA-N 2 0 336.455 1.888 20 0 EDADRP Cc1cccc(C)c1OCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186315 702323663 /nfs/dbraw/zinc/32/36/63/702323663.db2.gz NJIJVPLAAVCHOR-SFHVURJKSA-N 2 0 345.487 1.682 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC000995982419 702342395 /nfs/dbraw/zinc/34/23/95/702342395.db2.gz ALGUNYCKVGSIJZ-ZBFHGGJFSA-N 2 0 339.524 1.847 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995985576 702346223 /nfs/dbraw/zinc/34/62/23/702346223.db2.gz WJJBZQRHARIISH-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000996195402 702622112 /nfs/dbraw/zinc/62/21/12/702622112.db2.gz KATGVQMDZJJHBO-YQQAZPJKSA-N 2 0 347.507 1.477 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H](NCc2ccon2)C(C)(C)C1 ZINC000996198050 702625016 /nfs/dbraw/zinc/62/50/16/702625016.db2.gz NFDCDROEEKORQE-HNNXBMFYSA-N 2 0 346.431 1.970 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)on1 ZINC000996233936 702642163 /nfs/dbraw/zinc/64/21/63/702642163.db2.gz BONBSBYCYUTSTN-INIZCTEOSA-N 2 0 334.464 1.651 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996246495 702649809 /nfs/dbraw/zinc/64/98/09/702649809.db2.gz ILIHRYLLMFGPME-QGZVFWFLSA-N 2 0 348.491 1.905 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996251207 702653090 /nfs/dbraw/zinc/65/30/90/702653090.db2.gz YFMBKZDRVFZHJQ-OAHLLOKOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995211000 702682103 /nfs/dbraw/zinc/68/21/03/702682103.db2.gz MOBQCWBYOZBUIQ-CVEARBPZSA-N 2 0 334.464 1.762 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(OC)no2)C(C)(C)C1)[NH+](C)C ZINC000996315923 702704008 /nfs/dbraw/zinc/70/40/08/702704008.db2.gz UPXVITIGGQZWOC-UONOGXRCSA-N 2 0 338.452 1.350 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2oc(C)nc2C)C(C)(C)C1)[NH+](C)C ZINC000996315946 702704144 /nfs/dbraw/zinc/70/41/44/702704144.db2.gz UWFOYXWVFVQUGL-HOCLYGCPSA-N 2 0 336.480 1.958 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(CO)cc2)C(C)(C)C1)[NH+](C)C ZINC000996316359 702704311 /nfs/dbraw/zinc/70/43/11/702704311.db2.gz YULXBCGXZRBNKH-ROUUACIJSA-N 2 0 347.503 1.846 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996512069 702831450 /nfs/dbraw/zinc/83/14/50/702831450.db2.gz ABVPQRTXJWGWTH-NVXWUHKLSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)[nH]1 ZINC000996500591 702839785 /nfs/dbraw/zinc/83/97/85/702839785.db2.gz HBLDKQOFWNQBRG-GDBMZVCRSA-N 2 0 346.479 1.068 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996524412 702841139 /nfs/dbraw/zinc/84/11/39/702841139.db2.gz PSSMYOYFSXJJAD-HZPDHXFCSA-N 2 0 337.508 1.602 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996534608 702848571 /nfs/dbraw/zinc/84/85/71/702848571.db2.gz TVGLBNIBHQXUPR-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996516511 702851993 /nfs/dbraw/zinc/85/19/93/702851993.db2.gz AMVGFQYPVYWIDN-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cs1 ZINC000996602921 702912496 /nfs/dbraw/zinc/91/24/96/702912496.db2.gz KJBDMYSJIWROSU-MLGOLLRUSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996605493 702915101 /nfs/dbraw/zinc/91/51/01/702915101.db2.gz FOYWFRVWKNDKHC-GDBMZVCRSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996610801 702915753 /nfs/dbraw/zinc/91/57/53/702915753.db2.gz KUPUYCAMEURZKP-KGLIPLIRSA-N 2 0 336.505 1.730 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)C1 ZINC000996612082 702917435 /nfs/dbraw/zinc/91/74/35/702917435.db2.gz PVDWFYUMELDHTL-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624191 702921845 /nfs/dbraw/zinc/92/18/45/702921845.db2.gz WYLRFMWILURYFW-MSOLQXFVSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C)C(N)=O ZINC000996663533 702961223 /nfs/dbraw/zinc/96/12/23/702961223.db2.gz OZWPBYUSZIHMPD-CZUORRHYSA-N 2 0 346.475 1.062 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)C1 ZINC000996667184 702964160 /nfs/dbraw/zinc/96/41/60/702964160.db2.gz UQCFMDHYXDJQNU-MRXNPFEDSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996668987 702970316 /nfs/dbraw/zinc/97/03/16/702970316.db2.gz NKQHLCCJUDNHQE-SFHVURJKSA-N 2 0 347.507 1.727 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996676776 702975770 /nfs/dbraw/zinc/97/57/70/702975770.db2.gz IDKCJTOHTKNEQL-SFHVURJKSA-N 2 0 348.491 1.966 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996677555 702976550 /nfs/dbraw/zinc/97/65/50/702976550.db2.gz LANFGFPVJNXCPO-KRWDZBQOSA-N 2 0 348.495 1.109 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996691242 702988428 /nfs/dbraw/zinc/98/84/28/702988428.db2.gz UBMCHFUPYSBAGQ-MRXNPFEDSA-N 2 0 348.495 1.253 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000996697213 702995907 /nfs/dbraw/zinc/99/59/07/702995907.db2.gz RECPWWFKSBOQHY-ZBFHGGJFSA-N 2 0 333.480 1.704 20 0 EDADRP CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000996766931 703058370 /nfs/dbraw/zinc/05/83/70/703058370.db2.gz QNDDUCHIJWKCFV-ABHNRTSZSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000996767688 703058942 /nfs/dbraw/zinc/05/89/42/703058942.db2.gz QPPABJVAUOZUPU-UHFFFAOYSA-N 2 0 343.475 1.494 20 0 EDADRP O=C(N1CCC([NH2+]Cc2nccs2)CC1)C12CCC[NH+]1CCC2 ZINC000996772744 703062732 /nfs/dbraw/zinc/06/27/32/703062732.db2.gz ZYCIVZPWPNRYFJ-UHFFFAOYSA-N 2 0 334.489 1.852 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996798391 703090558 /nfs/dbraw/zinc/09/05/58/703090558.db2.gz OHFRNTWNWPACPU-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP CCCN1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996803333 703093726 /nfs/dbraw/zinc/09/37/26/703093726.db2.gz SGFCFTOCGVCWPB-WWDZGPRUSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598051 703112697 /nfs/dbraw/zinc/11/26/97/703112697.db2.gz QRPHGTUEUHADHW-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598055 703112758 /nfs/dbraw/zinc/11/27/58/703112758.db2.gz QTRKLSRTDKLSOC-KBXCAEBGSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996868015 703140573 /nfs/dbraw/zinc/14/05/73/703140573.db2.gz NPUKSLSSAUZIGH-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867943 703140625 /nfs/dbraw/zinc/14/06/25/703140625.db2.gz LDNXRDICXFEMSG-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000996903025 703177593 /nfs/dbraw/zinc/17/75/93/703177593.db2.gz GKHCZYAMLFNUPK-MRXNPFEDSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000996979772 703235129 /nfs/dbraw/zinc/23/51/29/703235129.db2.gz PIDVQMUHEMKZJI-PBHICJAKSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)oc1C ZINC000996995821 703252785 /nfs/dbraw/zinc/25/27/85/703252785.db2.gz RAKZWVPFGNHALD-ZDUSSCGKSA-N 2 0 334.464 1.856 20 0 EDADRP Cn1nccc1CC[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000996999366 703256300 /nfs/dbraw/zinc/25/63/00/703256300.db2.gz NVFIMERVQJMTKB-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000997002659 703259258 /nfs/dbraw/zinc/25/92/58/703259258.db2.gz XTFUGQCOCLBWIT-ZIAGYGMSSA-N 2 0 348.495 1.493 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997004099 703261279 /nfs/dbraw/zinc/26/12/79/703261279.db2.gz BSKAATJBMKRVCL-DNVCBOLYSA-N 2 0 345.487 1.457 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC000997006538 703263891 /nfs/dbraw/zinc/26/38/91/703263891.db2.gz MQAKXYNATRBJSU-OAHLLOKOSA-N 2 0 346.475 1.513 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cn(C(C)C)nn2)CC1)[NH+](C)C ZINC000997008602 703266830 /nfs/dbraw/zinc/26/68/30/703266830.db2.gz CMMPIAZRLMRIMP-INIZCTEOSA-N 2 0 336.484 1.280 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC000997058268 703303447 /nfs/dbraw/zinc/30/34/47/703303447.db2.gz OLANUWOOCJCMAY-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997058311 703303757 /nfs/dbraw/zinc/30/37/57/703303757.db2.gz PLCKPHSMCVTHFN-UHFFFAOYSA-N 2 0 335.452 1.191 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)co1 ZINC000997059057 703304187 /nfs/dbraw/zinc/30/41/87/703304187.db2.gz URAGWKIDPGGBHG-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997059182 703304680 /nfs/dbraw/zinc/30/46/80/703304680.db2.gz WNONPNJTEIDWIQ-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823342 703332079 /nfs/dbraw/zinc/33/20/79/703332079.db2.gz TZVGADOVGAZMCO-IRXDYDNUSA-N 2 0 347.507 1.442 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997086616 703332205 /nfs/dbraw/zinc/33/22/05/703332205.db2.gz AHFHALAXFDUNIY-WMZOPIPTSA-N 2 0 345.491 1.518 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000921528692 703387082 /nfs/dbraw/zinc/38/70/82/703387082.db2.gz VJZSRAGTTSOYIE-UHFFFAOYSA-N 2 0 327.904 1.889 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnon3)CC2)C1 ZINC000997179272 703463490 /nfs/dbraw/zinc/46/34/90/703463490.db2.gz HUQROCZZNBFUIK-XJKSGUPXSA-N 2 0 335.452 1.271 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cnon3)CC2)C1 ZINC000997179269 703463502 /nfs/dbraw/zinc/46/35/02/703463502.db2.gz HUQROCZZNBFUIK-CZUORRHYSA-N 2 0 335.452 1.271 20 0 EDADRP O=C(N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC000997190424 703472744 /nfs/dbraw/zinc/47/27/44/703472744.db2.gz YAIXQVUIEXMTDD-HNAYVOBHSA-N 2 0 333.476 1.089 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCc3ccccc3F)CC2)C1 ZINC000997299902 703557164 /nfs/dbraw/zinc/55/71/64/703557164.db2.gz QZYKESITZXHWJA-INIZCTEOSA-N 2 0 333.451 1.901 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997360149 703590411 /nfs/dbraw/zinc/59/04/11/703590411.db2.gz LZPYUAGHERGFRV-GASCZTMLSA-N 2 0 348.495 1.251 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997366952 703601069 /nfs/dbraw/zinc/60/10/69/703601069.db2.gz QVYZBJWEADBURI-QAPCUYQASA-N 2 0 345.491 1.993 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)o2)CC1 ZINC000997367125 703601360 /nfs/dbraw/zinc/60/13/60/703601360.db2.gz UVDWXAXULSXEIA-BBRMVZONSA-N 2 0 349.479 1.894 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921565718 703606070 /nfs/dbraw/zinc/60/60/70/703606070.db2.gz PIVGLUHBMXRIIK-DLBZAZTESA-N 2 0 342.528 1.620 20 0 EDADRP Cc1ncoc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001032456727 703634894 /nfs/dbraw/zinc/63/48/94/703634894.db2.gz VRKBTHZOUVOJGY-JYJNAYRXSA-N 2 0 332.448 1.643 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000997389863 703657621 /nfs/dbraw/zinc/65/76/21/703657621.db2.gz KXIOWVAAUHZNOP-IAGOWNOFSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccccn2)CC1 ZINC000997390374 703657926 /nfs/dbraw/zinc/65/79/26/703657926.db2.gz OJLZACSKBRVDJN-MRXNPFEDSA-N 2 0 342.487 1.894 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422255 703670878 /nfs/dbraw/zinc/67/08/78/703670878.db2.gz USVCYQHJYUHHBK-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1csnn1 ZINC000997615929 703915335 /nfs/dbraw/zinc/91/53/35/703915335.db2.gz XMHQIUKNVDXWLV-WFASDCNBSA-N 2 0 337.493 1.522 20 0 EDADRP CCn1nncc1CN1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001004209519 703952234 /nfs/dbraw/zinc/95/22/34/703952234.db2.gz UAPSXMRIUANPJA-KRWDZBQOSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995551364 703956584 /nfs/dbraw/zinc/95/65/84/703956584.db2.gz MHGNYBIBQFVDHB-GJZGRUSLSA-N 2 0 336.505 1.872 20 0 EDADRP CCc1nc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)no1 ZINC000999291495 706786850 /nfs/dbraw/zinc/78/68/50/706786850.db2.gz BWWAKBZANZNCNO-HESLUPGFSA-N 2 0 349.479 1.441 20 0 EDADRP Cc1cnc([C@@H](C)N2CCC(NC(=O)Cn3ccnc3)CC2)cn1 ZINC001004257964 704086133 /nfs/dbraw/zinc/08/61/33/704086133.db2.gz OUZULQLKBQBYSB-CQSZACIVSA-N 2 0 328.420 1.323 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084030 704153057 /nfs/dbraw/zinc/15/30/57/704153057.db2.gz DQSQBXYLXWSJLG-MRXNPFEDSA-N 2 0 333.480 1.557 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004440238 704422665 /nfs/dbraw/zinc/42/26/65/704422665.db2.gz YKROIEAWLGJXMV-MSOLQXFVSA-N 2 0 335.492 1.024 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922881751 704447156 /nfs/dbraw/zinc/44/71/56/704447156.db2.gz QIIGSAQHOKKXDQ-UHFFFAOYSA-N 2 0 328.416 1.708 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935597 704640718 /nfs/dbraw/zinc/64/07/18/704640718.db2.gz RYJXQTXXYCLDIL-GDBMZVCRSA-N 2 0 346.475 1.802 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997784457 704688346 /nfs/dbraw/zinc/68/83/46/704688346.db2.gz PHGWTLBLCSWNBR-KRWDZBQOSA-N 2 0 346.475 1.653 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997785017 704688793 /nfs/dbraw/zinc/68/87/93/704688793.db2.gz RNTLONVZGHJACH-QGZVFWFLSA-N 2 0 348.516 1.813 20 0 EDADRP CCC[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997794956 704703232 /nfs/dbraw/zinc/70/32/32/704703232.db2.gz XGPCEEQUUIILFS-HNNXBMFYSA-N 2 0 335.496 1.685 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)CCC1 ZINC000997822939 704742811 /nfs/dbraw/zinc/74/28/11/704742811.db2.gz HTFCHJFRFIRCSK-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997823950 704744831 /nfs/dbraw/zinc/74/48/31/704744831.db2.gz NUWKBFKISNGFIK-IBGZPJMESA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000997836821 704753639 /nfs/dbraw/zinc/75/36/39/704753639.db2.gz LVYXYMLDBOFDQA-WMZOPIPTSA-N 2 0 349.519 1.868 20 0 EDADRP Cn1cnnc1C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000997840188 704756723 /nfs/dbraw/zinc/75/67/23/704756723.db2.gz MXXADRIFDSZLBE-MRXNPFEDSA-N 2 0 348.495 1.018 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)[NH+](C)C ZINC000997843974 704759303 /nfs/dbraw/zinc/75/93/03/704759303.db2.gz KPVRUYXNCPHQMK-MSOLQXFVSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997860436 704769267 /nfs/dbraw/zinc/76/92/67/704769267.db2.gz HEZYTIGLLXRVPL-MAUKXSAKSA-N 2 0 330.476 1.750 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997864554 704771261 /nfs/dbraw/zinc/77/12/61/704771261.db2.gz KNCMLRXFIALQJW-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944943557 704796386 /nfs/dbraw/zinc/79/63/86/704796386.db2.gz IPKLTKSIRWVKDB-RHSMWYFYSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1C ZINC000944966019 704837680 /nfs/dbraw/zinc/83/76/80/704837680.db2.gz WVXQLCBOTWQCFH-RHSMWYFYSA-N 2 0 327.432 1.613 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000356105681 704972317 /nfs/dbraw/zinc/97/23/17/704972317.db2.gz JCSHSZDUVQOFSK-GJZGRUSLSA-N 2 0 332.448 1.469 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000997947720 705068735 /nfs/dbraw/zinc/06/87/35/705068735.db2.gz DRCQKQGQWRFMNT-IAGOWNOFSA-N 2 0 348.495 1.075 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC000997948032 705069613 /nfs/dbraw/zinc/06/96/13/705069613.db2.gz GAXCQQPKCJGJNX-SJLPKXTDSA-N 2 0 347.507 1.717 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000997955964 705085280 /nfs/dbraw/zinc/08/52/80/705085280.db2.gz KHQRQSSEAKIVPW-UHFFFAOYSA-N 2 0 349.479 1.581 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000998028649 705211751 /nfs/dbraw/zinc/21/17/51/705211751.db2.gz UKZMPJZBQFLEDP-UHFFFAOYSA-N 2 0 333.480 1.090 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000998047080 705243118 /nfs/dbraw/zinc/24/31/18/705243118.db2.gz NJLBKGWYCBXSGY-DOTOQJQBSA-N 2 0 347.507 1.952 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998079099 705291845 /nfs/dbraw/zinc/29/18/45/705291845.db2.gz PFPZYHPCXZTVOY-KBXCAEBGSA-N 2 0 347.507 1.254 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998079469 705298446 /nfs/dbraw/zinc/29/84/46/705298446.db2.gz PFPZYHPCXZTVOY-RDTXWAMCSA-N 2 0 347.507 1.254 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)C1 ZINC000998080939 705300420 /nfs/dbraw/zinc/30/04/20/705300420.db2.gz GDMZOGDKWXKMCA-HNNXBMFYSA-N 2 0 333.480 1.090 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000998086695 705307239 /nfs/dbraw/zinc/30/72/39/705307239.db2.gz QZRVPPDIGJUYJA-SFHVURJKSA-N 2 0 347.507 1.498 20 0 EDADRP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083040 705311862 /nfs/dbraw/zinc/31/18/62/705311862.db2.gz UEGIHCSEPVJZSJ-AEFFLSMTSA-N 2 0 344.503 1.916 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)C1 ZINC000998083586 705312456 /nfs/dbraw/zinc/31/24/56/705312456.db2.gz WNRXGYOOILWSKZ-HNNXBMFYSA-N 2 0 333.480 1.090 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000998085677 705317459 /nfs/dbraw/zinc/31/74/59/705317459.db2.gz ICVRSKSOBIOQPO-YOEHRIQHSA-N 2 0 333.480 1.706 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000998190451 705496359 /nfs/dbraw/zinc/49/63/59/705496359.db2.gz PYTPTIVLGOCAHK-QZTJIDSGSA-N 2 0 347.507 1.538 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000998216772 705539397 /nfs/dbraw/zinc/53/93/97/705539397.db2.gz KPSKZGQBZUPUPL-RDJZCZTQSA-N 2 0 345.491 1.708 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998218296 705541272 /nfs/dbraw/zinc/54/12/72/705541272.db2.gz YYVSIZQULBOUHG-INIZCTEOSA-N 2 0 334.464 1.653 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2cccnc2)CC1)C12CC[NH+](CC1)C2 ZINC000998224100 705552374 /nfs/dbraw/zinc/55/23/74/705552374.db2.gz XHDFPHGRIMSWLZ-UHFFFAOYSA-N 2 0 328.460 1.506 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC000998224133 705552937 /nfs/dbraw/zinc/55/29/37/705552937.db2.gz YEFSWUUXVWAZSG-YLJYHZDGSA-N 2 0 347.503 1.337 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1)[NH+](C)C ZINC001032611081 705581509 /nfs/dbraw/zinc/58/15/09/705581509.db2.gz DNPWCBLFHGPLFV-OKZBNKHCSA-N 2 0 337.508 1.674 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998268801 705645006 /nfs/dbraw/zinc/64/50/06/705645006.db2.gz JLSSCVKGZTUSAI-HNNXBMFYSA-N 2 0 334.464 1.968 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000998268855 705645717 /nfs/dbraw/zinc/64/57/17/705645717.db2.gz JYSXHYKKKPKWAB-UHFFFAOYSA-N 2 0 336.505 1.876 20 0 EDADRP Cc1cccnc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998269889 705646611 /nfs/dbraw/zinc/64/66/11/705646611.db2.gz PYIMDQLIKQPNFE-UHFFFAOYSA-N 2 0 330.476 1.814 20 0 EDADRP Cc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)n1 ZINC000998271606 705651541 /nfs/dbraw/zinc/65/15/41/705651541.db2.gz GTOXBVAKMPUCOL-IBGZPJMESA-N 2 0 344.503 1.978 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998288908 705689702 /nfs/dbraw/zinc/68/97/02/705689702.db2.gz XRLSYEFKVSVSJY-HOTGVXAUSA-N 2 0 345.491 1.678 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000998720621 706147647 /nfs/dbraw/zinc/14/76/47/706147647.db2.gz JPWGTIILJQSOOJ-WMZOPIPTSA-N 2 0 331.460 1.870 20 0 EDADRP CN(C)c1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000998721479 706157342 /nfs/dbraw/zinc/15/73/42/706157342.db2.gz MKSOMYLXGXICIE-DLBZAZTESA-N 2 0 345.491 1.322 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999147002 706560713 /nfs/dbraw/zinc/56/07/13/706560713.db2.gz ZKKAKSITEQOZRX-AEFFLSMTSA-N 2 0 347.507 1.416 20 0 EDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)C1 ZINC000999324565 706834588 /nfs/dbraw/zinc/83/45/88/706834588.db2.gz XCHDJBRUPUYWOP-HOTGVXAUSA-N 2 0 334.464 1.738 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CC1 ZINC000999374989 706869315 /nfs/dbraw/zinc/86/93/15/706869315.db2.gz SRGUWVXURFEWHA-MOPGFXCFSA-N 2 0 345.487 1.600 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)ccn1 ZINC000999379756 706873967 /nfs/dbraw/zinc/87/39/67/706873967.db2.gz ZRFIOPZFSBQOOX-WMZOPIPTSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999400902 706896033 /nfs/dbraw/zinc/89/60/33/706896033.db2.gz MNMMZDOTXTXOPO-HZPDHXFCSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC000999401927 706909688 /nfs/dbraw/zinc/90/96/88/706909688.db2.gz BBJRNIIRNIOSBA-GRTSSRMGSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406166 706915350 /nfs/dbraw/zinc/91/53/50/706915350.db2.gz LNDSAVHBRZGBPM-LMWSTFAQSA-N 2 0 337.493 1.410 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000999406886 706916622 /nfs/dbraw/zinc/91/66/22/706916622.db2.gz BKTNPMHYXUSHSP-OFLPRAFFSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)[NH+](C)C ZINC000999481167 706990121 /nfs/dbraw/zinc/99/01/21/706990121.db2.gz CJKQETJAYARCEG-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1)[NH+]1CCCCCC1 ZINC000999500674 706998278 /nfs/dbraw/zinc/99/82/78/706998278.db2.gz DCPPEHOELLLQHU-QQFBHYJXSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000999506811 707004360 /nfs/dbraw/zinc/00/43/60/707004360.db2.gz RYTZYZVKPBGZRK-UYSNPLJNSA-N 2 0 348.495 1.157 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999513372 707012256 /nfs/dbraw/zinc/01/22/56/707012256.db2.gz SKGNONXBINGKCZ-SJORKVTESA-N 2 0 333.480 1.468 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999700307 707230522 /nfs/dbraw/zinc/23/05/22/707230522.db2.gz ZFUNLBWLTLRYSP-QQFBHYJXSA-N 2 0 346.475 1.767 20 0 EDADRP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999689309 707244313 /nfs/dbraw/zinc/24/43/13/707244313.db2.gz RLHHAGPVHNMEJO-FAEJEUNOSA-N 2 0 347.507 1.366 20 0 EDADRP COC(=O)COc1ccccc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000921686797 707316011 /nfs/dbraw/zinc/31/60/11/707316011.db2.gz YMQRLFRXUSDKOJ-INIZCTEOSA-N 2 0 349.475 1.212 20 0 EDADRP Cn1ccnc1CCC(=O)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000999778243 707339150 /nfs/dbraw/zinc/33/91/50/707339150.db2.gz WHDAMDQSWPMTCF-INIZCTEOSA-N 2 0 327.432 1.529 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999793220 707364288 /nfs/dbraw/zinc/36/42/88/707364288.db2.gz PTROLWNYXDDHOX-HOCLYGCPSA-N 2 0 349.504 1.493 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999793603 707364883 /nfs/dbraw/zinc/36/48/83/707364883.db2.gz RGNFMRKHPUZNHA-WMZOPIPTSA-N 2 0 346.475 1.938 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999795197 707366731 /nfs/dbraw/zinc/36/67/31/707366731.db2.gz YKVTXJFBQBYEPA-QZTJIDSGSA-N 2 0 345.491 1.375 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1)[NH+]1CCCC1 ZINC000999877824 707526945 /nfs/dbraw/zinc/52/69/45/707526945.db2.gz XKVZYMNOIAAIAK-MRXNPFEDSA-N 2 0 333.480 1.338 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033326379 707537387 /nfs/dbraw/zinc/53/73/87/707537387.db2.gz OYADFIZUFXSBQA-RCCFBDPRSA-N 2 0 331.460 1.347 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](NCc3cnsn3)C2)CC[N@@H+]1C ZINC001000022209 707688708 /nfs/dbraw/zinc/68/87/08/707688708.db2.gz XQKXAYDBVPERCR-MELADBBJSA-N 2 0 337.493 1.349 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000921734269 707922625 /nfs/dbraw/zinc/92/26/25/707922625.db2.gz UWXHHXBKTIFRTD-INIZCTEOSA-N 2 0 349.450 1.870 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033474615 707963919 /nfs/dbraw/zinc/96/39/19/707963919.db2.gz ITPCROWPRYGKHT-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1nc(CC[NH+]2CC=C(CNC(=O)[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC001000521770 708039711 /nfs/dbraw/zinc/03/97/11/708039711.db2.gz NVENNQQJMIHIKJ-KRWDZBQOSA-N 2 0 348.516 1.837 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cnn(CCF)c2)(N2CCCCC2)CC1 ZINC000921792479 708044522 /nfs/dbraw/zinc/04/45/22/708044522.db2.gz XSPPUXUUUAGOOU-UHFFFAOYSA-N 2 0 337.487 1.893 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033551222 708186051 /nfs/dbraw/zinc/18/60/51/708186051.db2.gz LRAQXOIEXURHJI-WBVHZDCISA-N 2 0 325.497 1.674 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033580718 708261763 /nfs/dbraw/zinc/26/17/63/708261763.db2.gz HOCYETIPLQGDQY-OALUTQOASA-N 2 0 345.487 1.553 20 0 EDADRP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001001823443 708325185 /nfs/dbraw/zinc/32/51/85/708325185.db2.gz WKLOKVQGKOQRLW-ZFWWWQNUSA-N 2 0 334.464 1.693 20 0 EDADRP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001001824447 708327148 /nfs/dbraw/zinc/32/71/48/708327148.db2.gz HIVJQQCWTUGINJ-KSSFIOAISA-N 2 0 345.491 1.311 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665947 708449808 /nfs/dbraw/zinc/44/98/08/708449808.db2.gz SKDCURPYSQMLKU-ZWKOTPCHSA-N 2 0 344.503 1.737 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033661885 708475579 /nfs/dbraw/zinc/47/55/79/708475579.db2.gz NAADUVUZSMWNLZ-SJORKVTESA-N 2 0 333.451 1.853 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001002120242 708633926 /nfs/dbraw/zinc/63/39/26/708633926.db2.gz INIFICXYPPXNKO-MRXNPFEDSA-N 2 0 349.479 1.091 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033773421 708671308 /nfs/dbraw/zinc/67/13/08/708671308.db2.gz FFGMXHZRLIAWGG-ZWKOTPCHSA-N 2 0 330.476 1.907 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000921884238 708787401 /nfs/dbraw/zinc/78/74/01/708787401.db2.gz KDUOVFLCCSVAEE-ZTFGCOKTSA-N 2 0 346.475 1.145 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001034037790 709270014 /nfs/dbraw/zinc/27/00/14/709270014.db2.gz FMEHWUFAZODQNN-HUUCEWRRSA-N 2 0 336.505 1.826 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005499039 709275279 /nfs/dbraw/zinc/27/52/79/709275279.db2.gz XHAHGZCOGANXPK-IAGOWNOFSA-N 2 0 339.524 1.922 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001002790874 709398426 /nfs/dbraw/zinc/39/84/26/709398426.db2.gz BDMXKADSSZULNK-WMZOPIPTSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CCC[NH+](CCO)CC2)C1 ZINC000948711024 709402790 /nfs/dbraw/zinc/40/27/90/709402790.db2.gz KHHFAWFYUYJSTF-SJORKVTESA-N 2 0 325.497 1.414 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000702403846 709553256 /nfs/dbraw/zinc/55/32/56/709553256.db2.gz WKSRLCOGKGMXPV-MSOLQXFVSA-N 2 0 344.503 1.294 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCOC2CCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034210290 709560187 /nfs/dbraw/zinc/56/01/87/709560187.db2.gz GKBLXAAFHGKZIF-IEBWSBKVSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395542 709929007 /nfs/dbraw/zinc/92/90/07/709929007.db2.gz AAZFLMZULYGYAA-IAGOWNOFSA-N 2 0 347.507 1.418 20 0 EDADRP Cc1cc(CN2CCC(NC(=O)[C@H]3CCn4cncc4C3)CC2)on1 ZINC001003178849 710094330 /nfs/dbraw/zinc/09/43/30/710094330.db2.gz BLMGZKOOUCZCCT-AWEZNQCLSA-N 2 0 343.431 1.523 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034491588 710111698 /nfs/dbraw/zinc/11/16/98/710111698.db2.gz VTUCXJCMWSJRRR-AEFFLSMTSA-N 2 0 330.476 1.894 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)o1 ZINC001034545770 710219317 /nfs/dbraw/zinc/21/93/17/710219317.db2.gz XMWMQFHRKUOIGU-HNNXBMFYSA-N 2 0 337.464 1.698 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001034611578 710286022 /nfs/dbraw/zinc/28/60/22/710286022.db2.gz LPYBIIKIEQZHQV-IIAWOOMASA-N 2 0 347.463 1.096 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CN(C)CCO2)CC1 ZINC001034614736 710289772 /nfs/dbraw/zinc/28/97/72/710289772.db2.gz VOHPYUSGJGHJOY-BZSNNMDCSA-N 2 0 346.475 1.238 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)cn1 ZINC001003375008 710293238 /nfs/dbraw/zinc/29/32/38/710293238.db2.gz GEXMOBQPIWKHBR-GOSISDBHSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(N)=O ZINC001034643970 710320122 /nfs/dbraw/zinc/32/01/22/710320122.db2.gz GKCSVHJOAIRXOO-RBSFLKMASA-N 2 0 338.496 1.142 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648509 710325304 /nfs/dbraw/zinc/32/53/04/710325304.db2.gz KEVZBUCSCDBQAX-WNHJNPCNSA-N 2 0 349.519 1.772 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492320 710375164 /nfs/dbraw/zinc/37/51/64/710375164.db2.gz GHGXKOWWJAWZEW-MAUKXSAKSA-N 2 0 337.508 1.745 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC001003549123 710414415 /nfs/dbraw/zinc/41/44/15/710414415.db2.gz ZREMMULNOCFQQQ-LJQANCHMSA-N 2 0 345.487 1.642 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)ccn1 ZINC001003624334 710453548 /nfs/dbraw/zinc/45/35/48/710453548.db2.gz OKZVTHNSFLHRMH-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1ncc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)s1 ZINC001003626947 710457078 /nfs/dbraw/zinc/45/70/78/710457078.db2.gz YFKCUEOQKRMGFQ-CYBMUJFWSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636937 710466684 /nfs/dbraw/zinc/46/66/84/710466684.db2.gz YTAOSWOUFSZWFH-BBRMVZONSA-N 2 0 334.464 1.515 20 0 EDADRP Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005593132 710641272 /nfs/dbraw/zinc/64/12/72/710641272.db2.gz QWEIVLZBGFFAAI-KRWDZBQOSA-N 2 0 334.464 1.890 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034698389 710794050 /nfs/dbraw/zinc/79/40/50/710794050.db2.gz IQUHQDCZIIVUJQ-WNHJNPCNSA-N 2 0 349.519 1.914 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)co1 ZINC001034721968 710888722 /nfs/dbraw/zinc/88/87/22/710888722.db2.gz TWIGBRVPWNMRLO-WKILWMFISA-N 2 0 334.464 1.842 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC001034722336 710889409 /nfs/dbraw/zinc/88/94/09/710889409.db2.gz WPWSVXHNBNVXRD-WKILWMFISA-N 2 0 334.464 1.842 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032944469 710921111 /nfs/dbraw/zinc/92/11/11/710921111.db2.gz KYPIJABTNUNJOM-MJGOQNOKSA-N 2 0 344.503 1.880 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)nc1 ZINC001034735648 710921721 /nfs/dbraw/zinc/92/17/21/710921721.db2.gz KGOOGRGTDCMUIG-BRWVUGGUSA-N 2 0 345.491 1.786 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c(C)n1 ZINC001032967233 711027094 /nfs/dbraw/zinc/02/70/94/711027094.db2.gz HRFCQEVWPREKJF-QZTJIDSGSA-N 2 0 330.476 1.825 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)co1 ZINC001034775499 711049583 /nfs/dbraw/zinc/04/95/83/711049583.db2.gz AZDBHFOQACLOEG-JYJNAYRXSA-N 2 0 334.464 1.842 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)C1 ZINC001034776009 711050929 /nfs/dbraw/zinc/05/09/29/711050929.db2.gz NJZZHBPOLMKWLZ-BZSNNMDCSA-N 2 0 337.508 1.772 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034776642 711053046 /nfs/dbraw/zinc/05/30/46/711053046.db2.gz VVLLOGQGIVCKPJ-MGPQQGTHSA-N 2 0 337.493 1.397 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](NCc3csnn3)CC2)C1 ZINC001034779433 711086065 /nfs/dbraw/zinc/08/60/65/711086065.db2.gz UXXYOLQTVDGZBL-IHRRRGAJSA-N 2 0 337.493 1.397 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335612 711086415 /nfs/dbraw/zinc/08/64/15/711086415.db2.gz SQINCYSHSFYSGB-HKUYNNGSSA-N 2 0 330.476 1.902 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001034795471 711113413 /nfs/dbraw/zinc/11/34/13/711113413.db2.gz HYLUHACTHOPJRV-BZUAXINKSA-N 2 0 348.495 1.505 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792151 711118747 /nfs/dbraw/zinc/11/87/47/711118747.db2.gz GFMZAWJDVVNYMM-ATGSNQNLSA-N 2 0 334.468 1.143 20 0 EDADRP Cn1cncc1CC(=O)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001003970414 711119588 /nfs/dbraw/zinc/11/95/88/711119588.db2.gz FVRFLXZEWRCANG-UHFFFAOYSA-N 2 0 348.491 1.750 20 0 EDADRP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792401 711119597 /nfs/dbraw/zinc/11/95/97/711119597.db2.gz IVKCJHAZJVZWRC-YVSFHVDLSA-N 2 0 345.491 1.815 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1csnn1 ZINC001034793537 711123581 /nfs/dbraw/zinc/12/35/81/711123581.db2.gz HIEUIPWBVQBJIX-MGPQQGTHSA-N 2 0 337.493 1.712 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001003977759 711150763 /nfs/dbraw/zinc/15/07/63/711150763.db2.gz XDOZIJMLACOARK-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003976288 711175305 /nfs/dbraw/zinc/17/53/05/711175305.db2.gz PQHBIRFVCHNRJQ-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001034885270 711289625 /nfs/dbraw/zinc/28/96/25/711289625.db2.gz RTVYCJNHSDPZIB-RHSMWYFYSA-N 2 0 343.431 1.398 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)n1 ZINC001034942542 711395803 /nfs/dbraw/zinc/39/58/03/711395803.db2.gz XPISVIHGDROQRD-MSOLQXFVSA-N 2 0 345.491 1.325 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)ncn1 ZINC001034959538 711434703 /nfs/dbraw/zinc/43/47/03/711434703.db2.gz BFHIOAQZVDKCAE-IAGOWNOFSA-N 2 0 331.464 1.206 20 0 EDADRP O=C(N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001034969795 711449216 /nfs/dbraw/zinc/44/92/16/711449216.db2.gz MDRRWRPVUSCPHH-DLBZAZTESA-N 2 0 335.492 1.480 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3oc(=O)oc3c1)C2 ZINC000922391210 711456058 /nfs/dbraw/zinc/45/60/58/711456058.db2.gz URHSJNFLSSDUIF-BCXHYRKLSA-N 2 0 346.427 1.955 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001004149925 711564470 /nfs/dbraw/zinc/56/44/70/711564470.db2.gz NXEFDPKAHGPWSH-AWEZNQCLSA-N 2 0 334.464 1.578 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C2)[C@@H]1C(C)C ZINC000922482774 711609999 /nfs/dbraw/zinc/60/99/99/711609999.db2.gz KFTRHJMDFFEYMA-VNIVASGNSA-N 2 0 340.512 1.106 20 0 EDADRP CN(CCCN(C)C(=O)C1([NH+](C)C)CCC1)C(=O)CCC[NH+](C)C ZINC001067636197 711870727 /nfs/dbraw/zinc/87/07/27/711870727.db2.gz LPUNIMXOALLYFX-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946645334 712134399 /nfs/dbraw/zinc/13/43/99/712134399.db2.gz RRDDCRKPJQAKAF-JZXOWHBKSA-N 2 0 346.475 1.829 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000362945500 282150232 /nfs/dbraw/zinc/15/02/32/282150232.db2.gz SOZZYWVNNRWXME-QGZVFWFLSA-N 2 0 333.476 1.715 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccccc1 ZINC000422589671 282172724 /nfs/dbraw/zinc/17/27/24/282172724.db2.gz JTNPHEFSKHJNTO-QGZVFWFLSA-N 2 0 330.476 1.697 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000167308716 529999925 /nfs/dbraw/zinc/99/99/25/529999925.db2.gz VWRFCZBPFLXRTK-IBGZPJMESA-N 2 0 345.487 1.736 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167900 282388654 /nfs/dbraw/zinc/38/86/54/282388654.db2.gz XPRBFYCDLOVUCM-KRWDZBQOSA-N 2 0 348.535 1.393 20 0 EDADRP CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093899738 539525688 /nfs/dbraw/zinc/52/56/88/539525688.db2.gz YXCLDDNSLWNPOI-INIZCTEOSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)C[C@H](C)O1 ZINC000560598542 306275489 /nfs/dbraw/zinc/27/54/89/306275489.db2.gz UWMVFTPFWIMQMN-BBWFWOEESA-N 2 0 325.497 1.819 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000560747010 306278506 /nfs/dbraw/zinc/27/85/06/306278506.db2.gz JDUZTOFADZPRPO-SJORKVTESA-N 2 0 337.533 1.899 20 0 EDADRP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000560970745 306281376 /nfs/dbraw/zinc/28/13/76/306281376.db2.gz TXQGYLDFGGCULA-KZNAEPCWSA-N 2 0 344.507 1.109 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000561157989 306283277 /nfs/dbraw/zinc/28/32/77/306283277.db2.gz JOKFLIRRSAJJEB-FPCLHWOWSA-N 2 0 340.471 1.699 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561165583 306283536 /nfs/dbraw/zinc/28/35/36/306283536.db2.gz JCYJZDUOVPBESG-NEWSRXKRSA-N 2 0 344.503 1.930 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC([C@H]4CC[NH2+]C4)CC3)C2=O)cn1 ZINC000357070299 282649729 /nfs/dbraw/zinc/64/97/29/282649729.db2.gz GCUOHVCYTYFMEU-RDJZCZTQSA-N 2 0 331.464 1.237 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000342982096 539770196 /nfs/dbraw/zinc/77/01/96/539770196.db2.gz DEOGYRNREBKJMI-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000151934229 539780304 /nfs/dbraw/zinc/78/03/04/539780304.db2.gz XIGPOJVGXJHLLE-ZIAGYGMSSA-N 2 0 339.505 1.976 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccc1)[C@H]1CN(C)CCO1 ZINC000152450793 539813521 /nfs/dbraw/zinc/81/35/21/539813521.db2.gz XZXSELROIZJJHU-FUHWJXTLSA-N 2 0 348.491 1.479 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000345343887 539828994 /nfs/dbraw/zinc/82/89/94/539828994.db2.gz NCKNDZAZCXKVHE-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000562612646 306302876 /nfs/dbraw/zinc/30/28/76/306302876.db2.gz BUXTVAMGNXDMGE-HNNXBMFYSA-N 2 0 345.443 1.109 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751372 306307818 /nfs/dbraw/zinc/30/78/18/306307818.db2.gz OIXBBMYBJNNHSM-MSOLQXFVSA-N 2 0 344.459 1.415 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCCO1 ZINC000562808628 306309947 /nfs/dbraw/zinc/30/99/47/306309947.db2.gz HAECUKYJGBNDIH-KRWDZBQOSA-N 2 0 331.460 1.419 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562808744 306309948 /nfs/dbraw/zinc/30/99/48/306309948.db2.gz QAWFBESCYBAJHN-HOTGVXAUSA-N 2 0 331.464 1.725 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000563145521 306320161 /nfs/dbraw/zinc/32/01/61/306320161.db2.gz XUNYIQOQBRZYMG-SQWLQELKSA-N 2 0 338.496 1.142 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000563198113 306322801 /nfs/dbraw/zinc/32/28/01/306322801.db2.gz FUHJQAIWVHQGQX-INIZCTEOSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000163374481 540053891 /nfs/dbraw/zinc/05/38/91/540053891.db2.gz AOPHVVJBVZPTQW-KRWDZBQOSA-N 2 0 344.503 1.655 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000563347804 306328794 /nfs/dbraw/zinc/32/87/94/306328794.db2.gz XMBCNXDTVZOKCG-QGZVFWFLSA-N 2 0 329.444 1.645 20 0 EDADRP [NH3+]CC1(CC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000184233188 235343056 /nfs/dbraw/zinc/34/30/56/235343056.db2.gz WEWZMDDVJWOUEP-QGZVFWFLSA-N 2 0 337.508 1.857 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]CC2(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000563464850 306334869 /nfs/dbraw/zinc/33/48/69/306334869.db2.gz JQSBPDZKLLDJPI-OAHLLOKOSA-N 2 0 348.495 1.968 20 0 EDADRP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@H]1CCCCO1 ZINC000089126009 138273179 /nfs/dbraw/zinc/27/31/79/138273179.db2.gz IGQZDWWIIGSLNV-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000090579994 138279596 /nfs/dbraw/zinc/27/95/96/138279596.db2.gz QXRTVQGFCBKTEW-RDBSUJKOSA-N 2 0 345.534 1.687 20 0 EDADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2)N1CCOCC1 ZINC000563627777 306342821 /nfs/dbraw/zinc/34/28/21/306342821.db2.gz BDGIEGSIYOZQRF-LJQANCHMSA-N 2 0 343.471 1.546 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000563812039 306348143 /nfs/dbraw/zinc/34/81/43/306348143.db2.gz RDIXPPKYCCVDND-MRXNPFEDSA-N 2 0 331.460 1.276 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NCC[N@@H+]2CCCOCC2)c1 ZINC000186931806 236068429 /nfs/dbraw/zinc/06/84/29/236068429.db2.gz QXEDLBGLTYDJDB-UHFFFAOYSA-N 2 0 334.464 1.270 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000563945706 306352896 /nfs/dbraw/zinc/35/28/96/306352896.db2.gz HBUIUDXLBVMGPR-GOSISDBHSA-N 2 0 328.460 1.870 20 0 EDADRP CN1CCN(C(=O)NCCc2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000564063105 306354565 /nfs/dbraw/zinc/35/45/65/306354565.db2.gz WLQPYNFFEGPRNW-GOSISDBHSA-N 2 0 326.444 1.667 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000564784327 306364500 /nfs/dbraw/zinc/36/45/00/306364500.db2.gz QIPVWSFDMPKIDA-BBRMVZONSA-N 2 0 339.867 1.362 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000447594952 299299422 /nfs/dbraw/zinc/29/94/22/299299422.db2.gz JUEUTJQLZRIWJP-HKUYNNGSSA-N 2 0 335.492 1.616 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000564982197 306371984 /nfs/dbraw/zinc/37/19/84/306371984.db2.gz XFAURBHLHOTFBT-CABCVRRESA-N 2 0 348.491 1.387 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000565639451 306388210 /nfs/dbraw/zinc/38/82/10/306388210.db2.gz RPPRDGNMEYMRNA-WMZOPIPTSA-N 2 0 337.508 1.604 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2c[nH+]ccc2N)cc1 ZINC000188177772 138833523 /nfs/dbraw/zinc/83/35/23/138833523.db2.gz ROUUOKHAGZMPGE-UHFFFAOYSA-N 2 0 328.416 1.924 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@@H]2C1 ZINC000566137748 306399914 /nfs/dbraw/zinc/39/99/14/306399914.db2.gz HHSHLCWSQAWGRH-YESZJQIVSA-N 2 0 337.533 1.757 20 0 EDADRP CCc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414490450 304119714 /nfs/dbraw/zinc/11/97/14/304119714.db2.gz XMDLYVNYZGUBTO-UHFFFAOYSA-N 2 0 332.492 1.530 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2)[C@@H]2CCOC2)C1 ZINC000414701332 304130007 /nfs/dbraw/zinc/13/00/07/304130007.db2.gz GVTGLJGEYXILPC-RBUKOAKNSA-N 2 0 345.487 1.517 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000414710344 304131358 /nfs/dbraw/zinc/13/13/58/304131358.db2.gz SICHCEKSUTUHSU-GJZGRUSLSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000414712862 304131590 /nfs/dbraw/zinc/13/15/90/304131590.db2.gz VKZJEIBKDZSUAN-HUUCEWRRSA-N 2 0 346.475 1.724 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414714985 304131792 /nfs/dbraw/zinc/13/17/92/304131792.db2.gz WWGVHONJAUVSJV-HUUCEWRRSA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCC1 ZINC000414731622 304134067 /nfs/dbraw/zinc/13/40/67/304134067.db2.gz ICZPIANUVGSHCE-QGZVFWFLSA-N 2 0 344.459 1.465 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000414732011 304134087 /nfs/dbraw/zinc/13/40/87/304134087.db2.gz FPKAWGWVCRPELO-QGZVFWFLSA-N 2 0 348.491 1.827 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000414745921 304136436 /nfs/dbraw/zinc/13/64/36/304136436.db2.gz YFXQDNRFLAZNSW-KRWDZBQOSA-N 2 0 346.475 1.581 20 0 EDADRP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414779595 304139802 /nfs/dbraw/zinc/13/98/02/304139802.db2.gz KMNIUIBGVZUOHN-IAGOWNOFSA-N 2 0 348.491 1.885 20 0 EDADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779363 304139851 /nfs/dbraw/zinc/13/98/51/304139851.db2.gz JLABDWWPHKOQFG-QGZVFWFLSA-N 2 0 335.492 1.910 20 0 EDADRP Fc1cccc(Br)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414786691 304140735 /nfs/dbraw/zinc/14/07/35/304140735.db2.gz XRDFKALSGQFNIL-UHFFFAOYSA-N 2 0 330.245 1.973 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000566850811 306430399 /nfs/dbraw/zinc/43/03/99/306430399.db2.gz DACHXWYFWDWRGI-IPMKNSEASA-N 2 0 331.504 1.624 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000415036712 304153453 /nfs/dbraw/zinc/15/34/53/304153453.db2.gz LWBKPAVRFJQGIW-UHFFFAOYSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000415056989 304154975 /nfs/dbraw/zinc/15/49/75/304154975.db2.gz STVYISDFORGEKB-AWEZNQCLSA-N 2 0 332.448 1.465 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415075394 304157888 /nfs/dbraw/zinc/15/78/88/304157888.db2.gz FALATFIRJBLEHQ-AWEZNQCLSA-N 2 0 334.464 1.691 20 0 EDADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415136156 304163066 /nfs/dbraw/zinc/16/30/66/304163066.db2.gz HFSRJJUTTQUUPQ-QZTJIDSGSA-N 2 0 346.450 1.854 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000236687389 139028903 /nfs/dbraw/zinc/02/89/03/139028903.db2.gz HNPMTXXPSVISLQ-OAHLLOKOSA-N 2 0 325.497 1.759 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000236766254 139030705 /nfs/dbraw/zinc/03/07/05/139030705.db2.gz HRLRBLKMZCMKHA-UHFFFAOYSA-N 2 0 348.495 1.505 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236865845 139033766 /nfs/dbraw/zinc/03/37/66/139033766.db2.gz NRTUPWQROIOWMV-HNNXBMFYSA-N 2 0 325.478 1.407 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237191920 139043619 /nfs/dbraw/zinc/04/36/19/139043619.db2.gz MMPGMOMDOAWCAI-QGZVFWFLSA-N 2 0 332.492 1.479 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000237200256 139043874 /nfs/dbraw/zinc/04/38/74/139043874.db2.gz IGMHEIWBRUQVPH-INIZCTEOSA-N 2 0 333.476 1.913 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)C3([NH3+])CCCC3)C2)cc(OC)c1 ZINC000237303965 139047082 /nfs/dbraw/zinc/04/70/82/139047082.db2.gz LJRRLHNCBWIRIL-OAHLLOKOSA-N 2 0 347.459 1.666 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480420 205211264 /nfs/dbraw/zinc/21/12/64/205211264.db2.gz FYZZUMUEIYMVKS-SJORKVTESA-N 2 0 341.496 1.007 20 0 EDADRP Cc1c(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000237504723 139052881 /nfs/dbraw/zinc/05/28/81/139052881.db2.gz NXULKRXHGUCSSG-AWEZNQCLSA-N 2 0 348.495 1.505 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000415193631 304173494 /nfs/dbraw/zinc/17/34/94/304173494.db2.gz MJQQEOFCAMMIBB-CXAGYDPISA-N 2 0 344.459 1.778 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000111448109 220156610 /nfs/dbraw/zinc/15/66/10/220156610.db2.gz KIIYPBFUVXPBDS-BBWFWOEESA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)[C@H]1CCCCN1Cc1ccc(F)cc1 ZINC000237756269 139059717 /nfs/dbraw/zinc/05/97/17/139059717.db2.gz MXCQUKIXLMYWPR-GOSISDBHSA-N 2 0 348.466 1.202 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000111806047 220193860 /nfs/dbraw/zinc/19/38/60/220193860.db2.gz SKXNXEPGUMXBBF-UHFFFAOYSA-N 2 0 348.491 1.252 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000237972129 139065517 /nfs/dbraw/zinc/06/55/17/139065517.db2.gz MATPNHUXAAQYRZ-BZSNNMDCSA-N 2 0 335.492 1.478 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000238011067 139066481 /nfs/dbraw/zinc/06/64/81/139066481.db2.gz WNLQBJVXOMISNM-LJQANCHMSA-N 2 0 345.487 1.832 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238040013 139067342 /nfs/dbraw/zinc/06/73/42/139067342.db2.gz NCCBEHFWVFFOED-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111852200 220209429 /nfs/dbraw/zinc/20/94/29/220209429.db2.gz YYYNRRUDZLTZJT-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP Cn1cc(N2CC[C@H](N3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433612 139108258 /nfs/dbraw/zinc/10/82/58/139108258.db2.gz CTEGMQCGHGGNCW-QGTPRVQTSA-N 2 0 343.475 1.474 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246794264 139121768 /nfs/dbraw/zinc/12/17/68/139121768.db2.gz QEMCNOAVPAYSDC-TWMKSMIVSA-N 2 0 337.508 1.865 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000247023056 139131704 /nfs/dbraw/zinc/13/17/04/139131704.db2.gz XZJGIPWLHHWFNQ-HOCLYGCPSA-N 2 0 348.491 1.656 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000247235489 139141676 /nfs/dbraw/zinc/14/16/76/139141676.db2.gz DJDSUCJOSVBJCP-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000247331742 139145271 /nfs/dbraw/zinc/14/52/71/139145271.db2.gz VDMGYROSLYKGIB-HOCLYGCPSA-N 2 0 341.377 1.919 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415379281 304208992 /nfs/dbraw/zinc/20/89/92/304208992.db2.gz RAQKSVIRJKENGL-HNNXBMFYSA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000415388763 304211427 /nfs/dbraw/zinc/21/14/27/304211427.db2.gz DJXQKRIQVMASRO-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000248796953 139175699 /nfs/dbraw/zinc/17/56/99/139175699.db2.gz YVDFMPPDWYDYMD-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2)[nH+]1 ZINC000249863952 139199408 /nfs/dbraw/zinc/19/94/08/139199408.db2.gz HCDREKWMVOZUJD-ULQDDVLXSA-N 2 0 346.475 1.760 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCC(C)CC1 ZINC000252977985 139205511 /nfs/dbraw/zinc/20/55/11/139205511.db2.gz XJKUATWEEDWRAA-IKGGRYGDSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261708884 139219557 /nfs/dbraw/zinc/21/95/57/139219557.db2.gz KFXYHWIRAJYZNT-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC1([NH3+])CCC1)c1ccc(Br)cc1 ZINC000261830964 139229722 /nfs/dbraw/zinc/22/97/22/139229722.db2.gz OSLZIRXBBCXSKT-CYBMUJFWSA-N 2 0 326.238 1.621 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261836659 139230180 /nfs/dbraw/zinc/23/01/80/139230180.db2.gz UDMGNVXYGQXDDP-QRQLOZEOSA-N 2 0 344.503 1.213 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)O1 ZINC000261914682 139236647 /nfs/dbraw/zinc/23/66/47/139236647.db2.gz YAJOFZJUTXOASB-ZBFHGGJFSA-N 2 0 337.489 1.583 20 0 EDADRP C[NH2+]CCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414858013 250867029 /nfs/dbraw/zinc/86/70/29/250867029.db2.gz HGEJAHYUOJKRHD-UHFFFAOYSA-N 2 0 325.478 1.347 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174515994 207026455 /nfs/dbraw/zinc/02/64/55/207026455.db2.gz MHZDYGBZQLULOS-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000416017820 251047996 /nfs/dbraw/zinc/04/79/96/251047996.db2.gz VXZVOMBZFYSZLT-KBPBESRZSA-N 2 0 332.448 1.911 20 0 EDADRP O=C(CC[NH+]1CCC(COc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262215069 139260561 /nfs/dbraw/zinc/26/05/61/139260561.db2.gz UBNSMFKSFFWFHT-UHFFFAOYSA-N 2 0 331.460 1.599 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000416796543 251110458 /nfs/dbraw/zinc/11/04/58/251110458.db2.gz WXLMQPCDGVTCOO-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416831406 251111499 /nfs/dbraw/zinc/11/14/99/251111499.db2.gz VMORVNQZHBILIW-RHSMWYFYSA-N 2 0 334.464 1.739 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000416992206 251121106 /nfs/dbraw/zinc/12/11/06/251121106.db2.gz OYAPKMTZTCSPFQ-KRWDZBQOSA-N 2 0 348.491 1.816 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000417004964 251127244 /nfs/dbraw/zinc/12/72/44/251127244.db2.gz IJMNQPFXOHBDFK-ZWKOTPCHSA-N 2 0 332.492 1.991 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417019363 251135012 /nfs/dbraw/zinc/13/50/12/251135012.db2.gz IOSUILURODPEKN-INIZCTEOSA-N 2 0 330.476 1.686 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000262329164 139270619 /nfs/dbraw/zinc/27/06/19/139270619.db2.gz GJXGWCNQCBGQBJ-CYJAXWMASA-N 2 0 337.508 1.770 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417089889 251140899 /nfs/dbraw/zinc/14/08/99/251140899.db2.gz SGWMYQDQAVFFEU-GUDVDZBRSA-N 2 0 342.487 1.902 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000417090553 251141298 /nfs/dbraw/zinc/14/12/98/251141298.db2.gz XAPVEDGSHMWHGX-ROUUACIJSA-N 2 0 346.475 1.410 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000417221001 251148366 /nfs/dbraw/zinc/14/83/66/251148366.db2.gz ZKWSQTXLVVNZKP-FUHWJXTLSA-N 2 0 339.528 1.091 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000262340424 139271576 /nfs/dbraw/zinc/27/15/76/139271576.db2.gz SYOJAYBPEPOBKI-OAHLLOKOSA-N 2 0 333.476 1.988 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)c1ccccc1 ZINC000417518869 251182823 /nfs/dbraw/zinc/18/28/23/251182823.db2.gz TXXUXIWQKCQZBD-SZMVWBNQSA-N 2 0 348.491 1.685 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417550611 251186661 /nfs/dbraw/zinc/18/66/61/251186661.db2.gz WCFYYZIIAWFZFF-CABCVRRESA-N 2 0 340.512 1.502 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000262373403 139274064 /nfs/dbraw/zinc/27/40/64/139274064.db2.gz LZIQJBDTTDYTPS-OAHLLOKOSA-N 2 0 345.487 1.879 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417587868 251200227 /nfs/dbraw/zinc/20/02/27/251200227.db2.gz SREKUYXIYKWTJW-HOTGVXAUSA-N 2 0 340.512 1.646 20 0 EDADRP CN(C)[C@H](CNC(=O)N1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000417661807 251217738 /nfs/dbraw/zinc/21/77/38/251217738.db2.gz QFXQGXQJSPHIAQ-SMDDNHRTSA-N 2 0 326.391 1.700 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415577256 304230330 /nfs/dbraw/zinc/23/03/30/304230330.db2.gz YXYIROYKAIBBTF-HUUCEWRRSA-N 2 0 346.475 1.676 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417623627 251209452 /nfs/dbraw/zinc/20/94/52/251209452.db2.gz JZLFELLZJTZEJK-ZBFHGGJFSA-N 2 0 334.464 1.485 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262456768 139280357 /nfs/dbraw/zinc/28/03/57/139280357.db2.gz IESUYVWFLIYKIN-VKJFTORMSA-N 2 0 333.476 1.532 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417753721 251256725 /nfs/dbraw/zinc/25/67/25/251256725.db2.gz UOQZJWDXGRVPRF-AEFFLSMTSA-N 2 0 347.507 1.259 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417845561 251296181 /nfs/dbraw/zinc/29/61/81/251296181.db2.gz SBDAQRJTYJBQEO-OAGGEKHMSA-N 2 0 325.497 1.756 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H](C(=O)NCC[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000417783453 251267879 /nfs/dbraw/zinc/26/78/79/251267879.db2.gz NHYIKVTUQFVSPZ-HOTGVXAUSA-N 2 0 346.475 1.026 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000418078654 251320834 /nfs/dbraw/zinc/32/08/34/251320834.db2.gz OPSWAHQIJDHOSZ-XQQFMLRXSA-N 2 0 336.402 1.639 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418434007 251369975 /nfs/dbraw/zinc/36/99/75/251369975.db2.gz DYEWNYMBYGHHOI-LJQANCHMSA-N 2 0 348.491 1.440 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000418443849 251372679 /nfs/dbraw/zinc/37/26/79/251372679.db2.gz AKCORDJTWDXKKW-FUHWJXTLSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000262528956 139284450 /nfs/dbraw/zinc/28/44/50/139284450.db2.gz MOMWQYREHBBTIM-CABCVRRESA-N 2 0 346.475 1.112 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418385277 251363736 /nfs/dbraw/zinc/36/37/36/251363736.db2.gz PDBWNPDCBLWANS-AWEZNQCLSA-N 2 0 326.391 1.400 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000418709551 251391857 /nfs/dbraw/zinc/39/18/57/251391857.db2.gz URPSXNYYGNAJLG-WCXIOVBPSA-N 2 0 340.512 1.787 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418726372 251398161 /nfs/dbraw/zinc/39/81/61/251398161.db2.gz CRMJHYQYVAGIIE-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CCCC1)c1ccccc1 ZINC000262550896 139286081 /nfs/dbraw/zinc/28/60/81/139286081.db2.gz TUGMKAJRBVUPEN-XIRDDKMYSA-N 2 0 331.460 1.489 20 0 EDADRP O=C(N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418783128 251434135 /nfs/dbraw/zinc/43/41/35/251434135.db2.gz FFNLUKZJFMNSJY-OKZBNKHCSA-N 2 0 334.508 1.892 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1C[NH+](C)C ZINC000415587999 304233717 /nfs/dbraw/zinc/23/37/17/304233717.db2.gz ZLZKRIBXRKRZLZ-UKRRQHHQSA-N 2 0 332.448 1.191 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262716407 139298543 /nfs/dbraw/zinc/29/85/43/139298543.db2.gz VTTWPTHPDWQAPD-HOCLYGCPSA-N 2 0 332.448 1.450 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C[NH3+])OC ZINC000262751228 139301152 /nfs/dbraw/zinc/30/11/52/139301152.db2.gz BWYQFBHCQDKMNX-ROUUACIJSA-N 2 0 333.476 1.721 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000422874843 252008427 /nfs/dbraw/zinc/00/84/27/252008427.db2.gz DKGAMTSPPVTJDY-HLLBOEOZSA-N 2 0 336.480 1.539 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000422897611 252015092 /nfs/dbraw/zinc/01/50/92/252015092.db2.gz CHBLAMJTSHCWNK-ZBFHGGJFSA-N 2 0 339.505 1.803 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422894933 252015587 /nfs/dbraw/zinc/01/55/87/252015587.db2.gz DMXVPFGLOHWXPK-XUVXKRRUSA-N 3 0 347.503 1.874 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422854410 252001075 /nfs/dbraw/zinc/00/10/75/252001075.db2.gz CSMAJEBXWASUDQ-ROUUACIJSA-N 2 0 334.508 1.541 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(C3CCCC3)C2)CC[NH2+]CC1 ZINC000422864206 252004240 /nfs/dbraw/zinc/00/42/40/252004240.db2.gz UPHNRSBOGSNAGO-HOTGVXAUSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423093001 252036869 /nfs/dbraw/zinc/03/68/69/252036869.db2.gz FDPDPSSFRZAGEE-CJNGLKHVSA-N 2 0 343.468 1.424 20 0 EDADRP CN(CC[NH2+][C@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094572 252037128 /nfs/dbraw/zinc/03/71/28/252037128.db2.gz KKMBGBZOTQKVSF-WFASDCNBSA-N 2 0 329.441 1.163 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176322 252043040 /nfs/dbraw/zinc/04/30/40/252043040.db2.gz GRGSQMZVFCMHJC-AZUAARDMSA-N 2 0 330.520 1.782 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)[C@H]1Oc1ccccc1 ZINC000423179522 252044325 /nfs/dbraw/zinc/04/43/25/252044325.db2.gz HIKYYIPVXXUTLR-GUDVDZBRSA-N 2 0 333.476 1.496 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423481767 252055134 /nfs/dbraw/zinc/05/51/34/252055134.db2.gz ONJVEYPHVFXQML-WMLDXEAASA-N 2 0 337.489 1.833 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422909088 252019820 /nfs/dbraw/zinc/01/98/20/252019820.db2.gz ZUAKANHIXJOOJG-UHFFFAOYSA-N 2 0 325.478 1.356 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424043662 252123244 /nfs/dbraw/zinc/12/32/44/252123244.db2.gz RBXLSYDPZMDTHK-PBHICJAKSA-N 2 0 345.491 1.727 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423796910 252079820 /nfs/dbraw/zinc/07/98/20/252079820.db2.gz MFBLOQLLZOFKQN-QGZVFWFLSA-N 2 0 330.476 1.881 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423795943 252079903 /nfs/dbraw/zinc/07/99/03/252079903.db2.gz KYZNPJWSXXPWDW-PKOBYXMFSA-N 2 0 330.476 1.752 20 0 EDADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424289094 252190770 /nfs/dbraw/zinc/19/07/70/252190770.db2.gz LMDFWVZHUYXPDI-CQSZACIVSA-N 2 0 333.480 1.818 20 0 EDADRP c1c(C[NH2+][C@H]2CCN(c3ccccn3)C2)onc1C1CC[NH2+]CC1 ZINC000425899022 252313769 /nfs/dbraw/zinc/31/37/69/252313769.db2.gz KGTDIIXUOHEWPS-HNNXBMFYSA-N 2 0 327.432 1.905 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])ccn2)CC1 ZINC000263084560 139321485 /nfs/dbraw/zinc/32/14/85/139321485.db2.gz XUVVGRVUQWTZNV-APWZRJJASA-N 2 0 345.491 1.357 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000353108107 285022810 /nfs/dbraw/zinc/02/28/10/285022810.db2.gz FHLAKCTVHZDCNO-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480272 285036947 /nfs/dbraw/zinc/03/69/47/285036947.db2.gz FYZZUMUEIYMVKS-DLBZAZTESA-N 2 0 341.496 1.007 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112464655 220332644 /nfs/dbraw/zinc/33/26/44/220332644.db2.gz LMUQAYNYOBSKHW-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187398912 296389607 /nfs/dbraw/zinc/38/96/07/296389607.db2.gz WSVIRVKAASOREE-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000488506659 255044934 /nfs/dbraw/zinc/04/49/34/255044934.db2.gz OPVBUQNBBDAHNV-HPFXQQBRSA-N 2 0 331.464 1.439 20 0 EDADRP COc1ccccc1[C@@H]1CN(C(=O)[C@@H]2CCCc3nccn32)CCN1 ZINC000488584946 255045484 /nfs/dbraw/zinc/04/54/84/255045484.db2.gz VKFBVBKXRKASAG-HOTGVXAUSA-N 2 0 340.427 1.942 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cnn(C)c1 ZINC000363195946 285248322 /nfs/dbraw/zinc/24/83/22/285248322.db2.gz JZPMBIDNCRPXQW-SQNIBIBYSA-N 2 0 347.507 1.398 20 0 EDADRP CCn1nccc1/C=C\C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000492223459 255163483 /nfs/dbraw/zinc/16/34/83/255163483.db2.gz AXDCVLIUYHKLMW-LPADLIQXSA-N 2 0 347.507 1.791 20 0 EDADRP C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492607693 255182855 /nfs/dbraw/zinc/18/28/55/255182855.db2.gz IIBJNPSWGPYSJW-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000570395419 306540442 /nfs/dbraw/zinc/54/04/42/306540442.db2.gz OCXSXSQJRLKNQZ-ZMSDIMECSA-N 2 0 331.464 1.269 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358817314 285269852 /nfs/dbraw/zinc/26/98/52/285269852.db2.gz BTWITVGAAQNJLG-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1occ2c1CCOC2 ZINC000375714868 285281832 /nfs/dbraw/zinc/28/18/32/285281832.db2.gz RYICGEZZARKUFJ-INIZCTEOSA-N 2 0 349.475 1.840 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000264104651 139380694 /nfs/dbraw/zinc/38/06/94/139380694.db2.gz FZZQOBBDONHEQX-LJQANCHMSA-N 2 0 344.503 1.898 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264192263 139385729 /nfs/dbraw/zinc/38/57/29/139385729.db2.gz PBDZYGWGGQWBLI-UHFFFAOYSA-N 2 0 333.476 1.933 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1[NH3+] ZINC000415836729 304279758 /nfs/dbraw/zinc/27/97/58/304279758.db2.gz XVWYZPJAKFDJEB-RHSMWYFYSA-N 2 0 344.459 1.417 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415882602 304284152 /nfs/dbraw/zinc/28/41/52/304284152.db2.gz LFXPQLPCMLKQPB-UHFFFAOYSA-N 2 0 346.475 1.955 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000415915546 304285347 /nfs/dbraw/zinc/28/53/47/304285347.db2.gz FUXZCNBGUKDPME-HNNXBMFYSA-N 2 0 333.480 1.411 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000415934965 304286244 /nfs/dbraw/zinc/28/62/44/304286244.db2.gz SYFMIBVOMCLRIK-INIZCTEOSA-N 2 0 334.464 1.764 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270349880 140083936 /nfs/dbraw/zinc/08/39/36/140083936.db2.gz SKGUKWACGZYHGR-QGZVFWFLSA-N 3 0 345.491 1.100 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271043884 140226024 /nfs/dbraw/zinc/22/60/24/140226024.db2.gz RLWDYHYKVORGFC-MRXNPFEDSA-N 2 0 347.503 1.961 20 0 EDADRP CS[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000271782828 140349637 /nfs/dbraw/zinc/34/96/37/140349637.db2.gz KDRQRCOKEQRROO-STQMWFEESA-N 2 0 327.519 1.927 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000271884950 140366871 /nfs/dbraw/zinc/36/68/71/140366871.db2.gz RTPIXABEECTPDJ-IRXDYDNUSA-N 2 0 346.475 1.525 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000271926302 140373742 /nfs/dbraw/zinc/37/37/42/140373742.db2.gz LIASTFRGSUYACO-UHFFFAOYSA-N 2 0 342.487 1.426 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000331369068 141012490 /nfs/dbraw/zinc/01/24/90/141012490.db2.gz CJNLGYBYJMJDKK-LBPRGKRZSA-N 2 0 343.880 1.561 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@@H](C)O1 ZINC000331450865 141031332 /nfs/dbraw/zinc/03/13/32/141031332.db2.gz SUJVHFNXFQHJIU-UUAJXVIYSA-N 2 0 338.496 1.255 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332138606 141129518 /nfs/dbraw/zinc/12/95/18/141129518.db2.gz LRXFQDISAXRZEC-MXASKKJJSA-N 2 0 334.439 1.779 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000332366140 141169745 /nfs/dbraw/zinc/16/97/45/141169745.db2.gz YLHXTLDCARUAMU-CRAIPNDOSA-N 2 0 330.476 1.948 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000332366141 141169817 /nfs/dbraw/zinc/16/98/17/141169817.db2.gz YLHXTLDCARUAMU-MAUKXSAKSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C[N@@H+]1C1CC1 ZINC000333144953 141271512 /nfs/dbraw/zinc/27/15/12/141271512.db2.gz DNXMFBCKZWGZLL-QXRTWZOPSA-N 2 0 328.460 1.748 20 0 EDADRP [NH3+]C1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000333146348 141271782 /nfs/dbraw/zinc/27/17/82/141271782.db2.gz DRTNAAQDNJJMMW-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333324341 141299440 /nfs/dbraw/zinc/29/94/40/141299440.db2.gz QGUQIJYTSMCRRX-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)NC1CC[NH2+]CC1 ZINC000333442217 141317671 /nfs/dbraw/zinc/31/76/71/141317671.db2.gz WGVIFMNUUZEOTN-UHFFFAOYSA-N 2 0 340.537 1.789 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333627516 141347215 /nfs/dbraw/zinc/34/72/15/141347215.db2.gz GBBGZHXKFPDSEG-JSSFPYSZSA-N 2 0 348.466 1.911 20 0 EDADRP Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333653099 141350859 /nfs/dbraw/zinc/35/08/59/141350859.db2.gz ZIPGUIZBKAVFDJ-UXLLHSPISA-N 2 0 345.491 1.443 20 0 EDADRP C[C@@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC[N@@H+](C2CC2)C1 ZINC000333678829 141355571 /nfs/dbraw/zinc/35/55/71/141355571.db2.gz KSKUQZZZAFKEBO-JKSUJKDBSA-N 2 0 345.491 1.606 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000333762033 141375736 /nfs/dbraw/zinc/37/57/36/141375736.db2.gz CURDSTWRVNKBMR-GFIVTLFCSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333796914 141383654 /nfs/dbraw/zinc/38/36/54/141383654.db2.gz HDQIBXKPIICALS-RHSMWYFYSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333799414 141384063 /nfs/dbraw/zinc/38/40/63/141384063.db2.gz HMYWFSTZONNXPS-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000333826093 141388856 /nfs/dbraw/zinc/38/88/56/141388856.db2.gz KAWOQNSUMJRCBY-LJQANCHMSA-N 3 0 332.492 1.733 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000333839588 141391836 /nfs/dbraw/zinc/39/18/36/141391836.db2.gz NZKDMHJERICGTR-BDXSIMOUSA-N 2 0 343.475 1.295 20 0 EDADRP Cn1ccnc1CNC(=O)[C@H]1C[N@@H+](C(C)(C)C)C[C@@H]1C(F)(F)F ZINC000339911117 142197458 /nfs/dbraw/zinc/19/74/58/142197458.db2.gz CQSOBWDBGRMIRP-QWRGUYRKSA-N 2 0 332.370 1.945 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340120081 142272084 /nfs/dbraw/zinc/27/20/84/142272084.db2.gz QIZIDBWEVQEZHQ-FUHWJXTLSA-N 3 0 345.491 1.085 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000340254483 142320919 /nfs/dbraw/zinc/32/09/19/142320919.db2.gz HYDHTRAGGMECNN-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000344903505 143025408 /nfs/dbraw/zinc/02/54/08/143025408.db2.gz GFYKEDWZFHUFDV-INIZCTEOSA-N 2 0 330.542 1.797 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@@H+]1C ZINC000345319949 143077368 /nfs/dbraw/zinc/07/73/68/143077368.db2.gz MQRSBGDLQGOEES-APWZRJJASA-N 2 0 344.503 1.647 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345627260 143113902 /nfs/dbraw/zinc/11/39/02/143113902.db2.gz IOOBLKCGVDRQIH-HOTGVXAUSA-N 2 0 328.501 1.205 20 0 EDADRP COC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000163623872 292094285 /nfs/dbraw/zinc/09/42/85/292094285.db2.gz HSWWUYNCIBRDLZ-CQSZACIVSA-N 2 0 337.489 1.770 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCCC2)[N@H+](C)C1 ZINC000345869584 143141640 /nfs/dbraw/zinc/14/16/40/143141640.db2.gz WPIRZHVHRVNTTI-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H](C)C1 ZINC000346187547 143176808 /nfs/dbraw/zinc/17/68/08/143176808.db2.gz DXPAPNVJMZAGHQ-RLFYNMQTSA-N 2 0 330.476 1.946 20 0 EDADRP CCC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCOCC1 ZINC000346694173 143232878 /nfs/dbraw/zinc/23/28/78/143232878.db2.gz SINZENMGXAAFRC-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346823927 143249309 /nfs/dbraw/zinc/24/93/09/143249309.db2.gz GBPSIRXONXVWMP-XIRDDKMYSA-N 2 0 331.460 1.713 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccc3cccnc32)C1)N1CC[NH2+]CC1 ZINC000347010110 143270985 /nfs/dbraw/zinc/27/09/85/143270985.db2.gz FXGVDFCHHQQOBD-SFHVURJKSA-N 2 0 338.455 1.879 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1)N1CC[NH2+]CC1 ZINC000347032187 143274125 /nfs/dbraw/zinc/27/41/25/143274125.db2.gz ZCCNFJCTSXJYLH-INIZCTEOSA-N 2 0 327.432 1.207 20 0 EDADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000347040371 143275336 /nfs/dbraw/zinc/27/53/36/143275336.db2.gz KKCNFDDQQUISTQ-MRXNPFEDSA-N 2 0 333.480 1.164 20 0 EDADRP c1nc(N2CCOCC2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347219444 143296476 /nfs/dbraw/zinc/29/64/76/143296476.db2.gz SLIYEUAKAGMMJM-INIZCTEOSA-N 2 0 336.505 1.944 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000347327345 143309052 /nfs/dbraw/zinc/30/90/52/143309052.db2.gz MUIXWZNRAMHMOI-IAGOWNOFSA-N 2 0 342.528 1.856 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000347420186 143318982 /nfs/dbraw/zinc/31/89/82/143318982.db2.gz CGSRJRSTULPPOP-INIZCTEOSA-N 2 0 328.501 1.110 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[NH+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000347426294 143319596 /nfs/dbraw/zinc/31/95/96/143319596.db2.gz KZXSQDXPTHKCLP-XHSDSOJGSA-N 2 0 343.537 1.429 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000347454552 143323419 /nfs/dbraw/zinc/32/34/19/143323419.db2.gz LVNDAUBGNZWYSA-MOPGFXCFSA-N 2 0 346.519 1.999 20 0 EDADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1cccc(N3CC[NH+](C)CC3)n1)CC2 ZINC000347722056 143354557 /nfs/dbraw/zinc/35/45/57/143354557.db2.gz VMUUUUKDOVIWMW-CVEARBPZSA-N 2 0 343.475 1.142 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000369777515 155172610 /nfs/dbraw/zinc/17/26/10/155172610.db2.gz KBIZOAXINPCSHM-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(OC)c(OC)cc2F)CC1 ZINC000573212314 306615779 /nfs/dbraw/zinc/61/57/79/306615779.db2.gz SHAYAWAOHMFIGK-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000369820904 155189478 /nfs/dbraw/zinc/18/94/78/155189478.db2.gz WVNJSGRTQNYEQV-QGZVFWFLSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416841249 304350684 /nfs/dbraw/zinc/35/06/84/304350684.db2.gz LVNKRSUQTSZZQO-KURKYZTESA-N 2 0 330.476 1.410 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000416858319 304352375 /nfs/dbraw/zinc/35/23/75/304352375.db2.gz YXYOUTPYAVXQDG-BPQIPLTHSA-N 2 0 332.492 1.928 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000416861199 304352688 /nfs/dbraw/zinc/35/26/88/304352688.db2.gz WUDXGCPNVZSKTO-QGZVFWFLSA-N 2 0 332.448 1.351 20 0 EDADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000352609556 149084949 /nfs/dbraw/zinc/08/49/49/149084949.db2.gz ISYFEUQRNOZDMR-MRXNPFEDSA-N 2 0 349.479 1.036 20 0 EDADRP CCNC(=O)NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369904558 155223716 /nfs/dbraw/zinc/22/37/16/155223716.db2.gz NIOGIALVAQJXOW-WBVHZDCISA-N 2 0 346.475 1.675 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000352780202 149161964 /nfs/dbraw/zinc/16/19/64/149161964.db2.gz OEAAOEZPNQNRQR-ZWKOTPCHSA-N 2 0 344.503 1.750 20 0 EDADRP CN(CC(=O)N1CCO[C@@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921726 149215300 /nfs/dbraw/zinc/21/53/00/149215300.db2.gz KWOBAAHMPOOZAI-VQTPCSAVSA-N 2 0 335.492 1.713 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353090078 149282520 /nfs/dbraw/zinc/28/25/20/149282520.db2.gz RTGCXWHYPQCTAV-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000353099534 149285851 /nfs/dbraw/zinc/28/58/51/149285851.db2.gz WEGFHSLCKHBJLP-HZPDHXFCSA-N 2 0 338.496 1.148 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000416969064 304357252 /nfs/dbraw/zinc/35/72/52/304357252.db2.gz KAJKPRJWXBDQTO-QGZVFWFLSA-N 2 0 334.464 1.396 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416972705 304358261 /nfs/dbraw/zinc/35/82/61/304358261.db2.gz SNBRDUZEXRSAHR-INIZCTEOSA-N 2 0 348.491 1.816 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000573615828 306626867 /nfs/dbraw/zinc/62/68/67/306626867.db2.gz CGEUOWPHBZWGID-UHFFFAOYSA-N 2 0 335.448 1.381 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979189 304360240 /nfs/dbraw/zinc/36/02/40/304360240.db2.gz WRTPJFNWOLDQLI-PBHICJAKSA-N 2 0 334.464 1.424 20 0 EDADRP CN(C)c1nccc(N2C[C@H](F)C[C@H]2C[N@H+](C)Cc2cncnc2)n1 ZINC000354911824 150027547 /nfs/dbraw/zinc/02/75/47/150027547.db2.gz ASVGKXAAQZHJCQ-CABCVRRESA-N 2 0 345.426 1.381 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)C1C[NH2+]C1 ZINC000416980036 304360462 /nfs/dbraw/zinc/36/04/62/304360462.db2.gz AZHONUZWBAXGKS-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)nc3)[C@H]2C1 ZINC000355366403 150236030 /nfs/dbraw/zinc/23/60/30/150236030.db2.gz NBDITPROHKNTHM-IRXDYDNUSA-N 2 0 332.448 1.078 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000355381325 150244575 /nfs/dbraw/zinc/24/45/75/150244575.db2.gz HICZMGGTFOFKFE-BZSNNMDCSA-N 2 0 335.492 1.715 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)Cc1ccccc1 ZINC000355437154 150266681 /nfs/dbraw/zinc/26/66/81/150266681.db2.gz BNECNEYAROUKLM-OALUTQOASA-N 2 0 347.503 1.465 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000358073263 151259539 /nfs/dbraw/zinc/25/95/39/151259539.db2.gz BKMSVTMXJAEZMX-HKUYNNGSSA-N 2 0 331.460 1.224 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000358120016 151278720 /nfs/dbraw/zinc/27/87/20/151278720.db2.gz ZRAHZOJNGQSMNS-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000358131512 151283143 /nfs/dbraw/zinc/28/31/43/151283143.db2.gz VIDTZTQALCJQFH-OKILXGFUSA-N 2 0 342.528 1.171 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360413614 152028988 /nfs/dbraw/zinc/02/89/88/152028988.db2.gz MCUKPDXAUSANMB-GOEBONIOSA-N 2 0 330.542 1.699 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC000360692693 152155956 /nfs/dbraw/zinc/15/59/56/152155956.db2.gz JKVPPHJFOAOKPY-GJZGRUSLSA-N 2 0 340.537 1.692 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360742688 152180647 /nfs/dbraw/zinc/18/06/47/152180647.db2.gz ACXIGJCHLMORFR-MRXNPFEDSA-N 2 0 328.526 1.549 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361907543 152545261 /nfs/dbraw/zinc/54/52/61/152545261.db2.gz PHAALVWHYFXCPG-OAHLLOKOSA-N 2 0 330.542 1.797 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417181095 304381325 /nfs/dbraw/zinc/38/13/25/304381325.db2.gz HNMNMGXBYKJNJB-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP c1ccc(CC[NH+]2CCN(CCN3C[C@H]4CC[C@@H](C3)O4)CC2)cc1 ZINC000364100414 153145342 /nfs/dbraw/zinc/14/53/42/153145342.db2.gz GCPDOSNGGXAWHN-BGYRXZFFSA-N 2 0 329.488 1.710 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]2CCCC2)cc1 ZINC000262819065 286357366 /nfs/dbraw/zinc/35/73/66/286357366.db2.gz GQIHKMIFLTUTHO-IAGOWNOFSA-N 2 0 335.448 1.312 20 0 EDADRP C[C@@H](CN1CCOCC1)N(C)C(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000364244054 153185548 /nfs/dbraw/zinc/18/55/48/153185548.db2.gz YFDKGBVIOVPCQX-JXFKEZNVSA-N 2 0 345.487 1.569 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000364740305 153319878 /nfs/dbraw/zinc/31/98/78/153319878.db2.gz QUZHXPDFRLNXGG-JKSUJKDBSA-N 2 0 331.460 1.984 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417196417 304383540 /nfs/dbraw/zinc/38/35/40/304383540.db2.gz PGZNVZILXHGCJU-OTWHNJEPSA-N 2 0 344.503 1.800 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH+](C)[C@H]3C2)C1 ZINC000364927148 153371463 /nfs/dbraw/zinc/37/14/63/153371463.db2.gz WEMSVNFAROLBRZ-BBWFWOEESA-N 2 0 338.496 1.079 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[NH+]2CCC1CC2)Cc1ccc(F)cc1 ZINC000367073023 154000314 /nfs/dbraw/zinc/00/03/14/154000314.db2.gz IJDRGNYRAOHQIO-UHFFFAOYSA-N 2 0 334.439 1.747 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000574573908 306653200 /nfs/dbraw/zinc/65/32/00/306653200.db2.gz JMWCTDCZJOSSLM-MSOLQXFVSA-N 2 0 348.466 1.106 20 0 EDADRP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367927660 154330941 /nfs/dbraw/zinc/33/09/41/154330941.db2.gz QGIINVOVYVHRHL-VHDGCEQUSA-N 2 0 336.398 1.875 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000417345477 304393489 /nfs/dbraw/zinc/39/34/89/304393489.db2.gz ULHLOCRZXQJBJN-LZQZEXGQSA-N 2 0 342.487 1.969 20 0 EDADRP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000369455420 155042677 /nfs/dbraw/zinc/04/26/77/155042677.db2.gz JSXNGSZBCBFZMA-DOTOQJQBSA-N 2 0 333.480 1.543 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000369547210 155081823 /nfs/dbraw/zinc/08/18/23/155081823.db2.gz RQJIJJZDJHNDNV-NJINODPHSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417485697 304399487 /nfs/dbraw/zinc/39/94/87/304399487.db2.gz XAZMCUNYNXFJHY-QGZVFWFLSA-N 2 0 336.480 1.800 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000371598339 156024092 /nfs/dbraw/zinc/02/40/92/156024092.db2.gz GMXZWAXBWMCMBJ-ROUUACIJSA-N 2 0 345.491 1.687 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000373038787 292337615 /nfs/dbraw/zinc/33/76/15/292337615.db2.gz WRMJZQAKKWARAU-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP CN(C(=O)Cc1cccc(O)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371974030 156191061 /nfs/dbraw/zinc/19/10/61/156191061.db2.gz MYOIXOXEQQAFAC-KRWDZBQOSA-N 2 0 331.460 1.562 20 0 EDADRP CCC[C@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000372356356 156350693 /nfs/dbraw/zinc/35/06/93/156350693.db2.gz LDIFJAOFCDXPTM-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000417526203 304403374 /nfs/dbraw/zinc/40/33/74/304403374.db2.gz MGURMPONVJOCIG-MAUKXSAKSA-N 2 0 348.491 1.548 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417532389 304403849 /nfs/dbraw/zinc/40/38/49/304403849.db2.gz VVAJHZZVGFMJHO-MAUKXSAKSA-N 2 0 348.491 1.609 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000458229821 292349265 /nfs/dbraw/zinc/34/92/65/292349265.db2.gz FXOUOCCZVPLKHN-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CN1CCO[C@@H](C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000373879824 157045851 /nfs/dbraw/zinc/04/58/51/157045851.db2.gz CSXPCIPHGOMCOX-IAGOWNOFSA-N 2 0 349.500 1.051 20 0 EDADRP Cn1ccnc1[C@@H]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000374366312 157260643 /nfs/dbraw/zinc/26/06/43/157260643.db2.gz RNUWYUPYINUISY-MRXNPFEDSA-N 2 0 346.475 1.771 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000378041736 158063011 /nfs/dbraw/zinc/06/30/11/158063011.db2.gz FPKPQLKDGPCRAC-JYJNAYRXSA-N 2 0 340.512 1.203 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]([NH3+])CCSC)CC2)CC1 ZINC000378208685 158109890 /nfs/dbraw/zinc/10/98/90/158109890.db2.gz WENRJQZXJNMQCB-INIZCTEOSA-N 2 0 342.553 1.085 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)NCC[NH+](C)C)CCCCCC2)CC1 ZINC000378287121 158129905 /nfs/dbraw/zinc/12/99/05/158129905.db2.gz BDWJDEXKVDIBQL-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP Cc1nnc(N2CCC([NH2+][C@@H](C)CN3CC[NH+](C)CC3)CC2)s1 ZINC000378629719 158223291 /nfs/dbraw/zinc/22/32/91/158223291.db2.gz ZZSACSAVFQJEFY-ZDUSSCGKSA-N 2 0 338.525 1.041 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418583850 286826943 /nfs/dbraw/zinc/82/69/43/286826943.db2.gz AWUYUAYHAYETSC-KKUMJFAQSA-N 2 0 326.485 1.255 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000352207775 162050729 /nfs/dbraw/zinc/05/07/29/162050729.db2.gz CWYWPRLVLXTJBR-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000352267315 162084775 /nfs/dbraw/zinc/08/47/75/162084775.db2.gz SKZAYNHLKBTGSE-MRXNPFEDSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)N1CC[NH+](C)CC1 ZINC000352457813 162191699 /nfs/dbraw/zinc/19/16/99/162191699.db2.gz FXPMTIVPNZVOIV-MRXNPFEDSA-N 2 0 327.476 1.813 20 0 EDADRP COC[C@]1(CNC(=O)NCC[C@@H](C)[NH+]2CCCCC2)CCC[NH2+]1 ZINC000418003790 304445173 /nfs/dbraw/zinc/44/51/73/304445173.db2.gz NINGQKLWFPPXSV-NVXWUHKLSA-N 2 0 326.485 1.319 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1 ZINC000418062429 304453092 /nfs/dbraw/zinc/45/30/92/304453092.db2.gz ZAUWJULAPDOULS-SFHVURJKSA-N 2 0 330.476 1.827 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000418182092 304460896 /nfs/dbraw/zinc/46/08/96/304460896.db2.gz MDCFEJBLXDJWNO-DOTOQJQBSA-N 2 0 336.480 1.521 20 0 EDADRP COc1cc(C)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000087304375 287318447 /nfs/dbraw/zinc/31/84/47/287318447.db2.gz PBRLSPBPFQPECZ-UHFFFAOYSA-N 2 0 337.464 1.578 20 0 EDADRP C[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCC[NH2+]C1 ZINC000418354489 304484758 /nfs/dbraw/zinc/48/47/58/304484758.db2.gz WKKOYHRPFSWCBC-RYNCQERQSA-N 2 0 334.508 1.827 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000122139147 222023573 /nfs/dbraw/zinc/02/35/73/222023573.db2.gz FIIZKPOYAUGJBB-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000123282271 222249268 /nfs/dbraw/zinc/24/92/68/222249268.db2.gz AUWUSACXYIHERJ-PBHICJAKSA-N 2 0 328.501 1.109 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000418455000 304497101 /nfs/dbraw/zinc/49/71/01/304497101.db2.gz RDCJMXYINUURMF-WMZOPIPTSA-N 2 0 346.475 1.440 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000238070273 273014183 /nfs/dbraw/zinc/01/41/83/273014183.db2.gz QYZWOFRBEVOXSW-KRWDZBQOSA-N 2 0 330.476 1.396 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000248609235 273016415 /nfs/dbraw/zinc/01/64/15/273016415.db2.gz KNXBQEWPGUDJOA-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CC[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]1 ZINC000274628211 268171975 /nfs/dbraw/zinc/17/19/75/268171975.db2.gz QWKJDFGWIATIMZ-LJQANCHMSA-N 3 0 345.491 1.242 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000275443691 268343546 /nfs/dbraw/zinc/34/35/46/268343546.db2.gz FLCFIXRVNYJXBM-UHFFFAOYSA-N 2 0 328.416 1.925 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000277404107 268547722 /nfs/dbraw/zinc/54/77/22/268547722.db2.gz FCADCBABZULJSI-JLJPHGGASA-N 2 0 333.432 1.069 20 0 EDADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000122375758 272925609 /nfs/dbraw/zinc/92/56/09/272925609.db2.gz PRYBIDAKJGHWNZ-HNNXBMFYSA-N 2 0 340.489 1.143 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000162802187 272931380 /nfs/dbraw/zinc/93/13/80/272931380.db2.gz PSEXPWSKFRHHQP-UHFFFAOYSA-N 2 0 348.491 1.733 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(F)cc1F ZINC000277466956 273201498 /nfs/dbraw/zinc/20/14/98/273201498.db2.gz IEDPZJSSCTYTNJ-CQSZACIVSA-N 2 0 340.418 1.848 20 0 EDADRP Cc1ncc(Cl)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000155993350 287667241 /nfs/dbraw/zinc/66/72/41/287667241.db2.gz MLMLTMPKZBCIHZ-UHFFFAOYSA-N 2 0 341.887 1.784 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262140599 276023878 /nfs/dbraw/zinc/02/38/78/276023878.db2.gz LYQFSQUIQNRTRQ-MSOLQXFVSA-N 2 0 332.492 1.609 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](CO)[C@@H]2CCOC2)CC1 ZINC000360771080 276203658 /nfs/dbraw/zinc/20/36/58/276203658.db2.gz HEIRHUXPMHJOCE-RTBURBONSA-N 2 0 347.503 1.563 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCC[C@@H]3C[NH3+])ccc21 ZINC000415443291 276786043 /nfs/dbraw/zinc/78/60/43/276786043.db2.gz HKSVXWMFYRPQAS-XOKHGSTOSA-N 2 0 344.459 1.418 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000076323710 277915694 /nfs/dbraw/zinc/91/56/94/277915694.db2.gz FWFUWYVTKFWOPF-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP CS(=O)(=O)[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000352550124 278116867 /nfs/dbraw/zinc/11/68/67/278116867.db2.gz KJBBBXUMHCYEDP-ARFHVFGLSA-N 2 0 332.510 1.169 20 0 EDADRP CS[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@H]1[NH+]1CCCC1 ZINC000361626665 278148719 /nfs/dbraw/zinc/14/87/19/278148719.db2.gz XZMJZWXUYCISBZ-RBSFLKMASA-N 2 0 343.562 1.462 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000417836034 278222977 /nfs/dbraw/zinc/22/29/77/278222977.db2.gz UNEYHUIQVVVTFN-AWEZNQCLSA-N 2 0 328.420 1.647 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000424045066 278351389 /nfs/dbraw/zinc/35/13/89/278351389.db2.gz STYMWPMLZFXEFO-MSOLQXFVSA-N 2 0 349.519 1.866 20 0 EDADRP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353532214 288038475 /nfs/dbraw/zinc/03/84/75/288038475.db2.gz CBCOLWRATXBKEC-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000286858743 288106003 /nfs/dbraw/zinc/10/60/03/288106003.db2.gz AEZFWEOWSOGHIK-DLBZAZTESA-N 2 0 342.491 1.944 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352661759 279229845 /nfs/dbraw/zinc/22/98/45/279229845.db2.gz UYWDPSHCOHZHAY-OWYHZJEWSA-N 2 0 345.487 1.611 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000341917883 279315783 /nfs/dbraw/zinc/31/57/83/279315783.db2.gz FPUSNUJTALZGSK-ZHALLVOQSA-N 2 0 345.487 1.906 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000354350692 279359698 /nfs/dbraw/zinc/35/96/98/279359698.db2.gz HACWOCSJGLWABA-HOTGVXAUSA-N 2 0 345.553 1.063 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000106524199 279366567 /nfs/dbraw/zinc/36/65/67/279366567.db2.gz RYNHWTZLSVMTIO-GOSISDBHSA-N 2 0 349.523 1.035 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000126883406 279367979 /nfs/dbraw/zinc/36/79/79/279367979.db2.gz VQODVONWIZRTEZ-QZTJIDSGSA-N 2 0 334.508 1.099 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1[NH+](C)C ZINC000271829809 279796024 /nfs/dbraw/zinc/79/60/24/279796024.db2.gz RVKLDLLZAIPXJK-YJBOKZPZSA-N 2 0 345.491 1.890 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000287296334 288203373 /nfs/dbraw/zinc/20/33/73/288203373.db2.gz UDBOEJPQUGMBMV-WBVHZDCISA-N 2 0 346.475 1.721 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000287563978 288266595 /nfs/dbraw/zinc/26/65/95/288266595.db2.gz VGNSRDYGEUJGTI-RYQLBKOJSA-N 2 0 348.491 1.698 20 0 EDADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)c(F)c1 ZINC000290031877 288825201 /nfs/dbraw/zinc/82/52/01/288825201.db2.gz GACKLSUWSCSBLB-MRXNPFEDSA-N 2 0 338.427 1.268 20 0 EDADRP CC[NH+](C)CCNC(=O)c1cc(C)cc(C(=O)NCC[N@@H+](C)CC)c1 ZINC000291955612 289224938 /nfs/dbraw/zinc/22/49/38/289224938.db2.gz OMCODWNBFCEUTD-UHFFFAOYSA-N 2 0 348.491 1.358 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC[NH2+]C1 ZINC000372121853 292726370 /nfs/dbraw/zinc/72/63/70/292726370.db2.gz QOQQPVUHGGFSKS-SJLPKXTDSA-N 2 0 325.497 1.629 20 0 EDADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496478520 289303020 /nfs/dbraw/zinc/30/30/20/289303020.db2.gz YDDZHRPVDNLBIL-RBSFLKMASA-N 2 0 329.485 1.677 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cncnc1 ZINC000292301175 289310767 /nfs/dbraw/zinc/31/07/67/289310767.db2.gz PZGSTWRXFCXOFZ-QGZVFWFLSA-N 2 0 333.480 1.284 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1)N1CC[NH+](C)CC1 ZINC000292363003 289326300 /nfs/dbraw/zinc/32/63/00/289326300.db2.gz YVQGPOOAMVACGY-HOTGVXAUSA-N 2 0 332.492 1.675 20 0 EDADRP CO[C@@](C)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000292397623 289335696 /nfs/dbraw/zinc/33/56/96/289335696.db2.gz RLDOQOXWEDMRMF-LJQANCHMSA-N 2 0 346.475 1.525 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000245641604 290083744 /nfs/dbraw/zinc/08/37/44/290083744.db2.gz YRVOEKHBCZCMJG-RANZSIQMSA-N 2 0 337.508 1.458 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NC(=O)NC1CCCCC1 ZINC000357082507 295497971 /nfs/dbraw/zinc/49/79/71/295497971.db2.gz OMOLRFQIHFXMOX-HNNXBMFYSA-N 2 0 336.480 1.466 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000418686298 297257946 /nfs/dbraw/zinc/25/79/46/297257946.db2.gz ORLUOBBSQGWZFT-LAVFITLUSA-N 2 0 330.476 1.866 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CCCC1 ZINC000418600552 304517075 /nfs/dbraw/zinc/51/70/75/304517075.db2.gz SVDIIOYFCQMTKS-DIWRAAFHSA-N 2 0 334.508 1.957 20 0 EDADRP C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262774926 298021425 /nfs/dbraw/zinc/02/14/25/298021425.db2.gz KRBZEJMGDQVJQB-YXJHDRRASA-N 2 0 346.475 1.169 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC1 ZINC000354895081 298406553 /nfs/dbraw/zinc/40/65/53/298406553.db2.gz OXLUXXGEWRYGDG-GASCZTMLSA-N 2 0 340.512 1.070 20 0 EDADRP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811123 304688368 /nfs/dbraw/zinc/68/83/68/304688368.db2.gz HGBWMYIGRFVFKL-AZUAARDMSA-N 2 0 349.519 1.829 20 0 EDADRP CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000419823584 304690881 /nfs/dbraw/zinc/69/08/81/304690881.db2.gz OURYXQYQKYHHGQ-HKUYNNGSSA-N 2 0 335.492 1.440 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420105875 304737976 /nfs/dbraw/zinc/73/79/76/304737976.db2.gz VHUSWWXZBKTSAX-OAHLLOKOSA-N 2 0 338.496 1.097 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)c1 ZINC000293682210 303002928 /nfs/dbraw/zinc/00/29/28/303002928.db2.gz NGNWELHRHFYWSJ-ZIAGYGMSSA-N 2 0 335.448 1.978 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000294624379 303129800 /nfs/dbraw/zinc/12/98/00/303129800.db2.gz KWWTXEQHARJJGI-VQIMIIECSA-N 2 0 345.487 1.810 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cnn(-c3ccncc3)c2)C1 ZINC000294773953 303145796 /nfs/dbraw/zinc/14/57/96/303145796.db2.gz AEDSOWJSLVLWAB-HNNXBMFYSA-N 2 0 327.432 1.975 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000294902873 303153467 /nfs/dbraw/zinc/15/34/67/303153467.db2.gz FRGNJXBCKQCUBP-PWIZWCRZSA-N 2 0 331.504 1.726 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)CO2 ZINC000296670281 303329999 /nfs/dbraw/zinc/32/99/99/303329999.db2.gz FVEMRXJROAMBGE-WDSOQIARSA-N 2 0 346.471 1.966 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CCOCC1 ZINC000297383601 303392495 /nfs/dbraw/zinc/39/24/95/303392495.db2.gz VYBMDHLIYMKEPD-UHFFFAOYSA-N 2 0 331.420 1.244 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)CO2 ZINC000297608351 303419484 /nfs/dbraw/zinc/41/94/84/303419484.db2.gz IJNHSYINHUTCJQ-INIZCTEOSA-N 2 0 333.476 1.614 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000377743053 447332388 /nfs/dbraw/zinc/33/23/88/447332388.db2.gz LHEHCHVZVLBLHZ-INIZCTEOSA-N 2 0 325.432 1.596 20 0 EDADRP Cc1c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cnn1C ZINC000299454627 303619758 /nfs/dbraw/zinc/61/97/58/303619758.db2.gz ADCLSUQTYNHLGA-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000414875486 447338975 /nfs/dbraw/zinc/33/89/75/447338975.db2.gz BVZFOAIUYUWJAE-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422938193 304880746 /nfs/dbraw/zinc/88/07/46/304880746.db2.gz GVRUISFUJFZUSK-YDHLFZDLSA-N 2 0 325.478 1.586 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423299474 304891574 /nfs/dbraw/zinc/89/15/74/304891574.db2.gz BUOJYYPPLFZEFW-AWEZNQCLSA-N 2 0 333.480 1.727 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423427304 304895827 /nfs/dbraw/zinc/89/58/27/304895827.db2.gz IPFHBZMVASJTGK-HOTGVXAUSA-N 2 0 337.508 1.853 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423755364 304908738 /nfs/dbraw/zinc/90/87/38/304908738.db2.gz HPXZOMVZSKQGJD-HOTGVXAUSA-N 2 0 339.480 1.285 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1F ZINC000423853208 304912444 /nfs/dbraw/zinc/91/24/44/304912444.db2.gz WCYPPXAWOLPUSF-ZDUSSCGKSA-N 2 0 345.422 1.617 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+](CC)CC)C2)c1 ZINC000414896823 447347381 /nfs/dbraw/zinc/34/73/81/447347381.db2.gz ADZIKPMXSZOPOY-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892761 304976221 /nfs/dbraw/zinc/97/62/21/304976221.db2.gz ACAWTAMHXAIVEK-MOPGFXCFSA-N 2 0 348.491 1.609 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000428637463 305013681 /nfs/dbraw/zinc/01/36/81/305013681.db2.gz DFSWJGPYCAADEV-MRXNPFEDSA-N 2 0 333.501 1.965 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006808 305022334 /nfs/dbraw/zinc/02/23/34/305022334.db2.gz NQYOOEDINDSVOT-LJQANCHMSA-N 2 0 329.444 1.830 20 0 EDADRP C[NH2+][C@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430641714 305060751 /nfs/dbraw/zinc/06/07/51/305060751.db2.gz MYXCPBXVNBFLGH-KRWDZBQOSA-N 2 0 348.516 1.468 20 0 EDADRP COCC[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842588 305065726 /nfs/dbraw/zinc/06/57/26/305065726.db2.gz USUXCHLLTZCIGO-MJGOQNOKSA-N 2 0 331.460 1.393 20 0 EDADRP Cc1c(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000430891510 305067062 /nfs/dbraw/zinc/06/70/62/305067062.db2.gz USCBSBUJPNUPMS-INIZCTEOSA-N 2 0 346.479 1.211 20 0 EDADRP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H](C)[NH2+]1 ZINC000430921704 305068364 /nfs/dbraw/zinc/06/83/64/305068364.db2.gz UYYJIXOAWNGSKM-IAGOWNOFSA-N 2 0 344.503 1.581 20 0 EDADRP Cc1cccc(C(=O)NCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433162266 305102118 /nfs/dbraw/zinc/10/21/18/305102118.db2.gz ZLROCHUCJRWWFV-UHFFFAOYSA-N 2 0 346.475 1.044 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433452408 305109465 /nfs/dbraw/zinc/10/94/65/305109465.db2.gz GQJXEYPCRXVHDQ-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(CN(C1CC1)[C@@H]1CC[NH2+]C1)N1CCN(Cc2ccsc2)CC1 ZINC000435236478 305137488 /nfs/dbraw/zinc/13/74/88/305137488.db2.gz SQGOATJKIHOZDZ-QGZVFWFLSA-N 2 0 348.516 1.219 20 0 EDADRP O=C(CN1CCN(Cc2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435236053 305137539 /nfs/dbraw/zinc/13/75/39/305137539.db2.gz HDUORIMJAZVILA-LJQANCHMSA-N 2 0 342.487 1.157 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000435238046 305137702 /nfs/dbraw/zinc/13/77/02/305137702.db2.gz PIMMSOXQILMRQS-LJQANCHMSA-N 2 0 342.487 1.401 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435374165 305139327 /nfs/dbraw/zinc/13/93/27/305139327.db2.gz HNXGHPCADQFDLX-ZBFHGGJFSA-N 2 0 331.460 1.761 20 0 EDADRP CCNC(=O)COc1ccc(C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000435373505 305139372 /nfs/dbraw/zinc/13/93/72/305139372.db2.gz DUNJBKNWPRXLBT-AWEZNQCLSA-N 2 0 349.475 1.769 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000435393065 305139760 /nfs/dbraw/zinc/13/97/60/305139760.db2.gz YPGMFKTVFOBNHN-JYJNAYRXSA-N 2 0 347.459 1.379 20 0 EDADRP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)CC2)n1 ZINC000438828966 305189816 /nfs/dbraw/zinc/18/98/16/305189816.db2.gz IXRXFRZLWDJKKW-PCKAHOCUSA-N 2 0 349.479 1.581 20 0 EDADRP C[NH+](C)[C@H]1CCCN(c2cncc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000439160034 305194760 /nfs/dbraw/zinc/19/47/60/305194760.db2.gz SSSHYBSTFWDMNP-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440981252 305215642 /nfs/dbraw/zinc/21/56/42/305215642.db2.gz KCJAEDKZIYQMMH-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442877395 305230515 /nfs/dbraw/zinc/23/05/15/305230515.db2.gz UAOHFWYBNTYEHA-RISCZKNCSA-N 2 0 347.431 1.173 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067442 305234365 /nfs/dbraw/zinc/23/43/65/305234365.db2.gz GQRQCBYRZOSFSW-OLZOCXBDSA-N 2 0 336.411 1.923 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000448142119 305292742 /nfs/dbraw/zinc/29/27/42/305292742.db2.gz JRCDJMXVABGFTI-MRXNPFEDSA-N 2 0 340.512 1.110 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccsc1 ZINC000449088604 305306322 /nfs/dbraw/zinc/30/63/22/305306322.db2.gz IDRQMXPUJOYPHS-YMAMQOFZSA-N 2 0 325.478 1.754 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449116956 305307130 /nfs/dbraw/zinc/30/71/30/305307130.db2.gz RYKZFKZNJPBNCP-BZUAXINKSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H]1CSC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000449121131 305307255 /nfs/dbraw/zinc/30/72/55/305307255.db2.gz GBWFSGWJYYSYMK-JKSUJKDBSA-N 2 0 335.521 1.720 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000449331499 305311613 /nfs/dbraw/zinc/31/16/13/305311613.db2.gz ZFRHOYAISKLMHK-NCOADZHNSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449527436 305312943 /nfs/dbraw/zinc/31/29/43/305312943.db2.gz IIAKVSJOBDLEGN-FPOVZHCZSA-N 2 0 335.451 1.921 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449711719 305317769 /nfs/dbraw/zinc/31/77/69/305317769.db2.gz PBDLZDAONDULFI-MSOLQXFVSA-N 2 0 331.460 1.393 20 0 EDADRP CCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000451544684 305352692 /nfs/dbraw/zinc/35/26/92/305352692.db2.gz QFNJIPFZAQMMJD-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000451991265 305376812 /nfs/dbraw/zinc/37/68/12/305376812.db2.gz SEJRKGVLUSGSLC-QGZVFWFLSA-N 2 0 335.492 1.432 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349416 305391386 /nfs/dbraw/zinc/39/13/86/305391386.db2.gz MRFBDBHYNQWRLP-RTBURBONSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493089096 305613974 /nfs/dbraw/zinc/61/39/74/305613974.db2.gz IPDPRDCVQJAKOJ-SPFKKIOUSA-N 2 0 331.460 1.548 20 0 EDADRP CC[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1cccc(C)c1 ZINC000514669299 305701442 /nfs/dbraw/zinc/70/14/42/305701442.db2.gz ZXBQTOPFDMHAKD-MSOLQXFVSA-N 2 0 335.492 1.350 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COCc2ccc(OC)cc2)CC1 ZINC000516454119 305736773 /nfs/dbraw/zinc/73/67/73/305736773.db2.gz NTPTXBHPQRZZBK-GOSISDBHSA-N 2 0 336.476 1.894 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)nc2)CC1 ZINC000517747589 305755772 /nfs/dbraw/zinc/75/57/72/305755772.db2.gz YIOBEJROYLGNCQ-GOSISDBHSA-N 2 0 331.464 1.693 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000546148188 306091673 /nfs/dbraw/zinc/09/16/73/306091673.db2.gz URYNXXMXSQEZHL-RBUKOAKNSA-N 2 0 348.535 1.488 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000548102794 306119946 /nfs/dbraw/zinc/11/99/46/306119946.db2.gz FXOVEBFKEHKNAN-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553651427 306187126 /nfs/dbraw/zinc/18/71/26/306187126.db2.gz PWNPCFOZMVJMSE-KSTDHSDQSA-N 2 0 336.480 1.609 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000557151036 306225090 /nfs/dbraw/zinc/22/50/90/306225090.db2.gz CEKFYJLMNOKQNB-KRWDZBQOSA-N 2 0 348.491 1.550 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC(C)(C)[NH2+]1 ZINC000419728604 447377232 /nfs/dbraw/zinc/37/72/32/447377232.db2.gz YLJZQYUHIGASRQ-OAHLLOKOSA-N 2 0 346.475 1.228 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000414981251 447382775 /nfs/dbraw/zinc/38/27/75/447382775.db2.gz WSYFRELBPLZCLC-STQMWFEESA-N 2 0 334.464 1.737 20 0 EDADRP C[NH+](CC1(C[N@@H+](C)[C@@H]2CCCC[C@H]2O)COC1)[C@@H]1CCCC[C@H]1O ZINC000426218729 447401231 /nfs/dbraw/zinc/40/12/31/447401231.db2.gz FTBYTUNQAGTAFS-BRSBDYLESA-N 2 0 340.508 1.474 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415422129 447420735 /nfs/dbraw/zinc/42/07/35/447420735.db2.gz WBICLLMXHAQHTI-AWEZNQCLSA-N 2 0 332.448 1.417 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)ccc1C[NH+](C)C ZINC000415430457 447431912 /nfs/dbraw/zinc/43/19/12/447431912.db2.gz RHORBIBMYSXKHX-INIZCTEOSA-N 2 0 334.464 1.485 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000458637594 447434522 /nfs/dbraw/zinc/43/45/22/447434522.db2.gz GAFSOEYPZSWNRZ-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CN1CC[NH+](CC)CC1)CC(C)C ZINC000073638323 441336486 /nfs/dbraw/zinc/33/64/86/441336486.db2.gz ZDZASNBKAKZPPI-QGZVFWFLSA-N 2 0 326.529 1.497 20 0 EDADRP COC1CC[NH+]([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073648307 441338877 /nfs/dbraw/zinc/33/88/77/441338877.db2.gz VTNGQXPAEUPNPF-FUHWJXTLSA-N 2 0 345.487 1.876 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000083019287 441346503 /nfs/dbraw/zinc/34/65/03/441346503.db2.gz PBPNMWNAPIYXGY-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000073342189 441310819 /nfs/dbraw/zinc/31/08/19/441310819.db2.gz QGKZSGCDXWLJIV-OAHLLOKOSA-N 2 0 329.448 1.491 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107835323 441432071 /nfs/dbraw/zinc/43/20/71/441432071.db2.gz BHHASEOASZGLBU-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000085361765 441433828 /nfs/dbraw/zinc/43/38/28/441433828.db2.gz ZWVARZLUVNXROE-CABCVRRESA-N 2 0 328.501 1.373 20 0 EDADRP COCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052185303 441438339 /nfs/dbraw/zinc/43/83/39/441438339.db2.gz PWFMRUBREJRKDD-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCOCC[NH+](CC)CC ZINC000458654777 447440239 /nfs/dbraw/zinc/44/02/39/447440239.db2.gz JCGTWFJHUREEFT-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP O=C1CNC(=O)N1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000066421525 441529997 /nfs/dbraw/zinc/52/99/97/441529997.db2.gz ATNLNMHIJJMZCV-UHFFFAOYSA-N 2 0 336.480 1.516 20 0 EDADRP O=C1C[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1CCOc1ccccc1 ZINC000090088494 441620032 /nfs/dbraw/zinc/62/00/32/441620032.db2.gz UNRCLGMPXHQHHI-RCCFBDPRSA-N 2 0 343.471 1.883 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000042056645 441700462 /nfs/dbraw/zinc/70/04/62/441700462.db2.gz NLRHMBCLODPSAD-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000137193517 441755252 /nfs/dbraw/zinc/75/52/52/441755252.db2.gz JTZSYPHLVDJIQV-OAHLLOKOSA-N 2 0 337.533 1.854 20 0 EDADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC1=O ZINC000173918997 441862669 /nfs/dbraw/zinc/86/26/69/441862669.db2.gz MYYLSABFCSENQN-HNNXBMFYSA-N 2 0 332.448 1.097 20 0 EDADRP CCC(CC)[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+](C)C ZINC000173924532 441864234 /nfs/dbraw/zinc/86/42/34/441864234.db2.gz BXBRUDPAGKHION-HNNXBMFYSA-N 2 0 338.500 1.933 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118097721 441887817 /nfs/dbraw/zinc/88/78/17/441887817.db2.gz SDXLJSGQGPMWNJ-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP Cc1nccn1CCC[N@@H+](C)[C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000125110761 441985562 /nfs/dbraw/zinc/98/55/62/441985562.db2.gz MGGUKSHDCLBWIM-ZDUSSCGKSA-N 2 0 336.461 1.922 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079460614 442049933 /nfs/dbraw/zinc/04/99/33/442049933.db2.gz YYZHSQGXAGGCTE-HNNXBMFYSA-N 2 0 329.448 1.398 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000176085931 442173406 /nfs/dbraw/zinc/17/34/06/442173406.db2.gz VXKVOWCKIRDQNJ-AWEZNQCLSA-N 2 0 346.475 1.594 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000152384039 442205676 /nfs/dbraw/zinc/20/56/76/442205676.db2.gz HIZZWUXLAXDPHW-IBGZPJMESA-N 2 0 347.503 1.983 20 0 EDADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000128084088 442243410 /nfs/dbraw/zinc/24/34/10/442243410.db2.gz CMHPFSJESFSQOO-ZBFHGGJFSA-N 2 0 347.459 1.696 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000170917098 442288145 /nfs/dbraw/zinc/28/81/45/442288145.db2.gz GXKLOYBGUBESIJ-UHFFFAOYSA-N 2 0 339.505 1.509 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129562678 442323097 /nfs/dbraw/zinc/32/30/97/442323097.db2.gz PRFCKQKUESMOGB-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000171200986 442326872 /nfs/dbraw/zinc/32/68/72/442326872.db2.gz PAOXGVCFMNBTMM-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](Cc2nccn2C)C1)N1CCSCC1 ZINC000153897066 442309576 /nfs/dbraw/zinc/30/95/76/442309576.db2.gz QNRFORVZGSDBAV-CABCVRRESA-N 2 0 336.505 1.639 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000171906270 442389826 /nfs/dbraw/zinc/38/98/26/442389826.db2.gz ZITLTYCMJHTWQT-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000155402974 442395192 /nfs/dbraw/zinc/39/51/92/442395192.db2.gz QOCPQUAVMUSWOD-MRXNPFEDSA-N 2 0 333.480 1.083 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000133388096 442415928 /nfs/dbraw/zinc/41/59/28/442415928.db2.gz ILVSDZLMIONDEJ-QGZVFWFLSA-N 2 0 333.501 1.994 20 0 EDADRP C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000172365691 442450456 /nfs/dbraw/zinc/45/04/56/442450456.db2.gz POQRSTDRGRVPKH-ZACQAIPSSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)C)CC1 ZINC000178873917 442510140 /nfs/dbraw/zinc/51/01/40/442510140.db2.gz YGGVNJRPJKNJRQ-SFHVURJKSA-N 2 0 332.492 1.424 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178873511 442509914 /nfs/dbraw/zinc/50/99/14/442509914.db2.gz SVTJVERRSYTOQT-KRWDZBQOSA-N 2 0 330.476 1.762 20 0 EDADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134868713 442529815 /nfs/dbraw/zinc/52/98/15/442529815.db2.gz DNURLRIQIBBXHM-ZBFHGGJFSA-N 2 0 329.510 1.217 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000186730022 442602096 /nfs/dbraw/zinc/60/20/96/442602096.db2.gz MYFFEEKKDBKIBS-CRAIPNDOSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000186920257 442630028 /nfs/dbraw/zinc/63/00/28/442630028.db2.gz SHWVMWWVJUFRKM-KRWDZBQOSA-N 2 0 340.512 1.663 20 0 EDADRP CCCNC(=O)[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192727968 442680751 /nfs/dbraw/zinc/68/07/51/442680751.db2.gz CNBRHVDACOYSJQ-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccnn1C ZINC000192810645 442688742 /nfs/dbraw/zinc/68/87/42/442688742.db2.gz OQDAKBVYGSTOTG-CQSZACIVSA-N 2 0 329.448 1.562 20 0 EDADRP Cc1ccc(S(=O)(=O)NCCNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000193034566 442707328 /nfs/dbraw/zinc/70/73/28/442707328.db2.gz YNXXZYPNDWAJRB-AGUYFDCRSA-N 2 0 343.518 1.550 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccsc1 ZINC000187907594 442697181 /nfs/dbraw/zinc/69/71/81/442697181.db2.gz MFCXLLFQJDQHAJ-ZNMIVQPWSA-N 2 0 325.478 1.624 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000187963342 442700431 /nfs/dbraw/zinc/70/04/31/442700431.db2.gz GBJZEBGJDNSOEU-JKSUJKDBSA-N 2 0 330.432 1.518 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000193548116 442752618 /nfs/dbraw/zinc/75/26/18/442752618.db2.gz GABDTIWERJCHAB-MJGOQNOKSA-N 2 0 344.503 1.764 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182410399 442764976 /nfs/dbraw/zinc/76/49/76/442764976.db2.gz QKHLWQRTRVZRPT-SJORKVTESA-N 2 0 345.553 1.350 20 0 EDADRP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@@H](C)N1CCOCC1 ZINC000246340235 442773935 /nfs/dbraw/zinc/77/39/35/442773935.db2.gz OIVVZVRDDSMBQS-FPCVCCKLSA-N 2 0 326.485 1.077 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)CC[NH+](C)C)CC2)c1 ZINC000267875641 442775192 /nfs/dbraw/zinc/77/51/92/442775192.db2.gz MHDUXUDZASHQRW-UHFFFAOYSA-N 2 0 332.492 1.527 20 0 EDADRP C([NH+]1CC[C@@]2(CCOC2)C1)C1(C[N@@H+]2CC[C@@]3(CCOC3)C2)COC1 ZINC000248417820 442890019 /nfs/dbraw/zinc/89/00/19/442890019.db2.gz JVOXMVFMBUMKRA-QZTJIDSGSA-N 2 0 336.476 1.228 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@H](CO)C3)CC2)cc1 ZINC000265829035 442937128 /nfs/dbraw/zinc/93/71/28/442937128.db2.gz LYTZZPBYMVQURG-IBGZPJMESA-N 2 0 345.487 1.344 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000194939196 442970276 /nfs/dbraw/zinc/97/02/76/442970276.db2.gz JVFLIQRELSGXLB-IUODEOHRSA-N 2 0 329.366 1.904 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195138608 442988333 /nfs/dbraw/zinc/98/83/33/442988333.db2.gz QYKOGQKMRYXEQQ-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195137230 442988473 /nfs/dbraw/zinc/98/84/73/442988473.db2.gz KAYIFCUCSOTXLH-SFHVURJKSA-N 2 0 348.491 1.699 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000295170160 318634610 /nfs/dbraw/zinc/63/46/10/318634610.db2.gz LIVLYFKFXVXELF-LBPRGKRZSA-N 2 0 334.420 1.483 20 0 EDADRP CN(C(=O)NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268499041 443010712 /nfs/dbraw/zinc/01/07/12/443010712.db2.gz HKMSQIYQSIOHFC-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP COc1cc2c(c(C[NH2+]CCCN(C)CC[NH+](C)C)c1)O[C@@H](C)C2 ZINC000623088034 450398248 /nfs/dbraw/zinc/39/82/48/450398248.db2.gz TWVREKMONUVLKF-HNNXBMFYSA-N 2 0 335.492 1.992 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000266157636 443038828 /nfs/dbraw/zinc/03/88/28/443038828.db2.gz VRYIQWWNYILKEP-UHFFFAOYSA-N 2 0 336.480 1.516 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268751609 443096713 /nfs/dbraw/zinc/09/67/13/443096713.db2.gz JXGUOJQREXBDAY-GJZGRUSLSA-N 2 0 340.489 1.712 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000184962840 443107473 /nfs/dbraw/zinc/10/74/73/443107473.db2.gz MMJBRDLWLHZFJL-MSOLQXFVSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000185075716 443130626 /nfs/dbraw/zinc/13/06/26/443130626.db2.gz BASBZQADDBTRMV-OTWHNJEPSA-N 2 0 342.487 1.243 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000237171225 443161919 /nfs/dbraw/zinc/16/19/19/443161919.db2.gz SWORDEBRKOABTD-UHFFFAOYSA-N 2 0 328.464 1.589 20 0 EDADRP CC(C)C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245483880 443231332 /nfs/dbraw/zinc/23/13/32/443231332.db2.gz GHDZOIQDIZOPIY-ROUUACIJSA-N 2 0 339.524 1.827 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000190971933 443217256 /nfs/dbraw/zinc/21/72/56/443217256.db2.gz YPGHGXJMYLNGPZ-INIZCTEOSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H]1CC(O)C[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000191135072 443247384 /nfs/dbraw/zinc/24/73/84/443247384.db2.gz DOZCPZGKFKSZGM-MPBLMAKGSA-N 2 0 333.476 1.639 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[N@H+](CC)C1 ZINC000413859952 319294868 /nfs/dbraw/zinc/29/48/68/319294868.db2.gz NSKXOZLOSNPVLH-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676411 319340101 /nfs/dbraw/zinc/34/01/01/319340101.db2.gz HRRCPPHMUFFDAF-QGZVFWFLSA-N 2 0 344.503 1.916 20 0 EDADRP COc1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)c(OC)c1 ZINC000414680626 319341104 /nfs/dbraw/zinc/34/11/04/319341104.db2.gz NGDMTPMCASRRQR-CQSZACIVSA-N 2 0 335.448 1.333 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415083684 319345835 /nfs/dbraw/zinc/34/58/35/319345835.db2.gz QITFUTKWAXRTPO-SJLPKXTDSA-N 2 0 344.503 1.833 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415989325 319387893 /nfs/dbraw/zinc/38/78/93/319387893.db2.gz AAHFYWKAZSZLKJ-CYBMUJFWSA-N 2 0 332.370 1.697 20 0 EDADRP COCCOc1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000185877719 443274477 /nfs/dbraw/zinc/27/44/77/443274477.db2.gz DXOXBCFUZMFLGQ-QGZVFWFLSA-N 2 0 335.492 1.827 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264402263 443278243 /nfs/dbraw/zinc/27/82/43/443278243.db2.gz GFPBGYKLUXFSOG-QGZVFWFLSA-N 2 0 344.503 1.648 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269279701 443264308 /nfs/dbraw/zinc/26/43/08/443264308.db2.gz ZYYDXQQUAOIKDM-JFIYKMOQSA-N 2 0 345.487 1.638 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185835447 443267095 /nfs/dbraw/zinc/26/70/95/443267095.db2.gz PBGQIIBMLQJIAA-HOTGVXAUSA-N 2 0 341.544 1.288 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000416807949 319461614 /nfs/dbraw/zinc/46/16/14/319461614.db2.gz HOHMGIZHWUEQFP-HNNXBMFYSA-N 2 0 348.447 1.190 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000416814116 319462761 /nfs/dbraw/zinc/46/27/61/319462761.db2.gz FONHGKUASBSPBA-ROUUACIJSA-N 2 0 346.475 1.869 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416904334 319470285 /nfs/dbraw/zinc/47/02/85/319470285.db2.gz DMEVTEJROMNWNF-WBVHZDCISA-N 2 0 334.464 1.821 20 0 EDADRP COCC1(CNC(=O)NC2CC[NH+](CC(C)C)CC2)CC[NH2+]CC1 ZINC000416941431 319480689 /nfs/dbraw/zinc/48/06/89/319480689.db2.gz QGEALBAJDWRUBN-UHFFFAOYSA-N 2 0 340.512 1.422 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000416950211 319483527 /nfs/dbraw/zinc/48/35/27/319483527.db2.gz HVZRIMZJFSFIFH-HOTGVXAUSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000416952468 319484035 /nfs/dbraw/zinc/48/40/35/319484035.db2.gz UQPRKPINABLDQP-HNNXBMFYSA-N 2 0 348.495 1.150 20 0 EDADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)CC1 ZINC000191444270 443295589 /nfs/dbraw/zinc/29/55/89/443295589.db2.gz QDIHGRIILCYBJD-VZDIDWBNSA-N 2 0 338.492 1.887 20 0 EDADRP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000269590726 443357868 /nfs/dbraw/zinc/35/78/68/443357868.db2.gz MRWRLIOIQSYFLL-WMZOPIPTSA-N 2 0 333.476 1.470 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000264764208 443413312 /nfs/dbraw/zinc/41/33/12/443413312.db2.gz ONFNIIIKDSFOCD-RBUKOAKNSA-N 2 0 344.503 1.261 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](c2ccco2)N(C)C)CC[NH2+]CC1 ZINC000422966395 319742662 /nfs/dbraw/zinc/74/26/62/319742662.db2.gz RHFYYKIPIIXUQO-GJZGRUSLSA-N 2 0 337.464 1.793 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423341603 319765457 /nfs/dbraw/zinc/76/54/57/319765457.db2.gz WPSQMYMZMJPEST-DOMZBBRYSA-N 2 0 347.488 1.971 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000423396847 319770987 /nfs/dbraw/zinc/77/09/87/319770987.db2.gz BKZDUFBPUZFPIO-HOCLYGCPSA-N 2 0 347.459 1.657 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423447088 319776501 /nfs/dbraw/zinc/77/65/01/319776501.db2.gz ZGDYAPLPQINLRS-MLGOLLRUSA-N 2 0 325.478 1.819 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423452993 319777602 /nfs/dbraw/zinc/77/76/02/319777602.db2.gz ZVMCQJWZHYJPPD-RDJZCZTQSA-N 2 0 325.497 1.709 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+](C)CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000272266620 443573690 /nfs/dbraw/zinc/57/36/90/443573690.db2.gz BVOMTJQFTOOIBX-INIZCTEOSA-N 2 0 333.476 1.422 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272282530 443579222 /nfs/dbraw/zinc/57/92/22/443579222.db2.gz BVOQZKGQORUEEP-ZWKOTPCHSA-N 2 0 330.476 1.984 20 0 EDADRP C[C@@H](C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)n1cccn1 ZINC000275721629 443639504 /nfs/dbraw/zinc/63/95/04/443639504.db2.gz ORTNQLNPZGJERD-GJZGRUSLSA-N 2 0 342.447 1.349 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000431022399 319937057 /nfs/dbraw/zinc/93/70/57/319937057.db2.gz CXUBPMIXPKIULU-GOSISDBHSA-N 2 0 338.540 1.624 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3c(c2)NC(=O)CC3)CC1 ZINC000433152784 319972083 /nfs/dbraw/zinc/97/20/83/319972083.db2.gz STWXAKVRCGWZHY-UHFFFAOYSA-N 2 0 330.432 1.713 20 0 EDADRP CCNC(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000286160173 443658681 /nfs/dbraw/zinc/65/86/81/443658681.db2.gz WFOKQSFVHVUSAV-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345410 320093377 /nfs/dbraw/zinc/09/33/77/320093377.db2.gz GSDMBFUOOHTHST-QGZVFWFLSA-N 2 0 336.524 1.536 20 0 EDADRP O=C(N1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449365323 320184836 /nfs/dbraw/zinc/18/48/36/320184836.db2.gz TUAIRUDFDBNAMS-FXAWDEMLSA-N 2 0 343.471 1.098 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000449394208 320187377 /nfs/dbraw/zinc/18/73/77/320187377.db2.gz FKJXHHNXSYSEDY-QGZVFWFLSA-N 2 0 329.448 1.512 20 0 EDADRP CCN1CCO[C@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000452207994 320245529 /nfs/dbraw/zinc/24/55/29/320245529.db2.gz OILVQMOCDORSNW-INIZCTEOSA-N 2 0 348.834 1.863 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491320 320327934 /nfs/dbraw/zinc/32/79/34/320327934.db2.gz NSLUIMOZOIFLLI-KURKYZTESA-N 2 0 328.460 1.606 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CCO1 ZINC000457587394 320329603 /nfs/dbraw/zinc/32/96/03/320329603.db2.gz UGLYRAGXIZKEQY-MRXNPFEDSA-N 2 0 349.519 1.963 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000457713804 320332986 /nfs/dbraw/zinc/33/29/86/320332986.db2.gz QZPOUQJDILNAQJ-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457719301 320333246 /nfs/dbraw/zinc/33/32/46/320333246.db2.gz ZBMFWGFTEYOYRR-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCC[C@H]1C ZINC000457724558 320333558 /nfs/dbraw/zinc/33/35/58/320333558.db2.gz ZANORGKDIKHMFQ-BRWVUGGUSA-N 2 0 340.512 1.395 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458127147 320336554 /nfs/dbraw/zinc/33/65/54/320336554.db2.gz IBRYGBCMSCYFAK-KRWDZBQOSA-N 2 0 340.512 1.254 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000458771559 320340813 /nfs/dbraw/zinc/34/08/13/320340813.db2.gz YPXWUWDNHOTCCD-LBPRGKRZSA-N 2 0 338.418 1.995 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487602353 320356816 /nfs/dbraw/zinc/35/68/16/320356816.db2.gz VITYAUFTTVCYOD-BMFZPTHFSA-N 2 0 326.485 1.004 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+](C)CCCCO)CC2)cc1 ZINC000276329617 443689191 /nfs/dbraw/zinc/68/91/91/443689191.db2.gz FNMIAVMWYRCUBV-UHFFFAOYSA-N 2 0 347.503 1.734 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc2c(c1)OCC(=O)N2 ZINC000286251178 443676306 /nfs/dbraw/zinc/67/63/06/443676306.db2.gz UKJNTCNARFBLJI-GDBMZVCRSA-N 2 0 347.459 1.905 20 0 EDADRP CO[C@H](c1ccccc1F)[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000514855956 320430657 /nfs/dbraw/zinc/43/06/57/320430657.db2.gz IASGCODUDQIVIX-DAYGRLMNSA-N 2 0 339.455 1.100 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000521007245 320481437 /nfs/dbraw/zinc/48/14/37/320481437.db2.gz QPKZXDNQIJAFMH-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2ccno2)CC1 ZINC000534270233 320699023 /nfs/dbraw/zinc/69/90/23/320699023.db2.gz WTELGMYDQUNAMP-UHFFFAOYSA-N 2 0 334.464 1.879 20 0 EDADRP CC[C@H](C)NC(=O)CN1CCN(CCCc2cnccc2C)CC1 ZINC000289033825 444038921 /nfs/dbraw/zinc/03/89/21/444038921.db2.gz HESBNOXOBOOCRM-KRWDZBQOSA-N 2 0 332.492 1.855 20 0 EDADRP Cn1cccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299457375 444051119 /nfs/dbraw/zinc/05/11/19/444051119.db2.gz AWWYOMSZWCBTRL-UHFFFAOYSA-N 2 0 327.432 1.362 20 0 EDADRP CNC(=O)NC(=O)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000299297846 444010251 /nfs/dbraw/zinc/01/02/51/444010251.db2.gz MRVPQAZCXUNQRO-HUUCEWRRSA-N 2 0 346.475 1.578 20 0 EDADRP CCOC(=O)[C@@](C)(O)CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285519747 444014479 /nfs/dbraw/zinc/01/44/79/444014479.db2.gz KFKJDFFVYXMUSZ-VQTJNVASSA-N 2 0 346.471 1.899 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000554583646 320954939 /nfs/dbraw/zinc/95/49/39/320954939.db2.gz JLPLLWHBCZXUPT-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000299574079 444083654 /nfs/dbraw/zinc/08/36/54/444083654.db2.gz QBARFVLPQPLXDW-UHFFFAOYSA-N 2 0 339.443 1.727 20 0 EDADRP COC[C@@H](C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299476869 444057008 /nfs/dbraw/zinc/05/70/08/444057008.db2.gz FRXLAWSJHUJWFP-INIZCTEOSA-N 2 0 349.479 1.175 20 0 EDADRP CN1CCN(C(=O)Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299505723 444065053 /nfs/dbraw/zinc/06/50/53/444065053.db2.gz LGGYLZFKCCAHMJ-KRWDZBQOSA-N 2 0 344.459 1.036 20 0 EDADRP COc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc2c1OCO2 ZINC000558423611 321012409 /nfs/dbraw/zinc/01/24/09/321012409.db2.gz PJARYCBXBICAEF-UHFFFAOYSA-N 2 0 337.464 1.739 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CCSC1 ZINC000561055448 321032094 /nfs/dbraw/zinc/03/20/94/321032094.db2.gz FSRLTSXUZXVPJS-GUYCJALGSA-N 2 0 349.504 1.456 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000562666896 321067741 /nfs/dbraw/zinc/06/77/41/321067741.db2.gz ANCSWIKCPVFHRG-BRWVUGGUSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000562819834 321079053 /nfs/dbraw/zinc/07/90/53/321079053.db2.gz UMAFPZDYZORGLM-BHYGNILZSA-N 2 0 334.439 1.522 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000562986942 321084827 /nfs/dbraw/zinc/08/48/27/321084827.db2.gz DJGXQSQWZPWBHA-INMHGKMJSA-N 2 0 327.513 1.309 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC000562993720 321086612 /nfs/dbraw/zinc/08/66/12/321086612.db2.gz MQVZVDRFXUAZLB-OALUTQOASA-N 2 0 349.519 1.598 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000563711574 321112826 /nfs/dbraw/zinc/11/28/26/321112826.db2.gz AMOSGGADYHQJII-GVDBMIGSSA-N 2 0 327.432 1.153 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC000563972481 321118503 /nfs/dbraw/zinc/11/85/03/321118503.db2.gz VRCLOCJQXXXLSI-QGZVFWFLSA-N 2 0 339.524 1.925 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000564863352 321153055 /nfs/dbraw/zinc/15/30/55/321153055.db2.gz ZCFIFGRGTOOBMN-AQFXKWCLSA-N 2 0 327.513 1.168 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564931449 321158528 /nfs/dbraw/zinc/15/85/28/321158528.db2.gz LXYPLPDWGYEIOI-XOYOTBSWSA-N 2 0 331.460 1.390 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1COCc2ccccc21 ZINC000565411976 321185335 /nfs/dbraw/zinc/18/53/35/321185335.db2.gz WORFXXOKFHWGBR-KRWDZBQOSA-N 2 0 334.464 1.393 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000565470581 321187395 /nfs/dbraw/zinc/18/73/95/321187395.db2.gz UQADSLINCBHRNM-UHFFFAOYSA-N 2 0 349.523 1.154 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000565816439 321202212 /nfs/dbraw/zinc/20/22/12/321202212.db2.gz HMTBTFMJIQDHLC-XLIONFOSSA-N 2 0 339.487 1.986 20 0 EDADRP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000566165902 321220419 /nfs/dbraw/zinc/22/04/19/321220419.db2.gz NEKJRSZTMUWBIB-HKUYNNGSSA-N 2 0 346.519 1.934 20 0 EDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811513 321234208 /nfs/dbraw/zinc/23/42/08/321234208.db2.gz WMFPBOIAVJKBLV-GUYCJALGSA-N 2 0 337.489 1.643 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CC[NH2+]CC1 ZINC000567587479 321247450 /nfs/dbraw/zinc/24/74/50/321247450.db2.gz MGJPUSNGBLZNOQ-BJZITVGISA-N 2 0 337.508 1.757 20 0 EDADRP CCn1ccnc1CN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000567906872 321268216 /nfs/dbraw/zinc/26/82/16/321268216.db2.gz ASYTZCHGKWLVPD-LSDHHAIUSA-N 2 0 333.480 1.501 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H](C)[C@@H]3CO)CC2)CC1 ZINC000568205265 321280820 /nfs/dbraw/zinc/28/08/20/321280820.db2.gz IYWOGRHLFFQNEO-YJBOKZPZSA-N 2 0 337.508 1.412 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000568847656 321308331 /nfs/dbraw/zinc/30/83/31/321308331.db2.gz BLHCXJBEVOQCFW-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000569452788 321325837 /nfs/dbraw/zinc/32/58/37/321325837.db2.gz MTSHXOBREJWHEA-INIZCTEOSA-N 2 0 344.459 1.431 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1COc2ccccc21 ZINC000569519930 321328869 /nfs/dbraw/zinc/32/88/69/321328869.db2.gz IBSSEDCKGHNFOX-OAHLLOKOSA-N 2 0 334.464 1.297 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000569983784 321333397 /nfs/dbraw/zinc/33/33/97/321333397.db2.gz CRCSIISCKXEZAY-UHFFFAOYSA-N 2 0 347.459 1.193 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570800462 321357798 /nfs/dbraw/zinc/35/77/98/321357798.db2.gz PQUQBVKTXBJPLT-SQNIBIBYSA-N 2 0 331.460 1.301 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000285787577 444108042 /nfs/dbraw/zinc/10/80/42/444108042.db2.gz OGNSQHYWPWTXBV-NVXWUHKLSA-N 2 0 347.459 1.724 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000285787584 444108410 /nfs/dbraw/zinc/10/84/10/444108410.db2.gz OGNSQHYWPWTXBV-WBVHZDCISA-N 2 0 347.459 1.724 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000572282435 321424566 /nfs/dbraw/zinc/42/45/66/321424566.db2.gz AMOVMVJZCBIZDU-HOTGVXAUSA-N 2 0 339.528 1.312 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000574023976 321467448 /nfs/dbraw/zinc/46/74/48/321467448.db2.gz GOZTUQQSEBTIES-PKOBYXMFSA-N 2 0 328.460 1.659 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccc(-n2ccnc2)nc1)CC[NH+](C)C ZINC000289534159 444166760 /nfs/dbraw/zinc/16/67/60/444166760.db2.gz WGQIKHCLOLFAII-UHFFFAOYSA-N 2 0 330.480 1.583 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289863466 444212589 /nfs/dbraw/zinc/21/25/89/444212589.db2.gz LEQADVKYIGZKCS-MOPGFXCFSA-N 2 0 344.503 1.576 20 0 EDADRP Cc1cccc2c1[nH+]cc(C)c2N(C)C[C@H](O)C[NH+]1CCN(C)CC1 ZINC000302628150 444218320 /nfs/dbraw/zinc/21/83/20/444218320.db2.gz FWFXXKNWMMWCIP-KRWDZBQOSA-N 2 0 342.487 1.896 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000289928028 444220593 /nfs/dbraw/zinc/22/05/93/444220593.db2.gz OFZOSSFNVZXZGS-KBMXLJTQSA-N 2 0 333.432 1.046 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000286001629 444173590 /nfs/dbraw/zinc/17/35/90/444173590.db2.gz IQYMKJBQHUZKBB-CVEARBPZSA-N 2 0 328.464 1.554 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)[C@@H]2C1 ZINC000286006467 444174767 /nfs/dbraw/zinc/17/47/67/444174767.db2.gz ZHPRIGDMCIYJSS-MOPGFXCFSA-N 2 0 343.471 1.828 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1cccs1 ZINC000575919210 321534310 /nfs/dbraw/zinc/53/43/10/321534310.db2.gz YXUAWZAUISQZPE-GXTWGEPZSA-N 2 0 348.476 1.124 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738520 444196897 /nfs/dbraw/zinc/19/68/97/444196897.db2.gz GZAVFCLIULMSHU-GDBMZVCRSA-N 2 0 335.448 1.294 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000290137271 444247435 /nfs/dbraw/zinc/24/74/35/444247435.db2.gz KJSZMJJPXPEWLD-SJLPKXTDSA-N 2 0 333.476 1.877 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000305706718 444274084 /nfs/dbraw/zinc/27/40/84/444274084.db2.gz WFXAFVBBEHCOFU-GBESFXJTSA-N 2 0 345.487 1.612 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000290207057 444254579 /nfs/dbraw/zinc/25/45/79/444254579.db2.gz RTVGXMQJEZLUFN-OALUTQOASA-N 2 0 344.503 1.703 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccsc1 ZINC000576868536 321602969 /nfs/dbraw/zinc/60/29/69/321602969.db2.gz LDWZOGBDYHOKSQ-HIFRSBDPSA-N 2 0 348.476 1.124 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303032700 444232321 /nfs/dbraw/zinc/23/23/21/444232321.db2.gz XRNDDDIJHOYINR-XDNAFOTISA-N 2 0 337.508 1.817 20 0 EDADRP CC[N@H+](CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680447 444272512 /nfs/dbraw/zinc/27/25/12/444272512.db2.gz MQGANNYXORTSPT-MJGOQNOKSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000303344956 444236825 /nfs/dbraw/zinc/23/68/25/444236825.db2.gz ZPEOVZQYIPJQMX-IAGOWNOFSA-N 2 0 339.524 1.658 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000316213359 444309400 /nfs/dbraw/zinc/30/94/00/444309400.db2.gz SSFRMWYISUNJHB-PMPSAXMXSA-N 2 0 329.510 1.122 20 0 EDADRP CN(Cc1ccccc1F)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000325721221 444368817 /nfs/dbraw/zinc/36/88/17/444368817.db2.gz UGWUEZWZPFCNHP-UHFFFAOYSA-N 2 0 337.439 1.614 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000340256762 444374365 /nfs/dbraw/zinc/37/43/65/444374365.db2.gz QSWLJPVWWDHPIP-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000337831016 444427804 /nfs/dbraw/zinc/42/78/04/444427804.db2.gz ZZNRAZDTGLZDJJ-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C1(C)C[NH2+]C1 ZINC000579964720 321992965 /nfs/dbraw/zinc/99/29/65/321992965.db2.gz RVPGAOJAOZFGRI-UHFFFAOYSA-N 2 0 329.448 1.926 20 0 EDADRP C[C@@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000580049375 322001536 /nfs/dbraw/zinc/00/15/36/322001536.db2.gz MURWYYONKRKYNG-IRWQIABSSA-N 2 0 333.451 1.993 20 0 EDADRP Cc1nc(N2C[C@H]3CC[NH+](C)[C@H]3C2)cc(N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)n1 ZINC000580695617 322082710 /nfs/dbraw/zinc/08/27/10/322082710.db2.gz BUWHSIVVYKTBPB-ZYGGUILKSA-N 2 0 342.491 1.066 20 0 EDADRP O=c1c2c(ncn1CC1CC[NH2+]CC1)CN(Cc1ccccc1)CC2 ZINC000580771354 322093072 /nfs/dbraw/zinc/09/30/72/322093072.db2.gz DAVGABJTJNVCDV-UHFFFAOYSA-N 2 0 338.455 1.801 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000580891524 322109191 /nfs/dbraw/zinc/10/91/91/322109191.db2.gz OJEPVQJNLAJPAM-UHFFFAOYSA-N 2 0 333.480 1.939 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581121668 322138356 /nfs/dbraw/zinc/13/83/56/322138356.db2.gz FDZNUNOJCKFYNP-YQVWRLOYSA-N 2 0 328.460 1.527 20 0 EDADRP [NH3+]C1CCC(OCC(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC1 ZINC000581368004 322169204 /nfs/dbraw/zinc/16/92/04/322169204.db2.gz FZAGICBUGVPZBG-UHFFFAOYSA-N 2 0 338.477 1.835 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)CC[NH2+]C(C)C)CCCC2)CC1 ZINC000581723891 322213716 /nfs/dbraw/zinc/21/37/16/322213716.db2.gz DGXDNPVGOHLKLY-UHFFFAOYSA-N 2 0 325.497 1.914 20 0 EDADRP CN(C)c1ncc(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)n1C ZINC000332839980 444569733 /nfs/dbraw/zinc/56/97/33/444569733.db2.gz IUEBEIDZGOPODX-ZFWWWQNUSA-N 2 0 334.468 1.112 20 0 EDADRP C[C@H]1C[NH+](C)CCN1Cc1ccccc1CN1CC[N@@H+](C)C[C@@H]1C ZINC000343717454 444542820 /nfs/dbraw/zinc/54/28/20/444542820.db2.gz QZURDYDHYUQVMY-ROUUACIJSA-N 2 0 330.520 1.958 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(C)c1OC ZINC000342180972 444551088 /nfs/dbraw/zinc/55/10/88/444551088.db2.gz WFCCKWGXKKUZDV-OAHLLOKOSA-N 2 0 335.492 1.985 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000332937992 444603566 /nfs/dbraw/zinc/60/35/66/444603566.db2.gz DAQKWFBAMBEMOR-GJZGRUSLSA-N 2 0 326.485 1.004 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc2c[nH+]cn2c1 ZINC000333253245 444651551 /nfs/dbraw/zinc/65/15/51/444651551.db2.gz HEWWGBFMLAKWDV-UHFFFAOYSA-N 2 0 327.432 1.281 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000333358951 444660541 /nfs/dbraw/zinc/66/05/41/444660541.db2.gz CONWGXADUCGCLD-GVDBMIGSSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000343968686 444700444 /nfs/dbraw/zinc/70/04/44/444700444.db2.gz NSYFHPOONWHUBF-KRWDZBQOSA-N 2 0 341.540 1.954 20 0 EDADRP CCC(CC)[N@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000344009519 444724577 /nfs/dbraw/zinc/72/45/77/444724577.db2.gz AYSOODBTOQHEMA-QGZVFWFLSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333942914 444725166 /nfs/dbraw/zinc/72/51/66/444725166.db2.gz QKVZIBJTFRXNHM-LSDHHAIUSA-N 2 0 340.537 1.645 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028017 444737932 /nfs/dbraw/zinc/73/79/32/444737932.db2.gz LPRKJXATLRGDKC-QZTJIDSGSA-N 2 0 340.556 1.981 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344034532 444740890 /nfs/dbraw/zinc/74/08/90/444740890.db2.gz RQPABOMMURQQSA-CALCHBBNSA-N 2 0 326.529 1.591 20 0 EDADRP CN1CCO[C@@H](C(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000329870995 444747622 /nfs/dbraw/zinc/74/76/22/444747622.db2.gz AKAIOWWJFZSNLP-MRXNPFEDSA-N 2 0 332.448 1.256 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063322 444759686 /nfs/dbraw/zinc/75/96/86/444759686.db2.gz NKAWEBNFQKEGSY-FGTMMUONSA-N 2 0 340.556 1.885 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+](CC)CC)C[C@H]1CC ZINC000342647899 444795385 /nfs/dbraw/zinc/79/53/85/444795385.db2.gz FHAIDJFDHCFRGE-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000341367920 444798108 /nfs/dbraw/zinc/79/81/08/444798108.db2.gz GGNYPFFDNDGQHU-HOCLYGCPSA-N 2 0 349.479 1.304 20 0 EDADRP C[NH+](C)C(C)(C)CNc1cc(C2CC2)nc(NCC(C)(C)[NH+](C)C)n1 ZINC000341375434 444800890 /nfs/dbraw/zinc/80/08/90/444800890.db2.gz NKSAZZROTISLGH-UHFFFAOYSA-N 2 0 348.539 1.702 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C[N@H+](CC)C2CC2)CC1 ZINC000344154425 444811225 /nfs/dbraw/zinc/81/12/25/444811225.db2.gz WIURTFVLBFMORS-UHFFFAOYSA-N 2 0 325.497 1.820 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342693712 444818644 /nfs/dbraw/zinc/81/86/44/444818644.db2.gz MSBOJHKRMGJOJK-KRWDZBQOSA-N 2 0 347.459 1.569 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342899351 444928900 /nfs/dbraw/zinc/92/89/00/444928900.db2.gz WOIAPLKKYAWDKY-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1nccn1C ZINC000341693334 444952143 /nfs/dbraw/zinc/95/21/43/444952143.db2.gz GOSYSIDILQZHDW-INIZCTEOSA-N 2 0 343.479 1.463 20 0 EDADRP COC1(CC[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC1 ZINC000338969111 444961382 /nfs/dbraw/zinc/96/13/82/444961382.db2.gz OJZLFLUWBBZHTF-SFHVURJKSA-N 2 0 339.524 1.672 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000339068231 445016841 /nfs/dbraw/zinc/01/68/41/445016841.db2.gz NDKDGATYJDTNOQ-AZUAARDMSA-N 3 0 343.519 1.810 20 0 EDADRP C[N@H+](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)[C@H]1CCSC1 ZINC000343105987 445070143 /nfs/dbraw/zinc/07/01/43/445070143.db2.gz XYMWAHKPXDFTPU-GJZGRUSLSA-N 2 0 337.489 1.970 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C2CC2)[C@@]2(CO)CCCO2)CC1 ZINC000339762698 445167312 /nfs/dbraw/zinc/16/73/12/445167312.db2.gz WJUCONIKPMEWQH-OALUTQOASA-N 2 0 339.524 1.312 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342079112 445160626 /nfs/dbraw/zinc/16/06/26/445160626.db2.gz DUORMEWDDIXSDV-IXDOHACOSA-N 2 0 344.459 1.462 20 0 EDADRP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)ccn1 ZINC000345924822 445202047 /nfs/dbraw/zinc/20/20/47/445202047.db2.gz RWWWTQHTNLCLFE-PBHICJAKSA-N 2 0 342.447 1.750 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000346959077 445228980 /nfs/dbraw/zinc/22/89/80/445228980.db2.gz CYLNVILHJQFWNK-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CCC(CC)(C[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(=O)OC ZINC000343541848 445240853 /nfs/dbraw/zinc/24/08/53/445240853.db2.gz LTTNWOJJHMGFRG-UHFFFAOYSA-N 2 0 339.480 1.298 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000348303528 445249092 /nfs/dbraw/zinc/24/90/92/445249092.db2.gz PPMWLIWTWKISSY-MSOLQXFVSA-N 2 0 338.540 1.641 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856227 445251321 /nfs/dbraw/zinc/25/13/21/445251321.db2.gz WDYKZYKVFQCWOC-MAUKXSAKSA-N 2 0 325.460 2.485 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000343583532 445251626 /nfs/dbraw/zinc/25/16/26/445251626.db2.gz NYJAPSPEJONBOT-CQSZACIVSA-N 2 0 343.537 1.429 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@@H+]1C ZINC000343619078 445265993 /nfs/dbraw/zinc/26/59/93/445265993.db2.gz JQPKDBOCBXIIEF-QAPCUYQASA-N 2 0 348.491 1.909 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348112756 445274824 /nfs/dbraw/zinc/27/48/24/445274824.db2.gz RINXJOVEUXJUJE-JHJVBQTASA-N 2 0 337.386 1.273 20 0 EDADRP CCc1[nH]ccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000351965686 445404507 /nfs/dbraw/zinc/40/45/07/445404507.db2.gz VGVCOBOQYVMTEL-UHFFFAOYSA-N 2 0 341.459 1.914 20 0 EDADRP Cc1nc(N[C@@H]2CCC[NH+](C)[C@@H]2C)nc(N[C@H]2CCC[N@H+](C)[C@@H]2C)n1 ZINC000359745768 445404774 /nfs/dbraw/zinc/40/47/74/445404774.db2.gz LPTFZQPSDGHJAO-XOUADPBQSA-N 2 0 347.511 1.969 20 0 EDADRP CCn1nccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348896925 445433530 /nfs/dbraw/zinc/43/35/30/445433530.db2.gz UYVDIXRTWZDENI-UHFFFAOYSA-N 2 0 347.507 1.717 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000352124949 445508627 /nfs/dbraw/zinc/50/86/27/445508627.db2.gz CAENSIZAEVNWLX-HXUWFJFHSA-N 2 0 347.503 1.718 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352208095 445514062 /nfs/dbraw/zinc/51/40/62/445514062.db2.gz IVSHZNFRCDBOEU-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000362723992 445519373 /nfs/dbraw/zinc/51/93/73/445519373.db2.gz OWBOXOIMTMZULA-MAUKXSAKSA-N 2 0 333.476 1.483 20 0 EDADRP C[NH2+][C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cnn(C)c1 ZINC000357238385 445500041 /nfs/dbraw/zinc/50/00/41/445500041.db2.gz GNHMWBWADFHKOQ-WMZOPIPTSA-N 2 0 347.507 1.795 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362796173 445553732 /nfs/dbraw/zinc/55/37/32/445553732.db2.gz SVDMSRYGCIDWMU-XHSDSOJGSA-N 2 0 333.480 1.800 20 0 EDADRP C[C@@H]1CSC[C@H]1NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000357756319 445580193 /nfs/dbraw/zinc/58/01/93/445580193.db2.gz KZUGDKSBJLEZBO-IIAWOOMASA-N 2 0 340.537 1.548 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1nc2ccccc2o1 ZINC000349227780 445540524 /nfs/dbraw/zinc/54/05/24/445540524.db2.gz VGJKWDUXJGECQL-MRXNPFEDSA-N 2 0 346.475 1.869 20 0 EDADRP C[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000356071792 445602179 /nfs/dbraw/zinc/60/21/79/445602179.db2.gz UOYNPIDXHDYHKA-FRQCXROJSA-N 2 0 345.487 1.347 20 0 EDADRP CO[C@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353451944 445607793 /nfs/dbraw/zinc/60/77/93/445607793.db2.gz QBEUTYIVGDXSJZ-IEBWSBKVSA-N 2 0 331.460 1.475 20 0 EDADRP CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000358492904 445622802 /nfs/dbraw/zinc/62/28/02/445622802.db2.gz GVEQFAZLALFUAB-INIZCTEOSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CCC([NH+]3CCCCC3)CC2)C[C@@H](C)O1 ZINC000358514242 445626988 /nfs/dbraw/zinc/62/69/88/445626988.db2.gz MPRGAZOIOLNLCF-ZHALLVOQSA-N 2 0 339.524 1.407 20 0 EDADRP CCNC(=O)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515574 445627880 /nfs/dbraw/zinc/62/78/80/445627880.db2.gz ZHLAVVGKAQFPIH-UHFFFAOYSA-N 2 0 344.459 1.450 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000353501190 445631611 /nfs/dbraw/zinc/63/16/11/445631611.db2.gz LDGAFBMNWPDJDK-SFHVURJKSA-N 2 0 333.480 1.357 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000362886929 445596786 /nfs/dbraw/zinc/59/67/86/445596786.db2.gz ZDISRSQKQIHZAV-KZNAEPCWSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000349787043 445678865 /nfs/dbraw/zinc/67/88/65/445678865.db2.gz ZUUFAURHYGFMEB-CQSZACIVSA-N 2 0 327.494 1.755 20 0 EDADRP CCc1nc([C@H]2CCCN([C@H](C)C(=O)N3CCN(CC)CC3)C2)no1 ZINC000363107247 445680880 /nfs/dbraw/zinc/68/08/80/445680880.db2.gz DQTALJHZFPPYER-CABCVRRESA-N 2 0 349.479 1.364 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000356219487 445681634 /nfs/dbraw/zinc/68/16/34/445681634.db2.gz FFIUYVGQZUFRHY-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356229477 445687245 /nfs/dbraw/zinc/68/72/45/445687245.db2.gz RGKUMMKEWXDTPP-OAHLLOKOSA-N 2 0 333.480 1.725 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363083752 445671507 /nfs/dbraw/zinc/67/15/07/445671507.db2.gz AROYNZYEVYWFML-QZTJIDSGSA-N 2 0 346.475 1.411 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC[NH+](C)CC1 ZINC000360695230 445722852 /nfs/dbraw/zinc/72/28/52/445722852.db2.gz OFJVDZGTFUGCKX-HUUCEWRRSA-N 2 0 340.537 1.549 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363230946 445733210 /nfs/dbraw/zinc/73/32/10/445733210.db2.gz NNFFORBLRSKVOS-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP [NH3+]C[C@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000358738566 445751608 /nfs/dbraw/zinc/75/16/08/445751608.db2.gz BKIWFRKFUOOIMU-KRWDZBQOSA-N 2 0 330.407 1.559 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1ccc(F)cc1 ZINC000358773598 445768290 /nfs/dbraw/zinc/76/82/90/445768290.db2.gz JMTLRLKOGZGPAQ-KRWDZBQOSA-N 2 0 349.450 1.883 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353931359 445816694 /nfs/dbraw/zinc/81/66/94/445816694.db2.gz YPWUSSDYTLPLOF-GDBMZVCRSA-N 2 0 328.526 1.597 20 0 EDADRP CN(C)c1nccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000350559896 445850030 /nfs/dbraw/zinc/85/00/30/445850030.db2.gz SYXWKVRQHFDYPG-UHFFFAOYSA-N 2 0 346.523 1.392 20 0 EDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCCC[NH2+]1 ZINC000390996133 325734275 /nfs/dbraw/zinc/73/42/75/325734275.db2.gz LHDTYSBDJKUGJE-LJQANCHMSA-N 2 0 344.503 1.453 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000361752347 445915622 /nfs/dbraw/zinc/91/56/22/445915622.db2.gz WVYBTOSCGHTQGK-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751824 445916490 /nfs/dbraw/zinc/91/64/90/445916490.db2.gz PTFKLQXERCVFOC-IXDOHACOSA-N 2 0 346.475 1.808 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000359147703 445982203 /nfs/dbraw/zinc/98/22/03/445982203.db2.gz XJTOVVZVSXIMFO-FCEWJHQRSA-N 2 0 345.487 1.395 20 0 EDADRP C[N@H+](CCO[C@H]1CCCCO1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373119429 446041107 /nfs/dbraw/zinc/04/11/07/446041107.db2.gz YQDRUCYJSGNWDF-MSOLQXFVSA-N 2 0 325.497 1.630 20 0 EDADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000583258831 326035808 /nfs/dbraw/zinc/03/58/08/326035808.db2.gz UDWBGDSUYOJXMZ-HSALFYBXSA-N 2 0 332.488 1.948 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1sccc1Cl ZINC000583422533 326069092 /nfs/dbraw/zinc/06/90/92/326069092.db2.gz ZPAQZVCXYQOUBT-UHFFFAOYSA-N 2 0 339.914 1.515 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000584042316 326188257 /nfs/dbraw/zinc/18/82/57/326188257.db2.gz VTLUTGNJYBUUBX-ZWKOTPCHSA-N 2 0 330.476 1.826 20 0 EDADRP CC(C)[C@H](C)NC(=O)C1CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351441016 446065789 /nfs/dbraw/zinc/06/57/89/446065789.db2.gz JMDQFFLBBZKARY-YOEHRIQHSA-N 2 0 325.497 1.314 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000369329760 446077736 /nfs/dbraw/zinc/07/77/36/446077736.db2.gz NPAANBNJBMDYBE-ZWKOTPCHSA-N 2 0 336.524 1.534 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000354348398 446132448 /nfs/dbraw/zinc/13/24/48/446132448.db2.gz NXLGRRCDCBRCDK-DLBZAZTESA-N 2 0 333.480 1.393 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000354354902 446138739 /nfs/dbraw/zinc/13/87/39/446138739.db2.gz ZDZGZOBMVVLLGR-ZJPYXAASSA-N 2 0 339.524 1.827 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258713 446107138 /nfs/dbraw/zinc/10/71/38/446107138.db2.gz HLGVIJXPXVLPTO-BQFCYCMXSA-N 2 0 349.523 1.081 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000359283187 446118633 /nfs/dbraw/zinc/11/86/33/446118633.db2.gz GYNHQNNBMMFCDS-AWEZNQCLSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(C)Cc2cn3c(n2)CCCC3)C[N@@H+]1C1CC1 ZINC000365366278 446170671 /nfs/dbraw/zinc/17/06/71/446170671.db2.gz RGYOSDFJUOPXDF-UONOGXRCSA-N 2 0 331.464 1.986 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000369663082 446142602 /nfs/dbraw/zinc/14/26/02/446142602.db2.gz SKBQJOGPXXZQLV-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000366331359 446157319 /nfs/dbraw/zinc/15/73/19/446157319.db2.gz GVZISPZSMZTIBQ-VQIMIIECSA-N 2 0 349.475 1.857 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCN1CCC[NH+](CC(=O)N2CCCC2)CC1 ZINC000351616780 446210618 /nfs/dbraw/zinc/21/06/18/446210618.db2.gz VRUJIDYHRPNUML-SFHVURJKSA-N 2 0 336.524 1.491 20 0 EDADRP Cc1cc(C[N@@H+](C)C[C@@H]2C[C@@H](F)CN2c2ccnc(N(C)C)n2)on1 ZINC000351622831 446216287 /nfs/dbraw/zinc/21/62/87/446216287.db2.gz SSNSPJVZWNCIMQ-KGLIPLIRSA-N 2 0 348.426 1.888 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000370323243 446230435 /nfs/dbraw/zinc/23/04/35/446230435.db2.gz DGVMIZNLXQRWKI-JFIYKMOQSA-N 2 0 349.523 1.033 20 0 EDADRP [NH3+]CCc1nc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cs1 ZINC000373518199 446246364 /nfs/dbraw/zinc/24/63/64/446246364.db2.gz XRFGHUYCDGPBHK-KGLIPLIRSA-N 2 0 348.447 1.659 20 0 EDADRP C[NH+](C)CCN(C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CCCC1 ZINC000362236132 446278985 /nfs/dbraw/zinc/27/89/85/446278985.db2.gz IXTJLPXTZSKYSO-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000373632113 446286248 /nfs/dbraw/zinc/28/62/48/446286248.db2.gz UHWFCCPZCOGKRL-UHFFFAOYSA-N 2 0 331.464 1.361 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365719445 446313710 /nfs/dbraw/zinc/31/37/10/446313710.db2.gz SCDOOAWFPTTWDR-BQFCYCMXSA-N 2 0 340.508 1.595 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000417337462 446346311 /nfs/dbraw/zinc/34/63/11/446346311.db2.gz WQXHTPSEZLJJQF-QGZVFWFLSA-N 2 0 346.475 1.650 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NCC(=O)OC(C)(C)C)C2)CC1 ZINC000374171246 446355400 /nfs/dbraw/zinc/35/54/00/446355400.db2.gz IZDXYCHLBGHRCA-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000417503085 446355710 /nfs/dbraw/zinc/35/57/10/446355710.db2.gz LLWXBEZEMLUKCR-ZHALLVOQSA-N 2 0 344.503 1.943 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417529687 446362393 /nfs/dbraw/zinc/36/23/93/446362393.db2.gz RDOUYRYQCQSVEX-WMLDXEAASA-N 2 0 334.464 1.301 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918877 446385423 /nfs/dbraw/zinc/38/54/23/446385423.db2.gz PIQWXPADWGCHMT-FUHWJXTLSA-N 2 0 340.512 1.565 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CCC[NH2+]1 ZINC000417929104 446388720 /nfs/dbraw/zinc/38/87/20/446388720.db2.gz NRLIEHKSIXHNNC-WBVHZDCISA-N 2 0 326.485 1.175 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417933931 446390507 /nfs/dbraw/zinc/39/05/07/446390507.db2.gz FBOCBPCRESZKRS-XWTMOSNGSA-N 2 0 328.460 1.968 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370788034 446442877 /nfs/dbraw/zinc/44/28/77/446442877.db2.gz POVWBCQZXXUNAL-IAGOWNOFSA-N 2 0 348.516 1.505 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[C@H]([NH3+])C3)CC2)cc1 ZINC000420274455 446445443 /nfs/dbraw/zinc/44/54/43/446445443.db2.gz OQWCWSVBBWGQAO-IBGZPJMESA-N 2 0 344.503 1.452 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1(C)C ZINC000418180409 446448229 /nfs/dbraw/zinc/44/82/29/446448229.db2.gz YJHWNLYZAJJOER-MRXNPFEDSA-N 2 0 333.480 1.012 20 0 EDADRP CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NC[C@@H]2C[NH2+]CCCO2)n1 ZINC000420285787 446450644 /nfs/dbraw/zinc/45/06/44/446450644.db2.gz ZUHPAVLEQZJOTB-UXLLHSPISA-N 2 0 349.479 1.883 20 0 EDADRP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982343 446407403 /nfs/dbraw/zinc/40/74/03/446407403.db2.gz AABYVMYMKLNHKW-XYJFISCASA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000417987223 446407635 /nfs/dbraw/zinc/40/76/35/446407635.db2.gz OLXFYYIYBVMQIB-JKSUJKDBSA-N 2 0 348.491 1.739 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000420298798 446462039 /nfs/dbraw/zinc/46/20/39/446462039.db2.gz HVHQDOJBFPORBN-MRXNPFEDSA-N 2 0 331.460 1.824 20 0 EDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423243511 446463620 /nfs/dbraw/zinc/46/36/20/446463620.db2.gz GIPXPJWKHNKLKG-UONOGXRCSA-N 2 0 325.478 1.587 20 0 EDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423256943 446467049 /nfs/dbraw/zinc/46/70/49/446467049.db2.gz GTBROWXMEQNOSF-LSDHHAIUSA-N 2 0 339.505 1.977 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306185 446470635 /nfs/dbraw/zinc/47/06/35/446470635.db2.gz AAISTPXVCDOAAL-APWZRJJASA-N 3 0 349.519 1.762 20 0 EDADRP C[C@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1C[NH2+]C1 ZINC000423299479 446478320 /nfs/dbraw/zinc/47/83/20/446478320.db2.gz BVCJBNOVADHXQW-SNVBAGLBSA-N 2 0 326.238 1.975 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423302619 446479820 /nfs/dbraw/zinc/47/98/20/446479820.db2.gz VWVBPJIEJULEIC-WBVHZDCISA-N 2 0 341.459 1.909 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000423323827 446487780 /nfs/dbraw/zinc/48/77/80/446487780.db2.gz OWZFSIXMQWUDIC-MRXNPFEDSA-N 2 0 341.459 1.868 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420323103 446489338 /nfs/dbraw/zinc/48/93/38/446489338.db2.gz FRZYXNKYZYDXHY-BQFCYCMXSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423334022 446493275 /nfs/dbraw/zinc/49/32/75/446493275.db2.gz QGRNUTFDGAZOGW-RBSFLKMASA-N 2 0 333.480 1.727 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000423377424 446508987 /nfs/dbraw/zinc/50/89/87/446508987.db2.gz LPPHJJUXFJWRSO-QZTJIDSGSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000418324017 446498696 /nfs/dbraw/zinc/49/86/96/446498696.db2.gz VJFMJDYKPLQRMR-CQSZACIVSA-N 2 0 326.485 1.135 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418481818 446558871 /nfs/dbraw/zinc/55/88/71/446558871.db2.gz ABNQNTIFSHWSNY-KRWDZBQOSA-N 2 0 340.512 1.504 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533265 446559055 /nfs/dbraw/zinc/55/90/55/446559055.db2.gz QCHKNOJWEVQKCA-GOSISDBHSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386861 446563419 /nfs/dbraw/zinc/56/34/19/446563419.db2.gz JFSIKSHYHILLCE-TWMKSMIVSA-N 2 0 335.492 1.476 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420346157 446519980 /nfs/dbraw/zinc/51/99/80/446519980.db2.gz XNVYKLDJXSUWRS-LSDHHAIUSA-N 2 0 333.501 1.954 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423412082 446523420 /nfs/dbraw/zinc/52/34/20/446523420.db2.gz WCFPRFZWHSSLLR-GJZGRUSLSA-N 2 0 333.480 1.584 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC[NH2+]CC1 ZINC000423411192 446523506 /nfs/dbraw/zinc/52/35/06/446523506.db2.gz TUWJROIQLQQXIU-OAHLLOKOSA-N 2 0 329.448 1.934 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418387226 446524905 /nfs/dbraw/zinc/52/49/05/446524905.db2.gz QWFBANVAHXCUMZ-KZNAEPCWSA-N 2 0 328.460 1.512 20 0 EDADRP C[N@H+](CCC(=O)NC(c1ccccc1)c1ccccc1)C[C@H](O)C[NH3+] ZINC000420349486 446526143 /nfs/dbraw/zinc/52/61/43/446526143.db2.gz DAEXIPGPAVLJTJ-GOSISDBHSA-N 2 0 341.455 1.534 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423428236 446532218 /nfs/dbraw/zinc/53/22/18/446532218.db2.gz OENAXCHGGMSSSN-GJZGRUSLSA-N 2 0 333.480 1.871 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000418417495 446536728 /nfs/dbraw/zinc/53/67/28/446536728.db2.gz WQDPDIDWDNVUMQ-BBWFWOEESA-N 2 0 334.464 1.423 20 0 EDADRP CNC(=O)c1ccc(C)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433150158 446537242 /nfs/dbraw/zinc/53/72/42/446537242.db2.gz VSEMSUDLYYVKRB-UHFFFAOYSA-N 2 0 332.448 1.496 20 0 EDADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000423437926 446537396 /nfs/dbraw/zinc/53/73/96/446537396.db2.gz UPADZKOJVZXJNV-NZSAHSFTSA-N 2 0 327.428 1.544 20 0 EDADRP CCO[C@H]1C[C@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433155357 446538537 /nfs/dbraw/zinc/53/85/37/446538537.db2.gz DTDLGCQUVJFTIV-HOTGVXAUSA-N 2 0 325.497 1.852 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418430980 446540870 /nfs/dbraw/zinc/54/08/70/446540870.db2.gz VRIBGBNSNHTYEN-QZTJIDSGSA-N 2 0 347.507 1.918 20 0 EDADRP CN(C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1Cl)[C@H]1CCCO1 ZINC000453095034 446543247 /nfs/dbraw/zinc/54/32/47/446543247.db2.gz GWDYBSFOZRROIB-DJIMGWMZSA-N 2 0 326.868 1.942 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000453118841 446544720 /nfs/dbraw/zinc/54/47/20/446544720.db2.gz JAEPNBVEAOTNNL-VQIMIIECSA-N 2 0 326.444 1.634 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000367483928 446554285 /nfs/dbraw/zinc/55/42/85/446554285.db2.gz OWRGALQXIDEWHD-FVQBIDKESA-N 2 0 332.448 1.503 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CO2 ZINC000423505229 446557173 /nfs/dbraw/zinc/55/71/73/446557173.db2.gz GSSZIHDQDIUYLC-ADKAHSJRSA-N 2 0 345.487 1.805 20 0 EDADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418504255 446570211 /nfs/dbraw/zinc/57/02/11/446570211.db2.gz ASXHZZRJSFKBRV-IAGOWNOFSA-N 2 0 348.491 1.527 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433463736 446577071 /nfs/dbraw/zinc/57/70/71/446577071.db2.gz AHQWKBFNCCTFGF-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000371020869 446578759 /nfs/dbraw/zinc/57/87/59/446578759.db2.gz WIDLWKLKJONTLD-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420411495 446584534 /nfs/dbraw/zinc/58/45/34/446584534.db2.gz RQSQBNGFWLAJOK-YDHLFZDLSA-N 2 0 332.448 1.889 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418549506 446589895 /nfs/dbraw/zinc/58/98/95/446589895.db2.gz KZYWTWKMGZULIG-RNJTYBCJSA-N 2 0 346.475 1.438 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418561290 446595003 /nfs/dbraw/zinc/59/50/03/446595003.db2.gz YSHKZZBBEAJINL-MRXNPFEDSA-N 2 0 328.460 1.917 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000418674535 446644333 /nfs/dbraw/zinc/64/43/33/446644333.db2.gz OTBBKORAIPTKQW-XYJFISCASA-N 2 0 348.491 1.563 20 0 EDADRP CN1CCN([C@@H]2CCCC[N@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000368107222 446645074 /nfs/dbraw/zinc/64/50/74/446645074.db2.gz DMEISIOJWSQALZ-MRXNPFEDSA-N 2 0 328.464 1.511 20 0 EDADRP C[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000420476602 446648876 /nfs/dbraw/zinc/64/88/76/446648876.db2.gz IPAGQUYVNRTLSP-ZFWWWQNUSA-N 2 0 325.478 1.354 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000420474853 446649222 /nfs/dbraw/zinc/64/92/22/446649222.db2.gz ZCFNZFNEHRCFTJ-UHFFFAOYSA-N 2 0 332.448 1.022 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000423707406 446650103 /nfs/dbraw/zinc/65/01/03/446650103.db2.gz DNQBVNDDLNWEFV-VQIMIIECSA-N 2 0 337.508 1.996 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000418691239 446650483 /nfs/dbraw/zinc/65/04/83/446650483.db2.gz XZCZUJMURPSKDA-OKZBNKHCSA-N 2 0 328.460 1.622 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732030 446666827 /nfs/dbraw/zinc/66/68/27/446666827.db2.gz SESMYCJRGSJGIO-XGUBFFRZSA-N 2 0 325.453 1.131 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418754758 446673688 /nfs/dbraw/zinc/67/36/88/446673688.db2.gz FAZIQDXUZSPCRT-YESZJQIVSA-N 2 0 339.528 1.090 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375257252 446675182 /nfs/dbraw/zinc/67/51/82/446675182.db2.gz XOQOOUGXGQNPOJ-AZUAARDMSA-N 2 0 343.471 1.829 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418643427 446627500 /nfs/dbraw/zinc/62/75/00/446627500.db2.gz UODLPUOYCPCLSY-QAPCUYQASA-N 2 0 330.476 1.857 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@H]1CC12C[NH2+]C2 ZINC000376657353 446632410 /nfs/dbraw/zinc/63/24/10/446632410.db2.gz NCKJJCFWYNNURC-TZMCWYRMSA-N 2 0 329.400 1.143 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000423756321 446685992 /nfs/dbraw/zinc/68/59/92/446685992.db2.gz JLTSUDVGOSGGNY-QGZVFWFLSA-N 2 0 347.459 1.120 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000418779723 446697688 /nfs/dbraw/zinc/69/76/88/446697688.db2.gz BMSUCLMLXUIESW-KBPBESRZSA-N 2 0 333.436 1.049 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418795681 446706952 /nfs/dbraw/zinc/70/69/52/446706952.db2.gz SIDZRRIJOKODIQ-ZHALLVOQSA-N 2 0 346.475 1.050 20 0 EDADRP CC[C@@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423820228 446710271 /nfs/dbraw/zinc/71/02/71/446710271.db2.gz GSFZVQUWFFPGOZ-ZWKOTPCHSA-N 2 0 331.460 1.488 20 0 EDADRP CN(C[C@H]1CCC[NH+]1C)c1cncc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420632772 446712815 /nfs/dbraw/zinc/71/28/15/446712815.db2.gz IBGNIAJBJKGWON-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP Cc1nccn1CCC[N@@H+]1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371251587 446716400 /nfs/dbraw/zinc/71/64/00/446716400.db2.gz NVENMGHMZHQLBB-UHFFFAOYSA-N 2 0 342.447 1.288 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000371266635 446726782 /nfs/dbraw/zinc/72/67/82/446726782.db2.gz OWINUXJFUOTCQA-QGZVFWFLSA-N 2 0 330.476 1.245 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000371272835 446732040 /nfs/dbraw/zinc/73/20/40/446732040.db2.gz HUKXHPCSMQOQJV-KZNAEPCWSA-N 2 0 331.460 1.694 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000368160828 446678288 /nfs/dbraw/zinc/67/82/88/446678288.db2.gz HSSIRGVGVXNCEF-FUHWJXTLSA-N 2 0 328.460 1.262 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)C1 ZINC000418760790 446680405 /nfs/dbraw/zinc/68/04/05/446680405.db2.gz HKHSCDWNWIVPFF-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC[C@@H]21 ZINC000423895650 446750124 /nfs/dbraw/zinc/75/01/24/446750124.db2.gz GCIZDARYDTWHDI-OALUTQOASA-N 2 0 327.472 1.931 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418893903 446779642 /nfs/dbraw/zinc/77/96/42/446779642.db2.gz AMNPFFLBRKSSJL-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000418898948 446781622 /nfs/dbraw/zinc/78/16/22/446781622.db2.gz BFSRGHMAWGWUHQ-HOTGVXAUSA-N 2 0 346.475 1.182 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000423933699 446785714 /nfs/dbraw/zinc/78/57/14/446785714.db2.gz SODSBTMZGNPQAZ-KVSKMBFKSA-N 2 0 347.507 1.794 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000368324936 446787211 /nfs/dbraw/zinc/78/72/11/446787211.db2.gz VVTBQJIEUARBBO-KRWDZBQOSA-N 2 0 338.540 1.449 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000418940168 446813413 /nfs/dbraw/zinc/81/34/13/446813413.db2.gz GNOXUTGOMJNSAI-WBVHZDCISA-N 2 0 348.491 1.113 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000418941026 446814911 /nfs/dbraw/zinc/81/49/11/446814911.db2.gz UPXFPGRRKVZEPU-HNNXBMFYSA-N 2 0 340.512 1.201 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424071752 446840164 /nfs/dbraw/zinc/84/01/64/446840164.db2.gz CBJPEZOIGNCWLQ-OAHLLOKOSA-N 2 0 334.468 1.245 20 0 EDADRP c1nc2cnccn2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371415332 446840598 /nfs/dbraw/zinc/84/05/98/446840598.db2.gz CJUSIEMCBXMTLC-UHFFFAOYSA-N 2 0 329.448 1.664 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419048332 446883558 /nfs/dbraw/zinc/88/35/58/446883558.db2.gz VLGBHTXJECMMOP-VYDXJSESSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188273 446890560 /nfs/dbraw/zinc/89/05/60/446890560.db2.gz VWXIXFKBIAEELD-COXVUDFISA-N 2 0 337.533 1.803 20 0 EDADRP CC[NH+]1CCC(N2CCCN([C@@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977496 446949388 /nfs/dbraw/zinc/94/93/88/446949388.db2.gz IGTMAXSKILAFIK-LJQANCHMSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598674 446971754 /nfs/dbraw/zinc/97/17/54/446971754.db2.gz RAHKPROEQHIWNC-IHEQNBGGSA-N 2 0 349.519 1.772 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000372108821 447006884 /nfs/dbraw/zinc/00/68/84/447006884.db2.gz UFZCQBXKAQHQQT-HUUCEWRRSA-N 2 0 344.459 1.530 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@]1(F)CC[NH2+]C1 ZINC000372116256 447010823 /nfs/dbraw/zinc/01/08/23/447010823.db2.gz NTSKXXHSWAXDOT-PXAZEXFGSA-N 2 0 335.379 1.236 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419229847 447020394 /nfs/dbraw/zinc/02/03/94/447020394.db2.gz IIGZDFIOXYGION-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419158545 446974625 /nfs/dbraw/zinc/97/46/25/446974625.db2.gz WMASRCKTLGCLRI-HOTGVXAUSA-N 2 0 340.512 1.104 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000424995047 446986987 /nfs/dbraw/zinc/98/69/87/446986987.db2.gz ZXCFCATYXRQRLX-INIZCTEOSA-N 2 0 325.497 1.820 20 0 EDADRP O=C1NCCN1CC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377332108 447071021 /nfs/dbraw/zinc/07/10/21/447071021.db2.gz WXBYVIVFQLSJSM-QZTJIDSGSA-N 2 0 328.460 1.466 20 0 EDADRP Cc1ccsc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000444184731 447091802 /nfs/dbraw/zinc/09/18/02/447091802.db2.gz BUDZBXBRZZHBKD-UHFFFAOYSA-N 2 0 345.534 1.703 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000455236207 447093114 /nfs/dbraw/zinc/09/31/14/447093114.db2.gz XYTMVIUVKBNNHQ-QGZVFWFLSA-N 2 0 348.491 1.759 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000375908821 447141653 /nfs/dbraw/zinc/14/16/53/447141653.db2.gz YWDNSCJIZWRIDI-SFHVURJKSA-N 2 0 336.524 1.536 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](NC(C)=O)C2)CC1 ZINC000421383217 447145275 /nfs/dbraw/zinc/14/52/75/447145275.db2.gz CLHDKIFZZWSCMF-SFHVURJKSA-N 2 0 330.476 1.539 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000419410105 447159142 /nfs/dbraw/zinc/15/91/42/447159142.db2.gz AIDYOWGNVKRCNO-VQHPVUNQSA-N 2 0 340.512 1.203 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000425485118 447187922 /nfs/dbraw/zinc/18/79/22/447187922.db2.gz XMRMQOUINCPOJU-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000455654149 447197770 /nfs/dbraw/zinc/19/77/70/447197770.db2.gz DCLWAWSBTYJSKR-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP COCC(C)(C)[NH+]1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000425508018 447201249 /nfs/dbraw/zinc/20/12/49/447201249.db2.gz RHUNPZFSCORUJY-UHFFFAOYSA-N 2 0 340.556 1.445 20 0 EDADRP C[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455670021 447205577 /nfs/dbraw/zinc/20/55/77/447205577.db2.gz OXIGBZHYPUPBTB-HUUCEWRRSA-N 2 0 336.484 1.687 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1)C(C)C ZINC000425453706 447170924 /nfs/dbraw/zinc/17/09/24/447170924.db2.gz ZFDFSFJGQPBRHT-UHFFFAOYSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3(O)CC[NH+](C)CC3)ccc21 ZINC000455899113 447253105 /nfs/dbraw/zinc/25/31/05/447253105.db2.gz FQTJTNNWOKOWJL-QGZVFWFLSA-N 2 0 346.475 1.814 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000376046463 447233439 /nfs/dbraw/zinc/23/34/39/447233439.db2.gz ZKLWXODZKVRLCH-NJAFHUGGSA-N 2 0 333.476 1.719 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C[N@@H+]1CCO ZINC000419528282 447243556 /nfs/dbraw/zinc/24/35/56/447243556.db2.gz WRQJPONPCZDCNA-OWCLPIDISA-N 2 0 340.512 1.203 20 0 EDADRP CC(=O)c1cc(C(=O)N(C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000377639744 447264586 /nfs/dbraw/zinc/26/45/86/447264586.db2.gz KOWSBKHSJBBKFY-KRWDZBQOSA-N 2 0 346.475 1.468 20 0 EDADRP COC(=O)c1cc(CN(C)C2CC[NH+](C3CCOCC3)CC2)cn1C ZINC000377640881 447266122 /nfs/dbraw/zinc/26/61/22/447266122.db2.gz CADLYRMELNRPGD-UHFFFAOYSA-N 2 0 349.475 1.887 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000383346439 447465668 /nfs/dbraw/zinc/46/56/68/447465668.db2.gz MQCSCERAIGNKLR-RTBURBONSA-N 2 0 328.460 1.746 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](OC)C1CC1 ZINC000458845692 447489131 /nfs/dbraw/zinc/48/91/31/447489131.db2.gz DJFQLHPIPSCDPP-IAGOWNOFSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904124 447489381 /nfs/dbraw/zinc/48/93/81/447489381.db2.gz FYRJPYIIOPAUMX-HIFRSBDPSA-N 2 0 344.484 1.895 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419930125 447496592 /nfs/dbraw/zinc/49/65/92/447496592.db2.gz NRFLXFGGMMUOTA-IRXDYDNUSA-N 2 0 346.475 1.135 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656285 447496687 /nfs/dbraw/zinc/49/66/87/447496687.db2.gz WMFCUKWGFMRDLC-PMPSAXMXSA-N 2 0 341.496 1.942 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[N@H+]1CCO ZINC000416246997 447547758 /nfs/dbraw/zinc/54/77/58/447547758.db2.gz OBIWIFRTBNQRDT-JZXOWHBKSA-N 2 0 333.476 1.593 20 0 EDADRP C[C@H](NC(=O)C[C@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000427269609 447571807 /nfs/dbraw/zinc/57/18/07/447571807.db2.gz LQHJBKFDDQIOQD-LSDHHAIUSA-N 2 0 348.466 1.754 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908811 447635438 /nfs/dbraw/zinc/63/54/38/447635438.db2.gz FLHAJTWWIYWEBF-CVEARBPZSA-N 2 0 343.512 1.878 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457857540 447651695 /nfs/dbraw/zinc/65/16/95/447651695.db2.gz MSENPPQAUZGHEK-KRWDZBQOSA-N 2 0 338.496 1.007 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000404200369 447595418 /nfs/dbraw/zinc/59/54/18/447595418.db2.gz JVMIRLWCLNSLFL-SLFFLAALSA-N 2 0 347.503 1.274 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000416825418 447691936 /nfs/dbraw/zinc/69/19/36/447691936.db2.gz AXPUFJYDVWVSOZ-PKOBYXMFSA-N 2 0 332.492 1.848 20 0 EDADRP C[NH+](C)CC1(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CCCC1 ZINC000496065843 447703470 /nfs/dbraw/zinc/70/34/70/447703470.db2.gz YDJVIRGHVJNFJA-QGZVFWFLSA-N 2 0 343.512 1.974 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000459409637 447655951 /nfs/dbraw/zinc/65/59/51/447655951.db2.gz RFFDEDABTFRCAS-UHFFFAOYSA-N 2 0 344.503 1.694 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)[C@H]1SC ZINC000459414975 447658095 /nfs/dbraw/zinc/65/80/95/447658095.db2.gz WJNPBXHFAXXPKQ-MWDXBVQZSA-N 2 0 329.554 1.759 20 0 EDADRP COC(=O)[C@@H](CC(C)C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000451260085 447716197 /nfs/dbraw/zinc/71/61/97/447716197.db2.gz IGMMIHMHQPFDGI-QGZVFWFLSA-N 2 0 327.513 1.922 20 0 EDADRP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451262274 447717440 /nfs/dbraw/zinc/71/74/40/447717440.db2.gz XEKVJBDHAIINOP-KSZLIROESA-N 2 0 333.476 1.498 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716120 447726682 /nfs/dbraw/zinc/72/66/82/447726682.db2.gz MXPLILYBYYLBOI-KFKAGJAMSA-N 3 0 335.492 1.859 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458156971 447730565 /nfs/dbraw/zinc/73/05/65/447730565.db2.gz HSKDNNKPCNYDJW-QGZVFWFLSA-N 2 0 340.512 1.397 20 0 EDADRP COc1ccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCOCC2)cc1 ZINC000422752848 447739460 /nfs/dbraw/zinc/73/94/60/447739460.db2.gz FQEPXUSRDVMXIL-IEBWSBKVSA-N 2 0 333.476 1.800 20 0 EDADRP [NH3+][C@@H]1C[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 ZINC000422784852 447749081 /nfs/dbraw/zinc/74/90/81/447749081.db2.gz MNODKVHEVQZORL-CVEARBPZSA-N 2 0 342.443 1.976 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422838939 447765454 /nfs/dbraw/zinc/76/54/54/447765454.db2.gz YUALRZPEYIRCQX-QUCCMNQESA-N 3 0 330.520 1.782 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1 ZINC000422820896 447759279 /nfs/dbraw/zinc/75/92/79/447759279.db2.gz SVDZHFOVRGXAQG-YJBOKZPZSA-N 2 0 330.476 1.807 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422848118 447768404 /nfs/dbraw/zinc/76/84/04/447768404.db2.gz SLSMVIRPVOIDJJ-QGZVFWFLSA-N 2 0 348.491 1.069 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458337851 447772261 /nfs/dbraw/zinc/77/22/61/447772261.db2.gz REMQSLKPYPFXJR-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)C[C@@H](C)[NH3+])s1 ZINC000422931992 447775376 /nfs/dbraw/zinc/77/53/76/447775376.db2.gz DLFIXPMEIAWBAX-NEPJUHHUSA-N 2 0 333.523 1.994 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422935417 447775624 /nfs/dbraw/zinc/77/56/24/447775624.db2.gz AJPIZJVNGMMXAL-OLZOCXBDSA-N 2 0 327.469 1.201 20 0 EDADRP CC[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422963538 447782288 /nfs/dbraw/zinc/78/22/88/447782288.db2.gz GFNORDDHXXBFIC-AABGKKOBSA-N 2 0 331.504 1.916 20 0 EDADRP C[N@H+](C[C@H](O)CN1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]21)C1CC1 ZINC000496438659 447783208 /nfs/dbraw/zinc/78/32/08/447783208.db2.gz PDQNWUWMCPPRHD-KBMXLJTQSA-N 2 0 339.480 1.383 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cccc(OC)n2)CC[NH2+]CC1 ZINC000423006088 447790698 /nfs/dbraw/zinc/79/06/98/447790698.db2.gz NYHCNIYKVUCLNJ-CQSZACIVSA-N 2 0 335.448 1.544 20 0 EDADRP CCCN(CC(=O)Nc1cccc(C(=O)NCC)c1)C1CC[NH2+]CC1 ZINC000431104384 447791756 /nfs/dbraw/zinc/79/17/56/447791756.db2.gz GDGJXJGWCMXKSH-UHFFFAOYSA-N 2 0 346.475 1.839 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392238 447801351 /nfs/dbraw/zinc/80/13/51/447801351.db2.gz YOJJTYVVXCMOLK-YNEHKIRRSA-N 2 0 335.414 1.963 20 0 EDADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496653349 447841525 /nfs/dbraw/zinc/84/15/25/447841525.db2.gz BWZIMSRKCUTPQM-SUMWQHHRSA-N 2 0 338.452 1.485 20 0 EDADRP O=C(N1CC[C@H]([NH+]2CCCC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815009 447963556 /nfs/dbraw/zinc/96/35/56/447963556.db2.gz GMZPEGXIUYAWNO-ICSRJNTNSA-N 2 0 343.471 1.320 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nnnn2-c2ccccc2)[C@H]2CCC[C@H]21 ZINC000552055506 447931568 /nfs/dbraw/zinc/93/15/68/447931568.db2.gz QVIJGUUPLOWVTO-IXDOHACOSA-N 2 0 326.448 1.667 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000525273949 447986964 /nfs/dbraw/zinc/98/69/64/447986964.db2.gz PDWXMNXTECOPMF-QGZVFWFLSA-N 2 0 347.507 1.968 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000576212358 447999656 /nfs/dbraw/zinc/99/96/56/447999656.db2.gz XZZHUZDJKDPMHA-HOTGVXAUSA-N 2 0 326.485 1.302 20 0 EDADRP CCC(CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N1CCOCC1 ZINC000525670400 448008183 /nfs/dbraw/zinc/00/81/83/448008183.db2.gz JZOQIMUWOIAMLN-WMZOPIPTSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531050775 448009260 /nfs/dbraw/zinc/00/92/60/448009260.db2.gz SOOPJPVDRNRYTG-PXNSSMCTSA-N 2 0 345.487 1.614 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000570721749 448054623 /nfs/dbraw/zinc/05/46/23/448054623.db2.gz CGDVIKPVXPEBDG-IJEWVQPXSA-N 2 0 337.439 1.456 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000571438802 448154714 /nfs/dbraw/zinc/15/47/14/448154714.db2.gz FTPLPSBIDZYUSU-DSLXNQLJSA-N 2 0 345.487 1.780 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000509342505 448149816 /nfs/dbraw/zinc/14/98/16/448149816.db2.gz HSBSWVFLHXHRQR-KURKYZTESA-N 2 0 349.475 1.319 20 0 EDADRP CC(C)C[C@@H](CNC(=O)[C@@H]1CCc2cncn2C1)N1CCOCC1 ZINC000571685300 448190993 /nfs/dbraw/zinc/19/09/93/448190993.db2.gz FRYNPYUFFRHTRP-WBVHZDCISA-N 2 0 334.464 1.309 20 0 EDADRP C[C@@H](O)[C@@H]1CCN(c2cc(N(C)CC3([NH+](C)C)CCC3)ncn2)C1 ZINC000514781187 448202317 /nfs/dbraw/zinc/20/23/17/448202317.db2.gz UKTCFYBIUOCAFS-HUUCEWRRSA-N 2 0 333.480 1.604 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000514803179 448207213 /nfs/dbraw/zinc/20/72/13/448207213.db2.gz PJLDRPBIFXBWCY-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000515234698 448279609 /nfs/dbraw/zinc/27/96/09/448279609.db2.gz MAGOMAPSNYYXCE-PMACEKPBSA-N 2 0 347.503 1.106 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000515347671 448294848 /nfs/dbraw/zinc/29/48/48/448294848.db2.gz GZBJIDIIAMLFSX-QRVBRYPASA-N 2 0 333.476 1.105 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572132763 448297854 /nfs/dbraw/zinc/29/78/54/448297854.db2.gz NOJAEJFXAZGEKL-SFHVURJKSA-N 2 0 333.476 1.593 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccncc2OCCC[NH+](C)C)C1 ZINC000572133633 448298639 /nfs/dbraw/zinc/29/86/39/448298639.db2.gz HXOJHQBPURJBLA-OAHLLOKOSA-N 2 0 334.464 1.370 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000527766984 448356536 /nfs/dbraw/zinc/35/65/36/448356536.db2.gz IPSUXJZHJHHRPB-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000577682867 448357443 /nfs/dbraw/zinc/35/74/43/448357443.db2.gz RGRZYRBLXHKXPL-ARFHVFGLSA-N 2 0 340.512 1.022 20 0 EDADRP CCOc1ccc(/C=C\C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1OCC ZINC000493292874 448383855 /nfs/dbraw/zinc/38/38/55/448383855.db2.gz OVDDNVHOIHHRHK-GQSKFBFOSA-N 2 0 347.459 1.599 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000572640899 448429916 /nfs/dbraw/zinc/42/99/16/448429916.db2.gz JXDILRBZKNVBAL-ROUUACIJSA-N 2 0 345.487 1.893 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000572719280 448447396 /nfs/dbraw/zinc/44/73/96/448447396.db2.gz SBXSAULIZFEXDW-CRAIPNDOSA-N 2 0 330.476 1.986 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578080347 448457346 /nfs/dbraw/zinc/45/73/46/448457346.db2.gz UHASOMPPVGBHFK-TXCZRRACSA-N 2 0 333.863 1.711 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C2)C1 ZINC000566459769 448480427 /nfs/dbraw/zinc/48/04/27/448480427.db2.gz BKBXLOBJPLIPPY-FUHWJXTLSA-N 2 0 337.533 1.758 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000516902406 448491173 /nfs/dbraw/zinc/49/11/73/448491173.db2.gz DZLCVTCLDNBTPC-DZGCQCFKSA-N 2 0 334.489 1.555 20 0 EDADRP NC(=O)CN1CCc2ccc(NC3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000578301229 448508339 /nfs/dbraw/zinc/50/83/39/448508339.db2.gz SAHVIQQIMMTNDH-UHFFFAOYSA-N 2 0 342.487 1.816 20 0 EDADRP [NH3+]C[C@H]1CN(Cc2cccc(C(=O)N3CCCCC3)c2)CCCO1 ZINC000566787571 448558805 /nfs/dbraw/zinc/55/88/05/448558805.db2.gz HFTXOIZKJBNQDR-SFHVURJKSA-N 2 0 331.460 1.862 20 0 EDADRP OCCN1CCCC[C@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000573206475 448568769 /nfs/dbraw/zinc/56/87/69/448568769.db2.gz AYDFNLASTZTIPR-GJZGRUSLSA-N 2 0 326.412 1.002 20 0 EDADRP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000517376085 448578113 /nfs/dbraw/zinc/57/81/13/448578113.db2.gz HIVYKGPSBAXNFS-XHSDSOJGSA-N 2 0 331.464 1.155 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000578546874 448578365 /nfs/dbraw/zinc/57/83/65/448578365.db2.gz RNGVJARXDVGWNZ-HKUYNNGSSA-N 2 0 344.503 1.433 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000537215020 448552201 /nfs/dbraw/zinc/55/22/01/448552201.db2.gz KMWAEXDLLYNVAL-UHFFFAOYSA-N 2 0 332.492 1.458 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000517732645 448610720 /nfs/dbraw/zinc/61/07/20/448610720.db2.gz MMBXHCBHQVSRBD-NUJGCVRESA-N 2 0 327.513 1.168 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000517473830 448584419 /nfs/dbraw/zinc/58/44/19/448584419.db2.gz VIYBJCXLWUXKHE-INIZCTEOSA-N 2 0 330.476 1.686 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495980 448587213 /nfs/dbraw/zinc/58/72/13/448587213.db2.gz XTBNLZWXVPNEPM-ZWKOTPCHSA-N 2 0 339.524 1.578 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000517636748 448600851 /nfs/dbraw/zinc/60/08/51/448600851.db2.gz OKAAJDMJXOJBLJ-UHFFFAOYSA-N 2 0 342.443 1.935 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000573548982 448654348 /nfs/dbraw/zinc/65/43/48/448654348.db2.gz PTRXFYRDBPFHCC-YQVWRLOYSA-N 2 0 346.475 1.500 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](O)COC(C)C)CC1 ZINC000573675981 448686988 /nfs/dbraw/zinc/68/69/88/448686988.db2.gz FSCAFJZGSZHSCR-FQEVSTJZSA-N 2 0 349.519 1.700 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@]3(C)CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000573688506 448690240 /nfs/dbraw/zinc/69/02/40/448690240.db2.gz TVPTVUACHQYRLL-JTDSTZFVSA-N 2 0 337.508 1.866 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000518561258 448692070 /nfs/dbraw/zinc/69/20/70/448692070.db2.gz JNERFCLXNOUPEY-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@H]1c1cnn(C)c1 ZINC000518755594 448705670 /nfs/dbraw/zinc/70/56/70/448705670.db2.gz KKYXEEKWUQBPKW-MSOLQXFVSA-N 2 0 338.415 1.929 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)cn1 ZINC000579085567 448708410 /nfs/dbraw/zinc/70/84/10/448708410.db2.gz XNJCTOHCXQZEPG-UHFFFAOYSA-N 2 0 345.394 1.640 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000579086613 448710405 /nfs/dbraw/zinc/71/04/05/448710405.db2.gz FOPOIZRCDIGKSP-JSGCOSHPSA-N 2 0 342.443 1.012 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)CC2CCCC2)CC1 ZINC000573794474 448713914 /nfs/dbraw/zinc/71/39/14/448713914.db2.gz OPZWRYONDRODFA-SFHVURJKSA-N 2 0 332.492 1.864 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[C@@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000567566295 448714358 /nfs/dbraw/zinc/71/43/58/448714358.db2.gz PVIYTOKAFSUKGH-HNNXBMFYSA-N 2 0 348.495 2.003 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000567592258 448719292 /nfs/dbraw/zinc/71/92/92/448719292.db2.gz UCPAGDTZSLLMNF-OKZBNKHCSA-N 2 0 349.475 1.189 20 0 EDADRP C[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000567364080 448677068 /nfs/dbraw/zinc/67/70/68/448677068.db2.gz AQCGWTXLDGDQGS-INIZCTEOSA-N 2 0 333.476 1.626 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000567611829 448724067 /nfs/dbraw/zinc/72/40/67/448724067.db2.gz OJXQZEJSWHWRPG-GOSISDBHSA-N 2 0 347.459 1.900 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)nc1 ZINC000519407576 448767476 /nfs/dbraw/zinc/76/74/76/448767476.db2.gz PSRNDMJLGJFNIG-IRXDYDNUSA-N 2 0 345.491 1.309 20 0 EDADRP C[C@@H]1C[C@H]([N@H+](C)CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000519162005 448748723 /nfs/dbraw/zinc/74/87/23/448748723.db2.gz WQONOPZGZZFQAQ-UYAOXDASSA-N 2 0 330.520 1.877 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000519271116 448755367 /nfs/dbraw/zinc/75/53/67/448755367.db2.gz VLHLOSXLOKXPRB-MSOLQXFVSA-N 2 0 328.460 1.600 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000529289239 448808837 /nfs/dbraw/zinc/80/88/37/448808837.db2.gz NRQAOTDSCOUHCW-QGZVFWFLSA-N 2 0 343.475 1.630 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000567912512 448781807 /nfs/dbraw/zinc/78/18/07/448781807.db2.gz LDFSPXRZBDTGFG-LJQANCHMSA-N 2 0 345.487 1.689 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccc21 ZINC000579560068 448820381 /nfs/dbraw/zinc/82/03/81/448820381.db2.gz GMPLLTOXBRTIKJ-AEFFLSMTSA-N 2 0 332.448 1.424 20 0 EDADRP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000529333606 448829921 /nfs/dbraw/zinc/82/99/21/448829921.db2.gz QSAKNTMTFDACML-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1CCOC ZINC000529354866 448838686 /nfs/dbraw/zinc/83/86/86/448838686.db2.gz KMDGHKMSGIZKJY-HZPDHXFCSA-N 2 0 338.496 1.413 20 0 EDADRP COc1cc2c(cc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000592463887 448848399 /nfs/dbraw/zinc/84/83/99/448848399.db2.gz JTRWCFQESWVVRR-GJZGRUSLSA-N 2 0 333.476 1.744 20 0 EDADRP Cc1ccccc1-c1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])n(C)n1 ZINC000579688338 448853216 /nfs/dbraw/zinc/85/32/16/448853216.db2.gz NHULUYOXOFJYQJ-AWEZNQCLSA-N 2 0 342.447 1.502 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000574426134 448872414 /nfs/dbraw/zinc/87/24/14/448872414.db2.gz NTHHZLPZMQRYHJ-OAHLLOKOSA-N 2 0 338.402 1.341 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592558579 448900360 /nfs/dbraw/zinc/90/03/60/448900360.db2.gz BYODQBCVPQUGBA-HOCLYGCPSA-N 2 0 339.480 1.251 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCC3CC[NH+](C4CC4)CC3)c21 ZINC000592566704 448903619 /nfs/dbraw/zinc/90/36/19/448903619.db2.gz HCJNXGJJVJYHQQ-CQSZACIVSA-N 2 0 331.464 1.323 20 0 EDADRP COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000520554018 448909131 /nfs/dbraw/zinc/90/91/31/448909131.db2.gz UEOCYXUQXDYUMC-HIFRSBDPSA-N 2 0 325.428 1.093 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000568738661 448912785 /nfs/dbraw/zinc/91/27/85/448912785.db2.gz IWMDQZQQFRKNMF-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000520403934 448892505 /nfs/dbraw/zinc/89/25/05/448892505.db2.gz GLQYEBFKCFJEHD-LAQRGFTBSA-N 2 0 348.491 1.294 20 0 EDADRP O=C([C@@H]1CCCCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000521046514 448950483 /nfs/dbraw/zinc/95/04/83/448950483.db2.gz XKLMAMSKDCNMFU-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000521314947 448970833 /nfs/dbraw/zinc/97/08/33/448970833.db2.gz AFELPLRZLULOCI-AEFFLSMTSA-N 2 0 339.524 1.993 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000574861117 448971518 /nfs/dbraw/zinc/97/15/18/448971518.db2.gz NJIXCBMRQSEQGE-DLBZAZTESA-N 2 0 334.464 1.275 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569337554 449006029 /nfs/dbraw/zinc/00/60/29/449006029.db2.gz GOMUVAVGGXPUBT-OWCLPIDISA-N 2 0 327.517 1.170 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000521643755 449006189 /nfs/dbraw/zinc/00/61/89/449006189.db2.gz NNFMCPWCPSJTTC-QZTJIDSGSA-N 2 0 336.524 1.570 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000569367041 449015652 /nfs/dbraw/zinc/01/56/52/449015652.db2.gz XASGVNMSJXJHQK-MSOLQXFVSA-N 2 0 333.476 1.688 20 0 EDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000582127569 449019046 /nfs/dbraw/zinc/01/90/46/449019046.db2.gz ZOHBTKXIYFJVTD-LPHOPBHVSA-N 2 0 348.491 1.799 20 0 EDADRP COc1ccc2nc(CN3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)sc2c1 ZINC000582133284 449019892 /nfs/dbraw/zinc/01/98/92/449019892.db2.gz QPVDIXZHYJQSGT-CMPLNLGQSA-N 2 0 332.429 1.049 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000582171040 449027646 /nfs/dbraw/zinc/02/76/46/449027646.db2.gz BVXGLRSZZVDOBI-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000521986779 449036060 /nfs/dbraw/zinc/03/60/60/449036060.db2.gz WBYYONTXTJSYGL-PMPSAXMXSA-N 2 0 338.496 1.399 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@@H]1c1nccn1C ZINC000548348702 449028797 /nfs/dbraw/zinc/02/87/97/449028797.db2.gz MAPMBBFMAUWOID-IRXDYDNUSA-N 2 0 338.415 1.929 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CC12CCOCC2 ZINC000582181360 449032249 /nfs/dbraw/zinc/03/22/49/449032249.db2.gz STYAZYXFHYSSEZ-SFHVURJKSA-N 2 0 345.487 1.711 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)C[C@H](C)[N@H+]1C ZINC000521974561 449033349 /nfs/dbraw/zinc/03/33/49/449033349.db2.gz HZIARWHNVIDSET-YVSFHVDLSA-N 2 0 338.496 1.364 20 0 EDADRP C[N@H+](CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C1CCCCC1 ZINC000592958416 449081186 /nfs/dbraw/zinc/08/11/86/449081186.db2.gz YKPVGNZTKNLPCV-CQSZACIVSA-N 2 0 333.480 1.714 20 0 EDADRP C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[NH+]1CCC(C)CC1 ZINC000592958676 449081241 /nfs/dbraw/zinc/08/12/41/449081241.db2.gz ZWTVOIPCQUDDCC-GJZGRUSLSA-N 2 0 333.480 1.569 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)CC1 ZINC000575172899 449053413 /nfs/dbraw/zinc/05/34/13/449053413.db2.gz SNDNNAOHNMKUQP-ZSYWTGECSA-N 2 0 337.508 1.111 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000575179531 449055623 /nfs/dbraw/zinc/05/56/23/449055623.db2.gz XMLYDPUJKSTBPU-UHFFFAOYSA-N 3 0 341.544 1.243 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000569618186 449058148 /nfs/dbraw/zinc/05/81/48/449058148.db2.gz CUIYRADXNQKTFQ-WDEREUQCSA-N 2 0 338.839 1.579 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592964520 449088315 /nfs/dbraw/zinc/08/83/15/449088315.db2.gz LQBDQOSYTBALCD-GJZGRUSLSA-N 2 0 333.480 1.523 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)nc1 ZINC000593737657 449171879 /nfs/dbraw/zinc/17/18/79/449171879.db2.gz SFONIYYUCJLISL-ZOBUZTSGSA-N 2 0 333.432 1.587 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000604631127 449266543 /nfs/dbraw/zinc/26/65/43/449266543.db2.gz IOGWOCWBIWOUPV-HOTGVXAUSA-N 2 0 328.501 1.374 20 0 EDADRP O=C([C@H]1CCc2nc[nH]c2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740250 449403252 /nfs/dbraw/zinc/40/32/52/449403252.db2.gz LGOQBIDZENLNPY-HNNXBMFYSA-N 2 0 346.475 1.618 20 0 EDADRP COc1ccc(NC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000602283951 449490527 /nfs/dbraw/zinc/49/05/27/449490527.db2.gz YAZSHTDEIDKDQU-AWEZNQCLSA-N 2 0 333.436 1.380 20 0 EDADRP CC(C)OC(=O)C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000594583260 449583044 /nfs/dbraw/zinc/58/30/44/449583044.db2.gz GFJAIZZGARNKQN-CABCVRRESA-N 2 0 327.469 1.140 20 0 EDADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C[N@H+](C)C1CCC1 ZINC000600816069 449560721 /nfs/dbraw/zinc/56/07/21/449560721.db2.gz BVAICDADRIHWHH-UHFFFAOYSA-N 2 0 327.469 1.203 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](COC)C2CCOCC2)CC[NH2+]CC1 ZINC000596651373 449587003 /nfs/dbraw/zinc/58/70/03/449587003.db2.gz OXNFQWSWLVEYAM-ZBFHGGJFSA-N 2 0 342.480 1.339 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000607231503 449588221 /nfs/dbraw/zinc/58/82/21/449588221.db2.gz VUIGHPLDTFNYAL-DLBZAZTESA-N 3 0 341.544 1.242 20 0 EDADRP CCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617554886 449685235 /nfs/dbraw/zinc/68/52/35/449685235.db2.gz LVYFIYPSSUKEPD-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617554665 449685645 /nfs/dbraw/zinc/68/56/45/449685645.db2.gz HKAJLEVIMQZGTO-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP CCN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617551369 449682483 /nfs/dbraw/zinc/68/24/83/449682483.db2.gz PZEFUNXPSUFVBK-HOTGVXAUSA-N 2 0 325.522 1.757 20 0 EDADRP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000602657207 449733558 /nfs/dbraw/zinc/73/35/58/449733558.db2.gz YHAGATRAEICUAI-QHCPKHFHSA-N 2 0 338.517 1.890 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@H+](C)C1 ZINC000617556789 449688209 /nfs/dbraw/zinc/68/82/09/449688209.db2.gz XNPBPNVXNSZALM-ZWKOTPCHSA-N 2 0 330.476 1.846 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602593139 449692833 /nfs/dbraw/zinc/69/28/33/449692833.db2.gz LNEYZOVSKZEGMT-UHFFFAOYSA-N 2 0 325.478 1.652 20 0 EDADRP C[NH+]1CCC(CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000617701988 449747151 /nfs/dbraw/zinc/74/71/51/449747151.db2.gz FVYVSYSYYWUHTM-IBGZPJMESA-N 2 0 345.487 1.601 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)CC[N@@H+]1C ZINC000601312934 449822256 /nfs/dbraw/zinc/82/22/56/449822256.db2.gz OBGRMDZYASWPAC-FGTMMUONSA-N 2 0 336.524 1.344 20 0 EDADRP CC(C)[C@H](C(=O)NCCN(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000617767168 449831200 /nfs/dbraw/zinc/83/12/00/449831200.db2.gz JJIOQDZCXOKVEY-QGZVFWFLSA-N 2 0 326.529 1.497 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000612814023 449888686 /nfs/dbraw/zinc/88/86/86/449888686.db2.gz QAZBWFYXFCJKIR-NVXWUHKLSA-N 2 0 329.448 1.540 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000615089358 449950394 /nfs/dbraw/zinc/95/03/94/449950394.db2.gz JBPOCYFPJQYVOZ-GOEBONIOSA-N 2 0 341.521 1.135 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000608675783 449905622 /nfs/dbraw/zinc/90/56/22/449905622.db2.gz VZAYOCHCZCOLLJ-INIZCTEOSA-N 2 0 344.503 1.727 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612992212 449974455 /nfs/dbraw/zinc/97/44/55/449974455.db2.gz BIUXXIRFHWKKMN-OAGGEKHMSA-N 2 0 336.480 1.056 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000610250276 450164770 /nfs/dbraw/zinc/16/47/70/450164770.db2.gz LZUCABGOKSLNSC-QZTJIDSGSA-N 2 0 345.487 1.927 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000603586917 450329573 /nfs/dbraw/zinc/32/95/73/450329573.db2.gz BHPKZZZJHQCYGQ-INIZCTEOSA-N 2 0 345.491 1.782 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)o1 ZINC000620485564 450502518 /nfs/dbraw/zinc/50/25/18/450502518.db2.gz UDKXAXPOJDMWPY-MRXNPFEDSA-N 2 0 349.475 1.793 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000623710067 450569087 /nfs/dbraw/zinc/56/90/87/450569087.db2.gz SNVWMKHZHFXANC-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN(Cc2cc3ccccc3[nH]2)CC1 ZINC000626075828 450569486 /nfs/dbraw/zinc/56/94/86/450569486.db2.gz WFFZCAAWRQZUPX-IBGZPJMESA-N 2 0 344.503 1.987 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000621106013 450581388 /nfs/dbraw/zinc/58/13/88/450581388.db2.gz CDAGOJLWVWZZBZ-GOSISDBHSA-N 2 0 336.524 1.252 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153672 450601950 /nfs/dbraw/zinc/60/19/50/450601950.db2.gz XFEXWDQOYPJPDD-IEBWSBKVSA-N 2 0 331.460 1.080 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000627300645 450631765 /nfs/dbraw/zinc/63/17/65/450631765.db2.gz HXZHHYCYDDOPRU-LSDHHAIUSA-N 2 0 338.496 1.014 20 0 EDADRP CO[C@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000629544883 450729063 /nfs/dbraw/zinc/72/90/63/450729063.db2.gz JXLCWXUCQUDSEY-QGZVFWFLSA-N 2 0 338.496 1.225 20 0 EDADRP O[C@@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560322 450735947 /nfs/dbraw/zinc/73/59/47/450735947.db2.gz QWMFOVBLQSZFAY-UXHICEINSA-N 2 0 331.504 1.597 20 0 EDADRP COc1ccccc1N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629559222 450736639 /nfs/dbraw/zinc/73/66/39/450736639.db2.gz QPITUHCEMBLMST-KRWDZBQOSA-N 2 0 333.476 1.710 20 0 EDADRP O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000629577359 450746185 /nfs/dbraw/zinc/74/61/85/450746185.db2.gz GNVGBQLJJJUJRY-MOPGFXCFSA-N 2 0 345.487 1.266 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@H](O)C[NH+]1CCCC1 ZINC000629584240 450749225 /nfs/dbraw/zinc/74/92/25/450749225.db2.gz MZIFGWQTKSQSOF-PMACEKPBSA-N 2 0 347.503 1.190 20 0 EDADRP CCc1ccc([C@@H](CNc2nc(N)[nH+]c(N)n2)[NH+](CC)CC)cc1 ZINC000624244021 450759376 /nfs/dbraw/zinc/75/93/76/450759376.db2.gz JYOZQTUFJOZZQB-CQSZACIVSA-N 2 0 329.452 1.176 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000629616746 450764023 /nfs/dbraw/zinc/76/40/23/450764023.db2.gz KOMDREIOCNANKX-MRXNPFEDSA-N 2 0 345.409 1.489 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642528 450808406 /nfs/dbraw/zinc/80/84/06/450808406.db2.gz POTTVZTZDYDQAG-IXDOHACOSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](Cc3cccnc3)C1)C2 ZINC000621693084 450836744 /nfs/dbraw/zinc/83/67/44/450836744.db2.gz TZHFBBZVCQYCDD-AOIWGVFYSA-N 2 0 328.460 1.633 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1CCC(F)(F)C1 ZINC000631897265 450856172 /nfs/dbraw/zinc/85/61/72/450856172.db2.gz FZCJGGRAHJIRBX-CYBMUJFWSA-N 2 0 341.468 1.177 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000631910378 450869302 /nfs/dbraw/zinc/86/93/02/450869302.db2.gz DCGIQQWOTMVVTK-BSDSXHPESA-N 2 0 337.508 1.601 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635412157 450918287 /nfs/dbraw/zinc/91/82/87/450918287.db2.gz ZYGMFUPUCYWHRR-MRXNPFEDSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631965010 450923068 /nfs/dbraw/zinc/92/30/68/450923068.db2.gz QTQOVQDEKBVGAY-IAGOWNOFSA-N 2 0 345.553 1.854 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000631930831 450889314 /nfs/dbraw/zinc/88/93/14/450889314.db2.gz AFCNGIOJKKAIFQ-UHFFFAOYSA-N 2 0 329.510 1.268 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000635472752 450971931 /nfs/dbraw/zinc/97/19/31/450971931.db2.gz PYRUQQHIDKBUSB-BZSNNMDCSA-N 2 0 336.524 1.488 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)[NH+]1CCOCC1 ZINC000626929014 451012970 /nfs/dbraw/zinc/01/29/70/451012970.db2.gz GPAYDPBPUQIAAQ-GVDBMIGSSA-N 2 0 340.512 1.563 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626948199 451027848 /nfs/dbraw/zinc/02/78/48/451027848.db2.gz OXNJNFUFZPIZTD-QLFBSQMISA-N 2 0 326.485 1.160 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000626954781 451032348 /nfs/dbraw/zinc/03/23/48/451032348.db2.gz LPRUVBRMFUSHLF-GOSISDBHSA-N 2 0 348.491 1.706 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[NH+](C)C ZINC000635584626 451083574 /nfs/dbraw/zinc/08/35/74/451083574.db2.gz ORIQJAFBWDVQAE-CQSZACIVSA-N 2 0 337.439 1.735 20 0 EDADRP [NH3+]CC1(NC(=O)NCCCCC[NH+]2CCCCC2)CCOCC1 ZINC000626983030 451051071 /nfs/dbraw/zinc/05/10/71/451051071.db2.gz ZNIWIIJEPYMOKH-UHFFFAOYSA-N 2 0 326.485 1.450 20 0 EDADRP COc1ccc(CN2CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000635633928 451123789 /nfs/dbraw/zinc/12/37/89/451123789.db2.gz NQSJDTWSEKDGRM-ZIFCJYIRSA-N 2 0 343.471 1.965 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627111225 451128598 /nfs/dbraw/zinc/12/85/98/451128598.db2.gz OVQPIQWWZRXQGS-NDBYEHHHSA-N 2 0 336.402 1.495 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000627115276 451131315 /nfs/dbraw/zinc/13/13/15/451131315.db2.gz SLBMSUQOZWJRQO-DHXZDTOLSA-N 2 0 346.475 1.580 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[C@H]1C(F)(F)F ZINC000627126322 451139936 /nfs/dbraw/zinc/13/99/36/451139936.db2.gz DLDZROPVZAXOSQ-UTUOFQBUSA-N 2 0 334.386 1.440 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627202821 451185134 /nfs/dbraw/zinc/18/51/34/451185134.db2.gz KFPADHSLTQITDU-KGLIPLIRSA-N 2 0 333.436 1.062 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)C23CCC[NH+](CCC2)C3)ccn1 ZINC000635746305 451215112 /nfs/dbraw/zinc/21/51/12/451215112.db2.gz DANGZPBHOOONDG-UHFFFAOYSA-N 2 0 346.475 1.514 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634193158 451228360 /nfs/dbraw/zinc/22/83/60/451228360.db2.gz DVVXFUUXYGKAKN-AWEZNQCLSA-N 2 0 333.480 1.939 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000635784618 451237610 /nfs/dbraw/zinc/23/76/10/451237610.db2.gz GLIHWDYFRMDBCO-OALUTQOASA-N 2 0 345.487 1.744 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000635787688 451240006 /nfs/dbraw/zinc/24/00/06/451240006.db2.gz YDGMEZDCZIETJY-QAPCUYQASA-N 2 0 331.460 1.211 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085521 451249701 /nfs/dbraw/zinc/24/97/01/451249701.db2.gz MEVRWJHNXTYNPW-QUCCMNQESA-N 2 0 345.487 1.423 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000638085828 451251543 /nfs/dbraw/zinc/25/15/43/451251543.db2.gz NFWQCOFAVNCXIL-KRWDZBQOSA-N 2 0 348.491 1.358 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638099532 451264746 /nfs/dbraw/zinc/26/47/46/451264746.db2.gz HESJAYSZGHPFNT-ICSRJNTNSA-N 2 0 345.487 1.876 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000630590975 451265706 /nfs/dbraw/zinc/26/57/06/451265706.db2.gz AHSVTWHQFWHVGE-SFHVURJKSA-N 2 0 341.459 1.449 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638103068 451270832 /nfs/dbraw/zinc/27/08/32/451270832.db2.gz YZCIZHDIGLDKBW-MOPGFXCFSA-N 2 0 344.503 1.533 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)CN2CC[NH2+]CC2)CCCC1)c1ccccc1 ZINC000638112134 451279353 /nfs/dbraw/zinc/27/93/53/451279353.db2.gz QULJHOWOESTDOG-QGZVFWFLSA-N 2 0 344.503 1.671 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638111933 451279932 /nfs/dbraw/zinc/27/99/32/451279932.db2.gz HGKQMTZNTWKDDO-VQIMIIECSA-N 2 0 333.476 1.782 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000638137386 451310237 /nfs/dbraw/zinc/31/02/37/451310237.db2.gz JQMWTPOMPBVORZ-PKOBYXMFSA-N 2 0 346.475 1.140 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638139567 451314943 /nfs/dbraw/zinc/31/49/43/451314943.db2.gz MDSQABCNXZUWQN-HNNXBMFYSA-N 2 0 344.459 1.823 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000638168939 451333961 /nfs/dbraw/zinc/33/39/61/451333961.db2.gz DJQHAJPSAXVJFM-GOSISDBHSA-N 2 0 327.428 1.553 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@H]1C ZINC000638203101 451353457 /nfs/dbraw/zinc/35/34/57/451353457.db2.gz DHWCSUYLMHXMDK-STQMWFEESA-N 2 0 345.447 1.126 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000638223318 451366312 /nfs/dbraw/zinc/36/63/12/451366312.db2.gz JPPMSNMSSVKQIJ-MRXNPFEDSA-N 2 0 343.402 1.989 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238655 451373703 /nfs/dbraw/zinc/37/37/03/451373703.db2.gz BVUBYIFOKAWTSZ-MOPGFXCFSA-N 2 0 344.503 1.294 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000638245682 451378993 /nfs/dbraw/zinc/37/89/93/451378993.db2.gz WWZYIDCJESIFTM-STQMWFEESA-N 2 0 327.350 1.964 20 0 EDADRP CO[C@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000638290788 451407996 /nfs/dbraw/zinc/40/79/96/451407996.db2.gz JOUQQUUNICVFGC-VQTJNVASSA-N 2 0 347.503 1.445 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000640564969 451409936 /nfs/dbraw/zinc/40/99/36/451409936.db2.gz VDIPDLOYLBZTCF-UHFFFAOYSA-N 2 0 347.463 1.472 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630811344 451415580 /nfs/dbraw/zinc/41/55/80/451415580.db2.gz KFDIIXAYLKFOOR-HNNXBMFYSA-N 2 0 335.496 1.685 20 0 EDADRP CO[C@@]1(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCOC1 ZINC000638355639 451457720 /nfs/dbraw/zinc/45/77/20/451457720.db2.gz OZWNQSVIBFQZJG-VQTJNVASSA-N 2 0 347.503 1.760 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370630 451468777 /nfs/dbraw/zinc/46/87/77/451468777.db2.gz MCOUTOKNKKXXQG-OKILXGFUSA-N 2 0 343.493 1.775 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000638401674 451490517 /nfs/dbraw/zinc/49/05/17/451490517.db2.gz VUOSCIMTTAALOX-INIZCTEOSA-N 2 0 333.480 1.297 20 0 EDADRP CC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H](O)C(F)F ZINC000634722570 451503110 /nfs/dbraw/zinc/50/31/10/451503110.db2.gz RDIKJPLLCWDRHU-ZOBUZTSGSA-N 2 0 328.403 1.618 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1(C)C ZINC000636102045 451515830 /nfs/dbraw/zinc/51/58/30/451515830.db2.gz VFLHGQNNQQGVNJ-CVEARBPZSA-N 2 0 345.491 1.292 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634741735 451519693 /nfs/dbraw/zinc/51/96/93/451519693.db2.gz NAIMIWCABZCYBA-QNDJGXFYSA-N 2 0 331.460 1.377 20 0 EDADRP CC[N@@H+]1CCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638450554 451521771 /nfs/dbraw/zinc/52/17/71/451521771.db2.gz GLFNYCXVUKHLGZ-CQSZACIVSA-N 2 0 331.526 1.558 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638511475 451553107 /nfs/dbraw/zinc/55/31/07/451553107.db2.gz AMAZPUZEMJFABE-OKZBNKHCSA-N 2 0 331.460 1.472 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000629167770 451575471 /nfs/dbraw/zinc/57/54/71/451575471.db2.gz SLEZYPFMPAPCQH-GOSISDBHSA-N 2 0 331.460 1.469 20 0 EDADRP CO[C@@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000638587166 451591512 /nfs/dbraw/zinc/59/15/12/451591512.db2.gz BFAGJFUTHJJWIS-AEFFLSMTSA-N 2 0 325.497 1.186 20 0 EDADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638633636 451622859 /nfs/dbraw/zinc/62/28/59/451622859.db2.gz CIMYBGAXWVGPLD-QGZVFWFLSA-N 2 0 331.460 1.523 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638653528 451632738 /nfs/dbraw/zinc/63/27/38/451632738.db2.gz LITZYJJDFXJFFI-RDJZCZTQSA-N 2 0 339.528 1.314 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC3(CCSCC3)CC2)C1 ZINC000634998560 451641196 /nfs/dbraw/zinc/64/11/96/451641196.db2.gz HJAUEDMFXSSOQT-OAHLLOKOSA-N 2 0 325.522 1.793 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCOC1 ZINC000638748401 451674720 /nfs/dbraw/zinc/67/47/20/451674720.db2.gz HYBGLOHKIBPXRG-NRSFXHEJSA-N 2 0 326.481 1.395 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956026 451667925 /nfs/dbraw/zinc/66/79/25/451667925.db2.gz SQSQRBCUNIJREJ-ZIAGYGMSSA-N 2 0 344.381 1.758 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000638729553 451668829 /nfs/dbraw/zinc/66/88/29/451668829.db2.gz QWOJWRIODMOOFG-JKSUJKDBSA-N 2 0 325.497 1.709 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@]1(C)C[NH3+] ZINC000632961275 451670617 /nfs/dbraw/zinc/67/06/17/451670617.db2.gz QKSZHISHQLEDQZ-CXAGYDPISA-N 2 0 334.468 1.598 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139399 451739242 /nfs/dbraw/zinc/73/92/42/451739242.db2.gz JYQAULOTGBSQBQ-KKUMJFAQSA-N 2 0 338.452 1.075 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)c3cc([C@H]4CC[NH2+]C4)[nH]n3)cn2)CC1 ZINC000638977566 451744545 /nfs/dbraw/zinc/74/45/45/451744545.db2.gz MJBFHBDFMYADRC-LBPRGKRZSA-N 2 0 343.435 1.202 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000641090297 451747249 /nfs/dbraw/zinc/74/72/49/451747249.db2.gz GNICNMYKZZIWKN-IRXDYDNUSA-N 3 0 339.528 1.186 20 0 EDADRP C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]([NH3+])c1ccccc1 ZINC000638987095 451747336 /nfs/dbraw/zinc/74/73/36/451747336.db2.gz KUFHGTIANRLRQS-KSSFIOAISA-N 3 0 339.443 1.766 20 0 EDADRP COc1ccccc1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986886 451747499 /nfs/dbraw/zinc/74/74/99/451747499.db2.gz GQDLXJWXAWUVDN-UHFFFAOYSA-N 2 0 326.400 1.681 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc21 ZINC000639068730 451760903 /nfs/dbraw/zinc/76/09/03/451760903.db2.gz IMWSLGZJIIEMFE-CYBMUJFWSA-N 2 0 340.431 1.295 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639257341 451799329 /nfs/dbraw/zinc/79/93/29/451799329.db2.gz MJCLDNHMLPOKTQ-AWEZNQCLSA-N 2 0 331.526 1.558 20 0 EDADRP CO[C@H](CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C1CCOCC1 ZINC000639381365 451859032 /nfs/dbraw/zinc/85/90/32/451859032.db2.gz BNYTWSWYMNYOFN-QGZVFWFLSA-N 2 0 334.464 1.687 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653348824 451859625 /nfs/dbraw/zinc/85/96/25/451859625.db2.gz TYRAZIRCBDYUFR-BSDSXHPESA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H](C)C1 ZINC000637469964 451887318 /nfs/dbraw/zinc/88/73/18/451887318.db2.gz GVPUDHRIPVCXAP-ZOBUZTSGSA-N 2 0 338.496 1.100 20 0 EDADRP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000637470195 451887534 /nfs/dbraw/zinc/88/75/34/451887534.db2.gz JTQPTQNPPJRISP-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642750479 451949627 /nfs/dbraw/zinc/94/96/27/451949627.db2.gz BQOXPJVAXITQAZ-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP CC(C)(CNC(=O)[C@H]1C[NH2+]CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000649292558 451967489 /nfs/dbraw/zinc/96/74/89/451967489.db2.gz PDSRXPPYYSZICS-KRWDZBQOSA-N 2 0 331.460 1.176 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000649299466 451976311 /nfs/dbraw/zinc/97/63/11/451976311.db2.gz XPWMCNHOQKRRJR-GJZGRUSLSA-N 2 0 325.522 1.839 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@]3(N)CC[N@H+](C)C3)c2)CC1 ZINC000649310813 451988238 /nfs/dbraw/zinc/98/82/38/451988238.db2.gz DNAMVSMIHNAKCU-HXUWFJFHSA-N 2 0 344.503 1.568 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cnn1C ZINC000649322307 452001330 /nfs/dbraw/zinc/00/13/30/452001330.db2.gz LZXPVVPELIXRSY-JQHSSLGASA-N 2 0 345.491 1.118 20 0 EDADRP CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000637669890 452011209 /nfs/dbraw/zinc/01/12/09/452011209.db2.gz SKLOFVIYRZUPJS-QGZVFWFLSA-N 2 0 346.479 1.850 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCOCC1 ZINC000649332259 452012581 /nfs/dbraw/zinc/01/25/81/452012581.db2.gz KVIJNXDAWICKDF-CQSZACIVSA-N 2 0 325.840 1.567 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1=O ZINC000639683245 452020935 /nfs/dbraw/zinc/02/09/35/452020935.db2.gz UCVABOYGABLCDJ-UHFFFAOYSA-N 2 0 345.447 1.314 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000643043305 452024690 /nfs/dbraw/zinc/02/46/90/452024690.db2.gz AEFMXIVQZLCCMI-UONOGXRCSA-N 2 0 327.436 1.461 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649345838 452028318 /nfs/dbraw/zinc/02/83/18/452028318.db2.gz PEILSTBJEYKELR-HNNXBMFYSA-N 2 0 347.459 1.724 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2O1 ZINC000649347256 452030078 /nfs/dbraw/zinc/03/00/78/452030078.db2.gz MTYXXSPYUNEGAW-OLZOCXBDSA-N 2 0 339.386 1.587 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649349353 452032381 /nfs/dbraw/zinc/03/23/81/452032381.db2.gz CLTMRAYDUFMIIA-OAHLLOKOSA-N 2 0 332.448 1.003 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]3C[NH3+])cn2)CC1 ZINC000649350267 452032636 /nfs/dbraw/zinc/03/26/36/452032636.db2.gz XDORWSBBCHMFDL-IRXDYDNUSA-N 2 0 345.491 1.215 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649350178 452033900 /nfs/dbraw/zinc/03/39/00/452033900.db2.gz MNDMBUBOPYKCPG-HNNXBMFYSA-N 2 0 338.402 1.407 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351788 452036150 /nfs/dbraw/zinc/03/61/50/452036150.db2.gz RYONRNSVEHYIFZ-IXKJSCDLSA-N 2 0 346.450 1.505 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721333 452045778 /nfs/dbraw/zinc/04/57/78/452045778.db2.gz ZRRCTQMPQVPZAW-HKUYNNGSSA-N 2 0 348.491 1.181 20 0 EDADRP [NH3+]C[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078563 452046963 /nfs/dbraw/zinc/04/69/63/452046963.db2.gz BBKFXMBJYONOCZ-ZBFHGGJFSA-N 2 0 335.423 1.082 20 0 EDADRP NC(=O)c1cccnc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649411544 452073902 /nfs/dbraw/zinc/07/39/02/452073902.db2.gz DFXSYVPJGSZGRZ-UHFFFAOYSA-N 2 0 331.464 1.082 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000637786616 452078626 /nfs/dbraw/zinc/07/86/26/452078626.db2.gz FBQZHXCHNZWNDD-SJORKVTESA-N 2 0 338.496 1.130 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc4c(c3)OCO4)C2)CC1 ZINC000639757377 452096799 /nfs/dbraw/zinc/09/67/99/452096799.db2.gz KFNREVMCPLQKIX-UHFFFAOYSA-N 2 0 331.416 1.772 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637829581 452105331 /nfs/dbraw/zinc/10/53/31/452105331.db2.gz RKMCRJCCUMYSDD-UHFFFAOYSA-N 2 0 347.463 1.421 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(CCc2nc(-c3ccccc3)no2)C1 ZINC000639764510 452105920 /nfs/dbraw/zinc/10/59/20/452105920.db2.gz VWQXMDKCCBPTMN-SFHVURJKSA-N 2 0 330.432 1.668 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)o1 ZINC000647180213 452109055 /nfs/dbraw/zinc/10/90/55/452109055.db2.gz NAWRRZBPUSFPOC-AWEZNQCLSA-N 2 0 331.464 1.714 20 0 EDADRP CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000637838313 452109567 /nfs/dbraw/zinc/10/95/67/452109567.db2.gz VHJVPGBHEWCYLM-KRWDZBQOSA-N 2 0 330.476 1.190 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637866996 452122918 /nfs/dbraw/zinc/12/29/18/452122918.db2.gz RFFUMLYSMQLIJL-CQSZACIVSA-N 2 0 347.463 1.551 20 0 EDADRP COc1cccc([C@@H](CNc2nc(N)[nH+]c3c2CCCC3)[NH+](C)C)c1 ZINC000645097248 452150830 /nfs/dbraw/zinc/15/08/30/452150830.db2.gz VYIYHRNDKFPUHY-QGZVFWFLSA-N 2 0 341.459 2.083 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)N1CC[NH+](C)CC1 ZINC000641707410 452212961 /nfs/dbraw/zinc/21/29/61/452212961.db2.gz KVSKSNWXFVYXMJ-QGZVFWFLSA-N 2 0 331.464 1.630 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641759187 452240106 /nfs/dbraw/zinc/24/01/06/452240106.db2.gz BVHAAIDOVOLZPW-UHFFFAOYSA-N 2 0 331.464 1.774 20 0 EDADRP C[C@@H]1C[N@H+](CCCNCc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000657449277 452253603 /nfs/dbraw/zinc/25/36/03/452253603.db2.gz SPDJCAJLUJFNDC-MRXNPFEDSA-N 2 0 329.448 1.858 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)[C@H](C)C1 ZINC000641788915 452267027 /nfs/dbraw/zinc/26/70/27/452267027.db2.gz WEZKADDFADNESR-QRVBRYPASA-N 3 0 338.540 1.103 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NCC23CC(C2)C[NH2+]3)[NH+](C)C)cc1 ZINC000659428181 452271015 /nfs/dbraw/zinc/27/10/15/452271015.db2.gz XUKHRZBKEIASDB-URSIVYNOSA-N 2 0 330.476 1.903 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000659431676 452277197 /nfs/dbraw/zinc/27/71/97/452277197.db2.gz PWTFTQAVMUEGOW-BZUAXINKSA-N 2 0 328.476 1.968 20 0 EDADRP CC1(C)[C@H](NCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000641801840 452278264 /nfs/dbraw/zinc/27/82/64/452278264.db2.gz FQEQIHAKHGMLSM-ZWKOTPCHSA-N 2 0 344.503 1.614 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000659440738 452289807 /nfs/dbraw/zinc/28/98/07/452289807.db2.gz KSAYQJJMQHHOAD-SZMVWBNQSA-N 2 0 346.475 1.534 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643533803 452298036 /nfs/dbraw/zinc/29/80/36/452298036.db2.gz FDXVDPFQSOCPLN-CJNGLKHVSA-N 2 0 337.489 1.730 20 0 EDADRP CN(C)C(=O)N1CCC([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000643544901 452306658 /nfs/dbraw/zinc/30/66/58/452306658.db2.gz NLVAOKIDKVJEOV-UHFFFAOYSA-N 2 0 334.508 1.876 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000661505294 452308135 /nfs/dbraw/zinc/30/81/35/452308135.db2.gz KXLAESLEKMBWPQ-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000665745615 452314890 /nfs/dbraw/zinc/31/48/90/452314890.db2.gz KCNHRIIOWACNFX-CAOSSQGBSA-N 2 0 340.512 1.068 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000638048237 452315323 /nfs/dbraw/zinc/31/53/23/452315323.db2.gz PHTCYDVWPPHPOO-HXUWFJFHSA-N 2 0 345.487 1.926 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[C@H]1F ZINC000659463109 452317045 /nfs/dbraw/zinc/31/70/45/452317045.db2.gz PUUXZPMNCVXCRE-HZPDHXFCSA-N 2 0 326.460 1.864 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659462894 452318361 /nfs/dbraw/zinc/31/83/61/452318361.db2.gz MQGJEEDMLRYRGD-UHFFFAOYSA-N 2 0 326.485 1.447 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000652125504 452322119 /nfs/dbraw/zinc/32/21/19/452322119.db2.gz WADMWFIMGUHXOX-UHFFFAOYSA-N 2 0 331.464 1.474 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000638051189 452322507 /nfs/dbraw/zinc/32/25/07/452322507.db2.gz YONXOMWLBZJMHS-ZMSDIMECSA-N 2 0 333.432 1.065 20 0 EDADRP [NH3+]C[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C(F)(F)F ZINC000655515801 452325122 /nfs/dbraw/zinc/32/51/22/452325122.db2.gz LGQXNYRHABNHEC-CQSZACIVSA-N 2 0 329.366 1.848 20 0 EDADRP CC(C)CO[C@@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759637 452325311 /nfs/dbraw/zinc/32/53/11/452325311.db2.gz LPHSQQAELYLUSK-DLBZAZTESA-N 2 0 342.528 1.715 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659473193 452330056 /nfs/dbraw/zinc/33/00/56/452330056.db2.gz UFLLXESIPRDQPL-TZGCNFNXSA-N 2 0 343.475 1.658 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638054099 452335114 /nfs/dbraw/zinc/33/51/14/452335114.db2.gz DXBIAVHUZDWWHA-GOSISDBHSA-N 2 0 330.476 1.189 20 0 EDADRP C[C@@]1(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]C1 ZINC000663611316 452340981 /nfs/dbraw/zinc/34/09/81/452340981.db2.gz JXRKFTXKWDQPIR-LJQANCHMSA-N 2 0 344.459 1.132 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000659490224 452351261 /nfs/dbraw/zinc/35/12/61/452351261.db2.gz QSEMUKKXJBLGNZ-QFWMXSHPSA-N 2 0 336.402 1.699 20 0 EDADRP CC[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659505422 452371358 /nfs/dbraw/zinc/37/13/58/452371358.db2.gz MZKQDFIKKHNASM-QGZVFWFLSA-N 2 0 334.464 1.052 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000638069829 452372361 /nfs/dbraw/zinc/37/23/61/452372361.db2.gz MZWITOJPVGYLJD-XYJFISCASA-N 2 0 333.476 1.910 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000638074093 452383899 /nfs/dbraw/zinc/38/38/99/452383899.db2.gz ILJABFRFGSYSIV-SFHVURJKSA-N 2 0 327.472 1.962 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638075094 452386534 /nfs/dbraw/zinc/38/65/34/452386534.db2.gz BVZWSEHVURPQOD-RVKKMQEKSA-N 2 0 349.475 1.701 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638076198 452389888 /nfs/dbraw/zinc/38/98/88/452389888.db2.gz PGFMEKURLSRBOJ-HKUYNNGSSA-N 2 0 333.476 1.873 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652208590 452405198 /nfs/dbraw/zinc/40/51/98/452405198.db2.gz IWXBIJQUUXYRTB-JONQDZQNSA-N 2 0 326.485 1.288 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659549855 452407910 /nfs/dbraw/zinc/40/79/10/452407910.db2.gz UHIPJGWHAXPIRF-HNNXBMFYSA-N 2 0 340.512 1.694 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000659555000 452412341 /nfs/dbraw/zinc/41/23/41/452412341.db2.gz YAVDUIYUNFKJCW-WBAXXEDZSA-N 2 0 348.491 1.957 20 0 EDADRP CC[N@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652224040 452417499 /nfs/dbraw/zinc/41/74/99/452417499.db2.gz RTUNZCNGWQNEOG-KRWDZBQOSA-N 2 0 340.512 1.709 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654382488 452434625 /nfs/dbraw/zinc/43/46/25/452434625.db2.gz XHLZDAXMFDFHJA-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000659588789 452445559 /nfs/dbraw/zinc/44/55/59/452445559.db2.gz HRBFQRLTJLRKFA-JENIJYKNSA-N 2 0 346.475 1.521 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589595 452446278 /nfs/dbraw/zinc/44/62/78/452446278.db2.gz USBPCTUYTKJACD-BQGCOEIASA-N 2 0 334.439 1.650 20 0 EDADRP CN(CC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659610652 452468100 /nfs/dbraw/zinc/46/81/00/452468100.db2.gz GRXIJBSZSKKJSU-KRWDZBQOSA-N 2 0 330.476 1.889 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000652291961 452476896 /nfs/dbraw/zinc/47/68/96/452476896.db2.gz PKJALNRWLSAHOJ-ROUUACIJSA-N 2 0 330.476 1.937 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788481 452521844 /nfs/dbraw/zinc/52/18/44/452521844.db2.gz KDSGOWGICWYCQK-FVQBIDKESA-N 2 0 337.489 1.415 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000659677989 452549221 /nfs/dbraw/zinc/54/92/21/452549221.db2.gz VGRDLZFAPMIASW-BRWVUGGUSA-N 2 0 346.475 1.038 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000659680952 452552819 /nfs/dbraw/zinc/55/28/19/452552819.db2.gz NJJWADKJMHPGST-HUUCEWRRSA-N 2 0 340.512 1.103 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661779891 452574175 /nfs/dbraw/zinc/57/41/75/452574175.db2.gz OFTIUNKUUFHPSV-SZMVWBNQSA-N 2 0 347.507 1.274 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000657868882 452579958 /nfs/dbraw/zinc/57/99/58/452579958.db2.gz QZWXREYWNTTXOM-WMZOPIPTSA-N 2 0 328.464 1.245 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000654529398 452609654 /nfs/dbraw/zinc/60/96/54/452609654.db2.gz IKYBSTRYYNXKEK-ZACQAIPSSA-N 2 0 337.533 1.947 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CCN2CC[NH2+]CC2)C1)c1ccccc1 ZINC000647883399 452620326 /nfs/dbraw/zinc/62/03/26/452620326.db2.gz OIXMETIHNWPBOW-KRWDZBQOSA-N 2 0 330.476 1.034 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901956 452643294 /nfs/dbraw/zinc/64/32/94/452643294.db2.gz XUZJVSNWKUZUAK-WBVHZDCISA-N 2 0 344.459 1.578 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659747532 452645299 /nfs/dbraw/zinc/64/52/99/452645299.db2.gz ZQNMLJAWHMGPED-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000666190204 452672047 /nfs/dbraw/zinc/67/20/47/452672047.db2.gz BTNPNVANSNTRON-KRWDZBQOSA-N 3 0 338.540 1.103 20 0 EDADRP C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655916736 452677287 /nfs/dbraw/zinc/67/72/87/452677287.db2.gz HKAAEWREMXLEOA-WCQYABFASA-N 2 0 332.370 1.696 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+](C)C3CC3)CC2)CC1 ZINC000654599481 452687841 /nfs/dbraw/zinc/68/78/41/452687841.db2.gz HJQFJGBZWOFQMP-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000655927274 452696101 /nfs/dbraw/zinc/69/61/01/452696101.db2.gz HAMPLORDNZCHDG-KWCYVHTRSA-N 2 0 344.381 1.838 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000661955227 452718040 /nfs/dbraw/zinc/71/80/40/452718040.db2.gz CUNDTRQXTGWNAU-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000658084561 452721057 /nfs/dbraw/zinc/72/10/57/452721057.db2.gz ASYUCQMUVVEKQA-MRXNPFEDSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655954919 452730982 /nfs/dbraw/zinc/73/09/82/452730982.db2.gz RRCBZZAADJWDLT-FZNQNYSPSA-N 2 0 332.448 1.191 20 0 EDADRP [NH3+]CCOCC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000645733199 452731766 /nfs/dbraw/zinc/73/17/66/452731766.db2.gz ILXMIVIGJLHMJJ-UHFFFAOYSA-N 2 0 332.448 1.132 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655958520 452740020 /nfs/dbraw/zinc/74/00/20/452740020.db2.gz LXQGPQFEKYYGHN-XKQJLSEDSA-N 2 0 344.459 1.778 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658146937 452755650 /nfs/dbraw/zinc/75/56/50/452755650.db2.gz WOMIFPUHFLZNBQ-LPHOPBHVSA-N 2 0 347.503 1.990 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@]2(OCCO)CCOC2)CC1 ZINC000658148705 452757077 /nfs/dbraw/zinc/75/70/77/452757077.db2.gz OLKYUVGDSRJADC-NZSAHSFTSA-N 2 0 340.508 1.787 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662014252 452766013 /nfs/dbraw/zinc/76/60/13/452766013.db2.gz YEVZEYQKMPCPDA-KRWDZBQOSA-N 2 0 339.528 1.090 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](N(C)c3ccccc3)C2)CC1 ZINC000662016009 452770805 /nfs/dbraw/zinc/77/08/05/452770805.db2.gz DJXXYRFPGBEZCF-IBGZPJMESA-N 2 0 344.503 1.798 20 0 EDADRP C[N@H+](CCNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000664094050 452785969 /nfs/dbraw/zinc/78/59/69/452785969.db2.gz JYLHPFOOJSEDDX-GOSISDBHSA-N 2 0 346.475 1.147 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645787012 452788343 /nfs/dbraw/zinc/78/83/43/452788343.db2.gz RRXRPULXSKWHRQ-KRWDZBQOSA-N 2 0 331.460 1.393 20 0 EDADRP O=C(CCC1CC[NH2+]CC1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648114974 452831808 /nfs/dbraw/zinc/83/18/08/452831808.db2.gz GPMAYFPNMALRFV-GOSISDBHSA-N 2 0 330.476 1.800 20 0 EDADRP O=C([C@H]1C[NH2+]CCOC1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000648117659 452833716 /nfs/dbraw/zinc/83/37/16/452833716.db2.gz GTCKTWFSZKLKRQ-HOTGVXAUSA-N 2 0 349.500 1.455 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000659942570 452838153 /nfs/dbraw/zinc/83/81/53/452838153.db2.gz MHCMCXPHYOHXDK-INIZCTEOSA-N 2 0 339.524 1.970 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000645884268 452877032 /nfs/dbraw/zinc/87/70/32/452877032.db2.gz ZRZUZHLRJKNCQG-KRWDZBQOSA-N 2 0 349.479 1.038 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccn(C(C)(C)C)n1 ZINC000654778536 452911668 /nfs/dbraw/zinc/91/16/68/452911668.db2.gz ASGOQBRWEIWUOK-UHFFFAOYSA-N 2 0 337.512 1.984 20 0 EDADRP CN(CCC[NH+](C)C)CCNc1cc(N2CCSCC2)ncn1 ZINC000664247548 452927741 /nfs/dbraw/zinc/92/77/41/452927741.db2.gz BBDNJEKIJGYKJH-UHFFFAOYSA-N 3 0 338.525 1.325 20 0 EDADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000645959220 452938816 /nfs/dbraw/zinc/93/88/16/452938816.db2.gz STBVAHRGGZUNJR-CGTJXYLNSA-N 2 0 333.476 1.532 20 0 EDADRP CO[C@@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662245288 452972114 /nfs/dbraw/zinc/97/21/14/452972114.db2.gz SNJDWBYWMBXDHU-MSOLQXFVSA-N 2 0 331.460 1.518 20 0 EDADRP C[C@]1(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)NC(=O)NC1=O ZINC000662255554 452985533 /nfs/dbraw/zinc/98/55/33/452985533.db2.gz CWEBDIVCEBCPGB-LJQANCHMSA-N 2 0 342.443 1.142 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000662265573 452997434 /nfs/dbraw/zinc/99/74/34/452997434.db2.gz RHBVUGHYSJZOIE-XJKSGUPXSA-N 2 0 332.448 1.632 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666631031 453022844 /nfs/dbraw/zinc/02/28/44/453022844.db2.gz FAFHJPHWJHHLEP-UHFFFAOYSA-N 2 0 346.475 1.712 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)CC1 ZINC000664349372 453022949 /nfs/dbraw/zinc/02/29/49/453022949.db2.gz KJTILHMWXLBASY-IRXDYDNUSA-N 2 0 340.512 1.061 20 0 EDADRP CN1CCC[C@@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000662328088 453045921 /nfs/dbraw/zinc/04/59/21/453045921.db2.gz YISZHPWJZMUJJI-GOSISDBHSA-N 2 0 345.491 1.677 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000662336532 453054035 /nfs/dbraw/zinc/05/40/35/453054035.db2.gz DUXILMJNFWOIGI-OAHLLOKOSA-N 2 0 326.448 1.594 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666787342 453146628 /nfs/dbraw/zinc/14/66/28/453146628.db2.gz JBZFNDGRRWEIAC-MRXNPFEDSA-N 2 0 332.448 1.465 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000655027930 453150881 /nfs/dbraw/zinc/15/08/81/453150881.db2.gz GZIRMCKZIHCNHF-QRVBRYPASA-N 2 0 349.519 1.961 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662444956 453151915 /nfs/dbraw/zinc/15/19/15/453151915.db2.gz LNMQWBIWZOIFBL-INIZCTEOSA-N 2 0 340.512 1.010 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666808125 453161024 /nfs/dbraw/zinc/16/10/24/453161024.db2.gz UQGUZXBUCPTDKX-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000648648729 453185601 /nfs/dbraw/zinc/18/56/01/453185601.db2.gz QPVVUIPZRJVOMI-SFHVURJKSA-N 2 0 335.492 1.563 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000646180991 453192075 /nfs/dbraw/zinc/19/20/75/453192075.db2.gz OJPDXHUWEKDZES-LJQANCHMSA-N 2 0 331.460 1.145 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000660321204 453213163 /nfs/dbraw/zinc/21/31/63/453213163.db2.gz DAHWUGPFDWQIFQ-UHFFFAOYSA-N 2 0 330.476 1.985 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662536219 453259963 /nfs/dbraw/zinc/25/99/63/453259963.db2.gz WWQSDZAWTKHXAE-UHFFFAOYSA-N 2 0 336.484 1.397 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653108990 453293336 /nfs/dbraw/zinc/29/33/36/453293336.db2.gz PAIWWBIQFVDWEM-QZTJIDSGSA-N 2 0 331.460 1.774 20 0 EDADRP CC(C)(CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@@H+]1CCc2ccccc2C1 ZINC000653109749 453295401 /nfs/dbraw/zinc/29/54/01/453295401.db2.gz LOAGNTQVMHVFSZ-PXNSSMCTSA-N 2 0 343.471 1.176 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)c1ccsc1 ZINC000653109629 453296312 /nfs/dbraw/zinc/29/63/12/453296312.db2.gz HWFCKAWWUOGWEF-LSDHHAIUSA-N 2 0 326.510 1.526 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC12CCOCC2 ZINC000662571998 453297877 /nfs/dbraw/zinc/29/78/77/453297877.db2.gz VNESRFGSYMWICC-DOTOQJQBSA-N 2 0 329.444 1.435 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000653114223 453301692 /nfs/dbraw/zinc/30/16/92/453301692.db2.gz AMVIUWYWPUGIGG-MRXNPFEDSA-N 2 0 336.505 1.453 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653114877 453302460 /nfs/dbraw/zinc/30/24/60/453302460.db2.gz ZQQQSQFVGIJJTD-KZNAEPCWSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC000662583815 453310804 /nfs/dbraw/zinc/31/08/04/453310804.db2.gz WTDBTCYCAKZIIR-CFVMTHIKSA-N 2 0 349.500 1.752 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000653124658 453317937 /nfs/dbraw/zinc/31/79/37/453317937.db2.gz CVBIWWMKSBAGMI-RTBURBONSA-N 2 0 342.487 1.903 20 0 EDADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653150604 453337603 /nfs/dbraw/zinc/33/76/03/453337603.db2.gz GZRIMZZOJMBVBL-LPHOPBHVSA-N 2 0 329.444 1.499 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3C[NH2+]Cc4ccccc43)sc2C1 ZINC000646358966 453347434 /nfs/dbraw/zinc/34/74/34/453347434.db2.gz GXVZMXXELPNIFC-AAEUAGOBSA-N 2 0 328.441 1.785 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000653182358 453372178 /nfs/dbraw/zinc/37/21/78/453372178.db2.gz RABMDEWNXXSLNY-UHFFFAOYSA-N 2 0 345.487 1.535 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)on1 ZINC000662666425 453380118 /nfs/dbraw/zinc/38/01/18/453380118.db2.gz SCUGJLFCHROHJN-CQSZACIVSA-N 2 0 328.416 1.873 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000646444116 453389201 /nfs/dbraw/zinc/38/92/01/453389201.db2.gz KJQIEDRJFDCIFX-ZWKOTPCHSA-N 2 0 331.460 1.683 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000664766895 453392185 /nfs/dbraw/zinc/39/21/85/453392185.db2.gz RAYRNTXTBNFSPJ-UHFFFAOYSA-N 3 0 339.528 1.044 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCOC1C[NH2+]C1 ZINC000653201928 453393702 /nfs/dbraw/zinc/39/37/02/453393702.db2.gz BLLFPTDQNRBQBZ-GVDBMIGSSA-N 2 0 345.487 1.875 20 0 EDADRP O=C(c1cccc(C[NH+]2CCCCC2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655294314 453409676 /nfs/dbraw/zinc/40/96/76/453409676.db2.gz SLBQFRMIPCRCBU-RBUKOAKNSA-N 2 0 343.471 1.564 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1(C)C ZINC000662694557 453416780 /nfs/dbraw/zinc/41/67/80/453416780.db2.gz SCZIZQFNQKBSKY-RKVPGOIHSA-N 2 0 325.497 1.756 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000662707812 453431021 /nfs/dbraw/zinc/43/10/21/453431021.db2.gz IFSQDGCFOCDTQD-AEFFLSMTSA-N 2 0 329.444 1.591 20 0 EDADRP Cc1nc(-c2ccc(C)c(NC(=O)N3CCN(C)C[C@H]3C[NH3+])c2)n[nH]1 ZINC000667174496 453451960 /nfs/dbraw/zinc/45/19/60/453451960.db2.gz HLBIHXPICASFFT-CQSZACIVSA-N 2 0 343.435 1.195 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000662737811 453463175 /nfs/dbraw/zinc/46/31/75/453463175.db2.gz CSBBKVDNYUEKCG-BFYDXBDKSA-N 2 0 344.459 1.529 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660702128 453526889 /nfs/dbraw/zinc/52/68/89/453526889.db2.gz GFQJJDQXKWPDKS-DLBZAZTESA-N 2 0 336.480 1.023 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655446235 453533800 /nfs/dbraw/zinc/53/38/00/453533800.db2.gz JAZHWULITYFPAD-APWZRJJASA-N 2 0 344.459 1.905 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662813089 453545621 /nfs/dbraw/zinc/54/56/21/453545621.db2.gz KJDOMMCIEXXXBT-HOCLYGCPSA-N 2 0 332.448 1.746 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000662830286 453556769 /nfs/dbraw/zinc/55/67/69/453556769.db2.gz JVSFDTWTSQACEJ-MWDXBVQZSA-N 2 0 325.497 1.885 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000662833114 453560188 /nfs/dbraw/zinc/56/01/88/453560188.db2.gz MPMWBTPSITXCPK-ROUUACIJSA-N 2 0 349.450 1.581 20 0 EDADRP O=C(N1CCC[C@@H](C2CC[NH2+]CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662841217 453565119 /nfs/dbraw/zinc/56/51/19/453565119.db2.gz JAMHLDZQQBBKSP-QGZVFWFLSA-N 2 0 345.491 1.200 20 0 EDADRP COCC(COC)N1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000660794914 453576978 /nfs/dbraw/zinc/57/69/78/453576978.db2.gz DDOVKGIJMORVNZ-IRXDYDNUSA-N 2 0 327.513 1.243 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[NH+](CC)CC)cc1 ZINC000662868990 453580789 /nfs/dbraw/zinc/58/07/89/453580789.db2.gz STJJRTBDKLFMJI-ROUUACIJSA-N 2 0 333.476 1.989 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)[C@@H]1CCC[NH3+] ZINC000662892154 453590145 /nfs/dbraw/zinc/59/01/45/453590145.db2.gz AMAURNNJAQSMAZ-DJIMGWMZSA-N 2 0 333.480 1.787 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659038293 453593040 /nfs/dbraw/zinc/59/30/40/453593040.db2.gz OHRXRROWDKBQOZ-OLMNPRSZSA-N 2 0 344.459 1.905 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900937 453596232 /nfs/dbraw/zinc/59/62/32/453596232.db2.gz QFZUYFSDXXVTKA-SJORKVTESA-N 2 0 338.540 1.638 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000665232116 453616311 /nfs/dbraw/zinc/61/63/11/453616311.db2.gz GFKFAEJDNDIHCH-SCTDSRPQSA-N 2 0 336.476 1.722 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000660863647 453620525 /nfs/dbraw/zinc/62/05/25/453620525.db2.gz YUIANZPOZXONOV-XUVXKRRUSA-N 2 0 331.504 1.894 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1(C)C ZINC000662973148 453631055 /nfs/dbraw/zinc/63/10/55/453631055.db2.gz OQGXFDOBAFSUEC-DAYGRLMNSA-N 2 0 341.496 1.088 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659104259 453636807 /nfs/dbraw/zinc/63/68/07/453636807.db2.gz ZFFIJOKIRUJBBR-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662999980 453642542 /nfs/dbraw/zinc/64/25/42/453642542.db2.gz DGMBTHAHHOXCQB-HNNXBMFYSA-N 2 0 346.479 1.054 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005661 453644293 /nfs/dbraw/zinc/64/42/93/453644293.db2.gz XFVJBZZXNPEJLX-YZLZLFLDSA-N 2 0 349.519 1.757 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000665356781 453664210 /nfs/dbraw/zinc/66/42/10/453664210.db2.gz XTPUOLZNVAOILJ-LSDHHAIUSA-N 2 0 326.485 1.005 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@@H](C)C1 ZINC000659285312 453700721 /nfs/dbraw/zinc/70/07/21/453700721.db2.gz LWODHGVKNONGPE-JKSUJKDBSA-N 2 0 337.508 1.901 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000659288825 453704204 /nfs/dbraw/zinc/70/42/04/453704204.db2.gz SQRXITZVLQRSIK-BPQIPLTHSA-N 2 0 333.476 1.766 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661100808 453715041 /nfs/dbraw/zinc/71/50/41/453715041.db2.gz WVGMJNSHSZHZML-QGZVFWFLSA-N 2 0 330.476 1.712 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCNC2=O)CC1 ZINC000657284641 453758253 /nfs/dbraw/zinc/75/82/53/453758253.db2.gz UDCATDHNOUTVMW-GOSISDBHSA-N 2 0 344.503 1.834 20 0 EDADRP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657305797 453762983 /nfs/dbraw/zinc/76/29/83/453762983.db2.gz LNEJTKCEIAQPRJ-UHFFFAOYSA-N 2 0 333.402 1.555 20 0 EDADRP Cn1ncc(C2CC2)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000657313169 453763942 /nfs/dbraw/zinc/76/39/42/453763942.db2.gz HEEJZEIEBBSCBW-UHFFFAOYSA-N 2 0 340.475 1.734 20 0 EDADRP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC000657354091 453772819 /nfs/dbraw/zinc/77/28/19/453772819.db2.gz PITLLCVDVSDFCM-DLBZAZTESA-N 2 0 333.480 1.536 20 0 EDADRP CN(C(=O)CC[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000663358991 453777817 /nfs/dbraw/zinc/77/78/17/453777817.db2.gz BQPZEYIYYAFQPV-INIZCTEOSA-N 2 0 346.475 1.217 20 0 EDADRP COc1cc2[nH+]ccc(NCCC[NH+]3CCC(O)CC3)c2cc1OC ZINC000663402295 453789861 /nfs/dbraw/zinc/78/98/61/453789861.db2.gz HXIZZEYLZSKJRL-UHFFFAOYSA-N 2 0 345.443 1.933 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000663479229 453805014 /nfs/dbraw/zinc/80/50/14/453805014.db2.gz DPDQHPPQEDDMJU-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(Cc3nc4c(s3)C[NH2+]CC4)CC2)C1 ZINC000663495808 453810492 /nfs/dbraw/zinc/81/04/92/453810492.db2.gz BDAGEKHLTVUERU-HIFRSBDPSA-N 2 0 336.505 1.507 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCCS2(=O)=O)cc1 ZINC000680137053 486710508 /nfs/dbraw/zinc/71/05/08/486710508.db2.gz LGPYXERGTQDCPH-KRWDZBQOSA-N 2 0 340.489 1.684 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687317 486762318 /nfs/dbraw/zinc/76/23/18/486762318.db2.gz KQKAOGRCLAKMIO-ZBFHGGJFSA-N 2 0 334.468 1.535 20 0 EDADRP Cc1cccc2nc(CNC(=O)N3CC[N@H+](CCO)C(C)(C)C3)cn21 ZINC000672851862 486819622 /nfs/dbraw/zinc/81/96/22/486819622.db2.gz ZAABMHPBUUAGBH-UHFFFAOYSA-N 2 0 345.447 1.241 20 0 EDADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417996500 486820813 /nfs/dbraw/zinc/82/08/13/486820813.db2.gz SLRLTJOWABLIGL-ROUUACIJSA-N 2 0 346.475 1.834 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418079045 486824523 /nfs/dbraw/zinc/82/45/23/486824523.db2.gz XLVBFBRPXRMEDG-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000667537212 486830378 /nfs/dbraw/zinc/83/03/78/486830378.db2.gz TYMGHJGGCGTFCT-DOTOQJQBSA-N 2 0 344.459 1.206 20 0 EDADRP CO[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000667680296 486910972 /nfs/dbraw/zinc/91/09/72/486910972.db2.gz CGDJJGLZNKXKBS-WMZOPIPTSA-N 2 0 346.475 1.525 20 0 EDADRP O=C1C[C@@]2(CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)CN1 ZINC000684026723 486916590 /nfs/dbraw/zinc/91/65/90/486916590.db2.gz HLVAQAUVEWSNLF-FQEVSTJZSA-N 2 0 343.471 1.873 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000320736705 486957481 /nfs/dbraw/zinc/95/74/81/486957481.db2.gz OPLJYLIUYKTEID-UHFFFAOYSA-N 2 0 339.867 1.838 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000667810281 486976982 /nfs/dbraw/zinc/97/69/82/486976982.db2.gz PCUIDYUWOHPYSJ-UHFFFAOYSA-N 2 0 341.415 1.773 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1 ZINC000321438299 486992845 /nfs/dbraw/zinc/99/28/45/486992845.db2.gz MHXVRUHTEKOABQ-HIFRSBDPSA-N 2 0 329.366 1.948 20 0 EDADRP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C ZINC000677194109 487004683 /nfs/dbraw/zinc/00/46/83/487004683.db2.gz QJPJMDSOJXYUSM-SFHVURJKSA-N 2 0 344.503 1.751 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](CO)c2cccnc2)cc1 ZINC000673616365 487069942 /nfs/dbraw/zinc/06/99/42/487069942.db2.gz SRYSTCBWMZWZSO-SFHVURJKSA-N 2 0 329.444 1.888 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000673867166 487139455 /nfs/dbraw/zinc/13/94/55/487139455.db2.gz JXQAGFUBJBNCAN-INIZCTEOSA-N 2 0 334.468 1.537 20 0 EDADRP CN1CCN(C(=O)[C@H]2CCc3nccn3C2)C[C@@H]1Cc1ccccc1 ZINC000671927554 487156622 /nfs/dbraw/zinc/15/66/22/487156622.db2.gz DOJIBSKNHNZAFR-ROUUACIJSA-N 2 0 338.455 1.831 20 0 EDADRP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000684773519 487159884 /nfs/dbraw/zinc/15/98/84/487159884.db2.gz QNASTPMVWWXXTE-QGZVFWFLSA-N 2 0 343.537 1.797 20 0 EDADRP CN1CCC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000673932456 487162102 /nfs/dbraw/zinc/16/21/02/487162102.db2.gz VYRZDLYLINJRLA-GOSISDBHSA-N 2 0 331.460 1.872 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000672008069 487165732 /nfs/dbraw/zinc/16/57/32/487165732.db2.gz OOQXDHVEBZTBNN-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1cccc(OCC[NH+](C)C)c1 ZINC000678601383 487340441 /nfs/dbraw/zinc/34/04/41/487340441.db2.gz OOBMSKOHIFUILD-TXPKVOOTSA-N 2 0 335.492 1.997 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC[N@H+](C)C2CCCCC2)cn1 ZINC000682395931 487357208 /nfs/dbraw/zinc/35/72/08/487357208.db2.gz IQVATAVNTNLAFZ-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000675191993 487387426 /nfs/dbraw/zinc/38/74/26/487387426.db2.gz SLRKJHRMKKXAAJ-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000675194064 487388019 /nfs/dbraw/zinc/38/80/19/487388019.db2.gz JLWLLVDCMRMPAW-ZACQAIPSSA-N 2 0 338.496 1.101 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)NCC[NH+](C)C ZINC000679086580 487391163 /nfs/dbraw/zinc/39/11/63/487391163.db2.gz LUFDPLMVSYOLIX-RDJZCZTQSA-N 3 0 326.529 1.399 20 0 EDADRP [NH3+][C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Cl)c1 ZINC000669520487 485486536 /nfs/dbraw/zinc/48/65/36/485486536.db2.gz WVTBJYYTQIVGJV-PMPSAXMXSA-N 2 0 337.851 1.695 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000669521447 485488915 /nfs/dbraw/zinc/48/89/15/485488915.db2.gz NVHFSPBNBJURQD-WMLDXEAASA-N 2 0 325.416 1.273 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NCC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000669554123 485553460 /nfs/dbraw/zinc/55/34/60/485553460.db2.gz GBAQZVRGMWPAGH-QZTJIDSGSA-N 2 0 344.459 1.492 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(C)nc2N2CCCC2)C1 ZINC000669556063 485559177 /nfs/dbraw/zinc/55/91/77/485559177.db2.gz YLYMRLIZSZUWGL-MRXNPFEDSA-N 2 0 331.464 1.884 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000668309704 485587904 /nfs/dbraw/zinc/58/79/04/485587904.db2.gz CHYDVAXVNJFXFX-IBGZPJMESA-N 2 0 347.503 1.903 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669571667 485595423 /nfs/dbraw/zinc/59/54/23/485595423.db2.gz FIPSXLNYHJQXDW-RBUKOAKNSA-N 2 0 342.487 1.916 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000669347616 485995888 /nfs/dbraw/zinc/99/58/88/485995888.db2.gz WJTYJILAHLLAJW-DOTOQJQBSA-N 2 0 333.480 1.012 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405917 486077796 /nfs/dbraw/zinc/07/77/96/486077796.db2.gz OCQBOMHVFSBBSM-FZKCQIBNSA-N 2 0 340.512 1.501 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000570343125 486191878 /nfs/dbraw/zinc/19/18/78/486191878.db2.gz HRUVQMMRSLRTNK-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000669508993 486292547 /nfs/dbraw/zinc/29/25/47/486292547.db2.gz ZEQHMSFKCRETTI-JKSUJKDBSA-N 2 0 331.391 1.693 20 0 EDADRP C[C@@H](C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000672213401 486613608 /nfs/dbraw/zinc/61/36/08/486613608.db2.gz JQXJUJAERQKFEI-HKUYNNGSSA-N 2 0 344.503 1.355 20 0 EDADRP C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000262022240 536465510 /nfs/dbraw/zinc/46/55/10/536465510.db2.gz IUOGMMHUTWGSOO-OAHLLOKOSA-N 2 0 325.478 1.368 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000270903687 535000743 /nfs/dbraw/zinc/00/07/43/535000743.db2.gz ROBPLHCEUZJDFR-MSOLQXFVSA-N 2 0 333.476 1.326 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262695471 535048203 /nfs/dbraw/zinc/04/82/03/535048203.db2.gz DCWFNVGMUMSHJW-SFHVURJKSA-N 2 0 348.491 1.259 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@@H]2C)C1 ZINC000248543314 535117981 /nfs/dbraw/zinc/11/79/81/535117981.db2.gz CZEXFJJYHZPLSJ-WNRNVDISSA-N 2 0 339.524 1.874 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000262082907 535157823 /nfs/dbraw/zinc/15/78/23/535157823.db2.gz XUNCZNLLIOJJFM-RBUKOAKNSA-N 2 0 344.503 1.402 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC([NH+](C)C)C3)cc2)CC1 ZINC000270836851 535203416 /nfs/dbraw/zinc/20/34/16/535203416.db2.gz LNGGGASGCGTFIH-UHFFFAOYSA-N 2 0 330.476 1.603 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339670646 535503111 /nfs/dbraw/zinc/50/31/11/535503111.db2.gz NQBJINFFYOJWIP-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341461306 535514513 /nfs/dbraw/zinc/51/45/13/535514513.db2.gz MHOWJDGPUODOSP-UHFFFAOYSA-N 2 0 342.528 1.907 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187906657 535557262 /nfs/dbraw/zinc/55/72/62/535557262.db2.gz JCZQAHXSWOGVSJ-DLBZAZTESA-N 2 0 349.475 1.400 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)c1ccccc1 ZINC000270738936 535595576 /nfs/dbraw/zinc/59/55/76/535595576.db2.gz AWJBMANPMTYEPX-ROUUACIJSA-N 2 0 333.476 1.595 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H]1CC ZINC000345746696 535597313 /nfs/dbraw/zinc/59/73/13/535597313.db2.gz MAGZXMXZLPVZAR-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246420508 535890228 /nfs/dbraw/zinc/89/02/28/535890228.db2.gz NDWWKJQZEAQCSF-OALUTQOASA-N 2 0 344.503 1.694 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCn2ccnc2)CC1 ZINC000270851439 535917206 /nfs/dbraw/zinc/91/72/06/535917206.db2.gz IARHORUVJHGKCH-UHFFFAOYSA-N 2 0 343.475 1.646 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000271785782 536334029 /nfs/dbraw/zinc/33/40/29/536334029.db2.gz HPZLQVBOCROVAH-MRXNPFEDSA-N 2 0 332.448 1.978 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000237218760 536416526 /nfs/dbraw/zinc/41/65/26/536416526.db2.gz GHXGTRGQKVTNLF-RBUKOAKNSA-N 2 0 344.503 1.681 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340221199 536546187 /nfs/dbraw/zinc/54/61/87/536546187.db2.gz NQUGXZOYUVKWBB-UHFFFAOYSA-N 2 0 346.537 1.680 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000262892377 536565717 /nfs/dbraw/zinc/56/57/17/536565717.db2.gz OSVKETQULYUUEM-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247310197 536784830 /nfs/dbraw/zinc/78/48/30/536784830.db2.gz VIQPPEGQLJFUOC-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000247482527 536860093 /nfs/dbraw/zinc/86/00/93/536860093.db2.gz JWBBJBNFHYRBJS-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP COc1ccc([C@@H](C)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347092905 536885243 /nfs/dbraw/zinc/88/52/43/536885243.db2.gz GHLKWYXYCBGFJR-WMZOPIPTSA-N 2 0 345.487 1.943 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1CCCCCCCO ZINC000743848594 578282550 /nfs/dbraw/zinc/28/25/50/578282550.db2.gz ISZICBQGQVFXSO-MSOLQXFVSA-N 2 0 327.513 1.266 20 0 EDADRP CCn1cc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000726122256 578333663 /nfs/dbraw/zinc/33/36/63/578333663.db2.gz SHNWAXJKAHKVJO-UHFFFAOYSA-N 2 0 340.541 1.805 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Cn2cccn2)o1 ZINC000728611473 578549468 /nfs/dbraw/zinc/54/94/68/578549468.db2.gz IAPXPQRWIPGYKM-UHFFFAOYSA-N 2 0 333.436 1.090 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000729495749 578577537 /nfs/dbraw/zinc/57/75/37/578577537.db2.gz IJCUYSOKUIAGDC-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734269065 578805835 /nfs/dbraw/zinc/80/58/35/578805835.db2.gz DKHKFVAGBNFQSG-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736758705 579017970 /nfs/dbraw/zinc/01/79/70/579017970.db2.gz IRQMCRLFMRYLBI-ZDUSSCGKSA-N 2 0 343.435 1.079 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736758327 579018019 /nfs/dbraw/zinc/01/80/19/579018019.db2.gz FWWHRPJTTJZXRY-CQSZACIVSA-N 2 0 330.436 1.519 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cn1cnc(-c2ccccn2)n1 ZINC000762499744 580076058 /nfs/dbraw/zinc/07/60/58/580076058.db2.gz AHBADAYVLAXCAH-DJIMGWMZSA-N 2 0 342.447 1.481 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cn1cnc(-c2ccccn2)n1 ZINC000762499748 580076079 /nfs/dbraw/zinc/07/60/79/580076079.db2.gz AHBADAYVLAXCAH-HYVNUMGLSA-N 2 0 342.447 1.481 20 0 EDADRP C[NH+]1CCC(NC(=S)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000772816433 580321218 /nfs/dbraw/zinc/32/12/18/580321218.db2.gz GOWQIBCEVVPPFI-RHSMWYFYSA-N 2 0 336.549 1.904 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cc[nH]c(=O)c1 ZINC000788641228 580726736 /nfs/dbraw/zinc/72/67/36/580726736.db2.gz BYHWYWDKUVAIJK-AWEZNQCLSA-N 2 0 342.443 1.929 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857710 590659648 /nfs/dbraw/zinc/65/96/48/590659648.db2.gz DQFLCFHUSMNGQS-KGLIPLIRSA-N 2 0 348.438 1.031 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1 ZINC000893188859 590702219 /nfs/dbraw/zinc/70/22/19/590702219.db2.gz ISKSGLXALFNJDX-GFCCVEGCSA-N 2 0 333.440 1.873 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000892060436 590778837 /nfs/dbraw/zinc/77/88/37/590778837.db2.gz PNCHCIQNRJSOCZ-MAUKXSAKSA-N 2 0 331.464 1.691 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000892090571 590794158 /nfs/dbraw/zinc/79/41/58/590794158.db2.gz GJMOMEBSEKYRCV-QZTJIDSGSA-N 2 0 346.475 1.869 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892169002 590839971 /nfs/dbraw/zinc/83/99/71/590839971.db2.gz HUWMOFSEZYWBGR-SQNIBIBYSA-N 2 0 330.476 1.996 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000892169148 590840578 /nfs/dbraw/zinc/84/05/78/590840578.db2.gz INFKVSKWGXWWLL-JKSUJKDBSA-N 2 0 326.485 1.114 20 0 EDADRP CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000892213013 590868113 /nfs/dbraw/zinc/86/81/13/590868113.db2.gz UDGGXLCFJWLPOK-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP COCCC1(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000892237295 590880637 /nfs/dbraw/zinc/88/06/37/590880637.db2.gz YWTNVLLNYVKYAN-JKSUJKDBSA-N 2 0 338.496 1.461 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892252615 590888275 /nfs/dbraw/zinc/88/82/75/590888275.db2.gz IWALNWMWODQQIV-XDNAFOTISA-N 2 0 328.460 1.668 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266877 590899769 /nfs/dbraw/zinc/89/97/69/590899769.db2.gz ILHARDUMNCLXBT-INIZCTEOSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCOCCC[NH3+] ZINC000892290138 590917755 /nfs/dbraw/zinc/91/77/55/590917755.db2.gz DJXVQZRQTXSCQW-UHFFFAOYSA-N 2 0 328.501 1.361 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)[NH2+]C1 ZINC000892378114 591000844 /nfs/dbraw/zinc/00/08/44/591000844.db2.gz QCBFJLJDHRKYGJ-SJORKVTESA-N 2 0 330.476 1.778 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892443445 591031077 /nfs/dbraw/zinc/03/10/77/591031077.db2.gz ZVLOPLBEULPUMN-ULQDDVLXSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892451938 591032599 /nfs/dbraw/zinc/03/25/99/591032599.db2.gz HAQOSIWGNCECMS-NXVRBGIVSA-N 2 0 329.448 1.668 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892465516 591036844 /nfs/dbraw/zinc/03/68/44/591036844.db2.gz WHEFBSSYLLGCHO-UHFFFAOYSA-N 2 0 338.496 1.495 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1OC ZINC000892594071 591086461 /nfs/dbraw/zinc/08/64/61/591086461.db2.gz GTMPKNGZQYKGHY-JFIYKMOQSA-N 2 0 334.464 1.115 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892597248 591087591 /nfs/dbraw/zinc/08/75/91/591087591.db2.gz QUXASAGCTCVLEZ-UHFFFAOYSA-N 2 0 349.544 1.825 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608718 591092672 /nfs/dbraw/zinc/09/26/72/591092672.db2.gz HKMPXNKTXBEENM-MJGOQNOKSA-N 2 0 346.475 1.247 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@H](C)C1 ZINC000891567088 591129632 /nfs/dbraw/zinc/12/96/32/591129632.db2.gz VPLOCTYXDALLRZ-CABCVRRESA-N 2 0 328.501 1.550 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758591 591162059 /nfs/dbraw/zinc/16/20/59/591162059.db2.gz KOLDIWJPTABXIL-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892776090 591171227 /nfs/dbraw/zinc/17/12/27/591171227.db2.gz MRHBUDUFZQPEGV-CVEARBPZSA-N 2 0 338.496 1.317 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000891659336 591172358 /nfs/dbraw/zinc/17/23/58/591172358.db2.gz DTBOQEXZGOEGAU-OIISXLGYSA-N 2 0 330.476 1.871 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891670869 591176807 /nfs/dbraw/zinc/17/68/07/591176807.db2.gz UPRIJTFGGCQOJF-QFBILLFUSA-N 2 0 344.503 1.978 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891674324 591179428 /nfs/dbraw/zinc/17/94/28/591179428.db2.gz WXCKEARFFHFPGJ-MSOLQXFVSA-N 2 0 330.476 1.875 20 0 EDADRP CC[C@H](CCO)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000893015249 591254865 /nfs/dbraw/zinc/25/48/65/591254865.db2.gz WMXUWGZTYGLJOL-CQSZACIVSA-N 2 0 329.485 1.726 20 0 EDADRP COC[C@@]1(C(=O)OC(C)(C)C)CN(CC2CC[NH+](C)CC2)CCO1 ZINC000895761082 591267445 /nfs/dbraw/zinc/26/74/45/591267445.db2.gz AXRUWEQBXBQZHJ-GOSISDBHSA-N 2 0 342.480 1.387 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895850792 591287851 /nfs/dbraw/zinc/28/78/51/591287851.db2.gz KYWJSKPYFUAXAP-GVDBMIGSSA-N 2 0 336.480 1.118 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)o1 ZINC000894375496 591294641 /nfs/dbraw/zinc/29/46/41/591294641.db2.gz LJSCCNPUNMMGES-BQYQJAHWSA-N 2 0 335.448 1.583 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)CC1 ZINC000896017253 591324043 /nfs/dbraw/zinc/32/40/43/591324043.db2.gz LAAJUPGTNRGCBU-MJGOQNOKSA-N 2 0 349.519 1.678 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000894522534 591334446 /nfs/dbraw/zinc/33/44/46/591334446.db2.gz KBOBYXUJEMJBBX-UHFFFAOYSA-N 2 0 341.477 1.077 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[NH+]2CCCC2)o1 ZINC000896063484 591334374 /nfs/dbraw/zinc/33/43/74/591334374.db2.gz AIKNHUFTEXPVIF-DLBZAZTESA-N 2 0 347.459 1.562 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)C1 ZINC000897482570 591488505 /nfs/dbraw/zinc/48/85/05/591488505.db2.gz BNKPNOQZVIKPEJ-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897488274 591492692 /nfs/dbraw/zinc/49/26/92/591492692.db2.gz ZIURPQJBHQJYIG-HNNXBMFYSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000896608670 591550889 /nfs/dbraw/zinc/55/08/89/591550889.db2.gz HZLJPDLLDWRGFE-HUUCEWRRSA-N 2 0 338.521 1.446 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000897634934 591599642 /nfs/dbraw/zinc/59/96/42/591599642.db2.gz UAXUQLXMKPQRQG-GUDVDZBRSA-N 2 0 347.503 1.888 20 0 EDADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896823292 591620557 /nfs/dbraw/zinc/62/05/57/591620557.db2.gz MNFNKPIUBNYCPW-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)c1cc(=O)[nH]c(N2CC[C@@H]([NH2+]CC3CC[NH+](C)CC3)C2)n1 ZINC000897707116 591627461 /nfs/dbraw/zinc/62/74/61/591627461.db2.gz XQDLQTCJCKZXHO-OAHLLOKOSA-N 2 0 333.480 1.816 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)Cc1ccccc1 ZINC000895458719 591765062 /nfs/dbraw/zinc/76/50/62/591765062.db2.gz RGYZFLLUXPSHOF-IBGZPJMESA-N 2 0 345.487 1.386 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000897356093 591901229 /nfs/dbraw/zinc/90/12/29/591901229.db2.gz MGSBJSVWMUUKAN-ROUUACIJSA-N 2 0 345.487 1.742 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000900116534 591905111 /nfs/dbraw/zinc/90/51/11/591905111.db2.gz QICBHPWWYKRNIS-IBGZPJMESA-N 2 0 331.460 1.008 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccsc1 ZINC000900136548 591913973 /nfs/dbraw/zinc/91/39/73/591913973.db2.gz NSVIUXJORQXALB-ZBFHGGJFSA-N 2 0 325.478 1.314 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900272553 591975619 /nfs/dbraw/zinc/97/56/19/591975619.db2.gz RKEPGJJLVLSRFP-MJGOQNOKSA-N 2 0 349.450 1.361 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902362269 591986886 /nfs/dbraw/zinc/98/68/86/591986886.db2.gz PPMJEKIJFVTCOR-CYBMUJFWSA-N 2 0 345.534 1.703 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCS(=O)(=O)NCc2ccccc2)C1 ZINC000902361364 591987101 /nfs/dbraw/zinc/98/71/01/591987101.db2.gz NFHOVDKSFXLEHW-MRXNPFEDSA-N 2 0 339.505 1.474 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900373876 592000244 /nfs/dbraw/zinc/00/02/44/592000244.db2.gz ZZBMUFCMJIYTQE-AZUAARDMSA-N 2 0 345.487 1.470 20 0 EDADRP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1 ZINC000902498827 592002504 /nfs/dbraw/zinc/00/25/04/592002504.db2.gz GCNLIHWACXYWQO-HZPDHXFCSA-N 2 0 327.432 1.831 20 0 EDADRP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)C12CCC2 ZINC000902514828 592008988 /nfs/dbraw/zinc/00/89/88/592008988.db2.gz QXPPAPLVJACMNN-CVEARBPZSA-N 2 0 335.473 1.950 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000900660884 592083809 /nfs/dbraw/zinc/08/38/09/592083809.db2.gz ACQMQCYQGAYPJL-QGZVFWFLSA-N 2 0 347.459 1.676 20 0 EDADRP CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000900665288 592085432 /nfs/dbraw/zinc/08/54/32/592085432.db2.gz PFCDHJBYRHRESR-HTWSVDAQSA-N 2 0 335.492 1.573 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900685465 592094208 /nfs/dbraw/zinc/09/42/08/592094208.db2.gz TYFMULRWKIJDTJ-OKZBNKHCSA-N 2 0 335.492 1.763 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000900687860 592095453 /nfs/dbraw/zinc/09/54/53/592095453.db2.gz ZIUGUEHEXOVZSS-UHFFFAOYSA-N 2 0 333.480 1.393 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900693437 592096916 /nfs/dbraw/zinc/09/69/16/592096916.db2.gz SDJSNJFRFBGURR-JCYILVPMSA-N 2 0 325.497 1.580 20 0 EDADRP CC[C@@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000903005912 592100186 /nfs/dbraw/zinc/10/01/86/592100186.db2.gz AWGQTCQVDHSGDS-HIFRSBDPSA-N 2 0 336.461 1.851 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900710255 592101248 /nfs/dbraw/zinc/10/12/48/592101248.db2.gz LVKIFZXECCDUKB-NTDBWNAOSA-N 2 0 337.508 1.555 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903057592 592111241 /nfs/dbraw/zinc/11/12/41/592111241.db2.gz DHFOJOCSFLSRQI-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903091227 592118570 /nfs/dbraw/zinc/11/85/70/592118570.db2.gz PNZYMKNDUQLANB-LSDHHAIUSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C)C1CC[NH+](C)CC1 ZINC000903130403 592125154 /nfs/dbraw/zinc/12/51/54/592125154.db2.gz UCNSMMHITHRADZ-JCKWVBRZSA-N 2 0 333.480 1.402 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903277814 592150138 /nfs/dbraw/zinc/15/01/38/592150138.db2.gz CHOUCTLHNIMFFG-RLLQIKCJSA-N 2 0 347.503 1.322 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000900888085 592157805 /nfs/dbraw/zinc/15/78/05/592157805.db2.gz YLOOLBGOBOPEBT-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000900898893 592164496 /nfs/dbraw/zinc/16/44/96/592164496.db2.gz NBSGVLJMESHXQE-PXNSSMCTSA-N 2 0 345.487 1.612 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)C1 ZINC000903441825 592172209 /nfs/dbraw/zinc/17/22/09/592172209.db2.gz BNYUFHBTWJLLTH-ZWKOTPCHSA-N 2 0 330.476 1.048 20 0 EDADRP CCO[C@@H](C)c1noc(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445350 592172928 /nfs/dbraw/zinc/17/29/28/592172928.db2.gz INLLQNOHYYCRQX-ZNMIVQPWSA-N 2 0 337.468 1.412 20 0 EDADRP COc1cc(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc(OC)c1 ZINC000903444540 592173044 /nfs/dbraw/zinc/17/30/44/592173044.db2.gz BTNGBKOIGDIGGO-WBVHZDCISA-N 2 0 333.476 1.949 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903454727 592174088 /nfs/dbraw/zinc/17/40/88/592174088.db2.gz INLSEWSFTUBWOF-MRXNPFEDSA-N 2 0 345.443 1.277 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903494553 592186847 /nfs/dbraw/zinc/18/68/47/592186847.db2.gz JOWNKAJFSASJQY-UKRRQHHQSA-N 2 0 335.448 1.237 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000901024598 592202500 /nfs/dbraw/zinc/20/25/00/592202500.db2.gz YOPZMYUIJVJPSV-BFWZDYSYSA-N 2 0 337.508 1.722 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000904361036 592238540 /nfs/dbraw/zinc/23/85/40/592238540.db2.gz SWRDQXQSYHIWHB-KSSFIOAISA-N 2 0 345.447 1.111 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)o3)CC2)C1 ZINC000904372277 592240133 /nfs/dbraw/zinc/24/01/33/592240133.db2.gz AFVUNMRBWHZFTJ-WMZOPIPTSA-N 3 0 348.491 1.408 20 0 EDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000904379689 592246265 /nfs/dbraw/zinc/24/62/65/592246265.db2.gz BZTMNAQUTSTUPA-BMFZPTHFSA-N 2 0 338.496 1.397 20 0 EDADRP C[C@H]1c2c[nH]nc2CC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000906672388 592253567 /nfs/dbraw/zinc/25/35/67/592253567.db2.gz XQDZINMIEVEXOI-CVEARBPZSA-N 2 0 349.523 1.808 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906677381 592258225 /nfs/dbraw/zinc/25/82/25/592258225.db2.gz CRPJJOWFJZSXNE-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000906679080 592260032 /nfs/dbraw/zinc/26/00/32/592260032.db2.gz SKDQJXOXVYHNKK-JKSUJKDBSA-N 2 0 330.432 1.217 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906681340 592262760 /nfs/dbraw/zinc/26/27/60/592262760.db2.gz VKZKXMQHMHUIEE-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP C[C@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469012 592267859 /nfs/dbraw/zinc/26/78/59/592267859.db2.gz HXIHMAMCTLBHLN-WMZOPIPTSA-N 2 0 340.475 1.913 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904509382 592273777 /nfs/dbraw/zinc/27/37/77/592273777.db2.gz JEDAEKFYTXGUPP-MSOLQXFVSA-N 2 0 346.475 1.859 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000904511114 592274597 /nfs/dbraw/zinc/27/45/97/592274597.db2.gz VNCWXZXJDSBJTE-ZWKOTPCHSA-N 2 0 346.475 1.859 20 0 EDADRP C[C@H](CNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C[NH+]1CCN(C)CC1 ZINC000904581752 592286828 /nfs/dbraw/zinc/28/68/28/592286828.db2.gz HBAWEHQKISPJCK-OAHLLOKOSA-N 2 0 347.507 1.885 20 0 EDADRP c1cc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)ccn1 ZINC000903753693 592296745 /nfs/dbraw/zinc/29/67/45/592296745.db2.gz WVGKDRJTHUTMFE-SFHVURJKSA-N 2 0 330.476 1.358 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C[C@@H](N)C(F)F)n3)c2)CC1 ZINC000904670712 592309393 /nfs/dbraw/zinc/30/93/93/592309393.db2.gz BAJJCHOCKLMBGB-LLVKDONJSA-N 2 0 338.362 1.018 20 0 EDADRP Cc1cnc(OC2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903768873 592309547 /nfs/dbraw/zinc/30/95/47/592309547.db2.gz UDVONIQSHISKAG-FUHWJXTLSA-N 2 0 332.448 1.397 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903860713 592349316 /nfs/dbraw/zinc/34/93/16/592349316.db2.gz UKFFXPWWFZYSHO-ZHALLVOQSA-N 2 0 330.476 1.219 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)CCN(C)c2ccccc2)cnn1C ZINC000903891538 592352438 /nfs/dbraw/zinc/35/24/38/592352438.db2.gz CBPCFVUKAVDNPG-QGZVFWFLSA-N 2 0 329.492 1.914 20 0 EDADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903891059 592352656 /nfs/dbraw/zinc/35/26/56/592352656.db2.gz IWGAIXFMZBOUCF-WELJNPPOSA-N 2 0 348.535 1.582 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C(=O)NCC(C)C)CC2)cnn1C ZINC000903878909 592359507 /nfs/dbraw/zinc/35/95/07/592359507.db2.gz NDVGGNWHWHJBRD-INIZCTEOSA-N 2 0 349.523 1.330 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(CCC[NH+](C)C)CC2)cnn1C ZINC000903898846 592369199 /nfs/dbraw/zinc/36/91/99/592369199.db2.gz QMVCHEWWILVLTB-GOSISDBHSA-N 3 0 335.540 1.900 20 0 EDADRP NC(=O)c1cc([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000903908535 592373401 /nfs/dbraw/zinc/37/34/01/592373401.db2.gz KOUBKJJEKBPMIM-OAHLLOKOSA-N 2 0 339.443 1.534 20 0 EDADRP Cc1nc2cncc(N3CC[NH+](CC4C[C@H]5CC[C@@H](C4)[NH2+]5)CC3)n2n1 ZINC000903914174 592376193 /nfs/dbraw/zinc/37/61/93/592376193.db2.gz GYHBPBQJGDHABF-MQVJKMGUSA-N 2 0 341.463 1.085 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905051988 592380636 /nfs/dbraw/zinc/38/06/36/592380636.db2.gz YHUWHSKEOXKHEY-RTBURBONSA-N 2 0 336.476 1.519 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCNC(=O)OC(C)(C)C)cnn1C ZINC000903929453 592381780 /nfs/dbraw/zinc/38/17/80/592381780.db2.gz GBWGWCYKNZPTJU-AWEZNQCLSA-N 2 0 339.484 1.302 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903933882 592386285 /nfs/dbraw/zinc/38/62/85/592386285.db2.gz XOWVHSQDEYVZPT-SJORKVTESA-N 3 0 332.496 1.414 20 0 EDADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905029194 592386435 /nfs/dbraw/zinc/38/64/35/592386435.db2.gz ZTXJPUYAUJMJAR-SFHVURJKSA-N 2 0 336.476 1.520 20 0 EDADRP [NH3+]CCN(Cc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903953157 592394475 /nfs/dbraw/zinc/39/44/75/592394475.db2.gz BDCCAFVYWPLHGB-HNNXBMFYSA-N 2 0 338.883 1.298 20 0 EDADRP CCC1([NH+]2CCC2)CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903954087 592395221 /nfs/dbraw/zinc/39/52/21/592395221.db2.gz PUZWNGOMBCRMIQ-INIZCTEOSA-N 2 0 332.496 1.653 20 0 EDADRP COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c[nH]1 ZINC000903980785 592401535 /nfs/dbraw/zinc/40/15/35/592401535.db2.gz ZUTHJFDPPSJEFL-IYBDPMFKSA-N 2 0 332.448 1.202 20 0 EDADRP COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)[nH]1 ZINC000903980716 592401763 /nfs/dbraw/zinc/40/17/63/592401763.db2.gz YMOQQKJPUZTUHC-IYBDPMFKSA-N 2 0 332.448 1.202 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CC1(CO)CCCC1)N1CC[NH+](C)CC1 ZINC000905111184 592412048 /nfs/dbraw/zinc/41/20/48/592412048.db2.gz QKJOJKVLNSJLPJ-ROUUACIJSA-N 2 0 341.540 1.152 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904093527 592429847 /nfs/dbraw/zinc/42/98/47/592429847.db2.gz ZSFHPTQAEFIJCL-IVMMDQJWSA-N 2 0 328.416 2.000 20 0 EDADRP COCCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](C)CC1 ZINC000908293898 592435157 /nfs/dbraw/zinc/43/51/57/592435157.db2.gz KHSBKSGZHRQRMR-WMZOPIPTSA-N 2 0 337.508 1.963 20 0 EDADRP O[C@@H](CCC1(O)CCC1)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000905194350 592446883 /nfs/dbraw/zinc/44/68/83/592446883.db2.gz KBPGUZCDZJFBBF-SFHVURJKSA-N 2 0 333.476 1.944 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904308038 592473522 /nfs/dbraw/zinc/47/35/22/592473522.db2.gz JZVLXPKOSXHWDC-GOSISDBHSA-N 2 0 325.497 1.631 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905357243 592505419 /nfs/dbraw/zinc/50/54/19/592505419.db2.gz TXDVOWWQVNBIMM-HNNXBMFYSA-N 2 0 329.510 1.026 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000905399828 592521420 /nfs/dbraw/zinc/52/14/20/592521420.db2.gz JIZHMAMLUQCMGI-IBGZPJMESA-N 2 0 344.503 1.433 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905503254 592546174 /nfs/dbraw/zinc/54/61/74/592546174.db2.gz OESYEJQTWBDUTA-ZKXLYKBJSA-N 2 0 328.497 1.089 20 0 EDADRP CCc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n2ncnc2n1 ZINC000905700529 592614736 /nfs/dbraw/zinc/61/47/36/592614736.db2.gz OSSRZJCPFKGXHN-IYBDPMFKSA-N 2 0 341.463 1.092 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000905931279 592687403 /nfs/dbraw/zinc/68/74/03/592687403.db2.gz KSCNGJDBZQBGRC-RDJZCZTQSA-N 2 0 328.497 1.067 20 0 EDADRP C[NH+](C)CCN(C(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1 ZINC000906216546 592760082 /nfs/dbraw/zinc/76/00/82/592760082.db2.gz HNUOYXOISWKWAK-UHFFFAOYSA-N 2 0 341.459 1.557 20 0 EDADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221867 592761101 /nfs/dbraw/zinc/76/11/01/592761101.db2.gz JDUWHUAWLSCTBG-HOTGVXAUSA-N 2 0 331.464 1.047 20 0 EDADRP COCCN(Cc1cn(CCC(C)=O)nn1)CC1CC[NH+](C)CC1 ZINC000906320705 592794606 /nfs/dbraw/zinc/79/46/06/592794606.db2.gz MNVVNXUIMWLFDW-UHFFFAOYSA-N 2 0 337.468 1.047 20 0 EDADRP Cc1nc2cc(NC(=O)[C@@H](C(C)C)[NH+](C)C)ccc2n1C(CO)CO ZINC000909300203 592794793 /nfs/dbraw/zinc/79/47/93/592794793.db2.gz ZWGHMHDKAIJUCS-QGZVFWFLSA-N 2 0 348.447 1.395 20 0 EDADRP C[C@@H]1CN(Cc2cn(-c3ccn(C)n3)nn2)CCN1c1cc[nH+]cc1 ZINC000906323340 592795518 /nfs/dbraw/zinc/79/55/18/592795518.db2.gz ADEPHZKIGJDQLG-CQSZACIVSA-N 2 0 338.419 1.107 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000906435661 592817554 /nfs/dbraw/zinc/81/75/54/592817554.db2.gz UNHCRIXCQOYTAR-UHFFFAOYSA-N 2 0 336.524 1.204 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906644088 592865349 /nfs/dbraw/zinc/86/53/49/592865349.db2.gz HLFLITPRWMNUMV-CQSZACIVSA-N 2 0 332.448 1.465 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000906645389 592865628 /nfs/dbraw/zinc/86/56/28/592865628.db2.gz LUMJIRUWZGDJBK-CVEARBPZSA-N 2 0 344.459 1.562 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000906645399 592865679 /nfs/dbraw/zinc/86/56/79/592865679.db2.gz LUMJIRUWZGDJBK-JKSUJKDBSA-N 2 0 344.459 1.562 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000911079265 592921056 /nfs/dbraw/zinc/92/10/56/592921056.db2.gz WHMRXTMPOHDCQW-HUUCEWRRSA-N 2 0 340.512 1.117 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911188742 592945475 /nfs/dbraw/zinc/94/54/75/592945475.db2.gz VZVXSIBRQGXUOD-CQSZACIVSA-N 2 0 340.512 1.056 20 0 EDADRP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000911581989 592954301 /nfs/dbraw/zinc/95/43/01/592954301.db2.gz XHAPGZOSCJPZOB-KUPNBSADSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCCCC1 ZINC000911244635 592966796 /nfs/dbraw/zinc/96/67/96/592966796.db2.gz ZNPQGUXFDCCCGB-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP [NH3+]CCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911630629 592969526 /nfs/dbraw/zinc/96/95/26/592969526.db2.gz XLRFYPFHFBVFIF-UHFFFAOYSA-N 2 0 326.238 1.145 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2cccc3c2OCC[NH2+]C3)cc1 ZINC000911734572 592992447 /nfs/dbraw/zinc/99/24/47/592992447.db2.gz OFBHVSJFEYJTSI-UHFFFAOYSA-N 2 0 325.412 1.600 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000911869666 593024469 /nfs/dbraw/zinc/02/44/69/593024469.db2.gz ZMGMOOJHIBEJOX-VGMNTSGFSA-N 2 0 331.460 1.851 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[NH2+]CC2(C)C)cc1 ZINC000911847763 593025769 /nfs/dbraw/zinc/02/57/69/593025769.db2.gz OQYSLZUDOPYOLB-UHFFFAOYSA-N 2 0 333.476 1.770 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000888379162 593039181 /nfs/dbraw/zinc/03/91/81/593039181.db2.gz LVJSNABBZBZNQG-GJZGRUSLSA-N 2 0 331.464 1.502 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccccc2OC1 ZINC000802406626 593250521 /nfs/dbraw/zinc/25/05/21/593250521.db2.gz XEWGBUPNHCZTGD-KRWDZBQOSA-N 2 0 348.491 1.515 20 0 EDADRP CC(C)[C@@H]1N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025446 593387868 /nfs/dbraw/zinc/38/78/68/593387868.db2.gz CGYXEJFWDDQQFZ-VXIBKDFQSA-N 2 0 335.492 1.776 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896658 593646746 /nfs/dbraw/zinc/64/67/46/593646746.db2.gz NYOJPDHCEBASFX-JSGCOSHPSA-N 2 0 344.839 1.488 20 0 EDADRP CC(C)S(=O)(=O)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817930371 593649749 /nfs/dbraw/zinc/64/97/49/593649749.db2.gz BWKZTHFMYSKMGO-NVXWUHKLSA-N 2 0 338.473 1.655 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000818610006 593707643 /nfs/dbraw/zinc/70/76/43/593707643.db2.gz UKGRYEYOKVBWJU-INIZCTEOSA-N 2 0 346.475 1.534 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819032423 593734754 /nfs/dbraw/zinc/73/47/54/593734754.db2.gz FCQQHDRGOVZFID-XJKSGUPXSA-N 2 0 345.409 1.964 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)CN(C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097132 593738715 /nfs/dbraw/zinc/73/87/15/593738715.db2.gz XPPPGCBBYTXBCI-AEFFLSMTSA-N 2 0 336.476 1.858 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)c1ccc(Br)cc1 ZINC000819211010 593744427 /nfs/dbraw/zinc/74/44/27/593744427.db2.gz PKLBASHLDHPBQF-CQSZACIVSA-N 2 0 331.254 1.650 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1(C)C ZINC000819287522 593748401 /nfs/dbraw/zinc/74/84/01/593748401.db2.gz OMUNKFQWJKGGQE-INIZCTEOSA-N 2 0 325.884 1.989 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000820100569 593791143 /nfs/dbraw/zinc/79/11/43/593791143.db2.gz NWDTYZBYUYDJBI-QXCZDIPSSA-N 2 0 341.455 1.096 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824427786 594009566 /nfs/dbraw/zinc/00/95/66/594009566.db2.gz OWDAKVXIULVDNZ-LSDHHAIUSA-N 2 0 343.479 1.401 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824429458 594009661 /nfs/dbraw/zinc/00/96/61/594009661.db2.gz XHPYALXESMISGR-LSDHHAIUSA-N 2 0 343.479 1.401 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824546700 594036239 /nfs/dbraw/zinc/03/62/39/594036239.db2.gz KASYHDPJLCOAIV-CQSZACIVSA-N 2 0 343.479 1.543 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824573429 594040862 /nfs/dbraw/zinc/04/08/62/594040862.db2.gz ZGKRGDZSCKSVJP-AWEZNQCLSA-N 2 0 343.479 1.543 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CN1C1CC1 ZINC000824892537 594091817 /nfs/dbraw/zinc/09/18/17/594091817.db2.gz JZTNIFLNXRETRW-OCCSQVGLSA-N 2 0 328.420 1.460 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4CC[NH2+][C@H]4C)n3)cn2)CC1 ZINC000822956667 594128474 /nfs/dbraw/zinc/12/84/74/594128474.db2.gz NASLTYUJADBAFI-DZGCQCFKSA-N 2 0 342.447 1.739 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459706 594188593 /nfs/dbraw/zinc/18/85/93/594188593.db2.gz MANYNOCBDKHSLB-HUUCEWRRSA-N 2 0 343.479 1.543 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1SCCS1 ZINC000823411354 594198918 /nfs/dbraw/zinc/19/89/18/594198918.db2.gz NDSRIEYXQUPGHT-UHFFFAOYSA-N 2 0 348.582 1.708 20 0 EDADRP COC(=O)[C@]12C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1COCC2 ZINC000825748772 594237222 /nfs/dbraw/zinc/23/72/22/594237222.db2.gz JASAEUQAWBLDNG-KBXCAEBGSA-N 2 0 342.399 1.279 20 0 EDADRP CC(C)[C@@H]1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000827892082 594298842 /nfs/dbraw/zinc/29/88/42/594298842.db2.gz GNVASGUKXDYGPF-TVFCKZIOSA-N 2 0 339.524 1.635 20 0 EDADRP CC1(C)[C@H](O)CC[NH+]1Cc1cncc(C[N@H+]2CC[C@@H](O)C2(C)C)c1 ZINC000829973434 594304600 /nfs/dbraw/zinc/30/46/00/594304600.db2.gz FEETXIFGHYMOFB-IAGOWNOFSA-N 2 0 333.476 1.772 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CC[S@@](C)=O)CC2)CC1 ZINC000828012894 594321756 /nfs/dbraw/zinc/32/17/56/594321756.db2.gz ZDAJKUVDCRQSHB-JOCHJYFZSA-N 2 0 329.554 1.493 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCCCC[NH3+] ZINC000830345647 594379884 /nfs/dbraw/zinc/37/98/84/594379884.db2.gz LLQVLLQLBXNJBC-KRWDZBQOSA-N 2 0 332.492 1.832 20 0 EDADRP C[C@H](C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000829272901 594590673 /nfs/dbraw/zinc/59/06/73/594590673.db2.gz MNYFKNWZRCTORH-BRWVUGGUSA-N 2 0 337.508 1.819 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000826999993 594620501 /nfs/dbraw/zinc/62/05/01/594620501.db2.gz FXUYAEYHCVEJHG-INIZCTEOSA-N 2 0 327.388 1.602 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)NCC[NH+]2CCSCC2)cc(Cl)n1 ZINC000829478724 594622642 /nfs/dbraw/zinc/62/26/42/594622642.db2.gz GDYKWMKJLXWWOX-ZDUSSCGKSA-N 2 0 342.896 1.598 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCOCC[NH+](C)C)cc(Cl)n1 ZINC000831998675 594717993 /nfs/dbraw/zinc/71/79/93/594717993.db2.gz PFZILGKOCQHVDZ-ZDUSSCGKSA-N 2 0 328.844 1.128 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H]2CC(C(=O)OC)=C(C)O2)CC1 ZINC000832543276 594757784 /nfs/dbraw/zinc/75/77/84/594757784.db2.gz DZXCGMOMBKGXKJ-OAHLLOKOSA-N 2 0 339.480 1.228 20 0 EDADRP Cc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c(Br)n1 ZINC000841151571 594859448 /nfs/dbraw/zinc/85/94/48/594859448.db2.gz IRTOZMWEYVHCJF-SNVBAGLBSA-N 2 0 342.241 1.259 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+](C2CCC2)CC1 ZINC000836283752 594947046 /nfs/dbraw/zinc/94/70/46/594947046.db2.gz NHTKQYXZMHAVEF-DLBZAZTESA-N 2 0 336.480 1.166 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790496 594953265 /nfs/dbraw/zinc/95/32/65/594953265.db2.gz YIPDEHFSPLHLME-HOTGVXAUSA-N 2 0 336.480 1.025 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841928642 594983730 /nfs/dbraw/zinc/98/37/30/594983730.db2.gz QPKAHIJRIABAAK-MSOLQXFVSA-N 2 0 330.476 1.814 20 0 EDADRP COc1cc(-c2noc(C(C)(C)C[NH3+])n2)ccc1OCC[NH+](C)C ZINC000843201046 595032347 /nfs/dbraw/zinc/03/23/47/595032347.db2.gz NLBSFAMEPLOAER-UHFFFAOYSA-N 2 0 334.420 1.922 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C4CC[NH2+]CC4)n3)cn2)CC1 ZINC000843209241 595036676 /nfs/dbraw/zinc/03/66/76/595036676.db2.gz YLZFFEKVQZGXMJ-UHFFFAOYSA-N 2 0 342.447 1.741 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)C[NH2+]C)n3)cn2)CC1 ZINC000843208856 595036709 /nfs/dbraw/zinc/03/67/09/595036709.db2.gz VURUFTSOKVDZCF-CYBMUJFWSA-N 2 0 330.436 1.596 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000842209663 595040163 /nfs/dbraw/zinc/04/01/63/595040163.db2.gz HHRNEFRKTNQTFM-FHERZECASA-N 2 0 338.496 1.095 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843263554 595057617 /nfs/dbraw/zinc/05/76/17/595057617.db2.gz YEAKREMPLSURLR-HNNXBMFYSA-N 2 0 340.512 1.248 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000843329427 595075849 /nfs/dbraw/zinc/07/58/49/595075849.db2.gz JFTAIVZGXALKFE-ZDUSSCGKSA-N 2 0 341.358 1.516 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362979 595087793 /nfs/dbraw/zinc/08/77/93/595087793.db2.gz WASJHOARYJXVRB-JKSUJKDBSA-N 2 0 339.480 1.300 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844172443 595291044 /nfs/dbraw/zinc/29/10/44/595291044.db2.gz YAAWODHWFMWIAI-SFHVURJKSA-N 2 0 333.476 1.912 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CO[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000844177848 595293406 /nfs/dbraw/zinc/29/34/06/595293406.db2.gz HYCYHLBUHJVQGE-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000846665128 595295838 /nfs/dbraw/zinc/29/58/38/595295838.db2.gz GAJWEYMXQNDFET-LSDHHAIUSA-N 2 0 345.443 1.924 20 0 EDADRP [NH3+]CCCCCCC[NH+]1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000844220666 595306243 /nfs/dbraw/zinc/30/62/43/595306243.db2.gz JEFBTIWDCCRJCF-UHFFFAOYSA-N 2 0 338.540 1.916 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@]2(CCCN2C(=O)OC(C)(C)C)C1 ZINC000846995888 595348269 /nfs/dbraw/zinc/34/82/69/595348269.db2.gz PNLYEKUBTSICSN-YJBOKZPZSA-N 2 0 341.496 1.774 20 0 EDADRP O=C1O[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000848721173 595435788 /nfs/dbraw/zinc/43/57/88/595435788.db2.gz IMYSUHWWFNCOGA-OGWOLHLISA-N 2 0 343.427 1.815 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848894328 595464409 /nfs/dbraw/zinc/46/44/09/595464409.db2.gz CMEDMLWPSMVQOK-XITLMJRVSA-N 2 0 349.475 1.829 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[S@](C)=O)cc1 ZINC000849051102 595475382 /nfs/dbraw/zinc/47/53/82/595475382.db2.gz WRVWYTZBEAGIJP-MWTRTKDXSA-N 2 0 336.505 1.663 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1OC ZINC000849068531 595477432 /nfs/dbraw/zinc/47/74/32/595477432.db2.gz NWFJUDRYZYHYSL-HNNXBMFYSA-N 2 0 334.464 1.845 20 0 EDADRP O=C([C@@H]1[NH2+]CC12CCOCC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000852778505 595539031 /nfs/dbraw/zinc/53/90/31/595539031.db2.gz OSFRJFGTKVRVST-SFHVURJKSA-N 2 0 343.471 1.490 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849486333 595547802 /nfs/dbraw/zinc/54/78/02/595547802.db2.gz GMVNWYXRAILDIK-QZTJIDSGSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852857965 595578968 /nfs/dbraw/zinc/57/89/68/595578968.db2.gz LKJCNGQKMJLYSI-RHSMWYFYSA-N 2 0 344.459 1.781 20 0 EDADRP CC1(C)CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852866134 595586037 /nfs/dbraw/zinc/58/60/37/595586037.db2.gz FSYLELOZAVNNQE-HNNXBMFYSA-N 2 0 330.432 1.213 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849597100 595586516 /nfs/dbraw/zinc/58/65/16/595586516.db2.gz RAGDADVKLSHTQP-OIISXLGYSA-N 2 0 335.496 1.300 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598327 595588150 /nfs/dbraw/zinc/58/81/50/595588150.db2.gz ZNZUFWPIYAXFAQ-CGTJXYLNSA-N 2 0 349.523 1.692 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884014 595597675 /nfs/dbraw/zinc/59/76/75/595597675.db2.gz CNJTUNBIFULWOS-HOCLYGCPSA-N 2 0 330.432 1.213 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849613615 595597656 /nfs/dbraw/zinc/59/76/56/595597656.db2.gz UKTGIIIDEXRWFE-SQNIBIBYSA-N 2 0 347.507 1.444 20 0 EDADRP CN(CCC[NH2+]Cc1ncc(C2OCCO2)s1)CC[NH+](C)C ZINC000857784092 595611337 /nfs/dbraw/zinc/61/13/37/595611337.db2.gz PXVYUOHOGRAZAD-UHFFFAOYSA-N 2 0 328.482 1.162 20 0 EDADRP CN(CCC[NH2+]Cc1cccc(S(C)(=O)=O)c1)CC[NH+](C)C ZINC000857784325 595611622 /nfs/dbraw/zinc/61/16/22/595611622.db2.gz WRCYSNZNUKETDU-UHFFFAOYSA-N 2 0 327.494 1.063 20 0 EDADRP c1n[nH]c2c1CCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000857851294 595632484 /nfs/dbraw/zinc/63/24/84/595632484.db2.gz LZNMDZFCXLHBRF-GOSISDBHSA-N 2 0 340.475 1.984 20 0 EDADRP C[C@@H](CNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000853466222 595759285 /nfs/dbraw/zinc/75/92/85/595759285.db2.gz WRJLNDDIXPSZAZ-RDJZCZTQSA-N 2 0 338.496 1.101 20 0 EDADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858635113 595851797 /nfs/dbraw/zinc/85/17/97/595851797.db2.gz VDAOZXDLCAYIBB-IBGZPJMESA-N 2 0 326.444 1.802 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000851673387 595879315 /nfs/dbraw/zinc/87/93/15/595879315.db2.gz AIIDDPOAFWEKEE-JLSDUUJJSA-N 2 0 346.475 1.521 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854231947 596009363 /nfs/dbraw/zinc/00/93/63/596009363.db2.gz PRRRBIFLVUDQRX-JQFCIGGWSA-N 2 0 332.448 1.448 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@@](C)=O)C2)ccn1 ZINC000856584916 596022877 /nfs/dbraw/zinc/02/28/77/596022877.db2.gz URFOFUXPVJHEPT-KSFYIVLOSA-N 2 0 325.478 1.365 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N(C)C[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000861619779 596049452 /nfs/dbraw/zinc/04/94/52/596049452.db2.gz NHFCPWPVZDONDP-MORSLUCNSA-N 2 0 346.475 1.962 20 0 EDADRP COC(=O)c1cc(CNC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n2c1CCCC2 ZINC000856769153 596077122 /nfs/dbraw/zinc/07/71/22/596077122.db2.gz IMGCLYIGNOTRNA-GDBMZVCRSA-N 2 0 347.459 1.564 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(N3CCOC3=O)CC2)CC1 ZINC000852721601 596232926 /nfs/dbraw/zinc/23/29/26/596232926.db2.gz TXGRIRQSJQANTI-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP CO[C@H]1C[C@H]2CN(C(=O)Cn3cncc3C)Cc3cccnc3N2C1 ZINC000870535262 596274325 /nfs/dbraw/zinc/27/43/25/596274325.db2.gz KPHCHYUQYGMTER-HOTGVXAUSA-N 2 0 341.415 1.223 20 0 EDADRP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000866667653 596285924 /nfs/dbraw/zinc/28/59/24/596285924.db2.gz UAGLALLUTFCPII-RCCFBDPRSA-N 2 0 331.460 1.546 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1 ZINC000866714189 596306949 /nfs/dbraw/zinc/30/69/49/596306949.db2.gz IEJZMAKZKWETCI-LLLHUVSDSA-N 2 0 331.391 1.680 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)cc1 ZINC000866785194 596344727 /nfs/dbraw/zinc/34/47/27/596344727.db2.gz SLENSDWDIDCRNI-OAHLLOKOSA-N 2 0 339.505 1.805 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870865824 596382866 /nfs/dbraw/zinc/38/28/66/596382866.db2.gz LKSGOQUNJLEHHW-QAQDUYKDSA-N 2 0 330.476 1.890 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c2ccccc2)CC1 ZINC000870879823 596387537 /nfs/dbraw/zinc/38/75/37/596387537.db2.gz KBRNZZOHTXJAEP-RMJJICAUSA-N 2 0 342.487 1.219 20 0 EDADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCC1)c1cccc(Br)c1 ZINC000870955819 596417810 /nfs/dbraw/zinc/41/78/10/596417810.db2.gz YTQPBJVSFOCVSB-LBPRGKRZSA-N 2 0 326.238 1.837 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H](C[NH3+])OC)cc2F)CC1 ZINC000871012083 596438222 /nfs/dbraw/zinc/43/82/22/596438222.db2.gz HCEOFOJLWYDRCF-AWEZNQCLSA-N 2 0 338.427 1.270 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000863582581 596625793 /nfs/dbraw/zinc/62/57/93/596625793.db2.gz OHYZHVWCRJGTSV-CVEARBPZSA-N 2 0 341.496 1.869 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000863642050 596640778 /nfs/dbraw/zinc/64/07/78/596640778.db2.gz IOWLYVIPPXVSFP-DLBZAZTESA-N 2 0 341.415 1.320 20 0 EDADRP C[N@@H+]1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCC1(C)C ZINC000868167561 596708246 /nfs/dbraw/zinc/70/82/46/596708246.db2.gz RZIQXOUIMPMXHA-CQSZACIVSA-N 2 0 331.464 1.846 20 0 EDADRP CO[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(F)(F)F ZINC000870017962 596710314 /nfs/dbraw/zinc/71/03/14/596710314.db2.gz VELJXXLUVKKDBL-JHJVBQTASA-N 2 0 339.402 1.152 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3c[nH]nc3c2)C[C@H]1C[NH+](C)C ZINC000870019307 596710754 /nfs/dbraw/zinc/71/07/54/596710754.db2.gz DHAJYZJODDVAAW-IAGOWNOFSA-N 2 0 343.475 1.303 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCc2nccs2)C[C@H]1C[NH+](C)C ZINC000870019396 596710811 /nfs/dbraw/zinc/71/08/11/596710811.db2.gz WXCHQRIDOIZKRQ-HUUCEWRRSA-N 2 0 338.521 1.664 20 0 EDADRP Cn1nc2c(c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CCCC2 ZINC000870020428 596711391 /nfs/dbraw/zinc/71/13/91/596711391.db2.gz PPNYUCVPPOUMEX-HUUCEWRRSA-N 2 0 347.507 1.110 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3[nH]ccc3c2)C[C@H]1C[NH+](C)C ZINC000870021541 596712160 /nfs/dbraw/zinc/71/21/60/596712160.db2.gz HPINSZXLVYKBMD-IAGOWNOFSA-N 2 0 328.460 1.979 20 0 EDADRP Cc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1O ZINC000870021731 596712630 /nfs/dbraw/zinc/71/26/30/596712630.db2.gz JBFYODGYUKUAEK-IAGOWNOFSA-N 2 0 333.476 1.441 20 0 EDADRP COc1ccsc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022272 596712657 /nfs/dbraw/zinc/71/26/57/596712657.db2.gz QIEUHFGDCMJJTK-CHWSQXEVSA-N 2 0 325.478 1.568 20 0 EDADRP Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cnn1CC(C)C ZINC000870022162 596712667 /nfs/dbraw/zinc/71/26/67/596712667.db2.gz PTAQUTUCCCFPQN-IAGOWNOFSA-N 2 0 349.523 1.659 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2cccc(C=O)c2)C[C@H]1C[NH+](C)C ZINC000870022221 596712760 /nfs/dbraw/zinc/71/27/60/596712760.db2.gz ZBSDSLMGVOIDPT-IAGOWNOFSA-N 2 0 347.459 1.076 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(N)nc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000870023202 596713308 /nfs/dbraw/zinc/71/33/08/596713308.db2.gz NROPOXBIDVAJIC-CHWSQXEVSA-N 2 0 339.871 1.129 20 0 EDADRP CCn1c(C)cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870024450 596714037 /nfs/dbraw/zinc/71/40/37/596714037.db2.gz PDWXSOSQAVUGTM-IAGOWNOFSA-N 2 0 334.508 1.936 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185848 596715306 /nfs/dbraw/zinc/71/53/06/596715306.db2.gz GWIAQLSRWXZUOV-YESZJQIVSA-N 2 0 332.448 1.734 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000868190042 596716815 /nfs/dbraw/zinc/71/68/15/596716815.db2.gz HXOGEQGPUUBLPQ-ZDUSSCGKSA-N 2 0 342.394 1.269 20 0 EDADRP C[C@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1=CC[N@H+](C)CC1 ZINC000868239680 596741077 /nfs/dbraw/zinc/74/10/77/596741077.db2.gz XDMHYWHODWCPIE-AFAVFJNCSA-N 2 0 342.443 1.206 20 0 EDADRP CCOc1ncccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866041593 596769923 /nfs/dbraw/zinc/76/99/23/596769923.db2.gz WLVWXNCRMRORGV-HUUCEWRRSA-N 2 0 349.479 1.683 20 0 EDADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156474 596815792 /nfs/dbraw/zinc/81/57/92/596815792.db2.gz KBRJHJPVZTWPGN-WBVHZDCISA-N 2 0 345.553 1.935 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000872191231 596827928 /nfs/dbraw/zinc/82/79/28/596827928.db2.gz XUEHTBQNRIPXLQ-HOTGVXAUSA-N 2 0 340.512 1.153 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@H](O)CC(C)(C)O)[C@@H](c2ccccc2)C1 ZINC000872198693 596831445 /nfs/dbraw/zinc/83/14/45/596831445.db2.gz XUFFNFOQXCEDSY-RTBURBONSA-N 2 0 349.519 1.477 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000872197967 596831585 /nfs/dbraw/zinc/83/15/85/596831585.db2.gz HKIOBXUBLSSYER-IBGZPJMESA-N 2 0 349.519 1.306 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872286426 596868077 /nfs/dbraw/zinc/86/80/77/596868077.db2.gz HLGQZDOFOOHIAF-SJORKVTESA-N 2 0 345.491 1.357 20 0 EDADRP Cc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2cnn(C)c2n1 ZINC000872620715 596994932 /nfs/dbraw/zinc/99/49/32/596994932.db2.gz CWHWNBGWUXKBEB-HUUCEWRRSA-N 2 0 330.480 1.452 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000874431272 597075026 /nfs/dbraw/zinc/07/50/26/597075026.db2.gz LSBXCNPATWNTMI-LESCRADOSA-N 2 0 346.475 1.869 20 0 EDADRP CS[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000876062043 597075150 /nfs/dbraw/zinc/07/51/50/597075150.db2.gz HAUVRSTYEQQHGG-SHTZXODSSA-N 2 0 330.542 1.795 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)c1cccc(F)c1 ZINC000874433222 597076626 /nfs/dbraw/zinc/07/66/26/597076626.db2.gz WBHWNCASWRIPSF-YESZJQIVSA-N 2 0 334.439 1.964 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000874432678 597076727 /nfs/dbraw/zinc/07/67/27/597076727.db2.gz PJIFEIUDGYJWAG-ARFHVFGLSA-N 2 0 332.448 1.952 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000873112696 597200253 /nfs/dbraw/zinc/20/02/53/597200253.db2.gz ZKDLHZOHOOYCTH-CVEARBPZSA-N 2 0 330.432 1.040 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232154 597235406 /nfs/dbraw/zinc/23/54/06/597235406.db2.gz LVSRXMLRDBPUCK-WMLDXEAASA-N 2 0 348.491 1.204 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873309816 597252943 /nfs/dbraw/zinc/25/29/43/597252943.db2.gz FTUZWAFZXITWBC-MRXNPFEDSA-N 2 0 348.495 1.879 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)C(C)(C)CC2)C[C@H](C)O1 ZINC000875042068 597256429 /nfs/dbraw/zinc/25/64/29/597256429.db2.gz JTHSMZUICODFIH-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CCC1(C)C ZINC000875077689 597272742 /nfs/dbraw/zinc/27/27/42/597272742.db2.gz HJCTWUBEYBXVFE-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2nccs2)C[C@H]1C[NH+](C)C ZINC000875114718 597288469 /nfs/dbraw/zinc/28/84/69/597288469.db2.gz CMOWXGJOHQRUDP-CHWSQXEVSA-N 2 0 325.482 1.024 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876737930 597314612 /nfs/dbraw/zinc/31/46/12/597314612.db2.gz XCRZBSQSIJRJLD-DJIMGWMZSA-N 2 0 347.507 1.966 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000876773393 597334004 /nfs/dbraw/zinc/33/40/04/597334004.db2.gz QBWRKIQULJQUEN-IAGOWNOFSA-N 2 0 347.507 1.920 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000875240825 597348402 /nfs/dbraw/zinc/34/84/02/597348402.db2.gz SKANMOYKBXEZSG-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000876868886 597363733 /nfs/dbraw/zinc/36/37/33/597363733.db2.gz NEDBUJLGTMIUPN-GVDBMIGSSA-N 2 0 345.491 1.578 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876875889 597365674 /nfs/dbraw/zinc/36/56/74/597365674.db2.gz DIBPSXGWHHWEEV-ZWKOTPCHSA-N 2 0 335.467 1.957 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C[NH2+]CCO1 ZINC000876881655 597368730 /nfs/dbraw/zinc/36/87/30/597368730.db2.gz MEYZFXQNNVMYNI-IBGZPJMESA-N 2 0 347.459 1.268 20 0 EDADRP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876900870 597377930 /nfs/dbraw/zinc/37/79/30/597377930.db2.gz SJWWFXFWKSEPCL-XOYOTBSWSA-N 2 0 333.451 1.961 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921298 597385461 /nfs/dbraw/zinc/38/54/61/597385461.db2.gz ASMFTWTWEWABJR-IAGOWNOFSA-N 3 0 348.466 1.044 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876960815 597397322 /nfs/dbraw/zinc/39/73/22/597397322.db2.gz NKFHUJPLEDUIGS-BOYOMHKPSA-N 2 0 343.471 1.425 20 0 EDADRP CCOC(=O)N1CCC(C)(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000876966125 597400134 /nfs/dbraw/zinc/40/01/34/597400134.db2.gz NONYFMWDNJPEGA-HNNXBMFYSA-N 2 0 327.469 1.291 20 0 EDADRP C[C@@H](C[C@H]1CCOC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875377025 597406425 /nfs/dbraw/zinc/40/64/25/597406425.db2.gz MRKUITHCMPCDPB-YLFCFFPRSA-N 2 0 340.512 1.182 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875407826 597416070 /nfs/dbraw/zinc/41/60/70/597416070.db2.gz ONCMQYVGURHLOG-GPANFISMSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000877142898 597441956 /nfs/dbraw/zinc/44/19/56/597441956.db2.gz AARFQYFMTMINFR-NXWXRZEISA-N 3 0 346.519 1.520 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000877200637 597460106 /nfs/dbraw/zinc/46/01/06/597460106.db2.gz NPELAPGRMAKFMN-MRXNPFEDSA-N 2 0 348.495 1.443 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000877206313 597461590 /nfs/dbraw/zinc/46/15/90/597461590.db2.gz GLDSPGWOWJCPCW-OAHLLOKOSA-N 2 0 333.480 1.672 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000877231655 597470678 /nfs/dbraw/zinc/47/06/78/597470678.db2.gz QCIXNMMEVNUFLF-GOSISDBHSA-N 2 0 333.476 1.700 20 0 EDADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC[NH2+]CC1 ZINC000877255601 597481094 /nfs/dbraw/zinc/48/10/94/597481094.db2.gz YVCSNJSIQUXDSA-INIZCTEOSA-N 2 0 345.491 1.098 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)CCC3C[NH2+]C3)cc2F)CC1 ZINC000877265805 597483198 /nfs/dbraw/zinc/48/31/98/597483198.db2.gz JLNJQRDDOUQUPM-UHFFFAOYSA-N 2 0 334.439 1.906 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877267370 597483623 /nfs/dbraw/zinc/48/36/23/597483623.db2.gz SWKNXICNOVAEKU-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000877391139 597507897 /nfs/dbraw/zinc/50/78/97/597507897.db2.gz NIXIPCREERNQLA-ICSRJNTNSA-N 2 0 342.487 1.843 20 0 EDADRP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877404927 597510602 /nfs/dbraw/zinc/51/06/02/597510602.db2.gz CYFZQXPEXFFBCX-DLBZAZTESA-N 2 0 345.491 1.850 20 0 EDADRP CO[C@H](C[NH+]1CCC(N2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000877745876 597552650 /nfs/dbraw/zinc/55/26/50/597552650.db2.gz BWZYSBBQAZOUDC-GOSISDBHSA-N 2 0 325.497 1.140 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000878324348 597595414 /nfs/dbraw/zinc/59/54/14/597595414.db2.gz LLKSQUVBIOGGJC-FGTMMUONSA-N 2 0 339.524 1.000 20 0 EDADRP CC(C)C[N@@H+](CC(=O)NC[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702267 597694563 /nfs/dbraw/zinc/69/45/63/597694563.db2.gz IKFAJKGVXXHOQO-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)C[N@H+](C[C@@H](O)COC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702677 597694665 /nfs/dbraw/zinc/69/46/65/597694665.db2.gz UOTYHNSECOODPA-RTBURBONSA-N 2 0 342.524 1.843 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000883448267 597750878 /nfs/dbraw/zinc/75/08/78/597750878.db2.gz ZCCNWOYZLUJAEO-QGZVFWFLSA-N 2 0 330.476 1.187 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000883450051 597752316 /nfs/dbraw/zinc/75/23/16/597752316.db2.gz ZKCJEVOOTQUNRW-MSOLQXFVSA-N 2 0 332.492 1.479 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)CC1 ZINC000879997686 597803835 /nfs/dbraw/zinc/80/38/35/597803835.db2.gz RDGMYIUWQSCMAX-FQEVSTJZSA-N 2 0 327.472 1.787 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883574796 597808800 /nfs/dbraw/zinc/80/88/00/597808800.db2.gz POWXXWAFMIONSR-DGCLKSJQSA-N 2 0 345.369 1.581 20 0 EDADRP COCC[N@H+](CC1CC[NH+](C)CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000879125071 597827046 /nfs/dbraw/zinc/82/70/46/597827046.db2.gz NXDKVPAHWBZFKS-KRWDZBQOSA-N 2 0 325.497 1.676 20 0 EDADRP COCC[N@@H+](Cc1cc(=O)n2ccccc2n1)CC1CC[NH+](C)CC1 ZINC000879126157 597827438 /nfs/dbraw/zinc/82/74/38/597827438.db2.gz UQGKIEMDZWIOKT-UHFFFAOYSA-N 2 0 344.459 1.485 20 0 EDADRP COC(=O)[C@]1(O)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000880566206 597965473 /nfs/dbraw/zinc/96/54/73/597965473.db2.gz WOCDFGMYZVLKAR-IBGZPJMESA-N 2 0 332.444 1.782 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000884022855 597970437 /nfs/dbraw/zinc/97/04/37/597970437.db2.gz SWIOENKYANVLGI-JKSUJKDBSA-N 2 0 345.443 1.780 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186041 598018561 /nfs/dbraw/zinc/01/85/61/598018561.db2.gz OPIJNPSBKVPGEF-CRAIPNDOSA-N 2 0 333.476 1.899 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192646 598021883 /nfs/dbraw/zinc/02/18/83/598021883.db2.gz KPTWWAKDJZEFFA-SMDDNHRTSA-N 2 0 340.265 1.907 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000884198127 598024667 /nfs/dbraw/zinc/02/46/67/598024667.db2.gz NTDHUPAYTPRKKH-ROUUACIJSA-N 2 0 333.476 1.940 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884198573 598024953 /nfs/dbraw/zinc/02/49/53/598024953.db2.gz AKUYRJMKPZJWOX-QGZVFWFLSA-N 2 0 345.443 1.530 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC000884213570 598031925 /nfs/dbraw/zinc/03/19/25/598031925.db2.gz FTUKSTFWODAWPT-ZBFHGGJFSA-N 2 0 331.416 1.140 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000884239391 598039336 /nfs/dbraw/zinc/03/93/36/598039336.db2.gz UELFTSWFQGZGBD-WMZOPIPTSA-N 2 0 331.460 1.889 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000884340103 598075281 /nfs/dbraw/zinc/07/52/81/598075281.db2.gz CMYYAXVZJXMEAS-OSMZGAPFSA-N 2 0 340.265 1.892 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3C[C@@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365403 598082367 /nfs/dbraw/zinc/08/23/67/598082367.db2.gz INXIVAHXQLXKKX-HUUCEWRRSA-N 2 0 345.447 1.159 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000884371290 598084343 /nfs/dbraw/zinc/08/43/43/598084343.db2.gz KPRLZQYHCYJQBI-GOEBONIOSA-N 2 0 326.444 1.829 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884381380 598086885 /nfs/dbraw/zinc/08/68/85/598086885.db2.gz DFVZBJCLOVICNM-KRWDZBQOSA-N 2 0 345.443 1.530 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NCc2ccccc2C[NH2+]C)c1 ZINC000884384481 598088212 /nfs/dbraw/zinc/08/82/12/598088212.db2.gz NUHPZQOFWNQODO-UHFFFAOYSA-N 2 0 327.428 1.934 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884400956 598093762 /nfs/dbraw/zinc/09/37/62/598093762.db2.gz ACRCDHLIFKPSKG-ZWKOTPCHSA-N 2 0 347.503 1.879 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000884412161 598097753 /nfs/dbraw/zinc/09/77/53/598097753.db2.gz KCEDYBGUZZEBCJ-SJORKVTESA-N 2 0 338.540 1.623 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC000884437893 598105301 /nfs/dbraw/zinc/10/53/01/598105301.db2.gz PEXHYCQTZKRUOV-ICCXJUOJSA-N 2 0 326.238 1.706 20 0 EDADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000884489111 598119070 /nfs/dbraw/zinc/11/90/70/598119070.db2.gz PRFVSQHWJKJEAC-INIZCTEOSA-N 2 0 346.475 1.011 20 0 EDADRP CC1CC[NH+](CCNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000914074335 695069177 /nfs/dbraw/zinc/06/91/77/695069177.db2.gz CQGKFHSUPGXCDT-JKSUJKDBSA-N 2 0 340.537 1.597 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000995017186 699993488 /nfs/dbraw/zinc/99/34/88/699993488.db2.gz VIRSEHVNUFSYJN-CABCVRRESA-N 2 0 346.479 1.116 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnsn3)[C@@H]2C1 ZINC000992905101 695440804 /nfs/dbraw/zinc/44/08/04/695440804.db2.gz JBSVSSAAJPLFTN-NUEKZKHPSA-N 2 0 349.504 1.351 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)c1 ZINC000992925648 695457126 /nfs/dbraw/zinc/45/71/26/695457126.db2.gz LACAYHWDDGDUIX-GBESFXJTSA-N 2 0 345.487 1.571 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000915723455 695978209 /nfs/dbraw/zinc/97/82/09/695978209.db2.gz BFLQJAZICQMWMB-CVEARBPZSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@@H+]1CCO ZINC000993628548 696292032 /nfs/dbraw/zinc/29/20/32/696292032.db2.gz HSCHUBDQZQRUGK-YJBOKZPZSA-N 2 0 333.476 1.366 20 0 EDADRP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CN(C)CCO3)CC2)cc1 ZINC000940024319 700122607 /nfs/dbraw/zinc/12/26/07/700122607.db2.gz FUESOBUGNPAMGJ-GOSISDBHSA-N 2 0 345.487 1.796 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000918009483 697119765 /nfs/dbraw/zinc/11/97/65/697119765.db2.gz FRXDVJZKIIDJMB-HOTGVXAUSA-N 2 0 329.510 1.124 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1C ZINC001031584870 697280340 /nfs/dbraw/zinc/28/03/40/697280340.db2.gz KVUCFFBDOFSMFG-KRWDZBQOSA-N 2 0 331.460 1.646 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000919627073 697307337 /nfs/dbraw/zinc/30/73/37/697307337.db2.gz FDOOETZAYUGQBK-BZUAXINKSA-N 2 0 338.521 1.350 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1nc(CN(C)C)cs1 ZINC000920236299 697410210 /nfs/dbraw/zinc/41/02/10/697410210.db2.gz MUTRIONQGQZBQK-CYBMUJFWSA-N 2 0 325.482 1.488 20 0 EDADRP CC(C)=CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001031685985 697515922 /nfs/dbraw/zinc/51/59/22/697515922.db2.gz IDVOMWFAWPDHJD-KRWDZBQOSA-N 2 0 331.464 1.804 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000921186016 697526458 /nfs/dbraw/zinc/52/64/58/697526458.db2.gz PHNPXDXQAPQKKA-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN([C@@H](C)c3cnccn3)C2)C1 ZINC001031729382 698052320 /nfs/dbraw/zinc/05/23/20/698052320.db2.gz MBMNWFDYJNVNRU-DOTOQJQBSA-N 2 0 345.491 1.564 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCn3cccn3)C2)CC1 ZINC001032093985 698583040 /nfs/dbraw/zinc/58/30/40/698583040.db2.gz AVNJSKLOZMRAHA-UHFFFAOYSA-N 2 0 333.480 1.052 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764253 699041783 /nfs/dbraw/zinc/04/17/83/699041783.db2.gz BQNHVSCZUJRPAZ-MRXNPFEDSA-N 2 0 335.492 1.337 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939063197 699106116 /nfs/dbraw/zinc/10/61/16/699106116.db2.gz BSSFEXHUDCKROQ-ACJLOTCBSA-N 2 0 346.475 1.830 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054364 699114902 /nfs/dbraw/zinc/11/49/02/699114902.db2.gz IJWRELVSDAMONB-GUYCJALGSA-N 2 0 333.480 1.007 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939138258 699217650 /nfs/dbraw/zinc/21/76/50/699217650.db2.gz VEAANBDRQPGVDI-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@H]3CC[C@H](C)O3)C2)ccc2c[nH+]cn21 ZINC001031799648 699329021 /nfs/dbraw/zinc/32/90/21/699329021.db2.gz BWJCEDQJOBVQHR-SUMWQHHRSA-N 2 0 342.443 1.872 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031806852 699415065 /nfs/dbraw/zinc/41/50/65/699415065.db2.gz RCRDSHHCYYTPNG-GOSISDBHSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(F)c1 ZINC000939543529 699684793 /nfs/dbraw/zinc/68/47/93/699684793.db2.gz DTFNXRWWDWLFGQ-RHSMWYFYSA-N 2 0 331.435 1.858 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c1 ZINC000939545251 699687450 /nfs/dbraw/zinc/68/74/50/699687450.db2.gz NLBLGJZRTLRFMN-WMLDXEAASA-N 2 0 344.459 1.123 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939550513 699699430 /nfs/dbraw/zinc/69/94/30/699699430.db2.gz LOULFFBBUHSCPV-CZUORRHYSA-N 2 0 346.475 1.578 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165948 701614437 /nfs/dbraw/zinc/61/44/37/701614437.db2.gz FLBYLZORWJOAQL-SJORKVTESA-N 2 0 342.487 1.860 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995166147 701620024 /nfs/dbraw/zinc/62/00/24/701620024.db2.gz GFTRSCXHLQHZTE-CABCVRRESA-N 2 0 332.448 1.453 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939754299 699904602 /nfs/dbraw/zinc/90/46/02/699904602.db2.gz MDHLJRKXZFXGCO-NVXWUHKLSA-N 2 0 347.507 1.670 20 0 EDADRP COc1ccc(CC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000939754951 699905087 /nfs/dbraw/zinc/90/50/87/699905087.db2.gz BDOJKCJCGFJHOF-LPHOPBHVSA-N 2 0 345.487 1.770 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cs1 ZINC000939755929 699922316 /nfs/dbraw/zinc/92/23/16/699922316.db2.gz SCUBTCHSKCRSRX-BBRMVZONSA-N 2 0 336.505 1.526 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939757596 699924600 /nfs/dbraw/zinc/92/46/00/699924600.db2.gz YWARELZWNIKNEA-ZFWWWQNUSA-N 2 0 334.464 1.578 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000353633703 699951199 /nfs/dbraw/zinc/95/11/99/699951199.db2.gz WZLMSERSGDUVSR-RTBURBONSA-N 2 0 345.487 1.876 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940147904 700279875 /nfs/dbraw/zinc/27/98/75/700279875.db2.gz JDNHBYODAARISP-HNNXBMFYSA-N 2 0 349.479 1.518 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000940154456 700284583 /nfs/dbraw/zinc/28/45/83/700284583.db2.gz YDYHHXFFFLEBQR-OXJNMPFZSA-N 2 0 349.519 1.868 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200201 700358234 /nfs/dbraw/zinc/35/82/34/700358234.db2.gz DEFWAUFYLPZOFV-INIZCTEOSA-N 2 0 335.492 1.622 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000940200797 700359548 /nfs/dbraw/zinc/35/95/48/700359548.db2.gz ZOXQWCXFTNQWIV-UHFFFAOYSA-N 2 0 345.491 1.519 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000995053733 700413609 /nfs/dbraw/zinc/41/36/09/700413609.db2.gz ICQGMCHEQLABJI-LSDHHAIUSA-N 2 0 349.479 1.627 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296032 700467943 /nfs/dbraw/zinc/46/79/43/700467943.db2.gz CYWBCLGMVZIJHM-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CC1 ZINC000940296458 700468230 /nfs/dbraw/zinc/46/82/30/700468230.db2.gz LNUHMGQOBKOVSS-UHFFFAOYSA-N 2 0 331.464 1.289 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000940296807 700469033 /nfs/dbraw/zinc/46/90/33/700469033.db2.gz XTHGSKNVNRQZNP-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000940327952 700505170 /nfs/dbraw/zinc/50/51/70/700505170.db2.gz ARFJBPRBMIXKPJ-NVXWUHKLSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940328974 700507971 /nfs/dbraw/zinc/50/79/71/700507971.db2.gz PDXPIVFHCGMMDJ-OCCSQVGLSA-N 2 0 335.452 1.046 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329632 700508975 /nfs/dbraw/zinc/50/89/75/700508975.db2.gz WDQXNVQHRRZMSM-HUUCEWRRSA-N 2 0 331.464 1.145 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940329706 700509713 /nfs/dbraw/zinc/50/97/13/700509713.db2.gz XPQFXQPIJMODSF-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC000995169142 701646279 /nfs/dbraw/zinc/64/62/79/701646279.db2.gz RAQZTRKQORXFNO-RDJZCZTQSA-N 2 0 328.460 1.552 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)CC1 ZINC000940365996 700547418 /nfs/dbraw/zinc/54/74/18/700547418.db2.gz NKEMXCOZVROMSQ-UHFFFAOYSA-N 2 0 334.464 1.877 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC000940366040 700547481 /nfs/dbraw/zinc/54/74/81/700547481.db2.gz PIJQPMWPBBMJIW-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)C1 ZINC000940426274 700620001 /nfs/dbraw/zinc/62/00/01/700620001.db2.gz MTBTZMQOVUNOHJ-HNNXBMFYSA-N 2 0 331.464 1.289 20 0 EDADRP CC1([NH2+]C[C@@H]2C[C@]23CCOC3)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461640 700664862 /nfs/dbraw/zinc/66/48/62/700664862.db2.gz GONAOJZVPPDJDM-LPHOPBHVSA-N 2 0 335.492 1.480 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nncs3)C2)CC1 ZINC000995077885 700679245 /nfs/dbraw/zinc/67/92/45/700679245.db2.gz IRJGTZNRXAWEBZ-TZMCWYRMSA-N 2 0 337.493 1.254 20 0 EDADRP CCn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082810 700726981 /nfs/dbraw/zinc/72/69/81/700726981.db2.gz ZTRAPSQKFRWGRA-NVXWUHKLSA-N 2 0 347.507 1.619 20 0 EDADRP CC1(C)CN(Cc2cnon2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940745997 700872258 /nfs/dbraw/zinc/87/22/58/700872258.db2.gz XUBSLBXXGDJCKH-CVEARBPZSA-N 2 0 347.463 1.128 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCCC1 ZINC000940746855 700872909 /nfs/dbraw/zinc/87/29/09/700872909.db2.gz CIHZAVCNXHZMQP-INIZCTEOSA-N 2 0 339.524 1.850 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)C1 ZINC000995102062 700898883 /nfs/dbraw/zinc/89/88/83/700898883.db2.gz GQXAXIVMGSZCSH-KBPBESRZSA-N 2 0 335.452 1.176 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940800919 700906521 /nfs/dbraw/zinc/90/65/21/700906521.db2.gz KCTVYZSWDLIMTQ-IRXDYDNUSA-N 2 0 339.524 1.848 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001031918198 701029980 /nfs/dbraw/zinc/02/99/80/701029980.db2.gz AHNWYQLONHSRPO-QGZVFWFLSA-N 2 0 333.480 1.053 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCc3ccnn3C)C2)C1 ZINC001031919042 701041059 /nfs/dbraw/zinc/04/10/59/701041059.db2.gz LKUFFKYMIHSKFG-KRWDZBQOSA-N 2 0 347.507 1.133 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC000995170750 701686543 /nfs/dbraw/zinc/68/65/43/701686543.db2.gz YDTSRTBMHOXLKF-KGLIPLIRSA-N 2 0 334.489 1.613 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCCCC1 ZINC000941074341 701101263 /nfs/dbraw/zinc/10/12/63/701101263.db2.gz BQSVSRQIONGABI-IRXDYDNUSA-N 2 0 339.524 1.850 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076288 701103861 /nfs/dbraw/zinc/10/38/61/701103861.db2.gz VPUZEMVBQWVZCU-IRXDYDNUSA-N 2 0 339.524 1.848 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@@H](C)C2)c(C)n1 ZINC000945806304 701195935 /nfs/dbraw/zinc/19/59/35/701195935.db2.gz BWMURLRHIXRYFJ-KSSFIOAISA-N 2 0 341.459 1.922 20 0 EDADRP Cc1nocc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216960 701403105 /nfs/dbraw/zinc/40/31/05/701403105.db2.gz IOAMSERSCUZXHM-GOEBONIOSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217145 701403497 /nfs/dbraw/zinc/40/34/97/701403497.db2.gz KDWQSKFIHYFSJG-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217393 701403860 /nfs/dbraw/zinc/40/38/60/701403860.db2.gz NPRUYWZPUWJREM-JKSUJKDBSA-N 2 0 333.480 1.052 20 0 EDADRP Cn1ccc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)n1 ZINC000946518543 706604483 /nfs/dbraw/zinc/60/44/83/706604483.db2.gz WHOZBRVIOKGUEW-JZXOWHBKSA-N 2 0 345.491 1.185 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408795 701521419 /nfs/dbraw/zinc/52/14/19/701521419.db2.gz UTMGMHJVJAFTCR-LJQANCHMSA-N 2 0 348.535 1.203 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437005 701540266 /nfs/dbraw/zinc/54/02/66/701540266.db2.gz NZHJHXCZMBFCLJ-MAUKXSAKSA-N 2 0 336.524 1.201 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941438505 701540977 /nfs/dbraw/zinc/54/09/77/701540977.db2.gz ZRNHYHLZBIOHSO-GOSISDBHSA-N 2 0 336.524 1.201 20 0 EDADRP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461070 701544385 /nfs/dbraw/zinc/54/43/85/701544385.db2.gz XNIRZTUJNCILQL-DOTOQJQBSA-N 2 0 340.487 1.047 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130241 701837930 /nfs/dbraw/zinc/83/79/30/701837930.db2.gz IMRRGZJNKBEEOA-UHFFFAOYSA-N 2 0 343.471 1.477 20 0 EDADRP O=C(NCC1C[NH+](CCOc2ccc(F)cc2)C1)C12CC[NH+](CC1)C2 ZINC001032131461 701853102 /nfs/dbraw/zinc/85/31/02/701853102.db2.gz LQACEANYLZBRKN-UHFFFAOYSA-N 2 0 347.434 1.348 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)O1 ZINC001032132047 701859023 /nfs/dbraw/zinc/85/90/23/701859023.db2.gz GGTWFGGWJDFNLQ-ZFWWWQNUSA-N 2 0 332.448 1.377 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)CCO1 ZINC001032133896 701888888 /nfs/dbraw/zinc/88/88/88/701888888.db2.gz NAIHEACMDWBWDP-LSDHHAIUSA-N 2 0 346.475 1.624 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC000944047398 702015045 /nfs/dbraw/zinc/01/50/45/702015045.db2.gz RNMYJINADKXWPK-MAUKXSAKSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nc(C(C)C)oc1CN1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)C1 ZINC001031979097 702043138 /nfs/dbraw/zinc/04/31/38/702043138.db2.gz YYVOMYBHUPUTRK-CJNGLKHVSA-N 2 0 348.491 1.852 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CC1CCOCC1 ZINC000995822036 702091529 /nfs/dbraw/zinc/09/15/29/702091529.db2.gz JOHBXEXNBBMVFI-ZWKOTPCHSA-N 2 0 349.519 1.581 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825940 702098894 /nfs/dbraw/zinc/09/88/94/702098894.db2.gz UNFNBFNCFKZGNA-SJORKVTESA-N 2 0 345.491 1.089 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031978764 702106138 /nfs/dbraw/zinc/10/61/38/702106138.db2.gz WNJNECVTVVSPEV-RDTXWAMCSA-N 2 0 331.460 1.441 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC000999199525 706643206 /nfs/dbraw/zinc/64/32/06/706643206.db2.gz HMHXZSVWBAEYDO-OKZBNKHCSA-N 2 0 337.508 1.724 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)n1 ZINC000995819196 702136285 /nfs/dbraw/zinc/13/62/85/702136285.db2.gz DMXUKMFCZKUDFU-IRXDYDNUSA-N 2 0 345.491 1.089 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1)C1CCC1 ZINC000995920148 702240497 /nfs/dbraw/zinc/24/04/97/702240497.db2.gz SVSOZODFGQWHFI-HNNXBMFYSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)on1 ZINC000995984927 702345475 /nfs/dbraw/zinc/34/54/75/702345475.db2.gz VZBUURYUPPNNCA-JKSUJKDBSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170838 702414769 /nfs/dbraw/zinc/41/47/69/702414769.db2.gz VNHYRGINDVXPIA-HIFRSBDPSA-N 2 0 334.489 1.566 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995206285 702651149 /nfs/dbraw/zinc/65/11/49/702651149.db2.gz DALOEHBIZGVKNI-WMLDXEAASA-N 2 0 334.439 1.691 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](CNCc2nc(C3CC3)no2)C1 ZINC000995207297 702663611 /nfs/dbraw/zinc/66/36/11/702663611.db2.gz DNNRGWQXVHNPLD-ZFWWWQNUSA-N 2 0 347.463 1.417 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995209320 702674549 /nfs/dbraw/zinc/67/45/49/702674549.db2.gz JYLFGTAZRFHTJJ-KBPBESRZSA-N 2 0 337.493 1.317 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293100 702685415 /nfs/dbraw/zinc/68/54/15/702685415.db2.gz BICJPBYRPGRSQG-HOTGVXAUSA-N 2 0 333.480 1.194 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996293195 702685631 /nfs/dbraw/zinc/68/56/31/702685631.db2.gz BPLGOSHQZUILSK-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)cn1 ZINC000996300103 702690972 /nfs/dbraw/zinc/69/09/72/702690972.db2.gz JYVMZJZJKQIRIE-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300282 702691757 /nfs/dbraw/zinc/69/17/57/702691757.db2.gz LEWSBTGWKJQOPQ-ZBFHGGJFSA-N 2 0 333.480 1.231 20 0 EDADRP CC(C)n1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995211709 702692919 /nfs/dbraw/zinc/69/29/19/702692919.db2.gz NTWVZIAAOHVNLD-IAGOWNOFSA-N 2 0 347.507 1.934 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302231 702694414 /nfs/dbraw/zinc/69/44/14/702694414.db2.gz XGTITCQZNDOWJJ-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995215185 702723779 /nfs/dbraw/zinc/72/37/79/702723779.db2.gz SZXIZKIGBVOXKJ-GDBMZVCRSA-N 2 0 334.464 1.707 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000995219527 702761328 /nfs/dbraw/zinc/76/13/28/702761328.db2.gz ZBWNLCGUTUMQDC-HIFRSBDPSA-N 2 0 346.479 1.152 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)Cc3ncc[nH]3)CC2(C)C)c1 ZINC000996461121 702789172 /nfs/dbraw/zinc/78/91/72/702789172.db2.gz MAKRPBZJAGITNM-OAHLLOKOSA-N 2 0 343.431 1.383 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996464644 702792219 /nfs/dbraw/zinc/79/22/19/702792219.db2.gz OHEBOMJVDCRIFO-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996465538 702792892 /nfs/dbraw/zinc/79/28/92/702792892.db2.gz UUMUXACOSZNTAI-KRWDZBQOSA-N 2 0 333.480 1.374 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996479609 702811308 /nfs/dbraw/zinc/81/13/08/702811308.db2.gz ZQOWSSLYTWGKHJ-WBVHZDCISA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996501083 702839979 /nfs/dbraw/zinc/83/99/79/702839979.db2.gz JXMBSCFUSDWQLI-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518599 702854055 /nfs/dbraw/zinc/85/40/55/702854055.db2.gz LXLGVSYJCFZKAA-DOTOQJQBSA-N 2 0 347.507 1.397 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1 ZINC000996559729 702878166 /nfs/dbraw/zinc/87/81/66/702878166.db2.gz DLJFAISXCHIBGF-MOPGFXCFSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000996559854 702878277 /nfs/dbraw/zinc/87/82/77/702878277.db2.gz GDAHVYZZLGFSIV-GOSISDBHSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996606482 702909659 /nfs/dbraw/zinc/90/96/59/702909659.db2.gz JJVBSZVVKWKZHS-RHSMWYFYSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)nn1C ZINC000996608767 702911954 /nfs/dbraw/zinc/91/19/54/702911954.db2.gz HNOYBKQBCPYNRG-GOEBONIOSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996608662 702912180 /nfs/dbraw/zinc/91/21/80/702912180.db2.gz SWXFJETWJMMVHA-IIAWOOMASA-N 2 0 334.464 1.965 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996605173 702914417 /nfs/dbraw/zinc/91/44/17/702914417.db2.gz BLZVUWZYNIWGGQ-GZBFAFLISA-N 2 0 348.495 1.349 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996612365 702917331 /nfs/dbraw/zinc/91/73/31/702917331.db2.gz QTEYYHRXHZWPTE-NVXWUHKLSA-N 2 0 345.491 1.768 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996612441 702917620 /nfs/dbraw/zinc/91/76/20/702917620.db2.gz QXOSVECEHBXVQD-QGZVFWFLSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996614392 702919842 /nfs/dbraw/zinc/91/98/42/702919842.db2.gz NAQHNWWQXIGAQI-HOCLYGCPSA-N 2 0 334.464 1.570 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996617327 702924090 /nfs/dbraw/zinc/92/40/90/702924090.db2.gz AIRKAXYVPPYBGC-ZWKOTPCHSA-N 2 0 344.459 1.025 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)CCc3c[nH]cn3)CC2)ccn1 ZINC000996653165 702942562 /nfs/dbraw/zinc/94/25/62/702942562.db2.gz ZGDORQDHJYMWQL-UHFFFAOYSA-N 2 0 343.431 1.527 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996675045 702974139 /nfs/dbraw/zinc/97/41/39/702974139.db2.gz DYNJMSNCIBDDEL-KRWDZBQOSA-N 2 0 331.464 1.206 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996675247 702974415 /nfs/dbraw/zinc/97/44/15/702974415.db2.gz FRWRJPTYPQUIDO-GOSISDBHSA-N 2 0 347.507 1.764 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1)C1CC1 ZINC000996680713 702978715 /nfs/dbraw/zinc/97/87/15/702978715.db2.gz UIEGGZRYGNPDNE-QGZVFWFLSA-N 2 0 334.439 1.642 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996685860 702983582 /nfs/dbraw/zinc/98/35/82/702983582.db2.gz BDYZJPCQPUTEEP-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996689275 702986643 /nfs/dbraw/zinc/98/66/43/702986643.db2.gz LAXKYQZCAQBSRX-QGZVFWFLSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996686545 702993215 /nfs/dbraw/zinc/99/32/15/702993215.db2.gz CNEOLVSJHBNNCH-KRWDZBQOSA-N 2 0 333.480 1.452 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ncccn2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996723615 703018323 /nfs/dbraw/zinc/01/83/23/703018323.db2.gz VMLAHJPRIBNUEI-UHFFFAOYSA-N 2 0 343.475 1.433 20 0 EDADRP Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996726078 703021415 /nfs/dbraw/zinc/02/14/15/703021415.db2.gz WDNAZWQDIMLINN-KRWDZBQOSA-N 2 0 333.480 1.028 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996749134 703034637 /nfs/dbraw/zinc/03/46/37/703034637.db2.gz QLQXGZPKQFKDPO-KRWDZBQOSA-N 2 0 334.464 1.876 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H]2CCCOC2)CC1)C12CCC[NH+]1CCC2 ZINC000996769445 703060680 /nfs/dbraw/zinc/06/06/80/703060680.db2.gz FXWCLBYTONEPQX-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000996769588 703060858 /nfs/dbraw/zinc/06/08/58/703060858.db2.gz HKPYKZIQNIVHGV-UHFFFAOYSA-N 2 0 331.464 1.129 20 0 EDADRP C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598176 703113465 /nfs/dbraw/zinc/11/34/65/703113465.db2.gz SLRMIWJEDBMMPV-YJBOKZPZSA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC000996867227 703140035 /nfs/dbraw/zinc/14/00/35/703140035.db2.gz DXTIYLRAWKRZJE-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867431 703140330 /nfs/dbraw/zinc/14/03/30/703140330.db2.gz HVJFULPIKJSJEZ-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)[NH+]1CCCC1 ZINC000996868726 703141243 /nfs/dbraw/zinc/14/12/43/703141243.db2.gz YIGDYDYGXIDBFD-OXJNMPFZSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1ncccn1 ZINC000996951578 703222304 /nfs/dbraw/zinc/22/23/04/703222304.db2.gz HBZCCSWVDDOXRD-AWEZNQCLSA-N 2 0 331.464 1.460 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)[nH]1 ZINC000997000311 703257340 /nfs/dbraw/zinc/25/73/40/703257340.db2.gz PBVMYKVEEIZOIO-CYBMUJFWSA-N 2 0 348.495 1.487 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997008957 703261179 /nfs/dbraw/zinc/26/11/79/703261179.db2.gz NJVGAYKOKMKRLU-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997004476 703261652 /nfs/dbraw/zinc/26/16/52/703261652.db2.gz DIMITHXGFRPULK-CYBMUJFWSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997006419 703263425 /nfs/dbraw/zinc/26/34/25/703263425.db2.gz MAHQCHHFRUWISR-AWEZNQCLSA-N 2 0 334.439 1.643 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006188 703263545 /nfs/dbraw/zinc/26/35/45/703263545.db2.gz FFZCENCLJIVFJS-SMDDNHRTSA-N 2 0 337.493 1.125 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000997007922 703265242 /nfs/dbraw/zinc/26/52/42/703265242.db2.gz RTNAKNAQSPWHKR-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997013228 703272804 /nfs/dbraw/zinc/27/28/04/703272804.db2.gz ZDQIIAGKDNPYRX-SMDDNHRTSA-N 2 0 337.493 1.125 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CCc2scnc2C)CC1)[NH+](C)C ZINC000997015909 703274791 /nfs/dbraw/zinc/27/47/91/703274791.db2.gz RQLFNKMRPALHCC-HNNXBMFYSA-N 2 0 338.521 1.915 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCOC2)CC1 ZINC001032699756 706736785 /nfs/dbraw/zinc/73/67/85/706736785.db2.gz WHGNRFPHSCTBFV-SQNIBIBYSA-N 2 0 335.492 1.430 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC1 ZINC000997116368 703370112 /nfs/dbraw/zinc/37/01/12/703370112.db2.gz XJSIRGPFJYIDHZ-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997133284 703393216 /nfs/dbraw/zinc/39/32/16/703393216.db2.gz WKLWLFRWCYJDDX-WBVHZDCISA-N 2 0 325.497 1.173 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997180158 703470598 /nfs/dbraw/zinc/47/05/98/703470598.db2.gz FWUXTRWVFLWSDQ-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997189480 703471737 /nfs/dbraw/zinc/47/17/37/703471737.db2.gz YPKWRVWPFLNVAR-OAHLLOKOSA-N 2 0 346.475 1.768 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000997187336 703476950 /nfs/dbraw/zinc/47/69/50/703476950.db2.gz NFTCLHWVJXMIMP-OAHLLOKOSA-N 2 0 343.475 1.522 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997361617 703595757 /nfs/dbraw/zinc/59/57/57/703595757.db2.gz WZCRHAWTVGPKLF-IYBDPMFKSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000997366659 703600585 /nfs/dbraw/zinc/60/05/85/703600585.db2.gz IPYAZDYRIISBOY-XJKSGUPXSA-N 2 0 348.495 1.629 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cnon2)CC1)[NH+]1CCCCC1 ZINC000997368599 703607399 /nfs/dbraw/zinc/60/73/99/703607399.db2.gz HXZOESOIGAGNEO-QGZVFWFLSA-N 2 0 349.479 1.661 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000997368808 703609179 /nfs/dbraw/zinc/60/91/79/703609179.db2.gz LEKVUGVBNGGXGU-FUHWJXTLSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000997390842 703658132 /nfs/dbraw/zinc/65/81/32/703658132.db2.gz ROMBDYNHOBPMBY-AEFFLSMTSA-N 2 0 349.519 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCOC)CC1 ZINC000997612721 703910034 /nfs/dbraw/zinc/91/00/34/703910034.db2.gz IHVOQNLWLUSTAZ-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000997612688 703910194 /nfs/dbraw/zinc/91/01/94/703910194.db2.gz KFHJVXLKHRMTGU-MRXNPFEDSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997636233 703937496 /nfs/dbraw/zinc/93/74/96/703937496.db2.gz MHRMOFIFQPDXDW-CVEARBPZSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677476 704031684 /nfs/dbraw/zinc/03/16/84/704031684.db2.gz QGYMWWVHSAOWCC-KGLIPLIRSA-N 2 0 330.432 1.545 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033080122 704145252 /nfs/dbraw/zinc/14/52/52/704145252.db2.gz CSMBZJAWSXZMDF-KGLIPLIRSA-N 2 0 333.398 1.813 20 0 EDADRP Cc1cnc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001033091793 704167094 /nfs/dbraw/zinc/16/70/94/704167094.db2.gz MYHJUCXYITYPJN-RBSFLKMASA-N 2 0 336.505 1.824 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ocnc2C)C1 ZINC000999306669 706811431 /nfs/dbraw/zinc/81/14/31/706811431.db2.gz LBNOSDDWLAZRJZ-HZPDHXFCSA-N 2 0 334.464 1.938 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922834303 704399496 /nfs/dbraw/zinc/39/94/96/704399496.db2.gz JWVOUZIDULVHTK-CVEARBPZSA-N 2 0 345.472 1.713 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)CCC1 ZINC000997822633 704742552 /nfs/dbraw/zinc/74/25/52/704742552.db2.gz FWIWALJXNGJRHQ-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000997823396 704744989 /nfs/dbraw/zinc/74/49/89/704744989.db2.gz NFKVGMDMZUHVMD-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)O1 ZINC000997830306 704749102 /nfs/dbraw/zinc/74/91/02/704749102.db2.gz HNLNCVYCFFLPIO-YJBOKZPZSA-N 2 0 337.508 1.866 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997830997 704751297 /nfs/dbraw/zinc/75/12/97/704751297.db2.gz NXYFUPXOOAQASP-UHFFFAOYSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000997831038 704751452 /nfs/dbraw/zinc/75/14/52/704751452.db2.gz PBWFIVAUVKZDBS-LRDDRELGSA-N 2 0 348.495 1.343 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000997857328 704769871 /nfs/dbraw/zinc/76/98/71/704769871.db2.gz YZNCPTGDAGFWNM-CYBMUJFWSA-N 2 0 325.482 1.207 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997864551 704771405 /nfs/dbraw/zinc/77/14/05/704771405.db2.gz KNCMLRXFIALQJW-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997866560 704773103 /nfs/dbraw/zinc/77/31/03/704773103.db2.gz LDNFXCNITWJJCU-YOEHRIQHSA-N 2 0 347.507 1.397 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997890242 704791824 /nfs/dbraw/zinc/79/18/24/704791824.db2.gz HKVDEMDOXSMMOI-QGZVFWFLSA-N 2 0 349.479 1.518 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000998081578 705301881 /nfs/dbraw/zinc/30/18/81/705301881.db2.gz JXDBNXQURUVLSB-KBXCAEBGSA-N 2 0 348.466 1.747 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000998080481 705306002 /nfs/dbraw/zinc/30/60/02/705306002.db2.gz ASXYQHGMACPKFF-UHFFFAOYSA-N 2 0 349.479 1.438 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000998083082 705312052 /nfs/dbraw/zinc/31/20/52/705312052.db2.gz UPEQUDBMXMOHKN-UONOGXRCSA-N 2 0 348.495 1.487 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998083598 705312542 /nfs/dbraw/zinc/31/25/42/705312542.db2.gz WSKBSMJNUJLUKP-DOMZBBRYSA-N 2 0 337.493 1.064 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000998084084 705314132 /nfs/dbraw/zinc/31/41/32/705314132.db2.gz ZIQPVWNZRHLHIX-PBHICJAKSA-N 2 0 345.491 1.311 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1)C1CCC1 ZINC001032603124 705415378 /nfs/dbraw/zinc/41/53/78/705415378.db2.gz PWZMHGZMQLWSRN-BZSNNMDCSA-N 2 0 335.492 1.428 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000998176777 705473181 /nfs/dbraw/zinc/47/31/81/705473181.db2.gz OBISMNUIJBQVDH-ZWKOTPCHSA-N 2 0 349.519 1.822 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3cscn3)CC2)C1 ZINC000998215505 705536459 /nfs/dbraw/zinc/53/64/59/705536459.db2.gz AMOJAZFKOMRTBG-OAHLLOKOSA-N 2 0 336.505 1.813 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998217665 705540619 /nfs/dbraw/zinc/54/06/19/705540619.db2.gz PYHVOICVEGNMKF-CJNGLKHVSA-N 2 0 348.495 1.344 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000998264718 705630627 /nfs/dbraw/zinc/63/06/27/705630627.db2.gz HHUHZYWDLBTFEF-ZBFHGGJFSA-N 2 0 331.464 1.318 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000998265262 705632386 /nfs/dbraw/zinc/63/23/86/705632386.db2.gz KDUCBZPRCQRMFV-MRXNPFEDSA-N 2 0 345.491 1.109 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000998266793 705635692 /nfs/dbraw/zinc/63/56/92/705635692.db2.gz REKQCTGDMIDJLI-HNNXBMFYSA-N 2 0 336.505 1.731 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998266104 705637908 /nfs/dbraw/zinc/63/79/08/705637908.db2.gz OTHGCCCAMHGBHQ-SWLSCSKDSA-N 2 0 335.452 1.219 20 0 EDADRP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267695 705638752 /nfs/dbraw/zinc/63/87/52/705638752.db2.gz ZDPXMPVWMYTANB-INIZCTEOSA-N 2 0 348.491 1.825 20 0 EDADRP COc1ncccc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998270691 705649174 /nfs/dbraw/zinc/64/91/74/705649174.db2.gz XZENYXILCLWZAA-UHFFFAOYSA-N 2 0 346.475 1.514 20 0 EDADRP CC(C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998301984 705712280 /nfs/dbraw/zinc/71/22/80/705712280.db2.gz IARLLUIUEOKWSV-QWHCGFSZSA-N 2 0 333.398 1.860 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCOC2)C1 ZINC001032628742 705745862 /nfs/dbraw/zinc/74/58/62/705745862.db2.gz DTJLLOPUQPISIW-ULQDDVLXSA-N 2 0 335.492 1.430 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998548337 705984103 /nfs/dbraw/zinc/98/41/03/705984103.db2.gz GNFBINXBXVMDGR-YMAMQOFZSA-N 2 0 336.867 1.908 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998780522 706221637 /nfs/dbraw/zinc/22/16/37/706221637.db2.gz NYDVDFHXLCOMEP-OFLPRAFFSA-N 2 0 332.448 1.404 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC000998792963 706239738 /nfs/dbraw/zinc/23/97/38/706239738.db2.gz GTHFCASQYMOJOU-ZGUYJTEBSA-N 2 0 330.476 1.891 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000998867308 706297195 /nfs/dbraw/zinc/29/71/95/706297195.db2.gz QVNSITQUWFPWEO-GPANFISMSA-N 2 0 334.464 1.936 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999144750 706558390 /nfs/dbraw/zinc/55/83/90/706558390.db2.gz NMDUWQSVOQKDCH-ZWKOTPCHSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144741 706558620 /nfs/dbraw/zinc/55/86/20/706558620.db2.gz NIWVFXNIMPMPOO-DOTOQJQBSA-N 2 0 333.480 1.374 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999375029 706869645 /nfs/dbraw/zinc/86/96/45/706869645.db2.gz SWZMQYJBBBVPCP-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399517 706894401 /nfs/dbraw/zinc/89/44/01/706894401.db2.gz HVUAGAAFVOBBRY-CVEARBPZSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406678 706915978 /nfs/dbraw/zinc/91/59/78/706915978.db2.gz PKXSMVYOLZFMLZ-QQFBHYJXSA-N 2 0 348.495 1.422 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3cc4n(n3)CCC4)C2)C1 ZINC000999406854 706916001 /nfs/dbraw/zinc/91/60/01/706916001.db2.gz AMFHTEBAUXVJAV-KSTDHSDQSA-N 2 0 345.491 1.250 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407870 706917678 /nfs/dbraw/zinc/91/76/78/706917678.db2.gz HONSJMQULCWLQA-IUDNXUCKSA-N 2 0 348.495 1.027 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)[NH+](C)C ZINC000999434609 706942052 /nfs/dbraw/zinc/94/20/52/706942052.db2.gz PBJKDQDSMUCSSF-ROUUACIJSA-N 2 0 339.524 1.970 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1)[NH+](C)C ZINC000999481141 706990006 /nfs/dbraw/zinc/99/00/06/706990006.db2.gz BJZCIMXCAOFZNP-WMLDXEAASA-N 2 0 334.464 1.973 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC000999507893 707005206 /nfs/dbraw/zinc/00/52/06/707005206.db2.gz DCOLFCJUHNZAGY-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999511995 707010607 /nfs/dbraw/zinc/01/06/07/707010607.db2.gz OOSAQYCBPQAFMO-DLBZAZTESA-N 2 0 346.475 1.655 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999515865 707014967 /nfs/dbraw/zinc/01/49/67/707014967.db2.gz ZOXTZVSLPPLFLV-ZWKOTPCHSA-N 2 0 347.507 1.510 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999488951 707025019 /nfs/dbraw/zinc/02/50/19/707025019.db2.gz HXCVXWVZBYMQEX-GOEBONIOSA-N 2 0 336.480 1.966 20 0 EDADRP CC[C@H]([NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1)C(N)=O ZINC000999556688 707054686 /nfs/dbraw/zinc/05/46/86/707054686.db2.gz KKGLMUMCSJTZOS-BBRMVZONSA-N 2 0 343.431 1.101 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999596320 707099451 /nfs/dbraw/zinc/09/94/51/707099451.db2.gz LENQVAOWOCIAKQ-HNNXBMFYSA-N 2 0 332.448 1.692 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CCn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC000999597434 707100261 /nfs/dbraw/zinc/10/02/61/707100261.db2.gz PDBKOTYXPBIDLE-MRXNPFEDSA-N 2 0 331.464 1.092 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999600740 707102871 /nfs/dbraw/zinc/10/28/71/707102871.db2.gz FFGDBGLNRQMFSL-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)[nH]1 ZINC000999601739 707103785 /nfs/dbraw/zinc/10/37/85/707103785.db2.gz NICWPTNBQFDJIM-IUDNXUCKSA-N 2 0 348.495 1.485 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]C[C@H]3CCCCO3)C2)CC1 ZINC000999602369 707104207 /nfs/dbraw/zinc/10/42/07/707104207.db2.gz SXTDPUKFCGMMMM-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC000999617975 707137426 /nfs/dbraw/zinc/13/74/26/707137426.db2.gz FBSBYTGBQADDTH-MRXNPFEDSA-N 2 0 338.415 1.462 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033276666 707340827 /nfs/dbraw/zinc/34/08/27/707340827.db2.gz DTBOSQHPSGHTRS-RXCRORICSA-N 2 0 349.519 1.819 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999838197 707409991 /nfs/dbraw/zinc/40/99/91/707409991.db2.gz UFMFDNGEUZGKDV-WLYUNCDWSA-N 2 0 336.867 1.766 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999834127 707466704 /nfs/dbraw/zinc/46/67/04/707466704.db2.gz SFCSCUDAIHOLGE-UHFFFAOYSA-N 2 0 336.505 1.935 20 0 EDADRP Cc1nnc([C@@H](C)NC2CC(N(C)C(=O)Cn3ccnc3C)C2)o1 ZINC000999837193 707473749 /nfs/dbraw/zinc/47/37/49/707473749.db2.gz ODGJNHSAFSNMMN-GWMXKSKGSA-N 2 0 332.408 1.223 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000999875872 707522774 /nfs/dbraw/zinc/52/27/74/707522774.db2.gz IQNYZYSUXORRHM-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000999876336 707523020 /nfs/dbraw/zinc/52/30/20/707523020.db2.gz LIWNLJFKUJLVNX-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998416 707681158 /nfs/dbraw/zinc/68/11/58/707681158.db2.gz RRKFLPHLHHGCCV-CVEARBPZSA-N 2 0 334.468 1.035 20 0 EDADRP Cc1ncc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001033358784 707683060 /nfs/dbraw/zinc/68/30/60/707683060.db2.gz PXOHXUYNAUIAFV-CWRNSKLLSA-N 2 0 334.464 1.746 20 0 EDADRP Cc1cnc(CN2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033396995 707735994 /nfs/dbraw/zinc/73/59/94/707735994.db2.gz QKPLXAYHTFBQOS-QGZVFWFLSA-N 2 0 331.464 1.160 20 0 EDADRP C[C@H]([NH2+]Cc1ccns1)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001004967817 707765848 /nfs/dbraw/zinc/76/58/48/707765848.db2.gz SQJCNOWROMLWII-JSGCOSHPSA-N 2 0 333.461 1.968 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033417071 707798428 /nfs/dbraw/zinc/79/84/28/707798428.db2.gz UZVWLJVGRDNRRK-APWZRJJASA-N 2 0 345.487 1.696 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033226989 707839206 /nfs/dbraw/zinc/83/92/06/707839206.db2.gz XTVZXSUJLWSULU-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC[C@@H]3CCOC3)C2)C1 ZINC001000200136 707842722 /nfs/dbraw/zinc/84/27/22/707842722.db2.gz PKAAGYGHIXYGBN-SJORKVTESA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989049 707846586 /nfs/dbraw/zinc/84/65/86/707846586.db2.gz DRVXXASSXLMNRH-WBVHZDCISA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001000521765 708039743 /nfs/dbraw/zinc/03/97/43/708039743.db2.gz NSYDHBBVFCSTKS-RTBURBONSA-N 2 0 349.519 1.770 20 0 EDADRP CC(C)CC[N@H+]1CC=C(CNC(=O)[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714777 708063110 /nfs/dbraw/zinc/06/31/10/708063110.db2.gz NDJWRSUPIRRTQX-ROUUACIJSA-N 2 0 335.492 1.644 20 0 EDADRP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800211 708080613 /nfs/dbraw/zinc/08/06/13/708080613.db2.gz ATZVZAUCMCDERO-PVAVHDDUSA-N 2 0 331.460 1.682 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001005183628 708134040 /nfs/dbraw/zinc/13/40/40/708134040.db2.gz JKYMYSHFDNKZKI-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC001001751753 708274144 /nfs/dbraw/zinc/27/41/44/708274144.db2.gz ORWVGBYGIBFZAY-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033592370 708290696 /nfs/dbraw/zinc/29/06/96/708290696.db2.gz GBBBRJPONNZYDO-JKSUJKDBSA-N 2 0 335.492 1.430 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593789 708293091 /nfs/dbraw/zinc/29/30/91/708293091.db2.gz MGDBYXQIZQXDSF-OAHLLOKOSA-N 2 0 346.475 1.674 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033594993 708298010 /nfs/dbraw/zinc/29/80/10/708298010.db2.gz SZQQTKJACNXPLZ-SFHVURJKSA-N 2 0 343.471 1.307 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033595305 708298491 /nfs/dbraw/zinc/29/84/91/708298491.db2.gz RTUMYDKGSXGMBI-HOTGVXAUSA-N 2 0 348.491 1.920 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001833977 708360341 /nfs/dbraw/zinc/36/03/41/708360341.db2.gz NEYRUEJQJNUXJZ-SUMWQHHRSA-N 2 0 348.491 1.817 20 0 EDADRP COc1ccnc(CN2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033657308 708428231 /nfs/dbraw/zinc/42/82/31/708428231.db2.gz JPIRXVWYKNTURI-INIZCTEOSA-N 2 0 332.448 1.219 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033687173 708502446 /nfs/dbraw/zinc/50/24/46/708502446.db2.gz ZIMHWCCDOQFVHP-IAGOWNOFSA-N 2 0 333.480 1.290 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001033885981 708993441 /nfs/dbraw/zinc/99/34/41/708993441.db2.gz CKYLJJVCHHUBMJ-ZBFHGGJFSA-N 2 0 330.432 1.906 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC001002475328 709010942 /nfs/dbraw/zinc/01/09/42/709010942.db2.gz MCTDHJOZHKPKFQ-SFHVURJKSA-N 2 0 349.450 1.493 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1)OC ZINC001033939803 709145289 /nfs/dbraw/zinc/14/52/89/709145289.db2.gz COOYWMCQKHMETF-IAGOWNOFSA-N 2 0 325.497 1.676 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033983802 709193116 /nfs/dbraw/zinc/19/31/16/709193116.db2.gz YHZGOMALUGNMFL-SFHVURJKSA-N 2 0 347.507 1.947 20 0 EDADRP CCn1cc(CN2CCC(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)nn1 ZINC001002793646 709401628 /nfs/dbraw/zinc/40/16/28/709401628.db2.gz YOEQZDNYEBBQDW-QGZVFWFLSA-N 2 0 348.495 1.251 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1)OC ZINC001002793668 709401944 /nfs/dbraw/zinc/40/19/44/709401944.db2.gz ZBPNVKOFGNJMLN-IAGOWNOFSA-N 2 0 325.497 1.865 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001002858925 709466653 /nfs/dbraw/zinc/46/66/53/709466653.db2.gz JGHQXXOGMJYDGC-FGTMMUONSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832466 709698429 /nfs/dbraw/zinc/69/84/29/709698429.db2.gz CCGTVVHOGKDQTC-BPQIPLTHSA-N 2 0 331.460 1.252 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321555 709771682 /nfs/dbraw/zinc/77/16/82/709771682.db2.gz UYIPZXCVDNEKAC-SFANZJOMSA-N 2 0 347.503 1.620 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001034304279 709774073 /nfs/dbraw/zinc/77/40/73/709774073.db2.gz QTKVAXSNNWOYMO-CABCVRRESA-N 2 0 343.431 1.232 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001034378991 709900636 /nfs/dbraw/zinc/90/06/36/709900636.db2.gz ZQIXTGQMSBEZKI-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034386500 709914915 /nfs/dbraw/zinc/91/49/15/709914915.db2.gz SEXQNUSKYJKFGB-KRWDZBQOSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395537 709929072 /nfs/dbraw/zinc/92/90/72/709929072.db2.gz AAZFLMZULYGYAA-DLBZAZTESA-N 2 0 347.507 1.418 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034402670 709948501 /nfs/dbraw/zinc/94/85/01/709948501.db2.gz RUZUETQSQNPKLU-SJLPKXTDSA-N 2 0 330.476 1.894 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432642 710002796 /nfs/dbraw/zinc/00/27/96/710002796.db2.gz XJTIBWSLYCZGQC-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001034439651 710015557 /nfs/dbraw/zinc/01/55/57/710015557.db2.gz WNMREMJTEGCQQR-IAGOWNOFSA-N 2 0 325.497 1.868 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439211 710015802 /nfs/dbraw/zinc/01/58/02/710015802.db2.gz SJLYTKUCLRHIQW-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034491589 710112283 /nfs/dbraw/zinc/11/22/83/710112283.db2.gz VTUCXJCMWSJRRR-FUHWJXTLSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034607107 710270222 /nfs/dbraw/zinc/27/02/22/710270222.db2.gz KXQVOFIZFCBRNY-ZOBUZTSGSA-N 2 0 331.464 1.396 20 0 EDADRP CCCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034611147 710285204 /nfs/dbraw/zinc/28/52/04/710285204.db2.gz IGQZVJBXFYOHIU-BZUAXINKSA-N 2 0 348.495 1.299 20 0 EDADRP Cc1ncc(CN2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626764 710450264 /nfs/dbraw/zinc/45/02/64/710450264.db2.gz WRYLXBFCWJVTDQ-AWEZNQCLSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003635641 710462701 /nfs/dbraw/zinc/46/27/01/710462701.db2.gz QAUJJBYVRUGBMN-DOMZBBRYSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636113 710463071 /nfs/dbraw/zinc/46/30/71/710463071.db2.gz SNPJUTZQTPWLMF-KSSFIOAISA-N 2 0 347.507 1.278 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735977 710517578 /nfs/dbraw/zinc/51/75/78/710517578.db2.gz OIEAQFGWPRPSHE-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003739402 710519996 /nfs/dbraw/zinc/51/99/96/710519996.db2.gz CTNNMBYERZKOOZ-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC001034720171 710886579 /nfs/dbraw/zinc/88/65/79/710886579.db2.gz ABLHYBCRAKXMDE-DJIMGWMZSA-N 2 0 345.491 1.896 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)C1 ZINC001034734730 710917090 /nfs/dbraw/zinc/91/70/90/710917090.db2.gz WOXZYZVOKGRGGK-SZMVWBNQSA-N 2 0 347.507 1.321 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034734740 710917164 /nfs/dbraw/zinc/91/71/64/710917164.db2.gz WZJBJUZTRSSWKK-XLAORIBOSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034734658 710917468 /nfs/dbraw/zinc/91/74/68/710917468.db2.gz URYPVRGVYVUMIA-MHORFTMASA-N 2 0 337.508 1.772 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734789 710917762 /nfs/dbraw/zinc/91/77/62/710917762.db2.gz YXRXTGLKMAJRBW-BRWVUGGUSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)CC2)c1 ZINC001034744224 710937048 /nfs/dbraw/zinc/93/70/48/710937048.db2.gz OSFHYZMRVQSENJ-WKILWMFISA-N 2 0 327.432 1.873 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034737485 710949699 /nfs/dbraw/zinc/94/96/99/710949699.db2.gz JQMVQLLTRKDGNF-MBGYTDRXSA-N 2 0 348.466 1.935 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1 ZINC001034737516 710950149 /nfs/dbraw/zinc/95/01/49/710950149.db2.gz KYZMORDOJOVDJY-JKQORVJESA-N 2 0 348.495 1.013 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)n1 ZINC001032958515 710952056 /nfs/dbraw/zinc/95/20/56/710952056.db2.gz BIFNNWQNOCMYAO-IAGOWNOFSA-N 2 0 333.480 1.127 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC001034776349 711051979 /nfs/dbraw/zinc/05/19/79/711051979.db2.gz PXEVJUOHPPLHCW-YYIAUSFCSA-N 2 0 345.491 1.896 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1)C12CC[NH+](CC1)C2 ZINC001034778784 711082624 /nfs/dbraw/zinc/08/26/24/711082624.db2.gz ZFLFZNRFTQWTBJ-HDJSIYSDSA-N 2 0 334.489 1.756 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC001034792679 711119996 /nfs/dbraw/zinc/11/99/96/711119996.db2.gz KPBWCGIBACGBMG-NCXUSEDFSA-N 2 0 345.487 1.689 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034793363 711123614 /nfs/dbraw/zinc/12/36/14/711123614.db2.gz YFIHWOOCVPEXBF-LXTVHRRPSA-N 2 0 348.495 1.397 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC001034793891 711125202 /nfs/dbraw/zinc/12/52/02/711125202.db2.gz TWYWUSYTBTZKGK-XMTFNYHQSA-N 2 0 337.508 1.914 20 0 EDADRP CC[NH2+]Cc1ccc(CNC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC001034819165 711207090 /nfs/dbraw/zinc/20/70/90/711207090.db2.gz WZHRTRGVVDYGOC-UHFFFAOYSA-N 2 0 329.448 1.484 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC001034882768 711284052 /nfs/dbraw/zinc/28/40/52/711284052.db2.gz ZOXKUWOUQFBRQF-ZBFHGGJFSA-N 2 0 336.867 1.910 20 0 EDADRP Cc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)c(C)n1 ZINC001034883115 711285005 /nfs/dbraw/zinc/28/50/05/711285005.db2.gz LUSDHTFZUQCWKZ-QZTJIDSGSA-N 2 0 330.476 1.873 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc2n(n1)CCC2 ZINC001034883229 711285076 /nfs/dbraw/zinc/28/50/76/711285076.db2.gz BGDQXYLWZSWSJT-IAGOWNOFSA-N 2 0 331.464 1.004 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)c(C)s1 ZINC001034884685 711288299 /nfs/dbraw/zinc/28/82/99/711288299.db2.gz LKEWTAFVJMAHQG-ZBFHGGJFSA-N 2 0 336.505 1.935 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000922387764 711427974 /nfs/dbraw/zinc/42/79/74/711427974.db2.gz MWHLYIPLUNKXBG-OQIJWPOYSA-N 2 0 328.460 1.904 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)o1 ZINC001034956971 711428003 /nfs/dbraw/zinc/42/80/03/711428003.db2.gz HBRAQDIJHDPMCI-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC000922388133 711429827 /nfs/dbraw/zinc/42/98/27/711429827.db2.gz OOWHAPKTGQFXIM-ZAWLATJESA-N 2 0 328.460 1.904 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001034937047 711437642 /nfs/dbraw/zinc/43/76/42/711437642.db2.gz ZXSDUHHCJHCHOK-IAGOWNOFSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001034939691 711442274 /nfs/dbraw/zinc/44/22/74/711442274.db2.gz KRKTZAQQXRSEBS-KBAYOESNSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001034940095 711443404 /nfs/dbraw/zinc/44/34/04/711443404.db2.gz XJMWZHUGQXCYNC-RBSFLKMASA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001034941318 711446222 /nfs/dbraw/zinc/44/62/22/711446222.db2.gz MSTVFLGKWPIWMD-RTBURBONSA-N 2 0 342.487 1.812 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]c(C(=O)OC)c3)C2)[C@H]1C(C)C ZINC000922395054 711451117 /nfs/dbraw/zinc/45/11/17/711451117.db2.gz UAZFHRHRSHUHTF-YWTNHNAXSA-N 2 0 349.475 1.761 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144994 711553516 /nfs/dbraw/zinc/55/35/16/711553516.db2.gz RZKLFUQVPHNSNL-CQSZACIVSA-N 2 0 337.414 1.997 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033126153 711864939 /nfs/dbraw/zinc/86/49/39/711864939.db2.gz KTKKIIWIHGGHJR-SJLPKXTDSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000237186934 282111176 /nfs/dbraw/zinc/11/11/76/282111176.db2.gz HRRQQIGPRLACJV-SFHVURJKSA-N 2 0 341.455 1.986 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3CCCC[C@@H]3CNC(=O)CC[NH3+])cc12 ZINC000261683677 282288569 /nfs/dbraw/zinc/28/85/69/282288569.db2.gz AKQHAHUFKRESNR-OAHLLOKOSA-N 2 0 344.463 1.096 20 0 EDADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1=CC[NH+](C)CC1 ZINC000333311360 299106130 /nfs/dbraw/zinc/10/61/30/299106130.db2.gz VJIWAZYPIKYXII-CABCVRRESA-N 2 0 338.496 1.123 20 0 EDADRP [NH3+][C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000561159748 306283308 /nfs/dbraw/zinc/28/33/08/306283308.db2.gz ZAVZWHCDQPYWKA-OAHLLOKOSA-N 2 0 340.537 1.775 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)N1CCC[NH2+]CC1 ZINC000561202761 306284569 /nfs/dbraw/zinc/28/45/69/306284569.db2.gz BSOOWGIILQNQKZ-SFHVURJKSA-N 2 0 346.475 1.282 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333890040 539658413 /nfs/dbraw/zinc/65/84/13/539658413.db2.gz GSZDNOFUHYAGFG-CVEARBPZSA-N 2 0 338.496 1.461 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000124304930 539685172 /nfs/dbraw/zinc/68/51/72/539685172.db2.gz BKXMNGVTWRRXRZ-KRWDZBQOSA-N 2 0 345.491 1.324 20 0 EDADRP O[C@H](COCc1cccs1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000157432341 539974812 /nfs/dbraw/zinc/97/48/12/539974812.db2.gz BOSPEJMHERNFLN-INIZCTEOSA-N 2 0 333.457 1.843 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361906383 540003340 /nfs/dbraw/zinc/00/33/40/540003340.db2.gz KUKCRCCOPFIWLR-OAHLLOKOSA-N 2 0 348.491 1.842 20 0 EDADRP COc1cc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000563001234 306315423 /nfs/dbraw/zinc/31/54/23/306315423.db2.gz RFXMWEPAJZFTBQ-HNNXBMFYSA-N 2 0 341.883 1.089 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000563013700 306315844 /nfs/dbraw/zinc/31/58/44/306315844.db2.gz LGOPWCJWLUGBDK-RHSMWYFYSA-N 2 0 337.439 1.237 20 0 EDADRP CCC[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000412782797 304037169 /nfs/dbraw/zinc/03/71/69/304037169.db2.gz XNSRTHMEEMPQAQ-SFHVURJKSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000563211207 306323745 /nfs/dbraw/zinc/32/37/45/306323745.db2.gz RHRDVAASYWLEMG-IRXDYDNUSA-N 2 0 336.524 1.441 20 0 EDADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000279964068 540070845 /nfs/dbraw/zinc/07/08/45/540070845.db2.gz CNKAIWCUPAAMGL-WMLDXEAASA-N 2 0 333.476 1.917 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000563530892 306337510 /nfs/dbraw/zinc/33/75/10/306337510.db2.gz RGVWUOMJMODXDV-WOJBJXKFSA-N 2 0 347.478 1.960 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000092615891 138289815 /nfs/dbraw/zinc/28/98/15/138289815.db2.gz ZLHFMCCYUHEOBS-UHFFFAOYSA-N 2 0 335.496 1.528 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000118868293 138313044 /nfs/dbraw/zinc/31/30/44/138313044.db2.gz OICRCDLPMZSDBB-UHFFFAOYSA-N 2 0 347.459 1.695 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000116521518 138311942 /nfs/dbraw/zinc/31/19/42/138311942.db2.gz XEGOLYOHBOKQQZ-YJBOKZPZSA-N 2 0 345.491 1.685 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000124262996 138325512 /nfs/dbraw/zinc/32/55/12/138325512.db2.gz ISBAAFPKLBYUMG-QAPCUYQASA-N 2 0 335.492 1.478 20 0 EDADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000564074202 306354957 /nfs/dbraw/zinc/35/49/57/306354957.db2.gz CLWYHYAUANXSEL-HNNXBMFYSA-N 2 0 332.448 1.042 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321453 306358172 /nfs/dbraw/zinc/35/81/72/306358172.db2.gz KZFGMBKIUOUPND-CABCVRRESA-N 2 0 336.432 1.477 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](CC)C2)C1 ZINC000413846374 304080654 /nfs/dbraw/zinc/08/06/54/304080654.db2.gz TYZPRZBAXQZSNV-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000564644816 306361656 /nfs/dbraw/zinc/36/16/56/306361656.db2.gz LUPHSTQMIUDXJI-JKSUJKDBSA-N 2 0 326.510 1.209 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000564716674 306363465 /nfs/dbraw/zinc/36/34/65/306363465.db2.gz QUOPSFAUBZEUAZ-FHWLQOOXSA-N 2 0 345.487 1.564 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2ccccc2CC[NH3+])C[C@@H](C)O1 ZINC000565152259 306376229 /nfs/dbraw/zinc/37/62/29/306376229.db2.gz ZGOKIFZBCRFABF-HZPDHXFCSA-N 2 0 333.476 1.807 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000417741054 296029020 /nfs/dbraw/zinc/02/90/20/296029020.db2.gz SUMAKXBVGKXSCI-PBHICJAKSA-N 2 0 330.476 1.464 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000565714699 306389520 /nfs/dbraw/zinc/38/95/20/306389520.db2.gz WHLRGTFRQMOWRM-HZPDHXFCSA-N 2 0 348.495 1.272 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000341230812 296056717 /nfs/dbraw/zinc/05/67/17/296056717.db2.gz AQRIDVUVBBYMTE-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000414693627 304128606 /nfs/dbraw/zinc/12/86/06/304128606.db2.gz CNYISYSUYYSVKL-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000414710828 304131211 /nfs/dbraw/zinc/13/12/11/304131211.db2.gz SQIBQAIHGDSFHD-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000414740468 304135742 /nfs/dbraw/zinc/13/57/42/304135742.db2.gz RDKPFSIUWDCODU-RHSMWYFYSA-N 2 0 346.475 1.881 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000357867510 296109517 /nfs/dbraw/zinc/10/95/17/296109517.db2.gz VNESAXPLPHNZFQ-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[C@H](C)[NH3+])c(C)c2)CC1 ZINC000414759086 304137882 /nfs/dbraw/zinc/13/78/82/304137882.db2.gz ZNWNRDFHSBKNAD-HNNXBMFYSA-N 2 0 333.480 1.996 20 0 EDADRP c1cc(OC[C@H]2CCCO2)ccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414773913 304139446 /nfs/dbraw/zinc/13/94/46/304139446.db2.gz AJUSILGQZBWFMW-LJQANCHMSA-N 2 0 333.476 1.629 20 0 EDADRP COc1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc2c1OCO2 ZINC000414784545 304140562 /nfs/dbraw/zinc/14/05/62/304140562.db2.gz ILTAKUGBCFSZSY-AWEZNQCLSA-N 2 0 334.416 1.611 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000414797335 304141585 /nfs/dbraw/zinc/14/15/85/304141585.db2.gz INKPMRODQQNYRJ-DGCLKSJQSA-N 2 0 341.839 1.430 20 0 EDADRP FC1(F)CNCC[C@H]1C[NH2+]Cc1ccccc1N1CCOCC1 ZINC000414997548 304149098 /nfs/dbraw/zinc/14/90/98/304149098.db2.gz HKZLDENPTGJEGX-HNNXBMFYSA-N 2 0 325.403 1.858 20 0 EDADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)ccn1 ZINC000567096758 306437464 /nfs/dbraw/zinc/43/74/64/306437464.db2.gz XOVPWPXMRVRHBM-MAUKXSAKSA-N 2 0 342.418 1.803 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415076925 304157824 /nfs/dbraw/zinc/15/78/24/304157824.db2.gz GZKHOFQNHCANBN-VQIMIIECSA-N 2 0 344.503 1.975 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000415095986 304159405 /nfs/dbraw/zinc/15/94/05/304159405.db2.gz AGGCAKLNXGYSAL-INIZCTEOSA-N 2 0 345.487 1.818 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000415096939 304159684 /nfs/dbraw/zinc/15/96/84/304159684.db2.gz CCNYOMMAKZRSRY-CABCVRRESA-N 2 0 339.505 1.602 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415143548 304164443 /nfs/dbraw/zinc/16/44/43/304164443.db2.gz AZQZYEFBIOBSJB-HOTGVXAUSA-N 2 0 344.459 1.430 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000195519103 139019259 /nfs/dbraw/zinc/01/92/59/139019259.db2.gz NDIZUOUZKZUXAQ-UHFFFAOYSA-N 2 0 337.439 1.594 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000415158523 304167686 /nfs/dbraw/zinc/16/76/86/304167686.db2.gz FPLNTKGNXODRIQ-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP CCN(C(=O)C[NH2+]CCOC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237033959 139038601 /nfs/dbraw/zinc/03/86/01/139038601.db2.gz NJOVKQRLUOZKLQ-FUHWJXTLSA-N 2 0 333.476 1.906 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)[C@@H]3CCCC[NH2+]3)C2)cc(OC)c1 ZINC000237304746 139047178 /nfs/dbraw/zinc/04/71/78/139047178.db2.gz HUIBPPJIFSFNQQ-QAPCUYQASA-N 2 0 347.459 1.536 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000127461755 205101852 /nfs/dbraw/zinc/10/18/52/205101852.db2.gz AONPGJGXEBZBOH-ZWKOTPCHSA-N 3 0 348.535 1.914 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000415203848 304174377 /nfs/dbraw/zinc/17/43/77/304174377.db2.gz UDSDTNLYHOOJLP-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)C1CC1 ZINC000567573755 306455447 /nfs/dbraw/zinc/45/54/47/306455447.db2.gz CZKUPHDIRBQLQR-WMZOPIPTSA-N 2 0 337.508 1.852 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237908746 139063550 /nfs/dbraw/zinc/06/35/50/139063550.db2.gz JYUNNFHYTCPZGK-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000238150793 139069770 /nfs/dbraw/zinc/06/97/70/139069770.db2.gz QDJFGFDMXBVQTE-KRWDZBQOSA-N 2 0 345.443 1.924 20 0 EDADRP C[C@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245730905 139084519 /nfs/dbraw/zinc/08/45/19/139084519.db2.gz VYVMYNODZMXXSO-UPJWGTAASA-N 2 0 330.440 1.360 20 0 EDADRP CCC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000245804343 139086632 /nfs/dbraw/zinc/08/66/32/139086632.db2.gz PTKFUBGKKCGHKS-GVDBMIGSSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000567821130 306464493 /nfs/dbraw/zinc/46/44/93/306464493.db2.gz VSQMPDBGVVNUDH-MWDXBVQZSA-N 2 0 339.528 1.312 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813669 206210906 /nfs/dbraw/zinc/21/09/06/206210906.db2.gz NAZUJBDRVRKKKA-MJGOQNOKSA-N 2 0 346.519 1.679 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000159128404 206227032 /nfs/dbraw/zinc/22/70/32/206227032.db2.gz GCMJTMGMXXZBQX-INIZCTEOSA-N 2 0 333.480 1.639 20 0 EDADRP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c2C1 ZINC000415376821 304208143 /nfs/dbraw/zinc/20/81/43/304208143.db2.gz NICRNWXICNPPBG-KBPBESRZSA-N 2 0 346.475 1.839 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247972063 139156654 /nfs/dbraw/zinc/15/66/54/139156654.db2.gz JSSVUQGICXASBI-QWFCFKBJSA-N 2 0 348.487 1.989 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261825989 139229402 /nfs/dbraw/zinc/22/94/02/139229402.db2.gz MUWOYDANEQBZIS-BBWFWOEESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[NH2+]CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261869335 139232760 /nfs/dbraw/zinc/23/27/60/139232760.db2.gz OLHPEBWSTBWRLY-MRXNPFEDSA-N 2 0 330.476 1.192 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261971707 139240986 /nfs/dbraw/zinc/24/09/86/139240986.db2.gz LNPZESUNROAWHV-QGTPRVQTSA-N 2 0 347.459 1.852 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](c2nc(C3([NH3+])CCC3)no2)CC1=O ZINC000261999437 139242879 /nfs/dbraw/zinc/24/28/79/139242879.db2.gz TYYDFROHOPXXPQ-STQMWFEESA-N 2 0 333.436 1.208 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)NCCC[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000569216340 306500133 /nfs/dbraw/zinc/50/01/33/306500133.db2.gz YFPQRWULADEIGC-KRWDZBQOSA-N 2 0 348.491 1.218 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000262044840 139246270 /nfs/dbraw/zinc/24/62/70/139246270.db2.gz YYUSSUMHCPFQFT-AQNXPRMDSA-N 2 0 347.503 1.874 20 0 EDADRP FC(F)COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262083904 139249628 /nfs/dbraw/zinc/24/96/28/139249628.db2.gz FQNIPOZMMGHJPT-OAHLLOKOSA-N 2 0 325.403 1.810 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH2+]C(C)(C)C)cc2)CC1 ZINC000174236523 207001606 /nfs/dbraw/zinc/00/16/06/207001606.db2.gz LPTQJPSOSOMVLU-UHFFFAOYSA-N 2 0 332.492 1.946 20 0 EDADRP Cc1ccc(OCC(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000262116285 139252260 /nfs/dbraw/zinc/25/22/60/139252260.db2.gz BLJLBDALAQTYFY-UHFFFAOYSA-N 2 0 331.460 1.518 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CN(C)CCO2)[NH+]2CCCC2)c1 ZINC000174425568 207018114 /nfs/dbraw/zinc/01/81/14/207018114.db2.gz GAIMXYPGHCHBJW-ROUUACIJSA-N 2 0 347.459 1.279 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1ccc(F)cc1 ZINC000174724484 207051182 /nfs/dbraw/zinc/05/11/82/207051182.db2.gz RLZDKIJQXBUBAU-UHFFFAOYSA-N 2 0 336.455 1.724 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175264500 207110532 /nfs/dbraw/zinc/11/05/32/207110532.db2.gz ZPLXJPZBRIMVOU-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000415572954 304228837 /nfs/dbraw/zinc/22/88/37/304228837.db2.gz VAJSKTBOBAITJB-UKRRQHHQSA-N 2 0 332.448 1.191 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416833206 251112825 /nfs/dbraw/zinc/11/28/25/251112825.db2.gz VODKTTLJATUKOW-CQSZACIVSA-N 2 0 338.452 1.215 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH2+]C)C1)Cc1ccccc1 ZINC000417010033 251128121 /nfs/dbraw/zinc/12/81/21/251128121.db2.gz OJEKAVMLGVVUIF-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000417012211 251130353 /nfs/dbraw/zinc/13/03/53/251130353.db2.gz WIGJBGVVYQZQDV-UHFFFAOYSA-N 2 0 342.487 1.830 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccsc1 ZINC000417011952 251131269 /nfs/dbraw/zinc/13/12/69/251131269.db2.gz UOFFPTNLOMJJDF-ILXRZTDVSA-N 2 0 340.493 1.105 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000416997335 251123646 /nfs/dbraw/zinc/12/36/46/251123646.db2.gz VVZHTWUCJZDDTN-OAHLLOKOSA-N 2 0 348.495 1.021 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000417172587 251144792 /nfs/dbraw/zinc/14/47/92/251144792.db2.gz KUGNATJWJZKMML-MRXNPFEDSA-N 2 0 334.464 1.741 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000262349588 139272247 /nfs/dbraw/zinc/27/22/47/139272247.db2.gz HDLGGQNAAKYSMS-HOCLYGCPSA-N 2 0 349.475 1.640 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417318036 251158049 /nfs/dbraw/zinc/15/80/49/251158049.db2.gz XXBCHMRRLWQWMF-HRCADAONSA-N 2 0 326.485 1.255 20 0 EDADRP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000262365488 139273578 /nfs/dbraw/zinc/27/35/78/139273578.db2.gz VZXCDGMSXWGDKN-RKVPGOIHSA-N 2 0 333.476 1.754 20 0 EDADRP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1CCOC ZINC000262365465 139273611 /nfs/dbraw/zinc/27/36/11/139273611.db2.gz VZQNIQZMVJYCPU-MTCSXPRVSA-N 2 0 337.508 1.709 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000175846187 207165863 /nfs/dbraw/zinc/16/58/63/207165863.db2.gz KEQQVORGFQCKJZ-KRWDZBQOSA-N 2 0 325.497 1.628 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417567533 251190841 /nfs/dbraw/zinc/19/08/41/251190841.db2.gz NWISUJHRHXQKSF-KRWDZBQOSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262379376 139274613 /nfs/dbraw/zinc/27/46/13/139274613.db2.gz MUIFHOLKJLMQHM-NJAFHUGGSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)[C@H](C)C[NH2+]1 ZINC000417662510 251217556 /nfs/dbraw/zinc/21/75/56/251217556.db2.gz SDGYQGCXRSOFAX-LALPHHSUSA-N 2 0 340.418 1.959 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417673159 251222817 /nfs/dbraw/zinc/22/28/17/251222817.db2.gz VKCFCUQXMAGBNA-IKGGRYGDSA-N 2 0 340.512 1.422 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262444508 139279419 /nfs/dbraw/zinc/27/94/19/139279419.db2.gz VGDSSHPCTBWCCB-HNAWSFBYSA-N 2 0 345.487 1.638 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@](C)(C[NH3+])C2)Cc2ccccc2C1 ZINC000417731604 251246684 /nfs/dbraw/zinc/24/66/84/251246684.db2.gz GEFASPOKCHMREA-GOSISDBHSA-N 2 0 330.476 1.466 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000417749741 251254595 /nfs/dbraw/zinc/25/45/95/251254595.db2.gz JNKHWWXMTOEFSA-RDJZCZTQSA-N 2 0 339.528 1.077 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417834780 251289464 /nfs/dbraw/zinc/28/94/64/251289464.db2.gz FZTNCWWEPZRAIX-UHFFFAOYSA-N 2 0 326.485 1.306 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417802784 251276819 /nfs/dbraw/zinc/27/68/19/251276819.db2.gz DXSNZNQEEKZOCG-CVEARBPZSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417823466 251284045 /nfs/dbraw/zinc/28/40/45/251284045.db2.gz KXDAOVUBAURHSX-AITUJVMLSA-N 2 0 342.487 1.900 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000262505875 139283105 /nfs/dbraw/zinc/28/31/05/139283105.db2.gz JDRRBQGBLAFJDN-SJLPKXTDSA-N 2 0 347.459 1.327 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262518723 139283899 /nfs/dbraw/zinc/28/38/99/139283899.db2.gz KNCYUUMHCYRYAV-SFHVURJKSA-N 2 0 331.460 1.188 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000417851425 251297510 /nfs/dbraw/zinc/29/75/10/251297510.db2.gz YPKAPOHGYBPZGL-OQIJWPOYSA-N 2 0 342.487 1.900 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000418425786 251367657 /nfs/dbraw/zinc/36/76/57/251367657.db2.gz MAHMXEGDIOABQD-WFVVYAPDSA-N 2 0 338.496 1.412 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000418435540 251370272 /nfs/dbraw/zinc/37/02/72/251370272.db2.gz HOPRNBDEMYVSCA-CQSZACIVSA-N 2 0 326.485 1.399 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(F)F ZINC000418706594 251389606 /nfs/dbraw/zinc/38/96/06/251389606.db2.gz HTOSJGLATQAZOY-AWEZNQCLSA-N 2 0 348.438 1.113 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000418723034 251398082 /nfs/dbraw/zinc/39/80/82/251398082.db2.gz NJFOHJCEVPRNQU-HUUCEWRRSA-N 2 0 347.463 1.439 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418680480 251384558 /nfs/dbraw/zinc/38/45/58/251384558.db2.gz XTBSJQDXRWTPMX-BGTYHANMSA-N 2 0 334.508 1.890 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[NH2+]CC2CC2)CC1 ZINC000262636297 139291928 /nfs/dbraw/zinc/29/19/28/139291928.db2.gz HQSVVYWEQUKSKJ-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262655215 139293544 /nfs/dbraw/zinc/29/35/44/139293544.db2.gz TZTZQZCXCXXIDN-ROUUACIJSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262659900 139293951 /nfs/dbraw/zinc/29/39/51/139293951.db2.gz XFQZXHWWDBRAMR-SCTDSRPQSA-N 2 0 345.487 1.893 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262673156 139295340 /nfs/dbraw/zinc/29/53/40/139295340.db2.gz SKAGGFDOTNYDEK-ZWKOTPCHSA-N 2 0 333.476 1.954 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCCC1 ZINC000262677006 139295557 /nfs/dbraw/zinc/29/55/57/139295557.db2.gz SUWSOWAAJVAOJL-UHFFFAOYSA-N 2 0 345.487 1.921 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000262799100 139304411 /nfs/dbraw/zinc/30/44/11/139304411.db2.gz DWAAUFQOHREABB-YJBOKZPZSA-N 2 0 330.476 1.304 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000262835847 139306842 /nfs/dbraw/zinc/30/68/42/139306842.db2.gz SNEYHKXQHXVNNL-SJORKVTESA-N 2 0 345.491 1.756 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422878086 252007982 /nfs/dbraw/zinc/00/79/82/252007982.db2.gz IWHJLBDIRZTPJW-WCXIOVBPSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422897005 252014840 /nfs/dbraw/zinc/01/48/40/252014840.db2.gz BCZLUIBUBONONL-FRFSOERESA-N 2 0 347.459 1.289 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCn3cc(C)nc32)CC[NH2+]CC1 ZINC000423005854 252024464 /nfs/dbraw/zinc/02/44/64/252024464.db2.gz NFQXOJLIRCHYSU-HZPDHXFCSA-N 2 0 348.491 1.980 20 0 EDADRP CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423070604 252033730 /nfs/dbraw/zinc/03/37/30/252033730.db2.gz GIZMUMAYJBHBNM-GJZGRUSLSA-N 2 0 331.526 1.699 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CCC2 ZINC000423481764 252055575 /nfs/dbraw/zinc/05/55/75/252055575.db2.gz ONJVEYPHVFXQML-RHSMWYFYSA-N 2 0 337.489 1.833 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423780777 252070905 /nfs/dbraw/zinc/07/09/05/252070905.db2.gz WTIILWJLJHLZAB-INIZCTEOSA-N 2 0 339.867 1.828 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000422912456 252019914 /nfs/dbraw/zinc/01/99/14/252019914.db2.gz WDYFJYNFHWJYIM-AEFFLSMTSA-N 2 0 338.540 1.830 20 0 EDADRP [NH3+]CC1(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424025131 252117416 /nfs/dbraw/zinc/11/74/16/252117416.db2.gz YFFOHZVRZMUQSB-UHFFFAOYSA-N 3 0 330.476 1.225 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000423786407 252073578 /nfs/dbraw/zinc/07/35/78/252073578.db2.gz PRSVZUSXFKLNOR-INIZCTEOSA-N 2 0 342.447 1.825 20 0 EDADRP CC[C@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000423800260 252081656 /nfs/dbraw/zinc/08/16/56/252081656.db2.gz RDCCBKMUBQMSQG-LJQANCHMSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000424149233 252145145 /nfs/dbraw/zinc/14/51/45/252145145.db2.gz VYTRIKJNIOINKB-RBSFLKMASA-N 2 0 333.480 1.442 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3cn[nH]c3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000424154505 252147948 /nfs/dbraw/zinc/14/79/48/252147948.db2.gz MNQIBSHADQIBNI-YPMHNXCESA-N 2 0 340.431 1.340 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000424182469 252156647 /nfs/dbraw/zinc/15/66/47/252156647.db2.gz ZJZZBLZAQIRJML-CQSZACIVSA-N 2 0 327.432 1.859 20 0 EDADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228982 252173186 /nfs/dbraw/zinc/17/31/86/252173186.db2.gz YDQLUYMEULRCDU-QAPCUYQASA-N 2 0 331.464 1.557 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262940223 139314025 /nfs/dbraw/zinc/31/40/25/139314025.db2.gz ULTICFGPZABXGJ-IAGOWNOFSA-N 2 0 330.476 1.455 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424302568 252193945 /nfs/dbraw/zinc/19/39/45/252193945.db2.gz ZXLVQUZVYBBWJH-MRXNPFEDSA-N 2 0 345.487 1.913 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000112318852 220303344 /nfs/dbraw/zinc/30/33/44/220303344.db2.gz OBOXUOYOAYKLPA-UHFFFAOYSA-N 2 0 346.475 1.791 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716564 285244972 /nfs/dbraw/zinc/24/49/72/285244972.db2.gz SDTWLFSOWGBMDK-KGLIPLIRSA-N 3 0 349.470 1.026 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418584263 285245115 /nfs/dbraw/zinc/24/51/15/285245115.db2.gz ODZVKKMWGHGZFO-BRWVUGGUSA-N 3 0 339.528 1.314 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000341059569 285245280 /nfs/dbraw/zinc/24/52/80/285245280.db2.gz XEXMLYBXSHODGR-DLBZAZTESA-N 3 0 341.544 1.384 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415784588 304269759 /nfs/dbraw/zinc/26/97/59/304269759.db2.gz MPIYCNZKNAMUIE-KGLIPLIRSA-N 2 0 332.448 1.115 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccccc3OC2)CC1 ZINC000493935520 255227382 /nfs/dbraw/zinc/22/73/82/255227382.db2.gz ILFYIDUNOHDVHY-LJQANCHMSA-N 2 0 347.503 1.360 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000494698752 255258737 /nfs/dbraw/zinc/25/87/37/255258737.db2.gz KRMQPSKIBGPMGZ-QGZVFWFLSA-N 3 0 345.491 1.242 20 0 EDADRP O=C1O[C@]2(CN1CN1CCC[C@H]1C[NH+]1CCCC1)C[NH+]1CCC2CC1 ZINC000496322697 255380996 /nfs/dbraw/zinc/38/09/96/255380996.db2.gz IMKIRHFSIWVJLY-HKUYNNGSSA-N 2 0 348.491 1.421 20 0 EDADRP C[C@@H](NC(=O)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000264280438 139392961 /nfs/dbraw/zinc/39/29/61/139392961.db2.gz GXJVGPIKNJAKEQ-DLBZAZTESA-N 2 0 347.503 1.888 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000264280441 139393091 /nfs/dbraw/zinc/39/30/91/139393091.db2.gz GXJVGPIKNJAKEQ-SJORKVTESA-N 2 0 347.503 1.888 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212245 140060928 /nfs/dbraw/zinc/06/09/28/140060928.db2.gz OFEQBKSZYCHMNP-QZEKMECESA-N 2 0 347.507 1.616 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270942711 140204359 /nfs/dbraw/zinc/20/43/59/140204359.db2.gz WPTQZDAIVKRCBU-WMHOYKDJSA-N 2 0 331.460 1.103 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000271664097 140329753 /nfs/dbraw/zinc/32/97/53/140329753.db2.gz LPVUYGFDZWCKNH-HNNXBMFYSA-N 2 0 349.475 1.573 20 0 EDADRP C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000331504565 141040101 /nfs/dbraw/zinc/04/01/01/141040101.db2.gz LZZNZZJYVAXWFT-UKRRQHHQSA-N 2 0 337.489 1.652 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000332875522 141242264 /nfs/dbraw/zinc/24/22/64/141242264.db2.gz OYRHQRXDJWYPMI-BFZKSOEOSA-N 2 0 338.496 1.098 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC[NH2+]1 ZINC000333140659 141270748 /nfs/dbraw/zinc/27/07/48/141270748.db2.gz KVXWHUZKVCHGTL-QLFBSQMISA-N 2 0 329.452 1.023 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000333465973 141321700 /nfs/dbraw/zinc/32/17/00/141321700.db2.gz ZXJQAIDPOLXEIY-JKSUJKDBSA-N 2 0 338.496 1.127 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333630004 141347617 /nfs/dbraw/zinc/34/76/17/141347617.db2.gz ASTLWJMYLHRTHU-AOIWGVFYSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810118 141385788 /nfs/dbraw/zinc/38/57/88/141385788.db2.gz FKJFSZNHBBEITN-YVSFHVDLSA-N 2 0 335.492 1.382 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333853426 141394704 /nfs/dbraw/zinc/39/47/04/141394704.db2.gz OBEJVEJSIIVRAN-MVJTYMMSSA-N 2 0 337.508 1.994 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000339526273 142066167 /nfs/dbraw/zinc/06/61/67/142066167.db2.gz CJYSSBZGHRLBLS-MRXNPFEDSA-N 2 0 349.479 1.160 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC1CC[NH+](CC)CC1 ZINC000339670568 142114384 /nfs/dbraw/zinc/11/43/84/142114384.db2.gz HLCVBTKFWRSHPT-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000340082234 142260106 /nfs/dbraw/zinc/26/01/06/142260106.db2.gz KQMJPRHFDWVFAY-GXTWGEPZSA-N 2 0 328.254 1.723 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000340374832 142365135 /nfs/dbraw/zinc/36/51/35/142365135.db2.gz POTHDKWNBBFRAD-HKUYNNGSSA-N 2 0 330.476 1.186 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000345641284 143115473 /nfs/dbraw/zinc/11/54/73/143115473.db2.gz OMDPWIHWMQCQMV-IRXDYDNUSA-N 2 0 337.439 1.654 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc2)CC1 ZINC000345750968 143128864 /nfs/dbraw/zinc/12/88/64/143128864.db2.gz BVDRCOFVFDNJOO-HNNXBMFYSA-N 2 0 340.418 1.745 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000345760090 143130042 /nfs/dbraw/zinc/13/00/42/143130042.db2.gz MQIZGBJLZKZOCG-IJEWVQPXSA-N 2 0 328.526 1.548 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000345782543 143132897 /nfs/dbraw/zinc/13/28/97/143132897.db2.gz YZSNIUGENUQWKW-ZIAGYGMSSA-N 2 0 341.402 1.931 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000346580532 143218488 /nfs/dbraw/zinc/21/84/88/143218488.db2.gz YCEAYDZDCVRLMC-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000346662197 143228367 /nfs/dbraw/zinc/22/83/67/143228367.db2.gz BMZZSUBIZXDNAT-BBRMVZONSA-N 2 0 349.431 1.146 20 0 EDADRP Cc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)ccc1-n1cncn1 ZINC000346671863 143229622 /nfs/dbraw/zinc/22/96/22/143229622.db2.gz HLIMUVDJIBICEZ-UHFFFAOYSA-N 2 0 329.448 1.906 20 0 EDADRP CCOCCN1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1CC ZINC000346818194 143248736 /nfs/dbraw/zinc/24/87/36/143248736.db2.gz GQKHORUBZINSMN-BBWFWOEESA-N 2 0 325.497 1.819 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000347017443 143272092 /nfs/dbraw/zinc/27/20/92/143272092.db2.gz DPFOWPDJQDLDNR-CYBMUJFWSA-N 2 0 333.461 1.221 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000347241643 143299212 /nfs/dbraw/zinc/29/92/12/143299212.db2.gz DPRAMHXWDJQPAU-IKGGRYGDSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)C(C)C ZINC000347752187 143358213 /nfs/dbraw/zinc/35/82/13/143358213.db2.gz BURRHQDBGXJLJM-HOTGVXAUSA-N 2 0 340.512 1.163 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000572880999 306602658 /nfs/dbraw/zinc/60/26/58/306602658.db2.gz XAPSBTPWLIZRNM-SOUVJXGZSA-N 2 0 348.491 1.474 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369766810 155169512 /nfs/dbraw/zinc/16/95/12/155169512.db2.gz ODNWTTHPLTUGRT-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000573205369 306615350 /nfs/dbraw/zinc/61/53/50/306615350.db2.gz MMJLGOXVRPIBKH-VBQJREDUSA-N 2 0 326.444 1.496 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000416842571 304350524 /nfs/dbraw/zinc/35/05/24/304350524.db2.gz NKNWCYBJIHAVAM-HOCLYGCPSA-N 2 0 334.464 1.726 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000416844244 304350830 /nfs/dbraw/zinc/35/08/30/304350830.db2.gz PYKQDEIPUWMOGI-DLBZAZTESA-N 2 0 346.475 1.869 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000352672778 149112161 /nfs/dbraw/zinc/11/21/61/149112161.db2.gz AQCDXIRZNMJQFV-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000416897335 304354255 /nfs/dbraw/zinc/35/42/55/304354255.db2.gz XNFYYVOYMWNACS-CQSZACIVSA-N 2 0 326.391 1.545 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000416971692 304357805 /nfs/dbraw/zinc/35/78/05/304357805.db2.gz DPBGDBFQTNDGFO-RDJZCZTQSA-N 2 0 348.491 1.753 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000416972340 304358172 /nfs/dbraw/zinc/35/81/72/304358172.db2.gz GANOCQZYTLZBMG-CQSZACIVSA-N 2 0 344.406 1.409 20 0 EDADRP C[NH2+]CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000416976892 304359458 /nfs/dbraw/zinc/35/94/58/304359458.db2.gz AIKTZBMIIUIMLU-ZIAGYGMSSA-N 2 0 335.452 1.104 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355267485 150192091 /nfs/dbraw/zinc/19/20/91/150192091.db2.gz DISGRMZXPKREQB-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@@H]2C1 ZINC000355383028 150245596 /nfs/dbraw/zinc/24/55/96/150245596.db2.gz KJSZNLZFJZUPPR-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000417041470 304365310 /nfs/dbraw/zinc/36/53/10/304365310.db2.gz PPHAXJZRWBEODC-SJORKVTESA-N 2 0 332.448 1.063 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3OCCN(C)[C@H]3C2)[NH+](C)C)cc1 ZINC000357775279 151148244 /nfs/dbraw/zinc/14/82/44/151148244.db2.gz XIAZFWJJUXEJJR-BZSNNMDCSA-N 2 0 346.475 1.322 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357960637 151212154 /nfs/dbraw/zinc/21/21/54/151212154.db2.gz QOASTKJTFYAPNC-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000358073270 151259715 /nfs/dbraw/zinc/25/97/15/151259715.db2.gz BKMSVTMXJAEZMX-PKOBYXMFSA-N 2 0 331.460 1.224 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@H](C)C1 ZINC000358151720 151289450 /nfs/dbraw/zinc/28/94/50/151289450.db2.gz FWKSXLKMDLBNDW-NJAFHUGGSA-N 2 0 328.497 1.501 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000358277572 151324903 /nfs/dbraw/zinc/32/49/03/151324903.db2.gz PSAWHSQNJRGYIW-KRWDZBQOSA-N 2 0 340.512 1.349 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000358303907 151331644 /nfs/dbraw/zinc/33/16/44/151331644.db2.gz BQWIWTLFJARPAV-INIZCTEOSA-N 2 0 330.432 1.366 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000358419813 151368652 /nfs/dbraw/zinc/36/86/52/151368652.db2.gz JMPSYSWFVOCDPJ-SJORKVTESA-N 2 0 342.528 1.763 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000358481018 151390835 /nfs/dbraw/zinc/39/08/35/151390835.db2.gz OPFOTVYVIRDTPX-UHFFFAOYSA-N 2 0 341.544 1.386 20 0 EDADRP CSC1(CNC(=O)NCCC[NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000358483566 151391450 /nfs/dbraw/zinc/39/14/50/151391450.db2.gz WPCYJZVZXDOSLP-UHFFFAOYSA-N 2 0 342.553 1.989 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC(C[NH+](C)C)CC2)ccn1 ZINC000358529571 151408188 /nfs/dbraw/zinc/40/81/88/151408188.db2.gz MICDLAXHSMLKNU-UHFFFAOYSA-N 2 0 334.464 1.436 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000417115014 304373865 /nfs/dbraw/zinc/37/38/65/304373865.db2.gz OOCKIGQJSQPXHX-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000359262452 151661292 /nfs/dbraw/zinc/66/12/92/151661292.db2.gz MIYCHLWHKAKELU-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP CSC1(CNC(=O)N(CC[NH+](C)C)C(C)C)CC[NH+](C)CC1 ZINC000360696503 152156973 /nfs/dbraw/zinc/15/69/73/152156973.db2.gz RWZYIQIHZPKJBX-UHFFFAOYSA-N 2 0 330.542 1.795 20 0 EDADRP CSC1(CNC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000360698745 152158590 /nfs/dbraw/zinc/15/85/90/152158590.db2.gz WSPIJJXCPKPXQC-HNNXBMFYSA-N 2 0 342.553 1.797 20 0 EDADRP COc1ccc(Cl)cc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420453343 286317614 /nfs/dbraw/zinc/31/76/14/286317614.db2.gz JYHGSODDKLIKFG-UHFFFAOYSA-N 2 0 335.857 1.037 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NCC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000417161570 304379307 /nfs/dbraw/zinc/37/93/07/304379307.db2.gz FGAOCSIHENCCSH-QGZVFWFLSA-N 2 0 346.475 1.741 20 0 EDADRP CCS(=O)(=O)NCCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000362107974 152616306 /nfs/dbraw/zinc/61/63/06/152616306.db2.gz ZPYOQXWZNXYYGE-HNNXBMFYSA-N 2 0 343.537 1.512 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H](C)C[NH2+]C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163782 155358685 /nfs/dbraw/zinc/35/86/85/155358685.db2.gz QHAODVUNYIHOBU-LSDHHAIUSA-N 2 0 333.480 1.229 20 0 EDADRP CN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000417179814 304381062 /nfs/dbraw/zinc/38/10/62/304381062.db2.gz GBOSOVQPWBNUFF-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000363743282 153043777 /nfs/dbraw/zinc/04/37/77/153043777.db2.gz JAADARYMUPBDMQ-QGZVFWFLSA-N 2 0 339.524 1.802 20 0 EDADRP C[C@H]1C[N@H+](CCO[C@H]2CCCCO2)CCN1C1CC[NH+](C)CC1 ZINC000364461280 153243737 /nfs/dbraw/zinc/24/37/37/153243737.db2.gz LIMGORZYDKMUHY-WMZOPIPTSA-N 2 0 325.497 1.630 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000417200137 304384210 /nfs/dbraw/zinc/38/42/10/304384210.db2.gz STXXOILJFBIEHM-KURKYZTESA-N 2 0 332.492 1.976 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226024 304385989 /nfs/dbraw/zinc/38/59/89/304385989.db2.gz ZKMRBOCVQZLGNK-BGTYHANMSA-N 2 0 328.460 1.683 20 0 EDADRP COC[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000367212007 154043350 /nfs/dbraw/zinc/04/33/50/154043350.db2.gz GWPMCBDNTHPTIF-QGZVFWFLSA-N 2 0 333.476 1.654 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)ccn2)CC1 ZINC000367588215 154189088 /nfs/dbraw/zinc/18/90/88/154189088.db2.gz LNADKZOVMYSZIT-QRVBRYPASA-N 3 0 343.519 1.796 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000367595025 154193273 /nfs/dbraw/zinc/19/32/73/154193273.db2.gz UVOHQYYSYKYEKK-PVAVHDDUSA-N 2 0 349.500 1.352 20 0 EDADRP C[C@H]1CSC[C@@H]1NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367776954 154264822 /nfs/dbraw/zinc/26/48/22/154264822.db2.gz PMSUIFQXWXGXCU-BBRMVZONSA-N 2 0 340.537 1.596 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CCCSC1 ZINC000367783635 154268879 /nfs/dbraw/zinc/26/88/79/154268879.db2.gz MYRGUVDLNSGDAE-HNNXBMFYSA-N 2 0 337.537 1.856 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000367877428 154308893 /nfs/dbraw/zinc/30/88/93/154308893.db2.gz HBRLGPWUUVCXMK-UHFFFAOYSA-N 2 0 347.507 1.831 20 0 EDADRP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000367949272 154338759 /nfs/dbraw/zinc/33/87/59/154338759.db2.gz CFNYNHBKBHLAPW-YQFWSFKMSA-N 2 0 338.448 1.406 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000368027470 154373893 /nfs/dbraw/zinc/37/38/93/154373893.db2.gz WLZKVFPEAKNTLN-ZWKOTPCHSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417340349 304392432 /nfs/dbraw/zinc/39/24/32/304392432.db2.gz MEJCGGUGZRKAQU-HNAYVOBHSA-N 2 0 342.487 1.969 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H]1C ZINC000369547214 155082483 /nfs/dbraw/zinc/08/24/83/155082483.db2.gz RQJIJJZDJHNDNV-XNIRIUNOSA-N 2 0 338.496 1.100 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000370592762 155569430 /nfs/dbraw/zinc/56/94/30/155569430.db2.gz IWUCDYUFRBMIQT-ZWKOTPCHSA-N 2 0 330.476 1.927 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372314139 156326418 /nfs/dbraw/zinc/32/64/18/156326418.db2.gz YVQSXBHTLWPRFZ-DLBZAZTESA-N 2 0 346.475 1.313 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372336185 156338650 /nfs/dbraw/zinc/33/86/50/156338650.db2.gz DTDZLBJGYCYLMA-KVSKMBFKSA-N 2 0 328.460 1.954 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372367761 156355464 /nfs/dbraw/zinc/35/54/64/156355464.db2.gz HRIXACANMYJPQG-QGZVFWFLSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000372419658 156380678 /nfs/dbraw/zinc/38/06/78/156380678.db2.gz DOLVPDNIAVOANK-BBWFWOEESA-N 2 0 349.519 1.819 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523414 304403148 /nfs/dbraw/zinc/40/31/48/304403148.db2.gz HXAZZEMPMPDOEL-YJBOKZPZSA-N 2 0 348.491 1.467 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)CN1CCC(c2c[nH]cn2)CC1)C(=O)OC ZINC000374201470 157191717 /nfs/dbraw/zinc/19/17/17/157191717.db2.gz WGYNCCRSGNDNIM-LRDDRELGSA-N 2 0 336.436 1.293 20 0 EDADRP C[C@@H]1CN(CCN(C)C2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000374290993 157227831 /nfs/dbraw/zinc/22/78/31/157227831.db2.gz AORUAOOQRWXUND-MRXNPFEDSA-N 2 0 325.497 1.282 20 0 EDADRP CCOCCNC(=O)CN(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374753111 157388132 /nfs/dbraw/zinc/38/81/32/157388132.db2.gz UCWDMFGLWPFDFN-UHFFFAOYSA-N 2 0 348.491 1.173 20 0 EDADRP CSC1(CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[NH+](C)CC1 ZINC000359274117 286656349 /nfs/dbraw/zinc/65/63/49/286656349.db2.gz NTMKNWKPFLADFX-HNNXBMFYSA-N 2 0 325.522 1.804 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378128026 158086129 /nfs/dbraw/zinc/08/61/29/158086129.db2.gz HRIGONLZFFJCSH-HNNXBMFYSA-N 2 0 328.464 1.369 20 0 EDADRP COCC[C@@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000378210070 158111570 /nfs/dbraw/zinc/11/15/70/158111570.db2.gz LRXSBFIDERRACI-IBGZPJMESA-N 2 0 349.475 1.972 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000352341322 162128557 /nfs/dbraw/zinc/12/85/57/162128557.db2.gz WZVZDILEHQUJHL-ULQDDVLXSA-N 2 0 340.512 1.203 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000352429820 162177446 /nfs/dbraw/zinc/17/74/46/162177446.db2.gz COOZFGBLZLAXIR-OALUTQOASA-N 2 0 348.535 1.489 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352534395 162237388 /nfs/dbraw/zinc/23/73/88/162237388.db2.gz GEHGZJSSJQURIN-KRWDZBQOSA-N 2 0 337.489 1.512 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCOC1 ZINC000156899048 287041072 /nfs/dbraw/zinc/04/10/72/287041072.db2.gz AWHPUKFOJFCJOO-MNEFBYGVSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418188636 304462097 /nfs/dbraw/zinc/46/20/97/304462097.db2.gz GQUKTHYVINAMTB-INIZCTEOSA-N 2 0 349.479 1.339 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)NCC2C[NH2+]C2)[NH+](C)C)cc1 ZINC000418207505 304463901 /nfs/dbraw/zinc/46/39/01/304463901.db2.gz PKBHBSBVFQNUNB-KRWDZBQOSA-N 2 0 334.464 1.595 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)C(C)C ZINC000073440884 287259804 /nfs/dbraw/zinc/25/98/04/287259804.db2.gz GVKXXEORGHYKQM-KRWDZBQOSA-N 2 0 341.544 1.288 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000081568319 287314231 /nfs/dbraw/zinc/31/42/31/287314231.db2.gz DXLHHJYMPLYWKY-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP CCCNC(=O)C[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000088669926 287319537 /nfs/dbraw/zinc/31/95/37/287319537.db2.gz LLJSKWVTOKXDRV-UHFFFAOYSA-N 2 0 332.492 1.834 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000418418530 304494267 /nfs/dbraw/zinc/49/42/67/304494267.db2.gz XLZQPAHFWXQAFI-JKSUJKDBSA-N 2 0 326.485 1.114 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[NH+]1CCCCC1 ZINC000194600762 273004146 /nfs/dbraw/zinc/00/41/46/273004146.db2.gz DCMABEUMHSFUFN-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237082656 273007568 /nfs/dbraw/zinc/00/75/68/273007568.db2.gz OPVZZNGUBTZTDY-GOSISDBHSA-N 2 0 332.492 1.609 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000237097354 273007661 /nfs/dbraw/zinc/00/76/61/273007661.db2.gz XXTPMAOAOVVWQU-INIZCTEOSA-N 2 0 348.447 1.284 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000089151757 267435589 /nfs/dbraw/zinc/43/55/89/267435589.db2.gz YXPLVRINEMBKOG-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP Cc1nn2c(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)c(C)nc2s1 ZINC000274436988 268139258 /nfs/dbraw/zinc/13/92/58/268139258.db2.gz AMBMPQTUOMKHFG-GFCCVEGCSA-N 2 0 336.509 1.523 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273062211 273026720 /nfs/dbraw/zinc/02/67/20/273026720.db2.gz JEKLJSRRPDOVCJ-PKOBYXMFSA-N 2 0 345.487 1.688 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275545141 268358195 /nfs/dbraw/zinc/35/81/95/268358195.db2.gz FUHUHWISEOIXTK-HNNXBMFYSA-N 2 0 348.491 1.576 20 0 EDADRP CC[C@@]1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000274341144 273085659 /nfs/dbraw/zinc/08/56/59/273085659.db2.gz AXOXOSBMXDSBLQ-IBGZPJMESA-N 2 0 330.476 1.905 20 0 EDADRP COc1ccc2c(c1)C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000104533277 272919604 /nfs/dbraw/zinc/91/96/04/272919604.db2.gz LMYHNOZGEHKZBI-MRXNPFEDSA-N 2 0 349.475 1.198 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000277677574 273215494 /nfs/dbraw/zinc/21/54/94/273215494.db2.gz UYLOQALSVBLKAL-LAVFITLUSA-N 2 0 331.460 1.221 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000279330193 273293446 /nfs/dbraw/zinc/29/34/46/273293446.db2.gz TVDOMOOESARZTF-RYQLBKOJSA-N 2 0 333.476 1.546 20 0 EDADRP COCC[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279540505 273305141 /nfs/dbraw/zinc/30/51/41/273305141.db2.gz AIEXSCMAHHVIGX-UHFFFAOYSA-N 2 0 337.855 1.979 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283942594 274020298 /nfs/dbraw/zinc/02/02/98/274020298.db2.gz JHIHAOBPGMPUEF-QGZVFWFLSA-N 2 0 348.491 1.206 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000284477787 274216666 /nfs/dbraw/zinc/21/66/66/274216666.db2.gz ASAWUQKRFPBPNV-UHFFFAOYSA-N 2 0 349.475 1.389 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)c2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000368391514 274351537 /nfs/dbraw/zinc/35/15/37/274351537.db2.gz FGQPGNZKUWPFEE-BEFAXECRSA-N 2 0 335.467 1.959 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1 ZINC000080565289 276170490 /nfs/dbraw/zinc/17/04/90/276170490.db2.gz JHICXRCYJDEUIJ-QGZVFWFLSA-N 2 0 333.480 1.639 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(OC)ccc1O ZINC000101670945 276170657 /nfs/dbraw/zinc/17/06/57/276170657.db2.gz BZVFENHSGKTPEG-OAHLLOKOSA-N 2 0 349.475 1.889 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000116449570 276309864 /nfs/dbraw/zinc/30/98/64/276309864.db2.gz UDEPEEIYQAORPH-OALUTQOASA-N 2 0 347.503 1.888 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H]1CC[C@@H](CO)O1)C1CC[NH+](C)CC1 ZINC000353717908 277003248 /nfs/dbraw/zinc/00/32/48/277003248.db2.gz ZLJLHCBVBNDLOA-MOPGFXCFSA-N 2 0 347.503 1.847 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CCC3(CC2)C(=O)Nc2ccccc23)CC1 ZINC000268991508 277032124 /nfs/dbraw/zinc/03/21/24/277032124.db2.gz MRVUDESOYQBBSK-UHFFFAOYSA-N 2 0 343.471 1.865 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)NCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417014779 277105037 /nfs/dbraw/zinc/10/50/37/277105037.db2.gz FXHGABRHXJXIOQ-KRWDZBQOSA-N 2 0 333.480 1.013 20 0 EDADRP CN1CCN(c2ncc(C[N@H+](CCC[NH3+])CC3CCCC3)cn2)CC1 ZINC000352539430 277114402 /nfs/dbraw/zinc/11/44/02/277114402.db2.gz ANQQQDCTIFOVKX-UHFFFAOYSA-N 2 0 346.523 1.569 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353970 277579334 /nfs/dbraw/zinc/57/93/34/277579334.db2.gz CIRPNJIHFFBKRQ-KFWWJZLASA-N 2 0 336.484 1.113 20 0 EDADRP CS[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1N(C)C ZINC000337318962 278154373 /nfs/dbraw/zinc/15/43/73/278154373.db2.gz NJIMMOMJFQMAEF-IAGOWNOFSA-N 2 0 328.570 1.380 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)N[C@H](C)CC)CC2)CC1 ZINC000369156976 278824917 /nfs/dbraw/zinc/82/49/17/278824917.db2.gz QGZKWVVOZGECNR-IAGOWNOFSA-N 2 0 338.540 1.782 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000424080734 278954740 /nfs/dbraw/zinc/95/47/40/278954740.db2.gz VUTZOSMGJALXIP-HLLBOEOZSA-N 2 0 345.491 1.279 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000423774764 279094105 /nfs/dbraw/zinc/09/41/05/279094105.db2.gz BXCXGZHSJJENBE-HNNXBMFYSA-N 2 0 336.484 1.224 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000349779910 279096804 /nfs/dbraw/zinc/09/68/04/279096804.db2.gz AWXHGUFTZJGSCZ-INIZCTEOSA-N 2 0 325.497 1.583 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333614919 279190825 /nfs/dbraw/zinc/19/08/25/279190825.db2.gz SMSXPWQPKNSJQF-OAHLLOKOSA-N 2 0 345.491 1.914 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C1CC1 ZINC000353241893 279198640 /nfs/dbraw/zinc/19/86/40/279198640.db2.gz XKAFXFKSXKNVLO-UHFFFAOYSA-N 2 0 326.485 1.005 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352435964 279362721 /nfs/dbraw/zinc/36/27/21/279362721.db2.gz WVAYNMSYTNLVSA-ZACQAIPSSA-N 2 0 345.553 1.205 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287684874 288295096 /nfs/dbraw/zinc/29/50/96/288295096.db2.gz IJEDUJBKSRELRE-GOSISDBHSA-N 2 0 339.911 1.813 20 0 EDADRP COc1nc(C)cc(C)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000287739873 288310673 /nfs/dbraw/zinc/31/06/73/288310673.db2.gz LCXNZYPXSGIMSG-UHFFFAOYSA-N 2 0 348.491 1.597 20 0 EDADRP C[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287930921 288359433 /nfs/dbraw/zinc/35/94/33/288359433.db2.gz GMDLVGZOBXEWFH-NVXWUHKLSA-N 2 0 348.491 1.434 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000358415861 282009634 /nfs/dbraw/zinc/00/96/34/282009634.db2.gz RNHZILKMEWXVRI-HNNXBMFYSA-N 2 0 326.529 1.685 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000288086920 288400457 /nfs/dbraw/zinc/40/04/57/288400457.db2.gz HPFPMUDVWWPTAW-HNNXBMFYSA-N 2 0 346.475 1.330 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290218222 288859927 /nfs/dbraw/zinc/85/99/27/288859927.db2.gz STAKVZDVXZWJMU-QZTJIDSGSA-N 3 0 345.491 1.098 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000290994888 288986493 /nfs/dbraw/zinc/98/64/93/288986493.db2.gz AQFCZWYZKTXKDJ-HNNXBMFYSA-N 2 0 325.453 1.567 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000347085551 289038278 /nfs/dbraw/zinc/03/82/78/289038278.db2.gz LYWQAYYWYUQRQQ-JFIYKMOQSA-N 2 0 337.508 1.555 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000346185323 289068073 /nfs/dbraw/zinc/06/80/73/289068073.db2.gz YHOZXTSBWFTUIQ-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000261973463 289224782 /nfs/dbraw/zinc/22/47/82/289224782.db2.gz BSWYZKMPOXNSOL-GDBMZVCRSA-N 2 0 325.478 1.544 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292362597 289326190 /nfs/dbraw/zinc/32/61/90/289326190.db2.gz YTUMUMGXKMPAFU-DLBZAZTESA-N 2 0 346.519 1.923 20 0 EDADRP C[NH+](C)[C@H]1CCCN(CC(O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000373899149 289373183 /nfs/dbraw/zinc/37/31/83/289373183.db2.gz UTJZBBJTXUIIEX-ROUUACIJSA-N 3 0 340.556 1.180 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000367284022 290047201 /nfs/dbraw/zinc/04/72/01/290047201.db2.gz CBXCUCVEIXKFNA-RBUKOAKNSA-N 2 0 339.524 1.879 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000356246282 290083682 /nfs/dbraw/zinc/08/36/82/290083682.db2.gz SNJCGKWUDXQSEL-OAGGEKHMSA-N 2 0 325.497 1.410 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H]1C ZINC000351883069 290095174 /nfs/dbraw/zinc/09/51/74/290095174.db2.gz MZEVPURHXFTGDG-VQHPVUNQSA-N 2 0 340.512 1.346 20 0 EDADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363715211 293019542 /nfs/dbraw/zinc/01/95/42/293019542.db2.gz UNLDUTDMBVEZAB-FVQBIDKESA-N 2 0 339.505 1.697 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCO1 ZINC000249066757 297000990 /nfs/dbraw/zinc/00/09/90/297000990.db2.gz QKZBAXKSBISONN-KZNAEPCWSA-N 2 0 339.524 1.528 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000423873487 295241274 /nfs/dbraw/zinc/24/12/74/295241274.db2.gz AIHMLVMOHDNJMQ-MSOLQXFVSA-N 2 0 347.459 1.327 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@@H]2CSCC[NH2+]2)[NH+](C)C)c1 ZINC000174432942 295314009 /nfs/dbraw/zinc/31/40/09/295314009.db2.gz MXUWXRJOLLVWPY-GDBMZVCRSA-N 2 0 337.489 1.509 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422828950 299998686 /nfs/dbraw/zinc/99/86/86/299998686.db2.gz OZWIXKPHBXBSSV-GJZGRUSLSA-N 2 0 336.480 1.609 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000362860931 300225219 /nfs/dbraw/zinc/22/52/19/300225219.db2.gz CNAMZAQJNUGIBV-DLBZAZTESA-N 2 0 336.524 1.251 20 0 EDADRP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3[C@H]3CCCO3)cnc12 ZINC000377719076 447314258 /nfs/dbraw/zinc/31/42/58/447314258.db2.gz GSQFMFPTEAYTDT-BFYDXBDKSA-N 2 0 328.416 1.559 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000420475428 304763329 /nfs/dbraw/zinc/76/33/29/304763329.db2.gz WRWKNKYRSITYTE-LSDHHAIUSA-N 2 0 325.478 1.544 20 0 EDADRP CC(C)CCc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420462674 304760853 /nfs/dbraw/zinc/76/08/53/304760853.db2.gz VXAQEZOHDIRWFH-UHFFFAOYSA-N 2 0 341.521 1.964 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000295532526 303230633 /nfs/dbraw/zinc/23/06/33/303230633.db2.gz RLJATBFUKPOVDI-INIZCTEOSA-N 2 0 349.475 1.204 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000414859307 447331864 /nfs/dbraw/zinc/33/18/64/447331864.db2.gz MESXBKUQMONPGF-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458372313 447332326 /nfs/dbraw/zinc/33/23/26/447332326.db2.gz QQRZAENPBGHPOZ-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000419664693 447332586 /nfs/dbraw/zinc/33/25/86/447332586.db2.gz MTBWFSBXJNTODH-XYPWUTKMSA-N 2 0 338.496 1.011 20 0 EDADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCN2CC[NH2+]CC2)c(Cl)c1 ZINC000414873278 447337254 /nfs/dbraw/zinc/33/72/54/447337254.db2.gz XNGIWNYJFMHERR-AWEZNQCLSA-N 2 0 338.883 1.860 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](CC)CC2)C12CCCC2 ZINC000411721925 303909491 /nfs/dbraw/zinc/90/94/91/303909491.db2.gz PRXFJFASNRMMBH-DLBZAZTESA-N 2 0 337.508 1.914 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414884956 447344199 /nfs/dbraw/zinc/34/41/99/447344199.db2.gz OQGCZEZWZCTOFA-AWEZNQCLSA-N 2 0 346.475 1.883 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000414888128 447345418 /nfs/dbraw/zinc/34/54/18/447345418.db2.gz XRIRZIOBZPYVRL-CYBMUJFWSA-N 2 0 332.448 1.334 20 0 EDADRP C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422914874 304880040 /nfs/dbraw/zinc/88/00/40/304880040.db2.gz WICIQQCVNUWTIN-MJGOQNOKSA-N 2 0 344.503 1.846 20 0 EDADRP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101775 304886285 /nfs/dbraw/zinc/88/62/85/304886285.db2.gz JHOHOQYWYRIQNO-QSFMABPGSA-N 2 0 348.487 1.990 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423106635 304886337 /nfs/dbraw/zinc/88/63/37/304886337.db2.gz JYMNLTPACKSLJY-OLZOCXBDSA-N 2 0 345.896 1.514 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117763 304887484 /nfs/dbraw/zinc/88/74/84/304887484.db2.gz WZUPAYSSZWWBPG-GXFFZTMASA-N 2 0 349.859 1.474 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423273575 304890872 /nfs/dbraw/zinc/89/08/72/304890872.db2.gz LDOFDUACXHIWLK-SUMWQHHRSA-N 2 0 337.489 1.691 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423333967 304892832 /nfs/dbraw/zinc/89/28/32/304892832.db2.gz RZQZHHHBDLNWSU-GJZGRUSLSA-N 2 0 335.496 1.593 20 0 EDADRP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423336445 304893162 /nfs/dbraw/zinc/89/31/62/304893162.db2.gz SSYSVCXTJFAJHW-RHSMWYFYSA-N 2 0 339.505 1.977 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000423417765 304895259 /nfs/dbraw/zinc/89/52/59/304895259.db2.gz SVXMLVKJNMZROQ-INIZCTEOSA-N 2 0 340.512 1.154 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000423746731 304907733 /nfs/dbraw/zinc/90/77/33/304907733.db2.gz RKPLVSDYYUKVQN-MSOLQXFVSA-N 2 0 348.466 1.106 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000427993028 305003253 /nfs/dbraw/zinc/00/32/53/305003253.db2.gz OAILFOAFOJYHOJ-CABCVRRESA-N 2 0 325.497 1.865 20 0 EDADRP C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000429777919 305036942 /nfs/dbraw/zinc/03/69/42/305036942.db2.gz XPEPVNQUXFDISA-NEWSRXKRSA-N 2 0 347.503 1.888 20 0 EDADRP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(C[NH3+])CC1 ZINC000430643057 305061028 /nfs/dbraw/zinc/06/10/28/305061028.db2.gz LGJUGNSRENUKOX-CQSZACIVSA-N 2 0 347.459 1.176 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000430663900 305061929 /nfs/dbraw/zinc/06/19/29/305061929.db2.gz KMLNIBJGIYPDAX-KRWDZBQOSA-N 2 0 330.476 1.300 20 0 EDADRP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000430747938 305064059 /nfs/dbraw/zinc/06/40/59/305064059.db2.gz NZHSZPOJKOXNSF-ZIAGYGMSSA-N 2 0 334.468 1.195 20 0 EDADRP CC[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000430767321 305064405 /nfs/dbraw/zinc/06/44/05/305064405.db2.gz VYNUNAPFQMIERJ-MSOLQXFVSA-N 2 0 331.460 1.318 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000430840714 305065752 /nfs/dbraw/zinc/06/57/52/305065752.db2.gz YKIPUCFYMRKBAM-WBVHZDCISA-N 2 0 347.459 1.327 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)COC1C[NH2+]C1 ZINC000430877286 305066676 /nfs/dbraw/zinc/06/66/76/305066676.db2.gz WGOCDRXOCWRWJO-UHFFFAOYSA-N 2 0 335.473 1.471 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@H](C)C[NH3+])CC1 ZINC000430950007 305070090 /nfs/dbraw/zinc/07/00/90/305070090.db2.gz PFZRYTLGGMKBRP-QGZVFWFLSA-N 2 0 332.492 1.308 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430950284 305070170 /nfs/dbraw/zinc/07/01/70/305070170.db2.gz QQYKWRQBEHEDHY-STQMWFEESA-N 2 0 332.448 1.432 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000430950616 305070441 /nfs/dbraw/zinc/07/04/41/305070441.db2.gz IHYSXSIPYCSCDN-KBXCAEBGSA-N 2 0 349.450 1.785 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]Cc3ccccc32)CC1 ZINC000430959071 305070870 /nfs/dbraw/zinc/07/08/70/305070870.db2.gz VZVMQYZLSOSNHF-UHFFFAOYSA-N 2 0 330.476 1.585 20 0 EDADRP C[NH2+]C[C@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430971927 305071741 /nfs/dbraw/zinc/07/17/41/305071741.db2.gz QDROYOPSVNPALY-LJQANCHMSA-N 2 0 344.503 1.440 20 0 EDADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034223 305073251 /nfs/dbraw/zinc/07/32/51/305073251.db2.gz NJCSQKXEWDAOOT-HNNXBMFYSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@@H](COc1cccc(F)c1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433113888 305100687 /nfs/dbraw/zinc/10/06/87/305100687.db2.gz FSLABLHJDYAMPR-AWEZNQCLSA-N 2 0 337.439 1.913 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nnc2ccccn21 ZINC000433121432 305100816 /nfs/dbraw/zinc/10/08/16/305100816.db2.gz RRIFDBASXZWBMR-ZDUSSCGKSA-N 2 0 330.436 1.110 20 0 EDADRP CCOC(=O)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H](C)CC ZINC000433117108 305100915 /nfs/dbraw/zinc/10/09/15/305100915.db2.gz MOWACHZWZOVBFY-CZUORRHYSA-N 2 0 327.469 1.284 20 0 EDADRP CCc1cccc(NC(=O)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433126635 305101226 /nfs/dbraw/zinc/10/12/26/305101226.db2.gz DFZMZUSZWAEERG-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP COc1ccc(NC(C)=O)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433126583 305101267 /nfs/dbraw/zinc/10/12/67/305101267.db2.gz OWKNCQPPVKRKQV-UHFFFAOYSA-N 2 0 348.447 1.795 20 0 EDADRP CCNC(=O)c1ccc(C)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433147460 305101706 /nfs/dbraw/zinc/10/17/06/305101706.db2.gz OOCRMRPLZYWWSZ-UHFFFAOYSA-N 2 0 346.475 1.887 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccccc1 ZINC000433162406 305102171 /nfs/dbraw/zinc/10/21/71/305102171.db2.gz ZRRZOTSLPMCXPS-AWEZNQCLSA-N 2 0 332.448 1.333 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCO[C@H]2C)CC1 ZINC000433200365 305103034 /nfs/dbraw/zinc/10/30/34/305103034.db2.gz HPJLSUCLYTZJMN-LPHOPBHVSA-N 2 0 333.476 1.458 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C(C)C ZINC000433326814 305105804 /nfs/dbraw/zinc/10/58/04/305105804.db2.gz PLEFJSMIGSYPTD-MRXNPFEDSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433381509 305107070 /nfs/dbraw/zinc/10/70/70/305107070.db2.gz ADZIOZODEKPXCT-HNNXBMFYSA-N 2 0 348.495 1.397 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433386162 305107294 /nfs/dbraw/zinc/10/72/94/305107294.db2.gz GYMLPTUXKYAIND-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[N@@H+]1CCCC[C@H]1C ZINC000433387097 305107466 /nfs/dbraw/zinc/10/74/66/305107466.db2.gz QFUDMZVERMEZNO-RBSFLKMASA-N 2 0 334.468 1.195 20 0 EDADRP CN(c1ccccc1CN1CCO[C@@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000435371955 305139202 /nfs/dbraw/zinc/13/92/02/305139202.db2.gz PFYYBOXVYQKUNL-SFHVURJKSA-N 2 0 332.492 1.377 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435374162 305139243 /nfs/dbraw/zinc/13/92/43/305139243.db2.gz HNXGHPCADQFDLX-GOEBONIOSA-N 2 0 331.460 1.761 20 0 EDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435396342 305139944 /nfs/dbraw/zinc/13/99/44/305139944.db2.gz YFMZTEIQFSWYOA-MRXNPFEDSA-N 2 0 331.460 1.859 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000660700420 453523971 /nfs/dbraw/zinc/52/39/71/453523971.db2.gz OUVGQWTWCONXQH-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP COc1ccc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000436234090 305154720 /nfs/dbraw/zinc/15/47/20/305154720.db2.gz WHUKKDLBFWWUCX-UHFFFAOYSA-N 2 0 342.443 1.671 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000436295033 305155553 /nfs/dbraw/zinc/15/55/53/305155553.db2.gz YCJGIDWLBPLTMQ-UHFFFAOYSA-N 2 0 327.432 1.527 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440989989 305215793 /nfs/dbraw/zinc/21/57/93/305215793.db2.gz UXWDSFBCWKRDBA-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760897 305229758 /nfs/dbraw/zinc/22/97/58/305229758.db2.gz AUKHAPKLFLAJHE-HUUCEWRRSA-N 2 0 344.459 1.811 20 0 EDADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000442976147 305232456 /nfs/dbraw/zinc/23/24/56/305232456.db2.gz LKMMSUZVYAZTMW-SFHVURJKSA-N 2 0 348.535 1.539 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000445090474 305256138 /nfs/dbraw/zinc/25/61/38/305256138.db2.gz JMJFOGAJLMENMJ-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](O)[C@H]1C[C@@H](C)CC[NH+]1C[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1[C@H](C)O ZINC000447264434 305276568 /nfs/dbraw/zinc/27/65/68/305276568.db2.gz BIMIWKHFCSYFPA-AVBQZKFLSA-N 2 0 342.524 1.310 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449084537 305306095 /nfs/dbraw/zinc/30/60/95/305306095.db2.gz HUERNQBIXPTYTK-JUVOFCAFSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000449350769 305312374 /nfs/dbraw/zinc/31/23/74/305312374.db2.gz NHPGKBKUFOZDCV-RHSMWYFYSA-N 2 0 344.459 1.306 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)ccc21 ZINC000449729513 305318201 /nfs/dbraw/zinc/31/82/01/305318201.db2.gz NAPIREGDDHOOLZ-FUHWJXTLSA-N 2 0 326.444 1.814 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCCC1 ZINC000452376075 305394957 /nfs/dbraw/zinc/39/49/57/305394957.db2.gz YQMNDLZTBVKTOO-MRXNPFEDSA-N 2 0 325.497 1.462 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC[N@@H+]1CCOC ZINC000377779847 447351761 /nfs/dbraw/zinc/35/17/61/447351761.db2.gz PVICVLCGPHNHEO-IXDOHACOSA-N 2 0 325.497 1.580 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCOC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000514854740 305707622 /nfs/dbraw/zinc/70/76/22/305707622.db2.gz HZHMCAUITYFHBZ-GJZGRUSLSA-N 2 0 328.453 1.093 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000515073757 305714579 /nfs/dbraw/zinc/71/45/79/305714579.db2.gz SQSHASJJJPGJNR-AWEZNQCLSA-N 2 0 332.448 1.905 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000524937692 305821092 /nfs/dbraw/zinc/82/10/92/305821092.db2.gz UBTAHRBVXXBULO-UHFFFAOYSA-N 2 0 345.491 1.845 20 0 EDADRP O=C(N1CCC([NH2+]CC2CC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449128922 447363359 /nfs/dbraw/zinc/36/33/59/447363359.db2.gz SZKXZKFCSJCSIJ-FQEVSTJZSA-N 2 0 327.472 1.908 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000529334801 305910012 /nfs/dbraw/zinc/91/00/12/305910012.db2.gz WWXCMYSKOKNYKR-HOTGVXAUSA-N 2 0 338.496 1.400 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529340386 305910212 /nfs/dbraw/zinc/91/02/12/305910212.db2.gz MTLWTQYGTRTAQU-SJORKVTESA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNc2cnccn2)CC1 ZINC000449188817 447366852 /nfs/dbraw/zinc/36/68/52/447366852.db2.gz LKLOPXVFZGFLJQ-KRWDZBQOSA-N 2 0 339.487 2.574 20 0 EDADRP COc1ccc(C[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000534064772 306003330 /nfs/dbraw/zinc/00/33/30/306003330.db2.gz CLJUMBFOZMJYSC-MRXNPFEDSA-N 2 0 335.492 1.826 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCCC(F)(F)F ZINC000537576183 306027543 /nfs/dbraw/zinc/02/75/43/306027543.db2.gz QWDHZLVNOXUASB-UHFFFAOYSA-N 2 0 333.420 1.084 20 0 EDADRP CCc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)nn1 ZINC000546094423 306090533 /nfs/dbraw/zinc/09/05/33/306090533.db2.gz NPRWQIJZUMMTDN-UHFFFAOYSA-N 2 0 335.496 1.693 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000548063666 306118960 /nfs/dbraw/zinc/11/89/60/306118960.db2.gz HXSAJBYYBQBFFP-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000551104103 306155800 /nfs/dbraw/zinc/15/58/00/306155800.db2.gz BCEKFLSMLMKKFA-MSOLQXFVSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]1O ZINC000552155282 306176362 /nfs/dbraw/zinc/17/63/62/306176362.db2.gz OKWBUFOQXRUAQE-BZSNNMDCSA-N 2 0 331.460 1.032 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N[C@H](C)CC[NH+](C)C)CC2)CC1 ZINC000553491077 306185471 /nfs/dbraw/zinc/18/54/71/306185471.db2.gz FXQPWBPZWLLCIT-MRXNPFEDSA-N 2 0 338.540 1.639 20 0 EDADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000556942843 306221600 /nfs/dbraw/zinc/22/16/00/306221600.db2.gz HNIMTDAFEVPRBN-WMZOPIPTSA-N 2 0 331.460 1.566 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1OC ZINC000414969380 447378720 /nfs/dbraw/zinc/37/87/20/447378720.db2.gz GMAZWAZNHKBNJP-OAHLLOKOSA-N 2 0 347.381 1.630 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000419733989 447381252 /nfs/dbraw/zinc/38/12/52/447381252.db2.gz URBWQRPYBHQEHB-HUUCEWRRSA-N 2 0 346.475 1.134 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000414984531 447385271 /nfs/dbraw/zinc/38/52/71/447385271.db2.gz MDHAOZKCDCNOPC-OAHLLOKOSA-N 2 0 346.475 1.439 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908470 447387684 /nfs/dbraw/zinc/38/76/84/447387684.db2.gz TWKIFLFGJXRMHN-ZACQAIPSSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+](C2CC2)C1 ZINC000458521329 447399586 /nfs/dbraw/zinc/39/95/86/447399586.db2.gz SSUWCSURXDIARR-WMLDXEAASA-N 2 0 340.537 1.549 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449933713 447413594 /nfs/dbraw/zinc/41/35/94/447413594.db2.gz DOJDNYNZIKYVKA-GOSISDBHSA-N 2 0 337.508 1.747 20 0 EDADRP [NH3+]CCCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419816928 447429648 /nfs/dbraw/zinc/42/96/48/447429648.db2.gz LILIEMPCNQUMHK-UHFFFAOYSA-N 2 0 338.496 1.147 20 0 EDADRP Cc1ccn2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc2c1 ZINC000070871152 441125095 /nfs/dbraw/zinc/12/50/95/441125095.db2.gz HYAXQDILNOVMDG-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000101978724 441164505 /nfs/dbraw/zinc/16/45/05/441164505.db2.gz OWOUJLSTGONMGB-QGZVFWFLSA-N 2 0 342.528 1.763 20 0 EDADRP Cc1cc(F)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102346 441190463 /nfs/dbraw/zinc/19/04/63/441190463.db2.gz ODDAVOLZTGWBBQ-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP Cc1ncc(C[NH2+]CCCN2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000081292521 441248892 /nfs/dbraw/zinc/24/88/92/441248892.db2.gz FKJNPCWGJFIKEZ-UHFFFAOYSA-N 2 0 327.476 1.908 20 0 EDADRP C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072714935 441254751 /nfs/dbraw/zinc/25/47/51/441254751.db2.gz AKNAUFMMOWRVAF-SJORKVTESA-N 2 0 347.503 1.858 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H](C)[N@H+]1CCO ZINC000458652943 447440193 /nfs/dbraw/zinc/44/01/93/447440193.db2.gz KBNUNWVSTTZDHR-IYBDPMFKSA-N 2 0 340.512 1.205 20 0 EDADRP COCCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000107317625 441409674 /nfs/dbraw/zinc/40/96/74/441409674.db2.gz AHAGQCPUTDXQDN-UHFFFAOYSA-N 2 0 335.492 1.829 20 0 EDADRP O=C(C[NH+]1CCC(n2ccnc2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000109796887 441508243 /nfs/dbraw/zinc/50/82/43/441508243.db2.gz ZDBQCVVZTANULM-UHFFFAOYSA-N 2 0 331.464 1.263 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000113404447 441606913 /nfs/dbraw/zinc/60/69/13/441606913.db2.gz CQKZMYWPMUOMNO-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090038777 441616601 /nfs/dbraw/zinc/61/66/01/441616601.db2.gz BMHRRDAVVDMGPL-MDZRGWNJSA-N 3 0 346.519 1.796 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000076321142 441629284 /nfs/dbraw/zinc/62/92/84/441629284.db2.gz HWHIUEPHAXZYIW-INIZCTEOSA-N 2 0 337.468 1.176 20 0 EDADRP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)o1 ZINC000114506627 441665498 /nfs/dbraw/zinc/66/54/98/441665498.db2.gz MFAPMETWRGSFJV-SJLPKXTDSA-N 2 0 335.492 1.883 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000067685763 441667173 /nfs/dbraw/zinc/66/71/73/441667173.db2.gz QBMKNGFHRNUTDJ-DLBZAZTESA-N 2 0 340.512 1.373 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCn2ccnc2)CC1 ZINC000159035266 441782065 /nfs/dbraw/zinc/78/20/65/441782065.db2.gz ZXXQYLVUYNKBHO-HNNXBMFYSA-N 2 0 342.447 1.803 20 0 EDADRP CC(=O)Nc1ccccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615839 441814107 /nfs/dbraw/zinc/81/41/07/441814107.db2.gz MURWLEQZBSSPFU-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP NC(=O)NC(=O)OCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000093204696 441865026 /nfs/dbraw/zinc/86/50/26/441865026.db2.gz MQZPZNZNWDRKLC-UHFFFAOYSA-N 2 0 340.468 1.769 20 0 EDADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953568 441869074 /nfs/dbraw/zinc/86/90/74/441869074.db2.gz YZRDDVDSQHDZJY-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000415441018 447442422 /nfs/dbraw/zinc/44/24/22/447442422.db2.gz SJXVRMRKLMEBAT-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH+](C)CC1 ZINC000043491177 441842042 /nfs/dbraw/zinc/84/20/42/441842042.db2.gz XXOPMCXAZMSJAJ-UHFFFAOYSA-N 2 0 345.491 1.963 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000078987222 442003741 /nfs/dbraw/zinc/00/37/41/442003741.db2.gz QLGWTHTVHNVGNO-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CN(C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000151151484 442015215 /nfs/dbraw/zinc/01/52/15/442015215.db2.gz VGGYIDWZCRQBDD-RBUKOAKNSA-N 2 0 344.503 1.528 20 0 EDADRP CN(C(=O)[C@H](c1ccccc1)N1CCN(C)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000151151317 442015317 /nfs/dbraw/zinc/01/53/17/442015317.db2.gz VGGYIDWZCRQBDD-MOPGFXCFSA-N 2 0 344.503 1.528 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@@H](C)O1 ZINC000079093371 442018344 /nfs/dbraw/zinc/01/83/44/442018344.db2.gz PMOJYYORIOCTTA-QBPKDAKJSA-N 2 0 338.496 1.412 20 0 EDADRP CC[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000125620360 442036688 /nfs/dbraw/zinc/03/66/88/442036688.db2.gz QAYZMCKUZYZXMM-QGZVFWFLSA-N 2 0 345.487 1.867 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458670218 447446123 /nfs/dbraw/zinc/44/61/23/447446123.db2.gz XDALCIFPBQIFTE-SJORKVTESA-N 2 0 340.512 1.397 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(C)s1 ZINC000151686925 442106718 /nfs/dbraw/zinc/10/67/18/442106718.db2.gz XEZWTNJLPFJXKI-CQSZACIVSA-N 2 0 338.473 1.997 20 0 EDADRP C[NH+]1CCC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000097105717 442169174 /nfs/dbraw/zinc/16/91/74/442169174.db2.gz SFURCBPXGRAZPO-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000163501192 442170456 /nfs/dbraw/zinc/17/04/56/442170456.db2.gz OORDVPCZBVVAPU-QGZVFWFLSA-N 2 0 335.448 1.184 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000121150459 442183563 /nfs/dbraw/zinc/18/35/63/442183563.db2.gz XVNUVTQAJURNJW-NPMXOYFQSA-N 2 0 338.517 1.949 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000152418587 442210824 /nfs/dbraw/zinc/21/08/24/442210824.db2.gz FSJUMWSKWADZFK-UHFFFAOYSA-N 2 0 342.528 1.593 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000166675890 442217866 /nfs/dbraw/zinc/21/78/66/442217866.db2.gz IOGQFISGKXKMSB-ZWKOTPCHSA-N 2 0 331.460 1.402 20 0 EDADRP CCN(CC1CCN(c2ccccn2)CC1)C(=O)C[NH2+]CCOC ZINC000169248630 442225803 /nfs/dbraw/zinc/22/58/03/442225803.db2.gz YLOWDMBIAOEAAM-UHFFFAOYSA-N 2 0 334.464 1.383 20 0 EDADRP C[N@H+](CCN1CC[NH+](CC2(O)CCOCC2)CC1)Cc1ccccc1 ZINC000153024600 442257176 /nfs/dbraw/zinc/25/71/76/442257176.db2.gz OGQYFSGGEKEGEV-UHFFFAOYSA-N 2 0 347.503 1.278 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000154996958 442370129 /nfs/dbraw/zinc/37/01/29/442370129.db2.gz VLXXHUTUTVUGSG-CVEARBPZSA-N 2 0 346.475 1.930 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000177725574 442376713 /nfs/dbraw/zinc/37/67/13/442376713.db2.gz CRBBXRGPJHGBCR-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000154902996 442363736 /nfs/dbraw/zinc/36/37/36/442363736.db2.gz LCWIIHVXECXWTA-OAHLLOKOSA-N 2 0 334.464 1.626 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)C1 ZINC000172127342 442411415 /nfs/dbraw/zinc/41/14/15/442411415.db2.gz PUXHSMJNQWNUMG-IAGOWNOFSA-N 2 0 340.512 1.326 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000172124955 442411475 /nfs/dbraw/zinc/41/14/75/442411475.db2.gz XOWQZUIZCVLYDT-UHFFFAOYSA-N 2 0 344.503 1.995 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000178831031 442497520 /nfs/dbraw/zinc/49/75/20/442497520.db2.gz AHZMBUHZHNTBBZ-GOSISDBHSA-N 2 0 330.476 1.016 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000178876173 442510852 /nfs/dbraw/zinc/51/08/52/442510852.db2.gz APRUEEUSYGJLEO-LJQANCHMSA-N 2 0 344.503 1.765 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134944145 442538968 /nfs/dbraw/zinc/53/89/68/442538968.db2.gz PIWCMDNPSFUTNW-VQIMIIECSA-N 2 0 348.535 1.536 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178891255 442516623 /nfs/dbraw/zinc/51/66/23/442516623.db2.gz GJJSEPCCDOUFAF-INIZCTEOSA-N 2 0 346.475 1.251 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000186543329 442557569 /nfs/dbraw/zinc/55/75/69/442557569.db2.gz IBXXLPWSWIOIBZ-DLBZAZTESA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000191857672 442526160 /nfs/dbraw/zinc/52/61/60/442526160.db2.gz AURNJQBQRTYREP-HZPDHXFCSA-N 2 0 325.497 1.628 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480137 442587609 /nfs/dbraw/zinc/58/76/09/442587609.db2.gz FYZZUMUEIYMVKS-IRXDYDNUSA-N 2 0 341.496 1.007 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000186707815 442597470 /nfs/dbraw/zinc/59/74/70/442597470.db2.gz KUQVOYHBXXOPPX-QAPCUYQASA-N 2 0 325.497 1.900 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)c2ccncc2)C1 ZINC000180220168 442560474 /nfs/dbraw/zinc/56/04/74/442560474.db2.gz ITCPCBLLADEQBP-RDJZCZTQSA-N 2 0 334.464 1.205 20 0 EDADRP COC(=O)C1CCC([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000192440513 442646724 /nfs/dbraw/zinc/64/67/24/442646724.db2.gz IKJSNUPZOHZPEN-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@@H](C)C2)CC1 ZINC000187952299 442699996 /nfs/dbraw/zinc/69/99/96/442699996.db2.gz AFDLGNPFZCWHDP-QAPCUYQASA-N 2 0 325.497 1.458 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000187202880 442660169 /nfs/dbraw/zinc/66/01/69/442660169.db2.gz ZUCISTGNXMMNAM-HNNXBMFYSA-N 2 0 328.501 1.110 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000180848784 442664817 /nfs/dbraw/zinc/66/48/17/442664817.db2.gz YEOKUAVMHRCNSY-MQBCKMQZSA-N 2 0 329.485 1.725 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188060462 442706487 /nfs/dbraw/zinc/70/64/87/442706487.db2.gz CRSHUTKGZXMXEC-GOSISDBHSA-N 2 0 331.460 1.523 20 0 EDADRP CN(CC[N@H+](C)Cc1cc2ccccc2[nH]c1=O)C1CC[NH+](C)CC1 ZINC000180962650 442672227 /nfs/dbraw/zinc/67/22/27/442672227.db2.gz VLVONHVXQOXWOZ-UHFFFAOYSA-N 2 0 342.487 1.986 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188142696 442715908 /nfs/dbraw/zinc/71/59/08/442715908.db2.gz JMIQKVXZRFYRAV-GASCZTMLSA-N 2 0 334.464 1.369 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188258359 442730555 /nfs/dbraw/zinc/73/05/55/442730555.db2.gz OQBYVOLFUHQJKS-ZWKOTPCHSA-N 2 0 331.460 1.345 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188448906 442751123 /nfs/dbraw/zinc/75/11/23/442751123.db2.gz NEGIFYPJFCHJNH-HUUCEWRRSA-N 2 0 328.501 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/nfs/dbraw/zinc/85/43/36/442854336.db2.gz LGTQYIPQHMNILP-SFHVURJKSA-N 2 0 336.480 1.068 20 0 EDADRP COC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000249179095 442959232 /nfs/dbraw/zinc/95/92/32/442959232.db2.gz GYTUJLMUQAWLSF-SOLBZPMBSA-N 2 0 328.497 1.907 20 0 EDADRP CC[C@]1(CO)CCC[NH+]1CCOCC[N@H+]1CCC[C@]1(CC)CO ZINC000251626665 443015134 /nfs/dbraw/zinc/01/51/34/443015134.db2.gz GRYXEUUSCAGHSP-QZTJIDSGSA-N 2 0 328.497 1.477 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000266107185 443019539 /nfs/dbraw/zinc/01/95/39/443019539.db2.gz FCRJJZGOUHJBBQ-LJQANCHMSA-N 2 0 344.503 1.751 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236681870 443144467 /nfs/dbraw/zinc/14/44/67/443144467.db2.gz CBCHVALVDKCGSX-RBUKOAKNSA-N 2 0 346.519 1.855 20 0 EDADRP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268815044 443116197 /nfs/dbraw/zinc/11/61/97/443116197.db2.gz PKBVYXRBCUDGER-RDJZCZTQSA-N 2 0 339.505 1.426 20 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ZINC000350113906 319042054 /nfs/dbraw/zinc/04/20/54/319042054.db2.gz IWVTXRWILUEJQB-ZDUSSCGKSA-N 2 0 328.420 1.303 20 0 EDADRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269246663 443249603 /nfs/dbraw/zinc/24/96/03/443249603.db2.gz VDYCRDWOMLRQER-SFHVURJKSA-N 2 0 343.475 1.259 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000382738350 319124835 /nfs/dbraw/zinc/12/48/35/319124835.db2.gz KSQRXPRUJKQIEV-FXAWDEMLSA-N 2 0 345.487 1.736 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)ccc1C[NH+](C)C ZINC000411379017 319181537 /nfs/dbraw/zinc/18/15/37/319181537.db2.gz HTHYHIVSOBOPBZ-UHFFFAOYSA-N 2 0 346.475 1.596 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000413077726 319262930 /nfs/dbraw/zinc/26/29/30/319262930.db2.gz BRLSTOQKKILLJA-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCF)(N2CCOCC2)CC1 ZINC000414202699 319318963 /nfs/dbraw/zinc/31/89/63/319318963.db2.gz UNFVLMSBUBMISW-IAGOWNOFSA-N 2 0 327.488 1.901 20 0 EDADRP COCC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414204986 319319591 /nfs/dbraw/zinc/31/95/91/319319591.db2.gz WYHFCPQZEJSKCI-MSOLQXFVSA-N 2 0 339.524 1.578 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415197662 319349618 /nfs/dbraw/zinc/34/96/18/319349618.db2.gz SUYGETAMBGMOQE-QGZVFWFLSA-N 2 0 342.443 1.361 20 0 EDADRP CN(CC[NH3+])C(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415859154 319379181 /nfs/dbraw/zinc/37/91/81/319379181.db2.gz LDTAPXFPJPYTIE-UHFFFAOYSA-N 2 0 346.475 1.807 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000415990901 319387905 /nfs/dbraw/zinc/38/79/05/319387905.db2.gz DTTATNDXVNFTPQ-CYBMUJFWSA-N 2 0 336.402 1.926 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000269306660 443275907 /nfs/dbraw/zinc/27/59/07/443275907.db2.gz UGAQMEXAQCYALG-IBGZPJMESA-N 2 0 346.475 1.775 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H](C[NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000269278699 443264215 /nfs/dbraw/zinc/26/42/15/443264215.db2.gz ZAKYSNZKXLKMGV-IBGZPJMESA-N 2 0 337.467 1.944 20 0 EDADRP CNC(=O)c1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000264504517 443310484 /nfs/dbraw/zinc/31/04/84/443310484.db2.gz OKWRBNXEOJXYEA-HNNXBMFYSA-N 2 0 333.476 1.571 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416838096 319465851 /nfs/dbraw/zinc/46/58/51/319465851.db2.gz ITRNHUBUAKMCLE-DLBZAZTESA-N 2 0 334.464 1.439 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCCN2CC[NH2+]CC2)CCCCCC1 ZINC000416853281 319467230 /nfs/dbraw/zinc/46/72/30/319467230.db2.gz VCIPRYXMWKESFZ-UHFFFAOYSA-N 2 0 339.528 1.236 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)ccn1 ZINC000417953502 319497845 /nfs/dbraw/zinc/49/78/45/319497845.db2.gz PQIQQXVTFPCVNQ-HNNXBMFYSA-N 2 0 349.479 1.211 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418795115 319513149 /nfs/dbraw/zinc/51/31/49/319513149.db2.gz RWQWEEYHHUHPNR-HOTGVXAUSA-N 3 0 327.517 1.029 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000419011667 319541928 /nfs/dbraw/zinc/54/19/28/319541928.db2.gz SRCMDVOZLWJQCZ-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278980366 443480881 /nfs/dbraw/zinc/48/08/81/443480881.db2.gz JXLMPYRWKBNVPD-WMLDXEAASA-N 2 0 327.432 1.519 20 0 EDADRP C[N@H+](CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccc(F)cc1 ZINC000278995173 443484479 /nfs/dbraw/zinc/48/44/79/443484479.db2.gz LNGGMAVTPVNZJR-AWEZNQCLSA-N 2 0 345.422 1.488 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(CO)c2ccccc2)CC[NH2+]CC1 ZINC000423104953 319751086 /nfs/dbraw/zinc/75/10/86/319751086.db2.gz HSYDKHGOQYXIJF-APWZRJJASA-N 2 0 348.487 1.848 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000423308029 319763070 /nfs/dbraw/zinc/76/30/70/319763070.db2.gz XBDQVKWOJJLVCT-HZPDHXFCSA-N 2 0 333.476 1.678 20 0 EDADRP O=C(CC[C@@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267554619 443495863 /nfs/dbraw/zinc/49/58/63/443495863.db2.gz DYOWQUQFNSRGGC-QGZVFWFLSA-N 2 0 346.475 1.527 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000273148535 443551135 /nfs/dbraw/zinc/55/11/35/443551135.db2.gz YKNQOERHRRMDAT-SFHVURJKSA-N 2 0 347.503 1.854 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000274563418 443608670 /nfs/dbraw/zinc/60/86/70/443608670.db2.gz AACBASGKFQHLSI-JFRXWTBNSA-N 2 0 345.487 1.780 20 0 EDADRP Cn1c2ccc(F)cc2nc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433154030 319972694 /nfs/dbraw/zinc/97/26/94/319972694.db2.gz YIVMADVZIKUKGA-UHFFFAOYSA-N 2 0 333.411 1.854 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000439359105 320046836 /nfs/dbraw/zinc/04/68/36/320046836.db2.gz NYMRWXGKYJVUBG-OAHLLOKOSA-N 2 0 346.475 1.282 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000276225701 443671072 /nfs/dbraw/zinc/67/10/72/443671072.db2.gz DSMKXRKDVJUOBX-ROUUACIJSA-N 2 0 345.491 1.639 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000457749079 320334835 /nfs/dbraw/zinc/33/48/35/320334835.db2.gz UQXCKZOTENVGSB-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1(C)C ZINC000457774835 320335770 /nfs/dbraw/zinc/33/57/70/320335770.db2.gz JBPYPFDJXCYOPB-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000458712264 320339120 /nfs/dbraw/zinc/33/91/20/320339120.db2.gz GMISCSMFKOHDAP-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375838 320358053 /nfs/dbraw/zinc/35/80/53/320358053.db2.gz RHRUNDWHCGAOSX-AVEIZBFRSA-N 2 0 334.508 1.985 20 0 EDADRP COC[C@](C)(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000532359228 320673957 /nfs/dbraw/zinc/67/39/57/320673957.db2.gz GUUIDQQIGQBTGL-LJQANCHMSA-N 2 0 335.492 1.704 20 0 EDADRP O=C(CC[N@H+]1CCC[C@H](CO)CC1)N1CCN(c2ccccn2)CC1 ZINC000292980166 443894457 /nfs/dbraw/zinc/89/44/57/443894457.db2.gz BGOAIPRWJNANQX-KRWDZBQOSA-N 2 0 346.475 1.215 20 0 EDADRP COC1(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CCOCC1 ZINC000277064393 443899011 /nfs/dbraw/zinc/89/90/11/443899011.db2.gz RSVBGIBGWHHIPD-UHFFFAOYSA-N 2 0 347.503 1.719 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285152727 443875064 /nfs/dbraw/zinc/87/50/64/443875064.db2.gz SOHHPHXJGWEDHB-UHFFFAOYSA-N 2 0 348.491 1.033 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000538194613 320741766 /nfs/dbraw/zinc/74/17/66/320741766.db2.gz MFSKNIMWXSEVSH-HNNXBMFYSA-N 2 0 343.479 1.415 20 0 EDADRP CCN(C)[C@H](C(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C)c1ccccc1 ZINC000285330164 443943922 /nfs/dbraw/zinc/94/39/22/443943922.db2.gz VHPSSEYIRXRTON-BZSNNMDCSA-N 2 0 333.476 1.857 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCCN3CCCC3=O)CC2)CC1 ZINC000542595000 320782898 /nfs/dbraw/zinc/78/28/98/320782898.db2.gz TZFRPVRAIBZGMA-UHFFFAOYSA-N 2 0 336.524 1.348 20 0 EDADRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc2c1OCCO2 ZINC000281516394 443933274 /nfs/dbraw/zinc/93/32/74/443933274.db2.gz AJZUVJLAPOUKNU-UHFFFAOYSA-N 2 0 349.475 1.582 20 0 EDADRP CS(=O)(=O)NCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285424183 443979232 /nfs/dbraw/zinc/97/92/32/443979232.db2.gz DVCUYAXSGKYZQQ-QGZVFWFLSA-N 2 0 337.489 1.134 20 0 EDADRP Cn1c(Cl)cnc1CNCc1cccnc1N1CC[NH+](C)CC1 ZINC000281754872 443997634 /nfs/dbraw/zinc/99/76/34/443997634.db2.gz RFWIANOMFMIAEI-UHFFFAOYSA-N 2 0 334.855 1.510 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293602997 444068157 /nfs/dbraw/zinc/06/81/57/444068157.db2.gz LGHMSPDGXKRGNQ-UHFFFAOYSA-N 2 0 332.448 1.135 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccncc1 ZINC000299559812 444080018 /nfs/dbraw/zinc/08/00/18/444080018.db2.gz MWXBVPGNECUJKY-UHFFFAOYSA-N 2 0 340.431 1.810 20 0 EDADRP COCCc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000293590784 444063245 /nfs/dbraw/zinc/06/32/45/444063245.db2.gz OJFOUMICLABAFI-QUCCMNQESA-N 2 0 348.487 1.643 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCc1cn2ccccc2n1 ZINC000561128786 321034090 /nfs/dbraw/zinc/03/40/90/321034090.db2.gz ONFRKGYNTNGCTA-HFZWIWRYSA-N 2 0 327.432 1.692 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000562819887 321079164 /nfs/dbraw/zinc/07/91/64/321079164.db2.gz ZQGNVZYOKUZPKJ-YQYZPQCESA-N 2 0 348.466 1.898 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000563212871 321100616 /nfs/dbraw/zinc/10/06/16/321100616.db2.gz DGOKEELKTBWJKV-SFHVURJKSA-N 3 0 345.491 1.242 20 0 EDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000564352355 321127769 /nfs/dbraw/zinc/12/77/69/321127769.db2.gz RGUAUTTZXTWPOA-LBPRGKRZSA-N 2 0 333.436 1.449 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C1CCCC1 ZINC000564440636 321131568 /nfs/dbraw/zinc/13/15/68/321131568.db2.gz STEHSQWPGKODAY-QGZVFWFLSA-N 2 0 333.480 1.754 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000564466106 321133821 /nfs/dbraw/zinc/13/38/21/321133821.db2.gz JKMPZOIYJMXIKF-HNNXBMFYSA-N 2 0 331.460 1.924 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC[NH2+]C2CC2)[C@H](c2ccccc2)C1 ZINC000565435129 321186503 /nfs/dbraw/zinc/18/65/03/321186503.db2.gz YKUCWPGJLZWTRW-IBGZPJMESA-N 2 0 344.503 1.624 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000566007207 321210133 /nfs/dbraw/zinc/21/01/33/321210133.db2.gz MAHLRLVGOOZZJF-HOTGVXAUSA-N 2 0 348.495 1.415 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567476957 321243348 /nfs/dbraw/zinc/24/33/48/321243348.db2.gz SAWVJMYOKCARJB-IAGOWNOFSA-N 2 0 346.475 1.378 20 0 EDADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000569482803 321327610 /nfs/dbraw/zinc/32/76/10/321327610.db2.gz WAUMYQVHGCKOPD-INIZCTEOSA-N 2 0 330.432 1.089 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289364946 444118975 /nfs/dbraw/zinc/11/89/75/444118975.db2.gz HSRVPCZLLMLYJF-SFHVURJKSA-N 2 0 348.535 1.849 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000285787581 444107952 /nfs/dbraw/zinc/10/79/52/444107952.db2.gz OGNSQHYWPWTXBV-RDJZCZTQSA-N 2 0 347.459 1.724 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(C)(C)CO2 ZINC000572023665 321411776 /nfs/dbraw/zinc/41/17/76/321411776.db2.gz PRAWXKVTTBONFM-UHFFFAOYSA-N 2 0 333.476 1.922 20 0 EDADRP CN(CCC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)CC[NH+](C)C ZINC000289473241 444153385 /nfs/dbraw/zinc/15/33/85/444153385.db2.gz RDLVVIBNGWJWLN-UHFFFAOYSA-N 2 0 346.475 1.098 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000574200652 321475542 /nfs/dbraw/zinc/47/55/42/321475542.db2.gz XFKIHHNJOMEDAK-DOTOQJQBSA-N 2 0 333.480 1.612 20 0 EDADRP COc1ccc([C@H](C)CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000575916898 321534095 /nfs/dbraw/zinc/53/40/95/321534095.db2.gz BAOJLEITIYZBHU-SJLPKXTDSA-N 2 0 335.492 1.387 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778894 444202198 /nfs/dbraw/zinc/20/21/98/444202198.db2.gz IYHTVTSEMPHCQZ-DLBZAZTESA-N 2 0 347.459 1.247 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(c3cc[nH+]cc3C(N)=O)CC2)C[C@@H](C)O1 ZINC000302130906 444205231 /nfs/dbraw/zinc/20/52/31/444205231.db2.gz BFGIWSNFOXYJBK-HUUCEWRRSA-N 2 0 346.475 1.896 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CNC[C@](C)(O)C[NH+](C)C)CC1 ZINC000305205429 444264819 /nfs/dbraw/zinc/26/48/19/444264819.db2.gz CLDDPBJUDGNYKN-IBGZPJMESA-N 2 0 334.508 1.231 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000297076234 444272168 /nfs/dbraw/zinc/27/21/68/444272168.db2.gz VRDMCWWSKQOFJB-IBGZPJMESA-N 2 0 345.487 1.614 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000303319558 444236248 /nfs/dbraw/zinc/23/62/48/444236248.db2.gz USRWMJFKGHQYAH-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304292076 444245597 /nfs/dbraw/zinc/24/55/97/444245597.db2.gz CXZUGTXOOPYXRS-OKZBNKHCSA-N 2 0 326.481 1.351 20 0 EDADRP C[C@H]1CN(C(=O)Nc2ccn3ccnc3c2)C[C@H]1N1CCOCC1 ZINC000290638526 444304501 /nfs/dbraw/zinc/30/45/01/444304501.db2.gz JJAUZORHPYPTEL-DZGCQCFKSA-N 2 0 329.404 1.519 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccccc1 ZINC000315322305 444304883 /nfs/dbraw/zinc/30/48/83/444304883.db2.gz UONSVGJXHKNUOJ-UHFFFAOYSA-N 2 0 325.478 1.333 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000305755914 444278465 /nfs/dbraw/zinc/27/84/65/444278465.db2.gz BINXAGLLSNSYGB-VQIMIIECSA-N 2 0 345.487 1.601 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290589741 444298553 /nfs/dbraw/zinc/29/85/53/444298553.db2.gz OJPAQPSNOXRSHF-RBUKOAKNSA-N 2 0 327.472 1.967 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000337675611 444345651 /nfs/dbraw/zinc/34/56/51/444345651.db2.gz ZZVVSAWDFNYZBC-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297877100 444346140 /nfs/dbraw/zinc/34/61/40/444346140.db2.gz QDMIDKLMTILLRP-UHFFFAOYSA-N 2 0 347.463 1.834 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[NH+](C)[C@H]1CCSC1 ZINC000339979687 444347545 /nfs/dbraw/zinc/34/75/45/444347545.db2.gz BNSXZTXKNSOYTC-FZKCQIBNSA-N 2 0 327.538 1.906 20 0 EDADRP CC1CC[NH+](CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000325816716 444369538 /nfs/dbraw/zinc/36/95/38/444369538.db2.gz MFCSWSBIWFTPAJ-JTDSTZFVSA-N 2 0 337.508 1.757 20 0 EDADRP CC[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000337812830 444419734 /nfs/dbraw/zinc/41/97/34/444419734.db2.gz MJPHEMOISLMTMY-MOPGFXCFSA-N 2 0 345.487 1.693 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)[C@H](C)C1 ZINC000338009833 444485788 /nfs/dbraw/zinc/48/57/88/444485788.db2.gz WUPAVLKIINYBRW-XDNAFOTISA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NC1CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000580052744 322002004 /nfs/dbraw/zinc/00/20/04/322002004.db2.gz JKAPDGXWTKYMBM-UHFFFAOYSA-N 2 0 330.476 1.745 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000580311592 322035514 /nfs/dbraw/zinc/03/55/14/322035514.db2.gz PGINDWLGOLZTTR-MJBXVCDLSA-N 2 0 343.518 1.489 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132426 322140221 /nfs/dbraw/zinc/14/02/21/322140221.db2.gz IOFWCICKXQTDCQ-AZUAARDMSA-N 2 0 344.503 1.481 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247062 322154040 /nfs/dbraw/zinc/15/40/40/322154040.db2.gz OFAVPPFDLZBGBH-HZPDHXFCSA-N 2 0 340.439 1.656 20 0 EDADRP [NH3+]Cc1cc(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)co1 ZINC000581309510 322162221 /nfs/dbraw/zinc/16/22/21/322162221.db2.gz YHPFQPWSTSPJBD-UHFFFAOYSA-N 2 0 335.448 1.703 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000581418709 322174876 /nfs/dbraw/zinc/17/48/76/322174876.db2.gz PUPODXMZIJCBJF-HUUCEWRRSA-N 2 0 340.855 1.230 20 0 EDADRP Cc1nc2cc(NC(=O)C(=O)N(C)C[C@@H]3CCC[N@@H+]3C)ccc2n1C ZINC000581660699 322204643 /nfs/dbraw/zinc/20/46/43/322204643.db2.gz WBIBJNOEHOJUPF-AWEZNQCLSA-N 2 0 343.431 1.373 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCC[C@@H]1Cn1ccnc1 ZINC000581777561 322219416 /nfs/dbraw/zinc/21/94/16/322219416.db2.gz VGKKYCLKEXFPBJ-QSFKDOLUSA-N 2 0 331.464 1.963 20 0 EDADRP CN1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@H](C[NH3+])C1 ZINC000581873825 322226546 /nfs/dbraw/zinc/22/65/46/322226546.db2.gz KJAVZWCNPAIRSE-ZNMIVQPWSA-N 2 0 326.485 1.112 20 0 EDADRP CCN1CCc2nc(NC(=O)C3C[C@@H]4C[NH2+]C[C@H](C3)C4=O)sc2C1 ZINC000343765194 444574705 /nfs/dbraw/zinc/57/47/05/444574705.db2.gz BMDDRCVHIXBAKM-YOGCLGLASA-N 2 0 348.472 1.274 20 0 EDADRP O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000332884883 444586036 /nfs/dbraw/zinc/58/60/36/444586036.db2.gz FZEPPWMFKFJFEB-GJZGRUSLSA-N 2 0 331.464 1.927 20 0 EDADRP c1ncc(N2CC[N@@H+]3CCC[C@@H]3C2)nc1N1CC[NH+]2CCC[C@@H]2C1 ZINC000342246441 444586824 /nfs/dbraw/zinc/58/68/24/444586824.db2.gz RLEKQCGQJZQPBY-HZPDHXFCSA-N 2 0 328.464 1.045 20 0 EDADRP C[C@@H]1C[N@H+](CCCO[C@@H]2CCCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000338283711 444611202 /nfs/dbraw/zinc/61/12/02/444611202.db2.gz SVWNEBITDHQSEM-GUDVDZBRSA-N 2 0 339.524 1.878 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000341000320 444623925 /nfs/dbraw/zinc/62/39/25/444623925.db2.gz YWMYUDCXOAAEAZ-MOPGFXCFSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000333309351 444656496 /nfs/dbraw/zinc/65/64/96/444656496.db2.gz RKMKRBZJDHEZHD-ARFHVFGLSA-N 2 0 343.537 1.843 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341112832 444679607 /nfs/dbraw/zinc/67/96/07/444679607.db2.gz CANVZADKIOZKLD-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000333931052 444721638 /nfs/dbraw/zinc/72/16/38/444721638.db2.gz ZQPDFWDONJDXPD-XMTFNYHQSA-N 2 0 328.460 1.640 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](CC)C2CC2)C[C@H]1CC ZINC000342657238 444800042 /nfs/dbraw/zinc/80/00/42/444800042.db2.gz SCXDPELNJBSPRG-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000342662206 444802540 /nfs/dbraw/zinc/80/25/40/444802540.db2.gz OUEBSBFPBHNFKW-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)C[C@H]1CCN(c2cncc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000338690447 444809761 /nfs/dbraw/zinc/80/97/61/444809761.db2.gz XBEZXMZIPSBPSC-HZPDHXFCSA-N 2 0 332.496 1.252 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000336875208 444820199 /nfs/dbraw/zinc/82/01/99/444820199.db2.gz CDFKMJWAXXXUIF-IRXDYDNUSA-N 3 0 326.529 1.626 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000342702635 444824076 /nfs/dbraw/zinc/82/40/76/444824076.db2.gz ZGSMFIUFLPLDED-UHFFFAOYSA-N 2 0 341.496 1.498 20 0 EDADRP Cc1nc(N2C[C@@H](C)[NH+](C)[C@H](C)C2)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000338791406 444853635 /nfs/dbraw/zinc/85/36/35/444853635.db2.gz FHPVTZUJKVSKRA-TUVASFSCSA-N 2 0 347.511 1.238 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000342764642 444854850 /nfs/dbraw/zinc/85/48/50/444854850.db2.gz JDOZWTYQXWDFQX-KBMXLJTQSA-N 2 0 333.432 1.219 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000342766024 444855563 /nfs/dbraw/zinc/85/55/63/444855563.db2.gz RQVHZVKNVHZJOD-XIRDDKMYSA-N 2 0 347.459 1.436 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)C1=O ZINC000337041373 444913390 /nfs/dbraw/zinc/91/33/90/444913390.db2.gz BKWREOXUQCRVMB-HOTGVXAUSA-N 2 0 344.459 1.381 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000337064889 444925499 /nfs/dbraw/zinc/92/54/99/444925499.db2.gz ZKDJOVSFUPETGM-ZACQAIPSSA-N 2 0 338.496 1.223 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000343035287 445020312 /nfs/dbraw/zinc/02/03/12/445020312.db2.gz SZLIPIIRENMDFX-UHFFFAOYSA-N 2 0 340.512 1.169 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342981761 444987795 /nfs/dbraw/zinc/98/77/95/444987795.db2.gz ZTWKMEUNAFPYGL-GASCZTMLSA-N 2 0 334.464 1.511 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000344488459 445005169 /nfs/dbraw/zinc/00/51/69/445005169.db2.gz XAAAAEBLICHFJM-JKSUJKDBSA-N 2 0 328.501 1.109 20 0 EDADRP CCOc1c(C[NH2+]CC2(O)CC[NH+](C)CC2)c(C)nn1CC(C)C ZINC000344550859 445052839 /nfs/dbraw/zinc/05/28/39/445052839.db2.gz LJJSBXZOVKQJJY-UHFFFAOYSA-N 2 0 338.496 1.793 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000330654938 445081686 /nfs/dbraw/zinc/08/16/86/445081686.db2.gz NPDDSBZCXXMZOH-WFASDCNBSA-N 2 0 345.896 1.548 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1[NH+](C)C ZINC000344720244 445136412 /nfs/dbraw/zinc/13/64/12/445136412.db2.gz GKUNBTABDCIDNZ-ARFHVFGLSA-N 2 0 343.537 1.284 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc4c(c3)OCO4)C[C@@H]21 ZINC000342097569 445170514 /nfs/dbraw/zinc/17/05/14/445170514.db2.gz IEANGODVFDVPLW-VHDGCEQUSA-N 2 0 331.416 1.803 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000339825279 445171827 /nfs/dbraw/zinc/17/18/27/445171827.db2.gz ZLOOQTBALJFMGM-HOTGVXAUSA-N 2 0 328.501 1.373 20 0 EDADRP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346491115 445216612 /nfs/dbraw/zinc/21/66/12/445216612.db2.gz OXAZEQKXBYJOBL-SZMVWBNQSA-N 2 0 337.508 1.674 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+](C)C2CCCC2)[NH+](C)C1 ZINC000347083825 445231431 /nfs/dbraw/zinc/23/14/31/445231431.db2.gz CYDMKPPZKYHFIA-HZPDHXFCSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H](NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000351753136 445308254 /nfs/dbraw/zinc/30/82/54/445308254.db2.gz DJORTLLCRHCIAF-KKUMJFAQSA-N 2 0 340.512 1.068 20 0 EDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119535 445277649 /nfs/dbraw/zinc/27/76/49/445277649.db2.gz MSZQHYXMTBTJJI-IKGGRYGDSA-N 2 0 335.471 1.805 20 0 EDADRP COc1cc(NC(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849123 445341744 /nfs/dbraw/zinc/34/17/44/445341744.db2.gz FOTVQHBBEFLYLL-NWDGAFQWSA-N 2 0 337.420 1.320 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000351864521 445347259 /nfs/dbraw/zinc/34/72/59/445347259.db2.gz YKJKFVQWEYWLNH-RDJZCZTQSA-N 3 0 346.475 1.126 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354712311 445347837 /nfs/dbraw/zinc/34/78/37/445347837.db2.gz PTRXUVJENBWFSB-KRWDZBQOSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000357097968 445427059 /nfs/dbraw/zinc/42/70/59/445427059.db2.gz JALJPWAAYPTWCA-DOTOQJQBSA-N 2 0 332.448 1.277 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357043442 445391927 /nfs/dbraw/zinc/39/19/27/445391927.db2.gz GCQBBPANRAEISC-QGZVFWFLSA-N 2 0 345.487 1.975 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)[C@@H]2C)C1 ZINC000355781475 445478219 /nfs/dbraw/zinc/47/82/19/445478219.db2.gz CTQMTBHUBLAKQN-ZJPYXAASSA-N 2 0 339.524 1.826 20 0 EDADRP CC[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000357170471 445464955 /nfs/dbraw/zinc/46/49/55/445464955.db2.gz FKDDZHPHYZTLQY-ZWKOTPCHSA-N 2 0 331.460 1.318 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)C[C@H](C)O1 ZINC000357171667 445465770 /nfs/dbraw/zinc/46/57/70/445465770.db2.gz HBCHCMCVYKVQPV-ZMMAXQRCSA-N 2 0 337.508 1.772 20 0 EDADRP O=C1CNCCN1[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671112 445491391 /nfs/dbraw/zinc/49/13/91/445491391.db2.gz KREOPDCCEYMIQD-OAHLLOKOSA-N 2 0 331.391 1.968 20 0 EDADRP COCCOc1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000349302479 445559778 /nfs/dbraw/zinc/55/97/78/445559778.db2.gz WZSPAZJTYHHZBH-UHFFFAOYSA-N 2 0 335.492 1.781 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000353096211 445575438 /nfs/dbraw/zinc/57/54/38/445575438.db2.gz ILTBLWAKVQCMNH-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000360038360 445539528 /nfs/dbraw/zinc/53/95/28/445539528.db2.gz NGIWOPXZBKGMPM-JKSUJKDBSA-N 2 0 348.491 1.848 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000362910140 445606372 /nfs/dbraw/zinc/60/63/72/445606372.db2.gz AZOPNGGXISWXTB-YOEHRIQHSA-N 2 0 345.491 1.748 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353451948 445607610 /nfs/dbraw/zinc/60/76/10/445607610.db2.gz QBEUTYIVGDXSJZ-PKOBYXMFSA-N 2 0 331.460 1.475 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000356088793 445613019 /nfs/dbraw/zinc/61/30/19/445613019.db2.gz JSABABSQEUPUAQ-DOTOQJQBSA-N 2 0 340.512 1.658 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000353470318 445615525 /nfs/dbraw/zinc/61/55/25/445615525.db2.gz QPQJNQOZWCRPJY-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000358466602 445621764 /nfs/dbraw/zinc/62/17/64/445621764.db2.gz YCAQAZXEUHAWAX-IAGOWNOFSA-N 2 0 341.544 1.286 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356142276 445644473 /nfs/dbraw/zinc/64/44/73/445644473.db2.gz SQPSAMJVJKFZCP-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1(C(=O)OC)CCC1 ZINC000353553115 445653509 /nfs/dbraw/zinc/65/35/09/445653509.db2.gz QCEFLUXCAGRUKH-CABCVRRESA-N 2 0 339.480 1.285 20 0 EDADRP CC[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1(C(=O)OC)CCC1 ZINC000353553116 445653531 /nfs/dbraw/zinc/65/35/31/445653531.db2.gz QCEFLUXCAGRUKH-GJZGRUSLSA-N 2 0 339.480 1.285 20 0 EDADRP CSC1(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC[NH+](C)CC1 ZINC000353554294 445653995 /nfs/dbraw/zinc/65/39/95/445653995.db2.gz JHKORHCSGBIZNJ-KBPBESRZSA-N 2 0 334.551 1.759 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000349732333 445658391 /nfs/dbraw/zinc/65/83/91/445658391.db2.gz GDVJIPOJZIYJIL-KRWDZBQOSA-N 2 0 341.544 1.386 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000356187926 445667665 /nfs/dbraw/zinc/66/76/65/445667665.db2.gz TXSVIVFBLIWOJB-INIZCTEOSA-N 2 0 328.501 1.328 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000358658437 445697901 /nfs/dbraw/zinc/69/79/01/445697901.db2.gz DZIAEKHVNSJGNZ-NVXWUHKLSA-N 2 0 328.501 1.109 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363180932 445710280 /nfs/dbraw/zinc/71/02/80/445710280.db2.gz OHSJZZWSGOROME-KSZLIROESA-N 2 0 334.508 1.988 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000356277939 445713714 /nfs/dbraw/zinc/71/37/14/445713714.db2.gz JCKBVTCURQOPPX-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCC(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000356296677 445723205 /nfs/dbraw/zinc/72/32/05/445723205.db2.gz QDSVESFRVVHOBJ-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353727021 445727276 /nfs/dbraw/zinc/72/72/76/445727276.db2.gz WNIBBRWJPQDENP-UHFFFAOYSA-N 2 0 336.480 1.193 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358723029 445743123 /nfs/dbraw/zinc/74/31/23/445743123.db2.gz OXXVUZFVVCKMQG-KXBFYZLASA-N 2 0 348.491 1.482 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000350024460 445751475 /nfs/dbraw/zinc/75/14/75/445751475.db2.gz AKQGXZICVHUYLB-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP O=C([C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361502113 445791157 /nfs/dbraw/zinc/79/11/57/445791157.db2.gz VNDCNUSEXXFPAW-ROUUACIJSA-N 2 0 349.519 1.822 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000358831133 445798302 /nfs/dbraw/zinc/79/83/02/445798302.db2.gz PSBWPUONKSTFKZ-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)CCOCC[NH2+]Cc1c(C)nc2sc(C)nn12 ZINC000350357722 445816236 /nfs/dbraw/zinc/81/62/36/445816236.db2.gz PLPNEZVPGINJHN-UHFFFAOYSA-N 2 0 325.482 1.856 20 0 EDADRP O=C(CN1C[C@H]2CCC[C@H]21)Nc1ccc(CN2CCOCC2)cc1 ZINC000350724122 445888411 /nfs/dbraw/zinc/88/84/11/445888411.db2.gz HKKYSZQHTDSFQO-SJLPKXTDSA-N 2 0 329.444 1.942 20 0 EDADRP O=C(CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)NC1CCCC1 ZINC000363662118 445866498 /nfs/dbraw/zinc/86/64/98/445866498.db2.gz UUYGYUALGIPPBY-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000361775469 445933663 /nfs/dbraw/zinc/93/36/63/445933663.db2.gz WGEGCYVUPQNVFA-ULQDDVLXSA-N 2 0 339.528 1.137 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369108835 445934406 /nfs/dbraw/zinc/93/44/06/445934406.db2.gz MABDPFSUTSIUCD-QZTJIDSGSA-N 2 0 339.524 1.946 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNc3cc[nH+]cc3C(N)=O)cc2)CC1 ZINC000582139681 325784733 /nfs/dbraw/zinc/78/47/33/325784733.db2.gz WOEBWGVUOWXPQS-UHFFFAOYSA-N 2 0 340.427 1.688 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000356624942 445894597 /nfs/dbraw/zinc/89/45/97/445894597.db2.gz UOSHMUHLKNPVJT-SFHVURJKSA-N 2 0 336.524 1.491 20 0 EDADRP CN1CCN(c2ncc(CN3CC[C@@]4(C3)CCC[N@H+](C)C4)cn2)CC1 ZINC000354176059 445971432 /nfs/dbraw/zinc/97/14/32/445971432.db2.gz IMLWWEGCVZXKSJ-IBGZPJMESA-N 2 0 344.507 1.146 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000354198838 445992318 /nfs/dbraw/zinc/99/23/18/445992318.db2.gz MEWXQRVWKFHCLJ-QGZVFWFLSA-N 2 0 332.492 1.998 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)[C@@H]2C1 ZINC000373120523 446042796 /nfs/dbraw/zinc/04/27/96/446042796.db2.gz GGHCVWBJVBQFOA-IAGOWNOFSA-N 2 0 335.492 1.574 20 0 EDADRP CCCCOC[C@@H](O)C[N@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000365126441 446043027 /nfs/dbraw/zinc/04/30/27/446043027.db2.gz REUPJFXLWHBFMK-SFHVURJKSA-N 2 0 328.497 1.739 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000359223917 446053856 /nfs/dbraw/zinc/05/38/56/446053856.db2.gz KSLFKUBHLPVGDB-MRXNPFEDSA-N 2 0 346.475 1.663 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N(C)CCC[NH3+])[NH+]1CCCC1 ZINC000583613941 326104689 /nfs/dbraw/zinc/10/46/89/326104689.db2.gz FHDNVPMVNZAFEJ-MRXNPFEDSA-N 2 0 334.464 1.822 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000369660145 446141687 /nfs/dbraw/zinc/14/16/87/446141687.db2.gz GJPSGMRQGLSYMJ-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NCC[NH+]2CCC[C@@H](C)C2)CC1 ZINC000369660402 446141804 /nfs/dbraw/zinc/14/18/04/446141804.db2.gz IOVROSOOKREIHV-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@H]1CN([C@@H](CNc2ccnc(N(C)C)n2)c2cccs2)CCO1 ZINC000354353976 446137081 /nfs/dbraw/zinc/13/70/81/446137081.db2.gz OANBYRAQGURCRO-KBPBESRZSA-N 2 0 347.488 2.478 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000356894382 446101704 /nfs/dbraw/zinc/10/17/04/446101704.db2.gz LBBONSUXGBSFTQ-IAGOWNOFSA-N 2 0 327.513 1.802 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000366244143 446102958 /nfs/dbraw/zinc/10/29/58/446102958.db2.gz GGGJUMWFWBMOQJ-SFHVURJKSA-N 2 0 328.460 1.504 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1C ZINC000354331184 446118151 /nfs/dbraw/zinc/11/81/51/446118151.db2.gz QIQFMLUIVIOKHU-JONQDZQNSA-N 2 0 339.480 1.141 20 0 EDADRP C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000373247163 446119402 /nfs/dbraw/zinc/11/94/02/446119402.db2.gz YLEPSSPWCBVFQR-TWMKSMIVSA-N 2 0 337.508 1.959 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC(C)(C)C[NH+](C)C)cc1 ZINC000351564640 446162314 /nfs/dbraw/zinc/16/23/14/446162314.db2.gz TUPRJCKGEYYHID-UHFFFAOYSA-N 2 0 327.494 1.614 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)C[C@@H](C)O1 ZINC000356963482 446162504 /nfs/dbraw/zinc/16/25/04/446162504.db2.gz WPZVTSKOFWRXSD-BRSBDYLESA-N 2 0 348.491 1.286 20 0 EDADRP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407870 446184388 /nfs/dbraw/zinc/18/43/88/446184388.db2.gz KTTGFVAYQFNHCT-ZWKOTPCHSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381099 446186342 /nfs/dbraw/zinc/18/63/42/446186342.db2.gz BKKZFGJJSNXAKW-HUUCEWRRSA-N 2 0 336.480 1.118 20 0 EDADRP Cc1cccc(CCNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000366309849 446143958 /nfs/dbraw/zinc/14/39/58/446143958.db2.gz JLGJLDYCQHFFTR-QGZVFWFLSA-N 2 0 345.491 1.400 20 0 EDADRP C[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000354455151 446216061 /nfs/dbraw/zinc/21/60/61/446216061.db2.gz CHPYKWAHHJFSAT-GDBMZVCRSA-N 2 0 325.497 1.628 20 0 EDADRP CCN(C(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1)C1CCCCC1 ZINC000365570335 446257997 /nfs/dbraw/zinc/25/79/97/446257997.db2.gz OHCCZGCUDIIDKG-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000365660158 446291383 /nfs/dbraw/zinc/29/13/83/446291383.db2.gz FHHIKBSRKSRJJK-CRAIPNDOSA-N 2 0 343.487 1.816 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(CCOCC(F)(F)C(F)F)CC2)C1 ZINC000373746372 446321781 /nfs/dbraw/zinc/32/17/81/446321781.db2.gz NZMKZIDKCAJGSB-ZDUSSCGKSA-N 2 0 341.393 1.615 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417340037 446347726 /nfs/dbraw/zinc/34/77/26/446347726.db2.gz LUHLUVGAHFSJBM-HNNXBMFYSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)[C@H]1C ZINC000417371098 446351101 /nfs/dbraw/zinc/35/11/01/446351101.db2.gz UZDDLELTOGNAOC-GJZGRUSLSA-N 2 0 334.464 1.519 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)CC1 ZINC000365817955 446355256 /nfs/dbraw/zinc/35/52/56/446355256.db2.gz PTLWCVNJCOZPLI-QGZVFWFLSA-N 2 0 338.540 1.734 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417501907 446355926 /nfs/dbraw/zinc/35/59/26/446355926.db2.gz ARSBTIBOPNCLCB-KRWDZBQOSA-N 2 0 348.491 1.563 20 0 EDADRP COCC1(CNC(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000417500581 446355947 /nfs/dbraw/zinc/35/59/47/446355947.db2.gz ARSXDIASIOEPSC-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417578870 446365289 /nfs/dbraw/zinc/36/52/89/446365289.db2.gz AYYQNHSFAFJGOK-HNNXBMFYSA-N 2 0 340.512 1.837 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[N@H+](C)Cc1ccccc1 ZINC000417592786 446366183 /nfs/dbraw/zinc/36/61/83/446366183.db2.gz UHMZXUQYJWVUJB-OCCSQVGLSA-N 2 0 328.407 1.789 20 0 EDADRP C[C@@H](CC(=O)N(C)C)[NH2+]CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370662840 446378318 /nfs/dbraw/zinc/37/83/18/446378318.db2.gz OYCVGSWUJRTEHP-INIZCTEOSA-N 2 0 338.540 1.639 20 0 EDADRP CCC[NH2+]CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417909236 446383721 /nfs/dbraw/zinc/38/37/21/446383721.db2.gz JWBHFZMIAPOQAX-HOTGVXAUSA-N 2 0 326.485 1.053 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417952274 446398559 /nfs/dbraw/zinc/39/85/59/446398559.db2.gz OFGLSJNCTFZKFV-HNNXBMFYSA-N 2 0 337.468 1.195 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000418136777 446441116 /nfs/dbraw/zinc/44/11/16/446441116.db2.gz ILDGCLKTCQSKMB-QZTJIDSGSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000418128269 446441963 /nfs/dbraw/zinc/44/19/63/446441963.db2.gz APNDTBFBRFHTOR-YJBOKZPZSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000418169170 446443749 /nfs/dbraw/zinc/44/37/49/446443749.db2.gz MTRIBYUVLMPQFZ-SFHVURJKSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417980775 446406783 /nfs/dbraw/zinc/40/67/83/446406783.db2.gz JETXYLXUBVPLKL-MRXNPFEDSA-N 2 0 348.491 1.611 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417985467 446407611 /nfs/dbraw/zinc/40/76/11/446407611.db2.gz NDQXTMCKPXZMOO-INIZCTEOSA-N 2 0 348.491 1.692 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417999118 446410949 /nfs/dbraw/zinc/41/09/49/446410949.db2.gz UNAQVLGWIJPDPI-KRWDZBQOSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418009367 446414819 /nfs/dbraw/zinc/41/48/19/446414819.db2.gz PALCVMKLJVKLBW-BMGDILEWSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@@H+]1C ZINC000418013555 446416444 /nfs/dbraw/zinc/41/64/44/446416444.db2.gz ZJTSIEISXTVQTI-LBZRDPAVSA-N 2 0 334.508 1.922 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418047302 446423827 /nfs/dbraw/zinc/42/38/27/446423827.db2.gz QJFHQTKVUKXFKY-MRXNPFEDSA-N 2 0 340.512 1.790 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423220078 446456300 /nfs/dbraw/zinc/45/63/00/446456300.db2.gz XWQIDBVZOUXDNE-NEPJUHHUSA-N 2 0 328.254 1.589 20 0 EDADRP O=C(COc1ccc(F)cc1)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420297748 446459271 /nfs/dbraw/zinc/45/92/71/446459271.db2.gz DKFBDJWPURUSAL-MRXNPFEDSA-N 2 0 349.450 1.738 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000432509856 446476486 /nfs/dbraw/zinc/47/64/86/446476486.db2.gz OQFWSBCQUASVHZ-CRAIPNDOSA-N 2 0 330.476 1.556 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423323524 446487980 /nfs/dbraw/zinc/48/79/80/446487980.db2.gz HZWRGDAIBPDERL-OAHLLOKOSA-N 2 0 336.484 1.401 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423334003 446493392 /nfs/dbraw/zinc/49/33/92/446493392.db2.gz QFTMLARFYMTEKO-GJZGRUSLSA-N 2 0 333.480 1.491 20 0 EDADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420331613 446501161 /nfs/dbraw/zinc/50/11/61/446501161.db2.gz RAULGZJDUAUDLC-RBUKOAKNSA-N 2 0 345.487 1.771 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NCCOc1ccc(F)cc1 ZINC000420336195 446506679 /nfs/dbraw/zinc/50/66/79/446506679.db2.gz LQNFGZRPAGPBNE-GOSISDBHSA-N 2 0 349.450 1.785 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337931 446507803 /nfs/dbraw/zinc/50/78/03/446507803.db2.gz KJFPJXMIVVBDSJ-DLBZAZTESA-N 2 0 331.460 1.503 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418366339 446516278 /nfs/dbraw/zinc/51/62/78/446516278.db2.gz POIGWFFDQJTKHL-RYQLBKOJSA-N 2 0 348.491 1.024 20 0 EDADRP CN(C(=O)NCCC[NH3+])[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418349616 446508968 /nfs/dbraw/zinc/50/89/68/446508968.db2.gz KRXOZSNEHOMIBE-DLBZAZTESA-N 2 0 339.528 1.314 20 0 EDADRP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420344855 446516361 /nfs/dbraw/zinc/51/63/61/446516361.db2.gz UVUNNZHXCGROKJ-DOTOQJQBSA-N 2 0 331.460 1.633 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343114 446515853 /nfs/dbraw/zinc/51/58/53/446515853.db2.gz RCLIZTFWIANHPN-LISAXSMJSA-N 2 0 343.471 1.946 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000423356204 446498069 /nfs/dbraw/zinc/49/80/69/446498069.db2.gz JNUUCOFJYIHUSH-HOTGVXAUSA-N 2 0 347.507 1.737 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000423358460 446498398 /nfs/dbraw/zinc/49/83/98/446498398.db2.gz UFPLYHJYCKWVDE-MSOLQXFVSA-N 2 0 345.491 1.898 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000423361209 446500091 /nfs/dbraw/zinc/50/00/91/446500091.db2.gz RGPXSDANRJVMAW-ICSRJNTNSA-N 2 0 345.487 1.293 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350398 446558925 /nfs/dbraw/zinc/55/89/25/446558925.db2.gz FCIUNHYCKHKHJN-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CCCO)c2ccccc2)CC1 ZINC000411472417 446559071 /nfs/dbraw/zinc/55/90/71/446559071.db2.gz MWBNDSVNQLEFOQ-GOSISDBHSA-N 2 0 333.476 1.690 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000423518408 446560143 /nfs/dbraw/zinc/56/01/43/446560143.db2.gz OOHWRGPOPSEDFB-XLIONFOSSA-N 2 0 330.520 1.575 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418487433 446562143 /nfs/dbraw/zinc/56/21/43/446562143.db2.gz ILFDECURVDRWAC-QSFKDOLUSA-N 2 0 338.496 1.038 20 0 EDADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423536716 446565165 /nfs/dbraw/zinc/56/51/65/446565165.db2.gz IGPRVQAVZVZFAZ-MRVWCRGKSA-N 2 0 329.366 1.760 20 0 EDADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1 ZINC000423396912 446516694 /nfs/dbraw/zinc/51/66/94/446516694.db2.gz BTZQKEWAMRPGBY-YSVLISHTSA-N 2 0 334.464 1.791 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2sccc2C1 ZINC000420346154 446519117 /nfs/dbraw/zinc/51/91/17/446519117.db2.gz XNVYKLDJXSUWRS-HUUCEWRRSA-N 2 0 333.501 1.954 20 0 EDADRP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346205 446519160 /nfs/dbraw/zinc/51/91/60/446519160.db2.gz XPXHBKHFSKRFTJ-RTBURBONSA-N 2 0 329.488 1.975 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375704 446520001 /nfs/dbraw/zinc/52/00/01/446520001.db2.gz HULLSRPOJDNNRF-SJORKVTESA-N 2 0 340.512 1.286 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423406961 446521166 /nfs/dbraw/zinc/52/11/66/446521166.db2.gz LFZSWCHYUCVQDB-CQSZACIVSA-N 2 0 336.484 1.257 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418391572 446525820 /nfs/dbraw/zinc/52/58/20/446525820.db2.gz CCCBFGJTRKUPRU-CRAIPNDOSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418392331 446526297 /nfs/dbraw/zinc/52/62/97/446526297.db2.gz PYIMQRBQWLPHER-FUHWJXTLSA-N 2 0 347.507 1.933 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000418393045 446526364 /nfs/dbraw/zinc/52/63/64/446526364.db2.gz QPZGBKGJWQLJOS-MRXNPFEDSA-N 2 0 348.491 1.768 20 0 EDADRP CC[C@@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000423432514 446534645 /nfs/dbraw/zinc/53/46/45/446534645.db2.gz ONCDKYCFCCCPAW-QZTJIDSGSA-N 2 0 345.487 1.911 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000418429812 446539999 /nfs/dbraw/zinc/53/99/99/446539999.db2.gz OFMJYUUXAPGPGC-GOEBONIOSA-N 2 0 334.464 1.173 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000418430880 446540430 /nfs/dbraw/zinc/54/04/30/446540430.db2.gz PLWIQIMBMXWJIB-OIISXLGYSA-N 2 0 334.464 1.173 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000375052089 446546647 /nfs/dbraw/zinc/54/66/47/446546647.db2.gz BLDMNCYQDCNAFM-JCGIZDLHSA-N 2 0 331.460 1.647 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCOc3ccc(F)cc3)C2)nn1 ZINC000420369787 446548620 /nfs/dbraw/zinc/54/86/20/446548620.db2.gz CDAFQEITLYFTQJ-INIZCTEOSA-N 2 0 333.411 1.982 20 0 EDADRP COCCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CCOCC1 ZINC000453254490 446552801 /nfs/dbraw/zinc/55/28/01/446552801.db2.gz AFLCBUDJLAIKIQ-BRWVUGGUSA-N 2 0 326.481 1.661 20 0 EDADRP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000411461087 446553336 /nfs/dbraw/zinc/55/33/36/446553336.db2.gz VWXQVTXVAUROAA-GOSISDBHSA-N 2 0 333.476 1.953 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000418506026 446569618 /nfs/dbraw/zinc/56/96/18/446569618.db2.gz HDMKPRADMUQSMH-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524297 446581409 /nfs/dbraw/zinc/58/14/09/446581409.db2.gz MZOIARKPISKXDZ-ROUUACIJSA-N 2 0 345.491 1.687 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418553885 446591783 /nfs/dbraw/zinc/59/17/83/446591783.db2.gz ICBTZMDZDNTWHA-CRAIPNDOSA-N 2 0 348.491 1.909 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418556874 446593887 /nfs/dbraw/zinc/59/38/87/446593887.db2.gz OGIMFLCUIAVVFH-DHXZDTOLSA-N 2 0 346.475 1.567 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000418561289 446594757 /nfs/dbraw/zinc/59/47/57/446594757.db2.gz YSHKZZBBEAJINL-INIZCTEOSA-N 2 0 328.460 1.917 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)CC[NH3+])CC1 ZINC000418563243 446595627 /nfs/dbraw/zinc/59/56/27/446595627.db2.gz SBXBGVQYOGEPEW-OAHLLOKOSA-N 2 0 328.501 1.504 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000418595984 446608007 /nfs/dbraw/zinc/60/80/07/446608007.db2.gz XVUYZXIJPVXZHU-BRWVUGGUSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418755527 446676091 /nfs/dbraw/zinc/67/60/91/446676091.db2.gz BYCDTVJPEFHVAP-SFHVURJKSA-N 2 0 348.491 1.181 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])C(C)C ZINC000423700389 446647481 /nfs/dbraw/zinc/64/74/81/446647481.db2.gz UBEHJTDZEPROOW-HOTGVXAUSA-N 2 0 340.512 1.292 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@]1(F)CC[NH2+]C1 ZINC000376693042 446656339 /nfs/dbraw/zinc/65/63/39/446656339.db2.gz DSUFBOPPIZSCIZ-KRWDZBQOSA-N 2 0 335.379 1.236 20 0 EDADRP COCC[C@]1(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423720715 446659532 /nfs/dbraw/zinc/65/95/32/446659532.db2.gz AVEWTIQEFZWMIB-MJQMVNBJSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000423638090 446620815 /nfs/dbraw/zinc/62/08/15/446620815.db2.gz DIDVPQUSFHXEMF-RTBURBONSA-N 2 0 344.503 1.403 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000423745244 446675307 /nfs/dbraw/zinc/67/53/07/446675307.db2.gz PGRBNDNZGXJTQT-TVFCKZIOSA-N 2 0 334.508 1.146 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(CCCS(N)(=O)=O)CC1 ZINC000371097667 446626593 /nfs/dbraw/zinc/62/65/93/446626593.db2.gz CNMINGUFAASESW-KRWDZBQOSA-N 2 0 339.505 1.652 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)N2CCNC2=O)CC1 ZINC000371102501 446629515 /nfs/dbraw/zinc/62/95/15/446629515.db2.gz ZWAIETPLSMMFIS-KRWDZBQOSA-N 2 0 344.459 1.525 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000418650074 446633126 /nfs/dbraw/zinc/63/31/26/446633126.db2.gz JXLTWOIOLPOLQH-GOSISDBHSA-N 2 0 330.476 1.986 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000423762840 446691542 /nfs/dbraw/zinc/69/15/42/446691542.db2.gz VBFJZXATBPZGNP-KRWDZBQOSA-N 2 0 347.459 1.386 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418780778 446698755 /nfs/dbraw/zinc/69/87/55/446698755.db2.gz CGEMTRRQRQTLMY-SJORKVTESA-N 2 0 339.528 1.173 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)c1 ZINC000418780781 446698826 /nfs/dbraw/zinc/69/88/26/446698826.db2.gz CGFVWOZECRSSQJ-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776433 446712160 /nfs/dbraw/zinc/71/21/60/446712160.db2.gz HWPMMDQQVMFTLU-NFFSZXGFSA-N 2 0 336.480 1.116 20 0 EDADRP CCOC(=O)CCCC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371261262 446721964 /nfs/dbraw/zinc/72/19/64/446721964.db2.gz WJMRUAXTZGBVCN-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418822640 446729060 /nfs/dbraw/zinc/72/90/60/446729060.db2.gz AXPGVCQHQCGTIP-GFCCVEGCSA-N 2 0 340.493 1.101 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418759205 446679192 /nfs/dbraw/zinc/67/91/92/446679192.db2.gz GDSQNIVDGWROOW-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000418846203 446747980 /nfs/dbraw/zinc/74/79/80/446747980.db2.gz XLDHROUVWUIQOV-KRWDZBQOSA-N 2 0 346.475 1.136 20 0 EDADRP COCC1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000423902308 446753765 /nfs/dbraw/zinc/75/37/65/446753765.db2.gz LQHHTHQDIFYIHF-NVXWUHKLSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C[C@@H]1CC12CCN(C(=O)NCC[N@@H+](C)C1CC1)CC2)C1CC1 ZINC000371311864 446765643 /nfs/dbraw/zinc/76/56/43/446765643.db2.gz ACIGALSVRCBHJP-HNNXBMFYSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H](C[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000412038268 446800275 /nfs/dbraw/zinc/80/02/75/446800275.db2.gz HEYHCSVRIVEMQS-OWLVHUDESA-N 2 0 336.520 1.808 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000371349815 446797959 /nfs/dbraw/zinc/79/79/59/446797959.db2.gz MSURBKJMNDYLOI-MRXNPFEDSA-N 2 0 345.553 1.158 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)c1ccccc1 ZINC000412051090 446814785 /nfs/dbraw/zinc/81/47/85/446814785.db2.gz VOYZNKAHEMEDRS-ZSYWTGECSA-N 2 0 345.487 1.498 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418988042 446850171 /nfs/dbraw/zinc/85/01/71/446850171.db2.gz RCYJBJBSDIDEFI-HNNXBMFYSA-N 2 0 338.496 1.002 20 0 EDADRP Cc1ocnc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016996 446824697 /nfs/dbraw/zinc/82/46/97/446824697.db2.gz FEPZXEFSEZQVQW-UHFFFAOYSA-N 2 0 328.416 1.706 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000424019573 446827527 /nfs/dbraw/zinc/82/75/27/446827527.db2.gz KIJJREYNWYCQJJ-MSOLQXFVSA-N 2 0 331.460 1.475 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419000882 446857909 /nfs/dbraw/zinc/85/79/09/446857909.db2.gz AACZEJXHOYZLIL-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP CCCCCOCC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371469687 446874776 /nfs/dbraw/zinc/87/47/76/446874776.db2.gz GERIYNRKHSYVLP-INIZCTEOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029291 446875604 /nfs/dbraw/zinc/87/56/04/446875604.db2.gz RLUFQZLSAOMTHE-LSDHHAIUSA-N 2 0 338.496 1.001 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000424462015 446878790 /nfs/dbraw/zinc/87/87/90/446878790.db2.gz LXMIUTKTCYTXGD-RCCFBDPRSA-N 2 0 346.475 1.322 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@@H](C)C1 ZINC000454532728 446903955 /nfs/dbraw/zinc/90/39/55/446903955.db2.gz YYDVUVZVIBBRNG-JYJNAYRXSA-N 2 0 328.501 1.373 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000377080749 446907812 /nfs/dbraw/zinc/90/78/12/446907812.db2.gz VHTYQGFVJORYLW-BZSNNMDCSA-N 2 0 333.476 1.549 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000419084095 446913908 /nfs/dbraw/zinc/91/39/08/446913908.db2.gz XZKWSYKMHSMWLZ-OAGGEKHMSA-N 2 0 338.496 1.095 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCCCC[N@@H+](C)C2CC2)CCSC1 ZINC000454596595 446919464 /nfs/dbraw/zinc/91/94/64/446919464.db2.gz FWMRZICJOXSXBE-MRXNPFEDSA-N 2 0 328.526 1.597 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983379 446957884 /nfs/dbraw/zinc/95/78/84/446957884.db2.gz QXCRWHVFLLMVTR-OAHLLOKOSA-N 2 0 337.430 1.792 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766986 446958944 /nfs/dbraw/zinc/95/89/44/446958944.db2.gz XSXAVEIQARQXOT-HZPDHXFCSA-N 2 0 348.466 1.534 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000419215360 447013796 /nfs/dbraw/zinc/01/37/96/447013796.db2.gz OHOJTLBPUJNFIP-HUUCEWRRSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H](CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199731 446987224 /nfs/dbraw/zinc/98/72/24/446987224.db2.gz VWZMNLXJTDPNSG-RDJZCZTQSA-N 2 0 336.524 1.297 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CCO)CC1)c1ccccc1 ZINC000421019707 446989812 /nfs/dbraw/zinc/98/98/12/446989812.db2.gz QDRBLHXPFBDJJM-HKUYNNGSSA-N 2 0 347.503 1.890 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419175781 446991351 /nfs/dbraw/zinc/99/13/51/446991351.db2.gz YCDLVJQXPADMIS-HOTGVXAUSA-N 2 0 338.496 1.097 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000443060232 447002494 /nfs/dbraw/zinc/00/24/94/447002494.db2.gz OSMKRNIPVUUIAF-CQSZACIVSA-N 2 0 347.488 1.992 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000368704611 447053433 /nfs/dbraw/zinc/05/34/33/447053433.db2.gz SJKIPNXWCUPNIG-GOSISDBHSA-N 2 0 330.476 1.306 20 0 EDADRP C[NH+](C)CCN(C(=O)C(C)(C)CN1CCn2ccnc2C1)C1CC1 ZINC000377307947 447055410 /nfs/dbraw/zinc/05/54/10/447055410.db2.gz VMCJNZZOUFCREM-UHFFFAOYSA-N 2 0 333.480 1.278 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000372263973 447031052 /nfs/dbraw/zinc/03/10/52/447031052.db2.gz DGSKAYPQFCFMGM-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444167201 447085860 /nfs/dbraw/zinc/08/58/60/447085860.db2.gz DKYKNYHXACKULO-BJLQDIEVSA-N 2 0 327.472 1.667 20 0 EDADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000377374714 447097900 /nfs/dbraw/zinc/09/79/00/447097900.db2.gz ZBQXMEAUSJTLCP-CGTJXYLNSA-N 2 0 349.523 1.848 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]C2CCC([NH+](C)C)CC2)CC1 ZINC000421378692 447144291 /nfs/dbraw/zinc/14/42/91/447144291.db2.gz VUSXKCYIPNEURW-UHFFFAOYSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419403720 447153496 /nfs/dbraw/zinc/15/34/96/447153496.db2.gz QLYGAVAONWVCNT-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)C[C@@H]1C ZINC000455656707 447199317 /nfs/dbraw/zinc/19/93/17/447199317.db2.gz KXVAZTAFJIBOCO-GJZGRUSLSA-N 2 0 336.484 1.781 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419428618 447169018 /nfs/dbraw/zinc/16/90/18/447169018.db2.gz ATLVZKVXXGCGPO-LTIDMASMSA-N 2 0 340.512 1.203 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000425653499 447254141 /nfs/dbraw/zinc/25/41/41/447254141.db2.gz OADCIYNEKXNVGM-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](CCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCCCC1 ZINC000419484634 447215236 /nfs/dbraw/zinc/21/52/36/447215236.db2.gz XFRGJCSZRGYVHU-BRWVUGGUSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419501398 447228477 /nfs/dbraw/zinc/22/84/77/447228477.db2.gz BGSOCEPDGBJSQZ-KGLIPLIRSA-N 2 0 334.464 1.169 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000376042030 447230854 /nfs/dbraw/zinc/23/08/54/447230854.db2.gz JNIOBXLVHPKRCY-UYAOXDASSA-N 2 0 345.487 1.865 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560273 447231165 /nfs/dbraw/zinc/23/11/65/447231165.db2.gz JGBVVHFRBRSULJ-IPMKNSEASA-N 2 0 342.487 1.997 20 0 EDADRP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000421826674 447261366 /nfs/dbraw/zinc/26/13/66/447261366.db2.gz UHYHNTFOSNDNSV-HZPDHXFCSA-N 2 0 325.497 1.901 20 0 EDADRP CC[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000426772210 447500064 /nfs/dbraw/zinc/50/00/64/447500064.db2.gz CHGQMANNRPFTJG-DLBZAZTESA-N 2 0 339.524 1.802 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391038720 447510273 /nfs/dbraw/zinc/51/02/73/447510273.db2.gz ZTLGSFUESDTYHW-CABCVRRESA-N 2 0 341.402 1.376 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCc1cn(C)cn1)c1ccco1 ZINC000458770293 447473664 /nfs/dbraw/zinc/47/36/64/447473664.db2.gz NSLYWLULDAMDPZ-ZFWWWQNUSA-N 2 0 333.436 1.984 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427293678 447575827 /nfs/dbraw/zinc/57/58/27/447575827.db2.gz DOVOSLUFFBZRQG-IRXDYDNUSA-N 2 0 330.476 1.313 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000420010863 447544322 /nfs/dbraw/zinc/54/43/22/447544322.db2.gz FXCXHTSADQPGMT-JKSUJKDBSA-N 2 0 340.512 1.201 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000398192908 447556329 /nfs/dbraw/zinc/55/63/29/447556329.db2.gz ZYOPEHHUYDJMGL-HQRMLTQVSA-N 2 0 345.487 1.639 20 0 EDADRP O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000450866655 447601183 /nfs/dbraw/zinc/60/11/83/447601183.db2.gz TYHJMNSPWCITBN-QRQLOZEOSA-N 2 0 347.503 1.667 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457575630 447601650 /nfs/dbraw/zinc/60/16/50/447601650.db2.gz LBSGWUACOIOCGF-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000420140610 447631139 /nfs/dbraw/zinc/63/11/39/447631139.db2.gz XXWZNSGRTIELDH-OAHLLOKOSA-N 2 0 346.475 1.267 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416850273 447695825 /nfs/dbraw/zinc/69/58/25/447695825.db2.gz ZLNLOQNQGOSMCC-ZWKOTPCHSA-N 2 0 348.491 1.829 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(NC(=O)OC)c1 ZINC000496063389 447700044 /nfs/dbraw/zinc/70/00/44/447700044.db2.gz HGQKDDGVZKPPLN-OAHLLOKOSA-N 2 0 333.436 1.963 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C[NH+]1CCCCC1 ZINC000457903869 447667116 /nfs/dbraw/zinc/66/71/16/447667116.db2.gz GAMGHLYOPULICM-DLBZAZTESA-N 2 0 340.512 1.254 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422631491 447679191 /nfs/dbraw/zinc/67/91/91/447679191.db2.gz FPNWOFXJRLTNAZ-GUTXKFCHSA-N 2 0 332.448 1.889 20 0 EDADRP C[C@@H]1C[C@@H](C)N(CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000422642556 447686451 /nfs/dbraw/zinc/68/64/51/447686451.db2.gz ZOWCGYBOIPJNRZ-MGPQQGTHSA-N 2 0 339.430 1.929 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)O1 ZINC000416941205 447716803 /nfs/dbraw/zinc/71/68/03/447716803.db2.gz JRNKDFHGKNXFFU-OVYGPGRDSA-N 2 0 338.496 1.173 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000416940867 447717549 /nfs/dbraw/zinc/71/75/49/447717549.db2.gz JJFZPXUVPGPDJE-OAGGEKHMSA-N 2 0 340.512 1.563 20 0 EDADRP CCNC(=O)C1C[NH+](Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000459606024 447719970 /nfs/dbraw/zinc/71/99/70/447719970.db2.gz NAPJJEMPYGGYNZ-UHFFFAOYSA-N 2 0 330.476 1.396 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000416949655 447721903 /nfs/dbraw/zinc/72/19/03/447721903.db2.gz QOUBHPCWEBTBGS-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+])[NH+]1CCOCC1 ZINC000416952159 447723364 /nfs/dbraw/zinc/72/33/64/447723364.db2.gz JJWMIIJEYMAYDM-IKGGRYGDSA-N 2 0 340.512 1.550 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720331 447728084 /nfs/dbraw/zinc/72/80/84/447728084.db2.gz SIJWZNWUHSLHAK-IAGOWNOFSA-N 3 0 332.496 1.096 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000417173056 447736482 /nfs/dbraw/zinc/73/64/82/447736482.db2.gz KYVIRHPHOJRKIK-ZIAGYGMSSA-N 2 0 344.381 1.725 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000422743111 447736486 /nfs/dbraw/zinc/73/64/86/447736486.db2.gz QYCLFNKXEKLHIA-HNNXBMFYSA-N 3 0 333.524 1.773 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCN3CCOC(C)(C)C3)C2)C1 ZINC000458177897 447737488 /nfs/dbraw/zinc/73/74/88/447737488.db2.gz MYHKETGDMMOXOK-GOSISDBHSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCCNc1ccc(C(F)(F)F)cn1 ZINC000422832894 447763130 /nfs/dbraw/zinc/76/31/30/447763130.db2.gz LOORBZPXBUXXOW-YUTCNCBUSA-N 2 0 346.397 2.244 20 0 EDADRP CN(C[C@@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535930 447811699 /nfs/dbraw/zinc/81/16/99/447811699.db2.gz UEODFDANHAKHJT-MSOLQXFVSA-N 2 0 341.496 1.632 20 0 EDADRP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422879270 447770272 /nfs/dbraw/zinc/77/02/72/447770272.db2.gz MAZHRQMWDCEMQR-PRLABOORSA-N 2 0 325.522 1.851 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000422931754 447774867 /nfs/dbraw/zinc/77/48/67/447774867.db2.gz CSZGVRNCULDPMU-QWHCGFSZSA-N 2 0 345.534 1.866 20 0 EDADRP C[C@H](C(=O)NCC1CCCCC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430540138 447775074 /nfs/dbraw/zinc/77/50/74/447775074.db2.gz GJZLPNVGTXZJCN-OAHLLOKOSA-N 2 0 325.497 1.901 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1)c1ccccc1 ZINC000451908027 447779888 /nfs/dbraw/zinc/77/98/88/447779888.db2.gz ISXVZIBSYQEJDK-UYAOXDASSA-N 2 0 345.487 1.908 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CC[NH2+]CC1 ZINC000422999687 447789312 /nfs/dbraw/zinc/78/93/12/447789312.db2.gz YFZHCGLLZMWPHV-HNNXBMFYSA-N 3 0 325.497 1.770 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000431021516 447790058 /nfs/dbraw/zinc/79/00/58/447790058.db2.gz JXKWORCNCOUXPD-ABHNRTSZSA-N 2 0 337.508 1.724 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCOC[C@@H]2OCC)CC[NH2+]CC1 ZINC000423040047 447796063 /nfs/dbraw/zinc/79/60/63/447796063.db2.gz SHONZIXVYKPKSJ-KKUMJFAQSA-N 2 0 328.453 1.091 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2nccs2)CC1 ZINC000451994457 447797390 /nfs/dbraw/zinc/79/73/90/447797390.db2.gz VSBDVOGWIBONTM-UHFFFAOYSA-N 2 0 325.482 1.087 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000423106254 447806141 /nfs/dbraw/zinc/80/61/41/447806141.db2.gz ZNCSLXTZPNZJAJ-KLAILNCOSA-N 3 0 337.508 1.914 20 0 EDADRP C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000423112498 447807638 /nfs/dbraw/zinc/80/76/38/447807638.db2.gz XJXLFBGAIXHKET-CHWSQXEVSA-N 2 0 345.896 1.596 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](c2nccn2C)C2CC2)CC[NH2+]CC1 ZINC000423113843 447807886 /nfs/dbraw/zinc/80/78/86/447807886.db2.gz ZIERQVOJCRXBMU-ZFWWWQNUSA-N 2 0 334.464 1.782 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479648921 447823912 /nfs/dbraw/zinc/82/39/12/447823912.db2.gz QTWMKBWEBHPWSV-SJORKVTESA-N 2 0 340.512 1.349 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)OCC(C)C ZINC000523094193 447872441 /nfs/dbraw/zinc/87/24/41/447872441.db2.gz UDBFTBAWOBJCQT-DLBZAZTESA-N 2 0 327.513 1.922 20 0 EDADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000496771542 447899017 /nfs/dbraw/zinc/89/90/17/447899017.db2.gz CQRYODUPTAMLSM-AWEZNQCLSA-N 2 0 341.500 1.747 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569823134 447900782 /nfs/dbraw/zinc/90/07/82/447900782.db2.gz GHAICXAEUVLJMY-GOSISDBHSA-N 2 0 345.487 1.472 20 0 EDADRP COc1ccccc1C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000569912026 447913811 /nfs/dbraw/zinc/91/38/11/447913811.db2.gz KYMNBBLMOGHZIP-IAGOWNOFSA-N 2 0 348.491 1.547 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000530727946 447947039 /nfs/dbraw/zinc/94/70/39/447947039.db2.gz YHOSYMBCGYWMSU-INIZCTEOSA-N 2 0 328.460 1.959 20 0 EDADRP Cc1nc(C(F)(F)F)ccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530880592 447976903 /nfs/dbraw/zinc/97/69/03/447976903.db2.gz UISAENMYJXNAJO-UHFFFAOYSA-N 2 0 346.397 1.974 20 0 EDADRP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000576196042 447996170 /nfs/dbraw/zinc/99/61/70/447996170.db2.gz LWAWITWRJXRKKE-OTWHNJEPSA-N 2 0 349.519 1.745 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)C1 ZINC000570399972 448004511 /nfs/dbraw/zinc/00/45/11/448004511.db2.gz VPKDODJFIJTZID-HNNXBMFYSA-N 2 0 344.459 1.451 20 0 EDADRP C[C@@H]1C[C@@H]([N@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216973 447970145 /nfs/dbraw/zinc/97/01/45/447970145.db2.gz YHIHZENSBCKRBR-CABCVRRESA-N 2 0 329.485 1.942 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000570273844 447974760 /nfs/dbraw/zinc/97/47/60/447974760.db2.gz TUIQZARBZNLVQK-HZPDHXFCSA-N 2 0 331.464 1.727 20 0 EDADRP CC[C@@H](C)NC(=O)c1cccc(CNC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000576321657 448026035 /nfs/dbraw/zinc/02/60/35/448026035.db2.gz RRKDOFVAHOYDOR-RDTXWAMCSA-N 2 0 333.476 1.760 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+](C)C1 ZINC000501266234 448093670 /nfs/dbraw/zinc/09/36/70/448093670.db2.gz LMNYFTRBWKNZPD-XIRDDKMYSA-N 2 0 338.496 1.364 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[NH+](C)C1 ZINC000502643433 448103297 /nfs/dbraw/zinc/10/32/97/448103297.db2.gz UGHDUEYHSROQJY-ULQDDVLXSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000571069840 448106114 /nfs/dbraw/zinc/10/61/14/448106114.db2.gz GJEWSNWMOGADLM-AWEZNQCLSA-N 2 0 325.478 1.511 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[N@H+](C)C1CC1 ZINC000531770781 448141301 /nfs/dbraw/zinc/14/13/01/448141301.db2.gz FKPJQILJSMCHED-XYPHTWIQSA-N 2 0 338.496 1.146 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000556724975 448146028 /nfs/dbraw/zinc/14/60/28/448146028.db2.gz YWICRDGWWSROBF-OAHLLOKOSA-N 2 0 336.505 1.842 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000527058441 448149942 /nfs/dbraw/zinc/14/99/42/448149942.db2.gz LOIYFOROAILLAL-FQEVSTJZSA-N 2 0 347.503 1.814 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1[NH3+] ZINC000514722026 448193656 /nfs/dbraw/zinc/19/36/56/448193656.db2.gz MRRXGRLMOALEKA-WKIYYKSKSA-N 2 0 348.413 1.780 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253812 448194622 /nfs/dbraw/zinc/19/46/22/448194622.db2.gz IPZBGPJWRNBTHC-JKSUJKDBSA-N 2 0 325.497 1.555 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000571764851 448202435 /nfs/dbraw/zinc/20/24/35/448202435.db2.gz LZIITSHOIFXPLH-QZTJIDSGSA-N 2 0 327.472 1.938 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cn1 ZINC000577214544 448237931 /nfs/dbraw/zinc/23/79/31/448237931.db2.gz JHJCTPSGZDZOFJ-NRXGSXMXSA-N 2 0 346.475 1.258 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230838 448218757 /nfs/dbraw/zinc/21/87/57/448218757.db2.gz IMTBNLAHINXRDJ-AEFFLSMTSA-N 2 0 332.492 1.338 20 0 EDADRP Cc1cc(C)c(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000571975718 448249205 /nfs/dbraw/zinc/24/92/05/448249205.db2.gz XODKAELWONYCEM-FQEVSTJZSA-N 2 0 339.439 1.952 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(CC[NH3+])CC1 ZINC000515174383 448269953 /nfs/dbraw/zinc/26/99/53/448269953.db2.gz GXBQZPXNCTXEDI-GDBMZVCRSA-N 2 0 347.459 1.392 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577351797 448271395 /nfs/dbraw/zinc/27/13/95/448271395.db2.gz MKVJKAQNDYPBDP-UHFFFAOYSA-N 2 0 332.448 1.119 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000577364313 448276014 /nfs/dbraw/zinc/27/60/14/448276014.db2.gz QSSJUEFHDDNECO-UHFFFAOYSA-N 2 0 342.447 2.513 20 0 EDADRP [NH3+][C@@H](CCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000515402727 448307730 /nfs/dbraw/zinc/30/77/30/448307730.db2.gz SUEROXDSLZGUFN-ACBHZAAOSA-N 2 0 344.503 1.799 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CC2)C(C)C)C1 ZINC000532667392 448292776 /nfs/dbraw/zinc/29/27/76/448292776.db2.gz BOGHINSNAMSJHV-KRWDZBQOSA-N 2 0 325.497 1.580 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000572406545 448371423 /nfs/dbraw/zinc/37/14/23/448371423.db2.gz VCALEMYVPMRZET-SJLPKXTDSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000582744083 448328164 /nfs/dbraw/zinc/32/81/64/448328164.db2.gz OCFRLVYRWKOHJB-IYBDPMFKSA-N 2 0 334.464 1.523 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572261221 448331375 /nfs/dbraw/zinc/33/13/75/448331375.db2.gz JJHZHTAFGLZJEO-SFHVURJKSA-N 2 0 327.432 1.662 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000572406546 448371030 /nfs/dbraw/zinc/37/10/30/448371030.db2.gz VCALEMYVPMRZET-WMZOPIPTSA-N 2 0 331.460 1.174 20 0 EDADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572489384 448393041 /nfs/dbraw/zinc/39/30/41/448393041.db2.gz QUEONMRFQCZMDJ-SFHVURJKSA-N 2 0 349.500 1.332 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000583018101 448403928 /nfs/dbraw/zinc/40/39/28/448403928.db2.gz XRAGUBGBFFRPRK-OAHLLOKOSA-N 2 0 340.512 1.205 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000566179754 448405620 /nfs/dbraw/zinc/40/56/20/448405620.db2.gz XGVQIJHGRLIPDR-SZMVWBNQSA-N 2 0 333.476 1.810 20 0 EDADRP COc1ccccc1C[N@H+](CCN1CC[NH2+]CC1)C[C@@H]1CCCO1 ZINC000566246379 448429409 /nfs/dbraw/zinc/42/94/09/448429409.db2.gz MQHLPUZEALSZDZ-SFHVURJKSA-N 2 0 333.476 1.581 20 0 EDADRP CCN(C)C[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732138 448451321 /nfs/dbraw/zinc/45/13/21/448451321.db2.gz UZIBTWIHQYPELF-IBGZPJMESA-N 2 0 334.508 1.933 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000516645253 448454301 /nfs/dbraw/zinc/45/43/01/448454301.db2.gz QOKYMYQQUWUFBP-PMACEKPBSA-N 2 0 333.520 1.972 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000572769389 448461169 /nfs/dbraw/zinc/46/11/69/448461169.db2.gz YWMNULXSRMPFNE-NUJGCVRESA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000578186777 448479085 /nfs/dbraw/zinc/47/90/85/448479085.db2.gz BJLJBTMOGMACBF-RVKKMQEKSA-N 2 0 325.497 1.063 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCCc2ccc(F)cc2)CC1 ZINC000584346894 448491351 /nfs/dbraw/zinc/49/13/51/448491351.db2.gz LJYWBCKZUVKOIK-LJQANCHMSA-N 2 0 337.483 1.736 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000572957011 448505656 /nfs/dbraw/zinc/50/56/56/448505656.db2.gz WGTKTNDDCBSHRI-LPHOPBHVSA-N 2 0 346.519 1.670 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H](n4ccnc4)C3)sc2n1 ZINC000591867677 448512738 /nfs/dbraw/zinc/51/27/38/448512738.db2.gz QUMAYKVGHQHBND-GFCCVEGCSA-N 2 0 330.417 1.493 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000566618875 448522241 /nfs/dbraw/zinc/52/22/41/448522241.db2.gz MIKCAOGRLVJPRD-INIZCTEOSA-N 2 0 342.447 1.022 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855552 448572779 /nfs/dbraw/zinc/57/27/79/448572779.db2.gz SFLNCHGYAUNFGD-HFTRVMKXSA-N 2 0 335.467 1.969 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C)nn1C ZINC000578433346 448543571 /nfs/dbraw/zinc/54/35/71/448543571.db2.gz YRSHDLXIXHEYHV-MRXNPFEDSA-N 2 0 335.496 1.146 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146965 448544227 /nfs/dbraw/zinc/54/42/27/448544227.db2.gz RDJSNRGXZWQUHY-QWHCGFSZSA-N 2 0 333.461 1.281 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CCOC1C[NH2+]C1 ZINC000584715365 448604975 /nfs/dbraw/zinc/60/49/75/448604975.db2.gz JDQIHTGDPWRNRZ-HKUYNNGSSA-N 2 0 345.487 1.564 20 0 EDADRP Cc1nc(NC[C@@H](C2CC2)[NH+](C)C)cc(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000539188829 448605559 /nfs/dbraw/zinc/60/55/59/448605559.db2.gz NOAULDXDKBRINX-CALCHBBNSA-N 2 0 346.523 2.289 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000567147816 448624029 /nfs/dbraw/zinc/62/40/29/448624029.db2.gz DXIIZFZVRJXOMP-SZMVWBNQSA-N 2 0 330.476 1.682 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000578745872 448625286 /nfs/dbraw/zinc/62/52/86/448625286.db2.gz LREKEIMFONGJTI-GOSISDBHSA-N 2 0 328.460 1.881 20 0 EDADRP C[N@H+](C[C@@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC1 ZINC000567262937 448652625 /nfs/dbraw/zinc/65/26/25/448652625.db2.gz HYOAXBPSYRSHHZ-IBGZPJMESA-N 2 0 333.476 1.510 20 0 EDADRP C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567456204 448696240 /nfs/dbraw/zinc/69/62/40/448696240.db2.gz ZSAQFZONYNFRCD-RYQLBKOJSA-N 2 0 345.487 1.780 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000567494281 448703046 /nfs/dbraw/zinc/70/30/46/448703046.db2.gz XHKSIVZYERYMDJ-PKOBYXMFSA-N 2 0 348.487 1.825 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000567502347 448704438 /nfs/dbraw/zinc/70/44/38/448704438.db2.gz ICVUBNABMSWKDZ-INIZCTEOSA-N 2 0 342.443 1.966 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000573770261 448706560 /nfs/dbraw/zinc/70/65/60/448706560.db2.gz ZYZOKGUWHZZJJB-ARFHVFGLSA-N 2 0 328.501 1.514 20 0 EDADRP C[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000518775630 448709508 /nfs/dbraw/zinc/70/95/08/448709508.db2.gz SYLLGTAZWILVCZ-BEFAXECRSA-N 2 0 344.459 1.465 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091844 448676134 /nfs/dbraw/zinc/67/61/34/448676134.db2.gz KNUIINKOQVKVSU-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP COc1cc(F)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1OC ZINC000519410363 448767519 /nfs/dbraw/zinc/76/75/19/448767519.db2.gz LVTIAYGQKZXCHQ-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP c1ccc2nc(NCC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000579221199 448743318 /nfs/dbraw/zinc/74/33/18/448743318.db2.gz MYGUNUTXSHHTRC-QXAKKESOSA-N 2 0 340.471 2.393 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000579246981 448753650 /nfs/dbraw/zinc/75/36/50/448753650.db2.gz NFLVDCPVUPQEFX-MJGOQNOKSA-N 2 0 344.503 1.703 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574023975 448771452 /nfs/dbraw/zinc/77/14/52/448771452.db2.gz GOZTUQQSEBTIES-MJGOQNOKSA-N 2 0 328.460 1.659 20 0 EDADRP [NH3+][C@H]1C[C@H]2CN(Cc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000519548806 448783901 /nfs/dbraw/zinc/78/39/01/448783901.db2.gz JOCDZYZBEXBKBV-JQWIXIFHSA-N 2 0 329.322 1.171 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319735 448820353 /nfs/dbraw/zinc/82/03/53/448820353.db2.gz CLZCDLCYGSGBMQ-WBVHZDCISA-N 2 0 346.475 1.314 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000529320872 448822158 /nfs/dbraw/zinc/82/21/58/448822158.db2.gz GUNUBKBITSSSDQ-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP CN1CC[N@H+](CC2(CN3CC[NH+](C)C(C)(C)C3)COC2)CC1(C)C ZINC000519703348 448824798 /nfs/dbraw/zinc/82/47/98/448824798.db2.gz JJICBPYUYMYLSW-UHFFFAOYSA-N 2 0 338.540 1.055 20 0 EDADRP Cn1ccnc1[C@H]1CCN(CC(=O)Nc2cc(C(C)(C)C)nn2C)C1 ZINC000574336393 448849094 /nfs/dbraw/zinc/84/90/94/448849094.db2.gz PIRIXDYKWFDDSS-ZDUSSCGKSA-N 2 0 344.463 1.879 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000568458516 448872480 /nfs/dbraw/zinc/87/24/80/448872480.db2.gz JBENENXEPDWKJU-UAGQMJEPSA-N 2 0 340.512 1.392 20 0 EDADRP FC(F)(F)c1cccc([C@@H]2CN(CCN3CC[NH2+]CC3)CCO2)c1 ZINC000579711524 448860259 /nfs/dbraw/zinc/86/02/59/448860259.db2.gz BZBUXNODQFLISZ-INIZCTEOSA-N 2 0 343.393 1.984 20 0 EDADRP CCOC(=O)c1ccc(N2CCC[N@H+](C[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000592493481 448862356 /nfs/dbraw/zinc/86/23/56/448862356.db2.gz RDYRBCCIZXUEQP-HNNXBMFYSA-N 2 0 332.448 1.380 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(c3ncc[nH]3)CC2)C1 ZINC000588268788 448890259 /nfs/dbraw/zinc/89/02/59/448890259.db2.gz BYHQROKGQGXETD-INIZCTEOSA-N 2 0 349.479 1.656 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000579833796 448891013 /nfs/dbraw/zinc/89/10/13/448891013.db2.gz IAXFGGKXQXNYLV-UONOGXRCSA-N 2 0 328.526 1.773 20 0 EDADRP C[C@]1(CO)CCC[N@@H+]1Cc1cncc(C[NH+]2CCC[C@@]2(C)CO)c1 ZINC000569075646 448957090 /nfs/dbraw/zinc/95/70/90/448957090.db2.gz XJPQILUUCVCZNR-KDURUIRLSA-N 2 0 333.476 1.775 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000574911686 448987928 /nfs/dbraw/zinc/98/79/28/448987928.db2.gz AMQTVJAGEXGZHU-CYBMUJFWSA-N 2 0 340.418 1.519 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)CCCO1 ZINC000569301461 448994265 /nfs/dbraw/zinc/99/42/65/448994265.db2.gz GOKDGNSJUDEXBW-MRXNPFEDSA-N 2 0 334.464 1.525 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCCC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000582065568 449002939 /nfs/dbraw/zinc/00/29/39/449002939.db2.gz WCJJEMAPXZSHCB-IBGZPJMESA-N 2 0 344.503 1.696 20 0 EDADRP C[C@H]1C[C@@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000582086074 449006971 /nfs/dbraw/zinc/00/69/71/449006971.db2.gz IAQXLRSWXOYMHY-XSLAGTTESA-N 2 0 328.497 1.189 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592956790 449078011 /nfs/dbraw/zinc/07/80/11/449078011.db2.gz LQONOWFDEWALIO-CQSZACIVSA-N 2 0 333.480 1.569 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000582243391 449047327 /nfs/dbraw/zinc/04/73/27/449047327.db2.gz LYCWOUNMXKTVRL-RHSMWYFYSA-N 2 0 346.475 1.695 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)n1cccn1 ZINC000530214307 449084949 /nfs/dbraw/zinc/08/49/49/449084949.db2.gz XHEFBMJXEJUPJG-RQJABVFESA-N 2 0 332.370 1.733 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000522230325 449064925 /nfs/dbraw/zinc/06/49/25/449064925.db2.gz HSNNHFBMLDETCJ-MRXNPFEDSA-N 2 0 345.491 1.782 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000575399108 449088780 /nfs/dbraw/zinc/08/87/80/449088780.db2.gz OLKCOIXWTUZKCT-QAPCUYQASA-N 2 0 329.444 1.054 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238009 449090939 /nfs/dbraw/zinc/09/09/39/449090939.db2.gz ILVRJCDBJFLAHV-NXHRZFHOSA-N 2 0 337.508 1.772 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000593316299 449223671 /nfs/dbraw/zinc/22/36/71/449223671.db2.gz OTIXJNPRWXFLLP-CQSZACIVSA-N 2 0 339.480 1.285 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786200 449294649 /nfs/dbraw/zinc/29/46/49/449294649.db2.gz HGVRHYGRVZDDQG-MRXNPFEDSA-N 2 0 327.513 1.970 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@](C)(CO)c2ccccc2)CC1 ZINC000605186999 449356752 /nfs/dbraw/zinc/35/67/52/449356752.db2.gz FNCLIPLBCZMOLS-LJQANCHMSA-N 2 0 333.476 1.473 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000600709013 449507745 /nfs/dbraw/zinc/50/77/45/449507745.db2.gz NGFMHDPNLCHKJN-ZDUSSCGKSA-N 2 0 349.431 1.288 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000606700656 449510976 /nfs/dbraw/zinc/51/09/76/449510976.db2.gz OBLBKGYBSDLWHP-WBVHZDCISA-N 2 0 340.512 1.469 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614451333 449618388 /nfs/dbraw/zinc/61/83/88/449618388.db2.gz PPSWZWLJTXOHAV-ARFHVFGLSA-N 2 0 332.448 1.237 20 0 EDADRP CCOC(=O)c1[nH]c(C)c(C[NH2+]CCCN2CC[NH+](C)CC2)c1C ZINC000598951824 449668177 /nfs/dbraw/zinc/66/81/77/449668177.db2.gz CXDQEMVKYJIKFD-UHFFFAOYSA-N 2 0 336.480 1.535 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000594698797 449631343 /nfs/dbraw/zinc/63/13/43/449631343.db2.gz GSUYBBIJXZANNW-MSOLQXFVSA-N 2 0 330.476 1.752 20 0 EDADRP CCOC(=O)[C@]1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCOC1 ZINC000602743295 449779225 /nfs/dbraw/zinc/77/92/25/449779225.db2.gz DRTQQTRUBDXRJG-SFHVURJKSA-N 2 0 342.480 1.171 20 0 EDADRP CCOC(=O)[C@@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602723748 449768924 /nfs/dbraw/zinc/76/89/24/449768924.db2.gz SODSTMWOQOAFHG-QAPCUYQASA-N 2 0 326.481 1.933 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000597026608 449774346 /nfs/dbraw/zinc/77/43/46/449774346.db2.gz PLHDHFBDHITEGR-KRWDZBQOSA-N 2 0 331.508 1.898 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000608479648 449852564 /nfs/dbraw/zinc/85/25/64/449852564.db2.gz OOUSZBAMKWYTBL-IEBWSBKVSA-N 2 0 333.476 1.326 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612874921 449921429 /nfs/dbraw/zinc/92/14/29/449921429.db2.gz HYDWVVCLEHNUEA-SFHVURJKSA-N 2 0 334.464 1.221 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000612966914 449962036 /nfs/dbraw/zinc/96/20/36/449962036.db2.gz VJLYCMAHPXYPSK-HOTGVXAUSA-N 2 0 334.439 1.870 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000612968717 449963086 /nfs/dbraw/zinc/96/30/86/449963086.db2.gz AWAJMYFJVCMVNX-WBVHZDCISA-N 2 0 330.476 1.948 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985225 449971143 /nfs/dbraw/zinc/97/11/43/449971143.db2.gz KVUGXNAXRQSOEN-QZTJIDSGSA-N 2 0 342.487 1.950 20 0 EDADRP CN(CCC[N@H+](C)[C@@H]1CCN(C2CCCCC2)C1=O)CC[NH+](C)C ZINC000625433047 450358428 /nfs/dbraw/zinc/35/84/28/450358428.db2.gz UOJCMMXDBBNLJN-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP COc1cc(C[NH2+]CCC(=O)N2CCN(C)CC2)ccc1Cl ZINC000623401927 450515296 /nfs/dbraw/zinc/51/52/96/450515296.db2.gz UXSQVVWEXFLFQO-UHFFFAOYSA-N 2 0 325.840 1.602 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351587 450503268 /nfs/dbraw/zinc/50/32/68/450503268.db2.gz WTBRFHBFEANWPP-CQSZACIVSA-N 2 0 325.478 1.339 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1(C)C ZINC000623521689 450536928 /nfs/dbraw/zinc/53/69/28/450536928.db2.gz BQQGQVLBGZRICT-QLFBSQMISA-N 2 0 331.526 1.557 20 0 EDADRP CCOc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1OC ZINC000623617893 450552090 /nfs/dbraw/zinc/55/20/90/450552090.db2.gz UDRDDJJYCOIGJM-HNNXBMFYSA-N 2 0 335.448 1.523 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046300 450561902 /nfs/dbraw/zinc/56/19/02/450561902.db2.gz YDGQCDDAKXHBQX-DSLXNQLJSA-N 2 0 345.487 1.468 20 0 EDADRP CC[N@H+](CCN1C(=O)N[C@H](C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063709 450566263 /nfs/dbraw/zinc/56/62/63/450566263.db2.gz MYFPGCGRKQQFAM-CQSZACIVSA-N 2 0 332.448 1.510 20 0 EDADRP Cc1noc([C@H]2OCC[C@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000626143673 450582805 /nfs/dbraw/zinc/58/28/05/450582805.db2.gz AUXZCONRXLBPRA-CVEARBPZSA-N 2 0 337.468 1.214 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[NH2+]1 ZINC000621160104 450607144 /nfs/dbraw/zinc/60/71/44/450607144.db2.gz YZJOALUCKSBAKB-HZPDHXFCSA-N 2 0 325.522 1.660 20 0 EDADRP CC1CC[NH+]([C@H](CNc2nc(N)[nH+]c(N)n2)c2ccccc2)CC1 ZINC000623882878 450623821 /nfs/dbraw/zinc/62/38/21/450623821.db2.gz LPDCHFSJXFGFFN-CQSZACIVSA-N 2 0 327.436 1.004 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000633043594 450642105 /nfs/dbraw/zinc/64/21/05/450642105.db2.gz PRLVGTCUDLMCQW-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP CNS(=O)(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000621263384 450643002 /nfs/dbraw/zinc/64/30/02/450643002.db2.gz PQRJNUULTWUODE-OAHLLOKOSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624084703 450698488 /nfs/dbraw/zinc/69/84/88/450698488.db2.gz IQCJUZWGNYWTTI-WBVHZDCISA-N 2 0 346.475 1.357 20 0 EDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000629529288 450726287 /nfs/dbraw/zinc/72/62/87/450726287.db2.gz XYOHYFUGCCRBET-AWEZNQCLSA-N 2 0 341.477 1.113 20 0 EDADRP CCC(CC)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000629554314 450733564 /nfs/dbraw/zinc/73/35/64/450733564.db2.gz FOOXAYLVCNFEJX-QZTJIDSGSA-N 2 0 327.513 1.170 20 0 EDADRP O[C@@H](CNCC1([NH+]2CCSCC2)CCCCC1)C[NH+]1CCCC1 ZINC000629561044 450736064 /nfs/dbraw/zinc/73/60/64/450736064.db2.gz HJUKWSAVXFDFCA-KRWDZBQOSA-N 2 0 341.565 1.784 20 0 EDADRP C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000631748924 450748890 /nfs/dbraw/zinc/74/88/90/450748890.db2.gz LSLMFPYTOSYXSV-JKSUJKDBSA-N 2 0 331.526 1.512 20 0 EDADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000621699270 450840667 /nfs/dbraw/zinc/84/06/67/450840667.db2.gz QFHRIJSZTPMWJR-XLIONFOSSA-N 2 0 342.487 1.539 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000631894762 450853838 /nfs/dbraw/zinc/85/38/38/450853838.db2.gz CHEAQCBAZMHCJG-KRWDZBQOSA-N 2 0 343.537 1.752 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631901048 450859628 /nfs/dbraw/zinc/85/96/28/450859628.db2.gz POEONVUQEVSISI-OAHLLOKOSA-N 2 0 341.477 1.100 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ccn1 ZINC000621776218 450863925 /nfs/dbraw/zinc/86/39/25/450863925.db2.gz FYXZBJRHTUMRMA-KRWDZBQOSA-N 2 0 340.475 1.902 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635412198 450919936 /nfs/dbraw/zinc/91/99/36/450919936.db2.gz IKEZJGRHLDVMMQ-HOTGVXAUSA-N 2 0 325.497 1.581 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000626864412 450967650 /nfs/dbraw/zinc/96/76/50/450967650.db2.gz BGOCHIUCWHWWFU-LSDHHAIUSA-N 2 0 332.448 1.252 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2([NH3+])CCOCC2)CCCCCC1 ZINC000626924385 451007245 /nfs/dbraw/zinc/00/72/45/451007245.db2.gz QEBHYQFCFJTBKC-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP C[NH2+]CCOCCNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000626938930 451020247 /nfs/dbraw/zinc/02/02/47/451020247.db2.gz MZYDPJKUQIJQEI-UHFFFAOYSA-N 2 0 348.491 1.359 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939586 451020660 /nfs/dbraw/zinc/02/06/60/451020660.db2.gz JUZJHBOUVZASPE-QGZVFWFLSA-N 2 0 334.464 1.186 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccc(F)cc1 ZINC000626943257 451022089 /nfs/dbraw/zinc/02/20/89/451022089.db2.gz HZYDRYNTZKRAIS-HNNXBMFYSA-N 2 0 338.427 1.236 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635525502 451023730 /nfs/dbraw/zinc/02/37/30/451023730.db2.gz IEXDSBMPPKGACV-KSZLIROESA-N 2 0 328.460 1.969 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626947320 451026523 /nfs/dbraw/zinc/02/65/23/451026523.db2.gz RMBSLOIYGMEXBL-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000635543384 451038136 /nfs/dbraw/zinc/03/81/36/451038136.db2.gz PZBLHCQUTBCLKM-KRWDZBQOSA-N 2 0 333.480 1.290 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000626996866 451062161 /nfs/dbraw/zinc/06/21/61/451062161.db2.gz HGIVZZXXKBGCAU-OWTLIXCDSA-N 2 0 348.413 1.780 20 0 EDADRP CCN(CC[NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000626995683 451062328 /nfs/dbraw/zinc/06/23/28/451062328.db2.gz CUHQMLZBFDFSHL-UHFFFAOYSA-N 2 0 326.485 1.259 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626997734 451062913 /nfs/dbraw/zinc/06/29/13/451062913.db2.gz CAUSOTYKQOUWAA-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000627004277 451069689 /nfs/dbraw/zinc/06/96/89/451069689.db2.gz HYQSPMKAAQIGNL-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009496 451073778 /nfs/dbraw/zinc/07/37/78/451073778.db2.gz GRIVMDBMKDQRNI-SJLPKXTDSA-N 2 0 348.491 1.562 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000627017058 451082030 /nfs/dbraw/zinc/08/20/30/451082030.db2.gz ZARGZZNZDAQMCT-IBGZPJMESA-N 2 0 348.491 1.658 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH2+]C[C@H]1C(C)C)CCC(F)(F)F ZINC000627019574 451083838 /nfs/dbraw/zinc/08/38/38/451083838.db2.gz IQRSIFZMSDCPJO-ZDUSSCGKSA-N 2 0 338.418 1.900 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627023329 451086173 /nfs/dbraw/zinc/08/61/73/451086173.db2.gz QNHDJEFENHUUFE-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)CCC1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632185196 451099714 /nfs/dbraw/zinc/09/97/14/451099714.db2.gz WNUCZFMTCGJAGA-UHFFFAOYSA-N 2 0 331.526 1.466 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[NH2+]C1 ZINC000627040996 451097249 /nfs/dbraw/zinc/09/72/49/451097249.db2.gz YVZYTRCBWXXLKY-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@]1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000627082883 451115607 /nfs/dbraw/zinc/11/56/07/451115607.db2.gz CDZZITQPGPZUNH-BZPMIXESSA-N 2 0 336.402 1.545 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000627113953 451130384 /nfs/dbraw/zinc/13/03/84/451130384.db2.gz RHCQUBAZCQBWRU-ULQDDVLXSA-N 2 0 346.450 1.855 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC1CC[NH+](CC3CC3)CC1)C2 ZINC000627120828 451135773 /nfs/dbraw/zinc/13/57/73/451135773.db2.gz VVZAGAYURGGBLN-KDURUIRLSA-N 2 0 334.508 1.749 20 0 EDADRP Cc1ncc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)o1 ZINC000628153114 451160062 /nfs/dbraw/zinc/16/00/62/451160062.db2.gz AJQRXHRUIXAIFS-UHFFFAOYSA-N 2 0 336.480 1.899 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635705024 451184689 /nfs/dbraw/zinc/18/46/89/451184689.db2.gz RHHWUBVQMNPWFT-QYZOEREBSA-N 2 0 349.519 1.887 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627219399 451193519 /nfs/dbraw/zinc/19/35/19/451193519.db2.gz VKVVOMIPSZAVLP-GOSISDBHSA-N 2 0 348.491 1.310 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC000635799568 451247915 /nfs/dbraw/zinc/24/79/15/451247915.db2.gz BQADOKSGMAKCJQ-CALCHBBNSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CN1CC[NH2+]CC1 ZINC000638118625 451286435 /nfs/dbraw/zinc/28/64/35/451286435.db2.gz BQTBXZLTXLPTHQ-YRWFTTLQSA-N 2 0 344.503 1.164 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000638103192 451270480 /nfs/dbraw/zinc/27/04/80/451270480.db2.gz LRVSUDWSPXXXIF-CAIZAGQASA-N 2 0 345.487 1.923 20 0 EDADRP C[N@H+](CC(=O)N(CCN1CCOCC1)[C@@H]1CCSC1)C1CCC1 ZINC000640346874 451274588 /nfs/dbraw/zinc/27/45/88/451274588.db2.gz AVZVMGSBKBLLDY-MRXNPFEDSA-N 2 0 341.521 1.137 20 0 EDADRP CN(CCC[NH+](C)C)CCn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000630611825 451275735 /nfs/dbraw/zinc/27/57/35/451275735.db2.gz LBQPTRHGECRLPP-GOSISDBHSA-N 2 0 330.480 1.404 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638115007 451282620 /nfs/dbraw/zinc/28/26/20/451282620.db2.gz FGNPIONTZPBZCK-MOPGFXCFSA-N 2 0 346.519 1.826 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH+](C2CCOCC2)CC1 ZINC000638122988 451292158 /nfs/dbraw/zinc/29/21/58/451292158.db2.gz UBLXFZJFVKABKT-UHFFFAOYSA-N 2 0 343.471 1.198 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C1CCOCC1 ZINC000638137845 451312163 /nfs/dbraw/zinc/31/21/63/451312163.db2.gz PDVYDUHKHRZDPC-YTQUADARSA-N 2 0 339.524 1.386 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC000635839314 451288163 /nfs/dbraw/zinc/28/81/63/451288163.db2.gz FQAQHYCOOPLYAW-UYAOXDASSA-N 2 0 345.487 1.424 20 0 EDADRP COC[C@@]1(CNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000638231493 451371266 /nfs/dbraw/zinc/37/12/66/451371266.db2.gz PRKNTTKLEGZTAY-ZFWWWQNUSA-N 2 0 345.365 1.590 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638271272 451390028 /nfs/dbraw/zinc/39/00/28/451390028.db2.gz OAIJGOWXEORJBP-GOSISDBHSA-N 2 0 332.492 1.435 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635894219 451337893 /nfs/dbraw/zinc/33/78/93/451337893.db2.gz FDGFZYWPOLVAKE-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP O=C1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCN1 ZINC000638274994 451394007 /nfs/dbraw/zinc/39/40/07/451394007.db2.gz RIJHCHCSQGYDCS-QGZVFWFLSA-N 2 0 331.460 1.402 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCCC[NH2+]1 ZINC000638279817 451398692 /nfs/dbraw/zinc/39/86/92/451398692.db2.gz SGNUOQSVWYIAAF-LJQANCHMSA-N 2 0 346.475 1.321 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000640556387 451404065 /nfs/dbraw/zinc/40/40/65/451404065.db2.gz IJPBWHWLBHLMMS-UHFFFAOYSA-N 2 0 340.431 1.892 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640562489 451406478 /nfs/dbraw/zinc/40/64/78/451406478.db2.gz HNYPYXVXSHNXKB-HNNXBMFYSA-N 2 0 337.468 1.622 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357453 451456801 /nfs/dbraw/zinc/45/68/01/451456801.db2.gz MHQWFNXZONWNHM-CYGHRXIMSA-N 2 0 332.492 1.278 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379768 451474981 /nfs/dbraw/zinc/47/49/81/451474981.db2.gz MZGUOMPAEPIHFC-HFCFLWKCSA-N 2 0 330.476 1.176 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000630907614 451476850 /nfs/dbraw/zinc/47/68/50/451476850.db2.gz NSBXXRZVLNKTCR-ZWKOTPCHSA-N 2 0 333.476 1.974 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638395283 451484202 /nfs/dbraw/zinc/48/42/02/451484202.db2.gz AXWVNXFNJFYTPA-OCCSQVGLSA-N 2 0 345.447 1.255 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638398249 451487857 /nfs/dbraw/zinc/48/78/57/451487857.db2.gz UBHKKNNINWYLPR-GOSISDBHSA-N 2 0 332.492 1.390 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638343954 451448511 /nfs/dbraw/zinc/44/85/11/451448511.db2.gz OPLHXSIWIABANL-SFHVURJKSA-N 3 0 344.503 1.438 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000638432959 451512265 /nfs/dbraw/zinc/51/22/65/451512265.db2.gz OCWPCBLKEOUBJL-ZWKOTPCHSA-N 2 0 349.475 1.134 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638438402 451516702 /nfs/dbraw/zinc/51/67/02/451516702.db2.gz JCPKYJRSJFAIMP-KRWDZBQOSA-N 2 0 334.508 1.682 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000636140335 451543439 /nfs/dbraw/zinc/54/34/39/451543439.db2.gz ODGVVCGRORIMHN-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000638505825 451550644 /nfs/dbraw/zinc/55/06/44/451550644.db2.gz OTBJFFQAMQARNF-GOSISDBHSA-N 2 0 342.487 1.448 20 0 EDADRP CCN(C(=O)[C@H]1CCN1Cc1ccc(OC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000636159589 451554068 /nfs/dbraw/zinc/55/40/68/451554068.db2.gz CZZXECIGECRBSS-SJLPKXTDSA-N 2 0 331.460 1.822 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCCC2)o1 ZINC000638527885 451559663 /nfs/dbraw/zinc/55/96/63/451559663.db2.gz HKVVJOBQJIKFHX-UHFFFAOYSA-N 2 0 329.466 1.673 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631066181 451564068 /nfs/dbraw/zinc/56/40/68/451564068.db2.gz ZRGAWRIMCKRGBV-UHFFFAOYSA-N 2 0 347.503 1.829 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C(F)(F)F ZINC000638555507 451574766 /nfs/dbraw/zinc/57/47/66/451574766.db2.gz HIESJWMJESDZLC-YPMHNXCESA-N 2 0 326.322 1.934 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000638546200 451571351 /nfs/dbraw/zinc/57/13/51/451571351.db2.gz CITSPSRFCSEGDE-MELADBBJSA-N 2 0 329.366 1.542 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000638601457 451599485 /nfs/dbraw/zinc/59/94/85/451599485.db2.gz DGKXWJLJNMRMGO-IAGOWNOFSA-N 2 0 337.508 1.997 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638567234 451579653 /nfs/dbraw/zinc/57/96/53/451579653.db2.gz KMYNZSUCXGURES-GOEBONIOSA-N 2 0 348.466 1.897 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634953814 451622020 /nfs/dbraw/zinc/62/20/20/451622020.db2.gz LFEINNHLZKVMCO-GOSISDBHSA-N 2 0 330.476 1.192 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCNC(=O)CC2)c1 ZINC000634959612 451623951 /nfs/dbraw/zinc/62/39/51/451623951.db2.gz WWTFSVBPQPAJHL-QGZVFWFLSA-N 2 0 349.475 1.402 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000638720743 451664791 /nfs/dbraw/zinc/66/47/91/451664791.db2.gz IFDGHPWHKCFJNE-UHFFFAOYSA-N 2 0 343.493 1.775 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631229275 451651670 /nfs/dbraw/zinc/65/16/70/451651670.db2.gz IEIKIMKKKQASDK-DOTOQJQBSA-N 2 0 339.505 1.568 20 0 EDADRP Cn1cc(CCC[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000638694037 451657731 /nfs/dbraw/zinc/65/77/31/451657731.db2.gz ZEKNXIIUNKCHKN-UHFFFAOYSA-N 2 0 333.524 1.893 20 0 EDADRP [NH3+][C@@H](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000638879291 451717430 /nfs/dbraw/zinc/71/74/30/451717430.db2.gz GIAMHPSRRZWNHM-DZGCQCFKSA-N 2 0 329.366 1.605 20 0 EDADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779287 451687849 /nfs/dbraw/zinc/68/78/49/451687849.db2.gz JEMZZFKSUQUTRH-IEBWSBKVSA-N 2 0 343.471 1.491 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000638805172 451696453 /nfs/dbraw/zinc/69/64/53/451696453.db2.gz YPEXZHAYGQMXNB-VIQWUECVSA-N 2 0 345.487 1.911 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(C(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)CCO2 ZINC000638807830 451697580 /nfs/dbraw/zinc/69/75/80/451697580.db2.gz POSCTOHZHGOWLY-OAHLLOKOSA-N 2 0 341.415 1.306 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000638883284 451718714 /nfs/dbraw/zinc/71/87/14/451718714.db2.gz ZPJVZSXWACMWHT-IEBWSBKVSA-N 2 0 341.455 1.641 20 0 EDADRP COCC[NH2+]CC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000638831637 451704599 /nfs/dbraw/zinc/70/45/99/451704599.db2.gz NMJXCOVMBLVYDA-CQSZACIVSA-N 2 0 347.381 1.660 20 0 EDADRP COC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000638837032 451706361 /nfs/dbraw/zinc/70/63/61/451706361.db2.gz XHDSUTLPAQFSCC-AEFFLSMTSA-N 2 0 345.487 1.639 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850039 451710238 /nfs/dbraw/zinc/71/02/38/451710238.db2.gz AYMDKBJGVJLHBP-OALUTQOASA-N 2 0 345.487 1.926 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(F)c2N)cc1 ZINC000638871907 451715407 /nfs/dbraw/zinc/71/54/07/451715407.db2.gz DBPGSTXFSHLQOY-UHFFFAOYSA-N 2 0 344.434 1.989 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632962200 451671430 /nfs/dbraw/zinc/67/14/30/451671430.db2.gz YZFBUUMBAOZTPY-MRXNPFEDSA-N 2 0 334.468 1.756 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000638924855 451737277 /nfs/dbraw/zinc/73/72/77/451737277.db2.gz HBTWCJBTMSNELJ-HDICACEKSA-N 2 0 342.487 1.793 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@H]([NH3+])C(C)(C)C)nn2)CC1 ZINC000641046768 451741194 /nfs/dbraw/zinc/74/11/94/451741194.db2.gz DYCNNFRYYUAUNN-INIZCTEOSA-N 2 0 336.484 1.313 20 0 EDADRP O=C(Cc1ccc2c(c1)NCC2)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983471 451746076 /nfs/dbraw/zinc/74/60/76/451746076.db2.gz ANPBBHWOUXJXRA-UHFFFAOYSA-N 2 0 337.427 1.640 20 0 EDADRP CC(C)C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)n1ccnc1 ZINC000638984051 451746133 /nfs/dbraw/zinc/74/61/33/451746133.db2.gz PPQLPWYPMLBUIM-INIZCTEOSA-N 2 0 342.447 1.914 20 0 EDADRP Cc1ccn([C@H](C)CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638985183 451746363 /nfs/dbraw/zinc/74/63/63/451746363.db2.gz BKXUJADAJMEZAB-CQSZACIVSA-N 2 0 328.420 1.586 20 0 EDADRP COC[C@H]([NH3+])Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641180012 451771424 /nfs/dbraw/zinc/77/14/24/451771424.db2.gz ZKZFSBDMOUHSPX-GOSISDBHSA-N 2 0 343.475 1.829 20 0 EDADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]C3CC[NH+](CC(C)(C)O)CC3)[C@@H]2C1 ZINC000639186594 451788161 /nfs/dbraw/zinc/78/81/61/451788161.db2.gz PYHCHXJXTSLMNY-CGTJXYLNSA-N 2 0 337.508 1.458 20 0 EDADRP CC(C)(CNc1cccc(C[N@@H+]2CC[C@H](O)C2)c1)[NH+]1CCOCC1 ZINC000639196474 451789878 /nfs/dbraw/zinc/78/98/78/451789878.db2.gz CRBSPOFCQWNLMJ-SFHVURJKSA-N 2 0 333.476 1.776 20 0 EDADRP O[C@@]1(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230361 451791191 /nfs/dbraw/zinc/79/11/91/451791191.db2.gz PWYOUXKELWMHHP-MJGOQNOKSA-N 2 0 341.459 1.382 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000642244563 451844073 /nfs/dbraw/zinc/84/40/73/451844073.db2.gz ZLVJWYHDNGBPCG-JKSUJKDBSA-N 2 0 340.512 1.201 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000644616633 451898344 /nfs/dbraw/zinc/89/83/44/451898344.db2.gz IADKJJIAQDZSKD-IBGZPJMESA-N 2 0 346.519 1.375 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000649134120 451868058 /nfs/dbraw/zinc/86/80/58/451868058.db2.gz NBGGDKFCCQIHJF-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000644584138 451876973 /nfs/dbraw/zinc/87/69/73/451876973.db2.gz JBOITTFKOAZFEZ-HXUWFJFHSA-N 2 0 348.535 1.095 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000646847547 451885652 /nfs/dbraw/zinc/88/56/52/451885652.db2.gz ABCGEVMALPJZEC-CRAIPNDOSA-N 2 0 331.460 1.473 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000646851746 451888842 /nfs/dbraw/zinc/88/88/42/451888842.db2.gz ZZWHLKOFKMIVDP-ZVZYQTTQSA-N 2 0 349.450 1.612 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637474751 451893104 /nfs/dbraw/zinc/89/31/04/451893104.db2.gz IPXPZMOXBSDWAX-KRWDZBQOSA-N 3 0 339.528 1.138 20 0 EDADRP Cc1ccc(C2(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000644656566 451921549 /nfs/dbraw/zinc/92/15/49/451921549.db2.gz URYFSOYKVILJPM-GOSISDBHSA-N 2 0 331.504 1.533 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000646934904 451949724 /nfs/dbraw/zinc/94/97/24/451949724.db2.gz XNKNKXAFXIJEKD-OALUTQOASA-N 2 0 342.487 1.210 20 0 EDADRP C[N@H+](CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000649281495 451953994 /nfs/dbraw/zinc/95/39/94/451953994.db2.gz NMEYJPHEMLVWIC-HNNXBMFYSA-N 2 0 325.403 1.870 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)c1cccc(OC)c1 ZINC000649282836 451956476 /nfs/dbraw/zinc/95/64/76/451956476.db2.gz KNWBENWEKAMQRN-BGTYHANMSA-N 2 0 331.460 1.945 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000649288494 451963318 /nfs/dbraw/zinc/96/33/18/451963318.db2.gz VHVSVYUVEHWHRA-LPHOPBHVSA-N 2 0 345.487 1.913 20 0 EDADRP COCCC1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000649289617 451964325 /nfs/dbraw/zinc/96/43/25/451964325.db2.gz BPQRHPWAXKEHES-UHFFFAOYSA-N 2 0 337.508 1.916 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649290452 451966544 /nfs/dbraw/zinc/96/65/44/451966544.db2.gz JJSBRMVGLUBNCZ-NXHRZFHOSA-N 2 0 331.460 1.774 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000649292980 451968982 /nfs/dbraw/zinc/96/89/82/451968982.db2.gz RTUOYDZPFCLTCJ-DOTOQJQBSA-N 2 0 348.495 1.270 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(N)CC[N@H+](C)C1)Cc1ccccc1 ZINC000649292628 451969428 /nfs/dbraw/zinc/96/94/28/451969428.db2.gz UFAITNCIPJBGII-PKOBYXMFSA-N 2 0 332.492 1.089 20 0 EDADRP COCCC1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293135 451969889 /nfs/dbraw/zinc/96/98/89/451969889.db2.gz AHKPDMPGQJGVHI-CVEARBPZSA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649298915 451975826 /nfs/dbraw/zinc/97/58/26/451975826.db2.gz KCISIMZDODUEBF-INIZCTEOSA-N 2 0 340.512 1.153 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308869 451987146 /nfs/dbraw/zinc/98/71/46/451987146.db2.gz DIKZHSNGLDTSBC-LSDHHAIUSA-N 2 0 337.489 1.312 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000649315813 451995203 /nfs/dbraw/zinc/99/52/03/451995203.db2.gz PPCRUFZOYOJAGL-KRWDZBQOSA-N 2 0 331.460 1.827 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CCC[NH2+]1 ZINC000649321885 451999491 /nfs/dbraw/zinc/99/94/91/451999491.db2.gz SYJAHHKXOGWMKV-HQRMLTQVSA-N 2 0 345.487 1.924 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000639654261 452001954 /nfs/dbraw/zinc/00/19/54/452001954.db2.gz CCSANMGDPGARQL-QGZVFWFLSA-N 2 0 336.505 1.876 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000642976685 452005233 /nfs/dbraw/zinc/00/52/33/452005233.db2.gz MGBWCXGMUWYONU-WMLDXEAASA-N 2 0 346.475 1.312 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649330074 452012234 /nfs/dbraw/zinc/01/22/34/452012234.db2.gz UXWGQPLXQAMQMG-FUHWJXTLSA-N 2 0 345.487 1.876 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649331732 452013618 /nfs/dbraw/zinc/01/36/18/452013618.db2.gz SCKNLPSPDXCUMD-CABCVRRESA-N 2 0 348.495 1.443 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)[C@H]1c1cccs1 ZINC000649341119 452021532 /nfs/dbraw/zinc/02/15/32/452021532.db2.gz OIDCGSPYVSXDKC-BBRMVZONSA-N 2 0 337.489 1.626 20 0 EDADRP COCCC1(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]CC1 ZINC000649341646 452021685 /nfs/dbraw/zinc/02/16/85/452021685.db2.gz NLKOZXRJIJTPKY-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]3C[NH2+]CCOC3)CC2)CC1 ZINC000649344656 452024667 /nfs/dbraw/zinc/02/46/67/452024667.db2.gz KTJIFZZRSYYADE-ADKAHSJRSA-N 2 0 337.508 1.581 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651705907 452025848 /nfs/dbraw/zinc/02/58/48/452025848.db2.gz MAOQCDRGBQZVRV-UHFFFAOYSA-N 2 0 342.491 1.631 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC[N@@H+]1CCOC ZINC000649379026 452051944 /nfs/dbraw/zinc/05/19/44/452051944.db2.gz CDKQFYBZPFGYTG-BRWVUGGUSA-N 2 0 325.497 1.853 20 0 EDADRP CC(C)c1cnc(CN(C)[C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)o1 ZINC000649414299 452076985 /nfs/dbraw/zinc/07/69/85/452076985.db2.gz RQIFPKGPQBBAAS-INIZCTEOSA-N 2 0 335.496 1.209 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417988 452080458 /nfs/dbraw/zinc/08/04/58/452080458.db2.gz SZZPVPDOHLHLBZ-SJORKVTESA-N 3 0 336.524 1.299 20 0 EDADRP c1ccc(N2CC[NH+](CCc3nc([C@H]4CCC[NH2+]4)no3)CC2)cc1 ZINC000647151695 452091357 /nfs/dbraw/zinc/09/13/57/452091357.db2.gz MWPMVKNWFCCCRB-MRXNPFEDSA-N 2 0 327.432 1.859 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NCCC[NH2+]Cc1cccnc1 ZINC000637806435 452092169 /nfs/dbraw/zinc/09/21/69/452092169.db2.gz JZSPBVJYBWLJKO-UHFFFAOYSA-N 2 0 338.455 1.566 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCCN2C)CC1 ZINC000649488088 452106832 /nfs/dbraw/zinc/10/68/32/452106832.db2.gz BGEXOYAQDUBHMM-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cn1 ZINC000647180166 452108973 /nfs/dbraw/zinc/10/89/73/452108973.db2.gz JOBCZCHTDTVSJQ-KRWDZBQOSA-N 2 0 327.476 1.906 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C[C@@H](C)[NH2+]1 ZINC000637840099 452110567 /nfs/dbraw/zinc/11/05/67/452110567.db2.gz NLUCRUNZMWCVQZ-CHWSQXEVSA-N 2 0 345.447 1.126 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637850341 452115043 /nfs/dbraw/zinc/11/50/43/452115043.db2.gz AKIDZEPVKANNDY-LJQANCHMSA-N 2 0 346.519 1.860 20 0 EDADRP CN1CCC[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000649537394 452134053 /nfs/dbraw/zinc/13/40/53/452134053.db2.gz DNFLGPWQDVMBHJ-KRWDZBQOSA-N 2 0 338.540 1.497 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccn3)C2)C1 ZINC000647252287 452145552 /nfs/dbraw/zinc/14/55/52/452145552.db2.gz BAEXWAFVJBESEO-AZUAARDMSA-N 2 0 342.487 1.990 20 0 EDADRP CN1CCN([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183300 452198687 /nfs/dbraw/zinc/19/86/87/452198687.db2.gz UDSFIHVUCSJQQK-LSDHHAIUSA-N 2 0 336.505 1.152 20 0 EDADRP Nc1nc(N2CC[C@H](OCC[NH+]3CCCCC3)C2)c2c([nH+]1)CCCC2 ZINC000645197106 452206747 /nfs/dbraw/zinc/20/67/47/452206747.db2.gz ZQTJEXAKCWOGAU-HNNXBMFYSA-N 2 0 345.491 2.019 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645204465 452209023 /nfs/dbraw/zinc/20/90/23/452209023.db2.gz CZZVKSWEJKJXKF-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccncc3N)cc2)CC1 ZINC000641707841 452213542 /nfs/dbraw/zinc/21/35/42/452213542.db2.gz LCZTYAWVERGJEZ-UHFFFAOYSA-N 2 0 325.460 1.701 20 0 EDADRP c1ccc2c(N[C@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc[nH+]c2c1 ZINC000641719420 452218278 /nfs/dbraw/zinc/21/82/78/452218278.db2.gz QWDNURWIOWUFBR-KRWDZBQOSA-N 2 0 340.471 1.865 20 0 EDADRP CC[C@@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC[NH2+]1 ZINC000643474865 452240692 /nfs/dbraw/zinc/24/06/92/452240692.db2.gz IUPYDXHUWRYODC-OAGGEKHMSA-N 2 0 343.479 1.461 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000641801839 452276876 /nfs/dbraw/zinc/27/68/76/452276876.db2.gz FQEQIHAKHGMLSM-ROUUACIJSA-N 2 0 344.503 1.614 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659431476 452277724 /nfs/dbraw/zinc/27/77/24/452277724.db2.gz NCKWXXRFUMFSQK-OAGGEKHMSA-N 2 0 348.491 1.703 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NCC12CC(C1)C[NH2+]2 ZINC000659433431 452280151 /nfs/dbraw/zinc/28/01/51/452280151.db2.gz IRXLEXPAHVEBAU-UHFFFAOYSA-N 2 0 328.460 1.834 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659443046 452290798 /nfs/dbraw/zinc/29/07/98/452290798.db2.gz WYLDUAFQLFQYLO-CKXIEVRYSA-N 2 0 328.460 1.955 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652117874 452314819 /nfs/dbraw/zinc/31/48/19/452314819.db2.gz AFJQOYJWCQNTGM-BRWVUGGUSA-N 2 0 334.464 1.295 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652128122 452323248 /nfs/dbraw/zinc/32/32/48/452323248.db2.gz PHPHWDLPRDSZIJ-YYIAUSFCSA-N 2 0 340.512 1.360 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638052978 452329389 /nfs/dbraw/zinc/32/93/89/452329389.db2.gz CQYXWQFDNDIIDN-LJQANCHMSA-N 2 0 333.476 1.900 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@H]1C ZINC000665760742 452330124 /nfs/dbraw/zinc/33/01/24/452330124.db2.gz OKDVLGRTJYCHMJ-GVDBMIGSSA-N 2 0 341.544 1.383 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652149061 452343036 /nfs/dbraw/zinc/34/30/36/452343036.db2.gz QAZGGFFQHNZDBT-IXDOHACOSA-N 2 0 340.512 1.646 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000638057892 452344770 /nfs/dbraw/zinc/34/47/70/452344770.db2.gz DAURREITVGOSKX-IBGZPJMESA-N 2 0 344.503 1.533 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000638062345 452357204 /nfs/dbraw/zinc/35/72/04/452357204.db2.gz FMRNZISYWQCNTA-WMZOPIPTSA-N 2 0 335.448 1.010 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659495525 452357770 /nfs/dbraw/zinc/35/77/70/452357770.db2.gz BWPFDBQPUSVHIF-QZTJIDSGSA-N 2 0 346.475 1.154 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)Cc1ccccc1 ZINC000638065706 452366870 /nfs/dbraw/zinc/36/68/70/452366870.db2.gz WBWPCNXNYFBZRM-QGZVFWFLSA-N 2 0 341.459 1.618 20 0 EDADRP [NH3+]C[C@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCOC1 ZINC000638068547 452373298 /nfs/dbraw/zinc/37/32/98/452373298.db2.gz CMMLBGAENQNRQQ-LJQANCHMSA-N 2 0 331.460 1.307 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638070801 452378542 /nfs/dbraw/zinc/37/85/42/452378542.db2.gz AONMVVLRAJTBMS-QZTJIDSGSA-N 2 0 332.492 1.246 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659522246 452387507 /nfs/dbraw/zinc/38/75/07/452387507.db2.gz JGJMMIBPZCOVIG-QGZVFWFLSA-N 2 0 348.491 1.570 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638079954 452394406 /nfs/dbraw/zinc/39/44/06/452394406.db2.gz JZOMAMHAHBRUFM-LJQANCHMSA-N 2 0 346.519 1.684 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000638080806 452399199 /nfs/dbraw/zinc/39/91/99/452399199.db2.gz QYJWDUYNYCNRAE-QGZVFWFLSA-N 2 0 339.443 1.720 20 0 EDADRP COC[C@@]1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000659540173 452400264 /nfs/dbraw/zinc/40/02/64/452400264.db2.gz CRTIJYGZZUQBFW-SFHVURJKSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663686089 452422124 /nfs/dbraw/zinc/42/21/24/452422124.db2.gz CTGYUKRTDCMPMD-HOTGVXAUSA-N 2 0 339.528 1.042 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659566334 452422137 /nfs/dbraw/zinc/42/21/37/452422137.db2.gz JPQMDHCWFLJEAR-QZTJIDSGSA-N 2 0 345.491 1.863 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567692 452423541 /nfs/dbraw/zinc/42/35/41/452423541.db2.gz YAJJCUIFGGGBHQ-SFHVURJKSA-N 2 0 345.491 1.687 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652240579 452427486 /nfs/dbraw/zinc/42/74/86/452427486.db2.gz HLRJNPOSHSMUOE-LJQANCHMSA-N 2 0 346.475 1.052 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000659603246 452458829 /nfs/dbraw/zinc/45/88/29/452458829.db2.gz XVKWQZFZUIMHIC-WMZOPIPTSA-N 2 0 349.523 1.083 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C[C@H]21 ZINC000659608316 452463422 /nfs/dbraw/zinc/46/34/22/452463422.db2.gz MQHXTPBMRRWYOI-XLNGHYISSA-N 2 0 336.480 1.009 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000652313818 452488449 /nfs/dbraw/zinc/48/84/49/452488449.db2.gz KFCHYRGKABDQBB-UHFFFAOYSA-N 2 0 338.496 1.130 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000655680959 452505470 /nfs/dbraw/zinc/50/54/70/452505470.db2.gz QSVPRIAZUOAZDW-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000652341426 452513532 /nfs/dbraw/zinc/51/35/32/452513532.db2.gz OUMKXEATOMMOQK-AABGKKOBSA-N 2 0 331.504 1.943 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348477 452522236 /nfs/dbraw/zinc/52/22/36/452522236.db2.gz FKLFFIFYWPSTKN-OTWHNJEPSA-N 2 0 345.487 1.830 20 0 EDADRP Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647788689 452522707 /nfs/dbraw/zinc/52/27/07/452522707.db2.gz OPXJZWVGOSTFGU-ZIFCJYIRSA-N 2 0 346.494 1.925 20 0 EDADRP c1ccc(-c2ccc(NCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)nn2)cc1 ZINC000647788063 452522785 /nfs/dbraw/zinc/52/27/85/452522785.db2.gz BUHFOXIGSWGBPB-KZNAEPCWSA-N 2 0 337.471 2.533 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791216 452524096 /nfs/dbraw/zinc/52/40/96/452524096.db2.gz AUTNNZGMZZGCOG-BZUAXINKSA-N 2 0 337.489 1.415 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000647792863 452524216 /nfs/dbraw/zinc/52/42/16/452524216.db2.gz BNKRHUWPMUYUQP-HZSPNIEDSA-N 2 0 343.518 1.313 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCCC1)C1CCCCC1 ZINC000659699545 452583475 /nfs/dbraw/zinc/58/34/75/452583475.db2.gz XCBIWGBVDSDHBZ-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000659705987 452596500 /nfs/dbraw/zinc/59/65/00/452596500.db2.gz BHLWSEBNEYCRBD-GJZGRUSLSA-N 2 0 346.475 1.052 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCn3nccc32)CC1 ZINC000657901952 452599710 /nfs/dbraw/zinc/59/97/10/452599710.db2.gz UNFJUJBZJYXRIW-INIZCTEOSA-N 2 0 347.507 1.934 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000645634862 452637625 /nfs/dbraw/zinc/63/76/25/452637625.db2.gz FLNVNFUGOTYTJB-IRXDYDNUSA-N 2 0 331.464 1.508 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000659744768 452642371 /nfs/dbraw/zinc/64/23/71/452642371.db2.gz QKYASDBUIKQYDQ-MRXNPFEDSA-N 2 0 340.512 1.055 20 0 EDADRP Cc1c(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)ncnc1N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000663943485 452662923 /nfs/dbraw/zinc/66/29/23/452662923.db2.gz ZKHAAVZQRUNZGB-GEEKYZPCSA-N 2 0 346.523 1.843 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655907211 452664678 /nfs/dbraw/zinc/66/46/78/452664678.db2.gz DMXOKGVCMQDMOD-DLBZAZTESA-N 2 0 329.448 1.866 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655913757 452672482 /nfs/dbraw/zinc/67/24/82/452672482.db2.gz INJSLDJXUGNEGS-PWSUYJOCSA-N 2 0 336.358 1.851 20 0 EDADRP CC[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647934455 452675724 /nfs/dbraw/zinc/67/57/24/452675724.db2.gz GFXSNYMLWUJZOH-KBAYOESNSA-N 2 0 332.492 1.465 20 0 EDADRP COCC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000647952059 452694199 /nfs/dbraw/zinc/69/41/99/452694199.db2.gz KOHSYFWBVOQJPY-QGZVFWFLSA-N 2 0 349.475 1.191 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000655927269 452695187 /nfs/dbraw/zinc/69/51/87/452695187.db2.gz HAMPLORDNZCHDG-BNOWGMLFSA-N 2 0 344.381 1.838 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976156 452721014 /nfs/dbraw/zinc/72/10/14/452721014.db2.gz KZXMXZOFZBZTPD-KBPBESRZSA-N 2 0 347.488 1.671 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CCN1CC(F)(F)F ZINC000647978177 452723244 /nfs/dbraw/zinc/72/32/44/452723244.db2.gz NRKGVIBJBNQAAS-HZSPNIEDSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658143622 452750629 /nfs/dbraw/zinc/75/06/29/452750629.db2.gz BOBPTOLHRGHKNC-HOJAQTOUSA-N 2 0 348.487 1.655 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000648044713 452779283 /nfs/dbraw/zinc/77/92/83/452779283.db2.gz SSBOYGDGEQMRHN-QGZVFWFLSA-N 2 0 346.523 1.417 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NCCC1(C[NH3+])CC1)C1CCCCC1 ZINC000652682059 452831297 /nfs/dbraw/zinc/83/12/97/452831297.db2.gz AGEXYJQJWNBUNM-UHFFFAOYSA-N 2 0 338.496 1.002 20 0 EDADRP COCCC1(C(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[NH2+]CC1 ZINC000648130800 452845762 /nfs/dbraw/zinc/84/57/62/452845762.db2.gz ZEQPUPOISDIBOZ-MSOLQXFVSA-N 2 0 345.487 1.594 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)[N@H+]1CCO ZINC000654738786 452866681 /nfs/dbraw/zinc/86/66/81/452866681.db2.gz RCPSVVCWCCTUFZ-TWMKSMIVSA-N 2 0 338.496 1.100 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654758955 452890478 /nfs/dbraw/zinc/89/04/78/452890478.db2.gz XTTZNXXVDLYBRV-MSOLQXFVSA-N 2 0 331.460 1.345 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)C3([NH3+])Cc4ccccc4C3)CC2)C1 ZINC000648178175 452892440 /nfs/dbraw/zinc/89/24/40/452892440.db2.gz YBZXJUZUONFYHP-ROUUACIJSA-N 2 0 343.471 1.228 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000664225569 452901785 /nfs/dbraw/zinc/90/17/85/452901785.db2.gz KOSXEDDYYWBETB-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)C1 ZINC000650721967 452952387 /nfs/dbraw/zinc/95/23/87/452952387.db2.gz HIOBYBFRVNOEPI-KZNAEPCWSA-N 2 0 345.491 1.938 20 0 EDADRP Cc1ccc2[nH]c(CNC(=O)NCCN(C)CCC[NH+](C)C)nc2c1 ZINC000664284905 452964052 /nfs/dbraw/zinc/96/40/52/452964052.db2.gz VUBJXDWWXQAQAL-UHFFFAOYSA-N 2 0 346.479 1.554 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977979 452966347 /nfs/dbraw/zinc/96/63/47/452966347.db2.gz PIYVNBLSEHZKNA-SJLPKXTDSA-N 2 0 336.524 1.569 20 0 EDADRP O=C(CC1CCCC1)N1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250867 452975431 /nfs/dbraw/zinc/97/54/31/452975431.db2.gz QGAZDFGJIXGAQS-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000662310046 453028357 /nfs/dbraw/zinc/02/83/57/453028357.db2.gz GOTJUILLJMBLNX-RDJZCZTQSA-N 2 0 337.489 1.892 20 0 EDADRP O=C1CCCN1CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328653 453048471 /nfs/dbraw/zinc/04/84/71/453048471.db2.gz SQEFMNIKQHLQCL-UHFFFAOYSA-N 2 0 345.491 1.679 20 0 EDADRP CCc1nocc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337225 453052804 /nfs/dbraw/zinc/05/28/04/453052804.db2.gz KHIOMGHXLZMIKZ-CQSZACIVSA-N 2 0 344.463 1.749 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662338641 453056690 /nfs/dbraw/zinc/05/66/90/453056690.db2.gz NSCGUFCUKVXJGS-CABCVRRESA-N 2 0 332.448 1.746 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000662347664 453063314 /nfs/dbraw/zinc/06/33/14/453063314.db2.gz JADVSADAVWYWFM-KBPBESRZSA-N 2 0 325.478 1.754 20 0 EDADRP [NH3+]CC1(CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000646112622 453118679 /nfs/dbraw/zinc/11/86/79/453118679.db2.gz SJFVYUWRHBSKBW-UHFFFAOYSA-N 2 0 331.460 1.389 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000646138226 453147645 /nfs/dbraw/zinc/14/76/45/453147645.db2.gz GTOPAUTZPGXPGK-INIZCTEOSA-N 2 0 339.867 1.828 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC000646139634 453149099 /nfs/dbraw/zinc/14/90/99/453149099.db2.gz JCOQXBIARLBOKH-VYDXJSESSA-N 2 0 343.537 1.100 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662442785 453150144 /nfs/dbraw/zinc/15/01/44/453150144.db2.gz YFNJCTHWJJHZLE-QZTJIDSGSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000662445654 453152353 /nfs/dbraw/zinc/15/23/53/453152353.db2.gz UHQQWSAOAYRYLL-ZDUSSCGKSA-N 2 0 330.436 1.096 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3c[nH]nc3[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000662461887 453170676 /nfs/dbraw/zinc/17/06/76/453170676.db2.gz FFSBJFRGUROHPZ-PCKAHOCUSA-N 2 0 345.491 1.823 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)ccc1F ZINC000662461941 453170835 /nfs/dbraw/zinc/17/08/35/453170835.db2.gz OTSKHTDTRUZKGJ-CYBMUJFWSA-N 2 0 345.422 1.617 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C(C)C ZINC000666845941 453185491 /nfs/dbraw/zinc/18/54/91/453185491.db2.gz IAIQUXOHEMRAKP-UHFFFAOYSA-N 2 0 334.464 1.709 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000662475561 453189195 /nfs/dbraw/zinc/18/91/95/453189195.db2.gz FSERQWMSBOKDJZ-CRAIPNDOSA-N 2 0 329.444 1.402 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000646186653 453200199 /nfs/dbraw/zinc/20/01/99/453200199.db2.gz DIJZKNQMZSGSMZ-CVEARBPZSA-N 3 0 348.495 1.019 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)C1 ZINC000666923265 453248540 /nfs/dbraw/zinc/24/85/40/453248540.db2.gz HQJDQOVXSUTNNN-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000666926339 453252372 /nfs/dbraw/zinc/25/23/72/453252372.db2.gz NULCFBQXJWMANR-INIZCTEOSA-N 3 0 339.528 1.138 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc1 ZINC000653108587 453292198 /nfs/dbraw/zinc/29/21/98/453292198.db2.gz AROMXVRFJITGND-LPHOPBHVSA-N 2 0 346.519 1.956 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653108774 453293551 /nfs/dbraw/zinc/29/35/51/453293551.db2.gz HGTXWTCXTUOLRF-HKUYNNGSSA-N 2 0 331.460 1.381 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662591530 453318920 /nfs/dbraw/zinc/31/89/20/453318920.db2.gz SVXAWJHVBVTFBS-CABCVRRESA-N 2 0 331.464 1.338 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)cc1 ZINC000653148058 453333486 /nfs/dbraw/zinc/33/34/86/453333486.db2.gz MSTCSQKHNPDMRH-SFHVURJKSA-N 2 0 348.491 1.009 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000651192949 453343797 /nfs/dbraw/zinc/34/37/97/453343797.db2.gz GPHJMSMWXOYZQR-UHFFFAOYSA-N 2 0 328.501 1.062 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000646385542 453359523 /nfs/dbraw/zinc/35/95/23/453359523.db2.gz WQEYRECBOHRAQB-HOTGVXAUSA-N 2 0 330.476 1.874 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000662683605 453403646 /nfs/dbraw/zinc/40/36/46/453403646.db2.gz QPTSGBYWQWBPDA-QGZVFWFLSA-N 2 0 331.460 1.970 20 0 EDADRP C[NH+]1CCC(CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662698514 453417790 /nfs/dbraw/zinc/41/77/90/453417790.db2.gz RKPAQNCRANAFJV-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662698895 453420071 /nfs/dbraw/zinc/42/00/71/453420071.db2.gz SNGRSDVCVZMDHX-RTBURBONSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662699526 453420354 /nfs/dbraw/zinc/42/03/54/453420354.db2.gz BMKLBSXCFVRUFI-IXDOHACOSA-N 2 0 336.524 1.392 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709516 453432430 /nfs/dbraw/zinc/43/24/30/453432430.db2.gz SLXRCDLAQUQZOL-IAGOWNOFSA-N 2 0 335.423 1.238 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000667151811 453441475 /nfs/dbraw/zinc/44/14/75/453441475.db2.gz XGKGVAGJCSTVAJ-UHFFFAOYSA-N 2 0 348.495 1.688 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000653260488 453442621 /nfs/dbraw/zinc/44/26/21/453442621.db2.gz HMTNDHQXMYOVSU-WKULXVSPSA-N 2 0 335.492 1.510 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N(CC[NH3+])CCc2ccccc2)cn1 ZINC000667156084 453444000 /nfs/dbraw/zinc/44/40/00/453444000.db2.gz SOLFKUHHGSZKKB-UHFFFAOYSA-N 2 0 344.463 1.480 20 0 EDADRP C[N@H+](CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000662750140 453481996 /nfs/dbraw/zinc/48/19/96/453481996.db2.gz RZNXYIXJAHYQSL-HNNXBMFYSA-N 2 0 347.356 1.916 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000646602804 453505077 /nfs/dbraw/zinc/50/50/77/453505077.db2.gz CTYQUQMBQLUWKI-QMYADUOMSA-N 2 0 347.459 1.344 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660692345 453517897 /nfs/dbraw/zinc/51/78/97/453517897.db2.gz OTYSJQNMMHQKIM-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662785362 453519572 /nfs/dbraw/zinc/51/95/72/453519572.db2.gz OZFQBRCLENVITM-HNNXBMFYSA-N 2 0 326.404 1.448 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703647 453528699 /nfs/dbraw/zinc/52/86/99/453528699.db2.gz FTQKZAMYWDYELU-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662795609 453530674 /nfs/dbraw/zinc/53/06/74/453530674.db2.gz ZGECCAPDMBBJKX-GJZGRUSLSA-N 2 0 334.468 1.149 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000660705600 453533089 /nfs/dbraw/zinc/53/30/89/453533089.db2.gz WFKHQPGZJXUASU-HOTGVXAUSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCOCC1 ZINC000660711095 453540312 /nfs/dbraw/zinc/54/03/12/453540312.db2.gz URHCDEKZJPEXQV-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833561 453559658 /nfs/dbraw/zinc/55/96/58/453559658.db2.gz SEKOITNIQAMXDZ-RCCFBDPRSA-N 2 0 337.508 1.997 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662860704 453576909 /nfs/dbraw/zinc/57/69/09/453576909.db2.gz ULMWNAADZQMGRC-MSOLQXFVSA-N 2 0 347.503 1.894 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000662867196 453579557 /nfs/dbraw/zinc/57/95/57/453579557.db2.gz RUQDEHKJFZYAGR-DWRORGKVSA-N 2 0 329.444 1.257 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000659026200 453587030 /nfs/dbraw/zinc/58/70/30/453587030.db2.gz ZHZGYZKGAJOHLA-KRWDZBQOSA-N 2 0 332.448 1.829 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)[C@H]2C1 ZINC000659038292 453594044 /nfs/dbraw/zinc/59/40/44/453594044.db2.gz OHRXRROWDKBQOZ-JLSDUUJJSA-N 2 0 344.459 1.905 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N(CCN1CCOCC1)CC1CC1 ZINC000662910128 453598491 /nfs/dbraw/zinc/59/84/91/453598491.db2.gz LCGBHJLHRGZZIJ-LJQANCHMSA-N 2 0 343.471 1.272 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659089491 453624745 /nfs/dbraw/zinc/62/47/45/453624745.db2.gz CSNJYSAARQJVAU-UONOGXRCSA-N 2 0 346.475 1.881 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000662972753 453630601 /nfs/dbraw/zinc/63/06/01/453630601.db2.gz LFIZDAAYGSPGSL-SZMVWBNQSA-N 2 0 333.476 1.892 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000663002697 453643617 /nfs/dbraw/zinc/64/36/17/453643617.db2.gz HMFYMPUOTGRDDH-XYTVBORESA-N 2 0 333.476 1.039 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc(C2CC[NH2+]CC2)no1 ZINC000663004579 453644533 /nfs/dbraw/zinc/64/45/33/453644533.db2.gz QFEPRCPIJZMSPK-HNNXBMFYSA-N 2 0 346.475 1.993 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CCn2ccnc2C1 ZINC000661043686 453692668 /nfs/dbraw/zinc/69/26/68/453692668.db2.gz DLCXNNDRIUOOCW-IAGOWNOFSA-N 2 0 339.443 1.772 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000659308489 453709626 /nfs/dbraw/zinc/70/96/26/453709626.db2.gz UIJDHOVLJUNWBD-INIZCTEOSA-N 2 0 325.428 1.468 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000659352958 453725359 /nfs/dbraw/zinc/72/53/59/453725359.db2.gz SMJVUGSBJPFTOX-SZMVWBNQSA-N 2 0 347.459 1.026 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccnn3CC3CC3)CC2)CC1 ZINC000657337707 453768955 /nfs/dbraw/zinc/76/89/55/453768955.db2.gz GSXMORLEBIGOBX-UHFFFAOYSA-N 2 0 331.508 1.941 20 0 EDADRP CC[N@H+](CCOc1ccccc1OC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000663504485 453811806 /nfs/dbraw/zinc/81/18/06/453811806.db2.gz YTTSPYWCPWYJHJ-MRXNPFEDSA-N 2 0 349.475 1.593 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566480860 486711590 /nfs/dbraw/zinc/71/15/90/486711590.db2.gz BHFYGUWMLHPUFC-DLBZAZTESA-N 2 0 330.476 1.585 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414769496 486730909 /nfs/dbraw/zinc/73/09/09/486730909.db2.gz WQUWXEUASZMEOY-ZDUSSCGKSA-N 2 0 332.448 1.117 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271319 486776020 /nfs/dbraw/zinc/77/60/20/486776020.db2.gz HVMJMMJLKYSCIO-MFNRNEDNSA-N 2 0 343.537 1.699 20 0 EDADRP CCc1nn(C)cc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000680483758 486788622 /nfs/dbraw/zinc/78/86/22/486788622.db2.gz QSMIPVIEBHDWPR-UHFFFAOYSA-N 2 0 333.524 1.832 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534953 486799992 /nfs/dbraw/zinc/79/99/92/486799992.db2.gz AYPDANCVLGFSHD-KGLIPLIRSA-N 2 0 326.485 1.445 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417289000 486796700 /nfs/dbraw/zinc/79/67/00/486796700.db2.gz OUXWJCQLIOAISR-USXIJHARSA-N 2 0 340.512 1.645 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672836752 486814240 /nfs/dbraw/zinc/81/42/40/486814240.db2.gz XCTAEJKGJGANEY-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000667521515 486821346 /nfs/dbraw/zinc/82/13/46/486821346.db2.gz URGNOSGVWQQFAK-QGZVFWFLSA-N 2 0 346.475 1.452 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)ccc1C[NH+](C)C ZINC000667538676 486832072 /nfs/dbraw/zinc/83/20/72/486832072.db2.gz JZUWXKWMELSCGQ-YOEHRIQHSA-N 2 0 344.459 1.206 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000667550673 486841149 /nfs/dbraw/zinc/84/11/49/486841149.db2.gz QXMQQZYDELIZDO-GDBMZVCRSA-N 2 0 332.448 1.273 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000681141741 486948800 /nfs/dbraw/zinc/94/88/00/486948800.db2.gz PZUNDDHVQUAIKP-HOTGVXAUSA-N 2 0 343.479 1.339 20 0 EDADRP CC(C)C1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000677090298 486972660 /nfs/dbraw/zinc/97/26/60/486972660.db2.gz PIWPGBZBQGSEOP-UHFFFAOYSA-N 2 0 345.491 1.891 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667804595 486974095 /nfs/dbraw/zinc/97/40/95/486974095.db2.gz GPMHNYUQXGDLSX-UHFFFAOYSA-N 2 0 329.448 1.723 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)n1 ZINC000667835803 486987119 /nfs/dbraw/zinc/98/71/19/486987119.db2.gz GIHUHXGMLNVTOE-UHFFFAOYSA-N 2 0 346.410 1.874 20 0 EDADRP O=C([C@@H]1CCCN1Cc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673677591 487089264 /nfs/dbraw/zinc/08/92/64/487089264.db2.gz HYKLYYKZFMXWKW-HKUYNNGSSA-N 2 0 342.487 1.990 20 0 EDADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673666859 487083366 /nfs/dbraw/zinc/08/33/66/487083366.db2.gz KSBLNFPAAASOIE-QUCCMNQESA-N 2 0 343.471 1.224 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC2CC([NH+]3CCCCC3)C2)cn1 ZINC000684687315 487137744 /nfs/dbraw/zinc/13/77/44/487137744.db2.gz JONHNXHNVKMOPI-UHFFFAOYSA-N 2 0 334.468 1.583 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674289898 487229658 /nfs/dbraw/zinc/22/96/58/487229658.db2.gz UIRDPKBMSGZGRU-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000675624431 487429647 /nfs/dbraw/zinc/42/96/47/487429647.db2.gz QVWJCRAPTNHVNY-HOCLYGCPSA-N 2 0 336.484 1.639 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942717 485476287 /nfs/dbraw/zinc/47/62/87/485476287.db2.gz MFEZOEOXCQWOSF-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000669513493 485478500 /nfs/dbraw/zinc/47/85/00/485478500.db2.gz VBKAODKSEAIPJS-RHSMWYFYSA-N 2 0 338.496 1.541 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000669550939 485544488 /nfs/dbraw/zinc/54/44/88/485544488.db2.gz MSFUXOJAHAQZNW-UHFFFAOYSA-N 2 0 343.475 1.907 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669573794 485605838 /nfs/dbraw/zinc/60/58/38/485605838.db2.gz YIOOVHDDAXQMTN-RYQLBKOJSA-N 2 0 346.475 1.266 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669587654 485640541 /nfs/dbraw/zinc/64/05/41/485640541.db2.gz WBHATNZOYDOPGF-MRXNPFEDSA-N 2 0 349.479 1.353 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000669121493 485702002 /nfs/dbraw/zinc/70/20/02/485702002.db2.gz FQAPVTSBTPCSMR-GJZGRUSLSA-N 2 0 346.475 1.314 20 0 EDADRP C[C@@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000672947045 485742113 /nfs/dbraw/zinc/74/21/13/485742113.db2.gz RKRFQPGPNNZBMN-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000669198505 485800335 /nfs/dbraw/zinc/80/03/35/485800335.db2.gz DJGAIXDYSSYEHF-MAUKXSAKSA-N 2 0 346.475 1.540 20 0 EDADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342785006 485918700 /nfs/dbraw/zinc/91/87/00/485918700.db2.gz LJZPYHAUXNHLGE-VEHMJYNQSA-N 2 0 349.519 1.817 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCCC2)cc1 ZINC000668592648 485928443 /nfs/dbraw/zinc/92/84/43/485928443.db2.gz KOGRUZYWUQXKPB-YATRRXNKSA-N 2 0 332.448 1.646 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NCC[NH2+]C1CC1 ZINC000669349120 485998273 /nfs/dbraw/zinc/99/82/73/485998273.db2.gz SWPMSJLEQKSSAY-UHFFFAOYSA-N 2 0 345.491 1.250 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388797 486024389 /nfs/dbraw/zinc/02/43/89/486024389.db2.gz QLHBNOZVFVVXAR-SJORKVTESA-N 2 0 340.512 1.376 20 0 EDADRP CC(C)(CNC(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000669389288 486024952 /nfs/dbraw/zinc/02/49/52/486024952.db2.gz USBBBYLWRCJDLH-UHFFFAOYSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669406515 486080964 /nfs/dbraw/zinc/08/09/64/486080964.db2.gz UMENZPBDUBHKBM-ILXRZTDVSA-N 2 0 326.485 1.255 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@H](C)C1 ZINC000668817905 486225811 /nfs/dbraw/zinc/22/58/11/486225811.db2.gz BYTBHKKWQMEUAH-OAGGEKHMSA-N 2 0 348.491 1.768 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000669479688 486241034 /nfs/dbraw/zinc/24/10/34/486241034.db2.gz JEONGWNKLMVQRO-HLLBOEOZSA-N 2 0 348.491 1.873 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484316 486249898 /nfs/dbraw/zinc/24/98/98/486249898.db2.gz QHTGBKNXRLOLKJ-OAHLLOKOSA-N 2 0 337.512 1.116 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491292 486263744 /nfs/dbraw/zinc/26/37/44/486263744.db2.gz SYPBIIBIKNQTLO-GOSISDBHSA-N 2 0 330.476 1.684 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669491343 486263830 /nfs/dbraw/zinc/26/38/30/486263830.db2.gz WBXISBVEENIEDG-OKZBNKHCSA-N 2 0 334.508 1.892 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000167269339 486458289 /nfs/dbraw/zinc/45/82/89/486458289.db2.gz XBTFTYCSWJKPMU-GOSISDBHSA-N 2 0 331.460 1.491 20 0 EDADRP CCc1nn(C)cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000092395728 491203322 /nfs/dbraw/zinc/20/33/22/491203322.db2.gz UTDPHOABLAGIJU-UHFFFAOYSA-N 2 0 343.475 1.564 20 0 EDADRP C[N@H+](CCN1CCOCC1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092974979 491205268 /nfs/dbraw/zinc/20/52/68/491205268.db2.gz JZDNLSDPWFDUQU-UHFFFAOYSA-N 2 0 347.503 1.925 20 0 EDADRP C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)[C@@H]1CN(C)CCO1 ZINC000133082789 491219679 /nfs/dbraw/zinc/21/96/79/491219679.db2.gz YUHPCTOJSCIFKY-HOCLYGCPSA-N 2 0 347.463 1.200 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000080098862 491170448 /nfs/dbraw/zinc/17/04/48/491170448.db2.gz QBZHNDAUMSIHJN-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP COC1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[NH2+]CC1 ZINC000262897197 536541979 /nfs/dbraw/zinc/54/19/79/536541979.db2.gz BACMOSBVAAKHFV-UHFFFAOYSA-N 2 0 331.338 1.871 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262266183 535067542 /nfs/dbraw/zinc/06/75/42/535067542.db2.gz MPUHBXZWFXOUNR-UHFFFAOYSA-N 2 0 333.480 1.198 20 0 EDADRP CC(C)([NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262660674 535196362 /nfs/dbraw/zinc/19/63/62/535196362.db2.gz XLAKWHYNGUKKCZ-UHFFFAOYSA-N 2 0 332.492 1.438 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346130972 535207093 /nfs/dbraw/zinc/20/70/93/535207093.db2.gz ACFYDHZLDFGJBD-BRWVUGGUSA-N 2 0 325.497 1.580 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)CS(C)(=O)=O)cc1 ZINC000271714974 535554095 /nfs/dbraw/zinc/55/40/95/535554095.db2.gz OYHFBQAZLZYNJM-HNNXBMFYSA-N 2 0 342.505 1.930 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262389837 535555973 /nfs/dbraw/zinc/55/59/73/535555973.db2.gz OCQZSSWTFJOCFN-QGZVFWFLSA-N 2 0 349.475 1.402 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236970690 535654107 /nfs/dbraw/zinc/65/41/07/535654107.db2.gz VACOOPWKULUBFO-SJLPKXTDSA-N 2 0 332.492 1.294 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000264028486 535761286 /nfs/dbraw/zinc/76/12/86/535761286.db2.gz LUICNWQTRMTWTR-SFHVURJKSA-N 2 0 333.476 1.906 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340173029 535871488 /nfs/dbraw/zinc/87/14/88/535871488.db2.gz FGZLUEJDUHXNAG-UHFFFAOYSA-N 2 0 345.553 1.205 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347674474 535999524 /nfs/dbraw/zinc/99/95/24/535999524.db2.gz RQRYLFKSNCEYOX-UHFFFAOYSA-N 2 0 338.411 1.703 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1N1CCCC1 ZINC000262002011 536304449 /nfs/dbraw/zinc/30/44/49/536304449.db2.gz DRBFLAYLUQHRBA-UHFFFAOYSA-N 2 0 330.476 1.541 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262428294 536345258 /nfs/dbraw/zinc/34/52/58/536345258.db2.gz SPUVGXAHXCYWHX-OAHLLOKOSA-N 2 0 332.448 1.510 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)CC[N@H+](C)C2CC2)CC1 ZINC000353067198 536748985 /nfs/dbraw/zinc/74/89/85/536748985.db2.gz NOYDIPKPYBEQBS-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000333697136 536893288 /nfs/dbraw/zinc/89/32/88/536893288.db2.gz QIECICMIHBRAKF-XIRDDKMYSA-N 2 0 332.448 1.273 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000727469643 578529634 /nfs/dbraw/zinc/52/96/34/578529634.db2.gz ZLIWRQHJLBMZAA-HOTGVXAUSA-N 2 0 341.496 1.822 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NCc2ccc(-n3ccnc3)nc2)C1 ZINC000731115794 578668179 /nfs/dbraw/zinc/66/81/79/578668179.db2.gz IFIGKAIXCLFMIK-OAHLLOKOSA-N 2 0 328.420 1.408 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000735648553 578908139 /nfs/dbraw/zinc/90/81/39/578908139.db2.gz DZSJOGNFBJOQRR-UHFFFAOYSA-N 2 0 338.540 1.739 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C(=O)OC)C2)[C@@H](C)C1 ZINC000765631613 580146859 /nfs/dbraw/zinc/14/68/59/580146859.db2.gz SVRONHQUYRVLPU-ULQDDVLXSA-N 2 0 341.496 1.944 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[C@@H]2SCCS[C@H]12)CN1CC[NH+](C)CC1 ZINC000775381240 580389745 /nfs/dbraw/zinc/38/97/45/580389745.db2.gz REIZSIVKNMKEOR-LVQVYYBASA-N 2 0 329.579 1.839 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000776513302 580419001 /nfs/dbraw/zinc/41/90/01/580419001.db2.gz MVPLOLDKVKRTQZ-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000776821925 580429653 /nfs/dbraw/zinc/42/96/53/580429653.db2.gz KAWZFKBQFXTKTC-HRCADAONSA-N 2 0 327.469 1.290 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000780208192 580516106 /nfs/dbraw/zinc/51/61/06/580516106.db2.gz JUGYPARYPSBCJK-LSDHHAIUSA-N 2 0 342.553 1.122 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCCOC1 ZINC000793328789 580842218 /nfs/dbraw/zinc/84/22/18/580842218.db2.gz FRAVYHINGGJGSJ-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000891865618 590661483 /nfs/dbraw/zinc/66/14/83/590661483.db2.gz RGJQZZMFAVQWKU-JPEVCHLBSA-N 2 0 348.413 1.828 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891901130 590679593 /nfs/dbraw/zinc/67/95/93/590679593.db2.gz FJBWGKYIYHNNGV-RWMBFGLXSA-N 2 0 338.418 1.885 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000891980156 590722433 /nfs/dbraw/zinc/72/24/33/590722433.db2.gz SIYLSUNJQBILKJ-RHSMWYFYSA-N 2 0 332.448 1.351 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000892060437 590778944 /nfs/dbraw/zinc/77/89/44/590778944.db2.gz PNCHCIQNRJSOCZ-QAPCUYQASA-N 2 0 331.464 1.691 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893328039 590782442 /nfs/dbraw/zinc/78/24/42/590782442.db2.gz RRMOXBCZTMYEJK-CVEARBPZSA-N 2 0 329.460 1.237 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000892091213 590795017 /nfs/dbraw/zinc/79/50/17/590795017.db2.gz DEJNKLIHPDIUHQ-UKRRQHHQSA-N 2 0 349.504 1.432 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000892095939 590795895 /nfs/dbraw/zinc/79/58/95/590795895.db2.gz ZBWKZMULPBZVLU-RYQLBKOJSA-N 2 0 330.476 1.867 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117958 590808483 /nfs/dbraw/zinc/80/84/83/590808483.db2.gz BAZBWUNVSJLNDL-DOTOQJQBSA-N 2 0 330.476 1.951 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000893398226 590842892 /nfs/dbraw/zinc/84/28/92/590842892.db2.gz HXNIXWZMUZNKMY-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000892191929 590857740 /nfs/dbraw/zinc/85/77/40/590857740.db2.gz SYPSPJFDQMAWMB-XOKHGSTOSA-N 2 0 328.460 1.520 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)C2CC3CC(C2)CC1C3 ZINC000892191780 590857952 /nfs/dbraw/zinc/85/79/52/590857952.db2.gz RRZCNGAPTBJCES-KSHZJZJQSA-N 2 0 332.492 1.724 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892225913 590874197 /nfs/dbraw/zinc/87/41/97/590874197.db2.gz APGKASMDTFZFLD-UHFFFAOYSA-N 2 0 345.472 1.589 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892255300 590889658 /nfs/dbraw/zinc/88/96/58/590889658.db2.gz DUDXBSWFFDKQLA-XSLAGTTESA-N 2 0 346.450 1.807 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892281027 590910999 /nfs/dbraw/zinc/91/09/99/590910999.db2.gz FCGUFWYGMJFGRS-DOTOQJQBSA-N 2 0 340.512 1.552 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000892329029 590952104 /nfs/dbraw/zinc/95/21/04/590952104.db2.gz BBTNZQJXQQBJTO-CRAIPNDOSA-N 2 0 342.487 1.863 20 0 EDADRP COCCOC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000892397660 591010549 /nfs/dbraw/zinc/01/05/49/591010549.db2.gz OJZJVVLZGVYIHZ-MRXNPFEDSA-N 2 0 336.476 1.784 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000893620507 591013591 /nfs/dbraw/zinc/01/35/91/591013591.db2.gz CRUFBLRRRHHULD-KANFNMMFSA-N 2 0 342.487 1.852 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000892430909 591025567 /nfs/dbraw/zinc/02/55/67/591025567.db2.gz QEKQQHOTYICSAF-QGPMSJSTSA-N 2 0 346.475 1.869 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000892457717 591034131 /nfs/dbraw/zinc/03/41/31/591034131.db2.gz MOSFPQGKGNUMHR-URSIVYNOSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000892484355 591044176 /nfs/dbraw/zinc/04/41/76/591044176.db2.gz HWJSIWROSYQURA-GJZGRUSLSA-N 2 0 340.512 1.251 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891346706 591052449 /nfs/dbraw/zinc/05/24/49/591052449.db2.gz CCSMEAUIKMHBKO-IEBWSBKVSA-N 2 0 328.460 1.629 20 0 EDADRP CC[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000891349500 591054338 /nfs/dbraw/zinc/05/43/38/591054338.db2.gz XLQJKCURBLJUNV-BMGDILEWSA-N 2 0 330.476 1.954 20 0 EDADRP CN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000893742929 591072933 /nfs/dbraw/zinc/07/29/33/591072933.db2.gz MZYCROINRMLWMW-GVDBMIGSSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000893868434 591121216 /nfs/dbraw/zinc/12/12/16/591121216.db2.gz XTRXAKVIABULNW-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000892685905 591130134 /nfs/dbraw/zinc/13/01/34/591130134.db2.gz DSPHOKSPCNCHAA-UHFFFAOYSA-N 2 0 342.528 1.717 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc2C1 ZINC000891597097 591142089 /nfs/dbraw/zinc/14/20/89/591142089.db2.gz JFFAEVZVJGSGRL-CALCHBBNSA-N 2 0 328.460 1.231 20 0 EDADRP F[C@@H]1CC2(CC[C@H]1[NH+]1CCC(C[NH+]3CCOCC3)CC1)OCCO2 ZINC000891610712 591148236 /nfs/dbraw/zinc/14/82/36/591148236.db2.gz CJWWMSGPDSODHD-IAGOWNOFSA-N 2 0 342.455 1.664 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891634153 591160033 /nfs/dbraw/zinc/16/00/33/591160033.db2.gz MRSQZCDXXUAIOU-SJLPKXTDSA-N 2 0 338.496 1.460 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891634154 591160198 /nfs/dbraw/zinc/16/01/98/591160198.db2.gz MRSQZCDXXUAIOU-WMZOPIPTSA-N 2 0 338.496 1.460 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892754796 591160960 /nfs/dbraw/zinc/16/09/60/591160960.db2.gz BZOIITYBDAHNNQ-LSDHHAIUSA-N 2 0 338.496 1.317 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892776094 591171545 /nfs/dbraw/zinc/17/15/45/591171545.db2.gz MRHBUDUFZQPEGV-JKSUJKDBSA-N 2 0 338.496 1.317 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000891694393 591187904 /nfs/dbraw/zinc/18/79/04/591187904.db2.gz MVAMEOFIYBFYOK-HYVNUMGLSA-N 2 0 338.496 1.277 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000891728658 591201301 /nfs/dbraw/zinc/20/13/01/591201301.db2.gz MUZYDHMGSQXQAH-GJZGRUSLSA-N 2 0 328.501 1.563 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]cc2CO)CC1 ZINC000892851540 591203835 /nfs/dbraw/zinc/20/38/35/591203835.db2.gz LRRCZBVMLDBLBF-UHFFFAOYSA-N 2 0 334.464 1.034 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892878641 591211361 /nfs/dbraw/zinc/21/13/61/591211361.db2.gz ADTCRPOPUPEXFX-GXTWGEPZSA-N 2 0 349.504 1.639 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000892923841 591226770 /nfs/dbraw/zinc/22/67/70/591226770.db2.gz NRGHEPNIPLNLEK-OAHLLOKOSA-N 2 0 326.485 1.352 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2)CN1CC[NH+](C)CC1 ZINC000892930003 591228623 /nfs/dbraw/zinc/22/86/23/591228623.db2.gz ZCURUBSJIFSXOA-PMPSAXMXSA-N 2 0 329.460 1.093 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2csc(C(=O)OC)c2)CC1 ZINC000894237736 591240513 /nfs/dbraw/zinc/24/05/13/591240513.db2.gz NETSKNSCVOTUNA-CQSZACIVSA-N 2 0 339.505 1.898 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000894346230 591285239 /nfs/dbraw/zinc/28/52/39/591285239.db2.gz STPGMAVUNWPYIL-ROUUACIJSA-N 2 0 330.476 1.636 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)CCC(F)(F)F ZINC000894428821 591309756 /nfs/dbraw/zinc/30/97/56/591309756.db2.gz SGBCBQQCBYBSLP-QWHCGFSZSA-N 2 0 336.402 1.606 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000896610332 591547024 /nfs/dbraw/zinc/54/70/24/591547024.db2.gz VTZZZONHAYTGLW-RBSFLKMASA-N 2 0 326.510 1.207 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000897554124 591550801 /nfs/dbraw/zinc/55/08/01/591550801.db2.gz OJIKSEQKRFECPG-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000895463708 591766911 /nfs/dbraw/zinc/76/69/11/591766911.db2.gz BAMFASIJGOAGTP-ROUUACIJSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898120940 591788658 /nfs/dbraw/zinc/78/86/58/591788658.db2.gz DLKZTRFMBNXKNX-XHSDSOJGSA-N 2 0 337.508 1.601 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000895535624 591795015 /nfs/dbraw/zinc/79/50/15/591795015.db2.gz AYYMHRYZQJPWQB-QGZVFWFLSA-N 2 0 340.508 1.787 20 0 EDADRP CC[N@H+](CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1CCCCC1 ZINC000898273274 591848893 /nfs/dbraw/zinc/84/88/93/591848893.db2.gz VEZMIVICLAZADK-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900070733 591886578 /nfs/dbraw/zinc/88/65/78/591886578.db2.gz BNWJFYZQRRFSBE-LJQANCHMSA-N 2 0 346.475 1.224 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000900240005 591952021 /nfs/dbraw/zinc/95/20/21/591952021.db2.gz IDRWYDJZRWTKST-ROUUACIJSA-N 2 0 336.524 1.536 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900227442 591955952 /nfs/dbraw/zinc/95/59/52/591955952.db2.gz QLEILOJFZCKEAL-ROUUACIJSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+]1CCC2(CC[N@@H+]2C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000899911429 591979619 /nfs/dbraw/zinc/97/96/19/591979619.db2.gz UOSVFWWMAMCWRO-CQSZACIVSA-N 2 0 327.469 1.432 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cn(CC(F)(F)F)c(=O)[nH]c2=O)C1 ZINC000902407356 591987809 /nfs/dbraw/zinc/98/78/09/591987809.db2.gz YMKUMYUNBGYDEG-NSHDSACASA-N 2 0 348.369 1.379 20 0 EDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1CCN(c3cn[nH]c(=O)c3Cl)C1)[NH2+]2 ZINC000902521302 592010495 /nfs/dbraw/zinc/01/04/95/592010495.db2.gz RCEUEAYYUULYJY-NZEXEKPDSA-N 2 0 337.855 1.533 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900410198 592010502 /nfs/dbraw/zinc/01/05/02/592010502.db2.gz QNFALINNEGHPSH-WWDZGPRUSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900487163 592031900 /nfs/dbraw/zinc/03/19/00/592031900.db2.gz XVNPSYWTYAFEEJ-CQSZACIVSA-N 2 0 330.432 1.741 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)CC1 ZINC000902782913 592061980 /nfs/dbraw/zinc/06/19/80/592061980.db2.gz SHPOXMZZEJLTOH-CENDIDJXSA-N 2 0 333.520 1.948 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000900684607 592093347 /nfs/dbraw/zinc/09/33/47/592093347.db2.gz RYXKQBJYXLAGBC-JKSUJKDBSA-N 2 0 341.496 1.354 20 0 EDADRP c1ccc(N2CCN(CCC[NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903061098 592111721 /nfs/dbraw/zinc/11/17/21/592111721.db2.gz AGZSDGFXJYGOIJ-PMACEKPBSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCO[C@]23CCOC3)c1 ZINC000903089451 592118598 /nfs/dbraw/zinc/11/85/98/592118598.db2.gz QMBNZGXMAWTYCT-HKUYNNGSSA-N 2 0 347.459 1.016 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903074213 592119771 /nfs/dbraw/zinc/11/97/71/592119771.db2.gz MWGAHBNLLFWPQZ-UXHICEINSA-N 2 0 345.487 1.472 20 0 EDADRP CCCn1cc([C@H](C)N[C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110693 592121474 /nfs/dbraw/zinc/12/14/74/592121474.db2.gz BSZUROYPAKOKAI-XGAARHLOSA-N 2 0 335.496 1.818 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000900840359 592143720 /nfs/dbraw/zinc/14/37/20/592143720.db2.gz KCNHRIIOWACNFX-UGUYLWEFSA-N 2 0 340.512 1.068 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1OC ZINC000903432601 592168728 /nfs/dbraw/zinc/16/87/28/592168728.db2.gz GHLIGDAUYBWJPM-CABCVRRESA-N 2 0 347.459 1.589 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000903442649 592172618 /nfs/dbraw/zinc/17/26/18/592172618.db2.gz WDAWBJROCYRAJN-FUHWJXTLSA-N 2 0 342.487 1.321 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903445357 592173082 /nfs/dbraw/zinc/17/30/82/592173082.db2.gz IVLHRJTUJQKLQW-MSOLQXFVSA-N 3 0 346.519 1.876 20 0 EDADRP CCOc1ccc(OCC[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903490923 592184432 /nfs/dbraw/zinc/18/44/32/592184432.db2.gz NDCFLIYMQGBJBD-KHYOSLBOSA-N 2 0 348.443 1.676 20 0 EDADRP Cc1ccccc1NC(=O)C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521814 592196771 /nfs/dbraw/zinc/19/67/71/592196771.db2.gz ILUZOMGVBQJWRC-APWZRJJASA-N 2 0 344.459 1.170 20 0 EDADRP COC(=O)c1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903525349 592197935 /nfs/dbraw/zinc/19/79/35/592197935.db2.gz FUBGSIKYFPSIGF-AEFFLSMTSA-N 2 0 345.443 1.210 20 0 EDADRP CCOC(=O)[C@@H]1[C@@H]2CC[N@H+](C[C@@H](C[NH3+])c3ccc(OC)cc3)C[C@@H]21 ZINC000903563518 592211137 /nfs/dbraw/zinc/21/11/37/592211137.db2.gz GIPOAXLDGIQZPP-NRSFXHEJSA-N 2 0 332.444 1.869 20 0 EDADRP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901074273 592224039 /nfs/dbraw/zinc/22/40/39/592224039.db2.gz FHOXEXDMJUAWFD-UYAOXDASSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)[N@H+](C)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904340719 592234299 /nfs/dbraw/zinc/23/42/99/592234299.db2.gz CARDCAJAEONJEL-OFQRWUPVSA-N 2 0 337.489 1.957 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000901105201 592247133 /nfs/dbraw/zinc/24/71/33/592247133.db2.gz DDCQVHMORBRCFO-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C2CN(C)CC[NH+](C)C2)CC1 ZINC000906670515 592251547 /nfs/dbraw/zinc/25/15/47/592251547.db2.gz CRVYQCQQWAJXDL-UHFFFAOYSA-N 2 0 338.540 1.450 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000906679073 592259840 /nfs/dbraw/zinc/25/98/40/592259840.db2.gz SKDQJXOXVYHNKK-HOTGVXAUSA-N 2 0 330.432 1.217 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000906679548 592261148 /nfs/dbraw/zinc/26/11/48/592261148.db2.gz ULEOIWVMLRYOTM-OAHLLOKOSA-N 2 0 346.475 1.808 20 0 EDADRP c1cc(C[NH2+]Cc2ccc3c(c2)OCCO3)c(O[C@H]2CC[NH2+]C2)cn1 ZINC000904458173 592266083 /nfs/dbraw/zinc/26/60/83/592266083.db2.gz VZEISEWPSSUSCJ-INIZCTEOSA-N 2 0 341.411 1.883 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC[C@H]21 ZINC000906658499 592268148 /nfs/dbraw/zinc/26/81/48/592268148.db2.gz INPAGLCYBJBJTP-GOEBONIOSA-N 2 0 330.432 1.027 20 0 EDADRP Cc1ccnc(C2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)n1 ZINC000904473492 592268577 /nfs/dbraw/zinc/26/85/77/592268577.db2.gz SFGNGWRVEGQAGG-HNNXBMFYSA-N 2 0 331.464 1.162 20 0 EDADRP CN(CC(C)(C)CN1CCOCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901189208 592270186 /nfs/dbraw/zinc/27/01/86/592270186.db2.gz XFKOWUPCVQZMIJ-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP Cn1cnc([C@@H]2CN([C@@H]3CC[NH2+][C@@H](c4ccccc4)C3)C[C@H]2[NH3+])c1 ZINC000904484339 592270639 /nfs/dbraw/zinc/27/06/39/592270639.db2.gz GGZAONXMELMMPN-BRSBDYLESA-N 2 0 325.460 1.640 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000904501415 592272321 /nfs/dbraw/zinc/27/23/21/592272321.db2.gz YVKMEBVGASPCQV-IAGOWNOFSA-N 2 0 348.447 1.087 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908034706 592281659 /nfs/dbraw/zinc/28/16/59/592281659.db2.gz GRRMZVKLJHJVNI-FGTMMUONSA-N 2 0 335.492 1.574 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904584099 592287069 /nfs/dbraw/zinc/28/70/69/592287069.db2.gz OGOUJIRIJRLKIM-INIZCTEOSA-N 2 0 334.464 1.801 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000904589350 592287984 /nfs/dbraw/zinc/28/79/84/592287984.db2.gz KKDMCMOVWATINC-UHFFFAOYSA-N 2 0 334.464 1.801 20 0 EDADRP O=S(=O)(CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000903749926 592294678 /nfs/dbraw/zinc/29/46/78/592294678.db2.gz SLDPTWNPEVSXJP-MRXNPFEDSA-N 2 0 337.489 1.750 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740251 592302047 /nfs/dbraw/zinc/30/20/47/592302047.db2.gz FGNJBKLRKXOZFO-KURKYZTESA-N 3 0 325.497 1.188 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)C1 ZINC000903761563 592307347 /nfs/dbraw/zinc/30/73/47/592307347.db2.gz WCWLXYJKIWURCR-KZNAEPCWSA-N 3 0 337.508 1.363 20 0 EDADRP O=C1[C@H]2C[N@H+](C[C@H]3CCCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000903767233 592309638 /nfs/dbraw/zinc/30/96/38/592309638.db2.gz FYCXHDBUNLOUHE-OKZBNKHCSA-N 2 0 341.455 1.493 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C[C@H]([NH3+])C(C)(C)C)n3)c2)CC1 ZINC000904672644 592309636 /nfs/dbraw/zinc/30/96/36/592309636.db2.gz PKILHJMETGJFOM-HNNXBMFYSA-N 2 0 344.463 1.799 20 0 EDADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC(C(C)(C)C[NH3+])CC2)cc1 ZINC000903791159 592316457 /nfs/dbraw/zinc/31/64/57/592316457.db2.gz PHXBBXKYGGJKEW-UHFFFAOYSA-N 2 0 339.505 1.792 20 0 EDADRP COc1ccc(NC(=O)CC[N@@H+]2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903817731 592325523 /nfs/dbraw/zinc/32/55/23/592325523.db2.gz GALZSWVBFKOCBT-UHFFFAOYSA-N 2 0 347.459 1.868 20 0 EDADRP O=C(CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)NC1CCCCC1 ZINC000903892499 592366389 /nfs/dbraw/zinc/36/63/89/592366389.db2.gz TYPPFXXIISIBTK-JLYLLQBASA-N 2 0 348.535 1.584 20 0 EDADRP Cc1cnn(CC2CC[NH+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903904058 592371380 /nfs/dbraw/zinc/37/13/80/592371380.db2.gz ONSDIBIFYJUNOA-GOSISDBHSA-N 2 0 344.507 1.763 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@]2(CO)CCc3ccccc32)cnn1C ZINC000903902929 592372016 /nfs/dbraw/zinc/37/20/16/592372016.db2.gz PSZVDPVBJIXAKQ-DNVCBOLYSA-N 2 0 328.460 1.270 20 0 EDADRP O=C(NCC(F)(F)F)[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903913163 592376184 /nfs/dbraw/zinc/37/61/84/592376184.db2.gz AFQBPFORFYCUKP-CQSZACIVSA-N 2 0 341.377 1.833 20 0 EDADRP Cc1cc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n2ncnc2n1 ZINC000903919257 592377382 /nfs/dbraw/zinc/37/73/82/592377382.db2.gz LJLDBEMOWCHIRS-MQVJKMGUSA-N 2 0 341.463 1.085 20 0 EDADRP Fc1ccc(OCC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000903922830 592378355 /nfs/dbraw/zinc/37/83/55/592378355.db2.gz FSXGVWDRBSCJQR-ZDUSSCGKSA-N 2 0 337.374 1.649 20 0 EDADRP CCCNC(=O)C1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000903925291 592379502 /nfs/dbraw/zinc/37/95/02/592379502.db2.gz DKYJQEFXXSBDQO-OAHLLOKOSA-N 2 0 348.495 1.521 20 0 EDADRP CC(C)CC(=O)N1CCC([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903924900 592379611 /nfs/dbraw/zinc/37/96/11/592379611.db2.gz JSBYXTYOAVZDQZ-MRXNPFEDSA-N 2 0 348.495 1.329 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CNC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000903925284 592379911 /nfs/dbraw/zinc/37/99/11/592379911.db2.gz DHTWVPQJUYANAN-LPHOPBHVSA-N 2 0 329.492 1.738 20 0 EDADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905026997 592385465 /nfs/dbraw/zinc/38/54/65/592385465.db2.gz OXMVHBDLPFRHND-OALUTQOASA-N 2 0 336.476 1.520 20 0 EDADRP CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1OC ZINC000903978795 592400530 /nfs/dbraw/zinc/40/05/30/592400530.db2.gz MMEAFLGMYGYOJN-KHYOSLBOSA-N 2 0 348.443 1.806 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903967511 592402255 /nfs/dbraw/zinc/40/22/55/592402255.db2.gz KDWQNIRSPFUZPS-YCPHGPKFSA-N 2 0 339.480 1.012 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903986453 592406470 /nfs/dbraw/zinc/40/64/70/592406470.db2.gz JYGXNYHVTUGHKE-LRYGQEGESA-N 3 0 336.524 1.570 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)CC1(CO)CCCC1)N1CC[NH+](C)CC1 ZINC000905111182 592411723 /nfs/dbraw/zinc/41/17/23/592411723.db2.gz QKJOJKVLNSJLPJ-MSOLQXFVSA-N 2 0 341.540 1.152 20 0 EDADRP [NH3+]CCCn1ccc(-c2nc([C@@H]3CN4CCCC[C@@H]4CO3)no2)n1 ZINC000904099179 592424953 /nfs/dbraw/zinc/42/49/53/592424953.db2.gz LPQXCEYYUBUMKZ-OCCSQVGLSA-N 2 0 332.408 1.208 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000906972565 592444907 /nfs/dbraw/zinc/44/49/07/592444907.db2.gz OPZYZGMURIGBNP-APWZRJJASA-N 2 0 344.503 1.259 20 0 EDADRP C[C@]1(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244005 592474718 /nfs/dbraw/zinc/47/47/18/592474718.db2.gz OEIZNTACRZHBOR-XUVXKRRUSA-N 2 0 348.487 1.391 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905294938 592487387 /nfs/dbraw/zinc/48/73/87/592487387.db2.gz NAVJRPWOCVBGLM-OALUTQOASA-N 2 0 335.492 1.087 20 0 EDADRP CC1([NH+]2CCCC2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905358432 592506153 /nfs/dbraw/zinc/50/61/53/592506153.db2.gz FECJLERINKLTEH-UHFFFAOYSA-N 2 0 329.510 1.266 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000905496383 592553530 /nfs/dbraw/zinc/55/35/30/592553530.db2.gz SIFFGWKUSAKWPK-DZVNLGKHSA-N 2 0 328.497 1.233 20 0 EDADRP C[C@H]1CN(C(=S)NCC2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC000905522579 592560435 /nfs/dbraw/zinc/56/04/35/592560435.db2.gz JNLFZPJZMPIYKP-HNNXBMFYSA-N 2 0 347.532 1.808 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000905617936 592595285 /nfs/dbraw/zinc/59/52/85/592595285.db2.gz GTQOZHYJVSTLCK-PMACEKPBSA-N 2 0 347.503 1.322 20 0 EDADRP COc1nn(C)cc1C[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000905678275 592609509 /nfs/dbraw/zinc/60/95/09/592609509.db2.gz KBXRCOWGSBWKPU-HNNXBMFYSA-N 2 0 343.431 1.546 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397491 592626595 /nfs/dbraw/zinc/62/65/95/592626595.db2.gz BIZLHLFPDAIBTH-LPHOPBHVSA-N 2 0 344.503 1.117 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000909212607 592771226 /nfs/dbraw/zinc/77/12/26/592771226.db2.gz QCFDHHRPYGUIOW-ADKAHSJRSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907755365 592778832 /nfs/dbraw/zinc/77/88/32/592778832.db2.gz IGUBUOXYTPEWCS-IAGOWNOFSA-N 2 0 325.497 1.726 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000910265463 592813386 /nfs/dbraw/zinc/81/33/86/592813386.db2.gz HNYOMSPFGMLCTB-NXHRZFHOSA-N 2 0 337.508 1.676 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C2(CCOC)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000910266390 592813686 /nfs/dbraw/zinc/81/36/86/592813686.db2.gz MNLFHAVIJGIMAH-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000910281012 592819275 /nfs/dbraw/zinc/81/92/75/592819275.db2.gz GTIQCLIZMNBSGZ-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906644242 592865456 /nfs/dbraw/zinc/86/54/56/592865456.db2.gz IRXCRZBKGNUQDC-UHFFFAOYSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1CC[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000911736442 592993301 /nfs/dbraw/zinc/99/33/01/592993301.db2.gz RGKDSGPCPRUJIF-UAGQMJEPSA-N 2 0 343.475 1.741 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000911788536 593008922 /nfs/dbraw/zinc/00/89/22/593008922.db2.gz ASKMZKAEJRQJCW-ZHALLVOQSA-N 2 0 343.471 1.972 20 0 EDADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911870696 593024649 /nfs/dbraw/zinc/02/46/49/593024649.db2.gz NPRIBEUMVDRMHX-IBGZPJMESA-N 2 0 347.459 1.152 20 0 EDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841097319 593107667 /nfs/dbraw/zinc/10/76/67/593107667.db2.gz KNSXFFSXBPZHTC-DGCLKSJQSA-N 2 0 339.452 1.371 20 0 EDADRP CCOC(=O)CC(C)(C)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000838945305 593237851 /nfs/dbraw/zinc/23/78/51/593237851.db2.gz UVMWCZSMEQFQJD-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ccc(N2C(=O)C[C@H]([N@H+](C)CC3CC[NH+](C)CC3)C2=O)cc1 ZINC000103500554 593343811 /nfs/dbraw/zinc/34/38/11/593343811.db2.gz LADCBKYFDPMJHL-KRWDZBQOSA-N 2 0 329.444 1.901 20 0 EDADRP CC(C)S(=O)(=O)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000817930372 593649871 /nfs/dbraw/zinc/64/98/71/593649871.db2.gz BWKZTHFMYSKMGO-RDJZCZTQSA-N 2 0 338.473 1.655 20 0 EDADRP C[NH+](C)C1CCC([NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819376076 593752356 /nfs/dbraw/zinc/75/23/56/593752356.db2.gz VYCKFIMOCIZLNW-VMBOVVBDSA-N 2 0 340.489 1.586 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000820829310 593899618 /nfs/dbraw/zinc/89/96/18/593899618.db2.gz HQQBMGKPCYMSKA-YPAMNDHTSA-N 2 0 327.494 1.158 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253747 593997947 /nfs/dbraw/zinc/99/79/47/593997947.db2.gz HZILVQHTUDLUIL-YOEHRIQHSA-N 2 0 344.463 1.908 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824412609 594005708 /nfs/dbraw/zinc/00/57/08/594005708.db2.gz BVXUDSJWYFIPFD-CHWSQXEVSA-N 2 0 347.442 1.292 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)c1 ZINC000822803567 594103009 /nfs/dbraw/zinc/10/30/09/594103009.db2.gz NVOGYNCVKREPBA-AWEZNQCLSA-N 2 0 332.404 1.208 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)C1 ZINC000822980789 594131422 /nfs/dbraw/zinc/13/14/22/594131422.db2.gz NHHYQTIKMRIJLZ-CZUORRHYSA-N 2 0 342.447 1.944 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(CC4(C[NH3+])CC4)n3)c2)CC1 ZINC000822980354 594131548 /nfs/dbraw/zinc/13/15/48/594131548.db2.gz HITMCNWUWFXOOQ-UHFFFAOYSA-N 2 0 328.420 1.165 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000825870719 594266218 /nfs/dbraw/zinc/26/62/18/594266218.db2.gz ZVPWFHFYTQOEGQ-UHFFFAOYSA-N 2 0 336.465 1.471 20 0 EDADRP [NH3+][C@H](CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000828757381 594496325 /nfs/dbraw/zinc/49/63/25/594496325.db2.gz XPLDDAOIPLKQTQ-GOSISDBHSA-N 2 0 331.460 1.387 20 0 EDADRP c1sc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1-c1nn[nH]n1 ZINC000826526868 594519813 /nfs/dbraw/zinc/51/98/13/594519813.db2.gz PXRFFPJLPVFPFA-UHFFFAOYSA-N 2 0 348.476 1.472 20 0 EDADRP CC[C@@H](C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[NH+](CC)CC ZINC000829266773 594590101 /nfs/dbraw/zinc/59/01/01/594590101.db2.gz MYHVIEOHUSIOHY-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP CCO[C@H](CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1)C[NH+](C)C ZINC000831720366 594695999 /nfs/dbraw/zinc/69/59/99/594695999.db2.gz ZVKZXGKJEWJIPY-RTBURBONSA-N 2 0 347.503 1.949 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000831880398 594708947 /nfs/dbraw/zinc/70/89/47/594708947.db2.gz DFMBDRDRLCTXCN-IAGOWNOFSA-N 2 0 344.503 1.776 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)cn1 ZINC000832221201 594736438 /nfs/dbraw/zinc/73/64/38/594736438.db2.gz COHHKTFPJAFZOK-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=S)NCC(C)(C)C[NH+](C)C)[C@H]2C1 ZINC000840754235 594814542 /nfs/dbraw/zinc/81/45/42/594814542.db2.gz CDTDWICFCNJRQN-LSDHHAIUSA-N 2 0 342.553 1.244 20 0 EDADRP Cc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cnc1Cl ZINC000841070128 594847077 /nfs/dbraw/zinc/84/70/77/594847077.db2.gz KGGGOZWKYYNMTG-LBPRGKRZSA-N 2 0 336.789 1.969 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000841100402 594851211 /nfs/dbraw/zinc/85/12/11/594851211.db2.gz XOVMZKYBZQQRAD-PKOBYXMFSA-N 2 0 347.459 1.269 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326291 594885505 /nfs/dbraw/zinc/88/55/05/594885505.db2.gz UVAAPAXUTSHJCT-KGLIPLIRSA-N 2 0 348.422 1.456 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841749152 594947566 /nfs/dbraw/zinc/94/75/66/594947566.db2.gz ATUWYHBMRAGOAF-OTWHNJEPSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCCCCC[NH+]2CCCC2)cn1 ZINC000836440598 594963921 /nfs/dbraw/zinc/96/39/21/594963921.db2.gz LIYOLFOHRFHEDJ-UHFFFAOYSA-N 2 0 336.484 1.832 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847023 594964480 /nfs/dbraw/zinc/96/44/80/594964480.db2.gz GNDNGKQBQDLUNM-LRDDRELGSA-N 2 0 331.416 1.532 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCC1 ZINC000841966532 594991356 /nfs/dbraw/zinc/99/13/56/594991356.db2.gz FFHBIXQGHMBRKU-LJQANCHMSA-N 2 0 346.475 1.146 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(CC4([NH3+])CCC4)n3)c2)CC1 ZINC000843210210 595037274 /nfs/dbraw/zinc/03/72/74/595037274.db2.gz VWMACQJHSFSVIX-UHFFFAOYSA-N 2 0 328.420 1.307 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842235445 595047799 /nfs/dbraw/zinc/04/77/99/595047799.db2.gz ZXYVEQKTUDPEBV-UHFFFAOYSA-N 2 0 348.491 1.211 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000843336265 595078638 /nfs/dbraw/zinc/07/86/38/595078638.db2.gz WNFGFLCLSURLLK-SWLSCSKDSA-N 2 0 331.416 1.532 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)CCc1ccccc1 ZINC000843339848 595079689 /nfs/dbraw/zinc/07/96/89/595079689.db2.gz HKYLALPXKMEEEI-OKZBNKHCSA-N 2 0 336.501 1.622 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000843341516 595080752 /nfs/dbraw/zinc/08/07/52/595080752.db2.gz GSSWDJRARXUBGX-MQVJKMGUSA-N 2 0 327.428 1.239 20 0 EDADRP COCCOc1ccc(CNC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1 ZINC000843354657 595085734 /nfs/dbraw/zinc/08/57/34/595085734.db2.gz AOIHRIMMKFWMIZ-UHFFFAOYSA-N 2 0 349.475 1.530 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000843362974 595087739 /nfs/dbraw/zinc/08/77/39/595087739.db2.gz WASJHOARYJXVRB-CVEARBPZSA-N 2 0 339.480 1.300 20 0 EDADRP Cc1cc(=O)oc2cc(OCC[NH+]3CCC(O)(C[NH3+])CC3)ccc12 ZINC000842480540 595116954 /nfs/dbraw/zinc/11/69/54/595116954.db2.gz QAWLMIZXMPSWEQ-UHFFFAOYSA-N 2 0 332.400 1.266 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)C1(C)C ZINC000843457472 595117654 /nfs/dbraw/zinc/11/76/54/595117654.db2.gz PKCXOYHFEMYSFN-RHSMWYFYSA-N 2 0 335.452 1.279 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488919 595127404 /nfs/dbraw/zinc/12/74/04/595127404.db2.gz WJFODVDFTPAUAB-SFHVURJKSA-N 2 0 333.476 1.865 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000844166018 595289003 /nfs/dbraw/zinc/28/90/03/595289003.db2.gz VZYFSNVWXOATHW-HUUCEWRRSA-N 2 0 337.489 1.770 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844169736 595289919 /nfs/dbraw/zinc/28/99/19/595289919.db2.gz QDRQTRYPVPYPDY-SFHVURJKSA-N 2 0 333.476 1.913 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000844170065 595290258 /nfs/dbraw/zinc/29/02/58/595290258.db2.gz GCZRPPJLMSTZHE-MOPGFXCFSA-N 2 0 343.471 1.461 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000844189920 595297411 /nfs/dbraw/zinc/29/74/11/595297411.db2.gz VFNNETVBXUDHQJ-NJAFHUGGSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1F ZINC000844189836 595297417 /nfs/dbraw/zinc/29/74/17/595297417.db2.gz UIQMNGSLOVWLPD-UHFFFAOYSA-N 2 0 345.422 1.801 20 0 EDADRP CC[N@H+](CCCNC(=O)CO[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000846687083 595301959 /nfs/dbraw/zinc/30/19/59/595301959.db2.gz BSUGYFLADKGJCO-QGZVFWFLSA-N 2 0 325.497 1.916 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708892 595304936 /nfs/dbraw/zinc/30/49/36/595304936.db2.gz XLGUHUMVWXOFIU-HZPDHXFCSA-N 2 0 346.475 1.663 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000848395121 595373096 /nfs/dbraw/zinc/37/30/96/595373096.db2.gz YMKVXMQKFNPVSI-UHFFFAOYSA-N 2 0 331.416 1.676 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000848416051 595375297 /nfs/dbraw/zinc/37/52/97/595375297.db2.gz XFRIJKIOFNQLQZ-KXBFYZLASA-N 2 0 328.460 1.767 20 0 EDADRP [NH2+]=C(NCCN1CCOCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849053197 595475667 /nfs/dbraw/zinc/47/56/67/595475667.db2.gz LAYKMYGFDQURFP-UHFFFAOYSA-N 2 0 345.491 1.097 20 0 EDADRP C[NH+](C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CCCCC1 ZINC000849053285 595475690 /nfs/dbraw/zinc/47/56/90/595475690.db2.gz UJUQTYPVCUJCOX-UHFFFAOYSA-N 2 0 325.501 1.087 20 0 EDADRP COc1ccc(NC(=[NH2+])NCC(C)(C)N2CC[NH+](C)CC2)cc1OC ZINC000849055299 595476198 /nfs/dbraw/zinc/47/61/98/595476198.db2.gz ZKORGXPWPZFSTB-UHFFFAOYSA-N 2 0 349.479 1.666 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849088364 595479984 /nfs/dbraw/zinc/47/99/84/595479984.db2.gz GTMVFIOMPNXKGQ-NSHDSACASA-N 2 0 344.506 1.250 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000849095153 595481061 /nfs/dbraw/zinc/48/10/61/595481061.db2.gz YNKGGKQOCYHVTK-HNNXBMFYSA-N 2 0 346.475 1.388 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000852793523 595545454 /nfs/dbraw/zinc/54/54/54/595545454.db2.gz AUYVCSJNYSUEAY-INIZCTEOSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C1CC1 ZINC000849514626 595555172 /nfs/dbraw/zinc/55/51/72/595555172.db2.gz CSHLJLXKBSMATG-KBRIMQKVSA-N 2 0 333.480 1.054 20 0 EDADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520689 595557075 /nfs/dbraw/zinc/55/70/75/595557075.db2.gz OFYANHACQCBSHM-DLBZAZTESA-N 2 0 333.480 1.056 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540940 595559145 /nfs/dbraw/zinc/55/91/45/595559145.db2.gz JWECRIAHAARKOT-BZSNNMDCSA-N 2 0 347.507 1.444 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)=NO1 ZINC000852864213 595584685 /nfs/dbraw/zinc/58/46/85/595584685.db2.gz ZTMGRZNMYAEKOS-OAHLLOKOSA-N 2 0 348.472 1.320 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)C2=NO[C@@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000852867993 595587827 /nfs/dbraw/zinc/58/78/27/595587827.db2.gz KCVRJFUTVOGNOG-GDBMZVCRSA-N 2 0 344.459 1.870 20 0 EDADRP c1n[nH]c2c1CCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000857851295 595632768 /nfs/dbraw/zinc/63/27/68/595632768.db2.gz LZNMDZFCXLHBRF-SFHVURJKSA-N 2 0 340.475 1.984 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccn3)cn2)CC1 ZINC000853099848 595663928 /nfs/dbraw/zinc/66/39/28/595663928.db2.gz VAJQJSPBXQMBIZ-SFHVURJKSA-N 2 0 341.459 1.442 20 0 EDADRP Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c(C)c1 ZINC000853248341 595719294 /nfs/dbraw/zinc/71/92/94/595719294.db2.gz RXGMWAWZWKLFLA-SFHVURJKSA-N 2 0 344.503 1.623 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000861765043 596094782 /nfs/dbraw/zinc/09/47/82/596094782.db2.gz KAZORSKKJNYDBR-ZIAGYGMSSA-N 2 0 334.464 1.038 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857101545 596157969 /nfs/dbraw/zinc/15/79/69/596157969.db2.gz WZNNIALXGQUAIP-SFHVURJKSA-N 2 0 333.476 1.804 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)[C@H](C)C1 ZINC000866570472 596254288 /nfs/dbraw/zinc/25/42/88/596254288.db2.gz MEFDQDIYPUPSCH-CABCVRRESA-N 2 0 349.541 1.028 20 0 EDADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709886 596304319 /nfs/dbraw/zinc/30/43/19/596304319.db2.gz MOVULMPIOMUKOM-NXHRZFHOSA-N 2 0 345.443 1.841 20 0 EDADRP Cc1ccccc1OCCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866709884 596304421 /nfs/dbraw/zinc/30/44/21/596304421.db2.gz MOGQHJXBUACVIB-NUJGCVRESA-N 2 0 345.443 1.631 20 0 EDADRP O=C(CC[NH2+]CC1CC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000870896964 596394001 /nfs/dbraw/zinc/39/40/01/596394001.db2.gz VVFCUXBMGDYVKQ-UHFFFAOYSA-N 2 0 345.487 1.649 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935043 596411378 /nfs/dbraw/zinc/41/13/78/596411378.db2.gz TYQZZRSEDNUKQL-OLZOCXBDSA-N 2 0 326.238 1.659 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC[C@H]2CCCC[NH+](C)C2)cn1 ZINC000862795823 596414590 /nfs/dbraw/zinc/41/45/90/596414590.db2.gz MFIDGMONDGUCAE-NXHRZFHOSA-N 2 0 347.507 1.304 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCC3(CC2)OCCO3)CC1 ZINC000121669112 596416938 /nfs/dbraw/zinc/41/69/38/596416938.db2.gz BSCFKWPHPAJNLK-UHFFFAOYSA-N 2 0 339.480 1.016 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000863239631 596526223 /nfs/dbraw/zinc/52/62/23/596526223.db2.gz HHQJYZBDLKTLBX-UHFFFAOYSA-N 2 0 342.553 1.389 20 0 EDADRP CC(C)(C)OC(=O)N1CCCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863551171 596615174 /nfs/dbraw/zinc/61/51/74/596615174.db2.gz ISMIFAUSNLQHPS-HOTGVXAUSA-N 2 0 341.496 1.822 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000867968413 596638260 /nfs/dbraw/zinc/63/82/60/596638260.db2.gz CNEFZZFVQKJYMF-JIMOISOXSA-N 2 0 326.238 1.563 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H](O)C1 ZINC000865748290 596669229 /nfs/dbraw/zinc/66/92/29/596669229.db2.gz SOVLXHXHKMGTCB-UGUYLWEFSA-N 2 0 339.480 1.573 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2C(=O)CC3)C[C@H]1C[NH+](C)C ZINC000870016685 596708744 /nfs/dbraw/zinc/70/87/44/596708744.db2.gz ULPGXACPZAPNNZ-HZPDHXFCSA-N 2 0 343.471 1.627 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016704 596708940 /nfs/dbraw/zinc/70/89/40/596708940.db2.gz VNEISLOFHJVVAZ-GGGWTEGZSA-N 2 0 325.497 1.244 20 0 EDADRP COCc1cncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870017149 596709586 /nfs/dbraw/zinc/70/95/86/596709586.db2.gz HHMVKFJWSQLFLH-IAGOWNOFSA-N 2 0 334.464 1.039 20 0 EDADRP CO[C@H]1CCC[C@@H](CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018492 596710125 /nfs/dbraw/zinc/71/01/25/596710125.db2.gz BHHXZYORJHJJON-TVFCKZIOSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(C3CC3)c2)C[C@H]1C[NH+](C)C ZINC000870021436 596712197 /nfs/dbraw/zinc/71/21/97/596712197.db2.gz FQUNZDSXYCMBAP-IAGOWNOFSA-N 2 0 330.476 1.770 20 0 EDADRP Cn1ccc2c1cccc2C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022303 596712486 /nfs/dbraw/zinc/71/24/86/596712486.db2.gz RIQBPLUEETVFOE-HZPDHXFCSA-N 2 0 342.487 1.990 20 0 EDADRP Cc1cccc(C)c1NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022212 596712550 /nfs/dbraw/zinc/71/25/50/596712550.db2.gz YPBJUMPPUNOTGM-QZTJIDSGSA-N 2 0 346.519 1.913 20 0 EDADRP C[C@H]1CC[C@H](CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000870022200 596712719 /nfs/dbraw/zinc/71/27/19/596712719.db2.gz YBDSETKYKJRGEY-YLFCFFPRSA-N 2 0 325.497 1.532 20 0 EDADRP C[C@@H](OCc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023065 596713099 /nfs/dbraw/zinc/71/30/99/596713099.db2.gz KIZNSAQVSAKMJW-BHIYHBOVSA-N 2 0 347.503 1.790 20 0 EDADRP Cc1ccc(O[C@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024077 596714009 /nfs/dbraw/zinc/71/40/09/596714009.db2.gz JHVRDUHYRRDVGQ-KZNAEPCWSA-N 2 0 347.503 1.960 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868232218 596737931 /nfs/dbraw/zinc/73/79/31/596737931.db2.gz NAIFWXNJZBIRNI-VVLHAWIVSA-N 2 0 344.459 1.429 20 0 EDADRP Cc1nc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)sc1C ZINC000866041266 596769852 /nfs/dbraw/zinc/76/98/52/596769852.db2.gz QKEZSDZRUMDIBA-ZIAGYGMSSA-N 2 0 339.509 1.963 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000868303801 596778698 /nfs/dbraw/zinc/77/86/98/596778698.db2.gz OUWIYUOBSKUQHC-IYBDPMFKSA-N 2 0 344.459 1.117 20 0 EDADRP CC(C)OC[C@@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000872200207 596832230 /nfs/dbraw/zinc/83/22/30/596832230.db2.gz NNXYTJQRHPRKOT-RBUKOAKNSA-N 2 0 335.492 1.351 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2sc3ccccc3c2=O)C[C@H]1C[NH+](C)C ZINC000872638136 597003663 /nfs/dbraw/zinc/00/36/63/597003663.db2.gz YYEXFBTUMLBZSY-HUUCEWRRSA-N 2 0 348.516 1.692 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000876030760 597069221 /nfs/dbraw/zinc/06/92/21/597069221.db2.gz NQRPUMLYZNPFNU-UHFFFAOYSA-N 2 0 333.480 1.725 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC(C)(C)CO1 ZINC000876330431 597171070 /nfs/dbraw/zinc/17/10/70/597171070.db2.gz ANFWPVCRDNAYQY-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP CCOc1cccc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)n1 ZINC000873219367 597231565 /nfs/dbraw/zinc/23/15/65/597231565.db2.gz YTRLBQGBKHBPGQ-UHFFFAOYSA-N 2 0 338.415 1.810 20 0 EDADRP CC[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cnn(C)c1 ZINC000873247789 597239534 /nfs/dbraw/zinc/23/95/34/597239534.db2.gz UJVYVHOVTRXIPI-QGZVFWFLSA-N 2 0 325.420 1.700 20 0 EDADRP Cc1cccc(CN2CCO[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)c1 ZINC000873267027 597243235 /nfs/dbraw/zinc/24/32/35/597243235.db2.gz VOBZZSBJDMDMKM-RSPOEFSDSA-N 2 0 347.503 1.538 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)n1 ZINC000873308305 597252308 /nfs/dbraw/zinc/25/23/08/597252308.db2.gz IFPNFRNSFYKSAQ-GHMZBOCLSA-N 2 0 348.373 1.046 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[NH+](C)C)c1 ZINC000876708917 597297325 /nfs/dbraw/zinc/29/73/25/597297325.db2.gz DRDGDURQZSGAEH-MJBXVCDLSA-N 2 0 327.375 1.254 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000876739265 597315715 /nfs/dbraw/zinc/31/57/15/597315715.db2.gz BUJAGMMSGYLGCA-IRXDYDNUSA-N 2 0 347.507 1.966 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876741188 597316688 /nfs/dbraw/zinc/31/66/88/597316688.db2.gz VSVVFKUPVAOSSK-ZBTGYSDGSA-N 2 0 331.460 1.799 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876755171 597323712 /nfs/dbraw/zinc/32/37/12/597323712.db2.gz SFWDUGFIDVAZCZ-GJZGRUSLSA-N 2 0 341.402 1.473 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000876768347 597331633 /nfs/dbraw/zinc/33/16/33/597331633.db2.gz HZLRJZKNYFLZPN-BZUAXINKSA-N 2 0 333.480 1.719 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000876772373 597333841 /nfs/dbraw/zinc/33/38/41/597333841.db2.gz BHQPLDAXPSHQGK-LBPRGKRZSA-N 2 0 336.505 1.990 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)/C=C/[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000876781617 597338584 /nfs/dbraw/zinc/33/85/84/597338584.db2.gz PRHXOZWYHHUTNZ-NADMHLTPSA-N 2 0 342.487 1.928 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876789570 597341303 /nfs/dbraw/zinc/34/13/03/597341303.db2.gz ZIZKPKZXRUBXKU-SJORKVTESA-N 2 0 345.491 1.720 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876864982 597362185 /nfs/dbraw/zinc/36/21/85/597362185.db2.gz SXXYLSZXWKFXMM-IACUBPJLSA-N 2 0 327.375 1.032 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876887214 597369818 /nfs/dbraw/zinc/36/98/18/597369818.db2.gz OMHUDIUEUPNYBV-OTUKTJHOSA-N 2 0 328.460 1.826 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876964861 597399818 /nfs/dbraw/zinc/39/98/18/597399818.db2.gz TWHTUDXTAWRGQD-QSPRXWTASA-N 2 0 335.423 1.205 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000875382181 597407666 /nfs/dbraw/zinc/40/76/66/597407666.db2.gz OQWIEWFBBLQYBZ-DJIMGWMZSA-N 2 0 340.512 1.182 20 0 EDADRP CCOC(=O)N[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(C)C ZINC000877199341 597459405 /nfs/dbraw/zinc/45/94/05/597459405.db2.gz NYOKHRGHSZWALS-OAHLLOKOSA-N 2 0 349.435 1.200 20 0 EDADRP COC[C@@]1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC[NH2+]C1 ZINC000877224140 597466297 /nfs/dbraw/zinc/46/62/97/597466297.db2.gz FJWFFXZNLCRQHX-HXUWFJFHSA-N 2 0 345.487 1.392 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000877231568 597470770 /nfs/dbraw/zinc/47/07/70/597470770.db2.gz OIBMEPNZCFUCPD-DLBZAZTESA-N 2 0 333.476 1.685 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H](C[NH3+])c3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877236041 597473474 /nfs/dbraw/zinc/47/34/74/597473474.db2.gz UOJOWDPLCDISMP-CEXWTWQISA-N 2 0 339.439 1.691 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877274753 597485108 /nfs/dbraw/zinc/48/51/08/597485108.db2.gz XXISXDLGRVUBBB-KGLIPLIRSA-N 2 0 334.489 1.885 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877285336 597486838 /nfs/dbraw/zinc/48/68/38/597486838.db2.gz ZLZZZSBKXFLXLI-SQNIBIBYSA-N 2 0 328.460 1.647 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)ccc21 ZINC000877288120 597487596 /nfs/dbraw/zinc/48/75/96/597487596.db2.gz NPXZVSQODAFBCK-SJLPKXTDSA-N 2 0 326.444 1.957 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H](S(C)(=O)=O)C2)cc1 ZINC000883379369 597728494 /nfs/dbraw/zinc/72/84/94/597728494.db2.gz YQGSIKNGSZTJNG-KOMQPUFPSA-N 2 0 326.462 1.292 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883400564 597732120 /nfs/dbraw/zinc/73/21/20/597732120.db2.gz PSVGXTFGZRKMCL-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc4[nH]c(=O)[nH]c4c3)C2)CC1 ZINC000878867821 597739384 /nfs/dbraw/zinc/73/93/84/597739384.db2.gz WZJWZASYJGGGCC-UHFFFAOYSA-N 2 0 343.431 1.625 20 0 EDADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000883438089 597746553 /nfs/dbraw/zinc/74/65/53/597746553.db2.gz KGCCEACRMZQPQJ-MSOLQXFVSA-N 2 0 338.492 1.805 20 0 EDADRP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@@H](O)Cn1cccn1)C2 ZINC000880021051 597812366 /nfs/dbraw/zinc/81/23/66/597812366.db2.gz WTDQDILFNLLJPG-AQNXPRMDSA-N 2 0 340.471 1.698 20 0 EDADRP [NH3+]C1(CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000883586042 597814188 /nfs/dbraw/zinc/81/41/88/597814188.db2.gz DHAZYOMTFCVYOC-KRWDZBQOSA-N 2 0 343.475 1.974 20 0 EDADRP COCC[N@H+](C[C@@H](O)CC1(O)CCCC1)CC1CC[NH+](C)CC1 ZINC000879125525 597826837 /nfs/dbraw/zinc/82/68/37/597826837.db2.gz DGNGZNIVFJDDNV-KRWDZBQOSA-N 2 0 328.497 1.333 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000883616807 597830998 /nfs/dbraw/zinc/83/09/98/597830998.db2.gz TXAJBRNMHITSKY-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CCC1 ZINC000883636267 597840373 /nfs/dbraw/zinc/84/03/73/597840373.db2.gz NQMXKBKDIAURPX-INIZCTEOSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000879221277 597855086 /nfs/dbraw/zinc/85/50/86/597855086.db2.gz KECMNKMERUIMNS-KFWWJZLASA-N 2 0 327.469 1.431 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000884185862 598018622 /nfs/dbraw/zinc/01/86/22/598018622.db2.gz JULPTLXQASQXKM-YJBOKZPZSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884254880 598044847 /nfs/dbraw/zinc/04/48/47/598044847.db2.gz UJGWKRCFTJXXHQ-JIMOISOXSA-N 2 0 326.238 1.563 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000884299510 598058267 /nfs/dbraw/zinc/05/82/67/598058267.db2.gz VUWKJPDZJMSMEN-UAGQMJEPSA-N 2 0 333.451 1.881 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3C[C@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365402 598082394 /nfs/dbraw/zinc/08/23/94/598082394.db2.gz INXIVAHXQLXKKX-GJZGRUSLSA-N 2 0 345.447 1.159 20 0 EDADRP CN(C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@H]1C[NH+]2CCC1CC2 ZINC000884452979 598109515 /nfs/dbraw/zinc/10/95/15/598109515.db2.gz BRLQFOSTZGOWSR-SJORKVTESA-N 2 0 327.428 1.855 20 0 EDADRP Cc1cn(C(C)(C)C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000884463324 598112577 /nfs/dbraw/zinc/11/25/77/598112577.db2.gz CSOLROULDQVDGB-UHFFFAOYSA-N 2 0 328.420 1.370 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001015723871 696711176 /nfs/dbraw/zinc/71/11/76/696711176.db2.gz XSGLBMNAOWUISD-QJPTWQEYSA-N 2 0 330.354 1.667 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000914190024 695266165 /nfs/dbraw/zinc/26/61/65/695266165.db2.gz HBTRBFJSJMHMRN-HNNXBMFYSA-N 2 0 330.476 1.827 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914219623 695283336 /nfs/dbraw/zinc/28/33/36/695283336.db2.gz YQJOUVPWDJLNEY-ZJIFWQFVSA-N 2 0 338.521 1.492 20 0 EDADRP CCO[C@@H](CNC(=O)NC1CC[NH+](CC2CC2)CC1)C[NH+](C)C ZINC000914248753 695310615 /nfs/dbraw/zinc/31/06/15/695310615.db2.gz XEMHRWGVVDXQHX-INIZCTEOSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914411088 695392423 /nfs/dbraw/zinc/39/24/23/695392423.db2.gz DMMNKNCCUKCMOA-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)cn1 ZINC000992906615 695443968 /nfs/dbraw/zinc/44/39/68/695443968.db2.gz MSLUNBNSYGZFSG-FGTMMUONSA-N 2 0 345.491 1.233 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ccon2)C1)C12CCC[NH+]1CCC2 ZINC000995018413 700010256 /nfs/dbraw/zinc/01/02/56/700010256.db2.gz ZPARQQRZNNDYAJ-HUUCEWRRSA-N 2 0 332.448 1.678 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993505246 696184369 /nfs/dbraw/zinc/18/43/69/696184369.db2.gz UBNVHILIPFOBFG-RHSMWYFYSA-N 2 0 330.432 1.872 20 0 EDADRP C[C@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCn1cccn1 ZINC000993527437 696206231 /nfs/dbraw/zinc/20/62/31/696206231.db2.gz JBJVRGDFROHQTA-DLBZAZTESA-N 2 0 345.491 1.481 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@@H+]1CC1CCC1 ZINC000993990145 696484185 /nfs/dbraw/zinc/48/41/85/696484185.db2.gz QUSMHSAQTKOZLB-CRAIPNDOSA-N 2 0 347.507 1.828 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000916119031 696623199 /nfs/dbraw/zinc/62/31/99/696623199.db2.gz FKMLZNGLYUFLGM-CYBMUJFWSA-N 2 0 326.535 1.911 20 0 EDADRP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444350665 696880560 /nfs/dbraw/zinc/88/05/60/696880560.db2.gz HXLOWKOABVITJJ-WBVHZDCISA-N 2 0 325.497 1.553 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)/C=C\Cl)C2)CC1 ZINC000918906686 697222585 /nfs/dbraw/zinc/22/25/85/697222585.db2.gz QNTVZMSWVDOMOU-MEJMFZKBSA-N 2 0 328.888 1.985 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3ccncc3Cl)C2)CC[N@@H+]1C ZINC001031681418 697504585 /nfs/dbraw/zinc/50/45/85/697504585.db2.gz QVCLEHPHRCRNTE-IUODEOHRSA-N 2 0 336.867 1.623 20 0 EDADRP Cc1cc(N2CCC(NC(=O)NCC3([NH+](C)C)CC3)CC2)nc(C)n1 ZINC000921339658 697561525 /nfs/dbraw/zinc/56/15/25/697561525.db2.gz JDSBCIAJZHIRNF-UHFFFAOYSA-N 2 0 346.479 1.456 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000940110432 700223742 /nfs/dbraw/zinc/22/37/42/700223742.db2.gz YLRZITMUDKQHAU-HNNXBMFYSA-N 2 0 349.479 1.722 20 0 EDADRP C[C@@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943514488 698428141 /nfs/dbraw/zinc/42/81/41/698428141.db2.gz DCNCRJDLSOQPOA-GDBMZVCRSA-N 2 0 339.459 1.245 20 0 EDADRP CC1([NH2+]Cc2nncs2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115630 700231052 /nfs/dbraw/zinc/23/10/52/700231052.db2.gz PNDLYOBHXJJWOG-AWEZNQCLSA-N 2 0 349.504 1.351 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000354405454 698762387 /nfs/dbraw/zinc/76/23/87/698762387.db2.gz NWWSEVXZHNKDFL-RBUKOAKNSA-N 2 0 345.487 1.876 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000940124013 700257403 /nfs/dbraw/zinc/25/74/03/700257403.db2.gz VCTVPHNDOFECLO-DLBZAZTESA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941475323 701551336 /nfs/dbraw/zinc/55/13/36/701551336.db2.gz QLXVQBMOZCIMPX-UHFFFAOYSA-N 2 0 341.459 1.432 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000446278572 699049327 /nfs/dbraw/zinc/04/93/27/699049327.db2.gz WXISNNDJYHZJMN-ZFWWWQNUSA-N 2 0 339.443 1.621 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939063198 699106153 /nfs/dbraw/zinc/10/61/53/699106153.db2.gz BSSFEXHUDCKROQ-FZKQIMNGSA-N 2 0 346.475 1.830 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939063548 699130350 /nfs/dbraw/zinc/13/03/50/699130350.db2.gz IGFIAVQCXQXRMK-SUMWQHHRSA-N 2 0 331.464 1.063 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031776186 699152845 /nfs/dbraw/zinc/15/28/45/699152845.db2.gz GSRLLVZALLSJBX-IBGZPJMESA-N 2 0 343.471 1.749 20 0 EDADRP COCc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C)cc1 ZINC000939213870 699363926 /nfs/dbraw/zinc/36/39/26/699363926.db2.gz GPRVTCDVGQPQLU-KSSFIOAISA-N 2 0 342.443 1.735 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939394103 699544509 /nfs/dbraw/zinc/54/45/09/699544509.db2.gz AOZRTWKQQRFOGO-YJBOKZPZSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939423467 699559158 /nfs/dbraw/zinc/55/91/58/699559158.db2.gz QFGDNIALXVBGTL-QAPCUYQASA-N 2 0 346.475 1.129 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC000939453618 699599881 /nfs/dbraw/zinc/59/98/81/699599881.db2.gz KSKYVPOCUVYSOW-CRAIPNDOSA-N 2 0 347.507 1.477 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939544302 699685804 /nfs/dbraw/zinc/68/58/04/699685804.db2.gz JFVZGIGHCPMIRQ-CZUORRHYSA-N 2 0 332.423 1.253 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939550337 699699294 /nfs/dbraw/zinc/69/92/94/699699294.db2.gz IQZOFCQCOBFVOY-SWLSCSKDSA-N 2 0 343.431 1.694 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754134 699904208 /nfs/dbraw/zinc/90/42/08/699904208.db2.gz LFBZKKZCCBNERO-BLLLJJGKSA-N 2 0 336.505 1.792 20 0 EDADRP CCCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939756324 699922815 /nfs/dbraw/zinc/92/28/15/699922815.db2.gz TUPSKRSYQMRMHU-ZBFHGGJFSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939757629 699924746 /nfs/dbraw/zinc/92/47/46/699924746.db2.gz ZFTDMGPNURJXMY-KBXCAEBGSA-N 2 0 349.450 1.350 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940141779 700269463 /nfs/dbraw/zinc/26/94/63/700269463.db2.gz GGQKAJVXFCHUGC-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000940144792 700274791 /nfs/dbraw/zinc/27/47/91/700274791.db2.gz OBFOXRDCPULYLU-UHFFFAOYSA-N 2 0 344.463 1.555 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2snnc2C)CC1)[NH+](C)C ZINC000940176369 700308897 /nfs/dbraw/zinc/30/88/97/700308897.db2.gz GRMDZBCYYBFIPI-CYBMUJFWSA-N 2 0 339.509 1.657 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000940179474 700313462 /nfs/dbraw/zinc/31/34/62/700313462.db2.gz VKNGKCHICSUFAR-CQSZACIVSA-N 2 0 334.468 1.068 20 0 EDADRP Cn1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995051113 700378677 /nfs/dbraw/zinc/37/86/77/700378677.db2.gz AXYGNJYSYNQHMA-LSDHHAIUSA-N 2 0 348.495 1.064 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000940296283 700468256 /nfs/dbraw/zinc/46/82/56/700468256.db2.gz IICCVPFFJAOZGP-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)[NH+](C)C ZINC000940306039 700488600 /nfs/dbraw/zinc/48/86/00/700488600.db2.gz HBXMMOKXBBCYJF-MRXNPFEDSA-N 2 0 335.496 1.477 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940327613 700504609 /nfs/dbraw/zinc/50/46/09/700504609.db2.gz KQUYDZREIKGIKV-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329629 700508925 /nfs/dbraw/zinc/50/89/25/700508925.db2.gz WDQXNVQHRRZMSM-GJZGRUSLSA-N 2 0 331.464 1.145 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940329479 700509057 /nfs/dbraw/zinc/50/90/57/700509057.db2.gz UESMSKCISGSYOJ-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940427532 700621548 /nfs/dbraw/zinc/62/15/48/700621548.db2.gz IHCYHMGUZCJQPR-OAHLLOKOSA-N 2 0 346.475 1.768 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076921 700653848 /nfs/dbraw/zinc/65/38/48/700653848.db2.gz FQTLZYYCOFFTMP-RDJZCZTQSA-N 2 0 345.491 1.501 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC000940472075 700657123 /nfs/dbraw/zinc/65/71/23/700657123.db2.gz IMPHYAGLIDOOCK-KBPBESRZSA-N 2 0 349.479 1.722 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457489 700661101 /nfs/dbraw/zinc/66/11/01/700661101.db2.gz HVCPGJNSLZKNFS-OAHLLOKOSA-N 2 0 334.464 1.714 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000940457676 700661429 /nfs/dbraw/zinc/66/14/29/700661429.db2.gz PEFYWOOSZBRZAD-OAHLLOKOSA-N 2 0 345.491 1.252 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000940457789 700661517 /nfs/dbraw/zinc/66/15/17/700661517.db2.gz UUVFKKOMCSEKGG-HNNXBMFYSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1csc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940457825 700661588 /nfs/dbraw/zinc/66/15/88/700661588.db2.gz WQMUIKHRZBOIPW-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940462018 700665677 /nfs/dbraw/zinc/66/56/77/700665677.db2.gz XCIWYRZINVOTRC-OAHLLOKOSA-N 2 0 334.464 1.714 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621642 700782790 /nfs/dbraw/zinc/78/27/90/700782790.db2.gz UWBOULSCIAXZOK-CVEARBPZSA-N 2 0 333.480 1.231 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621654 700782987 /nfs/dbraw/zinc/78/29/87/700782987.db2.gz UWBOULSCIAXZOK-JKSUJKDBSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940990881 701043890 /nfs/dbraw/zinc/04/38/90/701043890.db2.gz CQZSDOIMIRUEIC-UKRRQHHQSA-N 2 0 337.464 1.552 20 0 EDADRP Cn1cncc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003770 701047280 /nfs/dbraw/zinc/04/72/80/701047280.db2.gz ZIEZLHZGBHFDMK-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000941032992 701075176 /nfs/dbraw/zinc/07/51/76/701075176.db2.gz KWQSTMFHCOBTAH-IRXDYDNUSA-N 2 0 347.507 1.584 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941075474 701102804 /nfs/dbraw/zinc/10/28/04/701102804.db2.gz MNZJBVDOWBBQJI-HZPDHXFCSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124165 701181987 /nfs/dbraw/zinc/18/19/87/701181987.db2.gz OFDICAQRZXYMOJ-HOTGVXAUSA-N 2 0 325.497 1.316 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ncccn3)CC2(C)C)C1 ZINC000941163981 701229250 /nfs/dbraw/zinc/22/92/50/701229250.db2.gz RCPDIPZXTZOCHS-HOTGVXAUSA-N 2 0 345.491 1.535 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168494 706596297 /nfs/dbraw/zinc/59/62/97/706596297.db2.gz BQFULBWYEYQKFJ-DLBZAZTESA-N 2 0 332.448 1.405 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169139 706597540 /nfs/dbraw/zinc/59/75/40/706597540.db2.gz ITQYAVQXMSXZJK-FUHWJXTLSA-N 2 0 346.475 1.714 20 0 EDADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215639 701402016 /nfs/dbraw/zinc/40/20/16/701402016.db2.gz YXVPPQYKRRGTSF-QGZVFWFLSA-N 2 0 347.507 1.275 20 0 EDADRP Cc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216140 701402564 /nfs/dbraw/zinc/40/25/64/701402564.db2.gz CJFSEICTXRTJKD-RDJZCZTQSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nccnc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217144 701403269 /nfs/dbraw/zinc/40/32/69/701403269.db2.gz KDWQSKFIHYFSJG-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437004 701540292 /nfs/dbraw/zinc/54/02/92/701540292.db2.gz NZHJHXCZMBFCLJ-CRAIPNDOSA-N 2 0 336.524 1.201 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1C ZINC001031975956 701932438 /nfs/dbraw/zinc/93/24/38/701932438.db2.gz CHODGQXNPIHBNZ-MAUKXSAKSA-N 2 0 345.487 1.749 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191303 706633921 /nfs/dbraw/zinc/63/39/21/706633921.db2.gz XGPVCSYLYDJHLJ-BPQIPLTHSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995835395 702112322 /nfs/dbraw/zinc/11/23/22/702112322.db2.gz WZDHQVKOOUNKLF-DAXOMENPSA-N 2 0 334.464 1.650 20 0 EDADRP CC(=O)Nc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182318 702196238 /nfs/dbraw/zinc/19/62/38/702196238.db2.gz JDJAUWUSDBQQCR-QGZVFWFLSA-N 2 0 344.459 1.145 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995896409 702200607 /nfs/dbraw/zinc/20/06/07/702200607.db2.gz NLJRHUMKZUEBHD-SJORKVTESA-N 2 0 347.507 1.129 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1)C1CC1 ZINC000995900627 702206943 /nfs/dbraw/zinc/20/69/43/702206943.db2.gz YRKDUZCNTHZQPP-IAGOWNOFSA-N 2 0 348.466 1.888 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CC1 ZINC000995902950 702210501 /nfs/dbraw/zinc/21/05/01/702210501.db2.gz ILJIMCXNEBHNSJ-DLBZAZTESA-N 2 0 337.508 1.580 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)C1CCC1 ZINC000995920053 702239958 /nfs/dbraw/zinc/23/99/58/702239958.db2.gz RTOQWZPDUVCKQV-AWEZNQCLSA-N 2 0 337.493 1.349 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2cnns2)C1 ZINC000999223620 706657287 /nfs/dbraw/zinc/65/72/87/706657287.db2.gz MFWSKNMEZQROJT-UHFFFAOYSA-N 2 0 337.493 1.492 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000995965138 702311958 /nfs/dbraw/zinc/31/19/58/702311958.db2.gz IAAUEPDJBXPHPO-SJORKVTESA-N 2 0 349.519 1.726 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC000995207184 702663654 /nfs/dbraw/zinc/66/36/54/702663654.db2.gz DKWYYXGDKKMQPV-UONOGXRCSA-N 2 0 348.476 1.426 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300674 702692681 /nfs/dbraw/zinc/69/26/81/702692681.db2.gz OGSIVBOYNCCKSO-XJKSGUPXSA-N 2 0 334.464 1.794 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2(C)C)n1 ZINC000996301441 702693035 /nfs/dbraw/zinc/69/30/35/702693035.db2.gz SPQHPVQTMCKRRR-WBVHZDCISA-N 2 0 347.507 1.571 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213186 702702373 /nfs/dbraw/zinc/70/23/73/702702373.db2.gz PZXFJTSDKHRWHH-AEFFLSMTSA-N 2 0 330.476 1.860 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213425 702711839 /nfs/dbraw/zinc/71/18/39/702711839.db2.gz QGXYZZLJXFRCKW-NVXWUHKLSA-N 2 0 333.480 1.199 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)on1 ZINC000942256303 702747232 /nfs/dbraw/zinc/74/72/32/702747232.db2.gz DHVOEGOEBQVWOP-YOEHRIQHSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465183 702792519 /nfs/dbraw/zinc/79/25/19/702792519.db2.gz SGOJXQCNBWKETG-SFHVURJKSA-N 2 0 347.507 1.682 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476809 702808678 /nfs/dbraw/zinc/80/86/78/702808678.db2.gz HMLURSKLUQGUIA-YJBOKZPZSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1 ZINC000996526803 702843175 /nfs/dbraw/zinc/84/31/75/702843175.db2.gz UGPMPVCGRWQOMC-HOTGVXAUSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)sn1 ZINC000996524215 702859444 /nfs/dbraw/zinc/85/94/44/702859444.db2.gz GTTJGRCWSCHWET-OAHLLOKOSA-N 2 0 348.516 1.874 20 0 EDADRP CC1(C)CO[C@H](C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000996560979 702874855 /nfs/dbraw/zinc/87/48/55/702874855.db2.gz MERYMGSDNCIHIB-ROUUACIJSA-N 2 0 349.519 1.724 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996561046 702875304 /nfs/dbraw/zinc/87/53/04/702875304.db2.gz OCHHUHHOZFGSQS-MRXNPFEDSA-N 2 0 341.446 1.954 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1ncccn1 ZINC000996562158 702876251 /nfs/dbraw/zinc/87/62/51/702876251.db2.gz VNVDKGHRSRICNZ-WMLDXEAASA-N 2 0 343.475 1.460 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)c3ncccn3)CC2)CC[N@@H+]1C ZINC000996602949 702912396 /nfs/dbraw/zinc/91/23/96/702912396.db2.gz IZPATTCPXHAFAA-BHYGNILZSA-N 2 0 345.491 1.849 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996614261 702919543 /nfs/dbraw/zinc/91/95/43/702919543.db2.gz MQQNTMZKGVOUNY-HOTGVXAUSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614378 702919709 /nfs/dbraw/zinc/91/97/09/702919709.db2.gz MYEZXRYRISXIJJ-HOCLYGCPSA-N 2 0 333.480 1.007 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000996645277 702947676 /nfs/dbraw/zinc/94/76/76/702947676.db2.gz LDCZAUCDFGPUAN-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000996661479 702958782 /nfs/dbraw/zinc/95/87/82/702958782.db2.gz YMVNYAFWXAZEAX-QGZVFWFLSA-N 2 0 347.507 1.442 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996668452 702965793 /nfs/dbraw/zinc/96/57/93/702965793.db2.gz DCIIPTYCFPGPIG-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C)C(N)=O ZINC000996668668 702966027 /nfs/dbraw/zinc/96/60/27/702966027.db2.gz FHMCTONCYPCKHD-CJNGLKHVSA-N 2 0 346.475 1.062 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000996664741 702967231 /nfs/dbraw/zinc/96/72/31/702967231.db2.gz ILSFPLGYYUOBOI-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996668989 702970323 /nfs/dbraw/zinc/97/03/23/702970323.db2.gz NNISXUZMXPTPLS-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996680911 702979419 /nfs/dbraw/zinc/97/94/19/702979419.db2.gz WMZKDWCXLUVUBT-ABAIWWIYSA-N 2 0 335.452 1.360 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000996689236 702986741 /nfs/dbraw/zinc/98/67/41/702986741.db2.gz KJCOXFOASRSAHK-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000996711807 703006411 /nfs/dbraw/zinc/00/64/11/703006411.db2.gz LDVAVXDFWFIKPV-CQSZACIVSA-N 2 0 334.468 1.103 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996824054 703114375 /nfs/dbraw/zinc/11/43/75/703114375.db2.gz YILXTSKYHLDNDC-IPCDKGFNSA-N 2 0 347.503 1.620 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996947836 703217522 /nfs/dbraw/zinc/21/75/22/703217522.db2.gz XXCGSTIAXHCQOI-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000996980609 703235940 /nfs/dbraw/zinc/23/59/40/703235940.db2.gz SLEOHOULTBTCQK-CZUORRHYSA-N 2 0 336.505 1.954 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996994714 703251320 /nfs/dbraw/zinc/25/13/20/703251320.db2.gz ISBYBNABDDNLEE-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000996995350 703252271 /nfs/dbraw/zinc/25/22/71/703252271.db2.gz OATIYPHXAOCBMQ-OAHLLOKOSA-N 2 0 331.464 1.350 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996997025 703260489 /nfs/dbraw/zinc/26/04/89/703260489.db2.gz DGBOBIHOTWFBNX-HNNXBMFYSA-N 2 0 333.480 1.468 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997007243 703264609 /nfs/dbraw/zinc/26/46/09/703264609.db2.gz PEZVJDJUXIQVTR-ZDUSSCGKSA-N 2 0 346.479 1.105 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000997011101 703270573 /nfs/dbraw/zinc/27/05/73/703270573.db2.gz VJFCIKIHKISJKL-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997013450 703273297 /nfs/dbraw/zinc/27/32/97/703273297.db2.gz ZKFMZFPIRFPUQF-WBVHZDCISA-N 2 0 330.476 1.668 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1)[NH+](C)C ZINC000997014025 703273642 /nfs/dbraw/zinc/27/36/42/703273642.db2.gz FHHOGGARLZJCQL-HNNXBMFYSA-N 2 0 341.887 1.457 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1)[NH+]1CCCCCC1 ZINC000997064031 703308949 /nfs/dbraw/zinc/30/89/49/703308949.db2.gz SJEYDSCYKDGMOD-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000921521339 703350512 /nfs/dbraw/zinc/35/05/12/703350512.db2.gz XUSFDWTYMIOWFK-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](CCOC3CCC3)C2)cc1 ZINC001032052867 703396982 /nfs/dbraw/zinc/39/69/82/703396982.db2.gz FMZFSQIQIXGTNT-UHFFFAOYSA-N 2 0 345.487 1.979 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001032404735 703425420 /nfs/dbraw/zinc/42/54/20/703425420.db2.gz VTAHZQRPFDGTEG-SQNIBIBYSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997192027 703489294 /nfs/dbraw/zinc/48/92/94/703489294.db2.gz IJXFLOVXAVSSPX-UHFFFAOYSA-N 2 0 328.460 1.566 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cccnc2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000997221057 703499362 /nfs/dbraw/zinc/49/93/62/703499362.db2.gz JTWNALYLAKHSLP-IBGZPJMESA-N 2 0 328.460 1.648 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997221790 703499732 /nfs/dbraw/zinc/49/97/32/703499732.db2.gz OJAWAUNIKSTKSV-IBGZPJMESA-N 2 0 346.475 1.858 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000997225018 703502041 /nfs/dbraw/zinc/50/20/41/703502041.db2.gz PLZHVTTZIKWEKW-SFHVURJKSA-N 2 0 332.448 1.550 20 0 EDADRP COc1ccc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000997299879 703557133 /nfs/dbraw/zinc/55/71/33/703557133.db2.gz QVDIHJAQRSWABK-QGZVFWFLSA-N 2 0 345.487 1.770 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000997360151 703590374 /nfs/dbraw/zinc/59/03/74/703590374.db2.gz LZPYUAGHERGFRV-GJZGRUSLSA-N 2 0 348.495 1.251 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nc(C)no2)CC1 ZINC000997365033 703598183 /nfs/dbraw/zinc/59/81/83/703598183.db2.gz QFFOXNCAVINUBT-HNNXBMFYSA-N 2 0 335.452 1.333 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997361408 703598596 /nfs/dbraw/zinc/59/85/96/703598596.db2.gz UVSZGONBEACRFW-HZPDHXFCSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997368933 703609199 /nfs/dbraw/zinc/60/91/99/703609199.db2.gz XGBHBJQYGAJYMR-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCOCC2)CCC1 ZINC001032443826 703620710 /nfs/dbraw/zinc/62/07/10/703620710.db2.gz FAWZDSOPWVCTNX-ROUUACIJSA-N 2 0 349.519 1.963 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1)[NH+](C)C ZINC001032474873 703695719 /nfs/dbraw/zinc/69/57/19/703695719.db2.gz QEFAMVRMRGHMLW-FJIDUMEYSA-N 2 0 337.508 1.553 20 0 EDADRP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997514091 703762525 /nfs/dbraw/zinc/76/25/25/703762525.db2.gz BYNWAINDXINISC-GUYCJALGSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CC2CC2)CC1 ZINC000997586077 703870950 /nfs/dbraw/zinc/87/09/50/703870950.db2.gz JSVBQBDVSWPJHK-HNNXBMFYSA-N 2 0 347.507 1.685 20 0 EDADRP CCCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997607732 703904489 /nfs/dbraw/zinc/90/44/89/703904489.db2.gz QBQZSHWQJVLHHT-MRXNPFEDSA-N 2 0 348.495 1.111 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000997611983 703909549 /nfs/dbraw/zinc/90/95/49/703909549.db2.gz IMHWSVFFWDWYOY-OAHLLOKOSA-N 2 0 329.435 1.954 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC000997615850 703915211 /nfs/dbraw/zinc/91/52/11/703915211.db2.gz XBUCFYWLBUPNTF-RHSMWYFYSA-N 2 0 331.464 1.460 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2coc(C3CC3)n2)C(C)(C)C1 ZINC000995551497 703956851 /nfs/dbraw/zinc/95/68/51/703956851.db2.gz NOGCYUGSNCXIGJ-HOTGVXAUSA-N 2 0 346.475 1.973 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1 ZINC000995554361 703968874 /nfs/dbraw/zinc/96/88/74/703968874.db2.gz WTIXSDRLGZLRHU-HOTGVXAUSA-N 2 0 334.439 1.642 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997659418 703987710 /nfs/dbraw/zinc/98/77/10/703987710.db2.gz LZDAOXKDQSBVJE-KBPBESRZSA-N 2 0 330.432 1.545 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999291394 706786929 /nfs/dbraw/zinc/78/69/29/706786929.db2.gz BARKPZACKMWUEV-WSDZMALLSA-N 2 0 347.507 1.272 20 0 EDADRP CC[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000922591070 704100966 /nfs/dbraw/zinc/10/09/66/704100966.db2.gz YUUKOJBQSCKBSY-GOSISDBHSA-N 2 0 335.492 1.827 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999308073 706808721 /nfs/dbraw/zinc/80/87/21/706808721.db2.gz OZMFOFWZSQWPCP-NVXWUHKLSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598131 704298761 /nfs/dbraw/zinc/29/87/61/704298761.db2.gz YKJFLHYXMZDZTR-XWTMOSNGSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000997782992 704687790 /nfs/dbraw/zinc/68/77/90/704687790.db2.gz BDTFNIRSKCIAOS-MRXNPFEDSA-N 2 0 347.463 1.048 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC000997786443 704692387 /nfs/dbraw/zinc/69/23/87/704692387.db2.gz QDGMGFHVJBDLLQ-RHSMWYFYSA-N 2 0 334.464 1.651 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997793163 704699384 /nfs/dbraw/zinc/69/93/84/704699384.db2.gz MUOFJOYLSLXMIH-CRAIPNDOSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997860888 704771447 /nfs/dbraw/zinc/77/14/47/704771447.db2.gz CUPLUSPIZNBTJP-XJKSGUPXSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997865190 704772496 /nfs/dbraw/zinc/77/24/96/704772496.db2.gz LYTDYVPVKDQWCR-INIZCTEOSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000997866340 704772982 /nfs/dbraw/zinc/77/29/82/704772982.db2.gz ITHRIARMMCAULL-HOCLYGCPSA-N 2 0 348.466 1.889 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944945509 704798536 /nfs/dbraw/zinc/79/85/36/704798536.db2.gz RQOOHRIPTXIAQB-WMLDXEAASA-N 2 0 334.464 1.659 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000998006119 705169017 /nfs/dbraw/zinc/16/90/17/705169017.db2.gz YSMXQYPVOZNABU-BBRMVZONSA-N 2 0 349.479 1.437 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1)[NH+](C)C ZINC000998041020 705230103 /nfs/dbraw/zinc/23/01/03/705230103.db2.gz ZKHIDHYFZGPWCZ-QGZVFWFLSA-N 2 0 335.496 1.335 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077419 705297856 /nfs/dbraw/zinc/29/78/56/705297856.db2.gz FVCMGCJSEFQFLY-GXTWGEPZSA-N 2 0 337.493 1.064 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000998080455 705305317 /nfs/dbraw/zinc/30/53/17/705305317.db2.gz ALUYWZNZUQDAEK-KBPBESRZSA-N 2 0 349.479 1.752 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2OC)CC1)[NH+](C)C ZINC000998084549 705315486 /nfs/dbraw/zinc/31/54/86/705315486.db2.gz BQDMOLBKTGAKLS-KRWDZBQOSA-N 2 0 348.491 1.759 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CC[C@@]3(C2)CCC[N@H+](CCF)C3)CC1 ZINC001040473067 705422362 /nfs/dbraw/zinc/42/23/62/705422362.db2.gz CTUFQVMNMMXCLD-SFHVURJKSA-N 2 0 341.471 1.381 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000998176385 705472704 /nfs/dbraw/zinc/47/27/04/705472704.db2.gz WIRAAEIKECUPET-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000998190452 705496336 /nfs/dbraw/zinc/49/63/36/705496336.db2.gz PYTPTIVLGOCAHK-ROUUACIJSA-N 2 0 347.507 1.538 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000998216654 705539118 /nfs/dbraw/zinc/53/91/18/705539118.db2.gz JNGADWCPFXKEGD-QGZVFWFLSA-N 2 0 347.507 1.399 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC000998224116 705553087 /nfs/dbraw/zinc/55/30/87/705553087.db2.gz XPNJJXSFCAUEOP-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1noc(CCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001032611516 705579285 /nfs/dbraw/zinc/57/92/85/705579285.db2.gz LVXVZPBAMRBVGO-YQQAZPJKSA-N 2 0 349.479 1.182 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCCO2)C1 ZINC001032629478 705751980 /nfs/dbraw/zinc/75/19/80/705751980.db2.gz YHIKGQTVIYLQMA-YESZJQIVSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722086 706153680 /nfs/dbraw/zinc/15/36/80/706153680.db2.gz ODRONNFDSYLMEO-LSDHHAIUSA-N 2 0 336.867 1.910 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998765230 706204760 /nfs/dbraw/zinc/20/47/60/706204760.db2.gz XAJINDJQMUOWRF-VJFUWPCTSA-N 2 0 347.507 1.414 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC000998791726 706238584 /nfs/dbraw/zinc/23/85/84/706238584.db2.gz QPGGYCQBDMRJCA-UWLZSVRSSA-N 2 0 336.505 1.871 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)no2)C1 ZINC000998867284 706296736 /nfs/dbraw/zinc/29/67/36/706296736.db2.gz PNUDSWBDWNEZIQ-VMBOVVBDSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000998867309 706297306 /nfs/dbraw/zinc/29/73/06/706297306.db2.gz QVNSITQUWFPWEO-UYSNPLJNSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000998868209 706297601 /nfs/dbraw/zinc/29/76/01/706297601.db2.gz VOGGACSGMOZOHI-OFLPRAFFSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998868355 706297775 /nfs/dbraw/zinc/29/77/75/706297775.db2.gz XBPMZIQOZDNAJY-GPANFISMSA-N 2 0 333.480 1.374 20 0 EDADRP Cc1nnc(CNC2CC(N(C)C(=O)[C@H]3CCCc4nccn43)C2)o1 ZINC000998902935 706339403 /nfs/dbraw/zinc/33/94/03/706339403.db2.gz ZVOQHCZPAPHOCQ-JXQTWKCFSA-N 2 0 344.419 1.231 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c(C)o1 ZINC000998995955 706413041 /nfs/dbraw/zinc/41/30/41/706413041.db2.gz WPDLSVMUHUCQJS-VMBOVVBDSA-N 2 0 334.464 1.855 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2cncs2)C1 ZINC000999050144 706470797 /nfs/dbraw/zinc/47/07/97/706470797.db2.gz JZWUCUSVMAVTHS-UHFFFAOYSA-N 2 0 334.489 1.851 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999144747 706558360 /nfs/dbraw/zinc/55/83/60/706558360.db2.gz NMDUWQSVOQKDCH-MSOLQXFVSA-N 2 0 347.507 1.856 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999362433 706876231 /nfs/dbraw/zinc/87/62/31/706876231.db2.gz AWKMYOHXPMNEIK-NVXWUHKLSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999369966 706883913 /nfs/dbraw/zinc/88/39/13/706883913.db2.gz KUGPPFXZTXDRLA-DOTOQJQBSA-N 2 0 331.464 1.206 20 0 EDADRP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000999411965 706921693 /nfs/dbraw/zinc/92/16/93/706921693.db2.gz MEEPJMVXAZAWDO-NNGSBXSVSA-N 2 0 333.476 1.364 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999507717 707005305 /nfs/dbraw/zinc/00/53/05/707005305.db2.gz DMPQDIIWULJVCJ-RDJZCZTQSA-N 2 0 331.464 1.350 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(F)c1 ZINC000921685081 707075262 /nfs/dbraw/zinc/07/52/62/707075262.db2.gz FMPWEIQETIAIOP-AWEZNQCLSA-N 2 0 337.439 1.585 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999697978 707223955 /nfs/dbraw/zinc/22/39/55/707223955.db2.gz BBXGHRUAOBTSQY-UHFFFAOYSA-N 2 0 339.443 1.935 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000999707623 707298777 /nfs/dbraw/zinc/29/87/77/707298777.db2.gz ITWYNBDKJWTUMX-UHFFFAOYSA-N 2 0 344.459 1.265 20 0 EDADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001004865313 707501568 /nfs/dbraw/zinc/50/15/68/707501568.db2.gz XLYHSUGKALARBD-RDJZCZTQSA-N 2 0 335.496 1.826 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986284 707657595 /nfs/dbraw/zinc/65/75/95/707657595.db2.gz HBTVCWNBSUEQSF-HYVNUMGLSA-N 2 0 348.495 1.137 20 0 EDADRP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000921690559 707730070 /nfs/dbraw/zinc/73/00/70/707730070.db2.gz SXYVIPCWUJNQQU-HOTGVXAUSA-N 2 0 349.475 1.352 20 0 EDADRP Cc1nccc(NC[C@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC001060922861 707856649 /nfs/dbraw/zinc/85/66/49/707856649.db2.gz USLUJZWZHXNJGB-MRXNPFEDSA-N 2 0 331.464 1.777 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009466 707925892 /nfs/dbraw/zinc/92/58/92/707925892.db2.gz NHCZFRHRTPGMMI-ZFWWWQNUSA-N 2 0 331.420 1.739 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCCOC3)C2)CC1 ZINC001000537916 708046992 /nfs/dbraw/zinc/04/69/92/708046992.db2.gz BTXQPXKDHLMYGD-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001001376621 708140795 /nfs/dbraw/zinc/14/07/95/708140795.db2.gz POKXCVIMENQOQF-DOTOQJQBSA-N 2 0 333.476 1.398 20 0 EDADRP C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001001420816 708146181 /nfs/dbraw/zinc/14/61/81/708146181.db2.gz QAHMKVMUTQELLV-HLLBOEOZSA-N 2 0 345.491 1.706 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582802 708266072 /nfs/dbraw/zinc/26/60/72/708266072.db2.gz RDMUPLQBUSCEOA-CVEARBPZSA-N 2 0 348.491 1.920 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582734 708266382 /nfs/dbraw/zinc/26/63/82/708266382.db2.gz QCUDCUQWEOLJRL-WBVHZDCISA-N 2 0 333.480 1.103 20 0 EDADRP Cc1ncc(CN2CC[C@@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033583600 708307441 /nfs/dbraw/zinc/30/74/41/708307441.db2.gz WEDHLGSVDAZZPP-NVXWUHKLSA-N 2 0 331.464 1.160 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)ncn1 ZINC001001835635 708340228 /nfs/dbraw/zinc/34/02/28/708340228.db2.gz YSFWNCMYCXZMGO-KDOFPFPSSA-N 2 0 345.491 1.311 20 0 EDADRP CCCC[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001924652 708431615 /nfs/dbraw/zinc/43/16/15/708431615.db2.gz NBTMOUCDWVISBL-UHFFFAOYSA-N 2 0 335.496 1.687 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccn2)CC1)C12CC[NH+](CC1)C2 ZINC001002043165 708533788 /nfs/dbraw/zinc/53/37/88/708533788.db2.gz LRMAEKUKKDTJRJ-UHFFFAOYSA-N 2 0 328.460 1.506 20 0 EDADRP Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005397344 708909158 /nfs/dbraw/zinc/90/91/58/708909158.db2.gz JTKRZRSOJJGFAR-GOSISDBHSA-N 2 0 346.475 1.748 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)CC(C)(C)C ZINC000922893192 708969713 /nfs/dbraw/zinc/96/97/13/708969713.db2.gz USFOJHFSOMKRAU-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427328 708982194 /nfs/dbraw/zinc/98/21/94/708982194.db2.gz WNIQSHJQGJTRLB-RBUKOAKNSA-N 2 0 349.519 1.963 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907992 709040637 /nfs/dbraw/zinc/04/06/37/709040637.db2.gz WSHUOANWTKILQR-VZDIDWBNSA-N 2 0 335.492 1.573 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001005474324 709110284 /nfs/dbraw/zinc/11/02/84/709110284.db2.gz BSFSYZKZCLVWPR-GOSISDBHSA-N 2 0 347.507 1.680 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034148198 709419082 /nfs/dbraw/zinc/41/90/82/709419082.db2.gz GKQMOBGQMUFBQQ-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002814840 709429534 /nfs/dbraw/zinc/42/95/34/709429534.db2.gz IBOBWFYTRJSPPL-HNNXBMFYSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+](CCC3CC3)CC2)n1 ZINC001002837416 709448253 /nfs/dbraw/zinc/44/82/53/709448253.db2.gz DNGIKYSQNMMECT-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+](CC3CCC3)CC2)n1 ZINC001002837442 709453300 /nfs/dbraw/zinc/45/33/00/709453300.db2.gz FBWAZZQKGWRXTQ-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP O=C(N[C@@H]1CCCC[N@@H+](CCO)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001034212936 709564338 /nfs/dbraw/zinc/56/43/38/709564338.db2.gz RXXGTOVTRQNOKQ-IAGOWNOFSA-N 2 0 337.508 1.604 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034215225 709568700 /nfs/dbraw/zinc/56/87/00/709568700.db2.gz XPZLPJRJYIHIGS-KBAYOESNSA-N 2 0 347.507 1.539 20 0 EDADRP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001034250350 709612796 /nfs/dbraw/zinc/61/27/96/709612796.db2.gz PVERQHQNEFUNKE-WMZOPIPTSA-N 2 0 337.508 1.747 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003008666 709792175 /nfs/dbraw/zinc/79/21/75/709792175.db2.gz RVYAAJFYDXBTTL-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003008664 709792192 /nfs/dbraw/zinc/79/21/92/709792192.db2.gz RVYAAJFYDXBTTL-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001034363318 709881043 /nfs/dbraw/zinc/88/10/43/709881043.db2.gz NLKJZSRZOUVFKV-RYQLBKOJSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034397295 709938097 /nfs/dbraw/zinc/93/80/97/709938097.db2.gz KBYZPCQHEXANLN-YJBOKZPZSA-N 2 0 343.487 1.552 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](C[C@H]2CCOC2)CC1 ZINC001045438295 710027886 /nfs/dbraw/zinc/02/78/86/710027886.db2.gz OHJYIJJTFBFGOF-IAGOWNOFSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001045438296 710027964 /nfs/dbraw/zinc/02/79/64/710027964.db2.gz OHJYIJJTFBFGOF-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490044 710107455 /nfs/dbraw/zinc/10/74/55/710107455.db2.gz IHRCXMNYXLGKPR-NVXWUHKLSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490455 710109463 /nfs/dbraw/zinc/10/94/63/710109463.db2.gz LMYHIGDEKFWFKJ-DOTOQJQBSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034525387 710175622 /nfs/dbraw/zinc/17/56/22/710175622.db2.gz LRPKGMFYFVWHBE-ZWKOTPCHSA-N 2 0 330.476 1.812 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccns3)C2)C1 ZINC001034526090 710177621 /nfs/dbraw/zinc/17/76/21/710177621.db2.gz UAQISDRPZKQIDI-LSDHHAIUSA-N 2 0 336.505 1.608 20 0 EDADRP Cc1ncccc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528113 710181547 /nfs/dbraw/zinc/18/15/47/710181547.db2.gz KHGYCWHTKYSJJZ-GOSISDBHSA-N 2 0 330.476 1.957 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544378 710217777 /nfs/dbraw/zinc/21/77/77/710217777.db2.gz QTFZEJFEKBRLFF-WBVHZDCISA-N 2 0 333.476 1.713 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375218 710293015 /nfs/dbraw/zinc/29/30/15/710293015.db2.gz KKXIHKFSZCDNFW-APWZRJJASA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CCCO)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001003495354 710380893 /nfs/dbraw/zinc/38/08/93/710380893.db2.gz WMVFDGCDOJKITH-SFHVURJKSA-N 2 0 337.508 1.747 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC001003626689 710448598 /nfs/dbraw/zinc/44/85/98/710448598.db2.gz UUYNPRRELQVSFS-KLHKWILBSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003630828 710460091 /nfs/dbraw/zinc/46/00/91/710460091.db2.gz OIZVCIJASGZHOZ-CQSZACIVSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003631913 710460627 /nfs/dbraw/zinc/46/06/27/710460627.db2.gz WTRXCHRVVLDWIB-HIFRSBDPSA-N 2 0 345.434 1.333 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633233 710461148 /nfs/dbraw/zinc/46/11/48/710461148.db2.gz CRNVLZIQXFEYMC-KBXCAEBGSA-N 2 0 330.476 1.668 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034658810 710587559 /nfs/dbraw/zinc/58/75/59/710587559.db2.gz HUWPJSXTSFQGOS-ZOBUZTSGSA-N 2 0 348.495 1.207 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005641061 710801968 /nfs/dbraw/zinc/80/19/68/710801968.db2.gz WOGROLKKCVSDDM-NVXWUHKLSA-N 2 0 325.497 1.410 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734270 710915645 /nfs/dbraw/zinc/91/56/45/710915645.db2.gz LXWVXVZXBNFFHA-XRGAULLZSA-N 2 0 349.479 1.798 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034736228 710923032 /nfs/dbraw/zinc/92/30/32/710923032.db2.gz TVEBWXCYVICGTI-BRWVUGGUSA-N 2 0 347.507 1.904 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737571 710950026 /nfs/dbraw/zinc/95/00/26/710950026.db2.gz MUBPCPZGWWTQMI-QBPKDAKJSA-N 2 0 347.507 1.618 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1)C(N)=O ZINC001034748706 710955356 /nfs/dbraw/zinc/95/53/56/710955356.db2.gz BANFNWGRXRUYIB-VGWMRTNUSA-N 2 0 338.496 1.142 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034776641 711053414 /nfs/dbraw/zinc/05/34/14/711053414.db2.gz VVLLOGQGIVCKPJ-IHRRRGAJSA-N 2 0 337.493 1.397 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001034778209 711079593 /nfs/dbraw/zinc/07/95/93/711079593.db2.gz OVLLQTHIQBVUML-ULQDDVLXSA-N 2 0 335.492 1.668 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034779068 711083185 /nfs/dbraw/zinc/08/31/85/711083185.db2.gz NWDMXULPAQKMLD-JYJNAYRXSA-N 2 0 334.464 1.842 20 0 EDADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)C(N)=O ZINC001034795938 711115735 /nfs/dbraw/zinc/11/57/35/711115735.db2.gz YSPITEHSZQMYDB-VGWMRTNUSA-N 2 0 338.496 1.142 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001034793245 711122277 /nfs/dbraw/zinc/12/22/77/711122277.db2.gz VDGSZTHWVQPZSW-KKUMJFAQSA-N 2 0 336.505 1.920 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nonc2C)CC1 ZINC001034796504 711127798 /nfs/dbraw/zinc/12/77/98/711127798.db2.gz HUPIGLPDPBQYKB-ZOBUZTSGSA-N 2 0 349.479 1.769 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001003974791 711134666 /nfs/dbraw/zinc/13/46/66/711134666.db2.gz KDGLNNRSBPKENY-UKRRQHHQSA-N 2 0 345.434 1.333 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001003977946 711152335 /nfs/dbraw/zinc/15/23/35/711152335.db2.gz ZXDZNUIHWBXGIU-AWEZNQCLSA-N 2 0 336.505 1.608 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003976282 711175682 /nfs/dbraw/zinc/17/56/82/711175682.db2.gz PQHBIRFVCHNRJQ-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)cs1 ZINC001034942376 711394821 /nfs/dbraw/zinc/39/48/21/711394821.db2.gz WTRNGAGTXOEDFC-SJORKVTESA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034958853 711432763 /nfs/dbraw/zinc/43/27/63/711432763.db2.gz MNDBQNYQCLSDMC-SJLPKXTDSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001034938797 711440696 /nfs/dbraw/zinc/44/06/96/711440696.db2.gz SLUGUTJPSUWNBP-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)s1 ZINC001034939444 711441623 /nfs/dbraw/zinc/44/16/23/711441623.db2.gz ANQKXOOILKPFFQ-XNRPHZJLSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939539 711442227 /nfs/dbraw/zinc/44/22/27/711442227.db2.gz FPWLKIJIJARLJY-MGPQQGTHSA-N 2 0 337.493 1.267 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001004145080 711553575 /nfs/dbraw/zinc/55/35/75/711553575.db2.gz SJPYJUFDERFFEF-CYBMUJFWSA-N 2 0 337.414 1.997 20 0 EDADRP Cc1cccc(OCC[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004150795 711566606 /nfs/dbraw/zinc/56/66/06/711566606.db2.gz UHMTYNUGPFJLCS-KRWDZBQOSA-N 2 0 345.487 1.906 20 0 EDADRP O=C([C@@H]1CCCc2nccn21)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946623337 711922887 /nfs/dbraw/zinc/92/28/87/711922887.db2.gz IDYMJEYAJUBXSE-XHSDSOJGSA-N 2 0 334.439 1.900 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000187342433 529795382 /nfs/dbraw/zinc/79/53/82/529795382.db2.gz OLFSPTPKFSNWLA-MSOLQXFVSA-N 2 0 346.475 1.453 20 0 EDADRP CN1C(=O)CCc2cc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)ccc21 ZINC000187229282 530043085 /nfs/dbraw/zinc/04/30/85/530043085.db2.gz FQAWTMLXRRXCTK-GOSISDBHSA-N 2 0 345.487 1.922 20 0 EDADRP C[NH+](C)CCOc1ccc(CN2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000093394713 539505930 /nfs/dbraw/zinc/50/59/30/539505930.db2.gz BHAJUNIAQZFPHX-UHFFFAOYSA-N 2 0 349.519 1.906 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000560961108 306281232 /nfs/dbraw/zinc/28/12/32/306281232.db2.gz XXMCEBIHRFCKOA-CQSZACIVSA-N 2 0 346.475 1.978 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000333235392 539626258 /nfs/dbraw/zinc/62/62/58/539626258.db2.gz CXNMBGBSUQBWTL-GDBMZVCRSA-N 2 0 331.526 1.558 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000561612297 306289503 /nfs/dbraw/zinc/28/95/03/306289503.db2.gz VYZSPOBZXWLOFI-SFHVURJKSA-N 2 0 333.476 1.601 20 0 EDADRP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000279918859 540069992 /nfs/dbraw/zinc/06/99/92/540069992.db2.gz ABKHHXSAYMUOMQ-WMLDXEAASA-N 2 0 333.476 1.917 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270838 306325801 /nfs/dbraw/zinc/32/58/01/306325801.db2.gz BZKLZZYNJROHQV-LJQANCHMSA-N 3 0 340.556 1.085 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C[C@H](C)O1 ZINC000183601800 235158187 /nfs/dbraw/zinc/15/81/87/235158187.db2.gz MOAHDFZQWJEVDW-GASCZTMLSA-N 2 0 334.464 1.767 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(CC[NH3+])CC3)cc2)CC1 ZINC000563339661 306328309 /nfs/dbraw/zinc/32/83/09/306328309.db2.gz WKXSYNSMCZGJJT-UHFFFAOYSA-N 2 0 344.503 1.635 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)CCO1 ZINC000184227940 235340907 /nfs/dbraw/zinc/34/09/07/235340907.db2.gz ZJGGQPDUQKEWBL-INIZCTEOSA-N 2 0 337.508 1.997 20 0 EDADRP CC[N@H+]1C[C@@H](C)N(C(=O)c2ccc(CN3CCOCC3)cn2)[C@@H](C)C1 ZINC000563408166 306331909 /nfs/dbraw/zinc/33/19/09/306331909.db2.gz RUDGGSJLSHVIGY-IYBDPMFKSA-N 2 0 346.475 1.469 20 0 EDADRP C[C@@H](c1ccccc1Cl)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563539036 306338109 /nfs/dbraw/zinc/33/81/09/306338109.db2.gz LQRDXSUMZQDEAP-INIZCTEOSA-N 2 0 336.911 1.924 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)COCC(C)C)CC2)CC1 ZINC000112412333 138309212 /nfs/dbraw/zinc/30/92/12/138309212.db2.gz HBHYCEYOGQXCMR-LJQANCHMSA-N 2 0 341.540 1.512 20 0 EDADRP COC(=O)CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130657848 138344085 /nfs/dbraw/zinc/34/40/85/138344085.db2.gz ORPLGLYJYLKBEM-UHFFFAOYSA-N 2 0 341.496 1.356 20 0 EDADRP CN(CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cc[nH+]cc1 ZINC000563872281 306350834 /nfs/dbraw/zinc/35/08/34/306350834.db2.gz LCPJUGMDOUJQDI-MRXNPFEDSA-N 2 0 346.475 1.525 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000410064807 291135984 /nfs/dbraw/zinc/13/59/84/291135984.db2.gz ZKDJOVSFUPETGM-YESZJQIVSA-N 2 0 338.496 1.223 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)CN1CCOCC1 ZINC000564722816 306363717 /nfs/dbraw/zinc/36/37/17/306363717.db2.gz SMGBVNRXFNNCRX-IBGZPJMESA-N 2 0 333.476 1.065 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)c2c[nH]nc2-c2ccccn2)CC1 ZINC000565336352 306381416 /nfs/dbraw/zinc/38/14/16/306381416.db2.gz QZNKGIVKKOILGD-UHFFFAOYSA-N 2 0 342.447 1.228 20 0 EDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(C)C ZINC000414200519 304105671 /nfs/dbraw/zinc/10/56/71/304105671.db2.gz RYIABPDJAGYCGX-IXDOHACOSA-N 2 0 339.524 1.432 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000565887666 306393970 /nfs/dbraw/zinc/39/39/70/306393970.db2.gz ZZRQFPKSHGCJAA-IBGZPJMESA-N 2 0 340.471 1.527 20 0 EDADRP CC[C@@H]1C[C@@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000414480675 304117927 /nfs/dbraw/zinc/11/79/27/304117927.db2.gz JGZQLXKJNWWVQN-ZWKOTPCHSA-N 2 0 339.524 1.578 20 0 EDADRP CC(C)OC1CC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000414490418 304119594 /nfs/dbraw/zinc/11/95/94/304119594.db2.gz XJMZGCDFRUBZEU-UHFFFAOYSA-N 2 0 325.497 1.329 20 0 EDADRP C[C@H](O)[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000414578555 304123179 /nfs/dbraw/zinc/12/31/79/304123179.db2.gz IERPALMJHRIBBU-JXFKEZNVSA-N 2 0 347.503 1.799 20 0 EDADRP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000414699189 304129535 /nfs/dbraw/zinc/12/95/35/304129535.db2.gz JMWATJGVORHINR-CYGHRXIMSA-N 2 0 337.508 1.709 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703679 304130266 /nfs/dbraw/zinc/13/02/66/304130266.db2.gz MNCUNVTXIQQDNU-SJORKVTESA-N 2 0 333.451 1.887 20 0 EDADRP CCOc1ccnc(N2CCC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414709048 304130701 /nfs/dbraw/zinc/13/07/01/304130701.db2.gz OMNPJISPWFRHDA-CVEARBPZSA-N 2 0 333.480 1.776 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)CCC[NH3+] ZINC000414724695 304133439 /nfs/dbraw/zinc/13/34/39/304133439.db2.gz GBPJDNDBSIYIRX-HNNXBMFYSA-N 2 0 333.480 1.996 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000414735483 304134920 /nfs/dbraw/zinc/13/49/20/304134920.db2.gz MACPTFZDGDDNDO-MRXNPFEDSA-N 2 0 344.459 1.431 20 0 EDADRP COc1ccc(OC(F)F)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414784896 304140637 /nfs/dbraw/zinc/14/06/37/304140637.db2.gz UEWULOPVMVLKPK-UHFFFAOYSA-N 2 0 329.391 1.682 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)cc1 ZINC000414835595 304146117 /nfs/dbraw/zinc/14/61/17/304146117.db2.gz DMGYOZGBDVDJPK-MRXNPFEDSA-N 2 0 348.491 1.827 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)CCCC[NH3+])CC1 ZINC000415019398 304151311 /nfs/dbraw/zinc/15/13/11/304151311.db2.gz VRXPRYYRHKTBEA-INIZCTEOSA-N 2 0 332.492 1.962 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCCN2CCOCC2)c1 ZINC000103246698 204069606 /nfs/dbraw/zinc/06/96/06/204069606.db2.gz FZVPZNYZSUQOEX-UHFFFAOYSA-N 2 0 348.491 1.400 20 0 EDADRP Cc1[nH]nc2ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc12 ZINC000102792640 204050816 /nfs/dbraw/zinc/05/08/16/204050816.db2.gz NIKQWLJRTLARNM-UHFFFAOYSA-N 2 0 346.479 1.612 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137691 304162880 /nfs/dbraw/zinc/16/28/80/304162880.db2.gz JBTAYNJEGVDRGZ-JKSUJKDBSA-N 2 0 334.489 1.777 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137476 304162915 /nfs/dbraw/zinc/16/29/15/304162915.db2.gz JBTAYNJEGVDRGZ-CVEARBPZSA-N 2 0 334.489 1.777 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000444382998 296176406 /nfs/dbraw/zinc/17/64/06/296176406.db2.gz QTSWQCSXBDYNFG-CVEARBPZSA-N 2 0 325.497 1.555 20 0 EDADRP COc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(OC)c1O ZINC000415146137 304164942 /nfs/dbraw/zinc/16/49/42/304164942.db2.gz YGRNVZVDDWOWHF-CABCVRRESA-N 2 0 348.443 1.610 20 0 EDADRP Cc1c(C(=O)N[C@H](CC(C)C)C[NH+](C)C)nnn1C1CC[NH2+]CC1 ZINC000236753696 139030478 /nfs/dbraw/zinc/03/04/78/139030478.db2.gz IFZCSDNKRXKLDK-CQSZACIVSA-N 2 0 336.484 1.217 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415165090 304168842 /nfs/dbraw/zinc/16/88/42/304168842.db2.gz LWPPSHJBXBELMK-UHFFFAOYSA-N 2 0 346.475 1.809 20 0 EDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000236960252 139036608 /nfs/dbraw/zinc/03/66/08/139036608.db2.gz UYGDQDHMDFXLTE-CVEARBPZSA-N 2 0 332.448 1.529 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)NC(C)(C)C[NH3+])c2ccccc2)CC1 ZINC000567361789 306448939 /nfs/dbraw/zinc/44/89/39/306448939.db2.gz LFEDKUWJIJDUKR-MRXNPFEDSA-N 2 0 333.480 1.012 20 0 EDADRP COCC[NH2+]CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000237178712 139043145 /nfs/dbraw/zinc/04/31/45/139043145.db2.gz HQZRGXGFBQHTLZ-UHFFFAOYSA-N 2 0 325.478 1.312 20 0 EDADRP COCC[NH2+]CC(=O)N1CCN(Cc2cccc3ccccc32)CC1 ZINC000237168854 139042931 /nfs/dbraw/zinc/04/29/31/139042931.db2.gz AIIHKYGUIKLQTF-UHFFFAOYSA-N 2 0 341.455 1.720 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)[NH+](C)C)c1 ZINC000237314172 139047556 /nfs/dbraw/zinc/04/75/56/139047556.db2.gz FWWSAABEXWFKFN-SJORKVTESA-N 2 0 331.460 1.804 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CC23CC[NH2+]CC3)[NH+](C)C)c1 ZINC000237283496 139046638 /nfs/dbraw/zinc/04/66/38/139046638.db2.gz FWWSAABEXWFKFN-DLBZAZTESA-N 2 0 331.460 1.804 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1)N1CC[NH+](C)CC1 ZINC000127386272 205098706 /nfs/dbraw/zinc/09/87/06/205098706.db2.gz ZAAUVWIWVAXOQP-HZPDHXFCSA-N 2 0 346.475 1.930 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000415179311 304171382 /nfs/dbraw/zinc/17/13/82/304171382.db2.gz LGBRVXULJMBJFC-HNNXBMFYSA-N 2 0 332.448 1.287 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415186140 304172537 /nfs/dbraw/zinc/17/25/37/304172537.db2.gz MOKZTLRDFLOEMH-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237565877 139054264 /nfs/dbraw/zinc/05/42/64/139054264.db2.gz SNDOHTFZDMOXMT-LPHOPBHVSA-N 2 0 346.519 1.712 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237900982 139063243 /nfs/dbraw/zinc/06/32/43/139063243.db2.gz PADCBKPCGICDQW-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000111817996 220198554 /nfs/dbraw/zinc/19/85/54/220198554.db2.gz MQEYHMCIEFWFHN-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000238084627 139068614 /nfs/dbraw/zinc/06/86/14/139068614.db2.gz WBEAMQVLHGOZBF-HNNXBMFYSA-N 2 0 325.522 1.995 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000111866552 220214051 /nfs/dbraw/zinc/21/40/51/220214051.db2.gz CZHFTDPTFZJBBZ-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@@H](C)CN1CCOCC1)[NH+]1CCCC1 ZINC000159118611 206226685 /nfs/dbraw/zinc/22/66/85/206226685.db2.gz GPKMMYKSBIAIRZ-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP CSC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000246525626 139111866 /nfs/dbraw/zinc/11/18/66/139111866.db2.gz ABZHMQIAJYUYSE-JKSUJKDBSA-N 2 0 343.537 1.287 20 0 EDADRP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@H](C)[NH3+])c2C1 ZINC000415376823 304208083 /nfs/dbraw/zinc/20/80/83/304208083.db2.gz NICRNWXICNPPBG-UONOGXRCSA-N 2 0 346.475 1.839 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000415385735 304210872 /nfs/dbraw/zinc/21/08/72/304210872.db2.gz AHYNCZGDCDLTTA-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000415392518 304212751 /nfs/dbraw/zinc/21/27/51/304212751.db2.gz JJVJNDIBIAJXRC-HNNXBMFYSA-N 2 0 332.448 1.063 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H]1CCCOC1)c1ccccc1 ZINC000249271857 139189851 /nfs/dbraw/zinc/18/98/51/139189851.db2.gz BMMKVVVGNDIQNU-SJLPKXTDSA-N 2 0 333.476 1.764 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000249490649 139194021 /nfs/dbraw/zinc/19/40/21/139194021.db2.gz VFJFVRQRHJEMOQ-KVPLUYHFSA-N 2 0 342.487 1.990 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000415446723 304220723 /nfs/dbraw/zinc/22/07/23/304220723.db2.gz PPXMLBLYVAXUBO-RHSMWYFYSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261560690 139209087 /nfs/dbraw/zinc/20/90/87/139209087.db2.gz FKEHHKMKEHTCSW-SJLPKXTDSA-N 2 0 345.487 1.769 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261629662 139212729 /nfs/dbraw/zinc/21/27/29/139212729.db2.gz HEXPPOHRRBHZCC-FUHWJXTLSA-N 2 0 331.460 1.775 20 0 EDADRP O=S(=O)(NC1CC[NH+](CC2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000261643032 139213741 /nfs/dbraw/zinc/21/37/41/139213741.db2.gz FTFNOQWABWXURM-UHFFFAOYSA-N 2 0 337.489 1.429 20 0 EDADRP C[C@]1(C[NH3+])CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261656415 139214958 /nfs/dbraw/zinc/21/49/58/139214958.db2.gz HVGUGFUZKNYCIV-HXUWFJFHSA-N 2 0 344.503 1.569 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2coc(-c3cccs3)n2)C1 ZINC000261833093 139230002 /nfs/dbraw/zinc/23/00/02/139230002.db2.gz XWSXJGCISGWRPL-GFCCVEGCSA-N 2 0 334.445 1.690 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cccn2)cc1 ZINC000261940917 139238810 /nfs/dbraw/zinc/23/88/10/139238810.db2.gz DSUDRINWSUIGNF-SFHVURJKSA-N 2 0 341.459 1.692 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000261968625 139240653 /nfs/dbraw/zinc/24/06/53/139240653.db2.gz IAJOULZCSYESNE-KRWDZBQOSA-N 2 0 342.447 1.087 20 0 EDADRP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262074402 139248664 /nfs/dbraw/zinc/24/86/64/139248664.db2.gz CZVCIURZNQBFBC-CQSZACIVSA-N 2 0 329.473 1.685 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1F ZINC000262137834 139254184 /nfs/dbraw/zinc/25/41/84/139254184.db2.gz DPHGBHHOPCTRQU-RDJZCZTQSA-N 2 0 349.450 1.915 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000415469477 250955758 /nfs/dbraw/zinc/95/57/58/250955758.db2.gz XLHGHFLMYGOBCR-DOTOQJQBSA-N 2 0 346.475 1.711 20 0 EDADRP O=C(CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262274037 139265658 /nfs/dbraw/zinc/26/56/58/139265658.db2.gz YQDFTLNJAOKWQL-IBGZPJMESA-N 2 0 331.460 1.254 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262304149 139268420 /nfs/dbraw/zinc/26/84/20/139268420.db2.gz RAAJHQPKYLHHDE-OALUTQOASA-N 2 0 344.503 1.438 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000416992207 251121051 /nfs/dbraw/zinc/12/10/51/251121051.db2.gz OYAPKMTZTCSPFQ-QGZVFWFLSA-N 2 0 348.491 1.816 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000417001211 251125147 /nfs/dbraw/zinc/12/51/47/251125147.db2.gz ZPHPUVONCQAEGK-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417256002 251149931 /nfs/dbraw/zinc/14/99/31/251149931.db2.gz QSKKQMVPKDQOOP-XJFOESAGSA-N 2 0 332.439 1.649 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262342437 139271684 /nfs/dbraw/zinc/27/16/84/139271684.db2.gz HZOUDUDHRPMUHP-OXJNMPFZSA-N 2 0 342.487 1.942 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417555244 251186197 /nfs/dbraw/zinc/18/61/97/251186197.db2.gz XOMKQAHGTRVWOO-MRXNPFEDSA-N 2 0 334.464 1.180 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417552250 251186810 /nfs/dbraw/zinc/18/68/10/251186810.db2.gz QICFOHFRWOENNX-GOSISDBHSA-N 2 0 347.507 1.981 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000417579527 251195684 /nfs/dbraw/zinc/19/56/84/251195684.db2.gz AUYLZPCCMCHSTI-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000417578135 251196501 /nfs/dbraw/zinc/19/65/01/251196501.db2.gz KYLYSHXQQODKLO-BPQIPLTHSA-N 2 0 348.491 1.655 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262393883 139275776 /nfs/dbraw/zinc/27/57/76/139275776.db2.gz OOXOHZFKCKJUMX-HHXXYDBFSA-N 2 0 337.508 1.317 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417694745 251231089 /nfs/dbraw/zinc/23/10/89/251231089.db2.gz DTTRTOCNMIHYJB-INIZCTEOSA-N 2 0 340.512 1.790 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417730627 251247083 /nfs/dbraw/zinc/24/70/83/251247083.db2.gz DNZHFLMUWVSJGS-ROUUACIJSA-N 2 0 342.487 1.337 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736440 251249378 /nfs/dbraw/zinc/24/93/78/251249378.db2.gz MPQKVDZMKICNLT-MAUKXSAKSA-N 2 0 344.503 1.902 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417827946 251286604 /nfs/dbraw/zinc/28/66/04/251286604.db2.gz DVQLMSYGJREQRH-HNNXBMFYSA-N 2 0 334.464 1.140 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000417837992 251292601 /nfs/dbraw/zinc/29/26/01/251292601.db2.gz VNJGNWMVLPNBOX-KRWDZBQOSA-N 2 0 336.505 1.594 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417794713 251272432 /nfs/dbraw/zinc/27/24/32/251272432.db2.gz MBLVWDAICWJCBU-QGZVFWFLSA-N 2 0 339.528 1.184 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000417794712 251273101 /nfs/dbraw/zinc/27/31/01/251273101.db2.gz MBLVWDAICWJCBU-KRWDZBQOSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000417812391 251281605 /nfs/dbraw/zinc/28/16/05/251281605.db2.gz FFCKFEDXVIFQIE-INIZCTEOSA-N 2 0 328.526 1.455 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418112148 251326467 /nfs/dbraw/zinc/32/64/67/251326467.db2.gz HVMRKRMJEMJNEV-MRXNPFEDSA-N 2 0 340.512 1.838 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000418113854 251326759 /nfs/dbraw/zinc/32/67/59/251326759.db2.gz KFMXLSRGPRNCRW-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)OC(=O)C1(C(=O)OC(C)C)CC([NH2+]CC2(N(C)C)CC2)C1 ZINC000418119488 251333456 /nfs/dbraw/zinc/33/34/56/251333456.db2.gz XPQYHXAZFHIXNK-UHFFFAOYSA-N 2 0 340.464 1.722 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418122877 251334561 /nfs/dbraw/zinc/33/45/61/251334561.db2.gz YCXYPKQQRDNBAZ-GJZGRUSLSA-N 2 0 329.448 1.463 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000418429496 251368070 /nfs/dbraw/zinc/36/80/70/251368070.db2.gz NRLRNVBNFMTZLC-WBVHZDCISA-N 2 0 332.448 1.050 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436566 251370989 /nfs/dbraw/zinc/37/09/89/251370989.db2.gz IQALXAINAHQDPT-INIZCTEOSA-N 3 0 341.544 1.561 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCCN1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000418306073 251358140 /nfs/dbraw/zinc/35/81/40/251358140.db2.gz QEPTWEMNFRWILM-SFHVURJKSA-N 2 0 341.459 1.044 20 0 EDADRP C[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418305645 251358576 /nfs/dbraw/zinc/35/85/76/251358576.db2.gz IIGHQAVKYXSOIH-IUODEOHRSA-N 2 0 326.391 1.319 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418306158 251358597 /nfs/dbraw/zinc/35/85/97/251358597.db2.gz JQEPITKLHMVYDY-BBRMVZONSA-N 2 0 338.402 1.462 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H]1CC ZINC000418345187 251362065 /nfs/dbraw/zinc/36/20/65/251362065.db2.gz LFLURJNCDQMBCL-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418714545 251393918 /nfs/dbraw/zinc/39/39/18/251393918.db2.gz YQTLOLWHPNWAGP-UXLLHSPISA-N 2 0 340.512 1.645 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262627392 139291289 /nfs/dbraw/zinc/29/12/89/139291289.db2.gz CDNLKTHFLCDQNJ-NXHRZFHOSA-N 2 0 337.508 1.913 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262707967 139297913 /nfs/dbraw/zinc/29/79/13/139297913.db2.gz DRKPXOVGZIFHAY-JKSUJKDBSA-N 2 0 333.480 1.658 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262711617 139298118 /nfs/dbraw/zinc/29/81/18/139298118.db2.gz QQMFCRNYAXGLEK-MRXNPFEDSA-N 2 0 347.463 1.968 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262715751 139298461 /nfs/dbraw/zinc/29/84/61/139298461.db2.gz VJHOHRBHFRGQQL-MPGHIAIKSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262705018 139297521 /nfs/dbraw/zinc/29/75/21/139297521.db2.gz BKKVIGKGGYEYPU-KRWDZBQOSA-N 2 0 332.492 1.438 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262793296 139303986 /nfs/dbraw/zinc/30/39/86/139303986.db2.gz OLPALXBQXRVQDJ-INIZCTEOSA-N 2 0 333.480 1.659 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2CSCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000262798754 139304460 /nfs/dbraw/zinc/30/44/60/139304460.db2.gz OSCXJLOPQACOFC-OIISXLGYSA-N 2 0 333.501 1.861 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000262895440 139311106 /nfs/dbraw/zinc/31/11/06/139311106.db2.gz XDNVHRQHILETLR-QFBILLFUSA-N 2 0 344.503 1.945 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888654 252012434 /nfs/dbraw/zinc/01/24/34/252012434.db2.gz DMSJMTMQIFITPT-FXAWDEMLSA-N 3 0 330.520 1.912 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422893529 252013504 /nfs/dbraw/zinc/01/35/04/252013504.db2.gz ADGWHZUOSWDPSU-OALUTQOASA-N 2 0 333.476 1.484 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422850890 251999558 /nfs/dbraw/zinc/99/95/58/251999558.db2.gz OJJQBOLICMCWIV-KRWDZBQOSA-N 2 0 327.513 1.613 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCN2CCCCC2=O)CC[NH2+]CC1 ZINC000422859116 252001836 /nfs/dbraw/zinc/00/18/36/252001836.db2.gz JJOYKVIHEWRRNJ-OAHLLOKOSA-N 2 0 339.480 1.300 20 0 EDADRP CN(CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094570 252036734 /nfs/dbraw/zinc/03/67/34/252036734.db2.gz KKMBGBZOTQKVSF-IUODEOHRSA-N 2 0 329.441 1.163 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000423783782 252071752 /nfs/dbraw/zinc/07/17/52/252071752.db2.gz QDABEHOWVWOGTL-FHLIZLRMSA-N 2 0 331.460 1.377 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000423182593 252044626 /nfs/dbraw/zinc/04/46/26/252044626.db2.gz QMWDCZCABBSZDI-OAHLLOKOSA-N 2 0 328.464 1.522 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423357087 252052454 /nfs/dbraw/zinc/05/24/54/252052454.db2.gz LLJYYXPZMZJLRM-UYAOXDASSA-N 2 0 345.487 1.874 20 0 EDADRP COCC[NH2+]CCNC(=O)[C@@H]1CCn2c(cnc2C2CCCCC2)C1 ZINC000423484817 252055357 /nfs/dbraw/zinc/05/53/57/252055357.db2.gz ALMYBUJCEIMYBT-MRXNPFEDSA-N 2 0 348.491 1.845 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N1C[C@H](C[NH3+])C[C@H]1C)CC2 ZINC000423485322 252055434 /nfs/dbraw/zinc/05/54/34/252055434.db2.gz ZCKKYOGJIOMIGB-KGLIPLIRSA-N 2 0 347.459 1.258 20 0 EDADRP C[C@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCCC[NH2+]1 ZINC000422912523 252019646 /nfs/dbraw/zinc/01/96/46/252019646.db2.gz WLYPHFBKTHBRHH-YJBOKZPZSA-N 2 0 332.492 1.598 20 0 EDADRP C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C[NH3+] ZINC000424004289 252112118 /nfs/dbraw/zinc/11/21/18/252112118.db2.gz FDYIPKXHPORKPE-ZWKOTPCHSA-N 2 0 344.503 1.642 20 0 EDADRP CCc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000424021480 252115777 /nfs/dbraw/zinc/11/57/77/252115777.db2.gz QTDLMZFJPAKUTR-UHFFFAOYSA-N 2 0 341.459 1.695 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000424043638 252123904 /nfs/dbraw/zinc/12/39/04/252123904.db2.gz NOVFBLBOFXEOKM-MGMWPHTOSA-N 2 0 335.492 1.365 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424148033 252142862 /nfs/dbraw/zinc/14/28/62/252142862.db2.gz SUNZZBSPSOFWSJ-CABCVRRESA-N 2 0 334.468 1.007 20 0 EDADRP COC[C@@]1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCC[NH2+]1 ZINC000424181469 252154742 /nfs/dbraw/zinc/15/47/42/252154742.db2.gz XOMRFEWKQWPXHX-AEFFLSMTSA-N 2 0 325.497 1.949 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCN(C)C(=O)C2)CC1 ZINC000424195364 252157985 /nfs/dbraw/zinc/15/79/85/252157985.db2.gz ZGBPLVUWFZXSKQ-KRWDZBQOSA-N 2 0 344.503 1.787 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424126443 252131168 /nfs/dbraw/zinc/13/11/68/252131168.db2.gz BSUPODCZACYKGT-OAHLLOKOSA-N 2 0 348.495 1.397 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424132573 252136006 /nfs/dbraw/zinc/13/60/06/252136006.db2.gz KYDGATGCCRWAGR-BZUAXINKSA-N 2 0 348.495 1.300 20 0 EDADRP C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000424245830 252177113 /nfs/dbraw/zinc/17/71/13/252177113.db2.gz VCLAQVACQLNSGC-VJUNAUMWSA-N 2 0 327.432 1.009 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000262964771 139315672 /nfs/dbraw/zinc/31/56/72/139315672.db2.gz WYBRQEYEBDUSDS-ZOBUZTSGSA-N 2 0 333.476 1.623 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424439700 252231897 /nfs/dbraw/zinc/23/18/97/252231897.db2.gz OSODKHXUXPTFPK-UKRRQHHQSA-N 2 0 346.475 1.629 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)ccc21 ZINC000415627146 304242019 /nfs/dbraw/zinc/24/20/19/304242019.db2.gz WULDOMCUPXNQOH-RHSMWYFYSA-N 2 0 344.459 1.432 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000569912166 306524566 /nfs/dbraw/zinc/52/45/66/306524566.db2.gz YMKMDKJQWAOYMQ-HNNXBMFYSA-N 2 0 331.464 1.597 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000112745205 220394902 /nfs/dbraw/zinc/39/49/02/220394902.db2.gz NZWDYNZDJZHCNM-SFHVURJKSA-N 2 0 332.492 1.897 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000570164106 306532213 /nfs/dbraw/zinc/53/22/13/306532213.db2.gz SPZSDFARQXHMNS-MRXNPFEDSA-N 2 0 345.491 1.198 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249143348 296389422 /nfs/dbraw/zinc/38/94/22/296389422.db2.gz WSVIRVKAASOREE-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC2CC2)nn1 ZINC000449827754 254648090 /nfs/dbraw/zinc/64/80/90/254648090.db2.gz VHTWLOJIGNNKAS-INIZCTEOSA-N 2 0 348.495 1.176 20 0 EDADRP C[C@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746370 255052295 /nfs/dbraw/zinc/05/22/95/255052295.db2.gz FWPCRHNPOGYHBC-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1cc(F)cc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000493145735 255193101 /nfs/dbraw/zinc/19/31/01/255193101.db2.gz GLPHIHVJYLTMLP-SFECMWDFSA-N 2 0 348.422 1.938 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000494287697 255244304 /nfs/dbraw/zinc/24/43/04/255244304.db2.gz LROYRVYKNUWFLN-INIZCTEOSA-N 2 0 337.464 1.005 20 0 EDADRP CCN(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)NC(=O)OC(C)(C)C ZINC000496272719 255373228 /nfs/dbraw/zinc/37/32/28/255373228.db2.gz IHVLCZOTSNTVQK-RBSFLKMASA-N 2 0 329.485 1.846 20 0 EDADRP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1C1CC1 ZINC000570583120 306545795 /nfs/dbraw/zinc/54/57/95/306545795.db2.gz VLBBPQJSYYKRLZ-FHKFTOANSA-N 2 0 331.464 1.474 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417748393 285320672 /nfs/dbraw/zinc/32/06/72/285320672.db2.gz IDLTZWPCTPFMHN-BBWFWOEESA-N 2 0 339.528 1.029 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000264278135 139392857 /nfs/dbraw/zinc/39/28/57/139392857.db2.gz QWFGVEDFLBQFHO-OAHLLOKOSA-N 2 0 330.476 1.827 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@@H]2CO)CC1 ZINC000264287336 139393717 /nfs/dbraw/zinc/39/37/17/139393717.db2.gz QHXOKTINVYSRTA-LJQANCHMSA-N 2 0 345.487 1.486 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC2)c1 ZINC000264324330 139397367 /nfs/dbraw/zinc/39/73/67/139397367.db2.gz VDZRSSAXOZQTEC-CQSZACIVSA-N 2 0 335.452 1.262 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H](C)O1 ZINC000415881398 304283908 /nfs/dbraw/zinc/28/39/08/304283908.db2.gz IFCALRHKMXJGFX-HUUCEWRRSA-N 2 0 346.475 1.953 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)C2CCCCC2)CC[NH2+]CC1 ZINC000571632890 306570335 /nfs/dbraw/zinc/57/03/35/306570335.db2.gz HGVRPTGBNRWWKO-HOCLYGCPSA-N 2 0 326.481 1.839 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H](O)CCc1ccccc1 ZINC000271052779 140227455 /nfs/dbraw/zinc/22/74/55/140227455.db2.gz TYECYQZJJSTPCU-LJQANCHMSA-N 2 0 349.519 1.712 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810303 140354339 /nfs/dbraw/zinc/35/43/39/140354339.db2.gz NASQBDORJZNMMZ-CVEARBPZSA-N 2 0 342.505 1.795 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC2=CC[N@H+](C)CC2)[NH+](C)C)c1 ZINC000272070494 140395710 /nfs/dbraw/zinc/39/57/10/140395710.db2.gz JNBLUWCJHQANIR-GOSISDBHSA-N 2 0 346.475 1.859 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000331369067 141012543 /nfs/dbraw/zinc/01/25/43/141012543.db2.gz CJNLGYBYJMJDKK-GFCCVEGCSA-N 2 0 343.880 1.561 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332531679 141197605 /nfs/dbraw/zinc/19/76/05/141197605.db2.gz HJUGQBKFNCTQOO-NKKGCODLSA-N 2 0 334.439 1.650 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333629421 141347374 /nfs/dbraw/zinc/34/73/74/141347374.db2.gz GIUJLRSTVOGRRK-CBZIJGRNSA-N 2 0 346.450 1.380 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000333786067 141381409 /nfs/dbraw/zinc/38/14/09/141381409.db2.gz FJJBQLLQDUUFQL-WBVHZDCISA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333811931 141385912 /nfs/dbraw/zinc/38/59/12/141385912.db2.gz FVRLYTIWEVSDTA-KBAYOESNSA-N 2 0 337.508 1.996 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000339908102 142196795 /nfs/dbraw/zinc/19/67/95/142196795.db2.gz JMUFRNFEIKAMCG-INIZCTEOSA-N 2 0 328.501 1.328 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000340228938 142313284 /nfs/dbraw/zinc/31/32/84/142313284.db2.gz PXZUPTVZHRIJEU-KRWDZBQOSA-N 2 0 337.489 1.643 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCOC2(C)C)CC1 ZINC000340256372 142321677 /nfs/dbraw/zinc/32/16/77/142321677.db2.gz GZHPFYNZHOMYQH-HNNXBMFYSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)n1cncn1 ZINC000340464452 142399521 /nfs/dbraw/zinc/39/95/21/142399521.db2.gz PIJLPJPGQRVZMP-HNNXBMFYSA-N 2 0 343.479 1.338 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000343498961 142852643 /nfs/dbraw/zinc/85/26/43/142852643.db2.gz VBJSSWVCTFBTOA-QGZVFWFLSA-N 2 0 337.508 1.727 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+](C)[C@H]2CCSC2)CC[N@@H+](C2CCC2)C1 ZINC000344717971 143002452 /nfs/dbraw/zinc/00/24/52/143002452.db2.gz CEWTXVHJEIIILC-ZBFHGGJFSA-N 2 0 325.522 1.757 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345096274 143049614 /nfs/dbraw/zinc/04/96/14/143049614.db2.gz AJKBOHQQOCKHQI-BRSBDYLESA-N 2 0 336.524 1.344 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1)[NH+](CC)CC ZINC000345316197 143076955 /nfs/dbraw/zinc/07/69/55/143076955.db2.gz IGIAWGILFOJEIS-GOSISDBHSA-N 2 0 338.540 1.593 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000345739110 143127465 /nfs/dbraw/zinc/12/74/65/143127465.db2.gz NIAMJLQABPVHOW-LSDHHAIUSA-N 2 0 326.485 1.221 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345764981 143130853 /nfs/dbraw/zinc/13/08/53/143130853.db2.gz LTNWSOIMIDYPCU-UHFFFAOYSA-N 2 0 328.416 1.555 20 0 EDADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000345765802 143131054 /nfs/dbraw/zinc/13/10/54/143131054.db2.gz MKVYUYARJCCVRS-GOSISDBHSA-N 3 0 340.556 1.983 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CCC[N@@H+]1C ZINC000345788084 143133533 /nfs/dbraw/zinc/13/35/33/143133533.db2.gz QVVBHIXIXMOCMJ-NVXWUHKLSA-N 2 0 339.528 1.137 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+](CC)CC ZINC000346127378 143170359 /nfs/dbraw/zinc/17/03/59/143170359.db2.gz VQLHEILIXPYMKM-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@@H+]1C[C@H](C)O ZINC000346227927 143181128 /nfs/dbraw/zinc/18/11/28/143181128.db2.gz YQWIYPRNILXRIL-YJBOKZPZSA-N 2 0 343.475 1.853 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1)N1CC[NH2+]CC1 ZINC000347025442 143273139 /nfs/dbraw/zinc/27/31/39/143273139.db2.gz SENNYYYZXSLOCB-INIZCTEOSA-N 2 0 327.432 1.207 20 0 EDADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000347183518 143292255 /nfs/dbraw/zinc/29/22/55/143292255.db2.gz XLDDOMKNRRYOGA-CQSZACIVSA-N 2 0 349.431 1.100 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416819350 304349884 /nfs/dbraw/zinc/34/98/84/304349884.db2.gz RWDPJVIOJJBSFG-INIZCTEOSA-N 2 0 340.512 1.838 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000416844786 304351348 /nfs/dbraw/zinc/35/13/48/304351348.db2.gz QMCJQBBJLSGSET-KGLIPLIRSA-N 2 0 338.477 1.254 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000416855519 304352084 /nfs/dbraw/zinc/35/20/84/304352084.db2.gz QEOSGNVSDLRDQC-WMLDXEAASA-N 2 0 334.464 1.726 20 0 EDADRP CCCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000416859432 304352394 /nfs/dbraw/zinc/35/23/94/304352394.db2.gz ZXUWLNRWUSTFKU-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000416863890 304353241 /nfs/dbraw/zinc/35/32/41/304353241.db2.gz HJDRWZBWUJZZLA-ZBFHGGJFSA-N 2 0 326.485 1.112 20 0 EDADRP COCC[NH2+]CCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000416899564 304354553 /nfs/dbraw/zinc/35/45/53/304354553.db2.gz UPSYEDBKXYVNGC-UHFFFAOYSA-N 2 0 334.464 1.318 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CO)C2)CC1 ZINC000352749253 149149161 /nfs/dbraw/zinc/14/91/61/149149161.db2.gz AIDSDCTVVSHDML-QGZVFWFLSA-N 2 0 345.487 1.390 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC([NH3+])(CC)CC)[NH+]1CCOCC1 ZINC000416963585 304356093 /nfs/dbraw/zinc/35/60/93/304356093.db2.gz VHFOIZNJXOTRRV-INIZCTEOSA-N 2 0 342.528 1.940 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnc(N(C)C)s2)CC1 ZINC000353350957 149376846 /nfs/dbraw/zinc/37/68/46/149376846.db2.gz MFQGSMVVVDHHKG-CYBMUJFWSA-N 2 0 326.510 1.734 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000416970468 304357370 /nfs/dbraw/zinc/35/73/70/304357370.db2.gz ATENUDZRPXSVJY-SFHVURJKSA-N 2 0 348.491 1.944 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416973242 304358302 /nfs/dbraw/zinc/35/83/02/304358302.db2.gz JOBADYGFLBICMG-MRXNPFEDSA-N 2 0 333.480 1.863 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000416973763 304358697 /nfs/dbraw/zinc/35/86/97/304358697.db2.gz VLVRTRPZWSGMOV-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP COCC1(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC[NH2+]CC1 ZINC000262339021 292218542 /nfs/dbraw/zinc/21/85/42/292218542.db2.gz GQRXOIGAGLFEBT-KRWDZBQOSA-N 2 0 333.476 1.942 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000416980218 304360480 /nfs/dbraw/zinc/36/04/80/304360480.db2.gz YICBVESTSBVXSX-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP CC[C@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)[NH+](CC)CC ZINC000354986552 150065887 /nfs/dbraw/zinc/06/58/87/150065887.db2.gz ZHJRXVWOFDIULP-FUHWJXTLSA-N 2 0 338.540 1.734 20 0 EDADRP CC[C@H](CCO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355206916 150165026 /nfs/dbraw/zinc/16/50/26/150165026.db2.gz RBCUWPVMWQSUTF-MRXNPFEDSA-N 2 0 349.479 1.054 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C[NH2+]1 ZINC000417038057 304364579 /nfs/dbraw/zinc/36/45/79/304364579.db2.gz UJOKFCUYJFSDHH-CVEARBPZSA-N 2 0 330.476 1.827 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000417042328 304365331 /nfs/dbraw/zinc/36/53/31/304365331.db2.gz NRYASKMJZVBZEO-CVEARBPZSA-N 2 0 333.480 1.104 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417044674 304366007 /nfs/dbraw/zinc/36/60/07/304366007.db2.gz NIJFGWICQILFGV-UONOGXRCSA-N 2 0 332.439 1.937 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1(SC)CC[NH+](C)CC1)C1CC1 ZINC000357730770 151128748 /nfs/dbraw/zinc/12/87/48/151128748.db2.gz OLSBWDMGRWOVJZ-UHFFFAOYSA-N 2 0 328.526 1.597 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357950374 151206969 /nfs/dbraw/zinc/20/69/69/151206969.db2.gz BZPZQTDECQQQEP-GDBMZVCRSA-N 2 0 330.542 1.843 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000358290794 151328117 /nfs/dbraw/zinc/32/81/17/151328117.db2.gz IJGDBVCFIGGKSI-IXDOHACOSA-N 2 0 340.512 1.347 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358508666 151399684 /nfs/dbraw/zinc/39/96/84/151399684.db2.gz LQGROLBKHIQEJZ-UHFFFAOYSA-N 2 0 331.460 1.525 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417114973 304373967 /nfs/dbraw/zinc/37/39/67/304373967.db2.gz OHGNNVIZLYDALB-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H](C[NH3+])C1CC1 ZINC000359899451 151855850 /nfs/dbraw/zinc/85/58/50/151855850.db2.gz NMGCOBMEWXYTAS-LJQANCHMSA-N 2 0 344.503 1.568 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CCCC1 ZINC000360382946 152014130 /nfs/dbraw/zinc/01/41/30/152014130.db2.gz FTUMHWYRTGFDAX-MRXNPFEDSA-N 2 0 328.526 1.597 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000360509447 152074213 /nfs/dbraw/zinc/07/42/13/152074213.db2.gz XTIFBSWYXVKBTM-INIZCTEOSA-N 2 0 345.491 1.583 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360659582 152142095 /nfs/dbraw/zinc/14/20/95/152142095.db2.gz YXGJLKIKFIJAFP-ZBFHGGJFSA-N 2 0 328.526 1.597 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360751700 152186174 /nfs/dbraw/zinc/18/61/74/152186174.db2.gz BTUYQHCGEJOPBK-INIZCTEOSA-N 2 0 328.526 1.407 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CCSC1 ZINC000360752590 152186918 /nfs/dbraw/zinc/18/69/18/152186918.db2.gz FOPYKBMQUMVBDB-GJZGRUSLSA-N 2 0 346.566 1.160 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000360793096 152207135 /nfs/dbraw/zinc/20/71/35/152207135.db2.gz CSMZCFKQSWCOTA-ZACQAIPSSA-N 2 0 342.528 1.763 20 0 EDADRP CN1CCO[C@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000360891471 152242502 /nfs/dbraw/zinc/24/25/02/152242502.db2.gz ZRGYINGURFCLBP-KRWDZBQOSA-N 2 0 335.423 1.237 20 0 EDADRP Cc1nc([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cs1 ZINC000361003083 152275424 /nfs/dbraw/zinc/27/54/24/152275424.db2.gz NAGPPQIQTKALNP-AWEZNQCLSA-N 2 0 326.510 1.492 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264649 152348610 /nfs/dbraw/zinc/34/86/10/152348610.db2.gz JJSYXJRMIPNLFA-ZIAGYGMSSA-N 2 0 342.447 1.549 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417152754 304378519 /nfs/dbraw/zinc/37/85/19/304378519.db2.gz IJLCFNJVWZXGLT-QAPCUYQASA-N 2 0 345.491 1.957 20 0 EDADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363735049 153041767 /nfs/dbraw/zinc/04/17/67/153041767.db2.gz VCQZXQOICMBUAR-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP CN(C(=O)N[C@@H]1CCSC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363820291 153065693 /nfs/dbraw/zinc/06/56/93/153065693.db2.gz MUJIKIYVBDRBKO-HIFRSBDPSA-N 2 0 326.510 1.302 20 0 EDADRP CN1CCO[C@@H](C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367201066 154039771 /nfs/dbraw/zinc/03/97/71/154039771.db2.gz QYDDWHIHRSSEFC-MJGOQNOKSA-N 2 0 331.460 1.345 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000417295968 304390221 /nfs/dbraw/zinc/39/02/21/304390221.db2.gz OYOWMOSYIAYFTI-SFHVURJKSA-N 2 0 330.476 1.935 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000367475807 154140914 /nfs/dbraw/zinc/14/09/14/154140914.db2.gz RPYSAUUXLIGLAS-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP CCOCCNC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367886822 154313186 /nfs/dbraw/zinc/31/31/86/154313186.db2.gz QYNMIESWBLASIC-UHFFFAOYSA-N 2 0 334.464 1.383 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000417476626 304398664 /nfs/dbraw/zinc/39/86/64/304398664.db2.gz DLQLXCYXUILXLS-QGZVFWFLSA-N 2 0 334.464 1.554 20 0 EDADRP Cc1nccc(N2CCN(C(=O)[C@@]3([NH+](C)C)CCCSC3)CC2)n1 ZINC000371898832 156159340 /nfs/dbraw/zinc/15/93/40/156159340.db2.gz ITOJSUGDYHXMGJ-QGZVFWFLSA-N 2 0 349.504 1.261 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C[C@H](C)O1 ZINC000371905983 156161242 /nfs/dbraw/zinc/16/12/42/156161242.db2.gz MFKMGVVHZFHDAR-GJZGRUSLSA-N 2 0 349.479 1.798 20 0 EDADRP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)N2CC[C@H]([NH+](C)C)C2)C1 ZINC000372037556 156219693 /nfs/dbraw/zinc/21/96/93/156219693.db2.gz NCMREBLZWWQOKC-HNNXBMFYSA-N 2 0 344.459 1.166 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000372381954 156362146 /nfs/dbraw/zinc/36/21/46/156362146.db2.gz AJMJIMTZZLMALC-MSOLQXFVSA-N 2 0 346.475 1.015 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417526251 304403345 /nfs/dbraw/zinc/40/33/45/304403345.db2.gz MNIBKKNHPZAUSK-CRAIPNDOSA-N 2 0 348.491 1.467 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000373919509 157063693 /nfs/dbraw/zinc/06/36/93/157063693.db2.gz IFSJSISRWFPXAP-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000378204038 158107929 /nfs/dbraw/zinc/10/79/29/158107929.db2.gz KNDWCKAREVVARA-IKGGRYGDSA-N 2 0 325.497 1.901 20 0 EDADRP CC[C@@H](C)[C@H](O)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378305338 158134711 /nfs/dbraw/zinc/13/47/11/158134711.db2.gz BNHGRKGYOFYSAY-QAPCUYQASA-N 2 0 339.524 1.706 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)ccn1 ZINC000378353534 158148138 /nfs/dbraw/zinc/14/81/38/158148138.db2.gz GBKUAQLRUDFYRN-RRQGHBQHSA-N 2 0 332.448 1.823 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)(C[NH+]3CCOCC3)CC2)CC1 ZINC000378460567 158180330 /nfs/dbraw/zinc/18/03/30/158180330.db2.gz IKLHJXNWDXESGX-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP [NH3+]C1(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000366350107 162377745 /nfs/dbraw/zinc/37/77/45/162377745.db2.gz ZLSXHJNQAKITGP-QZTJIDSGSA-N 2 0 343.471 1.100 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC[NH+]1CCCC1 ZINC000072826576 287257518 /nfs/dbraw/zinc/25/75/18/287257518.db2.gz GUHOTQUOFOYFFF-UHFFFAOYSA-N 2 0 330.476 1.411 20 0 EDADRP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000073641409 287262315 /nfs/dbraw/zinc/26/23/15/287262315.db2.gz QYILLTKXXPRZDQ-MRXNPFEDSA-N 2 0 332.492 1.362 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000073827307 287265259 /nfs/dbraw/zinc/26/52/59/287265259.db2.gz CTKVVEXLDOSALS-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119043567 287349434 /nfs/dbraw/zinc/34/94/34/287349434.db2.gz NPNWCDTVMTYYNT-UHFFFAOYSA-N 3 0 341.544 1.242 20 0 EDADRP C[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)CN1CCOCC1 ZINC000121950329 287376377 /nfs/dbraw/zinc/37/63/77/287376377.db2.gz UQCWDCPKSSNCPW-KLAILNCOSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000123203865 287386422 /nfs/dbraw/zinc/38/64/22/287386422.db2.gz SXNZHGGJTAGDKH-PMPSAXMXSA-N 2 0 340.512 1.658 20 0 EDADRP CCS(=O)(=O)NCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122079877 222010172 /nfs/dbraw/zinc/01/01/72/222010172.db2.gz XREMIRUWDIQTDM-UHFFFAOYSA-N 2 0 331.526 1.514 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130677997 287497264 /nfs/dbraw/zinc/49/72/64/287497264.db2.gz VNBZBMBCALRMOE-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+](CCc1ccc(Br)cc1)CCN1CC[NH2+]CC1 ZINC000258917707 273016972 /nfs/dbraw/zinc/01/69/72/273016972.db2.gz NEZJRRAITQVUOY-UHFFFAOYSA-N 2 0 326.282 1.829 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000237851480 267930468 /nfs/dbraw/zinc/93/04/68/267930468.db2.gz SRPIKXIWCMHHHI-ZWKOTPCHSA-N 2 0 337.508 1.855 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000273293424 268017533 /nfs/dbraw/zinc/01/75/33/268017533.db2.gz YODLKFBDWBPWHN-AWEZNQCLSA-N 2 0 334.464 1.906 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273033667 273025070 /nfs/dbraw/zinc/02/50/70/273025070.db2.gz FADMLEQVZKSJEB-WMZOPIPTSA-N 2 0 331.460 1.345 20 0 EDADRP CCCC[N@H+](CCCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274671065 268180294 /nfs/dbraw/zinc/18/02/94/268180294.db2.gz SLFUKRBRKXBEFW-GOSISDBHSA-N 2 0 335.492 1.890 20 0 EDADRP COC(=O)CNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274814382 268212410 /nfs/dbraw/zinc/21/24/10/268212410.db2.gz IMLTUFVIEKGJGI-RDJZCZTQSA-N 2 0 347.459 1.166 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000274919048 268238308 /nfs/dbraw/zinc/23/83/08/268238308.db2.gz JBIUNGRTCZVIEQ-YJBOKZPZSA-N 2 0 347.503 1.689 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274193819 273076442 /nfs/dbraw/zinc/07/64/42/273076442.db2.gz GJCYYZNQVRHUMX-SCTDSRPQSA-N 2 0 345.487 1.591 20 0 EDADRP Cc1cc(C)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000104102488 272919305 /nfs/dbraw/zinc/91/93/05/272919305.db2.gz WCPLYCMXFCDPGR-UHFFFAOYSA-N 2 0 341.521 1.726 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccoc2)n1 ZINC000108278170 272921901 /nfs/dbraw/zinc/92/19/01/272921901.db2.gz LUCDGEAHZLFBQB-UHFFFAOYSA-N 2 0 336.461 1.969 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000276319736 273159838 /nfs/dbraw/zinc/15/98/38/273159838.db2.gz WLKGHYMBWNLAHO-GOSISDBHSA-N 2 0 348.491 1.263 20 0 EDADRP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351851 274193674 /nfs/dbraw/zinc/19/36/74/274193674.db2.gz XVPZFCJYPPWOTM-WMZOPIPTSA-N 2 0 342.487 1.334 20 0 EDADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000354212739 276425280 /nfs/dbraw/zinc/42/52/80/276425280.db2.gz SGBJKWQRYTZNAV-UPTPFMHGSA-N 2 0 326.481 1.935 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)[C@H]2CCC[C@H]21 ZINC000353596378 277171834 /nfs/dbraw/zinc/17/18/34/277171834.db2.gz QHNRLOSRMKKTGG-LUYZLQTOSA-N 2 0 331.464 1.007 20 0 EDADRP COC1(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000165126692 277180135 /nfs/dbraw/zinc/18/01/35/277180135.db2.gz FUWYFXWPDDHBKI-HZPDHXFCSA-N 2 0 325.497 1.629 20 0 EDADRP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)NC4CC[NH+](C5CC5)CC4)[C@H]1[C@H]3C2 ZINC000352676858 277316143 /nfs/dbraw/zinc/31/61/43/277316143.db2.gz URKQKGBSNNTQFK-IENPJVBLSA-N 2 0 333.476 1.085 20 0 EDADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000286185439 287955433 /nfs/dbraw/zinc/95/54/33/287955433.db2.gz RMZCTBVINXGWPN-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417025438 278244337 /nfs/dbraw/zinc/24/43/37/278244337.db2.gz RCLWRNLRDYXARG-FUHWJXTLSA-N 2 0 347.507 1.259 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000105169889 278275304 /nfs/dbraw/zinc/27/53/04/278275304.db2.gz LWGXNGSPEKDBNA-RDJZCZTQSA-N 2 0 332.492 1.941 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351772008 278857318 /nfs/dbraw/zinc/85/73/18/278857318.db2.gz XQMBHUKYLFKFPA-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424159451 279329856 /nfs/dbraw/zinc/32/98/56/279329856.db2.gz VKLNIUFBROMSJD-YXWQFLTLSA-N 2 0 331.464 1.087 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343374850 279356403 /nfs/dbraw/zinc/35/64/03/279356403.db2.gz UTOVTVUYFIEHLL-IEBWSBKVSA-N 2 0 349.523 1.505 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417753070 279358604 /nfs/dbraw/zinc/35/86/04/279358604.db2.gz NXFZEMCVYNMXKI-DLBZAZTESA-N 2 0 341.544 1.275 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343862326 279361708 /nfs/dbraw/zinc/36/17/08/279361708.db2.gz OHVMDSCXDMCZHB-IXDOHACOSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000342341749 288126810 /nfs/dbraw/zinc/12/68/10/288126810.db2.gz CBRLHQMMCIRYTN-DJIMGWMZSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000268139993 288130494 /nfs/dbraw/zinc/13/04/94/288130494.db2.gz QSGHNYVZHPCUFP-HHXXYDBFSA-N 2 0 344.503 1.941 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000238044864 279791976 /nfs/dbraw/zinc/79/19/76/279791976.db2.gz ZENKTPZLXAYPDP-HZPDHXFCSA-N 2 0 325.522 1.949 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000354016290 280322730 /nfs/dbraw/zinc/32/27/30/280322730.db2.gz YOQADPUGFPQREU-RDJZCZTQSA-N 2 0 325.497 1.770 20 0 EDADRP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@@H](C)O ZINC000168008210 280390606 /nfs/dbraw/zinc/39/06/06/280390606.db2.gz MREKRBZYKSKVJP-HZPDHXFCSA-N 2 0 348.491 1.330 20 0 EDADRP C[C@H](NC(=O)NCCCN1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287425892 288235573 /nfs/dbraw/zinc/23/55/73/288235573.db2.gz YSIJNPBSMAFLAV-WMZOPIPTSA-N 2 0 348.491 1.699 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000290137267 288846304 /nfs/dbraw/zinc/84/63/04/288846304.db2.gz KJSZMJJPXPEWLD-AEFFLSMTSA-N 2 0 333.476 1.877 20 0 EDADRP COCCOCc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000290198396 288856599 /nfs/dbraw/zinc/85/65/99/288856599.db2.gz UMHMSWOLEARFPE-SFHVURJKSA-N 2 0 349.519 1.965 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000173935045 289186100 /nfs/dbraw/zinc/18/61/00/289186100.db2.gz QZIATXSAZNMQRF-INIZCTEOSA-N 2 0 344.463 1.869 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000360754280 289341511 /nfs/dbraw/zinc/34/15/11/289341511.db2.gz LRNZAOVKLKMUDV-GDBMZVCRSA-N 2 0 326.510 1.303 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)CC1 ZINC000293296625 289574953 /nfs/dbraw/zinc/57/49/53/289574953.db2.gz HMSACLKFONZANB-MOPGFXCFSA-N 2 0 342.487 1.258 20 0 EDADRP COc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c(OC)c1 ZINC000261929035 295128993 /nfs/dbraw/zinc/12/89/93/295128993.db2.gz CNBYANZAJOIHGX-HNNXBMFYSA-N 2 0 335.448 1.523 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]1CCCCC1 ZINC000262754757 295382968 /nfs/dbraw/zinc/38/29/68/295382968.db2.gz DACKRWDILLWONQ-NVXWUHKLSA-N 2 0 349.475 1.702 20 0 EDADRP O=C(N1CC[C@H](C[NH+]2CCCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262385166 295581093 /nfs/dbraw/zinc/58/10/93/295581093.db2.gz XJXABIQVGPJOHL-QGZVFWFLSA-N 2 0 345.491 1.296 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423413975 297095326 /nfs/dbraw/zinc/09/53/26/297095326.db2.gz BJOKJNXSSICYCK-QLFBSQMISA-N 2 0 331.464 1.196 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261874886 297250049 /nfs/dbraw/zinc/25/00/49/297250049.db2.gz SSOWCOFFYUGWIN-JRPNMDOOSA-N 2 0 340.265 1.819 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000418590740 304515601 /nfs/dbraw/zinc/51/56/01/304515601.db2.gz BSBMBZLUXQVLDA-DOTOQJQBSA-N 2 0 348.491 1.909 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000418841000 304539592 /nfs/dbraw/zinc/53/95/92/304539592.db2.gz FYHFJLCEGIUUFX-DOTOQJQBSA-N 2 0 346.475 1.006 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000418933459 304552526 /nfs/dbraw/zinc/55/25/26/304552526.db2.gz IZOQYHCDOIFXFS-HZPDHXFCSA-N 2 0 340.512 1.058 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000419735726 304675034 /nfs/dbraw/zinc/67/50/34/304675034.db2.gz WFKDQSODXZSKLA-LSDHHAIUSA-N 2 0 346.475 1.039 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000666925759 453252775 /nfs/dbraw/zinc/25/27/75/453252775.db2.gz DIJASWWPLQMUII-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293777245 303016950 /nfs/dbraw/zinc/01/69/50/303016950.db2.gz BOYJZPAZMKQGEP-UHFFFAOYSA-N 2 0 348.491 1.723 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000294286878 303086784 /nfs/dbraw/zinc/08/67/84/303086784.db2.gz TVZDKZKRSBEZPI-QGZVFWFLSA-N 2 0 332.448 1.277 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)ccc21 ZINC000295124882 303176019 /nfs/dbraw/zinc/17/60/19/303176019.db2.gz NUMVBTSXHWSWTG-IBGZPJMESA-N 2 0 326.444 1.816 20 0 EDADRP OC[C@@H]1CC[NH+](Cc2cc(Cl)cc(C[N@H+]3CC[C@@H](CO)C3)c2)C1 ZINC000295142139 303178534 /nfs/dbraw/zinc/17/85/34/303178534.db2.gz ZSDRRJDNDDRGQU-HUUCEWRRSA-N 2 0 338.879 1.968 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)C2CC3CC(C2)CC1C3 ZINC000333590753 303358219 /nfs/dbraw/zinc/35/82/19/303358219.db2.gz VCXNPOKYZCMIKO-CAWLCXJGSA-N 2 0 332.492 1.535 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)NC(=O)NCc1ccccc1)CC1CCCC1 ZINC000352487901 303375878 /nfs/dbraw/zinc/37/58/78/303375878.db2.gz JWOMCJDBBFNUFK-UHFFFAOYSA-N 2 0 346.475 1.853 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377741405 447330940 /nfs/dbraw/zinc/33/09/40/447330940.db2.gz FHHGWORVIAWYPD-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCOCC1 ZINC000299555439 303627884 /nfs/dbraw/zinc/62/78/84/303627884.db2.gz MAORKWACLHKMAY-UHFFFAOYSA-N 2 0 347.463 1.072 20 0 EDADRP COc1cc(Br)ccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414865340 447334561 /nfs/dbraw/zinc/33/45/61/447334561.db2.gz KUTIAWMCLZMXLL-UHFFFAOYSA-N 2 0 328.254 1.453 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333940243 303789880 /nfs/dbraw/zinc/78/98/80/303789880.db2.gz NWLPUPNSSUVHEO-AWEZNQCLSA-N 2 0 326.510 1.399 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000423086570 304885258 /nfs/dbraw/zinc/88/52/58/304885258.db2.gz NMTNCIROSYQRJV-UHFFFAOYSA-N 2 0 340.512 1.010 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423210142 304889551 /nfs/dbraw/zinc/88/95/51/304889551.db2.gz VYCMVCNJAWWZCJ-JTQLQIEISA-N 2 0 331.233 1.539 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000423300593 304891676 /nfs/dbraw/zinc/89/16/76/304891676.db2.gz RZHMEKMHCTXREW-UHFFFAOYSA-N 2 0 346.475 1.826 20 0 EDADRP CC(C)(C)[C@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@@H]1O ZINC000423879008 304912929 /nfs/dbraw/zinc/91/29/29/304912929.db2.gz RTAKSBMBTLUDEM-HOTGVXAUSA-N 2 0 325.497 1.445 20 0 EDADRP COCC[NH2+]CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000423888095 304913531 /nfs/dbraw/zinc/91/35/31/304913531.db2.gz HEJJQDPISBHQCL-KRWDZBQOSA-N 2 0 335.448 1.184 20 0 EDADRP CS(=O)(=O)CC1(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CCC1 ZINC000425896391 304976347 /nfs/dbraw/zinc/97/63/47/304976347.db2.gz OVMQJLOVPAZMAU-UHFFFAOYSA-N 2 0 341.477 1.446 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003526 305022107 /nfs/dbraw/zinc/02/21/07/305022107.db2.gz IQLBGUJCMKTFKB-SGYMCOKNSA-N 2 0 339.524 1.119 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CCN3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677828 305034853 /nfs/dbraw/zinc/03/48/53/305034853.db2.gz DFQKKOOYKGBFCZ-ROUUACIJSA-N 2 0 339.524 1.530 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)NCCCN1CCCCCC1=O ZINC000430571336 305056366 /nfs/dbraw/zinc/05/63/66/305056366.db2.gz COTHZIUBMTXKGS-MRXNPFEDSA-N 2 0 340.512 1.201 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430610975 305058824 /nfs/dbraw/zinc/05/88/24/305058824.db2.gz MXBVHLDRGBVKDP-GFCCVEGCSA-N 2 0 327.831 1.809 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430673888 305062071 /nfs/dbraw/zinc/06/20/71/305062071.db2.gz HBOUAMHDGYLDAW-IXDOHACOSA-N 2 0 325.497 1.629 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000430701334 305062725 /nfs/dbraw/zinc/06/27/25/305062725.db2.gz DLCCNDNURCZYDE-RTBURBONSA-N 2 0 345.487 1.564 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)CC1 ZINC000430750380 305063990 /nfs/dbraw/zinc/06/39/90/305063990.db2.gz ZITIXDXBDAWPQR-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430867959 305066368 /nfs/dbraw/zinc/06/63/68/305066368.db2.gz MBHMLNWJCHLWCK-INIZCTEOSA-N 2 0 332.448 1.102 20 0 EDADRP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1[NH3+] ZINC000430937694 305069527 /nfs/dbraw/zinc/06/95/27/305069527.db2.gz DOTDGWLUQKQVPU-LPHOPBHVSA-N 2 0 344.503 1.568 20 0 EDADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000430950760 305070419 /nfs/dbraw/zinc/07/04/19/305070419.db2.gz SESHXVONEYGKJA-LLVKDONJSA-N 2 0 338.839 1.309 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000431063320 305073978 /nfs/dbraw/zinc/07/39/78/305073978.db2.gz ZUCMLZIWONUTKP-NXHRZFHOSA-N 2 0 331.460 1.707 20 0 EDADRP C[C@@H](CNC(=O)C[C@H](c1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000431801452 305083055 /nfs/dbraw/zinc/08/30/55/305083055.db2.gz ZZBAANFDMNZYBO-FUHWJXTLSA-N 2 0 332.492 1.432 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(-n3cccn3)nc2)CC1 ZINC000433127987 305101269 /nfs/dbraw/zinc/10/12/69/305101269.db2.gz VEXHYNMLWDPNNV-UHFFFAOYSA-N 2 0 328.420 1.409 20 0 EDADRP COC(=O)[C@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433141152 305101611 /nfs/dbraw/zinc/10/16/11/305101611.db2.gz MLXRHMNIAYLQPZ-KRWDZBQOSA-N 2 0 347.459 1.090 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)OCO2 ZINC000433145763 305101814 /nfs/dbraw/zinc/10/18/14/305101814.db2.gz RRPLHAYGPUHSSA-ZDUSSCGKSA-N 2 0 333.432 1.796 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000433156957 305101983 /nfs/dbraw/zinc/10/19/83/305101983.db2.gz DLIJKAHDNFIMFN-RBUKOAKNSA-N 2 0 346.519 1.712 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)Nc1ccccc1 ZINC000433162407 305102120 /nfs/dbraw/zinc/10/21/20/305102120.db2.gz ZRRZOTSLPMCXPS-CQSZACIVSA-N 2 0 332.448 1.333 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433287128 305104934 /nfs/dbraw/zinc/10/49/34/305104934.db2.gz KWTGDDOZQINOAY-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CCc1cccc(OCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436049637 305151280 /nfs/dbraw/zinc/15/12/80/305151280.db2.gz LZBGIFUOQMABPB-KRWDZBQOSA-N 2 0 333.476 1.947 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]CCC2CC[NH+](C)CC2)c1C ZINC000438200028 305182827 /nfs/dbraw/zinc/18/28/27/305182827.db2.gz JLLPMPKXFSGPQY-UHFFFAOYSA-N 2 0 336.480 1.885 20 0 EDADRP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000443234293 305237291 /nfs/dbraw/zinc/23/72/91/305237291.db2.gz FLXFNSGWHWZBDH-XJKSGUPXSA-N 2 0 330.542 1.699 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](C(C)C)C2)C1 ZINC000444772751 305252648 /nfs/dbraw/zinc/25/26/48/305252648.db2.gz ORUCXHOZBWIJCU-MSOLQXFVSA-N 2 0 339.524 1.827 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449325755 305311438 /nfs/dbraw/zinc/31/14/38/305311438.db2.gz PGZXGNFGZRINDW-IBGZPJMESA-N 2 0 331.460 1.146 20 0 EDADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C[C@@H](O)CN2CCOCC2)CC1 ZINC000451889202 305372064 /nfs/dbraw/zinc/37/20/64/305372064.db2.gz JYQFXYSVMKANIC-QGZVFWFLSA-N 2 0 341.540 1.512 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009523 305377973 /nfs/dbraw/zinc/37/79/73/305377973.db2.gz UVIBHURAHIPLPD-JKSUJKDBSA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1CCC[NH+]1CCCO)[N@H+](C)Cc1ccccc1 ZINC000452365115 305393196 /nfs/dbraw/zinc/39/31/96/305393196.db2.gz NIMLJQXFNKUUGA-OALUTQOASA-N 2 0 347.503 1.860 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892764 447352532 /nfs/dbraw/zinc/35/25/32/447352532.db2.gz ACAWTAMHXAIVEK-RTBURBONSA-N 2 0 348.491 1.609 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000496607137 305671443 /nfs/dbraw/zinc/67/14/43/305671443.db2.gz LKUXUQLWIXNJFU-UHFFFAOYSA-N 2 0 329.485 1.726 20 0 EDADRP C[NH+](C)CC1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497105719 305683763 /nfs/dbraw/zinc/68/37/63/305683763.db2.gz HTIDQDZWQPRULO-JTTJXQCZSA-N 2 0 343.512 1.972 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000515004423 305712193 /nfs/dbraw/zinc/71/21/93/305712193.db2.gz RPJBAWKDPUMVDT-BZSNNMDCSA-N 2 0 330.476 1.940 20 0 EDADRP COC(=O)COC[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000515458644 305722076 /nfs/dbraw/zinc/72/20/76/305722076.db2.gz PXCOLXRFHVUXBI-AEFFLSMTSA-N 2 0 349.475 1.143 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000516458876 305736913 /nfs/dbraw/zinc/73/69/13/305736913.db2.gz OJJGHBNYLIEXTE-YIOZNXECSA-N 2 0 335.492 1.510 20 0 EDADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000516762827 305741208 /nfs/dbraw/zinc/74/12/08/305741208.db2.gz QVXUVDUBJXUDAT-RHSMWYFYSA-N 2 0 337.439 1.020 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000521582883 305790659 /nfs/dbraw/zinc/79/06/59/305790659.db2.gz UYTODCGCPAZHSX-MOPGFXCFSA-N 2 0 341.459 1.986 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000528711684 305886308 /nfs/dbraw/zinc/88/63/08/305886308.db2.gz FCJPKOHAUQOFRW-MRXNPFEDSA-N 2 0 328.416 1.647 20 0 EDADRP C[C@]1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000529335448 305910037 /nfs/dbraw/zinc/91/00/37/305910037.db2.gz QZEZERVDUFVZJM-WMZOPIPTSA-N 2 0 338.496 1.176 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000425938320 447364504 /nfs/dbraw/zinc/36/45/04/447364504.db2.gz WVOSLJPFACYWBA-CABCVRRESA-N 2 0 341.496 1.354 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238007 305935405 /nfs/dbraw/zinc/93/54/05/305935405.db2.gz ILVRJCDBJFLAHV-KBAYOESNSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1[C@H](C)C1CC1 ZINC000538621467 306031214 /nfs/dbraw/zinc/03/12/14/306031214.db2.gz DCRPINBRXYTZRB-OAHLLOKOSA-N 2 0 335.496 1.728 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000414943265 447367667 /nfs/dbraw/zinc/36/76/67/447367667.db2.gz FFOSMKDSZQUMAV-HOTGVXAUSA-N 2 0 332.448 1.334 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000545986628 306089105 /nfs/dbraw/zinc/08/91/05/306089105.db2.gz LHMSOVIQPIQEMU-FQEVSTJZSA-N 2 0 345.487 1.568 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659446 306187271 /nfs/dbraw/zinc/18/72/71/306187271.db2.gz YQRWSTDGYARVHT-KZGGZSBBSA-N 2 0 336.480 1.465 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NCCCCn1ccnc1)[N@@H+]1CCC[C@H](C)C1 ZINC000556642574 306212438 /nfs/dbraw/zinc/21/24/38/306212438.db2.gz UQRZHLABBNKDHO-HOTGVXAUSA-N 2 0 349.479 1.016 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NC[C@H]1CCC[NH2+]C1 ZINC000557197041 306226247 /nfs/dbraw/zinc/22/62/47/306226247.db2.gz NLUDPCBMRJNPIH-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP COCC1(C[NH2+]Cc2cc(OC)c3c(c2)OCCO3)CC[NH2+]CC1 ZINC000414955395 447371779 /nfs/dbraw/zinc/37/17/79/447371779.db2.gz MYPGQANLPLYWRI-UHFFFAOYSA-N 2 0 336.432 1.572 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]CC2(COC)CC[NH2+]CC2)cn1 ZINC000414970758 447380466 /nfs/dbraw/zinc/38/04/66/447380466.db2.gz HVKFEVSJFXOMHK-UHFFFAOYSA-N 2 0 336.480 1.270 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)(C)C[NH+](C)C ZINC000414981273 447383061 /nfs/dbraw/zinc/38/30/61/447383061.db2.gz WWQWXBIALPNPDP-GFCCVEGCSA-N 2 0 332.448 1.321 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497909 447389253 /nfs/dbraw/zinc/38/92/53/447389253.db2.gz HWQWKGDWYOABPF-GDBMZVCRSA-N 2 0 328.526 1.455 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000419796330 447417170 /nfs/dbraw/zinc/41/71/70/447417170.db2.gz NZCZGIFEWXPGNX-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCCC2)c1 ZINC000415425653 447426765 /nfs/dbraw/zinc/42/67/65/447426765.db2.gz LLTQGXGDIYOFTR-QGZVFWFLSA-N 2 0 346.475 1.711 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000080245360 441153960 /nfs/dbraw/zinc/15/39/60/441153960.db2.gz IURXGRDVHNAOOJ-OAHLLOKOSA-N 2 0 335.496 1.247 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000105082569 441231606 /nfs/dbraw/zinc/23/16/06/441231606.db2.gz IJLLINPOZHZZRM-GOSISDBHSA-N 2 0 332.492 1.800 20 0 EDADRP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C1CC1 ZINC000105102652 441233713 /nfs/dbraw/zinc/23/37/13/441233713.db2.gz VBCCSEDNHYBEEQ-KFWWJZLASA-N 2 0 326.485 1.268 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000072085639 441205030 /nfs/dbraw/zinc/20/50/30/441205030.db2.gz ZHQPVLMYENSVNX-HZPDHXFCSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)C1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)CC1 ZINC000104846916 441215172 /nfs/dbraw/zinc/21/51/72/441215172.db2.gz CWPYRACXLNRBGQ-LJQANCHMSA-N 2 0 345.487 1.737 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000105233300 441244477 /nfs/dbraw/zinc/24/44/77/441244477.db2.gz GFWGVJHERDAYCL-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP COc1cc2c(cc1C[NH2+]CCCN1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000072786266 441259183 /nfs/dbraw/zinc/25/91/83/441259183.db2.gz DSSIKRORDIEIEN-HNNXBMFYSA-N 2 0 333.476 1.746 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073013047 441286225 /nfs/dbraw/zinc/28/62/25/441286225.db2.gz RNBZJCGWSSAPNG-QGZVFWFLSA-N 2 0 330.476 1.267 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000073247671 441304111 /nfs/dbraw/zinc/30/41/11/441304111.db2.gz SRPMNEQZVYSEAH-UHFFFAOYSA-N 2 0 344.419 1.054 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243144 441304179 /nfs/dbraw/zinc/30/41/79/441304179.db2.gz BHFRGRZRCLRQGY-SFHVURJKSA-N 2 0 346.475 1.743 20 0 EDADRP CCO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000074604958 441448977 /nfs/dbraw/zinc/44/89/77/441448977.db2.gz VZHWXDUAAOGRAV-CVEARBPZSA-N 2 0 340.512 1.469 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000052210032 441440241 /nfs/dbraw/zinc/44/02/41/441440241.db2.gz OOWXQVPLYGLOFA-UHFFFAOYSA-N 2 0 338.496 1.761 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000074676118 441455854 /nfs/dbraw/zinc/45/58/54/441455854.db2.gz FWVDSFLJXCCGGQ-GOSISDBHSA-N 2 0 338.540 1.785 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000074676468 441456168 /nfs/dbraw/zinc/45/61/68/441456168.db2.gz UTQQWCQCLKAERK-KRWDZBQOSA-N 2 0 346.519 1.752 20 0 EDADRP CCOC[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000113504345 441611402 /nfs/dbraw/zinc/61/14/02/441611402.db2.gz MRMCQVOKGPVHSM-LJQANCHMSA-N 2 0 335.492 1.133 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C(=O)OC ZINC000056524346 441723135 /nfs/dbraw/zinc/72/31/35/441723135.db2.gz ITJGTYMRUSXVPQ-YOEHRIQHSA-N 2 0 341.496 1.354 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536811 441782878 /nfs/dbraw/zinc/78/28/78/441782878.db2.gz PGINQVMBRGAYAE-HNNXBMFYSA-N 2 0 349.479 1.265 20 0 EDADRP CCC[C@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)[NH+](C)C ZINC000092430206 441797976 /nfs/dbraw/zinc/79/79/76/441797976.db2.gz RZLOICJBZQAFOQ-NVXWUHKLSA-N 2 0 337.464 1.657 20 0 EDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000092433413 441798312 /nfs/dbraw/zinc/79/83/12/441798312.db2.gz ZMMYDGIJYHOITP-UHFFFAOYSA-N 2 0 346.475 1.331 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000077542664 441802789 /nfs/dbraw/zinc/80/27/89/441802789.db2.gz YCRQHJKPRVDOIG-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908029 441859884 /nfs/dbraw/zinc/85/98/84/441859884.db2.gz LPECWKACPDWABQ-ROUUACIJSA-N 2 0 336.476 1.846 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000077654782 441823940 /nfs/dbraw/zinc/82/39/40/441823940.db2.gz VWABKOPUWHRCHP-UHFFFAOYSA-N 2 0 349.523 1.523 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CC1 ZINC000077758583 441849285 /nfs/dbraw/zinc/84/92/85/441849285.db2.gz UXCZWWXPUMGZFS-UHFFFAOYSA-N 2 0 332.492 1.853 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077775214 441857085 /nfs/dbraw/zinc/85/70/85/441857085.db2.gz ZSQBKVVPJWGHED-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP COC(=O)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123323588 441882727 /nfs/dbraw/zinc/88/27/27/441882727.db2.gz YZPZRJLGIKSGMA-CZUORRHYSA-N 2 0 333.432 1.826 20 0 EDADRP C[C@@H]1C[C@H](N(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123437490 441887112 /nfs/dbraw/zinc/88/71/12/441887112.db2.gz WFZMBRQGXVSNDS-RHSMWYFYSA-N 2 0 346.475 1.741 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078030122 441896529 /nfs/dbraw/zinc/89/65/29/441896529.db2.gz KXTIVKRGHADVAN-QGZVFWFLSA-N 2 0 347.507 1.440 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000119611615 441942928 /nfs/dbraw/zinc/94/29/28/441942928.db2.gz XNLKTHWHXJVIRO-INIZCTEOSA-N 2 0 340.489 1.684 20 0 EDADRP CC[C@]1(C(=O)N[C@@H](C)CN2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000119759909 441950366 /nfs/dbraw/zinc/95/03/66/441950366.db2.gz FARZAXSUCJWHMY-PXNSSMCTSA-N 2 0 344.503 1.703 20 0 EDADRP CC[C@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)[NH+](C)C ZINC000124811807 441955729 /nfs/dbraw/zinc/95/57/29/441955729.db2.gz AVFRBDUPWCHQHN-LJQANCHMSA-N 2 0 346.519 1.781 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174720070 441958961 /nfs/dbraw/zinc/95/89/61/441958961.db2.gz WTLPMPJDKVFBNG-UHFFFAOYSA-N 2 0 332.492 1.458 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723403 441959855 /nfs/dbraw/zinc/95/98/55/441959855.db2.gz UFJZBJWFVLMXFM-KZNAEPCWSA-N 2 0 338.540 1.639 20 0 EDADRP CC(C)N(C)C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289400 442032779 /nfs/dbraw/zinc/03/27/79/442032779.db2.gz YVFSLOREDLRVJR-MRXNPFEDSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)n1 ZINC000162285772 442079791 /nfs/dbraw/zinc/07/97/91/442079791.db2.gz QASDBODSTSCEJB-SFHVURJKSA-N 2 0 341.459 1.263 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000151829355 442126829 /nfs/dbraw/zinc/12/68/29/442126829.db2.gz WLFLNZDSYCSVDE-OAHLLOKOSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1n[nH]c2ccccc21 ZINC000120794825 442134393 /nfs/dbraw/zinc/13/43/93/442134393.db2.gz KRMSGUQOZZELFW-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP CC[NH+]1CCC(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000120907471 442149919 /nfs/dbraw/zinc/14/99/19/442149919.db2.gz QEXQHUAFFUEIIO-UHFFFAOYSA-N 2 0 345.491 1.194 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000162483908 442097570 /nfs/dbraw/zinc/09/75/70/442097570.db2.gz YZIUUWDJTCKFSZ-GOSISDBHSA-N 3 0 348.535 1.915 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCCC2)cc1 ZINC000163498818 442169518 /nfs/dbraw/zinc/16/95/18/442169518.db2.gz GRQKGHOGNNVRME-GOSISDBHSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC1Cc2ccccc2C1 ZINC000127102995 442171167 /nfs/dbraw/zinc/17/11/67/442171167.db2.gz WSAGGMWKPIHOHK-UHFFFAOYSA-N 2 0 346.519 1.926 20 0 EDADRP C[C@@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000175965517 442155234 /nfs/dbraw/zinc/15/52/34/442155234.db2.gz PJJNFHRHRFIIHK-QFBILLFUSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000127630010 442216471 /nfs/dbraw/zinc/21/64/71/442216471.db2.gz IAJFTEMXWBLQFV-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3CC[NH2+]CC3)ccc2oc1=O ZINC000166617062 442217599 /nfs/dbraw/zinc/21/75/99/442217599.db2.gz YCWHKATZLYRFAR-UHFFFAOYSA-N 2 0 332.404 1.094 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCCC[NH+]1CCOCC1 ZINC000176403102 442218434 /nfs/dbraw/zinc/21/84/34/442218434.db2.gz VXODFLVKOMNYTF-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000168985054 442225209 /nfs/dbraw/zinc/22/52/09/442225209.db2.gz CWLQCVHRMVNWGS-AWEZNQCLSA-N 2 0 327.519 1.909 20 0 EDADRP COC1(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC[NH2+]CC1 ZINC000169079559 442226131 /nfs/dbraw/zinc/22/61/31/442226131.db2.gz CATOUXDUAMGQEN-CQSZACIVSA-N 2 0 341.402 1.452 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[NH+](C)C)CC1 ZINC000170773842 442261577 /nfs/dbraw/zinc/26/15/77/442261577.db2.gz HCJGBMNBWBFTKH-CQSZACIVSA-N 2 0 336.455 1.706 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CCCN(c2ccccn2)C1)[N@H+](C)C1CC1 ZINC000129162850 442304268 /nfs/dbraw/zinc/30/42/68/442304268.db2.gz BOZVKNPRFQAJAF-LSDHHAIUSA-N 2 0 331.464 1.832 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)c2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000128639282 442279369 /nfs/dbraw/zinc/27/93/69/442279369.db2.gz JMSMXXCFESQKTJ-HOTGVXAUSA-N 2 0 333.476 1.977 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000177057026 442291298 /nfs/dbraw/zinc/29/12/98/442291298.db2.gz GVHUVYPCYQARSG-KFWWJZLASA-N 2 0 327.469 1.105 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000130728905 442354596 /nfs/dbraw/zinc/35/45/96/442354596.db2.gz CFLVKAJALIACCI-INMHGKMJSA-N 2 0 338.496 1.364 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(O)C2)CC1 ZINC000177978693 442398959 /nfs/dbraw/zinc/39/89/59/442398959.db2.gz BWQMRQLXPSEUSA-FQEVSTJZSA-N 2 0 345.487 1.532 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)N(C3CC3)C2)cc1 ZINC000177996559 442400155 /nfs/dbraw/zinc/40/01/55/442400155.db2.gz GSNGYPMWWURVBQ-HUUCEWRRSA-N 2 0 337.489 1.488 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178689304 442457226 /nfs/dbraw/zinc/45/72/26/442457226.db2.gz OMWWBUAPMCTAKT-QGZVFWFLSA-N 2 0 335.517 1.890 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000172613101 442504164 /nfs/dbraw/zinc/50/41/64/442504164.db2.gz OLXYMPIHFZIKIJ-SFHVURJKSA-N 2 0 333.476 1.835 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000186324920 442512403 /nfs/dbraw/zinc/51/24/03/442512403.db2.gz BTAGPICGUJSEDQ-IAGOWNOFSA-N 2 0 326.481 1.255 20 0 EDADRP C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000192514258 442656070 /nfs/dbraw/zinc/65/60/70/442656070.db2.gz TXOUGLDEGYLTIP-QFBILLFUSA-N 2 0 334.460 1.912 20 0 EDADRP COCCOC[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192748207 442682963 /nfs/dbraw/zinc/68/29/63/442682963.db2.gz ZNXZPEHZRPMGHC-SFHVURJKSA-N 2 0 327.513 1.387 20 0 EDADRP COC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000187746445 442690192 /nfs/dbraw/zinc/69/01/92/442690192.db2.gz PDWYPRVSPUNITL-ROUUACIJSA-N 2 0 327.513 1.290 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188061372 442706496 /nfs/dbraw/zinc/70/64/96/442706496.db2.gz BWJMMTNTPUQSEL-MAUKXSAKSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000188142559 442716044 /nfs/dbraw/zinc/71/60/44/442716044.db2.gz UTPLVAZTPUSWSD-GJZGRUSLSA-N 2 0 331.464 1.294 20 0 EDADRP CC[C@H]([NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)C(N)=O ZINC000181636476 442708056 /nfs/dbraw/zinc/70/80/56/442708056.db2.gz OGGZNSIVQIEBCH-BBRMVZONSA-N 2 0 336.455 1.882 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)ncn1 ZINC000246499110 442786805 /nfs/dbraw/zinc/78/68/05/442786805.db2.gz SKLVSHHZLSPFBK-ZJIFWQFVSA-N 2 0 332.496 1.805 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[NH+](C)C)cc1 ZINC000188734582 442799156 /nfs/dbraw/zinc/79/91/56/442799156.db2.gz OJFPOENREWQSOP-INIZCTEOSA-N 2 0 327.432 1.397 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000247047212 442830856 /nfs/dbraw/zinc/83/08/56/442830856.db2.gz SGTFYXCUZVGQNF-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1 ZINC000182794835 442827275 /nfs/dbraw/zinc/82/72/75/442827275.db2.gz GWEMYFNVHOCMJE-CQSZACIVSA-N 2 0 326.485 1.665 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](CC3CC3)CC2)ccn1 ZINC000183117230 442883098 /nfs/dbraw/zinc/88/30/98/442883098.db2.gz XXDKEWPOPQMBIB-UHFFFAOYSA-N 2 0 332.448 1.190 20 0 EDADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)CC1 ZINC000248670199 442916124 /nfs/dbraw/zinc/91/61/24/442916124.db2.gz QDIHGRIILCYBJD-VIHIWDAPSA-N 2 0 338.492 1.887 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000189486569 318565625 /nfs/dbraw/zinc/56/56/25/318565625.db2.gz GYDZTNQMOVHTJB-UHFFFAOYSA-N 2 0 348.491 1.877 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000249204678 442960799 /nfs/dbraw/zinc/96/07/99/442960799.db2.gz VMOKVEKILCFDHD-WOJBJXKFSA-N 2 0 348.487 1.784 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000249301340 442965549 /nfs/dbraw/zinc/96/55/49/442965549.db2.gz HEMGMAKCBYIHBB-IJEWVQPXSA-N 2 0 331.526 1.509 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000194582807 318591922 /nfs/dbraw/zinc/59/19/22/318591922.db2.gz NKKWDHVGYDQDSA-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141785 442988459 /nfs/dbraw/zinc/98/84/59/442988459.db2.gz AHMPRSBBNLGPOR-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@]1(CO)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000189682096 442993414 /nfs/dbraw/zinc/99/34/14/442993414.db2.gz RTXVETITGJTXCS-PKOBYXMFSA-N 2 0 333.476 1.642 20 0 EDADRP COC[C@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249940872 443009561 /nfs/dbraw/zinc/00/95/61/443009561.db2.gz SZUWOYPJDPPYHU-CRAIPNDOSA-N 2 0 333.476 1.756 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)O1 ZINC000190590123 443143542 /nfs/dbraw/zinc/14/35/42/443143542.db2.gz JNKCFZHFDYJAJQ-RDJZCZTQSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000227931971 443124079 /nfs/dbraw/zinc/12/40/79/443124079.db2.gz LBLMGVQAZNDHAC-JJRVBVJISA-N 2 0 329.485 1.725 20 0 EDADRP C[C@H]1CN(C)CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735079 443166532 /nfs/dbraw/zinc/16/65/32/443166532.db2.gz LFWKKPQHSDHZTA-NHYWBVRUSA-N 2 0 340.265 1.786 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc21 ZINC000261757979 443168277 /nfs/dbraw/zinc/16/82/77/443168277.db2.gz LODMDUGCIGYWJA-WBVHZDCISA-N 2 0 330.432 1.648 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262267799 443188052 /nfs/dbraw/zinc/18/80/52/443188052.db2.gz MRTWQFBSNKBIHR-HOTGVXAUSA-N 2 0 333.480 1.198 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237037385 443156732 /nfs/dbraw/zinc/15/67/32/443156732.db2.gz QZHKREDTDPGWPI-HNNXBMFYSA-N 2 0 348.516 1.780 20 0 EDADRP CN(C)Cc1nc(C(C)(C)NC(=O)CC[C@@H]([NH3+])c2ccccc2)no1 ZINC000237061577 443158432 /nfs/dbraw/zinc/15/84/32/443158432.db2.gz KBEKCTFIEQABAG-CQSZACIVSA-N 2 0 345.447 1.963 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000261635230 443161891 /nfs/dbraw/zinc/16/18/91/443161891.db2.gz CCJATALBUGBMBK-RCCFBDPRSA-N 2 0 331.460 1.694 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262982763 443220647 /nfs/dbraw/zinc/22/06/47/443220647.db2.gz YYLKJFMHAGZQLP-AWEZNQCLSA-N 2 0 325.478 1.440 20 0 EDADRP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000269185252 443225923 /nfs/dbraw/zinc/22/59/23/443225923.db2.gz JFEZYPDIWITLRC-LPHOPBHVSA-N 2 0 344.503 1.552 20 0 EDADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269194880 443228545 /nfs/dbraw/zinc/22/85/45/443228545.db2.gz LDJKBZWTPMOEKU-DLBZAZTESA-N 2 0 345.491 1.098 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226762 443240727 /nfs/dbraw/zinc/24/07/27/443240727.db2.gz AKFCCYKINJSXRR-YJBOKZPZSA-N 2 0 330.432 1.074 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000269230359 443241829 /nfs/dbraw/zinc/24/18/29/443241829.db2.gz CMIGVDQMEKIDJW-SFHVURJKSA-N 2 0 347.459 1.208 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000269228281 443241858 /nfs/dbraw/zinc/24/18/58/443241858.db2.gz GKCRXLDFTADVIA-QZTJIDSGSA-N 2 0 347.459 1.327 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000269228280 443241879 /nfs/dbraw/zinc/24/18/79/443241879.db2.gz GKCRXLDFTADVIA-MSOLQXFVSA-N 2 0 347.459 1.327 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262656744 443206437 /nfs/dbraw/zinc/20/64/37/443206437.db2.gz VAQNBPWWGMCBMU-SQNIBIBYSA-N 2 0 338.540 1.402 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262656920 443206557 /nfs/dbraw/zinc/20/65/57/443206557.db2.gz CYEFTJQXRDWXMB-OAHLLOKOSA-N 2 0 325.497 1.772 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])C(C)C)cc1 ZINC000269250699 443251397 /nfs/dbraw/zinc/25/13/97/443251397.db2.gz SMNFXCNBYNTNOM-MRXNPFEDSA-N 2 0 334.464 1.680 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000411555390 319184332 /nfs/dbraw/zinc/18/43/32/319184332.db2.gz GVMWAMSYDJVABL-IAGOWNOFSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411741166 319199534 /nfs/dbraw/zinc/19/95/34/319199534.db2.gz ZFTOAQUKXURRQX-QGZVFWFLSA-N 2 0 334.508 1.853 20 0 EDADRP Cc1cn(C)nc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000411805199 319205704 /nfs/dbraw/zinc/20/57/04/319205704.db2.gz ZFIOKQGYEWCPKG-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC3(CCC3)CC2)CC1 ZINC000411870430 319210764 /nfs/dbraw/zinc/21/07/64/319210764.db2.gz ORQIPTCCXAEDID-UHFFFAOYSA-N 2 0 325.522 1.949 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CN1CCOCC1 ZINC000413545931 319275239 /nfs/dbraw/zinc/27/52/39/319275239.db2.gz RLMNCSXBRNBPTC-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413849945 319293460 /nfs/dbraw/zinc/29/34/60/319293460.db2.gz ZHIZFIAWTYOLRZ-IAGOWNOFSA-N 3 0 339.528 1.138 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2Cc3ccccc3C2)(N2CCOCC2)CC1 ZINC000414202160 319319200 /nfs/dbraw/zinc/31/92/00/319319200.db2.gz UEOSJBWGWPCKCL-UHFFFAOYSA-N 2 0 329.488 1.540 20 0 EDADRP Cc1cccc(CN2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414672629 319339189 /nfs/dbraw/zinc/33/91/89/319339189.db2.gz BANYJGSOBVVNDP-IBGZPJMESA-N 2 0 344.503 1.310 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000414692319 319343560 /nfs/dbraw/zinc/34/35/60/319343560.db2.gz ATZDRCUZECQKGB-CQSZACIVSA-N 2 0 332.448 1.193 20 0 EDADRP Cc1cccc(C)c1OCCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415087582 319346421 /nfs/dbraw/zinc/34/64/21/319346421.db2.gz WEQXYAVEXYDCOF-KRWDZBQOSA-N 2 0 333.476 1.859 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000415904166 319383139 /nfs/dbraw/zinc/38/31/39/319383139.db2.gz GHIMEGJOGDCKDC-QGZVFWFLSA-N 2 0 346.475 1.982 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415963641 319385719 /nfs/dbraw/zinc/38/57/19/319385719.db2.gz RNBKCCZQJWCPJU-OAHLLOKOSA-N 2 0 349.479 1.378 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415997739 319388460 /nfs/dbraw/zinc/38/84/60/319388460.db2.gz SBZFUJXRVBFZRO-CHWSQXEVSA-N 2 0 332.370 1.868 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000246017765 443263255 /nfs/dbraw/zinc/26/32/55/443263255.db2.gz MTLPLPBUXASPKT-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000416851893 319466524 /nfs/dbraw/zinc/46/65/24/319466524.db2.gz RWVHNXRWQYMKJP-ZWKOTPCHSA-N 2 0 332.492 1.800 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000416887052 319469402 /nfs/dbraw/zinc/46/94/02/319469402.db2.gz HRBPZQFIXMJMNQ-MSOLQXFVSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000272463449 443327233 /nfs/dbraw/zinc/32/72/33/443327233.db2.gz OTAIKBJFUKPVJI-QYZOEREBSA-N 2 0 344.503 1.895 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000278602966 443374657 /nfs/dbraw/zinc/37/46/57/443374657.db2.gz IXAIFIHGPBXVHP-KRWDZBQOSA-N 2 0 331.460 1.870 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419005146 319540120 /nfs/dbraw/zinc/54/01/20/319540120.db2.gz RRCRZBPULWFXCB-QGZVFWFLSA-N 2 0 346.475 1.041 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+])CC(C)C ZINC000419123901 319558436 /nfs/dbraw/zinc/55/84/36/319558436.db2.gz HHEBRSVOPJJQME-PMPSAXMXSA-N 2 0 340.512 1.103 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)CC(C)C ZINC000419123985 319558586 /nfs/dbraw/zinc/55/85/86/319558586.db2.gz HWZHGRDICGUAPX-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000419237867 319574607 /nfs/dbraw/zinc/57/46/07/319574607.db2.gz PCTPDWDNNMDHEE-GDBMZVCRSA-N 2 0 338.496 1.095 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000267319060 443416486 /nfs/dbraw/zinc/41/64/86/443416486.db2.gz NFRLSFDSNKFTTM-CQSZACIVSA-N 2 0 334.464 1.452 20 0 EDADRP O=C1[C@@H]([NH+]2CCC([C@H]3CC[NH2+]C3)CC2)CCCN1CC(F)(F)F ZINC000420315446 319609503 /nfs/dbraw/zinc/60/95/03/319609503.db2.gz MGKRMFOUUIOORX-KBPBESRZSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000264736593 443397852 /nfs/dbraw/zinc/39/78/52/443397852.db2.gz FVNVLXDHIBLMCP-FUHWJXTLSA-N 2 0 332.492 1.432 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](c2ccco2)N(C)C)CC[NH2+]CC1 ZINC000422966396 319742661 /nfs/dbraw/zinc/74/26/61/319742661.db2.gz RHFYYKIPIIXUQO-HUUCEWRRSA-N 2 0 337.464 1.793 20 0 EDADRP CC[C@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422968317 319743060 /nfs/dbraw/zinc/74/30/60/319743060.db2.gz WIFAPEPJXYNIKT-HOTGVXAUSA-N 2 0 331.526 1.557 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)CC[NH2+]CC1 ZINC000423016423 319746373 /nfs/dbraw/zinc/74/63/73/319746373.db2.gz SWDRZQLZHGRLSO-ZYHUDNBSSA-N 2 0 326.359 1.211 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423309477 319763195 /nfs/dbraw/zinc/76/31/95/319763195.db2.gz LLFZJOSMOQTUDO-UHFFFAOYSA-N 2 0 344.463 1.399 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cn2)CC1 ZINC000423734572 319808542 /nfs/dbraw/zinc/80/85/42/319808542.db2.gz RAWCZJBPDZIDGU-CRAIPNDOSA-N 2 0 331.464 1.680 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272282528 443578885 /nfs/dbraw/zinc/57/88/85/443578885.db2.gz BVOQZKGQORUEEP-ROUUACIJSA-N 2 0 330.476 1.984 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC(Cn3cccn3)CC2)CC1 ZINC000433143752 319971806 /nfs/dbraw/zinc/97/18/06/319971806.db2.gz ISAUTFDHYLZGTA-UHFFFAOYSA-N 2 0 333.480 1.325 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000439955847 320055674 /nfs/dbraw/zinc/05/56/74/320055674.db2.gz FOVPXQHKVWAASD-FUHWJXTLSA-N 2 0 335.492 1.574 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276200615 443668451 /nfs/dbraw/zinc/66/84/51/443668451.db2.gz YLBFQSCATZUMGY-UHFFFAOYSA-N 2 0 336.480 1.168 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449364658 320185060 /nfs/dbraw/zinc/18/50/60/320185060.db2.gz OAABTAVFFZWPNE-BBWFWOEESA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000449522015 320193520 /nfs/dbraw/zinc/19/35/20/320193520.db2.gz KDWNAQJHYOMDAD-AZUAARDMSA-N 2 0 328.504 1.964 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711509 320339208 /nfs/dbraw/zinc/33/92/08/320339208.db2.gz FOYGQIWKYMZPNG-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC(C)(C)CCC[NH+](C)C)CCCO1 ZINC000458733417 320339765 /nfs/dbraw/zinc/33/97/65/320339765.db2.gz SXTFJDJFOFNGQR-MRXNPFEDSA-N 2 0 342.528 1.907 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458851735 320342944 /nfs/dbraw/zinc/34/29/44/320342944.db2.gz VEOBHXOEDWVWHV-UHFFFAOYSA-N 2 0 326.485 1.082 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000458852793 320343194 /nfs/dbraw/zinc/34/31/94/320343194.db2.gz NYSJYZHXDXYFIM-IRXDYDNUSA-N 2 0 340.512 1.349 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000276299523 443684165 /nfs/dbraw/zinc/68/41/65/443684165.db2.gz QPLNGHVGIBHNDO-LJQANCHMSA-N 2 0 342.487 1.946 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000512421206 320428373 /nfs/dbraw/zinc/42/83/73/320428373.db2.gz HXUKZYVBEGOGEQ-ULQDDVLXSA-N 2 0 339.528 1.137 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000515347670 320432848 /nfs/dbraw/zinc/43/28/48/320432848.db2.gz GZBJIDIIAMLFSX-OTWHNJEPSA-N 2 0 333.476 1.105 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000516179326 320433653 /nfs/dbraw/zinc/43/36/53/320433653.db2.gz LPYHPJKYWPEHCH-UHFFFAOYSA-N 2 0 347.463 1.970 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000519592179 320467908 /nfs/dbraw/zinc/46/79/08/320467908.db2.gz JUMLCHVKTNDSFC-HUUCEWRRSA-N 2 0 336.505 1.922 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)n(C)c1C ZINC000291048854 443741140 /nfs/dbraw/zinc/74/11/40/443741140.db2.gz MNPHTCCXJGKKOZ-AWEZNQCLSA-N 2 0 336.480 1.236 20 0 EDADRP COC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000280710809 443741677 /nfs/dbraw/zinc/74/16/77/443741677.db2.gz JFIREPFOJBWVGU-OIISXLGYSA-N 2 0 347.459 1.146 20 0 EDADRP O=C(N1CCN(CCc2cccs2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280919873 443774478 /nfs/dbraw/zinc/77/44/78/443774478.db2.gz TYNUKAUHFDHINZ-QAPCUYQASA-N 2 0 333.501 1.825 20 0 EDADRP COc1cc(C[NH+]2CC[C@@](C)(O)C2)cc(C[N@@H+]2CC[C@](C)(O)C2)c1 ZINC000292751617 443835059 /nfs/dbraw/zinc/83/50/59/443835059.db2.gz WWPRYVSIJVRHCU-KDURUIRLSA-N 2 0 334.460 1.609 20 0 EDADRP COCc1ccccc1CNC(=O)CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292832525 443853941 /nfs/dbraw/zinc/85/39/41/443853941.db2.gz AODJGXKCDMZLCS-HXUWFJFHSA-N 2 0 345.487 1.867 20 0 EDADRP OC[C@H]1CCCCN1c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ncn1 ZINC000277300320 443956441 /nfs/dbraw/zinc/95/64/41/443956441.db2.gz BWCHXARKLPBVAO-HZPDHXFCSA-N 2 0 329.448 1.278 20 0 EDADRP CC[NH+](CC)CCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299118380 443959964 /nfs/dbraw/zinc/95/99/64/443959964.db2.gz ZUCSGRJVFUCABW-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000299530244 444071575 /nfs/dbraw/zinc/07/15/75/444071575.db2.gz NANRVJOVZJEOHP-RTBURBONSA-N 2 0 344.503 1.576 20 0 EDADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000562293966 321050230 /nfs/dbraw/zinc/05/02/30/321050230.db2.gz PSIQMNKFYIXPBY-ZWKOTPCHSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986941 321085019 /nfs/dbraw/zinc/08/50/19/321085019.db2.gz DJGXQSQWZPWBHA-HLLBOEOZSA-N 2 0 327.513 1.309 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)COC1CCOCC1 ZINC000562985521 321085133 /nfs/dbraw/zinc/08/51/33/321085133.db2.gz LJXZRWXCIMTHRR-IBGZPJMESA-N 2 0 348.487 1.929 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000563060634 321091927 /nfs/dbraw/zinc/09/19/27/321091927.db2.gz UNMFYZPFRHSPJV-CVEARBPZSA-N 2 0 348.495 1.415 20 0 EDADRP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1(C[NH3+])CCC1 ZINC000563713888 321112771 /nfs/dbraw/zinc/11/27/71/321112771.db2.gz GZLGLJWOEQLTAS-UHFFFAOYSA-N 2 0 330.476 1.387 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000565357414 321182748 /nfs/dbraw/zinc/18/27/48/321182748.db2.gz SZBZMZUPAREJMX-MAUKXSAKSA-N 2 0 330.476 1.820 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000565366087 321184018 /nfs/dbraw/zinc/18/40/18/321184018.db2.gz NUNRZDOJGYRIQZ-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP O=C(C[NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)N1CC[NH2+]CC1 ZINC000566088349 321214340 /nfs/dbraw/zinc/21/43/40/321214340.db2.gz VQCKAHMOHFSUMO-CQSZACIVSA-N 2 0 342.365 1.499 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000568288196 321286160 /nfs/dbraw/zinc/28/61/60/321286160.db2.gz XBUSLUJPFYPAGM-OALUTQOASA-N 2 0 344.503 1.944 20 0 EDADRP CCn1ccnc1CN(C(=O)CC[NH2+]C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000568395947 321289952 /nfs/dbraw/zinc/28/99/52/321289952.db2.gz IRESUIYLDDOODI-INIZCTEOSA-N 2 0 347.507 1.762 20 0 EDADRP C[N@@H+]1CCC[C@H](CN[C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185114 321320483 /nfs/dbraw/zinc/32/04/83/321320483.db2.gz QRUHQKXGRAOXPX-GDBMZVCRSA-N 2 0 326.448 1.971 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCc3ccccc3F)CC2)C1 ZINC000569218254 321321838 /nfs/dbraw/zinc/32/18/38/321321838.db2.gz XSWFMYWSVQHGHJ-SJLPKXTDSA-N 2 0 349.450 1.660 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000571148201 321374941 /nfs/dbraw/zinc/37/49/41/321374941.db2.gz BNMSWZZLGPXHHW-YPMHNXCESA-N 2 0 342.390 1.633 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)N1CCO[C@H](CC)C1 ZINC000571429288 321386873 /nfs/dbraw/zinc/38/68/73/321386873.db2.gz MKGSXDSBOQIWFI-BBWFWOEESA-N 2 0 325.497 1.866 20 0 EDADRP O=C(c1ccc2c(c1)OCO2)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000571540880 321391019 /nfs/dbraw/zinc/39/10/19/321391019.db2.gz DPTJXLNFXKLHQR-OAHLLOKOSA-N 2 0 345.443 1.563 20 0 EDADRP COc1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)ccn1 ZINC000573458667 321455301 /nfs/dbraw/zinc/45/53/01/321455301.db2.gz CBCALCWZNDKKSB-MRXNPFEDSA-N 2 0 348.491 1.537 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000294918659 444157313 /nfs/dbraw/zinc/15/73/13/444157313.db2.gz CLPOVZZDXAKNPI-SFHVURJKSA-N 2 0 333.476 1.954 20 0 EDADRP CCc1cc(N(C)C[C@H](O)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000302696224 444220480 /nfs/dbraw/zinc/22/04/80/444220480.db2.gz WLQKYRVOFCMMJJ-KRWDZBQOSA-N 2 0 342.487 1.842 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000304762894 444253011 /nfs/dbraw/zinc/25/30/11/444253011.db2.gz WDSXMNNMYJIZDQ-LJQANCHMSA-N 2 0 345.487 1.569 20 0 EDADRP [NH3+]CC1(CC(=O)N(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000576637716 321583374 /nfs/dbraw/zinc/58/33/74/321583374.db2.gz CGKPZSJQUIMENT-CYBMUJFWSA-N 2 0 334.489 1.743 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000290211857 444254699 /nfs/dbraw/zinc/25/46/99/444254699.db2.gz SDLHJOZOEOFTNJ-ZWKOTPCHSA-N 2 0 330.476 1.761 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290046038 444234658 /nfs/dbraw/zinc/23/46/58/444234658.db2.gz RHEGNCBUXURRKZ-FQEVSTJZSA-N 2 0 346.519 1.475 20 0 EDADRP Cc1cc(CNC(=O)NC[C@@H]2CCC[N@H+]2C)cc(N2CCCC2)n1 ZINC000290694466 444311468 /nfs/dbraw/zinc/31/14/68/444311468.db2.gz JIHGOVICGLWWEL-INIZCTEOSA-N 2 0 331.464 1.884 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000290756983 444319808 /nfs/dbraw/zinc/31/98/08/444319808.db2.gz ZBSOPYDHVSGXOC-ZWKOTPCHSA-N 2 0 330.476 1.796 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC000339989562 444349610 /nfs/dbraw/zinc/34/96/10/444349610.db2.gz NNIJPYMSRCUHAC-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP O=C(CN1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000324721654 444357949 /nfs/dbraw/zinc/35/79/49/444357949.db2.gz DUIHVIXHHFSSJJ-UHFFFAOYSA-N 2 0 330.476 1.194 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCCN(C=O)CC3)c2cc1C ZINC000297757205 444329680 /nfs/dbraw/zinc/32/96/80/444329680.db2.gz UQLTXPWOVZDPGV-MRXNPFEDSA-N 2 0 330.432 1.178 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065385 322004034 /nfs/dbraw/zinc/00/40/34/322004034.db2.gz USHVKSWAQVJXJG-JZXOWHBKSA-N 2 0 327.513 1.167 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccc(Cl)cc1 ZINC000580293206 322032161 /nfs/dbraw/zinc/03/21/61/322032161.db2.gz LTVXMXCPABJUKU-IJEWVQPXSA-N 2 0 336.867 1.804 20 0 EDADRP C[C@H](CNC(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000580300204 322032833 /nfs/dbraw/zinc/03/28/33/322032833.db2.gz YWWCEVVCPMUKRT-OAHLLOKOSA-N 2 0 330.476 1.732 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C[NH3+])C3CC3)c(C)c2)CC1 ZINC000580821318 322099428 /nfs/dbraw/zinc/09/94/28/322099428.db2.gz VSADDJGIGMDQRG-SFHVURJKSA-N 2 0 345.491 1.996 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000580960707 322118324 /nfs/dbraw/zinc/11/83/24/322118324.db2.gz ANYSHKFMTFUSAH-SQNIBIBYSA-N 2 0 336.524 1.345 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(=O)n3ccccc3n2)CC1 ZINC000581012601 322124693 /nfs/dbraw/zinc/12/46/93/322124693.db2.gz JEABPDHLNXLFMD-QAPCUYQASA-N 2 0 328.416 1.023 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)C1 ZINC000581478367 322182067 /nfs/dbraw/zinc/18/20/67/322182067.db2.gz GWSGYNCQEGWQBU-LSDHHAIUSA-N 2 0 326.485 1.135 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597161 322196639 /nfs/dbraw/zinc/19/66/39/322196639.db2.gz KPSQMZRPCOHEGD-DLBZAZTESA-N 2 0 332.448 1.020 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000581886763 322228711 /nfs/dbraw/zinc/22/87/11/322228711.db2.gz RLIHNOOKDNWQBI-SJORKVTESA-N 2 0 345.491 1.322 20 0 EDADRP CNC(=O)[C@H](CCSC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000342323467 444629961 /nfs/dbraw/zinc/62/99/61/444629961.db2.gz OGVGQTJPHUKMGD-HNNXBMFYSA-N 2 0 333.461 1.533 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000332940902 444604912 /nfs/dbraw/zinc/60/49/12/444604912.db2.gz IRVHYZYSHROYJM-GOEBONIOSA-N 2 0 338.496 1.004 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000338300358 444618358 /nfs/dbraw/zinc/61/83/58/444618358.db2.gz GWOOLHNMGGJXBY-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000333555844 444680583 /nfs/dbraw/zinc/68/05/83/444680583.db2.gz KUBMFFNMRQLKMT-CTWPCTMYSA-N 2 0 342.487 1.034 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000333888828 444708609 /nfs/dbraw/zinc/70/86/09/444708609.db2.gz XTEYXYKCJSFKNY-CRAIPNDOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000343995169 444716036 /nfs/dbraw/zinc/71/60/36/444716036.db2.gz PFXGHBDPUCYBQC-QAETUUGQSA-N 2 0 338.496 1.364 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000341189248 444718499 /nfs/dbraw/zinc/71/84/99/444718499.db2.gz IXPNCUKMHDZLQG-UHFFFAOYSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333939291 444724329 /nfs/dbraw/zinc/72/43/29/444724329.db2.gz NDMIYOOVJYWXSD-GASCZTMLSA-N 2 0 338.496 1.127 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccco2)C1 ZINC000344079929 444770209 /nfs/dbraw/zinc/77/02/09/444770209.db2.gz GRTSGNNFEMKWAT-QGZVFWFLSA-N 2 0 337.464 1.669 20 0 EDADRP CC[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@@H](C)O ZINC000334102915 444780789 /nfs/dbraw/zinc/78/07/89/444780789.db2.gz WYNJIBOTXJBGAS-YDZMOUMUSA-N 2 0 338.496 1.098 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1CC ZINC000342650456 444796846 /nfs/dbraw/zinc/79/68/46/444796846.db2.gz JOWCQKGQFPYAJW-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000336878481 444824381 /nfs/dbraw/zinc/82/43/81/444824381.db2.gz FQAVWYNPXYKQHH-OAFZBRQQSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000344219666 444845683 /nfs/dbraw/zinc/84/56/83/444845683.db2.gz ZJAKKRNIIZIOEU-IAGOWNOFSA-N 3 0 326.529 1.449 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+]3CCC2CC3)Cc2ccccc2C1 ZINC000341549853 444889199 /nfs/dbraw/zinc/88/91/99/444889199.db2.gz MYRLLZDVMOXYHU-UHFFFAOYSA-N 2 0 342.487 1.575 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)CCOC)CC1 ZINC000344340241 444905632 /nfs/dbraw/zinc/90/56/32/444905632.db2.gz LVSDRTBLDXJRQB-LJQANCHMSA-N 2 0 335.492 1.706 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337031423 444908540 /nfs/dbraw/zinc/90/85/40/444908540.db2.gz GFCXMKFALFBIBV-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000344422455 444958928 /nfs/dbraw/zinc/95/89/28/444958928.db2.gz HCWUGBDNUWMBEC-PBHICJAKSA-N 2 0 346.475 1.328 20 0 EDADRP CC[C@H](C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[NH+](C)C ZINC000338970009 444961295 /nfs/dbraw/zinc/96/12/95/444961295.db2.gz LQZHEQCFXLHTBK-MRXNPFEDSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061305 445013918 /nfs/dbraw/zinc/01/39/18/445013918.db2.gz HMUKWPXXGNMFPT-UZLBHIALSA-N 2 0 349.494 1.829 20 0 EDADRP CCc1cc(OC)ccc1C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000337347604 445042312 /nfs/dbraw/zinc/04/23/12/445042312.db2.gz XSCJJKIXVYIDMR-QGZVFWFLSA-N 2 0 333.476 1.935 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343150513 445098899 /nfs/dbraw/zinc/09/88/99/445098899.db2.gz KJPDTUIEIJHNLD-ZACQAIPSSA-N 2 0 336.524 1.249 20 0 EDADRP C[C@@H]1CN(c2ccccn2)C[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000345209941 445173599 /nfs/dbraw/zinc/17/35/99/445173599.db2.gz PWCHJMRDGVIHPT-LTIDMASMSA-N 2 0 330.476 1.953 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000343218200 445145105 /nfs/dbraw/zinc/14/51/05/445145105.db2.gz SDNAJLPKOOEJAQ-SJORKVTESA-N 2 0 335.517 1.713 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000346182824 445207866 /nfs/dbraw/zinc/20/78/66/445207866.db2.gz DXXYGNJBGGBHPH-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)C[C@@H](O)C(F)(F)F)CCCN1C ZINC000346932178 445228256 /nfs/dbraw/zinc/22/82/56/445228256.db2.gz PXDOEOBYRMTDLG-YUTCNCBUSA-N 2 0 334.386 1.658 20 0 EDADRP CN(CC(=O)N1CCCCC1)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346929082 445228459 /nfs/dbraw/zinc/22/84/59/445228459.db2.gz NKYZTQDKXQZIPY-VQIMIIECSA-N 2 0 347.507 1.747 20 0 EDADRP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102380 445268972 /nfs/dbraw/zinc/26/89/72/445268972.db2.gz NKJPXYNRTUGVCS-IXDOHACOSA-N 2 0 337.487 1.749 20 0 EDADRP O=C1[C@H]([N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCN1C1CC1 ZINC000348307424 445250434 /nfs/dbraw/zinc/25/04/34/445250434.db2.gz PCBKFIQIYOEPNY-ZIFCJYIRSA-N 2 0 325.456 1.814 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@@H+]1C ZINC000343619079 445265957 /nfs/dbraw/zinc/26/59/57/445265957.db2.gz JQPKDBOCBXIIEF-YJBOKZPZSA-N 2 0 348.491 1.909 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSCC[C@@H]2C)C1 ZINC000348187993 445310418 /nfs/dbraw/zinc/31/04/18/445310418.db2.gz QVPWXODBKAUGFQ-HOTGVXAUSA-N 2 0 343.537 1.287 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351772007 445316025 /nfs/dbraw/zinc/31/60/25/445316025.db2.gz XQMBHUKYLFKFPA-CVEARBPZSA-N 2 0 340.512 1.022 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000351708510 445284828 /nfs/dbraw/zinc/28/48/28/445284828.db2.gz XOMMVRGNUYTUPD-DOTOQJQBSA-N 2 0 325.497 1.865 20 0 EDADRP CC1CC[NH+](CC(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000354669252 445333178 /nfs/dbraw/zinc/33/31/78/445333178.db2.gz KIXUQLAFKMFCIW-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351863713 445347316 /nfs/dbraw/zinc/34/73/16/445347316.db2.gz UQUKAPDKPPTVHA-CABCVRRESA-N 2 0 344.459 1.811 20 0 EDADRP COc1cc(OC)c(NC(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000351864507 445347381 /nfs/dbraw/zinc/34/73/81/445347381.db2.gz YIWPUSAGZDINBG-QWRGUYRKSA-N 2 0 341.839 1.965 20 0 EDADRP CC[C@@H]1C[C@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCO1 ZINC000356968113 445352161 /nfs/dbraw/zinc/35/21/61/445352161.db2.gz QDXJWTDWPXEZDS-NVXWUHKLSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000359643360 445353413 /nfs/dbraw/zinc/35/34/13/445353413.db2.gz DDWLLPLLPKEKCT-IBGZPJMESA-N 2 0 333.476 1.724 20 0 EDADRP CN1CCO[C@H](C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)C1 ZINC000359660797 445362173 /nfs/dbraw/zinc/36/21/73/445362173.db2.gz XDWWVRXCPRLIRB-QYZOEREBSA-N 2 0 343.471 1.298 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)cn2)CC1 ZINC000362476036 445401786 /nfs/dbraw/zinc/40/17/86/445401786.db2.gz DXUVFYFIHDRQAP-NVXWUHKLSA-N 2 0 345.491 1.037 20 0 EDADRP COCc1ccc(CNC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000357090070 445420805 /nfs/dbraw/zinc/42/08/05/445420805.db2.gz QVTJGYSQIKBWQR-IBGZPJMESA-N 2 0 345.487 1.771 20 0 EDADRP CN(C(=O)CCOC1C[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000349027369 445480508 /nfs/dbraw/zinc/48/05/08/445480508.db2.gz MLUHSGIBNMORSS-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP Cc1c(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cnn1C ZINC000348898118 445433516 /nfs/dbraw/zinc/43/35/16/445433516.db2.gz WSGARSKSTKELFG-UHFFFAOYSA-N 2 0 347.507 1.543 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352006971 445433684 /nfs/dbraw/zinc/43/36/84/445433684.db2.gz WNBNATGPCRMRPJ-UHFFFAOYSA-N 2 0 328.359 1.802 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000362563815 445441848 /nfs/dbraw/zinc/44/18/48/445441848.db2.gz CWWQGZSGTUOZIH-CABCVRRESA-N 2 0 331.464 1.435 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000348951338 445452441 /nfs/dbraw/zinc/45/24/41/445452441.db2.gz VHZSIGSRFXPMBG-DOTOQJQBSA-N 2 0 333.480 1.261 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000352060493 445465358 /nfs/dbraw/zinc/46/53/58/445465358.db2.gz UKGIXJZTZHXHEQ-DLBZAZTESA-N 2 0 326.529 1.541 20 0 EDADRP C[N@H+](CCCNc1ccnc(N2CCOCC2)n1)Cc1ccccc1 ZINC000352398839 445527027 /nfs/dbraw/zinc/52/70/27/445527027.db2.gz QIZMPQZTZWREPY-UHFFFAOYSA-N 2 0 341.459 2.247 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000359919844 445488978 /nfs/dbraw/zinc/48/89/78/445488978.db2.gz WXRZGWPSQFSDDV-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000359922568 445490029 /nfs/dbraw/zinc/49/00/29/445490029.db2.gz HKJQCROPJGTBSW-INIZCTEOSA-N 2 0 342.528 1.595 20 0 EDADRP O=C(C[C@@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000352101979 445493453 /nfs/dbraw/zinc/49/34/53/445493453.db2.gz LNJANYJTWLSLRI-INIZCTEOSA-N 2 0 332.448 1.137 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791082 445551001 /nfs/dbraw/zinc/55/10/01/445551001.db2.gz FFPLTSKJLHQGMG-AWEZNQCLSA-N 2 0 333.432 1.056 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000360137677 445589655 /nfs/dbraw/zinc/58/96/55/445589655.db2.gz WDMALKTUGPLZRS-INIZCTEOSA-N 2 0 341.544 1.383 20 0 EDADRP COCC[NH+](CCOC)C1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000353028914 445572033 /nfs/dbraw/zinc/57/20/33/445572033.db2.gz ONVOBOXKWHNFMI-QGZVFWFLSA-N 2 0 327.513 1.530 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000349408591 445579357 /nfs/dbraw/zinc/57/93/57/445579357.db2.gz GDAJIIUMISNAPY-MRXNPFEDSA-N 2 0 340.512 1.166 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCCOc1ccccc1F ZINC000358504515 445623847 /nfs/dbraw/zinc/62/38/47/445623847.db2.gz HAVBQOBFIUFKTN-UHFFFAOYSA-N 2 0 349.450 1.786 20 0 EDADRP C[N@H+](CC(=O)N1CCN(Cc2cccs2)CC1)CC1(O)CCC1 ZINC000353532376 445645522 /nfs/dbraw/zinc/64/55/22/445645522.db2.gz UVDNLINKSHLXGX-UHFFFAOYSA-N 2 0 337.489 1.239 20 0 EDADRP CC[C@@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353546552 445650965 /nfs/dbraw/zinc/65/09/65/445650965.db2.gz PDIMKBJNZNBJGZ-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)C1CCCCC1 ZINC000356229529 445687594 /nfs/dbraw/zinc/68/75/94/445687594.db2.gz AFADQLLFTFAROL-KRWDZBQOSA-N 2 0 333.480 1.725 20 0 EDADRP CC(C)OCC[C@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349851567 445698672 /nfs/dbraw/zinc/69/86/72/445698672.db2.gz HPLUNODISZZKKD-WMZOPIPTSA-N 2 0 327.513 1.263 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000349857390 445700386 /nfs/dbraw/zinc/70/03/86/445700386.db2.gz UNSIGLXKYVNVIM-UHFFFAOYSA-N 2 0 342.491 1.977 20 0 EDADRP CNC(=O)c1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000353669330 445700852 /nfs/dbraw/zinc/70/08/52/445700852.db2.gz IQMLLLALPBGSEQ-UHFFFAOYSA-N 2 0 346.475 1.128 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C1 ZINC000353699891 445714713 /nfs/dbraw/zinc/71/47/13/445714713.db2.gz GQMUJIMWMNOXNT-BBWFWOEESA-N 2 0 338.496 1.079 20 0 EDADRP NC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363211944 445723403 /nfs/dbraw/zinc/72/34/03/445723403.db2.gz BIIVIPLCXVEEEQ-SFHVURJKSA-N 2 0 331.460 1.647 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000349931992 445724739 /nfs/dbraw/zinc/72/47/39/445724739.db2.gz IFCJXBFAQKEFRB-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360742692 445730434 /nfs/dbraw/zinc/73/04/34/445730434.db2.gz ADLBRACKZFNQOV-VYDXJSESSA-N 2 0 340.537 1.692 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358711713 445734335 /nfs/dbraw/zinc/73/43/35/445734335.db2.gz URMDESZQJHWNGO-SUMDDJOVSA-N 2 0 346.475 1.188 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1CC[NH2+]CC1 ZINC000353762135 445743305 /nfs/dbraw/zinc/74/33/05/445743305.db2.gz XUHNXPUMGIZTLP-MRXNPFEDSA-N 2 0 339.480 1.252 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CC1 ZINC000353773544 445748410 /nfs/dbraw/zinc/74/84/10/445748410.db2.gz OQRMEAHYODLFHA-IBGZPJMESA-N 2 0 348.535 1.347 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000353944667 445821865 /nfs/dbraw/zinc/82/18/65/445821865.db2.gz LMBPEIAYABWDFA-VSZNYVQBSA-N 2 0 339.524 1.826 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000361583871 445832654 /nfs/dbraw/zinc/83/26/54/445832654.db2.gz SWCJOJUOMVOTFY-IKGGRYGDSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000358860708 445816369 /nfs/dbraw/zinc/81/63/69/445816369.db2.gz RBQMBRKZCNXSGZ-QAPCUYQASA-N 2 0 349.450 1.439 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C(C)C ZINC000354004084 445849215 /nfs/dbraw/zinc/84/92/15/445849215.db2.gz QKSZLKASLXDHKF-SJORKVTESA-N 2 0 342.528 1.592 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359028394 445897152 /nfs/dbraw/zinc/89/71/52/445897152.db2.gz AXOGKDMEPFGPPS-JKSUJKDBSA-N 2 0 328.501 1.515 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000365917277 445904852 /nfs/dbraw/zinc/90/48/52/445904852.db2.gz DZMBBLVSAHFCKE-PBHICJAKSA-N 2 0 327.472 1.827 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000361784794 445942815 /nfs/dbraw/zinc/94/28/15/445942815.db2.gz FVUSQKPJYYYHHN-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000582477772 325854266 /nfs/dbraw/zinc/85/42/66/325854266.db2.gz LYXCXRYJKSMYPJ-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000366016161 445964159 /nfs/dbraw/zinc/96/41/59/445964159.db2.gz RONFSVPEZJIZLC-UHFFFAOYSA-N 2 0 333.476 1.933 20 0 EDADRP C[NH+]1CCC(CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000582535884 325867346 /nfs/dbraw/zinc/86/73/46/325867346.db2.gz ZVDQZVCMWJHLIJ-GOSISDBHSA-N 2 0 330.476 1.905 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000369228357 446006847 /nfs/dbraw/zinc/00/68/47/446006847.db2.gz AVLFBNLHGYBZSY-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000583140532 326010918 /nfs/dbraw/zinc/01/09/18/326010918.db2.gz AMXOPTNTETVQCI-QRQLOZEOSA-N 2 0 344.503 1.561 20 0 EDADRP CC[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000583626540 326106277 /nfs/dbraw/zinc/10/62/77/326106277.db2.gz WAHNNIOFOGNUBR-DLBZAZTESA-N 2 0 339.455 1.181 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000584111098 326201840 /nfs/dbraw/zinc/20/18/40/326201840.db2.gz LQPJVFVCDNTTTI-QIIPPGSGSA-N 2 0 332.448 1.614 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000584280895 326233733 /nfs/dbraw/zinc/23/37/33/326233733.db2.gz IKJJMSIREUYNER-GOSISDBHSA-N 2 0 346.475 1.542 20 0 EDADRP C[C@]([NH3+])(C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1)c1ccccc1 ZINC000373173493 446074214 /nfs/dbraw/zinc/07/42/14/446074214.db2.gz OQLREVGBGXBSGM-YQVWRLOYSA-N 2 0 327.403 1.953 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000366212998 446085771 /nfs/dbraw/zinc/08/57/71/446085771.db2.gz XRPZPFCCFPGRIT-ZWKOTPCHSA-N 2 0 346.475 1.452 20 0 EDADRP C[C@@H]1CN([C@H](CNc2ccnc(N(C)C)n2)c2cccs2)CCO1 ZINC000354353981 446136901 /nfs/dbraw/zinc/13/69/01/446136901.db2.gz OANBYRAQGURCRO-ZIAGYGMSSA-N 2 0 347.488 2.478 20 0 EDADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373258007 446128854 /nfs/dbraw/zinc/12/88/54/446128854.db2.gz XAELNDPWTVEDMA-QGZVFWFLSA-N 2 0 338.540 1.497 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658432 446141599 /nfs/dbraw/zinc/14/15/99/446141599.db2.gz DGMRNAMPSIGEHH-IXDOHACOSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000359346516 446165391 /nfs/dbraw/zinc/16/53/91/446165391.db2.gz RCGSQXZQQVTSHR-CRAIPNDOSA-N 2 0 342.487 1.969 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000359376151 446182581 /nfs/dbraw/zinc/18/25/81/446182581.db2.gz SAUZPIVVWSPQMB-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000365404959 446191487 /nfs/dbraw/zinc/19/14/87/446191487.db2.gz RSNQKOCKURJRNW-NSHDSACASA-N 2 0 338.374 1.181 20 0 EDADRP CC1CC[NH+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369671919 446145332 /nfs/dbraw/zinc/14/53/32/446145332.db2.gz WXHUIIXQRVZNFL-UHFFFAOYSA-N 2 0 348.495 2.003 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCCCS(C)(=O)=O ZINC000359387420 446191758 /nfs/dbraw/zinc/19/17/58/446191758.db2.gz YCRJBFNLDDYPTR-UHFFFAOYSA-N 2 0 336.461 1.880 20 0 EDADRP COC(C)(C)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369791737 446155765 /nfs/dbraw/zinc/15/57/65/446155765.db2.gz SAZLFEMPZDDALM-GJZGRUSLSA-N 2 0 340.512 1.658 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC3(CCOCC3)CC2)CC1 ZINC000370299390 446221255 /nfs/dbraw/zinc/22/12/55/446221255.db2.gz TUXKBYJIWLHESW-UHFFFAOYSA-N 2 0 339.524 1.674 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000366563280 446263018 /nfs/dbraw/zinc/26/30/18/446263018.db2.gz CVZQEFKLYQPCPJ-SFHVURJKSA-N 2 0 342.487 1.700 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000366565309 446264340 /nfs/dbraw/zinc/26/43/40/446264340.db2.gz IVWDPLZHGZACLG-HOTGVXAUSA-N 2 0 334.439 1.258 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000362252538 446287133 /nfs/dbraw/zinc/28/71/33/446287133.db2.gz AVUXOQLSJHKQDC-SJORKVTESA-N 2 0 327.513 1.122 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000365663946 446293048 /nfs/dbraw/zinc/29/30/48/446293048.db2.gz QFUYQCQJKDBNEQ-VNQPRFMTSA-N 2 0 329.448 1.889 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000417333131 446346661 /nfs/dbraw/zinc/34/66/61/446346661.db2.gz PLBPMOGAYJPPJY-GJZGRUSLSA-N 2 0 348.491 1.942 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(CCOCC(F)(F)C(F)F)CC2)C1 ZINC000373746371 446321808 /nfs/dbraw/zinc/32/18/08/446321808.db2.gz NZMKZIDKCAJGSB-CYBMUJFWSA-N 2 0 341.393 1.615 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2nccn2CC(F)(F)F)C1 ZINC000362362084 446334772 /nfs/dbraw/zinc/33/47/72/446334772.db2.gz UYDDOHHKMLMWQT-GFCCVEGCSA-N 2 0 347.385 1.929 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000376122124 446343772 /nfs/dbraw/zinc/34/37/72/446343772.db2.gz FGQCXOGVYFHLQG-OQSMONGASA-N 2 0 336.524 1.284 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370587520 446344617 /nfs/dbraw/zinc/34/46/17/446344617.db2.gz IPPQKSUAVWFMPX-APWZRJJASA-N 2 0 347.507 1.651 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000417423032 446351165 /nfs/dbraw/zinc/35/11/65/446351165.db2.gz QFQUODWFBLCNLS-ZACQAIPSSA-N 2 0 346.475 1.976 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417489298 446354926 /nfs/dbraw/zinc/35/49/26/446354926.db2.gz BPMYIEOHQPUXPP-QRVBRYPASA-N 2 0 342.487 1.554 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417503738 446355620 /nfs/dbraw/zinc/35/56/20/446355620.db2.gz MIXVHFCIDDCZPP-MOPGFXCFSA-N 2 0 344.503 1.850 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417508198 446357202 /nfs/dbraw/zinc/35/72/02/446357202.db2.gz SWCIVNUDAYFHJG-LJQANCHMSA-N 2 0 342.487 1.770 20 0 EDADRP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370619925 446360507 /nfs/dbraw/zinc/36/05/07/446360507.db2.gz IBBJILPPBBHRPP-NVXWUHKLSA-N 2 0 348.539 1.443 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000417517446 446360542 /nfs/dbraw/zinc/36/05/42/446360542.db2.gz QERYVWHPUDQKTR-SFHVURJKSA-N 2 0 348.491 1.701 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000417545790 446364019 /nfs/dbraw/zinc/36/40/19/446364019.db2.gz KOUUBWUWIYSGCY-KGLIPLIRSA-N 2 0 326.485 1.268 20 0 EDADRP Cc1cc(N2CCC[C@@H]([NH2+]C3CCS(=O)(=O)CC3)C2)nc(C)n1 ZINC000365839092 446364016 /nfs/dbraw/zinc/36/40/16/446364016.db2.gz SNQLMRWWJXKZSS-OAHLLOKOSA-N 2 0 338.477 1.229 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000417896134 446378545 /nfs/dbraw/zinc/37/85/45/446378545.db2.gz PJOMDRVUGUAJHQ-VQFNDLOPSA-N 2 0 330.476 1.758 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000417931559 446390100 /nfs/dbraw/zinc/39/01/00/446390100.db2.gz LMKWVSNSYAPSNW-HUUCEWRRSA-N 2 0 333.480 1.904 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000417937901 446392373 /nfs/dbraw/zinc/39/23/73/446392373.db2.gz SYFRKJGFKROJEI-SFHVURJKSA-N 2 0 334.439 1.782 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000417953960 446398276 /nfs/dbraw/zinc/39/82/76/446398276.db2.gz PWYMNPZQSZZZDT-ZBFHGGJFSA-N 2 0 349.479 1.339 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418075784 446432850 /nfs/dbraw/zinc/43/28/50/446432850.db2.gz QCZUYYAKQFCLCZ-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000423141506 446437578 /nfs/dbraw/zinc/43/75/78/446437578.db2.gz QLYQQYVKASMMJK-QOKNQOGYSA-N 2 0 336.476 1.975 20 0 EDADRP COc1ccc([C@H](NCC[NH+]2CCC(O)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423167776 446446567 /nfs/dbraw/zinc/44/65/67/446446567.db2.gz XDTVBZGWURPZSB-OALUTQOASA-N 2 0 333.476 1.535 20 0 EDADRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000423176151 446446862 /nfs/dbraw/zinc/44/68/62/446446862.db2.gz GIANQFSQSDWOTI-INIZCTEOSA-N 2 0 342.491 1.830 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000418184998 446450596 /nfs/dbraw/zinc/45/05/96/446450596.db2.gz AHISLZUMSNSPND-YUELXQCFSA-N 2 0 340.418 1.931 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000366907167 446406923 /nfs/dbraw/zinc/40/69/23/446406923.db2.gz AXDWNMJCRIFGJY-QZTJIDSGSA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000370731349 446407336 /nfs/dbraw/zinc/40/73/36/446407336.db2.gz WALAHSLRHCQQQO-HYVNUMGLSA-N 2 0 336.480 1.118 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417995591 446410330 /nfs/dbraw/zinc/41/03/30/446410330.db2.gz QGLHJLFSRYTXRV-MSOLQXFVSA-N 2 0 346.475 1.276 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418009145 446414486 /nfs/dbraw/zinc/41/44/86/446414486.db2.gz HVQDTHYHMLKBLH-DOTOQJQBSA-N 2 0 330.476 1.900 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000370767702 446425437 /nfs/dbraw/zinc/42/54/37/446425437.db2.gz VQMKYEDYBDRNMC-PKOBYXMFSA-N 2 0 332.492 1.609 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(N3CCCC3=O)CC2)cc1 ZINC000420298797 446461278 /nfs/dbraw/zinc/46/12/78/446461278.db2.gz HVHQDOJBFPORBN-INIZCTEOSA-N 2 0 331.460 1.824 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000432488152 446474310 /nfs/dbraw/zinc/47/43/10/446474310.db2.gz CVKHGCLTYYLKFX-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN([C@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311933 446475876 /nfs/dbraw/zinc/47/58/76/446475876.db2.gz WJBXJLWJOOMGQF-UKRRQHHQSA-N 2 0 340.489 1.635 20 0 EDADRP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420322768 446488391 /nfs/dbraw/zinc/48/83/91/446488391.db2.gz FIYGMUKQYFITID-MJGOQNOKSA-N 2 0 339.524 1.955 20 0 EDADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCCC[NH2+]C2CC2)C[C@H](C)O1 ZINC000418305501 446492460 /nfs/dbraw/zinc/49/24/60/446492460.db2.gz YYZFTJLDNNQMKL-HLLBOEOZSA-N 2 0 338.496 1.412 20 0 EDADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420326716 446492872 /nfs/dbraw/zinc/49/28/72/446492872.db2.gz KMXXMOSZUYBFPY-AEFFLSMTSA-N 2 0 343.471 1.869 20 0 EDADRP CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326636 446493285 /nfs/dbraw/zinc/49/32/85/446493285.db2.gz COCBIVNRDYEOMB-OWCLPIDISA-N 2 0 334.464 2.412 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCO[C@@](C)(c3cnn(C)c3)C2)CC1 ZINC000367058979 446494681 /nfs/dbraw/zinc/49/46/81/446494681.db2.gz ZZSYSOLPFPGZRE-LJQANCHMSA-N 2 0 349.523 1.384 20 0 EDADRP COCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420327109 446495713 /nfs/dbraw/zinc/49/57/13/446495713.db2.gz DAGWAANQNVRTLV-HDICACEKSA-N 2 0 331.460 1.381 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423363814 446501571 /nfs/dbraw/zinc/50/15/71/446501571.db2.gz BWBSADSXPZXZTR-APWZRJJASA-N 2 0 347.459 1.012 20 0 EDADRP CN(C(=O)NCCC[NH2+]Cc1cccnc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418331521 446502433 /nfs/dbraw/zinc/50/24/33/446502433.db2.gz DRVDYEKNVQYHST-QGZVFWFLSA-N 2 0 331.464 1.439 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1cccc(F)c1 ZINC000420337992 446507300 /nfs/dbraw/zinc/50/73/00/446507300.db2.gz NHSVQICHBFCXPC-GASCZTMLSA-N 2 0 335.423 1.252 20 0 EDADRP CCN(CCOCCO)Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000367105709 446507370 /nfs/dbraw/zinc/50/73/70/446507370.db2.gz GGJQTIQRINABGL-UHFFFAOYSA-N 2 0 327.494 1.740 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423375624 446508282 /nfs/dbraw/zinc/50/82/82/446508282.db2.gz UKGUFQNCFNKCRB-SFHVURJKSA-N 2 0 345.491 1.898 20 0 EDADRP Cc1cc(N2CC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)n(C)n1 ZINC000420341737 446513605 /nfs/dbraw/zinc/51/36/05/446513605.db2.gz VQOKMENPHNYZTO-HOTGVXAUSA-N 2 0 331.464 1.298 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418365899 446514467 /nfs/dbraw/zinc/51/44/67/446514467.db2.gz KCGRHCGDMLTDML-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423393270 446515032 /nfs/dbraw/zinc/51/50/32/446515032.db2.gz OXCHQGUANPLEEV-KGLIPLIRSA-N 2 0 333.402 1.333 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)N2CCc3ccccc32)CC12CCOCC2 ZINC000420331572 446500834 /nfs/dbraw/zinc/50/08/34/446500834.db2.gz QYJTUOWPQSWCIC-QGZVFWFLSA-N 2 0 343.471 1.653 20 0 EDADRP CC[NH2+]CCNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418328136 446500861 /nfs/dbraw/zinc/50/08/61/446500861.db2.gz RPXJXXKGQRUDPF-GASCZTMLSA-N 2 0 326.485 1.127 20 0 EDADRP CN1CCNC[C@@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423518459 446559969 /nfs/dbraw/zinc/55/99/69/446559969.db2.gz OSHITELUXYIWQG-SOAGJPPSSA-N 2 0 330.520 1.923 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433371536 446565086 /nfs/dbraw/zinc/56/50/86/446565086.db2.gz BJADFXAJIPJGHV-GJZGRUSLSA-N 2 0 334.468 1.197 20 0 EDADRP C[N@H+](CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C1CCCCC1 ZINC000433373864 446565138 /nfs/dbraw/zinc/56/51/38/446565138.db2.gz HTPUFIMLNPHBNG-OAHLLOKOSA-N 2 0 334.468 1.197 20 0 EDADRP CC1CCC(N(C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)C2CC2)CC1 ZINC000420346285 446518886 /nfs/dbraw/zinc/51/88/86/446518886.db2.gz CQEIIBLGRIKITO-TVPLGVNVSA-N 2 0 348.535 1.536 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000423408437 446521913 /nfs/dbraw/zinc/52/19/13/446521913.db2.gz AJFSICYNTUAXOO-MRXNPFEDSA-N 2 0 342.528 1.395 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000418497305 446566892 /nfs/dbraw/zinc/56/68/92/446566892.db2.gz WCEWTCJKXUHBGV-LSDHHAIUSA-N 2 0 348.491 1.693 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423423688 446529303 /nfs/dbraw/zinc/52/93/03/446529303.db2.gz MJCBOMMEBCQYCE-KUHUBIRLSA-N 2 0 347.434 1.537 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418411722 446534393 /nfs/dbraw/zinc/53/43/93/446534393.db2.gz QNGVVGLGQLDTDJ-INMHGKMJSA-N 2 0 340.512 1.501 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000418414308 446535985 /nfs/dbraw/zinc/53/59/85/446535985.db2.gz RMQYIRAHUZNHIO-DZGCQCFKSA-N 2 0 333.436 1.049 20 0 EDADRP CCC[C@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CC[N@@H+]1CCOC ZINC000420370614 446548108 /nfs/dbraw/zinc/54/81/08/446548108.db2.gz JUWFDHQTOAWSOB-ZDUSSCGKSA-N 2 0 325.457 1.196 20 0 EDADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423468129 446548924 /nfs/dbraw/zinc/54/89/24/446548924.db2.gz JKUJHTLCKJXYSM-KFWWJZLASA-N 2 0 347.463 1.152 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418609733 446614849 /nfs/dbraw/zinc/61/48/49/446614849.db2.gz SRBOLCDNQZTBMC-BRWVUGGUSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418612573 446615828 /nfs/dbraw/zinc/61/58/28/446615828.db2.gz ICJGBYBNABMKBB-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418621636 446618481 /nfs/dbraw/zinc/61/84/81/446618481.db2.gz SYMOGHXICUUSAF-USXIJHARSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418621874 446618488 /nfs/dbraw/zinc/61/84/88/446618488.db2.gz UJXYJXBEVXZJNI-HRCADAONSA-N 2 0 340.512 1.515 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCC(=O)Nc2cccc(C(F)(F)F)c2)CC1 ZINC000420402756 446577068 /nfs/dbraw/zinc/57/70/68/446577068.db2.gz JCORURCFFSTHCY-UHFFFAOYSA-N 2 0 345.365 1.820 20 0 EDADRP [NH3+]CCCCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418520816 446578590 /nfs/dbraw/zinc/57/85/90/446578590.db2.gz HWMOYOLTCIANEF-QZTJIDSGSA-N 2 0 330.476 1.889 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375102437 446581729 /nfs/dbraw/zinc/58/17/29/446581729.db2.gz TWSLCTGYDSFINM-GOSISDBHSA-N 2 0 342.487 1.990 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418530112 446583261 /nfs/dbraw/zinc/58/32/61/446583261.db2.gz ALFJCGSJQRLECH-SJLPKXTDSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCC[NH3+])CC1 ZINC000420411062 446584577 /nfs/dbraw/zinc/58/45/77/446584577.db2.gz RQGVBBRFOWKKGE-HNNXBMFYSA-N 3 0 338.471 1.594 20 0 EDADRP Cc1cccc(OCCCNC(=O)CN2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420414106 446588385 /nfs/dbraw/zinc/58/83/85/446588385.db2.gz UJHDDGKWXIIFEX-IRXDYDNUSA-N 2 0 333.476 1.797 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418548121 446588982 /nfs/dbraw/zinc/58/89/82/446588982.db2.gz CMINSKQRQDIOGP-IBGZPJMESA-N 2 0 336.439 1.976 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CCC[C@H]([NH3+])C1)CC2 ZINC000423595977 446595163 /nfs/dbraw/zinc/59/51/63/446595163.db2.gz QWBFWQMATNLYND-HOTGVXAUSA-N 2 0 347.459 1.448 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411561906 446601109 /nfs/dbraw/zinc/60/11/09/446601109.db2.gz NIZMJAMEUAEUJT-GASCZTMLSA-N 2 0 346.475 1.546 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418661765 446638806 /nfs/dbraw/zinc/63/88/06/446638806.db2.gz QOMVWVYDCSRAIW-YESZJQIVSA-N 2 0 338.496 1.127 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418701803 446654376 /nfs/dbraw/zinc/65/43/76/446654376.db2.gz DEKZZNNSPUHOOO-BZSNNMDCSA-N 2 0 330.476 1.887 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418636011 446626158 /nfs/dbraw/zinc/62/61/58/446626158.db2.gz LRQJZRHMUZDYGY-BHIYHBOVSA-N 2 0 342.487 1.999 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000418642198 446627529 /nfs/dbraw/zinc/62/75/29/446627529.db2.gz SVWLNNOTDIRUIK-BEFAXECRSA-N 2 0 342.487 1.999 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000423758964 446688948 /nfs/dbraw/zinc/68/89/48/446688948.db2.gz KYQLPUAPIRVKJH-OTWHNJEPSA-N 2 0 348.535 1.393 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@]12CCOC2)N1CCN(c2ccccn2)CC1 ZINC000375276131 446689218 /nfs/dbraw/zinc/68/92/18/446689218.db2.gz FQXOGDWDEDLTIJ-IBGZPJMESA-N 2 0 344.459 1.375 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423759000 446689778 /nfs/dbraw/zinc/68/97/78/446689778.db2.gz OMXPUDKUVPZRBE-MRXNPFEDSA-N 2 0 339.867 1.738 20 0 EDADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000418774672 446692349 /nfs/dbraw/zinc/69/23/49/446692349.db2.gz VISIKUGHVHGULX-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000423765767 446694831 /nfs/dbraw/zinc/69/48/31/446694831.db2.gz ZJYQYZCCEHPVDB-AWEZNQCLSA-N 2 0 347.459 1.711 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280648 446739309 /nfs/dbraw/zinc/73/93/09/446739309.db2.gz RJVLTRXWCWQAJW-SJLPKXTDSA-N 2 0 330.476 1.361 20 0 EDADRP CC(C)(C)CNC(=O)C(C)(C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423819728 446708888 /nfs/dbraw/zinc/70/88/88/446708888.db2.gz FZRVWOLAAMNXDY-UHFFFAOYSA-N 2 0 340.512 1.247 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423748453 446678108 /nfs/dbraw/zinc/67/81/08/446678108.db2.gz UMBFDXHNRYIMBR-DLBZAZTESA-N 2 0 336.524 1.393 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000423890763 446746960 /nfs/dbraw/zinc/74/69/60/446746960.db2.gz IWIIVYBNOUQFRU-WMZOPIPTSA-N 2 0 347.459 1.327 20 0 EDADRP COCC1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000423902307 446753482 /nfs/dbraw/zinc/75/34/82/446753482.db2.gz LQHHTHQDIFYIHF-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437844319 446765956 /nfs/dbraw/zinc/76/59/56/446765956.db2.gz IBZYFSYDAPBGIK-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NC2CCC([NH+](C)C)CC2)C[C@H](C)O1 ZINC000420759872 446798098 /nfs/dbraw/zinc/79/80/98/446798098.db2.gz JBCACFXORYSOFZ-JUVOFCAFSA-N 2 0 340.512 1.658 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000423991732 446811856 /nfs/dbraw/zinc/81/18/56/446811856.db2.gz MXRKTTBEUQPPKP-WBVHZDCISA-N 2 0 335.423 1.142 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000424019489 446826668 /nfs/dbraw/zinc/82/66/68/446826668.db2.gz KEXHQNUZWQLTCB-ROUUACIJSA-N 2 0 331.460 1.617 20 0 EDADRP COc1c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)nn1C ZINC000371415598 446840355 /nfs/dbraw/zinc/84/03/55/446840355.db2.gz FBIXQYZSGCSIHH-UHFFFAOYSA-N 2 0 336.480 1.671 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC(F)(F)C1 ZINC000440575120 446849273 /nfs/dbraw/zinc/84/92/73/446849273.db2.gz JJZLTKBPAGEXMF-UHFFFAOYSA-N 2 0 338.402 1.755 20 0 EDADRP [NH3+]CCCCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000418929418 446806033 /nfs/dbraw/zinc/80/60/33/446806033.db2.gz AARSKVKNRMYZLI-KRWDZBQOSA-N 2 0 346.475 1.012 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000424168193 446862539 /nfs/dbraw/zinc/86/25/39/446862539.db2.gz ILZRTCVASTZJCD-HUUCEWRRSA-N 2 0 331.464 1.338 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419014454 446867935 /nfs/dbraw/zinc/86/79/35/446867935.db2.gz IUVMDCOSWBXCOI-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000368483164 446889588 /nfs/dbraw/zinc/88/95/88/446889588.db2.gz NPLZBGBRVXWGDI-MSOLQXFVSA-N 2 0 329.444 1.098 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000454634022 446926001 /nfs/dbraw/zinc/92/60/01/446926001.db2.gz RXZIKCQOJUQYOU-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2[C@@H]2CNC(=O)C2)CC1 ZINC000375594642 446913137 /nfs/dbraw/zinc/91/31/37/446913137.db2.gz BHCUXEMMFCBBJR-ZWKOTPCHSA-N 2 0 336.524 1.393 20 0 EDADRP COc1ncc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)n1 ZINC000375618990 446928731 /nfs/dbraw/zinc/92/87/31/446928731.db2.gz BVZXMGGTSAPKAW-AWEZNQCLSA-N 2 0 333.480 1.394 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000368555925 446942719 /nfs/dbraw/zinc/94/27/19/446942719.db2.gz IMSCWCVSIPCCKE-QLFBSQMISA-N 2 0 345.443 1.922 20 0 EDADRP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442751658 446950348 /nfs/dbraw/zinc/95/03/48/446950348.db2.gz CUEPDFJTTIDOSA-YCPHGPKFSA-N 2 0 349.475 1.420 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442776109 446962820 /nfs/dbraw/zinc/96/28/20/446962820.db2.gz BJENHMZSWDXWDS-GJZGRUSLSA-N 2 0 340.471 1.812 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419214061 447014963 /nfs/dbraw/zinc/01/49/63/447014963.db2.gz MDWGCDJTRCQJQE-QGZVFWFLSA-N 2 0 346.475 1.093 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000419222546 447016923 /nfs/dbraw/zinc/01/69/23/447016923.db2.gz XODHNUMGMMRGMB-QGZVFWFLSA-N 2 0 348.491 1.243 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000454821017 446976780 /nfs/dbraw/zinc/97/67/80/446976780.db2.gz QYMHBEXUQDHXHB-YOEHRIQHSA-N 2 0 334.464 1.003 20 0 EDADRP C[C@H](CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)C[NH+]1CCCC1 ZINC000368701976 447052841 /nfs/dbraw/zinc/05/28/41/447052841.db2.gz OYCOUOZQMDRZQZ-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP O=C1NCCN1CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377332106 447072085 /nfs/dbraw/zinc/07/20/85/447072085.db2.gz WXBYVIVFQLSJSM-MSOLQXFVSA-N 2 0 328.460 1.466 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)c2c[nH+]ccc2N)cc1 ZINC000444162851 447083924 /nfs/dbraw/zinc/08/39/24/447083924.db2.gz BJWUMDKCEXZGRW-UHFFFAOYSA-N 2 0 328.416 1.407 20 0 EDADRP CN(c1ccccc1C[NH2+]CC1(CC(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000421349882 447139095 /nfs/dbraw/zinc/13/90/95/447139095.db2.gz KBDWAQRWRKLTJO-UHFFFAOYSA-N 2 0 344.503 1.962 20 0 EDADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907264 447139553 /nfs/dbraw/zinc/13/95/53/447139553.db2.gz XRQMWXDATBCKMB-ROUUACIJSA-N 2 0 327.513 1.120 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421369958 447143080 /nfs/dbraw/zinc/14/30/80/447143080.db2.gz BOOUDRUTQAAJLC-QGZVFWFLSA-N 2 0 330.476 1.396 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000419407155 447156642 /nfs/dbraw/zinc/15/66/42/447156642.db2.gz JRKOXAQGAFCJFH-GJZGRUSLSA-N 2 0 346.475 1.171 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)cc2)CC1 ZINC000375930304 447157075 /nfs/dbraw/zinc/15/70/75/447157075.db2.gz HRNREUHFOYPTHO-MJGOQNOKSA-N 2 0 342.487 1.258 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2F)CC1)[C@H]1C[NH2+]CCO1 ZINC000368818550 447131915 /nfs/dbraw/zinc/13/19/15/447131915.db2.gz QFRRSFRKQYWELG-QGZVFWFLSA-N 2 0 335.423 1.142 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375977114 447186438 /nfs/dbraw/zinc/18/64/38/447186438.db2.gz RIMCKEZAFPOZAE-QUCCMNQESA-N 2 0 343.471 1.259 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419456455 447189546 /nfs/dbraw/zinc/18/95/46/447189546.db2.gz ABHYQAPHMLMCKO-BRWVUGGUSA-N 2 0 340.512 1.347 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cn1C ZINC000377619917 447248327 /nfs/dbraw/zinc/24/83/27/447248327.db2.gz DEZRYNSSFAIPOY-UHFFFAOYSA-N 2 0 348.491 1.271 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)C(C)C ZINC000419504015 447230560 /nfs/dbraw/zinc/23/05/60/447230560.db2.gz UNFSQSFLNADWBM-DLBZAZTESA-N 2 0 342.528 1.592 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419513961 447235809 /nfs/dbraw/zinc/23/58/09/447235809.db2.gz NGOBVKVFRCAIGD-BZUAXINKSA-N 2 0 328.501 1.203 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000372732493 447255658 /nfs/dbraw/zinc/25/56/58/447255658.db2.gz PGNKBICDQVWVOR-QGZVFWFLSA-N 2 0 327.513 1.804 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414307238 447289959 /nfs/dbraw/zinc/28/99/59/447289959.db2.gz OYFMPKBJPCSWQE-KRWDZBQOSA-N 2 0 345.487 1.660 20 0 EDADRP C[C@H](CCNC(=O)C(C)(C)N1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379663199 447453451 /nfs/dbraw/zinc/45/34/51/447453451.db2.gz KSFGKRGTTIAFGK-QGZVFWFLSA-N 2 0 346.519 1.697 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH3+])c1 ZINC000415471303 447463529 /nfs/dbraw/zinc/46/35/29/447463529.db2.gz PQESVIXFOIFZFT-INIZCTEOSA-N 2 0 332.448 1.417 20 0 EDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495347607 447489695 /nfs/dbraw/zinc/48/96/95/447489695.db2.gz LRSQLBXLQRYZRX-HNNXBMFYSA-N 2 0 343.512 1.972 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000426705080 447493532 /nfs/dbraw/zinc/49/35/32/447493532.db2.gz UWOIYEYDEVMTDE-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3COCCO3)CC2)C[C@@H](C)O1 ZINC000450477408 447502187 /nfs/dbraw/zinc/50/21/87/447502187.db2.gz WOCCSPIYGKCURJ-NUJGCVRESA-N 2 0 326.481 1.613 20 0 EDADRP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000392465147 447523671 /nfs/dbraw/zinc/52/36/71/447523671.db2.gz BJFHHFRGRBYYDS-WMLDXEAASA-N 2 0 333.480 1.063 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000456875986 447472194 /nfs/dbraw/zinc/47/21/94/447472194.db2.gz FUXQEMVRYKESSC-UHFFFAOYSA-N 2 0 329.448 1.480 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000427295850 447575680 /nfs/dbraw/zinc/57/56/80/447575680.db2.gz QOJRHJGIXUTHHT-INIZCTEOSA-N 2 0 346.475 1.251 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000419999242 447536722 /nfs/dbraw/zinc/53/67/22/447536722.db2.gz OEJMFEXXSITWMN-FUHWJXTLSA-N 2 0 325.497 1.602 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@@H+]1C ZINC000394408751 447537312 /nfs/dbraw/zinc/53/73/12/447537312.db2.gz MQNKLJDKDHGHGJ-PMPSAXMXSA-N 2 0 340.512 1.610 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CC[N@H+](CCO)[C@@H](C)C2)CC1 ZINC000428456916 447701390 /nfs/dbraw/zinc/70/13/90/447701390.db2.gz IQTYCECCCRVUOC-SFHVURJKSA-N 2 0 346.519 1.327 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000416889665 447702574 /nfs/dbraw/zinc/70/25/74/447702574.db2.gz RMWPJNNCBFATSK-GOSISDBHSA-N 2 0 348.491 1.788 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1C[NH2+]C1)c1cccc(OC)c1 ZINC000416917654 447709455 /nfs/dbraw/zinc/70/94/55/447709455.db2.gz ICMXGYQWAAADKP-KRWDZBQOSA-N 2 0 334.464 1.597 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000457874494 447656929 /nfs/dbraw/zinc/65/69/29/447656929.db2.gz QPSFJEBLTISRFF-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](C)C1 ZINC000422590615 447659269 /nfs/dbraw/zinc/65/92/69/447659269.db2.gz ASVRTEXOYSKXCD-GJZGRUSLSA-N 2 0 328.501 1.550 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000457929464 447675663 /nfs/dbraw/zinc/67/56/63/447675663.db2.gz JRWQBLGSWRHABL-ZACQAIPSSA-N 2 0 340.512 1.253 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960871 447676449 /nfs/dbraw/zinc/67/64/49/447676449.db2.gz OTUAXKVVLKEDKN-INIZCTEOSA-N 2 0 335.448 1.506 20 0 EDADRP COc1ccc(NC(=O)NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422641689 447685373 /nfs/dbraw/zinc/68/53/73/447685373.db2.gz YJAPYVYLQDFAFP-MJBXVCDLSA-N 2 0 348.447 1.649 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000416938318 447716104 /nfs/dbraw/zinc/71/61/04/447716104.db2.gz FHJMRIKWYQLXMP-QLFBSQMISA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716122 447726795 /nfs/dbraw/zinc/72/67/95/447726795.db2.gz MXPLILYBYYLBOI-ZYSHUDEJSA-N 3 0 335.492 1.859 20 0 EDADRP C[C@@H]1COCCN1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720533 447727898 /nfs/dbraw/zinc/72/78/98/447727898.db2.gz SQGGIQTVMCMVBD-SUMDDJOVSA-N 2 0 331.460 1.553 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2ccc(OCC[NH+](C)C)c(C)c2)CC1 ZINC000458188785 447741019 /nfs/dbraw/zinc/74/10/19/447741019.db2.gz CCYWSOBRSNAGLP-UHFFFAOYSA-N 2 0 348.491 1.511 20 0 EDADRP COc1ccc([C@H](NCCC[NH+]2CCC(O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422764038 447743380 /nfs/dbraw/zinc/74/33/80/447743380.db2.gz PHGHXPWKRKZWJH-UXHICEINSA-N 2 0 347.503 1.925 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2COc3ccccc3O2)CC[NH2+]CC1 ZINC000422768612 447745556 /nfs/dbraw/zinc/74/55/56/447745556.db2.gz UESIXFJFQGQSLP-HUUCEWRRSA-N 2 0 348.443 1.737 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000458237255 447750809 /nfs/dbraw/zinc/75/08/09/447750809.db2.gz LCYLLLSQFITBDP-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843179 447766170 /nfs/dbraw/zinc/76/61/70/447766170.db2.gz HHNKKVKIEUZCHC-MOPGFXCFSA-N 3 0 331.508 1.843 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422841757 447766540 /nfs/dbraw/zinc/76/65/40/447766540.db2.gz DKCGKJXNJGJPFJ-SJLPKXTDSA-N 2 0 338.540 1.877 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422843835 447766747 /nfs/dbraw/zinc/76/67/47/447766747.db2.gz JTOIPHJQOQCOFG-FGTMMUONSA-N 2 0 336.524 1.487 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843199 447766779 /nfs/dbraw/zinc/76/67/79/447766779.db2.gz HIWRRJAGYDIBEC-HKUYNNGSSA-N 3 0 331.508 1.701 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458332945 447771112 /nfs/dbraw/zinc/77/11/12/447771112.db2.gz AFMGITYDQSJEQY-VQHPVUNQSA-N 2 0 340.512 1.346 20 0 EDADRP COc1ccc([C@H](NC[C@H]2C[N@H+](C)CCN2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422914791 447771248 /nfs/dbraw/zinc/77/12/48/447771248.db2.gz VZVBBTRHYCHYKK-WDSOQIARSA-N 2 0 332.492 1.324 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000430709771 447783704 /nfs/dbraw/zinc/78/37/04/447783704.db2.gz ZCPXLHAHJFNZLQ-IBGZPJMESA-N 2 0 331.460 1.777 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985540 447787647 /nfs/dbraw/zinc/78/76/47/447787647.db2.gz FFFLQKOMOLIPMT-CZUORRHYSA-N 2 0 338.423 1.770 20 0 EDADRP CC(C)([NH3+])c1noc(CN2CC[NH+](CCc3cccs3)CC2)n1 ZINC000431100102 447791220 /nfs/dbraw/zinc/79/12/20/447791220.db2.gz UBLIZUTYXIDMJL-UHFFFAOYSA-N 2 0 335.477 1.685 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C1 ZINC000423029087 447794026 /nfs/dbraw/zinc/79/40/26/447794026.db2.gz HPVBKYHKJWJYTG-VAMGGRTRSA-N 2 0 345.487 1.110 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487692852 447836256 /nfs/dbraw/zinc/83/62/56/447836256.db2.gz SFZTVUTUTPSOPE-CVEARBPZSA-N 2 0 326.485 1.004 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000488368562 447845911 /nfs/dbraw/zinc/84/59/11/447845911.db2.gz CSUWVXSOWKOKRL-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](CNc1ncc(Cl)c(NC[C@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000489021191 447851375 /nfs/dbraw/zinc/85/13/75/447851375.db2.gz VBBWZZZNGGAYBA-QWHCGFSZSA-N 2 0 342.919 1.193 20 0 EDADRP CCCCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000575444367 447861865 /nfs/dbraw/zinc/86/18/65/447861865.db2.gz YTIDAVYUCNHEKG-UHFFFAOYSA-N 2 0 326.485 1.665 20 0 EDADRP CC(C)(C)OC(=O)NCC1(C[NH2+][C@@H]2CCCN(CCCO)C2)CC1 ZINC000496568176 447822659 /nfs/dbraw/zinc/82/26/59/447822659.db2.gz HJQXZQFZJCZPMO-OAHLLOKOSA-N 2 0 341.496 1.728 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CC[C@H]([C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000496758549 447886793 /nfs/dbraw/zinc/88/67/93/447886793.db2.gz YBHALQDEUUKDRL-KKUMJFAQSA-N 2 0 329.485 1.534 20 0 EDADRP COc1ccc(COC[C@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000575982721 447943045 /nfs/dbraw/zinc/94/30/45/447943045.db2.gz KNQUEUMQIVUYTN-LSDHHAIUSA-N 2 0 331.416 1.443 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000570164105 447956946 /nfs/dbraw/zinc/95/69/46/447956946.db2.gz SPZSDFARQXHMNS-INIZCTEOSA-N 2 0 345.491 1.198 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CC(C)C1 ZINC000552844476 447959140 /nfs/dbraw/zinc/95/91/40/447959140.db2.gz XXYOREBRHRBYEN-SJLPKXTDSA-N 2 0 331.460 1.344 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)C[C@H]12 ZINC000570055062 447940210 /nfs/dbraw/zinc/94/02/10/447940210.db2.gz JMPVUHBTXLUCEA-LMLQULGWSA-N 2 0 333.863 1.839 20 0 EDADRP COc1cccc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525449557 448000175 /nfs/dbraw/zinc/00/01/75/448000175.db2.gz MOQARBBIEDJTSB-OAHLLOKOSA-N 2 0 336.480 1.891 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000530821073 447965179 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340.512 1.471 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000502755641 448105548 /nfs/dbraw/zinc/10/55/48/448105548.db2.gz JNVLPRWAZKZVQG-QZWWFDLISA-N 2 0 338.496 1.364 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000570794834 448064924 /nfs/dbraw/zinc/06/49/24/448064924.db2.gz HYMYHYATDIHPOQ-RCCFBDPRSA-N 2 0 328.497 1.520 20 0 EDADRP CN(C[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007109 448115851 /nfs/dbraw/zinc/11/58/51/448115851.db2.gz FNRKDPXIBDQQSA-DZGCQCFKSA-N 2 0 327.469 1.288 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000531779037 448142565 /nfs/dbraw/zinc/14/25/65/448142565.db2.gz HPMIZHSXLPNTIG-KRWDZBQOSA-N 2 0 328.497 1.595 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000571618258 448178350 /nfs/dbraw/zinc/17/83/50/448178350.db2.gz XQVFWLCGSIAVEX-LUKYLMHMSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000532034124 448185718 /nfs/dbraw/zinc/18/57/18/448185718.db2.gz OARBOULMKLMLGJ-CQSZACIVSA-N 2 0 338.521 1.566 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H]1c1ccccc1 ZINC000577107367 448212144 /nfs/dbraw/zinc/21/21/44/448212144.db2.gz XDXVSEPWEQOUKL-FGTMMUONSA-N 2 0 339.443 1.375 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000532093917 448200378 /nfs/dbraw/zinc/20/03/78/448200378.db2.gz QAOVEVWFXZZQKP-KZNAEPCWSA-N 2 0 336.524 1.486 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000514856528 448215049 /nfs/dbraw/zinc/21/50/49/448215049.db2.gz MGAUMRGYJZHWEO-BBWFWOEESA-N 2 0 327.513 1.026 20 0 EDADRP CC[NH+]1CCC([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000532217421 448217693 /nfs/dbraw/zinc/21/76/93/448217693.db2.gz DRFVZLKYVKIAEJ-SFHVURJKSA-N 2 0 330.432 1.315 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000591097607 448261193 /nfs/dbraw/zinc/26/11/93/448261193.db2.gz PCVHBSMOJMGEKF-FCEWJHQRSA-N 2 0 345.487 1.864 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000572114205 448289653 /nfs/dbraw/zinc/28/96/53/448289653.db2.gz HTDJQMDXMFBNKV-FGTMMUONSA-N 2 0 327.513 1.312 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000572132762 448297915 /nfs/dbraw/zinc/29/79/15/448297915.db2.gz NOJAEJFXAZGEKL-GOSISDBHSA-N 2 0 333.476 1.593 20 0 EDADRP CC[NH2+]CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000582774876 448334690 /nfs/dbraw/zinc/33/46/90/448334690.db2.gz DYTYQHUSGZLZQU-HOTGVXAUSA-N 2 0 326.485 1.053 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000566162929 448400032 /nfs/dbraw/zinc/40/00/32/448400032.db2.gz NHVWZOAXJGMTMB-MAUKXSAKSA-N 2 0 349.475 1.258 20 0 EDADRP Cn1nc(C(F)(F)F)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583004929 448400982 /nfs/dbraw/zinc/40/09/82/448400982.db2.gz UPQJMFJVVAQESV-UHFFFAOYSA-N 2 0 335.374 1.004 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000566182366 448407537 /nfs/dbraw/zinc/40/75/37/448407537.db2.gz HMBANUMZCIBXSA-CQSZACIVSA-N 2 0 349.479 1.060 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)s1 ZINC000577963607 448428883 /nfs/dbraw/zinc/42/88/83/448428883.db2.gz HLJAQYFPNSCIKB-OLZOCXBDSA-N 2 0 331.507 1.503 20 0 EDADRP CCN(C)C[C@@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572732139 448452302 /nfs/dbraw/zinc/45/23/02/448452302.db2.gz UZIBTWIHQYPELF-LJQANCHMSA-N 2 0 334.508 1.933 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000566352572 448452378 /nfs/dbraw/zinc/45/23/78/448452378.db2.gz SGISQFNDWCVEDD-IAGOWNOFSA-N 2 0 338.496 1.135 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC[C@H]21 ZINC000572759586 448458483 /nfs/dbraw/zinc/45/84/83/448458483.db2.gz LCOWKKMJHRMFGO-HYVNUMGLSA-N 2 0 331.464 1.364 20 0 EDADRP COc1cc2c(cc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000591701464 448461395 /nfs/dbraw/zinc/46/13/95/448461395.db2.gz VMYVOAOJYBHXNY-HOTGVXAUSA-N 2 0 347.503 1.992 20 0 EDADRP Cc1cc(N2CCCC2)ccc1NC(=O)CN1CCC(O)(C[NH3+])CC1 ZINC000572884358 448489088 /nfs/dbraw/zinc/48/90/88/448489088.db2.gz BFYPHTQCELBKBL-UHFFFAOYSA-N 2 0 346.475 1.319 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000516902408 448490954 /nfs/dbraw/zinc/49/09/54/448490954.db2.gz DZLCVTCLDNBTPC-UKRRQHHQSA-N 2 0 334.489 1.555 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(CC(=O)NC3C4CC5CC(C4)CC3C5)C2)C1 ZINC000572937997 448498495 /nfs/dbraw/zinc/49/84/95/448498495.db2.gz SZHGSYXSPIOIQI-AVHGTGSPSA-N 2 0 331.504 1.955 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cnc(N(C)C)n3C)C2)CC1 ZINC000591834116 448501813 /nfs/dbraw/zinc/50/18/13/448501813.db2.gz BHBPKKBZYXQLLS-MRXNPFEDSA-N 2 0 334.512 1.086 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000572984846 448516046 /nfs/dbraw/zinc/51/60/46/448516046.db2.gz PGWRFZKPOGAHQU-GXTWGEPZSA-N 2 0 332.379 1.574 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000572999021 448519714 /nfs/dbraw/zinc/51/97/14/448519714.db2.gz ANPGMVVZXQLGJW-JEBQAFNWSA-N 2 0 328.460 1.737 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000517234488 448558966 /nfs/dbraw/zinc/55/89/66/448558966.db2.gz JVYVYDOJKCFRCI-XYJFISCASA-N 2 0 332.492 1.976 20 0 EDADRP CC1CCC([NH+]2CCN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)CC1 ZINC000578500428 448561792 /nfs/dbraw/zinc/56/17/92/448561792.db2.gz HQLOSXXEZGHJCP-ADKAHSJRSA-N 2 0 336.524 1.380 20 0 EDADRP CC[NH2+]CCCNC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000517097699 448537419 /nfs/dbraw/zinc/53/74/19/448537419.db2.gz OGJWSXSYIILIIK-KRWDZBQOSA-N 2 0 347.507 1.496 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000566733710 448547041 /nfs/dbraw/zinc/54/70/41/448547041.db2.gz HCZQLEVQISAXJH-FUHIMQAGSA-N 3 0 349.519 1.350 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@@H]2C1 ZINC000528715770 448641852 /nfs/dbraw/zinc/64/18/52/448641852.db2.gz WJURBBURERBGOJ-CZUORRHYSA-N 2 0 330.432 1.727 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCN1CCc2ccccc21 ZINC000573493143 448641924 /nfs/dbraw/zinc/64/19/24/448641924.db2.gz CISZBTIKVKAFDD-HDICACEKSA-N 2 0 342.487 1.097 20 0 EDADRP CC(C)n1nccc1NC(=O)[C@H](C)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276672 448656492 /nfs/dbraw/zinc/65/64/92/448656492.db2.gz QYMPAXNABPGERY-LSDHHAIUSA-N 2 0 349.479 1.478 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCn2ccc3ccccc32)CC1 ZINC000573556991 448657004 /nfs/dbraw/zinc/65/70/04/448657004.db2.gz MANJRLJFNABYEV-GOSISDBHSA-N 2 0 330.476 1.229 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)Nc1cccc(Oc2ccncc2)c1 ZINC000528683575 448628765 /nfs/dbraw/zinc/62/87/65/448628765.db2.gz YADDSEIVTMBESD-AWEZNQCLSA-N 2 0 328.372 1.984 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@H]1c1cccs1 ZINC000579025436 448698880 /nfs/dbraw/zinc/69/88/80/448698880.db2.gz CNOHWULMRADSGC-DOMZBBRYSA-N 2 0 348.476 1.111 20 0 EDADRP COC(=O)[C@@H]1C[NH+](CC(C)C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129445 448699533 /nfs/dbraw/zinc/69/95/33/448699533.db2.gz DEQSXYVQTOZLHY-KLHDSHLOSA-N 2 0 340.464 1.104 20 0 EDADRP CC(C)[NH2+]CCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000567470142 448700595 /nfs/dbraw/zinc/70/05/95/448700595.db2.gz QIHRIZDEABTVQX-UHFFFAOYSA-N 2 0 347.507 1.971 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000592095624 448679383 /nfs/dbraw/zinc/67/93/83/448679383.db2.gz YDXRXRAVEFCIHB-RBUKOAKNSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000567818063 448767152 /nfs/dbraw/zinc/76/71/52/448767152.db2.gz SYQJOFXNVLQBKU-YFHUEUNASA-N 2 0 337.508 1.722 20 0 EDADRP COc1cccc([C@H](CNC[C@@H](O)C[N@H+](C)C2CC2)[NH+]2CCCC2)c1 ZINC000567679700 448735971 /nfs/dbraw/zinc/73/59/71/448735971.db2.gz CPJSUHNLLQWOHU-QUCCMNQESA-N 2 0 347.503 1.877 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000579241774 448751893 /nfs/dbraw/zinc/75/18/93/448751893.db2.gz INCZJSYGJUDMGZ-QGZVFWFLSA-N 2 0 336.524 1.204 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529282995 448806288 /nfs/dbraw/zinc/80/62/88/448806288.db2.gz NYAZKUYSIJSEAV-ROUUACIJSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000529314760 448818678 /nfs/dbraw/zinc/81/86/78/448818678.db2.gz HUGOZCXIQYZLNX-NVXWUHKLSA-N 2 0 346.475 1.457 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592450709 448844460 /nfs/dbraw/zinc/84/44/60/448844460.db2.gz WNJHOLJLCUIFMR-DOMZBBRYSA-N 2 0 343.431 1.158 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@H](C)C1 ZINC000574403139 448865722 /nfs/dbraw/zinc/86/57/22/448865722.db2.gz XTAGSTLVRHUVJJ-NJAFHUGGSA-N 2 0 337.508 1.866 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592566550 448903664 /nfs/dbraw/zinc/90/36/64/448903664.db2.gz LVPANSFCNUIFLL-RDJZCZTQSA-N 2 0 341.459 1.929 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504368 448887744 /nfs/dbraw/zinc/88/77/44/448887744.db2.gz CXQUXPQAJDVKJU-CRAIPNDOSA-N 2 0 330.476 1.905 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)c21 ZINC000592543751 448890377 /nfs/dbraw/zinc/89/03/77/448890377.db2.gz GYNATMGLUUCNSV-ZDUSSCGKSA-N 2 0 325.416 1.252 20 0 EDADRP Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2cccnc2)n1 ZINC000579832514 448890646 /nfs/dbraw/zinc/89/06/46/448890646.db2.gz GKIOBUFJPVPEKL-QGZVFWFLSA-N 2 0 341.459 1.669 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000548023092 448968631 /nfs/dbraw/zinc/96/86/31/448968631.db2.gz QOVWNYJZXOLQDT-CABCVRRESA-N 2 0 336.505 1.684 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000569334773 449004458 /nfs/dbraw/zinc/00/44/58/449004458.db2.gz BANUJMJPPVMSDK-XIRDDKMYSA-N 2 0 348.516 1.735 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000575309243 449073159 /nfs/dbraw/zinc/07/31/59/449073159.db2.gz KPHJGGMMFLQWDG-KRWDZBQOSA-N 2 0 346.475 1.208 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592955563 449075106 /nfs/dbraw/zinc/07/51/06/449075106.db2.gz AANMNVIMVYXULK-JKSUJKDBSA-N 2 0 347.507 1.961 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592955751 449076084 /nfs/dbraw/zinc/07/60/84/449076084.db2.gz OUWMIWSQPJEBAA-CQSZACIVSA-N 2 0 341.459 1.711 20 0 EDADRP CN(C(=O)NC1CCN(c2ccccn2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522080575 449049114 /nfs/dbraw/zinc/04/91/14/449049114.db2.gz QIOWOHKMPKJRBH-QGZVFWFLSA-N 2 0 343.475 1.929 20 0 EDADRP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000582278091 449054015 /nfs/dbraw/zinc/05/40/15/449054015.db2.gz FRWPDKQFNIIXHI-OAHLLOKOSA-N 2 0 334.468 1.674 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000522201058 449062663 /nfs/dbraw/zinc/06/26/63/449062663.db2.gz NDRBEBFDDHFYQT-MSOLQXFVSA-N 2 0 330.476 1.750 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000604654799 449269583 /nfs/dbraw/zinc/26/95/83/449269583.db2.gz QQHWDUIHQWEUHS-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@@H]1CCC[NH3+] ZINC000595973815 449292857 /nfs/dbraw/zinc/29/28/57/449292857.db2.gz OMXAMKOQTOGSAD-IJEWVQPXSA-N 2 0 333.480 1.699 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000598452519 449402047 /nfs/dbraw/zinc/40/20/47/449402047.db2.gz LICODFQRIAPWEK-INIZCTEOSA-N 2 0 343.537 1.119 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000614066893 449441471 /nfs/dbraw/zinc/44/14/71/449441471.db2.gz LTWPTXOVKDNTDG-HXUWFJFHSA-N 2 0 345.487 1.350 20 0 EDADRP COc1ccc(NC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000602283952 449490417 /nfs/dbraw/zinc/49/04/17/449490417.db2.gz YAZSHTDEIDKDQU-CQSZACIVSA-N 2 0 333.436 1.380 20 0 EDADRP COC(=O)c1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(OC)c1 ZINC000600738722 449527298 /nfs/dbraw/zinc/52/72/98/449527298.db2.gz KIRMZENFMDUNPN-MRXNPFEDSA-N 2 0 336.432 1.071 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)n2c1CCCC2 ZINC000598638700 449512048 /nfs/dbraw/zinc/51/20/48/449512048.db2.gz ZATIWSHAWHXCRD-UHFFFAOYSA-N 2 0 335.448 1.157 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000594587185 449585614 /nfs/dbraw/zinc/58/56/14/449585614.db2.gz QKCVCJDNSFIZPF-ULQDDVLXSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000617701454 449747253 /nfs/dbraw/zinc/74/72/53/449747253.db2.gz XRCAEIXXFPJJJM-GOSISDBHSA-N 2 0 331.460 1.211 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601218979 449755830 /nfs/dbraw/zinc/75/58/30/449755830.db2.gz MRONGWZMUZHWTL-SJORKVTESA-N 2 0 340.512 1.515 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)on1 ZINC000602708045 449761722 /nfs/dbraw/zinc/76/17/22/449761722.db2.gz YNAIJXRRVOVNNB-UHFFFAOYSA-N 2 0 337.420 1.442 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)[C@@H](C)C1 ZINC000594926728 449810136 /nfs/dbraw/zinc/81/01/36/449810136.db2.gz UEHGSJQGDXEDSY-QEOTZNIISA-N 2 0 326.481 1.911 20 0 EDADRP CCOC(=O)C1(C)CC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000601274606 449791881 /nfs/dbraw/zinc/79/18/81/449791881.db2.gz USFWPZIGQYWIDX-UHFFFAOYSA-N 2 0 332.448 1.977 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000608648276 449896866 /nfs/dbraw/zinc/89/68/66/449896866.db2.gz QVJBSIPLAMMXAS-KRWDZBQOSA-N 2 0 330.476 1.479 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)ccc1F ZINC000612969354 449963064 /nfs/dbraw/zinc/96/30/64/449963064.db2.gz DOZGNAPZNBAPDY-MRXNPFEDSA-N 2 0 334.439 1.829 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595312052 450025372 /nfs/dbraw/zinc/02/53/72/450025372.db2.gz KWNBTMXPGQJTEU-BRSBDYLESA-N 2 0 334.508 1.146 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH+](C)C)CC1 ZINC000613719280 450277621 /nfs/dbraw/zinc/27/76/21/450277621.db2.gz DYOLDQLIXXKBDQ-GOSISDBHSA-N 2 0 331.460 1.176 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCOC3CCOCC3)CC2)CC1 ZINC000625482576 450385891 /nfs/dbraw/zinc/38/58/91/450385891.db2.gz RFYLZHPDYBVMSV-UHFFFAOYSA-N 2 0 339.524 1.674 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620483059 450501330 /nfs/dbraw/zinc/50/13/30/450501330.db2.gz XLRUUHCNFLWGJA-OAHLLOKOSA-N 2 0 337.489 1.481 20 0 EDADRP COc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623408862 450517216 /nfs/dbraw/zinc/51/72/16/450517216.db2.gz HHNPKSJMXWMGBM-HNNXBMFYSA-N 2 0 333.476 1.962 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCOCCC[NH3+] ZINC000625835478 450518197 /nfs/dbraw/zinc/51/81/97/450518197.db2.gz ZLRJVQJXVZGQON-UHFFFAOYSA-N 2 0 349.479 1.234 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000625943976 450539380 /nfs/dbraw/zinc/53/93/80/450539380.db2.gz BHUAUIWAMBQURJ-HZPDHXFCSA-N 2 0 330.432 1.917 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000623621546 450553478 /nfs/dbraw/zinc/55/34/78/450553478.db2.gz KGVYJRCPRACZSL-RTBURBONSA-N 2 0 334.460 1.791 20 0 EDADRP O=C(NCC[NH+]1CCC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000626240999 450642983 /nfs/dbraw/zinc/64/29/83/450642983.db2.gz QQXAOGMPISLDML-RBUKOAKNSA-N 2 0 327.472 1.967 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000629417950 450662484 /nfs/dbraw/zinc/66/24/84/450662484.db2.gz LICNKEFBXYSFQO-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000633112845 450693705 /nfs/dbraw/zinc/69/37/05/450693705.db2.gz JKKPUTJFIAXSDB-UHFFFAOYSA-N 2 0 338.496 1.049 20 0 EDADRP Cn1c2cc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)ccc2oc1=O ZINC000629550477 450730569 /nfs/dbraw/zinc/73/05/69/450730569.db2.gz YSVPRSGNLHPBDM-RRFJBIMHSA-N 2 0 331.416 1.378 20 0 EDADRP O=C1[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCN1C1CCC1 ZINC000629555833 450732959 /nfs/dbraw/zinc/73/29/59/450732959.db2.gz FYFDFXOXQKGMIL-UWVAXJGDSA-N 2 0 341.455 1.985 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000629553885 450733154 /nfs/dbraw/zinc/73/31/54/450733154.db2.gz DCMLWQRQZDQGAU-MSOLQXFVSA-N 2 0 332.492 1.335 20 0 EDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CN1C1CC1 ZINC000631743868 450745272 /nfs/dbraw/zinc/74/52/72/450745272.db2.gz FGHMYAVCGHMUEF-NSNWQYSKSA-N 2 0 341.521 1.594 20 0 EDADRP CC(C)Cc1ccc([C@@H](CNc2nc(N)[nH+]c(N)n2)[NH+](C)C)cc1 ZINC000624223838 450754540 /nfs/dbraw/zinc/75/45/40/450754540.db2.gz FNZNDDIZGMGQJM-CQSZACIVSA-N 2 0 329.452 1.032 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]CC1=Cc2ccccc2OC1)N1CC[NH2+]CC1 ZINC000629649061 450770490 /nfs/dbraw/zinc/77/04/90/450770490.db2.gz GTMWEQXKNKSWDN-INIZCTEOSA-N 2 0 341.377 1.888 20 0 EDADRP COc1ccc([C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1F ZINC000629672467 450776667 /nfs/dbraw/zinc/77/66/67/450776667.db2.gz OOUJJFPZZGKMOX-GDBMZVCRSA-N 2 0 349.450 1.821 20 0 EDADRP C[C@@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000621651216 450815001 /nfs/dbraw/zinc/81/50/01/450815001.db2.gz ISVDMKXLKPWEEF-SJORKVTESA-N 2 0 337.508 1.916 20 0 EDADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000635286785 450817401 /nfs/dbraw/zinc/81/74/01/450817401.db2.gz GNTHJFNJCFPLRW-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NCC[NH2+]C1CCCCCC1 ZINC000631906460 450865523 /nfs/dbraw/zinc/86/55/23/450865523.db2.gz MZIVSSLDZCREAK-UHFFFAOYSA-N 2 0 331.526 1.704 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1)c1ccccc1 ZINC000621783771 450867079 /nfs/dbraw/zinc/86/70/79/450867079.db2.gz GDKNAJHDJLKQEL-LMMKCTJWSA-N 2 0 330.476 1.219 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631936769 450894765 /nfs/dbraw/zinc/89/47/65/450894765.db2.gz LOWDZCPIGHCFHM-UHFFFAOYSA-N 2 0 339.505 1.306 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631949164 450908289 /nfs/dbraw/zinc/90/82/89/450908289.db2.gz AVDYKEAEBMTEMM-QGZVFWFLSA-N 2 0 343.537 1.514 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000626846061 450952257 /nfs/dbraw/zinc/95/22/57/450952257.db2.gz MYXJCBLYKFYBOG-KRWDZBQOSA-N 2 0 346.475 1.186 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000626894534 450991209 /nfs/dbraw/zinc/99/12/09/450991209.db2.gz ZWSIBYRODSCVEY-PBHICJAKSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000635469690 450968954 /nfs/dbraw/zinc/96/89/54/450968954.db2.gz BTNWWINKYJHYOJ-KSZLIROESA-N 2 0 336.524 1.345 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@@H](C)C1 ZINC000632026769 450978429 /nfs/dbraw/zinc/97/84/29/450978429.db2.gz LWFFAQYZAQJSRT-JKSUJKDBSA-N 2 0 331.526 1.464 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000626974765 451044168 /nfs/dbraw/zinc/04/41/68/451044168.db2.gz JSTHEQVWRBEUHT-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000626921834 451006609 /nfs/dbraw/zinc/00/66/09/451006609.db2.gz KBBCHOGUYOFRIE-CQSZACIVSA-N 2 0 340.493 1.550 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626931047 451013668 /nfs/dbraw/zinc/01/36/68/451013668.db2.gz QBNSZPQGZZESSG-UHFFFAOYSA-N 2 0 348.491 1.624 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000626946342 451025827 /nfs/dbraw/zinc/02/58/27/451025827.db2.gz XKLIXYSIEQVRNZ-DOTOQJQBSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000626952958 451030926 /nfs/dbraw/zinc/03/09/26/451030926.db2.gz JXLLWSCGKNMZEG-VKJFTORMSA-N 2 0 330.476 1.873 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000626956410 451033443 /nfs/dbraw/zinc/03/34/43/451033443.db2.gz NIYWGKUKJKYPIE-ZBFHGGJFSA-N 2 0 334.464 1.567 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000632113386 451046053 /nfs/dbraw/zinc/04/60/53/451046053.db2.gz ZNBSSNCAVYLVDY-UHFFFAOYSA-N 2 0 343.537 1.752 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626966462 451039362 /nfs/dbraw/zinc/03/93/62/451039362.db2.gz VPOFINAPMYIKQO-RWMBFGLXSA-N 2 0 338.418 1.885 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000626970172 451040861 /nfs/dbraw/zinc/04/08/61/451040861.db2.gz KGSRVONJEPESAW-NQBHXWOUSA-N 2 0 336.402 1.638 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000626986990 451052850 /nfs/dbraw/zinc/05/28/50/451052850.db2.gz TULMULBFYRWPSX-LPWJVIDDSA-N 2 0 336.402 1.638 20 0 EDADRP C[C@H](CCNC(=O)NC[C@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000626991657 451057514 /nfs/dbraw/zinc/05/75/14/451057514.db2.gz JQFHGFHPDQQSDF-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000626994870 451060589 /nfs/dbraw/zinc/06/05/89/451060589.db2.gz KWFKTNKRGUAQKV-SJLPKXTDSA-N 2 0 348.491 1.656 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000626998406 451064875 /nfs/dbraw/zinc/06/48/75/451064875.db2.gz MNMKFBGFEXWCMU-RDJZCZTQSA-N 2 0 334.464 1.314 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635570118 451068355 /nfs/dbraw/zinc/06/83/55/451068355.db2.gz YYZCWUCTFFOVEG-ZWKOTPCHSA-N 2 0 344.459 1.025 20 0 EDADRP C[C@H](C(=O)NC1CCC(CN(C)C(=O)[C@@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000635573319 451071914 /nfs/dbraw/zinc/07/19/14/451071914.db2.gz ZHWNXGFSNJEQEI-WXLSXGNJSA-N 2 0 340.512 1.020 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H]1CC[NH2+]C12CCC2)CCC(F)(F)F ZINC000627019559 451084348 /nfs/dbraw/zinc/08/43/48/451084348.db2.gz HVZGNMJFNODAJL-LBPRGKRZSA-N 2 0 336.402 1.845 20 0 EDADRP CN1CCC(CNC(=O)C[C@H]2CC[N@H+](C)C2)([NH+]2CCCCC2)CC1 ZINC000635617146 451108085 /nfs/dbraw/zinc/10/80/85/451108085.db2.gz ZNOYWICFECUERR-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP CN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641382 451129720 /nfs/dbraw/zinc/12/97/20/451129720.db2.gz SKMRNRYBZLAGOU-ICSRJNTNSA-N 2 0 345.487 1.545 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134170 451142817 /nfs/dbraw/zinc/14/28/17/451142817.db2.gz MOWMARJUUBFMFF-INIZCTEOSA-N 3 0 339.528 1.186 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC000627210151 451189293 /nfs/dbraw/zinc/18/92/93/451189293.db2.gz MTJHZMAKNAIBMY-GOEBONIOSA-N 2 0 338.496 1.317 20 0 EDADRP CCN(C(=O)NCCOCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627216901 451192016 /nfs/dbraw/zinc/19/20/16/451192016.db2.gz XHDAPBDFAQLFFB-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000630466506 451205477 /nfs/dbraw/zinc/20/54/77/451205477.db2.gz CEYWYEFVCKBIDT-MRXNPFEDSA-N 2 0 345.447 1.605 20 0 EDADRP CN(C(=O)C1=CC[C@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000638087492 451252199 /nfs/dbraw/zinc/25/21/99/451252199.db2.gz BOKWJCDQXVBDDM-INIZCTEOSA-N 2 0 328.460 1.594 20 0 EDADRP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117569 451286306 /nfs/dbraw/zinc/28/63/06/451286306.db2.gz MLJHHHGRMQGGKX-QUCCMNQESA-N 2 0 345.487 1.926 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638103381 451271100 /nfs/dbraw/zinc/27/11/00/451271100.db2.gz MHNZYMUEQVRWPR-LJQANCHMSA-N 2 0 349.475 1.389 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638127630 451299434 /nfs/dbraw/zinc/29/94/34/451299434.db2.gz WXTCSKWZAGMBCZ-PKOBYXMFSA-N 2 0 331.460 1.475 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CCC1 ZINC000638161637 451330201 /nfs/dbraw/zinc/33/02/01/451330201.db2.gz GXGLUYXWMJBMIP-MJGOQNOKSA-N 2 0 343.471 1.523 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638248463 451380498 /nfs/dbraw/zinc/38/04/98/451380498.db2.gz SVEAVUDHGPZICU-DOTOQJQBSA-N 2 0 331.460 1.521 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1)C(F)F ZINC000638257966 451384404 /nfs/dbraw/zinc/38/44/04/451384404.db2.gz DPZMLAVSMDSVFU-NXEZZACHSA-N 2 0 325.281 1.804 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638289326 451406659 /nfs/dbraw/zinc/40/66/59/451406659.db2.gz NTDHXMDGDFRMLW-FUHWJXTLSA-N 2 0 332.448 1.181 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630871006 451452255 /nfs/dbraw/zinc/45/22/55/451452255.db2.gz FDGLQAHHXKKIJN-KRWDZBQOSA-N 2 0 335.496 1.829 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)c1 ZINC000638355487 451457877 /nfs/dbraw/zinc/45/78/77/451457877.db2.gz HTOPXOWZYFQZCG-RVNGWTIRSA-N 2 0 343.471 1.965 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCOC1 ZINC000638368516 451466712 /nfs/dbraw/zinc/46/67/12/451466712.db2.gz XSBWGWULACQUSC-PMACEKPBSA-N 2 0 347.503 1.575 20 0 EDADRP COc1ccc(CN2CC[C@@H]2C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000636052368 451467534 /nfs/dbraw/zinc/46/75/34/451467534.db2.gz CQIIUICJNGSMAU-FUHWJXTLSA-N 2 0 331.460 1.822 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634715577 451495363 /nfs/dbraw/zinc/49/53/63/451495363.db2.gz GEULMJHYPYQSAH-VQTJNVASSA-N 2 0 331.504 1.945 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC(n3cccn3)C2)CC1 ZINC000638455757 451525238 /nfs/dbraw/zinc/52/52/38/451525238.db2.gz ZEJUKDZDIFXBDP-UHFFFAOYSA-N 2 0 326.448 1.523 20 0 EDADRP CC[NH+]1CCC([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000631035871 451544311 /nfs/dbraw/zinc/54/43/11/451544311.db2.gz XSNKHINZYZDYGK-UHFFFAOYSA-N 2 0 347.503 1.972 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638513481 451552107 /nfs/dbraw/zinc/55/21/07/451552107.db2.gz MKMCOAZPZBBION-QYZOEREBSA-N 2 0 345.487 1.719 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000638526775 451558107 /nfs/dbraw/zinc/55/81/07/451558107.db2.gz PSRSZZIUAYSIOF-DLBZAZTESA-N 2 0 344.459 1.447 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638552646 451573633 /nfs/dbraw/zinc/57/36/33/451573633.db2.gz ORVYHCAGGKUWBJ-XMTFNYHQSA-N 2 0 325.497 1.186 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000629175907 451581927 /nfs/dbraw/zinc/58/19/27/451581927.db2.gz ZSMYQNGRYPTPLR-QGZVFWFLSA-N 2 0 326.400 1.044 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638618168 451611491 /nfs/dbraw/zinc/61/14/91/451611491.db2.gz LKERQKJBXXVHGT-NVXWUHKLSA-N 2 0 335.423 1.142 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000638565232 451579924 /nfs/dbraw/zinc/57/99/24/451579924.db2.gz YOQVNGQVOWIVKD-AAEUAGOBSA-N 2 0 347.385 1.044 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[NH2+]1 ZINC000638640444 451626436 /nfs/dbraw/zinc/62/64/36/451626436.db2.gz BNYDOHCANKIIFO-QAPCUYQASA-N 2 0 330.476 1.304 20 0 EDADRP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nnn1C[C@@H]1CCOC1 ZINC000631179602 451628591 /nfs/dbraw/zinc/62/85/91/451628591.db2.gz VSKRAGHOWLMWOG-KRWDZBQOSA-N 2 0 333.480 1.526 20 0 EDADRP CO[C@]1(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCOC1 ZINC000638721370 451665326 /nfs/dbraw/zinc/66/53/26/451665326.db2.gz ZJYANIFCKHTPEB-SFHVURJKSA-N 2 0 341.496 1.008 20 0 EDADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779289 451687768 /nfs/dbraw/zinc/68/77/68/451687768.db2.gz JEMZZFKSUQUTRH-PKOBYXMFSA-N 2 0 343.471 1.491 20 0 EDADRP C[C@H]1C[C@H](CC[NH2+]Cc2cnc(N)nc2N)C[N@@H+]1Cc1ccccc1 ZINC000638797150 451694334 /nfs/dbraw/zinc/69/43/34/451694334.db2.gz PASUQGRKPNXSIY-HOCLYGCPSA-N 2 0 340.475 1.692 20 0 EDADRP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000638799810 451695260 /nfs/dbraw/zinc/69/52/60/451695260.db2.gz QNVZGGFPWFAYFU-PVAVHDDUSA-N 2 0 335.517 1.759 20 0 EDADRP C[C@@H](C[C@@H]1CCCC(=O)N1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000638811439 451699186 /nfs/dbraw/zinc/69/91/86/451699186.db2.gz VAFRRGZUXGKWQH-GJZGRUSLSA-N 2 0 331.464 1.693 20 0 EDADRP C[C@@]1(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638852189 451711127 /nfs/dbraw/zinc/71/11/27/451711127.db2.gz VRVCJPQCWALLAB-QUCCMNQESA-N 2 0 345.487 1.926 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000638727047 451667474 /nfs/dbraw/zinc/66/74/74/451667474.db2.gz DAOYVYVDBBXMTQ-IRXDYDNUSA-N 2 0 335.492 1.620 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CN(c3ccncn3)C2)cc1 ZINC000631258118 451667634 /nfs/dbraw/zinc/66/76/34/451667634.db2.gz MKSCPZWKOZVGCW-UHFFFAOYSA-N 2 0 327.432 1.395 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)cn2)CC1 ZINC000632960712 451670158 /nfs/dbraw/zinc/67/01/58/451670158.db2.gz JTMDHIRWIPNPPK-INIZCTEOSA-N 2 0 346.479 1.946 20 0 EDADRP [NH3+]CCNC(=O)N1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000637098974 451723708 /nfs/dbraw/zinc/72/37/08/451723708.db2.gz SIRSKDAQNNEWAA-UHFFFAOYSA-N 2 0 330.354 1.491 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636473574 451726836 /nfs/dbraw/zinc/72/68/36/451726836.db2.gz CQKVHGKDFGRJDM-QZTJIDSGSA-N 2 0 348.491 1.435 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000638925056 451737548 /nfs/dbraw/zinc/73/75/48/451737548.db2.gz HTTPYIYZCALVEC-GUTXKFCHSA-N 2 0 338.249 1.586 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000638925199 451737559 /nfs/dbraw/zinc/73/75/59/451737559.db2.gz KJASRHGLVFWLDO-CALCHBBNSA-N 2 0 328.460 1.405 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1CCOC1 ZINC000638970274 451743479 /nfs/dbraw/zinc/74/34/79/451743479.db2.gz KPEKWZQXLCYRDB-HSALFYBXSA-N 2 0 348.487 1.784 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)C3([NH3+])Cc4ccccc4C3)cn2)CC1 ZINC000638977293 451744315 /nfs/dbraw/zinc/74/43/15/451744315.db2.gz JTNXOJCSLMBBRJ-UHFFFAOYSA-N 2 0 339.443 1.585 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000638984750 451745885 /nfs/dbraw/zinc/74/58/85/451745885.db2.gz QKPMVHQHKDGUAU-JKSUJKDBSA-N 3 0 329.448 1.065 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000641076286 451745960 /nfs/dbraw/zinc/74/59/60/451745960.db2.gz RIQCOGCNSQHZIZ-NXHRZFHOSA-N 2 0 348.466 1.960 20 0 EDADRP Cc1ccc(OCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638986804 451747418 /nfs/dbraw/zinc/74/74/18/451747418.db2.gz CEOIJBKQWZWIIR-UHFFFAOYSA-N 2 0 326.400 1.817 20 0 EDADRP COc1ccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638987472 451747812 /nfs/dbraw/zinc/74/78/12/451747812.db2.gz RAQZGQDXYNUEOO-UHFFFAOYSA-N 2 0 326.400 1.681 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987476 451747915 /nfs/dbraw/zinc/74/79/15/451747915.db2.gz RBGZJOYUZKYJAE-CVEARBPZSA-N 3 0 331.464 1.727 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001407 451750252 /nfs/dbraw/zinc/75/02/52/451750252.db2.gz KXLNYZCRVGCVKJ-UYAOXDASSA-N 2 0 345.487 1.844 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)c2ccccc21 ZINC000639068673 451760918 /nfs/dbraw/zinc/76/09/18/451760918.db2.gz YYFXJIZFUVFXCC-STQMWFEESA-N 2 0 325.416 1.579 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000642244560 451842745 /nfs/dbraw/zinc/84/27/45/451842745.db2.gz ZLVJWYHDNGBPCG-CVEARBPZSA-N 2 0 340.512 1.201 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C(F)(F)F ZINC000644564270 451864901 /nfs/dbraw/zinc/86/49/01/451864901.db2.gz IZRXZIKFNIRARH-HNNXBMFYSA-N 2 0 332.366 1.656 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC1CCOCC1 ZINC000644582540 451875532 /nfs/dbraw/zinc/87/55/32/451875532.db2.gz VJLOVVQRRUSPNO-GOSISDBHSA-N 2 0 340.508 1.930 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CCO1 ZINC000646846098 451883134 /nfs/dbraw/zinc/88/31/34/451883134.db2.gz NXPXKKSRKCXGSE-MLGOLLRUSA-N 2 0 331.416 1.683 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000642753710 451950575 /nfs/dbraw/zinc/95/05/75/451950575.db2.gz XYWADRCWCHXZLX-NJINODPHSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+]1CCC(CC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000644699940 451942324 /nfs/dbraw/zinc/94/23/24/451942324.db2.gz DUVJHLCWKLKMDY-SFHVURJKSA-N 2 0 331.460 1.924 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000649288750 451964631 /nfs/dbraw/zinc/96/46/31/451964631.db2.gz FEQPANHFFNDUOL-LJQANCHMSA-N 2 0 333.476 1.912 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000649304981 451981342 /nfs/dbraw/zinc/98/13/42/451981342.db2.gz UCIKFMCZZWEURW-WMZOPIPTSA-N 2 0 341.459 1.012 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000649311367 451989129 /nfs/dbraw/zinc/98/91/29/451989129.db2.gz KWIFHMKZAJPODE-CJNGLKHVSA-N 2 0 332.448 1.890 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000649321709 452000576 /nfs/dbraw/zinc/00/05/76/452000576.db2.gz NGILCOLEKBRDIA-LJQANCHMSA-N 2 0 349.475 1.402 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[C@H]1[NH3+] ZINC000647009924 452002697 /nfs/dbraw/zinc/00/26/97/452002697.db2.gz KUIBGPLGDCELAH-FGTMMUONSA-N 2 0 330.476 1.879 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336685 452018281 /nfs/dbraw/zinc/01/82/81/452018281.db2.gz MPMZBYXFTGJDOJ-KBAYOESNSA-N 2 0 331.460 1.249 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000653563319 452018313 /nfs/dbraw/zinc/01/83/13/452018313.db2.gz GOXIDBPJISHVHW-AZUAARDMSA-N 2 0 349.519 1.522 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649344886 452025998 /nfs/dbraw/zinc/02/59/98/452025998.db2.gz WKMRVSMCGAVTPL-FXAWDEMLSA-N 2 0 345.487 1.878 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000649351779 452036092 /nfs/dbraw/zinc/03/60/92/452036092.db2.gz RGYCJDBXMSWMIN-WMZOPIPTSA-N 2 0 330.476 1.748 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCC[C@@H]1CCC[NH2+]1 ZINC000649366050 452044904 /nfs/dbraw/zinc/04/49/04/452044904.db2.gz OYAZZEQHILLITR-SFHVURJKSA-N 2 0 344.503 1.847 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]3C[NH3+])CC2)nc1 ZINC000649374029 452049478 /nfs/dbraw/zinc/04/94/78/452049478.db2.gz DPZKZFJRKHDDQH-SJORKVTESA-N 2 0 345.491 1.167 20 0 EDADRP CCC[C@H]1CN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000649379196 452052703 /nfs/dbraw/zinc/05/27/03/452052703.db2.gz QXGSCQAKNKWVHJ-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP COc1cc(OC)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000651765037 452062285 /nfs/dbraw/zinc/06/22/85/452062285.db2.gz AQEKCFRCPIZNHM-AWEZNQCLSA-N 2 0 339.455 1.959 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000637803534 452090940 /nfs/dbraw/zinc/09/09/40/452090940.db2.gz DMJFDXHUHIFYTM-GOSISDBHSA-N 2 0 341.455 1.986 20 0 EDADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)cn1 ZINC000639758629 452096074 /nfs/dbraw/zinc/09/60/74/452096074.db2.gz WSWJAMSJDIAGPM-MRXNPFEDSA-N 2 0 331.464 1.333 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000653776639 452110158 /nfs/dbraw/zinc/11/01/58/452110158.db2.gz ALLCEDPGRGNCNA-LJQANCHMSA-N 2 0 345.487 1.688 20 0 EDADRP CC[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C(=O)NCc1cccs1 ZINC000647241310 452142349 /nfs/dbraw/zinc/14/23/49/452142349.db2.gz KJDDRGRTXBRSON-AWEZNQCLSA-N 2 0 335.477 1.732 20 0 EDADRP C[C@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000641623178 452143186 /nfs/dbraw/zinc/14/31/86/452143186.db2.gz GANWIQPRIZYHJW-IAGOWNOFSA-N 2 0 345.553 1.854 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)[NH+]2CCCC2)cc1 ZINC000645160086 452184461 /nfs/dbraw/zinc/18/44/61/452184461.db2.gz YOUPIJIQJBQVRP-IAGOWNOFSA-N 2 0 331.460 1.946 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000651992740 452210393 /nfs/dbraw/zinc/21/03/93/452210393.db2.gz BECWLVOCLFIWHK-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000639876330 452213944 /nfs/dbraw/zinc/21/39/44/452213944.db2.gz DIWWAXAXYDHJFQ-DLBZAZTESA-N 2 0 325.497 1.017 20 0 EDADRP Nc1cnccc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000641716750 452215217 /nfs/dbraw/zinc/21/52/17/452215217.db2.gz PJVUJJSFDSODJV-UHFFFAOYSA-N 2 0 341.463 1.146 20 0 EDADRP c1nc(NC2CC2)cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000641717627 452215661 /nfs/dbraw/zinc/21/56/61/452215661.db2.gz DOVDIYRQPZIBLF-INIZCTEOSA-N 2 0 346.479 1.259 20 0 EDADRP Cn1ccnc1[C@@H](C1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000637982717 452227548 /nfs/dbraw/zinc/22/75/48/452227548.db2.gz WLUHTJHKMLKCIV-MRXNPFEDSA-N 2 0 333.480 1.261 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C1CCN(c2nccs2)CC1 ZINC000641769881 452244432 /nfs/dbraw/zinc/24/44/32/452244432.db2.gz FOFFUPDPEHHKKJ-HNNXBMFYSA-N 2 0 326.510 1.794 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CN1CCOc1ccccc1 ZINC000647550260 452277485 /nfs/dbraw/zinc/27/74/85/452277485.db2.gz IJGARRGXYFMXPL-MLHJIOFPSA-N 2 0 343.471 1.644 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000655487929 452286612 /nfs/dbraw/zinc/28/66/12/452286612.db2.gz QHHZDQOJMHVSKH-PQHDGLIZSA-N 2 0 341.496 1.133 20 0 EDADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514451 452323608 /nfs/dbraw/zinc/32/36/08/452323608.db2.gz QSJLETFLWUIBAV-ZIAGYGMSSA-N 2 0 329.366 1.904 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652136819 452332169 /nfs/dbraw/zinc/33/21/69/452332169.db2.gz ZQGRGIZRRKCIMH-SFHVURJKSA-N 2 0 332.492 1.848 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000638054346 452334307 /nfs/dbraw/zinc/33/43/07/452334307.db2.gz OUWSWRJJAAZMLD-HKUYNNGSSA-N 2 0 331.460 1.666 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCOC1 ZINC000638055596 452342360 /nfs/dbraw/zinc/34/23/60/452342360.db2.gz UHZWBLZRJBQQFN-IBGZPJMESA-N 2 0 331.460 1.654 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638060568 452351396 /nfs/dbraw/zinc/35/13/96/452351396.db2.gz XJAJTKKNRZAKFS-QZTJIDSGSA-N 2 0 332.492 1.388 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)cc1 ZINC000638060788 452352045 /nfs/dbraw/zinc/35/20/45/452352045.db2.gz RBHUBEJQQZCUMD-GOSISDBHSA-N 2 0 335.448 1.724 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000652170946 452365739 /nfs/dbraw/zinc/36/57/39/452365739.db2.gz XHJRJIORSQDMNG-IRXDYDNUSA-N 2 0 338.496 1.053 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000659511477 452375099 /nfs/dbraw/zinc/37/50/99/452375099.db2.gz QFEKUUXCTXUQEW-OXXUSNJHSA-N 2 0 348.466 1.959 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638071974 452381352 /nfs/dbraw/zinc/38/13/52/452381352.db2.gz JFBODRHDKURKQR-LEUOFYLZSA-N 2 0 331.460 1.662 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663640072 452383038 /nfs/dbraw/zinc/38/30/38/452383038.db2.gz BJOOKQVOQOOWKU-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000638075155 452385306 /nfs/dbraw/zinc/38/53/06/452385306.db2.gz GORAPTHDPJXPME-MJGOQNOKSA-N 2 0 337.508 1.868 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000659526115 452389117 /nfs/dbraw/zinc/38/91/17/452389117.db2.gz KWEYMAVGIBHVQD-JQFCIGGWSA-N 2 0 334.464 1.425 20 0 EDADRP COCCN1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657612903 452389694 /nfs/dbraw/zinc/38/96/94/452389694.db2.gz DSZRNZHLHYPXQU-LJQANCHMSA-N 2 0 332.492 1.604 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000659533350 452393449 /nfs/dbraw/zinc/39/34/49/452393449.db2.gz IMXIHWXFHNIUAX-INIZCTEOSA-N 2 0 338.496 1.319 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659536248 452396638 /nfs/dbraw/zinc/39/66/38/452396638.db2.gz HDBFHFOYYZSGOP-HOTGVXAUSA-N 2 0 338.496 1.447 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654351215 452400483 /nfs/dbraw/zinc/40/04/83/452400483.db2.gz CWWFGCOPTWDUQZ-KURKYZTESA-N 2 0 330.476 1.900 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C3([NH3+])CCC3)CC2)c1 ZINC000645447114 452416211 /nfs/dbraw/zinc/41/62/11/452416211.db2.gz PYYMVNFHGIGBFZ-UHFFFAOYSA-N 2 0 330.476 1.505 20 0 EDADRP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000659589445 452446305 /nfs/dbraw/zinc/44/63/05/452446305.db2.gz QNSHQSOOEYUPMJ-PAYONLEZSA-N 2 0 348.466 1.898 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000659589517 452446945 /nfs/dbraw/zinc/44/69/45/452446945.db2.gz RIEAPPDJECGHHJ-WRFANHODSA-N 2 0 334.439 1.663 20 0 EDADRP C[C@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000647710560 452447406 /nfs/dbraw/zinc/44/74/06/452447406.db2.gz FKFJFIPPPWHXPX-VQIMIIECSA-N 2 0 347.503 1.368 20 0 EDADRP C[C@@H]1C[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)C1O ZINC000661628873 452449542 /nfs/dbraw/zinc/44/95/42/452449542.db2.gz VDFONONULZNHAU-BFYDXBDKSA-N 2 0 333.476 1.354 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NCC34CC(C3)C[NH2+]4)C2)CC1 ZINC000659616348 452473950 /nfs/dbraw/zinc/47/39/50/452473950.db2.gz GLZRPTJGOPGOFX-MUYFXNHWSA-N 2 0 334.508 1.892 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000659619974 452477471 /nfs/dbraw/zinc/47/74/71/452477471.db2.gz XBHZXPBOORKUSE-CAOSSQGBSA-N 2 0 326.485 1.288 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654434345 452492881 /nfs/dbraw/zinc/49/28/81/452492881.db2.gz QOCKHCKGCQZPTL-GASCZTMLSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784162 452513368 /nfs/dbraw/zinc/51/33/68/452513368.db2.gz PWTLFXZJCJPTEG-FZKCQIBNSA-N 2 0 340.512 1.059 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345610 452519587 /nfs/dbraw/zinc/51/95/87/452519587.db2.gz GPEYHKUSCAEVLR-RSJGLCBASA-N 2 0 337.508 1.900 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647788482 452522951 /nfs/dbraw/zinc/52/29/51/452522951.db2.gz KDSGOWGICWYCQK-NUEKZKHPSA-N 2 0 337.489 1.415 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000640218719 452527387 /nfs/dbraw/zinc/52/73/87/452527387.db2.gz SZDOHERBJQWTIX-KKXDTOCCSA-N 2 0 342.443 1.597 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2cccs2)C1 ZINC000652361022 452542019 /nfs/dbraw/zinc/54/20/19/452542019.db2.gz WJZCITBJRKHCQY-FVQBIDKESA-N 2 0 337.489 1.725 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655730891 452543001 /nfs/dbraw/zinc/54/30/01/452543001.db2.gz VOMVVWKSRAXIEJ-ZHALLVOQSA-N 2 0 339.524 1.719 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C(=O)NCC2([NH3+])CCCC2)([NH+](C)C)C1 ZINC000659681147 452555277 /nfs/dbraw/zinc/55/52/77/452555277.db2.gz XRGMDXDNGUFGQU-KSSFIOAISA-N 2 0 338.496 1.001 20 0 EDADRP c1cc2n(n1)CCC[C@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000657864058 452576053 /nfs/dbraw/zinc/57/60/53/452576053.db2.gz NQPULYIJZVALPX-GOSISDBHSA-N 2 0 340.475 1.915 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000663849373 452576599 /nfs/dbraw/zinc/57/65/99/452576599.db2.gz LDMFIGPCISJSSS-LPHOPBHVSA-N 2 0 347.503 1.730 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659698756 452583421 /nfs/dbraw/zinc/58/34/21/452583421.db2.gz KZEXAGIELVTXIQ-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP Cc1c(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(=O)n(-c2ccccc2)n1C ZINC000655827664 452599838 /nfs/dbraw/zinc/59/98/38/452599838.db2.gz XDXJAKOMJJVFSE-WOVMCDHWSA-N 2 0 328.460 1.914 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654528594 452608350 /nfs/dbraw/zinc/60/83/50/452608350.db2.gz XOFVLLBVPXBVCY-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](Cn1cncn1)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000657950056 452630420 /nfs/dbraw/zinc/63/04/20/452630420.db2.gz MPSAMARFQXVAAT-CQSZACIVSA-N 2 0 329.452 1.704 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N2CCC(C)(O)CC2)ncn1 ZINC000663904140 452632480 /nfs/dbraw/zinc/63/24/80/452632480.db2.gz BMECEHGUQKCEOD-JKSUJKDBSA-N 2 0 345.491 1.891 20 0 EDADRP COC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC000658070311 452714154 /nfs/dbraw/zinc/71/41/54/452714154.db2.gz NZGPQYVRKVAJIP-IBGZPJMESA-N 2 0 340.508 1.909 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661981311 452733673 /nfs/dbraw/zinc/73/36/73/452733673.db2.gz PBTCTFWKUIQTTB-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[C@H]1C ZINC000661983252 452736846 /nfs/dbraw/zinc/73/68/46/452736846.db2.gz UAYIWFSLPUHNON-VYDXJSESSA-N 2 0 338.496 1.364 20 0 EDADRP Cc1cc(NC(=O)NCCC2(C[NH3+])CC2)n(C2CC[NH+](C)CC2)n1 ZINC000652582376 452755703 /nfs/dbraw/zinc/75/57/03/452755703.db2.gz NRYXZNNDEGHXGI-UHFFFAOYSA-N 2 0 334.468 1.709 20 0 EDADRP COc1ccc(F)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000666312010 452769857 /nfs/dbraw/zinc/76/98/57/452769857.db2.gz MJSQDWPVEPQDFP-UHFFFAOYSA-N 2 0 326.416 1.839 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118584 452835584 /nfs/dbraw/zinc/83/55/84/452835584.db2.gz SPQNOQNVXRPTEL-CABCVRRESA-N 2 0 333.480 1.264 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000652691509 452839105 /nfs/dbraw/zinc/83/91/05/452839105.db2.gz VWQZAMMHFPCCMK-UHFFFAOYSA-N 2 0 346.475 1.013 20 0 EDADRP CC(C)([NH3+])CCC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000648159998 452869932 /nfs/dbraw/zinc/86/99/32/452869932.db2.gz LMYRYMYFXGSRQH-UHFFFAOYSA-N 2 0 325.497 1.855 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000662143396 452878850 /nfs/dbraw/zinc/87/88/50/452878850.db2.gz QOSKLBDWAVYTRX-SQNIBIBYSA-N 2 0 328.460 1.606 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@@H]2C1 ZINC000648175714 452887229 /nfs/dbraw/zinc/88/72/29/452887229.db2.gz OMMHVJGBQIOKES-QZTJIDSGSA-N 2 0 343.471 1.239 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659980127 452888514 /nfs/dbraw/zinc/88/85/14/452888514.db2.gz RFIUDUDFOSWTDT-XWTMOSNGSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000645904319 452888806 /nfs/dbraw/zinc/88/88/06/452888806.db2.gz WWMPBDBEYAELET-RBUKOAKNSA-N 2 0 344.503 1.624 20 0 EDADRP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000664234119 452910061 /nfs/dbraw/zinc/91/00/61/452910061.db2.gz QLTWXDJIEOFQRZ-OZSLIKBDSA-N 2 0 338.496 1.410 20 0 EDADRP C[C@@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000652814180 452976047 /nfs/dbraw/zinc/97/60/47/452976047.db2.gz SYBTZIPPDOMLNT-CGTJXYLNSA-N 2 0 331.460 1.438 20 0 EDADRP Fc1ccc(CN2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662261524 452991904 /nfs/dbraw/zinc/99/19/04/452991904.db2.gz ZLRPCXUAHPBSQC-SFHVURJKSA-N 2 0 333.451 1.854 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002971 452998538 /nfs/dbraw/zinc/99/85/38/452998538.db2.gz LTMAIGYIMHHTMI-FUHWJXTLSA-N 2 0 330.476 1.233 20 0 EDADRP CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000658465581 452999869 /nfs/dbraw/zinc/99/98/69/452999869.db2.gz CJZKXOVOZNLWJL-KRWDZBQOSA-N 2 0 346.475 1.629 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293337 453017347 /nfs/dbraw/zinc/01/73/47/453017347.db2.gz QOIKMDLHLJUTQY-INIZCTEOSA-N 2 0 348.491 1.563 20 0 EDADRP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000662310047 453029132 /nfs/dbraw/zinc/02/91/32/453029132.db2.gz GOTJUILLJMBLNX-WBVHZDCISA-N 2 0 337.489 1.892 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662327114 453044968 /nfs/dbraw/zinc/04/49/68/453044968.db2.gz JPNSZBVBRTZWPD-PKOBYXMFSA-N 2 0 335.492 1.780 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662327112 453045190 /nfs/dbraw/zinc/04/51/90/453045190.db2.gz JPNSZBVBRTZWPD-IEBWSBKVSA-N 2 0 335.492 1.780 20 0 EDADRP CN1CCC[C@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000662328090 453045410 /nfs/dbraw/zinc/04/54/10/453045410.db2.gz YISZHPWJZMUJJI-SFHVURJKSA-N 2 0 345.491 1.677 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000644131479 453069032 /nfs/dbraw/zinc/06/90/32/453069032.db2.gz LHDXYCPLWWJPMO-HOTGVXAUSA-N 2 0 337.414 1.967 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000662374897 453083847 /nfs/dbraw/zinc/08/38/47/453083847.db2.gz LXESJRWBWJIHSG-UHFFFAOYSA-N 2 0 328.420 1.517 20 0 EDADRP CC(C)[NH2+]CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662389119 453098486 /nfs/dbraw/zinc/09/84/86/453098486.db2.gz AGWYNLQIKITOGS-UHFFFAOYSA-N 2 0 346.519 1.699 20 0 EDADRP CCOc1cccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)n1 ZINC000666725056 453099231 /nfs/dbraw/zinc/09/92/31/453099231.db2.gz YSGPLZRWBFVTNS-AWEZNQCLSA-N 2 0 337.468 1.874 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662398476 453108241 /nfs/dbraw/zinc/10/82/41/453108241.db2.gz FPOOORULEZZHHX-CYBMUJFWSA-N 2 0 343.431 1.679 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(C(F)(F)F)nn1 ZINC000666741914 453109113 /nfs/dbraw/zinc/10/91/13/453109113.db2.gz NUWWUIKXBRKMSY-UHFFFAOYSA-N 2 0 348.373 1.500 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+]1CCN(C)CC1 ZINC000662479389 453192867 /nfs/dbraw/zinc/19/28/67/453192867.db2.gz HNPNYAUWABPRQP-MOPGFXCFSA-N 2 0 344.503 1.609 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000662481120 453193845 /nfs/dbraw/zinc/19/38/45/453193845.db2.gz VVVPOKFHITYDDG-SFHVURJKSA-N 2 0 349.475 1.012 20 0 EDADRP C[NH+]1CCN(Cc2cn([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000656456251 453197865 /nfs/dbraw/zinc/19/78/65/453197865.db2.gz VONIFHBWKYOSOY-IBGZPJMESA-N 2 0 340.475 1.473 20 0 EDADRP C[C@@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000646189440 453201866 /nfs/dbraw/zinc/20/18/66/453201866.db2.gz IVKLKIWWTNXHQF-RDTXWAMCSA-N 2 0 330.476 1.984 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000666892327 453219540 /nfs/dbraw/zinc/21/95/40/453219540.db2.gz KUAFSXAXLWUZCH-GVDBMIGSSA-N 2 0 326.444 1.813 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]C[C@H]1CCOc2ccccc21)N1CC[NH2+]CC1 ZINC000666899054 453225255 /nfs/dbraw/zinc/22/52/55/453225255.db2.gz VMGUWNABBGFCEX-CZUORRHYSA-N 2 0 343.393 1.978 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000664648142 453284387 /nfs/dbraw/zinc/28/43/87/453284387.db2.gz POKBQYXDIFPOTJ-HNNXBMFYSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666970239 453286120 /nfs/dbraw/zinc/28/61/20/453286120.db2.gz OMIWPJYWQNLXCC-QGZVFWFLSA-N 2 0 338.496 1.223 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)C1 ZINC000662581654 453308208 /nfs/dbraw/zinc/30/82/08/453308208.db2.gz JARKFQRQJDCUOR-RWQQGDIJSA-N 2 0 343.471 1.966 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653125270 453318966 /nfs/dbraw/zinc/31/89/66/453318966.db2.gz UYYSRMOPXONGOY-RTBURBONSA-N 2 0 344.503 1.481 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653124862 453319014 /nfs/dbraw/zinc/31/90/14/453319014.db2.gz JKHWCDROVNHQCK-SFHVURJKSA-N 2 0 344.503 1.705 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000662604495 453326500 /nfs/dbraw/zinc/32/65/00/453326500.db2.gz FNTZZOBHQILSDX-CQSZACIVSA-N 2 0 328.254 1.819 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000662623004 453340878 /nfs/dbraw/zinc/34/08/78/453340878.db2.gz VXAXHFWGHQZZMN-CYBMUJFWSA-N 2 0 334.468 1.114 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384620 453359029 /nfs/dbraw/zinc/35/90/29/453359029.db2.gz LQJCZSIWFZUJLO-ZNMIVQPWSA-N 2 0 331.464 1.338 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653181924 453372203 /nfs/dbraw/zinc/37/22/03/453372203.db2.gz LJSAABRRNPMGBA-LNLFQRSKSA-N 2 0 345.487 1.807 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1Cl ZINC000662663493 453377286 /nfs/dbraw/zinc/37/72/86/453377286.db2.gz NKFOCPJSOQBCOZ-AWEZNQCLSA-N 2 0 325.840 1.173 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000667067789 453384174 /nfs/dbraw/zinc/38/41/74/453384174.db2.gz PQTIQXUQCZBSAU-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000662669938 453384494 /nfs/dbraw/zinc/38/44/94/453384494.db2.gz HQCFPRLKUXGWMD-RCCFBDPRSA-N 2 0 349.475 1.558 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662670083 453385606 /nfs/dbraw/zinc/38/56/06/453385606.db2.gz DEAPTZKGHTZERJ-OAHLLOKOSA-N 2 0 334.468 1.197 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc2ncccc2c1 ZINC000664787768 453406177 /nfs/dbraw/zinc/40/61/77/453406177.db2.gz SUVUIUABXSPQOU-UHFFFAOYSA-N 2 0 343.475 1.918 20 0 EDADRP Cc1nc2ccccc2n1CCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655296261 453416152 /nfs/dbraw/zinc/41/61/52/453416152.db2.gz XDXKYDLFHYBXCX-LSDHHAIUSA-N 2 0 328.416 1.012 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cc(C2CC2)n(C)n1 ZINC000667118803 453416501 /nfs/dbraw/zinc/41/65/01/453416501.db2.gz ZUFNDGVURJTMIO-ZDUSSCGKSA-N 2 0 336.484 1.691 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662697389 453418448 /nfs/dbraw/zinc/41/84/48/453418448.db2.gz GDULQCITXBLWFA-HNNXBMFYSA-N 2 0 332.448 1.842 20 0 EDADRP COC[C@@]1(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000667148748 453438505 /nfs/dbraw/zinc/43/85/05/453438505.db2.gz UZZBTEWDVIBUMY-INIZCTEOSA-N 2 0 330.392 1.157 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662715746 453440021 /nfs/dbraw/zinc/44/00/21/453440021.db2.gz PSMWNHWEBOXYDC-ZDUSSCGKSA-N 2 0 325.294 1.748 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662718371 453441692 /nfs/dbraw/zinc/44/16/92/453441692.db2.gz NFLYOEDGKUHPRM-CVEARBPZSA-N 2 0 346.479 1.293 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000656790385 453448354 /nfs/dbraw/zinc/44/83/54/453448354.db2.gz ZMWXYQCGZOHDPY-ZTFGCOKTSA-N 2 0 348.466 1.058 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662741706 453466955 /nfs/dbraw/zinc/46/69/55/453466955.db2.gz GKKVGBDTHFSBAJ-HNNXBMFYSA-N 2 0 340.512 1.104 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662762613 453500328 /nfs/dbraw/zinc/50/03/28/453500328.db2.gz XDBKHKQMGAYSGD-CVEARBPZSA-N 2 0 346.479 1.197 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000646604524 453508574 /nfs/dbraw/zinc/50/85/74/453508574.db2.gz OZAZRCRGEGPWMB-IRXDYDNUSA-N 2 0 325.412 1.698 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662789242 453523706 /nfs/dbraw/zinc/52/37/06/453523706.db2.gz VLMDZLCYBJIZNO-INIZCTEOSA-N 2 0 331.460 1.515 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793975 453529485 /nfs/dbraw/zinc/52/94/85/453529485.db2.gz LWSKEARBVVVWDT-HLLBOEOZSA-N 2 0 346.479 1.149 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1ccc2c(c1)nnn2C ZINC000667282270 453532343 /nfs/dbraw/zinc/53/23/43/453532343.db2.gz HPEHUTAQEDOECN-ZDUSSCGKSA-N 2 0 347.467 1.362 20 0 EDADRP O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662832523 453558457 /nfs/dbraw/zinc/55/84/57/453558457.db2.gz ICRUAXZFCPRYEZ-UKRRQHHQSA-N 2 0 349.397 1.242 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NCC1CC[NH+](CC2CC2)CC1 ZINC000667338258 453569015 /nfs/dbraw/zinc/56/90/15/453569015.db2.gz AIQZXQUIZWIJDV-UHFFFAOYSA-N 2 0 331.464 1.337 20 0 EDADRP Cc1cc(CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc(C)n1 ZINC000665164541 453597416 /nfs/dbraw/zinc/59/74/16/453597416.db2.gz ONICUXGBQGIPJT-INIZCTEOSA-N 2 0 335.496 1.770 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660847049 453604246 /nfs/dbraw/zinc/60/42/46/453604246.db2.gz MMGYOFXIPJQSKK-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)cc2)C1 ZINC000665240001 453619975 /nfs/dbraw/zinc/61/99/75/453619975.db2.gz AFAZMCOLJQBYBE-AQNXPRMDSA-N 2 0 345.487 1.110 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000659091055 453625261 /nfs/dbraw/zinc/62/52/61/453625261.db2.gz MLSXQHXKSUUKIY-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCO1 ZINC000662973997 453631829 /nfs/dbraw/zinc/63/18/29/453631829.db2.gz YDVHQZMOBBURGP-HZPDHXFCSA-N 2 0 339.867 1.909 20 0 EDADRP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)n1 ZINC000665291152 453638001 /nfs/dbraw/zinc/63/80/01/453638001.db2.gz VOTGRGHSJWEUBS-UHFFFAOYSA-N 2 0 349.385 1.678 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291655 453638377 /nfs/dbraw/zinc/63/83/77/453638377.db2.gz HGKJMQLJQNBVBW-XJKSGUPXSA-N 2 0 327.432 1.251 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013172 453646819 /nfs/dbraw/zinc/64/68/19/453646819.db2.gz ACAYACYQUDNXPO-KDOFPFPSSA-N 2 0 348.495 1.043 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000661094328 453712083 /nfs/dbraw/zinc/71/20/83/453712083.db2.gz CUUZZHRYVKAPRR-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659354350 453726215 /nfs/dbraw/zinc/72/62/15/453726215.db2.gz JYQLFOJLEPBAQA-OPQOLIRYSA-N 2 0 349.450 1.674 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363825 453780265 /nfs/dbraw/zinc/78/02/65/453780265.db2.gz NCOBTNWPMVFEAQ-WOJBJXKFSA-N 2 0 347.503 1.322 20 0 EDADRP [NH3+][C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)C[C@H]1c1ccccc1F ZINC000663496984 453810333 /nfs/dbraw/zinc/81/03/33/453810333.db2.gz KDSPWZGPPSWESW-GXTWGEPZSA-N 2 0 332.448 1.855 20 0 EDADRP CC(C)(C)[NH2+]CCN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512874 453813631 /nfs/dbraw/zinc/81/36/31/453813631.db2.gz PDLUSEYNJQRHOC-OAHLLOKOSA-N 2 0 334.512 1.387 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000679922808 486671934 /nfs/dbraw/zinc/67/19/34/486671934.db2.gz GLIHWDYFRMDBCO-RBUKOAKNSA-N 2 0 345.487 1.744 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CN(C)CCO1 ZINC000676332060 486737288 /nfs/dbraw/zinc/73/72/88/486737288.db2.gz AZRSBALYRHFBKO-WDSOQIARSA-N 2 0 345.487 1.734 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415635044 486758310 /nfs/dbraw/zinc/75/83/10/486758310.db2.gz AWAZCWDJNJGQJX-CABCVRRESA-N 2 0 332.448 1.381 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@H]3C[NH2+]CCCO3)ccc21 ZINC000667662123 486903447 /nfs/dbraw/zinc/90/34/47/486903447.db2.gz TVPNGZQQICSKJW-NVXWUHKLSA-N 2 0 332.448 1.736 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667764403 486956234 /nfs/dbraw/zinc/95/62/34/486956234.db2.gz YQORMEXIBXMDGY-UXHICEINSA-N 2 0 329.488 1.961 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCCCC1 ZINC000684163732 486963168 /nfs/dbraw/zinc/96/31/68/486963168.db2.gz NNIXKWSVTKKFQJ-QZTJIDSGSA-N 2 0 337.508 1.699 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000667800743 486971228 /nfs/dbraw/zinc/97/12/28/486971228.db2.gz NAXXUYYAPPQSJW-OAHLLOKOSA-N 2 0 343.475 1.923 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000667805111 486973531 /nfs/dbraw/zinc/97/35/31/486973531.db2.gz YMHOMLLGNYATMT-PBHICJAKSA-N 2 0 331.464 1.702 20 0 EDADRP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CC[NH+](C)CC1 ZINC000667808359 486976003 /nfs/dbraw/zinc/97/60/03/486976003.db2.gz MSZJJXVUJDWIGJ-WFASDCNBSA-N 2 0 331.464 1.749 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)nc1 ZINC000667840975 486987970 /nfs/dbraw/zinc/98/79/70/486987970.db2.gz NCZREFYDBJFXBZ-ZWKOTPCHSA-N 2 0 345.491 1.536 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000681250466 486990349 /nfs/dbraw/zinc/99/03/49/486990349.db2.gz GTNBWEVPMUALHH-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCS(N)(=O)=O ZINC000681411645 487036057 /nfs/dbraw/zinc/03/60/57/487036057.db2.gz AIUAFFXGRYKIHU-GOEBONIOSA-N 2 0 325.478 1.165 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc4n3CCC4)CC2)CC1 ZINC000667983460 487046747 /nfs/dbraw/zinc/04/67/47/487046747.db2.gz NVVFFQNHJXKYJV-UHFFFAOYSA-N 2 0 331.508 1.679 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530935 487050838 /nfs/dbraw/zinc/05/08/38/487050838.db2.gz MRDYQFGDZSYSNI-MOPGFXCFSA-N 2 0 345.487 1.472 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673863363 487138460 /nfs/dbraw/zinc/13/84/60/487138460.db2.gz DSUDDWUZBOBNBZ-INIZCTEOSA-N 2 0 344.419 1.500 20 0 EDADRP C[NH+](C)CCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000674390913 487249958 /nfs/dbraw/zinc/24/99/58/487249958.db2.gz DFKXZEYIDLZURA-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685560878 487295755 /nfs/dbraw/zinc/29/57/55/487295755.db2.gz AGZBTKGQHTUPDT-HXUWFJFHSA-N 2 0 331.504 1.958 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000685607126 487302165 /nfs/dbraw/zinc/30/21/65/487302165.db2.gz ICYUIIDPVZZYMN-HOCLYGCPSA-N 2 0 346.475 1.647 20 0 EDADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCN(C)S(C)(=O)=O)CC2)C1 ZINC000675746410 487441226 /nfs/dbraw/zinc/44/12/26/487441226.db2.gz HIAOALRUQZEQNL-NVXWUHKLSA-N 2 0 345.553 1.901 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000675875351 487456231 /nfs/dbraw/zinc/45/62/31/487456231.db2.gz SGMAXPROOAEWMM-QGZVFWFLSA-N 2 0 344.507 1.204 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000676045475 487468163 /nfs/dbraw/zinc/46/81/63/487468163.db2.gz IVFIQZLPLDRNQQ-HYVNUMGLSA-N 2 0 333.480 1.282 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCSC1 ZINC000669514789 485480305 /nfs/dbraw/zinc/48/03/05/485480305.db2.gz ILLPFJDQVKMWTR-KRWDZBQOSA-N 2 0 334.489 1.526 20 0 EDADRP C[NH+](C)C1(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)CC1 ZINC000668949673 485482843 /nfs/dbraw/zinc/48/28/43/485482843.db2.gz DOCQZHYOYFQVHI-UHFFFAOYSA-N 2 0 349.450 1.879 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)NCC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000669554124 485553747 /nfs/dbraw/zinc/55/37/47/485553747.db2.gz GBAQZVRGMWPAGH-ROUUACIJSA-N 2 0 344.459 1.492 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669561206 485568496 /nfs/dbraw/zinc/56/84/96/485568496.db2.gz YXUXEQIPVYTNGK-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000669121648 485702823 /nfs/dbraw/zinc/70/28/23/485702823.db2.gz RQROPPIJKVBBGO-KFWWJZLASA-N 2 0 334.464 1.442 20 0 EDADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCNC1=O ZINC000669621366 485837116 /nfs/dbraw/zinc/83/71/16/485837116.db2.gz IVGARYSWTUPESJ-GOSISDBHSA-N 2 0 331.460 1.872 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000668541061 485868948 /nfs/dbraw/zinc/86/89/48/485868948.db2.gz IOQKLSPXJRBWPN-YOEHRIQHSA-N 2 0 325.416 1.676 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668542963 485872270 /nfs/dbraw/zinc/87/22/70/485872270.db2.gz TUADQAZGDSUOCQ-AEFFLSMTSA-N 2 0 331.460 1.728 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000343714728 485937389 /nfs/dbraw/zinc/93/73/89/485937389.db2.gz BPOCDOKESZKGEL-KSZLIROESA-N 2 0 335.492 1.430 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236807844 485938319 /nfs/dbraw/zinc/93/83/19/485938319.db2.gz RZXGPNQXUWOLPQ-IBGZPJMESA-N 2 0 345.487 1.879 20 0 EDADRP COc1cc(CN2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc(OC)c1 ZINC000237302393 485974621 /nfs/dbraw/zinc/97/46/21/485974621.db2.gz HCBVDGFKTRHHIY-MSOLQXFVSA-N 2 0 347.459 1.475 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000669347618 485995431 /nfs/dbraw/zinc/99/54/31/485995431.db2.gz WJTYJILAHLLAJW-RDJZCZTQSA-N 2 0 333.480 1.012 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000669413814 486122328 /nfs/dbraw/zinc/12/23/28/486122328.db2.gz AWDIZGTYGCBLJZ-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000669418544 486137877 /nfs/dbraw/zinc/13/78/77/486137877.db2.gz YWFMIOXXQAHYSQ-HHXXYDBFSA-N 2 0 342.487 1.827 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCO1 ZINC000669420291 486139655 /nfs/dbraw/zinc/13/96/55/486139655.db2.gz IANVRNRIEUDHBJ-QZTJIDSGSA-N 2 0 346.475 1.186 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420549 486141222 /nfs/dbraw/zinc/14/12/22/486141222.db2.gz PFSUKFUCZAPCLC-QGZVFWFLSA-N 2 0 330.476 1.950 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NCC1CC[NH2+]CC1 ZINC000669459224 486213328 /nfs/dbraw/zinc/21/33/28/486213328.db2.gz UOQDMJNXLLLNRB-LJQANCHMSA-N 2 0 344.503 1.850 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000669474139 486227974 /nfs/dbraw/zinc/22/79/74/486227974.db2.gz FECCWFBGHBNDHT-HLLBOEOZSA-N 2 0 334.464 1.265 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000669477790 486238036 /nfs/dbraw/zinc/23/80/36/486238036.db2.gz VYFWSHGHWLGUER-UHFFFAOYSA-N 2 0 340.537 1.789 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000275816512 486556163 /nfs/dbraw/zinc/55/61/63/486556163.db2.gz VOKFOLQVYCIWHI-OIISXLGYSA-N 2 0 348.466 1.722 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@H](C)O1 ZINC000669007214 491184024 /nfs/dbraw/zinc/18/40/24/491184024.db2.gz IWTWTSZCWMFJLO-JZXOWHBKSA-N 2 0 338.496 1.271 20 0 EDADRP CSC[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000187875338 533795457 /nfs/dbraw/zinc/79/54/57/533795457.db2.gz PSMFWIMPMGPFPD-GOSISDBHSA-N 2 0 337.533 1.460 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187222992 533841394 /nfs/dbraw/zinc/84/13/94/533841394.db2.gz IILSJJHOTSNSEM-HNNXBMFYSA-N 2 0 330.476 1.321 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000189831676 528435062 /nfs/dbraw/zinc/43/50/62/528435062.db2.gz ZSUXVQOXMWTKCN-UHFFFAOYSA-N 2 0 348.491 1.795 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000187085292 528536250 /nfs/dbraw/zinc/53/62/50/528536250.db2.gz FKKRYDRHJDCHRC-INIZCTEOSA-N 2 0 340.443 1.042 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262945496 535051881 /nfs/dbraw/zinc/05/18/81/535051881.db2.gz ARCDRHKOIIYJMU-HFTRVMKXSA-N 2 0 346.475 1.038 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000236794400 535058918 /nfs/dbraw/zinc/05/89/18/535058918.db2.gz CWSJKWPBZXXFQF-SJORKVTESA-N 2 0 346.475 1.775 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H]3CCCC[C@@H]3C2)C1 ZINC000246471848 535116841 /nfs/dbraw/zinc/11/68/41/535116841.db2.gz WUIDNBTZQFHNIN-KZNAEPCWSA-N 2 0 337.508 1.581 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC000333378207 535215716 /nfs/dbraw/zinc/21/57/16/535215716.db2.gz NGCZRNDRCZLSNJ-BBWFWOEESA-N 2 0 338.496 1.148 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000078560404 535323095 /nfs/dbraw/zinc/32/30/95/535323095.db2.gz ALEPCXCUQFTWGK-SJORKVTESA-N 2 0 325.497 1.868 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC1 ZINC000333393105 535330331 /nfs/dbraw/zinc/33/03/31/535330331.db2.gz PBWZCQDDOWHBGS-HZPDHXFCSA-N 2 0 338.496 1.127 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000176272770 535330596 /nfs/dbraw/zinc/33/05/96/535330596.db2.gz OXXYPUFILBDQLK-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262633467 535539577 /nfs/dbraw/zinc/53/95/77/535539577.db2.gz HOEACDKKPCOOFB-CVEARBPZSA-N 2 0 346.475 1.824 20 0 EDADRP CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1)C(=O)OC ZINC000320673740 535657869 /nfs/dbraw/zinc/65/78/69/535657869.db2.gz LSSNQHAFUBXYAL-CZUORRHYSA-N 2 0 327.469 1.012 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000333320326 535752345 /nfs/dbraw/zinc/75/23/45/535752345.db2.gz MWBUVXQVZZSWLJ-QAPCUYQASA-N 2 0 343.475 1.654 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000262550083 535771824 /nfs/dbraw/zinc/77/18/24/535771824.db2.gz SWOBOOOQEJEBFJ-KURKYZTESA-N 2 0 331.460 1.080 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000264207066 535839613 /nfs/dbraw/zinc/83/96/13/535839613.db2.gz REXFSOVQEYXJRW-UHFFFAOYSA-N 2 0 348.491 1.864 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)cc1 ZINC000271906033 535890208 /nfs/dbraw/zinc/89/02/08/535890208.db2.gz WQNHXWGSEROLKU-RCCFBDPRSA-N 2 0 345.487 1.881 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000237194396 535905225 /nfs/dbraw/zinc/90/52/25/535905225.db2.gz LVPUIGLOBUOVHX-LJQANCHMSA-N 2 0 341.455 1.813 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000348022927 536180222 /nfs/dbraw/zinc/18/02/22/536180222.db2.gz XYFGTDRARBHDPA-RCCFBDPRSA-N 2 0 334.508 1.987 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000237069954 536340340 /nfs/dbraw/zinc/34/03/40/536340340.db2.gz DXFMTNPBGSRDIC-MNEFBYGVSA-N 2 0 348.535 1.582 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC2CC[NH+](CC3CC3)CC2)C1 ZINC000245942302 536471122 /nfs/dbraw/zinc/47/11/22/536471122.db2.gz KAEWLVRSPUFJRX-FUHWJXTLSA-N 2 0 334.508 1.987 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262203661 536666238 /nfs/dbraw/zinc/66/62/38/536666238.db2.gz DJPBDBNCKNAJIS-ZIAGYGMSSA-N 2 0 345.365 1.370 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000345573498 536749466 /nfs/dbraw/zinc/74/94/66/536749466.db2.gz OZSCRHPRDUUBTL-HUUCEWRRSA-N 2 0 325.497 1.865 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263213539 536753170 /nfs/dbraw/zinc/75/31/70/536753170.db2.gz KMZNTDPBKIGAIF-YJBOKZPZSA-N 2 0 325.497 1.900 20 0 EDADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262243074 537057050 /nfs/dbraw/zinc/05/70/50/537057050.db2.gz WHLPDZAYHIGNLK-QGZVFWFLSA-N 2 0 331.460 1.524 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC1(Cl)Cl ZINC000741074415 579396212 /nfs/dbraw/zinc/39/62/12/579396212.db2.gz LMAWORMTCDUKGL-NSHDSACASA-N 2 0 325.284 1.315 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000727469644 578529625 /nfs/dbraw/zinc/52/96/25/578529625.db2.gz ZLIWRQHJLBMZAA-JKSUJKDBSA-N 2 0 341.496 1.822 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000734277311 578804476 /nfs/dbraw/zinc/80/44/76/578804476.db2.gz UBVVRKALJBQYLE-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736146587 578957517 /nfs/dbraw/zinc/95/75/17/578957517.db2.gz ILONBSRJRMRPLB-CQSZACIVSA-N 2 0 344.463 1.391 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)C1 ZINC000739037005 579194727 /nfs/dbraw/zinc/19/47/27/579194727.db2.gz YBSLKZYACIANKM-SFHVURJKSA-N 2 0 348.491 1.610 20 0 EDADRP CN(C(=O)CCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746358063 579589361 /nfs/dbraw/zinc/58/93/61/579589361.db2.gz YMWYFJBMNPEHBW-LJQANCHMSA-N 2 0 345.487 1.832 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(C)n1 ZINC000750734720 579779021 /nfs/dbraw/zinc/77/90/21/579779021.db2.gz MIZQAULHARIGIE-INIZCTEOSA-N 2 0 338.521 1.869 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220356 580459003 /nfs/dbraw/zinc/45/90/03/580459003.db2.gz DVHZFYFDMBNBDB-JKSUJKDBSA-N 2 0 340.464 1.655 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000764022991 580111606 /nfs/dbraw/zinc/11/16/06/580111606.db2.gz XZEUPURAWNQZJB-IBGZPJMESA-N 2 0 348.535 1.537 20 0 EDADRP CNC(=O)C1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000771761752 580293110 /nfs/dbraw/zinc/29/31/10/580293110.db2.gz BKZDWZHCGWVRIE-INIZCTEOSA-N 2 0 346.475 1.054 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000772802025 580320976 /nfs/dbraw/zinc/32/09/76/580320976.db2.gz YSCVRQABJOJQIV-HNNXBMFYSA-N 2 0 326.554 1.913 20 0 EDADRP Cn1cncc1[C@@H]1CC(=O)N(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1 ZINC000783995764 580611212 /nfs/dbraw/zinc/61/12/12/580611212.db2.gz WESYFBJXUQNNIO-QGZVFWFLSA-N 2 0 347.507 1.747 20 0 EDADRP C[C@@H]1Cc2cc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)ccc2O1 ZINC000891834612 590644826 /nfs/dbraw/zinc/64/48/26/590644826.db2.gz SRRHUTPHKHBFGP-OAHLLOKOSA-N 2 0 345.487 1.900 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000891855590 590657244 /nfs/dbraw/zinc/65/72/44/590657244.db2.gz KUZCRVQRQKTRHR-KRWDZBQOSA-N 2 0 348.491 1.704 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857235 590657838 /nfs/dbraw/zinc/65/78/38/590657838.db2.gz SPCGRQVSDMTRIM-JSGCOSHPSA-N 2 0 336.402 1.845 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909879 590683801 /nfs/dbraw/zinc/68/38/01/590683801.db2.gz NWPXGSXFCODARQ-JKSUJKDBSA-N 2 0 340.512 1.565 20 0 EDADRP CN1CCN(C(=O)CC2CCN(Cc3nccn3C3CC3)CC2)CC1 ZINC000891948540 590702101 /nfs/dbraw/zinc/70/21/01/590702101.db2.gz CFQXSVRHWNUUPM-UHFFFAOYSA-N 2 0 345.491 1.594 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000891956390 590707091 /nfs/dbraw/zinc/70/70/91/590707091.db2.gz PVGDNZATUPJJHH-ROUUACIJSA-N 2 0 332.492 1.978 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCCC[NH2+]C2CC2)c1 ZINC000891968128 590713966 /nfs/dbraw/zinc/71/39/66/590713966.db2.gz MOXWFMICVRTTMU-KRWDZBQOSA-N 2 0 332.448 1.493 20 0 EDADRP C[C@H](CNc1nc(NC[C@@H](C)[NH+](C)C)nc(NC2CC2)n1)[NH+](C)C ZINC000892029629 590758978 /nfs/dbraw/zinc/75/89/78/590758978.db2.gz XSPFYJMOQRMNFR-VXGBXAGGSA-N 2 0 336.488 1.170 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893328041 590782326 /nfs/dbraw/zinc/78/23/26/590782326.db2.gz RRMOXBCZTMYEJK-HZPDHXFCSA-N 2 0 329.460 1.237 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000892095096 590797472 /nfs/dbraw/zinc/79/74/72/590797472.db2.gz CZGBAJHQCGXELU-UNEWFSDZSA-N 2 0 332.448 1.492 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000890851517 590814219 /nfs/dbraw/zinc/81/42/19/590814219.db2.gz VONSZQPMSLTHTD-UHFFFAOYSA-N 2 0 326.404 1.331 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892155203 590826694 /nfs/dbraw/zinc/82/66/94/590826694.db2.gz CFSDFPKIBVFTDA-QWHCGFSZSA-N 2 0 330.423 1.595 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892226473 590874999 /nfs/dbraw/zinc/87/49/99/590874999.db2.gz HSRXJEKMMVDBKK-KRWDZBQOSA-N 2 0 346.475 1.364 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CC1 ZINC000892246020 590884473 /nfs/dbraw/zinc/88/44/73/590884473.db2.gz GNIHIUUCIAXRCG-UHFFFAOYSA-N 2 0 337.489 1.610 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000892266881 590899879 /nfs/dbraw/zinc/89/98/79/590899879.db2.gz NOHUXLRRLPSAGX-IRXDYDNUSA-N 2 0 344.459 1.493 20 0 EDADRP Cc1cc(N)nc(NCCCC[NH+]2CCN(c3ncccn3)CC2)[nH+]1 ZINC000892331213 590957281 /nfs/dbraw/zinc/95/72/81/590957281.db2.gz COYGTFGTWUNFPI-UHFFFAOYSA-N 2 0 342.451 1.172 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892391453 591007874 /nfs/dbraw/zinc/00/78/74/591007874.db2.gz CLWHXXMMTWTBJV-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)Cc1ccccc1 ZINC000892407661 591014973 /nfs/dbraw/zinc/01/49/73/591014973.db2.gz BVWMQABREAODSA-MSOLQXFVSA-N 2 0 348.491 1.093 20 0 EDADRP [NH3+][C@@H](CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000892410387 591016424 /nfs/dbraw/zinc/01/64/24/591016424.db2.gz APIDYDFDOGKXEF-GJZGRUSLSA-N 2 0 340.418 1.491 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000891363995 591061133 /nfs/dbraw/zinc/06/11/33/591061133.db2.gz OJSSYKBNMDCZBY-DLBZAZTESA-N 2 0 328.460 1.758 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000892530727 591061131 /nfs/dbraw/zinc/06/11/31/591061131.db2.gz WBTUYLCTIIKBTO-TVRKMHQQSA-N 2 0 328.460 1.702 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000892551710 591069027 /nfs/dbraw/zinc/06/90/27/591069027.db2.gz MRSOJXBWOMFTBX-NXHRZFHOSA-N 2 0 330.476 1.887 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)CC2)CC1 ZINC000891459545 591078423 /nfs/dbraw/zinc/07/84/23/591078423.db2.gz AXGWLPXJEAWJEY-MSOLQXFVSA-N 3 0 349.523 1.081 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891460623 591079457 /nfs/dbraw/zinc/07/94/57/591079457.db2.gz HQBNUNXUUQGHSS-KKUMJFAQSA-N 2 0 334.489 1.716 20 0 EDADRP Cc1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cnc1F ZINC000892594645 591085944 /nfs/dbraw/zinc/08/59/44/591085944.db2.gz NQEDFUYLXNYKAG-UHFFFAOYSA-N 2 0 329.423 1.966 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000891509762 591098995 /nfs/dbraw/zinc/09/89/95/591098995.db2.gz VVODLTFJMDFYEL-KRWDZBQOSA-N 2 0 332.492 1.978 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891529564 591109132 /nfs/dbraw/zinc/10/91/32/591109132.db2.gz SFKKPXYPXGSMES-UHFFFAOYSA-N 2 0 338.496 1.541 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891536060 591111401 /nfs/dbraw/zinc/11/14/01/591111401.db2.gz CBOZETMPDVYEGN-ROUUACIJSA-N 2 0 348.491 1.357 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643724 591165015 /nfs/dbraw/zinc/16/50/15/591165015.db2.gz IQQVMWGGDYNUHS-LAVFITLUSA-N 2 0 328.460 1.653 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC000894073274 591185676 /nfs/dbraw/zinc/18/56/76/591185676.db2.gz URIUSUVBLWXOCS-HZSPNIEDSA-N 2 0 334.407 1.473 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000892812909 591190046 /nfs/dbraw/zinc/19/00/46/591190046.db2.gz FPJCBQHDRAJMQG-GOSISDBHSA-N 2 0 342.487 1.971 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892815063 591191153 /nfs/dbraw/zinc/19/11/53/591191153.db2.gz YCUZVZPIQFCHOE-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@@H+]2CCC(C)(C)C2)C[C@@H](C)O1 ZINC000891729304 591201643 /nfs/dbraw/zinc/20/16/43/591201643.db2.gz QUCBWOMUSKRGCD-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000891748673 591209304 /nfs/dbraw/zinc/20/93/04/591209304.db2.gz SBVAUAQSVGLQNU-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@]3(C)Br)C2)CC1 ZINC000892948049 591235396 /nfs/dbraw/zinc/23/53/96/591235396.db2.gz LOJSDMDKENPZRT-IPYPFGDCSA-N 2 0 330.314 1.918 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)c1ccnc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894251091 591247249 /nfs/dbraw/zinc/24/72/49/591247249.db2.gz GSTWHJLOYRIKDU-CVEARBPZSA-N 2 0 332.496 1.537 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@]2(C)C1 ZINC000895901480 591300718 /nfs/dbraw/zinc/30/07/18/591300718.db2.gz WGQQWSUTORYVMZ-MJGOQNOKSA-N 2 0 334.508 1.702 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000894517468 591331166 /nfs/dbraw/zinc/33/11/66/591331166.db2.gz YPWCRHWWFANINV-QYZOEREBSA-N 2 0 342.487 1.854 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCCO1 ZINC000894567630 591347601 /nfs/dbraw/zinc/34/76/01/591347601.db2.gz WWTDWBXDRZDYHY-OAHLLOKOSA-N 2 0 341.496 1.944 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000896211891 591389203 /nfs/dbraw/zinc/38/92/03/591389203.db2.gz WLRDGMXSGNTZHZ-IPMKNSEASA-N 2 0 345.487 1.906 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CC[C@H](C)C3)CC2)c1 ZINC000897433155 591412692 /nfs/dbraw/zinc/41/26/92/591412692.db2.gz QTFFPCXRUBATFI-HNNXBMFYSA-N 2 0 347.463 1.264 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898596306 591429609 /nfs/dbraw/zinc/42/96/09/591429609.db2.gz QUKNEOFYEBAKFN-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000897455832 591461524 /nfs/dbraw/zinc/46/15/24/591461524.db2.gz WEHNQNPRYJRUKZ-OAHLLOKOSA-N 2 0 347.463 1.264 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898685775 591478214 /nfs/dbraw/zinc/47/82/14/591478214.db2.gz HWRYMWWNEUPPJS-DOTOQJQBSA-N 2 0 338.496 1.080 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000897508764 591509712 /nfs/dbraw/zinc/50/97/12/591509712.db2.gz SCPGIYAZJBPVCI-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000897515124 591515357 /nfs/dbraw/zinc/51/53/57/591515357.db2.gz JMRZDVVPBZIEGV-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH+]4CCSC[C@@H]34)C[C@]2(C)C1 ZINC000896610951 591548102 /nfs/dbraw/zinc/54/81/02/591548102.db2.gz ZQHOSTLCGRKFLF-AESZEHBQSA-N 2 0 338.521 1.159 20 0 EDADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909474103 591619394 /nfs/dbraw/zinc/61/93/94/591619394.db2.gz CICFYRUMYHEUBR-SFHVURJKSA-N 2 0 335.448 1.542 20 0 EDADRP O=C1N(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C[C@H]2CCCCN12 ZINC000895345488 591722758 /nfs/dbraw/zinc/72/27/58/591722758.db2.gz OHKSWOBISWXBMP-GOSISDBHSA-N 2 0 343.475 1.930 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000897099840 591739201 /nfs/dbraw/zinc/73/92/01/591739201.db2.gz UGZJEIMZCQVSOO-BZSNNMDCSA-N 2 0 331.460 1.080 20 0 EDADRP C[C@H]1CN(Cc2cn(C[C@@H]3CCCO3)nn2)CCN1c1cc[nH+]cc1 ZINC000895556093 591800454 /nfs/dbraw/zinc/80/04/54/591800454.db2.gz DWVJMAZULMOKES-YJBOKZPZSA-N 2 0 342.447 1.563 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897315277 591835073 /nfs/dbraw/zinc/83/50/73/591835073.db2.gz IHZLKIXHQZRSNQ-QAPCUYQASA-N 2 0 331.460 1.344 20 0 EDADRP COc1ccc([C@H](CNC(=O)Cc2c[nH]cn2)[NH+]2CCCC2)cc1 ZINC000899952828 591839328 /nfs/dbraw/zinc/83/93/28/591839328.db2.gz TYEWOZCPDMKLGZ-KRWDZBQOSA-N 2 0 328.416 1.914 20 0 EDADRP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)c1Cl ZINC000898366987 591892669 /nfs/dbraw/zinc/89/26/69/591892669.db2.gz JOVKPXWWEVZEKZ-AGIUHOORSA-N 2 0 337.855 1.631 20 0 EDADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@H]3CCCC[NH2+]C3)nn2)c1 ZINC000899740549 591928021 /nfs/dbraw/zinc/92/80/21/591928021.db2.gz HNCGIVBTRKGJKY-AWEZNQCLSA-N 2 0 342.447 1.493 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(n2)CCCN3)C[C@H]1C[NH+](C)C ZINC000899756545 591932133 /nfs/dbraw/zinc/93/21/33/591932133.db2.gz OMMYLGAERNUOHM-HUUCEWRRSA-N 2 0 345.491 1.251 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900174085 591938467 /nfs/dbraw/zinc/93/84/67/591938467.db2.gz HDQGNPVTBKSFPJ-GOSISDBHSA-N 2 0 335.448 1.542 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900240381 591951913 /nfs/dbraw/zinc/95/19/13/591951913.db2.gz KGLYPEBISBLSQB-FPQWYMTMSA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)c1 ZINC000900251927 591960701 /nfs/dbraw/zinc/96/07/01/591960701.db2.gz NZEJUHKOBYHYAI-MJGOQNOKSA-N 2 0 333.476 1.600 20 0 EDADRP [NH3+]CCC[C@H]([NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1 ZINC000902498825 592002701 /nfs/dbraw/zinc/00/27/01/592002701.db2.gz GCNLIHWACXYWQO-CVEARBPZSA-N 2 0 327.432 1.831 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCCC[C@H]2C2(C[NH3+])CCC2)[nH+]1 ZINC000900421048 592014227 /nfs/dbraw/zinc/01/42/27/592014227.db2.gz CPSVZIOAIOPUST-ZDUSSCGKSA-N 2 0 327.436 1.732 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cn(C)nn1 ZINC000902795454 592064719 /nfs/dbraw/zinc/06/47/19/592064719.db2.gz GIFMOVUAFGSJCW-KXBFYZLASA-N 2 0 343.475 1.911 20 0 EDADRP CO[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000903107236 592120885 /nfs/dbraw/zinc/12/08/85/592120885.db2.gz OTVXJRCGNWVBPW-JKSUJKDBSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H](c2ccccn2)C2CC2)(N2CCOCC2)CC1 ZINC000903186802 592135493 /nfs/dbraw/zinc/13/54/93/592135493.db2.gz USAPHTCSCJHGOS-IBGZPJMESA-N 2 0 344.503 1.919 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000900858683 592149444 /nfs/dbraw/zinc/14/94/44/592149444.db2.gz UHJVUMDEDJUQRZ-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431674 592168821 /nfs/dbraw/zinc/16/88/21/592168821.db2.gz UXPCICFFZUVMSF-WBVHZDCISA-N 2 0 325.497 1.757 20 0 EDADRP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439582 592169965 /nfs/dbraw/zinc/16/99/65/592169965.db2.gz LFRBINHZKWSITM-MCIONIFRSA-N 2 0 335.414 1.965 20 0 EDADRP FC(F)(F)[C@@H]1CC[C@@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460131 592171753 /nfs/dbraw/zinc/17/17/53/592171753.db2.gz XVZOHTIVNNQBFQ-CRWXNKLISA-N 2 0 334.382 1.797 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccc(Cl)cc1 ZINC000900920764 592172459 /nfs/dbraw/zinc/17/24/59/592172459.db2.gz CHFFAVBKEYXPIV-INMHGKMJSA-N 2 0 339.867 1.514 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903499111 592179635 /nfs/dbraw/zinc/17/96/35/592179635.db2.gz GGZJWNAITHAEMU-UKRRQHHQSA-N 2 0 325.478 1.354 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCc2cccc3cccnc32)C[C@H]1CC[NH3+] ZINC000903500201 592180080 /nfs/dbraw/zinc/18/00/80/592180080.db2.gz VQLHYVSJKRTMRC-CRAIPNDOSA-N 2 0 340.471 1.810 20 0 EDADRP COC(=O)c1coc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903506789 592180646 /nfs/dbraw/zinc/18/06/46/592180646.db2.gz ZMCWEDGNIGAGPZ-AEGPPILISA-N 2 0 348.447 1.423 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900973128 592182143 /nfs/dbraw/zinc/18/21/43/592182143.db2.gz FZYXCWAMSLFUCI-UIXUWTQFSA-N 2 0 345.487 1.611 20 0 EDADRP Cc1cc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000900975518 592183291 /nfs/dbraw/zinc/18/32/91/592183291.db2.gz ODLXBKJOJCMLPR-SFHVURJKSA-N 2 0 349.479 1.244 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc1ccccc1C)C2 ZINC000903492028 592184960 /nfs/dbraw/zinc/18/49/60/592184960.db2.gz IKIHVHJUDSJTHI-ZTENYAIWSA-N 2 0 345.443 1.534 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc3c1OCCO3)C2 ZINC000903492288 592185222 /nfs/dbraw/zinc/18/52/22/592185222.db2.gz AITMARUAKFOTOQ-IYOUNJFTSA-N 2 0 332.400 1.170 20 0 EDADRP COC(=O)[C@H](c1ccccc1C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493863 592186333 /nfs/dbraw/zinc/18/63/33/592186333.db2.gz YCTAZNZWZRDWDF-MVWRLGRASA-N 2 0 346.427 1.421 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000900981497 592188982 /nfs/dbraw/zinc/18/89/82/592188982.db2.gz SQVSBNBDZZEZKI-OAGGEKHMSA-N 2 0 325.497 1.865 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCOc2ccc(F)cc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903522550 592196709 /nfs/dbraw/zinc/19/67/09/592196709.db2.gz RHDANGSNFODVBE-AEFFLSMTSA-N 2 0 335.423 1.441 20 0 EDADRP COC(=O)c1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903525335 592197802 /nfs/dbraw/zinc/19/78/02/592197802.db2.gz FGTBXAWNASCYGV-AEFFLSMTSA-N 2 0 345.443 1.210 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)C1 ZINC000904335410 592233675 /nfs/dbraw/zinc/23/36/75/592233675.db2.gz DDMJCHMCYZKTRR-TXEJJXNPSA-N 2 0 325.815 1.974 20 0 EDADRP CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904339976 592234701 /nfs/dbraw/zinc/23/47/01/592234701.db2.gz BYTWHXMFKLINLV-XBXGTLAGSA-N 2 0 329.366 1.991 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000906651070 592235009 /nfs/dbraw/zinc/23/50/09/592235009.db2.gz OVBMZPMMHFBTLQ-INIZCTEOSA-N 2 0 342.443 1.292 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906650175 592235018 /nfs/dbraw/zinc/23/50/18/592235018.db2.gz JMBPHKFKKXUDIO-INIZCTEOSA-N 2 0 346.475 1.810 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[N@@H+]1C1CC1 ZINC000906656422 592238227 /nfs/dbraw/zinc/23/82/27/592238227.db2.gz GVXGRDLFSZIYQW-IUODEOHRSA-N 2 0 344.459 1.560 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H]1C[C@@H]([NH3+])C1 ZINC000904367745 592239183 /nfs/dbraw/zinc/23/91/83/592239183.db2.gz HKOLLOUDOZLKLJ-AKAXFMLLSA-N 2 0 325.478 1.341 20 0 EDADRP COc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc2c1OCO2 ZINC000904389060 592242396 /nfs/dbraw/zinc/24/23/96/592242396.db2.gz GLJQZCNHIPRMJE-AWEZNQCLSA-N 2 0 334.416 1.754 20 0 EDADRP COC(=O)COc1ccc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1 ZINC000904391764 592243368 /nfs/dbraw/zinc/24/33/68/592243368.db2.gz JLUXMLXAJVCWAE-QGZVFWFLSA-N 2 0 348.443 1.568 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000904380720 592246658 /nfs/dbraw/zinc/24/66/58/592246658.db2.gz OONFWYBZBZSSMN-UHFFFAOYSA-N 2 0 344.459 1.154 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)C1 ZINC000904381457 592247632 /nfs/dbraw/zinc/24/76/32/592247632.db2.gz PPMKWAVEACMYJD-VPCRRHSYSA-N 2 0 331.382 1.455 20 0 EDADRP Cc1cccc2ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n21 ZINC000906669560 592250482 /nfs/dbraw/zinc/25/04/82/592250482.db2.gz FKGHKHLZWAELFE-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]CC3(C)C)c2)CC1 ZINC000904421661 592258727 /nfs/dbraw/zinc/25/87/27/592258727.db2.gz NBOXNUYWJHIKHN-KRWDZBQOSA-N 2 0 345.491 1.948 20 0 EDADRP CCCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903719061 592281583 /nfs/dbraw/zinc/28/15/83/592281583.db2.gz USKFNVDSKOCXDE-HRCADAONSA-N 2 0 330.494 1.044 20 0 EDADRP CCCCCC(=O)NC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727619 592285795 /nfs/dbraw/zinc/28/57/95/592285795.db2.gz WBFDGEOSIFGBES-HKUYNNGSSA-N 2 0 337.508 1.916 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903713521 592291736 /nfs/dbraw/zinc/29/17/36/592291736.db2.gz ULTPLJBIGOLKIM-AGIUHOORSA-N 2 0 337.386 1.273 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2CO[C@@H](C[NH3+])C2)n1 ZINC000904603595 592293291 /nfs/dbraw/zinc/29/32/91/592293291.db2.gz JEDZZOADTNAIQN-CHWSQXEVSA-N 2 0 332.404 1.508 20 0 EDADRP c1ccc(CN2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903733551 592296647 /nfs/dbraw/zinc/29/66/47/592296647.db2.gz NQPGZZXONHUQIM-LJQANCHMSA-N 2 0 329.488 1.963 20 0 EDADRP COc1cccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903734227 592298064 /nfs/dbraw/zinc/29/80/64/592298064.db2.gz WEZIJIXBCARKAJ-MOPGFXCFSA-N 2 0 331.460 1.586 20 0 EDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCCN(c2cccnn2)C1 ZINC000903738981 592300117 /nfs/dbraw/zinc/30/01/17/592300117.db2.gz AJESJVRYDIMHGL-SOLBZPMBSA-N 2 0 331.464 1.146 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903740253 592301212 /nfs/dbraw/zinc/30/12/12/592301212.db2.gz FGNJBKLRKXOZFO-SQNIBIBYSA-N 3 0 325.497 1.188 20 0 EDADRP Cn1ccnc1[C@@H]1CN(C(=O)Nc2ccccc2C[NH3+])CCN1C ZINC000904639639 592301497 /nfs/dbraw/zinc/30/14/97/592301497.db2.gz KHOPJVUKXKDDSR-HNNXBMFYSA-N 2 0 328.420 1.399 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc([C@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000904691207 592306376 /nfs/dbraw/zinc/30/63/76/592306376.db2.gz DGAFIJURDYHVAK-ZFWWWQNUSA-N 2 0 349.479 1.397 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000901272563 592308555 /nfs/dbraw/zinc/30/85/55/592308555.db2.gz MIUMNSLLAOMKKC-YRXWBPOGSA-N 2 0 348.535 1.488 20 0 EDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000903790487 592315929 /nfs/dbraw/zinc/31/59/29/592315929.db2.gz KSOCEXYFHGTGRE-CQSZACIVSA-N 2 0 331.526 1.355 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000903793412 592316139 /nfs/dbraw/zinc/31/61/39/592316139.db2.gz SFEUAJZDVRUVBP-SFHVURJKSA-N 2 0 348.487 1.535 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903818898 592332598 /nfs/dbraw/zinc/33/25/98/592332598.db2.gz XRQIXYFXRGSPNC-KRWDZBQOSA-N 2 0 333.476 1.582 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccccc1CN1CCN(C(C)=O)CC1 ZINC000904932736 592350184 /nfs/dbraw/zinc/35/01/84/592350184.db2.gz XOVWATAOVQKVPK-IBGZPJMESA-N 2 0 346.475 1.807 20 0 EDADRP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CCN1C[C@H](C)O ZINC000906827066 592355018 /nfs/dbraw/zinc/35/50/18/592355018.db2.gz QDKDNMXRLJSCFM-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)CCOc2ccc(F)cc2)cnn1C ZINC000903875771 592356390 /nfs/dbraw/zinc/35/63/90/592356390.db2.gz BHHBUOQQOZLYGM-HNNXBMFYSA-N 2 0 334.439 1.996 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[NH+](C3CCCCC3)CC2)cnn1C ZINC000903879197 592359835 /nfs/dbraw/zinc/35/98/35/592359835.db2.gz VHENOGCTPBQFKM-QGZVFWFLSA-N 2 0 333.524 1.796 20 0 EDADRP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903892313 592361490 /nfs/dbraw/zinc/36/14/90/592361490.db2.gz HIZWVFLZLDLBFB-WMZOPIPTSA-N 2 0 344.507 1.942 20 0 EDADRP COCCCOC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894796 592366133 /nfs/dbraw/zinc/36/61/33/592366133.db2.gz DXULLYIBVXOZFN-INIZCTEOSA-N 2 0 338.496 1.363 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cnn1C ZINC000903897878 592368738 /nfs/dbraw/zinc/36/87/38/592368738.db2.gz KAWOHCBCUBXOHR-WMLDXEAASA-N 2 0 330.480 1.589 20 0 EDADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903918700 592375995 /nfs/dbraw/zinc/37/59/95/592375995.db2.gz FUBNCVRHSLIBQW-FUHWJXTLSA-N 3 0 328.464 1.772 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC000905048088 592378330 /nfs/dbraw/zinc/37/83/30/592378330.db2.gz WYQJNCDYUIIGLK-BRWVUGGUSA-N 2 0 328.497 1.237 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903931431 592383943 /nfs/dbraw/zinc/38/39/43/592383943.db2.gz DORGOZUPPSKYIO-YJBOKZPZSA-N 2 0 326.448 1.261 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000903917755 592390049 /nfs/dbraw/zinc/39/00/49/592390049.db2.gz NBONSBTVOIRXKQ-IXDOHACOSA-N 3 0 332.496 1.414 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cnn1C ZINC000903984382 592404938 /nfs/dbraw/zinc/40/49/38/592404938.db2.gz VFGVENNSRFXRBE-XBFCOCLRSA-N 2 0 333.402 1.057 20 0 EDADRP CC[C@@](O)(C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C(F)(F)F ZINC000905109546 592410237 /nfs/dbraw/zinc/41/02/37/592410237.db2.gz HOXLSRJEOLVGCU-ZIAGYGMSSA-N 2 0 325.419 1.551 20 0 EDADRP CC(C)(C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000907017806 592481000 /nfs/dbraw/zinc/48/10/00/592481000.db2.gz OCCBQJKDEZRQQX-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP Cc1ccccc1CN1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000905270027 592488173 /nfs/dbraw/zinc/48/81/73/592488173.db2.gz VVBCLMLQORRLTC-UHFFFAOYSA-N 2 0 344.503 1.133 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308376 592500052 /nfs/dbraw/zinc/50/00/52/592500052.db2.gz IQXDYJKTOHWDGZ-AWEZNQCLSA-N 2 0 330.436 1.708 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000905342084 592511974 /nfs/dbraw/zinc/51/19/74/592511974.db2.gz FEPFCCWIWBGJRN-RDJZCZTQSA-N 2 0 341.521 1.265 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000905342082 592512005 /nfs/dbraw/zinc/51/20/05/592512005.db2.gz FEPFCCWIWBGJRN-DOTOQJQBSA-N 2 0 341.521 1.265 20 0 EDADRP C[NH+]1CCC2(CCC(NC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000908489566 592516462 /nfs/dbraw/zinc/51/64/62/592516462.db2.gz GFSOEVSEPFXSRD-IRXDYDNUSA-N 2 0 335.492 1.620 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000905398679 592520468 /nfs/dbraw/zinc/52/04/68/592520468.db2.gz YFERVLNHRRMRCX-IRXDYDNUSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500981 592545610 /nfs/dbraw/zinc/54/56/10/592545610.db2.gz DGHQDFOQXYKBOM-ZAWLATJESA-N 2 0 346.475 1.480 20 0 EDADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000907286457 592584640 /nfs/dbraw/zinc/58/46/40/592584640.db2.gz QLRQTWBYZRFIGU-CVEARBPZSA-N 2 0 336.524 1.249 20 0 EDADRP O[C@@]1(CNCc2ccc3nonc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000905667872 592602122 /nfs/dbraw/zinc/60/21/22/592602122.db2.gz FJGBYGZHCYZBRR-LJQANCHMSA-N 2 0 338.411 1.949 20 0 EDADRP O[C@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C1(O)CCCC1 ZINC000905877187 592677231 /nfs/dbraw/zinc/67/72/31/592677231.db2.gz NWZHYRBUSKSTRZ-LJQANCHMSA-N 2 0 347.503 1.060 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000905915692 592680810 /nfs/dbraw/zinc/68/08/10/592680810.db2.gz VFGHGNVQCGXZRR-QGZVFWFLSA-N 2 0 346.475 1.656 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000909879548 592705009 /nfs/dbraw/zinc/70/50/09/592705009.db2.gz VHSSABLAEXRGFJ-UHFFFAOYSA-N 2 0 329.448 1.367 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862343 592819540 /nfs/dbraw/zinc/81/95/40/592819540.db2.gz RAMRLMVDZQWPEL-UYAOXDASSA-N 2 0 345.487 1.472 20 0 EDADRP Cc1cc(C)c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c(C)n1 ZINC000906504516 592843131 /nfs/dbraw/zinc/84/31/31/592843131.db2.gz IMUQJLDYRDWCKX-INIZCTEOSA-N 2 0 346.475 1.679 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000906579744 592857492 /nfs/dbraw/zinc/85/74/92/592857492.db2.gz KRRAZIVXPUIZTF-INIZCTEOSA-N 2 0 346.475 1.861 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC000910785679 592891878 /nfs/dbraw/zinc/89/18/78/592891878.db2.gz GISLKVFKBUMJCS-QGZVFWFLSA-N 2 0 329.444 1.194 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000911054942 592911404 /nfs/dbraw/zinc/91/14/04/592911404.db2.gz LMALPYPFXSWZTD-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CCCCC1 ZINC000911267502 592980327 /nfs/dbraw/zinc/98/03/27/592980327.db2.gz KIZKFFHMKSBZDI-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP CN1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)[C@@H](C[NH3+])C1 ZINC000911877696 593029387 /nfs/dbraw/zinc/02/93/87/593029387.db2.gz CDWMSHBPEKUMMW-WFASDCNBSA-N 2 0 337.370 1.197 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912462831 593096703 /nfs/dbraw/zinc/09/67/03/593096703.db2.gz BMVCJKHEQKLISZ-GOSISDBHSA-N 2 0 327.472 1.858 20 0 EDADRP C[C@H]1CN(C(=S)NCC[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000840811074 593155739 /nfs/dbraw/zinc/15/57/39/593155739.db2.gz YNKQHVJVMIWCLM-MRXNPFEDSA-N 2 0 334.533 1.876 20 0 EDADRP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000838853109 593225492 /nfs/dbraw/zinc/22/54/92/593225492.db2.gz IVLBDEUHCUAWMO-IAGOWNOFSA-N 2 0 339.524 1.924 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ncc(C3OCCO3)s2)CC1 ZINC000809634260 593350910 /nfs/dbraw/zinc/35/09/10/593350910.db2.gz VQSUEWSZZGZHHI-UHFFFAOYSA-N 2 0 340.493 1.304 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810671803 593421422 /nfs/dbraw/zinc/42/14/22/593421422.db2.gz ZMGKAFOPECAQTI-YOEHRIQHSA-N 2 0 330.444 1.851 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810671800 593421735 /nfs/dbraw/zinc/42/17/35/593421735.db2.gz ZMGKAFOPECAQTI-RHSMWYFYSA-N 2 0 330.444 1.851 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000811953351 593487314 /nfs/dbraw/zinc/48/73/14/593487314.db2.gz ABSRFHKVFUCPQP-WBVHZDCISA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)OC(C)(C)C)CC2)CC1 ZINC000817389618 593600765 /nfs/dbraw/zinc/60/07/65/593600765.db2.gz WLZOUCUJUJBJJH-UHFFFAOYSA-N 2 0 339.480 1.347 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817897820 593646980 /nfs/dbraw/zinc/64/69/80/593646980.db2.gz BOEVPGWXHZQDSY-JQWIXIFHSA-N 2 0 343.415 1.278 20 0 EDADRP [NH3+]C1(CNC(=O)c2cnsn2)CC[NH+](Cc2ccccc2)CC1 ZINC000818014042 593657388 /nfs/dbraw/zinc/65/73/88/593657388.db2.gz MVXPYEVDWFDRFG-UHFFFAOYSA-N 2 0 331.445 1.261 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000818540857 593704090 /nfs/dbraw/zinc/70/40/90/593704090.db2.gz HSVGHKUTSGKJTB-OAHLLOKOSA-N 2 0 331.416 1.532 20 0 EDADRP COCCOC[C@@H](O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000818983017 593732211 /nfs/dbraw/zinc/73/22/11/593732211.db2.gz AQVDBCKAPCNAFG-SFHVURJKSA-N 2 0 328.497 1.645 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000819054255 593736095 /nfs/dbraw/zinc/73/60/95/593736095.db2.gz PJRHZFJHEKXURP-CXAGYDPISA-N 2 0 339.430 1.756 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000819058803 593736481 /nfs/dbraw/zinc/73/64/81/593736481.db2.gz QGERXILYESWFJL-PBHICJAKSA-N 2 0 325.884 1.847 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819062570 593736756 /nfs/dbraw/zinc/73/67/56/593736756.db2.gz RNHHEEWDAGJHDT-MRXNPFEDSA-N 2 0 327.419 1.614 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819175137 593742882 /nfs/dbraw/zinc/74/28/82/593742882.db2.gz VABJNFSGAIXLKM-KZNAEPCWSA-N 2 0 340.414 1.966 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccccc2F)ccn1 ZINC000819195357 593743754 /nfs/dbraw/zinc/74/37/54/593743754.db2.gz AZIXWKMIYUFZQI-KRWDZBQOSA-N 2 0 333.407 1.984 20 0 EDADRP CN(C[C@H](O)C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)OC(C)(C)C)C1CC1 ZINC000819325411 593750883 /nfs/dbraw/zinc/75/08/83/593750883.db2.gz CBQQJBPMCRBYGQ-AEGPPILISA-N 2 0 345.459 1.379 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821583488 593869249 /nfs/dbraw/zinc/86/92/49/593869249.db2.gz XLJSCJLMTOPHCD-UHFFFAOYSA-N 2 0 335.481 1.044 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)N1CC[NH+](C)CC1 ZINC000824568847 594039906 /nfs/dbraw/zinc/03/99/06/594039906.db2.gz DPYOPSIUVGASRZ-STQMWFEESA-N 2 0 347.442 1.292 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(=O)[nH]c2c1CCCC2 ZINC000824820148 594079942 /nfs/dbraw/zinc/07/99/42/594079942.db2.gz UVHVWYUXKPFSGP-AWEZNQCLSA-N 2 0 348.491 1.668 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000822980945 594131411 /nfs/dbraw/zinc/13/14/11/594131411.db2.gz RMYWVLKQLWYFOT-LSDHHAIUSA-N 2 0 342.447 1.739 20 0 EDADRP Cc1cc(C2(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)on1 ZINC000825146213 594136306 /nfs/dbraw/zinc/13/63/06/594136306.db2.gz BTMRBEBMRPMLQA-HUUCEWRRSA-N 2 0 334.464 1.212 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CC[C@H](C3CC3)O2)C[C@H]1C[NH+](C)C ZINC000827892818 594299177 /nfs/dbraw/zinc/29/91/77/594299177.db2.gz USJYPGURYRCCGA-BRSBDYLESA-N 2 0 337.508 1.532 20 0 EDADRP C[NH+]1CCC(C)(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000826023233 594308610 /nfs/dbraw/zinc/30/86/10/594308610.db2.gz ZIPXOIXXMQMQFR-UHFFFAOYSA-N 2 0 340.435 1.336 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1-c1nn[nH]n1 ZINC000826194830 594372279 /nfs/dbraw/zinc/37/22/79/594372279.db2.gz XOYZJDDAYSUIKP-HOCLYGCPSA-N 2 0 342.447 1.791 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@]3(F)CC[NH2+]C3)CCCC2)CC1 ZINC000828956716 594537280 /nfs/dbraw/zinc/53/72/80/594537280.db2.gz ROEXZFLPGXTKSC-KRWDZBQOSA-N 2 0 327.444 1.228 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C[C@@H]1C ZINC000826629513 594543161 /nfs/dbraw/zinc/54/31/61/594543161.db2.gz UZBXQOCUCZKKSU-YVSFHVDLSA-N 2 0 340.512 1.610 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@@]3(F)CC[NH2+]C3)CCCCC2)CCO1 ZINC000829017256 594549667 /nfs/dbraw/zinc/54/96/67/594549667.db2.gz WKRSSAISGJWKSI-GOSISDBHSA-N 2 0 341.471 1.618 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCCCCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000831099480 594556476 /nfs/dbraw/zinc/55/64/76/594556476.db2.gz IVHVGBILFJTYPO-MRXNPFEDSA-N 2 0 327.517 1.077 20 0 EDADRP [NH3+]CCCCCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000831146036 594568725 /nfs/dbraw/zinc/56/87/25/594568725.db2.gz BKQTVTNCNHBARE-GOSISDBHSA-N 2 0 348.491 1.572 20 0 EDADRP [NH3+][C@@H](CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000829302938 594594838 /nfs/dbraw/zinc/59/48/38/594594838.db2.gz OCAVZTJMOFHOFL-SFHVURJKSA-N 2 0 331.460 1.905 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(OCCO)CCOC2)CN(Cc2ccccc2)C1 ZINC000826943243 594606884 /nfs/dbraw/zinc/60/68/84/594606884.db2.gz WGWZJPJHPNRJSZ-MISYRCLQSA-N 2 0 348.487 1.655 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000829584249 594645086 /nfs/dbraw/zinc/64/50/86/594645086.db2.gz XGCPJUVORRDYOW-SFHVURJKSA-N 2 0 336.524 1.203 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000841018649 594840269 /nfs/dbraw/zinc/84/02/69/594840269.db2.gz ZLKQXQQJGBUOGH-HNNXBMFYSA-N 2 0 331.464 1.784 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574382 594877517 /nfs/dbraw/zinc/87/75/17/594877517.db2.gz CUCDQMKLQPNXAZ-RHSMWYFYSA-N 2 0 329.460 1.162 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000836283819 594947121 /nfs/dbraw/zinc/94/71/21/594947121.db2.gz OJIVTPYOHIPPQD-DLBZAZTESA-N 2 0 338.496 1.415 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790497 594953454 /nfs/dbraw/zinc/95/34/54/594953454.db2.gz YIPDEHFSPLHLME-HZPDHXFCSA-N 2 0 336.480 1.025 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000841847775 594964617 /nfs/dbraw/zinc/96/46/17/594964617.db2.gz UWVWUWNVYDVEIZ-QGZVFWFLSA-N 2 0 327.432 1.239 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847526 594964796 /nfs/dbraw/zinc/96/47/96/594964796.db2.gz PWRKBJSOYDBFMJ-LBPRGKRZSA-N 2 0 331.416 1.674 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCCO1 ZINC000841854678 594966020 /nfs/dbraw/zinc/96/60/20/594966020.db2.gz FFLYTSGVJXABFG-JCYILVPMSA-N 2 0 338.496 1.543 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(CC[NH3+])cc2)CC[N@@H+]1CC(C)(C)O ZINC000841927313 594983193 /nfs/dbraw/zinc/98/31/93/594983193.db2.gz IUHZZJABIZTTKK-OAHLLOKOSA-N 2 0 348.491 1.174 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(CC4CC[NH2+]CC4)n3)c2)CC1 ZINC000843206176 595034821 /nfs/dbraw/zinc/03/48/21/595034821.db2.gz BTQGTVXYZQHZQU-UHFFFAOYSA-N 2 0 342.447 1.426 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)C(C)C ZINC000842202847 595036967 /nfs/dbraw/zinc/03/69/67/595036967.db2.gz YKZINKCYKVVBSA-UHFFFAOYSA-N 2 0 340.512 1.340 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330147 595076570 /nfs/dbraw/zinc/07/65/70/595076570.db2.gz RGKTVINWRYHEDR-CYBMUJFWSA-N 2 0 341.358 1.516 20 0 EDADRP Cc1ccc(N2CC[C@@H]([NH+]3CCC(OCCC[NH3+])CC3)C2=O)cc1 ZINC000843354490 595084280 /nfs/dbraw/zinc/08/42/80/595084280.db2.gz JNSCEXDQSKXYCQ-GOSISDBHSA-N 2 0 331.460 1.930 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](CCCCCC[NH3+])CC2)c1 ZINC000846218731 595176832 /nfs/dbraw/zinc/17/68/32/595176832.db2.gz SIAVMLLIVIDSKP-UHFFFAOYSA-N 2 0 333.476 1.901 20 0 EDADRP OCCCN1CCC[C@@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843085995 595283537 /nfs/dbraw/zinc/28/35/37/595283537.db2.gz FFWLECNYIZXXAS-CJNGLKHVSA-N 2 0 330.831 1.949 20 0 EDADRP CC[NH2+]CC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000844190140 595297949 /nfs/dbraw/zinc/29/79/49/595297949.db2.gz BJBDNKYXSBSFMZ-CQSZACIVSA-N 2 0 336.455 1.754 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000105459354 595303590 /nfs/dbraw/zinc/30/35/90/595303590.db2.gz CBRMMLPQFGZTOO-UHFFFAOYSA-N 2 0 349.475 1.642 20 0 EDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808615 595319655 /nfs/dbraw/zinc/31/96/55/595319655.db2.gz ZGTGZGYMRFPVOT-YJBOKZPZSA-N 2 0 341.496 1.632 20 0 EDADRP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808613 595319873 /nfs/dbraw/zinc/31/98/73/595319873.db2.gz ZGTGZGYMRFPVOT-QAPCUYQASA-N 2 0 341.496 1.632 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@@H](C)C1 ZINC000844316702 595322772 /nfs/dbraw/zinc/32/27/72/595322772.db2.gz HICIDIJNCDPWOZ-UAGQMJEPSA-N 2 0 339.480 1.696 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000848577081 595407361 /nfs/dbraw/zinc/40/73/61/595407361.db2.gz IBLMVCQTMFZHEP-MRXNPFEDSA-N 2 0 327.388 1.649 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)cc1 ZINC000848579157 595407972 /nfs/dbraw/zinc/40/79/72/595407972.db2.gz WVRIZSIRXIJDKN-QGZVFWFLSA-N 2 0 333.432 1.700 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000847451259 595422303 /nfs/dbraw/zinc/42/23/03/595422303.db2.gz CKQSULWRXHXIDG-SFHVURJKSA-N 2 0 333.476 1.631 20 0 EDADRP COc1ccccc1CNC(=[NH2+])NCCCC[NH+]1CCN(C)CC1 ZINC000849060487 595476512 /nfs/dbraw/zinc/47/65/12/595476512.db2.gz AXZGVZCVEADUDY-UHFFFAOYSA-N 2 0 333.480 1.337 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000849074152 595478271 /nfs/dbraw/zinc/47/82/71/595478271.db2.gz BBFPPWMGCKKFEJ-MRXNPFEDSA-N 2 0 331.464 1.405 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849276336 595499813 /nfs/dbraw/zinc/49/98/13/595499813.db2.gz HNTFFSREJPSNPU-HOTGVXAUSA-N 2 0 343.585 1.207 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849486332 595547494 /nfs/dbraw/zinc/54/74/94/595547494.db2.gz GMVNWYXRAILDIK-MSOLQXFVSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849572002 595575023 /nfs/dbraw/zinc/57/50/23/595575023.db2.gz MQLDIJRPHXWPGY-MUIFIZLQSA-N 2 0 333.480 1.006 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574111 595576724 /nfs/dbraw/zinc/57/67/24/595576724.db2.gz WHJJZTFTBFBNDC-CVEARBPZSA-N 2 0 333.480 1.008 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852858213 595580129 /nfs/dbraw/zinc/58/01/29/595580129.db2.gz UQVUQLKPWUSJRS-MRXNPFEDSA-N 2 0 330.432 1.133 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000852867995 595587957 /nfs/dbraw/zinc/58/79/57/595587957.db2.gz KCVRJFUTVOGNOG-HOCLYGCPSA-N 2 0 344.459 1.870 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C=C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852873353 595592248 /nfs/dbraw/zinc/59/22/48/595592248.db2.gz SYJNDHPRMTUJCP-LJQANCHMSA-N 2 0 342.487 1.401 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614560 595597401 /nfs/dbraw/zinc/59/74/01/595597401.db2.gz ZSUQGMHMLPAWDE-DJIMGWMZSA-N 2 0 333.480 1.056 20 0 EDADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918720 595614716 /nfs/dbraw/zinc/61/47/16/595614716.db2.gz FWNMWBUDOHSOTJ-LJQANCHMSA-N 2 0 342.487 1.229 20 0 EDADRP CC[NH+](CC)CC(=O)N1CC[C@@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856633501 596040264 /nfs/dbraw/zinc/04/02/64/596040264.db2.gz XYQFYDJXEWVTDN-GOSISDBHSA-N 2 0 348.491 1.855 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C=O)ccc1F ZINC000859352829 596060286 /nfs/dbraw/zinc/06/02/86/596060286.db2.gz ZBQUBOZDLQNSRF-UHFFFAOYSA-N 2 0 337.439 1.984 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852514827 596186676 /nfs/dbraw/zinc/18/66/76/596186676.db2.gz LAOOXNLRILYWGW-UXHICEINSA-N 2 0 331.504 1.692 20 0 EDADRP CN1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)Cc2cccnc21 ZINC000868763058 596298566 /nfs/dbraw/zinc/29/85/66/596298566.db2.gz BSGYNLYPUTYLJU-HNNXBMFYSA-N 2 0 331.464 1.916 20 0 EDADRP Cc1nc(C(C)C)ccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711380 596305074 /nfs/dbraw/zinc/30/50/74/596305074.db2.gz JMGNJJRPXRFSTF-NXHRZFHOSA-N 2 0 344.459 1.880 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC[NH2+]CC2CC2)c2ccccc2)CC1 ZINC000870880957 596388325 /nfs/dbraw/zinc/38/83/25/596388325.db2.gz VWKNURCWTHALLT-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870881707 596388423 /nfs/dbraw/zinc/38/84/23/596388423.db2.gz HJFMWJVXVKUDJC-UHFFFAOYSA-N 2 0 345.487 1.818 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC000121708081 596449860 /nfs/dbraw/zinc/44/98/60/596449860.db2.gz RFYBXNAEWUDOGX-YESZJQIVSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867794375 596553545 /nfs/dbraw/zinc/55/35/45/596553545.db2.gz PJTNEWKKHVTUIS-INIZCTEOSA-N 2 0 331.526 1.655 20 0 EDADRP COCC[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456666 596580858 /nfs/dbraw/zinc/58/08/58/596580858.db2.gz PKEDVESJYNYXGX-LSDHHAIUSA-N 2 0 329.485 1.848 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(NC=O)cc2)C[C@H]1C[NH+](C)C ZINC000870020989 596712120 /nfs/dbraw/zinc/71/21/20/596712120.db2.gz KGAGFEPXIWVCRX-HZPDHXFCSA-N 2 0 332.448 1.066 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870022049 596712466 /nfs/dbraw/zinc/71/24/66/596712466.db2.gz NXFQBYDXZCVQLS-RTBURBONSA-N 3 0 346.519 1.560 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cc3ccccc3n2)C[C@H]1C[NH+](C)C ZINC000870022589 596712609 /nfs/dbraw/zinc/71/26/09/596712609.db2.gz WOWBTSOEWLAUOC-IAGOWNOFSA-N 2 0 343.475 1.234 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000870022275 596712723 /nfs/dbraw/zinc/71/27/23/596712723.db2.gz QJJMBIFTTGNFMW-BRWVUGGUSA-N 2 0 325.497 1.534 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3c2)C[C@H]1C[NH+](C)C ZINC000870023762 596713750 /nfs/dbraw/zinc/71/37/50/596713750.db2.gz LRKRIDYEQMQZHO-IAGOWNOFSA-N 2 0 328.460 1.979 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)ccc2F)C[C@H]1C[NH+](C)C ZINC000870024216 596714115 /nfs/dbraw/zinc/71/41/15/596714115.db2.gz LGFWAVOEWYOMFX-CHWSQXEVSA-N 2 0 325.403 1.776 20 0 EDADRP CC(=O)Nc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870025232 596714677 /nfs/dbraw/zinc/71/46/77/596714677.db2.gz NPDBERQIMOVUTC-IAGOWNOFSA-N 2 0 346.475 1.456 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[N@H+](C)C1CC1 ZINC000868228569 596736133 /nfs/dbraw/zinc/73/61/33/596736133.db2.gz GDAOJQORWYTQOA-XFBWCDHKSA-N 2 0 330.432 1.039 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868234103 596739442 /nfs/dbraw/zinc/73/94/42/596739442.db2.gz XOLKISUFKVIAOG-DLBZAZTESA-N 2 0 344.459 1.429 20 0 EDADRP Cn1ncc(I)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000864050637 596744156 /nfs/dbraw/zinc/74/41/56/596744156.db2.gz MKZCPRDCNLEGSU-AOOOYVTPSA-N 2 0 348.232 1.455 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@H+](C)CCCCCC[NH3+] ZINC000872155032 596815811 /nfs/dbraw/zinc/81/58/11/596815811.db2.gz KRMSFMNSEDHOQG-CQSZACIVSA-N 2 0 326.485 1.984 20 0 EDADRP C[C@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000872154989 596815875 /nfs/dbraw/zinc/81/58/75/596815875.db2.gz ILIVYDPPDHPOIC-SNVBAGLBSA-N 2 0 326.363 1.214 20 0 EDADRP CC(C)OC[C@@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000872200105 596831931 /nfs/dbraw/zinc/83/19/31/596831931.db2.gz NNXYTJQRHPRKOT-OALUTQOASA-N 2 0 335.492 1.351 20 0 EDADRP CC(C)(C)OC(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000872232864 596846768 /nfs/dbraw/zinc/84/67/68/596846768.db2.gz ILCNDMOMIFDVDC-RBSFLKMASA-N 2 0 327.469 1.336 20 0 EDADRP c1cnc(N2CC[NH+](CCCNc3cc[nH+]cc3C3CC3)CC2)nc1 ZINC000872403227 596898183 /nfs/dbraw/zinc/89/81/83/596898183.db2.gz UEXPONNKGWXVBA-UHFFFAOYSA-N 2 0 338.459 1.795 20 0 EDADRP C[C@@H]1CSC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875576521 596903315 /nfs/dbraw/zinc/90/33/15/596903315.db2.gz XAOUNYYXLIBIBM-KBUPBQIOSA-N 2 0 328.526 1.119 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)NCC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000875619752 596921337 /nfs/dbraw/zinc/92/13/37/596921337.db2.gz YQPSMRJSBAWZEB-UHFFFAOYSA-N 2 0 338.496 1.226 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874432838 597076306 /nfs/dbraw/zinc/07/63/06/597076306.db2.gz RTSPWIKTOFYUPB-MUYFXNHWSA-N 2 0 328.460 1.926 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876110515 597094709 /nfs/dbraw/zinc/09/47/09/597094709.db2.gz OGQNZFVCDPYXNR-UHFFFAOYSA-N 3 0 341.544 1.384 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000125158112 597173866 /nfs/dbraw/zinc/17/38/66/597173866.db2.gz VOKQOUUXIBGANW-HRCADAONSA-N 2 0 328.501 1.467 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000873110003 597198842 /nfs/dbraw/zinc/19/88/42/597198842.db2.gz IMNGLWORCVOMEO-UHFFFAOYSA-N 2 0 348.491 1.973 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@H+]3C)c1 ZINC000873111473 597199813 /nfs/dbraw/zinc/19/98/13/597199813.db2.gz ANKOTDXJUNDOSW-HZPDHXFCSA-N 2 0 330.432 1.087 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000873112698 597200392 /nfs/dbraw/zinc/20/03/92/597200392.db2.gz ZKDLHZOHOOYCTH-HZPDHXFCSA-N 2 0 330.432 1.040 20 0 EDADRP CC[C@H](C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[NH+](C)C ZINC000876519874 597228743 /nfs/dbraw/zinc/22/87/43/597228743.db2.gz BPDQGBCDBATZHF-MRXNPFEDSA-N 2 0 333.432 1.874 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)nn1 ZINC000873218228 597231371 /nfs/dbraw/zinc/23/13/71/597231371.db2.gz ZVKJEFHPWRBRTG-HRCADAONSA-N 3 0 326.448 1.204 20 0 EDADRP Cc1c(C[NH2+][C@@H](C)C2CC[NH2+]CC2)c(=O)n(-c2ccccc2)n1C ZINC000873222229 597231583 /nfs/dbraw/zinc/23/15/83/597231583.db2.gz HRTVLMMXCIRAOO-AWEZNQCLSA-N 2 0 328.460 1.962 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538415 597232607 /nfs/dbraw/zinc/23/26/07/597232607.db2.gz PWUJLNUJRSEHGL-QGZVFWFLSA-N 2 0 345.491 1.720 20 0 EDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000873268358 597243815 /nfs/dbraw/zinc/24/38/15/597243815.db2.gz VOZSOXPGCIYVLD-ZIAGYGMSSA-N 2 0 339.505 1.976 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)C(C)(C)CC2)C1 ZINC000875015798 597244781 /nfs/dbraw/zinc/24/47/81/597244781.db2.gz SRQIZYCSRQQQAW-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCC[C@@H](C)C1 ZINC000875071775 597269885 /nfs/dbraw/zinc/26/98/85/597269885.db2.gz MTMJEMRBCSKMSA-OAGGEKHMSA-N 2 0 340.512 1.251 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876714170 597301013 /nfs/dbraw/zinc/30/10/13/597301013.db2.gz UYGDSSYWGATMTF-UHFFFAOYSA-N 2 0 329.448 1.651 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000876721982 597305548 /nfs/dbraw/zinc/30/55/48/597305548.db2.gz ZAOOFATYUDZLTM-QGZUEGPWSA-N 2 0 328.460 1.718 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876728942 597309460 /nfs/dbraw/zinc/30/94/60/597309460.db2.gz ZYUYLBIMNKJZAM-UONOGXRCSA-N 2 0 329.485 1.412 20 0 EDADRP C[C@H](NC(=O)/C=C\[C@@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000876773435 597334000 /nfs/dbraw/zinc/33/40/00/597334000.db2.gz QUBWKFPBIRTYFT-YHLLGKTKSA-N 2 0 335.492 1.692 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)nc2)CC1 ZINC000876785417 597339254 /nfs/dbraw/zinc/33/92/54/597339254.db2.gz YGKWDSMGOVIXPZ-DYVFJYSZSA-N 2 0 349.454 1.498 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000876800723 597344016 /nfs/dbraw/zinc/34/40/16/597344016.db2.gz QEWQDDATZQSFHT-UHFFFAOYSA-N 2 0 339.443 1.635 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000876871177 597364295 /nfs/dbraw/zinc/36/42/95/597364295.db2.gz QVZAGBCLYISVCS-QWRGUYRKSA-N 2 0 333.358 1.126 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876916405 597384175 /nfs/dbraw/zinc/38/41/75/597384175.db2.gz BDXKFFFYVOTSEK-QZTJIDSGSA-N 2 0 343.471 1.393 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876916407 597384197 /nfs/dbraw/zinc/38/41/97/597384197.db2.gz BDXKFFFYVOTSEK-ROUUACIJSA-N 2 0 343.471 1.393 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876919521 597384631 /nfs/dbraw/zinc/38/46/31/597384631.db2.gz WGEMAYVVBKYYIQ-ZDUSSCGKSA-N 2 0 338.477 1.108 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCCCCCC[NH3+])ccc2[nH]c1=O ZINC000876938090 597390642 /nfs/dbraw/zinc/39/06/42/597390642.db2.gz PINJKQRGFFYEIJ-UHFFFAOYSA-N 2 0 347.463 1.552 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H](N)C[NH+](C)C ZINC000876946297 597392407 /nfs/dbraw/zinc/39/24/07/597392407.db2.gz QGRPRCWRPHNRMH-LHHMISFZSA-N 2 0 332.492 1.385 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]CC1CCS(=O)(=O)CC1 ZINC000876986565 597406116 /nfs/dbraw/zinc/40/61/16/597406116.db2.gz GJFASZAMQMPJQZ-UHFFFAOYSA-N 2 0 340.489 1.541 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000877014807 597412105 /nfs/dbraw/zinc/41/21/05/597412105.db2.gz RIUMWLKYOHKHOR-GFCCVEGCSA-N 2 0 331.338 1.329 20 0 EDADRP C[C@H]1C[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875448547 597432480 /nfs/dbraw/zinc/43/24/80/597432480.db2.gz VYVIUTHFSPWCOP-YLFCFFPRSA-N 2 0 340.512 1.182 20 0 EDADRP CCOC(=O)N[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC(C)C ZINC000877145576 597442745 /nfs/dbraw/zinc/44/27/45/597442745.db2.gz LZVYZZVSHZAHLN-INIZCTEOSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@@H](CCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000875483919 597447780 /nfs/dbraw/zinc/44/77/80/597447780.db2.gz DNCPTXGBHKKIAS-HOTGVXAUSA-N 2 0 340.512 1.395 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000877191994 597457282 /nfs/dbraw/zinc/45/72/82/597457282.db2.gz GOLKSEUUZYEYTC-AWEZNQCLSA-N 2 0 331.464 1.435 20 0 EDADRP CCO[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CCOCC1 ZINC000877199528 597460059 /nfs/dbraw/zinc/46/00/59/597460059.db2.gz UZPRMZYPKQQJHF-QGZVFWFLSA-N 2 0 348.447 1.261 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201150 597460782 /nfs/dbraw/zinc/46/07/82/597460782.db2.gz DRMDZXZJJLNTOM-MOPGFXCFSA-N 2 0 345.487 1.769 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)(c2ccccc2)CC1 ZINC000877225875 597466938 /nfs/dbraw/zinc/46/69/38/597466938.db2.gz XFZJVBRZVGLEGI-XLIONFOSSA-N 2 0 327.472 1.766 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]([NH3+])c3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877236027 597473338 /nfs/dbraw/zinc/47/33/38/597473338.db2.gz UGFLXDZMJMICNT-KSZLIROESA-N 2 0 325.412 1.648 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250097 597479442 /nfs/dbraw/zinc/47/94/42/597479442.db2.gz NHYIUPLVTSAXRO-LEUOFYLZSA-N 2 0 331.460 1.472 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)c2)CC1 ZINC000877282427 597486238 /nfs/dbraw/zinc/48/62/38/597486238.db2.gz LTZJKZXTSQGSPE-MOPGFXCFSA-N 2 0 342.487 1.401 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]3CCO[C@@H]3C[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352086 597498701 /nfs/dbraw/zinc/49/87/01/597498701.db2.gz AUDIZFJTUDFSOE-PNYFIKQUSA-N 2 0 343.471 1.331 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1)C1CCCC1 ZINC000877449351 597517027 /nfs/dbraw/zinc/51/70/27/597517027.db2.gz RFHJGPSOWWVDOC-BPQIPLTHSA-N 2 0 337.508 1.901 20 0 EDADRP COCC[N@@H+](Cc1ccc2c(c1)oc(=O)n2C)CC1CC[NH+](C)CC1 ZINC000877664843 597545941 /nfs/dbraw/zinc/54/59/41/597545941.db2.gz YZOADJHPAYAOOQ-UHFFFAOYSA-N 2 0 347.459 1.922 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CC2CCC3(CC2)OCCO3)C[C@H]1C[NH+](C)C ZINC000877669468 597546476 /nfs/dbraw/zinc/54/64/76/597546476.db2.gz KPOUCDVEJFQQFP-QZTJIDSGSA-N 2 0 339.524 1.591 20 0 EDADRP CCOC(=O)CCC1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000878290780 597592911 /nfs/dbraw/zinc/59/29/11/597592911.db2.gz PEYQWXNQAMCLTN-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP CN(CC[N@H+](C)C[C@H]1CCC2(CCOCC2)O1)C1CC[NH+](C)CC1 ZINC000878311417 597594511 /nfs/dbraw/zinc/59/45/11/597594511.db2.gz KXDKVEQRHTXPAV-GOSISDBHSA-N 2 0 339.524 1.672 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580218 597642124 /nfs/dbraw/zinc/64/21/24/597642124.db2.gz FTLKZWMUSVFMHA-GUDVDZBRSA-N 2 0 344.503 1.432 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@H]3C2)CC1 ZINC000878625496 597659682 /nfs/dbraw/zinc/65/96/82/597659682.db2.gz VTSDOAJQTMDMNX-SFHVURJKSA-N 2 0 342.487 1.334 20 0 EDADRP Cn1nnnc1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000878648106 597667222 /nfs/dbraw/zinc/66/72/22/597667222.db2.gz NSBNSHGQRSZWDI-UHFFFAOYSA-N 2 0 340.475 1.741 20 0 EDADRP C[C@H]1CN(C(=O)NCCCCn2ccnc2)CCN1c1cc[nH+]cc1 ZINC000883174079 597676902 /nfs/dbraw/zinc/67/69/02/597676902.db2.gz AWRUGMCAJMTNCF-INIZCTEOSA-N 2 0 342.447 1.979 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccnn1C ZINC000879686717 597685969 /nfs/dbraw/zinc/68/59/69/597685969.db2.gz HVMKSEYYJIUWEH-PBHICJAKSA-N 2 0 329.448 1.490 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883301868 597707281 /nfs/dbraw/zinc/70/72/81/597707281.db2.gz KKZOIVHSARIRHU-OAHLLOKOSA-N 2 0 340.512 1.659 20 0 EDADRP CCc1csc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000878834281 597729007 /nfs/dbraw/zinc/72/90/07/597729007.db2.gz NBBULTNMOURBJI-CHWSQXEVSA-N 2 0 339.509 1.909 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2CC)[C@@H](C)C1 ZINC000883420322 597740562 /nfs/dbraw/zinc/74/05/62/597740562.db2.gz IINRPFSPTBHKMJ-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP CC1(C)C[C@@H](C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])C(C)(C)O1 ZINC000883426884 597742658 /nfs/dbraw/zinc/74/26/58/597742658.db2.gz CDAYRPCUHBKYLH-LSDHHAIUSA-N 2 0 325.497 1.900 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586602 597815054 /nfs/dbraw/zinc/81/50/54/597815054.db2.gz OLZQURIXJGFBGC-WMZOPIPTSA-N 2 0 343.475 1.797 20 0 EDADRP COCC[N@H+](CCN1C[C@@H](C)O[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879127274 597827869 /nfs/dbraw/zinc/82/78/69/597827869.db2.gz UMGVWYUGLWJVJO-CALCHBBNSA-N 2 0 327.513 1.386 20 0 EDADRP CCC1([NH3+])CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000883627283 597835437 /nfs/dbraw/zinc/83/54/37/597835437.db2.gz WXPJQCYSDGJFDX-UHFFFAOYSA-N 2 0 346.475 1.459 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H](O)c2ccccc2)CC1 ZINC000879239847 597862100 /nfs/dbraw/zinc/86/21/00/597862100.db2.gz HTMYBGKFSXPXOO-UYAOXDASSA-N 2 0 345.487 1.785 20 0 EDADRP CO[C@H]1COCC[C@H]1[NH+](C)C/C=C\C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880431699 597932439 /nfs/dbraw/zinc/93/24/39/597932439.db2.gz DTWREOKBONXGMQ-JPVWCZMSSA-N 2 0 342.480 1.014 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C[NH+]1CCCCC1 ZINC000884197231 598024069 /nfs/dbraw/zinc/02/40/69/598024069.db2.gz ODDGSPVFERMASK-MRXNPFEDSA-N 2 0 345.491 1.343 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)n1 ZINC000884207806 598029956 /nfs/dbraw/zinc/02/99/56/598029956.db2.gz GSDSVNTWBAGDCY-OAHLLOKOSA-N 2 0 341.415 1.699 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000884229128 598037624 /nfs/dbraw/zinc/03/76/24/598037624.db2.gz INPXAUQJCXIPCG-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000884293086 598057463 /nfs/dbraw/zinc/05/74/63/598057463.db2.gz SSWBFOAITMNAIY-STQMWFEESA-N 2 0 338.249 1.707 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000884393050 598090872 /nfs/dbraw/zinc/09/08/72/598090872.db2.gz UBHHRKDEJKVAAS-HZPDHXFCSA-N 2 0 325.497 1.709 20 0 EDADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCCC1)c1ccc(Br)cc1 ZINC000884403330 598094928 /nfs/dbraw/zinc/09/49/28/598094928.db2.gz AUVDAGYWVKPMSS-LBPRGKRZSA-N 2 0 326.238 1.837 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])Cc1c[nH]c3ccccc13)C2 ZINC000884442756 598106711 /nfs/dbraw/zinc/10/67/11/598106711.db2.gz PLMYLKFCTTUJLF-LZQZEXGQSA-N 2 0 326.444 1.496 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)C[NH+](C)C1CCC1 ZINC001067670993 695177994 /nfs/dbraw/zinc/17/79/94/695177994.db2.gz OESFWBMHDAHFSC-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@@H]3C2)CC1 ZINC000992850151 695406680 /nfs/dbraw/zinc/40/66/80/695406680.db2.gz BMMQANWFCOKFJZ-BBWFWOEESA-N 2 0 325.472 1.905 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cscn3)[C@H]2C1 ZINC000992924368 695456336 /nfs/dbraw/zinc/45/63/36/695456336.db2.gz XMPVHHYDEKZPLA-BHYGNILZSA-N 2 0 348.516 1.956 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000923597322 695982506 /nfs/dbraw/zinc/98/25/06/695982506.db2.gz MYBJWZQIBCLYPF-INIZCTEOSA-N 2 0 343.468 1.271 20 0 EDADRP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994248132 696637876 /nfs/dbraw/zinc/63/78/76/696637876.db2.gz DNDSGUVVXNEDST-AEFFLSMTSA-N 2 0 342.487 1.955 20 0 EDADRP Cc1nccnc1CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994256948 696662485 /nfs/dbraw/zinc/66/24/85/696662485.db2.gz RWBNXXFZAVXPRW-JKSUJKDBSA-N 2 0 343.475 1.350 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000994260049 696672781 /nfs/dbraw/zinc/67/27/81/696672781.db2.gz XKELOSPBVWIFER-NVXWUHKLSA-N 2 0 345.491 1.028 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994406004 696829455 /nfs/dbraw/zinc/82/94/55/696829455.db2.gz JYNOXXKCGXAKJX-QZTJIDSGSA-N 2 0 347.507 1.565 20 0 EDADRP Cc1cccc(NCCNC(=O)N[C@H](C)[C@@H](C)N2CCOCC2)n1 ZINC000917008192 696874992 /nfs/dbraw/zinc/87/49/92/696874992.db2.gz YEZXWZXVVGLZRP-HUUCEWRRSA-N 2 0 335.452 1.210 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000925435403 696970340 /nfs/dbraw/zinc/97/03/40/696970340.db2.gz QEOJIYHDACYHTN-ROUUACIJSA-N 2 0 330.476 1.649 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](CC3CCOCC3)C2)c1 ZINC001031433630 697095444 /nfs/dbraw/zinc/09/54/44/697095444.db2.gz OKPNQWNVRQDZCK-UHFFFAOYSA-N 2 0 331.460 1.589 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)CCO1 ZINC001031434230 697097525 /nfs/dbraw/zinc/09/75/25/697097525.db2.gz ZFZPYHHFBOAUBL-NVXWUHKLSA-N 2 0 345.487 1.977 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@@H](O)C3CCCCC3)C2)CC[N@@H+]1C ZINC001031681755 697505695 /nfs/dbraw/zinc/50/56/95/697505695.db2.gz HXOAXKBRHMAFJQ-ZTFGCOKTSA-N 2 0 337.508 1.316 20 0 EDADRP [NH3+]C1(CC(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCC1 ZINC000237730381 698314394 /nfs/dbraw/zinc/31/43/94/698314394.db2.gz HZZXXZSLISBKHT-HNNXBMFYSA-N 2 0 331.416 1.805 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115616 700230875 /nfs/dbraw/zinc/23/08/75/700230875.db2.gz OZKAJQJOQXPWBT-KRWDZBQOSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000446278570 699049409 /nfs/dbraw/zinc/04/94/09/699049409.db2.gz WXISNNDJYHZJMN-HIFRSBDPSA-N 2 0 339.443 1.621 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)CCO1 ZINC001031764733 699049651 /nfs/dbraw/zinc/04/96/51/699049651.db2.gz MIWKPIGXJOZYPJ-DLBZAZTESA-N 2 0 349.519 1.726 20 0 EDADRP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001031764581 699053498 /nfs/dbraw/zinc/05/34/98/699053498.db2.gz JGHSEDCJMCYKQA-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939063618 699130516 /nfs/dbraw/zinc/13/05/16/699130516.db2.gz JCVJFTVHASFHCP-FZMZJTMJSA-N 2 0 337.493 1.125 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939064184 699131627 /nfs/dbraw/zinc/13/16/27/699131627.db2.gz RWBLHYXFKWLAAF-KXBFYZLASA-N 2 0 345.487 1.457 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939133669 699218158 /nfs/dbraw/zinc/21/81/58/699218158.db2.gz SWLMZZPLPLLYOQ-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939133668 699218293 /nfs/dbraw/zinc/21/82/93/699218293.db2.gz SWLMZZPLPLLYOQ-RHSMWYFYSA-N 2 0 348.466 1.889 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939132129 699230749 /nfs/dbraw/zinc/23/07/49/699230749.db2.gz FNXKCOPGQGQFBA-YOEHRIQHSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939138454 699235974 /nfs/dbraw/zinc/23/59/74/699235974.db2.gz ZAJNECMJNRMLBN-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939213874 699363864 /nfs/dbraw/zinc/36/38/64/699363864.db2.gz GPWKHKWJOWDXGI-SCLBCKFNSA-N 2 0 340.427 1.619 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939256880 699433908 /nfs/dbraw/zinc/43/39/08/699433908.db2.gz GEOOXHXKVRPJOE-DOMZBBRYSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939257011 699434343 /nfs/dbraw/zinc/43/43/43/699434343.db2.gz HYSDXKDGJVMWPT-YOEHRIQHSA-N 2 0 333.480 1.089 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC001031812432 699497310 /nfs/dbraw/zinc/49/73/10/699497310.db2.gz BYFMXYIOUAWRHZ-KRWDZBQOSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995164913 701604651 /nfs/dbraw/zinc/60/46/51/701604651.db2.gz BZBVMYVHVVRWQZ-HOTGVXAUSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939543831 699685092 /nfs/dbraw/zinc/68/50/92/699685092.db2.gz GCRYPTZOFWQEMF-WBVHZDCISA-N 2 0 328.460 1.422 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1NCc1coc(C2CC2)n1 ZINC000939755530 699906493 /nfs/dbraw/zinc/90/64/93/699906493.db2.gz QSAKEQNWRBNYRC-BBRMVZONSA-N 2 0 332.448 1.584 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939757593 699924789 /nfs/dbraw/zinc/92/47/89/699924789.db2.gz YWARELZWNIKNEA-DZGCQCFKSA-N 2 0 334.464 1.578 20 0 EDADRP CC1(C)CC(C[NH+]2CC(N3CCN(C(=O)C[NH+]4CCCC4)CC3)C2)C1 ZINC000941668253 701622212 /nfs/dbraw/zinc/62/22/12/701622212.db2.gz JQQIQGRTAKENGP-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)CCO1 ZINC001031850123 699938892 /nfs/dbraw/zinc/93/88/92/699938892.db2.gz POWRXOWFZZSVFH-GJZGRUSLSA-N 2 0 342.443 1.811 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939808450 699957115 /nfs/dbraw/zinc/95/71/15/699957115.db2.gz DVWCCROJVNNRDQ-DLBZAZTESA-N 2 0 347.507 1.716 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940141846 700269690 /nfs/dbraw/zinc/26/96/90/700269690.db2.gz INBFWSFPDFTVIE-INIZCTEOSA-N 2 0 345.491 1.822 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000940148640 700281679 /nfs/dbraw/zinc/28/16/79/700281679.db2.gz BXZNTOTXZBQXIU-HNNXBMFYSA-N 2 0 335.452 1.189 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940149402 700282261 /nfs/dbraw/zinc/28/22/61/700282261.db2.gz KSURMIWBHJLZNO-MRXNPFEDSA-N 2 0 349.479 1.803 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)C1CC1 ZINC000940149591 700282534 /nfs/dbraw/zinc/28/25/34/700282534.db2.gz MGVAMXNVOWIDFS-AWEZNQCLSA-N 2 0 337.493 1.349 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1)[NH+](C)C ZINC000940163164 700297411 /nfs/dbraw/zinc/29/74/11/700297411.db2.gz WJFBBGVASFULRD-CVEARBPZSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995166650 701628873 /nfs/dbraw/zinc/62/88/73/701628873.db2.gz GMIHEADHKHOEHT-ZIAGYGMSSA-N 2 0 349.504 1.317 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940194485 700332668 /nfs/dbraw/zinc/33/26/68/700332668.db2.gz RWGITKAXMFXBAZ-INIZCTEOSA-N 2 0 349.479 1.661 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327951 700505317 /nfs/dbraw/zinc/50/53/17/700505317.db2.gz ARFJBPRBMIXKPJ-DOTOQJQBSA-N 2 0 347.507 1.571 20 0 EDADRP CCc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995169526 701649035 /nfs/dbraw/zinc/64/90/35/701649035.db2.gz UOGUHKVIHIXRLC-CABCVRRESA-N 2 0 346.475 1.707 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)[nH]1 ZINC000940392439 700568865 /nfs/dbraw/zinc/56/88/65/700568865.db2.gz ZVBWZNMLBAIXHW-UHFFFAOYSA-N 2 0 348.495 1.316 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426313 700619996 /nfs/dbraw/zinc/61/99/96/700619996.db2.gz PKMYLFFAJAFMEJ-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccccn2)C1)C12CC[NH+](CC1)C2 ZINC000995168191 701658993 /nfs/dbraw/zinc/65/89/93/701658993.db2.gz NBURNGMCEYSOQN-HOTGVXAUSA-N 2 0 328.460 1.552 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940472554 700657701 /nfs/dbraw/zinc/65/77/01/700657701.db2.gz CXKXWIOVNQPYGZ-HNNXBMFYSA-N 2 0 349.479 1.723 20 0 EDADRP CC1([NH2+]Cc2ncccn2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472307 700657798 /nfs/dbraw/zinc/65/77/98/700657798.db2.gz RETFOUHICWZPBU-UHFFFAOYSA-N 2 0 345.491 1.823 20 0 EDADRP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000940457456 700660912 /nfs/dbraw/zinc/66/09/12/700660912.db2.gz GPMUWGDKWBUHSY-KRWDZBQOSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082693 700725402 /nfs/dbraw/zinc/72/54/02/700725402.db2.gz ZJESOGNFTBRKOP-DZGCQCFKSA-N 2 0 335.452 1.094 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000995112505 701012437 /nfs/dbraw/zinc/01/24/37/701012437.db2.gz MCHOAJRILOXPEE-JKSUJKDBSA-N 2 0 349.479 1.484 20 0 EDADRP CC(C)c1nccn1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1 ZINC000995116807 701065930 /nfs/dbraw/zinc/06/59/30/701065930.db2.gz YMBSKKQOIUXLBO-UONOGXRCSA-N 2 0 346.435 1.464 20 0 EDADRP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921938 701071523 /nfs/dbraw/zinc/07/15/23/701071523.db2.gz OAQTTWSNKIZVNH-QAPCUYQASA-N 2 0 337.508 1.866 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000995119580 701110683 /nfs/dbraw/zinc/11/06/83/701110683.db2.gz LZWPUOBETTWKSW-FUHWJXTLSA-N 2 0 347.507 1.527 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941078290 701140064 /nfs/dbraw/zinc/14/00/64/701140064.db2.gz CPQRTDZPCBDGSK-INIZCTEOSA-N 2 0 325.497 1.317 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163989 701228987 /nfs/dbraw/zinc/22/89/87/701228987.db2.gz RDSIPVCTRAZWQA-ZBFHGGJFSA-N 2 0 334.464 1.733 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999168214 706595724 /nfs/dbraw/zinc/59/57/24/706595724.db2.gz GWHDUAIDQWXSRX-LEOMRAHMSA-N 2 0 345.491 1.374 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999168583 706596643 /nfs/dbraw/zinc/59/66/43/706596643.db2.gz GXECXHHAPQHVDU-JKSUJKDBSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169137 706597517 /nfs/dbraw/zinc/59/75/17/706597517.db2.gz ITQYAVQXMSXZJK-AEFFLSMTSA-N 2 0 346.475 1.714 20 0 EDADRP CC1(C)C[N@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166898 701377790 /nfs/dbraw/zinc/37/77/90/701377790.db2.gz LFBSTIFFFAMEBC-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218107 701392956 /nfs/dbraw/zinc/39/29/56/701392956.db2.gz VNTUPOQDBKVTLX-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP CC1(C)C[N@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215061 701401410 /nfs/dbraw/zinc/40/14/10/701401410.db2.gz KPNVJGSQQGHUAX-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217141 701403275 /nfs/dbraw/zinc/40/32/75/701403275.db2.gz KCNLXJQDZMXAPE-NVXWUHKLSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000995133421 701404746 /nfs/dbraw/zinc/40/47/46/701404746.db2.gz LXSRKDZMTQANCY-HOTGVXAUSA-N 2 0 349.479 1.484 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221341 701412095 /nfs/dbraw/zinc/41/20/95/701412095.db2.gz RJAVYKVFUKBEEO-IAGOWNOFSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000995136835 701446875 /nfs/dbraw/zinc/44/68/75/701446875.db2.gz WLXJZFIRYNWQAT-CVEARBPZSA-N 2 0 349.479 1.484 20 0 EDADRP Cc1cnc(CN[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000999174040 706605661 /nfs/dbraw/zinc/60/56/61/706605661.db2.gz NJQGZKPWPXVFRH-IRXDYDNUSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1ccc(C)c(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130386 701841329 /nfs/dbraw/zinc/84/13/29/701841329.db2.gz NVTFZOXQCWJJPI-UHFFFAOYSA-N 2 0 327.472 1.947 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1C ZINC001032130390 701841693 /nfs/dbraw/zinc/84/16/93/701841693.db2.gz OAVBQIWLEGDTHZ-UHFFFAOYSA-N 2 0 343.471 1.647 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031976514 701965068 /nfs/dbraw/zinc/96/50/68/701965068.db2.gz NODBGXIIJRKUFV-CRAIPNDOSA-N 2 0 337.508 1.439 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032205714 702093874 /nfs/dbraw/zinc/09/38/74/702093874.db2.gz GJNBXRIPEKBGMS-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)on1 ZINC000995824386 702095432 /nfs/dbraw/zinc/09/54/32/702095432.db2.gz ILZBRTIDNLJDTP-FVQBIDKESA-N 2 0 334.464 1.650 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCn1cccn1 ZINC000995825343 702096936 /nfs/dbraw/zinc/09/69/36/702096936.db2.gz RYSZWUZKSVMXBB-DLBZAZTESA-N 2 0 345.491 1.052 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995835400 702112479 /nfs/dbraw/zinc/11/24/79/702112479.db2.gz WZDHQVKOOUNKLF-WQVCFCJDSA-N 2 0 334.464 1.650 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)ncn1 ZINC000995891910 702191109 /nfs/dbraw/zinc/19/11/09/702191109.db2.gz DXRBIAMTFPNHJE-SJORKVTESA-N 2 0 345.491 1.452 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995920929 702242669 /nfs/dbraw/zinc/24/26/69/702242669.db2.gz WKTYXVMPIIPFTR-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000995922567 702245930 /nfs/dbraw/zinc/24/59/30/702245930.db2.gz FLWALVWMYCZHQT-IRXDYDNUSA-N 2 0 347.507 1.698 20 0 EDADRP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171648 702417604 /nfs/dbraw/zinc/41/76/04/702417604.db2.gz ZMGDOUKMCVMTGX-FUHWJXTLSA-N 2 0 349.519 1.726 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCCCO3)C(C)(C)C2)CC1 ZINC000996220835 702632112 /nfs/dbraw/zinc/63/21/12/702632112.db2.gz GFJFJLXZXGLEDL-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)CC1 ZINC000996223230 702633035 /nfs/dbraw/zinc/63/30/35/702633035.db2.gz PKCDAPIHITUOFB-OAHLLOKOSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996224345 702634320 /nfs/dbraw/zinc/63/43/20/702634320.db2.gz VLTGNQKKMHHRPM-INIZCTEOSA-N 2 0 334.464 1.651 20 0 EDADRP COc1ccnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995210508 702686158 /nfs/dbraw/zinc/68/61/58/702686158.db2.gz MDQBKFGEXJSLLV-HZPDHXFCSA-N 2 0 346.475 1.561 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996299731 702690384 /nfs/dbraw/zinc/69/03/84/702690384.db2.gz DKJLPVHEZMVJEF-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000996299979 702691191 /nfs/dbraw/zinc/69/11/91/702691191.db2.gz HWRMZMLIUATSMW-QAPCUYQASA-N 2 0 347.503 1.612 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300391 702691671 /nfs/dbraw/zinc/69/16/71/702691671.db2.gz LHNIUMSLCSIZKI-DYVFJYSZSA-N 2 0 329.460 1.018 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300476 702692183 /nfs/dbraw/zinc/69/21/83/702692183.db2.gz MTVFHYJNZOAMMD-HOCLYGCPSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996301485 702693332 /nfs/dbraw/zinc/69/33/32/702693332.db2.gz UFPLUXLZBICNST-GXTWGEPZSA-N 2 0 335.452 1.189 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2nccn2CC)C(C)(C)C1)[NH+](C)C ZINC000996315359 702703468 /nfs/dbraw/zinc/70/34/68/702703468.db2.gz NLQOLOIFYVWBMB-LSDHHAIUSA-N 2 0 335.496 1.570 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)[NH+](C)C ZINC000996315952 702704131 /nfs/dbraw/zinc/70/41/31/702704131.db2.gz VHBHQBQCBJEJQN-HOTGVXAUSA-N 2 0 336.455 1.888 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465182 702792556 /nfs/dbraw/zinc/79/25/56/702792556.db2.gz SGOJXQCNBWKETG-GOSISDBHSA-N 2 0 347.507 1.682 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040953206 702802409 /nfs/dbraw/zinc/80/24/09/702802409.db2.gz KXCRNUKEHKIAEH-KRWDZBQOSA-N 2 0 337.508 1.558 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996512071 702831399 /nfs/dbraw/zinc/83/13/99/702831399.db2.gz ABVPQRTXJWGWTH-RDJZCZTQSA-N 2 0 347.507 1.131 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996500919 702839842 /nfs/dbraw/zinc/83/98/42/702839842.db2.gz ICTPSHHBDZKKPC-XJKSGUPXSA-N 2 0 333.436 1.025 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518602 702854040 /nfs/dbraw/zinc/85/40/40/702854040.db2.gz LXLGVSYJCFZKAA-WBVHZDCISA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1ncccn1 ZINC000996562155 702876034 /nfs/dbraw/zinc/87/60/34/702876034.db2.gz VNVDKGHRSRICNZ-PBHICJAKSA-N 2 0 343.475 1.460 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996614132 702919205 /nfs/dbraw/zinc/91/92/05/702919205.db2.gz YXRJZMVDWYATTC-KRWDZBQOSA-N 2 0 330.476 1.812 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996609697 702920792 /nfs/dbraw/zinc/92/07/92/702920792.db2.gz WMTOIFYRNDUWSJ-CZUORRHYSA-N 2 0 334.464 1.658 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCc3ccns3)C(C)(C)C2)C1 ZINC000996610006 702921165 /nfs/dbraw/zinc/92/11/65/702921165.db2.gz IVSCQZATLUISQT-ZFWWWQNUSA-N 2 0 336.505 1.464 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996610106 702921176 /nfs/dbraw/zinc/92/11/76/702921176.db2.gz YITSKFGIGKMWFC-RHSMWYFYSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1)c1cnccn1 ZINC000996652032 702941491 /nfs/dbraw/zinc/94/14/91/702941491.db2.gz SMDUWPCLQOPFIK-ZDUSSCGKSA-N 2 0 328.420 1.474 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996666998 702963873 /nfs/dbraw/zinc/96/38/73/702963873.db2.gz RLYFEDXEOVKNOG-UHFFFAOYSA-N 2 0 333.480 1.468 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996664286 702966579 /nfs/dbraw/zinc/96/65/79/702966579.db2.gz UKTSOKWMSNDAJB-GOEBONIOSA-N 2 0 348.495 1.331 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996673277 702968856 /nfs/dbraw/zinc/96/88/56/702968856.db2.gz VEORGONLGBJBDD-UHFFFAOYSA-N 2 0 330.476 1.955 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996673331 702968879 /nfs/dbraw/zinc/96/88/79/702968879.db2.gz WHCLRTHXBJSHNV-UHFFFAOYSA-N 2 0 348.495 1.171 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)C1CC1 ZINC000996674218 702969367 /nfs/dbraw/zinc/96/93/67/702969367.db2.gz BEJNIFULYKFONU-DLBZAZTESA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996681301 702979719 /nfs/dbraw/zinc/97/97/19/702979719.db2.gz YZPCJZMFSLLVSN-KRWDZBQOSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000996724549 703019436 /nfs/dbraw/zinc/01/94/36/703019436.db2.gz QPLZUKZMOWBBIC-AWEZNQCLSA-N 2 0 337.493 1.411 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996727527 703022285 /nfs/dbraw/zinc/02/22/85/703022285.db2.gz GXGSOCPKQDGYRE-SFHVURJKSA-N 2 0 330.476 1.955 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996731113 703028263 /nfs/dbraw/zinc/02/82/63/703028263.db2.gz UVLRNJPJTXMARQ-QGZVFWFLSA-N 2 0 334.439 1.786 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1ncccn1 ZINC000996765994 703057377 /nfs/dbraw/zinc/05/73/77/703057377.db2.gz JOWPTIORPMEPFD-HNNXBMFYSA-N 2 0 343.475 1.747 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996769706 703064528 /nfs/dbraw/zinc/06/45/28/703064528.db2.gz UCKOKUQXUZQADP-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996857102 703135166 /nfs/dbraw/zinc/13/51/66/703135166.db2.gz LJXFERBREMUSEM-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C)n3)CC2)C1 ZINC000996903093 703177643 /nfs/dbraw/zinc/17/76/43/703177643.db2.gz GZTOZGHYKMDTQX-HNNXBMFYSA-N 2 0 348.495 1.018 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996998500 703255568 /nfs/dbraw/zinc/25/55/68/703255568.db2.gz KEIAXPGXJIWBCN-CQSZACIVSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)ncn1 ZINC000997000548 703257234 /nfs/dbraw/zinc/25/72/34/703257234.db2.gz QPRGBEZPXRGYQI-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000996996871 703260610 /nfs/dbraw/zinc/26/06/10/703260610.db2.gz AJGRCPSXFZIHOR-KGLIPLIRSA-N 2 0 349.479 1.615 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)[nH]1 ZINC000997004148 703261240 /nfs/dbraw/zinc/26/12/40/703261240.db2.gz BVDMOTSMJYBWTC-DZGCQCFKSA-N 2 0 348.495 1.206 20 0 EDADRP Cn1cc(CC[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC000997059302 703304788 /nfs/dbraw/zinc/30/47/88/703304788.db2.gz YUDJQNXJIQQGGI-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)CC1 ZINC001032700649 706738502 /nfs/dbraw/zinc/73/85/02/706738502.db2.gz VQIDJHRQSOKDAT-OALUTQOASA-N 2 0 349.519 1.820 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997116370 703370101 /nfs/dbraw/zinc/37/01/01/703370101.db2.gz XMLAQYACEYJHBS-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000921528700 703387080 /nfs/dbraw/zinc/38/70/80/703387080.db2.gz VMGNKXBBUCSOHG-UHFFFAOYSA-N 2 0 337.439 1.730 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1)[NH+]1CCCCC1 ZINC001032404373 703423972 /nfs/dbraw/zinc/42/39/72/703423972.db2.gz FMEUUWVJSJAGLG-IKGGRYGDSA-N 2 0 335.492 1.573 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997184097 703469680 /nfs/dbraw/zinc/46/96/80/703469680.db2.gz MHWKAYUTZHLPDN-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184974 703473991 /nfs/dbraw/zinc/47/39/91/703473991.db2.gz OEXKQMMSLBQQAQ-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)O1 ZINC000997186468 703475691 /nfs/dbraw/zinc/47/56/91/703475691.db2.gz NMZOWROLPVPTHC-HOCLYGCPSA-N 2 0 346.475 1.909 20 0 EDADRP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997202523 703483869 /nfs/dbraw/zinc/48/38/69/703483869.db2.gz HPQKQJDCWLIOLG-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)C1CC[NH+](CCCO)CC1 ZINC000997228025 703503906 /nfs/dbraw/zinc/50/39/06/703503906.db2.gz DCTFOIOVAVXKQJ-CQSZACIVSA-N 2 0 330.432 1.547 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997359232 703589838 /nfs/dbraw/zinc/58/98/38/703589838.db2.gz HHCOLSWLJWTBHB-GJZGRUSLSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000997366453 703600573 /nfs/dbraw/zinc/60/05/73/703600573.db2.gz BGGBKNHMYRYZRB-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997422741 703671182 /nfs/dbraw/zinc/67/11/82/703671182.db2.gz YTGLYVUZJHJTBN-WBVHZDCISA-N 2 0 333.480 1.052 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995550579 703954503 /nfs/dbraw/zinc/95/45/03/703954503.db2.gz JUZJEFKWIJSGDQ-CVEARBPZSA-N 2 0 331.464 1.206 20 0 EDADRP C[C@H](NC(=O)c1ccn2c[nH+]cc2c1)C1CC[NH+](CCCO)CC1 ZINC000997660320 703984314 /nfs/dbraw/zinc/98/43/14/703984314.db2.gz SEGHEKJHWRBILK-AWEZNQCLSA-N 2 0 330.432 1.547 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001033082290 704139178 /nfs/dbraw/zinc/13/91/78/704139178.db2.gz PWLFUSFQZHSEQQ-OALUTQOASA-N 2 0 342.487 1.765 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000360648564 704140135 /nfs/dbraw/zinc/14/01/35/704140135.db2.gz IRXRIIJDCLTWGE-PHZGNYQRSA-N 2 0 342.528 1.027 20 0 EDADRP COCCN1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032537593 704579650 /nfs/dbraw/zinc/57/96/50/704579650.db2.gz CDOJSMQRWAUTSD-IRXDYDNUSA-N 2 0 331.460 1.336 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccn1 ZINC000947934203 704608537 /nfs/dbraw/zinc/60/85/37/704608537.db2.gz JQGYNZLNNVUUIA-JKSUJKDBSA-N 2 0 328.460 1.647 20 0 EDADRP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)C1CC[NH+](CCO)CC1 ZINC000997749724 704649862 /nfs/dbraw/zinc/64/98/62/704649862.db2.gz YMNUJBMVXZWRSO-INIZCTEOSA-N 2 0 347.503 1.613 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997784280 704688052 /nfs/dbraw/zinc/68/80/52/704688052.db2.gz OEWPQNPFNHSRSB-GOSISDBHSA-N 2 0 345.491 1.090 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997783565 704693717 /nfs/dbraw/zinc/69/37/17/704693717.db2.gz HNUGUWQROIEVRS-KRWDZBQOSA-N 2 0 348.516 1.813 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000997792619 704701196 /nfs/dbraw/zinc/70/11/96/704701196.db2.gz JADZOJGRGOZYOT-CRAIPNDOSA-N 2 0 337.508 1.581 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804389 704716259 /nfs/dbraw/zinc/71/62/59/704716259.db2.gz RFMMPICOXUVYEN-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997822206 704741855 /nfs/dbraw/zinc/74/18/55/704741855.db2.gz RNXWKKVLZUBBAG-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CC1 ZINC000997830597 704748920 /nfs/dbraw/zinc/74/89/20/704748920.db2.gz JUAPQQJUBWWLJB-SFHVURJKSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997830379 704749021 /nfs/dbraw/zinc/74/90/21/704749021.db2.gz JEUJGUKEWYKGCA-KRWDZBQOSA-N 2 0 334.464 1.651 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831617 704749766 /nfs/dbraw/zinc/74/97/66/704749766.db2.gz VZCYQAXKMITZEZ-SFHVURJKSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccns2)CC1 ZINC000997837446 704755344 /nfs/dbraw/zinc/75/53/44/704755344.db2.gz SROMRHPAASTBKB-AWEZNQCLSA-N 2 0 348.516 1.956 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2cnon2)CC1)C12CCC[NH+]1CCC2 ZINC000997889691 704791343 /nfs/dbraw/zinc/79/13/43/704791343.db2.gz ZDGQSSGBZVOHDU-UHFFFAOYSA-N 2 0 333.436 1.026 20 0 EDADRP Cc1cncn1CC(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997913510 704974009 /nfs/dbraw/zinc/97/40/09/704974009.db2.gz AAZQFKVTYNNVBZ-UHFFFAOYSA-N 2 0 345.422 1.754 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077428 705297683 /nfs/dbraw/zinc/29/76/83/705297683.db2.gz FVCMGCJSEFQFLY-OCCSQVGLSA-N 2 0 337.493 1.064 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1ncccn1 ZINC000998080929 705300201 /nfs/dbraw/zinc/30/02/01/705300201.db2.gz GANDZROZJOGLGV-HOTGVXAUSA-N 2 0 345.491 1.708 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC(C[NH2+]CC3CC3)CC2)cn1 ZINC000998145910 705416293 /nfs/dbraw/zinc/41/62/93/705416293.db2.gz LGJCRSFJGSHEIJ-UHFFFAOYSA-N 2 0 333.480 1.297 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)Cc3cncn3C)CC2)no1 ZINC000998224136 705553119 /nfs/dbraw/zinc/55/31/19/705553119.db2.gz YGOPOPJLXYZDHP-UHFFFAOYSA-N 2 0 331.420 1.287 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998267298 705642182 /nfs/dbraw/zinc/64/21/82/705642182.db2.gz VXMAEFZJBYTYQU-DOTOQJQBSA-N 2 0 345.491 1.626 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998286222 705681737 /nfs/dbraw/zinc/68/17/37/705681737.db2.gz JBLHGQNWDBHDTH-HOTGVXAUSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)c2ccccc2)CC1 ZINC000921666296 705950449 /nfs/dbraw/zinc/95/04/49/705950449.db2.gz CUSRBFVHMHXGJJ-GOSISDBHSA-N 2 0 326.444 1.866 20 0 EDADRP CN(C)c1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000998718971 706150983 /nfs/dbraw/zinc/15/09/83/706150983.db2.gz DJSXALLMSHWAPM-PKOBYXMFSA-N 2 0 344.503 1.927 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998735039 706168899 /nfs/dbraw/zinc/16/88/99/706168899.db2.gz YKQNBFBTVJTVPO-ROUUACIJSA-N 2 0 347.507 1.947 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998867277 706296820 /nfs/dbraw/zinc/29/68/20/706296820.db2.gz PHPRHIAIEMZBNX-PIMMBPRGSA-N 2 0 337.493 1.492 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC000998986368 706418184 /nfs/dbraw/zinc/41/81/84/706418184.db2.gz FRRJCYGPCIUZHD-AGERRDQYSA-N 2 0 346.475 1.188 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2cnns2)C1 ZINC000999123324 706548379 /nfs/dbraw/zinc/54/83/79/706548379.db2.gz IJJQSZLPXWIBJH-UHFFFAOYSA-N 2 0 342.428 1.579 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999144723 706558060 /nfs/dbraw/zinc/55/80/60/706558060.db2.gz MURPSPDONKOUAD-NVXWUHKLSA-N 2 0 348.495 1.251 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999145000 706558886 /nfs/dbraw/zinc/55/88/86/706558886.db2.gz NVHPYWSRMIMVSK-WBVHZDCISA-N 2 0 333.480 1.374 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146958 706560499 /nfs/dbraw/zinc/56/04/99/706560499.db2.gz ZDLTYMSSEQKLLY-IRXDYDNUSA-N 2 0 334.464 1.936 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000999366080 706879864 /nfs/dbraw/zinc/87/98/64/706879864.db2.gz USPQGGAUNXMOSN-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999397933 706892259 /nfs/dbraw/zinc/89/22/59/706892259.db2.gz AJXWCFSGTCVNGA-ROUUACIJSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1C ZINC000999403459 706912229 /nfs/dbraw/zinc/91/22/29/706912229.db2.gz PFJIRZQTUMTKCK-UHFFFAOYSA-N 2 0 347.507 1.539 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999403519 706912270 /nfs/dbraw/zinc/91/22/70/706912270.db2.gz QOPWRHLAIAIFOA-GTPINHCMSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999407424 706917184 /nfs/dbraw/zinc/91/71/84/706917184.db2.gz UUCBCIVDXUAGQK-NVPAJSRCSA-N 2 0 334.439 1.784 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2cncs2)C1 ZINC000999410306 706920156 /nfs/dbraw/zinc/92/01/56/706920156.db2.gz UYANTKSXMXWQHY-UHFFFAOYSA-N 2 0 336.505 1.954 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999572329 707078368 /nfs/dbraw/zinc/07/83/68/707078368.db2.gz CQWUVMAJYGASPX-WMZOPIPTSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999572914 707079303 /nfs/dbraw/zinc/07/93/03/707079303.db2.gz GGJXRKYRQFJDDC-MSOLQXFVSA-N 2 0 347.507 1.621 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999699420 707227656 /nfs/dbraw/zinc/22/76/56/707227656.db2.gz SNHNHOOKGURPOC-UHFFFAOYSA-N 2 0 342.447 1.274 20 0 EDADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033255346 707244612 /nfs/dbraw/zinc/24/46/12/707244612.db2.gz KAUJWPSXNAAFBT-HNNXBMFYSA-N 2 0 331.395 1.773 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCc2ccns2)C1 ZINC000999689990 707246300 /nfs/dbraw/zinc/24/63/00/707246300.db2.gz UGFVQZPVTNFJIL-WLYUNCDWSA-N 2 0 336.505 1.606 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033181994 707340995 /nfs/dbraw/zinc/34/09/95/707340995.db2.gz LGXFMDPZJVXPDA-QGZVFWFLSA-N 2 0 345.491 1.292 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033308215 707472809 /nfs/dbraw/zinc/47/28/09/707472809.db2.gz FHUJAZLPBAGXQJ-RHSMWYFYSA-N 2 0 328.416 1.399 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033357896 707677036 /nfs/dbraw/zinc/67/70/36/707677036.db2.gz DANRWVJTQAUPDS-YESZJQIVSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033396464 707735152 /nfs/dbraw/zinc/73/51/52/707735152.db2.gz NUCBDZACHBYPIR-OAHLLOKOSA-N 2 0 329.435 1.906 20 0 EDADRP COC(=O)[C@H](C)Oc1ccccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000921705300 707864350 /nfs/dbraw/zinc/86/43/50/707864350.db2.gz SDIZZEJDMBQZQH-HOTGVXAUSA-N 2 0 349.475 1.352 20 0 EDADRP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1 ZINC001032759531 707869518 /nfs/dbraw/zinc/86/95/18/707869518.db2.gz RFNNLBIUPVXWAP-PVAVHDDUSA-N 2 0 332.448 1.064 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1)OC ZINC001033229551 707884421 /nfs/dbraw/zinc/88/44/21/707884421.db2.gz CHBICBIHRHICSZ-DOTOQJQBSA-N 2 0 330.432 1.906 20 0 EDADRP CCc1noc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C ZINC001032782720 707976082 /nfs/dbraw/zinc/97/60/82/707976082.db2.gz JRVJIQWIHSYJCD-GJZGRUSLSA-N 2 0 343.431 1.536 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2(C3CC[NH+](C[C@H]4CCCCO4)CC3)CC2)C1 ZINC001000334288 707985878 /nfs/dbraw/zinc/98/58/78/707985878.db2.gz UPIGGHYCMDQFDJ-FUHWJXTLSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1 ZINC001032800815 708083756 /nfs/dbraw/zinc/08/37/56/708083756.db2.gz AYZDCHBPDGQTCQ-QYZOEREBSA-N 2 0 349.519 1.964 20 0 EDADRP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC001005179932 708122780 /nfs/dbraw/zinc/12/27/80/708122780.db2.gz PBZRLFMLUZBJPB-QGZVFWFLSA-N 2 0 346.475 1.607 20 0 EDADRP C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001794876 708309676 /nfs/dbraw/zinc/30/96/76/708309676.db2.gz KYJXUPUPJJEQSZ-HNNXBMFYSA-N 2 0 345.491 1.708 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033654379 708422133 /nfs/dbraw/zinc/42/21/33/708422133.db2.gz ATANYXACTYKGKH-ROUUACIJSA-N 2 0 337.508 1.678 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033663964 708444811 /nfs/dbraw/zinc/44/48/11/708444811.db2.gz AVKCAAJJDYRQHT-MSOLQXFVSA-N 2 0 349.450 1.488 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686711 708501773 /nfs/dbraw/zinc/50/17/73/708501773.db2.gz SDCHSJKFYHDTIT-NVXWUHKLSA-N 2 0 333.476 1.929 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccnc2)CC1)C12CC[NH+](CC1)C2 ZINC001002042783 708533188 /nfs/dbraw/zinc/53/31/88/708533188.db2.gz JCXWIIVIEMLAGT-UHFFFAOYSA-N 2 0 328.460 1.506 20 0 EDADRP Cc1cnc([C@H](C)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002120617 708634204 /nfs/dbraw/zinc/63/42/04/708634204.db2.gz JSXPDTMPRMKKQL-GOEBONIOSA-N 2 0 334.464 1.824 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001002127645 708643580 /nfs/dbraw/zinc/64/35/80/708643580.db2.gz UKAVNYQNPFYMEE-HNNXBMFYSA-N 2 0 336.505 1.731 20 0 EDADRP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)OC ZINC001005400235 708887318 /nfs/dbraw/zinc/88/73/18/708887318.db2.gz ZUFOVRHMMAURHS-MSOLQXFVSA-N 2 0 337.508 1.676 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+](CCCO)C1 ZINC001033878293 708948296 /nfs/dbraw/zinc/94/82/96/708948296.db2.gz IYCBBJNWYCHOIO-INIZCTEOSA-N 2 0 330.432 1.562 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001033885975 708992895 /nfs/dbraw/zinc/99/28/95/708992895.db2.gz CKYLJJVCHHUBMJ-GDBMZVCRSA-N 2 0 330.432 1.906 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002474193 709008753 /nfs/dbraw/zinc/00/87/53/709008753.db2.gz ITSWHVYOBWEISE-SFHVURJKSA-N 2 0 347.507 1.947 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C[C@@H](C)OC)C1 ZINC001033897638 709017545 /nfs/dbraw/zinc/01/75/45/709017545.db2.gz MUXHWSREJZOQFO-PBHICJAKSA-N 2 0 330.432 1.906 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001033897642 709017599 /nfs/dbraw/zinc/01/75/99/709017599.db2.gz MUXHWSREJZOQFO-YOEHRIQHSA-N 2 0 330.432 1.906 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906360 709036330 /nfs/dbraw/zinc/03/63/30/709036330.db2.gz OCWBLVWAQBQGDN-NNVNDSJASA-N 2 0 349.519 1.819 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032826436 709092853 /nfs/dbraw/zinc/09/28/53/709092853.db2.gz NXUIMWDDMFPMEV-GBESFXJTSA-N 2 0 345.487 1.783 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033983248 709192269 /nfs/dbraw/zinc/19/22/69/709192269.db2.gz NWNLLWQIBRZPKS-INIZCTEOSA-N 2 0 339.459 1.341 20 0 EDADRP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034008731 709219358 /nfs/dbraw/zinc/21/93/58/709219358.db2.gz BRYGHUNMLAGSRU-GOEBONIOSA-N 2 0 343.431 1.185 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001005496963 709231144 /nfs/dbraw/zinc/23/11/44/709231144.db2.gz KAEJZVTVAQBUKY-JKSUJKDBSA-N 2 0 325.497 1.268 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001005503922 709328759 /nfs/dbraw/zinc/32/87/59/709328759.db2.gz LLZNPWOGZRKPJY-KRWDZBQOSA-N 2 0 325.497 1.555 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002830724 709441869 /nfs/dbraw/zinc/44/18/69/709441869.db2.gz BWNOEGFIRRIOPY-MRXNPFEDSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831498 709442422 /nfs/dbraw/zinc/44/24/22/709442422.db2.gz GBLGVUMMUAMNGY-LJQANCHMSA-N 2 0 342.487 1.812 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001002859924 709468379 /nfs/dbraw/zinc/46/83/79/709468379.db2.gz VDHTZWPGCBXZPQ-ZWKOTPCHSA-N 2 0 347.507 1.274 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)cn1 ZINC001034435958 710009403 /nfs/dbraw/zinc/00/94/03/710009403.db2.gz NGSQGJCTJQGASW-GOSISDBHSA-N 2 0 347.507 1.829 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003158266 710066287 /nfs/dbraw/zinc/06/62/87/710066287.db2.gz FSTJFFUSWGWXHE-MRXNPFEDSA-N 2 0 349.479 1.376 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034488645 710137456 /nfs/dbraw/zinc/13/74/56/710137456.db2.gz WZLFCMHMUSWJSH-KRWDZBQOSA-N 2 0 345.491 1.029 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229433 710150529 /nfs/dbraw/zinc/15/05/29/710150529.db2.gz GLMXJYNOOYICJN-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)C12CCC[NH+]1CCC2 ZINC001003242762 710165913 /nfs/dbraw/zinc/16/59/13/710165913.db2.gz ICLNKAPWJHBOBB-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1ccncc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034523863 710172024 /nfs/dbraw/zinc/17/20/24/710172024.db2.gz CELWXKAVVCFDJF-SJLPKXTDSA-N 2 0 330.476 1.812 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccns3)C2)C1 ZINC001034526088 710177719 /nfs/dbraw/zinc/17/77/19/710177719.db2.gz UAQISDRPZKQIDI-GJZGRUSLSA-N 2 0 336.505 1.608 20 0 EDADRP Cc1ncsc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526339 710178208 /nfs/dbraw/zinc/17/82/08/710178208.db2.gz XGPJAODCLQAYPQ-LSDHHAIUSA-N 2 0 336.505 1.874 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034528267 710182260 /nfs/dbraw/zinc/18/22/60/710182260.db2.gz LFUHUTWMIIFJNM-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535185 710206887 /nfs/dbraw/zinc/20/68/87/710206887.db2.gz CJHNXOMGYJLWMJ-YJBOKZPZSA-N 2 0 333.476 1.713 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034537884 710210274 /nfs/dbraw/zinc/21/02/74/710210274.db2.gz GMABVQXYAIQDOO-ROUUACIJSA-N 2 0 347.507 1.728 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003482025 710370639 /nfs/dbraw/zinc/37/06/39/710370639.db2.gz ROWOGESYZTWOTA-KRWDZBQOSA-N 2 0 347.507 1.586 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003545159 710412827 /nfs/dbraw/zinc/41/28/27/710412827.db2.gz ZXTJSAZVSNKTLE-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003634389 710461856 /nfs/dbraw/zinc/46/18/56/710461856.db2.gz KAYDEDXOICFHKQ-BEFAXECRSA-N 2 0 345.487 1.457 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CCC2 ZINC000922240381 710496465 /nfs/dbraw/zinc/49/64/65/710496465.db2.gz OMWBQKDYSHWMPN-QGZVFWFLSA-N 2 0 340.471 1.765 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735975 710517463 /nfs/dbraw/zinc/51/74/63/710517463.db2.gz OIEAQFGWPRPSHE-CVEARBPZSA-N 2 0 325.497 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC001034659179 710588680 /nfs/dbraw/zinc/58/86/80/710588680.db2.gz OIUYXUJOVZQQOS-JYJNAYRXSA-N 2 0 348.495 1.505 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034659681 710589021 /nfs/dbraw/zinc/58/90/21/710589021.db2.gz XSYCWLTUYDHOCK-BQFCYCMXSA-N 2 0 347.507 1.812 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001034674318 710623017 /nfs/dbraw/zinc/62/30/17/710623017.db2.gz MSFQVIWGPDVMBL-BRWVUGGUSA-N 2 0 333.480 1.421 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1)C12CCC[NH+]1CCC2 ZINC001034682444 710670758 /nfs/dbraw/zinc/67/07/58/710670758.db2.gz NRGNUFBTTRKMGR-HDJSIYSDSA-N 2 0 349.504 1.684 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1 ZINC001005641060 710801991 /nfs/dbraw/zinc/80/19/91/710801991.db2.gz WOGROLKKCVSDDM-DOTOQJQBSA-N 2 0 325.497 1.410 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncnn3C)CC2)CC[N@@H+]1C ZINC001034715388 710852209 /nfs/dbraw/zinc/85/22/09/710852209.db2.gz PLKGADWCCWSOIB-VGWMRTNUSA-N 2 0 348.495 1.062 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005664316 710897309 /nfs/dbraw/zinc/89/73/09/710897309.db2.gz KTYYGZKTGZSLEW-OAHLLOKOSA-N 2 0 342.443 1.907 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC001034734833 710913688 /nfs/dbraw/zinc/91/36/88/710913688.db2.gz AFLVOYTWRSHWRG-QEJZJMRPSA-N 2 0 334.468 1.114 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034734772 710918096 /nfs/dbraw/zinc/91/80/96/710918096.db2.gz YDWKOGAQOIIDML-QEJZJMRPSA-N 2 0 335.452 1.237 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738821 710931447 /nfs/dbraw/zinc/93/14/47/710931447.db2.gz VQQQFOWWMIQCDH-DTZQCDIJSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034737481 710949705 /nfs/dbraw/zinc/94/97/05/710949705.db2.gz JQMVQLLTRKDGNF-GFOCRRMGSA-N 2 0 348.466 1.935 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034738138 710952562 /nfs/dbraw/zinc/95/25/62/710952562.db2.gz QIFWOWXZFQXYSP-HJWJTTGWSA-N 2 0 333.480 1.135 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034775852 711050284 /nfs/dbraw/zinc/05/02/84/711050284.db2.gz KVHBJIZRMDQTAV-ULQDDVLXSA-N 2 0 347.507 1.321 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001003939547 711055940 /nfs/dbraw/zinc/05/59/40/711055940.db2.gz UZGBADIPWRISMK-HNNXBMFYSA-N 2 0 337.508 1.724 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001034787121 711092693 /nfs/dbraw/zinc/09/26/93/711092693.db2.gz YDJZEXCHEMYKPA-BXWFABGCSA-N 2 0 345.491 1.423 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034796006 711115750 /nfs/dbraw/zinc/11/57/50/711115750.db2.gz BDPVPVSXQIGOPP-QBPKDAKJSA-N 2 0 345.491 1.866 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1csnn1 ZINC001034793536 711123925 /nfs/dbraw/zinc/12/39/25/711123925.db2.gz HIEUIPWBVQBJIX-IHRRRGAJSA-N 2 0 337.493 1.712 20 0 EDADRP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)cc1 ZINC001034823090 711224859 /nfs/dbraw/zinc/22/48/59/711224859.db2.gz RDZMETWYXAVHPT-HFCFLWKCSA-N 2 0 329.444 1.276 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001034955029 711421552 /nfs/dbraw/zinc/42/15/52/711421552.db2.gz YGNQJDNGRCEOBY-HZPDHXFCSA-N 2 0 334.464 1.938 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034940444 711444035 /nfs/dbraw/zinc/44/40/35/711444035.db2.gz DUTQGCWDLKVCBK-MSOLQXFVSA-N 2 0 335.492 1.335 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]2C[NH2+]CC2CC2)CC1 ZINC001034940862 711444866 /nfs/dbraw/zinc/44/48/66/711444866.db2.gz ZKSAZWWKTNGHOA-QRVBRYPASA-N 2 0 349.519 1.724 20 0 EDADRP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386875 711448339 /nfs/dbraw/zinc/44/83/39/711448339.db2.gz JUGUDXAXBCBCLL-FTEYMNFISA-N 2 0 345.487 1.616 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)nc3)C2)[C@@H]1C(C)C ZINC000922392621 711457800 /nfs/dbraw/zinc/45/78/00/711457800.db2.gz MSUKFERMOUOFIU-VXIBKDFQSA-N 2 0 347.507 1.502 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001004142211 711541971 /nfs/dbraw/zinc/54/19/71/711541971.db2.gz IFYXNNWPJNQHCT-QGZVFWFLSA-N 2 0 331.460 1.211 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C1 ZINC001004143754 711544311 /nfs/dbraw/zinc/54/43/11/711544311.db2.gz ORXIGJZYWPMJLV-IEBWSBKVSA-N 2 0 345.487 1.122 20 0 EDADRP Cc1ncsc1CC[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004146173 711556227 /nfs/dbraw/zinc/55/62/27/711556227.db2.gz QJCIUQAOFHTWHW-UHFFFAOYSA-N 2 0 336.505 1.670 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000922501172 711626973 /nfs/dbraw/zinc/62/69/73/711626973.db2.gz IABILSBSHKCBST-UHFFFAOYSA-N 2 0 349.479 1.306 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123872 711853237 /nfs/dbraw/zinc/85/32/37/711853237.db2.gz SXRFURJYHUIAID-TZMCWYRMSA-N 2 0 325.478 1.337 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000369048551 282131914 /nfs/dbraw/zinc/13/19/14/282131914.db2.gz WEAMGSVRNUVEMC-BZSNNMDCSA-N 2 0 346.475 1.452 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377530824 290631419 /nfs/dbraw/zinc/63/14/19/290631419.db2.gz REUBMUVTWAGHRM-WNRNVDISSA-N 2 0 336.524 1.392 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1)c1ccccc1 ZINC000184946152 282170708 /nfs/dbraw/zinc/17/07/08/282170708.db2.gz KATGDICJKGOTPG-LPHOPBHVSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CCC23CCOCC3)CC1 ZINC000558622859 306241122 /nfs/dbraw/zinc/24/11/22/306241122.db2.gz GAMSITKLDHSNFM-KRWDZBQOSA-N 2 0 330.476 1.882 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000354004006 282213291 /nfs/dbraw/zinc/21/32/91/282213291.db2.gz WMSZMZZVVKTSOB-ZJPYXAASSA-N 2 0 335.492 1.571 20 0 EDADRP Cn1nnnc1-c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433145422 305101806 /nfs/dbraw/zinc/10/18/06/305101806.db2.gz HDRDVUPYNPXHRE-UHFFFAOYSA-N 2 0 343.435 1.019 20 0 EDADRP Cn1nc2c(cc1=O)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC2 ZINC000093756054 539523221 /nfs/dbraw/zinc/52/32/21/539523221.db2.gz VHNHPOPHODDYLE-UHFFFAOYSA-N 2 0 342.443 1.279 20 0 EDADRP COC1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000178689161 232379096 /nfs/dbraw/zinc/37/90/96/232379096.db2.gz BHOGKKRMVIDZTD-UHFFFAOYSA-N 2 0 345.487 1.578 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000412394467 304005185 /nfs/dbraw/zinc/00/51/85/304005185.db2.gz QNVNLKYAGVHKIZ-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)N2CCCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000333826307 539654341 /nfs/dbraw/zinc/65/43/41/539654341.db2.gz RYTOJVOSGJAXON-ZMSDIMECSA-N 2 0 348.495 1.326 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339241099 539701636 /nfs/dbraw/zinc/70/16/36/539701636.db2.gz VWTNLCCVMSDWCR-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563210576 306323860 /nfs/dbraw/zinc/32/38/60/306323860.db2.gz BOIBHUJCBHGSJI-MAUKXSAKSA-N 2 0 330.476 1.016 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000491325133 540042279 /nfs/dbraw/zinc/04/22/79/540042279.db2.gz ZPENRJKHAKPBPH-CQSZACIVSA-N 2 0 336.484 1.424 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000342765989 291049218 /nfs/dbraw/zinc/04/92/18/291049218.db2.gz RJDAGEDPYCWDGV-XHSDSOJGSA-N 2 0 339.480 1.380 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000563331660 306327640 /nfs/dbraw/zinc/32/76/40/306327640.db2.gz KIGAQDRESDNULC-RCCFBDPRSA-N 2 0 346.475 1.015 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187029436 540152929 /nfs/dbraw/zinc/15/29/29/540152929.db2.gz IZIRBYYCCSEGAM-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000360163332 283164818 /nfs/dbraw/zinc/16/48/18/283164818.db2.gz OSFSIQRNCZSNEV-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000070395655 138203077 /nfs/dbraw/zinc/20/30/77/138203077.db2.gz YOQCBHADUXSOGM-UHFFFAOYSA-N 2 0 327.270 1.571 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000091066622 138281583 /nfs/dbraw/zinc/28/15/83/138281583.db2.gz PCCGMESFPRVKSL-UHFFFAOYSA-N 2 0 335.496 1.480 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000132463501 138377170 /nfs/dbraw/zinc/37/71/70/138377170.db2.gz NBVHIKASXLDEPC-SFHVURJKSA-N 2 0 331.460 1.345 20 0 EDADRP O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000564074262 306354975 /nfs/dbraw/zinc/35/49/75/306354975.db2.gz NTBYOCKDXPGEGK-SZVBFZGTSA-N 2 0 331.460 1.289 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCOc3cc(F)ccc32)CC1 ZINC000564076973 306355067 /nfs/dbraw/zinc/35/50/67/306355067.db2.gz VQAGOSPARBLRSL-DOTOQJQBSA-N 2 0 337.439 1.237 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000169107319 138653549 /nfs/dbraw/zinc/65/35/49/138653549.db2.gz FKRLEFDUNWSMIA-CVEARBPZSA-N 2 0 337.508 1.629 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000413833395 304079478 /nfs/dbraw/zinc/07/94/78/304079478.db2.gz IRRKTMNTAKFFBS-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422842501 299286615 /nfs/dbraw/zinc/28/66/15/299286615.db2.gz YLDTVJIIQWCYFG-DOTOQJQBSA-N 3 0 338.540 1.733 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000175931444 237324913 /nfs/dbraw/zinc/32/49/13/237324913.db2.gz KTYHADCYKSKRHA-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)ccn1 ZINC000183244536 138782780 /nfs/dbraw/zinc/78/27/80/138782780.db2.gz JNNWTFRBTXFJEF-UHFFFAOYSA-N 2 0 348.491 1.872 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000414858873 283529214 /nfs/dbraw/zinc/52/92/14/283529214.db2.gz SSSVCIIOAHZKKH-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000565256120 306379707 /nfs/dbraw/zinc/37/97/07/306379707.db2.gz WOCFEORKXALDLU-MPGHIAIKSA-N 2 0 346.475 1.457 20 0 EDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414195183 304105275 /nfs/dbraw/zinc/10/52/75/304105275.db2.gz NUKIZCRRHCDYKH-ZWKOTPCHSA-N 2 0 339.524 1.578 20 0 EDADRP CC[N@H+](CC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)C1CC1 ZINC000136038824 201130876 /nfs/dbraw/zinc/13/08/76/201130876.db2.gz UEGGJKWZCBWXMR-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)cc1 ZINC000566019620 306396881 /nfs/dbraw/zinc/39/68/81/306396881.db2.gz NRXCMRTWWFZXTJ-GOSISDBHSA-N 2 0 333.476 1.367 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000566209253 306403870 /nfs/dbraw/zinc/40/38/70/306403870.db2.gz RARJMTNACHPWND-CYBMUJFWSA-N 2 0 331.416 1.684 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)[NH2+]C2CC2)c1 ZINC000566288350 306407225 /nfs/dbraw/zinc/40/72/25/306407225.db2.gz DCNRNUODKYWUIA-CQSZACIVSA-N 2 0 346.475 1.837 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694250 304128337 /nfs/dbraw/zinc/12/83/37/304128337.db2.gz MZNDCUUVORBDIL-MJGOQNOKSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414697945 304128924 /nfs/dbraw/zinc/12/89/24/304128924.db2.gz WYQOTXZXDPUQMZ-HNNXBMFYSA-N 2 0 346.475 1.712 20 0 EDADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698231 304129418 /nfs/dbraw/zinc/12/94/18/304129418.db2.gz ITQOYVORLYPDIY-HKUYNNGSSA-N 2 0 344.503 1.785 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000414699518 304129276 /nfs/dbraw/zinc/12/92/76/304129276.db2.gz INRZOKYIPHIIKJ-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414701196 304129719 /nfs/dbraw/zinc/12/97/19/304129719.db2.gz UFSXSWVLBCMBHC-FUHWJXTLSA-N 2 0 336.524 1.251 20 0 EDADRP CCOC(=O)C1([N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000414700833 304129942 /nfs/dbraw/zinc/12/99/42/304129942.db2.gz GLAUQDOMZFNASL-OAHLLOKOSA-N 2 0 339.480 1.382 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)C1 ZINC000414712685 304131802 /nfs/dbraw/zinc/13/18/02/304131802.db2.gz NVWMXZVHTLOCOD-MJGOQNOKSA-N 2 0 345.487 1.457 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000414725747 304133411 /nfs/dbraw/zinc/13/34/11/304133411.db2.gz JELBJGCPZVDLKQ-YJBOKZPZSA-N 2 0 345.491 1.996 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000414749799 304137058 /nfs/dbraw/zinc/13/70/58/304137058.db2.gz WPGIGYYZMZLZDL-GJZGRUSLSA-N 2 0 346.475 1.581 20 0 EDADRP COc1cc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000414760116 304137729 /nfs/dbraw/zinc/13/77/29/304137729.db2.gz XVIXJMHEJGWXPG-UONOGXRCSA-N 2 0 335.448 1.962 20 0 EDADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c(C)c1 ZINC000414782328 304140241 /nfs/dbraw/zinc/14/02/41/304140241.db2.gz OPFQRQZFPOCNOA-KRWDZBQOSA-N 2 0 332.492 1.905 20 0 EDADRP COc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc(OC)c1O ZINC000414783727 304140396 /nfs/dbraw/zinc/14/03/96/304140396.db2.gz ZWMRDRCSYNAQLH-KDOFPFPSSA-N 2 0 336.432 1.738 20 0 EDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C12CCC2 ZINC000414998295 304149816 /nfs/dbraw/zinc/14/98/16/304149816.db2.gz ZMJZUOVVYYECCM-AAVRWANBSA-N 2 0 335.414 1.616 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036773 304153435 /nfs/dbraw/zinc/15/34/35/304153435.db2.gz KEYZXWFIGCQNRY-YRPNKDGESA-N 2 0 329.488 1.865 20 0 EDADRP COc1cccc(C[C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)n1 ZINC000415054524 304155246 /nfs/dbraw/zinc/15/52/46/304155246.db2.gz NQYIXDPHSAVTCQ-HJOIGYKYSA-N 2 0 332.492 1.827 20 0 EDADRP CC(=O)Nc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415060451 304155581 /nfs/dbraw/zinc/15/55/81/304155581.db2.gz WUSDRCXPGNFRTO-UHFFFAOYSA-N 2 0 330.476 1.951 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415076923 304157905 /nfs/dbraw/zinc/15/79/05/304157905.db2.gz GZKHOFQNHCANBN-LPHOPBHVSA-N 2 0 344.503 1.975 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000415077315 304158034 /nfs/dbraw/zinc/15/80/34/304158034.db2.gz HKLUKZAKSFVPQF-UHFFFAOYSA-N 2 0 334.464 1.391 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000415092776 304159145 /nfs/dbraw/zinc/15/91/45/304159145.db2.gz BHJNXOIETPUAIQ-LTFXXXRZSA-N 2 0 349.498 1.843 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104255 304160511 /nfs/dbraw/zinc/16/05/11/304160511.db2.gz KOJKKMYUGITERM-PBHICJAKSA-N 2 0 341.459 1.897 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000424190038 296166446 /nfs/dbraw/zinc/16/64/46/296166446.db2.gz LNDTUAGSORBSDT-RRFJBIMHSA-N 2 0 331.464 1.338 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000415119857 304161338 /nfs/dbraw/zinc/16/13/38/304161338.db2.gz XYDCAYQGYIJORJ-UHFFFAOYSA-N 2 0 345.487 1.818 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000415118302 304161380 /nfs/dbraw/zinc/16/13/80/304161380.db2.gz XXPYMKRLRBWXNJ-QGZVFWFLSA-N 2 0 344.459 1.431 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@H](C)O1 ZINC000194829839 139001009 /nfs/dbraw/zinc/00/10/09/139001009.db2.gz GTGRLLIOPMFVOX-BETUJISGSA-N 2 0 340.493 1.264 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000105113753 204134731 /nfs/dbraw/zinc/13/47/31/204134731.db2.gz QAGYTDDHKRGIEK-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP CCN1C[C@@H](C)N(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415144017 304164236 /nfs/dbraw/zinc/16/42/36/304164236.db2.gz CSBCPOWYTYLGNG-ZIAGYGMSSA-N 2 0 332.448 1.286 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415161062 304168163 /nfs/dbraw/zinc/16/81/63/304168163.db2.gz MDFYDQHRIVZIMB-SJORKVTESA-N 2 0 344.459 1.430 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000567382669 306450032 /nfs/dbraw/zinc/45/00/32/306450032.db2.gz RERMIUMNTCFJCX-ZNMIVQPWSA-N 2 0 325.840 1.436 20 0 EDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496204127 284341180 /nfs/dbraw/zinc/34/11/80/284341180.db2.gz DOKOFCVETBGDKJ-LSDHHAIUSA-N 2 0 343.512 1.924 20 0 EDADRP COc1cc(CNC(=O)C2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000237336022 139048373 /nfs/dbraw/zinc/04/83/73/139048373.db2.gz FGEUXHMIHVESPA-UHFFFAOYSA-N 2 0 335.448 1.251 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000415179312 304171597 /nfs/dbraw/zinc/17/15/97/304171597.db2.gz LGBRVXULJMBJFC-OAHLLOKOSA-N 2 0 332.448 1.287 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000415180276 304171860 /nfs/dbraw/zinc/17/18/60/304171860.db2.gz NCQWQUSVGOQXEE-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000133349285 205364862 /nfs/dbraw/zinc/36/48/62/205364862.db2.gz FAUUSFBIFVLPRL-QGZVFWFLSA-N 2 0 334.464 1.693 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000237567606 139054435 /nfs/dbraw/zinc/05/44/35/139054435.db2.gz CASKOISUJAVCJQ-IAGOWNOFSA-N 2 0 330.476 1.408 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000237719279 139058496 /nfs/dbraw/zinc/05/84/96/139058496.db2.gz QWBIIRGHSFFOLN-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H](C[NH3+])C3)CC2)c1 ZINC000237718374 139058593 /nfs/dbraw/zinc/05/85/93/139058593.db2.gz VLBWGEUOWVYPJN-SFHVURJKSA-N 2 0 344.503 1.704 20 0 EDADRP [NH3+][C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000237847128 139061711 /nfs/dbraw/zinc/06/17/11/139061711.db2.gz GXXPRWQKKBODCD-MAUKXSAKSA-N 2 0 331.460 1.694 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000237915653 139063803 /nfs/dbraw/zinc/06/38/03/139063803.db2.gz BSUUPFRJABLFBM-LSDHHAIUSA-N 2 0 325.522 1.982 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237931044 139064125 /nfs/dbraw/zinc/06/41/25/139064125.db2.gz FTQHLKNLRJKMEO-RBUKOAKNSA-N 2 0 345.487 1.926 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238018731 139066644 /nfs/dbraw/zinc/06/66/44/139066644.db2.gz IWYLSTSOTAKPEP-UHFFFAOYSA-N 2 0 344.503 1.705 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000111841999 220204541 /nfs/dbraw/zinc/20/45/41/220204541.db2.gz USZSBYMBTTYGOV-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415232002 304177089 /nfs/dbraw/zinc/17/70/89/304177089.db2.gz PUDGDJXJOYKPSM-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1 ZINC000245882486 139088473 /nfs/dbraw/zinc/08/84/73/139088473.db2.gz IDMKECQWEPNACV-ZZJWQFMZSA-N 2 0 348.535 1.630 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000157921539 206164240 /nfs/dbraw/zinc/16/42/40/206164240.db2.gz MKEYMNNXAFMUSW-IEBWSBKVSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415370780 304206719 /nfs/dbraw/zinc/20/67/19/304206719.db2.gz FHYQMYLTNGHDKQ-GJZGRUSLSA-N 2 0 346.475 1.711 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+](C)CC)[C@H](C)C1 ZINC000247218330 139140843 /nfs/dbraw/zinc/14/08/43/139140843.db2.gz MWHJXNVVIJWZKX-CVEARBPZSA-N 2 0 328.501 1.374 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000247461988 139149277 /nfs/dbraw/zinc/14/92/77/139149277.db2.gz BHFZRIMMHPEIDC-CEXWTWQISA-N 2 0 343.471 1.630 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249110889 139185969 /nfs/dbraw/zinc/18/59/69/139185969.db2.gz MTOTVVPALVVGSM-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000423358462 284754343 /nfs/dbraw/zinc/75/43/43/284754343.db2.gz UFPLYHJYCKWVDE-QZTJIDSGSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249303163 139190938 /nfs/dbraw/zinc/19/09/38/139190938.db2.gz FHPOUSXNCPHWQA-BHIYHBOVSA-N 2 0 345.487 1.470 20 0 EDADRP COc1cc(CN2CCC([NH3+])CC2)cc(Cl)c1OCC(N)=O ZINC000261644894 139213951 /nfs/dbraw/zinc/21/39/51/139213951.db2.gz JCNWRWLBBVDTDD-UHFFFAOYSA-N 2 0 327.812 1.136 20 0 EDADRP Cc1ccc(-c2cc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)on2)cc1 ZINC000261650386 139214474 /nfs/dbraw/zinc/21/44/74/139214474.db2.gz JPMAZMWTVIBDDM-MRXNPFEDSA-N 2 0 342.443 1.937 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000261771035 139224627 /nfs/dbraw/zinc/22/46/27/139224627.db2.gz IRUWZVCDGJMVGZ-INIZCTEOSA-N 2 0 345.491 1.229 20 0 EDADRP C[NH2+]CCC1CCN(CC(=O)N2CC(=O)Nc3ccccc32)CC1 ZINC000261981368 139241509 /nfs/dbraw/zinc/24/15/09/139241509.db2.gz IAONJEDGHYPUJZ-UHFFFAOYSA-N 2 0 330.432 1.293 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261966107 139240490 /nfs/dbraw/zinc/24/04/90/139240490.db2.gz QBBOVHFGAAASAQ-OTWHNJEPSA-N 2 0 338.540 1.007 20 0 EDADRP Cc1nc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)sc1C ZINC000262034125 139245413 /nfs/dbraw/zinc/24/54/13/139245413.db2.gz HBRNFUYJJSMDJM-OAHLLOKOSA-N 2 0 336.505 1.761 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000262028146 139244954 /nfs/dbraw/zinc/24/49/54/139244954.db2.gz PFCOYANCGZFINH-KRWDZBQOSA-N 2 0 325.497 1.615 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)c1 ZINC000414871172 250871622 /nfs/dbraw/zinc/87/16/22/250871622.db2.gz CYTSNMNVLRTNKT-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000262110711 139251650 /nfs/dbraw/zinc/25/16/50/139251650.db2.gz VPQJENWHFLRZMB-LJQANCHMSA-N 2 0 330.476 1.639 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128275 139253247 /nfs/dbraw/zinc/25/32/47/139253247.db2.gz CVCMPDKVMKUNJS-MBOZVWFJSA-N 2 0 349.519 1.996 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC3(C2)CC[NH2+]CC3)c1 ZINC000415551739 251005941 /nfs/dbraw/zinc/00/59/41/251005941.db2.gz LTILPYLFZUTVRM-UHFFFAOYSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250146 139263600 /nfs/dbraw/zinc/26/36/00/139263600.db2.gz LOAMENCYCWWTDZ-DOTOQJQBSA-N 2 0 331.460 1.694 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc21 ZINC000262306903 139268577 /nfs/dbraw/zinc/26/85/77/139268577.db2.gz CHFXXENTCLBVQG-MRXNPFEDSA-N 2 0 330.432 1.520 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000416831117 251113025 /nfs/dbraw/zinc/11/30/25/251113025.db2.gz SBMWKIMDDJFQRV-KBPBESRZSA-N 2 0 336.436 1.049 20 0 EDADRP NCc1nc(CN2CCC(CN3CCc4ccccc43)CC2)no1 ZINC000262297322 139267732 /nfs/dbraw/zinc/26/77/32/139267732.db2.gz WVLDOXMUJFBBHC-UHFFFAOYSA-N 2 0 327.432 1.803 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416990011 251119726 /nfs/dbraw/zinc/11/97/26/251119726.db2.gz OUVZNASGVKKOAC-UHFFFAOYSA-N 2 0 348.495 1.150 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000417002804 251127227 /nfs/dbraw/zinc/12/72/27/251127227.db2.gz GSZLHLARTZMWEP-OTWHNJEPSA-N 2 0 344.503 1.800 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000416999744 251124891 /nfs/dbraw/zinc/12/48/91/251124891.db2.gz YBRAOAOMMHEIMO-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000417318433 251157135 /nfs/dbraw/zinc/15/71/35/251157135.db2.gz YXRYDSFDIRKFGP-HRCADAONSA-N 2 0 334.464 1.913 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC000262341182 139271594 /nfs/dbraw/zinc/27/15/94/139271594.db2.gz GCXINPXOEABYKU-HOTGVXAUSA-N 2 0 345.487 1.648 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417552155 251187407 /nfs/dbraw/zinc/18/74/07/251187407.db2.gz CDUFBORICLWZGK-HZPDHXFCSA-N 2 0 326.485 1.319 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262371483 139273902 /nfs/dbraw/zinc/27/39/02/139273902.db2.gz LUQGLUMPBMICJO-HNNXBMFYSA-N 2 0 337.489 1.455 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417439405 251175055 /nfs/dbraw/zinc/17/50/55/251175055.db2.gz LMWBNTGOIXQBGB-GJZGRUSLSA-N 2 0 326.485 1.304 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)C[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000262386260 139275206 /nfs/dbraw/zinc/27/52/06/139275206.db2.gz NQRTYNDRAIRNKZ-RBUKOAKNSA-N 2 0 345.487 1.954 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000417681452 251226588 /nfs/dbraw/zinc/22/65/88/251226588.db2.gz JNWYYBUPXDGLKL-HOCLYGCPSA-N 2 0 326.485 1.160 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417761045 251259573 /nfs/dbraw/zinc/25/95/73/251259573.db2.gz YPJCGERZZHFMSL-HNNXBMFYSA-N 2 0 327.517 1.077 20 0 EDADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N[C@@H](C)CCC[NH3+] ZINC000417721381 251243512 /nfs/dbraw/zinc/24/35/12/251243512.db2.gz ACRBFNUDNXSURB-DLBZAZTESA-N 2 0 347.507 1.624 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCSC1 ZINC000417842801 251293998 /nfs/dbraw/zinc/29/39/98/251293998.db2.gz YMHZYAQNSNJEMU-ZOBUZTSGSA-N 2 0 340.537 1.455 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000417847061 251295311 /nfs/dbraw/zinc/29/53/11/251295311.db2.gz YYQCTVYNXGIZGT-HOCLYGCPSA-N 2 0 342.447 1.022 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000417802328 251276026 /nfs/dbraw/zinc/27/60/26/251276026.db2.gz DRWKAUHKBBJGJN-HZPDHXFCSA-N 2 0 340.512 1.563 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417816063 251280895 /nfs/dbraw/zinc/28/08/95/251280895.db2.gz BZKYFBJIIMECEF-XYJFISCASA-N 2 0 330.476 1.900 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000417871421 251306871 /nfs/dbraw/zinc/30/68/71/251306871.db2.gz JLHTXECVNGBUJS-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417992489 251319013 /nfs/dbraw/zinc/31/90/13/251319013.db2.gz MQHMGYVYHUKSIY-DLBZAZTESA-N 2 0 334.464 1.036 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000418109423 251324196 /nfs/dbraw/zinc/32/41/96/251324196.db2.gz CSOZWMODJRRWNP-OWCLPIDISA-N 2 0 326.485 1.304 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108180 251325177 /nfs/dbraw/zinc/32/51/77/251325177.db2.gz AOJGHPVTSQPPIS-HOTGVXAUSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417857409 251300548 /nfs/dbraw/zinc/30/05/48/251300548.db2.gz XWVPXIBNTPYLDM-CABCVRRESA-N 2 0 326.485 1.304 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000418427578 251368261 /nfs/dbraw/zinc/36/82/61/251368261.db2.gz OHKGNAKJBXIPES-HOTGVXAUSA-N 2 0 328.501 1.502 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262523708 139284272 /nfs/dbraw/zinc/28/42/72/139284272.db2.gz JQIQKZMKZORZLA-JKSUJKDBSA-N 2 0 348.491 1.259 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@@H]1[NH3+] ZINC000418162666 251349832 /nfs/dbraw/zinc/34/98/32/251349832.db2.gz GMEGWYKFSUXYAV-KDOFPFPSSA-N 2 0 346.475 1.648 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418194183 251353712 /nfs/dbraw/zinc/35/37/12/251353712.db2.gz OQIWKADTPXVUGF-OAHLLOKOSA-N 2 0 335.452 1.045 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCCN(Cc2csc(C)n2)CC1 ZINC000418305331 251358260 /nfs/dbraw/zinc/35/82/60/251358260.db2.gz HPDDMSWUCUNOBQ-UHFFFAOYSA-N 2 0 325.482 1.278 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H]1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000418709548 251391797 /nfs/dbraw/zinc/39/17/97/251391797.db2.gz URPSXNYYGNAJLG-NCOADZHNSA-N 2 0 340.512 1.787 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418532586 251377755 /nfs/dbraw/zinc/37/77/55/251377755.db2.gz XSTUQXHMLFNWPI-SFHVURJKSA-N 2 0 332.492 1.802 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418701806 251387903 /nfs/dbraw/zinc/38/79/03/251387903.db2.gz DEKZZNNSPUHOOO-SQNIBIBYSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418783126 251433655 /nfs/dbraw/zinc/43/36/55/251433655.db2.gz FFNLUKZJFMNSJY-FGTMMUONSA-N 2 0 334.508 1.892 20 0 EDADRP [NH3+]C1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000262651742 139293253 /nfs/dbraw/zinc/29/32/53/139293253.db2.gz RMHGCNFJELMWOK-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262788451 139303599 /nfs/dbraw/zinc/30/35/99/139303599.db2.gz NXPPZZSYKLRQBS-OAGGEKHMSA-N 2 0 331.464 1.506 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2[nH]nc3c2C[NH2+]CC3)o1 ZINC000262825472 139306222 /nfs/dbraw/zinc/30/62/22/139306222.db2.gz YCPWSDREXYZJKH-UHFFFAOYSA-N 2 0 331.420 1.161 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878334 252007508 /nfs/dbraw/zinc/00/75/08/252007508.db2.gz IZKPRUOHNBDTPP-IPMKNSEASA-N 3 0 343.519 1.844 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422860731 252002961 /nfs/dbraw/zinc/00/29/61/252002961.db2.gz MUAYEKYCJYPZNS-HOTGVXAUSA-N 2 0 325.497 1.629 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2)CC[NH2+]CC1 ZINC000423058332 252028804 /nfs/dbraw/zinc/02/88/04/252028804.db2.gz JKBGXPKMELBHRX-WBVHZDCISA-N 2 0 334.460 1.501 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)Cc2ccccc2C)CC[NH2+]CC1 ZINC000423058510 252031014 /nfs/dbraw/zinc/03/10/14/252031014.db2.gz JSKCOSYYYKWUPH-AEFFLSMTSA-N 2 0 348.487 1.809 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423063030 252031661 /nfs/dbraw/zinc/03/16/61/252031661.db2.gz OGALMCFQZAZACA-GJZGRUSLSA-N 2 0 336.480 1.738 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423063032 252031889 /nfs/dbraw/zinc/03/18/89/252031889.db2.gz OGALMCFQZAZACA-HUUCEWRRSA-N 2 0 336.480 1.738 20 0 EDADRP CCN(C(=O)C(=O)N(C)CC[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000423178151 252043138 /nfs/dbraw/zinc/04/31/38/252043138.db2.gz KJWILMDWWPJIEG-DOTOQJQBSA-N 2 0 346.475 1.088 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)Cc1ccccc1 ZINC000423319944 252046346 /nfs/dbraw/zinc/04/63/46/252046346.db2.gz FTQUQXOWNSFHKX-AZUAARDMSA-N 2 0 347.503 1.682 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000422906395 252018082 /nfs/dbraw/zinc/01/80/82/252018082.db2.gz UZVKKTZJSKZZKG-ROUUACIJSA-N 2 0 331.460 1.766 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000422906222 252018406 /nfs/dbraw/zinc/01/84/06/252018406.db2.gz UPMAGPWUWGXNPD-WMLDXEAASA-N 2 0 339.505 1.602 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423961507 252109244 /nfs/dbraw/zinc/10/92/44/252109244.db2.gz ZWLUUVKNPMUHMU-UHFFFAOYSA-N 2 0 344.503 1.694 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000424013352 252114106 /nfs/dbraw/zinc/11/41/06/252114106.db2.gz QXHYGIZJRAETQT-ZWKOTPCHSA-N 2 0 348.466 1.106 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262911986 139312388 /nfs/dbraw/zinc/31/23/88/139312388.db2.gz YQJVYYCQXNJPRA-ZDUSSCGKSA-N 2 0 332.448 1.450 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCO1 ZINC000424023971 252118041 /nfs/dbraw/zinc/11/80/41/252118041.db2.gz QJTBSOHOGAKTDJ-AEFFLSMTSA-N 2 0 349.450 1.614 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H](C)[NH3+] ZINC000423790324 252076041 /nfs/dbraw/zinc/07/60/41/252076041.db2.gz GKFWRHFGYHVIEN-SJLPKXTDSA-N 2 0 339.524 1.957 20 0 EDADRP [NH3+][C@@H](CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000424161034 252149389 /nfs/dbraw/zinc/14/93/89/252149389.db2.gz BDYPSGVORMKJMH-ROUUACIJSA-N 2 0 336.524 1.570 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424216195 252165813 /nfs/dbraw/zinc/16/58/13/252165813.db2.gz IBQKDTHELUBXLR-RCCFBDPRSA-N 2 0 345.512 1.814 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424130376 252133694 /nfs/dbraw/zinc/13/36/94/252133694.db2.gz HNPRDSRJDUAXIZ-HNNXBMFYSA-N 2 0 328.420 1.517 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424293735 252192662 /nfs/dbraw/zinc/19/26/62/252192662.db2.gz PUTMNJZWMGXPME-AWEZNQCLSA-N 2 0 349.479 1.055 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000424466179 252241016 /nfs/dbraw/zinc/24/10/16/252241016.db2.gz LAGXTZWZWZQHPZ-YOEHRIQHSA-N 2 0 344.459 1.477 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000424466176 252241264 /nfs/dbraw/zinc/24/12/64/252241264.db2.gz LAGXTZWZWZQHPZ-PBHICJAKSA-N 2 0 344.459 1.477 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000424442459 252232651 /nfs/dbraw/zinc/23/26/51/252232651.db2.gz VLOYFWXTMIXOTG-CQSZACIVSA-N 2 0 332.448 1.383 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)CCC3CC[NH2+]CC3)ccn2)CC1 ZINC000263041340 139319335 /nfs/dbraw/zinc/31/93/35/139319335.db2.gz SWEJGMQPODEQRO-UHFFFAOYSA-N 2 0 345.491 1.229 20 0 EDADRP COC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000167547126 532974399 /nfs/dbraw/zinc/97/43/99/532974399.db2.gz PDNMQRACNNEKBL-AEFFLSMTSA-N 2 0 345.487 1.924 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000415679037 304254918 /nfs/dbraw/zinc/25/49/18/304254918.db2.gz OVHGFMLSEQLZNZ-HIFRSBDPSA-N 2 0 332.448 1.252 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000112740370 220391705 /nfs/dbraw/zinc/39/17/05/220391705.db2.gz KNNBHKBKYZKCKG-GOSISDBHSA-N 2 0 332.492 1.897 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000263692339 139353313 /nfs/dbraw/zinc/35/33/13/139353313.db2.gz OYMPZOAIYBKLMF-OAHLLOKOSA-N 2 0 340.493 1.118 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000415758434 304266670 /nfs/dbraw/zinc/26/66/70/304266670.db2.gz OWVGPILQSPQLSK-INIZCTEOSA-N 2 0 344.463 1.829 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)nn1 ZINC000570330732 306537601 /nfs/dbraw/zinc/53/76/01/306537601.db2.gz JJKBQMMIIKSYNW-DLBZAZTESA-N 2 0 342.447 1.381 20 0 EDADRP Cc1ocnc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263776223 139359495 /nfs/dbraw/zinc/35/94/95/139359495.db2.gz GACJDBOEDJHUME-UHFFFAOYSA-N 2 0 329.404 1.320 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCOCC[NH+](C)C ZINC000471643165 255015506 /nfs/dbraw/zinc/01/55/06/255015506.db2.gz GVGJXILNIPYTCT-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494607754 255255731 /nfs/dbraw/zinc/25/57/31/255255731.db2.gz NAZBTCRPRDNZCS-GJZGRUSLSA-N 2 0 329.485 1.942 20 0 EDADRP CCC(CC)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494718192 255259750 /nfs/dbraw/zinc/25/97/50/255259750.db2.gz NKHVAEBYBNBASY-IRXDYDNUSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000496130392 255356511 /nfs/dbraw/zinc/35/65/11/255356511.db2.gz SXWWROCTJMJGRI-ZIAGYGMSSA-N 2 0 341.500 1.745 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000353875389 285335637 /nfs/dbraw/zinc/33/56/37/285335637.db2.gz VZRIYEAKSCRXFV-QZTJIDSGSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000415908960 304284950 /nfs/dbraw/zinc/28/49/50/304284950.db2.gz FGQMVBXWBXNSTQ-MRXNPFEDSA-N 2 0 334.464 1.981 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000415934117 304286175 /nfs/dbraw/zinc/28/61/75/304286175.db2.gz QYXMKYBLUZSSDV-LSDHHAIUSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000571400922 306564419 /nfs/dbraw/zinc/56/44/19/306564419.db2.gz FSOLJRAURIQKDT-IUODEOHRSA-N 2 0 325.403 1.853 20 0 EDADRP COC(=O)[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+](C)C1 ZINC000416242717 304300003 /nfs/dbraw/zinc/30/00/03/304300003.db2.gz ADASPESLZWHWSN-IRXDYDNUSA-N 2 0 347.459 1.243 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000270939529 140203617 /nfs/dbraw/zinc/20/36/17/140203617.db2.gz ZQCNTOIOFVHAQH-UHFFFAOYSA-N 2 0 347.503 1.961 20 0 EDADRP Cc1ccn2ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1 ZINC000270981243 140212726 /nfs/dbraw/zinc/21/27/26/140212726.db2.gz CICNKRWRRFKIOH-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271806895 140353349 /nfs/dbraw/zinc/35/33/49/140353349.db2.gz YJHQGSUDPVZBDA-DZGCQCFKSA-N 2 0 343.493 1.341 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000332405904 141176694 /nfs/dbraw/zinc/17/66/94/141176694.db2.gz PDOBLFQVTYNJSI-LLLHUVSDSA-N 2 0 338.496 1.276 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000332548400 141200912 /nfs/dbraw/zinc/20/09/12/141200912.db2.gz OGCYFIBMUCHAEZ-DXEWXGHRSA-N 2 0 334.439 1.792 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@H]1[NH3+] ZINC000333125501 141268172 /nfs/dbraw/zinc/26/81/72/141268172.db2.gz AZYTUHNIJQFYBV-HUUCEWRRSA-N 2 0 340.537 1.727 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C[C@H]12 ZINC000333135601 141269954 /nfs/dbraw/zinc/26/99/54/141269954.db2.gz BOAPXYHACXKSBV-JRPIUXAOSA-N 2 0 332.492 1.519 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000333160225 141273761 /nfs/dbraw/zinc/27/37/61/141273761.db2.gz GIZOSTFAZPMJCG-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000333269947 141290552 /nfs/dbraw/zinc/29/05/52/141290552.db2.gz KHFGPOLUOGVWMP-IXDOHACOSA-N 2 0 343.537 1.558 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2C1 ZINC000333312111 141297393 /nfs/dbraw/zinc/29/73/93/141297393.db2.gz LULRBVLBYSHGCK-DOTOQJQBSA-N 2 0 343.475 1.990 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000333349020 141303400 /nfs/dbraw/zinc/30/34/00/141303400.db2.gz RDXXOQNOGUPCGD-KBPBESRZSA-N 2 0 332.448 1.251 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333682156 141356375 /nfs/dbraw/zinc/35/63/75/141356375.db2.gz ABDDFGWLSYEISW-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000333870061 141398317 /nfs/dbraw/zinc/39/83/17/141398317.db2.gz ULSJBZDTFBQCEV-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c(C)c2)CC1 ZINC000336878910 141474000 /nfs/dbraw/zinc/47/40/00/141474000.db2.gz JSDHFRJUYROVNU-HNNXBMFYSA-N 2 0 330.476 1.931 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000340374841 142365257 /nfs/dbraw/zinc/36/52/57/142365257.db2.gz POTHDKWNBBFRAD-PKOBYXMFSA-N 2 0 330.476 1.186 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000341044775 142552064 /nfs/dbraw/zinc/55/20/64/142552064.db2.gz HHMWNBCEYZPUNK-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343766711 142886397 /nfs/dbraw/zinc/88/63/97/142886397.db2.gz KKMHVEWGPTYELU-DQIHPLBOSA-N 2 0 349.519 1.674 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000345044492 143042930 /nfs/dbraw/zinc/04/29/30/143042930.db2.gz PXLMGIQLZCSMOG-KURKYZTESA-N 2 0 336.524 1.488 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC000345732279 143126814 /nfs/dbraw/zinc/12/68/14/143126814.db2.gz IIBAHWUBVZGTDK-LSDHHAIUSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000346364788 143196925 /nfs/dbraw/zinc/19/69/25/143196925.db2.gz GEUOSYFTESVHFO-WCXIOVBPSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000346364789 143196963 /nfs/dbraw/zinc/19/69/63/143196963.db2.gz GEUOSYFTESVHFO-YLFCFFPRSA-N 2 0 325.497 1.722 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000347030330 143273957 /nfs/dbraw/zinc/27/39/57/143273957.db2.gz XTDIDXFUYZIXQC-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CCOc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347157081 143288832 /nfs/dbraw/zinc/28/88/32/143288832.db2.gz FDUFPEIATCFJSR-OAHLLOKOSA-N 2 0 335.448 1.381 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000347683878 143349182 /nfs/dbraw/zinc/34/91/82/143349182.db2.gz LMSHDYSJVQFULJ-DLBZAZTESA-N 2 0 325.497 1.583 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000341230810 143889436 /nfs/dbraw/zinc/88/94/36/143889436.db2.gz AQRIDVUVBBYMTE-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000572876464 306602314 /nfs/dbraw/zinc/60/23/14/306602314.db2.gz HHPHHLKYLIATOF-QGZVFWFLSA-N 2 0 331.460 1.443 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417550382 292168708 /nfs/dbraw/zinc/16/87/08/292168708.db2.gz VCVQVZOHWYJULA-AWEZNQCLSA-N 2 0 328.501 1.693 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000416844149 304351101 /nfs/dbraw/zinc/35/11/01/304351101.db2.gz POFABSLADJZLPW-FGTMMUONSA-N 2 0 330.476 1.930 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416843315 304351161 /nfs/dbraw/zinc/35/11/61/304351161.db2.gz OKUAVWLGDZNIKZ-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000352780200 149162633 /nfs/dbraw/zinc/16/26/33/149162633.db2.gz OEAAOEZPNQNRQR-QZTJIDSGSA-N 2 0 344.503 1.750 20 0 EDADRP Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000352785504 149164496 /nfs/dbraw/zinc/16/44/96/149164496.db2.gz ZPYYBPNPQVBMPB-QGZVFWFLSA-N 2 0 332.492 1.891 20 0 EDADRP CN(C)c1cc[nH+]cc1CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000353174714 149312653 /nfs/dbraw/zinc/31/26/53/149312653.db2.gz FGMDDWPBSBKQNV-HXUWFJFHSA-N 2 0 340.471 1.874 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000353307861 149359650 /nfs/dbraw/zinc/35/96/50/149359650.db2.gz LTBKBSHQFNZFJV-HXUWFJFHSA-N 2 0 346.519 1.728 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)[NH+]1CCOCC1 ZINC000416965800 304356655 /nfs/dbraw/zinc/35/66/55/304356655.db2.gz XTSFJIVXGVACOH-UAGQMJEPSA-N 2 0 340.512 1.563 20 0 EDADRP C[NH2+]CCCNC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000416976888 304359377 /nfs/dbraw/zinc/35/93/77/304359377.db2.gz AIKTZBMIIUIMLU-KBPBESRZSA-N 2 0 335.452 1.104 20 0 EDADRP C[C@H](O)CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000354882137 150009163 /nfs/dbraw/zinc/00/91/63/150009163.db2.gz ATWJCVYBLOUVFV-HNNXBMFYSA-N 2 0 327.513 1.563 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000416980899 304360808 /nfs/dbraw/zinc/36/08/08/304360808.db2.gz ZFQJIFZGRVNFNC-OAHLLOKOSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000355680572 150358096 /nfs/dbraw/zinc/35/80/96/150358096.db2.gz LFOHVHRTTZIURM-HNNXBMFYSA-N 2 0 327.538 1.908 20 0 EDADRP CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355765949 150392542 /nfs/dbraw/zinc/39/25/42/150392542.db2.gz YSBYWAPGVOFEPC-IBGZPJMESA-N 2 0 337.508 1.602 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417034004 304363577 /nfs/dbraw/zinc/36/35/77/304363577.db2.gz RPFYFPZKOKPCMR-RBUKOAKNSA-N 2 0 342.487 1.828 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417033824 304363646 /nfs/dbraw/zinc/36/36/46/304363646.db2.gz FVZZEUCTXHCOAI-HOTGVXAUSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417032299 304363306 /nfs/dbraw/zinc/36/33/06/304363306.db2.gz DXYLDMWEWKXTKS-QGZVFWFLSA-N 2 0 339.528 1.236 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NCCNc2cc[nH+]cc2)([NH+](C)C)C1 ZINC000356235546 150563031 /nfs/dbraw/zinc/56/30/31/150563031.db2.gz XQLMLEDYAASWLJ-CRAIPNDOSA-N 2 0 333.480 1.725 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357543830 151062636 /nfs/dbraw/zinc/06/26/36/151062636.db2.gz NHULEJGEWFXEIX-INIZCTEOSA-N 2 0 339.505 1.853 20 0 EDADRP C[C@@H]1COCC[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357825458 151162954 /nfs/dbraw/zinc/16/29/54/151162954.db2.gz VZFJCGUAYSREQN-IAGOWNOFSA-N 2 0 342.528 1.574 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357959296 151211002 /nfs/dbraw/zinc/21/10/02/151211002.db2.gz PBAVMBLGTFNIJC-CVEARBPZSA-N 2 0 327.517 1.042 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1 ZINC000358059256 151251586 /nfs/dbraw/zinc/25/15/86/151251586.db2.gz DCBURSBYXCXGCM-LJQANCHMSA-N 2 0 333.476 1.715 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417079670 304370774 /nfs/dbraw/zinc/37/07/74/304370774.db2.gz NMSBQOLYIAIRQI-HCXYKTFWSA-N 2 0 342.487 1.997 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000358169827 151294151 /nfs/dbraw/zinc/29/41/51/151294151.db2.gz RLQOTJOJYLXSRJ-SJORKVTESA-N 2 0 342.528 1.857 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417090996 304371744 /nfs/dbraw/zinc/37/17/44/304371744.db2.gz ZVEZOWYOSMTXFA-WMLDXEAASA-N 2 0 330.476 1.954 20 0 EDADRP CSC1(CNC(=O)N2CC[NH+]3CCC2CC3)CC[NH+](C)CC1 ZINC000358415910 151367829 /nfs/dbraw/zinc/36/78/29/151367829.db2.gz SVDRYONAFAVYRO-UHFFFAOYSA-N 2 0 326.510 1.303 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358509090 151399620 /nfs/dbraw/zinc/39/96/20/151399620.db2.gz MRHVDJZDTLVDIY-QGZVFWFLSA-N 2 0 345.487 1.954 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000359284070 151670263 /nfs/dbraw/zinc/67/02/63/151670263.db2.gz YUSYLCPQHCDGPZ-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H]1Oc1ccccc1 ZINC000359659616 151781963 /nfs/dbraw/zinc/78/19/63/151781963.db2.gz HVVKOADNOIIRGK-ZCNNSNEGSA-N 2 0 348.487 1.905 20 0 EDADRP COc1ccc(CNC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000360572034 152102225 /nfs/dbraw/zinc/10/22/25/152102225.db2.gz ISKJODPDTKJXRN-CABCVRRESA-N 2 0 348.447 1.181 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(CCOCC)CC1 ZINC000360797606 152209606 /nfs/dbraw/zinc/20/96/06/152209606.db2.gz JKSRSONKCAQYMQ-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000360911836 152249124 /nfs/dbraw/zinc/24/91/24/152249124.db2.gz GRTRUIWJUSAPPF-NZSAHSFTSA-N 2 0 349.519 1.699 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C[C@@H](C)O1 ZINC000361401015 152383160 /nfs/dbraw/zinc/38/31/60/152383160.db2.gz UPKBJYYIISVJFX-RKVPGOIHSA-N 2 0 335.492 1.571 20 0 EDADRP OCCOC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000370181541 155366326 /nfs/dbraw/zinc/36/63/26/155366326.db2.gz GWUSFSNPKWXRDF-UHFFFAOYSA-N 2 0 340.508 1.931 20 0 EDADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363735045 153042133 /nfs/dbraw/zinc/04/21/33/153042133.db2.gz VCQZXQOICMBUAR-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417194155 304383211 /nfs/dbraw/zinc/38/32/11/304383211.db2.gz MDPVJUAPNSEBCS-KRWDZBQOSA-N 2 0 332.492 1.848 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734810 153318973 /nfs/dbraw/zinc/31/89/73/153318973.db2.gz LGKBTGKAIRVLKG-PASDCYSWSA-N 2 0 337.508 1.756 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417209596 304384703 /nfs/dbraw/zinc/38/47/03/304384703.db2.gz CKDVMRSIELVJIV-CUSZFKRNSA-N 2 0 340.512 1.645 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347501 153789975 /nfs/dbraw/zinc/78/99/75/153789975.db2.gz OQINQACZFGKOOW-KZNAEPCWSA-N 2 0 331.460 1.174 20 0 EDADRP Cc1ccncc1CCC[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000367316249 154076325 /nfs/dbraw/zinc/07/63/25/154076325.db2.gz CGMSRQVDGXIIAR-LJQANCHMSA-N 3 0 332.492 1.319 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367625415 154203429 /nfs/dbraw/zinc/20/34/29/154203429.db2.gz XYVWPAUDOPJHJF-BZSNNMDCSA-N 2 0 330.476 1.881 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N(C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000367648662 154212961 /nfs/dbraw/zinc/21/29/61/154212961.db2.gz KUGTZWLNVSAFLO-OAHLLOKOSA-N 2 0 349.479 1.309 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000417371884 304395124 /nfs/dbraw/zinc/39/51/24/304395124.db2.gz WJJAOLBUGLZNAZ-GDBMZVCRSA-N 2 0 334.464 1.554 20 0 EDADRP CC[NH+](CC)CCNC(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000369392793 155011535 /nfs/dbraw/zinc/01/15/35/155011535.db2.gz BJWCSQAEVFOEER-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000417380189 304395726 /nfs/dbraw/zinc/39/57/26/304395726.db2.gz KIZNCTMEZCUWQD-AWEZNQCLSA-N 2 0 336.505 1.963 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000369655628 155121542 /nfs/dbraw/zinc/12/15/42/155121542.db2.gz HTNKXMJDESNHSU-VSZNYVQBSA-N 2 0 334.508 1.844 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417477103 304398651 /nfs/dbraw/zinc/39/86/51/304398651.db2.gz GAWYPYANSWVXRK-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000371839230 156132752 /nfs/dbraw/zinc/13/27/52/156132752.db2.gz REFPUUWWHSXNCA-BBWFWOEESA-N 2 0 338.496 1.271 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372430649 156385846 /nfs/dbraw/zinc/38/58/46/156385846.db2.gz GPUIRNGFHFLYKS-ZUEVXXBESA-N 2 0 343.427 1.534 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000417530951 304403723 /nfs/dbraw/zinc/40/37/23/304403723.db2.gz SWVHZZBQZDZUIG-SJLPKXTDSA-N 2 0 348.491 1.596 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CCCC2)CC1 ZINC000417547670 304404762 /nfs/dbraw/zinc/40/47/62/304404762.db2.gz OYFUNIFOLNARFW-ZIAGYGMSSA-N 2 0 326.485 1.445 20 0 EDADRP C[C@H](O)COC(=O)CC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373860783 157036854 /nfs/dbraw/zinc/03/68/54/157036854.db2.gz VFNOLFKATNUROB-JYJNAYRXSA-N 2 0 342.480 1.122 20 0 EDADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000374020720 157111227 /nfs/dbraw/zinc/11/12/27/157111227.db2.gz AYRWOBIZQVHWKW-IRXDYDNUSA-N 2 0 326.400 1.270 20 0 EDADRP CC1CC[NH+](CC2CCN(C(=O)[C@@H]([NH3+])C3CCOCC3)CC2)CC1 ZINC000374516948 157315345 /nfs/dbraw/zinc/31/53/45/157315345.db2.gz AOJJWNIKKPPOCT-SFHVURJKSA-N 2 0 337.508 1.711 20 0 EDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000375063975 157485749 /nfs/dbraw/zinc/48/57/49/157485749.db2.gz HOLIZHVBKLNJHD-GJZGRUSLSA-N 2 0 327.444 1.180 20 0 EDADRP O=C([C@H](Cc1ccccc1)[NH2+]CC1CC[NH2+]CC1)N1CCOCC1 ZINC000415114672 304409446 /nfs/dbraw/zinc/40/94/46/304409446.db2.gz TVFNALDBKRHTIM-SFHVURJKSA-N 2 0 331.460 1.046 20 0 EDADRP COCCN1CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)C[C@@H]1C ZINC000377966669 158042444 /nfs/dbraw/zinc/04/24/44/158042444.db2.gz VWDFMAKKBJCEIJ-FUHWJXTLSA-N 2 0 346.475 1.225 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000378201372 158108073 /nfs/dbraw/zinc/10/80/73/158108073.db2.gz ISEMRIPERCNILY-GOSISDBHSA-N 2 0 334.439 1.464 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000423732025 304906800 /nfs/dbraw/zinc/90/68/00/304906800.db2.gz SESMYCJRGSJGIO-AJNGGQMLSA-N 2 0 325.453 1.131 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185433038 286834719 /nfs/dbraw/zinc/83/47/19/286834719.db2.gz BLBBKJDINFTJCN-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000417926665 304432568 /nfs/dbraw/zinc/43/25/68/304432568.db2.gz DULJRKRJIGLSKL-WMLDXEAASA-N 2 0 333.480 1.890 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000417929259 304433142 /nfs/dbraw/zinc/43/31/42/304433142.db2.gz ILFVHTUOSMLYRS-ZBFHGGJFSA-N 2 0 334.439 1.638 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000352156033 162017837 /nfs/dbraw/zinc/01/78/37/162017837.db2.gz HGXIEVSJHIYHAY-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@H]1C ZINC000352215025 162055434 /nfs/dbraw/zinc/05/54/34/162055434.db2.gz YXKJAUMUKYTLAG-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000352224357 162059775 /nfs/dbraw/zinc/05/97/75/162059775.db2.gz YMVKBPRIDAFVPF-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000352234495 162063910 /nfs/dbraw/zinc/06/39/10/162063910.db2.gz LFQNECMVXAUAGS-INIZCTEOSA-N 2 0 341.521 1.768 20 0 EDADRP Cc1cc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)ccc1-n1cncn1 ZINC000352534302 162237500 /nfs/dbraw/zinc/23/75/00/162237500.db2.gz FGGXYEICBVMHBD-KRWDZBQOSA-N 2 0 326.448 1.055 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[S@](=O)c2ccccc2)CC1 ZINC000357652261 162286897 /nfs/dbraw/zinc/28/68/97/162286897.db2.gz VBCZOOPJOUANDW-MWTRTKDXSA-N 2 0 338.517 1.819 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCC1 ZINC000360668114 162297126 /nfs/dbraw/zinc/29/71/26/162297126.db2.gz DLZICPRCQQEXAB-NVXWUHKLSA-N 2 0 342.553 1.843 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418024479 304447804 /nfs/dbraw/zinc/44/78/04/304447804.db2.gz TZUCHHZWGNBZGJ-DLBZAZTESA-N 2 0 340.512 1.376 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417694746 287008660 /nfs/dbraw/zinc/00/86/60/287008660.db2.gz DTTRTOCNMIHYJB-MRXNPFEDSA-N 2 0 340.512 1.790 20 0 EDADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000073637956 287262340 /nfs/dbraw/zinc/26/23/40/287262340.db2.gz UXUCGIXJNQIQPT-SFHVURJKSA-N 2 0 338.540 1.495 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000237343951 287276533 /nfs/dbraw/zinc/27/65/33/287276533.db2.gz VWWLYOHBCUDNTN-OLMNPRSZSA-N 2 0 331.460 1.400 20 0 EDADRP CC[NH2+]CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418328538 304480625 /nfs/dbraw/zinc/48/06/25/304480625.db2.gz SNWXKVWKCHZLHH-UHFFFAOYSA-N 2 0 328.407 1.648 20 0 EDADRP COC1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000166049096 226145092 /nfs/dbraw/zinc/14/50/92/226145092.db2.gz FLYPJHCYQAUVEL-GASCZTMLSA-N 2 0 325.497 1.628 20 0 EDADRP COC1(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000168708931 226220879 /nfs/dbraw/zinc/22/08/79/226220879.db2.gz YQKBFNNQBLMWDN-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+]1CCC[C@@H](CNc2cc(NC[C@@H]3CCC[N@@H+](C)C3)ncn2)C1 ZINC000124229695 222396089 /nfs/dbraw/zinc/39/60/89/222396089.db2.gz DHYKVWMQPSTDOD-HOTGVXAUSA-N 2 0 332.496 1.984 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000130297223 287490140 /nfs/dbraw/zinc/49/01/40/287490140.db2.gz JJYTUECKFUNPIS-DOTOQJQBSA-N 2 0 331.460 1.948 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C[NH3+])CC(C)C)C1 ZINC000418433278 304495423 /nfs/dbraw/zinc/49/54/23/304495423.db2.gz CVICJNZSDCQDFY-PMPSAXMXSA-N 2 0 326.485 1.255 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000418464011 304498393 /nfs/dbraw/zinc/49/83/93/304498393.db2.gz LYWKMPHYONADQV-GOEBONIOSA-N 2 0 328.501 1.238 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000418470463 304499460 /nfs/dbraw/zinc/49/94/60/304499460.db2.gz UYMAOZHPUJEBOX-MAUKXSAKSA-N 2 0 348.491 1.959 20 0 EDADRP Cc1c(C(=O)N[C@@H](C)C[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000165032812 267519223 /nfs/dbraw/zinc/51/92/23/267519223.db2.gz HTBRWHAIBDZAOH-ZDUSSCGKSA-N 2 0 334.468 1.115 20 0 EDADRP CC(C)OCC[NH+]1CCC(N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC000273505548 268054577 /nfs/dbraw/zinc/05/45/77/268054577.db2.gz ZTIAULKHSLGRFR-SFHVURJKSA-N 2 0 333.476 1.562 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000275572969 268362481 /nfs/dbraw/zinc/36/24/81/268362481.db2.gz COSPGHLIDBSBPE-KRWDZBQOSA-N 2 0 334.464 1.311 20 0 EDADRP O=C(NC1CC1)N[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000273973980 273063635 /nfs/dbraw/zinc/06/36/35/273063635.db2.gz KCQLAPZDYWCYPJ-MRXNPFEDSA-N 2 0 325.416 1.908 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000276319742 273159898 /nfs/dbraw/zinc/15/98/98/273159898.db2.gz WLKGHYMBWNLAHO-SFHVURJKSA-N 2 0 348.491 1.263 20 0 EDADRP COc1ccccc1-n1nccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000280882431 273410501 /nfs/dbraw/zinc/41/05/01/273410501.db2.gz FADFAEIRACKBIN-INIZCTEOSA-N 2 0 343.475 1.606 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285497623 274562975 /nfs/dbraw/zinc/56/29/75/274562975.db2.gz AAGIKBQQELHTBL-UONOGXRCSA-N 2 0 332.448 1.304 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)C[NH3+])CC1 ZINC000286062998 287927059 /nfs/dbraw/zinc/92/70/59/287927059.db2.gz LWGZBFZIVLLZIN-ZIAGYGMSSA-N 2 0 336.455 1.740 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417573072 277221201 /nfs/dbraw/zinc/22/12/01/277221201.db2.gz WJLMTKFGXFTCMF-CVEARBPZSA-N 2 0 326.485 1.304 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418422689 277481560 /nfs/dbraw/zinc/48/15/60/277481560.db2.gz BIJDPUWPBVVBCU-BZUAXINKSA-N 2 0 326.485 1.288 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000236660819 278551307 /nfs/dbraw/zinc/55/13/07/278551307.db2.gz CTORYYKPQJXBHK-FGTMMUONSA-N 2 0 331.460 1.299 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286667226 288058101 /nfs/dbraw/zinc/05/81/01/288058101.db2.gz UYWDPSHCOHZHAY-QXCFHYIPSA-N 2 0 345.487 1.611 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457820276 279127658 /nfs/dbraw/zinc/12/76/58/279127658.db2.gz VFXPUAAOWRYVMQ-HZPDHXFCSA-N 2 0 328.501 1.109 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417748402 279361345 /nfs/dbraw/zinc/36/13/45/279361345.db2.gz IDLTZWPCTPFMHN-BRWVUGGUSA-N 2 0 339.528 1.029 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261795535 279374368 /nfs/dbraw/zinc/37/43/68/279374368.db2.gz MGHNASAIDYCZTK-ZIAGYGMSSA-N 2 0 336.455 1.882 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000367919600 280086261 /nfs/dbraw/zinc/08/62/61/280086261.db2.gz ZRXYTJWKGWUVHN-NXHRZFHOSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000345708525 288217670 /nfs/dbraw/zinc/21/76/70/288217670.db2.gz JHKIJTVFVITYIU-BPLDGKMQSA-N 2 0 325.403 1.996 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000289690797 288760564 /nfs/dbraw/zinc/76/05/64/288760564.db2.gz KAXBMYIDVSGLKI-UHFFFAOYSA-N 2 0 349.519 1.967 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H](C[NH3+])OC)ccc1OC ZINC000290100152 288839441 /nfs/dbraw/zinc/83/94/41/288839441.db2.gz XNVYWFPNMBROQT-INIZCTEOSA-N 2 0 339.436 1.328 20 0 EDADRP C[NH+]1CCC(CC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000292081661 289256892 /nfs/dbraw/zinc/25/68/92/289256892.db2.gz HVEVEFMPLPJOFQ-IBGZPJMESA-N 2 0 345.487 1.254 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000292185603 289283043 /nfs/dbraw/zinc/28/30/43/289283043.db2.gz QXFCDRQQPKBJFN-PKOBYXMFSA-N 2 0 334.460 1.600 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000292363015 289326199 /nfs/dbraw/zinc/32/61/99/289326199.db2.gz YVQGPOOAMVACGY-JKSUJKDBSA-N 2 0 332.492 1.675 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C[C@@]2(C)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000495418508 289888744 /nfs/dbraw/zinc/88/87/44/289888744.db2.gz MGPBMPHKBDJMND-QGZVFWFLSA-N 2 0 341.496 1.680 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582137 290042022 /nfs/dbraw/zinc/04/20/22/290042022.db2.gz VRNJBLMJVYQJNS-RBUKOAKNSA-N 2 0 344.503 1.624 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000333665947 295224469 /nfs/dbraw/zinc/22/44/69/295224469.db2.gz MISKFPJYGKBTNC-RUGDWHBFSA-N 2 0 346.475 1.519 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574408 304514434 /nfs/dbraw/zinc/51/44/34/304514434.db2.gz VIXVSJXNGRVCGU-JOXOIDLHSA-N 2 0 326.391 1.445 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)C(=O)NCCC[NH3+])CCCC1)c1ccccc1 ZINC000418870415 304542054 /nfs/dbraw/zinc/54/20/54/304542054.db2.gz UBLUBILBKDVGMM-OAHLLOKOSA-N 2 0 346.475 1.231 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328412 298103594 /nfs/dbraw/zinc/10/35/94/298103594.db2.gz MLDZKHBEZRVJJK-TWMKSMIVSA-N 2 0 337.508 1.567 20 0 EDADRP CC[NH2+]CCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000414751865 447321303 /nfs/dbraw/zinc/32/13/03/447321303.db2.gz NYHPVFHIZCFRSE-UHFFFAOYSA-N 2 0 333.480 1.868 20 0 EDADRP C[C@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCCN1Cc1ccccc1 ZINC000294496352 303115957 /nfs/dbraw/zinc/11/59/57/303115957.db2.gz YBVLSUIZLGHQLH-DOTOQJQBSA-N 2 0 341.459 1.782 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000294716400 303138757 /nfs/dbraw/zinc/13/87/57/303138757.db2.gz BORQZSBFWZRHNX-KRWDZBQOSA-N 2 0 347.459 1.386 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000296967599 303349630 /nfs/dbraw/zinc/34/96/30/303349630.db2.gz OKKPPEOLAHIOEY-HNNXBMFYSA-N 2 0 334.464 1.578 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)Cn3ccnc3C)c2)CC1 ZINC000297116911 303360966 /nfs/dbraw/zinc/36/09/66/303360966.db2.gz OTQZPXXUAQSKHP-UHFFFAOYSA-N 2 0 327.432 1.972 20 0 EDADRP COCCCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299546643 303626483 /nfs/dbraw/zinc/62/64/83/303626483.db2.gz WMTNJPVCOXKXJY-UHFFFAOYSA-N 2 0 349.479 1.272 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)C[NH3+])CC2)cc1 ZINC000414879034 447340411 /nfs/dbraw/zinc/34/04/11/447340411.db2.gz OUDIIQOKBAAQFB-AWEZNQCLSA-N 2 0 325.478 1.333 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCc2nnnn2CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421873620 304816641 /nfs/dbraw/zinc/81/66/41/304816641.db2.gz HVNZWHZASFYQAD-GOEBONIOSA-N 2 0 344.463 1.669 20 0 EDADRP O=C(c1ccccc1)N1C[C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997971 304882706 /nfs/dbraw/zinc/88/27/06/304882706.db2.gz VUJMAFPESUACJE-QYZOEREBSA-N 2 0 342.487 1.317 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423117861 304887446 /nfs/dbraw/zinc/88/74/46/304887446.db2.gz XPQWCORLAFKMII-QZTJIDSGSA-N 2 0 333.476 1.564 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424459277 304930613 /nfs/dbraw/zinc/93/06/13/304930613.db2.gz WBNUXSHWWLLQMX-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+](CC)CC)C2)c1 ZINC000414896822 447347659 /nfs/dbraw/zinc/34/76/59/447347659.db2.gz ADZIKPMXSZOPOY-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430621527 305059656 /nfs/dbraw/zinc/05/96/56/305059656.db2.gz DLQVHGOANWQFND-WBVHZDCISA-N 2 0 331.460 1.900 20 0 EDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430625096 305059775 /nfs/dbraw/zinc/05/97/75/305059775.db2.gz JFTDGWUUJHZXNU-INIZCTEOSA-N 2 0 332.448 1.334 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000430777223 305064847 /nfs/dbraw/zinc/06/48/47/305064847.db2.gz MMBFAFAANCXWLX-UNPWZGGWSA-N 2 0 335.492 1.524 20 0 EDADRP COc1cccc(CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433120351 305100878 /nfs/dbraw/zinc/10/08/78/305100878.db2.gz YMMSMRPRJOJLIB-UHFFFAOYSA-N 2 0 333.476 1.947 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000433340713 305106226 /nfs/dbraw/zinc/10/62/26/305106226.db2.gz CQIDFEPLZGLPRL-MRXNPFEDSA-N 2 0 339.505 1.853 20 0 EDADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000434693655 305127870 /nfs/dbraw/zinc/12/78/70/305127870.db2.gz OBHCUOXDCULIET-DYVFJYSZSA-N 2 0 328.420 1.777 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000435495088 305141192 /nfs/dbraw/zinc/14/11/92/305141192.db2.gz DDBQRKBWTXDXRI-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP O=C([C@@H]1CCC[NH2+]C1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562066 305142382 /nfs/dbraw/zinc/14/23/82/305142382.db2.gz BFHKOPIYYGONLH-KGLIPLIRSA-N 2 0 334.489 1.613 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436058580 305151671 /nfs/dbraw/zinc/15/16/71/305151671.db2.gz ZBVABSKQIRLIQQ-QGZVFWFLSA-N 2 0 346.475 1.208 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000438549615 305186981 /nfs/dbraw/zinc/18/69/81/305186981.db2.gz FDZYOOKSLKUPTB-AEFFLSMTSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000438549617 305187056 /nfs/dbraw/zinc/18/70/56/305187056.db2.gz FDZYOOKSLKUPTB-SJLPKXTDSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000438721491 305188598 /nfs/dbraw/zinc/18/85/98/305188598.db2.gz JKFSIBAWDBYHEW-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000441237226 305219414 /nfs/dbraw/zinc/21/94/14/305219414.db2.gz WGRMGYKJVQOHIH-BZSNNMDCSA-N 2 0 333.476 1.953 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067854 305234380 /nfs/dbraw/zinc/23/43/80/305234380.db2.gz GYHXMUAUCORUIM-GOEBONIOSA-N 2 0 332.448 1.462 20 0 EDADRP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066528 305234417 /nfs/dbraw/zinc/23/44/17/305234417.db2.gz FIEHVSQSKJFKSC-CQSZACIVSA-N 2 0 344.459 1.811 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719820 305269903 /nfs/dbraw/zinc/26/99/03/305269903.db2.gz JXGDSOTVHFHCQO-SJORKVTESA-N 2 0 325.497 1.437 20 0 EDADRP C[C@H](O)[C@H]1C[C@H](C)CC[NH+]1C[C@@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000447264439 305276628 /nfs/dbraw/zinc/27/66/28/305276628.db2.gz BIMIWKHFCSYFPA-NOLQTVRTSA-N 2 0 342.524 1.310 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccnn3C)cn2)CC1 ZINC000447532903 305281581 /nfs/dbraw/zinc/28/15/81/305281581.db2.gz VUWAAXFDUZVZKS-HNNXBMFYSA-N 2 0 328.464 1.808 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000449354208 305312267 /nfs/dbraw/zinc/31/22/67/305312267.db2.gz LBLFKQGZNRPCCT-RDTXWAMCSA-N 2 0 349.450 1.641 20 0 EDADRP C[C@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000452064891 305381537 /nfs/dbraw/zinc/38/15/37/305381537.db2.gz GTPBABKKNZIHJD-LPHOPBHVSA-N 2 0 345.487 1.601 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457537553 305490788 /nfs/dbraw/zinc/49/07/88/305490788.db2.gz YKUYCVKCKUAUCR-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP CCOc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414919372 447357146 /nfs/dbraw/zinc/35/71/46/447357146.db2.gz WZADZGFMVRIMQV-GOEBONIOSA-N 2 0 349.475 1.640 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1[NH3+] ZINC000514722025 305703175 /nfs/dbraw/zinc/70/31/75/305703175.db2.gz MRRXGRLMOALEKA-RSUZKEPVSA-N 2 0 348.413 1.780 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOC[C@@H]2CCCO2)CC[NH2+]CC1 ZINC000514854739 305707663 /nfs/dbraw/zinc/70/76/63/305707663.db2.gz HZHMCAUITYFHBZ-CABCVRRESA-N 2 0 328.453 1.093 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000519829900 305776378 /nfs/dbraw/zinc/77/63/78/305776378.db2.gz VITAEBAKXISOCV-KGLIPLIRSA-N 2 0 334.464 1.709 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000414931422 447361834 /nfs/dbraw/zinc/36/18/34/447361834.db2.gz BSIRMOPIAQZQBH-XUJVJEKNSA-N 2 0 330.432 1.386 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529318193 305908420 /nfs/dbraw/zinc/90/84/20/305908420.db2.gz VZKGGPVDRRVGCH-MRXNPFEDSA-N 2 0 326.485 1.032 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000529319539 305908738 /nfs/dbraw/zinc/90/87/38/305908738.db2.gz BNQMKSJMQBVMQR-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000414940055 447365007 /nfs/dbraw/zinc/36/50/07/447365007.db2.gz GXAQITUEMVKHPL-CZUORRHYSA-N 2 0 332.448 1.143 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NC3CC[NH+](C4CC4)CC3)n2)CC1 ZINC000534312455 306005917 /nfs/dbraw/zinc/00/59/17/306005917.db2.gz GXALKSFQLVSNLA-UHFFFAOYSA-N 2 0 343.475 1.190 20 0 EDADRP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000547296106 306097817 /nfs/dbraw/zinc/09/78/17/306097817.db2.gz AYXYCPNGIOYABK-HDMKZQKVSA-N 2 0 338.496 1.005 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000552157115 306176446 /nfs/dbraw/zinc/17/64/46/306176446.db2.gz DXASUHJLOINOSB-ROUUACIJSA-N 2 0 331.460 1.032 20 0 EDADRP COc1ccccc1[C@@H](CO)[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000554550645 306195312 /nfs/dbraw/zinc/19/53/12/306195312.db2.gz PIMJNBFGWHKMJG-GOSISDBHSA-N 2 0 335.492 1.734 20 0 EDADRP C[C@@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000458438206 447368072 /nfs/dbraw/zinc/36/80/72/447368072.db2.gz LOZGFACUAJDIRI-INIZCTEOSA-N 2 0 341.544 1.290 20 0 EDADRP COCC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC[NH2+]CC1 ZINC000414968949 447378965 /nfs/dbraw/zinc/37/89/65/447378965.db2.gz GELMIBQZZLEAQM-UHFFFAOYSA-N 3 0 329.448 1.682 20 0 EDADRP CO[C@@H]1C[C@H]([N@H+](C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000449634917 447380991 /nfs/dbraw/zinc/38/09/91/447380991.db2.gz SKUBZGYCYYQMHJ-DLBZAZTESA-N 2 0 345.491 1.618 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F ZINC000414981750 447383477 /nfs/dbraw/zinc/38/34/77/447383477.db2.gz BYRQLEJUYNJMBN-QAPCUYQASA-N 2 0 335.423 1.571 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)ccc21 ZINC000449721885 447391678 /nfs/dbraw/zinc/39/16/78/447391678.db2.gz KJCWVUROAFEFML-AWEZNQCLSA-N 2 0 342.365 2.000 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(CC2CC2)nn1 ZINC000449827756 447399448 /nfs/dbraw/zinc/39/94/48/447399448.db2.gz VHTWLOJIGNNKAS-MRXNPFEDSA-N 2 0 348.495 1.176 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC2CCC([NH+](C)C)CC2)CCCO1 ZINC000422198725 447399578 /nfs/dbraw/zinc/39/95/78/447399578.db2.gz HJCIQPRJAMHICG-GTPINHCMSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415419220 447416533 /nfs/dbraw/zinc/41/65/33/447416533.db2.gz PTXZWZJPMYMVBJ-AWEZNQCLSA-N 2 0 332.448 1.069 20 0 EDADRP CCCN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000419797863 447420713 /nfs/dbraw/zinc/42/07/13/447420713.db2.gz VILHDSBHVPHTDQ-SJORKVTESA-N 2 0 346.475 1.006 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C1CC1 ZINC000105225017 441243998 /nfs/dbraw/zinc/24/39/98/441243998.db2.gz DKMOGPOFIBYOHQ-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCC1 ZINC000073243147 441304376 /nfs/dbraw/zinc/30/43/76/441304376.db2.gz OVQLSTFGWZABIH-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000073331807 441310052 /nfs/dbraw/zinc/31/00/52/441310052.db2.gz MQUVBWHVZJPCTR-KRWDZBQOSA-N 2 0 344.503 1.798 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000107388538 441413750 /nfs/dbraw/zinc/41/37/50/441413750.db2.gz RBYGZVRTXJGYGW-QGZVFWFLSA-N 2 0 347.507 1.887 20 0 EDADRP CCOCCNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000084693217 441413806 /nfs/dbraw/zinc/41/38/06/441413806.db2.gz CWLGYHZNPVEWER-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP CCC1CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000052279644 441444774 /nfs/dbraw/zinc/44/47/74/441444774.db2.gz SPZLTSOVJKJJRO-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000074875979 441475469 /nfs/dbraw/zinc/47/54/69/441475469.db2.gz MMIDIRPNGMLXOY-SJORKVTESA-N 2 0 340.512 1.658 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000052498397 441454067 /nfs/dbraw/zinc/45/40/67/441454067.db2.gz UWYXIEXEVAOMAI-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000108541272 441461322 /nfs/dbraw/zinc/46/13/22/441461322.db2.gz WDVOJWJIQFHPBW-QAPCUYQASA-N 2 0 348.491 1.939 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000066175664 441508469 /nfs/dbraw/zinc/50/84/69/441508469.db2.gz ZLOOQTBALJFMGM-HZPDHXFCSA-N 2 0 328.501 1.373 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000090581922 441636517 /nfs/dbraw/zinc/63/65/17/441636517.db2.gz IARBZYMYYANOIB-AAEUAGOBSA-N 2 0 331.507 1.265 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000068423567 441795863 /nfs/dbraw/zinc/79/58/63/441795863.db2.gz XURUUWICTQHGRK-LJQANCHMSA-N 2 0 346.519 1.775 20 0 EDADRP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)C[NH+]1CCCC1 ZINC000121931836 441814052 /nfs/dbraw/zinc/81/40/52/441814052.db2.gz IZBGTAHTHSLCMV-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccc(OC)cc2)C1 ZINC000173908044 441860993 /nfs/dbraw/zinc/86/09/93/441860993.db2.gz LPECWKACPDWABQ-MSOLQXFVSA-N 2 0 336.476 1.846 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077662652 441825184 /nfs/dbraw/zinc/82/51/84/441825184.db2.gz PPDZCUOIHVBVBQ-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cn3cccn3)cn2)CC1 ZINC000122006522 441827806 /nfs/dbraw/zinc/82/78/06/441827806.db2.gz RBKZHJGVZGZXBP-MRXNPFEDSA-N 2 0 328.464 1.598 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(F)cc2c1OCOC2 ZINC000174724025 441959450 /nfs/dbraw/zinc/95/94/50/441959450.db2.gz ACVFLLDTEMKQJM-UHFFFAOYSA-N 2 0 337.439 1.762 20 0 EDADRP COc1ccc(NC(=O)[C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174719106 441959832 /nfs/dbraw/zinc/95/98/32/441959832.db2.gz VOWMKOGORVAMLX-MRXNPFEDSA-N 2 0 348.491 1.592 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000125476970 442023775 /nfs/dbraw/zinc/02/37/75/442023775.db2.gz KBDATSJFWZCQTA-AWEZNQCLSA-N 2 0 339.505 1.977 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000162797404 442123694 /nfs/dbraw/zinc/12/36/94/442123694.db2.gz PJHWFZPLWOHOIL-BJLQDIEVSA-N 2 0 348.487 1.989 20 0 EDADRP COCCN1CCC[C@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163451212 442166250 /nfs/dbraw/zinc/16/62/50/442166250.db2.gz YATZMDZKKRCCGI-INIZCTEOSA-N 2 0 335.448 1.585 20 0 EDADRP CN(CC(=O)N1CCC(c2ccccc2)=N1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152378037 442204870 /nfs/dbraw/zinc/20/48/70/442204870.db2.gz RBXYVXLTUWDYBB-MRXNPFEDSA-N 2 0 328.460 1.897 20 0 EDADRP CS(=O)(=O)NCCC[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000121223378 442193659 /nfs/dbraw/zinc/19/36/59/442193659.db2.gz MFRLMNXSTKTDMH-UHFFFAOYSA-N 2 0 331.526 1.560 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000166044610 442213604 /nfs/dbraw/zinc/21/36/04/442213604.db2.gz RUNOPOBITAHXEJ-YOEHRIQHSA-N 2 0 332.452 1.670 20 0 EDADRP CC1(C)CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000167706396 442222117 /nfs/dbraw/zinc/22/21/17/442222117.db2.gz JPOVDCJQYAUSFD-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)CC2 ZINC000128017922 442240151 /nfs/dbraw/zinc/24/01/51/442240151.db2.gz GNQNCAYRXXEITL-YJBOKZPZSA-N 2 0 331.460 1.860 20 0 EDADRP C[NH+](C)CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000170773305 442261313 /nfs/dbraw/zinc/26/13/13/442261313.db2.gz JAAGHEKTVRIKDH-KRWDZBQOSA-N 2 0 345.491 1.004 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000128363898 442262082 /nfs/dbraw/zinc/26/20/82/442262082.db2.gz IKQDYXWZQLEZJP-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)(C)OC(=O)NCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000176955713 442277222 /nfs/dbraw/zinc/27/72/22/442277222.db2.gz FLPHIBDDJLUGQK-UHFFFAOYSA-N 2 0 327.469 1.555 20 0 EDADRP CCNC(=O)CC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177481827 442347935 /nfs/dbraw/zinc/34/79/35/442347935.db2.gz ATVIFJZCPRFLCG-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000131880702 442382380 /nfs/dbraw/zinc/38/23/80/442382380.db2.gz VXXLSWPGPBXTDP-RDJZCZTQSA-N 2 0 328.501 1.109 20 0 EDADRP COC1(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC[NH2+]CC1 ZINC000178855105 442503611 /nfs/dbraw/zinc/50/36/11/442503611.db2.gz SWEDLWXABQYANR-UHFFFAOYSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000156727552 442514450 /nfs/dbraw/zinc/51/44/50/442514450.db2.gz ISFWOMGXMOSCTI-SJORKVTESA-N 2 0 335.492 1.998 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000186722454 442601237 /nfs/dbraw/zinc/60/12/37/442601237.db2.gz VNEWRQQUKAGFQH-YJBOKZPZSA-N 2 0 330.476 1.162 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)c2)CC1 ZINC000158139237 442649275 /nfs/dbraw/zinc/64/92/75/442649275.db2.gz GWCVJYNHPADAAP-FQEVSTJZSA-N 2 0 342.487 1.260 20 0 EDADRP COCCOC[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192748219 442683066 /nfs/dbraw/zinc/68/30/66/442683066.db2.gz ZNXZPEHZRPMGHC-GOSISDBHSA-N 2 0 327.513 1.387 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000187907982 442697346 /nfs/dbraw/zinc/69/73/46/442697346.db2.gz NIMSUAKVJCIVLZ-DLBZAZTESA-N 2 0 331.460 1.316 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CCN(Cc2c[nH]cn2)CC1 ZINC000193385310 442738017 /nfs/dbraw/zinc/73/80/17/442738017.db2.gz HWGFPGFZPNQCSX-UHFFFAOYSA-N 2 0 333.480 1.614 20 0 EDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(C[NH+]2CCC[C@@H]2C[C@H](C)O)COC1 ZINC000182360472 442759994 /nfs/dbraw/zinc/75/99/94/442759994.db2.gz UGAHRGXXXFJYSQ-XMTFNYHQSA-N 2 0 340.508 1.474 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247091204 442835088 /nfs/dbraw/zinc/83/50/88/442835088.db2.gz PUDODBGPVLEPQC-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCOC[C@H]2C)[C@H](C)C1 ZINC000247135917 442836847 /nfs/dbraw/zinc/83/68/47/442836847.db2.gz VWNCHKCPPCWXAK-KURKYZTESA-N 2 0 327.513 1.434 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000182953457 442853294 /nfs/dbraw/zinc/85/32/94/442853294.db2.gz NYZQCFOMTXDGBG-UHFFFAOYSA-N 2 0 325.478 1.604 20 0 EDADRP C[NH+](CCC1CCOCC1)CC(O)C[N@H+](C)CCC1CCOCC1 ZINC000194636115 442929293 /nfs/dbraw/zinc/92/92/93/442929293.db2.gz XIVFXBSYHCHURJ-UHFFFAOYSA-N 2 0 342.524 1.844 20 0 EDADRP C[C@H](CN1CCOCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000249516565 442981387 /nfs/dbraw/zinc/98/13/87/442981387.db2.gz FJHVUYZKEOPKDN-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP CCS(=O)(=O)CCCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000190394602 443100167 /nfs/dbraw/zinc/10/01/67/443100167.db2.gz YKPVEFKEIRNRBE-UHFFFAOYSA-N 2 0 346.537 1.636 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000184962750 443107675 /nfs/dbraw/zinc/10/76/75/443107675.db2.gz OODJLGCARGKICW-RBUKOAKNSA-N 2 0 344.503 1.576 20 0 EDADRP C[C@@H]1C[C@@H](NCCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000268805314 443113613 /nfs/dbraw/zinc/11/36/13/443113613.db2.gz MALSHVIZGJPTPU-ZBFHGGJFSA-N 2 0 325.478 1.178 20 0 EDADRP [NH3+][C@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@H]21 ZINC000185028499 443120997 /nfs/dbraw/zinc/12/09/97/443120997.db2.gz DOYIFIUMSHGQJM-UHOSZYNNSA-N 2 0 342.487 1.394 20 0 EDADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268988901 443167184 /nfs/dbraw/zinc/16/71/84/443167184.db2.gz MCPOWOZIKYUBCA-GFCCVEGCSA-N 2 0 340.855 1.498 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261767118 443169146 /nfs/dbraw/zinc/16/91/46/443169146.db2.gz FNOHOKVWEDUGPA-UXLLHSPISA-N 2 0 325.497 1.615 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000185259429 443171727 /nfs/dbraw/zinc/17/17/27/443171727.db2.gz OZQUGPGGJKOTGB-JKSUJKDBSA-N 2 0 348.491 1.345 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000266611134 443185652 /nfs/dbraw/zinc/18/56/52/443185652.db2.gz WAHKKPPIBWKHJP-UHFFFAOYSA-N 2 0 336.480 1.386 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000269081647 443192071 /nfs/dbraw/zinc/19/20/71/443192071.db2.gz ZSURMSJKPGDZCN-AWEZNQCLSA-N 2 0 333.432 1.751 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238133783 443195569 /nfs/dbraw/zinc/19/55/69/443195569.db2.gz RMIBCCBPVZSCJE-OAHLLOKOSA-N 2 0 346.479 1.197 20 0 EDADRP COCCOc1ccc([C@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1 ZINC000268959931 443160039 /nfs/dbraw/zinc/16/00/39/443160039.db2.gz XBKBPGRBFLKZJP-MAUKXSAKSA-N 2 0 349.475 1.702 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000269109472 443200356 /nfs/dbraw/zinc/20/03/56/443200356.db2.gz NCVFVYPIRCJVFD-SFHVURJKSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@H](C[NH2+]Cc1nccn1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000190952629 443214368 /nfs/dbraw/zinc/21/43/68/443214368.db2.gz ZTSDVROONBGJMC-QGZVFWFLSA-N 2 0 327.476 1.845 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000262945505 443217440 /nfs/dbraw/zinc/21/74/40/443217440.db2.gz ARCDRHKOIIYJMU-KYJSFNMBSA-N 2 0 346.475 1.038 20 0 EDADRP CN1CCN(C)[C@H](c2noc(-c3cc(-n4ccnc4)ccn3)n2)C1 ZINC000350051710 319040789 /nfs/dbraw/zinc/04/07/89/319040789.db2.gz YFECVIOFBULRAX-AWEZNQCLSA-N 2 0 325.376 1.236 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccccc1C[NH+]1CCCC1 ZINC000269247960 443249396 /nfs/dbraw/zinc/24/93/96/443249396.db2.gz VYVBNPCAXNYHFA-SFHVURJKSA-N 2 0 331.460 1.667 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000382643492 319124374 /nfs/dbraw/zinc/12/43/74/319124374.db2.gz GEQMCKUCJARFKT-ICSRJNTNSA-N 2 0 349.519 1.522 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCC2)ccc1C[NH+](C)C ZINC000411249097 319175126 /nfs/dbraw/zinc/17/51/26/319175126.db2.gz YTJJXQJNEAXJKQ-UHFFFAOYSA-N 2 0 332.448 1.207 20 0 EDADRP C[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269261930 443256353 /nfs/dbraw/zinc/25/63/53/443256353.db2.gz MXGBCAFRAKQRQD-FUHWJXTLSA-N 2 0 331.460 1.488 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000413921119 319303400 /nfs/dbraw/zinc/30/34/00/319303400.db2.gz NYPJFIIUILSTLA-MRXNPFEDSA-N 2 0 341.496 1.452 20 0 EDADRP C[N@@H+](Cc1nc2ccccc2s1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414682239 319341661 /nfs/dbraw/zinc/34/16/61/319341661.db2.gz RAVWOFCUECOUQI-CYBMUJFWSA-N 2 0 332.473 1.925 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692707 319343381 /nfs/dbraw/zinc/34/33/81/319343381.db2.gz KWRDEEQFKNCXQR-VQIMIIECSA-N 2 0 345.487 1.556 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](C)[NH2+]C ZINC000415237471 319355285 /nfs/dbraw/zinc/35/52/85/319355285.db2.gz IPJGTRBNKOTEHT-AWEZNQCLSA-N 2 0 349.479 1.567 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000415243259 319356554 /nfs/dbraw/zinc/35/65/54/319356554.db2.gz VUMHREWUQCVJGH-CQSZACIVSA-N 2 0 334.464 1.580 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415852998 319377972 /nfs/dbraw/zinc/37/79/72/319377972.db2.gz SFCLDTWJJICXTP-BBRMVZONSA-N 2 0 346.475 1.438 20 0 EDADRP Cc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)ccc1-n1cncn1 ZINC000185874159 443272797 /nfs/dbraw/zinc/27/27/97/443272797.db2.gz ZAJCQNIHMXTXNE-QGZVFWFLSA-N 2 0 342.491 1.691 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])C(C)C)CC2)c1 ZINC000269303833 443274910 /nfs/dbraw/zinc/27/49/10/443274910.db2.gz SBEAYZKJYJJTJM-GOSISDBHSA-N 2 0 332.492 1.607 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000185810012 443261969 /nfs/dbraw/zinc/26/19/69/443261969.db2.gz GHXWATWAXYEQOC-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000186037670 443301730 /nfs/dbraw/zinc/30/17/30/443301730.db2.gz UTGUAHRJJPQUPB-ZBFHGGJFSA-N 2 0 337.489 1.799 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)Cc1ccccc1 ZINC000416825410 319463616 /nfs/dbraw/zinc/46/36/16/319463616.db2.gz AXPUFJYDVWVSOZ-HKUYNNGSSA-N 2 0 332.492 1.848 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc(F)c1 ZINC000416825278 319463828 /nfs/dbraw/zinc/46/38/28/319463828.db2.gz AQKUKBLQPZTPMY-QWHCGFSZSA-N 2 0 332.370 1.710 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416855247 319467483 /nfs/dbraw/zinc/46/74/83/319467483.db2.gz VVERUVADJMNCSO-SQNIBIBYSA-N 2 0 330.476 1.553 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417369511 319494835 /nfs/dbraw/zinc/49/48/35/319494835.db2.gz SGHWOXHDLMODEB-NVXWUHKLSA-N 2 0 348.491 1.944 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418560000 319504927 /nfs/dbraw/zinc/50/49/27/319504927.db2.gz CVPOLYIHBNBZPD-BZUAXINKSA-N 2 0 326.485 1.399 20 0 EDADRP COCC1(CNC(=O)N(CCC[NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000418650303 319508103 /nfs/dbraw/zinc/50/81/03/319508103.db2.gz WHFTVBAMAJUGCF-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccnn1C ZINC000278615787 443378478 /nfs/dbraw/zinc/37/84/78/443378478.db2.gz FYPLUIULYFGUTK-INIZCTEOSA-N 2 0 328.464 1.678 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000264736597 443398109 /nfs/dbraw/zinc/39/81/09/443398109.db2.gz FVNVLXDHIBLMCP-SJLPKXTDSA-N 2 0 332.492 1.432 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422932363 319738946 /nfs/dbraw/zinc/73/89/46/319738946.db2.gz FPWBUSNTSSZQDZ-CYBMUJFWSA-N 2 0 334.869 1.457 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000279061193 443505361 /nfs/dbraw/zinc/50/53/61/443505361.db2.gz SHZFFJOPSFNDHL-AWEZNQCLSA-N 2 0 327.432 1.478 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423262297 319760180 /nfs/dbraw/zinc/76/01/80/319760180.db2.gz VADIALGBXAJZJJ-KBPBESRZSA-N 2 0 325.478 1.635 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423340305 319765146 /nfs/dbraw/zinc/76/51/46/319765146.db2.gz VWZCTMXDUCHYRO-JFIYKMOQSA-N 2 0 347.507 1.905 20 0 EDADRP Cc1ncc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)n1 ZINC000423387967 319769293 /nfs/dbraw/zinc/76/92/93/319769293.db2.gz MGSPYDXXIOHQPZ-QMTHXVAHSA-N 2 0 331.386 1.580 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCc2ccccc2OC1)N1CC[NH2+]CC1 ZINC000423397803 319771271 /nfs/dbraw/zinc/77/12/71/319771271.db2.gz VARWETHCKMGIIZ-GOEBONIOSA-N 2 0 343.393 1.806 20 0 EDADRP CC(C)(C)N1CC[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000425401220 319837169 /nfs/dbraw/zinc/83/71/69/319837169.db2.gz PTGHQSOGPBBOGJ-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265391926 443625909 /nfs/dbraw/zinc/62/59/09/443625909.db2.gz OLVPKPLFSXJRFE-ZDUSSCGKSA-N 2 0 344.419 1.052 20 0 EDADRP COCCOc1ccccc1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433142907 319971424 /nfs/dbraw/zinc/97/14/24/319971424.db2.gz WCZRNLFLFLWRFJ-UHFFFAOYSA-N 2 0 349.475 1.531 20 0 EDADRP Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1N1C[C@@H](C)[NH+](C)C[C@@H]1C ZINC000443521852 320108279 /nfs/dbraw/zinc/10/82/79/320108279.db2.gz KMGJNNKYPNACOT-QZWWFDLISA-N 2 0 346.523 1.843 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)cc1 ZINC000449384868 320185841 /nfs/dbraw/zinc/18/58/41/320185841.db2.gz OMONBSVUUXWTFI-IBGZPJMESA-N 2 0 325.412 1.894 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000449623045 320195461 /nfs/dbraw/zinc/19/54/61/320195461.db2.gz KYOLLRKDFLXXIA-CABCVRRESA-N 2 0 325.403 1.997 20 0 EDADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453644333 320266454 /nfs/dbraw/zinc/26/64/54/320266454.db2.gz MHXCTBMUYXBMBR-MRXNPFEDSA-N 2 0 332.448 1.242 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457472871 320327178 /nfs/dbraw/zinc/32/71/78/320327178.db2.gz XWARRJKRLHQGQC-INIZCTEOSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCCC[C@@H]1C ZINC000457717519 320333271 /nfs/dbraw/zinc/33/32/71/320333271.db2.gz UULVYYVMPIELEM-VVLHAWIVSA-N 2 0 340.512 1.346 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000458710109 320339035 /nfs/dbraw/zinc/33/90/35/320339035.db2.gz DRKREUQTZGLYLC-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711511 320339235 /nfs/dbraw/zinc/33/92/35/320339235.db2.gz FOYGQIWKYMZPNG-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1[C@H](N2CCOCC2)CCN1C(=O)NCc1ccn2ccnc2c1 ZINC000290899144 443705417 /nfs/dbraw/zinc/70/54/17/443705417.db2.gz CGAFYZRCFHXJKO-GDBMZVCRSA-N 2 0 343.431 1.339 20 0 EDADRP O[C@H](CNC1CC[NH+](C2CC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000298228560 443725954 /nfs/dbraw/zinc/72/59/54/443725954.db2.gz BDGGIOHYOULRPJ-HXUWFJFHSA-N 2 0 329.488 1.622 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000283807580 443727320 /nfs/dbraw/zinc/72/73/20/443727320.db2.gz ATDVICIUXPWWMG-AWEZNQCLSA-N 2 0 328.416 1.660 20 0 EDADRP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1ccn2ccnc2c1 ZINC000288261478 443823293 /nfs/dbraw/zinc/82/32/93/443823293.db2.gz WVCMCDCNTJAFHW-HOCLYGCPSA-N 2 0 343.431 1.339 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc12 ZINC000530248377 320617940 /nfs/dbraw/zinc/61/79/40/320617940.db2.gz KJWPUIDUDVFDBQ-KRWDZBQOSA-N 2 0 343.475 1.867 20 0 EDADRP CN(C)C(=O)COc1ccccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292786326 443843244 /nfs/dbraw/zinc/84/32/44/443843244.db2.gz LYLZUKPQVSHZTF-IBGZPJMESA-N 2 0 331.460 1.681 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCCC[N@@H+](C)C(C)C)cn2ccnc12 ZINC000292951927 443887038 /nfs/dbraw/zinc/88/70/38/443887038.db2.gz FFIJLJHBUIMCOQ-UHFFFAOYSA-N 2 0 331.420 1.428 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccc2c[nH+]cn2c1 ZINC000285227947 443903791 /nfs/dbraw/zinc/90/37/91/443903791.db2.gz KJKMJFXKWHIPCA-MSOLQXFVSA-N 2 0 342.443 1.832 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293259594 443965708 /nfs/dbraw/zinc/96/57/08/443965708.db2.gz ITBHTGUSOYCFFI-UHFFFAOYSA-N 2 0 344.459 1.560 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(F)c[nH]1 ZINC000293273618 443969071 /nfs/dbraw/zinc/96/90/71/443969071.db2.gz CELIUGFEDCEAGE-UHFFFAOYSA-N 2 0 331.395 1.491 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C/C[NH+](C)C ZINC000285610454 444047024 /nfs/dbraw/zinc/04/70/24/444047024.db2.gz UZGCPFFSYSVSCM-AWOXUWAMSA-N 2 0 333.480 1.379 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000555341198 320966001 /nfs/dbraw/zinc/96/60/01/320966001.db2.gz NFSJYDHYCHIVJI-UHFFFAOYSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000557139999 321000376 /nfs/dbraw/zinc/00/03/76/321000376.db2.gz XFTXRXFNDXNKON-HZPDHXFCSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000563093298 321094800 /nfs/dbraw/zinc/09/48/00/321094800.db2.gz ZUYQUBSSUITHFU-YOEHRIQHSA-N 2 0 333.480 1.610 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563091932 321094807 /nfs/dbraw/zinc/09/48/07/321094807.db2.gz GQXJAEMXTOZOBX-BQFCYCMXSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563091934 321094817 /nfs/dbraw/zinc/09/48/17/321094817.db2.gz GQXJAEMXTOZOBX-LZLYRXPVSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1=CC[N@H+](C)CC1 ZINC000563093527 321095145 /nfs/dbraw/zinc/09/51/45/321095145.db2.gz SUGKTPCTNZGMHI-KBXCAEBGSA-N 2 0 328.460 1.905 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139089 321098331 /nfs/dbraw/zinc/09/83/31/321098331.db2.gz VJCBLBSEDRTKLQ-WOJBJXKFSA-N 2 0 347.503 1.188 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)C1 ZINC000563422474 321110660 /nfs/dbraw/zinc/11/06/60/321110660.db2.gz DOLIIETUIKTXJL-QZTJIDSGSA-N 2 0 333.476 1.757 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000564432075 321131320 /nfs/dbraw/zinc/13/13/20/321131320.db2.gz WXOBRZUURUWBGF-WMZOPIPTSA-N 2 0 346.475 1.138 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565042035 321166080 /nfs/dbraw/zinc/16/60/80/321166080.db2.gz ZEMABTMBJLRZES-OFQRWUPVSA-N 2 0 348.466 1.882 20 0 EDADRP O[C@H](Cn1cccn1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289257677 444089075 /nfs/dbraw/zinc/08/90/75/444089075.db2.gz CVXJGMGCUXYOKL-INIZCTEOSA-N 2 0 337.427 1.614 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000565360878 321183425 /nfs/dbraw/zinc/18/34/25/321183425.db2.gz CADGWNUHLBQPLH-HZPDHXFCSA-N 2 0 337.508 1.914 20 0 EDADRP Cn1cnc(CCNC(=O)[C@@H](c2ccccc2)N2CCSCC2)c1 ZINC000565701717 321198763 /nfs/dbraw/zinc/19/87/63/321198763.db2.gz OEGYWGJOFJGTCN-QGZVFWFLSA-N 2 0 344.484 1.869 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000566009861 321210847 /nfs/dbraw/zinc/21/08/47/321210847.db2.gz OZJBAECWWLKTJI-QBYUYEEZSA-N 2 0 346.475 1.180 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000568160927 321277543 /nfs/dbraw/zinc/27/75/43/321277543.db2.gz HRKOOTHJOOQWLL-HRCADAONSA-N 2 0 337.851 1.138 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568396851 321289966 /nfs/dbraw/zinc/28/99/66/321289966.db2.gz YVBNHUWWWMDWIM-HUUCEWRRSA-N 2 0 329.510 1.041 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1nc(CN2CCC(C)CC2)cs1 ZINC000568744684 321304402 /nfs/dbraw/zinc/30/44/02/321304402.db2.gz BKBXVOHRVMOTAG-CYBMUJFWSA-N 2 0 326.466 1.677 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000568998560 321314115 /nfs/dbraw/zinc/31/41/15/321314115.db2.gz XPDDWZBOEXTPKH-CQSZACIVSA-N 2 0 325.419 1.648 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000569248442 321322797 /nfs/dbraw/zinc/32/27/97/321322797.db2.gz PNFYPOWKQQQELP-IPMKNSEASA-N 2 0 339.524 1.264 20 0 EDADRP C[C@@]1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028718 321334669 /nfs/dbraw/zinc/33/46/69/321334669.db2.gz KSJUXYVTUWDXGV-PKOBYXMFSA-N 2 0 330.476 1.950 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000570549608 321347011 /nfs/dbraw/zinc/34/70/11/321347011.db2.gz QTHWFOIDLINVJK-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC12CCOCC2 ZINC000571088794 321370413 /nfs/dbraw/zinc/37/04/13/321370413.db2.gz QSEBIGKUHSYMFZ-WBVHZDCISA-N 2 0 329.444 1.087 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C3([NH3+])CCC3)c2)CC1 ZINC000571204016 321376574 /nfs/dbraw/zinc/37/65/74/321376574.db2.gz FDXGHUVGURKGOZ-UHFFFAOYSA-N 2 0 330.432 1.204 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000571670796 321396302 /nfs/dbraw/zinc/39/63/02/321396302.db2.gz PJAIYZGVNRGISC-OKZBNKHCSA-N 2 0 328.460 1.640 20 0 EDADRP CN(C)c1ncccc1O[C@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000289322777 444107753 /nfs/dbraw/zinc/10/77/53/444107753.db2.gz KEBGYXKTNWQVLY-INIZCTEOSA-N 2 0 340.427 1.900 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000574114410 321471097 /nfs/dbraw/zinc/47/10/97/321471097.db2.gz RFMKOVCVRRSNEC-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP CC1=CC[N@H+](CCNc2cc(N3CCC[C@@H](CO)C3)ncn2)CC1 ZINC000302170780 444207301 /nfs/dbraw/zinc/20/73/01/444207301.db2.gz UHWIOLFEVQAULW-MRXNPFEDSA-N 2 0 331.464 1.749 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000289822610 444207546 /nfs/dbraw/zinc/20/75/46/444207546.db2.gz CYGXJKCRUSEXDY-RBUKOAKNSA-N 2 0 344.503 1.935 20 0 EDADRP OC[C@H]1CCCN(c2cc(N3CCC([NH+]4CCCC4)CC3)ncn2)C1 ZINC000301541628 444178169 /nfs/dbraw/zinc/17/81/69/444178169.db2.gz SFUVXXWLXIHYHJ-INIZCTEOSA-N 2 0 345.491 1.750 20 0 EDADRP CNc1cc(N2CCC[C@@H]2CNc2cc[nH+]cc2C(N)=O)ncn1 ZINC000302020971 444200872 /nfs/dbraw/zinc/20/08/72/444200872.db2.gz HZRORFHPJICUIR-LLVKDONJSA-N 2 0 327.392 1.093 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000303032696 444232292 /nfs/dbraw/zinc/23/22/92/444232292.db2.gz XRNDDDIJHOYINR-MHORFTMASA-N 2 0 337.508 1.817 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000577769409 321681723 /nfs/dbraw/zinc/68/17/23/321681723.db2.gz KHLIPWPCSGFBCY-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426397 444291707 /nfs/dbraw/zinc/29/17/07/444291707.db2.gz PDONYXNHBNXGQC-RDJZCZTQSA-N 2 0 331.460 1.392 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000297861376 444342848 /nfs/dbraw/zinc/34/28/48/444342848.db2.gz PYAMCKHTKXWYFX-ZWKOTPCHSA-N 2 0 348.491 1.435 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH+](C)C)C1)CC(C)C ZINC000340000267 444351654 /nfs/dbraw/zinc/35/16/54/444351654.db2.gz ICOSGKFHNUEDOO-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCC[NH+]3CCC3)CCCC2)CC1 ZINC000337694524 444357486 /nfs/dbraw/zinc/35/74/86/444357486.db2.gz PEXDZRTXHTVAHN-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000337696675 444359004 /nfs/dbraw/zinc/35/90/04/444359004.db2.gz QSLZQRWAMNHBRN-ZWKOTPCHSA-N 2 0 337.508 1.822 20 0 EDADRP COc1cc(C[NH2+]Cc2cnc(N(C)C)n2C)cc(OC)c1OC ZINC000324910126 444359399 /nfs/dbraw/zinc/35/93/99/444359399.db2.gz JJSZOHMSLUAWQW-UHFFFAOYSA-N 2 0 334.420 1.802 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000298070751 444405195 /nfs/dbraw/zinc/40/51/95/444405195.db2.gz KACBLOLNJBBVMV-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP COC[C@H]1CCN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000337878257 444446263 /nfs/dbraw/zinc/44/62/63/444446263.db2.gz WDXAVGGHUWQOHX-INIZCTEOSA-N 2 0 328.501 1.280 20 0 EDADRP O=C(Nc1ccccc1)NC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000579354708 321924987 /nfs/dbraw/zinc/92/49/87/321924987.db2.gz JONOTAVWPXYNTE-UHFFFAOYSA-N 2 0 331.464 1.178 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000340564117 444440114 /nfs/dbraw/zinc/44/01/14/444440114.db2.gz UNAMKIULJSOQBG-MRXNPFEDSA-N 2 0 344.459 1.343 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1CCOCC[NH+]1CCN(C)C[C@@H]1CC ZINC000580066414 322004615 /nfs/dbraw/zinc/00/46/15/322004615.db2.gz HFFKLBHWIQZRAZ-ROUUACIJSA-N 2 0 326.529 1.055 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@@H](C)O1 ZINC000580305833 322033731 /nfs/dbraw/zinc/03/37/31/322033731.db2.gz WUTIADCHDISGNJ-IIDMSEBBSA-N 2 0 331.460 1.770 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000580547819 322064903 /nfs/dbraw/zinc/06/49/03/322064903.db2.gz WXUMHZYIMSKAIF-HKUYNNGSSA-N 2 0 328.460 1.372 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000580549966 322065247 /nfs/dbraw/zinc/06/52/47/322065247.db2.gz WVPPKZSVWCGGOP-UHFFFAOYSA-N 2 0 344.503 1.694 20 0 EDADRP COc1cc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c2ccccc2n1 ZINC000580704051 322084453 /nfs/dbraw/zinc/08/44/53/322084453.db2.gz CIEFVIPUIFKJER-CQSZACIVSA-N 2 0 343.431 1.028 20 0 EDADRP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000580960706 322118459 /nfs/dbraw/zinc/11/84/59/322118459.db2.gz ANYSHKFMTFUSAH-OKZBNKHCSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000581061809 322130649 /nfs/dbraw/zinc/13/06/49/322130649.db2.gz PAVZFWYZSJUUTM-OAHLLOKOSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@H](C(=O)NCCC1=CCCCC1)N1CCN(c2ncc[nH]2)CC1 ZINC000581108503 322135428 /nfs/dbraw/zinc/13/54/28/322135428.db2.gz NSQADVLTXHQMLP-OAHLLOKOSA-N 2 0 331.464 1.927 20 0 EDADRP c1ccc(-c2noc(C3CC[NH+](CCN4CC[NH2+]CC4)CC3)n2)nc1 ZINC000581432408 322177303 /nfs/dbraw/zinc/17/73/03/322177303.db2.gz VUEZTLPKHJXVMF-UHFFFAOYSA-N 2 0 342.447 1.216 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000581676473 322208255 /nfs/dbraw/zinc/20/82/55/322208255.db2.gz YMIOHHANYHYHDM-LJQANCHMSA-N 2 0 346.519 1.508 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1)C(C)C ZINC000340772707 444505567 /nfs/dbraw/zinc/50/55/67/444505567.db2.gz JUWDIJHPOCRGDR-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000340898827 444564973 /nfs/dbraw/zinc/56/49/73/444564973.db2.gz PMHKGAFJXYBHAU-SJLPKXTDSA-N 2 0 334.508 1.288 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000343766232 444575466 /nfs/dbraw/zinc/57/54/66/444575466.db2.gz DOBBMQVEEYFTOD-GOOCMWNKSA-N 2 0 345.443 1.380 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](O)C[C@H]3C)CC2)cc1 ZINC000340919737 444576496 /nfs/dbraw/zinc/57/64/96/444576496.db2.gz WIRMKVMNLQASOM-IEBWSBKVSA-N 2 0 345.487 1.484 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000340949139 444591402 /nfs/dbraw/zinc/59/14/02/444591402.db2.gz CRCAVIURFBNEHT-WBVHZDCISA-N 2 0 348.491 1.909 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338264084 444596740 /nfs/dbraw/zinc/59/67/40/444596740.db2.gz VMYSZAJQKNXQSY-INIZCTEOSA-N 2 0 331.526 1.322 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000333322049 444657624 /nfs/dbraw/zinc/65/76/24/444657624.db2.gz NDOZBGJOHVLCDN-CJNGLKHVSA-N 2 0 330.432 1.727 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000341096200 444672348 /nfs/dbraw/zinc/67/23/48/444672348.db2.gz AJOZTLOXHOWAJY-KRWDZBQOSA-N 2 0 348.491 1.287 20 0 EDADRP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@@H]1CCSC1 ZINC000343966983 444699672 /nfs/dbraw/zinc/69/96/72/444699672.db2.gz YYSRNXTZIUBTKF-HZPDHXFCSA-N 2 0 325.522 1.614 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@@H]3O)CC1)C2 ZINC000333882377 444707441 /nfs/dbraw/zinc/70/74/41/444707441.db2.gz WORSHLYCMSTJPQ-NEWSRXKRSA-N 2 0 346.471 1.966 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000343992693 444714950 /nfs/dbraw/zinc/71/49/50/444714950.db2.gz NGUYZQHXEMOXQG-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCN[C@@H](c1nccn1C)C1CC1 ZINC000342505208 444721365 /nfs/dbraw/zinc/72/13/65/444721365.db2.gz SGGDLSWYOLBPSN-HZPDHXFCSA-N 2 0 333.480 1.404 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCC2)C[C@@H]1CC ZINC000342571662 444749247 /nfs/dbraw/zinc/74/92/47/444749247.db2.gz TYTVGPICDICZJS-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341280252 444760082 /nfs/dbraw/zinc/76/00/82/444760082.db2.gz UHZXGROHFCPEQQ-UHFFFAOYSA-N 3 0 332.492 1.340 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000341423545 444822760 /nfs/dbraw/zinc/82/27/60/444822760.db2.gz LEDLLJMDTZNISY-SJORKVTESA-N 2 0 326.529 1.497 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000337139362 444958626 /nfs/dbraw/zinc/95/86/26/444958626.db2.gz PXPOSEGXXTYBHH-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000337183816 444976715 /nfs/dbraw/zinc/97/67/15/444976715.db2.gz NKFDWLDJLIPSPP-UHFFFAOYSA-N 2 0 334.464 1.474 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341668058 444940759 /nfs/dbraw/zinc/94/07/59/444940759.db2.gz VGDSUUDCTFGGSR-IRXDYDNUSA-N 2 0 325.497 1.581 20 0 EDADRP CC1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000339105464 445035521 /nfs/dbraw/zinc/03/55/21/445035521.db2.gz LTZFGDYOLAWXOX-UHFFFAOYSA-N 2 0 331.464 1.836 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c(C)n1 ZINC000341833614 445024854 /nfs/dbraw/zinc/02/48/54/445024854.db2.gz HRHDGJIREJKPLB-GDZNZVCISA-N 2 0 344.459 1.826 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000343016603 445007765 /nfs/dbraw/zinc/00/77/65/445007765.db2.gz VHVLLRTWQLNROT-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)NCCF ZINC000337377380 445054066 /nfs/dbraw/zinc/05/40/66/445054066.db2.gz HISFOKKWBWKVDD-LEUOFYLZSA-N 2 0 333.451 1.961 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C(=O)NCCF ZINC000337377382 445054808 /nfs/dbraw/zinc/05/48/08/445054808.db2.gz HISFOKKWBWKVDD-XOYOTBSWSA-N 2 0 333.451 1.961 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000345582054 445191900 /nfs/dbraw/zinc/19/19/00/445191900.db2.gz GMUJAYHJNOMSSX-RBUKOAKNSA-N 2 0 345.487 1.736 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000337572689 445144115 /nfs/dbraw/zinc/14/41/15/445144115.db2.gz DJZDUWWAXOSOLZ-UHFFFAOYSA-N 2 0 330.476 1.653 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)CC1 ZINC000339549148 445148967 /nfs/dbraw/zinc/14/89/67/445148967.db2.gz WHHGXRMJNOIISV-KZNAEPCWSA-N 2 0 334.508 1.987 20 0 EDADRP CC(CN1C[C@@H]2CCC[NH+]2C[C@@H]1C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000346645763 445221500 /nfs/dbraw/zinc/22/15/00/445221500.db2.gz PXJHLQPBRHDSSQ-MUGJNUQGSA-N 2 0 334.552 1.960 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[NH+](C)[C@H](C)CC)CC[N@@H+]1CCOC ZINC000347073577 445231028 /nfs/dbraw/zinc/23/10/28/445231028.db2.gz RRAALPKNOZHSCT-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CN(C(=O)c1ccc(CN2CCOCC2)cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000343522265 445238160 /nfs/dbraw/zinc/23/81/60/445238160.db2.gz IHJHTVBUFTXTKN-MRXNPFEDSA-N 2 0 332.448 1.080 20 0 EDADRP O[C@@H](Cn1cccn1)C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348330732 445258128 /nfs/dbraw/zinc/25/81/28/445258128.db2.gz PIKQFNJESCNZGY-GBESFXJTSA-N 2 0 326.444 1.308 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000348029262 445262743 /nfs/dbraw/zinc/26/27/43/445262743.db2.gz RJUOZEQBQVTCLQ-ROUUACIJSA-N 2 0 337.508 1.819 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000348121252 445279878 /nfs/dbraw/zinc/27/98/78/445279878.db2.gz BYJDWCXPWNHZOU-YLFCFFPRSA-N 2 0 338.496 1.364 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000354657597 445329317 /nfs/dbraw/zinc/32/93/17/445329317.db2.gz QIEUCGIHFOZGJG-QGZVFWFLSA-N 2 0 339.528 1.186 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000354682632 445339358 /nfs/dbraw/zinc/33/93/58/445339358.db2.gz VLNSYUMZIHFOMA-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848478 445342302 /nfs/dbraw/zinc/34/23/02/445342302.db2.gz DFNRWRQDKOOHDJ-NWDGAFQWSA-N 2 0 348.838 1.528 20 0 EDADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000351861405 445346122 /nfs/dbraw/zinc/34/61/22/445346122.db2.gz LDGNPSUWZMKNQC-ULQDDVLXSA-N 2 0 330.476 1.393 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351884990 445355028 /nfs/dbraw/zinc/35/50/28/445355028.db2.gz CLERIEVWKYOWEW-RDJZCZTQSA-N 2 0 340.512 1.469 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000359681032 445372744 /nfs/dbraw/zinc/37/27/44/445372744.db2.gz SWGJSGLQXPQSNJ-IJXRJRJASA-N 2 0 347.503 1.837 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000359742456 445402633 /nfs/dbraw/zinc/40/26/33/445402633.db2.gz JLMVLRAAODFXJT-NVXWUHKLSA-N 2 0 325.497 1.866 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000362479759 445404846 /nfs/dbraw/zinc/40/48/46/445404846.db2.gz OPMBDCNAKYKQMI-YJBOKZPZSA-N 2 0 325.497 1.722 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCCC[NH+]1CCOCC1 ZINC000348942310 445450412 /nfs/dbraw/zinc/45/04/12/445450412.db2.gz SDFZNFTVRKDPQY-UHFFFAOYSA-N 2 0 345.487 1.663 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000362721594 445518538 /nfs/dbraw/zinc/51/85/38/445518538.db2.gz BQSFPAPLAGYTGI-OWSLCNJRSA-N 2 0 336.524 1.201 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000357287917 445526766 /nfs/dbraw/zinc/52/67/66/445526766.db2.gz KLMJCAZTSAROJG-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746247 445529731 /nfs/dbraw/zinc/52/97/31/445529731.db2.gz SYJPCUCGWWNBED-QAPCUYQASA-N 2 0 333.476 1.831 20 0 EDADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362672326 445491291 /nfs/dbraw/zinc/49/12/91/445491291.db2.gz MGULTGLYSKCZMJ-INIZCTEOSA-N 2 0 330.432 1.041 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802706 445556718 /nfs/dbraw/zinc/55/67/18/445556718.db2.gz VEMCCYRFPPTKFZ-GDBMZVCRSA-N 2 0 331.464 1.554 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCC(=O)NC)CC1 ZINC000353439725 445603245 /nfs/dbraw/zinc/60/32/45/445603245.db2.gz INGNDFRCADCQOG-UHFFFAOYSA-N 2 0 332.492 1.787 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000353449649 445606959 /nfs/dbraw/zinc/60/69/59/445606959.db2.gz OCESQCDNXAZUQH-LMSBXDPUSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)CC1 ZINC000358492905 445622418 /nfs/dbraw/zinc/62/24/18/445622418.db2.gz GVEQFAZLALFUAB-MRXNPFEDSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504839 445623335 /nfs/dbraw/zinc/62/33/35/445623335.db2.gz ITLWWARFOMCZMM-LSDHHAIUSA-N 2 0 336.480 1.466 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660465 445638386 /nfs/dbraw/zinc/63/83/86/445638386.db2.gz BZBLLKIPJVKATB-MSOLQXFVSA-N 2 0 348.491 1.179 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000360236078 445646935 /nfs/dbraw/zinc/64/69/35/445646935.db2.gz ZBZIAIJMBKVKRK-OTWHNJEPSA-N 2 0 341.540 1.560 20 0 EDADRP CC1CC[NH+](CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360247429 445655422 /nfs/dbraw/zinc/65/54/22/445655422.db2.gz BRUDUYBLJWKZRP-MRXNPFEDSA-N 2 0 328.526 1.455 20 0 EDADRP C[NH+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000358580343 445660045 /nfs/dbraw/zinc/66/00/45/445660045.db2.gz XKYAMRJVTSDNBF-UAFMIMERSA-N 2 0 331.504 1.799 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000360259773 445663128 /nfs/dbraw/zinc/66/31/28/445663128.db2.gz ZJCYMCGJOKIWIN-CZUORRHYSA-N 2 0 326.510 1.207 20 0 EDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669825 445700804 /nfs/dbraw/zinc/70/08/04/445700804.db2.gz JFNWKYKRCHSYNP-INIZCTEOSA-N 2 0 333.476 1.905 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000363175688 445708096 /nfs/dbraw/zinc/70/80/96/445708096.db2.gz ZMWVCPSHCMHNHY-MRXNPFEDSA-N 2 0 343.537 1.242 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000349931309 445723262 /nfs/dbraw/zinc/72/32/62/445723262.db2.gz HGKRKTCTDFJREA-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349934199 445726312 /nfs/dbraw/zinc/72/63/12/445726312.db2.gz MTFZQLJPPLCXTE-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742690 445730732 /nfs/dbraw/zinc/73/07/32/445730732.db2.gz ADLBRACKZFNQOV-HLLBOEOZSA-N 2 0 340.537 1.692 20 0 EDADRP CC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1(C(=O)OC)CCC1 ZINC000361107503 445749055 /nfs/dbraw/zinc/74/90/55/445749055.db2.gz PYZXMBVVCORLOE-DOTOQJQBSA-N 2 0 337.508 1.866 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000353780756 445752848 /nfs/dbraw/zinc/75/28/48/445752848.db2.gz VEHIXUUYIVEPBV-UHFFFAOYSA-N 2 0 342.443 1.897 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)N2CCC[C@H]2C)C1 ZINC000350180074 445787165 /nfs/dbraw/zinc/78/71/65/445787165.db2.gz CYAKIKNUTMGLSL-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc21 ZINC000350183961 445789378 /nfs/dbraw/zinc/78/93/78/445789378.db2.gz LBRCDQBEMBIPPX-UHFFFAOYSA-N 2 0 329.448 1.513 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350217433 445794700 /nfs/dbraw/zinc/79/47/00/445794700.db2.gz IBSMJZLURJUFNP-UHFFFAOYSA-N 2 0 333.476 1.927 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000350284598 445806052 /nfs/dbraw/zinc/80/60/52/445806052.db2.gz DYCKVMBYNRRECL-CABCVRRESA-N 2 0 342.484 1.042 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358846558 445807666 /nfs/dbraw/zinc/80/76/66/445807666.db2.gz KTOGAEATZCUESB-NVXWUHKLSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000359013583 445887986 /nfs/dbraw/zinc/88/79/86/445887986.db2.gz BKGHXROTFNQDOI-AYBZRNKSSA-N 2 0 346.475 1.015 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000350617239 445854959 /nfs/dbraw/zinc/85/49/59/445854959.db2.gz BLDKQRFAIFYWQR-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000358941128 445858527 /nfs/dbraw/zinc/85/85/27/445858527.db2.gz XVOYKZSUGYYQTA-LSDHHAIUSA-N 2 0 339.505 1.943 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000356644508 445909945 /nfs/dbraw/zinc/90/99/45/445909945.db2.gz AMNOBLUNMICBQI-CVEARBPZSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH+](C)C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000369212213 445996216 /nfs/dbraw/zinc/99/62/16/445996216.db2.gz PLCZISUVUSCHNW-UZLBHIALSA-N 2 0 344.503 1.142 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000583438994 326073517 /nfs/dbraw/zinc/07/35/17/326073517.db2.gz QWENOQOFKHRSKO-SFHVURJKSA-N 2 0 346.475 1.399 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000583635701 326109443 /nfs/dbraw/zinc/10/94/43/326109443.db2.gz RGIHDVPKICPKOH-JZXOWHBKSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000583802065 326142091 /nfs/dbraw/zinc/14/20/91/326142091.db2.gz QLIHRZOMVHAKNK-XLAORIBOSA-N 2 0 330.476 1.914 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000583811675 326144725 /nfs/dbraw/zinc/14/47/25/326144725.db2.gz PAJUQGGPZHBQFG-HZPDHXFCSA-N 2 0 334.468 1.163 20 0 EDADRP CCOC(=O)COCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000351478095 446079739 /nfs/dbraw/zinc/07/97/39/446079739.db2.gz OVDJPZMDRRYGCV-UHFFFAOYSA-N 2 0 328.453 1.000 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1CC[NH+](CCOC)C1)[N@H+](C)Cc1ccccc1 ZINC000354286254 446082008 /nfs/dbraw/zinc/08/20/08/446082008.db2.gz XGBOWLXDECORPK-QZTJIDSGSA-N 2 0 333.476 1.734 20 0 EDADRP CO[C@@H]1CCN(C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)[C@@H](C[NH3+])C1 ZINC000359250152 446084182 /nfs/dbraw/zinc/08/41/82/446084182.db2.gz VUTCQAXBEKZOHP-ZTFGCOKTSA-N 2 0 331.460 1.398 20 0 EDADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1ccn(C3CC[NH+](C)CC3)n1)CC2 ZINC000369652784 446139517 /nfs/dbraw/zinc/13/95/17/446139517.db2.gz FEELMRCDXCJMHD-ZBFHGGJFSA-N 2 0 346.479 1.850 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000369660728 446140966 /nfs/dbraw/zinc/14/09/66/446140966.db2.gz LNAKATVIYOENNR-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000359351313 446167765 /nfs/dbraw/zinc/16/77/65/446167765.db2.gz ZBHUDZZSFUQMQU-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375010 446175143 /nfs/dbraw/zinc/17/51/43/446175143.db2.gz DCZCAVNEJBLMFT-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@@H](O)CN1CCN(C(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000373288292 446145003 /nfs/dbraw/zinc/14/50/03/446145003.db2.gz YJHHSTIGJXLZOI-HZPDHXFCSA-N 2 0 349.479 1.167 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(C[NH3+])cc2)CCN1C1CC[NH+](C)CC1 ZINC000373424320 446212027 /nfs/dbraw/zinc/21/20/27/446212027.db2.gz ZPCPTHOVPOCFCQ-OAHLLOKOSA-N 3 0 330.476 1.386 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453635 446215844 /nfs/dbraw/zinc/21/58/44/446215844.db2.gz XVMDOGJHDRSECT-LSDHHAIUSA-N 2 0 327.469 1.060 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@H](C)[NH+]1CCO ZINC000373550429 446257829 /nfs/dbraw/zinc/25/78/29/446257829.db2.gz VMUUPXCZMFGKCR-JUVOFCAFSA-N 2 0 338.496 1.100 20 0 EDADRP c1[nH]c2nccnc2c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000365665956 446294110 /nfs/dbraw/zinc/29/41/10/446294110.db2.gz YAKHDYQSDWSKNY-UHFFFAOYSA-N 2 0 329.448 1.844 20 0 EDADRP CN1CCc2ncnc(N3CCC(OCC[NH+]4CCCC4)CC3)c2C1 ZINC000365709712 446309931 /nfs/dbraw/zinc/30/99/31/446309931.db2.gz FHBBPXAUMXGNTD-UHFFFAOYSA-N 2 0 345.491 1.546 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000373743226 446321053 /nfs/dbraw/zinc/32/10/53/446321053.db2.gz UULLSYIUTGLAIX-GOSISDBHSA-N 2 0 330.476 1.857 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000366745313 446332351 /nfs/dbraw/zinc/33/23/51/446332351.db2.gz MNQHSHJQWFMQDM-FGTMMUONSA-N 2 0 337.508 1.330 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H](C[NH3+])C3CC3)CCCC2)CC1 ZINC000417548951 446365400 /nfs/dbraw/zinc/36/54/00/446365400.db2.gz RREIDIYBBQXTIW-INIZCTEOSA-N 2 0 338.496 1.447 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417667720 446369382 /nfs/dbraw/zinc/36/93/82/446369382.db2.gz HJYNZUADLFSDCR-QAETUUGQSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000370671442 446380159 /nfs/dbraw/zinc/38/01/59/446380159.db2.gz RQKMLYHSRJGMSC-KZNAEPCWSA-N 2 0 337.508 1.868 20 0 EDADRP COC[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000370685336 446386998 /nfs/dbraw/zinc/38/69/98/446386998.db2.gz ZWPKFXCUUYOOLC-FUHWJXTLSA-N 2 0 325.497 1.186 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000417931558 446390033 /nfs/dbraw/zinc/39/00/33/446390033.db2.gz LMKWVSNSYAPSNW-CABCVRRESA-N 2 0 333.480 1.904 20 0 EDADRP COC(=O)c1cc(C)nc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000376228485 446390933 /nfs/dbraw/zinc/39/09/33/446390933.db2.gz LPOOBMZNEDYRTL-HNNXBMFYSA-N 2 0 347.463 1.176 20 0 EDADRP COC(=O)c1cc(C)nc(N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000376228486 446391235 /nfs/dbraw/zinc/39/12/35/446391235.db2.gz LPOOBMZNEDYRTL-OAHLLOKOSA-N 2 0 347.463 1.176 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)cc1F ZINC000417939831 446393602 /nfs/dbraw/zinc/39/36/02/446393602.db2.gz WQEPIOZHSTYROQ-INIZCTEOSA-N 2 0 334.439 1.923 20 0 EDADRP C[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)C[NH+]1CCN(C)CC1 ZINC000370770329 446428958 /nfs/dbraw/zinc/42/89/58/446428958.db2.gz CNZIYBIOROWKHT-MRXNPFEDSA-N 2 0 347.507 1.026 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)CC[NH2+]CC1 ZINC000423161285 446442884 /nfs/dbraw/zinc/44/28/84/446442884.db2.gz IPLGKYWCLBNHRZ-RRFJBIMHSA-N 2 0 337.464 1.051 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000418155858 446443482 /nfs/dbraw/zinc/44/34/82/446443482.db2.gz ABYBRKIIVJXTIB-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H]1C ZINC000418004677 446412416 /nfs/dbraw/zinc/41/24/16/446412416.db2.gz ZVJATXFGTODJHH-MPGHIAIKSA-N 2 0 346.475 1.145 20 0 EDADRP CN1CCc2ncnc(NCc3ccnc(N4CCCCC4)c3)c2C1 ZINC000370744367 446413319 /nfs/dbraw/zinc/41/33/19/446413319.db2.gz DVYIUNGXHDPJKY-UHFFFAOYSA-N 2 0 338.459 2.462 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000418029190 446420068 /nfs/dbraw/zinc/42/00/68/446420068.db2.gz ZEOHKPMBXUKYPF-ARFHVFGLSA-N 2 0 326.485 1.114 20 0 EDADRP CC[NH2+]CC1CCN(CC(=O)c2[nH]c(C)c(C(=O)OC)c2C)CC1 ZINC000420291252 446454160 /nfs/dbraw/zinc/45/41/60/446454160.db2.gz NBAFHOVIJPNYMO-UHFFFAOYSA-N 2 0 335.448 1.922 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000423211121 446455377 /nfs/dbraw/zinc/45/53/77/446455377.db2.gz YAPZNDWUSYAACF-GOSISDBHSA-N 3 0 330.520 1.577 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418192069 446455443 /nfs/dbraw/zinc/45/54/43/446455443.db2.gz YFRSUOPNRSSVJB-VYDXJSESSA-N 2 0 334.464 1.274 20 0 EDADRP CCn1cc(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000367011150 446460490 /nfs/dbraw/zinc/46/04/90/446460490.db2.gz VNJSDLAXOUBNDC-UHFFFAOYSA-N 2 0 333.524 1.936 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000420298431 446461511 /nfs/dbraw/zinc/46/15/11/446461511.db2.gz FHBVNGIISXEVBG-FHWLQOOXSA-N 2 0 345.487 1.156 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000376382314 446465680 /nfs/dbraw/zinc/46/56/80/446465680.db2.gz DAOGJQAMNLWOLO-GOSISDBHSA-N 2 0 330.476 1.306 20 0 EDADRP CCC[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000374931418 446465704 /nfs/dbraw/zinc/46/57/04/446465704.db2.gz IKFOOPRIQFOJPP-KRWDZBQOSA-N 2 0 338.540 1.593 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418278396 446481366 /nfs/dbraw/zinc/48/13/66/446481366.db2.gz LPASTPQIVPTJPT-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423262958 446468453 /nfs/dbraw/zinc/46/84/53/446468453.db2.gz ACLIDKTWBQTQEF-NQBHXWOUSA-N 2 0 328.254 1.716 20 0 EDADRP COC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420307761 446469857 /nfs/dbraw/zinc/46/98/57/446469857.db2.gz MMCZVZFXVVQVFQ-CFVMTHIKSA-N 2 0 331.416 1.471 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000370842246 446474667 /nfs/dbraw/zinc/47/46/67/446474667.db2.gz FUTDJLKHGGGPAV-HZMVEIRTSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000432508898 446477001 /nfs/dbraw/zinc/47/70/01/446477001.db2.gz HCEBLYFJVRZOMC-PKOBYXMFSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000423301919 446480080 /nfs/dbraw/zinc/48/00/80/446480080.db2.gz IRANSAMEEZRLIP-RBSFLKMASA-N 2 0 349.479 1.106 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314389 446480482 /nfs/dbraw/zinc/48/04/82/446480482.db2.gz VSWFSJHRKWYEQF-IEBWSBKVSA-N 2 0 330.476 1.091 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423313590 446484721 /nfs/dbraw/zinc/48/47/21/446484721.db2.gz WZIJFNQCERRXLE-PBHICJAKSA-N 2 0 337.489 1.627 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000420321487 446488021 /nfs/dbraw/zinc/48/80/21/446488021.db2.gz VIKSVMQNODCLMH-VQTJNVASSA-N 2 0 330.520 1.829 20 0 EDADRP [NH3+]CCCn1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000423332990 446490908 /nfs/dbraw/zinc/49/09/08/446490908.db2.gz PPNRWLFIUBVKNN-UHFFFAOYSA-N 2 0 342.447 1.865 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[NH3+] ZINC000418302721 446491501 /nfs/dbraw/zinc/49/15/01/446491501.db2.gz MITREZZUWCXISZ-UHFFFAOYSA-N 2 0 332.370 1.737 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000420324748 446491825 /nfs/dbraw/zinc/49/18/25/446491825.db2.gz HOXZESNTHGPLID-ZBFHGGJFSA-N 2 0 335.492 1.463 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)C1 ZINC000423332651 446492004 /nfs/dbraw/zinc/49/20/04/446492004.db2.gz QWMMJCJPPWAMKI-COXVUDFISA-N 2 0 344.459 1.463 20 0 EDADRP CC(C)(C(=O)NCCCC[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000423328196 446488975 /nfs/dbraw/zinc/48/89/75/446488975.db2.gz LVAZEVUGFFHYBE-KRWDZBQOSA-N 2 0 333.476 1.941 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@H](C(F)(F)F)C1 ZINC000420325718 446493138 /nfs/dbraw/zinc/49/31/38/446493138.db2.gz BRTBWPPSICIZLN-MJBXVCDLSA-N 2 0 333.398 1.719 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418313627 446495404 /nfs/dbraw/zinc/49/54/04/446495404.db2.gz QWNNJBFKHKTLQO-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP Cc1ccc(CNC(=O)[C@@H](C)[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420331105 446501276 /nfs/dbraw/zinc/50/12/76/446501276.db2.gz QPOVLYCWJHHCLL-SJLPKXTDSA-N 2 0 345.487 1.687 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420331180 446501448 /nfs/dbraw/zinc/50/14/48/446501448.db2.gz BSHQIUVPENEEOG-ROUUACIJSA-N 2 0 345.487 1.975 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000423388645 446514208 /nfs/dbraw/zinc/51/42/08/446514208.db2.gz UIOMNGCNCFJCAW-YJBOKZPZSA-N 2 0 333.476 1.674 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418484952 446560848 /nfs/dbraw/zinc/56/08/48/446560848.db2.gz ZSZJARRNOXWOMN-KRWDZBQOSA-N 2 0 333.480 1.545 20 0 EDADRP COc1ccc(OCCC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420385534 446561117 /nfs/dbraw/zinc/56/11/17/446561117.db2.gz SZIUDMMFVFOSCJ-INIZCTEOSA-N 2 0 345.447 1.851 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420384893 446561290 /nfs/dbraw/zinc/56/12/90/446561290.db2.gz SNDAXVMXBVODLG-FUHWJXTLSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H]1CC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000420389441 446565264 /nfs/dbraw/zinc/56/52/64/446565264.db2.gz YJQNJKQFCVLSNV-GJZGRUSLSA-N 2 0 329.444 1.980 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345739 446518971 /nfs/dbraw/zinc/51/89/71/446518971.db2.gz WNQNNFNDOAGYFH-CVEARBPZSA-N 2 0 344.459 1.436 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418388447 446524961 /nfs/dbraw/zinc/52/49/61/446524961.db2.gz VGCQQLWFYGSSQD-AWEZNQCLSA-N 2 0 340.418 1.790 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000418395261 446528016 /nfs/dbraw/zinc/52/80/16/446528016.db2.gz AJADCCPRPHSGHE-ZJPYXAASSA-N 2 0 330.476 1.888 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418402343 446530626 /nfs/dbraw/zinc/53/06/26/446530626.db2.gz ZDNYEBDWYOERMX-APWZRJJASA-N 2 0 348.491 1.120 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418415574 446535913 /nfs/dbraw/zinc/53/59/13/446535913.db2.gz NWEYKSCWYIEABU-IEBWSBKVSA-N 2 0 348.491 1.296 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC1 ZINC000433155802 446539562 /nfs/dbraw/zinc/53/95/62/446539562.db2.gz ZDADKZLJTBDUBI-GOSISDBHSA-N 3 0 336.524 1.667 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2cc(Br)ccc21 ZINC000423444531 446541183 /nfs/dbraw/zinc/54/11/83/446541183.db2.gz XRQLWBRUQLFMHZ-NILFDRSVSA-N 2 0 325.250 1.996 20 0 EDADRP CN(CCOc1ccc(F)cc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433171358 446542807 /nfs/dbraw/zinc/54/28/07/446542807.db2.gz DUIZARAQDHQXIN-UHFFFAOYSA-N 2 0 337.439 1.866 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000411439896 446543637 /nfs/dbraw/zinc/54/36/37/446543637.db2.gz AITDLKQXIVNSPV-AWEZNQCLSA-N 2 0 346.475 1.896 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C[NH3+])CC(C)C)CC2)c1 ZINC000418440887 446544066 /nfs/dbraw/zinc/54/40/66/446544066.db2.gz LGNXNAYLMUXURJ-AWEZNQCLSA-N 2 0 335.452 1.295 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367313 446545442 /nfs/dbraw/zinc/54/54/42/446545442.db2.gz VJQGTUUBAXZIKB-KBPBESRZSA-N 2 0 325.478 1.717 20 0 EDADRP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCOCC[NH3+] ZINC000420368685 446547042 /nfs/dbraw/zinc/54/70/42/446547042.db2.gz IDEMEIHOCKYGES-QFBILLFUSA-N 2 0 334.508 1.898 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2ccccc2)CC1 ZINC000411463243 446553596 /nfs/dbraw/zinc/55/35/96/446553596.db2.gz SCPRSUMIUQWCBM-GOSISDBHSA-N 2 0 333.476 1.689 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000418600446 446610104 /nfs/dbraw/zinc/61/01/04/446610104.db2.gz KVMUCZYBYRSTDX-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418516420 446576700 /nfs/dbraw/zinc/57/67/00/446576700.db2.gz ZRYZFZMZIVGUGQ-QGZVFWFLSA-N 2 0 348.491 1.528 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000420406534 446579859 /nfs/dbraw/zinc/57/98/59/446579859.db2.gz UMXRSDJOKFKZNQ-CRAIPNDOSA-N 2 0 334.508 1.193 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418522767 446580019 /nfs/dbraw/zinc/58/00/19/446580019.db2.gz UBWKVRGOWMDMLJ-FUHWJXTLSA-N 2 0 340.512 1.518 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000418553888 446591817 /nfs/dbraw/zinc/59/18/17/446591817.db2.gz ICBTZMDZDNTWHA-YJBOKZPZSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000420418604 446592387 /nfs/dbraw/zinc/59/23/87/446592387.db2.gz XAKAHGMINGVPAM-NXHRZFHOSA-N 2 0 332.492 1.322 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)CN2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000420419308 446593899 /nfs/dbraw/zinc/59/38/99/446593899.db2.gz XPCJGJCATOXQRL-HIFRSBDPSA-N 2 0 333.432 1.719 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000368011563 446619697 /nfs/dbraw/zinc/61/96/97/446619697.db2.gz ZGTDKPFGCSJJFK-BZUAXINKSA-N 2 0 345.491 1.279 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000423695299 446645217 /nfs/dbraw/zinc/64/52/17/446645217.db2.gz BQAPJYFNVXFBNC-MRXNPFEDSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368142638 446666096 /nfs/dbraw/zinc/66/60/96/446666096.db2.gz MDMKRLHBHPWLNB-CIRFHOKZSA-N 2 0 336.501 1.920 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000423734518 446667520 /nfs/dbraw/zinc/66/75/20/446667520.db2.gz WAHJZEBDXTVNPZ-XUWVNRHRSA-N 2 0 345.491 1.964 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418747952 446668404 /nfs/dbraw/zinc/66/84/04/446668404.db2.gz KCKMXYCKIAPNBB-AWEZNQCLSA-N 2 0 344.406 1.740 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000423742449 446673260 /nfs/dbraw/zinc/67/32/60/446673260.db2.gz LHDJNZCIIDQZEM-LJQANCHMSA-N 2 0 333.476 1.723 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C2)C1 ZINC000418641875 446628846 /nfs/dbraw/zinc/62/88/46/446628846.db2.gz SRXIHQKWTQNWFA-MJGOQNOKSA-N 2 0 328.460 1.611 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418766445 446685870 /nfs/dbraw/zinc/68/58/70/446685870.db2.gz KPIKKNDFAOAYDY-OAHLLOKOSA-N 2 0 326.485 1.053 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418781346 446699209 /nfs/dbraw/zinc/69/92/09/446699209.db2.gz ZEJAXXMVZYHPCE-HUUCEWRRSA-N 2 0 326.485 1.005 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000418781772 446699393 /nfs/dbraw/zinc/69/93/93/446699393.db2.gz ZOAXWTLEBMXNAS-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000411909593 446718668 /nfs/dbraw/zinc/71/86/68/446718668.db2.gz FZYGZKFLNKJNPG-RDJZCZTQSA-N 2 0 344.459 1.384 20 0 EDADRP COCC1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]CC1 ZINC000423902309 446754505 /nfs/dbraw/zinc/75/45/05/446754505.db2.gz LQHHTHQDIFYIHF-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000418898950 446781707 /nfs/dbraw/zinc/78/17/07/446781707.db2.gz BFSRGHMAWGWUHQ-JKSUJKDBSA-N 2 0 346.475 1.182 20 0 EDADRP COCC[C@@](C)(O)C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368253376 446741224 /nfs/dbraw/zinc/74/12/24/446741224.db2.gz LPNXYKQZNPBVAN-MRXNPFEDSA-N 2 0 327.494 1.787 20 0 EDADRP C[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)[NH+]1CCCCCC1 ZINC000423997855 446815525 /nfs/dbraw/zinc/81/55/25/446815525.db2.gz IIZNEAWLIBOJGB-KBAYOESNSA-N 2 0 337.508 1.996 20 0 EDADRP CC(C)[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000424015831 446824072 /nfs/dbraw/zinc/82/40/72/446824072.db2.gz AUENXYYAAGVJGV-AEFFLSMTSA-N 3 0 346.519 1.716 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439402 446863335 /nfs/dbraw/zinc/86/33/35/446863335.db2.gz UKHWNWIDXSKQSF-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424451867 446872800 /nfs/dbraw/zinc/87/28/00/446872800.db2.gz FXEQCSDTNYBOPA-HZPDHXFCSA-N 2 0 334.464 1.696 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000419081212 446911476 /nfs/dbraw/zinc/91/14/76/446911476.db2.gz RHFYSLOLKOTMFW-HOTGVXAUSA-N 2 0 338.496 1.001 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419082687 446912254 /nfs/dbraw/zinc/91/22/54/446912254.db2.gz UUYPPIFZSWBSHX-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000419115239 446933475 /nfs/dbraw/zinc/93/34/75/446933475.db2.gz SSYCKMYYBHOXEK-RDJZCZTQSA-N 2 0 348.491 1.113 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)CC(C)C ZINC000419127866 446939356 /nfs/dbraw/zinc/93/93/56/446939356.db2.gz SVUUSYVQFJPLSM-XHSDSOJGSA-N 2 0 340.512 1.245 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000377138157 446943228 /nfs/dbraw/zinc/94/32/28/446943228.db2.gz BXQKCECXUDAKEI-INIZCTEOSA-N 2 0 335.423 1.285 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419143157 446955919 /nfs/dbraw/zinc/95/59/19/446955919.db2.gz YYALFNFUKRTTPE-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425058347 447007175 /nfs/dbraw/zinc/00/71/75/447007175.db2.gz OUYMSLXZDRUGNT-DOTOQJQBSA-N 2 0 331.460 1.793 20 0 EDADRP C[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccnc3)CC2)[C@H]1C[NH3+] ZINC000372119191 447012468 /nfs/dbraw/zinc/01/24/68/447012468.db2.gz XJKVSNCDFQZZDW-YJBOKZPZSA-N 2 0 330.476 1.879 20 0 EDADRP CC[N@H+](CC(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1)C1CC1 ZINC000442845976 446986621 /nfs/dbraw/zinc/98/66/21/446986621.db2.gz VPDQTVDWYQJCEH-GOSISDBHSA-N 2 0 339.480 1.393 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000443059618 447001168 /nfs/dbraw/zinc/00/11/68/447001168.db2.gz NIXKZZNLWCHXRN-OAHLLOKOSA-N 2 0 337.439 1.772 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889756 447123226 /nfs/dbraw/zinc/12/32/26/447123226.db2.gz LBMCHGCVSJYYFO-IRXDYDNUSA-N 2 0 338.540 1.780 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1(C)C ZINC000375955748 447173381 /nfs/dbraw/zinc/17/33/81/447173381.db2.gz YYRRGODWFROJIY-GPMSIDNRSA-N 2 0 331.460 1.522 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419437504 447175911 /nfs/dbraw/zinc/17/59/11/447175911.db2.gz GEOHVACYBWVGRC-DLBZAZTESA-N 2 0 342.528 1.595 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455672924 447205676 /nfs/dbraw/zinc/20/56/76/447205676.db2.gz WIVBDVOGBGBJPD-GJZGRUSLSA-N 2 0 336.484 1.829 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419480212 447211568 /nfs/dbraw/zinc/21/15/68/447211568.db2.gz WBFJZAMEMJEZLM-YESZJQIVSA-N 2 0 340.512 1.061 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419429227 447169499 /nfs/dbraw/zinc/16/94/99/447169499.db2.gz AFFQYABFPQYGKH-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000446259533 447247628 /nfs/dbraw/zinc/24/76/28/447247628.db2.gz XRMWWUNGXPYSLQ-RLFYNMQTSA-N 2 0 325.497 1.757 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648460 447252835 /nfs/dbraw/zinc/25/28/35/447252835.db2.gz ULQSNWHVIOEAPP-IPMKNSEASA-N 2 0 342.487 1.997 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377579368 447218637 /nfs/dbraw/zinc/21/86/37/447218637.db2.gz CSMMODYJWDUBBF-HOTGVXAUSA-N 2 0 343.431 1.039 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2)CC1 ZINC000376040918 447229138 /nfs/dbraw/zinc/22/91/38/447229138.db2.gz CXMCAJJYSHOQRH-GDBMZVCRSA-N 2 0 346.479 1.898 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@@H](C)C[N@@H+]1CCO ZINC000419528287 447244519 /nfs/dbraw/zinc/24/45/19/447244519.db2.gz WRQJPONPCZDCNA-PMPSAXMXSA-N 2 0 340.512 1.203 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369028375 447274881 /nfs/dbraw/zinc/27/48/81/447274881.db2.gz QATMHYODUKGBQP-SJORKVTESA-N 2 0 338.496 1.271 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000380980177 447458532 /nfs/dbraw/zinc/45/85/32/447458532.db2.gz YOLLUIILAWBSQL-FQEVSTJZSA-N 2 0 349.519 1.522 20 0 EDADRP CC(C)[C@@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[NH+]1CCN(C)CC1 ZINC000392026552 447519631 /nfs/dbraw/zinc/51/96/31/447519631.db2.gz DYIOQVRLELHNSO-HQSKLWIPSA-N 2 0 336.524 1.295 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000392329749 447522957 /nfs/dbraw/zinc/52/29/57/447522957.db2.gz AJMRFBSEEFLVPY-GDBMZVCRSA-N 2 0 332.448 1.170 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457523233 447586710 /nfs/dbraw/zinc/58/67/10/447586710.db2.gz CWBLGUVKSROZBU-QGZVFWFLSA-N 2 0 340.512 1.254 20 0 EDADRP CC[C@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000419990627 447532789 /nfs/dbraw/zinc/53/27/89/447532789.db2.gz GGRORDFQVBCPQD-MJGOQNOKSA-N 2 0 335.492 1.716 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000416209811 447538290 /nfs/dbraw/zinc/53/82/90/447538290.db2.gz MSXFKWPHMLQLPR-XYJFISCASA-N 2 0 333.476 1.593 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cnccc1C ZINC000459015626 447540755 /nfs/dbraw/zinc/54/07/55/447540755.db2.gz GNNFCVSUTWRFRE-SFHVURJKSA-N 2 0 347.507 1.948 20 0 EDADRP CC(C)C[C@@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000420020537 447550057 /nfs/dbraw/zinc/55/00/57/447550057.db2.gz FRBPKKOXYZYBTM-ZOBUZTSGSA-N 2 0 348.491 1.332 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)c1ccccc1 ZINC000420033196 447557576 /nfs/dbraw/zinc/55/75/76/447557576.db2.gz GVROMKPZNMXTPC-MJGOQNOKSA-N 2 0 335.492 1.888 20 0 EDADRP C[C@@H]1C[C@@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000422552712 447639900 /nfs/dbraw/zinc/63/99/00/447639900.db2.gz IFXVGXFOBCNPLP-IIAWOOMASA-N 2 0 339.505 1.742 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1 ZINC000404403925 447599987 /nfs/dbraw/zinc/59/99/87/447599987.db2.gz XULMHGMIXZGZGD-OKZBNKHCSA-N 2 0 344.503 1.402 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000459261034 447625792 /nfs/dbraw/zinc/62/57/92/447625792.db2.gz LAOQCPIZZRQIMB-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000416837099 447694395 /nfs/dbraw/zinc/69/43/95/447694395.db2.gz WMLYNWUONJARBH-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)no1 ZINC000459401743 447653206 /nfs/dbraw/zinc/65/32/06/447653206.db2.gz MUKGSWLVRFMIEN-UHFFFAOYSA-N 2 0 330.436 1.465 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000457932421 447676457 /nfs/dbraw/zinc/67/64/57/447676457.db2.gz MASHMLLAJAIRSU-IXDOHACOSA-N 2 0 340.512 1.253 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416802698 447687485 /nfs/dbraw/zinc/68/74/85/447687485.db2.gz BJQZFAPFXINEPU-OWCLPIDISA-N 2 0 332.448 1.810 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000416792725 447687561 /nfs/dbraw/zinc/68/75/61/447687561.db2.gz YRDHHAKAVQGWJE-KRWDZBQOSA-N 2 0 334.464 1.359 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)C[NH3+])c1cccc(OC)c1 ZINC000416919492 447710064 /nfs/dbraw/zinc/71/00/64/447710064.db2.gz KFWOLANWMQNDDE-RHSMWYFYSA-N 2 0 336.480 1.972 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702507 447720375 /nfs/dbraw/zinc/72/03/75/447720375.db2.gz FKOIBIZCZJROHX-MRXNPFEDSA-N 3 0 347.503 1.874 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H](C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416949408 447722701 /nfs/dbraw/zinc/72/27/01/447722701.db2.gz HDNGJHNKBRDIFQ-ZBFHGGJFSA-N 2 0 328.501 1.550 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000416948863 447722855 /nfs/dbraw/zinc/72/28/55/447722855.db2.gz QEIFKQBFRLZIJC-TXCZRRACSA-N 2 0 338.496 1.173 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417012242 447729354 /nfs/dbraw/zinc/72/93/54/447729354.db2.gz WLSHBQBBHMDUPE-JKSUJKDBSA-N 2 0 326.485 1.112 20 0 EDADRP [NH3+]CC1CCC([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000422758898 447741769 /nfs/dbraw/zinc/74/17/69/447741769.db2.gz JLSAEHAQVRAXNR-UHFFFAOYSA-N 2 0 330.476 1.442 20 0 EDADRP C[NH+](C)C1(CN[C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789033 447750600 /nfs/dbraw/zinc/75/06/00/447750600.db2.gz SWJWYGKQYNCHCX-SLFFLAALSA-N 2 0 343.515 1.832 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422807069 447755496 /nfs/dbraw/zinc/75/54/96/447755496.db2.gz LWXQAHFLFYBUOZ-ZWKOTPCHSA-N 2 0 331.460 1.666 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404341 447767989 /nfs/dbraw/zinc/76/79/89/447767989.db2.gz UQKYTNLMJNADIL-CKEIUWERSA-N 2 0 329.485 1.725 20 0 EDADRP C[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422849175 447769053 /nfs/dbraw/zinc/76/90/53/447769053.db2.gz UTUHVEHDMMYAMT-IEBWSBKVSA-N 3 0 331.508 1.714 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000422864122 447770242 /nfs/dbraw/zinc/77/02/42/447770242.db2.gz TZUUTZFMKDVVJH-QILLFSRXSA-N 2 0 341.459 1.897 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCO[C@H]2C(C)C)CC[NH2+]CC1 ZINC000422960042 447781347 /nfs/dbraw/zinc/78/13/47/447781347.db2.gz ALGJAGWSXUARJM-XHSDSOJGSA-N 2 0 326.481 1.959 20 0 EDADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430593549 447782271 /nfs/dbraw/zinc/78/22/71/447782271.db2.gz SUXBBTNHQNMPFQ-OAHLLOKOSA-N 2 0 349.475 1.530 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422964462 447782878 /nfs/dbraw/zinc/78/28/78/447782878.db2.gz LSNZPIOPRDNJPN-ZBFHGGJFSA-N 2 0 331.526 1.557 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000430803413 447787396 /nfs/dbraw/zinc/78/73/96/447787396.db2.gz UAGPZFVNCRWJEL-QFBILLFUSA-N 2 0 327.472 1.891 20 0 EDADRP c1cc(N2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)cc[nH+]1 ZINC000422998703 447789356 /nfs/dbraw/zinc/78/93/56/447789356.db2.gz WVGLHQBMVDHPFA-RTBURBONSA-N 2 0 330.476 1.655 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431025796 447789581 /nfs/dbraw/zinc/78/95/81/447789581.db2.gz VAQRXXPAGYIQOY-UHFFFAOYSA-N 2 0 327.428 1.748 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000423022047 447792264 /nfs/dbraw/zinc/79/22/64/447792264.db2.gz GWPYTBWECDPLLD-RYUDHWBXSA-N 2 0 343.830 1.928 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)c2ccsc2)CC[NH2+]CC1 ZINC000423049643 447798014 /nfs/dbraw/zinc/79/80/14/447798014.db2.gz KCEOFKQCBVLIIA-OCCSQVGLSA-N 2 0 326.462 1.693 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051832 447798707 /nfs/dbraw/zinc/79/87/07/447798707.db2.gz OGSYKAVBSMOMPZ-GJZGRUSLSA-N 2 0 328.478 1.501 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000423077149 447799574 /nfs/dbraw/zinc/79/95/74/447799574.db2.gz SQHNXXUMRACNQK-YJBOKZPZSA-N 2 0 325.460 1.994 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423079267 447800655 /nfs/dbraw/zinc/80/06/55/447800655.db2.gz XXTBNQFSQGBSBK-GDBMZVCRSA-N 2 0 326.462 1.324 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000423084704 447802413 /nfs/dbraw/zinc/80/24/13/447802413.db2.gz IPEHKOSQHFTSHL-JQHSSLGASA-N 2 0 327.476 1.937 20 0 EDADRP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000496622269 447835022 /nfs/dbraw/zinc/83/50/22/447835022.db2.gz GOCJLTHKCWOWQO-GFCCVEGCSA-N 2 0 325.457 1.879 20 0 EDADRP CC(C)(C)[NH2+]CCCNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496700676 447851408 /nfs/dbraw/zinc/85/14/08/447851408.db2.gz LDDQGSCUBWUUSL-UHFFFAOYSA-N 2 0 341.500 1.842 20 0 EDADRP Cc1nc2cc(NC(=O)C(=O)N3CC[NH+]4CCC3CC4)ccc2n1C ZINC000530349409 447865770 /nfs/dbraw/zinc/86/57/70/447865770.db2.gz DTZHVZBFSPDNCJ-UHFFFAOYSA-N 2 0 341.415 1.127 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000523320771 447879140 /nfs/dbraw/zinc/87/91/40/447879140.db2.gz YZNOLGYUPHAUKV-QZTJIDSGSA-N 2 0 345.491 1.782 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1OC ZINC000489975138 447882659 /nfs/dbraw/zinc/88/26/59/447882659.db2.gz BMQMDDYYLPNMPO-INIZCTEOSA-N 2 0 348.491 1.887 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000575739636 447886056 /nfs/dbraw/zinc/88/60/56/447886056.db2.gz LEDOEVSUHGPCJP-IBGZPJMESA-N 2 0 334.508 1.053 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000531007149 447999976 /nfs/dbraw/zinc/99/99/76/447999976.db2.gz AJNMFAGBVMAHMJ-GDBMZVCRSA-N 2 0 328.526 1.453 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000576491233 448069041 /nfs/dbraw/zinc/06/90/41/448069041.db2.gz RYTGUOVJHYGNRX-UHFFFAOYSA-N 2 0 334.420 1.012 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000570911129 448083867 /nfs/dbraw/zinc/08/38/67/448083867.db2.gz JILMJBXOWOIJDP-HOTGVXAUSA-N 2 0 337.512 1.068 20 0 EDADRP CC(C)C[C@H](C[NH2+]C[C@@]1(O)CCN(C)C1)NC(=O)OC(C)(C)C ZINC000496982020 448095077 /nfs/dbraw/zinc/09/50/77/448095077.db2.gz VXHHANKXGSWFQN-PBHICJAKSA-N 2 0 329.485 1.582 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(=O)NCc1ccccc1)CC[NH2+]CC2 ZINC000571276108 448124393 /nfs/dbraw/zinc/12/43/93/448124393.db2.gz QWSGBVWISCQYDS-OAHLLOKOSA-N 2 0 344.459 1.476 20 0 EDADRP CCO[C@H]1C[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514822817 448209081 /nfs/dbraw/zinc/20/90/81/448209081.db2.gz YPTOLHHEFUZHBY-SJORKVTESA-N 2 0 347.463 1.070 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc(Cl)c(F)c2)CC1 ZINC000514597855 448169447 /nfs/dbraw/zinc/16/94/47/448169447.db2.gz AXTARFZHPLTDGQ-ZDUSSCGKSA-N 2 0 345.846 1.056 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264959 448249756 /nfs/dbraw/zinc/24/97/56/448249756.db2.gz IRPLMGAEJZDFMS-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264957 448250062 /nfs/dbraw/zinc/25/00/62/448250062.db2.gz IRPLMGAEJZDFMS-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572000144 448259396 /nfs/dbraw/zinc/25/93/96/448259396.db2.gz NQBCNNYPPSAKTR-HOTGVXAUSA-N 2 0 334.468 1.165 20 0 EDADRP Cc1nc(-c2ccccc2)[nH]c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000591287077 448307722 /nfs/dbraw/zinc/30/77/22/448307722.db2.gz HHTZKNZXQHMYIF-UHFFFAOYSA-N 2 0 343.475 1.951 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000591278522 448304539 /nfs/dbraw/zinc/30/45/39/448304539.db2.gz KXCJHFAUZMEUKL-HIFRSBDPSA-N 2 0 333.432 1.922 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)[C@@H](C[NH3+])C1 ZINC000577712008 448364664 /nfs/dbraw/zinc/36/46/64/448364664.db2.gz SOUMGYMRLWRYQL-SMDDNHRTSA-N 2 0 338.452 1.647 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])nc2)CC1 ZINC000566167627 448402000 /nfs/dbraw/zinc/40/20/00/448402000.db2.gz AEZMOTJHMWIIJL-HOCLYGCPSA-N 2 0 331.464 1.680 20 0 EDADRP N[C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130173 448468499 /nfs/dbraw/zinc/46/84/99/448468499.db2.gz VIWLYFUNIMSUPQ-NVXWUHKLSA-N 2 0 344.484 1.824 20 0 EDADRP O=C(NCc1cn2ccccc2n1)N1CCNC[C@@H]1c1cccnc1 ZINC000516915695 448494993 /nfs/dbraw/zinc/49/49/93/448494993.db2.gz ADMJKOONFIWVCS-MRXNPFEDSA-N 2 0 336.399 1.585 20 0 EDADRP O=C1[C@H]([N@@H+]2CC[C@@H](CN3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390071 448508859 /nfs/dbraw/zinc/50/88/59/448508859.db2.gz NPGOVZYVIOLLNH-FUHWJXTLSA-N 2 0 335.492 1.574 20 0 EDADRP COCCN(C)C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000566569223 448510004 /nfs/dbraw/zinc/51/00/04/448510004.db2.gz LWGUQYAULLTHLK-KRWDZBQOSA-N 2 0 340.439 1.360 20 0 EDADRP O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@H]1CC[NH2+]C1 ZINC000578349701 448525008 /nfs/dbraw/zinc/52/50/08/448525008.db2.gz NDAVPLPFORQABU-BEFAXECRSA-N 2 0 342.443 1.183 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000566628131 448525317 /nfs/dbraw/zinc/52/53/17/448525317.db2.gz JJSJJHYQVVGIAC-FQEVSTJZSA-N 2 0 348.535 1.049 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000517042090 448531855 /nfs/dbraw/zinc/53/18/55/448531855.db2.gz LLMRGZCTNSNZCI-OAHLLOKOSA-N 2 0 338.496 1.001 20 0 EDADRP [NH3+]C1(CN[C@@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000578497557 448559799 /nfs/dbraw/zinc/55/97/99/448559799.db2.gz IZOUSNKTPGNKKM-QGZVFWFLSA-N 2 0 325.460 1.911 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C)[NH+]2CC(C)C2)CC1 ZINC000584539632 448564416 /nfs/dbraw/zinc/56/44/16/448564416.db2.gz YPJRBRZNPRIILS-INIZCTEOSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000566674347 448534824 /nfs/dbraw/zinc/53/48/24/448534824.db2.gz JTXKKIAGCWYEBH-JKSUJKDBSA-N 2 0 345.409 1.530 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000573073454 448535362 /nfs/dbraw/zinc/53/53/62/448535362.db2.gz CORIHUZVMNFLNE-INMHGKMJSA-N 2 0 332.448 1.021 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NC(C)(C)c2noc(CN(C)C)n2)cc1 ZINC000584468413 448537700 /nfs/dbraw/zinc/53/77/00/448537700.db2.gz PEOBGTZYCKGHGM-NSHDSACASA-N 2 0 331.420 1.816 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000584468848 448539384 /nfs/dbraw/zinc/53/93/84/448539384.db2.gz VOCJPTCOAXFZBB-LBPRGKRZSA-N 2 0 328.420 1.152 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000538974585 448604671 /nfs/dbraw/zinc/60/46/71/448604671.db2.gz KSLMTXXXQGZPSE-MRXNPFEDSA-N 2 0 343.475 1.834 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000567103204 448613594 /nfs/dbraw/zinc/61/35/94/448613594.db2.gz NOTCXNRXEIEPNM-MMNPAVHPSA-N 2 0 331.464 1.013 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000517874032 448624369 /nfs/dbraw/zinc/62/43/69/448624369.db2.gz XBCHRZQVUZIRBN-GOSISDBHSA-N 2 0 348.491 1.330 20 0 EDADRP C[C@H]1C[C@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000538587702 448589824 /nfs/dbraw/zinc/58/98/24/448589824.db2.gz VNGDKRCXJBPDIM-UHOSZYNNSA-N 2 0 346.519 1.348 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573305695 448591553 /nfs/dbraw/zinc/59/15/53/448591553.db2.gz LHAIKWCAZLOJMA-SFHVURJKSA-N 2 0 346.475 1.825 20 0 EDADRP CCOC[C@@H]1CN(Cc2ccc(CN3CCOCC3)cc2)CCO1 ZINC000528733558 448650535 /nfs/dbraw/zinc/65/05/35/448650535.db2.gz WJFVIXBILXNGDD-IBGZPJMESA-N 2 0 334.460 1.756 20 0 EDADRP Cc1ccc(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(Br)c1 ZINC000578905466 448667354 /nfs/dbraw/zinc/66/73/54/448667354.db2.gz COIPLDBOUCGYNG-GXTWGEPZSA-N 2 0 338.249 1.501 20 0 EDADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C1 ZINC000573457928 448634108 /nfs/dbraw/zinc/63/41/08/448634108.db2.gz GICSFXKSFZTKGN-MISYRCLQSA-N 2 0 346.519 1.020 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccccc3)CCCC2)CC1 ZINC000518932493 448722109 /nfs/dbraw/zinc/72/21/09/448722109.db2.gz PFOVDPQHVOAXQT-IBGZPJMESA-N 2 0 331.504 1.696 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000573814754 448722358 /nfs/dbraw/zinc/72/23/58/448722358.db2.gz LJZYJXMGVFILIS-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CCc3cncn3C2)ccn1 ZINC000573805622 448718425 /nfs/dbraw/zinc/71/84/25/448718425.db2.gz HCZKUKMIBHYHRV-HNNXBMFYSA-N 2 0 343.431 1.097 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000519383828 448763613 /nfs/dbraw/zinc/76/36/13/448763613.db2.gz MUJRPNGRWFVMLH-UHFFFAOYSA-N 2 0 340.431 1.425 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000579134635 448724533 /nfs/dbraw/zinc/72/45/33/448724533.db2.gz ZDHNDTMDGNRJHS-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683663 448736711 /nfs/dbraw/zinc/73/67/11/448736711.db2.gz UKDDUSBFCCKTJW-ZNMIVQPWSA-N 2 0 345.443 1.106 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683661 448736802 /nfs/dbraw/zinc/73/68/02/448736802.db2.gz UKDDUSBFCCKTJW-RBSFLKMASA-N 2 0 345.443 1.106 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000519407782 448767889 /nfs/dbraw/zinc/76/78/89/448767889.db2.gz ZOOFNJGWOFCQBC-QRQLOZEOSA-N 2 0 347.503 1.810 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529302773 448813718 /nfs/dbraw/zinc/81/37/18/448813718.db2.gz ZUKQDZLYYOTNAU-ROUUACIJSA-N 2 0 346.475 1.186 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000529322939 448822834 /nfs/dbraw/zinc/82/28/34/448822834.db2.gz RXTKTJYOBXCUBY-CVEARBPZSA-N 2 0 332.448 1.239 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1CCOC ZINC000529354865 448838391 /nfs/dbraw/zinc/83/83/91/448838391.db2.gz KMDGHKMSGIZKJY-HOTGVXAUSA-N 2 0 338.496 1.413 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000568248699 448844593 /nfs/dbraw/zinc/84/45/93/448844593.db2.gz YBRXXZLOMLSENG-MOPGFXCFSA-N 3 0 344.503 1.743 20 0 EDADRP C[C@H](Cc1c[nH]cn1)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000579729276 448867389 /nfs/dbraw/zinc/86/73/89/448867389.db2.gz KPCAOIQIAVNPCW-OAHLLOKOSA-N 2 0 334.464 1.740 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCC[C@]3(C)[NH3+])CC2)CC1 ZINC000568512799 448883722 /nfs/dbraw/zinc/88/37/22/448883722.db2.gz LKRPJYVKOYDOQK-MJGOQNOKSA-N 2 0 336.524 1.380 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000568513321 448883859 /nfs/dbraw/zinc/88/38/59/448883859.db2.gz ZKQYQMVGEVXDGR-IHETXDGRSA-N 2 0 329.444 1.827 20 0 EDADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000592553561 448897043 /nfs/dbraw/zinc/89/70/43/448897043.db2.gz WFMXSIQQNOETLQ-CVEARBPZSA-N 2 0 339.480 1.428 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCC[NH2+]1 ZINC000592558638 448900690 /nfs/dbraw/zinc/90/06/90/448900690.db2.gz KWMIWUQAXHIRSM-HUUCEWRRSA-N 2 0 325.453 1.005 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[NH+]1CCN(C)CC1 ZINC000574570946 448905256 /nfs/dbraw/zinc/90/52/56/448905256.db2.gz XRJIOOSVLUERTR-JENIJYKNSA-N 2 0 336.524 1.154 20 0 EDADRP NC(=O)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569004 448910791 /nfs/dbraw/zinc/91/07/91/448910791.db2.gz OXSOZEKTKQZUCJ-QGZVFWFLSA-N 2 0 331.460 1.380 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000529713965 448934025 /nfs/dbraw/zinc/93/40/25/448934025.db2.gz BPRMKDZRSNBGRS-INIZCTEOSA-N 2 0 333.480 1.582 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000520403933 448892751 /nfs/dbraw/zinc/89/27/51/448892751.db2.gz GLQYEBFKCFJEHD-CWLKWCNXSA-N 2 0 348.491 1.294 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000581065761 448965166 /nfs/dbraw/zinc/96/51/66/448965166.db2.gz PYIZUCVULSLGIW-DOTOQJQBSA-N 2 0 325.460 2.533 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574861577 448972388 /nfs/dbraw/zinc/97/23/88/448972388.db2.gz LMCJOWFSOIGTJV-NJAFHUGGSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cnccc2C(C)(C)C)C[C@H](C)O1 ZINC000569213832 448981082 /nfs/dbraw/zinc/98/10/82/448981082.db2.gz FTWPPDGAXMDMJQ-HLLBOEOZSA-N 2 0 335.492 1.939 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000574733419 448941941 /nfs/dbraw/zinc/94/19/41/448941941.db2.gz WMTHYSYQAXYLAL-IKGGRYGDSA-N 2 0 342.528 1.905 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000574744643 448944820 /nfs/dbraw/zinc/94/48/20/448944820.db2.gz IGNGLSSSLZMOHK-UHFFFAOYSA-N 2 0 332.492 1.158 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000574987411 449007135 /nfs/dbraw/zinc/00/71/35/449007135.db2.gz XVUZSQQZUCHEOO-FGTMMUONSA-N 2 0 328.460 1.881 20 0 EDADRP Cc1ncc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000569379488 449018260 /nfs/dbraw/zinc/01/82/60/449018260.db2.gz FVAGAVRYTTYZAV-UHFFFAOYSA-N 2 0 327.476 1.636 20 0 EDADRP C[N@H+](C[C@@H](O)CN[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039295 449018699 /nfs/dbraw/zinc/01/86/99/449018699.db2.gz DPIMPZXLFTVBSN-VQTJNVASSA-N 2 0 346.519 1.020 20 0 EDADRP CN(CC(=O)Nc1ccnn1Cc1ccccc1Cl)C1CC([NH3+])C1 ZINC000575050008 449022609 /nfs/dbraw/zinc/02/26/09/449022609.db2.gz XEHRQWCEDLXAME-UHFFFAOYSA-N 2 0 347.850 1.945 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCc2nc3ccccc3c(=O)[nH]2)CC12CCOCC2 ZINC000582181632 449032232 /nfs/dbraw/zinc/03/22/32/449032232.db2.gz GRYDUSZQQDVARP-CQSZACIVSA-N 2 0 342.443 1.565 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592955561 449075745 /nfs/dbraw/zinc/07/57/45/449075745.db2.gz AANMNVIMVYXULK-HOTGVXAUSA-N 2 0 347.507 1.961 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000582230949 449042916 /nfs/dbraw/zinc/04/29/16/449042916.db2.gz RTOCQEKLHMNNJT-UYAOXDASSA-N 2 0 344.503 1.931 20 0 EDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000590752502 449272179 /nfs/dbraw/zinc/27/21/79/449272179.db2.gz XPDYHNVHSZZOFC-IXDOHACOSA-N 2 0 347.459 1.337 20 0 EDADRP COC(=O)CCN1CCC[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895724 449238712 /nfs/dbraw/zinc/23/87/12/449238712.db2.gz TYIBKJMZECPTLJ-CVEARBPZSA-N 2 0 337.464 1.005 20 0 EDADRP CSC1(CNC(=O)N(C)CC[NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000593407888 449269135 /nfs/dbraw/zinc/26/91/35/449269135.db2.gz NKFCHWLKNVITQD-UHFFFAOYSA-N 2 0 342.553 1.941 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC1([NH3+])CC1 ZINC000595950439 449275761 /nfs/dbraw/zinc/27/57/61/449275761.db2.gz DICKURCLEBZDNI-AWEZNQCLSA-N 2 0 325.453 1.134 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000593913706 449282116 /nfs/dbraw/zinc/28/21/16/449282116.db2.gz YMDLGMKKNUTJJY-QZTJIDSGSA-N 2 0 346.475 1.131 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000594133414 449364927 /nfs/dbraw/zinc/36/49/27/449364927.db2.gz OTVOERBLXHKCFF-BRWVUGGUSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066443 449441700 /nfs/dbraw/zinc/44/17/00/449441700.db2.gz FREVQAPDQZWHQY-LPHOPBHVSA-N 2 0 337.508 1.556 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[N@@H+]1C ZINC000617110704 449462316 /nfs/dbraw/zinc/46/23/16/449462316.db2.gz ZDHCWQQXHMXKRA-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(CN1CCC[N@@H+](C2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000606448231 449470452 /nfs/dbraw/zinc/47/04/52/449470452.db2.gz QCTHKQWLXCRMDI-UHFFFAOYSA-N 2 0 348.535 1.680 20 0 EDADRP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000606700452 449511438 /nfs/dbraw/zinc/51/14/38/449511438.db2.gz KCTKXIIBENQAJO-OAHLLOKOSA-N 2 0 331.464 1.644 20 0 EDADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000614331352 449563973 /nfs/dbraw/zinc/56/39/73/449563973.db2.gz QJJDHLMJNRZJLT-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607235992 449590090 /nfs/dbraw/zinc/59/00/90/449590090.db2.gz NUMBVSKLEVXCNI-IRXDYDNUSA-N 3 0 341.544 1.242 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)cc1 ZINC000602476028 449620975 /nfs/dbraw/zinc/62/09/75/449620975.db2.gz WFLMRIKOTSFMOV-HSZRJFAPSA-N 2 0 337.489 1.230 20 0 EDADRP [NH3+][C@@H]1C[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875139 449789104 /nfs/dbraw/zinc/78/91/04/449789104.db2.gz XHYDSVMAAUTUMB-HUUCEWRRSA-N 2 0 341.377 1.882 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000594926608 449810999 /nfs/dbraw/zinc/81/09/99/449810999.db2.gz UKJCHWSOCNKWCH-ATZDWAIDSA-N 2 0 345.487 1.721 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000594942606 449814822 /nfs/dbraw/zinc/81/48/22/449814822.db2.gz KEMMAIZUJVQHRL-BVPBIZIASA-N 2 0 332.444 1.540 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000594942607 449814960 /nfs/dbraw/zinc/81/49/60/449814960.db2.gz KEMMAIZUJVQHRL-OKDNKWQNSA-N 2 0 332.444 1.540 20 0 EDADRP CCOC(=O)c1nnn(C2CC[NH+](CCC[NH3+])CC2)c1C(F)F ZINC000601328341 449836413 /nfs/dbraw/zinc/83/64/13/449836413.db2.gz MFUYXTGKLQXLEP-UHFFFAOYSA-N 2 0 331.367 1.378 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C3CCCC2CCC3)C1 ZINC000608499459 449860514 /nfs/dbraw/zinc/86/05/14/449860514.db2.gz KXTLTCZQKCVUOO-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612897976 449932457 /nfs/dbraw/zinc/93/24/57/449932457.db2.gz AFXJQRQBUUNIBW-VDZJLULYSA-N 2 0 330.476 1.948 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612964245 449960525 /nfs/dbraw/zinc/96/05/25/449960525.db2.gz OWUROKVPZAADSY-IAGOWNOFSA-N 2 0 328.460 1.702 20 0 EDADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000615617236 450168906 /nfs/dbraw/zinc/16/89/06/450168906.db2.gz VQGGANTXBDCAGO-LJQANCHMSA-N 2 0 349.519 1.966 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000623056276 450384832 /nfs/dbraw/zinc/38/48/32/450384832.db2.gz UQGIDSUEHCHPRM-OAHLLOKOSA-N 2 0 347.463 1.067 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000625806500 450513249 /nfs/dbraw/zinc/51/32/49/450513249.db2.gz GDAMCTGQPQTYIT-ZWKOTPCHSA-N 2 0 333.476 1.416 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)[C@@H]1C ZINC000620747137 450538256 /nfs/dbraw/zinc/53/82/56/450538256.db2.gz NAOUEJHDFJZCQA-HOTGVXAUSA-N 2 0 340.512 1.115 20 0 EDADRP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635068839 450620917 /nfs/dbraw/zinc/62/09/17/450620917.db2.gz MBNYXVOYIHMRKH-ICSRJNTNSA-N 2 0 345.487 1.593 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000633042065 450640055 /nfs/dbraw/zinc/64/00/55/450640055.db2.gz QLTMBPHEEBSICJ-GOEBONIOSA-N 2 0 344.459 1.212 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000629419589 450665124 /nfs/dbraw/zinc/66/51/24/450665124.db2.gz PXOWWNMEZLRFAS-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP C[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000624036086 450678251 /nfs/dbraw/zinc/67/82/51/450678251.db2.gz GMROOXOOIMVBEQ-KRWDZBQOSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)C[NH2+]1 ZINC000627357418 450672914 /nfs/dbraw/zinc/67/29/14/450672914.db2.gz GEDDTLUDOWNDRL-CABCVRRESA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621335029 450688408 /nfs/dbraw/zinc/68/84/08/450688408.db2.gz ZTEIADICLGERDX-GOSISDBHSA-N 2 0 341.503 1.851 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629532028 450726470 /nfs/dbraw/zinc/72/64/70/450726470.db2.gz JBAWNHIZRXWLKL-GXTWGEPZSA-N 2 0 343.830 1.928 20 0 EDADRP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000629551759 450732387 /nfs/dbraw/zinc/73/23/87/450732387.db2.gz XFXKYESNCBOPRH-BFHYXJOUSA-N 2 0 331.416 1.374 20 0 EDADRP O=C1C[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000629573908 450743672 /nfs/dbraw/zinc/74/36/72/450743672.db2.gz GDTFNOKRFPXORL-QZTJIDSGSA-N 2 0 331.460 1.081 20 0 EDADRP O=C1C[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000629573907 450744063 /nfs/dbraw/zinc/74/40/63/450744063.db2.gz GDTFNOKRFPXORL-MSOLQXFVSA-N 2 0 331.460 1.081 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@H]21 ZINC000624263107 450770184 /nfs/dbraw/zinc/77/01/84/450770184.db2.gz BERLZNJOISCHDG-FUMNGEBKSA-N 2 0 344.503 1.745 20 0 EDADRP CC(C)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(=O)Nc1ccccc1 ZINC000629650331 450770335 /nfs/dbraw/zinc/77/03/35/450770335.db2.gz RMYGFMYHKGLUGR-AWEZNQCLSA-N 2 0 332.448 1.191 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000621642212 450806538 /nfs/dbraw/zinc/80/65/38/450806538.db2.gz HMJBYPROVIHZMI-TVFCKZIOSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CCCCC1 ZINC000635282876 450813761 /nfs/dbraw/zinc/81/37/61/450813761.db2.gz FGRFYJLHAPCJSG-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621655602 450817600 /nfs/dbraw/zinc/81/76/00/450817600.db2.gz SUUYQOIELDSDEH-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000631861339 450832140 /nfs/dbraw/zinc/83/21/40/450832140.db2.gz ZJJBFQSYLBVATJ-GOEBONIOSA-N 2 0 348.516 1.595 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000624399028 450833436 /nfs/dbraw/zinc/83/34/36/450833436.db2.gz FCNAAJMVEBIULM-ZBFHGGJFSA-N 2 0 332.448 1.952 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000631828293 450801255 /nfs/dbraw/zinc/80/12/55/450801255.db2.gz LCVNEZXYMOHIPQ-BPLDGKMQSA-N 2 0 342.434 1.642 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829110 450801585 /nfs/dbraw/zinc/80/15/85/450801585.db2.gz HATXXZPGBYQTBM-RKVPGOIHSA-N 2 0 345.443 1.992 20 0 EDADRP COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)sn1 ZINC000621880724 450917176 /nfs/dbraw/zinc/91/71/76/450917176.db2.gz PRFCNDOSGCZCBV-UHFFFAOYSA-N 2 0 328.482 1.497 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000635419681 450926388 /nfs/dbraw/zinc/92/63/88/450926388.db2.gz ZNTHPYSBSGTNSI-UHFFFAOYSA-N 2 0 330.476 1.714 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000629977320 450929795 /nfs/dbraw/zinc/92/97/95/450929795.db2.gz IJPGBFJSPXWCTH-UHFFFAOYSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000635442565 450944402 /nfs/dbraw/zinc/94/44/02/450944402.db2.gz BTJYHSQEPQJYTO-AWEZNQCLSA-N 2 0 332.448 1.857 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000635442620 450944416 /nfs/dbraw/zinc/94/44/16/450944416.db2.gz DXRQPVZHRBOUGG-UHFFFAOYSA-N 2 0 332.448 1.857 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000626919773 451004136 /nfs/dbraw/zinc/00/41/36/451004136.db2.gz NASUHOQKQHETOZ-MRXNPFEDSA-N 2 0 338.496 1.463 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626930929 451013686 /nfs/dbraw/zinc/01/36/86/451013686.db2.gz LRVPDRIIAOLGGM-UHFFFAOYSA-N 2 0 348.491 1.576 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626935064 451017676 /nfs/dbraw/zinc/01/76/76/451017676.db2.gz WMWJCQOQVDNENZ-MAUKXSAKSA-N 2 0 330.476 1.875 20 0 EDADRP [NH3+]CCCOCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934789 451017744 /nfs/dbraw/zinc/01/77/44/451017744.db2.gz NQQTZJXURBOEFD-QGZVFWFLSA-N 2 0 334.464 1.488 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626947777 451026886 /nfs/dbraw/zinc/02/68/86/451026886.db2.gz YFHYLWRMDYOUIA-KFWWJZLASA-N 2 0 326.485 1.031 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000626991217 451057015 /nfs/dbraw/zinc/05/70/15/451057015.db2.gz CSRRITSFCLOSQY-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000626991825 451057464 /nfs/dbraw/zinc/05/74/64/451057464.db2.gz KUZCEIZVXQDGGN-HNNXBMFYSA-N 2 0 342.871 1.559 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627005916 451070182 /nfs/dbraw/zinc/07/01/82/451070182.db2.gz NXGBGKPZIFUOPR-IAGOWNOFSA-N 2 0 334.464 1.309 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000627011743 451076226 /nfs/dbraw/zinc/07/62/26/451076226.db2.gz IXDZQBNEWWWNNG-UBHSHLNASA-N 2 0 348.413 1.806 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000627033366 451091629 /nfs/dbraw/zinc/09/16/29/451091629.db2.gz HYOALZAMQOFZDH-NVXWUHKLSA-N 2 0 336.480 1.521 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000627034111 451092896 /nfs/dbraw/zinc/09/28/96/451092896.db2.gz YMNSVJMEFZIHRV-WBVHZDCISA-N 2 0 336.480 1.555 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627038723 451095384 /nfs/dbraw/zinc/09/53/84/451095384.db2.gz LZHNOGUJBAIELE-NVXWUHKLSA-N 2 0 334.464 1.314 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000632116612 451047414 /nfs/dbraw/zinc/04/74/14/451047414.db2.gz XRZVVMKCJHNGNG-MRXNPFEDSA-N 2 0 333.480 1.249 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627110833 451128334 /nfs/dbraw/zinc/12/83/34/451128334.db2.gz LOVMFRVNYNACCS-QGZVFWFLSA-N 2 0 338.496 1.176 20 0 EDADRP C[NH2+]CCOCCNC(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627174296 451165307 /nfs/dbraw/zinc/16/53/07/451165307.db2.gz GUEHLTGZCITUBV-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[NH2+]1 ZINC000627203139 451185013 /nfs/dbraw/zinc/18/50/13/451185013.db2.gz VHIXSKBWSQZZKO-IIQAOJFUSA-N 2 0 349.523 1.079 20 0 EDADRP CN(C(=O)NCCOCCC[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627214737 451191206 /nfs/dbraw/zinc/19/12/06/451191206.db2.gz YGCBZADTDZAYDF-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000638088125 451254539 /nfs/dbraw/zinc/25/45/39/451254539.db2.gz ZLAJZPTZEIMDST-HNAYVOBHSA-N 2 0 331.460 1.305 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000638099616 451265686 /nfs/dbraw/zinc/26/56/86/451265686.db2.gz HXODXZDRMDCVTQ-URLQWDBASA-N 2 0 333.476 1.999 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000638100273 451265918 /nfs/dbraw/zinc/26/59/18/451265918.db2.gz XTYCCABFFBVLKJ-KRWDZBQOSA-N 2 0 329.444 1.307 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638101624 451266387 /nfs/dbraw/zinc/26/63/87/451266387.db2.gz VUYXYEQNDGSDGP-FQEVSTJZSA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)c1cnc(C[NH3+])nc1 ZINC000638129643 451300046 /nfs/dbraw/zinc/30/00/46/451300046.db2.gz CLZNUXUCHBLWDL-UHFFFAOYSA-N 2 0 347.385 1.672 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638131167 451302408 /nfs/dbraw/zinc/30/24/08/451302408.db2.gz KKAASKCLUVJYDH-SFHVURJKSA-N 2 0 325.497 1.616 20 0 EDADRP C[NH+]1CCN(CCNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CC1 ZINC000638136536 451308251 /nfs/dbraw/zinc/30/82/51/451308251.db2.gz IJYBBJTVJYOAFF-AWEZNQCLSA-N 2 0 344.381 1.069 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638141997 451316969 /nfs/dbraw/zinc/31/69/69/451316969.db2.gz ADOVBXIXFQVCQS-AYBZRNKSSA-N 2 0 331.460 1.236 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195160 451350621 /nfs/dbraw/zinc/35/06/21/451350621.db2.gz RFBMDAOIHIEHFQ-IBGZPJMESA-N 2 0 338.455 1.365 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@@H]1C ZINC000638203093 451352539 /nfs/dbraw/zinc/35/25/39/451352539.db2.gz DHWCSUYLMHXMDK-CHWSQXEVSA-N 2 0 345.447 1.126 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000638245680 451379205 /nfs/dbraw/zinc/37/92/05/451379205.db2.gz WWZYIDCJESIFTM-QWHCGFSZSA-N 2 0 327.350 1.964 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000638250978 451381813 /nfs/dbraw/zinc/38/18/13/451381813.db2.gz LAMLHUVSDAPIKV-SJORKVTESA-N 2 0 337.508 1.583 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265495 451387113 /nfs/dbraw/zinc/38/71/13/451387113.db2.gz COSVQEVXXYXNEK-KGLIPLIRSA-N 2 0 329.366 1.904 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCN3CCC4)C2)cc1 ZINC000634457073 451347714 /nfs/dbraw/zinc/34/77/14/451347714.db2.gz QPHMHSVZJQVQMH-OALUTQOASA-N 2 0 342.487 1.075 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630807088 451413274 /nfs/dbraw/zinc/41/32/74/451413274.db2.gz DAGHSNLZNDILQB-HOTGVXAUSA-N 2 0 349.523 1.931 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000638313320 451425172 /nfs/dbraw/zinc/42/51/72/451425172.db2.gz TZYMFCFGIQQLHR-DZOHQFGASA-N 2 0 331.460 1.472 20 0 EDADRP CO[C@H](C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638351458 451452664 /nfs/dbraw/zinc/45/26/64/451452664.db2.gz GAVQWWHCYZIOCD-ZWKOTPCHSA-N 2 0 327.513 1.290 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)c1 ZINC000638364552 451462080 /nfs/dbraw/zinc/46/20/80/451462080.db2.gz KRYLJBBJKXMVGL-GOSISDBHSA-N 2 0 326.444 1.852 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)s2)C1 ZINC000638366030 451463282 /nfs/dbraw/zinc/46/32/82/451463282.db2.gz JYSHXZXWLFYINZ-CYBMUJFWSA-N 2 0 345.534 1.997 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccc3ncccc23)C1)N1CC[NH2+]CC1 ZINC000634687690 451464849 /nfs/dbraw/zinc/46/48/49/451464849.db2.gz VSRIXBNEBNKZRX-KRWDZBQOSA-N 2 0 338.455 1.879 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638379345 451473644 /nfs/dbraw/zinc/47/36/44/451473644.db2.gz ZYYZYYMZLRDKAB-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638386634 451479003 /nfs/dbraw/zinc/47/90/03/451479003.db2.gz PFWZUSJALMABSD-UHFFFAOYSA-N 2 0 331.460 1.102 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000638400727 451489594 /nfs/dbraw/zinc/48/95/94/451489594.db2.gz SHSAQGUBQCENFI-IPMKNSEASA-N 2 0 344.503 1.579 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000638404095 451492883 /nfs/dbraw/zinc/49/28/83/451492883.db2.gz ZFMYKMYSSXBNKD-MJGOQNOKSA-N 2 0 345.487 1.803 20 0 EDADRP C[N@H+](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341172 451445174 /nfs/dbraw/zinc/44/51/74/451445174.db2.gz NSZWCSONQKQRFK-WBVHZDCISA-N 2 0 325.497 1.709 20 0 EDADRP Cc1conc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638343289 451446325 /nfs/dbraw/zinc/44/63/25/451446325.db2.gz KSCCZDUVSWIZAQ-UHFFFAOYSA-N 2 0 328.416 1.706 20 0 EDADRP OCC[N@@H+]1CCCC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721010 451501994 /nfs/dbraw/zinc/50/19/94/451501994.db2.gz SJZPVOJYPKUVHB-WOJBJXKFSA-N 2 0 347.503 1.060 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000638437784 451516618 /nfs/dbraw/zinc/51/66/18/451516618.db2.gz VAKKMKKTFJGPAV-YJBOKZPZSA-N 2 0 331.460 1.933 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000638481823 451535164 /nfs/dbraw/zinc/53/51/64/451535164.db2.gz RMCWUVVIQXZOAM-QZTJIDSGSA-N 2 0 331.460 1.344 20 0 EDADRP CO[C@@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000638513467 451553083 /nfs/dbraw/zinc/55/30/83/451553083.db2.gz MDWYQOXPYGKQNV-MSOLQXFVSA-N 2 0 349.475 1.119 20 0 EDADRP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570946 451582832 /nfs/dbraw/zinc/58/28/32/451582832.db2.gz DITJISSGAHKQAZ-IAGOWNOFSA-N 2 0 325.497 1.759 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000632853434 451615482 /nfs/dbraw/zinc/61/54/82/451615482.db2.gz LMGDIQSQPMBMHA-YESZJQIVSA-N 2 0 340.512 1.467 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634953216 451621918 /nfs/dbraw/zinc/62/19/18/451621918.db2.gz VHLHVFJLMZZDBS-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1ccc2nccnc2c1)C(=O)NCC[NH+](C)C ZINC000634974386 451632968 /nfs/dbraw/zinc/63/29/68/451632968.db2.gz ZMYDAVYXBYFANE-SFHVURJKSA-N 2 0 343.475 1.812 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)N1CCOCC1 ZINC000638669253 451642139 /nfs/dbraw/zinc/64/21/39/451642139.db2.gz PWTFTUQEOAGIGN-MRXNPFEDSA-N 2 0 325.497 1.188 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672530 451643383 /nfs/dbraw/zinc/64/33/83/451643383.db2.gz VFUNDQCDAMETTO-ZSZQSSIHSA-N 2 0 345.443 1.640 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)c2)CC1 ZINC000632933487 451659250 /nfs/dbraw/zinc/65/92/50/451659250.db2.gz KTGSIDPCBBGPJX-RDJZCZTQSA-N 2 0 329.448 1.407 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCOc3ccc(C[NH3+])cc32)c1 ZINC000638807466 451697556 /nfs/dbraw/zinc/69/75/56/451697556.db2.gz JEDBTAKYOFWZGE-INIZCTEOSA-N 2 0 341.411 1.449 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000640949221 451700338 /nfs/dbraw/zinc/70/03/38/451700338.db2.gz PVWKHJKHXPGJDO-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000638834525 451705148 /nfs/dbraw/zinc/70/51/48/451705148.db2.gz HDAWNXHYHVOCIF-HGKSCXNLSA-N 2 0 327.472 1.870 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844013 451708754 /nfs/dbraw/zinc/70/87/54/451708754.db2.gz VJJMUZQSMWPDDH-LPHOPBHVSA-N 2 0 331.460 1.481 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000637078624 451712683 /nfs/dbraw/zinc/71/26/83/451712683.db2.gz HPMIVWIRZTZNED-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000638727134 451667923 /nfs/dbraw/zinc/66/79/23/451667923.db2.gz FJNSTFFCIOSLST-UHFFFAOYSA-N 2 0 335.492 1.751 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000638729959 451668726 /nfs/dbraw/zinc/66/87/26/451668726.db2.gz VBZVBYNNUXAEHF-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985350 451746510 /nfs/dbraw/zinc/74/65/10/451746510.db2.gz FASNCZLTBJDAAG-KRWDZBQOSA-N 3 0 337.427 1.664 20 0 EDADRP Cc1cc(C)n([C@H](C)C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638986313 451747471 /nfs/dbraw/zinc/74/74/71/451747471.db2.gz KABMURFGPBIZCG-CQSZACIVSA-N 2 0 328.420 1.504 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000639001673 451750533 /nfs/dbraw/zinc/75/05/33/451750533.db2.gz MANVCHOKMAZRLI-JENIJYKNSA-N 2 0 331.460 1.453 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c2ccccc21 ZINC000639065327 451760904 /nfs/dbraw/zinc/76/09/04/451760904.db2.gz OZWCJRVYPMJKDZ-ZIAGYGMSSA-N 2 0 340.431 1.295 20 0 EDADRP CC[C@@](C)([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230430 451791150 /nfs/dbraw/zinc/79/11/50/451791150.db2.gz REWMMZKRKULZAV-MSOLQXFVSA-N 2 0 329.448 1.499 20 0 EDADRP O[C@]1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230790 451791844 /nfs/dbraw/zinc/79/18/44/451791844.db2.gz UITJSOMPKWTZHB-IEBWSBKVSA-N 2 0 341.459 1.067 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000644523975 451839383 /nfs/dbraw/zinc/83/93/83/451839383.db2.gz DYJAXUKHEGODRQ-RCCFBDPRSA-N 2 0 332.444 1.845 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2nc3ccccc3o2)(N2CCOCC2)CC1 ZINC000639261849 451800376 /nfs/dbraw/zinc/80/03/76/451800376.db2.gz SGOQFWIAPHUUDA-UHFFFAOYSA-N 2 0 344.459 1.714 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637373778 451805750 /nfs/dbraw/zinc/80/57/50/451805750.db2.gz RSJBOWRROXGCMO-KRWDZBQOSA-N 2 0 331.464 1.622 20 0 EDADRP CCOCC[C@@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543648 451852447 /nfs/dbraw/zinc/85/24/47/451852447.db2.gz GNTYFGMLRMORDR-MOPGFXCFSA-N 2 0 335.492 1.352 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000653349520 451860002 /nfs/dbraw/zinc/86/00/02/451860002.db2.gz RPTKLRPJTVJSAT-GOSISDBHSA-N 2 0 333.476 1.815 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000646845246 451883191 /nfs/dbraw/zinc/88/31/91/451883191.db2.gz HLXLSAVBMFOTMB-YJBOKZPZSA-N 2 0 346.475 1.017 20 0 EDADRP O=C(NC[C@H]1CC[NH+]1C1CCCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000637469277 451884821 /nfs/dbraw/zinc/88/48/21/451884821.db2.gz AASLZPMNXGUDQY-NVXWUHKLSA-N 2 0 338.496 1.149 20 0 EDADRP O[C@@]1(CN2CC[C@](O)(C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639515811 451918637 /nfs/dbraw/zinc/91/86/37/451918637.db2.gz YHHUWSSAYNJTNX-JKSUJKDBSA-N 2 0 344.377 1.623 20 0 EDADRP CCOc1ccc(C[C@@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000644665527 451926675 /nfs/dbraw/zinc/92/66/75/451926675.db2.gz CKHLGDHYRIGFGJ-MJGOQNOKSA-N 2 0 349.519 1.462 20 0 EDADRP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CCN(C)C3)[C@H](C)CN1C ZINC000641405672 451943744 /nfs/dbraw/zinc/94/37/44/451943744.db2.gz GDGNGPQWFUDKRJ-ZIAGYGMSSA-N 2 0 337.489 1.388 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000649271801 451945048 /nfs/dbraw/zinc/94/50/48/451945048.db2.gz YRGRHDCVQCMBFY-UHFFFAOYSA-N 2 0 344.459 1.472 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]1(N)CC[N@H+](C)C1 ZINC000649290794 451965639 /nfs/dbraw/zinc/96/56/39/451965639.db2.gz SWIBNKDAAYVINK-IBGZPJMESA-N 2 0 348.491 1.056 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)Cc1ccccc1 ZINC000649292468 451967571 /nfs/dbraw/zinc/96/75/71/451967571.db2.gz IYTZLDHVLRVCQE-AZUAARDMSA-N 2 0 347.503 1.824 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000649302421 451977968 /nfs/dbraw/zinc/97/79/68/451977968.db2.gz OEGYQHZONLNTMV-XYJFISCASA-N 2 0 333.476 1.562 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)[NH+](C)C)cc1 ZINC000649302888 451979671 /nfs/dbraw/zinc/97/96/71/451979671.db2.gz BNHUJSCJFZGWCO-LSDHHAIUSA-N 2 0 325.403 1.959 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000649306375 451984079 /nfs/dbraw/zinc/98/40/79/451984079.db2.gz NYGBJTUGHLIFPR-INIZCTEOSA-N 2 0 342.447 1.194 20 0 EDADRP CC1(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C[NH2+]C1 ZINC000649309036 451986548 /nfs/dbraw/zinc/98/65/48/451986548.db2.gz QBKFINUHSWTZJG-AWEZNQCLSA-N 2 0 337.489 1.455 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649319670 451997425 /nfs/dbraw/zinc/99/74/25/451997425.db2.gz PZOJPPZZUMRNDY-IBGZPJMESA-N 2 0 345.487 1.593 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637651638 451998323 /nfs/dbraw/zinc/99/83/23/451998323.db2.gz MBHOOZDUXCHSIZ-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000641492803 452024344 /nfs/dbraw/zinc/02/43/44/452024344.db2.gz GISCJXHAKJUOFE-UAGQMJEPSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)C3CCC([NH3+])CC3)c2)CC1 ZINC000649351647 452035093 /nfs/dbraw/zinc/03/50/93/452035093.db2.gz FRFLCEXKMZJCRT-UHFFFAOYSA-N 2 0 330.476 1.890 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C1CC1 ZINC000643083081 452035579 /nfs/dbraw/zinc/03/55/79/452035579.db2.gz RJFZIIMJHZZPQS-BJZITVGISA-N 2 0 349.519 1.994 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649352822 452036694 /nfs/dbraw/zinc/03/66/94/452036694.db2.gz OJYDPPFAMWMFPP-QZTJIDSGSA-N 2 0 330.476 1.233 20 0 EDADRP [NH3+]C1(CNC(=O)C[C@@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000647090638 452055266 /nfs/dbraw/zinc/05/52/66/452055266.db2.gz HANBLJKJPPRBRK-KRWDZBQOSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@H](C(=O)N1CCCC1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649414427 452074852 /nfs/dbraw/zinc/07/48/52/452074852.db2.gz ZIKIUJMNIKWAPU-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3CCC[NH2+]C3)ccc2[nH]c1=O ZINC000637813612 452096967 /nfs/dbraw/zinc/09/69/67/452096967.db2.gz CWAPTWMCKYKTQC-CYBMUJFWSA-N 2 0 345.447 1.033 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637847810 452113052 /nfs/dbraw/zinc/11/30/52/452113052.db2.gz DNGMBZHZNBSPAK-ZDUSSCGKSA-N 2 0 333.436 1.017 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647187521 452116065 /nfs/dbraw/zinc/11/60/65/452116065.db2.gz PLINEEXYFPKIOF-UHFFFAOYSA-N 2 0 343.468 1.685 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000637859686 452117814 /nfs/dbraw/zinc/11/78/14/452117814.db2.gz XIDGLRQGCUVLNG-KRWDZBQOSA-N 2 0 331.464 1.821 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](n3ccnn3)CC2)CC1 ZINC000639816154 452150071 /nfs/dbraw/zinc/15/00/71/452150071.db2.gz CODJYGZPKRYRLT-GOSISDBHSA-N 2 0 334.512 1.721 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000639816049 452150464 /nfs/dbraw/zinc/15/04/64/452150464.db2.gz GRIWJDJYKBEDIA-KRWDZBQOSA-N 2 0 348.495 1.294 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000645221465 452217237 /nfs/dbraw/zinc/21/72/37/452217237.db2.gz NMZSDFDTGVPSRO-YJBOKZPZSA-N 2 0 332.448 1.263 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccncc2N)cc1 ZINC000641726773 452223128 /nfs/dbraw/zinc/22/31/28/452223128.db2.gz RCWUXZIIMYFKLO-UHFFFAOYSA-N 2 0 327.432 1.245 20 0 EDADRP NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000643452186 452229755 /nfs/dbraw/zinc/22/97/55/452229755.db2.gz LDLJEHKZILAOCI-UOVPBQLFSA-N 2 0 342.487 1.875 20 0 EDADRP COc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000647492977 452237382 /nfs/dbraw/zinc/23/73/82/452237382.db2.gz MIYXZVPZDWHIHP-UHFFFAOYSA-N 2 0 329.391 1.634 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc1 ZINC000647509501 452245595 /nfs/dbraw/zinc/24/55/95/452245595.db2.gz HCTNZSWSRCSWQX-CRAIPNDOSA-N 2 0 346.475 1.561 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnc(N)nc2N)CC1 ZINC000638021025 452264979 /nfs/dbraw/zinc/26/49/79/452264979.db2.gz KVQLMQUTAVWRFI-UHFFFAOYSA-N 2 0 340.475 1.646 20 0 EDADRP C[C@@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500054 452268453 /nfs/dbraw/zinc/26/84/53/452268453.db2.gz REXOKCUSTHRYSW-ZDUSSCGKSA-N 2 0 341.402 1.631 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)cc1 ZINC000659427015 452269430 /nfs/dbraw/zinc/26/94/30/452269430.db2.gz ITQNCXSTHADXDW-URSIVYNOSA-N 2 0 330.476 1.984 20 0 EDADRP C[C@@H]1C[NH2+]C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000647549118 452277277 /nfs/dbraw/zinc/27/72/77/452277277.db2.gz IVYMMZUIFPHGOY-SNRMKQJTSA-N 2 0 344.503 1.472 20 0 EDADRP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487911 452286461 /nfs/dbraw/zinc/28/64/61/452286461.db2.gz PRXQGMJIPDOIFJ-LJIGWXMPSA-N 2 0 349.479 1.035 20 0 EDADRP C[C@@H]([NH3+])CN[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000643528004 452294308 /nfs/dbraw/zinc/29/43/08/452294308.db2.gz XEUNYXOQCOJCBC-MLGOLLRUSA-N 2 0 338.883 1.515 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000659451051 452300599 /nfs/dbraw/zinc/30/05/99/452300599.db2.gz MLAHRUTVHGGLKZ-UHFFFAOYSA-N 2 0 336.480 1.548 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659456946 452308161 /nfs/dbraw/zinc/30/81/61/452308161.db2.gz USXDUDIJCUQKII-UERKLNTKSA-N 2 0 338.496 1.256 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659457758 452310124 /nfs/dbraw/zinc/31/01/24/452310124.db2.gz KLBOSIQLIJSOKI-GUDVDZBRSA-N 2 0 342.487 1.916 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659468437 452323086 /nfs/dbraw/zinc/32/30/86/452323086.db2.gz ATWYEZCQMLQOAI-JEDBISTDSA-N 2 0 342.487 1.914 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@H]1C ZINC000665760741 452332190 /nfs/dbraw/zinc/33/21/90/452332190.db2.gz OKDVLGRTJYCHMJ-BBWFWOEESA-N 2 0 341.544 1.383 20 0 EDADRP C[C@@H](CNC(=O)NCCC1(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000652141138 452334502 /nfs/dbraw/zinc/33/45/02/452334502.db2.gz GXSVEELHHOKUQO-HNNXBMFYSA-N 2 0 330.476 1.861 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000641893789 452340302 /nfs/dbraw/zinc/34/03/02/452340302.db2.gz IFIXOTVZKLDFPP-YESZJQIVSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482052 452341200 /nfs/dbraw/zinc/34/12/00/452341200.db2.gz UGDRXVVHINIUDE-BZZMCLGOSA-N 2 0 348.466 1.978 20 0 EDADRP COC[C@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCCC[NH2+]1 ZINC000638065670 452367692 /nfs/dbraw/zinc/36/76/92/452367692.db2.gz BWNINPBVERZODK-SFHVURJKSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663630131 452369602 /nfs/dbraw/zinc/36/96/02/452369602.db2.gz NAMQATVRHZKNOY-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)c2ccccc2)CC1 ZINC000638076706 452389300 /nfs/dbraw/zinc/38/93/00/452389300.db2.gz MFHUYMRJQCJQMU-AZUAARDMSA-N 2 0 345.487 1.954 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659544198 452403273 /nfs/dbraw/zinc/40/32/73/452403273.db2.gz RAULWUMEKNBKKM-PLNGDYQASA-N 2 0 343.475 1.155 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000659547991 452406172 /nfs/dbraw/zinc/40/61/72/452406172.db2.gz GDHIVXBRNJOKSD-UMVBOHGHSA-N 2 0 338.427 1.316 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000659554999 452410967 /nfs/dbraw/zinc/41/09/67/452410967.db2.gz YAVDUIYUNFKJCW-JLSDUUJJSA-N 2 0 348.491 1.957 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000645473515 452442663 /nfs/dbraw/zinc/44/26/63/452442663.db2.gz RGWJNLINFLYVTC-LJQANCHMSA-N 2 0 345.487 1.798 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659589174 452445468 /nfs/dbraw/zinc/44/54/68/452445468.db2.gz LSMUKVOGDKXADI-DKIMLUQUSA-N 2 0 346.450 1.665 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000659589676 452446835 /nfs/dbraw/zinc/44/68/35/452446835.db2.gz WWVFRMUBZBXFBI-KCMWZYNZSA-N 2 0 346.475 1.519 20 0 EDADRP [NH3+]CCOCC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000645479914 452450637 /nfs/dbraw/zinc/45/06/37/452450637.db2.gz YEKCKIDBAQSDNT-HNNXBMFYSA-N 2 0 325.840 1.568 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659603244 452458649 /nfs/dbraw/zinc/45/86/49/452458649.db2.gz XVKWQZFZUIMHIC-FUHWJXTLSA-N 2 0 349.523 1.083 20 0 EDADRP [NH3+]CCOCC(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000645552630 452519360 /nfs/dbraw/zinc/51/93/60/452519360.db2.gz GWAIGULHRQCXHA-UHFFFAOYSA-N 2 0 348.447 1.415 20 0 EDADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)ncn1 ZINC000647792978 452524402 /nfs/dbraw/zinc/52/44/02/452524402.db2.gz GQSSUKFDGKKJQX-IDCNUPLLSA-N 2 0 329.492 1.986 20 0 EDADRP O[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000647792962 452525086 /nfs/dbraw/zinc/52/50/86/452525086.db2.gz GMMHBLVMTIPEPX-WCIQWLHISA-N 2 0 329.488 1.601 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655708757 452527015 /nfs/dbraw/zinc/52/70/15/452527015.db2.gz OFLWAZAUZKIFBX-HKUYNNGSSA-N 2 0 338.540 1.103 20 0 EDADRP C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000652353268 452527901 /nfs/dbraw/zinc/52/79/01/452527901.db2.gz YLQZCYMQCXFCKN-HOCLYGCPSA-N 2 0 333.480 1.353 20 0 EDADRP Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360386 452540887 /nfs/dbraw/zinc/54/08/87/452540887.db2.gz GJKAMBVHYNZDIK-QRVBRYPASA-N 2 0 345.487 1.972 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655734037 452546008 /nfs/dbraw/zinc/54/60/08/452546008.db2.gz XVNDQRJEJNCDRQ-IPMKNSEASA-N 2 0 337.508 1.207 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000659681323 452554281 /nfs/dbraw/zinc/55/42/81/452554281.db2.gz ZQDLJGGQNLCPPO-IIDMSEBBSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000663849595 452576907 /nfs/dbraw/zinc/57/69/07/452576907.db2.gz KZAAZSQZWYKXNZ-QAPCUYQASA-N 2 0 348.491 1.393 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659698375 452582303 /nfs/dbraw/zinc/58/23/03/452582303.db2.gz KDPGWISQVWITOA-GJZGRUSLSA-N 2 0 340.512 1.056 20 0 EDADRP O=C(C[N@H+](CCCC1CC[NH2+]CC1)C[C@H]1CCCO1)N1CCCC1 ZINC000647889482 452630243 /nfs/dbraw/zinc/63/02/43/452630243.db2.gz VIARCMDPTFJYKK-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCc2noc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000655937004 452706297 /nfs/dbraw/zinc/70/62/97/452706297.db2.gz SCKGJYPLUZAHAE-OAHLLOKOSA-N 2 0 342.443 1.514 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCc1noc2ccccc12 ZINC000655939217 452708806 /nfs/dbraw/zinc/70/88/06/452708806.db2.gz MIDWVJXWNVZORI-CQSZACIVSA-N 2 0 330.432 1.690 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978559 452724180 /nfs/dbraw/zinc/72/41/80/452724180.db2.gz UWCGNRXLHQZQFM-JKSUJKDBSA-N 2 0 348.491 1.563 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000655956176 452733349 /nfs/dbraw/zinc/73/33/49/452733349.db2.gz OLDPPBZPXZYZCM-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655958518 452739617 /nfs/dbraw/zinc/73/96/17/452739617.db2.gz LXQGPQFEKYYGHN-RRQGHBQHSA-N 2 0 344.459 1.778 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000652580820 452755452 /nfs/dbraw/zinc/75/54/52/452755452.db2.gz CDUVFYFQVZROPR-UHFFFAOYSA-N 2 0 344.419 1.500 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658146939 452755858 /nfs/dbraw/zinc/75/58/58/452755858.db2.gz WOMIFPUHFLZNBQ-VQIMIIECSA-N 2 0 347.503 1.990 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072250 452800899 /nfs/dbraw/zinc/80/08/99/452800899.db2.gz TWALLJMLVFZOFK-UHFFFAOYSA-N 2 0 341.459 1.872 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000664128467 452809023 /nfs/dbraw/zinc/80/90/23/452809023.db2.gz KQRKAOZLWCZIRN-TZMCWYRMSA-N 2 0 335.452 1.016 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656078147 452844957 /nfs/dbraw/zinc/84/49/57/452844957.db2.gz GZNBUBVZYYCVMQ-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CCN2CCOCC2)CC2CC2)CC[N@@H+]1C ZINC000664215687 452888861 /nfs/dbraw/zinc/88/88/61/452888861.db2.gz CNKMVUAZSGGYAQ-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000652734921 452895231 /nfs/dbraw/zinc/89/52/31/452895231.db2.gz MHVBFQBSMKHGKJ-HNNXBMFYSA-N 2 0 347.463 1.785 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645966739 452949925 /nfs/dbraw/zinc/94/99/25/452949925.db2.gz ZMPRJDXGCZXDCR-KRWDZBQOSA-N 2 0 331.460 1.775 20 0 EDADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000656198820 452954725 /nfs/dbraw/zinc/95/47/25/452954725.db2.gz ZNPAEUYINJWGAE-VBQJREDUSA-N 2 0 348.495 1.067 20 0 EDADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000662286969 453011430 /nfs/dbraw/zinc/01/14/30/453011430.db2.gz VIPWLADIXNHHAX-RRFJBIMHSA-N 2 0 336.484 1.189 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@@H]32)[C@@H]1CCC[NH3+] ZINC000662313607 453031279 /nfs/dbraw/zinc/03/12/79/453031279.db2.gz JJHPXZUOZMIKDY-ZJPYXAASSA-N 2 0 337.508 1.996 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000660120913 453046500 /nfs/dbraw/zinc/04/65/00/453046500.db2.gz QDSGSXWQKLHEME-UHFFFAOYSA-N 2 0 348.495 1.051 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000666674538 453058928 /nfs/dbraw/zinc/05/89/28/453058928.db2.gz UOLUGSBWXSUMCS-OAHLLOKOSA-N 2 0 331.464 1.620 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C[C@H](C)O1 ZINC000662368228 453079080 /nfs/dbraw/zinc/07/90/80/453079080.db2.gz NEOYAHYEOZQRHD-BETUJISGSA-N 2 0 337.489 1.623 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1([NH3+])CCC1 ZINC000646066151 453080770 /nfs/dbraw/zinc/08/07/70/453080770.db2.gz WFJRGWLJLYPREQ-INIZCTEOSA-N 2 0 330.476 1.585 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000666723833 453099419 /nfs/dbraw/zinc/09/94/19/453099419.db2.gz OVXQAXBICDKTFQ-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000662393779 453104519 /nfs/dbraw/zinc/10/45/19/453104519.db2.gz JTSKWRVFHVZIBB-MJGOQNOKSA-N 2 0 339.439 1.695 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662401817 453113371 /nfs/dbraw/zinc/11/33/71/453113371.db2.gz BNVMSPMCFZFRGI-ZIAGYGMSSA-N 2 0 333.480 1.727 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662451498 453159286 /nfs/dbraw/zinc/15/92/86/453159286.db2.gz CPBHPUYKGRKCSR-OAHLLOKOSA-N 2 0 332.448 1.842 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000652989790 453179334 /nfs/dbraw/zinc/17/93/34/453179334.db2.gz UYQUOPKTMYTLOO-HXUWFJFHSA-N 2 0 345.487 1.568 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000646186655 453200234 /nfs/dbraw/zinc/20/02/34/453200234.db2.gz DIJZKNQMZSGSMZ-HZPDHXFCSA-N 3 0 348.495 1.019 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)cn2)CC1 ZINC000648737402 453224712 /nfs/dbraw/zinc/22/47/12/453224712.db2.gz NPDBYKDJFNYXED-NVXWUHKLSA-N 2 0 345.491 1.180 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000648759915 453242155 /nfs/dbraw/zinc/24/21/55/453242155.db2.gz ZVNZLNDBASLOKW-GDBMZVCRSA-N 2 0 349.475 1.592 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662535507 453259335 /nfs/dbraw/zinc/25/93/35/453259335.db2.gz GNYAXKGKEGPKMO-CYBMUJFWSA-N 2 0 325.478 1.480 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)COCC[NH3+] ZINC000646254415 453259392 /nfs/dbraw/zinc/25/93/92/453259392.db2.gz OTZQYEJIPYKRGK-UHFFFAOYSA-N 2 0 347.381 1.571 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662567188 453294618 /nfs/dbraw/zinc/29/46/18/453294618.db2.gz IQXMRMRQAGXROT-VCBZYWHSSA-N 2 0 341.455 1.987 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662575324 453301164 /nfs/dbraw/zinc/30/11/64/453301164.db2.gz RKUYPZPYYWJRTO-MSOLQXFVSA-N 2 0 329.444 1.648 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCCC2)o1 ZINC000653115247 453303217 /nfs/dbraw/zinc/30/32/17/453303217.db2.gz IFTGWZFPULJUAM-DAYGRLMNSA-N 2 0 333.432 1.077 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000653124923 453319803 /nfs/dbraw/zinc/31/98/03/453319803.db2.gz MEQZTHDAKNUMQD-KRWDZBQOSA-N 2 0 345.491 1.229 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000662614234 453334506 /nfs/dbraw/zinc/33/45/06/453334506.db2.gz NZAHJRBBLYKHOE-IEBWSBKVSA-N 2 0 335.492 1.383 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000667050256 453366691 /nfs/dbraw/zinc/36/66/91/453366691.db2.gz YRAAPTSGICZIGH-CQSZACIVSA-N 2 0 346.475 1.581 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662659926 453373861 /nfs/dbraw/zinc/37/38/61/453373861.db2.gz XTKKKLVUZSYQSA-SHTZXODSSA-N 2 0 332.448 1.434 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662669314 453382278 /nfs/dbraw/zinc/38/22/78/453382278.db2.gz WYFCKZVGNPBPRI-KBPBESRZSA-N 2 0 331.464 1.623 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000658779738 453385979 /nfs/dbraw/zinc/38/59/79/453385979.db2.gz SXLXPDVAMHDRQI-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662680817 453399541 /nfs/dbraw/zinc/39/95/41/453399541.db2.gz ZCWUVBFTRKGLBV-GOEBONIOSA-N 2 0 333.480 1.727 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000667094506 453401982 /nfs/dbraw/zinc/40/19/82/453401982.db2.gz UJFXZBVNXIMGLD-OAHLLOKOSA-N 2 0 344.459 1.260 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000662683268 453404185 /nfs/dbraw/zinc/40/41/85/453404185.db2.gz PZODCWBCEQXUAM-KOHRHEQBSA-N 2 0 331.435 1.987 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655298235 453418302 /nfs/dbraw/zinc/41/83/02/453418302.db2.gz ALSIEDINTBFXFT-RCCFBDPRSA-N 2 0 331.460 1.347 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000662699846 453419458 /nfs/dbraw/zinc/41/94/58/453419458.db2.gz DOBUJJYXNXRZOP-HZPDHXFCSA-N 2 0 335.473 1.538 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662700815 453422167 /nfs/dbraw/zinc/42/21/67/453422167.db2.gz LMEBPXIYHYYUBE-HZPDHXFCSA-N 2 0 348.495 1.443 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000662716838 453440893 /nfs/dbraw/zinc/44/08/93/453440893.db2.gz WYUQHDWPLXHUJY-ROUUACIJSA-N 2 0 343.471 1.393 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000653258754 453441482 /nfs/dbraw/zinc/44/14/82/453441482.db2.gz NEPJUOJKNGABCS-YSHGAJCASA-N 2 0 343.471 1.761 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000667167434 453449683 /nfs/dbraw/zinc/44/96/83/453449683.db2.gz DCLSPKZIGDKBCY-UHFFFAOYSA-N 2 0 332.448 1.466 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C ZINC000662743794 453471878 /nfs/dbraw/zinc/47/18/78/453471878.db2.gz UDTOHSZHORNBHX-OAGGEKHMSA-N 2 0 348.495 1.538 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000662788011 453522063 /nfs/dbraw/zinc/52/20/63/453522063.db2.gz FVTHEFGPYQPBPB-OALUTQOASA-N 2 0 345.487 1.517 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000667264499 453523769 /nfs/dbraw/zinc/52/37/69/453523769.db2.gz OLBLYFWWKQJURE-QGZVFWFLSA-N 2 0 346.475 1.725 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662791989 453527780 /nfs/dbraw/zinc/52/77/80/453527780.db2.gz UJXHDUJWJURLSC-AWEZNQCLSA-N 2 0 349.479 1.111 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)CC2)c1 ZINC000655447135 453534203 /nfs/dbraw/zinc/53/42/03/453534203.db2.gz RKOKYSOSICEYER-QAPCUYQASA-N 2 0 330.432 1.129 20 0 EDADRP CN(C)Cc1cc(NC(=O)C(=O)NCC[NH2+]C2CC2)ccc1Cl ZINC000667295392 453542035 /nfs/dbraw/zinc/54/20/35/453542035.db2.gz FFHSFPDGHHXUHO-UHFFFAOYSA-N 2 0 338.839 1.208 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000662832252 453558818 /nfs/dbraw/zinc/55/88/18/453558818.db2.gz GWKCMOMJMDCAHA-MSOLQXFVSA-N 2 0 331.460 1.708 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834424 453561375 /nfs/dbraw/zinc/56/13/75/453561375.db2.gz HGYKSKVPMBAAJD-GOEBONIOSA-N 2 0 332.448 1.888 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851693 453571674 /nfs/dbraw/zinc/57/16/74/453571674.db2.gz BXQZKCDBFBJXIY-UONOGXRCSA-N 2 0 334.468 1.195 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662859478 453573702 /nfs/dbraw/zinc/57/37/02/453573702.db2.gz NGRLHIINHJBHHD-IPMKNSEASA-N 2 0 343.471 1.400 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000662865764 453578607 /nfs/dbraw/zinc/57/86/07/453578607.db2.gz HDWZJYFUYMIKAK-JIMOISOXSA-N 2 0 333.329 1.509 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000660821979 453587041 /nfs/dbraw/zinc/58/70/41/453587041.db2.gz MGMMUJNCJLKXCL-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP CN(C(=O)[C@H]1CCCC[C@]1(C)[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899096 453593904 /nfs/dbraw/zinc/59/39/04/453593904.db2.gz BDGXCMIIVWDQSP-SCTDSRPQSA-N 2 0 336.524 1.521 20 0 EDADRP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900168 453594336 /nfs/dbraw/zinc/59/43/36/453594336.db2.gz JRAATRFBDDDIBD-KRWDZBQOSA-N 2 0 342.487 1.530 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N(CCN1CCOCC1)CC1CC1 ZINC000662910127 453598410 /nfs/dbraw/zinc/59/84/10/453598410.db2.gz LCGBHJLHRGZZIJ-IBGZPJMESA-N 2 0 343.471 1.272 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000665173617 453600725 /nfs/dbraw/zinc/60/07/25/453600725.db2.gz UKWNZZLDGQZYCO-VMBOVVBDSA-N 2 0 338.496 1.100 20 0 EDADRP N[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000662914757 453600845 /nfs/dbraw/zinc/60/08/45/453600845.db2.gz FDVFGMQMGJMVIZ-CJNGLKHVSA-N 2 0 339.386 1.334 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000662971250 453629754 /nfs/dbraw/zinc/62/97/54/453629754.db2.gz DYLAJFAQOYSOAQ-LJQANCHMSA-N 2 0 327.472 1.939 20 0 EDADRP C[C@@H](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000662973010 453630905 /nfs/dbraw/zinc/63/09/05/453630905.db2.gz NXDONPZNYVKIIG-RDJZCZTQSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000665280935 453634638 /nfs/dbraw/zinc/63/46/38/453634638.db2.gz POXNIRJZFVZLLF-CZUORRHYSA-N 2 0 327.494 1.961 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000663002417 453642548 /nfs/dbraw/zinc/64/25/48/453642548.db2.gz FPERRMXTQXWFAB-CABCVRRESA-N 2 0 331.464 1.338 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)[C@@H]1CCC[NH3+] ZINC000659376383 453732206 /nfs/dbraw/zinc/73/22/06/453732206.db2.gz LUJVYBNHJSCOGC-IJEWVQPXSA-N 2 0 334.468 1.010 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657305435 453762625 /nfs/dbraw/zinc/76/26/25/453762625.db2.gz XQGDQYIGZOWTEY-LJQANCHMSA-N 2 0 347.503 1.970 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657307185 453763136 /nfs/dbraw/zinc/76/31/36/453763136.db2.gz CCSQAKMUOUGYIR-FQEVSTJZSA-N 2 0 347.503 1.972 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000663401415 453790247 /nfs/dbraw/zinc/79/02/47/453790247.db2.gz NMMUNQSJOYQPJW-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CCN(C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000663480843 453805786 /nfs/dbraw/zinc/80/57/86/453805786.db2.gz UDPOJTPOPCGOJL-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496229 453810361 /nfs/dbraw/zinc/81/03/61/453810361.db2.gz DVBIZHORDXYGAL-GUYCJALGSA-N 2 0 336.505 1.507 20 0 EDADRP Cc1ncsc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513641 453813468 /nfs/dbraw/zinc/81/34/68/453813468.db2.gz SUFBDAKYJWLXHP-CQSZACIVSA-N 2 0 346.504 1.964 20 0 EDADRP Cc1cc(CO)cc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)n1 ZINC000663528861 453816684 /nfs/dbraw/zinc/81/66/84/453816684.db2.gz BJVIYZPOZFPCBC-UHFFFAOYSA-N 2 0 342.443 1.786 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000614437943 486654457 /nfs/dbraw/zinc/65/44/57/486654457.db2.gz LAUNFYLPOWYFAL-CVEARBPZSA-N 2 0 341.521 1.137 20 0 EDADRP C[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)[C@@H]1CCC[NH2+]C1 ZINC000515164893 486735116 /nfs/dbraw/zinc/73/51/16/486735116.db2.gz XTVYNMFANFZXKW-NVXWUHKLSA-N 2 0 325.460 2.533 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C3CC(NS(C)(=O)=O)C3)CC2)C1 ZINC000670271382 486776208 /nfs/dbraw/zinc/77/62/08/486776208.db2.gz MAFBVZOUYARCMD-MFNRNEDNSA-N 2 0 343.537 1.699 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[NH+](CCO)C(C)(C)C1)Cc1ccccc1 ZINC000672756733 486792517 /nfs/dbraw/zinc/79/25/17/486792517.db2.gz GYNXTRWSCZBWOR-UHFFFAOYSA-N 2 0 348.491 1.217 20 0 EDADRP CC[N@@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@@H]1C ZINC000683812558 486824964 /nfs/dbraw/zinc/82/49/64/486824964.db2.gz BCPAPHDXGYLQCK-AWEZNQCLSA-N 2 0 334.468 1.708 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC[C@H]1[NH3+] ZINC000667546864 486837209 /nfs/dbraw/zinc/83/72/09/486837209.db2.gz UIBMLETUZQMEGV-JKSUJKDBSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H](CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000673015665 486880688 /nfs/dbraw/zinc/88/06/88/486880688.db2.gz ZKVYLQIRCHJJMH-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000680890542 486885941 /nfs/dbraw/zinc/88/59/41/486885941.db2.gz INYALSPIDKDDOU-QGZVFWFLSA-N 2 0 330.476 1.547 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)c1 ZINC000431016794 486902163 /nfs/dbraw/zinc/90/21/63/486902163.db2.gz LGDGFCQYFCGZCM-MOPGFXCFSA-N 2 0 344.503 1.751 20 0 EDADRP CO[C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000667680295 486911365 /nfs/dbraw/zinc/91/13/65/486911365.db2.gz CGDJJGLZNKXKBS-SJLPKXTDSA-N 2 0 346.475 1.525 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(O[C@@H]2CCOC2)cc1 ZINC000684048408 486924720 /nfs/dbraw/zinc/92/47/20/486924720.db2.gz SJKXCHCTYVYNMU-GOSISDBHSA-N 2 0 349.475 1.420 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCO1 ZINC000667804527 486973916 /nfs/dbraw/zinc/97/39/16/486973916.db2.gz BGNDCPIQGNEQRV-AWEZNQCLSA-N 2 0 347.463 1.350 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684199327 486982677 /nfs/dbraw/zinc/98/26/77/486982677.db2.gz NLYOXIRKDDASNB-SJORKVTESA-N 2 0 332.496 1.027 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673446151 487003188 /nfs/dbraw/zinc/00/31/88/487003188.db2.gz GNHJVYSZPUUTEQ-IBGZPJMESA-N 2 0 342.487 1.402 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000673673815 487087785 /nfs/dbraw/zinc/08/77/85/487087785.db2.gz YDCSYFVJUBGHON-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP CN(Cc1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668162175 487125079 /nfs/dbraw/zinc/12/50/79/487125079.db2.gz QJCBSAIQCKPPCQ-KRWDZBQOSA-N 2 0 331.508 1.898 20 0 EDADRP C[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CCCCC1)[NH+](C)C ZINC000674264443 487225087 /nfs/dbraw/zinc/22/50/87/487225087.db2.gz HYHKQRHZXMMEPC-OFQRWUPVSA-N 2 0 340.512 1.068 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674327376 487237505 /nfs/dbraw/zinc/23/75/05/487237505.db2.gz DVZLAZIVFGEKAT-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)CCOc1ccc(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000678237030 487269065 /nfs/dbraw/zinc/26/90/65/487269065.db2.gz CLWDOPPBNPPCKD-PMACEKPBSA-N 2 0 347.503 1.658 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)c1 ZINC000681994083 487274836 /nfs/dbraw/zinc/27/48/36/487274836.db2.gz KWERGHJDQMBOBC-UHFFFAOYSA-N 2 0 334.464 1.669 20 0 EDADRP C[C@@H]1C[C@H](N2CCOCC2)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441694 487275334 /nfs/dbraw/zinc/27/53/34/487275334.db2.gz LGYQVLUGWFHGOP-MJGOQNOKSA-N 2 0 347.503 1.922 20 0 EDADRP CN(c1ccccc1C[NH2+]CCc1nnnn1C)C1CC[NH+](C)CC1 ZINC000678499091 487320314 /nfs/dbraw/zinc/32/03/14/487320314.db2.gz IRLQJFRIUKWNHZ-UHFFFAOYSA-N 2 0 343.479 1.073 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114106 487379807 /nfs/dbraw/zinc/37/98/07/487379807.db2.gz FSADUQOQLUXFFY-YOEHRIQHSA-N 2 0 329.448 1.396 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000679381980 487420067 /nfs/dbraw/zinc/42/00/67/487420067.db2.gz QZXHPWMRGCAFCQ-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP OCC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CCO)C3)COC2)C1 ZINC000679850160 487468723 /nfs/dbraw/zinc/46/87/23/487468723.db2.gz AGPYQIRBJOMOGD-ROUUACIJSA-N 2 0 340.508 1.192 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669528946 485504297 /nfs/dbraw/zinc/50/42/97/485504297.db2.gz VICJIQMCGCKGHS-HPFXQQBRSA-N 2 0 334.508 1.890 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)c1 ZINC000669139238 485730175 /nfs/dbraw/zinc/73/01/75/485730175.db2.gz SLBSROZJVDWGCB-WMZOPIPTSA-N 2 0 346.475 1.520 20 0 EDADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584405355 485855648 /nfs/dbraw/zinc/85/56/48/485855648.db2.gz BGZFZABUTHKIJG-OLMNPRSZSA-N 2 0 339.455 1.100 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)cc1 ZINC000668542965 485872778 /nfs/dbraw/zinc/87/27/78/485872778.db2.gz TUADQAZGDSUOCQ-SJLPKXTDSA-N 2 0 331.460 1.728 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000668644661 485990438 /nfs/dbraw/zinc/99/04/38/485990438.db2.gz BOMUNXXZEGTYBL-NVXWUHKLSA-N 2 0 346.475 1.822 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CCCC[NH2+]3)CC2)c1 ZINC000237719235 485998987 /nfs/dbraw/zinc/99/89/87/485998987.db2.gz SLKWORFGHJZHHF-SFHVURJKSA-N 2 0 344.503 1.765 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707288 486009420 /nfs/dbraw/zinc/00/94/20/486009420.db2.gz HEXMXYWEQJTMHE-DNVCBOLYSA-N 2 0 345.487 1.864 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669463816 486215928 /nfs/dbraw/zinc/21/59/28/486215928.db2.gz FHDBJJIMFOZJMM-HZPDHXFCSA-N 2 0 336.480 1.025 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000669462469 486216324 /nfs/dbraw/zinc/21/63/24/486216324.db2.gz HHAGFQKKNBNAQE-QGZVFWFLSA-N 2 0 348.491 1.611 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483563 486248954 /nfs/dbraw/zinc/24/89/54/486248954.db2.gz BGQZROMOSYVLCZ-GOSISDBHSA-N 2 0 348.491 1.749 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000669491361 486263570 /nfs/dbraw/zinc/26/35/70/486263570.db2.gz WPWLIAAAOODYSX-IRXDYDNUSA-N 2 0 334.508 1.890 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406107 486448592 /nfs/dbraw/zinc/44/85/92/486448592.db2.gz GTOVHBIGPABWKY-QZTJIDSGSA-N 2 0 330.476 1.186 20 0 EDADRP C[C@H](NC(=O)NCc1ccnc(N2CCCC2)c1)[C@H]1CN(C)CCO1 ZINC000133083217 491219265 /nfs/dbraw/zinc/21/92/65/491219265.db2.gz YUHPCTOJSCIFKY-GOEBONIOSA-N 2 0 347.463 1.200 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000080155828 491171345 /nfs/dbraw/zinc/17/13/45/491171345.db2.gz MGCUKMGYGWTZDX-MQVJKMGUSA-N 2 0 338.496 1.412 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000353502313 534902563 /nfs/dbraw/zinc/90/25/63/534902563.db2.gz PNXBSIQGEADAMH-QGZVFWFLSA-N 2 0 346.475 1.840 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]3CCC[C@@H]32)C1 ZINC000075769171 535118371 /nfs/dbraw/zinc/11/83/71/535118371.db2.gz WMRHDELWPDOYEU-KURKYZTESA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000345629922 535143911 /nfs/dbraw/zinc/14/39/11/535143911.db2.gz AUVJEBGHRCKRLI-UHFFFAOYSA-N 2 0 325.497 1.676 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC)CC1 ZINC000074319809 535216854 /nfs/dbraw/zinc/21/68/54/535216854.db2.gz XHVCRVTWVBTLBC-CQSZACIVSA-N 2 0 326.485 1.665 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333388951 535330482 /nfs/dbraw/zinc/33/04/82/535330482.db2.gz ONBRFHINIBESBX-HZPDHXFCSA-N 2 0 338.496 1.127 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333388949 535330510 /nfs/dbraw/zinc/33/05/10/535330510.db2.gz ONBRFHINIBESBX-CVEARBPZSA-N 2 0 338.496 1.127 20 0 EDADRP CC[NH+](CC)CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000347875500 535488247 /nfs/dbraw/zinc/48/82/47/535488247.db2.gz MIQYOJSFOHSGHS-MAUKXSAKSA-N 2 0 335.496 1.603 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)cc1 ZINC000262633469 535539542 /nfs/dbraw/zinc/53/95/42/535539542.db2.gz HOEACDKKPCOOFB-HZPDHXFCSA-N 2 0 346.475 1.824 20 0 EDADRP CN(C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC([NH3+])C1 ZINC000333150709 536022951 /nfs/dbraw/zinc/02/29/51/536022951.db2.gz FDTXEMRGSGSLTB-UHFFFAOYSA-N 2 0 340.537 1.869 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000237088238 536115339 /nfs/dbraw/zinc/11/53/39/536115339.db2.gz DMYQQQVCZWPOKI-CYBMUJFWSA-N 2 0 334.439 1.904 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000262105927 536303258 /nfs/dbraw/zinc/30/32/58/536303258.db2.gz MHKYHQVPXFVGKD-IBGZPJMESA-N 3 0 344.503 1.262 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000237164710 536339693 /nfs/dbraw/zinc/33/96/93/536339693.db2.gz RKOUTNQGPNYGPC-UHFFFAOYSA-N 2 0 330.476 1.434 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000237166203 536342628 /nfs/dbraw/zinc/34/26/28/536342628.db2.gz NRLOIZSQLQZUJY-INIZCTEOSA-N 2 0 345.447 1.593 20 0 EDADRP CC(C)Nc1ncnc2c1ncn2C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000729465247 578576179 /nfs/dbraw/zinc/57/61/79/578576179.db2.gz IEDAHLULQXYVKR-UHFFFAOYSA-N 2 0 331.468 1.878 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729690162 578588052 /nfs/dbraw/zinc/58/80/52/578588052.db2.gz XYKKFOGWAMMUCV-GOSISDBHSA-N 2 0 338.540 1.642 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760477526 580031646 /nfs/dbraw/zinc/03/16/46/580031646.db2.gz IGLICUJPZDZINK-GOSISDBHSA-N 2 0 348.560 1.965 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732448210 578712700 /nfs/dbraw/zinc/71/27/00/578712700.db2.gz FPZAHNAHLSCBNY-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000735330647 578876700 /nfs/dbraw/zinc/87/67/00/578876700.db2.gz GQGCNFFAATWKDR-SJLPKXTDSA-N 2 0 333.476 1.595 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3CCC4(CCOCC4)C3=O)C2)CC1 ZINC000777542148 580444041 /nfs/dbraw/zinc/44/40/41/580444041.db2.gz RFGBSUROQRZQGK-KRWDZBQOSA-N 2 0 335.492 1.637 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556053 579648829 /nfs/dbraw/zinc/64/88/29/579648829.db2.gz MQBXDBMVBIWIRH-GJZGRUSLSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cn1 ZINC000747556728 579648845 /nfs/dbraw/zinc/64/88/45/579648845.db2.gz IVOWCLNASWCVND-KRWDZBQOSA-N 2 0 348.495 1.927 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512478 579729112 /nfs/dbraw/zinc/72/91/12/579729112.db2.gz AIPARBZFDARIKL-LPHOPBHVSA-N 2 0 343.471 1.999 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(F)nc2)CC1 ZINC000778175792 580458063 /nfs/dbraw/zinc/45/80/63/580458063.db2.gz BHIFUAWWNJZKKZ-UHFFFAOYSA-N 2 0 336.455 1.937 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000754711259 579909887 /nfs/dbraw/zinc/90/98/87/579909887.db2.gz KVWJPDCEQKHJFL-KGLIPLIRSA-N 2 0 334.489 1.555 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000766705072 580172310 /nfs/dbraw/zinc/17/23/10/580172310.db2.gz PGHOBCZHTQDREI-UHFFFAOYSA-N 2 0 344.569 1.493 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12)CN1CC[NH+](C)CC1 ZINC000775381234 580389780 /nfs/dbraw/zinc/38/97/80/580389780.db2.gz REIZSIVKNMKEOR-FPCVCCKLSA-N 2 0 329.579 1.839 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775393118 580389982 /nfs/dbraw/zinc/38/99/82/580389982.db2.gz DJMZGUJPXWAUFQ-OWCLPIDISA-N 2 0 329.579 1.982 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000776605022 580423907 /nfs/dbraw/zinc/42/39/07/580423907.db2.gz XBHHIPKSEGUYIF-TWGQIWQCSA-N 2 0 331.460 1.851 20 0 EDADRP Cn1cncc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989709 580610492 /nfs/dbraw/zinc/61/04/92/580610492.db2.gz IANKFWXLNSOSNF-DLBZAZTESA-N 2 0 345.491 1.357 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000786764987 580678366 /nfs/dbraw/zinc/67/83/66/580678366.db2.gz GBMSIGQYRDEICF-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786830341 580680578 /nfs/dbraw/zinc/68/05/78/580680578.db2.gz DFRLEHAYJXKHOQ-HZPDHXFCSA-N 2 0 345.491 1.503 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NOCC(F)F ZINC000792880501 580830100 /nfs/dbraw/zinc/83/01/00/580830100.db2.gz ZNISBQPPCMQMOD-UHFFFAOYSA-N 2 0 343.378 1.090 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795899520 580940676 /nfs/dbraw/zinc/94/06/76/580940676.db2.gz NCDBQUGEIFGSHE-MRXNPFEDSA-N 2 0 325.497 1.535 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000799202219 581022195 /nfs/dbraw/zinc/02/21/95/581022195.db2.gz MRVWOBRZIMKZSL-HUUCEWRRSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@@H](O)C[C@@H](C)C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000893043383 590632427 /nfs/dbraw/zinc/63/24/27/590632427.db2.gz XAWHTTREBXWSME-HUUCEWRRSA-N 2 0 343.512 1.972 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891893509 590675380 /nfs/dbraw/zinc/67/53/80/590675380.db2.gz WKNOMJQNFSPTHG-MOPGFXCFSA-N 2 0 342.487 1.780 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC[NH+](C)CC1 ZINC000891909042 590683974 /nfs/dbraw/zinc/68/39/74/590683974.db2.gz ZFKZZAXXZVQOAW-KGLIPLIRSA-N 2 0 326.510 1.350 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000891980160 590722245 /nfs/dbraw/zinc/72/22/45/590722245.db2.gz SIYLSUNJQBILKJ-YOEHRIQHSA-N 2 0 332.448 1.351 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000892001995 590737998 /nfs/dbraw/zinc/73/79/98/590737998.db2.gz ZLNHJYYDLMWGCN-WMLDXEAASA-N 2 0 332.448 1.351 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000892009566 590740969 /nfs/dbraw/zinc/74/09/69/590740969.db2.gz LQOXCMZCIFNUMM-AGIUHOORSA-N 2 0 336.402 1.673 20 0 EDADRP C[C@@]12CN(C(=O)N[C@H]3CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892017113 590748462 /nfs/dbraw/zinc/74/84/62/590748462.db2.gz RFFCVKKWAOJBHZ-CMKODMSKSA-N 2 0 342.487 1.902 20 0 EDADRP Cc1ccc(CN2CCO[C@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892019700 590750813 /nfs/dbraw/zinc/75/08/13/590750813.db2.gz RIXHDOFLJIDMBS-MSOLQXFVSA-N 2 0 348.491 1.478 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+]CCCN2CC[NH+](CC)CC2)s1 ZINC000893327759 590781526 /nfs/dbraw/zinc/78/15/26/590781526.db2.gz OUENNMTVXBRMCR-UHFFFAOYSA-N 2 0 340.493 1.437 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000892090572 590794151 /nfs/dbraw/zinc/79/41/51/590794151.db2.gz GJMOMEBSEKYRCV-ROUUACIJSA-N 2 0 346.475 1.869 20 0 EDADRP [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892156685 590828063 /nfs/dbraw/zinc/82/80/63/590828063.db2.gz RCSYNFLBFWQBFI-CYBMUJFWSA-N 2 0 346.809 1.808 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892187270 590855406 /nfs/dbraw/zinc/85/54/06/590855406.db2.gz KGJMOPVDCIRUFX-FJIDUMEYSA-N 2 0 328.460 1.388 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892281033 590911261 /nfs/dbraw/zinc/91/12/61/590911261.db2.gz FCGUFWYGMJFGRS-RDJZCZTQSA-N 2 0 340.512 1.552 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccco1 ZINC000892410904 591016883 /nfs/dbraw/zinc/01/68/83/591016883.db2.gz DFUROPZHGWATBH-OWCLPIDISA-N 2 0 334.464 1.866 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C2 ZINC000892412741 591017782 /nfs/dbraw/zinc/01/77/82/591017782.db2.gz DUYVGCALXJUWCG-QRQLOZEOSA-N 2 0 330.476 1.588 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000892432954 591027021 /nfs/dbraw/zinc/02/70/21/591027021.db2.gz BBVVDPOLDORILI-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892443289 591031040 /nfs/dbraw/zinc/03/10/40/591031040.db2.gz YMEVNGQWZVWDDI-WKILWMFISA-N 2 0 340.512 1.646 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000891364497 591062116 /nfs/dbraw/zinc/06/21/16/591062116.db2.gz VIYJOMBMJQDUHB-FGTMMUONSA-N 2 0 330.476 1.873 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C2CCS(=O)CC2)[C@H](c2ccccc2)C1 ZINC000892553794 591070364 /nfs/dbraw/zinc/07/03/64/591070364.db2.gz RQXFMVWKQHNEDF-SZTYLXMGSA-N 2 0 349.544 1.866 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000893741917 591072420 /nfs/dbraw/zinc/07/24/20/591072420.db2.gz WKBSWYGYLFANIY-SJORKVTESA-N 2 0 340.512 1.442 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000893743639 591072596 /nfs/dbraw/zinc/07/25/96/591072596.db2.gz QRZZERNVBZFELF-HYVNUMGLSA-N 2 0 338.496 1.005 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000892584141 591081606 /nfs/dbraw/zinc/08/16/06/591081606.db2.gz XYOHCMLTJAVULT-SAABIXHNSA-N 2 0 330.476 1.950 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)[NH+](C)C)c1 ZINC000891539043 591113729 /nfs/dbraw/zinc/11/37/29/591113729.db2.gz JGPGEHVDUCKMMB-YJBOKZPZSA-N 2 0 348.491 1.939 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)[NH+](C)C)c1 ZINC000891539363 591116272 /nfs/dbraw/zinc/11/62/72/591116272.db2.gz RUISJKWVGTYJKG-BPQIPLTHSA-N 2 0 346.475 1.643 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000891565642 591127820 /nfs/dbraw/zinc/12/78/20/591127820.db2.gz QUTNLHQLTRDALE-GVDBMIGSSA-N 2 0 340.512 1.646 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891579860 591132825 /nfs/dbraw/zinc/13/28/25/591132825.db2.gz MUWQOHOTNVVENZ-MRXNPFEDSA-N 2 0 339.528 1.091 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3oc(=O)oc3c2)CC1 ZINC000893976761 591153877 /nfs/dbraw/zinc/15/38/77/591153877.db2.gz BWCMOOPZOISZIC-UHFFFAOYSA-N 2 0 347.415 1.276 20 0 EDADRP CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892776452 591172106 /nfs/dbraw/zinc/17/21/06/591172106.db2.gz OBFCOTPPIRLKII-JKSUJKDBSA-N 2 0 336.480 1.023 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000894029074 591175203 /nfs/dbraw/zinc/17/52/03/591175203.db2.gz KOYZSRIRVXQXJM-KBAYOESNSA-N 2 0 330.476 1.852 20 0 EDADRP CN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892788626 591178606 /nfs/dbraw/zinc/17/86/06/591178606.db2.gz FFCWZPCUDRCUGR-SOABOVLPSA-N 2 0 328.460 1.625 20 0 EDADRP [NH3+]CC1(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000891695068 591187383 /nfs/dbraw/zinc/18/73/83/591187383.db2.gz WMNGUKKSPGXIEL-HOTGVXAUSA-N 2 0 338.496 1.325 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000891694172 591188051 /nfs/dbraw/zinc/18/80/51/591188051.db2.gz KAVNVBQXEVHJFF-IAGOWNOFSA-N 2 0 340.512 1.525 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCCCC[C@@H]([NH3+])C2)ccn1 ZINC000891728353 591201233 /nfs/dbraw/zinc/20/12/33/591201233.db2.gz XFMLNDDKMNELGC-MRXNPFEDSA-N 2 0 349.479 1.435 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000891729305 591201730 /nfs/dbraw/zinc/20/17/30/591201730.db2.gz QUCBWOMUSKRGCD-IYBDPMFKSA-N 2 0 340.512 1.517 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891748506 591209496 /nfs/dbraw/zinc/20/94/96/591209496.db2.gz RSAVPYUOQCINFT-QZTJIDSGSA-N 2 0 343.475 1.834 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000891777124 591221439 /nfs/dbraw/zinc/22/14/39/591221439.db2.gz LZCYHBGTWBUNDY-KBPBESRZSA-N 2 0 332.439 1.795 20 0 EDADRP COC(=O)c1sccc1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000892950752 591236871 /nfs/dbraw/zinc/23/68/71/591236871.db2.gz GRRWZNNUFDABCR-CQSZACIVSA-N 2 0 326.462 1.861 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232080 591238400 /nfs/dbraw/zinc/23/84/00/591238400.db2.gz BTGXNPJQJGPHCB-GDAAHCPNSA-N 2 0 342.487 1.710 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C(=O)NCC23CCOCC3)cc1 ZINC000895772542 591270626 /nfs/dbraw/zinc/27/06/26/591270626.db2.gz HHQGXRPUWDQPBZ-KRWDZBQOSA-N 2 0 347.459 1.012 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895788397 591272857 /nfs/dbraw/zinc/27/28/57/591272857.db2.gz SSRHNRCQOZPNPF-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C2C[NH+](C3CCOCC3)C2)([NH+](C)C)C1 ZINC000895834981 591285063 /nfs/dbraw/zinc/28/50/63/591285063.db2.gz VADBOPKRSBLDHZ-KXBFYZLASA-N 2 0 337.508 1.724 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894465815 591319791 /nfs/dbraw/zinc/31/97/91/591319791.db2.gz QLUFOCTTYSBFRZ-CVEARBPZSA-N 2 0 329.460 1.189 20 0 EDADRP C[NH+]1CCC(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000896282290 591408398 /nfs/dbraw/zinc/40/83/98/591408398.db2.gz JYMDJOJWXBBCBL-UHFFFAOYSA-N 2 0 331.526 1.558 20 0 EDADRP CN1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@H+](C)CC1 ZINC000895049918 591545134 /nfs/dbraw/zinc/54/51/34/591545134.db2.gz GXTUXCQVDJOJBI-UHFFFAOYSA-N 2 0 339.528 1.141 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000898992039 591623872 /nfs/dbraw/zinc/62/38/72/591623872.db2.gz SQEIBTBOVSWDDD-XHSDSOJGSA-N 2 0 328.501 1.059 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000897099841 591739296 /nfs/dbraw/zinc/73/92/96/591739296.db2.gz UGZJEIMZCQVSOO-KSZLIROESA-N 2 0 331.460 1.080 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)[C@@]34CC[N@H+](C3)CCC4)nc2)C1 ZINC000897103758 591740975 /nfs/dbraw/zinc/74/09/75/591740975.db2.gz LDJSBFKMCMDTAW-APWZRJJASA-N 2 0 343.475 1.646 20 0 EDADRP COC(=O)c1cnc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000895417688 591750429 /nfs/dbraw/zinc/75/04/29/591750429.db2.gz FHLMLMLCZZIUBI-CHWSQXEVSA-N 2 0 340.493 1.101 20 0 EDADRP CC(C)(C)OC(=O)NCCC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897228303 591779017 /nfs/dbraw/zinc/77/90/17/591779017.db2.gz LCTGOYWCYBVUFR-OAHLLOKOSA-N 2 0 327.469 1.744 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000900087615 591895682 /nfs/dbraw/zinc/89/56/82/591895682.db2.gz PFUFGPWKGWNOAG-UHFFFAOYSA-N 2 0 346.519 1.781 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000900197559 591937522 /nfs/dbraw/zinc/93/75/22/591937522.db2.gz JBXRRWKOXQEWEF-QGZVFWFLSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900214854 591945157 /nfs/dbraw/zinc/94/51/57/591945157.db2.gz IJXBRBANLTXLOD-ZIFCJYIRSA-N 2 0 339.524 1.708 20 0 EDADRP COc1cn(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)c(C)cc1=O ZINC000902370568 591981023 /nfs/dbraw/zinc/98/10/23/591981023.db2.gz LHHMLPYHVSPJTN-HNNXBMFYSA-N 2 0 328.416 1.729 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)c2ccnn2CC[NH+](C)C)([NH+](C)C)C1 ZINC000900320313 591990112 /nfs/dbraw/zinc/99/01/12/591990112.db2.gz DRNAOYSORFHICC-YJBOKZPZSA-N 2 0 335.496 1.685 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000902395544 591990393 /nfs/dbraw/zinc/99/03/93/591990393.db2.gz GUGUKGQRTXTROG-KBPBESRZSA-N 2 0 329.452 1.071 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000902501063 592003180 /nfs/dbraw/zinc/00/31/80/592003180.db2.gz HRRRFWVWSPJZOH-FRYIKTPZSA-N 2 0 343.471 1.599 20 0 EDADRP C[N@H+](CCON=C(N)[C@H]1C[NH+]2CCC[C@H]2CO1)Cc1ccccc1 ZINC000902806391 592063021 /nfs/dbraw/zinc/06/30/21/592063021.db2.gz RZFIOOQTGAEKMR-DLBZAZTESA-N 2 0 332.448 1.480 20 0 EDADRP c1ccc(N2CCN(CCC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903061099 592111690 /nfs/dbraw/zinc/11/16/90/592111690.db2.gz AGZSDGFXJYGOIJ-UXHICEINSA-N 2 0 345.487 1.736 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc[nH+]1 ZINC000903088513 592118027 /nfs/dbraw/zinc/11/80/27/592118027.db2.gz ZMDYVDJEMFVGDD-RBUKOAKNSA-N 2 0 346.475 1.131 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900770128 592119115 /nfs/dbraw/zinc/11/91/15/592119115.db2.gz RPIXBCOGJWBZLJ-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903131869 592124006 /nfs/dbraw/zinc/12/40/06/592124006.db2.gz XGZXWYNEVBCKJO-FZKCQIBNSA-N 2 0 333.480 1.838 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000900887397 592157279 /nfs/dbraw/zinc/15/72/79/592157279.db2.gz UBPWEUZMWIRVKQ-CVEARBPZSA-N 2 0 339.480 1.204 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903459084 592171179 /nfs/dbraw/zinc/17/11/79/592171179.db2.gz ARPHKKFLYZETQS-HZPDHXFCSA-N 2 0 331.416 1.159 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484685 592177765 /nfs/dbraw/zinc/17/77/65/592177765.db2.gz VEBUJZNEBGMYTD-ZWKOTPCHSA-N 2 0 344.503 1.670 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496939 592188257 /nfs/dbraw/zinc/18/82/57/592188257.db2.gz KTJUXNNPYVDJKE-QBPKDAKJSA-N 2 0 325.497 1.615 20 0 EDADRP NC(=O)[C@@H](c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508494 592189467 /nfs/dbraw/zinc/18/94/67/592189467.db2.gz IUMSEGVHGVEDGF-FGTMMUONSA-N 2 0 346.450 1.253 20 0 EDADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000900982977 592189628 /nfs/dbraw/zinc/18/96/28/592189628.db2.gz GWVWTCGGSWZHJK-JKSUJKDBSA-N 2 0 333.480 1.534 20 0 EDADRP CN(C(=O)C[C@@]1(O)CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901074272 592224004 /nfs/dbraw/zinc/22/40/04/592224004.db2.gz FHOXEXDMJUAWFD-QUCCMNQESA-N 2 0 345.487 1.566 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906648663 592233524 /nfs/dbraw/zinc/23/35/24/592233524.db2.gz OFECVIDYIVDSHD-UHFFFAOYSA-N 2 0 334.464 1.712 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906652497 592235741 /nfs/dbraw/zinc/23/57/41/592235741.db2.gz ZEVFAABGSOBUJP-UHFFFAOYSA-N 2 0 334.464 1.667 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000904368990 592240212 /nfs/dbraw/zinc/24/02/12/592240212.db2.gz PFDZQNHZTCIGGF-YOEHRIQHSA-N 2 0 327.469 1.602 20 0 EDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(C(=O)NC3CC3)cc1)CC2 ZINC000904389947 592243157 /nfs/dbraw/zinc/24/31/57/592243157.db2.gz ZDNCJPFJVHEZHQ-GOSISDBHSA-N 2 0 343.471 1.909 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906666457 592247872 /nfs/dbraw/zinc/24/78/72/592247872.db2.gz PNQJHCKDUHTQMP-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416933 592252790 /nfs/dbraw/zinc/25/27/90/592252790.db2.gz UJESUHNUMOWFKH-FUHWJXTLSA-N 3 0 346.523 1.804 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417003 592252934 /nfs/dbraw/zinc/25/29/34/592252934.db2.gz WMFNUNPJUSZCGH-IRXDYDNUSA-N 3 0 336.524 1.285 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906681583 592262944 /nfs/dbraw/zinc/26/29/44/592262944.db2.gz YSPWRNJHOAEOCG-UHFFFAOYSA-N 2 0 346.475 1.763 20 0 EDADRP CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901189211 592270232 /nfs/dbraw/zinc/27/02/32/592270232.db2.gz XFKOWUPCVQZMIJ-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901161827 592272177 /nfs/dbraw/zinc/27/21/77/592272177.db2.gz ILNXYMMTGWUOJS-PNKHAZJDSA-N 2 0 335.492 1.713 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000904501416 592272545 /nfs/dbraw/zinc/27/25/45/592272545.db2.gz YVKMEBVGASPCQV-IRXDYDNUSA-N 2 0 348.447 1.087 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000904516338 592275764 /nfs/dbraw/zinc/27/57/64/592275764.db2.gz YGQAXIRDNWBGSC-SJORKVTESA-N 2 0 330.432 1.353 20 0 EDADRP O=C(c1ccccc1)N1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723050 592284188 /nfs/dbraw/zinc/28/41/88/592284188.db2.gz SPGVLPMZHIIACB-AZUAARDMSA-N 2 0 343.471 1.603 20 0 EDADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCCC1 ZINC000903728444 592285873 /nfs/dbraw/zinc/28/58/73/592285873.db2.gz BMHZNLHAVMMPSQ-IAGOWNOFSA-N 2 0 335.492 1.480 20 0 EDADRP CCN(CC)C(=O)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903727129 592286068 /nfs/dbraw/zinc/28/60/68/592286068.db2.gz QTVCYEAKXLPJKJ-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP CCOc1ccccc1N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732336 592288033 /nfs/dbraw/zinc/28/80/33/592288033.db2.gz DMEFUCHGDYBNHE-FXAWDEMLSA-N 2 0 345.487 1.976 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903713522 592291440 /nfs/dbraw/zinc/29/14/40/592291440.db2.gz ULTPLJBIGOLKIM-FRRDWIJNSA-N 2 0 337.386 1.273 20 0 EDADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000903737319 592300086 /nfs/dbraw/zinc/30/00/86/592300086.db2.gz RAXNXMMEAWWHQE-QAPCUYQASA-N 2 0 331.464 1.172 20 0 EDADRP COc1ccccc1CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903737611 592300142 /nfs/dbraw/zinc/30/01/42/592300142.db2.gz TUNHHQURLNOZGR-UYAOXDASSA-N 2 0 345.487 1.581 20 0 EDADRP CN1CCN(C(=O)CC2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)CC1 ZINC000903740839 592302630 /nfs/dbraw/zinc/30/26/30/592302630.db2.gz ZSUYDPYAJZPDQW-SFHVURJKSA-N 2 0 336.524 1.252 20 0 EDADRP CCn1ccnc1CN1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740710 592302865 /nfs/dbraw/zinc/30/28/65/592302865.db2.gz JZWCQWVQRJSLOV-QGZVFWFLSA-N 2 0 347.507 1.179 20 0 EDADRP Cc1cn(C)nc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903770228 592311024 /nfs/dbraw/zinc/31/10/24/592311024.db2.gz UHFZHEALRVVTMZ-HNNXBMFYSA-N 2 0 343.479 1.241 20 0 EDADRP NS(=O)(=O)c1ccc(C2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000903823507 592334192 /nfs/dbraw/zinc/33/41/92/592334192.db2.gz HCGAMRSKJDNKRM-CQSZACIVSA-N 2 0 337.489 1.513 20 0 EDADRP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893648 592366599 /nfs/dbraw/zinc/36/65/99/592366599.db2.gz XYAQWJDCLCYAQJ-GOEBONIOSA-N 2 0 329.448 1.971 20 0 EDADRP CC(=O)N(C[C@H]1CCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915451 592370588 /nfs/dbraw/zinc/37/05/88/592370588.db2.gz YSDFXFYRMRJLSP-VQIMIIECSA-N 2 0 347.507 1.321 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CNC[C@H]2[NH2+]CCc3ccccc32)cnn1C ZINC000903920744 592376905 /nfs/dbraw/zinc/37/69/05/592376905.db2.gz WXFXPSASHSNEOY-HNAYVOBHSA-N 2 0 327.476 1.323 20 0 EDADRP COc1ccc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1OC ZINC000903925555 592379582 /nfs/dbraw/zinc/37/95/82/592379582.db2.gz NVOKEPKVGQZPBW-OAHLLOKOSA-N 2 0 345.447 1.552 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2cn3ccccc3n2)cnn1C ZINC000903925304 592379995 /nfs/dbraw/zinc/37/99/95/592379995.db2.gz DOKXIAUOUBOQID-HNNXBMFYSA-N 2 0 326.448 1.326 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203444 592381051 /nfs/dbraw/zinc/38/10/51/592381051.db2.gz DBHGQNDSULAVHK-WMZOPIPTSA-N 2 0 337.439 1.391 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](Cc2cnn(C)c2)CC(C)C)cnn1C ZINC000903929945 592382678 /nfs/dbraw/zinc/38/26/78/592382678.db2.gz ORJJHDLWNQCNJI-MRXNPFEDSA-N 2 0 332.496 1.738 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cnn1C ZINC000903930090 592382951 /nfs/dbraw/zinc/38/29/51/592382951.db2.gz SBJXXCWJDAWNOE-ATZDWAIDSA-N 3 0 349.523 1.064 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC000908239419 592400039 /nfs/dbraw/zinc/40/00/39/592400039.db2.gz VEMMQOGWBDDFHF-UHFFFAOYSA-N 2 0 332.448 1.124 20 0 EDADRP Fc1cccn2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)nc12 ZINC000903980309 592400093 /nfs/dbraw/zinc/40/00/93/592400093.db2.gz OOQYBRNRCBHPLZ-CALCHBBNSA-N 2 0 343.450 1.874 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC3(O)C4CC5CC(C4)CC3C5)C2)CC1 ZINC000905110898 592411786 /nfs/dbraw/zinc/41/17/86/592411786.db2.gz SIXNXOACUWLOBS-PRYZXDJCSA-N 2 0 347.547 1.932 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000904088296 592424125 /nfs/dbraw/zinc/42/41/25/592424125.db2.gz SQHGAHAQFAXQHQ-PMPSAXMXSA-N 2 0 328.416 2.000 20 0 EDADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908330549 592447275 /nfs/dbraw/zinc/44/72/75/592447275.db2.gz RULHAUQVWSUZEK-UHFFFAOYSA-N 2 0 333.480 1.536 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1(C)C ZINC000905245399 592475495 /nfs/dbraw/zinc/47/54/95/592475495.db2.gz DAGYVOOCUCGONP-MOPGFXCFSA-N 2 0 349.519 1.477 20 0 EDADRP CCC1([NH+]2CCC2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905360730 592506720 /nfs/dbraw/zinc/50/67/20/592506720.db2.gz AQEXBRRZBGPXMN-UHFFFAOYSA-N 2 0 329.510 1.266 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)[C@@H]1C(C)C ZINC000905502554 592545958 /nfs/dbraw/zinc/54/59/58/592545958.db2.gz KQMJBDIDJZEYMI-DZVNLGKHSA-N 2 0 340.508 1.112 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000908605870 592551489 /nfs/dbraw/zinc/55/14/89/592551489.db2.gz ASFNEKYUNQTDME-UHFFFAOYSA-N 2 0 347.503 1.756 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)C2 ZINC000905496380 592553458 /nfs/dbraw/zinc/55/34/58/592553458.db2.gz SCZFICBYKOLDTC-OBVSXPTNSA-N 2 0 340.508 1.112 20 0 EDADRP CCC1([NH3+])CCN(c2cc(N3CCC([NH3+])(CC)CC3)ncn2)CC1 ZINC000905670678 592606913 /nfs/dbraw/zinc/60/69/13/592606913.db2.gz LMXFRXLBIBUQJA-UHFFFAOYSA-N 2 0 332.496 1.892 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)C3(O)CCCC3)CC2)CC1 ZINC000905947119 592696558 /nfs/dbraw/zinc/69/65/58/592696558.db2.gz UJVUNFPRUOYUKY-SFHVURJKSA-N 2 0 339.524 1.143 20 0 EDADRP CCOc1cc(C[NH2+]C2CC([NH3+])C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000906510784 592837273 /nfs/dbraw/zinc/83/72/73/592837273.db2.gz XAKWTQLWKLHFAE-LRVUVFPRSA-N 2 0 335.448 1.520 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C[NH+]1CCCCC1 ZINC000906644430 592865409 /nfs/dbraw/zinc/86/54/09/592865409.db2.gz APSULSGMVIYPGP-AWEZNQCLSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000906644444 592865522 /nfs/dbraw/zinc/86/55/22/592865522.db2.gz ATUULVGNOGYDSB-CQSZACIVSA-N 2 0 346.475 1.810 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1([NH3+])C[C@H]1c1ccccc1 ZINC000911663536 592973064 /nfs/dbraw/zinc/97/30/64/592973064.db2.gz DVQNQTNXFUDCFW-FCEWJHQRSA-N 2 0 325.412 1.696 20 0 EDADRP CN(C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000911692780 592983175 /nfs/dbraw/zinc/98/31/75/592983175.db2.gz WYNPDFMYCMWNNP-RMKNXTFCSA-N 2 0 331.460 1.851 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23C[NH2+]C[C@H]2COCC3)cc1 ZINC000911765970 593000494 /nfs/dbraw/zinc/00/04/94/593000494.db2.gz XUIBKGARBOCTKR-YQVWRLOYSA-N 2 0 331.460 1.552 20 0 EDADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000911761843 593006519 /nfs/dbraw/zinc/00/65/19/593006519.db2.gz SRGWYBRGBBYSPC-LJQANCHMSA-N 2 0 341.411 1.772 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)[NH+]1CCN(C)CC1 ZINC000911891820 593031698 /nfs/dbraw/zinc/03/16/98/593031698.db2.gz NOFKRADUCSGTPI-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000911928550 593034804 /nfs/dbraw/zinc/03/48/04/593034804.db2.gz CAGRYNJCXIGFMW-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP COC(=O)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000912303171 593083692 /nfs/dbraw/zinc/08/36/92/593083692.db2.gz IQXLMPPEBKEHLN-HRCADAONSA-N 2 0 341.496 1.354 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000912508067 593101266 /nfs/dbraw/zinc/10/12/66/593101266.db2.gz RQMVITVDYPNVIW-OAHLLOKOSA-N 2 0 333.480 1.582 20 0 EDADRP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000838853117 593225628 /nfs/dbraw/zinc/22/56/28/593225628.db2.gz IVLBDEUHCUAWMO-SJORKVTESA-N 2 0 339.524 1.924 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838901813 593237330 /nfs/dbraw/zinc/23/73/30/593237330.db2.gz VIRNKGWMESRWFF-SFHVURJKSA-N 2 0 337.508 1.462 20 0 EDADRP CCOC(=O)CC(C)(C)C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000839094688 593260925 /nfs/dbraw/zinc/26/09/25/593260925.db2.gz BFMLFCRTJKXBNF-UHFFFAOYSA-N 2 0 339.524 1.925 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809604380 593349586 /nfs/dbraw/zinc/34/95/86/593349586.db2.gz JICGMDYFJKCXGQ-UHFFFAOYSA-N 2 0 340.493 1.304 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000810356430 593394914 /nfs/dbraw/zinc/39/49/14/593394914.db2.gz KWVSCQSEYCOTFE-YOEHRIQHSA-N 2 0 329.460 1.426 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)[C@@]4(CCCO4)[C@@H]3C3CC3)C2)CC1 ZINC000840037491 593402310 /nfs/dbraw/zinc/40/23/10/593402310.db2.gz QIGFYTPZEAYNLC-WSTZPKSXSA-N 2 0 347.503 1.778 20 0 EDADRP CC[C@@H](C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1)[NH+](CC)CC ZINC000810764498 593428223 /nfs/dbraw/zinc/42/82/23/593428223.db2.gz JXQGHHMTMMLIJV-KBPBESRZSA-N 2 0 335.452 1.691 20 0 EDADRP [NH3+][C@@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859061 593641817 /nfs/dbraw/zinc/64/18/17/593641817.db2.gz OQWKVESHNNOKMS-HZPDHXFCSA-N 2 0 331.416 1.661 20 0 EDADRP [NH3+][C@H](C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)C1CCC1 ZINC000817858934 593641876 /nfs/dbraw/zinc/64/18/76/593641876.db2.gz GERVRWWDONZEFH-INIZCTEOSA-N 2 0 331.416 1.661 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000817892044 593645763 /nfs/dbraw/zinc/64/57/63/593645763.db2.gz JDJGSWLZBLFICJ-WBVHZDCISA-N 2 0 334.460 1.939 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CSCCS2)CC[NH2+]CC1 ZINC000817900784 593647100 /nfs/dbraw/zinc/64/71/00/593647100.db2.gz WFVZIWYHDPAMFG-STQMWFEESA-N 2 0 332.535 1.746 20 0 EDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@H]1COCC12OCCO2 ZINC000817935896 593650296 /nfs/dbraw/zinc/65/02/96/593650296.db2.gz OUJITZLZJHREAO-QBPKDAKJSA-N 2 0 338.492 1.912 20 0 EDADRP [NH3+]C1(CNC(=O)c2cccc(F)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000818231762 593685839 /nfs/dbraw/zinc/68/58/39/593685839.db2.gz ZNVIYCXYJYLYHR-UHFFFAOYSA-N 2 0 342.418 1.944 20 0 EDADRP C[NH+]1CCC(CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000818989840 593732740 /nfs/dbraw/zinc/73/27/40/593732740.db2.gz QEPBQDWGGFGYBX-UHFFFAOYSA-N 2 0 348.509 1.064 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819059125 593736473 /nfs/dbraw/zinc/73/64/73/593736473.db2.gz VMDMEQSFQLTGDC-KBXCAEBGSA-N 2 0 341.446 1.861 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135202 593740680 /nfs/dbraw/zinc/74/06/80/593740680.db2.gz VBOXWPUFZANJKZ-ZNMIVQPWSA-N 2 0 329.485 1.725 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000819135435 593740857 /nfs/dbraw/zinc/74/08/57/593740857.db2.gz WVGXSRSJLZKCHW-QGZVFWFLSA-N 2 0 325.884 1.989 20 0 EDADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COC1CCOCC1 ZINC000819138357 593740956 /nfs/dbraw/zinc/74/09/56/593740956.db2.gz QFQBLILVSXCDST-DAWZGUTISA-N 2 0 340.508 1.930 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)ccc1=O ZINC000821318468 594014856 /nfs/dbraw/zinc/01/48/56/594014856.db2.gz ADGORZXLBWAXOA-INIZCTEOSA-N 2 0 332.448 1.365 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578806 594041644 /nfs/dbraw/zinc/04/16/44/594041644.db2.gz WRBVFMRAHQFAJU-LLVKDONJSA-N 2 0 334.399 1.113 20 0 EDADRP [NH3+]CCCCCCC(=O)N1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000825627261 594208584 /nfs/dbraw/zinc/20/85/84/594208584.db2.gz IGODDJWTLVFXIC-HZPDHXFCSA-N 2 0 338.496 1.002 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]23CCO[C@@H]2CCCC3)C[C@H]1C[NH+](C)C ZINC000827892698 594298864 /nfs/dbraw/zinc/29/88/64/594298864.db2.gz QOZNYNSAEZINAJ-YWTNHNAXSA-N 2 0 337.508 1.534 20 0 EDADRP COc1cc(-c2nn[nH]n2)ccc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000826168827 594360123 /nfs/dbraw/zinc/36/01/23/594360123.db2.gz ZOHHPUKSYUSEBE-UHFFFAOYSA-N 2 0 330.436 1.649 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000828314522 594389480 /nfs/dbraw/zinc/38/94/80/594389480.db2.gz JLXVDPIFTUHLDP-SFHVURJKSA-N 2 0 345.487 1.796 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](CCCNC(=O)OC(C)(C)C)CCO2 ZINC000830652407 594447967 /nfs/dbraw/zinc/44/79/67/594447967.db2.gz OHAGMJGJWGFAQN-UHFFFAOYSA-N 2 0 327.469 1.698 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000831217529 594583974 /nfs/dbraw/zinc/58/39/74/594583974.db2.gz ABXWKNWFUVLPOW-TXPKVOOTSA-N 2 0 348.491 1.391 20 0 EDADRP C[C@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000831267933 594595810 /nfs/dbraw/zinc/59/58/10/594595810.db2.gz SANYYYZRAGNHAQ-IRXDYDNUSA-N 2 0 339.528 1.173 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570967 594684078 /nfs/dbraw/zinc/68/40/78/594684078.db2.gz JOBLFHFMCDHNPO-HZSPNIEDSA-N 2 0 333.398 1.813 20 0 EDADRP Cc1nccn1-c1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000831817985 594705131 /nfs/dbraw/zinc/70/51/31/594705131.db2.gz HLZYSLKGHHLTCR-GFCCVEGCSA-N 2 0 337.387 1.628 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000841068232 594846966 /nfs/dbraw/zinc/84/69/66/594846966.db2.gz LLCZOLVTBVBISR-KBPBESRZSA-N 2 0 348.434 1.959 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000841110082 594852068 /nfs/dbraw/zinc/85/20/68/594852068.db2.gz DHCFWRGZWSDAAO-PBHICJAKSA-N 2 0 332.448 1.843 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841304742 594883012 /nfs/dbraw/zinc/88/30/12/594883012.db2.gz DSMKDHDGDZTCOX-GJZGRUSLSA-N 2 0 330.432 1.317 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841783064 594951707 /nfs/dbraw/zinc/95/17/07/594951707.db2.gz KXMAXGOSOUQWPW-UHFFFAOYSA-N 2 0 348.491 1.488 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841846926 594964188 /nfs/dbraw/zinc/96/41/88/594964188.db2.gz DFPSWJRDAGKOOW-IAGOWNOFSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847787 594964876 /nfs/dbraw/zinc/96/48/76/594964876.db2.gz UXIQTEFUBVLINF-LRDDRELGSA-N 2 0 331.416 1.532 20 0 EDADRP [NH3+]Cc1cc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc(C(F)(F)F)c1 ZINC000841850336 594965215 /nfs/dbraw/zinc/96/52/15/594965215.db2.gz MRPABOMOLDSALU-CYBMUJFWSA-N 2 0 331.338 1.871 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCCO1 ZINC000841850059 594965224 /nfs/dbraw/zinc/96/52/24/594965224.db2.gz WFSBWBKDFHGOKR-QGZVFWFLSA-N 2 0 340.512 1.792 20 0 EDADRP CN1CCN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000841856646 594966440 /nfs/dbraw/zinc/96/64/40/594966440.db2.gz YXKVZPUSYFQCBP-JCYILVPMSA-N 2 0 337.512 1.068 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000841876627 594971913 /nfs/dbraw/zinc/97/19/13/594971913.db2.gz VIXIHICVFISPIX-DZOHQFGASA-N 2 0 330.476 1.934 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCCCCC[NH+](C)C ZINC000842177757 595029425 /nfs/dbraw/zinc/02/94/25/595029425.db2.gz JDQDQSNMZGBDHI-IRXDYDNUSA-N 2 0 342.528 1.595 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000843343459 595080508 /nfs/dbraw/zinc/08/05/08/595080508.db2.gz UROHCPXSXQPVOJ-OAHLLOKOSA-N 2 0 340.431 1.082 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1)N1CC[NH2+]CC1 ZINC000843346512 595081476 /nfs/dbraw/zinc/08/14/76/595081476.db2.gz IYWISQNMJYETCX-OLZOCXBDSA-N 2 0 334.291 1.714 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000843083486 595282855 /nfs/dbraw/zinc/28/28/55/595282855.db2.gz XZFVWUGNKSFFQD-RBUKOAKNSA-N 2 0 349.519 1.215 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170938 595290427 /nfs/dbraw/zinc/29/04/27/595290427.db2.gz UYKQUDKIUZJRIF-BBWFWOEESA-N 2 0 325.497 1.629 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000844178445 595293712 /nfs/dbraw/zinc/29/37/12/595293712.db2.gz VJLJNPHKNRUKIE-OALUTQOASA-N 2 0 345.487 1.436 20 0 EDADRP C[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000844189704 595297379 /nfs/dbraw/zinc/29/73/79/595297379.db2.gz SJSBFGXHKYFBON-PKOBYXMFSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178740 595372092 /nfs/dbraw/zinc/37/20/92/595372092.db2.gz SQZRJTBLUMCQML-ZXFNITATSA-N 2 0 343.487 1.813 20 0 EDADRP COCCCN(C)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844686082 595372550 /nfs/dbraw/zinc/37/25/50/595372550.db2.gz IBGRNLJWEFMFBY-OALUTQOASA-N 2 0 345.487 1.893 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000847409293 595413720 /nfs/dbraw/zinc/41/37/20/595413720.db2.gz SCIUECLBYCIGDB-QZTJIDSGSA-N 2 0 331.460 1.384 20 0 EDADRP Cc1ccc(CNC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849072946 595478295 /nfs/dbraw/zinc/47/82/95/595478295.db2.gz SZESRQMNJCRWEF-MRXNPFEDSA-N 2 0 331.464 1.196 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000849081388 595479354 /nfs/dbraw/zinc/47/93/54/595479354.db2.gz WIEIRLPDIDVTGM-CQSZACIVSA-N 2 0 335.452 1.157 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCC2(N3CCCCC3)CC[NH+](C)CC2)CCO1 ZINC000849094675 595480734 /nfs/dbraw/zinc/48/07/34/595480734.db2.gz OTELWRHKYGQZGC-INIZCTEOSA-N 2 0 337.512 1.182 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCOCC(F)(F)C(F)F ZINC000849105518 595482666 /nfs/dbraw/zinc/48/26/66/595482666.db2.gz RPYVENJDIBPRSN-SNVBAGLBSA-N 2 0 328.354 1.502 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@]1(C)C[C@@]1(F)Cl ZINC000845411637 595493975 /nfs/dbraw/zinc/49/39/75/595493975.db2.gz RSHGEMKCNUNNLU-CABCVRRESA-N 2 0 336.883 1.826 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753446 595526556 /nfs/dbraw/zinc/52/65/56/595526556.db2.gz BEDGVIPMLKRUIC-FUHWJXTLSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(CCCNC(=O)OC(C)(C)C)CCO1 ZINC000852762405 595532682 /nfs/dbraw/zinc/53/26/82/595532682.db2.gz MPHKBOZYCZRBDL-OAHLLOKOSA-N 2 0 329.485 1.944 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000852783460 595540463 /nfs/dbraw/zinc/54/04/63/595540463.db2.gz ZYHWQEAJHJHHTM-CRAIPNDOSA-N 2 0 333.476 1.271 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cn1 ZINC000849500248 595551385 /nfs/dbraw/zinc/55/13/85/595551385.db2.gz OXIVCWNXCJHPRN-WNRNVDISSA-N 2 0 345.491 1.198 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540941 595559236 /nfs/dbraw/zinc/55/92/36/595559236.db2.gz JWECRIAHAARKOT-FGTMMUONSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567937 595572559 /nfs/dbraw/zinc/57/25/59/595572559.db2.gz KVEMXNDHPPPFCJ-YALNPMBYSA-N 2 0 333.480 1.006 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849582004 595581238 /nfs/dbraw/zinc/58/12/38/595581238.db2.gz KOIMCJVTTYGMQX-IAGOWNOFSA-N 2 0 335.496 1.256 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583480 595581955 /nfs/dbraw/zinc/58/19/55/595581955.db2.gz UFZRTUSNAHHILA-JKSUJKDBSA-N 2 0 333.480 1.056 20 0 EDADRP [NH3+][C@@H](CC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)C1CC1 ZINC000852862641 595582812 /nfs/dbraw/zinc/58/28/12/595582812.db2.gz IBGNSUXLFANQNN-SFHVURJKSA-N 2 0 342.487 1.585 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870285 595589168 /nfs/dbraw/zinc/58/91/68/595589168.db2.gz CHEMJOOAERZLFE-FMKPAKJESA-N 2 0 344.459 1.363 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[C@H]1c1cccs1 ZINC000852870626 595589987 /nfs/dbraw/zinc/58/99/87/595589987.db2.gz OLTPKRYZZVXOIJ-XUJVJEKNSA-N 2 0 336.461 1.351 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000852902091 595606849 /nfs/dbraw/zinc/60/68/49/595606849.db2.gz AIEBVPQCWHIRQB-GOSISDBHSA-N 2 0 329.444 1.179 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)[NH2+]C2CC2)cc1F ZINC000852906644 595608995 /nfs/dbraw/zinc/60/89/95/595608995.db2.gz MRTZZEMYYUCQMX-WPGHFRTFSA-N 2 0 335.423 1.537 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccn2)(N2CCCCC2)CC1 ZINC000853100914 595664963 /nfs/dbraw/zinc/66/49/63/595664963.db2.gz PQXAKLXXGZQKJF-SFHVURJKSA-N 2 0 332.492 1.655 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000853638689 595842972 /nfs/dbraw/zinc/84/29/72/595842972.db2.gz CDGCAYFHZJTJIQ-MRXNPFEDSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(CC[NH3+])cc2)CCO1 ZINC000851661169 595872955 /nfs/dbraw/zinc/87/29/55/595872955.db2.gz FWHLOXSSTAQGTK-GOSISDBHSA-N 2 0 348.491 1.440 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCC(=O)O2)CC1 ZINC000851778784 595920352 /nfs/dbraw/zinc/92/03/52/595920352.db2.gz IWBZOMGYVXAMDL-HNNXBMFYSA-N 2 0 339.480 1.108 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795516 595927107 /nfs/dbraw/zinc/92/71/07/595927107.db2.gz DGWBIOFJKHHVDN-VQIMIIECSA-N 2 0 331.460 1.023 20 0 EDADRP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354040 595958826 /nfs/dbraw/zinc/95/88/26/595958826.db2.gz SAKUDRHQAJVNOY-IAOVAPTHSA-N 2 0 330.444 1.851 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@@](O)(C(N)=O)c3ccccc3)C2)CC1 ZINC000852006800 596005140 /nfs/dbraw/zinc/00/51/40/596005140.db2.gz DOAZGOYCJBVQSB-IBGZPJMESA-N 2 0 331.460 1.167 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)CC2(O)CCS(=O)(=O)CC2)cc1 ZINC000859213996 596007030 /nfs/dbraw/zinc/00/70/30/596007030.db2.gz FCZLHCIEAXGNSO-UHFFFAOYSA-N 2 0 340.489 1.120 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3ccnc3)C2)ccn1 ZINC000856585416 596022364 /nfs/dbraw/zinc/02/23/64/596022364.db2.gz DROIWYGLEYQFRK-GOSISDBHSA-N 2 0 329.448 1.883 20 0 EDADRP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)Cc1cn3cc(F)ccc3n1)C2 ZINC000868634377 596255259 /nfs/dbraw/zinc/25/52/59/596255259.db2.gz VCURPKZRLFVDLQ-SFHVURJKSA-N 2 0 330.407 1.960 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000866668103 596286160 /nfs/dbraw/zinc/28/61/60/596286160.db2.gz JMYPNYQOXZSKQQ-SFHVURJKSA-N 2 0 331.460 1.419 20 0 EDADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709565 596302604 /nfs/dbraw/zinc/30/26/04/596302604.db2.gz SAWNVXMQXLSGKW-KSSFIOAISA-N 2 0 339.480 1.237 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710968 596304184 /nfs/dbraw/zinc/30/41/84/596304184.db2.gz YLVLQPGCEJFKNN-HHARLNAUSA-N 2 0 337.464 1.449 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870859210 596380111 /nfs/dbraw/zinc/38/01/11/596380111.db2.gz UURRYBWNTDJMFC-VCBZYWHSSA-N 2 0 328.460 1.894 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000870924201 596407284 /nfs/dbraw/zinc/40/72/84/596407284.db2.gz VDDSVIAEWCFTFC-LBVWLFBPSA-N 2 0 348.535 1.536 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000870939641 596412885 /nfs/dbraw/zinc/41/28/85/596412885.db2.gz AITQLXZSBBCYSI-CHWSQXEVSA-N 2 0 326.238 1.707 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc2F)CC1 ZINC000871011958 596438109 /nfs/dbraw/zinc/43/81/09/596438109.db2.gz AIGJJEHYVZIZPG-CYBMUJFWSA-N 2 0 344.381 1.889 20 0 EDADRP CC(=O)NCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000865494552 596590887 /nfs/dbraw/zinc/59/08/87/596590887.db2.gz CYKRRBJFNLQERZ-LRMJVLKBSA-N 2 0 337.508 1.649 20 0 EDADRP CC(=O)NCC1CCC([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000865513861 596595848 /nfs/dbraw/zinc/59/58/48/596595848.db2.gz LEGQOTAIIGAUKI-UHFFFAOYSA-N 2 0 348.491 1.807 20 0 EDADRP Cc1cccc2nc(CC[NH2+]Cc3cn(C[C@@H]4CCCO4)nn3)cn21 ZINC000865614698 596627347 /nfs/dbraw/zinc/62/73/47/596627347.db2.gz OREUVVQTWWPKQJ-KRWDZBQOSA-N 2 0 340.431 1.746 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000867968919 596638333 /nfs/dbraw/zinc/63/83/33/596638333.db2.gz HVAMZRZFRNNIKL-XHVZSJERSA-N 2 0 326.238 1.645 20 0 EDADRP C[C@@H](C(=O)OC(C)(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017031 596708976 /nfs/dbraw/zinc/70/89/76/596708976.db2.gz GBAZMTFDAVAWQD-RBSFLKMASA-N 2 0 341.496 1.162 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(F)(F)F)n[nH]2)C[C@H]1C[NH+](C)C ZINC000870018452 596710199 /nfs/dbraw/zinc/71/01/99/596710199.db2.gz ABMQVKNYRGAMBK-GHMZBOCLSA-N 2 0 347.385 1.240 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2noc3c2CCCCC3)C[C@H]1C[NH+](C)C ZINC000870019885 596711283 /nfs/dbraw/zinc/71/12/83/596711283.db2.gz UWZCURHPWAGBBL-HUUCEWRRSA-N 2 0 348.491 1.755 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(F)(F)C2(O)CCCC2)C[C@H]1C[NH+](C)C ZINC000870019918 596711290 /nfs/dbraw/zinc/71/12/90/596711290.db2.gz VSTYAWQBIAOGDV-ZIAGYGMSSA-N 2 0 347.450 1.125 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/c2ccc(O)cc2)C[C@H]1C[NH+](C)C ZINC000870021167 596711892 /nfs/dbraw/zinc/71/18/92/596711892.db2.gz BKWWMQZOEBHJEI-JSMQFAGNSA-N 2 0 331.460 1.603 20 0 EDADRP CCS[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000870021186 596712150 /nfs/dbraw/zinc/71/21/50/596712150.db2.gz BZCBVDUSDSCBFX-OAGGEKHMSA-N 2 0 329.554 1.962 20 0 EDADRP Cc1ccc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000870023825 596713741 /nfs/dbraw/zinc/71/37/41/596713741.db2.gz BITDVDQKQIMCAW-QZTJIDSGSA-N 2 0 347.503 1.880 20 0 EDADRP Cc1noc(C)c1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023865 596713766 /nfs/dbraw/zinc/71/37/66/596713766.db2.gz DFJIBJGYTJYYQN-HZPDHXFCSA-N 2 0 336.480 1.422 20 0 EDADRP CN(C)c1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024391 596713796 /nfs/dbraw/zinc/71/37/96/596713796.db2.gz AQBKZTVXDWEPJW-IAGOWNOFSA-N 2 0 332.492 1.564 20 0 EDADRP CC(=O)c1c(C)[nH]c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870024751 596714494 /nfs/dbraw/zinc/71/44/94/596714494.db2.gz INYNTOZIUTUFHJ-HZPDHXFCSA-N 2 0 348.491 1.646 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237256 596740122 /nfs/dbraw/zinc/74/01/22/596740122.db2.gz CILKGRKVWBAIPX-XOKHGSTOSA-N 2 0 344.459 1.240 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@](O)(C[NH+](C)C)C2)c1 ZINC000866055286 596773491 /nfs/dbraw/zinc/77/34/91/596773491.db2.gz TWHOXYPVUBHRJP-SFHVURJKSA-N 2 0 334.464 1.669 20 0 EDADRP CC1(C)CCc2onc(CN3CCC[C@@H](C(=O)NCC[NH3+])C3)c2C1 ZINC000872141679 596808326 /nfs/dbraw/zinc/80/83/26/596808326.db2.gz NSVOPGJBUGOWIJ-CYBMUJFWSA-N 2 0 334.464 1.476 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1C ZINC000872143977 596809390 /nfs/dbraw/zinc/80/93/90/596809390.db2.gz SXZVUXZKVJQLMS-INIZCTEOSA-N 2 0 347.459 1.601 20 0 EDADRP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158678 596817038 /nfs/dbraw/zinc/81/70/38/596817038.db2.gz WWKQPZLZRNWUAK-NVXWUHKLSA-N 2 0 325.497 1.759 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158703 596817177 /nfs/dbraw/zinc/81/71/77/596817177.db2.gz XENRFIYVLODVGT-RYRKJORJSA-N 2 0 337.508 1.853 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCC2(F)F)C[C@H]1C[NH+](C)C ZINC000875584524 596905749 /nfs/dbraw/zinc/90/57/49/596905749.db2.gz FLAXQAPKJCOJGP-MCIONIFRSA-N 2 0 332.439 1.555 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCOC[C@@H]1CC ZINC000875589573 596907299 /nfs/dbraw/zinc/90/72/99/596907299.db2.gz AOWOZVYIIHNDHD-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C1 ZINC000875709902 596955286 /nfs/dbraw/zinc/95/52/86/596955286.db2.gz MAHRNPLQOGHNJN-KBPBESRZSA-N 2 0 326.485 1.004 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CC[C@H]3C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000875769515 596979611 /nfs/dbraw/zinc/97/96/11/596979611.db2.gz RGVRPFIHIJQDPD-CWQOZTLDSA-N 2 0 336.524 1.803 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)C(C)(C)[C@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000872637030 597003138 /nfs/dbraw/zinc/00/31/38/597003138.db2.gz ZURGXHUCFZHKIZ-BRWVUGGUSA-N 2 0 336.524 1.262 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Cc1ccccc1 ZINC000874431971 597075670 /nfs/dbraw/zinc/07/56/70/597075670.db2.gz DYBJAYRSWUUUOZ-KSZLIROESA-N 2 0 330.476 1.695 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000876070992 597078564 /nfs/dbraw/zinc/07/85/64/597078564.db2.gz IFRUVZYJVGKEMR-UHFFFAOYSA-N 2 0 332.492 1.853 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2ncccc12 ZINC000876387693 597189617 /nfs/dbraw/zinc/18/96/17/597189617.db2.gz ZGFFWQYXKFFYBH-UHFFFAOYSA-N 2 0 343.475 1.870 20 0 EDADRP NC(=O)[C@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)Cc1ccc(F)cc1 ZINC000873211684 597229123 /nfs/dbraw/zinc/22/91/23/597229123.db2.gz RGVUXVQCNDLGBQ-AWEZNQCLSA-N 2 0 347.459 1.967 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+]Cc3ccc4c(c3)C[NH2+]CC4)c2)nn1 ZINC000873217693 597230724 /nfs/dbraw/zinc/23/07/24/597230724.db2.gz PFNYUKSEPMDVPE-UHFFFAOYSA-N 2 0 348.454 1.662 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCC34CCOCC4)c2)nn1 ZINC000873245113 597237905 /nfs/dbraw/zinc/23/79/05/597237905.db2.gz XDKRRQFIOMTEMY-QGZVFWFLSA-N 2 0 327.432 1.775 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000873263701 597242330 /nfs/dbraw/zinc/24/23/30/597242330.db2.gz YNUXFCYMTMQHHJ-GDBMZVCRSA-N 2 0 325.478 1.244 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000873310473 597253158 /nfs/dbraw/zinc/25/31/58/597253158.db2.gz LIYITESQDSOAIP-QAPCUYQASA-N 2 0 345.447 1.253 20 0 EDADRP Cc1ccc2nc(CNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)cn2c1 ZINC000875133148 597295836 /nfs/dbraw/zinc/29/58/36/597295836.db2.gz YIPWAIJYPNSKAY-GDBMZVCRSA-N 2 0 327.432 1.878 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000876723653 597307002 /nfs/dbraw/zinc/30/70/02/597307002.db2.gz WJCMWNXALORVFC-HOTGVXAUSA-N 2 0 333.480 1.720 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)/C=C\[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876742778 597317747 /nfs/dbraw/zinc/31/77/47/597317747.db2.gz TUFWKZPLOXQVTM-YIEVGGLXSA-N 2 0 334.508 1.217 20 0 EDADRP Cc1cc(NC(=O)/C=C\[C@H]2CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000876769367 597331805 /nfs/dbraw/zinc/33/18/05/597331805.db2.gz VKMBQWZHDJMBEC-IYKSTZQJSA-N 2 0 331.464 1.953 20 0 EDADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000876839859 597355194 /nfs/dbraw/zinc/35/51/94/597355194.db2.gz BEXUCHQCEIXYKZ-VHDGCEQUSA-N 2 0 325.815 1.761 20 0 EDADRP Clc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000876991381 597406649 /nfs/dbraw/zinc/40/66/49/597406649.db2.gz MVAMJUHVSNZGGG-UHFFFAOYSA-N 2 0 346.866 1.827 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC1([NH3+])CCOCC1 ZINC000877014859 597412357 /nfs/dbraw/zinc/41/23/57/597412357.db2.gz SPTWAPWWFZCJML-UHFFFAOYSA-N 2 0 338.477 1.156 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000877031075 597417348 /nfs/dbraw/zinc/41/73/48/597417348.db2.gz QNLKXUXZLDXPGF-SUYBPPKGSA-N 2 0 328.416 1.233 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000877120777 597437887 /nfs/dbraw/zinc/43/78/87/597437887.db2.gz VEAPTYRNAXMRJF-OAHLLOKOSA-N 2 0 339.443 1.307 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201148 597460406 /nfs/dbraw/zinc/46/04/06/597460406.db2.gz DPQPVMHJHRZWAT-IBGZPJMESA-N 2 0 346.519 1.684 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000877231753 597470506 /nfs/dbraw/zinc/47/05/06/597470506.db2.gz SJXDBVSOMHWNBI-IBGZPJMESA-N 2 0 345.487 1.702 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC[C@H]21 ZINC000877250979 597479990 /nfs/dbraw/zinc/47/99/90/597479990.db2.gz VJDNMMMDNRIUIF-SJLPKXTDSA-N 2 0 327.472 1.860 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000877266472 597483221 /nfs/dbraw/zinc/48/32/21/597483221.db2.gz FLOBIMLIPMIYLM-UHFFFAOYSA-N 2 0 333.480 1.495 20 0 EDADRP C[C@@]12CN(C(=O)[C@]3(F)CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877353438 597499081 /nfs/dbraw/zinc/49/90/81/597499081.db2.gz VAZNITCCGOUIJT-UHOSZYNNSA-N 2 0 331.435 1.669 20 0 EDADRP CCc1nn(C)c(Cl)c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669411 597546364 /nfs/dbraw/zinc/54/63/64/597546364.db2.gz IGHAXIICUYKYKW-ZIAGYGMSSA-N 2 0 341.931 1.807 20 0 EDADRP CONC(=O)C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000877786438 597556452 /nfs/dbraw/zinc/55/64/52/597556452.db2.gz HSZDVRNGHJRYHV-UHFFFAOYSA-N 2 0 335.448 1.517 20 0 EDADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C)CC1 ZINC000878015623 597569628 /nfs/dbraw/zinc/56/96/28/597569628.db2.gz APMSWZALLTYWJJ-GOSISDBHSA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)CC2(O)CCCC2)C1 ZINC000878158715 597582992 /nfs/dbraw/zinc/58/29/92/597582992.db2.gz LZKSZZDYSPOCRM-IAGOWNOFSA-N 2 0 328.497 1.475 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)CC1(O)CCCCC1)C1CC[NH+](C)CC1 ZINC000878311496 597594639 /nfs/dbraw/zinc/59/46/39/597594639.db2.gz NISPSUFAMLRNNI-GOSISDBHSA-N 2 0 341.540 1.390 20 0 EDADRP CC(C)(O)C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000878389799 597599236 /nfs/dbraw/zinc/59/92/36/597599236.db2.gz UZXABPPRCFDDGV-QGZVFWFLSA-N 2 0 328.497 1.333 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000883116729 597656289 /nfs/dbraw/zinc/65/62/89/597656289.db2.gz CLYWJMKSZFHSEK-GOSISDBHSA-N 2 0 330.476 1.828 20 0 EDADRP COC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000883188542 597681417 /nfs/dbraw/zinc/68/14/17/597681417.db2.gz LXMDXPGMWNWBOM-JZXOWHBKSA-N 2 0 325.497 1.186 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1C=CCC1 ZINC000883250686 597694315 /nfs/dbraw/zinc/69/43/15/597694315.db2.gz JNCJSUNDNGLOBR-QGZVFWFLSA-N 2 0 343.475 1.859 20 0 EDADRP O=C(NCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000878747992 597698731 /nfs/dbraw/zinc/69/87/31/597698731.db2.gz QOGBWGDPOSDCOR-UHFFFAOYSA-N 2 0 330.354 1.662 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000883359257 597724172 /nfs/dbraw/zinc/72/41/72/597724172.db2.gz BOZFCVULOSSAGS-JKSUJKDBSA-N 2 0 331.464 1.644 20 0 EDADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)O1 ZINC000883424302 597741889 /nfs/dbraw/zinc/74/18/89/597741889.db2.gz NMYOSBCETJATCR-ZACQAIPSSA-N 2 0 337.508 1.914 20 0 EDADRP Cc1nc(C)c(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000878890760 597747789 /nfs/dbraw/zinc/74/77/89/597747789.db2.gz OEQDTOGOKLWDFZ-ZIAGYGMSSA-N 2 0 339.509 1.963 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000883452747 597753595 /nfs/dbraw/zinc/75/35/95/597753595.db2.gz LXBRGMYCXCGEGE-KRWDZBQOSA-N 2 0 330.476 1.479 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3ccccc3)[C@H](CO)C2)CC1 ZINC000878938165 597761084 /nfs/dbraw/zinc/76/10/84/597761084.db2.gz KSVAMCLNWBKXHP-PKOBYXMFSA-N 2 0 345.487 1.295 20 0 EDADRP CN(c1ccccc1)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878990681 597777538 /nfs/dbraw/zinc/77/75/38/597777538.db2.gz NVQYNLPFFLEXOZ-GOSISDBHSA-N 2 0 330.476 1.408 20 0 EDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC000879978211 597795135 /nfs/dbraw/zinc/79/51/35/597795135.db2.gz VCOCSHMSYZQMAW-SQNIBIBYSA-N 2 0 339.524 1.850 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1 ZINC000880020397 597811248 /nfs/dbraw/zinc/81/12/48/597811248.db2.gz IUONRYHKHIMNLI-APWZRJJASA-N 2 0 344.459 1.286 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)CCc1cncn1C)C(=O)OC(C)(C)C ZINC000879080608 597813932 /nfs/dbraw/zinc/81/39/32/597813932.db2.gz MTVJOGJCZMIDJS-AWEZNQCLSA-N 2 0 326.441 1.122 20 0 EDADRP COCC[N@@H+](CC(=O)NCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879124334 597826375 /nfs/dbraw/zinc/82/63/75/597826375.db2.gz TYQOTHZGCYOFEA-UHFFFAOYSA-N 2 0 333.476 1.593 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000879221278 597855602 /nfs/dbraw/zinc/85/56/02/597855602.db2.gz KECMNKMERUIMNS-QLFBSQMISA-N 2 0 327.469 1.431 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+]([C@@H]1CCN(C3CCOCC3)C1=O)CC2 ZINC000879248120 597864396 /nfs/dbraw/zinc/86/43/96/597864396.db2.gz NABUGPYYFJAKFN-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883701198 597867379 /nfs/dbraw/zinc/86/73/79/597867379.db2.gz HGXYWTWNMLCHDX-DOTOQJQBSA-N 2 0 340.512 1.658 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000884179385 598016466 /nfs/dbraw/zinc/01/64/66/598016466.db2.gz MYIUZWJUUGYQNX-DLBZAZTESA-N 2 0 335.448 1.312 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884180325 598016894 /nfs/dbraw/zinc/01/68/94/598016894.db2.gz UMQDAGZPGDJFMF-UHFFFAOYSA-N 2 0 331.464 1.095 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000884185859 598018438 /nfs/dbraw/zinc/01/84/38/598018438.db2.gz JULPTLXQASQXKM-CRAIPNDOSA-N 2 0 333.476 1.899 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000884189519 598020645 /nfs/dbraw/zinc/02/06/45/598020645.db2.gz HQRYKYOYIANHDZ-INIZCTEOSA-N 2 0 325.497 1.567 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000884207729 598029674 /nfs/dbraw/zinc/02/96/74/598029674.db2.gz DHJVQDXPSRVAQE-UHFFFAOYSA-N 2 0 331.420 1.295 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000884239119 598039540 /nfs/dbraw/zinc/03/95/40/598039540.db2.gz NMTUFDSGOIYTQP-KRWDZBQOSA-N 2 0 331.460 1.889 20 0 EDADRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884267000 598048411 /nfs/dbraw/zinc/04/84/11/598048411.db2.gz PGVCVDORTHKRPY-LBPRGKRZSA-N 2 0 326.238 1.789 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Br)cc1 ZINC000884360243 598080508 /nfs/dbraw/zinc/08/05/08/598080508.db2.gz XJPMSQMOBABBRX-YWPYICTPSA-N 2 0 340.265 1.865 20 0 EDADRP C[C@H](CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[NH+](C)C ZINC000884401263 598093955 /nfs/dbraw/zinc/09/39/55/598093955.db2.gz JKSWZFLTDBLVTR-ZWNOBZJWSA-N 2 0 328.254 1.905 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884435091 598104087 /nfs/dbraw/zinc/10/40/87/598104087.db2.gz KFFXSOQIWUPIDD-ZDUSSCGKSA-N 2 0 344.253 1.143 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C(C)(C)C ZINC000884488192 598118699 /nfs/dbraw/zinc/11/86/99/598118699.db2.gz QBGXDUCWMYFKOH-RBSFLKMASA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000884517614 598126452 /nfs/dbraw/zinc/12/64/52/598126452.db2.gz SHXYZENSEVVKFU-PBHICJAKSA-N 2 0 346.475 1.091 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000916657984 696710825 /nfs/dbraw/zinc/71/08/25/696710825.db2.gz JYUZDGCAOGVBAC-GOSISDBHSA-N 2 0 344.503 1.944 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316774 695959856 /nfs/dbraw/zinc/95/98/56/695959856.db2.gz RYIIALADPGANML-CVEARBPZSA-N 2 0 325.497 1.866 20 0 EDADRP COc1ccnc(CN2CC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)c1 ZINC001031253752 696021805 /nfs/dbraw/zinc/02/18/05/696021805.db2.gz KEYMTZFWBLIYAI-WMLDXEAASA-N 2 0 346.475 1.511 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000993759478 696352340 /nfs/dbraw/zinc/35/23/40/696352340.db2.gz LHSNJUIKJXPZCX-YJBOKZPZSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1cccnc1C[N@H+]1CCC[C@@H](NC(=O)Cc2cncn2C)[C@H]1C ZINC000994214007 696584501 /nfs/dbraw/zinc/58/45/01/696584501.db2.gz VBGYQUVRURGKRV-NVXWUHKLSA-N 2 0 341.459 1.835 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000916119032 696623244 /nfs/dbraw/zinc/62/32/44/696623244.db2.gz FKMLZNGLYUFLGM-ZDUSSCGKSA-N 2 0 326.535 1.911 20 0 EDADRP Cc1oncc1CN1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247317 696632483 /nfs/dbraw/zinc/63/24/83/696632483.db2.gz CQULAJSMVYIMLI-CZUORRHYSA-N 2 0 332.448 1.548 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1ccns1 ZINC000994403439 696825934 /nfs/dbraw/zinc/82/59/34/696825934.db2.gz CFLIGANBTNOPMA-GDBMZVCRSA-N 2 0 336.505 1.751 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000916979180 696868652 /nfs/dbraw/zinc/86/86/52/696868652.db2.gz JDCOBOBDCNRWMR-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1ncsc1CC[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994504079 696941584 /nfs/dbraw/zinc/94/15/84/696941584.db2.gz GLNDPQIPPFYEKH-CABCVRRESA-N 2 0 347.488 1.860 20 0 EDADRP Cc1ncsc1CC[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994504081 696941895 /nfs/dbraw/zinc/94/18/95/696941895.db2.gz GLNDPQIPPFYEKH-GJZGRUSLSA-N 2 0 347.488 1.860 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000917570169 697040484 /nfs/dbraw/zinc/04/04/84/697040484.db2.gz GQIVFYYMLLLFJC-NVXWUHKLSA-N 2 0 333.480 1.715 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccnc1 ZINC000919628428 697305051 /nfs/dbraw/zinc/30/50/51/697305051.db2.gz SKLJQDZLCSBQCN-MSOLQXFVSA-N 2 0 345.491 1.858 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040849706 697345146 /nfs/dbraw/zinc/34/51/46/697345146.db2.gz UUFJDBUULUGFLW-SJORKVTESA-N 2 0 337.508 1.678 20 0 EDADRP O=C(NCC1CN(Cc2ccc(F)cn2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668269 697459893 /nfs/dbraw/zinc/45/98/93/697459893.db2.gz BZTFLFRLZRQWKB-MAUKXSAKSA-N 2 0 346.450 1.643 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669442 697464442 /nfs/dbraw/zinc/46/44/42/697464442.db2.gz KFJWZJGVUDWDAD-JKSUJKDBSA-N 2 0 348.516 1.608 20 0 EDADRP CCOC1CC(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001031674641 697483523 /nfs/dbraw/zinc/48/35/23/697483523.db2.gz NJWSRYQWVNNFQB-IUPXNIOVSA-N 2 0 335.492 1.191 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCC2C[NH+](CCCC3CCC3)C2)n1 ZINC001031677408 697494990 /nfs/dbraw/zinc/49/49/90/697494990.db2.gz KKMLOFSNZMTUIE-UHFFFAOYSA-N 2 0 347.507 1.687 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](Cc3cccc(OC)c3)C2)CC[N@@H+]1C ZINC001031683902 697514565 /nfs/dbraw/zinc/51/45/65/697514565.db2.gz BVJDTXHTUKNBSN-RBUKOAKNSA-N 2 0 345.487 1.974 20 0 EDADRP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](C[C@@H](O)CN2CCCC2)C1 ZINC000921113069 697515525 /nfs/dbraw/zinc/51/55/25/697515525.db2.gz VZZIWVBIVQTBNY-ZACQAIPSSA-N 2 0 325.497 1.460 20 0 EDADRP CC(C)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031730156 698066047 /nfs/dbraw/zinc/06/60/47/698066047.db2.gz FXYJYXWJSHGNGH-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCOC3CCC3)C2)CC1 ZINC001032095083 698644570 /nfs/dbraw/zinc/64/45/70/698644570.db2.gz UIQUWJSDCNWWMU-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000940117538 700250493 /nfs/dbraw/zinc/25/04/93/700250493.db2.gz VFNWIMDHMMCXSP-HZPDHXFCSA-N 2 0 345.491 1.596 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054184 699114331 /nfs/dbraw/zinc/11/43/31/699114331.db2.gz GCMKMSBUSQITGP-HOCLYGCPSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054416 699114760 /nfs/dbraw/zinc/11/47/60/699114760.db2.gz JDQTXZXBHPKZJM-SJKOYZFVSA-N 2 0 334.464 1.570 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939063878 699131053 /nfs/dbraw/zinc/13/10/53/699131053.db2.gz NQEXMYNIMGGLAX-MAUKXSAKSA-N 2 0 347.507 1.742 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939063854 699131324 /nfs/dbraw/zinc/13/13/24/699131324.db2.gz NDDISDDHQKKTLM-MAUKXSAKSA-N 2 0 337.508 1.581 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001031776920 699170640 /nfs/dbraw/zinc/17/06/40/699170640.db2.gz QQPMGVXDQSIXDR-IBGZPJMESA-N 2 0 345.487 1.865 20 0 EDADRP CCc1nnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137615 699225065 /nfs/dbraw/zinc/22/50/65/699225065.db2.gz LEFBREBEMWJPTH-KGLIPLIRSA-N 2 0 349.479 1.300 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137933 699226003 /nfs/dbraw/zinc/22/60/03/699226003.db2.gz PLNNDKWTFYEROL-ZFWWWQNUSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939138456 699236004 /nfs/dbraw/zinc/23/60/04/699236004.db2.gz ZAJNECMJNRMLBN-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC001031799915 699330451 /nfs/dbraw/zinc/33/04/51/699330451.db2.gz JNRKHWGWWOJPLX-AWEZNQCLSA-N 2 0 328.416 1.341 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939257076 699434527 /nfs/dbraw/zinc/43/45/27/699434527.db2.gz JEJDDYMYXVJQIX-KBXCAEBGSA-N 2 0 348.491 1.905 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939394165 699544535 /nfs/dbraw/zinc/54/45/35/699544535.db2.gz BLNMGFVMDCXWCK-HIFRSBDPSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939396541 699546445 /nfs/dbraw/zinc/54/64/45/699546445.db2.gz KAJCBVDGTLRRKA-SJLPKXTDSA-N 2 0 337.508 1.581 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547586 699673004 /nfs/dbraw/zinc/67/30/04/699673004.db2.gz YAZBLIIEHBCQMN-CJNGLKHVSA-N 2 0 332.448 1.269 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)sn1 ZINC000939552264 699701993 /nfs/dbraw/zinc/70/19/93/699701993.db2.gz WRDUIRBMBIICSQ-IUODEOHRSA-N 2 0 334.489 1.484 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@H]2C)cc1 ZINC000939622859 699760063 /nfs/dbraw/zinc/76/00/63/699760063.db2.gz OQVIMHJTGOBJBR-ACJLOTCBSA-N 2 0 342.443 1.906 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166162 701620090 /nfs/dbraw/zinc/62/00/90/701620090.db2.gz GGZFKOQIWIOJAW-GJZGRUSLSA-N 2 0 348.516 1.922 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939755116 699906034 /nfs/dbraw/zinc/90/60/34/699906034.db2.gz PMWZRAIUAYNNEE-HIFRSBDPSA-N 2 0 336.867 1.767 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)[nH]1 ZINC000940154086 700283933 /nfs/dbraw/zinc/28/39/33/700283933.db2.gz OLCBATKVHOBQOG-UHFFFAOYSA-N 2 0 334.468 1.068 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccn2CC)CC1)[NH+](C)C ZINC000940176525 700308752 /nfs/dbraw/zinc/30/87/52/700308752.db2.gz JXZHSXNNPXBRME-OAHLLOKOSA-N 2 0 335.496 1.714 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000940176836 700309586 /nfs/dbraw/zinc/30/95/86/700309586.db2.gz QZQWFMTZTUYZPV-CVEARBPZSA-N 2 0 347.463 1.557 20 0 EDADRP Cn1nccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995058316 700439373 /nfs/dbraw/zinc/43/93/73/700439373.db2.gz XFLWLHLBNLPCOG-HZPDHXFCSA-N 2 0 347.507 1.669 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnnn2CC)CC1)[NH+](C)C ZINC000940337440 700495680 /nfs/dbraw/zinc/49/56/80/700495680.db2.gz MJCBJOIFMMLGCP-HNNXBMFYSA-N 2 0 336.484 1.109 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000940327991 700505810 /nfs/dbraw/zinc/50/58/10/700505810.db2.gz BWNSMDNALXHHLI-DZGCQCFKSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000940329176 700508399 /nfs/dbraw/zinc/50/83/99/700508399.db2.gz QVMURXBWFUINCB-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940329183 700508648 /nfs/dbraw/zinc/50/86/48/700508648.db2.gz QYFIPCQUISKHOS-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000940335193 700515426 /nfs/dbraw/zinc/51/54/26/700515426.db2.gz XSBJGFACJHYDIF-KRWDZBQOSA-N 2 0 347.507 1.640 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940427248 700621610 /nfs/dbraw/zinc/62/16/10/700621610.db2.gz FWUZWKFHZPFJKB-UHFFFAOYSA-N 2 0 344.419 1.315 20 0 EDADRP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000940441988 700643855 /nfs/dbraw/zinc/64/38/55/700643855.db2.gz VXMSTXSTIWEBEV-APWZRJJASA-N 2 0 335.492 1.480 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccc(F)cn3)C2)CC1 ZINC000995076700 700651520 /nfs/dbraw/zinc/65/15/20/700651520.db2.gz FGJPEBJXRXCZDQ-RHSMWYFYSA-N 2 0 348.466 1.937 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472771 700658206 /nfs/dbraw/zinc/65/82/06/700658206.db2.gz WWFHCYZZAAEUJT-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000940457421 700660898 /nfs/dbraw/zinc/66/08/98/700660898.db2.gz FCCXKAHDZSTPQK-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940462060 700665628 /nfs/dbraw/zinc/66/56/28/700665628.db2.gz YWGUFFPPVIPJAH-HNNXBMFYSA-N 2 0 348.495 1.029 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078640 700671726 /nfs/dbraw/zinc/67/17/26/700671726.db2.gz KLXLTKVLCWZDMC-RDJZCZTQSA-N 2 0 347.507 1.619 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000995100967 700890465 /nfs/dbraw/zinc/89/04/65/700890465.db2.gz DUBOHDSZMXNJKQ-HZPDHXFCSA-N 2 0 347.507 1.527 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC000995102600 700910430 /nfs/dbraw/zinc/91/04/30/700910430.db2.gz INAYNPHIVFKLAK-DOTOQJQBSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852801 700952880 /nfs/dbraw/zinc/95/28/80/700952880.db2.gz FJNGIJFURHMWMI-GUYCJALGSA-N 2 0 344.459 1.854 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000941157491 701221042 /nfs/dbraw/zinc/22/10/42/701221042.db2.gz CJDKLQXKERURRW-SJORKVTESA-N 2 0 339.524 1.850 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941164917 701230774 /nfs/dbraw/zinc/23/07/74/701230774.db2.gz YVTBFVUGMKZHBF-IRXDYDNUSA-N 2 0 347.507 1.442 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999170378 706599903 /nfs/dbraw/zinc/59/99/03/706599903.db2.gz PTDAYWYCWCMCEC-DLBZAZTESA-N 2 0 346.475 1.659 20 0 EDADRP CC1(C)C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166980 701377815 /nfs/dbraw/zinc/37/78/15/701377815.db2.gz NTKYRMVBXYIBMP-KRWDZBQOSA-N 2 0 349.519 1.868 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941444714 701536285 /nfs/dbraw/zinc/53/62/85/701536285.db2.gz VOPWJZKPAJXVTJ-AEFFLSMTSA-N 2 0 338.540 1.447 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001032129105 701810827 /nfs/dbraw/zinc/81/08/27/701810827.db2.gz QQFYVPPYVLIRLT-ZWKOTPCHSA-N 2 0 347.507 1.131 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130374 701840857 /nfs/dbraw/zinc/84/08/57/701840857.db2.gz NGFFNWPQKABEPY-UHFFFAOYSA-N 2 0 329.444 1.339 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827772 702101669 /nfs/dbraw/zinc/10/16/69/702101669.db2.gz WGCWYGDBCVTQMZ-XYPHTWIQSA-N 2 0 348.466 1.888 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)CC[N@@H+]1C ZINC000999199944 706643514 /nfs/dbraw/zinc/64/35/14/706643514.db2.gz ISDDVUPVANCXSE-YESZJQIVSA-N 2 0 333.480 1.194 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001032206528 702150378 /nfs/dbraw/zinc/15/03/78/702150378.db2.gz CNHUWQWQMYQMOT-YJBOKZPZSA-N 2 0 345.487 1.977 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)c1 ZINC001032207437 702190173 /nfs/dbraw/zinc/19/01/73/702190173.db2.gz QZYVQHVECVAWRH-QGZVFWFLSA-N 2 0 345.487 1.836 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995886868 702223203 /nfs/dbraw/zinc/22/32/03/702223203.db2.gz OJJHBOJQSMDDCS-IRXDYDNUSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890457 702231679 /nfs/dbraw/zinc/23/16/79/702231679.db2.gz BBSKQVKSEAAGGO-SJORKVTESA-N 2 0 330.476 1.748 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995919341 702239385 /nfs/dbraw/zinc/23/93/85/702239385.db2.gz YZMBKJZLOYODTL-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)cn1 ZINC000944167596 702407009 /nfs/dbraw/zinc/40/70/09/702407009.db2.gz FLNNMQDNSRRNJI-PBHICJAKSA-N 2 0 343.475 1.207 20 0 EDADRP C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058595 702509515 /nfs/dbraw/zinc/50/95/15/702509515.db2.gz ZACRNVNKEKFFNC-DOTOQJQBSA-N 2 0 347.507 1.685 20 0 EDADRP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098784 702592828 /nfs/dbraw/zinc/59/28/28/702592828.db2.gz ASKKPLPEHVMFSF-TZMCWYRMSA-N 2 0 325.478 1.242 20 0 EDADRP COCC[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994438 702594258 /nfs/dbraw/zinc/59/42/58/702594258.db2.gz YHEGEFRMIFFSJQ-MSOLQXFVSA-N 2 0 331.460 1.026 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC[C@@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996224505 702634046 /nfs/dbraw/zinc/63/40/46/702634046.db2.gz WNJDUDOEWKOLGP-WBVHZDCISA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301145 702693014 /nfs/dbraw/zinc/69/30/14/702693014.db2.gz QWCZCELQOPAQTG-PBHICJAKSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302691 702694598 /nfs/dbraw/zinc/69/45/98/702694598.db2.gz YVVKXQJEDPZONW-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995214047 702716028 /nfs/dbraw/zinc/71/60/28/702716028.db2.gz RBEWBBAGWUZNPJ-AEFFLSMTSA-N 2 0 330.476 1.860 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996465115 702792078 /nfs/dbraw/zinc/79/20/78/702792078.db2.gz QMUHSGJQFIGOAP-GDBMZVCRSA-N 2 0 348.495 1.330 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@@H](C)O)C(C)(C)C2)CC1 ZINC000996477640 702809460 /nfs/dbraw/zinc/80/94/60/702809460.db2.gz YGMKDYFEPMOOQD-ZBFHGGJFSA-N 2 0 325.497 1.314 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996501087 702840041 /nfs/dbraw/zinc/84/00/41/702840041.db2.gz JXMBSCFUSDWQLI-RDJZCZTQSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996515272 702850823 /nfs/dbraw/zinc/85/08/23/702850823.db2.gz PRGWBCDMZMAACH-WBVHZDCISA-N 2 0 345.491 1.453 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996521310 702857219 /nfs/dbraw/zinc/85/72/19/702857219.db2.gz RJDAOAFGHDEQRC-OAHLLOKOSA-N 2 0 345.491 1.325 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996559133 702873572 /nfs/dbraw/zinc/87/35/72/702873572.db2.gz BDRAHIKQZMXHRW-MSOLQXFVSA-N 2 0 335.492 1.478 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnns3)CC2)CC[N@@H+]1C ZINC000996601841 702908527 /nfs/dbraw/zinc/90/85/27/702908527.db2.gz AKIDQVHGMNFECV-LSDHHAIUSA-N 2 0 337.493 1.349 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996607656 702911141 /nfs/dbraw/zinc/91/11/41/702911141.db2.gz DJVOSJSCSMNKBK-IAGOWNOFSA-N 2 0 330.476 1.668 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)C1 ZINC000996611728 702917021 /nfs/dbraw/zinc/91/70/21/702917021.db2.gz OJEYABBQZJKPNX-OFLPRAFFSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cc(C4CC4)no3)C(C)(C)C2)C1 ZINC000996617380 702924422 /nfs/dbraw/zinc/92/44/22/702924422.db2.gz UYMCBYNNWCBKMF-PBHICJAKSA-N 2 0 346.475 1.830 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)CCC1 ZINC000996667743 702964728 /nfs/dbraw/zinc/96/47/28/702964728.db2.gz XTKPAHJAEGDEHP-MRXNPFEDSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996667820 702964974 /nfs/dbraw/zinc/96/49/74/702964974.db2.gz YZDKUZNUVOSDTB-UHFFFAOYSA-N 2 0 337.493 1.411 20 0 EDADRP O=C([C@@H]1CCCc2nccn21)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996676162 702975190 /nfs/dbraw/zinc/97/51/90/702975190.db2.gz FWZWENPABUVVGY-KRWDZBQOSA-N 2 0 339.443 1.936 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996688410 702985600 /nfs/dbraw/zinc/98/56/00/702985600.db2.gz IPFSVNFCJQXFLX-KRWDZBQOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C)n2CC)CC1)[NH+](C)C ZINC000996714566 703009400 /nfs/dbraw/zinc/00/94/00/703009400.db2.gz BXYZCPMYIWFQSF-OAHLLOKOSA-N 2 0 336.484 1.027 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996761869 703053702 /nfs/dbraw/zinc/05/37/02/703053702.db2.gz HCKUMKAVBSIVGG-CQSZACIVSA-N 2 0 328.416 1.565 20 0 EDADRP O=C(N1CCC([NH2+]CC[C@H]2CCOC2)CC1)C12CCC[NH+]1CCC2 ZINC000996768429 703055671 /nfs/dbraw/zinc/05/56/71/703055671.db2.gz BIFGZPURXFJOQF-INIZCTEOSA-N 2 0 335.492 1.622 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)cn1 ZINC000996771024 703061177 /nfs/dbraw/zinc/06/11/77/703061177.db2.gz ZZUJJOWTRQJPRF-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP C[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598141 703113083 /nfs/dbraw/zinc/11/30/83/703113083.db2.gz RXDBMBKMLXYXLP-CRAIPNDOSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598143 703113243 /nfs/dbraw/zinc/11/32/43/703113243.db2.gz RXDBMBKMLXYXLP-QAPCUYQASA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C(F)(F)F ZINC000996855825 703134032 /nfs/dbraw/zinc/13/40/32/703134032.db2.gz IZWPVKVVYKVZEI-OLZOCXBDSA-N 2 0 333.398 1.717 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996860543 703143924 /nfs/dbraw/zinc/14/39/24/703143924.db2.gz SMPJKBMSQLBYGN-OLZOCXBDSA-N 2 0 344.381 1.897 20 0 EDADRP CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000995268048 703200117 /nfs/dbraw/zinc/20/01/17/703200117.db2.gz MXZNPGJZVLOYBR-GOSISDBHSA-N 2 0 342.487 1.848 20 0 EDADRP Cc1ncc2n1C[C@@H](C(=O)N1CCC([NH2+]C[C@H]3CCOC3)CC1)CC2 ZINC000996936287 703205297 /nfs/dbraw/zinc/20/52/97/703205297.db2.gz RXECOLFXNCVJHN-CVEARBPZSA-N 2 0 346.475 1.371 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000996957102 703220392 /nfs/dbraw/zinc/22/03/92/703220392.db2.gz XHKMBYGEDHWQKZ-LBPRGKRZSA-N 2 0 334.468 1.097 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997004787 703261966 /nfs/dbraw/zinc/26/19/66/703261966.db2.gz GOKOEHONYFUICI-AWEZNQCLSA-N 2 0 348.491 1.968 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008980 703262210 /nfs/dbraw/zinc/26/22/10/703262210.db2.gz NQOAGZJOBYPXHL-ZBFHGGJFSA-N 2 0 333.480 1.181 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997005233 703262484 /nfs/dbraw/zinc/26/24/84/703262484.db2.gz DFNXZLFOYGLHMG-GOEBONIOSA-N 2 0 348.495 1.137 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000997008477 703266522 /nfs/dbraw/zinc/26/65/22/703266522.db2.gz MMUDZBOUOAKFPX-KXBFYZLASA-N 2 0 345.487 1.974 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC000997116031 703370193 /nfs/dbraw/zinc/37/01/93/703370193.db2.gz RNBGNEORYQYRDT-WMZOPIPTSA-N 2 0 337.508 1.866 20 0 EDADRP O=C1N[C@H](C[NH+]2CCCCC2)C(=O)N1CCCCC[NH+]1CCCC1 ZINC000925339229 703451748 /nfs/dbraw/zinc/45/17/48/703451748.db2.gz WYAJKLLETYIZRU-MRXNPFEDSA-N 2 0 336.480 1.659 20 0 EDADRP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997171398 703453153 /nfs/dbraw/zinc/45/31/53/703453153.db2.gz RKCDMWULYYSCTG-HNAYVOBHSA-N 2 0 333.476 1.425 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997188207 703477999 /nfs/dbraw/zinc/47/79/99/703477999.db2.gz YXSZXCXXSZIRIN-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997289062 703550527 /nfs/dbraw/zinc/55/05/27/703550527.db2.gz IMPUNBQDXCRQSW-OAHLLOKOSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997334036 703562531 /nfs/dbraw/zinc/56/25/31/703562531.db2.gz QQJQTMRRCLWNBC-AEFFLSMTSA-N 2 0 339.524 1.848 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2nccn2C(F)F)CC1 ZINC000997307408 703565630 /nfs/dbraw/zinc/56/56/30/703565630.db2.gz QQTMVBKYFOXEKJ-UHFFFAOYSA-N 2 0 341.406 1.455 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997361412 703598624 /nfs/dbraw/zinc/59/86/24/703598624.db2.gz UVSZGONBEACRFW-IYBDPMFKSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997365334 703598815 /nfs/dbraw/zinc/59/88/15/703598815.db2.gz RKIZLEIVRYJDNQ-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP CCO[C@@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+](C)C ZINC000921586672 703628986 /nfs/dbraw/zinc/62/89/86/703628986.db2.gz DMVFNBMYQSZIPK-GPANFISMSA-N 2 0 328.501 1.373 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000997371770 703650770 /nfs/dbraw/zinc/65/07/70/703650770.db2.gz BAFMISQVTOKEMB-JKSUJKDBSA-N 2 0 339.524 1.704 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCO)CC1 ZINC000997385981 703655526 /nfs/dbraw/zinc/65/55/26/703655526.db2.gz GJQXCZXVWRBBSM-SJLPKXTDSA-N 2 0 339.524 1.850 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997434954 703664981 /nfs/dbraw/zinc/66/49/81/703664981.db2.gz RLWUOEFYZWSQRA-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997419882 703670025 /nfs/dbraw/zinc/67/00/25/703670025.db2.gz DFOCQDVGGGPIFQ-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997514682 703764833 /nfs/dbraw/zinc/76/48/33/703764833.db2.gz ILFCSLOVSDDGHW-KBXCAEBGSA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997606882 703905675 /nfs/dbraw/zinc/90/56/75/703905675.db2.gz MMYDUJSYSVCRED-HNNXBMFYSA-N 2 0 348.495 1.351 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997641515 703949333 /nfs/dbraw/zinc/94/93/33/703949333.db2.gz FWUXTRWVFLWSDQ-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553099 703964767 /nfs/dbraw/zinc/96/47/67/703964767.db2.gz SOASCGAUCRNDLO-SJORKVTESA-N 2 0 330.476 1.811 20 0 EDADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530906 704036435 /nfs/dbraw/zinc/03/64/35/704036435.db2.gz XIWZSFJHNCFZDU-VIYSVWJJSA-N 2 0 347.503 1.571 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nn1C ZINC000997824021 704743381 /nfs/dbraw/zinc/74/33/81/704743381.db2.gz PFWAYJSVQQYEBJ-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997840100 704756470 /nfs/dbraw/zinc/75/64/70/704756470.db2.gz MJZKQHPSBQCSBY-MRXNPFEDSA-N 2 0 348.495 1.316 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997841297 704757724 /nfs/dbraw/zinc/75/77/24/704757724.db2.gz SPGIGNNAKZBEDY-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC000997854536 704766714 /nfs/dbraw/zinc/76/67/14/704766714.db2.gz FYPAMQFECNYQLU-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997863565 704770481 /nfs/dbraw/zinc/77/04/81/704770481.db2.gz AUTMHTNAYKMKOV-QGZVFWFLSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@@H]1CN(Cc2coc(C3CC3)n2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942560 704794710 /nfs/dbraw/zinc/79/47/10/704794710.db2.gz BCJMUXQSHJZGRL-PBHICJAKSA-N 2 0 346.475 1.974 20 0 EDADRP Cc1ccnc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944943396 704795808 /nfs/dbraw/zinc/79/58/08/704795808.db2.gz HJKONNGKCFNRNU-GOEBONIOSA-N 2 0 331.464 1.207 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@@H]1CCOC1 ZINC001032573117 704946457 /nfs/dbraw/zinc/94/64/57/704946457.db2.gz AGVUZTOMLJGEAA-OWSLCNJRSA-N 2 0 335.492 1.573 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997942734 705061173 /nfs/dbraw/zinc/06/11/73/705061173.db2.gz KXXHTZKSJPCKOK-HKUYNNGSSA-N 2 0 349.519 1.726 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998032233 705217268 /nfs/dbraw/zinc/21/72/68/705217268.db2.gz QSNQXJXSTYSQAM-UHFFFAOYSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000998081224 705301476 /nfs/dbraw/zinc/30/14/76/705301476.db2.gz HDWCLEATGSVUKZ-ZDUSSCGKSA-N 2 0 335.452 1.191 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998081553 705301898 /nfs/dbraw/zinc/30/18/98/705301898.db2.gz JKLYYBDXSFVFDS-KBPBESRZSA-N 2 0 349.479 1.609 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998080516 705306340 /nfs/dbraw/zinc/30/63/40/705306340.db2.gz BXNQQCDYWCEZDZ-RHSMWYFYSA-N 2 0 348.491 1.763 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998082540 705310134 /nfs/dbraw/zinc/31/01/34/705310134.db2.gz QQJKTBBUZFPNQR-OAHLLOKOSA-N 2 0 348.491 1.907 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998083026 705310995 /nfs/dbraw/zinc/31/09/95/705310995.db2.gz SVQMVYJOZQADFF-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083072 705311741 /nfs/dbraw/zinc/31/17/41/705311741.db2.gz UKDCXSSCFXUUMS-OAHLLOKOSA-N 2 0 345.491 1.455 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nnc(C)s2)CC1)[NH+](C)C ZINC000998085959 705318489 /nfs/dbraw/zinc/31/84/89/705318489.db2.gz LDKXUGDRHIUZEP-AWEZNQCLSA-N 2 0 339.509 1.515 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC[C@@H]3CCCCO3)C2)CC1 ZINC001015898517 705420940 /nfs/dbraw/zinc/42/09/40/705420940.db2.gz FRJDRPNOWHVAIZ-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998215488 705536548 /nfs/dbraw/zinc/53/65/48/705536548.db2.gz AFRXEVFWKHFRSK-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nc([C@@H](C)NCC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998216251 705537829 /nfs/dbraw/zinc/53/78/29/705537829.db2.gz FOMCZQFBKQVUNX-CJNGLKHVSA-N 2 0 349.479 1.609 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998216617 705539046 /nfs/dbraw/zinc/53/90/46/705539046.db2.gz IMOKCASNFYFBKB-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)C1 ZINC000998217676 705540373 /nfs/dbraw/zinc/54/03/73/705540373.db2.gz QNVMCDNWQVNVDF-HNNXBMFYSA-N 2 0 336.505 1.813 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998268808 705644998 /nfs/dbraw/zinc/64/49/98/705644998.db2.gz JLSSCVKGZTUSAI-OAHLLOKOSA-N 2 0 334.464 1.968 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000998286188 705682030 /nfs/dbraw/zinc/68/20/30/705682030.db2.gz HYWIFDYLVLHJDX-INIZCTEOSA-N 2 0 348.495 1.018 20 0 EDADRP CN(C(=O)[C@@H]1CN(C)CCO1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000998583034 706019005 /nfs/dbraw/zinc/01/90/05/706019005.db2.gz NKHRHTIJJPRDEY-ABHNRTSZSA-N 2 0 331.460 1.139 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)sc1C ZINC000998724451 706156181 /nfs/dbraw/zinc/15/61/81/706156181.db2.gz UEHPVZQFKRWMPC-LSDHHAIUSA-N 2 0 336.505 1.935 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998762383 706200706 /nfs/dbraw/zinc/20/07/06/706200706.db2.gz CQJNYFDYUWFXCB-PIMMBPRGSA-N 2 0 337.493 1.490 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998765139 706204477 /nfs/dbraw/zinc/20/44/77/706204477.db2.gz VYQOTFQMMVHXIP-JCYILVPMSA-N 2 0 334.464 1.935 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC(NCc3noc(C4CC4)n3)C2)CC[N@@H+]1C ZINC000998790729 706237526 /nfs/dbraw/zinc/23/75/26/706237526.db2.gz DATLEWPKHJKJFR-GALLPEHLSA-N 2 0 347.463 1.366 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000998866497 706296515 /nfs/dbraw/zinc/29/65/15/706296515.db2.gz KEXUVCNGAKYPOL-VMWRSERWSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1noc(CNC2CC(N(C)C(=O)[C@@H]3CCCc4nccn43)C2)n1 ZINC000998902697 706339662 /nfs/dbraw/zinc/33/96/62/706339662.db2.gz XIKIGRMZCUFQML-RUXDESIVSA-N 2 0 344.419 1.231 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000998993480 706425523 /nfs/dbraw/zinc/42/55/23/706425523.db2.gz FBCUCQVFCIIOJV-UYSNPLJNSA-N 2 0 347.463 1.049 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999036327 706451331 /nfs/dbraw/zinc/45/13/31/706451331.db2.gz STDSNYAZMWOSOS-VMWRSERWSA-N 2 0 347.507 1.620 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999049191 706469293 /nfs/dbraw/zinc/46/92/93/706469293.db2.gz CXCPGBOTMNGDEN-UHFFFAOYSA-N 2 0 328.460 1.789 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999349202 706861553 /nfs/dbraw/zinc/86/15/53/706861553.db2.gz ROJPLQVCYIQRMC-IRXDYDNUSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)ncn1 ZINC000999350518 706863305 /nfs/dbraw/zinc/86/33/05/706863305.db2.gz YDUSFOXILSFVFQ-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)ncn1 ZINC000999377923 706872231 /nfs/dbraw/zinc/87/22/31/706872231.db2.gz XGRCXGTVHSJVEE-RDJZCZTQSA-N 2 0 331.464 1.206 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1)C1CCC1 ZINC000999366395 706880345 /nfs/dbraw/zinc/88/03/45/706880345.db2.gz XWJCZIOWRNFIMD-MRXNPFEDSA-N 2 0 334.439 1.786 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1)C1CC1 ZINC000999366982 706881011 /nfs/dbraw/zinc/88/10/11/706881011.db2.gz CZSJYFUMAHBRPV-YJBOKZPZSA-N 2 0 346.475 1.973 20 0 EDADRP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999402939 706911338 /nfs/dbraw/zinc/91/13/38/706911338.db2.gz LRMYMSYWGDDXAE-UHFFFAOYSA-N 2 0 348.495 1.109 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999403189 706911789 /nfs/dbraw/zinc/91/17/89/706911789.db2.gz VAZXNFPULFPGPG-IRXDYDNUSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999409878 706919920 /nfs/dbraw/zinc/91/99/20/706919920.db2.gz UHMWCSHIVIBTPH-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999505591 707003092 /nfs/dbraw/zinc/00/30/92/707003092.db2.gz KHYXNGMQHBGASD-ABHNRTSZSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1C ZINC000999515128 707013922 /nfs/dbraw/zinc/01/39/22/707013922.db2.gz XJRLFFDCDQAKIP-DOTOQJQBSA-N 2 0 333.480 1.293 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999515543 707014602 /nfs/dbraw/zinc/01/46/02/707014602.db2.gz YFUZNJCCJPLABD-WMZOPIPTSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999515169 707014674 /nfs/dbraw/zinc/01/46/74/707014674.db2.gz YFUZNJCCJPLABD-FUHWJXTLSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC000999533911 707034591 /nfs/dbraw/zinc/03/45/91/707034591.db2.gz BCNMIAWSPIAENC-GJZGRUSLSA-N 2 0 343.431 1.523 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594559 707097969 /nfs/dbraw/zinc/09/79/69/707097969.db2.gz BQKDFXUVVFMVSB-INIZCTEOSA-N 2 0 332.448 1.692 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]Cc2cccnc2)C1)C12CCC[NH+]1CCC2 ZINC000999595599 707098754 /nfs/dbraw/zinc/09/87/54/707098754.db2.gz GUESEZPMDJZIMW-QGZVFWFLSA-N 2 0 328.460 1.791 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)[nH]1 ZINC000999601741 707103709 /nfs/dbraw/zinc/10/37/09/707103709.db2.gz NICWPTNBQFDJIM-JEYLPNPQSA-N 2 0 348.495 1.485 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000999682149 707167295 /nfs/dbraw/zinc/16/72/95/707167295.db2.gz LOYGAKNNRZCNKG-GTPINHCMSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946710190 707181710 /nfs/dbraw/zinc/18/17/10/707181710.db2.gz ILLGAWUJNXADQZ-ZACQAIPSSA-N 2 0 337.508 1.412 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776783 707193517 /nfs/dbraw/zinc/19/35/17/707193517.db2.gz SNHTZRCXDMAMKD-CALCHBBNSA-N 2 0 337.508 1.535 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999700290 707230476 /nfs/dbraw/zinc/23/04/76/707230476.db2.gz ZBXFDNNXVASTQT-UHFFFAOYSA-N 2 0 342.447 1.274 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999688287 707241828 /nfs/dbraw/zinc/24/18/28/707241828.db2.gz KCIKFVLYPBLUHH-GRTSSRMGSA-N 2 0 329.435 1.953 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033271728 707325230 /nfs/dbraw/zinc/32/52/30/707325230.db2.gz KKHOFSXNCFLGAF-RHSMWYFYSA-N 2 0 328.416 1.517 20 0 EDADRP Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999747407 707347584 /nfs/dbraw/zinc/34/75/84/707347584.db2.gz NRQDROJTDSLLAB-UYSNPLJNSA-N 2 0 334.464 1.799 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033183180 707358965 /nfs/dbraw/zinc/35/89/65/707358965.db2.gz WUZKHWDGVCZQHA-SJORKVTESA-N 2 0 335.492 1.432 20 0 EDADRP Cc1nocc1CN1CC[C@@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295738 707422602 /nfs/dbraw/zinc/42/26/02/707422602.db2.gz MQQYQRFBHSHUHY-MSOLQXFVSA-N 2 0 346.475 1.890 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033308217 707472946 /nfs/dbraw/zinc/47/29/46/707472946.db2.gz FHUJAZLPBAGXQJ-YOEHRIQHSA-N 2 0 328.416 1.399 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033320991 707517586 /nfs/dbraw/zinc/51/75/86/707517586.db2.gz YXZCWGHMWQOVTF-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946758477 707600117 /nfs/dbraw/zinc/60/01/17/707600117.db2.gz LMFYGZATHJETCN-RYQLBKOJSA-N 2 0 337.508 1.534 20 0 EDADRP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004930263 707678283 /nfs/dbraw/zinc/67/82/83/707678283.db2.gz STGRUNYEFVRGPV-RHSMWYFYSA-N 2 0 348.495 1.016 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946764895 707765233 /nfs/dbraw/zinc/76/52/33/707765233.db2.gz DELGPZKUROZJEW-WNRNVDISSA-N 2 0 339.524 1.778 20 0 EDADRP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033416383 707796133 /nfs/dbraw/zinc/79/61/33/707796133.db2.gz PEOYVVQNFRLRTG-YOEHRIQHSA-N 2 0 329.460 1.114 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417267 707799759 /nfs/dbraw/zinc/79/97/59/707799759.db2.gz VSPPSWBMDHIKLU-PBHICJAKSA-N 2 0 329.460 1.378 20 0 EDADRP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033417879 707801226 /nfs/dbraw/zinc/80/12/26/707801226.db2.gz BBKBADAOZWGUIF-QAPCUYQASA-N 2 0 330.476 1.765 20 0 EDADRP CCn1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004988202 707844988 /nfs/dbraw/zinc/84/49/88/707844988.db2.gz AZYIZTUKYINXNG-AEFFLSMTSA-N 2 0 347.507 1.858 20 0 EDADRP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nn1 ZINC001004991641 707856475 /nfs/dbraw/zinc/85/64/75/707856475.db2.gz LIJRWXBASXKXQQ-RDJZCZTQSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1nocc1CN1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225754 707862597 /nfs/dbraw/zinc/86/25/97/707862597.db2.gz KMGVNTOTATVWFK-MRXNPFEDSA-N 2 0 332.448 1.644 20 0 EDADRP COc1ccc(C)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001032781224 707966396 /nfs/dbraw/zinc/96/63/96/707966396.db2.gz OFGRVUZOHCWILZ-SZMVWBNQSA-N 2 0 343.471 1.740 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccccc2)C1 ZINC001032781513 707968405 /nfs/dbraw/zinc/96/84/05/707968405.db2.gz YBROFGOULIEYSU-ULQDDVLXSA-N 2 0 329.444 1.302 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001001410988 708144999 /nfs/dbraw/zinc/14/49/99/708144999.db2.gz CQMFWHVSDLYRGA-LJQANCHMSA-N 2 0 342.487 1.752 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)c(F)c1 ZINC000921843224 708195922 /nfs/dbraw/zinc/19/59/22/708195922.db2.gz RPJWRNKJFHAYNQ-UHFFFAOYSA-N 2 0 338.423 1.937 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582951 708266693 /nfs/dbraw/zinc/26/66/93/708266693.db2.gz RTBAMMYVXIQLHB-CVEARBPZSA-N 2 0 334.464 1.666 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC001033657938 708429615 /nfs/dbraw/zinc/42/96/15/708429615.db2.gz OSDYFCIJOIQYFF-KRWDZBQOSA-N 2 0 333.480 1.074 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033664276 708445843 /nfs/dbraw/zinc/44/58/43/708445843.db2.gz FCFMYAPFVKBXPJ-IEBWSBKVSA-N 2 0 344.503 1.737 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033658767 708469768 /nfs/dbraw/zinc/46/97/68/708469768.db2.gz UHAGGDCTFDCEFW-QZTJIDSGSA-N 2 0 337.508 1.556 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033659145 708470452 /nfs/dbraw/zinc/47/04/52/708470452.db2.gz VMHQZNBGKPYSON-MOPGFXCFSA-N 2 0 345.487 1.219 20 0 EDADRP CCc1nnc(CN2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001002042746 708532918 /nfs/dbraw/zinc/53/29/18/708532918.db2.gz IGSFDOWPRMXNLF-UHFFFAOYSA-N 2 0 347.463 1.056 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001002044067 708534968 /nfs/dbraw/zinc/53/49/68/708534968.db2.gz XQFBQTXZCDNFDB-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP CCc1cnc(CN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002119471 708632512 /nfs/dbraw/zinc/63/25/12/708632512.db2.gz ALMNPHUFIADWIE-OAHLLOKOSA-N 2 0 334.464 1.517 20 0 EDADRP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385765 708827646 /nfs/dbraw/zinc/82/76/46/708827646.db2.gz VZEOXLOMOGKMCL-RDJZCZTQSA-N 2 0 325.497 1.817 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033839500 708869564 /nfs/dbraw/zinc/86/95/64/708869564.db2.gz XCTNTCIKRWBZQX-INIZCTEOSA-N 2 0 335.496 1.637 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001002476758 709013170 /nfs/dbraw/zinc/01/31/70/709013170.db2.gz TXZUGQLCZGUUSQ-HNNXBMFYSA-N 2 0 334.464 1.720 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001002476800 709013744 /nfs/dbraw/zinc/01/37/44/709013744.db2.gz UQSHRXDNNWTSHW-QGZVFWFLSA-N 2 0 343.431 1.398 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001002477311 709014193 /nfs/dbraw/zinc/01/41/93/709014193.db2.gz YINZMGQPPCSTKY-ZWKOTPCHSA-N 2 0 331.460 1.395 20 0 EDADRP O=C(C[NH+]1CCCC1)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000921937177 709070515 /nfs/dbraw/zinc/07/05/15/709070515.db2.gz YKRCJRFUZDCKKJ-UHFFFAOYSA-N 2 0 345.487 1.616 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001034043902 709295398 /nfs/dbraw/zinc/29/53/98/709295398.db2.gz YEEUOUDUJJYEJG-AEFFLSMTSA-N 2 0 330.476 1.765 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]3C[NH2+]CCOC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702047575 709309852 /nfs/dbraw/zinc/30/98/52/709309852.db2.gz BMBUKXPMDLOYNP-CMKODMSKSA-N 2 0 343.471 1.203 20 0 EDADRP C[C@]12CN(CCN3CC[NH2+]CC3)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702087296 709330683 /nfs/dbraw/zinc/33/06/83/709330683.db2.gz SHBODUFOASCFLG-VQTJNVASSA-N 2 0 328.504 1.346 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034132928 709403148 /nfs/dbraw/zinc/40/31/48/709403148.db2.gz VEVZKMPKHYUNDX-IRXDYDNUSA-N 2 0 333.480 1.028 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289560 709713276 /nfs/dbraw/zinc/71/32/76/709713276.db2.gz VFZKGYCFXAVNGB-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ncoc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034376882 709897066 /nfs/dbraw/zinc/89/70/66/709897066.db2.gz HRXWEERZUDNOAA-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1oncc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386593 709914951 /nfs/dbraw/zinc/91/49/51/709914951.db2.gz SXKSKDRUSTWXBO-KRWDZBQOSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034436652 710003060 /nfs/dbraw/zinc/00/30/60/710003060.db2.gz AMXCGOWXHRWXFG-DLBZAZTESA-N 2 0 325.497 1.602 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003167918 710079710 /nfs/dbraw/zinc/07/97/10/710079710.db2.gz PWXXXWRCSBOCHN-GOSISDBHSA-N 2 0 330.476 1.955 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491101 710110813 /nfs/dbraw/zinc/11/08/13/710110813.db2.gz QKYYGWODKGLKMQ-SJLPKXTDSA-N 2 0 330.476 1.894 20 0 EDADRP CCn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034525268 710174411 /nfs/dbraw/zinc/17/44/11/710174411.db2.gz LEQAEAKAGHARIT-QZTJIDSGSA-N 2 0 347.507 1.368 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525693 710176217 /nfs/dbraw/zinc/17/62/17/710176217.db2.gz OUYUVSPWMBBVCB-RDJZCZTQSA-N 2 0 333.480 1.151 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCOc3ccccc3)C2)C1 ZINC001034526027 710177802 /nfs/dbraw/zinc/17/78/02/710177802.db2.gz RUVDPLPARJBPBL-ROUUACIJSA-N 2 0 345.487 1.988 20 0 EDADRP CCOC1CC(C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529406 710183507 /nfs/dbraw/zinc/18/35/07/710183507.db2.gz ZOMIPISDMCMZDH-ADKAHSJRSA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333245 710257403 /nfs/dbraw/zinc/25/74/03/710257403.db2.gz QIUBSIBQXFKQPI-RXHUYCNISA-N 2 0 335.492 1.476 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC001003547899 710414006 /nfs/dbraw/zinc/41/40/06/710414006.db2.gz ORNPGCLOAPVGNJ-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003625209 710454533 /nfs/dbraw/zinc/45/45/33/710454533.db2.gz CNFLYZXQZMNXNJ-VQIMIIECSA-N 2 0 345.487 1.642 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001003627980 710457681 /nfs/dbraw/zinc/45/76/81/710457681.db2.gz LBPGMKOFLVRTBF-HIFRSBDPSA-N 2 0 345.434 1.476 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628669 710458734 /nfs/dbraw/zinc/45/87/34/710458734.db2.gz SNWIOTMJFUJEQE-KSSFIOAISA-N 2 0 343.487 1.814 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)C[NH+](C)C ZINC000922257882 710536745 /nfs/dbraw/zinc/53/67/45/710536745.db2.gz VPIDTRJHTCSOGZ-LSDHHAIUSA-N 2 0 328.501 1.373 20 0 EDADRP CC1CC(C[NH+]2CCC(NC(=O)c3cnn(CC[NH+](C)C)c3)CC2)C1 ZINC001003777496 710546300 /nfs/dbraw/zinc/54/63/00/710546300.db2.gz QIPOZGSPYYEUGI-UHFFFAOYSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)ccc2c[nH+]cn21 ZINC001034681208 710667226 /nfs/dbraw/zinc/66/72/26/710667226.db2.gz XGLIGDAKWLMZQC-BPLDGKMQSA-N 2 0 330.432 1.654 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](CC[C@@H]3CCCO3)CC2)CC1 ZINC001003842413 710678609 /nfs/dbraw/zinc/67/86/09/710678609.db2.gz XTHDJEHWNKYMPQ-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)CC[N@@H+]1C ZINC001034714674 710849555 /nfs/dbraw/zinc/84/95/55/710849555.db2.gz DTDJHSCTQJUERB-VGWMRTNUSA-N 2 0 348.495 1.062 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034737251 710949691 /nfs/dbraw/zinc/94/96/91/710949691.db2.gz HYMSLJFJKKUSDM-XIRDDKMYSA-N 2 0 345.491 1.786 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034749245 710956336 /nfs/dbraw/zinc/95/63/36/710956336.db2.gz IXWXCPKXPPZOBU-FPCVCCKLSA-N 2 0 338.496 1.140 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1)C(N)=O ZINC001034756747 711008300 /nfs/dbraw/zinc/00/83/00/711008300.db2.gz NQKBZWBSUKYAKE-KBRIMQKVSA-N 2 0 346.475 1.253 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001034779632 711086376 /nfs/dbraw/zinc/08/63/76/711086376.db2.gz WUQXERFWWVNFCS-WBAXXEDZSA-N 2 0 337.508 1.506 20 0 EDADRP Cc1oncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001034831028 711237428 /nfs/dbraw/zinc/23/74/28/711237428.db2.gz IAHZXLJCOCFSRH-QGZVFWFLSA-N 2 0 342.443 1.841 20 0 EDADRP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)o1 ZINC001034884303 711287797 /nfs/dbraw/zinc/28/77/97/711287797.db2.gz DNMXIBHNYUUJIR-CABCVRRESA-N 2 0 334.464 1.720 20 0 EDADRP CC(C)c1noc(CNC[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034960347 711406449 /nfs/dbraw/zinc/40/64/49/711406449.db2.gz JQVRLAFAWYGMIB-ZBFHGGJFSA-N 2 0 349.479 1.614 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C ZINC001034953497 711417582 /nfs/dbraw/zinc/41/75/82/711417582.db2.gz BYRLJVYGZVXAMT-HZPDHXFCSA-N 2 0 333.480 1.375 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1)c1cnccn1 ZINC001034957663 711429688 /nfs/dbraw/zinc/42/96/88/711429688.db2.gz DQFQBTRLAODQRZ-GOEBONIOSA-N 2 0 331.464 1.603 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(N(C)C)n3)C2)[C@H]1C(C)C ZINC000922395624 711469079 /nfs/dbraw/zinc/46/90/79/711469079.db2.gz XOMKGUMUPQSXDR-YWTNHNAXSA-N 2 0 347.507 1.502 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004141052 711540237 /nfs/dbraw/zinc/54/02/37/711540237.db2.gz BOJXXVOSAOIFIC-MRXNPFEDSA-N 2 0 331.460 1.728 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922466463 711581933 /nfs/dbraw/zinc/58/19/33/711581933.db2.gz MAWZEAIWCRWIDV-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946614520 711861220 /nfs/dbraw/zinc/86/12/20/711861220.db2.gz AOKJUONUWHGKGS-KSZLIROESA-N 2 0 337.508 1.414 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)CC[C@@H]2C1 ZINC000946617292 711869448 /nfs/dbraw/zinc/86/94/48/711869448.db2.gz AOXCBYKPDVOAQD-HRCADAONSA-N 2 0 334.464 1.548 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CCO)CC2)C1 ZINC001004543623 711954957 /nfs/dbraw/zinc/95/49/57/711954957.db2.gz QGFUWZQNDCDKKW-QGZVFWFLSA-N 2 0 337.508 1.414 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004594659 712034177 /nfs/dbraw/zinc/03/41/77/712034177.db2.gz BPYJYQKFXCHCET-QGZVFWFLSA-N 2 0 346.475 1.457 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004619864 712081029 /nfs/dbraw/zinc/08/10/29/712081029.db2.gz MTSKFMOPSRWVIQ-ZWKOTPCHSA-N 2 0 337.508 1.556 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004620930 712082879 /nfs/dbraw/zinc/08/28/79/712082879.db2.gz SSNXWBYKARXGHV-GOSISDBHSA-N 2 0 337.508 1.558 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000370135706 282192329 /nfs/dbraw/zinc/19/23/29/282192329.db2.gz IYACCQBAWRCGDV-IECFSIQFSA-N 2 0 334.508 1.985 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343015022 539776398 /nfs/dbraw/zinc/77/63/98/539776398.db2.gz PHGYXVKYTHGLFQ-OWCLPIDISA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CCCC1 ZINC000562743718 306307334 /nfs/dbraw/zinc/30/73/34/306307334.db2.gz YNJXYAWQLUWFSA-UHFFFAOYSA-N 2 0 344.459 1.261 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C1 ZINC000562789700 306308987 /nfs/dbraw/zinc/30/89/87/306308987.db2.gz OJQFNJMBSPYAOG-OAOYMFHYSA-N 2 0 342.487 1.936 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000562795530 306309436 /nfs/dbraw/zinc/30/94/36/306309436.db2.gz NBYOTOVPEIMFLQ-AEFFLSMTSA-N 2 0 346.475 1.883 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000563198406 306322742 /nfs/dbraw/zinc/32/27/42/306322742.db2.gz XXIAVGOAQQIVGZ-OKILXGFUSA-N 2 0 330.432 1.140 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000342723773 291045807 /nfs/dbraw/zinc/04/58/07/291045807.db2.gz BBVKOWWUXAESCO-HZPDHXFCSA-N 2 0 339.480 1.237 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC[NH+]2CCC(OC)CC2)[C@H](C)C1 ZINC000163667985 540056224 /nfs/dbraw/zinc/05/62/24/540056224.db2.gz SCMWBCYCRXQLGA-IEBWSBKVSA-N 2 0 341.540 1.824 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCN2CCOCC2(C)C)CC1 ZINC000171100318 540092373 /nfs/dbraw/zinc/09/23/73/540092373.db2.gz XZASIUCQMAYVCP-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000358308389 283178604 /nfs/dbraw/zinc/17/86/04/283178604.db2.gz IYPCBJOMEVWJKC-MRXNPFEDSA-N 2 0 347.507 1.684 20 0 EDADRP O=C([C@@H]1CCCN1CCC[NH+]1CCCCC1)N1CCSCC1 ZINC000125131291 138332301 /nfs/dbraw/zinc/33/23/01/138332301.db2.gz SGOQYLKEHXAFHH-INIZCTEOSA-N 2 0 325.522 1.902 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000563600885 306341363 /nfs/dbraw/zinc/34/13/63/306341363.db2.gz JHQOPAWRXFGGIC-WMZOPIPTSA-N 2 0 338.496 1.415 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)c1 ZINC000563621178 306342579 /nfs/dbraw/zinc/34/25/79/306342579.db2.gz XVWAETSPEKGLJX-UHFFFAOYSA-N 2 0 348.447 1.025 20 0 EDADRP CC[C@H](C(=O)Nc1cccnc1CNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000413708423 304074391 /nfs/dbraw/zinc/07/43/91/304074391.db2.gz JIZQOVMAZMNBPS-JKSUJKDBSA-N 2 0 349.479 1.317 20 0 EDADRP COc1cc2c(cc1CN(CC[NH+](C)C)CC[NH+](C)C)O[C@@H](C)C2 ZINC000564316147 306357983 /nfs/dbraw/zinc/35/79/83/306357983.db2.gz WYKRPASLEAWOGV-HNNXBMFYSA-N 2 0 335.492 1.944 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+](CC3CC3)CC2)n1 ZINC000173952552 237271715 /nfs/dbraw/zinc/27/17/15/237271715.db2.gz NXXHIQAVDUONPK-UHFFFAOYSA-N 2 0 334.468 1.441 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000564850925 306367540 /nfs/dbraw/zinc/36/75/40/306367540.db2.gz ZEKUGCTWGQLNTD-GPMSIDNRSA-N 2 0 339.524 1.453 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449725583 305318039 /nfs/dbraw/zinc/31/80/39/305318039.db2.gz OBASFRZMVICVCM-FUHWJXTLSA-N 2 0 330.476 1.291 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163196 306377073 /nfs/dbraw/zinc/37/70/73/306377073.db2.gz JQWCKBJBIZCOGF-OALUTQOASA-N 2 0 341.540 1.369 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000366488971 296018517 /nfs/dbraw/zinc/01/85/17/296018517.db2.gz VRFZMBMKLINROO-HKUYNNGSSA-N 2 0 349.519 1.964 20 0 EDADRP CC[NH+](CC)CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000063757803 201050714 /nfs/dbraw/zinc/05/07/14/201050714.db2.gz MZKJBPVXEHOPGP-UHFFFAOYSA-N 2 0 332.492 1.392 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000414172966 304104433 /nfs/dbraw/zinc/10/44/33/304104433.db2.gz FWOHFDYCOHETCL-GJZGRUSLSA-N 2 0 339.505 1.977 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000566171406 306401679 /nfs/dbraw/zinc/40/16/79/306401679.db2.gz CEJHDNOLVPWWLW-UHFFFAOYSA-N 2 0 346.435 1.210 20 0 EDADRP COc1ccc([C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000414695624 304128271 /nfs/dbraw/zinc/12/82/71/304128271.db2.gz PGGPZAMRASXIKR-WBVHZDCISA-N 2 0 331.460 1.682 20 0 EDADRP CN(c1ccccc1)C1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414695345 304128404 /nfs/dbraw/zinc/12/84/04/304128404.db2.gz AGRVZFUAYWCHON-KRWDZBQOSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1C[C@@H](C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722602 304132884 /nfs/dbraw/zinc/13/28/84/304132884.db2.gz MUSPXAZIYJRCCI-IKGGRYGDSA-N 3 0 331.508 1.752 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414747587 304136636 /nfs/dbraw/zinc/13/66/36/304136636.db2.gz HDOTYUNBMAEJHF-QGZVFWFLSA-N 2 0 346.475 1.363 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000566471610 306415712 /nfs/dbraw/zinc/41/57/12/306415712.db2.gz WGBNPNGZRDMRKN-UHFFFAOYSA-N 2 0 343.431 1.658 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414810232 304143624 /nfs/dbraw/zinc/14/36/24/304143624.db2.gz VBICIGDATKQBKE-JGGQBBKZSA-N 2 0 333.432 1.907 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)(C)C ZINC000414845655 304147189 /nfs/dbraw/zinc/14/71/89/304147189.db2.gz RHGQBGZSVQIGCE-MRXNPFEDSA-N 2 0 346.475 1.711 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000414988198 304148367 /nfs/dbraw/zinc/14/83/67/304148367.db2.gz KOAMHWYQYNSWGA-UHFFFAOYSA-N 2 0 346.475 1.581 20 0 EDADRP CSC1(CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[NH+](C)CC1 ZINC000566845672 306430196 /nfs/dbraw/zinc/43/01/96/306430196.db2.gz HGSCWLCOMHTUHT-UONOGXRCSA-N 2 0 328.526 1.501 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000566919799 306433227 /nfs/dbraw/zinc/43/32/27/306433227.db2.gz VUZDNSPQYNTTCA-SFHVURJKSA-N 2 0 344.503 1.690 20 0 EDADRP COCCC(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415078561 304158177 /nfs/dbraw/zinc/15/81/77/304158177.db2.gz IWTCPWPWLVRJEG-DOTOQJQBSA-N 2 0 325.497 1.914 20 0 EDADRP O=C1N[C@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415143159 304163942 /nfs/dbraw/zinc/16/39/42/304163942.db2.gz SATGFRXCBLJIEJ-IRXDYDNUSA-N 2 0 332.423 1.546 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000236779708 139031178 /nfs/dbraw/zinc/03/11/78/139031178.db2.gz ATUBGKVBTDRRDP-MRXNPFEDSA-N 2 0 333.480 1.357 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236803012 139031956 /nfs/dbraw/zinc/03/19/56/139031956.db2.gz RTDFTWNWTCGTOG-UHFFFAOYSA-N 2 0 325.497 1.772 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159768 304168085 /nfs/dbraw/zinc/16/80/85/304168085.db2.gz GYTGDAJYYNXBLR-GDBMZVCRSA-N 2 0 330.432 1.027 20 0 EDADRP CCC[NH2+]CCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000236909976 139034873 /nfs/dbraw/zinc/03/48/73/139034873.db2.gz ITJHHBDTTYBXAL-UHFFFAOYSA-N 2 0 332.492 1.623 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCCC[NH2+]1 ZINC000237051611 139039126 /nfs/dbraw/zinc/03/91/26/139039126.db2.gz NYLIQTMQHJVNOD-KRWDZBQOSA-N 2 0 346.475 1.918 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126427429 205056113 /nfs/dbraw/zinc/05/61/13/205056113.db2.gz RGAMODZAVMMCHV-LJQANCHMSA-N 2 0 349.519 1.693 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1NC(C)=O ZINC000127687567 205112013 /nfs/dbraw/zinc/11/20/13/205112013.db2.gz WYNWUYCHPRSTAO-LSDHHAIUSA-N 2 0 348.491 1.940 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237416190 139050616 /nfs/dbraw/zinc/05/06/16/139050616.db2.gz JSCBWRMQTAGLOI-LZLYRXPVSA-N 2 0 331.460 1.503 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000415189559 304173008 /nfs/dbraw/zinc/17/30/08/304173008.db2.gz HHFUHKFLUADAHH-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415194117 304173529 /nfs/dbraw/zinc/17/35/29/304173529.db2.gz KZTDDQIUWPDTDH-MRXNPFEDSA-N 2 0 344.459 1.465 20 0 EDADRP O=C(NC1C[NH2+]C1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000237783855 139060212 /nfs/dbraw/zinc/06/02/12/139060212.db2.gz GEECYTLKDYQNOZ-HNNXBMFYSA-N 2 0 327.350 1.529 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000237870139 139062428 /nfs/dbraw/zinc/06/24/28/139062428.db2.gz XUILKUUIUYXSHE-IRXDYDNUSA-N 2 0 345.491 1.227 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000238139897 139069555 /nfs/dbraw/zinc/06/95/55/139069555.db2.gz DHYGKFJWBXVNJI-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000415248528 304178649 /nfs/dbraw/zinc/17/86/49/304178649.db2.gz WOIJULNOVBGLPZ-LJQANCHMSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000245624461 139081169 /nfs/dbraw/zinc/08/11/69/139081169.db2.gz XWKXQSXEIBCOOO-ZJXIFLPPSA-N 2 0 331.504 1.940 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)C1 ZINC000415287775 304186246 /nfs/dbraw/zinc/18/62/46/304186246.db2.gz YHTSNUIGDHYETP-OAHLLOKOSA-N 2 0 344.459 1.289 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCN3CCOCC3(C)C)CC[C@@H]21 ZINC000246554233 139112600 /nfs/dbraw/zinc/11/26/00/139112600.db2.gz BDNHGISRAPFIFG-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H]1CN(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCS1 ZINC000247260481 139142878 /nfs/dbraw/zinc/14/28/78/139142878.db2.gz FHGCXKIRSZIUDG-HOTGVXAUSA-N 2 0 343.537 1.287 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000247286993 139143497 /nfs/dbraw/zinc/14/34/97/139143497.db2.gz DPROBOSUCZAJSJ-BBWFWOEESA-N 2 0 340.512 1.467 20 0 EDADRP C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247483981 139150128 /nfs/dbraw/zinc/15/01/28/139150128.db2.gz KGZTUVATMUUAJX-HZPDHXFCSA-N 2 0 340.512 1.110 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@@H](C[NH+](C)C)C3)c2cc1C ZINC000247543069 139151849 /nfs/dbraw/zinc/15/18/49/139151849.db2.gz YPCGIEMWRVFKBW-DLBZAZTESA-N 2 0 330.476 1.898 20 0 EDADRP CC[C@]1(C)CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247692960 139154190 /nfs/dbraw/zinc/15/41/90/139154190.db2.gz WEJPJKLKERFRGX-PKOBYXMFSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)c1 ZINC000415391071 304212086 /nfs/dbraw/zinc/21/20/86/304212086.db2.gz LBVZNQHYIYLYNS-KRWDZBQOSA-N 2 0 340.427 1.503 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)nn1 ZINC000568878439 306491701 /nfs/dbraw/zinc/49/17/01/306491701.db2.gz UKWVJTXLQSTLIB-HNNXBMFYSA-N 2 0 334.468 1.108 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000261609922 139210752 /nfs/dbraw/zinc/21/07/52/139210752.db2.gz DMXCIUULQGLVLD-OAHLLOKOSA-N 2 0 328.416 1.629 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261731082 139221478 /nfs/dbraw/zinc/22/14/78/139221478.db2.gz KWIFHMKZAJPODE-CZUORRHYSA-N 2 0 332.448 1.890 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)O1 ZINC000261735039 139221725 /nfs/dbraw/zinc/22/17/25/139221725.db2.gz KBSXNHKSBBLSPW-MPTQWLOMSA-N 2 0 339.386 1.033 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261779425 139225298 /nfs/dbraw/zinc/22/52/98/139225298.db2.gz PFBUHIFTONSFMA-XHDPSFHLSA-N 2 0 340.265 1.691 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261812239 139228083 /nfs/dbraw/zinc/22/80/83/139228083.db2.gz LYEUWAVYVTWQSV-QZTJIDSGSA-N 2 0 344.503 1.703 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[NH+](C)C)c1 ZINC000261862519 139232240 /nfs/dbraw/zinc/23/22/40/139232240.db2.gz SIZFLFDCNNIWNN-SJORKVTESA-N 2 0 335.448 1.168 20 0 EDADRP [NH3+]C1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CCOCC1 ZINC000261851656 139231563 /nfs/dbraw/zinc/23/15/63/139231563.db2.gz MLEKUTATQREFLY-UHFFFAOYSA-N 2 0 337.489 1.584 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000261889836 139234452 /nfs/dbraw/zinc/23/44/52/139234452.db2.gz VCIVCFZKXGNKQB-GXTWGEPZSA-N 2 0 326.238 1.477 20 0 EDADRP C[C@]([NH3+])(C(=O)NC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000261953648 139239714 /nfs/dbraw/zinc/23/97/14/139239714.db2.gz IDNFVOJMSOFHHV-CQSZACIVSA-N 2 0 326.238 1.491 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000261965087 139240343 /nfs/dbraw/zinc/24/03/43/139240343.db2.gz ARYILNOYDPAKMS-MRXNPFEDSA-N 2 0 347.459 1.264 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000261973997 139241066 /nfs/dbraw/zinc/24/10/66/139241066.db2.gz NIBGFGZQJRWYBG-ABAIWWIYSA-N 2 0 340.265 1.739 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415491315 304224994 /nfs/dbraw/zinc/22/49/94/304224994.db2.gz DFDSLMNHNGGVSD-NVXWUHKLSA-N 2 0 346.475 1.808 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414957896 250901356 /nfs/dbraw/zinc/90/13/56/250901356.db2.gz CDAHNPKZZNLSSI-FUHWJXTLSA-N 2 0 346.475 1.417 20 0 EDADRP O=C(CC[NH+]1CCC(Cc2ccccc2F)CC1)N1CC[NH2+]CC1 ZINC000262187639 139258407 /nfs/dbraw/zinc/25/84/07/139258407.db2.gz RJFQFWGDSVDGDB-UHFFFAOYSA-N 2 0 333.451 1.902 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262204210 139259731 /nfs/dbraw/zinc/25/97/31/139259731.db2.gz IJXMFOFSPDVXBS-UHFFFAOYSA-N 2 0 333.476 1.900 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)Nc1cnc3c(c1)C[C@@H]([NH3+])CC3)C2 ZINC000262306955 139268633 /nfs/dbraw/zinc/26/86/33/139268633.db2.gz CHVCIUQCZCDHCS-MTEDZPEMSA-N 2 0 328.460 1.990 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)c1cccc(F)c1 ZINC000416832734 251112084 /nfs/dbraw/zinc/11/20/84/251112084.db2.gz ITEZJNDYOSZJPG-ZMSDIMECSA-N 2 0 334.439 1.679 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(F)F ZINC000416830530 251112788 /nfs/dbraw/zinc/11/27/88/251112788.db2.gz ONFSCGWFLZFSEA-VXGBXAGGSA-N 2 0 330.379 1.698 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417010770 251130088 /nfs/dbraw/zinc/13/00/88/251130088.db2.gz QIMLBMZRHDZEBU-LJQANCHMSA-N 2 0 328.460 1.440 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417016409 251135080 /nfs/dbraw/zinc/13/50/80/251135080.db2.gz GDEIDGXELJTXKS-FGTMMUONSA-N 2 0 328.460 1.684 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417023376 251136265 /nfs/dbraw/zinc/13/62/65/251136265.db2.gz PJSRUYUHWKRLJD-MRXNPFEDSA-N 2 0 333.480 1.093 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000417086311 251141129 /nfs/dbraw/zinc/14/11/29/251141129.db2.gz FAHKJDRVKUVOHM-HUUCEWRRSA-N 2 0 340.418 1.933 20 0 EDADRP C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)C[NH+]1CCCCC1 ZINC000417172575 251144338 /nfs/dbraw/zinc/14/43/38/251144338.db2.gz FTLBQROUTXJYIP-MRXNPFEDSA-N 2 0 340.512 1.648 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccco1 ZINC000417307369 251153126 /nfs/dbraw/zinc/15/31/26/251153126.db2.gz HCBBMYUBHBDPMR-CABCVRRESA-N 2 0 338.452 1.422 20 0 EDADRP COCC1(CNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000417317212 251155626 /nfs/dbraw/zinc/15/56/26/251155626.db2.gz WBXKTHXWJMHYRI-INIZCTEOSA-N 2 0 340.512 1.422 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)[NH+](C)C)cc1 ZINC000417318141 251157190 /nfs/dbraw/zinc/15/71/90/251157190.db2.gz YAYKDZFBJUHPDK-KSZLIROESA-N 2 0 330.476 1.849 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000417494120 251179709 /nfs/dbraw/zinc/17/97/09/251179709.db2.gz OYIOWZUGQHBRBL-INMHGKMJSA-N 2 0 336.480 1.731 20 0 EDADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400657 139276311 /nfs/dbraw/zinc/27/63/11/139276311.db2.gz OEIWTJFHIPASRM-RBUKOAKNSA-N 2 0 345.487 1.790 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000417664202 251219565 /nfs/dbraw/zinc/21/95/65/251219565.db2.gz BBJBTGBFPCSFKV-HZPDHXFCSA-N 2 0 342.528 1.940 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@H](C)C1 ZINC000417667835 251220869 /nfs/dbraw/zinc/22/08/69/251220869.db2.gz HPEHEILUNDCSQY-NCOADZHNSA-N 2 0 340.512 1.502 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000417669582 251221267 /nfs/dbraw/zinc/22/12/67/251221267.db2.gz LXGWSOLOFODBFZ-VXLLPVPCSA-N 2 0 340.512 1.693 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000417730694 251247270 /nfs/dbraw/zinc/24/72/70/251247270.db2.gz DWFHQQROAQVIFV-OAHLLOKOSA-N 2 0 330.476 1.337 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000417740814 251250984 /nfs/dbraw/zinc/25/09/84/251250984.db2.gz SMMYNHKHJGXUDE-IBGZPJMESA-N 2 0 342.487 1.481 20 0 EDADRP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000417828300 251285638 /nfs/dbraw/zinc/28/56/38/251285638.db2.gz FCODTLJICKIXEW-NSHDSACASA-N 2 0 346.460 1.662 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000417825715 251286619 /nfs/dbraw/zinc/28/66/19/251286619.db2.gz NJVDLUZCEBZRLC-CVEARBPZSA-N 2 0 334.439 1.508 20 0 EDADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@H]1CCC[NH2+]C1 ZINC000417837171 251291892 /nfs/dbraw/zinc/29/18/92/251291892.db2.gz XMJSRWOVCNHZIH-HOCLYGCPSA-N 2 0 336.455 1.945 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CCSC1 ZINC000417842799 251293935 /nfs/dbraw/zinc/29/39/35/251293935.db2.gz YMHZYAQNSNJEMU-VYDXJSESSA-N 2 0 340.537 1.455 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417792983 251273339 /nfs/dbraw/zinc/27/33/39/251273339.db2.gz LCKBKNRCAURIIY-BRSBDYLESA-N 2 0 334.508 1.938 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000417803424 251277218 /nfs/dbraw/zinc/27/72/18/251277218.db2.gz FPDFJWIYNMIHIH-GDBMZVCRSA-N 2 0 326.485 1.173 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000417811153 251278466 /nfs/dbraw/zinc/27/84/66/251278466.db2.gz OGXMIPDLODJFSF-HUUCEWRRSA-N 2 0 326.485 1.268 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000417816015 251280995 /nfs/dbraw/zinc/28/09/95/251280995.db2.gz BXFKSCGIZIHUCR-MRXNPFEDSA-N 2 0 336.455 1.899 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000417816140 251281338 /nfs/dbraw/zinc/28/13/38/251281338.db2.gz UFGAWMOAZKANOT-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417875276 251308669 /nfs/dbraw/zinc/30/86/69/251308669.db2.gz NYAQBLKCKUNBSI-WMLDXEAASA-N 2 0 331.464 1.343 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944400 251317615 /nfs/dbraw/zinc/31/76/15/251317615.db2.gz CHSXLXMDIIZBHU-KMUNFCNLSA-N 2 0 326.391 1.747 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418079446 251321166 /nfs/dbraw/zinc/32/11/66/251321166.db2.gz YFRYXVOCERAYPG-QGZVFWFLSA-N 2 0 334.464 1.186 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418110030 251324332 /nfs/dbraw/zinc/32/43/32/251324332.db2.gz VUJRFBSDADKAQI-QZTJIDSGSA-N 2 0 330.476 1.759 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)NCC(C)(C)[NH3+] ZINC000418422275 251366952 /nfs/dbraw/zinc/36/69/52/251366952.db2.gz DJIBEHZMSXRMNG-UHFFFAOYSA-N 2 0 347.507 1.183 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418198928 251354741 /nfs/dbraw/zinc/35/47/41/251354741.db2.gz WCFIFUVMPBHHRS-ZBFHGGJFSA-N 2 0 349.479 1.352 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418709837 251391956 /nfs/dbraw/zinc/39/19/56/251391956.db2.gz VEFVPZIPYBZOHY-RYUDHWBXSA-N 2 0 328.407 1.774 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)CCCC[NH3+])C[C@@H]1CC ZINC000418716426 251395447 /nfs/dbraw/zinc/39/54/47/251395447.db2.gz YYJALJAVXGHWOR-HOTGVXAUSA-N 2 0 328.501 1.646 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1ncc(C(N)=O)cc1Cl ZINC000176668834 207249029 /nfs/dbraw/zinc/24/90/29/207249029.db2.gz IODNTCQBOLGLLW-UHFFFAOYSA-N 2 0 341.887 1.544 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000262623436 139290870 /nfs/dbraw/zinc/29/08/70/139290870.db2.gz ADDBUPJHOJIVJM-IBGZPJMESA-N 2 0 338.455 1.732 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000262632359 139291524 /nfs/dbraw/zinc/29/15/24/139291524.db2.gz FYXFUTXTQFLMBU-GOSISDBHSA-N 2 0 346.519 1.814 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262633308 139291785 /nfs/dbraw/zinc/29/17/85/139291785.db2.gz GEWYVGTXJWZDKS-UHFFFAOYSA-N 2 0 330.476 1.050 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262655695 139293519 /nfs/dbraw/zinc/29/35/19/139293519.db2.gz CRANGMXIXSBPHH-HQSKLWIPSA-N 2 0 337.508 1.866 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000420334455 251678853 /nfs/dbraw/zinc/67/88/53/251678853.db2.gz OJZIUPUJKQWYCL-AEFFLSMTSA-N 2 0 335.423 1.983 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000415593018 304235057 /nfs/dbraw/zinc/23/50/57/304235057.db2.gz JALUEEVKIMUBOB-ARFHVFGLSA-N 2 0 344.459 1.191 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262800300 139304620 /nfs/dbraw/zinc/30/46/20/139304620.db2.gz NYIFKLLBEKEVLG-MRXNPFEDSA-N 2 0 333.480 1.804 20 0 EDADRP CC[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000422228647 251909180 /nfs/dbraw/zinc/90/91/80/251909180.db2.gz AMPGWHMYSLPDHD-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP O=C(C1CCCCC1)N1CCN(CC[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000422708876 251958328 /nfs/dbraw/zinc/95/83/28/251958328.db2.gz CHIOAYLZHHRAGU-SFHVURJKSA-N 2 0 336.524 1.443 20 0 EDADRP COc1ccc([C@@H](C[NH2+]C2CCC([NH3+])CC2)N2CCOCC2)cc1 ZINC000422766921 251971708 /nfs/dbraw/zinc/97/17/08/251971708.db2.gz RMYUIANIRWXXAD-FAFZWHIHSA-N 2 0 333.476 1.928 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902280 252016769 /nfs/dbraw/zinc/01/67/69/252016769.db2.gz MPUXAODWFXYPGI-ZOBUZTSGSA-N 2 0 347.459 1.418 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422852406 252000140 /nfs/dbraw/zinc/00/01/40/252000140.db2.gz AJEGNJVVQZEMCH-UHTWSYAYSA-N 2 0 333.354 1.865 20 0 EDADRP COc1cc(NCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc(OC)c1 ZINC000423006822 252024514 /nfs/dbraw/zinc/02/45/14/252024514.db2.gz WNKJEMFLIMCKGI-IPMKNSEASA-N 2 0 349.475 1.862 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(C)nn(C)c2OC)CC[NH2+]CC1 ZINC000423056881 252028692 /nfs/dbraw/zinc/02/86/92/252028692.db2.gz YXGCVZWJTQMVKA-ZDUSSCGKSA-N 2 0 338.452 1.148 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150717 252037965 /nfs/dbraw/zinc/03/79/65/252037965.db2.gz BZRBATNATOVOIB-QWRGUYRKSA-N 2 0 345.256 1.937 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423174668 252043019 /nfs/dbraw/zinc/04/30/19/252043019.db2.gz BTRNIYJWKUPSEZ-CQSZACIVSA-N 2 0 348.882 1.867 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCNCC2(F)F)cc1 ZINC000423484427 252055443 /nfs/dbraw/zinc/05/54/43/252055443.db2.gz SQACHNJMWYSTCO-DGCLKSJQSA-N 2 0 347.431 1.490 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423840054 252087153 /nfs/dbraw/zinc/08/71/53/252087153.db2.gz YNBIHWREIQDVRH-KCPJHIHWSA-N 2 0 325.815 1.950 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423959806 252108510 /nfs/dbraw/zinc/10/85/10/252108510.db2.gz XTJHDQZQSPHEQU-FOIPXRHGSA-N 2 0 336.524 1.617 20 0 EDADRP C[C@H]1C[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000424020510 252115903 /nfs/dbraw/zinc/11/59/03/252115903.db2.gz PDQJJRWPEUCIFG-FUHWJXTLSA-N 2 0 345.487 1.911 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423791828 252076025 /nfs/dbraw/zinc/07/60/25/252076025.db2.gz HMBCSWUGJKTNHI-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143888 252141052 /nfs/dbraw/zinc/14/10/52/252141052.db2.gz GTOQAYDZASECCP-HZPDHXFCSA-N 2 0 347.507 1.737 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000424149230 252146106 /nfs/dbraw/zinc/14/61/06/252146106.db2.gz VYTRIKJNIOINKB-ILXRZTDVSA-N 2 0 333.480 1.442 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424171355 252153003 /nfs/dbraw/zinc/15/30/03/252153003.db2.gz KQPCKRDVANYADB-KGLIPLIRSA-N 2 0 329.366 1.943 20 0 EDADRP [NH3+]Cc1cc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)ccn1 ZINC000424218709 252167571 /nfs/dbraw/zinc/16/75/71/252167571.db2.gz WIYWBYJLWYMDRV-PKOBYXMFSA-N 2 0 336.439 1.887 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228223 252171778 /nfs/dbraw/zinc/17/17/78/252171778.db2.gz WFYKFDBUXYFWRI-ZIAGYGMSSA-N 2 0 331.464 1.523 20 0 EDADRP c1c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)onc1C1CC[NH2+]CC1 ZINC000425901791 252313273 /nfs/dbraw/zinc/31/32/73/252313273.db2.gz QKVYIGAOCUXIKA-OAHLLOKOSA-N 2 0 342.447 1.690 20 0 EDADRP C[C@@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000263066602 139320579 /nfs/dbraw/zinc/32/05/79/139320579.db2.gz YZGZZFAXVZKXCW-UONOGXRCSA-N 2 0 332.448 1.339 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246578826 285022898 /nfs/dbraw/zinc/02/28/98/285022898.db2.gz CDCWZCNULFOUIB-BBWFWOEESA-N 2 0 338.496 1.223 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1C[NH+](C)C ZINC000415754672 304265977 /nfs/dbraw/zinc/26/59/77/304265977.db2.gz ZSJPHRFVWNSAOO-GOEBONIOSA-N 2 0 344.459 1.063 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000487275037 255028828 /nfs/dbraw/zinc/02/88/28/255028828.db2.gz YQVBGWWCWOMGPH-UBDQQSCGSA-N 2 0 330.476 1.731 20 0 EDADRP CN(C[C@@](C)(O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000496425258 255392303 /nfs/dbraw/zinc/39/23/03/255392303.db2.gz OVHYVRDOQPNCNA-QAPCUYQASA-N 2 0 343.512 1.878 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000264281771 139393108 /nfs/dbraw/zinc/39/31/08/139393108.db2.gz HKZXFBQJWDTYRF-AWEZNQCLSA-N 2 0 337.439 1.789 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000571402231 306564364 /nfs/dbraw/zinc/56/43/64/306564364.db2.gz GRGXHSASRNTCQN-RIXVAJLNSA-N 2 0 349.519 1.789 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCC2 ZINC000571642515 306571123 /nfs/dbraw/zinc/57/11/23/306571123.db2.gz VNGZPANMHVAGRL-SFHVURJKSA-N 2 0 345.468 1.960 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000270943675 140204350 /nfs/dbraw/zinc/20/43/50/140204350.db2.gz MZLZFALQOZEXOD-HNNXBMFYSA-N 2 0 335.448 1.534 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](NC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000271398695 140290577 /nfs/dbraw/zinc/29/05/77/140290577.db2.gz VHOBVTXUSXGLIK-MRXNPFEDSA-N 2 0 345.491 1.460 20 0 EDADRP CS[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000271782794 140349370 /nfs/dbraw/zinc/34/93/70/140349370.db2.gz KDRQRCOKEQRROO-CHWSQXEVSA-N 2 0 327.519 1.927 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000333466936 141321965 /nfs/dbraw/zinc/32/19/65/141321965.db2.gz ACACAXNPXMQJFX-XXQMMXQMSA-N 2 0 342.487 1.886 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000333521245 141331064 /nfs/dbraw/zinc/33/10/64/141331064.db2.gz GRPAADYLNCAEOR-FUHWJXTLSA-N 2 0 343.475 1.691 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@H]1C ZINC000333526070 141331801 /nfs/dbraw/zinc/33/18/01/141331801.db2.gz HGOSXBRJEMXYAM-CABCVRRESA-N 2 0 331.464 1.690 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000333796916 141383496 /nfs/dbraw/zinc/38/34/96/141383496.db2.gz HDQIBXKPIICALS-WMLDXEAASA-N 2 0 338.496 1.399 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333799412 141384121 /nfs/dbraw/zinc/38/41/21/141384121.db2.gz HMYWFSTZONNXPS-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000339610820 142092837 /nfs/dbraw/zinc/09/28/37/142092837.db2.gz HMXJDIXEAUSIHD-HOTGVXAUSA-N 2 0 340.512 1.066 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341054486 142554716 /nfs/dbraw/zinc/55/47/16/142554716.db2.gz PQJBGGYFKLWKJR-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114246 142687510 /nfs/dbraw/zinc/68/75/10/142687510.db2.gz BZJPGXGTVXCLGF-WDSOQIARSA-N 2 0 345.487 1.973 20 0 EDADRP COC1(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)CC[NH2+]CC1 ZINC000370773885 292091673 /nfs/dbraw/zinc/09/16/73/292091673.db2.gz PQEZPPKNUZFTRW-RCCFBDPRSA-N 2 0 343.471 1.516 20 0 EDADRP C[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000345010409 143038940 /nfs/dbraw/zinc/03/89/40/143038940.db2.gz NZGNKSJOOISXMX-OAGGEKHMSA-N 2 0 325.497 1.553 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(O)cc1 ZINC000345235128 143067846 /nfs/dbraw/zinc/06/78/46/143067846.db2.gz XLMKWZQWYSYHII-MRXNPFEDSA-N 2 0 349.475 1.646 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000345506785 143099557 /nfs/dbraw/zinc/09/95/57/143099557.db2.gz AJAFMGXUFQKJOG-GOSISDBHSA-N 2 0 340.427 1.698 20 0 EDADRP COc1cc(CNC(=O)[C@H]([NH3+])CC(F)F)ccc1OCC[NH+](C)C ZINC000345713631 143124641 /nfs/dbraw/zinc/12/46/41/143124641.db2.gz IKKIAXUBQMLBIP-GFCCVEGCSA-N 2 0 345.390 1.234 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000345782539 143132957 /nfs/dbraw/zinc/13/29/57/143132957.db2.gz YZSNIUGENUQWKW-KGLIPLIRSA-N 2 0 341.402 1.931 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC[C@H](C)C2)C1 ZINC000347042469 143275592 /nfs/dbraw/zinc/27/55/92/143275592.db2.gz LCFWXNCYFRNTKI-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1(C)C ZINC000347176532 143291288 /nfs/dbraw/zinc/29/12/88/143291288.db2.gz WHINKTAWIVAVPN-HRCADAONSA-N 2 0 327.513 1.872 20 0 EDADRP CC[N@@H+]1CC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414217 143318434 /nfs/dbraw/zinc/31/84/34/143318434.db2.gz FJQUPEMDWQLJDK-YZGWKJHDSA-N 2 0 331.504 1.943 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)[NH+](C)C1 ZINC000347582577 143337389 /nfs/dbraw/zinc/33/73/89/143337389.db2.gz FZPUZFPTSQCTQE-KLHDSHLOSA-N 2 0 326.485 1.076 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000348935943 143467926 /nfs/dbraw/zinc/46/79/26/143467926.db2.gz RAJAVPCWQQYHOR-KRWDZBQOSA-N 2 0 339.524 1.973 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000416840831 304350521 /nfs/dbraw/zinc/35/05/21/304350521.db2.gz GGSDAXRSPRKNDT-YJBOKZPZSA-N 2 0 346.475 1.741 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416842999 304351118 /nfs/dbraw/zinc/35/11/18/304351118.db2.gz OFLJBRRCFZBJFZ-FGTMMUONSA-N 2 0 328.460 1.512 20 0 EDADRP Cn1ccnc(N2CCC([NH2+]C3CC[NH+](C(C)(C)C)CC3)CC2)c1=O ZINC000369887651 155219830 /nfs/dbraw/zinc/21/98/30/155219830.db2.gz KTPWKMQLSCUORB-UHFFFAOYSA-N 2 0 347.507 1.602 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000424340877 292201207 /nfs/dbraw/zinc/20/12/07/292201207.db2.gz ZAQJYAPHIXAUMP-KRWDZBQOSA-N 2 0 335.492 1.780 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000416959979 304355131 /nfs/dbraw/zinc/35/51/31/304355131.db2.gz QIPTUZRSXUNUKO-IRXDYDNUSA-N 2 0 339.528 1.075 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416971825 304357774 /nfs/dbraw/zinc/35/77/74/304357774.db2.gz FCLIKGHUXUWPCI-GDBMZVCRSA-N 2 0 334.464 1.506 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2=CC[NH2+]CC2)c1 ZINC000416972331 304358054 /nfs/dbraw/zinc/35/80/54/304358054.db2.gz FZRRNJJYCVTGIF-UHFFFAOYSA-N 2 0 332.448 1.346 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCN1CCSCC1 ZINC000422713195 296626198 /nfs/dbraw/zinc/62/61/98/296626198.db2.gz OZRPOXAGCATGPL-WMZOPIPTSA-N 2 0 333.501 1.881 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000416975736 304359277 /nfs/dbraw/zinc/35/92/77/304359277.db2.gz ZUJGCASFCQCDPM-UHFFFAOYSA-N 2 0 346.475 1.736 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@H]2C1 ZINC000355341211 150223709 /nfs/dbraw/zinc/22/37/09/150223709.db2.gz VZLPRKFCFGCZKK-HOTGVXAUSA-N 2 0 328.416 1.198 20 0 EDADRP CC[C@@H](C)[C@H](OC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355458275 150276723 /nfs/dbraw/zinc/27/67/23/150276723.db2.gz PKMAMOFACZPZQZ-AEFFLSMTSA-N 2 0 348.491 1.771 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]CC3(C)CC[NH+](C)CC3)cn2)CC1 ZINC000355765653 150392254 /nfs/dbraw/zinc/39/22/54/150392254.db2.gz KGUMWYMPYLMOGC-UHFFFAOYSA-N 2 0 332.496 1.050 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000355777680 150396821 /nfs/dbraw/zinc/39/68/21/150396821.db2.gz SSANXKYTBFRZBU-UHFFFAOYSA-N 2 0 335.496 1.387 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000370000225 155274766 /nfs/dbraw/zinc/27/47/66/155274766.db2.gz XBYKTNLINLCYMZ-HNNXBMFYSA-N 2 0 336.480 1.143 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000417051195 304366727 /nfs/dbraw/zinc/36/67/27/304366727.db2.gz YZIALMPQTJUBLA-ZACQAIPSSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000357360601 151007438 /nfs/dbraw/zinc/00/74/38/151007438.db2.gz HCNXAUITENSUTG-AWEZNQCLSA-N 2 0 325.403 1.997 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358046477 151246482 /nfs/dbraw/zinc/24/64/82/151246482.db2.gz LCBNGIXBOMQCAJ-HNNXBMFYSA-N 2 0 346.475 1.126 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000422773564 286259076 /nfs/dbraw/zinc/25/90/76/286259076.db2.gz YRHSLHFFJVSDMN-NVXWUHKLSA-N 2 0 333.476 1.779 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H]1C ZINC000417119694 304374346 /nfs/dbraw/zinc/37/43/46/304374346.db2.gz UEEZWPLOYWFIDK-GJZGRUSLSA-N 2 0 340.537 1.740 20 0 EDADRP CC[NH+]1CCC([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000359919207 151860180 /nfs/dbraw/zinc/86/01/80/151860180.db2.gz SZUNQRCUZVXYJN-UHFFFAOYSA-N 2 0 336.480 1.705 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000360253543 151967340 /nfs/dbraw/zinc/96/73/40/151967340.db2.gz ZMCJKRSTOMQORP-INIZCTEOSA-N 2 0 326.510 1.350 20 0 EDADRP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)C[NH+]1CCCC1 ZINC000360397974 152021476 /nfs/dbraw/zinc/02/14/76/152021476.db2.gz QCJKTWMTLXSEIX-GOEBONIOSA-N 2 0 328.526 1.455 20 0 EDADRP Cn1cc([C@@H]2[C@H](CNC(=O)NCC[N@H+](C)C3CC3)CCC[NH+]2C)cn1 ZINC000361069017 152294660 /nfs/dbraw/zinc/29/46/60/152294660.db2.gz RROUABUNHDNYHZ-YOEHRIQHSA-N 2 0 348.495 1.196 20 0 EDADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1cncc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000342547019 297083426 /nfs/dbraw/zinc/08/34/26/297083426.db2.gz PXKOTDDJOSKJEY-SYMSYNOKSA-N 2 0 332.496 1.534 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417160191 304379041 /nfs/dbraw/zinc/37/90/41/304379041.db2.gz YCYILUHFYHLQGJ-QGZVFWFLSA-N 2 0 347.507 1.625 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)CC(C)C ZINC000362564292 152745475 /nfs/dbraw/zinc/74/54/75/152745475.db2.gz JJJUGZJYWXSXOF-LSDHHAIUSA-N 2 0 335.496 1.973 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCc1nnc(C2CC2)n1C ZINC000363707383 153035320 /nfs/dbraw/zinc/03/53/20/153035320.db2.gz QIVCYQIRILQUKE-BMFZPTHFSA-N 2 0 333.480 1.672 20 0 EDADRP C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708465 153035524 /nfs/dbraw/zinc/03/55/24/153035524.db2.gz SUEYGCZZJQITGS-YHUYYLMFSA-N 2 0 347.463 1.283 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000417194905 304383042 /nfs/dbraw/zinc/38/30/42/304383042.db2.gz NKEMMUVPICYDMP-OKYOBFRVSA-N 2 0 344.503 1.928 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000364563416 153272194 /nfs/dbraw/zinc/27/21/94/153272194.db2.gz IYKIBTZDQIXKCD-UHFFFAOYSA-N 2 0 344.459 1.036 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417198442 304383716 /nfs/dbraw/zinc/38/37/16/304383716.db2.gz RBWQJFIDLBRROL-LSDHHAIUSA-N 2 0 340.418 1.456 20 0 EDADRP COCC[NH2+]CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000417223732 304385406 /nfs/dbraw/zinc/38/54/06/304385406.db2.gz SRIAZKXDKVQVRH-HUUCEWRRSA-N 2 0 328.501 1.278 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000417234161 304386652 /nfs/dbraw/zinc/38/66/52/304386652.db2.gz UMHRIRFMQRCYJF-IRXDYDNUSA-N 2 0 334.464 1.266 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000366419579 153811020 /nfs/dbraw/zinc/81/10/20/153811020.db2.gz SOYKOAYAEDRGCO-OLZOCXBDSA-N 2 0 334.420 1.350 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000417293361 304389929 /nfs/dbraw/zinc/38/99/29/304389929.db2.gz JLQFILQZJGUVGT-MRXNPFEDSA-N 2 0 330.476 1.902 20 0 EDADRP CC[C@H](CSC)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367615576 154200694 /nfs/dbraw/zinc/20/06/94/154200694.db2.gz BGQZXPGELWHSPP-ZIAGYGMSSA-N 2 0 328.526 1.596 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccccc1F)C[C@H]1CCn2ccnc2C1 ZINC000367721376 154243778 /nfs/dbraw/zinc/24/37/78/154243778.db2.gz NYKIHPKRZIBEJN-LSDHHAIUSA-N 2 0 333.407 1.956 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417303904 304391928 /nfs/dbraw/zinc/39/19/28/304391928.db2.gz YPKRGYAICBYKLV-SFHVURJKSA-N 2 0 348.491 1.877 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000368071506 154396249 /nfs/dbraw/zinc/39/62/49/154396249.db2.gz UKBIAAWXKHDNLB-QGZVFWFLSA-N 2 0 337.489 1.643 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417345342 304393212 /nfs/dbraw/zinc/39/32/12/304393212.db2.gz UAOUGJRQBPAGKF-OXQOHEQNSA-N 2 0 342.487 1.828 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000369594417 155102635 /nfs/dbraw/zinc/10/26/35/155102635.db2.gz YIIMIIVAOCTNOE-UHFFFAOYSA-N 2 0 337.508 1.966 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000371871443 156146762 /nfs/dbraw/zinc/14/67/62/156146762.db2.gz ACCJFZIOYJWUPT-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP COCCC(C)(C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371894312 156156187 /nfs/dbraw/zinc/15/61/87/156156187.db2.gz PINVJTAJTSEENP-MRXNPFEDSA-N 2 0 325.497 1.676 20 0 EDADRP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000372038873 156220696 /nfs/dbraw/zinc/22/06/96/156220696.db2.gz XHZCIPXLTKNKHT-HNNXBMFYSA-N 2 0 344.459 1.214 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CC1 ZINC000372402512 156373056 /nfs/dbraw/zinc/37/30/56/156373056.db2.gz BQUJMUZQHOZPRI-HKUYNNGSSA-N 2 0 330.476 1.923 20 0 EDADRP C[N@@H+]1CCN(CCNC(=[NH2+])N[C@@H]2CCOc3ccccc32)CC1(C)C ZINC000374206784 157193676 /nfs/dbraw/zinc/19/36/76/157193676.db2.gz URJJRMFPTPNISL-MRXNPFEDSA-N 2 0 345.491 1.650 20 0 EDADRP C[C@H]1CN(Cc2ncc(Cl)n2C)CCN1C1CC[NH+](C)CC1 ZINC000374253131 157213208 /nfs/dbraw/zinc/21/32/08/157213208.db2.gz FBZYJIBJECWCBS-ZDUSSCGKSA-N 2 0 325.888 1.674 20 0 EDADRP Cc1nc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)no1 ZINC000374327775 157246531 /nfs/dbraw/zinc/24/65/31/157246531.db2.gz HIJQVHKYOKDRMK-QGZVFWFLSA-N 2 0 335.496 1.974 20 0 EDADRP COCCC[N@@H+]1CCCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374337213 157249592 /nfs/dbraw/zinc/24/95/92/157249592.db2.gz LPLCYQADBYLOOI-UHFFFAOYSA-N 2 0 340.556 1.447 20 0 EDADRP Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374430779 157288254 /nfs/dbraw/zinc/28/82/54/157288254.db2.gz UGDPECIVFONBAA-IZBJGVDFSA-N 2 0 348.487 1.918 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000375942330 157696032 /nfs/dbraw/zinc/69/60/32/157696032.db2.gz PEYATOSIKFHEGP-BQFCYCMXSA-N 2 0 328.497 1.595 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000377881404 158019006 /nfs/dbraw/zinc/01/90/06/158019006.db2.gz YQZXEEAVPGEYMW-YJBOKZPZSA-N 2 0 343.487 1.672 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000377996766 158051207 /nfs/dbraw/zinc/05/12/07/158051207.db2.gz JUTVDKLLRVDZQP-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@H](C)[C@H](O)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378305340 158134378 /nfs/dbraw/zinc/13/43/78/158134378.db2.gz BNHGRKGYOFYSAY-YJBOKZPZSA-N 2 0 339.524 1.706 20 0 EDADRP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)[NH+](C)C ZINC000378322082 158140743 /nfs/dbraw/zinc/14/07/43/158140743.db2.gz ZWIIVTNYXKESQM-YLFCFFPRSA-N 2 0 325.497 1.722 20 0 EDADRP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)[NH+](C)C ZINC000378322080 158140780 /nfs/dbraw/zinc/14/07/80/158140780.db2.gz ZWIIVTNYXKESQM-QBPKDAKJSA-N 2 0 325.497 1.722 20 0 EDADRP CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000417949261 304436482 /nfs/dbraw/zinc/43/64/82/304436482.db2.gz KCYLQVMAIDYDRM-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352442443 162183710 /nfs/dbraw/zinc/18/37/10/162183710.db2.gz QJFDZLIQEFFWDB-UHFFFAOYSA-N 2 0 329.439 1.511 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NCC(F)(F)F ZINC000364459073 162329736 /nfs/dbraw/zinc/32/97/36/162329736.db2.gz QHTSLDPFJOSZBW-FRRDWIJNSA-N 2 0 337.386 1.144 20 0 EDADRP CCCCOC[C@@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000365171899 162350553 /nfs/dbraw/zinc/35/05/53/162350553.db2.gz SMRSYZJTFJYDOV-ROUUACIJSA-N 2 0 327.513 1.264 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000353873686 296888176 /nfs/dbraw/zinc/88/81/76/296888176.db2.gz WRGJUBWBJOSCLE-QRQLOZEOSA-N 2 0 348.535 1.345 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000074100628 287267553 /nfs/dbraw/zinc/26/75/53/287267553.db2.gz SDCNMDYKROYYSE-GDBMZVCRSA-N 2 0 326.485 1.221 20 0 EDADRP CC(C)[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCN(C)CC1 ZINC000075182236 287275903 /nfs/dbraw/zinc/27/59/03/287275903.db2.gz JMCVADDLSDCNKP-IBGZPJMESA-N 2 0 346.519 1.750 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077591723 287288849 /nfs/dbraw/zinc/28/88/49/287288849.db2.gz KUIMKYKDFPFAFT-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](NC(=O)NCCCC[NH+]1CCN(C)CC1)C(C)(C)C[NH+](C)C ZINC000119379705 287352470 /nfs/dbraw/zinc/35/24/70/287352470.db2.gz QIDZUCMSAADJDN-INIZCTEOSA-N 2 0 341.544 1.290 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418329851 304481039 /nfs/dbraw/zinc/48/10/39/304481039.db2.gz BPIKEFQJUKYGJX-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000123540137 287388586 /nfs/dbraw/zinc/38/85/86/287388586.db2.gz CBEPTLKSMYWNNX-MSOLQXFVSA-N 2 0 328.497 1.597 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375702 304487789 /nfs/dbraw/zinc/48/77/89/304487789.db2.gz HULLSRPOJDNNRF-IAGOWNOFSA-N 2 0 340.512 1.286 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000418388615 304489591 /nfs/dbraw/zinc/48/95/91/304489591.db2.gz QIUUCYLDLQVYEA-QGZVFWFLSA-N 2 0 339.528 1.170 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000130637660 287496329 /nfs/dbraw/zinc/49/63/29/287496329.db2.gz BVSGXOIKDKQTEU-INIZCTEOSA-N 2 0 331.460 1.829 20 0 EDADRP CCN(C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663653134 452394261 /nfs/dbraw/zinc/39/42/61/452394261.db2.gz AXYQHCVRKXRIMW-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000238012950 273013535 /nfs/dbraw/zinc/01/35/35/273013535.db2.gz MPWAMJJQTDRWME-SJLPKXTDSA-N 2 0 331.460 1.300 20 0 EDADRP [NH3+]CC1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000238049092 273013970 /nfs/dbraw/zinc/01/39/70/273013970.db2.gz XOFIPRBCVPYFFI-UHFFFAOYSA-N 2 0 337.508 1.904 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000273004177 273024782 /nfs/dbraw/zinc/02/47/82/273024782.db2.gz ACDKGNJRCOWTDY-QGZVFWFLSA-N 2 0 345.487 1.867 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC2(C1)CCOCC2)c1ccccc1 ZINC000274681471 268182897 /nfs/dbraw/zinc/18/28/97/268182897.db2.gz XAEBTVOJBNGVRG-GOSISDBHSA-N 2 0 345.487 1.908 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000275466086 268346880 /nfs/dbraw/zinc/34/68/80/268346880.db2.gz WKWRKBAJXDSUEA-PBHICJAKSA-N 2 0 346.475 1.138 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274350473 273087137 /nfs/dbraw/zinc/08/71/37/273087137.db2.gz KKCVJXURINHIOQ-PKOBYXMFSA-N 2 0 331.504 1.943 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000277056957 273179150 /nfs/dbraw/zinc/17/91/50/273179150.db2.gz CVMBAMSIHXXUSP-QGZVFWFLSA-N 2 0 346.475 1.819 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)nc2)CC1 ZINC000284002236 274043946 /nfs/dbraw/zinc/04/39/46/274043946.db2.gz MPIFKRRMNSJFQH-UHFFFAOYSA-N 2 0 336.399 1.733 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284046145 274059986 /nfs/dbraw/zinc/05/99/86/274059986.db2.gz QFMGZUOGZGGQTP-GOSISDBHSA-N 2 0 341.459 1.576 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C)cc1 ZINC000285322510 274510799 /nfs/dbraw/zinc/51/07/99/274510799.db2.gz XACZEMHPNZBPCQ-RDJZCZTQSA-N 2 0 348.491 1.170 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000411465238 276359656 /nfs/dbraw/zinc/35/96/56/276359656.db2.gz WATFIZBBBUWCEF-XLIONFOSSA-N 2 0 345.487 1.954 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283285 277059028 /nfs/dbraw/zinc/05/90/28/277059028.db2.gz UIQZLKOVSDPLKT-SJORKVTESA-N 2 0 347.459 1.090 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CCC(=O)NC2)CC1 ZINC000356068545 277113637 /nfs/dbraw/zinc/11/36/37/277113637.db2.gz PEUJWANWWXDMAL-CYBMUJFWSA-N 2 0 336.867 1.460 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC1CC[NH+](C2CC2)CC1 ZINC000496301173 277198853 /nfs/dbraw/zinc/19/88/53/277198853.db2.gz DEJIIUURCCQIDJ-UHFFFAOYSA-N 2 0 339.484 1.499 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361720086 277229358 /nfs/dbraw/zinc/22/93/58/277229358.db2.gz XFRXVJFHNZQXLS-CZUORRHYSA-N 2 0 325.478 1.483 20 0 EDADRP COC[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000183423093 277596409 /nfs/dbraw/zinc/59/64/09/277596409.db2.gz HQJCTYSDTIZPMJ-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CC(CC[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411510544 278155940 /nfs/dbraw/zinc/15/59/40/278155940.db2.gz YXTOMPUKKUAMAW-GTYQWKCWSA-N 2 0 336.520 1.808 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000358588289 278185832 /nfs/dbraw/zinc/18/58/32/278185832.db2.gz GYVZTSJKWLDYBT-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000362768966 278282002 /nfs/dbraw/zinc/28/20/02/278282002.db2.gz INIFODHVBOMXLN-INIZCTEOSA-N 2 0 332.492 1.362 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936909 279356382 /nfs/dbraw/zinc/35/63/82/279356382.db2.gz IDRLJQHYNVWCMK-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000360125031 279373839 /nfs/dbraw/zinc/37/38/39/279373839.db2.gz NFEFZGNRROJPRQ-HOTGVXAUSA-N 2 0 342.528 1.449 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000362564589 280167394 /nfs/dbraw/zinc/16/73/94/280167394.db2.gz MFQVMUNDXUKVBE-LSDHHAIUSA-N 2 0 331.464 1.577 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000345357906 288262734 /nfs/dbraw/zinc/26/27/34/288262734.db2.gz VOFVHEOQFDOUAW-CVEARBPZSA-N 2 0 328.501 1.203 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353537169 281247989 /nfs/dbraw/zinc/24/79/89/281247989.db2.gz WOJBMAQUPFPDIX-IAGOWNOFSA-N 2 0 336.524 1.441 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000288577806 288518861 /nfs/dbraw/zinc/51/88/61/288518861.db2.gz IDFBWMZRVUQHJH-HNNXBMFYSA-N 2 0 346.431 1.422 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370164955 288716584 /nfs/dbraw/zinc/71/65/84/288716584.db2.gz UHRUMLQJIPAYMS-OAGGEKHMSA-N 2 0 345.491 1.501 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c[nH]c2nccnc12 ZINC000291585638 289114753 /nfs/dbraw/zinc/11/47/53/289114753.db2.gz PHVPDQCCMSRLNI-MRXNPFEDSA-N 2 0 330.480 1.806 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000291670326 289144547 /nfs/dbraw/zinc/14/45/47/289144547.db2.gz BEDBIWYCXPFFNM-AOIWGVFYSA-N 2 0 345.487 1.734 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000292030669 289243626 /nfs/dbraw/zinc/24/36/26/289243626.db2.gz GTNZYINUMSVZOU-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000292092731 289259011 /nfs/dbraw/zinc/25/90/11/289259011.db2.gz NMPAXIAJMXDHST-KRWDZBQOSA-N 2 0 330.476 1.905 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000420303303 289352307 /nfs/dbraw/zinc/35/23/07/289352307.db2.gz CRZBAZOUQKOTIB-FUHWJXTLSA-N 3 0 332.492 1.466 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C[NH+](C)C ZINC000293225639 289555173 /nfs/dbraw/zinc/55/51/73/289555173.db2.gz QGGATFPFDJYJJH-AWEZNQCLSA-N 2 0 334.464 1.043 20 0 EDADRP C[C@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1C[NH3+] ZINC000333507050 290543066 /nfs/dbraw/zinc/54/30/66/290543066.db2.gz INRLWKNEOHRNMO-RYNCQERQSA-N 2 0 334.508 1.766 20 0 EDADRP Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000354851090 294239061 /nfs/dbraw/zinc/23/90/61/294239061.db2.gz IKUQQVJYQDGUMI-XMTFNYHQSA-N 2 0 335.471 1.549 20 0 EDADRP COc1cc(CNC(=O)CC2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000165550680 294985286 /nfs/dbraw/zinc/98/52/86/294985286.db2.gz VASMQDUZFWJFTC-UHFFFAOYSA-N 2 0 349.475 1.642 20 0 EDADRP COc1cc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc(OC)c1OC ZINC000269062724 295023341 /nfs/dbraw/zinc/02/33/41/295023341.db2.gz UPWDULIQAUBRPV-ZDUSSCGKSA-N 2 0 338.448 1.820 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000418564825 304513422 /nfs/dbraw/zinc/51/34/22/304513422.db2.gz UYDYGAJEFPYUBP-XOKHGSTOSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000185433056 298583717 /nfs/dbraw/zinc/58/37/17/298583717.db2.gz BLBBKJDINFTJCN-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP O=C1CCCN1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756895 304626108 /nfs/dbraw/zinc/62/61/08/304626108.db2.gz CPLQHYUDIAUMSZ-LPHOPBHVSA-N 2 0 329.444 1.844 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419831289 304692479 /nfs/dbraw/zinc/69/24/79/304692479.db2.gz WYMKNBUYEANWMU-GJZGRUSLSA-N 2 0 338.496 1.095 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]21 ZINC000456169588 447314256 /nfs/dbraw/zinc/31/42/56/447314256.db2.gz PMQUNFDDSGUYRY-MJGOQNOKSA-N 2 0 342.487 1.361 20 0 EDADRP COc1cc(OC)cc(C(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420319948 304751239 /nfs/dbraw/zinc/75/12/39/304751239.db2.gz PQOZMZXOPNGSJF-OAHLLOKOSA-N 2 0 347.459 1.461 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293593140 302989276 /nfs/dbraw/zinc/98/92/76/302989276.db2.gz KMSGMVSRCANCBX-UHFFFAOYSA-N 2 0 333.432 1.342 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000294231958 303080873 /nfs/dbraw/zinc/08/08/73/303080873.db2.gz WWMDTPFAMAACRO-MRXNPFEDSA-N 2 0 325.432 1.596 20 0 EDADRP CC[C@H](CO)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000295624775 303243598 /nfs/dbraw/zinc/24/35/98/303243598.db2.gz FKPMXIAFWLRIFO-LJQANCHMSA-N 2 0 347.503 1.732 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(C(F)(F)F)s1 ZINC000420455420 303377659 /nfs/dbraw/zinc/37/76/59/303377659.db2.gz MEXQITLLZQSGST-UHFFFAOYSA-N 2 0 345.412 1.455 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297376538 303391427 /nfs/dbraw/zinc/39/14/27/303391427.db2.gz DVAAQOGITHKGNR-NVXWUHKLSA-N 2 0 327.432 1.960 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377740750 447330722 /nfs/dbraw/zinc/33/07/22/447330722.db2.gz DNZVEBWLOFKIRI-HOTGVXAUSA-N 2 0 331.464 1.269 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)n1 ZINC000377743055 447332300 /nfs/dbraw/zinc/33/23/00/447332300.db2.gz LHEHCHVZVLBLHZ-MRXNPFEDSA-N 2 0 325.432 1.596 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1)C(C)C ZINC000419670633 447336533 /nfs/dbraw/zinc/33/65/33/447336533.db2.gz XESVDAPMWZNLMB-HNNXBMFYSA-N 2 0 340.512 1.197 20 0 EDADRP CO[C@@]1(C)C[C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795917 303915390 /nfs/dbraw/zinc/91/53/90/303915390.db2.gz KBIYJSHXSDPVTH-YJBOKZPZSA-N 2 0 325.497 1.769 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000414882961 447342037 /nfs/dbraw/zinc/34/20/37/447342037.db2.gz NBSJMKBIZSBPTI-OAHLLOKOSA-N 2 0 330.432 1.088 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCN1CCSCC1 ZINC000422713192 304858652 /nfs/dbraw/zinc/85/86/52/304858652.db2.gz OZRPOXAGCATGPL-AEFFLSMTSA-N 2 0 333.501 1.881 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422743811 304879606 /nfs/dbraw/zinc/87/96/06/304879606.db2.gz UVWNYOCHHRJVTF-JTQLQIEISA-N 2 0 326.238 1.376 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCC(=O)NC23CCC3)CC[NH2+]CC1 ZINC000423105194 304886340 /nfs/dbraw/zinc/88/63/40/304886340.db2.gz CESUWGWGHRKEHC-ZIAGYGMSSA-N 2 0 337.464 1.099 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N(C)CCC[NH2+]C ZINC000423249830 304890592 /nfs/dbraw/zinc/89/05/92/304890592.db2.gz UHBGXYOAUNWQNV-UHFFFAOYSA-N 2 0 348.491 1.165 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[NH+]1CCCC1 ZINC000423312356 304892244 /nfs/dbraw/zinc/89/22/44/304892244.db2.gz UYYBSCVFNCKNFF-OGWOLHLISA-N 2 0 329.444 1.700 20 0 EDADRP C[NH2+]CCCN(C)C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000424016971 304925374 /nfs/dbraw/zinc/92/53/74/304925374.db2.gz DWCKKNHERUWYIO-AWEZNQCLSA-N 2 0 328.254 1.691 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000424453262 304929965 /nfs/dbraw/zinc/92/99/65/304929965.db2.gz KAWHZZMOHISNBZ-ZDUSSCGKSA-N 2 0 334.464 1.485 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000427880108 305000101 /nfs/dbraw/zinc/00/01/01/305000101.db2.gz ZNIOGPBGOYJHIH-MRXNPFEDSA-N 2 0 347.507 1.684 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1cc(CN(C)C)on1 ZINC000427941093 305001716 /nfs/dbraw/zinc/00/17/16/305001716.db2.gz YZGPXKFQUSAEOQ-ZDUSSCGKSA-N 2 0 336.436 1.062 20 0 EDADRP Cc1cccc(OCCCNC(=O)CN2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430569933 305056315 /nfs/dbraw/zinc/05/63/15/305056315.db2.gz YAPREMIRHOEVDV-SJORKVTESA-N 2 0 333.476 1.939 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H](C[NH3+])C2)cc1Cl ZINC000430623340 305059840 /nfs/dbraw/zinc/05/98/40/305059840.db2.gz MUKYRFLBYSHSRS-LLVKDONJSA-N 2 0 338.839 1.438 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3[NH2+]CCCC3(C)C)ccn2)CC1 ZINC000430716428 305063093 /nfs/dbraw/zinc/06/30/93/305063093.db2.gz CSYXITXHSUAUCO-MRXNPFEDSA-N 2 0 345.491 1.341 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2C[NH2+]C2)cc1 ZINC000430753562 305064137 /nfs/dbraw/zinc/06/41/37/305064137.db2.gz IYVPLCWDXDKXPT-OAHLLOKOSA-N 2 0 331.460 1.666 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000430936468 305069160 /nfs/dbraw/zinc/06/91/60/305069160.db2.gz YUVCJRTVYOQOOA-DLBZAZTESA-N 2 0 344.503 1.688 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCO[C@H]2CCCC[C@H]2C)CC1 ZINC000430944854 305069807 /nfs/dbraw/zinc/06/98/07/305069807.db2.gz VATVJDAKKGFOQP-VYDXJSESSA-N 2 0 325.497 1.757 20 0 EDADRP CC1CCN(C(=O)C2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)CC1 ZINC000431068705 305074260 /nfs/dbraw/zinc/07/42/60/305074260.db2.gz CZKYJGGTAOIQIB-UHFFFAOYSA-N 2 0 349.479 1.734 20 0 EDADRP CC(C)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C2CC2)no1 ZINC000433127702 305101279 /nfs/dbraw/zinc/10/12/79/305101279.db2.gz IYZJUTSABBLVRI-INIZCTEOSA-N 2 0 349.479 1.964 20 0 EDADRP CO[C@]1(C)C[C@@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433158549 305101874 /nfs/dbraw/zinc/10/18/74/305101874.db2.gz JYZPTKPWSCMQTI-CRAIPNDOSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433379991 305106925 /nfs/dbraw/zinc/10/69/25/305106925.db2.gz XRZMFXFZDKBMSL-HOTGVXAUSA-N 2 0 348.495 1.587 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000434682239 305127546 /nfs/dbraw/zinc/12/75/46/305127546.db2.gz BJJUHZYEQXQCDZ-INIZCTEOSA-N 2 0 338.540 1.769 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCOC3)CC2)C1 ZINC000438107982 305181470 /nfs/dbraw/zinc/18/14/70/305181470.db2.gz DXTLABCEILSXRK-QZTJIDSGSA-N 2 0 325.497 1.140 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438890910 305190829 /nfs/dbraw/zinc/19/08/29/305190829.db2.gz RJAQTLYUGXFOTL-YOEHRIQHSA-N 2 0 328.460 1.838 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000442144590 305226184 /nfs/dbraw/zinc/22/61/84/305226184.db2.gz IGPIPDKLUJEOMP-YOEHRIQHSA-N 2 0 346.475 1.328 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063823 305234402 /nfs/dbraw/zinc/23/44/02/305234402.db2.gz XGUNZRQVXXRRTE-KRWDZBQOSA-N 2 0 333.476 1.941 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000414898074 447349086 /nfs/dbraw/zinc/34/90/86/447349086.db2.gz FVZHOHOIAHMIKM-SJORKVTESA-N 2 0 344.459 1.430 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000446372862 305264005 /nfs/dbraw/zinc/26/40/05/305264005.db2.gz YDZYROPEDVKQKL-ZHEXZJMTSA-N 2 0 337.508 1.898 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000446493187 305265681 /nfs/dbraw/zinc/26/56/81/305265681.db2.gz NWNQQNRMOWFVKP-KRWDZBQOSA-N 2 0 340.512 1.520 20 0 EDADRP CC(C)[C@H](CNC(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCN(C)CC1 ZINC000446575225 305267189 /nfs/dbraw/zinc/26/71/89/305267189.db2.gz IRTVTRDMMWKYFK-INIZCTEOSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)cccc21 ZINC000447723988 305284475 /nfs/dbraw/zinc/28/44/75/305284475.db2.gz SMVOHRPLABVWEN-IAGOWNOFSA-N 2 0 344.459 1.400 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447719970 305284562 /nfs/dbraw/zinc/28/45/62/305284562.db2.gz AHIGIESYGYISFR-GOSISDBHSA-N 2 0 337.508 1.770 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)COC1CCC([NH3+])CC1 ZINC000449151724 305308126 /nfs/dbraw/zinc/30/81/26/305308126.db2.gz YISKDKIBZXNAHA-UHFFFAOYSA-N 2 0 339.505 1.925 20 0 EDADRP O=C(N1CC[C@H](C[NH+]2CCCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449359276 305312616 /nfs/dbraw/zinc/31/26/16/305312616.db2.gz GNSJORKJNFVFCI-XLIONFOSSA-N 2 0 327.472 1.862 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC1CCCC1 ZINC000451404109 305343975 /nfs/dbraw/zinc/34/39/75/305343975.db2.gz FVZMNKXSANSWKI-UHFFFAOYSA-N 2 0 345.553 1.854 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452067306 305381891 /nfs/dbraw/zinc/38/18/91/305381891.db2.gz IDCJJUYUBSSRNI-JFRXWTBNSA-N 2 0 345.487 1.468 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414906011 447351451 /nfs/dbraw/zinc/35/14/51/447351451.db2.gz OYMUKUUDGBQHDY-XJKSGUPXSA-N 2 0 332.448 1.588 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCC2 ZINC000448854210 447353790 /nfs/dbraw/zinc/35/37/90/447353790.db2.gz UCYVLTFLWQHSRD-HNNXBMFYSA-N 2 0 333.480 1.317 20 0 EDADRP C[NH+](C)CCC1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496135818 305660502 /nfs/dbraw/zinc/66/05/02/305660502.db2.gz DPNWXBKMZCKPNP-GOSISDBHSA-N 2 0 343.512 1.926 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)COCc1ccco1)N1CC[NH+](C)CC1 ZINC000517126452 305748139 /nfs/dbraw/zinc/74/81/39/305748139.db2.gz FHBICFQWPDHWFO-FUHWJXTLSA-N 2 0 339.480 1.019 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000517158683 305748710 /nfs/dbraw/zinc/74/87/10/305748710.db2.gz GDPKJLIRZKIBOI-AWEZNQCLSA-N 2 0 349.475 1.942 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000519827491 305776080 /nfs/dbraw/zinc/77/60/80/305776080.db2.gz UWYUVIDUOYUHHF-GASCZTMLSA-N 2 0 330.432 1.060 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000519829490 305776292 /nfs/dbraw/zinc/77/62/92/305776292.db2.gz WNRROUNIJIDGCZ-UHFFFAOYSA-N 2 0 331.464 1.552 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000521869725 305794106 /nfs/dbraw/zinc/79/41/06/305794106.db2.gz OBEHVDDOVYEQFK-AWEZNQCLSA-N 2 0 331.460 1.400 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000414945773 447367141 /nfs/dbraw/zinc/36/71/41/447367141.db2.gz SCRVZTKHAMUDBP-LRDDRELGSA-N 2 0 342.443 1.012 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2ccccn12 ZINC000535737814 306015716 /nfs/dbraw/zinc/01/57/16/306015716.db2.gz DOSCSEXNMJLXSM-UHFFFAOYSA-N 2 0 331.464 1.680 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)[C@H]2C[NH+]3CCN2CCC3)c1)C1CC1 ZINC000537168515 306026475 /nfs/dbraw/zinc/02/64/75/306026475.db2.gz XRCTVAJFNLFVMK-LJQANCHMSA-N 2 0 342.487 1.652 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000541519341 306046463 /nfs/dbraw/zinc/04/64/63/306046463.db2.gz LROVSLLPCVCPMK-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC1 ZINC000542784264 306058359 /nfs/dbraw/zinc/05/83/59/306058359.db2.gz AOFPKXSMTLJHKC-GOSISDBHSA-N 2 0 345.491 1.146 20 0 EDADRP CC(C)O[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000545944950 306087930 /nfs/dbraw/zinc/08/79/30/306087930.db2.gz BZAYUELCRKKKHL-CVEARBPZSA-N 2 0 342.528 1.713 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000547297988 306098033 /nfs/dbraw/zinc/09/80/33/306098033.db2.gz MQBGDPJHYXQXKM-LJQANCHMSA-N 2 0 346.475 1.148 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@H]1CCCC(C)(C)C1 ZINC000548785126 306138088 /nfs/dbraw/zinc/13/80/88/306138088.db2.gz BNGBGYDJPOIYTB-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000557139677 306224828 /nfs/dbraw/zinc/22/48/28/306224828.db2.gz NTMILMGYLPBXGU-QZTJIDSGSA-N 2 0 346.475 1.501 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000557222004 306226846 /nfs/dbraw/zinc/22/68/46/306226846.db2.gz RLLISACAYMJBHG-SOLBZPMBSA-N 2 0 328.460 1.514 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000557225885 306226975 /nfs/dbraw/zinc/22/69/75/306226975.db2.gz AMWKIYOUKRGNCJ-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000414947910 447369044 /nfs/dbraw/zinc/36/90/44/447369044.db2.gz LKWKSGXLMVXICW-HZPDHXFCSA-N 2 0 332.448 1.334 20 0 EDADRP COc1ccc(OC)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414966745 447377091 /nfs/dbraw/zinc/37/70/91/447377091.db2.gz DTYOUOUBCCVKOB-OAHLLOKOSA-N 2 0 347.381 1.630 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000414979913 447383743 /nfs/dbraw/zinc/38/37/43/447383743.db2.gz VEOIMOMYNKTBGF-ZGXWSNOMSA-N 2 0 328.504 1.390 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000414985027 447385473 /nfs/dbraw/zinc/38/54/73/447385473.db2.gz MSDLBSXIKJIMSI-RHSMWYFYSA-N 2 0 346.475 1.978 20 0 EDADRP CCOC1CC(C[NH2+]C[C@H]2CC[NH2+][C@@H](C)C2)(N2CCOCC2)C1 ZINC000415110326 447388766 /nfs/dbraw/zinc/38/87/66/447388766.db2.gz SMZJXJKFTQXEPL-VYMRPNJYSA-N 2 0 325.497 1.234 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000458506396 447394512 /nfs/dbraw/zinc/39/45/12/447394512.db2.gz LQBDNYGIWVJUFU-MRXNPFEDSA-N 2 0 328.526 1.597 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000378117973 447402451 /nfs/dbraw/zinc/40/24/51/447402451.db2.gz FEAZFQHOHVBGED-GVDBMIGSSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2CCCCC2)C1 ZINC000044714933 440877828 /nfs/dbraw/zinc/87/78/28/440877828.db2.gz WTWBXYLHMRRTPR-GOSISDBHSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000104102623 441189992 /nfs/dbraw/zinc/18/99/92/441189992.db2.gz OUYHRITXSDFEIR-UHFFFAOYSA-N 2 0 333.885 1.454 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000101978489 441164388 /nfs/dbraw/zinc/16/43/88/441164388.db2.gz ZGPKDNHZEYKIMP-GASCZTMLSA-N 2 0 326.485 1.269 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000105135016 441237133 /nfs/dbraw/zinc/23/71/33/441237133.db2.gz CCLGKHZUJJOJDK-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccs1 ZINC000060348654 441237759 /nfs/dbraw/zinc/23/77/59/441237759.db2.gz XDGBXXRUBQQLSW-CQSZACIVSA-N 2 0 345.534 1.785 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000378531037 447439397 /nfs/dbraw/zinc/43/93/97/447439397.db2.gz SQUXYFNHVYWELP-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000106514800 441348389 /nfs/dbraw/zinc/34/83/89/441348389.db2.gz BJWVGNCJEPRLLS-AWEZNQCLSA-N 2 0 339.528 1.231 20 0 EDADRP CCOc1c(Cl)cc(C[NH2+]CCN2CC[NH2+]CC2)cc1OC ZINC000106958509 441394439 /nfs/dbraw/zinc/39/44/39/441394439.db2.gz WKOBADYJVMSALX-UHFFFAOYSA-N 2 0 327.856 1.742 20 0 EDADRP CC1CCN(C(=O)C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000064344484 441374881 /nfs/dbraw/zinc/37/48/81/441374881.db2.gz OKJMLVLXBLMXKW-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961713 441605232 /nfs/dbraw/zinc/60/52/32/441605232.db2.gz XPWAVGKAMKTGGR-RBUKOAKNSA-N 2 0 345.487 1.470 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000055303638 441640599 /nfs/dbraw/zinc/64/05/99/441640599.db2.gz AXSFUBRYKYBTGP-UHFFFAOYSA-N 2 0 348.491 1.666 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCCCC1 ZINC000114416098 441655033 /nfs/dbraw/zinc/65/50/33/441655033.db2.gz VTWDGAGEKAJSDE-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCSC1 ZINC000136513555 441701869 /nfs/dbraw/zinc/70/18/69/441701869.db2.gz AFSPCXJCEYTKBF-KRWDZBQOSA-N 2 0 348.516 1.600 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@@H]2C[NH+](C)C)ccn1 ZINC000136920656 441731771 /nfs/dbraw/zinc/73/17/71/441731771.db2.gz RPNAGRGCABQMJE-MRXNPFEDSA-N 2 0 334.464 1.578 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000173408030 441737677 /nfs/dbraw/zinc/73/76/77/441737677.db2.gz DQTZMMAPRSYNMZ-SJORKVTESA-N 2 0 338.496 1.223 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000077549518 441804254 /nfs/dbraw/zinc/80/42/54/441804254.db2.gz LMDRZYRRSRRUDD-CALCHBBNSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077574883 441808274 /nfs/dbraw/zinc/80/82/74/441808274.db2.gz YLQDFHWUTAKGMN-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093135324 441859141 /nfs/dbraw/zinc/85/91/41/441859141.db2.gz QHVPDJLBAAEDIC-OAHLLOKOSA-N 2 0 333.480 1.937 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000173744334 441833493 /nfs/dbraw/zinc/83/34/93/441833493.db2.gz FKBDUHVSUUXLIN-DOTOQJQBSA-N 2 0 339.528 1.137 20 0 EDADRP [NH3+]C1(CNC(=O)CN2CCN(c3ccccn3)CC2)CCCCCC1 ZINC000122475098 441851197 /nfs/dbraw/zinc/85/11/97/441851197.db2.gz JCGADOXOKHCPGO-UHFFFAOYSA-N 2 0 345.491 1.372 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891259 441856916 /nfs/dbraw/zinc/85/69/16/441856916.db2.gz UICSJUIDFHHWQM-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH+](C)C)C3)cc2)CC1 ZINC000174852156 441975670 /nfs/dbraw/zinc/97/56/70/441975670.db2.gz GUMDOYGCNGMXFS-KRWDZBQOSA-N 2 0 344.503 1.852 20 0 EDADRP COc1ccncc1NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000119557732 441940046 /nfs/dbraw/zinc/94/00/46/441940046.db2.gz CNJGKTJTZRPTNJ-CQSZACIVSA-N 2 0 348.447 1.657 20 0 EDADRP COC(=O)C1CCN(C(=O)[C@@H](C)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000152373101 442204407 /nfs/dbraw/zinc/20/44/07/442204407.db2.gz KUCRWVOWUGPHSK-HUUCEWRRSA-N 2 0 339.480 1.060 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000166027680 442213575 /nfs/dbraw/zinc/21/35/75/442213575.db2.gz VKASFVGPXSFESC-ZSYWTGECSA-N 3 0 341.540 1.822 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000167793952 442222520 /nfs/dbraw/zinc/22/25/20/442222520.db2.gz QPJNIFVKMIVXQJ-QAPCUYQASA-N 2 0 331.460 1.707 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176563172 442234502 /nfs/dbraw/zinc/23/45/02/442234502.db2.gz CXRTUWLMYQZISU-IKGGRYGDSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[NH+](C)C ZINC000153096091 442261056 /nfs/dbraw/zinc/26/10/56/442261056.db2.gz PNQZIGMFUVPJCO-JFIYKMOQSA-N 2 0 339.524 1.920 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000171194301 442325626 /nfs/dbraw/zinc/32/56/26/442325626.db2.gz GQYCRQUNGNWZHD-QGZVFWFLSA-N 2 0 342.528 1.764 20 0 EDADRP CC(C)N(C(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1)C(C)C ZINC000129797532 442332102 /nfs/dbraw/zinc/33/21/02/442332102.db2.gz HGRVZDPIPFLGHJ-QGZVFWFLSA-N 2 0 326.529 1.590 20 0 EDADRP C[C@@H]1CN(C2CC[NH+](CCCNC(=O)C(F)(F)F)CC2)CCO1 ZINC000154365980 442335231 /nfs/dbraw/zinc/33/52/31/442335231.db2.gz KQPDTMMZEORLSR-GFCCVEGCSA-N 2 0 337.386 1.240 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC2CC[NH+](C)CC2)C1 ZINC000171415608 442346168 /nfs/dbraw/zinc/34/61/68/442346168.db2.gz WKFZDSQTRUTLNY-QGZVFWFLSA-N 2 0 340.512 1.326 20 0 EDADRP CC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000130620796 442351615 /nfs/dbraw/zinc/35/16/15/442351615.db2.gz CXXPQNSMJRGTGY-MRXNPFEDSA-N 2 0 338.883 1.706 20 0 EDADRP CC[N@H+](CC(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1)C1CC1 ZINC000154937536 442365696 /nfs/dbraw/zinc/36/56/96/442365696.db2.gz LQKBFVRFHZHJJI-UHFFFAOYSA-N 2 0 332.448 1.977 20 0 EDADRP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCSC1 ZINC000132354921 442391926 /nfs/dbraw/zinc/39/19/26/442391926.db2.gz UTINHOWWKRFRFY-MRXNPFEDSA-N 2 0 339.480 1.811 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000178068683 442405499 /nfs/dbraw/zinc/40/54/99/442405499.db2.gz KCSFYVJJDZXAEG-SQNIBIBYSA-N 2 0 327.513 1.434 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCn3ccnc3C2)[NH+](C)C)c1 ZINC000155785138 442427291 /nfs/dbraw/zinc/42/72/91/442427291.db2.gz JWWAHAKNLREXPT-WBVHZDCISA-N 2 0 342.443 1.873 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178392234 442429528 /nfs/dbraw/zinc/42/95/28/442429528.db2.gz GAJJBAIMGLSNDV-HNNXBMFYSA-N 2 0 331.526 1.642 20 0 EDADRP C[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[NH+]1CCCCCC1 ZINC000155878002 442433996 /nfs/dbraw/zinc/43/39/96/442433996.db2.gz DEPKEVKGSXXABZ-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000191522765 442458062 /nfs/dbraw/zinc/45/80/62/442458062.db2.gz NEJOSURATRCUJT-QGZVFWFLSA-N 2 0 325.497 1.284 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000178655615 442452887 /nfs/dbraw/zinc/45/28/87/442452887.db2.gz BPQGTLTZQWDPIS-MRXNPFEDSA-N 2 0 346.475 1.696 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000191511311 442456453 /nfs/dbraw/zinc/45/64/53/442456453.db2.gz RHJRPGIDDNPNBL-IBGZPJMESA-N 2 0 338.540 1.057 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N(C[C@@H]1CCC[NH2+]1)C1CC1 ZINC000186495723 442545923 /nfs/dbraw/zinc/54/59/23/442545923.db2.gz RFWCOOUIFJNTKS-INIZCTEOSA-N 2 0 335.492 1.765 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178890653 442516497 /nfs/dbraw/zinc/51/64/97/442516497.db2.gz BLSGYLORRBWWTM-DLBZAZTESA-N 2 0 330.476 1.455 20 0 EDADRP CC[NH+]1CCC(N(C)CC(=O)NCc2ccccc2COC)CC1 ZINC000157459142 442585804 /nfs/dbraw/zinc/58/58/04/442585804.db2.gz QOLPMBODCBDACE-UHFFFAOYSA-N 2 0 333.476 1.865 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157606142 442596419 /nfs/dbraw/zinc/59/64/19/442596419.db2.gz ICFIBPXDJGFFJJ-IRXDYDNUSA-N 2 0 325.497 1.018 20 0 EDADRP C(CCN1CC[NH+](CC2CC2)CC1)CN1CC[NH+](CC2CC2)CC1 ZINC000157601922 442596545 /nfs/dbraw/zinc/59/65/45/442596545.db2.gz ZIOQJPHSQHDKRH-UHFFFAOYSA-N 2 0 334.552 1.822 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N(C[C@H]3CCC[NH2+]3)C3CC3)ccn2)CC1 ZINC000186550535 442559562 /nfs/dbraw/zinc/55/95/62/442559562.db2.gz LRSFXNLZYZOBGO-MRXNPFEDSA-N 2 0 343.475 1.190 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000186589685 442567974 /nfs/dbraw/zinc/56/79/74/442567974.db2.gz LTKSFBCOIIGPGV-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@H+](CC)C1)N1CCOCC1 ZINC000173178470 442617239 /nfs/dbraw/zinc/61/72/39/442617239.db2.gz RCZOMNPNVVCTAJ-DOTOQJQBSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)cc1 ZINC000187901790 442697343 /nfs/dbraw/zinc/69/73/43/442697343.db2.gz SQSHKGQBRCTBIQ-DLBZAZTESA-N 2 0 335.448 1.723 20 0 EDADRP C[C@@H]1C[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000180998999 442673728 /nfs/dbraw/zinc/67/37/28/442673728.db2.gz KSAUNFKXKOBACU-CRAIPNDOSA-N 2 0 332.492 1.550 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188448928 442751182 /nfs/dbraw/zinc/75/11/82/442751182.db2.gz NEGIFYPJFCHJNH-LSDHHAIUSA-N 2 0 328.501 1.203 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000193548152 442752579 /nfs/dbraw/zinc/75/25/79/442752579.db2.gz GABDTIWERJCHAB-HKUYNNGSSA-N 2 0 344.503 1.764 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)Cc2ccccc2)C1 ZINC000265518778 442805927 /nfs/dbraw/zinc/80/59/27/442805927.db2.gz HNJWHUFKGWZKRW-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP Cn1cncc1CCC(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000193678163 442766673 /nfs/dbraw/zinc/76/66/73/442766673.db2.gz PAFCGZTXQRJHHX-UHFFFAOYSA-N 2 0 343.431 1.859 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000246372900 442776859 /nfs/dbraw/zinc/77/68/59/442776859.db2.gz GQKDKGXWXSSVRC-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000246384296 442777964 /nfs/dbraw/zinc/77/79/64/442777964.db2.gz RVSAMIBAQGLSKS-OAGGEKHMSA-N 2 0 326.485 1.079 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000246419263 442780649 /nfs/dbraw/zinc/78/06/49/442780649.db2.gz LSJOJNBBBGRDHQ-ULQDDVLXSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246744291 442810078 /nfs/dbraw/zinc/81/00/78/442810078.db2.gz PSQHBJQSNHJNBY-MHORFTMASA-N 2 0 328.497 1.474 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000246786442 442812816 /nfs/dbraw/zinc/81/28/16/442812816.db2.gz POQRSTDRGRVPKH-BRWVUGGUSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246786474 442812850 /nfs/dbraw/zinc/81/28/50/442812850.db2.gz POQRSTDRGRVPKH-IXDOHACOSA-N 2 0 337.508 1.819 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604891 442842919 /nfs/dbraw/zinc/84/29/19/442842919.db2.gz MQJKFHSGMSCXNX-AEFFLSMTSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000268141580 442866155 /nfs/dbraw/zinc/86/61/55/442866155.db2.gz FSWICVGDSSOLIQ-BLLLJJGKSA-N 2 0 347.463 1.261 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000189218951 442899174 /nfs/dbraw/zinc/89/91/74/442899174.db2.gz MFOLKXDGEBIGEO-KFWWJZLASA-N 2 0 338.496 1.098 20 0 EDADRP CN(CC1CC1)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182956866 442854707 /nfs/dbraw/zinc/85/47/07/442854707.db2.gz AASRNZFZXMAHCN-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP CN(CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1)CC[NH+](C)C ZINC000623088088 450398036 /nfs/dbraw/zinc/39/80/36/450398036.db2.gz WAKCXYCZWJEQJF-UHFFFAOYSA-N 2 0 333.455 1.985 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000266317069 443095844 /nfs/dbraw/zinc/09/58/44/443095844.db2.gz PNKYJFWMZCDRON-SNAWJCMRSA-N 2 0 346.475 1.369 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000266454927 443132019 /nfs/dbraw/zinc/13/20/19/443132019.db2.gz CIHFROLJZNAFFN-KRWDZBQOSA-N 2 0 336.480 1.557 20 0 EDADRP C[C@@H]1CN(C)CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735076 443166715 /nfs/dbraw/zinc/16/67/15/443166715.db2.gz LFWKKPQHSDHZTA-IAQYHMDHSA-N 2 0 340.265 1.786 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1 ZINC000261970304 443177148 /nfs/dbraw/zinc/17/71/48/443177148.db2.gz QLVKGRQAXWOMOT-IPMKNSEASA-N 2 0 347.503 1.874 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000237991174 443191598 /nfs/dbraw/zinc/19/15/98/443191598.db2.gz LCJLKMLLRRAAIL-DNVCBOLYSA-N 2 0 343.471 1.491 20 0 EDADRP COC[C@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262395482 443192532 /nfs/dbraw/zinc/19/25/32/443192532.db2.gz ZEYVFIQYKWWMJG-BZSNNMDCSA-N 2 0 331.460 1.473 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC1 ZINC000236872002 443151474 /nfs/dbraw/zinc/15/14/74/443151474.db2.gz CUVFADQOGMTQDW-SFHVURJKSA-N 2 0 332.492 1.564 20 0 EDADRP COCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1 ZINC000268959930 443159718 /nfs/dbraw/zinc/15/97/18/443159718.db2.gz XBKBPGRBFLKZJP-CRAIPNDOSA-N 2 0 349.475 1.702 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268964935 443160784 /nfs/dbraw/zinc/16/07/84/443160784.db2.gz GTBXVAMWPIXOPS-INIZCTEOSA-N 3 0 335.492 1.734 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000237166161 443161793 /nfs/dbraw/zinc/16/17/93/443161793.db2.gz SNRPLCISNFMSFU-UHFFFAOYSA-N 2 0 345.447 1.593 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)Cc2ccccc2C1 ZINC000269242174 443247072 /nfs/dbraw/zinc/24/70/72/443247072.db2.gz BKYHHTGSBICRSE-HXUWFJFHSA-N 2 0 349.478 1.916 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)[C@H](C)c2ccncc2)C1 ZINC000245746651 443248249 /nfs/dbraw/zinc/24/82/49/443248249.db2.gz WWKNIRRBVKMHPR-AEFFLSMTSA-N 2 0 348.491 1.547 20 0 EDADRP COC(=O)CN1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411559206 319184757 /nfs/dbraw/zinc/18/47/57/319184757.db2.gz HPNSBVKZTLTROQ-UHFFFAOYSA-N 2 0 345.487 1.963 20 0 EDADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269258962 443254839 /nfs/dbraw/zinc/25/48/39/443254839.db2.gz LPCNBVFCPDFDHU-IBGZPJMESA-N 2 0 345.487 1.878 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000413077723 319262878 /nfs/dbraw/zinc/26/28/78/319262878.db2.gz BRLSTOQKKILLJA-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccccc3C2)(N2CCOCC2)CC1 ZINC000414204410 319319442 /nfs/dbraw/zinc/31/94/42/319319442.db2.gz WHVJYVDIDXJLLS-HXUWFJFHSA-N 2 0 343.515 1.930 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414673027 319339473 /nfs/dbraw/zinc/33/94/73/319339473.db2.gz BKUDBAIYFDBVJA-IAGOWNOFSA-N 2 0 330.476 1.631 20 0 EDADRP C[N@@H+](Cc1ccccc1N1CCCC1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414676409 319340402 /nfs/dbraw/zinc/34/04/02/319340402.db2.gz HRRCPPHMUFFDAF-KRWDZBQOSA-N 2 0 344.503 1.916 20 0 EDADRP COc1ccc(Br)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414775462 319343931 /nfs/dbraw/zinc/34/39/31/319343931.db2.gz CSLQFGWBDPDTKZ-UHFFFAOYSA-N 2 0 342.281 1.843 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000415009561 319345367 /nfs/dbraw/zinc/34/53/67/319345367.db2.gz FUDHKCUMCFDGMC-UONOGXRCSA-N 2 0 325.478 1.473 20 0 EDADRP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000415085046 319346433 /nfs/dbraw/zinc/34/64/33/319346433.db2.gz QBKHJZWHHPAHKR-ZACQAIPSSA-N 2 0 331.460 1.787 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)ccc21 ZINC000415822793 319373993 /nfs/dbraw/zinc/37/39/93/319373993.db2.gz NJHXTRBWJULUGO-MRXNPFEDSA-N 2 0 344.459 1.384 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000415955440 319384245 /nfs/dbraw/zinc/38/42/45/319384245.db2.gz MXJGSBOPQPBYEI-MAUKXSAKSA-N 2 0 346.475 1.981 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415963024 319385851 /nfs/dbraw/zinc/38/58/51/319385851.db2.gz QVLMGPPONKMMBU-OAHLLOKOSA-N 2 0 331.464 1.847 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415999996 319388770 /nfs/dbraw/zinc/38/87/70/319388770.db2.gz XJARSLCDYIJUDF-OLZOCXBDSA-N 2 0 332.370 1.868 20 0 EDADRP COc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc2c1OCCO2 ZINC000185876461 443274218 /nfs/dbraw/zinc/27/42/18/443274218.db2.gz DUFZCVWLNIRZSE-OAHLLOKOSA-N 2 0 349.475 1.582 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269280027 443265311 /nfs/dbraw/zinc/26/53/11/443265311.db2.gz DWIKYIWFTRGEAH-FQEVSTJZSA-N 2 0 344.503 1.440 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](CO)C1 ZINC000266969674 443306006 /nfs/dbraw/zinc/30/60/06/443306006.db2.gz ZPLWCYNQWJHFPB-AEFFLSMTSA-N 2 0 345.487 1.470 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000418565596 319505332 /nfs/dbraw/zinc/50/53/32/319505332.db2.gz VOEBJAAOLLQAPT-JQFCIGGWSA-N 2 0 332.448 1.049 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc1 ZINC000264708492 443384134 /nfs/dbraw/zinc/38/41/34/443384134.db2.gz FEVRVPJSLBWOPZ-IBGZPJMESA-N 2 0 346.519 1.894 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000419302122 319583245 /nfs/dbraw/zinc/58/32/45/319583245.db2.gz FVRNMQBDCWZXRI-HNNXBMFYSA-N 2 0 338.496 1.143 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000264663974 443365774 /nfs/dbraw/zinc/36/57/74/443365774.db2.gz WMYNXLMAGUTIIF-AATRIKPKSA-N 2 0 344.503 1.558 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000272701411 443413381 /nfs/dbraw/zinc/41/33/81/443413381.db2.gz FROCPIVPUSOESY-MRXNPFEDSA-N 2 0 342.487 1.994 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269689132 443396708 /nfs/dbraw/zinc/39/67/08/443396708.db2.gz WEGRBBBXIZLOMQ-RDJZCZTQSA-N 2 0 333.480 1.083 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)c1 ZINC000278840056 443457497 /nfs/dbraw/zinc/45/74/97/443457497.db2.gz ZNKZTHCKWZTYOH-GOSISDBHSA-N 2 0 331.460 1.870 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccc(C(N)=O)c2)CC[NH2+]CC1 ZINC000422944964 319739333 /nfs/dbraw/zinc/73/93/33/319739333.db2.gz MKDPVHJUFWDKOY-AWEZNQCLSA-N 2 0 347.459 1.239 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422947461 319739892 /nfs/dbraw/zinc/73/98/92/319739892.db2.gz QEBIPEPKNUCHAP-KURKYZTESA-N 2 0 331.460 1.935 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@H](C)[C@H](OC)C2(C)C)CC[NH2+]CC1 ZINC000423012467 319745404 /nfs/dbraw/zinc/74/54/04/319745404.db2.gz DCHISALPJIUCED-XQLPTFJDSA-N 2 0 326.481 1.957 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1cccs1 ZINC000423306850 319762989 /nfs/dbraw/zinc/76/29/89/319762989.db2.gz MFBXQOPJLWYWRA-CABCVRRESA-N 2 0 347.488 1.902 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000267643279 443524673 /nfs/dbraw/zinc/52/46/73/443524673.db2.gz BAFHCRJQGZUIRX-IAGOWNOFSA-N 2 0 345.491 1.891 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000286074366 443640787 /nfs/dbraw/zinc/64/07/87/443640787.db2.gz GVPPWVIRGGXKOY-OQIJWPOYSA-N 2 0 327.472 1.775 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(C[NH3+])cc2)CC1=O ZINC000275181311 443622700 /nfs/dbraw/zinc/62/27/00/443622700.db2.gz VEOPLLUXGANNOL-RDJZCZTQSA-N 2 0 344.459 1.417 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000286076916 443641072 /nfs/dbraw/zinc/64/10/72/443641072.db2.gz MPAUUHQJXUEDMP-OAHLLOKOSA-N 2 0 332.448 1.064 20 0 EDADRP C[C@]1(O)CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000279875155 443633685 /nfs/dbraw/zinc/63/36/85/443633685.db2.gz CEZFFAJHKFJLAM-IBGZPJMESA-N 2 0 346.475 1.357 20 0 EDADRP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430540137 319932214 /nfs/dbraw/zinc/93/22/14/319932214.db2.gz GJZLPNVGTXZJCN-HNNXBMFYSA-N 2 0 325.497 1.901 20 0 EDADRP COc1ccccc1C(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000274225263 443599612 /nfs/dbraw/zinc/59/96/12/443599612.db2.gz ORKDLXVHJKKVLU-UHFFFAOYSA-N 2 0 349.475 1.610 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000265353148 443613948 /nfs/dbraw/zinc/61/39/48/443613948.db2.gz KPHSHUBEGBSYQA-GOSISDBHSA-N 2 0 331.460 1.685 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)CC(=O)N2 ZINC000433135353 319970967 /nfs/dbraw/zinc/97/09/67/319970967.db2.gz UJYDGDWEIAXVRR-ZDUSSCGKSA-N 2 0 344.459 1.562 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000433167159 319973208 /nfs/dbraw/zinc/97/32/08/319973208.db2.gz HXLXQUZDZBNRDK-ZDUSSCGKSA-N 2 0 334.420 1.326 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000440634153 320076324 /nfs/dbraw/zinc/07/63/24/320076324.db2.gz CIHSTYSFVIAICA-DLBZAZTESA-N 2 0 327.513 1.970 20 0 EDADRP CC1(F)CC(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000454416212 320288260 /nfs/dbraw/zinc/28/82/60/320288260.db2.gz CHXYPLIXXOVRHW-UHFFFAOYSA-N 2 0 349.454 1.784 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCCC1 ZINC000457441381 320325944 /nfs/dbraw/zinc/32/59/44/320325944.db2.gz QOFIINNSHIBHAJ-HNNXBMFYSA-N 2 0 326.485 1.007 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457452374 320326487 /nfs/dbraw/zinc/32/64/87/320326487.db2.gz HLZAFABZMHBPMU-INIZCTEOSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CCCO1 ZINC000457747172 320334797 /nfs/dbraw/zinc/33/47/97/320334797.db2.gz DOCKPEDLRGPEBT-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000286242020 443675574 /nfs/dbraw/zinc/67/55/74/443675574.db2.gz TYZLWCVBSPLAIJ-CQSZACIVSA-N 2 0 330.432 1.951 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@@](C)(C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000280341405 443698222 /nfs/dbraw/zinc/69/82/22/443698222.db2.gz SBLDAQDVDNAAGO-HXUWFJFHSA-N 2 0 344.503 1.914 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCCCO ZINC000276469571 443717536 /nfs/dbraw/zinc/71/75/36/443717536.db2.gz YRHUUDZPQDQUIG-QGZVFWFLSA-N 2 0 347.503 1.860 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)c1ccc(O)cc1 ZINC000280813088 443749022 /nfs/dbraw/zinc/74/90/22/443749022.db2.gz QVCGZGPLCVWXAB-UHFFFAOYSA-N 2 0 335.448 1.307 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529341213 320574603 /nfs/dbraw/zinc/57/46/03/320574603.db2.gz YFQUXPYNAXNKJU-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000285055720 443839435 /nfs/dbraw/zinc/83/94/35/443839435.db2.gz BRBCXXQAAQMDKS-SJLPKXTDSA-N 2 0 347.459 1.172 20 0 EDADRP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@@H](O)CO)cc3)nc12 ZINC000276735662 443807201 /nfs/dbraw/zinc/80/72/01/443807201.db2.gz JUFIBVTWFOVPSG-QGZVFWFLSA-N 2 0 341.411 1.665 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC(N)=O ZINC000298891872 443895122 /nfs/dbraw/zinc/89/51/22/443895122.db2.gz XEGPPMRUUCFZQI-ZIAGYGMSSA-N 2 0 332.448 1.592 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[NH+](C)C ZINC000298739002 443854007 /nfs/dbraw/zinc/85/40/07/443854007.db2.gz XWTZAHZZVQIBBQ-OKZBNKHCSA-N 2 0 333.476 1.326 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293010630 443901198 /nfs/dbraw/zinc/90/11/98/443901198.db2.gz PRCLGFKCDQQDEW-ICSRJNTNSA-N 2 0 348.487 1.990 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000277072090 443902533 /nfs/dbraw/zinc/90/25/33/443902533.db2.gz OWZBTAIQNVSSMF-ZIAGYGMSSA-N 2 0 334.464 1.759 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293245227 443961275 /nfs/dbraw/zinc/96/12/75/443961275.db2.gz SZEJQAZCINXMQY-BHIYHBOVSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)cc1 ZINC000277484273 443992464 /nfs/dbraw/zinc/99/24/64/443992464.db2.gz JCJPMXWTVCXZMQ-JCGIZDLHSA-N 2 0 331.460 1.400 20 0 EDADRP Cc1cnn(C)c1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000285628077 444052967 /nfs/dbraw/zinc/05/29/67/444052967.db2.gz ZWOYZTBZYRFXCU-UHFFFAOYSA-N 2 0 328.464 1.425 20 0 EDADRP C[C@@H](C(=O)N(C)C)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285504568 444009614 /nfs/dbraw/zinc/00/96/14/444009614.db2.gz QHNCHVHVUXLPFM-KRWDZBQOSA-N 2 0 332.492 1.213 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289165298 444067572 /nfs/dbraw/zinc/06/75/72/444067572.db2.gz DWXLBFFYKMMNHY-SFHVURJKSA-N 2 0 337.508 1.550 20 0 EDADRP O=C(CCc1ccco1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299535984 444073482 /nfs/dbraw/zinc/07/34/82/444073482.db2.gz HWEOBNOUONJIIF-UHFFFAOYSA-N 2 0 342.443 1.936 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)NCC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000562799052 321076535 /nfs/dbraw/zinc/07/65/35/321076535.db2.gz ZHRHJMDBPIAEFO-MRXNPFEDSA-N 2 0 333.480 1.012 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)cc2)CC1 ZINC000563061143 321091900 /nfs/dbraw/zinc/09/19/00/321091900.db2.gz YJSMEWIHKASDCF-YLJYHZDGSA-N 2 0 342.487 1.762 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000563603302 321111509 /nfs/dbraw/zinc/11/15/09/321111509.db2.gz BUQNUHSHFSJFLK-IXDOHACOSA-N 2 0 334.439 1.794 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000563792702 321113966 /nfs/dbraw/zinc/11/39/66/321113966.db2.gz YJKYUDYFFDMUFW-ZACQAIPSSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000564824329 321150242 /nfs/dbraw/zinc/15/02/42/321150242.db2.gz FGQJTNIRNWMYNJ-BBZRVKOSSA-N 2 0 348.491 1.537 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000564889471 321154951 /nfs/dbraw/zinc/15/49/51/321154951.db2.gz CQQJUVPXZBPWKE-ADKAHSJRSA-N 2 0 333.476 1.562 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000565041227 321165680 /nfs/dbraw/zinc/16/56/80/321165680.db2.gz DNPOMYAYEATTMP-IUODEOHRSA-N 2 0 332.448 1.693 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000565040911 321165834 /nfs/dbraw/zinc/16/58/34/321165834.db2.gz MAVSHURDEZDPEV-INIZCTEOSA-N 2 0 332.492 1.062 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000565608823 321193887 /nfs/dbraw/zinc/19/38/87/321193887.db2.gz YHSWCQNBWCQYQI-QGZVFWFLSA-N 2 0 343.556 1.758 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000565960112 321208103 /nfs/dbraw/zinc/20/81/03/321208103.db2.gz XFGPSYIZTCFXFV-UHFFFAOYSA-N 2 0 339.480 1.110 20 0 EDADRP CC1CCC(O)(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000566106217 321215216 /nfs/dbraw/zinc/21/52/16/321215216.db2.gz KFDUAHHHWNSGLB-UHFFFAOYSA-N 2 0 332.492 1.864 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CCCC[NH3+])[C@@H](c2ccccc2)C1 ZINC000566165425 321220432 /nfs/dbraw/zinc/22/04/32/321220432.db2.gz PCQGZAUXBLTGKV-GOSISDBHSA-N 2 0 332.492 1.610 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000567041217 321239711 /nfs/dbraw/zinc/23/97/11/321239711.db2.gz ANXWNSLBEBWDIS-WBVHZDCISA-N 3 0 338.540 1.591 20 0 EDADRP CN1C(=O)CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662853 321251785 /nfs/dbraw/zinc/25/17/85/321251785.db2.gz WWLDYNYWMHYCHI-XMTFNYHQSA-N 2 0 341.455 1.919 20 0 EDADRP CCn1[nH]c(C)nc1=NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000568233112 321284116 /nfs/dbraw/zinc/28/41/16/321284116.db2.gz DTGQTIKPKUFXIL-UHFFFAOYSA-N 2 0 348.495 1.163 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000568380995 321288572 /nfs/dbraw/zinc/28/85/72/321288572.db2.gz ZYIBZXAFTUBZPY-XFMPKHEZSA-N 2 0 337.851 1.787 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)NCc3ccccc3F)CC2)C1 ZINC000569218257 321321827 /nfs/dbraw/zinc/32/18/27/321321827.db2.gz XSWFMYWSVQHGHJ-WMZOPIPTSA-N 2 0 349.450 1.660 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)n1 ZINC000569864080 321330575 /nfs/dbraw/zinc/33/05/75/321330575.db2.gz KZEUFABLXHHXJI-HNNXBMFYSA-N 2 0 335.477 1.539 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH2+]C[C@H]1c1cccc(F)c1 ZINC000570928871 321364125 /nfs/dbraw/zinc/36/41/25/321364125.db2.gz SLCTYJAFWYHKEU-UFYCRDLUSA-N 2 0 343.446 1.703 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000570943742 321365849 /nfs/dbraw/zinc/36/58/49/321365849.db2.gz SISDXXAJBDFXQN-BFYDXBDKSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC(C)C1 ZINC000571102682 321371344 /nfs/dbraw/zinc/37/13/44/321371344.db2.gz SMZLIJSTKAXABR-VQIMIIECSA-N 2 0 331.460 1.080 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000571386159 321385323 /nfs/dbraw/zinc/38/53/23/321385323.db2.gz VOOWURAUCZLZRP-UHFFFAOYSA-N 2 0 332.448 1.565 20 0 EDADRP COc1cccc(C[C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)n1 ZINC000571743471 321399398 /nfs/dbraw/zinc/39/93/98/321399398.db2.gz USSZFALFCXZYQD-CRFBAAHOSA-N 2 0 346.475 1.258 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000571789675 321400841 /nfs/dbraw/zinc/40/08/41/321400841.db2.gz JGCRGMQWQCITIU-OWCLPIDISA-N 2 0 337.464 1.564 20 0 EDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000285796232 444109644 /nfs/dbraw/zinc/10/96/44/444109644.db2.gz PPVNZAUOTRWNSS-LBPRGKRZSA-N 2 0 333.436 1.436 20 0 EDADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CCC4OCCO4)CC3)C2)cc1 ZINC000285796681 444110792 /nfs/dbraw/zinc/11/07/92/444110792.db2.gz FRHDAEDYXHGKDN-LJQANCHMSA-N 2 0 345.487 1.642 20 0 EDADRP C[C@@H](C[NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000285854349 444130107 /nfs/dbraw/zinc/13/01/07/444130107.db2.gz XYEYDNUENZJTEQ-INIZCTEOSA-N 2 0 333.476 1.769 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CC[NH2+]C)CC1 ZINC000285913132 444151347 /nfs/dbraw/zinc/15/13/47/444151347.db2.gz DMRHUHZPMPRTEX-AWEZNQCLSA-N 2 0 336.455 1.754 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)N(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000290302262 444264647 /nfs/dbraw/zinc/26/46/47/444264647.db2.gz YXKUVKKUQJKBFM-AWEZNQCLSA-N 2 0 343.493 1.169 20 0 EDADRP CC(C)c1cc(N2CC[C@H]([NH+](C)C)C2)nc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000302786357 444224257 /nfs/dbraw/zinc/22/42/57/444224257.db2.gz WDNVABJRFYRROU-JKSUJKDBSA-N 2 0 346.523 1.881 20 0 EDADRP CC[C@H](C)Oc1cc(C)ccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000577055579 321618897 /nfs/dbraw/zinc/61/88/97/321618897.db2.gz SXTFTOLQCSOAMP-PKOBYXMFSA-N 2 0 349.519 1.870 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000578167073 321732552 /nfs/dbraw/zinc/73/25/52/321732552.db2.gz ZIUVYLQAWHPAEU-MRXNPFEDSA-N 2 0 331.464 1.606 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+]CC2CC[NH+](CC)CC2)CC1 ZINC000323773774 444346002 /nfs/dbraw/zinc/34/60/02/444346002.db2.gz ANKRXFITHSQINH-UHFFFAOYSA-N 2 0 326.481 1.792 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000297749698 444328810 /nfs/dbraw/zinc/32/88/10/444328810.db2.gz UEUDKQWKRJXUGU-KRWDZBQOSA-N 2 0 340.471 1.812 20 0 EDADRP CC(C)(CNC(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000332056619 444499066 /nfs/dbraw/zinc/49/90/66/444499066.db2.gz VZCWHUBSIYGDRA-UHFFFAOYSA-N 2 0 330.476 1.956 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1Cl ZINC000580065409 322004026 /nfs/dbraw/zinc/00/40/26/322004026.db2.gz VNMUQNSGVWMTDE-AWEZNQCLSA-N 2 0 327.856 1.047 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079129 322007187 /nfs/dbraw/zinc/00/71/87/322007187.db2.gz JMGQKDRKSHJGDJ-ICSRJNTNSA-N 2 0 342.487 1.896 20 0 EDADRP Cc1ccc([C@H](Cn2ccnc2)NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(C)c1 ZINC000580823408 322099853 /nfs/dbraw/zinc/09/98/53/322099853.db2.gz NOVUJHKBCHDLMP-XWTMOSNGSA-N 2 0 339.443 1.758 20 0 EDADRP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000581245770 322153560 /nfs/dbraw/zinc/15/35/60/322153560.db2.gz WHNVBFDGOVNEGO-KBAYOESNSA-N 2 0 349.450 1.611 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)C1CCC1 ZINC000581368871 322169772 /nfs/dbraw/zinc/16/97/72/322169772.db2.gz ODTKSIPCLWGCRG-GOSISDBHSA-N 2 0 345.491 1.710 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C)C1 ZINC000581478366 322181954 /nfs/dbraw/zinc/18/19/54/322181954.db2.gz GWSGYNCQEGWQBU-HUUCEWRRSA-N 2 0 326.485 1.135 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000332930161 444600388 /nfs/dbraw/zinc/60/03/88/444600388.db2.gz PXEVPQBOVBESTB-JKSUJKDBSA-N 2 0 331.464 1.988 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000333322052 444657411 /nfs/dbraw/zinc/65/74/11/444657411.db2.gz NDOZBGJOHVLCDN-CZUORRHYSA-N 2 0 330.432 1.727 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373925 444663464 /nfs/dbraw/zinc/66/34/64/444663464.db2.gz NLVOWVCRZSNJJK-LISAXSMJSA-N 2 0 337.508 1.532 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341112570 444679968 /nfs/dbraw/zinc/67/99/68/444679968.db2.gz MLMUSXQGUCZXMC-OAHLLOKOSA-N 2 0 342.528 1.905 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342342602 444642622 /nfs/dbraw/zinc/64/26/22/444642622.db2.gz DXAFTPBZVAEXBO-NVXWUHKLSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1)[C@H]1CCSC1 ZINC000343966981 444699637 /nfs/dbraw/zinc/69/96/37/444699637.db2.gz YYSRNXTZIUBTKF-CVEARBPZSA-N 2 0 325.522 1.614 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000333901175 444712889 /nfs/dbraw/zinc/71/28/89/444712889.db2.gz ZVHHIIFTQPUTQN-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP Cc1cccc(OCCNC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341180686 444713639 /nfs/dbraw/zinc/71/36/39/444713639.db2.gz DUCUWQWEUVZFKY-UHFFFAOYSA-N 2 0 333.476 1.764 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1n1ccnc1 ZINC000333924508 444719504 /nfs/dbraw/zinc/71/95/04/444719504.db2.gz SZSRQDRIEJKHOS-WRQOLXDDSA-N 2 0 331.464 1.864 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000341196468 444723123 /nfs/dbraw/zinc/72/31/23/444723123.db2.gz UFDNOTMGJVXIAD-UHFFFAOYSA-N 2 0 346.475 1.676 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H](C)C[NH2+]1 ZINC000333951256 444727732 /nfs/dbraw/zinc/72/77/32/444727732.db2.gz YVDLTVKNMRHWAC-HUUCEWRRSA-N 2 0 331.464 1.438 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000333762034 444695717 /nfs/dbraw/zinc/69/57/17/444695717.db2.gz CURDSTWRVNKBMR-HIRMHNASSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333794813 444698205 /nfs/dbraw/zinc/69/82/05/444698205.db2.gz NASDNEPHCHUFAB-QKPAOTATSA-N 2 0 326.485 1.031 20 0 EDADRP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)[C@H]1C ZINC000344054545 444753618 /nfs/dbraw/zinc/75/36/18/444753618.db2.gz JCUREKSRPYDARF-SQNIBIBYSA-N 2 0 340.556 1.743 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061880 444758843 /nfs/dbraw/zinc/75/88/43/444758843.db2.gz MYKJQMYUKBJGKU-DLBZAZTESA-N 2 0 339.524 1.827 20 0 EDADRP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000341296958 444766149 /nfs/dbraw/zinc/76/61/49/444766149.db2.gz YBSXJXUUNSCXCF-INIZCTEOSA-N 2 0 333.476 1.170 20 0 EDADRP CO[C@H]1CCCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000341316048 444776138 /nfs/dbraw/zinc/77/61/38/444776138.db2.gz OAHREAJGYSLNRY-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C12CCCC2 ZINC000344177401 444822932 /nfs/dbraw/zinc/82/29/32/444822932.db2.gz UCWYAQZWNHISIG-YESZJQIVSA-N 2 0 337.508 1.901 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341428076 444824795 /nfs/dbraw/zinc/82/47/95/444824795.db2.gz INNNFHNRUPAFCZ-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342755171 444850168 /nfs/dbraw/zinc/85/01/68/444850168.db2.gz KFVYSMBJCCKKFG-WBQNTZJQSA-N 2 0 326.444 1.624 20 0 EDADRP C[C@@H]1CN(c2cc(N3C[C@H](C)[NH+](C)[C@@H](C)C3)ncn2)C[C@H](C)[N@@H+]1C ZINC000338785949 444850826 /nfs/dbraw/zinc/85/08/26/444850826.db2.gz CBSFWBDHVUCTTQ-YHUYYLMFSA-N 2 0 332.496 1.534 20 0 EDADRP COC(=O)c1cn(CC[NH2+][C@H](C)c2ccc(-n3ccnc3)cc2)nn1 ZINC000342808349 444875173 /nfs/dbraw/zinc/87/51/73/444875173.db2.gz BQBUZJMZPJYAEF-CYBMUJFWSA-N 2 0 340.387 1.601 20 0 EDADRP CCc1oc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000338942140 444947696 /nfs/dbraw/zinc/94/76/96/444947696.db2.gz CRIJTILYVYGDCC-CQSZACIVSA-N 2 0 337.464 1.602 20 0 EDADRP CCc1oc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C(=O)OC ZINC000338950216 444951069 /nfs/dbraw/zinc/95/10/69/444951069.db2.gz BITVKWGSMFIPRY-UHFFFAOYSA-N 2 0 337.464 1.744 20 0 EDADRP Cc1cccc2oc(CCNC(=O)CCC[NH+]3CCC([NH3+])CC3)nc21 ZINC000337134908 444957092 /nfs/dbraw/zinc/95/70/92/444957092.db2.gz LVHMSNIYRFRZRS-UHFFFAOYSA-N 2 0 344.459 1.998 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000337374683 445053414 /nfs/dbraw/zinc/05/34/14/445053414.db2.gz QRKDHGKGDNVNAE-JKSUJKDBSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000337390357 445059753 /nfs/dbraw/zinc/05/97/53/445059753.db2.gz HDRCBTDPARVEGT-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)CN2CCOCC2)CC1 ZINC000337464634 445092345 /nfs/dbraw/zinc/09/23/45/445092345.db2.gz LYNPYFYKWKOFRZ-SFHVURJKSA-N 2 0 326.529 1.055 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000339638808 445156138 /nfs/dbraw/zinc/15/61/38/445156138.db2.gz JSRFJAMMNALLTB-FGTMMUONSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173133 445207332 /nfs/dbraw/zinc/20/73/32/445207332.db2.gz CIZYYLGAPUVVKA-CAMMJAKZSA-N 2 0 349.519 1.819 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343358566 445208981 /nfs/dbraw/zinc/20/89/81/445208981.db2.gz DHCHANUSTHSOBM-MOPGFXCFSA-N 2 0 348.535 1.347 20 0 EDADRP CC(C)[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[NH+]1CCCCC1 ZINC000346270921 445210034 /nfs/dbraw/zinc/21/00/34/445210034.db2.gz KKYIGQMQRMLLDI-QGZVFWFLSA-N 2 0 325.497 1.460 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000348011584 445261493 /nfs/dbraw/zinc/26/14/93/445261493.db2.gz RVDDGZDNEOIOCX-HRCADAONSA-N 2 0 341.521 1.135 20 0 EDADRP Cn1cc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cn1 ZINC000348108522 445271368 /nfs/dbraw/zinc/27/13/68/445271368.db2.gz SVPAKNIVIWBDOD-SQNIBIBYSA-N 2 0 337.487 1.749 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348126556 445282383 /nfs/dbraw/zinc/28/23/83/445282383.db2.gz JYOPTJCVHUPPRV-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000351822911 445333798 /nfs/dbraw/zinc/33/37/98/445333798.db2.gz PNBBRCSFXKCHOF-QZTJIDSGSA-N 2 0 344.503 1.785 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2COC[C@H]2O)CC1 ZINC000348645548 445343925 /nfs/dbraw/zinc/34/39/25/445343925.db2.gz OFAHGRPOGUDLDX-RBUKOAKNSA-N 2 0 333.476 1.410 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000351864522 445347300 /nfs/dbraw/zinc/34/73/00/445347300.db2.gz YKJKFVQWEYWLNH-WBVHZDCISA-N 3 0 346.475 1.126 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NCCOc1ccccc1 ZINC000357072673 445408385 /nfs/dbraw/zinc/40/83/85/445408385.db2.gz HNTHZTMAJZISLI-QGZVFWFLSA-N 2 0 331.460 1.503 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357108525 445433083 /nfs/dbraw/zinc/43/30/83/445433083.db2.gz FWWBTTVDURRIIW-GOSISDBHSA-N 2 0 338.540 1.785 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](C)CC2)C1 ZINC000357115504 445436352 /nfs/dbraw/zinc/43/63/52/445436352.db2.gz JRMLGIGWIPEENH-SJORKVTESA-N 2 0 325.497 1.581 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000354957800 445436539 /nfs/dbraw/zinc/43/65/39/445436539.db2.gz GYSHBEZTIKKTFK-SJORKVTESA-N 2 0 338.496 1.101 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354986212 445438227 /nfs/dbraw/zinc/43/82/27/445438227.db2.gz WOGCZPVPRBLXRW-ZACQAIPSSA-N 2 0 336.524 1.486 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CCOC1C[NH2+]C1)c1ccsc1 ZINC000348987860 445466714 /nfs/dbraw/zinc/46/67/14/445466714.db2.gz ABWBRVHBZMAGMH-HNNXBMFYSA-N 2 0 325.478 1.626 20 0 EDADRP CCC[C@@H](C)CS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000357174160 445467225 /nfs/dbraw/zinc/46/72/25/445467225.db2.gz SARQPDQGEDWNOC-OAHLLOKOSA-N 2 0 333.542 1.710 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCCC1 ZINC000349001663 445471931 /nfs/dbraw/zinc/47/19/31/445471931.db2.gz OJXZTAYTQIXZON-QGZVFWFLSA-N 2 0 347.459 1.327 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000362703283 445508706 /nfs/dbraw/zinc/50/87/06/445508706.db2.gz JFOLENUCFPGQFM-RDJZCZTQSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000362746497 445530630 /nfs/dbraw/zinc/53/06/30/445530630.db2.gz VJWNMQYIBZWYMK-BHIYHBOVSA-N 2 0 329.488 1.865 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000362672536 445492543 /nfs/dbraw/zinc/49/25/43/445492543.db2.gz RIUOSCHKKJKKGK-GDBMZVCRSA-N 2 0 326.485 1.079 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC000362696277 445504767 /nfs/dbraw/zinc/50/47/67/445504767.db2.gz XGJWOGCQHSQRAH-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP COc1cccc(N2CCC([NH2+][C@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000362796828 445553519 /nfs/dbraw/zinc/55/35/19/445553519.db2.gz KPZLELQPMZHWDN-QGZVFWFLSA-N 2 0 346.519 1.890 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2cncn2)cc1 ZINC000349328680 445565324 /nfs/dbraw/zinc/56/53/24/445565324.db2.gz GQOGWPZLBXWPKI-UHFFFAOYSA-N 2 0 328.464 1.337 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000360121667 445578690 /nfs/dbraw/zinc/57/86/90/445578690.db2.gz AHMYEJYWILRJSK-HZPDHXFCSA-N 2 0 328.501 1.467 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1cccs1 ZINC000356088183 445613496 /nfs/dbraw/zinc/61/34/96/445613496.db2.gz DFPMNFLHCVARBI-CQSZACIVSA-N 2 0 333.461 1.579 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000349608774 445622463 /nfs/dbraw/zinc/62/24/63/445622463.db2.gz GUKWSINVWKFXTC-DJIMGWMZSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000358514767 445626827 /nfs/dbraw/zinc/62/68/27/445626827.db2.gz AIBNWVANGNIHRE-KBAYOESNSA-N 2 0 330.476 1.710 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353501254 445631214 /nfs/dbraw/zinc/63/12/14/445631214.db2.gz YTCCLVSACXOERR-BDXSIMOUSA-N 2 0 336.524 1.392 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353424837 445595748 /nfs/dbraw/zinc/59/57/48/445595748.db2.gz GGXFSWZBSLRDRY-TWMKSMIVSA-N 2 0 325.497 1.626 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000349787355 445678818 /nfs/dbraw/zinc/67/88/18/445678818.db2.gz UDPVLWQRUFCHFE-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cn1 ZINC000349814680 445687031 /nfs/dbraw/zinc/68/70/31/445687031.db2.gz VLHFNNQJCUAFEX-ZDUSSCGKSA-N 2 0 341.297 1.960 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000358691353 445719780 /nfs/dbraw/zinc/71/97/80/445719780.db2.gz YPJHNBITPRZXAR-MJGOQNOKSA-N 2 0 348.491 1.218 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356240138 445693520 /nfs/dbraw/zinc/69/35/20/445693520.db2.gz ZXMNAPFAGFKFFT-MRXNPFEDSA-N 2 0 333.480 1.727 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000349845585 445697201 /nfs/dbraw/zinc/69/72/01/445697201.db2.gz HQSCLJZWZRZFHZ-SJORKVTESA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+]1CCC(CCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000363168567 445705738 /nfs/dbraw/zinc/70/57/38/445705738.db2.gz AOAPGFIQCMPMJE-UHFFFAOYSA-N 2 0 347.507 1.831 20 0 EDADRP CCCC[N@H+](C)CC1CCN([C@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000363175785 445707719 /nfs/dbraw/zinc/70/77/19/445707719.db2.gz AYBFWUFGAVOFGD-KRWDZBQOSA-N 2 0 347.507 1.969 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000349888514 445713736 /nfs/dbraw/zinc/71/37/36/445713736.db2.gz INXODHCKCZZOLA-QRVBRYPASA-N 2 0 341.540 1.653 20 0 EDADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC[NH+](C)CC1 ZINC000360695737 445722859 /nfs/dbraw/zinc/72/28/59/445722859.db2.gz PUDLKYHZDABBHS-CABCVRRESA-N 2 0 342.553 1.795 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000356503743 445827026 /nfs/dbraw/zinc/82/70/26/445827026.db2.gz AFBSXFVVMIOIFK-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363390963 445784625 /nfs/dbraw/zinc/78/46/25/445784625.db2.gz XXQUBXTYOTZNPN-IAGOWNOFSA-N 2 0 338.496 1.461 20 0 EDADRP CC1(C)CC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390710 445785245 /nfs/dbraw/zinc/78/52/45/445785245.db2.gz VNOMFKFEBSVVEK-CABCVRRESA-N 2 0 338.496 1.458 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@@H](C)C1 ZINC000361494076 445787738 /nfs/dbraw/zinc/78/77/38/445787738.db2.gz WLFNXRBXPUDBRU-HOTGVXAUSA-N 2 0 325.497 1.759 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356509908 445832211 /nfs/dbraw/zinc/83/22/11/445832211.db2.gz UYVDNMGBEKFOEY-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356451114 445797142 /nfs/dbraw/zinc/79/71/42/445797142.db2.gz MGODHDROSQWXKU-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP COCC[C@@H]1COCCN1CC(C)C[N@@H+]1CCOC[C@H]1CCOC ZINC000361526550 445803687 /nfs/dbraw/zinc/80/36/87/445803687.db2.gz BEVIKKYUCJUUQJ-QZTJIDSGSA-N 2 0 344.496 1.097 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000358941127 445858100 /nfs/dbraw/zinc/85/81/00/445858100.db2.gz XVOYKZSUGYYQTA-HUUCEWRRSA-N 2 0 339.505 1.943 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372945626 445936384 /nfs/dbraw/zinc/93/63/84/445936384.db2.gz IATAGCWFKONVIX-KBPBESRZSA-N 2 0 333.436 1.358 20 0 EDADRP COC(=O)[C@@H]1CCCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000369113578 445937309 /nfs/dbraw/zinc/93/73/09/445937309.db2.gz TWXGTXJSOCRFAG-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000364875583 445963631 /nfs/dbraw/zinc/96/36/31/445963631.db2.gz AHDXOSGYVOYUHW-DOTOQJQBSA-N 2 0 333.480 1.711 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000351005731 445969592 /nfs/dbraw/zinc/96/95/92/445969592.db2.gz OZHBMLPRLYAKCJ-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373059886 445999416 /nfs/dbraw/zinc/99/94/16/445999416.db2.gz VRJOWALTAFUOHS-QRVBRYPASA-N 2 0 343.471 1.488 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000361832893 445990160 /nfs/dbraw/zinc/99/01/60/445990160.db2.gz KSRKPNGDBUTALO-QGZVFWFLSA-N 2 0 334.464 1.843 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1cccc(Cl)c1 ZINC000582840759 325939873 /nfs/dbraw/zinc/93/98/73/325939873.db2.gz JYOKWZGYGPKUTI-GDBMZVCRSA-N 2 0 341.883 1.305 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000359214345 446043794 /nfs/dbraw/zinc/04/37/94/446043794.db2.gz AGXPPFSZEVQMJK-RDJZCZTQSA-N 2 0 334.439 1.964 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CC[NH2+][C@H](C)C3)C2=O)cc1 ZINC000583012159 325979352 /nfs/dbraw/zinc/97/93/52/325979352.db2.gz WFJOMZAVEXHSIO-KYJSFNMBSA-N 2 0 331.460 1.774 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000583142519 326011466 /nfs/dbraw/zinc/01/14/66/326011466.db2.gz BBVUXMSJDRAUNO-GOSISDBHSA-N 2 0 331.460 1.475 20 0 EDADRP CC(C)[NH2+]CCC[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000583257145 326035067 /nfs/dbraw/zinc/03/50/67/326035067.db2.gz KXCWUERNJQQFPD-GFCCVEGCSA-N 2 0 330.270 1.977 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(C(=O)c2cccc(F)c2)CC1 ZINC000583271003 326039615 /nfs/dbraw/zinc/03/96/15/326039615.db2.gz KJKNRHZWZFIMNK-QGZVFWFLSA-N 2 0 337.439 1.286 20 0 EDADRP CO[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H](C[NH3+])C1 ZINC000359219299 446049963 /nfs/dbraw/zinc/04/99/63/446049963.db2.gz PLLSKHUXXCCMNQ-ZWKOTPCHSA-N 2 0 340.427 1.825 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000583495392 326083075 /nfs/dbraw/zinc/08/30/75/326083075.db2.gz CHDCIPGYBRCEAN-CQSZACIVSA-N 2 0 335.370 1.815 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000583495494 326083135 /nfs/dbraw/zinc/08/31/35/326083135.db2.gz IAFNBNDYNGTTCW-WOJBJXKFSA-N 2 0 333.520 1.699 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000583742034 326129943 /nfs/dbraw/zinc/12/99/43/326129943.db2.gz BWYZZWZCMKRRFJ-SFHVURJKSA-N 2 0 346.475 1.460 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC([NH3+])C1 ZINC000583802224 326142254 /nfs/dbraw/zinc/14/22/54/326142254.db2.gz FKTTZTRWIPSDBX-YJNKEBTESA-N 2 0 334.439 1.650 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCOC1 ZINC000356845948 446066394 /nfs/dbraw/zinc/06/63/94/446066394.db2.gz ISIHNFNJZLGRFX-ROUUACIJSA-N 2 0 347.507 1.784 20 0 EDADRP COC[C@H]1CCCC[NH+](CC(O)C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172452 446072128 /nfs/dbraw/zinc/07/21/28/446072128.db2.gz JBNOZIRSINOGMD-ROUUACIJSA-N 2 0 342.524 1.844 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C[C@@H](O)C[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474853 446074951 /nfs/dbraw/zinc/07/49/51/446074951.db2.gz HNNTXNOTOYNGOV-MDZRGWNJSA-N 2 0 339.524 1.263 20 0 EDADRP CSC1(CNC(=O)C[N@H+](C)[C@H]2CCSC2)CC[NH+](C)CC1 ZINC000359263737 446100081 /nfs/dbraw/zinc/10/00/81/446100081.db2.gz QGXYMIJNAZCPPC-ZDUSSCGKSA-N 2 0 331.551 1.367 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@H+](CCC[NH3+])Cc2ccccc2)C1=O ZINC000359284151 446120158 /nfs/dbraw/zinc/12/01/58/446120158.db2.gz LDZGWUUEAYZWIR-UHFFFAOYSA-N 2 0 332.448 1.558 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000373254694 446125628 /nfs/dbraw/zinc/12/56/28/446125628.db2.gz GLBSHHNVPUNBOB-UHFFFAOYSA-N 2 0 344.503 1.635 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366283786 446126886 /nfs/dbraw/zinc/12/68/86/446126886.db2.gz PDVPJIWKDPJBDJ-JKSUJKDBSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015203 446174255 /nfs/dbraw/zinc/17/42/55/446174255.db2.gz BSZOMIKIMUEZCN-SQNIBIBYSA-N 2 0 336.524 1.249 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351591466 446188373 /nfs/dbraw/zinc/18/83/73/446188373.db2.gz FGGAAVLCXJVWEV-UXHICEINSA-N 2 0 347.503 1.010 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000366327129 446153623 /nfs/dbraw/zinc/15/36/23/446153623.db2.gz SHZFXEZPMVKILC-MAUKXSAKSA-N 2 0 330.476 1.798 20 0 EDADRP CC[N@H+](CCNC(=O)NCC[NH+]1CC=CCC1)CCC(F)(F)F ZINC000354448849 446211783 /nfs/dbraw/zinc/21/17/83/446211783.db2.gz SXQDTAYACKTCEM-UHFFFAOYSA-N 2 0 336.402 1.822 20 0 EDADRP COc1ccc([C@@H]2[C@H](CNC(=O)[C@H]3C[NH2+]CCO3)CCC[N@@H+]2C)cc1 ZINC000373446231 446221398 /nfs/dbraw/zinc/22/13/98/446221398.db2.gz BZAOKWGAYYNJBB-CGTJXYLNSA-N 2 0 347.459 1.183 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000365482169 446227465 /nfs/dbraw/zinc/22/74/65/446227465.db2.gz QFTBWDGOLAAYKU-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCCC[NH+]2CCC[C@@H]2CO)C1 ZINC000365602818 446270266 /nfs/dbraw/zinc/27/02/66/446270266.db2.gz OXPDMJDRBNSQOD-CRAIPNDOSA-N 2 0 343.487 1.552 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365716589 446312741 /nfs/dbraw/zinc/31/27/41/446312741.db2.gz DGRHJFPQJINUFE-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417338916 446347243 /nfs/dbraw/zinc/34/72/43/446347243.db2.gz KVAARTMCUNUJIV-PMPSAXMXSA-N 2 0 330.476 1.825 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000359621560 446323913 /nfs/dbraw/zinc/32/39/13/446323913.db2.gz PXENHAXMEHBVHY-MRXNPFEDSA-N 2 0 342.491 1.864 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000373861057 446338607 /nfs/dbraw/zinc/33/86/07/446338607.db2.gz XAIPTFOWLVYMFO-SOAMZJECSA-N 2 0 348.535 1.393 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[NH+](C)C)cc1 ZINC000417309660 446343575 /nfs/dbraw/zinc/34/35/75/446343575.db2.gz JCBKABJSHTXJDG-LSDHHAIUSA-N 2 0 340.418 1.894 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000417365792 446350056 /nfs/dbraw/zinc/35/00/56/446350056.db2.gz MNNQJNDLEWFLRV-HUUCEWRRSA-N 2 0 336.505 1.963 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075268 446351069 /nfs/dbraw/zinc/35/10/69/446351069.db2.gz RPLDHCZQSQRMAH-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417434685 446351749 /nfs/dbraw/zinc/35/17/49/446351749.db2.gz ACVUEPKVAFWGQF-HOCLYGCPSA-N 2 0 326.485 1.399 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000374152327 446354810 /nfs/dbraw/zinc/35/48/10/446354810.db2.gz XCXGTZHAZPXNTD-UHFFFAOYSA-N 2 0 348.495 2.099 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417514279 446359805 /nfs/dbraw/zinc/35/98/05/446359805.db2.gz IZYUZEISZPQQHL-FUHWJXTLSA-N 2 0 348.491 1.686 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516837 446360694 /nfs/dbraw/zinc/36/06/94/446360694.db2.gz OVOSNLJKCULPKO-IAGOWNOFSA-N 2 0 334.464 1.357 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417525665 446361702 /nfs/dbraw/zinc/36/17/02/446361702.db2.gz LWYLSVWADZTHAU-KRWDZBQOSA-N 2 0 336.480 1.452 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589102 446365425 /nfs/dbraw/zinc/36/54/25/446365425.db2.gz VGJPVXPYRRDEOP-OAHLLOKOSA-N 2 0 340.512 1.694 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000417674065 446368994 /nfs/dbraw/zinc/36/89/94/446368994.db2.gz XYHWWAXYZMYVHK-BRWVUGGUSA-N 2 0 340.512 1.565 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000417848951 446375013 /nfs/dbraw/zinc/37/50/13/446375013.db2.gz WAIYCJIXQLAIIE-SJLPKXTDSA-N 2 0 348.491 1.575 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417912892 446383076 /nfs/dbraw/zinc/38/30/76/446383076.db2.gz PETLMJGKOJTGCI-FUHWJXTLSA-N 2 0 340.512 1.422 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417916910 446384212 /nfs/dbraw/zinc/38/42/12/446384212.db2.gz WJXYWPQUZAHTRR-KRWDZBQOSA-N 2 0 346.519 1.752 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000417927182 446387853 /nfs/dbraw/zinc/38/78/53/446387853.db2.gz FSQACLWZBUIWDS-DOTOQJQBSA-N 2 0 334.439 1.781 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000417929593 446388870 /nfs/dbraw/zinc/38/88/70/446388870.db2.gz SVKGIIJOFJTYBC-FUHWJXTLSA-N 2 0 348.491 1.250 20 0 EDADRP CC[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000423130224 446435098 /nfs/dbraw/zinc/43/50/98/446435098.db2.gz GFNORDDHXXBFIC-AQNXPRMDSA-N 2 0 331.504 1.916 20 0 EDADRP Cc1cc(C)c(NC(=O)C(=O)NC[C@H](C)CN2CCOCC2)c(C)n1 ZINC000411251405 446444841 /nfs/dbraw/zinc/44/48/41/446444841.db2.gz HYXIGXUZZVBZGQ-LBPRGKRZSA-N 2 0 348.447 1.030 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423187632 446447993 /nfs/dbraw/zinc/44/79/93/446447993.db2.gz YIUJYKNNTDKYJG-HNNXBMFYSA-N 2 0 345.491 1.916 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418179401 446448564 /nfs/dbraw/zinc/44/85/64/446448564.db2.gz ZQXIQFVZVKYJNI-AWEZNQCLSA-N 2 0 334.464 1.554 20 0 EDADRP C[C@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420289347 446454355 /nfs/dbraw/zinc/45/43/55/446454355.db2.gz KCANCCWYWQDOEU-MRXNPFEDSA-N 2 0 345.487 1.790 20 0 EDADRP CCCNC(=O)[C@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420295210 446458260 /nfs/dbraw/zinc/45/82/60/446458260.db2.gz BWSFDHBEBKZJSF-IRXDYDNUSA-N 2 0 333.476 1.976 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)ccc1C[NH+](C)C ZINC000411303349 446481360 /nfs/dbraw/zinc/48/13/60/446481360.db2.gz QSXPCCSYFSLWEN-PBHICJAKSA-N 2 0 346.475 1.404 20 0 EDADRP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420309146 446471600 /nfs/dbraw/zinc/47/16/00/446471600.db2.gz OJESTDWYVNIPDK-UHFFFAOYSA-N 2 0 345.443 1.796 20 0 EDADRP CC(C)(C)c1nc(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)no1 ZINC000420309838 446474055 /nfs/dbraw/zinc/47/40/55/446474055.db2.gz FIZAAYNRORZGJI-OAHLLOKOSA-N 2 0 335.496 1.874 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423309988 446483031 /nfs/dbraw/zinc/48/30/31/446483031.db2.gz QZDPBJZCGYJYNP-CVEARBPZSA-N 2 0 347.507 1.881 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000423313134 446484393 /nfs/dbraw/zinc/48/43/93/446484393.db2.gz FDVHVZNOXSAFKP-SFHVURJKSA-N 2 0 341.459 1.799 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326736 446493744 /nfs/dbraw/zinc/49/37/44/446493744.db2.gz KQFAHPXDLSVLLI-AEFFLSMTSA-N 2 0 345.487 1.721 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@@H]1C ZINC000367059350 446494904 /nfs/dbraw/zinc/49/49/04/446494904.db2.gz DZTMEKFMEHJHOE-HLLBOEOZSA-N 2 0 343.537 1.381 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)ccc1OCC[NH+](C)C ZINC000423337018 446495054 /nfs/dbraw/zinc/49/50/54/446495054.db2.gz HAVSSCYXHLSKAV-ZBFHGGJFSA-N 2 0 349.475 1.640 20 0 EDADRP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333348 446502848 /nfs/dbraw/zinc/50/28/48/446502848.db2.gz SRFXJPWFIBXTFH-CVEARBPZSA-N 2 0 337.508 1.853 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340665 446511167 /nfs/dbraw/zinc/51/11/67/446511167.db2.gz NCWLDGKXUBSEIV-GJZGRUSLSA-N 2 0 347.459 1.964 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418358029 446513224 /nfs/dbraw/zinc/51/32/24/446513224.db2.gz DIDBNWHQNCIPAH-KRWDZBQOSA-N 2 0 340.512 1.646 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325321 446498417 /nfs/dbraw/zinc/49/84/17/446498417.db2.gz IUONEMZSYDCEGE-ZWKOTPCHSA-N 2 0 345.491 1.687 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000418324005 446498509 /nfs/dbraw/zinc/49/85/09/446498509.db2.gz GKWBJVFIYNWTHJ-SJORKVTESA-N 2 0 331.464 1.297 20 0 EDADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000420388702 446562235 /nfs/dbraw/zinc/56/22/35/446562235.db2.gz MHBWFZQUCSHQQE-UHFFFAOYSA-N 2 0 326.828 1.309 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C(C)(C)C ZINC000433372890 446565231 /nfs/dbraw/zinc/56/52/31/446565231.db2.gz BPOZPBHAEJYBNJ-KBPBESRZSA-N 2 0 336.484 1.299 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418494796 446565765 /nfs/dbraw/zinc/56/57/65/446565765.db2.gz SVGLCKWXXQUUPO-BPQIPLTHSA-N 2 0 330.476 1.745 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)ccc1C[NH+](C)C ZINC000411400041 446519279 /nfs/dbraw/zinc/51/92/79/446519279.db2.gz STESFGBJRCJHQQ-UHFFFAOYSA-N 2 0 334.464 1.499 20 0 EDADRP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000420345747 446519599 /nfs/dbraw/zinc/51/95/99/446519599.db2.gz BGAJOFHMNYUEJQ-LJQANCHMSA-N 2 0 344.503 1.552 20 0 EDADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)ccc2o1 ZINC000420345906 446519799 /nfs/dbraw/zinc/51/97/99/446519799.db2.gz BWLNAYYLFFUKMS-INIZCTEOSA-N 2 0 343.427 1.699 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000423409284 446521233 /nfs/dbraw/zinc/52/12/33/446521233.db2.gz BPBKBMDFHVIVEW-FUHWJXTLSA-N 2 0 337.508 1.901 20 0 EDADRP CC(C)(C)OC(=O)NCCOCCN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000375081854 446566872 /nfs/dbraw/zinc/56/68/72/446566872.db2.gz SUMUHROPVWQQEN-MRXNPFEDSA-N 2 0 341.496 1.945 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000418395259 446528210 /nfs/dbraw/zinc/52/82/10/446528210.db2.gz AJADCCPRPHSGHE-MHORFTMASA-N 2 0 330.476 1.888 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418403933 446532585 /nfs/dbraw/zinc/53/25/85/446532585.db2.gz IUBVGOJXDVVWGN-SCTDSRPQSA-N 2 0 346.475 1.050 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000418414311 446535114 /nfs/dbraw/zinc/53/51/14/446535114.db2.gz RMQYIRAHUZNHIO-ZFWWWQNUSA-N 2 0 333.436 1.049 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418413699 446535175 /nfs/dbraw/zinc/53/51/75/446535175.db2.gz SHUIENUUPXILBS-YESZJQIVSA-N 2 0 339.528 1.170 20 0 EDADRP O=C(CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1)N1CC[NH2+]CC1 ZINC000420358050 446537347 /nfs/dbraw/zinc/53/73/47/446537347.db2.gz IXGMKPZNRMUSFS-INIZCTEOSA-N 2 0 337.851 1.615 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433166177 446540066 /nfs/dbraw/zinc/54/00/66/446540066.db2.gz FGRUNMULLYKADG-QGZVFWFLSA-N 3 0 338.540 1.818 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000418457097 446550989 /nfs/dbraw/zinc/55/09/89/446550989.db2.gz GMKHKMUNDXSNQJ-MAUKXSAKSA-N 2 0 348.491 1.598 20 0 EDADRP COCC[NH2+]CCNC(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418501532 446568165 /nfs/dbraw/zinc/56/81/65/446568165.db2.gz RNSSRAKLLSAQCX-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000418537158 446584516 /nfs/dbraw/zinc/58/45/16/446584516.db2.gz JMTJDWFDKZVFIP-IEBWSBKVSA-N 2 0 348.491 1.987 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000420413170 446586810 /nfs/dbraw/zinc/58/68/10/446586810.db2.gz STKVKYTZYBANCR-IBGZPJMESA-N 2 0 344.503 1.622 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418550991 446590333 /nfs/dbraw/zinc/59/03/33/446590333.db2.gz UHROJURXDDFHRR-SFHVURJKSA-N 2 0 333.480 1.545 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000418590078 446604779 /nfs/dbraw/zinc/60/47/79/446604779.db2.gz JHNSKGHLSWLULG-HOTGVXAUSA-N 2 0 326.485 1.256 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000418626944 446620548 /nfs/dbraw/zinc/62/05/48/446620548.db2.gz AHSIUMBOTARQBO-NVXWUHKLSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C[NH+](C)C ZINC000453759725 446641476 /nfs/dbraw/zinc/64/14/76/446641476.db2.gz KDYFJEZHXPCJEQ-DYVFJYSZSA-N 2 0 346.475 1.488 20 0 EDADRP O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423713429 446654793 /nfs/dbraw/zinc/65/47/93/446654793.db2.gz FHCOAQPEYKRFJP-KSZLIROESA-N 2 0 335.492 1.335 20 0 EDADRP COCC[C@]1(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423720717 446659059 /nfs/dbraw/zinc/65/90/59/446659059.db2.gz AVEWTIQEFZWMIB-SFNKJDCFSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000423745313 446675074 /nfs/dbraw/zinc/67/50/74/446675074.db2.gz MENBFNVOCNVLOM-GOSISDBHSA-N 2 0 333.476 1.388 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418628077 446621812 /nfs/dbraw/zinc/62/18/12/446621812.db2.gz OMPUIVGKZYQCTB-VQIMIIECSA-N 2 0 330.476 1.902 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000418756201 446676003 /nfs/dbraw/zinc/67/60/03/446676003.db2.gz YEKBDLUTDCPVTB-HNNXBMFYSA-N 2 0 347.463 1.454 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CCC[NH2+]1 ZINC000418649991 446633428 /nfs/dbraw/zinc/63/34/28/446633428.db2.gz FIBYNFHQLPMFJU-GOSISDBHSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418774492 446693083 /nfs/dbraw/zinc/69/30/83/446693083.db2.gz YSHFIPSGLKAYPY-BBWFWOEESA-N 2 0 340.512 1.565 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000368210798 446712122 /nfs/dbraw/zinc/71/21/22/446712122.db2.gz DOJFQNKULPCQIX-SFHVURJKSA-N 2 0 342.503 1.341 20 0 EDADRP Cc1cc(NC(=O)C2C[NH2+]C2)n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000368167722 446682212 /nfs/dbraw/zinc/68/22/12/446682212.db2.gz NADCWPBDUBZDOL-QGZVFWFLSA-N 2 0 339.443 1.796 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418858040 446756611 /nfs/dbraw/zinc/75/66/11/446756611.db2.gz IJFUHBAFMLHKCW-DLBZAZTESA-N 2 0 346.475 1.011 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC[NH2+]1 ZINC000418897457 446780238 /nfs/dbraw/zinc/78/02/38/446780238.db2.gz HQXDACYSHLGUOZ-GJZGRUSLSA-N 2 0 338.496 1.014 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@H](C)[NH3+] ZINC000423930675 446781340 /nfs/dbraw/zinc/78/13/40/446781340.db2.gz LGRBZXBVHRCMCR-CWLKWCNXSA-N 2 0 349.523 1.881 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C[NH3+])C3CCCC3)c2)CC1 ZINC000423937477 446788859 /nfs/dbraw/zinc/78/88/59/446788859.db2.gz FTZPGNQPYSODSB-IBGZPJMESA-N 2 0 344.503 1.681 20 0 EDADRP Cn1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424078087 446841272 /nfs/dbraw/zinc/84/12/72/446841272.db2.gz PMCLEJIXVASSEA-GDBMZVCRSA-N 2 0 327.432 1.317 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000418993256 446853430 /nfs/dbraw/zinc/85/34/30/446853430.db2.gz ACXGTXBHMYUQQT-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)n1 ZINC000424155181 446859749 /nfs/dbraw/zinc/85/97/49/446859749.db2.gz MIJCVKUJZWDUEM-INIZCTEOSA-N 2 0 335.496 2.461 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424141257 446860000 /nfs/dbraw/zinc/86/00/00/446860000.db2.gz CINYXSDNPOLTQS-KFWWJZLASA-N 2 0 334.468 1.195 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286534 446867443 /nfs/dbraw/zinc/86/74/43/446867443.db2.gz HEGQDYDSOLNLLF-OFQRWUPVSA-N 2 0 339.480 1.154 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)c1 ZINC000424424879 446870954 /nfs/dbraw/zinc/87/09/54/446870954.db2.gz IRUAGEXFTWUTBE-CQSZACIVSA-N 2 0 334.464 1.763 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424453241 446874078 /nfs/dbraw/zinc/87/40/78/446874078.db2.gz JYEXXNAUGMUTLR-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457982 446876940 /nfs/dbraw/zinc/87/69/40/446876940.db2.gz SFYKDHXAVNWLAZ-QGZVFWFLSA-N 2 0 346.475 1.773 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC000368471880 446883597 /nfs/dbraw/zinc/88/35/97/446883597.db2.gz UPIUZBMSJUEOOF-HNSVSWJLSA-N 2 0 333.480 1.811 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCCC[NH+]2CCCCC2)CC1(C)C ZINC000442441220 446895203 /nfs/dbraw/zinc/89/52/03/446895203.db2.gz DXBVDQXLVVZNKN-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000368541360 446933282 /nfs/dbraw/zinc/93/32/82/446933282.db2.gz YQFJPJQNPCICBY-HNNXBMFYSA-N 2 0 337.430 1.792 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419135117 446944737 /nfs/dbraw/zinc/94/47/37/446944737.db2.gz KMPZPSVKQDNVLG-CABCVRRESA-N 2 0 338.496 1.143 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000372108822 447006526 /nfs/dbraw/zinc/00/65/26/447006526.db2.gz UFZCQBXKAQHQQT-LSDHHAIUSA-N 2 0 344.459 1.530 20 0 EDADRP O[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787439 447105888 /nfs/dbraw/zinc/10/58/88/447105888.db2.gz VXQGFBBQEPVBIM-QZTJIDSGSA-N 2 0 328.456 1.600 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[N@H+](CC)C1)CC(C)C ZINC000421232050 447075771 /nfs/dbraw/zinc/07/57/71/447075771.db2.gz KXBAOEIAIXVKEO-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000413224241 447078226 /nfs/dbraw/zinc/07/82/26/447078226.db2.gz FDJOAKLWLPQKEC-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444170478 447086051 /nfs/dbraw/zinc/08/60/51/447086051.db2.gz VCYTVCHLICPSKH-ICSRJNTNSA-N 2 0 327.472 1.809 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372569282 447149718 /nfs/dbraw/zinc/14/97/18/447149718.db2.gz BHZIAHYXBFSIQH-RDJZCZTQSA-N 2 0 329.492 1.893 20 0 EDADRP O=C(CN1CCC(CC[NH+]2CCOCC2)CC1)NCc1ccco1 ZINC000377482492 447153568 /nfs/dbraw/zinc/15/35/68/447153568.db2.gz XIWZBYJERWTWEX-UHFFFAOYSA-N 2 0 335.448 1.330 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000375890133 447125384 /nfs/dbraw/zinc/12/53/84/447125384.db2.gz MHDOXYRWGNKPOJ-OAHLLOKOSA-N 2 0 335.496 1.967 20 0 EDADRP COC(=O)[C@@]1(c2ccccc2)CC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425376430 447131736 /nfs/dbraw/zinc/13/17/36/447131736.db2.gz FCLRUTKHPCTSFF-IBGZPJMESA-N 2 0 342.443 1.803 20 0 EDADRP CSC1(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000377543537 447192528 /nfs/dbraw/zinc/19/25/28/447192528.db2.gz RFOJPHYYGVVFRV-MRXNPFEDSA-N 2 0 327.538 1.609 20 0 EDADRP C[C@H](CCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCCCC1 ZINC000419484636 447214915 /nfs/dbraw/zinc/21/49/15/447214915.db2.gz XFRGJCSZRGYVHU-IXDOHACOSA-N 2 0 340.512 1.347 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419511224 447235010 /nfs/dbraw/zinc/23/50/10/447235010.db2.gz HWBVUKDLGVVKFG-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419589045 447284166 /nfs/dbraw/zinc/28/41/66/447284166.db2.gz OTZJAYQGAKUKOK-CVEARBPZSA-N 2 0 338.496 1.001 20 0 EDADRP CCCN1C[C@H](C[NH2+][C@@H]2CC[N@H+](CCCOCC)C[C@@H]2C)CC1=O ZINC000421886440 447268775 /nfs/dbraw/zinc/26/87/75/447268775.db2.gz RWKRBLYQEBFLKM-OKZBNKHCSA-N 2 0 339.524 1.972 20 0 EDADRP COC[C@@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981852 447455023 /nfs/dbraw/zinc/45/50/23/447455023.db2.gz PRVVKRUTGJNSPA-PKOBYXMFSA-N 2 0 331.460 1.345 20 0 EDADRP CN(C)c1ncccc1CNC(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000372818579 447300864 /nfs/dbraw/zinc/30/08/64/447300864.db2.gz AQTVVZDJWDDHMO-JKSUJKDBSA-N 2 0 347.463 1.200 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000494711242 447456256 /nfs/dbraw/zinc/45/62/56/447456256.db2.gz NWQCGJNJSIHIED-KBPBESRZSA-N 2 0 327.469 1.479 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000426650994 447485848 /nfs/dbraw/zinc/48/58/48/447485848.db2.gz IUQDBBNGHCYJKL-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3COCCO3)CC2)CC1 ZINC000450476493 447502402 /nfs/dbraw/zinc/50/24/02/447502402.db2.gz QAXYVGONKIDHIX-LJQANCHMSA-N 2 0 339.524 1.530 20 0 EDADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390909699 447506211 /nfs/dbraw/zinc/50/62/11/447506211.db2.gz WUOKYGWECWTESY-MRXNPFEDSA-N 2 0 340.427 1.515 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC(C)(C)C[NH+]3CCCC3)ccn2)CC1 ZINC000457058025 447506907 /nfs/dbraw/zinc/50/69/07/447506907.db2.gz VHUDFSPQTOEVAD-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP C[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985263 447508135 /nfs/dbraw/zinc/50/81/35/447508135.db2.gz XNUMFTPEJIZBKF-YJBOKZPZSA-N 2 0 331.460 1.249 20 0 EDADRP CC1(OCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C[NH2+]C1 ZINC000390947832 447508348 /nfs/dbraw/zinc/50/83/48/447508348.db2.gz NQTMXXBFGVDLQE-AYHJJNSGSA-N 2 0 343.471 1.677 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000391493218 447514703 /nfs/dbraw/zinc/51/47/03/447514703.db2.gz FPMXCJBRVZMSDO-KLHKWILBSA-N 2 0 326.481 1.792 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458767957 447474851 /nfs/dbraw/zinc/47/48/51/447474851.db2.gz IWPYAXPTCFRDAI-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+](CC)CC ZINC000427094099 447543210 /nfs/dbraw/zinc/54/32/10/447543210.db2.gz PFWWBPBJTQWKQP-KZNAEPCWSA-N 2 0 339.524 1.991 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000459032920 447545925 /nfs/dbraw/zinc/54/59/25/447545925.db2.gz BQXYPBCYQZXGOS-CGTJXYLNSA-N 2 0 348.491 1.119 20 0 EDADRP CCOC(=O)C[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980875 447554787 /nfs/dbraw/zinc/55/47/87/447554787.db2.gz XDALJDQYXRMCPX-RYQLBKOJSA-N 2 0 334.460 1.801 20 0 EDADRP CN(Cc1cccnc1N)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450773234 447570630 /nfs/dbraw/zinc/57/06/30/447570630.db2.gz ARYBUKMPAXKTNW-IBGZPJMESA-N 2 0 326.444 1.733 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000459163406 447602389 /nfs/dbraw/zinc/60/23/89/447602389.db2.gz LABVKXVQYHFRPU-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457633653 447603789 /nfs/dbraw/zinc/60/37/89/447603789.db2.gz HBKAEOZBDDDVQI-KRWDZBQOSA-N 2 0 339.528 1.138 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000416833862 447693529 /nfs/dbraw/zinc/69/35/29/447693529.db2.gz RNEOHHSWWBQQIY-GXTWGEPZSA-N 2 0 342.390 1.713 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000416832237 447693706 /nfs/dbraw/zinc/69/37/06/447693706.db2.gz VXDVEWOWVCHRMN-WMLDXEAASA-N 2 0 334.464 1.726 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416851949 447697178 /nfs/dbraw/zinc/69/71/78/447697178.db2.gz LXJRGLPBQSHAMP-RHSMWYFYSA-N 2 0 334.464 1.739 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000416807590 447688493 /nfs/dbraw/zinc/68/84/93/447688493.db2.gz HGYZRVAQAHXTLN-HUUCEWRRSA-N 2 0 336.436 1.094 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC(C)(C)C[NH+](C)C ZINC000458118055 447722731 /nfs/dbraw/zinc/72/27/31/447722731.db2.gz VCEFMKGPKNSXSL-UHFFFAOYSA-N 2 0 336.480 1.766 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422720266 447727932 /nfs/dbraw/zinc/72/79/32/447727932.db2.gz ZAUIBGUZLJBCKZ-IBGZPJMESA-N 3 0 334.508 1.278 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CC(C)C)CN(C)C)CC[NH2+]CC1 ZINC000422718505 447728036 /nfs/dbraw/zinc/72/80/36/447728036.db2.gz PVIPKIXDRLCPES-HZPDHXFCSA-N 2 0 327.513 1.874 20 0 EDADRP C[C@@H]1COCCN1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720531 447728049 /nfs/dbraw/zinc/72/80/49/447728049.db2.gz SQGGIQTVMCMVBD-AYBZRNKSSA-N 2 0 331.460 1.553 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000417009154 447730167 /nfs/dbraw/zinc/73/01/67/447730167.db2.gz MXXCWWQMFYINMV-RCCFBDPRSA-N 2 0 336.524 1.994 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458164104 447733123 /nfs/dbraw/zinc/73/31/23/447733123.db2.gz ODSCQFUNYVXVDS-IYBDPMFKSA-N 2 0 340.512 1.347 20 0 EDADRP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000459704966 447745048 /nfs/dbraw/zinc/74/50/48/447745048.db2.gz UHIIBYUHJBVXFL-IPQPSQTFSA-N 2 0 341.459 1.424 20 0 EDADRP C[NH+](C)C1(CN[C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789032 447750534 /nfs/dbraw/zinc/75/05/34/447750534.db2.gz SWJWYGKQYNCHCX-HSALFYBXSA-N 2 0 343.515 1.832 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794085 447751176 /nfs/dbraw/zinc/75/11/76/447751176.db2.gz GHHOJPVQQSXWIX-IFOZYUSPSA-N 2 0 344.858 1.972 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459733023 447754247 /nfs/dbraw/zinc/75/42/47/447754247.db2.gz GEZSJZRRWJJKGX-INIZCTEOSA-N 2 0 336.480 1.885 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(=O)NC)cc2)CC[NH2+]CC1 ZINC000422825899 447761893 /nfs/dbraw/zinc/76/18/93/447761893.db2.gz KPYSHBJVCJWIHA-AWEZNQCLSA-N 2 0 347.459 1.457 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(N[C@H](CCC[NH3+])COC)cc2)CC1 ZINC000422923618 447773720 /nfs/dbraw/zinc/77/37/20/447773720.db2.gz SBQWCZCCZALREB-LJQANCHMSA-N 2 0 334.508 1.990 20 0 EDADRP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000422930394 447775459 /nfs/dbraw/zinc/77/54/59/447775459.db2.gz UDEJNTPGONDMNI-IRXDYDNUSA-N 2 0 335.473 1.677 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422935416 447775946 /nfs/dbraw/zinc/77/59/46/447775946.db2.gz AJPIZJVNGMMXAL-CHWSQXEVSA-N 2 0 327.469 1.201 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422943479 447777528 /nfs/dbraw/zinc/77/75/28/447777528.db2.gz LPMAEQUTEIVNEA-KEYYUXOJSA-N 2 0 339.505 1.976 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1)c1ccccc1 ZINC000451908026 447780210 /nfs/dbraw/zinc/78/02/10/447780210.db2.gz ISXVZIBSYQEJDK-QUCCMNQESA-N 2 0 345.487 1.908 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973894 447784566 /nfs/dbraw/zinc/78/45/66/447784566.db2.gz PVIKPJKYNAIFBS-HHXXYDBFSA-N 2 0 334.460 1.865 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423031872 447794663 /nfs/dbraw/zinc/79/46/63/447794663.db2.gz LMWIFTYUAPHJOQ-AHRSYUTCSA-N 2 0 347.503 1.500 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000471655021 447807684 /nfs/dbraw/zinc/80/76/84/447807684.db2.gz UJLNHFLMVGONEJ-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487580475 447834156 /nfs/dbraw/zinc/83/41/56/447834156.db2.gz ZFKIKDHNQGBAKQ-IRXDYDNUSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H](O)CN1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479648918 447823894 /nfs/dbraw/zinc/82/38/94/447823894.db2.gz QTWMKBWEBHPWSV-DLBZAZTESA-N 2 0 340.512 1.349 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)c1cccc(N3CC[NH+](C)CC3)n1)C2 ZINC000569682335 447865151 /nfs/dbraw/zinc/86/51/51/447865151.db2.gz VUHHEMNIAOGFNO-MQVJKMGUSA-N 2 0 343.475 1.188 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000575743010 447887342 /nfs/dbraw/zinc/88/73/42/447887342.db2.gz PTOXBWLYZWSMTK-RDTXWAMCSA-N 2 0 339.430 1.540 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000496758977 447887815 /nfs/dbraw/zinc/88/78/15/447887815.db2.gz OVVUAIRWNFYSHT-HUUCEWRRSA-N 2 0 329.485 1.678 20 0 EDADRP C[N@H+](CC[C@H]1CCNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000570104532 447947344 /nfs/dbraw/zinc/94/73/44/447947344.db2.gz LBQGMLDESWNCOV-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP CCOC(=O)N1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000496836416 447955289 /nfs/dbraw/zinc/95/52/89/447955289.db2.gz PWMCFGUHADMJGT-IRXDYDNUSA-N 2 0 335.448 1.082 20 0 EDADRP Cc1ncc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1C ZINC000569942627 447925435 /nfs/dbraw/zinc/92/54/35/447925435.db2.gz VZVIWQDYGVUFJE-UHFFFAOYSA-N 2 0 335.496 1.445 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000570381236 447997677 /nfs/dbraw/zinc/99/76/77/447997677.db2.gz KJAMSPUATMIJNI-UHFFFAOYSA-N 2 0 336.411 1.315 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000525603234 448005115 /nfs/dbraw/zinc/00/51/15/448005115.db2.gz ORWIIJBNXIKNQN-SFHVURJKSA-N 2 0 348.491 1.378 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[NH+]2CCCC2)CC1 ZINC000496891175 448008884 /nfs/dbraw/zinc/00/88/84/448008884.db2.gz HDXNHXVRSQSSON-ZDUSSCGKSA-N 2 0 325.457 1.206 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531061754 448011565 /nfs/dbraw/zinc/01/15/65/448011565.db2.gz ZKVSIQFNZBPGLF-HXUWFJFHSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@H](CNC(=O)C[C@H]1CN(Cc2ccccc2)CCO1)[NH+]1CCCC1 ZINC000525748529 448019772 /nfs/dbraw/zinc/01/97/72/448019772.db2.gz IQGQTWCVDUWRDO-MJGOQNOKSA-N 2 0 345.487 1.878 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000576460834 448060977 /nfs/dbraw/zinc/06/09/77/448060977.db2.gz YYSULAWWWOZVEL-OALUTQOASA-N 2 0 337.483 1.591 20 0 EDADRP C[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000570634973 448039588 /nfs/dbraw/zinc/03/95/88/448039588.db2.gz QOFXRPKROXWOGD-KFWWJZLASA-N 2 0 334.468 1.023 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297370 448056295 /nfs/dbraw/zinc/05/62/95/448056295.db2.gz PRSAHMPWEDYRNK-LPHOPBHVSA-N 2 0 331.460 1.081 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](CNc2cc(NC[C@H]3CCC[C@H]([NH3+])C3)ncn2)C1 ZINC000570739938 448058738 /nfs/dbraw/zinc/05/87/38/448058738.db2.gz GRMPUONERDPPHZ-YHUYYLMFSA-N 2 0 332.496 2.335 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(COC(C)(C)C)c2)CC1 ZINC000576576499 448087480 /nfs/dbraw/zinc/08/74/80/448087480.db2.gz FDZURWNRFIATHF-IBGZPJMESA-N 2 0 349.519 1.700 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000502754598 448105900 /nfs/dbraw/zinc/10/59/00/448105900.db2.gz BYJDWCXPWNHZOU-QZWWFDLISA-N 2 0 338.496 1.364 20 0 EDADRP CN1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000570784849 448063120 /nfs/dbraw/zinc/06/31/20/448063120.db2.gz ZBWOMJJXMLPNSH-CVEARBPZSA-N 2 0 349.479 1.091 20 0 EDADRP CC[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000556723870 448145424 /nfs/dbraw/zinc/14/54/24/448145424.db2.gz BZRMOXCOSGMWMB-CEXWTWQISA-N 2 0 345.487 1.734 20 0 EDADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@H](C[NH3+])C1 ZINC000514662760 448181451 /nfs/dbraw/zinc/18/14/51/448181451.db2.gz AZTAXJOLEOMBOF-JHJVBQTASA-N 2 0 336.402 1.639 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)C[C@H](C)O1 ZINC000514783795 448201701 /nfs/dbraw/zinc/20/17/01/448201701.db2.gz BDJRQUWAMZWFAU-GASCZTMLSA-N 2 0 338.496 1.483 20 0 EDADRP CN1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)c2ccccc2C1 ZINC000571892465 448228755 /nfs/dbraw/zinc/22/87/55/448228755.db2.gz IQOHPKVOBRZJSI-UHFFFAOYSA-N 2 0 327.432 1.537 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000571895390 448229935 /nfs/dbraw/zinc/22/99/35/448229935.db2.gz DXJZDBDZEYRWQS-ZWKOTPCHSA-N 2 0 330.476 1.684 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H]1c1cccc(F)c1 ZINC000582457525 448241956 /nfs/dbraw/zinc/24/19/56/448241956.db2.gz UBABSIFICHSCGE-IRXDYDNUSA-N 2 0 336.455 1.816 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC(C)(C)[C@H]2c2nccn2C)CC1 ZINC000515209224 448275117 /nfs/dbraw/zinc/27/51/17/448275117.db2.gz MTCWFPAEFYGHOE-OAHLLOKOSA-N 2 0 349.479 1.623 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000577269284 448251938 /nfs/dbraw/zinc/25/19/38/448251938.db2.gz PTDYRBLTRUJQBK-CVEARBPZSA-N 2 0 338.496 1.258 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577384567 448283752 /nfs/dbraw/zinc/28/37/52/448283752.db2.gz CFMRRSRYQYBCBB-MOPGFXCFSA-N 2 0 347.503 1.982 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000515350075 448294930 /nfs/dbraw/zinc/29/49/30/448294930.db2.gz ZETWCAAKYFFYKK-FQEVSTJZSA-N 2 0 344.503 1.062 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577720839 448366955 /nfs/dbraw/zinc/36/69/55/448366955.db2.gz SYTIZZIHKRHYCC-AWEZNQCLSA-N 2 0 344.459 1.071 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000583018100 448404100 /nfs/dbraw/zinc/40/41/00/448404100.db2.gz XRAGUBGBFFRPRK-HNNXBMFYSA-N 2 0 340.512 1.205 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963550 448428725 /nfs/dbraw/zinc/42/87/25/448428725.db2.gz DWPRPYMQEISLNY-CHWSQXEVSA-N 2 0 345.896 1.868 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000516751358 448467029 /nfs/dbraw/zinc/46/70/29/448467029.db2.gz NMNVLLDAEQJSBS-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000572855361 448482264 /nfs/dbraw/zinc/48/22/64/448482264.db2.gz NWPXTGGAQIGMSM-BPQIPLTHSA-N 2 0 346.475 1.185 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000572855469 448482482 /nfs/dbraw/zinc/48/24/82/448482482.db2.gz ZQJLWOBXDYSYJU-KBPBESRZSA-N 2 0 336.505 1.794 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccccc3Cl)C2)CC1 ZINC000572870308 448486230 /nfs/dbraw/zinc/48/62/30/448486230.db2.gz KKOHEOVXVDDKNP-BZUAXINKSA-N 2 0 337.895 1.784 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865129 448508711 /nfs/dbraw/zinc/50/87/11/448508711.db2.gz GTKPUOATGQDCEV-CQSZACIVSA-N 2 0 325.403 1.807 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000584406480 448513977 /nfs/dbraw/zinc/51/39/77/448513977.db2.gz KDTZDBMIXWRFLQ-QFBILLFUSA-N 2 0 348.487 1.855 20 0 EDADRP CN1CCN([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cccs2)CC1 ZINC000572989782 448516448 /nfs/dbraw/zinc/51/64/48/448516448.db2.gz KXIFRCVKMGDNSV-FCLJQHQZSA-N 2 0 334.533 1.909 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982548 448517749 /nfs/dbraw/zinc/51/77/49/448517749.db2.gz JRMZWOXRQAXEPH-MRXNPFEDSA-N 2 0 331.526 1.320 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572999019 448519238 /nfs/dbraw/zinc/51/92/38/448519238.db2.gz ANPGMVVZXQLGJW-BVGQSLNGSA-N 2 0 328.460 1.737 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000578499783 448560570 /nfs/dbraw/zinc/56/05/70/448560570.db2.gz ZQPRYNBZKLNABF-WMZOPIPTSA-N 2 0 335.517 1.215 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470478 448539068 /nfs/dbraw/zinc/53/90/68/448539068.db2.gz BZZJUAAOJAAIHH-RTWAWAEBSA-N 2 0 342.531 1.878 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@H]3CN(CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470476 448539269 /nfs/dbraw/zinc/53/92/69/448539269.db2.gz BZZJUAAOJAAIHH-LEWJYISDSA-N 2 0 342.531 1.878 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000578425175 448540537 /nfs/dbraw/zinc/54/05/37/448540537.db2.gz PFBRZJGOSVTOHR-IAGOWNOFSA-N 2 0 346.475 1.520 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000578425176 448541210 /nfs/dbraw/zinc/54/12/10/448541210.db2.gz PFBRZJGOSVTOHR-IRXDYDNUSA-N 2 0 346.475 1.520 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000517646904 448601842 /nfs/dbraw/zinc/60/18/42/448601842.db2.gz JIUFRAMDCLUXDD-QGZVFWFLSA-N 2 0 336.524 1.537 20 0 EDADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000573336315 448602544 /nfs/dbraw/zinc/60/25/44/448602544.db2.gz LWTCYQOKJIAEAN-HZPDHXFCSA-N 2 0 325.522 1.757 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528702287 448638291 /nfs/dbraw/zinc/63/82/91/448638291.db2.gz APXIAVTXNUQSCK-MRXNPFEDSA-N 2 0 348.447 1.137 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000573578149 448664522 /nfs/dbraw/zinc/66/45/22/448664522.db2.gz HNVJRYKEHISBGB-SJORKVTESA-N 2 0 339.505 1.874 20 0 EDADRP Cc1ncncc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000573697498 448693593 /nfs/dbraw/zinc/69/35/93/448693593.db2.gz SPENQFSZIMALFY-OAHLLOKOSA-N 2 0 333.480 1.232 20 0 EDADRP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000518765184 448707967 /nfs/dbraw/zinc/70/79/67/448707967.db2.gz OAWLJWBSAXBYCQ-WMZOPIPTSA-N 2 0 346.519 1.712 20 0 EDADRP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)NC(=O)Nc1ccccc1 ZINC000518771507 448708982 /nfs/dbraw/zinc/70/89/82/448708982.db2.gz VAMXZUYHEFGKOQ-GOSISDBHSA-N 2 0 330.432 1.800 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000518979999 448728804 /nfs/dbraw/zinc/72/88/04/448728804.db2.gz YVHPFAGTXJMBNS-XHSDSOJGSA-N 2 0 348.491 1.255 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000519407575 448768237 /nfs/dbraw/zinc/76/82/37/448768237.db2.gz PSRNDMJLGJFNIG-IAGOWNOFSA-N 2 0 345.491 1.309 20 0 EDADRP COC[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000568078381 448812113 /nfs/dbraw/zinc/81/21/13/448812113.db2.gz PMPPFYBALOJJTM-RBUKOAKNSA-N 2 0 348.487 1.512 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000519601244 448797507 /nfs/dbraw/zinc/79/75/07/448797507.db2.gz OHSDRENSVRZVJI-UHFFFAOYSA-N 2 0 326.444 1.858 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@@]3(O)CC[N@H+](C)C3)ccc21 ZINC000579560071 448819947 /nfs/dbraw/zinc/81/99/47/448819947.db2.gz GMPLLTOXBRTIKJ-WMZOPIPTSA-N 2 0 332.448 1.424 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)CC1 ZINC000579588278 448828036 /nfs/dbraw/zinc/82/80/36/448828036.db2.gz HCKANDOBBPFBCD-APWZRJJASA-N 2 0 344.503 1.947 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC(O)C1 ZINC000546800569 448851859 /nfs/dbraw/zinc/85/18/59/448851859.db2.gz NHNAAGIAUOWICH-MNNVXMFVSA-N 2 0 345.487 1.611 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)N(C)C3CC([NH3+])C3)CC2)oc1C ZINC000579691739 448853969 /nfs/dbraw/zinc/85/39/69/448853969.db2.gz BVNYJJPQVPXSOM-UHFFFAOYSA-N 2 0 349.479 1.635 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000579734729 448869256 /nfs/dbraw/zinc/86/92/56/448869256.db2.gz MTALQPPOIFGMCS-AWEZNQCLSA-N 2 0 344.459 1.465 20 0 EDADRP C[N@@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1(C)C ZINC000568652338 448903892 /nfs/dbraw/zinc/90/38/92/448903892.db2.gz PQWFOUOEQOXLTH-HNNXBMFYSA-N 2 0 325.522 1.757 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1cnn3c1[C@H](C[NH3+])CCC3)CC[NH2+]CC2 ZINC000592568912 448905503 /nfs/dbraw/zinc/90/55/03/448905503.db2.gz QKOHTTXSLSITQK-KGLIPLIRSA-N 2 0 331.464 1.323 20 0 EDADRP NC(=O)CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000520569003 448910106 /nfs/dbraw/zinc/91/01/06/448910106.db2.gz OXSOZEKTKQZUCJ-KRWDZBQOSA-N 2 0 331.460 1.380 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)nc1 ZINC000569110948 448963526 /nfs/dbraw/zinc/96/35/26/448963526.db2.gz KCGVLXAYQDGKQX-DLBZAZTESA-N 2 0 346.475 1.686 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[NH3+])CC1 ZINC000574881563 448979058 /nfs/dbraw/zinc/97/90/58/448979058.db2.gz GEWPXULJWVECPC-ZDUSSCGKSA-N 2 0 333.432 1.846 20 0 EDADRP CCO[C@@H]1CCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000568958836 448943742 /nfs/dbraw/zinc/94/37/42/448943742.db2.gz SPBQUXYLICADLM-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575023491 449015755 /nfs/dbraw/zinc/01/57/55/449015755.db2.gz JSSCKCFRJHPGQR-DZGCQCFKSA-N 2 0 331.464 1.894 20 0 EDADRP CCc1nc(C)c([C@H](C)N(C)C[C@H](O)C[N@H+](C)CCOC)s1 ZINC000575076006 449031054 /nfs/dbraw/zinc/03/10/54/449031054.db2.gz VYUIUSLWYINXOS-UONOGXRCSA-N 2 0 329.510 1.946 20 0 EDADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000582354400 449071085 /nfs/dbraw/zinc/07/10/85/449071085.db2.gz FHTOBBTWXVEHBB-ZDUSSCGKSA-N 2 0 327.375 1.761 20 0 EDADRP C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000592956106 449076756 /nfs/dbraw/zinc/07/67/56/449076756.db2.gz DJQVHFYMTRYPPT-ILXRZTDVSA-N 2 0 333.480 1.712 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000522402706 449080393 /nfs/dbraw/zinc/08/03/93/449080393.db2.gz GNIMTAQGIOXFGP-OAHLLOKOSA-N 2 0 326.485 1.127 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)n1cccn1 ZINC000530214306 449083867 /nfs/dbraw/zinc/08/38/67/449083867.db2.gz XHEFBMJXEJUPJG-FQUUOJAGSA-N 2 0 332.370 1.733 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000582303882 449062211 /nfs/dbraw/zinc/06/22/11/449062211.db2.gz RNZMATQVMQIAJJ-VNQPRFMTSA-N 2 0 344.459 1.178 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530277513 449101817 /nfs/dbraw/zinc/10/18/17/449101817.db2.gz WBWKMFCFJYZBPK-ROUUACIJSA-N 2 0 337.508 1.913 20 0 EDADRP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000600136597 449209654 /nfs/dbraw/zinc/20/96/54/449209654.db2.gz PVACJBOVCQMJNJ-OAGGEKHMSA-N 2 0 342.528 1.170 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](C(C)(C)CO)CC2)c1 ZINC000604420770 449229310 /nfs/dbraw/zinc/22/93/10/449229310.db2.gz CYANALNHLKZRMG-UHFFFAOYSA-N 2 0 334.464 1.669 20 0 EDADRP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893082 449237401 /nfs/dbraw/zinc/23/74/01/449237401.db2.gz OVUMDEMKDUVJRY-DOTOQJQBSA-N 2 0 332.444 1.819 20 0 EDADRP COC(=O)CCN1CCC[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895725 449238351 /nfs/dbraw/zinc/23/83/51/449238351.db2.gz TYIBKJMZECPTLJ-HOTGVXAUSA-N 2 0 337.464 1.005 20 0 EDADRP O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000611740251 449403137 /nfs/dbraw/zinc/40/31/37/449403137.db2.gz LGOQBIDZENLNPY-OAHLLOKOSA-N 2 0 346.475 1.618 20 0 EDADRP C[C@@H](C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000614445439 449614268 /nfs/dbraw/zinc/61/42/68/449614268.db2.gz FZSYUUBOBPIOCW-GOEBONIOSA-N 2 0 327.513 1.656 20 0 EDADRP C[S@](=O)C1(C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000602471195 449616811 /nfs/dbraw/zinc/61/68/11/449616811.db2.gz JTHPAAFJZJJUIN-QHCPKHFHSA-N 2 0 343.537 1.260 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583913 449686678 /nfs/dbraw/zinc/68/66/78/449686678.db2.gz VODPADLNLAUMLX-XIRDDKMYSA-N 2 0 347.459 1.151 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000601254226 449776489 /nfs/dbraw/zinc/77/64/89/449776489.db2.gz MFBHIXCOIKOIQM-OAHLLOKOSA-N 2 0 333.480 1.934 20 0 EDADRP [NH3+][C@H]1C[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875138 449789885 /nfs/dbraw/zinc/78/98/85/449789885.db2.gz XHYDSVMAAUTUMB-GJZGRUSLSA-N 2 0 341.377 1.882 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000617702357 449750061 /nfs/dbraw/zinc/75/00/61/449750061.db2.gz NRIGPYWJVZUMEN-SFHVURJKSA-N 2 0 331.460 1.354 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CCO)CC2)([NH+](C)C)C1 ZINC000601270423 449789399 /nfs/dbraw/zinc/78/93/99/449789399.db2.gz QXIBGKIVWQQQPM-MAUKXSAKSA-N 2 0 340.512 1.253 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000594940605 449814804 /nfs/dbraw/zinc/81/48/04/449814804.db2.gz PBXXODBRYGAZHK-MDASCCDHSA-N 2 0 346.471 1.931 20 0 EDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000595033432 449845992 /nfs/dbraw/zinc/84/59/92/449845992.db2.gz QILDWUSHFGXVAN-JKSUJKDBSA-N 2 0 327.513 1.970 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000601330269 449838155 /nfs/dbraw/zinc/83/81/55/449838155.db2.gz SSHFSZZFFROWJZ-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP COC(=O)[C@@H]1C[N@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000602845992 449853373 /nfs/dbraw/zinc/85/33/73/449853373.db2.gz OCHSYXUUJUVTDC-SZVBFZGTSA-N 2 0 332.444 1.364 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)[C@H]1CCCN1Cc1ccccn1 ZINC000608763714 449930740 /nfs/dbraw/zinc/93/07/40/449930740.db2.gz RGYRRPBFENXYQK-FGTMMUONSA-N 2 0 328.460 1.789 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081177 449942287 /nfs/dbraw/zinc/94/22/87/449942287.db2.gz YYYXWKOMBUPQFU-QYZOEREBSA-N 2 0 345.487 1.074 20 0 EDADRP CN1CCN(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000612939892 449947609 /nfs/dbraw/zinc/94/76/09/449947609.db2.gz DMPNNKTVZFWBLC-QFBILLFUSA-N 2 0 330.476 1.639 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964572 449960282 /nfs/dbraw/zinc/96/02/82/449960282.db2.gz RMOGQXJXIBCQHM-IAGOWNOFSA-N 2 0 330.476 1.601 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOCc3ccc(OC)cc3)C2)CC1 ZINC000609396779 450024271 /nfs/dbraw/zinc/02/42/71/450024271.db2.gz HHMMGCMKGIBTSH-LJQANCHMSA-N 2 0 347.503 1.924 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCOC2CCOCC2)[C@@H](C)C1 ZINC000625333379 450298761 /nfs/dbraw/zinc/29/87/61/450298761.db2.gz XSVSUXOIGYJJSY-FUHWJXTLSA-N 2 0 328.497 1.909 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000619326093 450460169 /nfs/dbraw/zinc/46/01/69/450460169.db2.gz ICBMEMXNJSATDU-GDZNZVCISA-N 2 0 346.475 1.629 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623357030 450505006 /nfs/dbraw/zinc/50/50/06/450505006.db2.gz VZYXVYWIJSAVSL-UHFFFAOYSA-N 2 0 346.454 1.524 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000625883667 450527395 /nfs/dbraw/zinc/52/73/95/450527395.db2.gz LISCZBHUXHSRGH-OAHLLOKOSA-N 2 0 334.468 1.612 20 0 EDADRP Cc1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c(C)n1 ZINC000633019418 450614178 /nfs/dbraw/zinc/61/41/78/450614178.db2.gz FJYDQCGTJXEABG-MRXNPFEDSA-N 2 0 340.427 1.713 20 0 EDADRP CSC[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000187875306 533716747 /nfs/dbraw/zinc/71/67/47/533716747.db2.gz PSMFWIMPMGPFPD-SFHVURJKSA-N 2 0 337.533 1.460 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000627350737 450667271 /nfs/dbraw/zinc/66/72/71/450667271.db2.gz ANMPNMUFBKXUFM-CQSZACIVSA-N 2 0 340.493 1.054 20 0 EDADRP [NH3+]C[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629561672 450737108 /nfs/dbraw/zinc/73/71/08/450737108.db2.gz IYQYDWPTHSFTDN-FZKCQIBNSA-N 2 0 345.409 1.376 20 0 EDADRP C[NH+](C)[C@H](CNC[C@@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629566441 450739381 /nfs/dbraw/zinc/73/93/81/450739381.db2.gz SMUATHHCFRWRBQ-IAGOWNOFSA-N 2 0 325.884 1.989 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000633266544 450765188 /nfs/dbraw/zinc/76/51/88/450765188.db2.gz SOBGIYBVHQSCIO-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000631861340 450831617 /nfs/dbraw/zinc/83/16/17/450831617.db2.gz ZJJBFQSYLBVATJ-HOCLYGCPSA-N 2 0 348.516 1.595 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)ccc21 ZINC000621684491 450832118 /nfs/dbraw/zinc/83/21/18/450832118.db2.gz NFCVDCDQCAMMDZ-LPHOPBHVSA-N 2 0 326.444 1.944 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635334592 450859229 /nfs/dbraw/zinc/85/92/29/450859229.db2.gz IMUIQVRXQXWSLJ-CQSZACIVSA-N 2 0 334.464 1.647 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH+]2CCCOCC2)CC1)[C@@H]1CCSC1 ZINC000627741218 450913415 /nfs/dbraw/zinc/91/34/15/450913415.db2.gz XHJKMJWHVZOYKR-MRXNPFEDSA-N 2 0 341.521 1.137 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012683 450967058 /nfs/dbraw/zinc/96/70/58/450967058.db2.gz WDKYYMWWAIHIBN-CRAIPNDOSA-N 2 0 345.491 1.534 20 0 EDADRP C[NH+](C)C1CC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000622009756 450985062 /nfs/dbraw/zinc/98/50/62/450985062.db2.gz JGLZLQCZJNSNMD-UHFFFAOYSA-N 2 0 344.503 1.798 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1C[NH+](C)C ZINC000626892887 450989376 /nfs/dbraw/zinc/98/93/76/450989376.db2.gz IXLUXUDMKHGKCY-XJKSGUPXSA-N 2 0 332.448 1.252 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626935063 451017908 /nfs/dbraw/zinc/01/79/08/451017908.db2.gz WMWJCQOQVDNENZ-CRAIPNDOSA-N 2 0 330.476 1.875 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000626939415 451020094 /nfs/dbraw/zinc/02/00/94/451020094.db2.gz CADUNTDEADSJES-UHFFFAOYSA-N 2 0 344.525 1.013 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000626955169 451032425 /nfs/dbraw/zinc/03/24/25/451032425.db2.gz WIKLWIHUVRTKQI-CQSZACIVSA-N 2 0 338.452 1.470 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627005918 451070624 /nfs/dbraw/zinc/07/06/24/451070624.db2.gz NXGBGKPZIFUOPR-SJORKVTESA-N 2 0 334.464 1.309 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000635572557 451072394 /nfs/dbraw/zinc/07/23/94/451072394.db2.gz LTTDSPVBDCUDRQ-CVEARBPZSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[N@H+](C)CC(C)(C)C ZINC000635587651 451085973 /nfs/dbraw/zinc/08/59/73/451085973.db2.gz VUWIQXVHTLTGBE-UHFFFAOYSA-N 2 0 334.464 1.764 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000627033345 451091327 /nfs/dbraw/zinc/09/13/27/451091327.db2.gz HKJXIHKYIYERHA-RDJZCZTQSA-N 2 0 336.480 1.651 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000627099777 451123344 /nfs/dbraw/zinc/12/33/44/451123344.db2.gz XFORFFZSFYXFCH-AETAKHFUSA-N 2 0 348.466 1.959 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635638951 451126606 /nfs/dbraw/zinc/12/66/06/451126606.db2.gz CUHKRJIFTVXASD-MRXNPFEDSA-N 2 0 327.513 1.924 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000627176450 451165991 /nfs/dbraw/zinc/16/59/91/451165991.db2.gz UZJTVIRJCINXEU-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000627204784 451185961 /nfs/dbraw/zinc/18/59/61/451185961.db2.gz FRSKVEYEBIDQGV-LXZKKBNFSA-N 2 0 334.464 1.738 20 0 EDADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000627214916 451191184 /nfs/dbraw/zinc/19/11/84/451191184.db2.gz APLABQSUZAYBBX-SJORKVTESA-N 2 0 348.491 1.656 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cn1 ZINC000630464966 451205223 /nfs/dbraw/zinc/20/52/23/451205223.db2.gz PJXJRZWPXTZVRK-AWEZNQCLSA-N 2 0 335.477 1.539 20 0 EDADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CCSC1 ZINC000628544387 451285424 /nfs/dbraw/zinc/28/54/24/451285424.db2.gz JEONIJGBYDPKEI-CVEARBPZSA-N 2 0 325.522 1.947 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000638132377 451304196 /nfs/dbraw/zinc/30/41/96/451304196.db2.gz HJJSROMPQGDCAM-HOCLYGCPSA-N 2 0 325.840 1.437 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](OC)C2CCOCC2)C1 ZINC000638135662 451308426 /nfs/dbraw/zinc/30/84/26/451308426.db2.gz VQGSGLGNVUSCFW-MSOLQXFVSA-N 2 0 328.497 1.861 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000638137378 451310323 /nfs/dbraw/zinc/31/03/23/451310323.db2.gz JOQARTONMOLWGU-FUHWJXTLSA-N 2 0 332.492 1.479 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638139279 451314879 /nfs/dbraw/zinc/31/48/79/451314879.db2.gz LHIHATYYYXGDOP-RDJZCZTQSA-N 2 0 328.460 1.361 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638143581 451318462 /nfs/dbraw/zinc/31/84/62/451318462.db2.gz IKPRVLKVNZINCU-IEBWSBKVSA-N 2 0 327.472 1.865 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC3(C)CC[NH2+]CC3)ccc2[nH]c1=O ZINC000638207858 451355966 /nfs/dbraw/zinc/35/59/66/451355966.db2.gz PVPMOGBSHHITPS-UHFFFAOYSA-N 2 0 345.447 1.175 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000632513674 451358515 /nfs/dbraw/zinc/35/85/15/451358515.db2.gz KRFLKFIMWOAVCS-KRWDZBQOSA-N 2 0 339.505 1.522 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246229 451379367 /nfs/dbraw/zinc/37/93/67/451379367.db2.gz CDCXBUJQSQULQS-QGZVFWFLSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638252580 451381455 /nfs/dbraw/zinc/38/14/55/451381455.db2.gz UIOUPNXTJATLQC-MRXNPFEDSA-N 2 0 332.492 1.614 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640481699 451340145 /nfs/dbraw/zinc/34/01/45/451340145.db2.gz NNPLCBUMUSEFGC-WRWLIDTKSA-N 2 0 343.471 1.222 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CC(C)(C)N1CCOCC1 ZINC000638180756 451341839 /nfs/dbraw/zinc/34/18/39/451341839.db2.gz KMZYLWOQPMCCBT-ZACQAIPSSA-N 2 0 325.497 1.281 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000628751497 451399004 /nfs/dbraw/zinc/39/90/04/451399004.db2.gz RPOYTVPWMOAOQN-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@]1(c2nc(-c3ccc(CN4CCOCC4)cc3)no2)C[NH2+]CCO1 ZINC000634554568 451403868 /nfs/dbraw/zinc/40/38/68/451403868.db2.gz FPWJBHYWKAZXIL-SFHVURJKSA-N 2 0 344.415 1.404 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)Nc2cc(C[NH+](C)C)ccn2)C[C@@H](C)O1 ZINC000640556781 451403944 /nfs/dbraw/zinc/40/39/44/451403944.db2.gz GIAQJIKDXQZIFP-HUUCEWRRSA-N 2 0 349.479 1.764 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640570992 451416367 /nfs/dbraw/zinc/41/63/67/451416367.db2.gz AURNZBMFQZNLIU-CQSZACIVSA-N 2 0 349.479 1.452 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638308371 451423171 /nfs/dbraw/zinc/42/31/71/451423171.db2.gz NDVZBFZUDXYFIK-CAIZAGQASA-N 2 0 345.487 1.780 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000638350721 451451873 /nfs/dbraw/zinc/45/18/73/451451873.db2.gz ADMYOMIEVJXOOS-QZTJIDSGSA-N 2 0 345.487 1.802 20 0 EDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688400 451465572 /nfs/dbraw/zinc/46/55/72/451465572.db2.gz RCJVUINFONMDBP-OAGGEKHMSA-N 2 0 333.480 1.566 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638405966 451494773 /nfs/dbraw/zinc/49/47/73/451494773.db2.gz HTDBCVZNMUWMSB-QZTJIDSGSA-N 2 0 333.476 1.633 20 0 EDADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)cc1 ZINC000634711827 451490830 /nfs/dbraw/zinc/49/08/30/451490830.db2.gz VFGDCVBJLRWCCD-GOSISDBHSA-N 2 0 336.476 1.173 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000636108916 451520551 /nfs/dbraw/zinc/52/05/51/451520551.db2.gz XZIVUBUZUGPKOR-UHFFFAOYSA-N 2 0 345.487 1.484 20 0 EDADRP COCCc1ncc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)s1 ZINC000631039450 451546852 /nfs/dbraw/zinc/54/68/52/451546852.db2.gz VGCYONHESDIWAD-UHFFFAOYSA-N 2 0 326.510 1.448 20 0 EDADRP CCN1CCOC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000636855454 451557053 /nfs/dbraw/zinc/55/70/53/451557053.db2.gz YXPYDPJYHKEYOZ-KRWDZBQOSA-N 2 0 337.439 1.437 20 0 EDADRP COCC1(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000638530033 451561226 /nfs/dbraw/zinc/56/12/26/451561226.db2.gz PJPWWZQCBMNSCX-UHFFFAOYSA-N 2 0 347.507 1.785 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]CCC3CCOCC3)CC2)nc1 ZINC000638530860 451561345 /nfs/dbraw/zinc/56/13/45/451561345.db2.gz YINLAHLPOHINMK-UHFFFAOYSA-N 2 0 347.507 1.785 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638570738 451582346 /nfs/dbraw/zinc/58/23/46/451582346.db2.gz GTWLHERPVDDBIA-QZTJIDSGSA-N 2 0 344.503 1.690 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000636883086 451580077 /nfs/dbraw/zinc/58/00/77/451580077.db2.gz NHCRYNYDWNGODR-KRWDZBQOSA-N 2 0 338.496 1.149 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1 ZINC000634967210 451627695 /nfs/dbraw/zinc/62/76/95/451627695.db2.gz IQWKOVGJIBKQTQ-QGZVFWFLSA-N 2 0 331.460 1.402 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638653522 451633162 /nfs/dbraw/zinc/63/31/62/451633162.db2.gz LITZYJJDFXJFFI-DOTOQJQBSA-N 2 0 339.528 1.314 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672527 451643779 /nfs/dbraw/zinc/64/37/79/451643779.db2.gz VFUNDQCDAMETTO-GMBSWORKSA-N 2 0 345.443 1.640 20 0 EDADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000631222868 451648461 /nfs/dbraw/zinc/64/84/61/451648461.db2.gz VXYKXOJTPZGUGG-INIZCTEOSA-N 2 0 343.475 1.695 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638766312 451683486 /nfs/dbraw/zinc/68/34/86/451683486.db2.gz QTKYYMQFZRJJRC-DOTOQJQBSA-N 2 0 330.476 1.237 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000638763835 451683576 /nfs/dbraw/zinc/68/35/76/451683576.db2.gz JTEPLHOMTNLLNT-OAHLLOKOSA-N 2 0 336.455 1.624 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638835519 451705216 /nfs/dbraw/zinc/70/52/16/451705216.db2.gz MECAWRLEZOAYSQ-NXHRZFHOSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638834743 451705594 /nfs/dbraw/zinc/70/55/94/451705594.db2.gz IAGJJZSRVOELKA-WBVHZDCISA-N 2 0 331.460 1.249 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851555 451710250 /nfs/dbraw/zinc/71/02/50/451710250.db2.gz OMQDJLKNUFWFSL-KSZLIROESA-N 2 0 331.460 1.664 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000638862302 451713782 /nfs/dbraw/zinc/71/37/82/451713782.db2.gz RIZNTJVLLHQSOX-ALOPSCKCSA-N 2 0 347.503 1.668 20 0 EDADRP CC(C)(C)[C@H]([NH3+])c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641003547 451726837 /nfs/dbraw/zinc/72/68/37/451726837.db2.gz MLBHTVCKCJEXAD-MRXNPFEDSA-N 2 0 334.468 1.067 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638936844 451739857 /nfs/dbraw/zinc/73/98/57/451739857.db2.gz SCNCIVFJVIZMOL-DLBZAZTESA-N 2 0 330.476 1.537 20 0 EDADRP C[NH+]1CCC(C)(C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638957682 451742684 /nfs/dbraw/zinc/74/26/84/451742684.db2.gz KRXPOOXALZBHLG-UHFFFAOYSA-N 2 0 331.526 1.558 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638981697 451745404 /nfs/dbraw/zinc/74/54/04/451745404.db2.gz XHWMCEFQUWDKRO-GOSISDBHSA-N 2 0 346.519 1.779 20 0 EDADRP O=C(Cn1cnc2ccccc21)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986053 451746694 /nfs/dbraw/zinc/74/66/94/451746694.db2.gz SQXJRQKHHBENQI-UHFFFAOYSA-N 2 0 336.399 1.480 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987737 451748208 /nfs/dbraw/zinc/74/82/08/451748208.db2.gz XTUDEEYEMRWMQW-INIZCTEOSA-N 3 0 325.416 1.172 20 0 EDADRP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001404 451750282 /nfs/dbraw/zinc/75/02/82/451750282.db2.gz KXLNYZCRVGCVKJ-AZUAARDMSA-N 2 0 345.487 1.844 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c2ccccc21 ZINC000639065326 451760901 /nfs/dbraw/zinc/76/09/01/451760901.db2.gz OZWCJRVYPMJKDZ-UONOGXRCSA-N 2 0 340.431 1.295 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000639107099 451769150 /nfs/dbraw/zinc/76/91/50/451769150.db2.gz PDBLDTZXMLERAC-UHFFFAOYSA-N 2 0 330.366 1.728 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H](OC)C1CCOCC1 ZINC000639171023 451784198 /nfs/dbraw/zinc/78/41/98/451784198.db2.gz OJHXZWXKRLIEAD-OALUTQOASA-N 2 0 341.540 1.776 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639170318 451784693 /nfs/dbraw/zinc/78/46/93/451784693.db2.gz SUTOHLSPNPEJBB-CQSZACIVSA-N 2 0 331.526 1.557 20 0 EDADRP COc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(Cl)cc1O ZINC000639173488 451785055 /nfs/dbraw/zinc/78/50/55/451785055.db2.gz ZIJYQKWEAQTUIC-UHFFFAOYSA-N 2 0 329.872 1.979 20 0 EDADRP Cc1ncc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(C)n1 ZINC000639261985 451800348 /nfs/dbraw/zinc/80/03/48/451800348.db2.gz UMPOEVVPRGIVTC-HNNXBMFYSA-N 2 0 347.507 1.541 20 0 EDADRP CCOC1CC(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000639260707 451800382 /nfs/dbraw/zinc/80/03/82/451800382.db2.gz CUNQSZBRLAYUMJ-UHFFFAOYSA-N 2 0 325.497 1.188 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCC(=O)Nc1ccccc1 ZINC000644525617 451841627 /nfs/dbraw/zinc/84/16/27/451841627.db2.gz KMITWQGHMHSMLY-GOSISDBHSA-N 2 0 327.428 1.708 20 0 EDADRP COCC[NH+]1CCC(NC[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644528701 451842981 /nfs/dbraw/zinc/84/29/81/451842981.db2.gz QAONAQXKHUMXCN-LJQANCHMSA-N 2 0 335.492 1.180 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543685 451851698 /nfs/dbraw/zinc/85/16/98/451851698.db2.gz NIGDYTMQLNDPJG-WOJBJXKFSA-N 2 0 349.519 1.598 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000644583990 451877614 /nfs/dbraw/zinc/87/76/14/451877614.db2.gz INFHLCAFLCMFSC-KFWWJZLASA-N 2 0 337.430 1.553 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)[C@@H]2CCc3cncn3C2)[C@H](c2ccccc2)C1 ZINC000649235108 451920837 /nfs/dbraw/zinc/92/08/37/451920837.db2.gz BMWNAWQIEANHIA-LMMKCTJWSA-N 2 0 338.455 1.907 20 0 EDADRP COCCOC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245836 451928890 /nfs/dbraw/zinc/92/88/90/451928890.db2.gz IIZFZONINHHIKW-GOSISDBHSA-N 2 0 328.497 1.598 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2ccc3[nH]c(N4CCOCC4)nc3c2)CC1 ZINC000639538674 451932722 /nfs/dbraw/zinc/93/27/22/451932722.db2.gz QBLHQLPORVYTBT-UHFFFAOYSA-N 2 0 343.431 1.680 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926127 451942189 /nfs/dbraw/zinc/94/21/89/451942189.db2.gz YVUZDXULCHZMHZ-RCCFBDPRSA-N 2 0 328.460 1.456 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733437 451942764 /nfs/dbraw/zinc/94/27/64/451942764.db2.gz NEGUXNXWIMRXTA-RDJZCZTQSA-N 2 0 346.475 1.183 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000639554690 451943985 /nfs/dbraw/zinc/94/39/85/451943985.db2.gz LUEZQPYKXHKFCZ-KRWDZBQOSA-N 2 0 335.496 1.836 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[NH+]2CCCC2)cc1 ZINC000649277201 451947724 /nfs/dbraw/zinc/94/77/24/451947724.db2.gz LWZFDONQKUAZTG-WMZOPIPTSA-N 2 0 347.459 1.184 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646940608 451956352 /nfs/dbraw/zinc/95/63/52/451956352.db2.gz JAYOSJFVDOFMIO-AZUAARDMSA-N 2 0 347.503 1.370 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[NH+](C)C2)C1 ZINC000649288427 451962928 /nfs/dbraw/zinc/96/29/28/451962928.db2.gz PIBCTQPRNNTBTK-OXJNMPFZSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649302469 451978060 /nfs/dbraw/zinc/97/80/60/451978060.db2.gz RIGUEXUFZGIHPX-MCIONIFRSA-N 2 0 333.423 1.237 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649305512 451981805 /nfs/dbraw/zinc/98/18/05/451981805.db2.gz UXPHFUJELATORD-QZTJIDSGSA-N 2 0 331.460 1.251 20 0 EDADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000649306726 451983981 /nfs/dbraw/zinc/98/39/81/451983981.db2.gz LJVFYOLFHWECIO-IBGZPJMESA-N 2 0 346.475 1.093 20 0 EDADRP COCCC1(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000649307220 451984151 /nfs/dbraw/zinc/98/41/51/451984151.db2.gz ASTIZHKYSRRMOY-BRWVUGGUSA-N 2 0 339.524 1.875 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649319688 451997858 /nfs/dbraw/zinc/99/78/58/451997858.db2.gz QQRSWVPOZVVHQF-BWTSREIZSA-N 2 0 327.472 1.822 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000649321550 451999699 /nfs/dbraw/zinc/99/96/99/451999699.db2.gz AFDSFBABKALMME-UHFFFAOYSA-N 2 0 333.476 1.803 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649328429 452007912 /nfs/dbraw/zinc/00/79/12/452007912.db2.gz ZFLBLYWXQHRPEV-CYBMUJFWSA-N 2 0 333.423 1.237 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336621 452018361 /nfs/dbraw/zinc/01/83/61/452018361.db2.gz JFEQQWFFBKGZSX-NUJGCVRESA-N 2 0 345.487 1.495 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649343245 452022932 /nfs/dbraw/zinc/02/29/32/452022932.db2.gz RLILYZUGIDUCRL-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649343533 452024389 /nfs/dbraw/zinc/02/43/89/452024389.db2.gz DIXGUAALJXDXCQ-NXHRZFHOSA-N 2 0 329.444 1.010 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649346067 452028677 /nfs/dbraw/zinc/02/86/77/452028677.db2.gz YDXXEEZIWAXGRC-JKSUJKDBSA-N 2 0 347.459 1.582 20 0 EDADRP CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000647049739 452029550 /nfs/dbraw/zinc/02/95/50/452029550.db2.gz ZUMRUXZMJNSNMK-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000643080948 452035314 /nfs/dbraw/zinc/03/53/14/452035314.db2.gz OGIDIMRFGQUWNN-OIISXLGYSA-N 2 0 348.495 1.553 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000643080991 452035743 /nfs/dbraw/zinc/03/57/43/452035743.db2.gz XSPVALMLRMJKGA-HKUYNNGSSA-N 2 0 349.450 1.660 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649353611 452037259 /nfs/dbraw/zinc/03/72/59/452037259.db2.gz SBMWDCUSCCCDQE-QRQLOZEOSA-N 2 0 348.535 1.392 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000643210151 452072915 /nfs/dbraw/zinc/07/29/15/452072915.db2.gz OVKIEPRYKFDBEA-DLBZAZTESA-N 2 0 339.528 1.137 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417909 452080295 /nfs/dbraw/zinc/08/02/95/452080295.db2.gz NVGTZNROTSXQAD-SJORKVTESA-N 3 0 348.535 1.441 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000637798481 452089078 /nfs/dbraw/zinc/08/90/78/452089078.db2.gz HPVJOZVVICYGKR-YQVWRLOYSA-N 2 0 333.476 1.953 20 0 EDADRP C[NH+]1CCN(Cc2cccc(-c3nc([C@@H]4CCC[NH2+]4)no3)c2)CC1 ZINC000647151424 452090779 /nfs/dbraw/zinc/09/07/79/452090779.db2.gz FXKZHZGEGDRQDZ-INIZCTEOSA-N 2 0 327.432 1.909 20 0 EDADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000637844868 452112867 /nfs/dbraw/zinc/11/28/67/452112867.db2.gz LPTVEBNQCRTHKN-AEFFLSMTSA-N 2 0 344.503 1.566 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)[C@@]2(O)CCOC2)cc1 ZINC000647246890 452143756 /nfs/dbraw/zinc/14/37/56/452143756.db2.gz SPRGXVBEIJYOMA-LJQANCHMSA-N 2 0 336.476 1.894 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000647413670 452206633 /nfs/dbraw/zinc/20/66/33/452206633.db2.gz IGRAVMMRCHFOOG-QZTJIDSGSA-N 2 0 331.460 1.006 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1)N1CC[NH2+]CC1 ZINC000647486402 452230319 /nfs/dbraw/zinc/23/03/19/452230319.db2.gz LNAFHHXKAARTRI-CQSZACIVSA-N 2 0 348.516 1.666 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000643454601 452231397 /nfs/dbraw/zinc/23/13/97/452231397.db2.gz NRXWEHKXYDHGID-HZPDHXFCSA-N 2 0 325.478 1.485 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2 ZINC000641748782 452234783 /nfs/dbraw/zinc/23/47/83/452234783.db2.gz SCLLFDVYJSPAIM-UHFFFAOYSA-N 2 0 334.386 1.906 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643488567 452258053 /nfs/dbraw/zinc/25/80/53/452258053.db2.gz LVAJCJUYVPRWBO-URLQWDBASA-N 2 0 329.444 1.889 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000659428798 452271308 /nfs/dbraw/zinc/27/13/08/452271308.db2.gz CGPHKFYVHHANMI-RHSMWYFYSA-N 2 0 336.480 1.985 20 0 EDADRP O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647551600 452278443 /nfs/dbraw/zinc/27/84/43/452278443.db2.gz WZQXYSFXJYVMBC-IXDOHACOSA-N 2 0 349.500 1.704 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000641803834 452280811 /nfs/dbraw/zinc/28/08/11/452280811.db2.gz VDPUCMXKEKBMHE-IRXDYDNUSA-N 2 0 346.475 1.173 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000655495065 452294311 /nfs/dbraw/zinc/29/43/11/452294311.db2.gz RSOJTNAKXGHZJA-ZRGWGRIASA-N 2 0 337.508 1.852 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652125234 452321421 /nfs/dbraw/zinc/32/14/21/452321421.db2.gz JSNIVAAXXUMKRW-UHFFFAOYSA-N 2 0 334.464 1.555 20 0 EDADRP CN(C)c1ncc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)n1C ZINC000657537179 452322319 /nfs/dbraw/zinc/32/23/19/452322319.db2.gz BLDMQQAWYDECGW-UHFFFAOYSA-N 2 0 335.496 1.467 20 0 EDADRP C[C@H](CCO)[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649866791 452327676 /nfs/dbraw/zinc/32/76/76/452327676.db2.gz YXFXHIPHDIBMCZ-MRXNPFEDSA-N 2 0 333.476 1.601 20 0 EDADRP CCn1nccc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606698 452333236 /nfs/dbraw/zinc/33/32/36/452333236.db2.gz UWTCOUHSLZJUSN-UHFFFAOYSA-N 2 0 341.459 1.626 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763525 452342580 /nfs/dbraw/zinc/34/25/80/452342580.db2.gz DKEXESIOEGDXGR-DLBZAZTESA-N 2 0 341.544 1.383 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652151091 452345156 /nfs/dbraw/zinc/34/51/56/452345156.db2.gz IQAZLRIJLJBQJR-GVDBMIGSSA-N 2 0 340.512 1.646 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490047 452350848 /nfs/dbraw/zinc/35/08/48/452350848.db2.gz NEVIYRFGDCWSGT-GVDBMIGSSA-N 2 0 334.439 1.589 20 0 EDADRP [NH3+]C[C@]1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCOC1 ZINC000638064440 452364033 /nfs/dbraw/zinc/36/40/33/452364033.db2.gz LPTQDYPDYMHKPN-LJQANCHMSA-N 2 0 331.460 1.654 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638065141 452366009 /nfs/dbraw/zinc/36/60/09/452366009.db2.gz RDCNBDXIRVPFBX-PXNSSMCTSA-N 2 0 345.487 1.707 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638066006 452368008 /nfs/dbraw/zinc/36/80/08/452368008.db2.gz DDAOFHVDFYGMPR-SFHVURJKSA-N 2 0 325.497 1.712 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC1 ZINC000652181259 452375204 /nfs/dbraw/zinc/37/52/04/452375204.db2.gz VOHZPQGDZBSJRV-HRCADAONSA-N 2 0 338.496 1.399 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638070598 452376919 /nfs/dbraw/zinc/37/69/19/452376919.db2.gz SDKDQLAWNOEXSC-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659513695 452377317 /nfs/dbraw/zinc/37/73/17/452377317.db2.gz YHEHYISXERQCLJ-KRWDZBQOSA-N 2 0 330.476 1.807 20 0 EDADRP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000645422603 452392935 /nfs/dbraw/zinc/39/29/35/452392935.db2.gz OWNRVYCPNUWLRK-HNNXBMFYSA-N 2 0 336.480 1.143 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000638080878 452398405 /nfs/dbraw/zinc/39/84/05/452398405.db2.gz SJGHOJPOVOKHHT-CMKODMSKSA-N 2 0 345.487 1.924 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659543079 452401962 /nfs/dbraw/zinc/40/19/62/452401962.db2.gz NTERBXDZEXSMAL-YJBOKZPZSA-N 2 0 345.491 1.733 20 0 EDADRP [NH3+]CC1(CCNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659560476 452416711 /nfs/dbraw/zinc/41/67/11/452416711.db2.gz ZKXWYSMGCBDZMP-UHFFFAOYSA-N 2 0 345.491 1.722 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659574165 452429125 /nfs/dbraw/zinc/42/91/25/452429125.db2.gz SVFYLDWGLZUYPL-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+]CC[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659577553 452431863 /nfs/dbraw/zinc/43/18/63/452431863.db2.gz SIMIYUPOKVXQJQ-CGTJXYLNSA-N 2 0 330.476 1.903 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000645472212 452443332 /nfs/dbraw/zinc/44/33/32/452443332.db2.gz JVAUWXJPACHUKP-SFHVURJKSA-N 2 0 331.460 1.408 20 0 EDADRP C[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000645478884 452449597 /nfs/dbraw/zinc/44/95/97/452449597.db2.gz SYIAORZIIXBEDQ-FUHWJXTLSA-N 2 0 332.492 1.466 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000652288381 452472344 /nfs/dbraw/zinc/47/23/44/452472344.db2.gz GMSBSAAORQMRAF-UHFFFAOYSA-N 2 0 347.507 1.185 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000652291893 452476463 /nfs/dbraw/zinc/47/64/63/452476463.db2.gz MIOKZCXYAQGLEQ-QGZVFWFLSA-N 2 0 346.475 1.303 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(CC)C2)[C@@H](C)C1 ZINC000652297713 452480139 /nfs/dbraw/zinc/48/01/39/452480139.db2.gz XQMNBEWCYFADIL-BBWFWOEESA-N 2 0 325.497 1.581 20 0 EDADRP CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663765424 452494993 /nfs/dbraw/zinc/49/49/93/452494993.db2.gz XPRZCTVUFNQXMI-QZTJIDSGSA-N 2 0 332.492 1.895 20 0 EDADRP C[NH2+]C[C@](C)(O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000652338586 452508339 /nfs/dbraw/zinc/50/83/39/452508339.db2.gz BFZYRKXCHBSEQH-FQEVSTJZSA-N 2 0 327.472 1.928 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000647777469 452514954 /nfs/dbraw/zinc/51/49/54/452514954.db2.gz RUOCUDGAEMTCCS-UHFFFAOYSA-N 2 0 344.503 1.206 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790094 452523163 /nfs/dbraw/zinc/52/31/63/452523163.db2.gz RHCXAFKDBHHTLI-IPMKNSEASA-N 3 0 344.503 1.456 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccccc1 ZINC000647791926 452523899 /nfs/dbraw/zinc/52/38/99/452523899.db2.gz QOBBCXBYKRRKTI-BRWVUGGUSA-N 2 0 337.489 1.084 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652350339 452525752 /nfs/dbraw/zinc/52/57/52/452525752.db2.gz SXEQXQOIMNSCMS-DMUMMCEESA-N 3 0 347.503 1.956 20 0 EDADRP C([C@@H]1CCOC1)[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655725943 452538505 /nfs/dbraw/zinc/53/85/05/452538505.db2.gz NZRYTVBKGLOFNE-LPHOPBHVSA-N 2 0 337.508 1.330 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccsc3n2)C1 ZINC000652360556 452542413 /nfs/dbraw/zinc/54/24/13/452542413.db2.gz LHJQZMWUDUPZQR-BPLDGKMQSA-N 2 0 348.472 1.617 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362357 452544249 /nfs/dbraw/zinc/54/42/49/452544249.db2.gz FKXWGMPILRHQCW-GUDVDZBRSA-N 2 0 345.487 1.972 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659689621 452567522 /nfs/dbraw/zinc/56/75/22/452567522.db2.gz GKUAEWISXRXBPN-UHFFFAOYSA-N 2 0 348.491 1.339 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000663849372 452576230 /nfs/dbraw/zinc/57/62/30/452576230.db2.gz LDMFIGPCISJSSS-APWZRJJASA-N 2 0 347.503 1.730 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)[C@@H](C)c2ccccc2)CC1 ZINC000663849374 452576271 /nfs/dbraw/zinc/57/62/71/452576271.db2.gz LDMFIGPCISJSSS-QFBILLFUSA-N 2 0 347.503 1.730 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721661 452612776 /nfs/dbraw/zinc/61/27/76/452612776.db2.gz BRQOSUJWRIYQOT-AWEZNQCLSA-N 2 0 338.496 1.143 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2)c1ccccc1 ZINC000661831783 452616466 /nfs/dbraw/zinc/61/64/66/452616466.db2.gz REUFYHOSBIQTBW-IKGGRYGDSA-N 2 0 331.460 1.299 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(CCO)CC1 ZINC000666190316 452670844 /nfs/dbraw/zinc/67/08/44/452670844.db2.gz HSTOEUZCSHDSBS-LJQANCHMSA-N 2 0 345.487 1.078 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCc2ccccc2)C1)N1CCN(CCO)CC1 ZINC000666190313 452670932 /nfs/dbraw/zinc/67/09/32/452670932.db2.gz HSTOEUZCSHDSBS-IBGZPJMESA-N 2 0 345.487 1.078 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655913758 452673284 /nfs/dbraw/zinc/67/32/84/452673284.db2.gz INJSLDJXUGNEGS-ZYHUDNBSSA-N 2 0 336.358 1.851 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658001884 452674762 /nfs/dbraw/zinc/67/47/62/452674762.db2.gz HIPFXKMIMKPABS-QGZVFWFLSA-N 2 0 327.513 1.434 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926843 452693557 /nfs/dbraw/zinc/69/35/57/452693557.db2.gz GTRIFASDKRXPPB-OLZOCXBDSA-N 2 0 336.402 1.972 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977633 452724030 /nfs/dbraw/zinc/72/40/30/452724030.db2.gz FNYWVXKSJIXVSR-DLBZAZTESA-N 2 0 340.475 1.916 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000658107256 452728965 /nfs/dbraw/zinc/72/89/65/452728965.db2.gz LSDCAUIDTDCKDA-GTPINHCMSA-N 2 0 347.569 1.451 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000655956092 452732372 /nfs/dbraw/zinc/73/23/72/452732372.db2.gz KQMRDFWGNBFWTA-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664032850 452732510 /nfs/dbraw/zinc/73/25/10/452732510.db2.gz CUPQUOWPLBXXSI-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655959613 452741428 /nfs/dbraw/zinc/74/14/28/452741428.db2.gz VAVPFJKTOGWCRY-DLBZAZTESA-N 2 0 344.459 1.478 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655963419 452746829 /nfs/dbraw/zinc/74/68/29/452746829.db2.gz ZNCBBPCLJQRALB-KSZLIROESA-N 2 0 346.475 1.270 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658143623 452749966 /nfs/dbraw/zinc/74/99/66/452749966.db2.gz BOBPTOLHRGHKNC-MISYRCLQSA-N 2 0 348.487 1.655 20 0 EDADRP C[NH+]1CCC(n2ccc(=NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)[nH]2)CC1 ZINC000652600843 452764659 /nfs/dbraw/zinc/76/46/59/452764659.db2.gz QCDWHNLGFWORFF-KSSFIOAISA-N 2 0 346.479 1.164 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NCCC1CC[NH2+]CC1)C(C)C ZINC000652688655 452837361 /nfs/dbraw/zinc/83/73/61/452837361.db2.gz HSMCFXRNVBIIQJ-UHFFFAOYSA-N 2 0 340.512 1.117 20 0 EDADRP COC[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)OC ZINC000659943934 452838238 /nfs/dbraw/zinc/83/82/38/452838238.db2.gz YXLCVNLJIQMULU-INIZCTEOSA-N 2 0 343.512 1.064 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654735957 452864004 /nfs/dbraw/zinc/86/40/04/452864004.db2.gz XJJREYKSGKCGPJ-GOSISDBHSA-N 2 0 333.476 1.545 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000648159981 452869028 /nfs/dbraw/zinc/86/90/28/452869028.db2.gz IVQFFLMLYBLCIL-MSOLQXFVSA-N 2 0 337.508 1.712 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000648165579 452874758 /nfs/dbraw/zinc/87/47/58/452874758.db2.gz PDSDLXCTUVPVCT-AWEZNQCLSA-N 2 0 332.448 1.102 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)CN2CCOCC2)cc1 ZINC000666443385 452875437 /nfs/dbraw/zinc/87/54/37/452875437.db2.gz IRHSDOQTVLURCV-UHFFFAOYSA-N 2 0 335.492 1.827 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648165225 452876222 /nfs/dbraw/zinc/87/62/22/452876222.db2.gz YDHLMPUYJJOYMW-TVFCKZIOSA-N 2 0 329.444 1.144 20 0 EDADRP C[NH+](C)C1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000654761366 452892890 /nfs/dbraw/zinc/89/28/90/452892890.db2.gz YYDZQEMFBQPYGW-MRXNPFEDSA-N 2 0 325.522 1.757 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc(N2CCOCC2)nc1C ZINC000652734922 452895409 /nfs/dbraw/zinc/89/54/09/452895409.db2.gz MHVBFQBSMKHGKJ-OAHLLOKOSA-N 2 0 347.463 1.785 20 0 EDADRP C[C@H](CCN=c1cc(NCC[C@H](C)[NH+](C)C)n2[nH]cnc2n1)[NH+](C)C ZINC000664245577 452923651 /nfs/dbraw/zinc/92/36/51/452923651.db2.gz QAXBUVOAXZSDOO-KGLIPLIRSA-N 2 0 348.499 1.050 20 0 EDADRP CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000656225050 452974084 /nfs/dbraw/zinc/97/40/84/452974084.db2.gz BQQVYLGPVZBRLX-ZIAGYGMSSA-N 2 0 349.483 1.525 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652814136 452974073 /nfs/dbraw/zinc/97/40/73/452974073.db2.gz RXWOHBOENKZNMH-MOPGFXCFSA-N 2 0 345.487 1.829 20 0 EDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257686 452984838 /nfs/dbraw/zinc/98/48/38/452984838.db2.gz PDYWMJFNBSPHPC-GOSISDBHSA-N 2 0 343.471 1.744 20 0 EDADRP CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000658465583 452999493 /nfs/dbraw/zinc/99/94/93/452999493.db2.gz CJZKXOVOZNLWJL-QGZVFWFLSA-N 2 0 346.475 1.629 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)C1 ZINC000646003038 452999554 /nfs/dbraw/zinc/99/95/54/452999554.db2.gz OGKMNFMVGDXKQC-ZWKOTPCHSA-N 2 0 348.466 1.106 20 0 EDADRP CCN(CC)C(=O)CCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662278865 453005696 /nfs/dbraw/zinc/00/56/96/453005696.db2.gz NAFKJUQDLGUGEJ-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](CCO)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000650802820 453008283 /nfs/dbraw/zinc/00/82/83/453008283.db2.gz XSKFEJYLFNUDOR-MRXNPFEDSA-N 2 0 349.479 1.006 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)C2=O)cn1 ZINC000662292563 453013701 /nfs/dbraw/zinc/01/37/01/453013701.db2.gz OCUZTWPXOAVMAO-FUHWJXTLSA-N 2 0 345.491 1.627 20 0 EDADRP CC1(C)NC(=O)N(CCC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1=O ZINC000662292061 453014461 /nfs/dbraw/zinc/01/44/61/453014461.db2.gz LOVZDYBOMQOOGE-OAHLLOKOSA-N 2 0 336.480 1.419 20 0 EDADRP O=C1[C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662298954 453021853 /nfs/dbraw/zinc/02/18/53/453021853.db2.gz UCKQQBCLXZPJQZ-RYQLBKOJSA-N 2 0 341.455 1.493 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCc2nc[nH]c2C1 ZINC000666638831 453029567 /nfs/dbraw/zinc/02/95/67/453029567.db2.gz NNGNWIKWRKUFFS-AWEZNQCLSA-N 2 0 339.443 1.690 20 0 EDADRP Cc1cccnc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337265 453052931 /nfs/dbraw/zinc/05/29/31/453052931.db2.gz KSKCVNJJFHRQFD-INIZCTEOSA-N 2 0 340.475 1.902 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000662338345 453056708 /nfs/dbraw/zinc/05/67/08/453056708.db2.gz QRENRPNTNQHQEH-MRXNPFEDSA-N 2 0 340.475 1.902 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000666683610 453062391 /nfs/dbraw/zinc/06/23/91/453062391.db2.gz LGJUBWHWDCRVGH-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1([NH3+])CCC1 ZINC000646066152 453080053 /nfs/dbraw/zinc/08/00/53/453080053.db2.gz WFJRGWLJLYPREQ-MRXNPFEDSA-N 2 0 330.476 1.585 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660151161 453083330 /nfs/dbraw/zinc/08/33/30/453083330.db2.gz PPKILIAPPABKHY-IBGZPJMESA-N 2 0 340.556 1.178 20 0 EDADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644153833 453085782 /nfs/dbraw/zinc/08/57/82/453085782.db2.gz VQZWCSYQWPSKHC-JKSUJKDBSA-N 2 0 337.414 1.964 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)c1ccsc1 ZINC000662383833 453091461 /nfs/dbraw/zinc/09/14/61/453091461.db2.gz FTAOZAUBJPCKPI-GJZGRUSLSA-N 2 0 327.494 2.000 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)C1 ZINC000654975563 453095948 /nfs/dbraw/zinc/09/59/48/453095948.db2.gz XXSUPIKPZNQZKD-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662389032 453098223 /nfs/dbraw/zinc/09/82/23/453098223.db2.gz SCRMGHPZBSSEOK-OAHLLOKOSA-N 2 0 333.480 1.729 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662389063 453099113 /nfs/dbraw/zinc/09/91/13/453099113.db2.gz SNDOZSIYKLJOMA-HNNXBMFYSA-N 2 0 348.495 1.587 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1cccc(F)c1)CCO2 ZINC000646103724 453106146 /nfs/dbraw/zinc/10/61/46/453106146.db2.gz MFUZHVGWSHZBDV-UHFFFAOYSA-N 2 0 335.423 1.951 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662416343 453125568 /nfs/dbraw/zinc/12/55/68/453125568.db2.gz XBQPPTPVUCZGPD-AWEZNQCLSA-N 2 0 340.431 1.491 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)c1 ZINC000666777258 453141950 /nfs/dbraw/zinc/14/19/50/453141950.db2.gz ZQLRCEWEHUGWSW-UHFFFAOYSA-N 2 0 346.475 1.856 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000646143121 453151873 /nfs/dbraw/zinc/15/18/73/453151873.db2.gz PMAUGOKXMYGSKM-UHFFFAOYSA-N 2 0 341.496 1.279 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCC1)c1ccccc1 ZINC000646224647 453236800 /nfs/dbraw/zinc/23/68/00/453236800.db2.gz ZZRHRLRHGHZFGL-MSOLQXFVSA-N 2 0 333.476 1.642 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000666924299 453250024 /nfs/dbraw/zinc/25/00/24/453250024.db2.gz BSRYANDFQCNYOW-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000648786470 453269969 /nfs/dbraw/zinc/26/99/69/453269969.db2.gz CMUOVZWMKCSDAJ-IXDOHACOSA-N 2 0 325.497 1.724 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC000648786954 453273814 /nfs/dbraw/zinc/27/38/14/453273814.db2.gz XFPBQRGXUFDOCL-IXDOHACOSA-N 2 0 327.513 1.826 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662575840 453302720 /nfs/dbraw/zinc/30/27/20/453302720.db2.gz QVXNWFXDMATQRI-NEWSRXKRSA-N 2 0 343.471 1.966 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000653124924 453319819 /nfs/dbraw/zinc/31/98/19/453319819.db2.gz MEQZTHDAKNUMQD-QGZVFWFLSA-N 2 0 345.491 1.229 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000653124838 453319920 /nfs/dbraw/zinc/31/99/20/453319920.db2.gz IPLPPMXJBKXIBR-OTWHNJEPSA-N 2 0 344.503 1.609 20 0 EDADRP [NH3+]C[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662614507 453334394 /nfs/dbraw/zinc/33/43/94/453334394.db2.gz RMSNUTWRCWHCAD-IBGZPJMESA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000653148788 453335477 /nfs/dbraw/zinc/33/54/77/453335477.db2.gz LKFCLPIPPCEFLI-MRXNPFEDSA-N 2 0 342.434 1.134 20 0 EDADRP C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648872971 453348740 /nfs/dbraw/zinc/34/87/40/453348740.db2.gz NQNYIESNEFXQIO-GOSISDBHSA-N 2 0 347.503 1.660 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)[NH+](CC)CC ZINC000653184072 453375305 /nfs/dbraw/zinc/37/53/05/453375305.db2.gz MMFPEGDFQZFBSH-YLFCFFPRSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000664756843 453381189 /nfs/dbraw/zinc/38/11/89/453381189.db2.gz XWFUCVMYEBIECX-JKSUJKDBSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1Cl ZINC000662693690 453414816 /nfs/dbraw/zinc/41/48/16/453414816.db2.gz LJQNYKPTFAEFGU-IUODEOHRSA-N 2 0 341.839 1.583 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCCc1cccc2[nH]ccc21 ZINC000664826867 453432279 /nfs/dbraw/zinc/43/22/79/453432279.db2.gz AFWPVQUHGHKWDV-UHFFFAOYSA-N 2 0 345.491 1.893 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662749399 453480368 /nfs/dbraw/zinc/48/03/68/453480368.db2.gz LHGFLICUXJRVLV-QGZVFWFLSA-N 2 0 345.487 1.905 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662755402 453491712 /nfs/dbraw/zinc/49/17/12/453491712.db2.gz ARRHHOOVKAEVKS-UHFFFAOYSA-N 2 0 344.503 1.480 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](CC3CC3)C2)C1 ZINC000660706099 453531672 /nfs/dbraw/zinc/53/16/72/453531672.db2.gz NALQHHIZTKBBTQ-IRXDYDNUSA-N 2 0 338.496 1.128 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662798950 453533349 /nfs/dbraw/zinc/53/33/49/453533349.db2.gz HPDHUWZNEUOGOU-SQNIBIBYSA-N 2 0 331.460 1.473 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833550 453559717 /nfs/dbraw/zinc/55/97/17/453559717.db2.gz RZQWTIWEGMQFOX-MSOLQXFVSA-N 2 0 337.508 1.997 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000662857154 453573257 /nfs/dbraw/zinc/57/32/57/453573257.db2.gz GIJDUIIKOCWDKA-UHFFFAOYSA-N 2 0 346.519 1.308 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000662870612 453581886 /nfs/dbraw/zinc/58/18/86/453581886.db2.gz IUZXIBKIILWRMJ-GDBMZVCRSA-N 2 0 337.439 1.738 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659021628 453584498 /nfs/dbraw/zinc/58/44/98/453584498.db2.gz HHAPWRKBCDUKQH-QGZVFWFLSA-N 2 0 332.448 1.864 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659036714 453592822 /nfs/dbraw/zinc/59/28/22/453592822.db2.gz SUNSFMBTDMYKRS-COXVUDFISA-N 2 0 332.448 1.952 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000662916001 453601350 /nfs/dbraw/zinc/60/13/50/453601350.db2.gz RPNHWZJVRRJDSP-INIZCTEOSA-N 2 0 329.444 1.315 20 0 EDADRP C[C@H](CNC(=O)NCc1cccnc1N1CCCC1)[N@H+](C)C1CC1 ZINC000660855003 453612122 /nfs/dbraw/zinc/61/21/22/453612122.db2.gz IFNZBEDRZMKHJI-CQSZACIVSA-N 2 0 331.464 1.964 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240886 453620954 /nfs/dbraw/zinc/62/09/54/453620954.db2.gz VEVXAEXVZGFZLQ-VLQPXKRTSA-N 3 0 333.476 1.095 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271056 453631141 /nfs/dbraw/zinc/63/11/41/453631141.db2.gz GFFURDLNAUBJEU-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C3CCC3)C2)C1 ZINC000665284879 453635723 /nfs/dbraw/zinc/63/57/23/453635723.db2.gz XLQUXASYOULEQT-QZTJIDSGSA-N 2 0 337.508 1.581 20 0 EDADRP COc1ccc([C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665293898 453640701 /nfs/dbraw/zinc/64/07/01/453640701.db2.gz DYRNOEKXKBSVAQ-YJBOKZPZSA-N 2 0 343.431 1.232 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000663002689 453643265 /nfs/dbraw/zinc/64/32/65/453643265.db2.gz HFBFNJQZUFXJJX-HZPDHXFCSA-N 2 0 346.479 1.054 20 0 EDADRP CNC(=O)c1cccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000665341753 453658865 /nfs/dbraw/zinc/65/88/65/453658865.db2.gz DHIHKIRPIOMSLS-AWEZNQCLSA-N 2 0 349.479 1.440 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000659355154 453726225 /nfs/dbraw/zinc/72/62/25/453726225.db2.gz FDYNBXCOIVTVFU-TXCZRRACSA-N 2 0 349.450 1.784 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000665663204 453784559 /nfs/dbraw/zinc/78/45/59/453784559.db2.gz SCQGUYDLIPKBIG-GOSISDBHSA-N 2 0 345.487 1.614 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](CC)C1 ZINC000663480840 453805722 /nfs/dbraw/zinc/80/57/22/453805722.db2.gz UDPOJTPOPCGOJL-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493867 453810042 /nfs/dbraw/zinc/81/00/42/453810042.db2.gz MEDCPXOYHPWTBG-INIZCTEOSA-N 2 0 347.434 1.239 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(OC)c2)CC1 ZINC000663503932 453811347 /nfs/dbraw/zinc/81/13/47/453811347.db2.gz UGEMTKMKQGIVIY-UHFFFAOYSA-N 2 0 349.475 1.784 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(F)c2)CC1 ZINC000663504544 453812053 /nfs/dbraw/zinc/81/20/53/453812053.db2.gz WYZHGXFUYVGYGG-UHFFFAOYSA-N 2 0 337.439 1.915 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000661403144 453812276 /nfs/dbraw/zinc/81/22/76/453812276.db2.gz ZJSULRQHNOMAHG-MRXNPFEDSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)Cc2cccc(OC)n2)CC1 ZINC000663506533 453812388 /nfs/dbraw/zinc/81/23/88/453812388.db2.gz UCMIPVKROYDQOV-HNNXBMFYSA-N 2 0 348.491 1.601 20 0 EDADRP Cc1ccncc1[C@H](C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000679942396 486678283 /nfs/dbraw/zinc/67/82/83/486678283.db2.gz NHDAMZJPFKHIKS-IRXDYDNUSA-N 2 0 348.491 1.514 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)c1 ZINC000414760880 486730228 /nfs/dbraw/zinc/73/02/28/486730228.db2.gz HUDXXFUYHJHWNS-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683665240 486783170 /nfs/dbraw/zinc/78/31/70/486783170.db2.gz WEOAKLMSLOAUAA-PKOBYXMFSA-N 2 0 342.524 1.987 20 0 EDADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000680482676 486787052 /nfs/dbraw/zinc/78/70/52/486787052.db2.gz YQDZMSSXMHCSOD-IBGZPJMESA-N 2 0 345.487 1.678 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417152643 486794154 /nfs/dbraw/zinc/79/41/54/486794154.db2.gz NHHPHPXGWIVKBJ-UHFFFAOYSA-N 2 0 347.507 1.450 20 0 EDADRP COc1cc2c(cc1C[NH2+]CCCN1CCC[N@H+](C)CC1)OCO2 ZINC000680544019 486806652 /nfs/dbraw/zinc/80/66/52/486806652.db2.gz GRAQDUUHHSQOIN-UHFFFAOYSA-N 2 0 335.448 1.541 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000430718894 486888758 /nfs/dbraw/zinc/88/87/58/486888758.db2.gz YMFBIWVDYNCWMF-DLBZAZTESA-N 2 0 344.459 1.450 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000673224777 486957321 /nfs/dbraw/zinc/95/73/21/486957321.db2.gz AQPAMRJJQZHOLZ-CABCVRRESA-N 2 0 340.512 1.068 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000667791359 486966477 /nfs/dbraw/zinc/96/64/77/486966477.db2.gz LTELRYKMSLEEFX-UHFFFAOYSA-N 2 0 338.415 1.476 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667795671 486968793 /nfs/dbraw/zinc/96/87/93/486968793.db2.gz LISHDMPMRAKHTK-UHFFFAOYSA-N 2 0 331.464 1.971 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000681211912 486974938 /nfs/dbraw/zinc/97/49/38/486974938.db2.gz XFRHTYBAFPNBHT-RBUKOAKNSA-N 2 0 346.519 1.868 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@@H]2CNc3ccnn3C2)CC1 ZINC000677150596 486986134 /nfs/dbraw/zinc/98/61/34/486986134.db2.gz QAJNKTBHGITQJH-CQSZACIVSA-N 2 0 327.436 1.184 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000673638004 487074776 /nfs/dbraw/zinc/07/47/76/487074776.db2.gz RPZVBOXUYVTPCQ-GJZGRUSLSA-N 2 0 346.475 1.789 20 0 EDADRP C[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[N@@H+]1CCO ZINC000681755360 487158445 /nfs/dbraw/zinc/15/84/45/487158445.db2.gz RYJOXTUBISFDEU-GOSISDBHSA-N 2 0 347.503 1.660 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCOC[C@@H]3CCCO3)CC2)CC1 ZINC000677738695 487161671 /nfs/dbraw/zinc/16/16/71/487161671.db2.gz MMDWHBBTSZCVLH-IBGZPJMESA-N 2 0 339.524 1.672 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000674245541 487222404 /nfs/dbraw/zinc/22/24/04/487222404.db2.gz PKRZVCFYNDBEOG-JYJNAYRXSA-N 2 0 333.476 1.862 20 0 EDADRP COC1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000681994107 487275302 /nfs/dbraw/zinc/27/53/02/487275302.db2.gz LNEINNRNPGBKFQ-UHFFFAOYSA-N 2 0 327.513 1.924 20 0 EDADRP Cn1nnc2cc(C[N@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)ccc21 ZINC000678719069 487356473 /nfs/dbraw/zinc/35/64/73/487356473.db2.gz HOUUCPVLODFQTM-KRWDZBQOSA-N 2 0 342.491 1.569 20 0 EDADRP C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000682501390 487377033 /nfs/dbraw/zinc/37/70/33/487377033.db2.gz UBYINMWUFNSOFH-CQSZACIVSA-N 2 0 340.489 1.712 20 0 EDADRP C[NH+](C)[C@@H](CNc1nccnc1NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000679390606 487420670 /nfs/dbraw/zinc/42/06/70/487420670.db2.gz DHXUDFPTCCFOGR-IYBDPMFKSA-N 2 0 332.496 1.981 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)N3CC[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000669554349 485551260 /nfs/dbraw/zinc/55/12/60/485551260.db2.gz DYHXQAMDHULTGE-OLMNPRSZSA-N 2 0 344.459 1.716 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn2cccc(Cl)c12 ZINC000668303069 485581837 /nfs/dbraw/zinc/58/18/37/485581837.db2.gz YCCUGMJBAQKCEG-UHFFFAOYSA-N 2 0 337.855 1.553 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000669570467 485589649 /nfs/dbraw/zinc/58/96/49/485589649.db2.gz WBWMXVUSRLMYRD-SFHVURJKSA-N 2 0 346.475 1.329 20 0 EDADRP O=c1cc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)nc2sccn21 ZINC000670985417 485609016 /nfs/dbraw/zinc/60/90/16/485609016.db2.gz UDYNZEFSTWQOGR-OAHLLOKOSA-N 2 0 348.472 1.443 20 0 EDADRP CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000668347787 485614133 /nfs/dbraw/zinc/61/41/33/485614133.db2.gz DWBOZCBVQIOVFQ-MRXNPFEDSA-N 2 0 340.512 1.164 20 0 EDADRP C[N@H+](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000395319101 485802982 /nfs/dbraw/zinc/80/29/82/485802982.db2.gz KMHPXQOOJWIYTL-OAHLLOKOSA-N 2 0 329.366 1.777 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000668666966 486016673 /nfs/dbraw/zinc/01/66/73/486016673.db2.gz PIYYSWZRYUHGQY-OAHLLOKOSA-N 2 0 335.496 1.247 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000669395697 486047850 /nfs/dbraw/zinc/04/78/50/486047850.db2.gz XPJLBPVBWRVONC-UHFFFAOYSA-N 2 0 334.439 1.841 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000668727481 486093908 /nfs/dbraw/zinc/09/39/08/486093908.db2.gz FKDISTUFOYQGNP-WMZOPIPTSA-N 2 0 338.496 1.128 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000669442208 486198953 /nfs/dbraw/zinc/19/89/53/486198953.db2.gz RYNONIXBGYLPGM-JKSUJKDBSA-N 2 0 349.479 1.009 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NCC1CC[NH2+]CC1 ZINC000669459223 486213234 /nfs/dbraw/zinc/21/32/34/486213234.db2.gz UOQDMJNXLLLNRB-IBGZPJMESA-N 2 0 344.503 1.850 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669491344 486263337 /nfs/dbraw/zinc/26/33/37/486263337.db2.gz WBXISBVEENIEDG-RCCFBDPRSA-N 2 0 334.508 1.892 20 0 EDADRP CN(CCC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc[nH+]cc1 ZINC000679409377 491011365 /nfs/dbraw/zinc/01/13/65/491011365.db2.gz ZTOBATNFSVIOES-MRXNPFEDSA-N 2 0 345.491 1.193 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000081790165 491181355 /nfs/dbraw/zinc/18/13/55/491181355.db2.gz COOJCCILHGIKQA-UHFFFAOYSA-N 2 0 346.519 1.848 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000261686485 534934266 /nfs/dbraw/zinc/93/42/66/534934266.db2.gz IEFKTGQJWGXIFP-UHFFFAOYSA-N 2 0 348.491 1.359 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000333256601 535095996 /nfs/dbraw/zinc/09/59/96/535095996.db2.gz DGQRRECHCRMVLA-UHFFFAOYSA-N 2 0 332.448 1.974 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262707964 535176281 /nfs/dbraw/zinc/17/62/81/535176281.db2.gz DRKPXOVGZIFHAY-CVEARBPZSA-N 2 0 333.480 1.658 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000345623867 535206620 /nfs/dbraw/zinc/20/66/20/535206620.db2.gz DILCSVQSQGKABX-ZIAGYGMSSA-N 2 0 325.478 1.576 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000352654598 535220028 /nfs/dbraw/zinc/22/00/28/535220028.db2.gz CAQSKEQNVUCPOP-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236884065 535355944 /nfs/dbraw/zinc/35/59/44/535355944.db2.gz MLBQBIHFXGOHOI-SFHVURJKSA-N 2 0 332.492 1.681 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000345359107 535362167 /nfs/dbraw/zinc/36/21/67/535362167.db2.gz ABICHUCDMXPKRY-QGZVFWFLSA-N 2 0 348.491 1.903 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261858717 535557839 /nfs/dbraw/zinc/55/78/39/535557839.db2.gz SAZYVFLOLBAPEQ-AEFFLSMTSA-N 2 0 349.475 1.530 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)nnn4C)C2)CC1 ZINC000353332302 535735711 /nfs/dbraw/zinc/73/57/11/535735711.db2.gz PPQUKBVKNGKFAS-MRXNPFEDSA-N 2 0 328.464 1.180 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000236914238 535849115 /nfs/dbraw/zinc/84/91/15/535849115.db2.gz DEUZZVKLDHNKMU-XHDPSFHLSA-N 2 0 334.420 1.468 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)ccc1=O ZINC000270084066 535934210 /nfs/dbraw/zinc/93/42/10/535934210.db2.gz JEBVCAYFDFOEIV-KRWDZBQOSA-N 2 0 346.475 1.755 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)nc2)CC1 ZINC000262639757 536114405 /nfs/dbraw/zinc/11/44/05/536114405.db2.gz JYGUNMDNWDEYEU-AWEZNQCLSA-N 2 0 331.464 1.693 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)c1cccs1 ZINC000262253722 536126345 /nfs/dbraw/zinc/12/63/45/536126345.db2.gz LSAVSIYBRWUSOB-AWEZNQCLSA-N 2 0 347.488 1.442 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000246093434 536325160 /nfs/dbraw/zinc/32/51/60/536325160.db2.gz VMIMALCDWFBQTO-LSDHHAIUSA-N 2 0 338.496 1.807 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237237672 536419142 /nfs/dbraw/zinc/41/91/42/536419142.db2.gz POKZIGHUTIRXAK-HOTGVXAUSA-N 2 0 331.464 1.081 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000074616835 536503305 /nfs/dbraw/zinc/50/33/05/536503305.db2.gz ODRCYRYKIDSOJP-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP COCC1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[NH2+]CC1 ZINC000262419474 536814249 /nfs/dbraw/zinc/81/42/49/536814249.db2.gz UTSJOBHPUYNIPD-INIZCTEOSA-N 2 0 325.497 1.629 20 0 EDADRP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000742780189 579462110 /nfs/dbraw/zinc/46/21/10/579462110.db2.gz IMZLUULSDBZXEA-DLBZAZTESA-N 2 0 325.497 1.556 20 0 EDADRP C[NH+](C)CCNC(=S)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000743580972 579484452 /nfs/dbraw/zinc/48/44/52/579484452.db2.gz QNFCSBPKXMKBLL-UHFFFAOYSA-N 2 0 344.475 1.765 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NCCN2CCO[C@H](C)C2)CC1 ZINC000727226678 578523120 /nfs/dbraw/zinc/52/31/20/578523120.db2.gz GPWVIFWUXQTDQU-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=S)NC3CC[NH+](C)CC3)CC2)c1 ZINC000729165153 578560397 /nfs/dbraw/zinc/56/03/97/578560397.db2.gz QGQHXXCBQQMYKA-UHFFFAOYSA-N 2 0 349.504 1.181 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=S)NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000760467062 580031417 /nfs/dbraw/zinc/03/14/17/580031417.db2.gz OTFCWQCYCOMYGX-GASCZTMLSA-N 2 0 342.553 1.292 20 0 EDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000732838869 578732518 /nfs/dbraw/zinc/73/25/18/578732518.db2.gz JXWYZUIULXNSMF-MRXNPFEDSA-N 2 0 333.480 1.149 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734277541 578804745 /nfs/dbraw/zinc/80/47/45/578804745.db2.gz XAKWKKXBEMPPOD-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(-c3nn[nH]n3)c2)C1 ZINC000736758704 579018074 /nfs/dbraw/zinc/01/80/74/579018074.db2.gz IRQMCRLFMRYLBI-CYBMUJFWSA-N 2 0 343.435 1.079 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000761550476 580059110 /nfs/dbraw/zinc/05/91/10/580059110.db2.gz OFVRNWYSHKBPRM-HOTGVXAUSA-N 2 0 342.553 1.436 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCC(N)=O)cc2)CCCO1 ZINC000762483710 580075321 /nfs/dbraw/zinc/07/53/21/580075321.db2.gz XAAGMTQTFYGYKC-HNNXBMFYSA-N 2 0 335.448 1.141 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)C(C)C ZINC000774787922 580374211 /nfs/dbraw/zinc/37/42/11/580374211.db2.gz FIWLUMRQYXJRHS-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP CC[NH+]1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000776587624 580422592 /nfs/dbraw/zinc/42/25/92/580422592.db2.gz KXQQOTUUGULWFU-YFHOEESVSA-N 2 0 331.460 1.804 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000781861582 580558884 /nfs/dbraw/zinc/55/88/84/580558884.db2.gz MKLSZQSVPIUZAR-MRXNPFEDSA-N 2 0 327.513 1.802 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1COC(C)(C)O1 ZINC000783275610 580597427 /nfs/dbraw/zinc/59/74/27/580597427.db2.gz OIZAYWKGQAAVFK-HNNXBMFYSA-N 2 0 344.500 1.053 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000793022027 580834146 /nfs/dbraw/zinc/83/41/46/580834146.db2.gz MABMTEQIGHFBIN-KRWDZBQOSA-N 2 0 336.480 1.191 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794274316 580884442 /nfs/dbraw/zinc/88/44/42/580884442.db2.gz FURKKKWRTGWJTO-HNNXBMFYSA-N 2 0 329.485 1.536 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000891815858 590633344 /nfs/dbraw/zinc/63/33/44/590633344.db2.gz HFUGYZSVIOCYHE-INIZCTEOSA-N 2 0 348.491 1.768 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C1CC1 ZINC000891816395 590633952 /nfs/dbraw/zinc/63/39/52/590633952.db2.gz BOTIHOQUJIEYRA-OKZBNKHCSA-N 2 0 328.460 1.653 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000891958125 590707412 /nfs/dbraw/zinc/70/74/12/590707412.db2.gz BUNDPUSTXQVQIZ-DOTOQJQBSA-N 2 0 330.476 1.806 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCC2CC[NH2+]CC2)c1 ZINC000891976446 590719066 /nfs/dbraw/zinc/71/90/66/590719066.db2.gz NSWBTOBQSUHBCY-KRWDZBQOSA-N 2 0 332.448 1.351 20 0 EDADRP c1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000892001203 590737969 /nfs/dbraw/zinc/73/79/69/590737969.db2.gz YPZUYYAQNUGRFY-ZIAGYGMSSA-N 2 0 328.464 1.774 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCc3sc(C[NH3+])nc3C2)cc1 ZINC000892043280 590768802 /nfs/dbraw/zinc/76/88/02/590768802.db2.gz VDRKPVQXAKPCJO-NSHDSACASA-N 2 0 345.472 1.889 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000893320929 590777608 /nfs/dbraw/zinc/77/76/08/590777608.db2.gz WIANPLJRYJYNFY-UHFFFAOYSA-N 2 0 331.526 1.368 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893328042 590782152 /nfs/dbraw/zinc/78/21/52/590782152.db2.gz RRMOXBCZTMYEJK-JKSUJKDBSA-N 2 0 329.460 1.237 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000892093601 590794199 /nfs/dbraw/zinc/79/41/99/590794199.db2.gz WBABZNGVMLMSQM-KRWDZBQOSA-N 2 0 340.512 1.504 20 0 EDADRP CC(=O)OC[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000893353694 590798604 /nfs/dbraw/zinc/79/86/04/590798604.db2.gz ASGAGRANTYWBNC-HNNXBMFYSA-N 2 0 347.459 1.553 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150696 590823551 /nfs/dbraw/zinc/82/35/51/590823551.db2.gz KQWOBCNBYIPCLO-HUUCEWRRSA-N 2 0 340.418 1.851 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000892163568 590834093 /nfs/dbraw/zinc/83/40/93/590834093.db2.gz QIKSHHGIJLQNHS-WMZOPIPTSA-N 2 0 346.475 1.883 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)C2 ZINC000892186653 590853396 /nfs/dbraw/zinc/85/33/96/590853396.db2.gz ATQPMXQTNUWJJL-SDDRHHMPSA-N 2 0 335.477 1.058 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC12CC[NH+](C)CC2)Cc1ccccc1 ZINC000892262935 590896116 /nfs/dbraw/zinc/89/61/16/590896116.db2.gz OEHPMCXKJAXUKX-UHFFFAOYSA-N 2 0 330.476 1.998 20 0 EDADRP C[NH+]1CCC(CNc2cccc(C[N@@H+]3CCC[C@@H]3C(N)=O)c2)CC1 ZINC000892339748 590967939 /nfs/dbraw/zinc/96/79/39/590967939.db2.gz JUZOZORFARFGJO-GOSISDBHSA-N 2 0 330.476 1.890 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000892343428 590971362 /nfs/dbraw/zinc/97/13/62/590971362.db2.gz ZRIPZHBXDPAAHF-LSDHHAIUSA-N 2 0 330.476 1.956 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892391454 591007677 /nfs/dbraw/zinc/00/76/77/591007677.db2.gz CLWHXXMMTWTBJV-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1[nH+]ccc(N[C@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000892401789 591012434 /nfs/dbraw/zinc/01/24/34/591012434.db2.gz HNILPELLEXNMNP-LLVKDONJSA-N 2 0 327.270 1.622 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)c1 ZINC000892489583 591046752 /nfs/dbraw/zinc/04/67/52/591046752.db2.gz DAOZITDUAGCVAC-HDICACEKSA-N 2 0 330.476 1.841 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000891355199 591057131 /nfs/dbraw/zinc/05/71/31/591057131.db2.gz ZVFGGZJUEQEPNH-UHFFFAOYSA-N 2 0 347.507 1.625 20 0 EDADRP CCn1cc(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000892552913 591069305 /nfs/dbraw/zinc/06/93/05/591069305.db2.gz FWWZRAUSDUYMEL-UHFFFAOYSA-N 2 0 342.491 1.596 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891455840 591078478 /nfs/dbraw/zinc/07/84/78/591078478.db2.gz HRVOLEMVZHCTGO-IAGOWNOFSA-N 2 0 346.475 1.663 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000891513915 591100601 /nfs/dbraw/zinc/10/06/01/591100601.db2.gz JSKPDBPEJFYVIA-KDOFPFPSSA-N 2 0 346.475 1.834 20 0 EDADRP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000891534631 591111690 /nfs/dbraw/zinc/11/16/90/591111690.db2.gz NPHIBWRNEWKYKZ-MSOLQXFVSA-N 2 0 332.492 1.895 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@H](C)C2)[NH+](C)C)c1 ZINC000891539039 591113879 /nfs/dbraw/zinc/11/38/79/591113879.db2.gz JGPGEHVDUCKMMB-MAUKXSAKSA-N 2 0 348.491 1.939 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000891544272 591117529 /nfs/dbraw/zinc/11/75/29/591117529.db2.gz BNASRVAELAZLJE-GASCZTMLSA-N 2 0 340.537 1.775 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000891546098 591118455 /nfs/dbraw/zinc/11/84/55/591118455.db2.gz PGUMFARYMJNCJA-KRWDZBQOSA-N 2 0 332.448 1.445 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000891576075 591132299 /nfs/dbraw/zinc/13/22/99/591132299.db2.gz QIHHAOJCEPSHPY-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@@H](CO)Nc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ncn1 ZINC000893960430 591149621 /nfs/dbraw/zinc/14/96/21/591149621.db2.gz SJOMWMYAVOYZKW-CABCVRRESA-N 2 0 333.480 1.970 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892769508 591168210 /nfs/dbraw/zinc/16/82/10/591168210.db2.gz ZXFPGLRHTSFWIV-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000891659048 591172127 /nfs/dbraw/zinc/17/21/27/591172127.db2.gz HUWHLKHBHQNYPK-CVEARBPZSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000891659052 591172379 /nfs/dbraw/zinc/17/23/79/591172379.db2.gz HUWHLKHBHQNYPK-HZPDHXFCSA-N 2 0 338.496 1.400 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892782716 591174051 /nfs/dbraw/zinc/17/40/51/591174051.db2.gz AXVFGKOQFZAPAV-MRXNPFEDSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891673024 591178836 /nfs/dbraw/zinc/17/88/36/591178836.db2.gz GNMIKHOOCOHMCH-ACJLOTCBSA-N 2 0 328.460 1.614 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891674328 591179404 /nfs/dbraw/zinc/17/94/04/591179404.db2.gz WXCKEARFFHFPGJ-ZWKOTPCHSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000891694762 591187942 /nfs/dbraw/zinc/18/79/42/591187942.db2.gz SWWZBLSIYYSAGP-IXDOHACOSA-N 2 0 338.496 1.148 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817562 591192754 /nfs/dbraw/zinc/19/27/54/591192754.db2.gz DZMHQCFHKXNHEE-IRXDYDNUSA-N 2 0 336.480 1.166 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@H]1c1ccccc1 ZINC000891722495 591198725 /nfs/dbraw/zinc/19/87/25/591198725.db2.gz CWFPPZVODUCLKU-IMBTUZDBSA-N 2 0 328.460 1.683 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)[C@H]1c1ccccc1 ZINC000891722361 591198906 /nfs/dbraw/zinc/19/89/06/591198906.db2.gz CLCBRPIFCBLLDF-XLAORIBOSA-N 2 0 328.460 1.968 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892878644 591211790 /nfs/dbraw/zinc/21/17/90/591211790.db2.gz ADTCRPOPUPEXFX-TZMCWYRMSA-N 2 0 349.504 1.639 20 0 EDADRP COC(=O)c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000894460293 591318285 /nfs/dbraw/zinc/31/82/85/591318285.db2.gz VITWDYIFOZGSIY-UHFFFAOYSA-N 2 0 325.428 1.538 20 0 EDADRP C[C@H]1CN(Cc2c3c(nn2C)CCOC3)CCN1c1cc[nH+]cc1 ZINC000896003142 591323477 /nfs/dbraw/zinc/32/34/77/591323477.db2.gz TVUHHQSLSYHAHA-AWEZNQCLSA-N 2 0 327.432 1.599 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](CNS(=O)(=O)C3CC3)C2)CC1 ZINC000894520220 591329976 /nfs/dbraw/zinc/32/99/76/591329976.db2.gz HKIBUDVBUARTHV-OAHLLOKOSA-N 2 0 329.510 1.122 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC(F)(F)C1 ZINC000898510445 591386057 /nfs/dbraw/zinc/38/60/57/591386057.db2.gz UVONEEDALMCSNY-AWEZNQCLSA-N 2 0 334.455 1.947 20 0 EDADRP CCc1[nH]c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000894769710 591411224 /nfs/dbraw/zinc/41/12/24/591411224.db2.gz GRWVUTYIVBAXIS-UHFFFAOYSA-N 2 0 336.480 1.433 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454118 591459820 /nfs/dbraw/zinc/45/98/20/591459820.db2.gz BCBMKALOXFDYCI-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894905204 591467496 /nfs/dbraw/zinc/46/74/96/591467496.db2.gz BYCGIMPVBNSAMM-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897469797 591471720 /nfs/dbraw/zinc/47/17/20/591471720.db2.gz RBHBFSCIBVYTGG-MRXNPFEDSA-N 2 0 340.512 1.328 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000897470620 591473612 /nfs/dbraw/zinc/47/36/12/591473612.db2.gz HNPSAERUOFDKFB-QRQLOZEOSA-N 2 0 344.503 1.973 20 0 EDADRP CN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000896993719 591703620 /nfs/dbraw/zinc/70/36/20/591703620.db2.gz ROCJKLFQUAMHJP-OALUTQOASA-N 2 0 343.471 1.440 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc(F)c1 ZINC000895462522 591766949 /nfs/dbraw/zinc/76/69/49/591766949.db2.gz XXBWBWVRBJHHTC-GOSISDBHSA-N 2 0 349.450 1.655 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1cccs1 ZINC000895466558 591768028 /nfs/dbraw/zinc/76/80/28/591768028.db2.gz WTGXMIGJDDEGJO-HNNXBMFYSA-N 2 0 337.489 1.578 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(Cn3nnc(-c4cscn4)n3)C2)CC1 ZINC000902201760 591944513 /nfs/dbraw/zinc/94/45/13/591944513.db2.gz QYCOUYBEQFYXSQ-CYBMUJFWSA-N 2 0 333.465 1.418 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1(O)CCOCC1 ZINC000899867645 591966185 /nfs/dbraw/zinc/96/61/85/591966185.db2.gz RSTDXCZYWUMYAX-LJQANCHMSA-N 2 0 348.487 1.665 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000902345908 591977871 /nfs/dbraw/zinc/97/78/71/591977871.db2.gz NGFRFQJRPMTVOK-CQSZACIVSA-N 2 0 340.489 1.837 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(CN[C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000902388272 591990064 /nfs/dbraw/zinc/99/00/64/591990064.db2.gz NGYOTRNFFZQWMK-OAHLLOKOSA-N 2 0 339.505 1.805 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455399 591999304 /nfs/dbraw/zinc/99/93/04/591999304.db2.gz LTGBAWBRNSMKIN-BXKDBHETSA-N 2 0 341.253 1.814 20 0 EDADRP Cn1cncc1CCCON=C(N)[C@H]1CCC(=O)N(CC2CCC2)C1 ZINC000902614158 592026255 /nfs/dbraw/zinc/02/62/55/592026255.db2.gz RZDMASAUVDAVML-HNNXBMFYSA-N 2 0 347.463 1.890 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000900720951 592104087 /nfs/dbraw/zinc/10/40/87/592104087.db2.gz HUYSWFSGXOJZHX-UYAOXDASSA-N 2 0 345.487 1.614 20 0 EDADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903105329 592120879 /nfs/dbraw/zinc/12/08/79/592120879.db2.gz BADQFXKLCKHJAV-VQTJNVASSA-N 2 0 346.471 1.681 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000900791609 592125144 /nfs/dbraw/zinc/12/51/44/592125144.db2.gz HBAIWSNGZQYPDK-VIQWUECVSA-N 2 0 349.519 1.822 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccc3cc[nH]c3c2)C1)N1CC[NH2+]CC1 ZINC000903422335 592170549 /nfs/dbraw/zinc/17/05/49/592170549.db2.gz YVUGIZIMUXBVGI-QGZVFWFLSA-N 2 0 326.444 1.812 20 0 EDADRP CC[N@@H+]1CCC[C@H](CN(C)C[C@@H]2C[NH2+]C[C@H]2C)[C@@H]1c1cnn(C)c1 ZINC000903463692 592172308 /nfs/dbraw/zinc/17/23/08/592172308.db2.gz JCBCZCJHTVYEGL-VXIBKDFQSA-N 2 0 333.524 1.980 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1cc(C)ccc1C)C2 ZINC000903493682 592186162 /nfs/dbraw/zinc/18/61/62/592186162.db2.gz ZPKPRWOOAMQJCK-FCEWJHQRSA-N 2 0 332.444 1.895 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccnn1CC[NH+](C)C ZINC000900982976 592189548 /nfs/dbraw/zinc/18/95/48/592189548.db2.gz GWVWTCGGSWZHJK-HZPDHXFCSA-N 2 0 333.480 1.534 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903541117 592201919 /nfs/dbraw/zinc/20/19/19/592201919.db2.gz SGAHSQRYRXDQBW-AJNGGQMLSA-N 2 0 331.382 1.129 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000901026907 592203766 /nfs/dbraw/zinc/20/37/66/592203766.db2.gz QNERNOYYQHFKGU-SJLPKXTDSA-N 2 0 336.524 1.392 20 0 EDADRP C[NH+]1CCC2(CCCN(C(=O)C3C[NH+](C4CCOCC4)C3)C2)CC1 ZINC000907960832 592235175 /nfs/dbraw/zinc/23/51/75/592235175.db2.gz WSYFVQPTELVGPL-UHFFFAOYSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664590 592247126 /nfs/dbraw/zinc/24/71/26/592247126.db2.gz MFGDCUISEGFXES-CJNGLKHVSA-N 2 0 344.459 1.514 20 0 EDADRP Clc1ccccc1Cn1cc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904398998 592249812 /nfs/dbraw/zinc/24/98/12/592249812.db2.gz VZRMZYZUBBLEJB-UHFFFAOYSA-N 2 0 333.867 1.580 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2c(F)cc(O)cc2F)cnn1C ZINC000904432869 592255531 /nfs/dbraw/zinc/25/55/31/592255531.db2.gz IFOXNUPAPOCJKM-LBPRGKRZSA-N 2 0 338.402 1.662 20 0 EDADRP COc1ccc(C[N@H+](CCCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000904470935 592268788 /nfs/dbraw/zinc/26/87/88/592268788.db2.gz DBMLJTOYKLSYRP-QGZVFWFLSA-N 2 0 349.475 1.077 20 0 EDADRP CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@H]1COc2ccccc2O1 ZINC000903717441 592280688 /nfs/dbraw/zinc/28/06/88/592280688.db2.gz AKJSZTOCAVAART-TXPKVOOTSA-N 2 0 332.444 1.917 20 0 EDADRP CCCCN(C)C(=O)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722398 592283920 /nfs/dbraw/zinc/28/39/20/592283920.db2.gz LVUKSVOZPDZYFL-IEBWSBKVSA-N 2 0 337.508 1.726 20 0 EDADRP Oc1cccc(CN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736179 592299247 /nfs/dbraw/zinc/29/92/47/592299247.db2.gz HOZFXBYNBJWXTC-MOPGFXCFSA-N 2 0 331.460 1.278 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000906736292 592302609 /nfs/dbraw/zinc/30/26/09/592302609.db2.gz TWSPDTJJYBNHBG-MRXNPFEDSA-N 2 0 346.475 1.644 20 0 EDADRP CCOCCN1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H]1CC ZINC000903740204 592303029 /nfs/dbraw/zinc/30/30/29/592303029.db2.gz SZHGERPWLMNHBK-OKZBNKHCSA-N 2 0 325.497 1.188 20 0 EDADRP CCn1ccnc1CN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740709 592303574 /nfs/dbraw/zinc/30/35/74/592303574.db2.gz JZWCQWVQRJSLOV-KRWDZBQOSA-N 2 0 347.507 1.179 20 0 EDADRP CCC[C@@H]1CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC[N@@H+]1CCOC ZINC000903756359 592313576 /nfs/dbraw/zinc/31/35/76/592313576.db2.gz QLOOSKUKOHVLCR-SQNIBIBYSA-N 2 0 325.497 1.188 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000906756988 592316864 /nfs/dbraw/zinc/31/68/64/592316864.db2.gz LEMOLYGRDZDYAV-UHFFFAOYSA-N 2 0 346.475 1.317 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903778367 592318866 /nfs/dbraw/zinc/31/88/66/592318866.db2.gz LXKRIJQVCPPJGD-UPJWGTAASA-N 2 0 333.358 1.484 20 0 EDADRP [NH3+]CC1([C@@H]2CCCCN2C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCC1 ZINC000903812662 592331411 /nfs/dbraw/zinc/33/14/11/592331411.db2.gz VSYRSSVENLCTQL-FHWLQOOXSA-N 2 0 331.504 1.901 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NC1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000904937598 592351250 /nfs/dbraw/zinc/35/12/50/592351250.db2.gz AMDKFZAXTDCPCP-LJQANCHMSA-N 2 0 344.503 1.975 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903887071 592364770 /nfs/dbraw/zinc/36/47/70/592364770.db2.gz YILNZZDVYFHVRA-MRXNPFEDSA-N 2 0 344.459 1.765 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903894953 592366181 /nfs/dbraw/zinc/36/61/81/592366181.db2.gz IRNVUIOUEXNOKP-DLBZAZTESA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cnn1C ZINC000903897674 592367136 /nfs/dbraw/zinc/36/71/36/592367136.db2.gz IHSVBUIROZDSLM-DOTOQJQBSA-N 2 0 329.448 1.394 20 0 EDADRP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnccn1 ZINC000906821802 592372544 /nfs/dbraw/zinc/37/25/44/592372544.db2.gz BHUIPPRJTBKQHT-INIZCTEOSA-N 2 0 345.491 1.647 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903909600 592375004 /nfs/dbraw/zinc/37/50/04/592375004.db2.gz GGTPNDUQHSLZOL-IRXDYDNUSA-N 2 0 332.496 1.366 20 0 EDADRP COC(=O)c1cn(C2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nn1 ZINC000903913878 592375974 /nfs/dbraw/zinc/37/59/74/592375974.db2.gz FGBVCVKKWMFNJZ-AGUYFDCRSA-N 2 0 333.436 1.232 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202080 592379445 /nfs/dbraw/zinc/37/94/45/592379445.db2.gz IFEWPQOGSGVXLK-ZWKOTPCHSA-N 2 0 331.460 1.081 20 0 EDADRP CCCNC(=O)C1([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903928179 592380455 /nfs/dbraw/zinc/38/04/55/592380455.db2.gz XDDMWLSCHUZSFC-MRXNPFEDSA-N 2 0 349.523 1.665 20 0 EDADRP COc1cc(CC[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)ccc1C ZINC000903926860 592380852 /nfs/dbraw/zinc/38/08/52/592380852.db2.gz VHIUHMHFGFMAAF-KRWDZBQOSA-N 2 0 330.476 1.995 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903931829 592383598 /nfs/dbraw/zinc/38/35/98/592383598.db2.gz JAIHPBJJWNWYHD-ATLSCFEFSA-N 3 0 348.495 1.063 20 0 EDADRP COc1cccc2c1OCC[C@H]2[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932746 592385422 /nfs/dbraw/zinc/38/54/22/592385422.db2.gz VJWUWZYAVQHCPP-WMLDXEAASA-N 2 0 344.459 1.968 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CCC(C)(C)[NH3+])CC1 ZINC000903938988 592386683 /nfs/dbraw/zinc/38/66/83/592386683.db2.gz ANQBDOKZCGOQIW-CYBMUJFWSA-N 2 0 327.469 1.284 20 0 EDADRP COC(=O)CC[C@@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903937038 592387211 /nfs/dbraw/zinc/38/72/11/592387211.db2.gz AHXOFBZIYSGMTO-HOTGVXAUSA-N 2 0 336.480 1.511 20 0 EDADRP Cc1cc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]n1 ZINC000903917418 592389091 /nfs/dbraw/zinc/38/90/91/592389091.db2.gz LTHSHGGGTFAYMW-HOTGVXAUSA-N 2 0 330.480 1.757 20 0 EDADRP C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C[C@@H]1OCCc2sccc21 ZINC000903947561 592393780 /nfs/dbraw/zinc/39/37/80/592393780.db2.gz AWQOFSJWHYOSJD-ZFWWWQNUSA-N 2 0 337.489 1.491 20 0 EDADRP [NH3+]CCN(Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1cccc(Cl)c1 ZINC000903953116 592393892 /nfs/dbraw/zinc/39/38/92/592393892.db2.gz AFKRNDQJCFDXMG-MRXNPFEDSA-N 2 0 348.882 1.817 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(C)nn(C)c1Cl)C2 ZINC000903978638 592399608 /nfs/dbraw/zinc/39/96/08/592399608.db2.gz IZICWBKWZFVGDL-RWSFTLGLSA-N 2 0 326.828 1.094 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCS[C@H](C(F)(F)F)C2)C1 ZINC000903986177 592404832 /nfs/dbraw/zinc/40/48/32/592404832.db2.gz HHESIJOHLDYHOF-MNOVXSKESA-N 2 0 325.400 1.163 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(c3ccn(C)n3)CC2)cnn1C ZINC000903987359 592406445 /nfs/dbraw/zinc/40/64/45/592406445.db2.gz DEQMJVNQUDLGEZ-OAHLLOKOSA-N 2 0 330.480 1.459 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000905109051 592409774 /nfs/dbraw/zinc/40/97/74/592409774.db2.gz BDSXSYWDXUEGLB-RLLQIKCJSA-N 2 0 349.519 1.334 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)ccn1 ZINC000904098030 592425052 /nfs/dbraw/zinc/42/50/52/592425052.db2.gz MHGKKGZDWUKEJF-VNHYZAJKSA-N 2 0 329.404 1.395 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905147786 592438174 /nfs/dbraw/zinc/43/81/74/592438174.db2.gz MFOXIKYPEYIOAX-UXHICEINSA-N 2 0 349.519 1.477 20 0 EDADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905365616 592516363 /nfs/dbraw/zinc/51/63/63/592516363.db2.gz CDHSYTPRRGOIRW-MSOLQXFVSA-N 2 0 334.460 1.009 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H]2CCCN(CC(F)F)C2)CC1 ZINC000908607107 592552062 /nfs/dbraw/zinc/55/20/62/592552062.db2.gz XSBVNJZEVPKKFJ-CQSZACIVSA-N 2 0 347.450 1.315 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905496382 592553640 /nfs/dbraw/zinc/55/36/40/592553640.db2.gz SIFFGWKUSAKWPK-DUQPFJRNSA-N 2 0 328.497 1.233 20 0 EDADRP Cc1[nH+]ccc(N2CC[C@H](N3CC[NH2+]CC3)C2)c1Br ZINC000905634952 592591970 /nfs/dbraw/zinc/59/19/70/592591970.db2.gz CKTRNSBYPMSIHA-LBPRGKRZSA-N 2 0 325.254 1.636 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CCc3nccn3C2)CC1 ZINC000907558326 592707606 /nfs/dbraw/zinc/70/76/06/592707606.db2.gz GJLWNYWVLMZCDX-QGZVFWFLSA-N 2 0 347.507 1.368 20 0 EDADRP C[C@H](CNC(=O)c1cscc1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000906072417 592737727 /nfs/dbraw/zinc/73/77/27/592737727.db2.gz KCMKPJKEQOMXEI-TXEJJXNPSA-N 2 0 340.493 1.108 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000906218438 592760586 /nfs/dbraw/zinc/76/05/86/592760586.db2.gz KSINFQRMRUBJQQ-YJLNNSPDSA-N 2 0 340.471 1.980 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccccc2C[NH3+])CCCCC1 ZINC000906644785 592865895 /nfs/dbraw/zinc/86/58/95/592865895.db2.gz NYWLIZZQQUFBPG-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911745972 592995930 /nfs/dbraw/zinc/99/59/30/592995930.db2.gz RUPVHMZMVOOXCJ-UNEWFSDZSA-N 2 0 345.443 1.780 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000911804097 593013526 /nfs/dbraw/zinc/01/35/26/593013526.db2.gz ZQUMDCFGUUCCIP-PVABEOQZSA-N 2 0 331.460 1.884 20 0 EDADRP CN1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)[C@H](C[NH3+])C1 ZINC000911877694 593029411 /nfs/dbraw/zinc/02/94/11/593029411.db2.gz CDWMSHBPEKUMMW-IUODEOHRSA-N 2 0 337.370 1.197 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911948107 593037883 /nfs/dbraw/zinc/03/78/83/593037883.db2.gz OZCPOBBWNJGOKB-UHFFFAOYSA-N 2 0 333.476 1.076 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](C)[C@@H](C(C)(C)C)C2)CC1 ZINC000912029877 593050084 /nfs/dbraw/zinc/05/00/84/593050084.db2.gz CFSWCKDCUCSSAI-QGZVFWFLSA-N 2 0 338.540 1.591 20 0 EDADRP O=C(C[C@]1(O)CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000912014746 593052252 /nfs/dbraw/zinc/05/22/52/593052252.db2.gz NZUZNILDZZUNJJ-LJQANCHMSA-N 2 0 337.508 1.796 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000912588504 593106747 /nfs/dbraw/zinc/10/67/47/593106747.db2.gz HZMLXLWBQCPKAC-UHFFFAOYSA-N 2 0 339.524 1.706 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2C[C@H]21 ZINC000806644781 593461700 /nfs/dbraw/zinc/46/17/00/593461700.db2.gz IHHUVMPKYVYNEI-FUHWJXTLSA-N 2 0 343.475 1.788 20 0 EDADRP CSC1(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000811890518 593485389 /nfs/dbraw/zinc/48/53/89/593485389.db2.gz TXMFHZYSNPYWJT-OAHLLOKOSA-N 2 0 342.553 1.987 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2ccccc2C)CC[NH2+]CC1 ZINC000817890726 593645646 /nfs/dbraw/zinc/64/56/46/593645646.db2.gz YATJOLNRPWZGQM-RDJZCZTQSA-N 2 0 334.460 1.939 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000818551717 593704421 /nfs/dbraw/zinc/70/44/21/593704421.db2.gz MZCKVOCPSYJPIZ-HNNXBMFYSA-N 2 0 340.431 1.254 20 0 EDADRP CON(C)C(=O)CC[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000818966000 593730943 /nfs/dbraw/zinc/73/09/43/593730943.db2.gz YALAMGNYIZDKHX-UHFFFAOYSA-N 2 0 348.491 1.588 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC[C@H](O)c2c(F)cccc2F)C1 ZINC000819004471 593733560 /nfs/dbraw/zinc/73/35/60/593733560.db2.gz PBKDMOQQWHJXNW-DOMZBBRYSA-N 2 0 341.402 1.175 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000819057125 593736190 /nfs/dbraw/zinc/73/61/90/593736190.db2.gz RRJHHMVVVWJYNL-KSFYIVLOSA-N 2 0 326.506 1.616 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135200 593740814 /nfs/dbraw/zinc/74/08/14/593740814.db2.gz VBOXWPUFZANJKZ-RBSFLKMASA-N 2 0 329.485 1.725 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)c1ccc(F)c(Br)c1 ZINC000819211270 593744448 /nfs/dbraw/zinc/74/44/48/593744448.db2.gz YCJCAFIZTSNNPC-AWEZNQCLSA-N 2 0 349.244 1.789 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccccc2Cl)CC1(C)C ZINC000819287188 593748487 /nfs/dbraw/zinc/74/84/87/593748487.db2.gz MYPGHWQJOCKOBG-INIZCTEOSA-N 2 0 325.884 1.989 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821626922 593887940 /nfs/dbraw/zinc/88/79/40/593887940.db2.gz FPOCEQBIODSTEO-UHFFFAOYSA-N 2 0 335.481 1.044 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821626861 593888325 /nfs/dbraw/zinc/88/83/25/593888325.db2.gz BWBQFBNIPNBXKC-UHFFFAOYSA-N 2 0 347.442 1.123 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)N1CC[NH+](C)CC1 ZINC000824569844 594040017 /nfs/dbraw/zinc/04/00/17/594040017.db2.gz KMKDAEWZFQGUCV-STQMWFEESA-N 2 0 347.442 1.292 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(Cl)n(C)n1 ZINC000822951455 594127754 /nfs/dbraw/zinc/12/77/54/594127754.db2.gz AKEVPZNEYHWQBF-CYBMUJFWSA-N 2 0 341.887 1.562 20 0 EDADRP CC(C)C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1ccnc1 ZINC000825146746 594136236 /nfs/dbraw/zinc/13/62/36/594136236.db2.gz GXHAUQQXGLWHAG-KURKYZTESA-N 2 0 349.523 1.668 20 0 EDADRP C/C(=C/C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cnccn1 ZINC000825886208 594268983 /nfs/dbraw/zinc/26/89/83/594268983.db2.gz CDHQJWUQNBHQQO-PEZBUJJGSA-N 2 0 333.480 1.612 20 0 EDADRP COc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000827892976 594299255 /nfs/dbraw/zinc/29/92/55/594299255.db2.gz YTPXDCGDYZKEAN-QZTJIDSGSA-N 2 0 347.503 1.744 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)COCC[NH3+])cc2F)CC1 ZINC000828609215 594462245 /nfs/dbraw/zinc/46/22/45/594462245.db2.gz KYNBEPTWIYPHLJ-UHFFFAOYSA-N 2 0 338.427 1.270 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831173869 594574841 /nfs/dbraw/zinc/57/48/41/594574841.db2.gz SWAOILUPUSOTMC-GOSISDBHSA-N 2 0 344.503 1.944 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000829436190 594613026 /nfs/dbraw/zinc/61/30/26/594613026.db2.gz NUTFGXOARJGPJE-UHFFFAOYSA-N 2 0 333.432 1.150 20 0 EDADRP CN(C[C@@H](O)C[NH+]1CCCC1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000832778948 594775995 /nfs/dbraw/zinc/77/59/95/594775995.db2.gz RAXUFWZFBDTYPD-OAHLLOKOSA-N 2 0 337.430 1.792 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000841019078 594840088 /nfs/dbraw/zinc/84/00/88/594840088.db2.gz BTAZXLNDTJLGSL-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)C[C@@H]2C1 ZINC000841437300 594900189 /nfs/dbraw/zinc/90/01/89/594900189.db2.gz INJPQCFIDGQXFT-MOPGFXCFSA-N 2 0 327.472 1.845 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847192 594964473 /nfs/dbraw/zinc/96/44/73/594964473.db2.gz SMHYWJJDYXAODU-OLZOCXBDSA-N 2 0 341.358 1.516 20 0 EDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000841851182 594965284 /nfs/dbraw/zinc/96/52/84/594965284.db2.gz MCJXUZQZJWLMLC-RWMBFGLXSA-N 2 0 328.819 1.592 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000841975002 594993526 /nfs/dbraw/zinc/99/35/26/594993526.db2.gz BNSBXATZEAZZRD-WMZOPIPTSA-N 2 0 332.492 1.800 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)CC[N@@H+]1C ZINC000843332368 595077356 /nfs/dbraw/zinc/07/73/56/595077356.db2.gz ROWPLBNVIVKGRT-UKRRQHHQSA-N 2 0 345.443 1.874 20 0 EDADRP COc1ccc2c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000842475208 595114526 /nfs/dbraw/zinc/11/45/26/595114526.db2.gz MOEALVYKCNWYKB-OAHLLOKOSA-N 2 0 343.427 1.281 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1c(Cl)ccnc1Cl ZINC000842482747 595118707 /nfs/dbraw/zinc/11/87/07/595118707.db2.gz XOBNJTOLWGLNSC-UHFFFAOYSA-N 2 0 341.264 1.077 20 0 EDADRP [NH3+]C1(CNC(=O)c2ccc[n+]([O-])c2)CC[NH+](Cc2ccccc2)CC1 ZINC000842513575 595124483 /nfs/dbraw/zinc/12/44/83/595124483.db2.gz ZGZRJJHIKNCLRE-UHFFFAOYSA-N 2 0 340.427 1.043 20 0 EDADRP C[C@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCCCCC[NH3+])CC2)C1 ZINC000846221020 595177210 /nfs/dbraw/zinc/17/72/10/595177210.db2.gz FVVJDYPGAOISBE-ZWKOTPCHSA-N 2 0 338.540 1.818 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844167239 595289418 /nfs/dbraw/zinc/28/94/18/595289418.db2.gz XXBRGCTXZRXNIX-GOSISDBHSA-N 2 0 333.476 1.913 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172082 595290975 /nfs/dbraw/zinc/29/09/75/595290975.db2.gz VHISJHCLGYCOKV-ZWKOTPCHSA-N 2 0 349.450 1.628 20 0 EDADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844174242 595291917 /nfs/dbraw/zinc/29/19/17/595291917.db2.gz SCOWGBCBKYPABD-RBUKOAKNSA-N 2 0 345.487 1.878 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC1 ZINC000844184905 595295894 /nfs/dbraw/zinc/29/58/94/595295894.db2.gz FCNXOFJZGUFIFO-QGZVFWFLSA-N 2 0 344.459 1.578 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000846667009 595296244 /nfs/dbraw/zinc/29/62/44/595296244.db2.gz ULRYBMNXJRSCIY-CQSZACIVSA-N 2 0 345.443 1.924 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000847311532 595393913 /nfs/dbraw/zinc/39/39/13/595393913.db2.gz GNQAQLZAEKRCEG-VQHPVUNQSA-N 2 0 336.480 1.166 20 0 EDADRP CC(C)(C)OC(=O)C[C@H](N)c1noc(Cc2cn3c(n2)CCCC3)n1 ZINC000844922819 595415235 /nfs/dbraw/zinc/41/52/35/595415235.db2.gz GUOKNFZEPNYYKQ-LBPRGKRZSA-N 2 0 347.419 1.925 20 0 EDADRP C[N@H+](CCOc1cccc(CNC(=[NH2+])NC2CC2)c1)C1CCOCC1 ZINC000849029927 595475420 /nfs/dbraw/zinc/47/54/20/595475420.db2.gz XKYAACXOBGHEQU-UHFFFAOYSA-N 2 0 346.475 1.953 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849541266 595560712 /nfs/dbraw/zinc/56/07/12/595560712.db2.gz MOKMLDZACWLBKN-KBAYOESNSA-N 2 0 349.523 1.690 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849561874 595569126 /nfs/dbraw/zinc/56/91/26/595569126.db2.gz LOSLOIMVDGHVDE-QCSYZSNVSA-N 2 0 345.491 1.054 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849571768 595574885 /nfs/dbraw/zinc/57/48/85/595574885.db2.gz IHWNWVJTQYLIJU-HZPDHXFCSA-N 2 0 342.447 1.555 20 0 EDADRP CC[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000852858874 595581058 /nfs/dbraw/zinc/58/10/58/595581058.db2.gz JTCKBDXGQRMAGV-JKSUJKDBSA-N 2 0 330.432 1.043 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861745 595583148 /nfs/dbraw/zinc/58/31/48/595583148.db2.gz IIKAZBGLCZKIDS-JKSUJKDBSA-N 2 0 330.432 1.118 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849599588 595588339 /nfs/dbraw/zinc/58/83/39/595588339.db2.gz CRRQXARQGCKZBY-DLBZAZTESA-N 2 0 349.523 1.690 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852895105 595602679 /nfs/dbraw/zinc/60/26/79/595602679.db2.gz XEKFFBJEBVKDMZ-HOCLYGCPSA-N 2 0 336.480 1.593 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3cn[nH]c32)(N2CCOCC2)CC1 ZINC000857868808 595637280 /nfs/dbraw/zinc/63/72/80/595637280.db2.gz CZQJVTPBAWXRNA-INIZCTEOSA-N 2 0 333.480 1.173 20 0 EDADRP C[NH+]1CCC(CNC(=S)NC[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000853054589 595650912 /nfs/dbraw/zinc/65/09/12/595650912.db2.gz PXQNVLQUGYZWCX-QGZVFWFLSA-N 2 0 338.565 1.914 20 0 EDADRP Cn1cc(C[NH2+]CCCC[NH+]2CCOCC2)c(Br)n1 ZINC000858099398 595700193 /nfs/dbraw/zinc/70/01/93/595700193.db2.gz MJLOTGBXKQIUPO-UHFFFAOYSA-N 2 0 331.258 1.385 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1(C)C ZINC000858178597 595721670 /nfs/dbraw/zinc/72/16/70/595721670.db2.gz YVOQDKPHYUKEHK-HUUCEWRRSA-N 2 0 326.481 1.865 20 0 EDADRP [NH3+]CCCCCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000851668235 595877224 /nfs/dbraw/zinc/87/72/24/595877224.db2.gz SUAJTDHJONQKNG-GOSISDBHSA-N 2 0 348.491 1.572 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000851691008 595886697 /nfs/dbraw/zinc/88/66/97/595886697.db2.gz DHGHUFDBCVMMFA-QGZVFWFLSA-N 2 0 348.491 1.196 20 0 EDADRP CCOP(=O)(OCC)[C@@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000851810382 595930744 /nfs/dbraw/zinc/93/07/44/595930744.db2.gz DAKXFURLVKGLII-OAHLLOKOSA-N 2 0 343.364 1.788 20 0 EDADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956705 595985836 /nfs/dbraw/zinc/98/58/36/595985836.db2.gz ZVYXHIMMNJFGMB-GOEBONIOSA-N 2 0 329.485 1.534 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN3CCOCC3)C2)ccn1 ZINC000856591554 596024705 /nfs/dbraw/zinc/02/47/05/596024705.db2.gz NSQPJWLLMKTIHH-LJQANCHMSA-N 2 0 348.491 1.319 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](O)CSC)C2)ccn1 ZINC000856587167 596025716 /nfs/dbraw/zinc/02/57/16/596025716.db2.gz WSELGAWLXYXDFW-RDJZCZTQSA-N 2 0 339.505 1.710 20 0 EDADRP COC[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599645 596030262 /nfs/dbraw/zinc/03/02/62/596030262.db2.gz MFQVVKIQNHPMIP-WMZOPIPTSA-N 2 0 337.464 1.382 20 0 EDADRP CCCCCC[C@@](O)(C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078054 596036068 /nfs/dbraw/zinc/03/60/68/596036068.db2.gz JTAJWPCVDLSROZ-QZTJIDSGSA-N 2 0 326.481 1.889 20 0 EDADRP NC(=O)c1cc(F)ccc1N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000857086992 596154693 /nfs/dbraw/zinc/15/46/93/596154693.db2.gz PGTQRFIOEREICR-UHFFFAOYSA-N 2 0 336.455 1.956 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC000857113923 596160272 /nfs/dbraw/zinc/16/02/72/596160272.db2.gz KCZFQWUJDYBKQY-HNNXBMFYSA-N 2 0 334.464 1.650 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000866711512 596305168 /nfs/dbraw/zinc/30/51/68/596305168.db2.gz LWXSMUJCRXTWED-IXDOHACOSA-N 2 0 337.464 1.450 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712265 596305342 /nfs/dbraw/zinc/30/53/42/596305342.db2.gz SBMBPJJQEQXMLL-WCXIOVBPSA-N 2 0 337.464 1.449 20 0 EDADRP C[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870858537 596379678 /nfs/dbraw/zinc/37/96/78/596379678.db2.gz VMULMWWRVMQJHZ-ZDUSSCGKSA-N 2 0 326.238 1.659 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC[NH2+]CC1CC1 ZINC000870893126 596392872 /nfs/dbraw/zinc/39/28/72/596392872.db2.gz QDMFTECRGGIDQE-KRWDZBQOSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CCO1 ZINC000870938094 596412742 /nfs/dbraw/zinc/41/27/42/596412742.db2.gz FOKAZCLVAGVAEC-TVYUQYBPSA-N 2 0 342.237 1.024 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000870939644 596412786 /nfs/dbraw/zinc/41/27/86/596412786.db2.gz AITQLXZSBBCYSI-STQMWFEESA-N 2 0 326.238 1.707 20 0 EDADRP [NH3+][C@H](C(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1)c1cccc(Br)c1 ZINC000870959276 596418503 /nfs/dbraw/zinc/41/85/03/596418503.db2.gz BAHHMMWLHCPJAL-WHOFXGATSA-N 2 0 338.249 1.789 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974785 596423370 /nfs/dbraw/zinc/42/33/70/596423370.db2.gz PTXMLDIDLFUEQD-GUSZCTEKSA-N 2 0 326.444 1.685 20 0 EDADRP COCC[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456662 596581048 /nfs/dbraw/zinc/58/10/48/596581048.db2.gz PKEDVESJYNYXGX-GJZGRUSLSA-N 2 0 329.485 1.848 20 0 EDADRP C[C@H]([NH3+])CN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000863570688 596621993 /nfs/dbraw/zinc/62/19/93/596621993.db2.gz YUQSJDBASZAOKS-HOTGVXAUSA-N 2 0 332.492 1.435 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000869778051 596630242 /nfs/dbraw/zinc/63/02/42/596630242.db2.gz VJZJIZOVJBUXTP-SUMWQHHRSA-N 2 0 329.460 1.160 20 0 EDADRP O=C1NCCN1Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865815887 596694623 /nfs/dbraw/zinc/69/46/23/596694623.db2.gz PQJOAAABHNTIFU-ZWKOTPCHSA-N 2 0 328.460 1.928 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C/COc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870018119 596710339 /nfs/dbraw/zinc/71/03/39/596710339.db2.gz MSRBYWVOZLDJRO-BBUPJTBGSA-N 2 0 345.487 1.819 20 0 EDADRP CO[C@H]1CCC[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018647 596710719 /nfs/dbraw/zinc/71/07/19/596710719.db2.gz UXWFGIFVSPJCBE-VQHPVUNQSA-N 2 0 325.497 1.389 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868183467 596714207 /nfs/dbraw/zinc/71/42/07/596714207.db2.gz JQXDVTGAUWUIMJ-IXDOHACOSA-N 2 0 334.464 1.980 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225283 596734981 /nfs/dbraw/zinc/73/49/81/596734981.db2.gz QBIVZYHHXASDJM-XOKHGSTOSA-N 2 0 344.459 1.430 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868234981 596739532 /nfs/dbraw/zinc/73/95/32/596739532.db2.gz HMYBQQLCIVDGAV-JKSUJKDBSA-N 2 0 344.459 1.382 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868239293 596740963 /nfs/dbraw/zinc/74/09/63/596740963.db2.gz KIZUZXNCLRYXJO-YESZJQIVSA-N 2 0 344.459 1.382 20 0 EDADRP C[C@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H](C)N1CCOCC1 ZINC000868285948 596765993 /nfs/dbraw/zinc/76/59/93/596765993.db2.gz KTZGBMKUUAAZIE-WMTDPASSSA-N 2 0 340.512 1.658 20 0 EDADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144802 596810225 /nfs/dbraw/zinc/81/02/25/596810225.db2.gz HTXULTPLJRKNAS-ROUUACIJSA-N 2 0 338.492 1.663 20 0 EDADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000872154841 596815895 /nfs/dbraw/zinc/81/58/95/596815895.db2.gz BYSRYXSMXCLJKN-HNNXBMFYSA-N 2 0 335.448 1.394 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155652 596815963 /nfs/dbraw/zinc/81/59/63/596815963.db2.gz XPQAASREPADWTF-AWEZNQCLSA-N 2 0 334.464 1.824 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872188652 596826508 /nfs/dbraw/zinc/82/65/08/596826508.db2.gz YHPCQADUWFFTQV-OAHLLOKOSA-N 2 0 340.512 1.153 20 0 EDADRP CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000872201918 596833671 /nfs/dbraw/zinc/83/36/71/596833671.db2.gz LVVHPWWUIOHUNW-GOSISDBHSA-N 2 0 336.476 1.255 20 0 EDADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)c1nc(N)[nH+]c(N)n1 ZINC000866289851 596848741 /nfs/dbraw/zinc/84/87/41/596848741.db2.gz MSUOCCIEVIHDFN-CQSZACIVSA-N 2 0 327.436 1.527 20 0 EDADRP CCO[C@@H]1CCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875656493 596935366 /nfs/dbraw/zinc/93/53/66/596935366.db2.gz PGDBBZJTSLPUAB-QBPKDAKJSA-N 2 0 340.512 1.325 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CC[C@H]1C(=O)OC(C)(C)C ZINC000874382964 597050410 /nfs/dbraw/zinc/05/04/10/597050410.db2.gz XDICGMSEWWKOPF-HUUCEWRRSA-N 2 0 341.496 1.306 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1cccc(F)c1 ZINC000874432628 597076227 /nfs/dbraw/zinc/07/62/27/597076227.db2.gz ONHBHQDAPNAHQL-QILLFSRXSA-N 2 0 334.439 1.679 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000876519373 597228051 /nfs/dbraw/zinc/22/80/51/597228051.db2.gz XWKOPCBMCMMKRL-CQSZACIVSA-N 2 0 329.400 1.581 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226976 597234075 /nfs/dbraw/zinc/23/40/75/597234075.db2.gz FIVJRIONEOWQRQ-UZLBHIALSA-N 2 0 327.472 1.774 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CN1C1CC1 ZINC000873247065 597238671 /nfs/dbraw/zinc/23/86/71/597238671.db2.gz HSYXOQXBTZQLMT-DZGCQCFKSA-N 2 0 326.448 1.441 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)C1CC[NH+](C)CC1 ZINC000873246869 597238996 /nfs/dbraw/zinc/23/89/96/597238996.db2.gz CLSPUHXJABDCIB-CQSZACIVSA-N 3 0 328.464 1.546 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000873248796 597239463 /nfs/dbraw/zinc/23/94/63/597239463.db2.gz ISGJTWHTPIBDGA-RTBURBONSA-N 2 0 335.492 1.539 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000873261022 597241800 /nfs/dbraw/zinc/24/18/00/597241800.db2.gz AMWARVOLEVECFE-ZWKOTPCHSA-N 2 0 345.468 1.872 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000873261020 597241909 /nfs/dbraw/zinc/24/19/09/597241909.db2.gz AMWARVOLEVECFE-ROUUACIJSA-N 2 0 345.468 1.872 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](C(=O)OCc2ccccc2)C1 ZINC000873274261 597244902 /nfs/dbraw/zinc/24/49/02/597244902.db2.gz TYGOMEICHPGQDD-OGCZYDBJSA-N 2 0 332.444 1.850 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875071865 597269545 /nfs/dbraw/zinc/26/95/45/597269545.db2.gz UVFZGPRFUSCIHV-BRWVUGGUSA-N 3 0 341.544 1.098 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875075395 597272241 /nfs/dbraw/zinc/27/22/41/597272241.db2.gz ZOWPSQSCYLYPSC-CABCVRRESA-N 2 0 326.485 1.005 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)c1cccc(OC)c1 ZINC000876716281 597301333 /nfs/dbraw/zinc/30/13/33/597301333.db2.gz WQKUYJQIXXLSJP-IRXDYDNUSA-N 2 0 336.480 1.083 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)C1 ZINC000876718166 597303711 /nfs/dbraw/zinc/30/37/11/597303711.db2.gz MNWCWRWJCHONJT-JKSUJKDBSA-N 2 0 333.480 1.672 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876753356 597323292 /nfs/dbraw/zinc/32/32/92/597323292.db2.gz DMDBWEOQJMFCAA-DOTOQJQBSA-N 2 0 337.439 1.233 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876755654 597323869 /nfs/dbraw/zinc/32/38/69/597323869.db2.gz WFFIPRMRVQXIEE-HZPDHXFCSA-N 2 0 331.464 1.330 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)C1 ZINC000876763233 597328616 /nfs/dbraw/zinc/32/86/16/597328616.db2.gz DHSAFWBOIFTUFJ-XUXIUFHCSA-N 2 0 333.423 1.080 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)C1 ZINC000876774916 597335483 /nfs/dbraw/zinc/33/54/83/597335483.db2.gz KCCIDWVGIUMFTF-HOTGVXAUSA-N 2 0 333.480 1.530 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)nc2)CC1 ZINC000876784428 597339540 /nfs/dbraw/zinc/33/95/40/597339540.db2.gz FQMPMOSXFYTQSL-JKSUJKDBSA-N 2 0 345.491 1.924 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)C(F)F ZINC000876864442 597362452 /nfs/dbraw/zinc/36/24/52/597362452.db2.gz SLZXSAFMLBADDL-NXEZZACHSA-N 2 0 325.281 1.804 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876899940 597377426 /nfs/dbraw/zinc/37/74/26/597377426.db2.gz BKBLDYQGADBNMV-BBWFWOEESA-N 2 0 345.491 1.672 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921297 597385813 /nfs/dbraw/zinc/38/58/13/597385813.db2.gz ASMFTWTWEWABJR-DLBZAZTESA-N 3 0 348.466 1.044 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C)CCOCC2)C[C@H]1C[NH+](C)C ZINC000875359031 597398682 /nfs/dbraw/zinc/39/86/82/597398682.db2.gz HPYVWTHPTFJOHT-HZPDHXFCSA-N 2 0 340.512 1.184 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000876984448 597405149 /nfs/dbraw/zinc/40/51/49/597405149.db2.gz IHQUVVZJHQMJKI-CXAGYDPISA-N 2 0 334.489 1.872 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1c2ccc(C)cc2[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000877030366 597416519 /nfs/dbraw/zinc/41/65/19/597416519.db2.gz FBRREHUJQXQWJR-HLLBOEOZSA-N 2 0 345.443 1.410 20 0 EDADRP CCO[C@@H]1COCC[C@H]1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877198962 597459211 /nfs/dbraw/zinc/45/92/11/597459211.db2.gz BDBHNWGEUDIWEY-GOEBONIOSA-N 2 0 348.447 1.261 20 0 EDADRP C[NH+]1CCC(CNC(=O)C[C@H]2C[NH2+]CCO2)(c2ccccc2)CC1 ZINC000877227973 597467917 /nfs/dbraw/zinc/46/79/17/597467917.db2.gz RGAPYYFCJOHVFG-KRWDZBQOSA-N 2 0 331.460 1.145 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877235457 597473006 /nfs/dbraw/zinc/47/30/06/597473006.db2.gz IJRDWUDCYKOGEE-TWKWOARYSA-N 2 0 345.487 1.974 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC34CC[NH2+]CC4)C[C@H]2[NH3+])cc1 ZINC000877237839 597473931 /nfs/dbraw/zinc/47/39/31/597473931.db2.gz LNSQGXTTYSKYOK-YESZJQIVSA-N 2 0 329.444 1.338 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250291 597479617 /nfs/dbraw/zinc/47/96/17/597479617.db2.gz OOQQFSBWHJTDBW-ARFHVFGLSA-N 2 0 331.464 1.282 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1C(F)(F)F ZINC000877371119 597503418 /nfs/dbraw/zinc/50/34/18/597503418.db2.gz LXOYOOKKJGWBIH-MGPQQGTHSA-N 2 0 327.350 1.297 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000877403098 597510605 /nfs/dbraw/zinc/51/06/05/597510605.db2.gz MZPBHJDWBNRRRI-QGZVFWFLSA-N 2 0 336.524 1.443 20 0 EDADRP CCOC(=O)c1cc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)on1 ZINC000877664781 597545960 /nfs/dbraw/zinc/54/59/60/597545960.db2.gz WMIYLBVQGDIHFN-UHFFFAOYSA-N 2 0 339.436 1.642 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(-n3cncn3)cc2)C[C@H]1C[NH+](C)C ZINC000877669736 597546621 /nfs/dbraw/zinc/54/66/21/597546621.db2.gz XCVGDNSGGYAKRD-QZTJIDSGSA-N 2 0 342.491 1.439 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000877719525 597550856 /nfs/dbraw/zinc/55/08/56/597550856.db2.gz BQYLCCGQKFLNFH-OTVXOJSOSA-N 2 0 326.481 1.932 20 0 EDADRP C(C(C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)C1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000877982449 597567834 /nfs/dbraw/zinc/56/78/34/597567834.db2.gz UBDVFSSIVMMADQ-QGFMHUBQSA-N 3 0 332.536 1.095 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878158714 597582941 /nfs/dbraw/zinc/58/29/41/597582941.db2.gz LZKSZZDYSPOCRM-DLBZAZTESA-N 2 0 328.497 1.475 20 0 EDADRP COC(=O)[C@@H](C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878267385 597591396 /nfs/dbraw/zinc/59/13/96/597591396.db2.gz WDHLHOPAMIMGCN-KSSFIOAISA-N 2 0 347.459 1.337 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CC2(CO1)CCOCC2 ZINC000878316212 597595013 /nfs/dbraw/zinc/59/50/13/597595013.db2.gz CZVVBDPTSXMPMO-QGZVFWFLSA-N 2 0 325.497 1.141 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](CCc3ccc4c(c3)CCO4)CC2)CC1 ZINC000879592784 597649082 /nfs/dbraw/zinc/64/90/82/597649082.db2.gz PWMGOIHAEFWREW-UHFFFAOYSA-N 2 0 329.488 1.876 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnc(C3CC3)nc2)C[C@H]1C[NH+](C)C ZINC000878601878 597651057 /nfs/dbraw/zinc/65/10/57/597651057.db2.gz PKPWPHXFQDHUHD-HUUCEWRRSA-N 2 0 346.479 1.557 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000878657334 597669134 /nfs/dbraw/zinc/66/91/34/597669134.db2.gz JRBFLUTZEYRATH-INIZCTEOSA-N 2 0 333.480 1.056 20 0 EDADRP CON(C)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000883171994 597676153 /nfs/dbraw/zinc/67/61/53/597676153.db2.gz PTONPFBLTRCCDC-UHFFFAOYSA-N 2 0 326.872 1.675 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878689217 597679408 /nfs/dbraw/zinc/67/94/08/597679408.db2.gz DDOJVQCJPDYJNX-KRWDZBQOSA-N 2 0 339.524 1.720 20 0 EDADRP CC(C)C[N@@H+](Cc1nnc2c(=O)n(C)ccn12)CC1CC[NH+](C)CC1 ZINC000879705287 597695790 /nfs/dbraw/zinc/69/57/90/597695790.db2.gz MLWOPLPXRPMULH-UHFFFAOYSA-N 2 0 346.479 1.228 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C(C)C ZINC000883288445 597700415 /nfs/dbraw/zinc/70/04/15/597700415.db2.gz FKGUYPOLUBTNBW-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCC3(CCC3)O2)C1)[C@H]1CCC[NH2+]1 ZINC000883424604 597742052 /nfs/dbraw/zinc/74/20/52/597742052.db2.gz XQJVZZYSWRQNPK-GVDBMIGSSA-N 2 0 335.492 1.668 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883427269 597743469 /nfs/dbraw/zinc/74/34/69/597743469.db2.gz MTGPJRZFCKGJIM-CVEARBPZSA-N 2 0 339.480 1.034 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883437108 597746320 /nfs/dbraw/zinc/74/63/20/597746320.db2.gz JPDXFCSPAFDUIO-CVEARBPZSA-N 2 0 347.463 1.022 20 0 EDADRP CC1(C)[C@H]([NH2+]CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000883441953 597748596 /nfs/dbraw/zinc/74/85/96/597748596.db2.gz BDJMZUTYUJGIDJ-DLBZAZTESA-N 2 0 346.475 1.567 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2cc[nH]c2c1 ZINC000878944805 597762551 /nfs/dbraw/zinc/76/25/51/597762551.db2.gz AUHYGOJZJGCFRO-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001370 597781264 /nfs/dbraw/zinc/78/12/64/597781264.db2.gz VPXLFQJSQLYHKH-SJORKVTESA-N 2 0 328.497 1.333 20 0 EDADRP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC(=O)NC(N)=O)C2 ZINC000880020416 597811323 /nfs/dbraw/zinc/81/13/23/597811323.db2.gz JDRACGKIMSVLRW-MAUKXSAKSA-N 2 0 330.432 1.025 20 0 EDADRP COCC[N@H+](CCC(=O)NC1CCCC1)CC1CC[NH+](C)CC1 ZINC000879125172 597826719 /nfs/dbraw/zinc/82/67/19/597826719.db2.gz RWTWZXPIHVLIBS-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879239845 597862056 /nfs/dbraw/zinc/86/20/56/597862056.db2.gz HTMYBGKFSXPXOO-QUCCMNQESA-N 2 0 345.487 1.785 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000880250422 597882963 /nfs/dbraw/zinc/88/29/63/597882963.db2.gz JUXSBMHOIJDHOD-HKUYNNGSSA-N 2 0 335.492 1.304 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000883801675 597907218 /nfs/dbraw/zinc/90/72/18/597907218.db2.gz ITJVGSYHOJNMRZ-QZTJIDSGSA-N 2 0 330.476 1.963 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](CC2CC2)[C@@H](C(N)=O)C2CC2)CC1 ZINC000879485623 597932465 /nfs/dbraw/zinc/93/24/65/597932465.db2.gz FVLUHWMDIUTLLA-GOSISDBHSA-N 2 0 336.524 1.378 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000883895198 597934694 /nfs/dbraw/zinc/93/46/94/597934694.db2.gz SSIYLQOIWFGCLY-CQSZACIVSA-N 2 0 333.436 1.016 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000883898567 597936668 /nfs/dbraw/zinc/93/66/68/597936668.db2.gz BRGFGBKTHFZZNP-KRWDZBQOSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2nccnc21 ZINC000880784870 598007316 /nfs/dbraw/zinc/00/73/16/598007316.db2.gz VSAFJDOJFNYYRN-UHFFFAOYSA-N 2 0 330.436 1.587 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000884172728 598014039 /nfs/dbraw/zinc/01/40/39/598014039.db2.gz CJPXIGZBRPXJKJ-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884208116 598029916 /nfs/dbraw/zinc/02/99/16/598029916.db2.gz QJWMCWTYZPOXEM-ZDUSSCGKSA-N 2 0 344.253 1.143 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000884220282 598033668 /nfs/dbraw/zinc/03/36/68/598033668.db2.gz NDJODCADAIAQIL-INIZCTEOSA-N 2 0 325.497 1.567 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280062 598053189 /nfs/dbraw/zinc/05/31/89/598053189.db2.gz AKKRFZJBSYRJKT-APWZRJJASA-N 2 0 327.428 1.905 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884309922 598061873 /nfs/dbraw/zinc/06/18/73/598061873.db2.gz JJKZKDPEVSIWSZ-MRXNPFEDSA-N 2 0 333.432 1.339 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000884327735 598069327 /nfs/dbraw/zinc/06/93/27/598069327.db2.gz AWXFNZPWVLVIQF-FUHWJXTLSA-N 2 0 331.460 1.841 20 0 EDADRP C[NH2+][C@@H](CC(C)C)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000884431745 598103739 /nfs/dbraw/zinc/10/37/39/598103739.db2.gz FQUYRUVWJYCNPO-INIZCTEOSA-N 2 0 334.464 1.551 20 0 EDADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000884513654 598125056 /nfs/dbraw/zinc/12/50/56/598125056.db2.gz OCTCJFRDPUBJCB-INIZCTEOSA-N 2 0 346.475 1.011 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C)C[NH+](C)C ZINC000914073893 695068259 /nfs/dbraw/zinc/06/82/59/695068259.db2.gz TZQVYKGXRLNVQZ-ARFHVFGLSA-N 2 0 328.501 1.515 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2csnn2)C1)C12CCC[NH+]1CCC2 ZINC000995017558 699983637 /nfs/dbraw/zinc/98/36/37/699983637.db2.gz WACLDNQISAXODY-KBPBESRZSA-N 2 0 349.504 1.541 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992764454 695299891 /nfs/dbraw/zinc/29/98/91/695299891.db2.gz BORVESLLWZPVHI-JQFCIGGWSA-N 2 0 328.416 1.157 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C[NH+](C)C ZINC000914314522 695351955 /nfs/dbraw/zinc/35/19/55/695351955.db2.gz XKPICZQHKJRWCQ-JZXOWHBKSA-N 2 0 342.528 1.763 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2ccon2)C1)C12CCC[NH+]1CCC2 ZINC000995018415 700010182 /nfs/dbraw/zinc/01/01/82/700010182.db2.gz ZPARQQRZNNDYAJ-LSDHHAIUSA-N 2 0 332.448 1.678 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC000993505249 696184079 /nfs/dbraw/zinc/18/40/79/696184079.db2.gz UBNVHILIPFOBFG-WMLDXEAASA-N 2 0 330.432 1.872 20 0 EDADRP Cc1ncc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H]2C)o1 ZINC000993758988 696352139 /nfs/dbraw/zinc/35/21/39/696352139.db2.gz JUSFWFYSJDZUKY-GUYCJALGSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nccnc1CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758978 696352197 /nfs/dbraw/zinc/35/21/97/696352197.db2.gz JULDVEHCCZEXMD-WBVHZDCISA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993991350 696484761 /nfs/dbraw/zinc/48/47/61/696484761.db2.gz UKHNRUKUVBEHEC-FUHWJXTLSA-N 2 0 347.507 1.994 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCCN1Cc1cncc(F)c1 ZINC000994406657 696830189 /nfs/dbraw/zinc/83/01/89/696830189.db2.gz KDAXOTSQFLYTRN-PBHICJAKSA-N 2 0 334.439 1.786 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CCCC1 ZINC000916971391 696866043 /nfs/dbraw/zinc/86/60/43/696866043.db2.gz DOKQOSGCHDHEBL-HZPDHXFCSA-N 2 0 340.537 1.740 20 0 EDADRP CN1CCO[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001031596946 697297640 /nfs/dbraw/zinc/29/76/40/697297640.db2.gz SNEBHAPSCRSQIN-MSOLQXFVSA-N 2 0 347.434 1.192 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000919627075 697307308 /nfs/dbraw/zinc/30/73/08/697307308.db2.gz FDOOETZAYUGQBK-OWCLPIDISA-N 2 0 338.521 1.350 20 0 EDADRP CC1(C)[NH2+]CC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000925479070 697412452 /nfs/dbraw/zinc/41/24/52/697412452.db2.gz QJZWKMWPLUBTLQ-NSHDSACASA-N 2 0 343.415 1.278 20 0 EDADRP C[NH+]1CCC(NC(=S)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000920307841 697419183 /nfs/dbraw/zinc/41/91/83/697419183.db2.gz PXJSAAWNPHYEPO-KRWDZBQOSA-N 2 0 332.517 1.819 20 0 EDADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)CN2CCCC2)C1 ZINC000921113068 697515548 /nfs/dbraw/zinc/51/55/48/697515548.db2.gz VZZIWVBIVQTBNY-GVDBMIGSSA-N 2 0 325.497 1.460 20 0 EDADRP CC[N@H+]1C[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)[C@@H](C)C1 ZINC000921406547 697594859 /nfs/dbraw/zinc/59/48/59/697594859.db2.gz KOWGEZWKMGSTRW-XIRDDKMYSA-N 2 0 333.480 1.714 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cncc(C)c2)C1 ZINC001031710955 697715694 /nfs/dbraw/zinc/71/56/94/697715694.db2.gz ARXPHSJCNQZJNU-GOSISDBHSA-N 2 0 330.476 1.812 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2oc(C)nc2C)C1 ZINC001031713747 697736033 /nfs/dbraw/zinc/73/60/33/697736033.db2.gz DTEYBZXIZCKIRH-MRXNPFEDSA-N 2 0 334.464 1.714 20 0 EDADRP O=C(NCC1C[NH+](CCC2CC2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031727478 697955692 /nfs/dbraw/zinc/95/56/92/697955692.db2.gz IDYUULPPVNSELC-SFHVURJKSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727939 698003090 /nfs/dbraw/zinc/00/30/90/698003090.db2.gz ZOZZVJAKNHUFOK-PBHICJAKSA-N 2 0 341.471 1.426 20 0 EDADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288834 698048659 /nfs/dbraw/zinc/04/86/59/698048659.db2.gz NHUOHQJWHMNMBW-SJLPKXTDSA-N 2 0 347.507 1.442 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031729610 698055354 /nfs/dbraw/zinc/05/53/54/698055354.db2.gz RBPZFECOQTZOID-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CC[NH2+]C1 ZINC000237622986 698229154 /nfs/dbraw/zinc/22/91/54/698229154.db2.gz XLSMPQCUOBDWKE-QAPCUYQASA-N 2 0 331.416 1.534 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001060755967 698299635 /nfs/dbraw/zinc/29/96/35/698299635.db2.gz XHNMOMLUDNWTGI-BZUAXINKSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518422 698433034 /nfs/dbraw/zinc/43/30/34/698433034.db2.gz RYTXQYRXEQMVLB-AEFFLSMTSA-N 2 0 349.523 1.931 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000940115387 700230479 /nfs/dbraw/zinc/23/04/79/700230479.db2.gz KEKYUIDVUJYFRA-KRWDZBQOSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487766 701556038 /nfs/dbraw/zinc/55/60/38/701556038.db2.gz QWNNPUUUHXNMGK-UHFFFAOYSA-N 2 0 341.459 1.432 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031765138 699050504 /nfs/dbraw/zinc/05/05/04/699050504.db2.gz BMNDBPPTUPKWSQ-ROUUACIJSA-N 2 0 335.492 1.478 20 0 EDADRP CCOC1CC(C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001031765490 699051823 /nfs/dbraw/zinc/05/18/23/699051823.db2.gz YHMKKARTIRKFOR-UHFFFAOYSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501761 701561466 /nfs/dbraw/zinc/56/14/66/701561466.db2.gz HEIQQTDHFFOTNF-IBGZPJMESA-N 2 0 348.535 1.345 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939063367 699109346 /nfs/dbraw/zinc/10/93/46/699109346.db2.gz DZFPQRPCZLMCGG-WMLDXEAASA-N 2 0 333.480 1.181 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939063267 699110279 /nfs/dbraw/zinc/11/02/79/699110279.db2.gz CGOBOIJTJOBPOS-GUYCJALGSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054601 699114869 /nfs/dbraw/zinc/11/48/69/699114869.db2.gz LXRSTGHHCNBERD-YJBOKZPZSA-N 2 0 330.476 1.668 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941532238 701572790 /nfs/dbraw/zinc/57/27/90/701572790.db2.gz UNFDUNYPFVEBGZ-IBGZPJMESA-N 2 0 348.535 1.632 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137098 699224023 /nfs/dbraw/zinc/22/40/23/699224023.db2.gz FGYIMZWDASHAAE-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939129552 699226952 /nfs/dbraw/zinc/22/69/52/699226952.db2.gz XTRFNCBSUMYVQE-RHSMWYFYSA-N 2 0 348.466 1.889 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3[nH]c(C)nc3C2)C1)OC ZINC001031787143 699242009 /nfs/dbraw/zinc/24/20/09/699242009.db2.gz BFZGZSUZMCVHGG-LSDHHAIUSA-N 2 0 334.464 1.296 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941595351 701587222 /nfs/dbraw/zinc/58/72/22/701587222.db2.gz HYEMHSJHCUXGMF-LJQANCHMSA-N 2 0 348.535 1.488 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939257156 699434532 /nfs/dbraw/zinc/43/45/32/699434532.db2.gz KJDASDVEEIAZGI-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939394916 699545046 /nfs/dbraw/zinc/54/50/46/699545046.db2.gz DSQDMLLHPBVFNI-WBVHZDCISA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939397127 699546912 /nfs/dbraw/zinc/54/69/12/699546912.db2.gz LMWHFVMXLLQAFY-RDJZCZTQSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164601 701603492 /nfs/dbraw/zinc/60/34/92/701603492.db2.gz AXQWDCRQARDEQG-AEFFLSMTSA-N 2 0 342.487 1.860 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000939543527 699684804 /nfs/dbraw/zinc/68/48/04/699684804.db2.gz DTFNXRWWDWLFGQ-PBHICJAKSA-N 2 0 331.435 1.858 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939544300 699685646 /nfs/dbraw/zinc/68/56/46/699685646.db2.gz JFVZGIGHCPMIRQ-BBRMVZONSA-N 2 0 332.423 1.253 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c1 ZINC000939545238 699687418 /nfs/dbraw/zinc/68/74/18/699687418.db2.gz NLBLGJZRTLRFMN-PBHICJAKSA-N 2 0 344.459 1.123 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCc1cccs1 ZINC000939550130 699698709 /nfs/dbraw/zinc/69/87/09/699698709.db2.gz GKXAGUARNRCKEM-GOEBONIOSA-N 2 0 333.501 1.823 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939552529 699702556 /nfs/dbraw/zinc/70/25/56/699702556.db2.gz ZUOPCCJUUAUGEM-WMLDXEAASA-N 2 0 339.443 1.793 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941677436 701615847 /nfs/dbraw/zinc/61/58/47/701615847.db2.gz RDHRSQCWFOOGFH-IYBDPMFKSA-N 2 0 340.487 1.047 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995004362 699902749 /nfs/dbraw/zinc/90/27/49/699902749.db2.gz CZKCBTXKSYZSJE-DOTOQJQBSA-N 2 0 346.475 1.986 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939755518 699906478 /nfs/dbraw/zinc/90/64/78/699906478.db2.gz QMQSENVUISLYFK-BBRMVZONSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939810180 699958474 /nfs/dbraw/zinc/95/84/74/699958474.db2.gz LEFPIOGSWXOYMA-ZFWWWQNUSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)ncn1 ZINC000939811813 699959778 /nfs/dbraw/zinc/95/97/78/699959778.db2.gz USVPZOZFOMLTPJ-YJBOKZPZSA-N 2 0 345.491 1.598 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)C1CC1 ZINC000940150549 700278054 /nfs/dbraw/zinc/27/80/54/700278054.db2.gz XMSCSQAGAMPVDW-DLBZAZTESA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(CO)cc2)CC1)[NH+](C)C ZINC000940337419 700495257 /nfs/dbraw/zinc/49/52/57/700495257.db2.gz KYFFPNFYTSNCMX-SFHVURJKSA-N 2 0 347.503 1.990 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000940328343 700506389 /nfs/dbraw/zinc/50/63/89/700506389.db2.gz HJUQCTKHNNSZRA-HNNXBMFYSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)C1 ZINC000940329884 700509536 /nfs/dbraw/zinc/50/95/36/700509536.db2.gz ZFEKCGQIMNAKEU-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426265 700620069 /nfs/dbraw/zinc/62/00/69/700620069.db2.gz MHRKTSMHXBANRA-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472165 700657522 /nfs/dbraw/zinc/65/75/22/700657522.db2.gz LVYNJBPBOSIVMB-UHFFFAOYSA-N 2 0 347.507 1.767 20 0 EDADRP COc1nccc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000940461498 700664503 /nfs/dbraw/zinc/66/45/03/700664503.db2.gz DCSUVKJGHUBEIX-UHFFFAOYSA-N 2 0 347.463 1.052 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940461874 700665287 /nfs/dbraw/zinc/66/52/87/700665287.db2.gz PEXZYMLJJGNCBR-AWEZNQCLSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081428 700711282 /nfs/dbraw/zinc/71/12/82/700711282.db2.gz VADLTKKBDXNRPZ-ZBFHGGJFSA-N 2 0 334.464 1.699 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736781 700877831 /nfs/dbraw/zinc/87/78/31/700877831.db2.gz JQTYJPKXGLIXNA-CVEARBPZSA-N 2 0 325.497 1.722 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170184 701676501 /nfs/dbraw/zinc/67/65/01/701676501.db2.gz WJZDWPAZRDUCQO-QWHCGFSZSA-N 2 0 335.477 1.008 20 0 EDADRP CO[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031917555 701017774 /nfs/dbraw/zinc/01/77/74/701017774.db2.gz AIZITMLFFWVOML-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC001031920799 701059464 /nfs/dbraw/zinc/05/94/64/701059464.db2.gz RPZKDMOYUVRQGR-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP CCN1CCO[C@@H](C(=O)NCC2CN([C@H](C)c3ccccc3F)C2)C1 ZINC001032197527 701695293 /nfs/dbraw/zinc/69/52/93/701695293.db2.gz NFLGEARPTULBQX-RDTXWAMCSA-N 2 0 349.450 1.655 20 0 EDADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)ncn1 ZINC000941217783 701404128 /nfs/dbraw/zinc/40/41/28/701404128.db2.gz SDBYQPFHXFNBQS-RDJZCZTQSA-N 2 0 345.491 1.453 20 0 EDADRP CC1(C)C[N@H+](Cc2cccnc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941220364 701410581 /nfs/dbraw/zinc/41/05/81/701410581.db2.gz CJOXISILGBXHJY-KRWDZBQOSA-N 2 0 330.476 1.894 20 0 EDADRP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221325 701411805 /nfs/dbraw/zinc/41/18/05/701411805.db2.gz QRYGAHCWGCQTRZ-MRXNPFEDSA-N 2 0 333.480 1.233 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518571 706604472 /nfs/dbraw/zinc/60/44/72/706604472.db2.gz XQUKXEIWXKBJCF-BBWFWOEESA-N 2 0 343.475 1.241 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001032129190 701813792 /nfs/dbraw/zinc/81/37/92/701813792.db2.gz RZRSUAAFJSRYIL-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncc2n1CC[C@@H](C(=O)NCC1CN(Cc3cccnc3)C1)C2 ZINC001031975578 701883921 /nfs/dbraw/zinc/88/39/21/701883921.db2.gz VWZODVJSVLVFCJ-QGZVFWFLSA-N 2 0 339.443 1.397 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976809 701930120 /nfs/dbraw/zinc/93/01/20/701930120.db2.gz SSINNEOWGFRUBW-YJBOKZPZSA-N 2 0 345.487 1.749 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190284 706632719 /nfs/dbraw/zinc/63/27/19/706632719.db2.gz PUIAURNLUANMTC-OWCLPIDISA-N 2 0 331.464 1.206 20 0 EDADRP CCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031977210 702014495 /nfs/dbraw/zinc/01/44/95/702014495.db2.gz AWKIEIOQKGAYMO-BEFAXECRSA-N 2 0 329.488 1.995 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032205713 702093908 /nfs/dbraw/zinc/09/39/08/702093908.db2.gz GJNBXRIPEKBGMS-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999223925 706657877 /nfs/dbraw/zinc/65/78/77/706657877.db2.gz OTGGAUNXMHOZMZ-UHFFFAOYSA-N 2 0 333.480 1.374 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccn3)C2)CC[N@@H+]1C ZINC000999208408 706661671 /nfs/dbraw/zinc/66/16/71/706661671.db2.gz MYXFRNPXMVUVNY-FGTMMUONSA-N 2 0 330.476 1.893 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H](NCc2nccs2)C(C)(C)C1 ZINC000995973900 702359323 /nfs/dbraw/zinc/35/93/23/702359323.db2.gz GEJNPWYKLCSOSU-UONOGXRCSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944166896 702404003 /nfs/dbraw/zinc/40/40/03/702404003.db2.gz ASXMSVOLUYBOFT-BBRMVZONSA-N 2 0 332.448 1.405 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170840 702414800 /nfs/dbraw/zinc/41/48/00/702414800.db2.gz VNHYRGINDVXPIA-ZFWWWQNUSA-N 2 0 334.489 1.566 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996102752 702521368 /nfs/dbraw/zinc/52/13/68/702521368.db2.gz VWIUDFMJGWJNJJ-QAPCUYQASA-N 2 0 347.503 1.612 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999225515 706682338 /nfs/dbraw/zinc/68/23/38/706682338.db2.gz VBVSQFZRVYKQHN-UHFFFAOYSA-N 2 0 334.464 1.936 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000996190607 702595491 /nfs/dbraw/zinc/59/54/91/702595491.db2.gz MEJJJEDRBKVSGD-MSOLQXFVSA-N 2 0 349.519 1.866 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)nn1C ZINC000996245746 702649307 /nfs/dbraw/zinc/64/93/07/702649307.db2.gz GVCHJHWMGAMMKZ-QGZVFWFLSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)on1 ZINC000996247253 702650575 /nfs/dbraw/zinc/65/05/75/702650575.db2.gz MZCIHHGUZJQRLZ-HZPDHXFCSA-N 2 0 336.480 1.896 20 0 EDADRP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000995210376 702685337 /nfs/dbraw/zinc/68/53/37/702685337.db2.gz LOOZOYVHXWLJRL-WBVHZDCISA-N 2 0 346.475 1.561 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302754 702694667 /nfs/dbraw/zinc/69/46/67/702694667.db2.gz YWGLCCRCMPDQQJ-CVEARBPZSA-N 2 0 347.507 1.714 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)Cc3cnc[nH]3)CC2(C)C)s1 ZINC000996353872 702731821 /nfs/dbraw/zinc/73/18/21/702731821.db2.gz DQOCDGBNHOYSCJ-ZDUSSCGKSA-N 2 0 333.461 1.744 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996385784 702749915 /nfs/dbraw/zinc/74/99/15/702749915.db2.gz JRVSDEXNFNXJJA-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399838 702756516 /nfs/dbraw/zinc/75/65/16/702756516.db2.gz TUPIXIXLCDOQIJ-PBHICJAKSA-N 2 0 348.491 1.842 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)CC1 ZINC000996471367 702824622 /nfs/dbraw/zinc/82/46/22/702824622.db2.gz KPXSZQGVRUOTNY-QGZVFWFLSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519048 702854614 /nfs/dbraw/zinc/85/46/14/702854614.db2.gz IHBGRBQECDUBNU-HNNXBMFYSA-N 2 0 332.448 1.405 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996521300 702856756 /nfs/dbraw/zinc/85/67/56/702856756.db2.gz VFMQYBITSUMFJS-OCCSQVGLSA-N 2 0 337.493 1.207 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC1CCOCC1 ZINC000996522601 702858300 /nfs/dbraw/zinc/85/83/00/702858300.db2.gz XXYYTTGXGKPIKQ-MRXNPFEDSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)s1 ZINC000996559235 702874461 /nfs/dbraw/zinc/87/44/61/702874461.db2.gz CVUVPTDIYAMWRA-QGZVFWFLSA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCC[NH+](CCCO)CC1 ZINC000948438926 702899736 /nfs/dbraw/zinc/89/97/36/702899736.db2.gz CPSIFGZBVZSCIB-QZTJIDSGSA-N 2 0 339.524 1.945 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996605413 702914819 /nfs/dbraw/zinc/91/48/19/702914819.db2.gz FCBBKCBTXAGJMS-LALPHHSUSA-N 2 0 335.452 1.360 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(CO)cc3)C(C)(C)C2)C1 ZINC000996610989 702916099 /nfs/dbraw/zinc/91/60/99/702916099.db2.gz LYJNACXULCZRQC-MSOLQXFVSA-N 2 0 345.487 1.457 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)ccn1 ZINC000996666552 702963597 /nfs/dbraw/zinc/96/35/97/702963597.db2.gz UFEFGJWYPHAXGB-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccccc1 ZINC001032315307 702968772 /nfs/dbraw/zinc/96/87/72/702968772.db2.gz ICYZZTDEEXMUIY-BQFCYCMXSA-N 2 0 329.444 1.445 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1)C1CC1 ZINC000996680706 702978915 /nfs/dbraw/zinc/97/89/15/702978915.db2.gz UIDFQUUJUCARDE-KRWDZBQOSA-N 2 0 346.475 1.973 20 0 EDADRP COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)ccc1C ZINC001032315746 702980411 /nfs/dbraw/zinc/98/04/11/702980411.db2.gz WUSUWECAUGRUIB-BZSNNMDCSA-N 2 0 343.471 1.883 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000996692230 702989460 /nfs/dbraw/zinc/98/94/60/702989460.db2.gz MCFKXEQNYXZKJF-IRXDYDNUSA-N 2 0 325.497 1.722 20 0 EDADRP CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC000995257241 702998911 /nfs/dbraw/zinc/99/89/11/702998911.db2.gz ITYIWUABEZDBFR-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996726092 703021183 /nfs/dbraw/zinc/02/11/83/703021183.db2.gz WIIZDZQBJJWQEZ-SFHVURJKSA-N 2 0 347.507 1.510 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996764518 703053228 /nfs/dbraw/zinc/05/32/28/703053228.db2.gz ACELYJSRCOLXPE-UHFFFAOYSA-N 2 0 346.479 1.007 20 0 EDADRP CC(C)N1CC[NH+](C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000996801852 703087819 /nfs/dbraw/zinc/08/78/19/703087819.db2.gz INHUBUREXGJZRW-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)[nH]1 ZINC000996867461 703140347 /nfs/dbraw/zinc/14/03/47/703140347.db2.gz ITVYOVUXGVYXPV-CYBMUJFWSA-N 2 0 348.495 1.629 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)no1 ZINC000996861450 703144490 /nfs/dbraw/zinc/14/44/90/703144490.db2.gz ZNZQLMTVQULLIG-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CC1 ZINC000996957169 703220359 /nfs/dbraw/zinc/22/03/59/703220359.db2.gz YEMGQJPPZZKZGX-APWZRJJASA-N 2 0 335.492 1.335 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000996997728 703254589 /nfs/dbraw/zinc/25/45/89/703254589.db2.gz GEKJJQUCTNLPOU-NVXWUHKLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)O1 ZINC000997000228 703257202 /nfs/dbraw/zinc/25/72/02/703257202.db2.gz OELYPGIIUCGDNJ-WBVHZDCISA-N 2 0 337.508 1.866 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997006207 703263377 /nfs/dbraw/zinc/26/33/77/703263377.db2.gz FLJAKSHUYFKRGB-CJNGLKHVSA-N 2 0 348.491 1.824 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000997006602 703263800 /nfs/dbraw/zinc/26/38/00/703263800.db2.gz NEKJQQUCAKRTTI-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997008032 703265487 /nfs/dbraw/zinc/26/54/87/703265487.db2.gz ULGSHLLSTODUFI-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997009076 703269616 /nfs/dbraw/zinc/26/96/16/703269616.db2.gz XUHYURPWTAPEGG-LBPRGKRZSA-N 2 0 337.493 1.269 20 0 EDADRP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)n1 ZINC000997012942 703272503 /nfs/dbraw/zinc/27/25/03/703272503.db2.gz YQEJJKSUFRYYKB-LIRRHRJNSA-N 2 0 344.503 1.977 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997013460 703273216 /nfs/dbraw/zinc/27/32/16/703273216.db2.gz ZPJJDJSHAIQOKU-SWLSCSKDSA-N 2 0 336.505 1.730 20 0 EDADRP O=C(Cc1cnc[nH]1)N1CCC([NH2+]Cc2nccn2C(F)F)CC1 ZINC000997056393 703301995 /nfs/dbraw/zinc/30/19/95/703301995.db2.gz XQLGJKWIZZTUGW-UHFFFAOYSA-N 2 0 338.362 1.325 20 0 EDADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CCF)CC1 ZINC000997092867 703339925 /nfs/dbraw/zinc/33/99/25/703339925.db2.gz FYMYKUJWGRWXIX-CQSZACIVSA-N 2 0 339.459 1.245 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000997182050 703466850 /nfs/dbraw/zinc/46/68/50/703466850.db2.gz GCNTWFITHYVGFM-LSDHHAIUSA-N 2 0 331.464 1.460 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000997184943 703473484 /nfs/dbraw/zinc/47/34/84/703473484.db2.gz AQAAYGOCMFQPNK-CVEARBPZSA-N 2 0 335.492 1.478 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185056 703473813 /nfs/dbraw/zinc/47/38/13/703473813.db2.gz OZWNZXHBLBTGSO-MRXNPFEDSA-N 2 0 347.507 1.368 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997185211 703474321 /nfs/dbraw/zinc/47/43/21/703474321.db2.gz FOUQCQUVNKLFGT-UHFFFAOYSA-N 2 0 342.447 1.276 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997188120 703477985 /nfs/dbraw/zinc/47/79/85/703477985.db2.gz OURCVWLJZWIBCG-UHFFFAOYSA-N 2 0 331.464 1.079 20 0 EDADRP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997202527 703483925 /nfs/dbraw/zinc/48/39/25/703483925.db2.gz HPQKQJDCWLIOLG-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000997192477 703489894 /nfs/dbraw/zinc/48/98/94/703489894.db2.gz KCRJNXBLRCWTMZ-UHFFFAOYSA-N 2 0 328.460 1.566 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000997260188 703539688 /nfs/dbraw/zinc/53/96/88/703539688.db2.gz GKOBCGATJUVDBO-KBAYOESNSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997356675 703587743 /nfs/dbraw/zinc/58/77/43/703587743.db2.gz LEQMWAXUTSWCLY-MRXNPFEDSA-N 2 0 345.487 1.979 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997360177 703590587 /nfs/dbraw/zinc/59/05/87/703590587.db2.gz MIGNHVQIVUAMQX-HOTGVXAUSA-N 2 0 347.507 1.416 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(NCc2csnn2)CC1 ZINC000997360648 703590784 /nfs/dbraw/zinc/59/07/84/703590784.db2.gz QDKTXFBDLJXVCU-BETUJISGSA-N 2 0 337.493 1.492 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997363581 703597143 /nfs/dbraw/zinc/59/71/43/703597143.db2.gz HTWOEJWRWIRILB-UHFFFAOYSA-N 2 0 335.452 1.335 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997364799 703598232 /nfs/dbraw/zinc/59/82/32/703598232.db2.gz NTRKYTYLHWXIOP-UHFFFAOYSA-N 2 0 348.495 1.255 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997366152 703599783 /nfs/dbraw/zinc/59/97/83/703599783.db2.gz YUWASBJHXSEJTH-UHFFFAOYSA-N 2 0 333.480 1.377 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000997366583 703600450 /nfs/dbraw/zinc/60/04/50/703600450.db2.gz HEJDSCNPXSAPFU-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000997366704 703600619 /nfs/dbraw/zinc/60/06/19/703600619.db2.gz JTPBUHZUVIDQJA-ZBFHGGJFSA-N 2 0 348.495 1.331 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997419878 703670063 /nfs/dbraw/zinc/67/00/63/703670063.db2.gz DFOCQDVGGGPIFQ-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC000997512339 703760443 /nfs/dbraw/zinc/76/04/43/703760443.db2.gz YKGGCEQYPHPDER-YOEHRIQHSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1c(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCOC2)ccc2c[nH+]cn21 ZINC001032488725 703763748 /nfs/dbraw/zinc/76/37/48/703763748.db2.gz OZXDYLCYWSSAMZ-PVAVHDDUSA-N 2 0 340.427 1.578 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032500707 703818774 /nfs/dbraw/zinc/81/87/74/703818774.db2.gz CPBTYYUUQSSQHE-JQFCIGGWSA-N 2 0 326.400 1.270 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997614426 703914144 /nfs/dbraw/zinc/91/41/44/703914144.db2.gz QRUPARRXBKZFFE-SWLSCSKDSA-N 2 0 335.452 1.361 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004204736 703944493 /nfs/dbraw/zinc/94/44/93/703944493.db2.gz VWXVOEBTNQDECB-GJZGRUSLSA-N 2 0 347.507 1.682 20 0 EDADRP CNC(=O)[C@@H](C)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004206469 703964166 /nfs/dbraw/zinc/96/41/66/703964166.db2.gz LUAGWHPSACTYMU-CQSZACIVSA-N 2 0 346.475 1.077 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554334 703968946 /nfs/dbraw/zinc/96/89/46/703968946.db2.gz WGNYEDICBYQRKV-HOCLYGCPSA-N 2 0 348.495 1.027 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CC[N@@H+]1C ZINC000999291486 706786888 /nfs/dbraw/zinc/78/68/88/706786888.db2.gz BVZCYXLVAFCKQN-JUVOFCAFSA-N 2 0 333.480 1.192 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC2CC[NH+](C[C@H](C)O)CC2)o1 ZINC001004241420 704074703 /nfs/dbraw/zinc/07/47/03/704074703.db2.gz JPAINFAUJLZZOM-AWEZNQCLSA-N 2 0 337.464 1.696 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592299 704242742 /nfs/dbraw/zinc/24/27/42/704242742.db2.gz GUABXZVRVRQEFO-RDGPPVDQSA-N 2 0 349.519 1.678 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2Cc2cnon2)CC1 ZINC001004367586 704334904 /nfs/dbraw/zinc/33/49/04/704334904.db2.gz DXXFASOXBNTZRY-IRXDYDNUSA-N 2 0 347.463 1.367 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004461236 704455113 /nfs/dbraw/zinc/45/51/13/704455113.db2.gz ZKWWPSLFUSSGNQ-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccn1 ZINC000947934201 704608655 /nfs/dbraw/zinc/60/86/55/704608655.db2.gz JQGYNZLNNVUUIA-HZPDHXFCSA-N 2 0 328.460 1.647 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)o1 ZINC001032219381 704622381 /nfs/dbraw/zinc/62/23/81/704622381.db2.gz XTPRMPJQQHPBBJ-HNNXBMFYSA-N 2 0 349.475 1.820 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785210 704689313 /nfs/dbraw/zinc/68/93/13/704689313.db2.gz UUFWVKYQJNEFHZ-QGZVFWFLSA-N 2 0 345.491 1.090 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCO1)[NH+]1CCCC1 ZINC001032557189 704730960 /nfs/dbraw/zinc/73/09/60/704730960.db2.gz ADYMQESLWQPWPJ-ULQDDVLXSA-N 2 0 335.492 1.715 20 0 EDADRP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001032557225 704731115 /nfs/dbraw/zinc/73/11/15/704731115.db2.gz CGUDMYRGVNPNEP-SAGYGOJTSA-N 2 0 349.519 1.961 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000997831083 704751388 /nfs/dbraw/zinc/75/13/88/704751388.db2.gz QARHAWRWOOLLOS-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997840139 704756431 /nfs/dbraw/zinc/75/64/31/704756431.db2.gz MSBWQZLCPTZNFI-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000997854948 704767152 /nfs/dbraw/zinc/76/71/52/704767152.db2.gz ICVRSKSOBIOQPO-WMLDXEAASA-N 2 0 333.480 1.706 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997860887 704771498 /nfs/dbraw/zinc/77/14/98/704771498.db2.gz CUPLUSPIZNBTJP-CZUORRHYSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000997865215 704772462 /nfs/dbraw/zinc/77/24/62/704772462.db2.gz MJBXZVRJTIXDFQ-KRWDZBQOSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000997871437 704777419 /nfs/dbraw/zinc/77/74/19/704777419.db2.gz LRTRUUQGOSNGJC-CVEARBPZSA-N 2 0 347.503 1.959 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000997889705 704791604 /nfs/dbraw/zinc/79/16/04/704791604.db2.gz ZMAOVLLAFUBVCT-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1 ZINC000997955074 705078965 /nfs/dbraw/zinc/07/89/65/705078965.db2.gz DGAXBQMVFYGFLO-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC000998033375 705223602 /nfs/dbraw/zinc/22/36/02/705223602.db2.gz ZVJNUFIATJITGV-ICSRJNTNSA-N 2 0 349.519 1.583 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998080870 705300361 /nfs/dbraw/zinc/30/03/61/705300361.db2.gz FFLHRNOUTCGQLP-GDBMZVCRSA-N 2 0 331.464 1.003 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)no1 ZINC000998080919 705300712 /nfs/dbraw/zinc/30/07/12/705300712.db2.gz FWEFXLJNHFIXGA-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000998082498 705310118 /nfs/dbraw/zinc/31/01/18/705310118.db2.gz PZZLIQYQGURSJV-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000998083033 705310931 /nfs/dbraw/zinc/31/09/31/705310931.db2.gz SZQSHTKEZIRKDA-INIZCTEOSA-N 2 0 347.507 1.573 20 0 EDADRP C[C@H](C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1)[NH+]1CCCCCC1 ZINC000998133566 705397807 /nfs/dbraw/zinc/39/78/07/705397807.db2.gz AUJZTXHWOXKIBB-OAHLLOKOSA-N 2 0 349.479 1.662 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998217681 705540083 /nfs/dbraw/zinc/54/00/83/705540083.db2.gz QSOZQZAZXBPWPX-MRXNPFEDSA-N 2 0 348.491 1.907 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)C1 ZINC000998218013 705540977 /nfs/dbraw/zinc/54/09/77/705540977.db2.gz VVRCSEOLVMMXNF-OAHLLOKOSA-N 2 0 336.505 1.813 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998218309 705541138 /nfs/dbraw/zinc/54/11/38/705541138.db2.gz ZUNYPIJQRCMBDP-INIZCTEOSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000998221749 705548100 /nfs/dbraw/zinc/54/81/00/705548100.db2.gz HBEKYCWKJFTFJL-UHFFFAOYSA-N 2 0 346.475 1.715 20 0 EDADRP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998266835 705635865 /nfs/dbraw/zinc/63/58/65/705635865.db2.gz RSAKOUAAZFDLRM-MRXNPFEDSA-N 2 0 348.491 1.825 20 0 EDADRP C[NH+]1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C2)CC1 ZINC000998284177 705679008 /nfs/dbraw/zinc/67/90/08/705679008.db2.gz FTPZECOFIDEPTM-OLZOCXBDSA-N 2 0 339.377 1.667 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000998286226 705682096 /nfs/dbraw/zinc/68/20/96/705682096.db2.gz JGSHOTNFIPRBAE-UHFFFAOYSA-N 2 0 347.507 1.624 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000998288552 705688549 /nfs/dbraw/zinc/68/85/49/705688549.db2.gz VZRVYBJPKDIGQK-HUUCEWRRSA-N 2 0 348.495 1.016 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000998290485 705691157 /nfs/dbraw/zinc/69/11/57/705691157.db2.gz URUBRAJFVKYTFL-KRWDZBQOSA-N 2 0 348.495 1.018 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1 ZINC001032626869 705728359 /nfs/dbraw/zinc/72/83/59/705728359.db2.gz NELPTHQSAQHIJF-NEWSRXKRSA-N 2 0 327.472 1.999 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000998728125 706158262 /nfs/dbraw/zinc/15/82/62/706158262.db2.gz BPVSJKOPYFIWLP-WMLDXEAASA-N 2 0 332.448 1.727 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998735104 706169094 /nfs/dbraw/zinc/16/90/94/706169094.db2.gz YUNDBEJFWDGBLZ-PBHICJAKSA-N 2 0 331.464 1.004 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000998865988 706295543 /nfs/dbraw/zinc/29/55/43/706295543.db2.gz JCBRQZDDWAAXDE-ABHNRTSZSA-N 2 0 347.507 1.682 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000999834900 707468049 /nfs/dbraw/zinc/46/80/49/707468049.db2.gz ZSWOMNCHCSTDFS-UHFFFAOYSA-N 2 0 345.491 1.394 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999036887 706451982 /nfs/dbraw/zinc/45/19/82/706451982.db2.gz XPXOSBFEFWJAFO-DAWZGUTISA-N 2 0 347.507 1.583 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]CCn2cccn2)C1 ZINC000999123309 706548426 /nfs/dbraw/zinc/54/84/26/706548426.db2.gz IFJQYFDSJGRFCV-UHFFFAOYSA-N 2 0 338.415 1.424 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999372174 706886561 /nfs/dbraw/zinc/88/65/61/706886561.db2.gz OLHXLXJNPSMYRG-MAUKXSAKSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)cn1 ZINC000999399264 706893746 /nfs/dbraw/zinc/89/37/46/706893746.db2.gz GQZHFFJXPNWKJQ-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999409130 706918962 /nfs/dbraw/zinc/91/89/62/706918962.db2.gz ORVMEQOJOHKLOP-GRTSSRMGSA-N 2 0 329.435 1.953 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1)[NH+](C)C ZINC000999435266 706942605 /nfs/dbraw/zinc/94/26/05/706942605.db2.gz RJHBOROUHLTMJR-SJORKVTESA-N 2 0 336.455 1.888 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437728 706945075 /nfs/dbraw/zinc/94/50/75/706945075.db2.gz YYOMRCGGIJTPHY-IRXDYDNUSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999515720 707015026 /nfs/dbraw/zinc/01/50/26/707015026.db2.gz YOLUNLKIRDOLLY-IAGOWNOFSA-N 2 0 333.480 1.293 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)cn1 ZINC000999490591 707026707 /nfs/dbraw/zinc/02/67/07/707026707.db2.gz RCGLDSUKIOFPCS-KRWDZBQOSA-N 2 0 345.491 1.377 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999575949 707083029 /nfs/dbraw/zinc/08/30/29/707083029.db2.gz RTPBYVZELVVJRA-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999595623 707098613 /nfs/dbraw/zinc/09/86/13/707098613.db2.gz HERVNRSIEGCPHW-HNNXBMFYSA-N 2 0 332.448 1.692 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999610004 707124545 /nfs/dbraw/zinc/12/45/45/707124545.db2.gz MMJJZAXRBDPDKQ-KRWDZBQOSA-N 2 0 342.443 1.955 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999703318 707234324 /nfs/dbraw/zinc/23/43/24/707234324.db2.gz DVCWOTOIUKOJBI-DOTOQJQBSA-N 2 0 342.443 1.955 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297754 707434235 /nfs/dbraw/zinc/43/42/35/707434235.db2.gz SYLXKAZZAXCNFU-AEFFLSMTSA-N 2 0 347.503 1.972 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819187 707585047 /nfs/dbraw/zinc/58/50/47/707585047.db2.gz WAVDFOCZRNLYGS-HCXYKTFWSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004930258 707678579 /nfs/dbraw/zinc/67/85/79/707678579.db2.gz STGRUNYEFVRGPV-PBHICJAKSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001033358953 707683962 /nfs/dbraw/zinc/68/39/62/707683962.db2.gz RUDYNZRNJOWZIC-SZMVWBNQSA-N 2 0 347.507 1.226 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2(C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)CC[N@@H+]1C ZINC001000161802 707785837 /nfs/dbraw/zinc/78/58/37/707785837.db2.gz PCCKFUQMCJUJOZ-JFIYKMOQSA-N 2 0 349.519 1.724 20 0 EDADRP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537379 707851117 /nfs/dbraw/zinc/85/11/17/707851117.db2.gz QVQWVLQLOCXDTQ-ISXWCOSWSA-N 2 0 335.492 1.476 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982025 707860287 /nfs/dbraw/zinc/86/02/87/707860287.db2.gz OGPUPXZNXQIKEV-HOCLYGCPSA-N 2 0 346.475 1.938 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCn2nc(C)cc2C)C1)[NH+](C)C ZINC001000228006 707893467 /nfs/dbraw/zinc/89/34/67/707893467.db2.gz QNIXEKNFJWZERX-SJORKVTESA-N 2 0 335.496 1.421 20 0 EDADRP COc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032781959 707971792 /nfs/dbraw/zinc/97/17/92/707971792.db2.gz OVIPRUSZDIOBFW-ULQDDVLXSA-N 2 0 329.444 1.432 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnon2)C1 ZINC001000377925 708003513 /nfs/dbraw/zinc/00/35/13/708003513.db2.gz LOGMWKPRZXWOIB-GOEBONIOSA-N 2 0 335.452 1.413 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001000920755 708076660 /nfs/dbraw/zinc/07/66/60/708076660.db2.gz WNHBUUQPPSXLBT-JKSUJKDBSA-N 2 0 332.448 1.123 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574951 708249159 /nfs/dbraw/zinc/24/91/59/708249159.db2.gz NYYOVAPHRWKDDP-MAUKXSAKSA-N 2 0 337.508 1.676 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](C[C@@H](C)OC)CC2)C1 ZINC001001751755 708274186 /nfs/dbraw/zinc/27/41/86/708274186.db2.gz ORWVGBYGIBFZAY-SJLPKXTDSA-N 2 0 339.524 1.972 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033593384 708293151 /nfs/dbraw/zinc/29/31/51/708293151.db2.gz LWROPQSXPVVHLZ-KRWDZBQOSA-N 2 0 345.462 1.997 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594509 708296990 /nfs/dbraw/zinc/29/69/90/708296990.db2.gz QTJVWOKVQOFSFZ-QGZVFWFLSA-N 2 0 345.491 1.128 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033595432 708299241 /nfs/dbraw/zinc/29/92/41/708299241.db2.gz TZTXPPYCVNNGDK-KGLIPLIRSA-N 2 0 343.418 1.039 20 0 EDADRP CC[C@@H](C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1)OC ZINC001001794583 708309053 /nfs/dbraw/zinc/30/90/53/708309053.db2.gz HSBDUVXGBRYBJX-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665813 708449486 /nfs/dbraw/zinc/44/94/86/708449486.db2.gz RRKIDQSSRBYWTP-HUUCEWRRSA-N 2 0 336.505 1.744 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684339 708496205 /nfs/dbraw/zinc/49/62/05/708496205.db2.gz MXICVSBGJRVAPH-CRAIPNDOSA-N 2 0 333.476 1.929 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033831131 708853048 /nfs/dbraw/zinc/85/30/48/708853048.db2.gz TUEOXZOHTSXDFU-MOPGFXCFSA-N 2 0 342.487 1.846 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CCCF)CC1 ZINC001005408655 708916506 /nfs/dbraw/zinc/91/65/06/708916506.db2.gz FLACQTIQFDFUEF-UHFFFAOYSA-N 2 0 339.459 1.341 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC001005413958 708930410 /nfs/dbraw/zinc/93/04/10/708930410.db2.gz WDTUYPXDHBEOIE-CRAIPNDOSA-N 2 0 330.476 1.845 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccccc2F)CC1 ZINC001002477198 709014214 /nfs/dbraw/zinc/01/42/14/709014214.db2.gz XVPGMQOSFRMXIC-QGZVFWFLSA-N 2 0 349.450 1.879 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033928491 709060694 /nfs/dbraw/zinc/06/06/94/709060694.db2.gz ZDXPVZNRVGKWIP-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033938548 709142906 /nfs/dbraw/zinc/14/29/06/709142906.db2.gz YGQTUTNAVOYRRV-BZSNNMDCSA-N 2 0 347.507 1.536 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001034014002 709228598 /nfs/dbraw/zinc/22/85/98/709228598.db2.gz SSMIRBJBYPFPBG-QGZVFWFLSA-N 2 0 328.460 1.600 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001034014702 709229723 /nfs/dbraw/zinc/22/97/23/709229723.db2.gz CJRDCKRPKVQQOT-IRXDYDNUSA-N 2 0 335.492 1.574 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001034039555 709272327 /nfs/dbraw/zinc/27/23/27/709272327.db2.gz KCXMGPGFGUEINX-HUUCEWRRSA-N 2 0 329.435 1.906 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](CCCO)CC1 ZINC001005503924 709328704 /nfs/dbraw/zinc/32/87/04/709328704.db2.gz LLZNPWOGZRKPJY-QGZVFWFLSA-N 2 0 325.497 1.555 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)CCC2 ZINC000921980612 709348865 /nfs/dbraw/zinc/34/88/65/709348865.db2.gz NRFFHVMWYKITOS-QGZVFWFLSA-N 2 0 340.471 1.765 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002815699 709430817 /nfs/dbraw/zinc/43/08/17/709430817.db2.gz PZHXYQVFNDXIMP-HNNXBMFYSA-N 2 0 338.496 1.095 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831328 709442455 /nfs/dbraw/zinc/44/24/55/709442455.db2.gz FAWBEEZEUDYOOT-QGZVFWFLSA-N 2 0 346.475 1.659 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032831309 709494236 /nfs/dbraw/zinc/49/42/36/709494236.db2.gz IYCNOCXQJIBUSQ-BPQIPLTHSA-N 2 0 331.460 1.252 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034204268 709526179 /nfs/dbraw/zinc/52/61/79/709526179.db2.gz LHNCCWLJQAYWER-MSOLQXFVSA-N 2 0 347.507 1.727 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001034215309 709568381 /nfs/dbraw/zinc/56/83/81/709568381.db2.gz XTIOHJRJQUTYDL-SOLBZPMBSA-N 2 0 347.507 1.274 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000922097941 709668501 /nfs/dbraw/zinc/66/85/01/709668501.db2.gz FASXGKBQRQOVHB-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365150 709885880 /nfs/dbraw/zinc/88/58/80/709885880.db2.gz QBQWVOXCSWOIGW-CVEARBPZSA-N 2 0 334.464 1.371 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCOC3CCC3)C2)CC1 ZINC001034387422 709916734 /nfs/dbraw/zinc/91/67/34/709916734.db2.gz YQYZMSDMXBAIJP-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400025 709943574 /nfs/dbraw/zinc/94/35/74/709943574.db2.gz WSHSBIHKPRRHBQ-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CC[C@H](F)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331604 710256014 /nfs/dbraw/zinc/25/60/14/710256014.db2.gz HNXGLCIIXOZKAH-NOAVELHRSA-N 2 0 339.455 1.178 20 0 EDADRP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003333711 710257785 /nfs/dbraw/zinc/25/77/85/710257785.db2.gz SJALKBCQCVAFBS-ZFPPJQFZSA-N 2 0 339.867 1.183 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCO[C@H]3CC3(F)F)C2)CC[N@@H+]1C ZINC001032840116 710289164 /nfs/dbraw/zinc/28/91/64/710289164.db2.gz SVPLIYPGUZRPRV-XQLPTFJDSA-N 2 0 345.434 1.331 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001003627546 710457529 /nfs/dbraw/zinc/45/75/29/710457529.db2.gz GJDQKUYKVQQKNY-RDJZCZTQSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001003739436 710520108 /nfs/dbraw/zinc/52/01/08/710520108.db2.gz FEXABKQOIUGKCQ-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001034673516 710611318 /nfs/dbraw/zinc/61/13/18/710611318.db2.gz CABIUIHPYFGYTC-JYJNAYRXSA-N 2 0 334.464 1.984 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737572 710950429 /nfs/dbraw/zinc/95/04/29/710950429.db2.gz MUBPCPZGWWTQMI-VQHPVUNQSA-N 2 0 347.507 1.618 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034748493 710955363 /nfs/dbraw/zinc/95/53/63/710955363.db2.gz WITNMRJJHSBPOG-QAQDUYKDSA-N 2 0 347.507 1.669 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)CC1 ZINC001034762204 710997549 /nfs/dbraw/zinc/99/75/49/710997549.db2.gz APBXMBOCJCVJMR-WKILWMFISA-N 2 0 348.495 1.064 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034776432 711053355 /nfs/dbraw/zinc/05/33/55/711053355.db2.gz UCUANNBTYGVQSZ-QBPKDAKJSA-N 2 0 345.491 1.896 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034794224 711109951 /nfs/dbraw/zinc/10/99/51/711109951.db2.gz BSFWOVLEWVFXBK-IYARVYRRSA-N 2 0 347.507 1.558 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(Cc3ccc(F)cn3)CC2)C1 ZINC001003968700 711144151 /nfs/dbraw/zinc/14/41/51/711144151.db2.gz SSRMOENFAUMOKV-AWEZNQCLSA-N 2 0 334.439 1.643 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC001003984519 711186530 /nfs/dbraw/zinc/18/65/30/711186530.db2.gz FOJJEVHOPMOSNZ-HOTGVXAUSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]C[C@H]3CCOC3)cc2)CC1 ZINC001034822986 711224478 /nfs/dbraw/zinc/22/44/78/711224478.db2.gz CPOUCVOCMTXFGA-GOSISDBHSA-N 2 0 345.487 1.771 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001034940247 711443432 /nfs/dbraw/zinc/44/34/32/711443432.db2.gz ANGYHODYECWOEJ-MSOLQXFVSA-N 2 0 343.475 1.207 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccns2)CC[N@@H+]1C ZINC001034940937 711444947 /nfs/dbraw/zinc/44/49/47/711444947.db2.gz HWFBWZMKGJRHHU-VNQPRFMTSA-N 2 0 336.505 1.954 20 0 EDADRP COc1cnc(F)c(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390439 711453973 /nfs/dbraw/zinc/45/39/73/711453973.db2.gz MNYKWJRVIXYWNE-CBZIJGRNSA-N 2 0 337.439 1.799 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390457 711454079 /nfs/dbraw/zinc/45/40/79/711454079.db2.gz MUPICEFTWJMLMA-RJZRQDKASA-N 2 0 346.397 1.998 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000922397541 711473150 /nfs/dbraw/zinc/47/31/50/711473150.db2.gz TUFLUTGFSPHFBN-INIZCTEOSA-N 2 0 346.475 1.663 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1 ZINC001004520754 711919878 /nfs/dbraw/zinc/91/98/78/711919878.db2.gz JAGSKCNEFTVVNF-QGZVFWFLSA-N 2 0 349.475 1.650 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cnon3)C[C@H]2CC1 ZINC000946645585 712135427 /nfs/dbraw/zinc/13/54/27/712135427.db2.gz WHINASWJVCYZNG-HLLBOEOZSA-N 2 0 347.463 1.224 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C)CC1 ZINC000558053842 306235448 /nfs/dbraw/zinc/23/54/48/306235448.db2.gz MPVRMKZXBPLQTQ-MJGOQNOKSA-N 2 0 344.503 1.403 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000126236762 282142608 /nfs/dbraw/zinc/14/26/08/282142608.db2.gz NTKQHRCZKWRVMX-CRAIPNDOSA-N 2 0 340.512 1.395 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CCC23CCOCC3)CC1 ZINC000558622863 306241070 /nfs/dbraw/zinc/24/10/70/306241070.db2.gz GAMSITKLDHSNFM-QGZVFWFLSA-N 2 0 330.476 1.882 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1ncc(C(C)(C)C)o1 ZINC000558750214 306246479 /nfs/dbraw/zinc/24/64/79/306246479.db2.gz WUVPJQJIVRMDLW-UHFFFAOYSA-N 2 0 338.496 1.857 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC([NH+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111016 539396512 /nfs/dbraw/zinc/39/65/12/539396512.db2.gz VLUPPWBYNPYPDC-QKLQHJQFSA-N 2 0 347.503 1.273 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000422769940 290793354 /nfs/dbraw/zinc/79/33/54/290793354.db2.gz VROPQYIDIXNBNH-GZBFAFLISA-N 2 0 325.478 1.633 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560747003 306278510 /nfs/dbraw/zinc/27/85/10/306278510.db2.gz JDUZTOFADZPRPO-DLBZAZTESA-N 2 0 337.533 1.899 20 0 EDADRP COC[C@@H]1CN(CC[C@H](C)[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000439298223 539589482 /nfs/dbraw/zinc/58/94/82/539589482.db2.gz VEUTZTJYOBBWTI-ADHGMGHFSA-N 2 0 344.496 1.236 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)c2ccccc2)CC1 ZINC000561155663 306283018 /nfs/dbraw/zinc/28/30/18/306283018.db2.gz INWAMVRMNMAHLJ-ROUUACIJSA-N 2 0 345.491 1.012 20 0 EDADRP [NH3+][C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000561159741 306283298 /nfs/dbraw/zinc/28/32/98/306283298.db2.gz ZAVZWHCDQPYWKA-HNNXBMFYSA-N 2 0 340.537 1.775 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333890041 539658461 /nfs/dbraw/zinc/65/84/61/539658461.db2.gz GSZDNOFUHYAGFG-HOTGVXAUSA-N 2 0 338.496 1.461 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000343018154 539777319 /nfs/dbraw/zinc/77/73/19/539777319.db2.gz VRHGIECXXRLNNV-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000343019223 539777942 /nfs/dbraw/zinc/77/79/42/539777942.db2.gz YXTQTIBWHDJBEA-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353240594 539932356 /nfs/dbraw/zinc/93/23/56/539932356.db2.gz UNEOITPTBKJSSO-OAHLLOKOSA-N 2 0 328.501 1.251 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353519350 539934192 /nfs/dbraw/zinc/93/41/92/539934192.db2.gz MZRCQRKUPWDCPG-UHFFFAOYSA-N 2 0 334.386 1.988 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562746175 306307521 /nfs/dbraw/zinc/30/75/21/306307521.db2.gz CNTMOJGYFSCYBL-CABCVRRESA-N 2 0 332.448 1.830 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417737313 282903697 /nfs/dbraw/zinc/90/36/97/282903697.db2.gz NOIDVWZHVVPXGL-KRWDZBQOSA-N 2 0 332.492 1.902 20 0 EDADRP C[N@H+](C[C@@H](O)CNC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984354 306314876 /nfs/dbraw/zinc/31/48/76/306314876.db2.gz JNTSHGCGAHURRO-ICSRJNTNSA-N 2 0 331.504 1.596 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489380609 540034989 /nfs/dbraw/zinc/03/49/89/540034989.db2.gz QFJVDWMGUNNTAA-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423775053 291050239 /nfs/dbraw/zinc/05/02/39/291050239.db2.gz ONBVNEIZGNPYEW-UONOGXRCSA-N 2 0 341.839 1.339 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000339495322 291068949 /nfs/dbraw/zinc/06/89/49/291068949.db2.gz WZEWVEHTPYXFTL-STQMWFEESA-N 2 0 338.496 1.011 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000563512104 306336222 /nfs/dbraw/zinc/33/62/22/306336222.db2.gz OTWPTHOJMHLCMI-UHFFFAOYSA-N 2 0 342.443 1.909 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)c1ccccc1 ZINC000078434720 138257374 /nfs/dbraw/zinc/25/73/74/138257374.db2.gz ANZRMIOWHSBXIO-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP C[C@H]1CC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000094133996 138295853 /nfs/dbraw/zinc/29/58/53/138295853.db2.gz NEHYYGKLSWCPEX-HOTGVXAUSA-N 2 0 327.513 1.922 20 0 EDADRP C[C@H]1[C@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000563591668 306340556 /nfs/dbraw/zinc/34/05/56/306340556.db2.gz YFOAYIIIZUFAGW-ATLSCFEFSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CC[NH+](C2CCCC2)C1 ZINC000563640671 306343610 /nfs/dbraw/zinc/34/36/10/306343610.db2.gz PQMVKLNQEBDSAX-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)COC1CC[NH2+]CC1 ZINC000563704930 306345600 /nfs/dbraw/zinc/34/56/00/306345600.db2.gz BTIKMHPDPUBEDO-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000107328028 283320307 /nfs/dbraw/zinc/32/03/07/283320307.db2.gz WJJKLFVGOKJNTA-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC000447851035 305287178 /nfs/dbraw/zinc/28/71/78/305287178.db2.gz XYRVUROOSQPCAY-MRXNPFEDSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000564224467 306357594 /nfs/dbraw/zinc/35/75/94/306357594.db2.gz VKTOQMSIBLSUKB-IYBDPMFKSA-N 2 0 335.496 1.543 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000564788336 306364809 /nfs/dbraw/zinc/36/48/09/306364809.db2.gz DLKNJAJOAKWMRO-GOSISDBHSA-N 2 0 330.432 1.800 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCO1 ZINC000333139130 283485830 /nfs/dbraw/zinc/48/58/30/283485830.db2.gz CTPSWYHJZDOFNA-QGZVFWFLSA-N 2 0 338.496 1.543 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000564938018 306370590 /nfs/dbraw/zinc/37/05/90/306370590.db2.gz NSUORMUHNVAADG-HUUCEWRRSA-N 2 0 340.512 1.835 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000565221741 306379269 /nfs/dbraw/zinc/37/92/69/306379269.db2.gz LNBHKKPAJCYFQD-UHFFFAOYSA-N 2 0 337.489 1.640 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000066223461 201157382 /nfs/dbraw/zinc/15/73/82/201157382.db2.gz SJJQKSIYANKTBP-QGZVFWFLSA-N 2 0 344.459 1.383 20 0 EDADRP CCc1ncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000414327969 304106766 /nfs/dbraw/zinc/10/67/66/304106766.db2.gz ZGSSIOYDKVLLPM-UHFFFAOYSA-N 2 0 340.475 1.736 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCCO[C@@H](C[NH3+])C1 ZINC000565707964 306389235 /nfs/dbraw/zinc/38/92/35/306389235.db2.gz IRXBIIBAPUGVSX-YCPHGPKFSA-N 2 0 333.432 1.065 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082275 201337568 /nfs/dbraw/zinc/33/75/68/201337568.db2.gz VDWTUMHJEIEHFB-QUCCMNQESA-N 2 0 331.504 1.895 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCCC2)cc1 ZINC000566019621 306396823 /nfs/dbraw/zinc/39/68/23/306396823.db2.gz NRXCMRTWWFZXTJ-SFHVURJKSA-N 2 0 333.476 1.367 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000414701697 304130072 /nfs/dbraw/zinc/13/00/72/304130072.db2.gz KOOVEBYSVMEATK-CABCVRRESA-N 2 0 346.475 1.724 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000414701699 304130016 /nfs/dbraw/zinc/13/00/16/304130016.db2.gz KOOVEBYSVMEATK-HUUCEWRRSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000414708410 304130818 /nfs/dbraw/zinc/13/08/18/304130818.db2.gz QHGVXHDRJYKFIL-ZIAGYGMSSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000414715928 304132107 /nfs/dbraw/zinc/13/21/07/304132107.db2.gz XWAHVYUEBWNQNJ-AWEZNQCLSA-N 2 0 332.448 1.493 20 0 EDADRP CC[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414715251 304132322 /nfs/dbraw/zinc/13/23/22/304132322.db2.gz YKAPUBXQAUJXTF-ZWKOTPCHSA-N 2 0 333.476 1.457 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000414721276 304132926 /nfs/dbraw/zinc/13/29/26/304132926.db2.gz GCBCVBILLPOGHZ-UHFFFAOYSA-N 2 0 330.432 1.171 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000414721147 304132839 /nfs/dbraw/zinc/13/28/39/304132839.db2.gz FWSGFGNIYOAHLL-CQSZACIVSA-N 2 0 344.459 1.732 20 0 EDADRP C[C@@H]1C[C@@H](C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722603 304132969 /nfs/dbraw/zinc/13/29/69/304132969.db2.gz MUSPXAZIYJRCCI-IXDOHACOSA-N 3 0 331.508 1.752 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000414726290 304133387 /nfs/dbraw/zinc/13/33/87/304133387.db2.gz YMBAXLVSQYRKSF-UHFFFAOYSA-N 2 0 344.459 1.431 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746111 304136403 /nfs/dbraw/zinc/13/64/03/304136403.db2.gz QEEHNVVLSJFWQB-KGLIPLIRSA-N 2 0 337.414 1.951 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000414757526 304137342 /nfs/dbraw/zinc/13/73/42/304137342.db2.gz XHNIWWMUMKEOOR-OAHLLOKOSA-N 2 0 331.464 1.702 20 0 EDADRP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)C(=O)OCC ZINC000414758627 304137347 /nfs/dbraw/zinc/13/73/47/304137347.db2.gz MVCFFTGARDGEMF-GJZGRUSLSA-N 2 0 327.469 1.237 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000162506551 296123737 /nfs/dbraw/zinc/12/37/37/296123737.db2.gz YHECSMCEDAXGIE-GOSISDBHSA-N 3 0 348.535 1.915 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000266649103 284197458 /nfs/dbraw/zinc/19/74/58/284197458.db2.gz FDXGCKHRLFYMIZ-OALUTQOASA-N 2 0 340.471 1.917 20 0 EDADRP [NH3+][C@H]1CCN(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000415070960 304157074 /nfs/dbraw/zinc/15/70/74/304157074.db2.gz RVHMIMYIJPAJCM-HNNXBMFYSA-N 2 0 334.489 1.843 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000415075473 304157867 /nfs/dbraw/zinc/15/78/67/304157867.db2.gz BNNRHNDCMNIWFF-HOTGVXAUSA-N 2 0 341.459 1.720 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000415096940 304159627 /nfs/dbraw/zinc/15/96/27/304159627.db2.gz CCNYOMMAKZRSRY-GJZGRUSLSA-N 2 0 339.505 1.602 20 0 EDADRP NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000415100180 304160138 /nfs/dbraw/zinc/16/01/38/304160138.db2.gz HQTCSZGNGMPPQG-DZJNRPSUSA-N 2 0 333.451 1.980 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000103311172 204074342 /nfs/dbraw/zinc/07/43/42/204074342.db2.gz SHDXHCWAYZLSQC-GOSISDBHSA-N 2 0 332.492 1.802 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(OC)ccc3OC)C2)CC1 ZINC000107371204 204235650 /nfs/dbraw/zinc/23/56/50/204235650.db2.gz OWQUVAULCMKCTH-QGZVFWFLSA-N 2 0 333.476 1.916 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146096 304164861 /nfs/dbraw/zinc/16/48/61/304164861.db2.gz GCBDSHBOJFPHBQ-JKSUJKDBSA-N 2 0 330.432 1.169 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C2)[nH+]1 ZINC000195516203 139018921 /nfs/dbraw/zinc/01/89/21/139018921.db2.gz BSMMIIFMBUBMHK-GJZGRUSLSA-N 2 0 347.463 1.747 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000415152824 304166231 /nfs/dbraw/zinc/16/62/31/304166231.db2.gz SOSAUYFKGCZQTR-UHFFFAOYSA-N 2 0 344.459 1.431 20 0 EDADRP CCC[NH+]1CCC(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000236793541 139031622 /nfs/dbraw/zinc/03/16/22/139031622.db2.gz OJTVGFGBHAEFFV-HXUWFJFHSA-N 2 0 331.504 1.870 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000236799119 139031720 /nfs/dbraw/zinc/03/17/20/139031720.db2.gz GRIIURDGEBYEJV-KRWDZBQOSA-N 2 0 334.464 1.235 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000236880158 139034117 /nfs/dbraw/zinc/03/41/17/139034117.db2.gz SHGAUGCOGQLXPG-UHFFFAOYSA-N 2 0 348.491 1.042 20 0 EDADRP C[NH2+]CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000237294502 139046852 /nfs/dbraw/zinc/04/68/52/139046852.db2.gz CIDHJCWNWRXTDG-UHFFFAOYSA-N 2 0 330.354 1.615 20 0 EDADRP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000126323406 205051568 /nfs/dbraw/zinc/05/15/68/205051568.db2.gz LKXIBUZGVXLWEH-QAPCUYQASA-N 2 0 336.480 1.119 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1)N1CC[NH+](C)CC1 ZINC000127385625 205098539 /nfs/dbraw/zinc/09/85/39/205098539.db2.gz ZAAUVWIWVAXOQP-HOTGVXAUSA-N 2 0 346.475 1.930 20 0 EDADRP C[C@@H](CNC(=O)C1(c2ccccc2)CC[NH2+]CC1)N1CC[NH+](C)CC1 ZINC000237526834 139053194 /nfs/dbraw/zinc/05/31/94/139053194.db2.gz CLXOZCFOWOPHPG-KRWDZBQOSA-N 2 0 344.503 1.060 20 0 EDADRP Cc1c(C(=O)NCCC[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237781880 139060163 /nfs/dbraw/zinc/06/01/63/139060163.db2.gz DGSAOGPHEKHPIQ-UHFFFAOYSA-N 2 0 334.468 1.117 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000237719146 139058521 /nfs/dbraw/zinc/05/85/21/139058521.db2.gz GAMRBOZVEFVHRF-GOSISDBHSA-N 2 0 330.476 1.361 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[NH2+]C3)CC2)c1 ZINC000237723087 139058692 /nfs/dbraw/zinc/05/86/92/139058692.db2.gz MOPKVVRFSLJFBB-KRWDZBQOSA-N 2 0 330.476 1.233 20 0 EDADRP [NH3+]C[C@H](C(=O)NCCN1CCc2sccc2C1)c1ccccc1 ZINC000237816791 139061145 /nfs/dbraw/zinc/06/11/45/139061145.db2.gz FCFOSNKOQKXGQW-INIZCTEOSA-N 2 0 329.469 1.965 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245585285 139080145 /nfs/dbraw/zinc/08/01/45/139080145.db2.gz JPQFZEYOVWWTPN-IAGOWNOFSA-N 2 0 336.480 1.945 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCC([NH3+])CC2)c1)C1CC1 ZINC000415263082 304180982 /nfs/dbraw/zinc/18/09/82/304180982.db2.gz HCOHEETYTZPMHA-UHFFFAOYSA-N 2 0 344.459 1.212 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000246015381 139092545 /nfs/dbraw/zinc/09/25/45/139092545.db2.gz UIZFIHMRVUJUMU-DJIMGWMZSA-N 2 0 333.480 1.953 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288748 139102634 /nfs/dbraw/zinc/10/26/34/139102634.db2.gz CEBVGICBLBZXHB-HZPDHXFCSA-N 2 0 342.553 1.940 20 0 EDADRP CC[N@@H+]1CC[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000246381270 139106225 /nfs/dbraw/zinc/10/62/25/139106225.db2.gz KBOORIFQXYAWRP-QFBILLFUSA-N 2 0 346.519 1.798 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415349520 304200338 /nfs/dbraw/zinc/20/03/38/304200338.db2.gz XRGCVMAZXKLUAN-HNNXBMFYSA-N 2 0 344.459 1.084 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)C1CC[NH2+]CC1 ZINC000568506239 306482986 /nfs/dbraw/zinc/48/29/86/306482986.db2.gz UNUYSEFBYRPKJC-HNNXBMFYSA-N 2 0 345.491 1.798 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000247476968 139149653 /nfs/dbraw/zinc/14/96/53/139149653.db2.gz IMPBWPFNJIKWCC-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000169105329 206548333 /nfs/dbraw/zinc/54/83/33/206548333.db2.gz YXKYAUNYMLKVGG-SJLPKXTDSA-N 2 0 331.460 1.174 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000248078815 139158212 /nfs/dbraw/zinc/15/82/12/139158212.db2.gz RMHSDMIICDOAOU-QZTJIDSGSA-N 2 0 348.491 1.651 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000248414405 139162738 /nfs/dbraw/zinc/16/27/38/139162738.db2.gz GYCDEAPJRMGNBB-ROUUACIJSA-N 2 0 332.492 1.951 20 0 EDADRP CC[N@H+](CCO)CCN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000249027276 139183180 /nfs/dbraw/zinc/18/31/80/139183180.db2.gz RUKRCUGSQGITLX-HSALFYBXSA-N 2 0 331.504 1.801 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000252977986 139205504 /nfs/dbraw/zinc/20/55/04/139205504.db2.gz XJKUATWEEDWRAA-ULQDDVLXSA-N 2 0 340.512 1.203 20 0 EDADRP COC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](COC)C3)COC2)C1 ZINC000252736565 139205257 /nfs/dbraw/zinc/20/52/57/139205257.db2.gz XDFXLHWTRXDCOJ-QZTJIDSGSA-N 2 0 340.508 1.720 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC[NH2+]C1 ZINC000261601947 139209809 /nfs/dbraw/zinc/20/98/09/139209809.db2.gz BOQLZHXCZCJUSD-WMZOPIPTSA-N 2 0 335.448 1.040 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH2+][C@@H](C)C2)c1 ZINC000415450989 304221770 /nfs/dbraw/zinc/22/17/70/304221770.db2.gz ZJERIDMPDDMERJ-AWEZNQCLSA-N 2 0 332.448 1.287 20 0 EDADRP COc1cccc([C@@H](CNC(=O)COC2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000261711847 139219626 /nfs/dbraw/zinc/21/96/26/139219626.db2.gz PTTPQBBVCGKUPD-QGZVFWFLSA-N 2 0 335.448 1.183 20 0 EDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000261754725 139223321 /nfs/dbraw/zinc/22/33/21/139223321.db2.gz PILJNDPNWUGXKY-HOCLYGCPSA-N 2 0 339.505 1.777 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)O1 ZINC000261803250 139227378 /nfs/dbraw/zinc/22/73/78/139227378.db2.gz OGISDUAHFFEFPS-MSOLQXFVSA-N 2 0 331.460 1.795 20 0 EDADRP Clc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-n2cncn2)c1 ZINC000261830325 139229822 /nfs/dbraw/zinc/22/98/22/139229822.db2.gz AKVVPHLFDZLJJR-MRXNPFEDSA-N 2 0 346.866 1.400 20 0 EDADRP CC(C)c1ccc(OCCNC(=O)CN2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000261836064 139230266 /nfs/dbraw/zinc/23/02/66/139230266.db2.gz QIBNHIDTZUHVGU-IBGZPJMESA-N 2 0 333.476 1.976 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261893889 139234666 /nfs/dbraw/zinc/23/46/66/139234666.db2.gz CRPWHRDHBBEJRB-QGZVFWFLSA-N 2 0 328.460 1.552 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2CC23CC[NH2+]CC3)Cc2ccccc2C1 ZINC000261982245 139241720 /nfs/dbraw/zinc/24/17/20/139241720.db2.gz WLUISNXQVHQSAJ-QGZVFWFLSA-N 2 0 327.472 1.592 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415489882 304224582 /nfs/dbraw/zinc/22/45/82/304224582.db2.gz BQQPIPLZQFWVBR-OAHLLOKOSA-N 2 0 334.464 1.363 20 0 EDADRP [NH3+]CC1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000262078632 139249146 /nfs/dbraw/zinc/24/91/46/139249146.db2.gz CHLCOFSQFGVUEI-UHFFFAOYSA-N 2 0 345.487 1.565 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414898860 250881428 /nfs/dbraw/zinc/88/14/28/250881428.db2.gz FESOZWBWOZITOK-OAHLLOKOSA-N 2 0 332.448 1.274 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000415441244 250940315 /nfs/dbraw/zinc/94/03/15/250940315.db2.gz FNFQGLZWAOCYHA-RDJZCZTQSA-N 2 0 346.475 1.711 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@](C)(C[NH3+])C3)CC2)c1 ZINC000262134897 139254030 /nfs/dbraw/zinc/25/40/30/139254030.db2.gz WUAFXJQDPCZSRV-HXUWFJFHSA-N 2 0 344.503 1.704 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000262141861 139254558 /nfs/dbraw/zinc/25/45/58/139254558.db2.gz PKMURTQGGXWNGK-KXBFYZLASA-N 2 0 349.475 1.912 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415993584 251045249 /nfs/dbraw/zinc/04/52/49/251045249.db2.gz UCHCFFHNPXOENS-UHFFFAOYSA-N 2 0 347.507 1.945 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416215201 251058189 /nfs/dbraw/zinc/05/81/89/251058189.db2.gz NGBOQOVPXHSOEU-AEFFLSMTSA-N 2 0 347.503 1.983 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000262279666 139266184 /nfs/dbraw/zinc/26/61/84/139266184.db2.gz KOWOEEHYHYVIIA-DLBZAZTESA-N 2 0 336.524 1.570 20 0 EDADRP COCC1(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000416874976 251114389 /nfs/dbraw/zinc/11/43/89/251114389.db2.gz ATGFWTXQNYREIN-UHFFFAOYSA-N 2 0 348.491 1.564 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417007193 251128736 /nfs/dbraw/zinc/12/87/36/251128736.db2.gz GZCREMCXXUINAD-BRWVUGGUSA-N 2 0 340.512 1.645 20 0 EDADRP COC[C@]1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000417010900 251130289 /nfs/dbraw/zinc/13/02/89/251130289.db2.gz QOMJXOXQCNPRCS-LJQANCHMSA-N 2 0 346.475 1.113 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C[C@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000262342508 139271706 /nfs/dbraw/zinc/27/17/06/139271706.db2.gz IAVSZWXORVHZMT-ROUUACIJSA-N 2 0 331.460 1.627 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417543658 251184996 /nfs/dbraw/zinc/18/49/96/251184996.db2.gz GBUWLSLMSGKYNP-UONOGXRCSA-N 2 0 326.485 1.255 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417573022 251192356 /nfs/dbraw/zinc/19/23/56/251192356.db2.gz WHPBOKSKGZBPLG-QZTJIDSGSA-N 2 0 348.491 1.877 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000417571835 251192594 /nfs/dbraw/zinc/19/25/94/251192594.db2.gz UXWQBCQMSOYQGQ-KRWDZBQOSA-N 2 0 332.448 1.200 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417586680 251198507 /nfs/dbraw/zinc/19/85/07/251198507.db2.gz CJPLDXVJZZAHTG-OAHLLOKOSA-N 2 0 334.464 1.650 20 0 EDADRP CN(C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1C[NH2+]C1 ZINC000417587129 251199310 /nfs/dbraw/zinc/19/93/10/251199310.db2.gz RVZAVXZPVOPZOO-ALOPSCKCSA-N 2 0 328.460 1.795 20 0 EDADRP CN(C)[C@H](CNC(=O)N1CCC[NH2+]CC1)c1c(F)cccc1F ZINC000417661988 251216724 /nfs/dbraw/zinc/21/67/24/251216724.db2.gz QYKNZQBRVGIJOG-CQSZACIVSA-N 2 0 326.391 1.572 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417622563 251208551 /nfs/dbraw/zinc/20/85/51/251208551.db2.gz HKVFBAFNECJZHN-KGLIPLIRSA-N 2 0 328.526 1.773 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@H](C)C1 ZINC000417667837 251221602 /nfs/dbraw/zinc/22/16/02/251221602.db2.gz HPEHEILUNDCSQY-QZWWFDLISA-N 2 0 340.512 1.502 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000417669850 251222789 /nfs/dbraw/zinc/22/27/89/251222789.db2.gz NCSNRHASSMSDET-VVLHAWIVSA-N 2 0 340.512 1.550 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000417681451 251226331 /nfs/dbraw/zinc/22/63/31/251226331.db2.gz JNWYYBUPXDGLKL-GOEBONIOSA-N 2 0 326.485 1.160 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417681450 251226737 /nfs/dbraw/zinc/22/67/37/251226737.db2.gz JNWYYBUPXDGLKL-GDBMZVCRSA-N 2 0 326.485 1.160 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000417723255 251242285 /nfs/dbraw/zinc/24/22/85/251242285.db2.gz ZWTVIJFIWGGYHE-IAGOWNOFSA-N 2 0 340.512 1.790 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000417731072 251246507 /nfs/dbraw/zinc/24/65/07/251246507.db2.gz FHIKUAVVVRIPKX-GOSISDBHSA-N 2 0 344.503 1.917 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417745351 251251902 /nfs/dbraw/zinc/25/19/02/251251902.db2.gz DXJIYGITBUAMJM-IXDOHACOSA-N 2 0 339.528 1.077 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000417742648 251253106 /nfs/dbraw/zinc/25/31/06/251253106.db2.gz WHXUDADDBCHMCR-QZTJIDSGSA-N 2 0 342.487 1.337 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+][C@H]2C)CC1 ZINC000417806704 251278624 /nfs/dbraw/zinc/27/86/24/251278624.db2.gz JEYOKRAVZAFXND-HOCLYGCPSA-N 2 0 326.485 1.316 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262503210 139282866 /nfs/dbraw/zinc/28/28/66/139282866.db2.gz AOEWPFCZJAWEDR-HUUCEWRRSA-N 2 0 334.464 1.235 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000262503926 139283029 /nfs/dbraw/zinc/28/30/29/139283029.db2.gz AXWMOBXQTAUOGR-WFASDCNBSA-N 2 0 329.366 1.904 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C[N@@H+]1C1CC1 ZINC000417854363 251299412 /nfs/dbraw/zinc/29/94/12/251299412.db2.gz JPFQHXZSHADCSD-GDBMZVCRSA-N 2 0 331.464 1.486 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000417858333 251300727 /nfs/dbraw/zinc/30/07/27/251300727.db2.gz PKKMZZZVKQCACU-RDJZCZTQSA-N 2 0 330.476 1.825 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418383549 251363864 /nfs/dbraw/zinc/36/38/64/251363864.db2.gz JHONBGHZDGPBPZ-ULQDDVLXSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H](NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418722083 251396479 /nfs/dbraw/zinc/39/64/79/251396479.db2.gz LCYYITSPQSUGJW-DLBZAZTESA-N 2 0 347.507 1.181 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000262655694 139293583 /nfs/dbraw/zinc/29/35/83/139293583.db2.gz CRANGMXIXSBPHH-FBVQUNGASA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NCC(C)(C)[NH3+])CC1 ZINC000420066931 251583600 /nfs/dbraw/zinc/58/36/00/251583600.db2.gz ZWZIFGZQORDGMI-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262671717 139295167 /nfs/dbraw/zinc/29/51/67/139295167.db2.gz ORNYUMAKLBTWAP-BDXSIMOUSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC[C@H](C)[NH3+])CC1 ZINC000262713675 139298269 /nfs/dbraw/zinc/29/82/69/139298269.db2.gz DCMBOFYOVWSNRY-INIZCTEOSA-N 2 0 332.492 1.568 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262788592 139303584 /nfs/dbraw/zinc/30/35/84/139303584.db2.gz NZAYFTFOGLRETA-QGZVFWFLSA-N 2 0 345.491 1.756 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262859147 139308600 /nfs/dbraw/zinc/30/86/00/139308600.db2.gz LAOPNMSFWZLTMB-KBPBESRZSA-N 2 0 325.478 1.440 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878328 252007846 /nfs/dbraw/zinc/00/78/46/252007846.db2.gz IZKPRUOHNBDTPP-CEXWTWQISA-N 3 0 343.519 1.844 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCO[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000422876569 252008756 /nfs/dbraw/zinc/00/87/56/252008756.db2.gz QKZLXLBPMXWKKC-HUUCEWRRSA-N 2 0 328.453 1.093 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)CO[C@H]2CCOC2)CC[NH2+]CC1 ZINC000422860017 252002568 /nfs/dbraw/zinc/00/25/68/252002568.db2.gz HUTFNXGAPYRNPY-KKUMJFAQSA-N 2 0 328.453 1.091 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059227 252030363 /nfs/dbraw/zinc/03/03/63/252030363.db2.gz FIVCEKYXDCDAEN-LSDHHAIUSA-N 2 0 336.480 1.609 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423071254 252033127 /nfs/dbraw/zinc/03/31/27/252033127.db2.gz DYVPWNAQXLOUIS-YOEHRIQHSA-N 2 0 340.489 1.584 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H](OC)C(F)(F)F)CC[NH2+]CC1 ZINC000423069022 252034045 /nfs/dbraw/zinc/03/40/45/252034045.db2.gz LGHQMGDPSICKNI-RYUDHWBXSA-N 2 0 340.386 1.865 20 0 EDADRP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000423094110 252036231 /nfs/dbraw/zinc/03/62/31/252036231.db2.gz JKJVNFVTDSLSKI-QWHCGFSZSA-N 2 0 329.441 1.034 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)C(C)C ZINC000423414182 252053805 /nfs/dbraw/zinc/05/38/05/252053805.db2.gz MDHFMOKPHGUOPB-HOTGVXAUSA-N 2 0 340.512 1.149 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000423551395 252062335 /nfs/dbraw/zinc/06/23/35/252062335.db2.gz BJGFYOMFCOMGNF-OAHLLOKOSA-N 2 0 332.448 1.287 20 0 EDADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423776482 252069077 /nfs/dbraw/zinc/06/90/77/252069077.db2.gz QOZNVFDTIMDVSZ-QGZVFWFLSA-N 2 0 344.459 1.132 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000422907654 252018020 /nfs/dbraw/zinc/01/80/20/252018020.db2.gz XJRYZJMXONZFRL-QXAKKESOSA-N 2 0 349.544 1.742 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422907135 252018103 /nfs/dbraw/zinc/01/81/03/252018103.db2.gz BDNUAEVZMNXJTG-INIZCTEOSA-N 3 0 332.492 1.729 20 0 EDADRP COCCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424021502 252116416 /nfs/dbraw/zinc/11/64/16/252116416.db2.gz QYXWPGUKCYWKDR-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423794192 252076862 /nfs/dbraw/zinc/07/68/62/252076862.db2.gz JJQVAMLQBBFVAL-GOSISDBHSA-N 2 0 325.497 1.855 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423792561 252077691 /nfs/dbraw/zinc/07/76/91/252077691.db2.gz HZIDZEGFRFDWQL-KRWDZBQOSA-N 2 0 325.497 1.711 20 0 EDADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000424141364 252140337 /nfs/dbraw/zinc/14/03/37/252140337.db2.gz XDOFVPBOPKPVOR-JKSUJKDBSA-N 2 0 330.432 1.787 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424139433 252140618 /nfs/dbraw/zinc/14/06/18/252140618.db2.gz AKYZLLPCTUSHSF-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP Cn1cc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424170606 252152725 /nfs/dbraw/zinc/15/27/25/252152725.db2.gz KHRIUVDSPSNMLN-HOTGVXAUSA-N 2 0 345.491 1.349 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000424313554 252196638 /nfs/dbraw/zinc/19/66/38/252196638.db2.gz JIAAVUOLWIGQLL-CZUORRHYSA-N 2 0 333.432 1.425 20 0 EDADRP Cc1c(-c2nc(C3([NH3+])CCCCC3)no2)nnn1C1CC[NH2+]CC1 ZINC000424342718 252198453 /nfs/dbraw/zinc/19/84/53/252198453.db2.gz ZEVDSTFNXSNSFC-UHFFFAOYSA-N 2 0 331.424 1.679 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc(N3CCOCC3)s1)CC[NH2+]CC2 ZINC000424389121 252206940 /nfs/dbraw/zinc/20/69/40/252206940.db2.gz ZYXLOIIOUTZVLB-AWEZNQCLSA-N 2 0 336.505 1.944 20 0 EDADRP C[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)CN1CC[NH+](C)CC1 ZINC000425901525 252312915 /nfs/dbraw/zinc/31/29/15/252312915.db2.gz PWLXXKVFWURESC-OAHLLOKOSA-N 3 0 335.496 1.115 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000415620574 304240805 /nfs/dbraw/zinc/24/08/05/304240805.db2.gz VDBXGXBXALXLAV-YOEHRIQHSA-N 2 0 346.475 1.581 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000349929655 285055386 /nfs/dbraw/zinc/05/53/86/285055386.db2.gz CHTOEBFRIMSTEI-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569842944 306522972 /nfs/dbraw/zinc/52/29/72/306522972.db2.gz FAPNJWPUXANIME-GJZGRUSLSA-N 2 0 336.484 1.270 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)C1 ZINC000263272766 139332444 /nfs/dbraw/zinc/33/24/44/139332444.db2.gz XJSPKURRAYUWBX-HOCLYGCPSA-N 2 0 340.512 1.103 20 0 EDADRP CC[N@H+](CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000112286327 220285862 /nfs/dbraw/zinc/28/58/62/220285862.db2.gz GAHOBPQIFABOKS-UHFFFAOYSA-N 2 0 331.464 1.048 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000112464681 220332606 /nfs/dbraw/zinc/33/26/06/220332606.db2.gz AMSOCZIHSQUWKK-UHFFFAOYSA-N 2 0 349.479 1.654 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000430593673 254513673 /nfs/dbraw/zinc/51/36/73/254513673.db2.gz FFVHQTLYHKDLHU-MRXNPFEDSA-N 2 0 347.459 1.264 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646273 255015402 /nfs/dbraw/zinc/01/54/02/255015402.db2.gz ULJJPEZWXWQQJT-IYBDPMFKSA-N 2 0 328.501 1.232 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418584265 285245352 /nfs/dbraw/zinc/24/53/52/285245352.db2.gz ODZVKKMWGHGZFO-IXDOHACOSA-N 3 0 339.528 1.314 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494655633 255256308 /nfs/dbraw/zinc/25/63/08/255256308.db2.gz RIVNTHDNQFHVOV-KZNAEPCWSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494673653 255257293 /nfs/dbraw/zinc/25/72/93/255257293.db2.gz RLVWBMZRWWOYCP-MRXNPFEDSA-N 2 0 348.491 1.903 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496072184 255349153 /nfs/dbraw/zinc/34/91/53/255349153.db2.gz QXHHCCIROCHYLJ-SFHVURJKSA-N 2 0 343.512 1.974 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C ZINC000496495285 255399320 /nfs/dbraw/zinc/39/93/20/255399320.db2.gz IORYGYVNEKGQIY-JKSUJKDBSA-N 2 0 342.528 1.905 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1COC(=O)N1CCCCC1 ZINC000496236471 255368424 /nfs/dbraw/zinc/36/84/24/255368424.db2.gz WIWJIYKTFOOWDM-SJORKVTESA-N 2 0 341.496 1.776 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000341059571 285278464 /nfs/dbraw/zinc/27/84/64/285278464.db2.gz XEXMLYBXSHODGR-IRXDYDNUSA-N 3 0 341.544 1.384 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276799 285278746 /nfs/dbraw/zinc/27/87/46/285278746.db2.gz XGVYVUKRCMMPJL-CABCVRRESA-N 2 0 337.468 1.793 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417756148 285318611 /nfs/dbraw/zinc/31/86/11/285318611.db2.gz RWUDOMBWFBZPRO-RDJZCZTQSA-N 2 0 339.528 1.077 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000415929437 304285840 /nfs/dbraw/zinc/28/58/40/304285840.db2.gz HCHUZUICBFNESX-QGZVFWFLSA-N 2 0 334.464 1.764 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000167144451 533645433 /nfs/dbraw/zinc/64/54/33/533645433.db2.gz IJVSIOAXXQZMJA-KBPBESRZSA-N 2 0 325.478 1.922 20 0 EDADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269235391 139899370 /nfs/dbraw/zinc/89/93/70/139899370.db2.gz GLKNUFQIIWIAEU-ZWKOTPCHSA-N 2 0 331.460 1.488 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000271171097 140250700 /nfs/dbraw/zinc/25/07/00/140250700.db2.gz XLBRKBFAKBOVCY-APWZRJJASA-N 2 0 347.503 1.936 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416302443 304306695 /nfs/dbraw/zinc/30/66/95/304306695.db2.gz GCWJHLQCKLDNDR-NUJGCVRESA-N 2 0 333.476 1.593 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+]3CCC[C@H]3C2)C1 ZINC000331638131 141060441 /nfs/dbraw/zinc/06/04/41/141060441.db2.gz SONIJQOHRVCQTQ-CABCVRRESA-N 2 0 337.468 1.113 20 0 EDADRP Cc1nccn1C[C@@H](C)CNC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000332938067 141245610 /nfs/dbraw/zinc/24/56/10/141245610.db2.gz XUSLADQCFHBYBO-DOTOQJQBSA-N 2 0 349.479 1.334 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)C2)C1 ZINC000333332330 141300815 /nfs/dbraw/zinc/30/08/15/141300815.db2.gz OLQSUFVDMALVAW-SFHVURJKSA-N 2 0 330.432 1.728 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000333471219 141322632 /nfs/dbraw/zinc/32/26/32/141322632.db2.gz ASXPRBMMAVBGKX-ZBFHGGJFSA-N 2 0 329.510 1.312 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333719706 141365198 /nfs/dbraw/zinc/36/51/98/141365198.db2.gz UJEXARBZXBKBCO-HNNXBMFYSA-N 2 0 336.480 1.191 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000339937622 142205490 /nfs/dbraw/zinc/20/54/90/142205490.db2.gz SDOBKPUSABBRAV-UHFFFAOYSA-N 2 0 341.459 1.434 20 0 EDADRP COC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]CC1 ZINC000246735023 292085599 /nfs/dbraw/zinc/08/55/99/292085599.db2.gz YPICGSHEVXLCOC-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000345782541 143132916 /nfs/dbraw/zinc/13/29/16/143132916.db2.gz YZSNIUGENUQWKW-UONOGXRCSA-N 2 0 341.402 1.931 20 0 EDADRP COCC[N@@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000346203992 143178695 /nfs/dbraw/zinc/17/86/95/143178695.db2.gz JWPOIIJQAWXGAJ-OAHLLOKOSA-N 2 0 329.448 1.728 20 0 EDADRP CC(C)[C@@H]1OCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346491112 143210412 /nfs/dbraw/zinc/21/04/12/143210412.db2.gz OXAZEQKXBYJOBL-NJAFHUGGSA-N 2 0 337.508 1.674 20 0 EDADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346616153 143222524 /nfs/dbraw/zinc/22/25/24/143222524.db2.gz WJXJWNPDPLTGRW-IBGZPJMESA-N 2 0 344.434 1.999 20 0 EDADRP CNC(=O)[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876841 143255012 /nfs/dbraw/zinc/25/50/12/143255012.db2.gz MLGKUFJBOOYWMS-BRWVUGGUSA-N 2 0 333.480 1.056 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000346954825 143265751 /nfs/dbraw/zinc/26/57/51/143265751.db2.gz BRLGVUWLZYUCHE-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000346997237 143269527 /nfs/dbraw/zinc/26/95/27/143269527.db2.gz WBZCNHOANJHKSP-ZDUSSCGKSA-N 2 0 326.485 1.316 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C1 ZINC000347479895 143326956 /nfs/dbraw/zinc/32/69/56/143326956.db2.gz NILJTFFEXMNHAN-LDBYLJPUSA-N 2 0 338.496 1.362 20 0 EDADRP Cn1cncc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348907538 143465859 /nfs/dbraw/zinc/46/58/59/143465859.db2.gz XDKIITVNEHDEED-UHFFFAOYSA-N 2 0 333.480 1.234 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000369770918 155171163 /nfs/dbraw/zinc/17/11/63/155171163.db2.gz RZLUUHBCFOJYHY-SFHVURJKSA-N 2 0 336.524 1.348 20 0 EDADRP Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)C2)nc(C)n1 ZINC000369775171 155171288 /nfs/dbraw/zinc/17/12/88/155171288.db2.gz WZBBVDKTGPNDPA-JKSUJKDBSA-N 2 0 346.479 1.408 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000416820108 304349718 /nfs/dbraw/zinc/34/97/18/304349718.db2.gz SXOUMYHCUKWQMD-KRWDZBQOSA-N 2 0 334.464 1.870 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000353434371 286060549 /nfs/dbraw/zinc/06/05/49/286060549.db2.gz DGWKGQLZQMQSLJ-PMPSAXMXSA-N 2 0 328.501 1.373 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000416856043 304352092 /nfs/dbraw/zinc/35/20/92/304352092.db2.gz QRDUAUPGTLSVQF-FUHWJXTLSA-N 2 0 346.475 1.883 20 0 EDADRP CCCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000416859431 304352522 /nfs/dbraw/zinc/35/25/22/304352522.db2.gz ZXUWLNRWUSTFKU-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)[NH+](C)C)cc1 ZINC000417309657 292200016 /nfs/dbraw/zinc/20/00/16/292200016.db2.gz JCBKABJSHTXJDG-CABCVRRESA-N 2 0 340.418 1.894 20 0 EDADRP CC[C@@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353336684 149371033 /nfs/dbraw/zinc/37/10/33/149371033.db2.gz NJRHHERNNVENNM-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)CC(C)C ZINC000416961102 304355563 /nfs/dbraw/zinc/35/55/63/304355563.db2.gz RQVLZEXSOZHEBX-HZPDHXFCSA-N 2 0 328.501 1.421 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416962517 304355903 /nfs/dbraw/zinc/35/59/03/304355903.db2.gz AKRUKCRWGRITKA-RHSMWYFYSA-N 2 0 334.464 1.424 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416964746 304356477 /nfs/dbraw/zinc/35/64/77/304356477.db2.gz CSHRYMGXPQVAJQ-BZUAXINKSA-N 2 0 348.491 1.703 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416971984 304357828 /nfs/dbraw/zinc/35/78/28/304357828.db2.gz FHFJMQZUTNRMPB-PBHICJAKSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416971986 304357854 /nfs/dbraw/zinc/35/78/54/304357854.db2.gz FHFJMQZUTNRMPB-WMLDXEAASA-N 2 0 334.464 1.567 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000416978305 304359610 /nfs/dbraw/zinc/35/96/10/304359610.db2.gz FDNLMZBLPKBCQA-QGZVFWFLSA-N 2 0 332.448 1.152 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416978820 304360200 /nfs/dbraw/zinc/36/02/00/304360200.db2.gz RUAJIXKRTRBGLW-UHFFFAOYSA-N 2 0 333.480 1.863 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000354866703 150002394 /nfs/dbraw/zinc/00/23/94/150002394.db2.gz XCURPUGLEMGXJD-MSOLQXFVSA-N 2 0 333.476 1.642 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CCN(C(C)C)C2=O)CC1 ZINC000355336634 150222368 /nfs/dbraw/zinc/22/23/68/150222368.db2.gz PYNNZZOTDMYMTH-QGZVFWFLSA-N 2 0 325.497 1.819 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417030886 304362796 /nfs/dbraw/zinc/36/27/96/304362796.db2.gz PTIDPFAREPMEAV-SFHVURJKSA-N 2 0 345.491 1.028 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417034007 304363719 /nfs/dbraw/zinc/36/37/19/304363719.db2.gz RPFYFPZKOKPCMR-RTBURBONSA-N 2 0 342.487 1.828 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000357407679 151022821 /nfs/dbraw/zinc/02/28/21/151022821.db2.gz QKYONRCYRZPHOK-DOTOQJQBSA-N 2 0 325.497 1.865 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000417065326 304368656 /nfs/dbraw/zinc/36/86/56/304368656.db2.gz HDTXTZZCODXWFN-KRWDZBQOSA-N 2 0 330.476 1.684 20 0 EDADRP COCC1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC[NH2+]CC1 ZINC000333629900 292239869 /nfs/dbraw/zinc/23/98/69/292239869.db2.gz GKMPCWUIZHXCAD-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1)C1CC1 ZINC000357734212 151130509 /nfs/dbraw/zinc/13/05/09/151130509.db2.gz VVOIYYHIZFKSST-JKSUJKDBSA-N 2 0 335.492 1.430 20 0 EDADRP COCC1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC[NH2+]CC1 ZINC000333850357 292239543 /nfs/dbraw/zinc/23/95/43/292239543.db2.gz PXQUXZUKVBFSLK-JKSUJKDBSA-N 2 0 338.496 1.128 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094983 151268284 /nfs/dbraw/zinc/26/82/84/151268284.db2.gz LMTVYJNPZGGMOM-FUHWJXTLSA-N 2 0 349.523 1.058 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358135939 151284810 /nfs/dbraw/zinc/28/48/10/151284810.db2.gz KWHIWFRPXROGNZ-MRXNPFEDSA-N 2 0 342.528 1.904 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358142920 151286772 /nfs/dbraw/zinc/28/67/72/151286772.db2.gz RWKRXFCJIPOYER-HNNXBMFYSA-N 2 0 349.479 1.651 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNCc2ccc(OCc3ccncc3)cc2)C1 ZINC000358146451 151287386 /nfs/dbraw/zinc/28/73/86/151287386.db2.gz XBEXIINBLDOKOL-LJQANCHMSA-N 2 0 327.428 1.817 20 0 EDADRP CCc1nnsc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000358883356 151531176 /nfs/dbraw/zinc/53/11/76/151531176.db2.gz HBMOLJOSWIMBFE-UHFFFAOYSA-N 2 0 327.498 1.446 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417116590 304374084 /nfs/dbraw/zinc/37/40/84/304374084.db2.gz PPIUFDSRCUIGKA-AWEZNQCLSA-N 2 0 328.526 1.775 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360412838 152028139 /nfs/dbraw/zinc/02/81/39/152028139.db2.gz IPWUICMZKGSWRP-KRWDZBQOSA-N 2 0 342.553 1.987 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)Cc1ccc(F)cc1 ZINC000360437993 152043256 /nfs/dbraw/zinc/04/32/56/152043256.db2.gz UVJFXUOEVCXVCR-WMZOPIPTSA-N 2 0 348.466 1.993 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC([NH+]3CCCC3)CC2)CCSC1 ZINC000360743219 152180516 /nfs/dbraw/zinc/18/05/16/152180516.db2.gz CPUOJPPEDWUULG-QGZVFWFLSA-N 2 0 340.537 1.694 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)NCC(F)F)CC1 ZINC000360774281 152199042 /nfs/dbraw/zinc/19/90/42/152199042.db2.gz XQTCGUXVCKOPBG-UHFFFAOYSA-N 2 0 340.418 1.299 20 0 EDADRP Cc1nc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cs1 ZINC000361003087 152276004 /nfs/dbraw/zinc/27/60/04/152276004.db2.gz NAGPPQIQTKALNP-CQSZACIVSA-N 2 0 326.510 1.492 20 0 EDADRP CN(C)c1nccc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000361046013 152288244 /nfs/dbraw/zinc/28/82/44/152288244.db2.gz ZHEQDCYPHXHDBQ-LJQANCHMSA-N 2 0 341.459 1.269 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)NCCNc2cc[nH+]cc2)ccc1F ZINC000361146157 152319458 /nfs/dbraw/zinc/31/94/58/152319458.db2.gz AAZGMSCINKUYMH-UHFFFAOYSA-N 2 0 345.422 1.616 20 0 EDADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361183236 152329294 /nfs/dbraw/zinc/32/92/94/152329294.db2.gz QMWXFRUJFZQHCF-YOEHRIQHSA-N 2 0 331.460 1.860 20 0 EDADRP COCC1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CC[NH2+]CC1 ZINC000417157376 304378631 /nfs/dbraw/zinc/37/86/31/304378631.db2.gz NFESPYAIBDTTLO-UHFFFAOYSA-N 2 0 338.496 1.176 20 0 EDADRP CCn1ccnc1CN(C(=O)C[N@H+](C)C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370165295 155358885 /nfs/dbraw/zinc/35/88/85/155358885.db2.gz VCDCRMIXVSAPCG-MRXNPFEDSA-N 2 0 347.507 1.714 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417178415 304381055 /nfs/dbraw/zinc/38/10/55/304381055.db2.gz DPFACIKYLOZMDU-KGLIPLIRSA-N 2 0 328.407 1.441 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000363558062 153000768 /nfs/dbraw/zinc/00/07/68/153000768.db2.gz ORAAMDWQNYIUDH-OWSLCNJRSA-N 2 0 334.508 1.844 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H]1c1ccc(F)cc1 ZINC000363704418 153034568 /nfs/dbraw/zinc/03/45/68/153034568.db2.gz ULESSGKUXDQIDT-IASZTOCISA-N 2 0 331.435 2.000 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCOCC1(C)C ZINC000363784275 153055752 /nfs/dbraw/zinc/05/57/52/153055752.db2.gz AVDCCAWMUNUUCY-SQNIBIBYSA-N 2 0 339.524 1.576 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004171 153120400 /nfs/dbraw/zinc/12/04/00/153120400.db2.gz RZDPZWPCILLWCQ-FRQCXROJSA-N 2 0 337.508 1.948 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364122846 153150697 /nfs/dbraw/zinc/15/06/97/153150697.db2.gz NTHLIPMZBWDSBE-CYJAXWMASA-N 2 0 337.508 1.852 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000364558012 153269951 /nfs/dbraw/zinc/26/99/51/153269951.db2.gz AUEGLNDGXMCUOP-SJORKVTESA-N 2 0 329.400 1.622 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[NH+]1CCCC1 ZINC000364563452 153272881 /nfs/dbraw/zinc/27/28/81/153272881.db2.gz SSGOFRMXSOUFAQ-ZWOKBUDYSA-N 2 0 343.471 1.948 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000574299593 306647949 /nfs/dbraw/zinc/64/79/49/306647949.db2.gz VYVBBVJEESNCSZ-INIZCTEOSA-N 2 0 338.496 1.130 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C(C)(C)CN2CCn3ccnc3C2)C1 ZINC000367894765 154316385 /nfs/dbraw/zinc/31/63/85/154316385.db2.gz NZUWVTKIHBKYDK-INIZCTEOSA-N 2 0 347.507 1.573 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000367906711 154320802 /nfs/dbraw/zinc/32/08/02/154320802.db2.gz YXPGABKXORLUSG-OQIJWPOYSA-N 2 0 333.476 1.637 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2cc1C ZINC000367993514 154359013 /nfs/dbraw/zinc/35/90/13/154359013.db2.gz LZAQOCHSFAUWRW-GJZGRUSLSA-N 2 0 330.432 1.211 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417357128 304394464 /nfs/dbraw/zinc/39/44/64/304394464.db2.gz GEGLYRAFNKKKHP-QGZVFWFLSA-N 2 0 346.475 1.663 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000417358321 304394886 /nfs/dbraw/zinc/39/48/86/304394886.db2.gz FIYCHQFAVVYERQ-CZUORRHYSA-N 2 0 336.505 1.997 20 0 EDADRP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000369396089 155012901 /nfs/dbraw/zinc/01/29/01/155012901.db2.gz UAPIHVQIFCVKMR-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP COC(=O)[C@H]1C[C@@H](OC)CCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000369501685 155061722 /nfs/dbraw/zinc/06/17/22/155061722.db2.gz UDBKYKQALSATLK-DLBZAZTESA-N 2 0 341.496 1.055 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCn2ccnc2C1 ZINC000369566452 155088696 /nfs/dbraw/zinc/08/86/96/155088696.db2.gz CPOPOVQXTOTLDU-OAGGEKHMSA-N 2 0 333.480 1.865 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000574868946 306658479 /nfs/dbraw/zinc/65/84/79/306658479.db2.gz FQVGQELXQPLNSZ-UHFFFAOYSA-N 2 0 332.448 1.864 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000371650717 156046764 /nfs/dbraw/zinc/04/67/64/156046764.db2.gz TZDOIVSUMMGOGJ-NUJGCVRESA-N 2 0 347.507 1.931 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000371908123 156162550 /nfs/dbraw/zinc/16/25/50/156162550.db2.gz ZNUCUKKQLIAMHZ-SZMVWBNQSA-N 2 0 337.508 1.412 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417442839 292348438 /nfs/dbraw/zinc/34/84/38/292348438.db2.gz WHJWDMSWJRYPIB-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373899272 157055261 /nfs/dbraw/zinc/05/52/61/157055261.db2.gz JQGFNBCXZGXROY-KRWDZBQOSA-N 2 0 343.537 1.799 20 0 EDADRP C[C@@H]1COCCN1CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374083679 157136433 /nfs/dbraw/zinc/13/64/33/157136433.db2.gz MVAAAOLVCDMLCX-QGZVFWFLSA-N 2 0 332.492 1.951 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000374417193 157283894 /nfs/dbraw/zinc/28/38/94/157283894.db2.gz BSYWVPJHYWMSIO-CABCVRRESA-N 2 0 325.522 1.995 20 0 EDADRP COCC[C@]1(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]C1 ZINC000376720291 157822127 /nfs/dbraw/zinc/82/21/27/157822127.db2.gz NGQNXFZFAGTOSA-JFIYKMOQSA-N 2 0 325.497 1.487 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000377996752 158051779 /nfs/dbraw/zinc/05/17/79/158051779.db2.gz JUTVDKLLRVDZQP-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000378205630 158108533 /nfs/dbraw/zinc/10/85/33/158108533.db2.gz NFOVLHRPUWPYKD-UHFFFAOYSA-N 2 0 331.460 1.054 20 0 EDADRP [NH3+]Cc1ccc(C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000378212963 158111824 /nfs/dbraw/zinc/11/18/24/158111824.db2.gz XUISDXYZSWREIX-UHFFFAOYSA-N 2 0 331.460 1.720 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000417905447 304429779 /nfs/dbraw/zinc/42/97/79/304429779.db2.gz CIESLMDPXRYQCU-ZACQAIPSSA-N 2 0 340.512 1.379 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000352207794 162050267 /nfs/dbraw/zinc/05/02/67/162050267.db2.gz DFDKGMGCNZJBCT-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000352215026 162055196 /nfs/dbraw/zinc/05/51/96/162055196.db2.gz YXKJAUMUKYTLAG-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000352246067 162071400 /nfs/dbraw/zinc/07/14/00/162071400.db2.gz GHGFAZONRWNJMZ-UHFFFAOYSA-N 2 0 347.550 1.783 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418028229 304448596 /nfs/dbraw/zinc/44/85/96/304448596.db2.gz YCDRLBIDJMWQHF-QGZVFWFLSA-N 2 0 340.512 1.376 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000423175280 287025683 /nfs/dbraw/zinc/02/56/83/287025683.db2.gz DKNONSSORMJEHR-CQSZACIVSA-N 2 0 340.493 1.004 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377739313 287085565 /nfs/dbraw/zinc/08/55/65/287085565.db2.gz AHCVWDKJHDNSTD-FHLIZLRMSA-N 2 0 337.508 1.173 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@@H]1C ZINC000418187134 304461712 /nfs/dbraw/zinc/46/17/12/304461712.db2.gz CXSYMPKGTKSTAO-HUUCEWRRSA-N 2 0 349.479 1.304 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074133897 287268318 /nfs/dbraw/zinc/26/83/18/287268318.db2.gz DJINMFOPYOYJEI-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418338874 304483011 /nfs/dbraw/zinc/48/30/11/304483011.db2.gz DNAIGCOMUGRVAR-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000124235674 287396154 /nfs/dbraw/zinc/39/61/54/287396154.db2.gz NNXGFKPRYWFCJH-QGZVFWFLSA-N 2 0 333.480 1.346 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420354706 287633830 /nfs/dbraw/zinc/63/38/30/287633830.db2.gz BIHRFRBFTKDLDA-RRIFGTCXSA-N 2 0 332.492 1.382 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+][C@H]3C)cc2)CC1 ZINC000193589951 272996487 /nfs/dbraw/zinc/99/64/87/272996487.db2.gz NESKADNBYPQBAH-YJBOKZPZSA-N 2 0 330.476 1.699 20 0 EDADRP Cc1cnccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000274461027 268143381 /nfs/dbraw/zinc/14/33/81/268143381.db2.gz GOTDMJOMWWVWCV-UHFFFAOYSA-N 2 0 339.443 1.727 20 0 EDADRP CCCCC[N@H+](CCO)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274649903 268175961 /nfs/dbraw/zinc/17/59/61/268175961.db2.gz MZNSGIFAAWXDFU-GOSISDBHSA-N 2 0 335.492 1.890 20 0 EDADRP COC(=O)CNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274814371 268212245 /nfs/dbraw/zinc/21/22/45/268212245.db2.gz IMLTUFVIEKGJGI-DOTOQJQBSA-N 2 0 347.459 1.166 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000274832905 268218239 /nfs/dbraw/zinc/21/82/39/268218239.db2.gz UTSUMKHHSLQLFS-UHFFFAOYSA-N 2 0 345.487 1.921 20 0 EDADRP COCc1cccc(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000275271231 268311729 /nfs/dbraw/zinc/31/17/29/268311729.db2.gz JJOWGJAQZDDXSM-UHFFFAOYSA-N 2 0 347.503 1.860 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000273224608 273033831 /nfs/dbraw/zinc/03/38/31/273033831.db2.gz NRFUUTIIRWKABL-HNNXBMFYSA-N 2 0 347.507 1.616 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(NC(=O)C2CC2)c1 ZINC000104532847 272919666 /nfs/dbraw/zinc/91/96/66/272919666.db2.gz YPPVMKVWUQCMEY-UHFFFAOYSA-N 2 0 346.475 1.601 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000276283914 273157296 /nfs/dbraw/zinc/15/72/96/273157296.db2.gz QKCCWUPOAXFHHA-UHFFFAOYSA-N 2 0 348.491 1.529 20 0 EDADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000277114034 273180021 /nfs/dbraw/zinc/18/00/21/273180021.db2.gz XYDWOHCBZSAINY-GOSISDBHSA-N 2 0 334.460 1.538 20 0 EDADRP c1c(C[NH2+]CC2CC[NH+](C3CC3)CC2)nnn1Cc1cccnc1 ZINC000278486007 273263910 /nfs/dbraw/zinc/26/39/10/273263910.db2.gz KIIYSLAVNKOFQT-UHFFFAOYSA-N 2 0 326.448 1.685 20 0 EDADRP CC1(C)OCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000340235315 275881948 /nfs/dbraw/zinc/88/19/48/275881948.db2.gz LBLWEVWEYWWPSL-MRXNPFEDSA-N 2 0 333.480 1.536 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)ccc1F ZINC000188770640 276810836 /nfs/dbraw/zinc/81/08/36/276810836.db2.gz NJRVVARLMMTAMZ-UHFFFAOYSA-N 2 0 331.395 1.186 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)CC1 ZINC000353423811 276885869 /nfs/dbraw/zinc/88/58/69/276885869.db2.gz FKIFTLUQNNTZKL-RBUKOAKNSA-N 2 0 348.535 1.297 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@@H]2C1 ZINC000333322053 277174754 /nfs/dbraw/zinc/17/47/54/277174754.db2.gz NDOZBGJOHVLCDN-XJKSGUPXSA-N 2 0 330.432 1.727 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000361407007 277384784 /nfs/dbraw/zinc/38/47/84/277384784.db2.gz XKEYCVSOKARYAP-SJORKVTESA-N 2 0 338.496 1.269 20 0 EDADRP CCC[NH+]1CCC(N[C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000666353056 452801727 /nfs/dbraw/zinc/80/17/27/452801727.db2.gz SAAVPBKPEBIGHA-KRWDZBQOSA-N 2 0 326.529 1.543 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1nccn1C ZINC000341693335 278343839 /nfs/dbraw/zinc/34/38/39/278343839.db2.gz GOSYSIDILQZHDW-MRXNPFEDSA-N 2 0 343.479 1.463 20 0 EDADRP C[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1)[NH+](C)C ZINC000286963995 288127025 /nfs/dbraw/zinc/12/70/25/288127025.db2.gz AXUXSEAYFMZIME-HNNXBMFYSA-N 2 0 343.475 1.792 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000359278901 280097814 /nfs/dbraw/zinc/09/78/14/280097814.db2.gz UNARMBNRSGUHCW-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000345479634 280355947 /nfs/dbraw/zinc/35/59/47/280355947.db2.gz MTGHKHXIFHFXFY-BZUAXINKSA-N 2 0 328.501 1.203 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)CC[N@@H+]1CCOC ZINC000345733815 280358894 /nfs/dbraw/zinc/35/88/94/280358894.db2.gz CHOZASPNPQHKQR-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H](NC(=O)NCCCN1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287425890 288235388 /nfs/dbraw/zinc/23/53/88/288235388.db2.gz YSIJNPBSMAFLAV-SJLPKXTDSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000664217076 452892084 /nfs/dbraw/zinc/89/20/84/452892084.db2.gz KAWKMESTEYMORZ-HRCADAONSA-N 2 0 327.517 1.040 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417730625 282035371 /nfs/dbraw/zinc/03/53/71/282035371.db2.gz DNZHFLMUWVSJGS-MSOLQXFVSA-N 2 0 342.487 1.337 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000288553110 288513002 /nfs/dbraw/zinc/51/30/02/288513002.db2.gz VTNWKSJPXCQBFI-NVXWUHKLSA-N 2 0 346.475 1.721 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)n(C)c1C ZINC000291330573 289039275 /nfs/dbraw/zinc/03/92/75/289039275.db2.gz ZYEYKHUNXTVEFM-AWEZNQCLSA-N 2 0 336.480 1.093 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000333705972 289186146 /nfs/dbraw/zinc/18/61/46/289186146.db2.gz SCDRALRJSQLCFN-CABCVRRESA-N 2 0 334.468 1.393 20 0 EDADRP C[C@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356624023 289250876 /nfs/dbraw/zinc/25/08/76/289250876.db2.gz SESOWCSHFMJPPR-IXDOHACOSA-N 2 0 326.529 1.590 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000422816252 289268617 /nfs/dbraw/zinc/26/86/17/289268617.db2.gz DUVNOCBTGUZJRO-ZFWWWQNUSA-N 2 0 325.478 1.544 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000340856081 289280829 /nfs/dbraw/zinc/28/08/29/289280829.db2.gz CNBVLNMAHHXEFV-RTBURBONSA-N 2 0 342.487 1.815 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000169124843 297032632 /nfs/dbraw/zinc/03/26/32/297032632.db2.gz NAYYOOWHTITXFH-CLCXKQKWSA-N 2 0 333.451 1.961 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419660803 304653493 /nfs/dbraw/zinc/65/34/93/304653493.db2.gz CYZKUFVWDOLHFY-HZPDHXFCSA-N 2 0 340.512 1.197 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419812305 304688459 /nfs/dbraw/zinc/68/84/59/304688459.db2.gz ZKNJOHBVAWZJRQ-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000414752304 447322225 /nfs/dbraw/zinc/32/22/25/447322225.db2.gz OYPYJNMTRWERPB-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000297125331 303362609 /nfs/dbraw/zinc/36/26/09/303362609.db2.gz HGIGKJJGXJIMCG-QGZVFWFLSA-N 2 0 328.416 1.594 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cncs1 ZINC000299564211 303629405 /nfs/dbraw/zinc/62/94/05/303629405.db2.gz OBADGEDRELISST-UHFFFAOYSA-N 2 0 331.445 1.480 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000414874004 447337818 /nfs/dbraw/zinc/33/78/18/447337818.db2.gz AIVQNDMLSAEDFM-XKQJLSEDSA-N 2 0 332.448 1.828 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421873621 304816777 /nfs/dbraw/zinc/81/67/77/304816777.db2.gz HVNZWHZASFYQAD-HOCLYGCPSA-N 2 0 344.463 1.669 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422744094 304879498 /nfs/dbraw/zinc/87/94/98/304879498.db2.gz SGSCZMCJKKIXNX-KFKAGJAMSA-N 3 0 335.492 1.511 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)CC[NH2+]CC1 ZINC000423090612 304885468 /nfs/dbraw/zinc/88/54/68/304885468.db2.gz VVGGOSLKCIDAFF-HNNXBMFYSA-N 2 0 338.492 1.840 20 0 EDADRP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423205378 304889223 /nfs/dbraw/zinc/88/92/23/304889223.db2.gz PLPGKLNHIDERJU-GOSISDBHSA-N 2 0 325.460 1.745 20 0 EDADRP CC(C)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCC(C)CC1 ZINC000423315153 304892421 /nfs/dbraw/zinc/89/24/21/304892421.db2.gz ALBUGZVPNGCRFG-INIZCTEOSA-N 2 0 336.484 1.113 20 0 EDADRP CC1(C)[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCCO[C@H]21 ZINC000423385912 304894332 /nfs/dbraw/zinc/89/43/32/304894332.db2.gz KZMDALJZZFJLDM-IGQOVBAYSA-N 2 0 335.414 1.616 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CC[NH2+]CC1 ZINC000423400970 304894599 /nfs/dbraw/zinc/89/45/99/304894599.db2.gz XMLOEGLYGNYETB-APIJFGDWSA-N 2 0 347.425 1.760 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)COC1CC[NH2+]CC1 ZINC000423633179 304902685 /nfs/dbraw/zinc/90/26/85/304902685.db2.gz ATZOBDQXQNLHDK-UHFFFAOYSA-N 2 0 337.439 1.485 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000424011241 304925074 /nfs/dbraw/zinc/92/50/74/304925074.db2.gz IVXHCWRAYXZYIQ-IAGOWNOFSA-N 2 0 345.491 1.037 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)N3CCOc4ccccc43)C2)C1 ZINC000429006806 305022467 /nfs/dbraw/zinc/02/24/67/305022467.db2.gz NQYOOEDINDSVOT-IBGZPJMESA-N 2 0 329.444 1.830 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000429023147 305023013 /nfs/dbraw/zinc/02/30/13/305023013.db2.gz VBHVFWCRDPRQFF-SOLBZPMBSA-N 2 0 336.524 1.249 20 0 EDADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430603959 305058168 /nfs/dbraw/zinc/05/81/68/305058168.db2.gz ZPAVFTXBFWMJJW-WBVHZDCISA-N 2 0 325.497 1.853 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000430616025 305059125 /nfs/dbraw/zinc/05/91/25/305059125.db2.gz FEFQLKTWEKGLBX-DOTOQJQBSA-N 2 0 328.460 1.932 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000430840711 305065755 /nfs/dbraw/zinc/06/57/55/305065755.db2.gz YKIPUCFYMRKBAM-DOTOQJQBSA-N 2 0 347.459 1.327 20 0 EDADRP O=C(COC1C[NH2+]C1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000430894494 305067185 /nfs/dbraw/zinc/06/71/85/305067185.db2.gz NFYUAMCPNGWUBQ-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000430921251 305068208 /nfs/dbraw/zinc/06/82/08/305068208.db2.gz SDPXSPATECNVFU-HZMBPMFUSA-N 2 0 338.839 1.437 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000430934525 305069061 /nfs/dbraw/zinc/06/90/61/305069061.db2.gz PDQANTSPCRIHGP-GOSISDBHSA-N 2 0 349.450 1.657 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N(C)CCCOc2ccccc2)CC1 ZINC000430953366 305070533 /nfs/dbraw/zinc/07/05/33/305070533.db2.gz SZDWBKAAJQYSHO-INIZCTEOSA-N 2 0 333.476 1.973 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430956652 305070714 /nfs/dbraw/zinc/07/07/14/305070714.db2.gz LRZWQZPFDKJJOV-AWEZNQCLSA-N 2 0 340.489 1.918 20 0 EDADRP COCC[NH2+]CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000431016852 305072829 /nfs/dbraw/zinc/07/28/29/305072829.db2.gz YIRZIZJWQVSMHL-OAHLLOKOSA-N 2 0 335.448 1.582 20 0 EDADRP O=C(COC1C[NH2+]C1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000431029145 305073124 /nfs/dbraw/zinc/07/31/24/305073124.db2.gz YNLODBQYZOFVSI-UHFFFAOYSA-N 2 0 344.459 1.146 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000432852870 305096105 /nfs/dbraw/zinc/09/61/05/305096105.db2.gz RVVMYHDEAINPEQ-HNNXBMFYSA-N 2 0 337.489 1.511 20 0 EDADRP COC[C@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146052 305101751 /nfs/dbraw/zinc/10/17/51/305101751.db2.gz KAOOIZPQLXYLEP-SFHVURJKSA-N 2 0 333.476 1.564 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCOc2ccc(F)c(F)c2)CC1 ZINC000433156706 305102042 /nfs/dbraw/zinc/10/20/42/305102042.db2.gz KEWLBOMGTLCLSV-UHFFFAOYSA-N 2 0 341.402 1.663 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000433159895 305102169 /nfs/dbraw/zinc/10/21/69/305102169.db2.gz NIGSXLDTLBHUPE-HNNXBMFYSA-N 2 0 333.432 1.146 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1)C1CC1 ZINC000433329823 305105920 /nfs/dbraw/zinc/10/59/20/305105920.db2.gz HNTPIKSNXVJEGL-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433374990 305106804 /nfs/dbraw/zinc/10/68/04/305106804.db2.gz KGYAOMXEPIMSSD-BZUAXINKSA-N 2 0 348.495 1.300 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433861699 305113965 /nfs/dbraw/zinc/11/39/65/305113965.db2.gz DVCBOQASIPAJRR-MRXNPFEDSA-N 2 0 339.505 1.853 20 0 EDADRP O=C(CCN(C1CC1)[C@@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000435235850 305137499 /nfs/dbraw/zinc/13/74/99/305137499.db2.gz GECZMEVCPOCENM-MRXNPFEDSA-N 2 0 330.432 1.229 20 0 EDADRP O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235360 305137564 /nfs/dbraw/zinc/13/75/64/305137564.db2.gz DJGOIROOCQPGBU-OALUTQOASA-N 2 0 343.471 1.630 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438887776 305190486 /nfs/dbraw/zinc/19/04/86/305190486.db2.gz SFBYQLHYXZGUQL-KRWDZBQOSA-N 2 0 328.460 1.886 20 0 EDADRP CC(C)[NH+]1CCN(c2cncc(N3CC[NH+](C(C)C)CC3)n2)CC1 ZINC000439102911 305194017 /nfs/dbraw/zinc/19/40/17/305194017.db2.gz ZZLAMXFKQHAUKS-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1C1CC1 ZINC000441304210 305220383 /nfs/dbraw/zinc/22/03/83/305220383.db2.gz PFZMLXDGSZFZKB-DJIMGWMZSA-N 2 0 334.508 1.985 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414901178 447349302 /nfs/dbraw/zinc/34/93/02/447349302.db2.gz INWCXPVHFQCUDV-CABCVRRESA-N 2 0 346.475 1.835 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250024 305294409 /nfs/dbraw/zinc/29/44/09/305294409.db2.gz RGMHTVXWUBJJDQ-JKSUJKDBSA-N 2 0 342.553 1.797 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449357901 305312558 /nfs/dbraw/zinc/31/25/58/305312558.db2.gz DWBZFXAPSGASKO-FQEVSTJZSA-N 2 0 344.503 1.060 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)CO ZINC000451247936 305335352 /nfs/dbraw/zinc/33/53/52/305335352.db2.gz CINCNHRIFCRGQD-WMZOPIPTSA-N 2 0 347.503 1.716 20 0 EDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000451509902 305350230 /nfs/dbraw/zinc/35/02/30/305350230.db2.gz XFVOJVVVVICSLD-IAGOWNOFSA-N 2 0 337.508 1.911 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000515619433 305725398 /nfs/dbraw/zinc/72/53/98/305725398.db2.gz IZRYTHPDFIDZHE-PBHICJAKSA-N 2 0 330.476 1.512 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000517223255 305749815 /nfs/dbraw/zinc/74/98/15/305749815.db2.gz UKMAYXSXJFGJNM-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000519822280 305775753 /nfs/dbraw/zinc/77/57/53/305775753.db2.gz MLRIWEMHWVQCCP-UHFFFAOYSA-N 2 0 344.459 1.246 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1ncccc1F ZINC000527519235 305848490 /nfs/dbraw/zinc/84/84/90/305848490.db2.gz HWZZKVWYBJSCQY-UHFFFAOYSA-N 2 0 339.459 1.636 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540926751 306041804 /nfs/dbraw/zinc/04/18/04/306041804.db2.gz YVUXOMMUDVCCFM-KRWDZBQOSA-N 2 0 347.507 1.298 20 0 EDADRP CN(CCC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000541857419 306048337 /nfs/dbraw/zinc/04/83/37/306048337.db2.gz QYOHEXGLSQLXJC-UHFFFAOYSA-N 2 0 346.475 1.479 20 0 EDADRP NC(=O)c1c[nH+]ccc1NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000545159015 306080743 /nfs/dbraw/zinc/08/07/43/306080743.db2.gz XNZGXHLTIBULRN-UHFFFAOYSA-N 2 0 340.427 1.689 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)C(=O)NCC[NH+](C)C)c1ccccc1 ZINC000552083205 306175010 /nfs/dbraw/zinc/17/50/10/306175010.db2.gz WIDMGTOIYVTPQN-RDJZCZTQSA-N 2 0 348.491 1.252 20 0 EDADRP Cc1cc(=O)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1C ZINC000555560560 306202623 /nfs/dbraw/zinc/20/26/23/306202623.db2.gz CPTQCJYKJMQFIK-UHFFFAOYSA-N 2 0 336.480 1.039 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000557223538 306226802 /nfs/dbraw/zinc/22/68/02/306226802.db2.gz WBCPFHBJMHEDTE-GOSISDBHSA-N 2 0 347.463 1.312 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)n1cncn1 ZINC000377811748 447368104 /nfs/dbraw/zinc/36/81/04/447368104.db2.gz PCUNFEYJTFHQKE-NCOADZHNSA-N 2 0 335.496 1.881 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000414949391 447371316 /nfs/dbraw/zinc/37/13/16/447371316.db2.gz ZHRGXNPLZQODQX-RHSMWYFYSA-N 2 0 346.475 1.580 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414956745 447374690 /nfs/dbraw/zinc/37/46/90/447374690.db2.gz VPEAZDXOENCVKC-WWGRRREGSA-N 2 0 333.432 1.920 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN(C2CC2)CC1)CCC(F)(F)F ZINC000426009598 447378130 /nfs/dbraw/zinc/37/81/30/447378130.db2.gz GXHAGYCAZSYIJZ-UHFFFAOYSA-N 2 0 336.402 1.750 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000414971067 447379974 /nfs/dbraw/zinc/37/99/74/447379974.db2.gz VTSOXQZYONDJQU-NVXWUHKLSA-N 2 0 344.459 1.287 20 0 EDADRP Cc1nnsc1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000426083553 447387165 /nfs/dbraw/zinc/38/71/65/447387165.db2.gz CJEPRVCMPKWSGU-UHFFFAOYSA-N 2 0 342.513 1.262 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000659311174 453710686 /nfs/dbraw/zinc/71/06/86/453710686.db2.gz HVZFDZUJCRSYHK-LSDHHAIUSA-N 2 0 325.840 1.565 20 0 EDADRP CN1CCN(C(=O)/C=C\c2c(Cl)nc3sccn23)[C@H](C[NH3+])C1 ZINC000493835991 447406211 /nfs/dbraw/zinc/40/62/11/447406211.db2.gz LBOPZJQEYSGJJQ-MXQLGCADSA-N 2 0 339.852 1.164 20 0 EDADRP COc1ccc(CC[C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1O ZINC000426371771 447427489 /nfs/dbraw/zinc/42/74/89/447427489.db2.gz OPDUTNQWLCKCRN-MRXNPFEDSA-N 2 0 335.492 1.949 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000105173720 441240060 /nfs/dbraw/zinc/24/00/60/441240060.db2.gz BUVFWOIUFRGVTB-WMZOPIPTSA-N 2 0 342.528 1.717 20 0 EDADRP COc1ccc2[nH]cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2c1 ZINC000104533432 441196959 /nfs/dbraw/zinc/19/69/59/441196959.db2.gz MSLSNTVLWDHCGS-UHFFFAOYSA-N 2 0 346.475 1.671 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000073881135 441365679 /nfs/dbraw/zinc/36/56/79/441365679.db2.gz OTCLLBJFWDSTGC-DLBZAZTESA-N 2 0 341.544 1.290 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000051998607 441430645 /nfs/dbraw/zinc/43/06/45/441430645.db2.gz KIXJUGIIRVHPJU-LJQANCHMSA-N 2 0 347.503 1.634 20 0 EDADRP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085389905 441437121 /nfs/dbraw/zinc/43/71/21/441437121.db2.gz APYITTFZEQNOIL-HNNXBMFYSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000108547277 441463030 /nfs/dbraw/zinc/46/30/30/441463030.db2.gz ILAYMEODDAJHQW-HLLBOEOZSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCCO)CC(C)(C)C)CC1 ZINC000114456815 441658429 /nfs/dbraw/zinc/65/84/29/441658429.db2.gz USBMCDZZFIHZTC-UHFFFAOYSA-N 2 0 327.513 1.706 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000068080471 441724273 /nfs/dbraw/zinc/72/42/73/441724273.db2.gz NFDIXMQDEDXSPK-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)N3CCO[C@H]4CCCC[C@@H]43)CC[C@@H]21 ZINC000158895495 441770546 /nfs/dbraw/zinc/77/05/46/441770546.db2.gz LHUODWVHNGNJJO-XSLAGTTESA-N 2 0 335.492 1.573 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000158878318 441770761 /nfs/dbraw/zinc/77/07/61/441770761.db2.gz RIUHCWWVZDHBBO-KLZNWCGWSA-N 2 0 339.480 1.106 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCOCC1 ZINC000159002076 441780569 /nfs/dbraw/zinc/78/05/69/441780569.db2.gz IPYNBJXKMGWJIW-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCn2ccnc2)CC1 ZINC000159035390 441782190 /nfs/dbraw/zinc/78/21/90/441782190.db2.gz ZXXQYLVUYNKBHO-OAHLLOKOSA-N 2 0 342.447 1.803 20 0 EDADRP OCC1(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000159236247 441796933 /nfs/dbraw/zinc/79/69/33/441796933.db2.gz CUEJQUYFOJWNMF-OALUTQOASA-N 2 0 330.472 1.982 20 0 EDADRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1O ZINC000092615666 441813084 /nfs/dbraw/zinc/81/30/84/441813084.db2.gz PINZLCIEKPMZMC-UHFFFAOYSA-N 2 0 335.448 1.291 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1Cc2ccccc2C1 ZINC000143018769 441867933 /nfs/dbraw/zinc/86/79/33/441867933.db2.gz WSBDNJGUQFQXHZ-UHFFFAOYSA-N 2 0 327.472 1.829 20 0 EDADRP C[NH+](C)CCCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000116714051 441837068 /nfs/dbraw/zinc/83/70/68/441837068.db2.gz ZMJKUZCNRMRDIY-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCC3([NH3+])CCCCCC3)ccn2)CC1 ZINC000122495791 441852731 /nfs/dbraw/zinc/85/27/31/441852731.db2.gz JVGMNZNLFANARY-UHFFFAOYSA-N 2 0 345.491 1.615 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000077832609 441874219 /nfs/dbraw/zinc/87/42/19/441874219.db2.gz YTNLNSCDGJEBSC-AWEZNQCLSA-N 2 0 328.501 1.109 20 0 EDADRP CC[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)s1 ZINC000117982769 441883154 /nfs/dbraw/zinc/88/31/54/441883154.db2.gz WYAMMWHTIDOYLS-UHFFFAOYSA-N 2 0 340.493 1.111 20 0 EDADRP C[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)CS(C)(=O)=O ZINC000119540698 441940504 /nfs/dbraw/zinc/94/05/04/441940504.db2.gz RYSUKAIEBMIQHV-OAHLLOKOSA-N 2 0 332.510 1.244 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000174718656 441957287 /nfs/dbraw/zinc/95/72/87/441957287.db2.gz FIKXNILVCKHUFP-MSOLQXFVSA-N 2 0 346.519 1.822 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000079571455 442063366 /nfs/dbraw/zinc/06/33/66/442063366.db2.gz BRUWPQSXOMHSCY-UHFFFAOYSA-N 2 0 336.455 1.993 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151469449 442067207 /nfs/dbraw/zinc/06/72/07/442067207.db2.gz YCNKOSVZDHWSEC-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000162619290 442109079 /nfs/dbraw/zinc/10/90/79/442109079.db2.gz MIROUWAUGKDIHV-HZPDHXFCSA-N 2 0 327.538 1.908 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000175710145 442109651 /nfs/dbraw/zinc/10/96/51/442109651.db2.gz KEWJZEDYXISXFV-GOSISDBHSA-N 2 0 330.476 1.653 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000175728566 442112314 /nfs/dbraw/zinc/11/23/14/442112314.db2.gz HGXSOQLSSTZHIB-SJORKVTESA-N 2 0 339.528 1.184 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000151871476 442132232 /nfs/dbraw/zinc/13/22/32/442132232.db2.gz HRKTYOVZDITPBG-IPYPFGDCSA-N 2 0 325.478 1.728 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000163453097 442166228 /nfs/dbraw/zinc/16/62/28/442166228.db2.gz NNRBNJILHISKSV-INIZCTEOSA-N 2 0 345.447 1.305 20 0 EDADRP C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000121333924 442204454 /nfs/dbraw/zinc/20/44/54/442204454.db2.gz QFULSKRUHGVPCJ-SJORKVTESA-N 2 0 338.496 1.148 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000163968278 442187623 /nfs/dbraw/zinc/18/76/23/442187623.db2.gz XZHPYVRCIORTOS-IAGOWNOFSA-N 2 0 335.448 1.183 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]CC2=CCCOC2)cc1 ZINC000127406095 442199920 /nfs/dbraw/zinc/19/99/20/442199920.db2.gz ZUAGLOTVCNVRPX-UHFFFAOYSA-N 2 0 343.471 1.949 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)[C@H](C)C1 ZINC000128431173 442266055 /nfs/dbraw/zinc/26/60/55/442266055.db2.gz IRRGNSCXDOADBB-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccc(F)c1 ZINC000153604417 442291254 /nfs/dbraw/zinc/29/12/54/442291254.db2.gz RYCRYVWKBQCCTI-HZPDHXFCSA-N 2 0 339.480 1.982 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000128273276 442256760 /nfs/dbraw/zinc/25/67/60/442256760.db2.gz YIZQNNHINKFMJY-UHFFFAOYSA-N 2 0 345.535 1.663 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000171192769 442325543 /nfs/dbraw/zinc/32/55/43/442325543.db2.gz XUGFVXARORJORD-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP C[C@@H](NC[C@@H](O)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000154285541 442330400 /nfs/dbraw/zinc/33/04/00/442330400.db2.gz LXAZSJXZBWUMGR-GDBMZVCRSA-N 2 0 332.448 1.572 20 0 EDADRP CC[NH+](CC)CCNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000154432223 442338657 /nfs/dbraw/zinc/33/86/57/442338657.db2.gz INNGXBJXEBDUKU-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](NC(C)=O)C2)CC1 ZINC000153909388 442310440 /nfs/dbraw/zinc/31/04/40/442310440.db2.gz MJQXPWIRZFQJES-LJQANCHMSA-N 2 0 344.503 1.929 20 0 EDADRP CCCc1nnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000131234358 442367674 /nfs/dbraw/zinc/36/76/74/442367674.db2.gz HDAJGHVLFAUXQP-UHFFFAOYSA-N 2 0 328.486 1.448 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCCC1 ZINC000171899113 442388185 /nfs/dbraw/zinc/38/81/85/442388185.db2.gz XSEFELGQGFHXDI-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@H](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000178794660 442487703 /nfs/dbraw/zinc/48/77/03/442487703.db2.gz ZJXIHPSURLQMBV-MRXNPFEDSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000186102315 442463325 /nfs/dbraw/zinc/46/33/25/442463325.db2.gz XLCVRVKQOKTSMQ-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP O=C1OCC[C@]12CCC[NH+]2CCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000186631663 442578101 /nfs/dbraw/zinc/57/81/01/442578101.db2.gz HJGZJGHSQHMFGY-HDICACEKSA-N 2 0 336.432 1.330 20 0 EDADRP C[NH2+]C1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000179139945 442580946 /nfs/dbraw/zinc/58/09/46/442580946.db2.gz PGWSTPMDTIRYDU-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@H]2C1 ZINC000192528720 442658768 /nfs/dbraw/zinc/65/87/68/442658768.db2.gz FLVUJUYDMQZWGH-HDICACEKSA-N 2 0 342.487 1.219 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000186843844 442620520 /nfs/dbraw/zinc/62/05/20/442620520.db2.gz VIQWIKJVIBNFIA-UHFFFAOYSA-N 2 0 334.464 1.270 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188068442 442707766 /nfs/dbraw/zinc/70/77/66/442707766.db2.gz OUZYEPPCQWJVFW-JTDSTZFVSA-N 2 0 345.487 1.769 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000187200677 442660296 /nfs/dbraw/zinc/66/02/96/442660296.db2.gz BHBAYKPSNCYTQY-HOTGVXAUSA-N 2 0 342.528 1.356 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000187286358 442667225 /nfs/dbraw/zinc/66/72/25/442667225.db2.gz MEQKIXPOHMHQBA-AWEZNQCLSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188140710 442716071 /nfs/dbraw/zinc/71/60/71/442716071.db2.gz HUYIYRHBKBWYLF-IBGZPJMESA-N 2 0 333.476 1.422 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188258335 442730641 /nfs/dbraw/zinc/73/06/41/442730641.db2.gz OQBYVOLFUHQJKS-QZTJIDSGSA-N 2 0 331.460 1.345 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000193046196 442708160 /nfs/dbraw/zinc/70/81/60/442708160.db2.gz KFCOXKVOIOKJAQ-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000181725293 442712720 /nfs/dbraw/zinc/71/27/20/442712720.db2.gz ZYZXEFWWBRKLCG-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182624949 442797385 /nfs/dbraw/zinc/79/73/85/442797385.db2.gz GSRLUKYQEXGBGO-UHFFFAOYSA-N 2 0 331.460 1.649 20 0 EDADRP C[N@H+](CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)Cc1ccc(F)cc1 ZINC000188785020 442813265 /nfs/dbraw/zinc/81/32/65/442813265.db2.gz GJOOLYVEDWEPKW-UHFFFAOYSA-N 2 0 331.395 1.056 20 0 EDADRP COC(=O)C1CCN(C(=O)[C@H](C)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000246865796 442819330 /nfs/dbraw/zinc/81/93/30/442819330.db2.gz KUCRWVOWUGPHSK-GJZGRUSLSA-N 2 0 339.480 1.060 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000246989098 442825734 /nfs/dbraw/zinc/82/57/34/442825734.db2.gz KCSFYVJJDZXAEG-KSZLIROESA-N 2 0 327.513 1.434 20 0 EDADRP C[C@H](NC(=O)/C=C/C[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000265640174 442857549 /nfs/dbraw/zinc/85/75/49/442857549.db2.gz LRGLMUXIVVJGQX-NFAHFFEMSA-N 2 0 348.466 1.873 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000189174117 442891550 /nfs/dbraw/zinc/89/15/50/442891550.db2.gz RXRVASYWLAJCQQ-MRXNPFEDSA-N 2 0 345.466 1.796 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000268220842 442905359 /nfs/dbraw/zinc/90/53/59/442905359.db2.gz OPCMLOQAGVWUAB-PBHICJAKSA-N 2 0 336.455 1.849 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183220449 442905850 /nfs/dbraw/zinc/90/58/50/442905850.db2.gz LIKCWGCXFZUKAF-MRXNPFEDSA-N 2 0 334.464 1.578 20 0 EDADRP CN(CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1)CC[NH+](C)C ZINC000623087730 450398337 /nfs/dbraw/zinc/39/83/37/450398337.db2.gz FVZMIYLFPVKVJH-OAHLLOKOSA-N 2 0 326.510 1.968 20 0 EDADRP CC(C)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000236720773 443145411 /nfs/dbraw/zinc/14/54/11/443145411.db2.gz JCBKWYXUWVTMBG-IRXDYDNUSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000236781928 443147363 /nfs/dbraw/zinc/14/73/63/443147363.db2.gz KADRZUUZAHPMDO-ZACQAIPSSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000268807275 443114433 /nfs/dbraw/zinc/11/44/33/443114433.db2.gz LCWPIVREYVMUMY-ROUUACIJSA-N 3 0 331.508 1.666 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268985016 443166095 /nfs/dbraw/zinc/16/60/95/443166095.db2.gz LGFMDKWPUFQCIY-CYBMUJFWSA-N 2 0 341.477 1.165 20 0 EDADRP CCC[NH+]1CCN(c2cc(N3CC[NH+](CCC)CC3)ncn2)CC1 ZINC000185231920 443166492 /nfs/dbraw/zinc/16/64/92/443166492.db2.gz HNGBQTDCYYINAT-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCS1 ZINC000266594046 443179186 /nfs/dbraw/zinc/17/91/86/443179186.db2.gz RKMHHFNGHXMGCC-INIZCTEOSA-N 2 0 334.489 1.606 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000262016580 443180747 /nfs/dbraw/zinc/18/07/47/443180747.db2.gz MUUKYWWCHRVCEB-MRXNPFEDSA-N 2 0 342.443 1.760 20 0 EDADRP C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000262131252 443184119 /nfs/dbraw/zinc/18/41/19/443184119.db2.gz GNSXXIMJSPQKGY-MRXNPFEDSA-N 2 0 333.480 1.198 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000237001044 443155576 /nfs/dbraw/zinc/15/55/76/443155576.db2.gz FLMCCDCAYRUDLR-MPTYRVRUSA-N 2 0 325.497 1.708 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000269120285 443203662 /nfs/dbraw/zinc/20/36/62/443203662.db2.gz YYZNAKXIQPATPQ-UHFFFAOYSA-N 2 0 345.491 1.783 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382724564 319124295 /nfs/dbraw/zinc/12/42/95/319124295.db2.gz QQLMTNLCBUBQML-SJLPKXTDSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC000266812776 443252650 /nfs/dbraw/zinc/25/26/50/443252650.db2.gz HWDOVTDGZJMSQZ-UHFFFAOYSA-N 2 0 333.476 1.628 20 0 EDADRP CO[C@@](C)([C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411953663 319216397 /nfs/dbraw/zinc/21/63/97/319216397.db2.gz RZSXIHKERYMOAP-KSSFIOAISA-N 2 0 325.497 1.769 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000414202999 319319448 /nfs/dbraw/zinc/31/94/48/319319448.db2.gz YXXMZIYTEFCNFS-ACBHZAAOSA-N 2 0 343.475 1.672 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266825152 443258111 /nfs/dbraw/zinc/25/81/11/443258111.db2.gz ITIQYXJCOMZDEV-MRXNPFEDSA-N 2 0 333.476 1.734 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000414665500 319338396 /nfs/dbraw/zinc/33/83/96/319338396.db2.gz FBSXWSHCCBLDKO-UHFFFAOYSA-N 2 0 332.448 1.337 20 0 EDADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414670663 319338675 /nfs/dbraw/zinc/33/86/75/319338675.db2.gz DNTKHCJDISMUGE-RTBURBONSA-N 2 0 344.503 1.390 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC000414675273 319339690 /nfs/dbraw/zinc/33/96/90/319339690.db2.gz FNXYAKWHOJNMCI-OAHLLOKOSA-N 2 0 331.460 1.769 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000414685508 319342117 /nfs/dbraw/zinc/34/21/17/319342117.db2.gz ZLPQLBIJJRDPAP-MRXNPFEDSA-N 2 0 334.464 1.437 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414688016 319342954 /nfs/dbraw/zinc/34/29/54/319342954.db2.gz CPNSPKJYJWCXLG-GJZGRUSLSA-N 2 0 339.480 1.108 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415237821 319355744 /nfs/dbraw/zinc/35/57/44/319355744.db2.gz JYJLJBAVTGMYIA-CQSZACIVSA-N 2 0 346.475 1.507 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)ccc21 ZINC000415871482 319380101 /nfs/dbraw/zinc/38/01/01/319380101.db2.gz QJNDPCRRFZVVOY-RDJZCZTQSA-N 2 0 344.459 1.432 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000415962202 319385835 /nfs/dbraw/zinc/38/58/35/319385835.db2.gz WUBYUBLYSSPSIC-LSDHHAIUSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000415971095 319386296 /nfs/dbraw/zinc/38/62/96/319386296.db2.gz JCYSZIAKEDUEDH-HNNXBMFYSA-N 2 0 347.463 1.115 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990894 319387834 /nfs/dbraw/zinc/38/78/34/319387834.db2.gz DSPBXZZNAZKSKW-XQHKEYJVSA-N 2 0 338.418 1.932 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416827523 319464605 /nfs/dbraw/zinc/46/46/05/319464605.db2.gz CUTHFWRVQPDWMS-HOCLYGCPSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000416828469 319464750 /nfs/dbraw/zinc/46/47/50/319464750.db2.gz SGJQRRGWVRARFK-VBQJREDUSA-N 2 0 334.464 1.867 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)N(C)CC[NH3+])CCCC1)c1ccccc1 ZINC000418854556 319524891 /nfs/dbraw/zinc/52/48/91/319524891.db2.gz BOXVOQCWZPXVFW-HNNXBMFYSA-N 2 0 346.475 1.183 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])([NH+](C)C)C1 ZINC000418912978 319531212 /nfs/dbraw/zinc/53/12/12/319531212.db2.gz FQIKNMJQSWZPQH-KSSFIOAISA-N 2 0 340.512 1.056 20 0 EDADRP [NH3+]C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000418996792 319539265 /nfs/dbraw/zinc/53/92/65/319539265.db2.gz KOJMIOQPYLGGGV-INIZCTEOSA-N 2 0 338.496 1.002 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419017878 319542381 /nfs/dbraw/zinc/54/23/81/319542381.db2.gz OUBKNOCWDQFALI-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559156 443348252 /nfs/dbraw/zinc/34/82/52/443348252.db2.gz QFBYFXPRIUUABV-MOPGFXCFSA-N 2 0 347.503 1.642 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420385307 319613783 /nfs/dbraw/zinc/61/37/83/319613783.db2.gz HJOGEAIRWJDCFT-SJORKVTESA-N 2 0 325.497 1.853 20 0 EDADRP COCC[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000278757647 443427450 /nfs/dbraw/zinc/42/74/50/443427450.db2.gz XPEUSWHQWKXFNO-FQEVSTJZSA-N 2 0 347.503 1.542 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000278791604 443440985 /nfs/dbraw/zinc/44/09/85/443440985.db2.gz QKXZXLAYUPCZEU-ULQDDVLXSA-N 2 0 330.476 1.737 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732144 443395933 /nfs/dbraw/zinc/39/59/33/443395933.db2.gz NFXBZMWMTQFINI-ROUUACIJSA-N 2 0 347.507 1.143 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+]1CCOCC1 ZINC000422596719 319719581 /nfs/dbraw/zinc/71/95/81/319719581.db2.gz ZURQFOBSNOEIDZ-OAHLLOKOSA-N 2 0 328.501 1.550 20 0 EDADRP C[C@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCCC1 ZINC000278840342 443457485 /nfs/dbraw/zinc/45/74/85/443457485.db2.gz JUBZAGZTCQPHEW-OAHLLOKOSA-N 2 0 329.444 1.994 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039976 319749010 /nfs/dbraw/zinc/74/90/10/319749010.db2.gz GKOJGFCWOGGZFR-NHYWBVRUSA-N 2 0 343.830 1.928 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1=CC[NH2+]CC1 ZINC000423359295 319766283 /nfs/dbraw/zinc/76/62/83/319766283.db2.gz UVWWDPGROREKQZ-NSHDSACASA-N 2 0 326.238 1.509 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC[NH2+]C1 ZINC000423367818 319768101 /nfs/dbraw/zinc/76/81/01/319768101.db2.gz YXACDQXKYMCEKY-MJGOQNOKSA-N 2 0 337.508 1.583 20 0 EDADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000423437928 319775845 /nfs/dbraw/zinc/77/58/45/319775845.db2.gz UPADZKOJVZXJNV-YTQUADARSA-N 2 0 327.428 1.544 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@H](O)C1 ZINC000265227509 443576912 /nfs/dbraw/zinc/57/69/12/443576912.db2.gz ORPPCJSMXZUWGY-YJBOKZPZSA-N 2 0 331.460 1.222 20 0 EDADRP C[C@@H](COCc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153857 319972889 /nfs/dbraw/zinc/97/28/89/319972889.db2.gz XTOVWWTZRXAADT-INIZCTEOSA-N 2 0 333.476 1.911 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)CC1 ZINC000441221241 320093114 /nfs/dbraw/zinc/09/31/14/320093114.db2.gz CRIFRSHBTLVZKO-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000441811493 320102594 /nfs/dbraw/zinc/10/25/94/320102594.db2.gz FQDBSNHKUSUSIK-BDXSIMOUSA-N 2 0 327.513 1.120 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000444270021 320123596 /nfs/dbraw/zinc/12/35/96/320123596.db2.gz QRQUGVRABMFAKX-GOSISDBHSA-N 2 0 330.476 1.306 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000454507324 320290017 /nfs/dbraw/zinc/29/00/17/320290017.db2.gz ADOIYRSDRCXFOT-QYZOEREBSA-N 2 0 342.487 1.997 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454611361 320291406 /nfs/dbraw/zinc/29/14/06/320291406.db2.gz QWDUEQJWEOQKMR-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000457580822 320329126 /nfs/dbraw/zinc/32/91/26/320329126.db2.gz PJKMCOCLIIBUFP-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NCCOCC[NH+](C)C)[NH+](C)C)cc1 ZINC000471641819 320353075 /nfs/dbraw/zinc/35/30/75/320353075.db2.gz HBCWNPGYICILRC-KRWDZBQOSA-N 2 0 336.480 1.475 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(=O)[nH]1 ZINC000471967822 320353231 /nfs/dbraw/zinc/35/32/31/320353231.db2.gz MUEXFPXNAWLDMK-LBPRGKRZSA-N 2 0 326.466 1.337 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000489330998 320359165 /nfs/dbraw/zinc/35/91/65/320359165.db2.gz PSYFCOJTJOUBBL-XDNAFOTISA-N 2 0 339.524 1.919 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCC(=O)N2 ZINC000286251199 443677091 /nfs/dbraw/zinc/67/70/91/443677091.db2.gz UKJNTCNARFBLJI-ZBFHGGJFSA-N 2 0 347.459 1.905 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283841093 443739072 /nfs/dbraw/zinc/73/90/72/443739072.db2.gz FLOYAZZBGQBWJD-RDJZCZTQSA-N 2 0 348.491 1.252 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280812256 443748793 /nfs/dbraw/zinc/74/87/93/443748793.db2.gz MDMIGDXARVNIKH-QUCCMNQESA-N 2 0 327.472 1.941 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000281026239 443799358 /nfs/dbraw/zinc/79/93/58/443799358.db2.gz UVCNUQZAYRCISZ-RDJZCZTQSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000288111933 443774756 /nfs/dbraw/zinc/77/47/56/443774756.db2.gz VPBFKADTSFWHDG-RYQLBKOJSA-N 2 0 348.491 1.119 20 0 EDADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241484 320617119 /nfs/dbraw/zinc/61/71/19/320617119.db2.gz QHNQBGLJRWBDFB-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)[N@H+](C)C1 ZINC000285069299 443843483 /nfs/dbraw/zinc/84/34/83/443843483.db2.gz KJHONFFMGVAJSV-HOTGVXAUSA-N 2 0 349.475 1.418 20 0 EDADRP Cc1cc(C)n2c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)cnc2n1 ZINC000537310251 320734204 /nfs/dbraw/zinc/73/42/04/320734204.db2.gz CSQKNPBKLQGQNU-UHFFFAOYSA-N 2 0 331.464 1.671 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000293013029 443902986 /nfs/dbraw/zinc/90/29/86/443902986.db2.gz HPXWJDZHKUEVQY-RTBURBONSA-N 2 0 335.467 1.441 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000562815557 321078263 /nfs/dbraw/zinc/07/82/63/321078263.db2.gz CBSPQDWNNBCDNT-GJZGRUSLSA-N 2 0 347.463 1.310 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563093296 321094707 /nfs/dbraw/zinc/09/47/07/321094707.db2.gz ZUYQUBSSUITHFU-WMLDXEAASA-N 2 0 333.480 1.610 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)C1 ZINC000563422476 321110467 /nfs/dbraw/zinc/11/04/67/321110467.db2.gz DOLIIETUIKTXJL-ZWKOTPCHSA-N 2 0 333.476 1.757 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000563886026 321114620 /nfs/dbraw/zinc/11/46/20/321114620.db2.gz ZYVAIZPVYVSPQL-IRXDYDNUSA-N 2 0 346.475 1.170 20 0 EDADRP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564698326 321142450 /nfs/dbraw/zinc/14/24/50/321142450.db2.gz ZMZPGHGTHJIPPL-HOCLYGCPSA-N 2 0 337.512 1.205 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(Cl)c(F)c1 ZINC000564705833 321143354 /nfs/dbraw/zinc/14/33/54/321143354.db2.gz GDXBGFTYKRBIGI-UHFFFAOYSA-N 2 0 329.847 1.973 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000564824330 321150160 /nfs/dbraw/zinc/15/01/60/321150160.db2.gz FGQJTNIRNWMYNJ-DMHIMHRUSA-N 2 0 348.491 1.537 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564857349 321152022 /nfs/dbraw/zinc/15/20/22/321152022.db2.gz KCDYGBZXUAUAGU-LSDHHAIUSA-N 2 0 336.432 1.477 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564931448 321158410 /nfs/dbraw/zinc/15/84/10/321158410.db2.gz LXYPLPDWGYEIOI-NRSFXHEJSA-N 2 0 331.460 1.390 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564931444 321158616 /nfs/dbraw/zinc/15/86/16/321158616.db2.gz LXYPLPDWGYEIOI-LAVFITLUSA-N 2 0 331.460 1.390 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000565361180 321183459 /nfs/dbraw/zinc/18/34/59/321183459.db2.gz IEMDSFBNSIMPKT-KHYOSLBOSA-N 2 0 335.492 1.511 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000565360877 321183478 /nfs/dbraw/zinc/18/34/78/321183478.db2.gz CADGWNUHLBQPLH-HOTGVXAUSA-N 2 0 337.508 1.914 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000566211955 321222737 /nfs/dbraw/zinc/22/27/37/321222737.db2.gz AAASIBIYDPZNLS-UCMJJCQDSA-N 2 0 329.444 1.180 20 0 EDADRP CC[C@]1(C(=O)N[C@@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000567982660 321271435 /nfs/dbraw/zinc/27/14/35/321271435.db2.gz IIDOKCFOUTZYME-XKGZKEIXSA-N 2 0 345.487 1.924 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000568474919 321292712 /nfs/dbraw/zinc/29/27/12/321292712.db2.gz LSVBEIRVPBNUNU-RCCFBDPRSA-N 2 0 337.508 1.602 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1c[nH]c(=S)[nH]1 ZINC000282165302 444102963 /nfs/dbraw/zinc/10/29/63/444102963.db2.gz NDMPFUHHTRYIPG-UHFFFAOYSA-N 2 0 346.460 1.036 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000570081481 321336773 /nfs/dbraw/zinc/33/67/73/321336773.db2.gz AZOZXOYAVMRAKX-AWEZNQCLSA-N 2 0 331.382 1.403 20 0 EDADRP C[NH+](C)[C@@H](CN1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O)c1ccccc1 ZINC000285781121 444106560 /nfs/dbraw/zinc/10/65/60/444106560.db2.gz CNCBEAFVNWQZKW-GJZGRUSLSA-N 2 0 327.388 1.176 20 0 EDADRP Cc1ccc(CN2CCOCC2)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000285854492 444129627 /nfs/dbraw/zinc/12/96/27/444129627.db2.gz YBSFHEDZIFWWGW-INIZCTEOSA-N 2 0 333.432 1.144 20 0 EDADRP CN(CCC[N@H+](C)C[C@H](O)COCc1ccccc1)CC[NH+](C)C ZINC000289420156 444138417 /nfs/dbraw/zinc/13/84/17/444138417.db2.gz MPSIEYWYWIYTTE-IBGZPJMESA-N 2 0 337.508 1.379 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCN2C(=O)CNC2=O)CC1 ZINC000285893394 444144722 /nfs/dbraw/zinc/14/47/22/444144722.db2.gz AXSSKKAQEQIAIH-UHFFFAOYSA-N 2 0 344.459 1.571 20 0 EDADRP CN(CCC[N@H+](C)C[C@H](O)c1c(F)cccc1F)CC[NH+](C)C ZINC000289452789 444148062 /nfs/dbraw/zinc/14/80/62/444148062.db2.gz PGBSQXUKIPVXSW-INIZCTEOSA-N 2 0 329.435 1.814 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000285939989 444159114 /nfs/dbraw/zinc/15/91/14/444159114.db2.gz VNCHSXKBDONZIP-RTBURBONSA-N 2 0 343.471 1.828 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccnc(OC3CCCC3)c2)CC1 ZINC000573953877 321465002 /nfs/dbraw/zinc/46/50/02/321465002.db2.gz OCEQIOQZPVVJTG-QGZVFWFLSA-N 2 0 348.491 1.101 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(F)c1F ZINC000575744797 321525101 /nfs/dbraw/zinc/52/51/01/321525101.db2.gz GFTPGIGDBZRXLG-UHFFFAOYSA-N 2 0 349.447 1.220 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000576230922 321548995 /nfs/dbraw/zinc/54/89/95/321548995.db2.gz SUKAXCMPOZZKJF-MSOLQXFVSA-N 2 0 336.524 1.582 20 0 EDADRP O[C@@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304955474 444254489 /nfs/dbraw/zinc/25/44/89/444254489.db2.gz YTIRACUSHUSCGY-DLBZAZTESA-N 2 0 326.481 1.351 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[NH+](C)C)cc1 ZINC000290220814 444255876 /nfs/dbraw/zinc/25/58/76/444255876.db2.gz HZXLWDWFBSMXIX-JKSUJKDBSA-N 2 0 335.448 1.248 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](C)[NH2+]C3CC3)cc2)CC1 ZINC000296410188 444228100 /nfs/dbraw/zinc/22/81/00/444228100.db2.gz MACHIOAAYCPMSI-HNNXBMFYSA-N 2 0 330.476 1.903 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000303271261 444235750 /nfs/dbraw/zinc/23/57/50/444235750.db2.gz JRMJUWSWMOPJLF-BBWFWOEESA-N 2 0 339.524 1.801 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)N2CCCCC2)CC1 ZINC000303319560 444236633 /nfs/dbraw/zinc/23/66/33/444236633.db2.gz USRWMJFKGHQYAH-HZPDHXFCSA-N 2 0 325.497 1.412 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC(C)(C)CC2)C1 ZINC000303956514 444238478 /nfs/dbraw/zinc/23/84/78/444238478.db2.gz XOAUZAMVZGFNRF-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000296582469 444240015 /nfs/dbraw/zinc/24/00/15/444240015.db2.gz WYDYYVNHDGRRKD-HKUYNNGSSA-N 2 0 346.519 1.870 20 0 EDADRP Cc1cc(F)ccc1[C@@H](O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305711452 444274554 /nfs/dbraw/zinc/27/45/54/444274554.db2.gz FLTTUQVTRTVJBI-ROUUACIJSA-N 2 0 349.450 1.582 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000340000269 444351582 /nfs/dbraw/zinc/35/15/82/444351582.db2.gz ICOSGKFHNUEDOO-HZPDHXFCSA-N 2 0 340.512 1.022 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337726577 444376520 /nfs/dbraw/zinc/37/65/20/444376520.db2.gz UJJVSONAZGHODN-SFHVURJKSA-N 2 0 330.476 1.556 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331235185 444453379 /nfs/dbraw/zinc/45/33/79/444453379.db2.gz SVFNKAYTLNMMQN-INIZCTEOSA-N 2 0 339.505 1.899 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000331236442 444454001 /nfs/dbraw/zinc/45/40/01/444454001.db2.gz HHDZVFUAPSHGLK-OAHLLOKOSA-N 2 0 343.475 1.853 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000340711071 444485723 /nfs/dbraw/zinc/48/57/23/444485723.db2.gz LXLJBWRWNGRGIN-GOSISDBHSA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+]C1CCC([NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000580168783 322017002 /nfs/dbraw/zinc/01/70/02/322017002.db2.gz FANLDRQGGJCRLV-DAWZGUTISA-N 2 0 331.460 1.316 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)CC[NH2+]C3CC3)c2)CCO1 ZINC000580215979 322025036 /nfs/dbraw/zinc/02/50/36/322025036.db2.gz JOYWPTTUDFXXFK-HNNXBMFYSA-N 2 0 331.460 1.666 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(F)cc2C(F)(F)F)CC1 ZINC000580295527 322032583 /nfs/dbraw/zinc/03/25/83/322032583.db2.gz BWOBILQSJQGCKL-CQSZACIVSA-N 2 0 349.372 1.542 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCCCC[NH2+]3)c2)CC1 ZINC000580332207 322039110 /nfs/dbraw/zinc/03/91/10/322039110.db2.gz JIHJOQYDTFOUGS-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580881910 322107058 /nfs/dbraw/zinc/10/70/58/322107058.db2.gz GBYNYQLPNRVSTG-BPQIPLTHSA-N 2 0 330.476 1.806 20 0 EDADRP CC[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000581001347 322122580 /nfs/dbraw/zinc/12/25/80/322122580.db2.gz PJFFGJZVCXANJO-UHFFFAOYSA-N 2 0 338.496 1.002 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000581359167 322167680 /nfs/dbraw/zinc/16/76/80/322167680.db2.gz VQXYSSMMXCXXFA-OAHLLOKOSA-N 2 0 340.537 1.647 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCN(Cc2ccccn2)CC1)C1CCCC1 ZINC000581933643 322234528 /nfs/dbraw/zinc/23/45/28/322234528.db2.gz RJPWXKFZERGTMD-QGZVFWFLSA-N 2 0 331.464 1.426 20 0 EDADRP C[C@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC1=O ZINC000343722027 444545464 /nfs/dbraw/zinc/54/54/64/444545464.db2.gz LHIBYCLFMHVWCH-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000338283145 444611014 /nfs/dbraw/zinc/61/10/14/444611014.db2.gz HFYDESDXJHASDD-HLLBOEOZSA-N 2 0 341.521 1.217 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000332971625 444616532 /nfs/dbraw/zinc/61/65/32/444616532.db2.gz BPBFIJCTCPFJOC-SIXLDLHFSA-N 2 0 338.496 1.146 20 0 EDADRP CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000341171523 444709481 /nfs/dbraw/zinc/70/94/81/444709481.db2.gz XCXVJEYQQZEHFW-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(N[C@@H]1CCCC[NH2+]C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333898250 444712519 /nfs/dbraw/zinc/71/25/19/444712519.db2.gz ZJMIPLSHBYNWKR-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@H](C)CC[NH+](C)C)CC1 ZINC000341184441 444715712 /nfs/dbraw/zinc/71/57/12/444715712.db2.gz JECNYWBRNPLUDK-CABCVRRESA-N 2 0 341.496 1.497 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342422563 444685727 /nfs/dbraw/zinc/68/57/27/444685727.db2.gz HASWXRHJJAPJFR-HOCLYGCPSA-N 2 0 325.522 1.614 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1)CC[NH2+]CC2 ZINC000333634050 444687282 /nfs/dbraw/zinc/68/72/82/444687282.db2.gz WGBJIIPKUDSRRZ-LSDHHAIUSA-N 2 0 329.510 1.122 20 0 EDADRP C[C@@H](O)[C@H]1CCN(c2cc(NCC[N@@H+]3CCC[C@@H](C)C3)ncn2)C1 ZINC000334058786 444765521 /nfs/dbraw/zinc/76/55/21/444765521.db2.gz XJWIDIARENKMIW-OAGGEKHMSA-N 2 0 333.480 1.828 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CC1CCS(=O)(=O)CC1 ZINC000344116896 444790269 /nfs/dbraw/zinc/79/02/69/444790269.db2.gz AYZKCHZHXFRSEQ-UHFFFAOYSA-N 2 0 345.553 1.161 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342713686 444829963 /nfs/dbraw/zinc/82/99/63/444829963.db2.gz TUWHQQSICFPHGY-UHFFFAOYSA-N 2 0 347.503 1.927 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000344204914 444838123 /nfs/dbraw/zinc/83/81/23/444838123.db2.gz BHLAQWRVHRKRBE-QZTJIDSGSA-N 2 0 346.523 1.309 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000344306513 444892001 /nfs/dbraw/zinc/89/20/01/444892001.db2.gz QBZYMCHGXTZNSU-UHFFFAOYSA-N 2 0 330.476 1.648 20 0 EDADRP CC(=O)N[C@@H](C)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337329612 445035117 /nfs/dbraw/zinc/03/51/17/445035117.db2.gz ZYIHPADHCFPHSZ-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697559 445133017 /nfs/dbraw/zinc/13/30/17/445133017.db2.gz LJICMFXQMRYGDY-DOTOQJQBSA-N 2 0 338.540 1.543 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000343157541 445103464 /nfs/dbraw/zinc/10/34/64/445103464.db2.gz FSLBHFKZWYXFKK-KRWDZBQOSA-N 2 0 333.480 1.869 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342098571 445171753 /nfs/dbraw/zinc/17/17/53/445171753.db2.gz ILAOJTFGJLLREP-COMQUAJESA-N 2 0 348.422 1.922 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343394464 445215034 /nfs/dbraw/zinc/21/50/34/445215034.db2.gz ZDMHUGUZFXLJRE-QAPCUYQASA-N 2 0 336.480 1.588 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC[N@@H+]1C ZINC000345755382 445198185 /nfs/dbraw/zinc/19/81/85/445198185.db2.gz RYHXOSIWCCQREY-IRXDYDNUSA-N 3 0 341.544 1.384 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000347194512 445233939 /nfs/dbraw/zinc/23/39/39/445233939.db2.gz GYYBRPIFNMBSQO-GJZGRUSLSA-N 2 0 336.480 1.561 20 0 EDADRP C[C@H]([NH2+]CCNc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099170 445267701 /nfs/dbraw/zinc/26/77/01/445267701.db2.gz WFOPQRAZIZQBPG-FUHWJXTLSA-N 2 0 325.460 2.389 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000351639559 445252775 /nfs/dbraw/zinc/25/27/75/445252775.db2.gz ZWQACHDYNKIGLI-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000351738942 445301235 /nfs/dbraw/zinc/30/12/35/445301235.db2.gz SVKXFFYMSOGINT-IKGGRYGDSA-N 2 0 339.528 1.137 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000354661887 445330639 /nfs/dbraw/zinc/33/06/39/445330639.db2.gz MSVGAJYYCGHTRH-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)C1 ZINC000351879042 445351658 /nfs/dbraw/zinc/35/16/58/445351658.db2.gz IPQJKVKSCGQZQN-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1csc2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc(=O)n12 ZINC000357079507 445413311 /nfs/dbraw/zinc/41/33/11/445413311.db2.gz LCLSTBOHWJJZRS-CQSZACIVSA-N 2 0 332.473 1.886 20 0 EDADRP CC[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)O1 ZINC000362506731 445416701 /nfs/dbraw/zinc/41/67/01/445416701.db2.gz NISLXNNZMXKMEQ-ZACQAIPSSA-N 2 0 325.497 1.819 20 0 EDADRP COCc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357090074 445420924 /nfs/dbraw/zinc/42/09/24/445420924.db2.gz QVTJGYSQIKBWQR-LJQANCHMSA-N 2 0 345.487 1.771 20 0 EDADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1)CC1CC1 ZINC000357092458 445423220 /nfs/dbraw/zinc/42/32/20/445423220.db2.gz YOEUMNPMWNVXPC-AWEZNQCLSA-N 2 0 338.496 1.665 20 0 EDADRP [NH3+]CCOCC[NH+]1CCC(C(=O)N(Cc2ccccc2)C2CC2)CC1 ZINC000357092989 445423392 /nfs/dbraw/zinc/42/33/92/445423392.db2.gz VKNYWUSXDSNIOO-UHFFFAOYSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351933755 445383962 /nfs/dbraw/zinc/38/39/62/445383962.db2.gz DNGDOTDTCMCVSC-MDZRGWNJSA-N 2 0 345.487 1.468 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)C1 ZINC000349004356 445472956 /nfs/dbraw/zinc/47/29/56/445472956.db2.gz RPGIAWHOKRMMPF-OAHLLOKOSA-N 2 0 347.459 1.724 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006146 445473040 /nfs/dbraw/zinc/47/30/40/445473040.db2.gz SYAVJKCOXNQQKG-HNNXBMFYSA-N 2 0 331.460 1.707 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1[NH+](C)C ZINC000362656584 445481183 /nfs/dbraw/zinc/48/11/83/445481183.db2.gz SAGVIQKYGWPUJO-BPQIPLTHSA-N 2 0 332.492 1.751 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000352016256 445440589 /nfs/dbraw/zinc/44/05/89/445440589.db2.gz WBEJFTAECZAEJX-SJORKVTESA-N 2 0 344.503 1.993 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCSC1 ZINC000357131509 445444912 /nfs/dbraw/zinc/44/49/12/445444912.db2.gz QSNJGARHXNGIHC-MRXNPFEDSA-N 2 0 328.526 1.455 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000362569792 445445003 /nfs/dbraw/zinc/44/50/03/445445003.db2.gz OWQWRPGLZXESEC-HUUCEWRRSA-N 2 0 325.522 1.662 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NCCCC[NH+]1CCC[C@H]1CO ZINC000355262374 445452531 /nfs/dbraw/zinc/45/25/31/445452531.db2.gz DEBLDKWEAJOBEV-IRXDYDNUSA-N 2 0 325.497 1.604 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000357269794 445517618 /nfs/dbraw/zinc/51/76/18/445517618.db2.gz ITCOFJUNLBQXIO-HKUYNNGSSA-N 2 0 333.476 1.954 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000360014215 445529540 /nfs/dbraw/zinc/52/95/40/445529540.db2.gz CBHVVMJFWQLHPQ-QGZVFWFLSA-N 2 0 347.503 1.982 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924247 445490946 /nfs/dbraw/zinc/49/09/46/445490946.db2.gz NBGFXBQLBSVPRH-HOTGVXAUSA-N 2 0 342.528 1.593 20 0 EDADRP COc1cccc(Cl)c1CN1CCC[C@H](N2CCNCC2=O)C1 ZINC000362677008 445494184 /nfs/dbraw/zinc/49/41/84/445494184.db2.gz WRBGGSXQSWGIMR-ZDUSSCGKSA-N 2 0 337.851 1.745 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000357240121 445500387 /nfs/dbraw/zinc/50/03/87/445500387.db2.gz JLUHYEREABWFJZ-NZSAHSFTSA-N 2 0 345.487 1.876 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360125103 445581298 /nfs/dbraw/zinc/58/12/98/445581298.db2.gz NQTPXWOVHOUCEB-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000362856708 445582834 /nfs/dbraw/zinc/58/28/34/445582834.db2.gz SHXBORPCVLPBKJ-GOEBONIOSA-N 2 0 328.526 1.405 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353435565 445600824 /nfs/dbraw/zinc/60/08/24/445600824.db2.gz WQYWPGVVXPULLC-SJORKVTESA-N 2 0 337.508 1.914 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356070329 445601715 /nfs/dbraw/zinc/60/17/15/445601715.db2.gz RPZACNGAZHELBE-QRQLOZEOSA-N 2 0 347.503 1.811 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnn(CC(F)F)c1 ZINC000353499835 445630331 /nfs/dbraw/zinc/63/03/31/445630331.db2.gz DMPWGIZOZFJMBE-MRXNPFEDSA-N 2 0 343.466 1.996 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000356125195 445635445 /nfs/dbraw/zinc/63/54/45/445635445.db2.gz OWOCXUUESCFQJG-SFHVURJKSA-N 2 0 339.443 1.489 20 0 EDADRP CC(C)C[C@@H]([NH2+]Cc1cc(O)cc(F)c1)C(=O)NCC[NH+](C)C ZINC000349656336 445635853 /nfs/dbraw/zinc/63/58/53/445635853.db2.gz PDZSBLKGHUJNGS-MRXNPFEDSA-N 2 0 325.428 1.713 20 0 EDADRP CCc1nn(C)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000356053059 445592496 /nfs/dbraw/zinc/59/24/96/445592496.db2.gz WGPGCIXTCQJESB-HNNXBMFYSA-N 2 0 335.496 1.471 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000353635928 445685119 /nfs/dbraw/zinc/68/51/19/445685119.db2.gz NXNBJHACDYPRDL-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000353638905 445687050 /nfs/dbraw/zinc/68/70/50/445687050.db2.gz BZBYSKCKKCTPNX-OGWOLHLISA-N 2 0 336.476 1.927 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](CC)CC3)cc2)CC1 ZINC000363178772 445708673 /nfs/dbraw/zinc/70/86/73/445708673.db2.gz WRVQCWYNMRQQRA-UHFFFAOYSA-N 2 0 344.503 1.996 20 0 EDADRP C[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000356360984 445752332 /nfs/dbraw/zinc/75/23/32/445752332.db2.gz XPYSZYOBISZWLO-HNNXBMFYSA-N 3 0 339.528 1.137 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000363481452 445823116 /nfs/dbraw/zinc/82/31/16/445823116.db2.gz SCGAIBIRDOCLMQ-UXHICEINSA-N 2 0 331.504 1.549 20 0 EDADRP C[C@@H](NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C(C)(C)C[NH+](C)C ZINC000358845232 445806750 /nfs/dbraw/zinc/80/67/50/445806750.db2.gz FWGIJSPFRWRKSK-CQSZACIVSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)[NH+](C)C ZINC000364548003 445931169 /nfs/dbraw/zinc/93/11/69/445931169.db2.gz SRBLGAGGULNKLN-YLFCFFPRSA-N 2 0 325.497 1.578 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@]2(CCOC)CC[NH2+]C2)[NH+](C)C)cc1 ZINC000361723172 445899342 /nfs/dbraw/zinc/89/93/42/445899342.db2.gz LTQLDMNNAASYQA-QUCCMNQESA-N 2 0 347.503 1.984 20 0 EDADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)s1 ZINC000356698812 445947609 /nfs/dbraw/zinc/94/76/09/445947609.db2.gz OYAGKAPKJPJEBT-LBPRGKRZSA-N 2 0 327.494 1.748 20 0 EDADRP COC(=O)[C@H]1CC[NH+](CCCCC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000354244436 446041191 /nfs/dbraw/zinc/04/11/91/446041191.db2.gz PPMKSPCKQJZEAH-GJZGRUSLSA-N 2 0 326.437 1.147 20 0 EDADRP C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000583311671 326046783 /nfs/dbraw/zinc/04/67/83/326046783.db2.gz CNNHQTUVQGFASA-RDJZCZTQSA-N 2 0 334.464 1.266 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000365148059 446053650 /nfs/dbraw/zinc/05/36/50/446053650.db2.gz ZONLBECCGLKVNE-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000583572634 326098231 /nfs/dbraw/zinc/09/82/31/326098231.db2.gz SAXRDHYAYVSJRP-SFHVURJKSA-N 2 0 334.460 1.723 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359227237 446058037 /nfs/dbraw/zinc/05/80/37/446058037.db2.gz VYIIDLWDVNYWNL-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP C[C@@H]1CN(C(=O)/C=C/c2ccn(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000365173454 446065940 /nfs/dbraw/zinc/06/59/40/446065940.db2.gz ULLYGUBRAKMTGX-DWTRPJMMSA-N 2 0 330.476 1.665 20 0 EDADRP CC1(C)[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H]2CCCO[C@@H]21 ZINC000584154041 326208440 /nfs/dbraw/zinc/20/84/40/326208440.db2.gz APMOLAJAICEMAB-NXHRZFHOSA-N 2 0 335.492 1.523 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191241 446087709 /nfs/dbraw/zinc/08/77/09/446087709.db2.gz QASJDPNZCSWLQW-MSOLQXFVSA-N 2 0 330.476 1.854 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000351478101 446079134 /nfs/dbraw/zinc/07/91/34/446079134.db2.gz OVOOWAPJYQYVCA-FAYQHZLMSA-N 2 0 349.450 1.850 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@H]2C1)Cc1ccccc1 ZINC000373191247 446087614 /nfs/dbraw/zinc/08/76/14/446087614.db2.gz QASJDPNZCSWLQW-ROUUACIJSA-N 2 0 330.476 1.854 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356898501 446104839 /nfs/dbraw/zinc/10/48/39/446104839.db2.gz UXDQLGKWTCWANW-ZBFHGGJFSA-N 2 0 349.475 1.640 20 0 EDADRP COc1cc(NC(=O)CC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000359279590 446115693 /nfs/dbraw/zinc/11/56/93/446115693.db2.gz PCCQNZBTCGIRRA-BETUJISGSA-N 2 0 349.431 1.192 20 0 EDADRP Cc1ccncc1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000354346666 446131463 /nfs/dbraw/zinc/13/14/63/446131463.db2.gz IJHCCLTYCPOKSI-UHFFFAOYSA-N 2 0 326.444 1.971 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000366344484 446164738 /nfs/dbraw/zinc/16/47/38/446164738.db2.gz FQXQGJGTTCKCSI-WNHJNPCNSA-N 2 0 345.487 1.940 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351568935 446166400 /nfs/dbraw/zinc/16/64/00/446166400.db2.gz SGPKDHKHVKKBQO-CQSZACIVSA-N 2 0 327.494 1.757 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000369660636 446142336 /nfs/dbraw/zinc/14/23/36/446142336.db2.gz KRXKELLLRGTWFE-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000369663081 446142871 /nfs/dbraw/zinc/14/28/71/446142871.db2.gz SKBQJOGPXXZQLV-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCS1 ZINC000369790958 446154995 /nfs/dbraw/zinc/15/49/95/446154995.db2.gz PFXPBXKZJNJXLC-HOCLYGCPSA-N 2 0 340.537 1.692 20 0 EDADRP Cc1nccn1C[C@H](C)C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000365416171 446196554 /nfs/dbraw/zinc/19/65/54/446196554.db2.gz BRAFWCPOQOYUGA-CYBMUJFWSA-N 2 0 325.420 1.808 20 0 EDADRP CN(C(=O)CC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000366619003 446283067 /nfs/dbraw/zinc/28/30/67/446283067.db2.gz DMOZNSRRUKTFMG-LJQANCHMSA-N 2 0 344.503 1.751 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417334739 446346645 /nfs/dbraw/zinc/34/66/45/446346645.db2.gz FWEGVBNMPBPACF-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@H]4CCCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000370503527 446309240 /nfs/dbraw/zinc/30/92/40/446309240.db2.gz UQZHJMIDOGZWJD-YESZJQIVSA-N 2 0 347.507 1.870 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000359618663 446322470 /nfs/dbraw/zinc/32/24/70/446322470.db2.gz HODVSVGGZFJZOY-KSZLIROESA-N 2 0 334.460 1.658 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000366745740 446332743 /nfs/dbraw/zinc/33/27/43/446332743.db2.gz OJQCKPKFIYEPBY-UHFFFAOYSA-N 2 0 348.495 1.955 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417331072 446344924 /nfs/dbraw/zinc/34/49/24/446344924.db2.gz LRDYBCODKOEPFB-HNNXBMFYSA-N 2 0 348.491 1.814 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C[C@H]1CCC=CO1 ZINC000365810412 446352036 /nfs/dbraw/zinc/35/20/36/446352036.db2.gz AOUVLKQDHLULIO-MRXNPFEDSA-N 2 0 333.480 1.653 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CC[NH2+]C1 ZINC000417510607 446358803 /nfs/dbraw/zinc/35/88/03/446358803.db2.gz XJKGMPZVSCCAON-QZTJIDSGSA-N 2 0 330.476 1.460 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516838 446360355 /nfs/dbraw/zinc/36/03/55/446360355.db2.gz OVOSNLJKCULPKO-IRXDYDNUSA-N 2 0 334.464 1.357 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417581344 446365871 /nfs/dbraw/zinc/36/58/71/446365871.db2.gz HHTYPAVNFCHBAL-OAHLLOKOSA-N 2 0 340.512 1.789 20 0 EDADRP C[NH2+]CCNC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417682402 446370487 /nfs/dbraw/zinc/37/04/87/446370487.db2.gz LFBUPRSINDFJLM-QGZVFWFLSA-N 2 0 332.492 1.978 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000417833503 446375253 /nfs/dbraw/zinc/37/52/53/446375253.db2.gz RXCXIOUKBOITNI-INIZCTEOSA-N 2 0 328.526 1.455 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417909629 446383625 /nfs/dbraw/zinc/38/36/25/446383625.db2.gz KKDDXTLDUAKQOV-FVQBIDKESA-N 2 0 326.485 1.052 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)NCC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417914742 446384789 /nfs/dbraw/zinc/38/47/89/446384789.db2.gz AXFVAORMPZOQQV-RDJZCZTQSA-N 2 0 330.476 1.806 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[NH+](CC4CC4)CC3)n2)CC1 ZINC000365884848 446388157 /nfs/dbraw/zinc/38/81/57/446388157.db2.gz ONCFVFOABVFWST-UHFFFAOYSA-N 2 0 346.479 1.709 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC[NH2+]CC1 ZINC000417932170 446390405 /nfs/dbraw/zinc/39/04/05/446390405.db2.gz QJXWKVBMKYUZOB-MRXNPFEDSA-N 2 0 340.512 1.422 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000417935266 446390646 /nfs/dbraw/zinc/39/06/46/446390646.db2.gz GOLPQBSTMNZKBP-BDXSIMOUSA-N 2 0 328.460 1.683 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000370770628 446428391 /nfs/dbraw/zinc/42/83/91/446428391.db2.gz DRIRCCFCGUJNJE-SLPUSZQCSA-N 2 0 349.519 1.913 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418072562 446431173 /nfs/dbraw/zinc/43/11/73/446431173.db2.gz KRXMSHJTUUMVNV-WMZOPIPTSA-N 2 0 348.491 1.432 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000423125873 446432903 /nfs/dbraw/zinc/43/29/03/446432903.db2.gz IGXZYXMJDCVZGA-UHFFFAOYSA-N 2 0 340.512 1.010 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431790334 446433388 /nfs/dbraw/zinc/43/33/88/446433388.db2.gz XEMXFWNUDLUREC-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000370762863 446422282 /nfs/dbraw/zinc/42/22/82/446422282.db2.gz CEMZIRXZWYOSDN-AWEZNQCLSA-N 2 0 346.479 1.258 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000418046686 446424552 /nfs/dbraw/zinc/42/45/52/446424552.db2.gz HRCZPJVVQLHETH-ZDUSSCGKSA-N 2 0 336.867 1.701 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000418047248 446424602 /nfs/dbraw/zinc/42/46/02/446424602.db2.gz IRQICUSAFGPLQP-CQSZACIVSA-N 2 0 336.867 1.831 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423208728 446453987 /nfs/dbraw/zinc/45/39/87/446453987.db2.gz DNJQJMKVWNXGJO-JDFRZJQESA-N 2 0 337.489 1.689 20 0 EDADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420289345 446454519 /nfs/dbraw/zinc/45/45/19/446454519.db2.gz KCANCCWYWQDOEU-INIZCTEOSA-N 2 0 345.487 1.790 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000418189592 446454481 /nfs/dbraw/zinc/45/44/81/446454481.db2.gz HXMGJUREEZCUHY-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000452781677 446468039 /nfs/dbraw/zinc/46/80/39/446468039.db2.gz JDEOPQYRIJONFR-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2CC[NH2+]C2)CCC1 ZINC000418238529 446469729 /nfs/dbraw/zinc/46/97/29/446469729.db2.gz FZCPNFRXFCZPHP-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP CC(C)[NH+](CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)C(C)C ZINC000423296905 446475936 /nfs/dbraw/zinc/47/59/36/446475936.db2.gz HYMNJYHYCFYIJP-HNNXBMFYSA-N 2 0 335.496 1.736 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(COC)CC[NH2+]C2)cc1 ZINC000423300809 446477237 /nfs/dbraw/zinc/47/72/37/446477237.db2.gz FXITXJIVQJZPDH-IBGZPJMESA-N 2 0 349.475 1.972 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)c1cccc(OC)c1 ZINC000423309939 446482896 /nfs/dbraw/zinc/48/28/96/446482896.db2.gz MRIKSTHFNMUDGE-SUMDDJOVSA-N 2 0 331.460 1.946 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317191 446483494 /nfs/dbraw/zinc/48/34/94/446483494.db2.gz MPGFPCCJEQPVHL-ZWKOTPCHSA-N 2 0 333.476 1.534 20 0 EDADRP CCOC(=O)c1ccsc1NC(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000420317988 446484225 /nfs/dbraw/zinc/48/42/25/446484225.db2.gz VGXHYRXTWOILMA-LBPRGKRZSA-N 2 0 339.461 1.937 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCCCCC1 ZINC000432547327 446484499 /nfs/dbraw/zinc/48/44/99/446484499.db2.gz SXEKYHYHUBOVCJ-IAGOWNOFSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CCCO1 ZINC000376428620 446492135 /nfs/dbraw/zinc/49/21/35/446492135.db2.gz PKIHCSMDJHAABQ-IAGOWNOFSA-N 2 0 336.480 1.143 20 0 EDADRP [NH3+]CCCn1cc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)nn1 ZINC000423339052 446493979 /nfs/dbraw/zinc/49/39/79/446493979.db2.gz RXCDHRYOCUCCKJ-UHFFFAOYSA-N 2 0 342.447 1.153 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C1(C)C[NH2+]C1)[NH+]1CCCCC1 ZINC000423339050 446494822 /nfs/dbraw/zinc/49/48/22/446494822.db2.gz WIWKNTGLYURYKU-INIZCTEOSA-N 2 0 331.460 1.948 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000423367978 446503057 /nfs/dbraw/zinc/50/30/57/446503057.db2.gz RTVBUYKWUHNDSF-GJZGRUSLSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423372383 446504760 /nfs/dbraw/zinc/50/47/60/446504760.db2.gz GDUCIJJPVGASAN-KBPBESRZSA-N 2 0 331.464 1.623 20 0 EDADRP C[NH2+]CCN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000420338360 446508350 /nfs/dbraw/zinc/50/83/50/446508350.db2.gz OESCAYJIULLLON-MRXNPFEDSA-N 2 0 332.492 1.307 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343750 446515887 /nfs/dbraw/zinc/51/58/87/446515887.db2.gz RNGKVTDKOSIXKD-FJIDUMEYSA-N 2 0 337.508 1.629 20 0 EDADRP CCNC(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420329065 446496949 /nfs/dbraw/zinc/49/69/49/446496949.db2.gz GAHWJDSYTMSOPQ-IYBDPMFKSA-N 2 0 344.459 1.306 20 0 EDADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420330787 446500753 /nfs/dbraw/zinc/50/07/53/446500753.db2.gz LXAIKXFRCJOOOS-GRFXZRSHSA-N 2 0 337.508 1.898 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418480853 446559537 /nfs/dbraw/zinc/55/95/37/446559537.db2.gz CVNVCQOLYKCASP-GMXABZIVSA-N 2 0 326.391 1.304 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418493722 446565101 /nfs/dbraw/zinc/56/51/01/446565101.db2.gz WWRXQEOPTKTCSS-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP COc1cc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000420344664 446517588 /nfs/dbraw/zinc/51/75/88/446517588.db2.gz UOMOLHJPIFYQKI-LSDHHAIUSA-N 2 0 347.459 1.964 20 0 EDADRP O=C(COC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000423399732 446518661 /nfs/dbraw/zinc/51/86/61/446518661.db2.gz UWRDABTWCIXEHE-UHFFFAOYSA-N 2 0 349.500 1.943 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000418376060 446519918 /nfs/dbraw/zinc/51/99/18/446519918.db2.gz XZNGEVUDSZUIGJ-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP Cc1ccccc1CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348265 446522848 /nfs/dbraw/zinc/52/28/48/446522848.db2.gz KKVBUYVPNNBQTP-HKUYNNGSSA-N 2 0 344.503 1.022 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCc3ccc(OC)cc3CC2)CC1 ZINC000411407332 446525278 /nfs/dbraw/zinc/52/52/78/446525278.db2.gz IQYCJEMGQPGYFR-UHFFFAOYSA-N 2 0 345.487 1.696 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418397204 446527573 /nfs/dbraw/zinc/52/75/73/446527573.db2.gz DEADXWWFTCOXDU-FGTMMUONSA-N 2 0 330.476 1.743 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423421891 446528712 /nfs/dbraw/zinc/52/87/12/446528712.db2.gz BFFBSKZNOSMYPO-GOSISDBHSA-N 2 0 346.519 1.855 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)C[C@@H](C)O1 ZINC000423438873 446537607 /nfs/dbraw/zinc/53/76/07/446537607.db2.gz VOQUEIMJBCPYIM-RKVPGOIHSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C(C)(C)C)no1 ZINC000433154824 446538926 /nfs/dbraw/zinc/53/89/26/446538926.db2.gz CBCJVGUUVAZWJN-LBPRGKRZSA-N 2 0 337.468 1.748 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2cc(Br)ccc21 ZINC000423444532 446540339 /nfs/dbraw/zinc/54/03/39/446540339.db2.gz XRQLWBRUQLFMHZ-TUKIKUTGSA-N 2 0 325.250 1.996 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000375046420 446541034 /nfs/dbraw/zinc/54/10/34/446541034.db2.gz JZPMBIDNCRPXQW-OKZBNKHCSA-N 2 0 347.507 1.398 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2[C@H]2CNC(=O)C2)cc1 ZINC000420370582 446548532 /nfs/dbraw/zinc/54/85/32/446548532.db2.gz JPZKRHYOJMLUPI-NUJGCVRESA-N 2 0 331.460 1.728 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000418455033 446548937 /nfs/dbraw/zinc/54/89/37/446548937.db2.gz RHPLVZJPSGMNDQ-SFHVURJKSA-N 2 0 346.475 1.440 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000418463098 446553219 /nfs/dbraw/zinc/55/32/19/446553219.db2.gz KXBXFGRSPIKVOF-HZPDHXFCSA-N 2 0 328.501 1.646 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000418464348 446553757 /nfs/dbraw/zinc/55/37/57/446553757.db2.gz MCPPUHRJBSYONE-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C(C)C ZINC000420380906 446556790 /nfs/dbraw/zinc/55/67/90/446556790.db2.gz OPGRPVLVVVXYFX-FUHWJXTLSA-N 2 0 325.497 1.850 20 0 EDADRP CC(C)N(C)C(=O)CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000411587056 446617906 /nfs/dbraw/zinc/61/79/06/446617906.db2.gz WOTDXNIOUIBOTQ-MAUKXSAKSA-N 2 0 335.496 1.602 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000423634113 446617978 /nfs/dbraw/zinc/61/79/78/446617978.db2.gz MKZHXYQZBIRMFM-RBUKOAKNSA-N 2 0 344.503 1.403 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000411497064 446570790 /nfs/dbraw/zinc/57/07/90/446570790.db2.gz YQLSAXCZNZVBDQ-SFHVURJKSA-N 2 0 339.524 1.896 20 0 EDADRP O=C1N[C@@H]2C[N@H+](CCCc3ccsc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397245 446571569 /nfs/dbraw/zinc/57/15/69/446571569.db2.gz FKGOKZYQGUOWLA-IAGOWNOFSA-N 2 0 348.516 1.901 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418506553 446572149 /nfs/dbraw/zinc/57/21/49/446572149.db2.gz IRFSVDCDUNGMOG-UHFFFAOYSA-N 2 0 334.464 1.140 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000433464045 446576642 /nfs/dbraw/zinc/57/66/42/446576642.db2.gz UZTIHGWWWCGYBZ-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP COC[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000420405023 446578370 /nfs/dbraw/zinc/57/83/70/446578370.db2.gz MRWXWOVXPOUPRY-HNNXBMFYSA-N 2 0 327.375 1.064 20 0 EDADRP C[C@H]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529367 446581310 /nfs/dbraw/zinc/58/13/10/446581310.db2.gz TXLSHLNHTNROOI-WMZOPIPTSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418532430 446583595 /nfs/dbraw/zinc/58/35/95/446583595.db2.gz SVDVJZFUBXBUPF-RBSFLKMASA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418536773 446584929 /nfs/dbraw/zinc/58/49/29/446584929.db2.gz CFXJXPOJBKQPHA-OAGGEKHMSA-N 2 0 340.512 1.645 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000418549007 446589901 /nfs/dbraw/zinc/58/99/01/446589901.db2.gz DGBULQKMFMQHHH-AEFFLSMTSA-N 2 0 328.460 1.916 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418555387 446591973 /nfs/dbraw/zinc/59/19/73/446591973.db2.gz DOPYDYYDGXUUAX-XYPHTWIQSA-N 2 0 334.464 1.595 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000371041166 446592324 /nfs/dbraw/zinc/59/23/24/446592324.db2.gz DIGKEVZYIYKCQW-QGZVFWFLSA-N 2 0 340.512 1.328 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418556659 446593894 /nfs/dbraw/zinc/59/38/94/446593894.db2.gz PAYAHJFSKCCAMM-HOCLYGCPSA-N 2 0 326.485 1.127 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423595973 446595072 /nfs/dbraw/zinc/59/50/72/446595072.db2.gz QWBFWQMATNLYND-CVEARBPZSA-N 2 0 347.459 1.448 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418600119 446609374 /nfs/dbraw/zinc/60/93/74/446609374.db2.gz KIWDBTUFPDSIIZ-NJAFHUGGSA-N 2 0 348.491 1.167 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000368113867 446649329 /nfs/dbraw/zinc/64/93/29/446649329.db2.gz UOLTXCRSOIXOIA-UKRRQHHQSA-N 2 0 328.420 1.503 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000423719030 446658366 /nfs/dbraw/zinc/65/83/66/446658366.db2.gz DVMFECBHPJVFDS-IBGZPJMESA-N 2 0 331.460 1.098 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000418754915 446673979 /nfs/dbraw/zinc/67/39/79/446673979.db2.gz IBUYOJPLYMJXPJ-UONOGXRCSA-N 2 0 330.423 1.357 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)NC[C@@H](C)[NH2+]C)[C@H](C)C1 ZINC000418627074 446620935 /nfs/dbraw/zinc/62/09/35/446620935.db2.gz MRHNNJWRWFKFOS-HZPDHXFCSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC000368083681 446631042 /nfs/dbraw/zinc/63/10/42/446631042.db2.gz OGXGWXPAMMRNAV-CRAIPNDOSA-N 2 0 335.496 1.793 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000418649434 446631873 /nfs/dbraw/zinc/63/18/73/446631873.db2.gz JCXJBOCCKMGAMY-ZTFGCOKTSA-N 2 0 348.491 1.345 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418769515 446687993 /nfs/dbraw/zinc/68/79/93/446687993.db2.gz RVJLWQVNOZELBV-CQSZACIVSA-N 2 0 348.438 1.126 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000423877975 446738317 /nfs/dbraw/zinc/73/83/17/446738317.db2.gz DKEWBNKXUVMPRG-IRXDYDNUSA-N 2 0 335.448 1.312 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418807941 446714233 /nfs/dbraw/zinc/71/42/33/446714233.db2.gz ZRAMWNRXMRBOJI-KZNAEPCWSA-N 2 0 330.476 1.935 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)c1ccccc1CC1CC[NH2+]CC1 ZINC000423827157 446716612 /nfs/dbraw/zinc/71/66/12/446716612.db2.gz NHDZSAPSFVFEKA-UHFFFAOYSA-N 2 0 345.487 1.681 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423833946 446723281 /nfs/dbraw/zinc/72/32/81/446723281.db2.gz GHNZCTOKDUFBIE-WBVHZDCISA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[N@@H+]1Cc1ccccc1 ZINC000423894194 446748896 /nfs/dbraw/zinc/74/88/96/446748896.db2.gz DRMLTUIBQHWARM-AITUJVMLSA-N 2 0 345.487 1.910 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423897095 446750508 /nfs/dbraw/zinc/75/05/08/446750508.db2.gz HCRWUCBHMLPEOK-JQHSSLGASA-N 2 0 333.476 1.767 20 0 EDADRP OC[C@@H]1CCCC[NH+](CC2(C[N@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876124 446771377 /nfs/dbraw/zinc/77/13/77/446771377.db2.gz LXMSEJDHKPAUES-HDICACEKSA-N 2 0 340.508 1.192 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000423927301 446778234 /nfs/dbraw/zinc/77/82/34/446778234.db2.gz FTGLXFOHRSVPJC-MUQADHOPSA-N 2 0 347.507 1.779 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371342052 446790888 /nfs/dbraw/zinc/79/08/88/446790888.db2.gz UKRUMWGAMVPTAD-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368329041 446790876 /nfs/dbraw/zinc/79/08/76/446790876.db2.gz BSYCBAPFAWHOJG-GOSISDBHSA-N 2 0 341.540 1.369 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000423990031 446810179 /nfs/dbraw/zinc/81/01/79/446810179.db2.gz JIZGEWVWOBZWIS-KRWDZBQOSA-N 2 0 335.448 1.125 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000418942910 446815997 /nfs/dbraw/zinc/81/59/97/446815997.db2.gz YJZRPJXSNLFTGG-JKSUJKDBSA-N 2 0 338.496 1.002 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000420835562 446850866 /nfs/dbraw/zinc/85/08/66/446850866.db2.gz GMTNXLPMCSAEGO-MRXNPFEDSA-N 2 0 349.479 1.258 20 0 EDADRP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN2CCCC2=O)[C@H]1c1ccccc1 ZINC000375486739 446839408 /nfs/dbraw/zinc/83/94/08/446839408.db2.gz YNTORQMDQBWUBE-WSTZPKSXSA-N 2 0 345.487 1.642 20 0 EDADRP C[N@H+](CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000368420457 446852545 /nfs/dbraw/zinc/85/25/45/446852545.db2.gz UWMYFTAHIZLWND-FUHIMQAGSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000419007990 446861392 /nfs/dbraw/zinc/86/13/92/446861392.db2.gz YRLJXXYAWOZDEY-RHSMWYFYSA-N 2 0 346.475 1.093 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000371507763 446901543 /nfs/dbraw/zinc/90/15/43/446901543.db2.gz DBIBBRFLKXQQST-HKUYNNGSSA-N 2 0 342.487 1.780 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412208313 446898031 /nfs/dbraw/zinc/89/80/31/446898031.db2.gz ORHHNCHQTHIPKT-IBGZPJMESA-N 2 0 333.476 1.715 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509082 446909418 /nfs/dbraw/zinc/90/94/18/446909418.db2.gz XLFIHCHEBMQLCD-RBUKOAKNSA-N 2 0 338.540 1.198 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000419097262 446921900 /nfs/dbraw/zinc/92/19/00/446921900.db2.gz DMCZABNPOQSISF-OWCLPIDISA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000419115238 446933916 /nfs/dbraw/zinc/93/39/16/446933916.db2.gz SSYCKMYYBHOXEK-NVXWUHKLSA-N 2 0 348.491 1.113 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@H](C)O1 ZINC000368572199 446950780 /nfs/dbraw/zinc/95/07/80/446950780.db2.gz JUPTVGCBZXIFIA-HLLBOEOZSA-N 2 0 343.537 1.429 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)C(C)(C)C ZINC000419141288 446953235 /nfs/dbraw/zinc/95/32/35/446953235.db2.gz WOGNBXXHCBOYGH-CQSZACIVSA-N 2 0 340.512 1.247 20 0 EDADRP COCC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000375663875 446959342 /nfs/dbraw/zinc/95/93/42/446959342.db2.gz LDJUZHUYZJXLDW-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C1 ZINC000443060192 447002713 /nfs/dbraw/zinc/00/27/13/447002713.db2.gz OLYXXQOPXPJNBO-CQSZACIVSA-N 2 0 344.459 1.578 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000419269750 447046060 /nfs/dbraw/zinc/04/60/60/447046060.db2.gz PHHOONHZCZVBBP-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP Cc1nccn1CCCN(C)c1cc(N2CC[C@H]([C@H](C)O)C2)ncn1 ZINC000413210866 447069999 /nfs/dbraw/zinc/06/99/99/447069999.db2.gz WMWBDJHZWQTFKL-HOCLYGCPSA-N 2 0 344.463 1.715 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419243489 447028050 /nfs/dbraw/zinc/02/80/50/447028050.db2.gz UHGDWYOATIOYBO-ZBFHGGJFSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000375854909 447102395 /nfs/dbraw/zinc/10/23/95/447102395.db2.gz XAQJNVYAXNHWES-JKSUJKDBSA-N 2 0 341.496 1.942 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCC[N@H+](C)CCN(C)C ZINC000377443093 447135836 /nfs/dbraw/zinc/13/58/36/447135836.db2.gz QLQRDOHWRSUFPK-ROUUACIJSA-N 2 0 325.545 1.275 20 0 EDADRP CC[C@H]1CN(Cc2cnc(N3CCN(C)CC3)nc2)C[C@H](CC)O1 ZINC000421399074 447150887 /nfs/dbraw/zinc/15/08/87/447150887.db2.gz ZQLIEHDDGWVXAX-IRXDYDNUSA-N 2 0 333.480 1.618 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889931 447126016 /nfs/dbraw/zinc/12/60/16/447126016.db2.gz LUMFEBIDGKAYOH-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000372587979 447166494 /nfs/dbraw/zinc/16/64/94/447166494.db2.gz XLPMYOUXBKYEGW-AWEZNQCLSA-N 2 0 347.463 1.212 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455656140 447199600 /nfs/dbraw/zinc/19/96/00/447199600.db2.gz JWXLETUGKXUXAX-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000377559200 447205544 /nfs/dbraw/zinc/20/55/44/447205544.db2.gz AKMNLFUQSWDUPF-RHSMWYFYSA-N 2 0 345.491 1.939 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000377566532 447209178 /nfs/dbraw/zinc/20/91/78/447209178.db2.gz VFNVUUJYJWBSTC-BURFUSLBSA-N 2 0 330.476 1.796 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCCS(N)(=O)=O ZINC000372686317 447222880 /nfs/dbraw/zinc/22/28/80/447222880.db2.gz WUSTYKNBQRAAAM-NVXWUHKLSA-N 2 0 339.505 1.507 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550840 447225822 /nfs/dbraw/zinc/22/58/22/447225822.db2.gz IVNIESUZAWVNIK-AEFFLSMTSA-N 2 0 349.519 1.820 20 0 EDADRP CC1(OCC(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C[NH2+]C1 ZINC000379654942 447453765 /nfs/dbraw/zinc/45/37/65/447453765.db2.gz KHUOTBKQZXAIAW-QGZVFWFLSA-N 2 0 331.460 1.536 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450365423 447468166 /nfs/dbraw/zinc/46/81/66/447468166.db2.gz OIPCQUSCRZWXOT-CYBMUJFWSA-N 2 0 348.413 1.970 20 0 EDADRP COC[C@]1(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488631 447478492 /nfs/dbraw/zinc/47/84/92/447478492.db2.gz LUHDKSUETPILQT-QUCCMNQESA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[NH2+]CCOC)c2)CC1 ZINC000415495636 447478441 /nfs/dbraw/zinc/47/84/41/447478441.db2.gz JLCZKBBAAVQECQ-UHFFFAOYSA-N 2 0 349.479 1.186 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458814835 447481540 /nfs/dbraw/zinc/48/15/40/447481540.db2.gz NNCFRKMWRHDTQY-JKSUJKDBSA-N 2 0 328.501 1.253 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000426648932 447486231 /nfs/dbraw/zinc/48/62/31/447486231.db2.gz UWNRXPHXUIVBJE-QGZVFWFLSA-N 2 0 337.508 1.679 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415516351 447491969 /nfs/dbraw/zinc/49/19/69/447491969.db2.gz FUTYJJNMRGSUID-IIYDPXPESA-N 2 0 344.459 1.370 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656279 447496436 /nfs/dbraw/zinc/49/64/36/447496436.db2.gz WMFCUKWGFMRDLC-OAGGEKHMSA-N 2 0 341.496 1.942 20 0 EDADRP C[C@H](O)CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000450466001 447498747 /nfs/dbraw/zinc/49/87/47/447498747.db2.gz FIXREZASPUIZPU-KRWDZBQOSA-N 2 0 347.503 1.718 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415482364 447470852 /nfs/dbraw/zinc/47/08/52/447470852.db2.gz FELZYTYSCXTONO-INIZCTEOSA-N 2 0 348.491 1.561 20 0 EDADRP C[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000426569289 447473374 /nfs/dbraw/zinc/47/33/74/447473374.db2.gz YTVOYGNWJJZKRR-IAGOWNOFSA-N 2 0 338.496 1.005 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458767959 447474669 /nfs/dbraw/zinc/47/46/69/447474669.db2.gz IWPYAXPTCFRDAI-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)cc1 ZINC000401157164 447575961 /nfs/dbraw/zinc/57/59/61/447575961.db2.gz YRWNEIQNCCYHSC-VNTMZGSJSA-N 2 0 329.488 1.865 20 0 EDADRP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401157163 447576086 /nfs/dbraw/zinc/57/60/86/447576086.db2.gz YRWNEIQNCCYHSC-UAFMIMERSA-N 2 0 329.488 1.865 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203730 447535717 /nfs/dbraw/zinc/53/57/17/447535717.db2.gz YRSCKRCMNYFROR-HKUYNNGSSA-N 2 0 327.472 1.987 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000416826973 447692133 /nfs/dbraw/zinc/69/21/33/447692133.db2.gz CIIABPCQKLLZLQ-BPQIPLTHSA-N 2 0 332.492 1.786 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000416827902 447692698 /nfs/dbraw/zinc/69/26/98/447692698.db2.gz DGWPCZXZUABRIP-MSOLQXFVSA-N 2 0 332.492 1.991 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000416853362 447696790 /nfs/dbraw/zinc/69/67/90/447696790.db2.gz UDRDIYXVNVXIDC-GJZGRUSLSA-N 2 0 340.418 1.456 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc(F)c1 ZINC000422586406 447654913 /nfs/dbraw/zinc/65/49/13/447654913.db2.gz BTQBZGLNQIGQHQ-INIZCTEOSA-N 2 0 334.439 1.966 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@H](C)C1 ZINC000422590616 447659805 /nfs/dbraw/zinc/65/98/05/447659805.db2.gz ASVRTEXOYSKXCD-HUUCEWRRSA-N 2 0 328.501 1.550 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416939114 447716385 /nfs/dbraw/zinc/71/63/85/447716385.db2.gz GWVUKORTZUFXLH-IJEWVQPXSA-N 2 0 326.485 1.302 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000416942355 447718523 /nfs/dbraw/zinc/71/85/23/447718523.db2.gz KVLNWIAGDVJOBZ-QXSJWSMHSA-N 2 0 326.485 1.173 20 0 EDADRP CC[N@H+](CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C1CC1 ZINC000458197325 447742471 /nfs/dbraw/zinc/74/24/71/447742471.db2.gz NVXDAYXLQSEOJN-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])cc1OC ZINC000422829315 447762860 /nfs/dbraw/zinc/76/28/60/447762860.db2.gz BSOMAUUQNSZWGS-NWANDNLSSA-N 2 0 338.448 1.944 20 0 EDADRP C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422914875 447771389 /nfs/dbraw/zinc/77/13/89/447771389.db2.gz WICIQQCVNUWTIN-PKOBYXMFSA-N 2 0 344.503 1.846 20 0 EDADRP CCOC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000496635931 447837725 /nfs/dbraw/zinc/83/77/25/447837725.db2.gz HUZREQOXMMWBBI-VXGBXAGGSA-N 2 0 339.440 1.610 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000496635930 447837824 /nfs/dbraw/zinc/83/78/24/447837824.db2.gz HUZREQOXMMWBBI-RYUDHWBXSA-N 2 0 339.440 1.610 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000488567417 447848775 /nfs/dbraw/zinc/84/87/75/447848775.db2.gz WKXDDWVFCDJNFO-HBUWYVDXSA-N 2 0 339.480 1.106 20 0 EDADRP CN(C[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704578 447852399 /nfs/dbraw/zinc/85/23/99/447852399.db2.gz YTXQLEVNFRSMPK-JKSUJKDBSA-N 2 0 341.496 1.632 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000569741173 447881129 /nfs/dbraw/zinc/88/11/29/447881129.db2.gz ZLEUIUKLCWSQGU-VNQPRFMTSA-N 2 0 325.522 1.803 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000523649098 447895647 /nfs/dbraw/zinc/89/56/47/447895647.db2.gz OPSCXDGAOBAKRS-HZPDHXFCSA-N 2 0 339.480 1.204 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000575997410 447948437 /nfs/dbraw/zinc/94/84/37/447948437.db2.gz VPZCJHRJASCWKB-INIZCTEOSA-N 2 0 348.495 1.640 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)N1CC(C)C1 ZINC000552844477 447960138 /nfs/dbraw/zinc/96/01/38/447960138.db2.gz XXYOREBRHRBYEN-WMZOPIPTSA-N 2 0 331.460 1.344 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)n1 ZINC000525228353 447980437 /nfs/dbraw/zinc/98/04/37/447980437.db2.gz QNXFACOVYDPFKC-INIZCTEOSA-N 2 0 348.495 1.927 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H](F)C1 ZINC000570335555 447989336 /nfs/dbraw/zinc/98/93/36/447989336.db2.gz AUNPLDIEOHRCHO-MRXNPFEDSA-N 2 0 349.454 1.737 20 0 EDADRP C[C@@H]1C[C@H]([N@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216975 447970395 /nfs/dbraw/zinc/97/03/95/447970395.db2.gz YHIHZENSBCKRBR-HUUCEWRRSA-N 2 0 329.485 1.942 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(F)cc1 ZINC000576611148 448098111 /nfs/dbraw/zinc/09/81/11/448098111.db2.gz RVQSHVQWKQSIOF-CVEARBPZSA-N 2 0 338.427 1.106 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000571059478 448102932 /nfs/dbraw/zinc/10/29/32/448102932.db2.gz HJECUPRRCYWZGR-JKSUJKDBSA-N 2 0 339.528 1.171 20 0 EDADRP CN1CCN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000570784851 448063506 /nfs/dbraw/zinc/06/35/06/448063506.db2.gz ZBWOMJJXMLPNSH-HZPDHXFCSA-N 2 0 349.479 1.091 20 0 EDADRP C[C@@H](NC(=O)c1ccc([C@H](C)[NH3+])cc1)C(=O)NCC[NH+]1CCCCC1 ZINC000571163570 448114692 /nfs/dbraw/zinc/11/46/92/448114692.db2.gz ZQSQYZSYENGHCS-LSDHHAIUSA-N 2 0 346.475 1.427 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000571404748 448148072 /nfs/dbraw/zinc/14/80/72/448148072.db2.gz PRVLEDHVHTURET-HMQMGEFJSA-N 2 0 338.496 1.004 20 0 EDADRP Cc1cc(=O)[nH]c2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc12 ZINC000514756358 448199199 /nfs/dbraw/zinc/19/91/99/448199199.db2.gz ZKZCJWPVCORULC-UHFFFAOYSA-N 2 0 344.459 1.814 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000527119718 448164156 /nfs/dbraw/zinc/16/41/56/448164156.db2.gz OCDOHSJRCQOSAH-SFHVURJKSA-N 2 0 346.475 1.132 20 0 EDADRP Cc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2n[nH]cc21 ZINC000527125900 448164618 /nfs/dbraw/zinc/16/46/18/448164618.db2.gz UDOBLRRTHUHPDJ-UHFFFAOYSA-N 2 0 332.452 1.828 20 0 EDADRP CN1CCN(CC[NH2+]CCS(=O)(=O)c2ccccc2)CC1(C)C ZINC000577275783 448254310 /nfs/dbraw/zinc/25/43/10/448254310.db2.gz NHJKBLVSFOIOFE-UHFFFAOYSA-N 2 0 339.505 1.076 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000577286348 448258234 /nfs/dbraw/zinc/25/82/34/448258234.db2.gz LRJDGRVHYMJQAA-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP NC(=O)N1CCC([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000532487289 448264041 /nfs/dbraw/zinc/26/40/41/448264041.db2.gz SRHRWNPKEUWRSI-QGZVFWFLSA-N 2 0 330.476 1.684 20 0 EDADRP NC(=O)N1CCC([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000532487288 448264473 /nfs/dbraw/zinc/26/44/73/448264473.db2.gz SRHRWNPKEUWRSI-KRWDZBQOSA-N 2 0 330.476 1.684 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000582653531 448300162 /nfs/dbraw/zinc/30/01/62/448300162.db2.gz PDDKVVLJOHNJRL-LJQANCHMSA-N 2 0 345.491 1.996 20 0 EDADRP COc1ccc(CN2CC[C@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000527798656 448364149 /nfs/dbraw/zinc/36/41/49/448364149.db2.gz RCBYXFPLVMVIDF-IRXDYDNUSA-N 2 0 346.475 1.663 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000591456235 448370375 /nfs/dbraw/zinc/37/03/75/448370375.db2.gz GYXMGFAICWUJJR-MSOLQXFVSA-N 2 0 330.476 1.043 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC(O)(CC)CC2)CC[NH2+]CC1 ZINC000591570924 448393402 /nfs/dbraw/zinc/39/34/02/448393402.db2.gz BZPUOGCXNWWPDT-HPUBIQBYSA-N 2 0 326.481 1.981 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOC[C@@H]1C ZINC000591573247 448394120 /nfs/dbraw/zinc/39/41/20/448394120.db2.gz ODPLIBFGFAYKLS-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000527952857 448396893 /nfs/dbraw/zinc/39/68/93/448396893.db2.gz VGLFPVGXFLNFMY-LJQANCHMSA-N 2 0 339.524 1.455 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)c1 ZINC000566162930 448400778 /nfs/dbraw/zinc/40/07/78/448400778.db2.gz NHVWZOAXJGMTMB-QAPCUYQASA-N 2 0 349.475 1.258 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)c1 ZINC000566162931 448400914 /nfs/dbraw/zinc/40/09/14/448400914.db2.gz NHVWZOAXJGMTMB-YJBOKZPZSA-N 2 0 349.475 1.258 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000577963015 448427908 /nfs/dbraw/zinc/42/79/08/448427908.db2.gz MBUGKBNQUXVAMN-GOSISDBHSA-N 2 0 333.476 1.367 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)CC[C@@H]21 ZINC000577995825 448433781 /nfs/dbraw/zinc/43/37/81/448433781.db2.gz AXZQRXNTYCWWBJ-YOEHRIQHSA-N 2 0 342.443 1.171 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCC(CC[NH3+])CC3)C2=O)c1 ZINC000566355702 448453797 /nfs/dbraw/zinc/45/37/97/448453797.db2.gz IKQYXGRJYZCGNM-GOSISDBHSA-N 2 0 347.459 1.870 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000516644657 448454097 /nfs/dbraw/zinc/45/40/97/448454097.db2.gz BZVIWGPTDUPCET-JKSUJKDBSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000516653807 448457991 /nfs/dbraw/zinc/45/79/91/448457991.db2.gz WPFREIDWHHXPFZ-QFBILLFUSA-N 2 0 344.503 1.438 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000578204074 448485079 /nfs/dbraw/zinc/48/50/79/448485079.db2.gz HZPBENDWPFPWMV-IAGOWNOFSA-N 2 0 339.524 1.850 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000572930036 448496813 /nfs/dbraw/zinc/49/68/13/448496813.db2.gz TXFWQTGBRFAMTC-BCDXTJNWSA-N 2 0 347.507 1.924 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000584459281 448533470 /nfs/dbraw/zinc/53/34/70/448533470.db2.gz UDGHXEULPIMUPW-CRAIPNDOSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C[C@H](C)O1 ZINC000566673464 448534779 /nfs/dbraw/zinc/53/47/79/448534779.db2.gz NIAXYRNYEKIFQQ-YYIAUSFCSA-N 2 0 329.529 1.413 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000517140098 448542876 /nfs/dbraw/zinc/54/28/76/448542876.db2.gz CPXHXCYJWFXXDR-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000566729382 448545531 /nfs/dbraw/zinc/54/55/31/448545531.db2.gz KHRGFKGIROALAV-NUEKZKHPSA-N 2 0 349.479 1.358 20 0 EDADRP Cc1cc(NC(=O)NCC2=CC[N@H+](C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000537249946 448553913 /nfs/dbraw/zinc/55/39/13/448553913.db2.gz VRPULQPIQSMIAB-UHFFFAOYSA-N 2 0 346.479 1.842 20 0 EDADRP CC(C)Oc1ccc2[nH+]ccc(N3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)c2c1 ZINC000578668430 448608120 /nfs/dbraw/zinc/60/81/20/448608120.db2.gz BISHYFROYSMHSN-CZUORRHYSA-N 2 0 340.427 1.770 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000567102455 448614115 /nfs/dbraw/zinc/61/41/15/448614115.db2.gz BJMHBPYEWZFPSI-NQYYFHDYSA-N 2 0 345.487 1.562 20 0 EDADRP O[C@H](C[NH2+]C[C@@H](O)Cc1ccccc1)CN1CCc2ccccc2C1 ZINC000567110588 448616195 /nfs/dbraw/zinc/61/61/95/448616195.db2.gz NLKOMTOVLTYYEL-LEWJYISDSA-N 2 0 340.467 1.599 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528723837 448646457 /nfs/dbraw/zinc/64/64/57/448646457.db2.gz XNUQYBOCIVHZEC-UHFFFAOYSA-N 2 0 348.447 1.089 20 0 EDADRP CO[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000584834442 448648215 /nfs/dbraw/zinc/64/82/15/448648215.db2.gz ORQOSLZXHLWKQQ-DLBZAZTESA-N 2 0 341.883 1.225 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000518341840 448666112 /nfs/dbraw/zinc/66/61/12/448666112.db2.gz NGCKPFMHTFSQEC-INIZCTEOSA-N 2 0 332.448 1.973 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000528680742 448627137 /nfs/dbraw/zinc/62/71/37/448627137.db2.gz HLQQCZSIDMHKBD-INIZCTEOSA-N 2 0 347.463 1.309 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2N[C@H]2CCC[NH2+]CC2)C1 ZINC000518491541 448684471 /nfs/dbraw/zinc/68/44/71/448684471.db2.gz NXNIRDNRSYUOBE-SJORKVTESA-N 2 0 330.476 1.938 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000567795252 448763908 /nfs/dbraw/zinc/76/39/08/448763908.db2.gz HQMJAIBWILAJNQ-GJZGRUSLSA-N 2 0 334.468 1.024 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529282993 448806482 /nfs/dbraw/zinc/80/64/82/448806482.db2.gz NYAZKUYSIJSEAV-QZTJIDSGSA-N 2 0 330.476 1.900 20 0 EDADRP CCOC(=O)CC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000579345833 448771532 /nfs/dbraw/zinc/77/15/32/448771532.db2.gz QALYUYBCWCZKBC-UXLLHSPISA-N 2 0 326.481 1.933 20 0 EDADRP C([NH2+][C@@H]1CCO[C@H]1C1CC1)C1(C[NH2+][C@H]2CCO[C@@H]2C2CC2)COC1 ZINC000519577661 448789266 /nfs/dbraw/zinc/78/92/66/448789266.db2.gz JHFRREPALRMVSZ-FZDBZEDMSA-N 2 0 336.476 1.317 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)ccn1 ZINC000529322368 448823613 /nfs/dbraw/zinc/82/36/13/448823613.db2.gz POWQWNNHILXUPD-OAHLLOKOSA-N 2 0 347.463 1.106 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000568151576 448823933 /nfs/dbraw/zinc/82/39/33/448823933.db2.gz FSVQVIFEHANNGT-GOSISDBHSA-N 2 0 344.503 1.430 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3COCC[NH2+]3)C2)CC1 ZINC000529372437 448845743 /nfs/dbraw/zinc/84/57/43/448845743.db2.gz ADTLSLJBCXQITH-DLBZAZTESA-N 2 0 338.496 1.128 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1ccccc1 ZINC000519767974 448839679 /nfs/dbraw/zinc/83/96/79/448839679.db2.gz JYKIOPOXRNBCTR-SOUVJXGZSA-N 2 0 325.416 1.054 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529375575 448848073 /nfs/dbraw/zinc/84/80/73/448848073.db2.gz OLBBRCHCDWVSHG-ROUUACIJSA-N 2 0 346.475 1.138 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529374928 448848283 /nfs/dbraw/zinc/84/82/83/448848283.db2.gz PICTVINKJONYGD-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687242 448851964 /nfs/dbraw/zinc/85/19/64/448851964.db2.gz KDEXQMYTYSHHCR-RBUKOAKNSA-N 3 0 344.503 1.616 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000568513323 448883924 /nfs/dbraw/zinc/88/39/24/448883924.db2.gz ZKQYQMVGEVXDGR-NONVJHHQSA-N 2 0 329.444 1.827 20 0 EDADRP C[N@@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1(C)C ZINC000568652339 448903483 /nfs/dbraw/zinc/90/34/83/448903483.db2.gz PQWFOUOEQOXLTH-OAHLLOKOSA-N 2 0 325.522 1.757 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2[nH]cnc2C1)Cc1ccccc1 ZINC000520676753 448920411 /nfs/dbraw/zinc/92/04/11/448920411.db2.gz XNQALYBLQCLIQE-HOTGVXAUSA-N 2 0 341.459 1.739 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[N@@H+]1C1CC1 ZINC000568856251 448926913 /nfs/dbraw/zinc/92/69/13/448926913.db2.gz PDVAOSMKFUVGEE-RBSFLKMASA-N 2 0 336.480 1.009 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000568864704 448929981 /nfs/dbraw/zinc/92/99/81/448929981.db2.gz IVJOMYBXYCMKLR-KRWDZBQOSA-N 2 0 333.480 1.566 20 0 EDADRP C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000574683614 448931871 /nfs/dbraw/zinc/93/18/71/448931871.db2.gz UUPDJOZZHCVTGH-HUUCEWRRSA-N 2 0 336.480 1.609 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)c21 ZINC000592552803 448894860 /nfs/dbraw/zinc/89/48/60/448894860.db2.gz ZBBKLHMEXRJOOY-HUUCEWRRSA-N 2 0 331.464 1.181 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC2CCCC2)(N2CCOCC2)CC1 ZINC000574869680 448973879 /nfs/dbraw/zinc/97/38/79/448973879.db2.gz YREYYKYESHAQQS-GOSISDBHSA-N 2 0 339.524 1.314 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000574735768 448943025 /nfs/dbraw/zinc/94/30/25/448943025.db2.gz FAPSVYVZTSMMJA-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238006 449090642 /nfs/dbraw/zinc/09/06/42/449090642.db2.gz ILVRJCDBJFLAHV-BPQIPLTHSA-N 2 0 337.508 1.772 20 0 EDADRP O=c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2sccn21 ZINC000530237876 449090903 /nfs/dbraw/zinc/09/09/03/449090903.db2.gz GDVOACSTAQKNJR-HNNXBMFYSA-N 2 0 348.472 1.347 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241485 449092666 /nfs/dbraw/zinc/09/26/66/449092666.db2.gz QHNQBGLJRWBDFB-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945318 449272111 /nfs/dbraw/zinc/27/21/11/449272111.db2.gz LHQKAPJMZNLIPP-IAGOWNOFSA-N 2 0 335.517 1.842 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000595904815 449244569 /nfs/dbraw/zinc/24/45/69/449244569.db2.gz LNLJONLUGKYGKS-GDBMZVCRSA-N 2 0 338.496 1.984 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+]4CCC[C@H]4C3)CC2)C1 ZINC000604640299 449267251 /nfs/dbraw/zinc/26/72/51/449267251.db2.gz YATBNVWJMOYRMC-BZSNNMDCSA-N 2 0 349.523 1.035 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945818 449271500 /nfs/dbraw/zinc/27/15/00/449271500.db2.gz OOJICILKVAUYLT-DLBZAZTESA-N 2 0 347.459 1.042 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602019372 449278307 /nfs/dbraw/zinc/27/83/07/449278307.db2.gz FMFZUTFZVXICAC-UHFFFAOYSA-N 2 0 336.480 1.317 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)[C@@H]1C ZINC000602020501 449279921 /nfs/dbraw/zinc/27/99/21/449279921.db2.gz KNWSDDFMVYJGQQ-IJEWVQPXSA-N 2 0 332.448 1.881 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000593913704 449281296 /nfs/dbraw/zinc/28/12/96/449281296.db2.gz YMDLGMKKNUTJJY-MSOLQXFVSA-N 2 0 346.475 1.131 20 0 EDADRP COC(=O)[C@H]1CCCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000611574924 449342745 /nfs/dbraw/zinc/34/27/45/449342745.db2.gz KODDDXLHDWVOKG-MRXNPFEDSA-N 2 0 337.464 1.147 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000598666193 449528975 /nfs/dbraw/zinc/52/89/75/449528975.db2.gz VPQFEKXXPRZXHE-ZWKOTPCHSA-N 2 0 336.524 1.393 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)oc1C ZINC000600772973 449541813 /nfs/dbraw/zinc/54/18/13/449541813.db2.gz LMGGWOJRPOWWRQ-HNNXBMFYSA-N 2 0 336.432 1.965 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606659095 449499703 /nfs/dbraw/zinc/49/97/03/449499703.db2.gz MVDULXPEOGWONZ-CQSZACIVSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NCC34CCC[NH+]3CCC4)n2)CC1 ZINC000614226216 449514276 /nfs/dbraw/zinc/51/42/76/449514276.db2.gz NAGPVKGQFPFFLW-UHFFFAOYSA-N 2 0 343.475 1.192 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607241584 449589310 /nfs/dbraw/zinc/58/93/10/449589310.db2.gz HJZBGYICYXPDOC-IRXDYDNUSA-N 3 0 341.544 1.384 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000608013250 449724178 /nfs/dbraw/zinc/72/41/78/449724178.db2.gz YJNDVRNMWLLALJ-IBGZPJMESA-N 2 0 344.503 1.433 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617698905 449742297 /nfs/dbraw/zinc/74/22/97/449742297.db2.gz AOEFHMRCHNKLJF-MOPGFXCFSA-N 2 0 345.487 1.744 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608358798 449817595 /nfs/dbraw/zinc/81/75/95/449817595.db2.gz VYNGORPVAUDRQK-IRXDYDNUSA-N 2 0 325.497 1.769 20 0 EDADRP CCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@@H]1CC[N@H+](CC)C1 ZINC000617927124 449924620 /nfs/dbraw/zinc/92/46/20/449924620.db2.gz QIVUNIMZJBFWKZ-MRXNPFEDSA-N 2 0 345.491 1.390 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970940 449963833 /nfs/dbraw/zinc/96/38/33/449963833.db2.gz QZQFUDSNDZPCNJ-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000612975864 449967120 /nfs/dbraw/zinc/96/71/20/449967120.db2.gz OPLIPJAVIPIGIR-ULQDDVLXSA-N 2 0 328.460 1.873 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000612995336 449976228 /nfs/dbraw/zinc/97/62/28/449976228.db2.gz LFBMECGCXRQPJM-ULQDDVLXSA-N 2 0 346.450 1.713 20 0 EDADRP C[NH+](C)C1(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000613258584 450105597 /nfs/dbraw/zinc/10/55/97/450105597.db2.gz XLIUWYDOYBJWMU-UHFFFAOYSA-N 2 0 345.487 1.914 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000620482923 450501494 /nfs/dbraw/zinc/50/14/94/450501494.db2.gz VJFGYGSZLOXHQR-SFHVURJKSA-N 2 0 331.460 1.419 20 0 EDADRP C[NH+](C)C[C@@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000627275054 450614910 /nfs/dbraw/zinc/61/49/10/450614910.db2.gz BXPZQOMTVKAPES-GBESFXJTSA-N 2 0 345.487 1.183 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635071833 450623222 /nfs/dbraw/zinc/62/32/22/450623222.db2.gz YAIILKBGQCJFJB-RTBURBONSA-N 2 0 343.471 1.630 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000633092120 450677023 /nfs/dbraw/zinc/67/70/23/450677023.db2.gz MVLNOQMDWAAUEC-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC1(C[NH3+])CCCCC1 ZINC000633048773 450646504 /nfs/dbraw/zinc/64/65/04/450646504.db2.gz CTQZBYZIDWLXGB-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C2(N3CCOCC3)CC2)C1 ZINC000631543977 450647019 /nfs/dbraw/zinc/64/70/19/450647019.db2.gz OMNHABLQRSPITF-GOSISDBHSA-N 2 0 343.471 1.584 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631677102 450708674 /nfs/dbraw/zinc/70/86/74/450708674.db2.gz PMESQVUHICZNPG-INIZCTEOSA-N 2 0 331.526 1.656 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114177 450710245 /nfs/dbraw/zinc/71/02/45/450710245.db2.gz VNHJTRHKAKDAEG-OAHLLOKOSA-N 2 0 329.452 1.167 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCN1C1CCC1 ZINC000629555831 450733610 /nfs/dbraw/zinc/73/36/10/450733610.db2.gz FYFDFXOXQKGMIL-HLIPFELVSA-N 2 0 341.455 1.985 20 0 EDADRP CCN(CC[NH3+])[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000629556696 450734506 /nfs/dbraw/zinc/73/45/06/450734506.db2.gz OOJCVDSPTLDVCY-INIZCTEOSA-N 2 0 332.492 1.436 20 0 EDADRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000629580288 450748146 /nfs/dbraw/zinc/74/81/46/450748146.db2.gz WCTFKQBACHDSSH-UHFFFAOYSA-N 2 0 348.447 1.049 20 0 EDADRP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590544 450752852 /nfs/dbraw/zinc/75/28/52/450752852.db2.gz OLFBAURKAUKWNF-UXLLHSPISA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000624231120 450757313 /nfs/dbraw/zinc/75/73/13/450757313.db2.gz PYFJFHYTSAVVFI-YLJYHZDGSA-N 2 0 331.504 1.738 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000629602612 450758221 /nfs/dbraw/zinc/75/82/21/450758221.db2.gz VCSPGTLZFYOYQI-GOSISDBHSA-N 2 0 345.443 1.892 20 0 EDADRP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335803 450798382 /nfs/dbraw/zinc/79/83/82/450798382.db2.gz AJSWOAAFZSAVKX-XSDIEEQYSA-N 2 0 343.515 1.943 20 0 EDADRP CC(C)[C@H]1CN(c2nc(N)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000624518215 450879474 /nfs/dbraw/zinc/87/94/74/450879474.db2.gz TUPMTYTZKQIQOJ-CQSZACIVSA-N 2 0 327.436 1.044 20 0 EDADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)C1CCC1 ZINC000629977754 450930814 /nfs/dbraw/zinc/93/08/14/450930814.db2.gz COIXKNHLBYNQLO-SFHVURJKSA-N 2 0 331.460 1.354 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)C1C[NH2+]C1 ZINC000622044757 451008665 /nfs/dbraw/zinc/00/86/65/451008665.db2.gz RJEOUYYOWZQFEY-AWEZNQCLSA-N 2 0 339.439 1.915 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000626927569 451011033 /nfs/dbraw/zinc/01/10/33/451011033.db2.gz SWPJUNBNBFYYFQ-UHFFFAOYSA-N 2 0 334.464 1.399 20 0 EDADRP CC(C)[C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]1CCC(C)CC1 ZINC000626933332 451015934 /nfs/dbraw/zinc/01/59/34/451015934.db2.gz JWIMMSWHGVNQIP-INIZCTEOSA-N 2 0 328.501 1.360 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000626934258 451016640 /nfs/dbraw/zinc/01/66/40/451016640.db2.gz WOIOKZZGNVYCHZ-JKSUJKDBSA-N 2 0 326.485 1.031 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000626944152 451023217 /nfs/dbraw/zinc/02/32/17/451023217.db2.gz UQOVTRUUVPPXDE-HNNXBMFYSA-N 2 0 326.416 1.093 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccc(F)cc1 ZINC000626943409 451023467 /nfs/dbraw/zinc/02/34/67/451023467.db2.gz JEUKXDUZJKWBDC-OAHLLOKOSA-N 2 0 338.427 1.236 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)cc1 ZINC000635527264 451024222 /nfs/dbraw/zinc/02/42/22/451024222.db2.gz QGIBEGDDPOTRFH-XYJFISCASA-N 2 0 344.459 1.588 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635535524 451031038 /nfs/dbraw/zinc/03/10/38/451031038.db2.gz HQVCGIIFHNTVTJ-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626971334 451042599 /nfs/dbraw/zinc/04/25/99/451042599.db2.gz FCWJFHZRXILKRC-UONOGXRCSA-N 2 0 326.485 1.316 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[N@H+](C)CCc2ccccc2)CCOCC1 ZINC000635565233 451063773 /nfs/dbraw/zinc/06/37/73/451063773.db2.gz MLBZHDQXGUTLHW-UHFFFAOYSA-N 2 0 333.476 1.388 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000632150974 451075580 /nfs/dbraw/zinc/07/55/80/451075580.db2.gz TZMBMGFGAWLROZ-JKSUJKDBSA-N 2 0 325.478 1.303 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627013169 451077514 /nfs/dbraw/zinc/07/75/14/451077514.db2.gz LSLVOQVYRXTXDS-LMSBXDPUSA-N 2 0 330.476 1.947 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034433 451093042 /nfs/dbraw/zinc/09/30/42/451093042.db2.gz GOVWGIHYDHXFMI-ZIAGYGMSSA-N 2 0 338.452 1.516 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000627158201 451153874 /nfs/dbraw/zinc/15/38/74/451153874.db2.gz MYEQPQFQXYRNRZ-DLBZAZTESA-N 2 0 338.496 1.317 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC1 ZINC000627050086 451101865 /nfs/dbraw/zinc/10/18/65/451101865.db2.gz AQAVQBYWKBCLRE-QGZVFWFLSA-N 2 0 346.475 1.329 20 0 EDADRP CCN(CCC[NH+]1CCCC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632265696 451155134 /nfs/dbraw/zinc/15/51/34/451155134.db2.gz GFKZKZYQBGNTBL-UHFFFAOYSA-N 2 0 331.526 1.610 20 0 EDADRP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227908 451129610 /nfs/dbraw/zinc/12/96/10/451129610.db2.gz MYLNSNBFPJXDMT-ZBFHGGJFSA-N 2 0 327.494 1.549 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000627113819 451130200 /nfs/dbraw/zinc/13/02/00/451130200.db2.gz MZHZVTUVJYLTAB-KURKYZTESA-N 2 0 330.476 1.772 20 0 EDADRP C[NH2+]CCOCCNC(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000627176067 451166454 /nfs/dbraw/zinc/16/64/54/451166454.db2.gz ILQJPGBYVCOIFY-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627189084 451175484 /nfs/dbraw/zinc/17/54/84/451175484.db2.gz LTHDFOCRZNYQDT-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP CN1CCN(C(=O)NCc2ccnc(-c3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000627225962 451196192 /nfs/dbraw/zinc/19/61/92/451196192.db2.gz CKUWNNLDNRGVSI-QGZVFWFLSA-N 2 0 339.443 1.533 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638083006 451245977 /nfs/dbraw/zinc/24/59/77/451245977.db2.gz ZOENOKOGRCHHQE-AZUAARDMSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000634269530 451259906 /nfs/dbraw/zinc/25/99/06/451259906.db2.gz HYXVLSAAXCBFGX-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP [NH3+][C@H](c1cn(CCC[NH+]2CCSCC2)nn1)C1CCOCC1 ZINC000630589958 451265777 /nfs/dbraw/zinc/26/57/77/451265777.db2.gz OTPHKJOYIUASIN-HNNXBMFYSA-N 2 0 325.482 1.143 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCCC1 ZINC000636524755 451266368 /nfs/dbraw/zinc/26/63/68/451266368.db2.gz UPRQRSRWOMWVCC-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCCC1 ZINC000636524753 451267207 /nfs/dbraw/zinc/26/72/07/451267207.db2.gz UPRQRSRWOMWVCC-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638110866 451278763 /nfs/dbraw/zinc/27/87/63/451278763.db2.gz KCQOUUMPOVGRFG-MRXNPFEDSA-N 2 0 339.443 1.529 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635830129 451279924 /nfs/dbraw/zinc/27/99/24/451279924.db2.gz YRGWSAULJPVPKY-MSOLQXFVSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131530 451303821 /nfs/dbraw/zinc/30/38/21/451303821.db2.gz RHRQRWQKHPOONT-APWZRJJASA-N 2 0 331.460 1.488 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638131935 451304211 /nfs/dbraw/zinc/30/42/11/451304211.db2.gz SMOGYPKHUKDMPJ-MSOLQXFVSA-N 2 0 332.492 1.246 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C3=CC[C@@H]([NH3+])C3)CC2)c1 ZINC000638136711 451311222 /nfs/dbraw/zinc/31/12/22/451311222.db2.gz AAJQBPJTWVZSFI-GOSISDBHSA-N 2 0 342.487 1.671 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638139280 451314378 /nfs/dbraw/zinc/31/43/78/451314378.db2.gz LHIHATYYYXGDOP-WBVHZDCISA-N 2 0 328.460 1.361 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141810 451316628 /nfs/dbraw/zinc/31/66/28/451316628.db2.gz IGHHKNHQPDQAJO-RTBURBONSA-N 2 0 344.503 1.436 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000635894402 451337538 /nfs/dbraw/zinc/33/75/38/451337538.db2.gz GIWAZEPTCDUCME-WMZOPIPTSA-N 2 0 335.492 1.717 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638214292 451358159 /nfs/dbraw/zinc/35/81/59/451358159.db2.gz YALZQFXPCQFTAS-GFCCVEGCSA-N 2 0 333.436 1.031 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000635927431 451369944 /nfs/dbraw/zinc/36/99/44/451369944.db2.gz NOFUHVYPLMJVCO-IRXDYDNUSA-N 2 0 341.496 1.057 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)CCCN1C(=O)NC(C)(C)C1=O ZINC000640530629 451382939 /nfs/dbraw/zinc/38/29/39/451382939.db2.gz FHCFZMRSGMENEN-UHFFFAOYSA-N 2 0 338.496 1.905 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1)C(F)F ZINC000638257975 451384252 /nfs/dbraw/zinc/38/42/52/451384252.db2.gz DPZMLAVSMDSVFU-VHSXEESVSA-N 2 0 325.281 1.804 20 0 EDADRP C[C@]1(c2nc(-c3ccc(CN4CCOCC4)cc3)no2)C[NH2+]CCO1 ZINC000634554567 451403348 /nfs/dbraw/zinc/40/33/48/451403348.db2.gz FPWJBHYWKAZXIL-GOSISDBHSA-N 2 0 344.415 1.404 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCCC[NH2+]1 ZINC000638287249 451404555 /nfs/dbraw/zinc/40/45/55/451404555.db2.gz UVHQPCYIPMJCQM-KPFFTGBYSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)C1 ZINC000640569115 451413804 /nfs/dbraw/zinc/41/38/04/451413804.db2.gz HPOQEHGJYKGKCK-KGLIPLIRSA-N 2 0 335.452 1.062 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638352602 451453978 /nfs/dbraw/zinc/45/39/78/451453978.db2.gz NBQZJBXFLWSBRE-FCGDIQPGSA-N 2 0 339.524 1.575 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(OC)c1C ZINC000630879671 451459253 /nfs/dbraw/zinc/45/92/53/451459253.db2.gz LHGCJTLLGKBPIB-MRXNPFEDSA-N 2 0 348.491 1.887 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)CC1(O)CCOCC1 ZINC000634698771 451470992 /nfs/dbraw/zinc/47/09/92/451470992.db2.gz XHTKBUDDYMHDEO-IBGZPJMESA-N 2 0 348.487 1.665 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)CC1(O)CCOCC1 ZINC000634706136 451484011 /nfs/dbraw/zinc/48/40/11/451484011.db2.gz LIAFANIWBWFJKG-QGZVFWFLSA-N 2 0 326.481 1.276 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000638428753 451509687 /nfs/dbraw/zinc/50/96/87/451509687.db2.gz BCFUGUYDIPSRJB-RBUKOAKNSA-N 2 0 346.519 1.682 20 0 EDADRP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1(C)C ZINC000636093666 451511501 /nfs/dbraw/zinc/51/15/01/451511501.db2.gz YFWFYXSXMFKGBP-HZPDHXFCSA-N 2 0 345.491 1.292 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000638489830 451541884 /nfs/dbraw/zinc/54/18/84/451541884.db2.gz OMAWQQDUXSHYMK-IBGZPJMESA-N 2 0 344.503 1.504 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)C1 ZINC000636159254 451554110 /nfs/dbraw/zinc/55/41/10/451554110.db2.gz DNEXSWWBTQXGTL-OTWHNJEPSA-N 2 0 343.471 1.440 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC[C@H]1C(F)(F)F ZINC000638546132 451570502 /nfs/dbraw/zinc/57/05/02/451570502.db2.gz BEFMFLPIRQMZGL-BPLDGKMQSA-N 2 0 341.377 1.859 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000638556300 451575026 /nfs/dbraw/zinc/57/50/26/451575026.db2.gz JTKSCCLVTPZIKI-XJFOESAGSA-N 2 0 333.398 1.608 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000636920224 451607855 /nfs/dbraw/zinc/60/78/55/451607855.db2.gz UTPJRNPXHUKMNP-JQHSSLGASA-N 2 0 346.475 1.015 20 0 EDADRP CC[C@@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640837176 451622480 /nfs/dbraw/zinc/62/24/80/451622480.db2.gz OBJASNLHUOLQOP-ZBFHGGJFSA-N 2 0 330.436 1.107 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000638672285 451643591 /nfs/dbraw/zinc/64/35/91/451643591.db2.gz UTUKVOOGPITXOX-LLVKDONJSA-N 2 0 327.388 1.221 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000638881685 451717863 /nfs/dbraw/zinc/71/78/63/451717863.db2.gz QBEMMKRSCZFRMK-HUUCEWRRSA-N 2 0 327.432 1.177 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638783017 451689847 /nfs/dbraw/zinc/68/98/47/451689847.db2.gz FWZQXAKKNGLNNM-GOSISDBHSA-N 2 0 329.444 1.521 20 0 EDADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785611 451691275 /nfs/dbraw/zinc/69/12/75/451691275.db2.gz DUJIGIGMGUVXQX-MRXNPFEDSA-N 2 0 329.444 1.521 20 0 EDADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638799778 451694721 /nfs/dbraw/zinc/69/47/21/451694721.db2.gz PRXMEZHRXNWDET-BMFZPTHFSA-N 2 0 339.430 1.909 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000638883189 451718665 /nfs/dbraw/zinc/71/86/65/451718665.db2.gz XNQRPNXTRNGNFV-MSOLQXFVSA-N 2 0 341.459 1.498 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632962883 451670983 /nfs/dbraw/zinc/67/09/83/451670983.db2.gz PQURWCROABZXKH-CJNGLKHVSA-N 2 0 334.468 1.883 20 0 EDADRP O=C(CCc1ccccc1O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984531 451745654 /nfs/dbraw/zinc/74/56/54/451745654.db2.gz LXLILRCVWSJBJB-UHFFFAOYSA-N 2 0 326.400 1.768 20 0 EDADRP Cc1nn(C)c(C)c1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985712 451746821 /nfs/dbraw/zinc/74/68/21/451746821.db2.gz DXJJUZQWWYHTSK-UHFFFAOYSA-N 2 0 328.420 1.023 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006337 451751753 /nfs/dbraw/zinc/75/17/53/451751753.db2.gz VXJLROZJPRUNRE-HZPDHXFCSA-N 2 0 337.414 1.930 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000637207476 451756520 /nfs/dbraw/zinc/75/65/20/451756520.db2.gz IRWQHODBFXZUIH-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)c2ccccc21 ZINC000639068731 451760919 /nfs/dbraw/zinc/76/09/19/451760919.db2.gz IMWSLGZJIIEMFE-ZDUSSCGKSA-N 2 0 340.431 1.295 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000641163414 451766377 /nfs/dbraw/zinc/76/63/77/451766377.db2.gz JHCAEFQPFFXJJR-CQSZACIVSA-N 2 0 346.475 1.276 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccncc1Br ZINC000639172542 451785269 /nfs/dbraw/zinc/78/52/69/451785269.db2.gz MHDVVAAQWLAWOU-UHFFFAOYSA-N 2 0 329.286 1.769 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646795493 451845354 /nfs/dbraw/zinc/84/53/54/451845354.db2.gz MQQPAIATMHFFDJ-LJQANCHMSA-N 2 0 347.503 1.636 20 0 EDADRP CC(C)CC[C@H](O)C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000644533787 451847291 /nfs/dbraw/zinc/84/72/91/451847291.db2.gz FEVIYABIBQHVDS-IBGZPJMESA-N 2 0 334.508 1.980 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000644563246 451864060 /nfs/dbraw/zinc/86/40/60/451864060.db2.gz WKRZLLLNPWWTOP-KSSFIOAISA-N 2 0 349.475 1.705 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)COc1ccccc1F)CN1CC[NH+](C)CC1 ZINC000644563000 451865076 /nfs/dbraw/zinc/86/50/76/451865076.db2.gz LODAEICZAUSLJH-CVEARBPZSA-N 2 0 339.455 1.039 20 0 EDADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581368 451873516 /nfs/dbraw/zinc/87/35/16/451873516.db2.gz GHOCPGRSLGZRTQ-KSZLIROESA-N 2 0 329.529 1.555 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000642684762 451915566 /nfs/dbraw/zinc/91/55/66/451915566.db2.gz CQWIGUHTSAMLQY-LSDHHAIUSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000642684760 451915817 /nfs/dbraw/zinc/91/58/17/451915817.db2.gz CQWIGUHTSAMLQY-GJZGRUSLSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000653412526 451925730 /nfs/dbraw/zinc/92/57/30/451925730.db2.gz WZXYMDCQQSUBOM-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N(C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000649271655 451944326 /nfs/dbraw/zinc/94/43/26/451944326.db2.gz QMXDWMQWMXVALM-SFHVURJKSA-N 2 0 332.492 1.433 20 0 EDADRP COCCC1(C(=O)NCCC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000649281357 451952821 /nfs/dbraw/zinc/95/28/21/451952821.db2.gz ASHSHOXEHNKVLB-UHFFFAOYSA-N 2 0 325.497 1.631 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000649281511 451954682 /nfs/dbraw/zinc/95/46/82/451954682.db2.gz PEDYYNFDSPZOIG-LJQANCHMSA-N 2 0 331.460 1.667 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649287596 451960917 /nfs/dbraw/zinc/96/09/17/451960917.db2.gz SRAUQUQTZHEELM-GOSISDBHSA-N 2 0 331.460 1.265 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649288566 451961804 /nfs/dbraw/zinc/96/18/04/451961804.db2.gz YZKZQIOXQVHVDI-UZLBHIALSA-N 2 0 344.503 1.568 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)CC1 ZINC000649288246 451962226 /nfs/dbraw/zinc/96/22/26/451962226.db2.gz GADKSOSUOXRTHV-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000649311866 451989703 /nfs/dbraw/zinc/98/97/03/451989703.db2.gz XWGLHRLZOJSERJ-CRAIPNDOSA-N 2 0 330.476 1.545 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@]2(N)CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331704 452013242 /nfs/dbraw/zinc/01/32/42/452013242.db2.gz PFJVYVHJKMJRRW-JXFKEZNVSA-N 2 0 344.503 1.799 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342872 452023217 /nfs/dbraw/zinc/02/32/17/452023217.db2.gz VBMBLQULWDJXMU-IEBWSBKVSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@H]([NH3+])CNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000641492805 452024087 /nfs/dbraw/zinc/02/40/87/452024087.db2.gz GISCJXHAKJUOFE-XIRDDKMYSA-N 2 0 339.528 1.312 20 0 EDADRP C[C@H]([NH3+])CNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000641492804 452024325 /nfs/dbraw/zinc/02/43/25/452024325.db2.gz GISCJXHAKJUOFE-USXIJHARSA-N 2 0 339.528 1.312 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000649345596 452026987 /nfs/dbraw/zinc/02/69/87/452026987.db2.gz GPIPGRXSDWIROD-PMPSAXMXSA-N 2 0 346.479 1.292 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)COC2CC[NH2+]CC2)c2ccccc2O1 ZINC000649347171 452030387 /nfs/dbraw/zinc/03/03/87/452030387.db2.gz IHXKFUUEJCGHGD-OAHLLOKOSA-N 2 0 333.432 1.111 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000647085117 452052590 /nfs/dbraw/zinc/05/25/90/452052590.db2.gz NGJDJHVPZCHIDO-CVEARBPZSA-N 2 0 342.447 1.240 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649421091 452083302 /nfs/dbraw/zinc/08/33/02/452083302.db2.gz CPSJLTKYKRRGJP-IBGZPJMESA-N 2 0 342.487 1.288 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806485 452092036 /nfs/dbraw/zinc/09/20/36/452092036.db2.gz LFWLPCYFUYDBNQ-GOSISDBHSA-N 2 0 330.476 1.189 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637823528 452101724 /nfs/dbraw/zinc/10/17/24/452101724.db2.gz RKNHDZYIWOIHCI-BJLQDIEVSA-N 2 0 343.471 1.332 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCCC[C@H]1CO)c1ccccc1 ZINC000653783491 452114683 /nfs/dbraw/zinc/11/46/83/452114683.db2.gz LXLSMHTUHDTXIQ-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCN1CCOCC1)[C@H]1CCSC1 ZINC000639776802 452122070 /nfs/dbraw/zinc/12/20/70/452122070.db2.gz RVVIUBWUXGLDSG-IRXDYDNUSA-N 2 0 327.538 1.610 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645103813 452153512 /nfs/dbraw/zinc/15/35/12/452153512.db2.gz BGMNONNMLUHOTB-MOPGFXCFSA-N 2 0 327.472 1.979 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000654013268 452203817 /nfs/dbraw/zinc/20/38/17/452203817.db2.gz YRHBLBFENLCOHE-HOTGVXAUSA-N 2 0 334.468 1.583 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C(=O)NCC[NH+](C)C ZINC000641742484 452232134 /nfs/dbraw/zinc/23/21/34/452232134.db2.gz CNEPQYUDZPIZIL-INIZCTEOSA-N 2 0 347.463 1.451 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCc1cccnc1 ZINC000647492549 452235508 /nfs/dbraw/zinc/23/55/08/452235508.db2.gz IXCFBDORBAWESM-UHFFFAOYSA-N 2 0 340.471 1.998 20 0 EDADRP O=C(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCC1 ZINC000643469728 452236340 /nfs/dbraw/zinc/23/63/40/452236340.db2.gz GFHMDZNUQZQXGA-APWZRJJASA-N 2 0 329.444 1.891 20 0 EDADRP CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657458671 452258696 /nfs/dbraw/zinc/25/86/96/452258696.db2.gz HRFGSTPXVQQDIC-BBRMVZONSA-N 2 0 349.460 1.075 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000647550155 452277640 /nfs/dbraw/zinc/27/76/40/452277640.db2.gz CNADAJTYVAETHV-NTDBWNAOSA-N 2 0 343.471 1.774 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CN1CCOc1ccccc1 ZINC000647550261 452277754 /nfs/dbraw/zinc/27/77/54/452277754.db2.gz IJGARRGXYFMXPL-TVFCKZIOSA-N 2 0 343.471 1.644 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000641804077 452280662 /nfs/dbraw/zinc/28/06/62/452280662.db2.gz AKZDRTBZTHQIAP-MCIONIFRSA-N 2 0 341.477 1.161 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659438162 452286749 /nfs/dbraw/zinc/28/67/49/452286749.db2.gz PITNVIIVAKARGE-HFCFLWKCSA-N 2 0 328.460 1.702 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1([NH3+])CCCC1 ZINC000659444407 452293341 /nfs/dbraw/zinc/29/33/41/452293341.db2.gz HJBJGVAIDFIWQX-UHFFFAOYSA-N 2 0 334.464 1.698 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000643539710 452299835 /nfs/dbraw/zinc/29/98/35/452299835.db2.gz UOGYFOJOWDHZFG-HPFXQQBRSA-N 2 0 337.508 1.817 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536879 452300591 /nfs/dbraw/zinc/30/05/91/452300591.db2.gz XKWMHOBNZFRWRI-HOTGVXAUSA-N 2 0 335.473 1.443 20 0 EDADRP C[NH+]1CCC[C@H](CNc2cnc(NC[C@@H]3CCC[N@@H+](C)C3)cn2)C1 ZINC000663578435 452301024 /nfs/dbraw/zinc/30/10/24/452301024.db2.gz BNJGZBXNRPVIQY-IYBDPMFKSA-N 2 0 332.496 1.984 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652117685 452313007 /nfs/dbraw/zinc/31/30/07/452313007.db2.gz RGXSLBWBMTUPNL-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638051621 452323223 /nfs/dbraw/zinc/32/32/23/452323223.db2.gz MPMQVUIQUDNKSP-FUHWJXTLSA-N 2 0 333.476 1.719 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652127372 452323590 /nfs/dbraw/zinc/32/35/90/452323590.db2.gz PHDCPWDNBAKGOH-QZWWFDLISA-N 2 0 340.512 1.645 20 0 EDADRP CO[C@H](C[NH2+]CC1(CN2CCOCC2)CCCCC1)[C@@H]1CCOC1 ZINC000657540233 452323606 /nfs/dbraw/zinc/32/36/06/452323606.db2.gz FRRLCMDZYOOKMH-QZTJIDSGSA-N 2 0 340.508 1.910 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652128907 452325823 /nfs/dbraw/zinc/32/58/23/452325823.db2.gz OJZGHPRNXBXSJN-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763462 452346266 /nfs/dbraw/zinc/34/62/66/452346266.db2.gz BHNWBSHATQUEGV-JKSUJKDBSA-N 2 0 327.517 1.042 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000638058307 452349412 /nfs/dbraw/zinc/34/94/12/452349412.db2.gz ARFMEALPNPRUIT-MPGHIAIKSA-N 2 0 349.475 1.181 20 0 EDADRP CN(CCC[NH3+])C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000659490478 452350136 /nfs/dbraw/zinc/35/01/36/452350136.db2.gz VOFKWSRGKZYINL-UHFFFAOYSA-N 2 0 336.402 1.782 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638062284 452355837 /nfs/dbraw/zinc/35/58/37/452355837.db2.gz DUSAVQLQDINUSZ-AZUAARDMSA-N 2 0 345.487 1.843 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000652170561 452366251 /nfs/dbraw/zinc/36/62/51/452366251.db2.gz JAFFBWXJFZFOQR-HOTGVXAUSA-N 2 0 338.496 1.183 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638065865 452367377 /nfs/dbraw/zinc/36/73/77/452367377.db2.gz BZJMDXQYUDJZLN-SOLBZPMBSA-N 2 0 325.497 1.616 20 0 EDADRP OCCO[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000657598942 452371114 /nfs/dbraw/zinc/37/11/14/452371114.db2.gz WBCIRWPZVFZIBG-GOSISDBHSA-N 2 0 326.481 1.541 20 0 EDADRP C[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067600 452371123 /nfs/dbraw/zinc/37/11/23/452371123.db2.gz FPAMEZPCCFKOJX-LMMKCTJWSA-N 2 0 346.519 1.682 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659505825 452371440 /nfs/dbraw/zinc/37/14/40/452371440.db2.gz GQFAOIJDTYZYSF-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000659505524 452372101 /nfs/dbraw/zinc/37/21/01/452372101.db2.gz PLGVPLZAWCHUBJ-QZTJIDSGSA-N 2 0 348.491 1.830 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000659509839 452373036 /nfs/dbraw/zinc/37/30/36/452373036.db2.gz ITYMWWMIQCJANW-AETAKHFUSA-N 2 0 348.466 1.959 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659523855 452387600 /nfs/dbraw/zinc/38/76/00/452387600.db2.gz XUDJBUPQNJCMFW-QZTJIDSGSA-N 2 0 348.491 1.426 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000638076252 452388966 /nfs/dbraw/zinc/38/89/66/452388966.db2.gz XKEQVRBGFJXDJN-FUHWJXTLSA-N 2 0 331.460 1.652 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H](C)C[NH3+])cc1F ZINC000659526252 452389201 /nfs/dbraw/zinc/38/92/01/452389201.db2.gz NDRBSTCIJJOOOE-ZLDLUXBVSA-N 2 0 338.427 1.174 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659530751 452392893 /nfs/dbraw/zinc/39/28/93/452392893.db2.gz LKKKHMQDUCDCEJ-WBVHZDCISA-N 2 0 330.476 1.935 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659533951 452394636 /nfs/dbraw/zinc/39/46/36/452394636.db2.gz ZQEOLRYCBJOMGP-GOSISDBHSA-N 2 0 346.475 1.542 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC[NH2+]1 ZINC000659537136 452396325 /nfs/dbraw/zinc/39/63/25/452396325.db2.gz JWGORCDHTVODGA-ZBFHGGJFSA-N 2 0 338.496 1.317 20 0 EDADRP COCC1(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000659543182 452400985 /nfs/dbraw/zinc/40/09/85/452400985.db2.gz TVLYVLIMAAUXKV-AWEZNQCLSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659553185 452409941 /nfs/dbraw/zinc/40/99/41/452409941.db2.gz HNTYRBMLJBSMMF-JKSUJKDBSA-N 2 0 338.496 1.304 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659557567 452412987 /nfs/dbraw/zinc/41/29/87/452412987.db2.gz SACBEBUNWPSECJ-XWTMOSNGSA-N 2 0 334.508 1.796 20 0 EDADRP CC1(C)CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659566993 452421562 /nfs/dbraw/zinc/42/15/62/452421562.db2.gz QKWYSPIATXZKHC-UHFFFAOYSA-N 2 0 345.491 1.687 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581445 452437131 /nfs/dbraw/zinc/43/71/31/452437131.db2.gz MODMOLQGFSFGEK-HZPDHXFCSA-N 2 0 336.455 1.911 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589493 452446682 /nfs/dbraw/zinc/44/66/82/452446682.db2.gz RBLYGDLVRBCJCV-BRWVUGGUSA-N 2 0 334.439 1.794 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659607903 452464133 /nfs/dbraw/zinc/46/41/33/452464133.db2.gz HKIXKYUDVJHMKM-FUHWJXTLSA-N 2 0 336.480 1.025 20 0 EDADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345995 452520726 /nfs/dbraw/zinc/52/07/26/452520726.db2.gz QNYXJJWKQAYGTF-OTWHNJEPSA-N 2 0 345.487 1.830 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346760 452521908 /nfs/dbraw/zinc/52/19/08/452521908.db2.gz HEJYZDSGBKSBCC-LUKYLMHMSA-N 2 0 341.496 1.136 20 0 EDADRP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647796775 452529200 /nfs/dbraw/zinc/52/92/00/452529200.db2.gz NKVDXAHUVJDHNM-TWMKSMIVSA-N 2 0 349.500 1.427 20 0 EDADRP Cc1csc(=O)n1CC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362007 452544711 /nfs/dbraw/zinc/54/47/11/452544711.db2.gz VMRSKOQMRUPOQQ-RBSFLKMASA-N 2 0 325.478 1.579 20 0 EDADRP C[C@H](O)[C@H]1CCC[NH+]1Cc1cncc(C[N@H+]2CCC[C@@H]2[C@H](C)O)c1 ZINC000661768002 452563985 /nfs/dbraw/zinc/56/39/85/452563985.db2.gz SQSJMGUEOZCTKX-ILRDRHFLSA-N 2 0 333.476 1.772 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)CC1 ZINC000659752300 452649666 /nfs/dbraw/zinc/64/96/66/452649666.db2.gz MBYBKBGHIFONKX-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CCN1CCOCC1)CC1CC1 ZINC000663940807 452660685 /nfs/dbraw/zinc/66/06/85/452660685.db2.gz FGYGIUUKPUQYPX-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000663998026 452698689 /nfs/dbraw/zinc/69/86/89/452698689.db2.gz IFXFUAGLJLRWHU-GOEBONIOSA-N 2 0 326.485 1.221 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655930959 452700648 /nfs/dbraw/zinc/70/06/48/452700648.db2.gz WBEQKSCCEMRHNU-OLZOCXBDSA-N 2 0 348.369 1.487 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000661954078 452715707 /nfs/dbraw/zinc/71/57/07/452715707.db2.gz UHKMBWWUGNQICI-BBWFWOEESA-N 2 0 338.496 1.148 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953137 452716002 /nfs/dbraw/zinc/71/60/02/452716002.db2.gz MGJCHECHZGVHNL-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000652705977 452857999 /nfs/dbraw/zinc/85/79/99/452857999.db2.gz SDHQVPQQEBLQJG-UHFFFAOYSA-N 2 0 340.512 1.248 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000656102384 452863040 /nfs/dbraw/zinc/86/30/40/452863040.db2.gz JLYHWOHPAQKIHX-OAHLLOKOSA-N 2 0 340.512 1.151 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167616 452879010 /nfs/dbraw/zinc/87/90/10/452879010.db2.gz DMJIXTVNLRLOLF-OBKDMQGPSA-N 2 0 339.483 1.965 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000648179166 452892419 /nfs/dbraw/zinc/89/24/19/452892419.db2.gz LPXAYKVNFSEFGJ-HWWDLCQESA-N 2 0 343.475 1.048 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705940 452943930 /nfs/dbraw/zinc/94/39/30/452943930.db2.gz ARKUNUBAFIHCTN-BZSNNMDCSA-N 2 0 331.460 1.765 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977879 452964291 /nfs/dbraw/zinc/96/42/91/452964291.db2.gz MIYIOTVAGMHEMP-IEBWSBKVSA-N 2 0 344.503 1.751 20 0 EDADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000662257691 452984908 /nfs/dbraw/zinc/98/49/08/452984908.db2.gz PDYWMJFNBSPHPC-SFHVURJKSA-N 2 0 343.471 1.744 20 0 EDADRP CCN(C[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)CC(F)(F)F ZINC000662262564 452993856 /nfs/dbraw/zinc/99/38/56/452993856.db2.gz HLBVWFCTQAVJRS-KGLIPLIRSA-N 2 0 335.414 1.714 20 0 EDADRP CO[C@H](C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+])C1CCCCC1 ZINC000662270671 453000148 /nfs/dbraw/zinc/00/01/48/453000148.db2.gz BPMQEHZSGKYHCX-IAGOWNOFSA-N 2 0 325.497 1.901 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)CC(C)(C)[NH3+])CC2)cc1 ZINC000662293299 453017299 /nfs/dbraw/zinc/01/72/99/453017299.db2.gz GGJVOUDDWPYMJO-UHFFFAOYSA-N 2 0 346.519 1.698 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666627507 453019975 /nfs/dbraw/zinc/01/99/75/453019975.db2.gz QROYCQDILDLPOY-GASCZTMLSA-N 2 0 346.475 1.568 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(CCC(=O)N2CC[NH2+]CC2)C1 ZINC000662305669 453025003 /nfs/dbraw/zinc/02/50/03/453025003.db2.gz JJEOKIGBGIHIDN-LJQANCHMSA-N 2 0 344.503 1.057 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640981 453031047 /nfs/dbraw/zinc/03/10/47/453031047.db2.gz UHMMSYFQSQOEMZ-DOTOQJQBSA-N 2 0 333.501 1.974 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666689638 453068000 /nfs/dbraw/zinc/06/80/00/453068000.db2.gz XTYYPVKRUCSJNS-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000662384811 453094981 /nfs/dbraw/zinc/09/49/81/453094981.db2.gz XEXSBVYJTBHMAN-GOSISDBHSA-N 2 0 332.492 1.438 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cn1 ZINC000662426120 453133971 /nfs/dbraw/zinc/13/39/71/453133971.db2.gz SQXMJOOSJBKMBY-UHFFFAOYSA-N 2 0 332.408 1.152 20 0 EDADRP C[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N1CC[NH+](C)CC1 ZINC000662463844 453172201 /nfs/dbraw/zinc/17/22/01/453172201.db2.gz JQJMAJULBSNWSL-CRAIPNDOSA-N 2 0 344.503 1.431 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@@H](C[NH3+])CC(C)C)CC1 ZINC000662493511 453209701 /nfs/dbraw/zinc/20/97/01/453209701.db2.gz NICBGMINAXAHAK-IRXDYDNUSA-N 2 0 326.529 1.387 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662525306 453244418 /nfs/dbraw/zinc/24/44/18/453244418.db2.gz ZKHNLRGUVXZQMR-HZPDHXFCSA-N 2 0 346.475 1.993 20 0 EDADRP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000646249069 453255148 /nfs/dbraw/zinc/25/51/48/453255148.db2.gz HSDGPBMWAQYZSB-QZTJIDSGSA-N 2 0 331.460 1.475 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000646264235 453269606 /nfs/dbraw/zinc/26/96/06/453269606.db2.gz MTDCJYLNUSGYFO-WZGPROSRSA-N 2 0 345.487 1.780 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000666974713 453293158 /nfs/dbraw/zinc/29/31/58/453293158.db2.gz XJWXTRHXXGZTBP-HYVNUMGLSA-N 2 0 338.496 1.364 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653108992 453293629 /nfs/dbraw/zinc/29/36/29/453293629.db2.gz PAIWWBIQFVDWEM-ZWKOTPCHSA-N 2 0 331.460 1.774 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccsc1 ZINC000653109522 453294006 /nfs/dbraw/zinc/29/40/06/453294006.db2.gz DJZIQDOMQGOSTI-ZOBUZTSGSA-N 2 0 337.489 1.483 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653111268 453298161 /nfs/dbraw/zinc/29/81/61/453298161.db2.gz KHJKWHRTLZBAOG-JKSUJKDBSA-N 2 0 337.533 1.995 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113241 453299431 /nfs/dbraw/zinc/29/94/31/453299431.db2.gz XOOZMOKLYPKTBY-XZKMEQPCSA-N 2 0 329.444 1.174 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113783 453301074 /nfs/dbraw/zinc/30/10/74/453301074.db2.gz NTSFWPWRRYWMHO-DFEOGRTESA-N 2 0 335.492 1.335 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662577774 453305595 /nfs/dbraw/zinc/30/55/95/453305595.db2.gz FJIPDTAPJZIXTC-OAHLLOKOSA-N 2 0 333.480 1.581 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662582287 453309998 /nfs/dbraw/zinc/30/99/98/453309998.db2.gz MZRXXATWKKLDBT-LUKYLMHMSA-N 2 0 325.497 1.742 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)C1(C)C ZINC000662588869 453315194 /nfs/dbraw/zinc/31/51/94/453315194.db2.gz FRYJVLHXEBVFJP-MDZRGWNJSA-N 2 0 337.508 1.757 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662593935 453320357 /nfs/dbraw/zinc/32/03/57/453320357.db2.gz MDLHHINDRUUKIS-SJLPKXTDSA-N 2 0 345.491 1.659 20 0 EDADRP COc1c[nH+]ccc1N1CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000660453492 453321176 /nfs/dbraw/zinc/32/11/76/453321176.db2.gz OMWZELXHBDXTKP-HOTGVXAUSA-N 2 0 334.464 1.321 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646377631 453355345 /nfs/dbraw/zinc/35/53/45/453355345.db2.gz DYVIXCQPMHWBGI-XYJFISCASA-N 2 0 345.491 1.659 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408834 453369235 /nfs/dbraw/zinc/36/92/35/453369235.db2.gz LYUNJIFSIASZHR-ROUUACIJSA-N 2 0 331.460 1.708 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)[NH+](CC)CC ZINC000653184070 453375689 /nfs/dbraw/zinc/37/56/89/453375689.db2.gz MMFPEGDFQZFBSH-MWDXBVQZSA-N 2 0 325.497 1.852 20 0 EDADRP Cn1ncc(C2CC2)c1CNC[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656710349 453386424 /nfs/dbraw/zinc/38/64/24/453386424.db2.gz IVSMDOXMRISWNE-KRWDZBQOSA-N 2 0 328.460 1.880 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000662672773 453388000 /nfs/dbraw/zinc/38/80/00/453388000.db2.gz DSVMZRYDGKOXCS-IRXDYDNUSA-N 2 0 335.423 1.270 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673804 453391120 /nfs/dbraw/zinc/39/11/20/453391120.db2.gz RKPUKLXUTKYFFY-ROUUACIJSA-N 2 0 331.460 1.439 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662676645 453396864 /nfs/dbraw/zinc/39/68/64/453396864.db2.gz HJTYYCXVCBKWFA-AEFFLSMTSA-N 2 0 349.475 1.387 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000662679161 453398832 /nfs/dbraw/zinc/39/88/32/453398832.db2.gz KYUOSQYRQTWGBC-OAGGEKHMSA-N 2 0 348.495 1.585 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681009 453401653 /nfs/dbraw/zinc/40/16/53/453401653.db2.gz RNNARXSLWUGJFN-LSDHHAIUSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662694768 453415435 /nfs/dbraw/zinc/41/54/35/453415435.db2.gz CJJNRKRDEHRKTD-PMPSAXMXSA-N 2 0 348.495 1.443 20 0 EDADRP CN(Cc1c[nH]cn1)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000660578391 453416537 /nfs/dbraw/zinc/41/65/37/453416537.db2.gz OWNPOQPJGSAADS-UHFFFAOYSA-N 2 0 345.447 1.734 20 0 EDADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)[NH+](CC)CC ZINC000653260796 453442984 /nfs/dbraw/zinc/44/29/84/453442984.db2.gz LGMBAEGIYQZWAR-YLFCFFPRSA-N 2 0 325.497 1.994 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)n(C2CC[NH+](C)CC2)n1 ZINC000667176529 453453468 /nfs/dbraw/zinc/45/34/68/453453468.db2.gz UKEIONUKKFAFAT-KBPBESRZSA-N 2 0 334.468 1.850 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccccc2C)CC1 ZINC000662742949 453469162 /nfs/dbraw/zinc/46/91/62/453469162.db2.gz JASYHLLOCHMTHW-SFHVURJKSA-N 2 0 346.475 1.102 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662751542 453484740 /nfs/dbraw/zinc/48/47/40/453484740.db2.gz COEPNUHSNIGBIW-UHFFFAOYSA-N 2 0 345.487 1.952 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662755398 453491731 /nfs/dbraw/zinc/49/17/31/453491731.db2.gz APZHKMJRZHAJOK-LJQANCHMSA-N 2 0 344.503 1.755 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]([NH3+])c2ccccc2OC)C1(C)C ZINC000646602798 453505017 /nfs/dbraw/zinc/50/50/17/453505017.db2.gz CTVHKOUOFXLUCP-DDUZABMNSA-N 2 0 335.448 1.344 20 0 EDADRP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662785655 453519525 /nfs/dbraw/zinc/51/95/25/453519525.db2.gz VZYUKDTURDUWHU-VNHYZAJKSA-N 2 0 333.398 1.767 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000667293942 453540632 /nfs/dbraw/zinc/54/06/32/453540632.db2.gz UATVAZFHLQXIEW-GOSISDBHSA-N 2 0 347.507 1.006 20 0 EDADRP CCC[C@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000662825525 453553887 /nfs/dbraw/zinc/55/38/87/453553887.db2.gz JNBMYCMRHIPHDC-CABCVRRESA-N 2 0 349.479 1.060 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831842 453558441 /nfs/dbraw/zinc/55/84/41/453558441.db2.gz CTISFIGRWOXEFC-FJIDUMEYSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000662834039 453560830 /nfs/dbraw/zinc/56/08/30/453560830.db2.gz XYXDFFLOMNHZMF-FGTMMUONSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834423 453561340 /nfs/dbraw/zinc/56/13/40/453561340.db2.gz HGYKSKVPMBAAJD-GDBMZVCRSA-N 2 0 332.448 1.888 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659036715 453592496 /nfs/dbraw/zinc/59/24/96/453592496.db2.gz SUNSFMBTDMYKRS-KBRIMQKVSA-N 2 0 332.448 1.952 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CCOC)CC1 ZINC000665289617 453636850 /nfs/dbraw/zinc/63/68/50/453636850.db2.gz SPTYRLUCWOALKS-NVXWUHKLSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000659112879 453643709 /nfs/dbraw/zinc/64/37/09/453643709.db2.gz SOLSKUPYNUQVMD-KGLIPLIRSA-N 2 0 346.475 1.709 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000665355089 453663584 /nfs/dbraw/zinc/66/35/84/453663584.db2.gz JFQJLFWEZVIHOE-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CCn2ccnc2C1 ZINC000661043688 453692232 /nfs/dbraw/zinc/69/22/32/453692232.db2.gz DLCXNNDRIUOOCW-SJORKVTESA-N 2 0 339.443 1.772 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1F ZINC000659356247 453726941 /nfs/dbraw/zinc/72/69/41/453726941.db2.gz XTRBHLNDBWYPHM-UYHMYPTGSA-N 2 0 335.423 1.394 20 0 EDADRP C[C@H](C[NH2+]CCC(=O)N(C)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000663360729 453778283 /nfs/dbraw/zinc/77/82/83/453778283.db2.gz PXVGUARUIZABAR-QGZVFWFLSA-N 2 0 332.492 1.513 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1cccc3c1CC[NH2+]C3)C2=O ZINC000663379240 453784401 /nfs/dbraw/zinc/78/44/01/453784401.db2.gz KFNUFBIVHURGAN-HNAYVOBHSA-N 2 0 342.443 1.272 20 0 EDADRP c1nc(N[C@@H]2CC[NH+](C3CC3)C2)cc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663425753 453794671 /nfs/dbraw/zinc/79/46/71/453794671.db2.gz SDEHSIVJTJLOGD-ZIAGYGMSSA-N 2 0 328.464 1.774 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000663448544 453801270 /nfs/dbraw/zinc/80/12/70/453801270.db2.gz ZWNORNCKMHHQMX-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000683369924 486698963 /nfs/dbraw/zinc/69/89/63/486698963.db2.gz UHGLWSBFHAHKIY-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000672688210 486763376 /nfs/dbraw/zinc/76/33/76/486763376.db2.gz UPMKEYSIYOMGNB-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[NH2+]C3CC3)c2)CC1 ZINC000667396433 486760782 /nfs/dbraw/zinc/76/07/82/486760782.db2.gz PGJHSMHALWDDLK-UHFFFAOYSA-N 2 0 331.464 1.702 20 0 EDADRP O=C1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)N1 ZINC000683931847 486870710 /nfs/dbraw/zinc/87/07/10/486870710.db2.gz HQVZHHFNOGRRQK-KRWDZBQOSA-N 2 0 331.460 1.920 20 0 EDADRP CN1c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2CC1=O ZINC000683951899 486880787 /nfs/dbraw/zinc/88/07/87/486880787.db2.gz FXJBRNZDJSRFON-UHFFFAOYSA-N 2 0 347.463 1.163 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000430753514 486892428 /nfs/dbraw/zinc/89/24/28/486892428.db2.gz IVPIWPLWXQAYBE-SJORKVTESA-N 2 0 346.475 1.824 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667803801 486972212 /nfs/dbraw/zinc/97/22/12/486972212.db2.gz PBQVJPLSOWFKDM-CYBMUJFWSA-N 2 0 331.464 1.921 20 0 EDADRP C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000677290646 487034459 /nfs/dbraw/zinc/03/44/59/487034459.db2.gz ONBYVTLZTCTBHU-CGTJXYLNSA-N 2 0 338.540 1.732 20 0 EDADRP Cc1cn2ccc(NC(=O)N3CC[NH+](C[C@@H]4CCOC4)CC3)cc2n1 ZINC000668156027 487122188 /nfs/dbraw/zinc/12/21/88/487122188.db2.gz FRLDYXVSSPTXPU-HNNXBMFYSA-N 2 0 343.431 1.829 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862688 487136742 /nfs/dbraw/zinc/13/67/42/487136742.db2.gz PIIFIUDPEQLMNL-AWEZNQCLSA-N 2 0 343.435 1.025 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000673870382 487140066 /nfs/dbraw/zinc/14/00/66/487140066.db2.gz MUQGTKVJVHSCMC-KRWDZBQOSA-N 2 0 344.463 1.869 20 0 EDADRP C[C@@H](C(=O)NC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CCCCC1)[NH+](C)C ZINC000674264442 487225445 /nfs/dbraw/zinc/22/54/45/487225445.db2.gz HYHKQRHZXMMEPC-DZKIICNBSA-N 2 0 340.512 1.068 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000674329195 487238486 /nfs/dbraw/zinc/23/84/86/487238486.db2.gz SEBZEWJBOINLQS-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP OCC1([NH2+]CCOCC[NH2+]C2(CO)CCCCC2)CCCCC1 ZINC000678972940 487383368 /nfs/dbraw/zinc/38/33/68/487383368.db2.gz HSFPHZFANUBAMP-UHFFFAOYSA-N 2 0 328.497 1.573 20 0 EDADRP C[NH+](C)CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683198908 487459412 /nfs/dbraw/zinc/45/94/12/487459412.db2.gz UQSGOHJCCXFQSR-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000668942824 485476338 /nfs/dbraw/zinc/47/63/38/485476338.db2.gz OLTPJNCBYHKKHJ-CABCVRRESA-N 2 0 340.512 1.022 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000669521445 485488900 /nfs/dbraw/zinc/48/89/00/485488900.db2.gz NVHFSPBNBJURQD-PBHICJAKSA-N 2 0 325.416 1.273 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669528899 485504253 /nfs/dbraw/zinc/50/42/53/485504253.db2.gz PUXQFOCXUSZJPO-ONIAQPFYSA-N 2 0 346.475 1.407 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[C@H]1[NH3+] ZINC000669570886 485592257 /nfs/dbraw/zinc/59/22/57/485592257.db2.gz HVRLZPSLAGOGPP-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCCC2 ZINC000337845555 485691000 /nfs/dbraw/zinc/69/10/00/485691000.db2.gz OLOKBKGSTWGARU-INIZCTEOSA-N 2 0 347.507 1.708 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000668541057 485869072 /nfs/dbraw/zinc/86/90/72/485869072.db2.gz IOQKLSPXJRBWPN-PBHICJAKSA-N 2 0 325.416 1.676 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000343427813 485932093 /nfs/dbraw/zinc/93/20/93/485932093.db2.gz OXXIOSNIPMVJPO-MOPGFXCFSA-N 2 0 349.519 1.820 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000344144630 485945216 /nfs/dbraw/zinc/94/52/16/485945216.db2.gz UGKWBLVFIVXIEM-BHYGNILZSA-N 2 0 335.496 1.350 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669366063 486013639 /nfs/dbraw/zinc/01/36/39/486013639.db2.gz VAAXHUJIARLCAC-YVSFHVDLSA-N 2 0 340.512 1.502 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388794 486024609 /nfs/dbraw/zinc/02/46/09/486024609.db2.gz QLHBNOZVFVVXAR-DLBZAZTESA-N 2 0 340.512 1.376 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCOCC2)[C@H](C)C1 ZINC000678601658 486044871 /nfs/dbraw/zinc/04/48/71/486044871.db2.gz BPVSRIASYDOPQC-IAGOWNOFSA-N 2 0 328.497 1.909 20 0 EDADRP C[NH+](C)C1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000668716249 486082402 /nfs/dbraw/zinc/08/24/02/486082402.db2.gz XZKLYWPCVHQUMM-UHFFFAOYSA-N 2 0 331.460 1.354 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000669420239 486139524 /nfs/dbraw/zinc/13/95/24/486139524.db2.gz FXKMBMGPNPJEMH-ROUUACIJSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669458608 486213762 /nfs/dbraw/zinc/21/37/62/486213762.db2.gz BSFDMPYEHYOHJN-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668809922 486219103 /nfs/dbraw/zinc/21/91/03/486219103.db2.gz YBMIRNTZGCDOIV-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000669490658 486263890 /nfs/dbraw/zinc/26/38/90/486263890.db2.gz SAPKCWRIUHGVNP-INIZCTEOSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000660826188 486645035 /nfs/dbraw/zinc/64/50/35/486645035.db2.gz NRSYSIKRIWAEPE-XJKSGUPXSA-N 2 0 328.526 1.596 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)CN1CC[NH+](C)CC1 ZINC000120785312 490998191 /nfs/dbraw/zinc/99/81/91/490998191.db2.gz JFNDGKVRKPAUGE-HOTGVXAUSA-N 2 0 343.479 1.196 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000073225588 491007815 /nfs/dbraw/zinc/00/78/15/491007815.db2.gz VVJYMTYHJQYOOB-IAGOWNOFSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000073433942 491008775 /nfs/dbraw/zinc/00/87/75/491008775.db2.gz UUJMYBOEELBBQE-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073642720 491009025 /nfs/dbraw/zinc/00/90/25/491009025.db2.gz KNRHIFRZYINVAG-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000081789644 491181179 /nfs/dbraw/zinc/18/11/79/491181179.db2.gz RLLPNMGYWPLNSS-UHFFFAOYSA-N 2 0 347.507 1.394 20 0 EDADRP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)Cc2ccccc2C1 ZINC000169238691 534529534 /nfs/dbraw/zinc/52/95/34/534529534.db2.gz OXXWMAZCHZMDCT-GOSISDBHSA-N 2 0 327.472 1.960 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000125625765 534900487 /nfs/dbraw/zinc/90/04/87/534900487.db2.gz DFKVCFSKKSTLEJ-INIZCTEOSA-N 2 0 334.464 1.513 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000119201415 536504034 /nfs/dbraw/zinc/50/40/34/536504034.db2.gz XELRZGVYWBGALT-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000347516885 535103365 /nfs/dbraw/zinc/10/33/65/535103365.db2.gz HABASDJBDJRZLD-GOSISDBHSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000124864854 535138755 /nfs/dbraw/zinc/13/87/55/535138755.db2.gz AQXSPUUQCFNFEO-OAHLLOKOSA-N 2 0 336.484 1.544 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000236843998 535307855 /nfs/dbraw/zinc/30/78/55/535307855.db2.gz LFZOLLRVFZGQHG-LJQANCHMSA-N 2 0 332.492 1.537 20 0 EDADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(CCC(=O)OC)c2C)CC1 ZINC000347180678 535460668 /nfs/dbraw/zinc/46/06/68/535460668.db2.gz VJJLSGDVQHKUON-UHFFFAOYSA-N 2 0 336.480 1.885 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236991951 535754283 /nfs/dbraw/zinc/75/42/83/535754283.db2.gz RSWUELJWZQQGBG-OAHLLOKOSA-N 2 0 348.516 1.862 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000333117131 535756280 /nfs/dbraw/zinc/75/62/80/535756280.db2.gz HONSKSFXAJFOPJ-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262671666 535850037 /nfs/dbraw/zinc/85/00/37/535850037.db2.gz ONIPFKJTVDPJRY-WMLDXEAASA-N 2 0 346.475 1.824 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCCS(=O)(=O)C2)cc1 ZINC000271661249 535903904 /nfs/dbraw/zinc/90/39/04/535903904.db2.gz DIZYBOJLDOCZLB-INIZCTEOSA-N 2 0 340.489 1.336 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)C[C@@H]2CSCC[NH2+]2)ccc1F ZINC000237047974 535988215 /nfs/dbraw/zinc/98/82/15/535988215.db2.gz UINLFCFXAGCOPV-CQSZACIVSA-N 2 0 325.453 1.599 20 0 EDADRP CCn1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000092426398 536050852 /nfs/dbraw/zinc/05/08/52/536050852.db2.gz HMTHCKXWMWEUCW-UHFFFAOYSA-N 2 0 349.523 1.819 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)CC1 ZINC000261956645 536340352 /nfs/dbraw/zinc/34/03/52/536340352.db2.gz QWFZYMBXCUVNHE-KRWDZBQOSA-N 2 0 334.508 1.051 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261899211 536345012 /nfs/dbraw/zinc/34/50/12/536345012.db2.gz WHPIUWXPJHHMKW-PBHICJAKSA-N 2 0 332.448 1.638 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262220388 536403492 /nfs/dbraw/zinc/40/34/92/536403492.db2.gz JLUDZTJHOYQCTA-BBWFWOEESA-N 2 0 333.480 1.056 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C1 ZINC000347097682 536774939 /nfs/dbraw/zinc/77/49/39/536774939.db2.gz QPBRSSRPGPIZOO-YESZJQIVSA-N 2 0 340.512 1.467 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCOCC2)CC1 ZINC000347585646 536778055 /nfs/dbraw/zinc/77/80/55/536778055.db2.gz HSYNYLUEJMZXQF-UHFFFAOYSA-N 2 0 327.513 1.389 20 0 EDADRP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1CCCCCCCO ZINC000743848605 578282601 /nfs/dbraw/zinc/28/26/01/578282601.db2.gz ISZICBQGQVFXSO-ZWKOTPCHSA-N 2 0 327.513 1.266 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC2OCCCO2)CC1 ZINC000748049777 578478380 /nfs/dbraw/zinc/47/83/80/578478380.db2.gz QYTNGMJQODZQPB-IRXDYDNUSA-N 2 0 325.497 1.630 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000729491951 578577197 /nfs/dbraw/zinc/57/71/97/578577197.db2.gz LDXUQRUFYUKHRW-OAHLLOKOSA-N 2 0 331.464 1.512 20 0 EDADRP C[C@H]1CN(CCNC(=O)NCCCCNc2ccccn2)CCO1 ZINC000729605271 578584281 /nfs/dbraw/zinc/58/42/81/578584281.db2.gz HYZGWYMGHMOCGZ-HNNXBMFYSA-N 2 0 335.452 1.294 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)CCCC[NH+]1CCCC1 ZINC000729689815 578588125 /nfs/dbraw/zinc/58/81/25/578588125.db2.gz QSZZWWOZNCPUCW-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000730109539 578615190 /nfs/dbraw/zinc/61/51/90/578615190.db2.gz SJUJJSLZEVCSEZ-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000730261960 578637683 /nfs/dbraw/zinc/63/76/83/578637683.db2.gz VKRZXLDBXUYUCZ-WBVHZDCISA-N 2 0 335.448 1.159 20 0 EDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000730261958 578637691 /nfs/dbraw/zinc/63/76/91/578637691.db2.gz VKRZXLDBXUYUCZ-RDJZCZTQSA-N 2 0 335.448 1.159 20 0 EDADRP C[C@H]1C(=O)N([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302904 580054416 /nfs/dbraw/zinc/05/44/16/580054416.db2.gz LRKNYJJCXFHLFY-BBRMVZONSA-N 2 0 334.464 1.360 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](C2CCOCC2)CC1 ZINC000747668895 579653051 /nfs/dbraw/zinc/65/30/51/579653051.db2.gz HKMLUMPHCFYUSZ-UHFFFAOYSA-N 2 0 342.553 1.245 20 0 EDADRP Cc1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nc(N)[nH+]1 ZINC000751113176 579794547 /nfs/dbraw/zinc/79/45/47/579794547.db2.gz QVNBGVJOLILVQY-UHFFFAOYSA-N 2 0 334.468 1.406 20 0 EDADRP O=C(CCN1CCOCC1)N1CCN(CCc2cccs2)CC1 ZINC000751363089 579803035 /nfs/dbraw/zinc/80/30/35/579803035.db2.gz KIMOCMMHXKMHPS-UHFFFAOYSA-N 2 0 337.489 1.157 20 0 EDADRP COC(=O)C1=C(C)O[C@@H](C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000778221828 580459108 /nfs/dbraw/zinc/45/91/08/580459108.db2.gz JYHBVGLUMNCVEL-MRXNPFEDSA-N 2 0 339.480 1.180 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCc1ccon1 ZINC000764439698 580119931 /nfs/dbraw/zinc/11/99/31/580119931.db2.gz YBOIKLLSMWJROB-UHFFFAOYSA-N 2 0 327.498 1.255 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)CCO2 ZINC000765797280 580151570 /nfs/dbraw/zinc/15/15/70/580151570.db2.gz NUUQSCVVHMPSDP-YOEHRIQHSA-N 2 0 331.460 1.860 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775369980 580389426 /nfs/dbraw/zinc/38/94/26/580389426.db2.gz JNOFYELSJWLDHT-KLHDSHLOSA-N 2 0 329.579 1.982 20 0 EDADRP C[C@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000779335602 580483730 /nfs/dbraw/zinc/48/37/30/580483730.db2.gz FQEUIBOTNXFCGP-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000781025922 580540442 /nfs/dbraw/zinc/54/04/42/580540442.db2.gz XYHPWZQQQUBCIX-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000782633418 580581321 /nfs/dbraw/zinc/58/13/21/580581321.db2.gz HHTVCCYMWFDWJO-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CNC(=O)O3)CC2)cc1 ZINC000783722163 580604765 /nfs/dbraw/zinc/60/47/65/580604765.db2.gz XKRXABFZWJEFOR-UHFFFAOYSA-N 2 0 333.432 1.701 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(Br)nn1C ZINC000785483649 580645391 /nfs/dbraw/zinc/64/53/91/580645391.db2.gz AEIMFMZMMOSMCU-GFCCVEGCSA-N 2 0 333.274 1.629 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978175 580832833 /nfs/dbraw/zinc/83/28/33/580832833.db2.gz RTMUVMBRIRONOS-OWCLPIDISA-N 2 0 341.496 1.678 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000792978171 580832851 /nfs/dbraw/zinc/83/28/51/580832851.db2.gz RTMUVMBRIRONOS-BZUAXINKSA-N 2 0 341.496 1.678 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@@H]2C1 ZINC000793928198 580860734 /nfs/dbraw/zinc/86/07/34/580860734.db2.gz JBAPVIXYRSMIKB-SJORKVTESA-N 2 0 335.492 1.432 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC[S@](C)=O)CC1 ZINC000798198036 580990470 /nfs/dbraw/zinc/99/04/70/580990470.db2.gz YAJYMTDHFNYGIF-FATZIPQQSA-N 2 0 341.496 1.997 20 0 EDADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC(=O)NC1=O ZINC000799149301 581019223 /nfs/dbraw/zinc/01/92/23/581019223.db2.gz HLAJCLBOKORWTJ-MRXNPFEDSA-N 2 0 330.432 1.425 20 0 EDADRP CCc1nn(C)c(Cl)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799346479 581026065 /nfs/dbraw/zinc/02/60/65/581026065.db2.gz LUXTYNTVHQNPGI-UHFFFAOYSA-N 2 0 327.904 1.752 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000891857293 590657873 /nfs/dbraw/zinc/65/78/73/590657873.db2.gz UJPRTHPXSUJUCI-STQMWFEESA-N 2 0 336.402 1.797 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000891864102 590661339 /nfs/dbraw/zinc/66/13/39/590661339.db2.gz GIUBXFLSLOIBLZ-UZYDLOFFSA-N 2 0 348.413 1.923 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891865416 590662023 /nfs/dbraw/zinc/66/20/23/590662023.db2.gz OVSPWGBFGFFSRA-CHWSQXEVSA-N 2 0 332.439 1.651 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC[NH2+]C1CC1 ZINC000891967858 590714259 /nfs/dbraw/zinc/71/42/59/590714259.db2.gz DKHLYJQMXICZAG-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1cc(N)nc(N(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000893285477 590754332 /nfs/dbraw/zinc/75/43/32/590754332.db2.gz OGLYZQVQJDBRQM-SFHVURJKSA-N 2 0 327.432 1.440 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892055938 590775748 /nfs/dbraw/zinc/77/57/48/590775748.db2.gz NOMFBRFZCROKQN-DOTOQJQBSA-N 2 0 340.512 1.552 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC([NH2+]C2CCOCC2)CC1)C1CCCC1 ZINC000892092412 590794876 /nfs/dbraw/zinc/79/48/76/590794876.db2.gz PKLQDADCUJUSJN-KRWDZBQOSA-N 2 0 338.496 1.447 20 0 EDADRP COCCC1(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[NH2+]CC1 ZINC000892119134 590809617 /nfs/dbraw/zinc/80/96/17/590809617.db2.gz MWIQGKXYJVOIEF-QGZVFWFLSA-N 2 0 346.475 1.331 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000892163276 590834132 /nfs/dbraw/zinc/83/41/32/590834132.db2.gz LYXMYCBKRQZUKD-HOTGVXAUSA-N 2 0 331.464 1.834 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170620 590842289 /nfs/dbraw/zinc/84/22/89/590842289.db2.gz VCVBGOLOHBMHHF-ROUUACIJSA-N 2 0 346.475 1.247 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)[NH+]1CCCCC1 ZINC000892204055 590864008 /nfs/dbraw/zinc/86/40/08/590864008.db2.gz HTNFEHLTHFKVJE-ZACQAIPSSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2)C[C@H]1C[NH+](C)C ZINC000892210892 590865818 /nfs/dbraw/zinc/86/58/18/590865818.db2.gz SBNQLFDSQTTZHH-QZTJIDSGSA-N 3 0 347.507 1.026 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000892227637 590875029 /nfs/dbraw/zinc/87/50/29/590875029.db2.gz XQUFUUDYFQSUNO-KBPBESRZSA-N 2 0 344.381 1.685 20 0 EDADRP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000892257910 590890731 /nfs/dbraw/zinc/89/07/31/590890731.db2.gz VOXPPGVBAAUDKA-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000892288907 590917457 /nfs/dbraw/zinc/91/74/57/590917457.db2.gz HHDXMDPFYZFFLU-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000892294480 590920068 /nfs/dbraw/zinc/92/00/68/590920068.db2.gz ZAUAVMUYSGTCRL-GOEBONIOSA-N 2 0 326.485 1.127 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000892295656 590921925 /nfs/dbraw/zinc/92/19/25/590921925.db2.gz RNNQJZNMLANLRD-UNEWFSDZSA-N 2 0 332.448 1.492 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[NH2+]C1 ZINC000892389995 591007158 /nfs/dbraw/zinc/00/71/58/591007158.db2.gz QIIADZSSGZKVRU-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892391456 591007578 /nfs/dbraw/zinc/00/75/78/591007578.db2.gz CLWHXXMMTWTBJV-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000892456385 591033616 /nfs/dbraw/zinc/03/36/16/591033616.db2.gz ZVEUNXHYZLIXSE-VFORCBIJSA-N 2 0 336.480 1.280 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000892481015 591042284 /nfs/dbraw/zinc/04/22/84/591042284.db2.gz KYQKZUXMJOZDPS-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484147 591044044 /nfs/dbraw/zinc/04/40/44/591044044.db2.gz ZONIUBYTKAXDLA-MRXNPFEDSA-N 2 0 341.544 1.290 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565803 591074778 /nfs/dbraw/zinc/07/47/78/591074778.db2.gz KVDGXSDIYSUVPW-ZHALLVOQSA-N 2 0 346.475 1.002 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000892566732 591075132 /nfs/dbraw/zinc/07/51/32/591075132.db2.gz MRSOJXBWOMFTBX-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000891479181 591089004 /nfs/dbraw/zinc/08/90/04/591089004.db2.gz PWZCDQGVZLHSEY-STQMWFEESA-N 2 0 336.402 1.497 20 0 EDADRP COc1ccccc1C(=O)N1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000891587350 591136864 /nfs/dbraw/zinc/13/68/64/591136864.db2.gz RMRNJEJSXIKUGM-UHFFFAOYSA-N 2 0 331.460 1.795 20 0 EDADRP C[C@@H](CNC(=O)N(C)C1(C[NH3+])CCCCC1)C[NH+]1CCN(C)CC1 ZINC000891604011 591145118 /nfs/dbraw/zinc/14/51/18/591145118.db2.gz VBVGVTLGASCNFT-INIZCTEOSA-N 2 0 339.528 1.173 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccccc3C[NH+]3CCCC3)C[C@H]2C1 ZINC000891647885 591165770 /nfs/dbraw/zinc/16/57/70/591165770.db2.gz IEWVKZFDEKWZLH-KDURUIRLSA-N 2 0 342.487 1.985 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892836898 591197319 /nfs/dbraw/zinc/19/73/19/591197319.db2.gz SWEVZINXCSYQHZ-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892835729 591197732 /nfs/dbraw/zinc/19/77/32/591197732.db2.gz DCAHNNUURIQQHZ-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000891724972 591200451 /nfs/dbraw/zinc/20/04/51/591200451.db2.gz BYMPWZMMKNQCEO-UHFFFAOYSA-N 2 0 349.479 1.435 20 0 EDADRP CCS(=O)(=O)c1ccc(N2CCC([NH2+]Cc3cnc[nH]3)CC2)cc1 ZINC000894210053 591231088 /nfs/dbraw/zinc/23/10/88/591231088.db2.gz ZZYVASVQORGZSC-UHFFFAOYSA-N 2 0 348.472 1.962 20 0 EDADRP CN(CC[NH2+]CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000894222797 591235440 /nfs/dbraw/zinc/23/54/40/591235440.db2.gz UQJBBBVUJSFSRH-UHFFFAOYSA-N 2 0 343.468 1.378 20 0 EDADRP COC(=O)c1sccc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892947255 591235791 /nfs/dbraw/zinc/23/57/91/591235791.db2.gz ASTCHSNIOPEVOU-CQSZACIVSA-N 2 0 337.489 1.793 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892951732 591237566 /nfs/dbraw/zinc/23/75/66/591237566.db2.gz QSAYBTBQDPIJBV-XHSDSOJGSA-N 2 0 330.444 1.447 20 0 EDADRP C[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)N1CCc2sccc2C1 ZINC000895675941 591244867 /nfs/dbraw/zinc/24/48/67/591244867.db2.gz WIALHXINEOHVJJ-CJNGLKHVSA-N 2 0 349.500 1.332 20 0 EDADRP Cc1c(C[NH2+][C@H]2CCCN(CCN3CCOCC3)C2)ccnc1F ZINC000895686615 591248573 /nfs/dbraw/zinc/24/85/73/591248573.db2.gz TUNMDIQUJGFORA-KRWDZBQOSA-N 2 0 336.455 1.415 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CCC[S@@](C)=O)c2c1OC(F)(F)O2 ZINC000894286024 591266399 /nfs/dbraw/zinc/26/63/99/591266399.db2.gz XZKGIZZIQJXQFD-HSZRJFAPSA-N 2 0 348.415 1.928 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850790 591287862 /nfs/dbraw/zinc/28/78/62/591287862.db2.gz KYWJSKPYFUAXAP-BRWVUGGUSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895855458 591288561 /nfs/dbraw/zinc/28/85/61/591288561.db2.gz SBNXOGLIWIYZGW-XHSDSOJGSA-N 2 0 337.508 1.580 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895959340 591313183 /nfs/dbraw/zinc/31/31/83/591313183.db2.gz YBPVTPUOLXKGCG-LJQANCHMSA-N 2 0 349.519 1.868 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c2c(nn1C)CCC2 ZINC000894457074 591316702 /nfs/dbraw/zinc/31/67/02/591316702.db2.gz WVKKUTNWBDHWST-INIZCTEOSA-N 2 0 333.524 1.757 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896024760 591323815 /nfs/dbraw/zinc/32/38/15/591323815.db2.gz VFBRIBSGSNKIGU-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CCO[C@H](CNc1nc(N)c2cc(OC)c(OC)cc2n1)C[NH+](C)C ZINC000896117098 591349194 /nfs/dbraw/zinc/34/91/94/591349194.db2.gz LFUQABALQDSNJU-LLVKDONJSA-N 2 0 349.435 1.608 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000896131684 591355059 /nfs/dbraw/zinc/35/50/59/591355059.db2.gz BVUKDPMFMVLEGR-SFHVURJKSA-N 2 0 335.492 1.574 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896375390 591442641 /nfs/dbraw/zinc/44/26/41/591442641.db2.gz IJCRIGFGTLZWFU-RBUKOAKNSA-N 2 0 343.471 1.488 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000897454078 591459788 /nfs/dbraw/zinc/45/97/88/591459788.db2.gz ACTFOLQVVRSLTB-YJBOKZPZSA-N 2 0 348.491 1.939 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000897469137 591470631 /nfs/dbraw/zinc/47/06/31/591470631.db2.gz DTWPXHNUCSPXTR-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ncc(Br)n3C2)CC1 ZINC000898719451 591483856 /nfs/dbraw/zinc/48/38/56/591483856.db2.gz FRERUFMSFXPLSJ-LBPRGKRZSA-N 2 0 327.270 1.892 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897615172 591588732 /nfs/dbraw/zinc/58/87/32/591588732.db2.gz QWRBQZVHFGSJAU-PKOBYXMFSA-N 2 0 343.471 1.345 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897640746 591602522 /nfs/dbraw/zinc/60/25/22/591602522.db2.gz QMYDOZAWOGPGKI-ROUUACIJSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000898990856 591627949 /nfs/dbraw/zinc/62/79/49/591627949.db2.gz PGJYCPFOBJSKQP-UHFFFAOYSA-N 2 0 335.492 1.335 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897752407 591643624 /nfs/dbraw/zinc/64/36/24/591643624.db2.gz ZWQVOUHBGSCPQM-INIZCTEOSA-N 2 0 335.448 1.281 20 0 EDADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000897105506 591742545 /nfs/dbraw/zinc/74/25/45/591742545.db2.gz MGWMQGXHGRJQAW-QGTPRVQTSA-N 2 0 333.476 1.182 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)Cc1ccccc1 ZINC000895458721 591764941 /nfs/dbraw/zinc/76/49/41/591764941.db2.gz RGYZFLLUXPSHOF-LJQANCHMSA-N 2 0 345.487 1.386 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115870 591787059 /nfs/dbraw/zinc/78/70/59/591787059.db2.gz WOYCZFFVSVSDDF-CQSZACIVSA-N 2 0 325.497 1.506 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000898102877 591798372 /nfs/dbraw/zinc/79/83/72/591798372.db2.gz PFQFBLPINAKPIQ-OAGGEKHMSA-N 2 0 325.497 1.625 20 0 EDADRP COC(=O)C[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000898303128 591864813 /nfs/dbraw/zinc/86/48/13/591864813.db2.gz QGFGFACVMKPKJL-SFHVURJKSA-N 2 0 348.487 1.986 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000900071881 591887941 /nfs/dbraw/zinc/88/79/41/591887941.db2.gz QDLFVWSWAPRYKL-MRXNPFEDSA-N 2 0 344.459 1.098 20 0 EDADRP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)c1Cl ZINC000898366989 591892616 /nfs/dbraw/zinc/89/26/16/591892616.db2.gz JOVKPXWWEVZEKZ-FRRDWIJNSA-N 2 0 337.855 1.631 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)C1 ZINC000902349255 591978705 /nfs/dbraw/zinc/97/87/05/591978705.db2.gz YIQHKRRQUCWIGZ-DOTOQJQBSA-N 2 0 327.538 1.562 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCC(C)(C)C2)CC[NH2+]CC1 ZINC000902454047 591999013 /nfs/dbraw/zinc/99/90/13/591999013.db2.gz FAJYLXDMPCLARF-HNNXBMFYSA-N 2 0 325.497 1.629 20 0 EDADRP COc1c(C)cnc(CNC(=O)CCN2CC[NH+](C(C)C)CC2)c1C ZINC000900445625 592028510 /nfs/dbraw/zinc/02/85/10/592028510.db2.gz RLQZLCNYYBSCPO-UHFFFAOYSA-N 2 0 348.491 1.739 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900530699 592048352 /nfs/dbraw/zinc/04/83/52/592048352.db2.gz ZULBVZCWALURBG-PKOBYXMFSA-N 2 0 333.476 1.552 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900612570 592069424 /nfs/dbraw/zinc/06/94/24/592069424.db2.gz KESBECMAVFDAKS-UHFFFAOYSA-N 2 0 344.463 1.044 20 0 EDADRP Cc1cc(N2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc(C)n1 ZINC000900638298 592078521 /nfs/dbraw/zinc/07/85/21/592078521.db2.gz WDEYHUFSLPSMAY-HNNXBMFYSA-N 2 0 329.448 1.274 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)C1 ZINC000903112454 592123007 /nfs/dbraw/zinc/12/30/07/592123007.db2.gz NHOLBEMEWVEJTD-UEBWMDNZSA-N 2 0 338.492 1.788 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3n(n1)CCC3)C2 ZINC000903113288 592123036 /nfs/dbraw/zinc/12/30/36/592123036.db2.gz VMJWDJYCHZCSFR-LDFOPSEGSA-N 2 0 332.492 1.960 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900826660 592138969 /nfs/dbraw/zinc/13/89/69/592138969.db2.gz MTKFIWCWYNKUCS-INIZCTEOSA-N 2 0 326.529 1.495 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900889674 592158407 /nfs/dbraw/zinc/15/84/07/592158407.db2.gz IVRSYDNJAOUZNQ-AOCRQIFASA-N 2 0 337.508 1.678 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)C1 ZINC000903463620 592172174 /nfs/dbraw/zinc/17/21/74/592172174.db2.gz GYTHGAXQWRVOSE-VVLHAWIVSA-N 2 0 327.428 1.231 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn3cc(Cl)ccc3n1)C2 ZINC000903493820 592186265 /nfs/dbraw/zinc/18/62/65/592186265.db2.gz XCADLDOCOMWOGP-PPHDSNJXSA-N 2 0 348.834 1.700 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)C2 ZINC000903495077 592186821 /nfs/dbraw/zinc/18/68/21/592186821.db2.gz UCBNYNYUHOBWML-KSFQGOMNSA-N 2 0 336.354 1.309 20 0 EDADRP [NH3+]Cc1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1 ZINC000904334460 592233274 /nfs/dbraw/zinc/23/32/74/592233274.db2.gz WNTQJFFKSYKQLD-UHFFFAOYSA-N 2 0 326.448 1.220 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000904367871 592239249 /nfs/dbraw/zinc/23/92/49/592239249.db2.gz FNHQRNYWVDCSDF-INIZCTEOSA-N 2 0 335.448 1.871 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000906657631 592239287 /nfs/dbraw/zinc/23/92/87/592239287.db2.gz NGFBCLPEJJXKBM-BBRMVZONSA-N 2 0 346.475 1.664 20 0 EDADRP COc1ccc(CN2CC[NH2+]CC[NH2+]CC2)c(Br)c1O ZINC000904396988 592243783 /nfs/dbraw/zinc/24/37/83/592243783.db2.gz URICJNMPSFKQHR-UHFFFAOYSA-N 2 0 344.253 1.158 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665247 592246901 /nfs/dbraw/zinc/24/69/01/592246901.db2.gz TUZJVBBXMBDVNB-HNNXBMFYSA-N 2 0 346.475 1.810 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906671160 592252543 /nfs/dbraw/zinc/25/25/43/592252543.db2.gz PNHJSKORTFYYHS-XJKSGUPXSA-N 2 0 330.432 1.169 20 0 EDADRP Cn1cc(CN2CC[NH2+]CC[NH2+]CC2)c(-c2cc3ccccc3o2)n1 ZINC000904397611 592252680 /nfs/dbraw/zinc/25/26/80/592252680.db2.gz GROHBBSYSPVTRE-UHFFFAOYSA-N 2 0 339.443 1.828 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)Nc1ccccc1C[NH3+])[NH+]1CCCCC1 ZINC000906660554 592269810 /nfs/dbraw/zinc/26/98/10/592269810.db2.gz KJGLYWDGZMJBNX-AWEZNQCLSA-N 2 0 332.448 1.465 20 0 EDADRP COc1cc2c(cc1OC)C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903718866 592280535 /nfs/dbraw/zinc/28/05/35/592280535.db2.gz SLTVKJWZPHDORL-LPHOPBHVSA-N 2 0 332.444 1.831 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726533 592285168 /nfs/dbraw/zinc/28/51/68/592285168.db2.gz MQOQKVRWARSWIS-AEFFLSMTSA-N 2 0 349.500 1.711 20 0 EDADRP COc1ccccc1N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733120 592288319 /nfs/dbraw/zinc/28/83/19/592288319.db2.gz JXVXRDXLCZFCOP-QFBILLFUSA-N 2 0 331.460 1.586 20 0 EDADRP COc1ccccc1[C@H]1C[NH2+]CCN1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903747019 592293462 /nfs/dbraw/zinc/29/34/62/592293462.db2.gz NPBHLWWBDOLHRT-SJLPKXTDSA-N 2 0 345.487 1.800 20 0 EDADRP Fc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1Cl ZINC000903751673 592295455 /nfs/dbraw/zinc/29/54/55/592295455.db2.gz LNWUZOVCHRXJSB-ZDUSSCGKSA-N 2 0 327.831 1.837 20 0 EDADRP Fc1cccc(CN2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903753833 592299088 /nfs/dbraw/zinc/29/90/88/592299088.db2.gz YQEIRVKXEGYLGO-RBUKOAKNSA-N 2 0 333.451 1.712 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904629412 592299165 /nfs/dbraw/zinc/29/91/65/592299165.db2.gz VNUNFFJKGZJREK-UHFFFAOYSA-N 2 0 333.480 1.683 20 0 EDADRP COc1ccccc1CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903737609 592300974 /nfs/dbraw/zinc/30/09/74/592300974.db2.gz TUNHHQURLNOZGR-QUCCMNQESA-N 2 0 345.487 1.581 20 0 EDADRP O=C1N[C@@H]2C[N@H+](Cc3ccccc3CF)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000903760675 592306310 /nfs/dbraw/zinc/30/63/10/592306310.db2.gz JKRPDZKHAOUOOV-MSOLQXFVSA-N 2 0 346.450 1.876 20 0 EDADRP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763009 592307557 /nfs/dbraw/zinc/30/75/57/592307557.db2.gz GSUSHWNMOHOZCU-DOIPELPJSA-N 2 0 341.499 1.961 20 0 EDADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000903766070 592309003 /nfs/dbraw/zinc/30/90/03/592309003.db2.gz NWYSJBRYCQCYRV-BZSNNMDCSA-N 2 0 332.492 1.880 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(CC(C)(C)C[NH3+])n3)c2)CC1 ZINC000904671386 592309366 /nfs/dbraw/zinc/30/93/66/592309366.db2.gz IXHATFLTRJBSPU-UHFFFAOYSA-N 2 0 330.436 1.411 20 0 EDADRP CC1(C)NC(=O)N(CC[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C1=O ZINC000903794528 592317411 /nfs/dbraw/zinc/31/74/11/592317411.db2.gz YOGOGNSLPTUWFV-UHFFFAOYSA-N 2 0 344.459 1.309 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000901287469 592326487 /nfs/dbraw/zinc/32/64/87/592326487.db2.gz PYPBGNXWYZRLQX-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908145485 592352708 /nfs/dbraw/zinc/35/27/08/592352708.db2.gz NGUIAUMAHBSBHT-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP CN(C)[S@@](C)(=O)=NCC1CC[NH+](C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903870400 592353576 /nfs/dbraw/zinc/35/35/76/592353576.db2.gz FRBLJZNYRFGQIP-ZHRRBRCNSA-N 2 0 330.542 1.663 20 0 EDADRP CN(C)[S@@](C)(=O)=NCC1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000903872313 592354470 /nfs/dbraw/zinc/35/44/70/592354470.db2.gz VYRLHYXBTVOVKC-QFIPXVFZSA-N 2 0 330.542 1.663 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)[C@@H]1CCC[NH2+]1 ZINC000903873325 592354612 /nfs/dbraw/zinc/35/46/12/592354612.db2.gz HBKHXGBFFWHMSY-VGUREELVSA-N 3 0 334.508 1.097 20 0 EDADRP CNC(=O)c1ccc(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903878449 592358680 /nfs/dbraw/zinc/35/86/80/592358680.db2.gz UOTMUQJJJQIMOD-INIZCTEOSA-N 2 0 343.475 1.338 20 0 EDADRP CC[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1N1CCOCC1 ZINC000903915079 592365589 /nfs/dbraw/zinc/36/55/89/592365589.db2.gz XYZFDGWNXSMXLF-JXFKEZNVSA-N 2 0 329.488 1.875 20 0 EDADRP COc1ccc([C@@H](CO)[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893062 592366631 /nfs/dbraw/zinc/36/66/31/592366631.db2.gz PLVXLVFLWLYZIO-HNAYVOBHSA-N 2 0 346.475 1.520 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903898222 592368879 /nfs/dbraw/zinc/36/88/79/592368879.db2.gz MNMRHGXOYYXGEG-IBGZPJMESA-N 2 0 342.487 1.071 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cnn1C ZINC000903908739 592373989 /nfs/dbraw/zinc/37/39/89/592373989.db2.gz PBSPICDEKZJPNA-CRAIPNDOSA-N 2 0 329.448 1.394 20 0 EDADRP COC(=O)[C@H]1CC12CC[NH+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903908513 592374203 /nfs/dbraw/zinc/37/42/03/592374203.db2.gz KIHXMYLEBSBISV-GOEBONIOSA-N 2 0 334.464 1.121 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2C[C@H](C)[NH2+]Cc3ccccc32)cnn1C ZINC000903919640 592376991 /nfs/dbraw/zinc/37/69/91/592376991.db2.gz PCUOTUHPWBYMJP-GOEBONIOSA-N 2 0 327.476 1.844 20 0 EDADRP [NH3+]CCC[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903918701 592377476 /nfs/dbraw/zinc/37/74/76/592377476.db2.gz FUBNCVRHSLIBQW-SJLPKXTDSA-N 3 0 328.464 1.772 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931422 592383725 /nfs/dbraw/zinc/38/37/25/592383725.db2.gz DHPSVOLWSSZECY-AEFFLSMTSA-N 3 0 333.524 1.558 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908208359 592385175 /nfs/dbraw/zinc/38/51/75/592385175.db2.gz PRIDRJVBRNRJCM-INIZCTEOSA-N 2 0 330.432 1.477 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917500 592389904 /nfs/dbraw/zinc/38/99/04/592389904.db2.gz MNOXBSBZMQEGCB-SQNIBIBYSA-N 3 0 333.524 1.558 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954366 592395703 /nfs/dbraw/zinc/39/57/03/592395703.db2.gz RSYWYQBNTRHEJM-YDHLFZDLSA-N 2 0 333.398 1.848 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(OC)cc1OC)C2 ZINC000903978627 592399679 /nfs/dbraw/zinc/39/96/79/592399679.db2.gz ISDSXNODBWISLS-IYOUNJFTSA-N 2 0 334.416 1.416 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2cccs2)C1 ZINC000906938270 592419347 /nfs/dbraw/zinc/41/93/47/592419347.db2.gz LXAOZBOAXGDCTB-UHFFFAOYSA-N 2 0 338.521 1.132 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc([C@@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)cc1 ZINC000904088295 592423685 /nfs/dbraw/zinc/42/36/85/592423685.db2.gz SQHGAHAQFAXQHQ-OWCLPIDISA-N 2 0 328.416 2.000 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC1(O)CCCCC1 ZINC000905126415 592427589 /nfs/dbraw/zinc/42/75/89/592427589.db2.gz FMKWXLWTDYMHNT-AEFFLSMTSA-N 2 0 340.508 1.523 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCOC[C@H]3C)CC2)C1 ZINC000908313632 592428973 /nfs/dbraw/zinc/42/89/73/592428973.db2.gz AFXOKRBUBPTEQO-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@]1(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244004 592474542 /nfs/dbraw/zinc/47/45/42/592474542.db2.gz OEIZNTACRZHBOR-VAMGGRTRSA-N 2 0 348.487 1.391 20 0 EDADRP C[C@@H](C(=O)NC1CCCC1)N1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316750 592475605 /nfs/dbraw/zinc/47/56/05/592475605.db2.gz RQVNQWGHAMEPHJ-QFBILLFUSA-N 2 0 336.524 1.441 20 0 EDADRP CCC[NH+]1CCN(c2ccc(NC(=O)NCC[NH3+])cc2Cl)CC1 ZINC000841080505 592480699 /nfs/dbraw/zinc/48/06/99/592480699.db2.gz RPIWCHZTFQWDBJ-UHFFFAOYSA-N 2 0 339.871 1.952 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000905340086 592510993 /nfs/dbraw/zinc/51/09/93/592510993.db2.gz SVIJEBXRLKGYBX-INIZCTEOSA-N 2 0 329.510 1.266 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905399970 592521096 /nfs/dbraw/zinc/52/10/96/592521096.db2.gz ORJLWJOZWBALRK-BTHPGYMESA-N 2 0 348.487 1.247 20 0 EDADRP C[C@@H](CNC(=O)c1cscc1C(=O)NC[C@H](C)[NH+](C)C)[NH+](C)C ZINC000906072416 592737902 /nfs/dbraw/zinc/73/79/02/592737902.db2.gz KCMKPJKEQOMXEI-RYUDHWBXSA-N 2 0 340.493 1.108 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000906218433 592760413 /nfs/dbraw/zinc/76/04/13/592760413.db2.gz KSINFQRMRUBJQQ-LSBZLQRGSA-N 2 0 340.471 1.980 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000909206869 592769342 /nfs/dbraw/zinc/76/93/42/592769342.db2.gz PRBOVOASJFDQBD-AYHJJNSGSA-N 2 0 336.524 1.534 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CN([C@@H]3C[C@@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589512 592852598 /nfs/dbraw/zinc/85/25/98/592852598.db2.gz CXKMFNBDUVBGLE-GUDVDZBRSA-N 2 0 333.451 1.630 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000906579746 592857506 /nfs/dbraw/zinc/85/75/06/592857506.db2.gz KRRAZIVXPUIZTF-MRXNPFEDSA-N 2 0 346.475 1.861 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+](C)C ZINC000906645159 592865870 /nfs/dbraw/zinc/86/58/70/592865870.db2.gz RFJKEFSTQWOMSA-MRXNPFEDSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C1CCCCC1 ZINC000906645796 592865911 /nfs/dbraw/zinc/86/59/11/592865911.db2.gz NZSRVHMVSMZPSG-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000911077210 592920348 /nfs/dbraw/zinc/92/03/48/592920348.db2.gz MZXRLJYQYNZLRB-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911188456 592945575 /nfs/dbraw/zinc/94/55/75/592945575.db2.gz YDUANKLBDJYMBE-OAGGEKHMSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000911216687 592958972 /nfs/dbraw/zinc/95/89/72/592958972.db2.gz UECGUJAMRSNASK-IIAWOOMASA-N 2 0 346.475 1.038 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911628673 592968947 /nfs/dbraw/zinc/96/89/47/592968947.db2.gz CPVPRMDIQWJXNL-HKUYNNGSSA-N 2 0 344.503 1.166 20 0 EDADRP C[C@H](NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000911727624 592989472 /nfs/dbraw/zinc/98/94/72/592989472.db2.gz YHOLKJSZQVZZJY-GMXVVIOVSA-N 2 0 343.393 1.868 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@H](c2ccccc2)OC1=O ZINC000809693580 593355243 /nfs/dbraw/zinc/35/52/43/593355243.db2.gz AAZDEKOPHMQEGR-IAGOWNOFSA-N 2 0 347.459 1.243 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NOC3CC[NH+](C)CC3)cc2)CC1 ZINC000816533083 593530298 /nfs/dbraw/zinc/53/02/98/593530298.db2.gz IJZMEJYMGNBUAN-UHFFFAOYSA-N 2 0 346.475 1.584 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000817892043 593645830 /nfs/dbraw/zinc/64/58/30/593645830.db2.gz JDJGSWLZBLFICJ-RDJZCZTQSA-N 2 0 334.460 1.939 20 0 EDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817911908 593647852 /nfs/dbraw/zinc/64/78/52/593647852.db2.gz NMIUEKWQCAMANF-QWHCGFSZSA-N 2 0 339.452 1.500 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2COc3ccccc3[C@@H]2O)CC[NH2+]CC1 ZINC000817930586 593649642 /nfs/dbraw/zinc/64/96/42/593649642.db2.gz DJUHJDTZTRLPJW-LXZKKBNFSA-N 2 0 348.443 1.392 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@H](O)c3ccccc3)ccn2)CC1 ZINC000818960789 593730568 /nfs/dbraw/zinc/73/05/68/593730568.db2.gz JOBKSYUUYNUWBU-GOSISDBHSA-N 2 0 326.444 1.657 20 0 EDADRP O[C@H](C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000818964920 593730676 /nfs/dbraw/zinc/73/06/76/593730676.db2.gz LGGJYOZRKXRBPS-HXUWFJFHSA-N 2 0 331.504 1.945 20 0 EDADRP O[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000818990008 593732751 /nfs/dbraw/zinc/73/27/51/593732751.db2.gz WHEFGFIBDGICRL-HXUWFJFHSA-N 2 0 340.471 1.917 20 0 EDADRP c1cc(N2CCC[N@@H+](Cc3ccc(-c4nn[nH]n4)cc3)CC2)cc[nH+]1 ZINC000823756962 593851848 /nfs/dbraw/zinc/85/18/48/593851848.db2.gz IBNQIWZPCHANKN-UHFFFAOYSA-N 2 0 335.415 1.974 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)N1CC[NH+](C)CC1 ZINC000820809963 593894911 /nfs/dbraw/zinc/89/49/11/593894911.db2.gz LXFWLKOBVMBGQL-CVEARBPZSA-N 2 0 328.464 1.554 20 0 EDADRP COC(=O)[C@H]1[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1(F)F ZINC000820856089 593906908 /nfs/dbraw/zinc/90/69/08/593906908.db2.gz IVSUDLLYXSTVIA-ZIAGYGMSSA-N 2 0 332.391 1.085 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2C[C@H](N3CCOCC3)[C@@H](C)C2)n1 ZINC000822191074 594006407 /nfs/dbraw/zinc/00/64/07/594006407.db2.gz FPNQBOCSTTVMDQ-JSGCOSHPSA-N 2 0 343.435 1.035 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579426 594041684 /nfs/dbraw/zinc/04/16/84/594041684.db2.gz ZFBGXXNFKLEPOV-NSHDSACASA-N 2 0 334.399 1.113 20 0 EDADRP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)c1 ZINC000828215821 594366572 /nfs/dbraw/zinc/36/65/72/594366572.db2.gz IJTMWPGWQGVLCZ-GOSISDBHSA-N 2 0 345.487 1.796 20 0 EDADRP O=[S@](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000826868345 594591169 /nfs/dbraw/zinc/59/11/69/594591169.db2.gz RGXAEUZYMZIXLP-JOCHJYFZSA-N 2 0 335.395 1.951 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000831509543 594679769 /nfs/dbraw/zinc/67/97/69/594679769.db2.gz FGEAGNICKMUFHC-SFHVURJKSA-N 2 0 346.475 1.534 20 0 EDADRP CCO[C@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C[NH+](C)C ZINC000831719784 594695943 /nfs/dbraw/zinc/69/59/43/594695943.db2.gz UTUQDUCRIIBQMO-HZPDHXFCSA-N 2 0 343.537 1.287 20 0 EDADRP CCO[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+](C)C ZINC000831758276 594700261 /nfs/dbraw/zinc/70/02/61/594700261.db2.gz XMRSNOLCXUOCMJ-QZTJIDSGSA-N 2 0 333.476 1.734 20 0 EDADRP Cc1ccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000841018906 594840355 /nfs/dbraw/zinc/84/03/55/594840355.db2.gz ZIDVMNLRXYEOAW-KRWDZBQOSA-N 2 0 330.476 1.314 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841305012 594883178 /nfs/dbraw/zinc/88/31/78/594883178.db2.gz DSMKDHDGDZTCOX-HUUCEWRRSA-N 2 0 330.432 1.317 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CCC[NH2+]1 ZINC000841847878 594964781 /nfs/dbraw/zinc/96/47/81/594964781.db2.gz WWBNQRYSQNRGJC-SFHVURJKSA-N 2 0 331.416 1.676 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCCCCCC[NH+](C)C ZINC000842177756 595029374 /nfs/dbraw/zinc/02/93/74/595029374.db2.gz JDQDQSNMZGBDHI-IAGOWNOFSA-N 2 0 342.528 1.595 20 0 EDADRP COc1ccc(CCNC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843353612 595084646 /nfs/dbraw/zinc/08/46/46/595084646.db2.gz FKBLWZWCXBRACB-UHFFFAOYSA-N 2 0 349.475 1.564 20 0 EDADRP C[N@H+](CC(=O)NCCOc1ccc2c(c1)OCO2)C1CCC([NH3+])CC1 ZINC000843354652 595084993 /nfs/dbraw/zinc/08/49/93/595084993.db2.gz AEWGURHMKLJSEN-UHFFFAOYSA-N 2 0 349.431 1.112 20 0 EDADRP C[N@H+](CCN(Cc1ccccc1)S(C)(=O)=O)C1CCC([NH3+])CC1 ZINC000843355293 595085693 /nfs/dbraw/zinc/08/56/93/595085693.db2.gz QGKYCRWZUONRIG-UHFFFAOYSA-N 2 0 339.505 1.650 20 0 EDADRP CCCCCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846223104 595178006 /nfs/dbraw/zinc/17/80/06/595178006.db2.gz OMDFXXQTHXTPPC-BBWFWOEESA-N 2 0 325.497 1.901 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000844172765 595291526 /nfs/dbraw/zinc/29/15/26/595291526.db2.gz YLAQNPGDTXWIQR-MOPGFXCFSA-N 2 0 347.503 1.824 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844190544 595297847 /nfs/dbraw/zinc/29/78/47/595297847.db2.gz BMPMNKJNRKKWLC-OAHLLOKOSA-N 2 0 332.448 1.146 20 0 EDADRP CC[N@H+](CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2)C1CCCCC1 ZINC000846687310 595302120 /nfs/dbraw/zinc/30/21/20/595302120.db2.gz DTVNLCGXGRIHRK-UHFFFAOYSA-N 2 0 333.480 1.830 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)nn1 ZINC000844227546 595310072 /nfs/dbraw/zinc/31/00/72/595310072.db2.gz YOXDCOVGZMDCLL-INIZCTEOSA-N 2 0 338.419 1.155 20 0 EDADRP CCN1C[C@H](C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)OC1=O ZINC000846843114 595325218 /nfs/dbraw/zinc/32/52/18/595325218.db2.gz YJUTUTGXPLKFPV-KRWDZBQOSA-N 2 0 341.496 1.898 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000847451257 595422313 /nfs/dbraw/zinc/42/23/13/595422313.db2.gz CKQSULWRXHXIDG-GOSISDBHSA-N 2 0 333.476 1.631 20 0 EDADRP Cn1cc(CCNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000849070719 595477716 /nfs/dbraw/zinc/47/77/16/595477716.db2.gz WPQDTHVPJICQIA-UHFFFAOYSA-N 2 0 340.475 1.741 20 0 EDADRP C[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C[NH+](C)C ZINC000849102480 595482161 /nfs/dbraw/zinc/48/21/61/595482161.db2.gz JBVWWKVDPAGHHT-INIZCTEOSA-N 3 0 331.508 1.963 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=[NH2+])N3CCC3)c2)C1 ZINC000849112120 595483943 /nfs/dbraw/zinc/48/39/43/595483943.db2.gz WCXCLAPRZPBWTE-INIZCTEOSA-N 2 0 329.448 1.114 20 0 EDADRP CC(C)(C)NC(=[NH2+])NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000849117444 595484822 /nfs/dbraw/zinc/48/48/22/595484822.db2.gz FZLYQYDNNDSTRB-UHFFFAOYSA-N 2 0 345.491 1.796 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000849117870 595485020 /nfs/dbraw/zinc/48/50/20/595485020.db2.gz YWFNUMTTZOOXAM-MRXNPFEDSA-N 2 0 346.475 1.259 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486029 595548202 /nfs/dbraw/zinc/54/82/02/595548202.db2.gz DOMKBQWYWKPQQF-ZWKOTPCHSA-N 2 0 347.507 1.446 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849523743 595558135 /nfs/dbraw/zinc/55/81/35/595558135.db2.gz XLUUVXKZXIXCON-BZSNNMDCSA-N 2 0 347.507 1.444 20 0 EDADRP CCC[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849521579 595558705 /nfs/dbraw/zinc/55/87/05/595558705.db2.gz SYYGBBPUIDNEOL-IAGOWNOFSA-N 2 0 333.480 1.010 20 0 EDADRP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541671 595560746 /nfs/dbraw/zinc/56/07/46/595560746.db2.gz QMJQPUSSKNZNAC-DLBZAZTESA-N 2 0 335.496 1.302 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852862999 595583765 /nfs/dbraw/zinc/58/37/65/595583765.db2.gz IUMSLWMFKBFFBL-AWEZNQCLSA-N 2 0 348.472 1.586 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852884484 595597438 /nfs/dbraw/zinc/59/74/38/595597438.db2.gz ZTKBVDYRYCRNQD-CQSZACIVSA-N 2 0 338.839 1.334 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccn2)(N2CCCCC2)CC1 ZINC000853100913 595665010 /nfs/dbraw/zinc/66/50/10/595665010.db2.gz PQXAKLXXGZQKJF-GOSISDBHSA-N 2 0 332.492 1.655 20 0 EDADRP Cc1nc(N[C@H]2CC[NH+](C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000853231667 595713930 /nfs/dbraw/zinc/71/39/30/595713930.db2.gz LEPGCIAIJYCSPL-KBPBESRZSA-N 2 0 343.479 1.477 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(F)c1 ZINC000858153294 595714163 /nfs/dbraw/zinc/71/41/63/595714163.db2.gz KOWJUFJXRGZMRO-KRWDZBQOSA-N 2 0 344.434 1.599 20 0 EDADRP O=C(N[C@@H]1CCn2ccnc21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000851662677 595873499 /nfs/dbraw/zinc/87/34/99/595873499.db2.gz ZHWPCKFRXOKVDC-XHSDSOJGSA-N 2 0 343.406 1.912 20 0 EDADRP CNC(=O)c1ccc(CN(C[C@H](O)C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000851709796 595892760 /nfs/dbraw/zinc/89/27/60/595892760.db2.gz ABWDDWTUXOIJPF-GOSISDBHSA-N 2 0 333.476 1.712 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856586438 596024887 /nfs/dbraw/zinc/02/48/87/596024887.db2.gz QSSYEAXJLASHAC-DLBZAZTESA-N 2 0 332.448 1.265 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000861548270 596025676 /nfs/dbraw/zinc/02/56/76/596025676.db2.gz OQTGKFRTAAFDTN-HOCLYGCPSA-N 2 0 334.464 1.821 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC000856625738 596039331 /nfs/dbraw/zinc/03/93/31/596039331.db2.gz GRWQCZQJDYBIKF-MAUKXSAKSA-N 2 0 346.475 1.465 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000861617620 596048146 /nfs/dbraw/zinc/04/81/46/596048146.db2.gz OHFYCFHXFSGKEF-MRXNPFEDSA-N 2 0 348.491 1.692 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1Cl ZINC000866658799 596283664 /nfs/dbraw/zinc/28/36/64/596283664.db2.gz ADTJMSWJYUEMCN-AWEZNQCLSA-N 2 0 336.867 1.687 20 0 EDADRP Cc1ccc(C)c(OCC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866708201 596303241 /nfs/dbraw/zinc/30/32/41/596303241.db2.gz LTXLQIAUHQBREF-NUJGCVRESA-N 2 0 345.443 1.549 20 0 EDADRP C[NH+](C)C1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CCC1 ZINC000120182948 596308626 /nfs/dbraw/zinc/30/86/26/596308626.db2.gz MNUNNLHHZQCLNQ-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CCCN(CCC)S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588663 596447888 /nfs/dbraw/zinc/44/78/88/596447888.db2.gz HLQKHWGTRPRRAP-HZPDHXFCSA-N 2 0 348.557 1.024 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C1 ZINC000869285964 596473449 /nfs/dbraw/zinc/47/34/49/596473449.db2.gz XIWHYEIERVHOPU-KBPBESRZSA-N 2 0 342.484 1.042 20 0 EDADRP COCC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000865474866 596585774 /nfs/dbraw/zinc/58/57/74/596585774.db2.gz DAYAXBZKRSHHCM-QLFBSQMISA-N 2 0 329.485 1.989 20 0 EDADRP CO[C@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)c1ccccc1 ZINC000863546817 596613921 /nfs/dbraw/zinc/61/39/21/596613921.db2.gz HIIPHBRKNAQBFW-FGTMMUONSA-N 2 0 345.443 1.631 20 0 EDADRP Cc1cc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)ccc1F ZINC000863641980 596640783 /nfs/dbraw/zinc/64/07/83/596640783.db2.gz HHJXTXVPGTVUMF-SJORKVTESA-N 2 0 333.407 1.891 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000863642836 596641199 /nfs/dbraw/zinc/64/11/99/596641199.db2.gz YPGQSMMMXGXRQH-FUHWJXTLSA-N 2 0 343.427 1.379 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863752552 596674002 /nfs/dbraw/zinc/67/40/02/596674002.db2.gz FLPUXEUEVSXLBV-MRXNPFEDSA-N 2 0 348.491 1.163 20 0 EDADRP c1cc(C[NH2+]C[C@@H]2CC3(CO2)CCOCC3)n(-c2cc[nH+]cc2)n1 ZINC000865778967 596680285 /nfs/dbraw/zinc/68/02/85/596680285.db2.gz RCTQXSZANIPGIK-KRWDZBQOSA-N 2 0 328.416 1.943 20 0 EDADRP COCc1csc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870016960 596708768 /nfs/dbraw/zinc/70/87/68/596708768.db2.gz COVQSZBPUIHEAY-HUUCEWRRSA-N 2 0 339.505 1.706 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C=O)ccc2F)C[C@H]1C[NH+](C)C ZINC000870016033 596708788 /nfs/dbraw/zinc/70/87/88/596708788.db2.gz AQXTVSYSQGMKJH-HUUCEWRRSA-N 2 0 335.423 1.450 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2Cc3ccc(F)cc32)C[C@H]1C[NH+](C)C ZINC000870019476 596710804 /nfs/dbraw/zinc/71/08/04/596710804.db2.gz YYTGPCZVCMHECQ-RKVPGOIHSA-N 2 0 333.451 1.663 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cc(F)ccc2F)C[C@H]1C[NH+](C)C ZINC000870021608 596712184 /nfs/dbraw/zinc/71/21/84/596712184.db2.gz QPOCZZXYSNEXHK-HUUCEWRRSA-N 2 0 339.430 1.705 20 0 EDADRP Cc1nn(C)c(C)c1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024070 596713775 /nfs/dbraw/zinc/71/37/75/596713775.db2.gz JBMRSFBQXZOKIQ-IAGOWNOFSA-N 2 0 349.523 1.167 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@@H](C)C1 ZINC000868180865 596713824 /nfs/dbraw/zinc/71/38/24/596713824.db2.gz UPNDRRXMIAHBQT-UWWPHRKUSA-N 2 0 332.448 1.420 20 0 EDADRP COc1ccc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024551 596714681 /nfs/dbraw/zinc/71/46/81/596714681.db2.gz RWALQUBYORHFHR-QZTJIDSGSA-N 2 0 347.503 1.826 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@]4(C3)CCC[NH2+]C4)cn2)CC1 ZINC000868190330 596716951 /nfs/dbraw/zinc/71/69/51/596716951.db2.gz JXWZSIXSMVUNOQ-GOSISDBHSA-N 2 0 346.479 1.757 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CCCC1 ZINC000868229584 596736014 /nfs/dbraw/zinc/73/60/14/596736014.db2.gz PMVNADUHMGHECA-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237663 596739963 /nfs/dbraw/zinc/73/99/63/596739963.db2.gz UVANZFJSKFQUNF-HYVNUMGLSA-N 2 0 344.459 1.430 20 0 EDADRP CCOC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000866012770 596758007 /nfs/dbraw/zinc/75/80/07/596758007.db2.gz PYUZWUZPXFDOHI-HZPDHXFCSA-N 2 0 334.464 1.434 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000868298805 596774610 /nfs/dbraw/zinc/77/46/10/596774610.db2.gz WNTZQSRVTFFZBV-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+](C)CCCCCC[NH3+] ZINC000872154984 596815677 /nfs/dbraw/zinc/81/56/77/596815677.db2.gz IGUUSKCQBDODCK-HNNXBMFYSA-N 2 0 334.464 1.852 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872249320 596853712 /nfs/dbraw/zinc/85/37/12/596853712.db2.gz KHMKWWBQNPKGQN-OCCSQVGLSA-N 2 0 346.397 1.359 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000872281993 596866632 /nfs/dbraw/zinc/86/66/32/596866632.db2.gz YVUMWFAADOSQCZ-NXOAAHMSSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(-n2cnnn2)c1 ZINC000866411091 596879825 /nfs/dbraw/zinc/87/98/25/596879825.db2.gz BXCUTZGKDKDEGH-HIFRSBDPSA-N 2 0 330.436 1.158 20 0 EDADRP C[C@@H]1CCC[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000875741013 596968248 /nfs/dbraw/zinc/96/82/48/596968248.db2.gz YECJOVRQURFUGL-QBPKDAKJSA-N 2 0 340.512 1.325 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)N2CCN(C[C@H](C)O)CC2)CC1 ZINC000876028526 597067744 /nfs/dbraw/zinc/06/77/44/597067744.db2.gz CHJZXFWITVTALL-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)Cc1ccccc1 ZINC000874432148 597075428 /nfs/dbraw/zinc/07/54/28/597075428.db2.gz HGXSUULDBHHFMO-YQVWRLOYSA-N 2 0 330.476 1.410 20 0 EDADRP COC(C)(C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000876074441 597080043 /nfs/dbraw/zinc/08/00/43/597080043.db2.gz FAGNEEVRWNSQOX-HUUCEWRRSA-N 2 0 328.501 1.182 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000873111388 597199553 /nfs/dbraw/zinc/19/95/53/597199553.db2.gz MSYHWTJTJIHGPW-IAGOWNOFSA-N 2 0 344.459 1.430 20 0 EDADRP [NH3+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000876503060 597223687 /nfs/dbraw/zinc/22/36/87/597223687.db2.gz XWCXCQWQOGACAO-CQSZACIVSA-N 2 0 344.381 1.117 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521110 597229529 /nfs/dbraw/zinc/22/95/29/597229529.db2.gz HHTXRJPDQRQGCS-JGGQBBKZSA-N 2 0 345.443 1.907 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873242363 597237423 /nfs/dbraw/zinc/23/74/23/597237423.db2.gz ARDHGQOSCLRVGR-GOSISDBHSA-N 2 0 339.447 1.737 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247665 597239651 /nfs/dbraw/zinc/23/96/51/597239651.db2.gz ROYDTYVSMRLOAU-QGZVFWFLSA-N 2 0 337.431 1.627 20 0 EDADRP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873289659 597248602 /nfs/dbraw/zinc/24/86/02/597248602.db2.gz KELGAPFFPHJIIG-QGZVFWFLSA-N 2 0 347.459 1.633 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000876723019 597305758 /nfs/dbraw/zinc/30/57/58/597305758.db2.gz KSLMXIURWOHWOP-GOEBONIOSA-N 2 0 333.480 1.578 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000876737932 597314808 /nfs/dbraw/zinc/31/48/08/597314808.db2.gz XCRZBSQSIJRJLD-HYVNUMGLSA-N 2 0 347.507 1.966 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876739453 597315720 /nfs/dbraw/zinc/31/57/20/597315720.db2.gz GEIRJSKHVBVJCR-SMDDNHRTSA-N 2 0 340.265 1.907 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876742287 597317545 /nfs/dbraw/zinc/31/75/45/597317545.db2.gz XARRDXQPSCGFSG-LSDHHAIUSA-N 2 0 333.480 1.605 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876755208 597323844 /nfs/dbraw/zinc/32/38/44/597323844.db2.gz SYVFRGDJVGBQSC-CVEARBPZSA-N 2 0 331.464 1.425 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775150 597335334 /nfs/dbraw/zinc/33/53/34/597335334.db2.gz PJXQGLNOAJZRBP-DKFQHHCZSA-N 2 0 349.519 1.941 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000876781981 597339073 /nfs/dbraw/zinc/33/90/73/597339073.db2.gz UCBPEGZQZGEBOC-VOSNQSNISA-N 2 0 342.487 1.784 20 0 EDADRP CN1CCC(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876785021 597339308 /nfs/dbraw/zinc/33/93/08/597339308.db2.gz ODYJJFUETVOCLV-HOTGVXAUSA-N 2 0 340.487 1.001 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000876785436 597339704 /nfs/dbraw/zinc/33/97/04/597339704.db2.gz YQYZSASMGGUFRN-UHYXFYNQSA-N 2 0 348.535 1.465 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876845838 597357257 /nfs/dbraw/zinc/35/72/57/597357257.db2.gz IEHRHINFVWZTQR-HXUWFJFHSA-N 2 0 335.451 1.878 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000876847424 597357958 /nfs/dbraw/zinc/35/79/58/597357958.db2.gz KOMDJCQYKMNZDS-RTBURBONSA-N 2 0 339.439 1.568 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876850678 597358805 /nfs/dbraw/zinc/35/88/05/597358805.db2.gz ZXURSODPZZQCPI-CZUORRHYSA-N 2 0 343.393 1.803 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000876901779 597378094 /nfs/dbraw/zinc/37/80/94/597378094.db2.gz HBFGTKNAGZYNJB-SZMVWBNQSA-N 2 0 332.492 1.292 20 0 EDADRP CN1CCOC[C@H]1CNC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000875340037 597390972 /nfs/dbraw/zinc/39/09/72/597390972.db2.gz UOVPTLLVWOWRTB-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000877015042 597412213 /nfs/dbraw/zinc/41/22/13/597412213.db2.gz XAFHCARRWZUZNO-LBPRGKRZSA-N 2 0 342.237 1.073 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC000877191980 597457537 /nfs/dbraw/zinc/45/75/37/597457537.db2.gz GEYCKTRRSCBDNN-QGZVFWFLSA-N 2 0 345.491 1.756 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C1 ZINC000875535795 597468728 /nfs/dbraw/zinc/46/87/28/597468728.db2.gz XMEIDIFZDFXKGJ-HOCLYGCPSA-N 2 0 338.496 1.148 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)C[C@H]2[NH3+])cc1 ZINC000877238274 597474606 /nfs/dbraw/zinc/47/46/06/597474606.db2.gz DHCXZPVULMBIPG-BBWFWOEESA-N 2 0 331.460 1.727 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000875554447 597475972 /nfs/dbraw/zinc/47/59/72/597475972.db2.gz QJPGYLTXSOSGTC-RBSFLKMASA-N 2 0 346.466 1.803 20 0 EDADRP CNC(=O)c1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)cc1 ZINC000877665624 597546061 /nfs/dbraw/zinc/54/60/61/597546061.db2.gz ZEHPUSZCCOGDJW-UHFFFAOYSA-N 2 0 333.476 1.836 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn(C[C@H]3CCCO3)nn1)CC2 ZINC000877683768 597547464 /nfs/dbraw/zinc/54/74/64/597547464.db2.gz IJSJHBSSULNCKT-QGZVFWFLSA-N 2 0 333.480 1.765 20 0 EDADRP COCCOc1cccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000877747394 597552881 /nfs/dbraw/zinc/55/28/81/597552881.db2.gz JTVFKKMADCBEMO-UHFFFAOYSA-N 2 0 347.503 1.924 20 0 EDADRP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878340762 597596830 /nfs/dbraw/zinc/59/68/30/597596830.db2.gz OJLYHVRIHKBCFV-AWEZNQCLSA-N 2 0 339.480 1.108 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCn2cnnn2)CC1 ZINC000878357886 597597601 /nfs/dbraw/zinc/59/76/01/597597601.db2.gz PONPZAHWWJPAEA-CQSZACIVSA-N 2 0 347.442 1.305 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883034625 597626385 /nfs/dbraw/zinc/62/63/85/597626385.db2.gz ZXEDMWKEGGWMBY-CYBMUJFWSA-N 2 0 326.510 1.656 20 0 EDADRP O[C@H](C[NH+]1CC[C@H]2CSC[C@@H]2C1)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879562762 597633691 /nfs/dbraw/zinc/63/36/91/597633691.db2.gz LNOQPVVDTQNJOS-BQJWPVKWSA-N 2 0 342.574 1.717 20 0 EDADRP CCCCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)C1(C)C ZINC000878599411 597650361 /nfs/dbraw/zinc/65/03/61/597650361.db2.gz MFZPFRYUXMTEON-CVEARBPZSA-N 2 0 325.497 1.770 20 0 EDADRP Cn1nc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C1CC1 ZINC000879605771 597654922 /nfs/dbraw/zinc/65/49/22/597654922.db2.gz RHNVBSAIMQNRER-HUUCEWRRSA-N 2 0 348.495 1.501 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883185840 597680707 /nfs/dbraw/zinc/68/07/07/597680707.db2.gz FRBGTFURXZCRKT-KZNAEPCWSA-N 2 0 327.513 1.291 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883584978 597813641 /nfs/dbraw/zinc/81/36/41/597813641.db2.gz BWCVXSOQIOLLED-RHSMWYFYSA-N 2 0 331.464 1.782 20 0 EDADRP COCC[N@@H+](CC(=O)N1CCCCCC1)CC1CC[NH+](C)CC1 ZINC000879122596 597826329 /nfs/dbraw/zinc/82/63/29/597826329.db2.gz NZQVHVMMEYDPDR-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000883650823 597847300 /nfs/dbraw/zinc/84/73/00/597847300.db2.gz WHFUYQDIJXHKGG-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000127634876 597874079 /nfs/dbraw/zinc/87/40/79/597874079.db2.gz HWDSGUZCBXTXCY-CYBMUJFWSA-N 2 0 331.416 1.534 20 0 EDADRP COC(=O)C[C@](C)([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000879441953 597918171 /nfs/dbraw/zinc/91/81/71/597918171.db2.gz JRNVXNMZFBJVPF-SFHVURJKSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000884033243 597973255 /nfs/dbraw/zinc/97/32/55/597973255.db2.gz KQLLNCNBIOTNSR-OASPWFOLSA-N 2 0 326.238 1.645 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000882496168 597977388 /nfs/dbraw/zinc/97/73/88/597977388.db2.gz YPYOWBXVUMDOLY-UONOGXRCSA-N 2 0 342.484 1.042 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000884195758 598023389 /nfs/dbraw/zinc/02/33/89/598023389.db2.gz YEENCFARQXSEOL-QGZVFWFLSA-N 2 0 343.475 1.192 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000884247169 598042450 /nfs/dbraw/zinc/04/24/50/598042450.db2.gz LTFMPJNMZNETDN-UHFFFAOYSA-N 2 0 329.400 1.875 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884287353 598055425 /nfs/dbraw/zinc/05/54/25/598055425.db2.gz YYEKVMOTRQLSDK-UHFFFAOYSA-N 2 0 345.491 1.472 20 0 EDADRP C[C@@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000884463688 598112455 /nfs/dbraw/zinc/11/24/55/598112455.db2.gz PMOQBGZOTREPKE-IUODEOHRSA-N 2 0 340.431 1.519 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000914058309 695046407 /nfs/dbraw/zinc/04/64/07/695046407.db2.gz RPWPOCZWLQWLDM-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CCO[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000914334757 695359824 /nfs/dbraw/zinc/35/98/24/695359824.db2.gz DRKTVUGMPOBXDB-JKSUJKDBSA-N 2 0 342.528 1.763 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@H]3C2)CC1 ZINC000992870406 695417526 /nfs/dbraw/zinc/41/75/26/695417526.db2.gz COCUHRHDZXCBGN-WDSOQIARSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1nnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)o1 ZINC000992911083 695446999 /nfs/dbraw/zinc/44/69/99/695446999.db2.gz VXQPGLYIDIGZLD-BZUAXINKSA-N 2 0 347.463 1.191 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992911123 695447266 /nfs/dbraw/zinc/44/72/66/695447266.db2.gz WGGBTKAZXOVSCC-XIRDDKMYSA-N 2 0 332.448 1.487 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCOCC3)[C@@H]2C1 ZINC000992922359 695455470 /nfs/dbraw/zinc/45/54/70/695455470.db2.gz TUWMLMOQIXCKOL-IPMKNSEASA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856859 700005446 /nfs/dbraw/zinc/00/54/46/700005446.db2.gz KNTPWILMRKRUGX-NLGTXKQRSA-N 2 0 335.492 1.334 20 0 EDADRP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000914444345 695549119 /nfs/dbraw/zinc/54/91/19/695549119.db2.gz TVDRZOGALQPXHV-JFIYKMOQSA-N 2 0 325.497 1.555 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000915098583 695739938 /nfs/dbraw/zinc/73/99/38/695739938.db2.gz PMBSNFDCIAPOFX-SJLPKXTDSA-N 2 0 337.508 1.699 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000915733432 695978907 /nfs/dbraw/zinc/97/89/07/695978907.db2.gz CNCFWCREHGCMCG-IXDOHACOSA-N 2 0 340.512 1.253 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NC1CN(C[C@@H]2CCC(F)(F)C2)C1 ZINC001031267350 696081628 /nfs/dbraw/zinc/08/16/28/696081628.db2.gz CYVVGBUEBIDFJW-GFCCVEGCSA-N 2 0 338.402 1.997 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@H]2C)CC1 ZINC000994135155 696529861 /nfs/dbraw/zinc/52/98/61/696529861.db2.gz QGUYETOLTJLNBC-DOTOQJQBSA-N 2 0 325.497 1.458 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000940008530 700110341 /nfs/dbraw/zinc/11/03/41/700110341.db2.gz RBVQIQHPYROOMT-MRXNPFEDSA-N 2 0 331.464 1.350 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994513312 696964466 /nfs/dbraw/zinc/96/44/66/696964466.db2.gz ZZALJWJBZGBYEM-CXAGYDPISA-N 2 0 345.447 1.911 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000917836315 697084531 /nfs/dbraw/zinc/08/45/31/697084531.db2.gz DWCYGOVZQJPCGY-INIZCTEOSA-N 2 0 335.452 1.058 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=S)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000920308355 697419149 /nfs/dbraw/zinc/41/91/49/697419149.db2.gz DZFHJYRUPKBXDG-KBPBESRZSA-N 2 0 328.526 1.044 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001031665976 697446950 /nfs/dbraw/zinc/44/69/50/697446950.db2.gz KBJVQXGPAVHAOZ-GOSISDBHSA-N 2 0 347.507 1.421 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031667087 697448469 /nfs/dbraw/zinc/44/84/69/697448469.db2.gz XLGSYZJDLMNHBP-INIZCTEOSA-N 2 0 336.505 1.606 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)CC[N@@H+]1C ZINC001031683264 697509749 /nfs/dbraw/zinc/50/97/49/697509749.db2.gz SZPKSGSFZFMJJA-RDTXWAMCSA-N 2 0 349.450 1.593 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC3CCOCC3)C2)CC[N@@H+]1C ZINC001031686463 697516866 /nfs/dbraw/zinc/51/68/66/697516866.db2.gz PRECKCCVTACVQA-ZWKOTPCHSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000921435921 697611738 /nfs/dbraw/zinc/61/17/38/697611738.db2.gz KPXPYGOLYKCFID-COXVUDFISA-N 2 0 336.480 1.022 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CCC[NH2+]C1 ZINC000237622957 698228930 /nfs/dbraw/zinc/22/89/30/698228930.db2.gz BAJRRGHKPVJWEG-APWZRJJASA-N 2 0 345.443 1.924 20 0 EDADRP CCc1nocc1CN1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766468 699062659 /nfs/dbraw/zinc/06/26/59/699062659.db2.gz JLMIRPKEMVBGTL-SJLPKXTDSA-N 2 0 346.475 1.802 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000939063947 699131092 /nfs/dbraw/zinc/13/10/92/699131092.db2.gz OSMFLYXYJOKEAR-KSSFIOAISA-N 2 0 345.491 1.108 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939128053 699206196 /nfs/dbraw/zinc/20/61/96/699206196.db2.gz HCKPDAXAOXGQFZ-CABCVRRESA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939136872 699223631 /nfs/dbraw/zinc/22/36/31/699223631.db2.gz CPIVSBITQCPKJT-RDJZCZTQSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137100 699224059 /nfs/dbraw/zinc/22/40/59/699224059.db2.gz FGYIMZWDASHAAE-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC2(C1)CC[NH+](CC1CCOCC1)CC2 ZINC001040938824 701581643 /nfs/dbraw/zinc/58/16/43/701581643.db2.gz JHDWMQUUOICCLT-UHFFFAOYSA-N 2 0 349.519 1.823 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@H]3CCCCO3)C2)ccc2c[nH+]cn21 ZINC001031800654 699320368 /nfs/dbraw/zinc/32/03/68/699320368.db2.gz XVPFYOSJFHULMN-QGZVFWFLSA-N 2 0 342.443 1.873 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939259423 699437278 /nfs/dbraw/zinc/43/72/78/699437278.db2.gz UOVQKXDROLYYHS-QAPCUYQASA-N 2 0 330.476 1.750 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1[NH2+]CC1CCCC1 ZINC000939293373 699480721 /nfs/dbraw/zinc/48/07/21/699480721.db2.gz SLKBWRSHCJEGOU-QAPCUYQASA-N 2 0 347.507 1.685 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939395243 699545241 /nfs/dbraw/zinc/54/52/41/699545241.db2.gz FSCKIEISJYGLFQ-IAGOWNOFSA-N 2 0 347.507 1.571 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC000939454370 699600973 /nfs/dbraw/zinc/60/09/73/699600973.db2.gz RJAXGFIXRDFHRA-CRAIPNDOSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939543830 699685079 /nfs/dbraw/zinc/68/50/79/699685079.db2.gz GCRYPTZOFWQEMF-RDJZCZTQSA-N 2 0 328.460 1.422 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000939551269 699700533 /nfs/dbraw/zinc/70/05/33/699700533.db2.gz RTLZIDBJNWPMEV-SWLSCSKDSA-N 2 0 332.448 1.324 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000995003604 699888399 /nfs/dbraw/zinc/88/83/99/699888399.db2.gz BRERRNGMWFGLET-DOTOQJQBSA-N 2 0 345.491 1.423 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cs1 ZINC000939755930 699922415 /nfs/dbraw/zinc/92/24/15/699922415.db2.gz SCUBTCHSKCRSRX-CJNGLKHVSA-N 2 0 336.505 1.526 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810404 699958635 /nfs/dbraw/zinc/95/86/35/699958635.db2.gz MXBOQMCSBIBJRG-QAPCUYQASA-N 2 0 347.507 1.541 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000939811828 699959700 /nfs/dbraw/zinc/95/97/00/699959700.db2.gz UZBWKHQTNXLIJR-SJLPKXTDSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000940150546 700277522 /nfs/dbraw/zinc/27/75/22/700277522.db2.gz XEOJSKBELIJFGK-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000940149317 700282285 /nfs/dbraw/zinc/28/22/85/700282285.db2.gz JMHPJTIXBUAPEZ-INIZCTEOSA-N 2 0 333.480 1.231 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000940159105 700291623 /nfs/dbraw/zinc/29/16/23/700291623.db2.gz BZJDGEQXJHQTND-INIZCTEOSA-N 2 0 348.495 1.160 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940163345 700297942 /nfs/dbraw/zinc/29/79/42/700297942.db2.gz ZOXCHTUNZBTJJK-KRWDZBQOSA-N 2 0 349.523 1.960 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940178114 700311856 /nfs/dbraw/zinc/31/18/56/700311856.db2.gz CIRSHYBNTOBLPI-OAHLLOKOSA-N 2 0 334.464 1.938 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000940232184 700397765 /nfs/dbraw/zinc/39/77/65/700397765.db2.gz OQGCEFVSJYORRM-FUHWJXTLSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC000995056315 700405588 /nfs/dbraw/zinc/40/55/88/700405588.db2.gz QUTMLMSHIKDEJM-CVEARBPZSA-N 2 0 345.491 1.726 20 0 EDADRP CCc1nnc(CN2CCC[C@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000948244729 700456067 /nfs/dbraw/zinc/45/60/67/700456067.db2.gz JBBXQDIVRQHHEQ-GJZGRUSLSA-N 2 0 349.479 1.539 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940327710 700504729 /nfs/dbraw/zinc/50/47/29/700504729.db2.gz OZTAFBSMVGRVBT-DOTOQJQBSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940327661 700504798 /nfs/dbraw/zinc/50/47/98/700504798.db2.gz MXWUWLBYTAEYJS-HOCLYGCPSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000940327953 700504973 /nfs/dbraw/zinc/50/49/73/700504973.db2.gz ARFJBPRBMIXKPJ-RDJZCZTQSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940327813 700505086 /nfs/dbraw/zinc/50/50/86/700505086.db2.gz VHYGIEYFRQDGPA-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329211 700508407 /nfs/dbraw/zinc/50/84/07/700508407.db2.gz RKJVPANVKGBRKU-TZMCWYRMSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076005 700641547 /nfs/dbraw/zinc/64/15/47/700641547.db2.gz BTSHGRFCLRGWFX-GDBMZVCRSA-N 2 0 334.464 1.699 20 0 EDADRP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995076155 700646137 /nfs/dbraw/zinc/64/61/37/700646137.db2.gz CEVOSVJVJNRVED-NVXWUHKLSA-N 2 0 345.491 1.501 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000940461683 700664832 /nfs/dbraw/zinc/66/48/32/700664832.db2.gz ICCNVDXWVIICAQ-HNNXBMFYSA-N 2 0 331.464 1.207 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)on1 ZINC000940461935 700665443 /nfs/dbraw/zinc/66/54/43/700665443.db2.gz SGWJMEAJBXIJLC-UHFFFAOYSA-N 2 0 336.436 1.250 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995078703 700671826 /nfs/dbraw/zinc/67/18/26/700671826.db2.gz LGYNPHUMFVQOTP-ZBFHGGJFSA-N 2 0 331.464 1.193 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC000995079152 700683602 /nfs/dbraw/zinc/68/36/02/700683602.db2.gz MLILJKGHWSBVCI-NVXWUHKLSA-N 2 0 347.507 1.445 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940621650 700782827 /nfs/dbraw/zinc/78/28/27/700782827.db2.gz UWBOULSCIAXZOK-HZPDHXFCSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)CC2(C)C)CC[N@@H+]1C ZINC000940757175 700892476 /nfs/dbraw/zinc/89/24/76/700892476.db2.gz UNZFYUXUYLPTJV-ARFHVFGLSA-N 2 0 325.497 1.580 20 0 EDADRP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000940801889 700907321 /nfs/dbraw/zinc/90/73/21/700907321.db2.gz YQTOAIXELAFOMZ-SJORKVTESA-N 2 0 337.508 1.602 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCOC2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865456 700947520 /nfs/dbraw/zinc/94/75/20/700947520.db2.gz ZFSMNWKMEPUXLM-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940857760 700956342 /nfs/dbraw/zinc/95/63/42/700956342.db2.gz CRGDAZSUHOYVNI-IAGOWNOFSA-N 2 0 339.524 1.706 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@H](CC)OC)C2)C1 ZINC001031919226 701044428 /nfs/dbraw/zinc/04/44/28/701044428.db2.gz OZXWLAOEDYPHSK-SJORKVTESA-N 2 0 325.497 1.581 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995116629 701064238 /nfs/dbraw/zinc/06/42/38/701064238.db2.gz XRZXMVLSFLVRER-CVEARBPZSA-N 2 0 349.479 1.484 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCCCC1 ZINC000941074342 701101553 /nfs/dbraw/zinc/10/15/53/701101553.db2.gz BQSVSRQIONGABI-SJORKVTESA-N 2 0 339.524 1.850 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093282 701137180 /nfs/dbraw/zinc/13/71/80/701137180.db2.gz MEWRAKMIYWBUOH-QAPCUYQASA-N 2 0 347.503 1.959 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)cc1 ZINC000941093578 701137646 /nfs/dbraw/zinc/13/76/46/701137646.db2.gz RIOQBUCMRGACMR-GOSISDBHSA-N 2 0 347.503 1.961 20 0 EDADRP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166012 701377049 /nfs/dbraw/zinc/37/70/49/701377049.db2.gz DCPGTUXQIBZJLN-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)[nH]1 ZINC000999169867 706599019 /nfs/dbraw/zinc/59/90/19/706599019.db2.gz WDESVLBKPROFAQ-DQPZFDDXSA-N 2 0 346.479 1.067 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238672 701429112 /nfs/dbraw/zinc/42/91/12/701429112.db2.gz ZMRWNJGENRSEPS-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)o1 ZINC000946518532 706604335 /nfs/dbraw/zinc/60/43/35/706604335.db2.gz VTSAYNMVRWNWQU-SOLBZPMBSA-N 2 0 346.475 1.748 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001032129179 701813204 /nfs/dbraw/zinc/81/32/04/701813204.db2.gz RSKHOTTZLWXCGE-ROUUACIJSA-N 2 0 337.508 1.581 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001032134284 701891101 /nfs/dbraw/zinc/89/11/01/701891101.db2.gz RKOUFZYKSBRSFN-AWEZNQCLSA-N 2 0 332.448 1.236 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995807349 702053876 /nfs/dbraw/zinc/05/38/76/702053876.db2.gz YAATZBOLYPCAMJ-HZPDHXFCSA-N 2 0 348.495 1.015 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995831620 702107093 /nfs/dbraw/zinc/10/70/93/702107093.db2.gz KRLMBAYPOSJJQX-DAXOMENPSA-N 2 0 334.464 1.650 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)nn1C ZINC000995831854 702107290 /nfs/dbraw/zinc/10/72/90/702107290.db2.gz LXBPURJELKXGCJ-DJIMGWMZSA-N 2 0 347.507 1.395 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001031980611 702141716 /nfs/dbraw/zinc/14/17/16/702141716.db2.gz WQTDQHRSUKXGRR-WMLDXEAASA-N 2 0 335.517 1.926 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(Cc2cccnc2C)C1 ZINC001032206416 702146772 /nfs/dbraw/zinc/14/67/72/702146772.db2.gz ZRSLHWMDYHIDSI-SFHVURJKSA-N 2 0 330.476 1.812 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CN(Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183046 702153383 /nfs/dbraw/zinc/15/33/83/702153383.db2.gz YJPHJSIYVAHGSH-ZDUSSCGKSA-N 2 0 339.842 1.979 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995894806 702197838 /nfs/dbraw/zinc/19/78/38/702197838.db2.gz KWWAPQCHDHQZMQ-MRXNPFEDSA-N 2 0 347.507 1.539 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995887193 702225450 /nfs/dbraw/zinc/22/54/50/702225450.db2.gz PGGBFLKAYFSPLW-CVEARBPZSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)on1 ZINC000995890508 702231635 /nfs/dbraw/zinc/23/16/35/702231635.db2.gz BNVUHSUXDNVXDX-HZPDHXFCSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890454 702231669 /nfs/dbraw/zinc/23/16/69/702231669.db2.gz BBSKQVKSEAAGGO-IRXDYDNUSA-N 2 0 330.476 1.748 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995917267 702235155 /nfs/dbraw/zinc/23/51/55/702235155.db2.gz UELFMIREMDUMCD-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000995923484 702248627 /nfs/dbraw/zinc/24/86/27/702248627.db2.gz GYDRNNDPEYTVBN-CVEARBPZSA-N 2 0 336.480 1.896 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC001032186625 702277501 /nfs/dbraw/zinc/27/75/01/702277501.db2.gz ULQAEELINHATIV-GOSISDBHSA-N 2 0 343.471 1.164 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccc(Cl)cc3)C2)C1 ZINC001032185915 702311916 /nfs/dbraw/zinc/31/19/16/702311916.db2.gz FHZGRZYGPDVYFQ-MRXNPFEDSA-N 2 0 335.879 1.882 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995974941 702360617 /nfs/dbraw/zinc/36/06/17/702360617.db2.gz IJVJYWVDTKLGKR-CVEARBPZSA-N 2 0 333.480 1.194 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995996786 702375635 /nfs/dbraw/zinc/37/56/35/702375635.db2.gz MRVLLWGJGZYRAR-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170839 702415005 /nfs/dbraw/zinc/41/50/05/702415005.db2.gz VNHYRGINDVXPIA-UKRRQHHQSA-N 2 0 334.489 1.566 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCCO2)CC1 ZINC001032665867 706678733 /nfs/dbraw/zinc/67/87/33/706678733.db2.gz JRPRSXFPHFBOOT-GBESFXJTSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)c1cnccn1 ZINC000996220198 702631747 /nfs/dbraw/zinc/63/17/47/702631747.db2.gz DFFHGRHRVKQFRZ-PBHICJAKSA-N 2 0 345.491 1.706 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)CC1 ZINC000996225140 702634521 /nfs/dbraw/zinc/63/45/21/702634521.db2.gz ZZWVINUQAZMNDO-OAHLLOKOSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996299743 702690685 /nfs/dbraw/zinc/69/06/85/702690685.db2.gz DLPQPAJBTGACGR-ZFWWWQNUSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)cn1 ZINC000996300044 702691072 /nfs/dbraw/zinc/69/10/72/702691072.db2.gz JDHOURLQQXTKTB-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300218 702691973 /nfs/dbraw/zinc/69/19/73/702691973.db2.gz KJNCVSLUJWALQV-NVXWUHKLSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301152 702693087 /nfs/dbraw/zinc/69/30/87/702693087.db2.gz QWCZCELQOPAQTG-YOEHRIQHSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(CC)n2)C(C)(C)C1)[NH+](C)C ZINC000996316120 702703979 /nfs/dbraw/zinc/70/39/79/702703979.db2.gz XMHGASWBDYRWOL-HOTGVXAUSA-N 2 0 335.496 1.570 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2 ZINC001040950924 702708156 /nfs/dbraw/zinc/70/81/56/702708156.db2.gz AZOINUGYHHLNBN-SJORKVTESA-N 2 0 337.508 1.556 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC1 ZINC000996450238 702795761 /nfs/dbraw/zinc/79/57/61/702795761.db2.gz STKDWVAZMWAFLD-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP COCC[N@@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434639 702841052 /nfs/dbraw/zinc/84/10/52/702841052.db2.gz DINBVZXGJMNAKT-MSOLQXFVSA-N 2 0 339.524 1.924 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000996519768 702855841 /nfs/dbraw/zinc/85/58/41/702855841.db2.gz LCMKMUXGCMKRFM-HOTGVXAUSA-N 2 0 335.492 1.478 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996521294 702856892 /nfs/dbraw/zinc/85/68/92/702856892.db2.gz VFMQYBITSUMFJS-GXTWGEPZSA-N 2 0 337.493 1.207 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996560623 702879175 /nfs/dbraw/zinc/87/91/75/702879175.db2.gz LEFMXEASDZMJBQ-GOSISDBHSA-N 2 0 346.450 1.643 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c(C)o1 ZINC000996606380 702909719 /nfs/dbraw/zinc/90/97/19/702909719.db2.gz HFAZSLIIWNHDBE-MLGOLLRUSA-N 2 0 334.464 1.712 20 0 EDADRP CC(C)C[NH2+][C@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996624693 702922409 /nfs/dbraw/zinc/92/24/09/702922409.db2.gz PVBOEYAFJHWSQU-HOTGVXAUSA-N 2 0 325.497 1.437 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996625354 702929053 /nfs/dbraw/zinc/92/90/53/702929053.db2.gz RJTPFNYRWNXYOO-NVXWUHKLSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3ccnc3)C2)n1 ZINC000995248150 702942168 /nfs/dbraw/zinc/94/21/68/702942168.db2.gz KCPBCMZGPCDPTE-KBPBESRZSA-N 2 0 333.461 1.723 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1csnn1 ZINC000996662194 702959689 /nfs/dbraw/zinc/95/96/89/702959689.db2.gz DJUQGNBHRUCMAA-GFCCVEGCSA-N 2 0 337.493 1.664 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996665747 702968097 /nfs/dbraw/zinc/96/80/97/702968097.db2.gz ZFEMVILHBOTBQB-BBRMVZONSA-N 2 0 348.495 1.629 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996674720 702970005 /nfs/dbraw/zinc/97/00/05/702970005.db2.gz WATMCVPRWKCUCS-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000996669593 702971340 /nfs/dbraw/zinc/97/13/40/702971340.db2.gz PNFFXMOGYHNVIP-KRWDZBQOSA-N 2 0 348.495 1.159 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996688256 702985769 /nfs/dbraw/zinc/98/57/69/702985769.db2.gz HKBAROBIGDRUNT-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996692862 702990255 /nfs/dbraw/zinc/99/02/55/702990255.db2.gz ZLFLHOBRKDMWMR-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000996717674 703011217 /nfs/dbraw/zinc/01/12/17/703011217.db2.gz BVCJVJYVLCSWCH-INIZCTEOSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001032027077 703046645 /nfs/dbraw/zinc/04/66/45/703046645.db2.gz MWIONZFLGYKPNP-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N1CCC([NH2+]CCc2ccns2)CC1)C12CCC[NH+]1CCC2 ZINC000996765840 703057107 /nfs/dbraw/zinc/05/71/07/703057107.db2.gz HPPCLTPVVVDSDH-UHFFFAOYSA-N 2 0 348.516 1.895 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1csnn1 ZINC000996768684 703060416 /nfs/dbraw/zinc/06/04/16/703060416.db2.gz DMAMLALFYIXYOU-ZDUSSCGKSA-N 2 0 349.504 1.808 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597982 703112700 /nfs/dbraw/zinc/11/27/00/703112700.db2.gz PDXOVXUKUMOXTR-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCCC2)C1 ZINC001032331925 703113202 /nfs/dbraw/zinc/11/32/02/703113202.db2.gz MUHYKQUEPXDHQH-GBESFXJTSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)CCc3nccn3C)CC2)nc1 ZINC000996836577 703123985 /nfs/dbraw/zinc/12/39/85/703123985.db2.gz XWZMQKIVUSGWLM-UHFFFAOYSA-N 2 0 342.447 1.232 20 0 EDADRP CC[NH2+]C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC000996854281 703132787 /nfs/dbraw/zinc/13/27/87/703132787.db2.gz GIBYGRWLQOSBKW-ZIAGYGMSSA-N 2 0 335.414 1.965 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]Cc2nncs2)CC1)[NH+]1CCCC1 ZINC000996868012 703140665 /nfs/dbraw/zinc/14/06/65/703140665.db2.gz NLXIWJSJLUIPRI-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC000996951826 703222522 /nfs/dbraw/zinc/22/25/22/703222522.db2.gz IMYOPJKPLYQFKM-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)ncn1 ZINC000996966285 703226297 /nfs/dbraw/zinc/22/62/97/703226297.db2.gz SFKKBWXJZLELFR-QGZVFWFLSA-N 2 0 333.480 1.452 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)c1 ZINC000996995834 703252733 /nfs/dbraw/zinc/25/27/33/703252733.db2.gz RSBLACXTMBQOHZ-INIZCTEOSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)oc1C ZINC000996995818 703252904 /nfs/dbraw/zinc/25/29/04/703252904.db2.gz RAKZWVPFGNHALD-CYBMUJFWSA-N 2 0 334.464 1.856 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997009305 703270090 /nfs/dbraw/zinc/27/00/90/703270090.db2.gz ZNJBDHLBKVEHMY-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cn(CC3CC3)nn2)CC1)[NH+](C)C ZINC000997010160 703270719 /nfs/dbraw/zinc/27/07/19/703270719.db2.gz QKZLXCXUNARGDF-KRWDZBQOSA-N 2 0 348.495 1.109 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nc(C3CC3)nn2C)CC1)[NH+](C)C ZINC000997014345 703273883 /nfs/dbraw/zinc/27/38/83/703273883.db2.gz HXMNAWYDUSVYFK-HNNXBMFYSA-N 2 0 348.495 1.113 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000997062303 703313435 /nfs/dbraw/zinc/31/34/35/703313435.db2.gz MNJCXJSIYARTQJ-QGZVFWFLSA-N 2 0 348.495 1.159 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921529213 703389410 /nfs/dbraw/zinc/38/94/10/703389410.db2.gz YVSNFKWQRHGJLH-UHFFFAOYSA-N 2 0 344.301 1.680 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053107 703402374 /nfs/dbraw/zinc/40/23/74/703402374.db2.gz ORFUKDBAMIAXIU-HNAYVOBHSA-N 2 0 345.487 1.977 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)[nH]1 ZINC000997142682 703405795 /nfs/dbraw/zinc/40/57/95/703405795.db2.gz GSIVNKRWSJFGBQ-UHFFFAOYSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997185303 703474135 /nfs/dbraw/zinc/47/41/35/703474135.db2.gz GCDKDECTCSAGCJ-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC000997359194 703589857 /nfs/dbraw/zinc/58/98/57/703589857.db2.gz GNMZUYJPAZCDQG-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997366044 703599814 /nfs/dbraw/zinc/59/98/14/703599814.db2.gz XUXMIVASNZQAQK-UHFFFAOYSA-N 2 0 345.491 1.742 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1)C1CCC1 ZINC001032447973 703631446 /nfs/dbraw/zinc/63/14/46/703631446.db2.gz GTKAKOBJAXHCBM-GJZGRUSLSA-N 2 0 327.419 1.801 20 0 EDADRP Cc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997391501 703658378 /nfs/dbraw/zinc/65/83/78/703658378.db2.gz XWUARLKNCZHXHS-CQSZACIVSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997421118 703670730 /nfs/dbraw/zinc/67/07/30/703670730.db2.gz NWSSGLKLMQYCGM-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997606496 703899528 /nfs/dbraw/zinc/89/95/28/703899528.db2.gz LQQDSEFSJBVFPN-KRWDZBQOSA-N 2 0 334.439 1.643 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004201891 703932063 /nfs/dbraw/zinc/93/20/63/703932063.db2.gz SEXFCMYQAOTWFA-HNNXBMFYSA-N 2 0 333.476 1.977 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCN(Cc2ccn(C)n2)CC1 ZINC000997642059 703947963 /nfs/dbraw/zinc/94/79/63/703947963.db2.gz MEYIRCVCGRLYOX-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001004208475 703969310 /nfs/dbraw/zinc/96/93/10/703969310.db2.gz PQZMBUBFFWWJMJ-SFHVURJKSA-N 2 0 347.507 1.684 20 0 EDADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530908 704036502 /nfs/dbraw/zinc/03/65/02/704036502.db2.gz XIWZSFJHNCFZDU-XRGNVEDSSA-N 2 0 347.503 1.571 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033099945 704224711 /nfs/dbraw/zinc/22/47/11/704224711.db2.gz TUXAESKYVUXYCC-FGTMMUONSA-N 2 0 347.507 1.226 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592297 704242759 /nfs/dbraw/zinc/24/27/59/704242759.db2.gz GUABXZVRVRQEFO-FCGDIQPGSA-N 2 0 349.519 1.678 20 0 EDADRP CN(c1ccccc1C[NH2+]CC[C@H]1CNC(=O)C1)C1CC[NH+](C)CC1 ZINC000922780535 704333256 /nfs/dbraw/zinc/33/32/56/704333256.db2.gz JBMJGIHKSBBNJP-MRXNPFEDSA-N 2 0 344.503 1.833 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000922846017 704421757 /nfs/dbraw/zinc/42/17/57/704421757.db2.gz JWYMBAFETLSTAC-UHFFFAOYSA-N 2 0 337.489 1.831 20 0 EDADRP Cc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CN(C)CCO3)CC2(C)C)c1 ZINC000995593508 704560115 /nfs/dbraw/zinc/56/01/15/704560115.db2.gz ZMGBGYXGZOUQOM-ZWKOTPCHSA-N 2 0 345.487 1.652 20 0 EDADRP CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000997708505 704599746 /nfs/dbraw/zinc/59/97/46/704599746.db2.gz QXHOVHCTRRQLSG-BHYGNILZSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997783076 704685242 /nfs/dbraw/zinc/68/52/42/704685242.db2.gz CRZHERSGDNSKNL-SFHVURJKSA-N 2 0 346.475 1.653 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000997784470 704688410 /nfs/dbraw/zinc/68/84/10/704688410.db2.gz PKINAYUEYMCAJA-SFHVURJKSA-N 2 0 346.475 1.653 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nonc3C)CC2)CC[N@@H+]1C ZINC000997792061 704700364 /nfs/dbraw/zinc/70/03/64/704700364.db2.gz FORQUGLELGWROV-DOTOQJQBSA-N 2 0 349.479 1.437 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000997831435 704749345 /nfs/dbraw/zinc/74/93/45/704749345.db2.gz RTQOIXGRWCRKEX-RDTXWAMCSA-N 2 0 345.491 1.706 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997835851 704753484 /nfs/dbraw/zinc/75/34/84/704753484.db2.gz CFSLHZLWIFFPHK-HNNXBMFYSA-N 2 0 345.491 1.233 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997866993 704772109 /nfs/dbraw/zinc/77/21/09/704772109.db2.gz YAZTXZGHCMXQGK-OAHLLOKOSA-N 2 0 336.505 1.956 20 0 EDADRP CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997866377 704772966 /nfs/dbraw/zinc/77/29/66/704772966.db2.gz SJOBQWZCNWQLFV-KRWDZBQOSA-N 2 0 348.495 1.111 20 0 EDADRP COc1ccnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)c1 ZINC000944944317 704797251 /nfs/dbraw/zinc/79/72/51/704797251.db2.gz MPMZYKUGZIJOFA-QAPCUYQASA-N 2 0 346.475 1.513 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCCCO2)CC[N@@H+]1C ZINC001032587181 705105360 /nfs/dbraw/zinc/10/53/60/705105360.db2.gz OQWBVGJNFCXWNB-VPAKFMSCSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000998031361 705216577 /nfs/dbraw/zinc/21/65/77/705216577.db2.gz KPDNABZQDUYXHY-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000998086758 705306811 /nfs/dbraw/zinc/30/68/11/705306811.db2.gz SGSKQNCMTLQUAF-ZBFHGGJFSA-N 2 0 333.480 1.706 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000998265418 705632397 /nfs/dbraw/zinc/63/23/97/705632397.db2.gz MGPQYRFNNOAMNK-ZBFHGGJFSA-N 2 0 331.464 1.318 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC000998269323 705651926 /nfs/dbraw/zinc/65/19/26/705651926.db2.gz MIVAKVLQTBDHLJ-ZDUSSCGKSA-N 2 0 334.468 1.098 20 0 EDADRP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001032629388 705751097 /nfs/dbraw/zinc/75/10/97/705751097.db2.gz UIPFMKUSVHCDFN-SAGYGOJTSA-N 2 0 349.519 1.819 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC000998719550 706151195 /nfs/dbraw/zinc/15/11/95/706151195.db2.gz GUZXIAJLJZZLEK-MSOLQXFVSA-N 2 0 330.476 1.873 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998731335 706164377 /nfs/dbraw/zinc/16/43/77/706164377.db2.gz NZTHUFPKUSLLAA-GDBMZVCRSA-N 2 0 334.464 1.720 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC000998763203 706202330 /nfs/dbraw/zinc/20/23/30/706202330.db2.gz MHGFWPRXXCYQTQ-VJFUWPCTSA-N 2 0 347.507 1.680 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3CC)C2)CC[N@@H+]1C ZINC000998794922 706241821 /nfs/dbraw/zinc/24/18/21/706241821.db2.gz TULHMBSWSLWGMB-SJJHQCBESA-N 2 0 347.507 1.712 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000998864860 706294285 /nfs/dbraw/zinc/29/42/85/706294285.db2.gz CMAZEUSZEDVPHC-VMWRSERWSA-N 2 0 347.507 1.682 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2cnn(C)n2)C1 ZINC000999036240 706451152 /nfs/dbraw/zinc/45/11/52/706451152.db2.gz QJYNRPRXMXQEJJ-BDVYOWHSSA-N 2 0 348.495 1.015 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000999049339 706469739 /nfs/dbraw/zinc/46/97/39/706469739.db2.gz DSCJGOPDERLHPR-OFLPRAFFSA-N 2 0 335.492 1.763 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946517911 706554890 /nfs/dbraw/zinc/55/48/90/706554890.db2.gz MBFOERVUPPTXPH-BDXSIMOUSA-N 2 0 335.492 1.288 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946518040 706555052 /nfs/dbraw/zinc/55/50/52/706555052.db2.gz MVQZZJZPYYUMQV-UXLLHSPISA-N 2 0 332.448 1.439 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000999347835 706859647 /nfs/dbraw/zinc/85/96/47/706859647.db2.gz LMBUCHNSVPOOBS-AQFXKWCLSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999349808 706861769 /nfs/dbraw/zinc/86/17/69/706861769.db2.gz VAZKRBOMNKRRHT-INIZCTEOSA-N 2 0 330.476 1.955 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362374 706875578 /nfs/dbraw/zinc/87/55/78/706875578.db2.gz AOHAARPIRDZVTC-IRXDYDNUSA-N 2 0 333.480 1.324 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999363123 706877067 /nfs/dbraw/zinc/87/70/67/706877067.db2.gz FZHBZLHUEQGRTK-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999371973 706886615 /nfs/dbraw/zinc/88/66/15/706886615.db2.gz NQNFLDKBAJYTAP-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1)C1CCC1 ZINC000999372566 706887120 /nfs/dbraw/zinc/88/71/20/706887120.db2.gz CIASUBSSNDSIRS-HNNXBMFYSA-N 2 0 345.491 1.394 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC000999398344 706892885 /nfs/dbraw/zinc/89/28/85/706892885.db2.gz COZSQZFCYPUCFH-HZPDHXFCSA-N 2 0 334.464 1.938 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999404378 706912851 /nfs/dbraw/zinc/91/28/51/706912851.db2.gz VZFXPQNTDRPXRQ-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)[nH]3)C2)C1 ZINC000999409897 706919850 /nfs/dbraw/zinc/91/98/50/706919850.db2.gz USVAHSZUXLCHQB-GRTSSRMGSA-N 2 0 346.479 1.103 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC000999434445 706941555 /nfs/dbraw/zinc/94/15/55/706941555.db2.gz NCUROQSFCQGFIV-ROUUACIJSA-N 2 0 349.523 1.612 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999506408 707003800 /nfs/dbraw/zinc/00/38/00/707003800.db2.gz AOGGPWKKTXSUCI-SJORKVTESA-N 2 0 346.475 1.655 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999506455 707004078 /nfs/dbraw/zinc/00/40/78/707004078.db2.gz AUOOYACVRYJXIL-ZBFHGGJFSA-N 2 0 336.505 1.751 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999511998 707010469 /nfs/dbraw/zinc/01/04/69/707010469.db2.gz OOSAQYCBPQAFMO-IAGOWNOFSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000999512412 707010954 /nfs/dbraw/zinc/01/09/54/707010954.db2.gz PPHRNNDTLPRIPU-MSOLQXFVSA-N 2 0 347.507 1.565 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999515138 707014591 /nfs/dbraw/zinc/01/45/91/707014591.db2.gz XRTKAQHDIWEFFO-IRXDYDNUSA-N 2 0 333.480 1.028 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC000999488624 707024654 /nfs/dbraw/zinc/02/46/54/707024654.db2.gz GXBMUCWGADGDBC-INIZCTEOSA-N 2 0 346.475 1.940 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[NH+](C)C ZINC000999489198 707024903 /nfs/dbraw/zinc/02/49/03/707024903.db2.gz INKVQNYTAUQSKE-CRAIPNDOSA-N 2 0 347.507 1.640 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)CC1 ZINC000999598393 707101071 /nfs/dbraw/zinc/10/10/71/707101071.db2.gz NDALLOHWRQDQQS-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)on1 ZINC000999599984 707102551 /nfs/dbraw/zinc/10/25/51/707102551.db2.gz XGNCLIFHNFMSFU-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681507 707166740 /nfs/dbraw/zinc/16/67/40/707166740.db2.gz HJTIXYGXOHRPKI-ODIFPOPNSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999681443 707166800 /nfs/dbraw/zinc/16/68/00/707166800.db2.gz GLTUIIYIOFXEJI-ZLPCBKJTSA-N 2 0 330.476 1.811 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000999689324 707245252 /nfs/dbraw/zinc/24/52/52/707245252.db2.gz RNEPXCDIVBEHTF-QQFBHYJXSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999711291 707306353 /nfs/dbraw/zinc/30/63/53/707306353.db2.gz WDQRPKAFLNHGMT-UHFFFAOYSA-N 2 0 348.516 1.935 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033271723 707325109 /nfs/dbraw/zinc/32/51/09/707325109.db2.gz KKHOFSXNCFLGAF-PBHICJAKSA-N 2 0 328.416 1.517 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033180086 707337848 /nfs/dbraw/zinc/33/78/48/707337848.db2.gz CXYWEFSROPPHCF-KRWDZBQOSA-N 2 0 349.519 1.964 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794830 707365792 /nfs/dbraw/zinc/36/57/92/707365792.db2.gz WEQMARIMTLWZKR-AEFFLSMTSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nccn1CC(=O)N(C)C1CC(N[C@@H](C)c2csnn2)C1 ZINC000999836193 707471335 /nfs/dbraw/zinc/47/13/35/707471335.db2.gz IWOGUYRPRWJQFH-PKSQDBQZSA-N 2 0 334.449 1.383 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870287 707512610 /nfs/dbraw/zinc/51/26/10/707512610.db2.gz DNTLNCVDCLOCBC-QGZVFWFLSA-N 2 0 347.507 1.684 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000999874222 707520070 /nfs/dbraw/zinc/52/00/70/707520070.db2.gz YJSZHIHXGUBSPL-INIZCTEOSA-N 2 0 333.480 1.375 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC000999975505 707589661 /nfs/dbraw/zinc/58/96/61/707589661.db2.gz UCFYTIKSQQRVJO-IAGOWNOFSA-N 2 0 347.507 1.623 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033354004 707609471 /nfs/dbraw/zinc/60/94/71/707609471.db2.gz LKPBCWKKBKZKKF-QZTJIDSGSA-N 2 0 347.507 1.538 20 0 EDADRP CC[N@@H+]1CC[C@H](n2cc(CNC(=O)C34CCC[NH+](CCC3)C4)nn2)C1 ZINC000999991867 707667900 /nfs/dbraw/zinc/66/79/00/707667900.db2.gz LXPUWVAAMGIAPM-INIZCTEOSA-N 2 0 346.479 1.037 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H](O)c2ccccc2)C1 ZINC001032731185 707732074 /nfs/dbraw/zinc/73/20/74/707732074.db2.gz CSVJZXPNVHYJCQ-DSLXNQLJSA-N 2 0 343.471 1.347 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001032733898 707748353 /nfs/dbraw/zinc/74/83/53/707748353.db2.gz LZYGUFRNXHQYEK-OKZBNKHCSA-N 2 0 347.503 1.573 20 0 EDADRP Cc1nc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)Cc2cncn2C)co1 ZINC001004980613 707823190 /nfs/dbraw/zinc/82/31/90/707823190.db2.gz KTYUJDNNWWWPTM-GUYCJALGSA-N 2 0 345.447 1.818 20 0 EDADRP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989047 707846714 /nfs/dbraw/zinc/84/67/14/707846714.db2.gz DRVXXASSXLMNRH-RDJZCZTQSA-N 2 0 333.480 1.375 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033427249 707851432 /nfs/dbraw/zinc/85/14/32/707851432.db2.gz ZBGIBACTPCMVPQ-MRXNPFEDSA-N 2 0 337.508 1.820 20 0 EDADRP CC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001033489984 707983965 /nfs/dbraw/zinc/98/39/65/707983965.db2.gz LVFWLNMPJVKRST-HTWSVDAQSA-N 2 0 347.507 1.637 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC[C@H]([NH2+]Cc3ccccn3)C2)CC1 ZINC001000571440 708052645 /nfs/dbraw/zinc/05/26/45/708052645.db2.gz JCGDDMYUPLTHCS-KRWDZBQOSA-N 2 0 346.475 1.273 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001033531543 708154667 /nfs/dbraw/zinc/15/46/67/708154667.db2.gz LONYVDWZTRVUKX-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCO)C1 ZINC001033576099 708251336 /nfs/dbraw/zinc/25/13/36/708251336.db2.gz TZBLKILFUPZBFM-IAGOWNOFSA-N 2 0 325.497 1.556 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1 ZINC001001795491 708310198 /nfs/dbraw/zinc/31/01/98/708310198.db2.gz USNNIPLDPHYZSE-SFHVURJKSA-N 2 0 337.508 1.726 20 0 EDADRP CCc1cnc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001001832791 708358351 /nfs/dbraw/zinc/35/83/51/708358351.db2.gz HPLKBYHQSJQVHX-WMLDXEAASA-N 2 0 348.491 1.763 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043280 708533681 /nfs/dbraw/zinc/53/36/81/708533681.db2.gz MZSTXQHQRCLTLD-UHFFFAOYSA-N 2 0 342.487 1.814 20 0 EDADRP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002128121 708644583 /nfs/dbraw/zinc/64/45/83/708644583.db2.gz UYGOFNJDTPTWLQ-RDJZCZTQSA-N 2 0 345.491 1.626 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001034039400 709272390 /nfs/dbraw/zinc/27/23/90/709272390.db2.gz IISCJJJYAQGKHX-MSOLQXFVSA-N 2 0 347.507 1.374 20 0 EDADRP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001034040734 709288742 /nfs/dbraw/zinc/28/87/42/709288742.db2.gz WXEAQMXPTUBESV-RDJZCZTQSA-N 2 0 331.464 1.160 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH+](C)C)CC1 ZINC000921991934 709380488 /nfs/dbraw/zinc/38/04/88/709380488.db2.gz TTYSQSDZJUGHLZ-WBVHZDCISA-N 2 0 330.476 1.900 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001034130592 709399656 /nfs/dbraw/zinc/39/96/56/709399656.db2.gz JDHIMNCGEIUCSL-MSOLQXFVSA-N 2 0 347.507 1.565 20 0 EDADRP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034135847 709406904 /nfs/dbraw/zinc/40/69/04/709406904.db2.gz FRRKACPIWDWTFJ-QZTJIDSGSA-N 2 0 330.476 1.955 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001002859223 709466984 /nfs/dbraw/zinc/46/69/84/709466984.db2.gz LHOKBNLEUSXYDV-ZWKOTPCHSA-N 2 0 347.507 1.274 20 0 EDADRP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875090 709481526 /nfs/dbraw/zinc/48/15/26/709481526.db2.gz NGQKDYWJLFQWRB-KGLIPLIRSA-N 2 0 349.397 1.383 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC001034291221 709716581 /nfs/dbraw/zinc/71/65/81/709716581.db2.gz RNBLHMGHMJJENG-SJORKVTESA-N 2 0 335.492 1.622 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1)OC ZINC001002995608 709743957 /nfs/dbraw/zinc/74/39/57/709743957.db2.gz POCPSSVUGMINMC-WMZOPIPTSA-N 2 0 339.524 1.970 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321552 709771839 /nfs/dbraw/zinc/77/18/39/709771839.db2.gz UYIPZXCVDNEKAC-AGYKMIKPSA-N 2 0 347.503 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003011946 709783541 /nfs/dbraw/zinc/78/35/41/709783541.db2.gz UGBSCRPTLBDOBU-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001034378992 709900790 /nfs/dbraw/zinc/90/07/90/709900790.db2.gz ZQIXTGQMSBEZKI-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001003129332 710027708 /nfs/dbraw/zinc/02/77/08/710027708.db2.gz BCKRJSSANAQLIP-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001003147622 710046575 /nfs/dbraw/zinc/04/65/75/710046575.db2.gz WWATZSPNCBHJLG-ZWKOTPCHSA-N 2 0 345.491 1.481 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003157561 710060267 /nfs/dbraw/zinc/06/02/67/710060267.db2.gz BDKUDCNHKGWNGG-IBGZPJMESA-N 2 0 345.487 1.744 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229435 710150648 /nfs/dbraw/zinc/15/06/48/710150648.db2.gz GLMXJYNOOYICJN-RDJZCZTQSA-N 2 0 325.497 1.722 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525648 710176258 /nfs/dbraw/zinc/17/62/58/710176258.db2.gz NRZLHAAPBMJGEO-GJZGRUSLSA-N 2 0 329.435 1.954 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001034534520 710205550 /nfs/dbraw/zinc/20/55/50/710205550.db2.gz LYYYRJKDFKXNFJ-OALUTQOASA-N 2 0 345.487 1.878 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034539055 710212236 /nfs/dbraw/zinc/21/22/36/710212236.db2.gz UWQDCQJAQZLJHU-DLBZAZTESA-N 2 0 348.495 1.123 20 0 EDADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333190 710257492 /nfs/dbraw/zinc/25/74/92/710257492.db2.gz PMTFFDCDNWHNBJ-KGXSXCIVSA-N 2 0 349.519 1.866 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC[C@@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001032840091 710289402 /nfs/dbraw/zinc/28/94/02/710289402.db2.gz MBHDOMHXVJNTCB-FJIDUMEYSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034642535 710318203 /nfs/dbraw/zinc/31/82/03/710318203.db2.gz GUGMYYDMLATIPM-BQFCYCMXSA-N 2 0 347.507 1.810 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001034645103 710321465 /nfs/dbraw/zinc/32/14/65/710321465.db2.gz QHVMDJUICYQEHG-ANQUJSFKSA-N 2 0 347.463 1.461 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003493195 710375864 /nfs/dbraw/zinc/37/58/64/710375864.db2.gz SBBFZTTZBXCEQS-ZFWWWQNUSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003626100 710455116 /nfs/dbraw/zinc/45/51/16/710455116.db2.gz MAIRWRHORATGDL-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003626506 710455738 /nfs/dbraw/zinc/45/57/38/710455738.db2.gz RDUYBNRHUTXACO-AWEZNQCLSA-N 2 0 349.479 1.233 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C1CCC1 ZINC001003631803 710460643 /nfs/dbraw/zinc/46/06/43/710460643.db2.gz VHAGWASZNBMMFC-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003635237 710462396 /nfs/dbraw/zinc/46/23/96/710462396.db2.gz NHRYXXCSEBSCHK-DOTOQJQBSA-N 2 0 330.476 1.668 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034672856 710606948 /nfs/dbraw/zinc/60/69/48/710606948.db2.gz SIWAEWVQTHXTKR-MGPQQGTHSA-N 2 0 337.493 1.539 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC001034673487 710611341 /nfs/dbraw/zinc/61/13/41/710611341.db2.gz BMYUMGCQXZUNAY-BRWVUGGUSA-N 2 0 345.491 1.786 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC001034674953 710626583 /nfs/dbraw/zinc/62/65/83/710626583.db2.gz VXFGJUZQNUWMCT-MIGQKNRLSA-N 2 0 348.495 1.675 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001005591182 710647249 /nfs/dbraw/zinc/64/72/49/710647249.db2.gz FWQTXWLMIIRJMC-GOSISDBHSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1nc2c([nH]1)C[C@H](C(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1)CC2 ZINC001005622803 710739446 /nfs/dbraw/zinc/73/94/46/710739446.db2.gz LPGNIUIVWKTZRQ-TZMCWYRMSA-N 2 0 334.464 1.127 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034698577 710794884 /nfs/dbraw/zinc/79/48/84/710794884.db2.gz PGKKSGHAHSKFMT-QAQDUYKDSA-N 2 0 333.476 1.414 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001034734041 710915383 /nfs/dbraw/zinc/91/53/83/710915383.db2.gz HVGDTBUDDJUHCK-ZTFGCOKTSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034734971 710918363 /nfs/dbraw/zinc/91/83/63/710918363.db2.gz CTZZOCWNYVFPLZ-BPUTZDHNSA-N 2 0 334.464 1.984 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC001034735326 710920012 /nfs/dbraw/zinc/92/00/12/710920012.db2.gz FGEOVZWNVHPSFN-VGWMRTNUSA-N 2 0 348.495 1.377 20 0 EDADRP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034738180 710952680 /nfs/dbraw/zinc/95/26/80/710952680.db2.gz QSXPTEPFLQJDMS-ANQUJSFKSA-N 2 0 348.491 1.952 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001034738147 710953068 /nfs/dbraw/zinc/95/30/68/710953068.db2.gz QKPBUOYTABOFBU-HJWJTTGWSA-N 2 0 345.491 1.500 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001032966433 711022116 /nfs/dbraw/zinc/02/21/16/711022116.db2.gz DPZJEUSNFIWALW-RTBURBONSA-N 2 0 343.471 1.844 20 0 EDADRP COCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032969554 711048626 /nfs/dbraw/zinc/04/86/26/711048626.db2.gz XCELZDKVZOXHEI-RTBURBONSA-N 2 0 345.487 1.960 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001034778215 711079691 /nfs/dbraw/zinc/07/96/91/711079691.db2.gz PAJJNHLZDICHHQ-HDJSIYSDSA-N 2 0 349.504 1.459 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001034792148 711118714 /nfs/dbraw/zinc/11/87/14/711118714.db2.gz GECNLPSOCXOFPY-WHRQZHCMSA-N 2 0 337.508 1.770 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001003986868 711194407 /nfs/dbraw/zinc/19/44/07/711194407.db2.gz ZKSGOPIMJPWRCA-HNAYVOBHSA-N 2 0 333.476 1.089 20 0 EDADRP CN(C)c1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001034881740 711282631 /nfs/dbraw/zinc/28/26/31/711282631.db2.gz NMFLXVKUOMBKHB-MOPGFXCFSA-N 2 0 344.503 1.927 20 0 EDADRP CCn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001034936559 711352298 /nfs/dbraw/zinc/35/22/98/711352298.db2.gz RHINBEGYXVBYNM-WBVHZDCISA-N 2 0 348.495 1.251 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)nn1C ZINC001034942574 711395618 /nfs/dbraw/zinc/39/56/18/711395618.db2.gz YXJYCXCGKATBSZ-MSOLQXFVSA-N 2 0 345.491 1.151 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1C ZINC001034955561 711423481 /nfs/dbraw/zinc/42/34/81/711423481.db2.gz KEBYARHFHLNZBZ-QZTJIDSGSA-N 2 0 347.507 1.684 20 0 EDADRP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@@]2(C[N@@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922395321 711451015 /nfs/dbraw/zinc/45/10/15/711451015.db2.gz VDBMNTDMTOIUHX-MKXGPGLRSA-N 2 0 334.508 1.942 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392736 711458205 /nfs/dbraw/zinc/45/82/05/711458205.db2.gz GVJPFPJUUBRXCX-VXIBKDFQSA-N 2 0 349.523 1.446 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](Cc3cc(CO)ccc3F)CC2)C1 ZINC001004151309 711569036 /nfs/dbraw/zinc/56/90/36/711569036.db2.gz WLMSQGIKKHWYLJ-HNNXBMFYSA-N 2 0 349.450 1.350 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033126154 711865038 /nfs/dbraw/zinc/86/50/38/711865038.db2.gz KTKKIIWIHGGHJR-WMZOPIPTSA-N 2 0 337.508 1.963 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004501665 711902089 /nfs/dbraw/zinc/90/20/89/711902089.db2.gz ZIFLKHHANGMKQX-MOPGFXCFSA-N 2 0 349.519 1.556 20 0 EDADRP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621462 711908134 /nfs/dbraw/zinc/90/81/34/711908134.db2.gz ZENUAKDWKBWNGQ-ZACQAIPSSA-N 2 0 337.508 1.676 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3ccon3)CC2)C1 ZINC001004618523 712079080 /nfs/dbraw/zinc/07/90/80/712079080.db2.gz XODAYUSYBQLTSN-FUHWJXTLSA-N 2 0 346.475 1.829 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644517 712151407 /nfs/dbraw/zinc/15/14/07/712151407.db2.gz FWSKFNMNIFEYBX-WNRNVDISSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C[C@@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496174569 282135908 /nfs/dbraw/zinc/13/59/08/282135908.db2.gz XHXGZYNRFBJAHG-RHSMWYFYSA-N 2 0 329.485 1.488 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605553 282170702 /nfs/dbraw/zinc/17/07/02/282170702.db2.gz BPISKADGBNVFES-KVZIAJEVSA-N 2 0 347.503 1.888 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@H]1CC(N)=O)c1ccccc1 ZINC000354855220 282238066 /nfs/dbraw/zinc/23/80/66/282238066.db2.gz LSEJJMAAUPRLII-DLBZAZTESA-N 2 0 346.475 1.135 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000342393151 282252371 /nfs/dbraw/zinc/25/23/71/282252371.db2.gz ADIMRXSGMZOVJA-HOTGVXAUSA-N 2 0 325.522 1.757 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000348110985 539341964 /nfs/dbraw/zinc/34/19/64/539341964.db2.gz OQYDGBOGOGNKJZ-ULQDDVLXSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1COCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000433456288 305109655 /nfs/dbraw/zinc/10/96/55/305109655.db2.gz LVOSBGZXUPIJNN-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP CN(C/C=C/CN(C)[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340196916 282335412 /nfs/dbraw/zinc/33/54/12/282335412.db2.gz GEOKNBJQIXNKQA-IGVYDEPUSA-N 2 0 332.536 1.880 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C(C)(F)F)nc1 ZINC000560080061 306260722 /nfs/dbraw/zinc/26/07/22/306260722.db2.gz INZRGPGDSPEJNH-UHFFFAOYSA-N 2 0 328.407 1.759 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000436125045 539569680 /nfs/dbraw/zinc/56/96/80/539569680.db2.gz PABRBHMKIUODEE-LSDHHAIUSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(-n2cnnn2)c1 ZINC000154336775 539625139 /nfs/dbraw/zinc/62/51/39/539625139.db2.gz WFUFMOMXNVDJSZ-MRXNPFEDSA-N 2 0 343.479 1.341 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000561206717 306284722 /nfs/dbraw/zinc/28/47/22/306284722.db2.gz GVIBHKGGPMJSNF-RRQGHBQHSA-N 2 0 334.439 1.652 20 0 EDADRP O=C(CC[NH+]1CCCCC1)Nc1cccc(NC(=O)NC2C[NH2+]C2)c1 ZINC000562751634 306307864 /nfs/dbraw/zinc/30/78/64/306307864.db2.gz TVCNODNGHUQRLL-UHFFFAOYSA-N 2 0 345.447 1.594 20 0 EDADRP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@@H]1CC[NH2+]C1 ZINC000417759235 283004293 /nfs/dbraw/zinc/00/42/93/283004293.db2.gz WBPXORNFHOCVAI-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000353519818 299216214 /nfs/dbraw/zinc/21/62/14/299216214.db2.gz OEQQAULLGMZDGZ-RYQLBKOJSA-N 2 0 349.519 1.772 20 0 EDADRP CC(C)CN(C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1CC[NH+](C)CC1 ZINC000563159994 306321072 /nfs/dbraw/zinc/32/10/72/306321072.db2.gz MVTAKFFNLWDSIH-MQVJKMGUSA-N 2 0 335.492 1.380 20 0 EDADRP COc1cc2c(cc1OC)[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)CC2 ZINC000279964064 540070738 /nfs/dbraw/zinc/07/07/38/540070738.db2.gz CNKAIWCUPAAMGL-RHSMWYFYSA-N 2 0 333.476 1.917 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000563331657 306327739 /nfs/dbraw/zinc/32/77/39/306327739.db2.gz KIGAQDRESDNULC-BZSNNMDCSA-N 2 0 346.475 1.015 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000360166691 283164887 /nfs/dbraw/zinc/16/48/87/283164887.db2.gz ZLPTVFSZQWKGNQ-HZPDHXFCSA-N 2 0 340.512 1.166 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000563529786 306337348 /nfs/dbraw/zinc/33/73/48/306337348.db2.gz GDZTUWXCMNAHBY-UHFFFAOYSA-N 2 0 339.505 1.076 20 0 EDADRP O=C(NCCCC[NH+]1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083187946 138268917 /nfs/dbraw/zinc/26/89/17/138268917.db2.gz WZCDBYJJFDZQKD-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000352753841 283211331 /nfs/dbraw/zinc/21/13/31/283211331.db2.gz PRVLLJVNOKTHBV-SJORKVTESA-N 2 0 342.528 1.595 20 0 EDADRP Cc1cccc(N2CCC(NC(=O)[C@H](C)N3CCSCC3)CC2)n1 ZINC000132206223 138372838 /nfs/dbraw/zinc/37/28/38/138372838.db2.gz SJVKTLJLGARGNF-HNNXBMFYSA-N 2 0 348.516 1.912 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(CO)CC1 ZINC000186796024 236023833 /nfs/dbraw/zinc/02/38/33/236023833.db2.gz UNMXBNRQNSAAEJ-AEFFLSMTSA-N 2 0 345.487 1.470 20 0 EDADRP CCn1ccnc1CN(C[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000564329478 306358799 /nfs/dbraw/zinc/35/87/99/306358799.db2.gz UOPKULRYDAHIKC-IRXDYDNUSA-N 2 0 331.508 1.847 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000564784329 306364427 /nfs/dbraw/zinc/36/44/27/306364427.db2.gz QIPVWSFDMPKIDA-CZUORRHYSA-N 2 0 339.867 1.362 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000564838979 306366387 /nfs/dbraw/zinc/36/63/87/306366387.db2.gz NOKLUYCYRZUUCK-BBRMVZONSA-N 2 0 332.448 1.166 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)COC1C[NH2+]C1 ZINC000565037337 306373784 /nfs/dbraw/zinc/37/37/84/306373784.db2.gz MMORTLQCKNOVOB-UHFFFAOYSA-N 2 0 332.448 1.135 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2ccccc2CC[NH3+])C[C@H](C)O1 ZINC000565152258 306376174 /nfs/dbraw/zinc/37/61/74/306376174.db2.gz ZGOKIFZBCRFABF-HOTGVXAUSA-N 2 0 333.476 1.807 20 0 EDADRP CO[C@H](C)c1noc(CN2CCCN(C[C@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699862 304129336 /nfs/dbraw/zinc/12/93/36/304129336.db2.gz FQAQWGAFJLJHAI-HUUCEWRRSA-N 2 0 339.484 1.658 20 0 EDADRP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000414699190 304129458 /nfs/dbraw/zinc/12/94/58/304129458.db2.gz JMWATJGVORHINR-JOCBIADPSA-N 2 0 337.508 1.709 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000414723612 304133033 /nfs/dbraw/zinc/13/30/33/304133033.db2.gz PZGXZQRXWFQXER-UHFFFAOYSA-N 2 0 344.459 1.431 20 0 EDADRP COc1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc2c1OCO2 ZINC000414784550 304140549 /nfs/dbraw/zinc/14/05/49/304140549.db2.gz ILTAKUGBCFSZSY-CQSZACIVSA-N 2 0 334.416 1.611 20 0 EDADRP O=C(COc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1)N1CCCC1 ZINC000414826161 304145187 /nfs/dbraw/zinc/14/51/87/304145187.db2.gz DWZCUMYKFPHDQH-INIZCTEOSA-N 2 0 331.460 1.777 20 0 EDADRP CCOc1cc(CNC[C@H]2CCC[NH2+]2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414851317 304147919 /nfs/dbraw/zinc/14/79/19/304147919.db2.gz UATLZAXKKHFMFA-GOEBONIOSA-N 2 0 349.475 1.782 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000414999043 304149557 /nfs/dbraw/zinc/14/95/57/304149557.db2.gz UYBBOXBFCKVDJO-UHFFFAOYSA-N 2 0 346.475 1.581 20 0 EDADRP COC(=O)CNC(=O)CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110143 203339046 /nfs/dbraw/zinc/33/90/46/203339046.db2.gz BNRSNHWNQZQNDS-KRWDZBQOSA-N 2 0 347.459 1.120 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)c1 ZINC000415039406 304153255 /nfs/dbraw/zinc/15/32/55/304153255.db2.gz MWIMDCQKOHVDSK-XJKSGUPXSA-N 2 0 332.448 1.334 20 0 EDADRP COc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc2c1OCO2 ZINC000415051904 304154616 /nfs/dbraw/zinc/15/46/16/304154616.db2.gz JXFZZQXMQCCSEO-UHFFFAOYSA-N 2 0 347.459 1.730 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415075395 304157673 /nfs/dbraw/zinc/15/76/73/304157673.db2.gz FALATFIRJBLEHQ-CQSZACIVSA-N 2 0 334.464 1.691 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000424126061 296166744 /nfs/dbraw/zinc/16/67/44/296166744.db2.gz BCAHHNDGMVEUIQ-AWEZNQCLSA-N 2 0 331.464 1.577 20 0 EDADRP CCOc1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1OC ZINC000415119937 304161260 /nfs/dbraw/zinc/16/12/60/304161260.db2.gz FNJVZHJXHUCLOW-MRXNPFEDSA-N 2 0 345.447 1.981 20 0 EDADRP C[NH+](C)CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000107354047 204234156 /nfs/dbraw/zinc/23/41/56/204234156.db2.gz VDXICMQRUGUNDF-UHFFFAOYSA-N 2 0 338.883 1.530 20 0 EDADRP COc1ccc(OC)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415139899 304163355 /nfs/dbraw/zinc/16/33/55/304163355.db2.gz XNWWOQUHEPPJMW-SJORKVTESA-N 2 0 332.444 1.904 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)Nc1ccccc1OCCn1ccnc1 ZINC000415153938 304166222 /nfs/dbraw/zinc/16/62/22/304166222.db2.gz JNVOFIAWTXXKPW-CQSZACIVSA-N 2 0 331.420 1.939 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](O)C1 ZINC000227070265 139022264 /nfs/dbraw/zinc/02/22/64/139022264.db2.gz MCYCOWMTKXNQQT-QFBILLFUSA-N 2 0 345.487 1.612 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000236613598 139026962 /nfs/dbraw/zinc/02/69/62/139026962.db2.gz JUOJQNMPTKPDBE-SFHVURJKSA-N 2 0 330.476 1.684 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)C2(c3ccccc3)CC[NH2+]CC2)n1 ZINC000237009726 139037965 /nfs/dbraw/zinc/03/79/65/139037965.db2.gz UIOKLVHJKUDKLS-UHFFFAOYSA-N 2 0 341.459 1.705 20 0 EDADRP C[NH2+]C1CCN(C(=O)CN2CCN(Cc3ccccc3)CC2)CC1 ZINC000237112907 139041081 /nfs/dbraw/zinc/04/10/81/139041081.db2.gz GVAIEVJPEDGAQN-UHFFFAOYSA-N 2 0 330.476 1.015 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)C2([NH3+])CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000237186699 139043317 /nfs/dbraw/zinc/04/33/17/139043317.db2.gz KZRUMEDFXPHCKV-HNNXBMFYSA-N 2 0 330.432 1.283 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000415175334 304171164 /nfs/dbraw/zinc/17/11/64/304171164.db2.gz WOTNJOCFIVOWPA-NVXWUHKLSA-N 2 0 344.459 1.287 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237483736 139052306 /nfs/dbraw/zinc/05/23/06/139052306.db2.gz UBMXVDRQMOSKMY-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604618 139055350 /nfs/dbraw/zinc/05/53/50/139055350.db2.gz GIEQSCLPEKMWRW-JTDSTZFVSA-N 2 0 337.508 1.724 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000237837781 139061635 /nfs/dbraw/zinc/06/16/35/139061635.db2.gz OZAGSLYMPIYAGW-SJLPKXTDSA-N 2 0 331.460 1.647 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000245399158 139072061 /nfs/dbraw/zinc/07/20/61/139072061.db2.gz VVLNVEDRTMONDS-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)N2CC[C@@H](C[NH+](C)C)C2)cc1OC ZINC000246425246 139107970 /nfs/dbraw/zinc/10/79/70/139107970.db2.gz UOQAAAKNCJJCCR-ZBFHGGJFSA-N 2 0 349.475 1.592 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC000246916841 139126870 /nfs/dbraw/zinc/12/68/70/139126870.db2.gz QLOJQPPXFWMPRD-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353689101 296233251 /nfs/dbraw/zinc/23/32/51/296233251.db2.gz YUVZVZSREGIIAZ-IBGZPJMESA-N 2 0 327.472 1.979 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000171209375 206674002 /nfs/dbraw/zinc/67/40/02/206674002.db2.gz NBNSUHZLLWHYKU-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CCC(CC)(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000568857743 306490484 /nfs/dbraw/zinc/49/04/84/306490484.db2.gz NXMCYQIEUUWWHC-IBGZPJMESA-N 2 0 333.520 1.942 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000248881325 139179022 /nfs/dbraw/zinc/17/90/22/139179022.db2.gz SIEYXJBPICCVLM-JYJNAYRXSA-N 2 0 325.497 1.852 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249103047 139185705 /nfs/dbraw/zinc/18/57/05/139185705.db2.gz KLLSWFUAUYMFAT-HUUCEWRRSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H](NC(=O)C1([NH3+])CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544003 139208725 /nfs/dbraw/zinc/20/87/25/139208725.db2.gz DLGPPGRXLXABNL-WBVHZDCISA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1CCCO1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261627612 139212459 /nfs/dbraw/zinc/21/24/59/139212459.db2.gz DOOPYEVQEILQGL-RANZSIQMSA-N 2 0 331.460 1.344 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000261698971 139218606 /nfs/dbraw/zinc/21/86/06/139218606.db2.gz IADOYURCKITIFW-GOEBONIOSA-N 2 0 337.489 1.755 20 0 EDADRP [NH3+][C@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000261829842 139229687 /nfs/dbraw/zinc/22/96/87/139229687.db2.gz IEFIKZLVRJOHFZ-SFHVURJKSA-N 2 0 331.460 1.305 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)CC1 ZINC000261844911 139230924 /nfs/dbraw/zinc/23/09/24/139230924.db2.gz UTVKHZIREKTQSD-GOSISDBHSA-N 2 0 348.466 1.373 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261991151 139242256 /nfs/dbraw/zinc/24/22/56/139242256.db2.gz SHZBYGNVQGNWCO-GFCCVEGCSA-N 2 0 333.461 1.425 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000262028787 139244990 /nfs/dbraw/zinc/24/49/90/139244990.db2.gz BHLSYCUURBMMOZ-AEFFLSMTSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415763294 251022007 /nfs/dbraw/zinc/02/20/07/251022007.db2.gz QKOXUJDCWYGYMK-HNNXBMFYSA-N 2 0 346.475 1.507 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000415944766 251036266 /nfs/dbraw/zinc/03/62/66/251036266.db2.gz PWKNTWBMXYFZIF-HNNXBMFYSA-N 2 0 348.491 1.963 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415944528 251036747 /nfs/dbraw/zinc/03/67/47/251036747.db2.gz AEFIPZQXABOWOZ-UHFFFAOYSA-N 2 0 333.480 1.683 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415952791 251038020 /nfs/dbraw/zinc/03/80/20/251038020.db2.gz FCPGDTBJXGIWCY-GDBMZVCRSA-N 2 0 349.479 1.376 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000415978819 251043364 /nfs/dbraw/zinc/04/33/64/251043364.db2.gz VPSIYLBQKWFCPG-MRXNPFEDSA-N 2 0 348.447 1.137 20 0 EDADRP COC[C@]1(CNC(=O)NCCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000416879934 251117665 /nfs/dbraw/zinc/11/76/65/251117665.db2.gz XMTDSFUUQGAYRV-QGZVFWFLSA-N 2 0 326.485 1.176 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000417011541 251130060 /nfs/dbraw/zinc/13/00/60/251130060.db2.gz SIGUEHVEOHOSGD-QZTJIDSGSA-N 2 0 332.492 1.930 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000416997466 251123804 /nfs/dbraw/zinc/12/38/04/251123804.db2.gz AGSDCMMBKXLAMU-ROUUACIJSA-N 2 0 348.491 1.227 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024769 251137987 /nfs/dbraw/zinc/13/79/87/251137987.db2.gz MPIXDIISIMHBOF-HOTGVXAUSA-N 2 0 330.476 1.827 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000417413995 251164222 /nfs/dbraw/zinc/16/42/22/251164222.db2.gz CHKVPKMCEAFVEU-CABCVRRESA-N 2 0 336.436 1.013 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000417416933 251166475 /nfs/dbraw/zinc/16/64/75/251166475.db2.gz IZDHROINSWXXNV-BBWFWOEESA-N 2 0 346.475 1.976 20 0 EDADRP [NH3+][C@H](CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000417498377 251181752 /nfs/dbraw/zinc/18/17/52/251181752.db2.gz FVTOGRHJENHSML-FUHWJXTLSA-N 2 0 330.476 1.588 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC1 ZINC000417550612 251186534 /nfs/dbraw/zinc/18/65/34/251186534.db2.gz WCFYYZIIAWFZFF-GJZGRUSLSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@@H](CNC(=O)N1CCNC[C@@](C)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000417576312 251193660 /nfs/dbraw/zinc/19/36/60/251193660.db2.gz HERRNGWEQUJAJT-MAUKXSAKSA-N 2 0 336.455 1.850 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC[NH2+]1 ZINC000262388226 139275404 /nfs/dbraw/zinc/27/54/04/139275404.db2.gz MIZSPXXNVKXSKA-GJZGRUSLSA-N 2 0 345.491 1.939 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH3+])CC2)[C@@H](C)C1 ZINC000417669076 251221339 /nfs/dbraw/zinc/22/13/39/251221339.db2.gz KTMJVKWYNYUKHE-RDJZCZTQSA-N 2 0 340.512 1.504 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000417671727 251223105 /nfs/dbraw/zinc/22/31/05/251223105.db2.gz QZBJAVQFUYNUKG-PMPSAXMXSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)Cc2ccccc2C1 ZINC000417742650 251252268 /nfs/dbraw/zinc/25/22/68/251252268.db2.gz WHXUDADDBCHMCR-ZWKOTPCHSA-N 2 0 342.487 1.337 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)Cc2ccccc2C1 ZINC000417745290 251252708 /nfs/dbraw/zinc/25/27/08/251252708.db2.gz ZUXVLASXASGVJU-ZWKOTPCHSA-N 2 0 342.487 1.479 20 0 EDADRP COCC[C@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC[NH2+]C1 ZINC000417828632 251285958 /nfs/dbraw/zinc/28/59/58/251285958.db2.gz FQZCQOBCCJHHEO-MRXNPFEDSA-N 2 0 338.477 1.565 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417825766 251286987 /nfs/dbraw/zinc/28/69/87/251286987.db2.gz NMCWUKIECBIEQT-JLSDUUJJSA-N 2 0 330.476 1.934 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417841127 251293754 /nfs/dbraw/zinc/29/37/54/251293754.db2.gz SMQPYPXOMHJVGD-YOEHRIQHSA-N 2 0 341.459 1.869 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417800046 251274296 /nfs/dbraw/zinc/27/42/96/251274296.db2.gz BVIAFACVPPTHES-KRWDZBQOSA-N 2 0 342.528 1.891 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[C@H]2COCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000262505877 139283177 /nfs/dbraw/zinc/28/31/77/139283177.db2.gz JDRRBQGBLAFJDN-WMZOPIPTSA-N 2 0 347.459 1.327 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418112827 251327258 /nfs/dbraw/zinc/32/72/58/251327258.db2.gz ZFKIZLLGZZPQGE-BZSNNMDCSA-N 2 0 330.476 1.935 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000418445955 251371771 /nfs/dbraw/zinc/37/17/71/251371771.db2.gz YQSUSEDETLUAPV-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000418148200 251344250 /nfs/dbraw/zinc/34/42/50/251344250.db2.gz REGIFVNRGOZTPI-FUHWJXTLSA-N 2 0 330.476 1.806 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC(C)(C)CCC[NH3+] ZINC000418198530 251354984 /nfs/dbraw/zinc/35/49/84/251354984.db2.gz VOIFTAHDRJAKQB-UHFFFAOYSA-N 2 0 337.468 1.339 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415592419 304234562 /nfs/dbraw/zinc/23/45/62/304234562.db2.gz CDQOYEINRNUJSF-CQSZACIVSA-N 2 0 346.475 1.853 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]2CCCCC2)cc1 ZINC000262806200 139305065 /nfs/dbraw/zinc/30/50/65/139305065.db2.gz SHABWBNVLUKNAN-QZTJIDSGSA-N 2 0 349.475 1.702 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262881574 139310121 /nfs/dbraw/zinc/31/01/21/139310121.db2.gz ZACUWJKAASBWPQ-KRWDZBQOSA-N 2 0 345.491 1.944 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cn3c(n2)CCCC3)CC[NH2+]CC1 ZINC000422903998 252017887 /nfs/dbraw/zinc/01/78/87/252017887.db2.gz GHQQLDPDLUWUCF-CQSZACIVSA-N 2 0 334.464 1.630 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059024 252030485 /nfs/dbraw/zinc/03/04/85/252030485.db2.gz DUQNHLIGVMBEMV-HUUCEWRRSA-N 2 0 336.480 1.881 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000423773557 252069695 /nfs/dbraw/zinc/06/96/95/252069695.db2.gz JPNQHOYYKCOEEP-ILZDJORESA-N 2 0 345.487 1.639 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422907136 252018509 /nfs/dbraw/zinc/01/85/09/252018509.db2.gz BDNUAEVZMNXJTG-MRXNPFEDSA-N 3 0 332.492 1.729 20 0 EDADRP [NH3+]C1(CNC(=O)CCn2cccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000424020146 252115311 /nfs/dbraw/zinc/11/53/11/252115311.db2.gz NUMGWTOXHVNVAK-UHFFFAOYSA-N 2 0 341.459 1.383 20 0 EDADRP C[C@@H]1C[C@@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000424080733 252126847 /nfs/dbraw/zinc/12/68/47/252126847.db2.gz VUTZOSMGJALXIP-BFYDXBDKSA-N 2 0 345.491 1.279 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424130291 252134626 /nfs/dbraw/zinc/13/46/26/252134626.db2.gz HIMAIVKUMPDIBX-OAHLLOKOSA-N 2 0 334.468 1.147 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424133001 252135803 /nfs/dbraw/zinc/13/58/03/252135803.db2.gz LOXICQFKRLQKCA-ZNMIVQPWSA-N 2 0 331.464 1.244 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H]2CCO[C@H]2c2cnn(C)c2)cc1 ZINC000424291291 252191276 /nfs/dbraw/zinc/19/12/76/252191276.db2.gz NJSHVCAAQJLHIL-QGTPRVQTSA-N 2 0 330.432 1.591 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000424313552 252195385 /nfs/dbraw/zinc/19/53/85/252195385.db2.gz JIAAVUOLWIGQLL-BBRMVZONSA-N 2 0 333.432 1.425 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000424471158 252242842 /nfs/dbraw/zinc/24/28/42/252242842.db2.gz SJTARLNUIMBBDJ-UHFFFAOYSA-N 2 0 346.475 1.630 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000424430767 252226960 /nfs/dbraw/zinc/22/69/60/252226960.db2.gz DBRSXOMETIRXKF-QGZVFWFLSA-N 2 0 334.464 1.812 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000424476023 252247139 /nfs/dbraw/zinc/24/71/39/252247139.db2.gz ZTHOQFBQNPTPCD-MRXNPFEDSA-N 2 0 330.432 1.087 20 0 EDADRP CCC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482436 252249936 /nfs/dbraw/zinc/24/99/36/252249936.db2.gz UJKHKDLEYXBNRG-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000349913231 285033516 /nfs/dbraw/zinc/03/35/16/285033516.db2.gz IEYMBNFBFHQOSP-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000415660666 304250324 /nfs/dbraw/zinc/25/03/24/304250324.db2.gz PPSBCVORBAZBRA-RHSMWYFYSA-N 2 0 346.475 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263282629 139333069 /nfs/dbraw/zinc/33/30/69/139333069.db2.gz JZSSCVXNKINPLZ-ABAIWWIYSA-N 2 0 325.815 1.808 20 0 EDADRP CN(C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C1C[NH2+]C1 ZINC000415742447 304263362 /nfs/dbraw/zinc/26/33/62/304263362.db2.gz LEFSPDJLGVWRFE-UHFFFAOYSA-N 2 0 344.459 1.084 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000341994222 285202503 /nfs/dbraw/zinc/20/25/03/285202503.db2.gz LHOXBVBHBBXMPZ-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000487146935 255026906 /nfs/dbraw/zinc/02/69/06/255026906.db2.gz IPUCAHIDPRMGNP-SJORKVTESA-N 2 0 336.524 1.060 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\c1cncc(F)c1 ZINC000491891444 255154521 /nfs/dbraw/zinc/15/45/21/255154521.db2.gz ZFZNGSKBOKQEDA-FPLPWBNLSA-N 2 0 336.455 1.966 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492262725 255166087 /nfs/dbraw/zinc/16/60/87/255166087.db2.gz QHYHNLHLBKDZJS-VURMDHGXSA-N 2 0 325.497 1.701 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000494038410 255233214 /nfs/dbraw/zinc/23/32/14/255233214.db2.gz ONNINYATEHXVQI-PKOBYXMFSA-N 2 0 344.503 1.403 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)Nc2ccc(OCC[NH3+])cc2)CCSC1 ZINC000415933206 304286310 /nfs/dbraw/zinc/28/63/10/304286310.db2.gz FSSHNZOLQYNABZ-MRXNPFEDSA-N 2 0 338.477 1.583 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1OC ZINC000571286205 306561300 /nfs/dbraw/zinc/56/13/00/306561300.db2.gz NCUMOFPCOCOORM-IYBDPMFKSA-N 2 0 349.475 1.769 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571332112 306563258 /nfs/dbraw/zinc/56/32/58/306563258.db2.gz WICXNTXZYNENAP-KRWDZBQOSA-N 2 0 333.480 1.752 20 0 EDADRP COC[C@](C)(O)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000571498160 306567112 /nfs/dbraw/zinc/56/71/12/306567112.db2.gz LFIVVVWGAGPFDD-FUHWJXTLSA-N 2 0 334.460 1.962 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000571804404 306574990 /nfs/dbraw/zinc/57/49/90/306574990.db2.gz QIPXIQSVRBKEHT-UHFFFAOYSA-N 2 0 333.476 1.679 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@@H]2[C@H](C)O)CC1 ZINC000331277657 141002380 /nfs/dbraw/zinc/00/23/80/141002380.db2.gz GHTMAPQLRTXKTQ-HLLBOEOZSA-N 2 0 325.497 1.457 20 0 EDADRP [NH3+]C1CCC(NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000331464570 141033911 /nfs/dbraw/zinc/03/39/11/141033911.db2.gz FYXFVAUMRRWVMH-UHFFFAOYSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000332290924 141157280 /nfs/dbraw/zinc/15/72/80/141157280.db2.gz JHRDLLNZDIYSCW-XBVQOTNRSA-N 2 0 338.496 1.133 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc21 ZINC000333180537 141276767 /nfs/dbraw/zinc/27/67/67/141276767.db2.gz RULKLTNOBFEXMA-YJBOKZPZSA-N 2 0 329.448 1.687 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@H]2COc3ccccc32)CC1 ZINC000333183639 141277371 /nfs/dbraw/zinc/27/73/71/141277371.db2.gz SLHHEZLBQXNXIB-RHSMWYFYSA-N 2 0 331.460 1.741 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)C1C[NH2+]C1 ZINC000333228047 141284580 /nfs/dbraw/zinc/28/45/80/141284580.db2.gz BIIIXOKGVWVAGY-DGCLKSJQSA-N 2 0 329.491 1.099 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333313722 141297491 /nfs/dbraw/zinc/29/74/91/141297491.db2.gz LZSDGWCUGQSOOY-IVMMDQJWSA-N 2 0 329.448 1.598 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000333316783 141298253 /nfs/dbraw/zinc/29/82/53/141298253.db2.gz SXJQWGPYCJAXND-GOSISDBHSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333375431 141308003 /nfs/dbraw/zinc/30/80/03/141308003.db2.gz VPPUJDBDFKMHPT-QIIPPGSGSA-N 2 0 343.475 1.988 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000333441744 141317425 /nfs/dbraw/zinc/31/74/25/141317425.db2.gz WFLBGMHWCULLAJ-GJZGRUSLSA-N 2 0 331.464 1.610 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000333579729 141340190 /nfs/dbraw/zinc/34/01/90/141340190.db2.gz NOWGVSUEMQNYHW-WBVHZDCISA-N 2 0 329.448 1.301 20 0 EDADRP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641890 141349237 /nfs/dbraw/zinc/34/92/37/141349237.db2.gz XKFQHDLGNSVDJV-WDEREUQCSA-N 2 0 333.358 1.471 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333653385 141351131 /nfs/dbraw/zinc/35/11/31/141351131.db2.gz KFIRLPBLIVZNQK-DOTOQJQBSA-N 2 0 338.496 1.128 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000333856226 141395653 /nfs/dbraw/zinc/39/56/53/141395653.db2.gz ORBDBQIGXBMDLU-YLJYHZDGSA-N 2 0 343.471 1.794 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342102 142833301 /nfs/dbraw/zinc/83/33/01/142833301.db2.gz ULACLOCPPWNIRR-ZWKOTPCHSA-N 2 0 330.476 1.104 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000345183425 143062063 /nfs/dbraw/zinc/06/20/63/143062063.db2.gz KDVVZLYWBMKOEY-AEFFLSMTSA-N 2 0 343.475 1.150 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000345400565 143086663 /nfs/dbraw/zinc/08/66/63/143086663.db2.gz PTSZRIOQOJRSKZ-LSDHHAIUSA-N 2 0 328.501 1.061 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000345641286 143115434 /nfs/dbraw/zinc/11/54/34/143115434.db2.gz OMDPWIHWMQCQMV-SJORKVTESA-N 2 0 337.439 1.654 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000345714701 143124751 /nfs/dbraw/zinc/12/47/51/143124751.db2.gz BNKBQNMDOCZNRB-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[NH+]2CCOC)C[C@@H]1C ZINC000345785556 143133155 /nfs/dbraw/zinc/13/31/55/143133155.db2.gz PZEPRDDVVZSNTJ-JYJNAYRXSA-N 2 0 326.485 1.221 20 0 EDADRP [NH3+]CCCOC1CC[NH+](Cc2cnc(N3CCOCC3)s2)CC1 ZINC000346682004 143231115 /nfs/dbraw/zinc/23/11/15/143231115.db2.gz OUQHKFIAEUXOQE-UHFFFAOYSA-N 2 0 340.493 1.310 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000347031042 143273971 /nfs/dbraw/zinc/27/39/71/143273971.db2.gz NRDHWWVOHSBOAE-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000347043106 143275578 /nfs/dbraw/zinc/27/55/78/143275578.db2.gz FAXCZJZTYYOFAY-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347183432 143292243 /nfs/dbraw/zinc/29/22/43/143292243.db2.gz XAJDEZKIQUFXSH-OAHLLOKOSA-N 2 0 333.432 1.135 20 0 EDADRP Cc1ocnc1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000347696240 143350794 /nfs/dbraw/zinc/35/07/94/143350794.db2.gz UGUWSUDZUPICQQ-INIZCTEOSA-N 2 0 339.399 1.414 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1C ZINC000347850897 143370215 /nfs/dbraw/zinc/37/02/15/143370215.db2.gz GFNUTZIXIQIMEC-UHFFFAOYSA-N 2 0 349.475 1.889 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCCn2ccnc2C)C1 ZINC000348078850 143398380 /nfs/dbraw/zinc/39/83/80/143398380.db2.gz RPDWJZZOSUKNSD-DLBZAZTESA-N 2 0 349.479 1.476 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000416843206 304351024 /nfs/dbraw/zinc/35/10/24/304351024.db2.gz OHLDJAFIXYJHRI-ROUUACIJSA-N 2 0 348.491 1.611 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000416844785 304351273 /nfs/dbraw/zinc/35/12/73/304351273.db2.gz QMCJQBBJLSGSET-KBPBESRZSA-N 2 0 338.477 1.254 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000417666388 286060713 /nfs/dbraw/zinc/06/07/13/286060713.db2.gz CRIGRHLNLCEKFQ-JYJNAYRXSA-N 2 0 328.501 1.278 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199938 286068598 /nfs/dbraw/zinc/06/85/98/286068598.db2.gz MQRYFRUHABHNSJ-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C)C[N@@H+]1C ZINC000352778079 149163031 /nfs/dbraw/zinc/16/30/31/149163031.db2.gz FGNSROJDIQCGNE-SJORKVTESA-N 2 0 345.491 1.145 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000352793309 149167454 /nfs/dbraw/zinc/16/74/54/149167454.db2.gz MJMHWVALPCXETN-OAHLLOKOSA-N 2 0 336.480 1.766 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000353084733 149279985 /nfs/dbraw/zinc/27/99/85/149279985.db2.gz HBRDXRYDELVREP-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)[NH+]1CCOCC1 ZINC000416964646 304356215 /nfs/dbraw/zinc/35/62/15/304356215.db2.gz WIISIGFRLNAARR-XIRDDKMYSA-N 2 0 340.512 1.421 20 0 EDADRP C[C@@H](O)CCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000354882140 150009302 /nfs/dbraw/zinc/00/93/02/150009302.db2.gz ATWJCVYBLOUVFV-OAHLLOKOSA-N 2 0 327.513 1.563 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000354957798 150054446 /nfs/dbraw/zinc/05/44/46/150054446.db2.gz GYSHBEZTIKKTFK-IAGOWNOFSA-N 2 0 338.496 1.101 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346846 150226282 /nfs/dbraw/zinc/22/62/82/150226282.db2.gz UIRFGLCLUTWXCV-IAGOWNOFSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417040302 304364757 /nfs/dbraw/zinc/36/47/57/304364757.db2.gz KKGBYBNPMKJQRV-UONOGXRCSA-N 2 0 332.439 1.795 20 0 EDADRP C[N@H+](CCCNC(=O)NCCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000417044954 304365739 /nfs/dbraw/zinc/36/57/39/304365739.db2.gz YMEDQTHZKKXACF-UHFFFAOYSA-N 2 0 339.528 1.236 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000357407938 151022923 /nfs/dbraw/zinc/02/29/23/151022923.db2.gz FXQKECVMXMPULD-MAUKXSAKSA-N 2 0 331.460 1.731 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000358103566 151271315 /nfs/dbraw/zinc/27/13/15/151271315.db2.gz UFFLDOWIJIVQIP-WBVHZDCISA-N 2 0 338.496 1.389 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000358275034 151323395 /nfs/dbraw/zinc/32/33/95/151323395.db2.gz MPLLSYSZFWQQDN-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417114347 304373483 /nfs/dbraw/zinc/37/34/83/304373483.db2.gz ODJOTDSVPWHXHV-UHFFFAOYSA-N 2 0 340.537 1.789 20 0 EDADRP COc1ccc(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1OC ZINC000360572833 152103843 /nfs/dbraw/zinc/10/38/43/152103843.db2.gz MPVFCOBCPCFYPV-ZIAGYGMSSA-N 2 0 334.420 1.503 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360742805 152181068 /nfs/dbraw/zinc/18/10/68/152181068.db2.gz AUSNUIATXKAVIJ-HOCLYGCPSA-N 2 0 328.526 1.549 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360974330 152268419 /nfs/dbraw/zinc/26/84/19/152268419.db2.gz YQMPPWGEYWIOOO-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000361107524 152307696 /nfs/dbraw/zinc/30/76/96/152307696.db2.gz QADBSOYETXOUDF-ZNOOQZCJSA-N 2 0 345.487 1.852 20 0 EDADRP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000361141421 152318716 /nfs/dbraw/zinc/31/87/16/152318716.db2.gz NYRXFLCGLKKFOX-KRWDZBQOSA-N 2 0 347.503 1.709 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417150240 304378193 /nfs/dbraw/zinc/37/81/93/304378193.db2.gz FDSZNQXOMCLXBO-UHFFFAOYSA-N 2 0 331.464 1.487 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000417151628 304378404 /nfs/dbraw/zinc/37/84/04/304378404.db2.gz LRGDOOZPJSKBCA-UHFFFAOYSA-N 2 0 345.491 1.107 20 0 EDADRP COCC1CC[NH+](CC2(C[NH+]3CCC(COC)CC3)COC2)CC1 ZINC000182168091 292267056 /nfs/dbraw/zinc/26/70/56/292267056.db2.gz GXJALIZMZJGMLZ-UHFFFAOYSA-N 2 0 340.508 1.720 20 0 EDADRP CCCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000417178418 304381007 /nfs/dbraw/zinc/38/10/07/304381007.db2.gz DPFHQENSUZTUEZ-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000417181097 304381554 /nfs/dbraw/zinc/38/15/54/304381554.db2.gz HNMNMGXBYKJNJB-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP CC1(CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]CC1 ZINC000363653071 153023425 /nfs/dbraw/zinc/02/34/25/153023425.db2.gz SOMXINSQIPJSGC-UHFFFAOYSA-N 2 0 330.476 1.800 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)N3CCCCC3)CC2)CC1 ZINC000363798893 153060400 /nfs/dbraw/zinc/06/04/00/153060400.db2.gz YNDYRVXHAHKICM-UHFFFAOYSA-N 2 0 336.524 1.348 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364163562 153160211 /nfs/dbraw/zinc/16/02/11/153160211.db2.gz ZXQGTNPIXDXAQX-MRXNPFEDSA-N 2 0 325.497 1.555 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000364203195 153171998 /nfs/dbraw/zinc/17/19/98/153171998.db2.gz YXYYNZKBWKDCGA-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP CN(C(=O)C1CC[NH+](Cc2cccnc2)CC1)C1CC[NH+](C)CC1 ZINC000364305369 153201416 /nfs/dbraw/zinc/20/14/16/153201416.db2.gz QKAPWLIMLDPDQR-UHFFFAOYSA-N 2 0 330.476 1.846 20 0 EDADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)[NH+](C)C ZINC000364548006 153266306 /nfs/dbraw/zinc/26/63/06/153266306.db2.gz SRBLGAGGULNKLN-YYIAUSFCSA-N 2 0 325.497 1.578 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000417196836 304383575 /nfs/dbraw/zinc/38/35/75/304383575.db2.gz PPOYSEQTPYPTDY-GOSISDBHSA-N 2 0 344.503 1.944 20 0 EDADRP Cc1nc(CNC(=O)N2C[C@@H](C)[N@H+](CCO)[C@@H](C)C2)c2n1CCCC2 ZINC000364810596 153340610 /nfs/dbraw/zinc/34/06/10/153340610.db2.gz GHVBALXCTOGQSP-OKILXGFUSA-N 2 0 349.479 1.124 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)N(CC[NH3+])CCO)c2ccccc2)CC1 ZINC000417216249 304385128 /nfs/dbraw/zinc/38/51/28/304385128.db2.gz OUYYPQZNXKXNDD-GOSISDBHSA-N 2 0 348.491 1.422 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C12CCOCC2 ZINC000248976597 286389907 /nfs/dbraw/zinc/38/99/07/286389907.db2.gz HUSXULLBFIMABN-YESZJQIVSA-N 2 0 325.497 1.186 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417240110 304386942 /nfs/dbraw/zinc/38/69/42/304386942.db2.gz PDRRUBKSVRAVAR-ARFHVFGLSA-N 2 0 340.512 1.645 20 0 EDADRP COC(=O)[C@H](CC(C)C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000367159299 154026059 /nfs/dbraw/zinc/02/60/59/154026059.db2.gz WCZHOFGITAQTNU-KRWDZBQOSA-N 2 0 336.480 1.867 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367709424 154238434 /nfs/dbraw/zinc/23/84/34/154238434.db2.gz SVYBTPPSHRJMMC-SJPCQFCGSA-N 2 0 347.507 1.622 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000417506318 304401379 /nfs/dbraw/zinc/40/13/79/304401379.db2.gz LSCQQAQPYDFLFQ-QGZVFWFLSA-N 2 0 346.475 1.195 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372367758 156355160 /nfs/dbraw/zinc/35/51/60/156355160.db2.gz HRIXACANMYJPQG-KRWDZBQOSA-N 2 0 325.497 1.679 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603406 157342195 /nfs/dbraw/zinc/34/21/95/157342195.db2.gz MSJCAJKNKYJKGV-MOPGFXCFSA-N 2 0 345.487 1.564 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000377995129 158050616 /nfs/dbraw/zinc/05/06/16/158050616.db2.gz UMUQLABFIZFVCO-HRCADAONSA-N 2 0 338.496 1.221 20 0 EDADRP [NH3+]CCCCCCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378212948 158111844 /nfs/dbraw/zinc/11/18/44/158111844.db2.gz XONWYYWYXAKBGF-UHFFFAOYSA-N 2 0 325.497 1.857 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417917457 304430962 /nfs/dbraw/zinc/43/09/62/304430962.db2.gz WGUKGLGYRAQXEX-CVEARBPZSA-N 2 0 340.512 1.571 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000352220685 162057596 /nfs/dbraw/zinc/05/75/96/162057596.db2.gz DCVXNNCTKLUEKN-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000354437747 292474488 /nfs/dbraw/zinc/47/44/88/292474488.db2.gz ANOUMTRLKBLSBO-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262718285 287013793 /nfs/dbraw/zinc/01/37/93/287013793.db2.gz HFSDNXPFFUOZAD-CVEARBPZSA-N 2 0 333.480 1.802 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000418061898 304453140 /nfs/dbraw/zinc/45/31/40/304453140.db2.gz YDZMYIVLUNGLBC-QGZVFWFLSA-N 2 0 334.464 1.050 20 0 EDADRP C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000418192066 304463303 /nfs/dbraw/zinc/46/33/03/304463303.db2.gz YFHNXTYSVWDAPL-YUTCNCBUSA-N 2 0 328.407 1.960 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536530 287261012 /nfs/dbraw/zinc/26/10/12/287261012.db2.gz CEVBQHGCXZMMCQ-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000074223827 287269209 /nfs/dbraw/zinc/26/92/09/287269209.db2.gz UNRYIIAGJIQTDY-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH2+]CCNC(=O)N1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000418315728 304478659 /nfs/dbraw/zinc/47/86/59/304478659.db2.gz IJTHZSPITYRKAS-UHFFFAOYSA-N 2 0 330.476 1.904 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418480453 304500647 /nfs/dbraw/zinc/50/06/47/304500647.db2.gz CPVXJKYFCOFCFU-ILXRZTDVSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000137937330 287585076 /nfs/dbraw/zinc/58/50/76/287585076.db2.gz DMAYPICWTYQULP-GOSISDBHSA-N 2 0 327.476 1.679 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)c2)CC1 ZINC000248562047 273016354 /nfs/dbraw/zinc/01/63/54/273016354.db2.gz BASBZQADDBTRMV-GBESFXJTSA-N 2 0 342.487 1.243 20 0 EDADRP CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+](CC)CC ZINC000273141696 267988177 /nfs/dbraw/zinc/98/81/77/267988177.db2.gz UPVAOOZMVRPBRF-RBUKOAKNSA-N 2 0 347.503 1.990 20 0 EDADRP CS[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000275075471 268276358 /nfs/dbraw/zinc/27/63/58/268276358.db2.gz CMOHLJUEIYZVDO-JKSUJKDBSA-N 2 0 334.489 1.799 20 0 EDADRP COc1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CCN(C)CC2)c1 ZINC000275330150 268323752 /nfs/dbraw/zinc/32/37/52/268323752.db2.gz VTQKCENHGSMAIF-GOSISDBHSA-N 2 0 331.460 1.996 20 0 EDADRP CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951120 272934940 /nfs/dbraw/zinc/93/49/40/272934940.db2.gz TVHQOMFQFAGULI-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000178116620 272943066 /nfs/dbraw/zinc/94/30/66/272943066.db2.gz GAJQFPXYTZNZDQ-QGZVFWFLSA-N 2 0 331.460 1.543 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000277026364 273177796 /nfs/dbraw/zinc/17/77/96/273177796.db2.gz JRGONTZXFWCLFS-GOEBONIOSA-N 2 0 347.488 1.902 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000277026366 273177800 /nfs/dbraw/zinc/17/78/00/273177800.db2.gz JRGONTZXFWCLFS-HOCLYGCPSA-N 2 0 347.488 1.902 20 0 EDADRP O=C1NC2(CCC2)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000277775861 273226539 /nfs/dbraw/zinc/22/65/39/273226539.db2.gz KOPRGDNVKZRGSY-UHFFFAOYSA-N 2 0 343.431 1.068 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)/C=C/C=C/C(=O)N[C@@H](C)CC[NH+](C)C ZINC000280766836 273395754 /nfs/dbraw/zinc/39/57/54/273395754.db2.gz BKYLRSYVPACXGA-AANMNFATSA-N 2 0 338.496 1.012 20 0 EDADRP CN1CC[C@H]([NH2+]CCCN2C(=O)NC(C)(C)C2=O)[C@H]1c1ccccc1 ZINC000284227807 274124628 /nfs/dbraw/zinc/12/46/28/274124628.db2.gz KCXHCBNTFPIHNA-JKSUJKDBSA-N 2 0 344.459 1.742 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000284238273 274128864 /nfs/dbraw/zinc/12/88/64/274128864.db2.gz YODUZNGSPCYAHQ-QGZVFWFLSA-N 2 0 346.475 1.006 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975674 452721194 /nfs/dbraw/zinc/72/11/94/452721194.db2.gz DMTWYGOKKLJCEP-GVDBMIGSSA-N 2 0 325.497 1.629 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000355381328 276396626 /nfs/dbraw/zinc/39/66/26/276396626.db2.gz HICZMGGTFOFKFE-SQNIBIBYSA-N 2 0 335.492 1.715 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)nc2)CC1 ZINC000126207231 276930539 /nfs/dbraw/zinc/93/05/39/276930539.db2.gz KAYJLIRJUCBIAJ-SFHVURJKSA-N 2 0 343.475 1.646 20 0 EDADRP COC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353505779 277112705 /nfs/dbraw/zinc/11/27/05/277112705.db2.gz YUCLMAIYZNONMU-DAYGRLMNSA-N 2 0 342.480 1.122 20 0 EDADRP CC(C)(CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000269241185 277300141 /nfs/dbraw/zinc/30/01/41/277300141.db2.gz QWOQTHKUJQBUHW-KRWDZBQOSA-N 2 0 331.460 1.318 20 0 EDADRP CC(C)(CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000364594706 277302213 /nfs/dbraw/zinc/30/22/13/277302213.db2.gz WSTCBPSKJPDPSV-PXNSSMCTSA-N 2 0 327.472 1.939 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000154925170 277626051 /nfs/dbraw/zinc/62/60/51/277626051.db2.gz TVXOBGZHMFBYBP-JKSUJKDBSA-N 2 0 346.475 1.930 20 0 EDADRP C[C@@H](CNC(=O)NCCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000417563104 278274471 /nfs/dbraw/zinc/27/44/71/278274471.db2.gz CWCWPWWTZOPLJO-KRWDZBQOSA-N 2 0 347.507 1.101 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000072974840 278333251 /nfs/dbraw/zinc/33/32/51/278333251.db2.gz YIMQFDDSNWMOSZ-ZWKOTPCHSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000370662378 278341533 /nfs/dbraw/zinc/34/15/33/278341533.db2.gz KYBXPXUVNSVLGR-LJQANCHMSA-N 2 0 339.524 1.720 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000351595361 279124099 /nfs/dbraw/zinc/12/40/99/279124099.db2.gz PTVUYHVMPUKHQY-ARFHVFGLSA-N 2 0 328.501 1.059 20 0 EDADRP CC(C)C[C@H](C[NH2+]CC1(O)CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000497084109 279162829 /nfs/dbraw/zinc/16/28/29/279162829.db2.gz SMHNQKLPUJCJIL-OAHLLOKOSA-N 2 0 343.512 1.972 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)C1CC1 ZINC000102064755 279193561 /nfs/dbraw/zinc/19/35/61/279193561.db2.gz XHIMZIAXUYEIHM-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132279 279302299 /nfs/dbraw/zinc/30/22/99/279302299.db2.gz VHMCXHSBBJYFHO-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP CC(C)N1CC[C@H]([NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000355550226 279529869 /nfs/dbraw/zinc/52/98/69/279529869.db2.gz GBNIASZUVMBKPV-NUJGCVRESA-N 2 0 337.508 1.817 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000236726844 279839680 /nfs/dbraw/zinc/83/96/80/279839680.db2.gz WHDXKAATMHWLJJ-HZPDHXFCSA-N 2 0 327.538 1.954 20 0 EDADRP C[C@]1(CNc2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112702 280160591 /nfs/dbraw/zinc/16/05/91/280160591.db2.gz DFEOFYIRYZMYFE-APWZRJJASA-N 2 0 330.476 1.795 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+](C)C ZINC000369164223 280174680 /nfs/dbraw/zinc/17/46/80/280174680.db2.gz OJYAQNLYFTYDNA-QZTJIDSGSA-N 2 0 332.492 1.996 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000287312669 288207221 /nfs/dbraw/zinc/20/72/21/288207221.db2.gz GXAKLFDUPZGNCM-FUHWJXTLSA-N 2 0 332.492 1.800 20 0 EDADRP CC[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000422244364 280353574 /nfs/dbraw/zinc/35/35/74/280353574.db2.gz LHCIBVLOUCKGEC-KZYLPZIUSA-N 2 0 340.512 1.346 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000287665816 288289588 /nfs/dbraw/zinc/28/95/88/288289588.db2.gz VNDRSXLAKGFTQH-HUUCEWRRSA-N 2 0 327.428 1.889 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000287944123 288362926 /nfs/dbraw/zinc/36/29/26/288362926.db2.gz GFXQRDMFWSARBK-INIZCTEOSA-N 2 0 347.507 1.680 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736442 282036052 /nfs/dbraw/zinc/03/60/52/282036052.db2.gz MPQKVDZMKICNLT-YJBOKZPZSA-N 2 0 344.503 1.902 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000291598257 289119293 /nfs/dbraw/zinc/11/92/93/289119293.db2.gz GVUGTIACXOAWDS-UYAOXDASSA-N 2 0 342.487 1.998 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000378120470 289131342 /nfs/dbraw/zinc/13/13/42/289131342.db2.gz HUQSIFHGAWCGRV-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000417675725 289178054 /nfs/dbraw/zinc/17/80/54/289178054.db2.gz CMNNGKXFSYBNLS-HZPDHXFCSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000417015245 289358175 /nfs/dbraw/zinc/35/81/75/289358175.db2.gz MFZXNZWUXOLFLH-ZIAGYGMSSA-N 2 0 332.439 1.793 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000418772901 289891113 /nfs/dbraw/zinc/89/11/13/289891113.db2.gz UZOQTJGLAUERJZ-KGLIPLIRSA-N 2 0 330.423 1.357 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000248961330 290143026 /nfs/dbraw/zinc/14/30/26/290143026.db2.gz HQOYSYXUZSPRKQ-NVXWUHKLSA-N 2 0 325.416 1.231 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000121272574 290401308 /nfs/dbraw/zinc/40/13/08/290401308.db2.gz LRBPASQRCQPWCL-HOCLYGCPSA-N 2 0 331.526 1.558 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1 ZINC000333684934 295224227 /nfs/dbraw/zinc/22/42/27/295224227.db2.gz PEKZXAAPNBJVTI-DACLVMHWSA-N 2 0 346.475 1.533 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886880 295255829 /nfs/dbraw/zinc/25/58/29/295255829.db2.gz JWEJQTLNVCLWOL-FHWLQOOXSA-N 3 0 344.503 1.601 20 0 EDADRP CSC1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CC[NH+](C)CC1 ZINC000418193573 295576195 /nfs/dbraw/zinc/57/61/95/295576195.db2.gz BYGFLANNRCUFMQ-UHFFFAOYSA-N 2 0 340.537 1.599 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC[NH+](C)CC1 ZINC000418192916 295576716 /nfs/dbraw/zinc/57/67/16/295576716.db2.gz AWYCZVAXQZXJSZ-MRXNPFEDSA-N 2 0 340.537 1.599 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@]2([NH+](C)C)CCCSC2)C[C@@H]1[NH+](C)C ZINC000371364469 295648523 /nfs/dbraw/zinc/64/85/23/295648523.db2.gz NROFYVPHNZLVNT-GUTXKFCHSA-N 2 0 331.551 1.318 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418552087 304511934 /nfs/dbraw/zinc/51/19/34/304511934.db2.gz LZVCSVUHTNTQOE-DLBZAZTESA-N 2 0 348.491 1.957 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418635491 304522950 /nfs/dbraw/zinc/52/29/50/304522950.db2.gz KTEFPUNIJNUKAU-WMZOPIPTSA-N 2 0 334.464 1.317 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCCCCC1 ZINC000418895400 304545827 /nfs/dbraw/zinc/54/58/27/304545827.db2.gz CSOADASNYVBCGK-CABCVRRESA-N 2 0 338.496 1.001 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419485418 304624902 /nfs/dbraw/zinc/62/49/02/304624902.db2.gz VLQRUHCWBDPGOE-JKSUJKDBSA-N 2 0 338.496 1.001 20 0 EDADRP O=C1[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1CC(F)(F)F ZINC000294205272 303077208 /nfs/dbraw/zinc/07/72/08/303077208.db2.gz MCNOGIRLBOQXKI-AWEZNQCLSA-N 2 0 342.365 1.803 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnn(C)n3)CC2)c1 ZINC000294290654 303087745 /nfs/dbraw/zinc/08/77/45/303087745.db2.gz WMDWPTJBPBASLP-UHFFFAOYSA-N 2 0 342.491 1.816 20 0 EDADRP C[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000295045774 303166950 /nfs/dbraw/zinc/16/69/50/303166950.db2.gz PCBWZEIHSHNULA-HNNXBMFYSA-N 2 0 330.476 1.537 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000295210605 303189059 /nfs/dbraw/zinc/18/90/59/303189059.db2.gz ALXPVBGTMNMOFP-SFHVURJKSA-N 2 0 346.519 1.699 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000375704307 303391734 /nfs/dbraw/zinc/39/17/34/303391734.db2.gz BFMKYIUEZFFDRZ-MKXGPGLRSA-N 2 0 345.487 1.691 20 0 EDADRP CN1CCN(c2ncc(CN3CC[NH2+]Cc4ccccc43)cn2)CC1 ZINC000414853311 447329139 /nfs/dbraw/zinc/32/91/39/447329139.db2.gz XKQJVZVLNGAKON-UHFFFAOYSA-N 2 0 338.459 1.338 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000414857972 447330381 /nfs/dbraw/zinc/33/03/81/447330381.db2.gz GWYMADYEBPVTOW-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC[NH2+]1 ZINC000656787794 453447734 /nfs/dbraw/zinc/44/77/34/453447734.db2.gz VUBCIZLUJSYQCB-WYUUTHIRSA-N 2 0 328.400 1.282 20 0 EDADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414873782 447337335 /nfs/dbraw/zinc/33/73/35/447337335.db2.gz HAQBUYHNPJYHQS-UHFFFAOYSA-N 2 0 346.353 1.171 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418752887 303897839 /nfs/dbraw/zinc/89/78/39/303897839.db2.gz UQLNWZVYQIQIBY-ZIAGYGMSSA-N 2 0 330.423 1.644 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000422591085 304873313 /nfs/dbraw/zinc/87/33/13/304873313.db2.gz BLRZLXWTRGXSGJ-INIZCTEOSA-N 2 0 334.439 1.966 20 0 EDADRP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H](C)N1CCO ZINC000456240392 447347185 /nfs/dbraw/zinc/34/71/85/447347185.db2.gz KXHJHNBIZCQAPC-IYBDPMFKSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423096663 304885833 /nfs/dbraw/zinc/88/58/33/304885833.db2.gz HZDHXTBIMAHHCF-GXTWGEPZSA-N 2 0 345.896 1.739 20 0 EDADRP Cn1cc(C(=O)NCCC[NH+]2CCCCCC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423310038 304892077 /nfs/dbraw/zinc/89/20/77/304892077.db2.gz REUTVWYRLFTKOD-INIZCTEOSA-N 2 0 347.507 1.883 20 0 EDADRP CC1(C)[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCCO[C@@H]21 ZINC000423385910 304894348 /nfs/dbraw/zinc/89/43/48/304894348.db2.gz KZMDALJZZFJLDM-FQUUOJAGSA-N 2 0 335.414 1.616 20 0 EDADRP [NH3+]CCCn1cc(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)nn1 ZINC000423401811 304894561 /nfs/dbraw/zinc/89/45/61/304894561.db2.gz XLEWVHBSAJMGSI-MRXNPFEDSA-N 2 0 348.495 1.355 20 0 EDADRP CC(C)(C)[C@@H](O)C[C@H](CO)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425893202 304976155 /nfs/dbraw/zinc/97/61/55/304976155.db2.gz BUNQZEJCRBUING-CJNGLKHVSA-N 2 0 325.453 1.389 20 0 EDADRP COCC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000428755315 305016747 /nfs/dbraw/zinc/01/67/47/305016747.db2.gz XANBGUIHQLXQFY-HXUWFJFHSA-N 2 0 345.487 1.737 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC(F)(F)C1 ZINC000429262922 305026939 /nfs/dbraw/zinc/02/69/39/305026939.db2.gz WIVCOBSHTVLENG-AWEZNQCLSA-N 2 0 332.439 1.842 20 0 EDADRP CCN(C[C@@H]1COc2ccccc2O1)C(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430571211 305056432 /nfs/dbraw/zinc/05/64/32/305056432.db2.gz LPNVWJHWGOIVAR-DNVCBOLYSA-N 2 0 349.475 1.638 20 0 EDADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430614468 305059082 /nfs/dbraw/zinc/05/90/82/305059082.db2.gz ZIAAETLBORIDJB-HZPDHXFCSA-N 2 0 346.475 1.417 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000430774683 305064666 /nfs/dbraw/zinc/06/46/66/305064666.db2.gz DISWLZUDWBQIQJ-KBAYOESNSA-N 2 0 337.508 1.901 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)[C@@H]1c1cccs1 ZINC000430809168 305065157 /nfs/dbraw/zinc/06/51/57/305065157.db2.gz GDWJHPWNMBDKFX-JKIFEVAISA-N 2 0 337.489 1.626 20 0 EDADRP C[NH2+]CCCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430877781 305066695 /nfs/dbraw/zinc/06/66/95/305066695.db2.gz KARFQDSGNNDFED-OAHLLOKOSA-N 2 0 332.448 1.322 20 0 EDADRP CCCN(CC(=O)NCc1cccc(COC)c1)C1CC[NH2+]CC1 ZINC000431073432 305074149 /nfs/dbraw/zinc/07/41/49/305074149.db2.gz XZWSHTXBDMQAIU-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1CN(C)CCO1 ZINC000431989756 305085476 /nfs/dbraw/zinc/08/54/76/305085476.db2.gz DNXAUYYAHPOXNF-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000432824058 305095487 /nfs/dbraw/zinc/09/54/87/305095487.db2.gz NKDZDODHAZBUAR-INIZCTEOSA-N 2 0 327.513 1.419 20 0 EDADRP COc1cc(OC)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1F ZINC000433160739 305102183 /nfs/dbraw/zinc/10/21/83/305102183.db2.gz PFNGDCFFJKJWJK-UHFFFAOYSA-N 2 0 339.411 1.985 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433376333 305106731 /nfs/dbraw/zinc/10/67/31/305106731.db2.gz NFLBROLIPXYGPS-HUUCEWRRSA-N 2 0 334.468 1.007 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380170 305106884 /nfs/dbraw/zinc/10/68/84/305106884.db2.gz ZITPDQRLOYCDRY-ILXRZTDVSA-N 2 0 334.468 1.053 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433402272 305108114 /nfs/dbraw/zinc/10/81/14/305108114.db2.gz WTZYNFIOBTVLGA-PMPSAXMXSA-N 2 0 333.480 1.752 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000436144768 305153065 /nfs/dbraw/zinc/15/30/65/305153065.db2.gz QWEQFKFOACBIOH-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000436516473 305159333 /nfs/dbraw/zinc/15/93/33/305159333.db2.gz YWLJVFLPEKQHSG-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CC[NH2+]2)CC1 ZINC000444266242 305244883 /nfs/dbraw/zinc/24/48/83/305244883.db2.gz BWEJZLBGXNJBIZ-XJKSGUPXSA-N 2 0 334.439 1.507 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000447434543 305280317 /nfs/dbraw/zinc/28/03/17/305280317.db2.gz HKENGWNQTKRKST-QGZVFWFLSA-N 2 0 335.448 1.141 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449102948 305306704 /nfs/dbraw/zinc/30/67/04/305306704.db2.gz NBFWEMOSMQZKES-ZXDRNQKISA-N 2 0 325.497 1.756 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@@H](C)O1 ZINC000449318654 305311221 /nfs/dbraw/zinc/31/12/21/305311221.db2.gz WSOABKZUAPTAEX-MBOZVWFJSA-N 2 0 345.487 1.533 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449360635 305312517 /nfs/dbraw/zinc/31/25/17/305312517.db2.gz HRCPPWSDAHMUIB-PKOBYXMFSA-N 2 0 333.476 1.391 20 0 EDADRP C[C@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000452064892 305381529 /nfs/dbraw/zinc/38/15/29/305381529.db2.gz GTPBABKKNZIHJD-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]1CF ZINC000454430523 305426704 /nfs/dbraw/zinc/42/67/04/305426704.db2.gz SAKGGQZSHVCVKZ-KRWDZBQOSA-N 2 0 349.454 1.737 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458410228 447351388 /nfs/dbraw/zinc/35/13/88/447351388.db2.gz FLFHUSHFNHVDGJ-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP O=C(/C=C/[C@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493694709 305623142 /nfs/dbraw/zinc/62/31/42/305623142.db2.gz SHDSNDZZIGVIOP-YATRRXNKSA-N 2 0 344.459 1.303 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CCC(O)CC3)CC2)CC1 ZINC000515292806 305718231 /nfs/dbraw/zinc/71/82/31/305718231.db2.gz CDAKCYBSTLHSFG-UHFFFAOYSA-N 2 0 337.508 1.604 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000414917294 447356180 /nfs/dbraw/zinc/35/61/80/447356180.db2.gz RFAUMMMEWFLKMQ-IBGZPJMESA-N 2 0 349.475 1.689 20 0 EDADRP Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(C)c1 ZINC000516277291 305735755 /nfs/dbraw/zinc/73/57/55/305735755.db2.gz XBHKEUKAOAKZJR-SFHVURJKSA-N 2 0 333.520 1.779 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000516458875 305737033 /nfs/dbraw/zinc/73/70/33/305737033.db2.gz OJJGHBNYLIEXTE-WFXMFSGNSA-N 2 0 335.492 1.510 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1F ZINC000529307610 305907559 /nfs/dbraw/zinc/90/75/59/305907559.db2.gz CVSASEZGZLAARY-INIZCTEOSA-N 2 0 334.439 1.971 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000536538488 306021884 /nfs/dbraw/zinc/02/18/84/306021884.db2.gz XTRZEXBYILLRNO-LJQANCHMSA-N 2 0 342.487 1.653 20 0 EDADRP C[N@H+](CCC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000545309349 306083986 /nfs/dbraw/zinc/08/39/86/306083986.db2.gz YAJIKCBNIXZMOD-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000547296876 306097735 /nfs/dbraw/zinc/09/77/35/306097735.db2.gz BWCIDORHDKDMSK-PKOBYXMFSA-N 2 0 346.475 1.189 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000556749385 306215465 /nfs/dbraw/zinc/21/54/65/306215465.db2.gz PMYRXJZPWAEZIT-QGZVFWFLSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)C(=O)Nc1cccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000556938083 306221418 /nfs/dbraw/zinc/22/14/18/306221418.db2.gz WXVUUUPHKWPWRG-OAHLLOKOSA-N 2 0 333.436 1.388 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000557151037 306224985 /nfs/dbraw/zinc/22/49/85/306224985.db2.gz CEKFYJLMNOKQNB-QGZVFWFLSA-N 2 0 348.491 1.550 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000557228168 306226952 /nfs/dbraw/zinc/22/69/52/306226952.db2.gz NSUQRTLUUJASDY-RDJZCZTQSA-N 2 0 346.475 1.570 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000414949225 447370306 /nfs/dbraw/zinc/37/03/06/447370306.db2.gz ZEVCAOFBQOGFLU-CJNGLKHVSA-N 2 0 332.448 1.189 20 0 EDADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000414957898 447374009 /nfs/dbraw/zinc/37/40/09/447374009.db2.gz CDAHNPKZZNLSSI-SJLPKXTDSA-N 2 0 346.475 1.417 20 0 EDADRP COCC1(C[NH2+]Cc2ccnn2-c2ccccc2OC)CC[NH2+]CC1 ZINC000414967736 447379102 /nfs/dbraw/zinc/37/91/02/447379102.db2.gz DLYRATIMZRHQGS-UHFFFAOYSA-N 2 0 344.459 1.987 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000422170581 447385745 /nfs/dbraw/zinc/38/57/45/447385745.db2.gz FJUHTYXFVOXNQA-QGZVFWFLSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@]1(CNc2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CC[NH2+]C1 ZINC000415112703 447390082 /nfs/dbraw/zinc/39/00/82/447390082.db2.gz DFEOFYIRYZMYFE-LPHOPBHVSA-N 2 0 330.476 1.795 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000458501821 447390857 /nfs/dbraw/zinc/39/08/57/447390857.db2.gz JIXWHZNKGBRXHL-ZBFHGGJFSA-N 2 0 328.526 1.548 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CCSC1 ZINC000458526775 447400073 /nfs/dbraw/zinc/40/00/73/447400073.db2.gz WMTBGPJENBCYGL-SJORKVTESA-N 2 0 340.537 1.551 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)C[C@H]1CCC[NH+]1C)CCC(F)(F)F ZINC000422210056 447405142 /nfs/dbraw/zinc/40/51/42/447405142.db2.gz SSFVLYSNXODVHL-CYBMUJFWSA-N 2 0 338.418 1.996 20 0 EDADRP CCCN(C(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000415394390 447414434 /nfs/dbraw/zinc/41/44/34/447414434.db2.gz QIELCJCJQDEJDR-MRXNPFEDSA-N 2 0 346.475 1.330 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419810209 447426058 /nfs/dbraw/zinc/42/60/58/447426058.db2.gz LIFREBSMRAHPMA-DLBZAZTESA-N 2 0 348.491 1.237 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000415428363 447429239 /nfs/dbraw/zinc/42/92/39/447429239.db2.gz OMRFGSDARSJDAV-KRWDZBQOSA-N 2 0 348.491 1.957 20 0 EDADRP COCC(C)(C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000426394711 447433441 /nfs/dbraw/zinc/43/34/41/447433441.db2.gz KOPBNAQBCKCTSE-QGZVFWFLSA-N 2 0 327.513 1.386 20 0 EDADRP COc1cccc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000057157342 441093324 /nfs/dbraw/zinc/09/33/24/441093324.db2.gz OIEFTHWCNKCRBX-UHFFFAOYSA-N 2 0 335.492 1.970 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000057844047 441138146 /nfs/dbraw/zinc/13/81/46/441138146.db2.gz CRKRZQNTHZIXQV-UHFFFAOYSA-N 2 0 332.448 1.415 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000047885309 441232922 /nfs/dbraw/zinc/23/29/22/441232922.db2.gz HSDARXVAKYFPAB-HZPDHXFCSA-N 2 0 340.512 1.658 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000072085640 441205434 /nfs/dbraw/zinc/20/54/34/441205434.db2.gz ZHQPVLMYENSVNX-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000073726284 441347508 /nfs/dbraw/zinc/34/75/08/441347508.db2.gz PZMGSANDBCPWDF-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958167 441429027 /nfs/dbraw/zinc/42/90/27/441429027.db2.gz WKYBIGTWACBAEQ-KRWDZBQOSA-N 2 0 337.508 1.678 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109172774 441490735 /nfs/dbraw/zinc/49/07/35/441490735.db2.gz UNRKEBDCPYLIFX-HOTGVXAUSA-N 2 0 328.501 1.109 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066175455 441508527 /nfs/dbraw/zinc/50/85/27/441508527.db2.gz FKQHPAYZHUYWCY-DLBZAZTESA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000089962763 441607101 /nfs/dbraw/zinc/60/71/01/441607101.db2.gz UQGQNNSGGDTWDG-GBESFXJTSA-N 2 0 345.487 1.612 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000113604593 441617972 /nfs/dbraw/zinc/61/79/72/441617972.db2.gz ATMOXBXXCSESGI-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113645463 441622024 /nfs/dbraw/zinc/62/20/24/441622024.db2.gz YKRVEFFTEOLJSC-MRXNPFEDSA-N 2 0 346.475 1.139 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)NC)c3)C2)CC1 ZINC000113997730 441630831 /nfs/dbraw/zinc/63/08/31/441630831.db2.gz RJIQGKGBNGBZPD-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114023001 441630898 /nfs/dbraw/zinc/63/08/98/441630898.db2.gz SGTFYXCUZVGQNF-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000173408050 441737227 /nfs/dbraw/zinc/73/72/27/441737227.db2.gz DQTZMMAPRSYNMZ-IRXDYDNUSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173410133 441740023 /nfs/dbraw/zinc/74/00/23/441740023.db2.gz FBKOXPGFIFVWSJ-ROUUACIJSA-N 2 0 332.492 1.907 20 0 EDADRP COCc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000092615650 441813806 /nfs/dbraw/zinc/81/38/06/441813806.db2.gz BNKOQZWVYGHBOE-UHFFFAOYSA-N 2 0 333.476 1.723 20 0 EDADRP COc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc(OC)c1 ZINC000092615678 441814006 /nfs/dbraw/zinc/81/40/06/441814006.db2.gz PAXJUQBMOPOWTL-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP CCNC(=O)c1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123312176 441883718 /nfs/dbraw/zinc/88/37/18/441883718.db2.gz WVSXHUJQBYIJSB-RHSMWYFYSA-N 2 0 346.475 1.789 20 0 EDADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405436 441886029 /nfs/dbraw/zinc/88/60/29/441886029.db2.gz HVUPLXHSNJHXDH-GJZGRUSLSA-N 2 0 330.480 1.633 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474270 442096244 /nfs/dbraw/zinc/09/62/44/442096244.db2.gz IBBCTULQGRNQQG-IIAWOOMASA-N 2 0 325.478 1.283 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079460624 442050253 /nfs/dbraw/zinc/05/02/53/442050253.db2.gz YYZHSQGXAGGCTE-OAHLLOKOSA-N 2 0 329.448 1.398 20 0 EDADRP CC[N@H+](C)CCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069818993 442050766 /nfs/dbraw/zinc/05/07/66/442050766.db2.gz IYYBAFGOPDMZFF-GOSISDBHSA-N 2 0 347.507 1.226 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151874448 442133687 /nfs/dbraw/zinc/13/36/87/442133687.db2.gz PSQQVKHFWNDPIM-XLIONFOSSA-N 2 0 346.519 1.586 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162570195 442104700 /nfs/dbraw/zinc/10/47/00/442104700.db2.gz RRDJMOBFLYQLAA-QUCCMNQESA-N 2 0 345.535 1.519 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3=CCCOC3)c2)C1 ZINC000127159723 442175813 /nfs/dbraw/zinc/17/58/13/442175813.db2.gz NJYLFBKUNSJQAE-IBGZPJMESA-N 2 0 343.471 1.820 20 0 EDADRP C[N@H+](CCCOC(=O)NC(N)=O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121164539 442185829 /nfs/dbraw/zinc/18/58/29/442185829.db2.gz LVXMWUAGJHWPNZ-INIZCTEOSA-N 2 0 348.447 1.635 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000176198150 442189952 /nfs/dbraw/zinc/18/99/52/442189952.db2.gz NGGPCZPBGAQJEW-UHFFFAOYSA-N 2 0 347.507 1.137 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCN(c2ccccn2)C1 ZINC000164171896 442191349 /nfs/dbraw/zinc/19/13/49/442191349.db2.gz QIQLOJGGOOSMGY-INIZCTEOSA-N 2 0 347.463 1.072 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205800 442191594 /nfs/dbraw/zinc/19/15/94/442191594.db2.gz PIVWETUNDPEODI-GOEBONIOSA-N 2 0 331.526 1.558 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000164540516 442198188 /nfs/dbraw/zinc/19/81/88/442198188.db2.gz SYAQHSQVCWLUAB-MRXNPFEDSA-N 2 0 339.480 1.987 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000176023856 442162697 /nfs/dbraw/zinc/16/26/97/442162697.db2.gz AOJRENWNFDJHPO-MLHJIOFPSA-N 2 0 339.524 1.874 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000152905544 442250790 /nfs/dbraw/zinc/25/07/90/442250790.db2.gz YIOXWIQPVHXHEV-GOSISDBHSA-N 2 0 344.503 1.927 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000176339154 442211538 /nfs/dbraw/zinc/21/15/38/442211538.db2.gz NKCFPOXEAJJJCL-ZACQAIPSSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000176343997 442212555 /nfs/dbraw/zinc/21/25/55/442212555.db2.gz BBDMLQSBYAMMGQ-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000167417401 442221055 /nfs/dbraw/zinc/22/10/55/442221055.db2.gz LJDICQFNYVBIOU-RDTXWAMCSA-N 2 0 333.476 1.633 20 0 EDADRP CC[C@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CCN1CCOC ZINC000168065665 442222990 /nfs/dbraw/zinc/22/29/90/442222990.db2.gz HWMZMUYEAYAKDR-INIZCTEOSA-N 2 0 348.491 1.595 20 0 EDADRP C[C@@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000168749206 442225426 /nfs/dbraw/zinc/22/54/26/442225426.db2.gz UPWRKGJJBDVWNK-LJQANCHMSA-N 2 0 344.459 1.450 20 0 EDADRP CC(C)n1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cn1 ZINC000168952016 442225620 /nfs/dbraw/zinc/22/56/20/442225620.db2.gz OJYIJACEYHAZBX-QGZVFWFLSA-N 2 0 337.512 1.505 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@](C)(O)C[NH+](C)C)cc1)C(C)C ZINC000152665392 442235551 /nfs/dbraw/zinc/23/55/51/442235551.db2.gz OAKRJYYZLOSLQZ-IBGZPJMESA-N 2 0 335.492 1.959 20 0 EDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000130541548 442349213 /nfs/dbraw/zinc/34/92/13/442349213.db2.gz UYGDQDHMDFXLTE-JKSUJKDBSA-N 2 0 332.448 1.529 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154967567 442367411 /nfs/dbraw/zinc/36/74/11/442367411.db2.gz BSXMUKGVARRGCR-KRWDZBQOSA-N 2 0 340.512 1.349 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCCC[NH+]3CCCC3)ccn2)CC1 ZINC000171791867 442381781 /nfs/dbraw/zinc/38/17/81/442381781.db2.gz KLFFCUKYIHDLHU-UHFFFAOYSA-N 2 0 331.464 1.049 20 0 EDADRP COC(=O)CCNC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757781 442355470 /nfs/dbraw/zinc/35/54/70/442355470.db2.gz PBIOXLQQLXLXDH-MRXNPFEDSA-N 2 0 339.480 1.110 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000130880796 442358951 /nfs/dbraw/zinc/35/89/51/442358951.db2.gz WGHCRBMRDWTMLM-HNNXBMFYSA-N 2 0 331.460 1.259 20 0 EDADRP CCN1CCO[C@H](C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000154852100 442360815 /nfs/dbraw/zinc/36/08/15/442360815.db2.gz NMTDJWIXQYCRMP-ICSRJNTNSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000178522719 442441281 /nfs/dbraw/zinc/44/12/81/442441281.db2.gz NMGWBQNRDKDJHD-XLIONFOSSA-N 3 0 346.519 1.728 20 0 EDADRP C[C@@H](O)C1CC[NH+](CCOCC[NH+]2CCC([C@@H](C)O)CC2)CC1 ZINC000178700223 442458295 /nfs/dbraw/zinc/45/82/95/442458295.db2.gz YAJCXBRLKLWTPP-HZPDHXFCSA-N 2 0 328.497 1.189 20 0 EDADRP COC1(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831742 442497106 /nfs/dbraw/zinc/49/71/06/442497106.db2.gz XXEGTPUXQSYWQA-WBVHZDCISA-N 2 0 331.460 1.534 20 0 EDADRP CC[C@]1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000134584416 442497528 /nfs/dbraw/zinc/49/75/28/442497528.db2.gz MNZXILWVSDAQJP-LJQANCHMSA-N 2 0 346.475 1.126 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[C@@H]1CCSC1 ZINC000156449458 442481417 /nfs/dbraw/zinc/48/14/17/442481417.db2.gz JHSAWAQWHZGMFM-HZPDHXFCSA-N 2 0 325.522 1.758 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000178954007 442537600 /nfs/dbraw/zinc/53/76/00/442537600.db2.gz FXWGCYCNRWDUDP-SFHVURJKSA-N 2 0 344.503 1.623 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)N1CCN(C)CC1 ZINC000180191598 442556146 /nfs/dbraw/zinc/55/61/46/442556146.db2.gz CMFXZCUYQSTGKW-CGTJXYLNSA-N 2 0 330.476 1.184 20 0 EDADRP CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178885917 442514727 /nfs/dbraw/zinc/51/47/27/442514727.db2.gz YOEGTZLNPGFDPW-CVEARBPZSA-N 2 0 333.480 1.323 20 0 EDADRP CN(C(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000178885946 442514901 /nfs/dbraw/zinc/51/49/01/442514901.db2.gz YOEGTZLNPGFDPW-JKSUJKDBSA-N 2 0 333.480 1.323 20 0 EDADRP C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000134733810 442517309 /nfs/dbraw/zinc/51/73/09/442517309.db2.gz KZOJEXDBIRJWIN-HOTGVXAUSA-N 2 0 343.537 1.607 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187149963 442657378 /nfs/dbraw/zinc/65/73/78/442657378.db2.gz KMWOPPMZUTXJFY-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@]1(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)CCCC[NH2+]1 ZINC000180988792 442673480 /nfs/dbraw/zinc/67/34/80/442673480.db2.gz KVTCZLKGFRVITI-HKUYNNGSSA-N 2 0 331.460 1.708 20 0 EDADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000188445788 442750844 /nfs/dbraw/zinc/75/08/44/442750844.db2.gz VMOKVEKILCFDHD-PMACEKPBSA-N 2 0 348.487 1.784 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000188133686 442714812 /nfs/dbraw/zinc/71/48/12/442714812.db2.gz MDXAETDLYGOOCG-DAYGRLMNSA-N 2 0 325.497 1.756 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000246561942 442792741 /nfs/dbraw/zinc/79/27/41/442792741.db2.gz ZCJYHTLEJAYJNG-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CCC[C@H]3CO)CC2)cc1 ZINC000246427494 442780481 /nfs/dbraw/zinc/78/04/81/442780481.db2.gz MKDZQHDWTAGUGS-IBGZPJMESA-N 2 0 345.487 1.486 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@@H](C)C1 ZINC000246464634 442783055 /nfs/dbraw/zinc/78/30/55/442783055.db2.gz PODCVGNMBZEXGP-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000246944220 442823978 /nfs/dbraw/zinc/82/39/78/442823978.db2.gz HTXNITWKJOJWGA-IKGGRYGDSA-N 2 0 327.538 1.514 20 0 EDADRP C[C@@H](NC(=O)/C=C/C[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000265640164 442857757 /nfs/dbraw/zinc/85/77/57/442857757.db2.gz LRGLMUXIVVJGQX-LLYBFZRZSA-N 2 0 348.466 1.873 20 0 EDADRP CN1CCC(CNC(=O)COC(C)(C)C)([NH+]2CCCCC2)CC1 ZINC000183073309 442874028 /nfs/dbraw/zinc/87/40/28/442874028.db2.gz IFCFJBUYLAQYAD-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000182410455 318505277 /nfs/dbraw/zinc/50/52/77/318505277.db2.gz QKHLWQRTRVZRPT-DLBZAZTESA-N 2 0 345.553 1.350 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)ccc1OC ZINC000189364078 442929168 /nfs/dbraw/zinc/92/91/68/442929168.db2.gz IFZSLZHQFUIORD-HNNXBMFYSA-N 2 0 349.475 1.889 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194654041 442932240 /nfs/dbraw/zinc/93/22/40/442932240.db2.gz LQZCQRYZHDFXGU-QGZVFWFLSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@@H+](C)CC)cc1 ZINC000189448801 442955944 /nfs/dbraw/zinc/95/59/44/442955944.db2.gz LNOHLNCJWWRXCG-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@H]1C[NH+](CCCNc2cc(-n3cccn3)nc(N)[nH+]2)C[C@H](C)O1 ZINC000268409236 442978656 /nfs/dbraw/zinc/97/86/56/442978656.db2.gz OFQHCTVIKYSRDO-STQMWFEESA-N 2 0 331.424 1.156 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000249088104 442950962 /nfs/dbraw/zinc/95/09/62/442950962.db2.gz UEBFXSWMMUSVLY-IAGOWNOFSA-N 2 0 327.538 1.609 20 0 EDADRP CN(CC[N@H+](C)C1CC1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184693359 443060452 /nfs/dbraw/zinc/06/04/52/443060452.db2.gz WIROKPWTDNGQHR-GOSISDBHSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)c2)CC1 ZINC000185075750 443130840 /nfs/dbraw/zinc/13/08/40/443130840.db2.gz BASBZQADDBTRMV-IPMKNSEASA-N 2 0 342.487 1.243 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268976974 443163990 /nfs/dbraw/zinc/16/39/90/443163990.db2.gz JKSFPYMUDMEVGT-MRXNPFEDSA-N 3 0 335.492 1.734 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261784654 443169951 /nfs/dbraw/zinc/16/99/51/443169951.db2.gz LKWRTVIFUTXBJV-LJWDBELGSA-N 2 0 326.238 1.571 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000237624845 443177165 /nfs/dbraw/zinc/17/71/65/443177165.db2.gz UMQQPUHMNSKRAP-MAUKXSAKSA-N 2 0 330.476 1.386 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000245390088 443221422 /nfs/dbraw/zinc/22/14/22/443221422.db2.gz KRQJCIGPNHGGLZ-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000269185253 443225726 /nfs/dbraw/zinc/22/57/26/443225726.db2.gz JFEZYPDIWITLRC-QFBILLFUSA-N 2 0 344.503 1.552 20 0 EDADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269194881 443228745 /nfs/dbraw/zinc/22/87/45/443228745.db2.gz LDJKBZWTPMOEKU-IAGOWNOFSA-N 2 0 345.491 1.098 20 0 EDADRP C[C@H](O)CCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269202431 443231014 /nfs/dbraw/zinc/23/10/14/443231014.db2.gz IFCQBAVTRJAJHA-INIZCTEOSA-N 2 0 349.479 1.006 20 0 EDADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269207130 443233366 /nfs/dbraw/zinc/23/33/66/443233366.db2.gz ODZNSAFNFUKVLM-QZTJIDSGSA-N 2 0 344.503 1.703 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)CN1CCC(c2ncc[nH]2)CC1 ZINC000266701608 443213428 /nfs/dbraw/zinc/21/34/28/443213428.db2.gz CUCWIAMGLPPLIL-AWEZNQCLSA-N 2 0 336.436 1.293 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262853966 443214496 /nfs/dbraw/zinc/21/44/96/443214496.db2.gz VQTRXGWOLJXYIR-HOTGVXAUSA-N 2 0 331.464 1.366 20 0 EDADRP CN(CC[NH+](C)C1CC1)c1cc(N(C)CC[N@H+](C)C2CC2)ncn1 ZINC000185737177 443248146 /nfs/dbraw/zinc/24/81/46/443248146.db2.gz RLWMRNWMADARIY-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP COC(=O)CC1([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)CCCC1 ZINC000411661907 319193716 /nfs/dbraw/zinc/19/37/16/319193716.db2.gz WHWCOVAKRUKPCV-UHFFFAOYSA-N 2 0 339.480 1.441 20 0 EDADRP CCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1OCC ZINC000412678936 319239011 /nfs/dbraw/zinc/23/90/11/319239011.db2.gz VYEAPASXJZUJSY-RTBURBONSA-N 2 0 347.503 1.982 20 0 EDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201873 319318784 /nfs/dbraw/zinc/31/87/84/319318784.db2.gz YIBAZZPCTRORMV-UONOGXRCSA-N 2 0 325.478 1.717 20 0 EDADRP CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000414201933 319319014 /nfs/dbraw/zinc/31/90/14/319319014.db2.gz SYZCXFLNSKTZKM-QZTJIDSGSA-N 2 0 339.524 1.576 20 0 EDADRP Cc1ccncc1[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203917 319319349 /nfs/dbraw/zinc/31/93/49/319319349.db2.gz VRYXFWFXILLYDL-QGZVFWFLSA-N 2 0 332.492 1.837 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(OCc3ccccc3)CC2)C1 ZINC000414682621 319341903 /nfs/dbraw/zinc/34/19/03/319341903.db2.gz RTFDRXPZMDKNAI-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414685685 319342237 /nfs/dbraw/zinc/34/22/37/319342237.db2.gz DIJBSMOUAIONMV-LSDHHAIUSA-N 2 0 337.430 1.961 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415081676 319345827 /nfs/dbraw/zinc/34/58/27/319345827.db2.gz KSZKODJIJGUYMV-UHFFFAOYSA-N 2 0 330.432 1.171 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC[NH3+] ZINC000415242306 319356206 /nfs/dbraw/zinc/35/62/06/319356206.db2.gz UMHAVKFGPQJNGO-UHFFFAOYSA-N 2 0 335.452 1.260 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1Oc1ccncc1 ZINC000415793448 319370732 /nfs/dbraw/zinc/37/07/32/319370732.db2.gz UVICFTJTPPUCQT-CHWSQXEVSA-N 2 0 342.399 1.973 20 0 EDADRP CS[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1[NH+](C)C ZINC000415892744 319382506 /nfs/dbraw/zinc/38/25/06/319382506.db2.gz JJEQMOIKGIEIMR-HOTGVXAUSA-N 2 0 334.489 1.842 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970618 319386122 /nfs/dbraw/zinc/38/61/22/319386122.db2.gz FHDVRAKABJVVDO-OAHLLOKOSA-N 2 0 333.480 1.540 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000415972510 319386559 /nfs/dbraw/zinc/38/65/59/319386559.db2.gz MRFKBJVBSIJBRL-QGZVFWFLSA-N 2 0 346.475 1.982 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)C(C)(C)C ZINC000416003479 319389181 /nfs/dbraw/zinc/38/91/81/319389181.db2.gz GUPRLMVGTPIRIF-WDEREUQCSA-N 2 0 326.407 1.932 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000416002575 319389352 /nfs/dbraw/zinc/38/93/52/319389352.db2.gz FDWGNGQERLVPJA-UBHSHLNASA-N 2 0 348.413 1.924 20 0 EDADRP CC[N@H+](CC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)C1CC1 ZINC000246241059 443282598 /nfs/dbraw/zinc/28/25/98/443282598.db2.gz HUUGKYJNDLRZAG-IAGOWNOFSA-N 2 0 336.524 1.488 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000246067669 443264866 /nfs/dbraw/zinc/26/48/66/443264866.db2.gz ZSCGFMJVBVECGN-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000185835465 443266498 /nfs/dbraw/zinc/26/64/98/443266498.db2.gz PBGQIIBMLQJIAA-CVEARBPZSA-N 2 0 341.544 1.288 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000416827489 319464340 /nfs/dbraw/zinc/46/43/40/319464340.db2.gz CTCBAHACHLSBLL-HOCLYGCPSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000417333132 319492793 /nfs/dbraw/zinc/49/27/93/319492793.db2.gz PLBPMOGAYJPPJY-HUUCEWRRSA-N 2 0 348.491 1.942 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000264653120 443362806 /nfs/dbraw/zinc/36/28/06/443362806.db2.gz GXUUWUNEDCDABR-QGZVFWFLSA-N 2 0 344.503 1.899 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1cccc(OCC[NH+](C)C)c1 ZINC000282731981 443418565 /nfs/dbraw/zinc/41/85/65/443418565.db2.gz MQCGJXJGPTVTFA-KGLIPLIRSA-N 2 0 325.428 1.752 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420385204 319613773 /nfs/dbraw/zinc/61/37/73/319613773.db2.gz SNDAXVMXBVODLG-WMZOPIPTSA-N 2 0 325.497 1.853 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264815251 443438426 /nfs/dbraw/zinc/43/84/26/443438426.db2.gz YYGZTDKCFQYXBU-LJQANCHMSA-N 2 0 344.503 1.648 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1N1CCOCC1 ZINC000272653917 443398043 /nfs/dbraw/zinc/39/80/43/443398043.db2.gz NKKYMVVEHUCAAW-UHFFFAOYSA-N 2 0 346.519 1.593 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000269689787 443398001 /nfs/dbraw/zinc/39/80/01/443398001.db2.gz NTBQUTDBUGQKGQ-CKEIUWERSA-N 2 0 329.444 1.991 20 0 EDADRP O=CN1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000278828868 443454791 /nfs/dbraw/zinc/45/47/91/443454791.db2.gz TVASBWCJJBUCLL-IBGZPJMESA-N 2 0 331.460 1.354 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422735202 319735050 /nfs/dbraw/zinc/73/50/50/319735050.db2.gz DPGVQJRVYUZZBT-APWZRJJASA-N 2 0 347.503 1.500 20 0 EDADRP COc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422978669 319744551 /nfs/dbraw/zinc/74/45/51/319744551.db2.gz KBKSGGZBNNYCCK-ROUUACIJSA-N 2 0 333.476 1.535 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000423308484 319763409 /nfs/dbraw/zinc/76/34/09/319763409.db2.gz OLXHMOYGTGZNRR-HNNXBMFYSA-N 2 0 337.489 1.770 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1cccc(C=O)c1 ZINC000265015378 443509411 /nfs/dbraw/zinc/50/94/11/443509411.db2.gz VGURWLLYGPCCRL-UHFFFAOYSA-N 2 0 349.475 1.610 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000272138033 443537924 /nfs/dbraw/zinc/53/79/24/443537924.db2.gz XSDNODAUKWXUNP-UHFFFAOYSA-N 2 0 346.475 1.688 20 0 EDADRP C[C@]1(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[NH2+]C1 ZINC000272936644 443495016 /nfs/dbraw/zinc/49/50/16/443495016.db2.gz BLJQVWCSBOHFRS-IBGZPJMESA-N 2 0 345.491 1.100 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]CN2CCC(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000273141039 443548472 /nfs/dbraw/zinc/54/84/72/443548472.db2.gz WUCQEKUNBHXCGS-HXUWFJFHSA-N 2 0 344.503 1.577 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)ccn2)CC1 ZINC000427276789 319894706 /nfs/dbraw/zinc/89/47/06/319894706.db2.gz YCIJTBLSMXJERX-MRXNPFEDSA-N 2 0 345.491 1.229 20 0 EDADRP O=C1CN(C2CC2)C(=O)N1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272329016 443593545 /nfs/dbraw/zinc/59/35/45/443593545.db2.gz CKJMYEMVANICJU-UHFFFAOYSA-N 2 0 343.431 1.020 20 0 EDADRP O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)NCC[C@H]1CCC[NH2+]1 ZINC000444274044 320124378 /nfs/dbraw/zinc/12/43/78/320124378.db2.gz WTSHDEWFGVQJAD-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP O=C(N1CCC2(CC[NH2+]CC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449483805 320191758 /nfs/dbraw/zinc/19/17/58/320191758.db2.gz CJOWURIVNFQSMI-HXUWFJFHSA-N 2 0 327.472 1.910 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1C ZINC000457481184 320327717 /nfs/dbraw/zinc/32/77/17/320327717.db2.gz DTYGEVHADJHCOG-JZXOWHBKSA-N 2 0 330.476 1.995 20 0 EDADRP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000286291504 443684503 /nfs/dbraw/zinc/68/45/03/443684503.db2.gz GAGZNSWKKNNYFP-CQSZACIVSA-N 2 0 334.489 1.881 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000519589450 320467756 /nfs/dbraw/zinc/46/77/56/320467756.db2.gz UZWKMGJSSNWLFQ-OAHLLOKOSA-N 2 0 331.464 1.702 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529351194 320576078 /nfs/dbraw/zinc/57/60/78/320576078.db2.gz QVZPBDLBCFPVOG-PMPSAXMXSA-N 2 0 336.480 1.199 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000298639112 443824734 /nfs/dbraw/zinc/82/47/34/443824734.db2.gz AUWZTCVVPLWICW-RTBURBONSA-N 2 0 342.487 1.971 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239744 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C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765728 444575202 /nfs/dbraw/zinc/57/52/02/444575202.db2.gz IUPGFDBPJMXSHL-BQRFXZSASA-N 2 0 335.492 1.284 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000338180757 444551300 /nfs/dbraw/zinc/55/13/00/444551300.db2.gz BUTLASCASPPZMR-JYJNAYRXSA-N 2 0 333.476 1.910 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cn4c(n3)CCCC4)CC[C@H]21 ZINC000332981008 444619259 /nfs/dbraw/zinc/61/92/59/444619259.db2.gz UYQGIOBKOUBJIM-GOEBONIOSA-N 2 0 331.464 1.845 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000333499549 444676507 /nfs/dbraw/zinc/67/65/07/444676507.db2.gz DDYNWMMVFUWBLP-SJORKVTESA-N 2 0 338.496 1.399 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[NH+](C)C ZINC000341107615 444677602 /nfs/dbraw/zinc/67/76/02/444677602.db2.gz WYUDYWFNPNSGLV-SFHVURJKSA-N 2 0 338.540 1.590 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000342341318 444641952 /nfs/dbraw/zinc/64/19/52/444641952.db2.gz SUICPGDVDIZEQK-RHSMWYFYSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333854075 444703165 /nfs/dbraw/zinc/70/31/65/444703165.db2.gz OEBICKNRAWJCQQ-CGTJXYLNSA-N 2 0 337.508 1.852 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)CC2)cn1 ZINC000333895334 444710923 /nfs/dbraw/zinc/71/09/23/444710923.db2.gz YZBVREDKHRQVEC-NVXWUHKLSA-N 2 0 348.495 1.118 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333927641 444721118 /nfs/dbraw/zinc/72/11/18/444721118.db2.gz WOSQEPRBEDMGLT-BPKGMFCQSA-N 2 0 338.496 1.125 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000333947451 444726593 /nfs/dbraw/zinc/72/65/93/444726593.db2.gz VPDJVQNOMZQXDA-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000342453116 444697538 /nfs/dbraw/zinc/69/75/38/444697538.db2.gz BYOWCHGKLRGYQH-DOTOQJQBSA-N 2 0 333.480 1.135 20 0 EDADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1CC(C)(C)O ZINC000334107990 444783309 /nfs/dbraw/zinc/78/33/09/444783309.db2.gz ZMQAXVKURZZRAN-WZYMTQMTSA-N 2 0 338.496 1.098 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2ccnn2C)CC1 ZINC000338548983 444743429 /nfs/dbraw/zinc/74/34/29/444743429.db2.gz KNRZIKNZYKRLGK-UHFFFAOYSA-N 2 0 349.523 1.523 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344125559 444795792 /nfs/dbraw/zinc/79/57/92/444795792.db2.gz IAQXLRSWXOYMHY-XMTFNYHQSA-N 2 0 328.497 1.189 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](C)[C@H](C)CC)C[C@H]1CC ZINC000342658086 444800660 /nfs/dbraw/zinc/80/06/60/444800660.db2.gz PYGIJGQWHNFYOU-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP CN1CCN(C(=O)NCCCn2ccnc2)C[C@@H]1Cc1ccccc1 ZINC000341379871 444802944 /nfs/dbraw/zinc/80/29/44/444802944.db2.gz PWUSELQGYWZYGB-SFHVURJKSA-N 2 0 341.459 1.842 20 0 EDADRP Cc1ccc(NCCCNC(=O)N2CCC(c3ncc[nH]3)CC2)nc1 ZINC000338756151 444839152 /nfs/dbraw/zinc/83/91/52/444839152.db2.gz HAEYXTSHOPDWJO-UHFFFAOYSA-N 2 0 342.447 2.504 20 0 EDADRP Cn1cc(C[N@H+](C)C2CCN(CCO)CC2)c(-c2ccccc2)n1 ZINC000342951036 444961373 /nfs/dbraw/zinc/96/13/73/444961373.db2.gz JKMKVBBEYAOXLT-UHFFFAOYSA-N 2 0 328.460 1.976 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000344510434 445023017 /nfs/dbraw/zinc/02/30/17/445023017.db2.gz GXTAEPQMQCYTOT-INIZCTEOSA-N 2 0 328.501 1.109 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cncn1C ZINC000339089969 445027865 /nfs/dbraw/zinc/02/78/65/445027865.db2.gz ABFDLBHVIVMOGC-KRWDZBQOSA-N 3 0 335.496 1.227 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000344548955 445052325 /nfs/dbraw/zinc/05/23/25/445052325.db2.gz OHSJPXMCIFDTNK-BRWVUGGUSA-N 2 0 338.496 1.005 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[NH+]1CCC1)Cc1ccccc1 ZINC000337385268 445057980 /nfs/dbraw/zinc/05/79/80/445057980.db2.gz HHFFJTNQWCYSHP-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000337354570 445044443 /nfs/dbraw/zinc/04/44/43/445044443.db2.gz AOAGUAFOROPSBP-IRXDYDNUSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000337558528 445136536 /nfs/dbraw/zinc/13/65/36/445136536.db2.gz YUVYVWLIZGYKNH-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342116608 445181427 /nfs/dbraw/zinc/18/14/27/445181427.db2.gz YDBJQDAIWBAEHU-BHYGNILZSA-N 2 0 331.460 1.713 20 0 EDADRP C(C[NH+]1CCOCC1)C1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000343313743 445194462 /nfs/dbraw/zinc/19/44/62/445194462.db2.gz KBAIHZCFTXVUOU-KDURUIRLSA-N 2 0 337.508 1.284 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000339549147 445149232 /nfs/dbraw/zinc/14/92/32/445149232.db2.gz WHHGXRMJNOIISV-KURKYZTESA-N 2 0 334.508 1.987 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278048 445210574 /nfs/dbraw/zinc/21/05/74/445210574.db2.gz PJMIXIXWKXUJKR-CVEARBPZSA-N 2 0 339.528 1.137 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343374847 445212158 /nfs/dbraw/zinc/21/21/58/445212158.db2.gz UTOVTVUYFIEHLL-HKUYNNGSSA-N 2 0 349.523 1.505 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1=O ZINC000343410801 445217750 /nfs/dbraw/zinc/21/77/50/445217750.db2.gz SDOGHKQJSSHLDI-DLBZAZTESA-N 2 0 345.491 1.448 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)c1=O ZINC000343410802 445217760 /nfs/dbraw/zinc/21/77/60/445217760.db2.gz SDOGHKQJSSHLDI-IAGOWNOFSA-N 2 0 345.491 1.448 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000347005158 445229255 /nfs/dbraw/zinc/22/92/55/445229255.db2.gz BFISKCKFIVGJHU-UVPYHEFZSA-N 2 0 340.464 1.389 20 0 EDADRP C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147265 445232841 /nfs/dbraw/zinc/23/28/41/445232841.db2.gz MOIVXMUTRSTJEK-JKSUJKDBSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347694095 445245267 /nfs/dbraw/zinc/24/52/67/445245267.db2.gz QUJHMNFYRZYGSZ-CQSZACIVSA-N 2 0 331.460 1.455 20 0 EDADRP CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343599741 445257490 /nfs/dbraw/zinc/25/74/90/445257490.db2.gz DUKIPIDEHGPPBB-CYBMUJFWSA-N 2 0 325.453 1.003 20 0 EDADRP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347951995 445257790 /nfs/dbraw/zinc/25/77/90/445257790.db2.gz JMISKOYNQSQSHY-LSDHHAIUSA-N 2 0 339.480 1.251 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000348108159 445271598 /nfs/dbraw/zinc/27/15/98/445271598.db2.gz JNVLPRWAZKZVQG-MWDXBVQZSA-N 2 0 338.496 1.364 20 0 EDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1C[C@@H](F)CN1Cc1ncccn1 ZINC000348119539 445277405 /nfs/dbraw/zinc/27/74/05/445277405.db2.gz MSZQHYXMTBTJJI-IXDOHACOSA-N 2 0 335.471 1.805 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000351790401 445322921 /nfs/dbraw/zinc/32/29/21/445322921.db2.gz PAXJANJKWWGLNV-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N(C)C[C@H]1C[C@H](OC)C[N@@H+]1C ZINC000348705293 445349709 /nfs/dbraw/zinc/34/97/09/445349709.db2.gz RKBPHVSSEXWPSR-CABCVRRESA-N 2 0 331.526 1.239 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362396771 445359209 /nfs/dbraw/zinc/35/92/09/445359209.db2.gz PUHODEOKAHGMNZ-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH+]3CCC([C@H]4CC[NH2+]C4)CC3)C2=O)cn1 ZINC000357070293 445405946 /nfs/dbraw/zinc/40/59/46/445405946.db2.gz GCUOHVCYTYFMEU-DOTOQJQBSA-N 2 0 331.464 1.237 20 0 EDADRP c1cc(-c2noc(CN3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc2c1OCO2 ZINC000357091756 445422898 /nfs/dbraw/zinc/42/28/98/445422898.db2.gz WWHWXEGXNUIJSL-CHWSQXEVSA-N 2 0 328.372 1.507 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349008000 445474264 /nfs/dbraw/zinc/47/42/64/445474264.db2.gz VYIMGYFBOZBSNU-CRAIPNDOSA-N 2 0 331.460 1.392 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000348898958 445433065 /nfs/dbraw/zinc/43/30/65/445433065.db2.gz ZCVHOZBBUSKYEY-KRWDZBQOSA-N 2 0 337.508 1.727 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000355387215 445457803 /nfs/dbraw/zinc/45/78/03/445457803.db2.gz SQTYETQATIZLQX-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000362665075 445485975 /nfs/dbraw/zinc/48/59/75/445485975.db2.gz COXYYTYRYAAAPA-HOCLYGCPSA-N 2 0 340.512 1.467 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362856163 445583108 /nfs/dbraw/zinc/58/31/08/445583108.db2.gz PZZVGHXTYQPFES-WBVHZDCISA-N 2 0 325.497 1.534 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000362911137 445607475 /nfs/dbraw/zinc/60/74/75/445607475.db2.gz QUTLJPGJSXYDKB-GOSISDBHSA-N 2 0 347.507 1.781 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000353456408 445610033 /nfs/dbraw/zinc/61/00/33/445610033.db2.gz ZOSPBXNLLLCEPK-IAGOWNOFSA-N 2 0 345.491 1.228 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000349645577 445633297 /nfs/dbraw/zinc/63/32/97/445633297.db2.gz OJJKZFNYWAGTOK-GVDBMIGSSA-N 2 0 340.512 1.659 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000357921149 445593599 /nfs/dbraw/zinc/59/35/99/445593599.db2.gz PREFPLMWYVKBCD-DLBZAZTESA-N 2 0 341.544 1.432 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000358563584 445652568 /nfs/dbraw/zinc/65/25/68/445652568.db2.gz IEVHMHKHUHEGDI-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358638310 445688310 /nfs/dbraw/zinc/68/83/10/445688310.db2.gz USGFCGICMCFUMY-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000349833339 445692499 /nfs/dbraw/zinc/69/24/99/445692499.db2.gz KXAJIOPALLZQJT-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356403383 445773430 /nfs/dbraw/zinc/77/34/30/445773430.db2.gz UMDTZMYVMNCADB-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CN(C)CCO3)CC2)c1 ZINC000363261435 445744714 /nfs/dbraw/zinc/74/47/14/445744714.db2.gz JOGLZSKSPSPDHU-SFHVURJKSA-N 2 0 331.460 1.406 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000353796695 445760323 /nfs/dbraw/zinc/76/03/23/445760323.db2.gz PHMLQKSSQQOKHT-OLQSNFDLSA-N 2 0 337.508 1.756 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCSC1 ZINC000358865268 445818828 /nfs/dbraw/zinc/81/88/28/445818828.db2.gz MHTPOMSIKMKSJM-GDBMZVCRSA-N 2 0 325.453 1.422 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353944487 445822466 /nfs/dbraw/zinc/82/24/66/445822466.db2.gz UTMRSSNUILMPEV-QGZVFWFLSA-N 2 0 342.553 1.941 20 0 EDADRP C[N@H+](C[C@H](O)Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481548 445823098 /nfs/dbraw/zinc/82/30/98/445823098.db2.gz TUBBSDZEKYPDLE-VQTJNVASSA-N 2 0 331.504 1.690 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000358877124 445826590 /nfs/dbraw/zinc/82/65/90/445826590.db2.gz DIMBIHJLNBGULN-RHSMWYFYSA-N 2 0 335.423 1.049 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000358825977 445795907 /nfs/dbraw/zinc/79/59/07/445795907.db2.gz LVANZGSNQJXKQY-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CCCC2)C1 ZINC000350283911 445805756 /nfs/dbraw/zinc/80/57/56/445805756.db2.gz ATDLDJNEUFSIHA-DOTOQJQBSA-N 2 0 325.497 1.866 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000350288144 445807847 /nfs/dbraw/zinc/80/78/47/445807847.db2.gz REJJFOBBTOCKNX-KSZLIROESA-N 2 0 339.524 1.924 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000350686260 445880152 /nfs/dbraw/zinc/88/01/52/445880152.db2.gz VPSCWWXYAARZIA-MRXNPFEDSA-N 2 0 325.497 1.602 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000363871849 445880347 /nfs/dbraw/zinc/88/03/47/445880347.db2.gz IFBHRCWXAHHDDO-OKZBNKHCSA-N 2 0 337.508 1.724 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000363520359 445843580 /nfs/dbraw/zinc/84/35/80/445843580.db2.gz QJGKGJXQSMNCHW-BRWVUGGUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361609997 445846453 /nfs/dbraw/zinc/84/64/53/445846453.db2.gz KXCQHMABZXWQAS-IYBDPMFKSA-N 2 0 345.491 1.171 20 0 EDADRP C[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000390986102 325734273 /nfs/dbraw/zinc/73/42/73/325734273.db2.gz KMLKHGUEXJHFPZ-IBGZPJMESA-N 2 0 330.476 1.063 20 0 EDADRP COCC[C@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000361717835 445895640 /nfs/dbraw/zinc/89/56/40/445895640.db2.gz IZTDGSXXLRSOMJ-HXUWFJFHSA-N 2 0 345.487 1.567 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000364120418 445896096 /nfs/dbraw/zinc/89/60/96/445896096.db2.gz IXPWIYAJAZXPBL-HNNXBMFYSA-N 2 0 339.443 1.402 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000361729831 445902634 /nfs/dbraw/zinc/90/26/34/445902634.db2.gz UZLXOUSKAANHDC-SJLPKXTDSA-N 2 0 325.497 1.631 20 0 EDADRP O=C([C@H]1CCCc2nccn21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000366040598 445976238 /nfs/dbraw/zinc/97/62/38/445976238.db2.gz MVPFYEAPKCNYQW-MRXNPFEDSA-N 2 0 331.464 1.001 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000369209912 445995908 /nfs/dbraw/zinc/99/59/08/445995908.db2.gz QPSIQIBBPPFYAH-HXUWFJFHSA-N 2 0 344.503 1.096 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000361793030 445951685 /nfs/dbraw/zinc/95/16/85/445951685.db2.gz TYLGHYYIPJWFJX-IIAWOOMASA-N 2 0 331.526 1.507 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091879 446018855 /nfs/dbraw/zinc/01/88/55/446018855.db2.gz GMQNTJJXMCNYKQ-ZMSDIMECSA-N 2 0 347.507 1.550 20 0 EDADRP CC(C)OCCC[N@H+](C)[C@@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000354225497 446021225 /nfs/dbraw/zinc/02/12/25/446021225.db2.gz XWAQHSWXYSBVQK-KRWDZBQOSA-N 2 0 348.491 1.866 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCn1ccnc1C ZINC000356793990 446026942 /nfs/dbraw/zinc/02/69/42/446026942.db2.gz LYBQNDBKEDEZLE-INIZCTEOSA-N 2 0 349.479 1.079 20 0 EDADRP O=C(N[C@H]1CCc2[nH]cnc2C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000366082700 446002105 /nfs/dbraw/zinc/00/21/05/446002105.db2.gz DBHBVHQTBXKCFD-HNNXBMFYSA-N 2 0 331.464 1.784 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583080969 325994966 /nfs/dbraw/zinc/99/49/66/325994966.db2.gz FALPHYZNFQLWBG-SZMVWBNQSA-N 2 0 330.476 1.089 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000583206724 326026586 /nfs/dbraw/zinc/02/65/86/326026586.db2.gz HYPVUTMUZSOXOS-CQSZACIVSA-N 2 0 333.480 1.796 20 0 EDADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(=O)NCC[NH+](C)C ZINC000583403323 326066082 /nfs/dbraw/zinc/06/60/82/326066082.db2.gz VRTYBJRWCDIABM-HNNXBMFYSA-N 2 0 346.475 1.079 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1c(F)cncc1F ZINC000583953949 326172690 /nfs/dbraw/zinc/17/26/90/326172690.db2.gz ZXXLOQFYRQKYFF-GFCCVEGCSA-N 2 0 343.422 1.556 20 0 EDADRP CCc1cccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000356858471 446077353 /nfs/dbraw/zinc/07/73/53/446077353.db2.gz XROLAXUMTPSTGI-KRWDZBQOSA-N 2 0 334.508 1.685 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnnc1C ZINC000362040665 446173118 /nfs/dbraw/zinc/17/31/18/446173118.db2.gz VYOTUHCJFOVQHI-OAHLLOKOSA-N 2 0 334.468 1.665 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000362072093 446193038 /nfs/dbraw/zinc/19/30/38/446193038.db2.gz KLVRGKNILPJARU-LPHOPBHVSA-N 2 0 345.487 1.459 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359371398 446179279 /nfs/dbraw/zinc/17/92/79/446179279.db2.gz CVPDKRRNMCRVRY-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370159116 446186431 /nfs/dbraw/zinc/18/64/31/446186431.db2.gz FKXPHOPBEXZTLW-CVEARBPZSA-N 2 0 345.491 1.373 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000370353518 446243293 /nfs/dbraw/zinc/24/32/93/446243293.db2.gz OOZYJIFDXQOTNB-WCXIOVBPSA-N 2 0 341.521 1.074 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)C(C)C ZINC000359401811 446202656 /nfs/dbraw/zinc/20/26/56/446202656.db2.gz QSXSZNLUXHWQTF-HOTGVXAUSA-N 2 0 340.512 1.020 20 0 EDADRP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000370307458 446224882 /nfs/dbraw/zinc/22/48/82/446224882.db2.gz HEHCYMDDRIXZMX-IKGGRYGDSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnccc2N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370372857 446251430 /nfs/dbraw/zinc/25/14/30/446251430.db2.gz FIAHDRKSTMQZJN-WBVHZDCISA-N 2 0 345.491 1.246 20 0 EDADRP Cn1nnnc1CN1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000366588506 446271718 /nfs/dbraw/zinc/27/17/18/446271718.db2.gz CIKHPZLEDICVJT-UHFFFAOYSA-N 2 0 326.448 1.698 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000359545134 446283351 /nfs/dbraw/zinc/28/33/51/446283351.db2.gz PBARLTIVWBVHHD-JYJNAYRXSA-N 2 0 337.464 1.793 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373886616 446339765 /nfs/dbraw/zinc/33/97/65/446339765.db2.gz UKWMFIJVKGOUKO-AEFFLSMTSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410889191 446351104 /nfs/dbraw/zinc/35/11/04/446351104.db2.gz YDCYCSBOQSRWTK-MRXNPFEDSA-N 2 0 340.512 1.118 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417508671 446357026 /nfs/dbraw/zinc/35/70/26/446357026.db2.gz TZKIGBVSNCIRGW-QRVBRYPASA-N 2 0 342.487 1.412 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[NH+](C)C)c1 ZINC000370612606 446357954 /nfs/dbraw/zinc/35/79/54/446357954.db2.gz OJBUDJIVDJZZEV-MSOLQXFVSA-N 2 0 331.460 1.756 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417524519 446361591 /nfs/dbraw/zinc/36/15/91/446361591.db2.gz SNAWWYSSJWBJMR-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417831972 446374345 /nfs/dbraw/zinc/37/43/45/446374345.db2.gz SQOJMIIVBROSDW-BPQIPLTHSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccn1 ZINC000417947659 446395825 /nfs/dbraw/zinc/39/58/25/446395825.db2.gz HYOQNDCSCQWSJG-XYPWUTKMSA-N 2 0 347.463 1.104 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[NH+](CCC[NH+]4CCCC4)C[C@H]3C2)no1 ZINC000366885773 446398154 /nfs/dbraw/zinc/39/81/54/446398154.db2.gz PADRVPRRPYZRNS-HOTGVXAUSA-N 2 0 333.480 1.482 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000418059009 446427373 /nfs/dbraw/zinc/42/73/73/446427373.db2.gz SBDPSGMNUFIXIF-IBGZPJMESA-N 2 0 332.492 1.980 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)CCC(F)(F)F ZINC000418061828 446427960 /nfs/dbraw/zinc/42/79/60/446427960.db2.gz BDEWZWRIMFJXHK-SNVBAGLBSA-N 2 0 346.344 1.557 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132840 446434641 /nfs/dbraw/zinc/43/46/41/446434641.db2.gz VAXJNJDOENDRFV-WBVHZDCISA-N 2 0 336.480 1.269 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132838 446435235 /nfs/dbraw/zinc/43/52/35/446435235.db2.gz VAXJNJDOENDRFV-NVXWUHKLSA-N 2 0 336.480 1.269 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NCC1CC[NH+](C2CC2)CC1 ZINC000418087164 446437446 /nfs/dbraw/zinc/43/74/46/446437446.db2.gz FXXQLFSRQLAXAZ-UHFFFAOYSA-N 2 0 345.491 1.735 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]1C ZINC000418100919 446440590 /nfs/dbraw/zinc/44/05/90/446440590.db2.gz FPWOOPWCOMIKKL-XYJFISCASA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287524 446452910 /nfs/dbraw/zinc/45/29/10/446452910.db2.gz IAJDKFJJAIWHEF-JQHSSLGASA-N 2 0 332.492 1.465 20 0 EDADRP c1nc2c(n1[C@@H]1CC[N@@H+](CCN3C[C@H]4CC[C@@H](C3)O4)C1)CCCC2 ZINC000432079342 446448727 /nfs/dbraw/zinc/44/87/27/446448727.db2.gz NEJKDPHGFDOSCA-ZACQAIPSSA-N 2 0 330.476 1.872 20 0 EDADRP COc1ccc(Nc2cc(NC[C@H]3C[NH2+]CCO3)ncn2)c(OC)c1 ZINC000420288120 446453275 /nfs/dbraw/zinc/45/32/75/446453275.db2.gz SAFWKAXGWYWVDA-CYBMUJFWSA-N 2 0 345.403 1.638 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CC1(C)C ZINC000366930487 446414862 /nfs/dbraw/zinc/41/48/62/446414862.db2.gz SMSTWZCCCPJFHL-HXUWFJFHSA-N 2 0 344.547 1.919 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000418011923 446415632 /nfs/dbraw/zinc/41/56/32/446415632.db2.gz LIFXDAYVSLDVJB-AYBZRNKSSA-N 2 0 330.476 1.887 20 0 EDADRP C[N@H+](CCCN1C(=O)CNC1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374847456 446416375 /nfs/dbraw/zinc/41/63/75/446416375.db2.gz RUFLQCFMUDFUCE-UHFFFAOYSA-N 2 0 345.447 1.172 20 0 EDADRP COC(=O)[C@H](C)C[N@@H+]1CCC2(C1)CC[NH+](C[C@@H](C)C(=O)OC)CC2 ZINC000367001973 446456605 /nfs/dbraw/zinc/45/66/05/446456605.db2.gz IIODMKIUWRPKBV-HUUCEWRRSA-N 2 0 340.464 1.393 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+](C)C)cc1 ZINC000418207204 446456893 /nfs/dbraw/zinc/45/68/93/446456893.db2.gz PCUYBRIPJAKSRD-XDNAFOTISA-N 2 0 346.475 1.594 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420309160 446472208 /nfs/dbraw/zinc/47/22/08/446472208.db2.gz OJTODYCAOGZXNM-XLAORIBOSA-N 3 0 330.476 1.075 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@H]2c2nccn2C)cc1 ZINC000420310688 446473984 /nfs/dbraw/zinc/47/39/84/446473984.db2.gz GOYDPNWZLKPCAG-RDJZCZTQSA-N 2 0 329.448 1.118 20 0 EDADRP COC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000423311763 446482913 /nfs/dbraw/zinc/48/29/13/446482913.db2.gz QMGBUTDBLZLZOJ-FQEVSTJZSA-N 2 0 345.487 1.915 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423307924 446483125 /nfs/dbraw/zinc/48/31/25/446483125.db2.gz HZGIIKRXUMHVNM-OAHLLOKOSA-N 2 0 333.480 1.729 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420319938 446486235 /nfs/dbraw/zinc/48/62/35/446486235.db2.gz PPVMOUWVNNDFSX-MRXNPFEDSA-N 2 0 325.497 1.631 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297396 446490318 /nfs/dbraw/zinc/49/03/18/446490318.db2.gz KTUQUYBBCFGVFU-IAGOWNOFSA-N 2 0 339.528 1.091 20 0 EDADRP C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326155 446493389 /nfs/dbraw/zinc/49/33/89/446493389.db2.gz XDSLKYPHWOBLKQ-ROUUACIJSA-N 2 0 336.524 1.395 20 0 EDADRP COC[C@]1(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423336475 446493652 /nfs/dbraw/zinc/49/36/52/446493652.db2.gz SUYZKNOHCQBJDY-JZXOWHBKSA-N 2 0 325.497 1.487 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423338659 446494137 /nfs/dbraw/zinc/49/41/37/446494137.db2.gz USPWAHPOMUGJEC-GASCZTMLSA-N 2 0 336.484 1.115 20 0 EDADRP COc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(C[N@@H+]2C[C@@H](O)C[C@@H]2C)c1 ZINC000432772973 446502578 /nfs/dbraw/zinc/50/25/78/446502578.db2.gz YTOQFOHZAWGWJX-DFEHZGFQSA-N 2 0 334.460 1.605 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423367163 446503893 /nfs/dbraw/zinc/50/38/93/446503893.db2.gz DCDGSDZLGZKIQL-OAHLLOKOSA-N 2 0 346.475 1.333 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420335961 446505931 /nfs/dbraw/zinc/50/59/31/446505931.db2.gz IGVYRLVPWHVAGG-SFHVURJKSA-N 2 0 345.487 1.818 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335368 446506110 /nfs/dbraw/zinc/50/61/10/446506110.db2.gz HFBVQLJOYAJMNV-QZTJIDSGSA-N 2 0 327.472 1.893 20 0 EDADRP Cc1cccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338236 446508084 /nfs/dbraw/zinc/50/80/84/446508084.db2.gz XOGMDRRJWXDKKE-JKSUJKDBSA-N 2 0 326.444 1.824 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000423377919 446509312 /nfs/dbraw/zinc/50/93/12/446509312.db2.gz BSNTUHCYHQBUII-MXWKQRLJSA-N 2 0 349.319 1.522 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000418356021 446512194 /nfs/dbraw/zinc/51/21/94/446512194.db2.gz GGAOAKANBGROSK-USXIJHARSA-N 2 0 340.512 1.381 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343748 446515723 /nfs/dbraw/zinc/51/57/23/446515723.db2.gz RNGKVTDKOSIXKD-BDXSIMOUSA-N 2 0 337.508 1.629 20 0 EDADRP Cc1ccccc1C[C@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329373 446497339 /nfs/dbraw/zinc/49/73/39/446497339.db2.gz GMRTUKMJNPDRQR-YTQUADARSA-N 2 0 329.488 1.974 20 0 EDADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCc1ccccc1 ZINC000420329782 446498519 /nfs/dbraw/zinc/49/85/19/446498519.db2.gz HJTLQVIINGLYAU-CALCHBBNSA-N 2 0 344.459 1.334 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000423361207 446499800 /nfs/dbraw/zinc/49/98/00/446499800.db2.gz RGPXSDANRJVMAW-AZUAARDMSA-N 2 0 345.487 1.293 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423360220 446500229 /nfs/dbraw/zinc/50/02/29/446500229.db2.gz QBNIXCBHOYJIHF-GJZGRUSLSA-N 2 0 333.480 1.727 20 0 EDADRP COc1ccccc1OCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420382438 446558779 /nfs/dbraw/zinc/55/87/79/446558779.db2.gz PTQDXOADVZVBPH-HNNXBMFYSA-N 2 0 331.420 1.461 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@@H+]1C[C@H](C)O ZINC000418481412 446558955 /nfs/dbraw/zinc/55/89/55/446558955.db2.gz DKFRYFMEZMIOSL-RLFYNMQTSA-N 2 0 348.491 1.693 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000418481776 446559767 /nfs/dbraw/zinc/55/97/67/446559767.db2.gz DQQYPNAPGBBDKR-AWEZNQCLSA-N 2 0 334.464 1.304 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418493372 446565351 /nfs/dbraw/zinc/56/53/51/446565351.db2.gz WFMNDUQYDAYQSG-IEBWSBKVSA-N 2 0 344.459 1.451 20 0 EDADRP Cn1cc([C@H]2[C@H](CNC(=O)CCn3ccnc3)CCC[N@@H+]2C)cn1 ZINC000370920106 446521444 /nfs/dbraw/zinc/52/14/44/446521444.db2.gz ZAHIDXYQRJYXNA-WMLDXEAASA-N 2 0 330.436 1.206 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000423416838 446524789 /nfs/dbraw/zinc/52/47/89/446524789.db2.gz RHSNNRXEWQDKEB-OAHLLOKOSA-N 2 0 340.512 1.153 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418394857 446527396 /nfs/dbraw/zinc/52/73/96/446527396.db2.gz SBSVZVXWSOUBHY-UKPHBRMFSA-N 2 0 336.455 1.674 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418411317 446534576 /nfs/dbraw/zinc/53/45/76/446534576.db2.gz PDUGDHNGQOBDSO-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000418418526 446536641 /nfs/dbraw/zinc/53/66/41/446536641.db2.gz XLZQPAHFWXQAFI-HOTGVXAUSA-N 2 0 326.485 1.114 20 0 EDADRP COc1ccc(C)cc1CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153350 446538801 /nfs/dbraw/zinc/53/88/01/446538801.db2.gz PIRYJIVZBKSZHR-UHFFFAOYSA-N 2 0 333.476 1.866 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423442481 446539508 /nfs/dbraw/zinc/53/95/08/446539508.db2.gz WOAFZNDPAGXDMG-NUEKZKHPSA-N 2 0 339.277 1.940 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)Cc3cnccn3)cn2)CC1 ZINC000453069699 446541533 /nfs/dbraw/zinc/54/15/33/446541533.db2.gz ULRJITWJIFIMJD-INIZCTEOSA-N 2 0 340.475 1.734 20 0 EDADRP COC1([C@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CCOCC1 ZINC000453079095 446543208 /nfs/dbraw/zinc/54/32/08/446543208.db2.gz OIXBRLRWVFMVRZ-INIZCTEOSA-N 2 0 348.491 1.507 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433391391 446568021 /nfs/dbraw/zinc/56/80/21/446568021.db2.gz RKBLIVXKQDSUDM-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420393780 446569020 /nfs/dbraw/zinc/56/90/20/446569020.db2.gz YNXLZTUOHBCBFX-MSOLQXFVSA-N 2 0 343.471 1.345 20 0 EDADRP CCc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420401816 446574184 /nfs/dbraw/zinc/57/41/84/446574184.db2.gz LGLTZGQYXKCCQL-RTBURBONSA-N 2 0 342.487 1.969 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCCN2CCc3sccc3C2)cn1 ZINC000375091352 446574626 /nfs/dbraw/zinc/57/46/26/446574626.db2.gz RURPFASASXBVPN-UHFFFAOYSA-N 2 0 344.484 1.993 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418550201 446589181 /nfs/dbraw/zinc/58/91/81/446589181.db2.gz LFWMAUOYCADKJI-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418550526 446590756 /nfs/dbraw/zinc/59/07/56/446590756.db2.gz ARCGNSSHGLIMCQ-KANFNMMFSA-N 2 0 342.487 1.758 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)OC3(CCOCC3)C2)CC1 ZINC000376608789 446602497 /nfs/dbraw/zinc/60/24/97/446602497.db2.gz GLHJKCRLCUHCSX-GOSISDBHSA-N 2 0 339.524 1.672 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@H]1CC ZINC000418596051 446608435 /nfs/dbraw/zinc/60/84/35/446608435.db2.gz BJFTYQKRLFAFLL-QGZVFWFLSA-N 2 0 338.496 1.439 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418698045 446652880 /nfs/dbraw/zinc/65/28/80/446652880.db2.gz GZEMUPNCEPXRKP-GPFWEFOESA-N 2 0 342.487 1.899 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000418737147 446660146 /nfs/dbraw/zinc/66/01/46/446660146.db2.gz VHMXGBIMKWONTG-ZIAGYGMSSA-N 2 0 339.509 1.652 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423732028 446666853 /nfs/dbraw/zinc/66/68/53/446666853.db2.gz SESMYCJRGSJGIO-BARDWOONSA-N 2 0 325.453 1.131 20 0 EDADRP CC(C)[C@H](CNC(=O)c1cccn1C1CC[NH2+]CC1)N1CCOCC1 ZINC000376719499 446675473 /nfs/dbraw/zinc/67/54/73/446675473.db2.gz DCKARFFPGWWYKT-SFHVURJKSA-N 2 0 348.491 1.499 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1C ZINC000418643893 446629846 /nfs/dbraw/zinc/62/98/46/446629846.db2.gz UUPYHWHWWZWZBI-HFTRVMKXSA-N 2 0 330.476 1.998 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418647378 446631941 /nfs/dbraw/zinc/63/19/41/446631941.db2.gz XWWVVOSTMLVODC-SFHVURJKSA-N 2 0 346.475 1.413 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000423764029 446693100 /nfs/dbraw/zinc/69/31/00/446693100.db2.gz WNFAUMCETRRXLX-LJQANCHMSA-N 2 0 347.459 1.252 20 0 EDADRP O=C(NC[C@@H]1C[C@H](F)C[NH2+]1)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000368202845 446706423 /nfs/dbraw/zinc/70/64/23/446706423.db2.gz QJXFMVHVRPJVLI-PVAVHDDUSA-N 2 0 337.414 1.854 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1)C(C)C ZINC000436119199 446722912 /nfs/dbraw/zinc/72/29/12/446722912.db2.gz BFLANIWISLFMQK-HNNXBMFYSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]1COc2ccccc2CN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423888256 446744817 /nfs/dbraw/zinc/74/48/17/446744817.db2.gz WNBJDCMKQWMRCB-OAHLLOKOSA-N 2 0 331.460 1.999 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000371290563 446748138 /nfs/dbraw/zinc/74/81/38/446748138.db2.gz DEHRCIXYKSZPOP-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@]1(C)CCCC[NH2+]1 ZINC000423933700 446785783 /nfs/dbraw/zinc/78/57/83/446785783.db2.gz SODSBTMZGNPQAZ-WDYCEAGBSA-N 2 0 347.507 1.794 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)NCc2ccc3c[nH+]cn3c2)CCCCCC1 ZINC000418982295 446845885 /nfs/dbraw/zinc/84/58/85/446845885.db2.gz RIZZDVPOBAFRDV-UHFFFAOYSA-N 2 0 343.431 1.118 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000424456864 446876151 /nfs/dbraw/zinc/87/61/51/446876151.db2.gz YAFCRPMLRHKOHF-IAGOWNOFSA-N 2 0 334.464 1.696 20 0 EDADRP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371472956 446878764 /nfs/dbraw/zinc/87/87/64/446878764.db2.gz JGKRWKWFRBDADJ-XLNTUCKNSA-N 2 0 329.488 1.603 20 0 EDADRP CCc1nc(CN2CCC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)C2)no1 ZINC000368471881 446884224 /nfs/dbraw/zinc/88/42/24/446884224.db2.gz UPIUZBMSJUEOOF-WZYMTQMTSA-N 2 0 333.480 1.811 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419096727 446921463 /nfs/dbraw/zinc/92/14/63/446921463.db2.gz CSSVZZYTUNCKFK-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000419129392 446938995 /nfs/dbraw/zinc/93/89/95/446938995.db2.gz BAEYUKHBTYDBPZ-RRQGHBQHSA-N 2 0 346.475 1.312 20 0 EDADRP C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442754387 446952606 /nfs/dbraw/zinc/95/26/06/446952606.db2.gz AUFPFNCWVKTELA-SJPCQFCGSA-N 2 0 344.459 1.617 20 0 EDADRP C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(CN2CCOCC2)cc1 ZINC000420979175 446952718 /nfs/dbraw/zinc/95/27/18/446952718.db2.gz VFVNVQCUNRQSJS-QGZVFWFLSA-N 2 0 333.476 1.017 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000419203149 447010013 /nfs/dbraw/zinc/01/00/13/447010013.db2.gz HOEOPFNABPOPSR-KRWDZBQOSA-N 2 0 346.475 1.011 20 0 EDADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443061676 447001976 /nfs/dbraw/zinc/00/19/76/447001976.db2.gz SDJGOSWTTMCIIR-QGZVFWFLSA-N 2 0 332.492 1.690 20 0 EDADRP COc1ccc([C@@H]2[C@@H](CNC(=O)NCC[NH+](C)C)CCC[N@@H+]2C)cc1 ZINC000372369776 447049938 /nfs/dbraw/zinc/04/99/38/447049938.db2.gz OIPOAJPDIFXXFR-SJLPKXTDSA-N 2 0 348.491 1.939 20 0 EDADRP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000425350402 447123265 /nfs/dbraw/zinc/12/32/65/447123265.db2.gz LMXNUNSRRGSHSG-JKSUJKDBSA-N 2 0 335.521 1.862 20 0 EDADRP CC(C)OC(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368826306 447137223 /nfs/dbraw/zinc/13/72/23/447137223.db2.gz UYCDGEMLWNUTDS-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000375892489 447127807 /nfs/dbraw/zinc/12/78/07/447127807.db2.gz VHWKIKUYRCFGNP-MOPGFXCFSA-N 2 0 347.503 1.527 20 0 EDADRP C[C@@H](CNC(=O)N[C@H](c1nccn1C)c1ccccc1F)[NH+](C)C ZINC000455428734 447128266 /nfs/dbraw/zinc/12/82/66/447128266.db2.gz HIBVVRUDOJPAPS-WFASDCNBSA-N 2 0 333.411 1.898 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000376046800 447233965 /nfs/dbraw/zinc/23/39/65/447233965.db2.gz RSWWLMRFRZTUJK-BURFUSLBSA-N 2 0 326.481 1.348 20 0 EDADRP COC[C@@H](C)NC(=[NH2+])NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000369025881 447271786 /nfs/dbraw/zinc/27/17/86/447271786.db2.gz FYDRMKQESMEKMS-NVXWUHKLSA-N 2 0 333.480 1.124 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369028373 447274127 /nfs/dbraw/zinc/27/41/27/447274127.db2.gz QATMHYODUKGBQP-IAGOWNOFSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458724731 447461982 /nfs/dbraw/zinc/46/19/82/447461982.db2.gz BOCFCKNJIOZFGP-CVEARBPZSA-N 2 0 340.512 1.253 20 0 EDADRP COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000382469810 447462517 /nfs/dbraw/zinc/46/25/17/447462517.db2.gz GUVXXONQJJKUKT-PBHICJAKSA-N 2 0 335.448 1.506 20 0 EDADRP C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940321 447506563 /nfs/dbraw/zinc/50/65/63/447506563.db2.gz QFTFPAGUOUXYCK-ICSRJNTNSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000427347419 447584516 /nfs/dbraw/zinc/58/45/16/447584516.db2.gz OIRCBRPMOYDZFK-NUJGCVRESA-N 2 0 337.508 1.819 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000398028099 447554541 /nfs/dbraw/zinc/55/45/41/447554541.db2.gz MMDJFDGTMJZSAK-RLLQIKCJSA-N 2 0 349.519 1.426 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427156240 447554712 /nfs/dbraw/zinc/55/47/12/447554712.db2.gz XIUFALCFSYKNJW-MSOLQXFVSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)COC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000398123658 447555667 /nfs/dbraw/zinc/55/56/67/447555667.db2.gz HOZDQMIDUQPTPX-WBVHZDCISA-N 2 0 331.460 1.534 20 0 EDADRP Cc1cnc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)nc1N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000450780405 447573122 /nfs/dbraw/zinc/57/31/22/447573122.db2.gz QHKAAJHXNGOVCM-HZMVEIRTSA-N 2 0 342.491 1.066 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457816909 447638751 /nfs/dbraw/zinc/63/87/51/447638751.db2.gz SJKRGGHQQDYORN-OWCLPIDISA-N 2 0 328.501 1.059 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+](C2CC2)C1 ZINC000457845181 447646776 /nfs/dbraw/zinc/64/67/76/447646776.db2.gz AFDHOKUHQXDXMT-HNNXBMFYSA-N 2 0 334.508 1.987 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000416816809 447691468 /nfs/dbraw/zinc/69/14/68/447691468.db2.gz HMVMRBBFDPCQRA-FUHWJXTLSA-N 2 0 346.475 1.883 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000422602750 447665056 /nfs/dbraw/zinc/66/50/56/447665056.db2.gz IANOWDXAQRMVQP-HUUCEWRRSA-N 2 0 326.485 1.181 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958592 447684729 /nfs/dbraw/zinc/68/47/29/447684729.db2.gz ZKNHOGJEHFTJFJ-SJORKVTESA-N 2 0 340.512 1.254 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416808769 447690032 /nfs/dbraw/zinc/69/00/32/447690032.db2.gz ACJHSZINGYIPJV-QGZVFWFLSA-N 2 0 334.464 1.741 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@H](C)C[NH3+])[NH+]2CCCCC2)cc1 ZINC000416812589 447690053 /nfs/dbraw/zinc/69/00/53/447690053.db2.gz LSVOFDANKRCAPI-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)C2CCCCC2)CC[NH2+]CC1 ZINC000422705849 447721944 /nfs/dbraw/zinc/72/19/44/447721944.db2.gz SIXRDPRKPGEBSA-HOCLYGCPSA-N 2 0 326.481 1.839 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429045216 447724187 /nfs/dbraw/zinc/72/41/87/447724187.db2.gz SJWVQIDELKOANQ-GOSISDBHSA-N 2 0 346.475 1.282 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164386 447731236 /nfs/dbraw/zinc/73/12/36/447731236.db2.gz BKVQWRMUWWSSMC-CVEARBPZSA-N 2 0 343.512 1.924 20 0 EDADRP C[NH+](C)C1(CN[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000422776447 447748178 /nfs/dbraw/zinc/74/81/78/447748178.db2.gz DOHVAKMUVXRKTD-OALUTQOASA-N 2 0 329.488 1.442 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000422816251 447757693 /nfs/dbraw/zinc/75/76/93/447757693.db2.gz DUVNOCBTGUZJRO-UKRRQHHQSA-N 2 0 325.478 1.544 20 0 EDADRP COC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000452087895 447814342 /nfs/dbraw/zinc/81/43/42/447814342.db2.gz PRNFFVBKIWEBEF-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000422916554 447772221 /nfs/dbraw/zinc/77/22/21/447772221.db2.gz DMLUXDKWYIDSTM-GJZGRUSLSA-N 2 0 333.432 1.159 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2=O)c1 ZINC000422919226 447772759 /nfs/dbraw/zinc/77/27/59/447772759.db2.gz JGSZBUYYCIMROZ-GUYCJALGSA-N 2 0 335.448 1.916 20 0 EDADRP CC(C)NS(=O)(=O)CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422949000 447778989 /nfs/dbraw/zinc/77/89/89/447778989.db2.gz TZOSZNLQZJIVGP-JKSUJKDBSA-N 2 0 325.478 1.397 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)C2CCCCC2)CC1 ZINC000451983444 447797088 /nfs/dbraw/zinc/79/70/88/447797088.db2.gz KTBSHGSRROWQSJ-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000487702538 447836193 /nfs/dbraw/zinc/83/61/93/447836193.db2.gz ZTEOKFLNPOWWPU-IRXDYDNUSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813955 447837246 /nfs/dbraw/zinc/83/72/46/447837246.db2.gz AVMZUBBZIKNZHF-TZNCUMHOSA-N 2 0 334.508 1.985 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000530343169 447864217 /nfs/dbraw/zinc/86/42/17/447864217.db2.gz WPYKJYGWWMZMNE-FPCVCCKLSA-N 2 0 340.464 1.533 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000569842943 447904149 /nfs/dbraw/zinc/90/41/49/447904149.db2.gz FAPNJWPUXANIME-CABCVRRESA-N 2 0 336.484 1.270 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000569957132 447927957 /nfs/dbraw/zinc/92/79/57/447927957.db2.gz MFXLYVQWZGLAMO-INMHGKMJSA-N 2 0 334.464 1.163 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000530678267 447938632 /nfs/dbraw/zinc/93/86/32/447938632.db2.gz BAPMOLHYKUEIQP-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](CC[NH3+])C(F)F)c2)CC1 ZINC000576111395 447976575 /nfs/dbraw/zinc/97/65/75/447976575.db2.gz XSFFEJSNWJQAPS-OAHLLOKOSA-N 2 0 340.418 1.146 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)c1 ZINC000570322535 447985632 /nfs/dbraw/zinc/98/56/32/447985632.db2.gz JQPAIARCVOHXPZ-ZWOKBUDYSA-N 3 0 349.519 1.698 20 0 EDADRP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531189054 448035858 /nfs/dbraw/zinc/03/58/58/448035858.db2.gz LLTKULZQPOIJIM-HNNXBMFYSA-N 2 0 348.495 1.922 20 0 EDADRP COc1ccc(O[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000531356852 448069486 /nfs/dbraw/zinc/06/94/86/448069486.db2.gz JNEFVWGIAXICCS-OAHLLOKOSA-N 2 0 337.464 1.414 20 0 EDADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000576626443 448098868 /nfs/dbraw/zinc/09/88/68/448098868.db2.gz FRZHUALYJUZKMM-AWEZNQCLSA-N 2 0 347.463 1.299 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000571075187 448107016 /nfs/dbraw/zinc/10/70/16/448107016.db2.gz OWUHOPZLRPUZNB-AEFFLSMTSA-N 2 0 349.475 1.706 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576688026 448114106 /nfs/dbraw/zinc/11/41/06/448114106.db2.gz MRJBRQPCFJPABC-QAPCUYQASA-N 2 0 330.476 1.948 20 0 EDADRP CC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000556723873 448144624 /nfs/dbraw/zinc/14/46/24/448144624.db2.gz BZRMOXCOSGMWMB-GBESFXJTSA-N 2 0 345.487 1.734 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000571575646 448173293 /nfs/dbraw/zinc/17/32/93/448173293.db2.gz YRKILSRMPVCCGE-UHFFFAOYSA-N 2 0 332.492 1.191 20 0 EDADRP CC[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1C ZINC000576980233 448185317 /nfs/dbraw/zinc/18/53/17/448185317.db2.gz MREJPXOYNUQVNP-MSOLQXFVSA-N 2 0 335.492 1.350 20 0 EDADRP Cc1c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1CC(C)C ZINC000527132566 448167532 /nfs/dbraw/zinc/16/75/32/448167532.db2.gz UJBIYBRWECNLPK-UHFFFAOYSA-N 2 0 338.500 1.805 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000514871802 448219531 /nfs/dbraw/zinc/21/95/31/448219531.db2.gz DIDBIRJUPYEEDJ-IYBDPMFKSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000577264966 448251948 /nfs/dbraw/zinc/25/19/48/448251948.db2.gz JOHRHYIDAAECBS-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000582721193 448320820 /nfs/dbraw/zinc/32/08/20/448320820.db2.gz WTEAPIIKCJMXNL-HQSKLWIPSA-N 2 0 332.444 1.844 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCSCc2ccccc2F)CC1 ZINC000572235674 448321493 /nfs/dbraw/zinc/32/14/93/448321493.db2.gz FONBVVMTMKDYAI-INIZCTEOSA-N 2 0 341.496 1.257 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515378154 448303965 /nfs/dbraw/zinc/30/39/65/448303965.db2.gz NKAKMSLPHBRGIH-GJZGRUSLSA-N 2 0 334.468 1.024 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCNc1cnccn1 ZINC000564824574 448340996 /nfs/dbraw/zinc/34/09/96/448340996.db2.gz KDSQFZVJBCALKX-QAPCUYQASA-N 2 0 325.416 1.734 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000564918930 448347249 /nfs/dbraw/zinc/34/72/49/448347249.db2.gz XCWXHXSIIUUTEZ-OAHLLOKOSA-N 2 0 337.387 1.641 20 0 EDADRP C[C@@H](CNCc1csc(-c2cnn(C)c2)n1)C[NH+]1CCN(C)CC1 ZINC000527653681 448331566 /nfs/dbraw/zinc/33/15/66/448331566.db2.gz OCVSBSGRRYKSJP-AWEZNQCLSA-N 2 0 348.520 1.517 20 0 EDADRP C[N@H+](CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C1CCCC1 ZINC000591553358 448387654 /nfs/dbraw/zinc/38/76/54/448387654.db2.gz ASAAXLHUWPNERH-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000566141024 448394600 /nfs/dbraw/zinc/39/46/00/448394600.db2.gz XHZCKCQCDYLFNI-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC[NH2+]CC1 ZINC000577843195 448399156 /nfs/dbraw/zinc/39/91/56/448399156.db2.gz LNWQQYWPWNHNLK-OAHLLOKOSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000577860273 448405123 /nfs/dbraw/zinc/40/51/23/448405123.db2.gz VFYFQGDFLPRCCN-RBSFLKMASA-N 2 0 337.430 1.553 20 0 EDADRP O=C(CCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1)N1CC[NH2+]CC1 ZINC000566242544 448427183 /nfs/dbraw/zinc/42/71/83/448427183.db2.gz UPCJKGCQALNOPV-MRXNPFEDSA-N 2 0 336.867 1.108 20 0 EDADRP C[C@@H]1CN(Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000577998643 448434102 /nfs/dbraw/zinc/43/41/02/448434102.db2.gz LXMKWASYCKDZTH-QAPCUYQASA-N 2 0 346.475 1.459 20 0 EDADRP CSc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000566326065 448446513 /nfs/dbraw/zinc/44/65/13/448446513.db2.gz DCAOHBMNAADFJI-UHFFFAOYSA-N 2 0 344.488 2.218 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000516772669 448471433 /nfs/dbraw/zinc/47/14/33/448471433.db2.gz LBOXVQCXPBRRBX-QGZVFWFLSA-N 2 0 325.497 1.820 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000591749056 448480587 /nfs/dbraw/zinc/48/05/87/448480587.db2.gz CIZNKKNMBHXFAV-NDUQDZPOSA-N 2 0 326.481 1.933 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000578190358 448481065 /nfs/dbraw/zinc/48/10/65/448481065.db2.gz DLSSUTHXWKWZHM-AEFFLSMTSA-N 2 0 345.491 1.612 20 0 EDADRP CC[NH2+]CCCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000517019665 448525042 /nfs/dbraw/zinc/52/50/42/448525042.db2.gz CQPDQNAQDPKYEQ-HNNXBMFYSA-N 2 0 333.480 1.906 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528367400 448500740 /nfs/dbraw/zinc/50/07/40/448500740.db2.gz IUWNXGNPGGFVGD-JZXOWHBKSA-N 2 0 340.508 1.474 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000517225278 448556246 /nfs/dbraw/zinc/55/62/46/448556246.db2.gz SXKVFUCINHNIME-DLBZAZTESA-N 2 0 333.480 1.094 20 0 EDADRP OCCN1CCCC[C@@H]1C[NH2+]C[C@H](O)COc1ccccc1F ZINC000573206474 448568606 /nfs/dbraw/zinc/56/86/06/448568606.db2.gz AYDFNLASTZTIPR-CABCVRRESA-N 2 0 326.412 1.002 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000567102537 448613742 /nfs/dbraw/zinc/61/37/42/448613742.db2.gz OBYPYDMKWDHKSN-CGTJXYLNSA-N 2 0 331.460 1.916 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC[NH2+]CC1 ZINC000566967743 448593889 /nfs/dbraw/zinc/59/38/89/448593889.db2.gz MZJGRJBURSSDBP-CYBMUJFWSA-N 2 0 333.432 1.684 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC1(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)COC1 ZINC000528770016 448667403 /nfs/dbraw/zinc/66/74/03/448667403.db2.gz YMBQZSQZOWUOFC-FAZHARAESA-N 2 0 340.508 1.806 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)n(C2CC[NH+](C)CC2)n1 ZINC000528681991 448628575 /nfs/dbraw/zinc/62/85/75/448628575.db2.gz PRXDGFLKYIWRDZ-OAHLLOKOSA-N 2 0 346.479 1.864 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]1SC ZINC000592168839 448721004 /nfs/dbraw/zinc/72/10/04/448721004.db2.gz MRXQUPRUBQXLHC-INMHGKMJSA-N 2 0 341.521 1.228 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCOC)C2)o1 ZINC000592093345 448677884 /nfs/dbraw/zinc/67/78/84/448677884.db2.gz DAIDNGCAUVKQTG-OAHLLOKOSA-N 2 0 337.464 1.962 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)NCCNc3cc[nH+]cc3)ccc21 ZINC000518972152 448727027 /nfs/dbraw/zinc/72/70/27/448727027.db2.gz ONACYPWEQCAHHZ-UHFFFAOYSA-N 2 0 337.427 1.649 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000545883375 448804148 /nfs/dbraw/zinc/80/41/48/448804148.db2.gz ARSBFWOQOVQVCB-IEBWSBKVSA-N 2 0 346.475 1.189 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529312373 448816759 /nfs/dbraw/zinc/81/67/59/448816759.db2.gz FCAIKACOIHAEBZ-NXHRZFHOSA-N 2 0 346.475 1.185 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000529310651 448817561 /nfs/dbraw/zinc/81/75/61/448817561.db2.gz RHQMXRGUGPYRGJ-ZBFHGGJFSA-N 2 0 336.480 1.071 20 0 EDADRP COc1c2ccccc2oc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000574312337 448842153 /nfs/dbraw/zinc/84/21/53/448842153.db2.gz NYINUXYWYCGIFS-AWEZNQCLSA-N 2 0 333.432 1.139 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000574414880 448871387 /nfs/dbraw/zinc/87/13/87/448871387.db2.gz SJMFEOOBBFQHAU-SJLPKXTDSA-N 2 0 341.459 1.620 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000574548934 448901808 /nfs/dbraw/zinc/90/18/08/448901808.db2.gz YDBOAGOXOBCJTG-RFEVWBHWSA-N 2 0 342.487 1.660 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000579911499 448906531 /nfs/dbraw/zinc/90/65/31/448906531.db2.gz GIOILDVYFGNXOF-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C1CC1 ZINC000579934439 448913611 /nfs/dbraw/zinc/91/36/11/448913611.db2.gz KFKTWLZLIOJUJJ-SJORKVTESA-N 2 0 334.439 1.746 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCc3ccc4c(c3)C[NH2+]C4)c21 ZINC000592543750 448889609 /nfs/dbraw/zinc/88/96/09/448889609.db2.gz GYNATMGLUUCNSV-CYBMUJFWSA-N 2 0 325.416 1.252 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC([C@@H]4CC[NH2+]C4)CC3)c21 ZINC000592552805 448894841 /nfs/dbraw/zinc/89/48/41/448894841.db2.gz ZBBKLHMEXRJOOY-LSDHHAIUSA-N 2 0 331.464 1.181 20 0 EDADRP CS[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@H]1[NH+]1CCCC1 ZINC000547950226 448953086 /nfs/dbraw/zinc/95/30/86/448953086.db2.gz OTZLCIZLJAUIEQ-SJORKVTESA-N 2 0 348.516 1.946 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000589185949 448985719 /nfs/dbraw/zinc/98/57/19/448985719.db2.gz MCRTVPUFCMROLN-UHFFFAOYSA-N 2 0 328.420 1.233 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000569349571 449008783 /nfs/dbraw/zinc/00/87/83/449008783.db2.gz OOMAGJPKDMPPIM-TVXGVJEUSA-N 2 0 329.444 1.539 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[NH+](C4CCCC4)CC3)c21 ZINC000592955756 449076418 /nfs/dbraw/zinc/07/64/18/449076418.db2.gz DVVPYULTRVVGMJ-CQSZACIVSA-N 2 0 331.464 1.420 20 0 EDADRP C[C@]1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)COc2ccccc2O1 ZINC000530214850 449084005 /nfs/dbraw/zinc/08/40/05/449084005.db2.gz YOOWNVZIMADXNZ-NNFUDEMPSA-N 2 0 332.444 1.963 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000582230948 449043764 /nfs/dbraw/zinc/04/37/64/449043764.db2.gz RTOCQEKLHMNNJT-QUCCMNQESA-N 2 0 344.503 1.931 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c21 ZINC000592961899 449084494 /nfs/dbraw/zinc/08/44/94/449084494.db2.gz UUYMJNIFRWDHFR-CQSZACIVSA-N 2 0 340.431 1.077 20 0 EDADRP COCCc1noc(CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000530230591 449087806 /nfs/dbraw/zinc/08/78/06/449087806.db2.gz HXAKITDYHJYAHF-INIZCTEOSA-N 2 0 336.480 1.903 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)o1 ZINC000590116015 449108700 /nfs/dbraw/zinc/10/87/00/449108700.db2.gz RNAFCRSTFBJXAU-HNNXBMFYSA-N 2 0 337.464 1.962 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649175 449586059 /nfs/dbraw/zinc/58/60/59/449586059.db2.gz CEIORCKWRZSEQI-GJZGRUSLSA-N 2 0 325.497 1.770 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614439098 449610760 /nfs/dbraw/zinc/61/07/60/449610760.db2.gz ZKWIAFBIDZABOF-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c[nH]c4ncncc34)C2)CC1 ZINC000602487248 449627799 /nfs/dbraw/zinc/62/77/99/449627799.db2.gz WGYLACPZIQEKRB-MRXNPFEDSA-N 2 0 328.464 1.510 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000601000153 449644357 /nfs/dbraw/zinc/64/43/57/449644357.db2.gz SZTUCUBKPZVPRS-SFHVURJKSA-N 2 0 333.476 1.770 20 0 EDADRP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000602657205 449733795 /nfs/dbraw/zinc/73/37/95/449733795.db2.gz YHAGATRAEICUAI-HSZRJFAPSA-N 2 0 338.517 1.890 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612485685 449734355 /nfs/dbraw/zinc/73/43/55/449734355.db2.gz KCKZLURTBKJFQW-INIZCTEOSA-N 2 0 340.512 1.022 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)C1 ZINC000608225135 449778969 /nfs/dbraw/zinc/77/89/69/449778969.db2.gz VKDPEADTDCQOIY-INIZCTEOSA-N 2 0 346.475 1.203 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000597042975 449781256 /nfs/dbraw/zinc/78/12/56/449781256.db2.gz IIAKMVAHOSBASY-UHFFFAOYSA-N 2 0 337.439 1.728 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)[nH]1 ZINC000602685264 449749013 /nfs/dbraw/zinc/74/90/13/449749013.db2.gz DURRLGXNLQASOA-UHFFFAOYSA-N 2 0 336.480 1.697 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000594954218 449819837 /nfs/dbraw/zinc/81/98/37/449819837.db2.gz RTRPOXKRZFQYAZ-IRXDYDNUSA-N 2 0 338.496 1.127 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC ZINC000602877017 449886292 /nfs/dbraw/zinc/88/62/92/449886292.db2.gz KAZRSUNXLIYEEL-HOCLYGCPSA-N 2 0 339.480 1.108 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000612926547 449943980 /nfs/dbraw/zinc/94/39/80/449943980.db2.gz ZUHNOEISXFWYPL-QXSJWSMHSA-N 2 0 346.500 1.620 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000608709077 449916895 /nfs/dbraw/zinc/91/68/95/449916895.db2.gz KKUVOFSVFIEFMJ-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@@H]4CCCC[C@@H]4NC3=O)C2)CC1 ZINC000595312058 450026177 /nfs/dbraw/zinc/02/61/77/450026177.db2.gz KWNBTMXPGQJTEU-XWTMOSNGSA-N 2 0 334.508 1.146 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000615273789 450037820 /nfs/dbraw/zinc/03/78/20/450037820.db2.gz FUSOMQJKZZHLNC-ROUUACIJSA-N 2 0 335.492 1.573 20 0 EDADRP COC[C@H](C)NC(=O)NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111530 450073418 /nfs/dbraw/zinc/07/34/18/450073418.db2.gz RKCLAXPXOKVDJQ-HNNXBMFYSA-N 2 0 342.484 1.045 20 0 EDADRP COC(=O)CCN1CC[C@H](N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000595388861 450102555 /nfs/dbraw/zinc/10/25/55/450102555.db2.gz XVJINQQRQNTUJF-OIISXLGYSA-N 2 0 349.475 1.099 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000619899839 450367105 /nfs/dbraw/zinc/36/71/05/450367105.db2.gz PRUXXHGSXZWKJZ-IEBWSBKVSA-N 2 0 331.460 1.224 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000616781051 450483594 /nfs/dbraw/zinc/48/35/94/450483594.db2.gz DEKJEZUWPCLMGN-FPCVCCKLSA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623425656 450519993 /nfs/dbraw/zinc/51/99/93/450519993.db2.gz IFTWEZCKBPNJAW-SFHVURJKSA-N 2 0 346.519 1.940 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000625883666 450527486 /nfs/dbraw/zinc/52/74/86/450527486.db2.gz LISCZBHUXHSRGH-HNNXBMFYSA-N 2 0 334.468 1.612 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000621110941 450583321 /nfs/dbraw/zinc/58/33/21/450583321.db2.gz ZCGRTRIJSZPYMQ-MRXNPFEDSA-N 2 0 330.476 1.995 20 0 EDADRP C[C@H](O)[C@H]1CCN(c2cc(N[C@@H](C)C3CC[NH+](C)CC3)ncn2)C1 ZINC000623969827 450655509 /nfs/dbraw/zinc/65/55/09/450655509.db2.gz VWSFYIHDUJGOQH-DZKIICNBSA-N 2 0 333.480 1.826 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000629418169 450663141 /nfs/dbraw/zinc/66/31/41/450663141.db2.gz NAWDTKJGKBDLEJ-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000631658106 450700499 /nfs/dbraw/zinc/70/04/99/450700499.db2.gz DRGIZHUBLXPNQQ-AWEZNQCLSA-N 2 0 345.534 1.756 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000631677853 450709831 /nfs/dbraw/zinc/70/98/31/450709831.db2.gz IKLNFZJZCHDYLE-UHFFFAOYSA-N 2 0 327.494 1.380 20 0 EDADRP Cc1ncc([C@H](C)[NH2+]C2CCN(CCN3CCOCC3)CC2)s1 ZINC000631707078 450723567 /nfs/dbraw/zinc/72/35/67/450723567.db2.gz PRKNPEQNMMOVFR-AWEZNQCLSA-N 2 0 338.521 1.899 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)cn1 ZINC000626415908 450730186 /nfs/dbraw/zinc/73/01/86/450730186.db2.gz AKVPKQQYKSFQEC-QGZVFWFLSA-N 2 0 348.495 1.973 20 0 EDADRP O[C@H](CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)COCc1ccccc1 ZINC000629554646 450733496 /nfs/dbraw/zinc/73/34/96/450733496.db2.gz LTWBBQXDLSNKBA-IYWMVGAKSA-N 2 0 348.487 1.701 20 0 EDADRP CN(c1ccccc1CNCC1([NH3+])CCOCC1)C1CC[NH+](C)CC1 ZINC000629655163 450772174 /nfs/dbraw/zinc/77/21/74/450772174.db2.gz TUFJDDMXSXJFFR-UHFFFAOYSA-N 2 0 346.519 1.815 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000629585048 450750778 /nfs/dbraw/zinc/75/07/78/450750778.db2.gz YSTCPFHYGSHIME-BGYRXZFFSA-N 2 0 341.455 1.994 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266688 450770715 /nfs/dbraw/zinc/77/07/15/450770715.db2.gz SWJFNVXKEFDOGE-NEWSRXKRSA-N 2 0 332.492 1.602 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829107 450801290 /nfs/dbraw/zinc/80/12/90/450801290.db2.gz HATXXZPGBYQTBM-DAYGRLMNSA-N 2 0 345.443 1.992 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635333241 450859247 /nfs/dbraw/zinc/85/92/47/450859247.db2.gz QGOOVPSJGSDTIK-IRXDYDNUSA-N 2 0 339.524 1.829 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000626920332 451004034 /nfs/dbraw/zinc/00/40/34/451004034.db2.gz WSQGTGUJYFLKKZ-QGTPRVQTSA-N 2 0 346.475 1.882 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000626922237 451006308 /nfs/dbraw/zinc/00/63/08/451006308.db2.gz ROFLXBKGVSUIRV-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH2+]C)C1 ZINC000626975231 451044601 /nfs/dbraw/zinc/04/46/01/451044601.db2.gz POPGSLREPYQHQS-MRXNPFEDSA-N 2 0 342.528 1.764 20 0 EDADRP C[NH2+]CCOCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000626925375 451008732 /nfs/dbraw/zinc/00/87/32/451008732.db2.gz MWYMZPBTSJKINB-UHFFFAOYSA-N 2 0 334.464 1.318 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)CCOCC1 ZINC000626927397 451010255 /nfs/dbraw/zinc/01/02/55/451010255.db2.gz NAHYPVWHQNVRQI-UHFFFAOYSA-N 2 0 346.475 1.590 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000626934257 451016254 /nfs/dbraw/zinc/01/62/54/451016254.db2.gz WOIOKZZGNVYCHZ-HZPDHXFCSA-N 2 0 326.485 1.031 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934073 451016956 /nfs/dbraw/zinc/01/69/56/451016956.db2.gz AVNNSNYAJLNTRH-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000626935962 451017477 /nfs/dbraw/zinc/01/74/77/451017477.db2.gz QGJBIRPRRDAJBT-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626936431 451018347 /nfs/dbraw/zinc/01/83/47/451018347.db2.gz VKGZRLQFFIZQNM-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[C@H]1C(F)(F)F ZINC000626938236 451019540 /nfs/dbraw/zinc/01/95/40/451019540.db2.gz OFRHJMOPICYGHZ-AAVRWANBSA-N 2 0 348.413 1.782 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000626941601 451021148 /nfs/dbraw/zinc/02/11/48/451021148.db2.gz CCJDJKWOTULJPW-YOEHRIQHSA-N 2 0 331.464 1.486 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000626942539 451022010 /nfs/dbraw/zinc/02/20/10/451022010.db2.gz MLGLOYWZNDYXLF-SUMWQHHRSA-N 2 0 334.439 1.840 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000626947131 451025215 /nfs/dbraw/zinc/02/52/15/451025215.db2.gz MHQLNDBUOXGVRT-GASCZTMLSA-N 2 0 328.501 1.360 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@@H]1COCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000626991653 451057381 /nfs/dbraw/zinc/05/73/81/451057381.db2.gz JQFHGFHPDQQSDF-DOTOQJQBSA-N 2 0 334.464 1.185 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626997544 451063308 /nfs/dbraw/zinc/06/33/08/451063308.db2.gz AMHFZLLLQCQKGV-RDJZCZTQSA-N 2 0 334.464 1.185 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000626999072 451064860 /nfs/dbraw/zinc/06/48/60/451064860.db2.gz WFGMJIILLDHFNS-RDJZCZTQSA-N 2 0 346.475 1.457 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000627038813 451095160 /nfs/dbraw/zinc/09/51/60/451095160.db2.gz OJGPCJSWWDIDAI-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000627157961 451154057 /nfs/dbraw/zinc/15/40/57/451154057.db2.gz FRBNLMFVAXSTTD-OKZBNKHCSA-N 2 0 346.475 1.193 20 0 EDADRP Cc1cc(NCCNC(=O)N[C@H](C[NH3+])CC(C)C)nc(C(C)C)n1 ZINC000627080452 451114199 /nfs/dbraw/zinc/11/41/99/451114199.db2.gz KTJAGOWWHAZILY-AWEZNQCLSA-N 2 0 336.484 1.993 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627110832 451128001 /nfs/dbraw/zinc/12/80/01/451128001.db2.gz LOVMFRVNYNACCS-KRWDZBQOSA-N 2 0 338.496 1.176 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627127055 451139997 /nfs/dbraw/zinc/13/99/97/451139997.db2.gz ROEKVDNASJMLGT-JKSUJKDBSA-N 2 0 336.480 1.071 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000627173508 451163699 /nfs/dbraw/zinc/16/36/99/451163699.db2.gz ZNFVAKRRJASBGF-HNNXBMFYSA-N 2 0 349.479 1.344 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[NH2+]1 ZINC000627193764 451179244 /nfs/dbraw/zinc/17/92/44/451179244.db2.gz PJRHDFMPZJFQAO-HZPDHXFCSA-N 3 0 327.517 1.042 20 0 EDADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NCCOCCC[NH3+])CC1 ZINC000627215323 451192007 /nfs/dbraw/zinc/19/20/07/451192007.db2.gz IVTBIZMVJBZFIU-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CN(Cc1ccccc1)C1CN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000632332501 451203468 /nfs/dbraw/zinc/20/34/68/451203468.db2.gz PATPCAYOXKCKFC-UHFFFAOYSA-N 2 0 325.478 1.084 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000627237133 451203803 /nfs/dbraw/zinc/20/38/03/451203803.db2.gz FJCPGIDLZJMSJE-MAUKXSAKSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635746754 451215343 /nfs/dbraw/zinc/21/53/43/451215343.db2.gz KFWYOFMGSYFEOX-HNNXBMFYSA-N 2 0 325.497 1.534 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCOC3CCOCC3)CC2)CC1 ZINC000625261630 451244388 /nfs/dbraw/zinc/24/43/88/451244388.db2.gz YIXLEKXLEAOCLT-UHFFFAOYSA-N 2 0 339.524 1.672 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085004 451250115 /nfs/dbraw/zinc/25/01/15/451250115.db2.gz WIEUOJJDAULRCT-SUMDDJOVSA-N 2 0 331.460 1.694 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000638090417 451256120 /nfs/dbraw/zinc/25/61/20/451256120.db2.gz WUWRSQWOQAJSEG-SJLPKXTDSA-N 2 0 349.500 1.941 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638091239 451256464 /nfs/dbraw/zinc/25/64/64/451256464.db2.gz RTAINZODEONSLH-LLVKDONJSA-N 2 0 344.410 1.212 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638092149 451257655 /nfs/dbraw/zinc/25/76/55/451257655.db2.gz DUBWCXINQIVJJQ-MRXNPFEDSA-N 2 0 344.459 1.322 20 0 EDADRP CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000632408510 451264107 /nfs/dbraw/zinc/26/41/07/451264107.db2.gz IYMQQBCOJITCQS-UHFFFAOYSA-N 2 0 339.505 1.853 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)[C@H]1c1cccs1 ZINC000638121744 451291577 /nfs/dbraw/zinc/29/15/77/451291577.db2.gz HCYYOIHSVARDOT-KMFMINBZSA-N 2 0 337.489 1.626 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000638130590 451301644 /nfs/dbraw/zinc/30/16/44/451301644.db2.gz KYAZRJUJBKMCIY-PKOBYXMFSA-N 2 0 345.487 1.755 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1CC[C@H](O)C1 ZINC000636562748 451306000 /nfs/dbraw/zinc/30/60/00/451306000.db2.gz CJLQEYXXOASMFF-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000638136859 451310091 /nfs/dbraw/zinc/31/00/91/451310091.db2.gz NYIRGCIAMVERHS-INIZCTEOSA-N 2 0 332.492 1.438 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000638137380 451310491 /nfs/dbraw/zinc/31/04/91/451310491.db2.gz JOQARTONMOLWGU-WMZOPIPTSA-N 2 0 332.492 1.479 20 0 EDADRP C[C@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137738 451313115 /nfs/dbraw/zinc/31/31/15/451313115.db2.gz MUYUOLTYLWNFRA-BBRMVZONSA-N 2 0 346.450 1.802 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000636578171 451318923 /nfs/dbraw/zinc/31/89/23/451318923.db2.gz DQJJCSFZLNXHTB-YOEHRIQHSA-N 2 0 346.479 1.898 20 0 EDADRP CN(C(C)(C)C[NH+]1CCCC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632470046 451319277 /nfs/dbraw/zinc/31/92/77/451319277.db2.gz UFDDIWOABAVJKB-UHFFFAOYSA-N 2 0 331.526 1.608 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638158067 451328763 /nfs/dbraw/zinc/32/87/63/451328763.db2.gz OLKGZMIIDWAKTQ-DLBZAZTESA-N 2 0 344.503 1.579 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172319 451335460 /nfs/dbraw/zinc/33/54/60/451335460.db2.gz ZCQSDEGVPKFINK-IBGZPJMESA-N 2 0 340.471 1.433 20 0 EDADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCOCC1 ZINC000638184625 451344741 /nfs/dbraw/zinc/34/47/41/451344741.db2.gz ZGEMSGFGURBNSP-BRSBDYLESA-N 2 0 326.481 1.612 20 0 EDADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000638347121 451449292 /nfs/dbraw/zinc/44/92/92/451449292.db2.gz LLPFNWIEBDYLKG-DOTOQJQBSA-N 2 0 345.491 1.370 20 0 EDADRP O=C1C[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCCN1 ZINC000638355439 451457525 /nfs/dbraw/zinc/45/75/25/451457525.db2.gz MBIARIFLJFIROX-LJQANCHMSA-N 2 0 344.503 1.453 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H](C)O[C@H]1C ZINC000630879699 451458925 /nfs/dbraw/zinc/45/89/25/451458925.db2.gz MFOWCCDDCIESQA-MWDXBVQZSA-N 2 0 325.497 1.674 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638360530 451459982 /nfs/dbraw/zinc/45/99/82/451459982.db2.gz TXHAONFBYCSGEI-UHFFFAOYSA-N 2 0 334.464 1.360 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638367732 451465469 /nfs/dbraw/zinc/46/54/69/451465469.db2.gz GRGBRNOFSCAWJD-VXGBXAGGSA-N 2 0 333.436 1.159 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000634690366 451465770 /nfs/dbraw/zinc/46/57/70/451465770.db2.gz JREKWWANJHOCNG-MRXNPFEDSA-N 2 0 344.503 1.928 20 0 EDADRP [NH3+]C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000634690898 451467497 /nfs/dbraw/zinc/46/74/97/451467497.db2.gz WMPDKCJXSHTLKN-OAHLLOKOSA-N 2 0 342.487 1.682 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386584 451479672 /nfs/dbraw/zinc/47/96/72/451479672.db2.gz NPLQHVAPLGKITD-HRCADAONSA-N 2 0 325.497 1.709 20 0 EDADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000638393532 451483494 /nfs/dbraw/zinc/48/34/94/451483494.db2.gz RVYVSDVKHSTSOH-BZUAXINKSA-N 2 0 325.497 1.852 20 0 EDADRP Cc1nocc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000630866696 451448127 /nfs/dbraw/zinc/44/81/27/451448127.db2.gz OTRIMSGGNZPIKC-UHFFFAOYSA-N 2 0 329.404 1.320 20 0 EDADRP C[C@@H](CCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000638410301 451497498 /nfs/dbraw/zinc/49/74/98/451497498.db2.gz YQCJVIIJYHWORO-KRWDZBQOSA-N 2 0 346.519 1.826 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=CC[C@H]([NH3+])C2)cc1F ZINC000638414604 451500960 /nfs/dbraw/zinc/50/09/60/451500960.db2.gz RUDVITNEEJPJOM-DZKIICNBSA-N 2 0 333.407 1.444 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000634724551 451505787 /nfs/dbraw/zinc/50/57/87/451505787.db2.gz SHVIGWZEOSXXOP-IMFGXOCKSA-N 2 0 331.504 1.799 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423166 451506732 /nfs/dbraw/zinc/50/67/32/451506732.db2.gz PXEAKJCHANSLOS-NZSAHSFTSA-N 2 0 346.519 1.812 20 0 EDADRP COc1ncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000638463206 451528329 /nfs/dbraw/zinc/52/83/29/451528329.db2.gz RHGLNMFOZSMBGD-UHFFFAOYSA-N 2 0 347.488 1.849 20 0 EDADRP C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000638550579 451572177 /nfs/dbraw/zinc/57/21/77/451572177.db2.gz SFLCSAIRANNJGY-MQYQWHSLSA-N 2 0 335.414 1.998 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638594098 451595391 /nfs/dbraw/zinc/59/53/91/451595391.db2.gz JDQNVDVZWGIQSV-ZDUSSCGKSA-N 2 0 333.354 1.400 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[N@@H+]1C1CC1 ZINC000636907000 451597285 /nfs/dbraw/zinc/59/72/85/451597285.db2.gz HJBUIHMDFZYLJZ-UONOGXRCSA-N 2 0 346.479 1.897 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638618166 451611248 /nfs/dbraw/zinc/61/12/48/451611248.db2.gz LKERQKJBXXVHGT-DOTOQJQBSA-N 2 0 335.423 1.142 20 0 EDADRP O=C1CC[C@H]([NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000634951919 451620108 /nfs/dbraw/zinc/62/01/08/451620108.db2.gz KKNWUFRIYDDZDV-IBGZPJMESA-N 2 0 344.503 1.453 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[NH2+]1 ZINC000638652849 451633346 /nfs/dbraw/zinc/63/33/46/451633346.db2.gz BBYPRWDNBNHYPD-KYJSFNMBSA-N 2 0 341.459 1.058 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010868 451648231 /nfs/dbraw/zinc/64/82/31/451648231.db2.gz WKZXXSWCVGVGAP-IMJJTQAJSA-N 2 0 336.505 1.477 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(C(=O)c1cc3c(s1)CC[NH2+]C3)CCO2 ZINC000638807516 451697424 /nfs/dbraw/zinc/69/74/24/451697424.db2.gz KVJJQLHRAAOQGD-UHFFFAOYSA-N 2 0 329.425 1.892 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000638811440 451699057 /nfs/dbraw/zinc/69/90/57/451699057.db2.gz VAFRRGZUXGKWQH-HUUCEWRRSA-N 2 0 331.464 1.693 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000638834526 451705451 /nfs/dbraw/zinc/70/54/51/451705451.db2.gz HDAWNXHYHVOCIF-HYJFEMIMSA-N 2 0 327.472 1.870 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638837062 451706329 /nfs/dbraw/zinc/70/63/29/451706329.db2.gz XMDBEVOMUWSAGJ-QRQLOZEOSA-N 2 0 345.487 1.639 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000638858237 451713072 /nfs/dbraw/zinc/71/30/72/451713072.db2.gz ZHIBOGBNEZHWJI-LBKNJMOBSA-N 2 0 345.487 1.638 20 0 EDADRP Cn1ncnc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000638733523 451670305 /nfs/dbraw/zinc/67/03/05/451670305.db2.gz CZLMVODAUNQCRC-UHFFFAOYSA-N 2 0 343.475 1.976 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000641032226 451735796 /nfs/dbraw/zinc/73/57/96/451735796.db2.gz HCPYBFGJLMIXJN-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138550 451738762 /nfs/dbraw/zinc/73/87/62/451738762.db2.gz QLGAKEUYQLRYTD-BQFCYCMXSA-N 2 0 348.491 1.352 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000641044517 451740224 /nfs/dbraw/zinc/74/02/24/451740224.db2.gz XETYRMBYIOODGL-OTWHNJEPSA-N 2 0 342.487 1.902 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000638949081 451741946 /nfs/dbraw/zinc/74/19/46/451741946.db2.gz XDYYTCWOLIOLOM-KBAYOESNSA-N 2 0 330.476 1.927 20 0 EDADRP CCN(CC)C(=O)CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985890 451746813 /nfs/dbraw/zinc/74/68/13/451746813.db2.gz JGQRZNCTNCGKSA-UHFFFAOYSA-N 2 0 333.436 1.078 20 0 EDADRP CCc1nc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cs1 ZINC000638986321 451747048 /nfs/dbraw/zinc/74/70/48/451747048.db2.gz KJUCKFQYPSTIKS-UHFFFAOYSA-N 2 0 331.445 1.691 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000641214289 451783929 /nfs/dbraw/zinc/78/39/29/451783929.db2.gz CAZVWCOCNUQOLP-IEBWSBKVSA-N 2 0 343.475 1.313 20 0 EDADRP C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@H](O)C1CC1 ZINC000639175193 451786391 /nfs/dbraw/zinc/78/63/91/451786391.db2.gz INTIWRYATWNADX-IBGZPJMESA-N 2 0 334.460 1.600 20 0 EDADRP O[C@]1(Cn2cc(C3CC[NH2+]CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641229647 451791368 /nfs/dbraw/zinc/79/13/68/451791368.db2.gz LHQPBZDNJHEYLN-LJQANCHMSA-N 2 0 341.459 1.382 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000642022804 451807383 /nfs/dbraw/zinc/80/73/83/451807383.db2.gz HPBWSPKFXNFXFN-USLRCESLSA-N 2 0 332.492 1.533 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000639310580 451820291 /nfs/dbraw/zinc/82/02/91/451820291.db2.gz XWZUDIFUXROJFN-PMACEKPBSA-N 2 0 348.487 1.784 20 0 EDADRP C[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000639313537 451822142 /nfs/dbraw/zinc/82/21/42/451822142.db2.gz XHPFQHNCQOQQGU-HRCADAONSA-N 2 0 327.513 1.309 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)nc2)CC1 ZINC000653346152 451857694 /nfs/dbraw/zinc/85/76/94/451857694.db2.gz KROJEMJBDPZFFR-HZPDHXFCSA-N 2 0 329.448 1.303 20 0 EDADRP O=S1(=O)CCC(O)(C[NH2+]CCCCC[NH+]2CCCCC2)CC1 ZINC000644559297 451859907 /nfs/dbraw/zinc/85/99/07/451859907.db2.gz DBMKIAXUEDZTKQ-UHFFFAOYSA-N 2 0 332.510 1.172 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000642440142 451879662 /nfs/dbraw/zinc/87/96/62/451879662.db2.gz XCSJBHOFWIWIOK-WMLDXEAASA-N 2 0 346.475 1.313 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645416 451906790 /nfs/dbraw/zinc/90/67/90/451906790.db2.gz JZZROJODAJJALO-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP CC(=O)N1CC[C@@H](C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639546091 451936255 /nfs/dbraw/zinc/93/62/55/451936255.db2.gz BSZSQKHVIBXWAP-PMACEKPBSA-N 2 0 345.487 1.424 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000639554693 451943263 /nfs/dbraw/zinc/94/32/63/451943263.db2.gz LUEZQPYKXHKFCZ-QGZVFWFLSA-N 2 0 335.496 1.836 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[NH+]2CCCC2)cc1 ZINC000649277199 451947114 /nfs/dbraw/zinc/94/71/14/451947114.db2.gz LWZFDONQKUAZTG-FUHWJXTLSA-N 2 0 347.459 1.184 20 0 EDADRP O=C(c1cn([C@H]2CC[NH2+]C2)nn1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000649285987 451960027 /nfs/dbraw/zinc/96/00/27/451960027.db2.gz HHCYZYNKCHQDGH-INIZCTEOSA-N 2 0 346.479 1.151 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649288284 451962339 /nfs/dbraw/zinc/96/23/39/451962339.db2.gz ICYCIYOEOWREMQ-DNVCBOLYSA-N 2 0 330.476 1.890 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649294775 451970979 /nfs/dbraw/zinc/97/09/79/451970979.db2.gz BAFXLTWBDJXBFX-CABCVRRESA-N 2 0 334.468 1.197 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639611580 451974770 /nfs/dbraw/zinc/97/47/70/451974770.db2.gz BNOHQWRYXLAOFF-INIZCTEOSA-N 2 0 339.480 1.450 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649303002 451979187 /nfs/dbraw/zinc/97/91/87/451979187.db2.gz NIPNFHBVSSWCMC-GJZGRUSLSA-N 2 0 325.403 1.520 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990449 451991320 /nfs/dbraw/zinc/99/13/20/451991320.db2.gz HTKGBGGEQUMRGW-FRQCXROJSA-N 2 0 329.444 1.439 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649313017 451991817 /nfs/dbraw/zinc/99/18/17/451991817.db2.gz YAZKNYKSOQNTOW-MRXNPFEDSA-N 2 0 349.500 1.718 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCC[NH2+]1 ZINC000649312973 451992027 /nfs/dbraw/zinc/99/20/27/451992027.db2.gz RKVBUCOHSSIHIC-SFHVURJKSA-N 2 0 349.500 1.943 20 0 EDADRP COC[C@@]1(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000649321747 451999943 /nfs/dbraw/zinc/99/99/43/451999943.db2.gz ORJILUPTNIGDCJ-LJQANCHMSA-N 2 0 349.475 1.054 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c([C@H]2CCC[NH2+]C2)n1 ZINC000649326544 452006410 /nfs/dbraw/zinc/00/64/10/452006410.db2.gz BJHXVSSOXRVBAD-USXIJHARSA-N 2 0 345.491 1.586 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668255 452009995 /nfs/dbraw/zinc/00/99/95/452009995.db2.gz YSNJIRXQEZMIDK-PBHICJAKSA-N 2 0 348.495 1.954 20 0 EDADRP Cn1ncc2c1CCCN(C[C@]1(O)CC[N@H+](Cc3ccccc3)C1)C2 ZINC000639672745 452013495 /nfs/dbraw/zinc/01/34/95/452013495.db2.gz IDALFZFJUMWEHT-HXUWFJFHSA-N 2 0 340.471 1.805 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCOCC1)c1ccccc1 ZINC000649335092 452015915 /nfs/dbraw/zinc/01/59/15/452015915.db2.gz DTYIDNJCRIWAFR-DDBAPUKQSA-N 2 0 343.471 1.753 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649345137 452027362 /nfs/dbraw/zinc/02/73/62/452027362.db2.gz MNMMWGFEPGKACJ-MOPGFXCFSA-N 2 0 345.487 1.593 20 0 EDADRP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000649359393 452039968 /nfs/dbraw/zinc/03/99/68/452039968.db2.gz WMMAZDRECFPSEX-SJORKVTESA-N 2 0 345.491 1.180 20 0 EDADRP C[C@@H](CO)C1CC[NH+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000639733983 452078268 /nfs/dbraw/zinc/07/82/68/452078268.db2.gz WQIKJFGSWQFEMI-PXNSSMCTSA-N 2 0 332.488 1.964 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418265 452080080 /nfs/dbraw/zinc/08/00/80/452080080.db2.gz RFNBRNUZZUCHIE-BBWFWOEESA-N 2 0 345.491 1.627 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637801096 452090309 /nfs/dbraw/zinc/09/03/09/452090309.db2.gz IBXVWDSMFUXGIP-AOIWGVFYSA-N 2 0 329.444 1.085 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3CCC[NH2+]C3)ccc2[nH]c1=O ZINC000637813613 452096757 /nfs/dbraw/zinc/09/67/57/452096757.db2.gz CWAPTWMCKYKTQC-ZDUSSCGKSA-N 2 0 345.447 1.033 20 0 EDADRP NC(=O)CC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000643294446 452120127 /nfs/dbraw/zinc/12/01/27/452120127.db2.gz AGYZRGHWAYQJPU-UHFFFAOYSA-N 2 0 331.460 1.906 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3nnc(N)o3)C2)CC1 ZINC000639822421 452157630 /nfs/dbraw/zinc/15/76/30/452157630.db2.gz OTCIROJIEXLBKH-OAHLLOKOSA-N 2 0 336.484 1.247 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221289 452216900 /nfs/dbraw/zinc/21/69/00/452216900.db2.gz LQWMHIGEPZNAKU-GPMSIDNRSA-N 2 0 344.459 1.263 20 0 EDADRP c1ccc2c(N[C@@H]3CCC[N@@H+](CCN4CCOCC4)C3)cc[nH+]c2c1 ZINC000641719421 452218222 /nfs/dbraw/zinc/21/82/22/452218222.db2.gz QWDNURWIOWUFBR-QGZVFWFLSA-N 2 0 340.471 1.865 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659426703 452269701 /nfs/dbraw/zinc/26/97/01/452269701.db2.gz AZHJJBDXMYQWNR-UUCFBXCCSA-N 2 0 334.489 1.936 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[NH+]1CCOCC1 ZINC000659431221 452277233 /nfs/dbraw/zinc/27/72/33/452277233.db2.gz JOCYKEMDQQWURK-HQVVEAJESA-N 2 0 338.496 1.175 20 0 EDADRP c1ccc(CN2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647549580 452277813 /nfs/dbraw/zinc/27/78/13/452277813.db2.gz IPGCJGOWPQTJCB-YSIASYRMSA-N 2 0 329.488 1.997 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659433630 452279424 /nfs/dbraw/zinc/27/94/24/452279424.db2.gz AFJJWBOUMODIRV-KLHDSHLOSA-N 2 0 328.476 1.825 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C(C)(C)CC)CC2)C1(C)C ZINC000655494618 452294360 /nfs/dbraw/zinc/29/43/60/452294360.db2.gz LPJVWRQCOZQUJW-RDTXWAMCSA-N 2 0 325.497 1.852 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCO)CC1 ZINC000661495492 452297112 /nfs/dbraw/zinc/29/71/12/452297112.db2.gz VRKZINRDNMWPAU-NVXWUHKLSA-N 2 0 325.497 1.458 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000659449324 452297517 /nfs/dbraw/zinc/29/75/17/452297517.db2.gz COLNZLZESDFTJU-KRWDZBQOSA-N 2 0 347.507 1.354 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc21 ZINC000655505203 452301435 /nfs/dbraw/zinc/30/14/35/452301435.db2.gz SCMNQVLSIAEZEC-ZDUSSCGKSA-N 2 0 328.338 1.610 20 0 EDADRP C[C@@H](CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000663585175 452310286 /nfs/dbraw/zinc/31/02/86/452310286.db2.gz ZUGUVCVCBGXJKM-HNNXBMFYSA-N 2 0 336.480 1.766 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC1([NH+](C)C)CCCC1 ZINC000638050372 452318985 /nfs/dbraw/zinc/31/89/85/452318985.db2.gz VHUXTAXVWMBAID-DOTOQJQBSA-N 2 0 333.476 1.910 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+]1CCCC1 ZINC000638050252 452319046 /nfs/dbraw/zinc/31/90/46/452319046.db2.gz MSMZIZMFXFCATH-QFBILLFUSA-N 2 0 347.459 1.327 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638051635 452322825 /nfs/dbraw/zinc/32/28/25/452322825.db2.gz NAPGMYUTSVSDLK-GOSISDBHSA-N 2 0 332.492 1.246 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)c2cnc(C[NH3+])nc2)[NH+](C)C)cc1 ZINC000638050834 452322872 /nfs/dbraw/zinc/32/28/72/452322872.db2.gz RXLXXTQKRAMZBW-MRXNPFEDSA-N 2 0 327.432 1.530 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC/C=C/C[NH3+] ZINC000641865086 452331827 /nfs/dbraw/zinc/33/18/27/452331827.db2.gz OYEZRTQZKOSOAE-REMYHPOOSA-N 2 0 331.464 1.592 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000659481448 452340621 /nfs/dbraw/zinc/34/06/21/452340621.db2.gz YXJPOXGVHAOHHZ-ZWKOTPCHSA-N 2 0 348.491 1.426 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652151090 452344261 /nfs/dbraw/zinc/34/42/61/452344261.db2.gz IQAZLRIJLJBQJR-BBWFWOEESA-N 2 0 340.512 1.646 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638062024 452353802 /nfs/dbraw/zinc/35/38/02/452353802.db2.gz CEPCENYQYUIBDZ-OWCLPIDISA-N 2 0 333.476 1.910 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000638062027 452354692 /nfs/dbraw/zinc/35/46/92/452354692.db2.gz CEPCENYQYUIBDZ-XHSDSOJGSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+]1CCN(CCNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000665770751 452356200 /nfs/dbraw/zinc/35/62/00/452356200.db2.gz JJQKVQCENOWZBQ-IBGZPJMESA-N 2 0 344.503 1.230 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652163300 452357891 /nfs/dbraw/zinc/35/78/91/452357891.db2.gz HZADVMVYWAHLNF-UHFFFAOYSA-N 2 0 326.485 1.304 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CCCC[NH2+]1 ZINC000638062708 452358069 /nfs/dbraw/zinc/35/80/69/452358069.db2.gz PSJDAIXDWTUNGH-GOSISDBHSA-N 2 0 335.448 1.724 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000638062343 452358931 /nfs/dbraw/zinc/35/89/31/452358931.db2.gz FMRNZISYWQCNTA-FUHWJXTLSA-N 2 0 335.448 1.010 20 0 EDADRP COC[C@@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCCC[NH2+]1 ZINC000638063377 452361078 /nfs/dbraw/zinc/36/10/78/452361078.db2.gz MFMACVYHPFZWJF-LJQANCHMSA-N 2 0 349.475 1.402 20 0 EDADRP C[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[NH2+]CCO1 ZINC000638064762 452364682 /nfs/dbraw/zinc/36/46/82/452364682.db2.gz WKEQGWROUBJVGW-SFHVURJKSA-N 2 0 335.423 1.285 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000652182753 452377330 /nfs/dbraw/zinc/37/73/30/452377330.db2.gz AXDUHAGFRSKAFH-MRXNPFEDSA-N 2 0 348.491 1.706 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000638072103 452380996 /nfs/dbraw/zinc/38/09/96/452380996.db2.gz QCTFGDBFTPYJJN-HOCLYGCPSA-N 2 0 341.521 1.231 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c2ccccc2)CC1 ZINC000638077323 452389474 /nfs/dbraw/zinc/38/94/74/452389474.db2.gz RGSHFJCKEJZVBE-RCCFBDPRSA-N 2 0 331.460 1.692 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575858 452430590 /nfs/dbraw/zinc/43/05/90/452430590.db2.gz CLOYPYKDDZVOGI-VDHUWJSZSA-N 2 0 330.476 1.901 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659582995 452438029 /nfs/dbraw/zinc/43/80/29/452438029.db2.gz XXHBAPTVDJCGMJ-FSDCSDTHSA-N 2 0 332.423 1.132 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1)c1ccccc1 ZINC000647707872 452440214 /nfs/dbraw/zinc/44/02/14/452440214.db2.gz FTCHUOYZRXCZIA-OTWHNJEPSA-N 2 0 345.487 1.737 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000659589205 452444987 /nfs/dbraw/zinc/44/49/87/452444987.db2.gz MHMBUZDSQBPBCJ-WRFANHODSA-N 2 0 334.439 1.663 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274874 452462327 /nfs/dbraw/zinc/46/23/27/452462327.db2.gz XTACEMKPDXFKBF-NVXWUHKLSA-N 2 0 334.439 1.910 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659616344 452473241 /nfs/dbraw/zinc/47/32/41/452473241.db2.gz GJUHXQNWIARFBH-UHFFFAOYSA-N 2 0 330.476 1.820 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCCOC2)[C@@H](C)C1 ZINC000652324549 452498589 /nfs/dbraw/zinc/49/85/89/452498589.db2.gz DWIKJHKMOACFPT-BZSNNMDCSA-N 2 0 328.497 1.645 20 0 EDADRP Cc1ccn2cc(CNC(=O)NCCN(C)CCC[NH+](C)C)nc2c1 ZINC000663772212 452501077 /nfs/dbraw/zinc/50/10/77/452501077.db2.gz XMLDNJLLNFPAIQ-UHFFFAOYSA-N 2 0 346.479 1.325 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000654449513 452512317 /nfs/dbraw/zinc/51/23/17/452512317.db2.gz HSLPVVLDJAHGDR-INMHGKMJSA-N 2 0 338.496 1.127 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345517 452519132 /nfs/dbraw/zinc/51/91/32/452519132.db2.gz DEWNSJRXWDERDJ-BFYDXBDKSA-N 2 0 342.443 1.413 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346761 452523259 /nfs/dbraw/zinc/52/32/59/452523259.db2.gz HEJYZDSGBKSBCC-MWDXBVQZSA-N 2 0 341.496 1.136 20 0 EDADRP C[C@H](C[NH2+]C1CCN(C[C@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000655708767 452525922 /nfs/dbraw/zinc/52/59/22/452525922.db2.gz OHABYRPDVJLQIS-IEBWSBKVSA-N 2 0 338.540 1.103 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654471862 452538105 /nfs/dbraw/zinc/53/81/05/452538105.db2.gz JNGIXWAKRDXEHN-WOVMCDHWSA-N 2 0 340.512 1.515 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000645567051 452540809 /nfs/dbraw/zinc/54/08/09/452540809.db2.gz KIRBFPWZMKBLQK-UHFFFAOYSA-N 2 0 349.475 1.530 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815102 452547038 /nfs/dbraw/zinc/54/70/38/452547038.db2.gz PCGHIHOTOQXZAM-LJQANCHMSA-N 2 0 344.503 1.622 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)c1 ZINC000659681465 452554136 /nfs/dbraw/zinc/55/41/36/452554136.db2.gz WMHQPRVLJLVESG-QGZVFWFLSA-N 2 0 348.491 1.244 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCn4nccc43)cn2)CC1 ZINC000657831963 452557124 /nfs/dbraw/zinc/55/71/24/452557124.db2.gz HCZPNPPJXYMHLR-MRXNPFEDSA-N 2 0 326.448 1.655 20 0 EDADRP Cc1cc(C)cc(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000647824829 452559058 /nfs/dbraw/zinc/55/90/58/452559058.db2.gz VTGIBMBAJMQFDF-SFHVURJKSA-N 2 0 345.487 1.826 20 0 EDADRP [NH3+]CC1(CC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000645597521 452580110 /nfs/dbraw/zinc/58/01/10/452580110.db2.gz HUFACNAZHRNAAF-UHFFFAOYSA-N 2 0 344.503 1.834 20 0 EDADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654506154 452581739 /nfs/dbraw/zinc/58/17/39/452581739.db2.gz PCXQGPAHOLRCKE-ZACQAIPSSA-N 2 0 343.475 1.976 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2COC3(CCC3)C2)cc1 ZINC000657918221 452611019 /nfs/dbraw/zinc/61/10/19/452611019.db2.gz BGHBHLCDLCMCRZ-KRWDZBQOSA-N 2 0 331.460 1.779 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccccc1CO ZINC000663891230 452614861 /nfs/dbraw/zinc/61/48/61/452614861.db2.gz WMMFRCOQASKMEI-HNNXBMFYSA-N 2 0 336.480 1.250 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2ccn(CC[NH+](C)C)n2)([NH+](C)C)C1 ZINC000654573824 452658512 /nfs/dbraw/zinc/65/85/12/452658512.db2.gz PIFLDGJRULTLPF-CRAIPNDOSA-N 2 0 335.496 1.685 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCn3nccc32)(N2CCOCC2)CC1 ZINC000658035677 452696171 /nfs/dbraw/zinc/69/61/71/452696171.db2.gz UGPXVUAIUHKHTR-INIZCTEOSA-N 2 0 333.480 1.104 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000658084553 452719795 /nfs/dbraw/zinc/71/97/95/452719795.db2.gz ASYUCQMUVVEKQA-INIZCTEOSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000652522733 452722825 /nfs/dbraw/zinc/72/28/25/452722825.db2.gz UYOWAMHVTOIHSV-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978576 452723152 /nfs/dbraw/zinc/72/31/52/452723152.db2.gz VAFNHXDAYVSJHV-DLBZAZTESA-N 2 0 325.497 1.631 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000661973297 452727634 /nfs/dbraw/zinc/72/76/34/452727634.db2.gz QBQRBUSOGLXLHP-KRWDZBQOSA-N 2 0 340.512 1.658 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000661976001 452729927 /nfs/dbraw/zinc/72/99/27/452729927.db2.gz QOBYYELFZQGXTM-BRWVUGGUSA-N 2 0 336.480 1.166 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655959579 452742160 /nfs/dbraw/zinc/74/21/60/452742160.db2.gz UUFRTINCQNIFEY-SJORKVTESA-N 2 0 344.459 1.478 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664078213 452772978 /nfs/dbraw/zinc/77/29/78/452772978.db2.gz YEEQDXQHTVXDTN-INIZCTEOSA-N 2 0 327.517 1.044 20 0 EDADRP O=C(C[N@@H+]1CCC2(COC2)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000662075643 452820265 /nfs/dbraw/zinc/82/02/65/452820265.db2.gz HNAOQMPFTFQLNY-UHFFFAOYSA-N 2 0 343.471 1.621 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000652694143 452842276 /nfs/dbraw/zinc/84/22/76/452842276.db2.gz PKAYSMQDZKQFEO-UHFFFAOYSA-N 2 0 348.491 1.257 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000650582715 452852702 /nfs/dbraw/zinc/85/27/02/452852702.db2.gz DIDYLHYRSXCDPL-QGZVFWFLSA-N 2 0 342.528 1.620 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000662142856 452879302 /nfs/dbraw/zinc/87/93/02/452879302.db2.gz OWKYEZMFTOHJMN-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000645903482 452889608 /nfs/dbraw/zinc/88/96/08/452889608.db2.gz GCPBOXKBRVGVLW-AEFFLSMTSA-N 2 0 330.476 1.091 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)C[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000645959232 452938851 /nfs/dbraw/zinc/93/88/51/452938851.db2.gz VIJFQMGYVXIYQD-ZWKOTPCHSA-N 2 0 333.476 1.156 20 0 EDADRP CN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000650720268 452950557 /nfs/dbraw/zinc/95/05/57/452950557.db2.gz KDPVPSIERFPWIW-RBUKOAKNSA-N 2 0 344.503 1.042 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)c2cc1OC ZINC000656218696 452968203 /nfs/dbraw/zinc/96/82/03/452968203.db2.gz GGGYVVGYVXSMOT-QWHCGFSZSA-N 2 0 329.400 1.507 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000652813722 452972652 /nfs/dbraw/zinc/97/26/52/452972652.db2.gz KBMASEZRIVDDJA-CEXWTWQISA-N 2 0 345.487 1.829 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccc(F)cc1 ZINC000662249153 452972747 /nfs/dbraw/zinc/97/27/47/452972747.db2.gz QWYQUTFPGYDSMG-QGZVFWFLSA-N 2 0 347.434 1.541 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256928 452986370 /nfs/dbraw/zinc/98/63/70/452986370.db2.gz KCNVIXYWJZTUDI-WMZOPIPTSA-N 2 0 343.471 1.649 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)[NH+](C)C)cc1 ZINC000650779480 452990360 /nfs/dbraw/zinc/99/03/60/452990360.db2.gz DVURVWLNQDAQJB-QZTJIDSGSA-N 2 0 346.475 1.058 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000646002750 452999355 /nfs/dbraw/zinc/99/93/55/452999355.db2.gz BPPCCBFCKSNWER-MOPGFXCFSA-N 2 0 344.503 1.705 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279345 453004420 /nfs/dbraw/zinc/00/44/20/453004420.db2.gz RXNCFFLQFVXVTD-GOSISDBHSA-N 3 0 339.524 1.578 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000662281762 453007215 /nfs/dbraw/zinc/00/72/15/453007215.db2.gz LRYRVRFMTYHEAO-QGZVFWFLSA-N 3 0 326.448 1.220 20 0 EDADRP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284997 453009166 /nfs/dbraw/zinc/00/91/66/453009166.db2.gz TVPITGDEIFWLMG-LBPRGKRZSA-N 2 0 326.343 1.961 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000662287416 453011161 /nfs/dbraw/zinc/01/11/61/453011161.db2.gz ZOEBEHORWUEGMD-XJKSGUPXSA-N 2 0 325.478 1.544 20 0 EDADRP [NH3+]CC12CC(C1)CN2CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000662305107 453026144 /nfs/dbraw/zinc/02/61/44/453026144.db2.gz ZGWBDKPPEMJFNY-UHFFFAOYSA-N 2 0 346.450 1.288 20 0 EDADRP [NH3+]C[C@@H]1CCc2ccccc2N1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662305801 453026879 /nfs/dbraw/zinc/02/68/79/453026879.db2.gz VVIJOAQARYCNOY-BJLQDIEVSA-N 2 0 325.456 1.697 20 0 EDADRP C[C@@H](NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000664372577 453043501 /nfs/dbraw/zinc/04/35/01/453043501.db2.gz ZKMCJACUPBKDKE-ZBFHGGJFSA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC[C@@H](C)[NH3+])CC1 ZINC000666672419 453057282 /nfs/dbraw/zinc/05/72/82/453057282.db2.gz OUVHHUAWXMNWJG-GFCCVEGCSA-N 2 0 339.871 1.951 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686186 453063945 /nfs/dbraw/zinc/06/39/45/453063945.db2.gz GCJGMQDOOWOLDT-HUUCEWRRSA-N 2 0 345.443 1.561 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000650873268 453073730 /nfs/dbraw/zinc/07/37/30/453073730.db2.gz SFSIOLMKVFATNM-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699067 453077589 /nfs/dbraw/zinc/07/75/89/453077589.db2.gz IWOQOVXHXRJPLM-JKSUJKDBSA-N 2 0 348.466 1.534 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3cccc(F)c3)C2)C1 ZINC000666701989 453079135 /nfs/dbraw/zinc/07/91/35/453079135.db2.gz WJIXYOYPVZYRGG-PBHICJAKSA-N 2 0 335.423 1.476 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666702042 453079316 /nfs/dbraw/zinc/07/93/16/453079316.db2.gz PPZXUQMOILALGH-KFWWJZLASA-N 2 0 346.475 1.566 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)c1ccsc1 ZINC000662379450 453088194 /nfs/dbraw/zinc/08/81/94/453088194.db2.gz ZCHYIERUDHADTC-CQSZACIVSA-N 2 0 348.476 1.297 20 0 EDADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000648446127 453091061 /nfs/dbraw/zinc/09/10/61/453091061.db2.gz AOKJSKFRBVRKEL-ROUUACIJSA-N 2 0 347.507 1.926 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662401815 453113067 /nfs/dbraw/zinc/11/30/67/453113067.db2.gz BNVMSPMCFZFRGI-KGLIPLIRSA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccc(O)cc21 ZINC000666746703 453113399 /nfs/dbraw/zinc/11/33/99/453113399.db2.gz ASVMPUILNRUABZ-KRWDZBQOSA-N 2 0 334.464 1.514 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662412549 453122368 /nfs/dbraw/zinc/12/23/68/453122368.db2.gz NTYOOMVBMZVLTG-QGZVFWFLSA-N 2 0 330.476 1.042 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000664473734 453125690 /nfs/dbraw/zinc/12/56/90/453125690.db2.gz AJIBABUVXZGXGS-PVAVHDDUSA-N 2 0 340.512 1.394 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662450177 453158094 /nfs/dbraw/zinc/15/80/94/453158094.db2.gz JFAOHORSQQMAJN-QGZVFWFLSA-N 2 0 342.487 1.532 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662474246 453185339 /nfs/dbraw/zinc/18/53/39/453185339.db2.gz VXKAXKNXEQTABC-LJQANCHMSA-N 3 0 346.519 1.953 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662474244 453185398 /nfs/dbraw/zinc/18/53/98/453185398.db2.gz VXKAXKNXEQTABC-IBGZPJMESA-N 3 0 346.519 1.953 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662478274 453190426 /nfs/dbraw/zinc/19/04/26/453190426.db2.gz PBFFCWXMQGMENZ-CABCVRRESA-N 2 0 331.464 1.435 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@@H]21 ZINC000662502072 453217747 /nfs/dbraw/zinc/21/77/47/453217747.db2.gz HNQBXEDNMNJQNG-ZBFHGGJFSA-N 2 0 332.448 1.698 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505499 453221840 /nfs/dbraw/zinc/22/18/40/453221840.db2.gz MSEVAKWQSXVPBV-CPUCHLNUSA-N 2 0 343.475 1.576 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC[C@@H]21 ZINC000666906765 453230216 /nfs/dbraw/zinc/23/02/16/453230216.db2.gz AIDFETAVAQQKQX-HOCLYGCPSA-N 2 0 330.432 1.027 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653108952 453293436 /nfs/dbraw/zinc/29/34/36/453293436.db2.gz NHMJZYIPFZHGBS-QFBILLFUSA-N 2 0 346.519 1.814 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112856 453300302 /nfs/dbraw/zinc/30/03/02/453300302.db2.gz LEGGVYNAKNUQKL-ROUUACIJSA-N 2 0 332.492 1.294 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCCC2)cc1 ZINC000653113624 453301860 /nfs/dbraw/zinc/30/18/60/453301860.db2.gz JFPCSUZPNIMPHH-BJLQDIEVSA-N 2 0 343.471 1.484 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000653120200 453310023 /nfs/dbraw/zinc/31/00/23/453310023.db2.gz JRJPNEPNJKYREP-OAHLLOKOSA-N 2 0 342.553 1.133 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653122823 453314933 /nfs/dbraw/zinc/31/49/33/453314933.db2.gz FLODUXUIECZXOW-OALUTQOASA-N 2 0 346.519 1.636 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653125085 453319271 /nfs/dbraw/zinc/31/92/71/453319271.db2.gz SDSHBRZAHMXIOG-RTBURBONSA-N 2 0 342.487 1.903 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593687 453320879 /nfs/dbraw/zinc/32/08/79/453320879.db2.gz QAPVQYDXQIKJBX-NXEZDXNNSA-N 2 0 337.508 1.756 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653149797 453335405 /nfs/dbraw/zinc/33/54/05/453335405.db2.gz FZACZCFVEDFJMN-MSOLQXFVSA-N 2 0 328.460 1.693 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000651195234 453345770 /nfs/dbraw/zinc/34/57/70/453345770.db2.gz GBIFLGNJCLTVSA-HZPDHXFCSA-N 2 0 328.501 1.061 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000664726181 453354697 /nfs/dbraw/zinc/35/46/97/453354697.db2.gz YOVLNCMTHCGSFW-UHFFFAOYSA-N 2 0 347.459 1.222 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000655247103 453370539 /nfs/dbraw/zinc/37/05/39/453370539.db2.gz SIKWSUXEHATGCC-ZIFCJYIRSA-N 2 0 331.460 1.080 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662672827 453388586 /nfs/dbraw/zinc/38/85/86/453388586.db2.gz FZNOGRNXLDUEFL-MRXNPFEDSA-N 2 0 348.495 1.538 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[NH+](C2CCCC2)CC1 ZINC000662672483 453388841 /nfs/dbraw/zinc/38/88/41/453388841.db2.gz BSCCQODKLOKLGV-INIZCTEOSA-N 2 0 346.479 1.293 20 0 EDADRP CC[N@H+](CCCNC(=O)C1(OC)CC[NH2+]CC1)C1CCCCC1 ZINC000653201020 453392690 /nfs/dbraw/zinc/39/26/90/453392690.db2.gz XDXSBVGQZIPXCM-UHFFFAOYSA-N 2 0 325.497 1.916 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000662687126 453408441 /nfs/dbraw/zinc/40/84/41/453408441.db2.gz UBCQKTQVRUCPHF-CXAGYDPISA-N 2 0 341.415 1.400 20 0 EDADRP COc1cc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccc1OCC[NH+](C)C ZINC000648932459 453409957 /nfs/dbraw/zinc/40/99/57/453409957.db2.gz VPXOCQGOVWPRLV-UKRRQHHQSA-N 2 0 335.448 1.914 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711933 453436449 /nfs/dbraw/zinc/43/64/49/453436449.db2.gz CVOGVBXFWGPDHU-ZWKOTPCHSA-N 2 0 345.487 1.769 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000653260014 453441657 /nfs/dbraw/zinc/44/16/57/453441657.db2.gz BHFVMAMTWRQBQU-KURKYZTESA-N 2 0 329.444 1.791 20 0 EDADRP [NH3+]C1(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000662730447 453456542 /nfs/dbraw/zinc/45/65/42/453456542.db2.gz FPASUSMTQLQHDM-UHFFFAOYSA-N 2 0 330.432 1.332 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664921541 453484587 /nfs/dbraw/zinc/48/45/87/453484587.db2.gz ZKXBNFXXOOBLSJ-NVXWUHKLSA-N 2 0 340.512 1.347 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662760600 453498400 /nfs/dbraw/zinc/49/84/00/453498400.db2.gz XXZOBABYCMAYJL-QGZVFWFLSA-N 2 0 342.487 1.184 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3cc(C4CC[NH2+]CC4)no3)cc2C1 ZINC000662765234 453502778 /nfs/dbraw/zinc/50/27/78/453502778.db2.gz WZENZOQSARWCDX-ZDUSSCGKSA-N 2 0 341.415 1.605 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662779621 453514949 /nfs/dbraw/zinc/51/49/49/453514949.db2.gz LATVMVFTTDIMED-HZPDHXFCSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662784543 453517686 /nfs/dbraw/zinc/51/76/86/453517686.db2.gz LAXJJKWMSQCJQC-HRCADAONSA-N 2 0 346.479 1.054 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703646 453528581 /nfs/dbraw/zinc/52/85/81/453528581.db2.gz FTQKZAMYWDYELU-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000662795259 453530353 /nfs/dbraw/zinc/53/03/53/453530353.db2.gz VOKGUJNESSDSQP-UHFFFAOYSA-N 2 0 343.431 1.910 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446117 453533823 /nfs/dbraw/zinc/53/38/23/453533823.db2.gz CUUGORUDENVMHI-AJYBTWMASA-N 2 0 348.535 1.393 20 0 EDADRP C[C@H](CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000655446156 453534217 /nfs/dbraw/zinc/53/42/17/453534217.db2.gz FGDNNIKBVASROL-ZTNFWEORSA-N 2 0 327.472 1.939 20 0 EDADRP Cc1cc(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)on1 ZINC000662817799 453548702 /nfs/dbraw/zinc/54/87/02/453548702.db2.gz WOZPDTGZMWWZOE-UHFFFAOYSA-N 2 0 342.443 1.635 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000667326870 453558729 /nfs/dbraw/zinc/55/87/29/453558729.db2.gz DHUURXYGFAVGSW-QZTJIDSGSA-N 2 0 330.476 1.854 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(C2CC[NH2+]CC2)no1 ZINC000662834426 453561489 /nfs/dbraw/zinc/56/14/89/453561489.db2.gz HGYKSKVPMBAAJD-ZBFHGGJFSA-N 2 0 332.448 1.888 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662846724 453567902 /nfs/dbraw/zinc/56/79/02/453567902.db2.gz UFTQDZBFAMOKSF-HUUCEWRRSA-N 2 0 348.495 1.443 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC34CC(C3)C[NH2+]4)c2)CC1 ZINC000659009633 453579151 /nfs/dbraw/zinc/57/91/51/453579151.db2.gz OPUPEDXXWVYDCH-UHFFFAOYSA-N 2 0 343.475 1.702 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[NH2+]CC2CC2)cc1F ZINC000662870106 453581622 /nfs/dbraw/zinc/58/16/22/453581622.db2.gz YBZQGZYMAXBVBY-HOCLYGCPSA-N 2 0 335.423 1.396 20 0 EDADRP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900212 453593992 /nfs/dbraw/zinc/59/39/92/453593992.db2.gz KJYKPHOIJUFGAA-YQVWRLOYSA-N 2 0 334.508 1.003 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000662940541 453615567 /nfs/dbraw/zinc/61/55/67/453615567.db2.gz WCDSIJJHDGWWHF-UHFFFAOYSA-N 2 0 340.512 1.154 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000660937775 453654859 /nfs/dbraw/zinc/65/48/59/453654859.db2.gz HWVLPXCZLMEPGX-HNNXBMFYSA-N 2 0 345.491 1.810 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000665551463 453743191 /nfs/dbraw/zinc/74/31/91/453743191.db2.gz HYEZSAQFUARWCD-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000665554528 453746337 /nfs/dbraw/zinc/74/63/37/453746337.db2.gz NFDYXVSXGNDONV-GJZGRUSLSA-N 2 0 340.512 1.346 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555282 453747021 /nfs/dbraw/zinc/74/70/21/453747021.db2.gz AUFVGQPIJHXCIF-HNNXBMFYSA-N 2 0 340.512 1.394 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000665555897 453747093 /nfs/dbraw/zinc/74/70/93/453747093.db2.gz MWWWIOGIPKDUBR-HZPDHXFCSA-N 2 0 338.496 1.223 20 0 EDADRP Cn1ncc(C(F)(F)F)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657303922 453761581 /nfs/dbraw/zinc/76/15/81/453761581.db2.gz IMJOYTIXRPSGFX-UHFFFAOYSA-N 2 0 333.402 1.555 20 0 EDADRP C[C@@H](C[NH2+]Cc1c(C(F)(F)F)cnn1C)CN1CC[NH+](C)CC1 ZINC000657346880 453771061 /nfs/dbraw/zinc/77/10/61/453771061.db2.gz PFMOUIKSAFRMSG-LBPRGKRZSA-N 2 0 333.402 1.412 20 0 EDADRP Cn1ncc(C2CCC2)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657359515 453774237 /nfs/dbraw/zinc/77/42/37/453774237.db2.gz MWRAYWARNXTAES-MRXNPFEDSA-N 2 0 331.508 1.946 20 0 EDADRP Cn1nc(C(F)(F)F)cc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657387382 453779865 /nfs/dbraw/zinc/77/98/65/453779865.db2.gz UISIECNMCSODLP-UHFFFAOYSA-N 2 0 333.402 1.555 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]CCCc2ccc(C)nc2)CC1 ZINC000663505098 453812245 /nfs/dbraw/zinc/81/22/45/453812245.db2.gz DFGPIOZGUZMNON-UHFFFAOYSA-N 2 0 332.492 1.903 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661409368 453814333 /nfs/dbraw/zinc/81/43/33/453814333.db2.gz VECULTKQMNRANB-JKSUJKDBSA-N 2 0 338.496 1.412 20 0 EDADRP Cc1c(N2CCC[C@H]([NH+](C)C)C2)ncnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000663531656 453817044 /nfs/dbraw/zinc/81/70/44/453817044.db2.gz VZEWMKDKYPVFHA-IRXDYDNUSA-N 2 0 346.523 1.846 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[NH2+]C)c(C)c2)CC1 ZINC000414750625 486729576 /nfs/dbraw/zinc/72/95/76/486729576.db2.gz MDHQNNXLWUXDQI-UHFFFAOYSA-N 2 0 333.480 1.820 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415658651 486766076 /nfs/dbraw/zinc/76/60/76/486766076.db2.gz VQWSICZDLCWKBR-GJZGRUSLSA-N 2 0 332.448 1.115 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3CC3)C2)cc1 ZINC000680650325 486842635 /nfs/dbraw/zinc/84/26/35/486842635.db2.gz QTTLTVCDAPIBPZ-KRWDZBQOSA-N 2 0 346.475 1.663 20 0 EDADRP O=C(C[N@@H+]1CC[C@H](Cc2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000680888873 486886049 /nfs/dbraw/zinc/88/60/49/486886049.db2.gz FUUDCVIELOFUKA-QGZVFWFLSA-N 2 0 342.487 1.689 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000667792457 486967035 /nfs/dbraw/zinc/96/70/35/486967035.db2.gz ZOPYHGPKHXRVTA-OKILXGFUSA-N 2 0 347.463 1.348 20 0 EDADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673512680 487030578 /nfs/dbraw/zinc/03/05/78/487030578.db2.gz MAFLENLQXROBCX-MOPGFXCFSA-N 2 0 343.471 1.564 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000677335819 487048721 /nfs/dbraw/zinc/04/87/21/487048721.db2.gz CLFSJSGDIPZMJN-USXIJHARSA-N 2 0 338.496 1.079 20 0 EDADRP Cn1ccnc1[C@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)C1 ZINC000677362702 487056448 /nfs/dbraw/zinc/05/64/48/487056448.db2.gz INNNHTXEDHUREQ-RDJZCZTQSA-N 2 0 339.443 1.796 20 0 EDADRP O=C([C@H]1CCCN1Cc1ccccn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000673677594 487089753 /nfs/dbraw/zinc/08/97/53/487089753.db2.gz HYKLYYKZFMXWKW-PKOBYXMFSA-N 2 0 342.487 1.990 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677863559 487185111 /nfs/dbraw/zinc/18/51/11/487185111.db2.gz PRXCGRYPZGCATD-IBGZPJMESA-N 2 0 348.535 1.491 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000685925102 487346552 /nfs/dbraw/zinc/34/65/52/487346552.db2.gz CINWVZJDJZMKID-BRWVUGGUSA-N 2 0 342.528 1.905 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000675189425 487386614 /nfs/dbraw/zinc/38/66/14/487386614.db2.gz YVSGCLBBCSFQFU-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000669550904 485544666 /nfs/dbraw/zinc/54/46/66/485544666.db2.gz BLXIFOQLKAIQHI-INIZCTEOSA-N 2 0 331.464 1.739 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)[NH+]1CCOCC1 ZINC000669031516 485580125 /nfs/dbraw/zinc/58/01/25/485580125.db2.gz KVORINVRFBKSHU-DLBZAZTESA-N 2 0 340.512 1.565 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669128552 485712301 /nfs/dbraw/zinc/71/23/01/485712301.db2.gz APHHTKWVTHAKOI-YJBOKZPZSA-N 2 0 348.491 1.784 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000328014085 486028466 /nfs/dbraw/zinc/02/84/66/486028466.db2.gz WXOBIBJTLUGTNU-UHFFFAOYSA-N 3 0 346.519 1.678 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000675194920 486054934 /nfs/dbraw/zinc/05/49/34/486054934.db2.gz WWLFYDKTCVXUHV-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000669402873 486073068 /nfs/dbraw/zinc/07/30/68/486073068.db2.gz RCZCSSNORQUVLV-DLTWYDFYSA-N 2 0 326.485 1.255 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000669418935 486137872 /nfs/dbraw/zinc/13/78/72/486137872.db2.gz IZKCZQWFGMTOLE-HYVNUMGLSA-N 2 0 334.464 1.355 20 0 EDADRP O[C@@H](CN1CCOCC1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000078647517 486189559 /nfs/dbraw/zinc/18/95/59/486189559.db2.gz GTNPZGLYKOWLQL-LJQANCHMSA-N 2 0 339.524 1.268 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669463817 486215907 /nfs/dbraw/zinc/21/59/07/486215907.db2.gz FHDBJJIMFOZJMM-JKSUJKDBSA-N 2 0 336.480 1.025 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000669486304 486253086 /nfs/dbraw/zinc/25/30/86/486253086.db2.gz VQJDRGZBFUAUKX-ZBFHGGJFSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000669853163 486482671 /nfs/dbraw/zinc/48/26/71/486482671.db2.gz MHIZFIHFJLNOJO-FUHWJXTLSA-N 2 0 345.487 1.986 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)ccn1 ZINC000136992345 491232346 /nfs/dbraw/zinc/23/23/46/491232346.db2.gz AUWPPSTXDAUBEC-INIZCTEOSA-N 2 0 332.448 1.236 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000080095307 491170324 /nfs/dbraw/zinc/17/03/24/491170324.db2.gz ZZIQFCQLSOODBW-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000080150849 491171460 /nfs/dbraw/zinc/17/14/60/491171460.db2.gz CNDNYGDZJVYCTN-UHFFFAOYSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cc(-n2ccnc2)ncn1 ZINC000081010200 491176406 /nfs/dbraw/zinc/17/64/06/491176406.db2.gz QSCHOTKXVOUEKP-UHFFFAOYSA-N 2 0 331.468 1.372 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332692 536461533 /nfs/dbraw/zinc/46/15/33/536461533.db2.gz WVNAIZQDCLAOQU-FGTMMUONSA-N 2 0 334.508 1.987 20 0 EDADRP C(CN1CCOCC1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173960915 527482958 /nfs/dbraw/zinc/48/29/58/527482958.db2.gz WUAPGBXJMTYNMB-UHFFFAOYSA-N 2 0 325.497 1.286 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000187099043 528540000 /nfs/dbraw/zinc/54/00/00/528540000.db2.gz UXWXYKMXLJPVJO-UHFFFAOYSA-N 2 0 348.491 1.396 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000262583969 535203600 /nfs/dbraw/zinc/20/36/00/535203600.db2.gz SKCBDBULUATFIF-KRWDZBQOSA-N 2 0 344.503 1.946 20 0 EDADRP CCCN([C@@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262047940 535342836 /nfs/dbraw/zinc/34/28/36/535342836.db2.gz MFKLQLLEHFHMOY-OAHLLOKOSA-N 2 0 325.478 1.511 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339631586 535510825 /nfs/dbraw/zinc/51/08/25/535510825.db2.gz RUDKEBPICHZLJE-UHFFFAOYSA-N 2 0 340.512 1.215 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236875507 535689101 /nfs/dbraw/zinc/68/91/01/535689101.db2.gz SLMMRGCCOFNJGG-ROUUACIJSA-N 2 0 338.540 1.546 20 0 EDADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000262254479 535703157 /nfs/dbraw/zinc/70/31/57/535703157.db2.gz XCPPPSSJGFTPKD-UHFFFAOYSA-N 2 0 346.475 1.032 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)ccc2oc1=O ZINC000236991236 535933208 /nfs/dbraw/zinc/93/32/08/535933208.db2.gz GDEZBHHTTCOSJG-STQMWFEESA-N 2 0 346.431 1.612 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CC[NH2+]C1 ZINC000119621752 536025653 /nfs/dbraw/zinc/02/56/53/536025653.db2.gz CDDBEPQCEUFTQN-LJQANCHMSA-N 2 0 349.475 1.642 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000262152243 536303587 /nfs/dbraw/zinc/30/35/87/536303587.db2.gz PHGMIIRPUBKKIQ-UHFFFAOYSA-N 2 0 345.365 1.839 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237237637 536418975 /nfs/dbraw/zinc/41/89/75/536418975.db2.gz POKZIGHUTIRXAK-CVEARBPZSA-N 2 0 331.464 1.081 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000262276294 536665527 /nfs/dbraw/zinc/66/55/27/536665527.db2.gz TWVOQDXNHJHUPP-HIFRSBDPSA-N 2 0 349.431 1.146 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000726066315 578330716 /nfs/dbraw/zinc/33/07/16/578330716.db2.gz AUXLSYILYQRPFN-UHFFFAOYSA-N 2 0 347.459 1.095 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000753724464 578643576 /nfs/dbraw/zinc/64/35/76/578643576.db2.gz MIQWKRXZJXIIGL-UHFFFAOYSA-N 2 0 326.481 1.962 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730826378 578659933 /nfs/dbraw/zinc/65/99/33/578659933.db2.gz XAYQAQBLGKPEFN-BRWVUGGUSA-N 2 0 336.480 1.119 20 0 EDADRP C[NH+]1CCC(CNC(=S)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000760467134 580031441 /nfs/dbraw/zinc/03/14/41/580031441.db2.gz BCSOYYMFEZFOEU-UHFFFAOYSA-N 2 0 333.505 1.420 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734272143 578804103 /nfs/dbraw/zinc/80/41/03/578804103.db2.gz BGNPFMMJYDUQGR-HOCLYGCPSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000734275116 578804286 /nfs/dbraw/zinc/80/42/86/578804286.db2.gz OVUPBJZLMJPZSX-YOEHRIQHSA-N 2 0 338.496 1.412 20 0 EDADRP CC[N@@H+]1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@@H]1C ZINC000754022035 579894135 /nfs/dbraw/zinc/89/41/35/579894135.db2.gz NFJRGVWVGMDFPF-INIZCTEOSA-N 2 0 345.491 1.996 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605874 580124499 /nfs/dbraw/zinc/12/44/99/580124499.db2.gz DYFPNGYEKHOPKS-IRXDYDNUSA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+](C)C1CC(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000773494506 580338870 /nfs/dbraw/zinc/33/88/70/580338870.db2.gz ZYTUREYCKLVJCD-UHFFFAOYSA-N 2 0 330.476 1.408 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000781215948 580544511 /nfs/dbraw/zinc/54/45/11/580544511.db2.gz VLARMTUNUQTKOF-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCCCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000782911345 580587962 /nfs/dbraw/zinc/58/79/62/580587962.db2.gz YGEJTAWQPAJJBX-HZPDHXFCSA-N 2 0 341.455 1.994 20 0 EDADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)n1 ZINC000784449643 580621204 /nfs/dbraw/zinc/62/12/04/580621204.db2.gz DECUTMPDXJUOOC-UHFFFAOYSA-N 2 0 343.859 1.701 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000891908298 590682755 /nfs/dbraw/zinc/68/27/55/590682755.db2.gz VKNMCRPNCKIRKP-CQSZACIVSA-N 2 0 328.526 1.597 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891917222 590687775 /nfs/dbraw/zinc/68/77/75/590687775.db2.gz FUXHMMPZNQLGSW-AWEZNQCLSA-N 2 0 332.439 1.797 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000891953211 590704325 /nfs/dbraw/zinc/70/43/25/590704325.db2.gz NYAHHYFGYCCJBU-INIZCTEOSA-N 2 0 338.496 1.319 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000891956392 590707058 /nfs/dbraw/zinc/70/70/58/590707058.db2.gz PVGDNZATUPJJHH-ZWKOTPCHSA-N 2 0 332.492 1.978 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000891965242 590711705 /nfs/dbraw/zinc/71/17/05/590711705.db2.gz HUYNAYKNDYXYJT-UHFFFAOYSA-N 2 0 334.464 1.004 20 0 EDADRP CN1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)Cc2cccnc21 ZINC000892030282 590757084 /nfs/dbraw/zinc/75/70/84/590757084.db2.gz GEHSCGFCILNTCL-INIZCTEOSA-N 2 0 325.416 1.743 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc3c(c1)C[NH2+]C3)C2 ZINC000892088159 590792304 /nfs/dbraw/zinc/79/23/04/590792304.db2.gz JXOOBOMKBVEARO-UHFFFAOYSA-N 2 0 343.456 1.473 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000892100792 590798715 /nfs/dbraw/zinc/79/87/15/590798715.db2.gz MWBQEBJNOZFOMY-SFHVURJKSA-N 2 0 344.459 1.661 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000890851001 590812098 /nfs/dbraw/zinc/81/20/98/590812098.db2.gz ILFBKUYROCKISW-UHFFFAOYSA-N 2 0 343.475 1.675 20 0 EDADRP [NH3+][C@H]1CCCCCN(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000892131209 590815278 /nfs/dbraw/zinc/81/52/78/590815278.db2.gz QPSHDHHAVVAWLW-GTPINHCMSA-N 2 0 337.512 1.116 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892144032 590820062 /nfs/dbraw/zinc/82/00/62/590820062.db2.gz GXIOWDBSJBCANA-RIVXBTQJSA-N 2 0 330.476 1.886 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000892209667 590864875 /nfs/dbraw/zinc/86/48/75/590864875.db2.gz GGDLESUZAJUUES-QWHCGFSZSA-N 2 0 330.354 1.424 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)c(F)c1 ZINC000892226061 590873826 /nfs/dbraw/zinc/87/38/26/590873826.db2.gz UQLCSYFSZORBSJ-GOSISDBHSA-N 2 0 334.439 1.960 20 0 EDADRP COCCC1(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000892237292 590880125 /nfs/dbraw/zinc/88/01/25/590880125.db2.gz YWTNVLLNYVKYAN-HZPDHXFCSA-N 2 0 338.496 1.461 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000892252150 590887667 /nfs/dbraw/zinc/88/76/67/590887667.db2.gz FSPNNENCYRIAIL-MANSERQUSA-N 2 0 342.487 1.868 20 0 EDADRP CN1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](C)CC1 ZINC000888989525 590969246 /nfs/dbraw/zinc/96/92/46/590969246.db2.gz PJPOOBPDIROFGK-KRWDZBQOSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000892387553 591005464 /nfs/dbraw/zinc/00/54/64/591005464.db2.gz RHDIPPNCBCDTEJ-GJZGRUSLSA-N 2 0 340.512 1.251 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)Cc1ccccc1 ZINC000892407662 591015099 /nfs/dbraw/zinc/01/50/99/591015099.db2.gz BVWMQABREAODSA-QZTJIDSGSA-N 2 0 348.491 1.093 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000892430077 591024910 /nfs/dbraw/zinc/02/49/10/591024910.db2.gz AGZOTSPUBYHXJN-BZUAXINKSA-N 2 0 331.464 1.819 20 0 EDADRP COCCC1(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]CC1 ZINC000892478741 591041497 /nfs/dbraw/zinc/04/14/97/591041497.db2.gz PXPQXHWEUIENQP-AWEZNQCLSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484978 591044544 /nfs/dbraw/zinc/04/45/44/591044544.db2.gz RULQAKGOBGCHPJ-CABCVRRESA-N 2 0 340.512 1.251 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH+](C)C[C@H]32)c1 ZINC000892490152 591047280 /nfs/dbraw/zinc/04/72/80/591047280.db2.gz NUYMIPHKARIVJW-ZWKOTPCHSA-N 2 0 330.476 1.984 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000891344684 591051594 /nfs/dbraw/zinc/05/15/94/591051594.db2.gz MDGFPCSXPTXMDU-CALCHBBNSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348224 591053872 /nfs/dbraw/zinc/05/38/72/591053872.db2.gz CJGBZYQFNZQVMN-HZPDHXFCSA-N 2 0 338.496 1.319 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N(C)C3CC[NH2+]CC3)C2)cc1 ZINC000892529956 591060587 /nfs/dbraw/zinc/06/05/87/591060587.db2.gz GMRNUMQIABASJP-QGZVFWFLSA-N 2 0 330.476 1.963 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)C2)cc1 ZINC000892530035 591061177 /nfs/dbraw/zinc/06/11/77/591061177.db2.gz IBPJARBRKCVJQR-GVDBMIGSSA-N 2 0 334.439 1.650 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000891364934 591062043 /nfs/dbraw/zinc/06/20/43/591062043.db2.gz FRCGXYMMYNAJOK-IAGOWNOFSA-N 2 0 330.476 1.730 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546725 591068173 /nfs/dbraw/zinc/06/81/73/591068173.db2.gz KVDGXSDIYSUVPW-ZIFCJYIRSA-N 2 0 346.475 1.002 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(OCCOC)o2)CC1 ZINC000892575731 591078159 /nfs/dbraw/zinc/07/81/59/591078159.db2.gz ZGYVDUFPKYFMJV-HNNXBMFYSA-N 2 0 325.453 1.420 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000891465800 591079102 /nfs/dbraw/zinc/07/91/02/591079102.db2.gz POSDHIQFSUZYMR-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000891501364 591096803 /nfs/dbraw/zinc/09/68/03/591096803.db2.gz CWRNESLLXALJKF-BPQIPLTHSA-N 2 0 345.491 1.012 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000891514757 591103714 /nfs/dbraw/zinc/10/37/14/591103714.db2.gz YWZJBVSYLCRSKS-MPGHIAIKSA-N 2 0 338.496 1.256 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000892673242 591123136 /nfs/dbraw/zinc/12/31/36/591123136.db2.gz CLWJIDAQTDSTRN-INIZCTEOSA-N 2 0 347.459 1.242 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892687846 591130947 /nfs/dbraw/zinc/13/09/47/591130947.db2.gz YFPBSRNKMFPJGL-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(OCC[NH+](C)C)CC1)CSCC2 ZINC000894017934 591167561 /nfs/dbraw/zinc/16/75/61/591167561.db2.gz TVDZTYWEFQBTEQ-UHFFFAOYSA-N 2 0 338.521 1.752 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000892789073 591179162 /nfs/dbraw/zinc/17/91/62/591179162.db2.gz KRVNGYPDBQWHOU-MOPGFXCFSA-N 2 0 342.487 1.875 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892807985 591187063 /nfs/dbraw/zinc/18/70/63/591187063.db2.gz GPBLGYIAAKNWJM-QZTJIDSGSA-N 2 0 330.476 1.873 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892880573 591213395 /nfs/dbraw/zinc/21/33/95/591213395.db2.gz HDFMAOKPTHORFO-LBPRGKRZSA-N 2 0 337.493 1.496 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892879801 591214581 /nfs/dbraw/zinc/21/45/81/591214581.db2.gz TWMQHDHXOPJOBR-LBPRGKRZSA-N 2 0 337.493 1.496 20 0 EDADRP C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000891766435 591216819 /nfs/dbraw/zinc/21/68/19/591216819.db2.gz UDQJOCRERCFCLH-DRZSPHRISA-N 2 0 334.386 1.415 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891779003 591222085 /nfs/dbraw/zinc/22/20/85/591222085.db2.gz LUEBBIQCYGUXLI-HNNXBMFYSA-N 2 0 328.501 1.422 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892944348 591234644 /nfs/dbraw/zinc/23/46/44/591234644.db2.gz PAMCAPCLKMTUNP-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP COC(=O)c1sccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000892950751 591236947 /nfs/dbraw/zinc/23/69/47/591236947.db2.gz GRRWZNNUFDABCR-AWEZNQCLSA-N 2 0 326.462 1.861 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2nc(Br)c[nH]2)C[C@H]1C[NH+](C)C ZINC000895700641 591253117 /nfs/dbraw/zinc/25/31/17/591253117.db2.gz YIGAGZBDTMGPMP-VXGBXAGGSA-N 2 0 344.301 1.343 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)(c2ccccc2)CC1 ZINC000895826072 591277881 /nfs/dbraw/zinc/27/78/81/591277881.db2.gz PSPHPBXPAPSRSH-QGZVFWFLSA-N 2 0 336.501 1.817 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1(F)F ZINC000894332733 591281389 /nfs/dbraw/zinc/28/13/89/591281389.db2.gz QNZZTPVEANNPCE-XGUBFFRZSA-N 2 0 346.418 1.398 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895851397 591287849 /nfs/dbraw/zinc/28/78/49/591287849.db2.gz OSRSCCGBOXBBLC-MRXNPFEDSA-N 2 0 326.485 1.317 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895855454 591288469 /nfs/dbraw/zinc/28/84/69/591288469.db2.gz SBNXOGLIWIYZGW-OAGGEKHMSA-N 2 0 337.508 1.580 20 0 EDADRP COC[C@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894684784 591389089 /nfs/dbraw/zinc/38/90/89/591389089.db2.gz QFAIXHMAPXUCRJ-GFCCVEGCSA-N 2 0 332.347 1.167 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1 ZINC000896259425 591400939 /nfs/dbraw/zinc/40/09/39/591400939.db2.gz VJAAFFHXSNWDIS-FUHWJXTLSA-N 2 0 349.475 1.571 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000897455806 591461428 /nfs/dbraw/zinc/46/14/28/591461428.db2.gz VSXHZUGXXQOHFZ-IAGOWNOFSA-N 2 0 338.496 1.082 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000894987163 591512604 /nfs/dbraw/zinc/51/26/04/591512604.db2.gz MIENCRGHTHWPAA-IKGGRYGDSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@H]2C[N@H+](C)CCN2C)o1 ZINC000896570307 591530412 /nfs/dbraw/zinc/53/04/12/591530412.db2.gz YNMURTKFWWKCMR-GDBMZVCRSA-N 2 0 336.480 1.486 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897548716 591547625 /nfs/dbraw/zinc/54/76/25/591547625.db2.gz MQSTYIDZCJBVQS-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896628271 591557547 /nfs/dbraw/zinc/55/75/47/591557547.db2.gz MPXNFAOYRSJVSO-KRWDZBQOSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C1 ZINC000897584554 591568515 /nfs/dbraw/zinc/56/85/15/591568515.db2.gz DNWCCKOYVJYCKF-QWFCFKBJSA-N 2 0 345.487 1.595 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)cc1 ZINC000899174801 591719017 /nfs/dbraw/zinc/71/90/17/591719017.db2.gz ZTHNBHKKSSVSDT-MOPGFXCFSA-N 2 0 343.471 1.406 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccccc1 ZINC000895468903 591769134 /nfs/dbraw/zinc/76/91/34/591769134.db2.gz XGRFEIJKDSMJMN-OALUTQOASA-N 2 0 345.487 1.906 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C[C@@H]1C ZINC000898186308 591827304 /nfs/dbraw/zinc/82/73/04/591827304.db2.gz NKWOETHRRSPHCM-JKIFEVAISA-N 2 0 349.479 1.358 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000899554084 591846733 /nfs/dbraw/zinc/84/67/33/591846733.db2.gz WQLCJFMMLLDUGK-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900177761 591939568 /nfs/dbraw/zinc/93/95/68/591939568.db2.gz UAWLVEIEQUVCDZ-UHFFFAOYSA-N 2 0 330.432 1.012 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316701 591976575 /nfs/dbraw/zinc/97/65/75/591976575.db2.gz BXQZDLZJRKOXJS-LSDHHAIUSA-N 2 0 330.476 1.732 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)(N2CCOCC2)C1 ZINC000902378291 591984369 /nfs/dbraw/zinc/98/43/69/591984369.db2.gz YIDLIBNAFTXKEJ-MUYFXNHWSA-N 2 0 339.524 1.624 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000902363864 591986591 /nfs/dbraw/zinc/98/65/91/591986591.db2.gz NZQXYKFSFDUQOA-RBUKOAKNSA-N 2 0 331.504 1.773 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)c2ccnn2CC[NH+](C)C)([NH+](C)C)C1 ZINC000900320311 591990292 /nfs/dbraw/zinc/99/02/92/591990292.db2.gz DRNAOYSORFHICC-MAUKXSAKSA-N 2 0 335.496 1.685 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900344537 591996497 /nfs/dbraw/zinc/99/64/97/591996497.db2.gz LSOVEWQNLULLMY-ZWKOTPCHSA-N 2 0 338.540 1.639 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000900537148 592050810 /nfs/dbraw/zinc/05/08/10/592050810.db2.gz DXYHNTUDKPTEGB-PKOBYXMFSA-N 2 0 337.508 1.556 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903059030 592111043 /nfs/dbraw/zinc/11/10/43/592111043.db2.gz LZIOGFQXCSPFFW-UXHICEINSA-N 2 0 345.487 1.342 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@H]1CCCc3nn(C)cc31)C2 ZINC000903117109 592123334 /nfs/dbraw/zinc/12/33/34/592123334.db2.gz UNQRDVBYOVCOLD-DZRGKWQISA-N 2 0 332.492 1.867 20 0 EDADRP Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[nH]1 ZINC000903219490 592141816 /nfs/dbraw/zinc/14/18/16/592141816.db2.gz GXTIELFIUUOKKY-IBWRZXHSSA-N 2 0 331.464 1.938 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1CCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000900840363 592143664 /nfs/dbraw/zinc/14/36/64/592143664.db2.gz KCNHRIIOWACNFX-WCVJEAGWSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(CO)COCCN1C ZINC000903278823 592150563 /nfs/dbraw/zinc/15/05/63/592150563.db2.gz HPDCMLCHLWDVIR-MISYRCLQSA-N 2 0 347.503 1.180 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903454411 592173802 /nfs/dbraw/zinc/17/38/02/592173802.db2.gz BOBHRUPLFSQGHC-AEFFLSMTSA-N 3 0 338.540 1.402 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1cccc(Cl)c1)C2 ZINC000903493483 592185548 /nfs/dbraw/zinc/18/55/48/592185548.db2.gz YMWYRJJSTIULOG-QEORTHHSSA-N 2 0 338.835 1.931 20 0 EDADRP O=C1CC[C@@H]([NH2+]C[C@H]2CC[C@H](C(F)(F)F)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903527040 592196975 /nfs/dbraw/zinc/19/69/75/592196975.db2.gz QRHRLLQURFHTJY-BHPKHCPMSA-N 2 0 349.397 1.333 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cc1 ZINC000903562004 592210590 /nfs/dbraw/zinc/21/05/90/592210590.db2.gz UOHPBAXMGLFHCY-JTDSTZFVSA-N 2 0 347.459 1.948 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)c2ccccc2O1 ZINC000901059813 592219779 /nfs/dbraw/zinc/21/97/79/592219779.db2.gz CWPXYHYFJJTFKP-KXBFYZLASA-N 2 0 347.459 1.189 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906647069 592232013 /nfs/dbraw/zinc/23/20/13/592232013.db2.gz ZZRJGKJZUTZUHB-AWEZNQCLSA-N 2 0 346.475 1.667 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3ccc(N)nn3)CC2)CC1 ZINC000904342637 592234403 /nfs/dbraw/zinc/23/44/03/592234403.db2.gz LXGHDZZPPPBIIV-UHFFFAOYSA-N 2 0 346.523 1.687 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)c2)C1 ZINC000904360258 592238381 /nfs/dbraw/zinc/23/83/81/592238381.db2.gz KARZUAOQXNVLMZ-OKZBNKHCSA-N 3 0 330.476 1.211 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906657399 592239103 /nfs/dbraw/zinc/23/91/03/592239103.db2.gz YHLXVMFDEODKBD-CQSZACIVSA-N 2 0 332.448 1.274 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906658094 592240210 /nfs/dbraw/zinc/24/02/10/592240210.db2.gz VGOGIKRHGBSMMB-JKSUJKDBSA-N 2 0 346.475 1.808 20 0 EDADRP [NH3+]CCN1CCC([NH2+]Cc2ccnc(OCC(F)(F)F)c2)CC1 ZINC000904362854 592241238 /nfs/dbraw/zinc/24/12/38/592241238.db2.gz TZGJNIJFMWUYNH-UHFFFAOYSA-N 2 0 332.370 1.535 20 0 EDADRP C[C@]1(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378929 592245030 /nfs/dbraw/zinc/24/50/30/592245030.db2.gz MWGFNTZATSUOJN-APWZRJJASA-N 2 0 346.523 1.388 20 0 EDADRP CCNC(=O)COc1ccc(CN2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1OC ZINC000904420350 592258319 /nfs/dbraw/zinc/25/83/19/592258319.db2.gz LIJUDPKXEXDPHZ-JKSUJKDBSA-N 2 0 347.459 1.251 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020086 592268229 /nfs/dbraw/zinc/26/82/29/592268229.db2.gz GRRMZVKLJHJVNI-KSZLIROESA-N 2 0 335.492 1.574 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908034707 592281888 /nfs/dbraw/zinc/28/18/88/592281888.db2.gz GRRMZVKLJHJVNI-KURKYZTESA-N 2 0 335.492 1.574 20 0 EDADRP O=C1C[C@@H](c2ccccc2)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723304 592283641 /nfs/dbraw/zinc/28/36/41/592283641.db2.gz UXZFHJPZZUYWHA-MSOLQXFVSA-N 2 0 343.471 1.708 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@H](C(F)(F)F)O2)C1 ZINC000903713523 592291307 /nfs/dbraw/zinc/29/13/07/592291307.db2.gz ULTPLJBIGOLKIM-JHJVBQTASA-N 2 0 337.386 1.273 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761537 592308032 /nfs/dbraw/zinc/30/80/32/592308032.db2.gz VSUZSICIEURFNE-AWEZNQCLSA-N 2 0 325.482 1.286 20 0 EDADRP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)cn1 ZINC000903766073 592309286 /nfs/dbraw/zinc/30/92/86/592309286.db2.gz NWYSJBRYCQCYRV-RCCFBDPRSA-N 2 0 332.492 1.880 20 0 EDADRP C[C@@]1(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)COC(=O)N1 ZINC000903787180 592322995 /nfs/dbraw/zinc/32/29/95/592322995.db2.gz VEHVNNJXNNNLKF-RDJZCZTQSA-N 2 0 337.464 1.356 20 0 EDADRP Cc1noc(C[C@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000903822962 592334718 /nfs/dbraw/zinc/33/47/18/592334718.db2.gz ASVSHWKAGGTIHT-SQNIBIBYSA-N 2 0 344.459 1.563 20 0 EDADRP c1cc(CN2CCN(CC[NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903878783 592359809 /nfs/dbraw/zinc/35/98/09/592359809.db2.gz YTJRFWWHKVFZDW-UHFFFAOYSA-N 2 0 328.504 1.546 20 0 EDADRP C[C@@](O)(C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000905035000 592372980 /nfs/dbraw/zinc/37/29/80/592372980.db2.gz NCLYVTLDFRJZMR-GOSISDBHSA-N 2 0 341.446 1.800 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CCOc2ccc(F)cc2F)cnn1C ZINC000903922609 592378439 /nfs/dbraw/zinc/37/84/39/592378439.db2.gz AOBPXYPIROXBLH-CYBMUJFWSA-N 2 0 338.402 1.793 20 0 EDADRP CC[C@@](O)(C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C(F)(F)F ZINC000905048259 592378932 /nfs/dbraw/zinc/37/89/32/592378932.db2.gz CHNUAZCICOIKIC-OAHLLOKOSA-N 2 0 346.397 1.626 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903925237 592380089 /nfs/dbraw/zinc/38/00/89/592380089.db2.gz CHUOVFNEWCIZNB-WMLDXEAASA-N 2 0 344.459 1.448 20 0 EDADRP CC(C)[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C1(CO)CCCC1 ZINC000903927809 592381407 /nfs/dbraw/zinc/38/14/07/592381407.db2.gz UDHLUITWVUXEHD-WBVHZDCISA-N 2 0 335.496 1.870 20 0 EDADRP COc1ccc(CC[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903926450 592381416 /nfs/dbraw/zinc/38/14/16/592381416.db2.gz SGPCDZVPYRBALB-INIZCTEOSA-N 2 0 346.475 1.695 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903931428 592384331 /nfs/dbraw/zinc/38/43/31/592384331.db2.gz DORGOZUPPSKYIO-CRAIPNDOSA-N 2 0 326.448 1.261 20 0 EDADRP C[C@H](C[NH2+]CC1(O)C2CC3CC(C2)CC1C3)CN1CC[NH+](C)CC1 ZINC000905110896 592411797 /nfs/dbraw/zinc/41/17/97/592411797.db2.gz PPTZALIBOLMWSQ-YDGYHQHPSA-N 2 0 335.536 1.647 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000905340330 592510984 /nfs/dbraw/zinc/51/09/84/592510984.db2.gz MNNKPAPNDCIPKL-INIZCTEOSA-N 2 0 329.510 1.266 20 0 EDADRP CN(C)c1nccc2cc(NC(=O)C3CN(C)CC[N@H+](C)C3)ccc21 ZINC000908535801 592528436 /nfs/dbraw/zinc/52/84/36/592528436.db2.gz XXMOFSKGONKRCF-UHFFFAOYSA-N 2 0 341.459 1.733 20 0 EDADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905436289 592534113 /nfs/dbraw/zinc/53/41/13/592534113.db2.gz WQIGLQLASMZCGE-NVXWUHKLSA-N 2 0 349.475 1.107 20 0 EDADRP C[N@@H+]1CCN(C(=O)CCCCN2CCOCC2)CC12CCCCC2 ZINC000908570431 592543130 /nfs/dbraw/zinc/54/31/30/592543130.db2.gz CBXKBHCSUXYRIV-UHFFFAOYSA-N 2 0 337.508 1.966 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC2(CCC2)CO1)CN1CCc2ccccc2C1 ZINC000905471972 592544474 /nfs/dbraw/zinc/54/44/74/592544474.db2.gz FEWQFBJTIJDAPO-OALUTQOASA-N 2 0 330.472 1.954 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000906067556 592736269 /nfs/dbraw/zinc/73/62/69/592736269.db2.gz CMYQZNULDILZDR-UHFFFAOYSA-N 2 0 344.503 1.392 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000906097038 592741352 /nfs/dbraw/zinc/74/13/52/592741352.db2.gz LIPYLWLQNUQZRQ-HUUCEWRRSA-N 2 0 333.480 1.264 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000907747532 592787467 /nfs/dbraw/zinc/78/74/67/592787467.db2.gz UDJKEKDZLPBZAA-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000910268880 592814966 /nfs/dbraw/zinc/81/49/66/592814966.db2.gz YXJQVVJBQVBJAG-KBAYOESNSA-N 2 0 347.507 1.398 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000910281013 592819716 /nfs/dbraw/zinc/81/97/16/592819716.db2.gz GTIQCLIZMNBSGZ-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP Cn1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)c(-c2ccc3c(c2)OCCCO3)n1 ZINC000906517258 592838969 /nfs/dbraw/zinc/83/89/69/592838969.db2.gz LAFLRYAWLDKNBY-SHTZXODSSA-N 2 0 328.416 1.828 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000907951837 592854887 /nfs/dbraw/zinc/85/48/87/592854887.db2.gz APQLNPIPAXEPSG-KRWDZBQOSA-N 2 0 347.507 1.972 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906644788 592865644 /nfs/dbraw/zinc/86/56/44/592865644.db2.gz OELBMBBJWXAHJY-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000736798134 593038211 /nfs/dbraw/zinc/03/82/11/593038211.db2.gz QJNBHGNAHBGXDA-OAHLLOKOSA-N 2 0 344.463 1.909 20 0 EDADRP CN(CC[N@H+](C)CCO)C(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000912598859 593107241 /nfs/dbraw/zinc/10/72/41/593107241.db2.gz IGAHHJFMOOXYEW-UHFFFAOYSA-N 2 0 333.476 1.669 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CN3C(=O)C(C)(C)[C@@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087592 593156906 /nfs/dbraw/zinc/15/69/06/593156906.db2.gz KTJQCRZSYPXNTA-BXWFABGCSA-N 2 0 335.492 1.778 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc([C@H](C)O)s2)CC1 ZINC000809615301 593350282 /nfs/dbraw/zinc/35/02/82/593350282.db2.gz ADXJCYLGVBSAFT-KGLIPLIRSA-N 2 0 326.510 1.560 20 0 EDADRP C[C@H]1C[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C[C@H]1C ZINC000840017482 593370868 /nfs/dbraw/zinc/37/08/68/593370868.db2.gz ZEDWDFFQPAHLGG-LVYXFOGZSA-N 2 0 341.455 1.649 20 0 EDADRP COCCCN(C(=S)NCCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000811715771 593476721 /nfs/dbraw/zinc/47/67/21/593476721.db2.gz BEMVHQCUBHDACU-UHFFFAOYSA-N 2 0 330.542 1.245 20 0 EDADRP C[C@@H](CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)C[NH+](C)C ZINC000816833202 593552590 /nfs/dbraw/zinc/55/25/90/593552590.db2.gz ARAGLALTKMRDFJ-KXKDPZRNSA-N 2 0 333.476 1.954 20 0 EDADRP COc1c(C)cc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1Cl ZINC000817946259 593651143 /nfs/dbraw/zinc/65/11/43/593651143.db2.gz UUNQTIZHIBBEQQ-LBPRGKRZSA-N 2 0 325.840 1.739 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000819058354 593736398 /nfs/dbraw/zinc/73/63/98/593736398.db2.gz IXCJLXHDDFMTKL-KBXCAEBGSA-N 2 0 341.446 1.861 20 0 EDADRP CNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)cc1 ZINC000820806457 593894409 /nfs/dbraw/zinc/89/44/09/593894409.db2.gz IVIQVDULEYOWHQ-AYHJJNSGSA-N 2 0 331.460 1.778 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869552 593911304 /nfs/dbraw/zinc/91/13/04/593911304.db2.gz WZHSHCSVEQQBCV-GJZGRUSLSA-N 2 0 346.418 1.618 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824412610 594005772 /nfs/dbraw/zinc/00/57/72/594005772.db2.gz BVXUDSJWYFIPFD-OLZOCXBDSA-N 2 0 347.442 1.292 20 0 EDADRP CN(C)c1ncc(C[N@@H+]2CCC[C@H]2C[C@H](O)c2cnn(C)c2)n1C ZINC000822446304 594049796 /nfs/dbraw/zinc/04/97/96/594049796.db2.gz DMJYDYOLKKJPAW-HOCLYGCPSA-N 2 0 332.452 1.308 20 0 EDADRP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]2C[C@@H](O)c2cnn(C)c2)n1C ZINC000822446302 594049972 /nfs/dbraw/zinc/04/99/72/594049972.db2.gz DMJYDYOLKKJPAW-GDBMZVCRSA-N 2 0 332.452 1.308 20 0 EDADRP CCOC(=O)[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000825148169 594136520 /nfs/dbraw/zinc/13/65/20/594136520.db2.gz VEUCNNGBXPAPLN-OAGGEKHMSA-N 2 0 341.496 1.020 20 0 EDADRP CN(C)c1nc(Cl)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000823123638 594156904 /nfs/dbraw/zinc/15/69/04/594156904.db2.gz DZJVRUHQKNEQRR-UHFFFAOYSA-N 2 0 347.916 1.428 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000823244203 594174634 /nfs/dbraw/zinc/17/46/34/594174634.db2.gz TVNZYAWVBUJLBA-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1cc(C)n(CCCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000827891973 594298896 /nfs/dbraw/zinc/29/88/96/594298896.db2.gz DYUKUGSEQMABGD-QZTJIDSGSA-N 2 0 349.523 1.478 20 0 EDADRP C[NH+](C)CC1(O)CCN(C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000828196053 594363141 /nfs/dbraw/zinc/36/31/41/594363141.db2.gz MTPWDGNLWMZBBN-UHFFFAOYSA-N 2 0 349.475 1.794 20 0 EDADRP COCC1(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC000831088700 594552978 /nfs/dbraw/zinc/55/29/78/594552978.db2.gz JUFOHMSNNNKBEZ-UHFFFAOYSA-N 2 0 337.508 1.916 20 0 EDADRP CN1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)Cc2cccnc21 ZINC000831112422 594559255 /nfs/dbraw/zinc/55/92/55/594559255.db2.gz LFLSOUDQVVAXIH-UHFFFAOYSA-N 2 0 332.448 1.218 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c2)CC1 ZINC000831490788 594641893 /nfs/dbraw/zinc/64/18/93/594641893.db2.gz PFSWUBSRKCGWEA-GOSISDBHSA-N 2 0 334.439 1.857 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000827251180 594656360 /nfs/dbraw/zinc/65/63/60/594656360.db2.gz WCZGMQGFUMJMIM-INIZCTEOSA-N 2 0 332.448 1.146 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC(C)([NH+]3CCCCC3)CC2)n1 ZINC000832221192 594736398 /nfs/dbraw/zinc/73/63/98/594736398.db2.gz CDGIRYGKLDJLIV-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000832603744 594763244 /nfs/dbraw/zinc/76/32/44/594763244.db2.gz MJSJHYLNQMQTKV-HNNXBMFYSA-N 2 0 329.404 1.397 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]CCN3CC[NH2+]CC3)CC2)cc1 ZINC000841045089 594843809 /nfs/dbraw/zinc/84/38/09/594843809.db2.gz OIENHMRVDOXMBO-UHFFFAOYSA-N 2 0 331.508 1.216 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H]2C)c1 ZINC000841050430 594844507 /nfs/dbraw/zinc/84/45/07/594844507.db2.gz GYMISHBDVQKDDK-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@@H]1CN(C(=O)NCCCCCCC[NH+](C)C)[C@@H](C)C[N@@H+]1CCO ZINC000842177758 595029768 /nfs/dbraw/zinc/02/97/68/595029768.db2.gz JDQDQSNMZGBDHI-SJORKVTESA-N 2 0 342.528 1.595 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@@H]([NH3+])C4)n3)cn2)CC1 ZINC000843209088 595036779 /nfs/dbraw/zinc/03/67/79/595036779.db2.gz XVLBMKUQVYYSJE-OKILXGFUSA-N 2 0 328.420 1.478 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CCc1ccccc1 ZINC000843339846 595079571 /nfs/dbraw/zinc/07/95/71/595079571.db2.gz HKYLALPXKMEEEI-FGTMMUONSA-N 2 0 336.501 1.622 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000843386039 595096171 /nfs/dbraw/zinc/09/61/71/595096171.db2.gz BIKBHBADZIHIHL-XYJFISCASA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843494060 595129935 /nfs/dbraw/zinc/12/99/35/595129935.db2.gz IFWIYPCRSVDKRG-QXAKKESOSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000844169756 595289772 /nfs/dbraw/zinc/28/97/72/595289772.db2.gz CPKKLFPYTSKEOI-GOSISDBHSA-N 2 0 349.450 1.675 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000844176017 595292991 /nfs/dbraw/zinc/29/29/91/595292991.db2.gz PLJMIOQBZGGEHH-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000844187672 595297002 /nfs/dbraw/zinc/29/70/02/595297002.db2.gz MUSSALSBTHRIBE-ZACQAIPSSA-N 2 0 341.496 1.008 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000846674360 595298644 /nfs/dbraw/zinc/29/86/44/595298644.db2.gz NDQPFDJSCCCBQK-QGZVFWFLSA-N 3 0 333.480 1.046 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222939 595307120 /nfs/dbraw/zinc/30/71/20/595307120.db2.gz NTKKJCNOYSTNIT-JKSUJKDBSA-N 2 0 346.475 1.521 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)c1 ZINC000844910727 595412012 /nfs/dbraw/zinc/41/20/12/595412012.db2.gz XSKOJCIKHCXFTD-KSSFIOAISA-N 2 0 344.415 1.164 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000848903694 595465197 /nfs/dbraw/zinc/46/51/97/595465197.db2.gz XMRDXTOBCGVQTA-XHPSBEMXSA-N 2 0 335.448 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000849064288 595477010 /nfs/dbraw/zinc/47/70/10/595477010.db2.gz MBVVMTCFCHFVJJ-KRWDZBQOSA-N 2 0 326.448 1.971 20 0 EDADRP CC(C)CCNC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849068730 595477444 /nfs/dbraw/zinc/47/74/44/595477444.db2.gz JKCYCFWFRJAFEO-UHFFFAOYSA-N 2 0 347.511 1.539 20 0 EDADRP C[N@H+](CCOc1cccc(CNC(=[NH2+])N2CCC2)c1)C1CCOCC1 ZINC000849111972 595483916 /nfs/dbraw/zinc/48/39/16/595483916.db2.gz OAWGVGMNAZYDSS-UHFFFAOYSA-N 2 0 346.475 1.906 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849508982 595553983 /nfs/dbraw/zinc/55/39/83/595553983.db2.gz KMZLHKSVACKLFX-QZTJIDSGSA-N 2 0 347.507 1.304 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509897 595554610 /nfs/dbraw/zinc/55/46/10/595554610.db2.gz GIDCOTZGVBYTHT-KBAYOESNSA-N 2 0 347.507 1.302 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849552935 595563394 /nfs/dbraw/zinc/56/33/94/595563394.db2.gz PGMFMPHXCJMFJT-KSZLIROESA-N 2 0 347.507 1.254 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C[C@H]1c1ccccc1 ZINC000852830681 595564849 /nfs/dbraw/zinc/56/48/49/595564849.db2.gz YTSCPWSYEBIRMC-JKSUJKDBSA-N 2 0 340.427 1.709 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852857989 595579229 /nfs/dbraw/zinc/57/92/29/595579229.db2.gz LZZZPPIRXPNMSL-KRWDZBQOSA-N 2 0 344.459 1.638 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858279 595580068 /nfs/dbraw/zinc/58/00/68/595580068.db2.gz WUKTWTQECWADQZ-RHSMWYFYSA-N 2 0 344.459 1.781 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)=NO1 ZINC000852862886 595583778 /nfs/dbraw/zinc/58/37/78/595583778.db2.gz MGWZIVTZSANXFJ-CHWSQXEVSA-N 2 0 336.461 1.180 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863001 595584204 /nfs/dbraw/zinc/58/42/04/595584204.db2.gz IUMSLWMFKBFFBL-CQSZACIVSA-N 2 0 348.472 1.586 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870531 595590050 /nfs/dbraw/zinc/59/00/50/595590050.db2.gz DGWXDCIJHKGPDA-KBMXLJTQSA-N 2 0 330.432 1.117 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000852878493 595594793 /nfs/dbraw/zinc/59/47/93/595594793.db2.gz PCOMUDPOYIJXEW-GUTXKFCHSA-N 2 0 327.350 1.482 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1COC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000861037872 595873600 /nfs/dbraw/zinc/87/36/00/595873600.db2.gz NJCSANGNCMIITP-WMLDXEAASA-N 2 0 330.444 1.853 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)N(C)C)C2)ccn1 ZINC000856584229 596021717 /nfs/dbraw/zinc/02/17/17/596021717.db2.gz FNFKWNZPLBPTHW-QGZVFWFLSA-N 2 0 334.464 1.465 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861567599 596031591 /nfs/dbraw/zinc/03/15/91/596031591.db2.gz KWLCWENTNPOZMF-KRWDZBQOSA-N 2 0 338.496 1.319 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCNC3=O)C2)ccn1 ZINC000856604432 596032344 /nfs/dbraw/zinc/03/23/44/596032344.db2.gz WWBANGHKEQZMMX-ZWKOTPCHSA-N 2 0 346.475 1.654 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861746149 596087199 /nfs/dbraw/zinc/08/71/99/596087199.db2.gz CTFJCTWMDHQURF-NVXWUHKLSA-N 2 0 346.475 1.054 20 0 EDADRP CC1(C)CC[C@@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)OC1 ZINC000866668702 596285867 /nfs/dbraw/zinc/28/58/67/596285867.db2.gz IMKRSJNSCUIMCW-XHSDSOJGSA-N 2 0 337.464 1.449 20 0 EDADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866706323 596301610 /nfs/dbraw/zinc/30/16/10/596301610.db2.gz HIHDXFCVBWGFLO-SFHVURJKSA-N 2 0 339.480 1.095 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710970 596303792 /nfs/dbraw/zinc/30/37/92/596303792.db2.gz YLVLQPGCEJFKNN-MTSZKFMLSA-N 2 0 337.464 1.449 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000866711334 596305155 /nfs/dbraw/zinc/30/51/55/596305155.db2.gz IGOBIUQRJBOVSQ-OKZBNKHCSA-N 2 0 327.428 1.931 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000870864774 596382021 /nfs/dbraw/zinc/38/20/21/596382021.db2.gz LMLJDOQOSPOBQT-IYARVYRRSA-N 2 0 344.503 1.832 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870865767 596382468 /nfs/dbraw/zinc/38/24/68/596382468.db2.gz IIWPAKPGERWFQB-GJYPPUQNSA-N 2 0 328.460 1.500 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)c2ccccc2)CC1 ZINC000870880459 596387519 /nfs/dbraw/zinc/38/75/19/596387519.db2.gz XRPDBHHXMVCQAW-GUDVDZBRSA-N 2 0 344.503 1.609 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)c1 ZINC000870879584 596387534 /nfs/dbraw/zinc/38/75/34/596387534.db2.gz DMUUTCLSUMUAAU-WOVMCDHWSA-N 2 0 346.475 1.112 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000870881166 596388198 /nfs/dbraw/zinc/38/81/98/596388198.db2.gz GSJCCCWYZAHOKP-PNYFIKQUSA-N 2 0 327.472 1.795 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907497 596398927 /nfs/dbraw/zinc/39/89/27/596398927.db2.gz WSNAKSDRRNSTNM-RISCZKNCSA-N 2 0 334.489 1.823 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919801 596404966 /nfs/dbraw/zinc/40/49/66/596404966.db2.gz HZNWMFHDVVHIJE-BXUZGUMPSA-N 2 0 340.265 1.907 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000870927638 596408516 /nfs/dbraw/zinc/40/85/16/596408516.db2.gz YLKJOJPJZSFKTJ-YQVWRLOYSA-N 2 0 335.492 1.465 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000870994172 596432645 /nfs/dbraw/zinc/43/26/45/596432645.db2.gz OGNJOXIJLJUWQX-SUMWQHHRSA-N 2 0 334.468 1.040 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000867962800 596636313 /nfs/dbraw/zinc/63/63/13/596636313.db2.gz CBQJSEVNWVEELV-GWCFXTLKSA-N 2 0 326.238 1.565 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000867964706 596637170 /nfs/dbraw/zinc/63/71/70/596637170.db2.gz RBURKNOYPRIBCS-VHRBIJSZSA-N 2 0 340.265 1.953 20 0 EDADRP C[C@H](O)c1ncc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000865708585 596656071 /nfs/dbraw/zinc/65/60/71/596656071.db2.gz ROTBUCQCZOOULR-LBPRGKRZSA-N 2 0 333.461 1.955 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(N4CCCC4)nc3)CC[C@@H]21 ZINC000868029422 596660989 /nfs/dbraw/zinc/66/09/89/596660989.db2.gz XMSPOLHNWRJEPK-IRXDYDNUSA-N 2 0 343.475 1.917 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnn2CC2CCC2)C[C@H]1C[NH+](C)C ZINC000870016596 596708954 /nfs/dbraw/zinc/70/89/54/596708954.db2.gz PLDYMFRAGJJSMI-IAGOWNOFSA-N 2 0 347.507 1.495 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCOC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870017764 596710182 /nfs/dbraw/zinc/71/01/82/596710182.db2.gz GMAXNMLKGSLGHL-HZPDHXFCSA-N 2 0 327.513 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2ccccn2)C[C@H]1C[NH+](C)C ZINC000870018951 596710916 /nfs/dbraw/zinc/71/09/16/596710916.db2.gz JPHAICWUGDNVOP-HZPDHXFCSA-N 2 0 332.492 1.557 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2c(F)cccc2F)C[C@H]1C[NH+](C)C ZINC000870020432 596711364 /nfs/dbraw/zinc/71/13/64/596711364.db2.gz PVZQUTNOEPBWIS-ZIAGYGMSSA-N 2 0 339.430 1.705 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@H](C)C1 ZINC000868180863 596713936 /nfs/dbraw/zinc/71/39/36/596713936.db2.gz UPNDRRXMIAHBQT-OSRSDYAFSA-N 2 0 332.448 1.420 20 0 EDADRP COc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000870023637 596714013 /nfs/dbraw/zinc/71/40/13/596714013.db2.gz GFZVIFIVSUNVSX-ZIAGYGMSSA-N 2 0 335.448 1.212 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871821888 596715293 /nfs/dbraw/zinc/71/52/93/596715293.db2.gz ASBCDFQKKDJAOY-WBVHZDCISA-N 2 0 345.553 1.888 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3nccn3CC(F)(F)F)CC[C@H]21 ZINC000868219958 596731642 /nfs/dbraw/zinc/73/16/42/596731642.db2.gz ODAGHHQMZDIFJO-NWDGAFQWSA-N 2 0 345.369 1.681 20 0 EDADRP Cc1ccccc1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866040732 596770072 /nfs/dbraw/zinc/77/00/72/596770072.db2.gz GCBRHUJWSHOEJA-RTBURBONSA-N 2 0 346.519 1.918 20 0 EDADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000872080037 596801700 /nfs/dbraw/zinc/80/17/00/596801700.db2.gz RXISVKDXFFKNGI-QZTJIDSGSA-N 2 0 339.524 1.578 20 0 EDADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156188 596815932 /nfs/dbraw/zinc/81/59/32/596815932.db2.gz GAQCZOJMDPXHBM-WBVHZDCISA-N 2 0 345.553 1.888 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(OC(C)(C)C)CC2)CC1 ZINC000872218026 596840799 /nfs/dbraw/zinc/84/07/99/596840799.db2.gz DUNREHONNPHGPZ-AQFXKWCLSA-N 2 0 327.513 1.311 20 0 EDADRP CCOc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255431 596856569 /nfs/dbraw/zinc/85/65/69/596856569.db2.gz WWRGKUZKBHMMCF-OIISXLGYSA-N 2 0 331.416 1.452 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000872302101 596873809 /nfs/dbraw/zinc/87/38/09/596873809.db2.gz OMYNJZYCQCZCII-BBWFWOEESA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC[NH+](C)CC1 ZINC000866491937 596892969 /nfs/dbraw/zinc/89/29/69/596892969.db2.gz BHHGMAOXMVHULU-BPUTZDHNSA-N 2 0 341.496 1.677 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875868267 597017867 /nfs/dbraw/zinc/01/78/67/597017867.db2.gz FUWRVDYIDWVJBB-RNGXCGTMSA-N 2 0 340.512 1.179 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCC1)[C@H]1CCOC1 ZINC000876098239 597089103 /nfs/dbraw/zinc/08/91/03/597089103.db2.gz NLSPPECNRSOTLW-IRXDYDNUSA-N 2 0 340.512 1.326 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)n1C ZINC000873106815 597197103 /nfs/dbraw/zinc/19/71/03/597197103.db2.gz FJGWOCQXKDHCQP-UHFFFAOYSA-N 2 0 336.480 1.317 20 0 EDADRP COc1ccc(OC)c([C@H](O)[C@H](C)[NH2+]Cc2cnc(N(C)C)n2C)c1 ZINC000873193447 597223342 /nfs/dbraw/zinc/22/33/42/597223342.db2.gz CFYREVCGVXRBDY-YVEFUNNKSA-N 2 0 348.447 1.715 20 0 EDADRP CC[C@H](C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[NH+](C)C ZINC000876521815 597229371 /nfs/dbraw/zinc/22/93/71/597229371.db2.gz XNMHZYHXHBBDRK-XJKSGUPXSA-N 2 0 333.432 1.874 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000874986495 597231798 /nfs/dbraw/zinc/23/17/98/597231798.db2.gz FTZZRSZMMMQZID-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000873248937 597239301 /nfs/dbraw/zinc/23/93/01/597239301.db2.gz JCLCJWNRLNMXEL-BRWVUGGUSA-N 2 0 342.443 1.216 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cn1 ZINC000873310721 597253017 /nfs/dbraw/zinc/25/30/17/597253017.db2.gz NDYUVAMVNFUUIW-PWSUYJOCSA-N 2 0 348.373 1.046 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876709156 597297366 /nfs/dbraw/zinc/29/73/66/597297366.db2.gz KQZSRKZQTZVVQP-UMVBOHGHSA-N 2 0 325.453 1.949 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000876723018 597305918 /nfs/dbraw/zinc/30/59/18/597305918.db2.gz KSLMXIURWOHWOP-GDBMZVCRSA-N 2 0 333.480 1.578 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875162002 597308662 /nfs/dbraw/zinc/30/86/62/597308662.db2.gz KTWQUZGZRVMVRH-GVDBMIGSSA-N 3 0 341.544 1.098 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000876732297 597311353 /nfs/dbraw/zinc/31/13/53/597311353.db2.gz SHPFAIKUHGFHDF-WBVHZDCISA-N 2 0 347.507 1.968 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000876745905 597319128 /nfs/dbraw/zinc/31/91/28/597319128.db2.gz GTPBEZQBBIXUJK-DUZOWNIDSA-N 2 0 348.535 1.415 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876765246 597329173 /nfs/dbraw/zinc/32/91/73/597329173.db2.gz SGFRXVJBMOIPJM-FUHWJXTLSA-N 2 0 349.450 1.725 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876782723 597338554 /nfs/dbraw/zinc/33/85/54/597338554.db2.gz UGCCRKICNPGGGE-GOSISDBHSA-N 2 0 332.448 1.146 20 0 EDADRP CN1CCC(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)([NH+]2CCCCC2)CC1 ZINC000876784998 597339468 /nfs/dbraw/zinc/33/94/68/597339468.db2.gz NJPCQJFJUXBVIG-XLIONFOSSA-N 2 0 348.535 1.585 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000876845404 597357280 /nfs/dbraw/zinc/35/72/80/597357280.db2.gz CKNXNAWRABMXEB-ZWKOTPCHSA-N 2 0 325.412 1.698 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000876871178 597364080 /nfs/dbraw/zinc/36/40/80/597364080.db2.gz QVZAGBCLYISVCS-WDEREUQCSA-N 2 0 333.358 1.126 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000876881807 597368223 /nfs/dbraw/zinc/36/82/23/597368223.db2.gz PTPJBFTYHIGGAO-QNMZXZFYSA-N 2 0 328.460 1.574 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000876881806 597368325 /nfs/dbraw/zinc/36/83/25/597368325.db2.gz PTPJBFTYHIGGAO-JOHXTKAHSA-N 2 0 328.460 1.574 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000876925985 597387083 /nfs/dbraw/zinc/38/70/83/597387083.db2.gz IIUHHXVFUBCHIQ-CCFSXQLRSA-N 2 0 331.435 1.881 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCC[N@@H+](C)CC(C)C ZINC000876944398 597392383 /nfs/dbraw/zinc/39/23/83/597392383.db2.gz PEWVBYBZBDCVRP-MRXNPFEDSA-N 2 0 335.496 1.824 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000876964529 597399417 /nfs/dbraw/zinc/39/94/17/597399417.db2.gz IFCDMTVUYBFMMM-WUEHBLDCSA-N 2 0 331.435 1.943 20 0 EDADRP O=C(/C=C/CN1CCOCC1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000876968087 597400950 /nfs/dbraw/zinc/40/09/50/597400950.db2.gz DWBAJFWANPKJQX-WZHGYECESA-N 2 0 331.416 1.174 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000877009036 597410391 /nfs/dbraw/zinc/41/03/91/597410391.db2.gz FSEKDTUYHXQVTL-XQJUWPJRSA-N 2 0 344.459 1.328 20 0 EDADRP C[C@H]1C[C@@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875448545 597432586 /nfs/dbraw/zinc/43/25/86/597432586.db2.gz VYVIUTHFSPWCOP-MWDXBVQZSA-N 2 0 340.512 1.182 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116338 597436641 /nfs/dbraw/zinc/43/66/41/597436641.db2.gz MTNYHACKXHVSRN-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc(Cl)n1 ZINC000877146628 597442726 /nfs/dbraw/zinc/44/27/26/597442726.db2.gz WSMGISNCSWWDMC-HUUCEWRRSA-N 2 0 336.867 1.986 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[NH2+]C1 ZINC000877155380 597445118 /nfs/dbraw/zinc/44/51/18/597445118.db2.gz UAHXTCMXJXKMAM-KBPBESRZSA-N 2 0 334.468 1.101 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877236043 597473301 /nfs/dbraw/zinc/47/33/01/597473301.db2.gz UOXWBPRWWVPZTR-GBESFXJTSA-N 2 0 339.439 1.518 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC000877237876 597474033 /nfs/dbraw/zinc/47/40/33/597474033.db2.gz MXAKIZMMEBYHDL-ZSYWTGECSA-N 2 0 343.471 1.584 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000877247742 597478266 /nfs/dbraw/zinc/47/82/66/597478266.db2.gz WIQKZIHIBDQQJM-OKZBNKHCSA-N 2 0 331.460 1.521 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000877251665 597479969 /nfs/dbraw/zinc/47/99/69/597479969.db2.gz TVAOJKWCZBHVAQ-UHFFFAOYSA-N 2 0 342.487 1.184 20 0 EDADRP COCCC1(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000877268341 597484109 /nfs/dbraw/zinc/48/41/09/597484109.db2.gz AQHKUFCMUDWEHD-SFHVURJKSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@]12CN(C(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352132 597498826 /nfs/dbraw/zinc/49/88/26/597498826.db2.gz BOZKBWUBAQEFPJ-IHEQNBGGSA-N 2 0 325.456 1.717 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H]1C(F)(F)F ZINC000877358985 597500770 /nfs/dbraw/zinc/50/07/70/597500770.db2.gz FMKMBBAFNPLIIS-CABCVRRESA-N 2 0 341.377 1.584 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000877361540 597501685 /nfs/dbraw/zinc/50/16/85/597501685.db2.gz VAEHJGHTQJGBOM-XPKDYRNWSA-N 2 0 341.377 1.513 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000877370486 597503498 /nfs/dbraw/zinc/50/34/98/597503498.db2.gz BSNPVZXMGWMSOA-YUSALJHKSA-N 2 0 335.757 1.935 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000877449290 597517054 /nfs/dbraw/zinc/51/70/54/597517054.db2.gz PXELTLWLZWMKKO-KBAYOESNSA-N 2 0 337.508 1.901 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451905 597517411 /nfs/dbraw/zinc/51/74/11/597517411.db2.gz MUBQWTFISYRRHJ-CZUORRHYSA-N 2 0 345.491 1.815 20 0 EDADRP NS(=O)(=O)c1cccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c1 ZINC000877642718 597543683 /nfs/dbraw/zinc/54/36/83/597543683.db2.gz RPRBZHVXALPSIR-UHFFFAOYSA-N 2 0 337.489 1.546 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC000878118123 597579835 /nfs/dbraw/zinc/57/98/35/597579835.db2.gz GCBLMWUCKFEUBV-CYBMUJFWSA-N 2 0 337.386 1.240 20 0 EDADRP COC(=O)[C@@H](C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccccc1 ZINC000878267383 597591371 /nfs/dbraw/zinc/59/13/71/597591371.db2.gz WDHLHOPAMIMGCN-KBXCAEBGSA-N 2 0 347.459 1.337 20 0 EDADRP CC(C)n1cnnc1[C@@H]1CCCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878280889 597592260 /nfs/dbraw/zinc/59/22/60/597592260.db2.gz UUCZSEBNRQWINN-OAHLLOKOSA-N 2 0 348.495 1.249 20 0 EDADRP C[C@@H]1C[N@H+](CCCNCc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103802 597651343 /nfs/dbraw/zinc/65/13/43/597651343.db2.gz GLUYJPKNCAWLDS-CQSZACIVSA-N 2 0 338.521 1.800 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000879703345 597695420 /nfs/dbraw/zinc/69/54/20/597695420.db2.gz JCHZGXPFBBMICD-HXUWFJFHSA-N 2 0 347.503 1.659 20 0 EDADRP Cc1ccc(CNCc2cnc(N3CCN(C)CC3)nc2)c(Cl)n1 ZINC000883292179 597702667 /nfs/dbraw/zinc/70/26/67/597702667.db2.gz GDCAXBHTAFIUKL-UHFFFAOYSA-N 2 0 346.866 1.875 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000883300782 597706482 /nfs/dbraw/zinc/70/64/82/597706482.db2.gz HMGOAGIFPRKCJM-ILXRZTDVSA-N 2 0 343.537 1.699 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1CCC[NH2+]C1 ZINC000131790331 597741356 /nfs/dbraw/zinc/74/13/56/597741356.db2.gz RCPMGWPLGNOYLM-ZBFHGGJFSA-N 2 0 331.416 1.534 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000883496956 597776507 /nfs/dbraw/zinc/77/65/07/597776507.db2.gz GRLINWAUIFTQCL-MRXNPFEDSA-N 2 0 346.479 1.456 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000883560535 597803548 /nfs/dbraw/zinc/80/35/48/597803548.db2.gz GOYPIJKRRVVGDU-OAHLLOKOSA-N 2 0 334.468 1.756 20 0 EDADRP CC(C)(O)[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](C(C)(C)O)C3)COC2)C1 ZINC000880148057 597857467 /nfs/dbraw/zinc/85/74/67/597857467.db2.gz PXLSAPLZUWLYSS-HZPDHXFCSA-N 2 0 340.508 1.189 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH+]3CCC4(CC[NH+](C)CC4)CC3)C2=O)n1 ZINC000879248182 597864355 /nfs/dbraw/zinc/86/43/55/597864355.db2.gz OIVZOMQWLONNEB-INIZCTEOSA-N 2 0 345.491 1.723 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260416 597885431 /nfs/dbraw/zinc/88/54/31/597885431.db2.gz DFLGLAINXOFNKP-NVXWUHKLSA-N 2 0 335.448 1.149 20 0 EDADRP COC(=O)[C@@]1(O)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000880565202 597965689 /nfs/dbraw/zinc/96/56/89/597965689.db2.gz IZZJEEOGKSMLML-LJQANCHMSA-N 2 0 332.444 1.782 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000884023638 597971007 /nfs/dbraw/zinc/97/10/07/597971007.db2.gz RQLYIFCHCRWJGL-HZPDHXFCSA-N 2 0 331.416 1.661 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CCSC1 ZINC000884192238 598021212 /nfs/dbraw/zinc/02/12/12/598021212.db2.gz ZVXZANNRRVWZHA-QAPCUYQASA-N 2 0 347.484 1.856 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC2CC[NH+](CCOC)CC2)c1 ZINC000884199127 598025392 /nfs/dbraw/zinc/02/53/92/598025392.db2.gz PPSXCMOJAOFNID-UHFFFAOYSA-N 2 0 335.448 1.125 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000884207138 598028900 /nfs/dbraw/zinc/02/89/00/598028900.db2.gz NGQRCUMJPJFGJH-OAHLLOKOSA-N 2 0 337.489 1.846 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884208353 598029516 /nfs/dbraw/zinc/02/95/16/598029516.db2.gz XRLHNXUDXWMOFX-DJIMGWMZSA-N 2 0 343.427 1.282 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000884218244 598032561 /nfs/dbraw/zinc/03/25/61/598032561.db2.gz IZAPOBAZLVLPCC-HNNXBMFYSA-N 2 0 341.496 1.280 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884231937 598038463 /nfs/dbraw/zinc/03/84/63/598038463.db2.gz DZQVEAHBONARTQ-SJORKVTESA-N 2 0 343.475 1.190 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)cc1 ZINC000884293251 598057266 /nfs/dbraw/zinc/05/72/66/598057266.db2.gz XXOYLRNRFOJNIH-SRVKXCTJSA-N 2 0 330.201 1.265 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884390962 598090341 /nfs/dbraw/zinc/09/03/41/598090341.db2.gz MEPIIJORUNMYPS-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884424567 598101591 /nfs/dbraw/zinc/10/15/91/598101591.db2.gz AROPHMMYXIDZMN-UHFFFAOYSA-N 2 0 333.480 1.341 20 0 EDADRP C[C@@H]1Cc2c[nH]nc2[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000884463687 598112402 /nfs/dbraw/zinc/11/24/02/598112402.db2.gz PMOQBGZOTREPKE-DOMZBBRYSA-N 2 0 340.431 1.519 20 0 EDADRP C[C@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000884502857 598123484 /nfs/dbraw/zinc/12/34/84/598123484.db2.gz VASMBCDNCLDBDS-MRXNPFEDSA-N 2 0 340.512 1.201 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747092 695241696 /nfs/dbraw/zinc/24/16/96/695241696.db2.gz LMPDHCUOJRQHPF-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP O=C(N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1)C12CCC[NH+](CCC1)C2 ZINC000992726593 695242726 /nfs/dbraw/zinc/24/27/26/695242726.db2.gz IRHNPTNVXKCYKN-BBWFWOEESA-N 2 0 335.492 1.071 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000914191664 695267342 /nfs/dbraw/zinc/26/73/42/695267342.db2.gz BVGYNWGEHIRWGO-GJZGRUSLSA-N 2 0 340.537 1.740 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914219622 695283439 /nfs/dbraw/zinc/28/34/39/695283439.db2.gz YQJOUVPWDJLNEY-KLHDSHLOSA-N 2 0 338.521 1.492 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914268303 695319091 /nfs/dbraw/zinc/31/90/91/695319091.db2.gz WPUGWNLBXDYZBH-ZACQAIPSSA-N 2 0 341.521 1.218 20 0 EDADRP CC[C@H](CN1CCOCC1)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000914293980 695341127 /nfs/dbraw/zinc/34/11/27/695341127.db2.gz SHSRNBXLPULTPW-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000914316223 695353418 /nfs/dbraw/zinc/35/34/18/695353418.db2.gz MPBREKCJONWMJA-KKUMJFAQSA-N 2 0 326.510 1.350 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CC4CC4)[C@@H]3C2)CC1 ZINC000992870405 695417578 /nfs/dbraw/zinc/41/75/78/695417578.db2.gz COCUHRHDZXCBGN-UHOSZYNNSA-N 2 0 349.519 1.724 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992926706 695457653 /nfs/dbraw/zinc/45/76/53/695457653.db2.gz QFTKVMDEYLMCQC-YTQUADARSA-N 2 0 345.487 1.571 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000993759474 696352320 /nfs/dbraw/zinc/35/23/20/696352320.db2.gz LHSNJUIKJXPZCX-CRAIPNDOSA-N 2 0 347.507 1.274 20 0 EDADRP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccn(C)n1 ZINC000993926558 696446487 /nfs/dbraw/zinc/44/64/87/696446487.db2.gz JKYKSKTXDNNQKD-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCn3cccn3)[C@@H]2C)CC1 ZINC000994081792 696516567 /nfs/dbraw/zinc/51/65/67/696516567.db2.gz PVOVFCILJDNRKF-MSOLQXFVSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)o1 ZINC000940008241 700109918 /nfs/dbraw/zinc/10/99/18/700109918.db2.gz FWYBUTCKNOCCER-INIZCTEOSA-N 2 0 334.464 1.856 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000916836246 696794508 /nfs/dbraw/zinc/79/45/08/696794508.db2.gz JVHDBFMISWBUIF-OWCLPIDISA-N 2 0 340.537 1.597 20 0 EDADRP CCc1nocc1CN1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994406816 696830337 /nfs/dbraw/zinc/83/03/37/696830337.db2.gz KVRYWBOFNNWSEN-RHSMWYFYSA-N 2 0 334.464 1.802 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489180 696931307 /nfs/dbraw/zinc/93/13/07/696931307.db2.gz TXFSSSZCJNMVNY-MAUKXSAKSA-N 2 0 333.476 1.977 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000917973452 697116780 /nfs/dbraw/zinc/11/67/80/697116780.db2.gz YURQTWNYSKKIKC-KRWDZBQOSA-N 2 0 346.475 1.665 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2nsc3ccccc32)C1 ZINC001031585253 697280942 /nfs/dbraw/zinc/28/09/42/697280942.db2.gz USASMZVUSCGEGW-INIZCTEOSA-N 2 0 344.484 1.939 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)CCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000920768424 697476716 /nfs/dbraw/zinc/47/67/16/697476716.db2.gz NHNVNXZLZIQKDY-IRXDYDNUSA-N 2 0 325.497 1.868 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1)C1CCCC1 ZINC001031674660 697483399 /nfs/dbraw/zinc/48/33/99/697483399.db2.gz NRFFEUMCMHFOTH-OALUTQOASA-N 2 0 349.519 1.581 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)C1 ZINC001031675140 697484749 /nfs/dbraw/zinc/48/47/49/697484749.db2.gz WVLNVYRBCWFIGP-SJORKVTESA-N 2 0 335.492 1.191 20 0 EDADRP COc1cc(CN2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC001031682535 697502839 /nfs/dbraw/zinc/50/28/39/697502839.db2.gz OBLMLAUGZJDGHK-BXUZGUMPSA-N 2 0 338.477 1.040 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1C ZINC001031681573 697505114 /nfs/dbraw/zinc/50/51/14/697505114.db2.gz YUIIJTBHVVXAGT-CRAIPNDOSA-N 2 0 345.487 1.892 20 0 EDADRP Cc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC001031688862 697527538 /nfs/dbraw/zinc/52/75/38/697527538.db2.gz MUDSRSFJVITTLL-RBUKOAKNSA-N 2 0 343.471 1.406 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434949 697611139 /nfs/dbraw/zinc/61/11/39/697611139.db2.gz RNCIQICONSTIKP-FZMZJTMJSA-N 2 0 337.493 1.487 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031713748 697735558 /nfs/dbraw/zinc/73/55/58/697735558.db2.gz DXRXGQRPSQAGSC-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766086 699055527 /nfs/dbraw/zinc/05/55/27/699055527.db2.gz AXLZGGZRSZAYJU-ZWKOTPCHSA-N 2 0 345.491 1.028 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766704 699065247 /nfs/dbraw/zinc/06/52/47/699065247.db2.gz MBQOXOVFFAVBLT-WBVHZDCISA-N 2 0 348.516 1.751 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001031772446 699099053 /nfs/dbraw/zinc/09/90/53/699099053.db2.gz UUKIELYEBISAMH-QZTJIDSGSA-N 2 0 349.450 1.391 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939054989 699115794 /nfs/dbraw/zinc/11/57/94/699115794.db2.gz RWIOYXXUBPWBJE-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939055499 699116476 /nfs/dbraw/zinc/11/64/76/699116476.db2.gz ZMURZYDGPGBBQT-DYVFJYSZSA-N 2 0 334.439 1.499 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939133479 699218195 /nfs/dbraw/zinc/21/81/95/699218195.db2.gz RNNAHWCOLMOTJP-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939136871 699223346 /nfs/dbraw/zinc/22/33/46/699223346.db2.gz CPIVSBITQCPKJT-NVXWUHKLSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001031806853 699414884 /nfs/dbraw/zinc/41/48/84/699414884.db2.gz RCRDSHHCYYTPNG-SFHVURJKSA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccnn2C)C1 ZINC001031806715 699432422 /nfs/dbraw/zinc/43/24/22/699432422.db2.gz MAXKFQQXUDHCMP-SFHVURJKSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939256867 699434085 /nfs/dbraw/zinc/43/40/85/699434085.db2.gz FTSNBPDRQNAVPX-YOEHRIQHSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939257085 699434227 /nfs/dbraw/zinc/43/42/27/699434227.db2.gz JFQSHHGXKDQPTQ-KDOFPFPSSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939257370 699434614 /nfs/dbraw/zinc/43/46/14/699434614.db2.gz LYWRPKIZMPUWLR-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)nn1C ZINC000939257333 699434745 /nfs/dbraw/zinc/43/47/45/699434745.db2.gz LRROWZMVNSXJGZ-KDOFPFPSSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939258962 699436453 /nfs/dbraw/zinc/43/64/53/699436453.db2.gz SSZCYPLZOSSYIA-CXAGYDPISA-N 2 0 334.464 1.651 20 0 EDADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941604365 701593765 /nfs/dbraw/zinc/59/37/65/701593765.db2.gz XQIAFVKPDKASSQ-MJGOQNOKSA-N 2 0 346.519 1.242 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CC3)C2)n1 ZINC000994942203 699552819 /nfs/dbraw/zinc/55/28/19/699552819.db2.gz ZPUFIXHSGIYAAY-HOTGVXAUSA-N 2 0 333.480 1.343 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC000939454371 699601034 /nfs/dbraw/zinc/60/10/34/699601034.db2.gz RJAXGFIXRDFHRA-MAUKXSAKSA-N 2 0 347.507 1.477 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@@](C)(c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941633992 701601243 /nfs/dbraw/zinc/60/12/43/701601243.db2.gz AYTHYPBYENGPHK-HXUWFJFHSA-N 2 0 344.503 1.312 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164606 701603565 /nfs/dbraw/zinc/60/35/65/701603565.db2.gz AXQWDCRQARDEQG-WMZOPIPTSA-N 2 0 342.487 1.860 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939544734 699686591 /nfs/dbraw/zinc/68/65/91/699686591.db2.gz LUWUJXQZFRHMAY-GUYCJALGSA-N 2 0 349.425 1.997 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC000939545691 699687863 /nfs/dbraw/zinc/68/78/63/699687863.db2.gz OMYJTWAXYKIDPZ-IUODEOHRSA-N 2 0 348.516 1.792 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939547155 699689124 /nfs/dbraw/zinc/68/91/24/699689124.db2.gz WFLZFEJGBBGIFM-MLGOLLRUSA-N 2 0 348.516 1.792 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941676622 701615527 /nfs/dbraw/zinc/61/55/27/701615527.db2.gz BGCOYAQVWREPQB-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)s1 ZINC000939754632 699904866 /nfs/dbraw/zinc/90/48/66/699904866.db2.gz NUGMVBPQMCJBTF-SWLSCSKDSA-N 2 0 336.505 1.792 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666260 701620698 /nfs/dbraw/zinc/62/06/98/701620698.db2.gz SBZAIMOPCMLLGJ-QGZVFWFLSA-N 2 0 348.535 1.203 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939809774 699958127 /nfs/dbraw/zinc/95/81/27/699958127.db2.gz JLGSFDVZHARVNR-RDJZCZTQSA-N 2 0 333.480 1.233 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940143379 700271631 /nfs/dbraw/zinc/27/16/31/700271631.db2.gz USVDJYFEHDXBIH-HNNXBMFYSA-N 2 0 349.479 1.723 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1 ZINC000995166636 701627111 /nfs/dbraw/zinc/62/71/11/701627111.db2.gz GLSBHPPSULSXFW-CVEARBPZSA-N 2 0 343.475 1.255 20 0 EDADRP Cn1nncc1C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000940159887 700292646 /nfs/dbraw/zinc/29/26/46/700292646.db2.gz ZZCPJAUTEOPQNT-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940179021 700312968 /nfs/dbraw/zinc/31/29/68/700312968.db2.gz PNHPPJRRNVPMTD-MRXNPFEDSA-N 2 0 333.480 1.375 20 0 EDADRP Cn1nncc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000940247888 700412638 /nfs/dbraw/zinc/41/26/38/700412638.db2.gz QXNNLCGEHUBEGE-UHFFFAOYSA-N 2 0 348.495 1.160 20 0 EDADRP Cn1nccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995058314 700439444 /nfs/dbraw/zinc/43/94/44/700439444.db2.gz XFLWLHLBNLPCOG-HOTGVXAUSA-N 2 0 347.507 1.669 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327422 700504200 /nfs/dbraw/zinc/50/42/00/700504200.db2.gz BBRKDYBISQGSSU-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940327779 700505033 /nfs/dbraw/zinc/50/50/33/700505033.db2.gz UAZNFJRCYATOPE-CHWSQXEVSA-N 2 0 337.493 1.207 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1 ZINC000940328422 700507097 /nfs/dbraw/zinc/50/70/97/700507097.db2.gz JUFHQYMOQWRQRP-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC000940329765 700509355 /nfs/dbraw/zinc/50/93/55/700509355.db2.gz YPPDEKCFYSHCPB-UHFFFAOYSA-N 2 0 349.479 1.581 20 0 EDADRP Cc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169832 701651334 /nfs/dbraw/zinc/65/13/34/701651334.db2.gz UVUODPVRTYAYAU-GDBMZVCRSA-N 2 0 332.448 1.453 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000940425997 700619177 /nfs/dbraw/zinc/61/91/77/700619177.db2.gz BFDDYBAFCWCMDZ-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000940426220 700619773 /nfs/dbraw/zinc/61/97/73/700619773.db2.gz KLCRSNSKFCCREG-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940426253 700620029 /nfs/dbraw/zinc/62/00/29/700620029.db2.gz LZOLROUBSHFKRA-INIZCTEOSA-N 2 0 330.476 1.894 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)C1 ZINC000940426257 700620047 /nfs/dbraw/zinc/62/00/47/700620047.db2.gz MAJVSCHZPCGIFI-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426473 700620092 /nfs/dbraw/zinc/62/00/92/700620092.db2.gz RYXDGRUPNMTWQB-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000940462038 700665643 /nfs/dbraw/zinc/66/56/43/700665643.db2.gz XVQCYIOZZOFVHN-OAHLLOKOSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1oncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082013 700700533 /nfs/dbraw/zinc/70/05/33/700700533.db2.gz WXQXTNDMGPSJLH-RHSMWYFYSA-N 2 0 334.464 1.699 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2csnn2)C1)C12CC[NH+](CC1)C2 ZINC000995170153 701676415 /nfs/dbraw/zinc/67/64/15/701676415.db2.gz WGCOUXUXQLFCRN-CHWSQXEVSA-N 2 0 335.477 1.008 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867612 700948563 /nfs/dbraw/zinc/94/85/63/700948563.db2.gz GAIDYDMZBINYJW-CZUORRHYSA-N 2 0 330.432 1.545 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001031916620 701006956 /nfs/dbraw/zinc/00/69/56/701006956.db2.gz CLCQNKRQHOJXQK-AEFFLSMTSA-N 2 0 337.508 1.583 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941002351 701035989 /nfs/dbraw/zinc/03/59/89/701035989.db2.gz HRLMQNLBGNVIEN-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941137701 701196960 /nfs/dbraw/zinc/19/69/60/701196960.db2.gz CLGRWEGBYWOBTF-QGZVFWFLSA-N 2 0 339.524 1.706 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1)OC ZINC000941167067 701378076 /nfs/dbraw/zinc/37/80/76/701378076.db2.gz QANBRQRQQNOSGC-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170821 706600376 /nfs/dbraw/zinc/60/03/76/706600376.db2.gz SRNLBXLRBJKGIX-NVXWUHKLSA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941438506 701540886 /nfs/dbraw/zinc/54/08/86/701540886.db2.gz ZRNHYHLZBIOHSO-SFHVURJKSA-N 2 0 336.524 1.201 20 0 EDADRP O=C(NCC1C[NH+](CC2CCC(F)(F)CC2)C1)C12CC[NH+](CC1)C2 ZINC001032129968 701830684 /nfs/dbraw/zinc/83/06/84/701830684.db2.gz BZKIZSSDGGQYLF-UHFFFAOYSA-N 2 0 341.446 1.956 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001032204799 702001421 /nfs/dbraw/zinc/00/14/21/702001421.db2.gz FPNSWIDVHDIWNB-UHFFFAOYSA-N 2 0 341.459 1.307 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191297 706633926 /nfs/dbraw/zinc/63/39/26/706633926.db2.gz XEROIDKULGHWLU-KBAYOESNSA-N 2 0 330.476 1.811 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825118 702096224 /nfs/dbraw/zinc/09/62/24/702096224.db2.gz QUNBILUMLNXJQO-SJORKVTESA-N 2 0 345.491 1.089 20 0 EDADRP CC(C)Oc1ccccc1CN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032183023 702153676 /nfs/dbraw/zinc/15/36/76/702153676.db2.gz XSLZGMBSYLVLGV-SFHVURJKSA-N 2 0 345.487 1.974 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894836 702197420 /nfs/dbraw/zinc/19/74/20/702197420.db2.gz KXURGRGUARTIQX-DOTOQJQBSA-N 2 0 347.507 1.570 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)n1 ZINC000995896558 702200523 /nfs/dbraw/zinc/20/05/23/702200523.db2.gz OKBCYQVFODELDF-HNNXBMFYSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899631 702205580 /nfs/dbraw/zinc/20/55/80/702205580.db2.gz XAERYAWAJYPXRV-CVEARBPZSA-N 2 0 334.464 1.650 20 0 EDADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995918649 702237574 /nfs/dbraw/zinc/23/75/74/702237574.db2.gz XRYSRZSOQMVNLB-GDBMZVCRSA-N 2 0 348.495 1.016 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1)[NH+](C)C ZINC000995921775 702244584 /nfs/dbraw/zinc/24/45/84/702244584.db2.gz CBCRUSAAQSWYBC-HOCLYGCPSA-N 2 0 335.496 1.333 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001032186899 702287968 /nfs/dbraw/zinc/28/79/68/702287968.db2.gz ZBWFECLUHPCNMR-MAUKXSAKSA-N 2 0 331.435 1.813 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCC3(F)F)C2)C1 ZINC001032186425 702325334 /nfs/dbraw/zinc/32/53/34/702325334.db2.gz QBYPHXSOZPNUQS-GJZGRUSLSA-N 2 0 329.435 1.812 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995972648 702356767 /nfs/dbraw/zinc/35/67/67/702356767.db2.gz DXMDMLFHVRFPLP-CVEARBPZSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944167354 702405903 /nfs/dbraw/zinc/40/59/03/702405903.db2.gz DBJPZQFUOKLOIO-YOEHRIQHSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(C)o1 ZINC000995209710 702676161 /nfs/dbraw/zinc/67/61/61/702676161.db2.gz LAVPLEWTRCAESQ-JKSUJKDBSA-N 2 0 334.464 1.762 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300209 702691573 /nfs/dbraw/zinc/69/15/73/702691573.db2.gz KHWJJHNMXAWGRP-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256821 702748152 /nfs/dbraw/zinc/74/81/52/702748152.db2.gz HNYDTYILRGPCIX-NVXWUHKLSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996476805 702808609 /nfs/dbraw/zinc/80/86/09/702808609.db2.gz HMLURSKLUQGUIA-MAUKXSAKSA-N 2 0 346.475 1.938 20 0 EDADRP C[NH+](C)[C@@](C)(C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)c1ccccc1 ZINC000996503659 702825443 /nfs/dbraw/zinc/82/54/43/702825443.db2.gz BABSNVAIVMPTFJ-VQIMIIECSA-N 2 0 333.476 1.282 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996520571 702856112 /nfs/dbraw/zinc/85/61/12/702856112.db2.gz SQXFQWVTWXHKIT-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607589 702910629 /nfs/dbraw/zinc/91/06/29/702910629.db2.gz CUVVJKGOBIIJAW-GDBMZVCRSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)n1 ZINC000996608072 702911124 /nfs/dbraw/zinc/91/11/24/702911124.db2.gz FQIMDWRFZJRZES-ROUUACIJSA-N 2 0 344.503 1.977 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615650 702922938 /nfs/dbraw/zinc/92/29/38/702922938.db2.gz QDNUUEYDMLIQMR-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)C1 ZINC000996617726 702924588 /nfs/dbraw/zinc/92/45/88/702924588.db2.gz VUOGFFUKQTYVCU-WMLDXEAASA-N 2 0 345.491 1.108 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996663626 702961537 /nfs/dbraw/zinc/96/15/37/702961537.db2.gz HXTJMGOIUWFDHM-HNNXBMFYSA-N 2 0 345.491 1.911 20 0 EDADRP COCc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001032313698 702966132 /nfs/dbraw/zinc/96/61/32/702966132.db2.gz OGBSBRXWBHCXOI-FHWLQOOXSA-N 2 0 343.471 1.712 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669520 702970867 /nfs/dbraw/zinc/97/08/67/702970867.db2.gz GPIVLIUXCZONJY-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996669802 702971325 /nfs/dbraw/zinc/97/13/25/702971325.db2.gz IAKQUUSAFXLGNB-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996677558 702976640 /nfs/dbraw/zinc/97/66/40/702976640.db2.gz LANFGFPVJNXCPO-QGZVFWFLSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996689325 702986730 /nfs/dbraw/zinc/98/67/30/702986730.db2.gz MCCWOQRTPOVRFG-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)c1nncn1C ZINC000996691025 702988410 /nfs/dbraw/zinc/98/84/10/702988410.db2.gz RMWROYTYZUVFBQ-HOCLYGCPSA-N 2 0 348.495 1.331 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)cn1 ZINC000996711099 703005705 /nfs/dbraw/zinc/00/57/05/703005705.db2.gz JRXMFAKADQUMAY-ROUUACIJSA-N 2 0 345.491 1.518 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cn1 ZINC000996711095 703005925 /nfs/dbraw/zinc/00/59/25/703005925.db2.gz JRXMFAKADQUMAY-MSOLQXFVSA-N 2 0 345.491 1.518 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]CCc2cnn(CC)c2)CC1)[NH+](C)C ZINC000996711665 703006370 /nfs/dbraw/zinc/00/63/70/703006370.db2.gz KEPGERWVSJXPHD-QGZVFWFLSA-N 2 0 335.496 1.366 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)n1 ZINC000996716079 703014755 /nfs/dbraw/zinc/01/47/55/703014755.db2.gz IEDXHKMXPITICS-ZWKOTPCHSA-N 2 0 345.491 1.518 20 0 EDADRP O=C(N1CCC([NH2+]CC[C@@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996729862 703026722 /nfs/dbraw/zinc/02/67/22/703026722.db2.gz SJCMRHRWSDESNF-QGZVFWFLSA-N 2 0 349.519 1.870 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996730405 703027226 /nfs/dbraw/zinc/02/72/26/703027226.db2.gz SFUQGLHSRPMHLP-KRWDZBQOSA-N 2 0 334.439 1.786 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996765281 703061001 /nfs/dbraw/zinc/06/10/01/703061001.db2.gz UUCQPYANGSCWLP-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000948473342 703138460 /nfs/dbraw/zinc/13/84/60/703138460.db2.gz DAXKBSAODGCFFJ-SJORKVTESA-N 2 0 337.508 1.556 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]Cc2ncccn2)CC1)[NH+]1CCCC1 ZINC000996868484 703141234 /nfs/dbraw/zinc/14/12/34/703141234.db2.gz UFRKTECXTBDNTJ-UHFFFAOYSA-N 2 0 331.464 1.432 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC000996923276 703194112 /nfs/dbraw/zinc/19/41/12/703194112.db2.gz RXSCGCRACJBJOJ-ULQDDVLXSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718132 703232084 /nfs/dbraw/zinc/23/20/84/703232084.db2.gz BVGQVHCEERDKRW-VQIMIIECSA-N 2 0 347.503 1.613 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000997005379 703262856 /nfs/dbraw/zinc/26/28/56/703262856.db2.gz DJAVKWROWFSQMV-MLGOLLRUSA-N 2 0 334.464 1.570 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC000997008381 703266083 /nfs/dbraw/zinc/26/60/83/703266083.db2.gz LTHUEINQIXLYOE-LRDDRELGSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC000997115362 703369145 /nfs/dbraw/zinc/36/91/45/703369145.db2.gz MGVUVWCGWSBUCU-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997115714 703369774 /nfs/dbraw/zinc/36/97/74/703369774.db2.gz QEUMKPQOUDPAKS-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032405502 703428682 /nfs/dbraw/zinc/42/86/82/703428682.db2.gz GNIHEYHXWXSYQQ-XYJFISCASA-N 2 0 345.512 1.918 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997170622 703452510 /nfs/dbraw/zinc/45/25/10/703452510.db2.gz MHRMOFIFQPDXDW-HZPDHXFCSA-N 2 0 337.508 1.460 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997180316 703470555 /nfs/dbraw/zinc/47/05/55/703470555.db2.gz OTZOQQJLGPUHAF-WMZOPIPTSA-N 2 0 347.507 1.584 20 0 EDADRP O=C(N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC000997189965 703472077 /nfs/dbraw/zinc/47/20/77/703472077.db2.gz VKICGWSDHMDFIX-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP O=C(N1CCC([NH2+]CCC2CCOCC2)CC1)C12CC[NH+](CC1)C2 ZINC000997185849 703474817 /nfs/dbraw/zinc/47/48/17/703474817.db2.gz GAOYVYXDUXJKPR-UHFFFAOYSA-N 2 0 335.492 1.480 20 0 EDADRP C[C@@H](NC(=O)c1occc1C[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC000997280172 703545732 /nfs/dbraw/zinc/54/57/32/703545732.db2.gz OZETWOZSLWSRJX-CQSZACIVSA-N 2 0 337.464 1.554 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC000997298390 703556456 /nfs/dbraw/zinc/55/64/56/703556456.db2.gz IUQWRSDUPYBMGL-CQSZACIVSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1nccn1CC(=O)N1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000997310223 703567202 /nfs/dbraw/zinc/56/72/02/703567202.db2.gz PCDFMFWGQFOZDO-ZBFHGGJFSA-N 2 0 334.464 1.587 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997365415 703599211 /nfs/dbraw/zinc/59/92/11/703599211.db2.gz UQQXYDSERLSEHX-INIZCTEOSA-N 2 0 331.464 1.432 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000997366354 703600201 /nfs/dbraw/zinc/60/02/01/703600201.db2.gz DBTPZGIAHXHGLV-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1)[NH+](C)C ZINC001032459470 703639313 /nfs/dbraw/zinc/63/93/13/703639313.db2.gz DNPWCBLFHGPLFV-BZSNNMDCSA-N 2 0 337.508 1.674 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000997389865 703657625 /nfs/dbraw/zinc/65/76/25/703657625.db2.gz KXIOWVAAUHZNOP-SJORKVTESA-N 2 0 349.519 1.726 20 0 EDADRP CCc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997420401 703670238 /nfs/dbraw/zinc/67/02/38/703670238.db2.gz INLLGOVQYOFVMX-GDBMZVCRSA-N 2 0 348.491 1.905 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997517257 703767256 /nfs/dbraw/zinc/76/72/56/703767256.db2.gz YBGZKKGZPHWKSV-YJBOKZPZSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997614422 703914027 /nfs/dbraw/zinc/91/40/27/703914027.db2.gz QRUPARRXBKZFFE-IUODEOHRSA-N 2 0 335.452 1.361 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CCO)CC1 ZINC000997617057 703918486 /nfs/dbraw/zinc/91/84/86/703918486.db2.gz AMPJZIBIEYHDPU-MAUKXSAKSA-N 2 0 337.508 1.602 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997636467 703938408 /nfs/dbraw/zinc/93/84/08/703938408.db2.gz OUHFREYNQRWWDZ-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995552380 703959506 /nfs/dbraw/zinc/95/95/06/703959506.db2.gz QPNFEUVPQSUCNZ-HOTGVXAUSA-N 2 0 333.480 1.324 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653390 703969390 /nfs/dbraw/zinc/96/93/90/703969390.db2.gz KNAIOZCTNGJTKJ-FUHWJXTLSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997653860 703971603 /nfs/dbraw/zinc/97/16/03/703971603.db2.gz SKTHUUUPOQKDOY-WMZOPIPTSA-N 2 0 339.524 1.706 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033082578 704139556 /nfs/dbraw/zinc/13/95/56/704139556.db2.gz SALNXXNBHNBWAS-SJORKVTESA-N 2 0 346.475 1.666 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC001033096985 704186119 /nfs/dbraw/zinc/18/61/19/704186119.db2.gz SKBIDESHCXHNDX-OKZBNKHCSA-N 2 0 347.507 1.492 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946592350 704242633 /nfs/dbraw/zinc/24/26/33/704242633.db2.gz IPXJGAVVBXRAFI-KSZLIROESA-N 2 0 337.483 1.858 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004459758 704453519 /nfs/dbraw/zinc/45/35/19/704453519.db2.gz WNJVFLNWADGJOX-DOTOQJQBSA-N 2 0 337.508 1.555 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)CC[N@@H+]1C ZINC000997784935 704688647 /nfs/dbraw/zinc/68/86/47/704688647.db2.gz FSRJHTGZXYPHQJ-RHSMWYFYSA-N 2 0 333.480 1.089 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000997793555 704706439 /nfs/dbraw/zinc/70/64/39/704706439.db2.gz QRVSQJWQEKXQGZ-OKZBNKHCSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000997823326 704744954 /nfs/dbraw/zinc/74/49/54/704744954.db2.gz LEFLEMDBOZJKLJ-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000997831432 704751489 /nfs/dbraw/zinc/75/14/89/704751489.db2.gz RTQOIXGRWCRKEX-KDOFPFPSSA-N 2 0 345.491 1.706 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000997843872 704759435 /nfs/dbraw/zinc/75/94/35/704759435.db2.gz JPXHQZKSTGQJIQ-YJBOKZPZSA-N 2 0 347.507 1.952 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(OC)nn2)CC1)[NH+](C)C ZINC000997855538 704764271 /nfs/dbraw/zinc/76/42/71/704764271.db2.gz MXSNGMCTJQHFJS-MRXNPFEDSA-N 2 0 349.479 1.154 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000997864480 704770983 /nfs/dbraw/zinc/77/09/83/704770983.db2.gz JPNRIOHLBLMFAF-KRWDZBQOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997866599 704773411 /nfs/dbraw/zinc/77/34/11/704773411.db2.gz LUPKIVLMYAFQJG-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CC[NH+](CC3CC4(CCC4)C3)CC2)CC1 ZINC000952446761 704774238 /nfs/dbraw/zinc/77/42/38/704774238.db2.gz DEDJYYWECXOLOE-UHFFFAOYSA-N 2 0 349.519 1.822 20 0 EDADRP O=C(N1CCC(C[NH2+]CC2CCOCC2)CC1)C12CCC[NH+]1CCC2 ZINC000997887554 704789732 /nfs/dbraw/zinc/78/97/32/704789732.db2.gz AOQWGGJFQYNNJT-UHFFFAOYSA-N 2 0 349.519 1.870 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998030963 705220739 /nfs/dbraw/zinc/22/07/39/705220739.db2.gz IJFJTDKNSRGOMK-UHFFFAOYSA-N 2 0 348.491 1.907 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000998045934 705241820 /nfs/dbraw/zinc/24/18/20/705241820.db2.gz GXRVGRCIMCVCAT-OAHLLOKOSA-N 2 0 339.509 1.453 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CCC[N@H+](CC)CC1 ZINC000998067458 705280187 /nfs/dbraw/zinc/28/01/87/705280187.db2.gz USFRAZVFILKJHB-VZDIDWBNSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998076623 705296359 /nfs/dbraw/zinc/29/63/59/705296359.db2.gz BDTAQEDNULZBET-CZUORRHYSA-N 2 0 336.505 1.669 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998080207 705304385 /nfs/dbraw/zinc/30/43/85/705304385.db2.gz YQBRDFZUBXQTDZ-IUODEOHRSA-N 2 0 337.493 1.064 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998082483 705309342 /nfs/dbraw/zinc/30/93/42/705309342.db2.gz PUEFBNVOKVIELY-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000998083084 705311832 /nfs/dbraw/zinc/31/18/32/705311832.db2.gz UPEQUDBMXMOHKN-ZIAGYGMSSA-N 2 0 348.495 1.487 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H](O)C2CCCCC2)CC1 ZINC001032603044 705421838 /nfs/dbraw/zinc/42/18/38/705421838.db2.gz MNGUGYIBMKQHTH-GBESFXJTSA-N 2 0 349.519 1.555 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@@H+]([C@@H](C)COC)CC1 ZINC000998177695 705468300 /nfs/dbraw/zinc/46/83/00/705468300.db2.gz UTVGVHKMYOFASK-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998216765 705538522 /nfs/dbraw/zinc/53/85/22/705538522.db2.gz KNOQGRXGLXJWKN-QGZVFWFLSA-N 2 0 348.491 1.961 20 0 EDADRP CCc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998265948 705637245 /nfs/dbraw/zinc/63/72/45/705637245.db2.gz NHEJKACZQRZMFN-UKRRQHHQSA-N 2 0 349.479 1.473 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000998268562 705644512 /nfs/dbraw/zinc/64/45/12/705644512.db2.gz HJHBVBBHZQEEBC-PKOBYXMFSA-N 2 0 335.492 1.337 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000998269320 705652075 /nfs/dbraw/zinc/65/20/75/705652075.db2.gz MIAFERAHANLVIQ-UHFFFAOYSA-N 2 0 336.505 1.876 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2CN3Cc2ccccn2)C1 ZINC001032626081 705722914 /nfs/dbraw/zinc/72/29/14/705722914.db2.gz XHBOIUJJQGGZOK-IRXDYDNUSA-N 2 0 328.460 1.599 20 0 EDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629597 705752509 /nfs/dbraw/zinc/75/25/09/705752509.db2.gz FNPSLSJGCYFNSW-MNEFBYGVSA-N 2 0 345.487 1.724 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H](O)C1CCCCC1)[NH+](C)C ZINC001032634667 705906806 /nfs/dbraw/zinc/90/68/06/705906806.db2.gz QEFAMVRMRGHMLW-XSLAGTTESA-N 2 0 337.508 1.553 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998719022 706151022 /nfs/dbraw/zinc/15/10/22/706151022.db2.gz DVXKZYFIKRVOSL-QZTJIDSGSA-N 2 0 331.460 1.354 20 0 EDADRP COc1nscc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998730900 706163158 /nfs/dbraw/zinc/16/31/58/706163158.db2.gz LSTZKLJNHNJGSP-ZIAGYGMSSA-N 2 0 338.477 1.327 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)cn1 ZINC000998763844 706198315 /nfs/dbraw/zinc/19/83/15/706198315.db2.gz PMUFWKIBQYCTJY-VJFUWPCTSA-N 2 0 345.491 1.737 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000998868391 706298233 /nfs/dbraw/zinc/29/82/33/706298233.db2.gz XHDDTQXEQIJHFK-VJFUWPCTSA-N 2 0 345.491 1.738 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000998900868 706337727 /nfs/dbraw/zinc/33/77/27/706337727.db2.gz IBKLJIJLXLAGNA-AQFXKWCLSA-N 2 0 348.495 1.120 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC000998994048 706411190 /nfs/dbraw/zinc/41/11/90/706411190.db2.gz JQUYPDYLIYNVQA-PREGVCBESA-N 2 0 331.464 1.348 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]CCn2cccn2)C1 ZINC000998988027 706420168 /nfs/dbraw/zinc/42/01/68/706420168.db2.gz QXVJBMGYRALHCK-UHFFFAOYSA-N 2 0 345.491 1.338 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2cnn(C)n2)C1 ZINC000999036242 706450848 /nfs/dbraw/zinc/45/08/48/706450848.db2.gz QJYNRPRXMXQEJJ-PREGVCBESA-N 2 0 348.495 1.015 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999032537 706469452 /nfs/dbraw/zinc/46/94/52/706469452.db2.gz GJBXVUYVVBYURU-OFLPRAFFSA-N 2 0 347.507 1.620 20 0 EDADRP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)no1 ZINC000946517841 706554440 /nfs/dbraw/zinc/55/44/40/706554440.db2.gz JKNKGXUFCPDMQW-JZXOWHBKSA-N 2 0 346.475 1.748 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000999318346 706826527 /nfs/dbraw/zinc/82/65/27/706826527.db2.gz ROPPMGIFNCXRKM-MRXNPFEDSA-N 2 0 330.436 1.165 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999341532 706853495 /nfs/dbraw/zinc/85/34/95/706853495.db2.gz HELLWILCVMYTRR-UHFFFAOYSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999341750 706853641 /nfs/dbraw/zinc/85/36/41/706853641.db2.gz IMTONUITTHCIFM-UHFFFAOYSA-N 2 0 333.480 1.149 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999373606 706867857 /nfs/dbraw/zinc/86/78/57/706867857.db2.gz QUWOQPDZSRVYRW-ROUUACIJSA-N 2 0 347.507 1.366 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362323 706875765 /nfs/dbraw/zinc/87/57/65/706875765.db2.gz AKJUVMAXAUJBIH-YJBOKZPZSA-N 2 0 348.491 1.966 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362243 706875771 /nfs/dbraw/zinc/87/57/71/706875771.db2.gz AJABAFSBNZXSBT-FUHWJXTLSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)o1 ZINC000999363120 706877057 /nfs/dbraw/zinc/87/70/57/706877057.db2.gz FZHBZLHUEQGRTK-HNNXBMFYSA-N 2 0 334.464 1.856 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2nccs2)C1 ZINC000999402926 706911486 /nfs/dbraw/zinc/91/14/86/706911486.db2.gz LMRAJOURNFKSJK-UHFFFAOYSA-N 2 0 336.505 1.954 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999403859 706912702 /nfs/dbraw/zinc/91/27/02/706912702.db2.gz XVGWGNLRUYPWPN-IRXDYDNUSA-N 2 0 333.480 1.338 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437660 706944696 /nfs/dbraw/zinc/94/46/96/706944696.db2.gz YQUNECCTBQPXNG-WBVHZDCISA-N 2 0 335.496 1.570 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999510029 707008175 /nfs/dbraw/zinc/00/81/75/707008175.db2.gz TZMDDENZANBRMF-UHFFFAOYSA-N 2 0 347.507 1.714 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC[C@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999596806 707099721 /nfs/dbraw/zinc/09/97/21/707099721.db2.gz MPNCCBYACHLLQA-IAGOWNOFSA-N 2 0 335.492 1.765 20 0 EDADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1)c1cnccn1 ZINC000999597698 707100373 /nfs/dbraw/zinc/10/03/73/707100373.db2.gz HAMKLRMCJCTOPJ-GTPINHCMSA-N 2 0 345.491 1.849 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999618370 707137756 /nfs/dbraw/zinc/13/77/56/707137756.db2.gz FZUFNMRKBFDGSW-HNNXBMFYSA-N 2 0 338.415 1.462 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999689321 707245332 /nfs/dbraw/zinc/24/53/32/707245332.db2.gz RNEPXCDIVBEHTF-FHERZECASA-N 2 0 348.491 1.966 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999795202 707366838 /nfs/dbraw/zinc/36/68/38/707366838.db2.gz YKVTXJFBQBYEPA-ROUUACIJSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033295915 707405259 /nfs/dbraw/zinc/40/52/59/707405259.db2.gz OSWDPSBSRCNHSD-MOPGFXCFSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC000999828202 707456499 /nfs/dbraw/zinc/45/64/99/707456499.db2.gz FABOEUNDXMKGEI-JEYLPNPQSA-N 2 0 336.505 1.525 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999829528 707458293 /nfs/dbraw/zinc/45/82/93/707458293.db2.gz IWORZZPPRHGWEC-NFOMZHRRSA-N 2 0 332.448 1.583 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033358894 707684208 /nfs/dbraw/zinc/68/42/08/707684208.db2.gz RGHSQCNXBDUUNZ-XYJFISCASA-N 2 0 347.507 1.226 20 0 EDADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004931346 707693624 /nfs/dbraw/zinc/69/36/24/707693624.db2.gz WOVNXZWRXKFCMB-RHSMWYFYSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033415935 707793142 /nfs/dbraw/zinc/79/31/42/707793142.db2.gz MSBRJHONTPFKBZ-GDBMZVCRSA-N 2 0 349.479 1.328 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCc3ccns3)C2)C1 ZINC001033421481 707835087 /nfs/dbraw/zinc/83/50/87/707835087.db2.gz YEMRCQPDLHNWHP-HUUCEWRRSA-N 2 0 336.505 1.560 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033421720 707835793 /nfs/dbraw/zinc/83/57/93/707835793.db2.gz GUNBNBHHBAJZTL-SFHVURJKSA-N 2 0 333.476 1.583 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033225448 707853676 /nfs/dbraw/zinc/85/36/76/707853676.db2.gz HDOGONOZRYPUHS-IAGOWNOFSA-N 2 0 335.492 1.717 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033474619 707964076 /nfs/dbraw/zinc/96/40/76/707964076.db2.gz ITPCROWPRYGKHT-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CCc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032780973 707966105 /nfs/dbraw/zinc/96/61/05/707966105.db2.gz FQHFRNAVAHDUHH-QYZOEREBSA-N 2 0 327.472 1.986 20 0 EDADRP COCc1ccc(C[NH2+][C@@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)cc1 ZINC001000325094 707983002 /nfs/dbraw/zinc/98/30/02/707983002.db2.gz QURDZLKSOIUYFT-QGZVFWFLSA-N 2 0 342.443 1.879 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033591325 708288936 /nfs/dbraw/zinc/28/89/36/708288936.db2.gz AOALIKDZWPIYHC-SFHVURJKSA-N 2 0 349.519 1.822 20 0 EDADRP CCc1nocc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795734 708310293 /nfs/dbraw/zinc/31/02/93/708310293.db2.gz WTVOWHQSSFOULW-UHFFFAOYSA-N 2 0 348.491 1.907 20 0 EDADRP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001001823440 708325268 /nfs/dbraw/zinc/32/52/68/708325268.db2.gz WKLOKVQGKOQRLW-DZGCQCFKSA-N 2 0 334.464 1.693 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(CNC(=O)[C@@H]2CCCc3nc[nH]c32)CC1 ZINC001001823442 708325337 /nfs/dbraw/zinc/32/53/37/708325337.db2.gz WKLOKVQGKOQRLW-UKRRQHHQSA-N 2 0 334.464 1.693 20 0 EDADRP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001001824446 708326927 /nfs/dbraw/zinc/32/69/27/708326927.db2.gz HIVJQQCWTUGINJ-KDOFPFPSSA-N 2 0 345.491 1.311 20 0 EDADRP CCc1cnc(CN2CCC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001001832783 708358319 /nfs/dbraw/zinc/35/83/19/708358319.db2.gz HPLKBYHQSJQVHX-PBHICJAKSA-N 2 0 348.491 1.763 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2CC[NH+](CCCO)CC2)cc1 ZINC001001943463 708441825 /nfs/dbraw/zinc/44/18/25/708441825.db2.gz SKWRDUMDIUVRHQ-UHFFFAOYSA-N 2 0 333.476 1.572 20 0 EDADRP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665811 708449729 /nfs/dbraw/zinc/44/97/29/708449729.db2.gz RRKIDQSSRBYWTP-CABCVRRESA-N 2 0 336.505 1.744 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033826713 708820813 /nfs/dbraw/zinc/82/08/13/708820813.db2.gz UABONEGLRRLMSQ-IAGOWNOFSA-N 2 0 348.495 1.074 20 0 EDADRP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005398271 708881377 /nfs/dbraw/zinc/88/13/77/708881377.db2.gz MXYFSMXSXDODOU-WMLDXEAASA-N 2 0 325.472 1.999 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CCC2CC2)CC1 ZINC001005411223 708925995 /nfs/dbraw/zinc/92/59/95/708925995.db2.gz WREUWMILHAJHMS-UHFFFAOYSA-N 2 0 347.507 1.781 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423900 708941803 /nfs/dbraw/zinc/94/18/03/708941803.db2.gz GOZTUYFMTICTPY-ZWKOTPCHSA-N 2 0 335.492 1.573 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC001005474937 709111137 /nfs/dbraw/zinc/11/11/37/709111137.db2.gz FGBMFWBBSOOQRE-WBVHZDCISA-N 2 0 325.497 1.819 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001034017351 709234644 /nfs/dbraw/zinc/23/46/44/709234644.db2.gz RESDUHBRYDVCDM-DLBZAZTESA-N 2 0 335.492 1.432 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034136167 709407196 /nfs/dbraw/zinc/40/71/96/709407196.db2.gz JAMOCISEUIRKIR-IAGOWNOFSA-N 2 0 333.480 1.293 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002808677 709411127 /nfs/dbraw/zinc/41/11/27/709411127.db2.gz FBIFQHRRTALRDQ-PKOBYXMFSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002811708 709417574 /nfs/dbraw/zinc/41/75/74/709417574.db2.gz QQUFCTIYIJAZBH-QAPCUYQASA-N 2 0 346.475 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002953778 709654145 /nfs/dbraw/zinc/65/41/45/709654145.db2.gz CKTOFBWDHGRFPJ-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001034290065 709714701 /nfs/dbraw/zinc/71/47/01/709714701.db2.gz FLSULADZDHGOGD-KRWDZBQOSA-N 2 0 345.491 1.482 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001003067823 709919506 /nfs/dbraw/zinc/91/95/06/709919506.db2.gz MBCIBWKICYENDP-HZPDHXFCSA-N 2 0 342.447 1.070 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490458 710109010 /nfs/dbraw/zinc/10/90/10/710109010.db2.gz LMYHIGDEKFWFKJ-RDJZCZTQSA-N 2 0 333.480 1.233 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)C12CCC[NH+]1CCC2 ZINC001003243670 710166725 /nfs/dbraw/zinc/16/67/25/710166725.db2.gz FCHFYGJVXDJQLG-UHFFFAOYSA-N 2 0 331.464 1.092 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003245296 710169043 /nfs/dbraw/zinc/16/90/43/710169043.db2.gz XTVTZWQDZCVZRZ-UHFFFAOYSA-N 2 0 346.475 1.946 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)c3ccc4c[nH+]cn4c3)CC2)cn1 ZINC001003309461 710238787 /nfs/dbraw/zinc/23/87/87/710238787.db2.gz AHPMPJOZTNYRTC-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003333707 710257846 /nfs/dbraw/zinc/25/78/46/710257846.db2.gz SJALKBCQCVAFBS-BJIKQIKSSA-N 2 0 339.867 1.183 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034647983 710324673 /nfs/dbraw/zinc/32/46/73/710324673.db2.gz DAHVWBPVIGYKOQ-ULQDDVLXSA-N 2 0 343.475 1.335 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)CC[N@@H+]1C ZINC001034648306 710325080 /nfs/dbraw/zinc/32/50/80/710325080.db2.gz CYOMKEFLAWMUPP-VDHUWJSZSA-N 2 0 337.508 1.770 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CC3)CC2)n1 ZINC001034648831 710325553 /nfs/dbraw/zinc/32/55/53/710325553.db2.gz POHXJJUMTZRNJV-QAQDUYKDSA-N 2 0 347.507 1.875 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543594 710412100 /nfs/dbraw/zinc/41/21/00/710412100.db2.gz CGNOYTMGYNBFRG-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001003624054 710453729 /nfs/dbraw/zinc/45/37/29/710453729.db2.gz JZPHRMZPKFYDSY-INIZCTEOSA-N 2 0 330.476 1.955 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626127 710455148 /nfs/dbraw/zinc/45/51/48/710455148.db2.gz MKRXZOHNFLMEDZ-CQSZACIVSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003626436 710455524 /nfs/dbraw/zinc/45/55/24/710455524.db2.gz OUDPWDSNURBZOX-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)ccn1 ZINC001003632659 710461414 /nfs/dbraw/zinc/46/14/14/710461414.db2.gz BNGHNMMMOJIZND-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC001003841107 710674212 /nfs/dbraw/zinc/67/42/12/710674212.db2.gz HGYFCJJVJMUELE-PXNSSMCTSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC001034720306 710886814 /nfs/dbraw/zinc/88/68/14/710886814.db2.gz CVGJUHYNTBQPPS-QAQDUYKDSA-N 2 0 347.507 1.587 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001034722359 710889227 /nfs/dbraw/zinc/88/92/27/710889227.db2.gz XGEWSMBOVGPWFB-IYARVYRRSA-N 2 0 347.507 1.321 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034724922 710896884 /nfs/dbraw/zinc/89/68/84/710896884.db2.gz XMKAPTUJKUYWEC-QAQDUYKDSA-N 2 0 347.507 1.762 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC001034733782 710914359 /nfs/dbraw/zinc/91/43/59/710914359.db2.gz CTFFCPBJDNSJGO-YVSFHVDLSA-N 2 0 345.491 1.896 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034734804 710917678 /nfs/dbraw/zinc/91/76/78/710917678.db2.gz ZOGQGEXZMCFUTN-BRWVUGGUSA-N 2 0 347.507 1.762 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034735621 710920734 /nfs/dbraw/zinc/92/07/34/710920734.db2.gz JMLCELOBMINFLX-BRWVUGGUSA-N 2 0 333.480 1.384 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034739209 710933402 /nfs/dbraw/zinc/93/34/02/710933402.db2.gz ZEGSYKMPVTYUIG-JKQORVJESA-N 2 0 348.495 1.013 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958950 710981818 /nfs/dbraw/zinc/98/18/18/710981818.db2.gz CKBINHXGGNABLW-HUUCEWRRSA-N 2 0 336.505 1.621 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034776698 711054144 /nfs/dbraw/zinc/05/41/44/711054144.db2.gz XUUHBPSFYFQHIM-XLAORIBOSA-N 2 0 337.508 1.914 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034791922 711117857 /nfs/dbraw/zinc/11/78/57/711117857.db2.gz YJDCBAMDUVHFDC-JYJNAYRXSA-N 2 0 346.475 1.559 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792932 711120797 /nfs/dbraw/zinc/12/07/97/711120797.db2.gz PGDCPLCWINCOMN-BZUAXINKSA-N 2 0 331.464 1.254 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001003972974 711128264 /nfs/dbraw/zinc/12/82/64/711128264.db2.gz CIVARKRUMFHVMN-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)Cc2cncn2C)CC1)C1CCCC1 ZINC001003973029 711128325 /nfs/dbraw/zinc/12/83/25/711128325.db2.gz DIMIRVUGOYEVOJ-SFHVURJKSA-N 2 0 348.491 1.748 20 0 EDADRP Cc1ncc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001003975718 711173772 /nfs/dbraw/zinc/17/37/72/711173772.db2.gz XYXUSKWFPHEZQO-UHFFFAOYSA-N 2 0 334.489 1.628 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCCCO3)cc2)C1 ZINC001034832483 711238895 /nfs/dbraw/zinc/23/88/95/711238895.db2.gz WOUZXLYTWCRCIM-OALUTQOASA-N 2 0 345.487 1.913 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)cn1 ZINC001034936533 711381711 /nfs/dbraw/zinc/38/17/11/711381711.db2.gz RCAWELGNNNPREM-QZTJIDSGSA-N 2 0 345.491 1.738 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388049 711429576 /nfs/dbraw/zinc/42/95/76/711429576.db2.gz NTHQVAGPIRKPQF-OPNNQBFTSA-N 2 0 334.460 1.970 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001034939868 711442818 /nfs/dbraw/zinc/44/28/18/711442818.db2.gz PISIHTKVZGWHLC-KBRIMQKVSA-N 2 0 331.464 1.206 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)on1 ZINC001034941359 711446193 /nfs/dbraw/zinc/44/61/93/711446193.db2.gz NLJVWTQPEBEDAO-ZBFHGGJFSA-N 2 0 348.447 1.106 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)n1 ZINC001034969568 711448991 /nfs/dbraw/zinc/44/89/91/711448991.db2.gz GXLSJTHLLPKXEU-QGZVFWFLSA-N 2 0 345.491 1.377 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001034972198 711452025 /nfs/dbraw/zinc/45/20/25/711452025.db2.gz CUNJUNYKORLSGW-SJLPKXTDSA-N 2 0 346.475 1.655 20 0 EDADRP CCc1ncc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394643 711461306 /nfs/dbraw/zinc/46/13/06/711461306.db2.gz PWZNKLDEYUALOF-FPAYPSAMSA-N 2 0 332.492 1.998 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCCO)CC1 ZINC001004473823 711850336 /nfs/dbraw/zinc/85/03/36/711850336.db2.gz LXXTYNPJARSRNF-ZWKOTPCHSA-N 2 0 337.508 1.556 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]2C1 ZINC000946621461 711908325 /nfs/dbraw/zinc/90/83/25/711908325.db2.gz ZENUAKDWKBWNGQ-YESZJQIVSA-N 2 0 337.508 1.676 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633221 712055273 /nfs/dbraw/zinc/05/52/73/712055273.db2.gz NOJXWZOHNNRXEB-BBWFWOEESA-N 2 0 325.497 1.389 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616957 712076618 /nfs/dbraw/zinc/07/66/18/712076618.db2.gz NICLKFUQUPEJDO-RDJZCZTQSA-N 2 0 347.463 1.224 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[NH+]21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946642640 712128220 /nfs/dbraw/zinc/12/82/20/712128220.db2.gz OJKRWDFDTYTDOX-FCGDIQPGSA-N 2 0 349.519 1.556 20 0 EDADRP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC[NH+](C)CC1 ZINC000174352014 231186942 /nfs/dbraw/zinc/18/69/42/231186942.db2.gz NDMINJWPXZKZRU-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558722704 306245973 /nfs/dbraw/zinc/24/59/73/306245973.db2.gz OIKMTBQXGQSMGE-JYJNAYRXSA-N 2 0 343.537 1.511 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176001378 231552899 /nfs/dbraw/zinc/55/28/99/231552899.db2.gz BERFSDJKRZSYFQ-JKSUJKDBSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@H+](CCOc1cccc(CNC(=O)C2([NH3+])CC2)c1)C1CCOCC1 ZINC000167347795 529925888 /nfs/dbraw/zinc/92/58/88/529925888.db2.gz SVWGEYNYQUTAAI-UHFFFAOYSA-N 2 0 347.459 1.284 20 0 EDADRP COc1cc([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)ccn1 ZINC000559894905 306259663 /nfs/dbraw/zinc/25/96/63/306259663.db2.gz NTSFZRQCMHENFP-INIZCTEOSA-N 2 0 336.480 1.131 20 0 EDADRP C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000181656303 530050049 /nfs/dbraw/zinc/05/00/49/530050049.db2.gz ZYEOWNQEMQYTHD-SFHVURJKSA-N 2 0 346.475 1.147 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000178695274 232384979 /nfs/dbraw/zinc/38/49/79/232384979.db2.gz IBHIMDFOTSRPQH-IBGZPJMESA-N 2 0 338.455 1.732 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NCCC[NH+]2CCC(O)CC2)cc1 ZINC000066245429 215026837 /nfs/dbraw/zinc/02/68/37/215026837.db2.gz NENXUGHUVLJFMR-UHFFFAOYSA-N 2 0 334.464 1.198 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433343813 539558304 /nfs/dbraw/zinc/55/83/04/539558304.db2.gz PJCUJUHNYVVQFM-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000561190844 306284037 /nfs/dbraw/zinc/28/40/37/306284037.db2.gz FFFRUZVIZIROLC-PBHICJAKSA-N 2 0 331.464 1.658 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000333137057 539624449 /nfs/dbraw/zinc/62/44/49/539624449.db2.gz CNHWULHPDLEUKC-GYXIZQIFSA-N 2 0 349.523 1.127 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000103301935 219287335 /nfs/dbraw/zinc/28/73/35/219287335.db2.gz WEOLJJLBIIUVCC-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000342983267 539769925 /nfs/dbraw/zinc/76/99/25/539769925.db2.gz ASBHPFLXEYYPNI-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CC1CC[NH+](CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000104037036 219341684 /nfs/dbraw/zinc/34/16/84/219341684.db2.gz QCZAPZOAEDJCOF-UHFFFAOYSA-N 2 0 345.491 1.295 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CCC[C@H]2C)C1 ZINC000104077637 219346410 /nfs/dbraw/zinc/34/64/10/219346410.db2.gz RRICOHJNAPENHO-BRWVUGGUSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000121334241 282707787 /nfs/dbraw/zinc/70/77/87/282707787.db2.gz QFULSKRUHGVPCJ-IAGOWNOFSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000153147654 539856243 /nfs/dbraw/zinc/85/62/43/539856243.db2.gz QSPBCBVZYUKZCO-AWEZNQCLSA-N 2 0 340.489 1.789 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000563117258 306319121 /nfs/dbraw/zinc/31/91/21/306319121.db2.gz XBRWDVYPXZGAFI-YUTCNCBUSA-N 2 0 329.366 1.618 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000563198267 306322809 /nfs/dbraw/zinc/32/28/09/306322809.db2.gz MSNNBZCKEZTELC-CQSZACIVSA-N 2 0 344.459 1.543 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)cn2)CC1 ZINC000563211156 306323768 /nfs/dbraw/zinc/32/37/68/306323768.db2.gz NIMCCHGUIBQSCZ-KRWDZBQOSA-N 2 0 345.491 1.228 20 0 EDADRP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100172 540074719 /nfs/dbraw/zinc/07/47/19/540074719.db2.gz ZMPNDIIEKVMSMJ-QZTJIDSGSA-N 2 0 329.492 1.550 20 0 EDADRP C[NH+]1CC[C@H]2CCN(CCCCN3CC[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000370084319 283074882 /nfs/dbraw/zinc/07/48/82/283074882.db2.gz VBLZUAXJCQRHRW-JVSBHGNQSA-N 2 0 334.552 1.819 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184232691 235342731 /nfs/dbraw/zinc/34/27/31/235342731.db2.gz NRKLJVAAAYMSHW-UHFFFAOYSA-N 2 0 325.497 1.903 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372901826 295910537 /nfs/dbraw/zinc/91/05/37/295910537.db2.gz JNIRSPXEZUREMJ-BBRMVZONSA-N 2 0 343.406 1.070 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@@H]2C1 ZINC000563390154 306331574 /nfs/dbraw/zinc/33/15/74/306331574.db2.gz OKUVJPUWFHNOGO-HYVNUMGLSA-N 2 0 337.533 1.757 20 0 EDADRP Cc1[nH]nc2ncc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cc12 ZINC000563462272 306334780 /nfs/dbraw/zinc/33/47/80/306334780.db2.gz VIDVUMWXMHCNJZ-CVEARBPZSA-N 2 0 327.432 1.467 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000070058327 138203045 /nfs/dbraw/zinc/20/30/45/138203045.db2.gz FOALTTZAWGBISW-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000078588026 138258080 /nfs/dbraw/zinc/25/80/80/138258080.db2.gz FMWDZPSZVKQPCH-HZPDHXFCSA-N 2 0 328.501 1.373 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(NC(C)=O)c3)C2)CC1 ZINC000107371379 138304141 /nfs/dbraw/zinc/30/41/41/138304141.db2.gz JFRJYFWNQHKDPT-IBGZPJMESA-N 2 0 330.476 1.857 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C1 ZINC000563620859 306342550 /nfs/dbraw/zinc/34/25/50/306342550.db2.gz PFPAGKKLXWAQKW-HZPDHXFCSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C[NH+]1CCCC1 ZINC000187629611 236265163 /nfs/dbraw/zinc/26/51/63/236265163.db2.gz KRGAXGINZUTGRX-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000487083920 283333247 /nfs/dbraw/zinc/33/32/47/283333247.db2.gz LXGOERWBXKRYHR-OWCLPIDISA-N 2 0 325.522 1.899 20 0 EDADRP CC[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[NH+](CC)CC ZINC000346106905 535407186 /nfs/dbraw/zinc/40/71/86/535407186.db2.gz KCSJTYBMPRRKOB-KRWDZBQOSA-N 2 0 326.529 1.497 20 0 EDADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(F)(F)F ZINC000564560878 306360806 /nfs/dbraw/zinc/36/08/06/306360806.db2.gz HEHRWLGACUTJKD-HUUCEWRRSA-N 2 0 332.366 1.656 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000564715866 306363271 /nfs/dbraw/zinc/36/32/71/306363271.db2.gz PPCFEGIKZOURSG-KRWDZBQOSA-N 2 0 332.448 1.864 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564722353 306363728 /nfs/dbraw/zinc/36/37/28/306363728.db2.gz KWTPISDPNJTWAE-CEXWTWQISA-N 2 0 341.540 1.558 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)C2)CC1 ZINC000564726636 306363979 /nfs/dbraw/zinc/36/39/79/306363979.db2.gz PEKXAAVLADFQSR-ZIFCJYIRSA-N 2 0 334.508 1.003 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000175713047 237317899 /nfs/dbraw/zinc/31/78/99/237317899.db2.gz RVSOJPHSTKRVMM-KRWDZBQOSA-N 2 0 341.496 1.007 20 0 EDADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564870597 306368016 /nfs/dbraw/zinc/36/80/16/306368016.db2.gz AHORPIHHNUKSRO-ROUUACIJSA-N 2 0 347.503 1.313 20 0 EDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414195174 304105353 /nfs/dbraw/zinc/10/53/53/304105353.db2.gz NUKIZCRRHCDYKH-MSOLQXFVSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCOc2ccccc21)N1CCCO[C@H](C[NH3+])C1 ZINC000565707956 306389129 /nfs/dbraw/zinc/38/91/29/306389129.db2.gz IRXBIIBAPUGVSX-FMKPAKJESA-N 2 0 333.432 1.065 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@@]1(C)C[NH3+] ZINC000565823867 306392138 /nfs/dbraw/zinc/39/21/38/306392138.db2.gz WVCROJRBWKCGMS-DNVCBOLYSA-N 2 0 345.491 1.672 20 0 EDADRP CN(C)c1ccncc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414479057 304117796 /nfs/dbraw/zinc/11/77/96/304117796.db2.gz GXQJFEHEVQPRPO-UHFFFAOYSA-N 2 0 347.507 1.034 20 0 EDADRP COCc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000414476942 304117549 /nfs/dbraw/zinc/11/75/49/304117549.db2.gz APGZCZNWUCIENA-UHFFFAOYSA-N 2 0 337.464 1.312 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414699272 304129182 /nfs/dbraw/zinc/12/91/82/304129182.db2.gz DWDJQZSHRSDVMV-UHFFFAOYSA-N 2 0 348.491 1.910 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000414704304 304130519 /nfs/dbraw/zinc/13/05/19/304130519.db2.gz MVXRDHVNBQGUPD-SJORKVTESA-N 2 0 344.459 1.478 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000414735927 304134969 /nfs/dbraw/zinc/13/49/69/304134969.db2.gz MERDKIXWAWGNLL-WMLDXEAASA-N 2 0 344.459 1.732 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786163 304140647 /nfs/dbraw/zinc/14/06/47/304140647.db2.gz UFUWVQNRDZSCPH-DLBZAZTESA-N 2 0 347.507 1.387 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000414834510 304146074 /nfs/dbraw/zinc/14/60/74/304146074.db2.gz SJZWPKSZZKKNCH-CJNGLKHVSA-N 2 0 344.459 1.778 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000414844822 304147197 /nfs/dbraw/zinc/14/71/97/304147197.db2.gz CYCAWROIRLGQLJ-QGZVFWFLSA-N 2 0 344.459 1.561 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000414996017 304149316 /nfs/dbraw/zinc/14/93/16/304149316.db2.gz WTXBEPDFUMSBCV-INIZCTEOSA-N 2 0 346.475 1.677 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@@H]4C[NH2+]CCCO4)[C@H]3C2)cc1 ZINC000415036766 304153359 /nfs/dbraw/zinc/15/33/59/304153359.db2.gz KEYZXWFIGCQNRY-MUGJNUQGSA-N 2 0 329.488 1.865 20 0 EDADRP Cn1c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000415057628 304155150 /nfs/dbraw/zinc/15/51/50/304155150.db2.gz RVNPTIUFJOYPIC-UHFFFAOYSA-N 2 0 327.476 1.879 20 0 EDADRP CCOCCC1(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCC1 ZINC000415091983 304158655 /nfs/dbraw/zinc/15/86/55/304158655.db2.gz RORGGVOTRFBGOJ-MRXNPFEDSA-N 2 0 325.497 1.760 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)c1 ZINC000194834319 139001163 /nfs/dbraw/zinc/00/11/63/139001163.db2.gz CNOQXALSKYQUSQ-UHFFFAOYSA-N 2 0 347.444 1.010 20 0 EDADRP COc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143577 304164527 /nfs/dbraw/zinc/16/45/27/304164527.db2.gz SWJHXKJZJCFXIW-IAGOWNOFSA-N 2 0 344.459 1.415 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000237184497 139043352 /nfs/dbraw/zinc/04/33/52/139043352.db2.gz IWMHEORQPHEVTQ-UHFFFAOYSA-N 2 0 349.475 1.597 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000567378159 306449778 /nfs/dbraw/zinc/44/97/78/306449778.db2.gz QQWUZCZDQAEMPU-AQNXPRMDSA-N 2 0 347.503 1.352 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(C[NH3+])CC3)c2)CC1 ZINC000237217672 139044862 /nfs/dbraw/zinc/04/48/62/139044862.db2.gz YJFRDEPQYYXWEN-UHFFFAOYSA-N 2 0 330.476 1.245 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000237470996 139051919 /nfs/dbraw/zinc/05/19/19/139051919.db2.gz SJQAIQVWBHKRJX-MDZRGWNJSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000237578861 139054609 /nfs/dbraw/zinc/05/46/09/139054609.db2.gz VVOGLQVVXFQKOU-LJQANCHMSA-N 2 0 330.476 1.315 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000237709282 139058388 /nfs/dbraw/zinc/05/83/88/139058388.db2.gz SJQAIQVWBHKRJX-BXWFABGCSA-N 2 0 345.487 1.769 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000238020500 139066654 /nfs/dbraw/zinc/06/66/54/139066654.db2.gz BBRFTTQHTMXBCK-RDJZCZTQSA-N 2 0 335.473 1.011 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000415232769 304177450 /nfs/dbraw/zinc/17/74/50/304177450.db2.gz QZTUEJHGMCLRSR-RHSMWYFYSA-N 2 0 344.459 1.430 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000238146638 139069601 /nfs/dbraw/zinc/06/96/01/139069601.db2.gz RGGGGXWGHNRKKX-OAHLLOKOSA-N 2 0 345.443 1.924 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000245550933 139078981 /nfs/dbraw/zinc/07/89/81/139078981.db2.gz OVWSQTYBLZRUGT-OAGGEKHMSA-N 2 0 329.448 1.538 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000567683148 306458942 /nfs/dbraw/zinc/45/89/42/306458942.db2.gz IMAZIHRSMPRSIE-QGZVFWFLSA-N 2 0 337.895 1.570 20 0 EDADRP [NH3+]C1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000415272978 304182743 /nfs/dbraw/zinc/18/27/43/304182743.db2.gz UUHVSXXHUKPZQL-UHFFFAOYSA-N 2 0 344.459 1.213 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246426141 139108063 /nfs/dbraw/zinc/10/80/63/139108063.db2.gz AUWUSACXYIHERJ-WMLDXEAASA-N 2 0 328.501 1.109 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415367739 304205728 /nfs/dbraw/zinc/20/57/28/304205728.db2.gz KVDBKRQGHVEHTB-CQSZACIVSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415372221 304206806 /nfs/dbraw/zinc/20/68/06/304206806.db2.gz HCROQTLOAZVJJO-AWEZNQCLSA-N 2 0 332.448 1.117 20 0 EDADRP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)[NH3+])c2C1 ZINC000415376824 304207942 /nfs/dbraw/zinc/20/79/42/304207942.db2.gz NICRNWXICNPPBG-ZIAGYGMSSA-N 2 0 346.475 1.839 20 0 EDADRP CC(=O)Nc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000247900390 139155737 /nfs/dbraw/zinc/15/57/37/139155737.db2.gz ALLOBDUOZKQGPQ-UHFFFAOYSA-N 2 0 348.491 1.991 20 0 EDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cnnn2)cc1 ZINC000248012244 139157379 /nfs/dbraw/zinc/15/73/79/139157379.db2.gz LJFJZCGWQUREDN-YJBOKZPZSA-N 2 0 344.463 1.550 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424139221 296279893 /nfs/dbraw/zinc/27/98/93/296279893.db2.gz FATNMDYQRPTJOX-HZPDHXFCSA-N 2 0 346.479 1.151 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248430299 139163463 /nfs/dbraw/zinc/16/34/63/139163463.db2.gz BPBHNYWFHBEXDM-VQIMIIECSA-N 2 0 347.503 1.990 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000248593566 139168445 /nfs/dbraw/zinc/16/84/45/139168445.db2.gz LSEUQNCYGGQVTN-YESZJQIVSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000248855775 139177814 /nfs/dbraw/zinc/17/78/14/139177814.db2.gz PGUPJLIPTGEWFL-SZVBFZGTSA-N 2 0 348.491 1.119 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417011326 284761414 /nfs/dbraw/zinc/76/14/14/284761414.db2.gz RNTXAMXOPPDOCK-GJZGRUSLSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C2(CCO)CCCCC2)CC1 ZINC000411391459 250522233 /nfs/dbraw/zinc/52/22/33/250522233.db2.gz OKJWCSAHZKBKGB-UHFFFAOYSA-N 2 0 325.497 1.650 20 0 EDADRP COCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261539839 139208745 /nfs/dbraw/zinc/20/87/45/139208745.db2.gz BSCRNXXPNDWCFO-QGZVFWFLSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627054 139212483 /nfs/dbraw/zinc/21/24/83/139212483.db2.gz CQEMUMDJADBUDT-IEBWSBKVSA-N 2 0 345.487 1.421 20 0 EDADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261642086 139213764 /nfs/dbraw/zinc/21/37/64/139213764.db2.gz IOYOATRRWHVLSD-DOTOQJQBSA-N 2 0 333.480 1.544 20 0 EDADRP CCCOc1ccc(OCCN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000261653868 139214691 /nfs/dbraw/zinc/21/46/91/139214691.db2.gz JWHYJOSXVHLQLK-KRWDZBQOSA-N 2 0 333.476 1.834 20 0 EDADRP Cc1cc(C)c(NC(=O)CNC(=O)CN2CC[C@](C)(C[NH3+])C2)c(C)c1 ZINC000261724550 139220683 /nfs/dbraw/zinc/22/06/83/139220683.db2.gz NTSJVJGJALZKIG-LJQANCHMSA-N 2 0 346.475 1.337 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000261724644 139220877 /nfs/dbraw/zinc/22/08/77/139220877.db2.gz JMESVTVLJKPAAL-PMPSAXMXSA-N 2 0 349.500 1.725 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c2ccccc2n1 ZINC000261716872 139220063 /nfs/dbraw/zinc/22/00/63/139220063.db2.gz QGTNVLSVYKZAFH-OAHLLOKOSA-N 2 0 326.444 1.830 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000261719316 139220210 /nfs/dbraw/zinc/22/02/10/139220210.db2.gz FBFAFUYZHZCQTF-GOSISDBHSA-N 2 0 344.503 1.705 20 0 EDADRP COCC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000261777940 139225219 /nfs/dbraw/zinc/22/52/19/139225219.db2.gz SDSPNVZJUBVKSP-GOSISDBHSA-N 2 0 345.487 1.783 20 0 EDADRP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261931925 139238182 /nfs/dbraw/zinc/23/81/82/139238182.db2.gz LPVSRZCAWMGBFT-MRXNPFEDSA-N 2 0 341.459 1.468 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261951608 139239499 /nfs/dbraw/zinc/23/94/99/139239499.db2.gz PRVAOJPVAAYROV-KRWDZBQOSA-N 2 0 328.460 1.552 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415491313 304224850 /nfs/dbraw/zinc/22/48/50/304224850.db2.gz DFDSLMNHNGGVSD-DOTOQJQBSA-N 2 0 346.475 1.808 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262067864 139248204 /nfs/dbraw/zinc/24/82/04/139248204.db2.gz SEVZKKLNPBUXQT-ZTFGCOKTSA-N 2 0 331.460 1.692 20 0 EDADRP O=C1CNCCN1[C@H]1CCCN(Cc2nccn2-c2ccccc2)C1 ZINC000262048779 139246606 /nfs/dbraw/zinc/24/66/06/139246606.db2.gz ZJCBFKWIBWJSKV-KRWDZBQOSA-N 2 0 339.443 1.269 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2cnn(C)c2)c1 ZINC000262145338 139254892 /nfs/dbraw/zinc/25/48/92/139254892.db2.gz QHRPKTXXHGVVQW-IBGZPJMESA-N 2 0 339.487 1.875 20 0 EDADRP CCO[C@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(CC)CC ZINC000262154347 139255691 /nfs/dbraw/zinc/25/56/91/139255691.db2.gz PKSNNWZHLJMOQA-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP COc1ccc(CC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000262247306 139263334 /nfs/dbraw/zinc/26/33/34/139263334.db2.gz PRZVVVUPRKARCP-MJGOQNOKSA-N 2 0 345.487 1.818 20 0 EDADRP C[C@@H](C[NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262303495 139268230 /nfs/dbraw/zinc/26/82/30/139268230.db2.gz BTORMZOQWHQPNW-SMDDNHRTSA-N 2 0 329.366 1.991 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000417012919 251129982 /nfs/dbraw/zinc/12/99/82/251129982.db2.gz YAERLFQFAOTNCI-QYZOEREBSA-N 2 0 344.503 1.943 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000416998719 251125105 /nfs/dbraw/zinc/12/51/05/251125105.db2.gz BJANKKYEWMIWGG-IRXDYDNUSA-N 2 0 340.512 1.502 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NCC(C)(C)[NH3+] ZINC000417001359 251125235 /nfs/dbraw/zinc/12/52/35/251125235.db2.gz ZWHOZEQHNOGZKB-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000417025103 251139658 /nfs/dbraw/zinc/13/96/58/251139658.db2.gz XNVNVJCDIWQXTD-ZBFHGGJFSA-N 2 0 340.493 1.419 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000262338692 139271340 /nfs/dbraw/zinc/27/13/40/139271340.db2.gz HRNRGFUPPUEFGU-HOTGVXAUSA-N 2 0 345.487 1.858 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417308476 251153408 /nfs/dbraw/zinc/15/34/08/251153408.db2.gz CRLSULCXALCEPP-JKSUJKDBSA-N 2 0 330.476 1.684 20 0 EDADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)C1C[NH2+]C1 ZINC000262345104 139271969 /nfs/dbraw/zinc/27/19/69/139271969.db2.gz ILVONTALNMDVEX-CYBMUJFWSA-N 2 0 344.459 1.178 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000417318140 251158098 /nfs/dbraw/zinc/15/80/98/251158098.db2.gz YAYKDZFBJUHPDK-BZSNNMDCSA-N 2 0 330.476 1.849 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C[NH3+])C[C@H]2C)CC1 ZINC000417535398 251184581 /nfs/dbraw/zinc/18/45/81/251184581.db2.gz BSLIZDFWHFQGLW-ZIAGYGMSSA-N 2 0 326.485 1.255 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417559719 251187075 /nfs/dbraw/zinc/18/70/75/251187075.db2.gz AFOMSDQVEIENBZ-GOSISDBHSA-N 2 0 348.491 1.310 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417596907 251202602 /nfs/dbraw/zinc/20/26/02/251202602.db2.gz QYXMLFCIZPDMPH-HNNXBMFYSA-N 2 0 334.464 1.698 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NCC1C[NH2+]C1 ZINC000417598420 251203582 /nfs/dbraw/zinc/20/35/82/251203582.db2.gz ZIXHMYFGJQELOV-UHFFFAOYSA-N 2 0 332.448 1.180 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000417660858 251217991 /nfs/dbraw/zinc/21/79/91/251217991.db2.gz NXXVTQQJQSBEES-BYCMXARLSA-N 2 0 340.418 1.865 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000417667359 251220607 /nfs/dbraw/zinc/22/06/07/251220607.db2.gz GJQGSEMAULDFSE-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000417666359 251218896 /nfs/dbraw/zinc/21/88/96/251218896.db2.gz CPVVELCNQNKOPE-BPUTZDHNSA-N 2 0 326.485 1.160 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000417671726 251222811 /nfs/dbraw/zinc/22/28/11/251222811.db2.gz QZBJAVQFUYNUKG-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000417670642 251222904 /nfs/dbraw/zinc/22/29/04/251222904.db2.gz OPHZTEBXJORKKH-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000417752501 251255951 /nfs/dbraw/zinc/25/59/51/251255951.db2.gz RETSFGFXLIRBCQ-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417792984 251272455 /nfs/dbraw/zinc/27/24/55/251272455.db2.gz LCKBKNRCAURIIY-TVFCKZIOSA-N 2 0 334.508 1.938 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000417800532 251274456 /nfs/dbraw/zinc/27/44/56/251274456.db2.gz BYKFADHDDPUECG-GOEBONIOSA-N 2 0 326.485 1.316 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H](CC[NH3+])C2)CC1 ZINC000417800584 251275163 /nfs/dbraw/zinc/27/51/63/251275163.db2.gz CDNROIQTZOUWRS-INIZCTEOSA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417816660 251282632 /nfs/dbraw/zinc/28/26/32/251282632.db2.gz UQBSOMNCVPIJTK-AWEZNQCLSA-N 2 0 348.438 1.172 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000418122887 251335627 /nfs/dbraw/zinc/33/56/27/251335627.db2.gz YCXYPKQQRDNBAZ-LSDHHAIUSA-N 2 0 329.448 1.463 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCCO[C@H](C[NH3+])C1)CCC(F)(F)F ZINC000418078013 251321263 /nfs/dbraw/zinc/32/12/63/251321263.db2.gz MZLWDWKEVXDDCO-GFCCVEGCSA-N 2 0 340.390 1.020 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418110020 251324366 /nfs/dbraw/zinc/32/43/66/251324366.db2.gz VSVBMNOHNJXWBY-KURKYZTESA-N 2 0 328.460 1.369 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108468 251325086 /nfs/dbraw/zinc/32/50/86/251325086.db2.gz RMBSZDLMXGKUQT-FUHWJXTLSA-N 2 0 330.476 1.807 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C[N@@H+]1C1CC1 ZINC000417854366 251298872 /nfs/dbraw/zinc/29/88/72/251298872.db2.gz JPFQHXZSHADCSD-ZBFHGGJFSA-N 2 0 331.464 1.486 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000418429355 251368616 /nfs/dbraw/zinc/36/86/16/251368616.db2.gz RZILNZBDZIAJFA-UHFFFAOYSA-N 2 0 327.517 1.219 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418198764 251354297 /nfs/dbraw/zinc/35/42/97/251354297.db2.gz WASNIHAKZRADND-HOCLYGCPSA-N 2 0 349.479 1.339 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000418201814 251355794 /nfs/dbraw/zinc/35/57/94/251355794.db2.gz SPTYAKZSOFIHBG-NVXWUHKLSA-N 2 0 333.480 1.858 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418199607 251356021 /nfs/dbraw/zinc/35/60/21/251356021.db2.gz XKOLEVICIBLFND-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000418408123 251364838 /nfs/dbraw/zinc/36/48/38/251364838.db2.gz UEGFCXFNQJKHQP-YESZJQIVSA-N 2 0 332.448 1.177 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418722085 251396706 /nfs/dbraw/zinc/39/67/06/251396706.db2.gz LCYYITSPQSUGJW-IRXDYDNUSA-N 2 0 347.507 1.181 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418752573 251412533 /nfs/dbraw/zinc/41/25/33/251412533.db2.gz UFNNGACYTGYUBF-CQSZACIVSA-N 2 0 332.439 1.747 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000569502274 306509077 /nfs/dbraw/zinc/50/90/77/306509077.db2.gz JGNPMWVHYQZCMF-ZNMIVQPWSA-N 2 0 337.439 1.599 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418533680 251377643 /nfs/dbraw/zinc/37/76/43/251377643.db2.gz DRDJRMUFBFZYBP-KRWDZBQOSA-N 2 0 328.501 1.376 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000418706151 251389291 /nfs/dbraw/zinc/38/92/91/251389291.db2.gz FHTPYESCIGPRNJ-MRXNPFEDSA-N 2 0 328.501 1.504 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680121 139295738 /nfs/dbraw/zinc/29/57/38/139295738.db2.gz WUMHPRKNSFBRJM-INIZCTEOSA-N 2 0 334.464 1.824 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000262709262 139297952 /nfs/dbraw/zinc/29/79/52/139297952.db2.gz OUDBIXRNWXSTGT-LJQANCHMSA-N 2 0 333.476 1.777 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1)C1CC[NH2+]CC1 ZINC000262804589 139304948 /nfs/dbraw/zinc/30/49/48/139304948.db2.gz OGRAPAMBSPUZJX-LBPRGKRZSA-N 2 0 342.447 1.895 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000422854409 252001025 /nfs/dbraw/zinc/00/10/25/252001025.db2.gz CSMAJEBXWASUDQ-QZTJIDSGSA-N 2 0 334.508 1.541 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3C[NH3+])C2)cc(OC)c1 ZINC000422864439 252003379 /nfs/dbraw/zinc/00/33/79/252003379.db2.gz NBOGEQRQVDEBTB-JTDSTZFVSA-N 2 0 333.476 1.995 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000423345635 252048371 /nfs/dbraw/zinc/04/83/71/252048371.db2.gz XYTWDINVEZPLKA-UHFFFAOYSA-N 2 0 349.450 1.675 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)nn1 ZINC000423414276 252054072 /nfs/dbraw/zinc/05/40/72/252054072.db2.gz MNPJRPLXYOKGLY-OAHLLOKOSA-N 2 0 334.468 1.011 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422908766 252020457 /nfs/dbraw/zinc/02/04/57/252020457.db2.gz ZCLCWOZXTBABEB-QGZVFWFLSA-N 2 0 339.505 1.746 20 0 EDADRP [NH3+]C1(CNC(=O)CC[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424024294 252117883 /nfs/dbraw/zinc/11/78/83/252117883.db2.gz WWVVUTLGBASROM-KRWDZBQOSA-N 3 0 344.503 1.486 20 0 EDADRP Nc1cc[nH+]cc1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423794195 252077825 /nfs/dbraw/zinc/07/78/25/252077825.db2.gz JJYIXPJCXYGXJA-UHFFFAOYSA-N 2 0 332.448 1.459 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)C1 ZINC000423795941 252079685 /nfs/dbraw/zinc/07/96/85/252079685.db2.gz KYZNPJWSXXPWDW-IEBWSBKVSA-N 2 0 330.476 1.752 20 0 EDADRP Cn1cc(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424142559 252141383 /nfs/dbraw/zinc/14/13/83/252141383.db2.gz YKQRWXPWSWVFMV-KGLIPLIRSA-N 2 0 331.464 1.101 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424146420 252143866 /nfs/dbraw/zinc/14/38/66/252143866.db2.gz PTLFVBGQIOHQHK-HZPDHXFCSA-N 2 0 346.479 1.007 20 0 EDADRP C[C@@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)[NH+]1CCCCCC1 ZINC000424226645 252171820 /nfs/dbraw/zinc/17/18/20/252171820.db2.gz SBXWSIHFDJECIG-HNNXBMFYSA-N 2 0 345.491 1.914 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C1 ZINC000424265953 252184955 /nfs/dbraw/zinc/18/49/55/252184955.db2.gz KNHLXSWYMHOFMW-UHFFFAOYSA-N 2 0 332.448 1.265 20 0 EDADRP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424282817 252190039 /nfs/dbraw/zinc/19/00/39/252190039.db2.gz ARZFGCGFAXANNR-AWEZNQCLSA-N 2 0 345.443 1.876 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000362845390 285033721 /nfs/dbraw/zinc/03/37/21/285033721.db2.gz ZRZYIOYMMILBRL-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000263241331 139330334 /nfs/dbraw/zinc/33/03/34/139330334.db2.gz LGZMPHKESBGOFC-WMZOPIPTSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000263285200 139333293 /nfs/dbraw/zinc/33/32/93/139333293.db2.gz UIEZMIYQWOXYOS-DLBZAZTESA-N 2 0 330.476 1.442 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000112401218 220319058 /nfs/dbraw/zinc/31/90/58/220319058.db2.gz RQSGVGDRDMIISC-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000570273845 306535075 /nfs/dbraw/zinc/53/50/75/306535075.db2.gz TUIQZARBZNLVQK-JKSUJKDBSA-N 2 0 331.464 1.727 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415736786 304263216 /nfs/dbraw/zinc/26/32/16/304263216.db2.gz FYGURLYOQJYVEV-WMLDXEAASA-N 2 0 344.459 1.559 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000434580098 254532728 /nfs/dbraw/zinc/53/27/28/254532728.db2.gz GCIOLHMDQYWUHU-UHFFFAOYSA-N 2 0 338.374 1.038 20 0 EDADRP CN(CCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000570300885 306536782 /nfs/dbraw/zinc/53/67/82/306536782.db2.gz FQNYPQFMOSIDKQ-LJQANCHMSA-N 2 0 334.508 1.101 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)C=Cc1c[nH]cn1 ZINC000493129977 255192989 /nfs/dbraw/zinc/19/29/89/255192989.db2.gz WCIOPURMGYGFFK-SNAWJCMRSA-N 2 0 329.404 1.465 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000495752027 255320650 /nfs/dbraw/zinc/32/06/50/255320650.db2.gz FAKAUBQDENCONR-INIZCTEOSA-N 2 0 327.469 1.290 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164387 255359823 /nfs/dbraw/zinc/35/98/23/255359823.db2.gz BKVQWRMUWWSSMC-HOTGVXAUSA-N 2 0 343.512 1.924 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)OC1CCOCC1 ZINC000495800039 255327053 /nfs/dbraw/zinc/32/70/53/255327053.db2.gz SADLRYCYLKDCKY-OAHLLOKOSA-N 2 0 327.469 1.650 20 0 EDADRP O=C1O[C@]2(CN1CN1CC[C@H](C[NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000496007076 255340660 /nfs/dbraw/zinc/34/06/60/255340660.db2.gz ACKVXMKJJNJPJK-APWZRJJASA-N 2 0 348.491 1.278 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415800896 304274410 /nfs/dbraw/zinc/27/44/10/304274410.db2.gz DVXRSWGIGBNCAM-GOEBONIOSA-N 2 0 346.475 1.629 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000263913002 139369254 /nfs/dbraw/zinc/36/92/54/139369254.db2.gz MMKSZLACFADVJD-MRXNPFEDSA-N 2 0 332.448 1.137 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@@H+](C)CC)c1 ZINC000118109307 221120561 /nfs/dbraw/zinc/12/05/61/221120561.db2.gz LHAGKAJBDDVHGV-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C[C@H]1[NH3+] ZINC000415835936 304279694 /nfs/dbraw/zinc/27/96/94/304279694.db2.gz WNBZHQZJBRUPDY-RHSMWYFYSA-N 2 0 344.459 1.069 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000416244436 304300185 /nfs/dbraw/zinc/30/01/85/304300185.db2.gz VVKNUVPMBCEMEJ-ROUUACIJSA-N 2 0 333.476 1.642 20 0 EDADRP C[N@H+](C[C@H]1CNC(=O)O1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000269951595 140023571 /nfs/dbraw/zinc/02/35/71/140023571.db2.gz GOQMFQVNZPDMEW-MSOLQXFVSA-N 2 0 347.459 1.472 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000270942709 140204220 /nfs/dbraw/zinc/20/42/20/140204220.db2.gz WPTQZDAIVKRCBU-OKMWKSJFSA-N 2 0 331.460 1.103 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000572039163 306580346 /nfs/dbraw/zinc/58/03/46/306580346.db2.gz NGXTXLNBLJDOKY-CQSZACIVSA-N 2 0 327.432 1.298 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000333310806 141297057 /nfs/dbraw/zinc/29/70/57/141297057.db2.gz LPUDIXYVYFKLHK-MRRJBJDNSA-N 2 0 331.464 1.748 20 0 EDADRP COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CC2 ZINC000333342000 141302580 /nfs/dbraw/zinc/30/25/80/141302580.db2.gz YHPIRUVLSNVAHP-QKPAOTATSA-N 2 0 333.480 1.640 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000333353085 141304117 /nfs/dbraw/zinc/30/41/17/141304117.db2.gz JWSGXPRNXDXVIF-TWMKSMIVSA-N 2 0 338.496 1.397 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCSC1 ZINC000333392433 141310636 /nfs/dbraw/zinc/31/06/36/141310636.db2.gz PAGXMVXMOKBKAM-AYDFFVQHSA-N 2 0 326.510 1.111 20 0 EDADRP CN1CC[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1ccc(F)c(F)c1 ZINC000333559825 141337122 /nfs/dbraw/zinc/33/71/22/141337122.db2.gz LGADJEYYEHOHBP-GRIRQICOSA-N 2 0 336.386 1.227 20 0 EDADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333603354 141343450 /nfs/dbraw/zinc/34/34/50/141343450.db2.gz QTWQIMJYVURCOX-INIZCTEOSA-N 2 0 345.491 1.914 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000333863136 141396559 /nfs/dbraw/zinc/39/65/59/141396559.db2.gz QJAIGBVPNMOEMD-MJGOQNOKSA-N 2 0 343.471 1.794 20 0 EDADRP Cc1nc(CC[NH+](C)C/C=C/C[N@H+](C)CCc2noc(C)n2)no1 ZINC000340198871 142300474 /nfs/dbraw/zinc/30/04/74/142300474.db2.gz SYAAJSIZHSNPMC-AATRIKPKSA-N 2 0 334.424 1.274 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000342453001 142722990 /nfs/dbraw/zinc/72/29/90/142722990.db2.gz XZIHATGAIREUKE-ROUUACIJSA-N 2 0 339.524 1.530 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000345532173 143102651 /nfs/dbraw/zinc/10/26/51/143102651.db2.gz AVHIABAGKYLLOR-STQMWFEESA-N 2 0 332.448 1.658 20 0 EDADRP CC(C)(CNC(=O)[C@H]([NH3+])CC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000345686284 143121364 /nfs/dbraw/zinc/12/13/64/143121364.db2.gz AHZRBIXPUGABAJ-CQSZACIVSA-N 2 0 325.403 1.922 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCCC2)c1 ZINC000345698154 143122795 /nfs/dbraw/zinc/12/27/95/143122795.db2.gz BWWJJCLSDXGZQY-CABCVRRESA-N 2 0 341.402 1.931 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCOCC[NH+](C)C ZINC000346163215 143173881 /nfs/dbraw/zinc/17/38/81/143173881.db2.gz LHWQVTTXLKIUNX-SJLPKXTDSA-N 2 0 333.476 1.449 20 0 EDADRP COC(=O)c1coc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000346662207 143228336 /nfs/dbraw/zinc/22/83/36/143228336.db2.gz BMZZSUBIZXDNAT-XJKSGUPXSA-N 2 0 349.431 1.146 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC[NH+](C)C)C1 ZINC000346733448 143239367 /nfs/dbraw/zinc/23/93/67/143239367.db2.gz QBKQCQQVVUFPHM-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccc3c2OCCO3)C1)N1CC[NH2+]CC1 ZINC000347100015 143282726 /nfs/dbraw/zinc/28/27/26/143282726.db2.gz KBOHIXWBPJUIOJ-MRXNPFEDSA-N 2 0 345.443 1.102 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)oc1C ZINC000347222921 143296904 /nfs/dbraw/zinc/29/69/04/143296904.db2.gz UNAQDBMQNNBZAI-AWEZNQCLSA-N 2 0 349.431 1.018 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000347690110 143350018 /nfs/dbraw/zinc/35/00/18/143350018.db2.gz SATPVGZONZYCCM-MRXNPFEDSA-N 2 0 345.491 1.247 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000347727587 143355058 /nfs/dbraw/zinc/35/50/58/143355058.db2.gz RSYVXVKYBNFONJ-KRWDZBQOSA-N 2 0 337.508 1.679 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416782213 304348776 /nfs/dbraw/zinc/34/87/76/304348776.db2.gz FPCKIKZDCRWULS-SQNIBIBYSA-N 2 0 328.460 1.827 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000353434370 286060886 /nfs/dbraw/zinc/06/08/86/286060886.db2.gz DGWKGQLZQMQSLJ-OAGGEKHMSA-N 2 0 328.501 1.373 20 0 EDADRP Cc1nc2ccccn2c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000352977233 149236782 /nfs/dbraw/zinc/23/67/82/149236782.db2.gz NYOFYCYXWMUZGH-UHFFFAOYSA-N 2 0 343.475 1.533 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000353014668 149252978 /nfs/dbraw/zinc/25/29/78/149252978.db2.gz JMSNKPLMEUFSRN-INIZCTEOSA-N 2 0 340.512 1.395 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000353099532 149285729 /nfs/dbraw/zinc/28/57/29/149285729.db2.gz WEGFHSLCKHBJLP-HOTGVXAUSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)N(CC[NH3+])CCO)cc1 ZINC000416971724 304357741 /nfs/dbraw/zinc/35/77/41/304357741.db2.gz HILXOPLAKJJWFC-INIZCTEOSA-N 2 0 348.491 1.524 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000416978421 304360223 /nfs/dbraw/zinc/36/02/23/304360223.db2.gz RCQBWURZAYKNHM-QGZVFWFLSA-N 2 0 330.476 1.826 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCN2C)c1 ZINC000416980910 304360838 /nfs/dbraw/zinc/36/08/38/304360838.db2.gz KDWYIYFOBCHWIQ-SFHVURJKSA-N 2 0 347.507 1.231 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355176728 150153558 /nfs/dbraw/zinc/15/35/58/150153558.db2.gz VVMIMEJQNPLWLL-HUUCEWRRSA-N 2 0 326.485 1.005 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[NH2+][C@@H](C)C2)cc1 ZINC000416986270 304361796 /nfs/dbraw/zinc/36/17/96/304361796.db2.gz IYXFSGRGTDOQFF-INIZCTEOSA-N 2 0 348.491 1.911 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N1CCC[NH2+]CC1 ZINC000417030056 304362413 /nfs/dbraw/zinc/36/24/13/304362413.db2.gz WAYHRHYYRSPUAE-UHFFFAOYSA-N 2 0 345.491 1.204 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C)CC[C@H]2C)C[C@H](C)O1 ZINC000355483094 150286766 /nfs/dbraw/zinc/28/67/66/150286766.db2.gz RILHIUAEJYPSTL-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417046049 304366326 /nfs/dbraw/zinc/36/63/26/304366326.db2.gz ZDTQVXCWHVQHSH-YJBOKZPZSA-N 2 0 330.476 1.732 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064202 304368190 /nfs/dbraw/zinc/36/81/90/304368190.db2.gz ABYKRWHITJELEE-XWTMOSNGSA-N 2 0 328.460 1.750 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccco1 ZINC000357546872 151063716 /nfs/dbraw/zinc/06/37/16/151063716.db2.gz QDCHXSQEHAFEBT-HOCLYGCPSA-N 2 0 345.447 1.937 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)CC1 ZINC000357824578 151163184 /nfs/dbraw/zinc/16/31/84/151163184.db2.gz UVIXVDPDRHWRES-SFHVURJKSA-N 2 0 325.497 1.868 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000357915129 151194635 /nfs/dbraw/zinc/19/46/35/151194635.db2.gz IPRFVIWCZOVCPT-IRXDYDNUSA-N 2 0 341.544 1.432 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)ccc1OCC(=O)N(C)C ZINC000358002553 151231269 /nfs/dbraw/zinc/23/12/69/151231269.db2.gz GNNJHAYDLNQTBN-ZBFHGGJFSA-N 2 0 349.475 1.592 20 0 EDADRP C[C@@H]1CN(C(=O)c2cn(C)nc2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000358084466 151264397 /nfs/dbraw/zinc/26/43/97/151264397.db2.gz WNMKJFRAZWLFHF-CQSZACIVSA-N 2 0 345.491 1.538 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358490843 151392962 /nfs/dbraw/zinc/39/29/62/151392962.db2.gz DMVFVHYLJGWTGU-APWZRJJASA-N 2 0 348.491 1.215 20 0 EDADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc2c(c1)OCO2 ZINC000358493546 151393813 /nfs/dbraw/zinc/39/38/13/151393813.db2.gz DLGVIVCBGMUETG-UHFFFAOYSA-N 2 0 331.416 1.819 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417092861 304371876 /nfs/dbraw/zinc/37/18/76/304371876.db2.gz AKPBXPUHSDJBET-CQSZACIVSA-N 2 0 328.526 1.631 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897630 152245851 /nfs/dbraw/zinc/24/58/51/152245851.db2.gz MWLKZGHGOGGHAY-HOTGVXAUSA-N 2 0 325.497 1.819 20 0 EDADRP COC(=O)CCCN1CCC([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000360953862 152262302 /nfs/dbraw/zinc/26/23/02/152262302.db2.gz JNQRKPVWJQJKRF-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417152753 304378329 /nfs/dbraw/zinc/37/83/29/304378329.db2.gz IJLCFNJVWZXGLT-MAUKXSAKSA-N 2 0 345.491 1.957 20 0 EDADRP CN(C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC([NH3+])C1 ZINC000417158916 304379181 /nfs/dbraw/zinc/37/91/81/304379181.db2.gz ONKPLIXTTVXUHA-UHFFFAOYSA-N 2 0 334.439 1.921 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370160999 155356307 /nfs/dbraw/zinc/35/63/07/155356307.db2.gz KJDZUTQOZDEWEW-CABCVRRESA-N 2 0 333.480 1.501 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417161273 304379371 /nfs/dbraw/zinc/37/93/71/304379371.db2.gz QNDUIGXNSXAXTM-QGZVFWFLSA-N 2 0 331.464 1.569 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000370201274 155375007 /nfs/dbraw/zinc/37/50/07/155375007.db2.gz IVHDVZVSJUEZFD-XYJFISCASA-N 2 0 341.496 1.008 20 0 EDADRP CC(C)NC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363608328 153011717 /nfs/dbraw/zinc/01/17/17/153011717.db2.gz ZJTGQXYLRBNURN-HZPDHXFCSA-N 2 0 325.497 1.722 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000363609784 153012681 /nfs/dbraw/zinc/01/26/81/153012681.db2.gz AHGAIPQGGWRQJM-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCc1nnc(C2CC2)n1C ZINC000363707387 153035638 /nfs/dbraw/zinc/03/56/38/153035638.db2.gz QIVCYQIRILQUKE-FVQBIDKESA-N 2 0 333.480 1.672 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCc1ccnc(-n2ccnc2)c1 ZINC000364168857 153161798 /nfs/dbraw/zinc/16/17/98/153161798.db2.gz GRJMNNPPDCNZME-UHFFFAOYSA-N 2 0 342.447 1.893 20 0 EDADRP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364725979 153314832 /nfs/dbraw/zinc/31/48/32/153314832.db2.gz HICIBVOXKQKULJ-HOTGVXAUSA-N 2 0 334.464 1.665 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000417201603 304384145 /nfs/dbraw/zinc/38/41/45/304384145.db2.gz WSIBFNXPRHFICE-RYQLBKOJSA-N 2 0 332.492 1.928 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1cccs1 ZINC000364849234 153351151 /nfs/dbraw/zinc/35/11/51/153351151.db2.gz FWMQKXDGTFKOSU-OAHLLOKOSA-N 2 0 329.469 1.963 20 0 EDADRP C[C@H](CNC(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417343816 304393067 /nfs/dbraw/zinc/39/30/67/304393067.db2.gz QXTZOJSLAVAXAA-OAHLLOKOSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000417371847 304395193 /nfs/dbraw/zinc/39/51/93/304395193.db2.gz WCCWVAGKLUGTPC-GOSISDBHSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)CN1CC[NH+](C)CC1 ZINC000369609930 155109290 /nfs/dbraw/zinc/10/92/90/155109290.db2.gz UZBSQUPSWINDIU-SQNIBIBYSA-N 2 0 333.524 1.919 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000417455143 304397248 /nfs/dbraw/zinc/39/72/48/304397248.db2.gz DQWYVZVRVQPRAX-CVEARBPZSA-N 2 0 326.485 1.255 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1(C)C ZINC000367380626 286504179 /nfs/dbraw/zinc/50/41/79/286504179.db2.gz BFKNKMOJGAOEGL-KBXCAEBGSA-N 2 0 335.423 1.942 20 0 EDADRP C[C@@H](NC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1=CC[NH+](C)CC1 ZINC000371581910 156015380 /nfs/dbraw/zinc/01/53/80/156015380.db2.gz SMWZJPONEZFKGP-SJLPKXTDSA-N 2 0 349.523 1.058 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000372381957 156362208 /nfs/dbraw/zinc/36/22/08/156362208.db2.gz AJMJIMTZZLMALC-ZWKOTPCHSA-N 2 0 346.475 1.015 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@@H]4CCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000372426457 156384379 /nfs/dbraw/zinc/38/43/79/156384379.db2.gz VXDILTBXZTUCNH-JYJNAYRXSA-N 2 0 333.480 1.480 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417547839 304404569 /nfs/dbraw/zinc/40/45/69/304404569.db2.gz PIIWIGWXNDPYKV-GDBMZVCRSA-N 2 0 340.512 1.693 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000374044610 157120384 /nfs/dbraw/zinc/12/03/84/157120384.db2.gz TUKCLDGVOZDMPV-QZTJIDSGSA-N 2 0 349.519 1.964 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000374737027 157383366 /nfs/dbraw/zinc/38/33/66/157383366.db2.gz SGGPZTZHUQGQRU-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCNC(=O)C(F)(F)F ZINC000378439062 158173618 /nfs/dbraw/zinc/17/36/18/158173618.db2.gz ZPKVKFKCLBLLOP-JHJVBQTASA-N 2 0 337.386 1.239 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)no1 ZINC000378476461 158185918 /nfs/dbraw/zinc/18/59/18/158185918.db2.gz WFKRLFOPZZVZKE-PMPSAXMXSA-N 2 0 333.480 1.813 20 0 EDADRP COC1(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCOCC1 ZINC000408379508 158347682 /nfs/dbraw/zinc/34/76/82/158347682.db2.gz LJIWIVPGHSQKEW-DLBZAZTESA-N 2 0 326.481 1.540 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000576038648 306676054 /nfs/dbraw/zinc/67/60/54/306676054.db2.gz GYACLNXMBYMUJO-OAGGEKHMSA-N 2 0 325.497 1.756 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000417927185 304432652 /nfs/dbraw/zinc/43/26/52/304432652.db2.gz FSQACLWZBUIWDS-WBVHZDCISA-N 2 0 334.439 1.781 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCc1ccccc1C[NH+](C)C ZINC000352322744 162117149 /nfs/dbraw/zinc/11/71/49/162117149.db2.gz RYXMAVFFKFSQBN-UHFFFAOYSA-N 2 0 327.494 1.509 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](CCO)CC1CC1 ZINC000352481957 162205068 /nfs/dbraw/zinc/20/50/68/162205068.db2.gz FSBVCPKUKUMFBH-APWZRJJASA-N 2 0 345.487 1.470 20 0 EDADRP Cn1c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc2oc1=O ZINC000352551008 162247052 /nfs/dbraw/zinc/24/70/52/162247052.db2.gz SJZLYXDGQYUSKG-OAHLLOKOSA-N 2 0 333.432 1.458 20 0 EDADRP CC(=O)c1ccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000364231527 162322474 /nfs/dbraw/zinc/32/24/74/162322474.db2.gz MNZWWSFBXJQEID-QGZVFWFLSA-N 2 0 329.444 1.788 20 0 EDADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)Cc2ccccc2C1 ZINC000366350108 162377376 /nfs/dbraw/zinc/37/73/76/162377376.db2.gz ZLSXHJNQAKITGP-ROUUACIJSA-N 2 0 343.471 1.100 20 0 EDADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)N1CC[NH2+]CC1 ZINC000417987806 304442878 /nfs/dbraw/zinc/44/28/78/304442878.db2.gz OWXVHAAHIAQSJE-UHFFFAOYSA-N 2 0 346.475 1.319 20 0 EDADRP COC[C@@]1(CNC(=O)NCC2(C[NH+](C)C)CCCC2)CCC[NH2+]1 ZINC000418005276 304444928 /nfs/dbraw/zinc/44/49/28/304444928.db2.gz AXOLZRIFQASTHM-KRWDZBQOSA-N 2 0 326.485 1.176 20 0 EDADRP C[NH2+]CCNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418338049 304482903 /nfs/dbraw/zinc/48/29/03/304482903.db2.gz YUOFNBCTVGGWRS-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C[C@H]3CCC[NH2+]3)ccc2oc1=O ZINC000166619969 226164223 /nfs/dbraw/zinc/16/42/23/226164223.db2.gz QOQSCUPRUJFRGK-GFCCVEGCSA-N 2 0 332.404 1.237 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccco1 ZINC000123943552 222355608 /nfs/dbraw/zinc/35/56/08/222355608.db2.gz NPUXIGPJXBHSTB-YOEHRIQHSA-N 2 0 340.468 1.274 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)c1ccco1 ZINC000123944324 222356121 /nfs/dbraw/zinc/35/61/21/222356121.db2.gz NPUXIGPJXBHSTB-RHSMWYFYSA-N 2 0 340.468 1.274 20 0 EDADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1Cl ZINC000130276086 287489561 /nfs/dbraw/zinc/48/95/61/287489561.db2.gz UBFDXWQAQLKNCD-UHFFFAOYSA-N 2 0 327.856 1.914 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)CC[NH+](C)C)c2)CC1 ZINC000274771499 268203095 /nfs/dbraw/zinc/20/30/95/268203095.db2.gz CXXMCSMSPHRIRS-UHFFFAOYSA-N 2 0 333.480 1.854 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1[NH+](C)C ZINC000275466091 268346782 /nfs/dbraw/zinc/34/67/82/268346782.db2.gz WKWRKBAJXDSUEA-RHSMWYFYSA-N 2 0 346.475 1.138 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000276069117 273146579 /nfs/dbraw/zinc/14/65/79/273146579.db2.gz VWVXCWRCEROKLM-OAHLLOKOSA-N 2 0 346.475 1.139 20 0 EDADRP COC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000279125055 273281742 /nfs/dbraw/zinc/28/17/42/273281742.db2.gz VFYFQIWQAIDXPI-KSZLIROESA-N 2 0 349.475 1.189 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000279124771 273281774 /nfs/dbraw/zinc/28/17/74/273281774.db2.gz DIHFFBMMBHDJOB-HOTGVXAUSA-N 2 0 345.491 1.180 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262147971 276034885 /nfs/dbraw/zinc/03/48/85/276034885.db2.gz QQUMUZPCWXMGAZ-UYAOXDASSA-N 2 0 346.519 1.999 20 0 EDADRP C[C@H](C[NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000285854352 287873937 /nfs/dbraw/zinc/87/39/37/287873937.db2.gz XYEYDNUENZJTEQ-MRXNPFEDSA-N 2 0 333.476 1.769 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC000107368139 276198220 /nfs/dbraw/zinc/19/82/20/276198220.db2.gz FRTPZXWNSPYLQM-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CC[N@H+](C)CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851953 276305625 /nfs/dbraw/zinc/30/56/25/276305625.db2.gz VXLXXUFAOVMPGE-CQSZACIVSA-N 2 0 328.254 1.691 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@H]1C ZINC000363662277 276362239 /nfs/dbraw/zinc/36/22/39/276362239.db2.gz MWEZJSKUPGGXPI-BRSBDYLESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000286351718 287987597 /nfs/dbraw/zinc/98/75/97/287987597.db2.gz ZYDRTSPEAGHORB-NSHDSACASA-N 2 0 344.381 1.991 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423344333 277966016 /nfs/dbraw/zinc/96/60/16/277966016.db2.gz XQTXYOFNNYJVLE-BZUAXINKSA-N 2 0 347.507 1.975 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415421744 278181736 /nfs/dbraw/zinc/18/17/36/278181736.db2.gz VIRWBNWGSOBJKD-CYBMUJFWSA-N 2 0 332.448 1.067 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]1C ZINC000333136298 279036220 /nfs/dbraw/zinc/03/62/20/279036220.db2.gz CJNKSVJOLPCYIE-DIECFANBSA-N 2 0 338.496 1.146 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@@H+]1C ZINC000445925588 279119923 /nfs/dbraw/zinc/11/99/23/279119923.db2.gz OLWVUIRPGQPUNW-GDBMZVCRSA-N 2 0 346.475 1.328 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262242047 279123274 /nfs/dbraw/zinc/12/32/74/279123274.db2.gz KZPAGIHJNNHLPJ-INIZCTEOSA-N 2 0 333.480 1.152 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457823494 279128215 /nfs/dbraw/zinc/12/82/15/279128215.db2.gz XRPWQTOGMGEFLZ-HZPDHXFCSA-N 2 0 328.501 1.109 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000166433751 279175254 /nfs/dbraw/zinc/17/52/54/279175254.db2.gz AQUBNWKZBHPCFK-INMHGKMJSA-N 2 0 325.497 1.708 20 0 EDADRP C[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000262144295 279204676 /nfs/dbraw/zinc/20/46/76/279204676.db2.gz YDSZBBZTFZMEOO-AEFFLSMTSA-N 2 0 330.476 1.013 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418193650 279375248 /nfs/dbraw/zinc/37/52/48/279375248.db2.gz CLXGYRBUTIBBTA-USXIJHARSA-N 2 0 340.512 1.643 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000287080760 288151693 /nfs/dbraw/zinc/15/16/93/288151693.db2.gz KOWZZDYILMSWRL-DOTOQJQBSA-N 2 0 327.432 1.845 20 0 EDADRP CC[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)C1(C(=O)OC)CCC1 ZINC000353555154 280186853 /nfs/dbraw/zinc/18/68/53/280186853.db2.gz ZBVSDBPVRGMXFZ-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@H]1C[C@@H](OC)C[NH+]1C ZINC000347241641 280248926 /nfs/dbraw/zinc/24/89/26/280248926.db2.gz DPRAMHXWDJQPAU-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919839 288293566 /nfs/dbraw/zinc/29/35/66/288293566.db2.gz IDFLXYCQGFHSEQ-CRAIPNDOSA-N 2 0 334.508 1.288 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000458552551 282060381 /nfs/dbraw/zinc/06/03/81/282060381.db2.gz MZAYNWRUWIAEDS-CVEARBPZSA-N 2 0 340.512 1.394 20 0 EDADRP Cn1ncc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)n1 ZINC000289288564 288667196 /nfs/dbraw/zinc/66/71/96/288667196.db2.gz ACFDSUVBIBLJIN-SFHVURJKSA-N 2 0 329.448 1.350 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000290064283 288832037 /nfs/dbraw/zinc/83/20/37/288832037.db2.gz FTQVTNWDOCWUIS-MSOLQXFVSA-N 2 0 333.476 1.877 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000290176281 288852855 /nfs/dbraw/zinc/85/28/55/288852855.db2.gz PGFHEHSDDUCMJZ-MOPGFXCFSA-N 2 0 345.487 1.648 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290589737 288921367 /nfs/dbraw/zinc/92/13/67/288921367.db2.gz OJPAQPSNOXRSHF-MOPGFXCFSA-N 2 0 327.472 1.967 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000357138060 289128820 /nfs/dbraw/zinc/12/88/20/289128820.db2.gz NPTMIJFFPXGYHM-ZBFHGGJFSA-N 2 0 336.484 1.006 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422897158 289171770 /nfs/dbraw/zinc/17/17/70/289171770.db2.gz JFNBAENDGCEGHG-HSALFYBXSA-N 3 0 347.503 1.874 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377200928 289219912 /nfs/dbraw/zinc/21/99/12/289219912.db2.gz CFTUWAHCINWLIT-SJLPKXTDSA-N 2 0 340.512 1.395 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292262841 289300915 /nfs/dbraw/zinc/30/09/15/289300915.db2.gz YUEWUZRLAYOXBV-MJGOQNOKSA-N 2 0 347.459 1.412 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCSC1 ZINC000353327371 289399563 /nfs/dbraw/zinc/39/95/63/289399563.db2.gz NQHAIDMJRFSARF-FMKPAKJESA-N 2 0 326.510 1.159 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422763029 292804487 /nfs/dbraw/zinc/80/44/87/292804487.db2.gz OKDHLTXMFVZQNL-MSOLQXFVSA-N 2 0 339.455 1.543 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417015496 293290217 /nfs/dbraw/zinc/29/02/17/293290217.db2.gz MOXNZSSVVNXAIK-BFYDXBDKSA-N 2 0 326.485 1.175 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000348131116 293876574 /nfs/dbraw/zinc/87/65/74/293876574.db2.gz ZVIJPBQNVBTCDA-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP Cn1nnc2cc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)ccc21 ZINC000349804505 294646001 /nfs/dbraw/zinc/64/60/01/294646001.db2.gz TWBAHJYSRMBYTJ-UHFFFAOYSA-N 2 0 330.480 1.474 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CCC[NH2+]CC1)CC2 ZINC000422770244 295040262 /nfs/dbraw/zinc/04/02/62/295040262.db2.gz URGORAPDYLNWNM-QGZVFWFLSA-N 2 0 333.476 1.794 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000333939172 295319327 /nfs/dbraw/zinc/31/93/27/295319327.db2.gz NAAPWMHGWWOMDC-TWMKSMIVSA-N 2 0 336.480 1.151 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000237303485 295604401 /nfs/dbraw/zinc/60/44/01/295604401.db2.gz KUPNFCJTNIMWLF-FMKPAKJESA-N 2 0 343.537 1.415 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418555440 304512574 /nfs/dbraw/zinc/51/25/74/304512574.db2.gz DTGPAVYISAACSH-WMLDXEAASA-N 2 0 336.455 1.897 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1C ZINC000347957287 297268917 /nfs/dbraw/zinc/26/89/17/297268917.db2.gz CUYPLKHUETVRQE-QLFBSQMISA-N 2 0 340.512 1.068 20 0 EDADRP CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574415 304514400 /nfs/dbraw/zinc/51/44/00/304514400.db2.gz VJLFEESETJVSPC-BBRMVZONSA-N 2 0 340.418 1.613 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000418610930 304518769 /nfs/dbraw/zinc/51/87/69/304518769.db2.gz ARECDHFOENZJJN-HNNXBMFYSA-N 2 0 333.480 1.937 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)CC2)CC1 ZINC000418664343 304527871 /nfs/dbraw/zinc/52/78/71/304527871.db2.gz AWZUOZUIFQOUBR-JREVHRFXSA-N 2 0 334.508 1.746 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418869871 304542122 /nfs/dbraw/zinc/54/21/22/304542122.db2.gz XSWZTKYFBWXNHK-IRXDYDNUSA-N 2 0 346.475 1.135 20 0 EDADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422804000 298793834 /nfs/dbraw/zinc/79/38/34/298793834.db2.gz GSWXRNQEAMUJSC-AYBZRNKSSA-N 2 0 331.460 1.553 20 0 EDADRP COc1nccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000295156094 303181652 /nfs/dbraw/zinc/18/16/52/303181652.db2.gz KCETWKCHLVWNEK-UHFFFAOYSA-N 2 0 342.447 1.182 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000295799801 303269124 /nfs/dbraw/zinc/26/91/24/303269124.db2.gz CBHSYARPEDOVLF-GOSISDBHSA-N 2 0 342.491 1.844 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000296009574 303289793 /nfs/dbraw/zinc/28/97/93/303289793.db2.gz OUANJGLUMLEXBE-QGZVFWFLSA-N 2 0 333.476 1.616 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@@H]3C[NH+]3CCCC3)cc2C1 ZINC000333353297 303490300 /nfs/dbraw/zinc/49/03/00/303490300.db2.gz RRXRQIFLEFSIND-DOTOQJQBSA-N 2 0 343.475 1.990 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000414856597 447330533 /nfs/dbraw/zinc/33/05/33/447330533.db2.gz OMLJMZKDSXHHEK-RHSMWYFYSA-N 2 0 344.459 1.732 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000414860451 447331730 /nfs/dbraw/zinc/33/17/30/447331730.db2.gz VLRQPBRCVGPEPN-GASCZTMLSA-N 2 0 346.475 1.724 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000414858874 447332090 /nfs/dbraw/zinc/33/20/90/447332090.db2.gz SSSVCIIOAHZKKH-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000372876376 447332792 /nfs/dbraw/zinc/33/27/92/447332792.db2.gz HZOKISRICOGZGS-CQSZACIVSA-N 2 0 331.464 1.394 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(c3cc[nH+]cc3C(N)=O)CC2)C[C@H](C)O1 ZINC000302130904 303713899 /nfs/dbraw/zinc/71/38/99/303713899.db2.gz BFGIWSNFOXYJBK-GJZGRUSLSA-N 2 0 346.475 1.896 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000419669919 447335628 /nfs/dbraw/zinc/33/56/28/447335628.db2.gz VZWYHWOKELESMB-JKSUJKDBSA-N 2 0 340.512 1.245 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H](C)C[NH3+])CC2)cc1 ZINC000414871945 447336303 /nfs/dbraw/zinc/33/63/03/447336303.db2.gz DSLLJUIMAPWYPM-ZDUSSCGKSA-N 2 0 341.477 1.033 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](C3CCCC3)CC2)C1 ZINC000377765919 447344573 /nfs/dbraw/zinc/34/45/73/447344573.db2.gz BQBHYENTKVLZJW-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CC(C)[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882000 447342600 /nfs/dbraw/zinc/34/26/00/447342600.db2.gz LUDHOBHYPLDNSX-CZUORRHYSA-N 2 0 332.448 1.443 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423048033 304884071 /nfs/dbraw/zinc/88/40/71/304884071.db2.gz HLZJMGGPUXHZKQ-ZFWWWQNUSA-N 2 0 341.452 1.583 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423298385 304891569 /nfs/dbraw/zinc/89/15/69/304891569.db2.gz OFXZSKUEVJEFHB-UONOGXRCSA-N 2 0 327.494 1.963 20 0 EDADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)c(OC)c1 ZINC000423329505 304892632 /nfs/dbraw/zinc/89/26/32/304892632.db2.gz BFDNXHNBYYSUPI-ZDUSSCGKSA-N 2 0 333.432 1.930 20 0 EDADRP [NH3+][C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC1 ZINC000423386737 304894246 /nfs/dbraw/zinc/89/42/46/304894246.db2.gz RODMPGPKMPDLFD-SFHVURJKSA-N 2 0 331.460 1.387 20 0 EDADRP CC(C)(C)[C@@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@H]1O ZINC000423879009 304912924 /nfs/dbraw/zinc/91/29/24/304912924.db2.gz RTAKSBMBTLUDEM-HZPDHXFCSA-N 2 0 325.497 1.445 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897316 304976422 /nfs/dbraw/zinc/97/64/22/304976422.db2.gz TXBUQUKHBUXXRP-HNNXBMFYSA-N 3 0 335.496 1.257 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000428960321 305021068 /nfs/dbraw/zinc/02/10/68/305021068.db2.gz BHUXWUYOGQGZGS-WMZOPIPTSA-N 2 0 344.503 1.946 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CC1 ZINC000429032734 305023246 /nfs/dbraw/zinc/02/32/46/305023246.db2.gz YHXPNYMAOMROOE-UHFFFAOYSA-N 2 0 331.464 1.550 20 0 EDADRP COc1ccccc1OCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611043 305058724 /nfs/dbraw/zinc/05/87/24/305058724.db2.gz NHNBYRFYOTWVRI-INIZCTEOSA-N 2 0 347.459 1.218 20 0 EDADRP O=C([C@H]1CCC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1)N1CC[NH2+]CC1 ZINC000430615949 305059208 /nfs/dbraw/zinc/05/92/08/305059208.db2.gz DTVVBSZIIDNKTH-MAUKXSAKSA-N 2 0 331.435 1.957 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC([NH3+])CC1 ZINC000430620417 305059660 /nfs/dbraw/zinc/05/96/60/305059660.db2.gz HRXKFLWXSZSZQC-INIZCTEOSA-N 2 0 344.503 1.579 20 0 EDADRP COc1ccc(OC)c([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430628234 305060188 /nfs/dbraw/zinc/06/01/88/305060188.db2.gz UZTTWHDBMRSDIG-KGLIPLIRSA-N 2 0 349.475 1.940 20 0 EDADRP Cc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430643490 305061018 /nfs/dbraw/zinc/06/10/18/305061018.db2.gz RLARLECKUFSIHU-LSDHHAIUSA-N 2 0 332.448 1.109 20 0 EDADRP C[C@@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)[NH+]1CCC(C[NH3+])CC1 ZINC000430648792 305061114 /nfs/dbraw/zinc/06/11/14/305061114.db2.gz HQGXZCARROTAOO-GOEBONIOSA-N 2 0 347.459 1.344 20 0 EDADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000430650300 305061218 /nfs/dbraw/zinc/06/12/18/305061218.db2.gz URLRONWOZNYXJG-JKSUJKDBSA-N 2 0 346.475 1.417 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000430913390 305067569 /nfs/dbraw/zinc/06/75/69/305067569.db2.gz USITYESXUARKNP-SQNIBIBYSA-N 2 0 333.476 1.940 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431016387 305072869 /nfs/dbraw/zinc/07/28/69/305072869.db2.gz ZWLSWCITGUVFRW-KRWDZBQOSA-N 2 0 345.487 1.954 20 0 EDADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)NC(=O)Nc1ccccc1 ZINC000431036082 305073357 /nfs/dbraw/zinc/07/33/57/305073357.db2.gz DMRKUWGCSNZVDN-UHFFFAOYSA-N 2 0 330.432 1.800 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000431060229 305074079 /nfs/dbraw/zinc/07/40/79/305074079.db2.gz RJVVXDHSJXMIKA-ROUUACIJSA-N 2 0 331.460 1.627 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000433129827 305101197 /nfs/dbraw/zinc/10/11/97/305101197.db2.gz PETUXNGSYGMZGG-UHFFFAOYSA-N 3 0 336.524 1.667 20 0 EDADRP CC(=O)Nc1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433140164 305101566 /nfs/dbraw/zinc/10/15/66/305101566.db2.gz ZXQQWMMNPHJVLS-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP COc1cc(CNC(=O)[C@H](C[NH3+])C(C)C)ccc1OCC[NH+](C)C ZINC000433158121 305101926 /nfs/dbraw/zinc/10/19/26/305101926.db2.gz OULSLKCNELIDOU-OAHLLOKOSA-N 2 0 337.464 1.483 20 0 EDADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)N(C)c1ccccc1 ZINC000433161075 305102093 /nfs/dbraw/zinc/10/20/93/305102093.db2.gz QEKUJRHXKXPAMI-MRXNPFEDSA-N 2 0 332.492 1.831 20 0 EDADRP C[N@H+](CCCNC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000433159472 305102165 /nfs/dbraw/zinc/10/21/65/305102165.db2.gz LXXSMCBHETVSJB-UHFFFAOYSA-N 3 0 338.540 1.961 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCCCC2)CCCO1 ZINC000433285757 305104875 /nfs/dbraw/zinc/10/48/75/305104875.db2.gz SVDOSRABBYTQHB-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000433358014 305106451 /nfs/dbraw/zinc/10/64/51/305106451.db2.gz XJAMPQGMHSJDHB-FUHWJXTLSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000433382980 305106977 /nfs/dbraw/zinc/10/69/77/305106977.db2.gz GPLLNSRKFPNGBW-KBPBESRZSA-N 2 0 348.476 1.297 20 0 EDADRP CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435629913 305144069 /nfs/dbraw/zinc/14/40/69/305144069.db2.gz VNUCDEZHXRSUSU-AWEZNQCLSA-N 2 0 341.477 1.177 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000438888594 305190488 /nfs/dbraw/zinc/19/04/88/305190488.db2.gz DGONPEJXQIPNNH-QRTARXTBSA-N 2 0 328.460 1.979 20 0 EDADRP C[NH+](C)C1CCN(c2cncc(N3CCC([NH+](C)C)CC3)n2)CC1 ZINC000439102463 305193977 /nfs/dbraw/zinc/19/39/77/305193977.db2.gz YEFMHRSLZCYYHU-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000441330602 305221012 /nfs/dbraw/zinc/22/10/12/305221012.db2.gz LXYZLCASLHAIDP-XWTMOSNGSA-N 2 0 327.513 1.263 20 0 EDADRP C[C@@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000443234292 305237284 /nfs/dbraw/zinc/23/72/84/305237284.db2.gz FLXFNSGWHWZBDH-CZUORRHYSA-N 2 0 330.542 1.699 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1CCCC1 ZINC000444203572 305244112 /nfs/dbraw/zinc/24/41/12/305244112.db2.gz FXRRNQHKUJOYJP-UHFFFAOYSA-N 2 0 331.526 1.464 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1(C)C ZINC000444265453 305245032 /nfs/dbraw/zinc/24/50/32/305245032.db2.gz FONQNUXQRHLIET-FCEWJHQRSA-N 2 0 337.508 1.709 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000449119014 305307194 /nfs/dbraw/zinc/30/71/94/305307194.db2.gz VTFGZDFQQNVPPC-OAHLLOKOSA-N 2 0 325.497 1.772 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1)C1CC1 ZINC000449712381 305317804 /nfs/dbraw/zinc/31/78/04/305317804.db2.gz RKTOQKFYALBKMH-SFHVURJKSA-N 2 0 331.460 1.779 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000471652420 305537822 /nfs/dbraw/zinc/53/78/22/305537822.db2.gz JHKYHECXFOGCIC-INIZCTEOSA-N 2 0 340.443 1.306 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000529283251 305906694 /nfs/dbraw/zinc/90/66/94/305906694.db2.gz LECSOMNMKQKDAN-QGZVFWFLSA-N 2 0 334.464 1.316 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000529325373 305909206 /nfs/dbraw/zinc/90/92/06/305909206.db2.gz UVCODDSFVMZGGA-SFHVURJKSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)n2)CC1 ZINC000534312165 306006002 /nfs/dbraw/zinc/00/60/02/306006002.db2.gz JJCWSVFEVCSMMQ-OAHLLOKOSA-N 2 0 343.475 1.048 20 0 EDADRP C[N@H+](CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000545309253 306084054 /nfs/dbraw/zinc/08/40/54/306084054.db2.gz YXVBZKMFDIPNQV-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000546148186 306091525 /nfs/dbraw/zinc/09/15/25/306091525.db2.gz URYNXXMXSQEZHL-MOPGFXCFSA-N 2 0 348.535 1.488 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000557134276 306224760 /nfs/dbraw/zinc/22/47/60/306224760.db2.gz QZYGDRCEQDSILQ-WMZOPIPTSA-N 2 0 338.496 1.128 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000557187197 306225860 /nfs/dbraw/zinc/22/58/60/306225860.db2.gz MJEIRCCTBZUZFO-OAHLLOKOSA-N 2 0 345.443 1.108 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419735719 447382168 /nfs/dbraw/zinc/38/21/68/447382168.db2.gz WFKDQSODXZSKLA-GJZGRUSLSA-N 2 0 346.475 1.039 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000456392952 447385682 /nfs/dbraw/zinc/38/56/82/447385682.db2.gz XNYZFOWHRBTFDQ-INIZCTEOSA-N 2 0 334.464 1.578 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCCNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000377885365 447385733 /nfs/dbraw/zinc/38/57/33/447385733.db2.gz SHFMOFATMABBJL-JKSUJKDBSA-N 2 0 341.496 1.944 20 0 EDADRP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000661233746 453768441 /nfs/dbraw/zinc/76/84/41/453768441.db2.gz IFMIRXUYZCEWOB-JKSUJKDBSA-N 2 0 327.513 1.874 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)NCC3([NH+](C)C)CC3)c2C1 ZINC000419793798 447414987 /nfs/dbraw/zinc/41/49/87/447414987.db2.gz CZNLRMAIJRQZHQ-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419799992 447421761 /nfs/dbraw/zinc/42/17/61/447421761.db2.gz GNCIZULIRQAGMC-OAHLLOKOSA-N 2 0 338.496 1.097 20 0 EDADRP CC[C@H]1CN(CCNC(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000422247743 447421965 /nfs/dbraw/zinc/42/19/65/447421965.db2.gz XPKSKUSOBAACPZ-GPANFISMSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccc(F)cc2)n[nH]1 ZINC000103212264 441177907 /nfs/dbraw/zinc/17/79/07/441177907.db2.gz AURYWUDIOVPTOL-UHFFFAOYSA-N 2 0 347.438 1.781 20 0 EDADRP COc1ccc2c(ccn2CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000103212307 441178175 /nfs/dbraw/zinc/17/81/75/441178175.db2.gz RQAOKEGBGAQBCW-UHFFFAOYSA-N 2 0 346.475 1.602 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000105173712 441239882 /nfs/dbraw/zinc/23/98/82/441239882.db2.gz BUVFWOIUFRGVTB-SJLPKXTDSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726509 441201890 /nfs/dbraw/zinc/20/18/90/441201890.db2.gz ULNNIVUEYHXZCS-OAHLLOKOSA-N 2 0 346.475 1.804 20 0 EDADRP CC1CC[NH+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000073659645 441339492 /nfs/dbraw/zinc/33/94/92/441339492.db2.gz AZBXMJKACKSBMF-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)CN2CC[NH+](CC)CC2)cc1 ZINC000073404393 441314416 /nfs/dbraw/zinc/31/44/16/441314416.db2.gz AXJYRKIIBNRARF-UHFFFAOYSA-N 2 0 346.519 1.782 20 0 EDADRP Cc1cn2c(n1)CC[C@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000106914049 441389110 /nfs/dbraw/zinc/38/91/10/441389110.db2.gz KOFXJIQIOJKDMG-IRXDYDNUSA-N 2 0 326.444 1.795 20 0 EDADRP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000110715689 441523427 /nfs/dbraw/zinc/52/34/27/441523427.db2.gz PVACJBOVCQMJNJ-OWCLPIDISA-N 2 0 342.528 1.170 20 0 EDADRP COCC[NH+]1CCC(NCC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000089594330 441561701 /nfs/dbraw/zinc/56/17/01/441561701.db2.gz OONOTRDJVCLGLH-UHFFFAOYSA-N 2 0 339.524 1.722 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000067246317 441621256 /nfs/dbraw/zinc/62/12/56/441621256.db2.gz CGAKCRYBZIMYBV-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136615980 441707877 /nfs/dbraw/zinc/70/78/77/441707877.db2.gz LKWPRWSTKXDHSV-HZPDHXFCSA-N 2 0 348.491 1.872 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000173388015 441730995 /nfs/dbraw/zinc/73/09/95/441730995.db2.gz VDHWNZRJQFDIPO-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000158683325 441754710 /nfs/dbraw/zinc/75/47/10/441754710.db2.gz GGFYLQHTTOFBOP-XHSDSOJGSA-N 2 0 329.510 1.074 20 0 EDADRP CCNC(=O)NC(=O)CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158877415 441770311 /nfs/dbraw/zinc/77/03/11/441770311.db2.gz FHXNPRMQVOGFAQ-HNNXBMFYSA-N 2 0 338.496 1.809 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000068423566 441795494 /nfs/dbraw/zinc/79/54/94/441795494.db2.gz XURUUWICTQHGRK-IBGZPJMESA-N 2 0 346.519 1.775 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(Cl)c1 ZINC000077751322 441846622 /nfs/dbraw/zinc/84/66/22/441846622.db2.gz HHHZOAIRBFOLNX-UHFFFAOYSA-N 2 0 326.872 1.975 20 0 EDADRP c1nc2cnccn2c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093734957 441893000 /nfs/dbraw/zinc/89/30/00/441893000.db2.gz GXQAAGRLWXSNHD-UHFFFAOYSA-N 2 0 329.448 1.806 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000174500785 441931154 /nfs/dbraw/zinc/93/11/54/441931154.db2.gz ANEIHVSWTWXCHR-IYBDPMFKSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000078500705 441938243 /nfs/dbraw/zinc/93/82/43/441938243.db2.gz WMZNYJPEIAPZIN-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CN(c2ccccc2)C(=O)O1 ZINC000174715081 441957366 /nfs/dbraw/zinc/95/73/66/441957366.db2.gz CLQGFVFTQBQBPL-SFHVURJKSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)cc12 ZINC000162195149 442072530 /nfs/dbraw/zinc/07/25/30/442072530.db2.gz BPVDVMNVYVFQNI-UHFFFAOYSA-N 2 0 344.507 1.735 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)C ZINC000175533638 442080765 /nfs/dbraw/zinc/08/07/65/442080765.db2.gz FPZGIIWNFWXPCX-QGZVFWFLSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175805478 442125776 /nfs/dbraw/zinc/12/57/76/442125776.db2.gz ZIVNXNJRXNLQLE-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176050276 442167224 /nfs/dbraw/zinc/16/72/24/442167224.db2.gz LVXKUTQHPFJVIW-ZDUSSCGKSA-N 2 0 349.479 1.699 20 0 EDADRP CCS(=O)(=O)CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163463888 442167550 /nfs/dbraw/zinc/16/75/50/442167550.db2.gz RJFQDXRVGIAEDW-AWEZNQCLSA-N 2 0 328.478 1.712 20 0 EDADRP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121138406 442181686 /nfs/dbraw/zinc/18/16/86/442181686.db2.gz DPGLYICQZAVNPP-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176037979 442164789 /nfs/dbraw/zinc/16/47/89/442164789.db2.gz QCNLBHMPHWTPRA-UHFFFAOYSA-N 2 0 348.491 1.843 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000168890855 442225271 /nfs/dbraw/zinc/22/52/71/442225271.db2.gz JPYLNYDUHKPJTI-LJQANCHMSA-N 2 0 335.467 1.793 20 0 EDADRP COC(=O)[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060894 442304847 /nfs/dbraw/zinc/30/48/47/442304847.db2.gz JBYUFFSBZMMVJS-ZOSBBBERSA-N 2 0 338.448 1.313 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC2CC[NH+](C)CC2)C1 ZINC000170885372 442282759 /nfs/dbraw/zinc/28/27/59/442282759.db2.gz RMQKGOZWXSBLSW-KRWDZBQOSA-N 2 0 340.512 1.374 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000171356311 442342916 /nfs/dbraw/zinc/34/29/16/442342916.db2.gz NKJCZWADRRAWRF-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CCCNC(=O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177482908 442347907 /nfs/dbraw/zinc/34/79/07/442347907.db2.gz UFQZVGJTMQHRTJ-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCC(=O)N2 ZINC000131334714 442370258 /nfs/dbraw/zinc/37/02/58/442370258.db2.gz ATTPSNOMMPABAS-UHFFFAOYSA-N 2 0 347.463 1.528 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000130743547 442355233 /nfs/dbraw/zinc/35/52/33/442355233.db2.gz JSDTUTFDNMQCQA-HNNXBMFYSA-N 2 0 327.469 1.698 20 0 EDADRP C[C@@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000133919980 442440136 /nfs/dbraw/zinc/44/01/36/442440136.db2.gz HAZBOISSNVFYNI-HUUCEWRRSA-N 2 0 341.521 1.231 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCOC(C)(C)C2)[C@H](C)C1 ZINC000178707826 442459451 /nfs/dbraw/zinc/45/94/51/442459451.db2.gz CWLWUKFSAAIGHL-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178982514 442545103 /nfs/dbraw/zinc/54/51/03/442545103.db2.gz FPMRFCDEJZCEAT-AWEZNQCLSA-N 2 0 337.468 1.284 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000179853329 442512199 /nfs/dbraw/zinc/51/21/99/442512199.db2.gz KRWSBMMMZIXYGV-CRAIPNDOSA-N 2 0 333.476 1.628 20 0 EDADRP CCCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[NH2+]C1 ZINC000178885001 442514003 /nfs/dbraw/zinc/51/40/03/442514003.db2.gz CAPINWPOQBFCLF-KRWDZBQOSA-N 2 0 345.491 1.194 20 0 EDADRP CCC(CC)[C@@H](C(=O)N1CC[NH+](C(C)C)CC1)N1CCOCC1 ZINC000173057170 442596327 /nfs/dbraw/zinc/59/63/27/442596327.db2.gz CXFSYWHBORGYFN-KRWDZBQOSA-N 2 0 325.497 1.676 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000186844865 442620469 /nfs/dbraw/zinc/62/04/69/442620469.db2.gz RIMLYYIFAJSPHM-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)C1CCCCC1 ZINC000186914664 442629188 /nfs/dbraw/zinc/62/91/88/442629188.db2.gz JMYAJCMBXXUQRC-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187766246 442691508 /nfs/dbraw/zinc/69/15/08/442691508.db2.gz KAMZOACSVZKVAN-GOSISDBHSA-N 2 0 327.513 1.435 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000192838761 442691784 /nfs/dbraw/zinc/69/17/84/442691784.db2.gz TUYRILBSHJRTDS-SFHVURJKSA-N 2 0 340.556 1.180 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000187903831 442697304 /nfs/dbraw/zinc/69/73/04/442697304.db2.gz WBTDOWICRAWJHZ-RBUKOAKNSA-N 2 0 345.487 1.912 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000187934976 442698682 /nfs/dbraw/zinc/69/86/82/442698682.db2.gz XBGYXRYBBHQHCG-OKZBNKHCSA-N 2 0 331.460 1.044 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(OC)CCC1 ZINC000181818697 442718076 /nfs/dbraw/zinc/71/80/76/442718076.db2.gz IYOMLMYHBSTPNE-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000188269509 442731805 /nfs/dbraw/zinc/73/18/05/442731805.db2.gz DLHRNKKVBOCAFB-INIZCTEOSA-N 2 0 333.476 1.884 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188751922 442803311 /nfs/dbraw/zinc/80/33/11/442803311.db2.gz DFRLLOMQOXPHBT-IJEWVQPXSA-N 2 0 348.422 1.022 20 0 EDADRP C[C@@H](O)C[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@@H]2C[C@@H](C)O)COC1 ZINC000182360493 442760128 /nfs/dbraw/zinc/76/01/28/442760128.db2.gz UGAHRGXXXFJYSQ-BRSBDYLESA-N 2 0 340.508 1.474 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000182358428 442760159 /nfs/dbraw/zinc/76/01/59/442760159.db2.gz MGIGIHFJHBJWEB-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP O=C(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188989563 442855901 /nfs/dbraw/zinc/85/59/01/442855901.db2.gz IPSOBRGALKAEDY-YOEHRIQHSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148204 442870561 /nfs/dbraw/zinc/87/05/61/442870561.db2.gz UDWOFVGFYQJGGZ-QAPCUYQASA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)CCO1 ZINC000194590049 442918659 /nfs/dbraw/zinc/91/86/59/442918659.db2.gz MGYWIUJEBNVABH-HNNXBMFYSA-N 2 0 335.492 1.573 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000248911762 442937953 /nfs/dbraw/zinc/93/79/53/442937953.db2.gz CFHDVPSDCKGCIQ-SJORKVTESA-N 2 0 334.464 1.045 20 0 EDADRP C[C@@H]1C[NH+](CC(C)(C)O)CCN1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000249143350 442956723 /nfs/dbraw/zinc/95/67/23/442956723.db2.gz WSVIRVKAASOREE-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000249176411 442958723 /nfs/dbraw/zinc/95/87/23/442958723.db2.gz ZIVARMYZHIHUFZ-PMPSAXMXSA-N 2 0 340.512 1.346 20 0 EDADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CCOCC1 ZINC000249204677 442960727 /nfs/dbraw/zinc/96/07/27/442960727.db2.gz VMOKVEKILCFDHD-UXHICEINSA-N 2 0 348.487 1.784 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NOCC1CC1 ZINC000297445453 318764493 /nfs/dbraw/zinc/76/44/93/318764493.db2.gz PNMMYUHBXHWALQ-UHFFFAOYSA-N 2 0 333.436 1.235 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000266477615 443139301 /nfs/dbraw/zinc/13/93/01/443139301.db2.gz CYXHSBCJUJZBOP-RBUKOAKNSA-N 2 0 345.487 1.642 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000236724296 443145420 /nfs/dbraw/zinc/14/54/20/443145420.db2.gz OFTIDTVOLFRCHV-HZPDHXFCSA-N 2 0 341.496 1.680 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236777278 443147660 /nfs/dbraw/zinc/14/76/60/443147660.db2.gz ZVCFVVFFKHZTOC-ZWKOTPCHSA-N 2 0 333.476 1.940 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000237837292 443183864 /nfs/dbraw/zinc/18/38/64/443183864.db2.gz OZAGSLYMPIYAGW-FUHWJXTLSA-N 2 0 331.460 1.647 20 0 EDADRP COCC1(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000262419444 443194643 /nfs/dbraw/zinc/19/46/43/443194643.db2.gz UTHKGKQOKGICQF-HZPDHXFCSA-N 2 0 325.497 1.487 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C[NH2+]C2CC2)CC1)Cc1ccccc1 ZINC000237136775 443160059 /nfs/dbraw/zinc/16/00/59/443160059.db2.gz QEQSBYHULPBDTD-UHFFFAOYSA-N 2 0 330.476 1.015 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964010 443160737 /nfs/dbraw/zinc/16/07/37/443160737.db2.gz YASPCNNMSGRHTG-SJLPKXTDSA-N 2 0 334.508 1.523 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262771304 443211590 /nfs/dbraw/zinc/21/15/90/443211590.db2.gz MJSOSYLZQWCDBZ-YVSFHVDLSA-N 2 0 347.507 1.904 20 0 EDADRP C[C@@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000411741163 319199607 /nfs/dbraw/zinc/19/96/07/319199607.db2.gz ZFTOAQUKXURRQX-KRWDZBQOSA-N 2 0 334.508 1.853 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1C ZINC000245880615 443254509 /nfs/dbraw/zinc/25/45/09/443254509.db2.gz NOLTUNPIBHNUGE-KBPBESRZSA-N 2 0 340.512 1.392 20 0 EDADRP Cc1nc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cs1 ZINC000414201673 319318989 /nfs/dbraw/zinc/31/89/89/319318989.db2.gz SXMHGHAHYNBPIR-CQSZACIVSA-N 2 0 338.521 1.899 20 0 EDADRP CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000414673422 319339697 /nfs/dbraw/zinc/33/96/97/319339697.db2.gz CFYGZOCNXSXDCV-CVEARBPZSA-N 2 0 347.459 1.346 20 0 EDADRP COc1ccc(C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)cc1 ZINC000414674774 319339919 /nfs/dbraw/zinc/33/99/19/319339919.db2.gz FCRSLJMANSOESP-MRXNPFEDSA-N 2 0 331.460 1.857 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCOC[C@H]2Cc2ccccc2)C1 ZINC000414679208 319340782 /nfs/dbraw/zinc/34/07/82/319340782.db2.gz RHSBMTXLANEGBC-ZWKOTPCHSA-N 2 0 331.460 1.127 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414680404 319341040 /nfs/dbraw/zinc/34/10/40/319341040.db2.gz NDGVIYMORBDDOI-MJGOQNOKSA-N 2 0 344.503 1.309 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)CC(C)C ZINC000414681078 319341179 /nfs/dbraw/zinc/34/11/79/319341179.db2.gz OGVSRQNYZZAVBS-KRWDZBQOSA-N 2 0 348.491 1.957 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+](C)C ZINC000414683363 319341680 /nfs/dbraw/zinc/34/16/80/319341680.db2.gz SXKQXODOVXIBJU-CZUORRHYSA-N 2 0 334.464 1.737 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415989326 319387800 /nfs/dbraw/zinc/38/78/00/319387800.db2.gz AAHFYWKAZSZLKJ-ZDUSSCGKSA-N 2 0 332.370 1.697 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269272738 443261292 /nfs/dbraw/zinc/26/12/92/443261292.db2.gz UFIYKIPIYXGPAW-NJAFHUGGSA-N 2 0 331.460 1.392 20 0 EDADRP CC[NH+]1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000266848604 443266087 /nfs/dbraw/zinc/26/60/87/443266087.db2.gz RCDAGFZUBLAODR-UHFFFAOYSA-N 2 0 344.503 1.648 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000416853705 319467006 /nfs/dbraw/zinc/46/70/06/319467006.db2.gz UHRVQGDOGHMDNR-WBVHZDCISA-N 2 0 346.475 1.741 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000416938317 319479260 /nfs/dbraw/zinc/47/92/60/319479260.db2.gz FHJMRIKWYQLXMP-KFWWJZLASA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000278401662 443320155 /nfs/dbraw/zinc/32/01/55/443320155.db2.gz BPIXDNDTMJROJG-GOSISDBHSA-N 2 0 331.460 1.870 20 0 EDADRP C[C@H]([NH2+]CCNS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272466549 443328087 /nfs/dbraw/zinc/32/80/87/443328087.db2.gz KWZDZZSAIUICFB-HOCLYGCPSA-N 2 0 325.478 1.036 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418690421 319511640 /nfs/dbraw/zinc/51/16/40/319511640.db2.gz WWHLZRUOXLSNKI-ULQDDVLXSA-N 2 0 340.512 1.504 20 0 EDADRP CC(C)C(=O)N1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191477009 443299928 /nfs/dbraw/zinc/29/99/28/443299928.db2.gz LPYQRVQKIGXHHW-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP C[C@H]([NH2+]C1CCN(C=O)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000278644257 443389203 /nfs/dbraw/zinc/38/92/03/443389203.db2.gz HUGQMNLHMLFMCZ-HNNXBMFYSA-N 2 0 348.466 1.849 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000419169946 319565729 /nfs/dbraw/zinc/56/57/29/319565729.db2.gz NBBREFMVAPZTCY-NVXWUHKLSA-N 2 0 346.475 1.039 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@H+](C)C3CC3)CC2)c1 ZINC000264809921 443435290 /nfs/dbraw/zinc/43/52/90/443435290.db2.gz GEOLWBGIKMETGC-UHFFFAOYSA-N 2 0 333.436 1.016 20 0 EDADRP CN(CC[N@H+](C)CCC(=O)Nc1ccccc1)C1CC[NH+](C)CC1 ZINC000267466008 443467342 /nfs/dbraw/zinc/46/73/42/443467342.db2.gz MBAGCAVYYUEDDC-UHFFFAOYSA-N 2 0 332.492 1.973 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422945842 319739776 /nfs/dbraw/zinc/73/97/76/319739776.db2.gz VLBLDFHBLZHCGG-AWEZNQCLSA-N 2 0 325.478 1.688 20 0 EDADRP CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184780 319755095 /nfs/dbraw/zinc/75/50/95/319755095.db2.gz NJEARGZDQJJLAZ-WBVHZDCISA-N 2 0 338.473 1.657 20 0 EDADRP COC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423201305 319756395 /nfs/dbraw/zinc/75/63/95/319756395.db2.gz ICBJXIXESQSIOQ-HNNXBMFYSA-N 2 0 331.382 1.888 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[NH+]4CCC3CC4)ccc21 ZINC000423750832 319810603 /nfs/dbraw/zinc/81/06/03/319810603.db2.gz ADQZWTHJEJVTGT-UHFFFAOYSA-N 2 0 326.444 1.910 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(=O)[nH]n3)cn2)CC1 ZINC000428217437 319904931 /nfs/dbraw/zinc/90/49/31/319904931.db2.gz HBEITLQTTNUJTM-CQSZACIVSA-N 2 0 342.447 1.570 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000265416451 443635590 /nfs/dbraw/zinc/63/55/90/443635590.db2.gz IOHMBGYSVBVFCT-CABCVRRESA-N 2 0 340.493 1.323 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(Cn3cncn3)c2)CC1 ZINC000433165698 319973375 /nfs/dbraw/zinc/97/33/75/319973375.db2.gz CSAXPVYZTDYLKQ-UHFFFAOYSA-N 2 0 342.447 1.468 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439344240 320045081 /nfs/dbraw/zinc/04/50/81/320045081.db2.gz DUHRTRGKQCRKQC-DLBZAZTESA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000441055723 320086994 /nfs/dbraw/zinc/08/69/94/320086994.db2.gz ZDJWDODGOYKDEV-WWGRRREGSA-N 2 0 326.510 1.348 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000441811495 320102400 /nfs/dbraw/zinc/10/24/00/320102400.db2.gz FQDBSNHKUSUSIK-XSLAGTTESA-N 2 0 327.513 1.120 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1C[C@]12CC[NH2+]C2)c1ccccc1 ZINC000444193045 320119678 /nfs/dbraw/zinc/11/96/78/320119678.db2.gz ZVWYOMZNZXPWSP-BJLQDIEVSA-N 2 0 345.487 1.812 20 0 EDADRP O=C(N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449702139 320200146 /nfs/dbraw/zinc/20/01/46/320200146.db2.gz RSBCUZARCZNSLB-ZWOKBUDYSA-N 2 0 327.472 1.766 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCCC1 ZINC000457441382 320325988 /nfs/dbraw/zinc/32/59/88/320325988.db2.gz QOFIINNSHIBHAJ-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000298891881 443894278 /nfs/dbraw/zinc/89/42/78/443894278.db2.gz XEXVQNIKTNJJFK-HUUCEWRRSA-N 2 0 346.475 1.852 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000285146637 443873006 /nfs/dbraw/zinc/87/30/06/443873006.db2.gz SKJOKDYNCFHRBS-HNNXBMFYSA-N 2 0 348.491 1.211 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000288594404 443929422 /nfs/dbraw/zinc/92/94/22/443929422.db2.gz TUZQUHRDPKZNNJ-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299240186 443992705 /nfs/dbraw/zinc/99/27/05/443992705.db2.gz JGUOZOPSYCUZBV-IBGZPJMESA-N 2 0 345.487 1.878 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000299242063 443993657 /nfs/dbraw/zinc/99/36/57/443993657.db2.gz KNGLBYXBTKXHND-KRWDZBQOSA-N 2 0 336.455 1.993 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000299242064 443993909 /nfs/dbraw/zinc/99/39/09/443993909.db2.gz KNGLBYXBTKXHND-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP CC(C)CN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299462730 444052189 /nfs/dbraw/zinc/05/21/89/444052189.db2.gz AIPRXVBTJPCQCH-UHFFFAOYSA-N 2 0 333.480 1.891 20 0 EDADRP COc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccn1 ZINC000556264334 320978223 /nfs/dbraw/zinc/97/82/23/320978223.db2.gz LMRPYMKYKUNDIQ-HOCLYGCPSA-N 2 0 336.480 1.833 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000557140374 321000486 /nfs/dbraw/zinc/00/04/86/321000486.db2.gz BYODREBILVSXFE-UHFFFAOYSA-N 2 0 332.492 1.931 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)c(F)c1 ZINC000559582029 321015858 /nfs/dbraw/zinc/01/58/58/321015858.db2.gz PKPNUDSLLMTKCK-UHFFFAOYSA-N 2 0 347.381 1.993 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561145261 321035073 /nfs/dbraw/zinc/03/50/73/321035073.db2.gz CUJYTLXWFUMCMM-ZWKOTPCHSA-N 2 0 346.475 1.329 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC000563972480 321118518 /nfs/dbraw/zinc/11/85/18/321118518.db2.gz VRCLOCJQXXXLSI-KRWDZBQOSA-N 2 0 339.524 1.925 20 0 EDADRP C[N@H+](C[C@@H](O)CN(Cc1cccc(O)c1)[C@H]1CC[C@H](O)CC1)C1CC1 ZINC000564665464 321140396 /nfs/dbraw/zinc/14/03/96/321140396.db2.gz INKJDBQMWDXNDP-QWFCFKBJSA-N 2 0 348.487 1.953 20 0 EDADRP O=C(CN[C@@H](c1cccnc1)c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000564822196 321149867 /nfs/dbraw/zinc/14/98/67/321149867.db2.gz HLUHGDBQQCHIEQ-SFHVURJKSA-N 2 0 346.381 1.471 20 0 EDADRP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)CCC2 ZINC000565769341 321200256 /nfs/dbraw/zinc/20/02/56/321200256.db2.gz UJUTXLVUQMZNFC-CYBMUJFWSA-N 2 0 349.431 1.164 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000566009860 321210465 /nfs/dbraw/zinc/21/04/65/321210465.db2.gz OZJBAECWWLKTJI-MPTYRVRUSA-N 2 0 346.475 1.180 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3ccccc3Cl)CC2)CC1 ZINC000567685643 321252342 /nfs/dbraw/zinc/25/23/42/321252342.db2.gz HIDJMSFHPBLUPB-OAHLLOKOSA-N 2 0 337.895 1.570 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[C@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000568202706 321280213 /nfs/dbraw/zinc/28/02/13/321280213.db2.gz UCQZYSCGUCHPOF-NJAFHUGGSA-N 2 0 331.460 1.080 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000568609015 321298792 /nfs/dbraw/zinc/29/87/92/321298792.db2.gz RULGGCJHTWJMFK-QRVBRYPASA-N 2 0 342.487 1.887 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568770195 321305941 /nfs/dbraw/zinc/30/59/41/321305941.db2.gz VNSCHZYXGMTFOE-ZWKOTPCHSA-N 2 0 330.476 1.682 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000570262692 321343134 /nfs/dbraw/zinc/34/31/34/321343134.db2.gz IFLOXDRYCPMDBH-HNNXBMFYSA-N 2 0 344.459 1.212 20 0 EDADRP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570544863 321346768 /nfs/dbraw/zinc/34/67/68/321346768.db2.gz OJSYYSJBWOOHID-MSOLQXFVSA-N 2 0 347.507 1.679 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3(C[NH3+])CCC3)cc2)CC1 ZINC000570573184 321349230 /nfs/dbraw/zinc/34/92/30/321349230.db2.gz MKZAHPUKVZXRFU-UHFFFAOYSA-N 2 0 330.476 1.782 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000570949571 321366242 /nfs/dbraw/zinc/36/62/42/321366242.db2.gz LKRUEEURBGXRJX-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC12CCOCC2 ZINC000571088790 321370542 /nfs/dbraw/zinc/37/05/42/321370542.db2.gz QSEBIGKUHSYMFZ-NVXWUHKLSA-N 2 0 329.444 1.087 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000571204822 321376507 /nfs/dbraw/zinc/37/65/07/321376507.db2.gz YIYNBVJJDZFQRK-GOSISDBHSA-N 2 0 331.460 1.566 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000571507662 321389165 /nfs/dbraw/zinc/38/91/65/321389165.db2.gz SYDBVZHYOXYNAK-ZWKOTPCHSA-N 2 0 335.411 1.889 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)[C@@H](C)C1 ZINC000282266491 444131487 /nfs/dbraw/zinc/13/14/87/444131487.db2.gz AGGHATOTCZBTCB-LNLFQRSKSA-N 2 0 345.487 1.986 20 0 EDADRP O=C(C[NH2+]C1CC1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000572281854 321424715 /nfs/dbraw/zinc/42/47/15/321424715.db2.gz WCYKAYABTLMROG-UHFFFAOYSA-N 2 0 335.423 1.537 20 0 EDADRP COc1cc2c(cc1F)[nH+]ccc2N1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000573862957 321460307 /nfs/dbraw/zinc/46/03/07/321460307.db2.gz DTPWRYMFQMYCBH-GWCFXTLKSA-N 2 0 330.363 1.131 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)nn1 ZINC000289784289 444203139 /nfs/dbraw/zinc/20/31/39/444203139.db2.gz QFWCOLIARLOXQX-UHFFFAOYSA-N 2 0 342.491 1.691 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000290134299 444246750 /nfs/dbraw/zinc/24/67/50/444246750.db2.gz ZQRANIVGIIPFEH-QGZVFWFLSA-N 2 0 347.459 1.295 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000290211855 444254566 /nfs/dbraw/zinc/25/45/66/444254566.db2.gz SDLHJOZOEOFTNJ-ROUUACIJSA-N 2 0 330.476 1.761 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000290376799 444273628 /nfs/dbraw/zinc/27/36/28/444273628.db2.gz BSJQBVYIXSXSBR-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000290024652 444232422 /nfs/dbraw/zinc/23/24/22/444232422.db2.gz RJIZZWROAMIIAU-RVKKMQEKSA-N 2 0 333.476 1.754 20 0 EDADRP CC(C)CN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1CC1 ZINC000303338796 444236897 /nfs/dbraw/zinc/23/68/97/444236897.db2.gz YLJGPACFEOIQDE-INIZCTEOSA-N 2 0 339.524 1.658 20 0 EDADRP CCO[C@H](C)c1noc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000303870254 444237787 /nfs/dbraw/zinc/23/77/87/444237787.db2.gz QBHJBLYTMKEUNS-UONOGXRCSA-N 2 0 340.468 1.692 20 0 EDADRP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[NH+]1CCCC1 ZINC000577266476 321638026 /nfs/dbraw/zinc/63/80/26/321638026.db2.gz QRSYTQWJUGJORD-GOEBONIOSA-N 2 0 325.522 1.804 20 0 EDADRP Cc1cc(N2CCC([NH2+]Cc3cn4cccnc4n3)CC2)nc(C)n1 ZINC000297663644 444315416 /nfs/dbraw/zinc/31/54/16/444315416.db2.gz NZTZBZRBARATFG-UHFFFAOYSA-N 2 0 337.431 1.895 20 0 EDADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)c1cccc(C[NH+]2CCCC2)c1 ZINC000577674701 321672171 /nfs/dbraw/zinc/67/21/71/321672171.db2.gz SSJZSUIKBQFJTM-HXUWFJFHSA-N 2 0 343.471 1.469 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310347771 444291155 /nfs/dbraw/zinc/29/11/55/444291155.db2.gz OLHJMDFEDGGVNP-PKOBYXMFSA-N 2 0 331.460 1.251 20 0 EDADRP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426398 444291734 /nfs/dbraw/zinc/29/17/34/444291734.db2.gz PDONYXNHBNXGQC-WBVHZDCISA-N 2 0 331.460 1.392 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000578010843 321707034 /nfs/dbraw/zinc/70/70/34/321707034.db2.gz ADAAFUNHNIDJHZ-LNCBFAARSA-N 2 0 336.455 1.944 20 0 EDADRP COc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc(OC)c1O ZINC000323813804 444346560 /nfs/dbraw/zinc/34/65/60/444346560.db2.gz BPYWOSKQEIBIOS-UHFFFAOYSA-N 2 0 337.464 1.525 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(F)c1 ZINC000339977044 444347426 /nfs/dbraw/zinc/34/74/26/444347426.db2.gz RYCRYVWKBQCCTI-JKSUJKDBSA-N 2 0 339.480 1.982 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000578331570 321758623 /nfs/dbraw/zinc/75/86/23/321758623.db2.gz CBXOHFRJMDLQGU-YJBOKZPZSA-N 2 0 345.491 1.948 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000578737595 321821587 /nfs/dbraw/zinc/82/15/87/321821587.db2.gz KPTNSWUHXLUYKH-HXUWFJFHSA-N 2 0 327.472 1.580 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000337816194 444420561 /nfs/dbraw/zinc/42/05/61/444420561.db2.gz QSRHCPRRXGWBCY-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC4(CC[NH2+]4)CC3)ccc21 ZINC000579956476 321991396 /nfs/dbraw/zinc/99/13/96/321991396.db2.gz GTBUJYPBBXSPSU-UHFFFAOYSA-N 2 0 326.444 1.958 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC[C@H]1c1ccc(F)cc1 ZINC000580324681 322037792 /nfs/dbraw/zinc/03/77/92/322037792.db2.gz BKEXHBNDKADPBO-NOCIGQNYSA-N 2 0 331.435 1.859 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)C1 ZINC000580329187 322038400 /nfs/dbraw/zinc/03/84/00/322038400.db2.gz OFYNEIXBBGGJFP-VXGBXAGGSA-N 2 0 333.404 1.103 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000580659082 322079335 /nfs/dbraw/zinc/07/93/35/322079335.db2.gz QGUAKWOZKRBGPL-UHFFFAOYSA-N 2 0 332.448 1.752 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873130 322105936 /nfs/dbraw/zinc/10/59/36/322105936.db2.gz QDJGWJCXJWLPKK-IYWMVGAKSA-N 2 0 329.488 1.838 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000581258529 322156474 /nfs/dbraw/zinc/15/64/74/322156474.db2.gz DZKZHPMDCRVRBF-KRWDZBQOSA-N 2 0 344.459 1.170 20 0 EDADRP C[C@@H](c1cccnc1)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000332523244 444518327 /nfs/dbraw/zinc/51/83/27/444518327.db2.gz AVWDIJPVTFGGOS-HLLBOEOZSA-N 2 0 331.464 1.610 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)ncn1 ZINC000329298343 444525761 /nfs/dbraw/zinc/52/57/61/444525761.db2.gz UHAXONHTWQIRJW-GFOFROLCSA-N 2 0 331.464 1.890 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000338240876 444583209 /nfs/dbraw/zinc/58/32/09/444583209.db2.gz YRNIYVDSESCDJP-IBGZPJMESA-N 2 0 335.467 1.793 20 0 EDADRP CCC[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC000343851353 444628041 /nfs/dbraw/zinc/62/80/41/444628041.db2.gz OXGHPKNDTJNTNZ-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000333011002 444628724 /nfs/dbraw/zinc/62/87/24/444628724.db2.gz SHQPOHSLLAPDGP-IKGGRYGDSA-N 2 0 338.496 1.100 20 0 EDADRP CN(CC[N@H+](C)Cc1ccc2c(c1)nnn2C)C1CC[NH+](C)CC1 ZINC000340951235 444593287 /nfs/dbraw/zinc/59/32/87/444593287.db2.gz BFALLISMVCOMNP-UHFFFAOYSA-N 2 0 330.480 1.426 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332974124 444617557 /nfs/dbraw/zinc/61/75/57/444617557.db2.gz DXIWMFXHMUYLHA-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000332976314 444618034 /nfs/dbraw/zinc/61/80/34/444618034.db2.gz KQBYOHNFILXJED-JKSUJKDBSA-N 2 0 346.479 1.898 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332995717 444625265 /nfs/dbraw/zinc/62/52/65/444625265.db2.gz FUGRSLBKMCPIOX-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341057044 444656427 /nfs/dbraw/zinc/65/64/27/444656427.db2.gz NOIKOJWOHCHKBW-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000333472035 444674574 /nfs/dbraw/zinc/67/45/74/444674574.db2.gz AKPVTGKTDQJZGG-UIJHXXCUSA-N 2 0 334.508 1.240 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCCO1 ZINC000341021287 444636505 /nfs/dbraw/zinc/63/65/05/444636505.db2.gz SUQNUEARYRYIGV-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP OC[C@@H]1CCCCN1c1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ncn1 ZINC000333895184 444711396 /nfs/dbraw/zinc/71/13/96/444711396.db2.gz YCOCVGDFKVYUIZ-BBWFWOEESA-N 2 0 345.491 1.654 20 0 EDADRP COC[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCOCC1 ZINC000343991509 444714265 /nfs/dbraw/zinc/71/42/65/444714265.db2.gz QLIPGGKRZHVFGE-KRWDZBQOSA-N 2 0 337.464 1.553 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+](C)C1CC1 ZINC000341124956 444685756 /nfs/dbraw/zinc/68/57/56/444685756.db2.gz LHNGQRKZSLLNMS-KRWDZBQOSA-N 3 0 339.528 1.138 20 0 EDADRP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641886 444687358 /nfs/dbraw/zinc/68/73/58/444687358.db2.gz XKFQHDLGNSVDJV-MNOVXSKESA-N 2 0 333.358 1.471 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333682155 444689812 /nfs/dbraw/zinc/68/98/12/444689812.db2.gz ABDDFGWLSYEISW-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C[C@H](C)[N@H+]1C ZINC000334000395 444742029 /nfs/dbraw/zinc/74/20/29/444742029.db2.gz REZYDXHKZCOUGO-FSDCSDTHSA-N 2 0 338.496 1.098 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875003 444820652 /nfs/dbraw/zinc/82/06/52/444820652.db2.gz ZSHLVLVZKJNGFA-DLBZAZTESA-N 2 0 343.537 1.322 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)C2(N3CCOCC3)CCC2)C1 ZINC000342756450 444850798 /nfs/dbraw/zinc/85/07/98/444850798.db2.gz RWVCPVAWYIBEIC-UHFFFAOYSA-N 2 0 343.471 1.584 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000344237791 444856186 /nfs/dbraw/zinc/85/61/86/444856186.db2.gz OPPBATQKGIRHQL-BZUAXINKSA-N 2 0 326.485 1.125 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnc(C(C)(C)C)nc1)C(=O)NCC[NH+](C)C ZINC000342768459 444858081 /nfs/dbraw/zinc/85/80/81/444858081.db2.gz LFUXTQFWSUJCSN-INIZCTEOSA-N 2 0 349.523 1.956 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000342781226 444864262 /nfs/dbraw/zinc/86/42/62/444864262.db2.gz NGAGBVSLCCTWBP-BEFAXECRSA-N 2 0 345.487 1.457 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000341546476 444886384 /nfs/dbraw/zinc/88/63/84/444886384.db2.gz IDMKEZYGURRERI-ZACQAIPSSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000343039495 445022669 /nfs/dbraw/zinc/02/26/69/445022669.db2.gz JXUTYRPQNVAELW-MOPGFXCFSA-N 2 0 344.503 1.576 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCN(c3ccccc3)CC2)CC1 ZINC000339033923 444999227 /nfs/dbraw/zinc/99/92/27/444999227.db2.gz PCHVPFFLIXLUGF-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000344495317 445010603 /nfs/dbraw/zinc/01/06/03/445010603.db2.gz YLVUGUCPJOTTGJ-KRWDZBQOSA-N 2 0 347.507 1.590 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000339223560 445098936 /nfs/dbraw/zinc/09/89/36/445098936.db2.gz BVHCEURSFVNIQO-HZPDHXFCSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H](C)O1 ZINC000339249553 445114901 /nfs/dbraw/zinc/11/49/01/445114901.db2.gz OQQVXJDPWPOZFV-HUUCEWRRSA-N 2 0 334.464 1.372 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000339825278 445171960 /nfs/dbraw/zinc/17/19/60/445171960.db2.gz ZLOOQTBALJFMGM-CVEARBPZSA-N 2 0 328.501 1.373 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)CC1 ZINC000339460815 445144121 /nfs/dbraw/zinc/14/41/21/445144121.db2.gz JRPAMTJODBEOLZ-IEBWSBKVSA-N 2 0 349.519 1.820 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000346182825 445207783 /nfs/dbraw/zinc/20/77/83/445207783.db2.gz DXXYGNJBGGBHPH-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343397057 445215500 /nfs/dbraw/zinc/21/55/00/445215500.db2.gz ISDLRWTWCKMINH-ZHALLVOQSA-N 2 0 349.523 1.361 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H]1CCO[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000343402942 445216377 /nfs/dbraw/zinc/21/63/77/445216377.db2.gz MRMMVWNDFNAPBD-NZSAHSFTSA-N 2 0 349.523 1.359 20 0 EDADRP C[C@H](CN(C)[C@H]1CC[N@@H+](C2CC2)C1)C[NH+](C)[C@@H]1CCN(C2CC2)C1 ZINC000346645873 445221267 /nfs/dbraw/zinc/22/12/67/445221267.db2.gz QEQNLFVCGWTMCH-PDFPEKILSA-N 2 0 334.552 1.960 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351719707 445291040 /nfs/dbraw/zinc/29/10/40/445291040.db2.gz SEKMWGYZDGMGAR-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccncc1C[NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000354561882 445294981 /nfs/dbraw/zinc/29/49/81/445294981.db2.gz FREWVDUNJZDITK-LJQANCHMSA-N 2 0 340.471 1.769 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCOCC2)[C@H](C)C1 ZINC000359680810 445372472 /nfs/dbraw/zinc/37/24/72/445372472.db2.gz QQDZABDINMRBAU-SQNIBIBYSA-N 2 0 327.513 1.434 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2Cn2ccnc2C)CC1 ZINC000362482541 445405608 /nfs/dbraw/zinc/40/56/08/445405608.db2.gz GXPRXIQIIUAQIY-KRWDZBQOSA-N 2 0 333.480 1.256 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000362523835 445423222 /nfs/dbraw/zinc/42/32/22/445423222.db2.gz GNXHLOMEAIGYPM-UHFFFAOYSA-N 2 0 343.874 1.959 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000357093458 445424450 /nfs/dbraw/zinc/42/44/50/445424450.db2.gz YNOHPILEEPZFBM-UHFFFAOYSA-N 2 0 325.840 1.463 20 0 EDADRP CC[C@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000349007919 445474040 /nfs/dbraw/zinc/47/40/40/445474040.db2.gz VQXKONSHFGKIER-QGZVFWFLSA-N 2 0 331.460 1.318 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOC1C[NH2+]C1 ZINC000349007012 445474193 /nfs/dbraw/zinc/47/41/93/445474193.db2.gz UVWMYSHRKTUZJO-KRWDZBQOSA-N 2 0 331.460 1.345 20 0 EDADRP CC[C@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)[NH+](CC)CC ZINC000359799204 445434471 /nfs/dbraw/zinc/43/44/71/445434471.db2.gz PZCKOPNNONZGFJ-GOSISDBHSA-N 2 0 349.523 1.926 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000352013486 445438546 /nfs/dbraw/zinc/43/85/46/445438546.db2.gz JDMQRIRRKWHCGR-QGZVFWFLSA-N 2 0 335.448 1.801 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000355418733 445459373 /nfs/dbraw/zinc/45/93/73/445459373.db2.gz LGQAUOHFESZBQO-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP CCc1nnsc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000357161356 445460933 /nfs/dbraw/zinc/46/09/33/445460933.db2.gz WFQJFTBJLJLDIS-ZDUSSCGKSA-N 2 0 339.509 1.589 20 0 EDADRP CCc1nnsc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000357161354 445461207 /nfs/dbraw/zinc/46/12/07/445461207.db2.gz WFQJFTBJLJLDIS-CYBMUJFWSA-N 2 0 339.509 1.589 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000362723994 445519341 /nfs/dbraw/zinc/51/93/41/445519341.db2.gz OWBOXOIMTMZULA-YJBOKZPZSA-N 2 0 333.476 1.483 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000359914589 445485983 /nfs/dbraw/zinc/48/59/83/445485983.db2.gz UWSNKRNDAHCWMS-HOTGVXAUSA-N 2 0 328.501 1.253 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000362672538 445492072 /nfs/dbraw/zinc/49/20/72/445492072.db2.gz RIUOSCHKKJKKGK-GOEBONIOSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@](O)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000362686458 445499999 /nfs/dbraw/zinc/49/99/99/445499999.db2.gz AAGWOWNPMBKALN-LJQANCHMSA-N 2 0 346.475 1.261 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000360117135 445576053 /nfs/dbraw/zinc/57/60/53/445576053.db2.gz BTJRSFZBKKQLTC-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@H]21 ZINC000353446750 445606090 /nfs/dbraw/zinc/60/60/90/445606090.db2.gz KOHADQOWGYEKJE-OWCLPIDISA-N 2 0 348.491 1.704 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362923136 445611419 /nfs/dbraw/zinc/61/14/19/445611419.db2.gz QRUXYLCXKPAXQX-CQSZACIVSA-N 2 0 332.423 1.984 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2cc(O)cc(F)c2)CC1 ZINC000349673036 445642629 /nfs/dbraw/zinc/64/26/29/445642629.db2.gz VPWLKMRVLPHLOS-UHFFFAOYSA-N 2 0 325.428 1.011 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000349663593 445639467 /nfs/dbraw/zinc/63/94/67/445639467.db2.gz DUDIUOCEPCPTBB-QGZVFWFLSA-N 2 0 342.553 1.941 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCSC1 ZINC000360259772 445663307 /nfs/dbraw/zinc/66/33/07/445663307.db2.gz ZJCYMCGJOKIWIN-CJNGLKHVSA-N 2 0 326.510 1.207 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356224642 445684822 /nfs/dbraw/zinc/68/48/22/445684822.db2.gz NUTDUMGEXVCQTP-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356257329 445703550 /nfs/dbraw/zinc/70/35/50/445703550.db2.gz CMUJMIUQTCEYSM-OAHLLOKOSA-N 2 0 325.497 1.914 20 0 EDADRP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)OC ZINC000360594128 445715596 /nfs/dbraw/zinc/71/55/96/445715596.db2.gz CGQODLZVKCZSNB-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[NH+](CC)CC ZINC000353779037 445751348 /nfs/dbraw/zinc/75/13/48/445751348.db2.gz IACRMMWBMZXERI-SJORKVTESA-N 2 0 326.529 1.497 20 0 EDADRP C[NH+](C)[C@]1(C(=O)N2CC[NH+](C3CCCC3)CC2)CCCSC1 ZINC000361226001 445755168 /nfs/dbraw/zinc/75/51/68/445755168.db2.gz AGYJHEYQPUVJJM-QGZVFWFLSA-N 2 0 325.522 1.901 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1CC[NH+](C)CC1 ZINC000358749675 445756970 /nfs/dbraw/zinc/75/69/70/445756970.db2.gz GSUXSBCXMBHLCC-CQSZACIVSA-N 2 0 339.505 1.943 20 0 EDADRP Cn1ccnc1CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363402968 445789303 /nfs/dbraw/zinc/78/93/03/445789303.db2.gz UDLFWPUHHYEHPM-MRXNPFEDSA-N 2 0 342.447 1.527 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000358828549 445797327 /nfs/dbraw/zinc/79/73/27/445797327.db2.gz OTRJEIVFDRYEEB-OAHLLOKOSA-N 2 0 340.512 1.022 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684783 445876208 /nfs/dbraw/zinc/87/62/08/445876208.db2.gz AWVWCYFABKFQDB-MAUKXSAKSA-N 2 0 334.508 1.146 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000354002615 445848382 /nfs/dbraw/zinc/84/83/82/445848382.db2.gz OGIVDGPSRWWZQI-HNNXBMFYSA-N 2 0 332.448 1.475 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000361804262 445958905 /nfs/dbraw/zinc/95/89/05/445958905.db2.gz PMJTVYJVYCGNHJ-BRWVUGGUSA-N 3 0 337.512 1.086 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000351018023 445971670 /nfs/dbraw/zinc/97/16/70/445971670.db2.gz TUYJNXYRNGHQAV-ARFHVFGLSA-N 2 0 340.512 1.164 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369210226 445996487 /nfs/dbraw/zinc/99/64/87/445996487.db2.gz UUGWJBLSTHQZHR-GOSISDBHSA-N 2 0 347.507 1.935 20 0 EDADRP COc1cc(F)c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000361888240 446042009 /nfs/dbraw/zinc/04/20/09/446042009.db2.gz ITGWSMCDKZYSGZ-GFCCVEGCSA-N 2 0 326.412 1.950 20 0 EDADRP O=C(CN1CC[NH+](CCC2CC[NH2+]CC2)CC1)NCc1ccccc1 ZINC000359224300 446053815 /nfs/dbraw/zinc/05/38/15/446053815.db2.gz SBANFZVXGDXYIR-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000583495493 326083510 /nfs/dbraw/zinc/08/35/10/326083510.db2.gz IAFNBNDYNGTTCW-VQTJNVASSA-N 2 0 333.520 1.699 20 0 EDADRP CC[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000583626543 326106220 /nfs/dbraw/zinc/10/62/20/326106220.db2.gz WAHNNIOFOGNUBR-SJORKVTESA-N 2 0 339.455 1.181 20 0 EDADRP CN1CCN(C(=O)C[C@@H](c2ccccc2)C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000583692372 326119997 /nfs/dbraw/zinc/11/99/97/326119997.db2.gz XPBMAGQNLZYXEE-KBPBESRZSA-N 2 0 329.366 1.824 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3CCN(C)[C@H](C)C3)CC2)c1=O ZINC000365154449 446057386 /nfs/dbraw/zinc/05/73/86/446057386.db2.gz IGNZHNUMQSUTPA-GDBMZVCRSA-N 2 0 333.480 1.304 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000584232047 326225544 /nfs/dbraw/zinc/22/55/44/326225544.db2.gz BHQZVYHJKXRGNI-GOSISDBHSA-N 2 0 330.432 1.190 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361931702 446081896 /nfs/dbraw/zinc/08/18/96/446081896.db2.gz YECZRPDZRLVFHD-AWEZNQCLSA-N 2 0 342.443 1.972 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCCCC1 ZINC000351484052 446083581 /nfs/dbraw/zinc/08/35/81/446083581.db2.gz CDYVSJKPRWAOLL-KRWDZBQOSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500242 446106274 /nfs/dbraw/zinc/10/62/74/446106274.db2.gz WWVJQUVULKTSMM-KCITZHQASA-N 2 0 342.487 1.393 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257728 446106684 /nfs/dbraw/zinc/10/66/84/446106684.db2.gz JJEFUZQDUIQQOM-MRXNPFEDSA-N 2 0 349.523 1.081 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000361972960 446118364 /nfs/dbraw/zinc/11/83/64/446118364.db2.gz VDVYLCQDKZAQIX-URLQWDBASA-N 2 0 336.476 1.785 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366344180 446164634 /nfs/dbraw/zinc/16/46/34/446164634.db2.gz DODUAWQXAKYTRI-GPQQEZGISA-N 2 0 335.492 1.524 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000366321725 446149528 /nfs/dbraw/zinc/14/95/28/446149528.db2.gz HYIJBZACALQYOY-DLBZAZTESA-N 2 0 336.524 1.426 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)[C@@H](C)C2)s1 ZINC000366327119 446154408 /nfs/dbraw/zinc/15/44/08/446154408.db2.gz SGHDNDXRZQNNMJ-DCDXPUDHSA-N 2 0 336.505 1.906 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365411883 446195125 /nfs/dbraw/zinc/19/51/25/446195125.db2.gz KWRGJIRJFOTIOE-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)C1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000354454111 446216395 /nfs/dbraw/zinc/21/63/95/446216395.db2.gz KMRQGONCMXZZOT-INIZCTEOSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000373459761 446224771 /nfs/dbraw/zinc/22/47/71/446224771.db2.gz GVWMKLXUQSBZKK-IXDOHACOSA-N 2 0 346.537 1.680 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCn2ccnc21)N1CCOCC1 ZINC000366492496 446236743 /nfs/dbraw/zinc/23/67/43/446236743.db2.gz GJYVIGCMHKKGED-JKSUJKDBSA-N 2 0 349.479 1.417 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000359488848 446254402 /nfs/dbraw/zinc/25/44/02/446254402.db2.gz ZMOIGGCGWBHGIJ-ZWKOTPCHSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000362197875 446257994 /nfs/dbraw/zinc/25/79/94/446257994.db2.gz DKUCUTGRPZGHIN-GUDVDZBRSA-N 2 0 339.524 1.578 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000359545133 446283730 /nfs/dbraw/zinc/28/37/30/446283730.db2.gz PBARLTIVWBVHHD-HRCADAONSA-N 2 0 337.464 1.793 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC000370532749 446320274 /nfs/dbraw/zinc/32/02/74/446320274.db2.gz DPFYYDULERMHET-HNNXBMFYSA-N 2 0 334.464 1.835 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000417286380 446338284 /nfs/dbraw/zinc/33/82/84/446338284.db2.gz DILREVRIDGXVDL-INIZCTEOSA-N 2 0 330.476 1.902 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3CNC(=O)O3)CC2)CC1 ZINC000366781077 446348521 /nfs/dbraw/zinc/34/85/21/446348521.db2.gz REZGSGWBIFAJHN-KRWDZBQOSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417501908 446356013 /nfs/dbraw/zinc/35/60/13/446356013.db2.gz ARSBTIBOPNCLCB-QGZVFWFLSA-N 2 0 348.491 1.563 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516662 446360449 /nfs/dbraw/zinc/36/04/49/446360449.db2.gz OHUZRCFNNVKCDF-AEFFLSMTSA-N 2 0 348.491 1.605 20 0 EDADRP Cc1nc(C)n(C[C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000374298204 446361241 /nfs/dbraw/zinc/36/12/41/446361241.db2.gz SDXFZZWFCLFHMZ-IBGZPJMESA-N 2 0 348.539 1.775 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417532394 446362591 /nfs/dbraw/zinc/36/25/91/446362591.db2.gz VVAJHZZVGFMJHO-YJBOKZPZSA-N 2 0 348.491 1.609 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417831973 446374288 /nfs/dbraw/zinc/37/42/88/446374288.db2.gz SQOJMIIVBROSDW-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000417871422 446375505 /nfs/dbraw/zinc/37/55/05/446375505.db2.gz JLHTXECVNGBUJS-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000417916459 446384616 /nfs/dbraw/zinc/38/46/16/446384616.db2.gz VDADIPSZHWSNCS-HJWJTTGWSA-N 2 0 338.496 1.181 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000365891236 446390691 /nfs/dbraw/zinc/39/06/91/446390691.db2.gz QPSYXJYKWSEFGA-KBAYOESNSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC(C)(C)CCC[NH3+])ccn1 ZINC000417950315 446395471 /nfs/dbraw/zinc/39/54/71/446395471.db2.gz LOQVNOGYWWOIGM-UHFFFAOYSA-N 2 0 337.468 1.339 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951420 446396700 /nfs/dbraw/zinc/39/67/00/446396700.db2.gz NEEAFIJWVFRGFY-SWLSCSKDSA-N 2 0 342.846 1.991 20 0 EDADRP OCCCN1CCC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000423143353 446440354 /nfs/dbraw/zinc/44/03/54/446440354.db2.gz CRSKXSYRXQROJA-XKGZKEIXSA-N 2 0 345.487 1.679 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418163471 446444247 /nfs/dbraw/zinc/44/42/47/446444247.db2.gz DLQJRYXPYWSJHF-INMHGKMJSA-N 2 0 334.464 1.355 20 0 EDADRP Cc1c(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)nnn1C1CC[NH2+]CC1 ZINC000370793000 446445692 /nfs/dbraw/zinc/44/56/92/446445692.db2.gz GCLZYSFGIPNZCS-UHFFFAOYSA-N 2 0 340.431 1.409 20 0 EDADRP CC[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423168661 446445858 /nfs/dbraw/zinc/44/58/58/446445858.db2.gz HOPSCDUWAOLRBV-ZWKOTPCHSA-N 2 0 338.540 1.293 20 0 EDADRP COc1ccc([C@H](NCC[NH+]2CCC(O)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423167775 446446422 /nfs/dbraw/zinc/44/64/22/446446422.db2.gz XDTVBZGWURPZSB-MOPGFXCFSA-N 2 0 333.476 1.535 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417989406 446409432 /nfs/dbraw/zinc/40/94/32/446409432.db2.gz KYSMLSJQVMXAJU-MSOLQXFVSA-N 2 0 346.475 1.882 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006563 446413652 /nfs/dbraw/zinc/41/36/52/446413652.db2.gz MMYCJSJBSAXSSN-LMSBXDPUSA-N 2 0 330.476 1.886 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418009586 446414783 /nfs/dbraw/zinc/41/47/83/446414783.db2.gz FJLOBIJEKXYIDV-UHFFFAOYSA-N 2 0 331.464 1.513 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000418189593 446454194 /nfs/dbraw/zinc/45/41/94/446454194.db2.gz HXMGJUREEZCUHY-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418189696 446454313 /nfs/dbraw/zinc/45/43/13/446454313.db2.gz IGLVUSAAKNITEY-OAHLLOKOSA-N 2 0 335.452 1.045 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420291752 446455923 /nfs/dbraw/zinc/45/59/23/446455923.db2.gz KRMLGZQEHUNAIY-MAUKXSAKSA-N 3 0 332.492 1.465 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cc1 ZINC000420299079 446460950 /nfs/dbraw/zinc/46/09/50/446460950.db2.gz GFSSLIWTQBYIAR-ROUUACIJSA-N 2 0 345.487 1.976 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299864 446461965 /nfs/dbraw/zinc/46/19/65/446461965.db2.gz JPUAOQCVLYPXLJ-KBXCAEBGSA-N 2 0 347.459 1.741 20 0 EDADRP COC(=O)[C@@H](C)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367014370 446463412 /nfs/dbraw/zinc/46/34/12/446463412.db2.gz DUEDVWQKYYEGEX-INIZCTEOSA-N 2 0 339.524 1.924 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(NC(=O)C(C)C)CC2)cc1 ZINC000420302284 446465768 /nfs/dbraw/zinc/46/57/68/446465768.db2.gz JMCAMQISEJUZQJ-INIZCTEOSA-N 2 0 333.476 1.974 20 0 EDADRP Cc1cccc(NC(=O)CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1C ZINC000420303941 446468711 /nfs/dbraw/zinc/46/87/11/446468711.db2.gz OAMFCZMXZCJPRM-GOSISDBHSA-N 2 0 344.503 1.859 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423265973 446469444 /nfs/dbraw/zinc/46/94/44/446469444.db2.gz BMWLMGBVXCXQJI-JGGQBBKZSA-N 2 0 325.478 1.763 20 0 EDADRP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000420309747 446472869 /nfs/dbraw/zinc/47/28/69/446472869.db2.gz FEYFFRHEMWDEJT-QZTJIDSGSA-N 2 0 335.492 1.780 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@@H]2c2nccn2C)cc1 ZINC000420310686 446473782 /nfs/dbraw/zinc/47/37/82/446473782.db2.gz GOYDPNWZLKPCAG-DOTOQJQBSA-N 2 0 329.448 1.118 20 0 EDADRP COC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000423295455 446476224 /nfs/dbraw/zinc/47/62/24/446476224.db2.gz ALKFWEPZIKENKE-IBGZPJMESA-N 2 0 331.460 1.525 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418283501 446482958 /nfs/dbraw/zinc/48/29/58/446482958.db2.gz KNSNPSLGQVCWGQ-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP Brc1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000420323735 446490194 /nfs/dbraw/zinc/49/01/94/446490194.db2.gz URQVLAVAPBURBI-ZDUSSCGKSA-N 2 0 339.281 1.966 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418301874 446491187 /nfs/dbraw/zinc/49/11/87/446491187.db2.gz AJMXIMXOOOUEQK-ZWKOTPCHSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)C1 ZINC000423332654 446491233 /nfs/dbraw/zinc/49/12/33/446491233.db2.gz QWMMJCJPPWAMKI-XYPHTWIQSA-N 2 0 344.459 1.463 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH2+]C[C@@](C)(F)C1)c1ccccc1 ZINC000420324437 446491989 /nfs/dbraw/zinc/49/19/89/446491989.db2.gz BYQYWNFVTLUPMX-SJLPKXTDSA-N 2 0 336.455 1.039 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)[C@]2([NH+](C)C)CCCSC2)C[C@@H]1C ZINC000367059352 446494408 /nfs/dbraw/zinc/49/44/08/446494408.db2.gz DZTMEKFMEHJHOE-UXLLHSPISA-N 2 0 343.537 1.381 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000367061531 446495700 /nfs/dbraw/zinc/49/57/00/446495700.db2.gz HAWSEODCTOISTB-INIZCTEOSA-N 2 0 345.553 1.854 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423370180 446505131 /nfs/dbraw/zinc/50/51/31/446505131.db2.gz UHPSMQNSIXQYMK-PMPSAXMXSA-N 2 0 347.507 1.737 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000423375823 446508610 /nfs/dbraw/zinc/50/86/10/446508610.db2.gz IXKCPAJOHCTQMD-JSGCOSHPSA-N 2 0 346.431 1.483 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340666 446511370 /nfs/dbraw/zinc/51/13/70/446511370.db2.gz NCWLDGKXUBSEIV-HUUCEWRRSA-N 2 0 347.459 1.964 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420343143 446515001 /nfs/dbraw/zinc/51/50/01/446515001.db2.gz REKRZDSVFQAREL-OKILXGFUSA-N 2 0 333.432 1.532 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCCC[NH2+]Cc3cccnc3)[C@H]2C1 ZINC000418324002 446499381 /nfs/dbraw/zinc/49/93/81/446499381.db2.gz GKWBJVFIYNWTHJ-IRXDYDNUSA-N 2 0 331.464 1.297 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000423359157 446499780 /nfs/dbraw/zinc/49/97/80/446499780.db2.gz CRMVVDBICHRBOV-RTXFEEFZSA-N 2 0 328.254 1.859 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)[N@H+](C)C1 ZINC000418480084 446559709 /nfs/dbraw/zinc/55/97/09/446559709.db2.gz CDWYSBSIMRGVJT-COXVUDFISA-N 2 0 334.464 1.567 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423406329 446521540 /nfs/dbraw/zinc/52/15/40/446521540.db2.gz KNDLHJBALREJRE-NILFDRSVSA-N 2 0 325.250 1.996 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000420352840 446531105 /nfs/dbraw/zinc/53/11/05/446531105.db2.gz AYDKPCOKWUUUDS-OAHLLOKOSA-N 2 0 326.462 1.447 20 0 EDADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000433169378 446542343 /nfs/dbraw/zinc/54/23/43/446542343.db2.gz QYRYMJGWXYLKPM-QGZVFWFLSA-N 3 0 346.519 1.826 20 0 EDADRP CN(Cc1nc2ccccc2n1C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433180123 446542949 /nfs/dbraw/zinc/54/29/49/446542949.db2.gz VGXPMNAVNGSTGD-UHFFFAOYSA-N 2 0 343.475 1.735 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)CC1 ZINC000411439902 446544657 /nfs/dbraw/zinc/54/46/57/446544657.db2.gz AITDLKQXIVNSPV-CQSZACIVSA-N 2 0 346.475 1.896 20 0 EDADRP CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420366636 446546766 /nfs/dbraw/zinc/54/67/66/446546766.db2.gz GJASCJVEHYBGNA-UHFFFAOYSA-N 2 0 336.501 1.880 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418604698 446611880 /nfs/dbraw/zinc/61/18/80/446611880.db2.gz YALSUTSGXGXPBH-ZACQAIPSSA-N 3 0 339.528 1.042 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418622656 446620143 /nfs/dbraw/zinc/62/01/43/446620143.db2.gz NJOJAZYADFDXDQ-INIZCTEOSA-N 2 0 327.517 1.029 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433391393 446568804 /nfs/dbraw/zinc/56/88/04/446568804.db2.gz RKBLIVXKQDSUDM-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503477 446570463 /nfs/dbraw/zinc/57/04/63/446570463.db2.gz XVLZFHAPJMTMAU-ZWKOTPCHSA-N 2 0 345.491 1.815 20 0 EDADRP CN(CC1CCN(c2cc[nH+]cc2)CC1)C(=O)NCC1([NH3+])CCC1 ZINC000418506866 446571320 /nfs/dbraw/zinc/57/13/20/446571320.db2.gz HNBSMXORGLHXMN-UHFFFAOYSA-N 2 0 331.464 1.821 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCCc3ccsc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397247 446571835 /nfs/dbraw/zinc/57/18/35/446571835.db2.gz FKGOKZYQGUOWLA-IRXDYDNUSA-N 2 0 348.516 1.901 20 0 EDADRP O=C(CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1)N1CC[NH2+]CC1 ZINC000420398993 446573311 /nfs/dbraw/zinc/57/33/11/446573311.db2.gz HIGUTNSSDGNADC-LJQANCHMSA-N 2 0 345.443 1.320 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418514620 446575311 /nfs/dbraw/zinc/57/53/11/446575311.db2.gz AWYURYRHDZZPEF-GMXABZIVSA-N 2 0 326.391 1.447 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418549847 446589554 /nfs/dbraw/zinc/58/95/54/446589554.db2.gz GACKOQPDQRXRTJ-OQIJWPOYSA-N 2 0 342.487 1.900 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000418556181 446593675 /nfs/dbraw/zinc/59/36/75/446593675.db2.gz JDPCTCYTPTUKIN-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418586628 446603536 /nfs/dbraw/zinc/60/35/36/446603536.db2.gz QKLIPLDZQHZCOK-IXDOHACOSA-N 2 0 337.512 1.068 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CCCC1 ZINC000418588330 446605081 /nfs/dbraw/zinc/60/50/81/446605081.db2.gz HUZNCDCZQUFFML-KRWDZBQOSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418657382 446637455 /nfs/dbraw/zinc/63/74/55/446637455.db2.gz HLJIVSPDOKKPNZ-SOLBZPMBSA-N 2 0 348.491 1.563 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000418756638 446676202 /nfs/dbraw/zinc/67/62/02/446676202.db2.gz YLNIXCCXEIVMND-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000423746732 446676834 /nfs/dbraw/zinc/67/68/34/446676834.db2.gz RKPLVSDYYUKVQN-QZTJIDSGSA-N 2 0 348.466 1.106 20 0 EDADRP O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000423713427 446654530 /nfs/dbraw/zinc/65/45/30/446654530.db2.gz FHCOAQPEYKRFJP-BZSNNMDCSA-N 2 0 335.492 1.335 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](CC)CC2)C12CCCC2 ZINC000411721928 446658349 /nfs/dbraw/zinc/65/83/49/446658349.db2.gz PRXFJFASNRMMBH-IAGOWNOFSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000368042756 446621180 /nfs/dbraw/zinc/62/11/80/446621180.db2.gz OGPKNZXHAYVYPQ-SQNIBIBYSA-N 2 0 325.497 1.188 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CN(C)Cc2ccccc21)CN1CCOCC1 ZINC000371090104 446621704 /nfs/dbraw/zinc/62/17/04/446621704.db2.gz WEGAYJJRAIHWHH-MAUKXSAKSA-N 2 0 346.475 1.441 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418634300 446625696 /nfs/dbraw/zinc/62/56/96/446625696.db2.gz JEOHMJHVGCEBPX-CUSZFKRNSA-N 2 0 328.460 1.561 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCC[NH2+]1 ZINC000418636555 446626661 /nfs/dbraw/zinc/62/66/61/446626661.db2.gz MGPYZWAVXIEECM-WMZOPIPTSA-N 2 0 334.464 1.534 20 0 EDADRP COCC1(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC[NH2+]CC1 ZINC000418650644 446633467 /nfs/dbraw/zinc/63/34/67/446633467.db2.gz WPLUOEUIHSIBBL-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418652087 446634501 /nfs/dbraw/zinc/63/45/01/446634501.db2.gz MKFNDZRWFFLKHI-YFHUEUNASA-N 2 0 330.476 1.936 20 0 EDADRP COc1ccc2c(c1)[nH]nc2NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423765713 446694111 /nfs/dbraw/zinc/69/41/11/446694111.db2.gz ZFAGPFKRESXMHJ-UHFFFAOYSA-N 2 0 331.420 1.713 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418780760 446699462 /nfs/dbraw/zinc/69/94/62/446699462.db2.gz CGEMTRRQRQTLMY-DLBZAZTESA-N 2 0 339.528 1.173 20 0 EDADRP CC(C)(C)[C@@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@@H]1O ZINC000423879007 446738862 /nfs/dbraw/zinc/73/88/62/446738862.db2.gz RTAKSBMBTLUDEM-CVEARBPZSA-N 2 0 325.497 1.445 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CCC[N@@H+]1C ZINC000423932226 446784079 /nfs/dbraw/zinc/78/40/79/446784079.db2.gz NSGXMCPGBVAPQN-IUVQAAGXSA-N 2 0 347.507 1.827 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285697 446743449 /nfs/dbraw/zinc/74/34/49/446743449.db2.gz VQBXTVSAWXCLDM-BZSNNMDCSA-N 2 0 325.497 1.188 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000420835561 446849930 /nfs/dbraw/zinc/84/99/30/446849930.db2.gz GMTNXLPMCSAEGO-INIZCTEOSA-N 2 0 349.479 1.258 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424039646 446828241 /nfs/dbraw/zinc/82/82/41/446828241.db2.gz OWVCFGUZANXMMR-MRXNPFEDSA-N 3 0 332.492 1.470 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000368389322 446831688 /nfs/dbraw/zinc/83/16/88/446831688.db2.gz HHHIEYTWYSXSTK-FUHWJXTLSA-N 2 0 343.475 1.536 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418932989 446809110 /nfs/dbraw/zinc/80/91/10/446809110.db2.gz IFZSRVQTYLGCLQ-XYPWUTKMSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000377007983 446857069 /nfs/dbraw/zinc/85/70/69/446857069.db2.gz RTINMCWBMJWXNU-HVMFNXBNSA-N 2 0 336.524 1.644 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424154053 446859828 /nfs/dbraw/zinc/85/98/28/446859828.db2.gz KZLJTIJHOIJIMJ-QKPAOTATSA-N 2 0 348.495 1.299 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154047 446860059 /nfs/dbraw/zinc/86/00/59/446860059.db2.gz KZLJTIJHOIJIMJ-FZKCQIBNSA-N 2 0 348.495 1.299 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000419004217 446860920 /nfs/dbraw/zinc/86/09/20/446860920.db2.gz QTBWAZJYOWYJIY-UHFFFAOYSA-N 2 0 348.491 1.068 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(N3C[C@H]([NH+]4CCCC4)C[C@@H]3C)C2)CC1 ZINC000377017424 446863333 /nfs/dbraw/zinc/86/33/33/446863333.db2.gz WWPCJMPRETWNPA-IPMKNSEASA-N 2 0 335.540 1.172 20 0 EDADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419042690 446881754 /nfs/dbraw/zinc/88/17/54/446881754.db2.gz HYIZQZVUTYYQJE-WBVHZDCISA-N 2 0 346.475 1.006 20 0 EDADRP O=C(NC1CC1)[C@@H]1CCC[N@@H+]1Cc1cccc(CN2CCOCC2)c1 ZINC000420911393 446883473 /nfs/dbraw/zinc/88/34/73/446883473.db2.gz GKMQQYOUZDLNHF-IBGZPJMESA-N 2 0 343.471 1.762 20 0 EDADRP CC(C)SCCNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000377054650 446890338 /nfs/dbraw/zinc/89/03/38/446890338.db2.gz CEDRVEKLUALUSE-HNNXBMFYSA-N 2 0 342.553 1.938 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCC[N@@H+]1C ZINC000412254830 446911448 /nfs/dbraw/zinc/91/14/48/446911448.db2.gz YRHKHUIUCDRNPO-FVQBIDKESA-N 2 0 325.522 1.803 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)C1CC[NH2+]CC1)CC(C)C ZINC000419127983 446938923 /nfs/dbraw/zinc/93/89/23/446938923.db2.gz UJAUHDXLNILRCK-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419135278 446944629 /nfs/dbraw/zinc/94/46/29/446944629.db2.gz MJCXZBRHNZXTOB-GJZGRUSLSA-N 2 0 342.528 1.301 20 0 EDADRP CC[NH+]1CCC(N2CCCN([C@H](C(N)=O)c3ccccc3)CC2)CC1 ZINC000420977494 446948698 /nfs/dbraw/zinc/94/86/98/446948698.db2.gz IGTMAXSKILAFIK-IBGZPJMESA-N 2 0 344.503 1.705 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000442767016 446959911 /nfs/dbraw/zinc/95/99/11/446959911.db2.gz LWGMZANOPIXPOG-APWZRJJASA-N 2 0 344.503 1.568 20 0 EDADRP CC(C)([NH3+])CC(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000372105096 447003649 /nfs/dbraw/zinc/00/36/49/447003649.db2.gz GPJAHYXPDMMAQH-KRWDZBQOSA-N 2 0 333.476 1.676 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000372105769 447005039 /nfs/dbraw/zinc/00/50/39/447005039.db2.gz QMWPYRKUUDLJSJ-OTWHNJEPSA-N 2 0 345.487 1.676 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)C[C@H]3C)c2cc1OC ZINC000413314956 447135406 /nfs/dbraw/zinc/13/54/06/447135406.db2.gz JNCGRRHBRAWKJL-CYBMUJFWSA-N 2 0 331.416 1.755 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000444846294 447143500 /nfs/dbraw/zinc/14/35/00/447143500.db2.gz HSTAZOKBYBDDSY-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000413329892 447144742 /nfs/dbraw/zinc/14/47/42/447144742.db2.gz AAPZUUPFOKUEOL-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419402271 447152571 /nfs/dbraw/zinc/15/25/71/447152571.db2.gz CBIANSPPMFWZNZ-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000419407157 447156458 /nfs/dbraw/zinc/15/64/58/447156458.db2.gz JRKOXAQGAFCJFH-HUUCEWRRSA-N 2 0 346.475 1.171 20 0 EDADRP Cn1cc([C@H]2C[C@@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000368899714 447188905 /nfs/dbraw/zinc/18/89/05/447188905.db2.gz MTAHLKQTRTVQHI-SJORKVTESA-N 2 0 335.496 1.256 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000455654858 447197109 /nfs/dbraw/zinc/19/71/09/447197109.db2.gz HYZMLLDKIORKGN-UHFFFAOYSA-N 2 0 336.484 1.687 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419480241 447211664 /nfs/dbraw/zinc/21/16/64/447211664.db2.gz MYUMAJUNRIUVTH-OWCLPIDISA-N 2 0 338.496 1.143 20 0 EDADRP CN1CCc2ncnc(NC[C@@H]3CC[N@H+](C)[C@H]3c3cccnc3)c2C1 ZINC000372595823 447171658 /nfs/dbraw/zinc/17/16/58/447171658.db2.gz UFKYJODMTPDFCS-YJBOKZPZSA-N 2 0 338.459 1.964 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000372737119 447259116 /nfs/dbraw/zinc/25/91/16/447259116.db2.gz DLMSEMPTIHHLAF-SJORKVTESA-N 2 0 339.528 1.137 20 0 EDADRP CO[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379247373 447451569 /nfs/dbraw/zinc/45/15/69/447451569.db2.gz ZIJRXBPZPMXNRK-BHIYHBOVSA-N 2 0 345.487 1.954 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)ccc1C[NH+](C)C ZINC000415509602 447487922 /nfs/dbraw/zinc/48/79/22/447487922.db2.gz WXALWDUYLHDBLG-KRWDZBQOSA-N 2 0 348.491 1.827 20 0 EDADRP O=C(C[NH2+]CC1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390955953 447508493 /nfs/dbraw/zinc/50/84/93/447508493.db2.gz YOJHGFWQOONUTR-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000391026396 447510033 /nfs/dbraw/zinc/51/00/33/447510033.db2.gz SJFIXODMLUXMRZ-HKUYNNGSSA-N 2 0 344.503 1.309 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458759163 447473314 /nfs/dbraw/zinc/47/33/14/447473314.db2.gz CTGVRXAJLLXXGZ-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]CC1)C1([NH+]2CCOCC2)CCCC1 ZINC000427280424 447575123 /nfs/dbraw/zinc/57/51/23/447575123.db2.gz KAZQEUVQXHEMEX-IRXDYDNUSA-N 2 0 337.508 1.916 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+]1CCCO ZINC000457538401 447591609 /nfs/dbraw/zinc/59/16/09/447591609.db2.gz ZFQGMSUJAIHXAL-MRXNPFEDSA-N 2 0 326.485 1.008 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457515697 447584326 /nfs/dbraw/zinc/58/43/26/447584326.db2.gz CLBRTKLZDNWNPS-NXOAAHMSSA-N 2 0 335.492 1.476 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000419993372 447533601 /nfs/dbraw/zinc/53/36/01/447533601.db2.gz KFPVBKXZOOYRMS-CQSZACIVSA-N 2 0 340.512 1.199 20 0 EDADRP O=C1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCCN1 ZINC000397706133 447551748 /nfs/dbraw/zinc/55/17/48/447551748.db2.gz XJYNGCYKUBIZAB-KRWDZBQOSA-N 2 0 331.460 1.272 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028100 447554391 /nfs/dbraw/zinc/55/43/91/447554391.db2.gz MMDJFDGTMJZSAK-SXLOBPIMSA-N 2 0 349.519 1.426 20 0 EDADRP CC1CC[NH+](CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000427154696 447554643 /nfs/dbraw/zinc/55/46/43/447554643.db2.gz JAJJQTGZFRENQL-GOSISDBHSA-N 2 0 337.508 1.822 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)[NH+](C)C)c1 ZINC000407338657 447613985 /nfs/dbraw/zinc/61/39/85/447613985.db2.gz VFPWRMRGZSGNHH-SQNIBIBYSA-N 2 0 331.460 1.945 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000457692413 447620009 /nfs/dbraw/zinc/62/00/09/447620009.db2.gz NPOBCOTVPOTENS-LUKYLMHMSA-N 2 0 340.512 1.203 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420130553 447622021 /nfs/dbraw/zinc/62/20/21/447622021.db2.gz QLVAYAIAFDRWQP-AWEZNQCLSA-N 2 0 334.464 1.123 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908812 447635281 /nfs/dbraw/zinc/63/52/81/447635281.db2.gz FLHAJTWWIYWEBF-HOTGVXAUSA-N 2 0 343.512 1.878 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC2(CC[NH2+]2)CC1)Cc1ccc(F)cc1 ZINC000422603449 447665545 /nfs/dbraw/zinc/66/55/45/447665545.db2.gz LIXDEIVALFDCSJ-UHFFFAOYSA-N 2 0 334.439 1.795 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048771 447708526 /nfs/dbraw/zinc/70/85/26/447708526.db2.gz OSISOZAZXKIDGT-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP COCC1(CNC(=O)NCC2([NH+](C)C)CCCC2)CC[NH2+]CC1 ZINC000416812721 447689548 /nfs/dbraw/zinc/68/95/48/447689548.db2.gz DZMOEBFDQGAXTP-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+])CC(C)C ZINC000416944695 447719932 /nfs/dbraw/zinc/71/99/32/447719932.db2.gz DKSIUGUIRPXNDN-IXDOHACOSA-N 2 0 342.528 1.891 20 0 EDADRP COc1ccc([C@H](NCCN2CCOC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422710567 447723086 /nfs/dbraw/zinc/72/30/86/447723086.db2.gz GBVNSDIJQCOURC-SNRMKQJTSA-N 2 0 333.476 1.799 20 0 EDADRP COCCS(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000429428720 447748537 /nfs/dbraw/zinc/74/85/37/447748537.db2.gz USULHSCXRDKXCI-WMLDXEAASA-N 2 0 340.489 1.537 20 0 EDADRP CC(C)C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422801842 447754234 /nfs/dbraw/zinc/75/42/34/447754234.db2.gz GGLGGTWKIHBHAA-NCXUSEDFSA-N 2 0 339.524 1.480 20 0 EDADRP CC(C)C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)N1CCOCC1 ZINC000422801840 447754520 /nfs/dbraw/zinc/75/45/20/447754520.db2.gz GGLGGTWKIHBHAA-AKHDSKFASA-N 2 0 339.524 1.480 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000422802097 447754567 /nfs/dbraw/zinc/75/45/67/447754567.db2.gz AWDFGQNUKUTBIR-KBXCAEBGSA-N 2 0 347.484 1.425 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CCC[NH+](CCCO)C1)C1CCCC1 ZINC000458335734 447772750 /nfs/dbraw/zinc/77/27/50/447772750.db2.gz LGSSONOPFUJRMO-HNNXBMFYSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458340139 447773054 /nfs/dbraw/zinc/77/30/54/447773054.db2.gz JXBMHEZRNFZUIG-BBWFWOEESA-N 2 0 340.512 1.395 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430562311 447779520 /nfs/dbraw/zinc/77/95/20/447779520.db2.gz QOSCXMPDVXZJLC-HZPDHXFCSA-N 2 0 325.497 1.996 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(C(=O)NC)c2)CC1 ZINC000430579890 447781795 /nfs/dbraw/zinc/78/17/95/447781795.db2.gz ZOSZAWBWHREKOR-AWEZNQCLSA-N 2 0 346.475 1.695 20 0 EDADRP CC[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422963540 447782396 /nfs/dbraw/zinc/78/23/96/447782396.db2.gz GFNORDDHXXBFIC-SLFFLAALSA-N 2 0 331.504 1.916 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000430593670 447782551 /nfs/dbraw/zinc/78/25/51/447782551.db2.gz FFVHQTLYHKDLHU-INIZCTEOSA-N 2 0 347.459 1.264 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(OC)c(O)c2)CC[NH2+]CC1 ZINC000422975681 447785770 /nfs/dbraw/zinc/78/57/70/447785770.db2.gz UABMMXYGGSLBPQ-CYBMUJFWSA-N 2 0 336.432 1.812 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000423033500 447795488 /nfs/dbraw/zinc/79/54/88/447795488.db2.gz OMQPWVJTFNRXEQ-MNEFBYGVSA-N 2 0 333.476 1.110 20 0 EDADRP Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000451983349 447795758 /nfs/dbraw/zinc/79/57/58/447795758.db2.gz UQZMNLKTDCEIDL-GJZGRUSLSA-N 2 0 348.491 1.355 20 0 EDADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)cc1F ZINC000423095596 447803694 /nfs/dbraw/zinc/80/36/94/447803694.db2.gz FRRPLIGXKWOZPU-GFCCVEGCSA-N 2 0 349.859 1.489 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423103436 447804955 /nfs/dbraw/zinc/80/49/55/447804955.db2.gz AKZHDTYYSVUJKG-CVEARBPZSA-N 2 0 335.448 1.010 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637484 447806200 /nfs/dbraw/zinc/80/62/00/447806200.db2.gz WQUUJEDEJSWFQT-SJLPKXTDSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)c2ccccc2C[NH+](C)C)CCCO1 ZINC000487645272 447835689 /nfs/dbraw/zinc/83/56/89/447835689.db2.gz WCACJUZSOXYFEZ-INIZCTEOSA-N 2 0 333.476 1.979 20 0 EDADRP Cn1ncc(Br)c1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000487308241 447829134 /nfs/dbraw/zinc/82/91/34/447829134.db2.gz STWDHNNEPWONLV-LBPRGKRZSA-N 2 0 345.285 1.509 20 0 EDADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCN(S(C)(=O)=O)CC1 ZINC000575874868 447918852 /nfs/dbraw/zinc/91/88/52/447918852.db2.gz KSRCTDCMJZMZRP-UHFFFAOYSA-N 2 0 337.489 1.188 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814456 447963802 /nfs/dbraw/zinc/96/38/02/447963802.db2.gz GBFBKKIVVGQGAJ-HKUYNNGSSA-N 2 0 331.460 1.224 20 0 EDADRP CC(=O)c1cccc(O[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000530880538 447976656 /nfs/dbraw/zinc/97/66/56/447976656.db2.gz UBALACVEZHQAHN-MRXNPFEDSA-N 2 0 349.475 1.608 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)NCC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000570425001 448011850 /nfs/dbraw/zinc/01/18/50/448011850.db2.gz LESLQNSRGWQQKE-QGZVFWFLSA-N 2 0 345.491 1.156 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000570630048 448038384 /nfs/dbraw/zinc/03/83/84/448038384.db2.gz GSBIAAIPZARGRW-YJBOKZPZSA-N 2 0 346.475 1.492 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531303414 448059813 /nfs/dbraw/zinc/05/98/13/448059813.db2.gz HDJZPAKUXRLRBX-QKLQHJQFSA-N 2 0 345.487 1.612 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000576558643 448081524 /nfs/dbraw/zinc/08/15/24/448081524.db2.gz IJGUKPHOUDCVTC-MRXNPFEDSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000531482903 448091517 /nfs/dbraw/zinc/09/15/17/448091517.db2.gz QZYPUDWLBNSNIF-SYNHAJSKSA-N 2 0 343.471 1.365 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)CC2)C1 ZINC000576637907 448102970 /nfs/dbraw/zinc/10/29/70/448102970.db2.gz KGNDLMMUOAMFPS-QYZOEREBSA-N 2 0 343.471 1.446 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C1=CC[N@H+](C)CC1 ZINC000576647850 448106461 /nfs/dbraw/zinc/10/64/61/448106461.db2.gz HFNINJUCKZDYSP-RHSMWYFYSA-N 2 0 337.533 1.971 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000571149345 448111051 /nfs/dbraw/zinc/11/10/51/448111051.db2.gz WCALBRNEGMACPX-QAPCUYQASA-N 2 0 328.460 1.726 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000576466043 448063247 /nfs/dbraw/zinc/06/32/47/448063247.db2.gz MBVGLRKELYIIGT-LJQANCHMSA-N 2 0 327.428 1.748 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C[C@H](C)O1 ZINC000577052464 448200091 /nfs/dbraw/zinc/20/00/91/448200091.db2.gz GTIKLTIGZAFQMA-NBMJBFSESA-N 2 0 347.503 1.821 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000514932262 448227749 /nfs/dbraw/zinc/22/77/49/448227749.db2.gz FLQKCECZEUVXNS-ZWKOTPCHSA-N 2 0 335.492 1.208 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000582409536 448228683 /nfs/dbraw/zinc/22/86/83/448228683.db2.gz PVTHRMMXWFWZKX-IXDOHACOSA-N 2 0 338.496 1.031 20 0 EDADRP CCO[C@@H](CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000577216143 448238306 /nfs/dbraw/zinc/23/83/06/448238306.db2.gz GELMBQUJQWHFED-ROUUACIJSA-N 2 0 327.513 1.170 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCCC1 ZINC000514849271 448212884 /nfs/dbraw/zinc/21/28/84/448212884.db2.gz RAZFNIPUVMHOSV-WBVHZDCISA-N 2 0 346.475 1.835 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000532348307 448242446 /nfs/dbraw/zinc/24/24/46/448242446.db2.gz MKCBHBOELUYAOD-FUHWJXTLSA-N 2 0 349.523 1.033 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000515664427 448342008 /nfs/dbraw/zinc/34/20/08/448342008.db2.gz AKABBRMGJWCIBM-INIZCTEOSA-N 2 0 345.487 1.660 20 0 EDADRP Cc1cncn1CC(=O)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000527719086 448344059 /nfs/dbraw/zinc/34/40/59/448344059.db2.gz GBOIPMYPCKRMBN-KRWDZBQOSA-N 2 0 328.416 1.381 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000577731586 448372233 /nfs/dbraw/zinc/37/22/33/448372233.db2.gz IARCIXBNCKMNKJ-CQSZACIVSA-N 2 0 343.406 1.845 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3cn(CCC[NH3+])nn3)C2)CC1 ZINC000572398833 448368254 /nfs/dbraw/zinc/36/82/54/448368254.db2.gz FTURIQUNIXJSEN-INIZCTEOSA-N 2 0 348.495 1.211 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)/C=C\c1ccccc1 ZINC000493089093 448369353 /nfs/dbraw/zinc/36/93/53/448369353.db2.gz IPDPRDCVQJAKOJ-GLZCGUJJSA-N 2 0 331.460 1.548 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000582894670 448370672 /nfs/dbraw/zinc/37/06/72/448370672.db2.gz AMVVSVBHLBETGJ-NXHRZFHOSA-N 2 0 346.475 1.409 20 0 EDADRP COCC1(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC[NH2+]CC1 ZINC000577843194 448399041 /nfs/dbraw/zinc/39/90/41/448399041.db2.gz LNWQQYWPWNHNLK-HNNXBMFYSA-N 2 0 340.512 1.422 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577843588 448401150 /nfs/dbraw/zinc/40/11/50/448401150.db2.gz JZNXAPDTGXGSAE-OKZBNKHCSA-N 2 0 330.476 1.588 20 0 EDADRP C[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cnc2ccccc21 ZINC000533505101 448412437 /nfs/dbraw/zinc/41/24/37/448412437.db2.gz MEMKNZJGOXUOJT-HNNXBMFYSA-N 2 0 331.464 1.549 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000578335829 448520426 /nfs/dbraw/zinc/52/04/26/448520426.db2.gz SGHAQRBASBKPFL-MRXNPFEDSA-N 2 0 333.476 1.975 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000578338105 448522804 /nfs/dbraw/zinc/52/28/04/448522804.db2.gz LBNQDPSAVGLVGC-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H](OC[C@@H](O)C[NH2+]C[C@H](O)CN(C)C)c1ccc(Cl)cc1 ZINC000578358653 448527498 /nfs/dbraw/zinc/52/74/98/448527498.db2.gz HAZVWHNZBCHWGE-RCBQFDQVSA-N 2 0 330.856 1.291 20 0 EDADRP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000517376083 448577295 /nfs/dbraw/zinc/57/72/95/448577295.db2.gz HIVYKGPSBAXNFS-OAGGEKHMSA-N 2 0 331.464 1.155 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000517172146 448546514 /nfs/dbraw/zinc/54/65/14/448546514.db2.gz DNUPUWOZPMTBMP-KGLIPLIRSA-N 2 0 328.416 1.683 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000584769626 448624440 /nfs/dbraw/zinc/62/44/40/448624440.db2.gz VLHGVJGVRQMVEX-ROUUACIJSA-N 2 0 346.475 1.420 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000573258253 448583155 /nfs/dbraw/zinc/58/31/55/448583155.db2.gz WEJQZFPLBCRFQR-IBGZPJMESA-N 2 0 331.460 1.258 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000573485274 448638415 /nfs/dbraw/zinc/63/84/15/448638415.db2.gz KXUVRNLMDRKUCB-KSZLIROESA-N 2 0 328.460 1.362 20 0 EDADRP C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000540144386 448631700 /nfs/dbraw/zinc/63/17/00/448631700.db2.gz ZBLPBPISVPZCCP-KBPBESRZSA-N 2 0 328.478 1.711 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000578767849 448633476 /nfs/dbraw/zinc/63/34/76/448633476.db2.gz ZWCOOPCQPRBRSK-CVEARBPZSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1 ZINC000573457929 448633835 /nfs/dbraw/zinc/63/38/35/448633835.db2.gz GICSFXKSFZTKGN-RLLQIKCJSA-N 2 0 346.519 1.020 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000578996004 448690337 /nfs/dbraw/zinc/69/03/37/448690337.db2.gz FXLCJPSDWDNPGE-LPHOPBHVSA-N 2 0 336.451 1.820 20 0 EDADRP CCn1nc(C)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000585694012 448740209 /nfs/dbraw/zinc/74/02/09/448740209.db2.gz KSRJLWJMZKSAIZ-INIZCTEOSA-N 2 0 335.496 1.700 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000579211941 448740810 /nfs/dbraw/zinc/74/08/10/448740810.db2.gz BPMFTVBQLMYXKV-SJORKVTESA-N 2 0 342.443 1.014 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000567714662 448746910 /nfs/dbraw/zinc/74/69/10/448746910.db2.gz NKFYXSBRALJGIM-HOTGVXAUSA-N 2 0 340.512 1.421 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000519271117 448756008 /nfs/dbraw/zinc/75/60/08/448756008.db2.gz VLHLOSXLOKXPRB-QZTJIDSGSA-N 2 0 328.460 1.600 20 0 EDADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)ncn1 ZINC000574188798 448813277 /nfs/dbraw/zinc/81/32/77/448813277.db2.gz ZQXZNQFPEWDEIV-QSPRXWTASA-N 2 0 333.480 1.350 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000519525055 448777299 /nfs/dbraw/zinc/77/72/99/448777299.db2.gz FCPJDKWFJAVJIU-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000529314006 448818826 /nfs/dbraw/zinc/81/88/26/448818826.db2.gz MGAVCGFQOAPDMU-NJAFHUGGSA-N 2 0 346.475 1.327 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C(C)C)CC1 ZINC000529317195 448819096 /nfs/dbraw/zinc/81/90/96/448819096.db2.gz ZTFISGOHIVYNAL-QGZVFWFLSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529319734 448820986 /nfs/dbraw/zinc/82/09/86/448820986.db2.gz CIRPICXJUXCENY-SZMVWBNQSA-N 2 0 346.475 1.185 20 0 EDADRP CN(C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)S(C)(=O)=O ZINC000579602703 448834093 /nfs/dbraw/zinc/83/40/93/448834093.db2.gz OZJZLABDSAUACP-UHFFFAOYSA-N 2 0 337.489 1.188 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000529362671 448841034 /nfs/dbraw/zinc/84/10/34/448841034.db2.gz YGNMFFGQXYKZRG-HYVNUMGLSA-N 2 0 332.492 1.929 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](CO)C[NH+](C)C ZINC000529390389 448854497 /nfs/dbraw/zinc/85/44/97/448854497.db2.gz YOOHCHJXMJDOCC-CEXWTWQISA-N 2 0 347.503 1.573 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000574581726 448907961 /nfs/dbraw/zinc/90/79/61/448907961.db2.gz PPGZCQXJKNJGKY-KRWDZBQOSA-N 2 0 347.438 1.617 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000569334475 449004816 /nfs/dbraw/zinc/00/48/16/449004816.db2.gz QJNBWTKIYLKUPC-HIFRSBDPSA-N 2 0 340.418 1.803 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccnc2OC2CCCC2)CC1 ZINC000582355604 449072900 /nfs/dbraw/zinc/07/29/00/449072900.db2.gz REPJWYSELVNTEK-QGZVFWFLSA-N 2 0 348.491 1.101 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592956247 449076590 /nfs/dbraw/zinc/07/65/90/449076590.db2.gz FQOCXHFNAPGCEO-CABCVRRESA-N 2 0 347.507 1.960 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000582260952 449050512 /nfs/dbraw/zinc/05/05/12/449050512.db2.gz SZRPYWVWOKCVOU-MSOLQXFVSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000530241085 449092248 /nfs/dbraw/zinc/09/22/48/449092248.db2.gz POLZCADJKPFFCZ-KXBFYZLASA-N 2 0 349.519 1.866 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530277514 449101607 /nfs/dbraw/zinc/10/16/07/449101607.db2.gz WBWKMFCFJYZBPK-ZWKOTPCHSA-N 2 0 337.508 1.913 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCOC(C)(C)C3)CCCCC2)C1 ZINC000595696158 449123507 /nfs/dbraw/zinc/12/35/07/449123507.db2.gz YLUPXDOSRRLWHN-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175753 449185520 /nfs/dbraw/zinc/18/55/20/449185520.db2.gz AFFAOUOJXHCCIA-CGTJXYLNSA-N 2 0 349.523 1.081 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900833 449242072 /nfs/dbraw/zinc/24/20/72/449242072.db2.gz MVIFYSJWOUPKIM-ZBFHGGJFSA-N 2 0 338.496 1.568 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929629 449260237 /nfs/dbraw/zinc/26/02/37/449260237.db2.gz NSCGDTKINSZGSO-HKUYNNGSSA-N 2 0 342.487 1.459 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602095138 449340493 /nfs/dbraw/zinc/34/04/93/449340493.db2.gz DGLQKAXZYKNJPQ-ROUUACIJSA-N 2 0 334.508 1.242 20 0 EDADRP CS[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH+]1CCCC1 ZINC000602136794 449374966 /nfs/dbraw/zinc/37/49/66/449374966.db2.gz UKHKQMFFWKAOCW-HZPDHXFCSA-N 2 0 337.533 1.901 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000614067405 449442257 /nfs/dbraw/zinc/44/22/57/449442257.db2.gz SFWJSRFGKZTXIR-INIZCTEOSA-N 2 0 325.478 1.338 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649174 449585533 /nfs/dbraw/zinc/58/55/33/449585533.db2.gz CEIORCKWRZSEQI-CABCVRRESA-N 2 0 325.497 1.770 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614506440 449654429 /nfs/dbraw/zinc/65/44/29/449654429.db2.gz XQQSGKRPOLESDA-RBUKOAKNSA-N 2 0 342.487 1.015 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000594698804 449631691 /nfs/dbraw/zinc/63/16/91/449631691.db2.gz GSUYBBIJXZANNW-ZWKOTPCHSA-N 2 0 330.476 1.752 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CCO)CC1 ZINC000601215199 449755162 /nfs/dbraw/zinc/75/51/62/449755162.db2.gz UFXQZVTXWWQRSX-GOSISDBHSA-N 2 0 346.475 1.017 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1Cl ZINC000597074189 449798906 /nfs/dbraw/zinc/79/89/06/449798906.db2.gz BNXSGHHHFNLYIP-UHFFFAOYSA-N 2 0 339.867 1.854 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@@H](C)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846026 449853749 /nfs/dbraw/zinc/85/37/49/449853749.db2.gz ORWMZPDXLLMBTI-OAHLLOKOSA-N 2 0 347.463 1.464 20 0 EDADRP COC(=O)[C@@H]1C[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C[C@H]1C ZINC000602845990 449852718 /nfs/dbraw/zinc/85/27/18/449852718.db2.gz OCHSYXUUJUVTDC-SUMDDJOVSA-N 2 0 332.444 1.364 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)OC)CC1 ZINC000608784641 449937008 /nfs/dbraw/zinc/93/70/08/449937008.db2.gz JIORPLQEUSCTBF-OAHLLOKOSA-N 2 0 325.453 1.005 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612977479 449967648 /nfs/dbraw/zinc/96/76/48/449967648.db2.gz ZIEBWVAELPBQDI-HYVNUMGLSA-N 2 0 332.492 1.787 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000615308815 450056860 /nfs/dbraw/zinc/05/68/60/450056860.db2.gz OEVFOGCTMFXDPM-NJAFHUGGSA-N 2 0 330.476 1.845 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000613664876 450264188 /nfs/dbraw/zinc/26/41/88/450264188.db2.gz IHOHEABIHNDNAI-ARFHVFGLSA-N 2 0 325.522 1.803 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000623071354 450390408 /nfs/dbraw/zinc/39/04/08/450390408.db2.gz GIVLKUVWOLNCPC-MRXNPFEDSA-N 2 0 346.475 1.967 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000616784424 450484241 /nfs/dbraw/zinc/48/42/41/450484241.db2.gz KYZZSDLIBVHJMU-IYBDPMFKSA-N 2 0 340.512 1.214 20 0 EDADRP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620478907 450498179 /nfs/dbraw/zinc/49/81/79/450498179.db2.gz JYQSTJDBTKGRSR-RBUKOAKNSA-N 2 0 349.519 1.841 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485238 450502366 /nfs/dbraw/zinc/50/23/66/450502366.db2.gz RGHZBWDNXFIUSV-MOPGFXCFSA-N 2 0 345.487 1.737 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623491410 450531234 /nfs/dbraw/zinc/53/12/34/450531234.db2.gz SIDZHQVISMVYKD-OAHLLOKOSA-N 2 0 331.526 1.511 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625941842 450538655 /nfs/dbraw/zinc/53/86/55/450538655.db2.gz ITVPRZJAPTXKFZ-UHFFFAOYSA-N 3 0 349.479 1.126 20 0 EDADRP CC[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H](C)[NH2+]1 ZINC000620898184 450557112 /nfs/dbraw/zinc/55/71/12/450557112.db2.gz QWOQQDBAXZQKIU-NUEKZKHPSA-N 2 0 325.522 1.803 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000621010796 450572808 /nfs/dbraw/zinc/57/28/08/450572808.db2.gz JMBDIAZDMAXJPC-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000623837300 450609711 /nfs/dbraw/zinc/60/97/11/450609711.db2.gz VZJDPIUIVPHIQS-QGZVFWFLSA-N 2 0 332.492 1.998 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633012713 450610234 /nfs/dbraw/zinc/61/02/34/450610234.db2.gz IEMVZYDDEIKCNN-INIZCTEOSA-N 2 0 346.475 1.725 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)ccc1C[NH+](C)C ZINC000633022552 450617078 /nfs/dbraw/zinc/61/70/78/450617078.db2.gz LWKVBROKUBTJDZ-UKRRQHHQSA-N 2 0 332.448 1.048 20 0 EDADRP [NH3+]CCCOCC[NH2+]Cc1cc2c(cc1Br)OCO2 ZINC000629398690 450648913 /nfs/dbraw/zinc/64/89/13/450648913.db2.gz XAEWUNPXJICZCQ-UHFFFAOYSA-N 2 0 331.210 1.633 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CCCC[NH+](C)C2)CC1(C)C ZINC000623997365 450664574 /nfs/dbraw/zinc/66/45/74/450664574.db2.gz KMZBAJCNLLISIC-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCCN(Cc1ccccc1)S(=O)(=O)CCC[NH+](C)C ZINC000631656237 450698529 /nfs/dbraw/zinc/69/85/29/450698529.db2.gz OMYMSLMCTYJBTB-UHFFFAOYSA-N 2 0 341.521 1.722 20 0 EDADRP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1(C)C ZINC000624086427 450700654 /nfs/dbraw/zinc/70/06/54/450700654.db2.gz FXXZHYZGPKNJKN-KKUMJFAQSA-N 2 0 325.497 1.898 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1CO ZINC000621372343 450704972 /nfs/dbraw/zinc/70/49/72/450704972.db2.gz UEVZGKXULOTLGU-BPQIPLTHSA-N 2 0 333.476 1.356 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)C1CC[NH+](C)CC1 ZINC000624114216 450710393 /nfs/dbraw/zinc/71/03/93/450710393.db2.gz WFSWCLJQXNUJIZ-HIFRSBDPSA-N 2 0 329.452 1.023 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@@H]21 ZINC000624116971 450712292 /nfs/dbraw/zinc/71/22/92/450712292.db2.gz CNWKGAIERSXXSP-WCVJEAGWSA-N 2 0 341.463 1.165 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CCN(c2ccc(F)c(F)c2)C1)C[NH+]1CCCC1 ZINC000629558652 450734270 /nfs/dbraw/zinc/73/42/70/450734270.db2.gz LIKBIMIPSMMFSG-ZBFHGGJFSA-N 2 0 339.430 1.837 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000629568541 450741144 /nfs/dbraw/zinc/74/11/44/450741144.db2.gz LCSGYWAAIHDJIR-GOEBONIOSA-N 2 0 335.448 1.183 20 0 EDADRP COc1ccc([C@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000629588488 450751905 /nfs/dbraw/zinc/75/19/05/450751905.db2.gz IPIITROOQAHWST-HNNXBMFYSA-N 2 0 335.423 1.446 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(-c2c[nH]cn2)cc1 ZINC000633257460 450760483 /nfs/dbraw/zinc/76/04/83/450760483.db2.gz VZILOOATNUZSLZ-MRXNPFEDSA-N 2 0 328.416 1.653 20 0 EDADRP COC1(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647825 450770920 /nfs/dbraw/zinc/77/09/20/450770920.db2.gz BIIIWTDEHGVGMP-CVEARBPZSA-N 2 0 336.480 1.166 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000624411984 450839944 /nfs/dbraw/zinc/83/99/44/450839944.db2.gz CMMKDPIZZNZVAH-CALCHBBNSA-N 2 0 337.489 1.368 20 0 EDADRP C[C@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[NH+](C)C ZINC000635266597 450795346 /nfs/dbraw/zinc/79/53/46/450795346.db2.gz PKRZVCFYNDBEOG-BZUAXINKSA-N 2 0 333.476 1.862 20 0 EDADRP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335801 450797824 /nfs/dbraw/zinc/79/78/24/450797824.db2.gz AJSWOAAFZSAVKX-PLACYPQZSA-N 2 0 343.515 1.943 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821418 450797892 /nfs/dbraw/zinc/79/78/92/450797892.db2.gz XDLQOQMXIDEFNZ-VYDXJSESSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000621699269 450840370 /nfs/dbraw/zinc/84/03/70/450840370.db2.gz QFHRIJSZTPMWJR-PXNSSMCTSA-N 2 0 342.487 1.539 20 0 EDADRP CCOc1cncc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000621713525 450844932 /nfs/dbraw/zinc/84/49/32/450844932.db2.gz NSQIDQQARRBZEY-UHFFFAOYSA-N 2 0 334.464 1.370 20 0 EDADRP C[C@H](C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000635357779 450877983 /nfs/dbraw/zinc/87/79/83/450877983.db2.gz MZACTHZHSWFJNQ-GOSISDBHSA-N 2 0 346.519 1.651 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629954938 450912861 /nfs/dbraw/zinc/91/28/61/450912861.db2.gz VHFPAGIPMBLUPY-IAGOWNOFSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2n1CCCCC2 ZINC000621880764 450917046 /nfs/dbraw/zinc/91/70/46/450917046.db2.gz RBEVFCHGVCPQEU-UHFFFAOYSA-N 2 0 349.523 1.955 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(-c2ccc(OCC(N)=O)cc2)cc1)C1C[NH2+]C1 ZINC000622044758 451008792 /nfs/dbraw/zinc/00/87/92/451008792.db2.gz RJEOUYYOWZQFEY-CQSZACIVSA-N 2 0 339.439 1.915 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000626933533 451015679 /nfs/dbraw/zinc/01/56/79/451015679.db2.gz MDNMJIDOGZIETA-GJZGRUSLSA-N 2 0 340.493 1.419 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)Cc1ccccc1 ZINC000635526556 451023313 /nfs/dbraw/zinc/02/33/13/451023313.db2.gz BODMGAIEQPFHAY-KZNAEPCWSA-N 2 0 332.492 1.976 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000626946153 451025877 /nfs/dbraw/zinc/02/58/77/451025877.db2.gz MDBYLFQBHPIFEK-RDJZCZTQSA-N 2 0 334.464 1.357 20 0 EDADRP C[C@@H](CCNC(=O)NCC1([NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000626991173 451057131 /nfs/dbraw/zinc/05/71/31/451057131.db2.gz CGNSAKMDWFCYIK-INIZCTEOSA-N 2 0 348.491 1.704 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000622136824 451061253 /nfs/dbraw/zinc/06/12/53/451061253.db2.gz VAYPAFICCBYIFG-JKSUJKDBSA-N 2 0 325.497 1.769 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627070665 451111333 /nfs/dbraw/zinc/11/13/33/451111333.db2.gz DKEOXWJAZWSHHP-MRXNPFEDSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H](CCNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000632204877 451113626 /nfs/dbraw/zinc/11/36/26/451113626.db2.gz RWLISPBIMMQWES-INIZCTEOSA-N 2 0 331.526 1.656 20 0 EDADRP C[C@H](CCNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000632204878 451113789 /nfs/dbraw/zinc/11/37/89/451113789.db2.gz RWLISPBIMMQWES-MRXNPFEDSA-N 2 0 331.526 1.656 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000632300865 451184402 /nfs/dbraw/zinc/18/44/02/451184402.db2.gz FARRAGZLDKZCPL-MRXNPFEDSA-N 2 0 331.526 1.655 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627213195 451189994 /nfs/dbraw/zinc/18/99/94/451189994.db2.gz XCFNPCIDTVXOBP-UHFFFAOYSA-N 2 0 326.485 1.259 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000630438828 451194735 /nfs/dbraw/zinc/19/47/35/451194735.db2.gz BBMBERSDVGWALR-QGZVFWFLSA-N 2 0 329.448 1.477 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000638090419 451255872 /nfs/dbraw/zinc/25/58/72/451255872.db2.gz WUWRSQWOQAJSEG-WMZOPIPTSA-N 2 0 349.500 1.941 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638110612 451278532 /nfs/dbraw/zinc/27/85/32/451278532.db2.gz GVNWXRAXTGBNIL-HKUYNNGSSA-N 2 0 331.460 1.345 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638137089 451311064 /nfs/dbraw/zinc/31/10/64/451311064.db2.gz RFRCJMSOSXGFKD-IBGZPJMESA-N 2 0 342.487 1.488 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000638147537 451321983 /nfs/dbraw/zinc/32/19/83/451321983.db2.gz XCMIIORTAXBGPV-SZMVWBNQSA-N 2 0 331.460 1.556 20 0 EDADRP C[C@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC[NH2+]1 ZINC000638199723 451351812 /nfs/dbraw/zinc/35/18/12/451351812.db2.gz LETKCEZXOWWBAS-HQRMLTQVSA-N 2 0 343.471 1.345 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000638246023 451379152 /nfs/dbraw/zinc/37/91/52/451379152.db2.gz HKYIROXWLJZAJL-YUTCNCBUSA-N 2 0 327.350 1.916 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253118 451383308 /nfs/dbraw/zinc/38/33/08/451383308.db2.gz YUQHMTMSRGWVGI-HZPDHXFCSA-N 2 0 333.480 1.297 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000640534210 451384434 /nfs/dbraw/zinc/38/44/34/451384434.db2.gz NPXGXIIWRLERPL-MRXNPFEDSA-N 2 0 331.526 1.466 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000635894894 451338668 /nfs/dbraw/zinc/33/86/68/451338668.db2.gz KVFGLMXHILAUQZ-UHFFFAOYSA-N 2 0 346.519 1.303 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)N1CCOCC1 ZINC000638180752 451341475 /nfs/dbraw/zinc/34/14/75/451341475.db2.gz KMZYLWOQPMCCBT-BRWVUGGUSA-N 2 0 325.497 1.281 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000638286753 451404035 /nfs/dbraw/zinc/40/40/35/451404035.db2.gz PWWFLGVDTCDFHP-GBESFXJTSA-N 2 0 344.503 1.388 20 0 EDADRP CO[C@@]1(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCOC1 ZINC000638355640 451457850 /nfs/dbraw/zinc/45/78/50/451457850.db2.gz OZWNQSVIBFQZJG-WOJBJXKFSA-N 2 0 347.503 1.760 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000638364718 451462345 /nfs/dbraw/zinc/46/23/45/451462345.db2.gz BRRGVLWHQJANOK-XYJFISCASA-N 2 0 345.487 1.910 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000630862584 451445658 /nfs/dbraw/zinc/44/56/58/451445658.db2.gz JRXZDWCDMWFXBK-ZWKOTPCHSA-N 2 0 336.524 1.392 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000638416274 451500796 /nfs/dbraw/zinc/50/07/96/451500796.db2.gz PTCQYXMOKDQIFW-FBVQUNGASA-N 2 0 330.476 1.187 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N[C@H]1Cc2cncn2C1 ZINC000636784899 451506080 /nfs/dbraw/zinc/50/60/80/451506080.db2.gz ANIYWJMWRFARIW-DLBZAZTESA-N 2 0 339.443 1.772 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C1(c3ccccc3)CC[NH2+]CC1)C2 ZINC000634749842 451525485 /nfs/dbraw/zinc/52/54/85/451525485.db2.gz GOIOJOCBSBNHAV-KDURUIRLSA-N 2 0 327.472 1.766 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H]1C(C)C ZINC000638481384 451536043 /nfs/dbraw/zinc/53/60/43/451536043.db2.gz KVMYYOKKXWIMPF-QZTJIDSGSA-N 2 0 333.476 1.719 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000638559511 451577057 /nfs/dbraw/zinc/57/70/57/451577057.db2.gz AQDAEUNDSKHQCR-UBHSHLNASA-N 2 0 345.365 1.681 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000636203742 451582409 /nfs/dbraw/zinc/58/24/09/451582409.db2.gz YNLIKNBJMQRGML-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586493 451590429 /nfs/dbraw/zinc/59/04/29/451590429.db2.gz UCTYIYKPBUVSRD-OALUTQOASA-N 2 0 345.487 1.899 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638592808 451594427 /nfs/dbraw/zinc/59/44/27/451594427.db2.gz QQVYNVSXNKECEJ-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638601170 451599681 /nfs/dbraw/zinc/59/96/81/451599681.db2.gz ALJUMRYCRJMMOP-KRWDZBQOSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636922405 451610234 /nfs/dbraw/zinc/61/02/34/451610234.db2.gz RJUYLULLHAHHAH-GUYCJALGSA-N 2 0 346.479 1.754 20 0 EDADRP Cc1nc(N)nc(NCC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000631177858 451626985 /nfs/dbraw/zinc/62/69/85/451626985.db2.gz ATECFDXTLIWYOY-XJKSGUPXSA-N 2 0 326.448 1.897 20 0 EDADRP C[C@H](C(=O)N(C)CCOCC[NH3+])[NH+]1CCC(Cc2ccccc2)CC1 ZINC000638674938 451645577 /nfs/dbraw/zinc/64/55/77/451645577.db2.gz NNGHHCLJBQELPB-QGZVFWFLSA-N 2 0 347.503 1.763 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)CCOCC[NH3+])cc2)CC1 ZINC000638676547 451645734 /nfs/dbraw/zinc/64/57/34/451645734.db2.gz YPZGVFLDMLZCFT-UHFFFAOYSA-N 2 0 348.491 1.264 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000635007930 451648463 /nfs/dbraw/zinc/64/84/63/451648463.db2.gz QJKKTHHKCCARTA-RHSMWYFYSA-N 2 0 347.484 1.945 20 0 EDADRP [NH3+][C@@H](CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000638881683 451718019 /nfs/dbraw/zinc/71/80/19/451718019.db2.gz QBEMMKRSCZFRMK-CABCVRRESA-N 2 0 327.432 1.177 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638790700 451693498 /nfs/dbraw/zinc/69/34/98/451693498.db2.gz MCSCOEZYTFNNMT-HNNXBMFYSA-N 2 0 332.448 1.378 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000638883283 451718649 /nfs/dbraw/zinc/71/86/49/451718649.db2.gz ZPJVZSXWACMWHT-HKUYNNGSSA-N 2 0 341.455 1.641 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000638835517 451705120 /nfs/dbraw/zinc/70/51/20/451705120.db2.gz MECAWRLEZOAYSQ-KBAYOESNSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@@]1(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638852186 451711143 /nfs/dbraw/zinc/71/11/43/451711143.db2.gz VRVCJPQCWALLAB-ICSRJNTNSA-N 2 0 345.487 1.926 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000636445560 451711745 /nfs/dbraw/zinc/71/17/45/451711745.db2.gz OGHTZAHDOISJHT-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956023 451668111 /nfs/dbraw/zinc/66/81/11/451668111.db2.gz SQSQRBCUNIJREJ-KGLIPLIRSA-N 2 0 344.381 1.758 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000638729574 451668786 /nfs/dbraw/zinc/66/87/86/451668786.db2.gz RZNWKQLYJPNRDC-SJLPKXTDSA-N 2 0 337.508 1.997 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000632961286 451670435 /nfs/dbraw/zinc/67/04/35/451670435.db2.gz QPWDVQUGHYPLNV-CJNGLKHVSA-N 2 0 334.468 1.789 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)ccn2)CC1 ZINC000638967208 451743159 /nfs/dbraw/zinc/74/31/59/451743159.db2.gz KHVIUKLPCCALOG-KOMQPUFPSA-N 2 0 331.464 1.081 20 0 EDADRP O=C1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCCN1 ZINC000638970725 451743588 /nfs/dbraw/zinc/74/35/88/451743588.db2.gz ONSNBQMTGGUJCA-MSOLQXFVSA-N 2 0 331.460 1.402 20 0 EDADRP COc1cc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)ccc1C ZINC000638988295 451747972 /nfs/dbraw/zinc/74/79/72/451747972.db2.gz UWPPGPCMLSFASJ-UHFFFAOYSA-N 2 0 340.427 1.989 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1)C1CCOCC1 ZINC000639171506 451784399 /nfs/dbraw/zinc/78/43/99/451784399.db2.gz VOAUUUFRJZKVDI-IBGZPJMESA-N 2 0 339.524 1.387 20 0 EDADRP C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C[C@@H](O)C1CC1 ZINC000639175194 451785962 /nfs/dbraw/zinc/78/59/62/451785962.db2.gz INTIWRYATWNADX-LJQANCHMSA-N 2 0 334.460 1.600 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000641323799 451847161 /nfs/dbraw/zinc/84/71/61/451847161.db2.gz PBIHSXGRWXTMJS-CQSZACIVSA-N 2 0 337.489 1.295 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543683 451852086 /nfs/dbraw/zinc/85/20/86/451852086.db2.gz NIGDYTMQLNDPJG-UXHICEINSA-N 2 0 349.519 1.598 20 0 EDADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644563008 451864476 /nfs/dbraw/zinc/86/44/76/451864476.db2.gz MNGKGOCMBDOPMV-HKUYNNGSSA-N 2 0 349.519 1.516 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639506869 451912220 /nfs/dbraw/zinc/91/22/20/451912220.db2.gz RYKMLJSVDMUGPR-WOJBJXKFSA-N 2 0 347.503 1.012 20 0 EDADRP COc1ncc(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000644658008 451922257 /nfs/dbraw/zinc/92/22/57/451922257.db2.gz KVOMGJHGWPMVJK-MBNYWOFBSA-N 2 0 343.855 1.303 20 0 EDADRP C[NH+](C)C1(CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)CCCCCC1 ZINC000649280350 451953061 /nfs/dbraw/zinc/95/30/61/451953061.db2.gz FGYMXSOFSTXQIP-OAHLLOKOSA-N 2 0 338.496 1.097 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000649281534 451954363 /nfs/dbraw/zinc/95/43/63/451954363.db2.gz QVECUVABNLGKQZ-GOSISDBHSA-N 2 0 331.460 1.525 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649285039 451957713 /nfs/dbraw/zinc/95/77/13/451957713.db2.gz XYCLURYKEQDNJC-HNNXBMFYSA-N 2 0 335.448 1.582 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000649288882 451964242 /nfs/dbraw/zinc/96/42/42/451964242.db2.gz SINXHSUMUOGRDF-HNNXBMFYSA-N 2 0 341.402 1.488 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649299344 451977100 /nfs/dbraw/zinc/97/71/00/451977100.db2.gz LJMCNDOJIXPVFW-CQSZACIVSA-N 2 0 348.447 1.035 20 0 EDADRP COCCC1(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000649303323 451979222 /nfs/dbraw/zinc/97/92/22/451979222.db2.gz SYJYYXJYOCABKA-MRXNPFEDSA-N 2 0 325.497 1.631 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)CCC(C)(C)[NH3+])c1 ZINC000649311535 451990055 /nfs/dbraw/zinc/99/00/55/451990055.db2.gz YGHBBGUHEURLMT-UHFFFAOYSA-N 2 0 334.464 1.112 20 0 EDADRP C[C@H](NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C1CC[NH+](C)CC1 ZINC000649314614 451992673 /nfs/dbraw/zinc/99/26/73/451992673.db2.gz GYOUIJUBJCRKSN-DZGCQCFKSA-N 2 0 333.480 1.347 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649315732 451994346 /nfs/dbraw/zinc/99/43/46/451994346.db2.gz GJUYQBNCJJMNGS-PIIMJCKOSA-N 2 0 329.444 1.295 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649319711 451998105 /nfs/dbraw/zinc/99/81/05/451998105.db2.gz RZUDRGLPVVXGLT-UAGQMJEPSA-N 2 0 333.480 1.022 20 0 EDADRP COCCC1(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000649338988 452019532 /nfs/dbraw/zinc/01/95/32/452019532.db2.gz UIVFQBUYDMXLKI-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(CCOC)CC[NH2+]CC2)C1 ZINC000649343964 452024584 /nfs/dbraw/zinc/02/45/84/452024584.db2.gz JZSJXPWFHMTNSZ-INIZCTEOSA-N 2 0 325.497 1.583 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000649344167 452025070 /nfs/dbraw/zinc/02/50/70/452025070.db2.gz AXSBXWDUSRBQBC-SJORKVTESA-N 2 0 337.508 1.760 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000643082765 452035480 /nfs/dbraw/zinc/03/54/80/452035480.db2.gz MVKUOGBFPYUWBG-ROUUACIJSA-N 2 0 331.460 1.521 20 0 EDADRP CC[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000649358923 452040095 /nfs/dbraw/zinc/04/00/95/452040095.db2.gz IYEZRUDNCAJUAN-HKUYNNGSSA-N 2 0 344.503 1.785 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[NH2+]C34CCCC4)ccn2)CC1 ZINC000649372548 452047863 /nfs/dbraw/zinc/04/78/63/452047863.db2.gz BXIBJIHXJXCHLI-INIZCTEOSA-N 2 0 343.475 1.238 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090529 452053969 /nfs/dbraw/zinc/05/39/69/452053969.db2.gz LOWWNYUMOXQNSI-QGZVFWFLSA-N 3 0 332.492 1.470 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000651765404 452063747 /nfs/dbraw/zinc/06/37/47/452063747.db2.gz PNDKGNCPSJIGPX-INIZCTEOSA-N 2 0 328.464 1.383 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000649414943 452078649 /nfs/dbraw/zinc/07/86/49/452078649.db2.gz AQVIMBNFMXVFIF-FUHWJXTLSA-N 2 0 336.524 1.439 20 0 EDADRP C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637806191 452092731 /nfs/dbraw/zinc/09/27/31/452092731.db2.gz QFWSJCMKYUAETF-HKUYNNGSSA-N 2 0 331.460 1.251 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637823532 452102456 /nfs/dbraw/zinc/10/24/56/452102456.db2.gz RKNHDZYIWOIHCI-CMKODMSKSA-N 2 0 343.471 1.332 20 0 EDADRP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827062 452103742 /nfs/dbraw/zinc/10/37/42/452103742.db2.gz MYODZOJDUAOHFS-HKUYNNGSSA-N 2 0 331.460 1.251 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000637861747 452118924 /nfs/dbraw/zinc/11/89/24/452118924.db2.gz KRJQWEPVRXXJQC-QWRGUYRKSA-N 2 0 344.410 1.196 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104686 452154561 /nfs/dbraw/zinc/15/45/61/452154561.db2.gz QSNRVVOKDBIXRS-TVEAVKIZSA-N 2 0 335.492 1.510 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645113064 452157768 /nfs/dbraw/zinc/15/77/68/452157768.db2.gz XBLDAWYRHRWDRB-NXHRZFHOSA-N 2 0 335.492 1.620 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CCC[N@@H+]1C ZINC000649610469 452166154 /nfs/dbraw/zinc/16/61/54/452166154.db2.gz TUJNFRNZFJBDIR-FQEVSTJZSA-N 2 0 330.520 1.830 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000647486468 452230912 /nfs/dbraw/zinc/23/09/12/452230912.db2.gz VTDIKUACPMCMMV-HNNXBMFYSA-N 2 0 332.448 1.124 20 0 EDADRP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@H+](CCN3CCOCC3)C2)c2ccccc21 ZINC000643455411 452232499 /nfs/dbraw/zinc/23/24/99/452232499.db2.gz DPWSGXWUBGRIHK-IPELMVKDSA-N 2 0 330.476 1.127 20 0 EDADRP CC[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)[C@@H]1CCCOC1 ZINC000649759729 452234943 /nfs/dbraw/zinc/23/49/43/452234943.db2.gz TZFRDVQFNRVPBR-LJQANCHMSA-N 2 0 345.487 1.832 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2-n2cncn2)CC12CCOCC2 ZINC000647545430 452275263 /nfs/dbraw/zinc/27/52/63/452275263.db2.gz FWOWVMMEHVNZGK-MRXNPFEDSA-N 2 0 327.432 1.455 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000659431475 452276967 /nfs/dbraw/zinc/27/69/67/452276967.db2.gz NCKWXXRFUMFSQK-JYJNAYRXSA-N 2 0 348.491 1.703 20 0 EDADRP O=S1(=O)CCCN1c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647551598 452279782 /nfs/dbraw/zinc/27/97/82/452279782.db2.gz WZQXYSFXJYVMBC-BRWVUGGUSA-N 2 0 349.500 1.704 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000647553012 452279809 /nfs/dbraw/zinc/27/98/09/452279809.db2.gz MHYMMHKEQHGBHH-UHFFFAOYSA-N 2 0 329.448 1.314 20 0 EDADRP OC1(C[NH2+]Cc2cnn3c2CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000657496150 452279705 /nfs/dbraw/zinc/27/97/05/452279705.db2.gz NTGXTAFUZGJKDC-UHFFFAOYSA-N 2 0 340.471 1.946 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1NCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000641803833 452280941 /nfs/dbraw/zinc/28/09/41/452280941.db2.gz VDPUCMXKEKBMHE-IAGOWNOFSA-N 2 0 346.475 1.173 20 0 EDADRP CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645304368 452283577 /nfs/dbraw/zinc/28/35/77/452283577.db2.gz SEVSMPRBEQPQTA-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652117683 452311763 /nfs/dbraw/zinc/31/17/63/452311763.db2.gz RGXSLBWBMTUPNL-HRCADAONSA-N 2 0 326.485 1.256 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)C[C@H]1C[NH3+] ZINC000652120389 452317644 /nfs/dbraw/zinc/31/76/44/452317644.db2.gz NXJJHDFZICUMCA-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638048528 452318085 /nfs/dbraw/zinc/31/80/85/452318085.db2.gz RLEJWKCJAQNBFA-MJGOQNOKSA-N 2 0 331.460 1.534 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659478855 452338217 /nfs/dbraw/zinc/33/82/17/452338217.db2.gz VJIGSBPVFPOJRA-UHFFFAOYSA-N 2 0 329.448 1.349 20 0 EDADRP C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067601 452369930 /nfs/dbraw/zinc/36/99/30/452369930.db2.gz FPAMEZPCCFKOJX-ZHALLVOQSA-N 2 0 346.519 1.682 20 0 EDADRP COC[C@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638070574 452376902 /nfs/dbraw/zinc/37/69/02/452376902.db2.gz RRRNMSAWHPQGCU-FQEVSTJZSA-N 2 0 345.487 1.710 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659514748 452377819 /nfs/dbraw/zinc/37/78/19/452377819.db2.gz UTEAEJXRTPJOMJ-COXVUDFISA-N 2 0 334.439 1.570 20 0 EDADRP [NH3+]C1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659518096 452383087 /nfs/dbraw/zinc/38/30/87/452383087.db2.gz DOHSVLVNVXCLGD-BHUNQDJPSA-N 2 0 334.439 1.840 20 0 EDADRP C[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638079434 452395025 /nfs/dbraw/zinc/39/50/25/452395025.db2.gz DUXJWOPXFNAREK-PKOBYXMFSA-N 2 0 331.460 1.393 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000645434983 452405672 /nfs/dbraw/zinc/40/56/72/452405672.db2.gz WQQYFSDYMDLBFH-QGZVFWFLSA-N 2 0 332.492 1.609 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659566346 452421393 /nfs/dbraw/zinc/42/13/93/452421393.db2.gz JUIFWWFHBVTUIE-YJBOKZPZSA-N 2 0 345.491 1.672 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380802 452432635 /nfs/dbraw/zinc/43/26/35/452432635.db2.gz FKEFOFWJMIJYFK-LVQVYYBASA-N 2 0 338.496 1.268 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659583841 452439175 /nfs/dbraw/zinc/43/91/75/452439175.db2.gz WMAUKUYWRFXGHB-QZTJIDSGSA-N 2 0 330.476 1.869 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654404510 452456859 /nfs/dbraw/zinc/45/68/59/452456859.db2.gz OIEZHFOCSFQBML-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274873 452461659 /nfs/dbraw/zinc/46/16/59/452461659.db2.gz XTACEMKPDXFKBF-DOTOQJQBSA-N 2 0 334.439 1.910 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000652289824 452473060 /nfs/dbraw/zinc/47/30/60/452473060.db2.gz GFPXEPGWTXQQSX-HUUCEWRRSA-N 2 0 334.464 1.003 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659624510 452482290 /nfs/dbraw/zinc/48/22/90/452482290.db2.gz VFPHHLBORBSJFZ-IAGOWNOFSA-N 2 0 339.528 1.171 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]([NH3+])CC(C)C)cn2)CC1 ZINC000645532613 452501954 /nfs/dbraw/zinc/50/19/54/452501954.db2.gz YHCYBJAJSXQIBU-MRXNPFEDSA-N 2 0 333.480 1.213 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c1 ZINC000655695478 452516812 /nfs/dbraw/zinc/51/68/12/452516812.db2.gz YYQXYLNDRNKWOG-LJQANCHMSA-N 2 0 347.503 1.970 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)C1 ZINC000652345869 452520307 /nfs/dbraw/zinc/52/03/07/452520307.db2.gz OGYCSZGAPSDEEM-NFAWXSAZSA-N 2 0 348.472 1.474 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3cccc(F)c3)C2)C1 ZINC000652345885 452520657 /nfs/dbraw/zinc/52/06/57/452520657.db2.gz OLYQRXCKHYJXJV-UNEWFSDZSA-N 2 0 335.423 1.983 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347659 452522009 /nfs/dbraw/zinc/52/20/09/452522009.db2.gz IDTBGKZBIQWLHV-BBWFWOEESA-N 2 0 341.496 1.138 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347409 452522616 /nfs/dbraw/zinc/52/26/16/452522616.db2.gz AHTXTUBZFCVOGZ-QSOKESPWSA-N 2 0 349.519 1.994 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C)cc1 ZINC000659674138 452541323 /nfs/dbraw/zinc/54/13/23/452541323.db2.gz KTFAWPOECCTXDW-MRXNPFEDSA-N 2 0 348.491 1.164 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@@H]([NH3+])CCO3)on2)cn1 ZINC000652364037 452543711 /nfs/dbraw/zinc/54/37/11/452543711.db2.gz VWMSCAWNPMFBKR-BMGDILEWSA-N 2 0 345.447 1.936 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814339 452544504 /nfs/dbraw/zinc/54/45/04/452544504.db2.gz JJSSUIVDHPJUNX-UHFFFAOYSA-N 2 0 330.432 1.331 20 0 EDADRP C[C@H]1C[N@H+](CCCNC2CC[NH+](C[C@@H]3CCCO3)CC2)CCCO1 ZINC000655759973 452561688 /nfs/dbraw/zinc/56/16/88/452561688.db2.gz UVNSJPUZLKTFTE-HKUYNNGSSA-N 3 0 339.524 1.720 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647832517 452566366 /nfs/dbraw/zinc/56/63/66/452566366.db2.gz APMLYSFRLMUINM-AYOQOUSVSA-N 2 0 345.487 1.735 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000659691357 452568987 /nfs/dbraw/zinc/56/89/87/452568987.db2.gz HMTMHZSNBKINLF-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000657900852 452600274 /nfs/dbraw/zinc/60/02/74/452600274.db2.gz NPVZZSIBGPMORO-HNNXBMFYSA-N 2 0 329.448 1.413 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000645634861 452637082 /nfs/dbraw/zinc/63/70/82/452637082.db2.gz FLNVNFUGOTYTJB-IAGOWNOFSA-N 2 0 331.464 1.508 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904256 452644312 /nfs/dbraw/zinc/64/43/12/452644312.db2.gz ZZCIKHJRLPQJQN-CABCVRRESA-N 2 0 334.464 1.315 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)cc2n1 ZINC000657992919 452667294 /nfs/dbraw/zinc/66/72/94/452667294.db2.gz RRLNRSCVRJNYFS-GOOCMWNKSA-N 2 0 341.415 1.323 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000655923962 452689511 /nfs/dbraw/zinc/68/95/11/452689511.db2.gz ZBJGHQIVOHCBIB-ZDUSSCGKSA-N 2 0 345.369 1.487 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000663998115 452699487 /nfs/dbraw/zinc/69/94/87/452699487.db2.gz GZTGUZMJTBNGGA-IRXDYDNUSA-N 2 0 341.544 1.290 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000661947517 452702492 /nfs/dbraw/zinc/70/24/92/452702492.db2.gz IRWBNPTUVXNHHL-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]CC1(C[NH2+][C@@H](C)Cn2cccn2)CCC1 ZINC000647962938 452707831 /nfs/dbraw/zinc/70/78/31/452707831.db2.gz BKCPQOHIDGVKDF-IRXDYDNUSA-N 2 0 330.480 1.906 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000661951466 452713222 /nfs/dbraw/zinc/71/32/22/452713222.db2.gz ORNQQVFYGXIGOU-HNNXBMFYSA-N 2 0 347.463 1.406 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000661982050 452736921 /nfs/dbraw/zinc/73/69/21/452736921.db2.gz CMCBDPNPCGJOBY-SJORKVTESA-N 2 0 338.496 1.221 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855699 452739172 /nfs/dbraw/zinc/73/91/72/452739172.db2.gz JQYIPSZJNPIFHN-MHORFTMASA-N 2 0 327.513 1.261 20 0 EDADRP CO[C@H](C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@H]1CCOC1 ZINC000659862990 452741948 /nfs/dbraw/zinc/74/19/48/452741948.db2.gz HELSXCVFZHLTFK-ZSYWTGECSA-N 2 0 339.524 1.528 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658140639 452747600 /nfs/dbraw/zinc/74/76/00/452747600.db2.gz VSMDWCJHKKOALA-IRXDYDNUSA-N 2 0 331.460 1.400 20 0 EDADRP C[N@H+](C[C@@H]1CNc2ccnn2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648035216 452771820 /nfs/dbraw/zinc/77/18/20/452771820.db2.gz WYXWCFKBBIWBCT-DOTOQJQBSA-N 2 0 332.496 1.025 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786965 452787259 /nfs/dbraw/zinc/78/72/59/452787259.db2.gz NZANNERZHGNFGD-RTBURBONSA-N 2 0 345.487 1.783 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652643906 452800716 /nfs/dbraw/zinc/80/07/16/452800716.db2.gz FUDFUYYKHHWGTN-UHFFFAOYSA-N 2 0 332.448 1.193 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654727633 452844534 /nfs/dbraw/zinc/84/45/34/452844534.db2.gz QXLOAQSRLOBEGB-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142829 452855508 /nfs/dbraw/zinc/85/55/08/452855508.db2.gz APLFFPCJHYPTEO-BZUAXINKSA-N 2 0 346.479 1.054 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648177600 452890193 /nfs/dbraw/zinc/89/01/93/452890193.db2.gz IOIOQNJETMBNBS-QZTJIDSGSA-N 2 0 343.471 1.228 20 0 EDADRP Cc1cnccc1NC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000666492274 452911082 /nfs/dbraw/zinc/91/10/82/452911082.db2.gz BKKKXVVNYXFMKQ-HZPDHXFCSA-N 2 0 330.432 1.577 20 0 EDADRP C[C@@H](CNc1cc(-n2cccn2)nc(N)n1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000656211745 452963108 /nfs/dbraw/zinc/96/31/08/452963108.db2.gz YXPQBVZDSXGATL-RWMBFGLXSA-N 2 0 331.424 1.154 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1)N1CCOCC1 ZINC000662249378 452975471 /nfs/dbraw/zinc/97/54/71/452975471.db2.gz UOHYKXNCVHCBAL-SFHVURJKSA-N 2 0 343.471 1.403 20 0 EDADRP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)co1 ZINC000662273453 453001957 /nfs/dbraw/zinc/00/19/57/453001957.db2.gz MRBSVBCIYIXGPF-KGLIPLIRSA-N 2 0 327.450 1.139 20 0 EDADRP C(CC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)C[NH+]1CCOCC1 ZINC000662278952 453005136 /nfs/dbraw/zinc/00/51/36/453005136.db2.gz OKXWDNPHGGSWGE-GOSISDBHSA-N 3 0 337.508 1.332 20 0 EDADRP COc1ccnc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1OC ZINC000662283629 453006737 /nfs/dbraw/zinc/00/67/37/453006737.db2.gz BXHZCUFXQNPJHG-VBQJREDUSA-N 2 0 335.448 1.817 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)[NH3+] ZINC000662292238 453014081 /nfs/dbraw/zinc/01/40/81/453014081.db2.gz DYXBKPJZSYLQBT-UHFFFAOYSA-N 2 0 332.492 1.568 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1=O ZINC000662295618 453017804 /nfs/dbraw/zinc/01/78/04/453017804.db2.gz HFRZNJCRNQICMD-HNNXBMFYSA-N 2 0 336.480 1.419 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662318122 453032743 /nfs/dbraw/zinc/03/27/43/453032743.db2.gz WMDHKSCLYYYPCY-SJLPKXTDSA-N 3 0 338.540 1.815 20 0 EDADRP COCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338964 453055079 /nfs/dbraw/zinc/05/50/79/453055079.db2.gz XSMOSWQBFKWHIY-MRXNPFEDSA-N 2 0 335.496 1.815 20 0 EDADRP C[C@@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337640 453055244 /nfs/dbraw/zinc/05/52/44/453055244.db2.gz MLEFWBXQEFKQCX-LSDHHAIUSA-N 2 0 341.463 1.550 20 0 EDADRP COCC1([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)CCCCC1 ZINC000662337512 453056527 /nfs/dbraw/zinc/05/65/27/453056527.db2.gz BXTNEZNELMQCPP-UHFFFAOYSA-N 2 0 325.497 1.914 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)CC1 ZINC000666682976 453062677 /nfs/dbraw/zinc/06/26/77/453062677.db2.gz OLCCKNJMDVCXCZ-LSDHHAIUSA-N 2 0 331.464 1.639 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@]1(C)CCCS1 ZINC000664407599 453067717 /nfs/dbraw/zinc/06/77/17/453067717.db2.gz ITSSDCMAMIHDTM-GOEBONIOSA-N 2 0 330.542 1.843 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000646061877 453075465 /nfs/dbraw/zinc/07/54/65/453075465.db2.gz XOJXFSCIJLBYCZ-UHFFFAOYSA-N 2 0 344.503 1.084 20 0 EDADRP CO[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000660231880 453146239 /nfs/dbraw/zinc/14/62/39/453146239.db2.gz FRCRFLJRRNWDIT-MOPGFXCFSA-N 2 0 340.508 1.862 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000650994490 453170629 /nfs/dbraw/zinc/17/06/29/453170629.db2.gz NVTDBJIAVUYZSW-UHFFFAOYSA-N 2 0 341.544 1.290 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cn2)CC1 ZINC000646183339 453193989 /nfs/dbraw/zinc/19/39/89/453193989.db2.gz VCVTXFYTNYMWTH-CABCVRRESA-N 2 0 348.495 1.149 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000666872584 453203579 /nfs/dbraw/zinc/20/35/79/453203579.db2.gz ZEXKFZWYFODMNY-LSDHHAIUSA-N 2 0 344.459 1.260 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505498 453221347 /nfs/dbraw/zinc/22/13/47/453221347.db2.gz MSEVAKWQSXVPBV-CKEIUWERSA-N 2 0 343.475 1.576 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662527645 453249453 /nfs/dbraw/zinc/24/94/53/453249453.db2.gz XGVSWMWZXUXEPQ-IBGZPJMESA-N 2 0 344.503 1.611 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CC[N@@H+]1C ZINC000648798264 453282664 /nfs/dbraw/zinc/28/26/64/453282664.db2.gz YPSQVUWDXLNJOR-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cc(C2CC[NH2+]CC2)no1 ZINC000662556150 453285410 /nfs/dbraw/zinc/28/54/10/453285410.db2.gz MLCLJSBPACHVEG-UHFFFAOYSA-N 2 0 326.400 1.675 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653105943 453287708 /nfs/dbraw/zinc/28/77/08/453287708.db2.gz NVERYNLGOZDJOL-IRXDYDNUSA-N 2 0 348.491 1.227 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+](C)C)cc1 ZINC000653105919 453287734 /nfs/dbraw/zinc/28/77/34/453287734.db2.gz NDVUUTJPDIDEFC-LNLFQRSKSA-N 2 0 331.460 1.204 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653108906 453293257 /nfs/dbraw/zinc/29/32/57/453293257.db2.gz MAZOFKSAWIOKQF-MSOLQXFVSA-N 2 0 328.460 1.693 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@@H](N)CC[NH+](C)C)c2)CC1 ZINC000653113844 453300709 /nfs/dbraw/zinc/30/07/09/453300709.db2.gz PJKNZZMIRIOJTC-IBGZPJMESA-N 2 0 346.519 1.814 20 0 EDADRP O=C(N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653116732 453305079 /nfs/dbraw/zinc/30/50/79/453305079.db2.gz QJVDAOYJSNEDMQ-LNLFQRSKSA-N 2 0 335.492 1.337 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662588057 453315403 /nfs/dbraw/zinc/31/54/03/453315403.db2.gz AKGOCEILGDJGAO-OAHLLOKOSA-N 2 0 346.479 1.054 20 0 EDADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000646320112 453317638 /nfs/dbraw/zinc/31/76/38/453317638.db2.gz VWHVCFPKWOSBJE-NXOAAHMSSA-N 2 0 337.508 1.959 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646320113 453317794 /nfs/dbraw/zinc/31/77/94/453317794.db2.gz VWHVCFPKWOSBJE-TWMKSMIVSA-N 2 0 337.508 1.959 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CCC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000653124811 453318725 /nfs/dbraw/zinc/31/87/25/453318725.db2.gz HVZOSVZJNIQPHL-KRWDZBQOSA-N 2 0 336.524 1.443 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1(C)C ZINC000662594828 453321393 /nfs/dbraw/zinc/32/13/93/453321393.db2.gz SAVDFNXACWCVPT-MDZRGWNJSA-N 2 0 337.508 1.757 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662637497 453353202 /nfs/dbraw/zinc/35/32/02/453353202.db2.gz IXJPLJJUZYMKBM-IEBWSBKVSA-N 2 0 328.460 1.409 20 0 EDADRP [NH3+]Cc1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)ccn1 ZINC000662638481 453354009 /nfs/dbraw/zinc/35/40/09/453354009.db2.gz QZXFDNMDOVZDCL-UHFFFAOYSA-N 2 0 339.443 1.577 20 0 EDADRP CN(Cc1c[nH]cn1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000660512414 453361406 /nfs/dbraw/zinc/36/14/06/453361406.db2.gz OMURAPRTORAGNP-UHFFFAOYSA-N 2 0 331.420 1.692 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662659073 453371266 /nfs/dbraw/zinc/37/12/66/453371266.db2.gz NXEXCEMCWYNJDO-UHFFFAOYSA-N 2 0 332.448 1.578 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)N1CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C1)C2 ZINC000653183171 453373251 /nfs/dbraw/zinc/37/32/51/453373251.db2.gz AKGBQVLUUGJVNA-PXLQJWMYSA-N 2 0 349.519 1.885 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)C1 ZINC000653192279 453382634 /nfs/dbraw/zinc/38/26/34/453382634.db2.gz KCZMUQAMYSQUST-OGWHTMIXSA-N 2 0 343.471 1.618 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000664759165 453383468 /nfs/dbraw/zinc/38/34/68/453383468.db2.gz NTFMNWYGAIOTDP-KRWDZBQOSA-N 2 0 339.528 1.186 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1OC ZINC000662676804 453396239 /nfs/dbraw/zinc/39/62/39/453396239.db2.gz NCUMOFPCOCOORM-WKILWMFISA-N 2 0 349.475 1.769 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)CC3([NH3+])CC3)CC2)cc1 ZINC000662698995 453420835 /nfs/dbraw/zinc/42/08/35/453420835.db2.gz NUPCCLIDIIWPDL-UHFFFAOYSA-N 2 0 331.460 1.905 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662720514 453445263 /nfs/dbraw/zinc/44/52/63/453445263.db2.gz GAJYRGLAWSFORH-IRXDYDNUSA-N 2 0 331.460 1.473 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000664896925 453469659 /nfs/dbraw/zinc/46/96/59/453469659.db2.gz PKIFSWBKTHNGHB-WMZOPIPTSA-N 2 0 347.507 1.052 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662744940 453472804 /nfs/dbraw/zinc/47/28/04/453472804.db2.gz AWHVJBITEDDVCS-CVEARBPZSA-N 2 0 348.495 1.397 20 0 EDADRP C[N@H+](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000662750141 453481731 /nfs/dbraw/zinc/48/17/31/453481731.db2.gz RZNXYIXJAHYQSL-OAHLLOKOSA-N 2 0 347.356 1.916 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662791215 453526193 /nfs/dbraw/zinc/52/61/93/453526193.db2.gz OQWYZYZNHQVPQM-MRXNPFEDSA-N 2 0 334.508 1.277 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660702267 453526356 /nfs/dbraw/zinc/52/63/56/453526356.db2.gz WZXSCXVBNFKBEQ-LSDHHAIUSA-N 2 0 326.485 1.269 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662814989 453548278 /nfs/dbraw/zinc/54/82/78/453548278.db2.gz AVYBACIUUCAVKQ-SWLSCSKDSA-N 2 0 333.398 1.765 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662825509 453553134 /nfs/dbraw/zinc/55/31/34/453553134.db2.gz JDCBUPORSZGKCO-OAHLLOKOSA-N 2 0 348.495 1.354 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000662825508 453553214 /nfs/dbraw/zinc/55/32/14/453553214.db2.gz JDCBUPORSZGKCO-HNNXBMFYSA-N 2 0 348.495 1.354 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662831422 453556793 /nfs/dbraw/zinc/55/67/93/453556793.db2.gz AJCHHEQNRCXCRO-QGZVFWFLSA-N 2 0 343.471 1.659 20 0 EDADRP Cc1ccc(NC(=O)N2CC3CC2(C[NH3+])C3)c(OCC[NH+](C)C)c1 ZINC000658997723 453572685 /nfs/dbraw/zinc/57/26/85/453572685.db2.gz DEMAJYVSXXTLLU-UHFFFAOYSA-N 2 0 332.448 1.890 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857468 453573241 /nfs/dbraw/zinc/57/32/41/453573241.db2.gz BJSBADSOSWQRIZ-SQNIBIBYSA-N 2 0 331.460 1.258 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857898 453573687 /nfs/dbraw/zinc/57/36/87/453573687.db2.gz CRNDLRSCVHZTQU-MJGOQNOKSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000662859905 453575124 /nfs/dbraw/zinc/57/51/24/453575124.db2.gz UZSFHJISQIRDDE-IBGZPJMESA-N 2 0 330.476 1.800 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1F ZINC000662870223 453581959 /nfs/dbraw/zinc/58/19/59/453581959.db2.gz AAJRSGLFSRLAOW-QMYADUOMSA-N 2 0 347.434 1.396 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660855071 453611842 /nfs/dbraw/zinc/61/18/42/453611842.db2.gz JERBGRMGBFPVBW-OAHLLOKOSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236412 453619006 /nfs/dbraw/zinc/61/90/06/453619006.db2.gz MAPCGVYJISPZHF-LLVKDONJSA-N 2 0 343.269 1.681 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665270645 453631103 /nfs/dbraw/zinc/63/11/03/453631103.db2.gz LDMFHFSUWPNAGH-IRXDYDNUSA-N 2 0 337.533 1.804 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000662973789 453631849 /nfs/dbraw/zinc/63/18/49/453631849.db2.gz WBOFZRIIXZIPTP-WMZOPIPTSA-N 2 0 331.460 1.443 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000663003294 453643739 /nfs/dbraw/zinc/64/37/39/453643739.db2.gz LISKOHMVEKLLKM-DZGCQCFKSA-N 2 0 333.398 1.767 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[C@H](N4CC[NH2+]CC4)C3)c2cc1OC ZINC000663238415 453742823 /nfs/dbraw/zinc/74/28/23/453742823.db2.gz ATQVWUKFRCMWKH-AWEZNQCLSA-N 2 0 342.443 1.736 20 0 EDADRP C[C@H]1[C@H](NC(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000661193916 453753873 /nfs/dbraw/zinc/75/38/73/453753873.db2.gz VEMCBMRVXQTCOF-MAUKXSAKSA-N 2 0 330.476 1.852 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1CCOCC1 ZINC000657299193 453759751 /nfs/dbraw/zinc/75/97/51/453759751.db2.gz SHLKEYAMTMEUOB-GOSISDBHSA-N 2 0 329.448 1.714 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512510 453813477 /nfs/dbraw/zinc/81/34/77/453813477.db2.gz NUMUHUPWEHETJE-ZACQAIPSSA-N 3 0 346.523 1.387 20 0 EDADRP CCNc1nc(NC(C)(C)C)nc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1 ZINC000672238532 486671001 /nfs/dbraw/zinc/67/10/01/486671001.db2.gz XBBFAVIEVSYACA-KBPBESRZSA-N 2 0 347.511 1.856 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000680202048 486720038 /nfs/dbraw/zinc/72/00/38/486720038.db2.gz TYPDYOWBFMJZFA-IBGZPJMESA-N 2 0 347.503 1.985 20 0 EDADRP O=C([C@@H]1CCc2nc[nH]c2C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000667423930 486774504 /nfs/dbraw/zinc/77/45/04/486774504.db2.gz YKWFVEAKOXRDKC-HUUCEWRRSA-N 2 0 332.448 1.228 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000416968123 486789747 /nfs/dbraw/zinc/78/97/47/486789747.db2.gz ITTMGTAYKURALK-HOTGVXAUSA-N 2 0 348.491 1.657 20 0 EDADRP CCOC1CC(C[NH2+][C@H](C)C2CC[NH+](C)CC2)(N2CCOCC2)C1 ZINC000683693627 486792945 /nfs/dbraw/zinc/79/29/45/486792945.db2.gz IYCCXFAREPYULL-IPJUCJBFSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000680581809 486818462 /nfs/dbraw/zinc/81/84/62/486818462.db2.gz FKWWOKRUHGNYLL-XXZQBKANSA-N 2 0 335.536 1.789 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000683847670 486836591 /nfs/dbraw/zinc/83/65/91/486836591.db2.gz JFMFYRWFQZKGEG-DLBZAZTESA-N 2 0 337.508 1.556 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000670393265 486892239 /nfs/dbraw/zinc/89/22/39/486892239.db2.gz SYZBCZVDITXRSC-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H](c1ccccc1)[C@@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000680991460 486914629 /nfs/dbraw/zinc/91/46/29/486914629.db2.gz IDMGLIMGERWBBV-DNVCBOLYSA-N 2 0 345.487 1.484 20 0 EDADRP C[C@H](c1ccccc1)[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000680991459 486914831 /nfs/dbraw/zinc/91/48/31/486914831.db2.gz IDMGLIMGERWBBV-BEFAXECRSA-N 2 0 345.487 1.484 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000681136634 486948204 /nfs/dbraw/zinc/94/82/04/486948204.db2.gz YYIRLWFXPYKPTD-UHFFFAOYSA-N 2 0 333.455 1.979 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(CO)CCCCC1)c1ccccc1 ZINC000681209930 486973822 /nfs/dbraw/zinc/97/38/22/486973822.db2.gz DSCHGXNXLXMADG-QGZVFWFLSA-N 2 0 333.476 1.690 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000667812554 486978294 /nfs/dbraw/zinc/97/82/94/486978294.db2.gz PYMMXJHWGZGVJQ-HOTGVXAUSA-N 2 0 347.507 1.389 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681274428 486998467 /nfs/dbraw/zinc/99/84/67/486998467.db2.gz OUXLYXQMHGEWDN-WBVHZDCISA-N 2 0 338.540 1.780 20 0 EDADRP CC(C)[NH+]1CCN(C2CCN(C(=O)NCCn3ccnc3)CC2)CC1 ZINC000677649678 487142352 /nfs/dbraw/zinc/14/23/52/487142352.db2.gz LOEMLTNDYWBDNJ-UHFFFAOYSA-N 2 0 348.495 1.083 20 0 EDADRP O=S1(=O)CC[C@@H](CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000677690107 487152282 /nfs/dbraw/zinc/15/22/82/487152282.db2.gz NRKGUZXSUWOKSX-MRXNPFEDSA-N 2 0 344.521 1.388 20 0 EDADRP c1cnc2c(c1)CCC[C@H]2[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000684956360 487200082 /nfs/dbraw/zinc/20/00/82/487200082.db2.gz BTTGCVYTPBLMBG-ZWKOTPCHSA-N 2 0 330.476 1.455 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+](C)C)CCOCC1)c1ccccc1 ZINC000674246213 487222948 /nfs/dbraw/zinc/22/29/48/487222948.db2.gz GPKYLFZMMUUJDH-CVEARBPZSA-N 2 0 333.476 1.953 20 0 EDADRP C[NH+](C)CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000683198903 487459547 /nfs/dbraw/zinc/45/95/47/487459547.db2.gz UQSGOHJCCXFQSR-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669539462 485522220 /nfs/dbraw/zinc/52/22/20/485522220.db2.gz ASJRTKUADZZHBI-XHSDSOJGSA-N 2 0 326.485 1.112 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000669570404 485589522 /nfs/dbraw/zinc/58/95/22/485589522.db2.gz GMPPMFOKTHLZST-ZWKOTPCHSA-N 2 0 346.475 1.268 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000396467291 485895538 /nfs/dbraw/zinc/89/55/38/485895538.db2.gz UMZHKWRHMQOLLR-AWEZNQCLSA-N 2 0 339.505 1.757 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000669283194 485924504 /nfs/dbraw/zinc/92/45/04/485924504.db2.gz ISWMQVXPKWSEMW-BBWFWOEESA-N 2 0 340.512 1.501 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000668654337 485999751 /nfs/dbraw/zinc/99/97/51/485999751.db2.gz MCFFUSXISXPFCA-WBAXXEDZSA-N 2 0 348.491 1.609 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388796 486024433 /nfs/dbraw/zinc/02/44/33/486024433.db2.gz QLHBNOZVFVVXAR-IRXDYDNUSA-N 2 0 340.512 1.376 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1[NH3+] ZINC000669389590 486025505 /nfs/dbraw/zinc/02/55/05/486025505.db2.gz ZUSWEYDASJTXPB-UONOGXRCSA-N 2 0 326.510 1.337 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C ZINC000347934018 486029838 /nfs/dbraw/zinc/02/98/38/486029838.db2.gz RJAKLPBZMKFSMV-HNAYVOBHSA-N 2 0 347.507 1.794 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669469570 486221045 /nfs/dbraw/zinc/22/10/45/486221045.db2.gz LNAONPHJBSRGNN-AWEZNQCLSA-N 2 0 326.485 1.317 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000669470804 486222857 /nfs/dbraw/zinc/22/28/57/486222857.db2.gz ZRCTWECXIZYDRL-AWEZNQCLSA-N 2 0 326.485 1.447 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000670788377 486223016 /nfs/dbraw/zinc/22/30/16/486223016.db2.gz DAHZULAXABDWDC-QGZVFWFLSA-N 2 0 327.432 1.186 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931832 486357854 /nfs/dbraw/zinc/35/78/54/486357854.db2.gz PKJHLKBEHJGRQW-JONQDZQNSA-N 2 0 348.495 1.270 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000669853165 486482848 /nfs/dbraw/zinc/48/28/48/486482848.db2.gz MHIZFIHFJLNOJO-WMZOPIPTSA-N 2 0 345.487 1.986 20 0 EDADRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CN(C)CCO1 ZINC000133016484 491218983 /nfs/dbraw/zinc/21/89/83/491218983.db2.gz WSLFKAPDLXMIMI-GXTWGEPZSA-N 2 0 326.485 1.314 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000080157451 491172218 /nfs/dbraw/zinc/17/22/18/491172218.db2.gz GVAURCJUOVAPLW-CQSZACIVSA-N 2 0 333.436 1.063 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000668474494 491176506 /nfs/dbraw/zinc/17/65/06/491176506.db2.gz AMQNZTFEZBKVLA-AWEZNQCLSA-N 2 0 334.464 1.379 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C[C@H](C)O1 ZINC000183601817 533928836 /nfs/dbraw/zinc/92/88/36/533928836.db2.gz MOAHDFZQWJEVDW-GJZGRUSLSA-N 2 0 334.464 1.767 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000187286202 528537269 /nfs/dbraw/zinc/53/72/69/528537269.db2.gz NZXAUUXKOZDWSB-SFHVURJKSA-N 2 0 348.491 1.264 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000175027721 528987128 /nfs/dbraw/zinc/98/71/28/528987128.db2.gz SYNPRUOCHDOCBY-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519238 535060486 /nfs/dbraw/zinc/06/04/86/535060486.db2.gz BEMFIXVDKVMZQF-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000077826498 535536607 /nfs/dbraw/zinc/53/66/07/535536607.db2.gz XOXZHWKOHQCOSR-QGZVFWFLSA-N 2 0 336.480 1.939 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)CCC[NH3+])CC1 ZINC000263249102 535746058 /nfs/dbraw/zinc/74/60/58/535746058.db2.gz IUUBYCAFQLGBIY-AWEZNQCLSA-N 2 0 336.455 1.884 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)c2)CC1 ZINC000331574467 535752698 /nfs/dbraw/zinc/75/26/98/535752698.db2.gz HWVYJAYAWYTOPP-WMLDXEAASA-N 2 0 331.464 1.639 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000339954124 536000124 /nfs/dbraw/zinc/00/01/24/536000124.db2.gz IDSWLTIZADNTLU-UHFFFAOYSA-N 2 0 337.383 1.747 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)[NH+](CC)CC ZINC000347989922 536090092 /nfs/dbraw/zinc/09/00/92/536090092.db2.gz BFWVHIVBXUWKPH-YESZJQIVSA-N 2 0 325.497 1.819 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)[C@@H]1C ZINC000354622118 536319288 /nfs/dbraw/zinc/31/92/88/536319288.db2.gz BGQJXFCJLKWQBL-YVSFHVDLSA-N 2 0 325.497 1.580 20 0 EDADRP C[N@H+](CCNC(=O)NCC1=CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000271826870 536378155 /nfs/dbraw/zinc/37/81/55/536378155.db2.gz DKJHEGIVRMEEQW-UHFFFAOYSA-N 2 0 334.439 1.819 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)CC2)c1 ZINC000237372332 537115098 /nfs/dbraw/zinc/11/50/98/537115098.db2.gz JTYGTZKRUAQCPN-HNNXBMFYSA-N 2 0 346.475 1.765 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)c1 ZINC000345472425 537115398 /nfs/dbraw/zinc/11/53/98/537115398.db2.gz VKYBCBIMIVQPSP-GJZGRUSLSA-N 2 0 332.448 1.612 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884271 579388156 /nfs/dbraw/zinc/38/81/56/579388156.db2.gz SXNKOVLWMGEKCD-ZBFHGGJFSA-N 2 0 339.505 1.681 20 0 EDADRP Fc1ccc(-c2nn[nH]n2)cc1CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000737649314 578280109 /nfs/dbraw/zinc/28/01/09/578280109.db2.gz LMDWFHCGKOUNMO-ZDUSSCGKSA-N 2 0 330.411 1.924 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118098 578506048 /nfs/dbraw/zinc/50/60/48/578506048.db2.gz XJCPOHFAYOZCAW-LSDHHAIUSA-N 2 0 337.430 1.649 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000746258238 578622325 /nfs/dbraw/zinc/62/23/25/578622325.db2.gz FLRMPDHNMUAALI-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011846 579791248 /nfs/dbraw/zinc/79/12/48/579791248.db2.gz PLVCHSFVRWUEED-HOTGVXAUSA-N 2 0 342.553 1.388 20 0 EDADRP Cc1cc(OCC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000756125005 579943988 /nfs/dbraw/zinc/94/39/88/579943988.db2.gz SOMQHZGWFCEDTO-XYPWUTKMSA-N 2 0 348.447 1.131 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC(C)(C)[NH2+]C)cc2)CC1 ZINC000775977702 580405654 /nfs/dbraw/zinc/40/56/54/580405654.db2.gz UJUYVUJDVDOUIF-UHFFFAOYSA-N 2 0 333.480 1.948 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000893237200 590726977 /nfs/dbraw/zinc/72/69/77/590726977.db2.gz FWASMWWMPSZDNO-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000892006109 590739458 /nfs/dbraw/zinc/73/94/58/590739458.db2.gz WOTVRRYDXZPNMX-BPQIPLTHSA-N 2 0 330.476 1.806 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CCCCC1 ZINC000892006604 590740054 /nfs/dbraw/zinc/74/00/54/590740054.db2.gz JTFLPTBFZAHPLI-ZWKOTPCHSA-N 2 0 330.476 1.908 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000892025713 590756594 /nfs/dbraw/zinc/75/65/94/590756594.db2.gz ZGPLLYSQLMACOC-FHLIZLRMSA-N 2 0 330.476 1.791 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H]1C[NH+](C)C ZINC000892031476 590760786 /nfs/dbraw/zinc/76/07/86/590760786.db2.gz WTRHOSMFWYWQKO-KURKYZTESA-N 2 0 347.507 1.067 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000892031595 590760804 /nfs/dbraw/zinc/76/08/04/590760804.db2.gz ZHIZACXMTJEDJV-GOSISDBHSA-N 2 0 348.491 1.686 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000892038138 590763694 /nfs/dbraw/zinc/76/36/94/590763694.db2.gz AFVZXEDCEVCXEB-MRXNPFEDSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893302408 590766942 /nfs/dbraw/zinc/76/69/42/590766942.db2.gz FZEJEBZAAUFSIS-GDBMZVCRSA-N 2 0 337.489 1.711 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000892089996 590793060 /nfs/dbraw/zinc/79/30/60/590793060.db2.gz WGBFYKZWBSURON-ZOBUZTSGSA-N 2 0 332.448 1.621 20 0 EDADRP C[C@H]1C[N@H+](CCCOC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CCO1 ZINC000893387030 590827223 /nfs/dbraw/zinc/82/72/23/590827223.db2.gz YTUFNTSSRLCFLG-YOEHRIQHSA-N 2 0 330.444 1.853 20 0 EDADRP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000892213011 590867508 /nfs/dbraw/zinc/86/75/08/590867508.db2.gz UDGGXLCFJWLPOK-MSOLQXFVSA-N 2 0 332.492 1.895 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892213778 590868162 /nfs/dbraw/zinc/86/81/62/590868162.db2.gz JSNQOTSZCUFQIQ-GOSISDBHSA-N 2 0 332.492 1.978 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[C@H]1OC ZINC000893486587 590904177 /nfs/dbraw/zinc/90/41/77/590904177.db2.gz GANPFIPNQBAWPP-UAFMIMERSA-N 2 0 348.487 1.925 20 0 EDADRP C[NH+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892331260 590956998 /nfs/dbraw/zinc/95/69/98/590956998.db2.gz URGIRNOBGOUFNE-SQNIBIBYSA-N 2 0 330.476 1.725 20 0 EDADRP COCCC1(NC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[NH2+]CC1 ZINC000892376604 590999997 /nfs/dbraw/zinc/99/99/97/590999997.db2.gz AAJOLYHVIGODEX-AWEZNQCLSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000893621649 591014393 /nfs/dbraw/zinc/01/43/93/591014393.db2.gz USKGZPVEXCARJO-IBGZPJMESA-N 2 0 345.487 1.388 20 0 EDADRP CC1(C)CN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1CCO ZINC000892407089 591014695 /nfs/dbraw/zinc/01/46/95/591014695.db2.gz ULUIZSWBJKELNB-QGZVFWFLSA-N 2 0 348.491 1.045 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000892444948 591030228 /nfs/dbraw/zinc/03/02/28/591030228.db2.gz VIIUGKOKTRDWSK-JCNLHEQBSA-N 2 0 338.496 1.258 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000892461140 591035840 /nfs/dbraw/zinc/03/58/40/591035840.db2.gz AZKAWMHTRYVCLA-KLHKWILBSA-N 2 0 336.480 1.106 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484981 591044487 /nfs/dbraw/zinc/04/44/87/591044487.db2.gz RULQAKGOBGCHPJ-GJZGRUSLSA-N 2 0 340.512 1.251 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892497572 591049715 /nfs/dbraw/zinc/04/97/15/591049715.db2.gz SGALWWCJHWZZIW-MRXNPFEDSA-N 2 0 342.528 1.764 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)C1 ZINC000892499379 591050735 /nfs/dbraw/zinc/05/07/35/591050735.db2.gz WNDKOLBMZQYDEF-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000892503459 591051506 /nfs/dbraw/zinc/05/15/06/591051506.db2.gz INTUXSDFBYMWSN-UHFFFAOYSA-N 2 0 330.476 1.904 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892532333 591062353 /nfs/dbraw/zinc/06/23/53/591062353.db2.gz KGQQKDRXGPDMMM-OPFPJEHXSA-N 2 0 332.439 1.793 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC000891395962 591066840 /nfs/dbraw/zinc/06/68/40/591066840.db2.gz CHHNMQRLMDKNHZ-MAUKXSAKSA-N 2 0 330.476 1.875 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1C(F)(F)F ZINC000892584083 591081756 /nfs/dbraw/zinc/08/17/56/591081756.db2.gz GMTCCQYKALVPPU-LBELIVKGSA-N 2 0 334.386 1.296 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000891514759 591104308 /nfs/dbraw/zinc/10/43/08/591104308.db2.gz YWZJBVSYLCRSKS-VKJFTORMSA-N 2 0 338.496 1.256 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561256 591126002 /nfs/dbraw/zinc/12/60/02/591126002.db2.gz VXZILEXDHIEMKA-HNNXBMFYSA-N 3 0 337.512 1.116 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000891565599 591127940 /nfs/dbraw/zinc/12/79/40/591127940.db2.gz QENCUZCIBIWRKS-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892756715 591162024 /nfs/dbraw/zinc/16/20/24/591162024.db2.gz QQDOQXGQFWIBSL-KRWDZBQOSA-N 2 0 346.475 1.316 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764671 591166235 /nfs/dbraw/zinc/16/62/35/591166235.db2.gz WDJYHFGOXQDNNN-SCTDSRPQSA-N 2 0 345.491 1.056 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764669 591166340 /nfs/dbraw/zinc/16/63/40/591166340.db2.gz WDJYHFGOXQDNNN-JENIJYKNSA-N 2 0 345.491 1.056 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891648368 591167699 /nfs/dbraw/zinc/16/76/99/591167699.db2.gz URHJSPNNVFHHON-OKZBNKHCSA-N 2 0 330.476 1.873 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000891658912 591172174 /nfs/dbraw/zinc/17/21/74/591172174.db2.gz AUFBNUIOUCRSPY-XOKHGSTOSA-N 2 0 328.460 1.625 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892788322 591178823 /nfs/dbraw/zinc/17/88/23/591178823.db2.gz CBGBLWGGAHWDEX-ROUUACIJSA-N 2 0 330.476 1.825 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2[C@H](C(=O)OC)C2(F)F)C1 ZINC000894073276 591185545 /nfs/dbraw/zinc/18/55/45/591185545.db2.gz URIUSUVBLWXOCS-MGPQQGTHSA-N 2 0 334.407 1.473 20 0 EDADRP C[NH+](C)Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)c2c1OC(F)(F)O2 ZINC000894097113 591193044 /nfs/dbraw/zinc/19/30/44/591193044.db2.gz BLMQIPYIXCBOSL-KBPBESRZSA-N 2 0 339.386 1.721 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835760 591197986 /nfs/dbraw/zinc/19/79/86/591197986.db2.gz DZGUJZGTLJKRAX-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000894164012 591213307 /nfs/dbraw/zinc/21/33/07/591213307.db2.gz NYOKLNFHMQXBJI-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1nc2ncccc2nc1NC[C@@H]1CC[N@H+]1C ZINC000895771100 591269658 /nfs/dbraw/zinc/26/96/58/591269658.db2.gz GNOZRRNGJOTGMQ-QWHCGFSZSA-N 2 0 327.436 1.257 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2COCC2(C)C)CC1 ZINC000894319887 591277178 /nfs/dbraw/zinc/27/71/78/591277178.db2.gz GQMNSJPIFFKVOL-HNNXBMFYSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(C2CC2)CC1 ZINC000896016780 591324210 /nfs/dbraw/zinc/32/42/10/591324210.db2.gz GBDUROPPZRCLFD-UHFFFAOYSA-N 2 0 328.460 1.900 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000896131683 591354933 /nfs/dbraw/zinc/35/49/33/591354933.db2.gz BVUKDPMFMVLEGR-GOSISDBHSA-N 2 0 335.492 1.574 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1(F)F ZINC000894764516 591413587 /nfs/dbraw/zinc/41/35/87/591413587.db2.gz BALMCXVDEQFRLU-GJZGRUSLSA-N 2 0 345.434 1.000 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000898597161 591430020 /nfs/dbraw/zinc/43/00/20/591430020.db2.gz DACSXVSIBGBZEI-UHFFFAOYSA-N 2 0 331.464 1.645 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000897455808 591461150 /nfs/dbraw/zinc/46/11/50/591461150.db2.gz VSXHZUGXXQOHFZ-SJORKVTESA-N 2 0 338.496 1.082 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000897469668 591471029 /nfs/dbraw/zinc/47/10/29/591471029.db2.gz OJRNALJLMWJDKL-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000897500955 591504376 /nfs/dbraw/zinc/50/43/76/591504376.db2.gz JZIVWKKFAYPJKD-IRXDYDNUSA-N 2 0 338.496 1.225 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)[C@H]1C[NH+](C)CCN1C)c1ccccc1 ZINC000896561543 591524996 /nfs/dbraw/zinc/52/49/96/591524996.db2.gz ADTBZCWVTIMGQJ-JQHSSLGASA-N 2 0 332.492 1.430 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897545540 591545213 /nfs/dbraw/zinc/54/52/13/591545213.db2.gz PZYUCJPBCPLHRX-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897548718 591547555 /nfs/dbraw/zinc/54/75/55/591547555.db2.gz MQSTYIDZCJBVQS-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC1 ZINC000896626447 591553191 /nfs/dbraw/zinc/55/31/91/591553191.db2.gz VRQWEYXYWBQPCG-RTBURBONSA-N 2 0 345.487 1.860 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000899018746 591642884 /nfs/dbraw/zinc/64/28/84/591642884.db2.gz AKNSCVOIWQYRBQ-INIZCTEOSA-N 2 0 335.492 1.335 20 0 EDADRP F[C@@H]1CC2(CC[C@@H]1[NH2+]C1CCN([C@@H]3CCOC3)CC1)OCCO2 ZINC000895437768 591757920 /nfs/dbraw/zinc/75/79/20/591757920.db2.gz YQZCFODNRKJQSP-OAGGEKHMSA-N 2 0 328.428 1.463 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897232235 591778639 /nfs/dbraw/zinc/77/86/39/591778639.db2.gz MOYRUUZAJRZMFI-SFHVURJKSA-N 2 0 329.444 1.400 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000895535623 591794813 /nfs/dbraw/zinc/79/48/13/591794813.db2.gz AYYMHRYZQJPWQB-KRWDZBQOSA-N 2 0 340.508 1.787 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CC1 ZINC000897271210 591798489 /nfs/dbraw/zinc/79/84/89/591798489.db2.gz IEMRZHMCQVHKPQ-UHFFFAOYSA-N 2 0 343.537 1.608 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cncs1 ZINC000898179887 591824069 /nfs/dbraw/zinc/82/40/69/591824069.db2.gz OVYMHDBNJIYHQT-BFHYXJOUSA-N 2 0 339.509 1.585 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)C[C@@H]1C ZINC000898186309 591827557 /nfs/dbraw/zinc/82/75/57/591827557.db2.gz NKWOETHRRSPHCM-VBQJREDUSA-N 2 0 349.479 1.358 20 0 EDADRP CC[NH+]1CCC(NC(=O)CONC(=[NH2+])COc2ccccc2)CC1 ZINC000902175742 591932502 /nfs/dbraw/zinc/93/25/02/591932502.db2.gz UXFLBEADGWZXHW-UHFFFAOYSA-N 2 0 334.420 1.164 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000900285139 591971483 /nfs/dbraw/zinc/97/14/83/591971483.db2.gz IPRZMTRIMGMMKI-SJLPKXTDSA-N 2 0 337.439 1.391 20 0 EDADRP C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)C1([NH3+])CC1 ZINC000902346903 591978002 /nfs/dbraw/zinc/97/80/02/591978002.db2.gz MGGLTXYXULMDBL-MRXNPFEDSA-N 2 0 330.476 1.585 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCN2C(C)(C)C)CC1 ZINC000900339937 591988693 /nfs/dbraw/zinc/98/86/93/591988693.db2.gz UEWWXLJEBCBRNP-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000902485191 592005422 /nfs/dbraw/zinc/00/54/22/592005422.db2.gz IXEJCUFNVLNHDO-DDBAPUKQSA-N 2 0 347.459 1.739 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900406557 592010322 /nfs/dbraw/zinc/01/03/22/592010322.db2.gz IYBHDQVVEDFYGR-NSHGMRRFSA-N 2 0 345.487 1.470 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900429215 592015411 /nfs/dbraw/zinc/01/54/11/592015411.db2.gz JLHYYRBXIMLRIC-AOCRQIFASA-N 2 0 337.508 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C2CC2)o1 ZINC000900480120 592030185 /nfs/dbraw/zinc/03/01/85/592030185.db2.gz BZPUEQCTJXRNGO-CQSZACIVSA-N 2 0 335.452 1.435 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000903091224 592118456 /nfs/dbraw/zinc/11/84/56/592118456.db2.gz PNZYMKNDUQLANB-CABCVRRESA-N 2 0 340.512 1.658 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3n(n1)CCC3)C2 ZINC000903113287 592123081 /nfs/dbraw/zinc/12/30/81/592123081.db2.gz VMJWDJYCHZCSFR-HMIGGYHTSA-N 2 0 332.492 1.960 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180611 592131383 /nfs/dbraw/zinc/13/13/83/592131383.db2.gz GFKYOKBCLLFGTP-INIZCTEOSA-N 2 0 331.460 1.870 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900867705 592161960 /nfs/dbraw/zinc/16/19/60/592161960.db2.gz CBCUVNOUVYZJPD-AOIWGVFYSA-N 2 0 331.460 1.174 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cc(-c3ccco3)on2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903522124 592196502 /nfs/dbraw/zinc/19/65/02/592196502.db2.gz LVNBLMLPFRMKHO-KDOFPFPSSA-N 2 0 344.415 1.671 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646377 592232091 /nfs/dbraw/zinc/23/20/91/592232091.db2.gz REBHWUQYLZOACO-GASCZTMLSA-N 2 0 346.475 1.568 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)C1 ZINC000904335359 592233781 /nfs/dbraw/zinc/23/37/81/592233781.db2.gz CULTXMGYFWADGE-XBXGTLAGSA-N 2 0 341.452 1.306 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cn1 ZINC000904360250 592238415 /nfs/dbraw/zinc/23/84/15/592238415.db2.gz JWMRMBJPSBAXQX-HZPDHXFCSA-N 2 0 328.420 1.191 20 0 EDADRP Cc1nc(CN2CCC(C[NH2+]C3CCN(CC[NH3+])CC3)CC2)oc1C ZINC000904361049 592238480 /nfs/dbraw/zinc/23/84/80/592238480.db2.gz TXZJSXAKMBYFNW-UHFFFAOYSA-N 2 0 349.523 1.516 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906657633 592238880 /nfs/dbraw/zinc/23/88/80/592238880.db2.gz NGFBCLPEJJXKBM-CZUORRHYSA-N 2 0 346.475 1.664 20 0 EDADRP C[C@@H](c1ccncc1)N1CCC([NH2+]C2CCN(CC[NH3+])CC2)CC1 ZINC000904363753 592240875 /nfs/dbraw/zinc/24/08/75/592240875.db2.gz BSNGVPJDGVWNKC-INIZCTEOSA-N 2 0 331.508 1.620 20 0 EDADRP [NH3+]C[C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1C(F)(F)F ZINC000904384634 592247476 /nfs/dbraw/zinc/24/74/76/592247476.db2.gz KTPLBAJLULXLNS-WCQYABFASA-N 2 0 332.370 1.258 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906669110 592250945 /nfs/dbraw/zinc/25/09/45/592250945.db2.gz QCEICRUEGLIERD-INIZCTEOSA-N 2 0 346.475 1.760 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000901153499 592264075 /nfs/dbraw/zinc/26/40/75/592264075.db2.gz WSSREZUMMSKTCZ-SJLPKXTDSA-N 2 0 325.497 1.317 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000901157064 592266359 /nfs/dbraw/zinc/26/63/59/592266359.db2.gz KHXJFNOBRQDFLR-SUMDDJOVSA-N 2 0 335.492 1.309 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000904484208 592270424 /nfs/dbraw/zinc/27/04/24/592270424.db2.gz FDKACFAYKCNOBW-UHFFFAOYSA-N 2 0 336.484 1.674 20 0 EDADRP NS(=O)(=O)c1ccc(C2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000903707921 592279637 /nfs/dbraw/zinc/27/96/37/592279637.db2.gz VPUUSUVAVDFMGZ-UHFFFAOYSA-N 2 0 337.489 1.513 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C1 ZINC000906709153 592281078 /nfs/dbraw/zinc/28/10/78/592281078.db2.gz LFTQUBOAEZRCGI-ROUUACIJSA-N 2 0 336.524 1.347 20 0 EDADRP Cc1ncsc1CN(C[C@H](O)C[NH+]1CCCC1)C[C@@H]1CC[NH2+]C1 ZINC000903745679 592292386 /nfs/dbraw/zinc/29/23/86/592292386.db2.gz NUWGMMZPZOCOGU-HZPDHXFCSA-N 2 0 338.521 1.320 20 0 EDADRP Cn1ccnc1CN(C[C@@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746067 592293851 /nfs/dbraw/zinc/29/38/51/592293851.db2.gz VNKIDDNVUYZACB-IAGOWNOFSA-N 2 0 331.508 1.754 20 0 EDADRP c1ccc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903733550 592296928 /nfs/dbraw/zinc/29/69/28/592296928.db2.gz NQPGZZXONHUQIM-IBGZPJMESA-N 2 0 329.488 1.963 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)n2)ccn1 ZINC000904625450 592298436 /nfs/dbraw/zinc/29/84/36/592298436.db2.gz BWEIYDDAGUZYKJ-MELADBBJSA-N 2 0 345.403 1.264 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)Nc2ccccc2C[NH3+])ccn1 ZINC000904645805 592302710 /nfs/dbraw/zinc/30/27/10/592302710.db2.gz DDZFCYHZICYEAA-UHFFFAOYSA-N 2 0 343.431 1.802 20 0 EDADRP c1ccc(NC[C@@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)nc1 ZINC000903742627 592304755 /nfs/dbraw/zinc/30/47/55/592304755.db2.gz YHPDKALWIJQRLO-DLBZAZTESA-N 2 0 330.476 1.974 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000906725395 592314569 /nfs/dbraw/zinc/31/45/69/592314569.db2.gz VSNLUETYUMOTPL-IJEWVQPXSA-N 2 0 330.432 1.004 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793060 592315582 /nfs/dbraw/zinc/31/55/82/592315582.db2.gz LRBRFMURQVPQNC-WMZOPIPTSA-N 2 0 336.476 1.391 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C(=O)OC ZINC000903790864 592315994 /nfs/dbraw/zinc/31/59/94/592315994.db2.gz DZCPSSNNRNOTOI-XJKSGUPXSA-N 2 0 341.496 1.387 20 0 EDADRP CCCNC(=O)NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794216 592317324 /nfs/dbraw/zinc/31/73/24/592317324.db2.gz PRDUPIXBXKCVOW-UHFFFAOYSA-N 2 0 332.448 1.215 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C[C@@H](C)O1 ZINC000903794009 592317331 /nfs/dbraw/zinc/31/73/31/592317331.db2.gz MVDSLUKUZXDXCE-IAGOWNOFSA-N 2 0 345.487 1.615 20 0 EDADRP CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903898733 592369691 /nfs/dbraw/zinc/36/96/91/592369691.db2.gz OETCBUBLKZYBRY-HOTGVXAUSA-N 2 0 349.479 1.758 20 0 EDADRP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903899368 592370648 /nfs/dbraw/zinc/37/06/48/592370648.db2.gz TWXFICOQDLVLEL-WMZOPIPTSA-N 2 0 330.480 1.515 20 0 EDADRP O=C(c1cccc(O)c1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904485 592373034 /nfs/dbraw/zinc/37/30/34/592373034.db2.gz WETOOVOTECXWBE-ZXFUBFMLSA-N 2 0 329.444 1.681 20 0 EDADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912271 592375022 /nfs/dbraw/zinc/37/50/22/592375022.db2.gz CJMGPNFTAQGAFH-GJZGRUSLSA-N 2 0 329.452 1.316 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]C[C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903922883 592378396 /nfs/dbraw/zinc/37/83/96/592378396.db2.gz GYEMXNNHVZSPKX-MSOLQXFVSA-N 2 0 341.503 1.962 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000903923404 592378577 /nfs/dbraw/zinc/37/85/77/592378577.db2.gz SVSHAVZWTRARKW-DOTOQJQBSA-N 2 0 326.448 1.571 20 0 EDADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927011 592380676 /nfs/dbraw/zinc/38/06/76/592380676.db2.gz WOOABDGEWXESBT-WFASDCNBSA-N 2 0 331.468 1.274 20 0 EDADRP COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932744 592384775 /nfs/dbraw/zinc/38/47/75/592384775.db2.gz VJWUWZYAVQHCPP-RHSMWYFYSA-N 2 0 344.459 1.968 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)c1 ZINC000905088137 592393154 /nfs/dbraw/zinc/39/31/54/592393154.db2.gz HKOCVHNNWWSFLS-KRWDZBQOSA-N 2 0 336.476 1.773 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955123 592396004 /nfs/dbraw/zinc/39/60/04/592396004.db2.gz KYGIHBMGNRCAFY-OAHLLOKOSA-N 2 0 327.419 1.961 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CC[C@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000905109044 592409990 /nfs/dbraw/zinc/40/99/90/592409990.db2.gz BDSXSYWDXUEGLB-HOJAQTOUSA-N 2 0 349.519 1.334 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC000905093735 592419627 /nfs/dbraw/zinc/41/96/27/592419627.db2.gz BJBJVWGIFMPETH-MJGOQNOKSA-N 2 0 335.492 1.180 20 0 EDADRP CCOC(=O)C1CCN(C(=O)CN(C)C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316709 592475516 /nfs/dbraw/zinc/47/55/16/592475516.db2.gz QIZVCEIBIATALH-GOSISDBHSA-N 2 0 339.480 1.110 20 0 EDADRP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904337181 592475532 /nfs/dbraw/zinc/47/55/32/592475532.db2.gz PZDJZJHOSKWYLA-CALCHBBNSA-N 2 0 330.476 1.597 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000905342087 592511761 /nfs/dbraw/zinc/51/17/61/592511761.db2.gz FHTBBJWIVPTHFL-UHFFFAOYSA-N 2 0 343.537 1.703 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905380524 592512317 /nfs/dbraw/zinc/51/23/17/592512317.db2.gz GRAMCLMRKGGQTP-WBVHZDCISA-N 2 0 327.419 1.408 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905398793 592520498 /nfs/dbraw/zinc/52/04/98/592520498.db2.gz GTOFJMCCPCOJFY-GXSJLCMTSA-N 2 0 334.329 1.370 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)C2 ZINC000905496378 592553786 /nfs/dbraw/zinc/55/37/86/592553786.db2.gz SCZFICBYKOLDTC-DZVNLGKHSA-N 2 0 340.508 1.112 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000905600801 592574342 /nfs/dbraw/zinc/57/43/42/592574342.db2.gz NSZLUCDVDAKZNA-AQFXKWCLSA-N 2 0 326.481 1.276 20 0 EDADRP C[C@@H](O)C[NH2+]CCCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1 ZINC000905587371 592582551 /nfs/dbraw/zinc/58/25/51/592582551.db2.gz OUGYPNUWWFFMFK-OAHLLOKOSA-N 2 0 329.485 1.680 20 0 EDADRP CCn1c([C@@H]2CCC[NH+](C)[C@@H]2C)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908845300 592634856 /nfs/dbraw/zinc/63/48/56/592634856.db2.gz PHBYAWQBBMKTRA-YYAJDYIMSA-N 2 0 346.523 1.884 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806036 592789523 /nfs/dbraw/zinc/78/95/23/592789523.db2.gz QAKPRBMSIIRNDP-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)cccc21 ZINC000907844964 592824793 /nfs/dbraw/zinc/82/47/93/592824793.db2.gz VEYHUQAGKYCVRK-APWZRJJASA-N 2 0 347.459 1.857 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000910715542 592888678 /nfs/dbraw/zinc/88/86/78/592888678.db2.gz KKEKWOLLDOFFLZ-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634082 592970800 /nfs/dbraw/zinc/97/08/00/592970800.db2.gz ZGKZTTLDZHECHM-HKUYNNGSSA-N 2 0 333.476 1.690 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)N(C2CC2)C2CC[NH2+]CC2)cc1 ZINC000911676377 592979972 /nfs/dbraw/zinc/97/99/72/592979972.db2.gz IKBBKSTWVXHXMH-UHFFFAOYSA-N 2 0 331.460 1.700 20 0 EDADRP [NH3+][C@@H](CC(=O)NC1CCC([NH3+])CC1)Cc1cc(F)c(F)cc1F ZINC000911727321 592989519 /nfs/dbraw/zinc/98/95/19/592989519.db2.gz JWYLXZXSUOUFFK-MOENNCHZSA-N 2 0 329.366 1.750 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911746463 592995870 /nfs/dbraw/zinc/99/58/70/592995870.db2.gz UUHCKIKXNMFQKR-UKPHBRMFSA-N 2 0 343.427 1.389 20 0 EDADRP CC(C)([NH3+])CNC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911845692 593025258 /nfs/dbraw/zinc/02/52/58/593025258.db2.gz KKAXKXDLZOBBRH-LBPRGKRZSA-N 2 0 328.254 1.563 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]([C@@H]3CCCO3)C2)cc1 ZINC000911855377 593027538 /nfs/dbraw/zinc/02/75/38/593027538.db2.gz JELRQGDJUNHIMB-NBMRYCAZSA-N 2 0 331.460 1.870 20 0 EDADRP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](CC)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000912406848 593093704 /nfs/dbraw/zinc/09/37/04/593093704.db2.gz FNXVCUDUHPJLAB-SZMVWBNQSA-N 2 0 349.523 1.992 20 0 EDADRP CCn1ncc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000838906453 593230305 /nfs/dbraw/zinc/23/03/05/593230305.db2.gz MJLBFLLPAYVUHJ-UHFFFAOYSA-N 2 0 342.491 1.990 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)[C@H](C)C1 ZINC000839175493 593271148 /nfs/dbraw/zinc/27/11/48/593271148.db2.gz QDQINDFYXYPDLO-OWCLPIDISA-N 2 0 326.481 1.722 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000817913553 593648085 /nfs/dbraw/zinc/64/80/85/593648085.db2.gz JDYKQHIYKIVKKQ-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)CC[NH2+]CC1 ZINC000817917262 593648477 /nfs/dbraw/zinc/64/84/77/593648477.db2.gz NXYRUHIBHKJWAY-FOIQADDNSA-N 2 0 346.471 1.731 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819134538 593740789 /nfs/dbraw/zinc/74/07/89/593740789.db2.gz HPKFAHXIKIWQCS-QGZVFWFLSA-N 2 0 327.419 1.614 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccc(F)cn2)ccn1 ZINC000819195371 593743752 /nfs/dbraw/zinc/74/37/52/593743752.db2.gz BKJIHMDPIKBIKF-INIZCTEOSA-N 2 0 334.395 1.379 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@H+](C)CC1 ZINC000819219677 593744906 /nfs/dbraw/zinc/74/49/06/593744906.db2.gz FOMQTYPJPLSKLG-SUMWQHHRSA-N 2 0 338.473 1.364 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821351022 594024631 /nfs/dbraw/zinc/02/46/31/594024631.db2.gz IWKKXUCMLOYFBP-AWEZNQCLSA-N 2 0 336.415 1.452 20 0 EDADRP [NH3+][C@H](CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000826947111 594607691 /nfs/dbraw/zinc/60/76/91/594607691.db2.gz RWUIHJNPWGVEGV-LJQANCHMSA-N 2 0 344.503 1.438 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H]1C ZINC000827137040 594646585 /nfs/dbraw/zinc/64/65/85/594646585.db2.gz IWHAKFFJHMYEGY-DJSILETISA-N 2 0 338.496 1.362 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)c3csc(CN)n3)cc2)CC1 ZINC000827241022 594655636 /nfs/dbraw/zinc/65/56/36/594655636.db2.gz QWWNPIDMMJJMON-UHFFFAOYSA-N 2 0 345.472 1.996 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000836228153 594940401 /nfs/dbraw/zinc/94/04/01/594940401.db2.gz QOBUEYCPLILIEU-HNNXBMFYSA-N 2 0 333.480 1.900 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C2CCC2)CC1 ZINC000836283755 594946977 /nfs/dbraw/zinc/94/69/77/594946977.db2.gz NHTKQYXZMHAVEF-SJORKVTESA-N 2 0 336.480 1.166 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847361 594964855 /nfs/dbraw/zinc/96/48/55/594964855.db2.gz VGKIJEGWHDBEBT-MJBXVCDLSA-N 2 0 331.416 1.532 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc(CC[NH3+])cc1)C(C)C ZINC000842221392 595043236 /nfs/dbraw/zinc/04/32/36/595043236.db2.gz RUQUPBNABHUMSA-UHFFFAOYSA-N 2 0 348.491 1.039 20 0 EDADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000843341122 595079782 /nfs/dbraw/zinc/07/97/82/595079782.db2.gz ABCNUVAJUAFWSW-BRWVUGGUSA-N 2 0 337.489 1.084 20 0 EDADRP CCc1ccc2c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000842474703 595114579 /nfs/dbraw/zinc/11/45/79/595114579.db2.gz CELFTZGRMQRMCI-KRWDZBQOSA-N 2 0 341.455 1.835 20 0 EDADRP [NH3+]C1(CNC(=O)c2cccc[n+]2[O-])CC[NH+](Cc2ccccc2)CC1 ZINC000842511829 595124085 /nfs/dbraw/zinc/12/40/85/595124085.db2.gz FWHKRDAIIYEDME-UHFFFAOYSA-N 2 0 340.427 1.043 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000843489992 595128048 /nfs/dbraw/zinc/12/80/48/595128048.db2.gz VDGJYIAPCFMKHJ-CQSZACIVSA-N 2 0 342.871 1.470 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843073642 595281285 /nfs/dbraw/zinc/28/12/85/595281285.db2.gz SDHWBLVJPNWEPC-CJNGLKHVSA-N 2 0 328.403 1.825 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000844165364 595288305 /nfs/dbraw/zinc/28/83/05/595288305.db2.gz DFKPKSSNSBRPEC-ROUUACIJSA-N 2 0 331.460 1.708 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000844178446 595293408 /nfs/dbraw/zinc/29/34/08/595293408.db2.gz VJLJNPHKNRUKIE-RBUKOAKNSA-N 2 0 345.487 1.436 20 0 EDADRP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183197 595294795 /nfs/dbraw/zinc/29/47/95/595294795.db2.gz WEMDVLMSDLTQQQ-KRWDZBQOSA-N 2 0 331.460 1.980 20 0 EDADRP CC[NH2+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000844190366 595297832 /nfs/dbraw/zinc/29/78/32/595297832.db2.gz KWKBEFFUHZYAAS-KRWDZBQOSA-N 2 0 345.491 1.052 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901474 595410557 /nfs/dbraw/zinc/41/05/57/595410557.db2.gz FSGDSGRDHJAFEJ-KURKYZTESA-N 3 0 341.459 1.986 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(CC[NH2+]C4CC4)n3)c2)CC1 ZINC000848625047 595419006 /nfs/dbraw/zinc/41/90/06/595419006.db2.gz GTZBRYJNEACQBQ-UHFFFAOYSA-N 2 0 328.420 1.178 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nc(Cc2ccccc2)no1 ZINC000849065862 595477081 /nfs/dbraw/zinc/47/70/81/595477081.db2.gz DTYYLYXSMKGWMR-HNNXBMFYSA-N 2 0 342.447 1.759 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC2=[NH+]CCCN2C)c1 ZINC000849111943 595483876 /nfs/dbraw/zinc/48/38/76/595483876.db2.gz MYBGHDAWIRXALT-UHFFFAOYSA-N 2 0 334.464 1.425 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000849515948 595556459 /nfs/dbraw/zinc/55/64/59/595556459.db2.gz IAURYHYNERPOTL-FGTMMUONSA-N 2 0 345.491 1.152 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519161 595557046 /nfs/dbraw/zinc/55/70/46/595557046.db2.gz ILAHJZLHJAPZDR-ZWKOTPCHSA-N 2 0 347.507 1.398 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849531578 595559623 /nfs/dbraw/zinc/55/96/23/595559623.db2.gz DTOGBGZMMSWFPI-IRXDYDNUSA-N 2 0 335.496 1.304 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863981 595584706 /nfs/dbraw/zinc/58/47/06/595584706.db2.gz VJVSTNGYNQIJIQ-CQSZACIVSA-N 2 0 348.472 1.586 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849607030 595592761 /nfs/dbraw/zinc/59/27/61/595592761.db2.gz SRBWCPYPZMFMRY-ULQDDVLXSA-N 2 0 333.480 1.008 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608270 595594266 /nfs/dbraw/zinc/59/42/66/595594266.db2.gz NRPOWYPQNWQLKO-ZWKOTPCHSA-N 2 0 349.523 1.550 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000852887239 595599585 /nfs/dbraw/zinc/59/95/85/595599585.db2.gz JBTXODZMBCYRLE-MRXNPFEDSA-N 2 0 345.447 1.259 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CCO1 ZINC000853051185 595649966 /nfs/dbraw/zinc/64/99/66/595649966.db2.gz BELRNBGMNOSOBQ-HNNXBMFYSA-N 2 0 344.569 1.491 20 0 EDADRP Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c(C)c1 ZINC000853248327 595719061 /nfs/dbraw/zinc/71/90/61/595719061.db2.gz RXGMWAWZWKLFLA-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP CCOC(=O)NC1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000850460660 595838460 /nfs/dbraw/zinc/83/84/60/595838460.db2.gz ATKXXIVLQUANJO-KLAILNCOSA-N 2 0 340.512 1.659 20 0 EDADRP COc1ccc([C@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861548506 596025720 /nfs/dbraw/zinc/02/57/20/596025720.db2.gz QBZKBFLKTYFTTD-YOEHRIQHSA-N 2 0 334.464 1.821 20 0 EDADRP COC(C[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1)OC ZINC000856603915 596031422 /nfs/dbraw/zinc/03/14/22/596031422.db2.gz HDGNLNNDBZETIZ-QGZVFWFLSA-N 2 0 337.464 1.994 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000861570411 596032394 /nfs/dbraw/zinc/03/23/94/596032394.db2.gz PKUFSDCKTNPYBL-STQMWFEESA-N 2 0 338.418 1.885 20 0 EDADRP CCCCCC[C@](O)(C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078055 596036099 /nfs/dbraw/zinc/03/60/99/596036099.db2.gz JTAJWPCVDLSROZ-ROUUACIJSA-N 2 0 326.481 1.889 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000861604779 596045404 /nfs/dbraw/zinc/04/54/04/596045404.db2.gz QCTVWDIUFIHDDM-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000857115726 596161217 /nfs/dbraw/zinc/16/12/17/596161217.db2.gz QRPSZIGHSAGOHZ-LBPRGKRZSA-N 2 0 328.407 1.775 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857123180 596163529 /nfs/dbraw/zinc/16/35/29/596163529.db2.gz HYOKSDJBQGHTNA-RTBURBONSA-N 2 0 345.487 1.946 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CCN1C ZINC000866527208 596242454 /nfs/dbraw/zinc/24/24/54/596242454.db2.gz WIYVWFXFNJHCQY-ZBFHGGJFSA-N 2 0 325.497 1.865 20 0 EDADRP COC(=O)CCN1CCC[C@H]([N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)C1=O ZINC000866709557 596303116 /nfs/dbraw/zinc/30/31/16/596303116.db2.gz SAWNVXMQXLSGKW-KBXCAEBGSA-N 2 0 339.480 1.237 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870860960 596379689 /nfs/dbraw/zinc/37/96/89/596379689.db2.gz WCWAMYKRFBIWRV-ZDUSSCGKSA-N 2 0 328.254 1.907 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC[N@@H+]1C ZINC000864899576 596409416 /nfs/dbraw/zinc/40/94/16/596409416.db2.gz MGMMYSIKRWYFLT-JKSUJKDBSA-N 2 0 331.464 1.502 20 0 EDADRP [NH3+][C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000870935110 596411259 /nfs/dbraw/zinc/41/12/59/596411259.db2.gz JVXFAMPKHVFURY-GWCFXTLKSA-N 2 0 326.238 1.565 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000870983624 596429185 /nfs/dbraw/zinc/42/91/85/596429185.db2.gz YBGGZCPCVIOYFT-GOSISDBHSA-N 2 0 330.476 1.233 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000119411610 596559528 /nfs/dbraw/zinc/55/95/28/596559528.db2.gz RBJHSJMCCNWWGJ-UHFFFAOYSA-N 2 0 346.475 1.079 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000869778191 596630477 /nfs/dbraw/zinc/63/04/77/596630477.db2.gz AMLSBPHCOHRJEY-DLBZAZTESA-N 2 0 333.476 1.641 20 0 EDADRP c1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)nnn1[C@H]1CCC[NH2+]C1 ZINC000871800282 596702687 /nfs/dbraw/zinc/70/26/87/596702687.db2.gz CBXKJQOKTQLRRV-WVMKXHBISA-N 2 0 329.408 1.251 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2Cc3ccccc3O2)C[C@H]1C[NH+](C)C ZINC000870016292 596708865 /nfs/dbraw/zinc/70/88/65/596708865.db2.gz HPWHOYPUTFUBDQ-KZNAEPCWSA-N 2 0 345.487 1.578 20 0 EDADRP CO[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000870016931 596708881 /nfs/dbraw/zinc/70/88/81/596708881.db2.gz BIODURGWBCQLDW-KZNAEPCWSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cnccc2Cl)C[C@H]1C[NH+](C)C ZINC000870018103 596710343 /nfs/dbraw/zinc/71/03/43/596710343.db2.gz MKUBTGMXYYFKFY-HUUCEWRRSA-N 2 0 338.883 1.475 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3n[nH]cc3c2)C[C@H]1C[NH+](C)C ZINC000870019422 596710876 /nfs/dbraw/zinc/71/08/76/596710876.db2.gz YABKBAWVMFKMBD-IAGOWNOFSA-N 2 0 343.475 1.303 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3ccccn3c2)C[C@H]1C[NH+](C)C ZINC000870022325 596712488 /nfs/dbraw/zinc/71/24/88/596712488.db2.gz SIWBFLHYZHTOJH-IAGOWNOFSA-N 2 0 328.460 1.751 20 0 EDADRP C[C@@H](NC(=O)NC1CCC(C)([NH+](C)C)CC1)[C@H](C)N1CCOCC1 ZINC000868285943 596765900 /nfs/dbraw/zinc/76/59/00/596765900.db2.gz KTZGBMKUUAAZIE-MHAAMQRSSA-N 2 0 340.512 1.658 20 0 EDADRP Cc1cnc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000866041160 596770165 /nfs/dbraw/zinc/77/01/65/596770165.db2.gz PITQWBZXVJPINQ-CHWSQXEVSA-N 2 0 325.482 1.655 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000872156208 596815639 /nfs/dbraw/zinc/81/56/39/596815639.db2.gz GEEDSEULDUTTHV-RYQLBKOJSA-N 2 0 337.508 1.901 20 0 EDADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156472 596815816 /nfs/dbraw/zinc/81/58/16/596815816.db2.gz KBRJHJPVZTWPGN-NVXWUHKLSA-N 2 0 345.553 1.935 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)N(C)CCCCCC[NH3+] ZINC000872188650 596826580 /nfs/dbraw/zinc/82/65/80/596826580.db2.gz YHPCQADUWFFTQV-HNNXBMFYSA-N 2 0 340.512 1.153 20 0 EDADRP CC(C)(O)C[C@@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000872202107 596833998 /nfs/dbraw/zinc/83/39/98/596833998.db2.gz UUSBLBWXERQVKV-QGZVFWFLSA-N 2 0 336.476 1.773 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C ZINC000872256944 596857741 /nfs/dbraw/zinc/85/77/41/596857741.db2.gz GKIKICCYDCXNMX-INMHGKMJSA-N 2 0 331.416 1.371 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)Cc2cn3cc(F)ccc3n2)CCSC1 ZINC000866333185 596860180 /nfs/dbraw/zinc/86/01/80/596860180.db2.gz HJIPQTPJSGREOG-MRXNPFEDSA-N 2 0 336.436 1.569 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Cl)n1 ZINC000872266535 596861679 /nfs/dbraw/zinc/86/16/79/596861679.db2.gz XPMJOARONWNFFH-RRQGHBQHSA-N 2 0 336.867 1.891 20 0 EDADRP C[C@H]1CSC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875576523 596903310 /nfs/dbraw/zinc/90/33/10/596903310.db2.gz XAOUNYYXLIBIBM-YJNKXOJESA-N 2 0 328.526 1.119 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000875582347 596904904 /nfs/dbraw/zinc/90/49/04/596904904.db2.gz OMYQVBRWPVJUGD-WMZOPIPTSA-N 2 0 348.491 1.445 20 0 EDADRP C[C@H]1SCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875693784 596949058 /nfs/dbraw/zinc/94/90/58/596949058.db2.gz YEWKVJAAIBEYOA-TUVASFSCSA-N 2 0 328.526 1.261 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875693440 596949060 /nfs/dbraw/zinc/94/90/60/596949060.db2.gz ZPINYFMAJKKHAE-HNNXBMFYSA-N 2 0 328.501 1.109 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)[C@H]3CCCCC[C@@H]32)C[C@H]1C[NH+](C)C ZINC000872636869 597002870 /nfs/dbraw/zinc/00/28/70/597002870.db2.gz XONAMBPRYOFQPX-BDXSIMOUSA-N 2 0 336.524 1.406 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000875872987 597019652 /nfs/dbraw/zinc/01/96/52/597019652.db2.gz LGBXZMAWCPKNOT-GOEBONIOSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000874432100 597075781 /nfs/dbraw/zinc/07/57/81/597075781.db2.gz GOJGCDDAIPFEMW-JENIJYKNSA-N 2 0 328.460 1.512 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CCCC1 ZINC000874452375 597085752 /nfs/dbraw/zinc/08/57/52/597085752.db2.gz UIHAUFUOLDXVKT-GOSISDBHSA-N 2 0 330.476 1.990 20 0 EDADRP c1c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)sc2c1C[NH2+]CC2 ZINC000873211858 597229789 /nfs/dbraw/zinc/22/97/89/597229789.db2.gz FLGOVMDEMFLQNF-UHFFFAOYSA-N 3 0 334.533 1.700 20 0 EDADRP CC(C)n1nccc1C[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873219415 597231013 /nfs/dbraw/zinc/23/10/13/597231013.db2.gz ZYLPEDLEJFLZJS-UHFFFAOYSA-N 2 0 325.420 1.793 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@H](C(F)(F)F)O1 ZINC000873228487 597234109 /nfs/dbraw/zinc/23/41/09/597234109.db2.gz FHASRNCRVGBSCS-FRRDWIJNSA-N 2 0 337.386 1.225 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232156 597234884 /nfs/dbraw/zinc/23/48/84/597234884.db2.gz LVSRXMLRDBPUCK-YOEHRIQHSA-N 2 0 348.491 1.204 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873248300 597239529 /nfs/dbraw/zinc/23/95/29/597239529.db2.gz CTMJOKOIUYYQLC-XPYWIHLFSA-N 2 0 338.473 1.333 20 0 EDADRP CCn1cc([C@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cn1 ZINC000873247931 597239730 /nfs/dbraw/zinc/23/97/30/597239730.db2.gz WGYHONUHPJXCOD-ZDUSSCGKSA-N 2 0 325.420 1.793 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250141 597240336 /nfs/dbraw/zinc/24/03/36/597240336.db2.gz PHWFZVSUCMGJQY-CZUORRHYSA-N 2 0 330.432 1.216 20 0 EDADRP FC(F)(F)CN1CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873288729 597248943 /nfs/dbraw/zinc/24/89/43/597248943.db2.gz BBHYOODGIHVPAP-AWEZNQCLSA-N 2 0 335.414 1.761 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000875072830 597270632 /nfs/dbraw/zinc/27/06/32/597270632.db2.gz CGHXJFNOKPOQAZ-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccsc2)C[C@H]1C[NH+](C)C ZINC000875080822 597273914 /nfs/dbraw/zinc/27/39/14/597273914.db2.gz XMPWPGSUCSQXKT-HZPDHXFCSA-N 2 0 338.521 1.671 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCCCCn1ccnc1 ZINC000875133358 597295486 /nfs/dbraw/zinc/29/54/86/597295486.db2.gz MEFYSOUVTIAQHT-UHFFFAOYSA-N 2 0 349.479 1.417 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876719703 597304157 /nfs/dbraw/zinc/30/41/57/597304157.db2.gz SNPMXPWMKNQSJQ-OJXHRBAXSA-N 2 0 331.460 1.799 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000876741974 597316735 /nfs/dbraw/zinc/31/67/35/597316735.db2.gz XRZVSWNESMFXCJ-DDJWGXKRSA-N 2 0 327.472 1.961 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876742286 597317569 /nfs/dbraw/zinc/31/75/69/597317569.db2.gz XARRDXQPSCGFSG-HUUCEWRRSA-N 2 0 333.480 1.605 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000876756059 597324178 /nfs/dbraw/zinc/32/41/78/597324178.db2.gz YRZWFVGCVPXXRS-UHFFFAOYSA-N 2 0 345.447 1.139 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000876773077 597333995 /nfs/dbraw/zinc/33/39/95/597333995.db2.gz VWKBRVNXNRDQBQ-HRCADAONSA-N 2 0 333.480 1.671 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000876779458 597338102 /nfs/dbraw/zinc/33/81/02/597338102.db2.gz FUVGJZUTAAHSQF-PKOBYXMFSA-N 2 0 346.475 1.534 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876845837 597356855 /nfs/dbraw/zinc/35/68/55/597356855.db2.gz IEHRHINFVWZTQR-FQEVSTJZSA-N 2 0 335.451 1.878 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000876878061 597366041 /nfs/dbraw/zinc/36/60/41/597366041.db2.gz OZKJZGSAFFPHNK-OFLPRAFFSA-N 2 0 347.507 1.966 20 0 EDADRP CC[N@H+](CCCNC(=O)[C@]1(COC)C[NH2+]CCO1)C1CCCCC1 ZINC000876946043 597392510 /nfs/dbraw/zinc/39/25/10/597392510.db2.gz FNMBYCRVHGNBGW-GOSISDBHSA-N 2 0 341.496 1.152 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000876960973 597397104 /nfs/dbraw/zinc/39/71/04/597397104.db2.gz BRFHUKURIHCFKB-IAGOWNOFSA-N 2 0 330.476 1.783 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000876961704 597398082 /nfs/dbraw/zinc/39/80/82/597398082.db2.gz VYSFUKDHWAWMGQ-IXDOHACOSA-N 2 0 331.460 1.243 20 0 EDADRP CCc1cnccc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875467469 597441323 /nfs/dbraw/zinc/44/13/23/597441323.db2.gz AJQZMHPPJFQNFU-QZTJIDSGSA-N 2 0 347.507 1.525 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000877189274 597456403 /nfs/dbraw/zinc/45/64/03/597456403.db2.gz ONDSLHVCINRNCU-LRYGQEGESA-N 2 0 328.460 1.776 20 0 EDADRP C[NH+]1CCC(CNC(=O)C[C@H]2CSCC[NH2+]2)(c2ccccc2)CC1 ZINC000877223808 597466377 /nfs/dbraw/zinc/46/63/77/597466377.db2.gz AZBQMJWJCBGMRV-KRWDZBQOSA-N 2 0 347.528 1.861 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)CC[NH2+]C(C)C)C1 ZINC000877231656 597470488 /nfs/dbraw/zinc/47/04/88/597470488.db2.gz QCIXNMMEVNUFLF-SFHVURJKSA-N 2 0 333.476 1.700 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000877231504 597470782 /nfs/dbraw/zinc/47/07/82/597470782.db2.gz MRQRNSNILVWHKX-GOSISDBHSA-N 2 0 345.487 1.831 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C[C@H]2[NH3+])cc1 ZINC000877235195 597473045 /nfs/dbraw/zinc/47/30/45/597473045.db2.gz AGTMGMFNMLNLKI-NLNMYJFZSA-N 2 0 343.471 1.869 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000877248987 597478836 /nfs/dbraw/zinc/47/88/36/597478836.db2.gz SJGHOJPOVOKHHT-QWFCFKBJSA-N 2 0 345.487 1.924 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@@H]([NH3+])c1ccccc1 ZINC000877371439 597503889 /nfs/dbraw/zinc/50/38/89/597503889.db2.gz QNMDFXUCZSDGIG-SCUASFONSA-N 2 0 329.366 1.918 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000877438179 597515577 /nfs/dbraw/zinc/51/55/77/597515577.db2.gz JRADVEGJSYILRO-IBGZPJMESA-N 2 0 346.519 1.953 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877445024 597516471 /nfs/dbraw/zinc/51/64/71/597516471.db2.gz OCNRDINFHLMEDG-XIRDDKMYSA-N 2 0 325.497 1.885 20 0 EDADRP O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NCC[NH+]1CCCCCC1 ZINC000877548207 597533654 /nfs/dbraw/zinc/53/36/54/597533654.db2.gz HEKWWVLBUWKDTA-JQHSSLGASA-N 2 0 335.492 1.526 20 0 EDADRP CC1(C)C[C@@H](C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)C(C)(C)O1 ZINC000878049664 597572093 /nfs/dbraw/zinc/57/20/93/597572093.db2.gz LPASBZDDDKPGBI-INIZCTEOSA-N 2 0 337.508 1.820 20 0 EDADRP Cn1nnnc1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000878159959 597583009 /nfs/dbraw/zinc/58/30/09/597583009.db2.gz BKJVHSWRFSBZHH-LJQANCHMSA-N 2 0 340.475 1.741 20 0 EDADRP CCOC(=O)CC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878293467 597593289 /nfs/dbraw/zinc/59/32/89/597593289.db2.gz KBRAFOBAPLMVJI-HNNXBMFYSA-N 2 0 339.480 1.252 20 0 EDADRP CN(CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000878314023 597594770 /nfs/dbraw/zinc/59/47/70/597594770.db2.gz JHWVNVXAMQAGJT-UHFFFAOYSA-N 2 0 332.492 1.390 20 0 EDADRP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578499 597640698 /nfs/dbraw/zinc/64/06/98/597640698.db2.gz TXGKMNBOGZNOIJ-OUUBHVDSSA-N 2 0 334.552 1.817 20 0 EDADRP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@H]2[C@@H](CC[NH+]2C)C1 ZINC000879578498 597640781 /nfs/dbraw/zinc/64/07/81/597640781.db2.gz TXGKMNBOGZNOIJ-OBKDMQGPSA-N 2 0 334.552 1.817 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@@H]1OCCc2sccc21 ZINC000878647762 597667253 /nfs/dbraw/zinc/66/72/53/597667253.db2.gz PLGSYLJIGKWLJL-PXAZEXFGSA-N 2 0 337.489 1.550 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000883240145 597691874 /nfs/dbraw/zinc/69/18/74/597691874.db2.gz IWCYRKFXGAENQF-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP CCOC(=O)CN(C)C(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702076 597694401 /nfs/dbraw/zinc/69/44/01/597694401.db2.gz DVQHWAQRGLZZLZ-UHFFFAOYSA-N 2 0 341.496 1.308 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC[N@H+](C)CCOCCO)CC2)C1 ZINC000883349428 597721904 /nfs/dbraw/zinc/72/19/04/597721904.db2.gz BBXXXCMLKHBLOD-PKOBYXMFSA-N 2 0 341.540 1.560 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)C1 ZINC000883434372 597744764 /nfs/dbraw/zinc/74/47/64/597744764.db2.gz PBSKZMMLJRHJOY-BDXSIMOUSA-N 2 0 338.492 1.933 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@@H]1CCC[NH2+]C1 ZINC000131803565 597745196 /nfs/dbraw/zinc/74/51/96/597745196.db2.gz JIIBWOLRLFDGDU-ZIAGYGMSSA-N 2 0 331.416 1.534 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N1CCC[NH2+]CC1 ZINC000883586764 597815356 /nfs/dbraw/zinc/81/53/56/597815356.db2.gz RWOMGCYCSQDPCD-SFHVURJKSA-N 2 0 343.475 1.798 20 0 EDADRP COCC[N@@H+](CC(=O)N[C@@H]1CCCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879122343 597825624 /nfs/dbraw/zinc/82/56/24/597825624.db2.gz LURVUFROOHWKQS-SJLPKXTDSA-N 2 0 339.524 1.972 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879239843 597862017 /nfs/dbraw/zinc/86/20/17/597862017.db2.gz HTMYBGKFSXPXOO-ICSRJNTNSA-N 2 0 345.487 1.785 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3N3CCC[C@@H]3C2)CC1 ZINC000880552747 597961857 /nfs/dbraw/zinc/96/18/57/597961857.db2.gz BWXUXKMDEWICEH-GOSISDBHSA-N 2 0 342.487 1.681 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884026207 597971384 /nfs/dbraw/zinc/97/13/84/597971384.db2.gz WOQSOMDVIRDGDZ-ZDUSSCGKSA-N 2 0 328.254 1.953 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC(OCCC[NH3+])CC1 ZINC000884042256 597975875 /nfs/dbraw/zinc/97/58/75/597975875.db2.gz UVAATHSSLVVAFL-UHFFFAOYSA-N 2 0 335.448 1.255 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884188238 598019208 /nfs/dbraw/zinc/01/92/08/598019208.db2.gz CCWXIMBPYLUONP-HNNXBMFYSA-N 2 0 331.464 1.095 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884202357 598027159 /nfs/dbraw/zinc/02/71/59/598027159.db2.gz XBHNZDKYKVMIKI-GXFFZTMASA-N 2 0 328.254 1.905 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)cn1 ZINC000884206585 598028440 /nfs/dbraw/zinc/02/84/40/598028440.db2.gz YRPLHIWNGDJVSU-INIZCTEOSA-N 2 0 341.415 1.699 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C(C)(C)C ZINC000884221877 598033874 /nfs/dbraw/zinc/03/38/74/598033874.db2.gz CFMIJRJAFSWANG-MRXNPFEDSA-N 2 0 347.507 1.587 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000884330179 598069999 /nfs/dbraw/zinc/06/99/99/598069999.db2.gz GWTUSTBCCFABLQ-DLBZAZTESA-N 2 0 335.448 1.312 20 0 EDADRP CC1(C)[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@@H]1[NH3+] ZINC000884348046 598077092 /nfs/dbraw/zinc/07/70/92/598077092.db2.gz MMJSHGITIKBQQD-YESZJQIVSA-N 2 0 341.459 1.043 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000884386458 598088421 /nfs/dbraw/zinc/08/84/21/598088421.db2.gz PBSRLKYVTJZVCQ-UKPHBRMFSA-N 2 0 331.416 1.125 20 0 EDADRP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884385196 598088441 /nfs/dbraw/zinc/08/84/41/598088441.db2.gz GZVVWKNFGZUNFJ-GFCCVEGCSA-N 2 0 326.238 1.694 20 0 EDADRP CN(C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C1(C[NH3+])CCCCC1 ZINC000884490680 598119546 /nfs/dbraw/zinc/11/95/46/598119546.db2.gz CUBPMPAQURRARK-CABCVRRESA-N 2 0 338.496 1.095 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000925406402 695330728 /nfs/dbraw/zinc/33/07/28/695330728.db2.gz SINYLVPXWNNPTK-QGZVFWFLSA-N 2 0 332.448 1.387 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccn3)[C@@H]2C1 ZINC000992902985 695439678 /nfs/dbraw/zinc/43/96/78/695439678.db2.gz BKWIULBLVBACIC-QXAKKESOSA-N 2 0 342.487 1.894 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCC[N@@H+]1CCCO ZINC000993319115 695966831 /nfs/dbraw/zinc/96/68/31/695966831.db2.gz WEYWDVMTSQHVNA-JKSUJKDBSA-N 2 0 325.497 1.602 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000940008603 700110445 /nfs/dbraw/zinc/11/04/45/700110445.db2.gz VJHXKTVCSNWWHE-AWEZNQCLSA-N 2 0 346.479 1.247 20 0 EDADRP C[C@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000916851605 696793212 /nfs/dbraw/zinc/79/32/12/696793212.db2.gz RBXGYZYUTCCVNI-RHSMWYFYSA-N 2 0 333.480 1.856 20 0 EDADRP CCc1nocc1CN1CCC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H]1C ZINC000994406817 696830101 /nfs/dbraw/zinc/83/01/01/696830101.db2.gz KVRYWBOFNNWSEN-WMLDXEAASA-N 2 0 334.464 1.802 20 0 EDADRP COc1ccc(CN2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)cn1 ZINC000994410117 696836164 /nfs/dbraw/zinc/83/61/64/696836164.db2.gz RKQZKLXFBWKHRC-WBVHZDCISA-N 2 0 346.475 1.655 20 0 EDADRP C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512411 696957123 /nfs/dbraw/zinc/95/71/23/696957123.db2.gz YVFWVEPPCDDETH-GXTWGEPZSA-N 2 0 326.391 1.898 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000919127184 697246796 /nfs/dbraw/zinc/24/67/96/697246796.db2.gz OOIFHVPYMDAFAV-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031578439 697273296 /nfs/dbraw/zinc/27/32/96/697273296.db2.gz YDEVALVWFLMPGI-QGZVFWFLSA-N 2 0 335.423 1.347 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000919634501 697307835 /nfs/dbraw/zinc/30/78/35/697307835.db2.gz JNHWEQKTMUAPTE-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP C[NH+]1CCC(NC(=S)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000920307757 697419224 /nfs/dbraw/zinc/41/92/24/697419224.db2.gz NGCSFYXUIDXSJL-HNNXBMFYSA-N 2 0 336.505 1.975 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920311098 697419426 /nfs/dbraw/zinc/41/94/26/697419426.db2.gz LRMZLMSYRYLRSU-KRWDZBQOSA-N 2 0 334.533 1.718 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001031681492 697505138 /nfs/dbraw/zinc/50/51/38/697505138.db2.gz VENPIDJWZVNWDC-DNVCBOLYSA-N 2 0 345.487 1.721 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H](OC)C3CCC3)C2)CC[N@@H+]1C ZINC001031685591 697519282 /nfs/dbraw/zinc/51/92/82/697519282.db2.gz CXPOGLPQZSTDSX-KSZLIROESA-N 2 0 337.508 1.580 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426734 697603235 /nfs/dbraw/zinc/60/32/35/697603235.db2.gz JSFJOTCLSCHAPJ-CVEARBPZSA-N 2 0 328.501 1.230 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000940109196 700222091 /nfs/dbraw/zinc/22/20/91/700222091.db2.gz OFUONRFZHMUJEH-MRXNPFEDSA-N 2 0 349.479 1.722 20 0 EDADRP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000940124440 700257907 /nfs/dbraw/zinc/25/79/07/700257907.db2.gz DHRAFRYPTSSUDW-JKSUJKDBSA-N 2 0 348.447 1.009 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC2)C1 ZINC000941465394 701552670 /nfs/dbraw/zinc/55/26/70/701552670.db2.gz PGVQVAWYTBVPCB-UHFFFAOYSA-N 2 0 327.432 1.105 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118736 698987426 /nfs/dbraw/zinc/98/74/26/698987426.db2.gz QZTWIPOLVFGGBC-MRXNPFEDSA-N 2 0 335.492 1.193 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCCO)C[C@@H]2C)CC1 ZINC000943877077 699000288 /nfs/dbraw/zinc/00/02/88/699000288.db2.gz LZLMGPGCRWGFJB-DOTOQJQBSA-N 2 0 325.497 1.316 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031765136 699050496 /nfs/dbraw/zinc/05/04/96/699050496.db2.gz BMNDBPPTUPKWSQ-MSOLQXFVSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764573 699053226 /nfs/dbraw/zinc/05/32/26/699053226.db2.gz JBEDYBBUNYFJJZ-MRXNPFEDSA-N 2 0 335.492 1.337 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054185 699114594 /nfs/dbraw/zinc/11/45/94/699114594.db2.gz GCMKMSBUSQITGP-ZBFHGGJFSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939063547 699130348 /nfs/dbraw/zinc/13/03/48/699130348.db2.gz IGFIAVQCXQXRMK-GUYCJALGSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137837 699225424 /nfs/dbraw/zinc/22/54/24/699225424.db2.gz OCLXLMIHICCHJA-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596005 701587518 /nfs/dbraw/zinc/58/75/18/701587518.db2.gz SAYPCHZQHJQCNS-KRWDZBQOSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939246839 699416374 /nfs/dbraw/zinc/41/63/74/699416374.db2.gz KOXFJKCZJHNRTF-DOTOQJQBSA-N 2 0 333.480 1.052 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939259792 699437876 /nfs/dbraw/zinc/43/78/76/699437876.db2.gz XBAAPCXERXVAKL-RDTXWAMCSA-N 2 0 345.491 1.453 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1)C1CCCC1 ZINC001031813227 699490244 /nfs/dbraw/zinc/49/02/44/699490244.db2.gz QPIUYFLSDFGHSI-SFHVURJKSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)C2)n1 ZINC000994937607 699521691 /nfs/dbraw/zinc/52/16/91/699521691.db2.gz FJMPNEJLNNFFRC-IRXDYDNUSA-N 2 0 347.507 1.733 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1)c1ccn2c[nH+]cc2c1 ZINC001031817494 699532264 /nfs/dbraw/zinc/53/22/64/699532264.db2.gz IVJBPDMHMHTJNR-APWZRJJASA-N 2 0 340.427 1.423 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939399100 699548334 /nfs/dbraw/zinc/54/83/34/699548334.db2.gz VUYKKIDUGIJILI-HOCLYGCPSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(C)n1 ZINC000939753512 699903163 /nfs/dbraw/zinc/90/31/63/699903163.db2.gz GENLVIVNHKDLNN-KSSFIOAISA-N 2 0 330.476 1.731 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939756691 699923217 /nfs/dbraw/zinc/92/32/17/699923217.db2.gz VRTYOJPTKQQXOA-SUMWQHHRSA-N 2 0 337.414 1.997 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939757006 699923749 /nfs/dbraw/zinc/92/37/49/699923749.db2.gz WKUZWFSBHMQROO-ZFWWWQNUSA-N 2 0 336.867 1.767 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850744 699946177 /nfs/dbraw/zinc/94/61/77/699946177.db2.gz NMNDZEMFGZSQGC-KRWDZBQOSA-N 2 0 328.416 1.565 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)on1 ZINC000940149639 700282768 /nfs/dbraw/zinc/28/27/68/700282768.db2.gz NBBYXGFTGQCLCA-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000940149649 700282867 /nfs/dbraw/zinc/28/28/67/700282867.db2.gz NFXHVGNZZKGALR-QGZVFWFLSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940179514 700313467 /nfs/dbraw/zinc/31/34/67/700313467.db2.gz WMJKLLBQQNRTDA-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001031876335 700406516 /nfs/dbraw/zinc/40/65/16/700406516.db2.gz SOTLYHZUGAEFTK-PBHICJAKSA-N 2 0 341.471 1.283 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)co1 ZINC000940296662 700468836 /nfs/dbraw/zinc/46/88/36/700468836.db2.gz RVYRQJUNXGDKCC-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000940306914 700489220 /nfs/dbraw/zinc/48/92/20/700489220.db2.gz QAPAIIZVEBBZNA-QGZVFWFLSA-N 2 0 349.523 1.785 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940308000 700489841 /nfs/dbraw/zinc/48/98/41/700489841.db2.gz ZOXCHTUNZBTJJK-QGZVFWFLSA-N 2 0 349.523 1.960 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000940327947 700505198 /nfs/dbraw/zinc/50/51/98/700505198.db2.gz ANHVCAGKRBOSIS-CYBMUJFWSA-N 2 0 334.468 1.068 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000940373133 700555895 /nfs/dbraw/zinc/55/58/95/700555895.db2.gz FDALFWUXHPRWTC-JKSUJKDBSA-N 2 0 347.463 1.557 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)no1 ZINC000995167737 701652126 /nfs/dbraw/zinc/65/21/26/701652126.db2.gz LECGSYWWUJNFGT-LSDHHAIUSA-N 2 0 332.448 1.453 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000940461720 700664762 /nfs/dbraw/zinc/66/47/62/700664762.db2.gz JMUSFGDMFDZHQU-UHFFFAOYSA-N 2 0 335.452 1.199 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC000995078230 700667170 /nfs/dbraw/zinc/66/71/70/700667170.db2.gz JMIIMWVQQJUMGV-NVXWUHKLSA-N 2 0 345.491 1.501 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078642 700671809 /nfs/dbraw/zinc/67/18/09/700671809.db2.gz KLXLTKVLCWZDMC-WBVHZDCISA-N 2 0 347.507 1.619 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995079214 700684112 /nfs/dbraw/zinc/68/41/12/700684112.db2.gz NLGMOJJFQYOYRC-YJBOKZPZSA-N 2 0 347.507 1.445 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995099932 700886766 /nfs/dbraw/zinc/88/67/66/700886766.db2.gz BGGISJBSYGWKEI-HUUCEWRRSA-N 2 0 349.479 1.484 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865432 700947405 /nfs/dbraw/zinc/94/74/05/700947405.db2.gz YQLHYGDDOXVGQG-CVEARBPZSA-N 2 0 337.508 1.866 20 0 EDADRP CC1(C)C[N@H+](CC2CC2)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901063 700975981 /nfs/dbraw/zinc/97/59/81/700975981.db2.gz JYIBAYJJYDCNTP-ASPXRTSYSA-N 2 0 347.503 1.476 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000940917970 700995349 /nfs/dbraw/zinc/99/53/49/700995349.db2.gz HDTHJMTZJVBSPF-DLBZAZTESA-N 2 0 337.508 1.460 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000995113019 701023778 /nfs/dbraw/zinc/02/37/78/701023778.db2.gz MWYWRWJSJPSMIC-SJORKVTESA-N 2 0 347.507 1.527 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C(C)(C)C1 ZINC000941093280 701137191 /nfs/dbraw/zinc/13/71/91/701137191.db2.gz MEWRAKMIYWBUOH-CRAIPNDOSA-N 2 0 347.503 1.959 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000941138021 701197472 /nfs/dbraw/zinc/19/74/72/701197472.db2.gz GORYFIJBDRVYAF-QGZVFWFLSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3cnon3)CC2(C)C)C1 ZINC000941163326 701228138 /nfs/dbraw/zinc/22/81/38/701228138.db2.gz JNIMNRXBHCHUGZ-ZFWWWQNUSA-N 2 0 335.452 1.128 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)on1 ZINC000941167305 701378430 /nfs/dbraw/zinc/37/84/30/701378430.db2.gz SQDGYCSIAZMHFY-MRXNPFEDSA-N 2 0 346.475 1.796 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001031932265 701384692 /nfs/dbraw/zinc/38/46/92/701384692.db2.gz ZXAUXNDZTRJVSU-QFBILLFUSA-N 2 0 347.459 1.429 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941215317 701401645 /nfs/dbraw/zinc/40/16/45/701401645.db2.gz PYSRKMNQFHTGKB-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217140 701403299 /nfs/dbraw/zinc/40/32/99/701403299.db2.gz KCNLXJQDZMXAPE-DOTOQJQBSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)ncn1 ZINC000941217785 701403939 /nfs/dbraw/zinc/40/39/39/701403939.db2.gz SDBYQPFHXFNBQS-WBVHZDCISA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)on1 ZINC000941218185 701408935 /nfs/dbraw/zinc/40/89/35/701408935.db2.gz WWTJAMBUXVUXKU-GOEBONIOSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)C[C@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436933 701540122 /nfs/dbraw/zinc/54/01/22/701540122.db2.gz LPVUIGJYCPLXDV-QGZVFWFLSA-N 2 0 336.524 1.486 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031977131 702011458 /nfs/dbraw/zinc/01/14/58/702011458.db2.gz XBYMIGPARWLAFC-KDOFPFPSSA-N 2 0 349.450 1.450 20 0 EDADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995857642 702167602 /nfs/dbraw/zinc/16/76/02/702167602.db2.gz ZRIFXQUKSCXARE-GXTWGEPZSA-N 2 0 339.505 1.631 20 0 EDADRP CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879074 702185967 /nfs/dbraw/zinc/18/59/67/702185967.db2.gz BJTRBYBJBKUKPX-GOEBONIOSA-N 2 0 334.464 1.596 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995888875 702228498 /nfs/dbraw/zinc/22/84/98/702228498.db2.gz SKSJDESIZYIQPU-MRXNPFEDSA-N 2 0 347.507 1.274 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001032185788 702308821 /nfs/dbraw/zinc/30/88/21/702308821.db2.gz CBYHOIPNZXZGRP-HIFRSBDPSA-N 2 0 329.435 1.812 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999224706 706658258 /nfs/dbraw/zinc/65/82/58/706658258.db2.gz SFUQRPPWSBEKEF-UHFFFAOYSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001015929923 702319904 /nfs/dbraw/zinc/31/99/04/702319904.db2.gz FMXWCJUVWCZDNP-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cncs3)C2)CC[N@@H+]1C ZINC000999208492 706661755 /nfs/dbraw/zinc/66/17/55/706661755.db2.gz NOSVEJSPRANBSA-VNQPRFMTSA-N 2 0 336.505 1.954 20 0 EDADRP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153625 702441815 /nfs/dbraw/zinc/44/18/15/702441815.db2.gz IKBIMOPDWLFMKB-DOTOQJQBSA-N 2 0 328.460 1.504 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC1CC[NH+](C)CC1)C1CCC1 ZINC001032665983 706679700 /nfs/dbraw/zinc/67/97/00/706679700.db2.gz PPLFYKJAGKTHGF-GBESFXJTSA-N 2 0 349.519 1.819 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995211119 702683011 /nfs/dbraw/zinc/68/30/11/702683011.db2.gz NHOSQTUTKABNQY-CABCVRRESA-N 2 0 336.505 1.922 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996299826 702690600 /nfs/dbraw/zinc/69/06/00/702690600.db2.gz DWSHGEIQNRWLAH-JSGCOSHPSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996299874 702691231 /nfs/dbraw/zinc/69/12/31/702691231.db2.gz FZSLOHOFGNRJOT-WBVHZDCISA-N 2 0 330.476 1.750 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC1 ZINC000996385648 702749603 /nfs/dbraw/zinc/74/96/03/702749603.db2.gz JEUMVKYBDCTBOZ-KRWDZBQOSA-N 2 0 347.507 1.442 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC1 ZINC000996447764 702775506 /nfs/dbraw/zinc/77/55/06/702775506.db2.gz CXAUYQPJVOBHJF-QGZVFWFLSA-N 2 0 347.507 1.442 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996463907 702791583 /nfs/dbraw/zinc/79/15/83/702791583.db2.gz JPHALJFACUHAMB-QGZVFWFLSA-N 2 0 333.480 1.374 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCc1ccns1 ZINC000996524337 702840767 /nfs/dbraw/zinc/84/07/67/702840767.db2.gz GYXBBAGMPMODES-HNNXBMFYSA-N 2 0 348.516 1.608 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)on1 ZINC000996518159 702853411 /nfs/dbraw/zinc/85/34/11/702853411.db2.gz COVHSAQOKMKBLL-CQSZACIVSA-N 2 0 348.447 1.106 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)c1 ZINC000996520208 702856064 /nfs/dbraw/zinc/85/60/64/702856064.db2.gz OFHJCPHADDSDHL-KRWDZBQOSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607744 702911027 /nfs/dbraw/zinc/91/10/27/702911027.db2.gz DVWDSJFGBDGRMD-ZIAGYGMSSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)n1 ZINC000996608075 702911518 /nfs/dbraw/zinc/91/15/18/702911518.db2.gz FQIMDWRFZJRZES-ZWKOTPCHSA-N 2 0 344.503 1.977 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)ccn1 ZINC000996610475 702915428 /nfs/dbraw/zinc/91/54/28/702915428.db2.gz JFADMNFTGASNLP-INIZCTEOSA-N 2 0 346.475 1.513 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996612819 702917642 /nfs/dbraw/zinc/91/76/42/702917642.db2.gz RRAVFBAMSMPOEJ-INIZCTEOSA-N 2 0 348.491 1.968 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615632 702922969 /nfs/dbraw/zinc/92/29/69/702922969.db2.gz QDNUUEYDMLIQMR-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617451 702924374 /nfs/dbraw/zinc/92/43/74/702924374.db2.gz AWFCSCQLYMXXGB-SJORKVTESA-N 2 0 349.500 1.692 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)CCC1 ZINC000996663654 702961726 /nfs/dbraw/zinc/96/17/26/702961726.db2.gz IHTUFPXOOWKSTF-UHFFFAOYSA-N 2 0 345.487 1.744 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996672263 702973466 /nfs/dbraw/zinc/97/34/66/702973466.db2.gz CIJSSYKDMRGVEX-IAGOWNOFSA-N 2 0 347.507 1.584 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996676713 702975462 /nfs/dbraw/zinc/97/54/62/702975462.db2.gz HSJXFYXUKNHWOK-QGZVFWFLSA-N 2 0 333.480 1.324 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996680931 702979325 /nfs/dbraw/zinc/97/93/25/702979325.db2.gz WUCFELUKCJPMEU-QGZVFWFLSA-N 2 0 348.495 1.027 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996688278 702985613 /nfs/dbraw/zinc/98/56/13/702985613.db2.gz MEPOIMTUZGCJJC-KRWDZBQOSA-N 2 0 336.480 1.958 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996690190 702987453 /nfs/dbraw/zinc/98/74/53/702987453.db2.gz PYKZVZKAJQVULO-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)c1nncn1C ZINC000996691027 702988487 /nfs/dbraw/zinc/98/84/87/702988487.db2.gz RMWROYTYZUVFBQ-ZBFHGGJFSA-N 2 0 348.495 1.331 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996765184 703053792 /nfs/dbraw/zinc/05/37/92/703053792.db2.gz UIKCBAKCOYOIFH-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP CC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C(F)(F)F ZINC000996821850 703109496 /nfs/dbraw/zinc/10/94/96/703109496.db2.gz ASBONELUJPDLCQ-STQMWFEESA-N 2 0 333.398 1.861 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996857237 703133083 /nfs/dbraw/zinc/13/30/83/703133083.db2.gz MFMHLXHDMLKRHT-QGZVFWFLSA-N 2 0 347.463 1.333 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CC2CCOCC2)CC1)[NH+](C)C ZINC000996959549 703229876 /nfs/dbraw/zinc/22/98/76/703229876.db2.gz BMDLPFSKYLNCKR-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996995348 703252143 /nfs/dbraw/zinc/25/21/43/703252143.db2.gz OATIYPHXAOCBMQ-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)[nH]1 ZINC000997015374 703274186 /nfs/dbraw/zinc/27/41/86/703274186.db2.gz PHNXARQFQSPAHX-OCCSQVGLSA-N 2 0 336.484 1.349 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1ncccn1 ZINC000997056479 703302288 /nfs/dbraw/zinc/30/22/88/703302288.db2.gz FLJVLRXWTYSJHJ-OAHLLOKOSA-N 2 0 345.491 1.850 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997073580 703313669 /nfs/dbraw/zinc/31/36/69/703313669.db2.gz XZSUGRGIZSKVNM-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC000997090961 703328577 /nfs/dbraw/zinc/32/85/77/703328577.db2.gz CBAGZOMMSUTRNR-ROUUACIJSA-N 2 0 345.491 1.518 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCOCC2)CC1 ZINC001032700390 706738360 /nfs/dbraw/zinc/73/83/60/706738360.db2.gz MRJDLDRTHPTDSZ-ROUUACIJSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181980 703466814 /nfs/dbraw/zinc/46/68/14/703466814.db2.gz FJNQQZIEUTZNGF-GXTWGEPZSA-N 2 0 334.468 1.097 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997190037 703472256 /nfs/dbraw/zinc/47/22/56/703472256.db2.gz KNAIOZCTNGJTKJ-SJLPKXTDSA-N 2 0 339.524 1.970 20 0 EDADRP CCc1noc([C@H](C)NC2CCN(C(=O)Cc3[nH]cnc3C)CC2)n1 ZINC000997210059 703509522 /nfs/dbraw/zinc/50/95/22/703509522.db2.gz GPRIUCVVJPBMJT-LBPRGKRZSA-N 2 0 346.435 1.548 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000997300432 703543957 /nfs/dbraw/zinc/54/39/57/703543957.db2.gz VATYKMMQJZREMM-INIZCTEOSA-N 2 0 347.507 1.670 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997289016 703550511 /nfs/dbraw/zinc/55/05/11/703550511.db2.gz GSJWXTMGAORERX-MRXNPFEDSA-N 2 0 347.507 1.442 20 0 EDADRP CN(C)c1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC000997297220 703555667 /nfs/dbraw/zinc/55/56/67/703555667.db2.gz DFVRZWUWRJTMDP-INIZCTEOSA-N 2 0 345.491 1.180 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nccn3C(F)F)CC2)C1 ZINC000997297375 703555941 /nfs/dbraw/zinc/55/59/41/703555941.db2.gz FPWCOFDIIWFYJD-LBPRGKRZSA-N 2 0 341.406 1.311 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361492 703595421 /nfs/dbraw/zinc/59/54/21/703595421.db2.gz VPDNGVXALQIRAL-BETUJISGSA-N 2 0 335.452 1.331 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)cn1 ZINC000997368166 703604920 /nfs/dbraw/zinc/60/49/20/703604920.db2.gz QZOFTTPNNARKDL-UHFFFAOYSA-N 2 0 345.491 1.742 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000997369115 703609401 /nfs/dbraw/zinc/60/94/01/703609401.db2.gz YPQWGEXYAKEFKW-CQSZACIVSA-N 2 0 348.495 1.631 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997422232 703670950 /nfs/dbraw/zinc/67/09/50/703670950.db2.gz TYQVVZQDSPJCIN-RDTXWAMCSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000997517202 703766906 /nfs/dbraw/zinc/76/69/06/703766906.db2.gz VZVSFWGYPDVSES-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1)C12CCC[NH+]1CCC2 ZINC001032498503 703797599 /nfs/dbraw/zinc/79/75/99/703797599.db2.gz XPTRHXAFCVXFEK-OKZBNKHCSA-N 2 0 347.503 1.859 20 0 EDADRP CC(C)n1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000997604609 703898690 /nfs/dbraw/zinc/89/86/90/703898690.db2.gz BNWCDMTVSBHHAS-KRWDZBQOSA-N 2 0 348.495 1.281 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997611945 703909108 /nfs/dbraw/zinc/90/91/08/703909108.db2.gz IJUNATYNDFEMEW-DOMZBBRYSA-N 2 0 335.452 1.361 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cs1 ZINC000997612870 703910706 /nfs/dbraw/zinc/91/07/06/703910706.db2.gz LAWSRIKOIFUJPE-INIZCTEOSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995552883 703961896 /nfs/dbraw/zinc/96/18/96/703961896.db2.gz RXLUJUMRYSDLII-JKSUJKDBSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cncn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccnc1C ZINC001032522484 703969790 /nfs/dbraw/zinc/96/97/90/703969790.db2.gz IIDARAUPQORKRH-IRXDYDNUSA-N 2 0 325.416 1.380 20 0 EDADRP C[C@H](C(N)=O)[NH+]1CCC([C@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997657917 703981142 /nfs/dbraw/zinc/98/11/42/703981142.db2.gz CLKBRFRLBAWZCL-QWHCGFSZSA-N 2 0 343.431 1.038 20 0 EDADRP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080317 704146452 /nfs/dbraw/zinc/14/64/52/704146452.db2.gz FXGNZEGNNKAVTF-OALUTQOASA-N 2 0 342.487 1.765 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033099946 704224726 /nfs/dbraw/zinc/22/47/26/704224726.db2.gz TUXAESKYVUXYCC-OKZBNKHCSA-N 2 0 347.507 1.226 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ocnc2C)C1 ZINC000999306668 706811665 /nfs/dbraw/zinc/81/16/65/706811665.db2.gz LBNOSDDWLAZRJZ-HOTGVXAUSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309772 706812542 /nfs/dbraw/zinc/81/25/42/706812542.db2.gz VWHIMKRMRKCBSG-FUHWJXTLSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)cn2)C1 ZINC000999310508 706813397 /nfs/dbraw/zinc/81/33/97/706813397.db2.gz YLRWFRUPKWXVPX-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004446408 704429605 /nfs/dbraw/zinc/42/96/05/704429605.db2.gz LCPOZFFOZBJZOH-ZWKOTPCHSA-N 2 0 337.508 1.556 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC000997784395 704688253 /nfs/dbraw/zinc/68/82/53/704688253.db2.gz DYNCZZSNKJQMCM-KBAYOESNSA-N 2 0 337.508 1.581 20 0 EDADRP CCn1cc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nn1 ZINC000997822924 704742904 /nfs/dbraw/zinc/74/29/04/704742904.db2.gz HPQGAQQROWNMNW-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)c1nncn1C ZINC000997830623 704749082 /nfs/dbraw/zinc/74/90/82/704749082.db2.gz KTMKBNZVUSHQDZ-AWEZNQCLSA-N 2 0 348.495 1.189 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000997832054 704750296 /nfs/dbraw/zinc/75/02/96/704750296.db2.gz XZVOXBLLDYYHJT-UHFFFAOYSA-N 2 0 335.452 1.191 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000997840552 704757127 /nfs/dbraw/zinc/75/71/27/704757127.db2.gz ONJVMFBXXBXCBO-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)s1 ZINC000944920616 704772760 /nfs/dbraw/zinc/77/27/60/704772760.db2.gz VFKGQULXTPWCSI-CZUORRHYSA-N 2 0 336.505 1.874 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029624 704956917 /nfs/dbraw/zinc/95/69/17/704956917.db2.gz UYWXUWDUCISWCU-YJBOKZPZSA-N 2 0 333.476 1.835 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC000998029127 705212515 /nfs/dbraw/zinc/21/25/15/705212515.db2.gz YWIHTZXSZYYYIS-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000998080955 705300467 /nfs/dbraw/zinc/30/04/67/705300467.db2.gz GJPVQOOHGIHKHL-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998081563 705301950 /nfs/dbraw/zinc/30/19/50/705301950.db2.gz JNNOEWNHKLQACT-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)C1 ZINC000998082617 705310046 /nfs/dbraw/zinc/31/00/46/705310046.db2.gz RNPANPSLDMNPLP-CQSZACIVSA-N 2 0 336.505 1.813 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)[nH]2)CC1)[NH+](C)C ZINC000998085710 705317495 /nfs/dbraw/zinc/31/74/95/705317495.db2.gz INOSLVANPLRPHD-WFASDCNBSA-N 2 0 336.484 1.343 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC1 ZINC000998174365 705468360 /nfs/dbraw/zinc/46/83/60/705468360.db2.gz AAZDLGNARDBJQK-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000998264711 705630482 /nfs/dbraw/zinc/63/04/82/705630482.db2.gz HHUHZYWDLBTFEF-GOEBONIOSA-N 2 0 331.464 1.318 20 0 EDADRP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998274764 705657346 /nfs/dbraw/zinc/65/73/46/705657346.db2.gz VUTBHCUSHPUNGP-OAHLLOKOSA-N 2 0 348.495 1.208 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000998286182 705681943 /nfs/dbraw/zinc/68/19/43/705681943.db2.gz HQOVVKVDMCITSS-UHFFFAOYSA-N 2 0 347.507 1.624 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000998552254 705989739 /nfs/dbraw/zinc/98/97/39/705989739.db2.gz UCJHSEWOMIGGFW-NRXISQOPSA-N 2 0 348.495 1.206 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998718988 706150747 /nfs/dbraw/zinc/15/07/47/706150747.db2.gz DPSAWHCLEFSNKY-HOTGVXAUSA-N 2 0 332.448 1.265 20 0 EDADRP COc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998728042 706158286 /nfs/dbraw/zinc/15/82/86/706158286.db2.gz BCMIWDMASAWNTE-PKOBYXMFSA-N 2 0 345.487 1.913 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C1CC([NH2+]CCF)C1 ZINC000998898861 706326455 /nfs/dbraw/zinc/32/64/55/706326455.db2.gz NJBJODVIMMSVIQ-BCLQGDPASA-N 2 0 327.444 1.178 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998995740 706413422 /nfs/dbraw/zinc/41/34/22/706413422.db2.gz UJUOHPLPFDYUDT-GPANFISMSA-N 2 0 348.495 1.170 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccccn3)C[C@H]2CC1 ZINC000946517198 706521052 /nfs/dbraw/zinc/52/10/52/706521052.db2.gz BEQPUSAGKOFBPT-SCTDSRPQSA-N 2 0 342.487 1.846 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000999345351 706856770 /nfs/dbraw/zinc/85/67/70/706856770.db2.gz ZVMHOGOLWUEEIY-LRVUVFPRSA-N 2 0 348.495 1.349 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](NCc3ccon3)C2)C1 ZINC000999350034 706862317 /nfs/dbraw/zinc/86/23/17/706862317.db2.gz WHFIHXBWENFVEG-DOTOQJQBSA-N 2 0 334.464 1.733 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](NCc3ccon3)C2)C1 ZINC000999350035 706862355 /nfs/dbraw/zinc/86/23/55/706862355.db2.gz WHFIHXBWENFVEG-NVXWUHKLSA-N 2 0 334.464 1.733 20 0 EDADRP Cc1nnc([C@H](C)N[C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999350780 706863190 /nfs/dbraw/zinc/86/31/90/706863190.db2.gz BNDKOYBTYTYNCT-JSGCOSHPSA-N 2 0 335.452 1.504 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999374980 706869155 /nfs/dbraw/zinc/86/91/55/706869155.db2.gz SQNXHWMGNZQHJV-DZGCQCFKSA-N 2 0 337.493 1.267 20 0 EDADRP Cc1nnc(CNC2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)s1 ZINC000999405211 706914218 /nfs/dbraw/zinc/91/42/18/706914218.db2.gz DBBGXZGHSQFUQO-LMWSTFAQSA-N 2 0 337.493 1.410 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC000999503382 707000895 /nfs/dbraw/zinc/00/08/95/707000895.db2.gz QSJIHFXVTGBXMT-ZLPCBKJTSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000999510756 707009105 /nfs/dbraw/zinc/00/91/05/707009105.db2.gz LYIRYMMUPCLFSJ-DOTOQJQBSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999575951 707082854 /nfs/dbraw/zinc/08/28/54/707082854.db2.gz RTPBYVZELVVJRA-IRXDYDNUSA-N 2 0 347.507 1.621 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999614002 707131268 /nfs/dbraw/zinc/13/12/68/707131268.db2.gz LIXVZUHNKMXJBY-ZDUSSCGKSA-N 2 0 342.428 1.580 20 0 EDADRP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999682949 707168328 /nfs/dbraw/zinc/16/83/28/707168328.db2.gz UEUSBYPOVSPREB-WLYUNCDWSA-N 2 0 336.505 1.872 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCS(=O)(=O)CC2)cc1 ZINC000361324034 707297797 /nfs/dbraw/zinc/29/77/97/707297797.db2.gz LCSJBHMDPKUEPD-UHFFFAOYSA-N 2 0 340.489 1.684 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033296617 707406950 /nfs/dbraw/zinc/40/69/50/707406950.db2.gz WPBSKPTXKMSUAD-MJGOQNOKSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033196663 707411180 /nfs/dbraw/zinc/41/11/80/707411180.db2.gz DNTBFNGBSQAOAO-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870832 707513289 /nfs/dbraw/zinc/51/32/89/707513289.db2.gz ICIBFEIRMMKVCX-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999884038 707537373 /nfs/dbraw/zinc/53/73/73/707537373.db2.gz QYXRMIBWAHSUCN-MRXNPFEDSA-N 2 0 345.491 1.740 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001000106963 707700155 /nfs/dbraw/zinc/70/01/55/707700155.db2.gz VQNCXIMTZPFLFE-WBVHZDCISA-N 2 0 335.492 1.478 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2ccccc2)C1 ZINC001032731476 707733276 /nfs/dbraw/zinc/73/32/76/707733276.db2.gz KOALKRLDOOEGSC-FHWLQOOXSA-N 2 0 327.472 1.856 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946765300 707771064 /nfs/dbraw/zinc/77/10/64/707771064.db2.gz LSJSNYHZYPGXKV-WNRNVDISSA-N 2 0 339.524 1.778 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004980677 707823455 /nfs/dbraw/zinc/82/34/55/707823455.db2.gz LBNIFMWJPPGKBF-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP CC1CC(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CN(C)CCO4)CC[C@@H]3C2)C1 ZINC000946536573 707895611 /nfs/dbraw/zinc/89/56/11/707895611.db2.gz POSJXCUOHMXTDE-QCRHNUIXSA-N 2 0 349.519 1.534 20 0 EDADRP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032782243 707972418 /nfs/dbraw/zinc/97/24/18/707972418.db2.gz ZDBOBSOPRJJIFP-FHWLQOOXSA-N 2 0 327.472 1.774 20 0 EDADRP C[C@@H](F)CC[NH+]1CCC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001001411804 708144937 /nfs/dbraw/zinc/14/49/37/708144937.db2.gz DSHYKZPFVXWVBW-PBHICJAKSA-N 2 0 325.472 1.905 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001033530867 708153491 /nfs/dbraw/zinc/15/34/91/708153491.db2.gz HJEOXSZUUOHKIC-ZWKOTPCHSA-N 2 0 337.508 1.678 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2CC[NH+](CCC3CC3)CC2)C1 ZINC001001756666 708279887 /nfs/dbraw/zinc/27/98/87/708279887.db2.gz HSHOFJITZNRDFU-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CCN(Cc3cnon3)CC2)C1 ZINC001001757261 708280951 /nfs/dbraw/zinc/28/09/51/708280951.db2.gz QEGXGONCCSRIRC-INIZCTEOSA-N 2 0 349.479 1.520 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cs1 ZINC001033654348 708422113 /nfs/dbraw/zinc/42/21/13/708422113.db2.gz AJEQVVBAIVLLGU-HOCLYGCPSA-N 2 0 336.505 1.478 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033658800 708469859 /nfs/dbraw/zinc/46/98/59/708469859.db2.gz UPOWRGBBJIPYMT-ZWKOTPCHSA-N 2 0 331.460 1.349 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](CCCO)CC2)CC1 ZINC001002004648 708521349 /nfs/dbraw/zinc/52/13/49/708521349.db2.gz OWUYJZVYAWQHKO-UHFFFAOYSA-N 2 0 325.497 1.317 20 0 EDADRP Cc1cnc([C@@H](C)N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002120619 708634358 /nfs/dbraw/zinc/63/43/58/708634358.db2.gz JSXPDTMPRMKKQL-ZBFHGGJFSA-N 2 0 334.464 1.824 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128138 708644465 /nfs/dbraw/zinc/64/44/65/708644465.db2.gz VXOAUZSWYRSPGL-HUUCEWRRSA-N 2 0 345.434 1.191 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001033778250 708706424 /nfs/dbraw/zinc/70/64/24/708706424.db2.gz YZFCFEKUIZSMBX-ZWKOTPCHSA-N 2 0 347.507 1.517 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001005406440 708904366 /nfs/dbraw/zinc/90/43/66/708904366.db2.gz AUEXYMPSCPKCMC-CRAIPNDOSA-N 2 0 347.507 1.226 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033895702 709013527 /nfs/dbraw/zinc/01/35/27/709013527.db2.gz BMXWWNALIZMFFE-MRXNPFEDSA-N 2 0 343.431 1.186 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033928026 709059403 /nfs/dbraw/zinc/05/94/03/709059403.db2.gz TYVZZZXCOKXRCT-SJORKVTESA-N 2 0 333.480 1.290 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCC2 ZINC000921940933 709107153 /nfs/dbraw/zinc/10/71/53/709107153.db2.gz BDUKRYHDQAQEGX-UHFFFAOYSA-N 2 0 329.448 1.534 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001005476606 709113654 /nfs/dbraw/zinc/11/36/54/709113654.db2.gz OTESKVYEMAHVSD-NVXWUHKLSA-N 2 0 325.497 1.819 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001034043479 709294772 /nfs/dbraw/zinc/29/47/72/709294772.db2.gz VJZCEFQQJZCRFS-CABCVRRESA-N 2 0 336.505 1.826 20 0 EDADRP C[C@@]12CN(C(=O)C[C@@H]3C[NH2+]CCO3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069472 709311794 /nfs/dbraw/zinc/31/17/94/709311794.db2.gz LLTRLYBGERKOCG-NLWGTHIKSA-N 2 0 343.471 1.345 20 0 EDADRP C[C@@]12CN(C(=O)C[C@H]3C[NH2+]CCO3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069471 709311885 /nfs/dbraw/zinc/31/18/85/709311885.db2.gz LLTRLYBGERKOCG-CMKODMSKSA-N 2 0 343.471 1.345 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034132929 709402898 /nfs/dbraw/zinc/40/28/98/709402898.db2.gz VEVZKMPKHYUNDX-SJORKVTESA-N 2 0 333.480 1.028 20 0 EDADRP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034135852 709406835 /nfs/dbraw/zinc/40/68/35/709406835.db2.gz FRRKACPIWDWTFJ-ZWKOTPCHSA-N 2 0 330.476 1.955 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001002833784 709448989 /nfs/dbraw/zinc/44/89/89/709448989.db2.gz PDXKZUHNMKLESY-XUJQIHCRSA-N 2 0 349.519 1.724 20 0 EDADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010489 709781189 /nfs/dbraw/zinc/78/11/89/709781189.db2.gz HOZQIJYNLAWQGY-JKSUJKDBSA-N 2 0 338.496 1.094 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395552 709929426 /nfs/dbraw/zinc/92/94/26/709929426.db2.gz AAZFLMZULYGYAA-SJORKVTESA-N 2 0 347.507 1.418 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1)OC ZINC001003134057 710018456 /nfs/dbraw/zinc/01/84/56/710018456.db2.gz OQIWGOGNAMXGQH-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C1CCC1 ZINC001003161128 710070591 /nfs/dbraw/zinc/07/05/91/710070591.db2.gz UZGYLBWWQLXXCO-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(CN2CCC(NC(=O)[C@@H]3CCn4cncc4C3)CC2)on1 ZINC001003178851 710094495 /nfs/dbraw/zinc/09/44/95/710094495.db2.gz BLMGZKOOUCZCCT-CQSZACIVSA-N 2 0 343.431 1.523 20 0 EDADRP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490779 710109977 /nfs/dbraw/zinc/10/99/77/710109977.db2.gz NALBAWSRJNPIBQ-RDJZCZTQSA-N 2 0 334.464 1.796 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001032836445 710117301 /nfs/dbraw/zinc/11/73/01/710117301.db2.gz JCFOPSSRZBVNDH-GUDVDZBRSA-N 2 0 343.471 1.252 20 0 EDADRP Cc1c(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)ccc2c[nH+]cn21 ZINC001003220918 710139409 /nfs/dbraw/zinc/13/94/09/710139409.db2.gz FSKFGAROBQQJRD-HNNXBMFYSA-N 2 0 342.443 1.873 20 0 EDADRP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525394 710175656 /nfs/dbraw/zinc/17/56/56/710175656.db2.gz LXRUSGLVFCVHRP-IRXDYDNUSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1noc(CCC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525687 710176208 /nfs/dbraw/zinc/17/62/08/710176208.db2.gz OUHWFFKKHHBDSZ-CVEARBPZSA-N 2 0 349.479 1.233 20 0 EDADRP Cc1cc(C)n(CC[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034527796 710181988 /nfs/dbraw/zinc/18/19/88/710181988.db2.gz IJMLCWHUFSMTEU-SFHVURJKSA-N 2 0 347.507 1.566 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034537885 710210118 /nfs/dbraw/zinc/21/01/18/710210118.db2.gz GMABVQXYAIQDOO-ZWKOTPCHSA-N 2 0 347.507 1.728 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544377 710217958 /nfs/dbraw/zinc/21/79/58/710217958.db2.gz QTFZEJFEKBRLFF-RDJZCZTQSA-N 2 0 333.476 1.713 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001003372450 710291047 /nfs/dbraw/zinc/29/10/47/710291047.db2.gz KMMUGDQJZOVFSF-HNNXBMFYSA-N 2 0 333.476 1.366 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922166873 710315172 /nfs/dbraw/zinc/31/51/72/710315172.db2.gz YVYPKZULLUQWRE-UHFFFAOYSA-N 2 0 341.496 1.058 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649034 710325492 /nfs/dbraw/zinc/32/54/92/710325492.db2.gz POGLPBWICKEQGJ-BQFCYCMXSA-N 2 0 345.491 1.279 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034673922 710613634 /nfs/dbraw/zinc/61/36/34/710613634.db2.gz HCPJXRRGGKINFM-JYJNAYRXSA-N 2 0 334.464 1.984 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034671974 710615440 /nfs/dbraw/zinc/61/54/40/710615440.db2.gz FVOZWRGZUDBCBJ-ULQDDVLXSA-N 2 0 334.464 1.984 20 0 EDADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)CC1)C(N)=O ZINC001034680209 710679566 /nfs/dbraw/zinc/67/95/66/710679566.db2.gz FBQCCSZBVCHFJT-DZKIICNBSA-N 2 0 343.431 1.229 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001034698388 710794240 /nfs/dbraw/zinc/79/42/40/710794240.db2.gz IQUHQDCZIIVUJQ-OWYHZJEWSA-N 2 0 349.519 1.914 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001034698386 710794298 /nfs/dbraw/zinc/79/42/98/710794298.db2.gz IQUHQDCZIIVUJQ-NXWXRZEISA-N 2 0 349.519 1.914 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001034732566 710909992 /nfs/dbraw/zinc/90/99/92/710909992.db2.gz FSMYOTMMDFYEJS-ADAWSYLGSA-N 2 0 343.487 1.597 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)nn1 ZINC001034734083 710915155 /nfs/dbraw/zinc/91/51/55/710915155.db2.gz JYIIQWCVGJSDSB-BZUAXINKSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)on1 ZINC001034735579 710920877 /nfs/dbraw/zinc/92/08/77/710920877.db2.gz IXGXCKWCHUJKOP-BZUAXINKSA-N 2 0 334.464 1.984 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)C(N)=O)CC1 ZINC001034749246 710956620 /nfs/dbraw/zinc/95/66/20/710956620.db2.gz IXWXCPKXPPZOBU-KLHDSHLOSA-N 2 0 338.496 1.140 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC001034777396 711056331 /nfs/dbraw/zinc/05/63/31/711056331.db2.gz JSSAZVRJHNDWQS-XMTFNYHQSA-N 2 0 349.519 1.914 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034791246 711104278 /nfs/dbraw/zinc/10/42/78/711104278.db2.gz HYDXXXHNEASLSQ-KBAYOESNSA-N 2 0 330.476 1.859 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034794210 711124089 /nfs/dbraw/zinc/12/40/89/711124089.db2.gz APIFOPXTRPIVHH-QAQDUYKDSA-N 2 0 334.439 1.834 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034796506 711127669 /nfs/dbraw/zinc/12/76/69/711127669.db2.gz HUYCIBWRZXDXGM-DSPLQEQRSA-N 2 0 347.507 1.810 20 0 EDADRP Cn1cncc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034812541 711183011 /nfs/dbraw/zinc/18/30/11/711183011.db2.gz NNGFHYOJOMCXDU-GOSISDBHSA-N 2 0 341.459 1.420 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001003986874 711194478 /nfs/dbraw/zinc/19/44/78/711194478.db2.gz ZKSGOPIMJPWRCA-KXBFYZLASA-N 2 0 333.476 1.089 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(C[NH2+]CC3CC3)cc2)C1 ZINC001034823459 711225324 /nfs/dbraw/zinc/22/53/24/711225324.db2.gz VKGUQQJPDKAZTI-LJQANCHMSA-N 2 0 345.487 1.912 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C ZINC001034959519 711434708 /nfs/dbraw/zinc/43/47/08/711434708.db2.gz ZXVFOIVADKLATM-DLBZAZTESA-N 2 0 347.507 1.764 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C3CC3)no2)CC[N@@H+]1C ZINC001034939439 711441696 /nfs/dbraw/zinc/44/16/96/711441696.db2.gz AFPLIFSWGAXDRN-FRFSOERESA-N 2 0 346.475 1.973 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)sn1 ZINC001034941158 711445681 /nfs/dbraw/zinc/44/56/81/711445681.db2.gz JUMRQHPPBDHJEW-WBVHZDCISA-N 2 0 348.516 1.874 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642283 712126322 /nfs/dbraw/zinc/12/63/22/712126322.db2.gz CKCXNFJEZRHZHG-HCXYKTFWSA-N 2 0 349.519 1.820 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946644707 712152242 /nfs/dbraw/zinc/15/22/42/712152242.db2.gz ICPHKCIJKQJTHW-INDMIFKZSA-N 2 0 349.519 1.678 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)NC(=O)NC2CC2)c1 ZINC000056184828 214363730 /nfs/dbraw/zinc/36/37/30/214363730.db2.gz AHPLIIAINUKMLO-AWEZNQCLSA-N 2 0 346.475 1.995 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000369048681 282183890 /nfs/dbraw/zinc/18/38/90/282183890.db2.gz WQMSUNBCCCRSLA-ZACQAIPSSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000158476420 529773669 /nfs/dbraw/zinc/77/36/69/529773669.db2.gz LOMVYWRKHXSQHE-FQEVSTJZSA-N 2 0 342.487 1.260 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000171384261 529999962 /nfs/dbraw/zinc/99/99/62/529999962.db2.gz OEULPAMKHCERLD-UHFFFAOYSA-N 2 0 346.475 1.806 20 0 EDADRP C[C@@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCCC1 ZINC000193669892 295725299 /nfs/dbraw/zinc/72/52/99/295725299.db2.gz NCQZDQRYYRARAD-HOTGVXAUSA-N 2 0 338.496 1.097 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000103142971 219261533 /nfs/dbraw/zinc/26/15/33/219261533.db2.gz KUIXKKZHCBVHOX-UHFFFAOYSA-N 2 0 344.459 1.382 20 0 EDADRP Cc1cc(C)c(CNC(=O)N2C[C@H](N3CCOCC3)[C@@H](C)C2)cn1 ZINC000334092793 539668145 /nfs/dbraw/zinc/66/81/45/539668145.db2.gz OXMFBPITNCZWNE-YOEHRIQHSA-N 2 0 332.448 1.561 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000343015574 539776814 /nfs/dbraw/zinc/77/68/14/539776814.db2.gz POXYDHPHXUAXIY-OWCLPIDISA-N 2 0 340.512 1.022 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000563113299 306318766 /nfs/dbraw/zinc/31/87/66/306318766.db2.gz OVXXJBYLVIIZDT-KRWDZBQOSA-N 2 0 328.460 1.648 20 0 EDADRP COC[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000183423111 235064992 /nfs/dbraw/zinc/06/49/92/235064992.db2.gz HQJCTYSDTIZPMJ-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000185404793 295909013 /nfs/dbraw/zinc/90/90/13/295909013.db2.gz UPJPMHHBIDIALG-INIZCTEOSA-N 2 0 340.512 1.254 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000360166690 283165214 /nfs/dbraw/zinc/16/52/14/283165214.db2.gz ZLPTVFSZQWKGNQ-HOTGVXAUSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[N@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000052691085 138138957 /nfs/dbraw/zinc/13/89/57/138138957.db2.gz ILYIUBZSAPTRMZ-UHFFFAOYSA-N 2 0 347.503 1.734 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)CC2CCCC2)C1 ZINC000064020999 138170137 /nfs/dbraw/zinc/17/01/37/138170137.db2.gz HDEVTXCSVBBZGS-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000074252916 138229954 /nfs/dbraw/zinc/22/99/54/138229954.db2.gz BUBDULJOKFPBOR-IBGZPJMESA-N 2 0 344.503 1.995 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCOC3(C[NH2+]C3)C2)c1 ZINC000563561001 306339003 /nfs/dbraw/zinc/33/90/03/306339003.db2.gz GOOFLVCOQXCGLG-UHFFFAOYSA-N 2 0 332.448 1.022 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000563560675 306339089 /nfs/dbraw/zinc/33/90/89/306339089.db2.gz QUMPNEWOPCYUOX-GOEBONIOSA-N 2 0 332.448 1.575 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000563578539 306339550 /nfs/dbraw/zinc/33/95/50/306339550.db2.gz ACHDUQBIGSOTIZ-KBAYOESNSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333595929 290497461 /nfs/dbraw/zinc/49/74/61/290497461.db2.gz PSWJJIJTFSJTMQ-GJZGRUSLSA-N 2 0 345.491 1.913 20 0 EDADRP Cc1n[nH]cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427200 138288742 /nfs/dbraw/zinc/28/87/42/138288742.db2.gz QNLDFFUNKUDWPA-UHFFFAOYSA-N 2 0 335.496 1.634 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000123604173 138319707 /nfs/dbraw/zinc/31/97/07/138319707.db2.gz AGOWQSIDZYEOPU-UHFFFAOYSA-N 2 0 326.485 1.665 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000186843725 236039254 /nfs/dbraw/zinc/03/92/54/236039254.db2.gz YWIBBZVRVBOXQA-YJBOKZPZSA-N 2 0 330.476 1.162 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000373395217 291125381 /nfs/dbraw/zinc/12/53/81/291125381.db2.gz PYYGLXADNMVYAZ-CVYDXHPNSA-N 2 0 337.508 1.722 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000565099383 306375520 /nfs/dbraw/zinc/37/55/20/306375520.db2.gz MBRLXBDFJDMZNN-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP COC1(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCCC1 ZINC000414478751 304117976 /nfs/dbraw/zinc/11/79/76/304117976.db2.gz GEMMKWBKBYEOSX-UHFFFAOYSA-N 2 0 325.497 1.332 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC(C)(C)S(C)(=O)=O ZINC000414518581 304121581 /nfs/dbraw/zinc/12/15/81/304121581.db2.gz VKKPKMBYOPFGCM-UHFFFAOYSA-N 2 0 336.461 1.879 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](c2ccccc2)CO1 ZINC000414693652 304128548 /nfs/dbraw/zinc/12/85/48/304128548.db2.gz FCGDQUGXQIAJRE-SOLBZPMBSA-N 2 0 331.460 1.646 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000414698000 304128800 /nfs/dbraw/zinc/12/88/00/304128800.db2.gz HIHZHJDFIRTDMW-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000414698025 304129231 /nfs/dbraw/zinc/12/92/31/304129231.db2.gz HJFYZVGIIYVWEU-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000414698482 304129309 /nfs/dbraw/zinc/12/93/09/304129309.db2.gz RAKOEOSBAUXICF-HIFRSBDPSA-N 2 0 336.505 1.958 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000414743208 304136067 /nfs/dbraw/zinc/13/60/67/304136067.db2.gz UNKJWFCYQUMACT-QGZVFWFLSA-N 2 0 346.475 1.581 20 0 EDADRP COC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000343883988 284223724 /nfs/dbraw/zinc/22/37/24/284223724.db2.gz VLKRDTUCAIHKJD-QAPCUYQASA-N 2 0 326.481 1.887 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000415104135 304160637 /nfs/dbraw/zinc/16/06/37/304160637.db2.gz DPOIRRZDCHETMM-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000415118010 304161284 /nfs/dbraw/zinc/16/12/84/304161284.db2.gz XRCZMBDAYYUCLB-QGZVFWFLSA-N 2 0 344.459 1.431 20 0 EDADRP Cc1c(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236657549 139027778 /nfs/dbraw/zinc/02/77/78/139027778.db2.gz IQLXSBXUJFSSAJ-CQSZACIVSA-N 2 0 348.495 1.361 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1CC[NH2+]CC1 ZINC000237050902 139039167 /nfs/dbraw/zinc/03/91/67/139039167.db2.gz XNNBXZREISNKLY-UHFFFAOYSA-N 2 0 346.475 1.775 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000237193845 139043600 /nfs/dbraw/zinc/04/36/00/139043600.db2.gz NSGQLJLSSARKKY-OAHLLOKOSA-N 2 0 337.489 1.338 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000080157273 217284467 /nfs/dbraw/zinc/28/44/67/217284467.db2.gz DAOHWUXMRMMCAF-UHFFFAOYSA-N 2 0 347.463 1.405 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237567166 139054257 /nfs/dbraw/zinc/05/42/57/139054257.db2.gz SCQGXBRLRSXBIL-GOEBONIOSA-N 2 0 331.464 1.175 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CC12CC[NH2+]CC2)[N@@H+]1CCc2ccccc2C1 ZINC000237593790 139055086 /nfs/dbraw/zinc/05/50/86/139055086.db2.gz XENDYRZNSGAXOD-MAUKXSAKSA-N 2 0 327.472 1.939 20 0 EDADRP C[C@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cn2)C[C@H](C)O1 ZINC000237695749 139058101 /nfs/dbraw/zinc/05/81/01/139058101.db2.gz BAUBFGHZXFDBFW-HEHGZKQESA-N 2 0 334.464 1.685 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237666392 139057447 /nfs/dbraw/zinc/05/74/47/139057447.db2.gz IUWMAICFVLLLRF-SOLBZPMBSA-N 2 0 333.476 1.735 20 0 EDADRP [NH3+]C1(C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000237915175 139063719 /nfs/dbraw/zinc/06/37/19/139063719.db2.gz ANFDJQIYKIDJMN-UHFFFAOYSA-N 2 0 331.460 1.665 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415231625 304176941 /nfs/dbraw/zinc/17/69/41/304176941.db2.gz PKUGXMZKAFXNLL-SUMWQHHRSA-N 2 0 342.443 1.314 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000111823781 220199186 /nfs/dbraw/zinc/19/91/86/220199186.db2.gz OSLGWBNMLWNORZ-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CCCC1 ZINC000238054188 139067865 /nfs/dbraw/zinc/06/78/65/139067865.db2.gz DIXMPKZIVRCXQG-QGZVFWFLSA-N 2 0 331.460 1.523 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000111852236 220209633 /nfs/dbraw/zinc/20/96/33/220209633.db2.gz OPPXMWHHHWZFLZ-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP NCc1nc(C(=O)Nc2ccc(CN3CCOCC3)cc2)cs1 ZINC000238051658 139067644 /nfs/dbraw/zinc/06/76/44/139067644.db2.gz APSUCANZAQMHRI-UHFFFAOYSA-N 2 0 332.429 1.686 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@H](C)[NH3+] ZINC000415245500 304178014 /nfs/dbraw/zinc/17/80/14/304178014.db2.gz ZUIMLFHUBOVKSX-AWEZNQCLSA-N 2 0 349.479 1.696 20 0 EDADRP COC(=O)[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000245402712 139072217 /nfs/dbraw/zinc/07/22/17/139072217.db2.gz JBYUFFSBZMMVJS-OBMMGQTPSA-N 2 0 338.448 1.313 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000245395099 139071826 /nfs/dbraw/zinc/07/18/26/139071826.db2.gz ZGPKDNHZEYKIMP-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP CN1CCN([C@@H]2CCCC[N@H+](C[C@@H](O)COC(C)(C)C)C2)CC1 ZINC000245514984 139077619 /nfs/dbraw/zinc/07/76/19/139077619.db2.gz CXFREJBJSSPJQX-IAGOWNOFSA-N 2 0 327.513 1.264 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000415263842 304181323 /nfs/dbraw/zinc/18/13/23/304181323.db2.gz BLSQBICJPWKDHN-INIZCTEOSA-N 2 0 344.459 1.213 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000245950098 139090919 /nfs/dbraw/zinc/09/09/19/139090919.db2.gz YEJSTHIMOFRLHV-ZWKOTPCHSA-N 2 0 333.476 1.138 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246176214 139097885 /nfs/dbraw/zinc/09/78/85/139097885.db2.gz JPQFESVRWDXCDJ-OALUTQOASA-N 2 0 348.487 1.990 20 0 EDADRP CSC[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000246525600 139111937 /nfs/dbraw/zinc/11/19/37/139111937.db2.gz ABZHMQIAJYUYSE-HOTGVXAUSA-N 2 0 343.537 1.287 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000246551062 139112353 /nfs/dbraw/zinc/11/23/53/139112353.db2.gz TUSMXOIXXOMVOM-LSDHHAIUSA-N 2 0 333.432 1.004 20 0 EDADRP CCC[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246674145 139117161 /nfs/dbraw/zinc/11/71/61/139117161.db2.gz XINHGYIDAFHOJZ-MSOLQXFVSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1cn2cc(NC(=O)C(=O)NCC3([NH3+])CCCCCC3)ccc2n1 ZINC000415310354 304191275 /nfs/dbraw/zinc/19/12/75/304191275.db2.gz CEEACNQKNLXURQ-UHFFFAOYSA-N 2 0 343.431 1.749 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000247077031 139134512 /nfs/dbraw/zinc/13/45/12/139134512.db2.gz OPALXYMZZDGGGK-DOTOQJQBSA-N 2 0 337.464 1.622 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338264085 284582852 /nfs/dbraw/zinc/58/28/52/284582852.db2.gz VMYSZAJQKNXQSY-MRXNPFEDSA-N 2 0 331.526 1.322 20 0 EDADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247177469 139139155 /nfs/dbraw/zinc/13/91/55/139139155.db2.gz YWXNQEIIYGPXFP-RLLQIKCJSA-N 2 0 346.519 1.992 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000415377757 304208310 /nfs/dbraw/zinc/20/83/10/304208310.db2.gz GITSMGVQBXBZNU-UHFFFAOYSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000247573926 139152662 /nfs/dbraw/zinc/15/26/62/139152662.db2.gz XEGOLYOHBOKQQZ-MAUKXSAKSA-N 2 0 345.491 1.685 20 0 EDADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820964 218171766 /nfs/dbraw/zinc/17/17/66/218171766.db2.gz BLXCTSZXUONZLS-ZDUSSCGKSA-N 2 0 333.436 1.203 20 0 EDADRP CC[N@H+](C[C@@H](O)CN1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000248905763 139180134 /nfs/dbraw/zinc/18/01/34/139180134.db2.gz YLLJDYRHTUZVHZ-PMACEKPBSA-N 2 0 347.503 1.276 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000248881320 139178906 /nfs/dbraw/zinc/17/89/06/139178906.db2.gz SIEYXJBPICCVLM-ARFHVFGLSA-N 2 0 325.497 1.852 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(OC)cc(OC)c3)C2)CC1 ZINC000093132945 218196416 /nfs/dbraw/zinc/19/64/16/218196416.db2.gz HOLBBGWOOJJPKL-KRWDZBQOSA-N 2 0 333.476 1.916 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1(C)C ZINC000249060895 139184440 /nfs/dbraw/zinc/18/44/40/139184440.db2.gz GRAKBOJCDHXIBK-DAYGRLMNSA-N 2 0 325.497 1.900 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415411455 304216686 /nfs/dbraw/zinc/21/66/86/304216686.db2.gz GRKKJGGDZCIAEI-OAHLLOKOSA-N 2 0 346.475 1.235 20 0 EDADRP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405138 218223091 /nfs/dbraw/zinc/22/30/91/218223091.db2.gz RATVZIZDPBUSMX-GOEBONIOSA-N 2 0 344.507 1.880 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000251669591 139202261 /nfs/dbraw/zinc/20/22/61/139202261.db2.gz LQQAMMUHXSRSNR-XHSDSOJGSA-N 2 0 326.485 1.079 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)COC1CC[NH2+]CC1 ZINC000261602591 139209996 /nfs/dbraw/zinc/20/99/96/139209996.db2.gz BRXZFRARFJOHJS-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000261737786 139221999 /nfs/dbraw/zinc/22/19/99/139221999.db2.gz NRBQLLVTGUHWFU-GVDBMIGSSA-N 2 0 337.489 1.387 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CCOc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261765938 139224245 /nfs/dbraw/zinc/22/42/45/139224245.db2.gz WIAXYSRVKOQSGB-SJLPKXTDSA-N 2 0 331.460 1.646 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(OC)c1OC ZINC000261749949 139222930 /nfs/dbraw/zinc/22/29/30/139222930.db2.gz URHVTTSSBBUQGX-HNNXBMFYSA-N 2 0 335.448 1.192 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)O1 ZINC000261930876 139237979 /nfs/dbraw/zinc/23/79/79/139237979.db2.gz ZTGJNRJMPOQMFO-KSZLIROESA-N 2 0 331.460 1.174 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261964008 139240444 /nfs/dbraw/zinc/24/04/44/139240444.db2.gz PRGYXWAZKGUJDQ-INIZCTEOSA-N 3 0 338.540 1.402 20 0 EDADRP CN1c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2CCC1=O ZINC000262091003 139250226 /nfs/dbraw/zinc/25/02/26/139250226.db2.gz GZYDPMMOZOFIFH-KRWDZBQOSA-N 2 0 328.460 1.075 20 0 EDADRP COc1cccc(NC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262113511 139251929 /nfs/dbraw/zinc/25/19/29/139251929.db2.gz MSSKPVWBXUTMTN-UHFFFAOYSA-N 2 0 346.475 1.393 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccc(NC(=O)C[NH+]3CCCCCC3)cc2)CC1 ZINC000262170742 139256969 /nfs/dbraw/zinc/25/69/69/139256969.db2.gz WYSDJMIDJWQVRB-UHFFFAOYSA-N 2 0 330.432 1.931 20 0 EDADRP COc1cccc(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000262222662 139261308 /nfs/dbraw/zinc/26/13/08/139261308.db2.gz UQMXHTIOUZBAGZ-UHFFFAOYSA-N 2 0 331.460 1.697 20 0 EDADRP O=C(N1CCC[N@@H+](C2CCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262253661 139263880 /nfs/dbraw/zinc/26/38/80/139263880.db2.gz LRNBNUUJVDYTOS-UHFFFAOYSA-N 2 0 345.491 1.439 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000415573192 304228893 /nfs/dbraw/zinc/22/88/93/304228893.db2.gz PRSGTDDQVIAZEH-UHFFFAOYSA-N 2 0 346.475 1.235 20 0 EDADRP C[N@H+](CCCNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000417004482 251127233 /nfs/dbraw/zinc/12/72/33/251127233.db2.gz CIXVGLRFMSTOEG-MRXNPFEDSA-N 2 0 326.485 1.319 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)[C@H](C[NH3+])C1 ZINC000417009161 251129432 /nfs/dbraw/zinc/12/94/32/251129432.db2.gz MYLLAKZVUPZEJB-ROUUACIJSA-N 2 0 346.475 1.192 20 0 EDADRP COCC1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262315423 139269453 /nfs/dbraw/zinc/26/94/53/139269453.db2.gz BHBKJLMMFUTJNE-UHFFFAOYSA-N 2 0 345.487 1.567 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417012319 251130725 /nfs/dbraw/zinc/13/07/25/251130725.db2.gz WXXUDJHDXGWNMM-INIZCTEOSA-N 2 0 330.476 1.686 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417016814 251133892 /nfs/dbraw/zinc/13/38/92/251133892.db2.gz ITDCDIOHZFBVBH-QGZVFWFLSA-N 2 0 347.507 1.183 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417019388 251134335 /nfs/dbraw/zinc/13/43/35/251134335.db2.gz ISGKSCKATXQRGU-WMZOPIPTSA-N 2 0 330.476 1.861 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000417002802 251126610 /nfs/dbraw/zinc/12/66/10/251126610.db2.gz GSZLHLARTZMWEP-CEXWTWQISA-N 2 0 344.503 1.800 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000417222836 251148177 /nfs/dbraw/zinc/14/81/77/251148177.db2.gz QUMIUPZMUWKFMB-RANZSIQMSA-N 2 0 328.460 1.825 20 0 EDADRP COC[C@H]([NH3+])C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000262349006 139272159 /nfs/dbraw/zinc/27/21/59/139272159.db2.gz UFMGDCBNYBBKSY-IRXDYDNUSA-N 2 0 333.476 1.549 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417318037 251158376 /nfs/dbraw/zinc/15/83/76/251158376.db2.gz XXBCHMRRLWQWMF-OWCLPIDISA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262342522 139271626 /nfs/dbraw/zinc/27/16/26/139271626.db2.gz IBOGSTXARHPWOX-APWZRJJASA-N 2 0 345.487 1.913 20 0 EDADRP CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[NH2+]C1 ZINC000417435504 251172397 /nfs/dbraw/zinc/17/23/97/251172397.db2.gz BSLPRQWCKMQSSM-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000417597104 251202590 /nfs/dbraw/zinc/20/25/90/251202590.db2.gz SEYVFNSSSFRMOC-KRWDZBQOSA-N 2 0 346.475 1.665 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1F ZINC000417656949 251216013 /nfs/dbraw/zinc/21/60/13/251216013.db2.gz GXZUQTRTZVVPQL-LXZKKBNFSA-N 2 0 334.439 1.766 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417633939 251210089 /nfs/dbraw/zinc/21/00/89/251210089.db2.gz YINHPNHUNFVBLU-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP COCC[NH2+]CCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000417687433 251229932 /nfs/dbraw/zinc/22/99/32/251229932.db2.gz HZXYRLSQWMMPDK-MRXNPFEDSA-N 2 0 348.491 1.747 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417670643 251223164 /nfs/dbraw/zinc/22/31/64/251223164.db2.gz OPHZTEBXJORKKH-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000417674584 251225114 /nfs/dbraw/zinc/22/51/14/251225114.db2.gz ZVSUKLXEFGPTQI-QRVBRYPASA-N 2 0 342.487 1.902 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719163 251241575 /nfs/dbraw/zinc/24/15/75/251241575.db2.gz WLPLUCZMXNLZQD-MSOLQXFVSA-N 2 0 348.491 1.830 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000417742806 251252621 /nfs/dbraw/zinc/25/26/21/251252621.db2.gz BNICTONSMKYFPZ-UHFFFAOYSA-N 2 0 333.480 1.735 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417752391 251255935 /nfs/dbraw/zinc/25/59/35/251255935.db2.gz MMQCWJUIPGAFFS-IXDOHACOSA-N 2 0 339.528 1.029 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417847062 251295656 /nfs/dbraw/zinc/29/56/56/251295656.db2.gz YYQCTVYNXGIZGT-ZBFHGGJFSA-N 2 0 342.447 1.022 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000417809085 251278894 /nfs/dbraw/zinc/27/88/94/251278894.db2.gz AUZMFXIJNDXMBW-CYBMUJFWSA-N 2 0 330.436 1.893 20 0 EDADRP C[C@H](NC(=O)N1CCC(OCCC[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000417847770 251296047 /nfs/dbraw/zinc/29/60/47/251296047.db2.gz AQBQTJKFBTVGRM-AWEZNQCLSA-N 2 0 328.501 1.502 20 0 EDADRP C[C@@H](CCNC(=O)N1CCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000417822950 251284664 /nfs/dbraw/zinc/28/46/64/251284664.db2.gz XPCPNERDXDJTHN-DOTOQJQBSA-N 2 0 334.464 1.266 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417823618 251284740 /nfs/dbraw/zinc/28/47/40/251284740.db2.gz YSEASHLIXUNBFX-OAHLLOKOSA-N 2 0 334.468 1.072 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944239 251316902 /nfs/dbraw/zinc/31/69/02/251316902.db2.gz CCVZYEBLSPJCFZ-NBLIUIFLSA-N 2 0 326.391 1.745 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417992967 251318922 /nfs/dbraw/zinc/31/89/22/251318922.db2.gz NGBSPFKXCGIZEO-ROUUACIJSA-N 2 0 348.491 1.426 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000418113391 251326395 /nfs/dbraw/zinc/32/63/95/251326395.db2.gz JHZOXOBMPSDHJL-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417857411 251300168 /nfs/dbraw/zinc/30/01/68/251300168.db2.gz XWVPXIBNTPYLDM-HUUCEWRRSA-N 2 0 326.485 1.304 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000418423278 251366744 /nfs/dbraw/zinc/36/67/44/251366744.db2.gz FEDGOQXYNJJUOU-JKSUJKDBSA-N 2 0 328.501 1.502 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000418425724 251366768 /nfs/dbraw/zinc/36/67/68/251366768.db2.gz KGYMQXDLCDIDNH-HNNXBMFYSA-N 2 0 327.517 1.075 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418423640 251367245 /nfs/dbraw/zinc/36/72/45/251367245.db2.gz FITQWTWURNWEGL-OAHLLOKOSA-N 2 0 328.501 1.502 20 0 EDADRP C[NH2+]CCCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418159348 251349093 /nfs/dbraw/zinc/34/90/93/251349093.db2.gz DFWLBLOCTZOJPP-UHFFFAOYSA-N 2 0 334.464 1.568 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418198247 251354515 /nfs/dbraw/zinc/35/45/15/251354515.db2.gz VALBUWKVXNIDFU-NXWXRZEISA-N 2 0 342.487 1.900 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000418384414 251363605 /nfs/dbraw/zinc/36/36/05/251363605.db2.gz OHIWQNJTLJWUAG-DLBZAZTESA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418405367 251366034 /nfs/dbraw/zinc/36/60/34/251366034.db2.gz KZBRMKIYZSXZKS-MAZHCROVSA-N 2 0 340.418 1.693 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(F)F ZINC000418713193 251393273 /nfs/dbraw/zinc/39/32/73/251393273.db2.gz ONGNRCABXBNMDI-OAHLLOKOSA-N 2 0 340.418 1.886 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418581933 251379242 /nfs/dbraw/zinc/37/92/42/251379242.db2.gz MMCKSJYUYWJYIC-KBPBESRZSA-N 2 0 333.436 1.192 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000418584053 251379665 /nfs/dbraw/zinc/37/96/65/251379665.db2.gz XEPBAGYCOBLTLY-PBHICJAKSA-N 2 0 336.455 1.897 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418639970 251382029 /nfs/dbraw/zinc/38/20/29/251382029.db2.gz MKYMFBOAZOHLAP-KRWDZBQOSA-N 2 0 338.496 1.439 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000262637243 139292086 /nfs/dbraw/zinc/29/20/86/139292086.db2.gz IEXCHKJGONNMPV-ZACQAIPSSA-N 2 0 330.476 1.441 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262653208 139293322 /nfs/dbraw/zinc/29/33/22/139293322.db2.gz SNNFXLOEGQXOBH-BZUAXINKSA-N 2 0 344.459 1.450 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3CCC[NH2+]C3)CCCCC2)CCO1 ZINC000262669818 139295032 /nfs/dbraw/zinc/29/50/32/139295032.db2.gz MWPDGERWUNJOMG-MRXNPFEDSA-N 2 0 337.508 1.916 20 0 EDADRP [NH3+]C1(C(=O)Nc2cccc(NC(=O)C[NH+]3CCCCCC3)c2)CC1 ZINC000262693900 139296824 /nfs/dbraw/zinc/29/68/24/139296824.db2.gz BRRDNDVDBHSLMC-UHFFFAOYSA-N 2 0 330.432 1.931 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000262709261 139298066 /nfs/dbraw/zinc/29/80/66/139298066.db2.gz OUDBIXRNWXSTGT-IBGZPJMESA-N 2 0 333.476 1.777 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262709721 139298077 /nfs/dbraw/zinc/29/80/77/139298077.db2.gz PGYJCCWYURYTJA-MRXNPFEDSA-N 2 0 332.448 1.450 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262702365 139297403 /nfs/dbraw/zinc/29/74/03/139297403.db2.gz CMYHGWCPIRJKCF-HZPDHXFCSA-N 2 0 333.480 1.658 20 0 EDADRP Cc1csc2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420343369 251686651 /nfs/dbraw/zinc/68/66/51/251686651.db2.gz QVMMYGWBFAFWHS-KBPBESRZSA-N 2 0 332.473 1.886 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1cccs1 ZINC000262732768 139299767 /nfs/dbraw/zinc/29/97/67/139299767.db2.gz IFQOXNFVCNQALW-HIFRSBDPSA-N 2 0 347.488 1.902 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262778068 139302856 /nfs/dbraw/zinc/30/28/56/139302856.db2.gz LCJWNNJWLUDTSO-CYBMUJFWSA-N 2 0 347.463 1.968 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262851684 139307962 /nfs/dbraw/zinc/30/79/62/139307962.db2.gz KDTSKOPULSXEIS-QGZVFWFLSA-N 2 0 335.448 1.193 20 0 EDADRP NC(=O)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000153133953 224063341 /nfs/dbraw/zinc/06/33/41/224063341.db2.gz BQCWEXISDJKZND-UHFFFAOYSA-N 2 0 345.487 1.565 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422843838 251997777 /nfs/dbraw/zinc/99/77/77/251997777.db2.gz JTOIPHJQOQCOFG-RCCFBDPRSA-N 2 0 336.524 1.487 20 0 EDADRP COCC[NH2+]CCN[C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423343951 252047902 /nfs/dbraw/zinc/04/79/02/252047902.db2.gz WOGZDUDECNGDSF-CQSZACIVSA-N 2 0 341.477 1.113 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423670190 252065945 /nfs/dbraw/zinc/06/59/45/252065945.db2.gz LXTXZAFTOGZMOS-ZWKOTPCHSA-N 2 0 331.460 1.491 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)c2c[nH+]ccc2N)CCC[N@@H+]1C ZINC000423932230 252105857 /nfs/dbraw/zinc/10/58/57/252105857.db2.gz NSZKXHGKGUNESW-BLLLJJGKSA-N 2 0 328.420 1.041 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424025529 252118108 /nfs/dbraw/zinc/11/81/08/252118108.db2.gz ZHBXBTAHOPZMLN-SJLPKXTDSA-N 3 0 344.503 1.484 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1F ZINC000424033279 252122141 /nfs/dbraw/zinc/12/21/41/252122141.db2.gz XWDILZAGRLAQAX-UIBIWLFHSA-N 2 0 331.435 1.715 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423800670 252080464 /nfs/dbraw/zinc/08/04/64/252080464.db2.gz RWDGFUKMCCWUEA-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424150937 252145009 /nfs/dbraw/zinc/14/50/09/252145009.db2.gz ZYWCJFBGALZXDN-CABCVRRESA-N 2 0 334.468 1.197 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424169148 252151154 /nfs/dbraw/zinc/15/11/54/252151154.db2.gz JIGVXKHHRQNAIW-MRXNPFEDSA-N 2 0 342.447 1.825 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000424173093 252153354 /nfs/dbraw/zinc/15/33/54/252153354.db2.gz LYNWZFIRMAMQFT-KGLIPLIRSA-N 2 0 329.366 1.943 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424125610 252132139 /nfs/dbraw/zinc/13/21/39/252132139.db2.gz AJIICGCDKODDOV-RDJZCZTQSA-N 2 0 348.495 1.443 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424445428 252234008 /nfs/dbraw/zinc/23/40/08/252234008.db2.gz FNBQJIFTKUEYAS-RHSMWYFYSA-N 2 0 346.475 1.723 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C[C@@H]1CC ZINC000263031732 139318698 /nfs/dbraw/zinc/31/86/98/139318698.db2.gz RZOUANJWQSAPHT-XYJFISCASA-N 2 0 325.497 1.853 20 0 EDADRP COC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]CC1 ZINC000167546930 532973785 /nfs/dbraw/zinc/97/37/85/532973785.db2.gz PDNMQRACNNEKBL-SJLPKXTDSA-N 2 0 345.487 1.924 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H](C)C[NH3+])c2C1 ZINC000415641051 304244922 /nfs/dbraw/zinc/24/49/22/304244922.db2.gz KFQGOHJCBXJZLK-STQMWFEESA-N 2 0 332.448 1.449 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000415649533 304247328 /nfs/dbraw/zinc/24/73/28/304247328.db2.gz AKPBPWQNYYOFMT-WMLDXEAASA-N 2 0 346.475 1.724 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000374461265 285075222 /nfs/dbraw/zinc/07/52/22/285075222.db2.gz VJCXXNXQBIBVNL-QFBILLFUSA-N 2 0 349.475 1.430 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415717069 304260966 /nfs/dbraw/zinc/26/09/66/304260966.db2.gz DEBNMEJMAUNPNS-HNNXBMFYSA-N 2 0 346.475 1.378 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000487525619 255031944 /nfs/dbraw/zinc/03/19/44/255031944.db2.gz LWUPJDUEWPGUIL-UHFFFAOYSA-N 2 0 345.487 1.601 20 0 EDADRP CCOC[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000489079709 255063803 /nfs/dbraw/zinc/06/38/03/255063803.db2.gz SIMWSFBDOVBCGJ-PMRDEQMMSA-N 2 0 338.496 1.364 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccn1 ZINC000449826742 285247897 /nfs/dbraw/zinc/24/78/97/285247897.db2.gz SJCMNSFOUKNJEL-DLBZAZTESA-N 2 0 348.491 1.723 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493979447 255229560 /nfs/dbraw/zinc/22/95/60/255229560.db2.gz ZXFXRVQUXSRQDQ-LMDPOFIKSA-N 2 0 345.487 1.911 20 0 EDADRP Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000494667312 255257031 /nfs/dbraw/zinc/25/70/31/255257031.db2.gz NXLQTNQSCPJBSR-OAHLLOKOSA-N 2 0 337.489 1.423 20 0 EDADRP C[C@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnc(N(C)C)n1C ZINC000495890308 255334781 /nfs/dbraw/zinc/33/47/81/255334781.db2.gz ZBSDBAISYLDSDO-LBPRGKRZSA-N 2 0 325.457 1.737 20 0 EDADRP C[C@@H](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000496238459 255368756 /nfs/dbraw/zinc/36/87/56/255368756.db2.gz LGFRGFGVYVUIHA-AWEZNQCLSA-N 2 0 341.500 1.890 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000115810771 220906295 /nfs/dbraw/zinc/90/62/95/220906295.db2.gz XBDTYUFQHYMIES-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1cccnc1 ZINC000263955316 139372030 /nfs/dbraw/zinc/37/20/30/139372030.db2.gz MLRAPPQXGLIULR-MRXNPFEDSA-N 2 0 334.464 1.335 20 0 EDADRP CC(C)(O)[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1C(C)(C)O ZINC000119032692 221227055 /nfs/dbraw/zinc/22/70/55/221227055.db2.gz QITOYIIIBJSASE-IYBDPMFKSA-N 2 0 328.497 1.474 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000154925289 224328119 /nfs/dbraw/zinc/32/81/19/224328119.db2.gz TVXOBGZHMFBYBP-HZPDHXFCSA-N 2 0 346.475 1.930 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000262661494 285323800 /nfs/dbraw/zinc/32/38/00/285323800.db2.gz YJNILWTVCGPFLW-GOSISDBHSA-N 2 0 346.519 1.814 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000264335373 139398174 /nfs/dbraw/zinc/39/81/74/139398174.db2.gz YFCWCIDTQPNXOT-UHFFFAOYSA-N 2 0 336.480 1.420 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c1 ZINC000415925363 304285819 /nfs/dbraw/zinc/28/58/19/304285819.db2.gz XVFARQJRKBOYRB-LSDHHAIUSA-N 2 0 334.464 1.715 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416047559 304287137 /nfs/dbraw/zinc/28/71/37/304287137.db2.gz PFBRRDXICREQBO-AWEZNQCLSA-N 2 0 344.381 1.792 20 0 EDADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423798124 304301304 /nfs/dbraw/zinc/30/13/04/304301304.db2.gz OCSYCZTXIMQBJR-SFHVURJKSA-N 2 0 349.519 1.727 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000270942710 140204365 /nfs/dbraw/zinc/20/43/65/140204365.db2.gz WPTQZDAIVKRCBU-TYKASLFTSA-N 2 0 331.460 1.103 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C[C@H]21 ZINC000333127112 141268391 /nfs/dbraw/zinc/26/83/91/141268391.db2.gz BEOLVRJAVDFTLN-KLHDSHLOSA-N 2 0 329.448 1.429 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333358214 141304873 /nfs/dbraw/zinc/30/48/73/141304873.db2.gz CKVMHUGJOKKBHT-QGZVFWFLSA-N 2 0 345.491 1.948 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)C1CCCCC1 ZINC000333486600 141325099 /nfs/dbraw/zinc/32/50/99/141325099.db2.gz CTQWEIPPRHLLNL-IRXDYDNUSA-N 2 0 338.496 1.400 20 0 EDADRP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641887 141349282 /nfs/dbraw/zinc/34/92/82/141349282.db2.gz XKFQHDLGNSVDJV-QWRGUYRKSA-N 2 0 333.358 1.471 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333780965 141380601 /nfs/dbraw/zinc/38/06/01/141380601.db2.gz DSWAEHPYFFFVFE-DOTOQJQBSA-N 2 0 338.496 1.128 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000339382531 142032495 /nfs/dbraw/zinc/03/24/95/142032495.db2.gz WEAABXPKOJACOK-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC[NH+]1CCCCC1)C(C)C ZINC000339612054 142093126 /nfs/dbraw/zinc/09/31/26/142093126.db2.gz BZGRWTYMVVPRHZ-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000340212147 142304736 /nfs/dbraw/zinc/30/47/36/142304736.db2.gz MTMHUFVUXYCUFX-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000345966761 143152190 /nfs/dbraw/zinc/15/21/90/143152190.db2.gz BWEDFSHXOXDSAN-IAGOWNOFSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000346344298 143194289 /nfs/dbraw/zinc/19/42/89/143194289.db2.gz DASOVIVZNLCQRM-HOTGVXAUSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1C[C@@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000346695517 143232993 /nfs/dbraw/zinc/23/29/93/143232993.db2.gz CTIRJWRSGPAIDO-YVWKXTFCSA-N 2 0 329.488 1.838 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347045374 143275879 /nfs/dbraw/zinc/27/58/79/143275879.db2.gz NPNPMTFXPJEPMB-OAHLLOKOSA-N 2 0 335.448 1.381 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCOC1 ZINC000347258317 143301070 /nfs/dbraw/zinc/30/10/70/143301070.db2.gz CCWKZSWTHJGGCM-RYQLBKOJSA-N 2 0 333.476 1.290 20 0 EDADRP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348080315 143398547 /nfs/dbraw/zinc/39/85/47/143398547.db2.gz HZGLFMURZUAWRU-BQFCYCMXSA-N 2 0 337.487 1.749 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H](C)O1 ZINC000572956892 306605182 /nfs/dbraw/zinc/60/51/82/306605182.db2.gz QDRBGXXUJDEZBD-ZBRFXRBCSA-N 2 0 337.508 1.994 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+](C)C)[C@H](C)C1 ZINC000356084035 286060229 /nfs/dbraw/zinc/06/02/29/286060229.db2.gz DFGDNNHKRZZGST-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]2CCCC2)c1 ZINC000416857688 304352473 /nfs/dbraw/zinc/35/24/73/304352473.db2.gz SEIVUFJZDBNOEM-INIZCTEOSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000353332279 149368499 /nfs/dbraw/zinc/36/84/99/149368499.db2.gz POPRYMHWAOPMHY-KURKYZTESA-N 2 0 341.540 1.510 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353424836 149399698 /nfs/dbraw/zinc/39/96/98/149399698.db2.gz GGXFSWZBSLRDRY-QBPKDAKJSA-N 2 0 325.497 1.626 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000369925902 155236263 /nfs/dbraw/zinc/23/62/63/155236263.db2.gz GTJOIJZWCOQOAF-NVXWUHKLSA-N 2 0 333.480 1.261 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000573548899 306623610 /nfs/dbraw/zinc/62/36/10/306623610.db2.gz LRNUOIXHPOJHHA-LPHOPBHVSA-N 2 0 326.444 1.640 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000416969878 304357201 /nfs/dbraw/zinc/35/72/01/304357201.db2.gz LRRGXATXLLWWKV-MRXNPFEDSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000416969943 304357543 /nfs/dbraw/zinc/35/75/43/304357543.db2.gz MEMOYTGWDVIDLN-WBVHZDCISA-N 2 0 348.491 1.814 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416985705 304361901 /nfs/dbraw/zinc/36/19/01/304361901.db2.gz YYPWBNABWIBVRP-HDICACEKSA-N 2 0 342.487 1.554 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[NH2+][C@H](C)C2)cc1 ZINC000416986275 304361909 /nfs/dbraw/zinc/36/19/09/304361909.db2.gz IYXFSGRGTDOQFF-MRXNPFEDSA-N 2 0 348.491 1.911 20 0 EDADRP CN(C)[C@H](CNC(=O)N1CCN(Cc2ncc[nH]2)CC1)c1ccco1 ZINC000355530770 150304565 /nfs/dbraw/zinc/30/45/65/150304565.db2.gz VNFJBGYUHFRCEL-CQSZACIVSA-N 2 0 346.435 1.133 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000355553665 150312350 /nfs/dbraw/zinc/31/23/50/150312350.db2.gz LLADVSDMVGJOFH-QRVBRYPASA-N 2 0 347.503 1.905 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000417041469 304365059 /nfs/dbraw/zinc/36/50/59/304365059.db2.gz PPHAXJZRWBEODC-IRXDYDNUSA-N 2 0 332.448 1.063 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000417068631 304368996 /nfs/dbraw/zinc/36/89/96/304368996.db2.gz NQFMMXQAXXBZAQ-AWEZNQCLSA-N 2 0 326.391 1.545 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000358092151 151267117 /nfs/dbraw/zinc/26/71/17/151267117.db2.gz GNNVNNJLCZMTGI-HOTGVXAUSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000358476725 151389768 /nfs/dbraw/zinc/38/97/68/151389768.db2.gz YEOICHIEYOTCAH-KRWDZBQOSA-N 2 0 348.491 1.872 20 0 EDADRP COC1(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)CCCCC1 ZINC000359715192 151798138 /nfs/dbraw/zinc/79/81/38/151798138.db2.gz KQDSOHMUZFSLDR-UHFFFAOYSA-N 2 0 327.513 1.315 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCCC[NH+]2CCCCC2)CCSC1 ZINC000360384344 152015028 /nfs/dbraw/zinc/01/50/28/152015028.db2.gz LWLPKROZTVRQDI-INIZCTEOSA-N 2 0 328.526 1.599 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360406600 152024893 /nfs/dbraw/zinc/02/48/93/152024893.db2.gz OCHQALVBUOPJQJ-YESZJQIVSA-N 2 0 338.496 1.080 20 0 EDADRP Cc1ccsc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000360626371 152129036 /nfs/dbraw/zinc/12/90/36/152129036.db2.gz FWVMENNJNUAHIM-UHFFFAOYSA-N 2 0 347.550 1.951 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360670907 152146365 /nfs/dbraw/zinc/14/63/65/152146365.db2.gz ZXZHAHBXXMFEDZ-RDJZCZTQSA-N 2 0 342.553 1.843 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360747419 152183022 /nfs/dbraw/zinc/18/30/22/152183022.db2.gz SDTFWCCAYGGKOW-KRWDZBQOSA-N 2 0 342.553 1.797 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000360782258 152202645 /nfs/dbraw/zinc/20/26/45/152202645.db2.gz CCPOJSYVWBXGMT-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP COc1ccc(C)cc1CC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000360896372 152244636 /nfs/dbraw/zinc/24/46/36/152244636.db2.gz GDVFSUDJPGMNRD-UHFFFAOYSA-N 2 0 333.476 1.688 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000361000596 152275587 /nfs/dbraw/zinc/27/55/87/152275587.db2.gz YYRSFSSKUFZXMD-BHIYHBOVSA-N 2 0 342.487 1.013 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000574053400 306642069 /nfs/dbraw/zinc/64/20/69/306642069.db2.gz OJPKHBRFGXLZKE-UHFFFAOYSA-N 2 0 344.459 1.593 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCN2CCCOCC2)CC1 ZINC000361309132 152358554 /nfs/dbraw/zinc/35/85/54/152358554.db2.gz NNWCKHXCRHCMQF-UHFFFAOYSA-N 2 0 327.513 1.532 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCN3CCCOCC3)CC2)CC1 ZINC000361339396 152365408 /nfs/dbraw/zinc/36/54/08/152365408.db2.gz MMPBEBQWOMNIPQ-UHFFFAOYSA-N 2 0 338.540 1.058 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000574150417 306643371 /nfs/dbraw/zinc/64/33/71/306643371.db2.gz BALDVDNPXRDNLQ-WOJBJXKFSA-N 2 0 333.520 1.842 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362563787 152744603 /nfs/dbraw/zinc/74/46/03/152744603.db2.gz CQOVJZBMTHOBDT-OWCLPIDISA-N 2 0 347.507 1.975 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[NH+](CCCOC)CC1)C1CC1 ZINC000363558891 153000666 /nfs/dbraw/zinc/00/06/66/153000666.db2.gz WDEXCUYLJAIIQD-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1nnc(C2CC2)n1C ZINC000363707388 153035192 /nfs/dbraw/zinc/03/51/92/153035192.db2.gz QIVCYQIRILQUKE-KBMXLJTQSA-N 2 0 333.480 1.672 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000417186095 304382013 /nfs/dbraw/zinc/38/20/13/304382013.db2.gz WGHNAOMAQLSWTC-SJORKVTESA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417192794 304382933 /nfs/dbraw/zinc/38/29/33/304382933.db2.gz KWAJUUAVKRNGKD-ROUUACIJSA-N 2 0 332.492 1.848 20 0 EDADRP COc1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000364638384 153290993 /nfs/dbraw/zinc/29/09/93/153290993.db2.gz FVCMFSZFIUVZEY-UHFFFAOYSA-N 2 0 332.492 1.940 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000574382153 306649363 /nfs/dbraw/zinc/64/93/63/306649363.db2.gz PHGROXBDOYWGBT-RDJZCZTQSA-N 2 0 345.491 1.948 20 0 EDADRP COC(=O)[C@H](C)C[NH+]1CCN(Cc2c(C)nc3n2CCCC3)CC1 ZINC000367564157 154176951 /nfs/dbraw/zinc/17/69/51/154176951.db2.gz HKOFXDNRHRUYOV-CQSZACIVSA-N 2 0 334.464 1.455 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367579235 154183280 /nfs/dbraw/zinc/18/32/80/154183280.db2.gz YXHQZMYERPHUSA-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000367695601 154233700 /nfs/dbraw/zinc/23/37/00/154233700.db2.gz AZWWPXMGHHRVHQ-SFYZZRBRSA-N 2 0 337.508 1.757 20 0 EDADRP CN(c1ccccc1C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1)C1CC[NH+](C)CC1 ZINC000367780069 154267010 /nfs/dbraw/zinc/26/70/10/154267010.db2.gz PDGQZZSVSJLHCA-BWTSREIZSA-N 2 0 329.488 1.887 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000367984090 154355733 /nfs/dbraw/zinc/35/57/33/154355733.db2.gz TWTSMGJLIYCDKI-OIISXLGYSA-N 2 0 347.459 1.294 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417340893 304392791 /nfs/dbraw/zinc/39/27/91/304392791.db2.gz NHXRNWCSULFGMW-RVKKMQEKSA-N 2 0 330.476 1.730 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N1CCC[NH2+]CC1 ZINC000417357389 304394452 /nfs/dbraw/zinc/39/44/52/304394452.db2.gz DEXYJNWYFCJOND-OAHLLOKOSA-N 2 0 336.505 1.965 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000417382950 304395706 /nfs/dbraw/zinc/39/57/06/304395706.db2.gz ONKUOJQUYZURDY-INIZCTEOSA-N 2 0 336.505 1.997 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000417380751 304395789 /nfs/dbraw/zinc/39/57/89/304395789.db2.gz LCXMHRKYDFSMQC-AWEZNQCLSA-N 2 0 336.505 1.963 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369567594 155091948 /nfs/dbraw/zinc/09/19/48/155091948.db2.gz UBRGRMDUIOFLKB-PMPSAXMXSA-N 2 0 331.464 1.506 20 0 EDADRP COCCN1CCN(C(=O)[C@H]2CCc3[nH]c(C(C)C)nc3C2)C[C@@H]1C ZINC000369637995 155118508 /nfs/dbraw/zinc/11/85/08/155118508.db2.gz KNAZAAHWBDCADZ-GJZGRUSLSA-N 2 0 348.491 1.817 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417448008 304396731 /nfs/dbraw/zinc/39/67/31/304396731.db2.gz SMSPQJQIBWTKJH-BMFZPTHFSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417481418 304399285 /nfs/dbraw/zinc/39/92/85/304399285.db2.gz NXGSOIISWHYEDQ-OAHLLOKOSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417477471 304399015 /nfs/dbraw/zinc/39/90/15/304399015.db2.gz GSZVMRGWJAVSPX-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000574919262 306660207 /nfs/dbraw/zinc/66/02/07/306660207.db2.gz STVUCEDBLCWYJR-GOOCMWNKSA-N 2 0 345.443 1.510 20 0 EDADRP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000372065807 156231005 /nfs/dbraw/zinc/23/10/05/156231005.db2.gz IIGDKUDKIRORSB-AYOQOUSVSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000372420698 156380739 /nfs/dbraw/zinc/38/07/39/156380739.db2.gz NCRZACSKUUKGLF-JFIYKMOQSA-N 2 0 337.508 1.819 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000417529242 304403617 /nfs/dbraw/zinc/40/36/17/304403617.db2.gz QMPZNNUAJFKOBM-IBGZPJMESA-N 2 0 348.491 1.550 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC000369660997 292352190 /nfs/dbraw/zinc/35/21/90/292352190.db2.gz NSUCRONZFTUGFT-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP COCCCNC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299360 157232569 /nfs/dbraw/zinc/23/25/69/157232569.db2.gz YBMZYPXBAOXDKB-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@]3(CCO[C@H]3C)C2)CC1 ZINC000376610914 157804653 /nfs/dbraw/zinc/80/46/53/157804653.db2.gz OOHNWSUUXNIYKA-CEXWTWQISA-N 2 0 339.524 1.671 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000377531316 157945217 /nfs/dbraw/zinc/94/52/17/157945217.db2.gz VKGHSYJLCWQTAJ-CZUORRHYSA-N 2 0 332.448 1.903 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-n2cncn2)cc1 ZINC000378371602 158155035 /nfs/dbraw/zinc/15/50/35/158155035.db2.gz PMELGPLHBDSILY-QRVBRYPASA-N 2 0 341.459 1.951 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000352148411 162012807 /nfs/dbraw/zinc/01/28/07/162012807.db2.gz LIDLKSBFMICCQT-OALUTQOASA-N 2 0 342.487 1.015 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000352214167 162055503 /nfs/dbraw/zinc/05/55/03/162055503.db2.gz NJJTYGOXTGHQDQ-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000352284917 162094424 /nfs/dbraw/zinc/09/44/24/162094424.db2.gz QKIYLFYMWHPIDT-UHFFFAOYSA-N 2 0 345.553 1.854 20 0 EDADRP C[NH+](C[C@@H](O)CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000352365283 162142690 /nfs/dbraw/zinc/14/26/90/162142690.db2.gz PVDLFSSGKKIVFL-IEBWSBKVSA-N 2 0 332.492 1.290 20 0 EDADRP CCCC[C@@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000352397775 162161481 /nfs/dbraw/zinc/16/14/81/162161481.db2.gz LTUYLFMXEYVTBG-SJORKVTESA-N 2 0 327.513 1.970 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352435741 162180082 /nfs/dbraw/zinc/18/00/82/162180082.db2.gz SUEUOPWTANWLGH-AWEZNQCLSA-N 2 0 329.439 1.511 20 0 EDADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1cc(F)cc(F)c1 ZINC000352503917 162217953 /nfs/dbraw/zinc/21/79/53/162217953.db2.gz LKNFNGANEQXRNR-MRXNPFEDSA-N 2 0 338.402 1.273 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366558626 162394088 /nfs/dbraw/zinc/39/40/88/162394088.db2.gz WJZOTEGLBOLVLX-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417994722 304443267 /nfs/dbraw/zinc/44/32/67/304443267.db2.gz AAAFXWOFHJAEOA-OWCLPIDISA-N 2 0 326.485 1.032 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422865544 298645801 /nfs/dbraw/zinc/64/58/01/298645801.db2.gz YLRFNCQGBKAJEV-SUMDDJOVSA-N 2 0 331.460 1.553 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336878616 287085919 /nfs/dbraw/zinc/08/59/19/287085919.db2.gz GZNCJJXAGWBPCH-GFCCVEGCSA-N 2 0 348.413 1.964 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC[NH2+]1 ZINC000418190428 304463020 /nfs/dbraw/zinc/46/30/20/304463020.db2.gz JBZAGZJISHFDFX-ZBFHGGJFSA-N 2 0 349.479 1.352 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074493809 287271179 /nfs/dbraw/zinc/27/11/79/287271179.db2.gz LNRSLFYSKBNRSU-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000078334638 287292196 /nfs/dbraw/zinc/29/21/96/287292196.db2.gz DFIYIQOJWMHQKA-UHFFFAOYSA-N 2 0 347.550 1.951 20 0 EDADRP CN(C)C(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000121402256 287370786 /nfs/dbraw/zinc/37/07/86/287370786.db2.gz RRCWHKQARURWGY-UHFFFAOYSA-N 2 0 349.479 1.346 20 0 EDADRP COCOc1ccc(OC)cc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000163462288 225974950 /nfs/dbraw/zinc/97/49/50/225974950.db2.gz ZOPKWBDBDKWQJE-UHFFFAOYSA-N 2 0 337.464 1.405 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000418379411 304488414 /nfs/dbraw/zinc/48/84/14/304488414.db2.gz JCFMHMUJIGVOJN-OIISXLGYSA-N 2 0 334.439 1.570 20 0 EDADRP C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000122086489 222011551 /nfs/dbraw/zinc/01/15/51/222011551.db2.gz VULUVTLVRHSPLI-MTSZKFMLSA-N 2 0 325.497 1.863 20 0 EDADRP Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000130606145 287495929 /nfs/dbraw/zinc/49/59/29/287495929.db2.gz KKHRCPNNIRVCHB-UHFFFAOYSA-N 2 0 334.464 1.194 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418409294 304492910 /nfs/dbraw/zinc/49/29/10/304492910.db2.gz HIJSHDNVCQBIFJ-GJZGRUSLSA-N 2 0 326.485 1.038 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130762118 287499158 /nfs/dbraw/zinc/49/91/58/287499158.db2.gz VDYKEIBJUJKHDS-HNNXBMFYSA-N 2 0 344.459 1.450 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418481650 304500959 /nfs/dbraw/zinc/50/09/59/304500959.db2.gz YHVZMTYEPKTWMS-HOTGVXAUSA-N 3 0 327.517 1.029 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000418484493 304501828 /nfs/dbraw/zinc/50/18/28/304501828.db2.gz ZZDFTVYKTIBPHP-PVAVHDDUSA-N 2 0 334.464 1.725 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274381063 268132244 /nfs/dbraw/zinc/13/22/44/268132244.db2.gz AVWWUSXSAVXSML-AWEZNQCLSA-N 2 0 327.428 1.913 20 0 EDADRP CC(C)[C@H](CCO)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274584832 268164083 /nfs/dbraw/zinc/16/40/83/268164083.db2.gz GAZGONCUSKCNTG-UHOSZYNNSA-N 2 0 347.503 1.762 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273062203 273026740 /nfs/dbraw/zinc/02/67/40/273026740.db2.gz JEKLJSRRPDOVCJ-IEBWSBKVSA-N 2 0 345.487 1.688 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000275445676 268343938 /nfs/dbraw/zinc/34/39/38/268343938.db2.gz KXFQLNOSVCXHAN-AWEZNQCLSA-N 2 0 346.475 1.328 20 0 EDADRP C[NH+](C)CCCNC(=O)c1cnn(CC[NH+](C)C)c1-c1ccccc1 ZINC000277518868 273203648 /nfs/dbraw/zinc/20/36/48/273203648.db2.gz QPARCVIVNQWWCQ-UHFFFAOYSA-N 2 0 343.475 1.793 20 0 EDADRP Cc1nc(F)ccc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000278347254 273260600 /nfs/dbraw/zinc/26/06/00/273260600.db2.gz HXCVURNZPIOYEG-UHFFFAOYSA-N 2 0 329.423 1.966 20 0 EDADRP Cc1nc(F)ccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000278373714 273262647 /nfs/dbraw/zinc/26/26/47/273262647.db2.gz KRCBZWDWISIHQQ-UHFFFAOYSA-N 2 0 329.423 1.966 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000278554559 273265689 /nfs/dbraw/zinc/26/56/89/273265689.db2.gz ZRLWXSHRZJQMPY-CQSZACIVSA-N 2 0 333.432 1.229 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279118716 273280940 /nfs/dbraw/zinc/28/09/40/273280940.db2.gz WVGHMOXODWNKEI-GOSISDBHSA-N 2 0 328.460 1.789 20 0 EDADRP C[C@H](CO)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1CCC1 ZINC000280630184 273379763 /nfs/dbraw/zinc/37/97/63/273379763.db2.gz XILYUPADAXBJNA-VQIMIIECSA-N 2 0 347.503 1.888 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284287813 274147429 /nfs/dbraw/zinc/14/74/29/274147429.db2.gz XSFVPLSZFOFRJT-UHFFFAOYSA-N 2 0 348.491 1.213 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417408556 276075463 /nfs/dbraw/zinc/07/54/63/276075463.db2.gz UMVCYYROLWHDPH-ZWKOTPCHSA-N 2 0 330.476 1.889 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873859 276196658 /nfs/dbraw/zinc/19/66/58/276196658.db2.gz MWLMYWFSKALARB-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](CO)[C@H]2CCOC2)CC1 ZINC000360771077 276203634 /nfs/dbraw/zinc/20/36/34/276203634.db2.gz HEIRHUXPMHJOCE-RBUKOAKNSA-N 2 0 347.503 1.563 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N(C)C)cn1 ZINC000444160546 276378030 /nfs/dbraw/zinc/37/80/30/276378030.db2.gz ZDHHTPMIFGLHAJ-KRWDZBQOSA-N 2 0 347.507 1.636 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000249816937 277105462 /nfs/dbraw/zinc/10/54/62/277105462.db2.gz CMACAZNHMLGOET-RBUKOAKNSA-N 2 0 344.503 1.481 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000418686944 277140707 /nfs/dbraw/zinc/14/07/07/277140707.db2.gz QDVZYSNAKRMMMI-XMTFNYHQSA-N 2 0 328.460 1.478 20 0 EDADRP COCC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000375663872 277197657 /nfs/dbraw/zinc/19/76/57/277197657.db2.gz LDJUZHUYZJXLDW-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000076307177 277759209 /nfs/dbraw/zinc/75/92/09/277759209.db2.gz MLKFURJFEJFODX-DOTOQJQBSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H](C)O1 ZINC000357171666 277888750 /nfs/dbraw/zinc/88/87/50/277888750.db2.gz HBCHCMCVYKVQPV-VXNCWWDNSA-N 2 0 337.508 1.772 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000158089830 279029758 /nfs/dbraw/zinc/02/97/58/279029758.db2.gz YSPUZFANHZFHCH-HNNXBMFYSA-N 2 0 333.480 1.858 20 0 EDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496920231 279034091 /nfs/dbraw/zinc/03/40/91/279034091.db2.gz BMURTXDMDUICNK-UONOGXRCSA-N 2 0 329.485 1.677 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000078588031 279144209 /nfs/dbraw/zinc/14/42/09/279144209.db2.gz FMWDZPSZVKQPCH-HOTGVXAUSA-N 2 0 328.501 1.373 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000187360835 279208430 /nfs/dbraw/zinc/20/84/30/279208430.db2.gz GMQDMLQGOBFAIQ-FUHWJXTLSA-N 2 0 348.491 1.263 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000339704500 279259541 /nfs/dbraw/zinc/25/95/41/279259541.db2.gz WUPZQTFDPWOKNT-GOSISDBHSA-N 2 0 325.497 1.317 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000361622348 279266501 /nfs/dbraw/zinc/26/65/01/279266501.db2.gz KKIZVOXGXJAIJF-OAGGEKHMSA-N 2 0 325.522 1.899 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000341994223 279268713 /nfs/dbraw/zinc/26/87/13/279268713.db2.gz LHOXBVBHBBXMPZ-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387441 288119609 /nfs/dbraw/zinc/11/96/09/288119609.db2.gz OHRUASSEGWOEQU-XTPZXTEVSA-N 2 0 346.519 1.922 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](C3CCOCC3)CC2)C1 ZINC000361018956 279318578 /nfs/dbraw/zinc/31/85/78/279318578.db2.gz QGTAGNUUXNMADQ-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CCOC(=O)C1(C)CCC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000354327040 279525646 /nfs/dbraw/zinc/52/56/46/279525646.db2.gz FRTODDKPJPOWDS-HJOIGYKYSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370595920 288151310 /nfs/dbraw/zinc/15/13/10/288151310.db2.gz AUWASVYPQLOVEN-CALCHBBNSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C[C@@H](C)O1 ZINC000370296717 288159434 /nfs/dbraw/zinc/15/94/34/288159434.db2.gz DJJQKRPFTSZNKC-BRSBDYLESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418123502 288163426 /nfs/dbraw/zinc/16/34/26/288163426.db2.gz ZCSWUGHBULKXAW-OAGGEKHMSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000287167443 288171393 /nfs/dbraw/zinc/17/13/93/288171393.db2.gz OTXFIFLQKFIXEJ-KRWDZBQOSA-N 2 0 347.507 1.054 20 0 EDADRP CCS(=O)(=O)N(C)CCC[NH2+][C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422862506 280008744 /nfs/dbraw/zinc/00/87/44/280008744.db2.gz PUCPJJRFHGZQRK-ZBFHGGJFSA-N 2 0 327.494 1.206 20 0 EDADRP Cc1ccc2c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1 ZINC000261749932 281045710 /nfs/dbraw/zinc/04/57/10/281045710.db2.gz URDGTBYGOHKCHQ-MRXNPFEDSA-N 2 0 327.428 1.581 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661623 288308081 /nfs/dbraw/zinc/30/80/81/288308081.db2.gz LPRFVTSUGVLJMV-CPFNUKBASA-N 2 0 349.523 1.081 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000290176284 288852725 /nfs/dbraw/zinc/85/27/25/288852725.db2.gz PGFHEHSDDUCMJZ-OALUTQOASA-N 2 0 345.487 1.648 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)[NH+](C)C ZINC000290579313 288919684 /nfs/dbraw/zinc/91/96/84/288919684.db2.gz HLQHVQXIQVQTTR-KRWDZBQOSA-N 2 0 336.480 1.615 20 0 EDADRP c1nnn(Cc2ccccc2)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000291950806 289223969 /nfs/dbraw/zinc/22/39/69/289223969.db2.gz OFLPQMKNGRUADR-UHFFFAOYSA-N 2 0 329.448 1.528 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422865545 289619532 /nfs/dbraw/zinc/61/95/32/289619532.db2.gz YLRFNCQGBKAJEV-SZVBFZGTSA-N 2 0 331.460 1.553 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000375400135 290282557 /nfs/dbraw/zinc/28/25/57/290282557.db2.gz LHHSIADRNIVCNY-KURKYZTESA-N 2 0 343.471 1.503 20 0 EDADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000367199482 294245724 /nfs/dbraw/zinc/24/57/24/294245724.db2.gz KLYDDRQPPJYDHD-QGZVFWFLSA-N 2 0 345.491 1.723 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332543234 295266471 /nfs/dbraw/zinc/26/64/71/295266471.db2.gz YJQGZASSCOOBCX-SJORKVTESA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000249128265 297274143 /nfs/dbraw/zinc/27/41/43/297274143.db2.gz RKOGLKVAEGZFGK-RBSFLKMASA-N 2 0 338.496 1.098 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418659836 304527184 /nfs/dbraw/zinc/52/71/84/304527184.db2.gz XYDHIPLHDVPYNN-UONOGXRCSA-N 2 0 326.391 1.545 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000418861850 304540931 /nfs/dbraw/zinc/54/09/31/304540931.db2.gz NQVDAWBMKMYOGN-IRXDYDNUSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419291746 304587280 /nfs/dbraw/zinc/58/72/80/304587280.db2.gz XCEQLWSYNHGRNX-HNNXBMFYSA-N 2 0 346.475 1.142 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000419670996 304656429 /nfs/dbraw/zinc/65/64/29/304656429.db2.gz XZXMVWJABOBPAN-QGZVFWFLSA-N 2 0 348.491 1.428 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418112873 300321132 /nfs/dbraw/zinc/32/11/32/300321132.db2.gz ZGXMFHAFPDSCDM-XGNXJENSSA-N 2 0 348.413 1.795 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419716894 304669723 /nfs/dbraw/zinc/66/97/23/304669723.db2.gz SFSKENCJFZXOOO-HZPDHXFCSA-N 2 0 340.512 1.199 20 0 EDADRP COc1cc(CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000420319846 304751432 /nfs/dbraw/zinc/75/14/32/304751432.db2.gz PRSLFYUXBUXGAS-MRXNPFEDSA-N 2 0 333.476 1.821 20 0 EDADRP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753372 447322686 /nfs/dbraw/zinc/32/26/86/447322686.db2.gz MEMHTEHHHUVSIY-OAGGEKHMSA-N 2 0 339.480 1.285 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)[N@H+]1C ZINC000293867038 303031062 /nfs/dbraw/zinc/03/10/62/303031062.db2.gz BPAQSEWDPKBIDF-CALCHBBNSA-N 2 0 345.491 1.145 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000419658741 447327154 /nfs/dbraw/zinc/32/71/54/447327154.db2.gz YTZSXSUDNGLEAS-HUUCEWRRSA-N 2 0 348.491 1.204 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843645 303274912 /nfs/dbraw/zinc/27/49/12/303274912.db2.gz WARSACJDYGPOQC-AWEZNQCLSA-N 2 0 333.480 1.939 20 0 EDADRP COCCOC[C@@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000296031162 303290561 /nfs/dbraw/zinc/29/05/61/303290561.db2.gz PCVZDJPJJZKEEO-OTWHNJEPSA-N 2 0 334.460 1.074 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000296335661 303310491 /nfs/dbraw/zinc/31/04/91/303310491.db2.gz IBLPGNADIVWBAZ-LPHOPBHVSA-N 2 0 344.503 1.622 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C[C@@H]12 ZINC000333135610 303473834 /nfs/dbraw/zinc/47/38/34/303473834.db2.gz BOAPXYHACXKSBV-LZPXSOQUSA-N 2 0 332.492 1.519 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1nccs1 ZINC000299441665 303619633 /nfs/dbraw/zinc/61/96/33/303619633.db2.gz XUVXVRBAYIJKKW-UHFFFAOYSA-N 2 0 326.510 1.808 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353236232 303816023 /nfs/dbraw/zinc/81/60/23/303816023.db2.gz IVYOZWSSAGJDIP-XJKSGUPXSA-N 2 0 340.512 1.103 20 0 EDADRP CO[C@]1(C)C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795912 303915338 /nfs/dbraw/zinc/91/53/38/303915338.db2.gz KBIYJSHXSDPVTH-CRAIPNDOSA-N 2 0 325.497 1.769 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000422596199 304873556 /nfs/dbraw/zinc/87/35/56/304873556.db2.gz YAFUDMBLYIAWLX-HNNXBMFYSA-N 2 0 332.448 1.954 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423333969 304892941 /nfs/dbraw/zinc/89/29/41/304892941.db2.gz RZQZHHHBDLNWSU-LSDHHAIUSA-N 2 0 335.496 1.593 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000423426243 304895513 /nfs/dbraw/zinc/89/55/13/304895513.db2.gz HMFXCGLCLKGJNG-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423692039 304904543 /nfs/dbraw/zinc/90/45/43/304904543.db2.gz BTXDZQYSZJPZHI-AWEZNQCLSA-N 2 0 340.512 1.151 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000423732029 304906791 /nfs/dbraw/zinc/90/67/91/304906791.db2.gz SESMYCJRGSJGIO-KBXIAJHMSA-N 2 0 325.453 1.131 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424078863 304927983 /nfs/dbraw/zinc/92/79/83/304927983.db2.gz QLGKUVMUBWECSS-SWLSCSKDSA-N 2 0 328.420 1.152 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[C@H]1CC[NH2+]C1 ZINC000429106952 305023879 /nfs/dbraw/zinc/02/38/79/305023879.db2.gz NVFWWGPAYRPTIG-GOSISDBHSA-N 2 0 344.503 1.705 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429541882 305031650 /nfs/dbraw/zinc/03/16/50/305031650.db2.gz PPOZUTRLJGEUDS-MSOLQXFVSA-N 2 0 336.476 1.989 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCc2c(F)cccc2Cl)C1 ZINC000430610976 305058830 /nfs/dbraw/zinc/05/88/30/305058830.db2.gz MXBVHLDRGBVKDP-LBPRGKRZSA-N 2 0 327.831 1.809 20 0 EDADRP COc1cc2c(cc1OC)CN(C(=O)C[NH+]1CCC(C[NH3+])CC1)CC2 ZINC000430636913 305060540 /nfs/dbraw/zinc/06/05/40/305060540.db2.gz ZUUJEXFGGPHELC-UHFFFAOYSA-N 2 0 347.459 1.259 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430706812 305063139 /nfs/dbraw/zinc/06/31/39/305063139.db2.gz OAVPVZLRTCAGEI-KRWDZBQOSA-N 2 0 331.460 1.920 20 0 EDADRP [NH3+]CC1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCC1 ZINC000430896531 305067152 /nfs/dbraw/zinc/06/71/52/305067152.db2.gz YOGKLTVTHCYSKS-UHFFFAOYSA-N 2 0 345.487 1.779 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430917178 305067912 /nfs/dbraw/zinc/06/79/12/305067912.db2.gz XTZYCIOMPZLUNP-KRWDZBQOSA-N 2 0 346.475 1.492 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@@H]1[NH3+] ZINC000430921254 305068163 /nfs/dbraw/zinc/06/81/63/305068163.db2.gz SDPXSPATECNVFU-YGRLFVJLSA-N 2 0 338.839 1.437 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@H]1[NH3+] ZINC000430921252 305068201 /nfs/dbraw/zinc/06/82/01/305068201.db2.gz SDPXSPATECNVFU-IINYFYTJSA-N 2 0 338.839 1.437 20 0 EDADRP C[NH2+]CC1CC[NH+](CCCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000430943056 305069819 /nfs/dbraw/zinc/06/98/19/305069819.db2.gz FZBMFRKJWPMMMC-UHFFFAOYSA-N 2 0 329.444 1.994 20 0 EDADRP CCOCc1ccccc1CNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430953329 305070608 /nfs/dbraw/zinc/07/06/08/305070608.db2.gz SVDHAEAEALILDS-OAHLLOKOSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCCN(C)c2ccccc2)CC1 ZINC000430966236 305071534 /nfs/dbraw/zinc/07/15/34/305071534.db2.gz OFEMRDDSALTBTN-MRXNPFEDSA-N 2 0 332.492 1.688 20 0 EDADRP CC(C)[C@H](C)NC(=O)C1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431066959 305074200 /nfs/dbraw/zinc/07/42/00/305074200.db2.gz BOZQQBLAKISFEG-LBPRGKRZSA-N 2 0 337.468 1.636 20 0 EDADRP CC[NH+](CC)CCNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000431137141 305075854 /nfs/dbraw/zinc/07/58/54/305075854.db2.gz CPQPUKDOTHNZMU-UHFFFAOYSA-N 2 0 336.484 1.922 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000431158955 305076226 /nfs/dbraw/zinc/07/62/26/305076226.db2.gz FAYPWMABODDFIS-IAGOWNOFSA-N 2 0 329.444 1.555 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1CN(C)CCO1 ZINC000431989754 305085479 /nfs/dbraw/zinc/08/54/79/305085479.db2.gz DNXAUYYAHPOXNF-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433341308 305106199 /nfs/dbraw/zinc/10/61/99/305106199.db2.gz RVBBOKMBUPVZJE-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433376401 305106762 /nfs/dbraw/zinc/10/67/62/305106762.db2.gz NRWZROBTBOGMSE-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433412019 305108432 /nfs/dbraw/zinc/10/84/32/305108432.db2.gz POKZXSIUERKULO-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433454027 305109526 /nfs/dbraw/zinc/10/95/26/305109526.db2.gz MNDXHLHVUJVLFG-QGZVFWFLSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H]1C[C@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000433871481 305114189 /nfs/dbraw/zinc/11/41/89/305114189.db2.gz WVLWWZNDLOBUBG-GDBMZVCRSA-N 2 0 339.505 1.851 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434522043 305124040 /nfs/dbraw/zinc/12/40/40/305124040.db2.gz FHXSBHWHIMQMJN-QZTJIDSGSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000434678965 305127376 /nfs/dbraw/zinc/12/73/76/305127376.db2.gz ANSXFAKWZRVDCV-MRXNPFEDSA-N 2 0 348.491 1.403 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000435238045 305137689 /nfs/dbraw/zinc/13/76/89/305137689.db2.gz PIMMSOXQILMRQS-IBGZPJMESA-N 2 0 342.487 1.401 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000435376142 305139409 /nfs/dbraw/zinc/13/94/09/305139409.db2.gz PTBOXMITYFRCJE-UKRRQHHQSA-N 2 0 335.448 1.379 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]12 ZINC000435387239 305139502 /nfs/dbraw/zinc/13/95/02/305139502.db2.gz YPKAEEZDFUGMFO-CGTJXYLNSA-N 2 0 343.471 1.761 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000449084360 305306129 /nfs/dbraw/zinc/30/61/29/305306129.db2.gz GWGNJCIIVGMMED-UHFFFAOYSA-N 2 0 325.497 1.901 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCn2c(C)csc2=O)CC1 ZINC000451975845 305375497 /nfs/dbraw/zinc/37/54/97/305375497.db2.gz AAMFOMODKBSTLG-UHFFFAOYSA-N 2 0 326.510 1.224 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCCCC[NH+]2CCCC2)CCOCC1 ZINC000454556202 305430673 /nfs/dbraw/zinc/43/06/73/305430673.db2.gz YVYWJRHIBRBIAJ-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C(C)(C)C ZINC000458409970 447351285 /nfs/dbraw/zinc/35/12/85/447351285.db2.gz MSQZULGUQAXDCB-HOTGVXAUSA-N 2 0 342.528 1.499 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000491883176 305580292 /nfs/dbraw/zinc/58/02/92/305580292.db2.gz KOYGIUVUBYGKGD-SREVYHEPSA-N 2 0 325.522 1.972 20 0 EDADRP NC(=O)c1cccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425904485 447354534 /nfs/dbraw/zinc/35/45/34/447354534.db2.gz YULHJVWULOIYNK-UHFFFAOYSA-N 2 0 328.416 1.573 20 0 EDADRP CCO[C@@H]1C[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000514822814 305706466 /nfs/dbraw/zinc/70/64/66/305706466.db2.gz YPTOLHHEFUZHBY-DLBZAZTESA-N 2 0 347.463 1.070 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000518176483 305759544 /nfs/dbraw/zinc/75/95/44/305759544.db2.gz VPBDHQCRIDVMRU-MAUKXSAKSA-N 2 0 336.524 1.569 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000519402784 305768214 /nfs/dbraw/zinc/76/82/14/305768214.db2.gz AJNHZCJLXXFRHY-ZFWWWQNUSA-N 2 0 331.464 1.031 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000377799194 447362096 /nfs/dbraw/zinc/36/20/96/447362096.db2.gz RSSAJLHOJNCYKF-WBVHZDCISA-N 2 0 331.464 1.406 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCC1 ZINC000527072296 305839777 /nfs/dbraw/zinc/83/97/77/305839777.db2.gz PFZZMGLTAZFGAU-OAHLLOKOSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000529333627 305909890 /nfs/dbraw/zinc/90/98/90/305909890.db2.gz RHQKIAPFWONBQK-BHYGNILZSA-N 2 0 338.496 1.175 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000536553805 306022205 /nfs/dbraw/zinc/02/22/05/306022205.db2.gz JXFYSBFIQQZAOM-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP CN(CCC(=O)NCCCC[NH+]1CCN(C)CC1)c1cc[nH+]cc1 ZINC000540923503 306041644 /nfs/dbraw/zinc/04/16/44/306041644.db2.gz ANZARQZXOCXRAK-UHFFFAOYSA-N 2 0 333.480 1.052 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000414951434 447371208 /nfs/dbraw/zinc/37/12/08/447371208.db2.gz PUYAQMRFQLEYBA-HOTGVXAUSA-N 2 0 346.475 1.724 20 0 EDADRP Cc1ccc(CCC[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000414975033 447380574 /nfs/dbraw/zinc/38/05/74/447380574.db2.gz ODBALALERFGRML-HNNXBMFYSA-N 2 0 330.398 1.748 20 0 EDADRP CO[C@H]1C[C@H]([N@H+](C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000449634919 447380625 /nfs/dbraw/zinc/38/06/25/447380625.db2.gz SKUBZGYCYYQMHJ-IRXDYDNUSA-N 2 0 345.491 1.618 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000661234054 453768126 /nfs/dbraw/zinc/76/81/26/453768126.db2.gz DWTALAJFTZUJPR-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000422245690 447420721 /nfs/dbraw/zinc/42/07/21/447420721.db2.gz PSOLHDHFOMOZTJ-FHERZECASA-N 2 0 340.512 1.346 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390200 447433103 /nfs/dbraw/zinc/43/31/03/447433103.db2.gz IFDMCTCORLGCCM-ZWKOTPCHSA-N 2 0 334.508 1.242 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc2)CC1 ZINC000081397184 441263951 /nfs/dbraw/zinc/26/39/51/441263951.db2.gz FKOVCTYSHAKOQR-MRXNPFEDSA-N 2 0 332.492 1.899 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000073444636 441318425 /nfs/dbraw/zinc/31/84/25/441318425.db2.gz FYXGZHCKMZFFLS-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)(C)C[N@H+](CCCO)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000106934646 441392225 /nfs/dbraw/zinc/39/22/25/441392225.db2.gz CCHOLANYPPKMJW-UHFFFAOYSA-N 2 0 325.497 1.460 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000107388540 441414772 /nfs/dbraw/zinc/41/47/72/441414772.db2.gz RBYGZVRTXJGYGW-KRWDZBQOSA-N 2 0 347.507 1.887 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000074655347 441453073 /nfs/dbraw/zinc/45/30/73/441453073.db2.gz HNRMTJRYNKBQNL-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108567667 441465233 /nfs/dbraw/zinc/46/52/33/441465233.db2.gz YUUILNDQDCJYFZ-INIZCTEOSA-N 2 0 348.491 1.768 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000112916946 441567305 /nfs/dbraw/zinc/56/73/05/441567305.db2.gz DBIOMDAWLDHHKK-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1C ZINC000091040556 441652317 /nfs/dbraw/zinc/65/23/17/441652317.db2.gz PIKASSNYGWYXLU-UHFFFAOYSA-N 2 0 333.523 1.479 20 0 EDADRP COC(=O)CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000114476082 441662347 /nfs/dbraw/zinc/66/23/47/441662347.db2.gz DZMGFKKEULPACL-UHFFFAOYSA-N 2 0 327.469 1.249 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000173398770 441733647 /nfs/dbraw/zinc/73/36/47/441733647.db2.gz VVZNPKLVCKGFTQ-GDBMZVCRSA-N 2 0 326.485 1.221 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000136973235 441736645 /nfs/dbraw/zinc/73/66/45/441736645.db2.gz VIQPPEGQLJFUOC-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000121704017 441761528 /nfs/dbraw/zinc/76/15/28/441761528.db2.gz BRXMUWDHPNJJES-QAETUUGQSA-N 2 0 335.492 1.511 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000137326589 441763485 /nfs/dbraw/zinc/76/34/85/441763485.db2.gz ZEJKEPDJMNPLPD-HNNXBMFYSA-N 2 0 334.464 1.436 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2csc(CC[NH3+])n2)cc1 ZINC000173663940 441819231 /nfs/dbraw/zinc/81/92/31/441819231.db2.gz WPAWAOJNTGJDNV-UHFFFAOYSA-N 2 0 334.445 1.837 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000077592911 441810762 /nfs/dbraw/zinc/81/07/62/441810762.db2.gz VWRIVWPLNCEOTM-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP CCC(C)(C)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949376 441867309 /nfs/dbraw/zinc/86/73/09/441867309.db2.gz YPTXWZVUCZVYTJ-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CCCCCNC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173959847 441870389 /nfs/dbraw/zinc/87/03/89/441870389.db2.gz ITGOLLHVFIIPBF-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP CC[N@@H+](Cc1nc(N)nc(N)n1)CC1CCN(c2ccccn2)CC1 ZINC000173971365 441872152 /nfs/dbraw/zinc/87/21/52/441872152.db2.gz KMEQWPYTOBCUJI-UHFFFAOYSA-N 2 0 342.451 1.170 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)no1 ZINC000174451283 441925155 /nfs/dbraw/zinc/92/51/55/441925155.db2.gz HKTBJPQDNSSFFG-OAHLLOKOSA-N 2 0 337.468 1.541 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174840503 441974167 /nfs/dbraw/zinc/97/41/67/441974167.db2.gz BCFBVPRGXQDMMW-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174713178 441955852 /nfs/dbraw/zinc/95/58/52/441955852.db2.gz WFKKJCUIQKTOFA-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000119867080 441967532 /nfs/dbraw/zinc/96/75/32/441967532.db2.gz ZIQJDTRXALQSDB-PKOBYXMFSA-N 2 0 348.491 1.435 20 0 EDADRP Cc1ccc(CN2CCOCC2)cc1NC(=O)[C@H]1CN(C)CCO1 ZINC000175076397 442001257 /nfs/dbraw/zinc/00/12/57/442001257.db2.gz DYGLSTKJBXOSHQ-QGZVFWFLSA-N 2 0 333.432 1.096 20 0 EDADRP FC(F)c1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000450294383 447444587 /nfs/dbraw/zinc/44/45/87/447444587.db2.gz NIFSBHKHALODST-UHFFFAOYSA-N 2 0 348.401 2.433 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000162149805 442069421 /nfs/dbraw/zinc/06/94/21/442069421.db2.gz BKLKUKBMPQMHGD-IBGZPJMESA-N 2 0 348.491 1.263 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000175796509 442124448 /nfs/dbraw/zinc/12/44/48/442124448.db2.gz QLWWGDWMOZXGIC-CALCHBBNSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000151824885 442125682 /nfs/dbraw/zinc/12/56/82/442125682.db2.gz FTDCOCFEMKEZEP-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000120636513 442108806 /nfs/dbraw/zinc/10/88/06/442108806.db2.gz DXWVWKKAYGARMN-RHSMWYFYSA-N 2 0 346.475 1.628 20 0 EDADRP Cc1cc(N2CCN(C(=O)C[NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000121150218 442183460 /nfs/dbraw/zinc/18/34/60/442183460.db2.gz RMINHIMLLTUJPG-UHFFFAOYSA-N 2 0 330.407 1.893 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000165947432 442212458 /nfs/dbraw/zinc/21/24/58/442212458.db2.gz BDCOPLCDERXOME-CQSZACIVSA-N 2 0 325.419 1.960 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000167251818 442219648 /nfs/dbraw/zinc/21/96/48/442219648.db2.gz MRWRLUPJSKWVJS-MSOLQXFVSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128509509 442270934 /nfs/dbraw/zinc/27/09/34/442270934.db2.gz BYPAFWFHBCAQBQ-SFHVURJKSA-N 2 0 338.540 1.785 20 0 EDADRP COC[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccn2)CC1)C1CC1 ZINC000128825881 442290337 /nfs/dbraw/zinc/29/03/37/442290337.db2.gz UGTFLGRLJKGFMO-MRXNPFEDSA-N 2 0 332.448 1.135 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000171174584 442322857 /nfs/dbraw/zinc/32/28/57/442322857.db2.gz KRQJCIGPNHGGLZ-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000171195891 442325649 /nfs/dbraw/zinc/32/56/49/442325649.db2.gz GBXJKWMIQUJUBC-KRWDZBQOSA-N 2 0 342.528 1.620 20 0 EDADRP C[NH+]1CCC(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000171645786 442366659 /nfs/dbraw/zinc/36/66/59/442366659.db2.gz XUCRYYFQEYSGRV-UHFFFAOYSA-N 2 0 345.491 1.687 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000133349084 442413577 /nfs/dbraw/zinc/41/35/77/442413577.db2.gz FAUUSFBIFVLPRL-KRWDZBQOSA-N 2 0 334.464 1.693 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCCn2ccnc2)C1 ZINC000178270574 442420623 /nfs/dbraw/zinc/42/06/23/442420623.db2.gz MNPHPLWWGHYDDY-INIZCTEOSA-N 2 0 337.468 1.271 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000155743823 442423692 /nfs/dbraw/zinc/42/36/92/442423692.db2.gz FBRSIYFHNPVUEB-IRXDYDNUSA-N 2 0 342.491 1.944 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000155830681 442430609 /nfs/dbraw/zinc/43/06/09/442430609.db2.gz DPROBOSUCZAJSJ-BRWVUGGUSA-N 2 0 340.512 1.467 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]([NH3+])c3ccccc3)ccn2)CC1 ZINC000178873316 442510091 /nfs/dbraw/zinc/51/00/91/442510091.db2.gz VQRBITJOIQRZFS-SFHVURJKSA-N 2 0 339.443 1.150 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000179026295 442554251 /nfs/dbraw/zinc/55/42/51/442554251.db2.gz PWKUSKJGTYBVMB-KRWDZBQOSA-N 2 0 344.503 1.899 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000157158755 442556002 /nfs/dbraw/zinc/55/60/02/442556002.db2.gz ORGJKSCDPMRVLI-INIZCTEOSA-N 2 0 330.476 1.524 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000178889117 442515245 /nfs/dbraw/zinc/51/52/45/442515245.db2.gz VFQNJMDEKMOWKD-BPUTZDHNSA-N 2 0 336.505 1.489 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000157391872 442578870 /nfs/dbraw/zinc/57/88/70/442578870.db2.gz DOYBWGJJJDKVQA-IYBDPMFKSA-N 2 0 328.501 1.467 20 0 EDADRP COCc1cccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000179233041 442602236 /nfs/dbraw/zinc/60/22/36/442602236.db2.gz STQCFMDDAQBGIP-SFHVURJKSA-N 2 0 331.460 1.571 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000192528250 442658467 /nfs/dbraw/zinc/65/84/67/442658467.db2.gz VRPRXMNVUKPDGH-LPHOPBHVSA-N 2 0 331.460 1.431 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000135554393 442611571 /nfs/dbraw/zinc/61/15/71/442611571.db2.gz MIPYXMQIHLUYCJ-MSOLQXFVSA-N 2 0 331.460 1.354 20 0 EDADRP COC(=O)[C@H]1CCCN(CCC[N@@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000157800251 442615227 /nfs/dbraw/zinc/61/52/27/442615227.db2.gz RHDNMPFXAPULKC-GJZGRUSLSA-N 2 0 326.437 1.147 20 0 EDADRP OCC[NH+]1CCC(CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187975595 442701458 /nfs/dbraw/zinc/70/14/58/442701458.db2.gz GPPXOKVOKAXSCW-QGZVFWFLSA-N 2 0 332.423 1.932 20 0 EDADRP C[NH+]1CCC(NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)CC1 ZINC000193138307 442716607 /nfs/dbraw/zinc/71/66/07/442716607.db2.gz UGEHVMNQSJAPFD-UHFFFAOYSA-N 2 0 334.464 1.980 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[NH2+]CCO1 ZINC000188204660 442723971 /nfs/dbraw/zinc/72/39/71/442723971.db2.gz VJJWCIQLJODOGP-HQSKLWIPSA-N 2 0 329.444 1.287 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000188116975 442713476 /nfs/dbraw/zinc/71/34/76/442713476.db2.gz UQNWLVFRBAGIAR-YJBOKZPZSA-N 2 0 325.497 1.757 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267904449 442783505 /nfs/dbraw/zinc/78/35/05/442783505.db2.gz ZSKYXSZAGRPGKK-GOSISDBHSA-N 2 0 349.450 1.879 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189006927 442860294 /nfs/dbraw/zinc/86/02/94/442860294.db2.gz GVNONDMOQZNLCT-CZUORRHYSA-N 2 0 325.403 1.868 20 0 EDADRP C[C@@H](CNC(=O)/C=C/C[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000265668454 442871253 /nfs/dbraw/zinc/87/12/53/442871253.db2.gz SQAOKVHLSXZBDZ-JEJOPICUSA-N 2 0 330.476 1.431 20 0 EDADRP C[C@@H](NC(=O)N(C)CCCN1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000183256098 442912428 /nfs/dbraw/zinc/91/24/28/442912428.db2.gz COQKEJHRIVKXAR-MRXNPFEDSA-N 2 0 341.544 1.242 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CCOCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748978 442924521 /nfs/dbraw/zinc/92/45/21/442924521.db2.gz GBDOCMFXDRYICI-TYTBLDAYSA-N 2 0 328.497 1.470 20 0 EDADRP O=C(c1ccccc1CN1CCOCC1)N1CCN(C2CC2)CC1 ZINC000265862169 442949755 /nfs/dbraw/zinc/94/97/55/442949755.db2.gz WWBDFFFXWHRLSA-UHFFFAOYSA-N 2 0 329.444 1.439 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)C1(C)C ZINC000249052309 442947047 /nfs/dbraw/zinc/94/70/47/442947047.db2.gz BLLQQYKJQCTATL-AFIMGQEJSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000268396265 442974611 /nfs/dbraw/zinc/97/46/11/442974611.db2.gz QXXVHMJYROGXEC-BPQIPLTHSA-N 2 0 330.476 1.852 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)nn1C ZINC000195118920 442983907 /nfs/dbraw/zinc/98/39/07/442983907.db2.gz COAORVXJSGNRRZ-OAHLLOKOSA-N 2 0 336.484 1.608 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc[nH]c(=O)c1 ZINC000268425849 442984571 /nfs/dbraw/zinc/98/45/71/442984571.db2.gz AGEOSOGPTQLGET-UHFFFAOYSA-N 2 0 341.415 1.124 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195125185 442984998 /nfs/dbraw/zinc/98/49/98/442984998.db2.gz OKMNGYBWBZRMLU-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000195128092 442986754 /nfs/dbraw/zinc/98/67/54/442986754.db2.gz MAAKSDVUSJKEDQ-WMZOPIPTSA-N 2 0 331.460 1.948 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249103049 442951493 /nfs/dbraw/zinc/95/14/93/442951493.db2.gz KLLSWFUAUYMFAT-LSDHHAIUSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCNS(C)(=O)=O ZINC000189959944 443038404 /nfs/dbraw/zinc/03/84/04/443038404.db2.gz CUBQEDHSPLIEGR-FKEKPDDDSA-N 2 0 339.505 1.282 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000190164133 443065789 /nfs/dbraw/zinc/06/57/89/443065789.db2.gz WZEMAJFIIRESED-UHFFFAOYSA-N 2 0 348.491 1.877 20 0 EDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905275 443142545 /nfs/dbraw/zinc/14/25/45/443142545.db2.gz LQAGSZIPAIWLDM-IIDMSEBBSA-N 2 0 333.476 1.897 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000268801638 443112896 /nfs/dbraw/zinc/11/28/96/443112896.db2.gz JLYWPIYPBVOCKQ-QUCCMNQESA-N 2 0 345.535 1.914 20 0 EDADRP O=C(C[NH2+]C1CC1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000238163214 443196440 /nfs/dbraw/zinc/19/64/40/443196440.db2.gz ZAMIIJZKBDUWJY-UHFFFAOYSA-N 2 0 330.476 1.457 20 0 EDADRP Cc1ccc([C@@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000266584504 443176339 /nfs/dbraw/zinc/17/63/39/443176339.db2.gz NBIXDYNDFXWYPA-SFHVURJKSA-N 2 0 333.476 1.418 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964008 443160981 /nfs/dbraw/zinc/16/09/81/443160981.db2.gz YASPCNNMSGRHTG-AEFFLSMTSA-N 2 0 334.508 1.523 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000262982764 443220295 /nfs/dbraw/zinc/22/02/95/443220295.db2.gz YYLKJFMHAGZQLP-CQSZACIVSA-N 2 0 325.478 1.440 20 0 EDADRP C[N@@H+]1CCCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266773155 443235841 /nfs/dbraw/zinc/23/58/41/443235841.db2.gz KKIGLNMJSSSKAS-SFHVURJKSA-N 2 0 331.460 1.442 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262734484 443208935 /nfs/dbraw/zinc/20/89/35/443208935.db2.gz CELYPPPZYSOQCQ-KFWWJZLASA-N 2 0 327.538 1.954 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262771298 443211931 /nfs/dbraw/zinc/21/19/31/443211931.db2.gz MJSOSYLZQWCDBZ-TWMKSMIVSA-N 2 0 347.507 1.904 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000269156622 443216302 /nfs/dbraw/zinc/21/63/02/443216302.db2.gz RYWTYSHQJYMZSR-UHFFFAOYSA-N 2 0 336.386 1.901 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000269247310 443249630 /nfs/dbraw/zinc/24/96/30/443249630.db2.gz FCADCBABZULJSI-FRFSOERESA-N 2 0 333.432 1.069 20 0 EDADRP CN(Cc1ccccc1)C1(C[NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC000387440091 319131460 /nfs/dbraw/zinc/13/14/60/319131460.db2.gz PJQOELXEGOOKJV-GOSISDBHSA-N 2 0 328.460 1.888 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000410807549 319160222 /nfs/dbraw/zinc/16/02/22/319160222.db2.gz IIGSJAFSUDAEIK-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000266812824 443252220 /nfs/dbraw/zinc/25/22/20/443252220.db2.gz HYSQIDSZHBPRSA-IBGZPJMESA-N 2 0 342.487 1.505 20 0 EDADRP CCO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411811119 319206684 /nfs/dbraw/zinc/20/66/84/319206684.db2.gz SJFJLUZNDJKRJA-IAGOWNOFSA-N 2 0 325.497 1.913 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000414669279 319338976 /nfs/dbraw/zinc/33/89/76/319338976.db2.gz ZOKVETDFKMDBOC-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(Cc3cccs3)CC2)C1 ZINC000414674726 319339712 /nfs/dbraw/zinc/33/97/12/319339712.db2.gz FBNXVZGSGCCUGE-HNNXBMFYSA-N 2 0 336.505 1.063 20 0 EDADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414691717 319343215 /nfs/dbraw/zinc/34/32/15/319343215.db2.gz AFWOYKMVXXVNMO-UHFFFAOYSA-N 2 0 344.459 1.119 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000414692282 319343484 /nfs/dbraw/zinc/34/34/84/319343484.db2.gz APZFFHUQIBOKSI-ZIAGYGMSSA-N 2 0 344.459 1.465 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415736785 319367982 /nfs/dbraw/zinc/36/79/82/319367982.db2.gz FYGURLYOQJYVEV-RHSMWYFYSA-N 2 0 344.459 1.559 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000415937325 319383896 /nfs/dbraw/zinc/38/38/96/319383896.db2.gz NCFGEBUZMTWZMQ-HNNXBMFYSA-N 2 0 332.448 1.974 20 0 EDADRP C[C@@]1(C(N)=O)CCCC[NH+]1CCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917498 443282819 /nfs/dbraw/zinc/28/28/19/443282819.db2.gz FBSNQAUHMMLDBQ-ROUUACIJSA-N 2 0 338.496 1.226 20 0 EDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000186037650 443301599 /nfs/dbraw/zinc/30/15/99/443301599.db2.gz UTGUAHRJJPQUPB-GOEBONIOSA-N 2 0 337.489 1.799 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418558304 319504729 /nfs/dbraw/zinc/50/47/29/319504729.db2.gz XIAZZQRIEQJXJB-UNEWFSDZSA-N 2 0 334.439 1.428 20 0 EDADRP COC[C@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccco2)CCC[NH2+]1 ZINC000418657757 319508928 /nfs/dbraw/zinc/50/89/28/319508928.db2.gz RTPCLYHEXCXVSR-QGZVFWFLSA-N 2 0 338.452 1.121 20 0 EDADRP C[C@@H]1C[N@H+](CC2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000191472686 443299024 /nfs/dbraw/zinc/29/90/24/443299024.db2.gz QKZBAXKSBISONN-OKZBNKHCSA-N 2 0 339.524 1.528 20 0 EDADRP CCC[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418902938 319530559 /nfs/dbraw/zinc/53/05/59/319530559.db2.gz AUYSRDKHJYPGTI-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)CC(C)C ZINC000419121387 319557760 /nfs/dbraw/zinc/55/77/60/319557760.db2.gz DMVLQEFMYZTCAJ-YJBOKZPZSA-N 2 0 340.512 1.056 20 0 EDADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000419124409 319558411 /nfs/dbraw/zinc/55/84/11/319558411.db2.gz ICVSGWGLEBMOOX-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)CC1 ZINC000264624667 443351896 /nfs/dbraw/zinc/35/18/96/443351896.db2.gz MFTPOJFKFYKEFX-AATRIKPKSA-N 2 0 330.476 1.880 20 0 EDADRP CC[NH+]1CCC(NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000267259865 443397365 /nfs/dbraw/zinc/39/73/65/443397365.db2.gz ZMFBNISQBPHNFO-UHFFFAOYSA-N 2 0 347.463 1.453 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(C)[C@H]1c1ccc(Cl)cc1 ZINC000423023136 319746726 /nfs/dbraw/zinc/74/67/26/319746726.db2.gz JCOCDPHSZNGZKG-ZOBUZTSGSA-N 2 0 339.867 1.955 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+]1C ZINC000264981755 443499159 /nfs/dbraw/zinc/49/91/59/443499159.db2.gz LNWKNWBKZGTZJA-ZWKOTPCHSA-N 2 0 330.476 1.989 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CN)C2CCCCC2)CC[NH2+]CC1 ZINC000423262437 319759876 /nfs/dbraw/zinc/75/98/76/319759876.db2.gz MPIIBGNQSASHPX-GOEBONIOSA-N 2 0 325.497 1.805 20 0 EDADRP CCn1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000265117777 443538905 /nfs/dbraw/zinc/53/89/05/443538905.db2.gz MTUISLONWVXAHE-UHFFFAOYSA-N 2 0 342.447 1.240 20 0 EDADRP C[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)N1CC[NH+](C)CC1 ZINC000265117872 443539128 /nfs/dbraw/zinc/53/91/28/443539128.db2.gz MVTOXEDJEGXNSM-KRWDZBQOSA-N 2 0 344.503 1.648 20 0 EDADRP C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000273997049 443590550 /nfs/dbraw/zinc/59/05/50/443590550.db2.gz KFQPQKYHOURSIK-BBWFWOEESA-N 2 0 347.503 1.762 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273142034 443549673 /nfs/dbraw/zinc/54/96/73/443549673.db2.gz WXXJTEDJNPCQFW-AOIWGVFYSA-N 2 0 345.487 1.734 20 0 EDADRP COc1cccc(O[C@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433155827 319972649 /nfs/dbraw/zinc/97/26/49/319972649.db2.gz ZISNWMBMMUTNLL-OAHLLOKOSA-N 2 0 349.475 1.782 20 0 EDADRP O=C(N1CCC([C@H]2CCC[NH2+]2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449370217 320185539 /nfs/dbraw/zinc/18/55/39/320185539.db2.gz XHVWFDSDQZTKSJ-UYAOXDASSA-N 2 0 327.472 1.908 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000449728003 320202308 /nfs/dbraw/zinc/20/23/08/320202308.db2.gz SPIYHHQDKPFAJO-IAGOWNOFSA-N 2 0 330.476 1.442 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000449745810 320203951 /nfs/dbraw/zinc/20/39/51/320203951.db2.gz OZBBCZBCTVZWIQ-UHFFFAOYSA-N 2 0 344.507 1.852 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[NH2+]C3(C)C)CC2)c1 ZINC000449750406 320204987 /nfs/dbraw/zinc/20/49/87/320204987.db2.gz IYXJHVQKABPIAX-GOSISDBHSA-N 2 0 344.503 1.764 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000452157851 320244911 /nfs/dbraw/zinc/24/49/11/320244911.db2.gz YKEMKPBZIPPVJB-HKUYNNGSSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C[C@@H]21 ZINC000453032140 320259736 /nfs/dbraw/zinc/25/97/36/320259736.db2.gz JDGJRGLIGFQFCO-MOPGFXCFSA-N 2 0 342.487 1.210 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000458777443 320341025 /nfs/dbraw/zinc/34/10/25/320341025.db2.gz AJIQXVNFNDZRHI-MRXNPFEDSA-N 2 0 341.544 1.430 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@H](c2ncc[nH]2)C1)C1CCCC1 ZINC000286381658 443701850 /nfs/dbraw/zinc/70/18/50/443701850.db2.gz NEGGTZYQMKRYBS-AWEZNQCLSA-N 2 0 347.463 1.106 20 0 EDADRP Cn1cncc1CCC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000276637707 443773437 /nfs/dbraw/zinc/77/34/37/443773437.db2.gz UNMUZNWAQCKHQK-GOSISDBHSA-N 2 0 342.443 1.236 20 0 EDADRP CC[NH+]1CCC(NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000298934656 443906778 /nfs/dbraw/zinc/90/67/78/443906778.db2.gz NRAVBWPZYJUFIS-GOSISDBHSA-N 2 0 332.492 1.943 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCn3cncc3C2)[C@H]1c1ccccc1 ZINC000293068908 443916896 /nfs/dbraw/zinc/91/68/96/443916896.db2.gz SATFFJUVWMQRDA-IAGOWNOFSA-N 2 0 325.416 1.854 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277298833 443955332 /nfs/dbraw/zinc/95/53/32/443955332.db2.gz JPPPTZQQAIALLQ-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000561110447 321032886 /nfs/dbraw/zinc/03/28/86/321032886.db2.gz BSIYQJBVFONVPS-QZTJIDSGSA-N 2 0 346.475 1.501 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000561125554 321034142 /nfs/dbraw/zinc/03/41/42/321034142.db2.gz FTPYWYYUQCBDLN-GOSISDBHSA-N 2 0 330.476 1.745 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000561180997 321035246 /nfs/dbraw/zinc/03/52/46/321035246.db2.gz KYSPJGUPOCNBSK-LSDHHAIUSA-N 2 0 331.464 1.456 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000561195462 321036151 /nfs/dbraw/zinc/03/61/51/321036151.db2.gz VGMRDHCGHRDSQQ-XABWRGDLSA-N 2 0 328.460 1.557 20 0 EDADRP C[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000562962643 321084587 /nfs/dbraw/zinc/08/45/87/321084587.db2.gz HEFOZAZKPDAYNM-CQSZACIVSA-N 2 0 335.473 1.797 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCN2CCC([NH+](C)C)CC2)nc1 ZINC000562990103 321085792 /nfs/dbraw/zinc/08/57/92/321085792.db2.gz DRIMGAORALUZHR-UHFFFAOYSA-N 2 0 333.480 1.334 20 0 EDADRP [NH3+]C1(CNC(=O)Cc2ccncc2)CC[NH+](Cc2ccccc2)CC1 ZINC000563961149 321118013 /nfs/dbraw/zinc/11/80/13/321118013.db2.gz YOKPUODFGQUYDU-UHFFFAOYSA-N 2 0 338.455 1.734 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000566115718 321217062 /nfs/dbraw/zinc/21/70/62/321217062.db2.gz FYPITDXJVVEKCM-MSOLQXFVSA-N 2 0 335.492 1.269 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000567120921 321241573 /nfs/dbraw/zinc/24/15/73/321241573.db2.gz SRUFWTOPALSMLO-MRXNPFEDSA-N 2 0 343.874 1.909 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567479522 321243494 /nfs/dbraw/zinc/24/34/94/321243494.db2.gz XKMQHQBAHUHPSC-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC1 ZINC000570938505 321365061 /nfs/dbraw/zinc/36/50/61/321365061.db2.gz GCAHUXUURLWUJF-GOSISDBHSA-N 2 0 338.496 1.272 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000294918652 444157673 /nfs/dbraw/zinc/15/76/73/444157673.db2.gz CLPOVZZDXAKNPI-GOSISDBHSA-N 2 0 333.476 1.954 20 0 EDADRP CN(CCC[N@H+](C)C[C@H](O)COc1ccccc1F)CC[NH+](C)C ZINC000289531842 444166063 /nfs/dbraw/zinc/16/60/63/444166063.db2.gz WEEZUCNFUDKXRY-INIZCTEOSA-N 2 0 341.471 1.381 20 0 EDADRP CC1CC[NH+](Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000574749659 321498800 /nfs/dbraw/zinc/49/88/00/321498800.db2.gz IUQIIDMYBRPXCV-UHFFFAOYSA-N 2 0 332.448 1.593 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000289562573 444172585 /nfs/dbraw/zinc/17/25/85/444172585.db2.gz CTTRRBBYNZCILB-FZKQIMNGSA-N 2 0 349.500 1.785 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccc(OC(F)F)cc2)CC1 ZINC000576339423 321558320 /nfs/dbraw/zinc/55/83/20/321558320.db2.gz OFGAQYSUBJBYSO-HNNXBMFYSA-N 2 0 343.418 1.028 20 0 EDADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000304409600 444249113 /nfs/dbraw/zinc/24/91/13/444249113.db2.gz UFWOKUMLGVAHDC-IEWDOMPSSA-N 2 0 339.524 1.404 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+]2CCCC2)cc1 ZINC000576927001 321607246 /nfs/dbraw/zinc/60/72/46/321607246.db2.gz PLORMMKSQJYFHS-XDNAFOTISA-N 2 0 344.459 1.349 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000289994696 444227966 /nfs/dbraw/zinc/22/79/66/444227966.db2.gz OZPIJXYDLOITQP-KURKYZTESA-N 2 0 331.460 1.392 20 0 EDADRP c1nc(N2CCOCC2)cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000302916910 444231695 /nfs/dbraw/zinc/23/16/95/444231695.db2.gz WKJAVWBPYJUZBM-MRXNPFEDSA-N 2 0 331.464 1.768 20 0 EDADRP COCCN(C)c1ccc(CNc2cnccc2-n2ccnn2)cn1 ZINC000290048363 444235388 /nfs/dbraw/zinc/23/53/88/444235388.db2.gz GGPQBUUOSMEPGX-UHFFFAOYSA-N 2 0 339.403 1.752 20 0 EDADRP CCC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000305720831 444275480 /nfs/dbraw/zinc/27/54/80/444275480.db2.gz PDNZQHWFFNTXDD-OKZBNKHCSA-N 2 0 333.476 1.468 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(F)(F)F ZINC000577827607 321685065 /nfs/dbraw/zinc/68/50/65/321685065.db2.gz HRVMDLKEMACCMZ-GFCCVEGCSA-N 2 0 326.407 1.710 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000305803672 444281342 /nfs/dbraw/zinc/28/13/42/444281342.db2.gz FPJSWWFEDQWJRX-UJJTZGENSA-N 2 0 325.497 1.015 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@H]1CCCCO1 ZINC000337816231 444421452 /nfs/dbraw/zinc/42/14/52/444421452.db2.gz QTZRFJXXCIMPPW-MRXNPFEDSA-N 2 0 349.541 1.091 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218583 444447662 /nfs/dbraw/zinc/44/76/62/444447662.db2.gz HOLWGAMIRJBXBX-CZUORRHYSA-N 2 0 343.468 1.376 20 0 EDADRP CCN(CC(=O)NC(C)C)C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000340638237 444467700 /nfs/dbraw/zinc/46/77/00/444467700.db2.gz NDDZDOLJDWSFBD-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP CC1(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000579570581 321948771 /nfs/dbraw/zinc/94/87/71/321948771.db2.gz VORACYHFGMBRMN-UHFFFAOYSA-N 2 0 345.491 1.735 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1C[C@@H](C)[NH+](Cc2ccccc2)C[C@H]1C ZINC000580462068 322055368 /nfs/dbraw/zinc/05/53/68/322055368.db2.gz PGHIKXLKRIBHNU-GGPKGHCWSA-N 2 0 349.519 1.520 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCO1 ZINC000580539098 322063428 /nfs/dbraw/zinc/06/34/28/322063428.db2.gz IPGYSQJRSTVQGT-MSOLQXFVSA-N 2 0 346.475 1.583 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000580555264 322066655 /nfs/dbraw/zinc/06/66/55/322066655.db2.gz LSQXERUFHOSUFN-APWZRJJASA-N 2 0 329.444 1.012 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000580703859 322084585 /nfs/dbraw/zinc/08/45/85/322084585.db2.gz OJRQZIDRWLPRJR-TZMCWYRMSA-N 2 0 338.452 1.647 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000580772531 322093430 /nfs/dbraw/zinc/09/34/30/322093430.db2.gz GCXVBHOBSRCQEC-SFHVURJKSA-N 2 0 333.476 1.690 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000580772530 322093500 /nfs/dbraw/zinc/09/35/00/322093500.db2.gz GCXVBHOBSRCQEC-GOSISDBHSA-N 2 0 333.476 1.690 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000580951438 322116756 /nfs/dbraw/zinc/11/67/56/322116756.db2.gz SCBYREQFTOKUKK-RTBURBONSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000581200636 322149527 /nfs/dbraw/zinc/14/95/27/322149527.db2.gz RATFXJVIFDYOKY-CVEARBPZSA-N 2 0 347.507 1.828 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C2)CC1 ZINC000581249465 322154532 /nfs/dbraw/zinc/15/45/32/322154532.db2.gz DHZDICCWBWVUJH-NLWGTHIKSA-N 2 0 348.535 1.393 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000581309662 322162534 /nfs/dbraw/zinc/16/25/34/322162534.db2.gz HLQHCMDKSWMOEK-ZACQAIPSSA-N 2 0 335.423 1.223 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000581827221 322221564 /nfs/dbraw/zinc/22/15/64/322221564.db2.gz IFHIRSZNQIOSTG-AWEZNQCLSA-N 2 0 344.459 1.591 20 0 EDADRP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000332596362 444521422 /nfs/dbraw/zinc/52/14/22/444521422.db2.gz HVNGCYPKWPLMDE-LVQVYYBASA-N 2 0 329.510 1.311 20 0 EDADRP CC(C)[C@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000338150806 444537942 /nfs/dbraw/zinc/53/79/42/444537942.db2.gz PONVAOQTGDQCQD-SFHVURJKSA-N 2 0 345.487 1.693 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CCC[N@@H+]1C ZINC000343713840 444539928 /nfs/dbraw/zinc/53/99/28/444539928.db2.gz NSTWKXJREAUNKU-RDJZCZTQSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@H]1C[N@H+](C)CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000343783710 444588274 /nfs/dbraw/zinc/58/82/74/444588274.db2.gz GAILDTDYQMIKNH-KRWDZBQOSA-N 2 0 344.503 1.535 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C[C@@H]21 ZINC000333510741 444677082 /nfs/dbraw/zinc/67/70/82/444677082.db2.gz JBJCLKKLRVXKMN-DAHHOXEWSA-N 2 0 346.519 1.909 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000333920388 444718448 /nfs/dbraw/zinc/71/84/48/444718448.db2.gz PVXOGWXQUJGNMM-ZRSRNVLSSA-N 2 0 342.487 1.758 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333945741 444725638 /nfs/dbraw/zinc/72/56/38/444725638.db2.gz TYPKEOGBKXSWRE-HIEASXQVSA-N 2 0 349.523 1.129 20 0 EDADRP C[C@@H](C(=O)NC1CCCCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344034560 444740902 /nfs/dbraw/zinc/74/09/02/444740902.db2.gz HCECFJPCNCKVBE-INIZCTEOSA-N 2 0 326.529 1.639 20 0 EDADRP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)[C@@H]1C ZINC000344054543 444753198 /nfs/dbraw/zinc/75/31/98/444753198.db2.gz JCUREKSRPYDARF-KZNAEPCWSA-N 2 0 340.556 1.743 20 0 EDADRP CC[C@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@H](C)O ZINC000334102913 444780487 /nfs/dbraw/zinc/78/04/87/444780487.db2.gz WYNJIBOTXJBGAS-BWNFHQQQSA-N 2 0 338.496 1.098 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164899 444817208 /nfs/dbraw/zinc/81/72/08/444817208.db2.gz PFODQFSVACADSN-IRXDYDNUSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)OC[C@@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336874483 444819423 /nfs/dbraw/zinc/81/94/23/444819423.db2.gz WTHRAYRJTQLZCJ-SFHVURJKSA-N 2 0 327.513 1.263 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@H]([NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000341469119 444847138 /nfs/dbraw/zinc/84/71/38/444847138.db2.gz XBKQIMGGCQQMSK-ZJPYXAASSA-N 2 0 325.497 1.017 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[N@@H+]1C ZINC000344235392 444855206 /nfs/dbraw/zinc/85/52/06/444855206.db2.gz KWWWOJVMPHZJEY-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337041603 444913405 /nfs/dbraw/zinc/91/34/05/444913405.db2.gz BKWREOXUQCRVMB-JKSUJKDBSA-N 2 0 344.459 1.381 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000337174192 444973084 /nfs/dbraw/zinc/97/30/84/444973084.db2.gz HQQFJYIHLLHJEV-QGZVFWFLSA-N 2 0 327.513 1.530 20 0 EDADRP CC(C)[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[NH+]1CCC(C)CC1 ZINC000344447857 444979681 /nfs/dbraw/zinc/97/96/81/444979681.db2.gz VGMBNWJHYXHXLZ-MRXNPFEDSA-N 2 0 325.497 1.615 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000337193702 444980744 /nfs/dbraw/zinc/98/07/44/444980744.db2.gz UTQWQAHDRHHDNV-MRXNPFEDSA-N 2 0 333.476 1.327 20 0 EDADRP CO[C@H](C)CN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000344522770 445031778 /nfs/dbraw/zinc/03/17/78/445031778.db2.gz HZJVEVVLGSCPDG-MRXNPFEDSA-N 2 0 349.479 1.270 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339067506 445017682 /nfs/dbraw/zinc/01/76/82/445017682.db2.gz LBNLHMWBQCTWLM-GJZGRUSLSA-N 2 0 334.464 1.458 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343084673 445050692 /nfs/dbraw/zinc/05/06/92/445050692.db2.gz TUMVHDOVNOIOAF-SFHVURJKSA-N 2 0 348.535 1.681 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000337386583 445058912 /nfs/dbraw/zinc/05/89/12/445058912.db2.gz DLBICALOYWJFRD-INIZCTEOSA-N 2 0 340.512 1.025 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000337550260 445133114 /nfs/dbraw/zinc/13/31/14/445133114.db2.gz YXEVORYUCPTDJH-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000345292879 445178361 /nfs/dbraw/zinc/17/83/61/445178361.db2.gz FKJFKBPCVJRZCA-IRXDYDNUSA-N 2 0 336.524 1.345 20 0 EDADRP COC[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000343338590 445204548 /nfs/dbraw/zinc/20/45/48/445204548.db2.gz DSQIVTNPSRFHBV-KRWDZBQOSA-N 2 0 327.513 1.528 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343346582 445206453 /nfs/dbraw/zinc/20/64/53/445206453.db2.gz JGTRTRVQGDOFNM-UHFFFAOYSA-N 2 0 345.447 1.231 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)CC1 ZINC000345693153 445196919 /nfs/dbraw/zinc/19/69/19/445196919.db2.gz OZGJUMJIRVDMSU-RDJZCZTQSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000345765212 445198760 /nfs/dbraw/zinc/19/87/60/445198760.db2.gz YYZXYJTVFSYYJG-YQQAZPJKSA-N 2 0 340.512 1.203 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000347332462 445236118 /nfs/dbraw/zinc/23/61/18/445236118.db2.gz GFAGPBHLXYLPHA-WMLDXEAASA-N 2 0 340.489 1.789 20 0 EDADRP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347879262 445252792 /nfs/dbraw/zinc/25/27/92/445252792.db2.gz UGQCJWUATDASQF-CGTJXYLNSA-N 2 0 349.523 1.992 20 0 EDADRP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347879264 445252895 /nfs/dbraw/zinc/25/28/95/445252895.db2.gz UGQCJWUATDASQF-JQHSSLGASA-N 2 0 349.523 1.992 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000348211409 445317679 /nfs/dbraw/zinc/31/76/79/445317679.db2.gz PLCPDNDVCNKJPB-UHFFFAOYSA-N 2 0 346.537 1.634 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)CC[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000351706391 445282825 /nfs/dbraw/zinc/28/28/25/445282825.db2.gz IOZOGNWOVLMSOA-SJORKVTESA-N 2 0 337.508 1.963 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@H](OC)C[C@H]1C[NH+]1CCCC1)C(C)C ZINC000348129576 445284116 /nfs/dbraw/zinc/28/41/16/445284116.db2.gz TZIMGFWMCTWOPX-DLBZAZTESA-N 2 0 340.512 1.611 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+]3C[C@H](O)[C@@H](C)C3)CC2)cc1 ZINC000351812183 445330692 /nfs/dbraw/zinc/33/06/92/445330692.db2.gz PBERSZCWHQJCOF-HKUYNNGSSA-N 2 0 345.487 1.342 20 0 EDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000351863714 445347018 /nfs/dbraw/zinc/34/70/18/445347018.db2.gz UQUKAPDKPPTVHA-GJZGRUSLSA-N 2 0 344.459 1.811 20 0 EDADRP CCOC(=O)[C@@](C)(O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000354849700 445423724 /nfs/dbraw/zinc/42/37/24/445423724.db2.gz LXHROSREXIPJHT-WMZOPIPTSA-N 2 0 326.481 1.744 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359702500 445383407 /nfs/dbraw/zinc/38/34/07/445383407.db2.gz GQMZRQVSLGYOSM-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)CCOC2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000349004349 445473019 /nfs/dbraw/zinc/47/30/19/445473019.db2.gz RPBUCSWXGGQVLC-GOSISDBHSA-N 2 0 331.460 1.627 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC1(CO)CCOCC1 ZINC000362638251 445474420 /nfs/dbraw/zinc/47/44/20/445474420.db2.gz SZXIRDAFGPORTK-BRWVUGGUSA-N 2 0 326.481 1.255 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355707849 445474722 /nfs/dbraw/zinc/47/47/22/445474722.db2.gz GMKBIGHAYCQXHA-FUHWJXTLSA-N 2 0 338.540 1.780 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000352080751 445479765 /nfs/dbraw/zinc/47/97/65/445479765.db2.gz BICLCAMXKODWSU-MRXNPFEDSA-N 2 0 331.526 1.322 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000359901274 445479963 /nfs/dbraw/zinc/47/99/63/445479963.db2.gz PWALWSCYVLKPIF-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357107534 445432265 /nfs/dbraw/zinc/43/22/65/445432265.db2.gz RRURWSJQONFEFH-MRXNPFEDSA-N 2 0 341.455 1.994 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H](C)O1 ZINC000362557913 445438926 /nfs/dbraw/zinc/43/89/26/445438926.db2.gz DWCMYJITMXKHLK-ZNMIVQPWSA-N 2 0 349.479 1.106 20 0 EDADRP CCC[C@H](C)CS(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000357174159 445467210 /nfs/dbraw/zinc/46/72/10/445467210.db2.gz SARQPDQGEDWNOC-HNNXBMFYSA-N 2 0 333.542 1.710 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000357287920 445526919 /nfs/dbraw/zinc/52/69/19/445526919.db2.gz KLMJCAZTSAROJG-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000359924905 445490804 /nfs/dbraw/zinc/49/08/04/445490804.db2.gz PMKQXKJDXQXKKJ-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCCOC1 ZINC000357245761 445505222 /nfs/dbraw/zinc/50/52/22/445505222.db2.gz QUEFQMDXCGFYSW-IRXDYDNUSA-N 2 0 342.528 1.717 20 0 EDADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000362824483 445566215 /nfs/dbraw/zinc/56/62/15/445566215.db2.gz AEWXEERXMAQOIS-QGZVFWFLSA-N 2 0 330.432 1.041 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360124595 445580455 /nfs/dbraw/zinc/58/04/55/445580455.db2.gz LUMUXYHDPXSRCB-CVEARBPZSA-N 2 0 328.501 1.107 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353453446 445608697 /nfs/dbraw/zinc/60/86/97/445608697.db2.gz RJBGFXYODGLEQK-IKGGRYGDSA-N 2 0 325.497 1.580 20 0 EDADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251955 445613661 /nfs/dbraw/zinc/61/36/61/445613661.db2.gz MYBOMMKKEVDCNS-BURNTYAHSA-N 2 0 343.515 1.943 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356117030 445630617 /nfs/dbraw/zinc/63/06/17/445630617.db2.gz MIDUQJCVNXUIHW-UHFFFAOYSA-N 2 0 338.496 1.417 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000358534299 445638632 /nfs/dbraw/zinc/63/86/32/445638632.db2.gz VPBFKADTSFWHDG-BPQIPLTHSA-N 2 0 348.491 1.119 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986399 445639175 /nfs/dbraw/zinc/63/91/75/445639175.db2.gz KLWVVPITKNAKSI-WMLDXEAASA-N 2 0 331.460 1.780 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(O)CCC1 ZINC000353540063 445648242 /nfs/dbraw/zinc/64/82/42/445648242.db2.gz YGIFHBCEPGSBRL-WMZOPIPTSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000363010400 445648268 /nfs/dbraw/zinc/64/82/68/445648268.db2.gz LVZXQGDNWUHZQI-NCOADZHNSA-N 2 0 338.496 1.269 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000349756987 445667920 /nfs/dbraw/zinc/66/79/20/445667920.db2.gz JMCBTPUVMQRTTQ-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000349779911 445675999 /nfs/dbraw/zinc/67/59/99/445675999.db2.gz AWXHGUFTZJGSCZ-MRXNPFEDSA-N 2 0 325.497 1.583 20 0 EDADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349903794 445716767 /nfs/dbraw/zinc/71/67/67/445716767.db2.gz BJYOJNMSMMXHMK-FGTMMUONSA-N 2 0 327.513 1.120 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000353819819 445770675 /nfs/dbraw/zinc/77/06/75/445770675.db2.gz SEBXIPYVXVDVMU-IBGZPJMESA-N 2 0 349.519 1.822 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C[NH+]1CCCC1 ZINC000358746572 445755474 /nfs/dbraw/zinc/75/54/74/445755474.db2.gz SRUSQLZFBQVGCY-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323690 445766225 /nfs/dbraw/zinc/76/62/25/445766225.db2.gz CAQUBJDAMIESMV-ZWKOTPCHSA-N 2 0 336.524 1.395 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000358814956 445788860 /nfs/dbraw/zinc/78/88/60/445788860.db2.gz PRVFXHBJDFFGDP-IRXDYDNUSA-N 2 0 339.528 1.138 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000350256283 445801683 /nfs/dbraw/zinc/80/16/83/445801683.db2.gz SDECQXCGKQGBLD-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356526362 445841632 /nfs/dbraw/zinc/84/16/32/445841632.db2.gz PFKMMPHLVKRECL-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)(C)C ZINC000350617241 445855102 /nfs/dbraw/zinc/85/51/02/445855102.db2.gz BLDKQRFAIFYWQR-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP CC[C@@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000356574817 445866502 /nfs/dbraw/zinc/86/65/02/445866502.db2.gz JEZIRKLERDJKQJ-DLBZAZTESA-N 2 0 327.513 1.924 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000361767545 445927814 /nfs/dbraw/zinc/92/78/14/445927814.db2.gz WZGGJEMBZNOEAK-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000350923747 445950302 /nfs/dbraw/zinc/95/03/02/445950302.db2.gz XEVNPFJAPUVALG-UHFFFAOYSA-N 2 0 339.430 1.897 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)n(C)n1 ZINC000359194290 446021541 /nfs/dbraw/zinc/02/15/41/446021541.db2.gz AQXYKJQRCCHLNT-MRXNPFEDSA-N 2 0 347.507 1.786 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCS(=O)(=O)C1 ZINC000582868721 325947043 /nfs/dbraw/zinc/94/70/43/325947043.db2.gz JDHOORHUDHXYGW-AWEZNQCLSA-N 2 0 334.445 1.490 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CN(C2CC2)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366082229 446001923 /nfs/dbraw/zinc/00/19/23/446001923.db2.gz CJQWXIPZUNODSY-INMHGKMJSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000583131430 326007961 /nfs/dbraw/zinc/00/79/61/326007961.db2.gz IKBMJZZVFZFQOH-OAHLLOKOSA-N 2 0 348.495 1.969 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCCO1 ZINC000583151758 326014272 /nfs/dbraw/zinc/01/42/72/326014272.db2.gz GOYRPBRZMGLTSF-OWCLPIDISA-N 2 0 337.851 1.219 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000583243697 326031681 /nfs/dbraw/zinc/03/16/81/326031681.db2.gz VDWOWJLRFMGCCE-MRXNPFEDSA-N 3 0 341.544 1.242 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]2CCCCN12 ZINC000583493901 326083527 /nfs/dbraw/zinc/08/35/27/326083527.db2.gz KQEQQQJUWCBCKK-MCNSXXNHSA-N 2 0 341.455 1.985 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000583815426 326146049 /nfs/dbraw/zinc/14/60/49/326146049.db2.gz KVPXNMZFIBZPHO-SJORKVTESA-N 2 0 345.491 1.227 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)COc1ccccc1 ZINC000583930043 326166729 /nfs/dbraw/zinc/16/67/29/326166729.db2.gz NVKIWGKYPAMUKE-YZGWKJHDSA-N 2 0 348.487 1.784 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)COc1ccc2c(c1)OCO2 ZINC000584108444 326200534 /nfs/dbraw/zinc/20/05/34/326200534.db2.gz DZFOPFYKAUAELN-OAHLLOKOSA-N 2 0 341.367 1.593 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000369348613 446091346 /nfs/dbraw/zinc/09/13/46/446091346.db2.gz JLWGICSWNCZNHX-INMHGKMJSA-N 2 0 336.476 1.903 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000369352763 446096020 /nfs/dbraw/zinc/09/60/20/446096020.db2.gz AJNKWCQDBQOGTG-SFHVURJKSA-N 2 0 348.466 1.866 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359278860 446114530 /nfs/dbraw/zinc/11/45/30/446114530.db2.gz UAFSSMUXLSZWIB-FHERZECASA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359346569 446165183 /nfs/dbraw/zinc/16/51/83/446165183.db2.gz CECIEAUTFQTWNE-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CN[C@H](C)C(=O)NCCF)sc2C1 ZINC000370306858 446224243 /nfs/dbraw/zinc/22/42/43/446224243.db2.gz XUFCYVLNRRUWIX-LLVKDONJSA-N 2 0 328.457 1.473 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000365489955 446229901 /nfs/dbraw/zinc/22/99/01/446229901.db2.gz GRTCUHNMVNSLEK-APWZRJJASA-N 2 0 330.476 1.145 20 0 EDADRP C[C@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373532413 446251485 /nfs/dbraw/zinc/25/14/85/446251485.db2.gz WSBDFCGCACPVIQ-FXAWDEMLSA-N 2 0 331.504 1.994 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000359502070 446262812 /nfs/dbraw/zinc/26/28/12/446262812.db2.gz DKONVHTUGNTURM-DLBZAZTESA-N 2 0 327.513 1.802 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC(=O)NC1CCCCC1 ZINC000362272485 446297187 /nfs/dbraw/zinc/29/71/87/446297187.db2.gz GAQGBPVFSUYHBS-NXHRZFHOSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCc2cncn2C)C[C@@H](C)O1 ZINC000373711962 446309768 /nfs/dbraw/zinc/30/97/68/446309768.db2.gz DWQQRPVXNABHHX-BFYDXBDKSA-N 2 0 334.464 1.453 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@@H]3CCCNC3=O)CC2)CC1 ZINC000362364168 446335675 /nfs/dbraw/zinc/33/56/75/446335675.db2.gz HABLHFBTIRKRCK-GOSISDBHSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000417364420 446349693 /nfs/dbraw/zinc/34/96/93/446349693.db2.gz MUDAZNXDZYDMEW-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417436401 446352045 /nfs/dbraw/zinc/35/20/45/446352045.db2.gz DRUKFNKZQNZSDC-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417509560 446358434 /nfs/dbraw/zinc/35/84/34/446358434.db2.gz VSJCWYYVEOFXEL-MSOLQXFVSA-N 2 0 330.476 1.602 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH2+]1 ZINC000417509561 446358509 /nfs/dbraw/zinc/35/85/09/446358509.db2.gz VSJCWYYVEOFXEL-QZTJIDSGSA-N 2 0 330.476 1.602 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523044 446361484 /nfs/dbraw/zinc/36/14/84/446361484.db2.gz HNVQOHOCGMAQDA-WBVHZDCISA-N 2 0 348.491 1.548 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000417524021 446361923 /nfs/dbraw/zinc/36/19/23/446361923.db2.gz ITQWNORABKVJIF-MRXNPFEDSA-N 2 0 334.464 1.221 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000365843496 446367473 /nfs/dbraw/zinc/36/74/73/446367473.db2.gz LOKKSQZYINUQFK-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000365872003 446380932 /nfs/dbraw/zinc/38/09/32/446380932.db2.gz SWXFAGVWPFBBPP-LSDHHAIUSA-N 2 0 326.485 1.221 20 0 EDADRP CCn1cncc1C[NH2+][C@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000417930646 446389006 /nfs/dbraw/zinc/38/90/06/446389006.db2.gz BDVWOTUDZCHITB-KRWDZBQOSA-N 2 0 344.415 1.815 20 0 EDADRP CCNc1nc(NC(C)(C)C)nc(N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000376228929 446390559 /nfs/dbraw/zinc/39/05/59/446390559.db2.gz MOCLOIDWYVCRQD-CYBMUJFWSA-N 2 0 333.484 1.610 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000417936832 446390926 /nfs/dbraw/zinc/39/09/26/446390926.db2.gz HUUHDMMOOSQIOU-SQNIBIBYSA-N 2 0 328.460 1.968 20 0 EDADRP CN(C)C(=O)c1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000418066697 446429966 /nfs/dbraw/zinc/42/99/66/446429966.db2.gz LVGXEKGVRWLLAP-UHFFFAOYSA-N 2 0 346.519 1.846 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418187112 446452450 /nfs/dbraw/zinc/45/24/50/446452450.db2.gz CWWDVYYCEYZYSR-LSDHHAIUSA-N 2 0 349.479 1.304 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000418144076 446441805 /nfs/dbraw/zinc/44/18/05/446441805.db2.gz MXXROKOTSQDMHM-QRVBRYPASA-N 2 0 342.487 1.900 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000418128267 446442144 /nfs/dbraw/zinc/44/21/44/446442144.db2.gz APNDTBFBRFHTOR-MAUKXSAKSA-N 2 0 330.476 1.900 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418170344 446443953 /nfs/dbraw/zinc/44/39/53/446443953.db2.gz SALHVFMIQVEHLW-ZNMIVQPWSA-N 2 0 338.452 1.387 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(NS(C)(=O)=O)c1 ZINC000423175279 446445624 /nfs/dbraw/zinc/44/56/24/446445624.db2.gz DKNONSSORMJEHR-AWEZNQCLSA-N 2 0 340.493 1.004 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177413 446446854 /nfs/dbraw/zinc/44/68/54/446446854.db2.gz DWISBLRXXFMLNZ-MJGOQNOKSA-N 3 0 330.476 1.127 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417972488 446404525 /nfs/dbraw/zinc/40/45/25/446404525.db2.gz BOBHVMHNCLUFNI-LPHOPBHVSA-N 2 0 348.491 1.575 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982345 446406633 /nfs/dbraw/zinc/40/66/33/446406633.db2.gz AAQCONAKNDMWKI-AEFFLSMTSA-N 2 0 348.491 1.432 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417988241 446409460 /nfs/dbraw/zinc/40/94/60/446409460.db2.gz ILOXBGAFTXERKZ-JCGIZDLHSA-N 2 0 346.475 1.193 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418011612 446415127 /nfs/dbraw/zinc/41/51/27/446415127.db2.gz LBZHBRLEWYQKGY-IMFGXOCKSA-N 2 0 342.487 1.902 20 0 EDADRP CSC1(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[NH+](C)CC1 ZINC000418199342 446455461 /nfs/dbraw/zinc/45/54/61/446455461.db2.gz NKIQTSXDPUCNKQ-SHTZXODSSA-N 2 0 342.553 1.878 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423229721 446459522 /nfs/dbraw/zinc/45/95/22/446459522.db2.gz HVURFUDDFSNRAR-IYXRBSQSSA-N 2 0 325.478 1.871 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000420299722 446461436 /nfs/dbraw/zinc/46/14/36/446461436.db2.gz BLUIYEDBHNFULP-CABCVRRESA-N 2 0 333.432 1.252 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000420304653 446467612 /nfs/dbraw/zinc/46/76/12/446467612.db2.gz FHJVZKJPRPUBRG-SJORKVTESA-N 2 0 348.491 1.057 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423307617 446481956 /nfs/dbraw/zinc/48/19/56/446481956.db2.gz HMBHCNBTLHQTQG-OAHLLOKOSA-N 2 0 341.459 1.868 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418289112 446485871 /nfs/dbraw/zinc/48/58/71/446485871.db2.gz XIQIGWMQUQOLCB-UHFFFAOYSA-N 2 0 340.512 1.573 20 0 EDADRP CC1(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC[NH2+]CC1 ZINC000423316989 446486149 /nfs/dbraw/zinc/48/61/49/446486149.db2.gz BAYJOXGWFXMSMI-INIZCTEOSA-N 2 0 337.489 1.691 20 0 EDADRP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324496 446492001 /nfs/dbraw/zinc/49/20/01/446492001.db2.gz CBSPANXTLHTVSR-KYJSFNMBSA-N 2 0 325.497 1.708 20 0 EDADRP CCOCCN1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000423374658 446506545 /nfs/dbraw/zinc/50/65/45/446506545.db2.gz CPYFDENKKQRJOK-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000418338629 446506793 /nfs/dbraw/zinc/50/67/93/446506793.db2.gz LKQRIXBLGDWYMO-GOSISDBHSA-N 2 0 345.491 1.831 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418350996 446510391 /nfs/dbraw/zinc/51/03/91/446510391.db2.gz ASGZHEBDBXDLEL-MRXNPFEDSA-N 2 0 340.512 1.376 20 0 EDADRP CC(C)[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)[NH3+] ZINC000423378860 446510728 /nfs/dbraw/zinc/51/07/28/446510728.db2.gz LEAGSAMZGPLZBH-QAPCUYQASA-N 2 0 335.492 1.905 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000423383932 446511299 /nfs/dbraw/zinc/51/12/99/446511299.db2.gz FRZQRLCMOYOGTE-RHSMWYFYSA-N 2 0 346.475 1.379 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@H]1C ZINC000423384391 446511465 /nfs/dbraw/zinc/51/14/65/446511465.db2.gz QADDUPDUYVCBOE-PMPSAXMXSA-N 2 0 340.512 1.149 20 0 EDADRP Cc1ncc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(C)n1 ZINC000423387968 446512422 /nfs/dbraw/zinc/51/24/22/446512422.db2.gz MGSPYDXXIOHQPZ-YGRLFVJLSA-N 2 0 331.386 1.580 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000420341515 446512921 /nfs/dbraw/zinc/51/29/21/446512921.db2.gz ORPPWZPQBKJCGM-IRXDYDNUSA-N 2 0 344.459 1.334 20 0 EDADRP CC(C)(C(=O)NCCC[N@@H+]1CCC[C@@H]1C(N)=O)[C@H]([NH3+])c1ccccc1 ZINC000423388847 446513857 /nfs/dbraw/zinc/51/38/57/446513857.db2.gz JCVMELWFLHQVCP-HZPDHXFCSA-N 2 0 346.475 1.169 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000420328439 446497579 /nfs/dbraw/zinc/49/75/79/446497579.db2.gz ZLYFNWYKLYZQFE-KRWDZBQOSA-N 2 0 345.487 1.772 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C[C@H](C)O ZINC000418481410 446558977 /nfs/dbraw/zinc/55/89/77/446558977.db2.gz DKFRYFMEZMIOSL-HDMKZQKVSA-N 2 0 348.491 1.693 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCC1C[NH2+]C1 ZINC000418481494 446559954 /nfs/dbraw/zinc/55/99/54/446559954.db2.gz CWVIQBQKLYMAHR-UHFFFAOYSA-N 2 0 326.391 1.257 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418486077 446562678 /nfs/dbraw/zinc/56/26/78/446562678.db2.gz INRGSQXVSVLBGP-QAPCUYQASA-N 2 0 330.476 1.887 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418367208 446516747 /nfs/dbraw/zinc/51/67/47/446516747.db2.gz ZFZOYKLXSLOMOT-IRXDYDNUSA-N 2 0 333.480 1.013 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000411395910 446518003 /nfs/dbraw/zinc/51/80/03/446518003.db2.gz WFXJYUYOHSTRIS-UHFFFAOYSA-N 2 0 346.475 1.549 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418376303 446519962 /nfs/dbraw/zinc/51/99/62/446519962.db2.gz IJEAHIFCQVBEBT-MJGOQNOKSA-N 2 0 328.460 1.656 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@H]1CCC[NH2+]C1 ZINC000418379412 446520963 /nfs/dbraw/zinc/52/09/63/446520963.db2.gz JCFMHMUJIGVOJN-PVAVHDDUSA-N 2 0 334.439 1.570 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433008090 446525784 /nfs/dbraw/zinc/52/57/84/446525784.db2.gz NVOBQGFSMSWMGT-INIZCTEOSA-N 2 0 339.505 1.901 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000433135847 446535034 /nfs/dbraw/zinc/53/50/34/446535034.db2.gz KATACWFXMTWXAB-GOSISDBHSA-N 3 0 336.524 1.570 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418415576 446535620 /nfs/dbraw/zinc/53/56/20/446535620.db2.gz NWEYKSCWYIEABU-PKOBYXMFSA-N 2 0 348.491 1.296 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000433181278 446545246 /nfs/dbraw/zinc/54/52/46/446545246.db2.gz XMHYCESAKSYIIP-INIZCTEOSA-N 2 0 346.475 1.634 20 0 EDADRP C[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000420368271 446546419 /nfs/dbraw/zinc/54/64/19/446546419.db2.gz HXRFFEKHKVACHI-GFCCVEGCSA-N 2 0 327.375 1.761 20 0 EDADRP O=C(NCC1C[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000423468514 446548861 /nfs/dbraw/zinc/54/88/61/446548861.db2.gz CBPWVWDFQYBGBE-HUUCEWRRSA-N 2 0 341.377 1.633 20 0 EDADRP CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420369794 446549620 /nfs/dbraw/zinc/54/96/20/446549620.db2.gz IZFBWBZGIMQDQF-UFYCRDLUSA-N 2 0 345.487 1.393 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000418458713 446549980 /nfs/dbraw/zinc/54/99/80/446549980.db2.gz JDLPJPROOCCNKS-QGZVFWFLSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1 ZINC000418457949 446550778 /nfs/dbraw/zinc/55/07/78/446550778.db2.gz HIONCPPKIQELTB-INIZCTEOSA-N 2 0 349.523 1.731 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376246 446553614 /nfs/dbraw/zinc/55/36/14/446553614.db2.gz QFHPRKXABZWRPJ-PMXSJFBMSA-N 2 0 343.515 1.866 20 0 EDADRP Cc1ccc([C@H](CCn2cncn2)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000423492557 446553991 /nfs/dbraw/zinc/55/39/91/446553991.db2.gz NQCADTRIKVVVCF-MSOLQXFVSA-N 2 0 329.448 1.686 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000420377607 446555253 /nfs/dbraw/zinc/55/52/53/446555253.db2.gz PVGRYHIBZVOVMI-HKUYNNGSSA-N 2 0 344.503 1.308 20 0 EDADRP CC[N@H+](CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)C1CC1 ZINC000376526696 446555829 /nfs/dbraw/zinc/55/58/29/446555829.db2.gz AAOZGNQOIUEIGG-UHFFFAOYSA-N 2 0 333.480 1.290 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000418470077 446556979 /nfs/dbraw/zinc/55/69/79/446556979.db2.gz QJAXPRJDXDHKEU-OAHLLOKOSA-N 2 0 327.517 1.171 20 0 EDADRP Cc1cc(C)cc(OCC(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420381065 446557403 /nfs/dbraw/zinc/55/74/03/446557403.db2.gz XIXRYAZMDWXAIY-SFHVURJKSA-N 2 0 345.487 1.826 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418613297 446615926 /nfs/dbraw/zinc/61/59/26/446615926.db2.gz JIOYOJBUQRZOPF-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433467582 446579339 /nfs/dbraw/zinc/57/93/39/446579339.db2.gz QYHZHRMNOTYMHS-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCC(=O)Nc2ccc(Cl)cc2F)CC1 ZINC000420406393 446580858 /nfs/dbraw/zinc/58/08/58/446580858.db2.gz QPFKMDJPASMLTE-UHFFFAOYSA-N 2 0 329.803 1.593 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418525419 446581674 /nfs/dbraw/zinc/58/16/74/446581674.db2.gz OHUPODLHCODTFW-ZDUSSCGKSA-N 2 0 338.418 1.902 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418529255 446581787 /nfs/dbraw/zinc/58/17/87/446581787.db2.gz SYMOGHXICUUSAF-OIISXLGYSA-N 2 0 339.528 1.312 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CC(=O)N2CCC(Cc3ccccc3)CC2)CC1 ZINC000420409136 446583449 /nfs/dbraw/zinc/58/34/49/446583449.db2.gz XUCBEKSBRHPPGE-UHFFFAOYSA-N 2 0 345.487 1.253 20 0 EDADRP O=C(CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000420410797 446585021 /nfs/dbraw/zinc/58/50/21/446585021.db2.gz RKHWWNLIQCCXDP-WMZOPIPTSA-N 2 0 331.460 1.566 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)CN2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000420419307 446593834 /nfs/dbraw/zinc/59/38/34/446593834.db2.gz XPCJGJCATOXQRL-DZGCQCFKSA-N 2 0 333.432 1.719 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418587858 446603718 /nfs/dbraw/zinc/60/37/18/446603718.db2.gz RITOQPNCEXPJQN-AOIWGVFYSA-N 2 0 346.475 1.193 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000376693870 446656713 /nfs/dbraw/zinc/65/67/13/446656713.db2.gz CUZCATQZPBGZNO-KBXCAEBGSA-N 2 0 348.422 1.024 20 0 EDADRP COCC[C@]1(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[NH2+]C1 ZINC000376695914 446657283 /nfs/dbraw/zinc/65/72/83/446657283.db2.gz SNZGDXPWVYRBPL-LJQANCHMSA-N 2 0 349.475 1.259 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000423738906 446670257 /nfs/dbraw/zinc/67/02/57/446670257.db2.gz FNYCDQADNLEJGX-PMPSAXMXSA-N 2 0 339.480 1.380 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423745340 446674201 /nfs/dbraw/zinc/67/42/01/446674201.db2.gz MHABTPUSPZQYPY-JKSUJKDBSA-N 2 0 339.480 1.252 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1OCCN(C)[C@H]1c1ccccc1 ZINC000418625149 446620833 /nfs/dbraw/zinc/62/08/33/446620833.db2.gz IFBQRNDNQJHCDH-XIRDDKMYSA-N 2 0 334.464 1.308 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418643422 446629137 /nfs/dbraw/zinc/62/91/37/446629137.db2.gz UODLPUOYCPCLSY-CRAIPNDOSA-N 2 0 330.476 1.857 20 0 EDADRP COC[C@@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCC[NH2+]1 ZINC000418652234 446634943 /nfs/dbraw/zinc/63/49/43/446634943.db2.gz IITJQOXRIBQFNP-RYRKJORJSA-N 2 0 338.496 1.412 20 0 EDADRP O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@@H](n2ccnc2)C1 ZINC000376750632 446696255 /nfs/dbraw/zinc/69/62/55/446696255.db2.gz UBKASXBNVZVYJF-SJORKVTESA-N 2 0 332.448 1.548 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418781092 446699097 /nfs/dbraw/zinc/69/90/97/446699097.db2.gz CSWBINNAGMHXCP-HNNXBMFYSA-N 2 0 340.493 1.200 20 0 EDADRP C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000435627374 446704139 /nfs/dbraw/zinc/70/41/39/446704139.db2.gz RBENMHRJAXWJNH-KRWDZBQOSA-N 2 0 345.491 1.194 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)[nH]1 ZINC000368294954 446765025 /nfs/dbraw/zinc/76/50/25/446765025.db2.gz XOMGBRRJALWVLR-UHFFFAOYSA-N 2 0 348.491 1.651 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1)c1ccccc1 ZINC000412051089 446814304 /nfs/dbraw/zinc/81/43/04/446814304.db2.gz VOYZNKAHEMEDRS-WJFTUGDTSA-N 2 0 345.487 1.498 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418940954 446815267 /nfs/dbraw/zinc/81/52/67/446815267.db2.gz UIHOMENHEPZLNE-QGZVFWFLSA-N 2 0 346.475 1.041 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCc2[nH]cnc2C1 ZINC000371446350 446861019 /nfs/dbraw/zinc/86/10/19/446861019.db2.gz CUVVTJFHGFMZOH-CQSZACIVSA-N 2 0 332.448 1.418 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000368439266 446862867 /nfs/dbraw/zinc/86/28/67/446862867.db2.gz SLWCBTZRGPMAHT-ZWKOTPCHSA-N 2 0 325.497 1.630 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)Cc2ccccc2C1 ZINC000454541755 446906010 /nfs/dbraw/zinc/90/60/10/446906010.db2.gz GVXREQYXBHHPSA-ZWKOTPCHSA-N 2 0 342.487 1.431 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412268791 446918395 /nfs/dbraw/zinc/91/83/95/446918395.db2.gz KKNBGKYQUAFTGU-UHFFFAOYSA-N 2 0 333.476 1.717 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767203 446959064 /nfs/dbraw/zinc/95/90/64/446959064.db2.gz YCYRFHHKZVUIOH-BRWVUGGUSA-N 2 0 330.476 1.393 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@]1(F)CC[NH2+]C1)[NH+]1CCCC1 ZINC000372121899 447016212 /nfs/dbraw/zinc/01/62/12/447016212.db2.gz RBXLMJLXABCUJA-MAUKXSAKSA-N 2 0 335.423 1.650 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000368617195 446983797 /nfs/dbraw/zinc/98/37/97/446983797.db2.gz GSKAYBMGAZDCSJ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000372091493 446995966 /nfs/dbraw/zinc/99/59/66/446995966.db2.gz DJLZOKWNKMRGQH-MRXNPFEDSA-N 2 0 341.521 1.042 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443058012 447000108 /nfs/dbraw/zinc/00/01/08/447000108.db2.gz ISDLKHVCURNYEH-CQSZACIVSA-N 2 0 332.448 1.388 20 0 EDADRP O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[NH2+]CCO1 ZINC000372098256 447000830 /nfs/dbraw/zinc/00/08/30/447000830.db2.gz IAVMERDSOXYQBD-SFHVURJKSA-N 2 0 331.460 1.046 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000372464513 447066645 /nfs/dbraw/zinc/06/66/45/447066645.db2.gz QOEXJELXTYZTPB-MZZPOWALSA-N 2 0 337.508 1.756 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)NC(=O)C1(CCCCC1)N2 ZINC000368788427 447106703 /nfs/dbraw/zinc/10/67/03/447106703.db2.gz SAGGGNRAAFWADJ-UHFFFAOYSA-N 2 0 336.480 1.068 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889932 447125193 /nfs/dbraw/zinc/12/51/93/447125193.db2.gz LUMFEBIDGKAYOH-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889751 447123500 /nfs/dbraw/zinc/12/35/00/447123500.db2.gz LBMCHGCVSJYYFO-DLBZAZTESA-N 2 0 338.540 1.780 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000455231169 447092162 /nfs/dbraw/zinc/09/21/62/447092162.db2.gz QOKAQQISKAXEMH-QGZVFWFLSA-N 2 0 348.491 1.759 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000419394741 447148710 /nfs/dbraw/zinc/14/87/10/447148710.db2.gz AJJSTXOKUPATDV-JKSUJKDBSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000419403717 447154359 /nfs/dbraw/zinc/15/43/59/447154359.db2.gz QLYGAVAONWVCNT-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)CC1 ZINC000455424201 447126382 /nfs/dbraw/zinc/12/63/82/447126382.db2.gz CSSCGQXHPRLWKL-INIZCTEOSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000368815021 447128423 /nfs/dbraw/zinc/12/84/23/447128423.db2.gz YHEKPQYZJGRHMS-MJQMVNBJSA-N 2 0 334.508 1.003 20 0 EDADRP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000368817656 447131039 /nfs/dbraw/zinc/13/10/39/447131039.db2.gz NSZVJOJPZFANBL-XMTFNYHQSA-N 2 0 329.444 1.368 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419452367 447186808 /nfs/dbraw/zinc/18/68/08/447186808.db2.gz OZXWRFCQAZHOLX-OAGGEKHMSA-N 2 0 342.528 1.449 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451805 447189719 /nfs/dbraw/zinc/18/97/19/447189719.db2.gz MUVDCVZKGUXMGJ-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419458035 447192695 /nfs/dbraw/zinc/19/26/95/447192695.db2.gz YHUYRDQNERTWOK-IXDOHACOSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000455673581 447205523 /nfs/dbraw/zinc/20/55/23/447205523.db2.gz YHJVJYFVMYPKTO-UHFFFAOYSA-N 2 0 336.484 1.875 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377579369 447218742 /nfs/dbraw/zinc/21/87/42/447218742.db2.gz CSMMODYJWDUBBF-HZPDHXFCSA-N 2 0 343.431 1.039 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419500773 447227688 /nfs/dbraw/zinc/22/76/88/447227688.db2.gz ABCOCQUCUALOIV-UHFFFAOYSA-N 2 0 338.496 1.001 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376047666 447234019 /nfs/dbraw/zinc/23/40/19/447234019.db2.gz VPQZYZLCXHOWEM-MRXNPFEDSA-N 2 0 348.495 2.098 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368969809 447235079 /nfs/dbraw/zinc/23/50/79/447235079.db2.gz PBRMVPGMNRZHPU-IKGGRYGDSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000372716460 447242707 /nfs/dbraw/zinc/24/27/07/447242707.db2.gz OYQKJFCRLVBMJL-CVEARBPZSA-N 2 0 344.459 1.660 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000369048880 447288386 /nfs/dbraw/zinc/28/83/86/447288386.db2.gz YOMDSSWWYBIFIG-MQVJKMGUSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)(CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C[NH+]1CCCC1 ZINC000458686111 447452007 /nfs/dbraw/zinc/45/20/07/447452007.db2.gz ABOUNOGWNPWAJZ-INIZCTEOSA-N 2 0 340.512 1.254 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904123 447488555 /nfs/dbraw/zinc/48/85/55/447488555.db2.gz FYRJPYIIOPAUMX-DZGCQCFKSA-N 2 0 344.484 1.895 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458863633 447491264 /nfs/dbraw/zinc/49/12/64/447491264.db2.gz ZDPDJFOWNHCUIX-UHFFFAOYSA-N 2 0 340.512 1.351 20 0 EDADRP O=C1C[C@@H]([NH2+]C[C@H]2CN(Cc3ccccc3)CCCO2)CCCN1 ZINC000390845916 447502807 /nfs/dbraw/zinc/50/28/07/447502807.db2.gz GWQIBYUSYGCVFI-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCCC1 ZINC000427051481 447535392 /nfs/dbraw/zinc/53/53/92/447535392.db2.gz BVEDBWNQBLARIU-MRXNPFEDSA-N 2 0 325.497 1.462 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000457534861 447590745 /nfs/dbraw/zinc/59/07/45/447590745.db2.gz KHYGCNQKNRWPHR-CALCHBBNSA-N 2 0 340.512 1.205 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911156 447638129 /nfs/dbraw/zinc/63/81/29/447638129.db2.gz KUPZJGCJEZCFHJ-KVSKMBFKSA-N 3 0 348.491 1.277 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457547720 447594247 /nfs/dbraw/zinc/59/42/47/447594247.db2.gz YJYRHKGZLOHHJH-KRWDZBQOSA-N 2 0 340.512 1.254 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000459163407 447602514 /nfs/dbraw/zinc/60/25/14/447602514.db2.gz LABVKXVQYHFRPU-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459264389 447625952 /nfs/dbraw/zinc/62/59/52/447625952.db2.gz MYQUDWRUIOQKLP-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1cccc(F)c1 ZINC000416852632 447696985 /nfs/dbraw/zinc/69/69/85/447696985.db2.gz SKNHZSBBKUIGHL-HOTGVXAUSA-N 2 0 338.427 1.188 20 0 EDADRP CCCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000416870071 447699144 /nfs/dbraw/zinc/69/91/44/447699144.db2.gz NXBHSZXUBHOUAJ-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000416869404 447699239 /nfs/dbraw/zinc/69/92/39/447699239.db2.gz NGSGKAPENYHIGT-JKSUJKDBSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)NC(C)(C)CC[NH3+])c2)CCO1 ZINC000422602107 447665331 /nfs/dbraw/zinc/66/53/31/447665331.db2.gz ZPDWDQPVGCNLDJ-HNNXBMFYSA-N 2 0 348.491 1.834 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048765 447708190 /nfs/dbraw/zinc/70/81/90/447708190.db2.gz OSISOZAZXKIDGT-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP COc1ccc(NC(=O)NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422641678 447685261 /nfs/dbraw/zinc/68/52/61/447685261.db2.gz YJAPYVYLQDFAFP-IHRRRGAJSA-N 2 0 348.447 1.649 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496123673 447716536 /nfs/dbraw/zinc/71/65/36/447716536.db2.gz OHHVYODBOBDENZ-CQSZACIVSA-N 2 0 341.500 1.603 20 0 EDADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422714739 447725781 /nfs/dbraw/zinc/72/57/81/447725781.db2.gz LKTVEVJDEAWHFE-HMXCVIKNSA-N 2 0 343.515 1.908 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000417009153 447729726 /nfs/dbraw/zinc/72/97/26/447729726.db2.gz MXXCWWQMFYINMV-OKZBNKHCSA-N 2 0 336.524 1.994 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](C)N1CCOCC1 ZINC000422733079 447731975 /nfs/dbraw/zinc/73/19/75/447731975.db2.gz ARYDAJSSJUFSNA-JSFADZTLSA-N 2 0 345.487 1.941 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738996 447733695 /nfs/dbraw/zinc/73/36/95/447733695.db2.gz KPWVZSJPZLFBKR-QYZOEREBSA-N 2 0 344.503 1.657 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCn2nc(C)cc2C)CC[NH2+]CC1 ZINC000422758997 447741746 /nfs/dbraw/zinc/74/17/46/447741746.db2.gz ORHOVPHQICRBRQ-MRXNPFEDSA-N 2 0 336.480 1.801 20 0 EDADRP CC[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000422779633 447748029 /nfs/dbraw/zinc/74/80/29/447748029.db2.gz GCZSTBKNIPDBMR-GJZGRUSLSA-N 2 0 336.480 1.751 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777844 447748379 /nfs/dbraw/zinc/74/83/79/447748379.db2.gz GIVRYZBVJZUCKE-GDBMZVCRSA-N 2 0 328.464 1.902 20 0 EDADRP COc1ccc([C@H](NCCC[NH+]2CCN(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422795088 447752470 /nfs/dbraw/zinc/75/24/70/447752470.db2.gz ZRGNEGRJHGKKLA-PMACEKPBSA-N 2 0 346.519 1.715 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+]C2CCC(C[NH3+])CC2)cc(OC)c1 ZINC000422817443 447758463 /nfs/dbraw/zinc/75/84/63/447758463.db2.gz DAILIVXAKJZUNA-WIHSUSGWSA-N 2 0 336.476 1.962 20 0 EDADRP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])C1 ZINC000422849018 447768986 /nfs/dbraw/zinc/76/89/86/447768986.db2.gz LAJLFPWCZUYGHV-VVLHAWIVSA-N 2 0 333.476 1.863 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000422924048 447773482 /nfs/dbraw/zinc/77/34/82/447773482.db2.gz XMFGTETVUDLFCV-ZIAGYGMSSA-N 2 0 339.480 1.297 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)C2C[NH2+]C2)s1 ZINC000422943013 447776985 /nfs/dbraw/zinc/77/69/85/447776985.db2.gz XJVCNGVIGYJSGT-LLVKDONJSA-N 2 0 331.507 1.476 20 0 EDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000422980967 447787007 /nfs/dbraw/zinc/78/70/07/447787007.db2.gz RNMSHCFAMPERQH-XUUQEUKMSA-N 2 0 331.504 1.977 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422985777 447787591 /nfs/dbraw/zinc/78/75/91/447787591.db2.gz AGSCNXPFUKPLPM-WCQYABFASA-N 2 0 332.366 1.934 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C[NH3+])C1 ZINC000430930404 447788210 /nfs/dbraw/zinc/78/82/10/447788210.db2.gz ALIWYTQAWUZGMA-FUHWJXTLSA-N 2 0 344.503 1.436 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000423008758 447790990 /nfs/dbraw/zinc/79/09/90/447790990.db2.gz UNYOLDCJGZRTPK-RYQLBKOJSA-N 2 0 330.476 1.302 20 0 EDADRP C[C@H](CNC(=O)NCCOCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000471633273 447805463 /nfs/dbraw/zinc/80/54/63/447805463.db2.gz APVWBVNNCIRPAG-MRXNPFEDSA-N 2 0 348.491 1.311 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423111334 447806794 /nfs/dbraw/zinc/80/67/94/447806794.db2.gz IVOUIIXQMDHCPG-SNVBAGLBSA-N 2 0 337.848 1.474 20 0 EDADRP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl)[C@H]1CC[NH2+]C1 ZINC000423117052 447808835 /nfs/dbraw/zinc/80/88/35/447808835.db2.gz SROFGBSBYDJINJ-QWRGUYRKSA-N 2 0 349.859 1.345 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701972 447851789 /nfs/dbraw/zinc/85/17/89/447851789.db2.gz WHDCHIYBFABAST-MRRJBJDNSA-N 2 0 327.469 1.334 20 0 EDADRP CCOC(=O)N[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000496721959 447856383 /nfs/dbraw/zinc/85/63/83/447856383.db2.gz QMXIPCPENXKHCK-LUKYLMHMSA-N 2 0 341.496 1.894 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000523813334 447909464 /nfs/dbraw/zinc/90/94/64/447909464.db2.gz QBMKNGFHRNUTDJ-IAGOWNOFSA-N 2 0 340.512 1.373 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Nc1ccccc1 ZINC000576029824 447953651 /nfs/dbraw/zinc/95/36/51/447953651.db2.gz BRTJEZBHMAHLLY-ZWKOTPCHSA-N 2 0 331.460 1.983 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COCc2cccs2)CCCO1 ZINC000569920980 447917329 /nfs/dbraw/zinc/91/73/29/447917329.db2.gz OFIFVHQYWYQPFO-JKSUJKDBSA-N 2 0 342.505 1.716 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000570322464 447985304 /nfs/dbraw/zinc/98/53/04/447985304.db2.gz ILGSYVHQGKGXOH-QGZVFWFLSA-N 2 0 336.480 1.099 20 0 EDADRP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530995124 447996281 /nfs/dbraw/zinc/99/62/81/447996281.db2.gz ORQKSHACUXANPG-IRXDYDNUSA-N 2 0 342.528 1.572 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531056126 448010983 /nfs/dbraw/zinc/01/09/83/448010983.db2.gz MSLYRHULMBNYKZ-IBGZPJMESA-N 2 0 333.476 1.472 20 0 EDADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000552972417 447966512 /nfs/dbraw/zinc/96/65/12/447966512.db2.gz VKSQVXPAJYFFGQ-SFHVURJKSA-N 2 0 344.503 1.655 20 0 EDADRP [NH3+][C@H](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000570265277 447971449 /nfs/dbraw/zinc/97/14/49/447971449.db2.gz QOXMKSPSZXKHHK-DAWZGUTISA-N 2 0 330.476 1.409 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)c1 ZINC000576330203 448027938 /nfs/dbraw/zinc/02/79/38/448027938.db2.gz ANXMHXAGJUMFPF-INIZCTEOSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576409733 448049026 /nfs/dbraw/zinc/04/90/26/448049026.db2.gz AMAJQRYFAPCTME-SJORKVTESA-N 2 0 336.524 1.203 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531298316 448058305 /nfs/dbraw/zinc/05/83/05/448058305.db2.gz JOWGMQLHGXHSMK-IMFGXOCKSA-N 2 0 345.487 1.565 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[NH+]3CCN(C)CC3)cc12 ZINC000555554276 448087040 /nfs/dbraw/zinc/08/70/40/448087040.db2.gz URFUNXWWRXVDOE-UHFFFAOYSA-N 2 0 330.480 1.394 20 0 EDADRP Cc1c(-c2cc(C[NH+]3CCC(OCCC[NH3+])CC3)on2)cnn1C ZINC000576584971 448091341 /nfs/dbraw/zinc/09/13/41/448091341.db2.gz WEZAWLPNJJPPTN-UHFFFAOYSA-N 2 0 333.436 1.713 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000571277453 448124696 /nfs/dbraw/zinc/12/46/96/448124696.db2.gz IUYCXVPDBNUJDC-IEBWSBKVSA-N 2 0 348.487 1.825 20 0 EDADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000507533775 448145118 /nfs/dbraw/zinc/14/51/18/448145118.db2.gz TZUKRZJFXAHRNW-QRQLOZEOSA-N 2 0 347.503 1.680 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000514739494 448197775 /nfs/dbraw/zinc/19/77/75/448197775.db2.gz QZXPSVBLMQIXPU-QZTJIDSGSA-N 2 0 330.476 1.434 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000532282266 448226248 /nfs/dbraw/zinc/22/62/48/448226248.db2.gz JGHRSSJUICAZGS-OIISXLGYSA-N 2 0 338.496 1.100 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000514932927 448227663 /nfs/dbraw/zinc/22/76/63/448227663.db2.gz NRLBUZVISCYQKH-KSSFIOAISA-N 2 0 332.444 1.869 20 0 EDADRP C[C@@H]1C[C@H](NCc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000532209512 448216779 /nfs/dbraw/zinc/21/67/79/448216779.db2.gz MVNYRWOTJWRMDD-CRAIPNDOSA-N 2 0 331.460 1.731 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000515143220 448264851 /nfs/dbraw/zinc/26/48/51/448264851.db2.gz SFDQFTYGBCUWIN-HIFRSBDPSA-N 2 0 340.418 1.803 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577384570 448283859 /nfs/dbraw/zinc/28/38/59/448283859.db2.gz CFMRRSRYQYBCBB-RTBURBONSA-N 2 0 347.503 1.982 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582791488 448341908 /nfs/dbraw/zinc/34/19/08/448341908.db2.gz YZYIRCOSWVFYTG-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](OCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000515800519 448349993 /nfs/dbraw/zinc/34/99/93/448349993.db2.gz LIZJLYIOAFKVTN-IEBWSBKVSA-N 2 0 335.492 1.352 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527768067 448357255 /nfs/dbraw/zinc/35/72/55/448357255.db2.gz DLOVZWXBSZTNOE-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C[C@@H](C)n3ccnc3)CC2)CC1 ZINC000572249526 448327360 /nfs/dbraw/zinc/32/73/60/448327360.db2.gz OFMBSTHCSICALD-QGZVFWFLSA-N 3 0 347.507 1.853 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H](c2nccn2C)C(F)(F)F)C1 ZINC000577766807 448383760 /nfs/dbraw/zinc/38/37/60/448383760.db2.gz KDAGLSOMXPJHKT-VXGBXAGGSA-N 2 0 348.369 1.293 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000566150806 448396778 /nfs/dbraw/zinc/39/67/78/448396778.db2.gz GZYNBCFMLYJZGC-IRXDYDNUSA-N 2 0 331.464 1.412 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000577964232 448427850 /nfs/dbraw/zinc/42/78/50/448427850.db2.gz DCHZZLQMYSTNKH-MSOLQXFVSA-N 2 0 330.476 1.697 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(Cc3nccn3-c3ccccc3)C2)nn1 ZINC000516551236 448436293 /nfs/dbraw/zinc/43/62/93/448436293.db2.gz YYIWNRFIYKSBAQ-QGZVFWFLSA-N 2 0 337.431 1.760 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186776 448478877 /nfs/dbraw/zinc/47/88/77/448478877.db2.gz BJLJBTMOGMACBF-RKVPGOIHSA-N 2 0 325.497 1.063 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000573001383 448519585 /nfs/dbraw/zinc/51/95/85/448519585.db2.gz NUTNUSANJFILRY-ZIAGYGMSSA-N 2 0 338.496 1.142 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@H]2C[NH2+]CCCO2)ccc1F ZINC000578505553 448564455 /nfs/dbraw/zinc/56/44/55/448564455.db2.gz OFJGIUKRJRCTGY-OAHLLOKOSA-N 2 0 338.427 1.065 20 0 EDADRP CC[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000573222819 448575817 /nfs/dbraw/zinc/57/58/17/448575817.db2.gz JSWFVEXQZDRHSX-ROUUACIJSA-N 2 0 330.476 1.875 20 0 EDADRP CCOc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1Cl ZINC000584465489 448537095 /nfs/dbraw/zinc/53/70/95/448537095.db2.gz LHCLTBHIFBNXIY-HNNXBMFYSA-N 2 0 341.883 1.437 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000578546682 448578543 /nfs/dbraw/zinc/57/85/43/448578543.db2.gz LZVLLQIPJQNXRL-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578452578 448550065 /nfs/dbraw/zinc/55/00/65/448550065.db2.gz OAKXRSOVXFPWSK-INIZCTEOSA-N 2 0 335.496 1.685 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000591927393 448586129 /nfs/dbraw/zinc/58/61/29/448586129.db2.gz UJOWSUCQLXVOBZ-UHFFFAOYSA-N 2 0 328.464 1.289 20 0 EDADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000578642560 448602751 /nfs/dbraw/zinc/60/27/51/448602751.db2.gz QOANNGOWCFEVMD-KDOFPFPSSA-N 2 0 332.444 1.869 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[NH+](CC2CC2)CC1 ZINC000528712843 448640484 /nfs/dbraw/zinc/64/04/84/448640484.db2.gz FNFZYWBGQXFCGN-UHFFFAOYSA-N 2 0 330.432 1.728 20 0 EDADRP Cc1cncn1CC(=O)NC1CCN(c2cc(C)nc(C)n2)CC1 ZINC000528799358 448682475 /nfs/dbraw/zinc/68/24/75/448682475.db2.gz SXQMLFJSNSQBPG-UHFFFAOYSA-N 2 0 328.420 1.384 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N[C@@H]2CCC[NH2+]CC2)C1 ZINC000518491538 448684036 /nfs/dbraw/zinc/68/40/36/448684036.db2.gz NXNIRDNRSYUOBE-DLBZAZTESA-N 2 0 330.476 1.938 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000579211939 448740351 /nfs/dbraw/zinc/74/03/51/448740351.db2.gz BPMFTVBQLMYXKV-IAGOWNOFSA-N 2 0 342.443 1.014 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000567750505 448751305 /nfs/dbraw/zinc/75/13/05/448751305.db2.gz ZVCFVVFFKHZTOC-MSOLQXFVSA-N 2 0 333.476 1.940 20 0 EDADRP CCCOc1ccc(OCCN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1 ZINC000567753804 448753035 /nfs/dbraw/zinc/75/30/35/448753035.db2.gz HVAVZSLJJWWUCQ-WMLDXEAASA-N 2 0 333.432 1.098 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC000592219286 448753393 /nfs/dbraw/zinc/75/33/93/448753393.db2.gz IRCNOSVCZVWILF-CEXWTWQISA-N 2 0 348.535 1.249 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)Cc2ccc(F)cc2)ccn1 ZINC000573954014 448756520 /nfs/dbraw/zinc/75/65/20/448756520.db2.gz JQMSEVSZQPWNDM-GOSISDBHSA-N 2 0 347.434 1.854 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579493375 448809725 /nfs/dbraw/zinc/80/97/25/448809725.db2.gz HIMPUOASKWDCNS-OALUTQOASA-N 2 0 345.487 1.472 20 0 EDADRP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568058052 448809755 /nfs/dbraw/zinc/80/97/55/448809755.db2.gz RPKFUBXDQQMIAX-KBAYOESNSA-N 2 0 346.475 1.409 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)[NH+]2CCCC2)c1 ZINC000574273367 448833150 /nfs/dbraw/zinc/83/31/50/448833150.db2.gz NZZJVTQKKSAOQK-JLSDUUJJSA-N 2 0 331.460 1.946 20 0 EDADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000579687419 448853155 /nfs/dbraw/zinc/85/31/55/448853155.db2.gz IZIHJGPIXZUPRA-HZPDHXFCSA-N 2 0 333.480 1.627 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592567135 448904512 /nfs/dbraw/zinc/90/45/12/448904512.db2.gz VYICHKWRXQIIIM-YOEHRIQHSA-N 2 0 345.491 1.569 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)c21 ZINC000592540771 448888967 /nfs/dbraw/zinc/88/89/67/448888967.db2.gz MSZLOHLCVREGFI-LLVKDONJSA-N 2 0 326.404 1.012 20 0 EDADRP CS[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1[NH+]1CCCC1 ZINC000547950223 448953303 /nfs/dbraw/zinc/95/33/03/448953303.db2.gz OTZLCIZLJAUIEQ-DLBZAZTESA-N 2 0 348.516 1.946 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC[NH2+]1 ZINC000569122380 448967350 /nfs/dbraw/zinc/96/73/50/448967350.db2.gz GQJKJJPHCNVIBA-ZVZYQTTQSA-N 2 0 341.459 1.058 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000569137571 448969221 /nfs/dbraw/zinc/96/92/21/448969221.db2.gz FGVKBQPORVXPFT-UHFFFAOYSA-N 2 0 337.468 1.016 20 0 EDADRP COCc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000580366473 448946136 /nfs/dbraw/zinc/94/61/36/448946136.db2.gz DQHGORTWJKNHGN-UHFFFAOYSA-N 2 0 342.447 1.642 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@@H](C)C1 ZINC000575000762 449011147 /nfs/dbraw/zinc/01/11/47/449011147.db2.gz MYBFGHNDMFFVDB-IRXDYDNUSA-N 2 0 339.524 1.972 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)c21 ZINC000592956225 449076556 /nfs/dbraw/zinc/07/65/56/449076556.db2.gz DXKVYLBXIQSWNF-LSDHHAIUSA-N 2 0 331.464 1.420 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958179 449080402 /nfs/dbraw/zinc/08/04/02/449080402.db2.gz VFNQGGQTQQICNR-RBSFLKMASA-N 2 0 333.480 1.569 20 0 EDADRP C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[NH+]1CCC(C)CC1 ZINC000592958677 449081867 /nfs/dbraw/zinc/08/18/67/449081867.db2.gz ZWTVOIPCQUDDCC-HUUCEWRRSA-N 2 0 333.480 1.569 20 0 EDADRP C[NH+](C)CCOc1ccc(CNc2cnn(CC[NH+](C)C)c2)cc1 ZINC000589651097 449046968 /nfs/dbraw/zinc/04/69/68/449046968.db2.gz CUBIVFGZFCASII-UHFFFAOYSA-N 2 0 331.464 1.997 20 0 EDADRP Cc1cnccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000530224919 449085416 /nfs/dbraw/zinc/08/54/16/449085416.db2.gz NFZTZPNKRLYWPV-IRXDYDNUSA-N 2 0 329.448 1.110 20 0 EDADRP Cc1nc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[nH]c1C ZINC000582312378 449066005 /nfs/dbraw/zinc/06/60/05/449066005.db2.gz WDWUQGASXSPWMS-UHFFFAOYSA-N 2 0 335.496 1.743 20 0 EDADRP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530221322 449086776 /nfs/dbraw/zinc/08/67/76/449086776.db2.gz DJWKCTJKZOYLIA-XDNAFOTISA-N 2 0 329.444 1.560 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000592964868 449088118 /nfs/dbraw/zinc/08/81/18/449088118.db2.gz OKJVZXJRZZBNBN-GJZGRUSLSA-N 2 0 331.464 1.277 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900398 449241202 /nfs/dbraw/zinc/24/12/02/449241202.db2.gz FDUGLMCEOYJWHP-ZFWWWQNUSA-N 2 0 338.496 1.711 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945319 449271563 /nfs/dbraw/zinc/27/15/63/449271563.db2.gz LHQKAPJMZNLIPP-IRXDYDNUSA-N 2 0 335.517 1.842 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)CC1 ZINC000595949499 449275591 /nfs/dbraw/zinc/27/55/91/449275591.db2.gz WCTCLLVUIOZMDO-QGZVFWFLSA-N 2 0 334.508 1.288 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602471483 449618428 /nfs/dbraw/zinc/61/84/28/449618428.db2.gz NHDCUSUIPKFDJF-NPMXOYFQSA-N 2 0 343.537 1.258 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000602573605 449681889 /nfs/dbraw/zinc/68/18/89/449681889.db2.gz SQDNBSGZKBGBFW-AWEZNQCLSA-N 2 0 329.510 1.170 20 0 EDADRP CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617551370 449682586 /nfs/dbraw/zinc/68/25/86/449682586.db2.gz PZEFUNXPSUFVBK-HZPDHXFCSA-N 2 0 325.522 1.757 20 0 EDADRP COC(=O)CC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000599026203 449703293 /nfs/dbraw/zinc/70/32/93/449703293.db2.gz CUPJUTVLYKFBRV-JCYILVPMSA-N 2 0 326.481 1.935 20 0 EDADRP C[C@@]1(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]C1 ZINC000612923211 449942551 /nfs/dbraw/zinc/94/25/51/449942551.db2.gz GZBZHEWKLGJIEB-YXJHDRRASA-N 2 0 334.439 1.570 20 0 EDADRP C[C@@]1(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000612874941 449921393 /nfs/dbraw/zinc/92/13/93/449921393.db2.gz IAVBHSZDCVUHMV-PKOBYXMFSA-N 2 0 330.476 1.602 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000595311524 450024113 /nfs/dbraw/zinc/02/41/13/450024113.db2.gz HLRGNXPGMJFDPI-QGZVFWFLSA-N 2 0 325.460 1.842 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)C[C@@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000615273469 450038393 /nfs/dbraw/zinc/03/83/93/450038393.db2.gz SJZNDINIKUGLDW-IBGZPJMESA-N 2 0 344.503 1.385 20 0 EDADRP Cc1cn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1C(F)(F)F ZINC000625286695 450273916 /nfs/dbraw/zinc/27/39/16/450273916.db2.gz KEQPRKNVTUXAEJ-UHFFFAOYSA-N 2 0 349.401 1.162 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000613855219 450338757 /nfs/dbraw/zinc/33/87/57/450338757.db2.gz WIYDTJRTSKCHGX-SFHVURJKSA-N 2 0 326.481 1.889 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000623073345 450391657 /nfs/dbraw/zinc/39/16/57/450391657.db2.gz YGQVDYYHYHLIKS-UHFFFAOYSA-N 2 0 330.392 1.024 20 0 EDADRP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478905 450498147 /nfs/dbraw/zinc/49/81/47/450498147.db2.gz JYQSTJDBTKGRSR-MOPGFXCFSA-N 2 0 349.519 1.841 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(C)COC1 ZINC000625790455 450508516 /nfs/dbraw/zinc/50/85/16/450508516.db2.gz AJDNONMEAVBFJM-AEFFLSMTSA-N 2 0 345.487 1.734 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000625838252 450518782 /nfs/dbraw/zinc/51/87/82/450518782.db2.gz WEXNQYQATDJWOH-UHFFFAOYSA-N 2 0 349.479 1.268 20 0 EDADRP CN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000623467711 450526580 /nfs/dbraw/zinc/52/65/80/450526580.db2.gz UQJZSROSFULQIV-CYBMUJFWSA-N 2 0 345.534 1.831 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000623718753 450571449 /nfs/dbraw/zinc/57/14/49/450571449.db2.gz YZAHZTKNFJEAFB-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNc1nc(N)[nH+]c(N)n1 ZINC000623862307 450618280 /nfs/dbraw/zinc/61/82/80/450618280.db2.gz QSGBYEWFWUMAPA-GFCCVEGCSA-N 2 0 327.436 1.105 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCS(=O)(=O)NC)CC1)CC1CC1 ZINC000621272089 450647242 /nfs/dbraw/zinc/64/72/42/450647242.db2.gz CBJLLCBQNROTFR-UHFFFAOYSA-N 2 0 331.526 1.370 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627332590 450654451 /nfs/dbraw/zinc/65/44/51/450654451.db2.gz DOOCPYCSKTUPMY-OWCLPIDISA-N 2 0 338.496 1.014 20 0 EDADRP CC(C)(C(=O)NCc1ccc(CN2CCOCC2)cc1)c1c[nH]cn1 ZINC000621289950 450660750 /nfs/dbraw/zinc/66/07/50/450660750.db2.gz VZRMSBQKCVEOSI-UHFFFAOYSA-N 2 0 342.443 1.836 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000629419343 450664847 /nfs/dbraw/zinc/66/48/47/450664847.db2.gz PAUFWGSFNQOBTR-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[NH2+]1 ZINC000627303622 450634303 /nfs/dbraw/zinc/63/43/03/450634303.db2.gz XPQWLFWKSCSYFB-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CCOc2ccccc21 ZINC000629568685 450740934 /nfs/dbraw/zinc/74/09/34/450740934.db2.gz LCSGYWAAIHDJIR-HOCLYGCPSA-N 2 0 335.448 1.183 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000629568749 450741298 /nfs/dbraw/zinc/74/12/98/450741298.db2.gz WKBPFCFMXYKSKO-KBPBESRZSA-N 2 0 325.428 1.559 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743792 450745116 /nfs/dbraw/zinc/74/51/16/450745116.db2.gz BYJJBFALFBLEGJ-YYQUZTFQSA-N 2 0 341.521 1.452 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590620 450752623 /nfs/dbraw/zinc/75/26/23/450752623.db2.gz ZWTRRFOISNKRNR-WBVHZDCISA-N 2 0 325.497 1.628 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000621654368 450817071 /nfs/dbraw/zinc/81/70/71/450817071.db2.gz XUDCDTUBRGMVHE-MRXNPFEDSA-N 2 0 330.476 1.942 20 0 EDADRP C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000631813806 450793255 /nfs/dbraw/zinc/79/32/55/450793255.db2.gz ZMXZMIICCRUFSH-INIZCTEOSA-N 2 0 331.526 1.512 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H](C)[NH+](C)C)CC2)c1 ZINC000635267700 450795627 /nfs/dbraw/zinc/79/56/27/450795627.db2.gz RFYKLAXRJDWUJV-GOSISDBHSA-N 2 0 346.519 1.964 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)C1CCC1 ZINC000629974707 450928236 /nfs/dbraw/zinc/92/82/36/450928236.db2.gz KZPLWQILOFVCPU-IEBWSBKVSA-N 2 0 345.487 1.470 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000626854118 450962447 /nfs/dbraw/zinc/96/24/47/450962447.db2.gz FASSATOQYXGFDN-AWEZNQCLSA-N 2 0 346.475 1.792 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000626920956 451004923 /nfs/dbraw/zinc/00/49/23/451004923.db2.gz DOQXLNIJYMGJQZ-OAHLLOKOSA-N 2 0 338.452 1.294 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000626929411 451012470 /nfs/dbraw/zinc/01/24/70/451012470.db2.gz MPZOWEUTPWLIIM-IMJJTQAJSA-N 2 0 326.485 1.173 20 0 EDADRP CC[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000626934596 451016294 /nfs/dbraw/zinc/01/62/94/451016294.db2.gz JSYLMSVLJWMNNK-JCGIZDLHSA-N 2 0 330.476 1.873 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1 ZINC000626933993 451016922 /nfs/dbraw/zinc/01/69/22/451016922.db2.gz RKVXASLOFVSNFW-QGZVFWFLSA-N 2 0 334.464 1.359 20 0 EDADRP CCN(CC[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000626935883 451017648 /nfs/dbraw/zinc/01/76/48/451017648.db2.gz PHUQQTKGEKFQLU-UHFFFAOYSA-N 2 0 333.480 1.189 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000626939217 451019915 /nfs/dbraw/zinc/01/99/15/451019915.db2.gz WHGQTHQQFSBOQB-SCRDCRAPSA-N 2 0 348.413 1.639 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000626963591 451037968 /nfs/dbraw/zinc/03/79/68/451037968.db2.gz TXUSSPONIZMTPP-HUUCEWRRSA-N 2 0 336.436 1.013 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000635498648 450993501 /nfs/dbraw/zinc/99/35/01/450993501.db2.gz XYAPZRYIRQBCLX-QGZVFWFLSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000626975100 451043937 /nfs/dbraw/zinc/04/39/37/451043937.db2.gz NSKWZQYKLBHUKA-OAHLLOKOSA-N 2 0 334.464 1.314 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635559865 451057202 /nfs/dbraw/zinc/05/72/02/451057202.db2.gz WGMOFRDYJVLBKB-UHFFFAOYSA-N 2 0 336.524 1.252 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000626994871 451060971 /nfs/dbraw/zinc/06/09/71/451060971.db2.gz KWFKTNKRGUAQKV-WMZOPIPTSA-N 2 0 348.491 1.656 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000627004279 451069340 /nfs/dbraw/zinc/06/93/40/451069340.db2.gz HYQSPMKAAQIGNL-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627010454 451074388 /nfs/dbraw/zinc/07/43/88/451074388.db2.gz OSVCUQHGEZAXGR-MXSMSXNCSA-N 2 0 330.476 1.947 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635581185 451081195 /nfs/dbraw/zinc/08/11/95/451081195.db2.gz DTQBSHWWKMVVNC-YJBOKZPZSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(NC[C@@H]1CSCCN1Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000627019777 451083813 /nfs/dbraw/zinc/08/38/13/451083813.db2.gz PNDMHOBCGCPVON-HZPDHXFCSA-N 2 0 334.489 1.265 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000627034109 451093031 /nfs/dbraw/zinc/09/30/31/451093031.db2.gz YMNSVJMEFZIHRV-RDJZCZTQSA-N 2 0 336.480 1.555 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000622185597 451093674 /nfs/dbraw/zinc/09/36/74/451093674.db2.gz JCNPWVPCYDGKLA-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)NC2(C[NH3+])CCOCC2)ccc1F ZINC000626979572 451048841 /nfs/dbraw/zinc/04/88/41/451048841.db2.gz DAAPSQRALPKEAN-UHFFFAOYSA-N 2 0 338.427 1.194 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000627167720 451161710 /nfs/dbraw/zinc/16/17/10/451161710.db2.gz MAUCLXZIQDGEDB-LSDHHAIUSA-N 2 0 333.436 1.062 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3ccccc3n2)CC1 ZINC000628213351 451184707 /nfs/dbraw/zinc/18/47/07/451184707.db2.gz HRRGVPUNQHVTSF-INIZCTEOSA-N 2 0 327.476 1.993 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C[NH2+]1 ZINC000627210521 451189016 /nfs/dbraw/zinc/18/90/16/451189016.db2.gz RBWMSIIEBJKKCU-ZTFGCOKTSA-N 2 0 346.475 1.193 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238090 451203522 /nfs/dbraw/zinc/20/35/22/451203522.db2.gz AGWBWNVEIYJIGO-RYQLBKOJSA-N 2 0 345.491 1.828 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085285 451249364 /nfs/dbraw/zinc/24/93/64/451249364.db2.gz XAUOHQOZFANAOR-RKVPGOIHSA-N 2 0 325.497 1.615 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085520 451250057 /nfs/dbraw/zinc/25/00/57/451250057.db2.gz MEVRWJHNXTYNPW-ICSRJNTNSA-N 2 0 345.487 1.423 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085519 451250267 /nfs/dbraw/zinc/25/02/67/451250267.db2.gz MEVRWJHNXTYNPW-AZUAARDMSA-N 2 0 345.487 1.423 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638104351 451272441 /nfs/dbraw/zinc/27/24/41/451272441.db2.gz YJMRGHSRPWWURQ-HKUYNNGSSA-N 2 0 349.475 1.053 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000638120929 451289631 /nfs/dbraw/zinc/28/96/31/451289631.db2.gz AZBOWWYCGHDRDS-JLSDUUJJSA-N 2 0 333.476 1.754 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000638133592 451305199 /nfs/dbraw/zinc/30/51/99/451305199.db2.gz JDBZYRLBOLLEGM-LTCOOKNTSA-N 2 0 331.460 1.518 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000638134326 451307018 /nfs/dbraw/zinc/30/70/18/451307018.db2.gz NTQSOXDFRMHKAB-GOSISDBHSA-N 2 0 349.475 1.701 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137392 451311295 /nfs/dbraw/zinc/31/12/95/451311295.db2.gz JSKUKARMWCNEEZ-RTBURBONSA-N 2 0 342.487 1.529 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638136987 451311499 /nfs/dbraw/zinc/31/14/99/451311499.db2.gz DMHQIXDMVXIBGV-QZTJIDSGSA-N 2 0 328.460 1.139 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638137939 451313780 /nfs/dbraw/zinc/31/37/80/451313780.db2.gz RBOVJVZFVDMKPX-SFHVURJKSA-N 2 0 346.519 1.699 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635883058 451329985 /nfs/dbraw/zinc/32/99/85/451329985.db2.gz UKSHHLLJGKZJPQ-UHFFFAOYSA-N 2 0 344.459 1.615 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638261324 451385533 /nfs/dbraw/zinc/38/55/33/451385533.db2.gz DVZWHPWPBZQDPU-AEFFLSMTSA-N 2 0 327.472 1.723 20 0 EDADRP CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000638262255 451385789 /nfs/dbraw/zinc/38/57/89/451385789.db2.gz MEBONNGXIZTCMB-UHFFFAOYSA-N 2 0 344.503 1.710 20 0 EDADRP CO[C@]1(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOC1 ZINC000638273407 451392114 /nfs/dbraw/zinc/39/21/14/451392114.db2.gz JEIBPKWHACROJZ-OALUTQOASA-N 2 0 333.476 1.370 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000640563903 451409422 /nfs/dbraw/zinc/40/94/22/451409422.db2.gz QKADWIAGPZNJQJ-INIZCTEOSA-N 2 0 347.463 1.329 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)c2cnn(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC000630804627 451411993 /nfs/dbraw/zinc/41/19/93/451411993.db2.gz SWSILLHOOKFWJR-YJBOKZPZSA-N 2 0 335.496 1.685 20 0 EDADRP C[N@H+](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346303 451449523 /nfs/dbraw/zinc/44/95/23/451449523.db2.gz HSBNHPQGAGIQAL-HOTGVXAUSA-N 2 0 325.497 1.709 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000638353609 451453820 /nfs/dbraw/zinc/45/38/20/451453820.db2.gz XJQGYXKWJBYKHV-UHFFFAOYSA-N 2 0 349.519 1.615 20 0 EDADRP COc1cc(C[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccn1 ZINC000638352967 451453900 /nfs/dbraw/zinc/45/39/00/451453900.db2.gz POSCHEWYFLOLQI-FUHWJXTLSA-N 2 0 334.508 1.883 20 0 EDADRP CO[C@@]1(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CCOC1 ZINC000638368260 451466081 /nfs/dbraw/zinc/46/60/81/451466081.db2.gz UJOXEMUFXAZOHM-LJQANCHMSA-N 2 0 333.476 1.329 20 0 EDADRP CO[C@@]1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCOC1 ZINC000638386610 451479386 /nfs/dbraw/zinc/47/93/86/451479386.db2.gz OKKYXDNPDULGDM-HXUWFJFHSA-N 2 0 347.503 1.984 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1(O)CCOCC1 ZINC000634706527 451484282 /nfs/dbraw/zinc/48/42/82/451484282.db2.gz RASJVHRAVILYGR-GOSISDBHSA-N 2 0 340.508 1.666 20 0 EDADRP Cc1ccc(C(=O)NCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638407611 451495445 /nfs/dbraw/zinc/49/54/45/451495445.db2.gz BXNXYJOHRXOKCZ-UHFFFAOYSA-N 2 0 333.476 1.550 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000638340826 451444899 /nfs/dbraw/zinc/44/48/99/451444899.db2.gz GHZGUMCEJHGLQG-QZTJIDSGSA-N 2 0 345.491 1.108 20 0 EDADRP CCOC(C)(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000630866132 451448498 /nfs/dbraw/zinc/44/84/98/451448498.db2.gz KCHWDCPWSDHFFK-UHFFFAOYSA-N 2 0 334.464 1.525 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638490295 451542702 /nfs/dbraw/zinc/54/27/02/451542702.db2.gz UQWRURJQAXPKBA-ROUUACIJSA-N 2 0 330.476 1.750 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000638525682 451558443 /nfs/dbraw/zinc/55/84/43/451558443.db2.gz BCGXKDVEOCIIMR-INIZCTEOSA-N 2 0 344.459 1.306 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638555576 451574796 /nfs/dbraw/zinc/57/47/96/451574796.db2.gz YQJJQRWAAGINLA-IAGOWNOFSA-N 2 0 334.508 1.884 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@]12CCCO2 ZINC000638588786 451592509 /nfs/dbraw/zinc/59/25/09/451592509.db2.gz NPTKZSKONWBCGN-QXCFHYIPSA-N 2 0 337.508 1.471 20 0 EDADRP C[N@H+](CCCC[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)C1CC1 ZINC000631156190 451614936 /nfs/dbraw/zinc/61/49/36/451614936.db2.gz WLHHRODKYJNYEP-UHFFFAOYSA-N 2 0 345.896 1.951 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000638640379 451625445 /nfs/dbraw/zinc/62/54/45/451625445.db2.gz ARIUWKQVWVGDMV-MSOLQXFVSA-N 2 0 344.503 1.764 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)COCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000638663981 451639516 /nfs/dbraw/zinc/63/95/16/451639516.db2.gz KFBDYJBVUDVWIR-CYBMUJFWSA-N 2 0 334.247 1.688 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672529 451643819 /nfs/dbraw/zinc/64/38/19/451643819.db2.gz VFUNDQCDAMETTO-OGWOLHLISA-N 2 0 345.443 1.640 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000636988485 451663586 /nfs/dbraw/zinc/66/35/86/451663586.db2.gz JYIHDXWNAKHCOW-NVXWUHKLSA-N 2 0 334.464 1.739 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000637001851 451672423 /nfs/dbraw/zinc/67/24/23/451672423.db2.gz OPSTWPMZZXGLJZ-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000638834528 451705036 /nfs/dbraw/zinc/70/50/36/451705036.db2.gz HDAWNXHYHVOCIF-QEEHTWDDSA-N 2 0 327.472 1.870 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000638727101 451667611 /nfs/dbraw/zinc/66/76/11/451667611.db2.gz DPVKDOFFAIXDMB-GOSISDBHSA-N 2 0 345.487 1.832 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)[NH+](C)C)cc1 ZINC000636473123 451725992 /nfs/dbraw/zinc/72/59/92/451725992.db2.gz RPWJIIJIKZYSOZ-ROUUACIJSA-N 2 0 348.491 1.218 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000638974529 451744362 /nfs/dbraw/zinc/74/43/62/451744362.db2.gz AABCDDRLRJCCBM-YZVOILCLSA-N 2 0 337.508 1.852 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000639002132 451750742 /nfs/dbraw/zinc/75/07/42/451750742.db2.gz XNFBALPXWGGWJH-HKUYNNGSSA-N 2 0 331.460 1.441 20 0 EDADRP CO[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000639171817 451784179 /nfs/dbraw/zinc/78/41/79/451784179.db2.gz DHPZQNPGBOOSSU-RTBURBONSA-N 2 0 339.524 1.528 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccc2oc(=O)n(C)c2c1)CC[NH+](C)C ZINC000639186817 451788166 /nfs/dbraw/zinc/78/81/66/451788166.db2.gz TYEBIXBRYHGKHG-UHFFFAOYSA-N 2 0 334.464 1.447 20 0 EDADRP C[N@H+](CCCNS(=O)(=O)CCn1ccnc1)Cc1ccccc1 ZINC000641262113 451797644 /nfs/dbraw/zinc/79/76/44/451797644.db2.gz RWXYRRSUMIXIBI-UHFFFAOYSA-N 2 0 336.461 1.325 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)CCCCCC1 ZINC000642220576 451840510 /nfs/dbraw/zinc/84/05/10/451840510.db2.gz OOWPJTLZPYWWAF-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000641323706 451847403 /nfs/dbraw/zinc/84/74/03/451847403.db2.gz NTWHFFISFNHJHM-INIZCTEOSA-N 2 0 349.500 1.437 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)nc2)CC1 ZINC000653346150 451857349 /nfs/dbraw/zinc/85/73/49/451857349.db2.gz KROJEMJBDPZFFR-CVEARBPZSA-N 2 0 329.448 1.303 20 0 EDADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000637469932 451887251 /nfs/dbraw/zinc/88/72/51/451887251.db2.gz GQKMQPXRSXYOOB-SJORKVTESA-N 2 0 338.496 1.149 20 0 EDADRP OCCCOC1CC[NH+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000639514212 451917040 /nfs/dbraw/zinc/91/70/40/451917040.db2.gz COOMGPSSOOBSBQ-FQEVSTJZSA-N 2 0 348.487 1.487 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000646914958 451933621 /nfs/dbraw/zinc/93/36/21/451933621.db2.gz HAVJSBBHNQQXGH-IEBWSBKVSA-N 2 0 342.487 1.605 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000649276627 451947526 /nfs/dbraw/zinc/94/75/26/451947526.db2.gz SXDIRAHPXJSLMD-MRXNPFEDSA-N 2 0 346.475 1.695 20 0 EDADRP COCCC1(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC[NH2+]CC1 ZINC000649284671 451957899 /nfs/dbraw/zinc/95/78/99/451957899.db2.gz OVFDKRXESFZULW-HZPDHXFCSA-N 2 0 341.496 1.008 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649290410 451966259 /nfs/dbraw/zinc/96/62/59/451966259.db2.gz FIDCIWULCGVBSU-ZACQAIPSSA-N 2 0 331.460 1.774 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(COC)CCC[NH2+]2)c1 ZINC000649289990 451966299 /nfs/dbraw/zinc/96/62/99/451966299.db2.gz LSKZNUMHVKJYDK-LJQANCHMSA-N 2 0 333.476 1.913 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649299217 451976032 /nfs/dbraw/zinc/97/60/32/451976032.db2.gz AKUZKKFZGAQPES-IEBWSBKVSA-N 2 0 331.460 1.536 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)COC1CCC([NH3+])CC1 ZINC000649299375 451976923 /nfs/dbraw/zinc/97/69/23/451976923.db2.gz NVHLCJKETGLNIA-UHFFFAOYSA-N 2 0 335.448 1.982 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@]1(N)CC[N@@H+](C)C1 ZINC000649312943 451991529 /nfs/dbraw/zinc/99/15/29/451991529.db2.gz NJPYCLGQKZZISC-GOSISDBHSA-N 2 0 348.516 1.515 20 0 EDADRP COC[C@@]1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649332112 452013292 /nfs/dbraw/zinc/01/32/92/452013292.db2.gz XXLPEDPPFZDBQN-UYAOXDASSA-N 2 0 345.487 1.736 20 0 EDADRP C[N@H+](CCNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cc1ccc(F)cc1 ZINC000649344203 452025103 /nfs/dbraw/zinc/02/51/03/452025103.db2.gz DMFCEGRKGSMEDF-CQSZACIVSA-N 2 0 329.366 1.619 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649346064 452029134 /nfs/dbraw/zinc/02/91/34/452029134.db2.gz YDXXEEZIWAXGRC-CVEARBPZSA-N 2 0 347.459 1.582 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352709 452036866 /nfs/dbraw/zinc/03/68/66/452036866.db2.gz GJCKUDKGPVEVBX-PKOBYXMFSA-N 2 0 342.487 1.112 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000649371072 452047257 /nfs/dbraw/zinc/04/72/57/452047257.db2.gz IOBIAPLMOQUXKC-SJORKVTESA-N 2 0 332.492 1.749 20 0 EDADRP C[NH+](C)CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000643216715 452076051 /nfs/dbraw/zinc/07/60/51/452076051.db2.gz WDWKSQPBPCLZRI-UHFFFAOYSA-N 2 0 328.526 1.599 20 0 EDADRP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418299 452081534 /nfs/dbraw/zinc/08/15/34/452081534.db2.gz YRIORYBEKUWSLV-ZIAGYGMSSA-N 2 0 336.505 1.643 20 0 EDADRP O=C(NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637797737 452087906 /nfs/dbraw/zinc/08/79/06/452087906.db2.gz GYGKHGPKQBWZAT-QUCCMNQESA-N 2 0 343.471 1.393 20 0 EDADRP C[NH+]1CCN(Cc2cccc(-c3nc([C@H]4CCC[NH2+]4)no3)c2)CC1 ZINC000647151425 452091281 /nfs/dbraw/zinc/09/12/81/452091281.db2.gz FXKZHZGEGDRQDZ-MRXNPFEDSA-N 2 0 327.432 1.909 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccn(C)c(=O)c3)CC2)CC1 ZINC000643255267 452099650 /nfs/dbraw/zinc/09/96/50/452099650.db2.gz VUAWICADRQBHJX-UHFFFAOYSA-N 2 0 332.492 1.377 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637822986 452102770 /nfs/dbraw/zinc/10/27/70/452102770.db2.gz CCXHCMCAHYDLBO-IEZWGBDMSA-N 2 0 331.460 1.379 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(c2nccnc2N2CC[C@H](C[NH+](C)C)C2)C1 ZINC000645040444 452128626 /nfs/dbraw/zinc/12/86/26/452128626.db2.gz OYMIBMJYFHYTQL-IYBDPMFKSA-N 2 0 332.496 1.252 20 0 EDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000647293596 452169101 /nfs/dbraw/zinc/16/91/01/452169101.db2.gz RATDKYRGGZQDGX-KBPBESRZSA-N 2 0 329.441 1.069 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000649661430 452187431 /nfs/dbraw/zinc/18/74/31/452187431.db2.gz CERPDKLZDHMZEV-XLIONFOSSA-N 2 0 331.504 1.895 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645163181 452187865 /nfs/dbraw/zinc/18/78/65/452187865.db2.gz ZHFCQWWAYWBAKF-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645164340 452189694 /nfs/dbraw/zinc/18/96/94/452189694.db2.gz JLJUSQWULZKBCV-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP COC1CCN(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000643460495 452233315 /nfs/dbraw/zinc/23/33/15/452233315.db2.gz ROJZCLNINKMPRR-AZUAARDMSA-N 2 0 345.487 1.943 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647537780 452272433 /nfs/dbraw/zinc/27/24/33/452272433.db2.gz JHJQYPPCVIAVHX-UHFFFAOYSA-N 2 0 347.507 1.580 20 0 EDADRP CC1(C)[C@H]([NH2+]CCN(Cc2ccccc2)S(C)(=O)=O)C[C@@H]1[NH3+] ZINC000641800632 452275964 /nfs/dbraw/zinc/27/59/64/452275964.db2.gz CCCDAXZQYYFZSV-LSDHHAIUSA-N 2 0 325.478 1.164 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000659444408 452292736 /nfs/dbraw/zinc/29/27/36/452292736.db2.gz HJDCTQOKEHFFBT-HNNXBMFYSA-N 2 0 348.491 1.814 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659444569 452293801 /nfs/dbraw/zinc/29/38/01/452293801.db2.gz KJUAEUGQSNGUQP-UHFFFAOYSA-N 2 0 332.448 1.178 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663578828 452302861 /nfs/dbraw/zinc/30/28/61/452302861.db2.gz OKOMYUTZKVUGNR-INIZCTEOSA-N 2 0 339.528 1.184 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049007 452316750 /nfs/dbraw/zinc/31/67/50/452316750.db2.gz RKMHGXSKJQFMCG-RTBURBONSA-N 2 0 341.455 1.984 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000638050644 452324842 /nfs/dbraw/zinc/32/48/42/452324842.db2.gz QJCZMTMWRVMMQW-MRXNPFEDSA-N 2 0 325.416 1.502 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)[C@H](C)CCO)CC1 ZINC000649866540 452325432 /nfs/dbraw/zinc/32/54/32/452325432.db2.gz VRVBJUPTKHTPOU-GOSISDBHSA-N 2 0 347.503 1.732 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000657573529 452342249 /nfs/dbraw/zinc/34/22/49/452342249.db2.gz PKMWNOGZOMGIEI-SFHVURJKSA-N 2 0 347.551 1.908 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652163137 452357837 /nfs/dbraw/zinc/35/78/37/452357837.db2.gz ARSMWYZDWPVARI-ULQDDVLXSA-N 2 0 340.512 1.646 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638070803 452377821 /nfs/dbraw/zinc/37/78/21/452377821.db2.gz AONMVVLRAJTBMS-ZWKOTPCHSA-N 2 0 332.492 1.246 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659534480 452393878 /nfs/dbraw/zinc/39/38/78/452393878.db2.gz AJWLAXTZIAFUND-MSOLQXFVSA-N 2 0 345.491 1.863 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000659544826 452403647 /nfs/dbraw/zinc/40/36/47/452403647.db2.gz XZCNQSWHLXAAKC-VJUNAUMWSA-N 2 0 334.439 1.711 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000645434676 452405452 /nfs/dbraw/zinc/40/54/52/452405452.db2.gz QWZPTCAQWIUOQM-GOSISDBHSA-N 2 0 344.503 1.753 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659554382 452411091 /nfs/dbraw/zinc/41/10/91/452411091.db2.gz MQZHWIZLCCLWES-MSOLQXFVSA-N 2 0 345.491 1.720 20 0 EDADRP O=C(C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000640095720 452419026 /nfs/dbraw/zinc/41/90/26/452419026.db2.gz PYUYQPBMAOJAIF-SQNIBIBYSA-N 2 0 335.492 1.355 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000659567928 452423073 /nfs/dbraw/zinc/42/30/73/452423073.db2.gz BLZNNUWMPFHPIG-ZOBUZTSGSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567871 452424218 /nfs/dbraw/zinc/42/42/18/452424218.db2.gz ZMWREKVEIWSYQX-QGZVFWFLSA-N 2 0 331.464 1.426 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654377618 452430726 /nfs/dbraw/zinc/43/07/26/452430726.db2.gz QTUHYJSQKWWCBB-IRXDYDNUSA-N 2 0 338.496 1.415 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000663700288 452439271 /nfs/dbraw/zinc/43/92/71/452439271.db2.gz URQXMWILEVKXSU-UHFFFAOYSA-N 2 0 340.537 1.551 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000659588227 452443622 /nfs/dbraw/zinc/44/36/22/452443622.db2.gz WSWYIXKUKSNAAZ-COXVUDFISA-N 2 0 334.464 1.519 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000659587816 452443889 /nfs/dbraw/zinc/44/38/89/452443889.db2.gz JDDGMFXWEXAALP-KBAYOESNSA-N 2 0 346.475 1.534 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC[NH+]3CCCC3)CC2)CC1 ZINC000654407185 452457635 /nfs/dbraw/zinc/45/76/35/452457635.db2.gz HZWRVYWBJSSDFX-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000659633021 452497332 /nfs/dbraw/zinc/49/73/32/452497332.db2.gz AHWHXYWAYGWYEW-QFBILLFUSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000659646100 452507977 /nfs/dbraw/zinc/50/79/77/452507977.db2.gz LEPWELIEWGRKLW-GFCCVEGCSA-N 2 0 328.407 1.646 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345475 452520787 /nfs/dbraw/zinc/52/07/87/452520787.db2.gz CKMALHVSCJAZFT-IPMKNSEASA-N 2 0 345.487 1.863 20 0 EDADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(CN2CCOCC2)c1 ZINC000647784399 452520967 /nfs/dbraw/zinc/52/09/67/452520967.db2.gz SPNSRVPUPKMPGT-VAMGGRTRSA-N 2 0 329.488 1.997 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788483 452522378 /nfs/dbraw/zinc/52/23/78/452522378.db2.gz KDSGOWGICWYCQK-VNQPRFMTSA-N 2 0 337.489 1.415 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346918 452523107 /nfs/dbraw/zinc/52/31/07/452523107.db2.gz LJRYJSLRHVRYKW-LJIGWXMPSA-N 2 0 325.497 1.898 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347410 452523851 /nfs/dbraw/zinc/52/38/51/452523851.db2.gz AHTXTUBZFCVOGZ-WMEZAQDKSA-N 2 0 349.519 1.994 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647798071 452527942 /nfs/dbraw/zinc/52/79/42/452527942.db2.gz KVFSRYNQJRKUDY-VIPLHTEESA-N 2 0 348.487 1.975 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655721103 452534961 /nfs/dbraw/zinc/53/49/61/452534961.db2.gz LBQVIGVVZJAHAX-QZTJIDSGSA-N 2 0 327.513 1.576 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000647831841 452565810 /nfs/dbraw/zinc/56/58/10/452565810.db2.gz QGACYGNHRFWDQF-APWZRJJASA-N 2 0 344.503 1.599 20 0 EDADRP C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000663849527 452575389 /nfs/dbraw/zinc/57/53/89/452575389.db2.gz SEXQVRGYQKOMNH-KRWDZBQOSA-N 2 0 341.544 1.290 20 0 EDADRP CN(CCC[NH3+])C(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000659697943 452581881 /nfs/dbraw/zinc/58/18/81/452581881.db2.gz LQRTZEDOMJHOEZ-QGZVFWFLSA-N 2 0 346.475 1.137 20 0 EDADRP COCCOc1cc2c(cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)OCO2 ZINC000655826953 452600005 /nfs/dbraw/zinc/60/00/05/452600005.db2.gz JPBIIBUMOSFWEA-OTVXOJSOSA-N 2 0 336.432 1.870 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCc2c(nnn2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000655830402 452602187 /nfs/dbraw/zinc/60/21/87/452602187.db2.gz WQJFIXXTNXTQKN-GDBMZVCRSA-N 2 0 343.475 1.964 20 0 EDADRP COc1ccc(Cl)cc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000666128450 452626059 /nfs/dbraw/zinc/62/60/59/452626059.db2.gz DXGNKONQTKEWLA-HNNXBMFYSA-N 2 0 327.856 1.047 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000657992434 452666663 /nfs/dbraw/zinc/66/66/63/452666663.db2.gz JXBJRGSLQSESSP-WMZOPIPTSA-N 2 0 328.497 1.909 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655916734 452677214 /nfs/dbraw/zinc/67/72/14/452677214.db2.gz HKAAEWREMXLEOA-AAEUAGOBSA-N 2 0 332.370 1.696 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978141 452724226 /nfs/dbraw/zinc/72/42/26/452724226.db2.gz NFHBKPBQHCPQMW-MUGJNUQGSA-N 3 0 331.504 1.629 20 0 EDADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139678 452747870 /nfs/dbraw/zinc/74/78/70/452747870.db2.gz QXFXBPQCRPZTAU-YOEHRIQHSA-N 2 0 340.489 1.166 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000655970992 452751815 /nfs/dbraw/zinc/75/18/15/452751815.db2.gz PRBPGEHEWHLQRO-PQEBFOHHSA-N 2 0 338.496 1.255 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000648030325 452764891 /nfs/dbraw/zinc/76/48/91/452764891.db2.gz SOCMLJCLAMKVRR-CQSZACIVSA-N 2 0 328.420 1.151 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000654665501 452779000 /nfs/dbraw/zinc/77/90/00/452779000.db2.gz LAUXNFSLMYXGIS-YESZJQIVSA-N 2 0 338.496 1.080 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652677950 452827097 /nfs/dbraw/zinc/82/70/97/452827097.db2.gz MLTLLHQVUNTEOK-OAHLLOKOSA-N 2 0 338.496 1.002 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000648118985 452836133 /nfs/dbraw/zinc/83/61/33/452836133.db2.gz CNBDDKXCVJTNBD-RBSFLKMASA-N 2 0 348.516 1.954 20 0 EDADRP COCCC1(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000648143509 452855949 /nfs/dbraw/zinc/85/59/49/452855949.db2.gz SUKCUGWEHXYHQR-SJORKVTESA-N 2 0 337.508 1.631 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCS(=O)(=O)CC1 ZINC000658357283 452865018 /nfs/dbraw/zinc/86/50/18/452865018.db2.gz SORFIEHTMLORCE-CQSZACIVSA-N 2 0 328.522 1.911 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000648169769 452879951 /nfs/dbraw/zinc/87/99/51/452879951.db2.gz UARKYHXGKCZBEA-XWTMOSNGSA-N 2 0 329.444 1.414 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C2)nn1 ZINC000648177632 452889879 /nfs/dbraw/zinc/88/98/79/452889879.db2.gz KZJGLQGLWDXEAJ-GJZGRUSLSA-N 2 0 348.838 1.254 20 0 EDADRP CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000660028257 452938187 /nfs/dbraw/zinc/93/81/87/452938187.db2.gz UNHRHADFBGEXJR-HNNXBMFYSA-N 2 0 325.478 1.511 20 0 EDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000650764261 452977248 /nfs/dbraw/zinc/97/72/48/452977248.db2.gz UTSXFJAYMRPRGX-AWEZNQCLSA-N 2 0 339.505 1.977 20 0 EDADRP CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664310148 452984933 /nfs/dbraw/zinc/98/49/33/452984933.db2.gz ANUQYWDMEXBLTJ-GDBMZVCRSA-N 2 0 328.526 1.549 20 0 EDADRP Cn1ccnc1CN1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662276623 453002294 /nfs/dbraw/zinc/00/22/94/453002294.db2.gz KLNHCPKIZUXBSI-UHFFFAOYSA-N 2 0 325.460 1.384 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000662293352 453017076 /nfs/dbraw/zinc/01/70/76/453017076.db2.gz QVGVQWVAVWWZPW-QGZVFWFLSA-N 3 0 348.535 1.441 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315412 453033457 /nfs/dbraw/zinc/03/34/57/453033457.db2.gz FGRJMAJEBSNMCK-HZPDHXFCSA-N 2 0 334.464 1.425 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCC1 ZINC000666684517 453064826 /nfs/dbraw/zinc/06/48/26/453064826.db2.gz UGFREZUNTVWNSC-MRXNPFEDSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662387155 453096638 /nfs/dbraw/zinc/09/66/38/453096638.db2.gz BWSQRMWQRJDRQL-HUUCEWRRSA-N 2 0 333.480 1.871 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000644166065 453096632 /nfs/dbraw/zinc/09/66/32/453096632.db2.gz HMENBKHGEKASHC-BFYDXBDKSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662400481 453110679 /nfs/dbraw/zinc/11/06/79/453110679.db2.gz ZAMNCFXEHCPBPU-CQSZACIVSA-N 2 0 333.480 1.681 20 0 EDADRP [NH3+][C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)c1ccccc1 ZINC000662414031 453123060 /nfs/dbraw/zinc/12/30/60/453123060.db2.gz TYDYAHXTJMZNLX-LSDHHAIUSA-N 2 0 328.420 1.023 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434402 453142649 /nfs/dbraw/zinc/14/26/49/453142649.db2.gz BBGWDKMOMFOSBT-ZBFHGGJFSA-N 2 0 332.448 1.320 20 0 EDADRP Cc1noc(C)c1[C@@H](C)CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664511546 453153010 /nfs/dbraw/zinc/15/30/10/453153010.db2.gz NCKPGJNZAAYFSI-ZDUSSCGKSA-N 2 0 339.484 1.578 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000662447520 453154644 /nfs/dbraw/zinc/15/46/44/453154644.db2.gz YNABNVPZCPGWBU-INIZCTEOSA-N 2 0 325.497 1.759 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804538 453157668 /nfs/dbraw/zinc/15/76/68/453157668.db2.gz RTPNHENSYSUSON-QGZVFWFLSA-N 2 0 346.475 1.855 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)C1 ZINC000662452846 453160922 /nfs/dbraw/zinc/16/09/22/453160922.db2.gz PQUAALQKMWGJRM-DLBZAZTESA-N 2 0 331.460 1.516 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662454538 453162385 /nfs/dbraw/zinc/16/23/85/453162385.db2.gz BTABSCQDTDBBQB-IRXDYDNUSA-N 2 0 330.476 1.041 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000662461885 453171087 /nfs/dbraw/zinc/17/10/87/453171087.db2.gz FFSBJFRGUROHPZ-HWOWSKLDSA-N 2 0 345.491 1.823 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662474309 453187380 /nfs/dbraw/zinc/18/73/80/453187380.db2.gz YALFVIQWYQJXSQ-HNNXBMFYSA-N 2 0 331.464 1.435 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662478277 453191004 /nfs/dbraw/zinc/19/10/04/453191004.db2.gz PBFFCWXMQGMENZ-LSDHHAIUSA-N 2 0 331.464 1.435 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)c2cc3c(s2)CC[NH2+]C3)CCSC1 ZINC000662489970 453206906 /nfs/dbraw/zinc/20/69/06/453206906.db2.gz YLOAYVYSCSRIQW-OAHLLOKOSA-N 2 0 325.503 1.561 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000666920219 453242930 /nfs/dbraw/zinc/24/29/30/453242930.db2.gz PZKZVGJLSOVYRD-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277764 453283970 /nfs/dbraw/zinc/28/39/70/453283970.db2.gz JAWXUFQPUJDRTB-WBMJQRKESA-N 2 0 343.830 1.563 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666973710 453289514 /nfs/dbraw/zinc/28/95/14/453289514.db2.gz YTABWIVNFFZXHE-IRXDYDNUSA-N 2 0 338.496 1.412 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653108909 453294260 /nfs/dbraw/zinc/29/42/60/453294260.db2.gz MAZOFKSAWIOKQF-ZWKOTPCHSA-N 2 0 328.460 1.693 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000653112327 453297845 /nfs/dbraw/zinc/29/78/45/453297845.db2.gz VMYVTHHWTVBORS-GOSISDBHSA-N 2 0 332.492 1.933 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000662576514 453302898 /nfs/dbraw/zinc/30/28/98/453302898.db2.gz VOYVJHIEFNXQBV-GJZGRUSLSA-N 2 0 349.500 1.752 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC000662583820 453312301 /nfs/dbraw/zinc/31/23/01/453312301.db2.gz WTDBTCYCAKZIIR-YUELXQCFSA-N 2 0 349.500 1.752 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)C1 ZINC000653123137 453316222 /nfs/dbraw/zinc/31/62/22/453316222.db2.gz OXCHTBUWYCDTQV-QAPCUYQASA-N 2 0 348.491 1.625 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662590849 453317483 /nfs/dbraw/zinc/31/74/83/453317483.db2.gz OYKLBZUGOOOWKA-GJZGRUSLSA-N 2 0 331.464 1.338 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662593172 453321612 /nfs/dbraw/zinc/32/16/12/453321612.db2.gz HKKBGVRVEZKYKO-JKSUJKDBSA-N 2 0 346.479 1.054 20 0 EDADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000653153465 453342240 /nfs/dbraw/zinc/34/22/40/453342240.db2.gz PYADPHYNURKUPM-RTBURBONSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H](N)CC[NH+](C)C)c2)CC1 ZINC000653156284 453346064 /nfs/dbraw/zinc/34/60/64/453346064.db2.gz XBALYKVFBKXJKM-GOSISDBHSA-N 2 0 347.507 1.435 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638492 453353626 /nfs/dbraw/zinc/35/36/26/453353626.db2.gz RLCBHMZZJGRDDR-ZWKOTPCHSA-N 2 0 330.476 1.798 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653182108 453371471 /nfs/dbraw/zinc/37/14/71/453371471.db2.gz NRLXJHVQWFAJKA-LZLYRXPVSA-N 2 0 331.460 1.546 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653181925 453372325 /nfs/dbraw/zinc/37/23/25/453372325.db2.gz LJSAABRRNPMGBA-SCTDSRPQSA-N 2 0 345.487 1.807 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667078571 453390936 /nfs/dbraw/zinc/39/09/36/453390936.db2.gz ZGJGDNSLYLFDOB-GOEBONIOSA-N 2 0 330.432 1.027 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662679430 453398817 /nfs/dbraw/zinc/39/88/17/453398817.db2.gz OQPUCKXJTKIGSQ-UHFFFAOYSA-N 2 0 342.487 1.539 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000667095344 453401110 /nfs/dbraw/zinc/40/11/10/453401110.db2.gz BGAYGSNJFZWZME-INIZCTEOSA-N 2 0 330.432 1.217 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469680 453415519 /nfs/dbraw/zinc/41/55/19/453415519.db2.gz LIVMUSRDMFUXSX-WFEUEMSSSA-N 2 0 335.492 1.652 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662700531 453422066 /nfs/dbraw/zinc/42/20/66/453422066.db2.gz SVTFMCFYBHLXDZ-INIZCTEOSA-N 2 0 348.495 1.587 20 0 EDADRP CCO[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000653248058 453434469 /nfs/dbraw/zinc/43/44/69/453434469.db2.gz BLFPQPUQKDFENO-BRWVUGGUSA-N 2 0 325.497 1.887 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662710588 453434854 /nfs/dbraw/zinc/43/48/54/453434854.db2.gz IJJMZSIZOULSNC-AWEZNQCLSA-N 2 0 337.386 1.146 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662716147 453440359 /nfs/dbraw/zinc/44/03/59/453440359.db2.gz AIAHOJIWTNIIJY-QGZVFWFLSA-N 2 0 333.476 1.674 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000664896924 453469211 /nfs/dbraw/zinc/46/92/11/453469211.db2.gz PKIFSWBKTHNGHB-FUHWJXTLSA-N 2 0 347.507 1.052 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662754582 453491875 /nfs/dbraw/zinc/49/18/75/453491875.db2.gz RIPVFFPLJVZJPA-GOSISDBHSA-N 2 0 344.503 1.433 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cncc(O)c1 ZINC000655390679 453494092 /nfs/dbraw/zinc/49/40/92/453494092.db2.gz GQTBPIBZUCROIV-INIZCTEOSA-N 2 0 334.464 1.204 20 0 EDADRP N[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763914 453501264 /nfs/dbraw/zinc/50/12/64/453501264.db2.gz JYQUQZPPWGZLER-ZBEGNZNMSA-N 2 0 332.354 1.814 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CCCC1 ZINC000662785431 453518964 /nfs/dbraw/zinc/51/89/64/453518964.db2.gz HXVLQURBZGKOTO-MRXNPFEDSA-N 2 0 348.495 1.539 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000667326872 453559303 /nfs/dbraw/zinc/55/93/03/453559303.db2.gz DHUURXYGFAVGSW-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833558 453559338 /nfs/dbraw/zinc/55/93/38/453559338.db2.gz SEKOITNIQAMXDZ-FGTMMUONSA-N 2 0 337.508 1.997 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667330020 453562812 /nfs/dbraw/zinc/56/28/12/453562812.db2.gz WQLJKBIDLYTOSR-OALUTQOASA-N 2 0 340.471 1.917 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858713 453573601 /nfs/dbraw/zinc/57/36/01/453573601.db2.gz HQGGEOJWQNLDLB-MSOLQXFVSA-N 2 0 345.487 1.648 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662861124 453576298 /nfs/dbraw/zinc/57/62/98/453576298.db2.gz XOIFJJFNDDXRTI-WBAXXEDZSA-N 2 0 333.476 1.489 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H](C)[NH3+] ZINC000662861120 453577034 /nfs/dbraw/zinc/57/70/34/453577034.db2.gz XOIFJJFNDDXRTI-OLMNPRSZSA-N 2 0 333.476 1.489 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660827848 453591187 /nfs/dbraw/zinc/59/11/87/453591187.db2.gz UCMBTBDFCCRKAZ-IRXDYDNUSA-N 2 0 334.508 1.892 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665237072 453618977 /nfs/dbraw/zinc/61/89/77/453618977.db2.gz ZMTUXUYDKVTAFT-UWVGGRQHSA-N 2 0 329.242 1.289 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291654 453638587 /nfs/dbraw/zinc/63/85/87/453638587.db2.gz HGKJMQLJQNBVBW-CZUORRHYSA-N 2 0 327.432 1.251 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000663000318 453642815 /nfs/dbraw/zinc/64/28/15/453642815.db2.gz GFPOLEDQEJLSHE-VQIMIIECSA-N 2 0 327.472 1.939 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657160975 453713343 /nfs/dbraw/zinc/71/33/43/453713343.db2.gz MVSGTLJNGGNQAF-OAHLLOKOSA-N 2 0 331.526 1.655 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000659352819 453725374 /nfs/dbraw/zinc/72/53/74/453725374.db2.gz PESDBTNXUWFISY-YESZJQIVSA-N 2 0 331.460 1.645 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000661237879 453770986 /nfs/dbraw/zinc/77/09/86/453770986.db2.gz NTFJGOMETVNWTG-QGZVFWFLSA-N 2 0 338.496 1.130 20 0 EDADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC000657354095 453773119 /nfs/dbraw/zinc/77/31/19/453773119.db2.gz PITLLCVDVSDFCM-IRXDYDNUSA-N 2 0 333.480 1.536 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401865 453782359 /nfs/dbraw/zinc/78/23/59/453782359.db2.gz YTOIPCYHDSAMLP-OALUTQOASA-N 2 0 341.459 1.735 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663412938 453792356 /nfs/dbraw/zinc/79/23/56/453792356.db2.gz VMQXVEGZOGWSGX-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)N[C@@H](Cc1ccccc1)c1nccn1C ZINC000661353658 453798191 /nfs/dbraw/zinc/79/81/91/453798191.db2.gz NULHITYNIQISPL-KRWDZBQOSA-N 2 0 341.459 1.907 20 0 EDADRP CCN(C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663453027 453802295 /nfs/dbraw/zinc/80/22/95/453802295.db2.gz WZOIPHUGURMAAV-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000663454125 453802762 /nfs/dbraw/zinc/80/27/62/453802762.db2.gz FJYPUHSFISEYGB-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP O=C1NC(=O)C2(CCC([NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)CC2)N1 ZINC000663467936 453804065 /nfs/dbraw/zinc/80/40/65/453804065.db2.gz IPHNNPBVLUCZMT-SYJJWHGVSA-N 2 0 334.464 1.219 20 0 EDADRP C[C@@H](CCNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000663542544 453819183 /nfs/dbraw/zinc/81/91/83/453819183.db2.gz CKKLWRCFYFXTIZ-SOUVJXGZSA-N 2 0 328.501 1.514 20 0 EDADRP CCc1cnc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000524788505 486653133 /nfs/dbraw/zinc/65/31/33/486653133.db2.gz XJFDQXLILXMDBZ-UHFFFAOYSA-N 2 0 341.525 1.383 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000679920101 486672220 /nfs/dbraw/zinc/67/22/20/486672220.db2.gz UDDBVPLTNFSHOE-APWZRJJASA-N 2 0 345.487 1.595 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CCOCc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000384940344 486688055 /nfs/dbraw/zinc/68/80/55/486688055.db2.gz CKEAFYNRJALPBS-RTBURBONSA-N 2 0 345.487 1.783 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+](C(C)(C)CO)CC1)C1CCCCC1 ZINC000684162324 486701218 /nfs/dbraw/zinc/70/12/18/486701218.db2.gz ASCCTBCUUBKUOE-UHFFFAOYSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000671726549 486732435 /nfs/dbraw/zinc/73/24/35/486732435.db2.gz ROOIWZIHLAKCDQ-CQSZACIVSA-N 2 0 340.489 1.682 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000414921766 486734153 /nfs/dbraw/zinc/73/41/53/486734153.db2.gz FUEBQTKDAHGWGQ-NWDGAFQWSA-N 2 0 341.839 1.572 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000415646311 486762167 /nfs/dbraw/zinc/76/21/67/486762167.db2.gz MQXWZMZCVZCEEL-GRDNDAEWSA-N 2 0 344.459 1.560 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417815227 486814774 /nfs/dbraw/zinc/81/47/74/486814774.db2.gz SRIMKNYLRKFYTG-GOEBONIOSA-N 2 0 326.485 1.445 20 0 EDADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417996497 486820476 /nfs/dbraw/zinc/82/04/76/486820476.db2.gz SLRLTJOWABLIGL-QZTJIDSGSA-N 2 0 346.475 1.834 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000667559958 486846752 /nfs/dbraw/zinc/84/67/52/486846752.db2.gz XIZYEFAINJHPPI-ZIAGYGMSSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000676698752 486844369 /nfs/dbraw/zinc/84/43/69/486844369.db2.gz PNSRWBBUSUXXQD-LPHOPBHVSA-N 2 0 348.535 1.678 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000683910687 486862093 /nfs/dbraw/zinc/86/20/93/486862093.db2.gz KXNMYDBXFLQARX-IEBWSBKVSA-N 2 0 333.476 1.595 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000673050240 486895660 /nfs/dbraw/zinc/89/56/60/486895660.db2.gz MQVIZLCMMBOCHQ-OAHLLOKOSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CC[NH+](C)CC1 ZINC000680939107 486900963 /nfs/dbraw/zinc/90/09/63/486900963.db2.gz RHAGDDXDRSUQII-AWEZNQCLSA-N 2 0 336.455 1.877 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000681561718 487088529 /nfs/dbraw/zinc/08/85/29/487088529.db2.gz LKFIUVWPXFDMAM-ZDUSSCGKSA-N 2 0 347.463 1.263 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000673775900 487110714 /nfs/dbraw/zinc/11/07/14/487110714.db2.gz FIEXCFYVJXOJSK-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP COCC1(N(C)CC(=O)N2CCN(Cc3ccccc3C)CC2)CC1 ZINC000677728030 487159508 /nfs/dbraw/zinc/15/95/08/487159508.db2.gz NNKKMJJPZVVODR-UHFFFAOYSA-N 2 0 345.487 1.750 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000674329383 487238236 /nfs/dbraw/zinc/23/82/36/487238236.db2.gz XPUGLNFFMCSVNS-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)Oc1cc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000675330343 487399017 /nfs/dbraw/zinc/39/90/17/487399017.db2.gz KEDGGJILVWASRA-INIZCTEOSA-N 2 0 346.475 1.767 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669288059 485522513 /nfs/dbraw/zinc/52/25/13/485522513.db2.gz OTQWXMWFHPBXOF-WMZOPIPTSA-N 2 0 328.460 1.438 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000669561088 485568973 /nfs/dbraw/zinc/56/89/73/485568973.db2.gz FYXVOBNSWSRUDW-ATLSCFEFSA-N 2 0 346.475 1.265 20 0 EDADRP Cc1ccc2nc(C[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)cn2c1 ZINC000671190495 485887761 /nfs/dbraw/zinc/88/77/61/485887761.db2.gz CYYVPKCAWBMUJP-MRXNPFEDSA-N 2 0 327.476 1.901 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345071032 485958104 /nfs/dbraw/zinc/95/81/04/485958104.db2.gz BRBGHBDLHBKONR-JQHSSLGASA-N 2 0 337.508 1.534 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000669349087 485997939 /nfs/dbraw/zinc/99/79/39/485997939.db2.gz DGUVMMOJBASEIF-PLNGDYQASA-N 2 0 345.491 1.008 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000669365906 486013821 /nfs/dbraw/zinc/01/38/21/486013821.db2.gz TVGVCQXUDOZKFR-HZPDHXFCSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000668727769 486094664 /nfs/dbraw/zinc/09/46/64/486094664.db2.gz UKGVSQAAPNSRDI-OWCLPIDISA-N 2 0 326.485 1.112 20 0 EDADRP C[C@@H](NC(=O)NC[C@H](C)[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000669443338 486200126 /nfs/dbraw/zinc/20/01/26/486200126.db2.gz KTHJOVYTBXZWHT-QWHCGFSZSA-N 2 0 337.443 1.285 20 0 EDADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000669482031 486245087 /nfs/dbraw/zinc/24/50/87/486245087.db2.gz OOQZSBLNETYMBL-SMDDNHRTSA-N 2 0 344.381 1.926 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000669486218 486251785 /nfs/dbraw/zinc/25/17/85/486251785.db2.gz FEVMXXBZAGEMHX-IKGGRYGDSA-N 2 0 340.512 1.565 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406108 486449041 /nfs/dbraw/zinc/44/90/41/486449041.db2.gz GTOVHBIGPABWKY-ROUUACIJSA-N 2 0 330.476 1.186 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)CC2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000167703409 486482150 /nfs/dbraw/zinc/48/21/50/486482150.db2.gz DZOZMFJFCMXMFW-UHFFFAOYSA-N 2 0 344.503 1.534 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000669853162 486482510 /nfs/dbraw/zinc/48/25/10/486482510.db2.gz MHIZFIHFJLNOJO-AEFFLSMTSA-N 2 0 345.487 1.986 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000382653030 486646902 /nfs/dbraw/zinc/64/69/02/486646902.db2.gz BYEGJNSHFODILV-HKUYNNGSSA-N 2 0 335.492 1.132 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305694237 491243947 /nfs/dbraw/zinc/24/39/47/491243947.db2.gz BRBXAVQTXQLBPC-LZQZEXGQSA-N 2 0 345.487 1.468 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000173744359 534095847 /nfs/dbraw/zinc/09/58/47/534095847.db2.gz FKBDUHVSUUXLIN-RDJZCZTQSA-N 2 0 339.528 1.137 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000516874368 518197335 /nfs/dbraw/zinc/19/73/35/518197335.db2.gz BKNBNKWSTHSDIE-UHFFFAOYSA-N 2 0 338.455 1.977 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158518114 528035406 /nfs/dbraw/zinc/03/54/06/528035406.db2.gz DOIPDEPMSZDEAJ-INIZCTEOSA-N 2 0 347.507 1.570 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000164323348 528155338 /nfs/dbraw/zinc/15/53/38/528155338.db2.gz AICUFDHSMODTFK-OAHLLOKOSA-N 2 0 335.448 1.724 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173949940 529201450 /nfs/dbraw/zinc/20/14/50/529201450.db2.gz CBUAVPZJMYWNLO-HNNXBMFYSA-N 2 0 336.484 1.831 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCO)CCOC)CC1 ZINC000093005833 534935618 /nfs/dbraw/zinc/93/56/18/534935618.db2.gz IJMHUUAMVWIEQE-UHFFFAOYSA-N 2 0 335.492 1.659 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000236822334 535044302 /nfs/dbraw/zinc/04/43/02/535044302.db2.gz ATUBGKVBTDRRDP-INIZCTEOSA-N 2 0 333.480 1.357 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000333458021 535330304 /nfs/dbraw/zinc/33/03/04/535330304.db2.gz YPQYHZMMOLAYIW-USXIJHARSA-N 2 0 338.496 1.255 20 0 EDADRP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072823983 535584565 /nfs/dbraw/zinc/58/45/65/535584565.db2.gz ODAHUEHYWUIQCI-HNNXBMFYSA-N 2 0 346.475 1.778 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000236917244 535604453 /nfs/dbraw/zinc/60/44/53/535604453.db2.gz YKDYRZUHHQLLSP-GOSISDBHSA-N 2 0 333.476 1.913 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339611122 535661726 /nfs/dbraw/zinc/66/17/26/535661726.db2.gz QJXBJSYCZPZKPS-MRXNPFEDSA-N 2 0 340.512 1.164 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339746143 535715560 /nfs/dbraw/zinc/71/55/60/535715560.db2.gz YHWZZROIYPJNQN-UHFFFAOYSA-N 2 0 348.491 1.165 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000262703603 536050732 /nfs/dbraw/zinc/05/07/32/536050732.db2.gz CTDXUWPRFWFEAG-CQSZACIVSA-N 2 0 328.420 1.517 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cccc(C(F)(F)F)c1 ZINC000262251113 536304609 /nfs/dbraw/zinc/30/46/09/536304609.db2.gz WXJHPXFWLOWONH-UHFFFAOYSA-N 2 0 329.366 1.959 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000237092334 536416696 /nfs/dbraw/zinc/41/66/96/536416696.db2.gz XEERKJZHPLQAHZ-DFNIBXOVSA-N 2 0 342.487 1.447 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000262176939 536653423 /nfs/dbraw/zinc/65/34/23/536653423.db2.gz BDYXHRMNCJTQIY-CQSZACIVSA-N 2 0 347.381 1.569 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000097257367 536788078 /nfs/dbraw/zinc/78/80/78/536788078.db2.gz PNURYVLRGDCGPS-MRXNPFEDSA-N 2 0 342.528 1.764 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237372417 537114597 /nfs/dbraw/zinc/11/45/97/537114597.db2.gz ULYZIPMZUZGRDO-KRWDZBQOSA-N 2 0 340.427 1.829 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000741384483 579413956 /nfs/dbraw/zinc/41/39/56/579413956.db2.gz BXZRTTSWQBUWDY-ROUUACIJSA-N 2 0 336.476 1.846 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000744423666 579510267 /nfs/dbraw/zinc/51/02/67/579510267.db2.gz NAQJSZNYYKABHH-HNNXBMFYSA-N 2 0 325.478 1.150 20 0 EDADRP COc1ccc([C@@H](O)C[NH2+]C[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000726796499 578361591 /nfs/dbraw/zinc/36/15/91/578361591.db2.gz CCJXFSJAQQMGSF-ICSRJNTNSA-N 2 0 344.455 1.811 20 0 EDADRP CCOC(=O)N[C@H]1CCCN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796623 578361663 /nfs/dbraw/zinc/36/16/63/578361663.db2.gz IDPVIFVGBRYCBA-ROUUACIJSA-N 2 0 349.475 1.690 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736571026 579001131 /nfs/dbraw/zinc/00/11/31/579001131.db2.gz RHLYTNIPDCEKOG-HNNXBMFYSA-N 2 0 343.479 1.230 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=S)NCC2CC[NH+](C)CC2)CCCO1 ZINC000761551516 580059139 /nfs/dbraw/zinc/05/91/39/580059139.db2.gz RAOCAGXMKORVBM-HNNXBMFYSA-N 2 0 342.553 1.293 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)CCCC[NH+]1CCCC1 ZINC000747143940 579630536 /nfs/dbraw/zinc/63/05/36/579630536.db2.gz CMGLBHPQUYQJNL-SQNIBIBYSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000747663702 579652862 /nfs/dbraw/zinc/65/28/62/579652862.db2.gz XFRAHQMQHBVZFE-CQSZACIVSA-N 2 0 328.913 1.968 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000749546249 579730006 /nfs/dbraw/zinc/73/00/06/579730006.db2.gz BKVKEKWYJVRUIV-HZPDHXFCSA-N 2 0 339.528 1.184 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1cc(C)on1 ZINC000750735145 579778925 /nfs/dbraw/zinc/77/89/25/579778925.db2.gz UCQZGPUDBSEPTB-OAHLLOKOSA-N 2 0 338.452 1.236 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000775749940 580399406 /nfs/dbraw/zinc/39/94/06/580399406.db2.gz PEMLYDWVJJNGAX-UHFFFAOYSA-N 2 0 333.480 1.854 20 0 EDADRP CC(=O)N1CCC([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000782192466 580568839 /nfs/dbraw/zinc/56/88/39/580568839.db2.gz HRYIBLVATBXNDK-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785417827 580643336 /nfs/dbraw/zinc/64/33/36/580643336.db2.gz MMQHBLWSCNLGBF-LBPRGKRZSA-N 2 0 344.301 1.298 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc(Br)nn1C ZINC000785483651 580645443 /nfs/dbraw/zinc/64/54/43/580645443.db2.gz AEIMFMZMMOSMCU-LBPRGKRZSA-N 2 0 333.274 1.629 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786830336 580680536 /nfs/dbraw/zinc/68/05/36/580680536.db2.gz DFRLEHAYJXKHOQ-CVEARBPZSA-N 2 0 345.491 1.503 20 0 EDADRP C[NH+](C)CCCNC(=S)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794992153 580910212 /nfs/dbraw/zinc/91/02/12/580910212.db2.gz VVUCRNYNXRNGKQ-QGZVFWFLSA-N 2 0 334.533 1.924 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@@H](C)C1 ZINC000806541243 590636483 /nfs/dbraw/zinc/63/64/83/590636483.db2.gz HUYRDXFRRXXBAS-DLBZAZTESA-N 2 0 342.528 1.595 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891864613 590661320 /nfs/dbraw/zinc/66/13/20/590661320.db2.gz GXMCOSILQDJBJE-KURKYZTESA-N 2 0 328.460 1.654 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891917223 590688013 /nfs/dbraw/zinc/68/80/13/590688013.db2.gz FUXHMMPZNQLGSW-CQSZACIVSA-N 2 0 332.439 1.797 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049757 590772795 /nfs/dbraw/zinc/77/27/95/590772795.db2.gz YNLWJZMFNHMBCP-OLMNPRSZSA-N 2 0 330.476 1.791 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892086422 590790546 /nfs/dbraw/zinc/79/05/46/590790546.db2.gz LMCXBTISCSCLCL-LJQANCHMSA-N 2 0 336.439 1.804 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150697 590823354 /nfs/dbraw/zinc/82/33/54/590823354.db2.gz KQWOBCNBYIPCLO-LSDHHAIUSA-N 2 0 340.418 1.851 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000890879809 590828943 /nfs/dbraw/zinc/82/89/43/590828943.db2.gz GEUXOYGBQVAZCD-UHFFFAOYSA-N 2 0 340.556 1.839 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000892168585 590839898 /nfs/dbraw/zinc/83/98/98/590839898.db2.gz JSQUZBDJIGRDLN-INIZCTEOSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000892190306 590855960 /nfs/dbraw/zinc/85/59/60/590855960.db2.gz AALLJPCXEKAWIG-YESZJQIVSA-N 2 0 334.508 1.892 20 0 EDADRP CN1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC[N@H+](C)CC1 ZINC000888980801 590902834 /nfs/dbraw/zinc/90/28/34/590902834.db2.gz QDNCXETXGXGLLM-UHFFFAOYSA-N 2 0 343.475 1.610 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892340455 590968610 /nfs/dbraw/zinc/96/86/10/590968610.db2.gz TZCFSTGZSFIVMS-HKUYNNGSSA-N 2 0 342.487 1.958 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000892343937 590972155 /nfs/dbraw/zinc/97/21/55/590972155.db2.gz XJACEELBZKELBE-YOEHRIQHSA-N 2 0 330.476 1.956 20 0 EDADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892429264 591025062 /nfs/dbraw/zinc/02/50/62/591025062.db2.gz HZHFXNIGDBTPAW-HUUCEWRRSA-N 2 0 341.496 1.990 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892434393 591027532 /nfs/dbraw/zinc/02/75/32/591027532.db2.gz YVUKWDKJPKDDBY-NXHRZFHOSA-N 2 0 332.492 1.971 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000892478131 591041222 /nfs/dbraw/zinc/04/12/22/591041222.db2.gz HQOUJCAETUEERY-GRYCIOLGSA-N 2 0 336.402 1.543 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)c1 ZINC000892490149 591046404 /nfs/dbraw/zinc/04/64/04/591046404.db2.gz NUYMIPHKARIVJW-MSOLQXFVSA-N 2 0 330.476 1.984 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891339446 591049486 /nfs/dbraw/zinc/04/94/86/591049486.db2.gz ATBWOLGKHPSEEY-INIZCTEOSA-N 2 0 339.528 1.090 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891347027 591053065 /nfs/dbraw/zinc/05/30/65/591053065.db2.gz FQZHGODSYCMSPQ-MSOLQXFVSA-N 2 0 328.460 1.581 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000892530508 591059971 /nfs/dbraw/zinc/05/99/71/591059971.db2.gz PXIDVNCHCFUQFE-SFHVURJKSA-N 2 0 348.491 1.447 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000892530196 591061476 /nfs/dbraw/zinc/06/14/76/591061476.db2.gz KOXOHADEDXZSOK-ZWKOTPCHSA-N 2 0 330.476 1.963 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000893743641 591072785 /nfs/dbraw/zinc/07/27/85/591072785.db2.gz QRZZERNVBZFELF-PVAVHDDUSA-N 2 0 338.496 1.005 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCS(=O)CC3)cc2)CC1 ZINC000892577262 591078685 /nfs/dbraw/zinc/07/86/85/591078685.db2.gz QKRPQBYRWCRKAY-UHFFFAOYSA-N 2 0 335.517 1.435 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892584930 591082567 /nfs/dbraw/zinc/08/25/67/591082567.db2.gz RMPMFABOCWSGEB-WCXIOVBPSA-N 2 0 343.475 1.832 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)C(C)C ZINC000891477292 591084987 /nfs/dbraw/zinc/08/49/87/591084987.db2.gz GSHRQYICBQNYHV-DLBZAZTESA-N 2 0 340.512 1.346 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891526922 591107598 /nfs/dbraw/zinc/10/75/98/591107598.db2.gz GCZKNRFWPNODBO-YJBOKZPZSA-N 2 0 339.528 1.029 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000892789225 591179348 /nfs/dbraw/zinc/17/93/48/591179348.db2.gz MFCRWQYEHUZUQH-MJGOQNOKSA-N 2 0 328.460 1.486 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000892805617 591187850 /nfs/dbraw/zinc/18/78/50/591187850.db2.gz UVPSRLLQHGZIMN-QZTJIDSGSA-N 2 0 326.444 1.357 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892810284 591189127 /nfs/dbraw/zinc/18/91/27/591189127.db2.gz JRHYZZNIAYOXBW-ROUUACIJSA-N 2 0 328.460 1.581 20 0 EDADRP C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cnc(CC(F)(F)F)s1 ZINC000892894565 591217637 /nfs/dbraw/zinc/21/76/37/591217637.db2.gz WRWAZCVHCVHSMR-LLVKDONJSA-N 2 0 336.427 1.973 20 0 EDADRP CCN(C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000891799255 591227566 /nfs/dbraw/zinc/22/75/66/591227566.db2.gz PNOKZJRRTZIGMW-RYQLBKOJSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)C[C@@H]1CN([C@H]2CCC3(C[C@@H]2F)OCCO3)C[C@H]1C[NH+](C)C ZINC000895700181 591253228 /nfs/dbraw/zinc/25/32/28/591253228.db2.gz SBCBTZUMBFPKSR-NCOADZHNSA-N 2 0 343.487 1.291 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895851546 591287853 /nfs/dbraw/zinc/28/78/53/591287853.db2.gz ZFROEKIIBZRGBE-LZQZEXGQSA-N 2 0 343.471 1.659 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)CCC(F)(F)F ZINC000894428823 591309492 /nfs/dbraw/zinc/30/94/92/591309492.db2.gz SGBCBQQCBYBSLP-STQMWFEESA-N 2 0 336.402 1.606 20 0 EDADRP CN(CCC[N@H+](C)[C@@H]1CCC2(C[C@H]1F)OCCO2)CC[NH+](C)C ZINC000894523778 591332595 /nfs/dbraw/zinc/33/25/95/591332595.db2.gz NBXHHLIOSQNMRC-HZPDHXFCSA-N 2 0 331.476 1.435 20 0 EDADRP Cn1nc2c(c1CN(CC[NH+](C)C)CC[NH+](C)C)CSCC2 ZINC000894765995 591414538 /nfs/dbraw/zinc/41/45/38/591414538.db2.gz MVYWHYKSEGFDNC-UHFFFAOYSA-N 2 0 325.526 1.135 20 0 EDADRP CCNS(=O)(=O)c1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000894845231 591441013 /nfs/dbraw/zinc/44/10/13/591441013.db2.gz BYQSSJCVNUJBEJ-UHFFFAOYSA-N 2 0 325.478 1.416 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C1C[NH+](C2CCOCC2)C1)C(C)(C)C ZINC000896409277 591457025 /nfs/dbraw/zinc/45/70/25/591457025.db2.gz KKBNVFZJVZUKBW-INIZCTEOSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2Cc3cccnc3N3CCC[C@@H]3C2)C1 ZINC000897470736 591473743 /nfs/dbraw/zinc/47/37/43/591473743.db2.gz HVMVQXATNQDBBF-DOTOQJQBSA-N 2 0 343.475 1.917 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)c2c1OC(F)(F)O2 ZINC000894991540 591509925 /nfs/dbraw/zinc/50/99/25/591509925.db2.gz REXDEBQELGCTLR-SNVBAGLBSA-N 2 0 341.358 1.295 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc2nc[nH]c21 ZINC000896624922 591552944 /nfs/dbraw/zinc/55/29/44/591552944.db2.gz SNADTMXQAJDFRR-UHFFFAOYSA-N 2 0 332.452 1.304 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[nH]n1 ZINC000897577489 591564725 /nfs/dbraw/zinc/56/47/25/591564725.db2.gz XLVXWXOMZYIHPF-PBHICJAKSA-N 2 0 331.464 1.923 20 0 EDADRP CCc1[nH]c(CN2CCOC3(CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000895083991 591574946 /nfs/dbraw/zinc/57/49/46/591574946.db2.gz GRTGUBHFMGPINN-UHFFFAOYSA-N 2 0 335.448 1.660 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(F)F ZINC000895227106 591668397 /nfs/dbraw/zinc/66/83/97/591668397.db2.gz URNQKJUZPZCXGZ-CABCVRRESA-N 2 0 346.418 1.521 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000896959976 591691754 /nfs/dbraw/zinc/69/17/54/591691754.db2.gz RMMDBKSJVZVJNT-RHSMWYFYSA-N 2 0 333.480 1.884 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)ccc21 ZINC000897910421 591718463 /nfs/dbraw/zinc/71/84/63/591718463.db2.gz XSDFSPQMTOAKND-WMZOPIPTSA-N 2 0 329.444 1.895 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C2CC2)O1 ZINC000897208782 591768798 /nfs/dbraw/zinc/76/87/98/591768798.db2.gz DNNJMNXYGXPLOY-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895467824 591769141 /nfs/dbraw/zinc/76/91/41/591769141.db2.gz OPINJDBSHAGUIU-HOTGVXAUSA-N 2 0 349.500 1.722 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2cnc(N3CC[NH2+]CC3)cn2)c1 ZINC000899323099 591774878 /nfs/dbraw/zinc/77/48/78/591774878.db2.gz NGNIMKSMLPTFIR-UHFFFAOYSA-N 2 0 327.432 1.494 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000899958519 591844050 /nfs/dbraw/zinc/84/40/50/591844050.db2.gz VBZAHZGKJXLMRE-QFBILLFUSA-N 2 0 349.475 1.770 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898367125 591892242 /nfs/dbraw/zinc/89/22/42/591892242.db2.gz MFISBEATBBBQMM-ZDUSSCGKSA-N 2 0 339.871 1.878 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000902340545 591976722 /nfs/dbraw/zinc/97/67/22/591976722.db2.gz WUGVBRSOORBJQB-SFHVURJKSA-N 3 0 345.535 1.962 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)C1 ZINC000902386894 591989331 /nfs/dbraw/zinc/98/93/31/591989331.db2.gz HQMHFCLHHUPFQJ-CYBMUJFWSA-N 2 0 342.281 1.979 20 0 EDADRP Cn1cc([C@H]2[C@H](C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)OCCN2C)cn1 ZINC000902400846 591990951 /nfs/dbraw/zinc/99/09/51/591990951.db2.gz WKUPRYNOSRCSLO-ULQDDVLXSA-N 2 0 335.496 1.160 20 0 EDADRP CN1C[C@@H](O)C[C@@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351296 591992746 /nfs/dbraw/zinc/99/27/46/591992746.db2.gz YNCGXPCEJBBXMY-HKUYNNGSSA-N 2 0 331.460 1.719 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@]1(c2cnn(C)c2)CCCO1 ZINC000902461231 592000152 /nfs/dbraw/zinc/00/01/52/592000152.db2.gz MUDIRRVMQHMTDM-SCLBCKFNSA-N 2 0 329.448 1.939 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522819 592010442 /nfs/dbraw/zinc/01/04/42/592010442.db2.gz YLEDCKZWZNTNAO-TUAOUCFPSA-N 2 0 325.844 1.521 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900416677 592013300 /nfs/dbraw/zinc/01/33/00/592013300.db2.gz CHXAYEYYWKYHHX-LJQANCHMSA-N 2 0 333.476 1.424 20 0 EDADRP CNc1ccc(C)cc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000902596146 592016553 /nfs/dbraw/zinc/01/65/53/592016553.db2.gz MEEJWEICLONVNM-UHFFFAOYSA-N 2 0 346.519 1.923 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000900446591 592019998 /nfs/dbraw/zinc/01/99/98/592019998.db2.gz PHZIRMWSFPRXJL-RBUKOAKNSA-N 2 0 348.535 1.678 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000900446589 592020365 /nfs/dbraw/zinc/02/03/65/592020365.db2.gz PHZIRMWSFPRXJL-MOPGFXCFSA-N 2 0 348.535 1.678 20 0 EDADRP CN(Cc1ccccc1)C(=O)CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807963 592064001 /nfs/dbraw/zinc/06/40/01/592064001.db2.gz YGDHNQLGZXEKGX-JKSUJKDBSA-N 2 0 346.431 1.007 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900656350 592082509 /nfs/dbraw/zinc/08/25/09/592082509.db2.gz KFLITXZPCZIKSC-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000900708284 592101117 /nfs/dbraw/zinc/10/11/17/592101117.db2.gz IDQDGNZOEMABPK-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cn2)CC1 ZINC000903073666 592119472 /nfs/dbraw/zinc/11/94/72/592119472.db2.gz PLULVHQVPYFSCK-PKOBYXMFSA-N 2 0 346.475 1.261 20 0 EDADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000900792340 592125357 /nfs/dbraw/zinc/12/53/57/592125357.db2.gz DBRQIGFCPSEWST-IBGZPJMESA-N 2 0 343.471 1.836 20 0 EDADRP CO[C@H]1CCC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000903139370 592126297 /nfs/dbraw/zinc/12/62/97/592126297.db2.gz HVHBBCXDBYZCPA-SQNIBIBYSA-N 2 0 333.476 1.433 20 0 EDADRP C([C@@H]1CCCO1)N1CCC([NH2+][C@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903269791 592149188 /nfs/dbraw/zinc/14/91/88/592149188.db2.gz BORJBRAKOVAITE-OKZBNKHCSA-N 2 0 339.549 1.799 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)C1 ZINC000903431135 592168392 /nfs/dbraw/zinc/16/83/92/592168392.db2.gz OSVGMYFNBKEYHW-GOEBONIOSA-N 2 0 335.423 1.476 20 0 EDADRP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903432650 592168837 /nfs/dbraw/zinc/16/88/37/592168837.db2.gz ITQKIQPQEHQIBA-CABCVRRESA-N 2 0 340.489 1.918 20 0 EDADRP CCc1ccccc1NC(=O)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441089 592169789 /nfs/dbraw/zinc/16/97/89/592169789.db2.gz JJTWKSXVTCKEBL-AEFFLSMTSA-N 2 0 344.503 1.933 20 0 EDADRP C[C@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511064 592190478 /nfs/dbraw/zinc/19/04/78/592190478.db2.gz NBBLPSQPIQHGMM-PBWTXFEYSA-N 2 0 348.535 1.677 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000901025815 592203148 /nfs/dbraw/zinc/20/31/48/592203148.db2.gz KWTNKUQTZFPYTB-KPFFTGBYSA-N 2 0 345.487 1.612 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906652125 592235871 /nfs/dbraw/zinc/23/58/71/592235871.db2.gz XSOJYINWTKGZSE-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906654872 592237555 /nfs/dbraw/zinc/23/75/55/592237555.db2.gz ZNLVQHMQJNOOCR-CYBMUJFWSA-N 2 0 332.448 1.229 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH3+])CC1)c1ccc(N2CCCC2=O)cc1 ZINC000904367362 592239335 /nfs/dbraw/zinc/23/93/35/592239335.db2.gz ZYCBPXJSLRYORS-HNNXBMFYSA-N 2 0 330.476 1.887 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000906679493 592259983 /nfs/dbraw/zinc/25/99/83/592259983.db2.gz SVHJZZIWIQZRJZ-UHFFFAOYSA-N 2 0 344.459 1.322 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000904511112 592274712 /nfs/dbraw/zinc/27/47/12/592274712.db2.gz VNCWXZXJDSBJTE-QZTJIDSGSA-N 2 0 346.475 1.859 20 0 EDADRP O=C(CC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)NC1CCCC1 ZINC000903725355 592284718 /nfs/dbraw/zinc/28/47/18/592284718.db2.gz BFVAVXXYNURBQK-UYAOXDASSA-N 2 0 349.519 1.916 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](C[C@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903727615 592286250 /nfs/dbraw/zinc/28/62/50/592286250.db2.gz VZEAVXAZQYMRPQ-INIZCTEOSA-N 2 0 333.480 1.252 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000904582443 592286764 /nfs/dbraw/zinc/28/67/64/592286764.db2.gz OMENXEWGYSWYDW-UONOGXRCSA-N 2 0 334.464 1.799 20 0 EDADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000903729410 592286894 /nfs/dbraw/zinc/28/68/94/592286894.db2.gz MGPASISCJDMILU-STQMWFEESA-N 2 0 349.397 1.240 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000904599432 592292336 /nfs/dbraw/zinc/29/23/36/592292336.db2.gz ZFMDJDYQBVOSFH-MRXNPFEDSA-N 2 0 334.464 1.849 20 0 EDADRP CCOC(=O)[C@@H]1C[C@H]1CN(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000903745609 592292687 /nfs/dbraw/zinc/29/26/87/592292687.db2.gz LELHSHKSLLCGAD-ARFHVFGLSA-N 2 0 346.475 1.563 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCOC1CCSCC1 ZINC000903745865 592293372 /nfs/dbraw/zinc/29/33/72/592293372.db2.gz AQEOLPDJQLTTSR-CQSZACIVSA-N 2 0 329.510 1.218 20 0 EDADRP C([C@H]1CCCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903735873 592299303 /nfs/dbraw/zinc/29/93/03/592299303.db2.gz DVKGXFMGZHHEPT-QZTJIDSGSA-N 2 0 337.508 1.332 20 0 EDADRP CC(C)C[C@H]([NH3+])Cc1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000904629005 592299909 /nfs/dbraw/zinc/29/99/09/592299909.db2.gz ZEFGKMKUMCFKQB-AWEZNQCLSA-N 2 0 333.436 1.988 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000906741822 592306442 /nfs/dbraw/zinc/30/64/42/592306442.db2.gz XIMVZSPGBAWBPD-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903760988 592307861 /nfs/dbraw/zinc/30/78/61/592307861.db2.gz MKXGYWUBFAADRY-HZSPNIEDSA-N 2 0 347.385 1.874 20 0 EDADRP CCC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000903755414 592313967 /nfs/dbraw/zinc/31/39/67/592313967.db2.gz GTZVNZJGTYXGKY-ROUUACIJSA-N 2 0 339.524 1.578 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1)C(=O)OC ZINC000903790861 592315566 /nfs/dbraw/zinc/31/55/66/592315566.db2.gz DZCPSSNNRNOTOI-BBRMVZONSA-N 2 0 341.496 1.387 20 0 EDADRP C[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(S(N)(=O)=O)cc1 ZINC000903791132 592315771 /nfs/dbraw/zinc/31/57/71/592315771.db2.gz OBCYXNHISDPJIN-WYQXTGKHSA-N 2 0 337.489 1.905 20 0 EDADRP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903790787 592315934 /nfs/dbraw/zinc/31/59/34/592315934.db2.gz AOQJDSMIAFNOMC-OAHLLOKOSA-N 2 0 339.480 1.237 20 0 EDADRP CC(C)NC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794471 592317256 /nfs/dbraw/zinc/31/72/56/592317256.db2.gz WLXXHGPBFYUHHI-OAHLLOKOSA-N 2 0 346.475 1.602 20 0 EDADRP COCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)CC1CC[NH+](C)CC1 ZINC000903776800 592319595 /nfs/dbraw/zinc/31/95/95/592319595.db2.gz WFBOUVSTZPRTGN-GOSISDBHSA-N 3 0 339.524 1.435 20 0 EDADRP [NH3+]Cc1cn([C@H]2CC[N@H+](CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC000903778604 592319611 /nfs/dbraw/zinc/31/96/11/592319611.db2.gz OZOPWJITIQQTNI-LBPRGKRZSA-N 2 0 339.802 1.855 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000901300297 592321184 /nfs/dbraw/zinc/32/11/84/592321184.db2.gz FJJZIAZGGCXBKA-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C1CCC(=O)CC1 ZINC000906797300 592348758 /nfs/dbraw/zinc/34/87/58/592348758.db2.gz JALGISOSELBDRR-UHFFFAOYSA-N 2 0 347.525 1.033 20 0 EDADRP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888867 592350845 /nfs/dbraw/zinc/35/08/45/592350845.db2.gz LYQAHYQKKUSWIC-IRXDYDNUSA-N 2 0 349.523 1.474 20 0 EDADRP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889645 592351763 /nfs/dbraw/zinc/35/17/63/592351763.db2.gz UUGZWUGSMRFVOT-JKSUJKDBSA-N 2 0 335.496 1.084 20 0 EDADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903882694 592361786 /nfs/dbraw/zinc/36/17/86/592361786.db2.gz AELAROHADDDXGO-WTXIUTQJSA-N 2 0 329.510 1.311 20 0 EDADRP COc1ccccc1OCC[N@H+](C)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903884610 592362566 /nfs/dbraw/zinc/36/25/66/592362566.db2.gz DWSRGSVKCGNTHL-MRXNPFEDSA-N 2 0 346.475 1.865 20 0 EDADRP [NH3+]CCCN(Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000903905185 592372968 /nfs/dbraw/zinc/37/29/68/592372968.db2.gz AJHHEPFIJVYNHU-KRWDZBQOSA-N 2 0 328.464 1.554 20 0 EDADRP c1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903920679 592377489 /nfs/dbraw/zinc/37/74/89/592377489.db2.gz KTHWQYNZRHIVGP-INIZCTEOSA-N 2 0 329.488 1.923 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905047681 592378868 /nfs/dbraw/zinc/37/88/68/592378868.db2.gz VGIBHZLFZDMNPF-XDNAFOTISA-N 2 0 328.497 1.237 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000903933879 592386614 /nfs/dbraw/zinc/38/66/14/592386614.db2.gz XOWVHSQDEYVZPT-DLBZAZTESA-N 3 0 332.496 1.414 20 0 EDADRP COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903915750 592388567 /nfs/dbraw/zinc/38/85/67/592388567.db2.gz PVVVTVPISHNZSI-MAUKXSAKSA-N 2 0 334.460 1.178 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000905058402 592395553 /nfs/dbraw/zinc/39/55/53/592395553.db2.gz FWTQTGCTCIJPMK-JTDSTZFVSA-N 2 0 338.492 1.935 20 0 EDADRP COc1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(C)nn1C ZINC000903980609 592401447 /nfs/dbraw/zinc/40/14/47/592401447.db2.gz VSWNDVQRZMLVQD-IYBDPMFKSA-N 2 0 333.480 1.138 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098494 592404574 /nfs/dbraw/zinc/40/45/74/592404574.db2.gz SWBPVCLQJLLHFO-OALUTQOASA-N 2 0 332.488 1.807 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC[NH2+]1 ZINC000903988594 592407002 /nfs/dbraw/zinc/40/70/02/592407002.db2.gz SZDJQPLSCKJQCY-UONOGXRCSA-N 2 0 329.448 1.779 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000908259052 592409784 /nfs/dbraw/zinc/40/97/84/592409784.db2.gz RIGREUSRVAMNEN-QGZVFWFLSA-N 2 0 326.529 1.639 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905110216 592410744 /nfs/dbraw/zinc/41/07/44/592410744.db2.gz LEGXBPLAVYOYTK-MRXNPFEDSA-N 2 0 327.513 1.048 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccc2cc[nH]c2c1 ZINC000905094130 592420040 /nfs/dbraw/zinc/42/00/40/592420040.db2.gz CZCHXNIGJOHYPY-RDJZCZTQSA-N 2 0 346.475 1.133 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000905157848 592424284 /nfs/dbraw/zinc/42/42/84/592424284.db2.gz DKUNUJORNIFJHI-WXSAJPJJSA-N 2 0 338.492 1.933 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CC[N@H+](C)C[C@@H]3C2)CC1 ZINC000908290059 592433430 /nfs/dbraw/zinc/43/34/30/592433430.db2.gz CIXZIMOGJVMNIG-ZWKOTPCHSA-N 2 0 336.524 1.203 20 0 EDADRP O[C@@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCCC1 ZINC000905197026 592447924 /nfs/dbraw/zinc/44/79/24/592447924.db2.gz TVGIMKKWEUFFQL-GOSISDBHSA-N 2 0 333.476 1.944 20 0 EDADRP Cc1c(-c2nc(CC3CC[NH2+]CC3)no2)nnn1C1CC[NH2+]CC1 ZINC000905319146 592496380 /nfs/dbraw/zinc/49/63/80/592496380.db2.gz TXXFAZOIMBAKLC-UHFFFAOYSA-N 2 0 331.424 1.103 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000905420224 592525930 /nfs/dbraw/zinc/52/59/30/592525930.db2.gz YHCVEFMUZWKXLP-UHFFFAOYSA-N 2 0 344.503 1.392 20 0 EDADRP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C)[C@H]2C)cc1 ZINC000905541866 592557262 /nfs/dbraw/zinc/55/72/62/592557262.db2.gz RJVOCGGZUQSBRK-WDYCEAGBSA-N 2 0 334.460 1.630 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000905523585 592560174 /nfs/dbraw/zinc/56/01/74/592560174.db2.gz XFXFWYABMHRAKD-RDJZCZTQSA-N 2 0 347.532 1.951 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000905523584 592560376 /nfs/dbraw/zinc/56/03/76/592560376.db2.gz XFXFWYABMHRAKD-NVXWUHKLSA-N 2 0 347.532 1.951 20 0 EDADRP CCNC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1 ZINC000905700778 592614803 /nfs/dbraw/zinc/61/48/03/592614803.db2.gz RFYAQCXOKKJWCI-CALCHBBNSA-N 2 0 343.475 1.236 20 0 EDADRP COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCS2 ZINC000905693220 592624311 /nfs/dbraw/zinc/62/43/11/592624311.db2.gz BFHWDMLBDNACMD-GWUWNPHMSA-N 2 0 342.505 1.250 20 0 EDADRP CC(C)[NH2+]Cc1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000905787482 592649259 /nfs/dbraw/zinc/64/92/59/592649259.db2.gz LOPJRJPVZPYQOA-QGZVFWFLSA-N 2 0 344.463 1.195 20 0 EDADRP C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905867032 592661531 /nfs/dbraw/zinc/66/15/31/592661531.db2.gz MFVXWBMKUYTPNI-JTDSTZFVSA-N 2 0 345.487 1.780 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000905883949 592667485 /nfs/dbraw/zinc/66/74/85/592667485.db2.gz LRGGKUDFFXHCMQ-LJQANCHMSA-N 2 0 344.503 1.433 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2cccnc2N2CCOCC2)C1 ZINC000905915691 592681012 /nfs/dbraw/zinc/68/10/12/592681012.db2.gz VFGHGNVQCGXZRR-KRWDZBQOSA-N 2 0 346.475 1.656 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589343 592723515 /nfs/dbraw/zinc/72/35/15/592723515.db2.gz TWHDDZQUSGMWQZ-JKSUJKDBSA-N 2 0 325.497 1.412 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000906093094 592740232 /nfs/dbraw/zinc/74/02/32/592740232.db2.gz MHWQWSAPQZJLDX-IBGZPJMESA-N 2 0 344.503 1.261 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000907755367 592778817 /nfs/dbraw/zinc/77/88/17/592778817.db2.gz IGUBUOXYTPEWCS-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000906393473 592808380 /nfs/dbraw/zinc/80/83/80/592808380.db2.gz HLDLZRSGCNRFKV-UHFFFAOYSA-N 2 0 338.540 1.642 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911112953 592935106 /nfs/dbraw/zinc/93/51/06/592935106.db2.gz IYYLUQWIAAJWJA-MRXNPFEDSA-N 2 0 338.496 1.016 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)C1 ZINC000911569406 592950875 /nfs/dbraw/zinc/95/08/75/592950875.db2.gz RZYYZCIEVPQPLJ-GBESFXJTSA-N 2 0 343.471 1.585 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)C12CC(C1)C[NH2+]2 ZINC000911735117 592992781 /nfs/dbraw/zinc/99/27/81/592992781.db2.gz GCQGAENPLNYBAO-UHFFFAOYSA-N 2 0 329.400 1.286 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2ccn(CCC[NH3+])n2)cc1 ZINC000911766214 593000632 /nfs/dbraw/zinc/00/06/32/593000632.db2.gz ZHISQKJHOVUGEU-MRXNPFEDSA-N 2 0 329.448 1.785 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)c2cccc3c2OCC[NH2+]C3)c1 ZINC000911760730 593006746 /nfs/dbraw/zinc/00/67/46/593006746.db2.gz FPHYFUUWDKDNJD-UHFFFAOYSA-N 2 0 327.384 1.758 20 0 EDADRP C[C@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000911823385 593017170 /nfs/dbraw/zinc/01/71/70/593017170.db2.gz YKPAMUUMMNODER-MAUKXSAKSA-N 2 0 333.476 1.755 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000911869445 593024523 /nfs/dbraw/zinc/02/45/23/593024523.db2.gz XIGIACBKQRKMRI-UHFFFAOYSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000912203760 593071482 /nfs/dbraw/zinc/07/14/82/593071482.db2.gz CQAYMGZEHBDJJL-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)nn1 ZINC000808387656 593256424 /nfs/dbraw/zinc/25/64/24/593256424.db2.gz XLRWBVFSJOOLJP-UHFFFAOYSA-N 2 0 342.491 1.693 20 0 EDADRP COc1cncc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000808724003 593282897 /nfs/dbraw/zinc/28/28/97/593282897.db2.gz SQSITKOSVCQPCA-UHFFFAOYSA-N 2 0 327.432 1.527 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2cccs2)CC1 ZINC000839550415 593338920 /nfs/dbraw/zinc/33/89/20/593338920.db2.gz DIINHJFMCINEMS-HNNXBMFYSA-N 2 0 339.505 1.750 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(C3OCCO3)s2)CC1(C)C ZINC000809660077 593352694 /nfs/dbraw/zinc/35/26/94/593352694.db2.gz AZFYCMSWVAIDFU-UHFFFAOYSA-N 2 0 340.493 1.304 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000811875061 593485015 /nfs/dbraw/zinc/48/50/15/593485015.db2.gz JONLRUPRGCAEEV-PMPSAXMXSA-N 2 0 326.485 1.269 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)CC[NH2+]CC1 ZINC000817910644 593647916 /nfs/dbraw/zinc/64/79/16/593647916.db2.gz XDSDIVBQJSBRSH-WBVHZDCISA-N 2 0 334.460 1.939 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2ccc(Cl)cc2)C1 ZINC000819004288 593733440 /nfs/dbraw/zinc/73/34/40/593733440.db2.gz MTTRYKOIYQVPGK-HOCLYGCPSA-N 2 0 339.867 1.550 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)cc1 ZINC000819011310 593733886 /nfs/dbraw/zinc/73/38/86/593733886.db2.gz OQWKKMWIOBOCRH-GOSISDBHSA-N 2 0 333.407 1.984 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819034960 593734874 /nfs/dbraw/zinc/73/48/74/593734874.db2.gz SUGORGYGOWRXRO-BLLLJJGKSA-N 2 0 329.847 1.738 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819059122 593736336 /nfs/dbraw/zinc/73/63/36/593736336.db2.gz VKNHHUQYWMKOLV-YOEHRIQHSA-N 2 0 341.446 1.861 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819390856 593753221 /nfs/dbraw/zinc/75/32/21/593753221.db2.gz UIOTXDOKJZEEQV-KRWDZBQOSA-N 2 0 325.884 1.989 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000822192069 594005834 /nfs/dbraw/zinc/00/58/34/594005834.db2.gz YAVPQJXFZJDGJK-UONOGXRCSA-N 2 0 327.436 1.799 20 0 EDADRP COc1c(F)nccc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000824820168 594079777 /nfs/dbraw/zinc/07/97/77/594079777.db2.gz VDBSQWRCYBWRDD-LBPRGKRZSA-N 2 0 326.416 1.231 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C=O)cn1C ZINC000822952918 594128067 /nfs/dbraw/zinc/12/80/67/594128067.db2.gz ZNYVXRHJSVQNHN-MRXNPFEDSA-N 2 0 334.464 1.326 20 0 EDADRP C[N@H+](CCCON1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000827877910 594295175 /nfs/dbraw/zinc/29/51/75/594295175.db2.gz JXHVXTDZEKNNJA-HNNXBMFYSA-N 2 0 345.443 1.878 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000831138127 594566211 /nfs/dbraw/zinc/56/62/11/594566211.db2.gz LDXQUJAWTXUMPF-HZPDHXFCSA-N 2 0 326.485 1.183 20 0 EDADRP C[NH+]1CCN(Cc2cc(Cl)cc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000827373585 594666196 /nfs/dbraw/zinc/66/61/96/594666196.db2.gz LRDKDKWGTQHHAT-UHFFFAOYSA-N 2 0 336.911 1.835 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000841068233 594846829 /nfs/dbraw/zinc/84/68/29/594846829.db2.gz LLCZOLVTBVBISR-KGLIPLIRSA-N 2 0 348.434 1.959 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847177 594964338 /nfs/dbraw/zinc/96/43/38/594964338.db2.gz RXELJGFBXGMBPH-LBPRGKRZSA-N 2 0 331.416 1.674 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C4(C[NH3+])CC4)n3)cn2)CC1 ZINC000843204649 595033384 /nfs/dbraw/zinc/03/33/84/595033384.db2.gz CYWPWTAGRLZJTI-UHFFFAOYSA-N 2 0 328.420 1.264 20 0 EDADRP CCN(CCO)CC[NH2+][C@@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404670 595102222 /nfs/dbraw/zinc/10/22/22/595102222.db2.gz WVSNHFQFDCMCEA-HUUCEWRRSA-N 2 0 329.485 1.536 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN(C(=O)COc2ccc(F)cc2)CC1 ZINC000846217815 595176854 /nfs/dbraw/zinc/17/68/54/595176854.db2.gz CWRXCLHDNUVFNS-UHFFFAOYSA-N 2 0 337.439 1.868 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(O)cc3)C2)C1 ZINC000846226488 595179337 /nfs/dbraw/zinc/17/93/37/595179337.db2.gz ZMNPKMOJUPEVAR-CKEIUWERSA-N 2 0 333.432 1.549 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000843083485 595282849 /nfs/dbraw/zinc/28/28/49/595282849.db2.gz XZFVWUGNKSFFQD-OALUTQOASA-N 2 0 349.519 1.215 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000844162439 595287994 /nfs/dbraw/zinc/28/79/94/595287994.db2.gz QOIAERASUSVTBC-ZWKOTPCHSA-N 2 0 333.476 1.954 20 0 EDADRP CN(C(=O)c1n[nH]c2c1C[NH2+]CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183134 595294810 /nfs/dbraw/zinc/29/48/10/595294810.db2.gz TYACVPPKMUIHBD-UHFFFAOYSA-N 2 0 343.431 1.272 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000846666132 595296001 /nfs/dbraw/zinc/29/60/01/595296001.db2.gz MTJVYRFAUGHBLJ-AWEZNQCLSA-N 2 0 345.443 1.924 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C3(OC)CC[NH2+]CC3)cc2)CC1 ZINC000844191726 595298305 /nfs/dbraw/zinc/29/83/05/595298305.db2.gz QVXLHSBADPHXNH-UHFFFAOYSA-N 2 0 346.475 1.536 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)ccn1 ZINC000843191541 595301857 /nfs/dbraw/zinc/30/18/57/595301857.db2.gz IMDUYKIIWLSNSJ-ZDUSSCGKSA-N 2 0 349.460 1.320 20 0 EDADRP Cn1c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cnc1Cl ZINC000848547745 595404574 /nfs/dbraw/zinc/40/45/74/595404574.db2.gz SGKCKQZNHXBSFB-INIZCTEOSA-N 2 0 334.851 1.930 20 0 EDADRP CN1CC[NH+](CCCCNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000849080016 595479006 /nfs/dbraw/zinc/47/90/06/595479006.db2.gz CPRDFURVQHYJGN-UHFFFAOYSA-N 2 0 325.407 1.929 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527058 595558186 /nfs/dbraw/zinc/55/81/86/595558186.db2.gz UFUGDBPOCCCGEG-SJORKVTESA-N 2 0 333.480 1.010 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000849557269 595565907 /nfs/dbraw/zinc/56/59/07/595565907.db2.gz FZISBBFVWJVBFH-OWSLCNJRSA-N 2 0 347.507 1.444 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849555644 595566063 /nfs/dbraw/zinc/56/60/63/595566063.db2.gz XTQXPYOJBIFYBF-FGTMMUONSA-N 2 0 347.507 1.398 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852857829 595578556 /nfs/dbraw/zinc/57/85/56/595578556.db2.gz HIQVBYAANFARKR-YOEHRIQHSA-N 2 0 344.459 1.638 20 0 EDADRP CCCC[N@H+](CCC(=O)NC(N)=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000857706509 595579934 /nfs/dbraw/zinc/57/99/34/595579934.db2.gz XKNYHISGCKYVEZ-UHFFFAOYSA-N 2 0 326.485 1.983 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)Nc2ccccc2C[NH+]2CCSCC2)=NO1 ZINC000852863619 595583791 /nfs/dbraw/zinc/58/37/91/595583791.db2.gz QBEIDJMKIBRCQJ-ZDUSSCGKSA-N 2 0 334.445 1.278 20 0 EDADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852872968 595591558 /nfs/dbraw/zinc/59/15/58/595591558.db2.gz UQCQXYSBNPVBKU-XHDPSFHLSA-N 2 0 327.388 1.462 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)cn1 ZINC000849608593 595594683 /nfs/dbraw/zinc/59/46/83/595594683.db2.gz QVNIHBSHGXVEON-IXDOHACOSA-N 2 0 347.507 1.444 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879617 595595053 /nfs/dbraw/zinc/59/50/53/595595053.db2.gz GBLQZFBDEYEPQD-UKRRQHHQSA-N 2 0 327.350 1.532 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)c3ccccn3)cc2)CC1 ZINC000853097791 595663978 /nfs/dbraw/zinc/66/39/78/595663978.db2.gz FKBWAHKFROHGPW-FQEVSTJZSA-N 2 0 340.471 1.652 20 0 EDADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000851634522 595862963 /nfs/dbraw/zinc/86/29/63/595862963.db2.gz HMVBYYMPDYIYNG-KRWDZBQOSA-N 2 0 338.411 1.548 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851666773 595875886 /nfs/dbraw/zinc/87/58/86/595875886.db2.gz IUJVUEVSTHZXMG-GXTWGEPZSA-N 2 0 330.423 1.690 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851665976 595875921 /nfs/dbraw/zinc/87/59/21/595875921.db2.gz CPMYDOARYUXACJ-AWEZNQCLSA-N 2 0 330.423 1.405 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853824171 595892451 /nfs/dbraw/zinc/89/24/51/595892451.db2.gz XFEBEVUYVAOGTI-CVEARBPZSA-N 2 0 327.517 1.042 20 0 EDADRP CC1(C)OC[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC000851913279 595971653 /nfs/dbraw/zinc/97/16/53/595971653.db2.gz VLMABLMOOIJPDZ-KRWDZBQOSA-N 2 0 326.481 1.962 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856584424 596021639 /nfs/dbraw/zinc/02/16/39/596021639.db2.gz JWFIDILQSKSYFL-WMLDXEAASA-N 2 0 332.448 1.123 20 0 EDADRP COC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856599642 596030629 /nfs/dbraw/zinc/03/06/29/596030629.db2.gz MFQVVKIQNHPMIP-AEFFLSMTSA-N 2 0 337.464 1.382 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N(C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000861570874 596032446 /nfs/dbraw/zinc/03/24/46/596032446.db2.gz ORSOSLLIHFDZSI-OAHLLOKOSA-N 2 0 348.491 1.896 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCOC[C@H]1[C@H]1CCC[NH+]1C ZINC000854642673 596145653 /nfs/dbraw/zinc/14/56/53/596145653.db2.gz QYAWXFLJGHJGIW-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000866697294 596297953 /nfs/dbraw/zinc/29/79/53/596297953.db2.gz MGZDYXOHMMUOES-SFHVURJKSA-N 2 0 343.471 1.710 20 0 EDADRP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710123 596303910 /nfs/dbraw/zinc/30/39/10/596303910.db2.gz VXUOOSNQLIFQFA-INMHGKMJSA-N 2 0 331.416 1.371 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000866714866 596306528 /nfs/dbraw/zinc/30/65/28/596306528.db2.gz ZFKRAZOLFLIZAN-BBWFWOEESA-N 2 0 333.407 1.625 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000870982058 596429407 /nfs/dbraw/zinc/42/94/07/596429407.db2.gz WSEYKBFDNGORIT-SFHVURJKSA-N 2 0 348.466 1.106 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000870989981 596431913 /nfs/dbraw/zinc/43/19/13/596431913.db2.gz STNOCCCVCCHILM-KRWDZBQOSA-N 2 0 334.468 1.040 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@@H](CCOC)NC(=O)OC(C)(C)C)CC1 ZINC000865403441 596564109 /nfs/dbraw/zinc/56/41/09/596564109.db2.gz GBYQURIMHWMNBT-OAHLLOKOSA-N 2 0 329.485 1.990 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000865451536 596579163 /nfs/dbraw/zinc/57/91/63/596579163.db2.gz RDCCTROQCLWBDR-UHFFFAOYSA-N 2 0 332.448 1.897 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000863548404 596614662 /nfs/dbraw/zinc/61/46/62/596614662.db2.gz QKQUMBLGOWQUKI-ZWKOTPCHSA-N 2 0 345.443 1.460 20 0 EDADRP CC(C)(C)OC(=O)N1CCCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863552703 596616193 /nfs/dbraw/zinc/61/61/93/596616193.db2.gz OGTLWSBENLOYTR-HOTGVXAUSA-N 2 0 341.496 1.822 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863568847 596621267 /nfs/dbraw/zinc/62/12/67/596621267.db2.gz PLYCUYLNSNQHLN-KRWDZBQOSA-N 2 0 332.492 1.308 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000867965097 596637825 /nfs/dbraw/zinc/63/78/25/596637825.db2.gz ZFJOTSVGZGUMFQ-STQMWFEESA-N 2 0 326.238 1.707 20 0 EDADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2nccn2c1 ZINC000870016608 596709009 /nfs/dbraw/zinc/70/90/09/596709009.db2.gz QCQBWKFCLOJQJZ-HZPDHXFCSA-N 2 0 343.475 1.454 20 0 EDADRP C[C@H]1CCn2ncc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2C1 ZINC000870017369 596709632 /nfs/dbraw/zinc/70/96/32/596709632.db2.gz LUXMOACVCIKFTL-ARFHVFGLSA-N 2 0 347.507 1.277 20 0 EDADRP CO[C@@H]1CCC[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018646 596710715 /nfs/dbraw/zinc/71/07/15/596710715.db2.gz UXWFGIFVSPJCBE-QBPKDAKJSA-N 2 0 325.497 1.389 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncc(F)cc2F)C[C@H]1C[NH+](C)C ZINC000870019335 596710751 /nfs/dbraw/zinc/71/07/51/596710751.db2.gz FJEWQHMBWOLIRJ-VXGBXAGGSA-N 2 0 326.391 1.171 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000868175261 596711326 /nfs/dbraw/zinc/71/13/26/596711326.db2.gz BDXXJKJTGBASBI-IXDOHACOSA-N 2 0 332.448 1.470 20 0 EDADRP Cc1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C(C)C)n1 ZINC000870020734 596712166 /nfs/dbraw/zinc/71/21/66/596712166.db2.gz FNCBRVUWKMYZOC-HZPDHXFCSA-N 2 0 347.507 1.720 20 0 EDADRP Cn1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc2ccccc21 ZINC000870022960 596713104 /nfs/dbraw/zinc/71/31/04/596713104.db2.gz GEOMHLJWPLCEKU-IAGOWNOFSA-N 2 0 342.487 1.990 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(-c3ccco3)on2)C[C@H]1C[NH+](C)C ZINC000870023512 596713733 /nfs/dbraw/zinc/71/37/33/596713733.db2.gz AVIMAVQCPWUZRD-ZIAGYGMSSA-N 2 0 346.431 1.746 20 0 EDADRP CCOc1ccccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023713 596714098 /nfs/dbraw/zinc/71/40/98/596714098.db2.gz JRZOEDDDHBJPNY-HZPDHXFCSA-N 2 0 333.476 1.897 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000868184561 596714567 /nfs/dbraw/zinc/71/45/67/596714567.db2.gz ANDCRFZXBUQRJD-FGTMMUONSA-N 2 0 346.475 1.860 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000868227203 596735555 /nfs/dbraw/zinc/73/55/55/596735555.db2.gz WJPKZBOULBXOGF-AFAVFJNCSA-N 2 0 342.443 1.040 20 0 EDADRP Cc1nnc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000866041576 596770064 /nfs/dbraw/zinc/77/00/64/596770064.db2.gz VVNSPPFLMJCVAU-VXGBXAGGSA-N 2 0 326.470 1.050 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000872142764 596809344 /nfs/dbraw/zinc/80/93/44/596809344.db2.gz CNLGHIKEAKPNIZ-TXTZMMAHSA-N 2 0 335.492 1.524 20 0 EDADRP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000872146082 596809968 /nfs/dbraw/zinc/80/99/68/596809968.db2.gz FEUQIYLIAXWCHS-IBGZPJMESA-N 2 0 334.483 1.800 20 0 EDADRP O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000872145979 596810475 /nfs/dbraw/zinc/81/04/75/596810475.db2.gz BBGRIVBWMZEIOI-SQNIBIBYSA-N 2 0 337.508 1.508 20 0 EDADRP COc1cc2c(cc1OC)[C@H](C)[N@H+](CCC(=O)N1CC[NH2+]CC1)CC2 ZINC000872154815 596815753 /nfs/dbraw/zinc/81/57/53/596815753.db2.gz BNEWMMMFDDDOGV-AWEZNQCLSA-N 2 0 347.459 1.445 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156455 596815843 /nfs/dbraw/zinc/81/58/43/596815843.db2.gz JXVFCZKGTBLWTJ-PBHICJAKSA-N 2 0 348.491 1.204 20 0 EDADRP COc1cc2c(cc1OC)[C@@H](C)[N@H+](CCC(=O)N1CC[NH2+]CC1)CC2 ZINC000872154817 596815986 /nfs/dbraw/zinc/81/59/86/596815986.db2.gz BNEWMMMFDDDOGV-CQSZACIVSA-N 2 0 347.459 1.445 20 0 EDADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157236 596816199 /nfs/dbraw/zinc/81/61/99/596816199.db2.gz NTYJHFPQLJQQKW-HOCLYGCPSA-N 2 0 331.526 1.545 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@]2(C)C[NH2+]CCO2)n1 ZINC000872175306 596820448 /nfs/dbraw/zinc/82/04/48/596820448.db2.gz OLCBNDMZXGNICK-KRWDZBQOSA-N 2 0 332.404 1.512 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000872215095 596839016 /nfs/dbraw/zinc/83/90/16/596839016.db2.gz PKAGSOMWYQJVOP-ROUUACIJSA-N 2 0 336.476 1.255 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000872285652 596867595 /nfs/dbraw/zinc/86/75/95/596867595.db2.gz BLXZNISLMPEIHU-ZWKOTPCHSA-N 2 0 337.508 1.997 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000872304988 596875345 /nfs/dbraw/zinc/87/53/45/596875345.db2.gz FCYREHZBWFEMLH-GBESFXJTSA-N 2 0 345.487 1.777 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H](C)C1 ZINC000866415340 596880990 /nfs/dbraw/zinc/88/09/90/596880990.db2.gz ZPRAFXPVDMDJIM-BZSNNMDCSA-N 2 0 341.540 1.558 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000875592469 596908868 /nfs/dbraw/zinc/90/88/68/596908868.db2.gz KMCLDRWWQQYQBM-INIZCTEOSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c2nccn21 ZINC000875646467 596932129 /nfs/dbraw/zinc/93/21/29/596932129.db2.gz VIJRBSSBWVSKGD-CABCVRRESA-N 2 0 347.463 1.643 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000875706122 596953899 /nfs/dbraw/zinc/95/38/99/596953899.db2.gz AFMBSXQJUQZRTD-JYJNAYRXSA-N 2 0 338.496 1.148 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCc2ccco2)C[C@H]1C[NH+](C)C ZINC000875750691 596972829 /nfs/dbraw/zinc/97/28/29/596972829.db2.gz LFOGGKXWWVDXEW-HZPDHXFCSA-N 2 0 336.480 1.593 20 0 EDADRP CC1=NO[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000875980339 597055195 /nfs/dbraw/zinc/05/51/95/597055195.db2.gz OGBVBCHSGUWHLE-OAHLLOKOSA-N 2 0 327.473 1.066 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000874434050 597076238 /nfs/dbraw/zinc/07/62/38/597076238.db2.gz YIRMOSCZDIMCJD-ZVZYQTTQSA-N 2 0 346.475 1.869 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000876109472 597094119 /nfs/dbraw/zinc/09/41/19/597094119.db2.gz MZDAQBMPXUOLQE-UPTPFMHGSA-N 2 0 340.512 1.395 20 0 EDADRP CN1Cc2ccccc2[C@@H]1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000876202307 597132391 /nfs/dbraw/zinc/13/23/91/597132391.db2.gz CPHNRDUSXCCANU-RDJZCZTQSA-N 2 0 346.475 1.318 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873111702 597199631 /nfs/dbraw/zinc/19/96/31/597199631.db2.gz FWJRSXCUDDOLLP-YVSFHVDLSA-N 2 0 342.443 1.135 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876524326 597230176 /nfs/dbraw/zinc/23/01/76/597230176.db2.gz NRAXAWKOEOSJDI-SFHVURJKSA-N 2 0 342.443 1.422 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](Cc3cc4c(s3)CC[NH2+]C4)CC2)CC1 ZINC000873221199 597231427 /nfs/dbraw/zinc/23/14/27/597231427.db2.gz GKBIQSOEDPBBNB-UHFFFAOYSA-N 3 0 334.533 1.606 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232150 597235071 /nfs/dbraw/zinc/23/50/71/597235071.db2.gz LVSRXMLRDBPUCK-PBHICJAKSA-N 2 0 348.491 1.204 20 0 EDADRP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000873282198 597248273 /nfs/dbraw/zinc/24/82/73/597248273.db2.gz GIVXFXCOCTWPCT-GARJFASQSA-N 2 0 332.313 1.905 20 0 EDADRP Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000875084823 597275244 /nfs/dbraw/zinc/27/52/44/597275244.db2.gz LHYRZICRCFGZNB-IAGOWNOFSA-N 2 0 333.480 1.271 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876719706 597304204 /nfs/dbraw/zinc/30/42/04/597304204.db2.gz SNUSZMFUNNBVJD-YJBOKZPZSA-N 2 0 332.492 1.424 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2c(C[NH3+])cnn2C)[NH+]2CCCC2)o1 ZINC000876750784 597321473 /nfs/dbraw/zinc/32/14/73/597321473.db2.gz WDDKFEHQKBEYKB-CQSZACIVSA-N 2 0 331.420 1.347 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781366 597338979 /nfs/dbraw/zinc/33/89/79/597338979.db2.gz GTTTYZWIASCAHA-RGDDUWESSA-N 2 0 329.448 1.328 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000876789567 597341353 /nfs/dbraw/zinc/34/13/53/597341353.db2.gz ZIZKPKZXRUBXKU-DLBZAZTESA-N 2 0 345.491 1.720 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000876827553 597353117 /nfs/dbraw/zinc/35/31/17/597353117.db2.gz CFWFEHOKBKLGHJ-OKZBNKHCSA-N 2 0 332.492 1.074 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876877635 597366447 /nfs/dbraw/zinc/36/64/47/597366447.db2.gz YRHFTSKBWOVCRC-LAQIPUCWSA-N 2 0 334.508 1.028 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)cc1 ZINC000876881497 597368435 /nfs/dbraw/zinc/36/84/35/597368435.db2.gz IAXDCHDEBAULRY-AVGNSLFASA-N 2 0 331.794 1.899 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2cccc(F)c2)CC1 ZINC000876965942 597400309 /nfs/dbraw/zinc/40/03/09/597400309.db2.gz LPYARDPFVROTDY-MRXNPFEDSA-N 2 0 340.439 1.390 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876972208 597402104 /nfs/dbraw/zinc/40/21/04/597402104.db2.gz RKDFGZVDAOZQJE-DOGOWXIXSA-N 2 0 334.508 1.025 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371543 597404585 /nfs/dbraw/zinc/40/45/85/597404585.db2.gz QPLHIQCZSCEWAF-RDJZCZTQSA-N 2 0 334.508 1.987 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000877116184 597436458 /nfs/dbraw/zinc/43/64/58/597436458.db2.gz LCQZLSWHHCPVKA-GOSISDBHSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C4CCC3(C[NH3+])CC4)cc2)CC1 ZINC000877188970 597456220 /nfs/dbraw/zinc/45/62/20/597456220.db2.gz KZSKEZXDRHWQKL-UHFFFAOYSA-N 2 0 342.487 1.530 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(CNC(=O)CCC3CC[NH2+]CC3)c2)nn1 ZINC000877206616 597461584 /nfs/dbraw/zinc/46/15/84/597461584.db2.gz JNNWXYVTZXZGCW-UHFFFAOYSA-N 2 0 342.447 1.122 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000877231752 597470510 /nfs/dbraw/zinc/47/05/10/597470510.db2.gz SIQUVRFXVUMSRX-PKOBYXMFSA-N 2 0 345.487 1.702 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C[C@H]2[NH3+])cc1 ZINC000877238029 597473986 /nfs/dbraw/zinc/47/39/86/597473986.db2.gz UCVDPVPZMDNQIQ-IMBTUZDBSA-N 2 0 331.460 1.856 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@]34CCC[NH2+]C4)C[C@H]2[NH3+])cc1 ZINC000877238607 597474559 /nfs/dbraw/zinc/47/45/59/597474559.db2.gz ITJHNBUKBMUTFO-FAJBIJEISA-N 2 0 329.444 1.338 20 0 EDADRP C[C@@]12CN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352084 597498813 /nfs/dbraw/zinc/49/88/13/597498813.db2.gz AUDIZFJTUDFSOE-HLNWXESRSA-N 2 0 343.471 1.331 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877358840 597500709 /nfs/dbraw/zinc/50/07/09/597500709.db2.gz DOFZZPYPRJXFDG-KBPBESRZSA-N 2 0 329.366 1.957 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877389419 597507695 /nfs/dbraw/zinc/50/76/95/597507695.db2.gz CPGABTVINCZASP-AZUAARDMSA-N 2 0 342.487 1.600 20 0 EDADRP Cn1c(Cl)nc(Cl)c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669577 597546432 /nfs/dbraw/zinc/54/64/32/597546432.db2.gz PCLOQLJRQXLAJU-VXGBXAGGSA-N 2 0 348.322 1.898 20 0 EDADRP Cn1ncc(C(F)(F)F)c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670310 597546544 /nfs/dbraw/zinc/54/65/44/597546544.db2.gz JAPAFSBUFYQKTE-CHWSQXEVSA-N 2 0 347.429 1.610 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000878080182 597576652 /nfs/dbraw/zinc/57/66/52/597576652.db2.gz GSRMKJGOTJQGDH-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CC2(CO1)CCOCC2 ZINC000878288536 597592717 /nfs/dbraw/zinc/59/27/17/597592717.db2.gz YIIXGDLYBNUWTM-XDNAFOTISA-N 2 0 338.492 1.756 20 0 EDADRP Cn1nnnc1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000878337092 597596580 /nfs/dbraw/zinc/59/65/80/597596580.db2.gz BRTHLECPZLSPBA-UHFFFAOYSA-N 2 0 329.452 1.386 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000878370643 597598016 /nfs/dbraw/zinc/59/80/16/597598016.db2.gz ZEEBWZFIXJBGPD-VQIMIIECSA-N 2 0 345.487 1.954 20 0 EDADRP C[NH+]1CC[C@@H]2CN(CCCCN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879578555 597640882 /nfs/dbraw/zinc/64/08/82/597640882.db2.gz UOAUPVGTUXSCLT-UAFMIMERSA-N 2 0 334.552 1.819 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416738 597739309 /nfs/dbraw/zinc/73/93/09/597739309.db2.gz CRXGAGAEBGPJDZ-KURKYZTESA-N 2 0 331.460 1.694 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883458841 597756900 /nfs/dbraw/zinc/75/69/00/597756900.db2.gz ZAPXBGRUTDGMLO-INIZCTEOSA-N 2 0 349.479 1.270 20 0 EDADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)c2)C1 ZINC000879990688 597799829 /nfs/dbraw/zinc/79/98/29/597799829.db2.gz FTDGSOGKVJSMGP-OALUTQOASA-N 2 0 345.487 1.682 20 0 EDADRP [NH3+][C@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586428 597815218 /nfs/dbraw/zinc/81/52/18/597815218.db2.gz LIRHZAHTOIXTJE-YOEHRIQHSA-N 2 0 329.448 1.536 20 0 EDADRP COCC[N@@H+](CC(=O)NCc1cccc(C)c1)CC1CC[NH+](C)CC1 ZINC000879124915 597826710 /nfs/dbraw/zinc/82/67/10/597826710.db2.gz IQURPOMQBIREHH-UHFFFAOYSA-N 2 0 347.503 1.901 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(C(=O)OC)CCC[C@H]23)CC1 ZINC000880178390 597866385 /nfs/dbraw/zinc/86/63/85/597866385.db2.gz DYLIUUYDGCIREZ-MAUKXSAKSA-N 2 0 337.464 1.005 20 0 EDADRP Cc1cc(NC(=O)CC[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)no1 ZINC000880261743 597886348 /nfs/dbraw/zinc/88/63/48/597886348.db2.gz MBAKNAOQWRMKQO-ZDUSSCGKSA-N 2 0 329.404 1.917 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884192603 598022233 /nfs/dbraw/zinc/02/22/33/598022233.db2.gz JVJBRKNIAIRPIS-WMLDXEAASA-N 2 0 328.460 1.838 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884204450 598027829 /nfs/dbraw/zinc/02/78/29/598027829.db2.gz VWPBEJXNGZQAIY-INIZCTEOSA-N 2 0 345.491 1.341 20 0 EDADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000884223897 598035409 /nfs/dbraw/zinc/03/54/09/598035409.db2.gz BAJZZCFMZZZRHM-SFHVURJKSA-N 2 0 348.491 1.767 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239255 598039427 /nfs/dbraw/zinc/03/94/27/598039427.db2.gz QISFDUGQSHQVCY-RDJZCZTQSA-N 2 0 331.460 1.889 20 0 EDADRP C[C@@]1(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000884248306 598042561 /nfs/dbraw/zinc/04/25/61/598042561.db2.gz OKBGLQDWBRPWDX-DZGCQCFKSA-N 2 0 340.265 1.955 20 0 EDADRP C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019108 598053975 /nfs/dbraw/zinc/05/39/75/598053975.db2.gz GFPOKFOYACAFTH-BORJPKMPSA-N 2 0 347.507 1.273 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884288216 598055861 /nfs/dbraw/zinc/05/58/61/598055861.db2.gz ZEXYGSVFYGQYEJ-APWZRJJASA-N 2 0 327.428 1.905 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000884300125 598058919 /nfs/dbraw/zinc/05/89/19/598058919.db2.gz PMAKESNGHBHQKB-AEFFLSMTSA-N 2 0 347.459 1.253 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCCO1 ZINC000884341691 598075497 /nfs/dbraw/zinc/07/54/97/598075497.db2.gz DYQUDYAULWQHQZ-STQMWFEESA-N 2 0 342.237 1.025 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1cccc(F)c1 ZINC000914059996 695046982 /nfs/dbraw/zinc/04/69/82/695046982.db2.gz YXRQWOSCSOTERZ-UHFFFAOYSA-N 2 0 345.484 1.123 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914160491 695171859 /nfs/dbraw/zinc/17/18/59/695171859.db2.gz FFCSOUZULKPIFR-CWRNSKLLSA-N 2 0 338.521 1.350 20 0 EDADRP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC000992689161 695211888 /nfs/dbraw/zinc/21/18/88/695211888.db2.gz HZWJPWGJFAOCBD-IXDOHACOSA-N 2 0 347.507 1.683 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC000992848133 695406503 /nfs/dbraw/zinc/40/65/03/695406503.db2.gz HLLQZDQHFFLUCV-KSZLIROESA-N 2 0 337.508 1.316 20 0 EDADRP CC[C@@H](CNC(=S)NCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000914704092 695627524 /nfs/dbraw/zinc/62/75/24/695627524.db2.gz OBWXQOQSTBKDPU-KRWDZBQOSA-N 2 0 334.533 1.849 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000993987254 696482972 /nfs/dbraw/zinc/48/29/72/696482972.db2.gz MFCZJXNZKWMNQS-PBHICJAKSA-N 2 0 333.480 1.437 20 0 EDADRP C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847169 697322462 /nfs/dbraw/zinc/32/24/62/697322462.db2.gz JEABHBBIWFRMHW-MRXNPFEDSA-N 2 0 337.508 1.414 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC000352744747 697333358 /nfs/dbraw/zinc/33/33/58/697333358.db2.gz QMWFITLOWRPKPE-SFHVURJKSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=S)NC2CC[NH+](C)CC2)C1 ZINC000920309771 697419468 /nfs/dbraw/zinc/41/94/68/697419468.db2.gz OAQCVVNMAQZTFI-HUUCEWRRSA-N 2 0 326.554 1.913 20 0 EDADRP C[NH+](C)[C@H](CNC(=S)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000920311138 697419955 /nfs/dbraw/zinc/41/99/55/697419955.db2.gz NMOIQDJWNLXRAV-MRXNPFEDSA-N 2 0 338.496 1.987 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000925480987 697448482 /nfs/dbraw/zinc/44/84/82/697448482.db2.gz XFGHQSUYUJFROZ-HNNXBMFYSA-N 2 0 342.447 1.191 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688266 697519976 /nfs/dbraw/zinc/51/99/76/697519976.db2.gz BYJVCIRIFGQJOP-ROUUACIJSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CC[NH+]1C ZINC000921326636 697566727 /nfs/dbraw/zinc/56/67/27/697566727.db2.gz OKKFGBDBOUFHGK-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C[N@@H+]1C1CC1 ZINC000921382453 697581403 /nfs/dbraw/zinc/58/14/03/697581403.db2.gz DJXYVUKRJTZPRG-BFJAYTPKSA-N 2 0 338.521 1.491 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031715610 697741596 /nfs/dbraw/zinc/74/15/96/697741596.db2.gz XKBMEHNZGAOEJN-IAGOWNOFSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001031729359 698051617 /nfs/dbraw/zinc/05/16/17/698051617.db2.gz LJAWWBIKVFXSSG-ROUUACIJSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)on1 ZINC000940119766 700253453 /nfs/dbraw/zinc/25/34/53/700253453.db2.gz IVBJEQGIDPAHIP-GDBMZVCRSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941475719 701551531 /nfs/dbraw/zinc/55/15/31/701551531.db2.gz XHGCYZJOMPPMOI-UHFFFAOYSA-N 2 0 339.443 1.186 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031765139 699050453 /nfs/dbraw/zinc/05/04/53/699050453.db2.gz BMNDBPPTUPKWSQ-ZWKOTPCHSA-N 2 0 335.492 1.478 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)cn1 ZINC001031765455 699051888 /nfs/dbraw/zinc/05/18/88/699051888.db2.gz HKFUCKYSDKMIBP-QZTJIDSGSA-N 2 0 345.491 1.028 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCc2nccn2C1 ZINC001031782712 699191720 /nfs/dbraw/zinc/19/17/20/699191720.db2.gz KEHIAUPAXHZRCC-KRWDZBQOSA-N 2 0 346.475 1.310 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCc3nccn3C2)C1)C1CCC1 ZINC001031783213 699208950 /nfs/dbraw/zinc/20/89/50/699208950.db2.gz UQEGWFVHPKLVDO-IRXDYDNUSA-N 2 0 346.475 1.309 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941567060 701579686 /nfs/dbraw/zinc/57/96/86/701579686.db2.gz PQNVDGORQRMGSV-HZPDHXFCSA-N 2 0 340.487 1.047 20 0 EDADRP C[C@@H](C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1)[NH+]1CCCCCC1 ZINC000941596055 701587547 /nfs/dbraw/zinc/58/75/47/701587547.db2.gz VBTVEJPTGVQCNK-KRWDZBQOSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939257043 699434222 /nfs/dbraw/zinc/43/42/22/699434222.db2.gz IULPSMULOPDVPG-RDTXWAMCSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939259925 699437999 /nfs/dbraw/zinc/43/79/99/699437999.db2.gz XLUBPSRQBMYNJX-CRAIPNDOSA-N 2 0 347.507 1.131 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)C12CCC[NH+]1CCC2 ZINC001031813471 699502058 /nfs/dbraw/zinc/50/20/58/699502058.db2.gz UJRQCUCGPNSWCJ-WMZOPIPTSA-N 2 0 333.476 1.089 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)cn1 ZINC000939395316 699545455 /nfs/dbraw/zinc/54/54/55/699545455.db2.gz GIKRACSKBFWANB-QAPCUYQASA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)o1 ZINC000939535634 699676443 /nfs/dbraw/zinc/67/64/43/699676443.db2.gz RCIWLHCGHJZJAW-IAQYHMDHSA-N 2 0 331.420 1.204 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccccc1F ZINC000939545348 699687358 /nfs/dbraw/zinc/68/73/58/699687358.db2.gz NRBFLXGVPHIENG-YOEHRIQHSA-N 2 0 331.435 1.858 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c(C)s1 ZINC000939546944 699689151 /nfs/dbraw/zinc/68/91/51/699689151.db2.gz UTQUEBLJIIGKRI-BLLLJJGKSA-N 2 0 348.516 1.792 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939547151 699689261 /nfs/dbraw/zinc/68/92/61/699689261.db2.gz WFLZFEJGBBGIFM-LRDDRELGSA-N 2 0 348.516 1.792 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cncn1C ZINC000939549976 699698632 /nfs/dbraw/zinc/69/86/32/699698632.db2.gz FCSDBLJBBMEFJX-XJKSGUPXSA-N 2 0 342.447 1.131 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000939552665 699702697 /nfs/dbraw/zinc/70/26/97/699702697.db2.gz ZZNHORXMXILDFO-UKRRQHHQSA-N 2 0 346.475 1.578 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941674456 701614422 /nfs/dbraw/zinc/61/44/22/701614422.db2.gz CAJCOQJDEQHYAQ-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939754124 699904275 /nfs/dbraw/zinc/90/42/75/699904275.db2.gz LCNIKARQEDYZCV-GUYCJALGSA-N 2 0 332.448 1.584 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)C1)c1ccn2c[nH+]cc2c1 ZINC000995007843 699913630 /nfs/dbraw/zinc/91/36/30/699913630.db2.gz QJYIETNSLJOJNA-JSGCOSHPSA-N 2 0 340.387 1.406 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939810543 699958862 /nfs/dbraw/zinc/95/88/62/699958862.db2.gz NNHUOUMDJFQTRK-NVXWUHKLSA-N 2 0 333.480 1.233 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940141674 700269362 /nfs/dbraw/zinc/26/93/62/700269362.db2.gz BDLYKCHRLUGMHS-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C3C[NH+](CC)C3)CC2)o1 ZINC000941682210 701627061 /nfs/dbraw/zinc/62/70/61/701627061.db2.gz ISEKCNAOPOXGLU-UHFFFAOYSA-N 2 0 348.491 1.583 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000940176989 700309981 /nfs/dbraw/zinc/30/99/81/700309981.db2.gz UHKFQCXXLVWZKC-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940284834 700474160 /nfs/dbraw/zinc/47/41/60/700474160.db2.gz VSXHQUAFKWIVQB-HNNXBMFYSA-N 2 0 349.475 1.962 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)[NH+](C)C ZINC000940306903 700489260 /nfs/dbraw/zinc/48/92/60/700489260.db2.gz PTLZACAFIDITKC-MRXNPFEDSA-N 2 0 335.496 1.477 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)[NH+](C)C ZINC000940337608 700495584 /nfs/dbraw/zinc/49/55/84/700495584.db2.gz WYIWFLRUXZGLJF-ZDUSSCGKSA-N 2 0 325.482 1.349 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940327815 700505379 /nfs/dbraw/zinc/50/53/79/700505379.db2.gz VHYGIEYFRQDGPA-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000940328580 700506751 /nfs/dbraw/zinc/50/67/51/700506751.db2.gz KZSFGYNDEDQNJS-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940329256 700508580 /nfs/dbraw/zinc/50/85/80/700508580.db2.gz SQXQEMIPQAZDOO-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940329255 700508701 /nfs/dbraw/zinc/50/87/01/700508701.db2.gz SQXQEMIPQAZDOO-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccns3)CC2)C1 ZINC000940329696 700509671 /nfs/dbraw/zinc/50/96/71/700509671.db2.gz XKCYJGOJJDKEQX-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@H](CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)n1ccnc1 ZINC000940357778 700528849 /nfs/dbraw/zinc/52/88/49/700528849.db2.gz KJHXURYBKLDONX-OAHLLOKOSA-N 2 0 344.463 1.739 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC000940392128 700568569 /nfs/dbraw/zinc/56/85/69/700568569.db2.gz LAJWQNRQHLKTCY-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000940427167 700621130 /nfs/dbraw/zinc/62/11/30/700621130.db2.gz AWYNDDMUXLUPSB-UHFFFAOYSA-N 2 0 332.448 1.550 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457890 700661868 /nfs/dbraw/zinc/66/18/68/700661868.db2.gz YWFCEBRZDHADSY-HNNXBMFYSA-N 2 0 348.495 1.281 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)CC[N@@H+]1C ZINC000940756542 700892091 /nfs/dbraw/zinc/89/20/91/700892091.db2.gz BAILJSRZKODGLI-XHSDSOJGSA-N 2 0 325.497 1.316 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940799975 700917098 /nfs/dbraw/zinc/91/70/98/700917098.db2.gz UNVDJXGXWRPNEF-SJORKVTESA-N 2 0 339.524 1.827 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995108112 700962068 /nfs/dbraw/zinc/96/20/68/700962068.db2.gz BHSGYDVPSUXHFO-LSDHHAIUSA-N 2 0 335.452 1.176 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078687 701140334 /nfs/dbraw/zinc/14/03/34/701140334.db2.gz ISZDQAYGXKZLLK-WBVHZDCISA-N 2 0 339.524 1.970 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078685 701140464 /nfs/dbraw/zinc/14/04/64/701140464.db2.gz ISZDQAYGXKZLLK-NVXWUHKLSA-N 2 0 339.524 1.970 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000995130682 701395458 /nfs/dbraw/zinc/39/54/58/701395458.db2.gz CUMVBPXEMHUCCN-WMZOPIPTSA-N 2 0 347.507 1.527 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221030 701411526 /nfs/dbraw/zinc/41/15/26/701411526.db2.gz KNYGFMGQKLBMAY-INIZCTEOSA-N 2 0 333.480 1.233 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)c1 ZINC000941237138 701427722 /nfs/dbraw/zinc/42/77/22/701427722.db2.gz ITWHKRDUIOSANK-SFHVURJKSA-N 2 0 347.503 1.961 20 0 EDADRP Cc1ncc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)o1 ZINC000946518531 706604166 /nfs/dbraw/zinc/60/41/66/706604166.db2.gz VTSAYNMVRWNWQU-JZXOWHBKSA-N 2 0 346.475 1.748 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)C1 ZINC000941455701 701542700 /nfs/dbraw/zinc/54/27/00/701542700.db2.gz AWMQGLIYORQVQN-UHFFFAOYSA-N 2 0 327.432 1.413 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]CCC3CCOCC3)C2)CC[N@@H+]1C ZINC000999188664 706630001 /nfs/dbraw/zinc/63/00/01/706630001.db2.gz CJRFQEKLHIBIHS-KBAYOESNSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000999189335 706631265 /nfs/dbraw/zinc/63/12/65/706631265.db2.gz KFIIGTNSTQCECY-BZUAXINKSA-N 2 0 348.491 1.966 20 0 EDADRP CC[C@@H](C(=O)N1CC(NC(=O)c2ccc(C[NH+](C)C)cc2)C1)[NH+](C)C ZINC000995799756 702041784 /nfs/dbraw/zinc/04/17/84/702041784.db2.gz JPDYICUTUJNVLH-KRWDZBQOSA-N 2 0 346.475 1.029 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995898433 702203030 /nfs/dbraw/zinc/20/30/30/702203030.db2.gz UQYBWCOVEUICKT-CVEARBPZSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCOC3)C(C)(C)C2)CCC1 ZINC000995889540 702230157 /nfs/dbraw/zinc/23/01/57/702230157.db2.gz WABGZDHZGFQKHO-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CCF ZINC000995891185 702233382 /nfs/dbraw/zinc/23/33/82/702233382.db2.gz CPNFTUQTHLVDMX-JKSUJKDBSA-N 2 0 341.471 1.426 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1C ZINC001032186338 702323014 /nfs/dbraw/zinc/32/30/14/702323014.db2.gz OGBKJENEDGXLMI-QGZVFWFLSA-N 2 0 331.460 1.503 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)on1 ZINC000995984924 702345846 /nfs/dbraw/zinc/34/58/46/702345846.db2.gz VZBUURYUPPNNCA-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995986615 702348968 /nfs/dbraw/zinc/34/89/68/702348968.db2.gz ZCUCWHLDANDCQY-GDBMZVCRSA-N 2 0 334.464 1.794 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995972431 702357275 /nfs/dbraw/zinc/35/72/75/702357275.db2.gz DTJDWEVMMJZPCJ-HOTGVXAUSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)sn1 ZINC000944168257 702407676 /nfs/dbraw/zinc/40/76/76/702407676.db2.gz IGLVXTSHFQNWJO-CZUORRHYSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1nc(CN2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)co1 ZINC000944171182 702415619 /nfs/dbraw/zinc/41/56/19/702415619.db2.gz XIWDQCCZMRUPMS-CZUORRHYSA-N 2 0 332.448 1.405 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154125 702443597 /nfs/dbraw/zinc/44/35/97/702443597.db2.gz KCQMKXMEMDPZQP-RDJZCZTQSA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccns3)C(C)(C)C2)CC1 ZINC000996225136 702634526 /nfs/dbraw/zinc/63/45/26/702634526.db2.gz ZZWVINUQAZMNDO-HNNXBMFYSA-N 2 0 336.505 1.812 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](CNCc2nc(C3CC3)no2)C1 ZINC000995207290 702663779 /nfs/dbraw/zinc/66/37/79/702663779.db2.gz DNNRGWQXVHNPLD-UKRRQHHQSA-N 2 0 347.463 1.417 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208151 702670348 /nfs/dbraw/zinc/67/03/48/702670348.db2.gz GSVXZPVWLFUBLO-HOTGVXAUSA-N 2 0 348.495 1.329 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995209775 702676440 /nfs/dbraw/zinc/67/64/40/702676440.db2.gz LIMQYXTWFAMYTA-GJZGRUSLSA-N 2 0 336.505 1.922 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)on1 ZINC000996293009 702685483 /nfs/dbraw/zinc/68/54/83/702685483.db2.gz AEIMJHNGJSAEPU-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)on1 ZINC000996300050 702690953 /nfs/dbraw/zinc/69/09/53/702690953.db2.gz JFYUYCMACWHBPN-GDBMZVCRSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300205 702691549 /nfs/dbraw/zinc/69/15/49/702691549.db2.gz KGZGRXMOWTXMJA-WMLDXEAASA-N 2 0 347.507 1.539 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000996300855 702692621 /nfs/dbraw/zinc/69/26/21/702692621.db2.gz OWCKBRNRHGOOJT-CABCVRRESA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC000996465769 702793180 /nfs/dbraw/zinc/79/31/80/702793180.db2.gz YNMURLCLBDJOJE-CJNGLKHVSA-N 2 0 348.495 1.628 20 0 EDADRP CCc1noc(CN[C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996512092 702831335 /nfs/dbraw/zinc/83/13/35/702831335.db2.gz AOGYAUPFPMTFTR-UONOGXRCSA-N 2 0 349.479 1.300 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996517692 702853206 /nfs/dbraw/zinc/85/32/06/702853206.db2.gz GMGFTAXBMUMLGG-WBVHZDCISA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000996561500 702875421 /nfs/dbraw/zinc/87/54/21/702875421.db2.gz PTNFQPXFJLDLNR-MLGOLLRUSA-N 2 0 346.479 1.097 20 0 EDADRP Cc1csc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996607738 702911251 /nfs/dbraw/zinc/91/12/51/702911251.db2.gz DVWDSJFGBDGRMD-KGLIPLIRSA-N 2 0 336.505 1.730 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC000996604201 702913748 /nfs/dbraw/zinc/91/37/48/702913748.db2.gz SQNYEHNCJSCKSP-RYQLBKOJSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)c1 ZINC000996612332 702917282 /nfs/dbraw/zinc/91/72/82/702917282.db2.gz QOIYARHCNZBUAZ-KRWDZBQOSA-N 2 0 346.475 1.513 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cscn3)CC2)CC[N@@H+]1C ZINC000996613414 702918259 /nfs/dbraw/zinc/91/82/59/702918259.db2.gz YWWGYUDTJPPPMD-JKSUJKDBSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)c1 ZINC000996609340 702920295 /nfs/dbraw/zinc/92/02/95/702920295.db2.gz FYSMYOYHHUKVBB-QGZVFWFLSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)CC[N@@H+]1C ZINC000996610120 702920920 /nfs/dbraw/zinc/92/09/20/702920920.db2.gz YOWDVEUXXZWHOA-DJIMGWMZSA-N 2 0 337.508 1.722 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617450 702924447 /nfs/dbraw/zinc/92/44/47/702924447.db2.gz AWFCSCQLYMXXGB-IRXDYDNUSA-N 2 0 349.500 1.692 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996661330 702958476 /nfs/dbraw/zinc/95/84/76/702958476.db2.gz WVZJFLKBZHZQMU-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000996661595 702959149 /nfs/dbraw/zinc/95/91/49/702959149.db2.gz MKDRZFZTFQWWQN-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)ncn1 ZINC000996662221 702959816 /nfs/dbraw/zinc/95/98/16/702959816.db2.gz DPBUSFBANZLKKO-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)C1CCC1 ZINC000996664017 702962050 /nfs/dbraw/zinc/96/20/50/702962050.db2.gz CJQROJILVCIYGC-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000996670946 702972333 /nfs/dbraw/zinc/97/23/33/702972333.db2.gz LIONNBXYOAAWLX-HZPDHXFCSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)s1 ZINC000996679181 702978214 /nfs/dbraw/zinc/97/82/14/702978214.db2.gz QISSOABBCLMQMD-INIZCTEOSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000996688324 702985651 /nfs/dbraw/zinc/98/56/51/702985651.db2.gz IAEDQKZBUIHUFP-QGZVFWFLSA-N 2 0 345.491 1.740 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC000996711034 703005714 /nfs/dbraw/zinc/00/57/14/703005714.db2.gz IMSPSPBWGRXGCO-OAHLLOKOSA-N 2 0 336.480 1.966 20 0 EDADRP Cc1cncn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cccnc2C)C[C@@H]1C ZINC000942518348 703013242 /nfs/dbraw/zinc/01/32/42/703013242.db2.gz QOIAFCWPJGGGBG-KBXCAEBGSA-N 2 0 341.459 1.922 20 0 EDADRP O=C(N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996727341 703022564 /nfs/dbraw/zinc/02/25/64/703022564.db2.gz KDWNCGQDVNVBFF-KRWDZBQOSA-N 2 0 349.519 1.870 20 0 EDADRP C[C@@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942529212 703030127 /nfs/dbraw/zinc/03/01/27/703030127.db2.gz HCWDCOBYPQUONF-QAPCUYQASA-N 2 0 333.476 1.223 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)[nH]1 ZINC000996772719 703062559 /nfs/dbraw/zinc/06/25/59/703062559.db2.gz ZBEXVJCEZAGQFB-CYBMUJFWSA-N 2 0 346.479 1.383 20 0 EDADRP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597140 703112074 /nfs/dbraw/zinc/11/20/74/703112074.db2.gz JCHRSDHTWQOGBN-MAUKXSAKSA-N 2 0 330.476 1.750 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996854938 703133270 /nfs/dbraw/zinc/13/32/70/703133270.db2.gz DSAQSURKGIVBMY-MRXNPFEDSA-N 2 0 349.504 1.493 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867460 703140351 /nfs/dbraw/zinc/14/03/51/703140351.db2.gz ITIBAVVWJLOAGE-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996860791 703144127 /nfs/dbraw/zinc/14/41/27/703144127.db2.gz WLEHKEUUGYYDPL-MRXNPFEDSA-N 2 0 333.436 1.025 20 0 EDADRP CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995267469 703187598 /nfs/dbraw/zinc/18/75/98/703187598.db2.gz LIEUGRSNQFPNHM-ZWKOTPCHSA-N 2 0 330.476 1.704 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC000996923013 703194069 /nfs/dbraw/zinc/19/40/69/703194069.db2.gz QEYPCLSAVVDTLS-HOTGVXAUSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996942634 703212050 /nfs/dbraw/zinc/21/20/50/703212050.db2.gz FTPKLFXERIITRO-UHFFFAOYSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996945340 703214173 /nfs/dbraw/zinc/21/41/73/703214173.db2.gz IBSCNELCLUBCTQ-CQSZACIVSA-N 2 0 334.464 1.966 20 0 EDADRP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942721050 703235506 /nfs/dbraw/zinc/23/55/06/703235506.db2.gz KUHNPQNSBFMVKF-YJBOKZPZSA-N 2 0 333.476 1.223 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC000996998956 703255981 /nfs/dbraw/zinc/25/59/81/703255981.db2.gz KXXUWRZUJNNBPO-ZDUSSCGKSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997004801 703262022 /nfs/dbraw/zinc/26/20/22/703262022.db2.gz GTQBHAHMVHXRCY-OAHLLOKOSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)sn1 ZINC000997006309 703263479 /nfs/dbraw/zinc/26/34/79/703263479.db2.gz KSKJNYVKWKPECJ-ZDUSSCGKSA-N 2 0 336.505 1.874 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ncnn2C(C)C)CC1)[NH+](C)C ZINC000997009174 703269661 /nfs/dbraw/zinc/26/96/61/703269661.db2.gz IEWLNWVTHRRRLF-HNNXBMFYSA-N 2 0 336.484 1.280 20 0 EDADRP CCc1nnc(CNC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997009210 703269754 /nfs/dbraw/zinc/26/97/54/703269754.db2.gz YRSOLVMARWOEIS-CYBMUJFWSA-N 2 0 335.452 1.054 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccnc(OC)c2)CC1)[NH+](C)C ZINC000997010372 703270701 /nfs/dbraw/zinc/27/07/01/703270701.db2.gz URFNWCKVRSEZOZ-INIZCTEOSA-N 2 0 334.464 1.511 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997011383 703271639 /nfs/dbraw/zinc/27/16/39/703271639.db2.gz VHNZOIKFKCFIME-CZUORRHYSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000997013187 703272839 /nfs/dbraw/zinc/27/28/39/703272839.db2.gz ZAJIJWPUBAPPFO-MLGOLLRUSA-N 2 0 334.464 1.570 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000997013190 703272992 /nfs/dbraw/zinc/27/29/92/703272992.db2.gz ZAJIJWPUBAPPFO-WBMJQRKESA-N 2 0 334.464 1.570 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC2)n1 ZINC001032408765 703436122 /nfs/dbraw/zinc/43/61/22/703436122.db2.gz HEXSGOXHNITMAB-HOTGVXAUSA-N 2 0 331.464 1.144 20 0 EDADRP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408713 703436175 /nfs/dbraw/zinc/43/61/75/703436175.db2.gz DKROAXNHUYCCFG-OKYOBFRVSA-N 2 0 349.519 1.819 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)nn1 ZINC000997176654 703461145 /nfs/dbraw/zinc/46/11/45/703461145.db2.gz AEIDTSPPVHKEPA-WMLDXEAASA-N 2 0 348.495 1.016 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997181984 703466831 /nfs/dbraw/zinc/46/68/31/703466831.db2.gz FJSLCIDCLIBMFI-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997184058 703469638 /nfs/dbraw/zinc/46/96/38/703469638.db2.gz LXJUBPPJMXCPGM-LSDHHAIUSA-N 2 0 334.464 1.966 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997189443 703479561 /nfs/dbraw/zinc/47/95/61/703479561.db2.gz YKFJTEUSVMQZRA-UHFFFAOYSA-N 2 0 344.419 1.233 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000997260510 703539717 /nfs/dbraw/zinc/53/97/17/703539717.db2.gz IOBVURPFGIHJMU-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997300511 703544140 /nfs/dbraw/zinc/54/41/40/703544140.db2.gz WJWVXWWKXCICKS-STQMWFEESA-N 2 0 335.452 1.225 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997300886 703544521 /nfs/dbraw/zinc/54/45/21/703544521.db2.gz YWHVJDAEXNDYJL-CQSZACIVSA-N 2 0 336.505 1.792 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997297203 703555570 /nfs/dbraw/zinc/55/55/70/703555570.db2.gz CUGLYQFJXQLNMT-OAHLLOKOSA-N 2 0 332.448 1.123 20 0 EDADRP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)n1 ZINC000997297867 703556114 /nfs/dbraw/zinc/55/61/14/703556114.db2.gz GQYUPDKSQUMLHU-QGZVFWFLSA-N 2 0 330.476 1.731 20 0 EDADRP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997297951 703556148 /nfs/dbraw/zinc/55/61/48/703556148.db2.gz HRUMVAGMIWPQGT-GFCCVEGCSA-N 2 0 337.493 1.133 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997345416 703575424 /nfs/dbraw/zinc/57/54/24/703575424.db2.gz NPDIRBWXVBEYBM-HZPDHXFCSA-N 2 0 347.503 1.959 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000997366906 703600921 /nfs/dbraw/zinc/60/09/21/703600921.db2.gz PGNXIGBZDCBZGX-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ncc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H](C(C)C)[NH+](C)C)s1 ZINC001032459928 703632513 /nfs/dbraw/zinc/63/25/13/703632513.db2.gz VDBARUDSNSTYEU-DZKIICNBSA-N 2 0 336.505 1.823 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997420322 703670268 /nfs/dbraw/zinc/67/02/68/703670268.db2.gz HEZYTIGLLXRVPL-QAPCUYQASA-N 2 0 330.476 1.750 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1 ZINC001032500956 703817698 /nfs/dbraw/zinc/81/76/98/703817698.db2.gz MZBBXVVZOZGIGX-WBAXXEDZSA-N 2 0 340.427 1.660 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997611488 703911322 /nfs/dbraw/zinc/91/13/22/703911322.db2.gz FWDXAWFDLZJGAX-QGZVFWFLSA-N 2 0 333.480 1.325 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001004201927 703931705 /nfs/dbraw/zinc/93/17/05/703931705.db2.gz BDLOQCORSWHAAO-GJZGRUSLSA-N 2 0 333.480 1.374 20 0 EDADRP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CC[NH+](CCCO)CC1 ZINC000997635380 703936729 /nfs/dbraw/zinc/93/67/29/703936729.db2.gz FEZDSNFWNJKFMU-INIZCTEOSA-N 2 0 337.508 1.462 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)c1 ZINC000995551353 703956326 /nfs/dbraw/zinc/95/63/26/703956326.db2.gz MFXYCOJDEPQCFL-IAGOWNOFSA-N 2 0 346.475 1.511 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000999291204 706786520 /nfs/dbraw/zinc/78/65/20/706786520.db2.gz QIKSQFDVAKNSOJ-WWDZGPRUSA-N 2 0 347.507 1.584 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3C)C2)C1 ZINC000999291178 706786571 /nfs/dbraw/zinc/78/65/71/706786571.db2.gz PNFPOABFGLOCQH-QQFBHYJXSA-N 2 0 348.495 1.016 20 0 EDADRP COc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093753 704171359 /nfs/dbraw/zinc/17/13/59/704171359.db2.gz DIIOUIJVFOQLFY-HYVNUMGLSA-N 2 0 346.475 1.463 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](Cc4cnon4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595154 704271118 /nfs/dbraw/zinc/27/11/18/704271118.db2.gz LEQFQIOELIUFEI-PNBKFKSVSA-N 2 0 347.463 1.080 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccnc2C)C1 ZINC000999307445 706807646 /nfs/dbraw/zinc/80/76/46/706807646.db2.gz OGUHBPFLABRIQK-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000922834304 704399559 /nfs/dbraw/zinc/39/95/59/704399559.db2.gz JWVOUZIDULVHTK-HOTGVXAUSA-N 2 0 345.472 1.713 20 0 EDADRP C[C@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000922878606 704444549 /nfs/dbraw/zinc/44/45/49/704444549.db2.gz OSNVQHXTGJKJOQ-LLLHUVSDSA-N 2 0 331.464 1.466 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000997786467 704692473 /nfs/dbraw/zinc/69/24/73/704692473.db2.gz QOEOVZXXFVVPQV-RHSMWYFYSA-N 2 0 333.480 1.089 20 0 EDADRP CC(C)C[NH+]1CCC([C@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997794609 704702967 /nfs/dbraw/zinc/70/29/67/704702967.db2.gz TXJBLTDGWDXREQ-INIZCTEOSA-N 2 0 349.523 1.931 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)on1 ZINC000997822471 704742206 /nfs/dbraw/zinc/74/22/06/704742206.db2.gz DXDZXVTTZPQKMQ-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997826113 704745111 /nfs/dbraw/zinc/74/51/11/704745111.db2.gz JMGFCZLPJZAIJV-INIZCTEOSA-N 2 0 349.479 1.376 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831471 704749410 /nfs/dbraw/zinc/74/94/10/704749410.db2.gz SWYZWSHNPFAYRN-SFHVURJKSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831050 704751525 /nfs/dbraw/zinc/75/15/25/704751525.db2.gz PDMIAZVDWOMBJX-KRWDZBQOSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997860761 704771379 /nfs/dbraw/zinc/77/13/79/704771379.db2.gz CUFNEHIXFSWVSE-CJNGLKHVSA-N 2 0 349.479 1.752 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1ncccn1 ZINC000997866093 704772931 /nfs/dbraw/zinc/77/29/31/704772931.db2.gz QCMUAWZIROYFDV-WBVHZDCISA-N 2 0 345.491 1.850 20 0 EDADRP Cc1nccnc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997868313 704773655 /nfs/dbraw/zinc/77/36/55/704773655.db2.gz SUOGSIZMUBGPER-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945911 704798964 /nfs/dbraw/zinc/79/89/64/704798964.db2.gz UIUWXWMWQFMJKF-GDBMZVCRSA-N 2 0 348.495 1.029 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC001032573864 704952544 /nfs/dbraw/zinc/95/25/44/704952544.db2.gz VBKVUVSHBLFTKU-VJANTYMQSA-N 2 0 349.519 1.961 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998054146 705259051 /nfs/dbraw/zinc/25/90/51/705259051.db2.gz VYRXPZXURMKGBV-INIZCTEOSA-N 2 0 344.459 1.952 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ccns3)CC2)C1 ZINC000998080921 705300336 /nfs/dbraw/zinc/30/03/36/705300336.db2.gz FWLAQDOGFQUPHP-CQSZACIVSA-N 2 0 336.505 1.813 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)[NH+](C)C ZINC000998084565 705315494 /nfs/dbraw/zinc/31/54/94/705315494.db2.gz CHTQFOHKTNWGRW-KRWDZBQOSA-N 2 0 336.455 1.889 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](C[C@@H](C)OC)CC1 ZINC000998175235 705470670 /nfs/dbraw/zinc/47/06/70/705470670.db2.gz AZXKXELACXVUMU-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000998221892 705547875 /nfs/dbraw/zinc/54/78/75/705547875.db2.gz JCXLFLWFOIHGHO-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000998222764 705549130 /nfs/dbraw/zinc/54/91/30/705549130.db2.gz LNIVYJOZOIGGQV-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1)[NH+](C)C ZINC001032610969 705580821 /nfs/dbraw/zinc/58/08/21/705580821.db2.gz BBKNCPUHHXSHSC-SOUVJXGZSA-N 2 0 329.435 1.903 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)C[C@H]2C)o1 ZINC000945332280 705644053 /nfs/dbraw/zinc/64/40/53/705644053.db2.gz BVYHDNNEHCDSOK-GDBMZVCRSA-N 2 0 337.464 1.554 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1C ZINC000998268723 705645173 /nfs/dbraw/zinc/64/51/73/705645173.db2.gz IHDKDTDZTHFCOW-UHFFFAOYSA-N 2 0 333.480 1.153 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000998274289 705655297 /nfs/dbraw/zinc/65/52/97/705655297.db2.gz SLSCQJHLCIIZNT-SFHVURJKSA-N 2 0 345.487 1.975 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@@]3(C2)CCC[N@H+](CCO)C3)CC1 ZINC001040479400 705671152 /nfs/dbraw/zinc/67/11/52/705671152.db2.gz QMNSMMCERICJAH-IBGZPJMESA-N 2 0 337.508 1.414 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000998288549 705688687 /nfs/dbraw/zinc/68/86/87/705688687.db2.gz VZRVYBJPKDIGQK-GJZGRUSLSA-N 2 0 348.495 1.016 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2csc(Cl)n2)C1 ZINC000998730223 706162424 /nfs/dbraw/zinc/16/24/24/706162424.db2.gz JLPGTDSREUMKJA-YPMHNXCESA-N 2 0 342.896 1.971 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000998865740 706295680 /nfs/dbraw/zinc/29/56/80/706295680.db2.gz HXFWBDSTVVDYCZ-YMAMQOFZSA-N 2 0 334.468 1.067 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998980024 706410822 /nfs/dbraw/zinc/41/08/22/706410822.db2.gz KQTKFGYJIZBQLB-UHFFFAOYSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999123480 706548239 /nfs/dbraw/zinc/54/82/39/706548239.db2.gz LASCXGXMJPBXKQ-NXVRBGIVSA-N 2 0 342.443 1.954 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142642 706556018 /nfs/dbraw/zinc/55/60/18/706556018.db2.gz CFPSFUANCHWALT-IRXDYDNUSA-N 2 0 347.507 1.856 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999320409 706820055 /nfs/dbraw/zinc/82/00/55/706820055.db2.gz VUPFLIWERNZYMV-UHFFFAOYSA-N 2 0 345.447 1.431 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999321034 706821507 /nfs/dbraw/zinc/82/15/07/706821507.db2.gz YIYIQIQEVCEUPF-ODIFPOPNSA-N 2 0 349.475 1.960 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC(NCc2csnn2)C1 ZINC000999316270 706823630 /nfs/dbraw/zinc/82/36/30/706823630.db2.gz FNAIGHVEYNBRDY-UHFFFAOYSA-N 2 0 349.460 1.586 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999348655 706860693 /nfs/dbraw/zinc/86/06/93/706860693.db2.gz OJEQRDNNTSLKKI-QGZVFWFLSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999348357 706860712 /nfs/dbraw/zinc/86/07/12/706860712.db2.gz NZAZZCURTYWJSG-QGZVFWFLSA-N 2 0 330.476 1.955 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000999350024 706862527 /nfs/dbraw/zinc/86/25/27/706862527.db2.gz VWPVOXXFPPGKDJ-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nnc([C@H](C)N[C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999350778 706863128 /nfs/dbraw/zinc/86/31/28/706863128.db2.gz BNDKOYBTYTYNCT-GXTWGEPZSA-N 2 0 335.452 1.504 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362287 706875668 /nfs/dbraw/zinc/87/56/68/706875668.db2.gz AKAQXYRUXZPOOZ-ROUUACIJSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999397935 706892243 /nfs/dbraw/zinc/89/22/43/706892243.db2.gz AJXWCFSGTCVNGA-ZWKOTPCHSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)[nH]1 ZINC000999406603 706915443 /nfs/dbraw/zinc/91/54/43/706915443.db2.gz OMXLSGZGYXQLQY-WLYUNCDWSA-N 2 0 348.495 1.491 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1)[NH+]1CCCCCC1 ZINC000999504363 707001564 /nfs/dbraw/zinc/00/15/64/707001564.db2.gz ZVSIEUBKGRVWLM-KLAILNCOSA-N 2 0 347.507 1.764 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999597943 707100434 /nfs/dbraw/zinc/10/04/34/707100434.db2.gz SNZPULVJDOFHNH-QGZVFWFLSA-N 2 0 345.491 1.172 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999618361 707137895 /nfs/dbraw/zinc/13/78/95/707137895.db2.gz FVWFAYKRDDGGDF-OAHLLOKOSA-N 2 0 338.415 1.462 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999687760 707241548 /nfs/dbraw/zinc/24/15/48/707241548.db2.gz JGQQBTIICSYUTN-VIQWUECVSA-N 2 0 345.487 1.600 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999688525 707243527 /nfs/dbraw/zinc/24/35/27/707243527.db2.gz NUIPHDLUSJPDGR-ZLPCBKJTSA-N 2 0 347.507 1.885 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999689303 707244328 /nfs/dbraw/zinc/24/43/28/707244328.db2.gz RFHJAGDDXWKCHO-JEYLPNPQSA-N 2 0 346.475 1.973 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999690057 707246513 /nfs/dbraw/zinc/24/65/13/707246513.db2.gz UVXKBBSGTJHGMG-UQPPLGOBSA-N 2 0 331.464 1.206 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033294787 707419835 /nfs/dbraw/zinc/41/98/35/707419835.db2.gz FNPMNOJMXQYWPH-ZWKOTPCHSA-N 2 0 345.491 1.290 20 0 EDADRP C[C@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001004847889 707446170 /nfs/dbraw/zinc/44/61/70/707446170.db2.gz BBFAOCICYMJQOH-YJBOKZPZSA-N 2 0 347.507 1.828 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2noc3c2CCCC3)C1 ZINC000999832563 707464010 /nfs/dbraw/zinc/46/40/10/707464010.db2.gz TWVGSFVWBCHILE-WLYUNCDWSA-N 2 0 346.475 1.584 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999834208 707466820 /nfs/dbraw/zinc/46/68/20/707466820.db2.gz UHOQDIPGRVUENP-UHFFFAOYSA-N 2 0 332.448 1.727 20 0 EDADRP CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)C34CCC[NH+](CCC3)C4)nn2)C1 ZINC000999991871 707667689 /nfs/dbraw/zinc/66/76/89/707667689.db2.gz LXPUWVAAMGIAPM-MRXNPFEDSA-N 2 0 346.479 1.037 20 0 EDADRP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC001004946043 707714909 /nfs/dbraw/zinc/71/49/09/707714909.db2.gz KLWIOGVMNGJSOZ-BBRMVZONSA-N 2 0 330.436 1.245 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)C1 ZINC001032731888 707735373 /nfs/dbraw/zinc/73/53/73/707735373.db2.gz RRHAEMDWJATYIX-PMPSAXMXSA-N 2 0 333.501 1.918 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001000194465 707830978 /nfs/dbraw/zinc/83/09/78/707830978.db2.gz VPWGWHFHCVMROO-QAPCUYQASA-N 2 0 330.476 1.812 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033424598 707841978 /nfs/dbraw/zinc/84/19/78/707841978.db2.gz DTWIIMWGFIBYHX-QGZVFWFLSA-N 2 0 347.507 1.227 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001033228895 707879455 /nfs/dbraw/zinc/87/94/55/707879455.db2.gz PSAQBIVLZOZEGQ-LXPRWKDFSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033475741 707965911 /nfs/dbraw/zinc/96/59/11/707965911.db2.gz QXPIIXWGHSCSMR-KRWDZBQOSA-N 2 0 333.480 1.148 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3Cc2ccc3cc[nH]c3c2)C1 ZINC001032781082 707967371 /nfs/dbraw/zinc/96/73/71/707967371.db2.gz IWSAWMWTVKBAKU-SQNIBIBYSA-N 2 0 338.455 1.905 20 0 EDADRP Cc1nccn1CC(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(F)c1 ZINC001032782597 707975653 /nfs/dbraw/zinc/97/56/53/707975653.db2.gz IALVBDXRBMJDHO-IRXDYDNUSA-N 2 0 328.391 1.816 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C3CC[NH+](C[C@@H]4CCOC4)CC3)CC2)C1 ZINC001000333952 707985909 /nfs/dbraw/zinc/98/59/09/707985909.db2.gz ULNFMTZBYWZSDZ-JKSUJKDBSA-N 2 0 335.492 1.335 20 0 EDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CN1CCc2sccc2C1 ZINC001032797747 708070865 /nfs/dbraw/zinc/07/08/65/708070865.db2.gz DRBTYDXXQZZLGH-KBMXLJTQSA-N 2 0 349.500 1.426 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032800813 708083594 /nfs/dbraw/zinc/08/35/94/708083594.db2.gz AYZDCHBPDGQTCQ-FHWLQOOXSA-N 2 0 349.519 1.964 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H]2CC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001033548663 708180251 /nfs/dbraw/zinc/18/02/51/708180251.db2.gz SLUMAAAKTJYHBR-FUHWJXTLSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033591334 708289105 /nfs/dbraw/zinc/28/91/05/708289105.db2.gz AWFGDOUTWKCKPH-DLBZAZTESA-N 2 0 335.492 1.432 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001033591995 708290009 /nfs/dbraw/zinc/29/00/09/708290009.db2.gz DONJLLGWOSXVFL-KRWDZBQOSA-N 2 0 343.471 1.824 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033595438 708299296 /nfs/dbraw/zinc/29/92/96/708299296.db2.gz TZTXPPYCVNNGDK-ZIAGYGMSSA-N 2 0 343.418 1.039 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033584087 708309336 /nfs/dbraw/zinc/30/93/36/708309336.db2.gz ZXYFZYVIUYGOKM-HIFRSBDPSA-N 2 0 329.435 1.906 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001033664307 708445890 /nfs/dbraw/zinc/44/58/90/708445890.db2.gz FQPJBDQVDDPLCX-KRWDZBQOSA-N 2 0 349.450 1.833 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001002128812 708645703 /nfs/dbraw/zinc/64/57/03/708645703.db2.gz ZQFFZIUYVJJVFW-ROUUACIJSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001005408288 708915962 /nfs/dbraw/zinc/91/59/62/708915962.db2.gz WNKDMBVTUFTIIJ-BPQIPLTHSA-N 2 0 337.508 1.819 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+]([C@@H](C)COC)CC2)CC[N@@H+]1C ZINC001005416646 708947665 /nfs/dbraw/zinc/94/76/65/708947665.db2.gz WRCNFBYTKVFELF-BHYGNILZSA-N 2 0 325.497 1.674 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033896590 709014250 /nfs/dbraw/zinc/01/42/50/709014250.db2.gz INITWESGDHGKSY-GOEBONIOSA-N 2 0 343.431 1.185 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2F)CC1 ZINC001002477194 709014438 /nfs/dbraw/zinc/01/44/38/709014438.db2.gz XVPGMQOSFRMXIC-KRWDZBQOSA-N 2 0 349.450 1.879 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001034013915 709228471 /nfs/dbraw/zinc/22/84/71/709228471.db2.gz RTDSMSCLUZNERO-OAHLLOKOSA-N 2 0 348.516 1.970 20 0 EDADRP Cc1cc(CN2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)ncn1 ZINC001002834969 709450759 /nfs/dbraw/zinc/45/07/59/709450759.db2.gz VFLZRDKKVSNBPY-GOSISDBHSA-N 2 0 343.475 1.207 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001002861192 709464830 /nfs/dbraw/zinc/46/48/30/709464830.db2.gz VNKVDHTZXBONOG-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319593 709769549 /nfs/dbraw/zinc/76/95/49/709769549.db2.gz IWJUPEBFLWNPSH-ISXWCOSWSA-N 2 0 335.492 1.476 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011179 709782971 /nfs/dbraw/zinc/78/29/71/709782971.db2.gz NBBBVTNKBKBKGN-DOTOQJQBSA-N 2 0 325.497 1.865 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034489757 710108003 /nfs/dbraw/zinc/10/80/03/710108003.db2.gz CYRWHVVKXSRFGV-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP Cc1oncc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490777 710109779 /nfs/dbraw/zinc/10/97/79/710109779.db2.gz NALBAWSRJNPIBQ-DOTOQJQBSA-N 2 0 334.464 1.796 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490739 710110051 /nfs/dbraw/zinc/11/00/51/710110051.db2.gz LZJMMQUWKICUGW-KRWDZBQOSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490823 710110186 /nfs/dbraw/zinc/11/01/86/710110186.db2.gz NZGXAKXOBMRFFV-HZPDHXFCSA-N 2 0 334.464 1.796 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001032836444 710117328 /nfs/dbraw/zinc/11/73/28/710117328.db2.gz JCFOPSSRZBVNDH-CEXWTWQISA-N 2 0 343.471 1.252 20 0 EDADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001003250617 710173468 /nfs/dbraw/zinc/17/34/68/710173468.db2.gz KRUWPPRFWWKCFZ-CYBMUJFWSA-N 2 0 343.431 1.005 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC001034607878 710264460 /nfs/dbraw/zinc/26/44/60/710264460.db2.gz UTSQPDBUKHUDCI-FPCVCCKLSA-N 2 0 331.464 1.649 20 0 EDADRP COCCC1(C(=O)N2CCC(C)([NH+]3CCC3)CC2)CC[NH+](C)CC1 ZINC000922171752 710337431 /nfs/dbraw/zinc/33/74/31/710337431.db2.gz SHSCWLHSFUTTSL-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842943 710402265 /nfs/dbraw/zinc/40/22/65/710402265.db2.gz CCGTVVHOGKDQTC-CGTJXYLNSA-N 2 0 331.460 1.252 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001003546886 710413649 /nfs/dbraw/zinc/41/36/49/710413649.db2.gz DXFNVWSNMNUUAG-UHFFFAOYSA-N 2 0 334.464 1.714 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628662 710458511 /nfs/dbraw/zinc/45/85/11/710458511.db2.gz SNWIOTMJFUJEQE-KBXCAEBGSA-N 2 0 343.487 1.814 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000922243654 710500376 /nfs/dbraw/zinc/50/03/76/710500376.db2.gz RHUDXCQHQCRVNQ-INIZCTEOSA-N 2 0 334.508 1.750 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](CCn3cccn3)CC2)CC1 ZINC001003742080 710524801 /nfs/dbraw/zinc/52/48/01/710524801.db2.gz VOSUTPWZINHPDN-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)cn1 ZINC001003776441 710545639 /nfs/dbraw/zinc/54/56/39/710545639.db2.gz RDIVSLQLEZAQNI-ZWKOTPCHSA-N 2 0 345.491 1.518 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034673464 710611405 /nfs/dbraw/zinc/61/14/05/710611405.db2.gz BDHIWKRKTFCQHN-BRWVUGGUSA-N 2 0 347.507 1.904 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034673921 710613740 /nfs/dbraw/zinc/61/37/40/710613740.db2.gz HCPJXRRGGKINFM-BZUAXINKSA-N 2 0 334.464 1.984 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034720312 710886497 /nfs/dbraw/zinc/88/64/97/710886497.db2.gz DEOWYCZPFSMGPR-QAQDUYKDSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC001034734881 710917837 /nfs/dbraw/zinc/91/78/37/710917837.db2.gz BECVJINWIUSWEN-ULQDDVLXSA-N 2 0 345.491 1.786 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034735858 710921891 /nfs/dbraw/zinc/92/18/91/710921891.db2.gz OBTDIEMJJMFXLU-KBRIMQKVSA-N 2 0 334.464 1.984 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737216 710949045 /nfs/dbraw/zinc/94/90/45/710949045.db2.gz HOYQJUMYYAHCPE-KLHDSHLOSA-N 2 0 348.495 1.013 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1 ZINC001034737515 710950116 /nfs/dbraw/zinc/95/01/16/710950116.db2.gz KYZMORDOJOVDJY-ANQUJSFKSA-N 2 0 348.495 1.013 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)Cc3ncc[nH]3)CC2)cs1 ZINC001034760633 710994151 /nfs/dbraw/zinc/99/41/51/710994151.db2.gz AHFLZIDVTQYIHP-JOCQHMNTSA-N 2 0 333.461 1.934 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034775729 711050061 /nfs/dbraw/zinc/05/00/61/711050061.db2.gz HLJNNZPBNWEORO-ANQUJSFKSA-N 2 0 349.479 1.707 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC001034795983 711115691 /nfs/dbraw/zinc/11/56/91/711115691.db2.gz APEZFRYTZLFBJE-UCNSEENLSA-N 2 0 348.495 1.503 20 0 EDADRP CCCC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740724 711274836 /nfs/dbraw/zinc/27/48/36/711274836.db2.gz HMBMBZVZSUQJQH-URSIVYNOSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001034941304 711445510 /nfs/dbraw/zinc/44/55/10/711445510.db2.gz MAFYGHUBDOAUPG-QZTJIDSGSA-N 2 0 343.475 1.207 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)CC[N@@H+]1C ZINC001034941843 711447080 /nfs/dbraw/zinc/44/70/80/711447080.db2.gz ZBQXLOXDGXEHJB-IXDOHACOSA-N 2 0 333.480 1.231 20 0 EDADRP CS(=O)(=O)C1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000922417143 711504165 /nfs/dbraw/zinc/50/41/65/711504165.db2.gz CKZDFHFIQKJWKA-UHFFFAOYSA-N 2 0 348.472 1.960 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001004150011 711564613 /nfs/dbraw/zinc/56/46/13/711564613.db2.gz QOBIWIWPLNCMSY-MRXNPFEDSA-N 2 0 331.460 1.598 20 0 EDADRP Cc1ccc(OCC[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004151364 711568987 /nfs/dbraw/zinc/56/89/87/711568987.db2.gz XSPZGKMPEHOUNF-KRWDZBQOSA-N 2 0 345.487 1.906 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001004596514 712037491 /nfs/dbraw/zinc/03/74/91/712037491.db2.gz MQZDMTJIMOYNPM-SJLPKXTDSA-N 2 0 337.508 1.678 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633040 712042183 /nfs/dbraw/zinc/04/21/83/712042183.db2.gz DELGPZKUROZJEW-FJIDUMEYSA-N 2 0 339.524 1.778 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)ccn1 ZINC000272261033 282109758 /nfs/dbraw/zinc/10/97/58/282109758.db2.gz APORXECWKMWWAQ-HOCLYGCPSA-N 2 0 332.448 1.188 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000262029603 282148366 /nfs/dbraw/zinc/14/83/66/282148366.db2.gz JQDLACWBSCWKAI-KRWDZBQOSA-N 2 0 339.505 1.934 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000360743590 282274228 /nfs/dbraw/zinc/27/42/28/282274228.db2.gz FNYFFYDXHSYMSH-WBVHZDCISA-N 2 0 340.537 1.551 20 0 EDADRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000178361539 529835268 /nfs/dbraw/zinc/83/52/68/529835268.db2.gz NXUANVJZJPEKLW-LJQANCHMSA-N 2 0 345.487 1.867 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000559463546 306255354 /nfs/dbraw/zinc/25/53/54/306255354.db2.gz WALQUCPWYZZBFV-OAHLLOKOSA-N 2 0 325.478 1.368 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000433457010 305109561 /nfs/dbraw/zinc/10/95/61/305109561.db2.gz OBTXMONPLAIKHA-ARFHVFGLSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000333235394 539626087 /nfs/dbraw/zinc/62/60/87/539626087.db2.gz CXNMBGBSUQBWTL-HOCLYGCPSA-N 2 0 331.526 1.558 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339068059 539699782 /nfs/dbraw/zinc/69/97/82/539699782.db2.gz JTZHLPRJKLUEAV-OALUTQOASA-N 2 0 344.503 1.694 20 0 EDADRP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000305834723 299160500 /nfs/dbraw/zinc/16/05/00/299160500.db2.gz WFXRQYGWCJODHK-RLFYNMQTSA-N 2 0 340.512 1.251 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000342980091 539769360 /nfs/dbraw/zinc/76/93/60/539769360.db2.gz WZJNMYUWVRWIOK-CYBMUJFWSA-N 2 0 340.512 1.258 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000342990689 539772412 /nfs/dbraw/zinc/77/24/12/539772412.db2.gz QRWIJUYGHGCETO-WBVHZDCISA-N 2 0 348.491 1.252 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C1(C(=O)N[C@@H](C)CC[NH+](C)C)CCC1 ZINC000354895082 295856974 /nfs/dbraw/zinc/85/69/74/295856974.db2.gz OXLUXXGEWRYGDG-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000159211744 540006310 /nfs/dbraw/zinc/00/63/10/540006310.db2.gz GZFRLHGHPRYFIN-MRXNPFEDSA-N 3 0 331.508 1.653 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000563115408 306318925 /nfs/dbraw/zinc/31/89/25/306318925.db2.gz STVIADPWVQUGCT-LMMKCTJWSA-N 2 0 331.460 1.821 20 0 EDADRP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)CCc2c[nH]cn2)c1 ZINC000276568897 540062205 /nfs/dbraw/zinc/06/22/05/540062205.db2.gz KCSLRKOVGGEICK-MRXNPFEDSA-N 2 0 341.415 1.431 20 0 EDADRP O=C(CCc1c[nH]cn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224207 540075718 /nfs/dbraw/zinc/07/57/18/540075718.db2.gz OMIWVHFJTGBXCD-AEFFLSMTSA-N 2 0 342.443 1.342 20 0 EDADRP CCCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357066161 283148598 /nfs/dbraw/zinc/14/85/98/283148598.db2.gz BTCPQVMPPCJENV-ZDUSSCGKSA-N 2 0 339.402 1.475 20 0 EDADRP CCCCOC[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000195174434 535315815 /nfs/dbraw/zinc/31/58/15/535315815.db2.gz NBKJFTAXDALQJC-ZIFCJYIRSA-N 2 0 342.524 1.985 20 0 EDADRP CN1CCC(CNC(=O)C2CC[NH+](C)CC2)([NH+]2CCCCC2)CC1 ZINC000074067598 138224328 /nfs/dbraw/zinc/22/43/28/138224328.db2.gz ZEFZNWDJVJUTRG-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(OCCOC)c3)C2)CC1 ZINC000093132765 138292122 /nfs/dbraw/zinc/29/21/22/138292122.db2.gz UKTGQRFEWFXXSF-IBGZPJMESA-N 2 0 347.503 1.924 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151177210 138449993 /nfs/dbraw/zinc/44/99/93/138449993.db2.gz OHFAQBSPVHZGCX-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000187722628 236284623 /nfs/dbraw/zinc/28/46/23/236284623.db2.gz FAAWASFELYICCQ-UHFFFAOYSA-N 2 0 332.448 1.239 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C[N@@H+]1C1CC1 ZINC000249128270 291137302 /nfs/dbraw/zinc/13/73/02/291137302.db2.gz RKOGLKVAEGZFGK-ZNMIVQPWSA-N 2 0 338.496 1.098 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000129461299 223058524 /nfs/dbraw/zinc/05/85/24/223058524.db2.gz JRKVIZBQXWDQIK-KRWDZBQOSA-N 2 0 348.491 1.720 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000565352549 306382000 /nfs/dbraw/zinc/38/20/00/306382000.db2.gz CAPOPVHDRPBEOA-ROUUACIJSA-N 2 0 346.475 1.410 20 0 EDADRP COc1cc(CN2CCN(C(=O)CCCC[NH3+])CC2)cc(OC)c1 ZINC000565420844 306383589 /nfs/dbraw/zinc/38/35/89/306383589.db2.gz NXPDUEFGEUTRNV-UHFFFAOYSA-N 2 0 335.448 1.477 20 0 EDADRP CSC1(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000414479032 304117789 /nfs/dbraw/zinc/11/77/89/304117789.db2.gz GTRIHMZAJRBKCX-UHFFFAOYSA-N 2 0 327.538 1.658 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414703062 304129997 /nfs/dbraw/zinc/12/99/97/304129997.db2.gz LMKZZBSMBUVHLH-ZDUSSCGKSA-N 2 0 330.432 1.076 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416795120 283933121 /nfs/dbraw/zinc/93/31/21/283933121.db2.gz RZJARQWXZCVYTG-AEFFLSMTSA-N 2 0 328.460 1.654 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414714977 304131576 /nfs/dbraw/zinc/13/15/76/304131576.db2.gz WWGVHONJAUVSJV-CABCVRRESA-N 2 0 346.475 1.581 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000414740191 304135334 /nfs/dbraw/zinc/13/53/34/304135334.db2.gz JOCXUBHCPXUYIV-HUUCEWRRSA-N 2 0 346.475 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H]([NH2+]C)C2)CC1 ZINC000414738878 304135353 /nfs/dbraw/zinc/13/53/53/304135353.db2.gz PFWMJVQFFHXJSC-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414743133 304135936 /nfs/dbraw/zinc/13/59/36/304135936.db2.gz VEOVOXCRVZSDRU-CVEARBPZSA-N 2 0 345.491 1.948 20 0 EDADRP COc1ccc2c(c1)CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414744204 304136119 /nfs/dbraw/zinc/13/61/19/304136119.db2.gz JKZXTFFGTNDVIO-OAHLLOKOSA-N 2 0 331.460 1.293 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC2CC[NH2+]CC2)CC1 ZINC000414744815 304136149 /nfs/dbraw/zinc/13/61/49/304136149.db2.gz XBWDHYHMLMSZIU-UHFFFAOYSA-N 2 0 331.464 1.702 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000566482794 306416348 /nfs/dbraw/zinc/41/63/48/306416348.db2.gz QHKLNAOFWFWZFM-FGTMMUONSA-N 2 0 331.460 1.316 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773529 304139443 /nfs/dbraw/zinc/13/94/43/304139443.db2.gz DNGHVYKPPNFLJG-CABCVRRESA-N 2 0 327.428 1.604 20 0 EDADRP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414777811 304139724 /nfs/dbraw/zinc/13/97/24/304139724.db2.gz HMAQDSQDNDJVMF-HNNXBMFYSA-N 2 0 334.464 1.297 20 0 EDADRP CN(C)c1ccccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414998919 304149745 /nfs/dbraw/zinc/14/97/45/304149745.db2.gz ZXHPMWDTHNTLFS-OAHLLOKOSA-N 2 0 330.398 1.678 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[NH2+]1 ZINC000566921848 306433299 /nfs/dbraw/zinc/43/32/99/306433299.db2.gz VEFUGWKEQNNTOU-NEWSRXKRSA-N 2 0 345.487 1.434 20 0 EDADRP C[C@H](CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000415056991 304155065 /nfs/dbraw/zinc/15/50/65/304155065.db2.gz STVYISDFORGEKB-CQSZACIVSA-N 2 0 332.448 1.465 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)CC1 ZINC000415076924 304157834 /nfs/dbraw/zinc/15/78/34/304157834.db2.gz GZKHOFQNHCANBN-QFBILLFUSA-N 2 0 344.503 1.975 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CC[NH2+]C1 ZINC000415092065 304158408 /nfs/dbraw/zinc/15/84/08/304158408.db2.gz RYWRCVQXHBYLBM-ZYSHUDEJSA-N 3 0 344.503 1.472 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092061 304158480 /nfs/dbraw/zinc/15/84/80/304158480.db2.gz RYWRCVQXHBYLBM-KFKAGJAMSA-N 3 0 344.503 1.472 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000415089260 304158597 /nfs/dbraw/zinc/15/85/97/304158597.db2.gz YRBZHFUVDYCEIX-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000415091365 304158770 /nfs/dbraw/zinc/15/87/70/304158770.db2.gz YZFYYOBLDYLIRD-WBVHZDCISA-N 2 0 333.476 1.867 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H]1CNCCO1)C1CC[NH+](C)CC1 ZINC000415099401 304159947 /nfs/dbraw/zinc/15/99/47/304159947.db2.gz YELHNVUNESLZJK-SFHVURJKSA-N 3 0 332.492 1.295 20 0 EDADRP CC(C)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1(CO)CCCC1 ZINC000415108372 304160922 /nfs/dbraw/zinc/16/09/22/304160922.db2.gz QATIXINQAMVIDH-RDJZCZTQSA-N 2 0 325.497 1.351 20 0 EDADRP C[C@H](Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000415116776 304161455 /nfs/dbraw/zinc/16/14/55/304161455.db2.gz IERIYWBGZOYXBN-UXLLHSPISA-N 2 0 330.476 1.794 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000415148174 304165184 /nfs/dbraw/zinc/16/51/84/304165184.db2.gz KNTHHKAEOQOWFT-AWEZNQCLSA-N 2 0 344.459 1.732 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000236966961 139036864 /nfs/dbraw/zinc/03/68/64/139036864.db2.gz PTYKIRIYHWGTPB-GOSISDBHSA-N 2 0 332.492 1.568 20 0 EDADRP C[NH2+]C1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000237114631 139041094 /nfs/dbraw/zinc/04/10/94/139041094.db2.gz JAKFYRVGIWSWIZ-GOSISDBHSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C1CC[NH2+]CC1 ZINC000237152993 139042303 /nfs/dbraw/zinc/04/23/03/139042303.db2.gz JJKOVCPVZMEGLM-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000237194913 139043572 /nfs/dbraw/zinc/04/35/72/139043572.db2.gz BQDVBIKQJJCQJC-OAHLLOKOSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000237213775 139044672 /nfs/dbraw/zinc/04/46/72/139044672.db2.gz CZQOGXRNFWKRBV-KRWDZBQOSA-N 2 0 344.503 1.554 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000237329862 139048198 /nfs/dbraw/zinc/04/81/98/139048198.db2.gz LOGKVUXCHAXURO-SOUVJXGZSA-N 2 0 343.443 1.907 20 0 EDADRP Cc1c(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)nnn1C1CC[NH2+]CC1 ZINC000237501564 139052627 /nfs/dbraw/zinc/05/26/27/139052627.db2.gz JUUVWSFLUMSFJL-ZDUSSCGKSA-N 2 0 336.484 1.217 20 0 EDADRP Cc1nccn1-c1ccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000237649922 139056932 /nfs/dbraw/zinc/05/69/32/139056932.db2.gz OFXCZPQTMIAMGT-OAHLLOKOSA-N 2 0 325.416 1.582 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000237761631 139059785 /nfs/dbraw/zinc/05/97/85/139059785.db2.gz RZLKJQOHPYOWRN-SFHVURJKSA-N 2 0 349.450 1.629 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)c2ccc(S(=O)(=O)Nc3ccncc3)cc2)C1 ZINC000237928055 139064093 /nfs/dbraw/zinc/06/40/93/139064093.db2.gz DZYXPCFFOZCFBR-CYBMUJFWSA-N 2 0 346.412 1.056 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000238055802 139067860 /nfs/dbraw/zinc/06/78/60/139067860.db2.gz AHFHMLWXQHACHF-SJORKVTESA-N 2 0 333.501 1.862 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000238136536 139069549 /nfs/dbraw/zinc/06/95/49/139069549.db2.gz NLXONWGRMHRWDG-UHFFFAOYSA-N 2 0 344.503 1.705 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000415261683 304180651 /nfs/dbraw/zinc/18/06/51/304180651.db2.gz ZLLQWSSAEFRHAJ-AWEZNQCLSA-N 2 0 344.459 1.287 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000246188682 139098344 /nfs/dbraw/zinc/09/83/44/139098344.db2.gz IEDHEHCYHAZBGZ-RTBURBONSA-N 2 0 345.487 1.614 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000415307635 304190634 /nfs/dbraw/zinc/19/06/34/304190634.db2.gz XYNXSZITAQSBKP-KRWDZBQOSA-N 2 0 344.459 1.084 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000568153387 306473450 /nfs/dbraw/zinc/47/34/50/306473450.db2.gz CWOOPFGFKPEFIC-HNNXBMFYSA-N 2 0 331.460 1.419 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH2+]C)cc1 ZINC000415405139 304214822 /nfs/dbraw/zinc/21/48/22/304214822.db2.gz BSXOXBSBXSMAHS-CQSZACIVSA-N 2 0 334.464 1.439 20 0 EDADRP C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249347183 139191431 /nfs/dbraw/zinc/19/14/31/139191431.db2.gz OSLWDLRXZZOHPR-CGTJXYLNSA-N 2 0 333.476 1.641 20 0 EDADRP COCC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261539836 139208665 /nfs/dbraw/zinc/20/86/65/139208665.db2.gz BSCRNXXPNDWCFO-KRWDZBQOSA-N 2 0 331.460 1.393 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000261634269 139213004 /nfs/dbraw/zinc/21/30/04/139213004.db2.gz DJAGGUQNKRJCDC-IRXDYDNUSA-N 2 0 337.489 1.925 20 0 EDADRP Cc1cccc(C)c1NC(=O)CN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261644309 139213981 /nfs/dbraw/zinc/21/39/81/139213981.db2.gz AMRQVTYRIBOLKO-GOSISDBHSA-N 2 0 344.503 1.859 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670807 139216059 /nfs/dbraw/zinc/21/60/59/139216059.db2.gz BUUQEXIKGFMCFQ-WBVHZDCISA-N 2 0 331.460 1.664 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000261724506 139220633 /nfs/dbraw/zinc/22/06/33/139220633.db2.gz FJYCDMKKHIVRFH-PKOBYXMFSA-N 2 0 345.487 1.874 20 0 EDADRP CN1CCC(CNC(=O)CC[C@@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000261836885 139230238 /nfs/dbraw/zinc/23/02/38/139230238.db2.gz NMYMQQNDBFFJCE-QGZVFWFLSA-N 2 0 336.524 1.443 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261914624 139236638 /nfs/dbraw/zinc/23/66/38/139236638.db2.gz XZIPPSVCPIWPNE-GOSISDBHSA-N 2 0 349.475 1.387 20 0 EDADRP [NH3+]C1(C(=O)N2CCN(Cc3ccc(Cl)cc3)CC2)CCOCC1 ZINC000261941071 139238770 /nfs/dbraw/zinc/23/87/70/139238770.db2.gz XNEVUZOJPYZNRZ-UHFFFAOYSA-N 2 0 337.851 1.492 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@H]1CCC[C@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261958579 139240081 /nfs/dbraw/zinc/24/00/81/139240081.db2.gz JMUOYAWOEJYRPG-VZJVUDMVSA-N 2 0 340.265 1.867 20 0 EDADRP CC(C)C[C@](C)(C[NH3+])NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261990869 139242285 /nfs/dbraw/zinc/24/22/85/139242285.db2.gz DVIQCTNSKGLDPY-MRXNPFEDSA-N 2 0 327.494 1.790 20 0 EDADRP COc1ccc(OC)c(C[N@H+](CCC(=O)N2CC[NH2+]CC2)C2CC2)c1 ZINC000262011327 139243671 /nfs/dbraw/zinc/24/36/71/139243671.db2.gz FLZMCGIPYOPCKC-UHFFFAOYSA-N 2 0 347.459 1.490 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262112814 139252016 /nfs/dbraw/zinc/25/20/16/139252016.db2.gz FLJXZDBHZMKZLH-XHHISWJOSA-N 2 0 347.507 1.206 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)[C@H]1CCC[NH2+]1 ZINC000262175834 139257525 /nfs/dbraw/zinc/25/75/25/139257525.db2.gz IGEJZTNPQRNCMF-SJLPKXTDSA-N 2 0 343.471 1.702 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262184998 139258238 /nfs/dbraw/zinc/25/82/38/139258238.db2.gz BWAMPGSAXVGQOL-MRXNPFEDSA-N 2 0 339.867 1.642 20 0 EDADRP C[C@@H](CN1CCOCC1)N(Cc1noc(CN)n1)Cc1ccccc1 ZINC000262228625 139261854 /nfs/dbraw/zinc/26/18/54/139261854.db2.gz NQAYUWJZUOWYSY-HNNXBMFYSA-N 2 0 345.447 1.251 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NC1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000416188492 251056156 /nfs/dbraw/zinc/05/61/56/251056156.db2.gz ISYVUUSZONDGOX-KRWDZBQOSA-N 2 0 333.476 1.642 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112269994 220278374 /nfs/dbraw/zinc/27/83/74/220278374.db2.gz NLLWGEHIIYGPQJ-UHFFFAOYSA-N 2 0 333.480 1.151 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416788994 251110107 /nfs/dbraw/zinc/11/01/07/251110107.db2.gz CPNUQMPCGVQFLP-MSOLQXFVSA-N 2 0 342.487 1.902 20 0 EDADRP [NH3+]CCN(CCO)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000416884003 251117790 /nfs/dbraw/zinc/11/77/90/251117790.db2.gz CMXGRJVMLUGZFS-UHFFFAOYSA-N 2 0 334.464 1.135 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000417001262 251124914 /nfs/dbraw/zinc/12/49/14/251124914.db2.gz ZUSWTXYJPVCVMX-INIZCTEOSA-N 2 0 348.491 1.911 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000417086312 251141468 /nfs/dbraw/zinc/14/14/68/251141468.db2.gz FAHKJDRVKUVOHM-LSDHHAIUSA-N 2 0 340.418 1.933 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@@H]1C ZINC000417024772 251138271 /nfs/dbraw/zinc/13/82/71/251138271.db2.gz MPIXDIISIMHBOF-HZPDHXFCSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000262353645 139272431 /nfs/dbraw/zinc/27/24/31/139272431.db2.gz IWROJZJFWCSESK-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417321956 251159994 /nfs/dbraw/zinc/15/99/94/251159994.db2.gz DRPPQGBUQRJXFC-BFYDXBDKSA-N 2 0 326.485 1.175 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCC[C@@H](C)[NH3+])CCCC2)CC1 ZINC000417535981 251185446 /nfs/dbraw/zinc/18/54/46/251185446.db2.gz CYGOKNFMKZCISD-CQSZACIVSA-N 2 0 326.485 1.447 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417622565 251208764 /nfs/dbraw/zinc/20/87/64/251208764.db2.gz HKVFBAFNECJZHN-ZIAGYGMSSA-N 2 0 328.526 1.773 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417696463 251233184 /nfs/dbraw/zinc/23/31/84/251233184.db2.gz GTWDHAMFCDCWPS-PMPSAXMXSA-N 2 0 326.485 1.399 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@@H](C)C1 ZINC000417667648 251220972 /nfs/dbraw/zinc/22/09/72/251220972.db2.gz HBUXNCOIKUUDSV-HZMVEIRTSA-N 2 0 338.496 1.127 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417670638 251223441 /nfs/dbraw/zinc/22/34/41/251223441.db2.gz OPHZTEBXJORKKH-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCSC1 ZINC000417826495 251286254 /nfs/dbraw/zinc/28/62/54/251286254.db2.gz MPLPTNXKLKNLBV-IIAWOOMASA-N 2 0 328.526 1.488 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000417835397 251290715 /nfs/dbraw/zinc/29/07/15/251290715.db2.gz VZNGRJUJLVNDEG-JQHSSLGASA-N 2 0 330.476 1.900 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000417846734 251295275 /nfs/dbraw/zinc/29/52/75/251295275.db2.gz QCKQLOMVEBOASW-INIZCTEOSA-N 2 0 338.496 1.306 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](CC[NH3+])C(F)F)CC1 ZINC000417802828 251277424 /nfs/dbraw/zinc/27/74/24/251277424.db2.gz FCMWIKZEUBNPPM-ZDUSSCGKSA-N 2 0 336.427 1.158 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(C)C1C[NH2+]C1 ZINC000417886904 251313979 /nfs/dbraw/zinc/31/39/79/251313979.db2.gz HSSRZBGZXLTQBH-HWWDLCQESA-N 2 0 330.476 1.756 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000418080524 251320725 /nfs/dbraw/zinc/32/07/25/251320725.db2.gz RZZOJNHKCRVMFB-CQSZACIVSA-N 2 0 336.402 1.656 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccccc1C(=O)N(C)C)N1CC[NH+](C)CC1 ZINC000417853483 251298494 /nfs/dbraw/zinc/29/84/94/251298494.db2.gz GHGOFEFJJJQTCT-LJQANCHMSA-N 2 0 346.519 1.750 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000418427577 251368308 /nfs/dbraw/zinc/36/83/08/251368308.db2.gz OHKGNAKJBXIPES-CVEARBPZSA-N 2 0 328.501 1.502 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)C1CC1 ZINC000418151500 251345927 /nfs/dbraw/zinc/34/59/27/251345927.db2.gz STIRIPHXUGYQDI-QZTJIDSGSA-N 2 0 330.476 1.934 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418198766 251353954 /nfs/dbraw/zinc/35/39/54/251353954.db2.gz WASNIHAKZRADND-ZBFHGGJFSA-N 2 0 349.479 1.339 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418723367 251399222 /nfs/dbraw/zinc/39/92/22/251399222.db2.gz NVTKNKNAKPEDEK-QAETUUGQSA-N 2 0 338.496 1.399 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000418641516 251382662 /nfs/dbraw/zinc/38/26/62/251382662.db2.gz NNLWYBOFMVKFRA-SFHVURJKSA-N 2 0 346.475 1.907 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418679706 251384030 /nfs/dbraw/zinc/38/40/30/251384030.db2.gz FJCUNGIMRCCOSP-UOVPBQLFSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000262654102 139293351 /nfs/dbraw/zinc/29/33/51/139293351.db2.gz SQUZSYYTHLGXMX-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000419795552 251545864 /nfs/dbraw/zinc/54/58/64/251545864.db2.gz KQIHTJWJHYJLJT-UHFFFAOYSA-N 2 0 346.475 1.141 20 0 EDADRP [NH3+]CCC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000262649668 139292941 /nfs/dbraw/zinc/29/29/41/139292941.db2.gz QFWDSUXPPGZEGY-UHFFFAOYSA-N 2 0 339.443 1.691 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)ccc1C[NH+](C)C ZINC000415588000 304233806 /nfs/dbraw/zinc/23/38/06/304233806.db2.gz ZLZKRIBXRKRZLZ-ZFWWWQNUSA-N 2 0 332.448 1.191 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000415590263 304234262 /nfs/dbraw/zinc/23/42/62/304234262.db2.gz ZXUFYRFPECCMJI-USXIJHARSA-N 2 0 344.459 1.273 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H](CC)[C@H]2CCCC[NH2+]2)CC1 ZINC000422858781 252002239 /nfs/dbraw/zinc/00/22/39/252002239.db2.gz JFYPIFLESJAOHI-JKSUJKDBSA-N 2 0 331.526 1.701 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)Cc2cccc(C)c2)CC[NH2+]CC1 ZINC000423065036 252032677 /nfs/dbraw/zinc/03/26/77/252032677.db2.gz ATWXAOWVFSECCK-WMZOPIPTSA-N 2 0 348.487 1.809 20 0 EDADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423181267 252043775 /nfs/dbraw/zinc/04/37/75/252043775.db2.gz JMMUHAALNSLAID-HNNXBMFYSA-N 2 0 335.448 1.184 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423345288 252047636 /nfs/dbraw/zinc/04/76/36/252047636.db2.gz YOOPSQQJMPJHJQ-GJZGRUSLSA-N 2 0 336.484 1.115 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000423773562 252068720 /nfs/dbraw/zinc/06/87/20/252068720.db2.gz JPNQHOYYKCOEEP-XKGZKEIXSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423775144 252069148 /nfs/dbraw/zinc/06/91/48/252069148.db2.gz LYTGCHCWFDHHRD-INIZCTEOSA-N 2 0 331.460 1.488 20 0 EDADRP [NH3+]C1CCC([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000422907717 252019097 /nfs/dbraw/zinc/01/90/97/252019097.db2.gz CFNABSIUYMDSJM-UHFFFAOYSA-N 2 0 344.503 1.975 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422911776 252020068 /nfs/dbraw/zinc/02/00/68/252020068.db2.gz LLQGTJDIVSKAPV-MSOLQXFVSA-N 2 0 332.492 1.728 20 0 EDADRP Cn1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424142672 252141232 /nfs/dbraw/zinc/14/12/32/252141232.db2.gz YPIVGPJRBDPLON-OAHLLOKOSA-N 2 0 345.491 1.491 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424150806 252145793 /nfs/dbraw/zinc/14/57/93/252145793.db2.gz ZMKRNHFJOPTAHO-HUUCEWRRSA-N 2 0 331.464 1.435 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000424149232 252146152 /nfs/dbraw/zinc/14/61/52/252146152.db2.gz VYTRIKJNIOINKB-QLFBSQMISA-N 2 0 333.480 1.442 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424206294 252161121 /nfs/dbraw/zinc/16/11/21/252161121.db2.gz WSVRFPDAUHWZBM-ZBFHGGJFSA-N 2 0 346.479 1.053 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424219143 252166950 /nfs/dbraw/zinc/16/69/50/252166950.db2.gz ZPJDWDFDONLTIT-RCCFBDPRSA-N 2 0 329.444 1.098 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccsc1 ZINC000424132452 252135380 /nfs/dbraw/zinc/13/53/80/252135380.db2.gz KPUYQMQVXGMWKL-ZFWWWQNUSA-N 2 0 348.476 1.297 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@H]1C ZINC000424137935 252137875 /nfs/dbraw/zinc/13/78/75/252137875.db2.gz COLMTKYJBJOWPM-QLFBSQMISA-N 2 0 334.468 1.147 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000424277982 252187211 /nfs/dbraw/zinc/18/72/11/252187211.db2.gz HNCOAJUKZJCKRY-UYJHFMRCSA-N 2 0 332.444 1.685 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@@H]2C)c1 ZINC000424464069 252237746 /nfs/dbraw/zinc/23/77/46/252237746.db2.gz IMVJPNJMEMGNNA-BBRMVZONSA-N 2 0 330.432 1.087 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415615210 304239374 /nfs/dbraw/zinc/23/93/74/304239374.db2.gz OIDLBRMBZLYLSL-CSMYWGQOSA-N 2 0 344.459 1.288 20 0 EDADRP O=C(C[N@H+]1CCC[C@H]1CCO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000426208950 252324682 /nfs/dbraw/zinc/32/46/82/252324682.db2.gz FVLDKYHCUFSIEM-IBGZPJMESA-N 2 0 345.487 1.745 20 0 EDADRP COC1(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[NH2+]CC1 ZINC000166179617 532971365 /nfs/dbraw/zinc/97/13/65/532971365.db2.gz YJPRRHPMVUFZIM-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000347042417 285058713 /nfs/dbraw/zinc/05/87/13/285058713.db2.gz KQZKTZWOQXPQIM-ULQDDVLXSA-N 2 0 340.512 1.374 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000263293937 139333720 /nfs/dbraw/zinc/33/37/20/139333720.db2.gz XIPPRMSCPCKNCO-AWEZNQCLSA-N 2 0 338.477 1.596 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000112412426 220323376 /nfs/dbraw/zinc/32/33/76/220323376.db2.gz AXBUYYAUIKWJJD-GOSISDBHSA-N 2 0 341.540 1.654 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000415679036 304254981 /nfs/dbraw/zinc/25/49/81/304254981.db2.gz OVHGFMLSEQLZNZ-DZGCQCFKSA-N 2 0 332.448 1.252 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000112917949 220420108 /nfs/dbraw/zinc/42/01/08/220420108.db2.gz JDQPCXUOERLKIL-SFHVURJKSA-N 2 0 332.492 1.433 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1C[NH+](C)C ZINC000415754669 304265911 /nfs/dbraw/zinc/26/59/11/304265911.db2.gz ZSJPHRFVWNSAOO-GDBMZVCRSA-N 2 0 344.459 1.063 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000486947041 255020574 /nfs/dbraw/zinc/02/05/74/255020574.db2.gz QXJOEBLTSGVGPI-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000487277500 255028465 /nfs/dbraw/zinc/02/84/65/255028465.db2.gz GGEWPRXOCWCAGU-RZLSGREXSA-N 2 0 339.480 1.974 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418786466 285246169 /nfs/dbraw/zinc/24/61/69/285246169.db2.gz IZASOMZWIZPUKP-IXDOHACOSA-N 3 0 339.528 1.171 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CC(OCc3ccccc3)C2)C1 ZINC000493979448 255229355 /nfs/dbraw/zinc/22/93/55/255229355.db2.gz ZXFXRVQUXSRQDQ-VIQWUECVSA-N 2 0 345.487 1.911 20 0 EDADRP CC[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000495206584 255272932 /nfs/dbraw/zinc/27/29/32/255272932.db2.gz WKFKOYXKOKLSPU-HXUWFJFHSA-N 2 0 345.487 1.745 20 0 EDADRP CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC([NH3+])C1 ZINC000415790365 304271943 /nfs/dbraw/zinc/27/19/43/304271943.db2.gz OYMYXOPDJUUYJM-PXCJXSSVSA-N 2 0 330.432 1.122 20 0 EDADRP C[C@@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496051898 255347020 /nfs/dbraw/zinc/34/70/20/255347020.db2.gz WEWZBOWXVNRWRD-CRAIPNDOSA-N 2 0 347.459 1.754 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000496444772 255392805 /nfs/dbraw/zinc/39/28/05/255392805.db2.gz UKXVLYQJMBJMBT-GJZGRUSLSA-N 2 0 340.512 1.467 20 0 EDADRP CC(C)(C)OC(=O)NC[C@](C)(O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000496260596 255372115 /nfs/dbraw/zinc/37/21/15/255372115.db2.gz DAKDPAZDCWGTLY-GUYCJALGSA-N 2 0 338.452 1.865 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1ccccn1 ZINC000449826751 285280223 /nfs/dbraw/zinc/28/02/23/285280223.db2.gz SJCMNSFOUKNJEL-IRXDYDNUSA-N 2 0 348.491 1.723 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000263991618 139374448 /nfs/dbraw/zinc/37/44/48/139374448.db2.gz VWIKJDFSZFHXDT-UHFFFAOYSA-N 2 0 348.491 1.576 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COCc1cccs1 ZINC000119290579 221286611 /nfs/dbraw/zinc/28/66/11/221286611.db2.gz VHDOBRGGYQAQFV-INIZCTEOSA-N 2 0 341.521 1.195 20 0 EDADRP OCC[C@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@@H]2CCO)COC1 ZINC000119390835 221310635 /nfs/dbraw/zinc/31/06/35/221310635.db2.gz BEUMWTBYZCHUIB-QZTJIDSGSA-N 2 0 340.508 1.477 20 0 EDADRP COC[C@@]1(CNC(=O)NCCC[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000416879932 285323441 /nfs/dbraw/zinc/32/34/41/285323441.db2.gz XMTDSFUUQGAYRV-KRWDZBQOSA-N 2 0 326.485 1.176 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000155274752 224389832 /nfs/dbraw/zinc/38/98/32/224389832.db2.gz UCBJECGLEUQTOL-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272606 139392233 /nfs/dbraw/zinc/39/22/33/139392233.db2.gz WWSKVTHPNXSHDT-NVXWUHKLSA-N 2 0 344.459 1.417 20 0 EDADRP COc1ccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000264287794 139393813 /nfs/dbraw/zinc/39/38/13/139393813.db2.gz LQKQUBKWDPGPEY-OAHLLOKOSA-N 2 0 349.475 1.658 20 0 EDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333561425 533371808 /nfs/dbraw/zinc/37/18/08/533371808.db2.gz KZXIYRIETPDTGF-IMJJTQAJSA-N 2 0 331.464 1.709 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000571524398 306567678 /nfs/dbraw/zinc/56/76/78/306567678.db2.gz ZWLYARPZZFKDQW-YCPHGPKFSA-N 2 0 340.512 1.245 20 0 EDADRP COC(=O)[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+](C)C1 ZINC000416242718 304300212 /nfs/dbraw/zinc/30/02/12/304300212.db2.gz ADASPESLZWHWSN-SJORKVTESA-N 2 0 347.459 1.243 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)C2CCCCC2)CC[NH2+]CC1 ZINC000571632884 306570401 /nfs/dbraw/zinc/57/04/01/306570401.db2.gz HGVRPTGBNRWWKO-GDBMZVCRSA-N 2 0 326.481 1.839 20 0 EDADRP Cc1nnc([C@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000332153042 141131653 /nfs/dbraw/zinc/13/16/53/141131653.db2.gz NKWREXQTPLHBIJ-KRWDZBQOSA-N 2 0 334.512 1.709 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000332163947 141133506 /nfs/dbraw/zinc/13/35/06/141133506.db2.gz UCTZWGNDZBARBD-SJWGOKEGSA-N 2 0 334.439 1.779 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000332366142 141169771 /nfs/dbraw/zinc/16/97/71/141169771.db2.gz YLHXTLDCARUAMU-QAPCUYQASA-N 2 0 330.476 1.948 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000333226147 141284010 /nfs/dbraw/zinc/28/40/10/141284010.db2.gz XKAYGYJABVYLKZ-HZPDHXFCSA-N 2 0 345.491 1.961 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333344698 141302963 /nfs/dbraw/zinc/30/29/63/141302963.db2.gz QIGFRKMHJCGWSN-CJNGLKHVSA-N 2 0 330.432 1.869 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H]1CN1CCOCC1)C1CCCCC1 ZINC000333486598 141325101 /nfs/dbraw/zinc/32/51/01/141325101.db2.gz CTQWEIPPRHLLNL-IAGOWNOFSA-N 2 0 338.496 1.400 20 0 EDADRP Cc1cc(=O)n2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)sc2n1 ZINC000333610016 141344410 /nfs/dbraw/zinc/34/44/10/141344410.db2.gz RVAUAAYFRRLOJM-GFCCVEGCSA-N 2 0 333.461 1.423 20 0 EDADRP CN1CCO[C@@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@H]21 ZINC000333723265 141366236 /nfs/dbraw/zinc/36/62/36/141366236.db2.gz VAHAJIPXPMPKRW-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000339314759 142011788 /nfs/dbraw/zinc/01/17/88/142011788.db2.gz DGEUTWJWYFNTTO-WMZOPIPTSA-N 2 0 348.491 1.699 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000339611399 142093401 /nfs/dbraw/zinc/09/34/01/142093401.db2.gz SRLQXGFVKQWORF-QGZVFWFLSA-N 2 0 348.491 1.252 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC000339612911 142093476 /nfs/dbraw/zinc/09/34/76/142093476.db2.gz GTPDMMCSWZCQEN-JKSUJKDBSA-N 2 0 340.512 1.210 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000344649538 142994270 /nfs/dbraw/zinc/99/42/70/142994270.db2.gz YZAHODPFVGSZKJ-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC[C@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+](CC)CC ZINC000345286910 143073495 /nfs/dbraw/zinc/07/34/95/143073495.db2.gz FIILFAPJYOMVHC-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000345714697 143124776 /nfs/dbraw/zinc/12/47/76/143124776.db2.gz BNKBQNMDOCZNRB-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H](C)C1 ZINC000346187541 143176823 /nfs/dbraw/zinc/17/68/23/143176823.db2.gz DXPAPNVJMZAGHQ-DAYGRLMNSA-N 2 0 330.476 1.946 20 0 EDADRP COCC[N@@H+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000346203989 143178620 /nfs/dbraw/zinc/17/86/20/143178620.db2.gz JWPOIIJQAWXGAJ-HNNXBMFYSA-N 2 0 329.448 1.728 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)C[NH+](C)C)CC2)c1 ZINC000346221298 143180306 /nfs/dbraw/zinc/18/03/06/143180306.db2.gz LHBQBXLYNJQEFD-QGZVFWFLSA-N 2 0 332.492 1.573 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346282986 143186603 /nfs/dbraw/zinc/18/66/03/143186603.db2.gz LFFIDJGYMXJDEB-HOTGVXAUSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000346571769 143217602 /nfs/dbraw/zinc/21/76/02/143217602.db2.gz WURTYUFAZIQZMR-GDBMZVCRSA-N 2 0 325.497 1.770 20 0 EDADRP CCOc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000346661420 143228086 /nfs/dbraw/zinc/22/80/86/143228086.db2.gz BADQATVQCAWRDO-NVXWUHKLSA-N 2 0 346.475 1.561 20 0 EDADRP CCc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000346667884 143228939 /nfs/dbraw/zinc/22/89/39/143228939.db2.gz FIWRRZGGCXLOBN-DZGCQCFKSA-N 2 0 336.505 1.786 20 0 EDADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000347040355 143275224 /nfs/dbraw/zinc/27/52/24/143275224.db2.gz KKCNFDDQQUISTQ-INIZCTEOSA-N 2 0 333.480 1.164 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000347099247 143282475 /nfs/dbraw/zinc/28/24/75/143282475.db2.gz KPUJERGLIOEYAP-SFHVURJKSA-N 2 0 347.507 1.529 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347111539 143283882 /nfs/dbraw/zinc/28/38/82/143283882.db2.gz QUPKHPHLHBQKSP-KRWDZBQOSA-N 2 0 330.476 1.396 20 0 EDADRP C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147261 143287650 /nfs/dbraw/zinc/28/76/50/143287650.db2.gz MOIVXMUTRSTJEK-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000347426291 143319584 /nfs/dbraw/zinc/31/95/84/143319584.db2.gz KZXSQDXPTHKCLP-OWCLPIDISA-N 2 0 343.537 1.429 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(-n2ccnn2)c1 ZINC000348117439 143402569 /nfs/dbraw/zinc/40/25/69/143402569.db2.gz XICOKNMOEGPHBC-OAHLLOKOSA-N 2 0 329.448 1.622 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCCC[N@H+](C)C2CC2)cc1 ZINC000416505672 304326261 /nfs/dbraw/zinc/32/62/61/304326261.db2.gz DXAUELDFMIKGQM-UHFFFAOYSA-N 2 0 339.505 1.901 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000572943719 306604364 /nfs/dbraw/zinc/60/43/64/306604364.db2.gz RFPCDWYEAGPLGR-MRXNPFEDSA-N 2 0 338.496 1.320 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000369756465 155163547 /nfs/dbraw/zinc/16/35/47/155163547.db2.gz GEDOQSRDSTYKIE-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)CC[N@@H+]1C ZINC000369851096 155202457 /nfs/dbraw/zinc/20/24/57/155202457.db2.gz IOSMZUZDWJZKQI-OWCLPIDISA-N 2 0 343.479 1.413 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000416843011 304351123 /nfs/dbraw/zinc/35/11/23/304351123.db2.gz OCVCQYBYOBLESH-SFHVURJKSA-N 2 0 332.492 1.800 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@@H]2[NH3+])[C@H](C)C1 ZINC000340114959 286060304 /nfs/dbraw/zinc/06/03/04/286060304.db2.gz VAYPBKPISNMFTM-QZWWFDLISA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827103 149184499 /nfs/dbraw/zinc/18/44/99/149184499.db2.gz MAPNQXJRRPJUDL-ULQDDVLXSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456286 292206168 /nfs/dbraw/zinc/20/61/68/292206168.db2.gz LJZIFOMMIQZSRU-ICSRJNTNSA-N 2 0 331.504 1.988 20 0 EDADRP CC(C)[C@H](CNC(=O)NC(C)(C)CCC[NH3+])[NH+]1CCN(C)CC1 ZINC000416965778 304356712 /nfs/dbraw/zinc/35/67/12/304356712.db2.gz XQWOEBMSOTXFTG-HNNXBMFYSA-N 2 0 327.517 1.075 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000416965798 304356749 /nfs/dbraw/zinc/35/67/49/304356749.db2.gz XTSFJIVXGVACOH-OIISXLGYSA-N 2 0 340.512 1.563 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416973845 304358707 /nfs/dbraw/zinc/35/87/07/304358707.db2.gz VYDRJFCZCDEDJO-WMLDXEAASA-N 2 0 334.464 1.424 20 0 EDADRP CCOC(=O)C1(C)CCC([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000354327041 149760017 /nfs/dbraw/zinc/76/00/17/149760017.db2.gz FRTODDKPJPOWDS-KLHKWILBSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416973648 304358465 /nfs/dbraw/zinc/35/84/65/304358465.db2.gz JLSHJHVVDGXMQY-PBHICJAKSA-N 2 0 334.464 1.424 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)c1 ZINC000416986248 304361790 /nfs/dbraw/zinc/36/17/90/304361790.db2.gz RDSSDOSGWWUHOT-GOSISDBHSA-N 2 0 348.491 1.788 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=CCOCC1 ZINC000355458809 150277676 /nfs/dbraw/zinc/27/76/76/150277676.db2.gz QKIFKSIRUMUOTH-UHFFFAOYSA-N 2 0 330.432 1.057 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000417036482 304363976 /nfs/dbraw/zinc/36/39/76/304363976.db2.gz UNGDFYSUJONODN-UHFFFAOYSA-N 2 0 339.528 1.093 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417049529 304366774 /nfs/dbraw/zinc/36/67/74/304366774.db2.gz GWRXBUPGRSAJDY-KRWDZBQOSA-N 2 0 347.507 1.414 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)[C@@H](C)C[NH3+])CC2)c1 ZINC000417048638 304366514 /nfs/dbraw/zinc/36/65/14/304366514.db2.gz FZIBCPXTDIAPBC-KRWDZBQOSA-N 2 0 347.507 1.496 20 0 EDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358046305 151246744 /nfs/dbraw/zinc/24/67/44/151246744.db2.gz YXWICDGUAILXNZ-LPHOPBHVSA-N 2 0 344.503 1.552 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(CC)nn3C2)[C@@H](C)C1 ZINC000358139132 151285516 /nfs/dbraw/zinc/28/55/16/151285516.db2.gz WEFZTZBBIDERPE-ULQDDVLXSA-N 2 0 349.523 1.882 20 0 EDADRP COc1ccc(Br)cc1CNC[C@@]1(O)CC[N@H+](C)C1 ZINC000358147366 151287810 /nfs/dbraw/zinc/28/78/10/151287810.db2.gz XRGFEZXLHZAYFF-AWEZNQCLSA-N 2 0 329.238 1.614 20 0 EDADRP CC(C)(CNC(=O)NCC[N@@H+]1CCCOCC1)C[NH+]1CCCC1 ZINC000358226888 151311921 /nfs/dbraw/zinc/31/19/21/151311921.db2.gz DDUYTKGOFJECIY-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP CCc1ccc([C@@H](CN2CCOCC2)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358249117 151317142 /nfs/dbraw/zinc/31/71/42/151317142.db2.gz KAWMWWVQTINRSG-UXHICEINSA-N 2 0 347.503 1.279 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CCO1 ZINC000358266406 151321934 /nfs/dbraw/zinc/32/19/34/151321934.db2.gz PGVUHRRXTVJHCL-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP CC[C@]1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC000360468794 152056611 /nfs/dbraw/zinc/05/66/11/152056611.db2.gz XJUJTTMXBLOWTC-IBGZPJMESA-N 2 0 345.443 1.924 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360755217 152188243 /nfs/dbraw/zinc/18/82/43/152188243.db2.gz OVWBGMAOEQTQII-INIZCTEOSA-N 2 0 330.542 1.653 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000361052504 152290456 /nfs/dbraw/zinc/29/04/56/152290456.db2.gz NMKWRIFBTMYPCM-QGZVFWFLSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000361253419 152346895 /nfs/dbraw/zinc/34/68/95/152346895.db2.gz SEKDAPASMWQPSH-HIFRSBDPSA-N 2 0 342.447 1.549 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000417148592 304378116 /nfs/dbraw/zinc/37/81/16/304378116.db2.gz HCWMRWURJCQGSQ-QGZVFWFLSA-N 2 0 345.491 1.331 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(CC[NH+]2CCCOCC2)C1 ZINC000361379590 152378046 /nfs/dbraw/zinc/37/80/46/152378046.db2.gz VPONUQOSZYEXOD-IBGZPJMESA-N 2 0 332.492 1.558 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000417165024 304379779 /nfs/dbraw/zinc/37/97/79/304379779.db2.gz VKBMXECXNGQBNE-QGZVFWFLSA-N 2 0 334.439 1.923 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000417199758 304383683 /nfs/dbraw/zinc/38/36/83/304383683.db2.gz VYQAJZFNEPLHHG-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000364799182 153338510 /nfs/dbraw/zinc/33/85/10/153338510.db2.gz SMWZGAPHMZGLRR-HHXXYDBFSA-N 2 0 331.460 1.478 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)[C@@H]1SC ZINC000459414977 286387639 /nfs/dbraw/zinc/38/76/39/286387639.db2.gz WJNPBXHFAXXPKQ-TWMKSMIVSA-N 2 0 329.554 1.759 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000367074318 154000574 /nfs/dbraw/zinc/00/05/74/154000574.db2.gz OKOIYVOLYSQYQR-UHFFFAOYSA-N 2 0 346.475 1.617 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000367112337 154011885 /nfs/dbraw/zinc/01/18/85/154011885.db2.gz GLIZBZHUFNSHIJ-BDXSIMOUSA-N 2 0 337.508 1.819 20 0 EDADRP CC[C@@H](CSC)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367615575 154200485 /nfs/dbraw/zinc/20/04/85/154200485.db2.gz BGQZXPGELWHSPP-UONOGXRCSA-N 2 0 328.526 1.596 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000367773041 154264050 /nfs/dbraw/zinc/26/40/50/154264050.db2.gz SEWSYISYEMEDSE-MSOLQXFVSA-N 2 0 338.540 1.497 20 0 EDADRP Cc1nccc(N2CCN(C(=O)[C@@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)n1 ZINC000367956045 154342383 /nfs/dbraw/zinc/34/23/83/154342383.db2.gz LWJGAAJGGCXIDJ-GOSISDBHSA-N 2 0 349.454 1.646 20 0 EDADRP C[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417340350 304392642 /nfs/dbraw/zinc/39/26/42/304392642.db2.gz MEJCGGUGZRKAQU-KXBFYZLASA-N 2 0 342.487 1.969 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](NC(=O)C3CCC3)C2)CC1 ZINC000369516169 155067049 /nfs/dbraw/zinc/06/70/49/155067049.db2.gz CITINOFFEKSQJY-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H]1C ZINC000417480419 304399254 /nfs/dbraw/zinc/39/92/54/304399254.db2.gz MLXMUDSMMWUQPR-HZPDHXFCSA-N 2 0 348.491 1.909 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417478539 304398989 /nfs/dbraw/zinc/39/89/89/304398989.db2.gz IPTRNSHRJAJKSY-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368576078 292335421 /nfs/dbraw/zinc/33/54/21/292335421.db2.gz LJWPZEZRBXDSFR-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH2+]CCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417502153 304400631 /nfs/dbraw/zinc/40/06/31/304400631.db2.gz DATWAKFNCVYRLT-UHFFFAOYSA-N 2 0 334.464 1.052 20 0 EDADRP CC1(C)CN(CCNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000371884586 156150087 /nfs/dbraw/zinc/15/00/87/156150087.db2.gz SKWQXMVYWLZKFV-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000372438557 156389510 /nfs/dbraw/zinc/38/95/10/156389510.db2.gz QIVWNDVUZCQKFK-GUDVDZBRSA-N 2 0 343.471 1.630 20 0 EDADRP CCN1CCO[C@@H](C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000372452249 156397123 /nfs/dbraw/zinc/39/71/23/156397123.db2.gz XPTHZBJFJCAXQQ-GOSISDBHSA-N 2 0 346.475 1.477 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000246499518 292348985 /nfs/dbraw/zinc/34/89/85/292348985.db2.gz WOHOEZKELCGKBX-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000364254699 292351565 /nfs/dbraw/zinc/35/15/65/292351565.db2.gz GLWKEAURXZTYNA-QGZVFWFLSA-N 2 0 342.528 1.717 20 0 EDADRP COC(=O)c1ccc(CN2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)cc1 ZINC000374327083 157246154 /nfs/dbraw/zinc/24/61/54/157246154.db2.gz VBNPMJCVQRRSOG-QFBILLFUSA-N 2 0 345.487 1.931 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585105 157336599 /nfs/dbraw/zinc/33/65/99/157336599.db2.gz NUPVTVUSXINVKM-HKUYNNGSSA-N 2 0 345.487 1.769 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200730 158106703 /nfs/dbraw/zinc/10/67/03/158106703.db2.gz MGJZYAJBWLAPKT-ZWKOTPCHSA-N 2 0 330.476 1.315 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378203417 158108013 /nfs/dbraw/zinc/10/80/13/158108013.db2.gz QURZIYYAGPLXNO-IAGOWNOFSA-N 2 0 338.540 1.816 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000378265010 158123479 /nfs/dbraw/zinc/12/34/79/158123479.db2.gz SVYRNYHJHQVMKX-GOEBONIOSA-N 2 0 334.464 1.529 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)no1 ZINC000378476456 158185373 /nfs/dbraw/zinc/18/53/73/158185373.db2.gz WFKRLFOPZZVZKE-HRCADAONSA-N 2 0 333.480 1.813 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000576038646 306676053 /nfs/dbraw/zinc/67/60/53/306676053.db2.gz GYACLNXMBYMUJO-ARFHVFGLSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417964036 304439399 /nfs/dbraw/zinc/43/93/99/304439399.db2.gz FLVAWVVBSYDRGO-GOSISDBHSA-N 2 0 331.464 1.678 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000352208394 162050678 /nfs/dbraw/zinc/05/06/78/162050678.db2.gz NDQKZXHWDFLWNI-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000168643327 287051762 /nfs/dbraw/zinc/05/17/62/287051762.db2.gz ZIUZEGIVZNXITH-OAHLLOKOSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000418172775 304459218 /nfs/dbraw/zinc/45/92/18/304459218.db2.gz RVAXYHJAVKVNNU-MRXNPFEDSA-N 2 0 346.475 1.792 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418175854 304459948 /nfs/dbraw/zinc/45/99/48/304459948.db2.gz WCQWUMLPUNUPDK-KGLIPLIRSA-N 2 0 334.464 1.695 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073717212 287263706 /nfs/dbraw/zinc/26/37/06/287263706.db2.gz PGXPOCODVHIHEP-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP COC[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)C1CC1 ZINC000120163977 287358731 /nfs/dbraw/zinc/35/87/31/287358731.db2.gz CJTLBOHMICPCPU-INIZCTEOSA-N 2 0 326.485 1.079 20 0 EDADRP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000451263388 287370150 /nfs/dbraw/zinc/37/01/50/287370150.db2.gz YXDSCLGZHMEHFC-FZDBZEDMSA-N 2 0 328.497 1.189 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCC[NH2+]C3)ccc2oc1=O ZINC000166616463 226163881 /nfs/dbraw/zinc/16/38/81/226163881.db2.gz CJWHGQDKWPUUCM-LBPRGKRZSA-N 2 0 332.404 1.094 20 0 EDADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000169207603 226235023 /nfs/dbraw/zinc/23/50/23/226235023.db2.gz XWUFTKFHPBBYSM-QZTJIDSGSA-N 2 0 346.475 1.126 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000418358370 304485434 /nfs/dbraw/zinc/48/54/34/304485434.db2.gz ZDDZOITZPCKKQK-JKSUJKDBSA-N 2 0 333.480 1.543 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H]2CCN(C3CC3)C2=O)CC1 ZINC000122152446 222026080 /nfs/dbraw/zinc/02/60/80/222026080.db2.gz NSZSODGLRBFNOJ-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237280343 273008755 /nfs/dbraw/zinc/00/87/55/273008755.db2.gz BBELCSAUWNAOGM-QGZVFWFLSA-N 2 0 332.492 1.561 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000274320875 268124708 /nfs/dbraw/zinc/12/47/08/268124708.db2.gz APEGAJGVFUJUEO-RBUKOAKNSA-N 2 0 347.503 1.846 20 0 EDADRP CCOC(=O)[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274817308 268213469 /nfs/dbraw/zinc/21/34/69/268213469.db2.gz JASQXGGCSIFCGY-HHXXYDBFSA-N 2 0 334.460 1.801 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)C[C@@H](c2ccccc2)O1 ZINC000275317095 268321383 /nfs/dbraw/zinc/32/13/83/268321383.db2.gz SHRWLYMJESTILN-WMZOPIPTSA-N 2 0 331.460 1.613 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275709846 268371074 /nfs/dbraw/zinc/37/10/74/268371074.db2.gz UNSXZULUHPNUQD-UHFFFAOYSA-N 2 0 336.480 1.881 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000273548036 273043473 /nfs/dbraw/zinc/04/34/73/273043473.db2.gz KURZAUGVMVSYHZ-UHFFFAOYSA-N 2 0 331.464 1.001 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC[N@@H+]1C ZINC000279425248 273295797 /nfs/dbraw/zinc/29/57/97/273295797.db2.gz LWPMUPLZMYGRCQ-JSGCOSHPSA-N 2 0 332.448 1.516 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)c1ccc(F)cc1 ZINC000279774176 273326377 /nfs/dbraw/zinc/32/63/77/273326377.db2.gz BOZDWSBHTJNFDP-QGZVFWFLSA-N 2 0 334.439 1.990 20 0 EDADRP C(=C/CN1CC[C@H]([NH+]2CCCC2)C1)\CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170741314 275389119 /nfs/dbraw/zinc/38/91/19/275389119.db2.gz LRIKHEHDRJZTQP-FWDLARJDSA-N 2 0 332.536 1.883 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000190977033 276084038 /nfs/dbraw/zinc/08/40/38/276084038.db2.gz HJJMPBYMDUNOJW-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359927263 276232105 /nfs/dbraw/zinc/23/21/05/276232105.db2.gz XDPWFDYEAHPJFS-DLBZAZTESA-N 2 0 342.528 1.499 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCn2cncn2)CC1 ZINC000271854123 276388029 /nfs/dbraw/zinc/38/80/29/276388029.db2.gz XJOLJQGNXJYVCA-HNNXBMFYSA-N 2 0 346.454 1.910 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333129696 277027104 /nfs/dbraw/zinc/02/71/04/277027104.db2.gz BPAUAYWALXWVFL-BBWFWOEESA-N 2 0 338.496 1.148 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864301 277105050 /nfs/dbraw/zinc/10/50/50/277105050.db2.gz GNDOTXDJJRESPE-PKOBYXMFSA-N 2 0 348.466 1.183 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)NCCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000417015554 277105112 /nfs/dbraw/zinc/10/51/12/277105112.db2.gz HCHPHOWFBNEYFI-SFHVURJKSA-N 2 0 347.507 1.403 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000364850238 277611808 /nfs/dbraw/zinc/61/18/08/277611808.db2.gz KCAAMCFLNBLXJU-RDGPPVDQSA-N 2 0 348.535 1.534 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC[N@@H+]1C ZINC000339608782 278083638 /nfs/dbraw/zinc/08/36/38/278083638.db2.gz QMAVYDOGMRFQEY-HYVNUMGLSA-N 2 0 346.475 1.004 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417021858 278171571 /nfs/dbraw/zinc/17/15/71/278171571.db2.gz NTPKXIIHQMPFDJ-AEFFLSMTSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023943 278182043 /nfs/dbraw/zinc/18/20/43/278182043.db2.gz PSYVLJRVTKDJKQ-SJLPKXTDSA-N 2 0 347.507 1.354 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000155126630 278260789 /nfs/dbraw/zinc/26/07/89/278260789.db2.gz YZTXNXGBESKEDK-HOTGVXAUSA-N 2 0 328.464 1.554 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418624339 278545842 /nfs/dbraw/zinc/54/58/42/278545842.db2.gz YYFCDOLPLKWKHU-JKSUJKDBSA-N 2 0 340.512 1.157 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355707847 278942254 /nfs/dbraw/zinc/94/22/54/278942254.db2.gz GMKBIGHAYCQXHA-AEFFLSMTSA-N 2 0 338.540 1.780 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420129785 279034176 /nfs/dbraw/zinc/03/41/76/279034176.db2.gz QBVSZDHOAPTQET-HOCLYGCPSA-N 2 0 346.475 1.123 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864581 279055239 /nfs/dbraw/zinc/05/52/39/279055239.db2.gz PVKCHBXPSFBDRH-RDTXWAMCSA-N 2 0 333.480 1.404 20 0 EDADRP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000357580167 279225547 /nfs/dbraw/zinc/22/55/47/279225547.db2.gz TZJGSTBPWROJSX-MJGOQNOKSA-N 2 0 347.503 1.716 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211403 288115552 /nfs/dbraw/zinc/11/55/52/288115552.db2.gz PUQDIUHDTWWXQR-QAPCUYQASA-N 2 0 327.472 1.907 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000175980973 279264151 /nfs/dbraw/zinc/26/41/51/279264151.db2.gz PGIJRMKURDFMQX-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000361690396 279302362 /nfs/dbraw/zinc/30/23/62/279302362.db2.gz GYFMDPAUYNZWIP-DOTOQJQBSA-N 2 0 347.507 1.389 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)[nH]c(=O)c1 ZINC000271935184 279303036 /nfs/dbraw/zinc/30/30/36/279303036.db2.gz NQHMUSWORWDPNE-MRXNPFEDSA-N 2 0 334.464 1.584 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)cn1 ZINC000360157540 279303099 /nfs/dbraw/zinc/30/30/99/279303099.db2.gz VEPHRHMPWDMXKD-OAHLLOKOSA-N 2 0 334.464 1.578 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333373666 279827289 /nfs/dbraw/zinc/82/72/89/279827289.db2.gz MVQPFSLGKISTFK-UHFFFAOYSA-N 2 0 344.459 1.035 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000236726968 279839566 /nfs/dbraw/zinc/83/95/66/279839566.db2.gz WHDXKAATMHWLJJ-JKSUJKDBSA-N 2 0 327.538 1.954 20 0 EDADRP C[C@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050884 280098623 /nfs/dbraw/zinc/09/86/23/280098623.db2.gz SUGHBCALOFIHNI-LPHOPBHVSA-N 2 0 345.487 1.810 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000262670124 280988893 /nfs/dbraw/zinc/98/88/93/280988893.db2.gz RFKYCUDTZFHGMO-IBGZPJMESA-N 2 0 344.503 1.670 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000287952679 288365164 /nfs/dbraw/zinc/36/51/64/288365164.db2.gz HAAQOBYEDWQHRJ-JQHSSLGASA-N 2 0 348.491 1.119 20 0 EDADRP CC[C@H](CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC ZINC000290649046 288930368 /nfs/dbraw/zinc/93/03/68/288930368.db2.gz GJDIBIJUDRJHFO-QGZVFWFLSA-N 2 0 349.479 1.318 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000291598255 289119487 /nfs/dbraw/zinc/11/94/87/289119487.db2.gz GVUGTIACXOAWDS-QUCCMNQESA-N 2 0 342.487 1.998 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733005 289164448 /nfs/dbraw/zinc/16/44/48/289164448.db2.gz JRDGQKPGZIQKRY-VQTJNVASSA-N 2 0 332.488 1.759 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000333136240 290275031 /nfs/dbraw/zinc/27/50/31/290275031.db2.gz CIZUMIFDZNCTLO-HUUCEWRRSA-N 2 0 331.464 1.610 20 0 EDADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770621 295202374 /nfs/dbraw/zinc/20/23/74/295202374.db2.gz DQMIXTXJAUIBDX-BZSNNMDCSA-N 2 0 325.456 1.425 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000375053663 295224570 /nfs/dbraw/zinc/22/45/70/295224570.db2.gz HORCLMYXYVNINI-BZSNNMDCSA-N 2 0 343.471 1.647 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418545136 304510803 /nfs/dbraw/zinc/51/08/03/304510803.db2.gz QAVYYBSYXTWZCI-SFHVURJKSA-N 3 0 341.544 1.291 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418602062 304517207 /nfs/dbraw/zinc/51/72/07/304517207.db2.gz VAFIJUSCUKVLGH-PLYYQAHHSA-N 2 0 348.466 1.816 20 0 EDADRP COCC1(CNC(=O)N(CC[NH+](C)C)CC(C)C)CC[NH2+]CC1 ZINC000418636452 304523002 /nfs/dbraw/zinc/52/30/02/304523002.db2.gz HEYKCKMLHVSTHL-UHFFFAOYSA-N 2 0 328.501 1.232 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000418933461 304552502 /nfs/dbraw/zinc/55/25/02/304552502.db2.gz IZOQYHCDOIFXFS-JKSUJKDBSA-N 2 0 340.512 1.058 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419228075 304579056 /nfs/dbraw/zinc/57/90/56/304579056.db2.gz GGMZYOFDWNWGFU-QGZVFWFLSA-N 2 0 346.475 1.183 20 0 EDADRP COCC[C@@]1(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[NH2+]C1 ZINC000430838060 305065588 /nfs/dbraw/zinc/06/55/88/305065588.db2.gz NRXIAIDAYRJSES-KRWDZBQOSA-N 2 0 325.497 1.773 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000420409152 304756291 /nfs/dbraw/zinc/75/62/91/304756291.db2.gz XYPNJDUAGSWYNC-UHFFFAOYSA-N 2 0 336.823 1.718 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000295006979 303162081 /nfs/dbraw/zinc/16/20/81/303162081.db2.gz IOEYQNSUCAXQCQ-PKOBYXMFSA-N 2 0 344.503 1.623 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000414871510 447336142 /nfs/dbraw/zinc/33/61/42/447336142.db2.gz OBFNWUNSFZAVIR-OAHLLOKOSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCCCCC1 ZINC000304304842 303752456 /nfs/dbraw/zinc/75/24/56/303752456.db2.gz IXJOBAMADKEKJX-SJORKVTESA-N 2 0 325.497 1.460 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(SC)CCOCC2)CC[NH2+]CC1 ZINC000422920120 304880346 /nfs/dbraw/zinc/88/03/46/304880346.db2.gz LOCKMJMZFCWBSO-AWEZNQCLSA-N 2 0 344.521 1.810 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000422940028 304880665 /nfs/dbraw/zinc/88/06/65/304880665.db2.gz MXBVZFLCJSSFQT-XQQFMLRXSA-N 2 0 343.265 1.776 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000423233252 304890184 /nfs/dbraw/zinc/89/01/84/304890184.db2.gz DFPCSJCARSBTEO-KRWDZBQOSA-N 2 0 346.475 1.046 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423273058 304890801 /nfs/dbraw/zinc/89/08/01/304890801.db2.gz KGGQDSPGHISZFW-GUTXKFCHSA-N 2 0 325.478 1.729 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423313791 304892282 /nfs/dbraw/zinc/89/22/82/304892282.db2.gz UWCQNXAVOCCADG-SFHVURJKSA-N 2 0 341.459 1.799 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000423379434 304894075 /nfs/dbraw/zinc/89/40/75/304894075.db2.gz LVMOHAWYFWXPEQ-CQSZACIVSA-N 2 0 344.463 1.486 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000423425955 304895655 /nfs/dbraw/zinc/89/56/55/304895655.db2.gz DTCOMWPHFFNNED-HNAYVOBHSA-N 2 0 345.487 1.648 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000423747079 304908057 /nfs/dbraw/zinc/90/80/57/304908057.db2.gz OWKBPRLAWPXVPC-HNNXBMFYSA-N 2 0 327.419 1.992 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000424085204 304928095 /nfs/dbraw/zinc/92/80/95/304928095.db2.gz ZFCDXMNPVFVQDW-CZUORRHYSA-N 2 0 341.459 1.837 20 0 EDADRP O=C(CN1CCC([NH2+]CC2CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000430544939 305056002 /nfs/dbraw/zinc/05/60/02/305056002.db2.gz PIOOWTHCWDBXGA-UHFFFAOYSA-N 2 0 334.508 1.193 20 0 EDADRP [NH3+]C[C@H]1CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000430569570 305056369 /nfs/dbraw/zinc/05/63/69/305056369.db2.gz LUDFBUBYXHONMW-QGZVFWFLSA-N 2 0 348.516 1.597 20 0 EDADRP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430633088 305060313 /nfs/dbraw/zinc/06/03/13/305060313.db2.gz BIIBJPUTPIFQCQ-HZPDHXFCSA-N 2 0 346.475 1.215 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCCOc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430637341 305060513 /nfs/dbraw/zinc/06/05/13/305060513.db2.gz CLNIQDUOZMKUPV-KRWDZBQOSA-N 2 0 331.460 1.599 20 0 EDADRP [NH3+]CC1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000430646422 305061237 /nfs/dbraw/zinc/06/12/37/305061237.db2.gz PHMHLBWZMQDAGE-UHFFFAOYSA-N 2 0 344.459 1.813 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000430704680 305062815 /nfs/dbraw/zinc/06/28/15/305062815.db2.gz IYECOPWPWZFWPA-SJORKVTESA-N 2 0 331.460 1.905 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000430771832 305064492 /nfs/dbraw/zinc/06/44/92/305064492.db2.gz GSPHNCKUVHZONT-HNNXBMFYSA-N 2 0 348.495 1.315 20 0 EDADRP O=C(COC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000430829368 305065464 /nfs/dbraw/zinc/06/54/64/305065464.db2.gz FTBAEGFXOBXZDT-UHFFFAOYSA-N 2 0 337.851 1.409 20 0 EDADRP CC(C)(C[NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000431007166 305072546 /nfs/dbraw/zinc/07/25/46/305072546.db2.gz UGZNXXBIHWKSCD-UHFFFAOYSA-N 2 0 332.492 1.690 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431015217 305072965 /nfs/dbraw/zinc/07/29/65/305072965.db2.gz SNALIUHFXQNBAL-ROUUACIJSA-N 2 0 338.540 1.818 20 0 EDADRP COCC[C@@]1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[NH2+]C1 ZINC000431047804 305073693 /nfs/dbraw/zinc/07/36/93/305073693.db2.gz CYKAUMUDVRHWJA-IBGZPJMESA-N 2 0 337.508 1.773 20 0 EDADRP CCN(CC)C(=O)[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433114187 305100645 /nfs/dbraw/zinc/10/06/45/305100645.db2.gz GHRDYTULGDOYRQ-INIZCTEOSA-N 2 0 338.496 1.049 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CCCO1 ZINC000433280430 305104763 /nfs/dbraw/zinc/10/47/63/305104763.db2.gz BXUPXGWKGMKDQO-IKGGRYGDSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(n3ccc(C)n3)CC2)CC1 ZINC000434496850 305123735 /nfs/dbraw/zinc/12/37/35/305123735.db2.gz AQDGSSLQIAXKTH-UHFFFAOYSA-N 2 0 333.480 1.429 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000434887901 305132445 /nfs/dbraw/zinc/13/24/45/305132445.db2.gz QQYCFAPVEMLLOS-ZDUSSCGKSA-N 2 0 329.510 1.087 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000435387060 305139615 /nfs/dbraw/zinc/13/96/15/305139615.db2.gz WRURUCVDOZXHQE-GOEBONIOSA-N 2 0 349.475 1.769 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000440171646 305204339 /nfs/dbraw/zinc/20/43/39/305204339.db2.gz BCPMZNARNHECRV-KRWDZBQOSA-N 2 0 333.480 1.725 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000440979876 305215352 /nfs/dbraw/zinc/21/53/52/305215352.db2.gz MHTPURSQVZAJCJ-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000443676075 305240830 /nfs/dbraw/zinc/24/08/30/305240830.db2.gz UQPNFLNFDMFDTG-HNNXBMFYSA-N 2 0 342.528 1.715 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000443673573 305240876 /nfs/dbraw/zinc/24/08/76/305240876.db2.gz ICZGFIOVQBVYLT-YESZJQIVSA-N 2 0 325.497 1.866 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000446366076 305263913 /nfs/dbraw/zinc/26/39/13/305263913.db2.gz FQASRCLPJPXTBZ-DOTOQJQBSA-N 2 0 335.423 1.477 20 0 EDADRP COCC1(C)CC[NH+](CC(O)C[NH+]2CCC(C)(COC)CC2)CC1 ZINC000447314564 305277912 /nfs/dbraw/zinc/27/79/12/305277912.db2.gz NEOYKGFYKRNWCZ-UHFFFAOYSA-N 2 0 342.524 1.844 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000448253064 305294538 /nfs/dbraw/zinc/29/45/38/305294538.db2.gz VIJHWMYNYHZRJA-HZPDHXFCSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)COC3CCC([NH3+])CC3)cn2)CC1 ZINC000449073116 305305563 /nfs/dbraw/zinc/30/55/63/305305563.db2.gz HOARSMJREKTNLJ-UHFFFAOYSA-N 2 0 347.463 1.058 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCCCC1 ZINC000449161445 305308437 /nfs/dbraw/zinc/30/84/37/305308437.db2.gz FPBLQANABXQITA-CQSZACIVSA-N 2 0 334.468 1.024 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@@H]1CC ZINC000449347818 305312068 /nfs/dbraw/zinc/31/20/68/305312068.db2.gz JGDIEXMWIGQSDE-ULQDDVLXSA-N 2 0 325.497 1.853 20 0 EDADRP COC(=O)CCC[NH+]1CCC(NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000449778263 305318776 /nfs/dbraw/zinc/31/87/76/305318776.db2.gz BEKPQAWLOCEWTG-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@]12C[N@H+](CC(=O)NC3CC[NH+](C4CC4)CC3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451371719 305342035 /nfs/dbraw/zinc/34/20/35/305342035.db2.gz PUJQRPNNVUSNBP-SLGAXEFGSA-N 2 0 329.488 1.873 20 0 EDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000451509904 305350302 /nfs/dbraw/zinc/35/03/02/305350302.db2.gz XFVOJVVVVICSLD-SJORKVTESA-N 2 0 337.508 1.911 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000471656060 305538093 /nfs/dbraw/zinc/53/80/93/305538093.db2.gz AFATZPWCEGDIHF-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@@H]1C[N@H+](CCCNCc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897296 447353627 /nfs/dbraw/zinc/35/36/27/447353627.db2.gz STHDISSCUMZZAT-OAHLLOKOSA-N 2 0 336.480 1.732 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000414905413 447352445 /nfs/dbraw/zinc/35/24/45/447352445.db2.gz OIGHWWFVQPASBE-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000514825474 305706597 /nfs/dbraw/zinc/70/65/97/305706597.db2.gz WZKQZQNOBASGME-QFBILLFUSA-N 2 0 349.519 1.516 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000515004426 305712198 /nfs/dbraw/zinc/71/21/98/305712198.db2.gz RPJBAWKDPUMVDT-SQNIBIBYSA-N 2 0 330.476 1.940 20 0 EDADRP c1cc2c(cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)OCCO2 ZINC000518959774 305765328 /nfs/dbraw/zinc/76/53/28/305765328.db2.gz JSTRDSBKKMFTGJ-YESZJQIVSA-N 2 0 332.444 1.747 20 0 EDADRP COCc1cccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000524903710 305820995 /nfs/dbraw/zinc/82/09/95/305820995.db2.gz ANSCYFRCOYSFBW-UHFFFAOYSA-N 2 0 336.480 1.468 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532202252 305976542 /nfs/dbraw/zinc/97/65/42/305976542.db2.gz PONXHPIQZUQCTN-MRXNPFEDSA-N 2 0 332.496 1.061 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913506 306041274 /nfs/dbraw/zinc/04/12/74/306041274.db2.gz RKBOVBQZIQNHEE-GUDVDZBRSA-N 2 0 342.487 1.846 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000541893932 306049105 /nfs/dbraw/zinc/04/91/05/306049105.db2.gz LVOIKLBKRPQALW-OAHLLOKOSA-N 2 0 338.496 1.171 20 0 EDADRP C[C@@H](O)[C@@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@@H]([C@H](C)O)C3)COC2)C1 ZINC000542041662 306050740 /nfs/dbraw/zinc/05/07/40/306050740.db2.gz MWXNDKZMYGUTMT-XMTFNYHQSA-N 2 0 340.508 1.189 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000544587834 306077051 /nfs/dbraw/zinc/07/70/51/306077051.db2.gz KMQORRXVKZTILL-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000547727431 306110217 /nfs/dbraw/zinc/11/02/17/306110217.db2.gz RODZBAUFVWUUQW-OAHLLOKOSA-N 2 0 334.464 1.212 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557135835 306224938 /nfs/dbraw/zinc/22/49/38/306224938.db2.gz SVUXCCGKBKTFGC-MKXGPGLRSA-N 2 0 342.487 1.948 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414948493 447369273 /nfs/dbraw/zinc/36/92/73/447369273.db2.gz XKBXCYURQQUHAA-BLLLJJGKSA-N 2 0 330.432 1.073 20 0 EDADRP Cc1ccc(O)c(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000378143197 447403955 /nfs/dbraw/zinc/40/39/55/447403955.db2.gz OHKUNUXVYSZMET-INIZCTEOSA-N 2 0 331.460 1.941 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244587 447420657 /nfs/dbraw/zinc/42/06/57/447420657.db2.gz MGWJIZQSHJBVFM-JCYILVPMSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000458637592 447435030 /nfs/dbraw/zinc/43/50/30/447435030.db2.gz GAFSOEYPZSWNRZ-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP CNC(=O)NC(=O)CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844204 441138018 /nfs/dbraw/zinc/13/80/18/441138018.db2.gz GPEZUWAOUMYTPC-UHFFFAOYSA-N 2 0 346.475 1.676 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105193210 441241759 /nfs/dbraw/zinc/24/17/59/441241759.db2.gz ZHGANNDGEVROTD-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105233265 441243831 /nfs/dbraw/zinc/24/38/31/441243831.db2.gz YRIGKQKPYGYNPH-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCCC1 ZINC000073243107 441303964 /nfs/dbraw/zinc/30/39/64/441303964.db2.gz LAMMMRVJVCHUPX-QGZVFWFLSA-N 2 0 339.524 1.946 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000025702642 441353140 /nfs/dbraw/zinc/35/31/40/441353140.db2.gz ADTGMGKNANFWQR-AWEZNQCLSA-N 2 0 334.464 1.852 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000085362916 441433877 /nfs/dbraw/zinc/43/38/77/441433877.db2.gz SWUFXJCSYURAIM-HOTGVXAUSA-N 2 0 341.544 1.145 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000074853620 441472347 /nfs/dbraw/zinc/47/23/47/441472347.db2.gz XSDVMSXLAPEZEZ-IRXDYDNUSA-N 2 0 334.508 1.844 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111511185 441536049 /nfs/dbraw/zinc/53/60/49/441536049.db2.gz MTBWVNQMYBVTEL-QGZVFWFLSA-N 2 0 331.464 1.788 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+](C)CC)[C@@H](C)C1 ZINC000115811773 441781188 /nfs/dbraw/zinc/78/11/88/441781188.db2.gz MWHJXNVVIJWZKX-HOTGVXAUSA-N 2 0 328.501 1.374 20 0 EDADRP CCn1nc(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000092615660 441813831 /nfs/dbraw/zinc/81/38/31/441813831.db2.gz DGNUKWCWHSXLIU-UHFFFAOYSA-N 2 0 335.496 1.410 20 0 EDADRP C[C@H](Cc1ccsc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077785601 441860032 /nfs/dbraw/zinc/86/00/32/441860032.db2.gz RVUMRRAOQOIJJM-CQSZACIVSA-N 2 0 326.510 1.814 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C(C)(C)C ZINC000116552238 441829249 /nfs/dbraw/zinc/82/92/49/441829249.db2.gz FMYUICVYFJNFGW-OAHLLOKOSA-N 2 0 342.528 1.763 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)c1ccccc1 ZINC000077751939 441847426 /nfs/dbraw/zinc/84/74/26/441847426.db2.gz KFIXDKJOOHZFHP-MRXNPFEDSA-N 2 0 334.464 1.045 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000174522236 441933377 /nfs/dbraw/zinc/93/33/77/441933377.db2.gz IBKGQOLKVSUWHI-MRXNPFEDSA-N 2 0 345.491 1.247 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N(C1CC1)C1CCCC1 ZINC000174726817 441961077 /nfs/dbraw/zinc/96/10/77/441961077.db2.gz TVVVIVNEWLWSTC-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000175249388 442025572 /nfs/dbraw/zinc/02/55/72/442025572.db2.gz RKFSMBOPYUMHRN-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000161859352 442038113 /nfs/dbraw/zinc/03/81/13/442038113.db2.gz BQYQKIBWQCENIW-MHJFOBGBSA-N 2 0 345.487 1.790 20 0 EDADRP C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000120832203 442140144 /nfs/dbraw/zinc/14/01/44/442140144.db2.gz BHHJAHSYDUFEGM-CQSZACIVSA-N 2 0 336.446 1.486 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000126836112 442147697 /nfs/dbraw/zinc/14/76/97/442147697.db2.gz GBESLMTVENKIEG-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175634156 442096540 /nfs/dbraw/zinc/09/65/40/442096540.db2.gz QHBPSKBYNMAKCS-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000126355588 442102660 /nfs/dbraw/zinc/10/26/60/442102660.db2.gz SAUQWZJKEJTBIM-QAPCUYQASA-N 2 0 342.528 1.499 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1CC[NH+](C)CC1 ZINC000176088209 442173688 /nfs/dbraw/zinc/17/36/88/442173688.db2.gz REYYSBLJKUVRHV-UHFFFAOYSA-N 2 0 346.475 1.453 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000176085915 442173926 /nfs/dbraw/zinc/17/39/26/442173926.db2.gz VXKVOWCKIRDQNJ-CQSZACIVSA-N 2 0 346.475 1.594 20 0 EDADRP CN(C(=O)C[C@@H]1CCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166554289 442216973 /nfs/dbraw/zinc/21/69/73/442216973.db2.gz LZZOPOPSMYSTRY-KRWDZBQOSA-N 2 0 330.476 1.689 20 0 EDADRP O=C(C[NH2+]CC1CC1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000166932021 442219147 /nfs/dbraw/zinc/21/91/47/442219147.db2.gz XLDBPWKEDJMFND-UHFFFAOYSA-N 2 0 331.460 1.829 20 0 EDADRP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CC2 ZINC000168907603 442225408 /nfs/dbraw/zinc/22/54/08/442225408.db2.gz IADCDQQEQWMRAM-FQEVSTJZSA-N 2 0 347.503 1.662 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)C2CC2)[C@@H](C)C1 ZINC000152692914 442238235 /nfs/dbraw/zinc/23/82/35/442238235.db2.gz NMTMERXTQQBRPU-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000128083858 442243906 /nfs/dbraw/zinc/24/39/06/442243906.db2.gz CMHPFSJESFSQOO-HOCLYGCPSA-N 2 0 347.459 1.696 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000128510153 442271203 /nfs/dbraw/zinc/27/12/03/442271203.db2.gz HEFBHJMCUKJMKJ-ZWKOTPCHSA-N 2 0 344.503 1.798 20 0 EDADRP Cc1cccc(F)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130550631 442349077 /nfs/dbraw/zinc/34/90/77/442349077.db2.gz SPMWEILIMBVAOV-UHFFFAOYSA-N 2 0 338.427 1.024 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000171105047 442313007 /nfs/dbraw/zinc/31/30/07/442313007.db2.gz MTLPLPBUXASPKT-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132238928 442389330 /nfs/dbraw/zinc/38/93/30/442389330.db2.gz UPSHLDMPCNYZIV-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000177551768 442356834 /nfs/dbraw/zinc/35/68/34/442356834.db2.gz GPKOLCUCDPORTQ-HNNXBMFYSA-N 2 0 336.484 1.640 20 0 EDADRP C[N@H+](CCNC(=O)CN1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000155898541 442435213 /nfs/dbraw/zinc/43/52/13/442435213.db2.gz COTJVGAPHYCGBH-UHFFFAOYSA-N 2 0 345.491 1.194 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)C[C@@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000178669830 442454231 /nfs/dbraw/zinc/45/42/31/442454231.db2.gz UXLBZRBVEPGPOH-ROUUACIJSA-N 2 0 328.497 1.720 20 0 EDADRP C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000172583606 442496124 /nfs/dbraw/zinc/49/61/24/442496124.db2.gz FKCBTGDGFRDTET-QGZVFWFLSA-N 2 0 346.475 1.676 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000178856697 442505408 /nfs/dbraw/zinc/50/54/08/442505408.db2.gz SWSKSFAPFJGEDB-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CCCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000178720113 442462267 /nfs/dbraw/zinc/46/22/67/442462267.db2.gz WKFHOAKJYJTBLD-OAHLLOKOSA-N 2 0 335.448 1.394 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000179190063 442594098 /nfs/dbraw/zinc/59/40/98/442594098.db2.gz MOTKIUVUORIFRJ-ROUUACIJSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000192521075 442657246 /nfs/dbraw/zinc/65/72/46/442657246.db2.gz JKUWKVYLBQFGHO-TXPKVOOTSA-N 2 0 333.476 1.866 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000135653369 442623505 /nfs/dbraw/zinc/62/35/05/442623505.db2.gz DWOKZTZQBFOHRH-AWEZNQCLSA-N 2 0 349.479 1.304 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000157922712 442628193 /nfs/dbraw/zinc/62/81/93/442628193.db2.gz ZAETUIPBPYEYFO-XJKSGUPXSA-N 2 0 336.505 1.804 20 0 EDADRP C[N@H+](CC(=O)N1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCSC1 ZINC000157969878 442632941 /nfs/dbraw/zinc/63/29/41/442632941.db2.gz MRKSONZTNASDST-MRXNPFEDSA-N 2 0 325.522 1.901 20 0 EDADRP C[C@H]1CN(CCN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000192835132 442691336 /nfs/dbraw/zinc/69/13/36/442691336.db2.gz ZLYWJGYJBMWJLB-AZUAARDMSA-N 2 0 347.503 1.276 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000193002167 442704339 /nfs/dbraw/zinc/70/43/39/442704339.db2.gz VJTKQKXZYHPIPF-YQQQUEKLSA-N 2 0 344.503 1.693 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246335384 442773568 /nfs/dbraw/zinc/77/35/68/442773568.db2.gz LJQYPRKDDRGQHZ-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268002851 442814292 /nfs/dbraw/zinc/81/42/92/442814292.db2.gz NWNAYHAFIAXCFO-SJORKVTESA-N 2 0 334.464 1.980 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000247250432 442844010 /nfs/dbraw/zinc/84/40/10/442844010.db2.gz WDVOJWJIQFHPBW-MAUKXSAKSA-N 2 0 348.491 1.939 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1[NH+](C)C ZINC000268136170 442863699 /nfs/dbraw/zinc/86/36/99/442863699.db2.gz FBSZEVWRBVKOPA-QAPCUYQASA-N 2 0 345.491 1.638 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCOCC1 ZINC000181834377 318491033 /nfs/dbraw/zinc/49/10/33/318491033.db2.gz PGNYHIGICDIEMR-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616076 442907935 /nfs/dbraw/zinc/90/79/35/442907935.db2.gz YYGPGKRGRGNUJN-PBWTXFEYSA-N 2 0 340.508 1.786 20 0 EDADRP C[C@]1(C(N)=O)CCCCN1C/C=C/C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000248629533 442910142 /nfs/dbraw/zinc/91/01/42/442910142.db2.gz VZDJYDBEBXQPOU-HNGSOEQISA-N 2 0 336.480 1.002 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)C1 ZINC000189290978 442913756 /nfs/dbraw/zinc/91/37/56/442913756.db2.gz BYRNBYNBOCQMBZ-RYQLBKOJSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000194872944 442963587 /nfs/dbraw/zinc/96/35/87/442963587.db2.gz DXAOBVWVLQZCGK-INIZCTEOSA-N 2 0 334.464 1.705 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)NCC[N@H+](C)C2CCCC2)C[C@H](C)O1 ZINC000194954298 442972526 /nfs/dbraw/zinc/97/25/26/442972526.db2.gz PLZOMRFUFDJNNZ-IYBDPMFKSA-N 2 0 340.512 1.611 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)C)CC2)CC1 ZINC000195137972 442988715 /nfs/dbraw/zinc/98/87/15/442988715.db2.gz ZFMHOZUJSODEOL-UHFFFAOYSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000184074563 442989056 /nfs/dbraw/zinc/98/90/56/442989056.db2.gz QWQWSYNYMAGWEP-INIZCTEOSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)Cn1cccn1 ZINC000189953561 443036299 /nfs/dbraw/zinc/03/62/99/443036299.db2.gz VFJFVRQRHJEMOQ-LMMKCTJWSA-N 2 0 342.487 1.990 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(C)CC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000185108713 443139139 /nfs/dbraw/zinc/13/91/39/443139139.db2.gz PVXXSEJCUUDVQY-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268864719 443130018 /nfs/dbraw/zinc/13/00/18/443130018.db2.gz IRDWIXQYPNIEBJ-ZWKOTPCHSA-N 2 0 346.519 1.810 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[NH2+]1 ZINC000261831176 443171071 /nfs/dbraw/zinc/17/10/71/443171071.db2.gz OVDYNUHSBXVIAO-YGRLFVJLSA-N 2 0 326.238 1.443 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000237607496 443177640 /nfs/dbraw/zinc/17/76/40/443177640.db2.gz VIVOVZUASQCFHP-JTDSTZFVSA-N 2 0 345.487 1.879 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262303608 443189714 /nfs/dbraw/zinc/18/97/14/443189714.db2.gz BXPKAMLMPFCCQI-FXAWDEMLSA-N 2 0 349.519 1.918 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H]1C ZINC000262864998 443215514 /nfs/dbraw/zinc/21/55/14/443215514.db2.gz ULWSLOZOYKFVMM-HOTGVXAUSA-N 2 0 330.476 1.256 20 0 EDADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504226 319112862 /nfs/dbraw/zinc/11/28/62/319112862.db2.gz IGJXYSSVOURJOQ-AWEZNQCLSA-N 2 0 342.443 1.436 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000382659156 319124291 /nfs/dbraw/zinc/12/42/91/319124291.db2.gz NWASONKTARGZTR-UYAOXDASSA-N 2 0 349.519 1.522 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000382738352 319125193 /nfs/dbraw/zinc/12/51/93/319125193.db2.gz KSQRXPRUJKQIEV-XLIONFOSSA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000411457818 319183121 /nfs/dbraw/zinc/18/31/21/319183121.db2.gz NWRFUVWAGICDNE-CQSZACIVSA-N 2 0 349.475 1.955 20 0 EDADRP C[NH+](C)CC1(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)CCCCC1 ZINC000413821795 319292043 /nfs/dbraw/zinc/29/20/43/319292043.db2.gz SKUKRXLZLAFQIZ-MRXNPFEDSA-N 2 0 325.497 1.462 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414672973 319339366 /nfs/dbraw/zinc/33/93/66/319339366.db2.gz PWWDAPILTPEUSQ-UHFFFAOYSA-N 2 0 348.422 1.012 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414683285 319341856 /nfs/dbraw/zinc/34/18/56/319341856.db2.gz ZVPKWOFNQNZWOY-CVEARBPZSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414684374 319342122 /nfs/dbraw/zinc/34/21/22/319342122.db2.gz VITMMBCCBXIZAC-RDBSUJKOSA-N 2 0 325.478 1.715 20 0 EDADRP CC(C)Cn1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000414993908 319344335 /nfs/dbraw/zinc/34/43/35/319344335.db2.gz UVHALSJLXZDTLX-CQSZACIVSA-N 2 0 333.402 1.465 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000415182742 319347998 /nfs/dbraw/zinc/34/79/98/319347998.db2.gz BXQHHSMQKJHZGP-INIZCTEOSA-N 2 0 344.459 1.478 20 0 EDADRP C[NH+](C)CCCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000266876537 443275806 /nfs/dbraw/zinc/27/58/06/443275806.db2.gz YYXZUQIXQPXSTK-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([NH+](C)C)C3)CC2)c1 ZINC000266853808 443267752 /nfs/dbraw/zinc/26/77/52/443267752.db2.gz RZWUSDZYWQKLCM-IBGZPJMESA-N 2 0 344.503 1.670 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000416813442 319462649 /nfs/dbraw/zinc/46/26/49/319462649.db2.gz UMNQUBGSLOKMGK-FGTMMUONSA-N 2 0 330.476 1.930 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000416827680 319464861 /nfs/dbraw/zinc/46/48/61/319464861.db2.gz RJWYOCCWPBLNBC-YJBOKZPZSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416941833 319480663 /nfs/dbraw/zinc/48/06/63/319480663.db2.gz KLNGOLFVVXOSIH-WCVJEAGWSA-N 2 0 326.485 1.255 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416943667 319481252 /nfs/dbraw/zinc/48/12/52/319481252.db2.gz COIINFAQRXPXGL-HZPDHXFCSA-N 2 0 326.485 1.160 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417483350 319496150 /nfs/dbraw/zinc/49/61/50/319496150.db2.gz RMZKBNKGALJLIB-KRWDZBQOSA-N 2 0 348.491 1.768 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418420955 319500820 /nfs/dbraw/zinc/50/08/20/319500820.db2.gz ZUFVSDVINXHUII-DLBZAZTESA-N 2 0 339.528 1.173 20 0 EDADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267078793 443334949 /nfs/dbraw/zinc/33/49/49/443334949.db2.gz FXKCSYYTOSDKOV-SJLPKXTDSA-N 2 0 335.517 1.713 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418689615 319511386 /nfs/dbraw/zinc/51/13/86/319511386.db2.gz VPXDMQAPYXBJPO-MDMSPXHWSA-N 2 0 328.460 1.429 20 0 EDADRP O=CN1CCC([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000278660356 443392853 /nfs/dbraw/zinc/39/28/53/443392853.db2.gz IQQSQSMGCNAABP-HXUWFJFHSA-N 2 0 345.487 1.642 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269690565 443398317 /nfs/dbraw/zinc/39/83/17/443398317.db2.gz WPBDAJAWCMYTJA-KMFMINBZSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278980371 443480913 /nfs/dbraw/zinc/48/09/13/443480913.db2.gz JXLMPYRWKBNVPD-YOEHRIQHSA-N 2 0 327.432 1.519 20 0 EDADRP CO[C@@H](C)CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272805984 443452535 /nfs/dbraw/zinc/45/25/35/443452535.db2.gz IHOJYMIFTQVEEY-INIZCTEOSA-N 2 0 334.464 1.525 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422943404 319739332 /nfs/dbraw/zinc/73/93/32/319739332.db2.gz KGBHNFWJIVUDQH-OAHLLOKOSA-N 2 0 339.505 1.804 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950745 319741042 /nfs/dbraw/zinc/74/10/42/319741042.db2.gz WRULGUOHUVHISY-ZFWWWQNUSA-N 2 0 325.478 1.730 20 0 EDADRP C[C@@H](C[NH3+])N[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423368847 319768049 /nfs/dbraw/zinc/76/80/49/319768049.db2.gz NRULQTIOUHDPLS-LRDDRELGSA-N 2 0 338.883 1.515 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)Cc2ccccc2C1 ZINC000423421803 319773905 /nfs/dbraw/zinc/77/39/05/319773905.db2.gz KMFKQAMMTUSYPC-KRWDZBQOSA-N 2 0 329.488 1.980 20 0 EDADRP CCOC(=O)C1([C@H](C)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[NH2+]CC1 ZINC000423535314 319782476 /nfs/dbraw/zinc/78/24/76/319782476.db2.gz XKSVNFHKKYAWGO-RYQLBKOJSA-N 2 0 345.487 1.653 20 0 EDADRP O=C1CCN(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000273031022 443524129 /nfs/dbraw/zinc/52/41/29/443524129.db2.gz DLFMZTZJKBYAKI-UHFFFAOYSA-N 2 0 330.476 1.016 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000423749831 319810119 /nfs/dbraw/zinc/81/01/19/319810119.db2.gz CIHUWCCOOVZEDO-SFHVURJKSA-N 2 0 345.487 1.631 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000273096503 443537884 /nfs/dbraw/zinc/53/78/84/443537884.db2.gz OVOUVTQHTGLBQJ-MRXNPFEDSA-N 2 0 349.475 1.212 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2nc(-c3ccccc3)no2)CC1 ZINC000433165923 319973490 /nfs/dbraw/zinc/97/34/90/319973490.db2.gz JFGIIEICIYMHBB-UHFFFAOYSA-N 2 0 343.431 1.556 20 0 EDADRP CC[C@@](C)(OC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279981866 443652289 /nfs/dbraw/zinc/65/22/89/443652289.db2.gz FNEMBWJLXRMUBZ-GOSISDBHSA-N 2 0 334.464 1.525 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000441055296 320087014 /nfs/dbraw/zinc/08/70/14/320087014.db2.gz ZDJWDODGOYKDEV-IOASZLSFSA-N 2 0 326.510 1.348 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457584341 320329461 /nfs/dbraw/zinc/32/94/61/320329461.db2.gz TXOZJCHKCXZOAX-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](C[N@H+](C)CCC(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000459820837 320350282 /nfs/dbraw/zinc/35/02/82/320350282.db2.gz FIWYMZZLSPJZOW-AWEZNQCLSA-N 2 0 327.469 1.060 20 0 EDADRP C[C@@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)NC(=O)C1CCCC1 ZINC000531118662 320649454 /nfs/dbraw/zinc/64/94/54/320649454.db2.gz XJYXMMKEWZXBIJ-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OCCCO2 ZINC000531357878 320656761 /nfs/dbraw/zinc/65/67/61/320656761.db2.gz JNPIFJATJOJYJO-UHFFFAOYSA-N 2 0 335.448 1.413 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000537957102 320740427 /nfs/dbraw/zinc/74/04/27/320740427.db2.gz REHODRPGIFQEHV-QZTJIDSGSA-N 2 0 345.491 1.413 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)CC1 ZINC000538194616 320741935 /nfs/dbraw/zinc/74/19/35/320741935.db2.gz MFSKNIMWXSEVSH-OAHLLOKOSA-N 2 0 343.479 1.415 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161344 443923565 /nfs/dbraw/zinc/92/35/65/443923565.db2.gz XBROUTKPVBULKA-BLGFXRMMSA-N 2 0 332.492 1.913 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000299516607 444067636 /nfs/dbraw/zinc/06/76/36/444067636.db2.gz WIJNPIYWUYORCX-UHFFFAOYSA-N 2 0 346.519 1.964 20 0 EDADRP CSCc1cnc(CNCCC[N@@H+]2CCC[C@H]2C(N)=O)s1 ZINC000293643324 444078350 /nfs/dbraw/zinc/07/83/50/444078350.db2.gz RWQXNXHNQUCUDJ-LBPRGKRZSA-N 2 0 328.507 1.436 20 0 EDADRP NS(=O)(=O)CCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285727446 444087491 /nfs/dbraw/zinc/08/74/91/444087491.db2.gz XISNBYUQACOETR-KRWDZBQOSA-N 2 0 337.489 1.263 20 0 EDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457031 321058619 /nfs/dbraw/zinc/05/86/19/321058619.db2.gz RJFURAJSISHAHK-GWCFXTLKSA-N 2 0 349.859 1.297 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000562915506 321081263 /nfs/dbraw/zinc/08/12/63/321081263.db2.gz QFFLUPGKPHMIHB-LSDHHAIUSA-N 2 0 334.468 1.535 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000562993721 321086670 /nfs/dbraw/zinc/08/66/70/321086670.db2.gz MQVZVDRFXUAZLB-RBUKOAKNSA-N 2 0 349.519 1.598 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000563369753 321106142 /nfs/dbraw/zinc/10/61/42/321106142.db2.gz OKVXMGIZNFMLGW-UHFFFAOYSA-N 2 0 332.492 1.110 20 0 EDADRP CNC(=O)CCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000563932222 321116083 /nfs/dbraw/zinc/11/60/83/321116083.db2.gz VCWMABJCIPPLBS-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116714 321217623 /nfs/dbraw/zinc/21/76/23/321217623.db2.gz KKQKUOFHYNZFOI-WMZOPIPTSA-N 2 0 334.460 1.517 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000566205882 321222275 /nfs/dbraw/zinc/22/22/75/321222275.db2.gz JBXICMHKUUZGNB-NSHDSACASA-N 2 0 333.310 1.383 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCSC1 ZINC000566795338 321233823 /nfs/dbraw/zinc/23/38/23/321233823.db2.gz LKBDVFGHJPZTKA-FUHWJXTLSA-N 2 0 348.516 1.691 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CCCC[NH3+] ZINC000566976989 321238400 /nfs/dbraw/zinc/23/84/00/321238400.db2.gz XQOCXLYZPHJLLG-UHFFFAOYSA-N 2 0 334.464 1.905 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567522650 321244648 /nfs/dbraw/zinc/24/46/48/321244648.db2.gz WPCAUWRCBHEEAX-QZTJIDSGSA-N 2 0 332.492 1.928 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000567647027 321250564 /nfs/dbraw/zinc/25/05/64/321250564.db2.gz LWLROALLXWNKRT-KFWWJZLASA-N 2 0 334.464 1.361 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)Cc1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000567691189 321253083 /nfs/dbraw/zinc/25/30/83/321253083.db2.gz RGPPWSBIVUQRGV-MAUKXSAKSA-N 2 0 339.911 1.717 20 0 EDADRP C[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000567800502 321258366 /nfs/dbraw/zinc/25/83/66/321258366.db2.gz SJBJXKOIPJLFTM-NVXWUHKLSA-N 2 0 332.492 1.465 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000567894655 321266801 /nfs/dbraw/zinc/26/68/01/321266801.db2.gz MFJQDGKEVCQZMW-GOSISDBHSA-N 2 0 345.468 1.960 20 0 EDADRP CC[C@@H](O)[C@H](CC)NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000568293903 321287046 /nfs/dbraw/zinc/28/70/46/321287046.db2.gz WYAAQYYDAVMQST-ZWKOTPCHSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000569248444 321322632 /nfs/dbraw/zinc/32/26/32/321322632.db2.gz PNFYPOWKQQQELP-QRVBRYPASA-N 2 0 339.524 1.264 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000570038125 321335069 /nfs/dbraw/zinc/33/50/69/321335069.db2.gz VGKSOVHLCPIYTH-MRXNPFEDSA-N 2 0 334.439 1.047 20 0 EDADRP COc1cc(N[C@@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000570570910 321348987 /nfs/dbraw/zinc/34/89/87/321348987.db2.gz NXAFCUIJMUEQCJ-MRXNPFEDSA-N 2 0 348.491 1.485 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c(cn1)CCCC2 ZINC000570770051 321356393 /nfs/dbraw/zinc/35/63/93/321356393.db2.gz ALORFSWOZYMJTM-UHFFFAOYSA-N 2 0 333.480 1.918 20 0 EDADRP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000570814841 321359991 /nfs/dbraw/zinc/35/99/91/321359991.db2.gz QIKGJTQLEZHGEZ-HOTGVXAUSA-N 2 0 338.496 1.448 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000572056742 321412505 /nfs/dbraw/zinc/41/25/05/321412505.db2.gz ZFXVXYLFWBRURL-HZPDHXFCSA-N 2 0 349.523 1.931 20 0 EDADRP CN(CCC[N@H+](C)CCc1nc2ccccc2n1C)CC[NH+](C)C ZINC000289457087 444148877 /nfs/dbraw/zinc/14/88/77/444148877.db2.gz PQQAPJMRCYWYEJ-UHFFFAOYSA-N 2 0 331.508 1.931 20 0 EDADRP C[NH+](C)C[C@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573336313 321449827 /nfs/dbraw/zinc/44/98/27/321449827.db2.gz LWTCYQOKJIAEAN-CVEARBPZSA-N 2 0 325.522 1.757 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@H]2CO)ncn1 ZINC000301444120 444172029 /nfs/dbraw/zinc/17/20/29/444172029.db2.gz JLMOKEOFVDJVIE-HOTGVXAUSA-N 2 0 333.480 1.748 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296063245 444201988 /nfs/dbraw/zinc/20/19/88/444201988.db2.gz WBMIACVQXLLNOV-OHRKKDJYSA-N 2 0 337.489 1.871 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316006 444246590 /nfs/dbraw/zinc/24/65/90/444246590.db2.gz OIBJYZBJHJTUDB-UXHICEINSA-N 2 0 347.503 1.133 20 0 EDADRP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000576578753 321578172 /nfs/dbraw/zinc/57/81/72/321578172.db2.gz LWXJPCXEOUSNOW-POAQFYNOSA-N 2 0 331.504 1.898 20 0 EDADRP CN1CCC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000576791281 321596344 /nfs/dbraw/zinc/59/63/44/321596344.db2.gz UOXUHHCKIUGLBI-WMZOPIPTSA-N 2 0 332.492 1.156 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000305706719 444274131 /nfs/dbraw/zinc/27/41/31/444274131.db2.gz WFXAFVBBEHCOFU-GUDVDZBRSA-N 2 0 345.487 1.612 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C1 ZINC000316213357 444309417 /nfs/dbraw/zinc/30/94/17/444309417.db2.gz SSFRMWYISUNJHB-OAGGEKHMSA-N 2 0 329.510 1.122 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000577731585 321677442 /nfs/dbraw/zinc/67/74/42/321677442.db2.gz IARCIXBNCKMNKJ-AWEZNQCLSA-N 2 0 343.406 1.845 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCSc2ccc(F)cc2)CC1 ZINC000577741698 321678522 /nfs/dbraw/zinc/67/85/22/321678522.db2.gz WWQQCNALTCUGAG-MRXNPFEDSA-N 2 0 341.496 1.506 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000578207343 321738904 /nfs/dbraw/zinc/73/89/04/321738904.db2.gz UCXLSLJTIWSRQD-LSDHHAIUSA-N 2 0 346.475 1.881 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000337692479 444355805 /nfs/dbraw/zinc/35/58/05/444355805.db2.gz VSKYLTGQIAPNAZ-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000337712644 444367478 /nfs/dbraw/zinc/36/74/78/444367478.db2.gz HWOYTFNQTPILAP-OAHLLOKOSA-N 2 0 336.505 1.965 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CN1C1CC1 ZINC000290836152 444328616 /nfs/dbraw/zinc/32/86/16/444328616.db2.gz YBJXMNMOADOGCT-RVZJWNSFSA-N 2 0 349.500 1.926 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331203707 444442504 /nfs/dbraw/zinc/44/25/04/444442504.db2.gz ZYFMPIQQUCTLRO-OAHLLOKOSA-N 2 0 325.478 1.511 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580079130 322007124 /nfs/dbraw/zinc/00/71/24/322007124.db2.gz JMGQKDRKSHJGDJ-QUCCMNQESA-N 2 0 342.487 1.896 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000338044546 444498114 /nfs/dbraw/zinc/49/81/14/444498114.db2.gz BSDUEGFFXQLXQX-KZNAEPCWSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000580420798 322048080 /nfs/dbraw/zinc/04/80/80/322048080.db2.gz QVWJKYZCVWRFBE-YJBOKZPZSA-N 2 0 328.460 1.868 20 0 EDADRP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CC2 ZINC000580436873 322051116 /nfs/dbraw/zinc/05/11/16/322051116.db2.gz YJSQQQPJPXGTLK-ICSRJNTNSA-N 2 0 331.504 1.995 20 0 EDADRP Cn1ccnc1[C@@H](CC(=O)NC[C@@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000580568259 322069272 /nfs/dbraw/zinc/06/92/72/322069272.db2.gz AXDAOADXPUBLJQ-NWDGAFQWSA-N 2 0 332.370 1.914 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000580774756 322093832 /nfs/dbraw/zinc/09/38/32/322093832.db2.gz KXVPFOMPUYXTAO-ZCNNSNEGSA-N 2 0 325.456 1.475 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C[C@@H]2CCC[NH2+]C2)CC1 ZINC000581022455 322126041 /nfs/dbraw/zinc/12/60/41/322126041.db2.gz WADWYPCYNAMBCG-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CN1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000581476196 322181638 /nfs/dbraw/zinc/18/16/38/322181638.db2.gz IRFZQKYPQMQPST-LBPRGKRZSA-N 2 0 346.353 1.734 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@@H](C)C1 ZINC000581478365 322182119 /nfs/dbraw/zinc/18/21/19/322182119.db2.gz GWSGYNCQEGWQBU-GJZGRUSLSA-N 2 0 326.485 1.135 20 0 EDADRP Cn1ccnc1[C@@H]1N(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1(C)C ZINC000581993165 322241604 /nfs/dbraw/zinc/24/16/04/322241604.db2.gz SXLZSYCSHNIJBZ-MNOVXSKESA-N 2 0 327.379 1.510 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332226036 444506365 /nfs/dbraw/zinc/50/63/65/444506365.db2.gz BYRBOOQMQZAGCL-PMPSAXMXSA-N 2 0 338.496 1.100 20 0 EDADRP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332596365 444521622 /nfs/dbraw/zinc/52/16/22/444521622.db2.gz HVNGCYPKWPLMDE-QKPAOTATSA-N 2 0 329.510 1.311 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1)C(=O)N1CCNC1=O ZINC000329383528 444558169 /nfs/dbraw/zinc/55/81/69/444558169.db2.gz OWWDINBSKHROIP-NWDGAFQWSA-N 2 0 333.436 1.230 20 0 EDADRP C[C@@H]1CN(c2ccccn2)C[C@@H]1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000343851206 444627508 /nfs/dbraw/zinc/62/75/08/444627508.db2.gz MNRGXEPJOBISPA-VYDXJSESSA-N 2 0 328.460 1.754 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341012109 444631182 /nfs/dbraw/zinc/63/11/82/444631182.db2.gz HPUSPGYWPZTRAG-ULQDDVLXSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343968957 444701201 /nfs/dbraw/zinc/70/12/01/444701201.db2.gz BLAQILKWDHOWDU-QAPCUYQASA-N 2 0 332.492 1.984 20 0 EDADRP COc1ccc(COC[C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000341190557 444719524 /nfs/dbraw/zinc/71/95/24/444719524.db2.gz NFBPDEDMTQNNCQ-GOSISDBHSA-N 2 0 336.476 1.846 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)n2)[C@@H](C)C[NH+]1C ZINC000342547014 444739670 /nfs/dbraw/zinc/73/96/70/444739670.db2.gz PXKOTDDJOSKJEY-FZKCQIBNSA-N 2 0 332.496 1.534 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032318 444740013 /nfs/dbraw/zinc/74/00/13/444740013.db2.gz PUUJZAPHOLVOGQ-IAGOWNOFSA-N 2 0 326.529 1.497 20 0 EDADRP C[C@@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000341289093 444763667 /nfs/dbraw/zinc/76/36/67/444763667.db2.gz OQLKIYWXSUMTMH-SFHVURJKSA-N 2 0 346.519 1.903 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000341423543 444822604 /nfs/dbraw/zinc/82/26/04/444822604.db2.gz LEDLLJMDTZNISY-IRXDYDNUSA-N 2 0 326.529 1.497 20 0 EDADRP c1csc(-c2noc(CCC[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000336879274 444825666 /nfs/dbraw/zinc/82/56/66/444825666.db2.gz LVQIGWNSXLBRCB-AWEZNQCLSA-N 2 0 347.488 1.710 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000341438380 444832435 /nfs/dbraw/zinc/83/24/35/444832435.db2.gz ZQIPFUYCRLDRFL-CQSZACIVSA-N 2 0 340.512 1.658 20 0 EDADRP Cc1cnc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1C ZINC000342797906 444871541 /nfs/dbraw/zinc/87/15/41/444871541.db2.gz RDHVUXWNLOSACW-UHFFFAOYSA-N 2 0 349.523 1.645 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000343036329 445020176 /nfs/dbraw/zinc/02/01/76/445020176.db2.gz XTHTYADXISVSMR-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000341936714 445081989 /nfs/dbraw/zinc/08/19/89/445081989.db2.gz ANUIONSRGBNMPT-XNRPHZJLSA-N 2 0 326.510 1.206 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339547857 445149002 /nfs/dbraw/zinc/14/90/02/445149002.db2.gz VOVRBHZETIOGGA-KYJSFNMBSA-N 2 0 334.508 1.842 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346225544 445208879 /nfs/dbraw/zinc/20/88/79/445208879.db2.gz ZRRJSMLXWRXJTR-HRCADAONSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[N@@H+]1C ZINC000345734945 445197828 /nfs/dbraw/zinc/19/78/28/445197828.db2.gz COFWFZVEODAFDP-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP Cn1ccnc1CN1C[C@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102379 445268771 /nfs/dbraw/zinc/26/87/71/445268771.db2.gz NKJPXYNRTUGVCS-IKGGRYGDSA-N 2 0 337.487 1.749 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351700176 445279209 /nfs/dbraw/zinc/27/92/09/445279209.db2.gz PXYNMDPMAXHPOE-OAHLLOKOSA-N 2 0 328.501 1.326 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)N1CCOCC1 ZINC000343654126 445284769 /nfs/dbraw/zinc/28/47/69/445284769.db2.gz NNQIWLPRZATGQX-OAGGEKHMSA-N 2 0 326.485 1.125 20 0 EDADRP CC1CC[NH+](CC(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000354669256 445333425 /nfs/dbraw/zinc/33/34/25/445333425.db2.gz KIXUQLAFKMFCIW-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000351837839 445338742 /nfs/dbraw/zinc/33/87/42/445338742.db2.gz IYJZVCAEEHQTDZ-VQHPVUNQSA-N 2 0 340.512 1.203 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H]1Oc1ccccc1 ZINC000359659613 445361530 /nfs/dbraw/zinc/36/15/30/445361530.db2.gz HVVKOADNOIIRGK-AQNXPRMDSA-N 2 0 348.487 1.905 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000351898964 445362051 /nfs/dbraw/zinc/36/20/51/445362051.db2.gz LTOWHNABTPHFJT-IAGOWNOFSA-N 2 0 342.528 1.595 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000357073313 445408424 /nfs/dbraw/zinc/40/84/24/445408424.db2.gz AWEQDFIUMLFZMN-YCPHGPKFSA-N 2 0 336.484 1.052 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000357079200 445412944 /nfs/dbraw/zinc/41/29/44/445412944.db2.gz DAZMPMSELKQEGG-QZTJIDSGSA-N 2 0 343.471 1.428 20 0 EDADRP COc1ccccc1CNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083015 445416639 /nfs/dbraw/zinc/41/66/39/445416639.db2.gz IGORWJHRERAKMW-INIZCTEOSA-N 2 0 331.460 1.633 20 0 EDADRP c1cc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@H]4C3)n2)cc2c1OCO2 ZINC000357091759 445422914 /nfs/dbraw/zinc/42/29/14/445422914.db2.gz WWHWXEGXNUIJSL-STQMWFEESA-N 2 0 328.372 1.507 20 0 EDADRP C[C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000357097971 445427787 /nfs/dbraw/zinc/42/77/87/445427787.db2.gz JALJPWAAYPTWCA-NVXWUHKLSA-N 2 0 332.448 1.277 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000352000430 445429241 /nfs/dbraw/zinc/42/92/41/445429241.db2.gz VDLQERHXVSWXEL-UHFFFAOYSA-N 2 0 347.507 1.493 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359702502 445383655 /nfs/dbraw/zinc/38/36/55/445383655.db2.gz GQMZRQVSLGYOSM-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000362653760 445480783 /nfs/dbraw/zinc/48/07/83/445480783.db2.gz BCHCUVWVZLQIRT-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1n[nH]cc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348895139 445432422 /nfs/dbraw/zinc/43/24/22/445432422.db2.gz PQIJLAJIKKZBBF-UHFFFAOYSA-N 2 0 333.480 1.532 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)ccc21 ZINC000349034832 445483140 /nfs/dbraw/zinc/48/31/40/445483140.db2.gz GIKAISKQPLKFDR-UHFFFAOYSA-N 2 0 342.491 1.428 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)CC(C)C ZINC000362564289 445441375 /nfs/dbraw/zinc/44/13/75/445441375.db2.gz JJJUGZJYWXSXOF-CABCVRRESA-N 2 0 335.496 1.973 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000348990632 445468029 /nfs/dbraw/zinc/46/80/29/445468029.db2.gz MBSHLFLDTAWKOI-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000348995915 445469951 /nfs/dbraw/zinc/46/99/51/445469951.db2.gz WIHTYLDHOQHDRF-UHFFFAOYSA-N 2 0 331.460 1.188 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@H]1[NH+](C)C ZINC000362631380 445471069 /nfs/dbraw/zinc/47/10/69/445471069.db2.gz OYBIMYNWEWAAHT-HLLBOEOZSA-N 2 0 338.496 1.079 20 0 EDADRP CC(C)[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000348999653 445471357 /nfs/dbraw/zinc/47/13/57/445471357.db2.gz MMSDYHGSOJZLKZ-LJQANCHMSA-N 2 0 345.487 1.564 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000359922975 445489970 /nfs/dbraw/zinc/48/99/70/445489970.db2.gz IYYKGSDWOOTYER-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362807068 445558399 /nfs/dbraw/zinc/55/83/99/445558399.db2.gz FSZFOIYFAOBKAQ-IRXDYDNUSA-N 2 0 345.491 1.802 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362807066 445558679 /nfs/dbraw/zinc/55/86/79/445558679.db2.gz FSZFOIYFAOBKAQ-DLBZAZTESA-N 2 0 345.491 1.802 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000362870508 445589558 /nfs/dbraw/zinc/58/95/58/445589558.db2.gz DPGWEVLDJLGUKX-MOPGFXCFSA-N 2 0 343.471 1.875 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000362774103 445543842 /nfs/dbraw/zinc/54/38/42/445543842.db2.gz IDXPOIKAACYTRZ-QGZVFWFLSA-N 2 0 345.491 1.687 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000360166173 445606648 /nfs/dbraw/zinc/60/66/48/445606648.db2.gz XGBJWOULOVZZMR-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358517881 445628256 /nfs/dbraw/zinc/62/82/56/445628256.db2.gz PZARZKLBJUBIEJ-UHFFFAOYSA-N 2 0 331.460 1.525 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000353502312 445632705 /nfs/dbraw/zinc/63/27/05/445632705.db2.gz PNXBSIQGEADAMH-KRWDZBQOSA-N 2 0 346.475 1.840 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360249292 445656359 /nfs/dbraw/zinc/65/63/59/445656359.db2.gz KPXWKCKTCOIALJ-QGZVFWFLSA-N 2 0 342.553 1.843 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360283291 445675444 /nfs/dbraw/zinc/67/54/44/445675444.db2.gz GRZWUTAOIWFYIS-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)[C@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCO1 ZINC000353671405 445701981 /nfs/dbraw/zinc/70/19/81/445701981.db2.gz KDFXEIUXKICWBO-IAGOWNOFSA-N 2 0 325.497 1.772 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(=O)NC)CC2)CC1 ZINC000349768069 445672255 /nfs/dbraw/zinc/67/22/55/445672255.db2.gz MOLMTIRJKLCDFO-UHFFFAOYSA-N 2 0 344.503 1.787 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)C1CCN(Cc2nccn2C)CC1 ZINC000363207377 445721235 /nfs/dbraw/zinc/72/12/35/445721235.db2.gz CLIPOLDCINBSKC-UHFFFAOYSA-N 2 0 349.523 1.870 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363480610 445822692 /nfs/dbraw/zinc/82/26/92/445822692.db2.gz DLMCEQBMWOCPBX-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1COc2ccccc2C1 ZINC000363375785 445781559 /nfs/dbraw/zinc/78/15/59/445781559.db2.gz CGCJYFPXLJTBCT-SFHVURJKSA-N 2 0 347.503 1.970 20 0 EDADRP COCC1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]CC1 ZINC000358851331 445810326 /nfs/dbraw/zinc/81/03/26/445810326.db2.gz TXYKKSNCCDAQOG-KRWDZBQOSA-N 2 0 333.476 1.292 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000353974877 445836499 /nfs/dbraw/zinc/83/64/99/445836499.db2.gz TUDFYFRXKFABOM-UHFFFAOYSA-N 2 0 333.480 1.619 20 0 EDADRP O=C(CN1C[C@H]2CCC[C@@H]21)Nc1ccc(CN2CCOCC2)cc1 ZINC000350724120 445888194 /nfs/dbraw/zinc/88/81/94/445888194.db2.gz HKKYSZQHTDSFQO-AEFFLSMTSA-N 2 0 329.444 1.942 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363661231 445865825 /nfs/dbraw/zinc/86/58/25/445865825.db2.gz JEOPLENSEFBXNF-SFHVURJKSA-N 2 0 330.476 1.846 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354087358 445894233 /nfs/dbraw/zinc/89/42/33/445894233.db2.gz ZQEVVQGYQWCYCL-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000361719716 445896388 /nfs/dbraw/zinc/89/63/88/445896388.db2.gz FUOVKXVKLMZFCI-OAHLLOKOSA-N 2 0 345.487 1.998 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000350980398 445963355 /nfs/dbraw/zinc/96/33/55/445963355.db2.gz HWWGZLAERWTGLD-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3CC[NH+](C)[C@@H]3C2)CCCO1 ZINC000372965929 445949024 /nfs/dbraw/zinc/94/90/24/445949024.db2.gz FDVBHQJXWONJLF-BRWVUGGUSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)[NH+]1CCO ZINC000365106631 446028375 /nfs/dbraw/zinc/02/83/75/446028375.db2.gz DVDHZKURCFXWLP-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP CC1(CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[NH2+]CC1 ZINC000373065036 446002848 /nfs/dbraw/zinc/00/28/48/446002848.db2.gz CXMJDKPRWXEJJC-UHFFFAOYSA-N 2 0 333.480 1.489 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000583021610 325982126 /nfs/dbraw/zinc/98/21/26/325982126.db2.gz HYJBAGUEYKIGFU-MSOLQXFVSA-N 2 0 333.476 1.676 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000583084139 325996747 /nfs/dbraw/zinc/99/67/47/325996747.db2.gz YGSZABIIYZDMBC-IAOVAPTHSA-N 2 0 342.447 1.236 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000583192271 326022732 /nfs/dbraw/zinc/02/27/32/326022732.db2.gz DVIJGWFICSCWQT-GOEBONIOSA-N 2 0 331.464 1.846 20 0 EDADRP CC[C@H](C(=O)Nc1cccc(CNC(=O)[C@H](CC)[NH+](C)C)c1)[NH+](C)C ZINC000359222264 446052171 /nfs/dbraw/zinc/05/21/71/446052171.db2.gz BKQLQJPBGOPMQY-DLBZAZTESA-N 2 0 348.491 1.922 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(=O)NCC[NH+](C)C ZINC000583403324 326065958 /nfs/dbraw/zinc/06/59/58/326065958.db2.gz VRTYBJRWCDIABM-OAHLLOKOSA-N 2 0 346.475 1.079 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000359346619 446165280 /nfs/dbraw/zinc/16/52/80/446165280.db2.gz CLCXLASNQAESRV-WBVHZDCISA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CCCSC1 ZINC000362117644 446223185 /nfs/dbraw/zinc/22/31/85/446223185.db2.gz KAUDPTPTWDIWPI-RDJZCZTQSA-N 2 0 343.537 1.167 20 0 EDADRP COCCn1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000370341447 446236705 /nfs/dbraw/zinc/23/67/05/446236705.db2.gz PEMARZTVRSTYPB-UHFFFAOYSA-N 2 0 349.523 1.520 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417511333 446358635 /nfs/dbraw/zinc/35/86/35/446358635.db2.gz YSMNGLXESQSGEV-ZWKOTPCHSA-N 2 0 330.476 1.554 20 0 EDADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCN1C(=O)NC(C)(C)C1=O)CC2)C1CC1 ZINC000374299520 446361022 /nfs/dbraw/zinc/36/10/22/446361022.db2.gz YIWMYWZMLPLYND-AWEZNQCLSA-N 2 0 348.491 1.513 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc2C1 ZINC000376178783 446368851 /nfs/dbraw/zinc/36/88/51/446368851.db2.gz UMTYUBFZDSQDPR-HXUWFJFHSA-N 2 0 344.503 1.707 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365877340 446383627 /nfs/dbraw/zinc/38/36/27/446383627.db2.gz KSKQPTKLGKPXGB-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000417941026 446392923 /nfs/dbraw/zinc/39/29/23/446392923.db2.gz ADUOZKYFEMCUOU-HOTGVXAUSA-N 2 0 349.479 1.339 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)ccc1C[NH+](C)C ZINC000411229701 446431981 /nfs/dbraw/zinc/43/19/81/446431981.db2.gz VGNXRVKFHQNGIH-OAHLLOKOSA-N 2 0 346.475 1.405 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000418075510 446432822 /nfs/dbraw/zinc/43/28/22/446432822.db2.gz HBQLXEZDOKDIGJ-QWHCGFSZSA-N 2 0 336.402 1.512 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000418081898 446435557 /nfs/dbraw/zinc/43/55/57/446435557.db2.gz WDDFTECNLOYTJI-HNNXBMFYSA-N 2 0 336.505 1.641 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000418100225 446440851 /nfs/dbraw/zinc/44/08/51/446440851.db2.gz DFMXTPDFVSYRNT-FHWLQOOXSA-N 2 0 342.487 1.759 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])[C@@H]1c1ccccc1 ZINC000418184344 446451375 /nfs/dbraw/zinc/45/13/75/446451375.db2.gz PTWKJWWNECQWKZ-SZMVWBNQSA-N 2 0 348.491 1.875 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411129894 446405576 /nfs/dbraw/zinc/40/55/76/446405576.db2.gz GTLDUXSMZBMZJU-OAHLLOKOSA-N 2 0 348.491 1.842 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417985503 446408175 /nfs/dbraw/zinc/40/81/75/446408175.db2.gz FKVMWLSSBFTDCU-LUKYLMHMSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCNC[C@](C)(F)C1 ZINC000417989962 446408810 /nfs/dbraw/zinc/40/88/10/446408810.db2.gz UEKGRWZLUXMDCY-QAPCUYQASA-N 2 0 336.455 1.850 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417988122 446409087 /nfs/dbraw/zinc/40/90/87/446409087.db2.gz RNXHUBPHFTYVHD-APWZRJJASA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417995592 446410510 /nfs/dbraw/zinc/41/05/10/446410510.db2.gz QGLHJLFSRYTXRV-QZTJIDSGSA-N 2 0 346.475 1.276 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418012437 446415574 /nfs/dbraw/zinc/41/55/74/446415574.db2.gz LXTLCYQYBDOOGD-CWLKWCNXSA-N 2 0 330.476 1.886 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000418029877 446419781 /nfs/dbraw/zinc/41/97/81/446419781.db2.gz IVFOSMLTMORRAH-BZSNNMDCSA-N 2 0 348.491 1.023 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763991 446423566 /nfs/dbraw/zinc/42/35/66/446423566.db2.gz SOKPXSSLFDHJPP-QUCCMNQESA-N 2 0 343.471 1.490 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423211417 446455012 /nfs/dbraw/zinc/45/50/12/446455012.db2.gz HHCAARZWHHHKPZ-ILXRZTDVSA-N 2 0 339.505 1.990 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000418203296 446455594 /nfs/dbraw/zinc/45/55/94/446455594.db2.gz VLVJOQGYRIQVLV-AWEZNQCLSA-N 2 0 328.526 1.597 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000376372816 446459825 /nfs/dbraw/zinc/45/98/25/446459825.db2.gz BOMXJZCDLCJRDL-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH2+]C[C@H]2c2cccnc2)cc1 ZINC000420301234 446463976 /nfs/dbraw/zinc/46/39/76/446463976.db2.gz AJRLGRGTMXDMHH-HKUYNNGSSA-N 2 0 326.444 1.779 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000423268409 446470678 /nfs/dbraw/zinc/47/06/78/446470678.db2.gz DOBDKWIUPOVBGP-RRQGHBQHSA-N 2 0 337.489 1.819 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309677 446471547 /nfs/dbraw/zinc/47/15/47/446471547.db2.gz FALDSEMPWLKSEI-OALUTQOASA-N 2 0 347.503 1.924 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311988 446475952 /nfs/dbraw/zinc/47/59/52/446475952.db2.gz HKKBXLYLPVSCHZ-GHMZBOCLSA-N 2 0 331.399 1.506 20 0 EDADRP [NH3+]CCCN(Cc1nnnn1CC1CCOCC1)CC1CCCC1 ZINC000420317448 446482873 /nfs/dbraw/zinc/48/28/73/446482873.db2.gz OOZXQJATQKUANN-UHFFFAOYSA-N 2 0 336.484 1.441 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC[NH2+]C2CC2)CC[N@@H+]1CCOC ZINC000418295838 446488621 /nfs/dbraw/zinc/48/86/21/446488621.db2.gz FJIJKRHACUGXRE-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418293480 446489139 /nfs/dbraw/zinc/48/91/39/446489139.db2.gz AXDKFJUKSLKBDR-UHFFFAOYSA-N 2 0 333.436 1.064 20 0 EDADRP Cc1ccccc1CN(C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331508 446501427 /nfs/dbraw/zinc/50/14/27/446501427.db2.gz QWSWVVVTHQYTFP-QUCCMNQESA-N 2 0 345.487 1.782 20 0 EDADRP COc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345490 446516218 /nfs/dbraw/zinc/51/62/18/446516218.db2.gz VOSMAAPEQREOLE-OKILXGFUSA-N 2 0 346.431 1.275 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420337899 446507413 /nfs/dbraw/zinc/50/74/13/446507413.db2.gz XIYWVPBCVVELSX-CABCVRRESA-N 2 0 347.459 1.922 20 0 EDADRP Cn1cc(C(=O)NCC[N@H+](C)C2CCCC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423382941 446509872 /nfs/dbraw/zinc/50/98/72/446509872.db2.gz OWQIURBTSUSNGQ-CQSZACIVSA-N 2 0 333.480 1.491 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423341512 446496947 /nfs/dbraw/zinc/49/69/47/446496947.db2.gz XZEPAKYNSBTWCC-GJZGRUSLSA-N 2 0 333.480 1.301 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCCOC1CCCCC1 ZINC000420329092 446496898 /nfs/dbraw/zinc/49/68/98/446496898.db2.gz GDYKATIWNPZKPF-CALCHBBNSA-N 2 0 337.508 1.773 20 0 EDADRP COc1ccccc1[C@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329045 446497172 /nfs/dbraw/zinc/49/71/72/446497172.db2.gz FZDXQGDBBNNPJP-HRCADAONSA-N 2 0 331.460 1.804 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000418323993 446498641 /nfs/dbraw/zinc/49/86/41/446498641.db2.gz GKJZYMMMSQVYCG-WMZOPIPTSA-N 2 0 347.507 1.933 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418480177 446559843 /nfs/dbraw/zinc/55/98/43/446559843.db2.gz QNEAAKUMWVCBEY-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420384288 446559945 /nfs/dbraw/zinc/55/99/45/446559945.db2.gz GLZMTNDYGVWSBX-USXIJHARSA-N 2 0 325.497 1.756 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000423517303 446559986 /nfs/dbraw/zinc/55/99/86/446559986.db2.gz XVKSGYBLEJHOQD-YFVGIKETSA-N 2 0 337.508 1.770 20 0 EDADRP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000420388235 446562390 /nfs/dbraw/zinc/56/23/90/446562390.db2.gz XAJAVTBTPQOUHW-GDBMZVCRSA-N 2 0 336.484 1.408 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000418489069 446562570 /nfs/dbraw/zinc/56/25/70/446562570.db2.gz NRLCSAMSTSBMHP-YESZJQIVSA-N 2 0 332.448 1.177 20 0 EDADRP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)C(C)C ZINC000420388559 446563061 /nfs/dbraw/zinc/56/30/61/446563061.db2.gz XAJAVTBTPQOUHW-HOCLYGCPSA-N 2 0 336.484 1.408 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346086 446519413 /nfs/dbraw/zinc/51/94/13/446519413.db2.gz XJYNSEFNMCLGIN-CVEARBPZSA-N 2 0 326.444 1.824 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423409807 446522127 /nfs/dbraw/zinc/52/21/27/446522127.db2.gz CGSKCHGTPXDSOK-DJIMGWMZSA-N 2 0 331.464 1.506 20 0 EDADRP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347787 446523843 /nfs/dbraw/zinc/52/38/43/446523843.db2.gz ILWDTQNOHAYPFZ-OALUTQOASA-N 2 0 344.503 1.576 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423417021 446524632 /nfs/dbraw/zinc/52/46/32/446524632.db2.gz GGFNPXBWCSRLPQ-LTFPLMDUSA-N 2 0 329.488 1.600 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423417022 446524858 /nfs/dbraw/zinc/52/48/58/446524858.db2.gz GGFNPXBWCSRLPQ-UJMXGEILSA-N 2 0 329.488 1.600 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418391574 446526092 /nfs/dbraw/zinc/52/60/92/446526092.db2.gz CCCBFGJTRKUPRU-MAUKXSAKSA-N 2 0 330.476 1.887 20 0 EDADRP c1cc(OCCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000420350572 446528242 /nfs/dbraw/zinc/52/82/42/446528242.db2.gz UANVIBRZTYHUPP-OAHLLOKOSA-N 2 0 333.432 1.164 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423423613 446529662 /nfs/dbraw/zinc/52/96/62/446529662.db2.gz ZWXQZRQJRMQFSI-CVEARBPZSA-N 2 0 345.491 1.871 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000418417805 446536855 /nfs/dbraw/zinc/53/68/55/446536855.db2.gz VNIUSOCJAYAORP-ZIAGYGMSSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433163521 446540229 /nfs/dbraw/zinc/54/02/29/446540229.db2.gz PBSBDYNANZKAJJ-LJQANCHMSA-N 3 0 346.519 1.479 20 0 EDADRP Cc1ccn2cc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)nc2c1 ZINC000433170243 446542454 /nfs/dbraw/zinc/54/24/54/446542454.db2.gz VHFNEOXDJIDRIW-UHFFFAOYSA-N 2 0 329.448 1.462 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000375052088 446545728 /nfs/dbraw/zinc/54/57/28/446545728.db2.gz BLDMNCYQDCNAFM-FHLIZLRMSA-N 2 0 331.460 1.647 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC3(CCC[N@@H+]3C)CC2)CC1 ZINC000411442416 446546134 /nfs/dbraw/zinc/54/61/34/446546134.db2.gz KOPBAJSZKHFJFJ-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000418450087 446547273 /nfs/dbraw/zinc/54/72/73/446547273.db2.gz UMNPPOCSQBTQIH-HUUCEWRRSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)cc1 ZINC000418462150 446552184 /nfs/dbraw/zinc/55/21/84/446552184.db2.gz MYXVRWILGNIJEK-CKEIUWERSA-N 2 0 334.464 1.303 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@@H](C)C1 ZINC000453252237 446552776 /nfs/dbraw/zinc/55/27/76/446552776.db2.gz BWOXOVHZCLCKLH-OTWHNJEPSA-N 2 0 341.540 1.560 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000418472813 446556493 /nfs/dbraw/zinc/55/64/93/446556493.db2.gz XBSXTMVNJREZCZ-PBHICJAKSA-N 2 0 334.464 1.352 20 0 EDADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000433334856 446556792 /nfs/dbraw/zinc/55/67/92/446556792.db2.gz NAJLZOHOJFGDNZ-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420396878 446570038 /nfs/dbraw/zinc/57/00/38/446570038.db2.gz WQBBDIYHDMHLIV-UAGQMJEPSA-N 2 0 325.497 1.900 20 0 EDADRP C[N@H+](CCNC(=O)OC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367678960 446573777 /nfs/dbraw/zinc/57/37/77/446573777.db2.gz QDWSJOIZWKCRLW-MRXNPFEDSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CC[NH+](C)C2CC2)CCCO1 ZINC000433449181 446574601 /nfs/dbraw/zinc/57/46/01/446574601.db2.gz ZBGPPYGXNVERIW-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433465000 446577474 /nfs/dbraw/zinc/57/74/74/446577474.db2.gz FGDTVOXWZHHOJG-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000420406721 446580511 /nfs/dbraw/zinc/58/05/11/446580511.db2.gz RVPFPJPRYWBLGS-RDJZCZTQSA-N 2 0 333.476 1.818 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418529257 446582259 /nfs/dbraw/zinc/58/22/59/446582259.db2.gz SYMOGHXICUUSAF-PVAVHDDUSA-N 2 0 339.528 1.312 20 0 EDADRP CN(C(=O)NC[C@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418530976 446583151 /nfs/dbraw/zinc/58/31/51/446583151.db2.gz VVMLDURHFWNCLU-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)[C@H](C)N2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000420411494 446584512 /nfs/dbraw/zinc/58/45/12/446584512.db2.gz RQSQBNGFWLAJOK-VNHYZAJKSA-N 2 0 332.448 1.889 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCC[NH3+])CC1 ZINC000420411491 446585310 /nfs/dbraw/zinc/58/53/10/446585310.db2.gz RQGVBBRFOWKKGE-OAHLLOKOSA-N 2 0 338.471 1.594 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000418547261 446589002 /nfs/dbraw/zinc/58/90/02/446589002.db2.gz YEJSYGBKEAOFKS-UHFFFAOYSA-N 2 0 338.496 1.439 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@]3(CCO[C@@H]3C)C2)CC1 ZINC000376610916 446603943 /nfs/dbraw/zinc/60/39/43/446603943.db2.gz OOHNWSUUXNIYKA-GUDVDZBRSA-N 2 0 339.524 1.671 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)C[C@H]1CC ZINC000418592657 446606517 /nfs/dbraw/zinc/60/65/17/446606517.db2.gz DGWXQPKLEDLTIV-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000375257256 446675157 /nfs/dbraw/zinc/67/51/57/446675157.db2.gz XOQOOUGXGQNPOJ-QUCCMNQESA-N 2 0 343.471 1.829 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418638333 446628192 /nfs/dbraw/zinc/62/81/92/446628192.db2.gz KNJVECVKCWPUQV-WMZOPIPTSA-N 2 0 332.492 1.955 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418768163 446686445 /nfs/dbraw/zinc/68/64/45/446686445.db2.gz QWGQFSIBROHQNU-HNNXBMFYSA-N 2 0 338.402 1.509 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000418769265 446688642 /nfs/dbraw/zinc/68/86/42/446688642.db2.gz TUUYEOPRZFQBAB-QGZVFWFLSA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC)C2)c1 ZINC000411912385 446723390 /nfs/dbraw/zinc/72/33/90/446723390.db2.gz VPHMHEJRLBAVFD-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000418762150 446681730 /nfs/dbraw/zinc/68/17/30/446681730.db2.gz IPNGVBDWIXQSIY-KRWDZBQOSA-N 2 0 334.464 1.057 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1OC ZINC000437791594 446758510 /nfs/dbraw/zinc/75/85/10/446758510.db2.gz FSUBWIKQZIGAPJ-UHFFFAOYSA-N 2 0 335.448 1.570 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322562 446773459 /nfs/dbraw/zinc/77/34/59/446773459.db2.gz ZUWQIRZRWASMBX-OAHLLOKOSA-N 2 0 331.464 1.177 20 0 EDADRP C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323357 446786237 /nfs/dbraw/zinc/78/62/37/446786237.db2.gz YRMJVWNPEUBSHS-IDHHARJASA-N 2 0 342.443 1.298 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423934871 446786858 /nfs/dbraw/zinc/78/68/58/446786858.db2.gz XCSFWFQKCJIDAN-NXNVCVFFSA-N 2 0 335.496 1.635 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(c3cc(N4CCCC4)ncn3)CC2)C1 ZINC000375426688 446790939 /nfs/dbraw/zinc/79/09/39/446790939.db2.gz ODJVVEQRWGRWGG-INIZCTEOSA-N 2 0 330.480 1.293 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH3+])C3)cc2)CC1 ZINC000423990768 446811268 /nfs/dbraw/zinc/81/12/68/446811268.db2.gz ZOUAMFCYHZYSGU-QAPCUYQASA-N 2 0 330.476 1.636 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420791389 446823770 /nfs/dbraw/zinc/82/37/70/446823770.db2.gz ONTMOHDFGUPXHA-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP COCc1ccc(CNC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424301713 446867111 /nfs/dbraw/zinc/86/71/11/446867111.db2.gz YDOBZSVKQCXWRM-INIZCTEOSA-N 2 0 345.487 1.913 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419025894 446872404 /nfs/dbraw/zinc/87/24/04/446872404.db2.gz ZPHBLNABLLOCMG-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000424454574 446875397 /nfs/dbraw/zinc/87/53/97/446875397.db2.gz MDAAYPQBXYTTLI-HNNXBMFYSA-N 2 0 346.475 1.629 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000424461766 446877912 /nfs/dbraw/zinc/87/79/12/446877912.db2.gz DESQZJKRHSEPJN-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000442610659 446914282 /nfs/dbraw/zinc/91/42/82/446914282.db2.gz QBDUBXKYWHHWFJ-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419096413 446922042 /nfs/dbraw/zinc/92/20/42/446922042.db2.gz CGDSQTWBTRRFGK-BZUAXINKSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419126010 446937840 /nfs/dbraw/zinc/93/78/40/446937840.db2.gz VDWMSWIECHUSDV-RDJZCZTQSA-N 2 0 346.475 1.183 20 0 EDADRP Cc1cccc(NC[C@@H]2CCCN2CC(=O)NC[C@@H]2CCCO2)n1 ZINC000368570450 446949145 /nfs/dbraw/zinc/94/91/45/446949145.db2.gz UPRQTQIPWPOBMP-HOTGVXAUSA-N 2 0 332.448 1.562 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419210470 447012912 /nfs/dbraw/zinc/01/29/12/447012912.db2.gz VAWMBPQZDMZAJQ-OAHLLOKOSA-N 2 0 346.475 1.142 20 0 EDADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccnc3)CC2)[C@H]1C[NH3+] ZINC000372119190 447013316 /nfs/dbraw/zinc/01/33/16/447013316.db2.gz XJKVSNCDFQZZDW-QAPCUYQASA-N 2 0 330.476 1.879 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000377201375 446988511 /nfs/dbraw/zinc/98/85/11/446988511.db2.gz JMWGZDTUGBOCLO-AZUAARDMSA-N 2 0 341.455 1.972 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000377207112 446992729 /nfs/dbraw/zinc/99/27/29/446992729.db2.gz LBZXCVGEYBNJIA-KBPBESRZSA-N 2 0 332.448 1.386 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1occ2c1CCOC2 ZINC000375760688 447028250 /nfs/dbraw/zinc/02/82/50/447028250.db2.gz TYZFXXRTFDJKSZ-UHFFFAOYSA-N 2 0 337.464 1.698 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)[NH+](C)Cc1ccccc1 ZINC000444393311 447101171 /nfs/dbraw/zinc/10/11/71/447101171.db2.gz QDMPZJKREVKUGS-DLBZAZTESA-N 2 0 347.503 1.811 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1(C)C ZINC000444172466 447087592 /nfs/dbraw/zinc/08/75/92/447087592.db2.gz RLUAKMLOQGUYDL-SQGPQFPESA-N 2 0 347.503 1.808 20 0 EDADRP O=C(CC[NH+]1CCCCC1)Nc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444182525 447090865 /nfs/dbraw/zinc/09/08/65/447090865.db2.gz MAEKGPARBBKTQV-MRXNPFEDSA-N 2 0 330.432 1.802 20 0 EDADRP NC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000377481278 447154125 /nfs/dbraw/zinc/15/41/25/447154125.db2.gz IIMJQFZPOCYKRR-UHFFFAOYSA-N 2 0 331.460 1.720 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410118 447158442 /nfs/dbraw/zinc/15/84/42/447158442.db2.gz OFJMSZWUWPXTFW-HUUCEWRRSA-N 2 0 338.496 1.014 20 0 EDADRP C[N@H+](C[C@H](O)COC(C)(C)C)C1CC[NH+](C2CCOCC2)CC1 ZINC000368877212 447174316 /nfs/dbraw/zinc/17/43/16/447174316.db2.gz VAVBFOLEVVKRKD-KRWDZBQOSA-N 2 0 328.497 1.738 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425494184 447190934 /nfs/dbraw/zinc/19/09/34/447190934.db2.gz QKBXUBZZAPBWOB-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000377560726 447207343 /nfs/dbraw/zinc/20/73/43/447207343.db2.gz FMDZTBWEWQLKTC-CVGURMSBSA-N 2 0 337.414 1.915 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000419485415 447216225 /nfs/dbraw/zinc/21/62/25/447216225.db2.gz VLQRUHCWBDPGOE-HOTGVXAUSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000377581865 447220653 /nfs/dbraw/zinc/22/06/53/447220653.db2.gz NNMKFLACFTXHAS-WTTBNOFXSA-N 2 0 333.480 1.307 20 0 EDADRP C[C@@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@H+](C)CC1 ZINC000376040707 447229694 /nfs/dbraw/zinc/22/96/94/447229694.db2.gz BSBYEJMEUNRCHD-CQSZACIVSA-N 2 0 346.479 1.922 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C[NH+]1CCCC1 ZINC000376049101 447235719 /nfs/dbraw/zinc/23/57/19/447235719.db2.gz YJVCZQWOSUSMMG-HNNXBMFYSA-N 2 0 348.495 2.003 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCCO1 ZINC000446132278 447236384 /nfs/dbraw/zinc/23/63/84/447236384.db2.gz VHMCXHSBBJYFHO-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000376080779 447256554 /nfs/dbraw/zinc/25/65/54/447256554.db2.gz KDGMKLJQWSLRFC-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP COCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000382469818 447462940 /nfs/dbraw/zinc/46/29/40/447462940.db2.gz GUVXXONQJJKUKT-RHSMWYFYSA-N 2 0 335.448 1.506 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000458719837 447461340 /nfs/dbraw/zinc/46/13/40/447461340.db2.gz DRBRHWAUXNXVOL-INIZCTEOSA-N 2 0 339.528 1.137 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383344751 447465970 /nfs/dbraw/zinc/46/59/70/447465970.db2.gz LWQKUTHYSLAARS-ZWKOTPCHSA-N 2 0 331.460 1.393 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]([NH3+])C(C)C)c2)CC1 ZINC000415502529 447484823 /nfs/dbraw/zinc/48/48/23/447484823.db2.gz TUYQONUTLHVYKF-KRWDZBQOSA-N 2 0 333.480 1.933 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391038723 447509163 /nfs/dbraw/zinc/50/91/63/447509163.db2.gz ZTLGSFUESDTYHW-GJZGRUSLSA-N 2 0 341.402 1.376 20 0 EDADRP C[C@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000450635392 447544618 /nfs/dbraw/zinc/54/46/18/447544618.db2.gz BJWWMWZWDSWSOL-CQSZACIVSA-N 2 0 325.478 1.663 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC000427145996 447552800 /nfs/dbraw/zinc/55/28/00/447552800.db2.gz CKKIQWVNRYDNJY-DLBZAZTESA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427148625 447553292 /nfs/dbraw/zinc/55/32/92/447553292.db2.gz YPBQBGZMNIZZLR-FGTMMUONSA-N 2 0 337.508 1.963 20 0 EDADRP CC[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000459164325 447602536 /nfs/dbraw/zinc/60/25/36/447602536.db2.gz RCWAXFBDLIQEGK-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000405300534 447608608 /nfs/dbraw/zinc/60/86/08/447608608.db2.gz NMNLEEVRQJOVTF-GBESFXJTSA-N 2 0 345.487 1.911 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COCC1(C)C ZINC000459196509 447612215 /nfs/dbraw/zinc/61/22/15/447612215.db2.gz PBCBOLHEFPQKGF-JKSUJKDBSA-N 2 0 340.512 1.469 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000416826550 447692479 /nfs/dbraw/zinc/69/24/79/447692479.db2.gz BWHYQICAMRMKLQ-PKOBYXMFSA-N 2 0 348.491 1.227 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000416849276 447695467 /nfs/dbraw/zinc/69/54/67/447695467.db2.gz XTOKVBPPGVNSMR-KGLIPLIRSA-N 2 0 326.391 1.543 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000416853364 447697055 /nfs/dbraw/zinc/69/70/55/447697055.db2.gz UDRDIYXVNVXIDC-LSDHHAIUSA-N 2 0 340.418 1.456 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000457927304 447673570 /nfs/dbraw/zinc/67/35/70/447673570.db2.gz IGHFCXGVLPSTHE-BRWVUGGUSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416808767 447689159 /nfs/dbraw/zinc/68/91/59/447689159.db2.gz ACJHSZINGYIPJV-KRWDZBQOSA-N 2 0 334.464 1.741 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000416944710 447720307 /nfs/dbraw/zinc/72/03/07/447720307.db2.gz DOCHQZNLKOMFKJ-IKGGRYGDSA-N 2 0 339.528 1.170 20 0 EDADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422711553 447724361 /nfs/dbraw/zinc/72/43/61/447724361.db2.gz NIDWEHKFXRKDKE-MDNKFWRPSA-N 2 0 347.503 1.710 20 0 EDADRP C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422718694 447728149 /nfs/dbraw/zinc/72/81/49/447728149.db2.gz XISOHPBGDVWDHL-HOCLYGCPSA-N 2 0 331.460 1.474 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCOCC1 ZINC000422741234 447735120 /nfs/dbraw/zinc/73/51/20/447735120.db2.gz CYBANDKJFLYUGV-CABCVRRESA-N 2 0 327.494 1.465 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792110 447751349 /nfs/dbraw/zinc/75/13/49/447751349.db2.gz QOWNDCLZBASGMJ-DOPJRALCSA-N 2 0 332.423 1.896 20 0 EDADRP O=C(NCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422813290 447756813 /nfs/dbraw/zinc/75/68/13/447756813.db2.gz ZHFOYNROOXAEGO-HNAYVOBHSA-N 2 0 341.411 1.855 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458323967 447769389 /nfs/dbraw/zinc/76/93/89/447769389.db2.gz GTNRQGXDIAWIQC-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913836 447771362 /nfs/dbraw/zinc/77/13/62/447771362.db2.gz QWAYGSAZERUFLE-JKSUJKDBSA-N 3 0 332.492 1.728 20 0 EDADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430541410 447775397 /nfs/dbraw/zinc/77/53/97/447775397.db2.gz IKKWKXYGMXKQQZ-UHFFFAOYSA-N 2 0 349.475 1.483 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946518 447777839 /nfs/dbraw/zinc/77/78/39/447777839.db2.gz OZPSBVUSWWIWGN-ZFWWWQNUSA-N 2 0 343.493 1.341 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)CC[NH2+]CC1 ZINC000422971139 447784664 /nfs/dbraw/zinc/78/46/64/447784664.db2.gz HZNMAQKZCZLRIH-HNNXBMFYSA-N 3 0 337.508 1.914 20 0 EDADRP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@H]1CCC[NH+]1C ZINC000470801906 447803665 /nfs/dbraw/zinc/80/36/65/447803665.db2.gz HZGLFMURZUAWRU-JZXOWHBKSA-N 2 0 337.487 1.749 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000487684754 447836072 /nfs/dbraw/zinc/83/60/72/447836072.db2.gz CZAWODHPPWPHMF-IAGOWNOFSA-N 2 0 338.496 1.148 20 0 EDADRP CC[N@H+](CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000522852303 447859444 /nfs/dbraw/zinc/85/94/44/447859444.db2.gz SYOGQQHVCIOIJY-IBGZPJMESA-N 2 0 331.460 1.224 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2(C)CCCC2)C1 ZINC000489911842 447878997 /nfs/dbraw/zinc/87/89/97/447878997.db2.gz OTOXEZDPAXNEEX-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP CCOC(=O)N1CCCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000496749556 447880008 /nfs/dbraw/zinc/88/00/08/447880008.db2.gz CBJAVIFNKHSLHG-INIZCTEOSA-N 2 0 335.448 1.902 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000569732499 447880448 /nfs/dbraw/zinc/88/04/48/447880448.db2.gz MHCPGPPYJWLLND-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134038 447880710 /nfs/dbraw/zinc/88/07/10/447880710.db2.gz RLDLEZVFKLOUIB-WMLDXEAASA-N 2 0 329.485 1.584 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCC2 ZINC000569815199 447898190 /nfs/dbraw/zinc/89/81/90/447898190.db2.gz YFTBSEZECWCQPR-OAHLLOKOSA-N 2 0 333.480 1.317 20 0 EDADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CC([NH3+])C1 ZINC000575872786 447919318 /nfs/dbraw/zinc/91/93/18/447919318.db2.gz YZFBAOXUKICHQS-UHFFFAOYSA-N 2 0 348.516 1.595 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1c1ccccc1 ZINC000530629882 447930000 /nfs/dbraw/zinc/93/00/00/447930000.db2.gz MDASEDDEPLLJNT-MSOLQXFVSA-N 2 0 348.491 1.651 20 0 EDADRP C[C@@H]1CN(Cc2cccc(CNC(=O)[C@]3(C)CCC[NH2+]3)c2)CCO1 ZINC000570283161 447977890 /nfs/dbraw/zinc/97/78/90/447977890.db2.gz VAGLUIFSOUZRMN-BEFAXECRSA-N 2 0 331.460 1.666 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000576183015 447993263 /nfs/dbraw/zinc/99/32/63/447993263.db2.gz LERCTBDZLQMGAH-FHWLQOOXSA-N 2 0 341.540 1.512 20 0 EDADRP O=C([C@@H]1CCCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000576228799 448005966 /nfs/dbraw/zinc/00/59/66/448005966.db2.gz CJIVJROBAGFUSK-INIZCTEOSA-N 2 0 345.491 1.725 20 0 EDADRP C[C@H]1C[C@H]([N@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216976 447969883 /nfs/dbraw/zinc/96/98/83/447969883.db2.gz YHIHZENSBCKRBR-LSDHHAIUSA-N 2 0 329.485 1.942 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccnn1C ZINC000491433050 448027724 /nfs/dbraw/zinc/02/77/24/448027724.db2.gz CIIVBFKVMPSDKO-XZVRFQMRSA-N 2 0 333.480 1.308 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2cccnc2N2CCOCC2)CC[N@@H+]1C ZINC000525808057 448029943 /nfs/dbraw/zinc/02/99/43/448029943.db2.gz KQHBLFDKHTVUKH-GOEBONIOSA-N 2 0 347.463 1.200 20 0 EDADRP O=C1O[C@]2(CN1C[N@H+](C[C@H]1CCOC1)C1CC1)C[NH+]1CCC2CC1 ZINC000497284756 448038588 /nfs/dbraw/zinc/03/85/88/448038588.db2.gz IRDBLVXDXQOKNX-KDOFPFPSSA-N 2 0 335.448 1.361 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc12 ZINC000576584173 448091488 /nfs/dbraw/zinc/09/14/88/448091488.db2.gz JJBLDGMUSBWXTO-HNNXBMFYSA-N 2 0 329.448 1.464 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000576623631 448099327 /nfs/dbraw/zinc/09/93/27/448099327.db2.gz RQYPFMUJSOHCDC-UHFFFAOYSA-N 3 0 344.507 1.891 20 0 EDADRP O=C(C[N@@H+]1CC[C@H](c2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000571057083 448103214 /nfs/dbraw/zinc/10/32/14/448103214.db2.gz JBNZLOFZMLLUGH-INIZCTEOSA-N 2 0 328.460 1.614 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000502754596 448105189 /nfs/dbraw/zinc/10/51/89/448105189.db2.gz BYJDWCXPWNHZOU-LUKYLMHMSA-N 2 0 338.496 1.364 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000571153668 448112159 /nfs/dbraw/zinc/11/21/59/448112159.db2.gz OHVWNVXADGSNKU-MJGOQNOKSA-N 2 0 335.492 1.356 20 0 EDADRP COC(=O)c1cccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)n1 ZINC000576784561 448137666 /nfs/dbraw/zinc/13/76/66/448137666.db2.gz LXDOSKHNRNKYBA-UHFFFAOYSA-N 2 0 334.464 1.326 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000571402232 448147083 /nfs/dbraw/zinc/14/70/83/448147083.db2.gz GRGXHSASRNTCQN-XTLJGILYSA-N 2 0 349.519 1.789 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000491903771 448148742 /nfs/dbraw/zinc/14/87/42/448148742.db2.gz AKDWIUJUBLKGSR-WMHRWZGDSA-N 2 0 345.487 1.666 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571547364 448171798 /nfs/dbraw/zinc/17/17/98/448171798.db2.gz JILXWZUBQUVVMF-HNNXBMFYSA-N 2 0 334.468 1.708 20 0 EDADRP Cn1c(NCc2ccnc(N3CCOCC3)c2)nc2cccc(F)c21 ZINC000559806808 448211686 /nfs/dbraw/zinc/21/16/86/448211686.db2.gz MCTGCKRVICDPQC-UHFFFAOYSA-N 2 0 341.390 2.556 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000492172404 448195306 /nfs/dbraw/zinc/19/53/06/448195306.db2.gz VDYPIQJBHDLVKG-DAXSKMNVSA-N 2 0 331.460 1.947 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000514739495 448197738 /nfs/dbraw/zinc/19/77/38/448197738.db2.gz QZXPSVBLMQIXPU-ROUUACIJSA-N 2 0 330.476 1.434 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000571764850 448202240 /nfs/dbraw/zinc/20/22/40/448202240.db2.gz LZIITSHOIFXPLH-MSOLQXFVSA-N 2 0 327.472 1.938 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CNCC[C@H]2C)s1 ZINC000514596241 448168270 /nfs/dbraw/zinc/16/82/70/448168270.db2.gz NRDRBKJLEZHWEM-WYUUTHIRSA-N 2 0 325.482 1.651 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000582415130 448229976 /nfs/dbraw/zinc/22/99/76/448229976.db2.gz ANHKJYXKUZDKJY-GJZGRUSLSA-N 2 0 346.475 1.839 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CCC[NH2+]1 ZINC000514850232 448213704 /nfs/dbraw/zinc/21/37/04/448213704.db2.gz OXCFOBNCEKXUCX-CRAIPNDOSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCO[C@@H]2C(C)(C)C)CC1 ZINC000514856531 448215503 /nfs/dbraw/zinc/21/55/03/448215503.db2.gz MGAUMRGYJZHWEO-ZACQAIPSSA-N 2 0 327.513 1.026 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)CC2 ZINC000571870832 448221992 /nfs/dbraw/zinc/22/19/92/448221992.db2.gz LAVQXFYOICNMLE-HUUCEWRRSA-N 2 0 348.491 1.601 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000577354646 448271877 /nfs/dbraw/zinc/27/18/77/448271877.db2.gz AQCDTEHCZSCYRP-CABCVRRESA-N 2 0 340.512 1.563 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH2+]CC2)[C@H](C)C1 ZINC000572104064 448285450 /nfs/dbraw/zinc/28/54/50/448285450.db2.gz MBFHITSALKWBJQ-NVXWUHKLSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000515347669 448294535 /nfs/dbraw/zinc/29/45/35/448294535.db2.gz GZBJIDIIAMLFSX-IPMKNSEASA-N 2 0 333.476 1.105 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000591281876 448305136 /nfs/dbraw/zinc/30/51/36/448305136.db2.gz QSBLSGOUALLUTE-XJKSGUPXSA-N 2 0 345.443 1.922 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515645446 448338320 /nfs/dbraw/zinc/33/83/20/448338320.db2.gz YTFMUHIUQHFPCS-INIZCTEOSA-N 2 0 331.464 1.413 20 0 EDADRP Cc1ccc([C@H](CN2CCOCC2)NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000572401043 448370237 /nfs/dbraw/zinc/37/02/37/448370237.db2.gz PUCMGWLSCARPJJ-BQFCYCMXSA-N 2 0 348.491 1.793 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000515619272 448335020 /nfs/dbraw/zinc/33/50/20/448335020.db2.gz LUECMZQSWQBKRI-SJLPKXTDSA-N 2 0 346.475 1.359 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NC)CC[NH2+]CC1 ZINC000591573574 448393717 /nfs/dbraw/zinc/39/37/17/448393717.db2.gz NIGLBPHIBRRWEN-KBPBESRZSA-N 2 0 327.469 1.058 20 0 EDADRP CCn1cc(NC(=O)N2CCCN(C3CC[NH+](CC)CC3)CC2)cn1 ZINC000577838015 448397430 /nfs/dbraw/zinc/39/74/30/448397430.db2.gz AYDXHAWKTMQDTQ-UHFFFAOYSA-N 2 0 348.495 1.927 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000516258627 448404481 /nfs/dbraw/zinc/40/44/81/448404481.db2.gz WNPZVLLXYVKPKD-HNNXBMFYSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000566182801 448407274 /nfs/dbraw/zinc/40/72/74/448407274.db2.gz PDUYLZCXCNRGHB-LJQANCHMSA-N 2 0 345.487 1.833 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000533485837 448410284 /nfs/dbraw/zinc/41/02/84/448410284.db2.gz RYNTVTYEYXMJFC-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000566436476 448469786 /nfs/dbraw/zinc/46/97/86/448469786.db2.gz LCTHDWDOGGPPQZ-KRWDZBQOSA-N 2 0 336.524 1.347 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000533810652 448423922 /nfs/dbraw/zinc/42/39/22/448423922.db2.gz DRXUSAATDLLRGK-QGZVFWFLSA-N 2 0 339.443 1.339 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024234 448443359 /nfs/dbraw/zinc/44/33/59/448443359.db2.gz RHQDGNVETHUMRW-MJGOQNOKSA-N 2 0 344.503 1.261 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000566436904 448468714 /nfs/dbraw/zinc/46/87/14/448468714.db2.gz SSVQUXUREQLUNK-UHFFFAOYSA-N 2 0 335.496 1.637 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000591727502 448474052 /nfs/dbraw/zinc/47/40/52/448474052.db2.gz DRIMXWPZJKWUSB-RHSMWYFYSA-N 2 0 348.443 1.287 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000572840026 448477224 /nfs/dbraw/zinc/47/72/24/448477224.db2.gz JDCBTCMGDHNIGZ-RBSFLKMASA-N 2 0 334.468 1.104 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000584340605 448489599 /nfs/dbraw/zinc/48/95/99/448489599.db2.gz PFNDWIJLHVTWLZ-BPQIPLTHSA-N 2 0 330.476 1.773 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000578300018 448508847 /nfs/dbraw/zinc/50/88/47/448508847.db2.gz KQTPOBVGYVRDEU-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCn2ccnc2C1 ZINC000578335287 448520359 /nfs/dbraw/zinc/52/03/59/448520359.db2.gz VGCOUORICQHPHE-GDBMZVCRSA-N 2 0 327.432 1.760 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CCC(CC[NH3+])CC3)ccn2)CC1 ZINC000573014077 448523612 /nfs/dbraw/zinc/52/36/12/448523612.db2.gz XLBRZIASLXDUKY-UHFFFAOYSA-N 2 0 331.464 1.034 20 0 EDADRP CN1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000516930463 448500262 /nfs/dbraw/zinc/50/02/62/448500262.db2.gz PHYAMTWTMWKMAG-GOSISDBHSA-N 2 0 330.476 1.636 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000517246771 448563391 /nfs/dbraw/zinc/56/33/91/448563391.db2.gz IMRVNMYSECBCBR-OAHLLOKOSA-N 2 0 346.475 1.135 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+]3CC[C@H](C)C3)cn2)CC1 ZINC000573218060 448572035 /nfs/dbraw/zinc/57/20/35/448572035.db2.gz YREJCEPJLISAAW-INIZCTEOSA-N 2 0 345.491 1.182 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C)nn1C ZINC000578433345 448543200 /nfs/dbraw/zinc/54/32/00/448543200.db2.gz YRSHDLXIXHEYHV-INIZCTEOSA-N 2 0 335.496 1.146 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000566733493 448546596 /nfs/dbraw/zinc/54/65/96/448546596.db2.gz CLHPRRYAVNMPOF-DZFGPLHGSA-N 2 0 339.483 1.894 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC[NH2+]1 ZINC000566921850 448586122 /nfs/dbraw/zinc/58/61/22/448586122.db2.gz VEFUGWKEQNNTOU-NZSAHSFTSA-N 2 0 345.487 1.434 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585924 448597664 /nfs/dbraw/zinc/59/76/64/448597664.db2.gz XQYARXBBIZKLMU-JENIJYKNSA-N 2 0 345.487 1.422 20 0 EDADRP COc1ccc2oc([C@H](C)[NH2+]CC(=O)N3CC[NH2+]CC3)c(C)c2c1 ZINC000517918548 448628662 /nfs/dbraw/zinc/62/86/62/448628662.db2.gz YYJWVEGPAFLNTR-ZDUSSCGKSA-N 2 0 331.416 1.832 20 0 EDADRP CSc1ccc(F)cc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000578997877 448690077 /nfs/dbraw/zinc/69/00/77/448690077.db2.gz LIMLXBABYNPVBE-OAHLLOKOSA-N 2 0 327.469 1.246 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573687439 448690681 /nfs/dbraw/zinc/69/06/81/448690681.db2.gz HVUQIPGOCLOYKA-SFHVURJKSA-N 2 0 330.476 1.017 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1cccs1 ZINC000579025437 448698637 /nfs/dbraw/zinc/69/86/37/448698637.db2.gz CNOHWULMRADSGC-IUODEOHRSA-N 2 0 348.476 1.111 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(c3cc(N4CCC[C@@H](CO)C4)ncn3)[C@@H]2C1 ZINC000579102854 448713584 /nfs/dbraw/zinc/71/35/84/448713584.db2.gz VTSZVLKIWIAXGT-OWCLPIDISA-N 2 0 331.464 1.216 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000567566296 448713891 /nfs/dbraw/zinc/71/38/91/448713891.db2.gz PVIYTOKAFSUKGH-OAHLLOKOSA-N 2 0 348.495 2.003 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])C3CCC3)CC2)c1 ZINC000579105581 448714983 /nfs/dbraw/zinc/71/49/83/448714983.db2.gz FAGURLXYGPRBRY-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP c1cc2c(cc1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000518959771 448724725 /nfs/dbraw/zinc/72/47/25/448724725.db2.gz JSTRDSBKKMFTGJ-BRWVUGGUSA-N 2 0 332.444 1.747 20 0 EDADRP CC[N@H+](CCSC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000592197402 448734075 /nfs/dbraw/zinc/73/40/75/448734075.db2.gz BQOAUQDHXNUVNA-OAHLLOKOSA-N 2 0 331.526 1.144 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000529288060 448809294 /nfs/dbraw/zinc/80/92/94/448809294.db2.gz RLGVUYSNFADVPT-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000579344470 448771663 /nfs/dbraw/zinc/77/16/63/448771663.db2.gz DOPYGLYEKZGCRS-IRXDYDNUSA-N 2 0 325.497 1.066 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000567912511 448781915 /nfs/dbraw/zinc/78/19/15/448781915.db2.gz LDFSPXRZBDTGFG-IBGZPJMESA-N 2 0 345.487 1.689 20 0 EDADRP C[C@@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195368 448814407 /nfs/dbraw/zinc/81/44/07/448814407.db2.gz UZJXUWCBJBWPRX-WNRNVDISSA-N 2 0 327.513 1.311 20 0 EDADRP CC(C)[C@@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[C@@H](CO)C(C)C ZINC000574130332 448795732 /nfs/dbraw/zinc/79/57/32/448795732.db2.gz NRDKDBPRUSTCJN-MDMSPXHWSA-N 2 0 330.513 1.335 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000574200255 448816214 /nfs/dbraw/zinc/81/62/14/448816214.db2.gz OTNICKXBZMEFLR-SJLPKXTDSA-N 2 0 338.540 1.816 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568214728 448838803 /nfs/dbraw/zinc/83/88/03/448838803.db2.gz BMRQKQWPIMKXCU-RBUKOAKNSA-N 2 0 347.503 1.718 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)C[NH2+]CC4)c21 ZINC000592470760 448850491 /nfs/dbraw/zinc/85/04/91/448850491.db2.gz MQLDAIUAIGDPRU-ZDUSSCGKSA-N 2 0 325.416 1.617 20 0 EDADRP C[N@H+](C[C@H](O)CN[C@@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702442 448856668 /nfs/dbraw/zinc/85/66/68/448856668.db2.gz UYKUNTZVUSGKPP-GDBMZVCRSA-N 2 0 335.423 1.366 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569103473 448962291 /nfs/dbraw/zinc/96/22/91/448962291.db2.gz INKYSFRAOCEDFX-ZMSDIMECSA-N 2 0 346.475 1.009 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000521217159 448963309 /nfs/dbraw/zinc/96/33/09/448963309.db2.gz IJBAEZYRYSLLDZ-ROUUACIJSA-N 2 0 348.491 1.309 20 0 EDADRP Cc1c(Cl)c(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)nc2ccccc12 ZINC000582133059 449020202 /nfs/dbraw/zinc/02/02/02/449020202.db2.gz IBOPPLPMIRLYST-GXTWGEPZSA-N 2 0 344.846 1.940 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956834 449078612 /nfs/dbraw/zinc/07/86/12/449078612.db2.gz ZPQBCXQLRFMNKN-RDJZCZTQSA-N 2 0 341.459 1.752 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1nn(C)c2ccccc12)N1CC[NH+](C)CC1 ZINC000589639821 449043766 /nfs/dbraw/zinc/04/37/66/449043766.db2.gz IKCRMQQZBKHUGJ-LJQANCHMSA-N 2 0 329.492 1.935 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548440701 449044403 /nfs/dbraw/zinc/04/44/03/449044403.db2.gz WKPOKXGEQVYWNS-INIZCTEOSA-N 2 0 333.480 1.050 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@H](CCC[NH3+])c2ccccc2)nn1 ZINC000582241035 449046117 /nfs/dbraw/zinc/04/61/17/449046117.db2.gz YMJBQMMFYHXHNZ-OAHLLOKOSA-N 2 0 330.436 1.227 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCN(c4cc[nH+]cc4)CC3)c21 ZINC000592961898 449084478 /nfs/dbraw/zinc/08/44/78/449084478.db2.gz UUYMJNIFRWDHFR-AWEZNQCLSA-N 2 0 340.431 1.077 20 0 EDADRP CC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000569600726 449055283 /nfs/dbraw/zinc/05/52/83/449055283.db2.gz JSDDULIEIDDPIT-OAHLLOKOSA-N 2 0 334.464 1.013 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000522138486 449055219 /nfs/dbraw/zinc/05/52/19/449055219.db2.gz QFTCIQUGUIHCGA-SFHVURJKSA-N 2 0 327.472 1.987 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000575377523 449087170 /nfs/dbraw/zinc/08/71/70/449087170.db2.gz UXFZKZBTBIWZTK-IBGZPJMESA-N 2 0 340.471 1.447 20 0 EDADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239738 449090494 /nfs/dbraw/zinc/09/04/94/449090494.db2.gz UPYQGSVDMYXCJT-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)CC2)C1 ZINC000604641098 449267439 /nfs/dbraw/zinc/26/74/39/449267439.db2.gz CDISHYKQKWRDAQ-OKZBNKHCSA-N 2 0 349.523 1.035 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)n1C ZINC000602005217 449271303 /nfs/dbraw/zinc/27/13/03/449271303.db2.gz OORVYCFGMHMJDQ-KRWDZBQOSA-N 2 0 336.480 1.173 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945825 449271947 /nfs/dbraw/zinc/27/19/47/449271947.db2.gz OOJICILKVAUYLT-IAGOWNOFSA-N 2 0 347.459 1.042 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602117256 449358386 /nfs/dbraw/zinc/35/83/86/449358386.db2.gz FUHHDYFXOKBBML-MOPGFXCFSA-N 2 0 348.535 1.630 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614069569 449443928 /nfs/dbraw/zinc/44/39/28/449443928.db2.gz ZLCKDYVQUOAVQW-GOSISDBHSA-N 2 0 327.513 1.804 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000611848931 449444581 /nfs/dbraw/zinc/44/45/81/449444581.db2.gz IUIGQLRFDSJNCH-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2Cc3ccccc3NC2=O)CC[NH2+]CC1 ZINC000600707881 449507957 /nfs/dbraw/zinc/50/79/57/449507957.db2.gz BWEOOJHQYVILPO-CZUORRHYSA-N 2 0 345.443 1.461 20 0 EDADRP COC(=O)CCCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000600711470 449511081 /nfs/dbraw/zinc/51/10/81/449511081.db2.gz UMLUINOYSMJADE-HNNXBMFYSA-N 2 0 334.464 1.708 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000612186973 449600133 /nfs/dbraw/zinc/60/01/33/449600133.db2.gz SRHJNWSBSQPOBP-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(C)(C)n3cncn3)C2)CC1 ZINC000602480543 449624307 /nfs/dbraw/zinc/62/43/07/449624307.db2.gz CRFUMZTUYYYPFN-IAGOWNOFSA-N 2 0 334.512 1.502 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CC(C)(C)N3CCOCC3)C2)CC1 ZINC000602486549 449627854 /nfs/dbraw/zinc/62/78/54/449627854.db2.gz UHDDTSVUXCLWSM-GOSISDBHSA-N 2 0 338.540 1.198 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)c21 ZINC000602551239 449669618 /nfs/dbraw/zinc/66/96/18/449669618.db2.gz OMZJZQJGKCKDCG-LBPRGKRZSA-N 2 0 341.415 1.454 20 0 EDADRP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000598961364 449671151 /nfs/dbraw/zinc/67/11/51/449671151.db2.gz SHWOBYRJDIFSIS-ZDUSSCGKSA-N 2 0 336.480 1.534 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[NH+](C)C ZINC000617700449 449744420 /nfs/dbraw/zinc/74/44/20/449744420.db2.gz DZPINNLOHRVTIO-ZWKOTPCHSA-N 2 0 333.476 1.456 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000594944728 449815951 /nfs/dbraw/zinc/81/59/51/449815951.db2.gz VNJBESSTJZEFSG-UTRMSSBJSA-N 2 0 346.471 1.931 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000615085433 449943531 /nfs/dbraw/zinc/94/35/31/449943531.db2.gz CIXPLOQXOJGKEL-OAHLLOKOSA-N 2 0 346.475 1.469 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@H]2CNc3ccnn3C2)cc1 ZINC000595148540 449902439 /nfs/dbraw/zinc/90/24/39/449902439.db2.gz YJFBEFDDACSQCZ-KRWDZBQOSA-N 2 0 343.475 1.698 20 0 EDADRP CN(CC(C)(C)CN1CCOCC1)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000612848224 449907309 /nfs/dbraw/zinc/90/73/09/449907309.db2.gz LCHZKEGHGZSPPB-HUUCEWRRSA-N 2 0 334.464 1.340 20 0 EDADRP C[C@@]1(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000612864545 449916665 /nfs/dbraw/zinc/91/66/65/449916665.db2.gz DROYHTLOCUBGFV-LJQANCHMSA-N 2 0 330.476 1.745 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273078 450038704 /nfs/dbraw/zinc/03/87/04/450038704.db2.gz ORCSDFUBKZNNNY-SFHVURJKSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@H](C(=O)N(CCN1CCOCC1)CC1CC1)[NH+]1CCCCCC1 ZINC000619889931 450357526 /nfs/dbraw/zinc/35/75/26/450357526.db2.gz LQHJSZGAEVDKLP-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000619899846 450366882 /nfs/dbraw/zinc/36/68/82/450366882.db2.gz PULPCEDRELLCHJ-QGZVFWFLSA-N 2 0 345.491 1.194 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000623404198 450515869 /nfs/dbraw/zinc/51/58/69/450515869.db2.gz UHYTYAXFTAETGV-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000620486685 450503673 /nfs/dbraw/zinc/50/36/73/450503673.db2.gz LLQUFJWMJDMVMM-MSOLQXFVSA-N 2 0 337.508 1.555 20 0 EDADRP CC1(C)CCC[C@@](CO)([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625835968 450518366 /nfs/dbraw/zinc/51/83/66/450518366.db2.gz OTYIIYYIWAIJJB-LJQANCHMSA-N 2 0 337.508 1.650 20 0 EDADRP CN1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000620825268 450549385 /nfs/dbraw/zinc/54/93/85/450549385.db2.gz CFAMXGROKHNPGG-GOSISDBHSA-N 2 0 330.476 1.856 20 0 EDADRP CC[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](C)[NH2+]1 ZINC000620898183 450557537 /nfs/dbraw/zinc/55/75/37/450557537.db2.gz QWOQQDBAXZQKIU-IMJJTQAJSA-N 2 0 325.522 1.803 20 0 EDADRP CC[N@H+](CCC(=O)N1CCN(C)CC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062846 450565684 /nfs/dbraw/zinc/56/56/84/450565684.db2.gz IWIVZDOPVFNABH-UHFFFAOYSA-N 2 0 346.519 1.734 20 0 EDADRP CNS(=O)(=O)CCC[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000631708430 450725222 /nfs/dbraw/zinc/72/52/22/450725222.db2.gz DVNASPPAGJAGJO-HOCLYGCPSA-N 2 0 331.526 1.558 20 0 EDADRP C[NH+](C)CCn1c2cc(NC[C@H](O)C[NH+]3CCCC3)ccc2oc1=O ZINC000629582530 450749016 /nfs/dbraw/zinc/74/90/16/450749016.db2.gz TZRLNSZCJFZXQC-HNNXBMFYSA-N 2 0 348.447 1.025 20 0 EDADRP O=C(CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000629582551 450749109 /nfs/dbraw/zinc/74/91/09/450749109.db2.gz UKVWRFSWSLCOIJ-NVXWUHKLSA-N 2 0 337.851 1.270 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000629652658 450772823 /nfs/dbraw/zinc/77/28/23/450772823.db2.gz BDZRKJUIPBXINT-UHFFFAOYSA-N 3 0 348.535 1.885 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000629591347 450752492 /nfs/dbraw/zinc/75/24/92/450752492.db2.gz FPSYQEGVQWAFBC-HNNXBMFYSA-N 2 0 336.484 1.061 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266690 450771391 /nfs/dbraw/zinc/77/13/91/450771391.db2.gz SWJFNVXKEFDOGE-UHOSZYNNSA-N 2 0 332.492 1.602 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827113 450799684 /nfs/dbraw/zinc/79/96/84/450799684.db2.gz FRZYXNKYZYDXHY-JFIYKMOQSA-N 2 0 345.487 1.940 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631908708 450867428 /nfs/dbraw/zinc/86/74/28/450867428.db2.gz XTEUTKIQJGNDMH-CVEARBPZSA-N 2 0 329.510 1.266 20 0 EDADRP O=C(N1CCC[N@H+](C[C@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635443925 450945700 /nfs/dbraw/zinc/94/57/00/450945700.db2.gz MIARQDQWUQBVPU-QGZVFWFLSA-N 2 0 335.492 1.576 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626851891 450958621 /nfs/dbraw/zinc/95/86/21/450958621.db2.gz XRRKLXMZYWEJCZ-INIZCTEOSA-N 2 0 344.459 1.396 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000626864229 450967639 /nfs/dbraw/zinc/96/76/39/450967639.db2.gz SYFDOLBUNBXDBM-DLBZAZTESA-N 2 0 346.475 1.724 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000635479207 450977905 /nfs/dbraw/zinc/97/79/05/450977905.db2.gz KYZGXWKKCWXVSC-UHFFFAOYSA-N 2 0 329.404 1.564 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000626916568 451002140 /nfs/dbraw/zinc/00/21/40/451002140.db2.gz KUZUBEHHKJVJAV-KRWDZBQOSA-N 2 0 334.464 1.440 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000626926024 451008461 /nfs/dbraw/zinc/00/84/61/451008461.db2.gz VHNXLLBEPGRFIH-UHFFFAOYSA-N 2 0 348.491 1.836 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccsc1 ZINC000626934094 451016492 /nfs/dbraw/zinc/01/64/92/451016492.db2.gz BFCPGCVHDAAHAT-OIISXLGYSA-N 2 0 336.505 1.992 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626991212 451056957 /nfs/dbraw/zinc/05/69/57/451056957.db2.gz CQVDZRHKTSFMPT-OLZOCXBDSA-N 2 0 338.418 1.887 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000626991827 451057071 /nfs/dbraw/zinc/05/70/71/451057071.db2.gz KUZCEIZVXQDGGN-OAHLLOKOSA-N 2 0 342.871 1.559 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000626993648 451059933 /nfs/dbraw/zinc/05/99/33/451059933.db2.gz JXRPGYZVWYPTTI-QGZVFWFLSA-N 2 0 336.455 1.897 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000622136823 451061525 /nfs/dbraw/zinc/06/15/25/451061525.db2.gz VAYPAFICCBYIFG-HZPDHXFCSA-N 2 0 325.497 1.769 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)C[NH2+]1 ZINC000627039547 451096696 /nfs/dbraw/zinc/09/66/96/451096696.db2.gz ZIMUHRZWVIBIGJ-ZBFHGGJFSA-N 2 0 349.479 1.352 20 0 EDADRP CN(CCOCC[NH3+])C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626978471 451046967 /nfs/dbraw/zinc/04/69/67/451046967.db2.gz FGRSCLQALZULBR-SFHVURJKSA-N 2 0 348.491 1.830 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@H](C)C1 ZINC000626981186 451049986 /nfs/dbraw/zinc/04/99/86/451049986.db2.gz YNYOHLBEOHNIMU-VQHPVUNQSA-N 2 0 340.512 1.563 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000624997482 451101228 /nfs/dbraw/zinc/10/12/28/451101228.db2.gz XRVPEQOSQAROKD-ZWKOTPCHSA-N 2 0 341.459 1.729 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627089919 451119215 /nfs/dbraw/zinc/11/92/15/451119215.db2.gz MWKZVYJNIBIAET-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000627114117 451130254 /nfs/dbraw/zinc/13/02/54/451130254.db2.gz XXZZIFLGFLVUIX-PBXWNFIWSA-N 2 0 338.402 1.460 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627155059 451152007 /nfs/dbraw/zinc/15/20/07/451152007.db2.gz UONOCHKARYOJQT-UHFFFAOYSA-N 2 0 326.485 1.256 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000635694844 451177647 /nfs/dbraw/zinc/17/76/47/451177647.db2.gz OFTLBUKXRWYKMC-ROUUACIJSA-N 2 0 335.492 1.717 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNS(=O)(=O)CCC[NH+](C)C)c1ccco1 ZINC000632328468 451200390 /nfs/dbraw/zinc/20/03/90/451200390.db2.gz BMIDNFMDSLPFKO-UONOGXRCSA-N 2 0 331.482 1.580 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000638082296 451246172 /nfs/dbraw/zinc/24/61/72/451246172.db2.gz GUULBUPPUSMGGJ-VKJFTORMSA-N 2 0 333.476 1.802 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000635800240 451249785 /nfs/dbraw/zinc/24/97/85/451249785.db2.gz RLAISWFEGWCKRW-SCTDSRPQSA-N 2 0 348.535 1.678 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000638087381 451251622 /nfs/dbraw/zinc/25/16/22/451251622.db2.gz RVUGMWQTVYAZQO-CRAIPNDOSA-N 2 0 348.447 1.282 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638098649 451263423 /nfs/dbraw/zinc/26/34/23/451263423.db2.gz CFNVAPYBVOFYNR-KXBFYZLASA-N 2 0 331.460 1.707 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111255 451279637 /nfs/dbraw/zinc/27/96/37/451279637.db2.gz MSCNNZTYYJXMMI-RBUKOAKNSA-N 2 0 346.519 1.540 20 0 EDADRP C[C@H](C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635894078 451337149 /nfs/dbraw/zinc/33/71/49/451337149.db2.gz FZSYUUBOBPIOCW-GDBMZVCRSA-N 2 0 327.513 1.656 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638165698 451332001 /nfs/dbraw/zinc/33/20/01/451332001.db2.gz RYELVGXLSQNTRR-XEIOYGOASA-N 2 0 331.460 1.505 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195599 451350668 /nfs/dbraw/zinc/35/06/68/451350668.db2.gz HWFGVNNNPIPZFC-IFXJQAMLSA-N 2 0 339.439 1.839 20 0 EDADRP C[C@H]1C[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000638211429 451357049 /nfs/dbraw/zinc/35/70/49/451357049.db2.gz RIPKUQGHXHQYAP-FUHWJXTLSA-N 2 0 344.503 1.627 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638240690 451376620 /nfs/dbraw/zinc/37/66/20/451376620.db2.gz RIUWZNQQRRXSBK-ZYSHUDEJSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630750009 451383135 /nfs/dbraw/zinc/38/31/35/451383135.db2.gz MGVBBKPQZLLGIQ-IAGOWNOFSA-N 2 0 349.523 1.933 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638178255 451340702 /nfs/dbraw/zinc/34/07/02/451340702.db2.gz LQILNNYKHSVIGO-SJLPKXTDSA-N 2 0 344.503 1.484 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CC(C)(C)N1CCOCC1 ZINC000638180755 451341933 /nfs/dbraw/zinc/34/19/33/451341933.db2.gz KMZYLWOQPMCCBT-IXDOHACOSA-N 2 0 325.497 1.281 20 0 EDADRP CO[C@@]1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC000638272681 451392137 /nfs/dbraw/zinc/39/21/37/451392137.db2.gz AOARHHUDNJTFTM-LJQANCHMSA-N 2 0 334.460 1.538 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638289327 451406810 /nfs/dbraw/zinc/40/68/10/451406810.db2.gz NTDHXMDGDFRMLW-SJLPKXTDSA-N 2 0 332.448 1.181 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)CC1(O)CCOCC1 ZINC000634639705 451431433 /nfs/dbraw/zinc/43/14/33/451431433.db2.gz NXTVKMFJTYVSEA-IBGZPJMESA-N 2 0 348.487 1.665 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350086 451451615 /nfs/dbraw/zinc/45/16/15/451451615.db2.gz COJIOKSBUSVNFW-UCLAIMLFSA-N 2 0 339.439 1.836 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638380831 451475685 /nfs/dbraw/zinc/47/56/85/451475685.db2.gz FLWUDXDFCHLSMA-UHFFFAOYSA-N 3 0 349.519 1.952 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000638383682 451476707 /nfs/dbraw/zinc/47/67/07/451476707.db2.gz JAGUYJKXXVBMOW-ONIAQPFYSA-N 2 0 347.459 1.440 20 0 EDADRP C[NH+]1CCC(CC[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634702622 451477656 /nfs/dbraw/zinc/47/76/56/451477656.db2.gz JDGBMUJAZBKSDV-HXUWFJFHSA-N 2 0 331.504 1.945 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000638407555 451495321 /nfs/dbraw/zinc/49/53/21/451495321.db2.gz BICLMGKTWNFXMY-HKUYNNGSSA-N 2 0 346.475 1.177 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634709776 451488355 /nfs/dbraw/zinc/48/83/55/451488355.db2.gz OAMILUNWFOJLNE-IAGOWNOFSA-N 2 0 328.497 1.237 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000638400150 451489916 /nfs/dbraw/zinc/48/99/16/451489916.db2.gz VWAYCCCXUHDRRA-WMZOPIPTSA-N 2 0 347.459 1.408 20 0 EDADRP CN(C[C@@H](O)C[NH2+]CCC1(O)CCN(c2ccccc2)CC1)C1CC1 ZINC000634725828 451506779 /nfs/dbraw/zinc/50/67/79/451506779.db2.gz DXACRINLJUCJRQ-IBGZPJMESA-N 2 0 347.503 1.453 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CCC[N@H+](Cc3cccnc3)C1)C2 ZINC000634745361 451522429 /nfs/dbraw/zinc/52/24/29/451522429.db2.gz FHKHQQMLOMEGRG-RLLQIKCJSA-N 2 0 342.487 1.752 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)CC(C)(C)C ZINC000636171979 451562045 /nfs/dbraw/zinc/56/20/45/451562045.db2.gz RQCKRRUFTPWASV-GOSISDBHSA-N 2 0 347.503 1.847 20 0 EDADRP COCCc1ncc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000631065369 451564267 /nfs/dbraw/zinc/56/42/67/451564267.db2.gz YAHWZMFRAGKCSN-AWEZNQCLSA-N 2 0 326.510 1.305 20 0 EDADRP COc1ccccc1N1CCC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000631067236 451565382 /nfs/dbraw/zinc/56/53/82/451565382.db2.gz IVZSUXNFAGXXKG-KRWDZBQOSA-N 2 0 346.519 1.890 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[C@@H]1C(F)(F)F ZINC000638561834 451577753 /nfs/dbraw/zinc/57/77/53/451577753.db2.gz XEPXCLNGYJUKGQ-KBPBESRZSA-N 2 0 327.350 1.889 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638603389 451600563 /nfs/dbraw/zinc/60/05/63/451600563.db2.gz SAFQFCWBNWWDQR-OAHLLOKOSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631155744 451613695 /nfs/dbraw/zinc/61/36/95/451613695.db2.gz VPXDGYYYUIVACN-UHFFFAOYSA-N 2 0 333.524 1.805 20 0 EDADRP COc1ccc(CN2CC[C@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000636255331 451624964 /nfs/dbraw/zinc/62/49/64/451624964.db2.gz HBSFXKYQTCPOHK-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000638644824 451628851 /nfs/dbraw/zinc/62/88/51/451628851.db2.gz SKGCULPZKXIKLK-MAUKXSAKSA-N 2 0 330.476 1.304 20 0 EDADRP CCn1ncnc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000638720022 451664985 /nfs/dbraw/zinc/66/49/85/451664985.db2.gz PZSPTIOEMNGREJ-UHFFFAOYSA-N 2 0 336.484 1.014 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000632981861 451677670 /nfs/dbraw/zinc/67/76/70/451677670.db2.gz FMWJQZBLUVASAU-SFHVURJKSA-N 2 0 348.491 1.447 20 0 EDADRP [NH3+][C@@H](CCNC(=O)c1cc(C2CC[NH2+]CC2)no1)Cc1ccccc1 ZINC000638879569 451717669 /nfs/dbraw/zinc/71/76/69/451717669.db2.gz HTGLFPGGPBCCDA-INIZCTEOSA-N 2 0 342.443 1.832 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638784776 451690772 /nfs/dbraw/zinc/69/07/72/451690772.db2.gz WNIRBVSQWOHWOR-HKUYNNGSSA-N 2 0 331.460 1.478 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638786257 451692408 /nfs/dbraw/zinc/69/24/08/451692408.db2.gz ROGZUKYPAAJHHW-MJGOQNOKSA-N 2 0 343.471 1.491 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000638952414 451742226 /nfs/dbraw/zinc/74/22/26/451742226.db2.gz PHKAJUPKGQYMTH-AWEZNQCLSA-N 2 0 334.464 1.304 20 0 EDADRP CO[C@]1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCOC1 ZINC000638955696 451742490 /nfs/dbraw/zinc/74/24/90/451742490.db2.gz GNLWIUJJLVMNMM-SFHVURJKSA-N 2 0 326.481 1.616 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638979333 451744791 /nfs/dbraw/zinc/74/47/91/451744791.db2.gz AYEGZSJCARTMEK-QGZVFWFLSA-N 2 0 333.476 1.898 20 0 EDADRP CC(C)c1nccn1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983391 451746153 /nfs/dbraw/zinc/74/61/53/451746153.db2.gz GKGOHRXBNRANJV-UHFFFAOYSA-N 2 0 328.420 1.450 20 0 EDADRP CCc1nccn1[C@H](C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985366 451746291 /nfs/dbraw/zinc/74/62/91/451746291.db2.gz FMUJMLXNWATADZ-CQSZACIVSA-N 2 0 342.447 1.840 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639025903 451754126 /nfs/dbraw/zinc/75/41/26/451754126.db2.gz VFSIMMYEZZJXMF-DLBZAZTESA-N 2 0 335.492 1.622 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@]12CCCO2 ZINC000639135304 451774274 /nfs/dbraw/zinc/77/42/74/451774274.db2.gz CKWHRXAVIOILKT-JFIYKMOQSA-N 2 0 325.497 1.329 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000644524124 451839575 /nfs/dbraw/zinc/83/95/75/451839575.db2.gz USWGDVVOTSUHQD-RCCFBDPRSA-N 2 0 334.460 1.789 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000639254264 451798801 /nfs/dbraw/zinc/79/88/01/451798801.db2.gz PKHKLJHFKRQXOZ-UHFFFAOYSA-N 2 0 342.434 1.749 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)[C@]12CCCO2 ZINC000639306900 451819024 /nfs/dbraw/zinc/81/90/24/451819024.db2.gz JZXCZFMRKDQOQA-WNRNVDISSA-N 2 0 327.513 1.575 20 0 EDADRP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639316513 451824162 /nfs/dbraw/zinc/82/41/62/451824162.db2.gz JNIGXCOWJYILNF-AEFFLSMTSA-N 2 0 334.508 1.956 20 0 EDADRP CCCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000646767292 451829921 /nfs/dbraw/zinc/82/99/21/451829921.db2.gz UJHJBSKJPUKSJC-QGZVFWFLSA-N 2 0 346.475 1.629 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000644562126 451863000 /nfs/dbraw/zinc/86/30/00/451863000.db2.gz XGGLXZDYUXYZIQ-AZUAARDMSA-N 2 0 347.503 1.322 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCn2ccc(C(F)(F)F)n2)CC1 ZINC000639398929 451864039 /nfs/dbraw/zinc/86/40/39/451864039.db2.gz SRHFIANRYDZJLD-UHFFFAOYSA-N 2 0 334.386 1.727 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CCO1 ZINC000646846096 451883149 /nfs/dbraw/zinc/88/31/49/451883149.db2.gz NXPXKKSRKCXGSE-BLLLJJGKSA-N 2 0 331.416 1.683 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)COC1(C)C[NH2+]C1)[NH+]1CCCC1 ZINC000649278177 451950041 /nfs/dbraw/zinc/95/00/41/451950041.db2.gz RDIVVJKKWCJKAI-INIZCTEOSA-N 2 0 347.459 1.327 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649299218 451977248 /nfs/dbraw/zinc/97/72/48/451977248.db2.gz AKUZKKFZGAQPES-MJGOQNOKSA-N 2 0 331.460 1.536 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649303654 451979470 /nfs/dbraw/zinc/97/94/70/451979470.db2.gz PMHDDLRHSAFDHF-CQSZACIVSA-N 2 0 334.468 1.007 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649305322 451982147 /nfs/dbraw/zinc/98/21/47/451982147.db2.gz MMJUIJBWQZSVFS-ROUUACIJSA-N 2 0 331.460 1.393 20 0 EDADRP COCCC1(C(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000649306048 451983830 /nfs/dbraw/zinc/98/38/30/451983830.db2.gz WTSWZMWTQHRGPJ-UHFFFAOYSA-N 2 0 333.476 1.641 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000642909891 451986683 /nfs/dbraw/zinc/98/66/83/451986683.db2.gz WPBYPHPGWFHYHU-ZMSDIMECSA-N 2 0 348.491 1.332 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649309781 451987485 /nfs/dbraw/zinc/98/74/85/451987485.db2.gz FPNOPVCBZBTPEF-GOSISDBHSA-N 2 0 333.476 1.593 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649310481 451988149 /nfs/dbraw/zinc/98/81/49/451988149.db2.gz MJKSCWOKIWDPOJ-CVEARBPZSA-N 2 0 338.496 1.097 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000649312075 451990044 /nfs/dbraw/zinc/99/00/44/451990044.db2.gz MFTFXKUVBSYBES-GOSISDBHSA-N 2 0 332.492 1.920 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000649312545 451990724 /nfs/dbraw/zinc/99/07/24/451990724.db2.gz YMQXLBKKVCTSKP-MRLCAUJQSA-N 2 0 336.524 1.521 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@](C)(O)CC[NH+](C)C)CC1 ZINC000642948529 451997124 /nfs/dbraw/zinc/99/71/24/451997124.db2.gz MAKKGGAUKIDRQR-IBGZPJMESA-N 2 0 348.491 1.425 20 0 EDADRP COc1cc(OC)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1F ZINC000651676888 452007220 /nfs/dbraw/zinc/00/72/20/452007220.db2.gz QTXTUYVCQGQNBD-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@]2(N)CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331706 452013269 /nfs/dbraw/zinc/01/32/69/452013269.db2.gz PFJVYVHJKMJRRW-OXQOHEQNSA-N 2 0 344.503 1.799 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336687 452018159 /nfs/dbraw/zinc/01/81/59/452018159.db2.gz MPMZBYXFTGJDOJ-NXHRZFHOSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@H](C[NH2+]Cc1cnnn1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000651705228 452024416 /nfs/dbraw/zinc/02/44/16/452024416.db2.gz MCFSBWLLDZACEU-MRXNPFEDSA-N 2 0 328.464 1.240 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000649374314 452049250 /nfs/dbraw/zinc/04/92/50/452049250.db2.gz JZQRVFQUDROAFK-KRWDZBQOSA-N 2 0 345.491 1.324 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000639712861 452052867 /nfs/dbraw/zinc/05/28/67/452052867.db2.gz CYTPTTFMMJCQMO-OAHLLOKOSA-N 2 0 349.479 1.093 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637801098 452090497 /nfs/dbraw/zinc/09/04/97/452090497.db2.gz IBXVWDSMFUXGIP-ZHALLVOQSA-N 2 0 329.444 1.085 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000637806726 452092282 /nfs/dbraw/zinc/09/22/82/452092282.db2.gz MSKDIFKSHXBYAH-KRWDZBQOSA-N 2 0 328.416 1.386 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637804688 452092878 /nfs/dbraw/zinc/09/28/78/452092878.db2.gz SABUIZOOJXWYCT-SFHVURJKSA-N 2 0 339.439 1.700 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757575 452096339 /nfs/dbraw/zinc/09/63/39/452096339.db2.gz IIKWGZYWILIJHZ-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000647181201 452110287 /nfs/dbraw/zinc/11/02/87/452110287.db2.gz PGYLBSFISGTTLO-AWEZNQCLSA-N 2 0 331.464 1.714 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637847793 452112843 /nfs/dbraw/zinc/11/28/43/452112843.db2.gz DFTRAUMHQDPBIC-NSHGMRRFSA-N 2 0 345.487 1.625 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCCO1 ZINC000653878432 452158434 /nfs/dbraw/zinc/15/84/34/452158434.db2.gz ZWHBFTDCRMYNRF-IAGOWNOFSA-N 2 0 325.497 1.913 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CS(=O)(=O)c2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314509 452176354 /nfs/dbraw/zinc/17/63/54/452176354.db2.gz AOHUSRPOISFFIW-ZFWWWQNUSA-N 2 0 338.473 1.541 20 0 EDADRP C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C[NH+]1CCCC1 ZINC000645190093 452203308 /nfs/dbraw/zinc/20/33/08/452203308.db2.gz UCSGYQKKYVDLSH-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1cnn(CC[NH+](C)C)c1 ZINC000651991289 452208909 /nfs/dbraw/zinc/20/89/09/452208909.db2.gz IYFOBGTUQMQLRX-UHFFFAOYSA-N 2 0 325.420 1.946 20 0 EDADRP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493415 452236208 /nfs/dbraw/zinc/23/62/08/452236208.db2.gz MZBPANHCPFEOJK-UHFFFAOYSA-N 2 0 327.476 1.826 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659442646 452291259 /nfs/dbraw/zinc/29/12/59/452291259.db2.gz RBQULSYHISTBGJ-CKXIEVRYSA-N 2 0 328.460 1.873 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C(C)(C)CC)CC2)C1(C)C ZINC000655494614 452293753 /nfs/dbraw/zinc/29/37/53/452293753.db2.gz LPJVWRQCOZQUJW-KSSFIOAISA-N 2 0 325.497 1.852 20 0 EDADRP CC(C)([NH3+])CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000641822261 452303663 /nfs/dbraw/zinc/30/36/63/452303663.db2.gz QOMRFMJVNCMDSC-UHFFFAOYSA-N 2 0 346.475 1.855 20 0 EDADRP CCN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663579229 452303924 /nfs/dbraw/zinc/30/39/24/452303924.db2.gz BNTVEZDALDCXEB-GOSISDBHSA-N 2 0 345.491 1.782 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)[NH+](C)C)cc1 ZINC000638048941 452316786 /nfs/dbraw/zinc/31/67/86/452316786.db2.gz ARXVZWBQZDAJIS-IEBWSBKVSA-N 2 0 333.476 1.723 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2ccccc2C[NH+](C)C)c1 ZINC000638053061 452329396 /nfs/dbraw/zinc/32/93/96/452329396.db2.gz GAQKGSKALSCHBQ-LJQANCHMSA-N 2 0 341.455 1.943 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)CN1CC[NH2+]CC1 ZINC000638056684 452341296 /nfs/dbraw/zinc/34/12/96/452341296.db2.gz KOKPMNCXUKOCHZ-UHFFFAOYSA-N 2 0 338.521 1.324 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000659482802 452341380 /nfs/dbraw/zinc/34/13/80/452341380.db2.gz TZRJZUSQFNJOAP-FCGDIQPGSA-N 2 0 342.487 1.948 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)CCC(F)(F)F ZINC000659485270 452345481 /nfs/dbraw/zinc/34/54/81/452345481.db2.gz NESVXMUPKZASQS-GHMZBOCLSA-N 2 0 328.354 1.341 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638062289 452356031 /nfs/dbraw/zinc/35/60/31/452356031.db2.gz DUSAVQLQDINUSZ-ICSRJNTNSA-N 2 0 345.487 1.843 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCSC1 ZINC000652163243 452356586 /nfs/dbraw/zinc/35/65/86/452356586.db2.gz FPGKYVJIWITIQN-BPUTZDHNSA-N 2 0 326.510 1.194 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638064432 452363949 /nfs/dbraw/zinc/36/39/49/452363949.db2.gz UBFOPVUERSXNGD-IBGZPJMESA-N 2 0 331.460 1.454 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000638067927 452369787 /nfs/dbraw/zinc/36/97/87/452369787.db2.gz WBMPMKAXEPWIQT-IBGZPJMESA-N 2 0 345.487 1.899 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000659516276 452379696 /nfs/dbraw/zinc/37/96/96/452379696.db2.gz HPOOZJPZSRASHU-SZMVWBNQSA-N 2 0 346.475 1.582 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659523805 452387100 /nfs/dbraw/zinc/38/71/00/452387100.db2.gz WQAMOSAFJCRDJR-BRWVUGGUSA-N 2 0 336.455 1.944 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659537526 452395372 /nfs/dbraw/zinc/39/53/72/452395372.db2.gz SGRODTHHUSBTRP-WMLDXEAASA-N 2 0 338.496 1.175 20 0 EDADRP CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000663656117 452398207 /nfs/dbraw/zinc/39/82/07/452398207.db2.gz SLNANKLRAOZTPI-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659542247 452401776 /nfs/dbraw/zinc/40/17/76/452401776.db2.gz ZIEKKYJDNXANCP-QBPKDAKJSA-N 2 0 334.439 1.840 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000659543244 452401808 /nfs/dbraw/zinc/40/18/08/452401808.db2.gz FWVIUBDHZFGNAN-ULQDDVLXSA-N 2 0 340.512 1.504 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000640061466 452401853 /nfs/dbraw/zinc/40/18/53/452401853.db2.gz FPBUFQWXZCMXKJ-LBPRGKRZSA-N 2 0 346.431 1.785 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652209511 452404314 /nfs/dbraw/zinc/40/43/14/452404314.db2.gz NEKNGQRGVSSMKD-KKUMJFAQSA-N 2 0 326.485 1.432 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659552548 452409217 /nfs/dbraw/zinc/40/92/17/452409217.db2.gz HRGKIDVWFPQVBW-NORZTCDRSA-N 2 0 340.418 1.837 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589615 452446011 /nfs/dbraw/zinc/44/60/11/452446011.db2.gz VFUHLDQQUFISGF-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589598 452446478 /nfs/dbraw/zinc/44/64/78/452446478.db2.gz USBPCTUYTKJACD-WRFANHODSA-N 2 0 334.439 1.650 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000659589613 452446640 /nfs/dbraw/zinc/44/66/40/452446640.db2.gz UXSVTUJFKKIZMR-OWSLCNJRSA-N 2 0 346.450 1.807 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645484293 452455197 /nfs/dbraw/zinc/45/51/97/452455197.db2.gz DBIRJKZAZDBRBU-KRWDZBQOSA-N 2 0 330.476 1.761 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)[C@H](C)C[NH3+])cc1F ZINC000659598026 452455401 /nfs/dbraw/zinc/45/54/01/452455401.db2.gz LQCYEYLBZJSYEV-ZLDLUXBVSA-N 2 0 338.427 1.268 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@@H]4CCOC4)CC3)C[C@@H]21 ZINC000659608315 452464157 /nfs/dbraw/zinc/46/41/57/452464157.db2.gz MQHXTPBMRRWYOI-MXASKKJJSA-N 2 0 336.480 1.009 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000659623339 452480058 /nfs/dbraw/zinc/48/00/58/452480058.db2.gz DNUOHKCZMWVTHA-MRXNPFEDSA-N 2 0 327.517 1.027 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000663762530 452490118 /nfs/dbraw/zinc/49/01/18/452490118.db2.gz DAPRPBAEICGDKB-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP Cc1c(N2CC[C@@H](C[NH+](C)C)C2)ncnc1N1CC[C@H](C[NH+](C)C)C1 ZINC000663786417 452515148 /nfs/dbraw/zinc/51/51/48/452515148.db2.gz AYEHSCHDBOZTAE-CALCHBBNSA-N 2 0 346.523 1.561 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NCc3ccccc3F)C2)C1 ZINC000652346907 452521817 /nfs/dbraw/zinc/52/18/17/452521817.db2.gz LFOISJKCTVHUHS-LZLYRXPVSA-N 2 0 349.450 1.660 20 0 EDADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)N2CCOCC2)o1 ZINC000647788923 452523111 /nfs/dbraw/zinc/52/31/11/452523111.db2.gz VLPLCEKLJRFIHC-MLHJIOFPSA-N 2 0 333.476 1.939 20 0 EDADRP Cn1cnc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000647800585 452531940 /nfs/dbraw/zinc/53/19/40/452531940.db2.gz GGRLHNINTGGJBC-MAUKXSAKSA-N 2 0 327.432 1.593 20 0 EDADRP COCCOc1cccc(CNC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000652359502 452539378 /nfs/dbraw/zinc/53/93/78/452539378.db2.gz KQUDUJDEQVIIRH-UHFFFAOYSA-N 2 0 349.475 1.389 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647832518 452565421 /nfs/dbraw/zinc/56/54/21/452565421.db2.gz APMLYSFRLMUINM-LZQZEXGQSA-N 2 0 345.487 1.735 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652384556 452576784 /nfs/dbraw/zinc/57/67/84/452576784.db2.gz DFBLNNHNAZNPDE-UHFFFAOYSA-N 2 0 325.478 1.416 20 0 EDADRP COc1ccc2c(c1)CN(C(=O)NCCN1CCC([NH+](C)C)CC1)C2 ZINC000654508951 452583604 /nfs/dbraw/zinc/58/36/04/452583604.db2.gz OTEVAKSALAHFPI-UHFFFAOYSA-N 2 0 346.475 1.746 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000647881162 452621145 /nfs/dbraw/zinc/62/11/45/452621145.db2.gz IKGYEFZLHJVHGN-STQMWFEESA-N 2 0 332.366 1.986 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655930775 452700729 /nfs/dbraw/zinc/70/07/29/452700729.db2.gz BRRLOGLOGIYDRL-LLVKDONJSA-N 2 0 338.399 1.711 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCc2cn[nH]n2)CC1 ZINC000647970267 452715623 /nfs/dbraw/zinc/71/56/23/452715623.db2.gz JPALZEHVIAVIKY-CQSZACIVSA-N 2 0 346.454 1.979 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000661955228 452718272 /nfs/dbraw/zinc/71/82/72/452718272.db2.gz CUNDTRQXTGWNAU-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654665933 452780389 /nfs/dbraw/zinc/78/03/89/452780389.db2.gz SAWUVRZKANVFAP-LESCRADOSA-N 2 0 348.491 1.937 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1)c1ccccc1 ZINC000662029562 452781833 /nfs/dbraw/zinc/78/18/33/452781833.db2.gz BCQBNXNRXXWYCE-OKZBNKHCSA-N 2 0 331.460 1.374 20 0 EDADRP O=C([C@H]1CC12CC[NH2+]CC2)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648114931 452830892 /nfs/dbraw/zinc/83/08/92/452830892.db2.gz GFQJWOFPGQWNOI-IAGOWNOFSA-N 2 0 328.460 1.409 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000648116468 452834017 /nfs/dbraw/zinc/83/40/17/452834017.db2.gz LNHWCRIPAKZTJP-SZMVWBNQSA-N 2 0 330.476 1.927 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000648150942 452861885 /nfs/dbraw/zinc/86/18/85/452861885.db2.gz ZCTAJCLHQPLVGR-GOSISDBHSA-N 2 0 330.476 1.172 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC2(CCCC2)O1 ZINC000654740562 452873334 /nfs/dbraw/zinc/87/33/34/452873334.db2.gz JFCNCBHKMHFZGI-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167617 452877297 /nfs/dbraw/zinc/87/72/97/452877297.db2.gz DMJIXTVNLRLOLF-SLHNCBLASA-N 2 0 339.483 1.965 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000645884766 452877954 /nfs/dbraw/zinc/87/79/54/452877954.db2.gz QFRRUPRDVQBTJE-GOSISDBHSA-N 2 0 331.460 1.491 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664212071 452884645 /nfs/dbraw/zinc/88/46/45/452884645.db2.gz GOVKNEFBLIYRSF-JKSUJKDBSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)CC[N@@H+]1C ZINC000664215407 452889658 /nfs/dbraw/zinc/88/96/58/452889658.db2.gz BMCCDXKYWWIKLB-HZSPNIEDSA-N 2 0 337.468 1.262 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)c3ccc(C[NH3+])o3)CCCC2)CC1 ZINC000645951624 452929526 /nfs/dbraw/zinc/92/95/26/452929526.db2.gz IWICCPMDKWCJNF-UHFFFAOYSA-N 2 0 335.448 1.892 20 0 EDADRP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)[nH]1 ZINC000650723830 452951603 /nfs/dbraw/zinc/95/16/03/452951603.db2.gz URYHRUIAMCXLEJ-XYPHTWIQSA-N 2 0 334.464 1.577 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662243514 452969332 /nfs/dbraw/zinc/96/93/32/452969332.db2.gz MLRWTSIRUNYKCS-GFCCVEGCSA-N 2 0 343.443 1.844 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652814139 452970699 /nfs/dbraw/zinc/97/06/99/452970699.db2.gz RXWOHBOENKZNMH-RTBURBONSA-N 2 0 345.487 1.829 20 0 EDADRP O=C(c1ccc(O)cc1)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249136 452973907 /nfs/dbraw/zinc/97/39/07/452973907.db2.gz QFVMUXQAUPNZTQ-QGZVFWFLSA-N 2 0 330.428 1.808 20 0 EDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCN(CCc2ccccn2)CC1 ZINC000662259919 452987883 /nfs/dbraw/zinc/98/78/83/452987883.db2.gz DQENOENZDSLRRE-LJQANCHMSA-N 2 0 344.503 1.541 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)C1 ZINC000646002829 452997333 /nfs/dbraw/zinc/99/73/33/452997333.db2.gz GTPQVNRVPQHFBN-RCCFBDPRSA-N 2 0 336.524 1.523 20 0 EDADRP COc1ccnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1OC ZINC000662285122 453009320 /nfs/dbraw/zinc/00/93/20/453009320.db2.gz XIIFKXFLUIZKNB-UNEWFSDZSA-N 2 0 335.448 1.960 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)NCCOc1ccccc1 ZINC000662291846 453014358 /nfs/dbraw/zinc/01/43/58/453014358.db2.gz YDJIUJNWPSCELN-SFHVURJKSA-N 2 0 345.487 1.893 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000646023947 453020863 /nfs/dbraw/zinc/02/08/63/453020863.db2.gz FEIATEZXOVSVJB-UYAOXDASSA-N 2 0 347.503 1.985 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000658541369 453099176 /nfs/dbraw/zinc/09/91/76/453099176.db2.gz LTAZHSUUMXAVNU-KRWDZBQOSA-N 2 0 344.459 1.194 20 0 EDADRP COCC[N@@H+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)C(C)(C)C1 ZINC000652926863 453109662 /nfs/dbraw/zinc/10/96/62/453109662.db2.gz PVVWDBCACRDCLF-UHFFFAOYSA-N 2 0 334.464 1.477 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCCC2)cc1 ZINC000662426305 453132825 /nfs/dbraw/zinc/13/28/25/453132825.db2.gz WWPXHMHHFXZSRM-QGZVFWFLSA-N 2 0 342.447 1.112 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000646124978 453140182 /nfs/dbraw/zinc/14/01/82/453140182.db2.gz BCPCFLMCWQPOIH-AWEZNQCLSA-N 2 0 332.448 1.133 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000666804279 453157606 /nfs/dbraw/zinc/15/76/06/453157606.db2.gz KTGNVYHOXUUKDD-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@@H](CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000664550855 453187794 /nfs/dbraw/zinc/18/77/94/453187794.db2.gz JDKQPIXUWKRVQM-AWEZNQCLSA-N 2 0 337.468 1.161 20 0 EDADRP C[N@H+](CCn1cc(CN2CC[NH+](C)CC2)nn1)Cc1cccc(F)c1 ZINC000656450506 453192439 /nfs/dbraw/zinc/19/24/39/453192439.db2.gz WWVHBOBOLJKKKF-UHFFFAOYSA-N 2 0 346.454 1.297 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662491374 453208824 /nfs/dbraw/zinc/20/88/24/453208824.db2.gz QYNGGQPANMQJCL-AWEZNQCLSA-N 2 0 349.479 1.060 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)CC1 ZINC000666922897 453246049 /nfs/dbraw/zinc/24/60/49/453246049.db2.gz MHALEAMFJVNGRK-MRXNPFEDSA-N 2 0 344.459 1.274 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000660403702 453280359 /nfs/dbraw/zinc/28/03/59/453280359.db2.gz SLKJUJDBLLDLQJ-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666972950 453287679 /nfs/dbraw/zinc/28/76/79/453287679.db2.gz LSXSXOUNYJGQTE-DLBZAZTESA-N 2 0 336.480 1.118 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666973295 453289577 /nfs/dbraw/zinc/28/95/77/453289577.db2.gz TZJIKMNAHHXKGX-QGZVFWFLSA-N 2 0 338.496 1.412 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114012 453301938 /nfs/dbraw/zinc/30/19/38/453301938.db2.gz VTVQGEOOMPHBCY-VKJFTORMSA-N 2 0 349.500 1.312 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662585286 453312138 /nfs/dbraw/zinc/31/21/38/453312138.db2.gz VIJPMKYRBMVZOH-UHFFFAOYSA-N 2 0 328.416 1.791 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586069 453314544 /nfs/dbraw/zinc/31/45/44/453314544.db2.gz DUQUYOYUAAZKDE-HUUCEWRRSA-N 2 0 331.464 1.338 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587911 453315871 /nfs/dbraw/zinc/31/58/71/453315871.db2.gz ODBHHJPPTPUYMQ-HZPDHXFCSA-N 2 0 346.479 1.054 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C1 ZINC000653125341 453320047 /nfs/dbraw/zinc/32/00/47/453320047.db2.gz WPZMYNQEQCCYFX-QGZVFWFLSA-N 2 0 330.476 1.040 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000653133901 453324613 /nfs/dbraw/zinc/32/46/13/453324613.db2.gz FOIPFXXIHVEOFW-CEXWTWQISA-N 2 0 346.519 1.464 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662614613 453333710 /nfs/dbraw/zinc/33/37/10/453333710.db2.gz SMOIVNADEYDMSE-RBUKOAKNSA-N 2 0 349.519 1.629 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653150314 453338479 /nfs/dbraw/zinc/33/84/79/453338479.db2.gz YRWUGVWLTHJMCB-FGTMMUONSA-N 2 0 334.508 1.146 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653154624 453343861 /nfs/dbraw/zinc/34/38/61/453343861.db2.gz XCLNWSMIEBPXKL-QZTJIDSGSA-N 2 0 332.492 1.388 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)o1 ZINC000662638193 453353365 /nfs/dbraw/zinc/35/33/65/453353365.db2.gz NPWJASZWFWGGDA-UHFFFAOYSA-N 2 0 328.416 1.775 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCCC1 ZINC000662662455 453375719 /nfs/dbraw/zinc/37/57/19/453375719.db2.gz RDLLGSPWBZQNGE-CQSZACIVSA-N 2 0 334.468 1.197 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C3([NH3+])Cc4ccccc4C3)C2)C1 ZINC000653190472 453380368 /nfs/dbraw/zinc/38/03/68/453380368.db2.gz KMLCNBDLOGMPLC-KSZLIROESA-N 2 0 343.471 1.228 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662670379 453384749 /nfs/dbraw/zinc/38/47/49/453384749.db2.gz GRUUJGBSRJEJLE-OAHLLOKOSA-N 2 0 334.468 1.199 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662676387 453394253 /nfs/dbraw/zinc/39/42/53/453394253.db2.gz CJQVRGJFLLTTPF-QZTJIDSGSA-N 2 0 349.475 1.387 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662675935 453394302 /nfs/dbraw/zinc/39/43/02/453394302.db2.gz QYTKRASMUCJPBU-LZQZEXGQSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662691460 453412393 /nfs/dbraw/zinc/41/23/93/453412393.db2.gz RRBNOTSVEFCIRA-CQSZACIVSA-N 2 0 330.432 1.771 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662693485 453414923 /nfs/dbraw/zinc/41/49/23/453414923.db2.gz QHMNSOXBTXQZDH-INIZCTEOSA-N 2 0 348.495 1.445 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2[NH2+]CCC2(C)C)CC1 ZINC000662699528 453419507 /nfs/dbraw/zinc/41/95/07/453419507.db2.gz BMKLBSXCFVRUFI-ZACQAIPSSA-N 2 0 336.524 1.392 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000662709899 453434844 /nfs/dbraw/zinc/43/48/44/453434844.db2.gz UQSKPSLJNZYJSX-ICSRJNTNSA-N 2 0 343.471 1.287 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667147327 453438462 /nfs/dbraw/zinc/43/84/62/453438462.db2.gz ZOPCNPRBZMATNG-BBRMVZONSA-N 2 0 330.432 1.169 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc21 ZINC000662739200 453464889 /nfs/dbraw/zinc/46/48/89/453464889.db2.gz DEUYJQBSAMKJNT-RDJZCZTQSA-N 2 0 330.432 1.505 20 0 EDADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)n1 ZINC000662748623 453478114 /nfs/dbraw/zinc/47/81/14/453478114.db2.gz CHMGQKIHUYXLBZ-ZDUSSCGKSA-N 2 0 335.452 1.335 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000662749961 453481853 /nfs/dbraw/zinc/48/18/53/453481853.db2.gz JSOUEPGWYAUDAF-OAHLLOKOSA-N 2 0 329.444 1.127 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000660701348 453525857 /nfs/dbraw/zinc/52/58/57/453525857.db2.gz RBDCFKMGQHFTGG-LSDHHAIUSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655446238 453534347 /nfs/dbraw/zinc/53/43/47/453534347.db2.gz JAZHWULITYFPAD-VQIMIIECSA-N 2 0 344.459 1.905 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655448720 453534977 /nfs/dbraw/zinc/53/49/77/453534977.db2.gz TZZXSEFAYDFMOO-WMZOPIPTSA-N 2 0 335.492 1.527 20 0 EDADRP [NH3+]C1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000662817643 453549100 /nfs/dbraw/zinc/54/91/00/453549100.db2.gz XVYZBGHVXGZGES-ZNJNVTAHSA-N 2 0 345.409 1.798 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)C2)C1 ZINC000662828185 453554467 /nfs/dbraw/zinc/55/44/67/453554467.db2.gz UKENADKZWDTHDU-GUIRCDHDSA-N 2 0 349.397 1.273 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833036 453559375 /nfs/dbraw/zinc/55/93/75/453559375.db2.gz LUTWSXUKLDZNKS-MJGOQNOKSA-N 2 0 343.471 1.587 20 0 EDADRP [NH3+]CC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCCC1 ZINC000662860969 453576749 /nfs/dbraw/zinc/57/67/49/453576749.db2.gz WHNMHSQHLNXRSI-QGZVFWFLSA-N 2 0 331.460 1.389 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000665112269 453578698 /nfs/dbraw/zinc/57/86/98/453578698.db2.gz SDRTWEYZCGYYPF-QGZVFWFLSA-N 2 0 343.431 1.075 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000665112268 453578906 /nfs/dbraw/zinc/57/89/06/453578906.db2.gz SDRTWEYZCGYYPF-KRWDZBQOSA-N 2 0 343.431 1.075 20 0 EDADRP C[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000660821808 453587493 /nfs/dbraw/zinc/58/74/93/453587493.db2.gz KEFFZMUAGKROSS-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP CN(C(=O)CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900520 453593099 /nfs/dbraw/zinc/59/30/99/453593099.db2.gz MQMCXJKRRXYTEJ-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc21 ZINC000662907938 453597395 /nfs/dbraw/zinc/59/73/95/453597395.db2.gz RGMYNGIKWCDSJW-MSOLQXFVSA-N 2 0 342.487 1.185 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000665217356 453611001 /nfs/dbraw/zinc/61/10/01/453611001.db2.gz GWBNRAPGZAJNBS-QGZVFWFLSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cnccc1N ZINC000665240318 453620129 /nfs/dbraw/zinc/62/01/29/453620129.db2.gz IBNLBZMRBRKUHD-YOEHRIQHSA-N 2 0 326.444 1.912 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659092709 453625989 /nfs/dbraw/zinc/62/59/89/453625989.db2.gz YMNXOXUWWILEKF-CYBMUJFWSA-N 2 0 344.459 1.465 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659095328 453627531 /nfs/dbraw/zinc/62/75/31/453627531.db2.gz CEOWNHGRGXXELQ-AWEZNQCLSA-N 2 0 332.448 1.381 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659307086 453708567 /nfs/dbraw/zinc/70/85/67/453708567.db2.gz LCTDGTMYVVRRMC-RDJZCZTQSA-N 2 0 344.459 1.067 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659307085 453708863 /nfs/dbraw/zinc/70/88/63/453708863.db2.gz LCTDGTMYVVRRMC-NVXWUHKLSA-N 2 0 344.459 1.067 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000659351692 453725150 /nfs/dbraw/zinc/72/51/50/453725150.db2.gz MPJBAUJYZDAEEI-LSTDLKDCSA-N 2 0 331.435 1.777 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1C[NH2+]CCC1(F)F ZINC000659355252 453726243 /nfs/dbraw/zinc/72/62/43/453726243.db2.gz MHBMXOQFDSBTAA-KKUMJFAQSA-N 2 0 341.377 1.632 20 0 EDADRP [NH3+]C1CCC(OCC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659371080 453731779 /nfs/dbraw/zinc/73/17/79/453731779.db2.gz YPDJLDSECDQOQA-BDVYOWHSSA-N 2 0 333.432 1.573 20 0 EDADRP CC[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CO1 ZINC000657416844 453784270 /nfs/dbraw/zinc/78/42/70/453784270.db2.gz XTACPZDHOJUWET-SQNIBIBYSA-N 2 0 333.476 1.433 20 0 EDADRP C[NH+](C)CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000663409926 453791705 /nfs/dbraw/zinc/79/17/05/453791705.db2.gz VCJPNHJQRPBYMY-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CCO1 ZINC000663439316 453799058 /nfs/dbraw/zinc/79/90/58/453799058.db2.gz NVPZNLHLALSNQD-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663445102 453800612 /nfs/dbraw/zinc/80/06/12/453800612.db2.gz GJHODJZXQJPEKK-UHFFFAOYSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661409366 453814408 /nfs/dbraw/zinc/81/44/08/453814408.db2.gz VECULTKQMNRANB-HOTGVXAUSA-N 2 0 338.496 1.412 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000683369926 486698612 /nfs/dbraw/zinc/69/86/12/486698612.db2.gz UHGLWSBFHAHKIY-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP O=C1C[C@@H]([NH2+]Cc2ccccc2C2CC2)CN1CCN1CCOCC1 ZINC000676419901 486763867 /nfs/dbraw/zinc/76/38/67/486763867.db2.gz YHFMEXJIFZZEQX-GOSISDBHSA-N 2 0 343.471 1.587 20 0 EDADRP CC[C@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@@H]1[NH3+] ZINC000318899862 486814052 /nfs/dbraw/zinc/81/40/52/486814052.db2.gz QGRCSPFPCVZMJW-HOCLYGCPSA-N 2 0 325.478 1.496 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000680581807 486818677 /nfs/dbraw/zinc/81/86/77/486818677.db2.gz FKWWOKRUHGNYLL-CYAQNONDSA-N 2 0 335.536 1.789 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCN3CCCC3=O)CC2)CC1 ZINC000676709516 486848541 /nfs/dbraw/zinc/84/85/41/486848541.db2.gz LUDCJAFRMRVTSY-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCOC1 ZINC000681208995 486973469 /nfs/dbraw/zinc/97/34/69/486973469.db2.gz QUUUBBVEUZBXJR-FUHWJXTLSA-N 2 0 333.476 1.764 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnn1C(F)F ZINC000667812758 486977756 /nfs/dbraw/zinc/97/77/56/486977756.db2.gz VZZGMDVZPJATHA-CYBMUJFWSA-N 2 0 343.422 1.766 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000684391525 487047398 /nfs/dbraw/zinc/04/73/98/487047398.db2.gz XVQFXENDULCRMM-OAHLLOKOSA-N 2 0 347.463 1.406 20 0 EDADRP Cn1ncc(C2CC2)c1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000668159064 487123233 /nfs/dbraw/zinc/12/32/33/487123233.db2.gz KFDSZNRHCNXROK-UHFFFAOYSA-N 2 0 331.508 1.757 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+](C)C ZINC000673864675 487138206 /nfs/dbraw/zinc/13/82/06/487138206.db2.gz CXDSQKJXYLYWDL-MRXNPFEDSA-N 2 0 338.500 1.933 20 0 EDADRP C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044882 487220583 /nfs/dbraw/zinc/22/05/83/487220583.db2.gz RVZMCIPDWLKINU-CRAIPNDOSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc(Cl)c(S(N)(=O)=O)c1)Cn1ccnc1 ZINC000685325508 487260656 /nfs/dbraw/zinc/26/06/56/487260656.db2.gz HBWCUKSNTOHZJC-LLVKDONJSA-N 2 0 342.852 1.610 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470748 487280533 /nfs/dbraw/zinc/28/05/33/487280533.db2.gz PFARUJVGDQYSGR-RDJZCZTQSA-N 2 0 337.489 1.974 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000682111760 487304371 /nfs/dbraw/zinc/30/43/71/487304371.db2.gz KGVBYXGLTYRALC-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000682419429 487361109 /nfs/dbraw/zinc/36/11/09/487361109.db2.gz VWUUFGIBPQQNAK-CRAIPNDOSA-N 2 0 348.491 1.309 20 0 EDADRP O=c1ccccn1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537560 487436140 /nfs/dbraw/zinc/43/61/40/487436140.db2.gz TUTHVBCOYZQHKV-UHFFFAOYSA-N 2 0 333.476 1.673 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669552189 485547340 /nfs/dbraw/zinc/54/73/40/485547340.db2.gz KFXLKEFEPQPOEM-OWOJBTEDSA-N 2 0 346.475 1.518 20 0 EDADRP CCOc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1Cl ZINC000584465490 485864567 /nfs/dbraw/zinc/86/45/67/485864567.db2.gz LHCLTBHIFBNXIY-OAHLLOKOSA-N 2 0 341.883 1.437 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000343714732 485937363 /nfs/dbraw/zinc/93/73/63/485937363.db2.gz BPOCDOKESZKGEL-KURKYZTESA-N 2 0 335.492 1.430 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000345046032 485956428 /nfs/dbraw/zinc/95/64/28/485956428.db2.gz APFMDQPVFKWXEO-MSOLQXFVSA-N 2 0 335.492 1.430 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+]1CCCC1 ZINC000668644725 485989877 /nfs/dbraw/zinc/98/98/77/485989877.db2.gz OGIVKPRDLWUDOM-DWTRPJMMSA-N 2 0 332.448 1.646 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669366022 486013239 /nfs/dbraw/zinc/01/32/39/486013239.db2.gz HMYOHERNBSHWEI-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000669398761 486059237 /nfs/dbraw/zinc/05/92/37/486059237.db2.gz LXJJFUREGXPDNJ-MAZHCROVSA-N 2 0 338.427 1.186 20 0 EDADRP CC1(C)CN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1CCO ZINC000673053655 486077123 /nfs/dbraw/zinc/07/71/23/486077123.db2.gz AYYDOHDRIFJGIU-UHFFFAOYSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000669405732 486077428 /nfs/dbraw/zinc/07/74/28/486077428.db2.gz XGTBPEWVSZMSJV-ONIAQPFYSA-N 2 0 346.475 1.580 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433391772 486094511 /nfs/dbraw/zinc/09/45/11/486094511.db2.gz XEQLGXORSSIULX-UXLLHSPISA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000669418664 486137740 /nfs/dbraw/zinc/13/77/40/486137740.db2.gz XXXSBWVKOXNVIB-CRAIPNDOSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000669420301 486139937 /nfs/dbraw/zinc/13/99/37/486139937.db2.gz IPQHHGMATCYARH-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NCC1C[NH2+]C1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000669474484 486227834 /nfs/dbraw/zinc/22/78/34/486227834.db2.gz WSRMNYCYHMJQFP-AYHJJNSGSA-N 2 0 328.460 1.701 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000669496432 486270502 /nfs/dbraw/zinc/27/05/02/486270502.db2.gz OGNLJSOFTRXIQJ-CRAIPNDOSA-N 2 0 342.487 1.479 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000669509646 486292910 /nfs/dbraw/zinc/29/29/10/486292910.db2.gz KWWKKBQDPLFNSM-HIFRSBDPSA-N 2 0 340.265 1.881 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCO1 ZINC000669511482 486294995 /nfs/dbraw/zinc/29/49/95/486294995.db2.gz LVGXNKBFSMIRLB-XYJFISCASA-N 2 0 348.491 1.655 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000517338181 486634565 /nfs/dbraw/zinc/63/45/65/486634565.db2.gz LQYLVGATFINVQR-OIISXLGYSA-N 2 0 335.423 1.014 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375567 491012538 /nfs/dbraw/zinc/01/25/38/491012538.db2.gz DRWUXPOPXCEGEJ-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CN(C)CCO1 ZINC000128720737 491017724 /nfs/dbraw/zinc/01/77/24/491017724.db2.gz YKCZAFZXIHEYGT-CGTJXYLNSA-N 2 0 348.491 1.178 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188740187 525380847 /nfs/dbraw/zinc/38/08/47/525380847.db2.gz LCIJOABVHFIXQK-BETUJISGSA-N 2 0 333.480 1.542 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000166044964 528037753 /nfs/dbraw/zinc/03/77/53/528037753.db2.gz RUNOPOBITAHXEJ-RHSMWYFYSA-N 2 0 332.452 1.670 20 0 EDADRP CC1CC[NH+](C[C@H]2CCC[N@H+](CCC(=O)N3CCOCC3)C2)CC1 ZINC000154712941 528253667 /nfs/dbraw/zinc/25/36/67/528253667.db2.gz CHOVINSLSXOCBR-SFHVURJKSA-N 2 0 337.508 1.679 20 0 EDADRP CC1CCC(NC(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000333864003 535263060 /nfs/dbraw/zinc/26/30/60/535263060.db2.gz QOBUIEJBGFCZRL-SYARIVLMSA-N 2 0 337.508 1.900 20 0 EDADRP CCCc1cc(N(CCC[NH+](C)C)CCC[NH+](C)C)n2ncnc2n1 ZINC000267088126 535396337 /nfs/dbraw/zinc/39/63/37/535396337.db2.gz HUMDXXPUZHROGB-UHFFFAOYSA-N 2 0 347.511 1.787 20 0 EDADRP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000248390371 535420780 /nfs/dbraw/zinc/42/07/80/535420780.db2.gz TZPVVZNSUKHYQX-ROUUACIJSA-N 2 0 333.476 1.600 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000262276378 535604993 /nfs/dbraw/zinc/60/49/93/535604993.db2.gz TZFGAPROKWRNED-SFHVURJKSA-N 2 0 348.491 1.244 20 0 EDADRP CCC[C@H]([NH3+])C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236813376 535676450 /nfs/dbraw/zinc/67/64/50/535676450.db2.gz ITXYZNZZLYZRGF-ZOBUZTSGSA-N 2 0 325.497 1.852 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236983502 535747053 /nfs/dbraw/zinc/74/70/53/535747053.db2.gz YHUOPSKKMIGSFU-LSDHHAIUSA-N 2 0 348.466 1.754 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]([NH3+])[C@@H](C)C3)c2)CC1 ZINC000331574468 535752841 /nfs/dbraw/zinc/75/28/41/535752841.db2.gz HWVYJAYAWYTOPP-YOEHRIQHSA-N 2 0 331.464 1.639 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000353384812 535777665 /nfs/dbraw/zinc/77/76/65/535777665.db2.gz LEXBQUWNFSYMIT-KRWDZBQOSA-N 2 0 344.463 1.138 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000337404390 535970878 /nfs/dbraw/zinc/97/08/78/535970878.db2.gz ROXIOGLITFVRDE-MRXNPFEDSA-N 2 0 328.501 1.253 20 0 EDADRP C[NH+]1CCC(NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000332546610 536340663 /nfs/dbraw/zinc/34/06/63/536340663.db2.gz NHHOWMOJMZSRDU-SJORKVTESA-N 2 0 334.439 1.746 20 0 EDADRP CO[C@@H]1CCC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000340286316 536623567 /nfs/dbraw/zinc/62/35/67/536623567.db2.gz SZIYZWDRRXBFJS-DLBZAZTESA-N 2 0 327.513 1.924 20 0 EDADRP COCC1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000261548776 536808037 /nfs/dbraw/zinc/80/80/37/536808037.db2.gz DOOGLFRMMGYQOO-UHFFFAOYSA-N 2 0 345.487 1.783 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000726188507 578336078 /nfs/dbraw/zinc/33/60/78/578336078.db2.gz GCTAUCNGPGJBQI-UHFFFAOYSA-N 2 0 333.480 1.900 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734271952 578803951 /nfs/dbraw/zinc/80/39/51/578803951.db2.gz NXWASIZMTWDHDE-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCCNC(=S)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745178394 579541199 /nfs/dbraw/zinc/54/11/99/579541199.db2.gz LLYOPAFVVMZZCB-UHFFFAOYSA-N 2 0 342.553 1.389 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)o1 ZINC000747231317 579634615 /nfs/dbraw/zinc/63/46/15/579634615.db2.gz HPFBDVXVNCQXJM-HOCLYGCPSA-N 2 0 335.448 1.714 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000749510193 579728922 /nfs/dbraw/zinc/72/89/22/579728922.db2.gz XQIIIFLTGBWUOK-QGZVFWFLSA-N 2 0 325.497 1.679 20 0 EDADRP CN1CC[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc21 ZINC000750771534 579780616 /nfs/dbraw/zinc/78/06/16/579780616.db2.gz HJFZTLGHJJNTMY-KRWDZBQOSA-N 2 0 332.492 1.562 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000756815402 579957543 /nfs/dbraw/zinc/95/75/43/579957543.db2.gz ZWFSEYHIRFUSRY-HZPDHXFCSA-N 2 0 326.554 1.913 20 0 EDADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCCCC1 ZINC000764249227 580116514 /nfs/dbraw/zinc/11/65/14/580116514.db2.gz ZRAWAGWMMBSGPW-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP CCC[C@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@@H+]1CCOC ZINC000766698969 580172137 /nfs/dbraw/zinc/17/21/37/580172137.db2.gz FCIBWEILZOFXJQ-HNNXBMFYSA-N 2 0 330.542 1.245 20 0 EDADRP O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000769919404 580248533 /nfs/dbraw/zinc/24/85/33/580248533.db2.gz KYRDKXPZAJWPFV-DLBZAZTESA-N 2 0 328.460 1.957 20 0 EDADRP O=C(C[NH2+][C@H](CCO)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000771798107 580294327 /nfs/dbraw/zinc/29/43/27/580294327.db2.gz FCPAUBAXQZRIMS-LJQANCHMSA-N 2 0 345.487 1.649 20 0 EDADRP O=C1O[C@]2(CN1CN1CCC[C@@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000790375359 580767852 /nfs/dbraw/zinc/76/78/52/580767852.db2.gz TXLLVNBALQXQHQ-CJNGLKHVSA-N 2 0 345.390 1.564 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794274317 580884490 /nfs/dbraw/zinc/88/44/90/580884490.db2.gz FURKKKWRTGWJTO-OAHLLOKOSA-N 2 0 329.485 1.536 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000799178069 581021437 /nfs/dbraw/zinc/02/14/37/581021437.db2.gz FUDVBERJGRDSAI-IAGOWNOFSA-N 2 0 326.481 1.351 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(F)cn2)[C@@H](C)C1 ZINC000799322276 581025522 /nfs/dbraw/zinc/02/55/22/581025522.db2.gz LSJAZOLMGBSWLL-QILLFSRXSA-N 2 0 339.455 1.981 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891816095 590634402 /nfs/dbraw/zinc/63/44/02/590634402.db2.gz MJYPJXZUVIEHFW-MRXNPFEDSA-N 2 0 348.491 1.768 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857709 590659888 /nfs/dbraw/zinc/65/98/88/590659888.db2.gz DQFLCFHUSMNGQS-KBPBESRZSA-N 2 0 348.438 1.031 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000891894102 590676963 /nfs/dbraw/zinc/67/69/63/590676963.db2.gz AULZULNMXMYFRD-ITQYTPKQSA-N 2 0 330.476 1.929 20 0 EDADRP CN1CCN(C(=O)CC2CC[NH+](CC3CC[NH+](C)CC3)CC2)CC1 ZINC000891949074 590702358 /nfs/dbraw/zinc/70/23/58/590702358.db2.gz LLKNCXXOZVGKAU-UHFFFAOYSA-N 2 0 336.524 1.204 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000891979208 590721022 /nfs/dbraw/zinc/72/10/22/590721022.db2.gz LURXTEUKYGGCMQ-RHSMWYFYSA-N 2 0 332.448 1.351 20 0 EDADRP C[C@@]12CN(C(=O)NC[C@H]([NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892051260 590772601 /nfs/dbraw/zinc/77/26/01/590772601.db2.gz QEVWWYQZDVDPIC-CMKODMSKSA-N 2 0 342.487 1.887 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000893326095 590780782 /nfs/dbraw/zinc/78/07/82/590780782.db2.gz BBMJVZHVTUPLHO-UHFFFAOYSA-N 2 0 342.491 1.444 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000892095092 590797308 /nfs/dbraw/zinc/79/73/08/590797308.db2.gz CZGBAJHQCGXELU-KMFMINBZSA-N 2 0 332.448 1.492 20 0 EDADRP c1nc2n(c1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)CCOC2 ZINC000892131165 590815107 /nfs/dbraw/zinc/81/51/07/590815107.db2.gz XIQVUXNOPLTKON-UHFFFAOYSA-N 2 0 334.464 1.490 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892148048 590821527 /nfs/dbraw/zinc/82/15/27/590821527.db2.gz RNGQHUJEIRBCPK-YQVWRLOYSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H]1CN(Cc2c3c(nn2C)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892151781 590824935 /nfs/dbraw/zinc/82/49/35/590824935.db2.gz BKRVPWIQLCPJKE-YJBOKZPZSA-N 2 0 331.508 1.367 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccc(F)cc1 ZINC000892164944 590835739 /nfs/dbraw/zinc/83/57/39/590835739.db2.gz NSLKXGRKCPOZRX-UAGQMJEPSA-N 2 0 334.439 1.774 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000892176227 590845793 /nfs/dbraw/zinc/84/57/93/590845793.db2.gz QADQCDCMPGSSEI-QRTARXTBSA-N 2 0 332.448 1.479 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC([NH2+]C3CCC3)CC2)CCSC1 ZINC000893416968 590856850 /nfs/dbraw/zinc/85/68/50/590856850.db2.gz NHXRZJNAOILOIV-QGZVFWFLSA-N 2 0 340.537 1.740 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000892189501 590857138 /nfs/dbraw/zinc/85/71/38/590857138.db2.gz VRTFUMXHFLVFTI-IKWCTNDRSA-N 2 0 336.402 1.638 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCC2CC[NH2+]CC2)c1 ZINC000892233965 590878951 /nfs/dbraw/zinc/87/89/51/590878951.db2.gz ZWOIMUFDHFRREC-GOSISDBHSA-N 2 0 346.475 1.741 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000892400648 591011591 /nfs/dbraw/zinc/01/15/91/591011591.db2.gz UGSCDVPJRCLAHM-MSOLQXFVSA-N 2 0 328.460 1.602 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892452505 591032811 /nfs/dbraw/zinc/03/28/11/591032811.db2.gz CNBOTMZLYDGPST-UHFFFAOYSA-N 2 0 338.496 1.352 20 0 EDADRP CCCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CC[NH2+]C1 ZINC000892477502 591041125 /nfs/dbraw/zinc/04/11/25/591041125.db2.gz CTYLQQVVEUQVQS-MRXNPFEDSA-N 2 0 334.468 1.756 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892489816 591046528 /nfs/dbraw/zinc/04/65/28/591046528.db2.gz MLOAXMNLSDBPNU-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891349474 591054445 /nfs/dbraw/zinc/05/44/45/591054445.db2.gz IJZDFFAADRFYDP-JHJVBQTASA-N 2 0 336.402 1.639 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000891348866 591054648 /nfs/dbraw/zinc/05/46/48/591054648.db2.gz QTFBPIYHASKSTK-FGTMMUONSA-N 2 0 332.492 1.976 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891365713 591062521 /nfs/dbraw/zinc/06/25/21/591062521.db2.gz NOTOPVHQOWXXOL-LOWVWBTDSA-N 2 0 334.386 1.249 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000893741914 591072423 /nfs/dbraw/zinc/07/24/23/591072423.db2.gz WKBSWYGYLFANIY-DLBZAZTESA-N 2 0 340.512 1.442 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000891516039 591102319 /nfs/dbraw/zinc/10/23/19/591102319.db2.gz CNNRHSNFCWBDBW-QGZVFWFLSA-N 2 0 346.475 1.276 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891528734 591108622 /nfs/dbraw/zinc/10/86/22/591108622.db2.gz JZDJOGRZOKJRNG-HNNXBMFYSA-N 2 0 340.512 1.789 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000891534181 591110729 /nfs/dbraw/zinc/11/07/29/591110729.db2.gz LCOBSUKNCNQQSP-WMZOPIPTSA-N 2 0 332.492 1.800 20 0 EDADRP C[NH+]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876988 591125749 /nfs/dbraw/zinc/12/57/49/591125749.db2.gz DHGCYDXXIQLEOY-XDNAFOTISA-N 2 0 328.460 1.635 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561134 591126039 /nfs/dbraw/zinc/12/60/39/591126039.db2.gz URVPGOSCMWQUBG-JKSUJKDBSA-N 3 0 337.512 1.068 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576709 591132840 /nfs/dbraw/zinc/13/28/40/591132840.db2.gz NMGJJFXLAHWTQW-HZPDHXFCSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643864 591165144 /nfs/dbraw/zinc/16/51/44/591165144.db2.gz IQQVMWGGDYNUHS-LEUOFYLZSA-N 2 0 328.460 1.653 20 0 EDADRP COCCC1(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000891648792 591167097 /nfs/dbraw/zinc/16/70/97/591167097.db2.gz ZYZKGJVKHQEYPV-GJZGRUSLSA-N 2 0 326.485 1.317 20 0 EDADRP Cc1[nH+]ccc(NC[C@H]2CCC[N@@H+]2CCCO)c1Br ZINC000894020961 591169051 /nfs/dbraw/zinc/16/90/51/591169051.db2.gz AXVAQYOLUBQKDT-GFCCVEGCSA-N 2 0 328.254 1.833 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892789742 591180126 /nfs/dbraw/zinc/18/01/26/591180126.db2.gz SNPMFGCUHOMBES-MJGOQNOKSA-N 2 0 328.460 1.486 20 0 EDADRP CN(C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892809075 591187654 /nfs/dbraw/zinc/18/76/54/591187654.db2.gz RWILNYORSASMMG-WMZOPIPTSA-N 2 0 328.460 1.579 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N1CCc3sc(C[NH3+])nc3C1)C2 ZINC000892877378 591212684 /nfs/dbraw/zinc/21/26/84/591212684.db2.gz FZNQETUUTPRMIL-IYBDPMFKSA-N 2 0 335.477 1.011 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(F)F ZINC000894190738 591222911 /nfs/dbraw/zinc/22/29/11/591222911.db2.gz WYHLFSMXVLAQKL-CABCVRRESA-N 2 0 342.386 1.771 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N2CCC([NH3+])(CC)CC2)C1 ZINC000892925731 591227033 /nfs/dbraw/zinc/22/70/33/591227033.db2.gz TUKBTVNMSMJBON-MRXNPFEDSA-N 2 0 340.512 1.742 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000895650549 591237959 /nfs/dbraw/zinc/23/79/59/591237959.db2.gz WJNZWMVZHLLWLT-GOSISDBHSA-N 2 0 345.487 1.662 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892991905 591249036 /nfs/dbraw/zinc/24/90/36/591249036.db2.gz QZTISMUSZQGIEU-QGZVFWFLSA-N 2 0 331.508 1.524 20 0 EDADRP C[NH+](C)C[C@@H]1CN([C@H]2CCC3(C[C@H]2F)OCCO3)C[C@H]1C[NH+](C)C ZINC000895700183 591253017 /nfs/dbraw/zinc/25/30/17/591253017.db2.gz SBCBTZUMBFPKSR-VQHPVUNQSA-N 2 0 343.487 1.291 20 0 EDADRP CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000893014829 591254248 /nfs/dbraw/zinc/25/42/48/591254248.db2.gz ZYNALVCCOMVCRS-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000893025421 591258842 /nfs/dbraw/zinc/25/88/42/591258842.db2.gz ZYDBDMBQVGLEJX-INIZCTEOSA-N 2 0 339.528 1.232 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CC[S@](C)=O)c2c1OC(F)(F)O2 ZINC000894282684 591264475 /nfs/dbraw/zinc/26/44/75/591264475.db2.gz BTRTWDGWXRTXEK-QFIPXVFZSA-N 2 0 334.388 1.538 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1ncnc2sc(NC[C@H]3CC[N@H+]3C)nc21 ZINC000895769241 591269104 /nfs/dbraw/zinc/26/91/04/591269104.db2.gz PCLPTWYPQZNBNY-GHMZBOCLSA-N 2 0 333.465 1.318 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000895837325 591285307 /nfs/dbraw/zinc/28/53/07/591285307.db2.gz MBGPUYHZAGMDHC-UHFFFAOYSA-N 2 0 349.519 1.822 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000894377508 591295381 /nfs/dbraw/zinc/29/53/81/591295381.db2.gz ABQCITRQUFTKFK-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP CN1Cc2ccccc2[C@@H]1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000896241300 591397956 /nfs/dbraw/zinc/39/79/56/591397956.db2.gz XUUKOAJHRPWJFN-SFHVURJKSA-N 2 0 345.491 1.062 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC([NH+]2CCCC2)C1 ZINC000898612428 591439270 /nfs/dbraw/zinc/43/92/70/591439270.db2.gz FLGMVAGQRASGCK-KRWDZBQOSA-N 2 0 328.460 1.600 20 0 EDADRP CCc1c[nH]c2ncnc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c12 ZINC000894869355 591451675 /nfs/dbraw/zinc/45/16/75/591451675.db2.gz YVPUPLKVLFIMJM-HUUCEWRRSA-N 2 0 330.480 1.696 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000896608924 591551255 /nfs/dbraw/zinc/55/12/55/591551255.db2.gz JJCZGQQFTWNYHW-JONQDZQNSA-N 2 0 338.521 1.444 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@H]([NH+]2CCC(F)(C3CC3)CC2)C1=O ZINC000899246318 591748363 /nfs/dbraw/zinc/74/83/63/591748363.db2.gz ZKSRHRBJYMDFON-AWEZNQCLSA-N 2 0 325.428 1.280 20 0 EDADRP COC(=O)c1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000895417556 591750010 /nfs/dbraw/zinc/75/00/10/591750010.db2.gz CFLDXNOORZYIPJ-HUUCEWRRSA-N 2 0 339.505 1.706 20 0 EDADRP COC(=O)[C@H]1[C@H](CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1(F)F ZINC000895444818 591757184 /nfs/dbraw/zinc/75/71/84/591757184.db2.gz UQFBCICGIBFFCD-GXTWGEPZSA-N 2 0 340.374 1.300 20 0 EDADRP CN1C[C@@H](O)C[C@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952699 591839386 /nfs/dbraw/zinc/83/93/86/591839386.db2.gz OZKWVSGKYDHVFN-FUHWJXTLSA-N 2 0 337.508 1.747 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)[C@@H](C)C1 ZINC000898367023 591892398 /nfs/dbraw/zinc/89/23/98/591892398.db2.gz KGLLKUAGPOVLQM-XQQFMLRXSA-N 2 0 339.871 1.734 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000900106906 591909890 /nfs/dbraw/zinc/90/98/90/591909890.db2.gz VTZZOLNWYDEBAK-UHFFFAOYSA-N 2 0 335.496 1.829 20 0 EDADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(C[C@@H]3CCCC[NH2+]C3)nn2)c1 ZINC000899740550 591928274 /nfs/dbraw/zinc/92/82/74/591928274.db2.gz HNCGIVBTRKGJKY-CQSZACIVSA-N 2 0 342.447 1.493 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900214335 591945067 /nfs/dbraw/zinc/94/50/67/591945067.db2.gz CDIJAKLVNAUFCP-MRXNPFEDSA-N 2 0 335.496 1.687 20 0 EDADRP C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)C[NH+]1CCCC1 ZINC000900273286 591976186 /nfs/dbraw/zinc/97/61/86/591976186.db2.gz WFUIMOVMYMNYTB-WWDZGPRUSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331954 591980005 /nfs/dbraw/zinc/98/00/05/591980005.db2.gz XCWWAWPDLWIHOL-ROUUACIJSA-N 2 0 345.535 1.960 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902362911 591987107 /nfs/dbraw/zinc/98/71/07/591987107.db2.gz JBSDYYBPERFUCU-MRXNPFEDSA-N 2 0 345.553 1.804 20 0 EDADRP Cn1ccnc1[C@@H]1[C@@H]([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC(=O)N1C ZINC000902400293 591990910 /nfs/dbraw/zinc/99/09/10/591990910.db2.gz PMFOETRINONHJH-YCPHGPKFSA-N 2 0 333.480 1.450 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@@H+]3C)C2)CC1 ZINC000900453938 592021715 /nfs/dbraw/zinc/02/17/15/592021715.db2.gz QCMAZBQAYYSBNC-YQVWRLOYSA-N 2 0 337.508 1.412 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900686474 592094865 /nfs/dbraw/zinc/09/48/65/592094865.db2.gz MELLDLONHLIIGZ-UHFFFAOYSA-N 2 0 343.475 1.658 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000900720947 592104133 /nfs/dbraw/zinc/10/41/33/592104133.db2.gz HUYSWFSGXOJZHX-ICSRJNTNSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@@H]1CN(S(C)(=O)=O)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903137273 592126168 /nfs/dbraw/zinc/12/61/68/592126168.db2.gz KEWZLDHEZUKXDI-IBWRZXHSSA-N 2 0 341.521 1.404 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903277813 592150025 /nfs/dbraw/zinc/15/00/25/592150025.db2.gz CHOUCTLHNIMFFG-MISYRCLQSA-N 2 0 347.503 1.322 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903449861 592173463 /nfs/dbraw/zinc/17/34/63/592173463.db2.gz JBKBRMIDTXJQSB-OAHLLOKOSA-N 2 0 345.443 1.360 20 0 EDADRP CC[C@@H]1C[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC[C@H]1[NH3+] ZINC000903450291 592173746 /nfs/dbraw/zinc/17/37/46/592173746.db2.gz SREURTFBLAGDTM-RHSMWYFYSA-N 2 0 345.443 1.358 20 0 EDADRP C[C@@H]1C[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C[C@H]1CC[NH3+] ZINC000903496810 592187807 /nfs/dbraw/zinc/18/78/07/592187807.db2.gz FOTCDZKCLGIBNN-DGCLKSJQSA-N 2 0 330.388 1.882 20 0 EDADRP COCCOc1cccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496748 592187907 /nfs/dbraw/zinc/18/79/07/592187907.db2.gz BOWQYVJENGDFSC-NVXWUHKLSA-N 2 0 349.475 1.245 20 0 EDADRP NC(=O)[C@@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509399 592189951 /nfs/dbraw/zinc/18/99/51/592189951.db2.gz HYZVKOKRUYLIRJ-FGTMMUONSA-N 2 0 328.460 1.114 20 0 EDADRP Brc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[NH2+]CC1)CCO2 ZINC000903565018 592212378 /nfs/dbraw/zinc/21/23/78/592212378.db2.gz CJKKRWJMTUAGGK-AWEZNQCLSA-N 2 0 340.265 1.768 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901078978 592226152 /nfs/dbraw/zinc/22/61/52/592226152.db2.gz SWDQTVOEWQRNRS-KSZLIROESA-N 2 0 335.492 1.717 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000906646245 592232086 /nfs/dbraw/zinc/23/20/86/592232086.db2.gz OJKRVDOQITXSDH-HNNXBMFYSA-N 2 0 330.432 1.171 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000906649929 592234761 /nfs/dbraw/zinc/23/47/61/592234761.db2.gz BPBCWWDSGZZWNK-INIZCTEOSA-N 2 0 344.459 1.419 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906651575 592234958 /nfs/dbraw/zinc/23/49/58/592234958.db2.gz SDHQWIBAIZKCCB-CYBMUJFWSA-N 2 0 332.448 1.277 20 0 EDADRP C[C@@]1(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904372928 592240303 /nfs/dbraw/zinc/24/03/03/592240303.db2.gz JXTPOUIWNCWGGV-LJQANCHMSA-N 3 0 330.520 1.959 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904371318 592240448 /nfs/dbraw/zinc/24/04/48/592240448.db2.gz MJMLXDBPCUXAGY-PKOBYXMFSA-N 3 0 348.491 1.408 20 0 EDADRP Cc1cc(NC(=O)N2CC[C@@H]3CC[C@]32C[NH3+])n(C2CC[NH+](C)CC2)n1 ZINC000904366813 592242438 /nfs/dbraw/zinc/24/24/38/592242438.db2.gz PYYVFEVYARLEMY-KSSFIOAISA-N 2 0 346.479 1.803 20 0 EDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000904406470 592250743 /nfs/dbraw/zinc/25/07/43/592250743.db2.gz WFWHXYZFJLGSIO-INIZCTEOSA-N 2 0 331.460 1.762 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906679657 592260738 /nfs/dbraw/zinc/26/07/38/592260738.db2.gz WHWGXIPZPTWIMC-CYBMUJFWSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@H]3C[NH2+]CC3(C)C)ccc21 ZINC000906701987 592275138 /nfs/dbraw/zinc/27/51/38/592275138.db2.gz UGOOHPYTKXLVLI-HOTGVXAUSA-N 2 0 344.459 1.288 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)ccc21 ZINC000906701988 592275260 /nfs/dbraw/zinc/27/52/60/592275260.db2.gz UGOOHPYTKXLVLI-HZPDHXFCSA-N 2 0 344.459 1.288 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903718329 592280583 /nfs/dbraw/zinc/28/05/83/592280583.db2.gz KUIFBNXLLGUTLA-AZUAARDMSA-N 2 0 343.471 1.649 20 0 EDADRP O=S(=O)(CC[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749667 592294777 /nfs/dbraw/zinc/29/47/77/592294777.db2.gz ODWGCAGZKFUOOX-CVEARBPZSA-N 2 0 337.489 1.750 20 0 EDADRP O[C@H](CN1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739635 592301284 /nfs/dbraw/zinc/30/12/84/592301284.db2.gz NFEAXEOERJLDHX-AQNXPRMDSA-N 2 0 345.487 1.106 20 0 EDADRP c1ccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)nc1 ZINC000903742630 592304009 /nfs/dbraw/zinc/30/40/09/592304009.db2.gz YHPDKALWIJQRLO-IRXDYDNUSA-N 2 0 330.476 1.974 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000904649783 592303997 /nfs/dbraw/zinc/30/39/97/592303997.db2.gz WWNCZRKVOLRHJB-SJORKVTESA-N 2 0 332.448 1.645 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742763 592304326 /nfs/dbraw/zinc/30/43/26/592304326.db2.gz ZNVMECSWAUGHLW-ZWKOTPCHSA-N 3 0 339.524 1.578 20 0 EDADRP Cc1cnc(OC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903766644 592309711 /nfs/dbraw/zinc/30/97/11/592309711.db2.gz BLBTYLQTZKHTNR-QGZVFWFLSA-N 2 0 346.475 1.787 20 0 EDADRP Cc1noc(C[C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824430 592334684 /nfs/dbraw/zinc/33/46/84/592334684.db2.gz QPFRNYWWIFRFNQ-CVEARBPZSA-N 2 0 334.464 1.791 20 0 EDADRP [NH3+]C[C@]12CC[C@H]1CCN2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862599 592349382 /nfs/dbraw/zinc/34/93/82/592349382.db2.gz AFNBFWRDKFNGAX-IFXJQAMLSA-N 2 0 343.427 1.112 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@@H](CC)C2)C1 ZINC000906827030 592355033 /nfs/dbraw/zinc/35/50/33/592355033.db2.gz PODXUHRYECUKSG-ULQDDVLXSA-N 2 0 325.497 1.412 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000903897971 592368412 /nfs/dbraw/zinc/36/84/12/592368412.db2.gz KTRZHEMBVDOYJI-QGZVFWFLSA-N 2 0 333.480 1.841 20 0 EDADRP Cn1cc(C[C@H]2CC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)cn1 ZINC000903898879 592368419 /nfs/dbraw/zinc/36/84/19/592368419.db2.gz OYCGCWWCQSEINJ-ZBFHGGJFSA-N 2 0 329.452 1.001 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2C[C@@H](C)[NH2+]Cc3ccccc32)cnn1C ZINC000903919639 592376882 /nfs/dbraw/zinc/37/68/82/592376882.db2.gz PCUOTUHPWBYMJP-GDBMZVCRSA-N 2 0 327.476 1.844 20 0 EDADRP O[C@@H](C[NH2+]Cc1cccc(CN2CCOCC2)c1)C1(O)CCCC1 ZINC000905051759 592380556 /nfs/dbraw/zinc/38/05/56/592380556.db2.gz HNVWDFWAEWFIAZ-SFHVURJKSA-N 2 0 334.460 1.274 20 0 EDADRP C[N@@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000903928150 592381505 /nfs/dbraw/zinc/38/15/05/592381505.db2.gz WJJGYDDBXNOHGD-INIZCTEOSA-N 2 0 326.448 1.655 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000903930300 592382183 /nfs/dbraw/zinc/38/21/83/592382183.db2.gz WQJQXBYBPMFDOB-WMZOPIPTSA-N 2 0 326.448 1.349 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccccc1)C2 ZINC000903978277 592399307 /nfs/dbraw/zinc/39/93/07/592399307.db2.gz DBHPNAKCCLYHQO-FCEWJHQRSA-N 2 0 340.427 1.789 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cncc3ccccc31)C2 ZINC000903978420 592399773 /nfs/dbraw/zinc/39/97/73/592399773.db2.gz FCCSJIPXXULNQT-FCEWJHQRSA-N 2 0 325.412 1.947 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908238677 592400133 /nfs/dbraw/zinc/40/01/33/592400133.db2.gz BMGIXPPNAXSREH-LJQANCHMSA-N 2 0 339.524 1.948 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)C1(O)CCOCC1 ZINC000905074526 592403509 /nfs/dbraw/zinc/40/35/09/592403509.db2.gz ZAJHWHSGLUZGHI-SFHVURJKSA-N 2 0 340.508 1.523 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@](O)(CC)C(F)(F)F)CC1 ZINC000905108981 592410070 /nfs/dbraw/zinc/41/00/70/592410070.db2.gz AOPCKVFTHJQRJB-KGLIPLIRSA-N 2 0 325.419 1.553 20 0 EDADRP Cn1ccnc1CNc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000908350051 592457059 /nfs/dbraw/zinc/45/70/59/592457059.db2.gz UXSDONLFPWMMPF-DOTOQJQBSA-N 2 0 339.443 1.808 20 0 EDADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908327808 592462625 /nfs/dbraw/zinc/46/26/25/592462625.db2.gz GGQPVMBNSBZMJL-SFHVURJKSA-N 2 0 334.464 1.889 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])c1 ZINC000904295424 592470616 /nfs/dbraw/zinc/47/06/16/592470616.db2.gz POIYSFLXJJTION-RDTXWAMCSA-N 2 0 332.448 1.972 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](OCC[NH+]3CCCC3)C2)C1 ZINC000907017841 592481562 /nfs/dbraw/zinc/48/15/62/592481562.db2.gz OLIZFZHPVNIGHL-ROUUACIJSA-N 2 0 337.508 1.822 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000905356641 592505514 /nfs/dbraw/zinc/50/55/14/592505514.db2.gz PVXNYOHWQRREOA-MRXNPFEDSA-N 2 0 343.537 1.512 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334268 592509043 /nfs/dbraw/zinc/50/90/43/592509043.db2.gz OKXCVSWMZHQNPD-AWEZNQCLSA-N 2 0 331.526 1.416 20 0 EDADRP CC[NH+](CC)CC1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905337579 592509863 /nfs/dbraw/zinc/50/98/63/592509863.db2.gz HNUMGDHEKWYYIM-UHFFFAOYSA-N 2 0 331.526 1.370 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907090031 592516104 /nfs/dbraw/zinc/51/61/04/592516104.db2.gz HOQRCPVFCOSGKP-IKGGRYGDSA-N 2 0 337.508 1.961 20 0 EDADRP OC[C@H](C[NH2+]C[C@H](O)CN1CCc2ccccc2C1)Cc1ccoc1 ZINC000905419617 592525362 /nfs/dbraw/zinc/52/53/62/592525362.db2.gz PSEQCXCRAFFQGT-PXNSSMCTSA-N 2 0 344.455 1.439 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000908605899 592551286 /nfs/dbraw/zinc/55/12/86/592551286.db2.gz BNDMRYGJRGKPJC-SFHVURJKSA-N 2 0 343.487 1.550 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000905632600 592591719 /nfs/dbraw/zinc/59/17/19/592591719.db2.gz FYDAESJGLFWDLB-KFWWJZLASA-N 2 0 342.578 1.515 20 0 EDADRP Cc1cc(N2CC[NH+](C[C@@H](O)C3(O)CCCC3)CC2)nc(C(C)C)n1 ZINC000905890751 592669304 /nfs/dbraw/zinc/66/93/04/592669304.db2.gz CYMOHLTUGYADFJ-MRXNPFEDSA-N 2 0 348.491 1.696 20 0 EDADRP CCCN1CCN(C(=O)c2coc(CN3CC[C@H](OC)C3)n2)CC1 ZINC000906553795 592850078 /nfs/dbraw/zinc/85/00/78/592850078.db2.gz PLEDLQGRGRDSSM-AWEZNQCLSA-N 2 0 336.436 1.063 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1)[NH+](C)C ZINC000910860309 592897628 /nfs/dbraw/zinc/89/76/28/592897628.db2.gz AYOXBILOFKIFOT-KRWDZBQOSA-N 2 0 327.513 1.514 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC000911664189 592973257 /nfs/dbraw/zinc/97/32/57/592973257.db2.gz IXPWTOLKWPZDJH-GXTWGEPZSA-N 2 0 328.416 1.591 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911310410 592985815 /nfs/dbraw/zinc/98/58/15/592985815.db2.gz VHXQIVRAAIHVJO-CSLYMUCUSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736145380 592990943 /nfs/dbraw/zinc/99/09/43/592990943.db2.gz UEXGMICAKNIFQL-LBPRGKRZSA-N 2 0 348.426 1.283 20 0 EDADRP C[NH2+]C1(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CCC1 ZINC000911734759 592992560 /nfs/dbraw/zinc/99/25/60/592992560.db2.gz CHIVVHFIWONGRM-UHFFFAOYSA-N 2 0 331.416 1.676 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000912303045 593082753 /nfs/dbraw/zinc/08/27/53/593082753.db2.gz HTAHHYYCFAJJFK-IRXDYDNUSA-N 2 0 326.529 1.497 20 0 EDADRP Cn1ncc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000817933449 593650004 /nfs/dbraw/zinc/65/00/04/593650004.db2.gz FBBGXXIRLVLTOY-AEFFLSMTSA-N 2 0 327.432 1.593 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)N1CC[NH2+]CC1 ZINC000817974069 593652952 /nfs/dbraw/zinc/65/29/52/593652952.db2.gz XZCJRYWRRYYPHF-CYBMUJFWSA-N 2 0 337.386 1.098 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818974350 593731660 /nfs/dbraw/zinc/73/16/60/593731660.db2.gz LYQSDKKVXIZPIZ-OAHLLOKOSA-N 2 0 329.485 1.584 20 0 EDADRP CCS(=O)(=O)CC[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000818986120 593732308 /nfs/dbraw/zinc/73/23/08/593732308.db2.gz GKPMUHFSBBKHIS-UHFFFAOYSA-N 2 0 330.519 1.984 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000819034961 593734968 /nfs/dbraw/zinc/73/49/68/593734968.db2.gz SUGORGYGOWRXRO-LRDDRELGSA-N 2 0 329.847 1.738 20 0 EDADRP C[NH+]1CCC(Oc2ccc(C[NH2+]CCS(C)(=O)=O)cc2)CC1 ZINC000819299268 593749345 /nfs/dbraw/zinc/74/93/45/593749345.db2.gz VXUCLWDBHRVJIG-UHFFFAOYSA-N 2 0 326.462 1.294 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000819325635 593750832 /nfs/dbraw/zinc/75/08/32/593750832.db2.gz GQYWENHGQMYEOL-QQFBHYJXSA-N 2 0 341.496 1.821 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819367030 593752071 /nfs/dbraw/zinc/75/20/71/593752071.db2.gz VQZLGDSIROOFHP-CABCVRRESA-N 2 0 329.485 1.584 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000820075058 593788592 /nfs/dbraw/zinc/78/85/92/593788592.db2.gz RWZXMMNOSOXCHE-INIZCTEOSA-N 2 0 341.544 1.242 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000821501611 593847886 /nfs/dbraw/zinc/84/78/86/593847886.db2.gz ZVXQZKOJAHWWMB-AWEZNQCLSA-N 2 0 336.484 1.687 20 0 EDADRP O=C(C[NH+]1CCCC1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000821816506 593947701 /nfs/dbraw/zinc/94/77/01/593947701.db2.gz ODGRUMCICKIORG-GOSISDBHSA-N 2 0 331.460 1.355 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188659 593986150 /nfs/dbraw/zinc/98/61/50/593986150.db2.gz BIIZGEOKDCLNRV-QGZVFWFLSA-N 2 0 344.463 1.799 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)c(F)c1)N1CC[NH+](C)CC1 ZINC000824568844 594039959 /nfs/dbraw/zinc/03/99/59/594039959.db2.gz DPYOPSIUVGASRZ-CHWSQXEVSA-N 2 0 347.442 1.292 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824590818 594043983 /nfs/dbraw/zinc/04/39/83/594043983.db2.gz DLROIJOTXBQTTM-AWEZNQCLSA-N 2 0 329.452 1.155 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)C1 ZINC000825392853 594177664 /nfs/dbraw/zinc/17/76/64/594177664.db2.gz XFQQGQCCWAIZPF-AWEZNQCLSA-N 2 0 339.480 1.251 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccnc(-c3nn[nH]n3)c2)C1 ZINC000825412325 594181084 /nfs/dbraw/zinc/18/10/84/594181084.db2.gz OKKSDLAYYOSGQX-OAHLLOKOSA-N 2 0 345.451 1.194 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2OCC3)C[C@H]1C[NH+](C)C ZINC000827893002 594299143 /nfs/dbraw/zinc/29/91/43/594299143.db2.gz ZQXFQROEUGIMHQ-HZPDHXFCSA-N 2 0 331.460 1.433 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)CC[C@H]21 ZINC000827256766 594656865 /nfs/dbraw/zinc/65/68/65/594656865.db2.gz XRAUMOXUOMMOLE-IXDOHACOSA-N 2 0 337.533 1.757 20 0 EDADRP CCO[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756752 594699897 /nfs/dbraw/zinc/69/98/97/594699897.db2.gz KYQBQTOFTXVRRB-MSOLQXFVSA-N 2 0 348.491 1.377 20 0 EDADRP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000831999049 594718061 /nfs/dbraw/zinc/71/80/61/594718061.db2.gz YDYZAKGTPXDUJJ-KRWDZBQOSA-N 2 0 327.444 1.039 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000841018559 594840104 /nfs/dbraw/zinc/84/01/04/594840104.db2.gz WOJCWIPVBBHAMD-YOEHRIQHSA-N 2 0 331.464 1.782 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000841018399 594840117 /nfs/dbraw/zinc/84/01/17/594840117.db2.gz VACOCGOEDUHTIB-INIZCTEOSA-N 2 0 331.464 1.702 20 0 EDADRP Cc1ccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000841018907 594840234 /nfs/dbraw/zinc/84/02/34/594840234.db2.gz ZIDVMNLRXYEOAW-QGZVFWFLSA-N 2 0 330.476 1.314 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000841386212 594891226 /nfs/dbraw/zinc/89/12/26/594891226.db2.gz IJWQKLSGXHARFH-RBUKOAKNSA-N 2 0 343.471 1.414 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000836226600 594940312 /nfs/dbraw/zinc/94/03/12/594940312.db2.gz HSUZBLOYZJUGMN-INIZCTEOSA-N 2 0 345.491 1.902 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841801300 594955297 /nfs/dbraw/zinc/95/52/97/594955297.db2.gz PRBUAVBZIXEFDQ-QGZVFWFLSA-N 2 0 334.464 1.098 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000841851545 594965769 /nfs/dbraw/zinc/96/57/69/594965769.db2.gz XWMVWQQETCWORJ-MSOLQXFVSA-N 2 0 331.460 1.491 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000841924704 594983012 /nfs/dbraw/zinc/98/30/12/594983012.db2.gz BXKMEIQDXYEFRC-UHFFFAOYSA-N 2 0 339.443 1.615 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000841926754 594983352 /nfs/dbraw/zinc/98/33/52/594983352.db2.gz DWTCFHMQLSONPH-ZWKOTPCHSA-N 2 0 330.476 1.719 20 0 EDADRP COc1cc(-c2noc(C3(C[NH3+])CC3)n2)ccc1OCC[NH+](C)C ZINC000843202371 595032121 /nfs/dbraw/zinc/03/21/21/595032121.db2.gz RCISLIWPGOXTEM-UHFFFAOYSA-N 2 0 332.404 1.676 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC4([NH3+])CCC4)n3)cn2)CC1 ZINC000843207020 595035065 /nfs/dbraw/zinc/03/50/65/595035065.db2.gz ICZUNTLANQZZHG-UHFFFAOYSA-N 2 0 342.447 1.697 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)/C=C/c1cccc(Cl)c1 ZINC000842480782 595117033 /nfs/dbraw/zinc/11/70/33/595117033.db2.gz CUAIUGPCEOXPLR-IZZDOVSWSA-N 2 0 331.869 1.640 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c(F)c1 ZINC000846198992 595172595 /nfs/dbraw/zinc/17/25/95/595172595.db2.gz AMPCFQICLNZTDO-FUHWJXTLSA-N 2 0 342.418 1.921 20 0 EDADRP CN(C(=O)c1ccnc(C[NH3+])c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182156 595294504 /nfs/dbraw/zinc/29/45/04/595294504.db2.gz GKHOOGHDINJGIU-UHFFFAOYSA-N 2 0 328.416 1.757 20 0 EDADRP [NH3+]CCCCCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000844185631 595295929 /nfs/dbraw/zinc/29/59/29/595295929.db2.gz QUJBVRFCQWXCFF-UHFFFAOYSA-N 2 0 346.475 1.970 20 0 EDADRP Cc1cc(NC(=O)CO[C@H]2CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000844185267 595296058 /nfs/dbraw/zinc/29/60/58/595296058.db2.gz FBYFABMBHAVFFP-HNNXBMFYSA-N 2 0 335.452 1.165 20 0 EDADRP c1ccc(CCc2nnc3n2CCN(CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000844221162 595306312 /nfs/dbraw/zinc/30/63/12/595306312.db2.gz JCNASBINAFYJRS-KRWDZBQOSA-N 2 0 325.460 1.879 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065089 595477088 /nfs/dbraw/zinc/47/70/88/595477088.db2.gz OPDFKMZHBCNETF-GDBMZVCRSA-N 2 0 349.454 1.068 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000849071426 595477826 /nfs/dbraw/zinc/47/78/26/595477826.db2.gz SPBGCNKCWZBSAQ-AWEZNQCLSA-N 2 0 339.484 1.596 20 0 EDADRP [NH2+]=C(NCC1(CO)CCC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849079772 595478993 /nfs/dbraw/zinc/47/89/93/595478993.db2.gz LPKYSJIRSUMMBA-UHFFFAOYSA-N 2 0 330.476 1.928 20 0 EDADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000849084949 595479483 /nfs/dbraw/zinc/47/94/83/595479483.db2.gz FAUIWIUVGIOXNO-KRWDZBQOSA-N 2 0 336.436 1.487 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000849093602 595480355 /nfs/dbraw/zinc/48/03/55/595480355.db2.gz BLJZMXXRRUEKNN-AEFFLSMTSA-N 2 0 346.475 1.523 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@@H]1COc2ccccc2O1 ZINC000849096569 595481381 /nfs/dbraw/zinc/48/13/81/595481381.db2.gz VSNYQHYBFRIECQ-LSDHHAIUSA-N 2 0 332.448 1.815 20 0 EDADRP CC(C)(C)NC(=[NH2+])NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000849102859 595482291 /nfs/dbraw/zinc/48/22/91/595482291.db2.gz CMZFVEVNRPNDBS-UHFFFAOYSA-N 2 0 325.501 1.526 20 0 EDADRP CN1CCC[NH+]=C1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000849111718 595484064 /nfs/dbraw/zinc/48/40/64/595484064.db2.gz BSCXSEFJOAHXOH-KRWDZBQOSA-N 2 0 343.475 1.165 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000845444764 595498568 /nfs/dbraw/zinc/49/85/68/595498568.db2.gz FOTCNKXXDKGTTO-KBPBESRZSA-N 2 0 342.484 1.042 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+](C)C2CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849510247 595554510 /nfs/dbraw/zinc/55/45/10/595554510.db2.gz PSKKINMMQQVBLE-QZTJIDSGSA-N 2 0 347.507 1.444 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849541607 595560559 /nfs/dbraw/zinc/56/05/59/595560559.db2.gz PKQNZFMAKDHNIF-BHYGNILZSA-N 2 0 335.496 1.302 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849549745 595562157 /nfs/dbraw/zinc/56/21/57/595562157.db2.gz WNKZXMOAZJFNDF-JQHSSLGASA-N 2 0 347.507 1.256 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000852829325 595563930 /nfs/dbraw/zinc/56/39/30/595563930.db2.gz HYHTZFMCAYWKKT-CWRNSKLLSA-N 2 0 325.416 1.054 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000852859073 595580990 /nfs/dbraw/zinc/58/09/90/595580990.db2.gz NUPUNHQCNDHECT-HOTGVXAUSA-N 2 0 332.448 1.159 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)cn1 ZINC000849607966 595594755 /nfs/dbraw/zinc/59/47/55/595594755.db2.gz MMBYQIWLHQDWOU-YESZJQIVSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888221 595600563 /nfs/dbraw/zinc/60/05/63/595600563.db2.gz VNVQCWDYFHHLQE-CWRNSKLLSA-N 2 0 330.432 1.117 20 0 EDADRP C[C@@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000853741446 595868600 /nfs/dbraw/zinc/86/86/00/595868600.db2.gz ICXGHNBULFZZRO-HOCLYGCPSA-N 2 0 326.485 1.269 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000856280682 595941116 /nfs/dbraw/zinc/94/11/16/595941116.db2.gz BESQISRPWKEKGX-IRXDYDNUSA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849438 595946574 /nfs/dbraw/zinc/94/65/74/595946574.db2.gz UPKWRLOVSZSNPK-BZUAXINKSA-N 2 0 343.512 1.923 20 0 EDADRP CC(C)CNC(=O)CCC[NH+]1CCN(C2=NC[C@H](C)S2)CC1 ZINC000851851324 595947200 /nfs/dbraw/zinc/94/72/00/595947200.db2.gz LVBKLCOMJNDOHB-AWEZNQCLSA-N 2 0 326.510 1.648 20 0 EDADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956707 595985717 /nfs/dbraw/zinc/98/57/17/595985717.db2.gz ZVYXHIMMNJFGMB-ZBFHGGJFSA-N 2 0 329.485 1.534 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000861552464 596027772 /nfs/dbraw/zinc/02/77/72/596027772.db2.gz NRSPHINSIIGSJQ-JYJNAYRXSA-N 2 0 348.491 1.784 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596029 596029221 /nfs/dbraw/zinc/02/92/21/596029221.db2.gz PTKHKIFZFCMJQA-RHSMWYFYSA-N 2 0 334.464 1.463 20 0 EDADRP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000852092398 596041205 /nfs/dbraw/zinc/04/12/05/596041205.db2.gz UFIPDNRUHRHAGW-LSDHHAIUSA-N 2 0 334.397 1.989 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000861670093 596061879 /nfs/dbraw/zinc/06/18/79/596061879.db2.gz JCQHGXLLZSOFLJ-UHFFFAOYSA-N 2 0 348.491 1.310 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000852629484 596212865 /nfs/dbraw/zinc/21/28/65/596212865.db2.gz CJNMXHOEABDYEX-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP COC(=O)/C=C\c1ccc(OCC[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000866667508 596285462 /nfs/dbraw/zinc/28/54/62/596285462.db2.gz OJIFMFJDBHNWSB-DAXSKMNVSA-N 2 0 334.416 1.037 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000866666738 596285562 /nfs/dbraw/zinc/28/55/62/596285562.db2.gz VUKUPNGBDYKSKP-ZWKOTPCHSA-N 2 0 331.460 1.546 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cnc3ccccc3c2)C1 ZINC000866711060 596304070 /nfs/dbraw/zinc/30/40/70/596304070.db2.gz AWQCPDLSNYOXPP-BPQIPLTHSA-N 2 0 338.411 1.602 20 0 EDADRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(Br)n1 ZINC000862367901 596312171 /nfs/dbraw/zinc/31/21/71/596312171.db2.gz YXZIRCGWFXCTCO-UHFFFAOYSA-N 2 0 332.290 1.108 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)[C@@H](c2ccccc2)N(C)C)C[C@@H]1C ZINC000122346969 596351597 /nfs/dbraw/zinc/35/15/97/596351597.db2.gz BTNOUORZTXVYBJ-SOLBZPMBSA-N 2 0 333.476 1.857 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908689 596399938 /nfs/dbraw/zinc/39/99/38/596399938.db2.gz URYAPPXYDVVISR-GLJUWKHASA-N 2 0 337.414 1.982 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[NH2+]1 ZINC000870942234 596413562 /nfs/dbraw/zinc/41/35/62/596413562.db2.gz IZPHMSIHEKSXHK-WQAKAFBOSA-N 2 0 326.238 1.706 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870942745 596414077 /nfs/dbraw/zinc/41/40/77/596414077.db2.gz UDRDXJUNGOHSDN-XDTLVQLUSA-N 2 0 326.238 1.706 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000870944971 596414702 /nfs/dbraw/zinc/41/47/02/596414702.db2.gz GKUFCBMXBODHKJ-IYBDPMFKSA-N 2 0 346.475 1.427 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000870965451 596420526 /nfs/dbraw/zinc/42/05/26/596420526.db2.gz QSBXOUBLSXVJNZ-BHYNMZESSA-N 2 0 326.238 1.477 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1C[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000870972077 596422909 /nfs/dbraw/zinc/42/29/09/596422909.db2.gz QSBXOUBLSXVJNZ-GAJTVXKRSA-N 2 0 326.238 1.477 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1(C)C ZINC000870993722 596432549 /nfs/dbraw/zinc/43/25/49/596432549.db2.gz KZSDDKVEUCKMAK-JEBQAFNWSA-N 2 0 325.497 1.742 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)C2CCCCC2)C[C@H]1C[NH+](C)C ZINC000867588660 596448132 /nfs/dbraw/zinc/44/81/32/596448132.db2.gz HJWGXVFMAHNDNA-HUUCEWRRSA-N 2 0 331.526 1.320 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000871280240 596519733 /nfs/dbraw/zinc/51/97/33/596519733.db2.gz FFHLFQSOZHGERG-ROUUACIJSA-N 2 0 331.460 1.264 20 0 EDADRP CSCCCNC(=S)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000865245370 596522277 /nfs/dbraw/zinc/52/22/77/596522277.db2.gz JGYQSLYGXKYNTC-ZIAGYGMSSA-N 2 0 332.583 1.285 20 0 EDADRP CC[C@@H](CC(F)F)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863546732 596613800 /nfs/dbraw/zinc/61/38/00/596613800.db2.gz FNNDWDRLMAYYTP-YUTCNCBUSA-N 2 0 331.407 1.925 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000868096552 596684531 /nfs/dbraw/zinc/68/45/31/596684531.db2.gz QCTXPAAAUVOZOE-CALCHBBNSA-N 2 0 343.475 1.797 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000868167852 596708237 /nfs/dbraw/zinc/70/82/37/596708237.db2.gz NBJLJENJSQUFMT-HNNXBMFYSA-N 2 0 348.447 1.135 20 0 EDADRP C[C@H]1CCCc2ncc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n21 ZINC000870016926 596708722 /nfs/dbraw/zinc/70/87/22/596708722.db2.gz BHZIZFGYZUAVOH-ARFHVFGLSA-N 2 0 347.507 1.592 20 0 EDADRP C[C@H]1Cc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc2O1 ZINC000870017383 596709482 /nfs/dbraw/zinc/70/94/82/596709482.db2.gz MFIWTUZUWFNLID-BMGDILEWSA-N 2 0 345.487 1.821 20 0 EDADRP C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000870017112 596709535 /nfs/dbraw/zinc/70/95/35/596709535.db2.gz FYLSMIVZJPHGRO-CGTJXYLNSA-N 2 0 332.492 1.773 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(F)(F)C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870019802 596711398 /nfs/dbraw/zinc/71/13/98/596711398.db2.gz QWBFAQQHKLGPLE-ZIAGYGMSSA-N 2 0 347.450 1.246 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3nccnc32)C[C@H]1C[NH+](C)C ZINC000870019924 596711431 /nfs/dbraw/zinc/71/14/31/596711431.db2.gz VZHHYRIYZKEKGL-HUUCEWRRSA-N 2 0 341.459 1.441 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3ccccn23)C[C@H]1C[NH+](C)C ZINC000870022438 596712458 /nfs/dbraw/zinc/71/24/58/596712458.db2.gz SCOKFKCFTUSNFY-HUUCEWRRSA-N 2 0 329.448 1.146 20 0 EDADRP COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1 ZINC000870021963 596712644 /nfs/dbraw/zinc/71/26/44/596712644.db2.gz WYKQTMYMUIKROD-HZPDHXFCSA-N 2 0 333.476 1.815 20 0 EDADRP CC(=O)Nc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870025257 596714603 /nfs/dbraw/zinc/71/46/03/596714603.db2.gz OVFHSLWLHKWIEM-IAGOWNOFSA-N 2 0 346.475 1.456 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C[NH+]1CCN(C)CC1 ZINC000868185698 596715292 /nfs/dbraw/zinc/71/52/92/596715292.db2.gz YRYWQZOQQKHNCP-JCGIZDLHSA-N 2 0 345.491 1.506 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000868227182 596735625 /nfs/dbraw/zinc/73/56/25/596735625.db2.gz VTGUXZXGNMJSJC-WCXIOVBPSA-N 2 0 342.443 1.183 20 0 EDADRP Cc1cc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccn1 ZINC000875631398 596926789 /nfs/dbraw/zinc/92/67/89/596926789.db2.gz JRHQEIVMWZBUET-IAGOWNOFSA-N 2 0 333.480 1.271 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CC3(CCC3)CO2)CC1 ZINC000888684041 597018745 /nfs/dbraw/zinc/01/87/45/597018745.db2.gz SZRDLEKLTOFJHT-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC12CCC2 ZINC000872861991 597100591 /nfs/dbraw/zinc/10/05/91/597100591.db2.gz BOCPEPKGVDUGIN-QGZVFWFLSA-N 2 0 343.475 1.836 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CCC[C@H]2O1 ZINC000876349190 597175730 /nfs/dbraw/zinc/17/57/30/597175730.db2.gz ACBDCLIHGITZTP-OWCLPIDISA-N 2 0 326.485 1.079 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873111701 597199579 /nfs/dbraw/zinc/19/95/79/597199579.db2.gz FWJRSXCUDDOLLP-YLFCFFPRSA-N 2 0 342.443 1.135 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000876519085 597227831 /nfs/dbraw/zinc/22/78/31/597227831.db2.gz RTIOPYHROIPWDU-CQSZACIVSA-N 2 0 345.443 1.876 20 0 EDADRP CC1(C)[C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C[C@@H]1[NH3+] ZINC000876518111 597227889 /nfs/dbraw/zinc/22/78/89/597227889.db2.gz AKRDZGMKOPEDSK-HOTGVXAUSA-N 2 0 345.443 1.907 20 0 EDADRP Cc1cc(N2CC[C@H]([NH2+]Cc3cc4c(s3)CC[NH2+]C4)C2=O)n(C)n1 ZINC000873213446 597229758 /nfs/dbraw/zinc/22/97/58/597229758.db2.gz ZQROEJDANWPSFN-AWEZNQCLSA-N 2 0 345.472 1.331 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC[C@@H]2CCOC2=O)CC[NH2+]CC1 ZINC000873281811 597247375 /nfs/dbraw/zinc/24/73/75/597247375.db2.gz BWMIHLBZWFPQMD-UONOGXRCSA-N 2 0 326.437 1.241 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC[C@@H]2CCOC2=O)CC[NH2+]CC1 ZINC000873281812 597247517 /nfs/dbraw/zinc/24/75/17/597247517.db2.gz BWMIHLBZWFPQMD-ZIAGYGMSSA-N 2 0 326.437 1.241 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000876713670 597300075 /nfs/dbraw/zinc/30/00/75/597300075.db2.gz MHYJHHKQUOCVBB-LJQANCHMSA-N 2 0 349.475 1.150 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000876721856 597304850 /nfs/dbraw/zinc/30/48/50/597304850.db2.gz XKLPGXINCXWAEA-UHFFFAOYSA-N 2 0 327.432 1.405 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876725086 597306760 /nfs/dbraw/zinc/30/67/60/597306760.db2.gz DTTWMYJJAKFHGV-DLBZAZTESA-N 2 0 331.460 1.955 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000876743785 597318109 /nfs/dbraw/zinc/31/81/09/597318109.db2.gz IQIUODLEDYESLX-AWEZNQCLSA-N 2 0 345.451 1.126 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876747181 597319560 /nfs/dbraw/zinc/31/95/60/597319560.db2.gz XQIDFPGYUXXOOB-XCLUONLBSA-N 2 0 348.535 1.559 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)C1CC1 ZINC000875208530 597332359 /nfs/dbraw/zinc/33/23/59/597332359.db2.gz VQHCJGHRPUHQSM-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876770900 597332374 /nfs/dbraw/zinc/33/23/74/597332374.db2.gz KKLIEJFCMFRYEI-CQSZACIVSA-N 2 0 347.381 1.790 20 0 EDADRP O=C([C@@H](F)[C@H]1CC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774121 597334832 /nfs/dbraw/zinc/33/48/32/597334832.db2.gz MAECBNXKKBTCCH-HOCLYGCPSA-N 2 0 327.444 1.037 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc3c(cnn3C)c2)C1 ZINC000876781711 597338600 /nfs/dbraw/zinc/33/86/00/597338600.db2.gz MORDZGJHEGAMLA-KRWDZBQOSA-N 2 0 331.464 1.901 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876877633 597366037 /nfs/dbraw/zinc/36/60/37/597366037.db2.gz YRHFTSKBWOVCRC-CHYADLBTSA-N 2 0 334.508 1.028 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1(F)F ZINC000876925854 597386912 /nfs/dbraw/zinc/38/69/12/597386912.db2.gz FGOSVENVAFSUDH-YIYPIFLZSA-N 2 0 327.350 1.309 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876945804 597392456 /nfs/dbraw/zinc/39/24/56/597392456.db2.gz JKVKSLIODXPVMC-KRWDZBQOSA-N 2 0 341.459 1.765 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875346950 597394044 /nfs/dbraw/zinc/39/40/44/597394044.db2.gz TZUORMDQUUHJCX-SOUVJXGZSA-N 2 0 326.485 1.004 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000875354585 597396914 /nfs/dbraw/zinc/39/69/14/597396914.db2.gz QRJOWIBDOWJETH-OFLPRAFFSA-N 2 0 338.496 1.149 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978899 597404072 /nfs/dbraw/zinc/40/40/72/597404072.db2.gz QNTDLIBVFPIWOZ-VXGBXAGGSA-N 2 0 326.441 1.430 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCc3c[nH]nc32)C[C@H]1C[NH+](C)C ZINC000875390298 597410504 /nfs/dbraw/zinc/41/05/04/597410504.db2.gz AQLPBABKOWXWJW-OAGGEKHMSA-N 2 0 348.495 1.168 20 0 EDADRP COCCC1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875395356 597412276 /nfs/dbraw/zinc/41/22/76/597412276.db2.gz DNHGKTBKFSYFRM-HZPDHXFCSA-N 2 0 340.512 1.184 20 0 EDADRP C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000877143422 597442337 /nfs/dbraw/zinc/44/23/37/597442337.db2.gz OKJZPDGWYBXCOH-CGTJXYLNSA-N 3 0 338.540 1.210 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C[C@H]2[NH3+])cc1 ZINC000877237910 597474182 /nfs/dbraw/zinc/47/41/82/597474182.db2.gz OTMRMASATVKVNQ-IHETXDGRSA-N 2 0 331.460 1.821 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877360471 597501040 /nfs/dbraw/zinc/50/10/40/597501040.db2.gz YEJOXUXVGYCYEK-TZMCWYRMSA-N 2 0 329.366 1.658 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877402803 597510709 /nfs/dbraw/zinc/51/07/09/597510709.db2.gz IRXZYGVDPUHKJB-BBRMVZONSA-N 2 0 331.464 1.529 20 0 EDADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)C1CCCC1 ZINC000877445343 597516610 /nfs/dbraw/zinc/51/66/10/597516610.db2.gz PVHUYNOBROJYMO-XPYUAMARSA-N 2 0 335.492 1.369 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000877450909 597517338 /nfs/dbraw/zinc/51/73/38/597517338.db2.gz HVDLYAKOSOEVHF-PMPSAXMXSA-N 2 0 331.464 1.425 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451220 597517371 /nfs/dbraw/zinc/51/73/71/597517371.db2.gz KQFMXDILALVGSW-HUUCEWRRSA-N 2 0 334.489 1.919 20 0 EDADRP O[C@H](C[C@@H](O)c1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877969761 597567121 /nfs/dbraw/zinc/56/71/21/597567121.db2.gz HDJRTARFMMSWMS-WOJBJXKFSA-N 2 0 348.487 1.515 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CC2(CO1)CCOCC2 ZINC000878316211 597594983 /nfs/dbraw/zinc/59/49/83/597594983.db2.gz CZVVBDPTSXMPMO-KRWDZBQOSA-N 2 0 325.497 1.141 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000878356151 597597500 /nfs/dbraw/zinc/59/75/00/597597500.db2.gz NKTPQPQHPLVZBT-INIZCTEOSA-N 2 0 347.459 1.709 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580145 597642337 /nfs/dbraw/zinc/64/23/37/597642337.db2.gz RVBSTOAPEWUNKA-AQNXPRMDSA-N 2 0 329.488 1.649 20 0 EDADRP C[C@@H](C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000878619392 597657013 /nfs/dbraw/zinc/65/70/13/597657013.db2.gz LQOTZCAFTPHSEL-IRXDYDNUSA-N 2 0 347.503 1.683 20 0 EDADRP COC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000883188544 597681067 /nfs/dbraw/zinc/68/10/67/597681067.db2.gz LXMDXPGMWNWBOM-RYRKJORJSA-N 2 0 325.497 1.186 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCCOC1 ZINC000883208930 597685711 /nfs/dbraw/zinc/68/57/11/597685711.db2.gz RELMEHDBJQJTHM-DLBZAZTESA-N 2 0 337.464 1.553 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702505 597694779 /nfs/dbraw/zinc/69/47/79/597694779.db2.gz NLUVTNCPRDBARM-AWEZNQCLSA-N 2 0 326.485 1.520 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCC3(CCOCC3)CO1)CCO2 ZINC000878769392 597706218 /nfs/dbraw/zinc/70/62/18/597706218.db2.gz OOLKYBNOZQWURD-KRWDZBQOSA-N 2 0 338.492 1.759 20 0 EDADRP C[N@H+](CCN1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1)Cc1ccccc1 ZINC000883423389 597742022 /nfs/dbraw/zinc/74/20/22/597742022.db2.gz JXVZMRPAMWWBJM-OALUTQOASA-N 2 0 334.483 1.436 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883510049 597782226 /nfs/dbraw/zinc/78/22/26/597782226.db2.gz HCJFREWMSSPCGG-RKVPGOIHSA-N 2 0 343.475 1.784 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883585720 597814487 /nfs/dbraw/zinc/81/44/87/597814487.db2.gz WIZGRFKEVHEOPS-YOEHRIQHSA-N 2 0 331.464 1.830 20 0 EDADRP COCC[N@H+](C[C@H](O)COc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879121597 597825540 /nfs/dbraw/zinc/82/55/40/597825540.db2.gz CZLTUDZCVIXHJL-SFHVURJKSA-N 2 0 336.476 1.717 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000880099502 597841245 /nfs/dbraw/zinc/84/12/45/597841245.db2.gz FIXYRVIWBJBFRJ-LLVKDONJSA-N 2 0 344.381 1.961 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC4(CC[NH+](C)CC4)CC3)C2=O)cn1 ZINC000879248746 597864054 /nfs/dbraw/zinc/86/40/54/597864054.db2.gz ZUCIORQMYKZYPD-KRWDZBQOSA-N 2 0 345.491 1.723 20 0 EDADRP CCC[N@H+](C)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882379331 597950936 /nfs/dbraw/zinc/95/09/36/597950936.db2.gz WJGXZJOWGYTIFJ-UHFFFAOYSA-N 2 0 347.503 1.862 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000884016714 597969114 /nfs/dbraw/zinc/96/91/14/597969114.db2.gz CMEBDFXIXZZCKP-ZWNOBZJWSA-N 2 0 326.238 1.565 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CC[N@@H+]3CC)CC2)CC1 ZINC000882491036 597975773 /nfs/dbraw/zinc/97/57/73/597975773.db2.gz ADHSIXUTCFQDMG-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCO1 ZINC000884042836 597976438 /nfs/dbraw/zinc/97/64/38/597976438.db2.gz JITGIKHUFTVPAV-BIMULSAOSA-N 2 0 342.237 1.024 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000884180012 598016871 /nfs/dbraw/zinc/01/68/71/598016871.db2.gz JNTFBZVOQJBWTF-SFHVURJKSA-N 2 0 349.475 1.371 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000884207294 598029149 /nfs/dbraw/zinc/02/91/49/598029149.db2.gz RKQVUVXNFAJUMI-OAHLLOKOSA-N 2 0 337.489 1.846 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000884284750 598054143 /nfs/dbraw/zinc/05/41/43/598054143.db2.gz RJYCBBPFJMRGND-LJQANCHMSA-N 2 0 339.439 1.902 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000884291172 598057126 /nfs/dbraw/zinc/05/71/26/598057126.db2.gz RLGISFIESHDOFM-KRWDZBQOSA-N 2 0 331.460 1.747 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000884325614 598068097 /nfs/dbraw/zinc/06/80/97/598068097.db2.gz VZAWXKGAKILBDC-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@H]1CC2(CN1C(=O)c1ccnc(N3CC[NH2+]CC3)c1)CC[NH2+]CC2 ZINC000884370519 598084351 /nfs/dbraw/zinc/08/43/51/598084351.db2.gz MGLFYABSKHQSEJ-HNNXBMFYSA-N 2 0 343.475 1.095 20 0 EDADRP C[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CCC1(C)C ZINC000884464877 598113030 /nfs/dbraw/zinc/11/30/30/598113030.db2.gz FNNXEQNINNZTCA-MRXNPFEDSA-N 2 0 328.460 1.980 20 0 EDADRP CCCc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000130566316 598115284 /nfs/dbraw/zinc/11/52/84/598115284.db2.gz NEEXYCFSFAJAIY-UHFFFAOYSA-N 2 0 348.491 1.529 20 0 EDADRP CCC1([NH3+])CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000884488359 598118686 /nfs/dbraw/zinc/11/86/86/598118686.db2.gz UHQZCMAWJSCQEJ-CQSZACIVSA-N 2 0 340.512 1.199 20 0 EDADRP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC000992879533 695423945 /nfs/dbraw/zinc/42/39/45/695423945.db2.gz UMTPKHQYHDCNIO-KBAYOESNSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)o1 ZINC000992911080 695447051 /nfs/dbraw/zinc/44/70/51/695447051.db2.gz VXQPGLYIDIGZLD-ARFHVFGLSA-N 2 0 347.463 1.191 20 0 EDADRP Cc1cc(C)n(CCN2CC(NC(=O)C3CC[NH+](C(C)C)CC3)C2)n1 ZINC001031188571 695707161 /nfs/dbraw/zinc/70/71/61/695707161.db2.gz SGWXCBYEWYULAQ-UHFFFAOYSA-N 2 0 347.507 1.421 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000915154013 695752776 /nfs/dbraw/zinc/75/27/76/695752776.db2.gz RJNFBRNIZAQYMB-JLOCXQCDSA-N 2 0 340.512 1.106 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCn1cccn1 ZINC000993527443 696206475 /nfs/dbraw/zinc/20/64/75/696206475.db2.gz JBJVRGDFROHQTA-SJORKVTESA-N 2 0 345.491 1.481 20 0 EDADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993980700 696480444 /nfs/dbraw/zinc/48/04/44/696480444.db2.gz BPGUIARICAVKMB-NVXWUHKLSA-N 2 0 335.496 1.828 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C(C)C ZINC000916160594 696631427 /nfs/dbraw/zinc/63/14/27/696631427.db2.gz CDKIUEHHWYCCCL-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710279 696644325 /nfs/dbraw/zinc/64/43/25/696644325.db2.gz IWVHYNUBQTXPLW-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940008330 700109901 /nfs/dbraw/zinc/10/99/01/700109901.db2.gz JCDRGZIPMYLJSA-MRXNPFEDSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000940008535 700110425 /nfs/dbraw/zinc/11/04/25/700110425.db2.gz ROSYCHCMDYSSGI-INIZCTEOSA-N 2 0 331.464 1.350 20 0 EDADRP C[C@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)[C@H](C)N1CCOCC1 ZINC000917015731 696877665 /nfs/dbraw/zinc/87/76/65/696877665.db2.gz MEGCQCIDPSOYFT-KBPBESRZSA-N 2 0 335.452 1.056 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCO)[C@H]2C)o1 ZINC000994467172 696903422 /nfs/dbraw/zinc/90/34/22/696903422.db2.gz FYOJELLVJFSUDR-GOEBONIOSA-N 2 0 337.464 1.696 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000920236481 697410259 /nfs/dbraw/zinc/41/02/59/697410259.db2.gz PGMQCCGRZITFIV-QLFBSQMISA-N 2 0 326.510 1.350 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000920266848 697417277 /nfs/dbraw/zinc/41/72/77/697417277.db2.gz XZWNUFCNDKEVFW-YOEHRIQHSA-N 2 0 330.476 1.477 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000920768578 697477051 /nfs/dbraw/zinc/47/70/51/697477051.db2.gz FMYUSULFVCHKHK-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CCCC1 ZINC001031681532 697505053 /nfs/dbraw/zinc/50/50/53/697505053.db2.gz WSNIMVMTUJVNAF-OLMNPRSZSA-N 2 0 337.508 1.580 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000921438373 697613273 /nfs/dbraw/zinc/61/32/73/697613273.db2.gz ZKTFDGYLIJFUPX-OAGGEKHMSA-N 2 0 340.537 1.740 20 0 EDADRP COC[C@H](C)[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031707023 697696781 /nfs/dbraw/zinc/69/67/81/697696781.db2.gz QJFUFBYPQMHCRG-LBPRGKRZSA-N 2 0 325.478 1.506 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)nc2)C1 ZINC001031714760 697737560 /nfs/dbraw/zinc/73/75/60/697737560.db2.gz MCQDWEDWNQKMAV-KRWDZBQOSA-N 2 0 331.464 1.207 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943518424 698433214 /nfs/dbraw/zinc/43/32/14/698433214.db2.gz RYTXQYRXEQMVLB-FUHWJXTLSA-N 2 0 349.523 1.931 20 0 EDADRP CC1([NH2+]CC2CCOCC2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940112118 700226551 /nfs/dbraw/zinc/22/65/51/700226551.db2.gz SZXTUWLLSGKLLT-SFHVURJKSA-N 2 0 349.519 1.726 20 0 EDADRP [NH3+]Cc1ccc(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)o1 ZINC000238006138 698589218 /nfs/dbraw/zinc/58/92/18/698589218.db2.gz IENNWZQLIABFLD-CQSZACIVSA-N 2 0 343.383 1.899 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000943875937 698998585 /nfs/dbraw/zinc/99/85/85/698998585.db2.gz FZLRLNHTTFXQEG-NVXWUHKLSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)C[C@H]2C)CC1 ZINC000943877080 699000292 /nfs/dbraw/zinc/00/02/92/699000292.db2.gz LZLMGPGCRWGFJB-WBVHZDCISA-N 2 0 325.497 1.316 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054323 699114512 /nfs/dbraw/zinc/11/45/12/699114512.db2.gz IBWIYAQEXWQTIF-DYVFJYSZSA-N 2 0 334.464 1.515 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1CCc2nccn2C1 ZINC001031783209 699208850 /nfs/dbraw/zinc/20/88/50/699208850.db2.gz UPXCFPHLCUQGCV-GOSISDBHSA-N 2 0 338.455 1.736 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939133982 699219069 /nfs/dbraw/zinc/21/90/69/699219069.db2.gz VGSSRQBZRYSPIA-YOEHRIQHSA-N 2 0 348.491 1.905 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939259988 699438300 /nfs/dbraw/zinc/43/83/00/699438300.db2.gz YRQYZGZQBHJKDE-YJBOKZPZSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CCO1 ZINC001031812756 699486789 /nfs/dbraw/zinc/48/67/89/699486789.db2.gz JTLOKBFWGNFMTR-HZPDHXFCSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)on1 ZINC000939386830 699539468 /nfs/dbraw/zinc/53/94/68/699539468.db2.gz DKSIVSJNUHJLIJ-YOEHRIQHSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939396492 699546455 /nfs/dbraw/zinc/54/64/55/699546455.db2.gz JDBFZVCHMJHANF-YJBOKZPZSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)cn1 ZINC000939397905 699547467 /nfs/dbraw/zinc/54/74/67/699547467.db2.gz NJMYQKBADOJWOB-YJBOKZPZSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)c(C)s1 ZINC000939535625 699676438 /nfs/dbraw/zinc/67/64/38/699676438.db2.gz RALWYXZFSOPLPY-BDJLRTHQSA-N 2 0 347.488 1.673 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)c(C)s1 ZINC000939535626 699676544 /nfs/dbraw/zinc/67/65/44/699676544.db2.gz RALWYXZFSOPLPY-BZNIZROVSA-N 2 0 347.488 1.673 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1)OC ZINC001031838488 699803808 /nfs/dbraw/zinc/80/38/08/699803808.db2.gz XYMQGTQGCSUISQ-MRXNPFEDSA-N 2 0 343.431 1.354 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939753478 699902917 /nfs/dbraw/zinc/90/29/17/699902917.db2.gz FWMJHVJYUVIHER-GDBMZVCRSA-N 2 0 332.448 1.123 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995166152 701620019 /nfs/dbraw/zinc/62/00/19/701620019.db2.gz GFTRSCXHLQHZTE-HUUCEWRRSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001032118777 701623520 /nfs/dbraw/zinc/62/35/20/701623520.db2.gz UDOLHPGRYWYLDO-KXBFYZLASA-N 2 0 349.519 1.724 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1)C1CCC1 ZINC000940154068 700284256 /nfs/dbraw/zinc/28/42/56/700284256.db2.gz NXWNULGHLREDSI-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940159764 700292945 /nfs/dbraw/zinc/29/29/45/700292945.db2.gz UANMBASLKYTPSS-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1 ZINC000995166641 701627523 /nfs/dbraw/zinc/62/75/23/701627523.db2.gz GLSBHPPSULSXFW-JKSUJKDBSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC000940179479 700313248 /nfs/dbraw/zinc/31/32/48/700313248.db2.gz VOPVKCJINDAFIX-QGZVFWFLSA-N 2 0 345.491 1.740 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000995051603 700356947 /nfs/dbraw/zinc/35/69/47/700356947.db2.gz BTJTZJBBWYTAMB-NVXWUHKLSA-N 2 0 347.507 1.669 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3cscn3)CC2)CC1 ZINC000940296691 700469265 /nfs/dbraw/zinc/46/92/65/700469265.db2.gz UCJPOFAJVZDBQH-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000940282854 700472157 /nfs/dbraw/zinc/47/21/57/700472157.db2.gz XPOCBFXKIALGCW-ZFWWWQNUSA-N 2 0 349.479 1.579 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940328079 700505887 /nfs/dbraw/zinc/50/58/87/700505887.db2.gz FGXKIERFVQBIBU-LSDHHAIUSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000940329244 700508689 /nfs/dbraw/zinc/50/86/89/700508689.db2.gz SGAAFKLWWVRLRH-ZDUSSCGKSA-N 2 0 335.452 1.333 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC000995067924 700531422 /nfs/dbraw/zinc/53/14/22/700531422.db2.gz AYITVRIUNGFKKA-DOTOQJQBSA-N 2 0 345.491 1.501 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)CC1 ZINC000940402174 700601830 /nfs/dbraw/zinc/60/18/30/700601830.db2.gz NGENCLLFMOETQF-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940426531 700620493 /nfs/dbraw/zinc/62/04/93/700620493.db2.gz VGDZVAXZTJHBOV-ZDUSSCGKSA-N 2 0 337.493 1.351 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)C1 ZINC000940426554 700620526 /nfs/dbraw/zinc/62/05/26/700620526.db2.gz WRTSUDSTGFWZNO-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000940427617 700621860 /nfs/dbraw/zinc/62/18/60/700621860.db2.gz MHOHTZVODLACEU-SJORKVTESA-N 2 0 349.519 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472532 700657783 /nfs/dbraw/zinc/65/77/83/700657783.db2.gz BVRIZJFQFDNLNP-KRWDZBQOSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625700 700787727 /nfs/dbraw/zinc/78/77/27/700787727.db2.gz UZIMXDNQNFAZQJ-HZPDHXFCSA-N 2 0 334.464 1.794 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)C1 ZINC000995099648 700884301 /nfs/dbraw/zinc/88/43/01/700884301.db2.gz ABDFTAOYCCABGG-LSDHHAIUSA-N 2 0 334.464 1.781 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943707 701009999 /nfs/dbraw/zinc/00/99/99/701009999.db2.gz NAGSAKXFQOEVQK-CABCVRRESA-N 2 0 325.497 1.458 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943710 701010062 /nfs/dbraw/zinc/01/00/62/701010062.db2.gz NAGSAKXFQOEVQK-LSDHHAIUSA-N 2 0 325.497 1.458 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973877 701015940 /nfs/dbraw/zinc/01/59/40/701015940.db2.gz YKUQQQFSUKBGRG-HOTGVXAUSA-N 2 0 325.497 1.317 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941028285 701068391 /nfs/dbraw/zinc/06/83/91/701068391.db2.gz KSXKHKIHMJMRRO-JKSUJKDBSA-N 2 0 339.524 1.970 20 0 EDADRP Cn1nccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995117247 701073196 /nfs/dbraw/zinc/07/31/96/701073196.db2.gz BISNLLDZFJIKNQ-DLBZAZTESA-N 2 0 347.507 1.527 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccnn2C)CC1(C)C ZINC000941033335 701075818 /nfs/dbraw/zinc/07/58/18/701075818.db2.gz ORXVZROPIVXKEB-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)Cn3ccnc3)[C@H](C)C2)o1 ZINC000945806355 701196222 /nfs/dbraw/zinc/19/62/22/701196222.db2.gz CXNZRQGTMTWZFA-IUODEOHRSA-N 2 0 331.420 1.515 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3ncccn3)CC2(C)C)C1 ZINC000941163980 701229199 /nfs/dbraw/zinc/22/91/99/701229199.db2.gz RCPDIPZXTZOCHS-CVEARBPZSA-N 2 0 345.491 1.535 20 0 EDADRP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167096 701378181 /nfs/dbraw/zinc/37/81/81/701378181.db2.gz QUTNCXMTXLMARH-IRXDYDNUSA-N 2 0 349.519 1.726 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001031932266 701384734 /nfs/dbraw/zinc/38/47/34/701384734.db2.gz ZXAUXNDZTRJVSU-VQIMIIECSA-N 2 0 347.459 1.429 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000995130680 701395564 /nfs/dbraw/zinc/39/55/64/701395564.db2.gz CUMVBPXEMHUCCN-SJLPKXTDSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214845 701401203 /nfs/dbraw/zinc/40/12/03/701401203.db2.gz FABYYIJDWFLPDZ-INIZCTEOSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221170 701411782 /nfs/dbraw/zinc/41/17/82/701411782.db2.gz MERCPKJZGCWKNM-KRWDZBQOSA-N 2 0 347.507 1.541 20 0 EDADRP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221552 701412284 /nfs/dbraw/zinc/41/22/84/701412284.db2.gz XCPIIIUAZGJSND-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170824 706600297 /nfs/dbraw/zinc/60/02/97/706600297.db2.gz SRNLBXLRBJKGIX-RDJZCZTQSA-N 2 0 348.516 1.874 20 0 EDADRP CN(C)c1cccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001031947513 701502972 /nfs/dbraw/zinc/50/29/72/701502972.db2.gz HPDIEWPFNIZDCT-UHFFFAOYSA-N 2 0 344.503 1.642 20 0 EDADRP CC[C@H](C(=O)N1CCN(C2C[NH+](CC3=CCCCC3)C2)CC1)[NH+](C)C ZINC000941454137 701548130 /nfs/dbraw/zinc/54/81/30/701548130.db2.gz CNYVMLIZKNGVAF-LJQANCHMSA-N 2 0 348.535 1.655 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001032130340 701841142 /nfs/dbraw/zinc/84/11/42/701841142.db2.gz LXOPMLOTTQIPEN-UHFFFAOYSA-N 2 0 329.444 1.339 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032205855 702107979 /nfs/dbraw/zinc/10/79/79/702107979.db2.gz KOCQSOMRJFDNGT-QZTJIDSGSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)n1 ZINC000995817772 702133916 /nfs/dbraw/zinc/13/39/16/702133916.db2.gz ZYIUGIVSCAQEMF-KRWDZBQOSA-N 2 0 347.507 1.685 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)COC4)C2)C1 ZINC001032182833 702212579 /nfs/dbraw/zinc/21/25/79/702212579.db2.gz SGMRXQBLNVFGMB-INIZCTEOSA-N 2 0 329.444 1.217 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CC1 ZINC000995891170 702233706 /nfs/dbraw/zinc/23/37/06/702233706.db2.gz CMLFLLBDEACVOE-DLBZAZTESA-N 2 0 330.476 1.748 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920209 702241386 /nfs/dbraw/zinc/24/13/86/702241386.db2.gz TYQAHUWAECPITL-QGZVFWFLSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995925782 702252642 /nfs/dbraw/zinc/25/26/42/702252642.db2.gz MEGMFINRWWAYQI-SJORKVTESA-N 2 0 347.507 1.698 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1)[NH+](C)C ZINC000995929967 702260523 /nfs/dbraw/zinc/26/05/23/702260523.db2.gz XRIORNQRZJPQEL-IRXDYDNUSA-N 2 0 332.492 1.994 20 0 EDADRP CCn1ncnc1CN[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995973941 702358640 /nfs/dbraw/zinc/35/86/40/702358640.db2.gz GLOZORAPBQVPAR-CABCVRRESA-N 2 0 348.495 1.109 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)n1 ZINC000995997006 702375685 /nfs/dbraw/zinc/37/56/85/702375685.db2.gz OGDLAAPZOWZPLE-MRXNPFEDSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944170837 702415264 /nfs/dbraw/zinc/41/52/64/702415264.db2.gz VNHYRGINDVXPIA-DZGCQCFKSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944154719 702446159 /nfs/dbraw/zinc/44/61/59/702446159.db2.gz LPINPDRZKZVJOJ-CZUORRHYSA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942055586 702502749 /nfs/dbraw/zinc/50/27/49/702502749.db2.gz BEGGIIJKVSMFBU-CVEARBPZSA-N 2 0 335.496 1.541 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000996251229 702653115 /nfs/dbraw/zinc/65/31/15/702653115.db2.gz ZYBFWMWJFDINTK-IAGOWNOFSA-N 2 0 349.523 1.375 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)CC1 ZINC000996251620 702653461 /nfs/dbraw/zinc/65/34/61/702653461.db2.gz ZBTWGDPCDQWRQQ-QGZVFWFLSA-N 2 0 348.466 1.889 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995209324 702674628 /nfs/dbraw/zinc/67/46/28/702674628.db2.gz JYLFGTAZRFHTJJ-ZIAGYGMSSA-N 2 0 337.493 1.317 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300444 702691658 /nfs/dbraw/zinc/69/16/58/702691658.db2.gz MGVXVTAWDFYVOL-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300536 702692355 /nfs/dbraw/zinc/69/23/55/702692355.db2.gz NPEXQXKIJNHHFU-PBHICJAKSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nccn3C)C(C)(C)C2)C1 ZINC000996301141 702693063 /nfs/dbraw/zinc/69/30/63/702693063.db2.gz QBNFQFWJTCKKJF-HUUCEWRRSA-N 2 0 333.480 1.089 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996307319 702695154 /nfs/dbraw/zinc/69/51/54/702695154.db2.gz ASRTVYWKBBUJIY-MRXNPFEDSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256079 702747483 /nfs/dbraw/zinc/74/74/83/702747483.db2.gz CPPGUCXWJCGDRG-RDJZCZTQSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC000996463539 702791318 /nfs/dbraw/zinc/79/13/18/702791318.db2.gz HQVAREAYVVPMQO-SFHVURJKSA-N 2 0 345.491 1.738 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996500187 702839274 /nfs/dbraw/zinc/83/92/74/702839274.db2.gz CWNHJCBWCSXPBI-PKOBYXMFSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)nn1C ZINC000996518723 702854546 /nfs/dbraw/zinc/85/45/46/702854546.db2.gz GRDZXPOBUSYPNN-MRXNPFEDSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560462 702878633 /nfs/dbraw/zinc/87/86/33/702878633.db2.gz ICHSENLJJJVSHQ-GOSISDBHSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610820 702916177 /nfs/dbraw/zinc/91/61/77/702916177.db2.gz KVLFOXMFVFBIJL-UKRRQHHQSA-N 2 0 336.505 1.730 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616779 702923803 /nfs/dbraw/zinc/92/38/03/702923803.db2.gz UISSZDQPXUEBNH-KGLIPLIRSA-N 2 0 329.435 1.810 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996617694 702924491 /nfs/dbraw/zinc/92/44/91/702924491.db2.gz VTBFNVGVEKJEPO-BBRMVZONSA-N 2 0 334.439 1.499 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665251 702967895 /nfs/dbraw/zinc/96/78/95/702967895.db2.gz AQXFTLDAXRNIHR-IRXDYDNUSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)C1CC1 ZINC000996677537 702976591 /nfs/dbraw/zinc/97/65/91/702976591.db2.gz KQXLFABSSAZTJG-SFHVURJKSA-N 2 0 345.491 1.250 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996688318 702985738 /nfs/dbraw/zinc/98/57/38/702985738.db2.gz IADWCCLWDNZEDU-SFHVURJKSA-N 2 0 347.507 1.858 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000996692265 702989466 /nfs/dbraw/zinc/98/94/66/702989466.db2.gz XKRPAJIINMCXNQ-OAHLLOKOSA-N 2 0 334.468 1.068 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996711903 703006967 /nfs/dbraw/zinc/00/69/67/703006967.db2.gz MZDXFWLJCQXGEH-SJORKVTESA-N 2 0 345.491 1.518 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1)[NH+](C)C ZINC000996713313 703008191 /nfs/dbraw/zinc/00/81/91/703008191.db2.gz TXRFQGTWUCSGJG-RHSMWYFYSA-N 2 0 333.480 1.767 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H](C)C1 ZINC000942537404 703038074 /nfs/dbraw/zinc/03/80/74/703038074.db2.gz AJEVDQPFIJABGE-QAPCUYQASA-N 2 0 342.443 1.959 20 0 EDADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996751704 703052342 /nfs/dbraw/zinc/05/23/42/703052342.db2.gz LQVCDSGORPJBSX-UHFFFAOYSA-N 2 0 349.479 1.803 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996764795 703053340 /nfs/dbraw/zinc/05/33/40/703053340.db2.gz FNOSHKHNWNFTRI-ZDUSSCGKSA-N 2 0 347.463 1.648 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCC2)CC1 ZINC000996822234 703112230 /nfs/dbraw/zinc/11/22/30/703112230.db2.gz KRCJSCPYPJWOHL-RMXPPQQLSA-N 2 0 333.476 1.230 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CCc2nccn2C)CC1)c1ncccn1 ZINC000996835380 703122922 /nfs/dbraw/zinc/12/29/22/703122922.db2.gz RNVHQHRUNXXKHO-AWEZNQCLSA-N 2 0 342.447 1.485 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3C[C@@]34CCOC4)CC2)CC1 ZINC000996957177 703220357 /nfs/dbraw/zinc/22/03/57/703220357.db2.gz YEMGQJPPZZKZGX-VQIMIIECSA-N 2 0 335.492 1.335 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000996955257 703224796 /nfs/dbraw/zinc/22/47/96/703224796.db2.gz OJOJBYVCTSSHAZ-UHFFFAOYSA-N 2 0 345.491 1.252 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000996996158 703251826 /nfs/dbraw/zinc/25/18/26/703251826.db2.gz VQAUAYVZJMREDC-AWEZNQCLSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000996995744 703252499 /nfs/dbraw/zinc/25/24/99/703252499.db2.gz QBUXAIDKWPXAAI-ZDUSSCGKSA-N 2 0 334.464 1.714 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996995929 703252967 /nfs/dbraw/zinc/25/29/67/703252967.db2.gz UJRILUGKNUYVPH-CQSZACIVSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997004692 703261574 /nfs/dbraw/zinc/26/15/74/703261574.db2.gz FZJYZIKPQBIQLD-CQSZACIVSA-N 2 0 333.480 1.151 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)sn1 ZINC000997006304 703263356 /nfs/dbraw/zinc/26/33/56/703263356.db2.gz KSKJNYVKWKPECJ-CYBMUJFWSA-N 2 0 336.505 1.874 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000997006442 703263857 /nfs/dbraw/zinc/26/38/57/703263857.db2.gz GJNMJVIMDWRTSE-KSSFIOAISA-N 2 0 346.475 1.369 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC000997007838 703265239 /nfs/dbraw/zinc/26/52/39/703265239.db2.gz JSDJSNXWKHCODF-HNAYVOBHSA-N 2 0 345.487 1.974 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057565 703303016 /nfs/dbraw/zinc/30/30/16/703303016.db2.gz KOKMXQUCBHWOHL-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)nn1 ZINC000997114833 703367654 /nfs/dbraw/zinc/36/76/54/703367654.db2.gz HZRJEDOCELAXFO-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCCC1)OC ZINC001032404446 703424348 /nfs/dbraw/zinc/42/43/48/703424348.db2.gz INGRJBBIHVTJKT-ULQDDVLXSA-N 2 0 337.508 1.961 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000997182828 703467889 /nfs/dbraw/zinc/46/78/89/703467889.db2.gz IGDMYKZHMQHYLH-GJZGRUSLSA-N 2 0 331.464 1.460 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)cn1 ZINC000997187202 703476698 /nfs/dbraw/zinc/47/66/98/703476698.db2.gz XBMOJPOFUHOUCD-WMZOPIPTSA-N 2 0 347.507 1.621 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997187402 703476958 /nfs/dbraw/zinc/47/69/58/703476958.db2.gz QXJLIYDDPBNBNA-AWEZNQCLSA-N 2 0 332.448 1.378 20 0 EDADRP CCc1noc([C@@H](C)NC2CCN(C(=O)Cc3[nH]cnc3C)CC2)n1 ZINC000997210055 703509642 /nfs/dbraw/zinc/50/96/42/703509642.db2.gz GPRIUCVVJPBMJT-GFCCVEGCSA-N 2 0 346.435 1.548 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000997260823 703539858 /nfs/dbraw/zinc/53/98/58/703539858.db2.gz LSUJPFMTKACLCU-RVKKMQEKSA-N 2 0 345.491 1.849 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3F)CC2)C1 ZINC000997298925 703556641 /nfs/dbraw/zinc/55/66/41/703556641.db2.gz LBZSTBAKKVSYRE-CQSZACIVSA-N 2 0 337.414 1.997 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997307013 703565457 /nfs/dbraw/zinc/56/54/57/703565457.db2.gz KZJSOGZWXCXDLX-UHFFFAOYSA-N 2 0 333.480 1.640 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nn1C ZINC000997359253 703589865 /nfs/dbraw/zinc/58/98/65/703589865.db2.gz HJNAMIJGTMPMOB-GJZGRUSLSA-N 2 0 347.507 1.682 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000997366711 703600824 /nfs/dbraw/zinc/60/08/24/703600824.db2.gz JZRJRTVOWPVMEF-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2nncn2C)CC1)[NH+]1CCCC1 ZINC000997370163 703611971 /nfs/dbraw/zinc/61/19/71/703611971.db2.gz UPFGXYJWJVJUIC-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C)CC1 ZINC000921584569 703627673 /nfs/dbraw/zinc/62/76/73/703627673.db2.gz VOXICPBZMFRJHU-YOEHRIQHSA-N 2 0 331.464 1.610 20 0 EDADRP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C)OC ZINC001032489384 703764626 /nfs/dbraw/zinc/76/46/26/703764626.db2.gz NEPUBPFCFOZQLU-YESZJQIVSA-N 2 0 342.443 1.966 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997605046 703901103 /nfs/dbraw/zinc/90/11/03/703901103.db2.gz CNVVPCVCUGEQRD-KRWDZBQOSA-N 2 0 346.475 1.513 20 0 EDADRP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997608326 703905331 /nfs/dbraw/zinc/90/53/31/703905331.db2.gz UYZOVXGFUTURMJ-GOSISDBHSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997613586 703913075 /nfs/dbraw/zinc/91/30/75/703913075.db2.gz OQDBBPLTDWCWSM-DOMZBBRYSA-N 2 0 334.468 1.097 20 0 EDADRP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000997616126 703915249 /nfs/dbraw/zinc/91/52/49/703915249.db2.gz YSNWAAOYSUZWBC-AWEZNQCLSA-N 2 0 337.493 1.269 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC000999295042 706792387 /nfs/dbraw/zinc/79/23/87/706792387.db2.gz XQDWOEBGIGSVDY-QEFXCSQDSA-N 2 0 347.507 1.712 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084027 704153089 /nfs/dbraw/zinc/15/30/89/704153089.db2.gz DQSQBXYLXWSJLG-INIZCTEOSA-N 2 0 333.480 1.557 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CCN(Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC001033091217 704166013 /nfs/dbraw/zinc/16/60/13/704166013.db2.gz ILAZEAIXDIHNJB-FHLIZLRMSA-N 2 0 345.491 1.202 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033100463 704217941 /nfs/dbraw/zinc/21/79/41/704217941.db2.gz ZRDSPFGOJYKUQV-BPQIPLTHSA-N 2 0 337.508 1.819 20 0 EDADRP CC[C@@H](CN1CCOCC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000922834935 704400491 /nfs/dbraw/zinc/40/04/91/704400491.db2.gz SJJJJKYOMPCUEU-HNNXBMFYSA-N 2 0 331.420 1.244 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004436657 704411086 /nfs/dbraw/zinc/41/10/86/704411086.db2.gz HBIYEDVTRHYDEF-OALUTQOASA-N 2 0 349.519 1.414 20 0 EDADRP CN1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CCc3ccccc3)C(C)(C)C2)C1 ZINC000995607608 704571056 /nfs/dbraw/zinc/57/10/56/704571056.db2.gz RYPYMJSUNOZQPA-MSOLQXFVSA-N 2 0 345.487 1.386 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997791928 704700357 /nfs/dbraw/zinc/70/03/57/704700357.db2.gz BMRNMQCZLRDYST-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000997830234 704748801 /nfs/dbraw/zinc/74/88/01/704748801.db2.gz FUGYHVDBTQMVRA-BBRMVZONSA-N 2 0 348.495 1.045 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000997831548 704749869 /nfs/dbraw/zinc/74/98/69/704749869.db2.gz VAKIJSYQOCFDRX-SFHVURJKSA-N 2 0 347.507 1.397 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000997854620 704766686 /nfs/dbraw/zinc/76/66/86/704766686.db2.gz HBLFAKCVMKKSFL-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997865747 704772911 /nfs/dbraw/zinc/77/29/11/704772911.db2.gz HJTOKPFKFGUREI-YJBOKZPZSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997869185 704774943 /nfs/dbraw/zinc/77/49/43/704774943.db2.gz ZCVVWFWXHMAPGD-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@@H]1C ZINC000944946658 704799702 /nfs/dbraw/zinc/79/97/02/704799702.db2.gz YCLKRHJXRIPISD-SWLSCSKDSA-N 2 0 333.461 1.675 20 0 EDADRP Cc1nc(CN2CC[C@H](NC(=O)Cn3ccnc3C)[C@@H](C)C2)co1 ZINC000944965421 704835658 /nfs/dbraw/zinc/83/56/58/704835658.db2.gz SMGPUECBSONQLK-LRDDRELGSA-N 2 0 331.420 1.515 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)CC[N@@H+]1C ZINC000998004312 705165967 /nfs/dbraw/zinc/16/59/67/705165967.db2.gz IDEQXASBHKRJKI-ZFWWWQNUSA-N 2 0 335.452 1.128 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000998004663 705166570 /nfs/dbraw/zinc/16/65/70/705166570.db2.gz MHPPKMZNAUZGAF-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000998040256 705229080 /nfs/dbraw/zinc/22/90/80/705229080.db2.gz NMLJKXVRCHLROC-GOSISDBHSA-N 2 0 349.523 1.643 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998076659 705296153 /nfs/dbraw/zinc/29/61/53/705296153.db2.gz BZAUASLZLWWXQZ-QAPCUYQASA-N 2 0 337.508 1.439 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC000998076567 705296495 /nfs/dbraw/zinc/29/64/95/705296495.db2.gz ADIPGGMAXKQKHO-DOTOQJQBSA-N 2 0 345.491 1.311 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998080515 705305918 /nfs/dbraw/zinc/30/59/18/705305918.db2.gz BXNQQCDYWCEZDZ-PBHICJAKSA-N 2 0 348.491 1.763 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000998189206 705494534 /nfs/dbraw/zinc/49/45/34/705494534.db2.gz MEQKMPXWUGHPJK-SJORKVTESA-N 2 0 347.507 1.575 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC000998221193 705546778 /nfs/dbraw/zinc/54/67/78/705546778.db2.gz DJOPZBUPUGYULI-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998224307 705552911 /nfs/dbraw/zinc/55/29/11/705552911.db2.gz YYAKUZUZYQQEPW-UHFFFAOYSA-N 2 0 345.491 1.153 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000998265376 705632419 /nfs/dbraw/zinc/63/24/19/705632419.db2.gz LTEXNRFRPUPTEL-INIZCTEOSA-N 2 0 346.475 1.832 20 0 EDADRP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998274118 705654783 /nfs/dbraw/zinc/65/47/83/705654783.db2.gz REWUTXDUSJXJBW-MRXNPFEDSA-N 2 0 348.495 1.139 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998286254 705681866 /nfs/dbraw/zinc/68/18/66/705681866.db2.gz JXNFRSABQSTUPS-KBPBESRZSA-N 2 0 335.452 1.271 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998723824 706155213 /nfs/dbraw/zinc/15/52/13/706155213.db2.gz RUZWXCUMARXRBW-WMZOPIPTSA-N 2 0 331.460 1.870 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]CCn2cccn2)C1 ZINC000998769065 706209063 /nfs/dbraw/zinc/20/90/63/706209063.db2.gz IJPPFRKIUHJJPW-UHFFFAOYSA-N 2 0 347.507 1.727 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC000998795593 706242687 /nfs/dbraw/zinc/24/26/87/706242687.db2.gz JJTPJXJGUBCTLL-LHUBUQBQSA-N 2 0 346.475 1.509 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[C@H]3c3c[nH]cn3)C2)cn1 ZINC000998938411 706378067 /nfs/dbraw/zinc/37/80/67/706378067.db2.gz DORLETPJEMOFIB-QDIHITRGSA-N 2 0 340.431 1.391 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998995735 706413430 /nfs/dbraw/zinc/41/34/30/706413430.db2.gz UFUFAQRBPCCDQY-VMBOVVBDSA-N 2 0 334.464 1.800 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999049950 706470688 /nfs/dbraw/zinc/47/06/88/706470688.db2.gz GVDGXKXDRNBOCY-KLAILNCOSA-N 2 0 335.492 1.620 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517174 706519290 /nfs/dbraw/zinc/51/92/90/706519290.db2.gz ALQDBKKITDVBTE-RDGPPVDQSA-N 2 0 349.519 1.820 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999145547 706559082 /nfs/dbraw/zinc/55/90/82/706559082.db2.gz SJDCBIAESQEIPQ-SJORKVTESA-N 2 0 333.480 1.374 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000999318359 706826517 /nfs/dbraw/zinc/82/65/17/706826517.db2.gz RSNIIJVXANCNPF-QGZVFWFLSA-N 2 0 327.432 1.827 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000999349456 706861550 /nfs/dbraw/zinc/86/15/50/706861550.db2.gz STIAMEOSKCYCGR-QGZVFWFLSA-N 2 0 330.476 1.955 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999351608 706864383 /nfs/dbraw/zinc/86/43/83/706864383.db2.gz FBDRXUKBGLAOQN-ZWKOTPCHSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)ncn1 ZINC000999374753 706869235 /nfs/dbraw/zinc/86/92/35/706869235.db2.gz JAKOSYQTMIERBS-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999509091 707006732 /nfs/dbraw/zinc/00/67/32/707006732.db2.gz JDEKRNPLUORRSA-NVXWUHKLSA-N 2 0 333.480 1.028 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)cc2C)C1)[NH+](C)C ZINC000999490498 707026613 /nfs/dbraw/zinc/02/66/13/707026613.db2.gz QNIXEKNFJWZERX-DLBZAZTESA-N 2 0 335.496 1.421 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999595625 707098873 /nfs/dbraw/zinc/09/88/73/707098873.db2.gz HERVNRSIEGCPHW-OAHLLOKOSA-N 2 0 332.448 1.692 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946784890 707316072 /nfs/dbraw/zinc/31/60/72/707316072.db2.gz ZDUGAVJCNXOOGG-BDXSIMOUSA-N 2 0 337.508 1.534 20 0 EDADRP CCc1[nH]nc(Cl)c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000921686857 707316623 /nfs/dbraw/zinc/31/66/23/707316623.db2.gz QCULXDFJIAYLIS-UHFFFAOYSA-N 2 0 327.904 1.989 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789384 707406823 /nfs/dbraw/zinc/40/68/23/707406823.db2.gz HAKWQRDTDBYXAB-WMZOPIPTSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033194038 707430052 /nfs/dbraw/zinc/43/00/52/707430052.db2.gz AQSHSULFEOIQCP-HZPDHXFCSA-N 2 0 349.479 1.328 20 0 EDADRP C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004846753 707465796 /nfs/dbraw/zinc/46/57/96/707465796.db2.gz LWKBBWNOOXUYKW-DZGCQCFKSA-N 2 0 345.451 1.030 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999875905 707522222 /nfs/dbraw/zinc/52/22/22/707522222.db2.gz DCSZTGFLKLICJR-VMWRSERWSA-N 2 0 347.507 1.682 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000999876577 707524121 /nfs/dbraw/zinc/52/41/21/707524121.db2.gz OJRWBUYNMSLZCJ-VMWRSERWSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1cncn1CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1nccn1C ZINC001004897166 707613294 /nfs/dbraw/zinc/61/32/94/707613294.db2.gz PWKMDSTYUTXUJL-HOTGVXAUSA-N 2 0 344.463 1.484 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033398464 707739544 /nfs/dbraw/zinc/73/95/44/707739544.db2.gz WTQHEZXMKFMDTI-SJLPKXTDSA-N 2 0 337.508 1.678 20 0 EDADRP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)cn1 ZINC001004988607 707845719 /nfs/dbraw/zinc/84/57/19/707845719.db2.gz CISAMFLGWSQIRO-MAUKXSAKSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nc(C)c(C)c(N2CC[C@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001061605076 707863040 /nfs/dbraw/zinc/86/30/40/707863040.db2.gz WAEGCEHXTHVSFX-HZPDHXFCSA-N 2 0 331.464 1.296 20 0 EDADRP Cn1cc(C[NH+]2CCC(C3(NC(=O)[C@H]4CC[N@H+](C)C4)CC3)CC2)cn1 ZINC001000331071 707990656 /nfs/dbraw/zinc/99/06/56/707990656.db2.gz AKURUVZWZCDZFP-INIZCTEOSA-N 2 0 345.491 1.233 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC001000381624 708002622 /nfs/dbraw/zinc/00/26/22/708002622.db2.gz AAAWSLMNOGMZEE-QGZVFWFLSA-N 2 0 345.491 1.598 20 0 EDADRP CO[C@@H](C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700931 708060109 /nfs/dbraw/zinc/06/01/09/708060109.db2.gz AHGQEXLLCRDFNT-LZQZEXGQSA-N 2 0 349.519 1.890 20 0 EDADRP C[C@H](O)C[N@H+]1CC=C(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001000999611 708081279 /nfs/dbraw/zinc/08/12/79/708081279.db2.gz SREHCXZJIBWCDD-INIZCTEOSA-N 2 0 345.487 1.533 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032800709 708083382 /nfs/dbraw/zinc/08/33/82/708083382.db2.gz VUMHKTPBNXQCFG-NJAFHUGGSA-N 2 0 343.471 1.683 20 0 EDADRP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)C1 ZINC001032802001 708085053 /nfs/dbraw/zinc/08/50/53/708085053.db2.gz OUYSWBXWWOLNAL-YBXZHIRMSA-N 2 0 349.519 1.963 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCO)C1 ZINC001033576105 708251045 /nfs/dbraw/zinc/25/10/45/708251045.db2.gz TZBLKILFUPZBFM-IRXDYDNUSA-N 2 0 325.497 1.556 20 0 EDADRP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582027 708264474 /nfs/dbraw/zinc/26/44/74/708264474.db2.gz NIHDZMGWZQYWJQ-FUHWJXTLSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591460 708289160 /nfs/dbraw/zinc/28/91/60/708289160.db2.gz CHDQZXDKGPBZIF-KRWDZBQOSA-N 2 0 328.460 1.519 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC001001795490 708310042 /nfs/dbraw/zinc/31/00/42/708310042.db2.gz USNNIPLDPHYZSE-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001001798893 708312827 /nfs/dbraw/zinc/31/28/27/708312827.db2.gz WJKSXQDOANFLIM-UHFFFAOYSA-N 2 0 337.508 1.583 20 0 EDADRP CCc1noc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001001824482 708326858 /nfs/dbraw/zinc/32/68/58/708326858.db2.gz IHLXDFSFWIZJKG-DZGCQCFKSA-N 2 0 349.479 1.158 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccns2)CC1 ZINC001001826568 708329043 /nfs/dbraw/zinc/32/90/43/708329043.db2.gz WPPBVNHMXDLLLZ-CJNGLKHVSA-N 2 0 336.505 1.669 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001033663695 708444694 /nfs/dbraw/zinc/44/46/94/708444694.db2.gz YAERQLVZZVCOCB-WBVHZDCISA-N 2 0 349.450 1.689 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033664275 708446020 /nfs/dbraw/zinc/44/60/20/708446020.db2.gz FCFMYAPFVKBXPJ-HKUYNNGSSA-N 2 0 344.503 1.737 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686725 708501234 /nfs/dbraw/zinc/50/12/34/708501234.db2.gz SLKNFAOLNOZLEM-QZTJIDSGSA-N 2 0 347.507 1.370 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001002120167 708633450 /nfs/dbraw/zinc/63/34/50/708633450.db2.gz HEQMUJQCKPMRPE-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001002154556 708669282 /nfs/dbraw/zinc/66/92/82/708669282.db2.gz ARMSYESNSOCAFI-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](C)OC)CC1 ZINC001002157648 708671946 /nfs/dbraw/zinc/67/19/46/708671946.db2.gz KXWWRZOSOXNOAN-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001033773969 708672722 /nfs/dbraw/zinc/67/27/22/708672722.db2.gz IJDIBFJRVWYRKH-ZWKOTPCHSA-N 2 0 347.507 1.463 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033830617 708852985 /nfs/dbraw/zinc/85/29/85/708852985.db2.gz LNAFBUPAMNVVJJ-ROUUACIJSA-N 2 0 345.491 1.148 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005398326 708881580 /nfs/dbraw/zinc/88/15/80/708881580.db2.gz NSZUCYROSMGICH-APWZRJJASA-N 2 0 349.519 1.678 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CC2CC2)CC1 ZINC001005409900 708922441 /nfs/dbraw/zinc/92/24/41/708922441.db2.gz MLJBCNJWZQZQRE-UHFFFAOYSA-N 2 0 333.480 1.391 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002445638 708966921 /nfs/dbraw/zinc/96/69/21/708966921.db2.gz UYXMOZCHBAPCJT-IBGZPJMESA-N 2 0 344.503 1.927 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001002472367 709005556 /nfs/dbraw/zinc/00/55/56/709005556.db2.gz ABXWVBZNKSMPJB-MSOLQXFVSA-N 2 0 337.508 1.602 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033939402 709144328 /nfs/dbraw/zinc/14/43/28/709144328.db2.gz AAPJAUGZWLTWFX-SFHVURJKSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033941604 709148388 /nfs/dbraw/zinc/14/83/88/709148388.db2.gz QSQZMCRMCONYTN-SJLPKXTDSA-N 2 0 337.508 1.678 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005499037 709275212 /nfs/dbraw/zinc/27/52/12/709275212.db2.gz XHAHGZCOGANXPK-DLBZAZTESA-N 2 0 339.524 1.922 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034044434 709296633 /nfs/dbraw/zinc/29/66/33/709296633.db2.gz BABVXDGDAPLWJQ-MAUKXSAKSA-N 2 0 333.476 1.665 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001034046156 709298851 /nfs/dbraw/zinc/29/88/51/709298851.db2.gz UYQTXNAEEKVMMP-QZTJIDSGSA-N 2 0 345.487 1.940 20 0 EDADRP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002831557 709442466 /nfs/dbraw/zinc/44/24/66/709442466.db2.gz HPDYBPCZCUBBAK-AWEZNQCLSA-N 2 0 333.398 1.861 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCOC3CCC3)CC2)CC[N@@H+]1C ZINC001002859217 709467076 /nfs/dbraw/zinc/46/70/76/709467076.db2.gz KZOMKKPIOMKISV-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CCC(CC)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001002873366 709493769 /nfs/dbraw/zinc/49/37/69/709493769.db2.gz BIPHTEWNCXXMDP-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001034284873 709687290 /nfs/dbraw/zinc/68/72/90/709687290.db2.gz ORCFWHCQNHMJLK-OAHLLOKOSA-N 2 0 330.432 1.873 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002996051 709744158 /nfs/dbraw/zinc/74/41/58/709744158.db2.gz VEHMYNKNOLRKEW-HOTGVXAUSA-N 2 0 325.497 1.580 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340465 709804833 /nfs/dbraw/zinc/80/48/33/709804833.db2.gz NWVOJELLJAZGIQ-JKSUJKDBSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445179 709989904 /nfs/dbraw/zinc/98/99/04/709989904.db2.gz QLDZJADUWQEPQQ-MAUKXSAKSA-N 2 0 333.476 1.713 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034606867 710270059 /nfs/dbraw/zinc/27/00/59/710270059.db2.gz GVIWRXNQHVLCGQ-NMFUWQPSSA-N 2 0 334.468 1.285 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)oc1C ZINC001034613169 710288459 /nfs/dbraw/zinc/28/84/59/710288459.db2.gz XKBPAJSCXUYOTM-BZUAXINKSA-N 2 0 334.464 1.903 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034608278 710300258 /nfs/dbraw/zinc/30/02/58/710300258.db2.gz YVHPPTCIECJPPI-IIDMSEBBSA-N 2 0 345.491 1.441 20 0 EDADRP Cc1noc([C@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034648979 710325585 /nfs/dbraw/zinc/32/55/85/710325585.db2.gz ZBDGXWXTRGGROL-PTNZTPPNSA-N 2 0 349.479 1.796 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)CC1 ZINC001003544274 710412447 /nfs/dbraw/zinc/41/24/47/710412447.db2.gz NXMBCAIXAZQSAR-UHFFFAOYSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628500 710458671 /nfs/dbraw/zinc/45/86/71/710458671.db2.gz RBDGSIAXVPEWAS-DYVFJYSZSA-N 2 0 329.460 1.160 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)C1CCC1 ZINC001003631795 710460673 /nfs/dbraw/zinc/46/06/73/710460673.db2.gz VHAGWASZNBMMFC-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC001034673979 710637414 /nfs/dbraw/zinc/63/74/14/710637414.db2.gz IJRAVGDIRSZBRQ-JFIYKMOQSA-N 2 0 345.491 1.786 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005594476 710655488 /nfs/dbraw/zinc/65/54/88/710655488.db2.gz ZLBBVTRQDUDJRS-WMZOPIPTSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003842094 710677877 /nfs/dbraw/zinc/67/78/77/710677877.db2.gz VAGCMGPLBOVHOJ-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1COCCN1CC1CCC1 ZINC001034701282 710805339 /nfs/dbraw/zinc/80/53/39/710805339.db2.gz VVSWGIANONXFIC-BRWVUGGUSA-N 2 0 341.471 1.474 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)C1 ZINC001034711504 710867895 /nfs/dbraw/zinc/86/78/95/710867895.db2.gz BJUFOAFGRZAOOD-YVSFHVDLSA-N 2 0 325.497 1.506 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC001034734082 710915318 /nfs/dbraw/zinc/91/53/18/710915318.db2.gz JXPPTSNUFILLTC-FVQBIDKESA-N 2 0 334.464 1.842 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)on1 ZINC001034734803 710917923 /nfs/dbraw/zinc/91/79/23/710917923.db2.gz ZJNHMWQJRWBDLF-FVQBIDKESA-N 2 0 334.464 1.842 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034734805 710918089 /nfs/dbraw/zinc/91/80/89/710918089.db2.gz ZOGQGEXZMCFUTN-ULQDDVLXSA-N 2 0 347.507 1.762 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032960411 710968958 /nfs/dbraw/zinc/96/89/58/710968958.db2.gz SDACGBAWZLIYIM-AEFFLSMTSA-N 2 0 331.460 1.822 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032959188 710983399 /nfs/dbraw/zinc/98/33/99/710983399.db2.gz FHPROFBAIOISNH-PKOBYXMFSA-N 2 0 345.487 1.865 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)CC1 ZINC001034768504 711027651 /nfs/dbraw/zinc/02/76/51/711027651.db2.gz HICRLPVWRJKKIR-DJIMGWMZSA-N 2 0 325.497 1.505 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC001034775545 711049609 /nfs/dbraw/zinc/04/96/09/711049609.db2.gz CKVIRQOLVMSTTG-MHORFTMASA-N 2 0 337.508 1.772 20 0 EDADRP Cn1cncc1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1 ZINC001034777900 711057237 /nfs/dbraw/zinc/05/72/37/711057237.db2.gz MIDGYDUQYSGTTQ-ZOBUZTSGSA-N 2 0 334.464 1.549 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794444 711111019 /nfs/dbraw/zinc/11/10/19/711111019.db2.gz IEDASBJQMNRBNN-WKILWMFISA-N 2 0 348.495 1.219 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001034792391 711119029 /nfs/dbraw/zinc/11/90/29/711119029.db2.gz ILDYHXHXBRNUAW-JYJNAYRXSA-N 2 0 333.480 1.197 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034793191 711121638 /nfs/dbraw/zinc/12/16/38/711121638.db2.gz RUGPYABBSKZDNP-BZUAXINKSA-N 2 0 334.464 1.760 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003967184 711137584 /nfs/dbraw/zinc/13/75/84/711137584.db2.gz IWXKLRGFODPBAV-INIZCTEOSA-N 2 0 330.476 1.812 20 0 EDADRP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001034830765 711236598 /nfs/dbraw/zinc/23/65/98/711236598.db2.gz CUYYKHLAKIEBOQ-QGZVFWFLSA-N 2 0 341.459 1.278 20 0 EDADRP CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001034884989 711289159 /nfs/dbraw/zinc/28/91/59/711289159.db2.gz OEOXWIFUZWTQOS-IAGOWNOFSA-N 2 0 333.480 1.639 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCCF)CC1 ZINC001005742720 711365025 /nfs/dbraw/zinc/36/50/25/711365025.db2.gz TZIJICOCXGPZQS-HQVVEAJESA-N 2 0 339.455 1.132 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001034958516 711432400 /nfs/dbraw/zinc/43/24/00/711432400.db2.gz JWLDREFPKCACSI-AEFFLSMTSA-N 2 0 346.475 1.511 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001034959285 711433802 /nfs/dbraw/zinc/43/38/02/711433802.db2.gz WFOCOOCWDRPBIP-SJORKVTESA-N 2 0 334.439 1.642 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939827 711442826 /nfs/dbraw/zinc/44/28/26/711442826.db2.gz NKUGAGLSPZPDSE-FVQBIDKESA-N 2 0 334.464 1.712 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)cn1 ZINC001034940251 711443409 /nfs/dbraw/zinc/44/34/09/711443409.db2.gz ANGYHODYECWOEJ-QZTJIDSGSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)ncn1 ZINC001034940689 711444451 /nfs/dbraw/zinc/44/44/51/711444451.db2.gz HKQKYQQXGAUBPF-QZTJIDSGSA-N 2 0 343.475 1.207 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CC2CCOCC2)CC[N@@H+]1C ZINC001034941519 711446568 /nfs/dbraw/zinc/44/65/68/711446568.db2.gz SULMKRHXWQGKTE-FGTMMUONSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004142921 711543003 /nfs/dbraw/zinc/54/30/03/711543003.db2.gz KVWBPSYUAXRIRL-CQSZACIVSA-N 2 0 336.505 1.792 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033142336 711948018 /nfs/dbraw/zinc/94/80/18/711948018.db2.gz RKABYRSJPMEJPO-RTBURBONSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144435 711979526 /nfs/dbraw/zinc/97/95/26/711979526.db2.gz XGJYUNHIUCPHFL-QZTJIDSGSA-N 2 0 337.508 1.819 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COCC(F)(F)F ZINC000367925467 282215792 /nfs/dbraw/zinc/21/57/92/282215792.db2.gz LUMKUDJGVVMMCK-SYQHCUMBSA-N 2 0 340.386 1.110 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H](C(N)=O)c2ccccc2)(N2CCCCC2)CC1 ZINC000174253282 530049389 /nfs/dbraw/zinc/04/93/89/530049389.db2.gz ZWQHCIMOWSJRPH-GOSISDBHSA-N 2 0 344.503 1.753 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000178104539 232083911 /nfs/dbraw/zinc/08/39/11/232083911.db2.gz VZQYBFKJXKYZLB-KRWDZBQOSA-N 2 0 331.460 1.543 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412208314 303983756 /nfs/dbraw/zinc/98/37/56/303983756.db2.gz ORHHNCHQTHIPKT-LJQANCHMSA-N 2 0 333.476 1.715 20 0 EDADRP O=C(C[NH2+]CC1Cc2ccccc2C1)NCC[NH+]1CCCCCC1 ZINC000560547216 306274073 /nfs/dbraw/zinc/27/40/73/306274073.db2.gz OYPRRFXFHRJTJZ-UHFFFAOYSA-N 2 0 329.488 1.983 20 0 EDADRP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000560970742 306281350 /nfs/dbraw/zinc/28/13/50/306281350.db2.gz TXQGYLDFGGCULA-KURKYZTESA-N 2 0 344.507 1.109 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000561193889 306284228 /nfs/dbraw/zinc/28/42/28/306284228.db2.gz SEQQHJMSDMZZEV-XZKMEQPCSA-N 2 0 331.435 1.635 20 0 EDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000358914964 282688854 /nfs/dbraw/zinc/68/88/54/282688854.db2.gz NFFCWSZUOKXKOF-KRWDZBQOSA-N 2 0 340.475 1.734 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000371055237 282714709 /nfs/dbraw/zinc/71/47/09/282714709.db2.gz OFKSDYIXOLBNLT-MRXNPFEDSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H]1C[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000180999017 234056609 /nfs/dbraw/zinc/05/66/09/234056609.db2.gz KSAUNFKXKOBACU-MAUKXSAKSA-N 2 0 332.492 1.550 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000562808604 306309975 /nfs/dbraw/zinc/30/99/75/306309975.db2.gz DYIOERSDYZSDEF-GOEBONIOSA-N 2 0 331.464 1.738 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839197 306311004 /nfs/dbraw/zinc/31/10/04/306311004.db2.gz FFLUEVPQHUHTGK-MOPGFXCFSA-N 2 0 345.487 1.863 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000563012668 306315949 /nfs/dbraw/zinc/31/59/49/306315949.db2.gz UZBGGKYBRATTIY-OTWHNJEPSA-N 2 0 333.476 1.105 20 0 EDADRP CCC[C@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000412782795 304037117 /nfs/dbraw/zinc/03/71/17/304037117.db2.gz XNSRTHMEEMPQAQ-GOSISDBHSA-N 2 0 347.503 1.860 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000360886074 283175865 /nfs/dbraw/zinc/17/58/65/283175865.db2.gz FMHSRVAGBFIUAO-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000236682197 535315871 /nfs/dbraw/zinc/31/58/71/535315871.db2.gz AETICVABLNBHAW-SFHVURJKSA-N 2 0 332.492 1.688 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073236460 138215716 /nfs/dbraw/zinc/21/57/16/138215716.db2.gz LIZLFGVADJJNIM-UHFFFAOYSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355066268 295934130 /nfs/dbraw/zinc/93/41/30/295934130.db2.gz SYBVTQIPSIKHEJ-OAGGEKHMSA-N 2 0 340.512 1.109 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCCCN1CCOCC1 ZINC000123810603 138321623 /nfs/dbraw/zinc/32/16/23/138321623.db2.gz JAVGCLKVGADLOA-UHFFFAOYSA-N 2 0 348.491 1.482 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000133852187 138399081 /nfs/dbraw/zinc/39/90/81/138399081.db2.gz OIGUJOSUZOZRAZ-OAHLLOKOSA-N 2 0 339.530 1.924 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000186981835 236084976 /nfs/dbraw/zinc/08/49/76/236084976.db2.gz UODBTZTXCCDPTE-HNNXBMFYSA-N 2 0 333.476 1.665 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000354543870 291120855 /nfs/dbraw/zinc/12/08/55/291120855.db2.gz OASMFNHIFZWZKC-VYDXJSESSA-N 2 0 325.497 1.580 20 0 EDADRP CCc1ccc([C@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)N(C)C)cc1 ZINC000564057798 306354429 /nfs/dbraw/zinc/35/44/29/306354429.db2.gz HASRBUFVLKAKGV-PMACEKPBSA-N 2 0 348.535 1.050 20 0 EDADRP CC[C@H](C(=O)NCc1ncccc1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000413708422 304074196 /nfs/dbraw/zinc/07/41/96/304074196.db2.gz JIZQOVMAZMNBPS-HZPDHXFCSA-N 2 0 349.479 1.317 20 0 EDADRP CCn1ccnc1CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000564329477 306358790 /nfs/dbraw/zinc/35/87/90/306358790.db2.gz UOPKULRYDAHIKC-IAGOWNOFSA-N 2 0 331.508 1.847 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000336877791 283433768 /nfs/dbraw/zinc/43/37/68/283433768.db2.gz WMHYUSRMSINFNC-WMZOPIPTSA-N 2 0 337.508 1.997 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000564792862 306365062 /nfs/dbraw/zinc/36/50/62/306365062.db2.gz KCDYLKOCZCKPJN-MOPGFXCFSA-N 2 0 349.519 1.596 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000564803222 306365631 /nfs/dbraw/zinc/36/56/31/306365631.db2.gz PSKLGDQSBPLPHK-UHFFFAOYSA-N 2 0 344.503 1.392 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837926 306366396 /nfs/dbraw/zinc/36/63/96/306366396.db2.gz SEXSGXYRODXWOR-YVWKXTFCSA-N 2 0 327.472 1.860 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCc2cccc(Cl)c2)CC1 ZINC000564847996 306367033 /nfs/dbraw/zinc/36/70/33/306367033.db2.gz SEQVTMRAYHYFKF-KRWDZBQOSA-N 2 0 325.884 1.471 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000182358444 138775699 /nfs/dbraw/zinc/77/56/99/138775699.db2.gz MGIGIHFJHBJWEB-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000564870585 306367978 /nfs/dbraw/zinc/36/79/78/306367978.db2.gz AHORPIHHNUKSRO-MSOLQXFVSA-N 2 0 347.503 1.313 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000129455200 223057539 /nfs/dbraw/zinc/05/75/39/223057539.db2.gz MXFSCUNSQMWSMY-MRXNPFEDSA-N 2 0 345.491 1.639 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417743435 283638919 /nfs/dbraw/zinc/63/89/19/283638919.db2.gz XBUVVKIUIGEVTJ-GOSISDBHSA-N 2 0 344.503 1.869 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000565646562 306388754 /nfs/dbraw/zinc/38/87/54/306388754.db2.gz FASKSCQOLFUGCJ-QGZVFWFLSA-N 2 0 330.476 1.875 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000565954165 306395658 /nfs/dbraw/zinc/39/56/58/306395658.db2.gz MZDOKOVCHZEDSR-SJLPKXTDSA-N 2 0 328.460 1.647 20 0 EDADRP Cc1cccc(CC[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414480759 304117989 /nfs/dbraw/zinc/11/79/89/304117989.db2.gz JPXRTKKYYCBBSS-UHFFFAOYSA-N 2 0 331.504 1.924 20 0 EDADRP CN(C)c1ccccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414487096 304118990 /nfs/dbraw/zinc/11/89/90/304118990.db2.gz RXNOZOVARKDXIC-UHFFFAOYSA-N 2 0 346.519 1.639 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414696547 304128733 /nfs/dbraw/zinc/12/87/33/304128733.db2.gz GKMJEUFPAFGKGR-ZIAGYGMSSA-N 2 0 332.448 1.493 20 0 EDADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414700202 304129506 /nfs/dbraw/zinc/12/95/06/304129506.db2.gz JEOCLFAETYJUKQ-UHFFFAOYSA-N 2 0 330.432 1.076 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000414740375 304135271 /nfs/dbraw/zinc/13/52/71/304135271.db2.gz GGUHEBBVOWEZPB-CQSZACIVSA-N 2 0 346.475 1.835 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000414740187 304135117 /nfs/dbraw/zinc/13/51/17/304135117.db2.gz JOCXUBHCPXUYIV-CABCVRRESA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414747044 304136641 /nfs/dbraw/zinc/13/66/41/304136641.db2.gz GQAUWCMUCDMUOQ-CZUORRHYSA-N 2 0 334.464 1.737 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000414765211 304138712 /nfs/dbraw/zinc/13/87/12/304138712.db2.gz ZNBBQLNWSDEELU-HOTGVXAUSA-N 2 0 348.466 1.770 20 0 EDADRP COCCN(C)c1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cn1 ZINC000414780249 304139737 /nfs/dbraw/zinc/13/97/37/304139737.db2.gz LDXPHKNTUXFUNA-KRWDZBQOSA-N 2 0 348.491 1.352 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H](O)COC2CCOCC2)cc1F ZINC000566557315 306419399 /nfs/dbraw/zinc/41/93/99/306419399.db2.gz VTVGTMBLPMCREX-INIZCTEOSA-N 2 0 340.439 1.533 20 0 EDADRP COc1ccc(OC)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414991484 304148585 /nfs/dbraw/zinc/14/85/85/304148585.db2.gz QHVLANLFBCIEAB-APWZRJJASA-N 2 0 347.459 1.440 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414991022 304148671 /nfs/dbraw/zinc/14/86/71/304148671.db2.gz PWYUAMOZKFKQTN-MYZZLAAOSA-N 3 0 336.524 1.534 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000566892152 306431752 /nfs/dbraw/zinc/43/17/52/306431752.db2.gz ZKKNSDCHUXFALE-MSOLQXFVSA-N 2 0 344.503 1.622 20 0 EDADRP COc1cc(CN2CC[C@@H]([NH2+]C[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077083 304157728 /nfs/dbraw/zinc/15/77/28/304157728.db2.gz DSMBJZIBQJWPLL-APWZRJJASA-N 2 0 333.476 1.867 20 0 EDADRP CC(C)C[C@H]([NH3+])CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092975 304159263 /nfs/dbraw/zinc/15/92/63/304159263.db2.gz UOKLKHOBXLWTHO-MOPGFXCFSA-N 2 0 346.519 1.847 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCO[C@@H](C[NH3+])C1 ZINC000415102903 304160208 /nfs/dbraw/zinc/16/02/08/304160208.db2.gz DZHRZDYEVMXXGO-HNNXBMFYSA-N 2 0 338.452 1.001 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)Nc1ccccc1OCCn1ccnc1 ZINC000415153935 304166363 /nfs/dbraw/zinc/16/63/63/304166363.db2.gz JNVOFIAWTXXKPW-AWEZNQCLSA-N 2 0 331.420 1.939 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000415157092 304167278 /nfs/dbraw/zinc/16/72/78/304167278.db2.gz CWLRNHWAKHWPNJ-LXZKKBNFSA-N 2 0 344.459 1.588 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415156534 304167043 /nfs/dbraw/zinc/16/70/43/304167043.db2.gz ZUVVKKLJBBUJGX-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000236661677 139027972 /nfs/dbraw/zinc/02/79/72/139027972.db2.gz CTORYYKPQJXBHK-KZNAEPCWSA-N 2 0 331.460 1.299 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C(C)(C)[NH3+])cc1OC ZINC000236870554 139033938 /nfs/dbraw/zinc/03/39/38/139033938.db2.gz YJUJRMWTAARBBL-UHFFFAOYSA-N 2 0 337.464 1.769 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236951291 139036276 /nfs/dbraw/zinc/03/62/76/139036276.db2.gz BQCDLXWFNQLYSS-QAPCUYQASA-N 2 0 332.492 1.424 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000236959802 139036525 /nfs/dbraw/zinc/03/65/25/139036525.db2.gz JHKCTJBMWGRZBG-SFHVURJKSA-N 2 0 330.476 1.192 20 0 EDADRP CC[C@H](NC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000237025804 139038479 /nfs/dbraw/zinc/03/84/79/139038479.db2.gz WGSNITDMPGQGLO-YRXWBPOGSA-N 2 0 345.487 1.910 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237068540 139039627 /nfs/dbraw/zinc/03/96/27/139039627.db2.gz MZGIBOFXOITWPW-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)c2)CC1 ZINC000237219428 139044714 /nfs/dbraw/zinc/04/47/14/139044714.db2.gz ZBWJHFDXICUHFM-SFHVURJKSA-N 2 0 346.475 1.141 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000415179281 304171498 /nfs/dbraw/zinc/17/14/98/304171498.db2.gz DGHYOLHJJZFNMZ-UHFFFAOYSA-N 2 0 330.432 1.041 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000237486624 139052367 /nfs/dbraw/zinc/05/23/67/139052367.db2.gz NZDIWIFMVNSIHV-KGLIPLIRSA-N 2 0 334.468 1.053 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000237991112 139065950 /nfs/dbraw/zinc/06/59/50/139065950.db2.gz OKPFAUJRNMAOQZ-HNAYVOBHSA-N 2 0 343.471 1.318 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000238134974 139069510 /nfs/dbraw/zinc/06/95/10/139069510.db2.gz CWAFEYMAKFGITJ-UHFFFAOYSA-N 2 0 337.508 1.775 20 0 EDADRP Cc1cc(NC(=O)N[C@@H](C[NH3+])CC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000415252366 304179446 /nfs/dbraw/zinc/17/94/46/304179446.db2.gz ODPMOIOLDUOLNL-CQSZACIVSA-N 2 0 336.484 1.953 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415372153 304206829 /nfs/dbraw/zinc/20/68/29/304206829.db2.gz UTFAUPQDBOCZKT-UHFFFAOYSA-N 2 0 346.475 1.379 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c2C1 ZINC000415377800 304208368 /nfs/dbraw/zinc/20/83/68/304208368.db2.gz GLQXJMAVPKVPGU-CYBMUJFWSA-N 2 0 346.475 1.839 20 0 EDADRP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000248400199 139162030 /nfs/dbraw/zinc/16/20/30/139162030.db2.gz KREKNQSFSPUVIG-CEXWTWQISA-N 2 0 330.472 1.886 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000415404747 304214720 /nfs/dbraw/zinc/21/47/20/304214720.db2.gz BRVTUQKLEPESHG-HNNXBMFYSA-N 2 0 346.475 1.501 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000248930817 139180896 /nfs/dbraw/zinc/18/08/96/139180896.db2.gz XTSIOZKTQQOYIG-MAUKXSAKSA-N 2 0 330.476 1.900 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112214565 220264453 /nfs/dbraw/zinc/26/44/53/220264453.db2.gz FDUGOWZGPOJSIY-UHFFFAOYSA-N 2 0 342.553 1.989 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C)C(C)C ZINC000410475621 250320396 /nfs/dbraw/zinc/32/03/96/250320396.db2.gz MZSUFZMTSBEGKH-MRXNPFEDSA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCO[C@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424284603 296294159 /nfs/dbraw/zinc/29/41/59/296294159.db2.gz DHEAFWZWNVTYJS-ZACQAIPSSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@]1(C[NH3+])CCN(CC(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000261649169 139214416 /nfs/dbraw/zinc/21/44/16/139214416.db2.gz DYYMMBKZIYUJOY-HXUWFJFHSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261740518 139222130 /nfs/dbraw/zinc/22/21/30/139222130.db2.gz IKLGIZCNFIJUOX-WDBKCZKBSA-N 2 0 340.265 1.737 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261892429 139234561 /nfs/dbraw/zinc/23/45/61/139234561.db2.gz QRUFIYJKLZFCMK-SJLPKXTDSA-N 2 0 344.503 1.833 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261913102 139236454 /nfs/dbraw/zinc/23/64/54/139236454.db2.gz YPKKYXUOEWGSPQ-IBGZPJMESA-N 3 0 338.540 1.402 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940236 139238840 /nfs/dbraw/zinc/23/88/40/139238840.db2.gz LCTRDKDFWVBYQZ-DZGCQCFKSA-N 2 0 325.478 1.496 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000261966655 139240541 /nfs/dbraw/zinc/24/05/41/139240541.db2.gz BMEGWBBZWPHVOT-HOCLYGCPSA-N 2 0 338.496 1.712 20 0 EDADRP CC1(C)CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262019768 139244388 /nfs/dbraw/zinc/24/43/88/139244388.db2.gz AFFVYOYBXKCJLR-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000262027183 139244768 /nfs/dbraw/zinc/24/47/68/139244768.db2.gz ZZUCEAMTAOBOGZ-DGFSRKRXSA-N 2 0 340.265 1.819 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000262064788 139247947 /nfs/dbraw/zinc/24/79/47/139247947.db2.gz OISDOGRMOXBDJB-UKRRQHHQSA-N 2 0 325.478 1.496 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CCCC2)CC1 ZINC000262129159 139253480 /nfs/dbraw/zinc/25/34/80/139253480.db2.gz ICISCUQOSJYVQK-UHFFFAOYSA-N 2 0 344.503 1.712 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000415554873 251007788 /nfs/dbraw/zinc/00/77/88/251007788.db2.gz BKYKLXIUKDFDAY-CQSZACIVSA-N 2 0 326.391 1.909 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCCC[NH3+])cc2)C1 ZINC000415561459 251014604 /nfs/dbraw/zinc/01/46/04/251014604.db2.gz HRULZHWXBIRVJY-HNNXBMFYSA-N 2 0 346.475 1.712 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@@H+]1C[C@H](C)O ZINC000415941076 251036909 /nfs/dbraw/zinc/03/69/09/251036909.db2.gz GFOBZRZDFYXNNZ-WMLDXEAASA-N 2 0 334.464 1.715 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415967486 251040487 /nfs/dbraw/zinc/04/04/87/251040487.db2.gz WRKIZGWIUAJMDS-HNNXBMFYSA-N 2 0 333.480 1.949 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000262256765 139264158 /nfs/dbraw/zinc/26/41/58/139264158.db2.gz FLJYUPZHIFEHEC-CRAIPNDOSA-N 2 0 345.487 1.777 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416999236 251124459 /nfs/dbraw/zinc/12/44/59/251124459.db2.gz BSDLTENILUCMKA-QZTJIDSGSA-N 2 0 332.492 1.848 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417307551 251153929 /nfs/dbraw/zinc/15/39/29/251153929.db2.gz BXAWHJRTIWUIFF-ARFHVFGLSA-N 2 0 330.476 1.812 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000417318017 251157733 /nfs/dbraw/zinc/15/77/33/251157733.db2.gz XVJRMNWJOBXCJF-AWEZNQCLSA-N 2 0 336.436 1.046 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519681 251183131 /nfs/dbraw/zinc/18/31/31/251183131.db2.gz VQWCEGUWEYFASY-ZWKOTPCHSA-N 2 0 348.491 1.747 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417542856 251184865 /nfs/dbraw/zinc/18/48/65/251184865.db2.gz FBHHCPSEYVQOIQ-ZFWWWQNUSA-N 2 0 326.485 1.173 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262372818 139274102 /nfs/dbraw/zinc/27/41/02/139274102.db2.gz WJUOQVCJQMUFQB-KRWDZBQOSA-N 2 0 345.491 1.152 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594641 251201976 /nfs/dbraw/zinc/20/19/76/251201976.db2.gz WOIBDSKUOVBTID-QFBILLFUSA-N 2 0 348.491 1.575 20 0 EDADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400655 139276394 /nfs/dbraw/zinc/27/63/94/139276394.db2.gz OEIWTJFHIPASRM-MOPGFXCFSA-N 2 0 345.487 1.790 20 0 EDADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262395488 139275963 /nfs/dbraw/zinc/27/59/63/139275963.db2.gz ZEYVFIQYKWWMJG-FGTMMUONSA-N 2 0 331.460 1.473 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH2+]CC2)[C@@H](C)C1 ZINC000417668273 251220925 /nfs/dbraw/zinc/22/09/25/251220925.db2.gz JBXFGXOFFPICQV-RDJZCZTQSA-N 2 0 338.496 1.342 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC[NH2+]1 ZINC000417675436 251225133 /nfs/dbraw/zinc/22/51/33/251225133.db2.gz CANFYOCFRGDLMY-RHSMWYFYSA-N 2 0 328.501 1.421 20 0 EDADRP CCn1cncc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000417759170 251259623 /nfs/dbraw/zinc/25/96/23/251259623.db2.gz PQQSQAJPTNXMGP-UHFFFAOYSA-N 2 0 349.523 1.819 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262456766 139280354 /nfs/dbraw/zinc/28/03/54/139280354.db2.gz IESUYVWFLIYKIN-RVKKMQEKSA-N 2 0 333.476 1.532 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C[NH3+])C[C@H]3C)CC2)nc1 ZINC000417724229 251243030 /nfs/dbraw/zinc/24/30/30/251243030.db2.gz DIUSQQOXIFKTKI-CABCVRRESA-N 2 0 331.464 1.738 20 0 EDADRP CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@H]([NH3+])c1ccccc1 ZINC000417836436 251292749 /nfs/dbraw/zinc/29/27/49/251292749.db2.gz ORSZRWFQBBREFB-DLBZAZTESA-N 2 0 345.487 1.927 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000417804964 251276062 /nfs/dbraw/zinc/27/60/62/251276062.db2.gz GZHXDXVAKKWLKB-ZBFHGGJFSA-N 2 0 326.485 1.302 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417801797 251276395 /nfs/dbraw/zinc/27/63/95/251276395.db2.gz DDUGOUHYJRIQIR-HOCLYGCPSA-N 2 0 326.485 1.173 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417808328 251279284 /nfs/dbraw/zinc/27/92/84/251279284.db2.gz LDQBKERERDUGLM-OAHLLOKOSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000417821245 251283064 /nfs/dbraw/zinc/28/30/64/251283064.db2.gz IHPOUYVVWNBBTO-BHYGNILZSA-N 2 0 339.443 1.444 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000418110489 251324951 /nfs/dbraw/zinc/32/49/51/251324951.db2.gz FESZAZMDZKPUBA-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000418113653 251326581 /nfs/dbraw/zinc/32/65/81/251326581.db2.gz JXBQHGLVPKYFFS-ULQDDVLXSA-N 2 0 340.512 1.552 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000418111111 251326791 /nfs/dbraw/zinc/32/67/91/251326791.db2.gz GJMDVUXGWYXHEN-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000418435976 251370137 /nfs/dbraw/zinc/37/01/37/251370137.db2.gz BIILKNCNBOQVEE-MRXNPFEDSA-N 2 0 326.485 1.258 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000418476389 251373537 /nfs/dbraw/zinc/37/35/37/251373537.db2.gz TZJAQTZTFBKGGQ-QGZVFWFLSA-N 2 0 340.512 1.504 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418197551 251355327 /nfs/dbraw/zinc/35/53/27/251355327.db2.gz TWWRZCZATKOWEX-BGTYHANMSA-N 2 0 328.460 1.653 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000418305974 251357656 /nfs/dbraw/zinc/35/76/56/251357656.db2.gz IZJYZOWOVUVWLS-UHFFFAOYSA-N 2 0 336.867 1.919 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418408649 251365802 /nfs/dbraw/zinc/36/58/02/251365802.db2.gz NQRZYSOFODIVRK-MRXNPFEDSA-N 2 0 327.517 1.029 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418531581 251377394 /nfs/dbraw/zinc/37/73/94/251377394.db2.gz BLXCCTYPYBBJQJ-IBGZPJMESA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000262638672 139292194 /nfs/dbraw/zinc/29/21/94/139292194.db2.gz JETMZSKZINLCEO-IAGOWNOFSA-N 2 0 331.460 1.957 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262653211 139293307 /nfs/dbraw/zinc/29/33/07/139293307.db2.gz SNNFXLOEGQXOBH-XHSDSOJGSA-N 2 0 344.459 1.450 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262653106 139293404 /nfs/dbraw/zinc/29/34/04/139293404.db2.gz SDGFDHGGJUHSMN-FUHWJXTLSA-N 2 0 332.492 1.466 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262659085 139293882 /nfs/dbraw/zinc/29/38/82/139293882.db2.gz FLJOHVMPCLUJOZ-ZDUSSCGKSA-N 2 0 347.463 1.696 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000262646392 139292868 /nfs/dbraw/zinc/29/28/68/139292868.db2.gz ODBKQNKTWMYSBT-HOTGVXAUSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262850954 139308010 /nfs/dbraw/zinc/30/80/10/139308010.db2.gz SHIQUHPTBDUDLJ-AEFFLSMTSA-N 2 0 332.492 1.609 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902278 252016618 /nfs/dbraw/zinc/01/66/18/252016618.db2.gz MPUXAODWFXYPGI-YQQAZPJKSA-N 2 0 347.459 1.418 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423344335 252047022 /nfs/dbraw/zinc/04/70/22/252047022.db2.gz XQTXYOFNNYJVLE-OWCLPIDISA-N 2 0 347.507 1.975 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)N2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423507775 252056623 /nfs/dbraw/zinc/05/66/23/252056623.db2.gz KGFSZJHFKHSIJT-DVOMOZLQSA-N 2 0 325.478 1.572 20 0 EDADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424048421 252124706 /nfs/dbraw/zinc/12/47/06/252124706.db2.gz ZTNGMJZTMNTAJB-DLBZAZTESA-N 2 0 347.484 1.048 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1(C)C ZINC000423787068 252073645 /nfs/dbraw/zinc/07/36/45/252073645.db2.gz VWYSWGRUYJFBJR-YYAJDYIMSA-N 2 0 337.508 1.993 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)C1 ZINC000423790433 252075320 /nfs/dbraw/zinc/07/53/20/252075320.db2.gz GOWSBKHCHFQACA-NLWGTHIKSA-N 2 0 342.487 1.752 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000424161031 252149306 /nfs/dbraw/zinc/14/93/06/252149306.db2.gz BDYPSGVORMKJMH-QZTJIDSGSA-N 2 0 336.524 1.570 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000424132123 252136278 /nfs/dbraw/zinc/13/62/78/252136278.db2.gz KJTZTTQZLBDXHJ-INIZCTEOSA-N 2 0 346.479 1.151 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424226773 252171720 /nfs/dbraw/zinc/17/17/20/252171720.db2.gz SKUNRWGZKIAHMO-SFHVURJKSA-N 2 0 339.443 1.658 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000424468817 252240498 /nfs/dbraw/zinc/24/04/98/252240498.db2.gz PSJMHMNYROSBBY-NVXWUHKLSA-N 2 0 344.459 1.335 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000424443368 252233667 /nfs/dbraw/zinc/23/36/67/252233667.db2.gz XPCUHOWTSRVJAY-OAHLLOKOSA-N 2 0 346.475 1.773 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000424449937 252235699 /nfs/dbraw/zinc/23/56/99/252235699.db2.gz UXRTWMMCCRJWBN-AWEZNQCLSA-N 2 0 332.448 1.240 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@@H]1CC ZINC000263031726 139318810 /nfs/dbraw/zinc/31/88/10/139318810.db2.gz RZOUANJWQSAPHT-BQFCYCMXSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263184944 139327109 /nfs/dbraw/zinc/32/71/09/139327109.db2.gz HENLDMXWDNVYSF-XPKDYRNWSA-N 2 0 339.867 1.247 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000167594194 533064297 /nfs/dbraw/zinc/06/42/97/533064297.db2.gz YRNGVNZUHILXMQ-MQVJKMGUSA-N 2 0 344.459 1.660 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)ccc21 ZINC000415682710 304255773 /nfs/dbraw/zinc/25/57/73/304255773.db2.gz BSLREBHKJZSAFE-QFBILLFUSA-N 2 0 344.459 1.371 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000112748168 220396916 /nfs/dbraw/zinc/39/69/16/220396916.db2.gz SEYVFEDUUZUXSQ-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455662896 254850068 /nfs/dbraw/zinc/85/00/68/254850068.db2.gz WPXIRIFXOPMFCW-UHFFFAOYSA-N 2 0 336.484 1.784 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000471643572 255015457 /nfs/dbraw/zinc/01/54/57/255015457.db2.gz RFFYAIWAZCTTPB-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000154304599 224234388 /nfs/dbraw/zinc/23/43/88/224234388.db2.gz DEXQYQKXPLLMBI-HNNXBMFYSA-N 2 0 334.464 1.837 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000491889511 255154152 /nfs/dbraw/zinc/15/41/52/255154152.db2.gz VZZIWOBVMRJSNT-DHINHOHASA-N 2 0 344.459 1.440 20 0 EDADRP Cc1ccsc1[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000494667309 255256768 /nfs/dbraw/zinc/25/67/68/255256768.db2.gz NXLQTNQSCPJBSR-HNNXBMFYSA-N 2 0 337.489 1.423 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495026210 255266150 /nfs/dbraw/zinc/26/61/50/255266150.db2.gz IZVMPVUMGMTFIP-INIZCTEOSA-N 2 0 334.464 1.559 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH2+]1 ZINC000496337855 255383078 /nfs/dbraw/zinc/38/30/78/255383078.db2.gz FFXSXOCZZDCDEN-QLFBSQMISA-N 2 0 327.469 1.600 20 0 EDADRP CN(C[C@@H](O)C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496231830 255367494 /nfs/dbraw/zinc/36/74/94/255367494.db2.gz ZXCYFLRECRSVQK-OAHLLOKOSA-N 2 0 329.485 1.488 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)c1 ZINC000415825797 304277798 /nfs/dbraw/zinc/27/77/98/304277798.db2.gz BCNKBVHRTPKWFP-CZUORRHYSA-N 2 0 332.448 1.273 20 0 EDADRP CC[NH+]1CCN(CC2(CN3CC[N@@H+](CC)C[C@H]3C)COC2)[C@H](C)C1 ZINC000352665127 285314446 /nfs/dbraw/zinc/31/44/46/285314446.db2.gz DTGWQKCPLVETBH-QZTJIDSGSA-N 2 0 338.540 1.055 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000119562427 221348468 /nfs/dbraw/zinc/34/84/68/221348468.db2.gz XMDNDLCOCDLBKQ-SFHVURJKSA-N 2 0 332.492 1.466 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000264280440 139393033 /nfs/dbraw/zinc/39/30/33/139393033.db2.gz GXJVGPIKNJAKEQ-IRXDYDNUSA-N 2 0 347.503 1.888 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)oc1C ZINC000264274743 139392449 /nfs/dbraw/zinc/39/24/49/139392449.db2.gz CCABVCRKIMINSD-ZDUSSCGKSA-N 2 0 338.448 1.899 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000415915571 304285244 /nfs/dbraw/zinc/28/52/44/304285244.db2.gz ZHNGRQGGMXXJIJ-GOEBONIOSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(CO)CC1 ZINC000186795972 533298518 /nfs/dbraw/zinc/29/85/18/533298518.db2.gz UNMXBNRQNSAAEJ-FUHWJXTLSA-N 2 0 345.487 1.470 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000266183898 139520031 /nfs/dbraw/zinc/52/00/31/139520031.db2.gz VORMKBNSUHINCS-MRXNPFEDSA-N 2 0 346.475 1.139 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810306 140354541 /nfs/dbraw/zinc/35/45/41/140354541.db2.gz NASQBDORJZNMMZ-HOTGVXAUSA-N 2 0 342.505 1.795 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000331615196 141057309 /nfs/dbraw/zinc/05/73/09/141057309.db2.gz SJBUCSYUAYGGJX-JOCBIADPSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000332035978 141113711 /nfs/dbraw/zinc/11/37/11/141113711.db2.gz ULOUJDWFSJEPQI-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000333186062 141277801 /nfs/dbraw/zinc/27/78/01/141277801.db2.gz SXMAJMKQUGWTKD-QZTJIDSGSA-N 2 0 343.475 1.995 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH2+][C@@H](C)C3)c(C)c2)CC1 ZINC000333202460 141280578 /nfs/dbraw/zinc/28/05/78/141280578.db2.gz YGPBCKPTLCTUOB-INIZCTEOSA-N 2 0 345.491 1.963 20 0 EDADRP Cn1ccnc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1=O ZINC000333256405 141288459 /nfs/dbraw/zinc/28/84/59/141288459.db2.gz HZBXSMYWFGUSRN-LUKYLMHMSA-N 2 0 345.491 1.259 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)Cc2ccccc2C1 ZINC000333433976 141316674 /nfs/dbraw/zinc/31/66/74/141316674.db2.gz VCPFIJKGMYPULE-KSZLIROESA-N 2 0 342.487 1.464 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000333528945 141331999 /nfs/dbraw/zinc/33/19/99/141331999.db2.gz HQEYAQGSAFERRZ-INIZCTEOSA-N 2 0 338.496 1.128 20 0 EDADRP O=C(NCc1cn2c(n1)CCCC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333612259 141344735 /nfs/dbraw/zinc/34/47/35/141344735.db2.gz QQUJNADCALZLIA-HUUCEWRRSA-N 2 0 331.464 1.751 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333634352 141348064 /nfs/dbraw/zinc/34/80/64/141348064.db2.gz SYRAAIUMJGOAOW-IAGOWNOFSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000333805437 141384745 /nfs/dbraw/zinc/38/47/45/141384745.db2.gz OSGAAGHHWFFCOT-FCLVOEFKSA-N 2 0 342.487 1.812 20 0 EDADRP CC(C)C[C@@H]([NH3+])c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000339388349 142034209 /nfs/dbraw/zinc/03/42/09/142034209.db2.gz WPUNRKDTRQPMIA-CQSZACIVSA-N 2 0 330.436 1.929 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1)C(C)C ZINC000339608573 142091858 /nfs/dbraw/zinc/09/18/58/142091858.db2.gz QJJZHPFVYJYTIF-MRXNPFEDSA-N 2 0 340.512 1.212 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000340184697 142295593 /nfs/dbraw/zinc/29/55/93/142295593.db2.gz ZHAHDWBVGQXVTH-QGZVFWFLSA-N 2 0 337.489 1.787 20 0 EDADRP CCC[NH+]1CCC([NH2+]C2CCN(CCCC(=O)OC)CC2)CC1 ZINC000342557795 142732175 /nfs/dbraw/zinc/73/21/75/142732175.db2.gz PRMAOMAHDZASNA-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000345294403 143074346 /nfs/dbraw/zinc/07/43/46/143074346.db2.gz BQNHUQZVJRGRHN-LSDHHAIUSA-N 2 0 331.464 1.046 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000345321758 143077764 /nfs/dbraw/zinc/07/77/64/143077764.db2.gz PYCRIMPXKJODAZ-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345706274 143123600 /nfs/dbraw/zinc/12/36/00/143123600.db2.gz GXINTQAUDGWBBY-CABCVRRESA-N 2 0 325.403 1.650 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000345722536 143125722 /nfs/dbraw/zinc/12/57/22/143125722.db2.gz CMQBSBAPPQJXFX-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCC[N@@H+]1C ZINC000345766641 143130931 /nfs/dbraw/zinc/13/09/31/143130931.db2.gz AKIABTVFKFYUGU-RDJZCZTQSA-N 2 0 333.480 1.638 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[N@H+](C)C1 ZINC000345852268 143139704 /nfs/dbraw/zinc/13/97/04/143139704.db2.gz LFDKFVIYBPELEK-HUUCEWRRSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000346000107 143155913 /nfs/dbraw/zinc/15/59/13/143155913.db2.gz YMRMNGYEBHTKFT-SJORKVTESA-N 2 0 335.492 1.765 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000346360760 143196480 /nfs/dbraw/zinc/19/64/80/143196480.db2.gz BUNWMCMILJZZNV-QFBILLFUSA-N 2 0 344.503 1.647 20 0 EDADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346616154 143222544 /nfs/dbraw/zinc/22/25/44/143222544.db2.gz WJXJWNPDPLTGRW-LJQANCHMSA-N 2 0 344.434 1.999 20 0 EDADRP COc1c(O)cccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346676772 143230361 /nfs/dbraw/zinc/23/03/61/143230361.db2.gz KJQANIGPQIYNPE-GDBMZVCRSA-N 2 0 347.459 1.481 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000347007877 143270561 /nfs/dbraw/zinc/27/05/61/143270561.db2.gz DPZGEZBTTVLXEE-INIZCTEOSA-N 2 0 341.459 1.672 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347040462 143275287 /nfs/dbraw/zinc/27/52/87/143275287.db2.gz KMHMCJZTGCPTAP-INIZCTEOSA-N 2 0 327.432 1.159 20 0 EDADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347179183 143291544 /nfs/dbraw/zinc/29/15/44/143291544.db2.gz SYFAUDWLZZESHZ-KRWDZBQOSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000347219628 143296481 /nfs/dbraw/zinc/29/64/81/143296481.db2.gz INLVLCMDJRDVNY-PKOBYXMFSA-N 2 0 345.487 1.566 20 0 EDADRP CC(C)c1ncc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)s1 ZINC000347233610 143298082 /nfs/dbraw/zinc/29/80/82/143298082.db2.gz ZFHBNBIMSQTBHB-CQSZACIVSA-N 2 0 336.505 1.910 20 0 EDADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCOC1 ZINC000347281639 143303475 /nfs/dbraw/zinc/30/34/75/143303475.db2.gz YLCAKNOIUPENPJ-QYZOEREBSA-N 2 0 347.503 1.680 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347695670 143350824 /nfs/dbraw/zinc/35/08/24/143350824.db2.gz CJCRYZPAOGNMFD-FGTMMUONSA-N 2 0 339.524 1.829 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000347728466 143355245 /nfs/dbraw/zinc/35/52/45/143355245.db2.gz UOUVNWBCVFSLRA-UHFFFAOYSA-N 2 0 331.464 1.001 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[C@H](C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000347766556 143360414 /nfs/dbraw/zinc/36/04/14/143360414.db2.gz CAIYNQNBPVEBIA-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000347917123 143378954 /nfs/dbraw/zinc/37/89/54/143378954.db2.gz HJFKVTHEMGJBLJ-IAGOWNOFSA-N 2 0 328.416 1.660 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351710195 143598007 /nfs/dbraw/zinc/59/80/07/143598007.db2.gz OETRTOBBBULPDF-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP COC[C@@]1(CNC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000572825421 306599808 /nfs/dbraw/zinc/59/98/08/306599808.db2.gz HBFRADUZJAFYGK-YOEHRIQHSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000572941198 306604340 /nfs/dbraw/zinc/60/43/40/306604340.db2.gz UVWWHQWPEJZQKM-CJNGLKHVSA-N 2 0 330.432 1.342 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416823427 304350106 /nfs/dbraw/zinc/35/01/06/304350106.db2.gz YHESZALYQFXBPR-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)[NH+]1CCCC1 ZINC000416841858 304350415 /nfs/dbraw/zinc/35/04/15/304350415.db2.gz MPRWMIZMPHYFAK-VMBOVVBDSA-N 2 0 346.475 1.963 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000416841247 304350426 /nfs/dbraw/zinc/35/04/26/304350426.db2.gz LVNKRSUQTSZZQO-KSZLIROESA-N 2 0 330.476 1.410 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000417670620 286060704 /nfs/dbraw/zinc/06/07/04/286060704.db2.gz OMXLUVSPYBBFMB-XHSDSOJGSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416855620 304352139 /nfs/dbraw/zinc/35/21/39/304352139.db2.gz WCTXLEQUWZDNOF-GDBMZVCRSA-N 2 0 334.464 1.739 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000352824558 149182662 /nfs/dbraw/zinc/18/26/62/149182662.db2.gz GUACGBOYYZRGGF-DWIQEWEKSA-N 2 0 343.515 1.942 20 0 EDADRP CSC[C@H](O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352887238 149204035 /nfs/dbraw/zinc/20/40/35/149204035.db2.gz RWGIPLCIAOZUEU-RBUKOAKNSA-N 2 0 349.544 1.602 20 0 EDADRP CC[C@H]([NH2+]CCCN1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353336682 149370861 /nfs/dbraw/zinc/37/08/61/149370861.db2.gz NJRHHERNNVENNM-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000416969942 304357352 /nfs/dbraw/zinc/35/73/52/304357352.db2.gz MEMOYTGWDVIDLN-RDJZCZTQSA-N 2 0 348.491 1.814 20 0 EDADRP Cc1c(C(=O)N2CCCC[C@H]2[C@H]2CC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000573609632 306626647 /nfs/dbraw/zinc/62/66/47/306626647.db2.gz IJFZREWAXSATCG-HOCLYGCPSA-N 2 0 346.479 1.115 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354902539 150021161 /nfs/dbraw/zinc/02/11/61/150021161.db2.gz OQYVDQMNQHCEFS-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416980393 304360444 /nfs/dbraw/zinc/36/04/44/304360444.db2.gz TZYNAQIIFAOEAI-KRWDZBQOSA-N 2 0 333.480 1.719 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000417031061 304362881 /nfs/dbraw/zinc/36/28/81/304362881.db2.gz QGMFPTSBKHLRIT-DLBZAZTESA-N 2 0 332.448 1.193 20 0 EDADRP Cc1ncncc1[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000573697497 306630664 /nfs/dbraw/zinc/63/06/64/306630664.db2.gz SPENQFSZIMALFY-HNNXBMFYSA-N 2 0 333.480 1.232 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000357162502 150943471 /nfs/dbraw/zinc/94/34/71/150943471.db2.gz IDXBUIZUVREYCV-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000357368201 151008705 /nfs/dbraw/zinc/00/87/05/151008705.db2.gz DWOUYZYDCGZJGE-HKUYNNGSSA-N 2 0 349.519 1.964 20 0 EDADRP COCC1(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC[NH2+]CC1 ZINC000333749219 292237324 /nfs/dbraw/zinc/23/73/24/292237324.db2.gz YTHMIVJTUWVSRM-UHFFFAOYSA-N 2 0 338.496 1.178 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357670673 151109631 /nfs/dbraw/zinc/10/96/31/151109631.db2.gz WMTHYSYQAXYLAL-ULQDDVLXSA-N 2 0 342.528 1.905 20 0 EDADRP CC[NH+](CC)CC(=O)NCCN1CCc2cc(OC)c(OC)cc2C1 ZINC000357860018 151174844 /nfs/dbraw/zinc/17/48/44/151174844.db2.gz APWCDTAKNDCQDB-UHFFFAOYSA-N 2 0 349.475 1.520 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000358050265 151247783 /nfs/dbraw/zinc/24/77/83/151247783.db2.gz PYCGRBJDVMPCET-MJGOQNOKSA-N 2 0 331.460 1.081 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCCC[C@@H]2C)C1 ZINC000358409823 151365949 /nfs/dbraw/zinc/36/59/49/151365949.db2.gz ITQFKXYNOZQUDU-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000360692000 152155685 /nfs/dbraw/zinc/15/56/85/152155685.db2.gz INGFINNOYLLMGK-UHFFFAOYSA-N 2 0 330.542 1.797 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000360893887 152243722 /nfs/dbraw/zinc/24/37/22/152243722.db2.gz PIURCPBYQKRKKO-JKSUJKDBSA-N 2 0 342.528 1.593 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1cncc(F)c1 ZINC000361121620 152311764 /nfs/dbraw/zinc/31/17/64/152311764.db2.gz VYHYGZLYCDOFBT-AWEZNQCLSA-N 2 0 346.406 1.809 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264646 152348241 /nfs/dbraw/zinc/34/82/41/152348241.db2.gz JJSYXJRMIPNLFA-KBPBESRZSA-N 2 0 342.447 1.549 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000361393007 152380927 /nfs/dbraw/zinc/38/09/27/152380927.db2.gz QJVJHHVFVOALSD-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417152820 304378538 /nfs/dbraw/zinc/37/85/38/304378538.db2.gz IRPQRRQAVFUSKM-QGZVFWFLSA-N 2 0 333.480 1.719 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000361435132 152395049 /nfs/dbraw/zinc/39/50/49/152395049.db2.gz JHOODTWPMBPEBF-DAYGRLMNSA-N 2 0 342.480 1.122 20 0 EDADRP CCn1ccnc1CN(C(=O)C[N@H+](C)C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000370165294 155358725 /nfs/dbraw/zinc/35/87/25/155358725.db2.gz VCDCRMIXVSAPCG-INIZCTEOSA-N 2 0 347.507 1.714 20 0 EDADRP COc1cccc([C@H](C)N2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)c1 ZINC000363750787 153046533 /nfs/dbraw/zinc/04/65/33/153046533.db2.gz WILFHYAADZFLEF-ZAAXVRCTSA-N 2 0 343.471 1.900 20 0 EDADRP CN1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccc(F)cc1 ZINC000364099819 153145090 /nfs/dbraw/zinc/14/50/90/153145090.db2.gz ITOUCZFPMBBXNW-DOTOQJQBSA-N 2 0 343.406 1.370 20 0 EDADRP Cc1nc2n(c1CN1CC[NH+](CCC3OCCO3)CC1)CCCC2 ZINC000364134036 153152998 /nfs/dbraw/zinc/15/29/98/153152998.db2.gz DFIDYWZGYJPEAH-UHFFFAOYSA-N 2 0 334.464 1.408 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cn(C(C)(C)C)nn3)C2)CC1 ZINC000364473730 153247390 /nfs/dbraw/zinc/24/73/90/153247390.db2.gz UTEJAOBFYWAOGS-QGZVFWFLSA-N 2 0 334.512 1.633 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418320484 286362816 /nfs/dbraw/zinc/36/28/16/286362816.db2.gz QJQJXNZOHPUAPG-WBAXXEDZSA-N 2 0 346.475 1.440 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@H]3C[NH+](C)CC[C@H]31)C2 ZINC000364945383 153379677 /nfs/dbraw/zinc/37/96/77/153379677.db2.gz RLKIUSPAJFCADL-GUMUBFQMSA-N 2 0 334.508 1.985 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[NH+](C)CC[C@H]31)C2 ZINC000364945384 153379910 /nfs/dbraw/zinc/37/99/10/153379910.db2.gz RLKIUSPAJFCADL-JRACIQGZSA-N 2 0 334.508 1.985 20 0 EDADRP CN(C(=O)/C=C/C[NH+](C)C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000365401882 153507660 /nfs/dbraw/zinc/50/76/60/153507660.db2.gz XVMSBNIHKSGFSR-SNAWJCMRSA-N 2 0 330.476 1.665 20 0 EDADRP CCCCOC[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000366122115 153724354 /nfs/dbraw/zinc/72/43/54/153724354.db2.gz PQEKIYUDKBUTJU-KRWDZBQOSA-N 2 0 328.497 1.598 20 0 EDADRP O=C(NC[C@@H]1CN2CCCC[C@H]2CO1)c1ccc(-n2ccnc2)nc1 ZINC000367110522 154011792 /nfs/dbraw/zinc/01/17/92/154011792.db2.gz NPSDCDLNFALYGH-JKSUJKDBSA-N 2 0 341.415 1.250 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]C[C@H]2O)[NH+]2CCCC2)cc1 ZINC000417351325 304393981 /nfs/dbraw/zinc/39/39/81/304393981.db2.gz CEZZPNNXUNEEDG-FGTMMUONSA-N 2 0 346.475 1.011 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000369559724 155087580 /nfs/dbraw/zinc/08/75/80/155087580.db2.gz HXBFYQTVZOYWRL-IRXDYDNUSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000369566454 155089093 /nfs/dbraw/zinc/08/90/93/155089093.db2.gz CPOPOVQXTOTLDU-OWCLPIDISA-N 2 0 333.480 1.865 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000417478769 304398976 /nfs/dbraw/zinc/39/89/76/304398976.db2.gz JDMOAHOHOAVKNT-SJLPKXTDSA-N 2 0 348.491 1.944 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000183084749 292335186 /nfs/dbraw/zinc/33/51/86/292335186.db2.gz BCORLUTYPXCFFC-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CC(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000372065808 156231317 /nfs/dbraw/zinc/23/13/17/156231317.db2.gz IIGDKUDKIRORSB-KFKAGJAMSA-N 2 0 337.508 1.724 20 0 EDADRP CC[N@H+](CC(=O)NCCN1CC[NH+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000372150589 156242817 /nfs/dbraw/zinc/24/28/17/156242817.db2.gz VSNFMIWDDBARAA-LJQANCHMSA-N 2 0 344.503 1.576 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000374058756 157125132 /nfs/dbraw/zinc/12/51/32/157125132.db2.gz WLXQPJJSAGSIQA-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP CCC[C@@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)[NH+](C)C ZINC000374258351 157218377 /nfs/dbraw/zinc/21/83/77/157218377.db2.gz VGGADLSYKOMJTA-KRWDZBQOSA-N 2 0 335.496 1.536 20 0 EDADRP CCC[NH+]1CCN(C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000377933427 158032379 /nfs/dbraw/zinc/03/23/79/158032379.db2.gz RFCAGABQJGJCBD-UHFFFAOYSA-N 2 0 348.535 1.633 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]C1 ZINC000378203755 158107746 /nfs/dbraw/zinc/10/77/46/158107746.db2.gz RIOPEEIMFVDHJE-FUHWJXTLSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417906691 304429814 /nfs/dbraw/zinc/42/98/14/304429814.db2.gz FTYNHQWIXDEZBY-HYVNUMGLSA-N 2 0 340.512 1.571 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417961502 304438897 /nfs/dbraw/zinc/43/88/97/304438897.db2.gz BJYUGZCNEDDULE-ZBFHGGJFSA-N 2 0 331.464 1.677 20 0 EDADRP CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352187862 162037896 /nfs/dbraw/zinc/03/78/96/162037896.db2.gz VHOGQTXIDUQAJA-BQFCYCMXSA-N 2 0 333.476 1.468 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000352341366 162128972 /nfs/dbraw/zinc/12/89/72/162128972.db2.gz GTECTNZXGRUTMT-UHFFFAOYSA-N 2 0 341.521 1.722 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1 ZINC000418058960 304452647 /nfs/dbraw/zinc/45/26/47/304452647.db2.gz RUMZGWAMKWNKSC-HDICACEKSA-N 2 0 330.476 1.827 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+](C)C)cc1 ZINC000418210146 304464607 /nfs/dbraw/zinc/46/46/07/304464607.db2.gz SIFHTIBVRMHKKU-RHSMWYFYSA-N 2 0 336.480 1.971 20 0 EDADRP COCCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000159330805 225197515 /nfs/dbraw/zinc/19/75/15/225197515.db2.gz COJQNHGLJJHLNU-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000418332942 304481970 /nfs/dbraw/zinc/48/19/70/304481970.db2.gz DRRQEXBEUOTYJJ-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP COC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000165897900 226139605 /nfs/dbraw/zinc/13/96/05/226139605.db2.gz QAXJDJOSMVNJEB-GOSISDBHSA-N 2 0 345.487 1.926 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2[nH]ccc2c1 ZINC000130543723 287494672 /nfs/dbraw/zinc/49/46/72/287494672.db2.gz PCZOYNKSYAHCFO-UHFFFAOYSA-N 2 0 345.447 1.058 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418450291 304496712 /nfs/dbraw/zinc/49/67/12/304496712.db2.gz TUNLSGVEQATKQA-UHFFFAOYSA-N 2 0 340.512 1.838 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[NH+]2CCCCC2)ccn1 ZINC000134508348 287556209 /nfs/dbraw/zinc/55/62/09/287556209.db2.gz UYHVPRGBXRUUCF-UHFFFAOYSA-N 2 0 349.479 1.307 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237609396 273011146 /nfs/dbraw/zinc/01/11/46/273011146.db2.gz QNCDJVQJORHJEG-IRXDYDNUSA-N 2 0 336.524 1.523 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000237719646 273012326 /nfs/dbraw/zinc/01/23/26/273012326.db2.gz QVLWXZHNGHIMOX-QGZVFWFLSA-N 2 0 330.476 1.375 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000274464439 268142881 /nfs/dbraw/zinc/14/28/81/268142881.db2.gz VULIGUCJXCXJCJ-AWEZNQCLSA-N 2 0 345.443 1.108 20 0 EDADRP CCOC(=O)c1nn(C)cc1C[NH2+]C[C@@H](CC[NH+](C)C)OCC ZINC000274489477 268149869 /nfs/dbraw/zinc/14/98/69/268149869.db2.gz OLTRLAAKEWNPBJ-CQSZACIVSA-N 2 0 326.441 1.043 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000274672067 268180407 /nfs/dbraw/zinc/18/04/07/268180407.db2.gz IFHIDGKYMJYQBY-JFIYKMOQSA-N 2 0 333.476 1.762 20 0 EDADRP CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274817310 268213310 /nfs/dbraw/zinc/21/33/10/268213310.db2.gz JASQXGGCSIFCGY-KVSKMBFKSA-N 2 0 334.460 1.801 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000274919045 268238507 /nfs/dbraw/zinc/23/85/07/268238507.db2.gz JBIUNGRTCZVIEQ-CRAIPNDOSA-N 2 0 347.503 1.689 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1(C)C ZINC000275407758 268338406 /nfs/dbraw/zinc/33/84/06/268338406.db2.gz CPQOXDXGXNFHAR-SUMWQHHRSA-N 2 0 329.404 1.738 20 0 EDADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(OC)c1C ZINC000103210738 272918800 /nfs/dbraw/zinc/91/88/00/272918800.db2.gz HUODHXAESIAOKA-UHFFFAOYSA-N 2 0 337.464 1.578 20 0 EDADRP C[N@H+](CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278916850 273271327 /nfs/dbraw/zinc/27/13/27/273271327.db2.gz COWXROQFODJBDQ-INIZCTEOSA-N 2 0 341.459 1.739 20 0 EDADRP C[C@H](O)c1ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000283065954 273769131 /nfs/dbraw/zinc/76/91/31/273769131.db2.gz MZQRXLBWCYRTDV-ZDUSSCGKSA-N 2 0 342.509 1.542 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000284342680 274167612 /nfs/dbraw/zinc/16/76/12/274167612.db2.gz BHAAQYQZKDELRW-INIZCTEOSA-N 2 0 348.491 1.081 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@@H]32)CC1 ZINC000362483594 276150046 /nfs/dbraw/zinc/15/00/46/276150046.db2.gz IXOSETJQHYLDFS-JKSUJKDBSA-N 2 0 325.522 1.947 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188697628 276363237 /nfs/dbraw/zinc/36/32/37/276363237.db2.gz HHMBTYFEHGNDLY-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC000418581694 277070834 /nfs/dbraw/zinc/07/08/34/277070834.db2.gz MISSVZNKHVHLBH-LJQANCHMSA-N 2 0 328.460 1.917 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000371472504 277107136 /nfs/dbraw/zinc/10/71/36/277107136.db2.gz DZBXUGKBCODHTA-DBVUQKKJSA-N 2 0 329.488 1.604 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000261860256 277109403 /nfs/dbraw/zinc/10/94/03/277109403.db2.gz RGYCJDBXMSWMIN-SJLPKXTDSA-N 2 0 330.476 1.748 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106524865 277385193 /nfs/dbraw/zinc/38/51/93/277385193.db2.gz NGICSZJXBXQZPU-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000333492971 277390749 /nfs/dbraw/zinc/39/07/49/277390749.db2.gz CODBXVFXLLHJHU-JKSUJKDBSA-N 2 0 326.485 1.114 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000237203462 277494720 /nfs/dbraw/zinc/49/47/20/277494720.db2.gz ONXJYNNHEHZXIY-GOSISDBHSA-N 2 0 331.460 1.318 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860204 278192004 /nfs/dbraw/zinc/19/20/04/278192004.db2.gz MAUOMMOJEUJRFQ-KPFFTGBYSA-N 3 0 344.503 1.468 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1N(C)C ZINC000354165691 278257394 /nfs/dbraw/zinc/25/73/94/278257394.db2.gz XKNBZVKWCWHZNO-SFHVURJKSA-N 2 0 348.535 1.793 20 0 EDADRP C[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269250882 278358056 /nfs/dbraw/zinc/35/80/56/278358056.db2.gz GWOUXMAZOKZAEI-PKOBYXMFSA-N 2 0 345.487 1.878 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247526785 279029882 /nfs/dbraw/zinc/02/98/82/279029882.db2.gz OPGSNXSPSIZBEM-HZPDHXFCSA-N 2 0 326.485 1.005 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000347072605 279268974 /nfs/dbraw/zinc/26/89/74/279268974.db2.gz YZZINJXCTSPPCV-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccnc1OC ZINC000263815304 279302969 /nfs/dbraw/zinc/30/29/69/279302969.db2.gz PBMIFBLBGLZKEO-OAHLLOKOSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248168115 279312894 /nfs/dbraw/zinc/31/28/94/279312894.db2.gz UEWRFUCBWNQLEN-QWFCFKBJSA-N 2 0 345.535 1.518 20 0 EDADRP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000354352854 279525019 /nfs/dbraw/zinc/52/50/19/279525019.db2.gz RQUXRNRHXOBGPL-LRYGQEGESA-N 2 0 339.524 1.972 20 0 EDADRP OC(C[NH+]1CC[C@@]2(C1)CCCOC2)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274356 280398395 /nfs/dbraw/zinc/39/83/95/280398395.db2.gz ACEZKNNEWMZDSS-RTBURBONSA-N 2 0 338.492 1.352 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000288214773 288433100 /nfs/dbraw/zinc/43/31/00/288433100.db2.gz QMIRJBRTWFBVOX-AWEZNQCLSA-N 2 0 334.464 1.533 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)CC1 ZINC000289732630 288768877 /nfs/dbraw/zinc/76/88/77/288768877.db2.gz LTMDTBPARIBSND-RBUKOAKNSA-N 2 0 342.487 1.116 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCSC1 ZINC000333393012 289400382 /nfs/dbraw/zinc/40/03/82/289400382.db2.gz PAGXMVXMOKBKAM-CTASWTNQSA-N 2 0 326.510 1.111 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000418772900 289895574 /nfs/dbraw/zinc/89/55/74/289895574.db2.gz UZOQTJGLAUERJZ-KBPBESRZSA-N 2 0 330.423 1.357 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000349815210 290041420 /nfs/dbraw/zinc/04/14/20/290041420.db2.gz ZPXCDUOVNXXGER-HSZRJFAPSA-N 2 0 337.533 1.930 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000251547277 290097578 /nfs/dbraw/zinc/09/75/78/290097578.db2.gz GZPJYAYSPAVXMV-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000333407564 290274878 /nfs/dbraw/zinc/27/48/78/290274878.db2.gz QWEFSMRVZVDZRR-BZUAXINKSA-N 2 0 345.491 1.999 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131253 290391010 /nfs/dbraw/zinc/39/10/10/290391010.db2.gz NZLUSGCYUMZJKX-ZWKOTPCHSA-N 3 0 336.524 1.395 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000422010974 447306098 /nfs/dbraw/zinc/30/60/98/447306098.db2.gz CKWAOASHXBYZSQ-WMZOPIPTSA-N 2 0 336.524 1.203 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333900195 295335198 /nfs/dbraw/zinc/33/51/98/295335198.db2.gz ZQZKVDAIBVCBQH-JKSUJKDBSA-N 2 0 338.496 1.576 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000418538319 304509782 /nfs/dbraw/zinc/50/97/82/304509782.db2.gz DPYHCVCNAJUUQE-RNJTYBCJSA-N 2 0 346.475 1.580 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418604546 304517662 /nfs/dbraw/zinc/51/76/62/304517662.db2.gz RCZFHNIMVBMXBS-UKPHBRMFSA-N 2 0 336.455 1.816 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418609087 304518440 /nfs/dbraw/zinc/51/84/40/304518440.db2.gz SGCBYIOKWDTQBA-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418843761 304540206 /nfs/dbraw/zinc/54/02/06/304540206.db2.gz SLTKNQDYZZGJQH-GJZGRUSLSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000419128306 304567585 /nfs/dbraw/zinc/56/75/85/304567585.db2.gz AAJKXAGPZKZDQJ-SOUVJXGZSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CCCO[C@H]3C)CC2)CC1 ZINC000422026515 447314568 /nfs/dbraw/zinc/31/45/68/447314568.db2.gz UWRJITITXYSABJ-WMZOPIPTSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000458355994 447320700 /nfs/dbraw/zinc/32/07/00/447320700.db2.gz CWFUMDFUGNKKAH-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP c1cc(N2CCC([NH2+]C[C@H]3COC4(CCOCC4)O3)CC2)cc[nH+]1 ZINC000294285550 303087046 /nfs/dbraw/zinc/08/70/46/303087046.db2.gz TVLKMOFKFNUUEM-KRWDZBQOSA-N 2 0 333.432 1.562 20 0 EDADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000295045070 303166741 /nfs/dbraw/zinc/16/67/41/303166741.db2.gz FDWDCKPZBSFFNX-WBVHZDCISA-N 2 0 349.475 1.849 20 0 EDADRP C[C@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)O ZINC000295136631 303177535 /nfs/dbraw/zinc/17/75/35/303177535.db2.gz KKHKUWBKUKHYEH-INIZCTEOSA-N 2 0 347.503 1.990 20 0 EDADRP C[NH+](Cc1ccccc1C[N@@H+](C)C(C)(C)C(N)=O)C(C)(C)C(N)=O ZINC000295698139 303254192 /nfs/dbraw/zinc/25/41/92/303254192.db2.gz MEJQRBAYIPVPCM-UHFFFAOYSA-N 2 0 334.464 1.078 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000297137105 303364256 /nfs/dbraw/zinc/36/42/56/303364256.db2.gz ZTQFHDUOWRXRID-UHFFFAOYSA-N 2 0 345.487 1.859 20 0 EDADRP Cc1ccc2nc(CNC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)cn2c1 ZINC000297316239 303384987 /nfs/dbraw/zinc/38/49/87/303384987.db2.gz IPWHCPAXGUNQQX-OAHLLOKOSA-N 2 0 345.447 1.289 20 0 EDADRP C[NH2+]CCC[NH2+][C@H](C)CC(=O)Nc1ccc(NC(=O)C2CC2)cc1 ZINC000414857930 447330104 /nfs/dbraw/zinc/33/01/04/447330104.db2.gz GRJXEXYFUFUJNK-CYBMUJFWSA-N 2 0 332.448 1.951 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000372876374 447331858 /nfs/dbraw/zinc/33/18/58/447331858.db2.gz HZOKISRICOGZGS-AWEZNQCLSA-N 2 0 331.464 1.394 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000327179133 303770549 /nfs/dbraw/zinc/77/05/49/303770549.db2.gz NGBHLFPYUAGUDM-QGZVFWFLSA-N 2 0 348.491 1.098 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000074532928 303802361 /nfs/dbraw/zinc/80/23/61/303802361.db2.gz GUQPFINQUZJYRB-QGZVFWFLSA-N 2 0 339.443 1.622 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664919450 453483953 /nfs/dbraw/zinc/48/39/53/453483953.db2.gz GGCSORQFPVMBPR-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)ccc1OCC(=O)N(C)C ZINC000422937668 304880669 /nfs/dbraw/zinc/88/06/69/304880669.db2.gz JSFAJONGRSVEGS-ZBFHGGJFSA-N 2 0 349.475 1.640 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099630 304886100 /nfs/dbraw/zinc/88/61/00/304886100.db2.gz MAYUMOPQWXAWJM-OLZOCXBDSA-N 2 0 331.869 1.478 20 0 EDADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423227300 304889930 /nfs/dbraw/zinc/88/99/30/304889930.db2.gz VFERKRIXOVVIAU-ZIAGYGMSSA-N 2 0 341.477 1.095 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423333968 304892984 /nfs/dbraw/zinc/89/29/84/304892984.db2.gz RZQZHHHBDLNWSU-HUUCEWRRSA-N 2 0 335.496 1.593 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000423375827 304893871 /nfs/dbraw/zinc/89/38/71/304893871.db2.gz IXKCPAJOHCTQMD-OCCSQVGLSA-N 2 0 346.431 1.483 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424008404 304924631 /nfs/dbraw/zinc/92/46/31/304924631.db2.gz HYLUJNWSGHSRLU-DEORAPPZSA-N 2 0 331.435 2.000 20 0 EDADRP C[C@H](C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)[NH+]1CCCCCC1 ZINC000424007928 304924641 /nfs/dbraw/zinc/92/46/41/304924641.db2.gz GYWRECQRQQKSGW-BPQIPLTHSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)n1cccn1 ZINC000424041031 304926045 /nfs/dbraw/zinc/92/60/45/304926045.db2.gz SHXXGHIZGXZIKA-MRXNPFEDSA-N 2 0 341.459 1.554 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429541884 305031640 /nfs/dbraw/zinc/03/16/40/305031640.db2.gz PPOZUTRLJGEUDS-ROUUACIJSA-N 2 0 336.476 1.989 20 0 EDADRP CCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000430104525 305045644 /nfs/dbraw/zinc/04/56/44/305045644.db2.gz UYNRUWNREFJTQI-SFHVURJKSA-N 2 0 333.476 1.736 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581877 305056914 /nfs/dbraw/zinc/05/69/14/305056914.db2.gz IJSSMTRUHQVWMT-HOCLYGCPSA-N 2 0 332.448 1.462 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)N1CC[NH2+]CC1 ZINC000430629735 305060261 /nfs/dbraw/zinc/06/02/61/305060261.db2.gz WWTIQCJVPQYKSG-CQSZACIVSA-N 2 0 344.484 1.940 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652886 305061444 /nfs/dbraw/zinc/06/14/44/305061444.db2.gz XXHDAEHXWBWVHF-KZNAEPCWSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH2+][C@@H]1CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430658994 305061565 /nfs/dbraw/zinc/06/15/65/305061565.db2.gz YKNQAUXLLWUARM-GOSISDBHSA-N 2 0 330.476 1.192 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430703733 305062940 /nfs/dbraw/zinc/06/29/40/305062940.db2.gz GEJNANYMGNKPKB-UHFFFAOYSA-N 2 0 331.460 1.777 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430706813 305063045 /nfs/dbraw/zinc/06/30/45/305063045.db2.gz OAVPVZLRTCAGEI-QGZVFWFLSA-N 2 0 331.460 1.920 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000430756666 305064204 /nfs/dbraw/zinc/06/42/04/305064204.db2.gz SRPIKXIWCMHHHI-ROUUACIJSA-N 2 0 337.508 1.855 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000430771833 305064454 /nfs/dbraw/zinc/06/44/54/305064454.db2.gz GSPHNCKUVHZONT-OAHLLOKOSA-N 2 0 348.495 1.315 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000430774682 305064708 /nfs/dbraw/zinc/06/47/08/305064708.db2.gz DISWLZUDWBQIQJ-BPQIPLTHSA-N 2 0 337.508 1.901 20 0 EDADRP COCC[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000430848027 305065835 /nfs/dbraw/zinc/06/58/35/305065835.db2.gz OHEMMNKUVQWUOA-HXUWFJFHSA-N 2 0 345.487 1.783 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430876710 305066802 /nfs/dbraw/zinc/06/68/02/305066802.db2.gz GSBCQUYKXIRJLT-NUEKZKHPSA-N 2 0 344.459 1.450 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC[C@H]1[NH3+] ZINC000430921253 305068136 /nfs/dbraw/zinc/06/81/36/305068136.db2.gz SDPXSPATECNVFU-QMTHXVAHSA-N 2 0 338.839 1.437 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000430966929 305071723 /nfs/dbraw/zinc/07/17/23/305071723.db2.gz QDUQEOIFKGAYRF-UHFFFAOYSA-N 2 0 346.500 1.886 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431030350 305073009 /nfs/dbraw/zinc/07/30/09/305073009.db2.gz MARLJIZZNLJSCP-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431034321 305073375 /nfs/dbraw/zinc/07/33/75/305073375.db2.gz VZHFRCCOBJBUKQ-HNNXBMFYSA-N 2 0 333.451 1.948 20 0 EDADRP CCOCC[N@@H+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C[C@H]1CC ZINC000431094939 305074995 /nfs/dbraw/zinc/07/49/95/305074995.db2.gz CYDMHXZIUHOOKO-CYBMUJFWSA-N 2 0 325.457 1.196 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000431851511 305083836 /nfs/dbraw/zinc/08/38/36/305083836.db2.gz PHJHSLXZESOTFO-XYJFISCASA-N 2 0 333.476 1.593 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(-n3cccn3)cc2)CC1 ZINC000433113459 305100731 /nfs/dbraw/zinc/10/07/31/305100731.db2.gz CIQDKPRVADMDTM-UHFFFAOYSA-N 2 0 341.459 1.692 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3c(c2)OCC(=O)N3)CC1 ZINC000433127296 305101189 /nfs/dbraw/zinc/10/11/89/305101189.db2.gz HLBUJZVLIYBLJT-UHFFFAOYSA-N 2 0 332.404 1.159 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(N3CCCC3)cn2)CC1 ZINC000433161274 305102163 /nfs/dbraw/zinc/10/21/63/305102163.db2.gz JQZJWSDXCZOQMQ-UHFFFAOYSA-N 2 0 331.464 1.824 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433286092 305104960 /nfs/dbraw/zinc/10/49/60/305104960.db2.gz NADIICFTQUDXNT-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388133 305107538 /nfs/dbraw/zinc/10/75/38/305107538.db2.gz LQFIWGNWVUTOEW-HOTGVXAUSA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C)CC[C@@H]2C)CCCO1 ZINC000433459702 305109972 /nfs/dbraw/zinc/10/99/72/305109972.db2.gz YRBQMDVRVDKHRQ-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000434715616 305129228 /nfs/dbraw/zinc/12/92/28/305129228.db2.gz AFWRWRTXZBBFJD-WFASDCNBSA-N 2 0 348.447 1.077 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000437685790 305178076 /nfs/dbraw/zinc/17/80/76/305178076.db2.gz FCJJAQJZQYFUKK-INIZCTEOSA-N 2 0 339.524 1.829 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438892336 305190667 /nfs/dbraw/zinc/19/06/67/305190667.db2.gz WULDFHXJOZSUBX-RDJZCZTQSA-N 2 0 346.475 1.511 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](O)C1 ZINC000439472699 305198240 /nfs/dbraw/zinc/19/82/40/305198240.db2.gz TZRLZDVCMKLHGB-GVDBMIGSSA-N 2 0 325.497 1.412 20 0 EDADRP O[C@H](C[NH+]1CCC[C@@H]2COCC[C@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000447316475 305278097 /nfs/dbraw/zinc/27/80/97/305278097.db2.gz YSXBVZSNVNAZOA-NNIGNNQHSA-N 2 0 338.492 1.349 20 0 EDADRP CCC[C@]1(COC)CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000447390802 305279800 /nfs/dbraw/zinc/27/98/00/305279800.db2.gz HLZFGMQVKCXFMP-GOSISDBHSA-N 2 0 325.497 1.868 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000449162497 305308450 /nfs/dbraw/zinc/30/84/50/305308450.db2.gz JGXWMZVJWFWNLR-HRSCSKTISA-N 2 0 335.492 1.748 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449332391 305311759 /nfs/dbraw/zinc/31/17/59/305311759.db2.gz DBVABKLDCMPUFL-IBGZPJMESA-N 2 0 331.460 1.145 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000449712244 305317742 /nfs/dbraw/zinc/31/77/42/305317742.db2.gz QUEYHNUKOUUBEH-QGZVFWFLSA-N 2 0 326.400 1.355 20 0 EDADRP CC(C)O[C@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000451509903 305350273 /nfs/dbraw/zinc/35/02/73/305350273.db2.gz XFVOJVVVVICSLD-IRXDYDNUSA-N 2 0 337.508 1.911 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458410227 447351074 /nfs/dbraw/zinc/35/10/74/447351074.db2.gz FLFHUSHFNHVDGJ-IAGOWNOFSA-N 2 0 340.512 1.397 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000516748711 305740658 /nfs/dbraw/zinc/74/06/58/305740658.db2.gz BELGSASTERJSAZ-NVXWUHKLSA-N 2 0 332.448 1.575 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377811569 447367400 /nfs/dbraw/zinc/36/74/00/447367400.db2.gz MYAHDZIMOFSACL-JKSUJKDBSA-N 2 0 344.459 1.421 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NCCNc2cc[nH+]cc2)[C@H]1c1ccccc1 ZINC000535434166 306013615 /nfs/dbraw/zinc/01/36/15/306013615.db2.gz CJSRTISICZRKQH-QZTJIDSGSA-N 2 0 339.443 1.660 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000542746035 306057303 /nfs/dbraw/zinc/05/73/03/306057303.db2.gz ONRQFWAHSFSZFE-UHFFFAOYSA-N 2 0 332.492 1.679 20 0 EDADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000552207079 306177580 /nfs/dbraw/zinc/17/75/80/306177580.db2.gz DMLWUPFBIZTUNP-AZUAARDMSA-N 2 0 343.471 1.224 20 0 EDADRP C[C@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[NH+]1CC(C)C1 ZINC000553084427 306182491 /nfs/dbraw/zinc/18/24/91/306182491.db2.gz JSTHTZDOFICAOQ-BRWVUGGUSA-N 2 0 337.508 1.674 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2c(=O)o1 ZINC000554515944 306194209 /nfs/dbraw/zinc/19/42/09/306194209.db2.gz YEGDWTUVFQUWIO-UHFFFAOYSA-N 2 0 331.416 1.358 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000555415830 306202261 /nfs/dbraw/zinc/20/22/61/306202261.db2.gz PXLZHFPJDKWYRT-INIZCTEOSA-N 2 0 328.526 1.455 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000557137972 306224947 /nfs/dbraw/zinc/22/49/47/306224947.db2.gz QLSSOPXIPJTUKM-XMTFNYHQSA-N 2 0 330.476 1.977 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000414967603 447376897 /nfs/dbraw/zinc/37/68/97/447376897.db2.gz QFENJIXXDLHGKX-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000449708228 447388446 /nfs/dbraw/zinc/38/84/46/447388446.db2.gz GAYIICRLPIWZPM-CYBMUJFWSA-N 2 0 331.416 1.603 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000415420213 447418289 /nfs/dbraw/zinc/41/82/89/447418289.db2.gz WDPSKPIDPJRZMC-OAHLLOKOSA-N 2 0 344.459 1.084 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000493960437 447420575 /nfs/dbraw/zinc/42/05/75/447420575.db2.gz LWVLHPUCODTOJW-KCQAQPDRSA-N 2 0 332.448 1.306 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458588807 447423803 /nfs/dbraw/zinc/42/38/03/447423803.db2.gz YKQWASVVOOPGJZ-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808528 447426398 /nfs/dbraw/zinc/42/63/98/447426398.db2.gz UVQODJIZLJDUCX-GASCZTMLSA-N 2 0 338.496 1.143 20 0 EDADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000057872348 441139765 /nfs/dbraw/zinc/13/97/65/441139765.db2.gz AYHIVZWGESSETI-UHFFFAOYSA-N 2 0 345.553 1.856 20 0 EDADRP CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000104102738 441190329 /nfs/dbraw/zinc/19/03/29/441190329.db2.gz VUKTZWHDBUSSDY-UHFFFAOYSA-N 2 0 327.494 1.363 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)Cc2cccc(C)c2)CC1 ZINC000073377584 441314344 /nfs/dbraw/zinc/31/43/44/441314344.db2.gz BEDFLIHGFBZFCE-UHFFFAOYSA-N 2 0 346.519 1.523 20 0 EDADRP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000063755974 441349867 /nfs/dbraw/zinc/34/98/67/441349867.db2.gz RBDZCBNGNYFPDS-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP C[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000106539578 441352947 /nfs/dbraw/zinc/35/29/47/441352947.db2.gz OBXKVSKZUOQOOF-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000025702260 441353044 /nfs/dbraw/zinc/35/30/44/441353044.db2.gz WQQFAFBLJMWIFE-OAHLLOKOSA-N 2 0 346.475 1.996 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(=O)OC)c3)C2)CC1 ZINC000107369747 441412957 /nfs/dbraw/zinc/41/29/57/441412957.db2.gz VRXBSIOCUXYBPZ-GOSISDBHSA-N 2 0 331.460 1.685 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCOCCOc3ccccc3)C2)CC1 ZINC000107369834 441413469 /nfs/dbraw/zinc/41/34/69/441413469.db2.gz WWMISPVNCDBJNS-IBGZPJMESA-N 2 0 347.503 1.794 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108549447 441463700 /nfs/dbraw/zinc/46/37/00/441463700.db2.gz FMVBNFILZOUNLP-INIZCTEOSA-N 2 0 345.491 1.687 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000137486338 441770156 /nfs/dbraw/zinc/77/01/56/441770156.db2.gz YPQQDQJABLMQOG-UHFFFAOYSA-N 2 0 344.503 1.937 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000121759294 441774030 /nfs/dbraw/zinc/77/40/30/441774030.db2.gz UAZDZNWICVTEMM-IBGZPJMESA-N 2 0 346.475 1.393 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000138118324 441783883 /nfs/dbraw/zinc/78/38/83/441783883.db2.gz HPJQZSBEKCIGIS-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077574833 441808201 /nfs/dbraw/zinc/80/82/01/441808201.db2.gz UMOFWNYECOXQTQ-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000174464885 441926938 /nfs/dbraw/zinc/92/69/38/441926938.db2.gz UQGDWGOLACKCIQ-UHFFFAOYSA-N 2 0 345.491 1.052 20 0 EDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CN1C1CC1 ZINC000119932701 441978792 /nfs/dbraw/zinc/97/87/92/441978792.db2.gz PYAKSYCOYYOGMU-YJBOKZPZSA-N 2 0 344.503 1.693 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000175264523 442028565 /nfs/dbraw/zinc/02/85/65/442028565.db2.gz ZPLXJPZBRIMVOU-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CC[C@@H](C(=O)NC1CCC(NC(=O)[C@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000161800317 442034268 /nfs/dbraw/zinc/03/42/68/442034268.db2.gz XKSOQCVXJPMFIR-CKUJCDMFSA-N 2 0 340.512 1.210 20 0 EDADRP COc1ccc(OC)c(CN2CC[NH+](CCn3ccnc3)CC2)c1 ZINC000162228977 442076022 /nfs/dbraw/zinc/07/60/22/442076022.db2.gz UKXFWGSTJDAZTR-UHFFFAOYSA-N 2 0 330.432 1.718 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC000126566786 442122410 /nfs/dbraw/zinc/12/24/10/442122410.db2.gz IFSLAPOHWMGMRA-XHSDSOJGSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151821186 442125232 /nfs/dbraw/zinc/12/52/32/442125232.db2.gz JCPUUUCZEWMJSJ-QGZVFWFLSA-N 3 0 349.519 1.982 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000164848361 442203878 /nfs/dbraw/zinc/20/38/78/442203878.db2.gz OUZYEPPCQWJVFW-BXWFABGCSA-N 2 0 345.487 1.769 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)C1 ZINC000176044790 442165629 /nfs/dbraw/zinc/16/56/29/442165629.db2.gz NQVDLQXOWOMAPX-BRWVUGGUSA-N 2 0 325.497 1.628 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000167231294 442219521 /nfs/dbraw/zinc/21/95/21/442219521.db2.gz JRNWJZFYZWNYCH-QGZVFWFLSA-N 2 0 349.475 1.259 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000153164879 442265458 /nfs/dbraw/zinc/26/54/58/442265458.db2.gz FINCNRAZXPWTEY-ROUUACIJSA-N 2 0 346.475 1.015 20 0 EDADRP COC(=O)CNC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000176916856 442272689 /nfs/dbraw/zinc/27/26/89/442272689.db2.gz ZHVBIFUDLOSSSQ-RDJZCZTQSA-N 2 0 347.459 1.261 20 0 EDADRP Cc1oncc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000128683896 442282386 /nfs/dbraw/zinc/28/23/86/442282386.db2.gz CKRSGQNFBNYUAA-UHFFFAOYSA-N 2 0 336.480 1.899 20 0 EDADRP CCOC(=O)[C@H]1CCCN(C(=O)CN(C)CCC[NH+]2CCCC2)C1 ZINC000153453295 442283257 /nfs/dbraw/zinc/28/32/57/442283257.db2.gz HVXCHSSCEOYIGZ-INIZCTEOSA-N 2 0 339.480 1.206 20 0 EDADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000170920183 442288839 /nfs/dbraw/zinc/28/88/39/442288839.db2.gz YTEGAPJSFNNTEU-SFHVURJKSA-N 2 0 330.476 1.015 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057037 442291119 /nfs/dbraw/zinc/29/11/19/442291119.db2.gz GVHUVYPCYQARSG-ZNMIVQPWSA-N 2 0 327.469 1.105 20 0 EDADRP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000153677231 442295530 /nfs/dbraw/zinc/29/55/30/442295530.db2.gz BSAFHCOQXWETLY-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000171196184 442326050 /nfs/dbraw/zinc/32/60/50/442326050.db2.gz FJKKTHFTWAQPJA-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](NC[C@@H](O)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000154285450 442330380 /nfs/dbraw/zinc/33/03/80/442330380.db2.gz LXAZSJXZBWUMGR-GOEBONIOSA-N 2 0 332.448 1.572 20 0 EDADRP COc1ccc(F)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000132863857 442401982 /nfs/dbraw/zinc/40/19/82/442401982.db2.gz GBCYPEFKJYTPJE-UHFFFAOYSA-N 2 0 326.416 1.791 20 0 EDADRP CCS(=O)(=O)NCCCN1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000132865059 442402048 /nfs/dbraw/zinc/40/20/48/442402048.db2.gz AJEXGPZLZLELDQ-IRXDYDNUSA-N 2 0 345.553 1.902 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCn3ccnc3C2)[NH+](C)C)c1 ZINC000155785252 442427383 /nfs/dbraw/zinc/42/73/83/442427383.db2.gz JWWAHAKNLREXPT-NVXWUHKLSA-N 2 0 342.443 1.873 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000134613817 442501332 /nfs/dbraw/zinc/50/13/32/442501332.db2.gz XBVVWQAZXHVOSB-FQEVSTJZSA-N 2 0 345.487 1.792 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178872973 442509895 /nfs/dbraw/zinc/50/98/95/442509895.db2.gz KGFLHRLIESWEBV-GOSISDBHSA-N 2 0 330.476 1.050 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000178949056 442535204 /nfs/dbraw/zinc/53/52/04/442535204.db2.gz JLOQDOCJCFBGCL-INIZCTEOSA-N 2 0 330.476 1.558 20 0 EDADRP CNC(=O)NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156984928 442538550 /nfs/dbraw/zinc/53/85/50/442538550.db2.gz HFOHWYKNJXCBOI-HOCLYGCPSA-N 2 0 332.448 1.427 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117235 442544137 /nfs/dbraw/zinc/54/41/37/442544137.db2.gz JTYVEXYZCOLMKT-UYAOXDASSA-N 2 0 344.503 1.576 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135059479 442551196 /nfs/dbraw/zinc/55/11/96/442551196.db2.gz KUIQXLLEQZGEJC-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000186599856 442570080 /nfs/dbraw/zinc/57/00/80/442570080.db2.gz VGIVDCBIMQAWDL-XLAORIBOSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@H+](CCCC(=O)NC(N)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179388986 442638898 /nfs/dbraw/zinc/63/88/98/442638898.db2.gz PZSQEPBJWWLHRQ-UHFFFAOYSA-N 2 0 347.463 1.595 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000157923130 442627603 /nfs/dbraw/zinc/62/76/03/442627603.db2.gz ZAETUIPBPYEYFO-CJNGLKHVSA-N 2 0 336.505 1.804 20 0 EDADRP CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000192745373 442682622 /nfs/dbraw/zinc/68/26/22/442682622.db2.gz ZEMVBVZMDGLWNC-AWEZNQCLSA-N 2 0 327.494 1.977 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)C1(C)C ZINC000188237428 442728133 /nfs/dbraw/zinc/72/81/33/442728133.db2.gz HCYBALWAFPHJJR-HDMKZQKVSA-N 2 0 325.497 1.852 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398857 442738836 /nfs/dbraw/zinc/73/88/36/442738836.db2.gz OQLVBBQTSORKGJ-FKAKGIQBSA-N 2 0 337.508 1.473 20 0 EDADRP C([NH+]1CC[C@]2(CCOC2)C1)C1(C[N@@H+]2CC[C@]3(CCOC3)C2)COC1 ZINC000182227738 442747857 /nfs/dbraw/zinc/74/78/57/442747857.db2.gz JVOXMVFMBUMKRA-ROUUACIJSA-N 2 0 336.476 1.228 20 0 EDADRP O[C@@H](COC[C@H]1CCCO1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080727 442711474 /nfs/dbraw/zinc/71/14/74/442711474.db2.gz YZIFIYBQROMTLG-QZTJIDSGSA-N 2 0 326.481 1.351 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181725334 442712874 /nfs/dbraw/zinc/71/28/74/442712874.db2.gz ZYZXEFWWBRKLCG-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000246581655 442794705 /nfs/dbraw/zinc/79/47/05/442794705.db2.gz VPRPYHQOXBRMCW-KFWWJZLASA-N 2 0 348.495 1.299 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000267904451 442783112 /nfs/dbraw/zinc/78/31/12/442783112.db2.gz ZSKYXSZAGRPGKK-SFHVURJKSA-N 2 0 349.450 1.879 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000247149793 442838252 /nfs/dbraw/zinc/83/82/52/442838252.db2.gz UEWNSESFGXNAAM-YYIAUSFCSA-N 2 0 340.512 1.658 20 0 EDADRP COC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](COC)C2)C1 ZINC000247225937 442842342 /nfs/dbraw/zinc/84/23/42/442842342.db2.gz YVMAHYOGESNXRY-QZTJIDSGSA-N 2 0 328.497 1.720 20 0 EDADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963763 442855996 /nfs/dbraw/zinc/85/59/96/442855996.db2.gz BKOIOBKMCWOZBP-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H]1CC(=O)CC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000164261962 318428789 /nfs/dbraw/zinc/42/87/89/318428789.db2.gz PZDCKBIHLATTTH-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@@H](C)C1 ZINC000247887221 442872324 /nfs/dbraw/zinc/87/23/24/442872324.db2.gz DJSHYYSMZUJUOY-ROUUACIJSA-N 2 0 327.513 1.435 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000189092922 442875587 /nfs/dbraw/zinc/87/55/87/442875587.db2.gz XTJOQYPWJCGHHN-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CCOC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247997066 442876836 /nfs/dbraw/zinc/87/68/36/442876836.db2.gz JXSHGONEYJMAEH-MAUKXSAKSA-N 2 0 333.476 1.899 20 0 EDADRP CC(C)OCCCC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000183210297 442904628 /nfs/dbraw/zinc/90/46/28/442904628.db2.gz MSDRYWWMKVZPMD-JWTNVVGKSA-N 2 0 337.508 1.961 20 0 EDADRP CC[C@@H]1CN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249065404 442948865 /nfs/dbraw/zinc/94/88/65/442948865.db2.gz UKCYKVZALYDPCJ-BHIYHBOVSA-N 2 0 345.487 1.876 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000619065498 450397962 /nfs/dbraw/zinc/39/79/62/450397962.db2.gz FOWNCJOIALHEAD-QGZVFWFLSA-N 2 0 342.487 1.409 20 0 EDADRP CN(c1ccccc1C[NH2+]CCn1cncn1)C1CC[NH+](C)CC1 ZINC000268315499 442944664 /nfs/dbraw/zinc/94/46/64/442944664.db2.gz DAVYFNWHUMYPSL-UHFFFAOYSA-N 2 0 328.464 1.598 20 0 EDADRP C[C@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000194939163 442970143 /nfs/dbraw/zinc/97/01/43/442970143.db2.gz JVFLIQRELSGXLB-WFASDCNBSA-N 2 0 329.366 1.904 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)nn1C ZINC000195118933 442984298 /nfs/dbraw/zinc/98/42/98/442984298.db2.gz COAORVXJSGNRRZ-HNNXBMFYSA-N 2 0 336.484 1.608 20 0 EDADRP Cc1ccc(OC[C@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(C)c1 ZINC000265981678 442992976 /nfs/dbraw/zinc/99/29/76/442992976.db2.gz BMIHMDPJAMKVAX-RTBURBONSA-N 2 0 348.487 1.697 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)cc1 ZINC000266183897 443049138 /nfs/dbraw/zinc/04/91/38/443049138.db2.gz VORMKBNSUHINCS-INIZCTEOSA-N 2 0 346.475 1.139 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000268814343 443117065 /nfs/dbraw/zinc/11/70/65/443117065.db2.gz JUCIXKVJXKZEGC-XJKCOSOUSA-N 2 0 325.478 1.876 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000261891205 443173281 /nfs/dbraw/zinc/17/32/81/443173281.db2.gz CFBGXGLQHAYTGQ-JFIYKMOQSA-N 2 0 349.519 1.724 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245393648 443222728 /nfs/dbraw/zinc/22/27/28/443222728.db2.gz DGGZJQQVPWKXKD-JYJNAYRXSA-N 2 0 328.501 1.515 20 0 EDADRP CC(C)CNC(=O)NC(=O)CN[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674566 443236037 /nfs/dbraw/zinc/23/60/37/443236037.db2.gz TWBSYFOQRICCCH-LSDHHAIUSA-N 2 0 338.496 1.711 20 0 EDADRP CC[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+](CC)CC ZINC000266781696 443239656 /nfs/dbraw/zinc/23/96/56/443239656.db2.gz AUWLCMWBLCQSBK-QGZVFWFLSA-N 2 0 347.507 1.570 20 0 EDADRP C[C@H](CNC(=O)c1ccccc1CN1CCOCC1)[N@H+](C)C1CC1 ZINC000266789839 443242232 /nfs/dbraw/zinc/24/22/32/443242232.db2.gz CBJYXLWAUZHYNN-OAHLLOKOSA-N 2 0 331.460 1.731 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000359996954 319115508 /nfs/dbraw/zinc/11/55/08/319115508.db2.gz SNDFSFNKZAOFCS-XJKSGUPXSA-N 2 0 334.439 1.825 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397337091 319134248 /nfs/dbraw/zinc/13/42/48/319134248.db2.gz BJVCOJTVOQHKHE-QLFBSQMISA-N 2 0 327.469 1.552 20 0 EDADRP C[C@@H]1C[C@H](C)[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000397343530 319134310 /nfs/dbraw/zinc/13/43/10/319134310.db2.gz WWVHTROXBLLFPI-HZSPNIEDSA-N 2 0 341.477 1.018 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](C2CC2)C(C)(C)CO)CC1 ZINC000411767749 319202286 /nfs/dbraw/zinc/20/22/86/319202286.db2.gz BUCDLUKVGCRHLE-QGZVFWFLSA-N 2 0 325.497 1.362 20 0 EDADRP Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414682076 319341232 /nfs/dbraw/zinc/34/12/32/319341232.db2.gz XQCCQMRWYDTGNG-INIZCTEOSA-N 2 0 346.475 1.371 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+](Cc2ccccc2)C[C@H]2CCCO2)C1 ZINC000414682727 319341787 /nfs/dbraw/zinc/34/17/87/319341787.db2.gz AIANMPIQZVWCFD-RTBURBONSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]Cc2ccccc2OCCN2CCOCC2)CC[NH2+]1 ZINC000415082364 319345964 /nfs/dbraw/zinc/34/59/64/319345964.db2.gz OFVJMKZTPRUEGG-QZTJIDSGSA-N 2 0 347.503 1.875 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415824493 319375346 /nfs/dbraw/zinc/37/53/46/319375346.db2.gz VNQBETWMQSAJCF-QGZVFWFLSA-N 2 0 346.475 1.629 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000415840164 319377347 /nfs/dbraw/zinc/37/73/47/319377347.db2.gz UCYBXBLRMCACHV-NVXWUHKLSA-N 2 0 346.475 1.711 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCCC[NH2+]C3)ccc21 ZINC000415871477 319380093 /nfs/dbraw/zinc/38/00/93/319380093.db2.gz QJNDPCRRFZVVOY-DOTOQJQBSA-N 2 0 344.459 1.432 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958639 319384868 /nfs/dbraw/zinc/38/48/68/319384868.db2.gz XGIQNIPXUFFQOT-AWEZNQCLSA-N 2 0 349.483 1.128 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000185895472 443278514 /nfs/dbraw/zinc/27/85/14/443278514.db2.gz NKNHCUJYGQHYIT-UHFFFAOYSA-N 2 0 333.476 1.964 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@@H]1CC12CC2 ZINC000416692041 319456114 /nfs/dbraw/zinc/45/61/14/319456114.db2.gz RAZXCFKVKONYGI-INIZCTEOSA-N 2 0 343.475 1.693 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000416827677 319464713 /nfs/dbraw/zinc/46/47/13/319464713.db2.gz RJWYOCCWPBLNBC-CRAIPNDOSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(CC[NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000416937255 319479316 /nfs/dbraw/zinc/47/93/16/319479316.db2.gz CTTMUYUBMDEZFY-IRXDYDNUSA-N 2 0 348.491 1.656 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000282397774 443327200 /nfs/dbraw/zinc/32/72/00/443327200.db2.gz KHNABCMQHZGSQR-OKZBNKHCSA-N 2 0 343.471 1.883 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000417368051 319494726 /nfs/dbraw/zinc/49/47/26/319494726.db2.gz QIWTZOOUWVLPGD-OAHLLOKOSA-N 2 0 334.464 1.426 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000417469238 319495454 /nfs/dbraw/zinc/49/54/54/319495454.db2.gz QBLZJBCDTLPZFZ-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000267108934 443344745 /nfs/dbraw/zinc/34/47/45/443344745.db2.gz YIZVVLMAHRLOBK-UHFFFAOYSA-N 2 0 348.491 1.346 20 0 EDADRP Cc1noc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000191459730 443297353 /nfs/dbraw/zinc/29/73/53/443297353.db2.gz LNXXGLPVPVYLHD-UHFFFAOYSA-N 2 0 335.496 1.974 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419125994 319558723 /nfs/dbraw/zinc/55/87/23/319558723.db2.gz VAYUSBVJOKWHNH-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420369100 319611693 /nfs/dbraw/zinc/61/16/93/319611693.db2.gz BNLDAKVYTICDGP-WBVHZDCISA-N 2 0 325.497 1.757 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1cccs1 ZINC000423306852 319762783 /nfs/dbraw/zinc/76/27/83/319762783.db2.gz MFBXQOPJLWYWRA-HUUCEWRRSA-N 2 0 347.488 1.902 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423341630 319765516 /nfs/dbraw/zinc/76/55/16/319765516.db2.gz WRECASRQAOOPNP-CQSZACIVSA-N 2 0 339.505 1.991 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391433 319769762 /nfs/dbraw/zinc/76/97/62/319769762.db2.gz PLJQAMKPWPYXPA-OLZOCXBDSA-N 2 0 338.418 1.059 20 0 EDADRP COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@@H](C[NH+](C)C)C1 ZINC000265030416 443512928 /nfs/dbraw/zinc/51/29/28/443512928.db2.gz UUWHPHOPZLHRHQ-GJZGRUSLSA-N 2 0 338.448 1.327 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000273019982 443520654 /nfs/dbraw/zinc/52/06/54/443520654.db2.gz CDKIUCPQFYCMBJ-MRXNPFEDSA-N 2 0 345.487 1.170 20 0 EDADRP [NH3+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000286024442 443627982 /nfs/dbraw/zinc/62/79/82/443627982.db2.gz JWUAGAIPWMKTEE-LJQANCHMSA-N 2 0 344.503 1.929 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000432508895 319954725 /nfs/dbraw/zinc/95/47/25/319954725.db2.gz HCEBLYFJVRZOMC-HKUYNNGSSA-N 2 0 344.503 1.703 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358750 320127696 /nfs/dbraw/zinc/12/76/96/320127696.db2.gz ARNLTMAQJUMUIG-FUHWJXTLSA-N 2 0 339.524 1.801 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000449372387 320185409 /nfs/dbraw/zinc/18/54/09/320185409.db2.gz HBXJWXRDZHWMHP-UZLBHIALSA-N 2 0 336.439 1.767 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C(=O)OC)c(C)o2)CC1 ZINC000449745677 320203969 /nfs/dbraw/zinc/20/39/69/320203969.db2.gz OBLWRGMSJZLBRS-UHFFFAOYSA-N 2 0 337.464 1.880 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000449749170 320204492 /nfs/dbraw/zinc/20/44/92/320204492.db2.gz FDTALFZXWMQUOC-UHFFFAOYSA-N 2 0 349.475 1.930 20 0 EDADRP C[NH+](C)CCOCCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455841694 320304452 /nfs/dbraw/zinc/30/44/52/320304452.db2.gz FDVUCKPWHSBHHM-QGZVFWFLSA-N 2 0 334.464 1.935 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000457500494 320328413 /nfs/dbraw/zinc/32/84/13/320328413.db2.gz CAMKWCHADYSCPS-DLBZAZTESA-N 2 0 340.512 1.467 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CCO1 ZINC000457587391 320329584 /nfs/dbraw/zinc/32/95/84/320329584.db2.gz UGLYRAGXIZKEQY-INIZCTEOSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC(C)(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000457590816 320329701 /nfs/dbraw/zinc/32/97/01/320329701.db2.gz ZAFHPAXIUGYFRB-IYBDPMFKSA-N 2 0 342.528 1.905 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCCC[NH+]3CCOCC3)C2)C1 ZINC000457750561 320335071 /nfs/dbraw/zinc/33/50/71/320335071.db2.gz RSGFVJPNZUWZMH-GOSISDBHSA-N 2 0 338.496 1.226 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000276449669 443709771 /nfs/dbraw/zinc/70/97/71/443709771.db2.gz WFUQOTAOMYOUKT-CQSZACIVSA-N 2 0 334.464 1.533 20 0 EDADRP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000520554020 320479294 /nfs/dbraw/zinc/47/92/94/320479294.db2.gz UEOCYXUQXDYUMC-ZFWWWQNUSA-N 2 0 325.428 1.093 20 0 EDADRP CC(C)=CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276633420 443772721 /nfs/dbraw/zinc/77/27/21/443772721.db2.gz XPTJQTYUMLBCLT-UHFFFAOYSA-N 2 0 331.464 1.859 20 0 EDADRP COCCc1noc(CC2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000530244898 320617542 /nfs/dbraw/zinc/61/75/42/320617542.db2.gz QIYOPAJIEMVMMO-ZBFHGGJFSA-N 2 0 336.480 1.901 20 0 EDADRP CC[C@H](C)N(CC(=O)OC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000281216146 443850419 /nfs/dbraw/zinc/85/04/19/443850419.db2.gz KALRSHAAJHAPAV-AWEZNQCLSA-N 2 0 335.452 1.002 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000530895393 320642531 /nfs/dbraw/zinc/64/25/31/320642531.db2.gz IEJWMLOQQLECLB-GDBMZVCRSA-N 2 0 326.510 1.303 20 0 EDADRP CC1(C)COCCN1CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276735039 443807639 /nfs/dbraw/zinc/80/76/39/443807639.db2.gz YTZQTTPUPITYMQ-UHFFFAOYSA-N 2 0 331.460 1.215 20 0 EDADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nnn1-c1ccccc1 ZINC000531357649 320656771 /nfs/dbraw/zinc/65/67/71/320656771.db2.gz PBTMGLISAPXEST-UHFFFAOYSA-N 2 0 344.463 1.141 20 0 EDADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCOCC1 ZINC000276980164 443883378 /nfs/dbraw/zinc/88/33/78/443883378.db2.gz GQMRPWRRONSTOC-IBGZPJMESA-N 2 0 348.487 1.929 20 0 EDADRP COc1c(CNCc2ccncc2OCCC[NH+](C)C)c(C)nn1C ZINC000288516663 443905201 /nfs/dbraw/zinc/90/52/01/443905201.db2.gz JGAZRMWQXSBUCK-UHFFFAOYSA-N 2 0 347.463 1.752 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)c2)CC1 ZINC000293296632 443976034 /nfs/dbraw/zinc/97/60/34/443976034.db2.gz HMSACLKFONZANB-RBUKOAKNSA-N 2 0 342.487 1.258 20 0 EDADRP C[N@H+](CCC1OCCO1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285577172 444034553 /nfs/dbraw/zinc/03/45/53/444034553.db2.gz WQZDYQLISWMCTN-UHFFFAOYSA-N 2 0 333.476 1.499 20 0 EDADRP NC(=O)c1ccc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000299461805 444053018 /nfs/dbraw/zinc/05/30/18/444053018.db2.gz CEXDUDBWOUZJMM-UHFFFAOYSA-N 2 0 340.431 1.200 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)N1CCN(c2ccccc2)CC1 ZINC000299474862 444055644 /nfs/dbraw/zinc/05/56/44/444055644.db2.gz BDYVGZDAGKSQEL-FUHWJXTLSA-N 2 0 330.476 1.408 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C)CO ZINC000293411498 444010114 /nfs/dbraw/zinc/01/01/14/444010114.db2.gz MNABFJXPPHYHKW-INIZCTEOSA-N 2 0 333.476 1.601 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000557241795 321001097 /nfs/dbraw/zinc/00/10/97/321001097.db2.gz HMMLYVMKSXGFCQ-NXOAAHMSSA-N 2 0 338.496 1.127 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000561280790 321038960 /nfs/dbraw/zinc/03/89/60/321038960.db2.gz RSLHMQHFWCTMQM-SJLPKXTDSA-N 2 0 332.448 1.629 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc([C@@H](C)[NH3+])cc3)C2)CC1 ZINC000563073781 321093719 /nfs/dbraw/zinc/09/37/19/321093719.db2.gz LVONUMOGHDNYQW-CRAIPNDOSA-N 2 0 330.476 1.558 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@@H]([NH3+])C3)C2=O)c(OC)c1 ZINC000565226838 321176861 /nfs/dbraw/zinc/17/68/61/321176861.db2.gz OIQJDGZVKJQRMK-INMHGKMJSA-N 2 0 347.459 1.664 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000565765322 321199836 /nfs/dbraw/zinc/19/98/36/321199836.db2.gz ADXLABLXTVFMBJ-ZWKOTPCHSA-N 2 0 328.460 1.775 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000567041214 321239966 /nfs/dbraw/zinc/23/99/66/321239966.db2.gz ANXWNSLBEBWDIS-DOTOQJQBSA-N 3 0 338.540 1.591 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 ZINC000569228399 321321935 /nfs/dbraw/zinc/32/19/35/321321935.db2.gz DELUKSBNFOZBRR-FUHWJXTLSA-N 2 0 334.460 1.950 20 0 EDADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000569482805 321327687 /nfs/dbraw/zinc/32/76/87/321327687.db2.gz WAUMYQVHGCKOPD-MRXNPFEDSA-N 2 0 330.432 1.089 20 0 EDADRP O=C(NCc1ccc(Cn2ccnc2)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000570524506 321345480 /nfs/dbraw/zinc/34/54/80/321345480.db2.gz JMVOLZXLOZKFON-GOSISDBHSA-N 2 0 339.443 1.967 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570941275 321365385 /nfs/dbraw/zinc/36/53/85/321365385.db2.gz UHZQTPDVKGJFFK-MSOLQXFVSA-N 2 0 330.476 1.889 20 0 EDADRP CC(C)(O)CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000571115447 321372734 /nfs/dbraw/zinc/37/27/34/321372734.db2.gz CRJSREYPLAFOCE-UHFFFAOYSA-N 2 0 334.464 1.261 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(-n2cnnn2)cc1 ZINC000282288722 444138876 /nfs/dbraw/zinc/13/88/76/444138876.db2.gz LLOZPRLFAAWIAW-OAHLLOKOSA-N 2 0 343.479 1.339 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c[nH]1 ZINC000289485691 444156372 /nfs/dbraw/zinc/15/63/72/444156372.db2.gz RARXRHYAYDVATE-UHFFFAOYSA-N 2 0 334.464 1.261 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1cccs1 ZINC000574196890 321475173 /nfs/dbraw/zinc/47/51/73/321475173.db2.gz LQBTZDLGRKTCFC-CYBMUJFWSA-N 2 0 336.465 1.111 20 0 EDADRP C[C@@H]([NH2+]CCCn1cc(CO)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289886290 444215052 /nfs/dbraw/zinc/21/50/52/444215052.db2.gz SHOFNCBUDRVTGO-AEFFLSMTSA-N 2 0 343.475 1.661 20 0 EDADRP CC/C=C/CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000296320434 444220270 /nfs/dbraw/zinc/22/02/70/444220270.db2.gz KQDGGPZFCHCSJT-ONEGZZNKSA-N 2 0 331.464 1.859 20 0 EDADRP COCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295749633 444192540 /nfs/dbraw/zinc/19/25/40/444192540.db2.gz NPLBPNFOQMWXHD-QXAKKESOSA-N 2 0 336.476 1.511 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289742100 444197408 /nfs/dbraw/zinc/19/74/08/444197408.db2.gz HEUYASCBTCNISM-MSOLQXFVSA-N 2 0 330.476 1.186 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778898 444202182 /nfs/dbraw/zinc/20/21/82/444202182.db2.gz IYHTVTSEMPHCQZ-IAGOWNOFSA-N 2 0 347.459 1.247 20 0 EDADRP CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000576864624 321602726 /nfs/dbraw/zinc/60/27/26/321602726.db2.gz XYJMXFPEJNPJPI-IBGZPJMESA-N 2 0 336.476 1.519 20 0 EDADRP C[NH+]1CCC(CNc2cc(NCC3CC[NH+](C)CC3)ncn2)CC1 ZINC000302824500 444226234 /nfs/dbraw/zinc/22/62/34/444226234.db2.gz LTTMQMIKNSTJGJ-UHFFFAOYSA-N 2 0 332.496 1.984 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC3=[NH+]CCCN3)CC2)c1 ZINC000303268192 444236116 /nfs/dbraw/zinc/23/61/16/444236116.db2.gz YKXCLETXJSTNLJ-UHFFFAOYSA-N 2 0 329.492 1.836 20 0 EDADRP COc1cc2nc(N3CCn4cncc4C3)nc(N)c2cc1OC ZINC000290773591 444321655 /nfs/dbraw/zinc/32/16/55/444321655.db2.gz VRWDJZNUDKBFHO-UHFFFAOYSA-N 2 0 326.360 1.446 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000323687050 444345202 /nfs/dbraw/zinc/34/52/02/444345202.db2.gz BACBIKBSIDTKSC-SOUVJXGZSA-N 2 0 337.430 1.958 20 0 EDADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000324949925 444360219 /nfs/dbraw/zinc/36/02/19/444360219.db2.gz GOMQLDFMCRQPDW-JKSUJKDBSA-N 2 0 340.512 1.104 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000326337402 444373957 /nfs/dbraw/zinc/37/39/57/444373957.db2.gz JRCNQDGKLJNUCY-GOSISDBHSA-N 2 0 330.476 1.292 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@@H](C(=O)OC)[C@@H](C)CC)CC1 ZINC000321701830 444336889 /nfs/dbraw/zinc/33/68/89/444336889.db2.gz DIJYRZATNGHKMO-XJKSGUPXSA-N 2 0 327.469 1.012 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCC2)[C@H](C)C1 ZINC000337734119 444379831 /nfs/dbraw/zinc/37/98/31/444379831.db2.gz PRZFCPFGCYHVST-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCCC[NH+](C)C ZINC000340467231 444390012 /nfs/dbraw/zinc/39/00/12/444390012.db2.gz YHBFVEBAAJQWAU-LBPRGKRZSA-N 2 0 330.270 1.931 20 0 EDADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000579333914 321920173 /nfs/dbraw/zinc/92/01/73/321920173.db2.gz GWYXATUCQLTTDH-GOSISDBHSA-N 2 0 346.475 1.281 20 0 EDADRP CN1CCN(C(=O)Nc2cccc(OCC(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000581476195 322181706 /nfs/dbraw/zinc/18/17/06/322181706.db2.gz IRFZQKYPQMQPST-GFCCVEGCSA-N 2 0 346.353 1.734 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000581602696 322197457 /nfs/dbraw/zinc/19/74/57/322197457.db2.gz LFZDPQLLBKNTTI-SFHVURJKSA-N 2 0 335.492 1.350 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000581603013 322197613 /nfs/dbraw/zinc/19/76/13/322197613.db2.gz GKZRCZFSBCQJBP-QZTJIDSGSA-N 2 0 335.492 1.269 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H](C[NH3+])C1 ZINC000332290923 444508913 /nfs/dbraw/zinc/50/89/13/444508913.db2.gz JHRDLLNZDIYSCW-MWQQHZPXSA-N 2 0 338.496 1.133 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)C[C@H]21 ZINC000342150165 444535294 /nfs/dbraw/zinc/53/52/94/444535294.db2.gz XDUCQENRFDIXJB-CGTJXYLNSA-N 2 0 337.508 1.901 20 0 EDADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342147726 444533353 /nfs/dbraw/zinc/53/33/53/444533353.db2.gz ZDLBQQPJIWXBDS-QSPRXWTASA-N 2 0 331.460 1.759 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCN1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343853983 444629169 /nfs/dbraw/zinc/62/91/69/444629169.db2.gz UMTIDGFQTWQILI-RTBURBONSA-N 2 0 342.487 1.109 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343797170 444598173 /nfs/dbraw/zinc/59/81/73/444598173.db2.gz LJRVOQPNPXUANH-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H](C)C[NH2+]1 ZINC000333423241 444665986 /nfs/dbraw/zinc/66/59/86/444665986.db2.gz SWKCARLQFMLBJI-MUIFIZLQSA-N 2 0 338.496 1.146 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343973809 444703474 /nfs/dbraw/zinc/70/34/74/444703474.db2.gz GYXFBBGFSXMNAN-HOJAQTOUSA-N 2 0 331.504 1.548 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000341169231 444708152 /nfs/dbraw/zinc/70/81/52/444708152.db2.gz QREYMLLOIXTBLE-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333887135 444709114 /nfs/dbraw/zinc/70/91/14/444709114.db2.gz XJYRLWRUMOPFEQ-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP CC[C@@H](COC)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000341171519 444709496 /nfs/dbraw/zinc/70/94/96/444709496.db2.gz XCXVJEYQQZEHFW-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C)[C@H](C)C3)CC2)CCO1 ZINC000341191528 444720393 /nfs/dbraw/zinc/72/03/93/444720393.db2.gz FQHIGYJOLXOBMN-BZUAXINKSA-N 2 0 338.496 1.364 20 0 EDADRP CCC(CC)[N@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000344009517 444724107 /nfs/dbraw/zinc/72/41/07/444724107.db2.gz AYSOODBTOQHEMA-KRWDZBQOSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333939292 444724212 /nfs/dbraw/zinc/72/42/12/444724212.db2.gz NDMIYOOVJYWXSD-GJZGRUSLSA-N 2 0 338.496 1.127 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000333948636 444727235 /nfs/dbraw/zinc/72/72/35/444727235.db2.gz WMNYHFCLIRYKEI-LSDHHAIUSA-N 2 0 340.537 1.775 20 0 EDADRP COC(=O)CCC[NH+]1CCC(NCC2([NH+](C)C)CCCC2)CC1 ZINC000342552122 444741675 /nfs/dbraw/zinc/74/16/75/444741675.db2.gz FJZHQUGEIJVLGL-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCN1CCOC[C@H]1C ZINC000344131037 444798697 /nfs/dbraw/zinc/79/86/97/444798697.db2.gz NEYYNHJCQJSHEJ-GOSISDBHSA-N 2 0 326.529 1.057 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)N[C@@H](C)CC ZINC000344157712 444812919 /nfs/dbraw/zinc/81/29/19/444812919.db2.gz WJLRBAIHIGIAMW-DLBZAZTESA-N 2 0 326.529 1.639 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)COC2CCOCC2)C1 ZINC000336870228 444814591 /nfs/dbraw/zinc/81/45/91/444814591.db2.gz ICZTZUPXLWJEEJ-SJORKVTESA-N 2 0 326.481 1.207 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000336877788 444823449 /nfs/dbraw/zinc/82/34/49/444823449.db2.gz WMHYUSRMSINFNC-AEFFLSMTSA-N 2 0 337.508 1.997 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341437866 444831211 /nfs/dbraw/zinc/83/12/11/444831211.db2.gz FBHOUJHLADVBJN-GOSISDBHSA-N 2 0 345.535 1.662 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H]([NH+](C)C)C2)CC1 ZINC000341524585 444875462 /nfs/dbraw/zinc/87/54/62/444875462.db2.gz JSULOBGHZPPPGR-AWEZNQCLSA-N 2 0 326.485 1.221 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC000341598673 444914848 /nfs/dbraw/zinc/91/48/48/444914848.db2.gz UDEPEEIYQAORPH-MOPGFXCFSA-N 2 0 347.503 1.888 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCc2cncn2C)CC1 ZINC000339089876 445027382 /nfs/dbraw/zinc/02/73/82/445027382.db2.gz CXQWWJCWGXYUBW-CALCHBBNSA-N 2 0 347.507 1.370 20 0 EDADRP CO[C@@H]1C[C@H](C(=O)N2CCCC2)[N@H+](CCCCn2ccnc2C)C1 ZINC000344471398 444996029 /nfs/dbraw/zinc/99/60/29/444996029.db2.gz IVOMDHQFVFGAMT-IAGOWNOFSA-N 2 0 334.464 1.683 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000344495318 445011230 /nfs/dbraw/zinc/01/12/30/445011230.db2.gz YLVUGUCPJOTTGJ-QGZVFWFLSA-N 2 0 347.507 1.590 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339060511 445013376 /nfs/dbraw/zinc/01/33/76/445013376.db2.gz ZJVYDJARBKOGKI-LSTHTHJFSA-N 2 0 349.494 1.687 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CCCS(=O)(=O)C2)C1 ZINC000341891849 445056273 /nfs/dbraw/zinc/05/62/73/445056273.db2.gz DABIYFAEJRHEQY-HZPDHXFCSA-N 2 0 332.510 1.244 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC1CCCC1 ZINC000337568218 445141212 /nfs/dbraw/zinc/14/12/12/445141212.db2.gz BBWFLXJSQHYYHY-INIZCTEOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CCC[N@@H+]1C ZINC000343424051 445219908 /nfs/dbraw/zinc/21/99/08/445219908.db2.gz CEEXTPOLPQZLPJ-NJAFHUGGSA-N 2 0 331.460 1.486 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343416499 445218443 /nfs/dbraw/zinc/21/84/43/445218443.db2.gz YWGRZGXQFHUXHC-MOPGFXCFSA-N 2 0 342.487 1.157 20 0 EDADRP CN1CCC(CNC(=O)[C@H]([NH3+])CC(F)F)([NH+]2CCCCC2)CC1 ZINC000345693829 445196819 /nfs/dbraw/zinc/19/68/19/445196819.db2.gz OZZXNJOVQUXABH-CYBMUJFWSA-N 2 0 332.439 1.035 20 0 EDADRP Cn1cnc2cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c21 ZINC000343430451 445221213 /nfs/dbraw/zinc/22/12/13/445221213.db2.gz PQRQWOSXJXBBNL-UHFFFAOYSA-N 2 0 345.491 1.919 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)C1 ZINC000347542816 445242000 /nfs/dbraw/zinc/24/20/00/445242000.db2.gz MOXHEDWQMCYZBH-SOUVJXGZSA-N 2 0 328.501 1.323 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000348323751 445257004 /nfs/dbraw/zinc/25/70/04/445257004.db2.gz WYMIVTDSVGSYOE-IKGGRYGDSA-N 2 0 345.553 1.758 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987899 445260570 /nfs/dbraw/zinc/26/05/70/445260570.db2.gz FDMHNPGMGBBNIZ-QZTJIDSGSA-N 2 0 335.492 1.573 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000351789671 445322451 /nfs/dbraw/zinc/32/24/51/445322451.db2.gz MESFMUQUIYSAJL-NVXWUHKLSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)N1CCOCC1 ZINC000343654128 445284792 /nfs/dbraw/zinc/28/47/92/445284792.db2.gz NNQIWLPRZATGQX-XHSDSOJGSA-N 2 0 326.485 1.125 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000354670584 445333991 /nfs/dbraw/zinc/33/39/91/445333991.db2.gz LQQIDELUKCDTDB-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP Cc1ccc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)n2c1 ZINC000357105141 445431216 /nfs/dbraw/zinc/43/12/16/445431216.db2.gz NCFRAAOUIDUHGQ-INIZCTEOSA-N 2 0 326.444 1.824 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000362495093 445411732 /nfs/dbraw/zinc/41/17/32/445411732.db2.gz VACGIUVICYQTBZ-IJEWVQPXSA-N 2 0 328.526 1.452 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359719035 445391138 /nfs/dbraw/zinc/39/11/38/445391138.db2.gz PQFKDUKMDXSRQR-UHFFFAOYSA-N 2 0 331.913 1.881 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354986209 445437969 /nfs/dbraw/zinc/43/79/69/445437969.db2.gz WOGCZPVPRBLXRW-BBWFWOEESA-N 2 0 336.524 1.486 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362567469 445443281 /nfs/dbraw/zinc/44/32/81/445443281.db2.gz ICQQSHVANRVGOK-AWEZNQCLSA-N 2 0 333.480 1.681 20 0 EDADRP C[C@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000352040765 445455888 /nfs/dbraw/zinc/45/58/88/445455888.db2.gz WGBKJWDSUDAQET-HOTGVXAUSA-N 2 0 332.448 1.135 20 0 EDADRP COCCCOc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000348961061 445456392 /nfs/dbraw/zinc/45/63/92/445456392.db2.gz DTVSXHPMKAZGAX-GOSISDBHSA-N 2 0 333.476 1.581 20 0 EDADRP CC[C@H](C)[C@@H](OC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000355451429 445461891 /nfs/dbraw/zinc/46/18/91/445461891.db2.gz YFRAHFPNDGLOII-GVDBMIGSSA-N 2 0 327.513 1.922 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000357295017 445531598 /nfs/dbraw/zinc/53/15/98/445531598.db2.gz ZJSKEKIYWGOEIX-VDZJLULYSA-N 2 0 348.491 1.352 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000359939835 445497362 /nfs/dbraw/zinc/49/73/62/445497362.db2.gz OMEZBZPXAFQKLB-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000362856710 445583148 /nfs/dbraw/zinc/58/31/48/445583148.db2.gz SHXBORPCVLPBKJ-ZBFHGGJFSA-N 2 0 328.526 1.405 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+](CC)C(C)C ZINC000349439912 445587955 /nfs/dbraw/zinc/58/79/55/445587955.db2.gz ZWIRUEGFJLRJDO-INIZCTEOSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000360044430 445542492 /nfs/dbraw/zinc/54/24/92/445542492.db2.gz FLINGOLFBOAPHE-HUUCEWRRSA-N 2 0 336.480 1.704 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000362774102 445544038 /nfs/dbraw/zinc/54/40/38/445544038.db2.gz IDXPOIKAACYTRZ-KRWDZBQOSA-N 2 0 345.491 1.687 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@@H]21 ZINC000353446751 445605884 /nfs/dbraw/zinc/60/58/84/445605884.db2.gz KOHADQOWGYEKJE-PMPSAXMXSA-N 2 0 348.491 1.704 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000360171372 445610350 /nfs/dbraw/zinc/61/03/50/445610350.db2.gz OJXUSLSFWRKULW-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000353460542 445611921 /nfs/dbraw/zinc/61/19/21/445611921.db2.gz OXVIZMSZWVKIAU-JKSUJKDBSA-N 2 0 332.448 1.903 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000362936442 445616759 /nfs/dbraw/zinc/61/67/59/445616759.db2.gz VNFKWBXWEPFUHS-FRFSOERESA-N 2 0 335.448 1.124 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000353396062 445592798 /nfs/dbraw/zinc/59/27/98/445592798.db2.gz QRFMRWXIDHRWNJ-MRXNPFEDSA-N 2 0 328.460 1.749 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)NCCNc2cc[nH+]cc2)([NH+](C)C)C1 ZINC000356235550 445690885 /nfs/dbraw/zinc/69/08/85/445690885.db2.gz XQLMLEDYAASWLJ-QAPCUYQASA-N 2 0 333.480 1.725 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[NH2+][C@@H](C)C3)CCCC2)CC1 ZINC000358692058 445719868 /nfs/dbraw/zinc/71/98/68/445719868.db2.gz OMAXMDMAMJYNHB-JKSUJKDBSA-N 2 0 337.508 1.914 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000353696787 445713969 /nfs/dbraw/zinc/71/39/69/445713969.db2.gz OELACPMOHKHEDP-MRXNPFEDSA-N 2 0 344.503 1.131 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](CO)O2)CC1 ZINC000353705919 445717412 /nfs/dbraw/zinc/71/74/12/445717412.db2.gz OMXUXFQQBPCKLE-MOPGFXCFSA-N 2 0 347.503 1.848 20 0 EDADRP C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000356378199 445760386 /nfs/dbraw/zinc/76/03/86/445760386.db2.gz YUSAOPUORGAOPH-ROUUACIJSA-N 2 0 344.503 1.798 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314338 445763207 /nfs/dbraw/zinc/76/32/07/445763207.db2.gz LKOLTQHFPSGCHY-QZTJIDSGSA-N 2 0 335.492 1.432 20 0 EDADRP OC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCOCC1 ZINC000356454984 445799670 /nfs/dbraw/zinc/79/96/70/445799670.db2.gz LVXRCJILEVYKQN-UHFFFAOYSA-N 2 0 326.481 1.352 20 0 EDADRP [NH3+]Cc1cc(C(=O)NCC2([NH+]3CCSCC3)CCCC2)ccn1 ZINC000361611327 445846569 /nfs/dbraw/zinc/84/65/69/445846569.db2.gz RDBYAHJMWRFOKD-UHFFFAOYSA-N 2 0 334.489 1.632 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@H+](C)C[C@@H]3CCn4ccnc4C3)C2=O)cn1 ZINC000366014811 445962661 /nfs/dbraw/zinc/96/26/61/445962661.db2.gz ZEPJORUKAJMVLQ-ZBFHGGJFSA-N 2 0 342.447 1.306 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025083 445982091 /nfs/dbraw/zinc/98/20/91/445982091.db2.gz KLURWBLSAVCDAZ-IAGOWNOFSA-N 2 0 337.508 1.724 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000373038788 445989263 /nfs/dbraw/zinc/98/92/63/445989263.db2.gz WRMJZQAKKWARAU-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000350916698 445949717 /nfs/dbraw/zinc/94/97/17/445949717.db2.gz FMDIVKAWPQIFGO-KRWDZBQOSA-N 2 0 331.460 1.380 20 0 EDADRP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(N2CCSCC2)n1 ZINC000372969618 445949836 /nfs/dbraw/zinc/94/98/36/445949836.db2.gz NYDBLMOXZRWFSM-JYJNAYRXSA-N 2 0 345.516 1.950 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000373119484 446042702 /nfs/dbraw/zinc/04/27/02/446042702.db2.gz ZAALHAGIASLYEE-ZWKOTPCHSA-N 2 0 325.497 1.489 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000356778506 446008944 /nfs/dbraw/zinc/00/89/44/446008944.db2.gz QNGQZNPSBCGJAQ-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000583371015 326059536 /nfs/dbraw/zinc/05/95/36/326059536.db2.gz PMEMLBSZBNZADQ-BPQIPLTHSA-N 2 0 330.476 1.855 20 0 EDADRP Cc1cccc2nc(CNC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cn21 ZINC000583861374 326153740 /nfs/dbraw/zinc/15/37/40/326153740.db2.gz TWRLGTSTQAJQMP-CWRNSKLLSA-N 2 0 327.432 1.912 20 0 EDADRP O=C(NC[C@@H]1CCCn2ccnc21)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000583921234 326166274 /nfs/dbraw/zinc/16/62/74/326166274.db2.gz GLEOBPXHIZJEKK-YESZJQIVSA-N 2 0 339.443 1.815 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000584118170 326203880 /nfs/dbraw/zinc/20/38/80/326203880.db2.gz LGSUVXNOSLDRCW-INIZCTEOSA-N 2 0 338.496 1.258 20 0 EDADRP CC[C@@H](C(=O)N[C@H]1CC[NH+](CCOC)C1)[N@H+](C)Cc1ccccc1 ZINC000354286255 446081758 /nfs/dbraw/zinc/08/17/58/446081758.db2.gz XGBOWLXDECORPK-ROUUACIJSA-N 2 0 333.476 1.734 20 0 EDADRP CC(C)(C)OC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000373183843 446083568 /nfs/dbraw/zinc/08/35/68/446083568.db2.gz AHEKNYCFPINERT-MRXNPFEDSA-N 2 0 328.497 1.597 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000369347857 446091544 /nfs/dbraw/zinc/09/15/44/446091544.db2.gz RAYSLUUFOGJHHC-MRXNPFEDSA-N 2 0 347.507 1.432 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000356894384 446101500 /nfs/dbraw/zinc/10/15/00/446101500.db2.gz LBBONSUXGBSFTQ-IRXDYDNUSA-N 2 0 327.513 1.802 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[NH+]3CCCCC3)n2)CC1 ZINC000369654787 446140419 /nfs/dbraw/zinc/14/04/19/446140419.db2.gz MRERADFVYZPPJT-UHFFFAOYSA-N 2 0 334.468 1.757 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365277290 446121748 /nfs/dbraw/zinc/12/17/48/446121748.db2.gz TTXRBPAEJZNDPZ-ZACQAIPSSA-N 2 0 335.492 1.430 20 0 EDADRP CCO[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000362022134 446159374 /nfs/dbraw/zinc/15/93/74/446159374.db2.gz GHFUDFKFCREIOR-OKZBNKHCSA-N 2 0 349.475 1.189 20 0 EDADRP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000362022131 446159520 /nfs/dbraw/zinc/15/95/20/446159520.db2.gz GHFUDFKFCREIOR-KZNAEPCWSA-N 2 0 349.475 1.189 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351544462 446146113 /nfs/dbraw/zinc/14/61/13/446146113.db2.gz UXOWHKKGANSCLM-GOEBONIOSA-N 2 0 346.475 1.100 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369683112 446146556 /nfs/dbraw/zinc/14/65/56/446146556.db2.gz IYJLDSADZXEPHN-AWEZNQCLSA-N 2 0 336.484 2.002 20 0 EDADRP O=C([C@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000365325664 446148055 /nfs/dbraw/zinc/14/80/55/446148055.db2.gz KPIMINGKLWANIO-NSHGMRRFSA-N 2 0 343.471 1.224 20 0 EDADRP CC(C)c1cc(NCCN2CCC([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000362130285 446227533 /nfs/dbraw/zinc/22/75/33/446227533.db2.gz PLXGXLRVBVTDDP-UHFFFAOYSA-N 2 0 334.512 2.104 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000366516583 446245655 /nfs/dbraw/zinc/24/56/55/446245655.db2.gz GQCQRBVKXDYMBI-WFFDWFOESA-N 2 0 349.519 1.866 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366555078 446260395 /nfs/dbraw/zinc/26/03/95/446260395.db2.gz LMXXWIRZMFDJKW-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)CCCCN1CCOCC1 ZINC000359516788 446271041 /nfs/dbraw/zinc/27/10/41/446271041.db2.gz NAYUIFNLGBNSLN-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP C[C@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000366687355 446310923 /nfs/dbraw/zinc/31/09/23/446310923.db2.gz MZCACOUVYNCXCN-OWCLPIDISA-N 2 0 325.497 1.553 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373844661 446336406 /nfs/dbraw/zinc/33/64/06/446336406.db2.gz KSZKSKBCNLZGFV-MRXNPFEDSA-N 2 0 332.452 1.324 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CCC[NH2+]1 ZINC000417509562 446358038 /nfs/dbraw/zinc/35/80/38/446358038.db2.gz VSJCWYYVEOFXEL-ROUUACIJSA-N 2 0 330.476 1.602 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516591 446359929 /nfs/dbraw/zinc/35/99/29/446359929.db2.gz OBUFLGHXYJEEJI-MSOLQXFVSA-N 2 0 348.491 1.747 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CNc3ccn(CC[NH+](C)C)n3)sc2C1 ZINC000374608538 446379210 /nfs/dbraw/zinc/37/92/10/446379210.db2.gz CAEWFLBRQUWYNE-UHFFFAOYSA-N 2 0 348.520 2.280 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000370708682 446397194 /nfs/dbraw/zinc/39/71/94/446397194.db2.gz MEHCAVNEPNVLBJ-QGZVFWFLSA-N 2 0 337.427 1.144 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000431790337 446433732 /nfs/dbraw/zinc/43/37/32/446433732.db2.gz XEMXFWNUDLUREC-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000423133710 446434384 /nfs/dbraw/zinc/43/43/84/446434384.db2.gz VYLZFRYNSVZTEO-CHWSQXEVSA-N 2 0 331.507 1.618 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420268978 446441653 /nfs/dbraw/zinc/44/16/53/446441653.db2.gz HHVUADUHUUEJRJ-ZDUSSCGKSA-N 2 0 333.432 1.149 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000370789271 446442722 /nfs/dbraw/zinc/44/27/22/446442722.db2.gz WMOUUZOKFHXTHO-DLBZAZTESA-N 2 0 333.501 1.814 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N(C1CC1)C1CC[NH2+]CC1 ZINC000370793290 446445723 /nfs/dbraw/zinc/44/57/23/446445723.db2.gz KPXCHFVIBUGBIB-UHFFFAOYSA-N 2 0 335.492 1.765 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417972862 446404532 /nfs/dbraw/zinc/40/45/32/446404532.db2.gz BUPLKIZNGNUGQJ-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417984144 446407367 /nfs/dbraw/zinc/40/73/67/446407367.db2.gz CRNNZVBIQYOHAY-RHSMWYFYSA-N 2 0 334.464 1.050 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417987220 446408359 /nfs/dbraw/zinc/40/83/59/446408359.db2.gz OLXFYYIYBVMQIB-CVEARBPZSA-N 2 0 348.491 1.739 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@@H](C)C[NH2+]1 ZINC000417989375 446408633 /nfs/dbraw/zinc/40/86/33/446408633.db2.gz JKYXJRPYELBLLK-VKJFTORMSA-N 2 0 346.475 1.145 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418006859 446413614 /nfs/dbraw/zinc/41/36/14/446413614.db2.gz FMPGLYAMXGJCOG-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006564 446413977 /nfs/dbraw/zinc/41/39/77/446413977.db2.gz MMYCJSJBSAXSSN-XYVMCAHJSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418009179 446414526 /nfs/dbraw/zinc/41/45/26/446414526.db2.gz HVSHWWFTDDHKKI-BGTYHANMSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014356 446416377 /nfs/dbraw/zinc/41/63/77/446416377.db2.gz OEGZCGYDOKQFLV-CRAIPNDOSA-N 2 0 330.476 1.900 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](CC[C@@H](C)CC[N@H+]2CC[C@H](C(=O)OC)C2)C1 ZINC000411181005 446420148 /nfs/dbraw/zinc/42/01/48/446420148.db2.gz OFEALWKCUPFSRB-PHZGNYQRSA-N 2 0 340.464 1.393 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418192067 446455539 /nfs/dbraw/zinc/45/55/39/446455539.db2.gz YFRSUOPNRSSVJB-INMHGKMJSA-N 2 0 334.464 1.274 20 0 EDADRP C[NH2+]CCN[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423238091 446461596 /nfs/dbraw/zinc/46/15/96/446461596.db2.gz FADMXQCHTDQQDF-MRXNPFEDSA-N 2 0 338.883 1.387 20 0 EDADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420301377 446464472 /nfs/dbraw/zinc/46/44/72/446464472.db2.gz VQWAZGOLZLYLKB-INIZCTEOSA-N 2 0 339.480 1.254 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@]2([NH+](C)C)CCCSC2)C1 ZINC000367019181 446466348 /nfs/dbraw/zinc/46/63/48/446466348.db2.gz GTIZOYZEVZUHBN-RDJZCZTQSA-N 2 0 327.538 1.908 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420304474 446467975 /nfs/dbraw/zinc/46/79/75/446467975.db2.gz IYSNFQQISTUIIS-UHFFFAOYSA-N 2 0 345.443 1.512 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420306006 446469983 /nfs/dbraw/zinc/46/99/83/446469983.db2.gz HEWCBUHARSDQJW-CQSZACIVSA-N 2 0 333.432 1.863 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000452800579 446475472 /nfs/dbraw/zinc/47/54/72/446475472.db2.gz RSSFWJXSKPCEMX-IAGOWNOFSA-N 2 0 325.497 1.460 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CCCc2ccncc2)C1)[C@@H]1CCC[NH2+]1 ZINC000420312023 446475895 /nfs/dbraw/zinc/47/58/95/446475895.db2.gz HPGZDEWDBBIIEN-MSOLQXFVSA-N 2 0 330.476 1.594 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000423308030 446482622 /nfs/dbraw/zinc/48/26/22/446482622.db2.gz XBDQVKWOJJLVCT-IYBDPMFKSA-N 2 0 333.476 1.678 20 0 EDADRP COc1cc(OC)cc(C(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420319947 446485877 /nfs/dbraw/zinc/48/58/77/446485877.db2.gz PQOZMZXOPNGSJF-HNNXBMFYSA-N 2 0 347.459 1.461 20 0 EDADRP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321966 446488378 /nfs/dbraw/zinc/48/83/78/446488378.db2.gz DLTRALYDPGHLSB-LSDHHAIUSA-N 2 0 345.443 1.733 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418294573 446489239 /nfs/dbraw/zinc/48/92/39/446489239.db2.gz GDNWGZUEXONSOB-UHFFFAOYSA-N 2 0 347.507 1.101 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1)[C@@H](C)[NH3+] ZINC000423333380 446491400 /nfs/dbraw/zinc/49/14/00/446491400.db2.gz ROEQLPJUVYVCSD-COXVUDFISA-N 2 0 346.475 1.694 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COC1CC[NH2+]CC1)Cc1ccccc1 ZINC000423335098 446493340 /nfs/dbraw/zinc/49/33/40/446493340.db2.gz UAUDVPUZBXMAEF-SFHVURJKSA-N 2 0 347.503 1.824 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420327513 446494660 /nfs/dbraw/zinc/49/46/60/446494660.db2.gz LKUQSQNBNRZDFA-MJGOQNOKSA-N 2 0 331.460 1.439 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420334391 446504035 /nfs/dbraw/zinc/50/40/35/446504035.db2.gz UISVRYLMXBZGAV-OWSLCNJRSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000418368566 446516156 /nfs/dbraw/zinc/51/61/56/446516156.db2.gz MVNYEDJAWVOWGS-WMZOPIPTSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CC(=O)Nc2ccccc21 ZINC000420339522 446509568 /nfs/dbraw/zinc/50/95/68/446509568.db2.gz LXNGICWQDNKAOC-LSDHHAIUSA-N 2 0 342.443 1.293 20 0 EDADRP C[C@@H](C1CC1)N(C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CC1 ZINC000420341633 446513111 /nfs/dbraw/zinc/51/31/11/446513111.db2.gz VITYWBWMYPACLH-IRWQIABSSA-N 2 0 335.492 1.604 20 0 EDADRP CN(CCCOc1ccccc1)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330989 446500602 /nfs/dbraw/zinc/50/06/02/446500602.db2.gz IORUFJHTPDQHJW-HDICACEKSA-N 2 0 345.487 1.845 20 0 EDADRP CN1CCNC[C@H]1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000423518453 446559129 /nfs/dbraw/zinc/55/91/29/446559129.db2.gz OSHITELUXYIWQG-MHJFOBGBSA-N 2 0 330.520 1.923 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000375070062 446559789 /nfs/dbraw/zinc/55/97/89/446559789.db2.gz KYVRMUIMWPFHHU-CYBMUJFWSA-N 2 0 343.406 1.845 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420384286 446560527 /nfs/dbraw/zinc/56/05/27/446560527.db2.gz GLZMTNDYGVWSBX-UAGQMJEPSA-N 2 0 325.497 1.756 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000420345450 446517214 /nfs/dbraw/zinc/51/72/14/446517214.db2.gz VLCIKWQAVFLLHP-BBWFWOEESA-N 2 0 329.444 1.038 20 0 EDADRP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000420345563 446518678 /nfs/dbraw/zinc/51/86/78/446518678.db2.gz VTPIEDBYSHEISO-SOUVJXGZSA-N 2 0 347.459 1.962 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418375617 446520072 /nfs/dbraw/zinc/52/00/72/446520072.db2.gz DZJRJADJJKUIEN-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CCCCC1 ZINC000418377700 446520696 /nfs/dbraw/zinc/52/06/96/446520696.db2.gz JFOAWEMBQDJGGC-HZPDHXFCSA-N 2 0 326.485 1.040 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418377217 446521761 /nfs/dbraw/zinc/52/17/61/446521761.db2.gz VBXWCNITTMZQQA-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC[NH2+]CC1 ZINC000423408564 446522168 /nfs/dbraw/zinc/52/21/68/446522168.db2.gz OWYZFOCTULPYIA-CQSZACIVSA-N 2 0 330.436 1.329 20 0 EDADRP [NH3+]C1CCC(NC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000418389348 446524605 /nfs/dbraw/zinc/52/46/05/446524605.db2.gz RNXPNRUOFDAAAG-OPQOLIRYSA-N 2 0 346.475 1.191 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423418140 446525218 /nfs/dbraw/zinc/52/52/18/446525218.db2.gz UGAGSRAHUBSZGZ-MSOLQXFVSA-N 2 0 345.491 1.802 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423422397 446528484 /nfs/dbraw/zinc/52/84/84/446528484.db2.gz CQHPVMGAMMFEIU-MRXNPFEDSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420354703 446534132 /nfs/dbraw/zinc/53/41/32/446534132.db2.gz BIHRFRBFTKDLDA-FXRXJOCMSA-N 2 0 332.492 1.382 20 0 EDADRP NC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1Cl ZINC000433136853 446536076 /nfs/dbraw/zinc/53/60/76/446536076.db2.gz YULWTEFTEYWRME-UHFFFAOYSA-N 2 0 338.839 1.581 20 0 EDADRP CC(C)n1ccnc1CN1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000367370519 446539952 /nfs/dbraw/zinc/53/99/52/446539952.db2.gz LVOBZAXQPRYFQA-IAGOWNOFSA-N 2 0 347.507 1.886 20 0 EDADRP COC(=O)C1(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CCCCC1 ZINC000433165183 446540051 /nfs/dbraw/zinc/54/00/51/446540051.db2.gz UBPRHBMHRWUXIO-UHFFFAOYSA-N 2 0 325.453 1.182 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418434375 446542043 /nfs/dbraw/zinc/54/20/43/446542043.db2.gz VQMIAIQGYJVJIK-ZACQAIPSSA-N 2 0 340.512 1.646 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000420395463 446569779 /nfs/dbraw/zinc/56/97/79/446569779.db2.gz DIJQIPRCSCCTET-UFYCRDLUSA-N 2 0 325.456 1.564 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000418507241 446571138 /nfs/dbraw/zinc/57/11/38/446571138.db2.gz IMUCIWJHNOIOBS-DLBZAZTESA-N 2 0 346.475 1.050 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCCc3ccsc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397243 446571590 /nfs/dbraw/zinc/57/15/90/446571590.db2.gz FKGOKZYQGUOWLA-DLBZAZTESA-N 2 0 348.516 1.901 20 0 EDADRP CCc1ccc([C@@H](CO)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000411507866 446577489 /nfs/dbraw/zinc/57/74/89/446577489.db2.gz JECUUSKYRSSMPS-GOSISDBHSA-N 2 0 333.476 1.473 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418542078 446586401 /nfs/dbraw/zinc/58/64/01/446586401.db2.gz HESBVRNHXLYMJI-WCZJQEMASA-N 2 0 346.475 1.580 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418549509 446589515 /nfs/dbraw/zinc/58/95/15/446589515.db2.gz KZYWTWKMGZULIG-RUGDWHBFSA-N 2 0 346.475 1.438 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)COCC3CC3)CC2)CC1 ZINC000371086294 446619852 /nfs/dbraw/zinc/61/98/52/446619852.db2.gz KSAJCAPERCGHOO-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418589857 446605109 /nfs/dbraw/zinc/60/51/09/446605109.db2.gz JNXJUYMCPYFIAJ-OAGGEKHMSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H]1C ZINC000418657380 446637172 /nfs/dbraw/zinc/63/71/72/446637172.db2.gz HLJIVSPDOKKPNZ-RYRKJORJSA-N 2 0 348.491 1.563 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423745337 446673858 /nfs/dbraw/zinc/67/38/58/446673858.db2.gz MHABTPUSPZQYPY-CVEARBPZSA-N 2 0 339.480 1.252 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000423744455 446674725 /nfs/dbraw/zinc/67/47/25/446674725.db2.gz NWSPSYMIANJWSV-PKOBYXMFSA-N 2 0 330.476 1.099 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000411631295 446628632 /nfs/dbraw/zinc/62/86/32/446628632.db2.gz MBSHMPITDCWSBR-JKSUJKDBSA-N 2 0 325.497 1.770 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368157005 446675825 /nfs/dbraw/zinc/67/58/25/446675825.db2.gz UYGIGVJUWIVZEA-HOTGVXAUSA-N 2 0 334.439 1.015 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418645858 446630065 /nfs/dbraw/zinc/63/00/65/446630065.db2.gz WQJIIQXLMZDGSJ-WMZOPIPTSA-N 2 0 330.476 1.998 20 0 EDADRP O=S1(=O)CCCN1C1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000371110172 446634969 /nfs/dbraw/zinc/63/49/69/446634969.db2.gz XPURKTHOYILAAM-MYBQVCMBSA-N 2 0 341.521 1.550 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000423769062 446696593 /nfs/dbraw/zinc/69/65/93/446696593.db2.gz YCQYMABFMYVFRP-INIZCTEOSA-N 2 0 348.495 1.539 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)C3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000423828605 446717649 /nfs/dbraw/zinc/71/76/49/446717649.db2.gz OHKHVXSHEDXRCK-IAGOWNOFSA-N 2 0 329.444 1.971 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833973 446723148 /nfs/dbraw/zinc/72/31/48/446723148.db2.gz TXWIBUVWWIHMOZ-RCCFBDPRSA-N 2 0 345.443 1.078 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423837817 446725409 /nfs/dbraw/zinc/72/54/09/446725409.db2.gz BSRZYPQEDKMSMK-YESZJQIVSA-N 2 0 335.423 1.094 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000423751408 446681509 /nfs/dbraw/zinc/68/15/09/446681509.db2.gz FIMKGQOLTQCFSC-KRWDZBQOSA-N 2 0 344.459 1.393 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423895643 446747820 /nfs/dbraw/zinc/74/78/20/446747820.db2.gz GCIHUSFZSNTXAS-DZOHQFGASA-N 2 0 331.460 1.126 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371291076 446748703 /nfs/dbraw/zinc/74/87/03/446748703.db2.gz XPRMZXABBQZBLP-INIZCTEOSA-N 3 0 339.528 1.137 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@]2(C)CCCC[NH2+]2)CCC[N@@H+]1C ZINC000423929469 446779965 /nfs/dbraw/zinc/77/99/65/446779965.db2.gz IYCLCOGONZHPFU-LESCRADOSA-N 2 0 333.480 1.451 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000423990769 446811114 /nfs/dbraw/zinc/81/11/14/446811114.db2.gz ZOUAMFCYHZYSGU-YJBOKZPZSA-N 2 0 330.476 1.636 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018493 446824716 /nfs/dbraw/zinc/82/47/16/446824716.db2.gz JFHOPHYQQCXBCD-QGZVFWFLSA-N 3 0 332.492 1.614 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000424150802 446860515 /nfs/dbraw/zinc/86/05/15/446860515.db2.gz ZMKRNHFJOPTAHO-CABCVRRESA-N 2 0 331.464 1.435 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cn[nH]c1[C@H]1CCC[NH2+]C1 ZINC000424136398 446860561 /nfs/dbraw/zinc/86/05/61/446860561.db2.gz ANYKUVOKYYUPEW-LBPRGKRZSA-N 2 0 337.387 1.710 20 0 EDADRP C[C@H]1CC2(CN1C(=O)c1ccc3c(c1)CC[NH2+]CC3)CC[NH2+]CC2 ZINC000424232752 446864037 /nfs/dbraw/zinc/86/40/37/446864037.db2.gz HSFZEDZCOPFUEW-HNNXBMFYSA-N 2 0 327.472 1.979 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377036075 446875497 /nfs/dbraw/zinc/87/54/97/446875497.db2.gz WRIQUCGLABVIAS-MISYRCLQSA-N 2 0 349.567 1.560 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC000368482297 446889654 /nfs/dbraw/zinc/88/96/54/446889654.db2.gz JJPXEYXXLRXLDK-HNNXBMFYSA-N 2 0 329.510 1.076 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@@H](C)C[N@@H+]1C ZINC000412229567 446906391 /nfs/dbraw/zinc/90/63/91/446906391.db2.gz QLFAFPRATDFTQE-YCPHGPKFSA-N 2 0 325.522 1.755 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412231416 446906409 /nfs/dbraw/zinc/90/64/09/446906409.db2.gz PVSHVGVMGDRRNO-FMKPAKJESA-N 2 0 325.522 1.755 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000368555926 446943264 /nfs/dbraw/zinc/94/32/64/446943264.db2.gz IMSCWCVSIPCCKE-RBSFLKMASA-N 2 0 345.443 1.922 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371765471 446960135 /nfs/dbraw/zinc/96/01/35/446960135.db2.gz LGGDWJKUJIBBLM-GVDBMIGSSA-N 2 0 338.496 1.080 20 0 EDADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000375732417 447008569 /nfs/dbraw/zinc/00/85/69/447008569.db2.gz QVDQYVCEWIXYDD-ZIAGYGMSSA-N 2 0 330.432 1.188 20 0 EDADRP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1CC[C@@H](O)c1ccccc1 ZINC000375685031 446974242 /nfs/dbraw/zinc/97/42/42/446974242.db2.gz LQAJSUYZXUFKGF-DFQSSKMNSA-N 2 0 347.503 1.447 20 0 EDADRP CCOC1CC(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000375712770 446994152 /nfs/dbraw/zinc/99/41/52/446994152.db2.gz YYGCRIPVCCVLEC-ACBHZAAOSA-N 2 0 339.524 1.528 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000372098755 447000395 /nfs/dbraw/zinc/00/03/95/447000395.db2.gz NCOZNFWADOKHCY-FJIDUMEYSA-N 2 0 334.508 1.146 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000372103329 447002889 /nfs/dbraw/zinc/00/28/89/447002889.db2.gz SZOZJIUDZNLJBW-IBGZPJMESA-N 2 0 348.466 1.142 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000372105768 447004975 /nfs/dbraw/zinc/00/49/75/447004975.db2.gz QMWPYRKUUDLJSJ-IPMKNSEASA-N 2 0 345.487 1.676 20 0 EDADRP CN1CCO[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@@H]21 ZINC000455035455 447032580 /nfs/dbraw/zinc/03/25/80/447032580.db2.gz OSHFZQCKBASCDE-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000419271968 447047120 /nfs/dbraw/zinc/04/71/20/447047120.db2.gz UHNHFDZBFNEBNB-QGZVFWFLSA-N 2 0 346.475 1.094 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000368711925 447059582 /nfs/dbraw/zinc/05/95/82/447059582.db2.gz JABLWZRHQVPDRS-CQSZACIVSA-N 2 0 329.404 1.397 20 0 EDADRP C[NH+](C)CCC[NH2+][C@H](C1CC1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000375854908 447102570 /nfs/dbraw/zinc/10/25/70/447102570.db2.gz XAQJNVYAXNHWES-HZPDHXFCSA-N 2 0 341.496 1.942 20 0 EDADRP Cc1csc(=O)n1CC[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904016 447135348 /nfs/dbraw/zinc/13/53/48/447135348.db2.gz JBGOXXOMBGJUQJ-INIZCTEOSA-N 2 0 338.521 1.319 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCCN(c3ccccn3)C2)CC1 ZINC000377444493 447136487 /nfs/dbraw/zinc/13/64/87/447136487.db2.gz FTIMYAGUDMSZCM-QGZVFWFLSA-N 2 0 345.491 1.004 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419386989 447143797 /nfs/dbraw/zinc/14/37/97/447143797.db2.gz AFJIDYWFHQMHMF-ZIAGYGMSSA-N 2 0 340.512 1.392 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419403719 447154143 /nfs/dbraw/zinc/15/41/43/447154143.db2.gz QLYGAVAONWVCNT-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000425482047 447186281 /nfs/dbraw/zinc/18/62/81/447186281.db2.gz SOMZHGNIYGPOLA-MRXNPFEDSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419428625 447169276 /nfs/dbraw/zinc/16/92/76/447169276.db2.gz ATLVZKVXXGCGPO-YYIAUSFCSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[NH+](C4CCC4)CC3)n2)CC1 ZINC000376035288 447224567 /nfs/dbraw/zinc/22/45/67/447224567.db2.gz QYOJKKHXRLKAKG-UHFFFAOYSA-N 2 0 346.479 1.852 20 0 EDADRP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000421826672 447260663 /nfs/dbraw/zinc/26/06/63/447260663.db2.gz UHYHNTFOSNDNSV-CVEARBPZSA-N 2 0 325.497 1.901 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379682563 447453564 /nfs/dbraw/zinc/45/35/64/447453564.db2.gz XVYSCZTVCMUEBT-WMZOPIPTSA-N 2 0 330.476 1.061 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494655630 447454154 /nfs/dbraw/zinc/45/41/54/447454154.db2.gz RIVNTHDNQFHVOV-FGTMMUONSA-N 2 0 336.524 1.536 20 0 EDADRP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000450323552 447454736 /nfs/dbraw/zinc/45/47/36/447454736.db2.gz ISIXKCCSNZDCTP-QZTJIDSGSA-N 2 0 328.497 1.454 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000383346436 447465086 /nfs/dbraw/zinc/46/50/86/447465086.db2.gz MQCSCERAIGNKLR-MOPGFXCFSA-N 2 0 328.460 1.746 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000388919358 447481890 /nfs/dbraw/zinc/48/18/90/447481890.db2.gz VJEQZFPKHJHVQF-PMACEKPBSA-N 2 0 349.519 1.522 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000389926178 447488922 /nfs/dbraw/zinc/48/89/22/447488922.db2.gz WKCJTCQREOOKNW-OIISXLGYSA-N 2 0 333.501 1.718 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419936377 447500388 /nfs/dbraw/zinc/50/03/88/447500388.db2.gz UDCNLZDUZKPSRI-HLLBOEOZSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390925371 447505993 /nfs/dbraw/zinc/50/59/93/447505993.db2.gz JEFWZXWZEGGOSZ-IPMKNSEASA-N 2 0 345.487 1.911 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391038724 447510084 /nfs/dbraw/zinc/51/00/84/447510084.db2.gz ZTLGSFUESDTYHW-HUUCEWRRSA-N 2 0 341.402 1.376 20 0 EDADRP COc1cc2c(cc1C[N@@H+]1CC[C@H](N3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000392182013 447521327 /nfs/dbraw/zinc/52/13/27/447521327.db2.gz CWXDDOVNNQZRGW-PBHICJAKSA-N 2 0 331.460 1.498 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000457417207 447576618 /nfs/dbraw/zinc/57/66/18/447576618.db2.gz FUSKEOOWCRUNLA-IYBDPMFKSA-N 2 0 326.485 1.268 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)COC2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000398123651 447556089 /nfs/dbraw/zinc/55/60/89/447556089.db2.gz HOZDQMIDUQPTPX-NVXWUHKLSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416299391 447560111 /nfs/dbraw/zinc/56/01/11/447560111.db2.gz CUBBXUJNNGCSBG-IAGOWNOFSA-N 2 0 345.487 1.348 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459349495 447641782 /nfs/dbraw/zinc/64/17/82/447641782.db2.gz FBWSOUQRRXAAGH-INIZCTEOSA-N 2 0 334.464 1.992 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000420155152 447643734 /nfs/dbraw/zinc/64/37/34/447643734.db2.gz FCYUKQCKNHHMCF-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000416816090 447691336 /nfs/dbraw/zinc/69/13/36/447691336.db2.gz ILEFPHCYLSUWEX-TZMCWYRMSA-N 2 0 338.452 1.343 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416839137 447694494 /nfs/dbraw/zinc/69/44/94/447694494.db2.gz JKONWYDZUOZNAT-GOSISDBHSA-N 2 0 344.503 1.944 20 0 EDADRP CN(C)CC(C)(C)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000459535541 447698240 /nfs/dbraw/zinc/69/82/40/447698240.db2.gz JUQHGTHSQAKHNE-UHFFFAOYSA-N 3 0 333.480 1.050 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000422602749 447665089 /nfs/dbraw/zinc/66/50/89/447665089.db2.gz IANOWDXAQRMVQP-GJZGRUSLSA-N 2 0 326.485 1.181 20 0 EDADRP CN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495962052 447678170 /nfs/dbraw/zinc/67/81/70/447678170.db2.gz OFNRPIKDDHYBAV-FUHWJXTLSA-N 2 0 334.464 1.029 20 0 EDADRP C[C@@H]1C[C@H](C)N(CC(=O)NCCc2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000422642552 447686329 /nfs/dbraw/zinc/68/63/29/447686329.db2.gz ZOWCGYBOIPJNRZ-HZSPNIEDSA-N 2 0 339.430 1.929 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416807213 447689093 /nfs/dbraw/zinc/68/90/93/447689093.db2.gz GXRDXIWPYBQCTJ-INIZCTEOSA-N 2 0 340.512 1.838 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000457982892 447689383 /nfs/dbraw/zinc/68/93/83/447689383.db2.gz KRQGPBKMNXELHN-GOSISDBHSA-N 2 0 338.496 1.225 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416823474 447691083 /nfs/dbraw/zinc/69/10/83/447691083.db2.gz YLYBSFWMUMYRAO-ZIAGYGMSSA-N 2 0 338.452 1.343 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H](C)O1 ZINC000416939115 447715590 /nfs/dbraw/zinc/71/55/90/447715590.db2.gz GWVUKORTZUFXLH-LZWOXQAQSA-N 2 0 326.485 1.302 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416949406 447721838 /nfs/dbraw/zinc/72/18/38/447721838.db2.gz HDNGJHNKBRDIFQ-GOEBONIOSA-N 2 0 328.501 1.550 20 0 EDADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422711556 447724106 /nfs/dbraw/zinc/72/41/06/447724106.db2.gz NIDWEHKFXRKDKE-NBYUQASBSA-N 2 0 347.503 1.710 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422835944 447764322 /nfs/dbraw/zinc/76/43/22/447764322.db2.gz ZKWNLOVXBSAHFL-IAGOWNOFSA-N 2 0 332.496 1.096 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000422735160 447732550 /nfs/dbraw/zinc/73/25/50/447732550.db2.gz VQHSGGVXLIHDKO-GDBMZVCRSA-N 2 0 327.432 1.609 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl ZINC000422794083 447751243 /nfs/dbraw/zinc/75/12/43/447751243.db2.gz GHHOJPVQQSXWIX-GMIGKAJZSA-N 2 0 344.858 1.972 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2csc(C)n2)CC[NH2+]CC1 ZINC000422819512 447758554 /nfs/dbraw/zinc/75/85/54/447758554.db2.gz NCERVYRJYQQEFN-LBPRGKRZSA-N 2 0 325.478 1.905 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422929095 447774297 /nfs/dbraw/zinc/77/42/97/447774297.db2.gz OGCZPTKOKYQZFK-WBVHZDCISA-N 2 0 339.505 1.934 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422963776 447782301 /nfs/dbraw/zinc/78/23/01/447782301.db2.gz JLYMXEXSUMHREY-IAGOWNOFSA-N 2 0 345.553 1.947 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000451984376 447796741 /nfs/dbraw/zinc/79/67/41/447796741.db2.gz KXZSNBAKMLLXEG-DLBZAZTESA-N 2 0 338.540 1.687 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000471649055 447806313 /nfs/dbraw/zinc/80/63/13/447806313.db2.gz NOIXFYBQDMFTKK-OAHLLOKOSA-N 2 0 338.452 1.294 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000487367124 447830499 /nfs/dbraw/zinc/83/04/99/447830499.db2.gz OVIFJIOIGVCQSG-OAHLLOKOSA-N 2 0 333.476 1.665 20 0 EDADRP CN(C[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704575 447852404 /nfs/dbraw/zinc/85/24/04/447852404.db2.gz YTXQLEVNFRSMPK-CVEARBPZSA-N 2 0 341.496 1.632 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000497105907 447859395 /nfs/dbraw/zinc/85/93/95/447859395.db2.gz JCGQRUCYWGIKEW-LSDHHAIUSA-N 2 0 329.485 1.488 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000549126784 447864840 /nfs/dbraw/zinc/86/48/40/447864840.db2.gz JUGUEAVGZGLEEX-WMZOPIPTSA-N 2 0 331.460 1.345 20 0 EDADRP CSC1(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)CC[NH+](C)CC1 ZINC000575973466 447940476 /nfs/dbraw/zinc/94/04/76/447940476.db2.gz VDMPYUKGJUTRRC-OAHLLOKOSA-N 2 0 328.526 1.503 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000552325942 447944578 /nfs/dbraw/zinc/94/45/78/447944578.db2.gz DOUXTRGIJBDTTJ-KRWDZBQOSA-N 2 0 327.476 1.935 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000569947819 447926608 /nfs/dbraw/zinc/92/66/08/447926608.db2.gz INSXIICQQSHYGI-QGZVFWFLSA-N 2 0 330.476 1.602 20 0 EDADRP C[C@@H](NC(=O)C[C@H]1CCCC[C@H]1[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000575921429 447928033 /nfs/dbraw/zinc/92/80/33/447928033.db2.gz ZUILBUIMXHSCJH-BZUAXINKSA-N 2 0 338.496 1.001 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)CC2(C[NH3+])CC2)C1 ZINC000570399974 448004651 /nfs/dbraw/zinc/00/46/51/448004651.db2.gz VPKDODJFIJTZID-OAHLLOKOSA-N 2 0 344.459 1.451 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531064905 448013084 /nfs/dbraw/zinc/01/30/84/448013084.db2.gz SCOZGFKLAGUHLK-UYAOXDASSA-N 2 0 345.487 1.566 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000576335475 448029243 /nfs/dbraw/zinc/02/92/43/448029243.db2.gz ILEHXQNUJYZXMY-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000576511781 448071051 /nfs/dbraw/zinc/07/10/51/448071051.db2.gz LYPWDXFRDRWCHC-LPHOPBHVSA-N 2 0 337.483 1.592 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)C1 ZINC000501728623 448096045 /nfs/dbraw/zinc/09/60/45/448096045.db2.gz MOXHEDWQMCYZBH-ILXRZTDVSA-N 2 0 328.501 1.323 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571169306 448116987 /nfs/dbraw/zinc/11/69/87/448116987.db2.gz MQLUUJBKKGOPJE-QZTJIDSGSA-N 2 0 349.519 1.870 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000571277455 448124596 /nfs/dbraw/zinc/12/45/96/448124596.db2.gz IUYCXVPDBNUJDC-PKOBYXMFSA-N 2 0 348.487 1.825 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000526970511 448127114 /nfs/dbraw/zinc/12/71/14/448127114.db2.gz BCBLPPPSTGJVSU-MRXNPFEDSA-N 2 0 325.497 1.676 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](OC(=O)N(C)C)C2)CC1 ZINC000497024649 448132989 /nfs/dbraw/zinc/13/29/89/448132989.db2.gz DZKPWWWXKWRQJI-MRXNPFEDSA-N 2 0 326.485 1.175 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571332114 448138428 /nfs/dbraw/zinc/13/84/28/448138428.db2.gz WICXNTXZYNENAP-QGZVFWFLSA-N 2 0 333.480 1.752 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000571626099 448181058 /nfs/dbraw/zinc/18/10/58/448181058.db2.gz SPOJXRZVMXUSFQ-FUHWJXTLSA-N 2 0 338.496 1.272 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000532010738 448182668 /nfs/dbraw/zinc/18/26/68/448182668.db2.gz SUHLTYAORQWHIP-OIISXLGYSA-N 2 0 338.496 1.005 20 0 EDADRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC(C)(C)C)CC2)CC1 ZINC000577218240 448238979 /nfs/dbraw/zinc/23/89/79/448238979.db2.gz QBRUYKVFZHQQCU-UHFFFAOYSA-N 2 0 345.553 1.854 20 0 EDADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000515166091 448268223 /nfs/dbraw/zinc/26/82/23/448268223.db2.gz YKNNIRBHKCKYTB-HNNXBMFYSA-N 2 0 336.432 1.477 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2)C[C@H](C)O1 ZINC000591097609 448259881 /nfs/dbraw/zinc/25/98/81/448259881.db2.gz PCVHBSMOJMGEKF-JTDSTZFVSA-N 2 0 345.487 1.864 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000577485480 448309826 /nfs/dbraw/zinc/30/98/26/448309826.db2.gz FNNIOWPYIHEWOT-FUHWJXTLSA-N 2 0 346.475 1.835 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CO)Cc2ccco2)CC[NH2+]CC1 ZINC000515483450 448320454 /nfs/dbraw/zinc/32/04/54/448320454.db2.gz VSQLSFRQYSRKRY-HUUCEWRRSA-N 2 0 338.448 1.342 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)CC1 ZINC000572102926 448285540 /nfs/dbraw/zinc/28/55/40/448285540.db2.gz BALZSRGRQVLQBI-UHFFFAOYSA-N 2 0 347.507 1.314 20 0 EDADRP Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000582652243 448298891 /nfs/dbraw/zinc/29/88/91/448298891.db2.gz GKSZOSPISCWDDI-GOSISDBHSA-N 2 0 333.476 1.607 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000515373666 448302522 /nfs/dbraw/zinc/30/25/22/448302522.db2.gz DVUXZHGVWFUUHZ-MSOLQXFVSA-N 2 0 344.459 1.415 20 0 EDADRP COC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000591272098 448302903 /nfs/dbraw/zinc/30/29/03/448302903.db2.gz NDTSGYDENPITOM-KRWDZBQOSA-N 2 0 347.459 1.249 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCCc2cc(N)ccc21 ZINC000577606366 448340212 /nfs/dbraw/zinc/34/02/12/448340212.db2.gz DUWLPOPNEDLWJZ-GOSISDBHSA-N 2 0 347.507 1.781 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527768070 448357209 /nfs/dbraw/zinc/35/72/09/448357209.db2.gz DLOVZWXBSZTNOE-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccccc2C)C1 ZINC000582843524 448357571 /nfs/dbraw/zinc/35/75/71/448357571.db2.gz KJGDFMVKRUHKCM-SJLPKXTDSA-N 2 0 333.476 1.954 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CC[N@H+](C)C2)ccc1OCC[NH+](C)C ZINC000591447029 448366229 /nfs/dbraw/zinc/36/62/29/448366229.db2.gz TYXVXHBEKQQHOQ-OAHLLOKOSA-N 2 0 335.448 1.204 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C[C@H](C)n3ccnc3)CC2)CC1 ZINC000572249525 448326737 /nfs/dbraw/zinc/32/67/37/448326737.db2.gz OFMBSTHCSICALD-KRWDZBQOSA-N 3 0 347.507 1.853 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000572264117 448332887 /nfs/dbraw/zinc/33/28/87/448332887.db2.gz XCFXBZAWEIWOOM-HZSPNIEDSA-N 2 0 330.423 1.547 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000516263441 448405871 /nfs/dbraw/zinc/40/58/71/448405871.db2.gz OZWGECAUAYPVBC-BDXSIMOUSA-N 2 0 343.475 1.295 20 0 EDADRP CCOc1ccc([C@H](CC)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OCC ZINC000516272742 448406349 /nfs/dbraw/zinc/40/63/49/448406349.db2.gz DVFWFBDNBHPBER-INIZCTEOSA-N 2 0 349.475 1.957 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1cccnc1 ZINC000582900674 448373621 /nfs/dbraw/zinc/37/36/21/448373621.db2.gz RMEOXCFNDGLLNB-IAGOWNOFSA-N 2 0 332.448 1.378 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[NH+]1CCCCC1 ZINC000566294626 448438265 /nfs/dbraw/zinc/43/82/65/448438265.db2.gz ASRDIAJIGTZUFF-SQNIBIBYSA-N 2 0 337.508 1.852 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578080348 448456705 /nfs/dbraw/zinc/45/67/05/448456705.db2.gz UHASOMPPVGBHFK-YQFWSFKMSA-N 2 0 333.863 1.711 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000572855472 448482525 /nfs/dbraw/zinc/48/25/25/448482525.db2.gz ZQJLWOBXDYSYJU-ZIAGYGMSSA-N 2 0 336.505 1.794 20 0 EDADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000591759457 448483502 /nfs/dbraw/zinc/48/35/02/448483502.db2.gz RFRCYZRKNCKKDG-GVDBMIGSSA-N 2 0 344.459 1.462 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000566524381 448499090 /nfs/dbraw/zinc/49/90/90/448499090.db2.gz NCOLVYPFBNCQET-UHFFFAOYSA-N 2 0 345.535 1.663 20 0 EDADRP C[C@@H]1CN(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000572977449 448512789 /nfs/dbraw/zinc/51/27/89/448512789.db2.gz YLJODLQGRWOLLD-IIDMSEBBSA-N 2 0 338.496 1.208 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000578545057 448576192 /nfs/dbraw/zinc/57/61/92/448576192.db2.gz CMOGZASKESTQSZ-GJZGRUSLSA-N 2 0 344.459 1.954 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1COc2ccccc2O1 ZINC000566895557 448578546 /nfs/dbraw/zinc/57/85/46/448578546.db2.gz PWENIDYIYQDJPD-OAHLLOKOSA-N 2 0 335.448 1.168 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000584518313 448554217 /nfs/dbraw/zinc/55/42/17/448554217.db2.gz IRAQTACSRZARSQ-MRXNPFEDSA-N 2 0 330.432 1.871 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000539418090 448611353 /nfs/dbraw/zinc/61/13/53/448611353.db2.gz QHYGIMHCTOGJIC-UHFFFAOYSA-N 2 0 346.519 1.999 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000578740385 448622734 /nfs/dbraw/zinc/62/27/34/448622734.db2.gz FGQHQOJGTGXYSW-OKYOBFRVSA-N 2 0 341.540 1.557 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000578569725 448581080 /nfs/dbraw/zinc/58/10/80/448581080.db2.gz RMCOTZINJQTEHZ-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@@H](C)C1 ZINC000517495979 448586499 /nfs/dbraw/zinc/58/64/99/448586499.db2.gz XTBNLZWXVPNEPM-ROUUACIJSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000567226800 448643104 /nfs/dbraw/zinc/64/31/04/448643104.db2.gz FFLHQOJVNPHOEL-MJGOQNOKSA-N 4 0 330.520 1.958 20 0 EDADRP C[NH2+]C1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000584828640 448646005 /nfs/dbraw/zinc/64/60/05/448646005.db2.gz KCWXTLVHXNXJFW-OAHLLOKOSA-N 2 0 340.265 1.833 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540907943 448653578 /nfs/dbraw/zinc/65/35/78/448653578.db2.gz MRZSCSJQHPNEGS-JZXOWHBKSA-N 2 0 337.508 1.819 20 0 EDADRP CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000592024677 448633424 /nfs/dbraw/zinc/63/34/24/448633424.db2.gz TYZNXGRJRWNCDF-OAHLLOKOSA-N 2 0 342.553 1.940 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000541720847 448686989 /nfs/dbraw/zinc/68/69/89/448686989.db2.gz CLTANDABJQREEG-UYAOXDASSA-N 2 0 345.487 1.472 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)Cc1ccc(F)cc1 ZINC000578996007 448690037 /nfs/dbraw/zinc/69/00/37/448690037.db2.gz FXLCJPSDWDNPGE-VQIMIIECSA-N 2 0 336.451 1.820 20 0 EDADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000573799005 448715865 /nfs/dbraw/zinc/71/58/65/448715865.db2.gz UWHZGPHRWODVQV-ZWKOTPCHSA-N 2 0 330.476 1.048 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000567714661 448746707 /nfs/dbraw/zinc/74/67/07/448746707.db2.gz NKFYXSBRALJGIM-CVEARBPZSA-N 2 0 340.512 1.421 20 0 EDADRP Cc1cc(F)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000567721343 448748229 /nfs/dbraw/zinc/74/82/29/448748229.db2.gz HHXDMXSAOGAHPO-UHFFFAOYSA-N 2 0 349.447 1.387 20 0 EDADRP C[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+]1CC(C)C1 ZINC000573943399 448755046 /nfs/dbraw/zinc/75/50/46/448755046.db2.gz FATTWQGYNJZMJK-SJLPKXTDSA-N 2 0 330.476 1.702 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CCCCC1 ZINC000574149167 448801098 /nfs/dbraw/zinc/80/10/98/448801098.db2.gz PKZXQFAMSQOPEO-MRXNPFEDSA-N 2 0 333.480 1.802 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000529314004 448818263 /nfs/dbraw/zinc/81/82/63/448818263.db2.gz MGAVCGFQOAPDMU-KBAYOESNSA-N 2 0 346.475 1.327 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529319728 448820425 /nfs/dbraw/zinc/82/04/25/448820425.db2.gz CIRPICXJUXCENY-CGTJXYLNSA-N 2 0 346.475 1.185 20 0 EDADRP O=C1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H](C2CC2)N1 ZINC000568252739 448846248 /nfs/dbraw/zinc/84/62/48/448846248.db2.gz NZVODGXDNLSHAO-FIYPYCPBSA-N 2 0 341.455 1.889 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568214727 448839079 /nfs/dbraw/zinc/83/90/79/448839079.db2.gz BMRQKQWPIMKXCU-OALUTQOASA-N 2 0 347.503 1.718 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@]1(C)C[NH3+] ZINC000574426737 448872921 /nfs/dbraw/zinc/87/29/21/448872921.db2.gz LFYOFBDXYONQQF-HIDVCBRFSA-N 2 0 334.508 1.766 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000568508723 448881563 /nfs/dbraw/zinc/88/15/63/448881563.db2.gz MBKBDXHUTWURGL-ZBFHGGJFSA-N 2 0 325.416 1.466 20 0 EDADRP COc1ccc(F)cc1[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000520554019 448909249 /nfs/dbraw/zinc/90/92/49/448909249.db2.gz UEOCYXUQXDYUMC-UKRRQHHQSA-N 2 0 325.428 1.093 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000574640602 448922695 /nfs/dbraw/zinc/92/26/95/448922695.db2.gz LRFTYXQJRSKHRD-SOLBZPMBSA-N 2 0 337.508 1.866 20 0 EDADRP CSC1(C[NH2+]C[C@H](O)COc2ccccc2F)CC[NH+](C)CC1 ZINC000521032293 448948664 /nfs/dbraw/zinc/94/86/64/448948664.db2.gz CHEUCWBLDGVWAB-AWEZNQCLSA-N 2 0 342.480 1.982 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3CCC[N@H+](C)C3)n2)CC1 ZINC000580809734 448957763 /nfs/dbraw/zinc/95/77/63/448957763.db2.gz YKHCSXCKNWBSKE-CQSZACIVSA-N 2 0 334.468 1.613 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CO1 ZINC000569236485 448988087 /nfs/dbraw/zinc/98/80/87/448988087.db2.gz QAUIQZVXTJUAFX-VPEURPPWSA-N 2 0 336.480 1.116 20 0 EDADRP CC(C)C[C@@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548189871 449001527 /nfs/dbraw/zinc/00/15/27/449001527.db2.gz JLWMEWLIUQDHIS-SJORKVTESA-N 2 0 342.528 1.715 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)N2CC[NH2+]CC2)CC1 ZINC000569349596 449009684 /nfs/dbraw/zinc/00/96/84/449009684.db2.gz SZLAFXQIQPPBKF-UHFFFAOYSA-N 3 0 344.503 1.451 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592961326 449084526 /nfs/dbraw/zinc/08/45/26/449084526.db2.gz UYNZCNDEXLZAFO-HZPDHXFCSA-N 2 0 327.538 1.910 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000593731246 449165491 /nfs/dbraw/zinc/16/54/91/449165491.db2.gz VACYODIHZCSAPU-USXIJHARSA-N 2 0 333.432 1.729 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000617112231 449463704 /nfs/dbraw/zinc/46/37/04/449463704.db2.gz TXMLPKGSGKLEHU-KRWDZBQOSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000612026655 449526343 /nfs/dbraw/zinc/52/63/43/449526343.db2.gz LIGFACSASRTMTC-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)n2c1CCCC2 ZINC000598632639 449509332 /nfs/dbraw/zinc/50/93/32/449509332.db2.gz BAVZOBAEEJTBQJ-OAHLLOKOSA-N 2 0 348.491 1.337 20 0 EDADRP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000606703446 449512679 /nfs/dbraw/zinc/51/26/79/449512679.db2.gz URZWIBYRALEXDV-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000596604879 449570304 /nfs/dbraw/zinc/57/03/04/449570304.db2.gz MCUHIIALLANJHZ-HNNXBMFYSA-N 2 0 342.553 1.940 20 0 EDADRP COC(=O)c1csc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000602511178 449640266 /nfs/dbraw/zinc/64/02/66/449640266.db2.gz MUEWOOZQEXJGIJ-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000601000152 449644076 /nfs/dbraw/zinc/64/40/76/449644076.db2.gz SZTUCUBKPZVPRS-GOSISDBHSA-N 2 0 333.476 1.770 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cn[nH]c3)c2)C1 ZINC000594786706 449695970 /nfs/dbraw/zinc/69/59/70/449695970.db2.gz SGAGAIZPSFGWES-KRWDZBQOSA-N 2 0 327.432 1.397 20 0 EDADRP CCOC(=O)CCc1cc(NC[C@H]2CCCC[N@H+](C)C2)nc(C)n1 ZINC000601201440 449747622 /nfs/dbraw/zinc/74/76/22/449747622.db2.gz ORDGPASQZCWGSJ-OAHLLOKOSA-N 2 0 334.464 2.425 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000594926775 449810302 /nfs/dbraw/zinc/81/03/02/449810302.db2.gz YDTYITNRYXMRKZ-YTQUADARSA-N 2 0 345.487 1.591 20 0 EDADRP O=C(NC1CC[NH+](CCO)CC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000601329802 449837795 /nfs/dbraw/zinc/83/77/95/449837795.db2.gz IPDLRXUVTNWWSP-QGZVFWFLSA-N 2 0 338.496 1.103 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000608692693 449911640 /nfs/dbraw/zinc/91/16/40/449911640.db2.gz MZURXUXAVJEQNU-NVXWUHKLSA-N 2 0 340.512 1.469 20 0 EDADRP COC(=O)CCCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000599371899 449925686 /nfs/dbraw/zinc/92/56/86/449925686.db2.gz RODCVKGQCCNABU-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC23CC[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000612975860 449967349 /nfs/dbraw/zinc/96/73/49/449967349.db2.gz OPLIPJAVIPIGIR-BBWFWOEESA-N 2 0 328.460 1.873 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613523733 450212584 /nfs/dbraw/zinc/21/25/84/450212584.db2.gz YPOBUNBXKWAVFB-MJGOQNOKSA-N 2 0 331.460 1.049 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000625368322 450316973 /nfs/dbraw/zinc/31/69/73/450316973.db2.gz MJAQKTCEJRFCSO-MRXNPFEDSA-N 2 0 331.526 1.655 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000619897596 450365422 /nfs/dbraw/zinc/36/54/22/450365422.db2.gz CWVQHLRBENDVOA-INIZCTEOSA-N 2 0 331.464 1.048 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623403731 450515068 /nfs/dbraw/zinc/51/50/68/450515068.db2.gz GAHZWSVUCGZMBW-OAHLLOKOSA-N 2 0 333.476 1.962 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000620550858 450512968 /nfs/dbraw/zinc/51/29/68/450512968.db2.gz ATBHRTULWFVSNX-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000625865618 450524340 /nfs/dbraw/zinc/52/43/40/450524340.db2.gz UIRIMVLXLKQOIX-DLBZAZTESA-N 2 0 342.447 1.322 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000625998420 450551382 /nfs/dbraw/zinc/55/13/82/450551382.db2.gz JKJLRDMRHPDKSE-INIZCTEOSA-N 2 0 336.480 1.904 20 0 EDADRP Cc1noc([C@H]2OCC[C@H]2[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000623814214 450600574 /nfs/dbraw/zinc/60/05/74/450600574.db2.gz DCPSSAUGVURPCB-SJORKVTESA-N 2 0 346.431 1.938 20 0 EDADRP Cc1cc(Br)cn2c(C[NH2+]CCOCCC[NH3+])cnc12 ZINC000629400209 450649296 /nfs/dbraw/zinc/64/92/96/450649296.db2.gz QJAXPXSUICXNSB-UHFFFAOYSA-N 2 0 341.253 1.860 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081828 450667993 /nfs/dbraw/zinc/66/79/93/450667993.db2.gz MJBGCHLVXPTNDI-MSOLQXFVSA-N 2 0 330.476 1.963 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629542495 450729478 /nfs/dbraw/zinc/72/94/78/450729478.db2.gz ZGRCROAHQDHPOQ-ZDUSSCGKSA-N 2 0 329.466 1.464 20 0 EDADRP c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)ccn1 ZINC000629549810 450730969 /nfs/dbraw/zinc/73/09/69/450730969.db2.gz IJPQMEFFDZJTOW-INDMIFKZSA-N 2 0 330.476 1.260 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1cc2ccccc2o1 ZINC000629578679 450745870 /nfs/dbraw/zinc/74/58/70/450745870.db2.gz DAPZREFSQLDKQB-KGLIPLIRSA-N 2 0 333.432 1.906 20 0 EDADRP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590794 450752401 /nfs/dbraw/zinc/75/24/01/450752401.db2.gz OZCAXOPFYFQHLA-FUHWJXTLSA-N 2 0 339.524 1.970 20 0 EDADRP COC[C@H](C)[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629590423 450753099 /nfs/dbraw/zinc/75/30/99/450753099.db2.gz ZBHRMTMNEFJFHD-QFBILLFUSA-N 2 0 345.487 1.833 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000629610934 450761502 /nfs/dbraw/zinc/76/15/02/450761502.db2.gz QPDVYLYHAPGXLS-JLJPHGGASA-N 2 0 325.403 1.019 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821415 450798615 /nfs/dbraw/zinc/79/86/15/450798615.db2.gz XDLQOQMXIDEFNZ-BFYDXBDKSA-N 2 0 346.475 1.039 20 0 EDADRP C[N@H+](CCOCC[NH3+])C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835278 450803833 /nfs/dbraw/zinc/80/38/33/450803833.db2.gz QDRWMWDDQHBJDQ-CYBMUJFWSA-N 2 0 337.247 1.640 20 0 EDADRP COc1cc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1OCC[NH+](C)C ZINC000635463642 450963646 /nfs/dbraw/zinc/96/36/46/450963646.db2.gz BOTNJCIMUXJACH-INIZCTEOSA-N 2 0 349.475 1.594 20 0 EDADRP C[C@@H]1CN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000624793657 451004153 /nfs/dbraw/zinc/00/41/53/451004153.db2.gz PKPINWPHVKYALX-IYBDPMFKSA-N 2 0 328.501 1.421 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1cccs1 ZINC000626921226 451005078 /nfs/dbraw/zinc/00/50/78/451005078.db2.gz UZNRYRKXTATOCI-LBPRGKRZSA-N 2 0 326.466 1.158 20 0 EDADRP C[N@H+](CCCNC(=O)NC1(C[NH3+])CCOCC1)Cc1ccccc1 ZINC000626925958 451008854 /nfs/dbraw/zinc/00/88/54/451008854.db2.gz VIGUOASTDCUERK-UHFFFAOYSA-N 2 0 334.464 1.316 20 0 EDADRP [NH3+]CC1(NC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC000626933302 451015634 /nfs/dbraw/zinc/01/56/34/451015634.db2.gz SGHYEQPUQMJQPE-UHFFFAOYSA-N 2 0 346.475 1.590 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000626934038 451016654 /nfs/dbraw/zinc/01/66/54/451016654.db2.gz ALTZHNUJMJASDN-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635524911 451022765 /nfs/dbraw/zinc/02/27/65/451022765.db2.gz CNBNAXCTPLBMAP-HDICACEKSA-N 2 0 328.460 1.797 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000626943625 451023125 /nfs/dbraw/zinc/02/31/25/451023125.db2.gz NPXYGBNCFHDFLZ-WBVHZDCISA-N 2 0 346.475 1.883 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635533979 451030356 /nfs/dbraw/zinc/03/03/56/451030356.db2.gz BQQDCFVQEPLZQZ-GOSISDBHSA-N 2 0 348.535 1.491 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635535513 451031186 /nfs/dbraw/zinc/03/11/86/451031186.db2.gz HQVCGIIFHNTVTJ-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000622132993 451058519 /nfs/dbraw/zinc/05/85/19/451058519.db2.gz NAEKWIFRVIJKOY-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627000150 451065252 /nfs/dbraw/zinc/06/52/52/451065252.db2.gz KLKQFRZSTGXICG-BFYDXBDKSA-N 2 0 330.476 1.804 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)C1 ZINC000635571770 451070904 /nfs/dbraw/zinc/07/09/04/451070904.db2.gz CMUOVZWMKCSDAJ-BBWFWOEESA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000627033490 451091708 /nfs/dbraw/zinc/09/17/08/451091708.db2.gz LAKXHBVSVCKJSO-VYDXJSESSA-N 2 0 334.464 1.274 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635622545 451112475 /nfs/dbraw/zinc/11/24/75/451112475.db2.gz LGDHTTMHJQAKMW-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000628062090 451113019 /nfs/dbraw/zinc/11/30/19/451113019.db2.gz WOHJEASOEDIEIR-RBUKOAKNSA-N 2 0 346.519 1.332 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000627119533 451134366 /nfs/dbraw/zinc/13/43/66/451134366.db2.gz PTDOQGLGGOAMSQ-UTUOFQBUSA-N 2 0 334.386 1.297 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)C[N@H+](C)CC(C)(C)C)C[C@H](C)O1 ZINC000635658356 451142679 /nfs/dbraw/zinc/14/26/79/451142679.db2.gz JNWMFWYYYAJMOG-HOTGVXAUSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627199808 451182317 /nfs/dbraw/zinc/18/23/17/451182317.db2.gz DJVMIOYFPPIGNG-JKSUJKDBSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627214343 451190889 /nfs/dbraw/zinc/19/08/89/451190889.db2.gz JJVICGNJDKEYOI-QGZVFWFLSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)[C@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635723183 451199315 /nfs/dbraw/zinc/19/93/15/451199315.db2.gz ZDIZTJOJMXAXOQ-HRCADAONSA-N 2 0 325.497 1.674 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1[C@H](C)NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635743587 451213611 /nfs/dbraw/zinc/21/36/11/451213611.db2.gz JNRXVCBJAPNXRJ-BFHYXJOUSA-N 2 0 334.464 1.703 20 0 EDADRP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635750421 451218205 /nfs/dbraw/zinc/21/82/05/451218205.db2.gz RYAYZWYOPJUXNO-DLBZAZTESA-N 2 0 338.540 1.449 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638095505 451261700 /nfs/dbraw/zinc/26/17/00/451261700.db2.gz UKVIEZGEHHYHHP-MSOLQXFVSA-N 2 0 330.476 1.142 20 0 EDADRP CN(C(=O)[C@@]1(C)C[NH2+]CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638100099 451264725 /nfs/dbraw/zinc/26/47/25/451264725.db2.gz JWSHVPBTKDMLHO-LJQANCHMSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000638117835 451286929 /nfs/dbraw/zinc/28/69/29/451286929.db2.gz PDOUGQOZNDPZDN-MSOLQXFVSA-N 2 0 348.535 1.928 20 0 EDADRP CN(CCC[NH+](C)C)CCn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000630611827 451275232 /nfs/dbraw/zinc/27/52/32/451275232.db2.gz LBQPTRHGECRLPP-SFHVURJKSA-N 2 0 330.480 1.404 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638109942 451276282 /nfs/dbraw/zinc/27/62/82/451276282.db2.gz XWJWFNBBSPEVJD-WMZOPIPTSA-N 2 0 335.448 1.723 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000638111108 451278376 /nfs/dbraw/zinc/27/83/76/451278376.db2.gz BZTCDHGPOUWRAE-AEFFLSMTSA-N 2 0 335.448 1.723 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634298096 451283617 /nfs/dbraw/zinc/28/36/17/451283617.db2.gz LQFRYNCCRQDMBM-MRXNPFEDSA-N 3 0 327.517 1.044 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+]1CCC(C)CC1 ZINC000636550767 451291367 /nfs/dbraw/zinc/29/13/67/451291367.db2.gz FOZOWDVPHUSTQL-DLBZAZTESA-N 2 0 340.512 1.109 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000635853545 451300579 /nfs/dbraw/zinc/30/05/79/451300579.db2.gz IQDMSXHFOMHZAS-OALUTQOASA-N 2 0 345.487 1.878 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000636580283 451321009 /nfs/dbraw/zinc/32/10/09/451321009.db2.gz BKQUNUSFPBTJQO-CQSZACIVSA-N 2 0 346.479 1.756 20 0 EDADRP C[N@H+](CC(=O)N1CCCN(c2cc[nH+]cc2)CC1)[C@H]1CCSC1 ZINC000640445102 451321180 /nfs/dbraw/zinc/32/11/80/451321180.db2.gz FFZCPJNHAXRETM-INIZCTEOSA-N 2 0 334.489 1.558 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638158823 451328738 /nfs/dbraw/zinc/32/87/38/451328738.db2.gz MAHAWCAJUTZNGT-QWHCGFSZSA-N 2 0 345.447 1.126 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630722869 451362768 /nfs/dbraw/zinc/36/27/68/451362768.db2.gz GFIDEIXVHSPCAQ-UHFFFAOYSA-N 2 0 345.447 1.767 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269512 451389548 /nfs/dbraw/zinc/38/95/48/451389548.db2.gz PUVWHQXHFANQGI-JSGCOSHPSA-N 2 0 345.447 1.161 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533017 451383595 /nfs/dbraw/zinc/38/35/95/451383595.db2.gz ZNYHSSMWNSPUCR-DLBZAZTESA-N 2 0 325.497 1.868 20 0 EDADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCOCC1 ZINC000638184629 451344614 /nfs/dbraw/zinc/34/46/14/451344614.db2.gz ZGEMSGFGURBNSP-WNRNVDISSA-N 2 0 326.481 1.612 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288423 451404643 /nfs/dbraw/zinc/40/46/43/451404643.db2.gz PZQKKDQLSMKHQB-ACBHZAAOSA-N 2 0 344.503 1.579 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000638304324 451418490 /nfs/dbraw/zinc/41/84/90/451418490.db2.gz FMZBOSTYHTTWEF-DKSSEZFCSA-N 2 0 346.475 1.490 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638328494 451437457 /nfs/dbraw/zinc/43/74/57/451437457.db2.gz JMBRZNVXWLXZPB-GBESFXJTSA-N 2 0 344.503 1.436 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638349948 451451517 /nfs/dbraw/zinc/45/15/17/451451517.db2.gz XCRSPRTWTVMAJN-UHFFFAOYSA-N 2 0 328.407 1.359 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000638356984 451457776 /nfs/dbraw/zinc/45/77/76/451457776.db2.gz SDRYDTZUCFNYLC-ZDUSSCGKSA-N 2 0 333.480 1.581 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000638357637 451458774 /nfs/dbraw/zinc/45/87/74/451458774.db2.gz SULCODHIIWMNRR-CFVWQIKISA-N 2 0 333.476 1.751 20 0 EDADRP CCNC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638363487 451461680 /nfs/dbraw/zinc/46/16/80/451461680.db2.gz NEIWQSUUCLBGRQ-UHFFFAOYSA-N 2 0 333.476 1.761 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638369019 451466449 /nfs/dbraw/zinc/46/64/49/451466449.db2.gz DFJYQCOOCAJNGO-CVEARBPZSA-N 2 0 332.492 1.612 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638371187 451468642 /nfs/dbraw/zinc/46/86/42/451468642.db2.gz QMCNWJLHTVWOTA-NVXWUHKLSA-N 2 0 345.491 1.370 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](OC)[C@@H]3CCOC3)cn2)CC1 ZINC000638373929 451469696 /nfs/dbraw/zinc/46/96/96/451469696.db2.gz WOONQYIVENNKAZ-QZTJIDSGSA-N 2 0 348.491 1.365 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000638373883 451469854 /nfs/dbraw/zinc/46/98/54/451469854.db2.gz VJEVZKAKAZKIAL-MOPGFXCFSA-N 2 0 339.439 1.650 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@]2(COC)CCCC[NH2+]2)CCN1CCOC ZINC000638376472 451471868 /nfs/dbraw/zinc/47/18/68/451471868.db2.gz AWFLWVDNWDXBMH-SJLPKXTDSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@@](O)(C[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000634709552 451487809 /nfs/dbraw/zinc/48/78/09/451487809.db2.gz KUDSFDXVXFNFCB-RTBURBONSA-N 2 0 333.476 1.800 20 0 EDADRP O=C(N1CCC([N@@H+]2CCCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000636022040 451443269 /nfs/dbraw/zinc/44/32/69/451443269.db2.gz NYUNJDPEUUERNT-UHFFFAOYSA-N 2 0 335.492 1.576 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000636782302 451503859 /nfs/dbraw/zinc/50/38/59/451503859.db2.gz RDSGTPZGMASCTO-RDJZCZTQSA-N 2 0 348.491 1.482 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000634740896 451519355 /nfs/dbraw/zinc/51/93/55/451519355.db2.gz LYNOAGJSOWVZLI-YSIASYRMSA-N 2 0 327.472 1.967 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]Cc3cc4c(cn3)OCCO4)CC2)CC1 ZINC000638458143 451525107 /nfs/dbraw/zinc/52/51/07/451525107.db2.gz AZJDWHWRERMCNX-UHFFFAOYSA-N 2 0 346.475 1.501 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](OC)C2CCOCC2)CC1 ZINC000638551478 451573108 /nfs/dbraw/zinc/57/31/08/451573108.db2.gz KZDIHJIPWXIJOD-FUHWJXTLSA-N 2 0 327.513 1.291 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC[C@@H]1C(F)(F)F ZINC000638561017 451577444 /nfs/dbraw/zinc/57/74/44/451577444.db2.gz FTHUVKTWEIIIRE-QWRGUYRKSA-N 2 0 347.406 1.993 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638559325 451577120 /nfs/dbraw/zinc/57/71/20/451577120.db2.gz PTAGFQAZNUCHLR-YUTCNCBUSA-N 2 0 329.366 1.981 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000636207591 451584772 /nfs/dbraw/zinc/58/47/72/451584772.db2.gz ICBMEMXNJSATDU-XNJGSVPQSA-N 2 0 346.475 1.629 20 0 EDADRP C[NH2+]CCOCCNC(=O)[C@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000638578542 451587577 /nfs/dbraw/zinc/58/75/77/451587577.db2.gz NMNWFYCJQXBZRU-KRWDZBQOSA-N 2 0 347.503 1.682 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634954127 451621952 /nfs/dbraw/zinc/62/19/52/451621952.db2.gz ULVNLRUPDGWZBU-INIZCTEOSA-N 2 0 340.489 1.684 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000638639797 451625337 /nfs/dbraw/zinc/62/53/37/451625337.db2.gz NLVXCQLADXWDPC-WMZOPIPTSA-N 2 0 344.503 1.627 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1 ZINC000634961074 451625716 /nfs/dbraw/zinc/62/57/16/451625716.db2.gz KDBCFAAIHZGJOT-QGZVFWFLSA-N 2 0 331.460 1.920 20 0 EDADRP Cc1nc(N)nc(NCC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000631177852 451626692 /nfs/dbraw/zinc/62/66/92/451626692.db2.gz ATECFDXTLIWYOY-BBRMVZONSA-N 2 0 326.448 1.897 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638877912 451717064 /nfs/dbraw/zinc/71/70/64/451717064.db2.gz ROIPWIXJFJRSRB-UHFFFAOYSA-N 2 0 328.407 1.359 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000638880327 451717799 /nfs/dbraw/zinc/71/77/99/451717799.db2.gz ORLFACKIFQPUBS-SJLPKXTDSA-N 2 0 327.428 1.771 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638779281 451687815 /nfs/dbraw/zinc/68/78/15/451687815.db2.gz JDDHHYQTWMNBEX-XSLAGTTESA-N 2 0 335.492 1.524 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000638880330 451718153 /nfs/dbraw/zinc/71/81/53/451718153.db2.gz ORLFACKIFQPUBS-WMZOPIPTSA-N 2 0 327.428 1.771 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000638835335 451705673 /nfs/dbraw/zinc/70/56/73/451705673.db2.gz KSPJINYXWKTNGT-SNPRPXQTSA-N 2 0 325.403 1.853 20 0 EDADRP COCC[NH2+]CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851517 451710487 /nfs/dbraw/zinc/71/04/87/451710487.db2.gz NJFVGYMTUSXYGE-SFHVURJKSA-N 2 0 333.476 1.783 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000638862402 451713823 /nfs/dbraw/zinc/71/38/23/451713823.db2.gz VFELFAQYJCGFMZ-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000638727044 451667653 /nfs/dbraw/zinc/66/76/53/451667653.db2.gz DAOYVYVDBBXMTQ-DLBZAZTESA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000638877755 451716845 /nfs/dbraw/zinc/71/68/45/451716845.db2.gz OLRFLRGKRXGDGU-GOSISDBHSA-N 2 0 332.492 1.090 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000632962107 451671271 /nfs/dbraw/zinc/67/12/71/451671271.db2.gz XHHASKLPNMIBDR-SOUVJXGZSA-N 2 0 346.479 1.659 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000638977271 451744086 /nfs/dbraw/zinc/74/40/86/451744086.db2.gz QICXXBBXZZOSKN-ATZDWAIDSA-N 2 0 345.487 1.790 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000639176928 451786417 /nfs/dbraw/zinc/78/64/17/451786417.db2.gz MTOWYWLMWHCEPP-MRXNPFEDSA-N 2 0 337.489 1.498 20 0 EDADRP COCCOC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCOCC1 ZINC000639220172 451794238 /nfs/dbraw/zinc/79/42/38/451794238.db2.gz UQQWKWVEVKODTA-UHFFFAOYSA-N 2 0 344.496 1.024 20 0 EDADRP COc1ncc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)s1 ZINC000639262624 451801136 /nfs/dbraw/zinc/80/11/36/451801136.db2.gz ZZIQBNNCEUDOMZ-UHFFFAOYSA-N 2 0 340.493 1.038 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000642030495 451808429 /nfs/dbraw/zinc/80/84/29/451808429.db2.gz QOKYTDWAHKCAAS-HSFUPAIVSA-N 2 0 334.508 1.796 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc4c(cn3)OCCO4)c2)CC1 ZINC000639382804 451859022 /nfs/dbraw/zinc/85/90/22/451859022.db2.gz YAYNGVKBWWMKGY-UHFFFAOYSA-N 2 0 341.415 1.612 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000644580265 451874529 /nfs/dbraw/zinc/87/45/29/451874529.db2.gz NNAQINHILQHEAO-DZGCQCFKSA-N 2 0 327.419 1.266 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639451616 451874855 /nfs/dbraw/zinc/87/48/55/451874855.db2.gz FLNLMECWDAUKMI-KRWDZBQOSA-N 2 0 328.497 1.333 20 0 EDADRP O[C@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639469742 451881560 /nfs/dbraw/zinc/88/15/60/451881560.db2.gz ACWWOYBHWVBPGQ-PMACEKPBSA-N 2 0 329.488 1.794 20 0 EDADRP CC[NH+]1CCC[C@H]1CNc1nccnc1NC[C@@H]1CCC[N@H+]1CC ZINC000649223588 451914821 /nfs/dbraw/zinc/91/48/21/451914821.db2.gz RGEHYOHCCFSLJT-HOTGVXAUSA-N 2 0 332.496 1.113 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000646928324 451944525 /nfs/dbraw/zinc/94/45/25/451944525.db2.gz XKUFHCQGBJHWHH-RTBURBONSA-N 2 0 342.487 1.210 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2([NH3+])CCN(C(C)=O)C2)cc1 ZINC000649281621 451953741 /nfs/dbraw/zinc/95/37/41/451953741.db2.gz XGCPJNPFHHDUSS-LJQANCHMSA-N 2 0 346.475 1.094 20 0 EDADRP C[N@H+](CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000649281496 451953938 /nfs/dbraw/zinc/95/39/38/451953938.db2.gz NMEYJPHEMLVWIC-OAHLLOKOSA-N 2 0 325.403 1.870 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@@H]3CCCCN3C2=O)cc1 ZINC000651607666 451956388 /nfs/dbraw/zinc/95/63/88/451956388.db2.gz KFTOHDSYGCLMHV-FUHWJXTLSA-N 2 0 331.460 1.870 20 0 EDADRP CC[C@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000649292854 451968571 /nfs/dbraw/zinc/96/85/71/451968571.db2.gz GWZLECCFGYEDBR-UYAOXDASSA-N 2 0 345.487 1.708 20 0 EDADRP CC1(OCC(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)C[NH2+]C1 ZINC000649293655 451968849 /nfs/dbraw/zinc/96/88/49/451968849.db2.gz CHFGNXWEXLGMAE-QGZVFWFLSA-N 2 0 331.460 1.708 20 0 EDADRP C[N@@H+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000649308942 451986909 /nfs/dbraw/zinc/98/69/09/451986909.db2.gz JCWGREDGNGPANE-PBHICJAKSA-N 2 0 336.505 1.109 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646990020 451989700 /nfs/dbraw/zinc/98/97/00/451989700.db2.gz GFNUJKIARNDALX-KRWDZBQOSA-N 2 0 325.416 1.341 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000649312852 451991387 /nfs/dbraw/zinc/99/13/87/451991387.db2.gz DCLFRWCADNQIIL-GOSISDBHSA-N 2 0 348.516 1.249 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[NH2+]CCOC1 ZINC000649315856 451994732 /nfs/dbraw/zinc/99/47/32/451994732.db2.gz UMBGZGHUFOTKIT-KRWDZBQOSA-N 2 0 347.459 1.065 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000649320077 451998012 /nfs/dbraw/zinc/99/80/12/451998012.db2.gz NOYORVLHPUJZFC-PKOBYXMFSA-N 2 0 345.487 1.635 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000637651633 451999108 /nfs/dbraw/zinc/99/91/08/451999108.db2.gz MBHOOZDUXCHSIZ-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[N@H+](C)Cc1ccccc1 ZINC000649332315 452013367 /nfs/dbraw/zinc/01/33/67/452013367.db2.gz RRQOVMFEVREVNG-GOEBONIOSA-N 2 0 342.447 1.063 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@H]1C ZINC000653563321 452018276 /nfs/dbraw/zinc/01/82/76/452018276.db2.gz GOXIDBPJISHVHW-QUCCMNQESA-N 2 0 349.519 1.522 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000649344148 452024005 /nfs/dbraw/zinc/02/40/05/452024005.db2.gz AFFVKDOMDUIZFD-UHFFFAOYSA-N 2 0 325.497 1.903 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083857 452051367 /nfs/dbraw/zinc/05/13/67/452051367.db2.gz YYBPBJJKTCXAEW-ZIAGYGMSSA-N 2 0 344.381 1.690 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)[C@H](C)C1 ZINC000649381279 452053568 /nfs/dbraw/zinc/05/35/68/452053568.db2.gz YQJCGSOVFAMDBB-CVEARBPZSA-N 2 0 341.496 1.008 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2[nH]ccc21 ZINC000637758068 452060061 /nfs/dbraw/zinc/06/00/61/452060061.db2.gz DLQSHJBLQXJANR-UHFFFAOYSA-N 2 0 331.464 1.803 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000643210152 452072792 /nfs/dbraw/zinc/07/27/92/452072792.db2.gz OVKIEPRYKFDBEA-IRXDYDNUSA-N 2 0 339.528 1.137 20 0 EDADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000649414127 452075671 /nfs/dbraw/zinc/07/56/71/452075671.db2.gz GTROEBNVZOVLBH-QGZVFWFLSA-N 2 0 330.476 1.539 20 0 EDADRP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000649414420 452075886 /nfs/dbraw/zinc/07/58/86/452075886.db2.gz YYXHCLGZAXIRFH-FHWLQOOXSA-N 2 0 328.460 1.796 20 0 EDADRP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000649416865 452079550 /nfs/dbraw/zinc/07/95/50/452079550.db2.gz OEBDWBZOHFEYEV-SJORKVTESA-N 2 0 345.491 1.180 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000649421092 452083332 /nfs/dbraw/zinc/08/33/32/452083332.db2.gz CPSJLTKYKRRGJP-LJQANCHMSA-N 2 0 342.487 1.288 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637808858 452093859 /nfs/dbraw/zinc/09/38/59/452093859.db2.gz HCSWXVVKJQTTQS-GOSISDBHSA-N 2 0 326.444 1.804 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000639757561 452095855 /nfs/dbraw/zinc/09/58/55/452095855.db2.gz HVFPFQYZKZKGDR-OAHLLOKOSA-N 2 0 329.510 1.076 20 0 EDADRP O=C(NCC[NH2+]C1CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827409 452103966 /nfs/dbraw/zinc/10/39/66/452103966.db2.gz FWRCWMHUVCSXDX-QUCCMNQESA-N 2 0 343.471 1.393 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CO1 ZINC000647181853 452110631 /nfs/dbraw/zinc/11/06/31/452110631.db2.gz VYYOWULBZVIJAK-OLMNPRSZSA-N 2 0 331.460 1.651 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCCC[C@@H]1CO)c1ccccc1 ZINC000653783486 452114162 /nfs/dbraw/zinc/11/41/62/452114162.db2.gz LXLSMHTUHDTXIQ-MSOLQXFVSA-N 2 0 333.476 1.642 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637850730 452115215 /nfs/dbraw/zinc/11/52/15/452115215.db2.gz BYRBDPRQLCNZTL-SFHVURJKSA-N 2 0 347.463 1.407 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000637881887 452135103 /nfs/dbraw/zinc/13/51/03/452135103.db2.gz RXCYWQSPTAZJCN-GOSISDBHSA-N 2 0 346.519 1.826 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639881208 452216781 /nfs/dbraw/zinc/21/67/81/452216781.db2.gz VAAVAOPTYJBWEK-IRXDYDNUSA-N 2 0 327.513 1.263 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462977 452235330 /nfs/dbraw/zinc/23/53/30/452235330.db2.gz VFVMNIAJDCYXLF-ATVPRXPUSA-N 2 0 325.403 1.885 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCC(F)(F)F ZINC000647493102 452236907 /nfs/dbraw/zinc/23/69/07/452236907.db2.gz UPNFKFBGGJDOBP-UHFFFAOYSA-N 2 0 331.382 1.965 20 0 EDADRP Cc1cccc(CN2CCN(C(=O)CN[C@H]3C[C@@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802372 452277930 /nfs/dbraw/zinc/27/79/30/452277930.db2.gz JQYDCYILCPTMBA-MSOLQXFVSA-N 3 0 344.503 1.355 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1CCO ZINC000661497401 452297709 /nfs/dbraw/zinc/29/77/09/452297709.db2.gz IVVUNPCOZOPKOR-NZSAHSFTSA-N 2 0 347.503 1.888 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659451980 452302943 /nfs/dbraw/zinc/30/29/43/452302943.db2.gz WPUUWXZSPYLZAN-UHFFFAOYSA-N 2 0 346.475 1.221 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1 ZINC000659459470 452312882 /nfs/dbraw/zinc/31/28/82/452312882.db2.gz YURZTIODTOXSAB-IAGOWNOFSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652120272 452316637 /nfs/dbraw/zinc/31/66/37/452316637.db2.gz DWXCARHWFPLMIU-INIZCTEOSA-N 2 0 326.485 1.032 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000652123861 452318788 /nfs/dbraw/zinc/31/87/88/452318788.db2.gz CNHYNZYWRBQWRH-IYBDPMFKSA-N 2 0 348.491 1.705 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[NH+]1CCCC1 ZINC000638050253 452320920 /nfs/dbraw/zinc/32/09/20/452320920.db2.gz MSMZIZMFXFCATH-VQIMIIECSA-N 2 0 347.459 1.327 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652138695 452331569 /nfs/dbraw/zinc/33/15/69/452331569.db2.gz NCQASHQZHWPAKD-DMRKSPOLSA-N 2 0 340.512 1.358 20 0 EDADRP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659478678 452339327 /nfs/dbraw/zinc/33/93/27/452339327.db2.gz DBNCOSGHYJOUCL-OCVGTWLNSA-N 2 0 326.460 1.720 20 0 EDADRP Cc1cc(C)n2c(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cnc2n1 ZINC000657574333 452342344 /nfs/dbraw/zinc/34/23/44/452342344.db2.gz WLAWGVIYRHWUFN-HNNXBMFYSA-N 2 0 332.496 1.708 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652150482 452343480 /nfs/dbraw/zinc/34/34/80/452343480.db2.gz YADWIDKQUXCUMV-OAHLLOKOSA-N 2 0 338.427 1.194 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638059575 452349306 /nfs/dbraw/zinc/34/93/06/452349306.db2.gz NISKFPACBWGZHT-IBGZPJMESA-N 2 0 346.519 1.777 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000638059860 452352102 /nfs/dbraw/zinc/35/21/02/452352102.db2.gz OJWHXXDANBFKLH-LJQANCHMSA-N 2 0 341.455 1.943 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638064871 452363991 /nfs/dbraw/zinc/36/39/91/452363991.db2.gz PEJVBENGKDKKIV-STEAMIEHSA-N 2 0 345.487 1.897 20 0 EDADRP COC[C@@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCCC[NH2+]1 ZINC000638068138 452371413 /nfs/dbraw/zinc/37/14/13/452371413.db2.gz VKCLNEYEZLXTTH-SJLPKXTDSA-N 2 0 325.497 1.916 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)Cc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000638068644 452374093 /nfs/dbraw/zinc/37/40/93/452374093.db2.gz JQIIJMIRBTXLNF-GOSISDBHSA-N 2 0 333.501 1.428 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CCC[NH2+]C1 ZINC000659511480 452375438 /nfs/dbraw/zinc/37/54/38/452375438.db2.gz QGWVFXQWZHBTMQ-MSOLQXFVSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075396 452385758 /nfs/dbraw/zinc/38/57/58/452385758.db2.gz QVMMECHEGXJXBH-WMZOPIPTSA-N 2 0 332.492 1.294 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659522564 452387090 /nfs/dbraw/zinc/38/70/90/452387090.db2.gz MMZQELVWNONIQW-GVDBMIGSSA-N 2 0 336.455 1.944 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659536650 452396053 /nfs/dbraw/zinc/39/60/53/452396053.db2.gz ISETVADXQFUWPX-CRAIPNDOSA-N 2 0 345.491 1.591 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000659542367 452402003 /nfs/dbraw/zinc/40/20/03/452402003.db2.gz NFTROFAEDSDVSW-SJLPKXTDSA-N 2 0 338.496 1.176 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000659547869 452406345 /nfs/dbraw/zinc/40/63/45/452406345.db2.gz FIYFPUGKZCNDRA-OQUILHJVSA-N 2 0 334.464 1.566 20 0 EDADRP C[C@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1(=O)=O ZINC000657635899 452409111 /nfs/dbraw/zinc/40/91/11/452409111.db2.gz AHIRTTKIXRLOLR-HOCLYGCPSA-N 2 0 340.489 1.682 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCC[C@@H]3CCC[NH2+]3)C2)C1 ZINC000652221915 452415565 /nfs/dbraw/zinc/41/55/65/452415565.db2.gz AEEHTDLVWDPGTA-NCOADZHNSA-N 2 0 338.496 1.447 20 0 EDADRP CC[N@H+](CCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652227703 452419214 /nfs/dbraw/zinc/41/92/14/452419214.db2.gz MUTSDRHLKXKPBJ-DOTOQJQBSA-N 2 0 340.512 1.789 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575833 452430530 /nfs/dbraw/zinc/43/05/30/452430530.db2.gz CFBHTUXZHPZVRJ-CGTJXYLNSA-N 2 0 330.476 1.773 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000659581041 452437348 /nfs/dbraw/zinc/43/73/48/452437348.db2.gz HYZIZMZJWJBVNV-AETAKHFUSA-N 2 0 348.466 1.898 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[NH+](C)C)cc1 ZINC000659587499 452443594 /nfs/dbraw/zinc/44/35/94/452443594.db2.gz ILXWMEIHNWZPIZ-IRXDYDNUSA-N 2 0 334.464 1.392 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000659589677 452445969 /nfs/dbraw/zinc/44/59/69/452445969.db2.gz WWVFRMUBZBXFBI-WCZJQEMASA-N 2 0 346.475 1.519 20 0 EDADRP C[NH+](CCc1ccccc1)[C@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000661639741 452457884 /nfs/dbraw/zinc/45/78/84/452457884.db2.gz OJTFBQPJLUJLFB-VQTJNVASSA-N 2 0 331.504 1.690 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000652345386 452517133 /nfs/dbraw/zinc/51/71/33/452517133.db2.gz AWVZDFIMMRHUIX-BBWFWOEESA-N 2 0 325.497 1.850 20 0 EDADRP c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647784580 452520486 /nfs/dbraw/zinc/52/04/86/452520486.db2.gz ZCJNQAYYXIMABZ-DOIPELPJSA-N 2 0 343.515 1.908 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345449 452520630 /nfs/dbraw/zinc/52/06/30/452520630.db2.gz CCXHXKJNYIYFCW-ADHGMGHFSA-N 2 0 337.508 1.994 20 0 EDADRP c1ccc(-c2ccc(NCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)nn2)cc1 ZINC000647788064 452522027 /nfs/dbraw/zinc/52/20/27/452522027.db2.gz BUHFOXIGSWGBPB-OKZBNKHCSA-N 2 0 337.471 2.533 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347070 452521931 /nfs/dbraw/zinc/52/19/31/452521931.db2.gz QCPWROAYEGJPCH-CAOSSQGBSA-N 2 0 325.497 1.898 20 0 EDADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788546 452522248 /nfs/dbraw/zinc/52/22/48/452522248.db2.gz LUZNJPXXUWSWOK-HRCADAONSA-N 2 0 348.491 1.609 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCn3ccnc32)CC1 ZINC000655721615 452536895 /nfs/dbraw/zinc/53/68/95/452536895.db2.gz QQDRSWKDIAOIMW-INIZCTEOSA-N 2 0 347.507 1.934 20 0 EDADRP C[N@H+](CCCc1nc(-c2ccccc2)no1)CCN1CC[NH2+]CC1 ZINC000647835238 452570468 /nfs/dbraw/zinc/57/04/68/452570468.db2.gz RTTQXDQKLNMYMR-UHFFFAOYSA-N 2 0 329.448 1.506 20 0 EDADRP C[C@@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CS1 ZINC000655775998 452571427 /nfs/dbraw/zinc/57/14/27/452571427.db2.gz GDUZWSHKNNMPMM-HZPDHXFCSA-N 2 0 327.538 1.657 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000640293844 452589228 /nfs/dbraw/zinc/58/92/28/452589228.db2.gz BRNKVENAVGAUMB-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721493 452613091 /nfs/dbraw/zinc/61/30/91/452613091.db2.gz GWJXMRYJHROKJN-CABCVRRESA-N 2 0 338.496 1.143 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000645621507 452615581 /nfs/dbraw/zinc/61/55/81/452615581.db2.gz FYWUHXQHFZSMNE-RDJZCZTQSA-N 2 0 344.459 1.158 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000652427410 452619923 /nfs/dbraw/zinc/61/99/23/452619923.db2.gz UFBHYJNFGGQMFU-KURKYZTESA-N 2 0 337.508 1.674 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(F)(F)F ZINC000655911948 452668654 /nfs/dbraw/zinc/66/86/54/452668654.db2.gz PIWHPVAMUNXOTI-CYBMUJFWSA-N 2 0 345.369 1.235 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000658001883 452674342 /nfs/dbraw/zinc/67/43/42/452674342.db2.gz HIPFXKMIMKPABS-KRWDZBQOSA-N 2 0 327.513 1.434 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC[N@@H+]1CCOC ZINC000655921653 452684782 /nfs/dbraw/zinc/68/47/82/452684782.db2.gz MSEUAJUQTPMTMZ-VXGBXAGGSA-N 2 0 340.390 1.018 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924873 452691903 /nfs/dbraw/zinc/69/19/03/452691903.db2.gz SCXBPUBKZFRGER-KWCYVHTRSA-N 2 0 344.381 1.696 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655927998 452696589 /nfs/dbraw/zinc/69/65/89/452696589.db2.gz JWIRAJXIXWYWOU-LBPRGKRZSA-N 2 0 336.358 1.633 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947516 452701910 /nfs/dbraw/zinc/70/19/10/452701910.db2.gz IRWBNPTUVXNHHL-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953139 452716469 /nfs/dbraw/zinc/71/64/69/452716469.db2.gz MGJCHECHZGVHNL-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1=O ZINC000647978410 452722582 /nfs/dbraw/zinc/72/25/82/452722582.db2.gz RKQGULRBIQLRLZ-HUUCEWRRSA-N 2 0 336.480 1.419 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139081 452746972 /nfs/dbraw/zinc/74/69/72/452746972.db2.gz KRYDLRYQTXCSSY-UIAACRFSSA-N 3 0 329.488 1.826 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000659878538 452755055 /nfs/dbraw/zinc/75/50/55/452755055.db2.gz LUWRNBCNICBSMR-ROUUACIJSA-N 2 0 338.540 1.450 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664092787 452784073 /nfs/dbraw/zinc/78/40/73/452784073.db2.gz BGAJRRVSBCHGPJ-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CCN(C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000658356790 452861405 /nfs/dbraw/zinc/86/14/05/452861405.db2.gz MGLNIDJPFUELNS-KRWDZBQOSA-N 2 0 346.475 1.282 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648160971 452869206 /nfs/dbraw/zinc/86/92/06/452869206.db2.gz HIETYKUUPAQMGH-UHFFFAOYSA-N 2 0 331.460 1.146 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648163008 452872377 /nfs/dbraw/zinc/87/23/77/452872377.db2.gz PKJNDICNYIHQOC-UHFFFAOYSA-N 2 0 345.487 1.442 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CCN2CCOCC2)CC2CC2)CC[N@@H+]1C ZINC000664215689 452889477 /nfs/dbraw/zinc/88/94/77/452889477.db2.gz CNKMVUAZSGGYAQ-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000648179014 452892494 /nfs/dbraw/zinc/89/24/94/452892494.db2.gz LKBMIPJXQPGUPC-RYRKJORJSA-N 2 0 335.423 1.238 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648185971 452896969 /nfs/dbraw/zinc/89/69/69/452896969.db2.gz KPRLZQYHCYJQBI-ZBFHGGJFSA-N 2 0 326.444 1.829 20 0 EDADRP O=C(C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)N1CCOCC1 ZINC000662249097 452972407 /nfs/dbraw/zinc/97/24/07/452972407.db2.gz OUZGYUWZPHNBMF-UHFFFAOYSA-N 2 0 343.471 1.403 20 0 EDADRP COCCCNC(=O)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662252410 452978992 /nfs/dbraw/zinc/97/89/92/452978992.db2.gz LDTDYGGGXVWZLQ-UHFFFAOYSA-N 2 0 345.487 1.697 20 0 EDADRP CO[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266358 452997268 /nfs/dbraw/zinc/99/72/68/452997268.db2.gz WREWMPKANMBEOO-KBAYOESNSA-N 2 0 337.508 1.772 20 0 EDADRP CN(CC1C[NH+](C)C1)c1ncc(Cl)c(N(C)CC2C[NH+](C)C2)n1 ZINC000664330141 453003783 /nfs/dbraw/zinc/00/37/83/453003783.db2.gz JNPXZXDGZXGDMZ-UHFFFAOYSA-N 2 0 338.887 1.126 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000662282376 453007253 /nfs/dbraw/zinc/00/72/53/453007253.db2.gz UGQHDFZEQFMHCB-HOCLYGCPSA-N 2 0 336.484 1.189 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C[C@H]2CC2(C)C)C1 ZINC000662348361 453063926 /nfs/dbraw/zinc/06/39/26/453063926.db2.gz QMEJDCDPFYCHRG-HZPDHXFCSA-N 2 0 325.497 1.437 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C[NH+]1CCCCC1 ZINC000666693942 453071408 /nfs/dbraw/zinc/07/14/08/453071408.db2.gz LZCVDZJIGMWZDY-CQSZACIVSA-N 2 0 332.448 1.322 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664410258 453072031 /nfs/dbraw/zinc/07/20/31/453072031.db2.gz UGDCMSNSQNNJHO-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP CC(=O)N1CCN(C[C@@H](O)C[N@@H+](C)C(C)C)CC12CCCCC2 ZINC000660152390 453084839 /nfs/dbraw/zinc/08/48/39/453084839.db2.gz AQFREPGNMOQTRE-KRWDZBQOSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000660164000 453095759 /nfs/dbraw/zinc/09/57/59/453095759.db2.gz FBHWCXFFFRSOAN-QZTJIDSGSA-N 2 0 339.524 1.123 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)N1CCc3ccccc31)CCO2 ZINC000646103395 453103905 /nfs/dbraw/zinc/10/39/05/453103905.db2.gz FBMPNVIJNAQQMU-UHFFFAOYSA-N 2 0 343.471 1.762 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000655011659 453132053 /nfs/dbraw/zinc/13/20/53/453132053.db2.gz DWESHHPJJDOZQM-PXNSSMCTSA-N 2 0 345.487 1.424 20 0 EDADRP CC(C)([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662424707 453133374 /nfs/dbraw/zinc/13/33/74/453133374.db2.gz YAZJYVDURWDIDE-SFHVURJKSA-N 2 0 341.455 1.989 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662454539 453162204 /nfs/dbraw/zinc/16/22/04/453162204.db2.gz BTABSCQDTDBBQB-SJORKVTESA-N 2 0 330.476 1.041 20 0 EDADRP CCN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000664537060 453175373 /nfs/dbraw/zinc/17/53/73/453175373.db2.gz FPVYKASVHKXIQO-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@H]21 ZINC000662502070 453218574 /nfs/dbraw/zinc/21/85/74/453218574.db2.gz HNQBXEDNMNJQNG-GOEBONIOSA-N 2 0 332.448 1.698 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000648731761 453219530 /nfs/dbraw/zinc/21/95/30/453219530.db2.gz NOSAYUTZGOFAOK-CZUORRHYSA-N 2 0 332.448 1.257 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000662513620 453231634 /nfs/dbraw/zinc/23/16/34/453231634.db2.gz BKNZPVKVURYLSD-UHFFFAOYSA-N 2 0 330.388 1.731 20 0 EDADRP C[NH+](C)CCNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662518006 453236503 /nfs/dbraw/zinc/23/65/03/453236503.db2.gz YOOXRYRLKPTJHU-IBGZPJMESA-N 2 0 341.455 1.813 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)ccc1C[NH+](C)C ZINC000662517532 453237152 /nfs/dbraw/zinc/23/71/52/453237152.db2.gz IQWIGTJICZOLST-MRXNPFEDSA-N 2 0 332.448 1.206 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662526570 453247277 /nfs/dbraw/zinc/24/72/77/453247277.db2.gz HYRSRGBXEULDOD-QKPAOTATSA-N 2 0 345.491 1.964 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666970058 453286262 /nfs/dbraw/zinc/28/62/62/453286262.db2.gz JFPOICXPPXDRRK-QGZVFWFLSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666970132 453286382 /nfs/dbraw/zinc/28/63/82/453286382.db2.gz KTTXWDYSJUSMLN-KRWDZBQOSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112966 453298816 /nfs/dbraw/zinc/29/88/16/453298816.db2.gz OEYHSKOEYSKUCT-IRXDYDNUSA-N 2 0 331.460 1.774 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1Cc1ccccc1 ZINC000653117730 453307454 /nfs/dbraw/zinc/30/74/54/453307454.db2.gz UQMPAOINISKQSC-HYJFEMIMSA-N 2 0 343.471 1.392 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587910 453315656 /nfs/dbraw/zinc/31/56/56/453315656.db2.gz ODBHHJPPTPUYMQ-HOTGVXAUSA-N 2 0 346.479 1.054 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1(C)C ZINC000662588867 453315715 /nfs/dbraw/zinc/31/57/15/453315715.db2.gz FRYJVLHXEBVFJP-FRQCXROJSA-N 2 0 337.508 1.757 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597033 453322613 /nfs/dbraw/zinc/32/26/13/453322613.db2.gz VYQXOPSMWPBCFG-LJCCNALRSA-N 2 0 349.519 1.757 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662597035 453322926 /nfs/dbraw/zinc/32/29/26/453322926.db2.gz VYQXOPSMWPBCFG-YZLZLFLDSA-N 2 0 349.519 1.757 20 0 EDADRP NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656679597 453363136 /nfs/dbraw/zinc/36/31/36/453363136.db2.gz YNASCNCTCJAALK-LJQANCHMSA-N 2 0 345.487 1.564 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000662664263 453377236 /nfs/dbraw/zinc/37/72/36/453377236.db2.gz VYWWGNFWGKCYRL-GOEBONIOSA-N 2 0 343.393 1.818 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000656702953 453381055 /nfs/dbraw/zinc/38/10/55/453381055.db2.gz UQDNBJJJLCDOJX-OAHLLOKOSA-N 2 0 332.275 1.691 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C2)C1 ZINC000653192277 453381862 /nfs/dbraw/zinc/38/18/62/453381862.db2.gz KCZMUQAMYSQUST-FPAYPSAMSA-N 2 0 343.471 1.618 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662668899 453381952 /nfs/dbraw/zinc/38/19/52/453381952.db2.gz SDBHOAJHNPOHQD-HUUCEWRRSA-N 2 0 346.479 1.167 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673500 453388254 /nfs/dbraw/zinc/38/82/54/453388254.db2.gz LMEITLPMAQWIOO-ROUUACIJSA-N 2 0 331.460 1.393 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662674672 453390133 /nfs/dbraw/zinc/39/01/33/453390133.db2.gz FNXUOXVVXBAEGL-MOPGFXCFSA-N 2 0 345.487 1.899 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662674626 453390486 /nfs/dbraw/zinc/39/04/86/453390486.db2.gz DMBICQVGTOJGCR-MOPGFXCFSA-N 2 0 345.487 1.899 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000667094476 453401617 /nfs/dbraw/zinc/40/16/17/453401617.db2.gz KMAXZUBNMGZWDU-BBRMVZONSA-N 2 0 332.448 1.634 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660587132 453429231 /nfs/dbraw/zinc/42/92/31/453429231.db2.gz NSYRDNWDBUVULR-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000653260487 453443568 /nfs/dbraw/zinc/44/35/68/453443568.db2.gz HMTNDHQXMYOVSU-MDMSPXHWSA-N 2 0 335.492 1.510 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000653266648 453446939 /nfs/dbraw/zinc/44/69/39/453446939.db2.gz CUNYICWJUQJJLM-CWMPHREQSA-N 2 0 335.492 1.795 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3[NH2+]CCC3(C)C)CCCC2)CC1 ZINC000662726124 453452178 /nfs/dbraw/zinc/45/21/78/453452178.db2.gz LLRRSCZUOQCDCP-MRXNPFEDSA-N 2 0 337.508 1.914 20 0 EDADRP C[N@@H+]1CC[C@@]2(C1)CCCN(CC(=O)NC1CC[NH+](C3CC3)CC1)C2 ZINC000660656781 453493720 /nfs/dbraw/zinc/49/37/20/453493720.db2.gz XYEDLZMPQPNOCU-LJQANCHMSA-N 2 0 334.508 1.147 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662791631 453525542 /nfs/dbraw/zinc/52/55/42/453525542.db2.gz WWHWZSYHSWNLBF-UHFFFAOYSA-N 2 0 330.476 1.042 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660702264 453526068 /nfs/dbraw/zinc/52/60/68/453526068.db2.gz WZXSCXVBNFKBEQ-CABCVRRESA-N 2 0 326.485 1.269 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000660702265 453526723 /nfs/dbraw/zinc/52/67/23/453526723.db2.gz WZXSCXVBNFKBEQ-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655443971 453531739 /nfs/dbraw/zinc/53/17/39/453531739.db2.gz FMXWCVNQWVIWDJ-MJGOQNOKSA-N 2 0 331.460 1.633 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655449926 453536709 /nfs/dbraw/zinc/53/67/09/453536709.db2.gz VROHQHUMEVUCRM-IEBWSBKVSA-N 2 0 328.460 1.552 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[NH+](C)C ZINC000665043818 453550685 /nfs/dbraw/zinc/55/06/85/453550685.db2.gz MUHBAQMGUCOZRD-WMLDXEAASA-N 2 0 334.464 1.003 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)c3cccc4c3CC[NH2+]C4)C2)C1 ZINC000662829009 453555737 /nfs/dbraw/zinc/55/57/37/453555737.db2.gz OEWGEOVTHBWJIY-FRQCXROJSA-N 2 0 343.471 1.691 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H]1CC[NH3+] ZINC000662829514 453555941 /nfs/dbraw/zinc/55/59/41/453555941.db2.gz MZLRQAZKYDXKGY-IJEWVQPXSA-N 2 0 334.468 1.182 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662860127 453575304 /nfs/dbraw/zinc/57/53/04/453575304.db2.gz QORDKLQFUDKMDI-RBUKOAKNSA-N 2 0 347.503 1.881 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CCC[NH2+]CC2)cc1F ZINC000662870885 453582066 /nfs/dbraw/zinc/58/20/66/453582066.db2.gz OSKSTMHJDLAUJW-QRTARXTBSA-N 2 0 349.450 1.786 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660822529 453586878 /nfs/dbraw/zinc/58/68/78/453586878.db2.gz DILACLGCMJZGBG-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660827846 453591365 /nfs/dbraw/zinc/59/13/65/453591365.db2.gz UCMBTBDFCCRKAZ-DLBZAZTESA-N 2 0 334.508 1.892 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659043127 453596622 /nfs/dbraw/zinc/59/66/22/453596622.db2.gz XEHKSKXYEHUPKM-XKQJLSEDSA-N 2 0 332.448 1.809 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855210 453612198 /nfs/dbraw/zinc/61/21/98/453612198.db2.gz LOIPTKZPTCMDMH-DOTOQJQBSA-N 2 0 338.496 1.128 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663003278 453643717 /nfs/dbraw/zinc/64/37/17/453643717.db2.gz LGCBJXYZTHKSPP-GPMSIDNRSA-N 2 0 337.508 1.757 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCn2ccnc2C1 ZINC000661043685 453692585 /nfs/dbraw/zinc/69/25/85/453692585.db2.gz DLCXNNDRIUOOCW-DLBZAZTESA-N 2 0 339.443 1.772 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnn4c3CCC4)ccn2)CC1 ZINC000657313167 453763895 /nfs/dbraw/zinc/76/38/95/453763895.db2.gz HBFWWWNYIIHGJA-UHFFFAOYSA-N 2 0 326.448 1.266 20 0 EDADRP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657360190 453774013 /nfs/dbraw/zinc/77/40/13/453774013.db2.gz YSEVQGDAVKHPHX-LBPRGKRZSA-N 2 0 345.413 1.697 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657386298 453779895 /nfs/dbraw/zinc/77/98/95/453779895.db2.gz DISWYRSITQXVGZ-HXUWFJFHSA-N 2 0 347.503 1.970 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000661402616 453811642 /nfs/dbraw/zinc/81/16/42/453811642.db2.gz HKEUJZCAEMHQJF-GJZGRUSLSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000663505106 453811867 /nfs/dbraw/zinc/81/18/67/453811867.db2.gz DLMJUKPSTCUSMC-IRXDYDNUSA-N 2 0 325.497 1.770 20 0 EDADRP Cc1cn[nH]c1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663514106 453813967 /nfs/dbraw/zinc/81/39/67/453813967.db2.gz WRHPVNZHXSQRTO-CQSZACIVSA-N 2 0 329.452 1.230 20 0 EDADRP CC(C)(C)[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1O ZINC000680388024 486764889 /nfs/dbraw/zinc/76/48/89/486764889.db2.gz FVYZGXACHLHMKN-DLBZAZTESA-N 2 0 337.508 1.458 20 0 EDADRP C[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C[NH+]1CCCCC1 ZINC000672750833 486789597 /nfs/dbraw/zinc/78/95/97/486789597.db2.gz ZGXYGAAHBBEKLY-INIZCTEOSA-N 2 0 340.512 1.207 20 0 EDADRP c1cc(CN2CCC[N@@H+](C[C@H]3CCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667497655 486810850 /nfs/dbraw/zinc/81/08/50/486810850.db2.gz JXSLOPWRIJBJTG-LJQANCHMSA-N 2 0 341.459 1.954 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000676682454 486841833 /nfs/dbraw/zinc/84/18/33/486841833.db2.gz AWPNCDVPVRRJAH-HNNXBMFYSA-N 2 0 333.480 1.858 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)N2CCN(Cc3ccncc3)CC2)c1 ZINC000667732511 486937998 /nfs/dbraw/zinc/93/79/98/486937998.db2.gz KXKMSDNTIHXBHV-UHFFFAOYSA-N 2 0 325.416 1.890 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667933997 487023392 /nfs/dbraw/zinc/02/33/92/487023392.db2.gz YZNCABPVMAUFHC-QZTJIDSGSA-N 2 0 331.460 1.635 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000667990172 487049927 /nfs/dbraw/zinc/04/99/27/487049927.db2.gz SZJLCEPDWITBIC-KRWDZBQOSA-N 2 0 333.476 1.595 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000674247073 487222249 /nfs/dbraw/zinc/22/22/49/487222249.db2.gz VPNNBMGDACCSIJ-KGLIPLIRSA-N 2 0 336.455 1.705 20 0 EDADRP Cn1ncc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C(F)F ZINC000682240191 487328697 /nfs/dbraw/zinc/32/86/97/487328697.db2.gz NRJVAHDOEBTSLF-UHFFFAOYSA-N 2 0 332.399 1.315 20 0 EDADRP COCc1nc(OC)cc(N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000682392671 487356878 /nfs/dbraw/zinc/35/68/78/487356878.db2.gz SXMOEUZMWAQKJT-HNNXBMFYSA-N 2 0 349.479 1.236 20 0 EDADRP CN1CCN(C(=O)C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678921942 487379394 /nfs/dbraw/zinc/37/93/94/487379394.db2.gz JZCAIOJYWAJFKW-GOSISDBHSA-N 2 0 344.503 1.403 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000675485254 487412689 /nfs/dbraw/zinc/41/26/89/487412689.db2.gz JULSEBJKCQHKJU-UHFFFAOYSA-N 3 0 349.519 1.952 20 0 EDADRP CC[NH+](C[C@H]1CCOC1)CC1(C[N@H+](CC)C[C@H]2CCOC2)COC1 ZINC000679850316 487468606 /nfs/dbraw/zinc/46/86/06/487468606.db2.gz CTWOFQUGPREOHQ-QZTJIDSGSA-N 2 0 340.508 1.720 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CCO1 ZINC000669555798 485557325 /nfs/dbraw/zinc/55/73/25/485557325.db2.gz HVVWVZIVZSSSTE-JKQORVJESA-N 2 0 338.496 1.397 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669561061 485568876 /nfs/dbraw/zinc/56/88/76/485568876.db2.gz AYGYQRVXPSPKLJ-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1coc(-c2cccnc2)n1 ZINC000668302755 485580812 /nfs/dbraw/zinc/58/08/12/485580812.db2.gz OWRMZLBJGVHZHS-UHFFFAOYSA-N 2 0 331.420 1.302 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CCC(F)(F)F ZINC000669570121 485587827 /nfs/dbraw/zinc/58/78/27/485587827.db2.gz RQJSDMJKUXAZPG-NWDGAFQWSA-N 2 0 340.390 1.018 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000669578664 485622678 /nfs/dbraw/zinc/62/26/78/485622678.db2.gz WNVRDWDPDQKGDL-XIRDDKMYSA-N 2 0 338.496 1.541 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000669583439 485632456 /nfs/dbraw/zinc/63/24/56/485632456.db2.gz BLNIFYFBYLUJFU-LAQRGFTBSA-N 2 0 348.491 1.744 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000668649576 485994403 /nfs/dbraw/zinc/99/44/03/485994403.db2.gz VFTTWMBOJZISGU-KURKYZTESA-N 2 0 332.492 1.928 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669389497 486024696 /nfs/dbraw/zinc/02/46/96/486024696.db2.gz DZROKUCBOGTJLX-OAHLLOKOSA-N 2 0 340.537 1.789 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCCC2)c1 ZINC000668678430 486032750 /nfs/dbraw/zinc/03/27/50/486032750.db2.gz VDKRMVFIBVAJRE-YATRRXNKSA-N 2 0 332.448 1.646 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405919 486077865 /nfs/dbraw/zinc/07/78/65/486077865.db2.gz OCQBOMHVFSBBSM-QXSJWSMHSA-N 2 0 340.512 1.501 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420205 486139215 /nfs/dbraw/zinc/13/92/15/486139215.db2.gz DOXXXEVPJFVVCR-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000669427254 486149023 /nfs/dbraw/zinc/14/90/23/486149023.db2.gz SVTXWBAPOPDLKX-PBHICJAKSA-N 2 0 334.464 1.396 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000669442207 486199105 /nfs/dbraw/zinc/19/91/05/486199105.db2.gz RYNONIXBGYLPGM-HZPDHXFCSA-N 2 0 349.479 1.009 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000669462365 486215460 /nfs/dbraw/zinc/21/54/60/486215460.db2.gz IUHKKTYPGJLFCN-UHFFFAOYSA-N 2 0 348.491 1.692 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000669485323 486251812 /nfs/dbraw/zinc/25/18/12/486251812.db2.gz VYFZBQHVBQYURB-WBMJQRKESA-N 2 0 338.427 1.145 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000162254215 486646528 /nfs/dbraw/zinc/64/65/28/486646528.db2.gz ZNZXJKDVIFNLSY-HNNXBMFYSA-N 2 0 325.840 1.696 20 0 EDADRP CC1(OCC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[NH2+]C1 ZINC000325906753 491249828 /nfs/dbraw/zinc/24/98/28/491249828.db2.gz QPOSUKVDTXDZQM-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP CC(=O)N(C)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000120012101 490996522 /nfs/dbraw/zinc/99/65/22/490996522.db2.gz AEBTUIHQTJBQJQ-UHFFFAOYSA-N 2 0 349.479 1.626 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000047684349 491166933 /nfs/dbraw/zinc/16/69/33/491166933.db2.gz KXAOSJCGJQANJL-YESZJQIVSA-N 2 0 342.528 1.902 20 0 EDADRP Cc1ccccc1CN1CCN(C(=O)C[N@H+](C)C[C@@H](O)C2CC2)CC1 ZINC000079767617 491167537 /nfs/dbraw/zinc/16/75/37/491167537.db2.gz NBHFEUHTGZMEBH-LJQANCHMSA-N 2 0 345.487 1.342 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000668475763 491176332 /nfs/dbraw/zinc/17/63/32/491176332.db2.gz WILOLXMNTIKOJQ-ARFHVFGLSA-N 2 0 333.542 1.204 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[N@@H+]1C1CC1 ZINC000177048891 533941580 /nfs/dbraw/zinc/94/15/80/533941580.db2.gz KDWAVJVCMXWFAR-ZBFHGGJFSA-N 2 0 343.475 1.188 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@H](C)C1 ZINC000154416309 527881511 /nfs/dbraw/zinc/88/15/11/527881511.db2.gz HTXNITWKJOJWGA-IXDOHACOSA-N 2 0 327.538 1.514 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1(OC)CC[NH2+]CC1)Cc1ccccc1 ZINC000164919284 528269951 /nfs/dbraw/zinc/26/99/51/528269951.db2.gz MSPNZLHMQOHTMX-SFHVURJKSA-N 2 0 347.503 1.824 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000069027987 534998763 /nfs/dbraw/zinc/99/87/63/534998763.db2.gz KZYLQLVOTYBYGF-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(CC[NH+](C)C)n2)C1 ZINC000124865109 535132091 /nfs/dbraw/zinc/13/20/91/535132091.db2.gz AQXSPUUQCFNFEO-HNNXBMFYSA-N 2 0 336.484 1.544 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236630565 535281308 /nfs/dbraw/zinc/28/13/08/535281308.db2.gz CRSHUTKGZXMXEC-SFHVURJKSA-N 2 0 331.460 1.523 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000125004780 535432347 /nfs/dbraw/zinc/43/23/47/535432347.db2.gz SRGYCUFEIJYKRV-ZDUSSCGKSA-N 2 0 334.420 1.435 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000340048289 535561198 /nfs/dbraw/zinc/56/11/98/535561198.db2.gz RXETVZLUAFPXGP-UHFFFAOYSA-N 2 0 331.526 1.608 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318298 535732983 /nfs/dbraw/zinc/73/29/83/535732983.db2.gz ZBYDHFFWZSRBQN-QZTJIDSGSA-N 2 0 336.524 1.489 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccc(C)cc3)C2)CC1 ZINC000245934001 535733653 /nfs/dbraw/zinc/73/36/53/535733653.db2.gz RPLAOGDFIFXIPU-RTBURBONSA-N 2 0 347.503 1.447 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)c2csc(CC[NH3+])n2)ccc1F ZINC000194836132 535991179 /nfs/dbraw/zinc/99/11/79/535991179.db2.gz KFIOHBPSMODHAC-UHFFFAOYSA-N 2 0 336.436 1.775 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000041892457 536035656 /nfs/dbraw/zinc/03/56/56/536035656.db2.gz XXMZKKALRCIMAS-HNNXBMFYSA-N 2 0 344.459 1.287 20 0 EDADRP Cn1nccc1[C@@H]1[C@@H](CNC(=O)NCC[N@H+](C)C2CC2)CCC[NH+]1C ZINC000347445949 536380924 /nfs/dbraw/zinc/38/09/24/536380924.db2.gz GSLBOIFASUADDA-PBHICJAKSA-N 2 0 348.495 1.196 20 0 EDADRP C[N@H+](CCNC(=O)c1csc(CC[NH3+])n1)Cc1ccc(F)cc1 ZINC000194840069 536386357 /nfs/dbraw/zinc/38/63/57/536386357.db2.gz IANIWHPKKKVGOP-UHFFFAOYSA-N 2 0 336.436 1.645 20 0 EDADRP COC1(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261559204 536540220 /nfs/dbraw/zinc/54/02/20/536540220.db2.gz DPIWKFVVODPPOM-AEFFLSMTSA-N 2 0 345.487 1.782 20 0 EDADRP COCC1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262383871 536813648 /nfs/dbraw/zinc/81/36/48/536813648.db2.gz OKAJFBXNSRPUMU-MRXNPFEDSA-N 2 0 345.487 1.566 20 0 EDADRP CC[C@H](CO)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000727057583 578512171 /nfs/dbraw/zinc/51/21/71/578512171.db2.gz ALKPHWQDSCWPOS-OAHLLOKOSA-N 2 0 334.464 1.128 20 0 EDADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000728913413 578554206 /nfs/dbraw/zinc/55/42/06/578554206.db2.gz BMGFDPKQWMDLPZ-HOTGVXAUSA-N 2 0 344.459 1.003 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3cccc(F)c3)cn2)CC1 ZINC000729930247 578602697 /nfs/dbraw/zinc/60/26/97/578602697.db2.gz JWJPXUJEBVKIEV-GOSISDBHSA-N 2 0 344.434 1.796 20 0 EDADRP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930958 578602834 /nfs/dbraw/zinc/60/28/34/578602834.db2.gz SMSROMOIDMCGBZ-DLBZAZTESA-N 2 0 325.497 1.018 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCCCCCC[NH+](C)C ZINC000732456361 578713583 /nfs/dbraw/zinc/71/35/83/578713583.db2.gz OVAJUASOROOTLY-INIZCTEOSA-N 2 0 327.517 1.044 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC1 ZINC000734276905 578804523 /nfs/dbraw/zinc/80/45/23/578804523.db2.gz UBEQGSPJMWWQEB-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000736228847 578966306 /nfs/dbraw/zinc/96/63/06/578966306.db2.gz KAHDGDIYZPISPL-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP C[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@H]1CCC[NH+](C)C1 ZINC000736855521 579026649 /nfs/dbraw/zinc/02/66/49/579026649.db2.gz HHJWLDFKQGORQA-AWEZNQCLSA-N 2 0 339.447 1.893 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=S)NC1CC[NH+](C)CC1 ZINC000746551150 579600650 /nfs/dbraw/zinc/60/06/50/579600650.db2.gz MSWUZSMUNYEWOU-OWCLPIDISA-N 2 0 340.537 1.139 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=S)NC1CC[NH+](C)CC1 ZINC000746551146 579600671 /nfs/dbraw/zinc/60/06/71/579600671.db2.gz MSWUZSMUNYEWOU-BZUAXINKSA-N 2 0 340.537 1.139 20 0 EDADRP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000747554070 579648682 /nfs/dbraw/zinc/64/86/82/579648682.db2.gz CTFGGDWVUDRWHH-LSDHHAIUSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000749004086 579709784 /nfs/dbraw/zinc/70/97/84/579709784.db2.gz CLWMXERLENZYPM-UHFFFAOYSA-N 2 0 342.553 1.388 20 0 EDADRP C[C@@H](C(=O)NC1CCC([NH+]2CCCCC2)CC1)N1CCN(C)CC1 ZINC000751053962 579792881 /nfs/dbraw/zinc/79/28/81/579792881.db2.gz IJPKFROAVZZNLE-AOCRQIFASA-N 2 0 336.524 1.536 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000763133934 580093686 /nfs/dbraw/zinc/09/36/86/580093686.db2.gz KZRJNVDABFBBKT-LEOMRAHMSA-N 2 0 338.496 1.149 20 0 EDADRP C[C@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000765280125 580139167 /nfs/dbraw/zinc/13/91/67/580139167.db2.gz QICWQELWKICOGK-HNNXBMFYSA-N 2 0 339.505 1.426 20 0 EDADRP C[NH+]1CCC(ONC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000773540263 580340209 /nfs/dbraw/zinc/34/02/09/580340209.db2.gz HMSSCEZMYPRLOU-UHFFFAOYSA-N 2 0 346.475 1.190 20 0 EDADRP Cn1cncc1[C@@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989711 580610530 /nfs/dbraw/zinc/61/05/30/580610530.db2.gz IANKFWXLNSOSNF-IAGOWNOFSA-N 2 0 345.491 1.357 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(F)(F)C1(O)CCCC1 ZINC000788305002 580716730 /nfs/dbraw/zinc/71/67/30/580716730.db2.gz FASOCWBADPFNOU-UHFFFAOYSA-N 2 0 349.466 1.659 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790290969 580766168 /nfs/dbraw/zinc/76/61/68/580766168.db2.gz RJPMLMMVNITIPM-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP O[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cn1 ZINC000799303389 581024795 /nfs/dbraw/zinc/02/47/95/581024795.db2.gz GXPQZTIJSJPABK-SFHVURJKSA-N 2 0 337.439 1.831 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857147 590658065 /nfs/dbraw/zinc/65/80/65/590658065.db2.gz ZAIZIDHIFFXWOY-HZPDHXFCSA-N 2 0 340.512 1.565 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891882161 590668074 /nfs/dbraw/zinc/66/80/74/590668074.db2.gz PFWQKSMUQCEPFI-OALUTQOASA-N 2 0 342.487 1.923 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891907625 590683215 /nfs/dbraw/zinc/68/32/15/590683215.db2.gz YFDAXPDQABRGIM-GFCCVEGCSA-N 2 0 339.509 1.790 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1C(F)(F)F ZINC000891944980 590699766 /nfs/dbraw/zinc/69/97/66/590699766.db2.gz QDGHWEKJZPPCSW-BXUZGUMPSA-N 2 0 348.413 1.782 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1C(F)(F)F ZINC000891944981 590699847 /nfs/dbraw/zinc/69/98/47/590699847.db2.gz QDGHWEKJZPPCSW-FZMZJTMJSA-N 2 0 348.413 1.782 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000891979207 590721594 /nfs/dbraw/zinc/72/15/94/590721594.db2.gz LURXTEUKYGGCMQ-PBHICJAKSA-N 2 0 332.448 1.351 20 0 EDADRP Cc1cc(N(C)CCN2CC[NH+](Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000804787443 590769245 /nfs/dbraw/zinc/76/92/45/590769245.db2.gz MVRCWWCYOLYFNN-UHFFFAOYSA-N 2 0 340.475 1.621 20 0 EDADRP C[N@H+](CCCO)C1CCN([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045690 590770141 /nfs/dbraw/zinc/77/01/41/590770141.db2.gz ZRYSXGDHQRHIRA-CVEARBPZSA-N 2 0 330.444 1.399 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000892082802 590788492 /nfs/dbraw/zinc/78/84/92/590788492.db2.gz OPQYDPDOUPUDTB-NVXWUHKLSA-N 2 0 332.448 1.493 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893360775 590802768 /nfs/dbraw/zinc/80/27/68/590802768.db2.gz QDCONLLNLGILSU-HOTGVXAUSA-N 2 0 329.460 1.236 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892191926 590857684 /nfs/dbraw/zinc/85/76/84/590857684.db2.gz SYPSPJFDQMAWMB-IAOVAPTHSA-N 2 0 328.460 1.520 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892343429 590971630 /nfs/dbraw/zinc/97/16/30/590971630.db2.gz QGLNKZSEYDJSLI-PKOBYXMFSA-N 2 0 342.487 1.958 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892343980 590972125 /nfs/dbraw/zinc/97/21/25/590972125.db2.gz ZFPDROIDOZHJMF-QGZVFWFLSA-N 2 0 330.476 1.958 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000892398734 591010612 /nfs/dbraw/zinc/01/06/12/591010612.db2.gz PTUWUIKSRGDITM-GOSISDBHSA-N 2 0 330.476 1.684 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891340663 591050286 /nfs/dbraw/zinc/05/02/86/591050286.db2.gz RBMQVIUDCABRPN-MRXNPFEDSA-N 2 0 339.528 1.090 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000892575326 591078182 /nfs/dbraw/zinc/07/81/82/591078182.db2.gz SUOZQQXLGJQGLG-MRXNPFEDSA-N 2 0 333.476 1.897 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(C)c2)CC1 ZINC000892575325 591078344 /nfs/dbraw/zinc/07/83/44/591078344.db2.gz SUOZQQXLGJQGLG-INIZCTEOSA-N 2 0 333.476 1.897 20 0 EDADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CCC[C@@H]3C[NH3+])C2)cc1 ZINC000892611587 591095624 /nfs/dbraw/zinc/09/56/24/591095624.db2.gz PSMOQNBRJHTEDK-MSOLQXFVSA-N 2 0 346.475 1.329 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891528766 591108654 /nfs/dbraw/zinc/10/86/54/591108654.db2.gz KVISSRBWUPJFRQ-SHTZXODSSA-N 2 0 340.512 1.693 20 0 EDADRP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000891534633 591111817 /nfs/dbraw/zinc/11/18/17/591111817.db2.gz NPHIBWRNEWKYKZ-QZTJIDSGSA-N 2 0 332.492 1.895 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000891597493 591142282 /nfs/dbraw/zinc/14/22/82/591142282.db2.gz IUUCTOCOTXTDPG-INIZCTEOSA-N 2 0 342.528 1.572 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000891597467 591142444 /nfs/dbraw/zinc/14/24/44/591142444.db2.gz QQDVEVQACSLZSL-UHFFFAOYSA-N 2 0 344.503 1.999 20 0 EDADRP C[C@H](CNC(=O)N(C)CCCCCC[NH3+])C[NH+]1CCN(C)CC1 ZINC000891603924 591145193 /nfs/dbraw/zinc/14/51/93/591145193.db2.gz SSPZDZKVGGTPLZ-MRXNPFEDSA-N 2 0 327.517 1.030 20 0 EDADRP CNC(=O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893999045 591163870 /nfs/dbraw/zinc/16/38/70/591163870.db2.gz PCQYTZZVSBEKDB-UHFFFAOYSA-N 2 0 343.374 1.638 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)[C@H]1OC ZINC000892759232 591164765 /nfs/dbraw/zinc/16/47/65/591164765.db2.gz HPNNAZXRNCPEJG-RCCFBDPRSA-N 2 0 325.497 1.327 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891673583 591180016 /nfs/dbraw/zinc/18/00/16/591180016.db2.gz QCWPACKEUSDXTJ-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000894105250 591195626 /nfs/dbraw/zinc/19/56/26/591195626.db2.gz GLEPGZGNDXQJFY-TWMKSMIVSA-N 2 0 334.508 1.842 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000892883752 591216344 /nfs/dbraw/zinc/21/63/44/591216344.db2.gz FCLDHHSYKUWSKF-OAHLLOKOSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)CN1CC[NH+](C)CC1 ZINC000892930000 591228687 /nfs/dbraw/zinc/22/86/87/591228687.db2.gz ZCURUBSJIFSXOA-BZUAXINKSA-N 2 0 329.460 1.093 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000892935850 591230287 /nfs/dbraw/zinc/23/02/87/591230287.db2.gz VNXSGVHKHLCMGV-UHFFFAOYSA-N 2 0 338.496 1.496 20 0 EDADRP Cc1ccnc(N)c1C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000894219113 591234293 /nfs/dbraw/zinc/23/42/93/591234293.db2.gz FOYARWYSWDAZBJ-UHFFFAOYSA-N 2 0 341.459 1.553 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000895656195 591241729 /nfs/dbraw/zinc/24/17/29/591241729.db2.gz YDRBIRLYDBSYKS-HRCADAONSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CCN2CCC2)c2c1OC(F)(F)O2 ZINC000894354595 591287606 /nfs/dbraw/zinc/28/76/06/591287606.db2.gz NHRMUXOQZCHFRR-UHFFFAOYSA-N 2 0 327.375 1.865 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424865 591308359 /nfs/dbraw/zinc/30/83/59/591308359.db2.gz AODAFIFOOUUBBF-SJORKVTESA-N 2 0 339.480 1.698 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)n[nH]1 ZINC000895985567 591318175 /nfs/dbraw/zinc/31/81/75/591318175.db2.gz OWHORLGTQFJSNM-HNNXBMFYSA-N 2 0 331.424 1.187 20 0 EDADRP C[N@H+](Cc1ccc2oc(=O)oc2c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894770592 591411101 /nfs/dbraw/zinc/41/11/01/591411101.db2.gz RSEUAGQFHMVCRZ-MRXNPFEDSA-N 2 0 345.443 1.986 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897508765 591509873 /nfs/dbraw/zinc/50/98/73/591509873.db2.gz SCPGIYAZJBPVCI-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP Cc1nc2ccccc2n1CC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896554792 591519325 /nfs/dbraw/zinc/51/93/25/591519325.db2.gz HUVQKIUXVJDCMB-GUYCJALGSA-N 2 0 329.448 1.095 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2nc(CN(C)C)cs2)C1 ZINC000896595757 591546219 /nfs/dbraw/zinc/54/62/19/591546219.db2.gz ZNMLODFCKUEDPF-LBPRGKRZSA-N 2 0 325.482 1.346 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000897587279 591570141 /nfs/dbraw/zinc/57/01/41/591570141.db2.gz MCROUGGHCDQESS-KRWDZBQOSA-N 2 0 331.464 1.781 20 0 EDADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N[C@@H](CO)C[NH+]2CCCC2)cc1 ZINC000897764191 591647699 /nfs/dbraw/zinc/64/76/99/591647699.db2.gz AXZVOZVBNMXRJT-SJLPKXTDSA-N 2 0 349.475 1.307 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000895270149 591693553 /nfs/dbraw/zinc/69/35/53/591693553.db2.gz YAEKMUQGJBELKP-ZBFHGGJFSA-N 2 0 334.489 1.556 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2C(F)F)C[C@H]1C[NH+](C)C ZINC000899158923 591706208 /nfs/dbraw/zinc/70/62/08/591706208.db2.gz SJDGGCPWXJTVRZ-CHWSQXEVSA-N 2 0 340.418 1.831 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C3C[NH+]([C@H]4CCOC4)C3)ccc21 ZINC000897910419 591718575 /nfs/dbraw/zinc/71/85/75/591718575.db2.gz XSDFSPQMTOAKND-FUHWJXTLSA-N 2 0 329.444 1.895 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C2CC2)O1 ZINC000897208779 591768718 /nfs/dbraw/zinc/76/87/18/591768718.db2.gz DNNJMNXYGXPLOY-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP COCCC[N@H+](C)CCOc1ccc(-c2cnn(C)c2C[NH3+])cc1 ZINC000899324515 591775656 /nfs/dbraw/zinc/77/56/56/591775656.db2.gz MZINUEQEOAQUPB-UHFFFAOYSA-N 2 0 332.448 1.893 20 0 EDADRP COc1c[nH]c(CO)c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195659 591942288 /nfs/dbraw/zinc/94/22/88/591942288.db2.gz MYLVLWHFBANHEB-GUYCJALGSA-N 2 0 347.459 1.325 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900214569 591945238 /nfs/dbraw/zinc/94/52/38/591945238.db2.gz FHEBRACNDQCRJM-AEFFLSMTSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900219602 591947162 /nfs/dbraw/zinc/94/71/62/591947162.db2.gz ZNYZACLSLMFSKW-SOLBZPMBSA-N 2 0 325.497 1.317 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000900228946 591956775 /nfs/dbraw/zinc/95/67/75/591956775.db2.gz VDMRROHUFSGMEA-HNNXBMFYSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455404 591999417 /nfs/dbraw/zinc/99/94/17/591999417.db2.gz LTGBAWBRNSMKIN-SKDRFNHKSA-N 2 0 341.253 1.814 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499396 592002659 /nfs/dbraw/zinc/00/26/59/592002659.db2.gz JOZYMTBZAKEYGZ-NUEKZKHPSA-N 2 0 327.432 1.309 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000902521404 592010459 /nfs/dbraw/zinc/01/04/59/592010459.db2.gz SJRHXOIGRLPSFF-SRVKXCTJSA-N 2 0 325.844 1.392 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1C[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C1)C2=O ZINC000902615460 592027073 /nfs/dbraw/zinc/02/70/73/592027073.db2.gz CWGWTATZEUTNHT-FSZRXZPDSA-N 2 0 346.475 1.328 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]1COc2ccccc2C1 ZINC000902794706 592064822 /nfs/dbraw/zinc/06/48/22/592064822.db2.gz YHVLJCLWQIEUMF-SZMVWBNQSA-N 2 0 345.487 1.803 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900585895 592070280 /nfs/dbraw/zinc/07/02/80/592070280.db2.gz CANQJGWAXDSOKK-UHFFFAOYSA-N 2 0 326.529 1.593 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)c1 ZINC000900653456 592081202 /nfs/dbraw/zinc/08/12/02/592081202.db2.gz SIHQEQRFBQIUAZ-MJGOQNOKSA-N 2 0 333.476 1.598 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900661697 592084763 /nfs/dbraw/zinc/08/47/63/592084763.db2.gz ZEYVBYRYSPTOKI-ABHNRTSZSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)c1nccn1CCNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900680957 592092659 /nfs/dbraw/zinc/09/26/59/592092659.db2.gz RZDKVCMPZUJYDI-UHFFFAOYSA-N 2 0 349.523 1.929 20 0 EDADRP CN(C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000900709485 592101325 /nfs/dbraw/zinc/10/13/25/592101325.db2.gz ZDWRYGDFMVTEGJ-AZUAARDMSA-N 2 0 345.487 1.565 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2C[C@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000900745084 592115853 /nfs/dbraw/zinc/11/58/53/592115853.db2.gz IWDKEKVMZZWZAG-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP CC[C@H]1CN(CCn2cccn2)CCN1C(=O)CNc1ccccn1 ZINC000900763955 592127432 /nfs/dbraw/zinc/12/74/32/592127432.db2.gz FTRZNHUIEFIKOI-INIZCTEOSA-N 2 0 342.447 1.313 20 0 EDADRP Cc1cccc(C)c1OCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903525326 592197778 /nfs/dbraw/zinc/19/77/78/592197778.db2.gz FBGHOAGKHMFLQW-MJGOQNOKSA-N 2 0 345.487 1.919 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903541208 592202000 /nfs/dbraw/zinc/20/20/00/592202000.db2.gz TVPKNEZZYSBAQF-YUELXQCFSA-N 2 0 331.382 1.949 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000901024252 592202618 /nfs/dbraw/zinc/20/26/18/592202618.db2.gz XMDQKUIQDQGUEJ-MSOLQXFVSA-N 2 0 338.540 1.638 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901026526 592203534 /nfs/dbraw/zinc/20/35/34/592203534.db2.gz MJZAVUZXZLMNML-YHOLWWCESA-N 2 0 335.492 1.476 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000906654506 592237509 /nfs/dbraw/zinc/23/75/09/592237509.db2.gz XJALVFSXRGIUIK-MRXNPFEDSA-N 2 0 344.459 1.561 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656075 592238414 /nfs/dbraw/zinc/23/84/14/592238414.db2.gz PEUZIZFBHVEDQU-INIZCTEOSA-N 2 0 346.475 1.762 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000906661697 592243829 /nfs/dbraw/zinc/24/38/29/592243829.db2.gz SVSSCJVSUXGFRF-IRXDYDNUSA-N 2 0 336.524 1.393 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906663401 592245763 /nfs/dbraw/zinc/24/57/63/592245763.db2.gz DRKFUGXPEBDGKG-CABCVRRESA-N 2 0 330.432 1.169 20 0 EDADRP CC(C)(CNC(=O)C(=O)Nc1ccccc1C[NH3+])C[NH+]1CCCC1 ZINC000906665898 592248289 /nfs/dbraw/zinc/24/82/89/592248289.db2.gz GXVOQXNEPRBSQQ-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@H]1c2c[nH]nc2CC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000906672390 592253603 /nfs/dbraw/zinc/25/36/03/592253603.db2.gz XQDZINMIEVEXOI-HZPDHXFCSA-N 2 0 349.523 1.808 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000906677121 592258327 /nfs/dbraw/zinc/25/83/27/592258327.db2.gz JTQJCOIANSFNKB-ZWKOTPCHSA-N 2 0 338.540 1.498 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000901145439 592259408 /nfs/dbraw/zinc/25/94/08/592259408.db2.gz ITVYBEUDZQOBCQ-UHFFFAOYSA-N 2 0 334.508 1.099 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906680277 592262066 /nfs/dbraw/zinc/26/20/66/592262066.db2.gz MPFHOULWZMXAQL-JKSUJKDBSA-N 2 0 344.459 1.514 20 0 EDADRP COc1ccccc1C[N@H+](CCO)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903722137 592283120 /nfs/dbraw/zinc/28/31/20/592283120.db2.gz HNDCIIPYXRTXJA-QGZVFWFLSA-N 2 0 334.460 1.648 20 0 EDADRP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903727148 592286096 /nfs/dbraw/zinc/28/60/96/592286096.db2.gz RDAXZMQQQNJKFP-OTWHNJEPSA-N 2 0 334.460 1.265 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2C[C@@H]3OCC[C@@H]3[NH2+]2)n1 ZINC000904605367 592294150 /nfs/dbraw/zinc/29/41/50/592294150.db2.gz UAZHOTWYXQTLBY-DZKIICNBSA-N 2 0 344.415 1.869 20 0 EDADRP CCOC(=O)N(C)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753957 592303438 /nfs/dbraw/zinc/30/34/38/592303438.db2.gz ZKDIWNRSZIJKMO-INIZCTEOSA-N 2 0 339.480 1.698 20 0 EDADRP CN1CCN(c2ccc(-c3noc(C[C@@H]([NH3+])C(C)(C)C)n3)cn2)CC1 ZINC000904658881 592307354 /nfs/dbraw/zinc/30/73/54/592307354.db2.gz KOBSWMNREKATBF-CQSZACIVSA-N 2 0 344.463 1.799 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@]4(C)CCC[NH2+]4)n3)cn2)CC1 ZINC000904671364 592309784 /nfs/dbraw/zinc/30/97/84/592309784.db2.gz GTNDLWCGXZXQIS-GOSISDBHSA-N 2 0 342.447 1.872 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000908095489 592312895 /nfs/dbraw/zinc/31/28/95/592312895.db2.gz WTHGKBCOINLIND-MJGOQNOKSA-N 2 0 349.475 1.261 20 0 EDADRP CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793928 592317009 /nfs/dbraw/zinc/31/70/09/592317009.db2.gz JYYQQEGPYDOJSA-UHFFFAOYSA-N 2 0 346.475 1.603 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782688 592320963 /nfs/dbraw/zinc/32/09/63/592320963.db2.gz QPNVTKLVNSQSIA-RBUKOAKNSA-N 2 0 345.487 1.800 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000903783146 592321202 /nfs/dbraw/zinc/32/12/02/592321202.db2.gz VCTUILZERVVMTI-AEFFLSMTSA-N 2 0 330.476 1.751 20 0 EDADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C[C@@H]1CC[NH2+]C1 ZINC000903796576 592325237 /nfs/dbraw/zinc/32/52/37/592325237.db2.gz XGTZWOMPMXJZMR-QRVBRYPASA-N 2 0 345.487 1.639 20 0 EDADRP COc1ccc(C[N@H+](CCCO)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831357 592336920 /nfs/dbraw/zinc/33/69/20/592336920.db2.gz IRTAQTCNWYXJCC-RBUKOAKNSA-N 2 0 334.460 1.648 20 0 EDADRP CCOC(=O)CC[N@@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)CC1CC1 ZINC000903889163 592351132 /nfs/dbraw/zinc/35/11/32/592351132.db2.gz PJEOHFLHBXDPII-OAHLLOKOSA-N 2 0 335.452 1.368 20 0 EDADRP CCN(CC)C(=O)CN1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903880007 592360859 /nfs/dbraw/zinc/36/08/59/592360859.db2.gz MHPNGWKTQFMESH-AYHJJNSGSA-N 2 0 336.524 1.393 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000903884918 592363737 /nfs/dbraw/zinc/36/37/37/592363737.db2.gz BPCUITAHVVJOQG-SJORKVTESA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(CCC[NH+](C)C)CC2)cnn1C ZINC000903898847 592368354 /nfs/dbraw/zinc/36/83/54/592368354.db2.gz QMVCHEWWILVLTB-SFHVURJKSA-N 3 0 335.540 1.900 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000903909316 592374030 /nfs/dbraw/zinc/37/40/30/592374030.db2.gz TWDZVBGERHURHN-MRXNPFEDSA-N 3 0 332.496 1.510 20 0 EDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1C(=O)c1cscn1 ZINC000903925509 592379351 /nfs/dbraw/zinc/37/93/51/592379351.db2.gz GGQPCFMFQAIRPE-AVOUXACISA-N 2 0 334.489 1.820 20 0 EDADRP COc1ccc2c(c1)OC[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903926684 592380954 /nfs/dbraw/zinc/38/09/54/592380954.db2.gz NSIMYMSTVBAOGD-LSDHHAIUSA-N 2 0 343.431 1.305 20 0 EDADRP CN(C)[C@@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926335 592381393 /nfs/dbraw/zinc/38/13/93/592381393.db2.gz KVILZDBRNPTAHB-WMZOPIPTSA-N 2 0 328.464 1.595 20 0 EDADRP [NH3+][C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000903930188 592382485 /nfs/dbraw/zinc/38/24/85/592382485.db2.gz ULPOMWKNKPJXOW-BPQIPLTHSA-N 2 0 344.438 1.268 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000903937283 592387294 /nfs/dbraw/zinc/38/72/94/592387294.db2.gz HBEXFOIRDYXLLO-RDJZCZTQSA-N 3 0 332.496 1.605 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917497 592390552 /nfs/dbraw/zinc/39/05/52/592390552.db2.gz MNOXBSBZMQEGCB-FGTMMUONSA-N 3 0 333.524 1.558 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905110762 592410892 /nfs/dbraw/zinc/41/08/92/592410892.db2.gz OZXXVXMDACAKCP-HOJAQTOUSA-N 2 0 349.519 1.334 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905110944 592411756 /nfs/dbraw/zinc/41/17/56/592411756.db2.gz QHDYQKHBNMGXHN-GFCCVEGCSA-N 2 0 347.372 1.551 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000906941558 592421084 /nfs/dbraw/zinc/42/10/84/592421084.db2.gz NSZMJHFKAIUPGG-JKSUJKDBSA-N 2 0 346.475 1.175 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(O)CCOCC1 ZINC000905148344 592438124 /nfs/dbraw/zinc/43/81/24/592438124.db2.gz UDWNBLQTPXVHBQ-KRWDZBQOSA-N 2 0 326.481 1.276 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905294940 592487108 /nfs/dbraw/zinc/48/71/08/592487108.db2.gz NAVJRPWOCVBGLM-RTBURBONSA-N 2 0 335.492 1.087 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502904 592546320 /nfs/dbraw/zinc/54/63/20/592546320.db2.gz LWWOQGYUOZKPMJ-HSFUPAIVSA-N 2 0 328.497 1.232 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000908597975 592548897 /nfs/dbraw/zinc/54/88/97/592548897.db2.gz LZYBZHOZFOJNQM-KRWDZBQOSA-N 2 0 347.503 1.858 20 0 EDADRP CCO[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580287 592579794 /nfs/dbraw/zinc/57/97/94/592579794.db2.gz NDWDLSCWKWHAJA-RTBURBONSA-N 2 0 335.492 1.180 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000909918740 592713810 /nfs/dbraw/zinc/71/38/10/592713810.db2.gz RDUVHRBZNDBSIQ-KRWDZBQOSA-N 2 0 339.505 1.485 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000906391300 592808404 /nfs/dbraw/zinc/80/84/04/592808404.db2.gz BGKRTDAQGRWAGZ-UHFFFAOYSA-N 2 0 344.503 1.757 20 0 EDADRP CCn1ccnc1[C@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907937615 592849687 /nfs/dbraw/zinc/84/96/87/592849687.db2.gz FTTSVMKTRVIGEC-QAPCUYQASA-N 2 0 334.464 1.803 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000910870193 592898632 /nfs/dbraw/zinc/89/86/32/592898632.db2.gz UACWDSDGQFFTIB-UHFFFAOYSA-N 2 0 339.524 1.660 20 0 EDADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000911229059 592970211 /nfs/dbraw/zinc/97/02/11/592970211.db2.gz JONAUTTVQSEFBS-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000911312589 592996802 /nfs/dbraw/zinc/99/68/02/592996802.db2.gz JMCISLBZNXMTGH-VBCSKYIJSA-N 2 0 338.496 1.142 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911751990 592997391 /nfs/dbraw/zinc/99/73/91/592997391.db2.gz RLIAMOVPUBIMJH-LNCBFAARSA-N 2 0 343.427 1.389 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911815299 593007232 /nfs/dbraw/zinc/00/72/32/593007232.db2.gz YORGHKSVBDCWFT-MFKMUULPSA-N 2 0 328.254 1.515 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000911827003 593017740 /nfs/dbraw/zinc/01/77/40/593017740.db2.gz VLXOTSCJGIETAR-OSQNNJELSA-N 2 0 329.366 1.560 20 0 EDADRP CC[NH+]1CCN(CCNC(=[NH2+])Nc2ccc(OC)c(Cl)c2)CC1 ZINC000104168503 593033732 /nfs/dbraw/zinc/03/37/32/593033732.db2.gz URPYWFQIORCKMZ-UHFFFAOYSA-N 2 0 339.871 1.713 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOC)CC2(C)C)C1 ZINC000911912266 593036013 /nfs/dbraw/zinc/03/60/13/593036013.db2.gz JEQRCRWBKLBLCB-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000911913335 593036226 /nfs/dbraw/zinc/03/62/26/593036226.db2.gz CLLIBIXZGBSAGY-PMACEKPBSA-N 2 0 345.487 1.614 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000912584941 593106366 /nfs/dbraw/zinc/10/63/66/593106366.db2.gz UZJBYXCUXBGTAH-KRWDZBQOSA-N 2 0 337.508 1.602 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912587448 593106577 /nfs/dbraw/zinc/10/65/77/593106577.db2.gz RVZCFEKNYQTCGB-HNNXBMFYSA-N 2 0 327.513 1.752 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc2c(c1)CCC2 ZINC000103211477 593220418 /nfs/dbraw/zinc/22/04/18/593220418.db2.gz CSZWWNYXAVMHJI-UHFFFAOYSA-N 2 0 333.476 1.506 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1COC2=O ZINC000808913131 593298454 /nfs/dbraw/zinc/29/84/54/593298454.db2.gz JBPCDTHLRRKICM-UHFFFAOYSA-N 2 0 334.420 1.314 20 0 EDADRP C[C@H](O)c1ncc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000809629986 593350414 /nfs/dbraw/zinc/35/04/14/593350414.db2.gz ICLQDQFUANZKIO-LBPRGKRZSA-N 2 0 333.461 1.955 20 0 EDADRP CC[C@]1(C2CC2)NC(=O)N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000758236732 593397515 /nfs/dbraw/zinc/39/75/15/593397515.db2.gz FVFVFPSIUBNWBA-JCKWVBRZSA-N 2 0 334.464 1.471 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810542213 593410842 /nfs/dbraw/zinc/41/08/42/593410842.db2.gz KTGUELAVUDPNRO-GOSISDBHSA-N 2 0 343.487 1.550 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934834 593650328 /nfs/dbraw/zinc/65/03/28/593650328.db2.gz JTUSZGYNQXOFRI-BXUZGUMPSA-N 2 0 331.254 1.826 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819033161 593734691 /nfs/dbraw/zinc/73/46/91/593734691.db2.gz KTNPSGLIPCLPKB-BBRMVZONSA-N 2 0 345.409 1.964 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccccc1C(F)(F)F ZINC000819032421 593734814 /nfs/dbraw/zinc/73/48/14/593734814.db2.gz FCQQHDRGOVZFID-CZUORRHYSA-N 2 0 345.409 1.964 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H](O)C3CC3)c2)C1 ZINC000819040603 593735007 /nfs/dbraw/zinc/73/50/07/593735007.db2.gz ODUOCFUOFCULOE-QZTJIDSGSA-N 2 0 331.460 1.244 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000819059675 593736516 /nfs/dbraw/zinc/73/65/16/593736516.db2.gz ZOHWPYCVPFYHCT-GUYCJALGSA-N 2 0 327.419 1.471 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@H](C)[C@H](C)[NH3+])n3)cn2)CC1 ZINC000822956863 594128293 /nfs/dbraw/zinc/12/82/93/594128293.db2.gz PWJZQOCWICISOE-OLZOCXBDSA-N 2 0 330.436 1.724 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825451121 594186790 /nfs/dbraw/zinc/18/67/90/594186790.db2.gz FWZIGKNQZVLOLD-CJNGLKHVSA-N 2 0 330.436 1.565 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000829757433 594256121 /nfs/dbraw/zinc/25/61/21/594256121.db2.gz FCIAXXUBSRZNPK-YESZJQIVSA-N 2 0 325.497 1.772 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000826667970 594550415 /nfs/dbraw/zinc/55/04/15/594550415.db2.gz RFJLJLFNTVATCM-ROUUACIJSA-N 2 0 334.508 1.290 20 0 EDADRP CN(CCC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)c1cc[nH+]cc1 ZINC000827445468 594672764 /nfs/dbraw/zinc/67/27/64/594672764.db2.gz QEHMOVBPRGAMLN-UHFFFAOYSA-N 2 0 345.491 1.146 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000827450650 594673534 /nfs/dbraw/zinc/67/35/34/594673534.db2.gz WEUKLCFDAKKFEW-IBGZPJMESA-N 2 0 348.535 1.632 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000827491058 594677070 /nfs/dbraw/zinc/67/70/70/594677070.db2.gz KUMXUCSLPSVGFY-OKZBNKHCSA-N 2 0 347.507 1.254 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC000841017341 594839679 /nfs/dbraw/zinc/83/96/79/594839679.db2.gz DKIRUWDBWMBKRM-UHFFFAOYSA-N 2 0 331.464 1.702 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000841017620 594839899 /nfs/dbraw/zinc/83/98/99/594839899.db2.gz GXBGBYFFPRFSFR-IYBDPMFKSA-N 2 0 343.475 1.512 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841017541 594839932 /nfs/dbraw/zinc/83/99/32/594839932.db2.gz FRFJTZKFLHWYIK-MRXNPFEDSA-N 2 0 345.491 1.950 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000841024353 594841222 /nfs/dbraw/zinc/84/12/22/594841222.db2.gz SCGBQFCNAMNKSX-UHFFFAOYSA-N 2 0 346.475 1.857 20 0 EDADRP C[C@@H]1CN(c2ccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2)CCO1 ZINC000841122963 594854709 /nfs/dbraw/zinc/85/47/09/594854709.db2.gz WGLOUFBQTOMDDZ-PBHICJAKSA-N 2 0 347.463 1.018 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1)[NH+](C)C ZINC000841279750 594880609 /nfs/dbraw/zinc/88/06/09/594880609.db2.gz GCOZXLJZDPRJCB-BBRMVZONSA-N 2 0 348.447 1.667 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847199 594964409 /nfs/dbraw/zinc/96/44/09/594964409.db2.gz SNRBZRRQKKMQDR-AWEZNQCLSA-N 2 0 345.443 1.924 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847375 594964753 /nfs/dbraw/zinc/96/47/53/594964753.db2.gz VTYINCNAPFMITG-MLGOLLRUSA-N 2 0 331.416 1.674 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000841850674 594965195 /nfs/dbraw/zinc/96/51/95/594965195.db2.gz BYDLQCUECUNIKZ-KRWDZBQOSA-N 2 0 336.505 1.424 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000841927099 594983384 /nfs/dbraw/zinc/98/33/84/594983384.db2.gz FQEFJAHOISBCQA-IBGZPJMESA-N 2 0 346.475 1.017 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000842007227 595000818 /nfs/dbraw/zinc/00/08/18/595000818.db2.gz WZKYHYSFUDEUHQ-MGPQQGTHSA-N 2 0 330.423 1.405 20 0 EDADRP C[NH2+]C[C@H]1CCCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347067 595082200 /nfs/dbraw/zinc/08/22/00/595082200.db2.gz SJRIRBMSNABATI-VXGBXAGGSA-N 2 0 331.420 1.527 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000843489869 595127795 /nfs/dbraw/zinc/12/77/95/595127795.db2.gz CYYWKNVVLGSXIT-QGZVFWFLSA-N 2 0 332.448 1.183 20 0 EDADRP COc1cc(OC)cc(C(=O)N2CC[NH+](CCCCCC[NH3+])CC2)c1 ZINC000846217134 595176610 /nfs/dbraw/zinc/17/66/10/595176610.db2.gz AJGPLHQKRFDRHX-UHFFFAOYSA-N 2 0 349.475 1.981 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1C ZINC000844021637 595246376 /nfs/dbraw/zinc/24/63/76/595246376.db2.gz JSMKHCHMWWGNEQ-IYBDPMFKSA-N 2 0 334.464 1.476 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000844163597 595287911 /nfs/dbraw/zinc/28/79/11/595287911.db2.gz OITSDUROCSEISN-INIZCTEOSA-N 2 0 333.432 1.876 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000844165224 595288358 /nfs/dbraw/zinc/28/83/58/595288358.db2.gz VLZUBVUCJMZYGF-UHFFFAOYSA-N 2 0 331.464 1.696 20 0 EDADRP C[N@H+](C[C@H]1CCC[NH+](C)C1)C[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846808611 595319431 /nfs/dbraw/zinc/31/94/31/595319431.db2.gz ZGTGZGYMRFPVOT-MAUKXSAKSA-N 2 0 341.496 1.632 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cn3cc(-c4ccncn4)cn3)C2)CC1 ZINC000848482293 595391569 /nfs/dbraw/zinc/39/15/69/595391569.db2.gz LBZPSTSJOMQPJI-MRXNPFEDSA-N 2 0 326.448 1.961 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CCC([NH+]2CCCCC2)CC1)C(F)(F)F ZINC000848596957 595414058 /nfs/dbraw/zinc/41/40/58/595414058.db2.gz BTPUAIALGRXDTA-BPCQOVAHSA-N 2 0 336.402 1.972 20 0 EDADRP COC[C@@H](C)NC(=[NH2+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000849100608 595481805 /nfs/dbraw/zinc/48/18/05/595481805.db2.gz MOSKNMIVDCMJRX-OAHLLOKOSA-N 2 0 334.464 1.810 20 0 EDADRP OCCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765197 595532944 /nfs/dbraw/zinc/53/29/44/595532944.db2.gz OASMKMBYSNEKQB-MRXNPFEDSA-N 2 0 335.496 1.551 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849567708 595572415 /nfs/dbraw/zinc/57/24/15/595572415.db2.gz IRIWDPSEODLRRV-IRXDYDNUSA-N 2 0 333.480 1.056 20 0 EDADRP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849567924 595572671 /nfs/dbraw/zinc/57/26/71/595572671.db2.gz KVEMXNDHPPPFCJ-FSDCSDTHSA-N 2 0 333.480 1.006 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569895 595573556 /nfs/dbraw/zinc/57/35/56/595573556.db2.gz XAZHYWKZCMLJSQ-OIISXLGYSA-N 2 0 333.480 1.008 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571797 595574744 /nfs/dbraw/zinc/57/47/44/595574744.db2.gz LDINDPLWLBLCDX-CWLKWCNXSA-N 2 0 347.507 1.397 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852857504 595578953 /nfs/dbraw/zinc/57/89/53/595578953.db2.gz VQWYGQWUZDAELJ-OAHLLOKOSA-N 2 0 334.420 1.449 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852859369 595580970 /nfs/dbraw/zinc/58/09/70/595580970.db2.gz SOKCBBAAIJNWJA-MRXNPFEDSA-N 2 0 348.447 1.127 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849583029 595581727 /nfs/dbraw/zinc/58/17/27/595581727.db2.gz QYCQEFXQZVSQRB-DLBZAZTESA-N 2 0 347.507 1.398 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852862559 595583342 /nfs/dbraw/zinc/58/33/42/595583342.db2.gz BHENLIILEXMFGU-IAGOWNOFSA-N 2 0 334.508 1.313 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)=NO1 ZINC000852862873 595584018 /nfs/dbraw/zinc/58/40/18/595584018.db2.gz LPSYAHDDDHRUPC-CYBMUJFWSA-N 2 0 336.461 1.180 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597232 595586719 /nfs/dbraw/zinc/58/67/19/595586719.db2.gz RJXTUILHFOPUCB-BRWVUGGUSA-N 2 0 333.480 1.008 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873206 595592319 /nfs/dbraw/zinc/59/23/19/595592319.db2.gz QNRYFOWRFUKQGJ-SJORKVTESA-N 2 0 332.448 1.131 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248415 595742860 /nfs/dbraw/zinc/74/28/60/595742860.db2.gz SPOCUSOMYCNSTR-KGLIPLIRSA-N 2 0 327.469 1.600 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000853465222 595758602 /nfs/dbraw/zinc/75/86/02/595758602.db2.gz CWPQVIFRGVHYHL-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CN(C)c1ccnc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000853795084 595883116 /nfs/dbraw/zinc/88/31/16/595883116.db2.gz KCOMCRAGZKICEH-MRXNPFEDSA-N 2 0 327.432 1.721 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000854221671 596006604 /nfs/dbraw/zinc/00/66/04/596006604.db2.gz RIDDROOLSQXJOA-ZWKOTPCHSA-N 2 0 346.475 1.177 20 0 EDADRP CC(=O)[C@@](C)(O)C[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604474 596032010 /nfs/dbraw/zinc/03/20/10/596032010.db2.gz NTKCAIHPBIVHHO-MOPGFXCFSA-N 2 0 349.475 1.715 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)Cn3ccnc3)C2)ccn1 ZINC000856625290 596038059 /nfs/dbraw/zinc/03/80/59/596038059.db2.gz DXWCEQCGASVPBD-KRWDZBQOSA-N 2 0 343.431 1.410 20 0 EDADRP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000852092396 596041077 /nfs/dbraw/zinc/04/10/77/596041077.db2.gz UFIPDNRUHRHAGW-HUUCEWRRSA-N 2 0 334.397 1.989 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000861647143 596056618 /nfs/dbraw/zinc/05/66/18/596056618.db2.gz BXRMBZZIRBHTOH-UHFFFAOYSA-N 2 0 340.512 1.792 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857180243 596177768 /nfs/dbraw/zinc/17/77/68/596177768.db2.gz XQKAJWZWIHZHQF-HKUYNNGSSA-N 2 0 331.460 1.292 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000866705549 596301256 /nfs/dbraw/zinc/30/12/56/596301256.db2.gz CIYITQMOEVEUFZ-QGZVFWFLSA-N 2 0 336.480 1.548 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000870876353 596386387 /nfs/dbraw/zinc/38/63/87/596386387.db2.gz LSNFSDZFJWZSGI-UHFFFAOYSA-N 2 0 334.508 1.193 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870879442 596387587 /nfs/dbraw/zinc/38/75/87/596387587.db2.gz GMYXPHLZRHSZHT-ZDUSSCGKSA-N 2 0 344.253 1.143 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000870945206 596415026 /nfs/dbraw/zinc/41/50/26/596415026.db2.gz PWFJWIMLKXOVIP-NZLBXHEYSA-N 2 0 331.435 1.762 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000870994747 596432540 /nfs/dbraw/zinc/43/25/40/596432540.db2.gz USFBVXRKFKCTEV-KRWDZBQOSA-N 2 0 334.468 1.040 20 0 EDADRP CCC(C)(C)CCS(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867589819 596448957 /nfs/dbraw/zinc/44/89/57/596448957.db2.gz KMWACTYSDGFHPZ-HZPDHXFCSA-N 2 0 347.569 1.814 20 0 EDADRP C[C@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000865176090 596500785 /nfs/dbraw/zinc/50/07/85/596500785.db2.gz LXWRFCALSHOGLM-KGLIPLIRSA-N 2 0 342.484 1.042 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccnc2Br)CC1 ZINC000865414898 596567416 /nfs/dbraw/zinc/56/74/16/596567416.db2.gz VTVRMMFCAHPKQH-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP CC(=O)NCC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000865494554 596590813 /nfs/dbraw/zinc/59/08/13/596590813.db2.gz CYKRRBJFNLQERZ-YVZJPGBNSA-N 2 0 337.508 1.649 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865508584 596594151 /nfs/dbraw/zinc/59/41/51/596594151.db2.gz PEURZCCOICZURF-BLDCVEFLSA-N 2 0 327.469 1.288 20 0 EDADRP Cn1ncc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cnc21 ZINC000865620417 596628918 /nfs/dbraw/zinc/62/89/18/596628918.db2.gz LJYSUXDUWVOSHP-UHFFFAOYSA-N 2 0 343.475 1.949 20 0 EDADRP C[C@]1(C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654279 596645431 /nfs/dbraw/zinc/64/54/31/596645431.db2.gz VSGFMXZOZGDSBD-ADVQIIOHSA-N 2 0 345.409 1.717 20 0 EDADRP COc1cnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(F)c1 ZINC000865783874 596681707 /nfs/dbraw/zinc/68/17/07/596681707.db2.gz VPUFWFCONWQMSL-UHFFFAOYSA-N 2 0 340.443 1.575 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000868111141 596689800 /nfs/dbraw/zinc/68/98/00/596689800.db2.gz ZEUBYBCDZWMTRK-IYBDPMFKSA-N 2 0 332.448 1.420 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2Cc3ccc(F)cc32)C[C@H]1C[NH+](C)C ZINC000870019474 596710833 /nfs/dbraw/zinc/71/08/33/596710833.db2.gz YYTGPCZVCMHECQ-IIDMSEBBSA-N 2 0 333.451 1.663 20 0 EDADRP COC1CCC(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870019907 596711479 /nfs/dbraw/zinc/71/14/79/596711479.db2.gz VNGQPOGLIHEUAK-JCCCHCCOSA-N 2 0 325.497 1.389 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@](C)(O)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870021564 596711928 /nfs/dbraw/zinc/71/19/28/596711928.db2.gz HQWZVGQKLXMLFB-MBOZVWFJSA-N 2 0 347.503 1.482 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2OCCO3)C[C@H]1C[NH+](C)C ZINC000870022882 596713321 /nfs/dbraw/zinc/71/33/21/596713321.db2.gz BTOMPCHIMNWNOF-HUUCEWRRSA-N 2 0 347.459 1.269 20 0 EDADRP CC(C)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000870022701 596713402 /nfs/dbraw/zinc/71/34/02/596713402.db2.gz YDRCUYZKFDTKGE-HZPDHXFCSA-N 2 0 348.491 1.722 20 0 EDADRP CC[C@H](C)Oc1nccnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010164 596757059 /nfs/dbraw/zinc/75/70/59/596757059.db2.gz GMXBDLWYYAISLX-ARFHVFGLSA-N 2 0 335.496 1.830 20 0 EDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CN(c2ccccc2)C(=O)O1 ZINC000872153677 596814726 /nfs/dbraw/zinc/81/47/26/596814726.db2.gz GOLMKZYEYDVFSM-HZPDHXFCSA-N 2 0 331.416 1.465 20 0 EDADRP C[Si](C)(CC[NH+]1C[C@@H]2COC[C@@H]2C1)CC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000872319482 596879911 /nfs/dbraw/zinc/87/99/11/596879911.db2.gz HQXKFNXABQLPKJ-USTZCAOPSA-N 2 0 338.568 1.851 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875743372 596969999 /nfs/dbraw/zinc/96/99/99/596969999.db2.gz QUAOXHBVKYLPKQ-CVEARBPZSA-N 2 0 340.512 1.251 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970879 597051848 /nfs/dbraw/zinc/05/18/48/597051848.db2.gz IDRABBBZMUTWLF-HOTGVXAUSA-N 2 0 339.484 1.209 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000876202306 597132204 /nfs/dbraw/zinc/13/22/04/597132204.db2.gz CPHNRDUSXCCANU-DOTOQJQBSA-N 2 0 346.475 1.318 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000876521095 597229394 /nfs/dbraw/zinc/22/93/94/597229394.db2.gz HCLWEKCISBXEPV-LSDHHAIUSA-N 2 0 345.443 1.876 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000873218304 597231543 /nfs/dbraw/zinc/23/15/43/597231543.db2.gz BYLQRDBYFOJAIE-UHFFFAOYSA-N 3 0 328.464 1.688 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273246 597244334 /nfs/dbraw/zinc/24/43/34/597244334.db2.gz ZOSDTDKDOUQJHT-UONOGXRCSA-N 2 0 339.505 1.990 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876576863 597247185 /nfs/dbraw/zinc/24/71/85/597247185.db2.gz SFMWAJJJFMLRND-UHFFFAOYSA-N 2 0 339.505 1.888 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000875142836 597300616 /nfs/dbraw/zinc/30/06/16/597300616.db2.gz FQXUIWLHMMEGAY-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000876723020 597305895 /nfs/dbraw/zinc/30/58/95/597305895.db2.gz KSLMXIURWOHWOP-HOCLYGCPSA-N 2 0 333.480 1.578 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000876723655 597306813 /nfs/dbraw/zinc/30/68/13/597306813.db2.gz WJCMWNXALORVFC-JKSUJKDBSA-N 2 0 333.480 1.720 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000876727494 597307991 /nfs/dbraw/zinc/30/79/91/597307991.db2.gz MDVRAWJFMUXNDU-OWCLPIDISA-N 2 0 331.464 1.473 20 0 EDADRP CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876729485 597310040 /nfs/dbraw/zinc/31/00/40/597310040.db2.gz OLYRUNQBJWVMNO-OALUTQOASA-N 2 0 346.519 1.779 20 0 EDADRP CN(C(=O)[C@@]1(C[NH3+])CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000876754965 597324022 /nfs/dbraw/zinc/32/40/22/597324022.db2.gz VXNQLWRBSPQNNO-GOSISDBHSA-N 2 0 335.448 1.345 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(COC)C[NH2+]CCO2)C1 ZINC000876762296 597327813 /nfs/dbraw/zinc/32/78/13/597327813.db2.gz FLQYYYJMUPOAQA-CRAIPNDOSA-N 2 0 341.496 1.008 20 0 EDADRP C[NH+](C)C1(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000876768025 597331238 /nfs/dbraw/zinc/33/12/38/597331238.db2.gz CDTBFSLVVZPDJL-SCOAYWHSSA-N 2 0 327.472 1.758 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000876775861 597335460 /nfs/dbraw/zinc/33/54/60/597335460.db2.gz BKQHDOIVKZHNKL-IAGOWNOFSA-N 2 0 347.507 1.920 20 0 EDADRP O=C([C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876837500 597354264 /nfs/dbraw/zinc/35/42/64/597354264.db2.gz IOVTWQIQGDILKK-CEXWTWQISA-N 2 0 339.483 1.967 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(Cl)cc1 ZINC000876881498 597368390 /nfs/dbraw/zinc/36/83/90/597368390.db2.gz IAXDCHDEBAULRY-XQQFMLRXSA-N 2 0 331.794 1.899 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876934920 597389777 /nfs/dbraw/zinc/38/97/77/597389777.db2.gz MDNDJIAEYOYARJ-GJZGRUSLSA-N 2 0 331.464 1.521 20 0 EDADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)C2 ZINC000876984094 597405280 /nfs/dbraw/zinc/40/52/80/597405280.db2.gz DTMHVHAWCPCTDI-KMANFZQXSA-N 2 0 333.863 1.983 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000877004977 597409679 /nfs/dbraw/zinc/40/96/79/597409679.db2.gz OMNCMHKGENQEDB-QWHCGFSZSA-N 2 0 338.249 1.850 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC(C)(C)CCCO)C[C@H]1C[NH+](C)C ZINC000875451905 597433535 /nfs/dbraw/zinc/43/35/35/597433535.db2.gz QIYRTFPFVVJQRL-HZPDHXFCSA-N 2 0 342.528 1.166 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@H]1C[NH+](C)C ZINC000877144340 597442164 /nfs/dbraw/zinc/44/21/64/597442164.db2.gz KUWKVQFHUYYBDB-IAGOWNOFSA-N 3 0 344.503 1.144 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000877201337 597460838 /nfs/dbraw/zinc/46/08/38/597460838.db2.gz XHRQQHVLQFGRSX-HNNXBMFYSA-N 2 0 333.480 1.727 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000877258113 597482125 /nfs/dbraw/zinc/48/21/25/597482125.db2.gz VVYFUFGNLGVDNB-QFBILLFUSA-N 2 0 333.476 1.789 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@H]1C(F)(F)F ZINC000877355629 597499790 /nfs/dbraw/zinc/49/97/90/597499790.db2.gz NZGWQFHVQHVPSL-SMDDNHRTSA-N 2 0 327.350 1.542 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877362272 597501464 /nfs/dbraw/zinc/50/14/64/597501464.db2.gz ZTNIHUZPJUTFKL-RYUDHWBXSA-N 2 0 341.443 1.657 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000877389380 597507510 /nfs/dbraw/zinc/50/75/10/597507510.db2.gz BZUYOMVCPAMWMY-UYAOXDASSA-N 2 0 342.487 1.448 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877407985 597511046 /nfs/dbraw/zinc/51/10/46/597511046.db2.gz ATOWKWHJPNUPPM-MSOLQXFVSA-N 2 0 345.487 1.994 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451218 597517247 /nfs/dbraw/zinc/51/72/47/597517247.db2.gz KQFMXDILALVGSW-CABCVRRESA-N 2 0 334.489 1.919 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878171574 597583990 /nfs/dbraw/zinc/58/39/90/597583990.db2.gz OOHAAFJOBOFUBC-IBGZPJMESA-N 2 0 344.503 1.403 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000881443095 597620446 /nfs/dbraw/zinc/62/04/46/597620446.db2.gz WBXBARHFMKVIMP-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000883065402 597637314 /nfs/dbraw/zinc/63/73/14/597637314.db2.gz KCWZBSDHVITMGB-HNNXBMFYSA-N 2 0 331.464 1.786 20 0 EDADRP COC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCOC1 ZINC000883173311 597676897 /nfs/dbraw/zinc/67/68/97/597676897.db2.gz IJAMRVNQHCREMO-MSOLQXFVSA-N 2 0 348.491 1.365 20 0 EDADRP COC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883178697 597678348 /nfs/dbraw/zinc/67/83/48/597678348.db2.gz CGZAOSFIPSOOJT-ROUUACIJSA-N 2 0 348.491 1.365 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CCCOC1 ZINC000883191356 597682027 /nfs/dbraw/zinc/68/20/27/597682027.db2.gz ZRSOLKDUYFNAMU-NUJGCVRESA-N 2 0 326.481 1.519 20 0 EDADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000879709539 597697377 /nfs/dbraw/zinc/69/73/77/597697377.db2.gz MMLDVAPFFRPQQE-UHFFFAOYSA-N 2 0 327.513 1.530 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)C(C)C ZINC000883289685 597701323 /nfs/dbraw/zinc/70/13/23/597701323.db2.gz XAQHNJYZQUOCQY-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@@H]21 ZINC000878829927 597727239 /nfs/dbraw/zinc/72/72/39/597727239.db2.gz NBOJFSPICBURJO-CJNGLKHVSA-N 2 0 326.404 1.825 20 0 EDADRP [NH3+]C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883586624 597815198 /nfs/dbraw/zinc/81/51/98/597815198.db2.gz OXRIGQMHOLDHNI-ZWKOTPCHSA-N 2 0 343.475 1.830 20 0 EDADRP COCC[N@@H+](CC(=O)N1CCC[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123635 597826282 /nfs/dbraw/zinc/82/62/82/597826282.db2.gz XYMNKLQABAJXFN-MRXNPFEDSA-N 2 0 325.497 1.535 20 0 EDADRP COCC[N@H+](C[C@H](O)CC1(O)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879127593 597827596 /nfs/dbraw/zinc/82/75/96/597827596.db2.gz ZCGKPFLCGMZPMD-GOSISDBHSA-N 2 0 342.524 1.723 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+]2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879211251 597850192 /nfs/dbraw/zinc/85/01/92/597850192.db2.gz DWQKTVILFODESF-OAGGEKHMSA-N 2 0 341.496 1.536 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnc(F)c2F)C[C@H]1C[NH+](C)C ZINC000880158001 597860060 /nfs/dbraw/zinc/86/00/60/597860060.db2.gz VYPYWRLHJMRJQT-VXGBXAGGSA-N 2 0 341.406 1.563 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000883715866 597873650 /nfs/dbraw/zinc/87/36/50/597873650.db2.gz VLLDFHAGEVEBPX-KRWDZBQOSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000127636702 597874105 /nfs/dbraw/zinc/87/41/05/597874105.db2.gz AKTXFZJKTIYWGS-CZUORRHYSA-N 2 0 331.416 1.534 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884020870 597969970 /nfs/dbraw/zinc/96/99/70/597969970.db2.gz LYDMEOQJMRUCOS-STQMWFEESA-N 2 0 326.238 1.659 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000884023636 597970847 /nfs/dbraw/zinc/97/08/47/597970847.db2.gz RQLYIFCHCRWJGL-CVEARBPZSA-N 2 0 331.416 1.661 20 0 EDADRP [NH3+][C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000884027332 597972110 /nfs/dbraw/zinc/97/21/10/597972110.db2.gz ZCWYLMGAJIXAIX-GWCFXTLKSA-N 2 0 326.238 1.565 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884029469 597972558 /nfs/dbraw/zinc/97/25/58/597972558.db2.gz MZNMMNIFYOVJDP-UHFFFAOYSA-N 2 0 337.427 1.389 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]([NH3+])CCOC ZINC000884176233 598015333 /nfs/dbraw/zinc/01/53/33/598015333.db2.gz AEWTUSVHFRHSJD-CQSZACIVSA-N 2 0 347.463 1.680 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884186194 598018599 /nfs/dbraw/zinc/01/85/99/598018599.db2.gz SOTPDZTZTLODMJ-JKSUJKDBSA-N 2 0 325.497 1.756 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884229693 598037353 /nfs/dbraw/zinc/03/73/53/598037353.db2.gz YAVBXMYHFRUQPQ-SFHVURJKSA-N 2 0 345.487 1.505 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000884243848 598041551 /nfs/dbraw/zinc/04/15/51/598041551.db2.gz QSLYPVBYGXFSGW-UHFFFAOYSA-N 2 0 326.400 1.578 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000884266065 598048416 /nfs/dbraw/zinc/04/84/16/598048416.db2.gz BXUSPNQKNJIPPG-UHFFFAOYSA-N 2 0 325.412 1.818 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884269908 598049257 /nfs/dbraw/zinc/04/92/57/598049257.db2.gz BRJKOOLFJCJIEA-ICCXJUOJSA-N 2 0 326.238 1.563 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]1 ZINC000884273818 598050643 /nfs/dbraw/zinc/05/06/43/598050643.db2.gz YOOKNFQQOIMWOU-JIMOISOXSA-N 2 0 326.238 1.706 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000884287568 598055384 /nfs/dbraw/zinc/05/53/84/598055384.db2.gz FWBJXSZIFLGFOG-NSHDSACASA-N 2 0 346.456 1.810 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000884336584 598073219 /nfs/dbraw/zinc/07/32/19/598073219.db2.gz SOZUHSBYPOEKSE-IRXDYDNUSA-N 2 0 343.475 1.095 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[C@@H]1C[NH3+] ZINC000884340105 598074927 /nfs/dbraw/zinc/07/49/27/598074927.db2.gz CMYYAXVZJXMEAS-SCDSUCTJSA-N 2 0 340.265 1.892 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000884374298 598085759 /nfs/dbraw/zinc/08/57/59/598085759.db2.gz LMHBWMCFDUHNCK-IBGZPJMESA-N 2 0 339.439 1.983 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040913601 699975982 /nfs/dbraw/zinc/97/59/82/699975982.db2.gz BTGCWKBXMAFYPD-IRXDYDNUSA-N 2 0 337.508 1.678 20 0 EDADRP CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001040747094 695241812 /nfs/dbraw/zinc/24/18/12/695241812.db2.gz LMPDHCUOJRQHPF-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C[C@H]1C ZINC000914171666 695250345 /nfs/dbraw/zinc/25/03/45/695250345.db2.gz KXCSBUFIRUGAPA-IKGGRYGDSA-N 2 0 343.537 1.607 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC000914179171 695258929 /nfs/dbraw/zinc/25/89/29/695258929.db2.gz CNRMWGOUGJDZPU-IKGGRYGDSA-N 2 0 343.537 1.464 20 0 EDADRP Cc1nccn1CCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914247647 695309531 /nfs/dbraw/zinc/30/95/31/695309531.db2.gz CEGQYBOUHCQZLA-LSDHHAIUSA-N 2 0 337.493 1.461 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)cc1 ZINC000992855478 695416033 /nfs/dbraw/zinc/41/60/33/695416033.db2.gz JOMGYXBPJQIFEL-OTWHNJEPSA-N 2 0 345.487 1.571 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CCn3cccn3)[C@@H]2C1 ZINC000992922389 695455343 /nfs/dbraw/zinc/45/53/43/695455343.db2.gz UAVQLWHPJSLHDM-KSZLIROESA-N 2 0 345.491 1.196 20 0 EDADRP C[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@@H]2CCCC[C@@H]12 ZINC000915208342 695763358 /nfs/dbraw/zinc/76/33/58/695763358.db2.gz FMIVOXJAYUDJBK-OWCLPIDISA-N 2 0 348.491 1.861 20 0 EDADRP O=C(NC1C[NH+](C[C@@H]2CCCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031233676 695925079 /nfs/dbraw/zinc/92/50/79/695925079.db2.gz NCTNKRGSYQIWIM-INIZCTEOSA-N 2 0 335.492 1.335 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[NH+](C[C@H]3CC(C)(C)CO3)C2)C1 ZINC001015710559 696648094 /nfs/dbraw/zinc/64/80/94/696648094.db2.gz NPTSHKNBLSRXAC-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(CN2CCC[C@@H](NC(=O)Cn3ccnc3C)[C@@H]2C)c(C)o1 ZINC000994421532 696842788 /nfs/dbraw/zinc/84/27/88/696842788.db2.gz MHZWFYFUBBCYOE-BLLLJJGKSA-N 2 0 345.447 1.966 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000919627076 697307359 /nfs/dbraw/zinc/30/73/59/697307359.db2.gz FDOOETZAYUGQBK-PMPSAXMXSA-N 2 0 338.521 1.350 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000919657233 697311637 /nfs/dbraw/zinc/31/16/37/697311637.db2.gz HRUFECWLGXNUGE-GOSISDBHSA-N 2 0 332.492 1.897 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920312178 697422188 /nfs/dbraw/zinc/42/21/88/697422188.db2.gz XBSMZAWNLGHFJH-ZNMIVQPWSA-N 2 0 326.554 1.911 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920758833 697475599 /nfs/dbraw/zinc/47/55/99/697475599.db2.gz NXQLTBURPDEXOF-KRWDZBQOSA-N 2 0 325.497 1.726 20 0 EDADRP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675188 697484802 /nfs/dbraw/zinc/48/48/02/697484802.db2.gz YOYLAEPNUBVTST-INIZCTEOSA-N 2 0 348.516 1.384 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031714745 697737576 /nfs/dbraw/zinc/73/75/76/697737576.db2.gz LYOATJKFLKKDED-HNNXBMFYSA-N 2 0 329.435 1.954 20 0 EDADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518493 698433638 /nfs/dbraw/zinc/43/36/38/698433638.db2.gz SWCYPMBICKOAOH-AEFFLSMTSA-N 2 0 347.507 1.851 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001032095387 698651190 /nfs/dbraw/zinc/65/11/90/698651190.db2.gz YBDQUNBJHGIGOI-QUCCMNQESA-N 2 0 349.519 1.581 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)CC[N@@H+]1C ZINC000940120264 700253811 /nfs/dbraw/zinc/25/38/11/700253811.db2.gz LPKXLKIBFDVBHB-ZIAGYGMSSA-N 2 0 336.505 1.954 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@H](C)C2)CC1 ZINC000947882372 699086126 /nfs/dbraw/zinc/08/61/26/699086126.db2.gz RKVBPKWIMPBROD-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000939063855 699131113 /nfs/dbraw/zinc/13/11/13/699131113.db2.gz NDDISDDHQKKTLM-QAPCUYQASA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939138239 699230464 /nfs/dbraw/zinc/23/04/64/699230464.db2.gz UWVAQTAVXDCXRF-CJNGLKHVSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941567599 701579909 /nfs/dbraw/zinc/57/99/09/701579909.db2.gz YGGBDPLXXXAYRF-MRXNPFEDSA-N 2 0 334.508 1.099 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncn2C)C1 ZINC001031802469 699364675 /nfs/dbraw/zinc/36/46/75/699364675.db2.gz RRZBTKDIPSLURD-KRWDZBQOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939258555 699436231 /nfs/dbraw/zinc/43/62/31/699436231.db2.gz RBLDBZAXNQHPEZ-UGSOOPFHSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1[NH2+]CCC1CC1 ZINC000939294424 699481624 /nfs/dbraw/zinc/48/16/24/699481624.db2.gz ZNHZJWSCFDTFDS-PBHICJAKSA-N 2 0 333.480 1.295 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)C1 ZINC000941615446 701597312 /nfs/dbraw/zinc/59/73/12/701597312.db2.gz XOWVBBYSLONVCF-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP CCOC1CC(C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001031817814 699536100 /nfs/dbraw/zinc/53/61/00/699536100.db2.gz VFOALUUTZHZUOK-UHFFFAOYSA-N 2 0 342.443 1.811 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1)[NH+]1CCCCC1 ZINC000994943520 699544231 /nfs/dbraw/zinc/54/42/31/699544231.db2.gz HUDORRISWVSREQ-CABCVRRESA-N 2 0 349.479 1.709 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939396488 699546471 /nfs/dbraw/zinc/54/64/71/699546471.db2.gz JDBFZVCHMJHANF-CRAIPNDOSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCCC1 ZINC000939424526 699574248 /nfs/dbraw/zinc/57/42/48/699574248.db2.gz XQMMRAIMWLGAIK-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939549758 699683219 /nfs/dbraw/zinc/68/32/19/699683219.db2.gz CLZBAHOATZUHCY-RHSMWYFYSA-N 2 0 346.475 1.624 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000939546817 699688946 /nfs/dbraw/zinc/68/89/46/699688946.db2.gz UKJFRKCNJKOFCD-WFASDCNBSA-N 2 0 334.489 1.484 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031838212 699802158 /nfs/dbraw/zinc/80/21/58/699802158.db2.gz PZYGTRVQZYPSGU-CYBMUJFWSA-N 2 0 331.395 1.677 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939755117 699906230 /nfs/dbraw/zinc/90/62/30/699906230.db2.gz PMWZRAIUAYNNEE-UKRRQHHQSA-N 2 0 336.867 1.767 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939756685 699923295 /nfs/dbraw/zinc/92/32/95/699923295.db2.gz VRTYOJPTKQQXOA-CXAGYDPISA-N 2 0 337.414 1.997 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001031849790 699933232 /nfs/dbraw/zinc/93/32/32/699933232.db2.gz AGUFXDOUWDTRFJ-QGZVFWFLSA-N 2 0 342.443 1.811 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939807883 699956782 /nfs/dbraw/zinc/95/67/82/699956782.db2.gz ASIPOXUHXXWYJF-MAUKXSAKSA-N 2 0 345.491 1.598 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000940148910 700281755 /nfs/dbraw/zinc/28/17/55/700281755.db2.gz FURIEVHPJIHDMS-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000940163296 700297891 /nfs/dbraw/zinc/29/78/91/700297891.db2.gz YOVSSCMCMODFSH-KRWDZBQOSA-N 2 0 347.507 1.842 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000940150578 700300366 /nfs/dbraw/zinc/30/03/66/700300366.db2.gz YDRMKJCQATXCFC-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940178051 700311454 /nfs/dbraw/zinc/31/14/54/700311454.db2.gz AUMPEKSRTHOAQI-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995166677 701629513 /nfs/dbraw/zinc/62/95/13/701629513.db2.gz GVNRJOYOSBQVRI-CVEARBPZSA-N 2 0 345.491 1.373 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995053579 700379504 /nfs/dbraw/zinc/37/95/04/700379504.db2.gz HVDRVGDGOUNRCI-HUUCEWRRSA-N 2 0 349.479 1.627 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000995053732 700401475 /nfs/dbraw/zinc/40/14/75/700401475.db2.gz ICQGMCHEQLABJI-HUUCEWRRSA-N 2 0 349.479 1.627 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000940247534 700412195 /nfs/dbraw/zinc/41/21/95/700412195.db2.gz HSCLRPDXYOQYET-UHFFFAOYSA-N 2 0 349.479 1.723 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1 ZINC000940247562 700412249 /nfs/dbraw/zinc/41/22/49/700412249.db2.gz IWSFOLZGWCGPBX-UHFFFAOYSA-N 2 0 348.495 1.160 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000940328905 700507600 /nfs/dbraw/zinc/50/76/00/700507600.db2.gz MYBONJWDJVYEEY-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000940328939 700507960 /nfs/dbraw/zinc/50/79/60/700507960.db2.gz OADZHJMCMZXMLU-CQSZACIVSA-N 2 0 349.479 1.587 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncc(OC)n2)CC1)[NH+](C)C ZINC000940335360 700515824 /nfs/dbraw/zinc/51/58/24/700515824.db2.gz ZOEPTQFPWBOUOF-HNNXBMFYSA-N 2 0 349.479 1.296 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC000995067930 700531511 /nfs/dbraw/zinc/53/15/11/700531511.db2.gz AYITVRIUNGFKKA-WBVHZDCISA-N 2 0 345.491 1.501 20 0 EDADRP Cn1ncnc1C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000940365917 700547496 /nfs/dbraw/zinc/54/74/96/700547496.db2.gz LGFHWUQFWWJNRK-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076016 700641507 /nfs/dbraw/zinc/64/15/07/700641507.db2.gz BTSHGRFCLRGWFX-HOCLYGCPSA-N 2 0 334.464 1.699 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940471976 700657291 /nfs/dbraw/zinc/65/72/91/700657291.db2.gz DTPBNIMWSLFZPG-HUUCEWRRSA-N 2 0 348.495 1.159 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940461986 700665485 /nfs/dbraw/zinc/66/54/85/700665485.db2.gz UYVAVVVTRMEROV-CQSZACIVSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC000995079154 700683588 /nfs/dbraw/zinc/68/35/88/700683588.db2.gz MLILJKGHWSBVCI-WBVHZDCISA-N 2 0 347.507 1.445 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940894861 700985925 /nfs/dbraw/zinc/98/59/25/700985925.db2.gz HULUFXCAFDUNPI-CZUORRHYSA-N 2 0 330.432 1.545 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@@H](CC)OC)C2)C1 ZINC001031919224 701044471 /nfs/dbraw/zinc/04/44/71/701044471.db2.gz OZXWLAOEDYPHSK-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031919618 701048790 /nfs/dbraw/zinc/04/87/90/701048790.db2.gz WVBCFQSGKBLBEA-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001031921866 701070248 /nfs/dbraw/zinc/07/02/48/701070248.db2.gz KHIOBANKEIYYHL-VQIMIIECSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032196 701073928 /nfs/dbraw/zinc/07/39/28/701073928.db2.gz GBRMZYKRVFOABR-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC2(C)C)cn1 ZINC000941090860 701133993 /nfs/dbraw/zinc/13/39/93/701133993.db2.gz KZLDIQVNYPHICU-QGZVFWFLSA-N 2 0 347.507 1.685 20 0 EDADRP C[C@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220482 701410900 /nfs/dbraw/zinc/41/09/00/701410900.db2.gz DYUQSMWFYXNATO-WBVHZDCISA-N 2 0 345.491 1.850 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236901 701427407 /nfs/dbraw/zinc/42/74/07/701427407.db2.gz CNVZHJFUZMMEMH-QAPCUYQASA-N 2 0 347.503 1.959 20 0 EDADRP C[C@@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518410 706602493 /nfs/dbraw/zinc/60/24/93/706602493.db2.gz UBLXQTCWHMZMFT-WCXIOVBPSA-N 2 0 325.472 1.999 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)s1 ZINC001031948118 701522750 /nfs/dbraw/zinc/52/27/50/701522750.db2.gz SMJSCWSMDLYGRP-UHFFFAOYSA-N 2 0 336.505 1.650 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461103 701544559 /nfs/dbraw/zinc/54/45/59/701544559.db2.gz YZGGOYRYVLVRND-SJLPKXTDSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC000999174399 706606061 /nfs/dbraw/zinc/60/60/61/706606061.db2.gz OSKRFKHMSFXVJM-RDJZCZTQSA-N 2 0 348.516 1.874 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001032129177 701813480 /nfs/dbraw/zinc/81/34/80/701813480.db2.gz RSKHOTTZLWXCGE-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001032129192 701813837 /nfs/dbraw/zinc/81/38/37/701813837.db2.gz RZRSUAAFJSRYIL-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(CN2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)sn1 ZINC001032134510 701891728 /nfs/dbraw/zinc/89/17/28/701891728.db2.gz XHEYDMLBVJWWPI-UHFFFAOYSA-N 2 0 345.472 1.774 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1 ZINC001032205643 702092210 /nfs/dbraw/zinc/09/22/10/702092210.db2.gz DKTIZTBXONGSKI-INIZCTEOSA-N 2 0 349.479 1.233 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001032206025 702122936 /nfs/dbraw/zinc/12/29/36/702122936.db2.gz PRHPEWUJXXBWGX-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1ccns1 ZINC000995817877 702134207 /nfs/dbraw/zinc/13/42/07/702134207.db2.gz ATYUGRYFZVQFKX-HOTGVXAUSA-N 2 0 348.516 1.812 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893091 702193521 /nfs/dbraw/zinc/19/35/21/702193521.db2.gz HEWZCRRPGKHLBL-GOEBONIOSA-N 2 0 333.480 1.087 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)c1 ZINC001032207694 702209023 /nfs/dbraw/zinc/20/90/23/702209023.db2.gz XQRSRQMBMYKJRY-MRXNPFEDSA-N 2 0 331.460 1.446 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cn(C)nc3C)C2)CC[N@@H+]1C ZINC000999204233 706649849 /nfs/dbraw/zinc/64/98/49/706649849.db2.gz DLBCZQACFDZYBC-OKZBNKHCSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)ncn1 ZINC000995930263 702260623 /nfs/dbraw/zinc/26/06/23/702260623.db2.gz ZYPLUXQMUWREAA-SJORKVTESA-N 2 0 347.507 1.698 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)on1 ZINC000995916032 702276761 /nfs/dbraw/zinc/27/67/61/702276761.db2.gz HSRTUXGXDAWDKY-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+]([C@H]3CCc4ccc(F)cc43)C2)C1 ZINC001032186901 702287882 /nfs/dbraw/zinc/28/78/82/702287882.db2.gz ZBWFECLUHPCNMR-YJBOKZPZSA-N 2 0 331.435 1.813 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995965504 702311437 /nfs/dbraw/zinc/31/14/37/702311437.db2.gz CGRSZUGHJOOMGU-HOTGVXAUSA-N 2 0 334.464 1.794 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2oc(C)nc2C)C(C)(C)C1)[NH+](C)C ZINC000995953377 702317763 /nfs/dbraw/zinc/31/77/63/702317763.db2.gz UWFOYXWVFVQUGL-ZBFHGGJFSA-N 2 0 336.480 1.958 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001032186449 702326313 /nfs/dbraw/zinc/32/63/13/702326313.db2.gz QLQXICLZROMMMN-HNNXBMFYSA-N 2 0 329.435 1.812 20 0 EDADRP Cc1cc(CN[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)no1 ZINC000995980234 702338797 /nfs/dbraw/zinc/33/87/97/702338797.db2.gz LEUYMGLTGMEZPH-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995974964 702360438 /nfs/dbraw/zinc/36/04/38/702360438.db2.gz IJVJYWVDTKLGKR-HZPDHXFCSA-N 2 0 333.480 1.194 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995994421 702372401 /nfs/dbraw/zinc/37/24/01/702372401.db2.gz DKJGZTAFMPCYRL-INIZCTEOSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@H]1C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169329 702410968 /nfs/dbraw/zinc/41/09/68/702410968.db2.gz OBLXAXYESIOFBY-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1C[N@H+](CCC(F)(F)F)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169663 702411809 /nfs/dbraw/zinc/41/18/09/702411809.db2.gz PCSODHJDLAGIHE-STQMWFEESA-N 2 0 333.398 1.861 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CC1 ZINC000996072560 702484644 /nfs/dbraw/zinc/48/46/44/702484644.db2.gz QEZARLBCSBPTOD-BHEGOAEISA-N 2 0 333.476 1.086 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549988 702537607 /nfs/dbraw/zinc/53/76/07/702537607.db2.gz GSHQUFOIPFAHNU-IAGOWNOFSA-N 2 0 347.507 1.421 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000999225697 706684252 /nfs/dbraw/zinc/68/42/52/706684252.db2.gz ZKFBPWWFRMVQBG-LRVUVFPRSA-N 2 0 348.495 1.628 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1 ZINC000996199455 702625745 /nfs/dbraw/zinc/62/57/45/702625745.db2.gz SPKIJWWKTNPDSH-GOEBONIOSA-N 2 0 349.475 1.818 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996242837 702647227 /nfs/dbraw/zinc/64/72/27/702647227.db2.gz ACPDDGMYWKNWHQ-HZPDHXFCSA-N 2 0 336.480 1.896 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996250165 702651938 /nfs/dbraw/zinc/65/19/38/702651938.db2.gz STKFTSCHXCUULC-INIZCTEOSA-N 2 0 333.480 1.089 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(CO)cc2)C1 ZINC000995207157 702663668 /nfs/dbraw/zinc/66/36/68/702663668.db2.gz DJLQWGOSWSGGLZ-RTBURBONSA-N 2 0 345.487 1.649 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300650 702692250 /nfs/dbraw/zinc/69/22/50/702692250.db2.gz NYSBMIFPPZNSJR-HOCLYGCPSA-N 2 0 333.480 1.231 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506361 702827375 /nfs/dbraw/zinc/82/73/75/702827375.db2.gz LJYNOEVTFYOURJ-CVEARBPZSA-N 2 0 325.497 1.460 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cc2cncn2C)CC1(C)C ZINC000996512126 702831284 /nfs/dbraw/zinc/83/12/84/702831284.db2.gz AWFWPTRGHXORQA-HNNXBMFYSA-N 2 0 344.463 1.206 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996533443 702847976 /nfs/dbraw/zinc/84/79/76/702847976.db2.gz CVNFDJROOVYPNB-UHFFFAOYSA-N 2 0 349.479 1.723 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000996520759 702856657 /nfs/dbraw/zinc/85/66/57/702856657.db2.gz QAHZSHPRVOOKJE-HZPDHXFCSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996607664 702911159 /nfs/dbraw/zinc/91/11/59/702911159.db2.gz DJVOSJSCSMNKBK-SJORKVTESA-N 2 0 330.476 1.668 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ncc(C4CC4)o3)CC2)CC[N@@H+]1C ZINC000996608631 702912061 /nfs/dbraw/zinc/91/20/61/702912061.db2.gz SVGDNRPKORMHLZ-CZUORRHYSA-N 2 0 346.475 1.973 20 0 EDADRP CCc1nc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)no1 ZINC000996604181 702913691 /nfs/dbraw/zinc/91/36/91/702913691.db2.gz SFMNLPPWFALZKW-LSDHHAIUSA-N 2 0 349.479 1.443 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)c1 ZINC000996612338 702917358 /nfs/dbraw/zinc/91/73/58/702917358.db2.gz QOIYARHCNZBUAZ-QGZVFWFLSA-N 2 0 346.475 1.513 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([NH2+]CCF)CC1 ZINC000996671589 702972494 /nfs/dbraw/zinc/97/24/94/702972494.db2.gz PCHOUPMFBGSFBC-INIZCTEOSA-N 2 0 327.444 1.180 20 0 EDADRP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000996672857 702973742 /nfs/dbraw/zinc/97/37/42/702973742.db2.gz RBKYJHZOELLUQN-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996676375 702975514 /nfs/dbraw/zinc/97/55/14/702975514.db2.gz HGTLBRHIMPMXPV-KDOFPFPSSA-N 2 0 345.491 1.767 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000996678991 702977723 /nfs/dbraw/zinc/97/77/23/702977723.db2.gz PGZXHJVFJGODPL-XHDPSFHLSA-N 2 0 334.468 1.095 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996692907 702990141 /nfs/dbraw/zinc/99/01/41/702990141.db2.gz ZXBPXMOZEOEFJZ-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996692870 702990207 /nfs/dbraw/zinc/99/02/07/702990207.db2.gz ZLFLHOBRKDMWMR-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996692867 702990250 /nfs/dbraw/zinc/99/02/50/702990250.db2.gz ZLFLHOBRKDMWMR-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)s2)CC1)[NH+](C)C ZINC000996713933 703009225 /nfs/dbraw/zinc/00/92/25/703009225.db2.gz ZBUSWCAIMZSQRI-BXUZGUMPSA-N 2 0 339.509 1.828 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996725136 703019605 /nfs/dbraw/zinc/01/96/05/703019605.db2.gz SCILXWGPXLUKAG-QGZVFWFLSA-N 2 0 331.464 1.350 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996798811 703084658 /nfs/dbraw/zinc/08/46/58/703084658.db2.gz PVBJRYSJQLTXQD-AWEZNQCLSA-N 2 0 328.416 1.565 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598058 703112764 /nfs/dbraw/zinc/11/27/64/703112764.db2.gz QTRKLSRTDKLSOC-RDTXWAMCSA-N 2 0 347.507 1.397 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H](C[NH2+]CC3CC3)[C@H](C(F)(F)F)C2)CC1 ZINC000996843464 703129887 /nfs/dbraw/zinc/12/98/87/703129887.db2.gz DTUPXKLMBNGWHU-LSDHHAIUSA-N 2 0 347.425 1.965 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnon3)CC2)C1 ZINC000996901802 703172046 /nfs/dbraw/zinc/17/20/46/703172046.db2.gz AXSUGYPOGSUYMC-AWEZNQCLSA-N 2 0 335.452 1.272 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC000996997642 703254540 /nfs/dbraw/zinc/25/45/40/703254540.db2.gz FFESDVWMRPSQNM-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000997002636 703259226 /nfs/dbraw/zinc/25/92/26/703259226.db2.gz XQPUCHCXGZAINS-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997004008 703260865 /nfs/dbraw/zinc/26/08/65/703260865.db2.gz BGZJEBTUDOMOTF-WMLDXEAASA-N 2 0 346.475 1.369 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1)[NH+](C)C ZINC000997016248 703274903 /nfs/dbraw/zinc/27/49/03/703274903.db2.gz UFFQLGMAPOXZDE-ROUUACIJSA-N 2 0 339.524 1.848 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000997184131 703466609 /nfs/dbraw/zinc/46/66/09/703466609.db2.gz MTRCHDURBGIQLW-NVXWUHKLSA-N 2 0 345.491 1.678 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000997190640 703474515 /nfs/dbraw/zinc/47/45/15/703474515.db2.gz BQEPFPUSBVPYGW-UHFFFAOYSA-N 2 0 343.471 1.872 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997278586 703536859 /nfs/dbraw/zinc/53/68/59/703536859.db2.gz BROCUNPLFGFWNP-CQSZACIVSA-N 2 0 337.464 1.818 20 0 EDADRP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001060822150 703537429 /nfs/dbraw/zinc/53/74/29/703537429.db2.gz SNOANXVTUGGBMP-SHTZXODSSA-N 2 0 349.479 1.004 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997300490 703544106 /nfs/dbraw/zinc/54/41/06/703544106.db2.gz WDOFSDVNICLRIS-QGZVFWFLSA-N 2 0 331.460 1.211 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997300747 703544270 /nfs/dbraw/zinc/54/42/70/703544270.db2.gz WTMARHJFUMKWFO-AWEZNQCLSA-N 2 0 332.448 1.584 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)co1 ZINC000997361610 703595674 /nfs/dbraw/zinc/59/56/74/703595674.db2.gz WSWKKVIPIKLGSB-OKILXGFUSA-N 2 0 334.464 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000997366709 703600807 /nfs/dbraw/zinc/60/08/07/703600807.db2.gz JZRJRTVOWPVMEF-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032433840 703612327 /nfs/dbraw/zinc/61/23/27/703612327.db2.gz SWVPRKUNXZPGOG-GBESFXJTSA-N 2 0 349.519 1.963 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)C1CCCCC1)C1CCC1 ZINC001032448048 703631625 /nfs/dbraw/zinc/63/16/25/703631625.db2.gz KYVJTIZJGWZIOF-FHWLQOOXSA-N 2 0 349.519 1.697 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(CO)cc1 ZINC001032479275 703714645 /nfs/dbraw/zinc/71/46/45/703714645.db2.gz LNHHOYPTAYGZAC-GBESFXJTSA-N 2 0 343.471 1.448 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCO1 ZINC001032499629 703810625 /nfs/dbraw/zinc/81/06/25/703810625.db2.gz DLOOXGFJDYWSKC-BZSNNMDCSA-N 2 0 340.427 1.802 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000997604746 703900941 /nfs/dbraw/zinc/90/09/41/703900941.db2.gz CFQXESNTDSTZDL-INIZCTEOSA-N 2 0 336.505 1.874 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997612023 703909559 /nfs/dbraw/zinc/90/95/59/703909559.db2.gz IXHUEGHQMBINHF-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004201429 703929495 /nfs/dbraw/zinc/92/94/95/703929495.db2.gz PKUKMALZAHOUMV-KRWDZBQOSA-N 2 0 346.475 1.206 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554335 703968969 /nfs/dbraw/zinc/96/89/69/703968969.db2.gz WGNYEDICBYQRKV-ZBFHGGJFSA-N 2 0 348.495 1.027 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032522621 703970683 /nfs/dbraw/zinc/97/06/83/703970683.db2.gz MZWRXXTZOGPYJV-COXVUDFISA-N 2 0 326.400 1.270 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccns3)C2)CC[N@@H+]1C ZINC001033092840 704169309 /nfs/dbraw/zinc/16/93/09/704169309.db2.gz WFBFCBFJWBYRRN-IJEWVQPXSA-N 2 0 336.505 1.559 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cncn3C)C2)CC[N@@H+]1C ZINC001033095978 704183280 /nfs/dbraw/zinc/18/32/80/704183280.db2.gz GRYKKLWHYBWOLF-BHYGNILZSA-N 2 0 333.480 1.183 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999303690 706797378 /nfs/dbraw/zinc/79/73/78/706797378.db2.gz IGOYQRUPGUVGEK-SJORKVTESA-N 2 0 333.480 1.375 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946592698 704230450 /nfs/dbraw/zinc/23/04/50/704230450.db2.gz USINFWYQICIKNQ-ZSYWTGECSA-N 2 0 349.519 1.414 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2ncc(C)o2)C1 ZINC000999303041 706806774 /nfs/dbraw/zinc/80/67/74/706806774.db2.gz HJJMTTUZQDFQLZ-CVEARBPZSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306674 706811573 /nfs/dbraw/zinc/81/15/73/706811573.db2.gz LDHNNVIZAKCBFY-DLBZAZTESA-N 2 0 333.480 1.375 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001004441230 704423730 /nfs/dbraw/zinc/42/37/30/704423730.db2.gz HMILWTYLHOSMHN-NXHRZFHOSA-N 2 0 337.508 1.676 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)C1CC1 ZINC001004457356 704450728 /nfs/dbraw/zinc/45/07/28/704450728.db2.gz KEIQMLWSHLGHME-ZWKOTPCHSA-N 2 0 337.508 1.412 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997723741 704619895 /nfs/dbraw/zinc/61/98/95/704619895.db2.gz WTKVZFXTNXOJBR-BQFCYCMXSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)CC[N@@H+]1C ZINC000997791955 704700287 /nfs/dbraw/zinc/70/02/87/704700287.db2.gz CANNKHOPEOTOLY-TZMCWYRMSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997831094 704751440 /nfs/dbraw/zinc/75/14/40/704751440.db2.gz QEOMDSYEZJHOMV-WBMJQRKESA-N 2 0 349.479 1.607 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)[nH]1 ZINC000997956544 705087059 /nfs/dbraw/zinc/08/70/59/705087059.db2.gz OOJLWSRUEYLIOQ-UHFFFAOYSA-N 2 0 348.495 1.316 20 0 EDADRP Cn1ncc(C[NH2+]CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000997957444 705088944 /nfs/dbraw/zinc/08/89/44/705088944.db2.gz YNEROXUWHIHHPP-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998005361 705163767 /nfs/dbraw/zinc/16/37/67/705163767.db2.gz AAYDQFLUQMJATH-IXDOHACOSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998076625 705296463 /nfs/dbraw/zinc/29/64/63/705296463.db2.gz BDTAQEDNULZBET-XJKSGUPXSA-N 2 0 336.505 1.669 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000998081228 705300913 /nfs/dbraw/zinc/30/09/13/705300913.db2.gz HETFICUWQAOHOR-UHFFFAOYSA-N 2 0 335.452 1.130 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000998080502 705306192 /nfs/dbraw/zinc/30/61/92/705306192.db2.gz BRTYVRPEBUOLMP-CXAGYDPISA-N 2 0 348.491 1.817 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000998082486 705309301 /nfs/dbraw/zinc/30/93/01/705309301.db2.gz PWJANGMZNBVRQE-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000998083064 705312059 /nfs/dbraw/zinc/31/20/59/705312059.db2.gz UJEFTRCCFQOFIG-LPHOPBHVSA-N 2 0 344.503 1.916 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998084093 705314506 /nfs/dbraw/zinc/31/45/06/705314506.db2.gz ZNYVIOMOMLUKIT-KBPBESRZSA-N 2 0 349.479 1.752 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)C1 ZINC000998215535 705536348 /nfs/dbraw/zinc/53/63/48/705536348.db2.gz ATXIEUYDLFOCIM-CQSZACIVSA-N 2 0 337.493 1.208 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1C ZINC000998221036 705545786 /nfs/dbraw/zinc/54/57/86/705545786.db2.gz ADWDXKIGQULXHU-UHFFFAOYSA-N 2 0 345.491 1.153 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998269293 705643294 /nfs/dbraw/zinc/64/32/94/705643294.db2.gz LYDSPMUHUOLQSF-UHFFFAOYSA-N 2 0 334.439 1.645 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)cn1 ZINC000998284419 705679513 /nfs/dbraw/zinc/67/95/13/705679513.db2.gz CJCZZTCTQANDTD-UHFFFAOYSA-N 2 0 347.507 1.624 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000998718538 706150175 /nfs/dbraw/zinc/15/01/75/706150175.db2.gz CHOHFNULHJYILF-GJZGRUSLSA-N 2 0 336.505 1.935 20 0 EDADRP CN(C)c1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000998721482 706157348 /nfs/dbraw/zinc/15/73/48/706157348.db2.gz MKSOMYLXGXICIE-IAGOWNOFSA-N 2 0 345.491 1.322 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998768970 706209018 /nfs/dbraw/zinc/20/90/18/706209018.db2.gz GZVIKKWJHMBQTB-UHFFFAOYSA-N 2 0 347.507 1.764 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998797480 706244693 /nfs/dbraw/zinc/24/46/93/706244693.db2.gz XBYVGNNBSGACTM-LHUBUQBQSA-N 2 0 346.475 1.509 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998981872 706401022 /nfs/dbraw/zinc/40/10/22/706401022.db2.gz XAJDAPCJPAYPOC-UHFFFAOYSA-N 2 0 345.491 1.375 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999034893 706449770 /nfs/dbraw/zinc/44/97/70/706449770.db2.gz GECIWHPZCJQVQX-DAWZGUTISA-N 2 0 347.507 1.620 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC(NCc2ccon2)C1 ZINC000999035810 706450535 /nfs/dbraw/zinc/45/05/35/706450535.db2.gz NERUMBKSIHSVEM-OFLPRAFFSA-N 2 0 334.464 1.874 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000999036798 706451900 /nfs/dbraw/zinc/45/19/00/706451900.db2.gz VLGJUYTUTYZNIZ-UYSNPLJNSA-N 2 0 348.495 1.015 20 0 EDADRP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)on1 ZINC000946517195 706520592 /nfs/dbraw/zinc/52/05/92/706520592.db2.gz BDQCCIUPHSPEOP-SOLBZPMBSA-N 2 0 346.475 1.748 20 0 EDADRP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999342750 706854667 /nfs/dbraw/zinc/85/46/67/706854667.db2.gz NLXJKCGUFXSFNI-UHFFFAOYSA-N 2 0 330.476 1.811 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999347245 706858507 /nfs/dbraw/zinc/85/85/07/706858507.db2.gz HUDVKIFGLPRRNF-MSOLQXFVSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)n1 ZINC000999373159 706867886 /nfs/dbraw/zinc/86/78/86/706867886.db2.gz FMIKHUZSQFPGNB-KRWDZBQOSA-N 2 0 347.507 1.565 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999403981 706912522 /nfs/dbraw/zinc/91/25/22/706912522.db2.gz YLFHMYIKFKVMIE-KBPBESRZSA-N 2 0 337.493 1.493 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999436203 706943735 /nfs/dbraw/zinc/94/37/35/706943735.db2.gz UVYFADIAJMHUDB-IRXDYDNUSA-N 2 0 335.496 1.395 20 0 EDADRP Cc1c(C(=O)N2CCC[C@H]([NH2+]C[C@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC000999563444 707059784 /nfs/dbraw/zinc/05/97/84/707059784.db2.gz SPJMSNKLMCUMKF-CVEARBPZSA-N 2 0 342.443 1.873 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572283 707078433 /nfs/dbraw/zinc/07/84/33/707078433.db2.gz CHENYJRFSFCZRU-QZTJIDSGSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1cnccn1 ZINC000999594509 707097632 /nfs/dbraw/zinc/09/76/32/707097632.db2.gz BALFLDPDHSFGIT-HZPDHXFCSA-N 2 0 343.475 1.747 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999686980 707239906 /nfs/dbraw/zinc/23/99/06/707239906.db2.gz CMKFKYDMKYIYEP-SYJJWHGVSA-N 2 0 345.491 1.250 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999703870 707292506 /nfs/dbraw/zinc/29/25/06/707292506.db2.gz HCVAHEONEAURBP-MRXNPFEDSA-N 2 0 338.415 1.425 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1)OC ZINC001033271275 707302986 /nfs/dbraw/zinc/30/29/86/707302986.db2.gz IKKCISMEZFAXGN-SJORKVTESA-N 2 0 330.432 1.906 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1)[NH+](C)C ZINC000946784374 707309336 /nfs/dbraw/zinc/30/93/36/707309336.db2.gz HXUIBGVTVTUGOF-NXOAAHMSSA-N 2 0 325.497 1.532 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033179811 707334923 /nfs/dbraw/zinc/33/49/23/707334923.db2.gz ABRCGPJHHAQKQD-GOSISDBHSA-N 2 0 349.519 1.822 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276740 707341384 /nfs/dbraw/zinc/34/13/84/707341384.db2.gz GCGOOUYEXKCJIX-VIHIWDAPSA-N 2 0 333.476 1.349 20 0 EDADRP C[C@H](C[NH2+]Cc1cccc(C(=O)N(C)C)c1)CN1CC[NH+](C)CC1 ZINC000921686722 707356842 /nfs/dbraw/zinc/35/68/42/707356842.db2.gz WVIVCOHRYGCTIX-MRXNPFEDSA-N 2 0 332.492 1.362 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999793582 707364685 /nfs/dbraw/zinc/36/46/85/707364685.db2.gz RDLSEXZEGKZLLT-QZTJIDSGSA-N 2 0 345.491 1.338 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794831 707365991 /nfs/dbraw/zinc/36/59/91/707365991.db2.gz WEQMARIMTLWZKR-FUHWJXTLSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033317583 707504678 /nfs/dbraw/zinc/50/46/78/707504678.db2.gz BOBZHUYMYWBBTE-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999871497 707514812 /nfs/dbraw/zinc/51/48/12/707514812.db2.gz MBPCHSFXDSLZHA-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999875866 707522083 /nfs/dbraw/zinc/52/20/83/707522083.db2.gz BYMZOKXPKXCENL-VMWRSERWSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000999876575 707523920 /nfs/dbraw/zinc/52/39/20/707523920.db2.gz OJRWBUYNMSLZCJ-VJFUWPCTSA-N 2 0 345.491 1.738 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004879943 707553081 /nfs/dbraw/zinc/55/30/81/707553081.db2.gz TWWYXHKXIKRNRT-CRAIPNDOSA-N 2 0 347.507 1.764 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999986957 707658706 /nfs/dbraw/zinc/65/87/06/707658706.db2.gz LAXNQVXYCZRFBA-SJORKVTESA-N 2 0 348.495 1.424 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999997947 707680320 /nfs/dbraw/zinc/68/03/20/707680320.db2.gz PIJOUZRQPMXMAQ-SJORKVTESA-N 2 0 348.495 1.426 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420519 707831896 /nfs/dbraw/zinc/83/18/96/707831896.db2.gz QDMNPGLXYIZESC-WBVHZDCISA-N 2 0 330.476 1.765 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420518 707832056 /nfs/dbraw/zinc/83/20/56/707832056.db2.gz QDMNPGLXYIZESC-RDJZCZTQSA-N 2 0 330.476 1.765 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCc3ccns3)C2)C1 ZINC001033421479 707834991 /nfs/dbraw/zinc/83/49/91/707834991.db2.gz YEMRCQPDLHNWHP-CABCVRRESA-N 2 0 336.505 1.560 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033426747 707849298 /nfs/dbraw/zinc/84/92/98/707849298.db2.gz UMVUKDCXPZPDPK-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1cnc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)cn1 ZINC001004990577 707851861 /nfs/dbraw/zinc/85/18/61/707851861.db2.gz IMLFKCQNKKWCTO-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1cnc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)cn1 ZINC001004990574 707851932 /nfs/dbraw/zinc/85/19/32/707851932.db2.gz IMLFKCQNKKWCTO-FUHWJXTLSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990657 707852725 /nfs/dbraw/zinc/85/27/25/707852725.db2.gz JENBRJWJLSMOIN-NVXWUHKLSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1cncc1CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032759563 707869614 /nfs/dbraw/zinc/86/96/14/707869614.db2.gz SOXKWKIUGSULDA-SZMVWBNQSA-N 2 0 346.475 1.455 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033229938 707888709 /nfs/dbraw/zinc/88/87/09/707888709.db2.gz XFKGNRBPZPGVRB-DLBZAZTESA-N 2 0 335.492 1.717 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)Cc3cnc[nH]3)C2)c1 ZINC001033457837 707907430 /nfs/dbraw/zinc/90/74/30/707907430.db2.gz DZDOIDQNZUHCAH-GOSISDBHSA-N 2 0 341.459 1.751 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033474660 707963911 /nfs/dbraw/zinc/96/39/11/707963911.db2.gz JGCZWUSMZCIRHF-QZTJIDSGSA-N 2 0 337.508 1.678 20 0 EDADRP CCc1cnc(CN2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005177741 708118961 /nfs/dbraw/zinc/11/89/61/708118961.db2.gz DGQDALXYIGZSGB-MRXNPFEDSA-N 2 0 334.464 1.754 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001033530506 708150909 /nfs/dbraw/zinc/15/09/09/708150909.db2.gz CNYPFEPBRLRZCN-DLBZAZTESA-N 2 0 325.497 1.676 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001033531541 708154737 /nfs/dbraw/zinc/15/47/37/708154737.db2.gz LONYVDWZTRVUKX-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCO)C[C@H]2C)o1 ZINC001044879203 708240603 /nfs/dbraw/zinc/24/06/03/708240603.db2.gz OLWIIJDLHJFOOJ-CABCVRRESA-N 2 0 337.464 1.696 20 0 EDADRP CC(C)=CC[NH+]1CCC(CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)CC1 ZINC001001756644 708280003 /nfs/dbraw/zinc/28/00/03/708280003.db2.gz GVUINPYCCLQLPP-GOSISDBHSA-N 2 0 337.508 1.890 20 0 EDADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757558 708281240 /nfs/dbraw/zinc/28/12/40/708281240.db2.gz VLFBQAWVISHMJJ-SJLPKXTDSA-N 2 0 339.524 1.970 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892403 708507844 /nfs/dbraw/zinc/50/78/44/708507844.db2.gz PELKFNPKNDPAPZ-SFHVURJKSA-N 2 0 335.492 1.763 20 0 EDADRP O=C(NCC1CC[NH+](CCc2ccns2)CC1)C12CC[NH+](CC1)C2 ZINC001002053934 708585792 /nfs/dbraw/zinc/58/57/92/708585792.db2.gz VEFUEOQRTIFYEY-UHFFFAOYSA-N 2 0 348.516 1.610 20 0 EDADRP CCc1nocc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121137 708635098 /nfs/dbraw/zinc/63/50/98/708635098.db2.gz OQDUJDIZDVRZMZ-HNNXBMFYSA-N 2 0 334.464 1.517 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033904309 709032318 /nfs/dbraw/zinc/03/23/18/709032318.db2.gz FMZMOZLIQKJSFD-SFANZJOMSA-N 2 0 347.503 1.573 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005476590 709113776 /nfs/dbraw/zinc/11/37/76/709113776.db2.gz OFFXNIFNNIYNFI-GOSISDBHSA-N 2 0 347.507 1.717 20 0 EDADRP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034008726 709219304 /nfs/dbraw/zinc/21/93/04/709219304.db2.gz BRYGHUNMLAGSRU-GDBMZVCRSA-N 2 0 343.431 1.185 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C1CC[NH+](CC2CC2)CC1 ZINC001005496773 709230714 /nfs/dbraw/zinc/23/07/14/709230714.db2.gz IKBQQMPHLSXJJK-LJQANCHMSA-N 2 0 349.519 1.963 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001034037723 709270326 /nfs/dbraw/zinc/27/03/26/709270326.db2.gz DWYPMUIRLXGSPB-QZTJIDSGSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000922013084 709425264 /nfs/dbraw/zinc/42/52/64/709425264.db2.gz XTEHRWWDRDUXGI-AWEZNQCLSA-N 2 0 348.520 1.659 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC001002835689 709447344 /nfs/dbraw/zinc/44/73/44/709447344.db2.gz ZXNSNHOZKQIKTG-IBGZPJMESA-N 2 0 342.487 1.812 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001034215307 709568625 /nfs/dbraw/zinc/56/86/25/709568625.db2.gz XTIOHJRJQUTYDL-JFIYKMOQSA-N 2 0 347.507 1.274 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034238867 709620641 /nfs/dbraw/zinc/62/06/41/709620641.db2.gz GHWDSXLAUGSBAL-SJORKVTESA-N 2 0 348.495 1.123 20 0 EDADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319110 709769099 /nfs/dbraw/zinc/76/90/99/709769099.db2.gz GRHKRHUCDAUGOO-AGYKMIKPSA-N 2 0 349.519 1.866 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CCCC[NH+](CCO)C2)C1 ZINC001034395733 709933863 /nfs/dbraw/zinc/93/38/63/709933863.db2.gz CAAVBIKRRGHSGO-WMLDXEAASA-N 2 0 329.460 1.162 20 0 EDADRP Cc1ncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001034524200 710173121 /nfs/dbraw/zinc/17/31/21/710173121.db2.gz DZBGEXZQVAUISG-CABCVRRESA-N 2 0 336.505 1.874 20 0 EDADRP CC[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333243 710257312 /nfs/dbraw/zinc/25/73/12/710257312.db2.gz QIUBSIBQXFKQPI-PSPFXIJKSA-N 2 0 335.492 1.476 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC001034607858 710280757 /nfs/dbraw/zinc/28/07/57/710280757.db2.gz UJZPPUREOIWNSJ-QBPKDAKJSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032841573 710321038 /nfs/dbraw/zinc/32/10/38/710321038.db2.gz GTZOHYZEFMGPIA-CGTJXYLNSA-N 2 0 331.460 1.395 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034649479 710325879 /nfs/dbraw/zinc/32/58/79/710325879.db2.gz XXSKJCRNRKHHOJ-ZOBUZTSGSA-N 2 0 332.448 1.533 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)OC ZINC001003491397 710374105 /nfs/dbraw/zinc/37/41/05/710374105.db2.gz DRSLSQKXBILMLB-ZOBUZTSGSA-N 2 0 325.497 1.722 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003547235 710413807 /nfs/dbraw/zinc/41/38/07/710413807.db2.gz JYRCGOUAGMQTAS-UHFFFAOYSA-N 2 0 348.491 1.968 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628675 710458709 /nfs/dbraw/zinc/45/87/09/710458709.db2.gz SRXWFPUAFQSQFW-KBXCAEBGSA-N 2 0 343.487 1.814 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001003734793 710516870 /nfs/dbraw/zinc/51/68/70/710516870.db2.gz ALDYHSHFXJSWNC-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC001034672018 710617922 /nfs/dbraw/zinc/61/79/22/710617922.db2.gz GVNQBQQQXZTYED-ZOBUZTSGSA-N 2 0 348.495 1.299 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001034722005 710888810 /nfs/dbraw/zinc/88/88/10/710888810.db2.gz UPIRWOZRYFDSOW-RCBQFDQVSA-N 2 0 348.495 1.533 20 0 EDADRP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001034721972 710888947 /nfs/dbraw/zinc/88/89/47/710888947.db2.gz TXYBDLNTTPHLEL-WKILWMFISA-N 2 0 348.495 1.157 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC001034735321 710920503 /nfs/dbraw/zinc/92/05/03/710920503.db2.gz FGEOVZWNVHPSFN-FZKCQIBNSA-N 2 0 348.495 1.377 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC001034777800 711054440 /nfs/dbraw/zinc/05/44/40/711054440.db2.gz BDNMPHDDJRMYSW-BZUAXINKSA-N 2 0 334.464 1.842 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC001034777391 711056370 /nfs/dbraw/zinc/05/63/70/711056370.db2.gz JSSAZVRJHNDWQS-BRSBDYLESA-N 2 0 349.519 1.914 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003969484 711117683 /nfs/dbraw/zinc/11/76/83/711117683.db2.gz XDPYQEQGVZCNBZ-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792128 711118384 /nfs/dbraw/zinc/11/83/84/711118384.db2.gz FSFNNFBBNZZEDK-IHRRRGAJSA-N 2 0 337.493 1.315 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792048 711118557 /nfs/dbraw/zinc/11/85/57/711118557.db2.gz CUVRZRWNNLBOKA-BZUAXINKSA-N 2 0 331.464 1.254 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001034793918 711125210 /nfs/dbraw/zinc/12/52/10/711125210.db2.gz VIDXTFPTMOMUDA-QEJZJMRPSA-N 2 0 335.452 1.552 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cn1 ZINC001034881290 711281313 /nfs/dbraw/zinc/28/13/13/711281313.db2.gz GRMYXCNOAXFALM-CVEARBPZSA-N 2 0 332.448 1.265 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005742885 711366355 /nfs/dbraw/zinc/36/63/55/711366355.db2.gz XADKBRDYGVSHLU-IPCDKGFNSA-N 2 0 347.503 1.573 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cs1 ZINC001034942893 711396245 /nfs/dbraw/zinc/39/62/45/711396245.db2.gz YEZCXFNUGJVAFV-DAXOMENPSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)cn1 ZINC001034957831 711430750 /nfs/dbraw/zinc/43/07/50/711430750.db2.gz LFJACDWHJCEJEH-QGZVFWFLSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1ccccc1OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004149198 711563540 /nfs/dbraw/zinc/56/35/40/711563540.db2.gz FZTXVDMCFBUMTF-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1)C1CC1 ZINC000946623513 711922969 /nfs/dbraw/zinc/92/29/69/711922969.db2.gz KUPDXGPWVDBELP-SOLBZPMBSA-N 2 0 346.475 1.685 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@@H](C)O)C[C@H]2CC1)[NH+](C)C ZINC000946633093 712054046 /nfs/dbraw/zinc/05/40/46/712054046.db2.gz HXDMHHDZUNVSGQ-NCOADZHNSA-N 2 0 325.497 1.124 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608414 712060975 /nfs/dbraw/zinc/06/09/75/712060975.db2.gz ZJJCNXKSXLJXLD-SJLPKXTDSA-N 2 0 349.519 1.820 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174201942 282116328 /nfs/dbraw/zinc/11/63/28/282116328.db2.gz GVAAWWIGKUMCOC-RTBURBONSA-N 2 0 342.487 1.815 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000173924434 231071726 /nfs/dbraw/zinc/07/17/26/231071726.db2.gz VXZNFDWYGJFMQR-UHFFFAOYSA-N 2 0 336.484 1.829 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000178875643 232566062 /nfs/dbraw/zinc/56/60/62/232566062.db2.gz ZDXORBUUAFGQSN-IBGZPJMESA-N 2 0 344.503 1.847 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000412423676 304006501 /nfs/dbraw/zinc/00/65/01/304006501.db2.gz UFGNPZBYSARSHU-WBVHZDCISA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000180996079 234055636 /nfs/dbraw/zinc/05/56/36/234055636.db2.gz LQQQYPSERHCJKU-IBGZPJMESA-N 2 0 346.475 1.126 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751374 306307815 /nfs/dbraw/zinc/30/78/15/306307815.db2.gz OIXBBMYBJNNHSM-ROUUACIJSA-N 2 0 344.459 1.415 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)C1 ZINC000345641281 535207708 /nfs/dbraw/zinc/20/77/08/535207708.db2.gz OMDPWIHWMQCQMV-IAGOWNOFSA-N 2 0 337.439 1.654 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000563114336 306318795 /nfs/dbraw/zinc/31/87/95/306318795.db2.gz YWARVOBFIOQGJJ-INIZCTEOSA-N 2 0 347.507 1.956 20 0 EDADRP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@@H](N4CCOCC4)CC3)cc12 ZINC000563548908 306338467 /nfs/dbraw/zinc/33/84/67/306338467.db2.gz ATVMORXWUYURBR-MRXNPFEDSA-N 2 0 329.448 1.953 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)NCCC[NH2+]C1CCCCC1 ZINC000079116363 138260387 /nfs/dbraw/zinc/26/03/87/138260387.db2.gz FUTULGVNQSRABW-UHFFFAOYSA-N 2 0 340.512 1.710 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)C[C@H](C)O1 ZINC000079953914 138263019 /nfs/dbraw/zinc/26/30/19/138263019.db2.gz OGTYAYACXGSJAO-IYBDPMFKSA-N 2 0 338.496 1.223 20 0 EDADRP CN1CCN(C(=O)C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)CC1 ZINC000093204700 138292523 /nfs/dbraw/zinc/29/25/23/138292523.db2.gz YYGTVVOWQTYHBR-UHFFFAOYSA-N 2 0 336.524 1.348 20 0 EDADRP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000120516402 138315863 /nfs/dbraw/zinc/31/58/63/138315863.db2.gz LMOORDPUNYYFHG-DLBZAZTESA-N 2 0 337.508 1.865 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000563601435 306341371 /nfs/dbraw/zinc/34/13/71/306341371.db2.gz HCAFIMOTQRSDSE-FUHWJXTLSA-N 2 0 338.496 1.415 20 0 EDADRP CCC[N@H+](CCOCCO)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000133105319 138388523 /nfs/dbraw/zinc/38/85/23/138388523.db2.gz CPKWDJYVVVXGME-UHFFFAOYSA-N 2 0 336.480 1.783 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)CC1 ZINC000563853227 306349728 /nfs/dbraw/zinc/34/97/28/306349728.db2.gz DQYWDZVRYSGJGD-CALCHBBNSA-N 2 0 328.460 1.626 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792197 296002235 /nfs/dbraw/zinc/00/22/35/296002235.db2.gz QXSAGPJINUDPNU-ROUUACIJSA-N 2 0 338.540 1.293 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000333890631 283540991 /nfs/dbraw/zinc/54/09/91/283540991.db2.gz YDCGZNATZZYLRO-OIPACUDHSA-N 2 0 349.500 1.689 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCC(C)CC3)C2)CC1 ZINC000107371592 219773182 /nfs/dbraw/zinc/77/31/82/219773182.db2.gz SBXJBXMRAIAHEV-ZWKOTPCHSA-N 2 0 336.524 1.345 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414068668 304099480 /nfs/dbraw/zinc/09/94/80/304099480.db2.gz IPWAIGVHVBALGO-DLBZAZTESA-N 2 0 334.508 1.884 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000566016924 306396641 /nfs/dbraw/zinc/39/66/41/306396641.db2.gz JWZBIQJCEOUIJN-QGZVFWFLSA-N 2 0 333.476 1.940 20 0 EDADRP COc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414480668 304117717 /nfs/dbraw/zinc/11/77/17/304117717.db2.gz JGUFFAWRWPLUHA-UHFFFAOYSA-N 2 0 333.476 1.581 20 0 EDADRP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CS1 ZINC000414488484 304118893 /nfs/dbraw/zinc/11/88/93/304118893.db2.gz UIJAWWAMJDMROJ-SJORKVTESA-N 2 0 341.565 1.903 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000566166566 306401285 /nfs/dbraw/zinc/40/12/85/306401285.db2.gz AQNBKDKPDJMLSI-OAHLLOKOSA-N 2 0 333.480 1.228 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337725073 296108663 /nfs/dbraw/zinc/10/86/63/296108663.db2.gz SMUXVBQMQSRIFN-PKOBYXMFSA-N 2 0 349.519 1.964 20 0 EDADRP COc1cccc2c1CC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414746201 304136343 /nfs/dbraw/zinc/13/63/43/304136343.db2.gz RUEMLUUOKYLOFP-OAHLLOKOSA-N 2 0 331.460 1.293 20 0 EDADRP COCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCSC1 ZINC000414761601 304138363 /nfs/dbraw/zinc/13/83/63/304138363.db2.gz JOXPLMPLVNMSOH-GJZGRUSLSA-N 2 0 329.510 1.028 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773534 304139491 /nfs/dbraw/zinc/13/94/91/304139491.db2.gz DNGHVYKPPNFLJG-HUUCEWRRSA-N 2 0 327.428 1.604 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773532 304139302 /nfs/dbraw/zinc/13/93/02/304139302.db2.gz DNGHVYKPPNFLJG-GJZGRUSLSA-N 2 0 327.428 1.604 20 0 EDADRP Oc1ccc(Br)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414781476 304140135 /nfs/dbraw/zinc/14/01/35/304140135.db2.gz MZXBZFIRRADQOL-UHFFFAOYSA-N 2 0 328.254 1.540 20 0 EDADRP Fc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1Br ZINC000414786056 304140639 /nfs/dbraw/zinc/14/06/39/304140639.db2.gz WLYDAIQFTRMNHQ-UHFFFAOYSA-N 2 0 330.245 1.973 20 0 EDADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414797720 304141973 /nfs/dbraw/zinc/14/19/73/304141973.db2.gz PLLVSNKAQAPHEY-UHFFFAOYSA-N 2 0 331.439 1.705 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC([NH3+])(CC)CC)CC1 ZINC000414804960 304142948 /nfs/dbraw/zinc/14/29/48/304142948.db2.gz FVAFFKYVXWCEMY-AWEZNQCLSA-N 2 0 341.496 1.674 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000566855998 306430817 /nfs/dbraw/zinc/43/08/17/306430817.db2.gz IUVJMTBIFWMMAM-SFHVURJKSA-N 2 0 330.476 1.017 20 0 EDADRP COc1ccc(CC[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)cc1S(N)(=O)=O ZINC000415091216 304158766 /nfs/dbraw/zinc/15/87/66/304158766.db2.gz PYXJLXFXSJRFQW-GXTWGEPZSA-N 2 0 341.477 1.005 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000415119088 304161299 /nfs/dbraw/zinc/16/12/99/304161299.db2.gz WVDRFCNAUAUQAG-HNNXBMFYSA-N 2 0 339.505 1.604 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415155992 304166996 /nfs/dbraw/zinc/16/69/96/304166996.db2.gz WFPIXEQRXYRZEM-YOEHRIQHSA-N 2 0 346.475 1.533 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236613994 139027014 /nfs/dbraw/zinc/02/70/14/139027014.db2.gz XXQVMMCMCSWGLH-KRWDZBQOSA-N 2 0 330.476 1.699 20 0 EDADRP COc1ccc([C@H]2[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000237384943 139049792 /nfs/dbraw/zinc/04/97/92/139049792.db2.gz GHFXQTWIFPDMBI-SZMVWBNQSA-N 2 0 331.460 1.946 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496172476 284349748 /nfs/dbraw/zinc/34/97/48/284349748.db2.gz RTFYFFCEGFWGNQ-OAGGEKHMSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000237507363 139052847 /nfs/dbraw/zinc/05/28/47/139052847.db2.gz VRWGJLCTTDUJLK-QFBILLFUSA-N 2 0 344.503 1.633 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262033874 284369347 /nfs/dbraw/zinc/36/93/47/284369347.db2.gz KEDSEOGJMPCPNY-ROUUACIJSA-N 2 0 330.476 1.186 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000237611236 139055667 /nfs/dbraw/zinc/05/56/67/139055667.db2.gz ZKHRYRJMLSBHKA-DAYGRLMNSA-N 2 0 331.460 1.316 20 0 EDADRP O=C(N1CC[NH+](CC2CC2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237905355 139063416 /nfs/dbraw/zinc/06/34/16/139063416.db2.gz JUOKJBFNOISLEV-UHFFFAOYSA-N 2 0 327.472 1.862 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826852 220199320 /nfs/dbraw/zinc/19/93/20/220199320.db2.gz VYHDVVBVXKRRPW-JKSUJKDBSA-N 2 0 328.501 1.373 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415239274 304177808 /nfs/dbraw/zinc/17/78/08/304177808.db2.gz NVEUZJBRNFODKD-ZIAGYGMSSA-N 2 0 334.464 1.881 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245454735 139075681 /nfs/dbraw/zinc/07/56/81/139075681.db2.gz SDNYGAANYRULES-GOEBONIOSA-N 2 0 332.448 1.284 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567817415 306464223 /nfs/dbraw/zinc/46/42/23/306464223.db2.gz MHOLXUNJUPAFFG-WMZOPIPTSA-N 2 0 337.508 1.628 20 0 EDADRP C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000246164401 139097284 /nfs/dbraw/zinc/09/72/84/139097284.db2.gz OVFHYGHCHUDYRK-BBWFWOEESA-N 2 0 325.497 1.866 20 0 EDADRP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NCC[C@@H](C)[NH3+])c2C1 ZINC000415376822 304208058 /nfs/dbraw/zinc/20/80/58/304208058.db2.gz NICRNWXICNPPBG-KGLIPLIRSA-N 2 0 346.475 1.839 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000247293552 139143733 /nfs/dbraw/zinc/14/37/33/139143733.db2.gz UGSRCLUPHMNLCF-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000248430297 139163379 /nfs/dbraw/zinc/16/33/79/139163379.db2.gz BPBHNYWFHBEXDM-QFBILLFUSA-N 2 0 347.503 1.990 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000360958870 284728268 /nfs/dbraw/zinc/72/82/68/284728268.db2.gz RNTZKFVQGISFBH-CABCVRRESA-N 2 0 338.496 1.807 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415411653 304216537 /nfs/dbraw/zinc/21/65/37/304216537.db2.gz BJIVXGAQNUEEIP-HNNXBMFYSA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264474078 284789419 /nfs/dbraw/zinc/78/94/19/284789419.db2.gz YLHHERSIKVUKNZ-MJGOQNOKSA-N 2 0 346.519 1.822 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000261622144 139212043 /nfs/dbraw/zinc/21/20/43/139212043.db2.gz GFBZPSXLBOTUIM-INIZCTEOSA-N 2 0 327.432 1.159 20 0 EDADRP CCNC(=O)COc1ccc(CN2CC[C@@](C)(C[NH3+])C2)cc1OC ZINC000261651224 139214495 /nfs/dbraw/zinc/21/44/95/139214495.db2.gz FCUCINZAYKTRPM-SFHVURJKSA-N 2 0 335.448 1.381 20 0 EDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674549 139216310 /nfs/dbraw/zinc/21/63/10/139216310.db2.gz MCOMGOCVZMJFAN-HUUCEWRRSA-N 2 0 332.448 1.176 20 0 EDADRP Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000261708881 139219533 /nfs/dbraw/zinc/21/95/33/139219533.db2.gz KFXYHWIRAJYZNT-KRWDZBQOSA-N 2 0 345.487 1.906 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000261715705 139219922 /nfs/dbraw/zinc/21/99/22/139219922.db2.gz LMUGRHDPKNYLAA-BRWVUGGUSA-N 2 0 343.537 1.701 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000261756726 139223581 /nfs/dbraw/zinc/22/35/81/139223581.db2.gz VITCVWDSZFUNFH-KRWDZBQOSA-N 2 0 340.427 1.104 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N(C)C[C@H]3CCC[NH2+]C3)C2=O)c1 ZINC000261792238 139226411 /nfs/dbraw/zinc/22/64/11/139226411.db2.gz GGTGRNDESOUQAA-KSSFIOAISA-N 2 0 347.459 1.741 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C1 ZINC000415460293 304223565 /nfs/dbraw/zinc/22/35/65/304223565.db2.gz AAAGYWAVSSIBOU-AWEZNQCLSA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C3([NH3+])CCOCC3)cc2)CC1 ZINC000261869692 139232846 /nfs/dbraw/zinc/23/28/46/139232846.db2.gz NYJPKLJEJIHHFJ-UHFFFAOYSA-N 2 0 346.475 1.271 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000261872350 139232916 /nfs/dbraw/zinc/23/29/16/139232916.db2.gz SMSNKDWKDLNEDY-MJGOQNOKSA-N 2 0 344.503 1.785 20 0 EDADRP CCC(CC)[C@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261908547 139235947 /nfs/dbraw/zinc/23/59/47/139235947.db2.gz WDZMDUVTJPMMKY-WBVHZDCISA-N 2 0 325.497 1.629 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261941131 139238742 /nfs/dbraw/zinc/23/87/42/139238742.db2.gz MXIZMADAMMPCDB-RCCFBDPRSA-N 2 0 331.460 1.335 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000261974007 139241049 /nfs/dbraw/zinc/24/10/49/139241049.db2.gz NIBGFGZQJRWYBG-XHDPSFHLSA-N 2 0 340.265 1.739 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000262033360 139245346 /nfs/dbraw/zinc/24/53/46/139245346.db2.gz XJYMPKJYWDRILL-QGZVFWFLSA-N 2 0 345.491 1.182 20 0 EDADRP [NH3+][C@@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046405 139246451 /nfs/dbraw/zinc/24/64/51/139246451.db2.gz QPFZBCRMXDCLEG-UONOGXRCSA-N 2 0 344.381 1.029 20 0 EDADRP O=C(CC[NH+]1CCC(C(=O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262048220 139246616 /nfs/dbraw/zinc/24/66/16/139246616.db2.gz IDHKALHFOOTBMI-UHFFFAOYSA-N 2 0 329.444 1.403 20 0 EDADRP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262089338 139249976 /nfs/dbraw/zinc/24/99/76/139249976.db2.gz GOUGOBRZRLIXCN-KRWDZBQOSA-N 2 0 329.423 1.695 20 0 EDADRP COc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262110174 139251666 /nfs/dbraw/zinc/25/16/66/139251666.db2.gz KHNGQPNLQAMTCP-QGZVFWFLSA-N 2 0 341.459 1.565 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128159 139253332 /nfs/dbraw/zinc/25/33/32/139253332.db2.gz CUEMRZGXOQOIOV-CRAIPNDOSA-N 2 0 349.450 1.785 20 0 EDADRP c1cnc(Oc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cn1 ZINC000262129473 139253370 /nfs/dbraw/zinc/25/33/70/139253370.db2.gz NSJUDLKFHFASIN-QGZVFWFLSA-N 2 0 339.443 1.748 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000415436402 250935960 /nfs/dbraw/zinc/93/59/60/250935960.db2.gz KAKBPWSFWHZDIS-GDBMZVCRSA-N 2 0 346.475 1.315 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000262131242 139253611 /nfs/dbraw/zinc/25/36/11/139253611.db2.gz NZLUSGCYUMZJKX-MSOLQXFVSA-N 3 0 336.524 1.395 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000415480227 250965532 /nfs/dbraw/zinc/96/55/32/250965532.db2.gz HAKXXYDKODXPID-UHFFFAOYSA-N 2 0 348.491 1.910 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000415547170 251002122 /nfs/dbraw/zinc/00/21/22/251002122.db2.gz YWSXABULVFEPTI-HOCLYGCPSA-N 2 0 346.475 1.663 20 0 EDADRP COc1ccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262224091 139261373 /nfs/dbraw/zinc/26/13/73/139261373.db2.gz UUVPQZPFHNOTTN-INIZCTEOSA-N 2 0 347.459 1.663 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(F)(F)F ZINC000416011803 251046130 /nfs/dbraw/zinc/04/61/30/251046130.db2.gz SAJNLMFQGAGVGC-OLZOCXBDSA-N 2 0 336.402 1.830 20 0 EDADRP Cc1cccc(C)c1OCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000262246301 139263241 /nfs/dbraw/zinc/26/32/41/139263241.db2.gz WNXVAKKPNSPPML-SFHVURJKSA-N 2 0 345.487 1.826 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000415572951 304228734 /nfs/dbraw/zinc/22/87/34/304228734.db2.gz VAJSKTBOBAITJB-HIFRSBDPSA-N 2 0 332.448 1.191 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000415572996 304228826 /nfs/dbraw/zinc/22/88/26/304228826.db2.gz VBINPHAHTLAEJS-KGLIPLIRSA-N 2 0 332.448 1.204 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416795510 251110741 /nfs/dbraw/zinc/11/07/41/251110741.db2.gz UFPGIDVIRICVIQ-ROUUACIJSA-N 2 0 342.487 1.902 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000416877770 251116143 /nfs/dbraw/zinc/11/61/43/251116143.db2.gz WTZVFIKGSXJCBN-IRXDYDNUSA-N 2 0 334.464 1.342 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000417008734 251129284 /nfs/dbraw/zinc/12/92/84/251129284.db2.gz JETBAJORKGVRRJ-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417013586 251131911 /nfs/dbraw/zinc/13/19/11/251131911.db2.gz YUCLVOWXZCEZSG-NVXWUHKLSA-N 2 0 330.476 1.814 20 0 EDADRP CC[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417020159 251134097 /nfs/dbraw/zinc/13/40/97/251134097.db2.gz RRRFTIDZBWKLQH-YJBOKZPZSA-N 2 0 330.476 1.814 20 0 EDADRP CN(C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417020460 251136224 /nfs/dbraw/zinc/13/62/24/251136224.db2.gz JBWBNOKOPSHSTK-UHFFFAOYSA-N 2 0 330.476 1.828 20 0 EDADRP COCC1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000417002639 251126959 /nfs/dbraw/zinc/12/69/59/251126959.db2.gz AUAACJOAUYQUKT-HOTGVXAUSA-N 2 0 340.512 1.422 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417543657 251185499 /nfs/dbraw/zinc/18/54/99/251185499.db2.gz GBUWLSLMSGKYNP-KGLIPLIRSA-N 2 0 326.485 1.255 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000262359950 139272955 /nfs/dbraw/zinc/27/29/55/139272955.db2.gz KERVWULTINZBGM-QGZVFWFLSA-N 2 0 349.500 1.595 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000417595211 251202347 /nfs/dbraw/zinc/20/23/47/251202347.db2.gz XRAORLDUTDTDKU-RDJZCZTQSA-N 2 0 334.464 1.185 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417647082 251211872 /nfs/dbraw/zinc/21/18/72/251211872.db2.gz DYALWVGJSJHMJP-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP COCC1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]CC1 ZINC000262394293 139275921 /nfs/dbraw/zinc/27/59/21/139275921.db2.gz QASJGTQCOXFNPW-IYBDPMFKSA-N 2 0 341.496 1.008 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417633378 251210189 /nfs/dbraw/zinc/21/01/89/251210189.db2.gz YBFDUOQQLSNLHL-AWEZNQCLSA-N 2 0 328.526 1.727 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417683474 251226530 /nfs/dbraw/zinc/22/65/30/251226530.db2.gz NDIQZYIBPPXXBD-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000417723254 251243626 /nfs/dbraw/zinc/24/36/26/251243626.db2.gz ZWTVIJFIWGGYHE-DLBZAZTESA-N 2 0 340.512 1.790 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417793574 251272480 /nfs/dbraw/zinc/27/24/80/251272480.db2.gz LPQADTWSQRZJEW-KSZLIROESA-N 2 0 334.508 1.892 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417802787 251277384 /nfs/dbraw/zinc/27/73/84/251277384.db2.gz DXSNZNQEEKZOCG-JKSUJKDBSA-N 2 0 340.512 1.502 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000417813084 251280951 /nfs/dbraw/zinc/28/09/51/251280951.db2.gz QTNVBOHFHAODNX-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP CC[C@H](NC(=O)NCCC[NH2+]C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000417887624 251314342 /nfs/dbraw/zinc/31/43/42/251314342.db2.gz IGQDGMKSFBRQFV-ROUUACIJSA-N 2 0 348.491 1.575 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944550 251317078 /nfs/dbraw/zinc/31/70/78/251317078.db2.gz CMBYTUFZWAXNLI-GLQYFDAESA-N 2 0 326.391 1.747 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108807 251325288 /nfs/dbraw/zinc/32/52/88/251325288.db2.gz SDWSEUOWZAPNJJ-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000262518722 139283833 /nfs/dbraw/zinc/28/38/33/139283833.db2.gz KNCYUUMHCYRYAV-GOSISDBHSA-N 2 0 331.460 1.188 20 0 EDADRP C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000417860668 251302440 /nfs/dbraw/zinc/30/24/40/251302440.db2.gz VXIITRRMRTWMRF-IMJJTQAJSA-N 2 0 340.512 1.501 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418128212 251336689 /nfs/dbraw/zinc/33/66/89/251336689.db2.gz AGJMIGFVRPQQCU-CEXWTWQISA-N 2 0 342.487 1.758 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[C@H](C)[NH3+] ZINC000262523704 139284217 /nfs/dbraw/zinc/28/42/17/139284217.db2.gz JQIQKZMKZORZLA-CVEARBPZSA-N 2 0 348.491 1.259 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[C@H](C)[NH3+] ZINC000262524849 139284260 /nfs/dbraw/zinc/28/42/60/139284260.db2.gz KGTPTQWICHJBAD-VNHYZAJKSA-N 2 0 332.448 1.306 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000418202076 251355674 /nfs/dbraw/zinc/35/56/74/251355674.db2.gz IMDBKZUTQUNBAB-IAOVAPTHSA-N 2 0 334.464 1.390 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418199232 251355709 /nfs/dbraw/zinc/35/57/09/251355709.db2.gz WPVSAOLEORGRNM-MRXNPFEDSA-N 2 0 349.479 1.353 20 0 EDADRP C[NH2+]CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418305644 251357703 /nfs/dbraw/zinc/35/77/03/251357703.db2.gz IIGHQAVKYXSOIH-DOMZBBRYSA-N 2 0 326.391 1.319 20 0 EDADRP C[NH2+]CCNC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000418319137 251359736 /nfs/dbraw/zinc/35/97/36/251359736.db2.gz QQGDNTZHPWRHCT-UHFFFAOYSA-N 2 0 326.444 1.886 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418345790 251361773 /nfs/dbraw/zinc/36/17/73/251361773.db2.gz SZOFHOULVYIKRX-SJLPKXTDSA-N 2 0 345.491 1.830 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418347672 251361905 /nfs/dbraw/zinc/36/19/05/251361905.db2.gz QTFMDPIEIXIKJI-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418385492 251363970 /nfs/dbraw/zinc/36/39/70/251363970.db2.gz LNYUDCMTXOLVMU-INIZCTEOSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418405368 251365414 /nfs/dbraw/zinc/36/54/14/251365414.db2.gz KZBRMKIYZSXZKS-WQVCFCJDSA-N 2 0 340.418 1.693 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000419143499 251480327 /nfs/dbraw/zinc/48/03/27/251480327.db2.gz DNXXJROOUKQFSV-QGZVFWFLSA-N 2 0 346.475 1.103 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)cc1 ZINC000262633468 139291762 /nfs/dbraw/zinc/29/17/62/139291762.db2.gz HOEACDKKPCOOFB-HOTGVXAUSA-N 2 0 346.475 1.824 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000262793827 139304066 /nfs/dbraw/zinc/30/40/66/139304066.db2.gz DKJWYCWQYSFMFQ-MRXNPFEDSA-N 2 0 335.448 1.772 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000121272422 296329467 /nfs/dbraw/zinc/32/94/67/296329467.db2.gz LRBPASQRCQPWCL-ZBFHGGJFSA-N 2 0 331.526 1.558 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000422892676 252013586 /nfs/dbraw/zinc/01/35/86/252013586.db2.gz ZEFJLWSSTDIQNS-KBXCAEBGSA-N 2 0 331.460 1.966 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902277 252017302 /nfs/dbraw/zinc/01/73/02/252017302.db2.gz MPUXAODWFXYPGI-UXLLHSPISA-N 2 0 347.459 1.418 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176325 252042377 /nfs/dbraw/zinc/04/23/77/252042377.db2.gz GRGSQMZVFCMHJC-UYAOXDASSA-N 2 0 330.520 1.782 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CC2(C[NH3+])CC2)CC1 ZINC000423357780 252052405 /nfs/dbraw/zinc/05/24/05/252052405.db2.gz ARPYCFRHSDKZDV-UHFFFAOYSA-N 2 0 344.459 1.532 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423484424 252054584 /nfs/dbraw/zinc/05/45/84/252054584.db2.gz RBDDTTXMQLPOTD-HIFRSBDPSA-N 2 0 325.478 1.778 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)c2c[nH+]ccc2N)CC1 ZINC000423855870 252092330 /nfs/dbraw/zinc/09/23/30/252092330.db2.gz WHGJKPGAPIOKAD-CYBMUJFWSA-N 2 0 325.416 1.845 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424024318 252117539 /nfs/dbraw/zinc/11/75/39/252117539.db2.gz XDFCMZYCKHTDIQ-WMZOPIPTSA-N 3 0 344.503 1.484 20 0 EDADRP Cn1cncc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424024692 252118014 /nfs/dbraw/zinc/11/80/14/252118014.db2.gz XOACUGHFMJNQBE-UHFFFAOYSA-N 2 0 327.432 1.143 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424150908 252145523 /nfs/dbraw/zinc/14/55/23/252145523.db2.gz ZVUPXBDZVJZHCS-HUUCEWRRSA-N 2 0 333.480 1.681 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424199520 252159947 /nfs/dbraw/zinc/15/99/47/252159947.db2.gz YVYXZKYSDBJRQU-XHSDSOJGSA-N 2 0 345.491 1.349 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424221266 252167388 /nfs/dbraw/zinc/16/73/88/252167388.db2.gz GQBVBXBTHUMCNE-KRWDZBQOSA-N 2 0 339.443 1.740 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424136356 252137564 /nfs/dbraw/zinc/13/75/64/252137564.db2.gz AKEMSPQAQZXUFL-CVEARBPZSA-N 2 0 345.491 1.681 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000424464588 252238997 /nfs/dbraw/zinc/23/89/97/252238997.db2.gz ITLLZMJPKGCHMN-XJKSGUPXSA-N 2 0 332.448 1.333 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899666 252313094 /nfs/dbraw/zinc/31/30/94/252313094.db2.gz LPUOLLPXXNWITI-UHFFFAOYSA-N 3 0 349.523 1.505 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458370429 285022974 /nfs/dbraw/zinc/02/29/74/285022974.db2.gz PFHNWPYANGXLNH-SJLPKXTDSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC(C)(C)C2)C1 ZINC000112701950 220378382 /nfs/dbraw/zinc/37/83/82/220378382.db2.gz JBDSJMDUYKGIKW-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415707544 304260352 /nfs/dbraw/zinc/26/03/52/304260352.db2.gz WKHTVJHBMLJEPV-CABCVRRESA-N 2 0 346.475 1.581 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073217068 285204226 /nfs/dbraw/zinc/20/42/26/285204226.db2.gz UHNONSVLGFUGEI-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000486947040 255020401 /nfs/dbraw/zinc/02/04/01/255020401.db2.gz QXJOEBLTSGVGPI-IAGOWNOFSA-N 2 0 338.496 1.149 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487574957 255033094 /nfs/dbraw/zinc/03/30/94/255033094.db2.gz PUZOXVFOGXNDPC-DLBZAZTESA-N 2 0 340.512 1.395 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489034670 255062461 /nfs/dbraw/zinc/06/24/61/255062461.db2.gz CBMOOPRHXDFYPT-BBWFWOEESA-N 2 0 325.497 1.769 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000490623098 255096048 /nfs/dbraw/zinc/09/60/48/255096048.db2.gz DSZUVQQFLADOCB-QGZVFWFLSA-N 2 0 337.489 1.465 20 0 EDADRP COc1ccc([C@@H](CNC(=O)/C=C/C[NH+](C)C)N2CCOCC2)cc1 ZINC000491639316 255135667 /nfs/dbraw/zinc/13/56/67/255135667.db2.gz IUBLJIYTAFSJGE-SHCNBLLESA-N 2 0 347.459 1.303 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)/C=C\C[NH+](C)C)CC1 ZINC000491848817 255152170 /nfs/dbraw/zinc/15/21/70/255152170.db2.gz UGZRPGKSDDMLRB-YFHOEESVSA-N 2 0 344.503 1.558 20 0 EDADRP C[C@]1(CO)CCC[C@@H]1[NH2+]CCOCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493541605 255214475 /nfs/dbraw/zinc/21/44/75/255214475.db2.gz GLQXKOFCGWIDHM-WNRNVDISSA-N 2 0 328.497 1.284 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000495009497 255265500 /nfs/dbraw/zinc/26/55/00/255265500.db2.gz AVJLNYMMZNVWMK-CVEARBPZSA-N 2 0 341.496 1.822 20 0 EDADRP C[C@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000495155338 255270845 /nfs/dbraw/zinc/27/08/45/255270845.db2.gz ZHTCBDIFHPCNEG-OAOYMFHYSA-N 2 0 327.472 1.664 20 0 EDADRP CN(C[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000496177383 255361787 /nfs/dbraw/zinc/36/17/87/255361787.db2.gz WMJQWKJZWHOLCT-HNNXBMFYSA-N 2 0 329.485 1.536 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118116614 221122025 /nfs/dbraw/zinc/12/20/25/221122025.db2.gz GSYBEAVXDFQUPH-OAHLLOKOSA-N 2 0 348.491 1.576 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C2)CC1 ZINC000360137163 285333582 /nfs/dbraw/zinc/33/35/82/285333582.db2.gz RYULSCMFVKRWMT-DLBZAZTESA-N 2 0 339.528 1.137 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000296176971 258011031 /nfs/dbraw/zinc/01/10/31/258011031.db2.gz MQSDQNLDKVKAQX-ZWKOTPCHSA-N 2 0 346.475 1.321 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cncc(Br)c1 ZINC000570828326 306552021 /nfs/dbraw/zinc/55/20/21/306552021.db2.gz ZBXFPVXFKPUIJP-LLVKDONJSA-N 2 0 328.254 1.951 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@H](O)C[NH+]1CCCCC1 ZINC000416179537 304293247 /nfs/dbraw/zinc/29/32/47/304293247.db2.gz PZMIZGZCVCEDNE-IBGZPJMESA-N 2 0 345.487 1.398 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000271145514 140245954 /nfs/dbraw/zinc/24/59/54/140245954.db2.gz TURLXYMJNUCZMZ-HKUYNNGSSA-N 2 0 345.487 1.736 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000416303569 304307242 /nfs/dbraw/zinc/30/72/42/304307242.db2.gz YAGGQDOPTOXVBS-IAGOWNOFSA-N 2 0 327.513 1.802 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000332506446 141192818 /nfs/dbraw/zinc/19/28/18/141192818.db2.gz KOWIKDZWGROVSE-HLLBOEOZSA-N 2 0 338.496 1.256 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000333166687 141274804 /nfs/dbraw/zinc/27/48/04/141274804.db2.gz HMAUMAYIWNNYLV-DODZYUBVSA-N 2 0 335.492 1.511 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000333229456 141284429 /nfs/dbraw/zinc/28/44/29/141284429.db2.gz BPJPFXAQBKMJLH-SJORKVTESA-N 2 0 337.489 1.618 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481116 141324363 /nfs/dbraw/zinc/32/43/63/141324363.db2.gz CBXQCJMYNORVAY-ZOBUZTSGSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H](NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccs1 ZINC000333828617 141389405 /nfs/dbraw/zinc/38/94/05/141389405.db2.gz JANCRCBUCWBPEZ-KFWWJZLASA-N 2 0 349.500 1.626 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000333856224 141395454 /nfs/dbraw/zinc/39/54/54/141395454.db2.gz ORBDBQIGXBMDLU-XLIONFOSSA-N 2 0 343.471 1.794 20 0 EDADRP Cc1ccc(NC(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)c1 ZINC000333877087 141399917 /nfs/dbraw/zinc/39/99/17/141399917.db2.gz TUECWEJZSJCENN-AEFFLSMTSA-N 2 0 343.471 1.942 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000416795905 285689752 /nfs/dbraw/zinc/68/97/52/285689752.db2.gz VDNJFEGQGNWRBD-UONOGXRCSA-N 2 0 326.485 1.443 20 0 EDADRP CC(C)C[C@@H]1C(=O)NCCC[N@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000339275305 142000412 /nfs/dbraw/zinc/00/04/12/142000412.db2.gz ZMLXWLDKMORRMB-GOSISDBHSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH2+][C@H](C)Cc1noc(CCC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000339369874 142029167 /nfs/dbraw/zinc/02/91/67/142029167.db2.gz NQBOLTJJDYRJOK-MRXNPFEDSA-N 2 0 343.475 1.975 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCCCOc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000339408775 142040069 /nfs/dbraw/zinc/04/00/69/142040069.db2.gz VLKFBHGPANQXQR-SFHVURJKSA-N 2 0 345.487 1.989 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000342702301 142747302 /nfs/dbraw/zinc/74/73/02/142747302.db2.gz JJJFOGINXNGIML-HOTGVXAUSA-N 2 0 333.432 1.220 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069459 143046554 /nfs/dbraw/zinc/04/65/54/143046554.db2.gz RJKPXZIWRSDELO-JFIYKMOQSA-N 2 0 333.501 1.985 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCSCC2)[C@@H](C)C1 ZINC000346620965 143222921 /nfs/dbraw/zinc/22/29/21/143222921.db2.gz RVAYAVPRDOIWKM-DLBZAZTESA-N 2 0 329.554 1.762 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346653783 143226858 /nfs/dbraw/zinc/22/68/58/143226858.db2.gz FIZQRSJOGNSTCO-UHFFFAOYSA-N 2 0 349.475 1.483 20 0 EDADRP COc1cc2c(c(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347142644 143287079 /nfs/dbraw/zinc/28/70/79/143287079.db2.gz WYHKZDBJGXVGSE-UONOGXRCSA-N 2 0 347.459 1.306 20 0 EDADRP CC[N@@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000347414215 143318300 /nfs/dbraw/zinc/31/83/00/143318300.db2.gz FJQUPEMDWQLJDK-IHPCNDPISA-N 2 0 331.504 1.943 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000347916137 143378769 /nfs/dbraw/zinc/37/87/69/143378769.db2.gz OXRGWKOCWNRWHA-UHFFFAOYSA-N 2 0 347.507 1.637 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000347983598 143387351 /nfs/dbraw/zinc/38/73/51/143387351.db2.gz BRSJBOVCRMQQBN-PMPSAXMXSA-N 2 0 325.497 1.865 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000416560997 304331876 /nfs/dbraw/zinc/33/18/76/304331876.db2.gz SRGZZSAJHYXYJE-UHFFFAOYSA-N 2 0 347.550 1.783 20 0 EDADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cn1 ZINC000352784371 149164729 /nfs/dbraw/zinc/16/47/29/149164729.db2.gz TVRARBGVZDDZIY-KRWDZBQOSA-N 2 0 338.471 1.652 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353240835 149336153 /nfs/dbraw/zinc/33/61/53/149336153.db2.gz UXCDILIQLXOLQU-HNNXBMFYSA-N 2 0 328.501 1.251 20 0 EDADRP Cc1nc2ccccc2n1CCC(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000353335149 149369627 /nfs/dbraw/zinc/36/96/27/149369627.db2.gz JAODGZOAUFYFGA-LSDHHAIUSA-N 2 0 344.459 1.960 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000416968659 304357068 /nfs/dbraw/zinc/35/70/68/304357068.db2.gz JLTJSTWSZOISPK-HZPDHXFCSA-N 2 0 334.464 1.554 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000416970808 304357574 /nfs/dbraw/zinc/35/75/74/304357574.db2.gz OFMAVMNDCKSEPD-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C[NH3+] ZINC000416973705 304358564 /nfs/dbraw/zinc/35/85/64/304358564.db2.gz KDNUQWGGFNHURJ-CVEARBPZSA-N 2 0 345.491 1.672 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000416980216 304360531 /nfs/dbraw/zinc/36/05/31/304360531.db2.gz YICBVESTSBVXSX-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000355082499 150107997 /nfs/dbraw/zinc/10/79/97/150107997.db2.gz MQWAFJWTQOLTFJ-PBHICJAKSA-N 2 0 334.464 1.003 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000416983598 304361339 /nfs/dbraw/zinc/36/13/39/304361339.db2.gz XKZWEEGKBKGKFE-CRAIPNDOSA-N 2 0 345.491 1.815 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416984911 304361393 /nfs/dbraw/zinc/36/13/93/304361393.db2.gz YDVQNOOEINRJDK-INIZCTEOSA-N 2 0 332.492 1.848 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000355442236 150269378 /nfs/dbraw/zinc/26/93/78/150269378.db2.gz LKUPVQIYGDMBFE-ZIAGYGMSSA-N 2 0 334.489 1.756 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417030987 304362814 /nfs/dbraw/zinc/36/28/14/304362814.db2.gz PXPYWTDNWOEZLA-CRAIPNDOSA-N 2 0 330.476 1.861 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)N2CCCCC2)C1 ZINC000355730769 150378447 /nfs/dbraw/zinc/37/84/47/150378447.db2.gz GPLAVQLTXMBULH-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417038064 304364295 /nfs/dbraw/zinc/36/42/95/304364295.db2.gz UJOKFCUYJFSDHH-JKSUJKDBSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417045108 304365950 /nfs/dbraw/zinc/36/59/50/304365950.db2.gz YVQLGWXWUSVWMZ-MJBXVCDLSA-N 2 0 332.439 1.651 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC(C)(C)C[NH3+])CC2)c1 ZINC000417051157 304366926 /nfs/dbraw/zinc/36/69/26/304366926.db2.gz MVABMRJUIBMEHM-UHFFFAOYSA-N 2 0 347.507 1.544 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000357820598 151161670 /nfs/dbraw/zinc/16/16/70/151161670.db2.gz TZKVUQTYCHWLNV-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873447 151179908 /nfs/dbraw/zinc/17/99/08/151179908.db2.gz UEKDIMYNHHUAKL-LSDHHAIUSA-N 2 0 342.553 1.842 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358043907 151245421 /nfs/dbraw/zinc/24/54/21/151245421.db2.gz XBHHUVSRGXLCAL-CRAIPNDOSA-N 3 0 332.492 1.408 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000358059094 151251662 /nfs/dbraw/zinc/25/16/62/151251662.db2.gz DCZJBHWUIFYMMC-QFBILLFUSA-N 2 0 349.450 1.221 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@@H]1CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000358082728 151264768 /nfs/dbraw/zinc/26/47/68/151264768.db2.gz WZXJNWKARDZNCY-DOTOQJQBSA-N 2 0 336.480 1.143 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000358132696 151283255 /nfs/dbraw/zinc/28/32/55/151283255.db2.gz ODOALTBNAMQAQL-CVEARBPZSA-N 2 0 340.512 1.166 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360343919 152000909 /nfs/dbraw/zinc/00/09/09/152000909.db2.gz DRGOBAOCTFRAHN-OAHLLOKOSA-N 2 0 333.567 1.615 20 0 EDADRP CC(C)N1CCC[C@H]([NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)C1=O ZINC000360464358 152055813 /nfs/dbraw/zinc/05/58/13/152055813.db2.gz BTQGFJHCPKSASW-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP CSC1(CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC000360694197 152157561 /nfs/dbraw/zinc/15/75/61/152157561.db2.gz MAARIYCMEBCIII-UONOGXRCSA-N 2 0 328.526 1.405 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000360743738 152180811 /nfs/dbraw/zinc/18/08/11/152180811.db2.gz GHPHDTQFTZCWIJ-NVXWUHKLSA-N 2 0 340.537 1.694 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000360785101 152203588 /nfs/dbraw/zinc/20/35/88/152203588.db2.gz GEWZLUMIDVZYLR-INIZCTEOSA-N 2 0 342.528 1.595 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000360795686 152208863 /nfs/dbraw/zinc/20/88/63/152208863.db2.gz FDUMBIYUXOJJOK-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP COCCN1CCN(C(=O)NC[C@H]2CCCn3ccnc32)C[C@@H]1C ZINC000370141326 155343941 /nfs/dbraw/zinc/34/39/41/155343941.db2.gz GGDONHGLGZAYOG-LSDHHAIUSA-N 2 0 335.452 1.123 20 0 EDADRP CC(C)O[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1(C)C ZINC000361238615 152342706 /nfs/dbraw/zinc/34/27/06/152342706.db2.gz VBZKOGQLIBKFOV-ROUUACIJSA-N 2 0 341.540 1.558 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417167404 304380063 /nfs/dbraw/zinc/38/00/63/304380063.db2.gz ZUPLTZHLFNDZMS-IYBDPMFKSA-N 2 0 346.450 1.651 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417181122 304381333 /nfs/dbraw/zinc/38/13/33/304381333.db2.gz HQWZGEFMBPKVKK-MJGOQNOKSA-N 2 0 330.476 1.554 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363595183 153008787 /nfs/dbraw/zinc/00/87/87/153008787.db2.gz MAEOEIWVUBIOSY-INIZCTEOSA-N 2 0 347.507 1.728 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000417186092 304382023 /nfs/dbraw/zinc/38/20/23/304382023.db2.gz WGHNAOMAQLSWTC-DLBZAZTESA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)cc2)CC1 ZINC000363768868 153050810 /nfs/dbraw/zinc/05/08/10/153050810.db2.gz OBVDVEPSKWNCCY-REPLKXPHSA-N 2 0 342.487 1.528 20 0 EDADRP c1ccc(CCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000364329963 153207085 /nfs/dbraw/zinc/20/70/85/153207085.db2.gz TZOPZVGLBCBOKP-UHFFFAOYSA-N 2 0 331.504 1.959 20 0 EDADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)c1 ZINC000364730067 153316101 /nfs/dbraw/zinc/31/61/01/153316101.db2.gz ZRFLHSHFIUGYPW-ZIAGYGMSSA-N 2 0 345.447 1.501 20 0 EDADRP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000364787802 153334173 /nfs/dbraw/zinc/33/41/73/153334173.db2.gz IDPLJLLSQNNJCZ-CABCVRRESA-N 2 0 333.480 1.775 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000364872943 153357811 /nfs/dbraw/zinc/35/78/11/153357811.db2.gz SVUWZOBATIQUGL-INIZCTEOSA-N 2 0 333.480 1.489 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417247813 304387636 /nfs/dbraw/zinc/38/76/36/304387636.db2.gz ARXQRPBFDXXVHD-SFFUCWETSA-N 2 0 336.524 1.994 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000367283583 154066606 /nfs/dbraw/zinc/06/66/06/154066606.db2.gz XGDQHJQKSPFBMV-QAQDUYKDSA-N 2 0 337.508 1.903 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417300537 304390924 /nfs/dbraw/zinc/39/09/24/304390924.db2.gz UJZWHLISDJTJKS-OAHLLOKOSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000367622613 154202076 /nfs/dbraw/zinc/20/20/76/154202076.db2.gz JIXBRQGICUQYAJ-KRWDZBQOSA-N 2 0 336.524 1.395 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367706159 154237427 /nfs/dbraw/zinc/23/74/27/154237427.db2.gz QOCFCNLQNIFPTR-HNNXBMFYSA-N 2 0 333.480 1.325 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(C(=O)OC)n(C)c3)C2)CC1 ZINC000368024434 154374327 /nfs/dbraw/zinc/37/43/27/154374327.db2.gz UKLSZKAJMSAFPC-MRXNPFEDSA-N 2 0 334.464 1.024 20 0 EDADRP COCCn1cc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cn1 ZINC000368052495 154386582 /nfs/dbraw/zinc/38/65/82/154386582.db2.gz WHZAEYYFBDAWQJ-SFHVURJKSA-N 2 0 335.496 1.130 20 0 EDADRP CN(C)[C@]1(C(=O)N2CCN(C3CCC3)CC2)CCOc2ccccc21 ZINC000369598746 155104354 /nfs/dbraw/zinc/10/43/54/155104354.db2.gz CHGPYQHPJZEXHV-HXUWFJFHSA-N 2 0 343.471 1.923 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574809661 306657135 /nfs/dbraw/zinc/65/71/35/306657135.db2.gz PQUQBVKTXBJPLT-KURKYZTESA-N 2 0 331.460 1.301 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000370483319 155513073 /nfs/dbraw/zinc/51/30/73/155513073.db2.gz JBSOEDXIMDVJEZ-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000371568722 156008600 /nfs/dbraw/zinc/00/86/00/156008600.db2.gz AORFHLAGNWFITG-SJORKVTESA-N 2 0 338.496 1.100 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[C@H]3c3cccc(O)c3)C2)CC1 ZINC000371792328 156107609 /nfs/dbraw/zinc/10/76/09/156107609.db2.gz JHAYCRUQGOUODU-ZYSHUDEJSA-N 2 0 343.471 1.780 20 0 EDADRP CN(C(=O)C(F)(F)C1(O)CCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372331411 156337196 /nfs/dbraw/zinc/33/71/96/156337196.db2.gz IPLWGFYXAHMHLF-AWEZNQCLSA-N 2 0 345.434 1.164 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372430353 156386788 /nfs/dbraw/zinc/38/67/88/156386788.db2.gz DWVJLPDYQXSNAQ-HNAYVOBHSA-N 2 0 343.427 1.534 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](c3ccc(F)cc3)[C@H]([NH3+])C2)C1(C)C ZINC000372495838 156422073 /nfs/dbraw/zinc/42/20/73/156422073.db2.gz ISAGCNBVHAZOAW-MKSNKDDYSA-N 2 0 349.450 1.611 20 0 EDADRP CN(Cc1cccnc1)C[C@@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843776 157029895 /nfs/dbraw/zinc/02/98/95/157029895.db2.gz HHEDNTKKZMHFLD-SLFFLAALSA-N 2 0 344.503 1.699 20 0 EDADRP CC[C@@H](C)[C@@H](NC(=O)CN1CCC(c2c[nH]cn2)CC1)C(=O)OC ZINC000374201472 157190752 /nfs/dbraw/zinc/19/07/52/157190752.db2.gz WGYNCCRSGNDNIM-MLGOLLRUSA-N 2 0 336.436 1.293 20 0 EDADRP COCCCNC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299174 157229979 /nfs/dbraw/zinc/22/99/79/157229979.db2.gz YBMZYPXBAOXDKB-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000376610918 157804889 /nfs/dbraw/zinc/80/48/89/157804889.db2.gz OOHNWSUUXNIYKA-QRVBRYPASA-N 2 0 339.524 1.671 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000378008963 158054513 /nfs/dbraw/zinc/05/45/13/158054513.db2.gz WYMKLLPPJIXUQC-YJBOKZPZSA-N 2 0 342.503 1.341 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@]2(N(C)C)CCOc3ccccc32)C1 ZINC000378189650 158104342 /nfs/dbraw/zinc/10/43/42/158104342.db2.gz YTQGOEWRLQCDSE-YZVOILCLSA-N 2 0 331.460 1.812 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417950748 304436468 /nfs/dbraw/zinc/43/64/68/304436468.db2.gz MGQZVHHLUMZADE-UHFFFAOYSA-N 2 0 337.468 1.148 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000352208398 162050028 /nfs/dbraw/zinc/05/00/28/162050028.db2.gz NGOHWHSKOCREEV-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000352256682 162077494 /nfs/dbraw/zinc/07/74/94/162077494.db2.gz MCGCSKOJUUCOTN-INIZCTEOSA-N 2 0 331.526 1.322 20 0 EDADRP CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352422836 162175024 /nfs/dbraw/zinc/17/50/24/162175024.db2.gz KXRPKZWRQMOTOD-CMKODMSKSA-N 2 0 346.471 1.754 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000418182095 304460956 /nfs/dbraw/zinc/46/09/56/304460956.db2.gz MDCFEJBLXDJWNO-WBVHZDCISA-N 2 0 336.480 1.521 20 0 EDADRP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH+]1CCN(C)CC1 ZINC000073641407 287262230 /nfs/dbraw/zinc/26/22/30/287262230.db2.gz QYILLTKXXPRZDQ-INIZCTEOSA-N 2 0 332.492 1.362 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OC2CCC2)c1 ZINC000090042463 287329375 /nfs/dbraw/zinc/32/93/75/287329375.db2.gz VACNTXGNWCQQAC-UHFFFAOYSA-N 2 0 334.464 1.578 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC1CC[NH2+]CC1 ZINC000418310262 304478166 /nfs/dbraw/zinc/47/81/66/304478166.db2.gz OPWQEXOTARGFEU-UHFFFAOYSA-N 2 0 332.492 1.944 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000122186858 287378540 /nfs/dbraw/zinc/37/85/40/287378540.db2.gz ZFRVTOACKIUOSV-UHFFFAOYSA-N 2 0 335.452 1.602 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000121981376 287376478 /nfs/dbraw/zinc/37/64/78/287376478.db2.gz PNCWOJNRDVVYLV-ULQDDVLXSA-N 2 0 325.497 1.457 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000166219780 226152000 /nfs/dbraw/zinc/15/20/00/226152000.db2.gz HEZBCOCZBXFAGW-KRWDZBQOSA-N 2 0 331.460 1.633 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000166453314 226158716 /nfs/dbraw/zinc/15/87/16/226158716.db2.gz YIWVITKXLWTBNG-IRXDYDNUSA-N 2 0 346.475 1.112 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C[NH2+]CC3CC3)ccc2oc1=O ZINC000166618335 226164247 /nfs/dbraw/zinc/16/42/47/226164247.db2.gz TVOQBSGUUVQXFF-UHFFFAOYSA-N 2 0 332.404 1.094 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1C[NH2+]CCO1 ZINC000166677588 226166766 /nfs/dbraw/zinc/16/67/66/226166766.db2.gz FUMLZMSNSIKMEE-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418353410 304484397 /nfs/dbraw/zinc/48/43/97/304484397.db2.gz NJMNSTMWOMVJES-IRXDYDNUSA-N 2 0 334.464 1.488 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000128692614 287462196 /nfs/dbraw/zinc/46/21/96/287462196.db2.gz OCXULFDQDGRMPC-UHFFFAOYSA-N 2 0 326.485 1.082 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418402382 304492297 /nfs/dbraw/zinc/49/22/97/304492297.db2.gz ZGDFCSCLJHJLTN-XKQJLSEDSA-N 2 0 334.464 1.295 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273033661 273025030 /nfs/dbraw/zinc/02/50/30/273025030.db2.gz FADMLEQVZKSJEB-FUHWJXTLSA-N 2 0 331.460 1.345 20 0 EDADRP O=C1CCN(C[NH2+]CCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000273046505 273025738 /nfs/dbraw/zinc/02/57/38/273025738.db2.gz HCGOCAAOKFGEKT-UHFFFAOYSA-N 2 0 344.503 1.406 20 0 EDADRP O=C1CCN(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000273062224 273026717 /nfs/dbraw/zinc/02/67/17/273026717.db2.gz JEQVSKRIGYSJTI-UHFFFAOYSA-N 2 0 344.503 1.801 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000275638592 268367061 /nfs/dbraw/zinc/36/70/61/268367061.db2.gz LLOMVSVDYSYZDY-INIZCTEOSA-N 2 0 334.464 1.585 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276742839 268468546 /nfs/dbraw/zinc/46/85/46/268468546.db2.gz ZMYLRKQBODSBQI-SFHVURJKSA-N 2 0 333.476 1.461 20 0 EDADRP CC(C)OCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000273226509 273033944 /nfs/dbraw/zinc/03/39/44/273033944.db2.gz COMDQESAOQNXJE-UHFFFAOYSA-N 2 0 349.479 1.318 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189607 273076116 /nfs/dbraw/zinc/07/61/16/273076116.db2.gz HRSAZMJEDMPDHW-WMZOPIPTSA-N 2 0 330.476 1.854 20 0 EDADRP CO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000279495618 273302476 /nfs/dbraw/zinc/30/24/76/273302476.db2.gz JNZWZTDCYOKQJU-QGZVFWFLSA-N 2 0 332.448 1.135 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655921764 452683698 /nfs/dbraw/zinc/68/36/98/452683698.db2.gz PNVSTLXWYFLSCO-NWDGAFQWSA-N 2 0 340.390 1.018 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000284909794 274383269 /nfs/dbraw/zinc/38/32/69/274383269.db2.gz UIJGCHBTEXZRSU-SZVBFZGTSA-N 2 0 333.476 1.183 20 0 EDADRP CCC[C@@H](C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000367454791 276020745 /nfs/dbraw/zinc/02/07/45/276020745.db2.gz WPEREMXRTRDSTF-SFHVURJKSA-N 2 0 338.540 1.593 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)C[NH2+]C)cc2)CC1 ZINC000236885805 276196640 /nfs/dbraw/zinc/19/66/40/276196640.db2.gz MMWRTGQRVDSDOB-INIZCTEOSA-N 2 0 332.492 1.296 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCCCCC3)C2)CC1 ZINC000107370099 276198569 /nfs/dbraw/zinc/19/85/69/276198569.db2.gz KEMXZOKQJXBVSP-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332273 276218520 /nfs/dbraw/zinc/21/85/20/276218520.db2.gz BBSVLSLJHDMVPI-NEWSRXKRSA-N 2 0 349.519 1.963 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3nc(CC)nn3C2)CC[NH2+]CC1 ZINC000422992303 276274019 /nfs/dbraw/zinc/27/40/19/276274019.db2.gz PPZLHWAFHVBTBA-KBPBESRZSA-N 2 0 349.479 1.066 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C[C@H]1C ZINC000414968340 276287432 /nfs/dbraw/zinc/28/74/32/276287432.db2.gz FKIURIKXTUKAFH-BZUAXINKSA-N 2 0 326.481 1.960 20 0 EDADRP C[NH2+]CCCC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000237161316 277266596 /nfs/dbraw/zinc/26/65/96/277266596.db2.gz WUAWGAIFKZYCRV-GOSISDBHSA-N 2 0 332.492 1.481 20 0 EDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000368495995 277280613 /nfs/dbraw/zinc/28/06/13/277280613.db2.gz LNGMLBLVJSTRDS-ROUUACIJSA-N 2 0 348.466 1.206 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106524863 277384981 /nfs/dbraw/zinc/38/49/81/277384981.db2.gz NGICSZJXBXQZPU-INIZCTEOSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH2+]CCC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000286319988 287981317 /nfs/dbraw/zinc/98/13/17/287981317.db2.gz YIYCGQQOLVFBKP-KRWDZBQOSA-N 2 0 345.491 1.052 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813958 278034839 /nfs/dbraw/zinc/03/48/39/278034839.db2.gz AVMZUBBZIKNZHF-YYWYGQEZSA-N 2 0 334.508 1.985 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000185881091 278231827 /nfs/dbraw/zinc/23/18/27/278231827.db2.gz FAZINXMLMYOQJN-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423175969 278258276 /nfs/dbraw/zinc/25/82/76/278258276.db2.gz FYEQCNVQBRDGCZ-AWEZNQCLSA-N 2 0 330.476 1.862 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C1 ZINC000376980859 278397289 /nfs/dbraw/zinc/39/72/89/278397289.db2.gz URRZZNUULOEOCA-NJINODPHSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+]1CCC(N(C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000358839036 279257572 /nfs/dbraw/zinc/25/75/72/279257572.db2.gz YWLSFORGGUDQKU-LJQANCHMSA-N 2 0 346.519 1.822 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2n[nH]cc2C1 ZINC000339827629 279302354 /nfs/dbraw/zinc/30/23/54/279302354.db2.gz PPTSHHSCERWJPC-DOTOQJQBSA-N 2 0 347.507 1.389 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)[C@H](C)NC(=O)OC(C)(C)C ZINC000496306949 279306442 /nfs/dbraw/zinc/30/64/42/279306442.db2.gz KNSNIBNQADYUQG-HZSPNIEDSA-N 2 0 341.500 1.886 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000358927161 279311021 /nfs/dbraw/zinc/31/10/21/279311021.db2.gz OCADFRBDQIUUML-CQSZACIVSA-N 2 0 328.526 1.597 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094985 279370890 /nfs/dbraw/zinc/37/08/90/279370890.db2.gz LMTVYJNPZGGMOM-WMZOPIPTSA-N 2 0 349.523 1.058 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)CC[NH3+])c(C)c2)CC1 ZINC000414752839 279375139 /nfs/dbraw/zinc/37/51/39/279375139.db2.gz PLMRNUXBHZASTF-HNNXBMFYSA-N 2 0 333.480 1.996 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000333496671 280104442 /nfs/dbraw/zinc/10/44/42/280104442.db2.gz CWDNJNRZKYRNIO-RDJZCZTQSA-N 2 0 344.459 1.033 20 0 EDADRP CC[C@@H](CNC(=[NH2+])NC[C@H]1CCC[N@@H+]1CC)NC(=O)OC(C)(C)C ZINC000496177607 280141367 /nfs/dbraw/zinc/14/13/67/280141367.db2.gz IKGYKGBDHPFVLX-UONOGXRCSA-N 2 0 341.500 1.888 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000287344983 288215197 /nfs/dbraw/zinc/21/51/97/288215197.db2.gz GNNOGYAZYHQTEZ-CQSZACIVSA-N 2 0 346.475 1.694 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000290043486 288827328 /nfs/dbraw/zinc/82/73/28/288827328.db2.gz GRUGYPQFEYDYBQ-MSOLQXFVSA-N 2 0 342.487 1.267 20 0 EDADRP CC(C[NH+]1CC[C@H](n2cccn2)C1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291688123 289150969 /nfs/dbraw/zinc/15/09/69/289150969.db2.gz HGHHKVAZDZJSRS-ROUUACIJSA-N 2 0 328.464 1.910 20 0 EDADRP C(=C/C[N@@H+]1CC[C@@H](n2cccn2)C1)\C[NH+]1CC[C@H](n2cccn2)C1 ZINC000291704488 289156009 /nfs/dbraw/zinc/15/60/09/289156009.db2.gz IEADBMDEXDJWBI-KVHJKKSTSA-N 2 0 326.448 1.830 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000292194514 289285681 /nfs/dbraw/zinc/28/56/81/289285681.db2.gz XTZBDDDAIOSOBF-LJQANCHMSA-N 2 0 344.503 1.453 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292262833 289300728 /nfs/dbraw/zinc/30/07/28/289300728.db2.gz YUEWUZRLAYOXBV-HKUYNNGSSA-N 2 0 347.459 1.412 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@@H]1C ZINC000351635810 290096440 /nfs/dbraw/zinc/09/64/40/290096440.db2.gz QDSYQOPIZDCQPU-QAETUUGQSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000333379196 290274684 /nfs/dbraw/zinc/27/46/84/290274684.db2.gz NKAARJLQLJCVEV-HRCADAONSA-N 2 0 345.491 1.999 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000377124499 295267360 /nfs/dbraw/zinc/26/73/60/295267360.db2.gz FQGNGUOULCFZTG-WBVHZDCISA-N 2 0 333.480 1.616 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000418867635 304541600 /nfs/dbraw/zinc/54/16/00/304541600.db2.gz VAKYENYEAICTBJ-DOTOQJQBSA-N 2 0 346.475 1.006 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419135277 304568517 /nfs/dbraw/zinc/56/85/17/304568517.db2.gz MJCXZBRHNZXTOB-CABCVRRESA-N 2 0 342.528 1.301 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420376722 304753595 /nfs/dbraw/zinc/75/35/95/304753595.db2.gz KDUVPWXWHZJMQH-UAGQMJEPSA-N 2 0 341.496 1.136 20 0 EDADRP C[C@@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC000420401945 304756141 /nfs/dbraw/zinc/75/61/41/304756141.db2.gz HFTCUZDMSPLNBW-OAHLLOKOSA-N 2 0 341.455 1.803 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418163480 302203499 /nfs/dbraw/zinc/20/34/99/302203499.db2.gz DLQJRYXPYWSJHF-ZOBUZTSGSA-N 2 0 334.464 1.355 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000458355992 447320656 /nfs/dbraw/zinc/32/06/56/447320656.db2.gz CWFUMDFUGNKKAH-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP Cn1ccnc1CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000361254633 302987237 /nfs/dbraw/zinc/98/72/37/302987237.db2.gz ZYURYEGIZBXZQY-OWCLPIDISA-N 2 0 345.491 1.408 20 0 EDADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295109300 303174238 /nfs/dbraw/zinc/17/42/38/303174238.db2.gz LLSVNZQYQCIQSP-CVEARBPZSA-N 2 0 349.475 1.849 20 0 EDADRP Cc1cc(NC(=O)NCCN2CCOC(C)(C)C2)cn2ccnc12 ZINC000297007797 303353485 /nfs/dbraw/zinc/35/34/85/303353485.db2.gz PPSMCVPOEBOCSH-UHFFFAOYSA-N 2 0 331.420 1.875 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C(F)F ZINC000416830524 303384577 /nfs/dbraw/zinc/38/45/77/303384577.db2.gz ONFSCGWFLZFSEA-NEPJUHHUSA-N 2 0 330.379 1.698 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423094465 303408720 /nfs/dbraw/zinc/40/87/20/303408720.db2.gz BXFIUTNUIGAIDS-GXTWGEPZSA-N 2 0 345.896 1.725 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000414876369 447339283 /nfs/dbraw/zinc/33/92/83/447339283.db2.gz VTGOMOSHHSNWAM-GJZGRUSLSA-N 2 0 344.459 1.589 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC(C)(C)CC[NH3+] ZINC000422621048 304874720 /nfs/dbraw/zinc/87/47/20/304874720.db2.gz PNMRUIRARSPVRV-UHFFFAOYSA-N 2 0 337.468 1.339 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCNC(=O)C2CCC2)CC[NH2+]CC1 ZINC000422917914 304880175 /nfs/dbraw/zinc/88/01/75/304880175.db2.gz GCWOSYFMYUKEOP-CQSZACIVSA-N 2 0 339.480 1.204 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC)N2CCCC2)CC[NH2+]CC1 ZINC000422962861 304881328 /nfs/dbraw/zinc/88/13/28/304881328.db2.gz GVKBYRTVIYERAV-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000423119614 304887605 /nfs/dbraw/zinc/88/76/05/304887605.db2.gz FEAOMUAVLRSIOT-JHJVBQTASA-N 2 0 331.507 1.617 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423418268 304895188 /nfs/dbraw/zinc/89/51/88/304895188.db2.gz UJIJSJAKLUBGFK-CVEARBPZSA-N 2 0 340.512 1.010 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000423938433 304919754 /nfs/dbraw/zinc/91/97/54/304919754.db2.gz JEMGGWOYWQWEDQ-GDBMZVCRSA-N 2 0 342.447 1.195 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000427563503 304993594 /nfs/dbraw/zinc/99/35/94/304993594.db2.gz FZZZKUKACPCRCF-PBHICJAKSA-N 2 0 333.501 1.963 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034010 305004693 /nfs/dbraw/zinc/00/46/93/305004693.db2.gz BQNIGBLWVDSDDS-RHSMWYFYSA-N 2 0 327.428 1.747 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)CC[NH+](C)C ZINC000428247289 305008896 /nfs/dbraw/zinc/00/88/96/305008896.db2.gz UARMVFDYOJDTCI-NWDGAFQWSA-N 2 0 330.270 1.929 20 0 EDADRP Cc1cccc(CN2CCN(C(=O)C[NH+]3CCC(C[NH3+])CC3)CC2)c1 ZINC000430598094 305057799 /nfs/dbraw/zinc/05/77/99/305057799.db2.gz BQVKHDOXXZIUDV-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430613038 305058884 /nfs/dbraw/zinc/05/88/84/305058884.db2.gz UHUQTWSMXQAHKC-GOEBONIOSA-N 2 0 346.475 1.363 20 0 EDADRP CSc1ccc(OCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430660432 305061546 /nfs/dbraw/zinc/06/15/46/305061546.db2.gz DHGKJRNKPZCUPM-AWEZNQCLSA-N 2 0 337.489 1.574 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000430704470 305062875 /nfs/dbraw/zinc/06/28/75/305062875.db2.gz XSSPDGKTEVZVND-MRXNPFEDSA-N 2 0 337.489 1.662 20 0 EDADRP O=C(COC1C[NH2+]C1)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000430752225 305063960 /nfs/dbraw/zinc/06/39/60/305063960.db2.gz BCAKOKAQZMGYMN-MRXNPFEDSA-N 2 0 337.851 1.582 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccc(NC(=O)CC[NH+]3CCCCC3)cc2)CC1 ZINC000430865985 305066459 /nfs/dbraw/zinc/06/64/59/305066459.db2.gz FKHGCYLNXOKUTK-UHFFFAOYSA-N 2 0 330.432 1.931 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000430876707 305066649 /nfs/dbraw/zinc/06/66/49/305066649.db2.gz GSBCQUYKXIRJLT-BMFZPTHFSA-N 2 0 344.459 1.450 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000430915851 305067751 /nfs/dbraw/zinc/06/77/51/305067751.db2.gz FMWMQRACAQXOHF-OLZOCXBDSA-N 2 0 333.432 1.844 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917272 305067933 /nfs/dbraw/zinc/06/79/33/305067933.db2.gz YGENKYLLEIGTLG-ZWKOTPCHSA-N 2 0 349.475 1.191 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cn2)CC1 ZINC000431008168 305072568 /nfs/dbraw/zinc/07/25/68/305072568.db2.gz JAFMIJQSFMDUQQ-UHFFFAOYSA-N 2 0 345.491 1.501 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431012851 305072813 /nfs/dbraw/zinc/07/28/13/305072813.db2.gz GSBWHITYFCWJOC-UHFFFAOYSA-N 2 0 330.432 1.190 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000431030992 305073294 /nfs/dbraw/zinc/07/32/94/305073294.db2.gz SWTREGXPBWJIHX-UHFFFAOYSA-N 2 0 325.497 1.855 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059694 305074065 /nfs/dbraw/zinc/07/40/65/305074065.db2.gz CXDMQGLDCRSHFR-YVWKXTFCSA-N 2 0 345.487 1.954 20 0 EDADRP COC(=O)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433142333 305101551 /nfs/dbraw/zinc/10/15/51/305101551.db2.gz TUCDBIDIXRIOIU-OAHLLOKOSA-N 2 0 339.461 1.282 20 0 EDADRP C[C@H]1CCCC[C@H]1OCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433161578 305102112 /nfs/dbraw/zinc/10/21/12/305102112.db2.gz KKKHLBVTAZZOQL-DOTOQJQBSA-N 2 0 325.497 1.901 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433326329 305105890 /nfs/dbraw/zinc/10/58/90/305105890.db2.gz KQLICJXGQZHBNU-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433348506 305106127 /nfs/dbraw/zinc/10/61/27/305106127.db2.gz AAZQYUHIFAWHHC-INIZCTEOSA-N 2 0 332.492 1.504 20 0 EDADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc2ccccc2c1 ZINC000434668624 305127001 /nfs/dbraw/zinc/12/70/01/305127001.db2.gz BMVCIHGQQOWECZ-QZTJIDSGSA-N 2 0 327.428 1.724 20 0 EDADRP C[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435616271 305143509 /nfs/dbraw/zinc/14/35/09/305143509.db2.gz KHAYSWVRKDJZSP-INIZCTEOSA-N 2 0 332.448 1.476 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)[C@@H](C)C1 ZINC000436487152 305158597 /nfs/dbraw/zinc/15/85/97/305158597.db2.gz KEQIQWHJXLGJCV-LSDHHAIUSA-N 2 0 336.484 1.639 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000438891489 305190679 /nfs/dbraw/zinc/19/06/79/305190679.db2.gz UCIDSJUKQRPPFI-YJBOKZPZSA-N 2 0 340.471 1.982 20 0 EDADRP C[C@H](CNc1nc2ccccc2c(NC[C@@H](C)[NH+](C)C)n1)[NH+](C)C ZINC000443426184 305238285 /nfs/dbraw/zinc/23/82/85/305238285.db2.gz JJFUGJYFVBDDHV-ZIAGYGMSSA-N 2 0 330.480 1.198 20 0 EDADRP CCOCC[C@@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444612273 305251666 /nfs/dbraw/zinc/25/16/66/305251666.db2.gz SWTYMTDAXFOSQB-FGTMMUONSA-N 2 0 327.513 1.264 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446358669 305263584 /nfs/dbraw/zinc/26/35/84/305263584.db2.gz ASVHNJRUGNMYCZ-LJCCNALRSA-N 2 0 349.519 1.900 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000446366441 305263748 /nfs/dbraw/zinc/26/37/48/305263748.db2.gz JPYFLYZFFVMFEM-YYAJDYIMSA-N 2 0 335.492 1.463 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000449103333 305306727 /nfs/dbraw/zinc/30/67/27/305306727.db2.gz ASEIFUZYEMJFDZ-ZBFHGGJFSA-N 2 0 325.497 1.722 20 0 EDADRP COc1cc(F)cc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)c1 ZINC000449145970 305307829 /nfs/dbraw/zinc/30/78/29/305307829.db2.gz ASUUNOSHXQTGRQ-UHFFFAOYSA-N 2 0 339.455 1.314 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452067307 305381983 /nfs/dbraw/zinc/38/19/83/305381983.db2.gz IDCJJUYUBSSRNI-NEPXVJNWSA-N 2 0 345.487 1.468 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000452345663 305390489 /nfs/dbraw/zinc/39/04/89/305390489.db2.gz ROMIYGMKCKSOJJ-SJORKVTESA-N 2 0 325.497 1.581 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000457418571 305488868 /nfs/dbraw/zinc/48/88/68/305488868.db2.gz VQWULPKUTAJZJM-UHFFFAOYSA-N 2 0 348.535 1.491 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000457989247 305498182 /nfs/dbraw/zinc/49/81/82/305498182.db2.gz RIKSOZWLBYAIKE-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000419694476 447353885 /nfs/dbraw/zinc/35/38/85/447353885.db2.gz JMTUBGUQABACJH-OAHLLOKOSA-N 2 0 340.512 1.247 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520368285 305778684 /nfs/dbraw/zinc/77/86/84/305778684.db2.gz JCQAMOUSRHUNPN-ZWKOTPCHSA-N 2 0 330.476 1.715 20 0 EDADRP Cn1cc(-c2nc(C[NH2+]CCN3CCC([NH+](C)C)CC3)cs2)cn1 ZINC000527669133 305855306 /nfs/dbraw/zinc/85/53/06/305855306.db2.gz GUGCUKPWIMDSOH-UHFFFAOYSA-N 2 0 348.520 1.659 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cnc(C2CC2)nc1 ZINC000533734803 306002776 /nfs/dbraw/zinc/00/27/76/306002776.db2.gz WPCNBRXZCQOMDH-UHFFFAOYSA-N 2 0 348.495 1.031 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000536353643 306020264 /nfs/dbraw/zinc/02/02/64/306020264.db2.gz IYJSQMHHOFPHKN-FGTMMUONSA-N 2 0 346.475 1.015 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000557147332 306224983 /nfs/dbraw/zinc/22/49/83/306224983.db2.gz RWDONXWNYGESNU-YJBOKZPZSA-N 2 0 346.475 1.792 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000557265285 306227328 /nfs/dbraw/zinc/22/73/28/306227328.db2.gz VLLXBUYMVGVHRU-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458450731 447375291 /nfs/dbraw/zinc/37/52/91/447375291.db2.gz GJGQLVXBJOSGCM-INIZCTEOSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414980961 447383260 /nfs/dbraw/zinc/38/32/60/447383260.db2.gz XLYJWPXGAMKOCO-CQSZACIVSA-N 2 0 333.402 1.698 20 0 EDADRP Cc1ccn2c(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cnc2c1 ZINC000414986047 447384800 /nfs/dbraw/zinc/38/48/00/447384800.db2.gz NICFFJBXJIGUNM-CQSZACIVSA-N 2 0 341.381 1.568 20 0 EDADRP COc1ccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000415109408 447389150 /nfs/dbraw/zinc/38/91/50/447389150.db2.gz PKJVYQOERCZMDB-UONOGXRCSA-N 2 0 335.448 1.552 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000426306490 447415704 /nfs/dbraw/zinc/41/57/04/447415704.db2.gz GEUUDRXAGSLURC-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000419806239 447424550 /nfs/dbraw/zinc/42/45/50/447424550.db2.gz RCZDFCAKKYGEKU-GJZGRUSLSA-N 2 0 338.496 1.001 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000046370713 441104703 /nfs/dbraw/zinc/10/47/03/441104703.db2.gz RBJWDCWOUQKYNR-UHFFFAOYSA-N 2 0 331.464 1.645 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cccc(F)c1 ZINC000057718254 441131190 /nfs/dbraw/zinc/13/11/90/441131190.db2.gz HOTRLLKLXPVSHK-UHFFFAOYSA-N 2 0 345.484 1.720 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC2CC[NH+](C)CC2)[NH+](C)C)c1 ZINC000105083145 441230806 /nfs/dbraw/zinc/23/08/06/441230806.db2.gz URFVJLIJJUBBTB-SFHVURJKSA-N 2 0 348.491 1.939 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000072694616 441251036 /nfs/dbraw/zinc/25/10/36/441251036.db2.gz QRIUNTKCALQCEI-CQSZACIVSA-N 2 0 342.484 1.043 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000072963342 441278947 /nfs/dbraw/zinc/27/89/47/441278947.db2.gz BOYXPLMICMXRHL-HDICACEKSA-N 2 0 338.540 1.498 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073013051 441286348 /nfs/dbraw/zinc/28/63/48/441286348.db2.gz RNBZJCGWSSAPNG-KRWDZBQOSA-N 2 0 330.476 1.267 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000073527617 441322868 /nfs/dbraw/zinc/32/28/68/441322868.db2.gz KEYMEXQZMHTTNU-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000073252264 441305048 /nfs/dbraw/zinc/30/50/48/441305048.db2.gz AXYHSEFZIRZOAB-CYBMUJFWSA-N 2 0 344.419 1.052 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073334081 441309765 /nfs/dbraw/zinc/30/97/65/441309765.db2.gz SSMFOYGBBPXIIZ-UHFFFAOYSA-N 2 0 337.508 1.964 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000106551776 441353953 /nfs/dbraw/zinc/35/39/53/441353953.db2.gz OQLAGEZHIPOTKY-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000112917948 441567026 /nfs/dbraw/zinc/56/70/26/441567026.db2.gz JDQPCXUOERLKIL-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP CCOC[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000113504347 441612020 /nfs/dbraw/zinc/61/20/20/441612020.db2.gz MRMCQVOKGPVHSM-IBGZPJMESA-N 2 0 335.492 1.133 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)[C@H](C)C1 ZINC000090913812 441646394 /nfs/dbraw/zinc/64/63/94/441646394.db2.gz INGGZPHZWPLPLI-GTAWCEEGSA-N 2 0 331.504 1.942 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000158517956 441742950 /nfs/dbraw/zinc/74/29/50/441742950.db2.gz DOIPDEPMSZDEAJ-MRXNPFEDSA-N 2 0 347.507 1.570 20 0 EDADRP CC(C)C[N@@H+]1CCCN(CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000077362953 441762809 /nfs/dbraw/zinc/76/28/09/441762809.db2.gz RAKMOTZMKBIFHG-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000158822477 441767335 /nfs/dbraw/zinc/76/73/35/441767335.db2.gz DKUCUTGRPZGHIN-QYZOEREBSA-N 3 0 339.524 1.578 20 0 EDADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000092746439 441824550 /nfs/dbraw/zinc/82/45/50/441824550.db2.gz WBBCYKWICMIFOP-DLBZAZTESA-N 2 0 346.519 1.652 20 0 EDADRP C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723343 441958455 /nfs/dbraw/zinc/95/84/55/441958455.db2.gz KBOAVUIMKTXTQF-KRWDZBQOSA-N 2 0 344.503 1.534 20 0 EDADRP COC(=O)c1cccc(OCC[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174722525 441959022 /nfs/dbraw/zinc/95/90/22/441959022.db2.gz FYKJPESMRGCUOT-UHFFFAOYSA-N 2 0 349.475 1.421 20 0 EDADRP O=C1[C@H](N2CC[C@@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000151218981 442026614 /nfs/dbraw/zinc/02/66/14/442026614.db2.gz DHEYFBPZVRJIQP-UONOGXRCSA-N 2 0 333.398 1.957 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000126419672 442110856 /nfs/dbraw/zinc/11/08/56/442110856.db2.gz HUWKUUIEOZWPBT-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176084858 442172622 /nfs/dbraw/zinc/17/26/22/442172622.db2.gz SASIRWNPGCBLOY-MRXNPFEDSA-N 2 0 346.475 1.596 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176211206 442191822 /nfs/dbraw/zinc/19/18/22/442191822.db2.gz FSGPGHNBTKYMHN-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP COC1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000164627120 442200270 /nfs/dbraw/zinc/20/02/70/442200270.db2.gz FEIKVUTVUXWIEW-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000152001847 442152277 /nfs/dbraw/zinc/15/22/77/442152277.db2.gz ZKDIUDOUVKKSCP-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000152915124 442250495 /nfs/dbraw/zinc/25/04/95/442250495.db2.gz RSFLRPNDKLFDHA-UHFFFAOYSA-N 3 0 341.544 1.386 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152545362 442224774 /nfs/dbraw/zinc/22/47/74/442224774.db2.gz DRWWJDRGUAWZBA-IEBWSBKVSA-N 2 0 333.476 1.327 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000168849057 442225655 /nfs/dbraw/zinc/22/56/55/442225655.db2.gz ASRRPZZIXFUWDB-CQSZACIVSA-N 2 0 329.510 1.218 20 0 EDADRP CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)[NH+](C)C ZINC000152580713 442228302 /nfs/dbraw/zinc/22/83/02/442228302.db2.gz HUHAGUVCASPSKG-INIZCTEOSA-N 2 0 333.480 1.180 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCN(Cc3cccnc3)CC2)C[N@@H+]1C1CC1 ZINC000127930351 442233797 /nfs/dbraw/zinc/23/37/97/442233797.db2.gz CJIGYKBHNDJDPG-RDJZCZTQSA-N 2 0 343.475 1.534 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc2c(c1)OCO2 ZINC000153272366 442272050 /nfs/dbraw/zinc/27/20/50/442272050.db2.gz DLQGXWATIAWPEZ-INIZCTEOSA-N 2 0 348.443 1.619 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000153490987 442285486 /nfs/dbraw/zinc/28/54/86/442285486.db2.gz SWQMEZCMVHTASN-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000153677304 442295213 /nfs/dbraw/zinc/29/52/13/442295213.db2.gz BSAFHCOQXWETLY-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000171471997 442351060 /nfs/dbraw/zinc/35/10/60/442351060.db2.gz ZRWSHSSINVTFJR-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000129206095 442306157 /nfs/dbraw/zinc/30/61/57/442306157.db2.gz RWYKPIDTHRFHHI-JFIYKMOQSA-N 2 0 334.508 1.987 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2ccc(F)c(F)c2)CC1 ZINC000178011910 442401798 /nfs/dbraw/zinc/40/17/98/442401798.db2.gz FEZBOHDRBMMEPU-UHFFFAOYSA-N 2 0 339.430 1.897 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000178522731 442441249 /nfs/dbraw/zinc/44/12/49/442441249.db2.gz NMGWBQNRDKDJHD-PXNSSMCTSA-N 3 0 346.519 1.728 20 0 EDADRP O=C(CCCn1ccnc1)N1CCN(Cc2cccc(O)c2)CC1 ZINC000156103049 442447303 /nfs/dbraw/zinc/44/73/03/442447303.db2.gz IWDXBTUIFPJDQF-UHFFFAOYSA-N 2 0 328.416 1.713 20 0 EDADRP COc1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc2c1OCO2 ZINC000134058506 442448232 /nfs/dbraw/zinc/44/82/32/442448232.db2.gz LBKKBLRYCJHJLG-UHFFFAOYSA-N 2 0 348.443 1.968 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172548749 442487638 /nfs/dbraw/zinc/48/76/38/442487638.db2.gz KUBUMERGDRKZOR-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000178768411 442479474 /nfs/dbraw/zinc/47/94/74/442479474.db2.gz KIXIHHFGEKXDSH-KRWDZBQOSA-N 2 0 330.476 1.375 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2cnn3ccccc23)CC1 ZINC000180142218 442547644 /nfs/dbraw/zinc/54/76/44/442547644.db2.gz ZJQCSHIQBZJQSJ-KRWDZBQOSA-N 2 0 327.432 1.073 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(N3CC[NH+](C(C)C)CC3)cc2)C1 ZINC000179026284 442554264 /nfs/dbraw/zinc/55/42/64/442554264.db2.gz PWKUSKJGTYBVMB-QGZVFWFLSA-N 2 0 344.503 1.899 20 0 EDADRP CCCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000178885036 442514737 /nfs/dbraw/zinc/51/47/37/442514737.db2.gz KLVQRMXNZKOOOG-LJQANCHMSA-N 2 0 344.503 1.648 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000180017729 442529182 /nfs/dbraw/zinc/52/91/82/442529182.db2.gz WADMXBFEXVJLLU-IAGOWNOFSA-N 2 0 343.537 1.653 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000172738105 442529612 /nfs/dbraw/zinc/52/96/12/442529612.db2.gz JNHSMOIMQIDELH-DOTOQJQBSA-N 2 0 335.448 1.562 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(CCc2ccccc2)C1 ZINC000186590720 442567458 /nfs/dbraw/zinc/56/74/58/442567458.db2.gz REFYKIPYUXTFNW-TZIWHRDSSA-N 2 0 344.547 1.919 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NCC[N@@H+]2CCCOCC2)[NH+](C)C)cc1 ZINC000187046638 442649095 /nfs/dbraw/zinc/64/90/95/442649095.db2.gz ZZHHXPACZOIZQQ-SFHVURJKSA-N 2 0 348.491 1.619 20 0 EDADRP CCC[C@H]1CN(C(=O)c2ccc3nccn3c2)CC[N@@H+]1CCOC ZINC000179316835 442619171 /nfs/dbraw/zinc/61/91/71/442619171.db2.gz BFSXMEXIYQRELE-INIZCTEOSA-N 2 0 330.432 1.907 20 0 EDADRP CO[C@@H]1CC[C@H]2OCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000192778298 442685456 /nfs/dbraw/zinc/68/54/56/442685456.db2.gz BWIDXPNZKRFLRZ-CEXWTWQISA-N 2 0 339.524 1.671 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192810680 442688690 /nfs/dbraw/zinc/68/86/90/442688690.db2.gz SCNQGUAKFCQZND-YQQQUEKLSA-N 2 0 344.503 1.693 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@]2(CO)CC[C@H](C)C2)CC1 ZINC000187952327 442700070 /nfs/dbraw/zinc/70/00/70/442700070.db2.gz AFDLGNPFZCWHDP-YJBOKZPZSA-N 2 0 325.497 1.458 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000187967458 442700911 /nfs/dbraw/zinc/70/09/11/442700911.db2.gz CQXGTLYUYGQSKK-TTZDDIAXSA-N 2 0 337.489 1.624 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[NH+](C3CCCC3)CC2)ccn1 ZINC000136321061 442659881 /nfs/dbraw/zinc/65/98/81/442659881.db2.gz MZKCXDFQMRJGFU-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](CC)CCO)C1 ZINC000187267999 442665945 /nfs/dbraw/zinc/66/59/45/442665945.db2.gz XCVUPDXCOCEJKG-INIZCTEOSA-N 2 0 342.528 1.500 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187398018 442673784 /nfs/dbraw/zinc/67/37/84/442673784.db2.gz CTENQVJWCBUTMO-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP [NH3+]Cc1cc(C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)co1 ZINC000188289139 442734298 /nfs/dbraw/zinc/73/42/98/442734298.db2.gz MKLLGVHWMITNES-INIZCTEOSA-N 2 0 328.416 1.918 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000193404595 442739268 /nfs/dbraw/zinc/73/92/68/442739268.db2.gz MMKYNIWGNKBZOP-ZSBOJNDFSA-N 2 0 339.524 1.575 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000188698002 442791089 /nfs/dbraw/zinc/79/10/89/442791089.db2.gz RUJGCVGUNMHDEY-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000246278052 442768734 /nfs/dbraw/zinc/76/87/34/442768734.db2.gz JSXVESRCSGCARB-HZPDHXFCSA-N 2 0 342.528 1.619 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)C2CC2)[C@H](C)C1 ZINC000246280663 442768929 /nfs/dbraw/zinc/76/89/29/442768929.db2.gz NMTMERXTQQBRPU-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000246360338 442775855 /nfs/dbraw/zinc/77/58/55/442775855.db2.gz PXEWFUIQZLGWKX-SJORKVTESA-N 2 0 343.537 1.466 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049173 442831099 /nfs/dbraw/zinc/83/10/99/442831099.db2.gz NCWGPSFZPIBMFI-ZWKOTPCHSA-N 2 0 346.523 1.309 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194449976 442898585 /nfs/dbraw/zinc/89/85/85/442898585.db2.gz ADFBWDNPQLBQHO-SFHVURJKSA-N 2 0 348.491 1.122 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN([C@@H](C(=O)OC)c3ccccc3C)C2)CC1 ZINC000248622023 442909395 /nfs/dbraw/zinc/90/93/95/442909395.db2.gz NKXDWFPMNXSBOU-IEBWSBKVSA-N 2 0 345.487 1.921 20 0 EDADRP CC[C@H](O)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000248687200 442917893 /nfs/dbraw/zinc/91/78/93/442917893.db2.gz AISGDSJHWSRWEP-PJVZLEMVSA-N 2 0 342.524 1.598 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@H](CO)C2)CC1 ZINC000265829132 442936917 /nfs/dbraw/zinc/93/69/17/442936917.db2.gz MCKFKHLJNPSHNA-GOSISDBHSA-N 2 0 345.487 1.344 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000195138597 442988236 /nfs/dbraw/zinc/98/82/36/442988236.db2.gz QYKOGQKMRYXEQQ-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[N@H+](CCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000266121746 443025200 /nfs/dbraw/zinc/02/52/00/443025200.db2.gz HZJSJRRQFFQNEM-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP CN(CCC[NH2+]Cc1cccc(NS(C)(=O)=O)c1)CC[NH+](C)C ZINC000623087769 450398390 /nfs/dbraw/zinc/39/83/90/450398390.db2.gz HRWQOSZKRDLKAX-UHFFFAOYSA-N 2 0 342.509 1.031 20 0 EDADRP CC[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748018 443095688 /nfs/dbraw/zinc/09/56/88/443095688.db2.gz GPTHHZIACXRJPC-MOPGFXCFSA-N 2 0 328.460 1.880 20 0 EDADRP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[C@@H]1[NH3+] ZINC000262027185 443180780 /nfs/dbraw/zinc/18/07/80/443180780.db2.gz ZZUCEAMTAOBOGZ-RIEGTJTDSA-N 2 0 340.265 1.819 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236997092 443155298 /nfs/dbraw/zinc/15/52/98/443155298.db2.gz DLATVZUGJGMIIC-SJLPKXTDSA-N 2 0 330.476 1.686 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)[C@@H](C)C1 ZINC000245564440 443237732 /nfs/dbraw/zinc/23/77/32/443237732.db2.gz OFOYDAIQWGGDFB-DOTOQJQBSA-N 2 0 345.553 1.757 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185473126 443204625 /nfs/dbraw/zinc/20/46/25/443204625.db2.gz DBTLKEKPVQSADS-MRXNPFEDSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[C@@H]1[NH3+] ZINC000269245146 443248848 /nfs/dbraw/zinc/24/88/48/443248848.db2.gz ZKGAUUMTTLTQNA-YJBOKZPZSA-N 2 0 330.476 1.243 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000382919014 319125204 /nfs/dbraw/zinc/12/52/04/319125204.db2.gz ZYTKLWALJIFLJH-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000397522927 319135233 /nfs/dbraw/zinc/13/52/33/319135233.db2.gz VMFMNWPQUWQNLH-LSDHHAIUSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@@H]([NH2+]CCCOC(=O)NC(N)=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185755249 443251746 /nfs/dbraw/zinc/25/17/46/443251746.db2.gz XOGMAPVHPFVQNS-OLZOCXBDSA-N 2 0 326.441 1.424 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2cccnc2[nH]1 ZINC000412128786 319226570 /nfs/dbraw/zinc/22/65/70/319226570.db2.gz MVBJIYOBCMXKAM-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412252736 319228553 /nfs/dbraw/zinc/22/85/53/319228553.db2.gz QPMRSBFCTCZMFX-IBGZPJMESA-N 2 0 331.460 1.469 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H](C)O1 ZINC000413739595 319289607 /nfs/dbraw/zinc/28/96/07/319289607.db2.gz BQRIHPQBBODTPQ-IXDOHACOSA-N 2 0 342.528 1.715 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(Cc3ccccc3)C[C@@H]2C)C1 ZINC000413827686 319291996 /nfs/dbraw/zinc/29/19/96/319291996.db2.gz CCMAEGAJVCTAIW-WMZOPIPTSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000269270745 443260325 /nfs/dbraw/zinc/26/03/25/443260325.db2.gz SHHPVOSUEPVFDZ-CQSZACIVSA-N 2 0 335.423 1.395 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000414674617 319339806 /nfs/dbraw/zinc/33/98/06/319339806.db2.gz KVKCSRSLQKSNTA-HOTGVXAUSA-N 2 0 346.475 1.768 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679924 319340631 /nfs/dbraw/zinc/34/06/31/319340631.db2.gz MFAOJJZAORYSEP-SJORKVTESA-N 2 0 327.476 1.840 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](CN2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000414689735 319342968 /nfs/dbraw/zinc/34/29/68/319342968.db2.gz GSVAZIZEPJZFSI-PBHICJAKSA-N 2 0 335.423 1.396 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000414693545 319343196 /nfs/dbraw/zinc/34/31/96/319343196.db2.gz CCPHFAHPAWQWHK-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP COCc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414992650 319344103 /nfs/dbraw/zinc/34/41/03/319344103.db2.gz RSOJLOLJOZTBAU-MJGOQNOKSA-N 2 0 331.460 1.569 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415128910 319346817 /nfs/dbraw/zinc/34/68/17/319346817.db2.gz ORYLBHLPCARFSQ-XJKSGUPXSA-N 2 0 336.480 1.868 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000415196556 319349187 /nfs/dbraw/zinc/34/91/87/319349187.db2.gz SAPPCVIQLUCUMZ-INIZCTEOSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@](C)(C[NH3+])C2)ccc1C[NH+](C)C ZINC000415687028 319363842 /nfs/dbraw/zinc/36/38/42/319363842.db2.gz IKMRFZDQKVCGRR-SFHVURJKSA-N 2 0 332.448 1.192 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892324 319381821 /nfs/dbraw/zinc/38/18/21/319381821.db2.gz IFJQMDPPYNSFMA-QGZVFWFLSA-N 2 0 332.448 1.301 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269308591 443276773 /nfs/dbraw/zinc/27/67/73/443276773.db2.gz VBOIKGYKPVZZQP-QGZVFWFLSA-N 2 0 332.448 1.146 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)CC2CCCC2)CC1 ZINC000191328567 443278975 /nfs/dbraw/zinc/27/89/75/443278975.db2.gz LUGAJSFFUHTXON-KRWDZBQOSA-N 2 0 325.497 1.317 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208381 443279403 /nfs/dbraw/zinc/27/94/03/443279403.db2.gz JZSAGDYSKNMEJP-FUHWJXTLSA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C(F)F ZINC000416805850 319461212 /nfs/dbraw/zinc/46/12/12/319461212.db2.gz FGLICIGAZFZSKP-ZDUSSCGKSA-N 2 0 348.438 1.303 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000416851890 319466778 /nfs/dbraw/zinc/46/67/78/319466778.db2.gz RWVHNXRWQYMKJP-MSOLQXFVSA-N 2 0 332.492 1.800 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000267016484 443313976 /nfs/dbraw/zinc/31/39/76/443313976.db2.gz BHDGCPUEEZZROT-KRWDZBQOSA-N 2 0 334.464 1.090 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000417332103 319492841 /nfs/dbraw/zinc/49/28/41/319492841.db2.gz NIOYJVSHSJRFCR-UHFFFAOYSA-N 2 0 346.475 1.522 20 0 EDADRP Cc1cccnc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267308251 443413258 /nfs/dbraw/zinc/41/32/58/443413258.db2.gz AYJWQZVPODMKKX-UHFFFAOYSA-N 2 0 339.443 1.727 20 0 EDADRP COC[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000272715180 443418282 /nfs/dbraw/zinc/41/82/82/443418282.db2.gz WGFUBDKYWNCOCA-GOSISDBHSA-N 2 0 335.492 1.968 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccc(C=O)cc1 ZINC000264938782 443484276 /nfs/dbraw/zinc/48/42/76/443484276.db2.gz GSRUIOLVPAKKCZ-UHFFFAOYSA-N 2 0 349.475 1.610 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCN(C)CC1 ZINC000264948947 443487953 /nfs/dbraw/zinc/48/79/53/443487953.db2.gz XQTOMVLLTUCQHT-LJQANCHMSA-N 2 0 346.519 1.750 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@]2(COC)CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423307441 319763056 /nfs/dbraw/zinc/76/30/56/319763056.db2.gz NEHSGTAUCMMPJK-HKUYNNGSSA-N 2 0 333.476 1.594 20 0 EDADRP COc1cccc(OC)c1OC[C@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000265030419 443512609 /nfs/dbraw/zinc/51/26/09/443512609.db2.gz UUWHPHOPZLHRHQ-HUUCEWRRSA-N 2 0 338.448 1.327 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423477244 319778923 /nfs/dbraw/zinc/77/89/23/319778923.db2.gz RYJVGDQBTSQIEA-SUYBPPKGSA-N 2 0 337.489 1.819 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000423830223 319819448 /nfs/dbraw/zinc/81/94/48/319819448.db2.gz DIPFFNHIAZPHGL-QFBILLFUSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cccc2nc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)n(C)c21 ZINC000423862612 319822428 /nfs/dbraw/zinc/82/24/28/319822428.db2.gz TWQZAAJCXAJXHB-UHFFFAOYSA-N 2 0 343.475 1.701 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000426680087 319886438 /nfs/dbraw/zinc/88/64/38/319886438.db2.gz ZRTTUWHIZGZCTG-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccccc1N ZINC000274327186 443603742 /nfs/dbraw/zinc/60/37/42/443603742.db2.gz IDZNGXPQBUCBFT-UHFFFAOYSA-N 2 0 342.509 1.163 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cncc(Br)c1 ZINC000272418633 443619126 /nfs/dbraw/zinc/61/91/26/443619126.db2.gz GIEYYZGFOAYACN-UHFFFAOYSA-N 2 0 341.297 1.913 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444267902 320123115 /nfs/dbraw/zinc/12/31/15/320123115.db2.gz UVUQAVKRMQDCJR-APWZRJJASA-N 2 0 328.460 1.685 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000447959910 320150603 /nfs/dbraw/zinc/15/06/03/320150603.db2.gz URKSKFIHSNTGNR-RHSMWYFYSA-N 2 0 342.553 1.843 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000449376438 320185480 /nfs/dbraw/zinc/18/54/80/320185480.db2.gz LNGSZFNMMZKXPN-KGLIPLIRSA-N 2 0 340.265 1.827 20 0 EDADRP C[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H](C)[N@H+]1CCO ZINC000457467378 320327077 /nfs/dbraw/zinc/32/70/77/320327077.db2.gz SMHGMPYSLUFNFJ-IYBDPMFKSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cccc(F)c1 ZINC000457482282 320327734 /nfs/dbraw/zinc/32/77/34/320327734.db2.gz PJIZTSSMPZVVGN-USXIJHARSA-N 2 0 334.439 1.774 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCC[C@H]1C ZINC000457700084 320332427 /nfs/dbraw/zinc/33/24/27/320332427.db2.gz GYCWTEGPEVQFBM-IXDOHACOSA-N 2 0 340.512 1.395 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000458710111 320338985 /nfs/dbraw/zinc/33/89/85/320338985.db2.gz DRKREUQTZGLYLC-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000475045039 320353560 /nfs/dbraw/zinc/35/35/60/320353560.db2.gz IKUQQVJYQDGUMI-MHORFTMASA-N 2 0 335.471 1.549 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000475045041 320353650 /nfs/dbraw/zinc/35/36/50/320353650.db2.gz IKUQQVJYQDGUMI-XSLAGTTESA-N 2 0 335.471 1.549 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280812258 443749118 /nfs/dbraw/zinc/74/91/18/443749118.db2.gz MDMIGDXARVNIKH-UYAOXDASSA-N 2 0 327.472 1.941 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C(=O)NC(N)=O ZINC000298891870 443894527 /nfs/dbraw/zinc/89/45/27/443894527.db2.gz XEGPPMRUUCFZQI-UONOGXRCSA-N 2 0 332.448 1.592 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000285383475 443963468 /nfs/dbraw/zinc/96/34/68/443963468.db2.gz ZKMYCUYWJVXOJD-FHWLQOOXSA-N 2 0 345.487 1.829 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(CCO)CC1)c1ccccc1 ZINC000547464691 320829078 /nfs/dbraw/zinc/82/90/78/320829078.db2.gz AQPUXQGSXMCXDL-SFHVURJKSA-N 2 0 333.476 1.500 20 0 EDADRP CS(=O)(=O)NCCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285424181 443979310 /nfs/dbraw/zinc/97/93/10/443979310.db2.gz DVCUYAXSGKYZQQ-KRWDZBQOSA-N 2 0 337.489 1.134 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000553285324 320939651 /nfs/dbraw/zinc/93/96/51/320939651.db2.gz WKCBRWHSYUJZFX-IRXDYDNUSA-N 2 0 343.475 1.131 20 0 EDADRP CC[NH+]1CCC(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000557860260 321008135 /nfs/dbraw/zinc/00/81/35/321008135.db2.gz XYJOOSCALVAAJO-UHFFFAOYSA-N 2 0 334.464 1.484 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H](C)C(=O)NCC(=O)OC ZINC000560407520 321026806 /nfs/dbraw/zinc/02/68/06/321026806.db2.gz YFLAKHQQEFQCFO-KKUMJFAQSA-N 2 0 327.469 1.154 20 0 EDADRP COc1ccccc1[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)C1CCCC1 ZINC000562956227 321083022 /nfs/dbraw/zinc/08/30/22/321083022.db2.gz PLGUXSQCVZZQPG-IBGZPJMESA-N 2 0 331.460 1.948 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000563139086 321098391 /nfs/dbraw/zinc/09/83/91/321098391.db2.gz VJCBLBSEDRTKLQ-UXHICEINSA-N 2 0 347.503 1.188 20 0 EDADRP [NH3+]C[C@@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000563887922 321114852 /nfs/dbraw/zinc/11/48/52/321114852.db2.gz UAKQWEMEZWKCAB-KRWDZBQOSA-N 2 0 345.487 1.522 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000564641482 321139651 /nfs/dbraw/zinc/13/96/51/321139651.db2.gz WDPZOPSIOVIJOS-GOEBONIOSA-N 2 0 343.537 1.843 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000564909085 321155824 /nfs/dbraw/zinc/15/58/24/321155824.db2.gz NZMSVZYGVCOMTF-UHFFFAOYSA-N 2 0 331.460 1.447 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000565315816 321181794 /nfs/dbraw/zinc/18/17/94/321181794.db2.gz ZHZLXPVXOZNGGP-KBPBESRZSA-N 2 0 336.455 1.753 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1 ZINC000566009859 321210538 /nfs/dbraw/zinc/21/05/38/321210538.db2.gz OZJBAECWWLKTJI-LJIGWXMPSA-N 2 0 346.475 1.180 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000566973676 321237696 /nfs/dbraw/zinc/23/76/96/321237696.db2.gz NNCAEOILRMOQGA-HUUCEWRRSA-N 2 0 346.475 1.505 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000567881196 321264972 /nfs/dbraw/zinc/26/49/72/321264972.db2.gz UQSBLYCJYZWVOH-HUUCEWRRSA-N 2 0 340.512 1.199 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000568739800 321303839 /nfs/dbraw/zinc/30/38/39/321303839.db2.gz SBVPJIRZMKDNOZ-OKZBNKHCSA-N 2 0 349.500 1.689 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000568748090 321304878 /nfs/dbraw/zinc/30/48/78/321304878.db2.gz ADCIFWBFFFXLKA-XJKSGUPXSA-N 2 0 345.491 1.581 20 0 EDADRP CSC1(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000569048053 321315623 /nfs/dbraw/zinc/31/56/23/321315623.db2.gz KRVFDHGLGTVGKN-CQSZACIVSA-N 2 0 328.526 1.455 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1NCC(=O)NCCc1cccc2cccnc21 ZINC000569087435 321318054 /nfs/dbraw/zinc/31/80/54/321318054.db2.gz XKPBUJCMAGJQEP-QGZVFWFLSA-N 2 0 340.471 1.871 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000570207770 321340672 /nfs/dbraw/zinc/34/06/72/321340672.db2.gz OTWRRTAFYLZLRX-AWEZNQCLSA-N 2 0 333.423 1.320 20 0 EDADRP CN1CCN(C(=O)N[C@H]2CCCN(c3ccccc3F)C2)[C@@H](C[NH3+])C1 ZINC000570550123 321347219 /nfs/dbraw/zinc/34/72/19/321347219.db2.gz YVGIDYRMAUIAIJ-GJZGRUSLSA-N 2 0 349.454 1.079 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000571408252 321386347 /nfs/dbraw/zinc/38/63/47/321386347.db2.gz UDLKEBZABZRMSJ-QUCCMNQESA-N 2 0 344.503 1.487 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000571668886 321396039 /nfs/dbraw/zinc/39/60/39/321396039.db2.gz YWWWLOHPQOOJOF-KRWDZBQOSA-N 2 0 342.491 1.946 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000571675994 321396857 /nfs/dbraw/zinc/39/68/57/321396857.db2.gz NQXWQKCCSJMVHP-KBXCAEBGSA-N 2 0 331.460 1.258 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000295177876 444168531 /nfs/dbraw/zinc/16/85/31/444168531.db2.gz MJCORAJYFNMVJZ-GOSISDBHSA-N 2 0 346.519 1.651 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000574563370 321489547 /nfs/dbraw/zinc/48/95/47/321489547.db2.gz QZOQCCUPPBLNAZ-OAUYIBNBSA-N 2 0 337.489 1.633 20 0 EDADRP C=Cn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cn1 ZINC000289854188 444211817 /nfs/dbraw/zinc/21/18/17/444211817.db2.gz QFYDDZRTVTYQEV-UHFFFAOYSA-N 2 0 345.491 1.798 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304955480 444254800 /nfs/dbraw/zinc/25/48/00/444254800.db2.gz YTIRACUSHUSCGY-SJORKVTESA-N 2 0 326.481 1.351 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000290023345 444232178 /nfs/dbraw/zinc/23/21/78/444232178.db2.gz RGXZBYUFFJVJIZ-ZIAGYGMSSA-N 2 0 346.431 1.483 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000296580552 444240047 /nfs/dbraw/zinc/24/00/47/444240047.db2.gz WWAATRRPAGQAJD-SFHVURJKSA-N 2 0 340.427 1.543 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000304023246 444240787 /nfs/dbraw/zinc/24/07/87/444240787.db2.gz YPIFMIYGKWRZOG-KRWDZBQOSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CC3(C[NH3+])CC3)nc2)CC1 ZINC000577727466 321677057 /nfs/dbraw/zinc/67/70/57/321677057.db2.gz KZBPACAUONFGFZ-UHFFFAOYSA-N 2 0 331.464 1.680 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H]2CCCC[C@@H]2O)CC1 ZINC000305826207 444282207 /nfs/dbraw/zinc/28/22/07/444282207.db2.gz SMRFCDLHIKIIJG-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731163 444289907 /nfs/dbraw/zinc/28/99/07/444289907.db2.gz PDJOTNMFTHDGEU-SJORKVTESA-N 2 0 333.501 1.720 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCCN(C=O)CC3)c2cc1C ZINC000297757201 444329807 /nfs/dbraw/zinc/32/98/07/444329807.db2.gz UQLTXPWOVZDPGV-INIZCTEOSA-N 2 0 330.432 1.178 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000578767851 321828747 /nfs/dbraw/zinc/82/87/47/321828747.db2.gz ZWCOOPCQPRBRSK-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H](CC(N)=O)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469561 444390945 /nfs/dbraw/zinc/39/09/45/444390945.db2.gz KSAUTQJTAVMWHV-FUHWJXTLSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@H](CC(N)=O)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469557 444391017 /nfs/dbraw/zinc/39/10/17/444391017.db2.gz KSAUTQJTAVMWHV-AEFFLSMTSA-N 2 0 345.487 1.769 20 0 EDADRP CCCOc1cccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000578997028 321866966 /nfs/dbraw/zinc/86/69/66/321866966.db2.gz CAMNFUGBFOJYAP-SFHVURJKSA-N 2 0 335.492 1.216 20 0 EDADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000579333915 321920304 /nfs/dbraw/zinc/92/03/04/321920304.db2.gz GWYXATUCQLTTDH-SFHVURJKSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000580074341 322006241 /nfs/dbraw/zinc/00/62/41/322006241.db2.gz PFKZUWIJSRZDBZ-UXLLHSPISA-N 2 0 346.475 1.182 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]CC2CC[NH+](CC)CC2)c1C ZINC000580151066 322014342 /nfs/dbraw/zinc/01/43/42/322014342.db2.gz WUOAKIJTAPDTCW-UHFFFAOYSA-N 2 0 336.480 1.885 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1Cl ZINC000580543692 322063843 /nfs/dbraw/zinc/06/38/43/322063843.db2.gz ODCGNSWNHSZJER-CABCVRRESA-N 2 0 341.883 1.305 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)Cc1ccccc1 ZINC000580545198 322064166 /nfs/dbraw/zinc/06/41/66/322064166.db2.gz IALZFAGNABCKPB-LEWJYISDSA-N 2 0 340.467 1.946 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000580547820 322064689 /nfs/dbraw/zinc/06/46/89/322064689.db2.gz WXUMHZYIMSKAIF-IEBWSBKVSA-N 2 0 328.460 1.372 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)CCCC[NH3+])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000581308414 322162139 /nfs/dbraw/zinc/16/21/39/322162139.db2.gz MUGLZWFASDUUDO-KRWDZBQOSA-N 2 0 346.475 1.920 20 0 EDADRP Cc1nc2cc(NC(=O)C(=O)N(C)C[C@H]3CCC[N@@H+]3C)ccc2n1C ZINC000581660700 322204615 /nfs/dbraw/zinc/20/46/15/322204615.db2.gz WBIBJNOEHOJUPF-CQSZACIVSA-N 2 0 343.431 1.373 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000343746337 444561383 /nfs/dbraw/zinc/56/13/83/444561383.db2.gz FQPDBEPZNLJXQE-UHFFFAOYSA-N 2 0 345.491 1.391 20 0 EDADRP C[C@@H]1C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340912242 444571518 /nfs/dbraw/zinc/57/15/18/444571518.db2.gz FRLQZGOFTHJOFW-QAPCUYQASA-N 2 0 331.460 1.354 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3c(c2)nnn3C)C[C@@H](C)O1 ZINC000343782277 444588019 /nfs/dbraw/zinc/58/80/19/444588019.db2.gz NRTTUJVQKSRZLL-HUUCEWRRSA-N 2 0 331.464 1.947 20 0 EDADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000342260956 444596836 /nfs/dbraw/zinc/59/68/36/444596836.db2.gz QBDHUKABDBYINT-ROUUACIJSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342288864 444614940 /nfs/dbraw/zinc/61/49/40/444614940.db2.gz ADMJCIGYCKJOHO-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000338300361 444618223 /nfs/dbraw/zinc/61/82/23/444618223.db2.gz GWOOLHNMGGJXBY-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP C[C@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919648 444668405 /nfs/dbraw/zinc/66/84/05/444668405.db2.gz GXELZUDWBDMLJE-SQNIBIBYSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@H](C)C[NH2+]1 ZINC000333858939 444703737 /nfs/dbraw/zinc/70/37/37/444703737.db2.gz YXMAUFGOSPFDIP-PNBKFKSVSA-N 2 0 348.495 1.195 20 0 EDADRP CC(=O)Nc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333891198 444709959 /nfs/dbraw/zinc/70/99/59/444709959.db2.gz XDFGCCJVZXGDJW-MSOLQXFVSA-N 2 0 329.444 1.845 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000333926220 444720060 /nfs/dbraw/zinc/72/00/60/444720060.db2.gz VGKABDOXTOFQHZ-IECFSIQFSA-N 2 0 328.460 1.511 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NCC[N@H+](C)CCCOC)CC1 ZINC000341199390 444723908 /nfs/dbraw/zinc/72/39/08/444723908.db2.gz KIYXLEJAIHPVNN-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333946518 444726201 /nfs/dbraw/zinc/72/62/01/444726201.db2.gz USEDECSVEFXNTC-OWCLPIDISA-N 2 0 340.512 1.421 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000333948633 444726744 /nfs/dbraw/zinc/72/67/44/444726744.db2.gz WMNYHFCLIRYKEI-CABCVRRESA-N 2 0 340.537 1.775 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@@H]1CC ZINC000341204657 444728057 /nfs/dbraw/zinc/72/80/57/444728057.db2.gz QAYVGVTXNVQBLE-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000344013412 444728176 /nfs/dbraw/zinc/72/81/76/444728176.db2.gz OYGARJFHVOFNPP-CVEARBPZSA-N 2 0 343.537 1.383 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000333781409 444696892 /nfs/dbraw/zinc/69/68/92/444696892.db2.gz KWPCYUXHRKBDSH-ULQDDVLXSA-N 2 0 332.448 1.191 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC000342549654 444740864 /nfs/dbraw/zinc/74/08/64/444740864.db2.gz WYKXGSNBZBTIHE-HRCADAONSA-N 2 0 325.497 1.865 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000341257907 444751542 /nfs/dbraw/zinc/75/15/42/444751542.db2.gz KLSSCONRJZXNAL-NVXWUHKLSA-N 2 0 330.476 1.883 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccccc1 ZINC000341273536 444757000 /nfs/dbraw/zinc/75/70/00/444757000.db2.gz BURVFJFDOHTXPW-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP Cn1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2ccccc21 ZINC000625540036 450416575 /nfs/dbraw/zinc/41/65/75/450416575.db2.gz BFIYVYXKQMKIKO-UHFFFAOYSA-N 2 0 345.491 1.919 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCC[NH+](C)C)CCCC2)CC1 ZINC000342676347 444809149 /nfs/dbraw/zinc/80/91/49/444809149.db2.gz IMYNNNBQDIIERG-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC2(O)CCC2)CC1 ZINC000341400646 444811634 /nfs/dbraw/zinc/81/16/34/444811634.db2.gz RSTJPEVNKTVSED-UHFFFAOYSA-N 2 0 333.476 1.664 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341409037 444815436 /nfs/dbraw/zinc/81/54/36/444815436.db2.gz XFWANQHGTWPNDC-UHFFFAOYSA-N 2 0 345.535 1.662 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)nn1 ZINC000342805786 444874266 /nfs/dbraw/zinc/87/42/66/444874266.db2.gz JOFUAFXXCCKSAN-HOCLYGCPSA-N 2 0 349.479 1.697 20 0 EDADRP COC[C@H]1C[C@@H](OC)C[N@@H+]1C/C=C\C[NH+]1C[C@@H](OC)C[C@H]1COC ZINC000344360332 444918870 /nfs/dbraw/zinc/91/88/70/444918870.db2.gz WYRWTYHIGGROOJ-HMBYZQHASA-N 2 0 342.480 1.014 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000341749944 444984385 /nfs/dbraw/zinc/98/43/85/444984385.db2.gz WGLMAZRTJDLDIL-IEBWSBKVSA-N 2 0 344.503 1.513 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H](O)[C@@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000344478509 444999862 /nfs/dbraw/zinc/99/98/62/444999862.db2.gz IJYGVAMITCVXID-YLJYHZDGSA-N 2 0 347.503 1.704 20 0 EDADRP CCOC(=O)COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000344554537 445056018 /nfs/dbraw/zinc/05/60/18/445056018.db2.gz PTGFSSXYGQFIPP-UHFFFAOYSA-N 2 0 336.432 1.175 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000343199638 445130031 /nfs/dbraw/zinc/13/00/31/445130031.db2.gz FQUWJOVEMATHHT-HOTGVXAUSA-N 2 0 339.480 1.982 20 0 EDADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337479096 445099037 /nfs/dbraw/zinc/09/90/37/445099037.db2.gz ZURUFGADOGVFAK-SFHVURJKSA-N 2 0 346.519 1.775 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343176313 445116522 /nfs/dbraw/zinc/11/65/22/445116522.db2.gz ZXDVNLROUKYPBH-HOTGVXAUSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343177390 445118241 /nfs/dbraw/zinc/11/82/41/445118241.db2.gz KCFBQWAGEKAOJC-JKSUJKDBSA-N 2 0 340.512 1.071 20 0 EDADRP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)CCN2CCCC2=O)CCCN1C ZINC000346900213 445227487 /nfs/dbraw/zinc/22/74/87/445227487.db2.gz VLTYEGYHWCEIFG-YJBOKZPZSA-N 2 0 333.480 1.357 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000347534462 445242251 /nfs/dbraw/zinc/24/22/51/445242251.db2.gz AAMWXXATCONZFM-ZJIFWQFVSA-N 2 0 326.485 1.220 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000354532675 445283541 /nfs/dbraw/zinc/28/35/41/445283541.db2.gz KKXUHOLSMBAHME-NJINODPHSA-N 2 0 340.512 1.203 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000359742454 445402850 /nfs/dbraw/zinc/40/28/50/445402850.db2.gz JLMVLRAAODFXJT-DOTOQJQBSA-N 2 0 325.497 1.866 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354836091 445417029 /nfs/dbraw/zinc/41/70/29/445417029.db2.gz AVXFHGJMXBNWEW-RTBURBONSA-N 2 0 344.503 1.574 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000352073618 445473736 /nfs/dbraw/zinc/47/37/36/445473736.db2.gz HTBOWDSBQISTOP-HNNXBMFYSA-N 2 0 326.485 1.294 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000355067786 445442498 /nfs/dbraw/zinc/44/24/98/445442498.db2.gz YNIIAIRKDXOGGX-ZIFCJYIRSA-N 2 0 346.519 1.820 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564831 445442772 /nfs/dbraw/zinc/44/27/72/445442772.db2.gz OHQIKIBRDSVIHH-HUUCEWRRSA-N 2 0 333.480 1.729 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000360002215 445522156 /nfs/dbraw/zinc/52/21/56/445522156.db2.gz ANOOFHZQNROBOO-IAGOWNOFSA-N 2 0 337.489 1.415 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000359927267 445492606 /nfs/dbraw/zinc/49/26/06/445492606.db2.gz XDPWFDYEAHPJFS-IAGOWNOFSA-N 2 0 342.528 1.499 20 0 EDADRP COCCOc1cccc(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1 ZINC000362677449 445494043 /nfs/dbraw/zinc/49/40/43/445494043.db2.gz YJSRGMMHCZOTAD-QGZVFWFLSA-N 2 0 347.459 1.108 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000362759311 445536170 /nfs/dbraw/zinc/53/61/70/445536170.db2.gz ZBNLHMNXQVCXSC-INMHGKMJSA-N 2 0 340.537 1.549 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC1 ZINC000360080747 445557015 /nfs/dbraw/zinc/55/70/15/445557015.db2.gz AXIAUZXMBHQLHZ-KRWDZBQOSA-N 2 0 344.503 1.187 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2c1OCCCO2 ZINC000349295443 445557480 /nfs/dbraw/zinc/55/74/80/445557480.db2.gz JIQFUZFCLBWUGD-UHFFFAOYSA-N 2 0 333.476 1.917 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000353108109 445574965 /nfs/dbraw/zinc/57/49/65/445574965.db2.gz FHLAKCTVHZDCNO-GVDBMIGSSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC[NH+](CC)C(C)C ZINC000349439913 445588027 /nfs/dbraw/zinc/58/80/27/445588027.db2.gz ZWIRUEGFJLRJDO-MRXNPFEDSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000362772201 445542952 /nfs/dbraw/zinc/54/29/52/445542952.db2.gz DYTJSIYPPYSUAU-QFBILLFUSA-N 2 0 345.487 1.975 20 0 EDADRP Cc1nn2c(C[NH2+]CCOCC[NH+](C)C)c(C(C)C)nc2s1 ZINC000349249524 445546506 /nfs/dbraw/zinc/54/65/06/445546506.db2.gz CYURRSNBQGQDTO-UHFFFAOYSA-N 2 0 325.482 1.890 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000358157254 445607978 /nfs/dbraw/zinc/60/79/78/445607978.db2.gz HDKAZAKKAHKEPF-JKSUJKDBSA-N 2 0 328.501 1.371 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000353502889 445632459 /nfs/dbraw/zinc/63/24/59/445632459.db2.gz MQSIPXBORHEYDN-HJWJTTGWSA-N 2 0 348.443 1.617 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000363008551 445647407 /nfs/dbraw/zinc/64/74/07/445647407.db2.gz CJNZAPGJQWZQEQ-QGZVFWFLSA-N 2 0 325.497 1.534 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000356180249 445664501 /nfs/dbraw/zinc/66/45/01/445664501.db2.gz IWOFQIUJIYBDAS-INIZCTEOSA-N 2 0 334.464 1.138 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000356204965 445674294 /nfs/dbraw/zinc/67/42/94/445674294.db2.gz KUPYIYOMJURQGM-INIZCTEOSA-N 3 0 341.544 1.384 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000349915982 445720661 /nfs/dbraw/zinc/72/06/61/445720661.db2.gz NXJGWOVWBYLKEQ-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000349888387 445713704 /nfs/dbraw/zinc/71/37/04/445713704.db2.gz ILGOEDNAORBWNX-SFHVURJKSA-N 2 0 328.497 1.597 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000356277935 445713756 /nfs/dbraw/zinc/71/37/56/445713756.db2.gz JCKBVTCURQOPPX-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000349900277 445716184 /nfs/dbraw/zinc/71/61/84/445716184.db2.gz XQHLIROCCQVKQS-SFHVURJKSA-N 2 0 341.540 1.512 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[NH2+][C@@H](C)C3)cn2)CC1 ZINC000358688760 445718511 /nfs/dbraw/zinc/71/85/11/445718511.db2.gz SXZYVRGAPDLIPP-DOTOQJQBSA-N 2 0 345.491 1.228 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C(C)C ZINC000349757019 445668084 /nfs/dbraw/zinc/66/80/84/445668084.db2.gz JQLFKGPKWCTNEY-HNNXBMFYSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)[N@H+](C)Cc1ccccc1 ZINC000353769696 445747180 /nfs/dbraw/zinc/74/71/80/445747180.db2.gz DXADHVFMZDIMRQ-KRWDZBQOSA-N 2 0 343.475 2.294 20 0 EDADRP COCC1(C)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358746772 445755773 /nfs/dbraw/zinc/75/57/73/445755773.db2.gz QVIOHVDKNJOPJF-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000363481454 445823330 /nfs/dbraw/zinc/82/33/30/445823330.db2.gz SCGAIBIRDOCLMQ-WOJBJXKFSA-N 2 0 331.504 1.549 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000358877127 445826573 /nfs/dbraw/zinc/82/65/73/445826573.db2.gz DIMBIHJLNBGULN-YOEHRIQHSA-N 2 0 335.423 1.049 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000358804103 445783358 /nfs/dbraw/zinc/78/33/58/445783358.db2.gz IIPRFYVHDJTDEO-ROUUACIJSA-N 2 0 325.497 1.632 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000350204860 445792818 /nfs/dbraw/zinc/79/28/18/445792818.db2.gz GDXHKTWQTGLSGT-BRWVUGGUSA-N 2 0 341.496 1.103 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000358831134 445798512 /nfs/dbraw/zinc/79/85/12/445798512.db2.gz PSBWPUONKSTFKZ-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(C(=O)NC)c2)C1 ZINC000350244488 445799102 /nfs/dbraw/zinc/79/91/02/445799102.db2.gz DBLCIWNPIQUKJZ-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)c2ccccc2O1 ZINC000361699271 445883695 /nfs/dbraw/zinc/88/36/95/445883695.db2.gz FNRJHAZFKVTTQX-HUUCEWRRSA-N 2 0 329.444 1.732 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356559805 445859244 /nfs/dbraw/zinc/85/92/44/445859244.db2.gz XBOXJTLIVHYXCC-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000582127092 325781962 /nfs/dbraw/zinc/78/19/62/325781962.db2.gz IBSVNTYWRVZMPR-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@]1(O)CCC[NH+](CCOCC[N@H+]2CCC[C@@](C)(O)CC2)CC1 ZINC000369129408 445944015 /nfs/dbraw/zinc/94/40/15/445944015.db2.gz DQTPCAJCAUQGPI-QZTJIDSGSA-N 2 0 328.497 1.477 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nc(C)c(C)nc1C ZINC000361761238 445922001 /nfs/dbraw/zinc/92/20/01/445922001.db2.gz WSCNBHVDCVYDSF-QGZVFWFLSA-N 2 0 347.507 1.890 20 0 EDADRP Cc1cc(NC[C@]2(N3CCOCC3)CCCOC2)nc(C2CC2)n1 ZINC000364438309 445922303 /nfs/dbraw/zinc/92/23/03/445922303.db2.gz PPCDOXFTZQTKDN-GOSISDBHSA-N 2 0 332.448 1.956 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC(n3ccnc3)CC2)CCCO1 ZINC000372987042 445960551 /nfs/dbraw/zinc/96/05/51/445960551.db2.gz XKXJDWVYNCTXIK-INIZCTEOSA-N 2 0 349.479 1.731 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC000369158819 445961823 /nfs/dbraw/zinc/96/18/23/445961823.db2.gz ZBDLCYWNZNTNGT-UHFFFAOYSA-N 2 0 344.503 1.778 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000582555915 325873301 /nfs/dbraw/zinc/87/33/01/325873301.db2.gz RWYBSXFKHWNJGV-DLBZAZTESA-N 2 0 337.533 1.757 20 0 EDADRP Cn1cncc1CCC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000582972966 325972651 /nfs/dbraw/zinc/97/26/51/325972651.db2.gz XLILGVDSYIJSAK-UHFFFAOYSA-N 2 0 333.524 1.702 20 0 EDADRP C[C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000583203664 326026312 /nfs/dbraw/zinc/02/63/12/326026312.db2.gz QCQWDLJEBARKRG-PILAGYSTSA-N 2 0 331.460 1.677 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000583575108 326098789 /nfs/dbraw/zinc/09/87/89/326098789.db2.gz SRZPLMMDOKQPEO-UHFFFAOYSA-N 2 0 343.431 1.910 20 0 EDADRP CC[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000583682520 326117043 /nfs/dbraw/zinc/11/70/43/326117043.db2.gz ZFTNECUENGUHCO-QZTJIDSGSA-N 2 0 330.476 1.875 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@H]3CCN(C)[C@H](C)C3)CC2)c1=O ZINC000365154457 446057321 /nfs/dbraw/zinc/05/73/21/446057321.db2.gz IGNZHNUMQSUTPA-ZBFHGGJFSA-N 2 0 333.480 1.304 20 0 EDADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)n1 ZINC000356874459 446088339 /nfs/dbraw/zinc/08/83/39/446088339.db2.gz QGXNZCRGWPIHEK-OKZBNKHCSA-N 2 0 325.460 1.858 20 0 EDADRP COc1cc(C)sc1C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000369325167 446074222 /nfs/dbraw/zinc/07/42/22/446074222.db2.gz NTBWWWQDSALSFX-ZDUSSCGKSA-N 2 0 337.489 1.963 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361931703 446081595 /nfs/dbraw/zinc/08/15/95/446081595.db2.gz YECZRPDZRLVFHD-CQSZACIVSA-N 2 0 342.443 1.972 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359262868 446098372 /nfs/dbraw/zinc/09/83/72/446098372.db2.gz HFLVYRNJOFBINM-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000351520641 446123938 /nfs/dbraw/zinc/12/39/38/446123938.db2.gz HSGSMYJQDLTUJW-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc(Br)cc1 ZINC000359295180 446128848 /nfs/dbraw/zinc/12/88/48/446128848.db2.gz BTIGDXXLUORJID-RYUDHWBXSA-N 2 0 338.249 1.929 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000351579101 446176548 /nfs/dbraw/zinc/17/65/48/446176548.db2.gz FJTDWXQVKOTIPP-UHFFFAOYSA-N 2 0 348.491 1.481 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407869 446183749 /nfs/dbraw/zinc/18/37/49/446183749.db2.gz KTTGFVAYQFNHCT-ROUUACIJSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[NH+]1CCC(C)CC1 ZINC000373434670 446216803 /nfs/dbraw/zinc/21/68/03/446216803.db2.gz IIIGWVUCEBGYSV-YYAJDYIMSA-N 2 0 337.508 1.756 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000362219895 446269593 /nfs/dbraw/zinc/26/95/93/446269593.db2.gz LWKBHYKKTHEOPW-FGTMMUONSA-N 2 0 325.497 1.188 20 0 EDADRP Cc1noc(C)c1CN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000366633490 446287775 /nfs/dbraw/zinc/28/77/75/446287775.db2.gz KTEFCTYBNZLQRR-CRAIPNDOSA-N 2 0 332.448 1.325 20 0 EDADRP CCn1ccnc1CN1CCC[N@H+](Cc2c[nH]c3nccnc23)CC1 ZINC000365656050 446289715 /nfs/dbraw/zinc/28/97/15/446289715.db2.gz JSOPINWNIXGBCN-UHFFFAOYSA-N 2 0 339.447 1.834 20 0 EDADRP CC[NH+]1CCC[C@@H](Nc2nc(C)nc(N[C@@H]3CCC[N@@H+](CC)C3)n2)C1 ZINC000359589549 446307486 /nfs/dbraw/zinc/30/74/86/446307486.db2.gz JRCOXFQPOAGAMY-HZPDHXFCSA-N 2 0 347.511 1.972 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[N@@H+](CC[C@H]4CCCC[NH+]4C)C[C@@H]3C2)no1 ZINC000370503525 446308611 /nfs/dbraw/zinc/30/86/11/446308611.db2.gz UQZHJMIDOGZWJD-IXDOHACOSA-N 2 0 347.507 1.870 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1SC ZINC000362322205 446319493 /nfs/dbraw/zinc/31/94/93/446319493.db2.gz MCVNYWNBOZEBAD-BYNSBNAKSA-N 2 0 329.510 1.072 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000373907520 446340898 /nfs/dbraw/zinc/34/08/98/446340898.db2.gz RMKJNVGJJIKQPK-SFHVURJKSA-N 2 0 331.460 1.622 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)o1 ZINC000417415619 446350870 /nfs/dbraw/zinc/35/08/70/446350870.db2.gz GIRVBVLBQHSLRA-PMPSAXMXSA-N 2 0 332.448 1.728 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@@H]1[NH3+] ZINC000417480099 446353698 /nfs/dbraw/zinc/35/36/98/446353698.db2.gz LPNZHQFLMDEBON-PBHICJAKSA-N 2 0 334.464 1.506 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417369489 446349387 /nfs/dbraw/zinc/34/93/87/446349387.db2.gz SGHWOXHDLMODEB-DOTOQJQBSA-N 2 0 348.491 1.944 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000417369913 446349398 /nfs/dbraw/zinc/34/93/98/446349398.db2.gz RYVCPMBZXLLKBZ-CJNGLKHVSA-N 2 0 336.505 1.997 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000418059076 446427380 /nfs/dbraw/zinc/42/73/80/446427380.db2.gz SONJWJWBBNBPDI-OKZBNKHCSA-N 2 0 330.476 1.669 20 0 EDADRP CN(C(=O)NCc1ccn(C)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376324433 446428397 /nfs/dbraw/zinc/42/83/97/446428397.db2.gz YMYUTDPOLKECGK-QGZVFWFLSA-N 2 0 333.480 1.335 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000370770652 446429024 /nfs/dbraw/zinc/42/90/24/446429024.db2.gz DVNXHRJWRNHYNK-OLMNPRSZSA-N 2 0 331.460 1.765 20 0 EDADRP O=C(Nc1ccn2ccnc2c1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000411215186 446429432 /nfs/dbraw/zinc/42/94/32/446429432.db2.gz QODLZNRRQFNCOV-AWEZNQCLSA-N 2 0 341.415 1.406 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000370789274 446442749 /nfs/dbraw/zinc/44/27/49/446442749.db2.gz WMOUUZOKFHXTHO-SJORKVTESA-N 2 0 333.501 1.814 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418175934 446446989 /nfs/dbraw/zinc/44/69/89/446446989.db2.gz GINQIIISYUZSPK-CQSZACIVSA-N 2 0 334.464 1.696 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417989595 446408662 /nfs/dbraw/zinc/40/86/62/446408662.db2.gz TYONWTKGYRRYST-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417989472 446409293 /nfs/dbraw/zinc/40/92/93/446409293.db2.gz LJANGGUGBMZATA-MORSLUCNSA-N 2 0 346.475 1.962 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(CC[NH3+])CCO ZINC000418040438 446423095 /nfs/dbraw/zinc/42/30/95/446423095.db2.gz VRSPJSACTJYTBL-KRWDZBQOSA-N 2 0 336.480 1.106 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000370765540 446424271 /nfs/dbraw/zinc/42/42/71/446424271.db2.gz FTHZWBFURXFKKY-UHFFFAOYSA-N 2 0 344.503 1.017 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000370766140 446424319 /nfs/dbraw/zinc/42/43/19/446424319.db2.gz KBYJGRGKLVRUNK-CBZIJGRNSA-N 2 0 330.476 1.926 20 0 EDADRP Brc1cccc2c1C[C@H]([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000423211519 446455326 /nfs/dbraw/zinc/45/53/26/446455326.db2.gz YNMNNNRDHHYNAN-CQSZACIVSA-N 2 0 338.293 1.801 20 0 EDADRP CCOC1CC(C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000376373396 446460740 /nfs/dbraw/zinc/46/07/40/446460740.db2.gz CJLYXTZQOZSXDZ-FUDRRUEFSA-N 2 0 335.492 1.571 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(C)s1 ZINC000420301354 446463090 /nfs/dbraw/zinc/46/30/90/446463090.db2.gz VPADYQHRCXHZJZ-LBPRGKRZSA-N 2 0 339.461 1.130 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418231099 446466243 /nfs/dbraw/zinc/46/62/43/446466243.db2.gz FWHCAFJUJGKDBE-BMFZPTHFSA-N 2 0 326.485 1.253 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)c1 ZINC000423256929 446467103 /nfs/dbraw/zinc/46/71/03/446467103.db2.gz GRVRQBJMKMXYTE-UONOGXRCSA-N 2 0 325.478 1.635 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)C(=O)OC ZINC000420308839 446471919 /nfs/dbraw/zinc/47/19/19/446471919.db2.gz DNQPVHJHKDKZQB-YSVLISHTSA-N 2 0 339.480 1.012 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000420310504 446473703 /nfs/dbraw/zinc/47/37/03/446473703.db2.gz GDAOXECAAZASEF-MSOLQXFVSA-N 2 0 330.476 1.232 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418284308 446484391 /nfs/dbraw/zinc/48/43/91/446484391.db2.gz BNVKZQWRFABEIA-ROUUACIJSA-N 2 0 346.475 1.582 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)NCCC[NH2+]C2CC2)C1 ZINC000418284074 446484489 /nfs/dbraw/zinc/48/44/89/446484489.db2.gz ASKNAVDXZYISES-KRWDZBQOSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420322251 446487022 /nfs/dbraw/zinc/48/70/22/446487022.db2.gz SHDJSZXFTVDAJU-KBPBESRZSA-N 2 0 325.478 1.717 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000423328851 446489924 /nfs/dbraw/zinc/48/99/24/446489924.db2.gz MGXCSURTTUSYEZ-BBRMVZONSA-N 2 0 325.478 1.635 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@H]21 ZINC000418330047 446501849 /nfs/dbraw/zinc/50/18/49/446501849.db2.gz PGXAXLCDJMZHOR-ZWKOTPCHSA-N 2 0 345.491 1.687 20 0 EDADRP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333692 446503317 /nfs/dbraw/zinc/50/33/17/446503317.db2.gz FPBDVDKQFWSHOF-GJZGRUSLSA-N 2 0 347.459 1.964 20 0 EDADRP Cc1cccc2nc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)cc(=O)n12 ZINC000420335601 446505823 /nfs/dbraw/zinc/50/58/23/446505823.db2.gz KOKPBESIKWRNEF-QGZVFWFLSA-N 2 0 326.444 1.967 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423373422 446506579 /nfs/dbraw/zinc/50/65/79/446506579.db2.gz BUGGKUKIXDJVMB-HOCLYGCPSA-N 2 0 325.497 1.316 20 0 EDADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@@H]21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420337766 446507534 /nfs/dbraw/zinc/50/75/34/446507534.db2.gz KBOLLOBEBSYTGZ-MOPGFXCFSA-N 2 0 342.487 1.192 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000418359042 446514091 /nfs/dbraw/zinc/51/40/91/446514091.db2.gz RXPWBAYSBCOAAX-IRXDYDNUSA-N 2 0 334.464 1.569 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C(CC)(CC)CC(=O)OC)CC1 ZINC000411390498 446514870 /nfs/dbraw/zinc/51/48/70/446514870.db2.gz NIKWVQDVTYIECQ-UHFFFAOYSA-N 2 0 327.469 1.298 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1)Cc1ccccc1 ZINC000423394389 446515171 /nfs/dbraw/zinc/51/51/71/446515171.db2.gz ZOTSOWJGPXUGOX-QUCCMNQESA-N 2 0 342.487 1.015 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@@H+](C2CC2)C1 ZINC000418328313 446501079 /nfs/dbraw/zinc/50/10/79/446501079.db2.gz NPUDYXACVPUUQN-MRXNPFEDSA-N 2 0 345.491 1.687 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418476795 446558068 /nfs/dbraw/zinc/55/80/68/446558068.db2.gz XJWCPPIRVVEVRT-HOTGVXAUSA-N 2 0 339.528 1.314 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000418478704 446558411 /nfs/dbraw/zinc/55/84/11/446558411.db2.gz XLITVRMVWBZDLP-HNNXBMFYSA-N 2 0 334.464 1.507 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H]1C ZINC000423517301 446559472 /nfs/dbraw/zinc/55/94/72/446559472.db2.gz XVKSGYBLEJHOQD-VGAKTEPXSA-N 2 0 337.508 1.770 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)cc1 ZINC000418480384 446559461 /nfs/dbraw/zinc/55/94/61/446559461.db2.gz CIMXAAHSOPEYEP-KKUMJFAQSA-N 2 0 334.464 1.303 20 0 EDADRP O=C(NCC1C[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418480657 446559597 /nfs/dbraw/zinc/55/95/97/446559597.db2.gz CCAWHOZSRPLGBA-MSOLQXFVSA-N 2 0 328.460 1.369 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000433348644 446559649 /nfs/dbraw/zinc/55/96/49/446559649.db2.gz WLLBWNSHDCQSBF-MRXNPFEDSA-N 2 0 329.448 2.076 20 0 EDADRP CN(CC1CCCCC1)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420387767 446562811 /nfs/dbraw/zinc/56/28/11/446562811.db2.gz KXFHULOZEUEWNO-MSOLQXFVSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423416394 446525353 /nfs/dbraw/zinc/52/53/53/446525353.db2.gz CMDMDVOGFYDTSZ-HZPDHXFCSA-N 2 0 345.491 1.967 20 0 EDADRP O=C(CC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000420366347 446545985 /nfs/dbraw/zinc/54/59/85/446545985.db2.gz UCGVFFGHSYDJFK-MRXNPFEDSA-N 2 0 327.432 1.105 20 0 EDADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420369738 446549420 /nfs/dbraw/zinc/54/94/20/446549420.db2.gz CAAIXKWUWSHSKF-MRXNPFEDSA-N 2 0 345.447 1.851 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423473392 446550600 /nfs/dbraw/zinc/55/06/00/446550600.db2.gz YFECCFTZNWXQSC-BWDFJHHZSA-N 2 0 335.492 1.652 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418460730 446552533 /nfs/dbraw/zinc/55/25/33/446552533.db2.gz KIHHZXJWPJNPHX-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376242 446552811 /nfs/dbraw/zinc/55/28/11/446552811.db2.gz QFHPRKXABZWRPJ-HZEGPAAWSA-N 2 0 343.515 1.866 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000418603015 446611595 /nfs/dbraw/zinc/61/15/95/446611595.db2.gz WJKZZGUKJPEYGR-JCYILVPMSA-N 2 0 337.512 1.020 20 0 EDADRP C[N@H+](CCNC(=O)OC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367678959 446572898 /nfs/dbraw/zinc/57/28/98/446572898.db2.gz QDWSJOIZWKCRLW-INIZCTEOSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418510494 446573324 /nfs/dbraw/zinc/57/33/24/446573324.db2.gz CEOYZCFRQXPHBF-KURKYZTESA-N 2 0 328.460 1.369 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CC[NH+](C)C2)CCCO1 ZINC000433450340 446574416 /nfs/dbraw/zinc/57/44/16/446574416.db2.gz MPPZRIMJUFIPOB-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CN(C(=O)C[NH+]1CCC(O)(C[NH3+])CC1)[C@H]1CCCc2ccccc21 ZINC000420407081 446579785 /nfs/dbraw/zinc/57/97/85/446579785.db2.gz SOMPXIZNMLEFEP-KRWDZBQOSA-N 2 0 331.460 1.308 20 0 EDADRP CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524464 446582496 /nfs/dbraw/zinc/58/24/96/446582496.db2.gz AWDCXEYBBZJVIU-KBPBESRZSA-N 2 0 327.469 1.153 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000418537868 446585571 /nfs/dbraw/zinc/58/55/71/446585571.db2.gz DDBKJXDBNAJYHS-DJIMGWMZSA-N 2 0 332.448 1.192 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418563341 446595580 /nfs/dbraw/zinc/59/55/80/446595580.db2.gz HRGKIDVWFPQVBW-AXAPSJFSSA-N 2 0 340.418 1.837 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)NC[C@H](C)[NH2+]C)[C@H](C)C1 ZINC000418627075 446619992 /nfs/dbraw/zinc/61/99/92/446619992.db2.gz MRHNNJWRWFKFOS-JKSUJKDBSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658142 446637533 /nfs/dbraw/zinc/63/75/33/446637533.db2.gz JCSBGXCWBJRSDI-GCDKYVQMSA-N 2 0 334.508 1.746 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434351847 446637854 /nfs/dbraw/zinc/63/78/54/446637854.db2.gz LTKCMVDMYPXSPE-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434351849 446637959 /nfs/dbraw/zinc/63/79/59/446637959.db2.gz LTKCMVDMYPXSPE-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418684651 446646677 /nfs/dbraw/zinc/64/66/77/446646677.db2.gz LKEAAQHPVCQIJO-OKZBNKHCSA-N 2 0 330.476 1.868 20 0 EDADRP COCC[C@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000376696182 446657177 /nfs/dbraw/zinc/65/71/77/446657177.db2.gz UNRXYYNZIFFEMP-LJQANCHMSA-N 2 0 346.475 1.393 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418737680 446661174 /nfs/dbraw/zinc/66/11/74/446661174.db2.gz YKZPPQVZEAUIGA-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418757337 446677526 /nfs/dbraw/zinc/67/75/26/446677526.db2.gz YYLZAYMBLNYSKD-AWEZNQCLSA-N 2 0 326.391 1.544 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000423738627 446670021 /nfs/dbraw/zinc/67/00/21/446670021.db2.gz UZZVDLOMBVVEAS-QUCCMNQESA-N 2 0 343.471 1.729 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375257259 446673988 /nfs/dbraw/zinc/67/39/88/446673988.db2.gz XOQOOUGXGQNPOJ-UYAOXDASSA-N 2 0 343.471 1.829 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418633316 446625413 /nfs/dbraw/zinc/62/54/13/446625413.db2.gz DDEGLKIMROWEBS-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP COCC1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CC[NH2+]CC1 ZINC000418636417 446626787 /nfs/dbraw/zinc/62/67/87/446626787.db2.gz HCTVBJKVRMJISZ-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP COCC1(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000418648984 446632236 /nfs/dbraw/zinc/63/22/36/446632236.db2.gz ULDDFEMUKNAQAF-UHFFFAOYSA-N 2 0 340.512 1.376 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418794504 446706125 /nfs/dbraw/zinc/70/61/25/446706125.db2.gz POJPFACCGWVPDT-YESZJQIVSA-N 2 0 340.512 1.374 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000418803095 446711770 /nfs/dbraw/zinc/71/17/70/446711770.db2.gz YPBKFNBTDCGBOT-UNEWFSDZSA-N 2 0 334.464 1.725 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418815495 446720686 /nfs/dbraw/zinc/72/06/86/446720686.db2.gz KOCMMYYSXJSJND-IBGZPJMESA-N 2 0 346.475 1.011 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423833584 446721045 /nfs/dbraw/zinc/72/10/45/446721045.db2.gz TUKBGAPTNLEGIU-ZTFGCOKTSA-N 2 0 329.444 1.699 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000423834631 446723309 /nfs/dbraw/zinc/72/33/09/446723309.db2.gz DHDLVLRMVRODHV-MIGBEJBISA-N 2 0 343.471 1.438 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@H]1CCC[NH2+]1 ZINC000423753731 446684327 /nfs/dbraw/zinc/68/43/27/446684327.db2.gz XTUUVHBIADWXEX-HZPDHXFCSA-N 2 0 339.480 1.395 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000371322561 446773295 /nfs/dbraw/zinc/77/32/95/446773295.db2.gz ZUWQIRZRWASMBX-HNNXBMFYSA-N 2 0 331.464 1.177 20 0 EDADRP CCC(CC)(CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000418972200 446837695 /nfs/dbraw/zinc/83/76/95/446837695.db2.gz YLNIRFSFALCGCN-CABCVRRESA-N 2 0 348.491 1.476 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000419016259 446868153 /nfs/dbraw/zinc/86/81/53/446868153.db2.gz FRNWEBXCVPNFCV-WMLDXEAASA-N 2 0 346.475 1.011 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419020136 446869478 /nfs/dbraw/zinc/86/94/78/446869478.db2.gz RKMVRDFLTQFQCH-OAHLLOKOSA-N 2 0 346.475 1.142 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419017483 446869794 /nfs/dbraw/zinc/86/97/94/446869794.db2.gz AWDRYFYOKYVJIA-XUWVNRHRSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000368454860 446872455 /nfs/dbraw/zinc/87/24/55/446872455.db2.gz MHTURTNXURFEIC-GOSISDBHSA-N 2 0 333.476 1.734 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029290 446875575 /nfs/dbraw/zinc/87/55/75/446875575.db2.gz RLUFQZLSAOMTHE-HUUCEWRRSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420941772 446913319 /nfs/dbraw/zinc/91/33/19/446913319.db2.gz UGNHJMNJVOFPTA-CALCHBBNSA-N 2 0 333.476 1.520 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@](C)(O)C(F)(F)F)CC2)CC1 ZINC000420983377 446959134 /nfs/dbraw/zinc/95/91/34/446959134.db2.gz QXCRWHVFLLMVTR-HNNXBMFYSA-N 2 0 337.430 1.792 20 0 EDADRP CCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986091 446962942 /nfs/dbraw/zinc/96/29/42/446962942.db2.gz XSEFUVPCNSIRDE-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000372065130 446984355 /nfs/dbraw/zinc/98/43/55/446984355.db2.gz NKEPPEGEWXLKLA-SQNIBIBYSA-N 2 0 339.524 1.576 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377200929 446988569 /nfs/dbraw/zinc/98/85/69/446988569.db2.gz CFTUWAHCINWLIT-WMZOPIPTSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000372095347 446998854 /nfs/dbraw/zinc/99/88/54/446998854.db2.gz MXNWMIQGXQWTIB-UGUYLWEFSA-N 2 0 341.521 1.087 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443059072 446999791 /nfs/dbraw/zinc/99/97/91/446999791.db2.gz LXVNYGDMADEDRX-DLBZAZTESA-N 2 0 333.476 1.939 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000443058986 446999971 /nfs/dbraw/zinc/99/99/71/446999971.db2.gz BPEJDMPGSDOZRS-HUUCEWRRSA-N 2 0 333.432 1.003 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059587 447001625 /nfs/dbraw/zinc/00/16/25/447001625.db2.gz NENVVAGZVAURQU-CABCVRRESA-N 2 0 349.475 1.769 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2cn[nH]c21 ZINC000372344601 447041007 /nfs/dbraw/zinc/04/10/07/447041007.db2.gz CTBCWEFWIDICBQ-SJORKVTESA-N 2 0 347.507 1.704 20 0 EDADRP COc1cccc(OC)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375785892 447045751 /nfs/dbraw/zinc/04/57/51/447045751.db2.gz LOXFQICDWLUACN-HNNXBMFYSA-N 2 0 333.476 1.962 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368712120 447060440 /nfs/dbraw/zinc/06/04/40/447060440.db2.gz KIJUZYOEGZHCHZ-CQSZACIVSA-N 2 0 326.404 1.101 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccsc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372459775 447061590 /nfs/dbraw/zinc/06/15/90/447061590.db2.gz IVENPMZXRKDHHA-UHFFFAOYSA-N 2 0 345.472 1.511 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461178 447063562 /nfs/dbraw/zinc/06/35/62/447063562.db2.gz ZQWKNNZLFFARFR-MOPGFXCFSA-N 2 0 338.540 1.199 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CN(C)CC(=O)NCC2CC2)[C@@H]1c1cnn(C)c1 ZINC000372531001 447113914 /nfs/dbraw/zinc/11/39/14/447113914.db2.gz JHHBZRKRUYVPTM-QFBILLFUSA-N 2 0 347.507 1.651 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000421301104 447114418 /nfs/dbraw/zinc/11/44/18/447114418.db2.gz PNFBDVMBOJDRKT-QGZVFWFLSA-N 2 0 346.475 1.282 20 0 EDADRP CN(C(=O)c1coc(C[NH3+])c1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444181020 447090201 /nfs/dbraw/zinc/09/02/01/447090201.db2.gz ILSAJXNTMNNJHF-UHFFFAOYSA-N 2 0 342.443 1.912 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444180958 447090849 /nfs/dbraw/zinc/09/08/49/447090849.db2.gz HQFCBBGJTBYGGZ-AZUAARDMSA-N 2 0 343.471 1.777 20 0 EDADRP Cc1ccc(C[NH+]2CCC(CNC(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000375914147 447144798 /nfs/dbraw/zinc/14/47/98/447144798.db2.gz ZHHXVWFEEHJTCZ-LJQANCHMSA-N 2 0 345.487 1.702 20 0 EDADRP CC[NH+](CC)CCN(CCOC)c1cncc(-n2ccnc2C)n1 ZINC000377482289 447153541 /nfs/dbraw/zinc/15/35/41/447153541.db2.gz UQANCRMZCYBJEF-UHFFFAOYSA-N 2 0 332.452 1.765 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000419408453 447159021 /nfs/dbraw/zinc/15/90/21/447159021.db2.gz LPDONWSHFMFKKM-LSDHHAIUSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000419445474 447182595 /nfs/dbraw/zinc/18/25/95/447182595.db2.gz URIOLKVZIOUDAW-IRXDYDNUSA-N 2 0 348.491 1.215 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000375973089 447185775 /nfs/dbraw/zinc/18/57/75/447185775.db2.gz HIIAKIFBUFSXKW-VYDXJSESSA-N 2 0 333.480 1.485 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455655303 447197810 /nfs/dbraw/zinc/19/78/10/447197810.db2.gz ISBKLLOPYGAAAZ-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000447594954 447280405 /nfs/dbraw/zinc/28/04/05/447280405.db2.gz JUEUTJQLZRIWJP-MJGOQNOKSA-N 2 0 335.492 1.616 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000422326696 447478891 /nfs/dbraw/zinc/47/88/91/447478891.db2.gz NWXDICJFWKRHHC-HUUCEWRRSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H](O)CC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000450466002 447499512 /nfs/dbraw/zinc/49/95/12/447499512.db2.gz FIXREZASPUIZPU-QGZVFWFLSA-N 2 0 347.503 1.718 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCOC1(C)C ZINC000458960545 447517436 /nfs/dbraw/zinc/51/74/36/447517436.db2.gz VVFPIJVOQAMHHK-HNNXBMFYSA-N 2 0 326.485 1.221 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H](C[NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000392137996 447520833 /nfs/dbraw/zinc/52/08/33/447520833.db2.gz DWKHZDMFDXYMJR-QZTJIDSGSA-N 2 0 332.492 1.117 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cnccc1C ZINC000459015624 447540330 /nfs/dbraw/zinc/54/03/30/447540330.db2.gz GNNFCVSUTWRFRE-GOSISDBHSA-N 2 0 347.507 1.948 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000420027123 447554189 /nfs/dbraw/zinc/55/41/89/447554189.db2.gz CDDXFKCHWRSGHU-HOTGVXAUSA-N 2 0 340.512 1.197 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000427269400 447572417 /nfs/dbraw/zinc/57/24/17/447572417.db2.gz JOUWAKSLBJRNEW-SFHVURJKSA-N 2 0 344.503 1.705 20 0 EDADRP COC(=O)C1(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000450980373 447641406 /nfs/dbraw/zinc/64/14/06/447641406.db2.gz MFOAUVQFFOPOFR-UHFFFAOYSA-N 2 0 345.487 1.689 20 0 EDADRP Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c2cc([N+](=O)[O-])ccc2[nH+]1 ZINC000405271070 447607841 /nfs/dbraw/zinc/60/78/41/447607841.db2.gz ORTSTIAZILFIFO-UONOGXRCSA-N 2 0 328.372 1.707 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000420117116 447612448 /nfs/dbraw/zinc/61/24/48/447612448.db2.gz HOHMRYXQWMZLPN-HNNXBMFYSA-N 2 0 346.475 1.265 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000420128734 447621113 /nfs/dbraw/zinc/62/11/13/447621113.db2.gz QBIRGKXMOXGEKP-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000416814112 447691384 /nfs/dbraw/zinc/69/13/84/447691384.db2.gz FONHGKUASBSPBA-MSOLQXFVSA-N 2 0 346.475 1.869 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000416827802 447692260 /nfs/dbraw/zinc/69/22/60/447692260.db2.gz NWXAYDDIUSZRHT-VFSICIBPSA-N 2 0 332.448 1.999 20 0 EDADRP COC(=O)c1ccc(N2CC[NH+](CCCn3ccnc3)CC2)s1 ZINC000459521240 447694856 /nfs/dbraw/zinc/69/48/56/447694856.db2.gz VVLMAVCBAGMWME-UHFFFAOYSA-N 2 0 334.445 1.944 20 0 EDADRP COc1ccc([C@H](CNC(=O)N(C)C2CC([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000416810997 447689811 /nfs/dbraw/zinc/68/98/11/447689811.db2.gz CFBKXQNKRMTENY-HTWSVDAQSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCC(C)CC1 ZINC000458053526 447710152 /nfs/dbraw/zinc/71/01/52/447710152.db2.gz SKWPIPIURSKFCZ-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428876112 447719298 /nfs/dbraw/zinc/71/92/98/447719298.db2.gz YRFHIPSSLBEVNM-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417022653 447731391 /nfs/dbraw/zinc/73/13/91/447731391.db2.gz VLJCPAPXXSALQF-MAUKXSAKSA-N 2 0 330.476 1.732 20 0 EDADRP CC[C@@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)NC(=O)OC(C)(C)C ZINC000496177605 447733474 /nfs/dbraw/zinc/73/34/74/447733474.db2.gz IKGYKGBDHPFVLX-KBPBESRZSA-N 2 0 341.500 1.888 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000459696269 447743026 /nfs/dbraw/zinc/74/30/26/447743026.db2.gz HOMIPVKDXYAXAF-HKUYNNGSSA-N 2 0 333.476 1.004 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000496229741 447745941 /nfs/dbraw/zinc/74/59/41/447745941.db2.gz SJENWJGWULAIIM-HZPDHXFCSA-N 2 0 343.512 1.926 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422803012 447754510 /nfs/dbraw/zinc/75/45/10/447754510.db2.gz CGBRVQLLDNBPIG-VQIMIIECSA-N 2 0 334.483 1.925 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000496539076 447812497 /nfs/dbraw/zinc/81/24/97/447812497.db2.gz JPWMPJAWVLMIIG-ZDUSSCGKSA-N 2 0 327.473 1.499 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422957500 447780974 /nfs/dbraw/zinc/78/09/74/447780974.db2.gz ULCLAJTVFIWCBB-JTQLQIEISA-N 2 0 326.238 1.376 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000422986774 447788390 /nfs/dbraw/zinc/78/83/90/447788390.db2.gz HHTNZONYMBDFQW-SZMVWBNQSA-N 2 0 325.460 1.994 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])CC1 ZINC000431020317 447789208 /nfs/dbraw/zinc/78/92/08/447789208.db2.gz YUGGSFSFTAYCEN-UHFFFAOYSA-N 2 0 332.492 1.425 20 0 EDADRP COc1cccc(COCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423000640 447790383 /nfs/dbraw/zinc/79/03/83/447790383.db2.gz GZYBZDLXNQDJRC-IPMKNSEASA-N 2 0 334.460 1.959 20 0 EDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000423077146 447800205 /nfs/dbraw/zinc/80/02/05/447800205.db2.gz SQHNXXUMRACNQK-CRAIPNDOSA-N 2 0 325.460 1.994 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108567 447806876 /nfs/dbraw/zinc/80/68/76/447806876.db2.gz TZYZSMRUNPIVPD-GFCCVEGCSA-N 2 0 333.885 1.725 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000423115787 447808825 /nfs/dbraw/zinc/80/88/25/447808825.db2.gz OFVBQLSAACGKRH-KKUMJFAQSA-N 2 0 337.464 1.051 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000487404778 447831772 /nfs/dbraw/zinc/83/17/72/447831772.db2.gz IHWRWDRCBBMKJJ-POAQFYNOSA-N 2 0 345.487 1.280 20 0 EDADRP Cc1nc(NCC2(N3CCOCC3)CCCCC2)nc(N(C)C)n1 ZINC000489467096 447858559 /nfs/dbraw/zinc/85/85/59/447858559.db2.gz CKSRJTWMPHYTRS-UHFFFAOYSA-N 2 0 334.468 1.693 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000479646822 447823849 /nfs/dbraw/zinc/82/38/49/447823849.db2.gz KZVDBYHJRSRASP-IRXDYDNUSA-N 2 0 340.512 1.207 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)OCC(C)C ZINC000523094195 447872722 /nfs/dbraw/zinc/87/27/22/447872722.db2.gz UDBFTBAWOBJCQT-IRXDYDNUSA-N 2 0 327.513 1.922 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]C2(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000575774591 447896333 /nfs/dbraw/zinc/89/63/33/447896333.db2.gz HBQLKIGFOGESMY-CQSZACIVSA-N 2 0 334.468 1.720 20 0 EDADRP CN1C(=O)CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802162 447901043 /nfs/dbraw/zinc/90/10/43/447901043.db2.gz GXUHOQMIECBLIF-DLBZAZTESA-N 2 0 341.455 1.921 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC(F)(F)F)(N2CCCCC2)CC1 ZINC000575981471 447941639 /nfs/dbraw/zinc/94/16/39/447941639.db2.gz NSJCJPHUSVGFMW-AWEZNQCLSA-N 2 0 337.430 1.840 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C[C@@H](C)O1 ZINC000530702470 447942808 /nfs/dbraw/zinc/94/28/08/447942808.db2.gz NOVOCPZGGPJFDR-JFIYKMOQSA-N 2 0 337.508 1.676 20 0 EDADRP CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037964 447955607 /nfs/dbraw/zinc/95/56/07/447955607.db2.gz IZTGIHNVZFNOKR-WMZOPIPTSA-N 2 0 348.466 1.139 20 0 EDADRP C[NH+]1CCC(CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000530571284 447917294 /nfs/dbraw/zinc/91/72/94/447917294.db2.gz FIFCFQLBWGKTRD-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP CCN(C)C(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000530641283 447932486 /nfs/dbraw/zinc/93/24/86/447932486.db2.gz WCCWZXPIPVSLQT-UHFFFAOYSA-N 2 0 348.491 1.344 20 0 EDADRP O=C(CN1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1nc2c(s1)CCC2 ZINC000570283301 447977944 /nfs/dbraw/zinc/97/79/44/447977944.db2.gz QESCORIVFITONV-STQMWFEESA-N 2 0 334.489 1.892 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)c1 ZINC000570322533 447985839 /nfs/dbraw/zinc/98/58/39/447985839.db2.gz JQPAIARCVOHXPZ-HLIPFELVSA-N 3 0 349.519 1.698 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOC[C@@H]3CCCO3)C2)CC1 ZINC000525173063 447972853 /nfs/dbraw/zinc/97/28/53/447972853.db2.gz YUWFSYJBFPRFLP-ROUUACIJSA-N 2 0 325.497 1.282 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)C1 ZINC000531101297 448019318 /nfs/dbraw/zinc/01/93/18/448019318.db2.gz DAIIHVVZAWDNTG-KSZLIROESA-N 2 0 326.481 1.207 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CCN1C(=O)c3ccccc3C1=O)CC[NH2+]CC2 ZINC000576338237 448030928 /nfs/dbraw/zinc/03/09/28/448030928.db2.gz MACHLFIUBLNJGU-CQSZACIVSA-N 2 0 327.428 1.747 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1C[C@]12CCc1ccccc12 ZINC000531357669 448069111 /nfs/dbraw/zinc/06/91/11/448069111.db2.gz UAPNSZLQUGHLFY-ICSRJNTNSA-N 2 0 329.488 1.842 20 0 EDADRP CC[C@H](C)n1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000526169831 448109819 /nfs/dbraw/zinc/10/98/19/448109819.db2.gz GSUHJNWXGYNBBU-AWEZNQCLSA-N 2 0 338.500 2.120 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000502745427 448103407 /nfs/dbraw/zinc/10/34/07/448103407.db2.gz YHIZTSMMQYLKMR-ULQDDVLXSA-N 2 0 340.512 1.611 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000571059475 448103611 /nfs/dbraw/zinc/10/36/11/448103611.db2.gz HJECUPRRCYWZGR-HOTGVXAUSA-N 2 0 339.528 1.171 20 0 EDADRP Cc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000525958800 448066796 /nfs/dbraw/zinc/06/67/96/448066796.db2.gz JFTNIOIDAOCQEC-VGWMRTNUSA-N 2 0 346.523 1.843 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844768 448154064 /nfs/dbraw/zinc/15/40/64/448154064.db2.gz FHVYXOHCQQPZPY-MRXNPFEDSA-N 2 0 338.415 1.828 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000531684977 448128699 /nfs/dbraw/zinc/12/86/99/448128699.db2.gz CCHDMSPJZAMTGV-UHFFFAOYSA-N 2 0 332.496 1.063 20 0 EDADRP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000576767667 448135931 /nfs/dbraw/zinc/13/59/31/448135931.db2.gz DJDUSINWGUKFIW-WBVHZDCISA-N 2 0 339.443 1.139 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000571420074 448152712 /nfs/dbraw/zinc/15/27/12/448152712.db2.gz VVNVPXCQMWOSGR-CGTJXYLNSA-N 2 0 346.475 1.279 20 0 EDADRP CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000556926207 448172220 /nfs/dbraw/zinc/17/22/20/448172220.db2.gz KNBOPHLTCOAYBY-HNNXBMFYSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000531959773 448175714 /nfs/dbraw/zinc/17/57/14/448175714.db2.gz KJDRAIZJJSELEL-WLYUNCDWSA-N 2 0 337.430 1.696 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000571817930 448211369 /nfs/dbraw/zinc/21/13/69/448211369.db2.gz CPOIROJPRGELHD-MRXNPFEDSA-N 2 0 335.496 1.543 20 0 EDADRP CC[C@H]1CN(CCNC(=O)NC[C@H]2CCCn3ccnc32)CCO1 ZINC000577011570 448192149 /nfs/dbraw/zinc/19/21/49/448192149.db2.gz YQCVVBKABKMHGO-CABCVRRESA-N 2 0 335.452 1.171 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000577047144 448199282 /nfs/dbraw/zinc/19/92/82/448199282.db2.gz BFLXLHDSXYITKX-JFIYKMOQSA-N 2 0 330.476 1.948 20 0 EDADRP CN1CCO[C@@H](CNC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000514794966 448204952 /nfs/dbraw/zinc/20/49/52/448204952.db2.gz FXNSZYJEDPDNLY-HOTGVXAUSA-N 2 0 328.416 1.379 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532214833 448216003 /nfs/dbraw/zinc/21/60/03/448216003.db2.gz PXJBYGPYDDUMFF-UHFFFAOYSA-N 2 0 332.496 1.063 20 0 EDADRP CC[NH+]1CCC(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000562336935 448247850 /nfs/dbraw/zinc/24/78/50/448247850.db2.gz AJSRYEDFEPTQGA-UHFFFAOYSA-N 2 0 348.495 2.003 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000582524121 448260573 /nfs/dbraw/zinc/26/05/73/448260573.db2.gz MKXNZWBTLATQHX-INIZCTEOSA-N 2 0 337.489 1.607 20 0 EDADRP CNc1ccc(Cl)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000577485986 448309732 /nfs/dbraw/zinc/30/97/32/448309732.db2.gz VEHSIQPKSBHVHU-UHFFFAOYSA-N 2 0 326.872 1.947 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000572118529 448292154 /nfs/dbraw/zinc/29/21/54/448292154.db2.gz RDXXAVBYKILKGA-RDJZCZTQSA-N 2 0 341.496 1.008 20 0 EDADRP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577625478 448345378 /nfs/dbraw/zinc/34/53/78/448345378.db2.gz JYZHAFGPDAVBEE-QRVBRYPASA-N 2 0 343.471 1.488 20 0 EDADRP C[NH+](C)CCCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000591538859 448384506 /nfs/dbraw/zinc/38/45/06/448384506.db2.gz NIZLHQYWLUKIAC-UHFFFAOYSA-N 2 0 348.491 1.394 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC000572487649 448392848 /nfs/dbraw/zinc/39/28/48/448392848.db2.gz MTYXWOKKFVZGMJ-CQSZACIVSA-N 2 0 329.404 1.587 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000583082211 448419355 /nfs/dbraw/zinc/41/93/55/448419355.db2.gz KOIVULHZSFXJJC-OFLPRAFFSA-N 2 0 337.439 1.831 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H]2CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000528140104 448443858 /nfs/dbraw/zinc/44/38/58/448443858.db2.gz PDWRLFVDAKHEJY-CQSZACIVSA-N 2 0 326.400 1.297 20 0 EDADRP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572751240 448455930 /nfs/dbraw/zinc/45/59/30/448455930.db2.gz AXRUKZQRYFAUKP-XLIONFOSSA-N 2 0 333.520 1.939 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000572825048 448471879 /nfs/dbraw/zinc/47/18/79/448471879.db2.gz JZYRVEOMFBWFEA-NVXWUHKLSA-N 2 0 346.475 1.370 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000516869601 448487041 /nfs/dbraw/zinc/48/70/41/448487041.db2.gz LVBDMINRBQOAJC-IBGZPJMESA-N 2 0 330.476 1.905 20 0 EDADRP CCC(=O)Nc1cccc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000516921720 448496392 /nfs/dbraw/zinc/49/63/92/448496392.db2.gz HSLDODMQZAXHQG-DAYGRLMNSA-N 2 0 349.475 1.595 20 0 EDADRP O=C1[C@@H]([N@@H+]2CC[C@H](CN3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390067 448509363 /nfs/dbraw/zinc/50/93/63/448509363.db2.gz NPGOVZYVIOLLNH-AEFFLSMTSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000566618876 448521259 /nfs/dbraw/zinc/52/12/59/448521259.db2.gz MIKCAOGRLVJPRD-MRXNPFEDSA-N 2 0 342.447 1.022 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000566629701 448525565 /nfs/dbraw/zinc/52/55/65/448525565.db2.gz VZUFFHGPBAHEJM-QGZVFWFLSA-N 2 0 346.519 1.547 20 0 EDADRP CN(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000578730831 448619720 /nfs/dbraw/zinc/61/97/20/448619720.db2.gz BTZMKLBSALYNOU-LEOMRAHMSA-N 2 0 349.523 1.081 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000567042779 448602694 /nfs/dbraw/zinc/60/26/94/448602694.db2.gz VZKWYNMMFBPBNH-GOSISDBHSA-N 2 0 327.513 1.168 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)[C@H]2C1 ZINC000528715767 448641819 /nfs/dbraw/zinc/64/18/19/448641819.db2.gz WJURBBURERBGOJ-BBRMVZONSA-N 2 0 330.432 1.727 20 0 EDADRP CO[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000584834444 448648316 /nfs/dbraw/zinc/64/83/16/448648316.db2.gz ORQOSLZXHLWKQQ-IRXDYDNUSA-N 2 0 341.883 1.225 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000573578148 448664195 /nfs/dbraw/zinc/66/41/95/448664195.db2.gz HNVJRYKEHISBGB-IRXDYDNUSA-N 2 0 339.505 1.874 20 0 EDADRP C[C@@]1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000518343210 448667630 /nfs/dbraw/zinc/66/76/30/448667630.db2.gz KBAULSPHZOINLH-LJQANCHMSA-N 2 0 330.476 1.734 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567500700 448704091 /nfs/dbraw/zinc/70/40/91/448704091.db2.gz FDEFWSUGDALQCD-ZWKOTPCHSA-N 2 0 330.476 1.894 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000573850332 448729311 /nfs/dbraw/zinc/72/93/11/448729311.db2.gz HCPKRCORXJZVSJ-SOUVJXGZSA-N 2 0 330.432 1.060 20 0 EDADRP CN1CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)[C@H](C[NH3+])C1 ZINC000579332473 448767749 /nfs/dbraw/zinc/76/77/49/448767749.db2.gz IBCQIRJCZXLBKR-CQSZACIVSA-N 2 0 338.839 1.059 20 0 EDADRP Cc1oc2ccccc2c1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567710741 448743944 /nfs/dbraw/zinc/74/39/44/448743944.db2.gz QVTPNVXEIJKYBJ-INIZCTEOSA-N 2 0 331.460 1.482 20 0 EDADRP O=C(CC[NH2+]C1CC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000579258169 448756993 /nfs/dbraw/zinc/75/69/93/448756993.db2.gz DNCIPLXVTZWJBU-UHFFFAOYSA-N 2 0 331.460 1.920 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000567779368 448759706 /nfs/dbraw/zinc/75/97/06/448759706.db2.gz MWNDGXQRKVKDEJ-CRAIPNDOSA-N 2 0 330.476 1.048 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccnc3ccccc23)C1)N1CC[NH2+]CC1 ZINC000567864892 448777950 /nfs/dbraw/zinc/77/79/50/448777950.db2.gz XVIGUPUDCJPHEL-QGZVFWFLSA-N 2 0 338.455 1.879 20 0 EDADRP CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2C(F)(F)F)C1 ZINC000574312783 448842333 /nfs/dbraw/zinc/84/23/33/448842333.db2.gz MYRHBHFCCKKUQW-CABCVRRESA-N 2 0 345.409 1.444 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCC[NH2+]C3CCCCCC3)c21 ZINC000592472602 448852016 /nfs/dbraw/zinc/85/20/16/448852016.db2.gz CGCBVACNAFOTBA-CQSZACIVSA-N 2 0 333.480 1.761 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574401498 448866256 /nfs/dbraw/zinc/86/62/56/448866256.db2.gz DHKLRIFJXAHHMS-UKRRQHHQSA-N 2 0 344.459 1.463 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000568728271 448909088 /nfs/dbraw/zinc/90/90/88/448909088.db2.gz JZEQUUNXMNGXER-ZWKOTPCHSA-N 2 0 331.460 1.765 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@@H]1C ZINC000574641775 448923679 /nfs/dbraw/zinc/92/36/79/448923679.db2.gz ZREICYPNNVPYSY-BHYGNILZSA-N 2 0 333.480 1.752 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000574501562 448887139 /nfs/dbraw/zinc/88/71/39/448887139.db2.gz OONNXFGNKDJWBO-OAHLLOKOSA-N 2 0 331.464 1.702 20 0 EDADRP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000569093412 448960294 /nfs/dbraw/zinc/96/02/94/448960294.db2.gz RWVBRWIFXLWJCF-IDOMTICXSA-N 2 0 345.487 1.984 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956853 449078529 /nfs/dbraw/zinc/07/85/29/449078529.db2.gz ZZQBHNWZYIXIGD-WBVHZDCISA-N 2 0 341.459 1.752 20 0 EDADRP Cc1[nH]c2ccc(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)cc2c1C ZINC000582236357 449044172 /nfs/dbraw/zinc/04/41/72/449044172.db2.gz PRUFUKPZNNMKQZ-QGZVFWFLSA-N 2 0 330.476 1.483 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000590860009 449324781 /nfs/dbraw/zinc/32/47/81/449324781.db2.gz YLWWUMAAYUHWFO-OALUTQOASA-N 2 0 344.503 1.944 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3([NH2+]C4CC4)CCC3)C2)CC1 ZINC000595949497 449275928 /nfs/dbraw/zinc/27/59/28/449275928.db2.gz WCTCLLVUIOZMDO-KRWDZBQOSA-N 2 0 334.508 1.288 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1SC ZINC000590956643 449359335 /nfs/dbraw/zinc/35/93/35/449359335.db2.gz SZGUVPZESRUYGG-LLLHUVSDSA-N 2 0 327.538 1.654 20 0 EDADRP C[NH+](C)C1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000605401530 449374170 /nfs/dbraw/zinc/37/41/70/449374170.db2.gz ZJMNARAWLFSGBY-IBGZPJMESA-N 2 0 331.460 1.176 20 0 EDADRP C[C@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000606634974 449494792 /nfs/dbraw/zinc/49/47/92/449494792.db2.gz DEVJSMITBSRKMF-HNNXBMFYSA-N 2 0 339.528 1.042 20 0 EDADRP COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)c1 ZINC000594606047 449592534 /nfs/dbraw/zinc/59/25/34/449592534.db2.gz APIOJLIIZGHDAP-UHFFFAOYSA-N 2 0 327.856 1.914 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602480023 449624101 /nfs/dbraw/zinc/62/41/01/449624101.db2.gz DEJLGGRLFICXEB-OAHLLOKOSA-N 2 0 334.464 1.287 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602488546 449628376 /nfs/dbraw/zinc/62/83/76/449628376.db2.gz YYUDFBGBMZJAFN-QHCPKHFHSA-N 2 0 337.489 1.496 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602538277 449660823 /nfs/dbraw/zinc/66/08/23/449660823.db2.gz BWFLWNKZZLTYML-AWEZNQCLSA-N 2 0 339.505 1.898 20 0 EDADRP COC(=O)c1[nH]c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000602546688 449666733 /nfs/dbraw/zinc/66/67/33/449666733.db2.gz DXKVSHOHGUTLAT-CQSZACIVSA-N 2 0 334.464 1.368 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612481688 449730872 /nfs/dbraw/zinc/73/08/72/449730872.db2.gz DVTMETVGWBGHDM-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597050259 449785809 /nfs/dbraw/zinc/78/58/09/449785809.db2.gz LGHWRQRRVNJJKX-AWEZNQCLSA-N 2 0 337.439 1.728 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)on1 ZINC000602683287 449746560 /nfs/dbraw/zinc/74/65/60/449746560.db2.gz WGBDOKXGUNIDHL-UHFFFAOYSA-N 2 0 338.452 1.357 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C(C)C)N2CCOCC2)C1 ZINC000601230011 449762589 /nfs/dbraw/zinc/76/25/89/449762589.db2.gz LCYDPKHCIWGKPK-IAGOWNOFSA-N 2 0 340.512 1.515 20 0 EDADRP CCc1cc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)no1 ZINC000608315797 449805267 /nfs/dbraw/zinc/80/52/67/449805267.db2.gz UHCGRBJZUCWBNE-AWEZNQCLSA-N 2 0 337.468 2.117 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000594919398 449808180 /nfs/dbraw/zinc/80/81/80/449808180.db2.gz ZJOKPQNHVVKNNC-NUEKZKHPSA-N 2 0 332.448 1.121 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601307110 449816681 /nfs/dbraw/zinc/81/66/81/449816681.db2.gz QGMPIVOKHJZRFA-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@@H](C)[NH+](C)C)CC2)c1 ZINC000617753483 449817645 /nfs/dbraw/zinc/81/76/45/449817645.db2.gz DKXIHDLMVAGYSM-GOSISDBHSA-N 2 0 346.519 1.964 20 0 EDADRP C[NH+](C)C[C@@H](CO)NC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000614852131 449846565 /nfs/dbraw/zinc/84/65/65/449846565.db2.gz OKAITSYNIQGYSU-KRWDZBQOSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612897974 449932819 /nfs/dbraw/zinc/93/28/19/449932819.db2.gz AFXJQRQBUUNIBW-KVSKMBFKSA-N 2 0 330.476 1.948 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000608709076 449917167 /nfs/dbraw/zinc/91/71/67/449917167.db2.gz KKUVOFSVFIEFMJ-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+](CC)C1 ZINC000617928858 449924199 /nfs/dbraw/zinc/92/41/99/449924199.db2.gz XQQQYVYILHALJF-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612961857 449957586 /nfs/dbraw/zinc/95/75/86/449957586.db2.gz CLNITQHRXHWTBJ-QGZVFWFLSA-N 2 0 346.475 1.568 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[C@H]1c1ccc(F)cc1 ZINC000612993050 449974818 /nfs/dbraw/zinc/97/48/18/449974818.db2.gz MENGXZPBKBWZHT-BBWFWOEESA-N 2 0 346.450 1.794 20 0 EDADRP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(CCC(=O)OC)C2=O)CC1 ZINC000595291034 450006955 /nfs/dbraw/zinc/00/69/55/450006955.db2.gz PTTNMHZBLOBSEI-MRXNPFEDSA-N 2 0 339.480 1.204 20 0 EDADRP COC(=O)C[C@]1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000613334416 450138086 /nfs/dbraw/zinc/13/80/86/450138086.db2.gz HAGIVVKDYGHQSC-GOSISDBHSA-N 2 0 336.432 1.439 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000603354273 450260153 /nfs/dbraw/zinc/26/01/53/450260153.db2.gz YPTVDIFTXUIVSX-SJLPKXTDSA-N 2 0 330.476 1.846 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC1(C)C ZINC000623355179 450503840 /nfs/dbraw/zinc/50/38/40/450503840.db2.gz CEZWKDOFTNOBMH-RBUKOAKNSA-N 2 0 331.504 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)CC1(C)C ZINC000623372216 450507933 /nfs/dbraw/zinc/50/79/33/450507933.db2.gz KJRMNYXGQVLSLX-WBVHZDCISA-N 2 0 327.538 1.657 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000623521687 450537054 /nfs/dbraw/zinc/53/70/54/450537054.db2.gz BQQGQVLBGZRICT-ILXRZTDVSA-N 2 0 331.526 1.557 20 0 EDADRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)[C@H]1C)[NH+](C)C ZINC000620748045 450538643 /nfs/dbraw/zinc/53/86/43/450538643.db2.gz WYUOZJPZNASEOV-GEEKYZPCSA-N 2 0 340.512 1.115 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623563282 450543597 /nfs/dbraw/zinc/54/35/97/450543597.db2.gz TZVCJWODWWHWTA-HNNXBMFYSA-N 2 0 348.470 1.768 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000621110940 450583081 /nfs/dbraw/zinc/58/30/81/450583081.db2.gz ZCGRTRIJSZPYMQ-INIZCTEOSA-N 2 0 330.476 1.995 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000631710231 450726707 /nfs/dbraw/zinc/72/67/07/450726707.db2.gz BKMQRLCCWLZCDM-QGZVFWFLSA-N 2 0 339.505 1.695 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746838 450747819 /nfs/dbraw/zinc/74/78/19/450747819.db2.gz TYOMBNQMTOXZSQ-MAUKXSAKSA-N 2 0 338.459 1.560 20 0 EDADRP C[NH+](C)CCn1c2cc(NC[C@@H](O)C[NH+]3CCCC3)ccc2oc1=O ZINC000629582531 450748792 /nfs/dbraw/zinc/74/87/92/450748792.db2.gz TZRLNSZCJFZXQC-OAHLLOKOSA-N 2 0 348.447 1.025 20 0 EDADRP C[N@H+](CCOCC[NH3+])Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000629665954 450774204 /nfs/dbraw/zinc/77/42/04/450774204.db2.gz YWDAVNRFDHYOSP-UHFFFAOYSA-N 2 0 332.404 1.255 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)ccc2oc1=O ZINC000631829109 450800566 /nfs/dbraw/zinc/80/05/66/450800566.db2.gz HATXXZPGBYQTBM-IIDMSEBBSA-N 2 0 345.443 1.992 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624347644 450802486 /nfs/dbraw/zinc/80/24/86/450802486.db2.gz VRODPZWESHFRKF-RWMBFGLXSA-N 2 0 327.436 1.184 20 0 EDADRP C[C@@H]1OCC[C@H]1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830081 450802519 /nfs/dbraw/zinc/80/25/19/450802519.db2.gz IXOVCWBMPFYEBU-JYJNAYRXSA-N 2 0 333.480 1.424 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000631943025 450900081 /nfs/dbraw/zinc/90/00/81/450900081.db2.gz LFHCMYPGGNRJAD-JKSUJKDBSA-N 2 0 329.510 1.409 20 0 EDADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1)C1CCC1 ZINC000629977753 450930128 /nfs/dbraw/zinc/93/01/28/450930128.db2.gz COIXKNHLBYNQLO-GOSISDBHSA-N 2 0 331.460 1.354 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH+](C)C1CCC1 ZINC000629983037 450933223 /nfs/dbraw/zinc/93/32/23/450933223.db2.gz NRXYFGMCKRLBFM-HXUWFJFHSA-N 2 0 345.487 1.566 20 0 EDADRP C[N@H+](CC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986771 450935994 /nfs/dbraw/zinc/93/59/94/450935994.db2.gz BQGWKTAJHIAPAY-IBGZPJMESA-N 2 0 345.487 1.878 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000629917908 450889626 /nfs/dbraw/zinc/88/96/26/450889626.db2.gz SLEZYPFMPAPCQH-SFHVURJKSA-N 2 0 331.460 1.469 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000626854979 450962211 /nfs/dbraw/zinc/96/22/11/450962211.db2.gz PMNXPDMTXBACQY-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1C[NH+](C)C ZINC000626892884 450989482 /nfs/dbraw/zinc/98/94/82/450989482.db2.gz IXLUXUDMKHGKCY-BBRMVZONSA-N 2 0 332.448 1.252 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000626930472 451013509 /nfs/dbraw/zinc/01/35/09/451013509.db2.gz APEATYQZIMWCGW-UHFFFAOYSA-N 2 0 348.491 1.229 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N(C)CCOCC[NH3+])C1 ZINC000626937731 451019104 /nfs/dbraw/zinc/01/91/04/451019104.db2.gz XWBKCFYZRZHKAV-HZPDHXFCSA-N 2 0 328.501 1.361 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626971928 451042343 /nfs/dbraw/zinc/04/23/43/451042343.db2.gz UWJHZUWAMMJRNN-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000626984775 451051862 /nfs/dbraw/zinc/05/18/62/451051862.db2.gz KSYIWOIPCHNYQG-KRWDZBQOSA-N 2 0 342.487 1.669 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559007 451055285 /nfs/dbraw/zinc/05/52/85/451055285.db2.gz OUVBGYAUBIEPKN-GOSISDBHSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000627009437 451073794 /nfs/dbraw/zinc/07/37/94/451073794.db2.gz QUWDKCRIIXLCGP-UHFFFAOYSA-N 2 0 347.463 1.105 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627012413 451076717 /nfs/dbraw/zinc/07/67/17/451076717.db2.gz AFPMQOXNMNGKGZ-DOTOQJQBSA-N 2 0 334.464 1.042 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000627100291 451123219 /nfs/dbraw/zinc/12/32/19/451123219.db2.gz JPIVQOVISWCMPV-AGIUHOORSA-N 2 0 336.402 1.687 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC(C)(F)F ZINC000632231945 451133060 /nfs/dbraw/zinc/13/30/60/451133060.db2.gz IHTNNKRFUQKKSY-UHFFFAOYSA-N 2 0 341.468 1.319 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632288851 451174897 /nfs/dbraw/zinc/17/48/97/451174897.db2.gz MLNBRKZBHKSTHJ-HNNXBMFYSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635770536 451229708 /nfs/dbraw/zinc/22/97/08/451229708.db2.gz NGXXNTFQYXSQRX-QGZVFWFLSA-N 2 0 347.503 1.982 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000627211858 451188759 /nfs/dbraw/zinc/18/87/59/451188759.db2.gz PYWWMQDHNYMZML-UHFFFAOYSA-N 2 0 348.491 1.578 20 0 EDADRP CCc1ccc(CN2CCN(C(=O)N[C@@H]3CC[NH2+][C@H]3C)CC2)s1 ZINC000627240515 451204286 /nfs/dbraw/zinc/20/42/86/451204286.db2.gz YWUASMCPDFOOHL-XJKSGUPXSA-N 2 0 336.505 1.888 20 0 EDADRP C[C@H](C(=O)NCC[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccccc1)[NH+](C)C ZINC000635798718 451248221 /nfs/dbraw/zinc/24/82/21/451248221.db2.gz PPOGQQQYKZBYLN-BFYDXBDKSA-N 2 0 348.491 1.250 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000638085480 451249062 /nfs/dbraw/zinc/24/90/62/451249062.db2.gz LPJCURBTJYZGBP-IEBWSBKVSA-N 2 0 331.460 1.627 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000638098701 451264010 /nfs/dbraw/zinc/26/40/10/451264010.db2.gz DJENTDAZZIVPNX-KRWDZBQOSA-N 2 0 332.492 1.261 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638099531 451265430 /nfs/dbraw/zinc/26/54/30/451265430.db2.gz HESJAYSZGHPFNT-AZUAARDMSA-N 2 0 345.487 1.876 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000638101100 451267573 /nfs/dbraw/zinc/26/75/73/451267573.db2.gz SVURORPHNVUOPA-RVKKMQEKSA-N 2 0 333.476 1.944 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638102551 451269452 /nfs/dbraw/zinc/26/94/52/451269452.db2.gz IWWUKXKCCZOJGN-LJQANCHMSA-N 2 0 349.475 1.041 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000640337352 451269595 /nfs/dbraw/zinc/26/95/95/451269595.db2.gz AKPXGJIKGLNMPL-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638103479 451270281 /nfs/dbraw/zinc/27/02/81/451270281.db2.gz OTBSNQPJGLJTHA-POAQFYNOSA-N 2 0 345.487 1.911 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638127252 451297340 /nfs/dbraw/zinc/29/73/40/451297340.db2.gz ALRNFWKQKHGTBH-AEFFLSMTSA-N 2 0 333.476 1.755 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000638133589 451304906 /nfs/dbraw/zinc/30/49/06/451304906.db2.gz JDBZYRLBOLLEGM-DFEHZGFQSA-N 2 0 331.460 1.518 20 0 EDADRP O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000638214130 451357923 /nfs/dbraw/zinc/35/79/23/451357923.db2.gz WFUTXYNNXYTXTF-ZGXWSNOMSA-N 2 0 339.483 1.822 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000638250975 451381837 /nfs/dbraw/zinc/38/18/37/451381837.db2.gz LAMLHUVSDAPIKV-IAGOWNOFSA-N 2 0 337.508 1.583 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000635899286 451342717 /nfs/dbraw/zinc/34/27/17/451342717.db2.gz JZXONBMNSUFCCF-FUHWJXTLSA-N 2 0 335.492 1.574 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000638287307 451404123 /nfs/dbraw/zinc/40/41/23/451404123.db2.gz WOQLMFGJIWTQHS-NJAFHUGGSA-N 2 0 331.460 1.508 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC[NH2+]1 ZINC000638309796 451423912 /nfs/dbraw/zinc/42/39/12/451423912.db2.gz NNGUWJXVZJODFQ-WDYCEAGBSA-N 2 0 335.492 1.620 20 0 EDADRP O[C@]1(CN2CC[NH+](CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634642532 451435863 /nfs/dbraw/zinc/43/58/63/451435863.db2.gz LPRLLOXXXIGZQQ-FQEVSTJZSA-N 2 0 329.488 1.651 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634699252 451472268 /nfs/dbraw/zinc/47/22/68/451472268.db2.gz HBTHKPUEDDNCDF-IAGOWNOFSA-N 2 0 328.497 1.381 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)CC[NH+]1CCCCC1 ZINC000638398274 451488417 /nfs/dbraw/zinc/48/84/17/451488417.db2.gz UPWVIIMTYSGGAM-FUHWJXTLSA-N 2 0 333.476 1.863 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000638399574 451488548 /nfs/dbraw/zinc/48/85/48/451488548.db2.gz IXIVCZDDIAGBBD-OKZBNKHCSA-N 2 0 331.460 1.698 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638335842 451441364 /nfs/dbraw/zinc/44/13/64/451441364.db2.gz WLEHKJNGZMKYMX-CAIZAGQASA-N 2 0 343.471 1.473 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638337787 451441923 /nfs/dbraw/zinc/44/19/23/451441923.db2.gz JZQDUQKFAAJFLC-GBESFXJTSA-N 2 0 343.471 1.249 20 0 EDADRP CN(C)c1cc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)ccn1 ZINC000640597287 451442325 /nfs/dbraw/zinc/44/23/25/451442325.db2.gz BIHYHKZTPCSDFU-OAHLLOKOSA-N 2 0 333.436 1.211 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000638458479 451525874 /nfs/dbraw/zinc/52/58/74/451525874.db2.gz DOERNFQMGNELFC-NVXWUHKLSA-N 2 0 336.524 1.582 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631041045 451546976 /nfs/dbraw/zinc/54/69/76/451546976.db2.gz NBXHQNRMQNUKQU-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000638556288 451574642 /nfs/dbraw/zinc/57/46/42/451574642.db2.gz JTKSCCLVTPZIKI-FQUUOJAGSA-N 2 0 333.398 1.608 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](OC)C2CCOCC2)CC1 ZINC000638551480 451573077 /nfs/dbraw/zinc/57/30/77/451573077.db2.gz KZDIHJIPWXIJOD-SJLPKXTDSA-N 2 0 327.513 1.291 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)on1 ZINC000638602248 451600167 /nfs/dbraw/zinc/60/01/67/451600167.db2.gz MCHZTGUSTZYJIT-UHFFFAOYSA-N 2 0 336.436 1.195 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@]12CCCO2 ZINC000638565238 451580172 /nfs/dbraw/zinc/58/01/72/451580172.db2.gz RNKUPQANEXISPU-IPMKNSEASA-N 2 0 339.524 1.576 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[NH2+]1 ZINC000638652848 451633427 /nfs/dbraw/zinc/63/34/27/451633427.db2.gz BBYPRWDNBNHYPD-HFTRVMKXSA-N 2 0 341.459 1.058 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccccc3F)CC2)C1 ZINC000634999035 451641320 /nfs/dbraw/zinc/64/13/20/451641320.db2.gz PBGIQCINGWMDNU-OAHLLOKOSA-N 2 0 349.450 1.866 20 0 EDADRP CC[NH+]1CCC(NC(=O)Cn2cc(-c3cccc(C[NH3+])c3)nn2)CC1 ZINC000640867520 451654220 /nfs/dbraw/zinc/65/42/20/451654220.db2.gz SKIKLDCGJQDJSH-UHFFFAOYSA-N 2 0 342.447 1.004 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000636988072 451663630 /nfs/dbraw/zinc/66/36/30/451663630.db2.gz GCBULHBFXLGWTK-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638786060 451691243 /nfs/dbraw/zinc/69/12/43/451691243.db2.gz IYGLWVPVRTWWOC-PKOBYXMFSA-N 2 0 343.471 1.838 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(C(=O)c1cc(C3CC[NH2+]CC3)no1)CCO2 ZINC000638808683 451697436 /nfs/dbraw/zinc/69/74/36/451697436.db2.gz ZQURSKPZCNAMMV-UHFFFAOYSA-N 2 0 342.399 1.640 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638834921 451705757 /nfs/dbraw/zinc/70/57/57/451705757.db2.gz IFFKSRAOOKTCIX-WBVHZDCISA-N 2 0 331.460 1.249 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000638846567 451709486 /nfs/dbraw/zinc/70/94/86/451709486.db2.gz BXTHLBDPOSDMDK-LJQANCHMSA-N 2 0 339.439 1.527 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850040 451710397 /nfs/dbraw/zinc/71/03/97/451710397.db2.gz AYMDKBJGVJLHBP-RBUKOAKNSA-N 2 0 345.487 1.926 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000638871416 451715131 /nfs/dbraw/zinc/71/51/31/451715131.db2.gz AVRWCVNSSCRKOK-QZTJIDSGSA-N 2 0 349.475 1.119 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000638976627 451744157 /nfs/dbraw/zinc/74/41/57/451744157.db2.gz BHSGXWBPHJYMKX-ZDUSSCGKSA-N 2 0 327.379 1.333 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CCc2ncncc2C1 ZINC000638986217 451746783 /nfs/dbraw/zinc/74/67/83/451746783.db2.gz WXVQSYAPJTWHRV-ZDUSSCGKSA-N 2 0 338.415 1.025 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[C@@H]3CSCC[NH2+]3)C2)cc1 ZINC000639006780 451751677 /nfs/dbraw/zinc/75/16/77/451751677.db2.gz ZCVYVPWAFCPKRP-DLBZAZTESA-N 2 0 333.501 1.781 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639020391 451753230 /nfs/dbraw/zinc/75/32/30/451753230.db2.gz FGVSGLPAGGALLS-GUDVDZBRSA-N 2 0 342.487 1.894 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)cn1 ZINC000639028296 451754709 /nfs/dbraw/zinc/75/47/09/451754709.db2.gz YMJLHMZERLPTNC-CQSZACIVSA-N 2 0 327.432 1.223 20 0 EDADRP Cn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639080719 451764022 /nfs/dbraw/zinc/76/40/22/451764022.db2.gz TZTCTQZANWOTQT-HOTGVXAUSA-N 2 0 336.480 1.465 20 0 EDADRP [NH3+]C[C@H](O)CCc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179839 451770740 /nfs/dbraw/zinc/77/07/40/451770740.db2.gz SZRPFHJIWUSZRY-LJQANCHMSA-N 2 0 343.475 1.565 20 0 EDADRP CN(C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000641215652 451784891 /nfs/dbraw/zinc/78/48/91/451784891.db2.gz CPWMXSZYGZRENI-VYDXJSESSA-N 2 0 337.512 1.066 20 0 EDADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000639186052 451787976 /nfs/dbraw/zinc/78/79/76/451787976.db2.gz XWXZPYUJQYZWCQ-RDJZCZTQSA-N 2 0 348.491 1.949 20 0 EDADRP C[N@H+](CCCC[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C1CC1 ZINC000639243636 451797996 /nfs/dbraw/zinc/79/79/96/451797996.db2.gz CHMZJTRZUCORJB-UHFFFAOYSA-N 2 0 331.526 1.701 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000644525667 451841749 /nfs/dbraw/zinc/84/17/49/451841749.db2.gz UBKPJZUROWKPJC-FQEVSTJZSA-N 3 0 331.504 1.943 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000642030494 451808999 /nfs/dbraw/zinc/80/89/99/451808999.db2.gz QOKYTDWAHKCAAS-FLXSYLCISA-N 2 0 334.508 1.796 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000644618491 451897652 /nfs/dbraw/zinc/89/76/52/451897652.db2.gz OGGKCARYWNGRFG-OALUTQOASA-N 2 0 336.476 1.519 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C1 ZINC000641323708 451847815 /nfs/dbraw/zinc/84/78/15/451847815.db2.gz NTWHFFISFNHJHM-MRXNPFEDSA-N 2 0 349.500 1.437 20 0 EDADRP OCCO[C@@H]1CCC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639491198 451898984 /nfs/dbraw/zinc/89/89/84/451898984.db2.gz ZSYGOJOUQMWADZ-RTBURBONSA-N 2 0 334.460 1.097 20 0 EDADRP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000644587572 451880562 /nfs/dbraw/zinc/88/05/62/451880562.db2.gz YPRRNKDGRNFVAG-SFHVURJKSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000637469279 451885102 /nfs/dbraw/zinc/88/51/02/451885102.db2.gz AASLZPMNXGUDQY-WBVHZDCISA-N 2 0 338.496 1.149 20 0 EDADRP CO[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000644599015 451886135 /nfs/dbraw/zinc/88/61/35/451886135.db2.gz PUDSOEPKCBISJI-RHSMWYFYSA-N 2 0 341.883 1.225 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000637473307 451891497 /nfs/dbraw/zinc/89/14/97/451891497.db2.gz OMOQJLYGGOMQCF-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1cccc(CN2CCOCC2)c1)C1CC1 ZINC000644524537 451841872 /nfs/dbraw/zinc/84/18/72/451841872.db2.gz PHHIHEAQYFPNBV-IBGZPJMESA-N 3 0 333.476 1.064 20 0 EDADRP O=C([C@H]1CCc2cncn2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000649209205 451905805 /nfs/dbraw/zinc/90/58/05/451905805.db2.gz GVZFAFJJJWSECD-RDJZCZTQSA-N 2 0 332.448 1.159 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000639511918 451915892 /nfs/dbraw/zinc/91/58/92/451915892.db2.gz QXQAILOJPLJODY-PMACEKPBSA-N 2 0 331.504 1.897 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)[C@H]2C1 ZINC000646928315 451944066 /nfs/dbraw/zinc/94/40/66/451944066.db2.gz XKUFHCQGBJHWHH-MOPGFXCFSA-N 2 0 342.487 1.210 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000649272875 451945028 /nfs/dbraw/zinc/94/50/28/451945028.db2.gz LXNGEQWDUSUJIU-NJAFHUGGSA-N 2 0 341.459 1.045 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646940611 451956121 /nfs/dbraw/zinc/95/61/21/451956121.db2.gz JAYOSJFVDOFMIO-UYAOXDASSA-N 2 0 347.503 1.370 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1ccsc1 ZINC000649293256 451969450 /nfs/dbraw/zinc/96/94/50/451969450.db2.gz JSYRSGKIOWHBGR-MRXNPFEDSA-N 2 0 329.469 1.963 20 0 EDADRP COc1cc(CNC(=O)C2CCC([NH3+])CC2)ccc1OCC[NH+](C)C ZINC000649302050 451978685 /nfs/dbraw/zinc/97/86/85/451978685.db2.gz OPWITQJRXUBQSW-UHFFFAOYSA-N 2 0 349.475 1.769 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@@H](C)O1 ZINC000649302470 451978932 /nfs/dbraw/zinc/97/89/32/451978932.db2.gz RIGUEXUFZGIHPX-MGPQQGTHSA-N 2 0 333.423 1.237 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649309108 451987274 /nfs/dbraw/zinc/98/72/74/451987274.db2.gz YXVUEBAXCXNBDY-HNNXBMFYSA-N 2 0 337.489 1.312 20 0 EDADRP C[N@@H+]1CC[C@@](N)(C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000649312853 451991504 /nfs/dbraw/zinc/99/15/04/451991504.db2.gz DCLFRWCADNQIIL-SFHVURJKSA-N 2 0 348.516 1.249 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000649320254 451999633 /nfs/dbraw/zinc/99/96/33/451999633.db2.gz RVTSFRDXYGHTJU-IEBWSBKVSA-N 2 0 337.508 1.870 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000649326542 452006841 /nfs/dbraw/zinc/00/68/41/452006841.db2.gz BJHXVSSOXRVBAD-OIISXLGYSA-N 2 0 345.491 1.586 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649338899 452018892 /nfs/dbraw/zinc/01/88/92/452018892.db2.gz KQDQJFNUPIWGRI-PIIMJCKOSA-N 2 0 347.434 1.251 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC000649343897 452025239 /nfs/dbraw/zinc/02/52/39/452025239.db2.gz ASNMUIDRYBRKIL-NXHRZFHOSA-N 2 0 347.507 1.222 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649346800 452028873 /nfs/dbraw/zinc/02/88/73/452028873.db2.gz MINYNJOLZWCJNS-INIZCTEOSA-N 2 0 348.495 1.300 20 0 EDADRP CC[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649359390 452040367 /nfs/dbraw/zinc/04/03/67/452040367.db2.gz WMMAZDRECFPSEX-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(N)CC[NH+](C)C2)CC1 ZINC000649378637 452052299 /nfs/dbraw/zinc/05/22/99/452052299.db2.gz PUPYQSLPQHXZOJ-QFBILLFUSA-N 2 0 336.524 1.523 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651753584 452055574 /nfs/dbraw/zinc/05/55/74/452055574.db2.gz WPRFDIWBSYBMBF-UHFFFAOYSA-N 2 0 328.464 1.383 20 0 EDADRP CN(C[C@@H]1CCC[NH+]1C)c1nccnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000643197845 452063921 /nfs/dbraw/zinc/06/39/21/452063921.db2.gz DPURJPWMOJKSNS-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000649411091 452073781 /nfs/dbraw/zinc/07/37/81/452073781.db2.gz ODGLSOKDWKCUMN-PKOBYXMFSA-N 2 0 333.476 1.534 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000637807118 452092590 /nfs/dbraw/zinc/09/25/90/452092590.db2.gz RRKHGVIPXCPPJE-GOSISDBHSA-N 2 0 342.443 1.256 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)COc3ccc4c(c3)OCO4)C2)CC1 ZINC000639758241 452096282 /nfs/dbraw/zinc/09/62/82/452096282.db2.gz RHDMOHAVTJTUIL-OAHLLOKOSA-N 2 0 348.443 1.573 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000641566400 452096811 /nfs/dbraw/zinc/09/68/11/452096811.db2.gz CWOIQNLXPWWRPJ-OTVXOJSOSA-N 2 0 337.489 1.293 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637815651 452098643 /nfs/dbraw/zinc/09/86/43/452098643.db2.gz BWRGHSLRJHMOIR-GOSISDBHSA-N 2 0 344.503 1.710 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCC[C@H]3CC[NH2+]C3)ccc2[nH]c1=O ZINC000637831750 452105473 /nfs/dbraw/zinc/10/54/73/452105473.db2.gz BZUQAGQUXWZQOP-CYBMUJFWSA-N 2 0 345.447 1.033 20 0 EDADRP C[NH+]1CCC2(CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000641584800 452107508 /nfs/dbraw/zinc/10/75/08/452107508.db2.gz BSZGYLRBLGOZTG-UHFFFAOYSA-N 2 0 329.510 1.220 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647179572 452108899 /nfs/dbraw/zinc/10/88/99/452108899.db2.gz FBUKBCPLQBGXAK-UHFFFAOYSA-N 2 0 342.491 1.631 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000647181078 452111009 /nfs/dbraw/zinc/11/10/09/452111009.db2.gz IKLSLNDHFNASJH-KRWDZBQOSA-N 2 0 327.476 1.906 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314506 452177056 /nfs/dbraw/zinc/17/70/56/452177056.db2.gz AOHUSRPOISFFIW-DZGCQCFKSA-N 2 0 338.473 1.541 20 0 EDADRP CC[C@@H](C)C[C@H](CO)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000647336737 452180401 /nfs/dbraw/zinc/18/04/01/452180401.db2.gz FRVROSIJZPCFMF-SJLPKXTDSA-N 2 0 327.513 1.170 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(c3ccc(F)cn3)CC2)CC1 ZINC000639869525 452205702 /nfs/dbraw/zinc/20/57/02/452205702.db2.gz LSKHNLUFCLYVFH-OAHLLOKOSA-N 2 0 348.466 1.953 20 0 EDADRP O=C1CCCN1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651993721 452210438 /nfs/dbraw/zinc/21/04/38/452210438.db2.gz RVJSFTDXPWOUKL-UHFFFAOYSA-N 2 0 331.460 1.873 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCN(c3cc[nH+]cc3)CC2)C1(C)C ZINC000645221464 452217300 /nfs/dbraw/zinc/21/73/00/452217300.db2.gz NMZSDFDTGVPSRO-QAPCUYQASA-N 2 0 332.448 1.263 20 0 EDADRP NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000643452185 452229621 /nfs/dbraw/zinc/22/96/21/452229621.db2.gz LDLJEHKZILAOCI-CWLKWCNXSA-N 2 0 342.487 1.875 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000641757942 452240140 /nfs/dbraw/zinc/24/01/40/452240140.db2.gz MOJHMFDMZTXZFF-HOTGVXAUSA-N 2 0 340.512 1.374 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H](C)CO)CC2)CC1 ZINC000649802613 452266844 /nfs/dbraw/zinc/26/68/44/452266844.db2.gz QIAIFLPVPWKBDI-HNNXBMFYSA-N 2 0 325.497 1.316 20 0 EDADRP C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659426654 452268229 /nfs/dbraw/zinc/26/82/29/452268229.db2.gz ZQUPVJSTOFPGTN-IAGOWNOFSA-N 2 0 334.439 1.665 20 0 EDADRP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541269 452273297 /nfs/dbraw/zinc/27/32/97/452273297.db2.gz VPPUHSWRDXXCPQ-SFHVURJKSA-N 2 0 328.460 1.058 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000647545170 452273747 /nfs/dbraw/zinc/27/37/47/452273747.db2.gz CNFRCUYNJJFBMJ-AEFFLSMTSA-N 2 0 327.432 1.596 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659451021 452300968 /nfs/dbraw/zinc/30/09/68/452300968.db2.gz LKEBLMIBOQPWJX-ZJRDLVKKSA-N 2 0 342.487 1.684 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000665745616 452314216 /nfs/dbraw/zinc/31/42/16/452314216.db2.gz KCNHRIIOWACNFX-JJXSEGSLSA-N 2 0 340.512 1.068 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652119740 452314721 /nfs/dbraw/zinc/31/47/21/452314721.db2.gz XGPIWZFXWWFFIF-GOSISDBHSA-N 2 0 332.492 1.848 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000659460822 452316412 /nfs/dbraw/zinc/31/64/12/452316412.db2.gz UIMQOPLBIONPBC-VDHUWJSZSA-N 2 0 330.476 1.914 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000638050321 452320141 /nfs/dbraw/zinc/32/01/41/452320141.db2.gz NGXRGHSECRJXLB-GOSISDBHSA-N 2 0 333.476 1.947 20 0 EDADRP CO[C@@H](C[NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CCOC1 ZINC000657540236 452323728 /nfs/dbraw/zinc/32/37/28/452323728.db2.gz FRRLCMDZYOOKMH-ROUUACIJSA-N 2 0 340.508 1.910 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@]1(C)CCCC[C@@H]1O ZINC000665759520 452325781 /nfs/dbraw/zinc/32/57/81/452325781.db2.gz JERWNPBKKYZBIU-XYJFISCASA-N 2 0 342.528 1.499 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCSC(C)(C)C1 ZINC000665759473 452326982 /nfs/dbraw/zinc/32/69/82/452326982.db2.gz IETAMFGWIDSGCB-AWEZNQCLSA-N 2 0 330.542 1.795 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1)C(F)(F)F ZINC000663600643 452327790 /nfs/dbraw/zinc/32/77/90/452327790.db2.gz WCUKHDXDCXKQIF-CHWSQXEVSA-N 2 0 336.402 1.687 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638054252 452334576 /nfs/dbraw/zinc/33/45/76/452334576.db2.gz DXDGKXILQMQIJR-IEBWSBKVSA-N 2 0 346.519 1.826 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652141470 452335871 /nfs/dbraw/zinc/33/58/71/452335871.db2.gz QMXGGEDFONUZGX-KZNAEPCWSA-N 2 0 348.491 1.603 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000652150310 452342109 /nfs/dbraw/zinc/34/21/09/452342109.db2.gz SAZQMCJFSLJOSM-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652148073 452343313 /nfs/dbraw/zinc/34/33/13/452343313.db2.gz MUOSFYIVUVDTLK-QKPAOTATSA-N 2 0 326.485 1.255 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1F ZINC000659490045 452351347 /nfs/dbraw/zinc/35/13/47/452351347.db2.gz NEVIYRFGDCWSGT-BRWVUGGUSA-N 2 0 334.439 1.589 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)Cc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000638061044 452354213 /nfs/dbraw/zinc/35/42/13/452354213.db2.gz XOYYWWKNXHAKLT-IYBDPMFKSA-N 2 0 345.487 1.490 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)Cc2cccc3c2CC[NH2+]C3)C[C@@H](C)O1 ZINC000638061043 452354850 /nfs/dbraw/zinc/35/48/50/452354850.db2.gz XOYYWWKNXHAKLT-HZPDHXFCSA-N 2 0 345.487 1.490 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638065862 452366805 /nfs/dbraw/zinc/36/68/05/452366805.db2.gz BZJMDXQYUDJZLN-JFIYKMOQSA-N 2 0 325.497 1.616 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000659509562 452373633 /nfs/dbraw/zinc/37/36/33/452373633.db2.gz HDJQUFJSPXIALL-VDHUWJSZSA-N 2 0 330.476 1.819 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000638068184 452374738 /nfs/dbraw/zinc/37/47/38/452374738.db2.gz HJXUPXJVQOPOQL-WBVHZDCISA-N 2 0 337.489 1.119 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000659514966 452377667 /nfs/dbraw/zinc/37/76/67/452377667.db2.gz GTURNFPJHMHEKQ-NJAFHUGGSA-N 2 0 346.475 1.582 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000638070624 452378431 /nfs/dbraw/zinc/37/84/31/452378431.db2.gz SOHWOIWTXQELRT-XYJFISCASA-N 2 0 333.476 1.767 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663640073 452383426 /nfs/dbraw/zinc/38/34/26/452383426.db2.gz BJOOKQVOQOOWKU-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659522646 452386881 /nfs/dbraw/zinc/38/68/81/452386881.db2.gz FDSWSXLQSBVLKR-QZTJIDSGSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000659524278 452387474 /nfs/dbraw/zinc/38/74/74/452387474.db2.gz RLZGMQSETGBBAU-QAPCUYQASA-N 2 0 348.491 1.959 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(COC)CCCC[NH2+]2)c1 ZINC000638078659 452393121 /nfs/dbraw/zinc/39/31/21/452393121.db2.gz DYSJUZUAGLHHAS-LJQANCHMSA-N 2 0 333.476 1.913 20 0 EDADRP C[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](C)[C@H]3CO)COC2)[C@@H]1CO ZINC000640057047 452400291 /nfs/dbraw/zinc/40/02/91/452400291.db2.gz OEEQDXKYJOQUEY-BRSBDYLESA-N 2 0 340.508 1.189 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)nc2)CC1 ZINC000655604759 452426381 /nfs/dbraw/zinc/42/63/81/452426381.db2.gz AREPGHFUMRZJSE-YJBOKZPZSA-N 2 0 329.448 1.162 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380878 452431822 /nfs/dbraw/zinc/43/18/22/452431822.db2.gz ILQRKHIKTVQZAC-UUAJXVIYSA-N 2 0 338.496 1.410 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659580494 452435058 /nfs/dbraw/zinc/43/50/58/452435058.db2.gz CPRSBWKAEDVPRS-ODVANORSSA-N 2 0 334.439 1.650 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659580764 452435817 /nfs/dbraw/zinc/43/58/17/452435817.db2.gz DUKYSOUNIYFHFK-BRWVUGGUSA-N 2 0 334.439 1.794 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000659581672 452436892 /nfs/dbraw/zinc/43/68/92/452436892.db2.gz QZSRTMQHECRIRO-WOSRLPQWSA-N 2 0 338.402 1.414 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659587979 452443819 /nfs/dbraw/zinc/44/38/19/452443819.db2.gz BAUREEFKOROCCU-BZSNNMDCSA-N 2 0 346.450 1.807 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000652277577 452464901 /nfs/dbraw/zinc/46/49/01/452464901.db2.gz LYDAHKLCLMYECO-HNNXBMFYSA-N 2 0 334.439 1.912 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000652291965 452477346 /nfs/dbraw/zinc/47/73/46/452477346.db2.gz PQUSKBVKVFXPDQ-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657752846 452501508 /nfs/dbraw/zinc/50/15/08/452501508.db2.gz SOLGEHHKALEVED-IBGZPJMESA-N 2 0 341.459 1.919 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000659644877 452506783 /nfs/dbraw/zinc/50/67/83/452506783.db2.gz HMWKBFHZWVLZQI-QGZVFWFLSA-N 2 0 347.507 1.054 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345520 452520063 /nfs/dbraw/zinc/52/00/63/452520063.db2.gz DEWNSJRXWDERDJ-ZMSDIMECSA-N 2 0 342.443 1.413 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647785567 452520903 /nfs/dbraw/zinc/52/09/03/452520903.db2.gz BBSNWVGVXVWBFG-SOUVJXGZSA-N 2 0 334.464 1.219 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348454 452522066 /nfs/dbraw/zinc/52/20/66/452522066.db2.gz FFPYDSXPOBGLFZ-IIAWOOMASA-N 2 0 343.431 1.850 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)COc1ccc2c(c1)OCO2 ZINC000647789830 452522237 /nfs/dbraw/zinc/52/22/37/452522237.db2.gz MEPNUAYFUJJQRE-GBJTYRQASA-N 2 0 334.416 1.133 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346888 452522457 /nfs/dbraw/zinc/52/24/57/452522457.db2.gz LALHMWATXHRVNC-QAETUUGQSA-N 2 0 325.497 1.756 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)COc1ccc2c(c1)OCO2 ZINC000647789829 452523156 /nfs/dbraw/zinc/52/31/56/452523156.db2.gz MEPNUAYFUJJQRE-BYNSBNAKSA-N 2 0 334.416 1.133 20 0 EDADRP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347217 452523440 /nfs/dbraw/zinc/52/34/40/452523440.db2.gz VYJVUUIXTXFYOT-GVDBMIGSSA-N 2 0 325.497 1.853 20 0 EDADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647793387 452524560 /nfs/dbraw/zinc/52/45/60/452524560.db2.gz WEIBLEXKSBCBHR-IFLJBQAJSA-N 2 0 343.515 1.847 20 0 EDADRP O=C(CC(F)(F)F)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792164 452525123 /nfs/dbraw/zinc/52/51/23/452525123.db2.gz USBPRUDDRZYWRG-SGMGOOAPSA-N 2 0 333.398 1.908 20 0 EDADRP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361872 452542766 /nfs/dbraw/zinc/54/27/66/452542766.db2.gz ROZJYVZVUBYWTB-BBWFWOEESA-N 2 0 325.497 1.996 20 0 EDADRP Cc1cccc(N2CCN(CCC[NH2+][C@H](C)Cn3cncn3)CC2)c1 ZINC000657825960 452552639 /nfs/dbraw/zinc/55/26/39/452552639.db2.gz CIJFPMGRCFVSRL-GOSISDBHSA-N 2 0 342.491 1.777 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654487535 452558443 /nfs/dbraw/zinc/55/84/43/452558443.db2.gz LRMRYTWWAPBGNP-NCOADZHNSA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657837145 452558689 /nfs/dbraw/zinc/55/86/89/452558689.db2.gz QNVCAXIGBNSKFI-WMZOPIPTSA-N 2 0 327.513 1.434 20 0 EDADRP OCCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655771102 452568861 /nfs/dbraw/zinc/56/88/61/452568861.db2.gz AGZJDUSPEJWVHU-QZTJIDSGSA-N 2 0 325.497 1.066 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)ccn1 ZINC000654512266 452587054 /nfs/dbraw/zinc/58/70/54/452587054.db2.gz SZLGJOLILKJBFH-IYBDPMFKSA-N 2 0 349.479 1.161 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C1 ZINC000652400089 452591325 /nfs/dbraw/zinc/59/13/25/452591325.db2.gz VYQQMECFBCWIFK-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657899750 452599458 /nfs/dbraw/zinc/59/94/58/452599458.db2.gz WYOBNUGRIVXUDI-KRWDZBQOSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2COC3(CCC3)C2)cc1 ZINC000657918225 452610956 /nfs/dbraw/zinc/61/09/56/452610956.db2.gz BGHBHLCDLCMCRZ-QGZVFWFLSA-N 2 0 331.460 1.779 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881169 452621599 /nfs/dbraw/zinc/62/15/99/452621599.db2.gz KPJJLZGBUYSSSM-JSGCOSHPSA-N 2 0 332.366 1.986 20 0 EDADRP O=c1c2ccccc2ncn1CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903853 452645877 /nfs/dbraw/zinc/64/58/77/452645877.db2.gz QXWPBPXTGQGBBO-RDJZCZTQSA-N 2 0 326.444 1.861 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654569419 452654666 /nfs/dbraw/zinc/65/46/66/452654666.db2.gz IDDHMNRPUVEOQL-LUKYLMHMSA-N 2 0 342.528 1.904 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965615 452709805 /nfs/dbraw/zinc/70/98/05/452709805.db2.gz CLSBRCZMUQHWLU-KRWDZBQOSA-N 2 0 327.513 1.264 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C3([NH+](C)C)CC3)CC2)c1 ZINC000666272930 452737198 /nfs/dbraw/zinc/73/71/98/452737198.db2.gz OMMCIJCOWMYREQ-UHFFFAOYSA-N 2 0 344.503 1.718 20 0 EDADRP CC(C)Cn1nccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000648004371 452745091 /nfs/dbraw/zinc/74/50/91/452745091.db2.gz BVGKDWGJZPAOSN-UHFFFAOYSA-N 2 0 335.496 1.429 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)C1CC1 ZINC000664093425 452783495 /nfs/dbraw/zinc/78/34/95/452783495.db2.gz FJNRQZWDHPSYPG-HZPDHXFCSA-N 2 0 336.480 1.023 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000648106894 452825265 /nfs/dbraw/zinc/82/52/65/452825265.db2.gz GRIVDKLLKYWWFS-HNNXBMFYSA-N 2 0 326.404 1.101 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC000664173991 452842534 /nfs/dbraw/zinc/84/25/34/452842534.db2.gz QQCHPPMXHXXHTI-CABCVRRESA-N 2 0 326.485 1.127 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@H]2C1 ZINC000648175716 452887447 /nfs/dbraw/zinc/88/74/47/452887447.db2.gz OMMHVJGBQIOKES-ZWKOTPCHSA-N 2 0 343.471 1.239 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C1CCCCC1 ZINC000662252632 452981334 /nfs/dbraw/zinc/98/13/34/452981334.db2.gz CIYXHSZGZJTYNN-KRWDZBQOSA-N 2 0 335.492 1.668 20 0 EDADRP CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](CC)C1 ZINC000664310154 452984611 /nfs/dbraw/zinc/98/46/11/452984611.db2.gz ANUQYWDMEXBLTJ-GOEBONIOSA-N 2 0 328.526 1.549 20 0 EDADRP CCN1C[C@H](C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)Oc2ccccc21 ZINC000662261200 452990944 /nfs/dbraw/zinc/99/09/44/452990944.db2.gz UPVHMCWNQHPFBG-CVEARBPZSA-N 2 0 331.460 1.727 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)cc1 ZINC000662315422 453032595 /nfs/dbraw/zinc/03/25/95/453032595.db2.gz FIFIHNASPHEJRN-WBVHZDCISA-N 2 0 331.460 1.682 20 0 EDADRP Cc1csc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336763 453053343 /nfs/dbraw/zinc/05/33/43/453053343.db2.gz GMBUAVLQWUZAFA-CQSZACIVSA-N 2 0 346.504 1.964 20 0 EDADRP Nc1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ccn1 ZINC000662337902 453055139 /nfs/dbraw/zinc/05/51/39/453055139.db2.gz NQWHOYBEZNAULE-HNNXBMFYSA-N 2 0 341.463 1.176 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCN2C[C@H](C)OC[C@@H]2C)C1 ZINC000664395704 453059581 /nfs/dbraw/zinc/05/95/81/453059581.db2.gz IYNZHNSMLCQVLO-YESZJQIVSA-N 2 0 340.512 1.373 20 0 EDADRP CO[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000660141072 453071673 /nfs/dbraw/zinc/07/16/73/453071673.db2.gz QZLYLSRHFMXROV-RYQLBKOJSA-N 2 0 325.497 1.138 20 0 EDADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660152885 453084687 /nfs/dbraw/zinc/08/46/87/453084687.db2.gz CCEOZCXQQUVOBG-ZWKOTPCHSA-N 2 0 338.540 1.497 20 0 EDADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644153831 453085942 /nfs/dbraw/zinc/08/59/42/453085942.db2.gz VQZWCSYQWPSKHC-HOTGVXAUSA-N 2 0 337.414 1.964 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000662379442 453087460 /nfs/dbraw/zinc/08/74/60/453087460.db2.gz YMBRFQAZHLLCKH-FZMZJTMJSA-N 2 0 333.461 1.581 20 0 EDADRP Cc1cc(CNC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc(C)n1 ZINC000656340639 453101945 /nfs/dbraw/zinc/10/19/45/453101945.db2.gz RPCBKLADSDZSBM-IAGOWNOFSA-N 2 0 344.459 1.448 20 0 EDADRP CC[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCO1 ZINC000648488489 453107594 /nfs/dbraw/zinc/10/75/94/453107594.db2.gz XPRHGQNUEIDTRM-FHWLQOOXSA-N 2 0 347.503 1.823 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000666770770 453136224 /nfs/dbraw/zinc/13/62/24/453136224.db2.gz VRNPMZBGNSRDJJ-WBMJQRKESA-N 2 0 330.432 1.245 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000655014692 453137087 /nfs/dbraw/zinc/13/70/87/453137087.db2.gz ZPEZTCVJVMOXCH-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[C@@H]1[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000662433513 453142525 /nfs/dbraw/zinc/14/25/25/453142525.db2.gz IIMPUIMTWNSYTJ-UNEWFSDZSA-N 2 0 348.466 1.882 20 0 EDADRP CC(C)(CNC(=O)C[N@@H+]1CCCC[C@H]1C1CCC1)N1CCOCC1 ZINC000646137438 453146997 /nfs/dbraw/zinc/14/69/97/453146997.db2.gz GNBVRCRSVAKODD-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666837647 453180656 /nfs/dbraw/zinc/18/06/56/453180656.db2.gz HUQWFEXVQXOCSE-OAHLLOKOSA-N 2 0 332.448 1.274 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000648648728 453185259 /nfs/dbraw/zinc/18/52/59/453185259.db2.gz QPVVUIPZRJVOMI-GOSISDBHSA-N 2 0 335.492 1.563 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662485732 453203104 /nfs/dbraw/zinc/20/31/04/453203104.db2.gz SPXQSAGXMRJGLL-AWEZNQCLSA-N 2 0 334.468 1.007 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000646214761 453226520 /nfs/dbraw/zinc/22/65/20/453226520.db2.gz IZNKMLBCUKLETK-CABCVRRESA-N 2 0 336.480 1.894 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cn[nH]c3[C@H]3CC[NH2+]C3)sc2C1 ZINC000662519740 453238355 /nfs/dbraw/zinc/23/83/55/453238355.db2.gz YNTDGQBIDHIPRL-IUCAKERBSA-N 2 0 332.433 1.011 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C2CCC2)nn1 ZINC000648759538 453239112 /nfs/dbraw/zinc/23/91/12/453239112.db2.gz IBJCCEIDRBQJIF-MRXNPFEDSA-N 2 0 348.495 1.491 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000666920222 453242321 /nfs/dbraw/zinc/24/23/21/453242321.db2.gz PZKZVGJLSOVYRD-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000658687000 453272678 /nfs/dbraw/zinc/27/26/78/453272678.db2.gz OJTPJJLCEDMROY-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CCC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000653111252 453297702 /nfs/dbraw/zinc/29/77/02/453297702.db2.gz KAHQEBAWYSYGLV-INIZCTEOSA-N 2 0 349.475 1.642 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1 ZINC000653112250 453298071 /nfs/dbraw/zinc/29/80/71/453298071.db2.gz RZIORDUUDPPGII-WFASDCNBSA-N 2 0 331.420 1.632 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000653114874 453303676 /nfs/dbraw/zinc/30/36/76/453303676.db2.gz ZQQQSQFVGIJJTD-FGTMMUONSA-N 2 0 336.524 1.393 20 0 EDADRP CCO[C@@H]1CN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C[C@H]1C[NH3+] ZINC000662582389 453310167 /nfs/dbraw/zinc/31/01/67/453310167.db2.gz OXCAVLBRDBKKEF-JFIYKMOQSA-N 2 0 331.460 1.501 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)Cc2ccccc2C1 ZINC000653120810 453311116 /nfs/dbraw/zinc/31/11/16/453311116.db2.gz BGBALOMMXKKULQ-MSOLQXFVSA-N 2 0 327.472 1.732 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000651192380 453340321 /nfs/dbraw/zinc/34/03/21/453340321.db2.gz LHNUKDOVALUJPJ-SJORKVTESA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000651192377 453341125 /nfs/dbraw/zinc/34/11/25/453341125.db2.gz LHNUKDOVALUJPJ-DLBZAZTESA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H](NC(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000653156863 453348420 /nfs/dbraw/zinc/34/84/20/453348420.db2.gz NWOLVLFEHRGKAO-RYQLBKOJSA-N 2 0 332.492 1.292 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCOC1C[NH2+]C1 ZINC000653201930 453394451 /nfs/dbraw/zinc/39/44/51/453394451.db2.gz BLLFPTDQNRBQBZ-YESZJQIVSA-N 2 0 345.487 1.875 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662676716 453396350 /nfs/dbraw/zinc/39/63/50/453396350.db2.gz JXJVXSIICHPVJS-UHFFFAOYSA-N 2 0 328.460 1.837 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000662694460 453414027 /nfs/dbraw/zinc/41/40/27/453414027.db2.gz QQJBZVMNMPWXSO-IUVQAAGXSA-N 2 0 337.508 1.756 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(N3CCOC[C@H]3C)CC2)C[C@@H](C)O1 ZINC000660589012 453431283 /nfs/dbraw/zinc/43/12/83/453431283.db2.gz DBRFGENLAXCRQO-BRWVUGGUSA-N 2 0 325.497 1.281 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC[N@@H+](C2CC2)C1 ZINC000667171423 453450402 /nfs/dbraw/zinc/45/04/02/453450402.db2.gz YKCSKIBMKORYLS-CYBMUJFWSA-N 2 0 330.432 1.027 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)n(C2CC[NH+](C)CC2)n1 ZINC000667176530 453454379 /nfs/dbraw/zinc/45/43/79/453454379.db2.gz UKEIONUKKFAFAT-KGLIPLIRSA-N 2 0 334.468 1.850 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1)[C@H](C)[NH3+] ZINC000662741035 453466994 /nfs/dbraw/zinc/46/69/94/453466994.db2.gz CECZXQXEYDUCML-WDSOQIARSA-N 2 0 346.519 1.538 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)ccn1 ZINC000655352667 453471655 /nfs/dbraw/zinc/47/16/55/453471655.db2.gz OAAYTBPPTPLXLK-IAGOWNOFSA-N 2 0 346.475 1.769 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662744871 453472646 /nfs/dbraw/zinc/47/26/46/453472646.db2.gz IZEAJVXQFJBLHU-CVEARBPZSA-N 2 0 348.495 1.539 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662778265 453512987 /nfs/dbraw/zinc/51/29/87/453512987.db2.gz ZEKAYDVHBQRDOW-CQSZACIVSA-N 2 0 331.313 1.952 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CCCC1 ZINC000662785429 453519150 /nfs/dbraw/zinc/51/91/50/453519150.db2.gz HXVLQURBZGKOTO-INIZCTEOSA-N 2 0 348.495 1.539 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662784904 453519370 /nfs/dbraw/zinc/51/93/70/453519370.db2.gz FORGOKWJKSPISP-OAHLLOKOSA-N 2 0 336.484 1.253 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662804255 453539602 /nfs/dbraw/zinc/53/96/02/453539602.db2.gz PDZKZPPVLNPKQI-DZJNRPSUSA-N 2 0 331.460 1.377 20 0 EDADRP O=C(NCC[NH2+]C1CC1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000667296570 453542796 /nfs/dbraw/zinc/54/27/96/453542796.db2.gz JHNLWDDDJULMMJ-UHFFFAOYSA-N 2 0 344.459 1.132 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000658980301 453560880 /nfs/dbraw/zinc/56/08/80/453560880.db2.gz GOXIBTNFFQZVII-UHFFFAOYSA-N 2 0 343.475 1.784 20 0 EDADRP Cc1c(C[NH3+])c(NC(=O)CC2([NH+]3CCOCC3)CCCC2)nn1C ZINC000662837139 453561671 /nfs/dbraw/zinc/56/16/71/453561671.db2.gz LCCWOSKZZDXEOC-UHFFFAOYSA-N 2 0 335.452 1.161 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858060 453573586 /nfs/dbraw/zinc/57/35/86/453573586.db2.gz DRMABYCWTSDLJT-IAGOWNOFSA-N 2 0 331.460 1.258 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000662869053 453581213 /nfs/dbraw/zinc/58/12/13/453581213.db2.gz WEXZRVMFYZHDBL-IRXDYDNUSA-N 2 0 335.423 1.156 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659018750 453582756 /nfs/dbraw/zinc/58/27/56/453582756.db2.gz TWVFJANHCMKGRS-MRXNPFEDSA-N 2 0 344.459 1.707 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034556 453591335 /nfs/dbraw/zinc/59/13/35/453591335.db2.gz OGGLPFDYCZCKAH-WMLDXEAASA-N 2 0 332.448 1.811 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659092443 453626217 /nfs/dbraw/zinc/62/62/17/453626217.db2.gz XBUCVPWOQODFJC-AWEZNQCLSA-N 2 0 346.475 1.629 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(COC)CC2)CC1 ZINC000665289288 453637112 /nfs/dbraw/zinc/63/71/12/453637112.db2.gz KUSDYJWWLNESTQ-UHFFFAOYSA-N 2 0 325.497 1.772 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659290589 453703781 /nfs/dbraw/zinc/70/37/81/453703781.db2.gz MFSKZCLIYVZSGD-INIZCTEOSA-N 2 0 334.464 1.438 20 0 EDADRP O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401863 453782271 /nfs/dbraw/zinc/78/22/71/453782271.db2.gz YTOIPCYHDSAMLP-MOPGFXCFSA-N 2 0 341.459 1.735 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000661335932 453794928 /nfs/dbraw/zinc/79/49/28/453794928.db2.gz FXIGREVEELPILR-PREGVCBESA-N 2 0 338.496 1.412 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361428 453799461 /nfs/dbraw/zinc/79/94/61/453799461.db2.gz MCGMCXPOZNNRIT-WCVJEAGWSA-N 2 0 326.485 1.268 20 0 EDADRP CN(CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000614437615 486654426 /nfs/dbraw/zinc/65/44/26/486654426.db2.gz IPAYBXYVPBQXEJ-GOSISDBHSA-N 2 0 346.475 1.621 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000414928983 486734319 /nfs/dbraw/zinc/73/43/19/486734319.db2.gz QWMJIZVTGVJQHB-DLBZAZTESA-N 2 0 331.460 1.951 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc21 ZINC000415646313 486762439 /nfs/dbraw/zinc/76/24/39/486762439.db2.gz MQXWZMZCVZCEEL-JJRVBVJISA-N 2 0 344.459 1.560 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271320 486776224 /nfs/dbraw/zinc/77/62/24/486776224.db2.gz HVMJMMJLKYSCIO-YJNKEBTESA-N 2 0 343.537 1.699 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000417909595 486815533 /nfs/dbraw/zinc/81/55/33/486815533.db2.gz KFIDOKPWKRXRPT-XLNGHYISSA-N 2 0 338.496 1.323 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417969587 486819257 /nfs/dbraw/zinc/81/92/57/486819257.db2.gz OMYGZVQFMWEYKH-HOTGVXAUSA-N 2 0 331.464 1.867 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000684117057 486949933 /nfs/dbraw/zinc/94/99/33/486949933.db2.gz WDIWQOUHYKZQLF-HNNXBMFYSA-N 2 0 336.484 1.687 20 0 EDADRP COC1CC[NH+](CCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000684163376 486962976 /nfs/dbraw/zinc/96/29/76/486962976.db2.gz PTUVSTRJPASLJM-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@H](CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)[NH+]1CCC(C)CC1 ZINC000667793882 486967979 /nfs/dbraw/zinc/96/79/79/486967979.db2.gz QQWRSMDAVPSFLH-CQSZACIVSA-N 2 0 331.464 1.969 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684202556 486985035 /nfs/dbraw/zinc/98/50/35/486985035.db2.gz XBOLXGLDLDVQCE-QGZVFWFLSA-N 2 0 346.523 1.274 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)[C@@H](C)C3)ncn2)C[C@@H]1C ZINC000681236709 486985230 /nfs/dbraw/zinc/98/52/30/486985230.db2.gz SVRLRMOCSUKWJX-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000681250465 486990023 /nfs/dbraw/zinc/99/00/23/486990023.db2.gz GTNBWEVPMUALHH-CVEARBPZSA-N 2 0 325.497 1.866 20 0 EDADRP CC[N@@H+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H]1C ZINC000677202606 487008208 /nfs/dbraw/zinc/00/82/08/487008208.db2.gz LNPPPZAZFNDANA-CYBMUJFWSA-N 2 0 347.463 1.405 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673669314 487084662 /nfs/dbraw/zinc/08/46/62/487084662.db2.gz HBCAYFSMKQATRS-SOLBZPMBSA-N 2 0 336.524 1.486 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000673670618 487085852 /nfs/dbraw/zinc/08/58/52/487085852.db2.gz HPMVMFBYIUQYMT-SFHVURJKSA-N 2 0 344.503 1.458 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCO1 ZINC000668164948 487125946 /nfs/dbraw/zinc/12/59/46/487125946.db2.gz WSVDAVITGVGYPM-RWMBFGLXSA-N 2 0 326.466 1.108 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673841373 487129638 /nfs/dbraw/zinc/12/96/38/487129638.db2.gz UVOVBJQPCCEGMR-IBGZPJMESA-N 2 0 333.476 1.424 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000673871181 487141744 /nfs/dbraw/zinc/14/17/44/487141744.db2.gz XZGWTHWBNHTXLC-UHFFFAOYSA-N 2 0 334.468 1.441 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859916 487184497 /nfs/dbraw/zinc/18/44/97/487184497.db2.gz IXVAWCNQZACVCX-JKSUJKDBSA-N 2 0 341.521 1.137 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000673979701 487175795 /nfs/dbraw/zinc/17/57/95/487175795.db2.gz IXXFCEMCDMCVJT-GOEBONIOSA-N 2 0 326.510 1.207 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677984286 487219812 /nfs/dbraw/zinc/21/98/12/487219812.db2.gz RQDPTTNXCCORKE-GOSISDBHSA-N 2 0 337.508 1.676 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C[C@@H]1C ZINC000677984678 487219913 /nfs/dbraw/zinc/21/99/13/487219913.db2.gz MSRQLSYIHPEAJK-HOTGVXAUSA-N 2 0 339.528 1.137 20 0 EDADRP CC[NH+]1CCCN(c2nccnc2N2CCC[N@@H+](CC)CC2)CC1 ZINC000679391186 487421231 /nfs/dbraw/zinc/42/12/31/487421231.db2.gz OECQIZOUTBWWEG-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)c3cccn3C3CC[NH2+]CC3)cc2C1 ZINC000669513512 485478659 /nfs/dbraw/zinc/47/86/59/485478659.db2.gz YAGFMTQITGCPBA-CQSZACIVSA-N 2 0 339.443 1.876 20 0 EDADRP CC[C@H]1CN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC[C@@H]1[NH3+] ZINC000669513900 485479044 /nfs/dbraw/zinc/47/90/44/485479044.db2.gz PKJZKCYSJFTIMW-RDJZCZTQSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669561207 485568901 /nfs/dbraw/zinc/56/89/01/485568901.db2.gz YXUXEQIPVYTNGK-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669573811 485606669 /nfs/dbraw/zinc/60/66/69/485606669.db2.gz AMPMJAPRLFKBSD-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000671820442 485618065 /nfs/dbraw/zinc/61/80/65/485618065.db2.gz ZQSDVBCYYYYKQN-XHSDSOJGSA-N 2 0 342.528 1.122 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1 ZINC000669586765 485637592 /nfs/dbraw/zinc/63/75/92/485637592.db2.gz SXNMFPYTBCIWNR-OSJSJHBBSA-N 2 0 334.464 1.891 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000669132408 485719016 /nfs/dbraw/zinc/71/90/16/485719016.db2.gz AQNJGNRGUPZOFG-AEFFLSMTSA-N 2 0 346.475 1.520 20 0 EDADRP C[C@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000669145284 485733692 /nfs/dbraw/zinc/73/36/92/485733692.db2.gz JPLBPSFSUOFWFJ-KBPBESRZSA-N 2 0 340.512 1.068 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccc(F)cc1 ZINC000669398664 486059212 /nfs/dbraw/zinc/05/92/12/486059212.db2.gz NZDXFOYILYZDEB-KBRIMQKVSA-N 2 0 334.439 1.822 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669401003 486065257 /nfs/dbraw/zinc/06/52/57/486065257.db2.gz ZXNFXODAKSHYQT-BZSNNMDCSA-N 2 0 330.476 1.553 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000669420240 486139282 /nfs/dbraw/zinc/13/92/82/486139282.db2.gz FXKMBMGPNPJEMH-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c[nH+]cn4c3)cn2)CC1 ZINC000670764859 486154010 /nfs/dbraw/zinc/15/40/10/486154010.db2.gz XUCLNJGNFBHXMZ-UHFFFAOYSA-N 2 0 336.399 1.733 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000570584371 486205203 /nfs/dbraw/zinc/20/52/03/486205203.db2.gz NAVSGWSMGWATEM-LNLFQRSKSA-N 2 0 341.540 1.510 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000668839885 486249021 /nfs/dbraw/zinc/24/90/21/486249021.db2.gz GCPRYOGGHIAGHK-MAUKXSAKSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000669485321 486252134 /nfs/dbraw/zinc/25/21/34/486252134.db2.gz VYFZBQHVBQYURB-LRDDRELGSA-N 2 0 338.427 1.145 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000670443676 486523280 /nfs/dbraw/zinc/52/32/80/486523280.db2.gz GZUIRHMJHZERRP-MHORFTMASA-N 2 0 337.508 1.961 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000131889551 491213965 /nfs/dbraw/zinc/21/39/65/491213965.db2.gz FTOVBYYZJFYIKC-RHSMWYFYSA-N 2 0 339.505 1.556 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178875696 534590237 /nfs/dbraw/zinc/59/02/37/534590237.db2.gz NCLHBNPPIUCPJT-UHFFFAOYSA-N 2 0 344.503 1.705 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000178655630 528135603 /nfs/dbraw/zinc/13/56/03/528135603.db2.gz BPQGTLTZQWDPIS-INIZCTEOSA-N 2 0 346.475 1.696 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCC[NH2+]C2)c1 ZINC000164758750 528135913 /nfs/dbraw/zinc/13/59/13/528135913.db2.gz VPHNUSIBGXRXLQ-INIZCTEOSA-N 2 0 346.475 1.696 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2(OC)CC[NH2+]CC2)cc1 ZINC000163856859 528188579 /nfs/dbraw/zinc/18/85/79/528188579.db2.gz XRHDXLUECQWEEE-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158749527 528288786 /nfs/dbraw/zinc/28/87/86/528288786.db2.gz WPSXWDZOKCHIEF-OALUTQOASA-N 2 0 346.519 1.822 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H](C)c2cccnc2)C1 ZINC000248402620 535110116 /nfs/dbraw/zinc/11/01/16/535110116.db2.gz NKURJRHOPTVFSD-WBVHZDCISA-N 2 0 334.464 1.205 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC000270901322 535196485 /nfs/dbraw/zinc/19/64/85/535196485.db2.gz MNFLCXYALVBFEO-UHFFFAOYSA-N 2 0 344.503 1.776 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000352691095 535215311 /nfs/dbraw/zinc/21/53/11/535215311.db2.gz IRHLXZMAOFIXGP-QRVBRYPASA-N 2 0 339.524 1.528 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000347218439 535431712 /nfs/dbraw/zinc/43/17/12/535431712.db2.gz NYQIWEWPRZPJRT-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000236867560 535539348 /nfs/dbraw/zinc/53/93/48/535539348.db2.gz DBBGYYJEECYRIH-INIZCTEOSA-N 2 0 332.448 1.449 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261631042 535889934 /nfs/dbraw/zinc/88/99/34/535889934.db2.gz BSXMRCSYRZYVAM-DOTOQJQBSA-N 2 0 346.475 1.112 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000261656560 535916779 /nfs/dbraw/zinc/91/67/79/535916779.db2.gz HXGGPSFRPFBWTN-INIZCTEOSA-N 2 0 346.475 1.028 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261626187 536111497 /nfs/dbraw/zinc/11/14/97/536111497.db2.gz CPIXIIRRBBJDET-USXIJHARSA-N 2 0 337.489 1.496 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)CC1 ZINC000262447525 536339568 /nfs/dbraw/zinc/33/95/68/536339568.db2.gz VLYSGOHPIGSGJB-OXJNMPFZSA-N 2 0 348.535 1.441 20 0 EDADRP COC[C@@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000262204827 536672509 /nfs/dbraw/zinc/67/25/09/536672509.db2.gz DJYCDHJSMHIUPJ-QGZVFWFLSA-N 2 0 332.448 1.131 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107835355 536784010 /nfs/dbraw/zinc/78/40/10/536784010.db2.gz QEHXAZRNPNENQN-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000097257368 536786378 /nfs/dbraw/zinc/78/63/78/536786378.db2.gz PNURYVLRGDCGPS-INIZCTEOSA-N 2 0 342.528 1.764 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727075029 578515403 /nfs/dbraw/zinc/51/54/03/578515403.db2.gz WSCMJADJJVKOEH-UHFFFAOYSA-N 2 0 343.585 1.064 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccc3F)cn2)CC1 ZINC000729930966 578602831 /nfs/dbraw/zinc/60/28/31/578602831.db2.gz SQGOHHVQFOBBBU-SFHVURJKSA-N 2 0 344.434 1.796 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)C(C)(C)CO)cc2)CC1 ZINC000736313018 578977114 /nfs/dbraw/zinc/97/71/14/578977114.db2.gz WVHHMXDLZXJYIM-UHFFFAOYSA-N 2 0 348.491 1.470 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC1(C)CCC1 ZINC000746149440 579574092 /nfs/dbraw/zinc/57/40/92/579574092.db2.gz FHGGCLLFRMBLQU-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](CC)CC ZINC000746260367 579582687 /nfs/dbraw/zinc/58/26/87/579582687.db2.gz XCXPKGBXPBFPHA-DLBZAZTESA-N 2 0 325.497 1.866 20 0 EDADRP CCOCCNC(=S)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000751012644 579791329 /nfs/dbraw/zinc/79/13/29/579791329.db2.gz YAIVIDSVYWYBLR-HNNXBMFYSA-N 2 0 330.542 1.245 20 0 EDADRP CC[NH+](CC)CCOC(=O)[C@H]1CC(=O)N(C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000785647655 580648716 /nfs/dbraw/zinc/64/87/16/580648716.db2.gz WDVALFIIJMKUKC-HOTGVXAUSA-N 2 0 339.480 1.204 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@H](O)COC[C@H]3CCCO3)C2)CC1 ZINC000799178068 581021456 /nfs/dbraw/zinc/02/14/56/581021456.db2.gz FUDVBERJGRDSAI-DLBZAZTESA-N 2 0 326.481 1.351 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000891856907 590657037 /nfs/dbraw/zinc/65/70/37/590657037.db2.gz UXDYJZVHVCOGAD-JYJNAYRXSA-N 2 0 326.485 1.304 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)CCC(F)(F)F ZINC000891855745 590657445 /nfs/dbraw/zinc/65/74/45/590657445.db2.gz BBEXECTXTMJJOS-GXTWGEPZSA-N 2 0 336.402 1.512 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(Cc2cnn(C)c2C2CC2)CC1 ZINC000891925445 590691518 /nfs/dbraw/zinc/69/15/18/590691518.db2.gz GFEPYSPGOOLROA-UHFFFAOYSA-N 2 0 333.480 1.284 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1C(F)(F)F ZINC000891944983 590699420 /nfs/dbraw/zinc/69/94/20/590699420.db2.gz QDGHWEKJZPPCSW-SMDDNHRTSA-N 2 0 348.413 1.782 20 0 EDADRP CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000893190112 590702267 /nfs/dbraw/zinc/70/22/67/590702267.db2.gz BDTMQIFCFGIHQX-GOSISDBHSA-N 2 0 344.503 1.821 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000892000174 590736941 /nfs/dbraw/zinc/73/69/41/590736941.db2.gz PTEXCNDAZBOCPL-SJLPKXTDSA-N 2 0 330.476 1.868 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)CN ZINC000892063182 590778877 /nfs/dbraw/zinc/77/88/77/590778877.db2.gz YANQDBXNSIRIIO-HIFRSBDPSA-N 2 0 340.418 1.648 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000892060435 590779023 /nfs/dbraw/zinc/77/90/23/590779023.db2.gz PNCHCIQNRJSOCZ-CRAIPNDOSA-N 2 0 331.464 1.691 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000892089993 590792801 /nfs/dbraw/zinc/79/28/01/590792801.db2.gz WGBFYKZWBSURON-INMHGKMJSA-N 2 0 332.448 1.621 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]CC1 ZINC000892114341 590806471 /nfs/dbraw/zinc/80/64/71/590806471.db2.gz GAZVITNTGRBLNR-CQSZACIVSA-N 2 0 326.485 1.080 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000892155254 590826722 /nfs/dbraw/zinc/82/67/22/590826722.db2.gz XWMPCAQHLDXLSH-CGTJXYLNSA-N 2 0 348.466 1.912 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892157575 590829163 /nfs/dbraw/zinc/82/91/63/590829163.db2.gz ZANNCLPPDDNPBX-CYBMUJFWSA-N 2 0 330.423 1.644 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000890896327 590837996 /nfs/dbraw/zinc/83/79/96/590837996.db2.gz ASFYWHOQSCJNIV-KSZLIROESA-N 2 0 349.523 1.548 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC23CC[NH+](C)CC3)CCSC1 ZINC000893415875 590856112 /nfs/dbraw/zinc/85/61/12/590856112.db2.gz HGCNZSLZCVZHHD-MRXNPFEDSA-N 2 0 326.510 1.303 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)C2CC3CC(C2)CC1C3 ZINC000892191779 590857575 /nfs/dbraw/zinc/85/75/75/590857575.db2.gz RRZCNGAPTBJCES-IFZNXGNFSA-N 2 0 332.492 1.724 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000892234943 590879607 /nfs/dbraw/zinc/87/96/07/590879607.db2.gz AJLMWCZNRDNNTE-MELADBBJSA-N 2 0 330.423 1.547 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892252611 590888241 /nfs/dbraw/zinc/88/82/41/590888241.db2.gz IWALNWMWODQQIV-BRSBDYLESA-N 2 0 328.460 1.668 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000892267127 590899751 /nfs/dbraw/zinc/89/97/51/590899751.db2.gz RVDCBXGNPNMEBU-HOCLYGCPSA-N 2 0 329.448 1.444 20 0 EDADRP Cc1[nH+]ccc(NC[C@H](C)N2CC[NH+](C)CC2)c1Br ZINC000892282629 590911646 /nfs/dbraw/zinc/91/16/46/590911646.db2.gz WDWOBKKPJDFDTB-NSHDSACASA-N 2 0 327.270 1.622 20 0 EDADRP C[NH+](C)[C@@H](CNc1ccnc(NC[C@@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000892346149 590975093 /nfs/dbraw/zinc/97/50/93/590975093.db2.gz WHGTZPISGKJHRA-HOTGVXAUSA-N 2 0 332.496 1.981 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCC[C@@H]([NH3+])Cc3ccccc3)C2)C1 ZINC000892407698 591015268 /nfs/dbraw/zinc/01/52/68/591015268.db2.gz CRAHPMMEGCRDEY-MJGOQNOKSA-N 2 0 330.476 1.684 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000892456382 591033564 /nfs/dbraw/zinc/03/35/64/591033564.db2.gz ZVEUNXHYZLIXSE-SYJFRIGUSA-N 2 0 336.480 1.280 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000891321750 591045901 /nfs/dbraw/zinc/04/59/01/591045901.db2.gz BJERAXBLCOTYGM-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495720 591049239 /nfs/dbraw/zinc/04/92/39/591049239.db2.gz SIDNYGUAZOOODS-HNNXBMFYSA-N 2 0 340.512 1.299 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000891348876 591054193 /nfs/dbraw/zinc/05/41/93/591054193.db2.gz QUZPAOVDUREHCD-PKOBYXMFSA-N 2 0 328.460 1.296 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH2+]CCC12CCC2 ZINC000891350091 591054396 /nfs/dbraw/zinc/05/43/96/591054396.db2.gz ZKKWOFDRACWILC-UHFFFAOYSA-N 2 0 342.487 1.972 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891388643 591066079 /nfs/dbraw/zinc/06/60/79/591066079.db2.gz RKWYASODJGBQDR-HDICACEKSA-N 2 0 346.450 1.936 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)COC(C)=O)CC1 ZINC000892597795 591087816 /nfs/dbraw/zinc/08/78/16/591087816.db2.gz VIKATNMQFHDMJK-INIZCTEOSA-N 2 0 333.476 1.865 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000891485497 591089251 /nfs/dbraw/zinc/08/92/51/591089251.db2.gz OZBPQOMLGDDKOV-HNNXBMFYSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000893867906 591120803 /nfs/dbraw/zinc/12/08/03/591120803.db2.gz UHYIIYAKUPWWJH-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000891575152 591134614 /nfs/dbraw/zinc/13/46/14/591134614.db2.gz JRODWOVMYQJMGG-OAHLLOKOSA-N 2 0 338.496 1.400 20 0 EDADRP F[C@H]1CC2(CC[C@H]1[NH+]1CCC(C[NH+]3CCOCC3)CC1)OCCO2 ZINC000891610711 591148257 /nfs/dbraw/zinc/14/82/57/591148257.db2.gz CJWWMSGPDSODHD-DLBZAZTESA-N 2 0 342.455 1.664 20 0 EDADRP CC1(C)OC[C@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000892758404 591162561 /nfs/dbraw/zinc/16/25/61/591162561.db2.gz OHKUOOHHKQAIPR-KRWDZBQOSA-N 2 0 334.464 1.335 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000891644936 591165453 /nfs/dbraw/zinc/16/54/53/591165453.db2.gz BTTDQDXYGFCMJM-RVMXOQNASA-N 2 0 336.402 1.638 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776058 591171462 /nfs/dbraw/zinc/17/14/62/591171462.db2.gz LXWCNLHDVPIKFU-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776059 591171491 /nfs/dbraw/zinc/17/14/91/591171491.db2.gz LXWCNLHDVPIKFU-JKSUJKDBSA-N 2 0 338.496 1.128 20 0 EDADRP CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892776450 591171797 /nfs/dbraw/zinc/17/17/97/591171797.db2.gz OBFCOTPPIRLKII-HOTGVXAUSA-N 2 0 336.480 1.023 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892781686 591173846 /nfs/dbraw/zinc/17/38/46/591173846.db2.gz ZSQNXXVVOKNEDU-JKSUJKDBSA-N 2 0 338.496 1.127 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892786339 591176776 /nfs/dbraw/zinc/17/67/76/591176776.db2.gz UNJBFARBKLJPGO-AZUAARDMSA-N 2 0 342.487 1.876 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673463 591180097 /nfs/dbraw/zinc/18/00/97/591180097.db2.gz NILWKYKIQYHYQO-GFCCVEGCSA-N 2 0 337.493 1.544 20 0 EDADRP COC1CCC(C[NH2+]CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000892794827 591182521 /nfs/dbraw/zinc/18/25/21/591182521.db2.gz WZUNDNITARNSTF-JCYILVPMSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804169 591183301 /nfs/dbraw/zinc/18/33/01/591183301.db2.gz AHSFTBRCHTWRGM-ROUUACIJSA-N 2 0 330.476 1.827 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H]1c1ccccc1 ZINC000891722496 591198749 /nfs/dbraw/zinc/19/87/49/591198749.db2.gz CWFPPZVODUCLKU-LSTDLKDCSA-N 2 0 328.460 1.683 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892879799 591214894 /nfs/dbraw/zinc/21/48/94/591214894.db2.gz TWMQHDHXOPJOBR-GFCCVEGCSA-N 2 0 337.493 1.496 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000895666855 591247710 /nfs/dbraw/zinc/24/77/10/591247710.db2.gz STOQJBSRKXHVJX-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000893010883 591254951 /nfs/dbraw/zinc/25/49/51/591254951.db2.gz JOQIPRQORKAPBU-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CC[C@H]1CNc1nc2ncccc2nc1NC[C@H]1CC[N@H+]1C ZINC000895771099 591269434 /nfs/dbraw/zinc/26/94/34/591269434.db2.gz GNOZRRNGJOTGMQ-OLZOCXBDSA-N 2 0 327.436 1.257 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000895830134 591284114 /nfs/dbraw/zinc/28/41/14/591284114.db2.gz UWCVSEJGTKTFOQ-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP COC(=O)[C@H]1[C@H](CNc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(F)F ZINC000894366003 591290973 /nfs/dbraw/zinc/29/09/73/591290973.db2.gz IXBMLAFCTHIECD-SMDDNHRTSA-N 2 0 340.374 1.300 20 0 EDADRP CC(C)CC[NH+]1CCC([NH2+]C2CCC3(CC2)NC(=O)NC3=O)CC1 ZINC000894430618 591310480 /nfs/dbraw/zinc/31/04/80/591310480.db2.gz ZYSZOLRXWLKRDL-UHFFFAOYSA-N 2 0 336.480 1.607 20 0 EDADRP CN(Cc1c2c(nn1C)CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894460095 591318574 /nfs/dbraw/zinc/31/85/74/591318574.db2.gz SIVPTYRIWXVIQF-INIZCTEOSA-N 2 0 331.508 1.509 20 0 EDADRP CN(CCC[N@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2)CC[NH+](C)C ZINC000894523779 591332874 /nfs/dbraw/zinc/33/28/74/591332874.db2.gz NBXHHLIOSQNMRC-JKSUJKDBSA-N 2 0 331.476 1.435 20 0 EDADRP CO[C@@H]1CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000894854257 591444652 /nfs/dbraw/zinc/44/46/52/591444652.db2.gz FBWXCXLUGLUVOR-DLBZAZTESA-N 2 0 325.497 1.916 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000897497863 591500849 /nfs/dbraw/zinc/50/08/49/591500849.db2.gz DCYMLZXUWYVMGS-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000897514839 591515026 /nfs/dbraw/zinc/51/50/26/591515026.db2.gz AITRKUDRWPNABK-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP CC1(C)COC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000895013019 591522592 /nfs/dbraw/zinc/52/25/92/591522592.db2.gz VXUYASSYRUZVPU-GOSISDBHSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)C3C[NH+](C4CCOCC4)C3)n2)CC1 ZINC000897594866 591573731 /nfs/dbraw/zinc/57/37/31/591573731.db2.gz WESQNFQVCZHONX-UHFFFAOYSA-N 2 0 347.463 1.199 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(F)cc1 ZINC000897765747 591649194 /nfs/dbraw/zinc/64/91/94/591649194.db2.gz KXAMNSNBLRUIAT-GOSISDBHSA-N 2 0 349.450 1.655 20 0 EDADRP CN(C(=O)c1c[nH]cc2ncnc1-2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000896989325 591706302 /nfs/dbraw/zinc/70/63/02/591706302.db2.gz RJNPOUVDHNMTLL-CQSZACIVSA-N 2 0 342.447 1.198 20 0 EDADRP Cc1nc(C)c(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000899157025 591711269 /nfs/dbraw/zinc/71/12/69/591711269.db2.gz AUYLHELSQWEWNR-HUUCEWRRSA-N 2 0 338.521 1.500 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000899184070 591724016 /nfs/dbraw/zinc/72/40/16/591724016.db2.gz RABQRTWEQBSAMZ-GOSISDBHSA-N 2 0 337.508 1.534 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)c2c1OC(F)(F)O2 ZINC000895404399 591751631 /nfs/dbraw/zinc/75/16/31/591751631.db2.gz FKWKZDDNLLQGJY-CHWSQXEVSA-N 2 0 344.358 1.309 20 0 EDADRP C[C@H](O)C1([NH2+]C2CCN(CCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000895441619 591759271 /nfs/dbraw/zinc/75/92/71/591759271.db2.gz CDXZEABJKKPXGW-ZDUSSCGKSA-N 2 0 327.469 1.479 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000895460993 591766063 /nfs/dbraw/zinc/76/60/63/591766063.db2.gz JIYNJMGYGMLLCK-MOPGFXCFSA-N 2 0 345.487 1.689 20 0 EDADRP COC(=O)C[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000898297588 591862378 /nfs/dbraw/zinc/86/23/78/591862378.db2.gz QGFGFACVMKPKJL-GOSISDBHSA-N 2 0 348.487 1.986 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000900018178 591869558 /nfs/dbraw/zinc/86/95/58/591869558.db2.gz BQGDMTJNCBOPIJ-LJQANCHMSA-N 2 0 346.519 1.822 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC000900176857 591939530 /nfs/dbraw/zinc/93/95/30/591939530.db2.gz UCNWUUTYYOJBDV-UHFFFAOYSA-N 2 0 342.487 1.411 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000902345907 591978141 /nfs/dbraw/zinc/97/81/41/591978141.db2.gz NGFRFQJRPMTVOK-AWEZNQCLSA-N 2 0 340.489 1.837 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899911676 591979755 /nfs/dbraw/zinc/97/97/55/591979755.db2.gz WHUKJJMQDSGYLJ-QGZVFWFLSA-N 2 0 334.460 1.743 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902352324 591984896 /nfs/dbraw/zinc/98/48/96/591984896.db2.gz KTEBQJDTGAFOAD-OAHLLOKOSA-N 2 0 339.505 1.641 20 0 EDADRP Cn1ccnc(N2CCC[C@H]([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)C2)c1=O ZINC000902384830 591989475 /nfs/dbraw/zinc/98/94/75/591989475.db2.gz VKULUWMLEOHNTB-CABCVRRESA-N 2 0 333.480 1.117 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522780 592010354 /nfs/dbraw/zinc/01/03/54/592010354.db2.gz XWGJFMIMZFQZEN-WOPDTQHZSA-N 2 0 325.844 1.392 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1 ZINC000902521428 592010501 /nfs/dbraw/zinc/01/05/01/592010501.db2.gz SQCGXELZRJJAOY-RYUDHWBXSA-N 2 0 339.871 1.782 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000900539102 592051352 /nfs/dbraw/zinc/05/13/52/592051352.db2.gz BHFVVTQNWXGVMM-INIZCTEOSA-N 2 0 333.480 1.535 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCCC[C@@H]2C[NH+](C)C)CC1 ZINC000900564362 592053646 /nfs/dbraw/zinc/05/36/46/592053646.db2.gz UMCXOCPVZANMJQ-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP C[NH+](C)CCN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900660899 592084183 /nfs/dbraw/zinc/08/41/83/592084183.db2.gz XOOWGXGJMDHLJS-SFHVURJKSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@H]([NH2+]C1CCN(CCO)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903136643 592125831 /nfs/dbraw/zinc/12/58/31/592125831.db2.gz FIYGFNLMVVQMLN-ZDUSSCGKSA-N 2 0 327.469 1.479 20 0 EDADRP C[C@@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+](C)CCN1C ZINC000900811679 592133500 /nfs/dbraw/zinc/13/35/00/592133500.db2.gz MYEOLTBHGSVPLA-VQIMIIECSA-N 2 0 344.503 1.185 20 0 EDADRP CN(C)c1cc[nH+]c(CNC2CC[NH+](CCN3CCOCC3)CC2)c1 ZINC000903202109 592134862 /nfs/dbraw/zinc/13/48/62/592134862.db2.gz WUFPNATYHSJULT-UHFFFAOYSA-N 2 0 347.507 1.034 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000903191173 592136460 /nfs/dbraw/zinc/13/64/60/592136460.db2.gz PAYLQMOYOJQXJW-GJZGRUSLSA-N 2 0 345.553 1.947 20 0 EDADRP c1cnc([C@H](NC2CC[NH+](CCN3CCOCC3)CC2)C2CC2)nc1 ZINC000903333176 592155324 /nfs/dbraw/zinc/15/53/24/592155324.db2.gz QJJQURPLXFSSDB-GOSISDBHSA-N 2 0 345.491 1.314 20 0 EDADRP CN(CCOCCN1C(=O)c2ccccc2C1=O)C1(C[NH3+])CCC1 ZINC000903453602 592173533 /nfs/dbraw/zinc/17/35/33/592173533.db2.gz DGQKZCXRLYWXAW-UHFFFAOYSA-N 2 0 331.416 1.112 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1cc(C)cc(C)c1)C2 ZINC000903491029 592184640 /nfs/dbraw/zinc/18/46/40/592184640.db2.gz RTCLXBMBKKFHOW-KHYOSLBOSA-N 2 0 345.443 1.454 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900959094 592185045 /nfs/dbraw/zinc/18/50/45/592185045.db2.gz UVXNGVOONPFXHJ-GPQLOAJWSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510918 592190451 /nfs/dbraw/zinc/19/04/51/592190451.db2.gz UNNJJAYGGRYUIV-NXHRZFHOSA-N 2 0 336.524 1.438 20 0 EDADRP COC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)s1 ZINC000903507132 592198742 /nfs/dbraw/zinc/19/87/42/592198742.db2.gz OIVZHEMGSNWXBU-GASCZTMLSA-N 2 0 349.500 1.935 20 0 EDADRP CCOC1CC(C[NH2+]C[C@]2(C)CCC[NH2+]C2)(N2CCOCC2)C1 ZINC000904369567 592240191 /nfs/dbraw/zinc/24/01/91/592240191.db2.gz YKBOPLITMYNAIG-LXPRWKDFSA-N 2 0 325.497 1.236 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)[NH+](C)C ZINC000907973726 592243539 /nfs/dbraw/zinc/24/35/39/592243539.db2.gz NWMNUAIDNIGZGP-SOUVJXGZSA-N 2 0 342.528 1.314 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000906664615 592246714 /nfs/dbraw/zinc/24/67/14/592246714.db2.gz NCLSBXLHBMRMLG-INIZCTEOSA-N 2 0 344.459 1.561 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906666134 592247713 /nfs/dbraw/zinc/24/77/13/592247713.db2.gz MEFWJTRABFUCEF-UHFFFAOYSA-N 2 0 334.464 1.664 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906669678 592251602 /nfs/dbraw/zinc/25/16/02/592251602.db2.gz JCTOROPNJDVVIR-CYBMUJFWSA-N 2 0 334.464 1.664 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[C@]43C[NH3+])n2)CC1 ZINC000904458298 592266094 /nfs/dbraw/zinc/26/60/94/592266094.db2.gz WPVWLWGBKSZOEU-GUYCJALGSA-N 2 0 332.452 1.495 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC[C@H]21 ZINC000906658498 592268074 /nfs/dbraw/zinc/26/80/74/592268074.db2.gz INPAGLCYBJBJTP-GDBMZVCRSA-N 2 0 330.432 1.027 20 0 EDADRP O=C(CC1CCCC1)N1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725018 592283535 /nfs/dbraw/zinc/28/35/35/592283535.db2.gz UWMABMWPZOGNBN-QUCCMNQESA-N 2 0 349.519 1.870 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)CC1 ZINC000906696419 592294379 /nfs/dbraw/zinc/29/43/79/592294379.db2.gz FGFKKKHDEIXLKS-UHFFFAOYSA-N 2 0 344.459 1.465 20 0 EDADRP c1cc(-c2nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no2)nc2c1CC[NH2+]C2 ZINC000904645880 592303514 /nfs/dbraw/zinc/30/35/14/592303514.db2.gz DVZRYOYZISPWHY-STQMWFEESA-N 2 0 338.415 1.633 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767049 592309908 /nfs/dbraw/zinc/30/99/08/592309908.db2.gz SODKXNKEMUPLAV-IAGOWNOFSA-N 2 0 325.497 1.188 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1C ZINC000908107409 592323312 /nfs/dbraw/zinc/32/33/12/592323312.db2.gz QPXGWBICPOSUGW-GOEBONIOSA-N 2 0 331.464 1.015 20 0 EDADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(Cc1ccccc1)C[C@H]1CC[NH2+]C1 ZINC000903796574 592325411 /nfs/dbraw/zinc/32/54/11/592325411.db2.gz XGTZWOMPMXJZMR-OTWHNJEPSA-N 2 0 345.487 1.639 20 0 EDADRP FC(F)(F)c1ccnc([C@H]2CC[N@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000903825904 592335590 /nfs/dbraw/zinc/33/55/90/592335590.db2.gz DORCEWPZUHPIFS-RYUDHWBXSA-N 2 0 342.365 1.663 20 0 EDADRP C(C1CCOCC1)[C@H]1COCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849609 592344737 /nfs/dbraw/zinc/34/47/37/592344737.db2.gz DZTIEFSUDQIQST-ROUUACIJSA-N 2 0 338.492 1.663 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC([NH+]3CCCCC3)CC2)cnn1C ZINC000903878389 592359128 /nfs/dbraw/zinc/35/91/28/592359128.db2.gz HZYQZYYQZIGRRC-QGZVFWFLSA-N 2 0 333.524 1.796 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cnn1C ZINC000903886581 592364501 /nfs/dbraw/zinc/36/45/01/592364501.db2.gz QVBABAGTHZSSBR-SFHVURJKSA-N 3 0 335.540 1.898 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)cnn1C ZINC000903893252 592365569 /nfs/dbraw/zinc/36/55/69/592365569.db2.gz TVEZNVFTPWFANT-IRXDYDNUSA-N 2 0 347.507 1.180 20 0 EDADRP CC1CCC([NH+]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000903893247 592365780 /nfs/dbraw/zinc/36/57/80/592365780.db2.gz SVJLAGXDWDFCND-DAWZGUTISA-N 2 0 346.523 1.899 20 0 EDADRP COc1ccc([C@@H](CO)[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893061 592365856 /nfs/dbraw/zinc/36/58/56/592365856.db2.gz PLVXLVFLWLYZIO-DNVCBOLYSA-N 2 0 346.475 1.520 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)Cc2ccc(C)cc2)cnn1C ZINC000903902604 592371602 /nfs/dbraw/zinc/37/16/02/592371602.db2.gz KHYQPMOCWPLLIS-SFHVURJKSA-N 2 0 330.476 1.649 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)cnn1C ZINC000903908741 592374038 /nfs/dbraw/zinc/37/40/38/592374038.db2.gz PBSPICDEKZJPNA-MAUKXSAKSA-N 2 0 329.448 1.394 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922719 592378136 /nfs/dbraw/zinc/37/81/36/592378136.db2.gz COQSOOPHOKYNTF-KBPBESRZSA-N 2 0 343.418 1.850 20 0 EDADRP COCCOc1ccc(C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903922558 592378174 /nfs/dbraw/zinc/37/81/74/592378174.db2.gz ZKSHOJCKSRHATP-INIZCTEOSA-N 2 0 345.447 1.518 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN(CCC[NH3+])c2cccc(F)c2)cnn1C ZINC000903921823 592378381 /nfs/dbraw/zinc/37/83/81/592378381.db2.gz RCKCOMDSSXTSRU-HNNXBMFYSA-N 2 0 333.455 1.840 20 0 EDADRP CN1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1nc(C2CC2)no1 ZINC000903925879 592380031 /nfs/dbraw/zinc/38/00/31/592380031.db2.gz INBGKLPRTPVTRZ-YPAMNDHTSA-N 2 0 331.464 1.766 20 0 EDADRP CC(C)[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C1(CO)CCCC1 ZINC000903927803 592380931 /nfs/dbraw/zinc/38/09/31/592380931.db2.gz UDHLUITWVUXEHD-DOTOQJQBSA-N 2 0 335.496 1.870 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932391 592384558 /nfs/dbraw/zinc/38/45/58/592384558.db2.gz QJTLQUCJUZMQLS-UKBAYJJMSA-N 3 0 349.523 1.064 20 0 EDADRP CN(c1ccccc1)[C@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903933815 592385066 /nfs/dbraw/zinc/38/50/66/592385066.db2.gz VZVQKLZVCNXNCH-ROUUACIJSA-N 2 0 340.475 1.913 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903974133 592397210 /nfs/dbraw/zinc/39/72/10/592397210.db2.gz JSKBYBWXHCAGMP-CZUORRHYSA-N 2 0 336.480 1.787 20 0 EDADRP Cc1cccc2ncc(C(=O)NCCN3CCC([NH+](C)C)CC3)n21 ZINC000906905570 592397212 /nfs/dbraw/zinc/39/72/12/592397212.db2.gz ACCBZYLIXCBQMT-UHFFFAOYSA-N 2 0 329.448 1.399 20 0 EDADRP C[NH2+][C@@H](CC(C)C)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000904111993 592429100 /nfs/dbraw/zinc/42/91/00/592429100.db2.gz PMWMETREZHVOFD-AWEZNQCLSA-N 2 0 337.468 1.471 20 0 EDADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(F)F ZINC000905143810 592435452 /nfs/dbraw/zinc/43/54/52/592435452.db2.gz CQOLBDXAPGXYBU-QGZVFWFLSA-N 2 0 328.403 1.749 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)CC1(O)CCCC1 ZINC000905175100 592454728 /nfs/dbraw/zinc/45/47/28/592454728.db2.gz MQEQRZBUYJKMFP-YESZJQIVSA-N 2 0 326.481 1.010 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC1(O)CCCC1 ZINC000905176446 592455597 /nfs/dbraw/zinc/45/55/97/592455597.db2.gz ROVCPRVECNIXFS-BZSNNMDCSA-N 2 0 340.508 1.400 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905399973 592520893 /nfs/dbraw/zinc/52/08/93/592520893.db2.gz ORJLWJOZWBALRK-MDNKFWRPSA-N 2 0 348.487 1.247 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000905503042 592546062 /nfs/dbraw/zinc/54/60/62/592546062.db2.gz MUEXGYNFVXPWHT-ZSXDVEMLSA-N 2 0 336.451 1.928 20 0 EDADRP CCn1c([C@H]2CN(C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831710 592636298 /nfs/dbraw/zinc/63/62/98/592636298.db2.gz VYENWTIUUFLXGX-BASYENTBSA-N 2 0 348.495 1.078 20 0 EDADRP CC(C)[NH2+]Cc1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000905787481 592649355 /nfs/dbraw/zinc/64/93/55/592649355.db2.gz LOPJRJPVZPYQOA-KRWDZBQOSA-N 2 0 344.463 1.195 20 0 EDADRP CCCn1ccnc1CCCN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907740448 592766907 /nfs/dbraw/zinc/76/69/07/592766907.db2.gz KLAXGGRBMGBUJB-SFHVURJKSA-N 2 0 336.480 1.531 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000907849793 592814086 /nfs/dbraw/zinc/81/40/86/592814086.db2.gz AEKCKSTUUIOCAB-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1CN(C)CC[N@H+](C)C1)c1ccccc1 ZINC000906556972 592844062 /nfs/dbraw/zinc/84/40/62/592844062.db2.gz RZSHVWALFMMEOX-MRXNPFEDSA-N 2 0 346.519 1.725 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+]1CCCC1 ZINC000906645785 592865721 /nfs/dbraw/zinc/86/57/21/592865721.db2.gz NSYHEFZUUZTSPY-ZDUSSCGKSA-N 2 0 332.448 1.419 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C(C)C ZINC000910999587 592909406 /nfs/dbraw/zinc/90/94/06/592909406.db2.gz MTVKZIQHJOCMSB-MAUKXSAKSA-N 2 0 340.512 1.070 20 0 EDADRP [NH3+][C@H](CC(=O)N[C@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000911674251 592978791 /nfs/dbraw/zinc/97/87/91/592978791.db2.gz RMAJAZYILJIPBT-KBPBESRZSA-N 2 0 340.265 1.577 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000911720905 592988149 /nfs/dbraw/zinc/98/81/49/592988149.db2.gz KDIVOWXFZORXKS-VGMNTSGFSA-N 2 0 331.460 1.980 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)c2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000911761047 593006565 /nfs/dbraw/zinc/00/65/65/593006565.db2.gz JGKKXGDVNLFKQQ-UHFFFAOYSA-N 2 0 327.384 1.758 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000911884480 593030654 /nfs/dbraw/zinc/03/06/54/593030654.db2.gz QLZIKYOVQGBESZ-CRAIPNDOSA-N 2 0 349.475 1.134 20 0 EDADRP C[NH+]1CCC(N(CCO)C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000911941445 593036839 /nfs/dbraw/zinc/03/68/39/593036839.db2.gz AGFFMURGDXCZAM-KRWDZBQOSA-N 2 0 329.460 1.114 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000912590273 593106857 /nfs/dbraw/zinc/10/68/57/593106857.db2.gz TYKDUVGZIAZTOM-UHFFFAOYSA-N 2 0 325.497 1.317 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000839602995 593348053 /nfs/dbraw/zinc/34/80/53/593348053.db2.gz WBEBARVZSKXTGE-PMACEKPBSA-N 2 0 347.503 1.935 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985394 593373912 /nfs/dbraw/zinc/37/39/12/593373912.db2.gz KYOPVXOFHZFWOU-OAHLLOKOSA-N 2 0 341.496 1.821 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038990 593659922 /nfs/dbraw/zinc/65/99/22/593659922.db2.gz NUBMJPJOFHFSGN-DAYGRLMNSA-N 2 0 341.471 1.521 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000818637834 593709710 /nfs/dbraw/zinc/70/97/10/593709710.db2.gz KLIGRYWPVGVQGK-CQSZACIVSA-N 2 0 332.448 1.383 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819034699 593734850 /nfs/dbraw/zinc/73/48/50/593734850.db2.gz QCQWGMMBBMOAPW-BLLLJJGKSA-N 2 0 329.847 1.738 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@H+](C)CC1 ZINC000819219673 593744864 /nfs/dbraw/zinc/74/48/64/593744864.db2.gz FOMQTYPJPLSKLG-DYVFJYSZSA-N 2 0 338.473 1.364 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821625615 593887202 /nfs/dbraw/zinc/88/72/02/593887202.db2.gz RXDJHCJJWDDXQA-UHFFFAOYSA-N 2 0 335.481 1.045 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2CCCO)C1 ZINC000820809701 593894954 /nfs/dbraw/zinc/89/49/54/593894954.db2.gz GUOBZNTUYKJEJA-GVDBMIGSSA-N 2 0 325.497 1.495 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824414212 594006471 /nfs/dbraw/zinc/00/64/71/594006471.db2.gz XNRAWAKGRVZVBN-KBPBESRZSA-N 2 0 329.452 1.153 20 0 EDADRP CNc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1F ZINC000825147838 594136521 /nfs/dbraw/zinc/13/65/21/594136521.db2.gz QSEIINODCYQLKY-HUUCEWRRSA-N 2 0 336.455 1.679 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000827924737 594304279 /nfs/dbraw/zinc/30/42/79/594304279.db2.gz JDNJUWHMJLYSHX-INIZCTEOSA-N 2 0 325.453 1.778 20 0 EDADRP CN(CCN1CCN(c2ccccc2)CC1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000830148470 594345554 /nfs/dbraw/zinc/34/55/54/594345554.db2.gz YMUZOGDERZTULS-GOSISDBHSA-N 2 0 330.476 1.394 20 0 EDADRP CN(CCN1CCN(c2ccccc2)CC1)C(=O)CCCCC[NH3+] ZINC000830148360 594345860 /nfs/dbraw/zinc/34/58/60/594345860.db2.gz SLSPBDNDBNKHFN-UHFFFAOYSA-N 2 0 332.492 1.786 20 0 EDADRP [NH3+][C@H](CC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000829302937 594594803 /nfs/dbraw/zinc/59/48/03/594594803.db2.gz OCAVZTJMOFHOFL-GOSISDBHSA-N 2 0 331.460 1.905 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000826903791 594598656 /nfs/dbraw/zinc/59/86/56/594598656.db2.gz URPRPXOONVUAGI-INIZCTEOSA-N 2 0 327.513 1.781 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[C@@H]([NH3+])C3CC3)CC2)c1 ZINC000826934383 594605190 /nfs/dbraw/zinc/60/51/90/594605190.db2.gz JBRJTCWODHEOBJ-LJQANCHMSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC[NH2+]1 ZINC000841098628 594850787 /nfs/dbraw/zinc/85/07/87/594850787.db2.gz YQNYYQRIIVLTKD-DGCLKSJQSA-N 2 0 339.452 1.229 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790451 594953465 /nfs/dbraw/zinc/95/34/65/594953465.db2.gz WPEPKFOCMUCGIM-DLBZAZTESA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790454 594953471 /nfs/dbraw/zinc/95/34/71/594953471.db2.gz WPEPKFOCMUCGIM-SJORKVTESA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841791219 594953727 /nfs/dbraw/zinc/95/37/27/594953727.db2.gz PPELQSAGFVOTMX-ROUUACIJSA-N 2 0 346.475 1.063 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCC[NH2+]1 ZINC000841847148 594964155 /nfs/dbraw/zinc/96/41/55/594964155.db2.gz RDCGMBMZLCSGJK-MAUKXSAKSA-N 2 0 331.416 1.676 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841846886 594964363 /nfs/dbraw/zinc/96/43/63/594964363.db2.gz NBVVHARUYDMNID-YCPHGPKFSA-N 2 0 345.443 1.922 20 0 EDADRP O=C(C[NH2+]CC1CC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841846964 594964396 /nfs/dbraw/zinc/96/43/96/594964396.db2.gz DZYVJGFRWLOGSM-UHFFFAOYSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCO1 ZINC000841850063 594965100 /nfs/dbraw/zinc/96/51/00/594965100.db2.gz WHDNACSULTVLLK-SJORKVTESA-N 2 0 340.512 1.790 20 0 EDADRP COC[C@]1(CNC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)CCC[NH2+]1 ZINC000841850919 594965290 /nfs/dbraw/zinc/96/52/90/594965290.db2.gz IVBLXBWIMQEMIF-CZUORRHYSA-N 2 0 340.855 1.318 20 0 EDADRP C[NH2+]CCCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000843206469 595034535 /nfs/dbraw/zinc/03/45/35/595034535.db2.gz YCULJZQKEUVATO-UHFFFAOYSA-N 2 0 330.436 1.426 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842244084 595052350 /nfs/dbraw/zinc/05/23/50/595052350.db2.gz GOCITCDNTZFDSJ-KRWDZBQOSA-N 2 0 348.491 1.196 20 0 EDADRP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364409 595088607 /nfs/dbraw/zinc/08/86/07/595088607.db2.gz IAOYPFNOCBLAKI-YPMHNXCESA-N 2 0 329.400 1.921 20 0 EDADRP C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843494069 595130027 /nfs/dbraw/zinc/13/00/27/595130027.db2.gz IFWIYPCRSVDKRG-WDSOQIARSA-N 2 0 345.487 1.782 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834768160 595207149 /nfs/dbraw/zinc/20/71/49/595207149.db2.gz PXXHFPVHJWWMRL-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1)[C@H]1CCC[NH2+]1 ZINC000843057060 595276483 /nfs/dbraw/zinc/27/64/83/595276483.db2.gz FWUVIICZEJKYSK-QFBILLFUSA-N 2 0 343.471 1.797 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000844169981 595290442 /nfs/dbraw/zinc/29/04/42/595290442.db2.gz DNUVFGINLIRVAX-MSOLQXFVSA-N 2 0 331.460 1.489 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000844172434 595290890 /nfs/dbraw/zinc/29/08/90/595290890.db2.gz XWEUUPMIIAIQGP-RYRKJORJSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844178479 595293542 /nfs/dbraw/zinc/29/35/42/595293542.db2.gz WVMYUBRRMJOMKZ-SQNIBIBYSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000844187229 595296381 /nfs/dbraw/zinc/29/63/81/595296381.db2.gz HCRQNAGXBPFMRI-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000844189954 595297810 /nfs/dbraw/zinc/29/78/10/595297810.db2.gz YCTMFIAOAANEAY-HZPDHXFCSA-N 2 0 339.867 1.828 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000846674333 595298505 /nfs/dbraw/zinc/29/85/05/595298505.db2.gz MMCGYTIFIFGDOT-KRWDZBQOSA-N 3 0 333.480 1.046 20 0 EDADRP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)CC[C@@H]1NC(=O)OC(C)(C)C ZINC000846836330 595323788 /nfs/dbraw/zinc/32/37/88/595323788.db2.gz PFZZRXGIRZPJRM-PMPSAXMXSA-N 2 0 343.512 1.924 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000847311527 595393722 /nfs/dbraw/zinc/39/37/22/595393722.db2.gz GNQAQLZAEKRCEG-NCOADZHNSA-N 2 0 336.480 1.166 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnc(Cl)n1C)C(=O)NCC[NH+](C)C ZINC000848543863 595404149 /nfs/dbraw/zinc/40/41/49/595404149.db2.gz HYBWQWZCXIPCNV-ZDUSSCGKSA-N 2 0 329.876 1.256 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000847406173 595412695 /nfs/dbraw/zinc/41/26/95/595412695.db2.gz BKESPEGAQXDYJQ-CEXWTWQISA-N 2 0 343.471 1.488 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCn3ccnc32)[C@H](Cc2ccccc2)C1 ZINC000845226910 595464592 /nfs/dbraw/zinc/46/45/92/595464592.db2.gz WSKZAOVANJJVHQ-IAGOWNOFSA-N 2 0 339.443 1.896 20 0 EDADRP NC(=O)C1CC[NH+](CCCCNC(=[NH2+])NCCc2ccccc2)CC1 ZINC000849059948 595476680 /nfs/dbraw/zinc/47/66/80/595476680.db2.gz ZGQPSRLTLOGFDO-UHFFFAOYSA-N 2 0 345.491 1.321 20 0 EDADRP C[N@H+](CCNC(=[NH2+])N1CCN(c2ncccn2)CC1)C1CCCCC1 ZINC000849058533 595476735 /nfs/dbraw/zinc/47/67/35/595476735.db2.gz INVXAWPGZVIPTD-UHFFFAOYSA-N 2 0 345.495 1.387 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849101942 595482338 /nfs/dbraw/zinc/48/23/38/595482338.db2.gz AUTACCLZGPGZDJ-OAHLLOKOSA-N 3 0 339.528 1.474 20 0 EDADRP CNC(=O)C(C)(C)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849110894 595483616 /nfs/dbraw/zinc/48/36/16/595483616.db2.gz OXCBEQIOQGXBMW-UHFFFAOYSA-N 2 0 345.491 1.537 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849488474 595549234 /nfs/dbraw/zinc/54/92/34/595549234.db2.gz OQWJPDNAFARXRL-QZTJIDSGSA-N 2 0 347.507 1.446 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495930 595550911 /nfs/dbraw/zinc/55/09/11/595550911.db2.gz GXQHVZKTDQSJOE-DJIMGWMZSA-N 2 0 335.496 1.300 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503998 595553282 /nfs/dbraw/zinc/55/32/82/595553282.db2.gz AQIIJQCIQUEMDT-RYQLBKOJSA-N 2 0 347.507 1.302 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849521665 595558451 /nfs/dbraw/zinc/55/84/51/595558451.db2.gz USWLBGAOKIWAKP-SJORKVTESA-N 2 0 333.480 1.010 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849541571 595560852 /nfs/dbraw/zinc/56/08/52/595560852.db2.gz PFQAHBOPPCVEIJ-DJIMGWMZSA-N 2 0 335.496 1.302 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000849557271 595566159 /nfs/dbraw/zinc/56/61/59/595566159.db2.gz FZISBBFVWJVBFH-ZJPYXAASSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000849559315 595567108 /nfs/dbraw/zinc/56/71/08/595567108.db2.gz TUNRUQRJUWSXMR-SIUPPRGNSA-N 2 0 345.491 1.197 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574114 595576440 /nfs/dbraw/zinc/57/64/40/595576440.db2.gz WHJJZTFTBFBNDC-JKSUJKDBSA-N 2 0 333.480 1.008 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)=NO1 ZINC000852862550 595583197 /nfs/dbraw/zinc/58/31/97/595583197.db2.gz AVGGKVCSYFBMCH-AWEZNQCLSA-N 2 0 334.445 1.278 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865907 595585755 /nfs/dbraw/zinc/58/57/55/595585755.db2.gz CADFYKHMKITKGN-BBRMVZONSA-N 2 0 330.432 1.432 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865908 595586003 /nfs/dbraw/zinc/58/60/03/595586003.db2.gz CADFYKHMKITKGN-CJNGLKHVSA-N 2 0 330.432 1.432 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)C2=NO[C@H](C[NH3+])C2)CCCC1)c1ccccc1 ZINC000852867996 595587482 /nfs/dbraw/zinc/58/74/82/595587482.db2.gz KCVRJFUTVOGNOG-ZBFHGGJFSA-N 2 0 344.459 1.870 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870532 595590186 /nfs/dbraw/zinc/59/01/86/595590186.db2.gz DGWXDCIJHKGPDA-VNQPRFMTSA-N 2 0 330.432 1.117 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103905 595665683 /nfs/dbraw/zinc/66/56/83/595665683.db2.gz CRPXVESMIRMXDR-PKOBYXMFSA-N 2 0 327.428 1.471 20 0 EDADRP C[C@H](CCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000853825374 595893067 /nfs/dbraw/zinc/89/30/67/595893067.db2.gz LNRZTSRPBDFAHP-OAHLLOKOSA-N 2 0 333.480 1.900 20 0 EDADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)O2 ZINC000851732543 595901109 /nfs/dbraw/zinc/90/11/09/595901109.db2.gz SYVJJDROSDKNRJ-QLFBSQMISA-N 2 0 337.464 1.306 20 0 EDADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@H](C[NH+]1C[C@@H]3C[NH2+]C[C@H]3C1)O2 ZINC000851732545 595901506 /nfs/dbraw/zinc/90/15/06/595901506.db2.gz SYVJJDROSDKNRJ-SOUVJXGZSA-N 2 0 337.464 1.306 20 0 EDADRP COC(CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1)OC ZINC000851764894 595914820 /nfs/dbraw/zinc/91/48/20/595914820.db2.gz NTEXNWFOBZCGTQ-UHFFFAOYSA-N 2 0 335.492 1.745 20 0 EDADRP NC(=O)[C@](O)(C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000851861051 595952164 /nfs/dbraw/zinc/95/21/64/595952164.db2.gz NOBPDHQXKQHMEP-CVAIRZPRSA-N 2 0 343.471 1.308 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583364 596020155 /nfs/dbraw/zinc/02/01/55/596020155.db2.gz FYXIWFSHYQCZLM-WMLDXEAASA-N 2 0 332.448 1.265 20 0 EDADRP CC[NH+](CC)CC(=O)N1CC[C@H](Oc2ccnc(C[N@@H+](C)CC)c2)C1 ZINC000856633502 596039806 /nfs/dbraw/zinc/03/98/06/596039806.db2.gz XYQFYDJXEWVTDN-SFHVURJKSA-N 2 0 348.491 1.855 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000857102987 596158051 /nfs/dbraw/zinc/15/80/51/596158051.db2.gz YJPCLRJSUROXCE-AWEZNQCLSA-N 2 0 334.464 1.180 20 0 EDADRP CCN1CCC([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000866526528 596242360 /nfs/dbraw/zinc/24/23/60/596242360.db2.gz KPNQYVZMAUKHKR-UHFFFAOYSA-N 2 0 325.497 1.866 20 0 EDADRP CO[C@H]1C[C@@H]2CN(C(=O)Cn3cncc3C)Cc3cccnc3N2C1 ZINC000870535261 596274251 /nfs/dbraw/zinc/27/42/51/596274251.db2.gz KPHCHYUQYGMTER-CVEARBPZSA-N 2 0 341.415 1.223 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000862214547 596276590 /nfs/dbraw/zinc/27/65/90/596276590.db2.gz VEOMMGNEIBYVHX-UHFFFAOYSA-N 2 0 345.487 1.728 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000866711831 596305314 /nfs/dbraw/zinc/30/53/14/596305314.db2.gz OWHILTBQZFWNGP-GRYCIOLGSA-N 2 0 329.491 1.050 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870921460 596406126 /nfs/dbraw/zinc/40/61/26/596406126.db2.gz PILJVIDYIDPMFI-ZIAGYGMSSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870943554 596414419 /nfs/dbraw/zinc/41/44/19/596414419.db2.gz PCCGSLXFIRSXGM-RYUDHWBXSA-N 2 0 326.441 1.382 20 0 EDADRP [NH3+]C1(CNC(=O)CC[NH2+]CC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000870948630 596416167 /nfs/dbraw/zinc/41/61/67/596416167.db2.gz TVVOICJZBJJPIH-UHFFFAOYSA-N 3 0 344.503 1.486 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000870951745 596416709 /nfs/dbraw/zinc/41/67/09/596416709.db2.gz FDEYEWVVNYCRKS-UHFFFAOYSA-N 2 0 335.492 1.526 20 0 EDADRP CC1CCC(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000867589805 596449139 /nfs/dbraw/zinc/44/91/39/596449139.db2.gz KCAFUXJXBMGYIV-JCCCHCCOSA-N 2 0 345.553 1.566 20 0 EDADRP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000863587486 596628400 /nfs/dbraw/zinc/62/84/00/596628400.db2.gz XOPTTYGYVYSANW-ILXRZTDVSA-N 2 0 327.469 1.431 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000869782227 596634232 /nfs/dbraw/zinc/63/42/32/596634232.db2.gz IAPGCKFPAHZXCZ-ROUUACIJSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@@H](O)c1ncc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000865708584 596656242 /nfs/dbraw/zinc/65/62/42/596656242.db2.gz ROTBUCQCZOOULR-GFCCVEGCSA-N 2 0 333.461 1.955 20 0 EDADRP O=C1OC[C@@]2(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)COCCN12 ZINC000865770302 596676707 /nfs/dbraw/zinc/67/67/07/596676707.db2.gz JYHBDQHLSRTSNJ-GOSISDBHSA-N 2 0 337.464 1.594 20 0 EDADRP CO[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCCCC1 ZINC000870016930 596708856 /nfs/dbraw/zinc/70/88/56/596708856.db2.gz BIODURGWBCQLDW-KURKYZTESA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2snnc2C2CC2)C[C@H]1C[NH+](C)C ZINC000870018517 596710354 /nfs/dbraw/zinc/71/03/54/596710354.db2.gz RPRDUBDBLZHQRH-CHWSQXEVSA-N 2 0 337.493 1.227 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870019215 596710658 /nfs/dbraw/zinc/71/06/58/596710658.db2.gz UQTCMQPNTBHZPM-HZPDHXFCSA-N 2 0 339.524 1.637 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000868173752 596711463 /nfs/dbraw/zinc/71/14/63/596711463.db2.gz ZCLQLNNPQNFKBF-HNNXBMFYSA-N 2 0 348.447 1.135 20 0 EDADRP CC(C)Oc1cncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020227 596711570 /nfs/dbraw/zinc/71/15/70/596711570.db2.gz ILZBUKOCZIPELN-IAGOWNOFSA-N 2 0 348.491 1.680 20 0 EDADRP CN(CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cc[nH+]cc1 ZINC000870021221 596712033 /nfs/dbraw/zinc/71/20/33/596712033.db2.gz CNZQHOXZXKTUJY-IAGOWNOFSA-N 3 0 347.507 1.106 20 0 EDADRP Cc1ccc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C ZINC000870025872 596715294 /nfs/dbraw/zinc/71/52/94/596715294.db2.gz ZSSACNPKZNGCGJ-QZTJIDSGSA-N 2 0 347.503 1.880 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868239393 596741001 /nfs/dbraw/zinc/74/10/01/596741001.db2.gz OBCMYWCMYSLTGQ-YESZJQIVSA-N 2 0 344.459 1.429 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ncnc3cccc(F)c32)C[C@H]1C[NH+](C)C ZINC000866012399 596757456 /nfs/dbraw/zinc/75/74/56/596757456.db2.gz BIRFIBSOTRFZBH-ZIAGYGMSSA-N 2 0 331.439 1.945 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000868299092 596774146 /nfs/dbraw/zinc/77/41/46/596774146.db2.gz ZXAPQPSEEOZLKV-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144570 596808847 /nfs/dbraw/zinc/80/88/47/596808847.db2.gz HLOZAWLDJWZPLV-KSZLIROESA-N 2 0 338.492 1.790 20 0 EDADRP CCCNC(=O)NC(=O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156995 596815660 /nfs/dbraw/zinc/81/56/60/596815660.db2.gz GEVWELNFFVHAEQ-GOEBONIOSA-N 2 0 338.496 1.842 20 0 EDADRP O[C@]1(CNC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200277 596832196 /nfs/dbraw/zinc/83/21/96/596832196.db2.gz YZAPUNWDNCYBEI-AABGKKOBSA-N 2 0 345.487 1.076 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872249321 596853742 /nfs/dbraw/zinc/85/37/42/596853742.db2.gz KHMKWWBQNPKGQN-TZMCWYRMSA-N 2 0 346.397 1.359 20 0 EDADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411364 596879443 /nfs/dbraw/zinc/87/94/43/596879443.db2.gz KNKWSUXJSLYKQU-GJZGRUSLSA-N 2 0 349.475 1.847 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875592887 596908631 /nfs/dbraw/zinc/90/86/31/596908631.db2.gz VZOKRJVCPXQHFI-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP CO[C@H]([C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875645981 596932152 /nfs/dbraw/zinc/93/21/52/596932152.db2.gz BPUDAURXEHZUIQ-MWQQHZPXSA-N 2 0 340.512 1.181 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)C[C@@H]2c2ccccc2)C[C@H]1C[NH+](C)C ZINC000872636569 597003165 /nfs/dbraw/zinc/00/31/65/597003165.db2.gz LATLGLKMTHKFJU-GUDVDZBRSA-N 2 0 344.503 1.589 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N(CC(F)F)C2CCC2)CC1 ZINC000888684044 597018518 /nfs/dbraw/zinc/01/85/18/597018518.db2.gz TXLMFYWSURUGFL-UHFFFAOYSA-N 2 0 332.439 1.842 20 0 EDADRP CC(C)N1C(=O)CC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000874466175 597092432 /nfs/dbraw/zinc/09/24/32/597092432.db2.gz GHLIIHFXVPKLPF-INIZCTEOSA-N 2 0 340.512 1.118 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000876202774 597132957 /nfs/dbraw/zinc/13/29/57/597132957.db2.gz VWHNADNAKIJDHO-WMZOPIPTSA-N 2 0 340.512 1.395 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)n1C ZINC000873055371 597173658 /nfs/dbraw/zinc/17/36/58/597173658.db2.gz HYPXTLZQZHMZGA-GJZGRUSLSA-N 2 0 337.464 1.791 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000876513319 597225701 /nfs/dbraw/zinc/22/57/01/597225701.db2.gz BVUQYHFSMQUYDU-SFHVURJKSA-N 2 0 344.503 1.567 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000876520278 597228518 /nfs/dbraw/zinc/22/85/18/597228518.db2.gz HULFEBDEVYKFNA-INIZCTEOSA-N 2 0 345.443 1.876 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)C1 ZINC000876521092 597229498 /nfs/dbraw/zinc/22/94/98/597229498.db2.gz HCLWEKCISBXEPV-CABCVRRESA-N 2 0 345.443 1.876 20 0 EDADRP Cc1cc([C@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)n(C)n1 ZINC000873245267 597237979 /nfs/dbraw/zinc/23/79/79/597237979.db2.gz YKVBEZIHJZBJTE-ZDUSSCGKSA-N 2 0 325.420 1.619 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247061 597238970 /nfs/dbraw/zinc/23/89/70/597238970.db2.gz HMVDJXXQYRCABO-SCLBCKFNSA-N 2 0 326.448 1.298 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2C)CCO1 ZINC000873248793 597239401 /nfs/dbraw/zinc/23/94/01/597239401.db2.gz ISGJTWHTPIBDGA-MOPGFXCFSA-N 2 0 335.492 1.539 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000873266092 597243256 /nfs/dbraw/zinc/24/32/56/597243256.db2.gz LOLGSGYUKNVABB-MOPGFXCFSA-N 2 0 335.492 1.539 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000876718970 597302976 /nfs/dbraw/zinc/30/29/76/597302976.db2.gz ACQJCSUAJUIJAW-ROUUACIJSA-N 2 0 347.459 1.455 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000876718646 597303677 /nfs/dbraw/zinc/30/36/77/597303677.db2.gz XOLXHINSWFGSSM-KRWDZBQOSA-N 2 0 345.491 1.816 20 0 EDADRP CC(C)(CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000876722888 597305736 /nfs/dbraw/zinc/30/57/36/597305736.db2.gz HNYGGYLKGWANCM-NVXWUHKLSA-N 2 0 333.451 1.887 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876722434 597306065 /nfs/dbraw/zinc/30/60/65/597306065.db2.gz UTBAIVYULUVDCY-BXWFABGCSA-N 2 0 346.519 1.670 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876727503 597308327 /nfs/dbraw/zinc/30/83/27/597308327.db2.gz MJBSLTGWDWVFDE-HOCLYGCPSA-N 2 0 331.464 1.330 20 0 EDADRP CC1(C)[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000876728123 597308817 /nfs/dbraw/zinc/30/88/17/597308817.db2.gz GJALQOMZUXPISN-KBPBESRZSA-N 2 0 325.522 1.838 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000876768346 597331991 /nfs/dbraw/zinc/33/19/91/597331991.db2.gz HZLRJZKNYFLZPN-ARFHVFGLSA-N 2 0 333.480 1.719 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876897421 597375573 /nfs/dbraw/zinc/37/55/73/597375573.db2.gz RXIIPUHTAXXQOG-CQDKDKBSSA-N 2 0 338.402 1.563 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876904287 597378538 /nfs/dbraw/zinc/37/85/38/597378538.db2.gz XYJIHHZKQLGTGL-BPQIPLTHSA-N 2 0 349.450 1.896 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947252 597393144 /nfs/dbraw/zinc/39/31/44/597393144.db2.gz AOUFOBUMWQDCAT-HNNXBMFYSA-N 2 0 345.422 1.644 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876960817 597397512 /nfs/dbraw/zinc/39/75/12/597397512.db2.gz NKFHUJPLEDUIGS-KRCKVYFQSA-N 2 0 343.471 1.425 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H]([NH3+])COC(C)C ZINC000877030793 597416386 /nfs/dbraw/zinc/41/63/86/597416386.db2.gz LRXUKSVDABLUOP-SOLBZPMBSA-N 2 0 331.460 1.882 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875448546 597432484 /nfs/dbraw/zinc/43/24/84/597432484.db2.gz VYVIUTHFSPWCOP-QBPKDAKJSA-N 2 0 340.512 1.182 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000877138076 597440339 /nfs/dbraw/zinc/44/03/39/597440339.db2.gz NOEXHQCTRMDMJY-SOUVJXGZSA-N 2 0 326.404 1.270 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccccc2)C[C@H]1C[NH+](C)C ZINC000877143277 597442233 /nfs/dbraw/zinc/44/22/33/597442233.db2.gz KKDNVLWBGOMQIB-GPMSIDNRSA-N 3 0 332.492 1.058 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1C[NH+](C)C ZINC000877143043 597442288 /nfs/dbraw/zinc/44/22/88/597442288.db2.gz CSIKEXLUGBWIOG-DZVNLGKHSA-N 3 0 336.524 1.105 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201154 597460582 /nfs/dbraw/zinc/46/05/82/597460582.db2.gz DRMDZXZJJLNTOM-RTBURBONSA-N 2 0 345.487 1.769 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCc2cccc(-n3cc(C[NH3+])nn3)c2)CC[N@@H+]1C ZINC000877206809 597462100 /nfs/dbraw/zinc/46/21/00/597462100.db2.gz QOVARGJRVIBRKM-DLBZAZTESA-N 2 0 342.447 1.073 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C[C@H]2[NH3+])cc1 ZINC000877237911 597474037 /nfs/dbraw/zinc/47/40/37/597474037.db2.gz OTMRMASATVKVNQ-KJWYOANISA-N 2 0 331.460 1.821 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@H]1C(F)(F)F ZINC000877358987 597500562 /nfs/dbraw/zinc/50/05/62/597500562.db2.gz FMKMBBAFNPLIIS-HUUCEWRRSA-N 2 0 341.377 1.584 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1)C2 ZINC000877371507 597503660 /nfs/dbraw/zinc/50/36/60/597503660.db2.gz IMRBZSRPPMOHAM-GZBFAFLISA-N 2 0 327.350 1.773 20 0 EDADRP COC(=O)Cc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877621880 597542060 /nfs/dbraw/zinc/54/20/60/597542060.db2.gz XVPVDVMIXYDPBK-UHFFFAOYSA-N 2 0 334.460 1.727 20 0 EDADRP CCN(CC(=O)NC1CC[NH+](C)CC1)C[C@@H](O)c1ccc(C)cc1 ZINC000878148383 597581903 /nfs/dbraw/zinc/58/19/03/597581903.db2.gz GRWLLRDVLHHOKJ-GOSISDBHSA-N 2 0 333.476 1.561 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000878363941 597597863 /nfs/dbraw/zinc/59/78/63/597597863.db2.gz LRZOSZAEILSZJY-VQIMIIECSA-N 2 0 331.460 1.564 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)C1(CC)CC ZINC000878448533 597602626 /nfs/dbraw/zinc/60/26/26/597602626.db2.gz SHQDVQOWIQPUGA-HOTGVXAUSA-N 2 0 325.497 1.770 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[C@H]1CCSC1 ZINC000881473862 597631271 /nfs/dbraw/zinc/63/12/71/597631271.db2.gz BHQOAWCRFIQVLH-CVEARBPZSA-N 2 0 341.521 1.183 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591824 597648466 /nfs/dbraw/zinc/64/84/66/597648466.db2.gz UKZFFWSYAUDSLU-IBGZPJMESA-N 2 0 347.503 1.447 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000883116730 597656029 /nfs/dbraw/zinc/65/60/29/597656029.db2.gz CLYWJMKSZFHSEK-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883344289 597720242 /nfs/dbraw/zinc/72/02/42/597720242.db2.gz UWDMYKWYPBSKHH-KRWDZBQOSA-N 2 0 343.475 1.673 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883436303 597745957 /nfs/dbraw/zinc/74/59/57/597745957.db2.gz PFZVLQMXPXTPQS-WBVHZDCISA-N 2 0 343.475 1.786 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(C[NH3+])CCCCC1 ZINC000883454126 597754008 /nfs/dbraw/zinc/75/40/08/597754008.db2.gz PYGSYGGAFRYDPA-SFHVURJKSA-N 2 0 346.519 1.999 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[NH2+]CCC23CCC3)cc1 ZINC000883478879 597767752 /nfs/dbraw/zinc/76/77/52/597767752.db2.gz DAUVRDPOKGRRGZ-UHFFFAOYSA-N 2 0 337.489 1.655 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000883616806 597830824 /nfs/dbraw/zinc/83/08/24/597830824.db2.gz TXAJBRNMHITSKY-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP COc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000879165800 597837619 /nfs/dbraw/zinc/83/76/19/597837619.db2.gz QTURZPFODBZVBE-ZIAGYGMSSA-N 2 0 335.452 1.293 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)N1CCOC[C@@H]1C1CC1)CC2 ZINC000879249997 597864709 /nfs/dbraw/zinc/86/47/09/597864709.db2.gz JFGQJTZDEQIYBE-QGZVFWFLSA-N 2 0 335.492 1.432 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884017225 597969089 /nfs/dbraw/zinc/96/90/89/597969089.db2.gz PNZPUMLNIZYVEK-MFKMUULPSA-N 2 0 326.238 1.646 20 0 EDADRP [NH3+][C@H](C(=O)NC1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000884019311 597969505 /nfs/dbraw/zinc/96/95/05/597969505.db2.gz QBUJAUHYGVCELJ-BPCQOVAHSA-N 2 0 326.238 1.835 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884180091 598017014 /nfs/dbraw/zinc/01/70/14/598017014.db2.gz LXESGEPVQIUKKE-INIZCTEOSA-N 2 0 345.491 1.486 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])CC2CC2)c1 ZINC000884187686 598019577 /nfs/dbraw/zinc/01/95/77/598019577.db2.gz MEZHTJQHJMTINJ-KRWDZBQOSA-N 2 0 346.475 1.824 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884197905 598024638 /nfs/dbraw/zinc/02/46/38/598024638.db2.gz IIJSYEICJPLRTP-CVEARBPZSA-N 2 0 343.475 1.786 20 0 EDADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000884207278 598029187 /nfs/dbraw/zinc/02/91/87/598029187.db2.gz QZUYUKPTAVPVHO-INIZCTEOSA-N 2 0 337.489 1.580 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000884229421 598037469 /nfs/dbraw/zinc/03/74/69/598037469.db2.gz QDLHRAAYCJAEJV-GOSISDBHSA-N 2 0 331.460 1.387 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000884291399 598056839 /nfs/dbraw/zinc/05/68/39/598056839.db2.gz XKPNNSPDUMWJJZ-MAUKXSAKSA-N 2 0 340.471 1.886 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884306506 598060469 /nfs/dbraw/zinc/06/04/69/598060469.db2.gz GJNROCXANCWEDA-QGZVFWFLSA-N 2 0 345.443 1.483 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000884348044 598077018 /nfs/dbraw/zinc/07/70/18/598077018.db2.gz MMJSHGITIKBQQD-GVDBMIGSSA-N 2 0 341.459 1.043 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000884371289 598084182 /nfs/dbraw/zinc/08/41/82/598084182.db2.gz KPRLZQYHCYJQBI-GDBMZVCRSA-N 2 0 326.444 1.829 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CCOC)cc1 ZINC000884404379 598095278 /nfs/dbraw/zinc/09/52/78/598095278.db2.gz KGUBOYJITMMPNM-BBWFWOEESA-N 2 0 335.448 1.011 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)n1cc([C@H](C)[NH3+])nn1 ZINC000881278508 598115907 /nfs/dbraw/zinc/11/59/07/598115907.db2.gz WVWFSGXOAJPYNW-LZWOXQAQSA-N 2 0 342.447 1.250 20 0 EDADRP CCO[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1)C[NH+](C)C ZINC000914078201 695074023 /nfs/dbraw/zinc/07/40/23/695074023.db2.gz KDQBTYYJEADLQH-BRWVUGGUSA-N 2 0 342.528 1.620 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC000995015569 699977349 /nfs/dbraw/zinc/97/73/49/699977349.db2.gz QUURISGBYXGLCU-ZWKOTPCHSA-N 2 0 349.519 1.916 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000914384206 695381604 /nfs/dbraw/zinc/38/16/04/695381604.db2.gz PCOUAGVYLFPZID-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)CC1 ZINC001031188504 695707149 /nfs/dbraw/zinc/70/71/49/695707149.db2.gz PKYAPUYPXWOCHD-APWZRJJASA-N 2 0 335.492 1.334 20 0 EDADRP C/C(=C\C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)CN1CCOCC1 ZINC000915263046 695775707 /nfs/dbraw/zinc/77/57/07/695775707.db2.gz ZVKWULMPJHAXIQ-MAUBAPBLSA-N 2 0 344.459 1.397 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NC1CN(C[C@H]2CC(C)(C)CO2)C1 ZINC001031267357 696081543 /nfs/dbraw/zinc/08/15/43/696081543.db2.gz DDHZDKVNSKISEA-CQSZACIVSA-N 2 0 332.448 1.377 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2cc(-n3ccnc3)ccn2)CCC[N@@H+]1CCCO ZINC000994164080 696551474 /nfs/dbraw/zinc/55/14/74/696551474.db2.gz WIAUMKHZOQWBAU-ZBFHGGJFSA-N 2 0 343.431 1.232 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1ccnn1C ZINC000994252541 696648786 /nfs/dbraw/zinc/64/87/86/696648786.db2.gz MEPCHNYLNRGATK-RDJZCZTQSA-N 2 0 345.491 1.028 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000916362476 696655163 /nfs/dbraw/zinc/65/51/63/696655163.db2.gz SCVAWAYIBHEGPC-KKUMJFAQSA-N 2 0 328.526 1.596 20 0 EDADRP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008467 700110346 /nfs/dbraw/zinc/11/03/46/700110346.db2.gz OBJNNZXBDFKZRU-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000917570171 697040391 /nfs/dbraw/zinc/04/03/91/697040391.db2.gz GQIVFYYMLLLFJC-WBVHZDCISA-N 2 0 333.480 1.715 20 0 EDADRP CCN1CCO[C@H](C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031418994 697072635 /nfs/dbraw/zinc/07/26/35/697072635.db2.gz QRGWZRKHSQBRGY-KRWDZBQOSA-N 2 0 335.492 1.478 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919128358 697247147 /nfs/dbraw/zinc/24/71/47/697247147.db2.gz XQCFWWQHLJGMIB-PQUAAJSLSA-N 2 0 338.496 1.413 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031576697 697271876 /nfs/dbraw/zinc/27/18/76/697271876.db2.gz CXPYJLSEZNENBE-SFHVURJKSA-N 2 0 331.460 1.380 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1C ZINC001031584230 697279480 /nfs/dbraw/zinc/27/94/80/697279480.db2.gz AESYXNFGEZWXRI-KRWDZBQOSA-N 2 0 331.460 1.646 20 0 EDADRP CN(CC[N@H+](C)CCOC1CCSCC1)C1CC[NH+](C)CC1 ZINC000930114513 697392314 /nfs/dbraw/zinc/39/23/14/697392314.db2.gz SIQCCXVLVWDZQN-UHFFFAOYSA-N 2 0 329.554 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031667017 697447919 /nfs/dbraw/zinc/44/79/19/697447919.db2.gz VNPSOLSQSQVJBH-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001031674066 697482320 /nfs/dbraw/zinc/48/23/20/697482320.db2.gz COBSNNZFUNHMDH-LJQANCHMSA-N 2 0 327.472 1.885 20 0 EDADRP O=C(NCC1CN(Cc2ccc(F)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675620 697485714 /nfs/dbraw/zinc/48/57/14/697485714.db2.gz OUJBXFSCSZGHNR-GOSISDBHSA-N 2 0 331.435 1.716 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)CC[N@@H+]1C ZINC001031681182 697500716 /nfs/dbraw/zinc/50/07/16/697500716.db2.gz HLJURIDSESHXPI-VNHYZAJKSA-N 2 0 329.435 1.810 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715611 697741743 /nfs/dbraw/zinc/74/17/43/697741743.db2.gz XKBMEHNZGAOEJN-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727384 697954114 /nfs/dbraw/zinc/95/41/14/697954114.db2.gz FPUPQLQHXXZVJP-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)C1 ZINC001031729357 698051783 /nfs/dbraw/zinc/05/17/83/698051783.db2.gz LJAWWBIKVFXSSG-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ncc(CN2CC(CNC(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)cn1 ZINC001031729192 698082534 /nfs/dbraw/zinc/08/25/34/698082534.db2.gz HMLWKFWHNQPRKK-SFHVURJKSA-N 2 0 345.491 1.311 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337622 698155696 /nfs/dbraw/zinc/15/56/96/698155696.db2.gz YUHJYRQPVKGFOG-MAUKXSAKSA-N 2 0 347.507 1.479 20 0 EDADRP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940114854 700229636 /nfs/dbraw/zinc/22/96/36/700229636.db2.gz CMHQYKVOEGBHOY-ROUUACIJSA-N 2 0 349.519 1.868 20 0 EDADRP CC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940114853 700229689 /nfs/dbraw/zinc/22/96/89/700229689.db2.gz CMHQYKVOEGBHOY-QZTJIDSGSA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031772035 699095926 /nfs/dbraw/zinc/09/59/26/699095926.db2.gz MEWIPOQUXLAWMS-GOSISDBHSA-N 2 0 331.460 1.598 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)ncn1 ZINC000939064256 699131513 /nfs/dbraw/zinc/13/15/13/699131513.db2.gz SYNANORFGLTUQF-SUMWQHHRSA-N 2 0 331.464 1.063 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939064633 699132299 /nfs/dbraw/zinc/13/22/99/699132299.db2.gz ZWVCJNOXNUWAEM-CRAIPNDOSA-N 2 0 347.507 1.224 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939129553 699227016 /nfs/dbraw/zinc/22/70/16/699227016.db2.gz XTRFNCBSUMYVQE-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995160470 701578630 /nfs/dbraw/zinc/57/86/30/701578630.db2.gz OFIJXUCUIWPKPS-GDBMZVCRSA-N 2 0 349.479 1.565 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031806650 699431337 /nfs/dbraw/zinc/43/13/37/699431337.db2.gz JFRGYXNMFPRBGH-ZWKOTPCHSA-N 2 0 337.508 1.724 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939259906 699437951 /nfs/dbraw/zinc/43/79/51/699437951.db2.gz XFCJFHYHQLINCW-NVXWUHKLSA-N 2 0 347.507 1.571 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604411 701593691 /nfs/dbraw/zinc/59/36/91/701593691.db2.gz YXQOXXXXDOOCMZ-HKUYNNGSSA-N 2 0 348.535 1.488 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)CCO1 ZINC001031816714 699517493 /nfs/dbraw/zinc/51/74/93/699517493.db2.gz JGDLPQIYISYITJ-HUUCEWRRSA-N 2 0 342.443 1.811 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)n1 ZINC000994937608 699521720 /nfs/dbraw/zinc/52/17/20/699521720.db2.gz FJMPNEJLNNFFRC-SJORKVTESA-N 2 0 347.507 1.733 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817713 699534860 /nfs/dbraw/zinc/53/48/60/699534860.db2.gz PQBJABLJRMLXEH-UHFFFAOYSA-N 2 0 328.416 1.423 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCN(C3C[NH+](CC4CCC4)C3)CC2)CC1 ZINC000941615046 701597134 /nfs/dbraw/zinc/59/71/34/701597134.db2.gz OXUBGFUOZYSGJU-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939398650 699547725 /nfs/dbraw/zinc/54/77/25/699547725.db2.gz PPYCNBVDJOOFBB-QAPCUYQASA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939549813 699673201 /nfs/dbraw/zinc/67/32/01/699673201.db2.gz DGLLVWQEJCLZRE-CRAIPNDOSA-N 2 0 345.462 1.901 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000939552663 699702823 /nfs/dbraw/zinc/70/28/23/699702823.db2.gz ZZNHORXMXILDFO-DZGCQCFKSA-N 2 0 346.475 1.578 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC000995165419 701610703 /nfs/dbraw/zinc/61/07/03/701610703.db2.gz DRIFKISWUBQTRB-JKSUJKDBSA-N 2 0 346.475 1.762 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939752991 699902563 /nfs/dbraw/zinc/90/25/63/699902563.db2.gz CBAFECZRXNQFIF-GUYCJALGSA-N 2 0 337.414 1.997 20 0 EDADRP COc1ccc(CC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1 ZINC000939754950 699905067 /nfs/dbraw/zinc/90/50/67/699905067.db2.gz BDOJKCJCGFJHOF-APWZRJJASA-N 2 0 345.487 1.770 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810405 699958638 /nfs/dbraw/zinc/95/86/38/699958638.db2.gz MXBOQMCSBIBJRG-YJBOKZPZSA-N 2 0 347.507 1.541 20 0 EDADRP CC1([NH2+]Cc2cncs2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000940144782 700274820 /nfs/dbraw/zinc/27/48/20/700274820.db2.gz NOFVXRIFKCIQKR-UHFFFAOYSA-N 2 0 333.461 1.970 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CC1 ZINC000940148652 700281620 /nfs/dbraw/zinc/28/16/20/700281620.db2.gz CCWGGCOFKGJIAN-CQSZACIVSA-N 2 0 337.493 1.349 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940149320 700282178 /nfs/dbraw/zinc/28/21/78/700282178.db2.gz JMHPJTIXBUAPEZ-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940159087 700291318 /nfs/dbraw/zinc/29/13/18/700291318.db2.gz AJXIIFHJFDCLIR-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995166702 701631684 /nfs/dbraw/zinc/63/16/84/701631684.db2.gz HGEFKXDNHOFRHX-NVXWUHKLSA-N 2 0 343.475 1.255 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000940337310 700495301 /nfs/dbraw/zinc/49/53/01/700495301.db2.gz FUJZVVNIGYTBQO-AWEZNQCLSA-N 2 0 348.495 1.493 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940328383 700506571 /nfs/dbraw/zinc/50/65/71/700506571.db2.gz IISDVJWMMUMUNO-OAHLLOKOSA-N 2 0 331.464 1.432 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000940329665 700509188 /nfs/dbraw/zinc/50/91/88/700509188.db2.gz WIJLAIBZQSNQDN-AWEZNQCLSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940329516 700509194 /nfs/dbraw/zinc/50/91/94/700509194.db2.gz UYAPHQKMHCJWHM-INIZCTEOSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940371011 700553231 /nfs/dbraw/zinc/55/32/31/700553231.db2.gz GRISUDOBTRZUJI-HNNXBMFYSA-N 2 0 348.491 1.986 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000940426221 700619721 /nfs/dbraw/zinc/61/97/21/700619721.db2.gz KLCRSNSKFCCREG-MRXNPFEDSA-N 2 0 345.491 1.598 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940426675 700620418 /nfs/dbraw/zinc/62/04/18/700620418.db2.gz XIHBSLMVCSTLDM-ZBFHGGJFSA-N 2 0 349.479 1.661 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000940457678 700661524 /nfs/dbraw/zinc/66/15/24/700661524.db2.gz PFOKGNVNSRTVKQ-ZDUSSCGKSA-N 2 0 337.493 1.269 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nncs3)C2)CC1 ZINC000995077883 700679250 /nfs/dbraw/zinc/67/92/50/700679250.db2.gz IRJGTZNRXAWEBZ-JSGCOSHPSA-N 2 0 337.493 1.254 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)[C@@H]1CCCc2nc[nH]c21 ZINC001031968910 701674720 /nfs/dbraw/zinc/67/47/20/701674720.db2.gz PLTMVQOOAZYRPR-DZGCQCFKSA-N 2 0 332.448 1.304 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945174 701010770 /nfs/dbraw/zinc/01/07/70/701010770.db2.gz XSSAUKVKQNTXAW-OAHLLOKOSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCC3)C2)cn1 ZINC000995113798 701017237 /nfs/dbraw/zinc/01/72/37/701017237.db2.gz OMSPXGLFNAOAAY-WMZOPIPTSA-N 2 0 347.507 1.733 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166986 701377897 /nfs/dbraw/zinc/37/78/97/701377897.db2.gz NVFRHQOIYRCINN-IRXDYDNUSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)O1 ZINC001031931402 701380045 /nfs/dbraw/zinc/38/00/45/701380045.db2.gz IROQSYDUZPXBBN-CZUORRHYSA-N 2 0 335.448 1.570 20 0 EDADRP Cc1oncc1CN1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932218 701384042 /nfs/dbraw/zinc/38/40/42/701384042.db2.gz YGIXOIZUQFCQCO-UHFFFAOYSA-N 2 0 332.404 1.499 20 0 EDADRP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941215691 701402052 /nfs/dbraw/zinc/40/20/52/701402052.db2.gz AAEBMJNSGMZBKS-HOCLYGCPSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CC[C@H]3CC3(Cl)Cl)C2)CC1 ZINC001031948616 701518152 /nfs/dbraw/zinc/51/81/52/701518152.db2.gz HMLCTDVXFKEQIY-AWEZNQCLSA-N 2 0 348.318 1.960 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)cc1C ZINC001031948652 701518521 /nfs/dbraw/zinc/51/85/21/701518521.db2.gz JGLACYYHTZIIKM-UHFFFAOYSA-N 2 0 345.487 1.893 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941460037 701544169 /nfs/dbraw/zinc/54/41/69/701544169.db2.gz MLHBXJUENHUJHD-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189843 706632119 /nfs/dbraw/zinc/63/21/19/706632119.db2.gz NOBVNIGUGJFPES-IXDOHACOSA-N 2 0 330.476 1.811 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977128 702011501 /nfs/dbraw/zinc/01/15/01/702011501.db2.gz WZRDPTZGRJRUTI-QRWLVFNGSA-N 2 0 341.499 1.921 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)ns2)C1 ZINC001032205539 702063462 /nfs/dbraw/zinc/06/34/62/702063462.db2.gz BBMQKNCDROKLKK-MRXNPFEDSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825949 702098979 /nfs/dbraw/zinc/09/89/79/702098979.db2.gz UPHAUQRQQFRLDL-WBVHZDCISA-N 2 0 346.475 1.651 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995835413 702112366 /nfs/dbraw/zinc/11/23/66/702112366.db2.gz XCYXERFUDWGTLC-BFYDXBDKSA-N 2 0 345.491 1.452 20 0 EDADRP CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@H]1[NH2+]Cc1cncs1 ZINC000995879081 702185755 /nfs/dbraw/zinc/18/57/55/702185755.db2.gz BKHNXCCOJZQIBG-CQSZACIVSA-N 2 0 333.461 1.826 20 0 EDADRP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182536 702202398 /nfs/dbraw/zinc/20/23/98/702202398.db2.gz MXUHHAGIUTXMSP-QGZVFWFLSA-N 2 0 330.476 1.252 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995916086 702276468 /nfs/dbraw/zinc/27/64/68/702276468.db2.gz IFYUWQOSHSZDSD-INIZCTEOSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999222603 706656006 /nfs/dbraw/zinc/65/60/06/706656006.db2.gz IDBPNVUFDHZRPR-UHFFFAOYSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032185613 702302717 /nfs/dbraw/zinc/30/27/17/702302717.db2.gz AKAZPNZNVWQODD-QGZVFWFLSA-N 2 0 331.460 1.374 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1)c1ccccc1 ZINC001032186222 702318675 /nfs/dbraw/zinc/31/86/75/702318675.db2.gz LGROXLGJZJHYJN-ZWKOTPCHSA-N 2 0 331.460 1.374 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995958319 702324685 /nfs/dbraw/zinc/32/46/85/702324685.db2.gz DAWBBKRUJMIPLP-MRXNPFEDSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccns2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167271 702404858 /nfs/dbraw/zinc/40/48/58/702404858.db2.gz CDBAZZOXQGWIGU-ZFWWWQNUSA-N 2 0 334.489 1.566 20 0 EDADRP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944168217 702407913 /nfs/dbraw/zinc/40/79/13/702407913.db2.gz HQRSQFRPFXNARD-UKRRQHHQSA-N 2 0 341.446 1.954 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944156689 702452457 /nfs/dbraw/zinc/45/24/57/702452457.db2.gz VORHLBDKSAJLKG-GUYCJALGSA-N 2 0 346.475 1.714 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CC1 ZINC000996072565 702484624 /nfs/dbraw/zinc/48/46/24/702484624.db2.gz QEZARLBCSBPTOD-IOSXPMGOSA-N 2 0 333.476 1.086 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186705 702590898 /nfs/dbraw/zinc/59/08/98/702590898.db2.gz IXOKSRGFWKLLSN-IRXDYDNUSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098781 702592949 /nfs/dbraw/zinc/59/29/49/702592949.db2.gz ASKKPLPEHVMFSF-GXTWGEPZSA-N 2 0 325.478 1.242 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995205913 702646127 /nfs/dbraw/zinc/64/61/27/702646127.db2.gz CXTZVTPYCFDULP-HOTGVXAUSA-N 2 0 348.495 1.077 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996299828 702690653 /nfs/dbraw/zinc/69/06/53/702690653.db2.gz DWSHGEIQNRWLAH-TZMCWYRMSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)cn1 ZINC000996300043 702691202 /nfs/dbraw/zinc/69/12/02/702691202.db2.gz JDHOURLQQXTKTB-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256822 702747958 /nfs/dbraw/zinc/74/79/58/702747958.db2.gz HNYDTYILRGPCIX-RDJZCZTQSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)co1 ZINC000996463568 702791291 /nfs/dbraw/zinc/79/12/91/702791291.db2.gz IANKSGTUDUEPCG-QGZVFWFLSA-N 2 0 334.464 1.936 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996475600 702807903 /nfs/dbraw/zinc/80/79/03/702807903.db2.gz CLWAHCLMLJYMEJ-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500573 702839387 /nfs/dbraw/zinc/83/93/87/702839387.db2.gz GXZKAFIALZQRGG-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]C[C@H]1CCCCO1 ZINC000996520243 702855948 /nfs/dbraw/zinc/85/59/48/702855948.db2.gz ORWRUDMLGKCLHF-CVEARBPZSA-N 2 0 335.492 1.478 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccns1 ZINC000996522489 702858005 /nfs/dbraw/zinc/85/80/05/702858005.db2.gz XCZOWNGNZZYHRT-AWEZNQCLSA-N 2 0 334.489 1.566 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC([NH2+]CC3CCC3)CC2)n1 ZINC000996580107 702891699 /nfs/dbraw/zinc/89/16/99/702891699.db2.gz IQCZNVVNOUWDAH-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@@H](C)c3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000996602945 702912557 /nfs/dbraw/zinc/91/25/57/702912557.db2.gz IWYQQIUYQCRTIN-VBNZEHGJSA-N 2 0 348.495 1.485 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC000996610060 702921100 /nfs/dbraw/zinc/92/11/00/702921100.db2.gz XYHAJEKFCMCJAE-VSVYTNTFSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616445 702923369 /nfs/dbraw/zinc/92/33/69/702923369.db2.gz SBGGSBRPVIJGNN-RDJZCZTQSA-N 2 0 330.476 1.668 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CCC2CC2)C(C)(C)C1 ZINC000996627689 702930540 /nfs/dbraw/zinc/93/05/40/702930540.db2.gz YEDFXDYVCZNSCF-WBVHZDCISA-N 2 0 337.508 1.581 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000996664066 702962342 /nfs/dbraw/zinc/96/23/42/702962342.db2.gz DJMPYBNHZFDDDP-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC000996667391 702964468 /nfs/dbraw/zinc/96/44/68/702964468.db2.gz AXLTZJYYVKEQJF-HZPDHXFCSA-N 2 0 338.496 1.094 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccccc1 ZINC001032315308 702968801 /nfs/dbraw/zinc/96/88/01/702968801.db2.gz ICYZZTDEEXMUIY-XYJFISCASA-N 2 0 329.444 1.445 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC000996670140 702971627 /nfs/dbraw/zinc/97/16/27/702971627.db2.gz VBAJLPQLHVZWKU-MRXNPFEDSA-N 2 0 348.495 1.457 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996672398 702973356 /nfs/dbraw/zinc/97/33/56/702973356.db2.gz MUMNCZZDMPPDJZ-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996688293 702985667 /nfs/dbraw/zinc/98/56/67/702985667.db2.gz HSPQESCVDIRWIX-OAHLLOKOSA-N 2 0 335.452 1.333 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000996692569 702989694 /nfs/dbraw/zinc/98/96/94/702989694.db2.gz NSBSYIVZQOAKRN-VJFUWPCTSA-N 2 0 339.524 1.968 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996715376 703010228 /nfs/dbraw/zinc/01/02/28/703010228.db2.gz FSZKRBRFUFTCDG-ZBFHGGJFSA-N 2 0 349.504 1.636 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ncccn2)CC1)C12CCC[NH+]1CCC2 ZINC000996771825 703061951 /nfs/dbraw/zinc/06/19/51/703061951.db2.gz UTKFLSRGMJSJLV-UHFFFAOYSA-N 2 0 329.448 1.186 20 0 EDADRP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597753 703112523 /nfs/dbraw/zinc/11/25/23/703112523.db2.gz NHOGNSHIAKCANN-SUMWQHHRSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)c1ncccn1 ZINC000996868658 703141231 /nfs/dbraw/zinc/14/12/31/703141231.db2.gz VXAZGMAVBPUAON-HNNXBMFYSA-N 2 0 345.491 1.993 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]Cc2cnns2)CC1)[NH+]1CCCC1 ZINC000996868708 703141236 /nfs/dbraw/zinc/14/12/36/703141236.db2.gz XZHOFKDMBITDIY-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000996976909 703241948 /nfs/dbraw/zinc/24/19/48/703241948.db2.gz DTGGTWWWCQMURX-QAPCUYQASA-N 2 0 330.476 1.893 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000996996932 703260577 /nfs/dbraw/zinc/26/05/77/703260577.db2.gz ARBVJTNUSYKZMB-CQSZACIVSA-N 2 0 348.491 1.968 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009228 703269717 /nfs/dbraw/zinc/26/97/17/703269717.db2.gz YUOIMYPCVFTNTA-CQSZACIVSA-N 2 0 348.495 1.029 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997012542 703272430 /nfs/dbraw/zinc/27/24/30/703272430.db2.gz XRQQEMPDULLUBB-WMLDXEAASA-N 2 0 346.475 1.369 20 0 EDADRP Cn1nccc1CC[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057129 703302918 /nfs/dbraw/zinc/30/29/18/703302918.db2.gz JAZXSWVOLYNRTA-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC000997063964 703308821 /nfs/dbraw/zinc/30/88/21/703308821.db2.gz RWSYWMSSRKYGFU-HOTGVXAUSA-N 2 0 338.496 1.094 20 0 EDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821683 703330317 /nfs/dbraw/zinc/33/03/17/703330317.db2.gz GDCCWVBOVYDCSF-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnn(CCF)c3)cn2)CC1 ZINC000921521631 703357409 /nfs/dbraw/zinc/35/74/09/703357409.db2.gz LKTHQTYDUDKGHC-UHFFFAOYSA-N 2 0 332.427 1.289 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)CC[N@@H+]1C ZINC001032414006 703466015 /nfs/dbraw/zinc/46/60/15/703466015.db2.gz YAWQQVQYDNUFLK-CADBVGFASA-N 2 0 349.519 1.819 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181983 703466854 /nfs/dbraw/zinc/46/68/54/703466854.db2.gz FJNQQZIEUTZNGF-TZMCWYRMSA-N 2 0 334.468 1.097 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC000997189888 703472076 /nfs/dbraw/zinc/47/20/76/703472076.db2.gz VBFULHBSPJNRPW-ZDUSSCGKSA-N 2 0 346.479 1.105 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1ncccn1 ZINC000997190167 703472344 /nfs/dbraw/zinc/47/23/44/703472344.db2.gz XAQSVHDLLKYCFY-CQSZACIVSA-N 2 0 329.448 1.214 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997186428 703475466 /nfs/dbraw/zinc/47/54/66/703475466.db2.gz MPKUYMMQDAEDNV-OAHLLOKOSA-N 2 0 346.475 1.768 20 0 EDADRP CC(C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228089 703503754 /nfs/dbraw/zinc/50/37/54/703503754.db2.gz FXVKXAQLSOQPGD-RXHUYCNISA-N 2 0 335.492 1.475 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001060822115 703537258 /nfs/dbraw/zinc/53/72/58/703537258.db2.gz RNRSALFUINZPFR-JYJNAYRXSA-N 2 0 340.512 1.070 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997360655 703591150 /nfs/dbraw/zinc/59/11/50/703591150.db2.gz QFKYCBXPISGYHD-IYBDPMFKSA-N 2 0 347.507 1.856 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2)CCC1 ZINC001032442611 703618753 /nfs/dbraw/zinc/61/87/53/703618753.db2.gz AJSRRZJBBUNUCY-ROUUACIJSA-N 2 0 327.472 1.999 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCn2cccn2)CC1 ZINC000997389740 703657664 /nfs/dbraw/zinc/65/76/64/703657664.db2.gz HOPZYHNGLXDPSZ-MRXNPFEDSA-N 2 0 345.491 1.196 20 0 EDADRP O=c1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc[nH]1 ZINC000921635073 703790396 /nfs/dbraw/zinc/79/03/96/703790396.db2.gz YODWBBVFMFKVRT-UHFFFAOYSA-N 2 0 327.432 1.484 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032500705 703818883 /nfs/dbraw/zinc/81/88/83/703818883.db2.gz CPBTYYUUQSSQHE-COXVUDFISA-N 2 0 326.400 1.270 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)ccn1 ZINC000995550071 703928031 /nfs/dbraw/zinc/92/80/31/703928031.db2.gz HKVHKDQWPFRAIO-JKSUJKDBSA-N 2 0 346.475 1.511 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000995549877 703933763 /nfs/dbraw/zinc/93/37/63/703933763.db2.gz GDLFZWXBVQPFBK-HOTGVXAUSA-N 2 0 334.439 1.642 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922533136 703933803 /nfs/dbraw/zinc/93/38/03/703933803.db2.gz LDLMGPMFUKHSGX-RBSFLKMASA-N 2 0 328.526 1.594 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033076805 704125767 /nfs/dbraw/zinc/12/57/67/704125767.db2.gz PJDUSNIHEAOSIP-JKSUJKDBSA-N 2 0 325.497 1.819 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](C[C@@H](C)O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597669 704292552 /nfs/dbraw/zinc/29/25/52/704292552.db2.gz FGFSIGLSENZPLS-DFBDCSAJSA-N 2 0 337.508 1.268 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999302937 706806315 /nfs/dbraw/zinc/80/63/15/706806315.db2.gz GSODRPCPZREKPV-WBVHZDCISA-N 2 0 333.480 1.375 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999302932 706806412 /nfs/dbraw/zinc/80/64/12/706806412.db2.gz GSODRPCPZREKPV-RDJZCZTQSA-N 2 0 333.480 1.375 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004440242 704422606 /nfs/dbraw/zinc/42/26/06/704422606.db2.gz YKROIEAWLGJXMV-ZWKOTPCHSA-N 2 0 335.492 1.024 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997733738 704632736 /nfs/dbraw/zinc/63/27/36/704632736.db2.gz CNQWJTVPQPMBGW-KGLIPLIRSA-N 2 0 337.464 1.552 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000997819430 704740580 /nfs/dbraw/zinc/74/05/80/704740580.db2.gz DCSWTENSDPVFMW-KRWDZBQOSA-N 2 0 348.495 1.018 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)CCC1 ZINC000997822456 704742177 /nfs/dbraw/zinc/74/21/77/704742177.db2.gz DOOXOZTUDKWVSQ-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997830242 704748676 /nfs/dbraw/zinc/74/86/76/704748676.db2.gz FWOGZWXKFWWISO-GOSISDBHSA-N 2 0 345.491 1.453 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000997830267 704749203 /nfs/dbraw/zinc/74/92/03/704749203.db2.gz GSWPKCIVKPRGIT-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000997831433 704749505 /nfs/dbraw/zinc/74/95/05/704749505.db2.gz RTQOIXGRWCRKEX-KSSFIOAISA-N 2 0 345.491 1.706 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)[NH+](C)C ZINC000997844901 704758531 /nfs/dbraw/zinc/75/85/31/704758531.db2.gz RFQIOVIMWKFVMP-SFHVURJKSA-N 2 0 332.492 1.996 20 0 EDADRP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918980 704770395 /nfs/dbraw/zinc/77/03/95/704770395.db2.gz LXIAHQYFDOQLKL-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997860894 704771178 /nfs/dbraw/zinc/77/11/78/704771178.db2.gz NWSSGLKLMQYCGM-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)ncn1 ZINC000944920834 704773226 /nfs/dbraw/zinc/77/32/26/704773226.db2.gz WMPDRVDOAMAHOE-YOEHRIQHSA-N 2 0 331.464 1.207 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944945226 704798307 /nfs/dbraw/zinc/79/83/07/704798307.db2.gz QDINOOWHADVKHS-RDJZCZTQSA-N 2 0 346.475 1.513 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998009821 705179822 /nfs/dbraw/zinc/17/98/22/705179822.db2.gz ZCYLABYPGAXAEH-MSOLQXFVSA-N 2 0 337.508 1.414 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](CC)CC1 ZINC000998067456 705280291 /nfs/dbraw/zinc/28/02/91/705280291.db2.gz USFRAZVFILKJHB-VIHIWDAPSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083043 705311934 /nfs/dbraw/zinc/31/19/34/705311934.db2.gz UEGIHCSEPVJZSJ-SJLPKXTDSA-N 2 0 344.503 1.916 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998083571 705312393 /nfs/dbraw/zinc/31/23/93/705312393.db2.gz WGBRHGZTDSVOLO-HNNXBMFYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998083520 705312633 /nfs/dbraw/zinc/31/26/33/705312633.db2.gz VTMXCCRAPFKCHN-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998084077 705313758 /nfs/dbraw/zinc/31/37/58/705313758.db2.gz YZJLZNQMURNKNF-YJBOKZPZSA-N 2 0 330.476 1.608 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000998084529 705315355 /nfs/dbraw/zinc/31/53/55/705315355.db2.gz AIXUVMWQBSJXBW-HIFRSBDPSA-N 2 0 336.484 1.045 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)CC1 ZINC000998175580 705471048 /nfs/dbraw/zinc/47/10/48/705471048.db2.gz MGXMVYYBJVQRBE-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998215641 705536923 /nfs/dbraw/zinc/53/69/23/705536923.db2.gz CWPRMBPOEURZGY-INIZCTEOSA-N 2 0 348.491 1.907 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nc1 ZINC000998221638 705547224 /nfs/dbraw/zinc/54/72/24/705547224.db2.gz FFNNVVNNIWNETK-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)C1 ZINC001032627673 705736895 /nfs/dbraw/zinc/73/68/95/705736895.db2.gz DWKYGZPVZVZILS-WDSOQIARSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1cncc(CN2C[C@@H]3C[C@H]2CN3C(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC001032629749 705758204 /nfs/dbraw/zinc/75/82/04/705758204.db2.gz JSZKWWWQFWDSRP-ROUUACIJSA-N 2 0 342.487 1.907 20 0 EDADRP CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998550866 705987417 /nfs/dbraw/zinc/98/74/17/705987417.db2.gz PMMOYHKPIWGGMW-FAFZWHIHSA-N 2 0 344.503 1.926 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000998865631 706295192 /nfs/dbraw/zinc/29/51/92/706295192.db2.gz FUEPGCQYEBSFOB-DAWZGUTISA-N 2 0 345.491 1.738 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999035167 706450014 /nfs/dbraw/zinc/45/00/14/706450014.db2.gz IWKAFBUDVLVFAM-DQPZFDDXSA-N 2 0 348.495 1.015 20 0 EDADRP CC[C@@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000999152118 706580564 /nfs/dbraw/zinc/58/05/64/706580564.db2.gz IKFXXHLWMPOLRS-LSDHHAIUSA-N 2 0 338.496 1.095 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1)C1CC1 ZINC000999366979 706881214 /nfs/dbraw/zinc/88/12/14/706881214.db2.gz CZSJYFUMAHBRPV-CRAIPNDOSA-N 2 0 346.475 1.973 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999402990 706911471 /nfs/dbraw/zinc/91/14/71/706911471.db2.gz LTINZSQQQFSMMD-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC000999410557 706920226 /nfs/dbraw/zinc/92/02/26/706920226.db2.gz YUQPXYBSIZBRDK-NVPAJSRCSA-N 2 0 334.439 1.642 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)nn1C ZINC000999410345 706920370 /nfs/dbraw/zinc/92/03/70/706920370.db2.gz VMVJPMKPAIDRGD-BZOOQXSSSA-N 2 0 333.480 1.149 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2OC)C1)[NH+](C)C ZINC000999481182 706990096 /nfs/dbraw/zinc/99/00/96/706990096.db2.gz CTBCXYZMNBUPKO-HZPDHXFCSA-N 2 0 334.464 1.511 20 0 EDADRP CC(C)C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000999499346 706997392 /nfs/dbraw/zinc/99/73/92/706997392.db2.gz AYFQIPDNZDEVCD-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1)[NH+]1CCCCCC1 ZINC000999502889 707000483 /nfs/dbraw/zinc/00/04/83/707000483.db2.gz NPVMQXPTKXORBR-QQFBHYJXSA-N 2 0 348.495 1.159 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CCN(Cc2ccccn2)C1 ZINC001033295908 707404771 /nfs/dbraw/zinc/40/47/71/707404771.db2.gz OQNNXWOXRKBPGR-MOPGFXCFSA-N 2 0 342.487 1.989 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999838433 707410211 /nfs/dbraw/zinc/41/02/11/707410211.db2.gz WWRJCPMYUGTLIN-MNNVXMFVSA-N 2 0 343.471 1.748 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000999832191 707462668 /nfs/dbraw/zinc/46/26/68/707462668.db2.gz AAXIOXQORWLHTK-UHFFFAOYSA-N 2 0 342.896 1.971 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999876310 707523464 /nfs/dbraw/zinc/52/34/64/707523464.db2.gz LWQZJADWROUHND-GPANFISMSA-N 2 0 333.480 1.374 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999910303 707552859 /nfs/dbraw/zinc/55/28/59/707552859.db2.gz USOVPUZSUWJMBN-KZNAEPCWSA-N 2 0 331.460 1.395 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999973381 707586188 /nfs/dbraw/zinc/58/61/88/707586188.db2.gz KMCUTGULZLMYAG-DLBZAZTESA-N 2 0 347.507 1.623 20 0 EDADRP CC(C)=CC[NH+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[N@H+]3C)nn2)C1 ZINC000999960192 707623289 /nfs/dbraw/zinc/62/32/89/707623289.db2.gz CODBPDMDXILWCP-IRXDYDNUSA-N 2 0 346.479 1.202 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@H]3CC[NH+](C(C)C)C3)nn2)CC[N@@H+]1C ZINC000999985456 707655598 /nfs/dbraw/zinc/65/55/98/707655598.db2.gz CFCDFHSTNCZTSA-YESZJQIVSA-N 2 0 348.495 1.280 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999112 707682482 /nfs/dbraw/zinc/68/24/82/707682482.db2.gz WTTYZGSHZHMNQW-SJORKVTESA-N 2 0 346.479 1.035 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213538 707709386 /nfs/dbraw/zinc/70/93/86/707709386.db2.gz KVUREZIUKASZHF-CJNGLKHVSA-N 2 0 330.432 1.824 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(Cc2ccnn2C)C1 ZINC001033472730 707960784 /nfs/dbraw/zinc/96/07/84/707960784.db2.gz AZINJAJHLUGOGF-FUHWJXTLSA-N 2 0 347.507 1.716 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001000386326 708000636 /nfs/dbraw/zinc/00/06/36/708000636.db2.gz CSELNLBLRGELLT-GOSISDBHSA-N 2 0 347.507 1.275 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)CCC[N@H+](CCOC1CCC1)C2 ZINC001040530593 708054758 /nfs/dbraw/zinc/05/47/58/708054758.db2.gz CUASMPSEDQIGGE-HXUWFJFHSA-N 2 0 349.519 1.966 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005180064 708123146 /nfs/dbraw/zinc/12/31/46/708123146.db2.gz QEGRXVVMPRAOCW-SFHVURJKSA-N 2 0 330.476 1.907 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2ccns2)CC1 ZINC001005183394 708133606 /nfs/dbraw/zinc/13/36/06/708133606.db2.gz HWPLOTOMIXWGIT-MRXNPFEDSA-N 2 0 336.505 1.703 20 0 EDADRP Cc1cc(CN2CC=C(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001001450636 708152554 /nfs/dbraw/zinc/15/25/54/708152554.db2.gz LJJWFXXHJINWQY-OAHLLOKOSA-N 2 0 334.489 1.652 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001033531545 708154758 /nfs/dbraw/zinc/15/47/58/708154758.db2.gz LONYVDWZTRVUKX-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001001534954 708161775 /nfs/dbraw/zinc/16/17/75/708161775.db2.gz OENGLTSDTRUFGF-GOSISDBHSA-N 2 0 345.491 1.598 20 0 EDADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757557 708281200 /nfs/dbraw/zinc/28/12/00/708281200.db2.gz VLFBQAWVISHMJJ-FUHWJXTLSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)NCC2CC[NH+](CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001001869064 708378501 /nfs/dbraw/zinc/37/85/01/708378501.db2.gz HEOABGRFQWUTIN-MOPGFXCFSA-N 2 0 345.487 1.152 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cs1 ZINC001033654353 708421970 /nfs/dbraw/zinc/42/19/70/708421970.db2.gz AJEQVVBAIVLLGU-ZBFHGGJFSA-N 2 0 336.505 1.478 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001033663858 708444820 /nfs/dbraw/zinc/44/48/20/708444820.db2.gz ABLKPKAYNZOFAX-QGZVFWFLSA-N 2 0 349.450 1.833 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033658822 708469812 /nfs/dbraw/zinc/46/98/12/708469812.db2.gz UWDQHYNLJXUQJE-IBGZPJMESA-N 2 0 344.503 1.881 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001033660562 708473381 /nfs/dbraw/zinc/47/33/81/708473381.db2.gz IGICCEMSTMAWQC-RDJZCZTQSA-N 2 0 349.450 1.689 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684340 708496284 /nfs/dbraw/zinc/49/62/84/708496284.db2.gz MXICVSBGJRVAPH-MAUKXSAKSA-N 2 0 333.476 1.929 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684342 708496809 /nfs/dbraw/zinc/49/68/09/708496809.db2.gz MXICVSBGJRVAPH-YJBOKZPZSA-N 2 0 333.476 1.929 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001002047385 708537955 /nfs/dbraw/zinc/53/79/55/708537955.db2.gz XOWMPQMBOVLQSL-IRXDYDNUSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC001002042693 708564231 /nfs/dbraw/zinc/56/42/31/708564231.db2.gz GHKHSBUHIUCIJG-WMZOPIPTSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@H](C(N)=O)[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001002143758 708657416 /nfs/dbraw/zinc/65/74/16/708657416.db2.gz BVAWVMJDPQDNPN-CQSZACIVSA-N 2 0 346.475 1.064 20 0 EDADRP C[C@H](O)C[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001005392061 708865803 /nfs/dbraw/zinc/86/58/03/708865803.db2.gz WGGCLLLOVHNJAR-HNNXBMFYSA-N 2 0 325.497 1.555 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033855408 708918100 /nfs/dbraw/zinc/91/81/00/708918100.db2.gz KBDHVUWLARHOGF-DLBZAZTESA-N 2 0 325.497 1.270 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC001002480047 709030343 /nfs/dbraw/zinc/03/03/43/709030343.db2.gz LJQMEBARZAUAHC-SFHVURJKSA-N 2 0 330.476 1.873 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032826907 709207844 /nfs/dbraw/zinc/20/78/44/709207844.db2.gz KQNLDELVEWRSEV-GBESFXJTSA-N 2 0 345.487 1.785 20 0 EDADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001034011975 709225209 /nfs/dbraw/zinc/22/52/09/709225209.db2.gz LBGSYAQMRZEEOC-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP Cc1noc(CCC[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034132920 709402884 /nfs/dbraw/zinc/40/28/84/709402884.db2.gz VBZAOFCMRCABNT-HZPDHXFCSA-N 2 0 349.479 1.376 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cn1 ZINC001002801545 709415683 /nfs/dbraw/zinc/41/56/83/709415683.db2.gz JIWNGYQTISPDJG-AEFFLSMTSA-N 2 0 345.491 1.375 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002832234 709443326 /nfs/dbraw/zinc/44/33/26/709443326.db2.gz LHDVRENLYSABIS-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCn2cccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034212969 709564596 /nfs/dbraw/zinc/56/45/96/709564596.db2.gz SMYIGDSWPKTRRQ-MSOLQXFVSA-N 2 0 345.491 1.196 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002954615 709655116 /nfs/dbraw/zinc/65/51/16/709655116.db2.gz GFMZEZQHGWRNFD-SFHVURJKSA-N 2 0 347.507 1.418 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034341060 709779524 /nfs/dbraw/zinc/77/95/24/709779524.db2.gz ZIKCEJVDSZYSLL-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cc(CN2CCCC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)C2)ncn1 ZINC001034399021 709941077 /nfs/dbraw/zinc/94/10/77/709941077.db2.gz QYVWEQRMFACBSC-SJORKVTESA-N 2 0 345.491 1.740 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400246 709943734 /nfs/dbraw/zinc/94/37/34/709943734.db2.gz XEVDONHFWQVIFD-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034401419 709946673 /nfs/dbraw/zinc/94/66/73/709946673.db2.gz JBDIDTZQKXBGQW-WMZOPIPTSA-N 2 0 330.476 1.894 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003158261 710066186 /nfs/dbraw/zinc/06/61/86/710066186.db2.gz FRXBJBSTRBATMZ-QGZVFWFLSA-N 2 0 333.480 1.028 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)c1ccn2c[nH+]cc2c1 ZINC001003250048 710172739 /nfs/dbraw/zinc/17/27/39/710172739.db2.gz FHVIJOLNOJGDRA-UHFFFAOYSA-N 2 0 338.415 1.425 20 0 EDADRP Cc1noc(CCC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525689 710176135 /nfs/dbraw/zinc/17/61/35/710176135.db2.gz OUHWFFKKHHBDSZ-HZPDHXFCSA-N 2 0 349.479 1.233 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034611982 710286594 /nfs/dbraw/zinc/28/65/94/710286594.db2.gz NXGIPMAFXDJLRI-BRWVUGGUSA-N 2 0 333.480 1.340 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCO[C@@H]3CC3(F)F)C2)CC[N@@H+]1C ZINC001032840115 710289347 /nfs/dbraw/zinc/28/93/47/710289347.db2.gz SVPLIYPGUZRPRV-BYNSBNAKSA-N 2 0 345.434 1.331 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034642178 710317661 /nfs/dbraw/zinc/31/76/61/710317661.db2.gz AWAIFHUTTSORNG-BQFCYCMXSA-N 2 0 347.507 1.810 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003484025 710378366 /nfs/dbraw/zinc/37/83/66/710378366.db2.gz UVBJLDYFZMJPCG-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC001003547895 710414070 /nfs/dbraw/zinc/41/40/70/710414070.db2.gz ORNPGCLOAPVGNJ-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](CCn2cccn2)CC1)[NH+]1CCCCCC1 ZINC001003734961 710517006 /nfs/dbraw/zinc/51/70/06/710517006.db2.gz FFCNLWXJUWABIZ-QGZVFWFLSA-N 2 0 347.507 1.728 20 0 EDADRP COC(=O)COc1ccccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000922273309 710563255 /nfs/dbraw/zinc/56/32/55/710563255.db2.gz DWWHHHSNCGCWJG-UHFFFAOYSA-N 2 0 349.475 1.308 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034675323 710627624 /nfs/dbraw/zinc/62/76/24/710627624.db2.gz ZNJSPYVTHDWDTJ-IIAWOOMASA-N 2 0 335.452 1.379 20 0 EDADRP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1)OC ZINC001005592391 710638851 /nfs/dbraw/zinc/63/88/51/710638851.db2.gz LOYLDXRQHMZART-DLBZAZTESA-N 2 0 325.497 1.819 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034734969 710918551 /nfs/dbraw/zinc/91/85/51/710918551.db2.gz CTUFIQCLPDSEEU-MGPQQGTHSA-N 2 0 337.493 1.539 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034734977 710918673 /nfs/dbraw/zinc/91/86/73/710918673.db2.gz CYFJTKJJULYCDS-KBAYOESNSA-N 2 0 347.507 1.464 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC001034735704 710922333 /nfs/dbraw/zinc/92/23/33/710922333.db2.gz MJLOFDORUCVTBX-BRWVUGGUSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034737496 710950384 /nfs/dbraw/zinc/95/03/84/710950384.db2.gz JWNUCCUMDKUOIY-RZLSGREXSA-N 2 0 336.505 1.858 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC001034737796 710950868 /nfs/dbraw/zinc/95/08/68/710950868.db2.gz MVXPDLFBIJQLSH-OWIUFQIYSA-N 2 0 347.507 1.443 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034738490 710954354 /nfs/dbraw/zinc/95/43/54/710954354.db2.gz TWIRPITUAKSYJP-PILAGYSTSA-N 2 0 348.466 1.935 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)CC1 ZINC001034768509 711027597 /nfs/dbraw/zinc/02/75/97/711027597.db2.gz HICRLPVWRJKKIR-XIRDDKMYSA-N 2 0 325.497 1.505 20 0 EDADRP CNC(=O)[C@@H](C)[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005714460 711102643 /nfs/dbraw/zinc/10/26/43/711102643.db2.gz RLRRVIWHLQWUBE-CYBMUJFWSA-N 2 0 343.431 1.005 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001034794218 711110275 /nfs/dbraw/zinc/11/02/75/711110275.db2.gz BIVSBOWMACXDHD-WKILWMFISA-N 2 0 346.475 1.703 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC1)C(N)=O ZINC001034795483 711113427 /nfs/dbraw/zinc/11/34/27/711113427.db2.gz JJEXWHVWWZBUKU-BPUTZDHNSA-N 2 0 346.475 1.253 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003969403 711116015 /nfs/dbraw/zinc/11/60/15/711116015.db2.gz WWKNNKLRXHNKCB-FUHWJXTLSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792154 711118770 /nfs/dbraw/zinc/11/87/70/711118770.db2.gz GFMZAWJDVVNYMM-NMFUWQPSSA-N 2 0 334.468 1.143 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC001034810276 711170686 /nfs/dbraw/zinc/17/06/86/711170686.db2.gz CULDYHRDMJDWAL-MSOLQXFVSA-N 2 0 331.460 1.523 20 0 EDADRP COc1nscc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034885241 711289860 /nfs/dbraw/zinc/28/98/60/711289860.db2.gz RCTHMUHENIRMQI-ZIAGYGMSSA-N 2 0 338.477 1.327 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cn2)CCC1 ZINC001034956508 711426476 /nfs/dbraw/zinc/42/64/76/711426476.db2.gz ABUFYDIASPTLAL-MRXNPFEDSA-N 2 0 334.439 1.786 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939464 711442391 /nfs/dbraw/zinc/44/23/91/711442391.db2.gz BIVRESHOVVHFKR-DJIMGWMZSA-N 2 0 346.475 1.511 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)n2)CC[N@@H+]1C ZINC001034940955 711445168 /nfs/dbraw/zinc/44/51/68/711445168.db2.gz IGSKQLIHPLCPRV-IXDOHACOSA-N 2 0 333.480 1.231 20 0 EDADRP COCc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004146700 711557738 /nfs/dbraw/zinc/55/77/38/711557738.db2.gz ZXQQHGZUBJXXJA-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)C2)[C@H]1C(C)C ZINC000922482571 711610020 /nfs/dbraw/zinc/61/00/20/711610020.db2.gz KFTRHJMDFFEYMA-CWIFOLKKSA-N 2 0 340.512 1.106 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033126424 711889759 /nfs/dbraw/zinc/88/97/59/711889759.db2.gz NBFIZOMGWHWGCY-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033139663 711935801 /nfs/dbraw/zinc/93/58/01/711935801.db2.gz HQYOGNIWPGYCSX-IRXDYDNUSA-N 2 0 341.471 1.522 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1)[NH+](C)C ZINC001004539596 711963753 /nfs/dbraw/zinc/96/37/53/711963753.db2.gz LRMGNFGFCJBVQC-IAGOWNOFSA-N 2 0 325.497 1.268 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033147403 712040471 /nfs/dbraw/zinc/04/04/71/712040471.db2.gz WWPUIFPPYXHYHU-QZTJIDSGSA-N 2 0 347.507 1.679 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2CC1)[NH+](C)C ZINC000946642972 712129986 /nfs/dbraw/zinc/12/99/86/712129986.db2.gz XUPVVXHEMQSKQX-SOLBZPMBSA-N 2 0 347.507 1.431 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](CC)OC)C[C@H]2CC1)[NH+](C)C ZINC000946642941 712130124 /nfs/dbraw/zinc/13/01/24/712130124.db2.gz WZTRTQWRRUCYJJ-XWTMOSNGSA-N 2 0 339.524 1.922 20 0 EDADRP Cn1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424131243 282082394 /nfs/dbraw/zinc/08/23/94/282082394.db2.gz ITKQEEIEMWNURY-HNNXBMFYSA-N 2 0 333.480 1.301 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000056184934 214364335 /nfs/dbraw/zinc/36/43/35/214364335.db2.gz OKRGVECEBGKMOE-CQSZACIVSA-N 2 0 334.464 1.852 20 0 EDADRP Cc1cc(C)cc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000558584419 306240322 /nfs/dbraw/zinc/24/03/22/306240322.db2.gz JVFQBHNJVKBCTR-UHFFFAOYSA-N 2 0 341.521 1.558 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCNC(=O)C(F)(F)F ZINC000378439063 282215839 /nfs/dbraw/zinc/21/58/39/282215839.db2.gz ZPKVKFKCLBLLOP-UPJWGTAASA-N 2 0 337.386 1.239 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558722703 306245918 /nfs/dbraw/zinc/24/59/18/306245918.db2.gz OIKMTBQXGQSMGE-HRCADAONSA-N 2 0 343.537 1.511 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccsc1 ZINC000269229491 282246890 /nfs/dbraw/zinc/24/68/90/282246890.db2.gz HPNMIEGEPXSGBW-OAHLLOKOSA-N 2 0 348.476 1.297 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000561046263 306281780 /nfs/dbraw/zinc/28/17/80/306281780.db2.gz VACWTQMGCUSDQA-UHFFFAOYSA-N 2 0 346.475 1.907 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000561193887 306284187 /nfs/dbraw/zinc/28/41/87/306284187.db2.gz SEQQHJMSDMZZEV-QSOKESPWSA-N 2 0 331.435 1.635 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000342982662 539770243 /nfs/dbraw/zinc/77/02/43/539770243.db2.gz FBVNCDRJHZGNGP-QQFBHYJXSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C2CC2)cc1 ZINC000562543731 306301873 /nfs/dbraw/zinc/30/18/73/306301873.db2.gz AEJHGHAEJDSTDH-UHFFFAOYSA-N 2 0 339.505 1.678 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1cccc2c[nH]nc21)N1CC[NH2+]CC1 ZINC000562748541 306307729 /nfs/dbraw/zinc/30/77/29/306307729.db2.gz HCBKBRINCNRHLS-ZDUSSCGKSA-N 2 0 327.354 1.489 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000562808605 306309964 /nfs/dbraw/zinc/30/99/64/306309964.db2.gz DYIOERSDYZSDEF-HOCLYGCPSA-N 2 0 331.464 1.738 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000563270974 306325743 /nfs/dbraw/zinc/32/57/43/306325743.db2.gz HYPFFLDGUMZXLB-KRWDZBQOSA-N 2 0 339.505 1.089 20 0 EDADRP C[NH2+]C[C@](C)(O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000563270831 306325841 /nfs/dbraw/zinc/32/58/41/306325841.db2.gz BZKLZZYNJROHQV-IBGZPJMESA-N 3 0 340.556 1.085 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000063767784 138169181 /nfs/dbraw/zinc/16/91/81/138169181.db2.gz FPHYEBHDIHHNAX-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000066987483 138183537 /nfs/dbraw/zinc/18/35/37/138183537.db2.gz MPRQISMSLHTWKS-UHFFFAOYSA-N 2 0 332.492 1.944 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000360886072 283182282 /nfs/dbraw/zinc/18/22/82/283182282.db2.gz FMHSRVAGBFIUAO-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000249861604 535322707 /nfs/dbraw/zinc/32/27/07/535322707.db2.gz ALEPCXCUQFTWGK-DLBZAZTESA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000563559515 306338850 /nfs/dbraw/zinc/33/88/50/306338850.db2.gz ROJKEPPMSRIIIZ-KZNAEPCWSA-N 2 0 330.476 1.936 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000563586109 306339977 /nfs/dbraw/zinc/33/99/77/306339977.db2.gz FGYPRTWJSVRKHB-HZPDHXFCSA-N 2 0 326.485 1.032 20 0 EDADRP Cc1ccc2ncc(C[NH+]3CCC(C(=O)NCC[NH+](C)C)CC3)n2c1 ZINC000092615912 138289836 /nfs/dbraw/zinc/28/98/36/138289836.db2.gz FLXLDVRAKIKZRG-UHFFFAOYSA-N 2 0 343.475 1.533 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107844942 138304696 /nfs/dbraw/zinc/30/46/96/138304696.db2.gz YSNAXFWSYYDLNT-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000563601386 306341327 /nfs/dbraw/zinc/34/13/27/306341327.db2.gz AHVNDGUXDNHCJE-SFHVURJKSA-N 2 0 338.496 1.415 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1([NH+](C)C)CCC1 ZINC000186948710 236074625 /nfs/dbraw/zinc/07/46/25/236074625.db2.gz ZGCVTRWZPMRNGL-GOSISDBHSA-N 2 0 346.519 1.822 20 0 EDADRP COc1ccc(COC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000564203051 306356782 /nfs/dbraw/zinc/35/67/82/306356782.db2.gz BQDLSQKMDNKOEQ-FUHWJXTLSA-N 2 0 336.476 1.894 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321460 306358358 /nfs/dbraw/zinc/35/83/58/306358358.db2.gz KZFGMBKIUOUPND-LSDHHAIUSA-N 2 0 336.432 1.477 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000413826592 304078545 /nfs/dbraw/zinc/07/85/45/304078545.db2.gz ARBZUGWQZLZJIL-KRWDZBQOSA-N 2 0 336.455 1.993 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC)C2)C[C@H]1CC ZINC000413829863 304079167 /nfs/dbraw/zinc/07/91/67/304079167.db2.gz FMJQCSJGDVVIAY-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000564727318 306364105 /nfs/dbraw/zinc/36/41/05/306364105.db2.gz ZQUDUTRMNHSLPY-XYJFISCASA-N 2 0 348.491 1.703 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792199 296000908 /nfs/dbraw/zinc/00/09/08/296000908.db2.gz QXSAGPJINUDPNU-ZWKOTPCHSA-N 2 0 338.540 1.293 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000414184911 304104650 /nfs/dbraw/zinc/10/46/50/304104650.db2.gz GAPSMXNZVZGNSS-QZTJIDSGSA-N 3 0 338.540 1.103 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565823081 306392142 /nfs/dbraw/zinc/39/21/42/306392142.db2.gz KHGUPCQJTWQCIQ-JZXOWHBKSA-N 2 0 330.476 1.890 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1 ZINC000565830489 306392684 /nfs/dbraw/zinc/39/26/84/306392684.db2.gz FVXZVTATZDXXEL-WQVCFCJDSA-N 2 0 334.439 1.492 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cc1 ZINC000414712857 304131757 /nfs/dbraw/zinc/13/17/57/304131757.db2.gz VKZJEIBKDZSUAN-CABCVRRESA-N 2 0 346.475 1.724 20 0 EDADRP CN(C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749230 304137038 /nfs/dbraw/zinc/13/70/38/304137038.db2.gz VTZOXTYLPLKNLB-KRWDZBQOSA-N 2 0 338.540 1.770 20 0 EDADRP C[C@]1(c2ccc(F)cc2)CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414748091 304136725 /nfs/dbraw/zinc/13/67/25/304136725.db2.gz UCNZXZBDKKWBIQ-BEFAXECRSA-N 2 0 333.451 1.986 20 0 EDADRP COc1cc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1 ZINC000414760114 304137914 /nfs/dbraw/zinc/13/79/14/304137914.db2.gz XVIXJMHEJGWXPG-KBPBESRZSA-N 2 0 335.448 1.962 20 0 EDADRP COc1cc(Br)ccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779736 304139840 /nfs/dbraw/zinc/13/98/40/304139840.db2.gz KCBGCXPDAIITAK-UHFFFAOYSA-N 2 0 342.281 1.843 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414785349 304140653 /nfs/dbraw/zinc/14/06/53/304140653.db2.gz SMVCNVVQUWZAHM-IAGOWNOFSA-N 2 0 348.491 1.885 20 0 EDADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414841602 304146808 /nfs/dbraw/zinc/14/68/08/304146808.db2.gz YIVMBUGONLUPEV-MAUKXSAKSA-N 3 0 332.492 1.597 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000566733714 306426839 /nfs/dbraw/zinc/42/68/39/306426839.db2.gz HCZQLEVQISAXJH-MBOZVWFJSA-N 2 0 349.519 1.350 20 0 EDADRP CC(=O)Nc1ccccc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995306 304149095 /nfs/dbraw/zinc/14/90/95/304149095.db2.gz WGVQHPQFJNWALQ-OAHLLOKOSA-N 2 0 344.381 1.571 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[N@@H+]1C ZINC000415029782 304152468 /nfs/dbraw/zinc/15/24/68/304152468.db2.gz BNFUTDIVILSBAP-SMDDNHRTSA-N 2 0 348.422 1.009 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000415039115 304153528 /nfs/dbraw/zinc/15/35/28/304153528.db2.gz IUEKOVOWQQHOOF-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415045091 304154192 /nfs/dbraw/zinc/15/41/92/304154192.db2.gz TUCJDTZCXWIBGT-ZENOOKHLSA-N 2 0 333.432 1.907 20 0 EDADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415075073 304157734 /nfs/dbraw/zinc/15/77/34/304157734.db2.gz AZAMNZVXSOAKIT-HLLBOEOZSA-N 2 0 325.497 1.615 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415116397 304161303 /nfs/dbraw/zinc/16/13/03/304161303.db2.gz YBWIFWDLOWFQRC-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415118126 304161320 /nfs/dbraw/zinc/16/13/20/304161320.db2.gz DRMZKIBYGSBYAU-INIZCTEOSA-N 2 0 329.404 1.361 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000415139044 304163622 /nfs/dbraw/zinc/16/36/22/304163622.db2.gz HSKAIYYJPPGRHE-BBRMVZONSA-N 2 0 330.432 1.040 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)[nH+]1 ZINC000195516189 139019064 /nfs/dbraw/zinc/01/90/64/139019064.db2.gz HCDREKWMVOZUJD-BBWFWOEESA-N 2 0 346.475 1.760 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)c1 ZINC000415153205 304166143 /nfs/dbraw/zinc/16/61/43/304166143.db2.gz CMMBDIUDHQTQHK-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)[C@H](C)CC(C)C)CC1 ZINC000451989341 305376623 /nfs/dbraw/zinc/37/66/23/305376623.db2.gz QDDAFPBKXPRRPD-QGZVFWFLSA-N 2 0 340.556 1.885 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000237202314 139043854 /nfs/dbraw/zinc/04/38/54/139043854.db2.gz LTKFIWSSMAWRMS-INIZCTEOSA-N 2 0 333.476 1.771 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237602525 139055433 /nfs/dbraw/zinc/05/54/33/139055433.db2.gz CJHYMDLFRRHHLA-HOTGVXAUSA-N 2 0 337.508 1.996 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000237894730 139063116 /nfs/dbraw/zinc/06/31/16/139063116.db2.gz VEDFTJAGGVZOOS-SFHVURJKSA-N 2 0 331.460 1.536 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000237901876 139063332 /nfs/dbraw/zinc/06/33/32/139063332.db2.gz AJYXSDQTUHELDH-MOPGFXCFSA-N 2 0 345.487 1.436 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCc2cccc(OCCN3CCOCC3)c2)C1 ZINC000237962855 139065254 /nfs/dbraw/zinc/06/52/54/139065254.db2.gz DTHXGKMBQMINGH-DLBZAZTESA-N 2 0 347.459 1.141 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC([NH2+]C(C)C)CC2)CC1 ZINC000111841963 220205469 /nfs/dbraw/zinc/20/54/69/220205469.db2.gz YDTPFFMFYSYXIM-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000111841996 220205521 /nfs/dbraw/zinc/20/55/21/220205521.db2.gz USZSBYMBTTYGOV-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000245541604 139078515 /nfs/dbraw/zinc/07/85/15/139078515.db2.gz KXAWRSYHIKJLHW-BBWFWOEESA-N 2 0 343.475 1.929 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@H]([NH3+])C3)ccc21 ZINC000415271733 304182404 /nfs/dbraw/zinc/18/24/04/304182404.db2.gz OQOWHEKOVIKXIG-XJKSGUPXSA-N 2 0 330.432 1.124 20 0 EDADRP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000245865842 139087896 /nfs/dbraw/zinc/08/78/96/139087896.db2.gz FJOOAAACGUSLNZ-SOLBZPMBSA-N 2 0 331.460 1.438 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N3CC[NH2+]CC3)c2C1 ZINC000415287220 304185854 /nfs/dbraw/zinc/18/58/54/304185854.db2.gz WTBDFCDVHNCWES-AWEZNQCLSA-N 2 0 344.459 1.417 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000246427859 139107885 /nfs/dbraw/zinc/10/78/85/139107885.db2.gz MNPLIRBWHBFZKH-KFWWJZLASA-N 2 0 337.468 1.236 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246518709 139111634 /nfs/dbraw/zinc/11/16/34/139111634.db2.gz IWBCWQJZEFUCLE-IIDMSEBBSA-N 2 0 342.528 1.355 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418435380 299466511 /nfs/dbraw/zinc/46/65/11/299466511.db2.gz WHWLLSRZJMFRRQ-XIRDDKMYSA-N 2 0 340.512 1.238 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000246962786 139128750 /nfs/dbraw/zinc/12/87/50/139128750.db2.gz IEDJNPWTPLNFOD-HOCLYGCPSA-N 2 0 332.448 1.331 20 0 EDADRP C[C@@H]1CC[N@H+](CCCN2C(=O)NC(C)(C)C2=O)C[C@H]1n1ccnc1 ZINC000246942914 139127962 /nfs/dbraw/zinc/12/79/62/139127962.db2.gz BZYNBCQJKHHKDU-ZIAGYGMSSA-N 2 0 333.436 1.487 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167395644 284592620 /nfs/dbraw/zinc/59/26/20/284592620.db2.gz ILARYKVOPFWEBT-VQIMIIECSA-N 2 0 343.471 1.272 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000415360972 304203892 /nfs/dbraw/zinc/20/38/92/304203892.db2.gz MKTMQWBVTFVFMR-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000247400438 139147470 /nfs/dbraw/zinc/14/74/70/139147470.db2.gz LKWPRWSTKXDHSV-HOTGVXAUSA-N 2 0 348.491 1.872 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000247484610 139150230 /nfs/dbraw/zinc/15/02/30/139150230.db2.gz KIIYPBFUVXPBDS-YESZJQIVSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(-n3cccn3)cc2)C1 ZINC000261622146 139211998 /nfs/dbraw/zinc/21/19/98/139211998.db2.gz GFBZPSXLBOTUIM-MRXNPFEDSA-N 2 0 327.432 1.159 20 0 EDADRP COc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261742995 139222333 /nfs/dbraw/zinc/22/23/33/139222333.db2.gz SXWTXTXZSBVPGU-SFHVURJKSA-N 2 0 331.460 1.775 20 0 EDADRP c1[nH]nc2cc(C[NH+]3CCC(c4nnc5n4CCNC5)CC3)ccc12 ZINC000261756586 139223596 /nfs/dbraw/zinc/22/35/96/139223596.db2.gz NWGUJOAZXRJKFY-UHFFFAOYSA-N 2 0 337.431 1.637 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000261745666 139222583 /nfs/dbraw/zinc/22/25/83/139222583.db2.gz GXJKVZNBFNFOIL-KRWDZBQOSA-N 2 0 345.487 1.649 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000261778464 139225204 /nfs/dbraw/zinc/22/52/04/139225204.db2.gz MVNKCCHTHXFGCF-CABCVRRESA-N 2 0 334.420 1.022 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000261817730 139228636 /nfs/dbraw/zinc/22/86/36/139228636.db2.gz HNQJEEPRZIBAPK-HNNXBMFYSA-N 2 0 331.460 1.972 20 0 EDADRP COCC1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000333635643 284818275 /nfs/dbraw/zinc/81/82/75/284818275.db2.gz HHQHZLJZBBULAJ-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000261892837 139234752 /nfs/dbraw/zinc/23/47/52/139234752.db2.gz GSBAFFZNVYUTHJ-UHFFFAOYSA-N 2 0 327.432 1.710 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000261867841 139232628 /nfs/dbraw/zinc/23/26/28/139232628.db2.gz KZNXUFDXWQHVNW-CYBMUJFWSA-N 2 0 337.851 1.562 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000261866595 139232713 /nfs/dbraw/zinc/23/27/13/139232713.db2.gz RWPLOSPOUWAXMA-HUUCEWRRSA-N 2 0 340.265 1.820 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@](C)(C[NH3+])C3)cc2)CC1 ZINC000262110708 139251704 /nfs/dbraw/zinc/25/17/04/139251704.db2.gz VPQJENWHFLRZMB-IBGZPJMESA-N 2 0 330.476 1.639 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000414958346 250902393 /nfs/dbraw/zinc/90/23/93/250902393.db2.gz WPSSFCCESGIGTK-VBNZEHGJSA-N 2 0 332.448 1.634 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NCCCN1CC[NH2+]CC1 ZINC000415565433 251017628 /nfs/dbraw/zinc/01/76/28/251017628.db2.gz IJIIUHHECVWPRZ-UHFFFAOYSA-N 2 0 333.480 1.208 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000415944767 251036468 /nfs/dbraw/zinc/03/64/68/251036468.db2.gz PWKNTWBMXYFZIF-OAHLLOKOSA-N 2 0 348.491 1.963 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416009535 251046082 /nfs/dbraw/zinc/04/60/82/251046082.db2.gz PIQJOTHDJMBFFF-RYUDHWBXSA-N 2 0 340.390 1.018 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000415572093 304228596 /nfs/dbraw/zinc/22/85/96/304228596.db2.gz MXNPQLHWMMDJPL-ZBFHGGJFSA-N 2 0 346.475 1.663 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000262279679 139266123 /nfs/dbraw/zinc/26/61/23/139266123.db2.gz KOWOEEHYHYVIIA-SJORKVTESA-N 2 0 336.524 1.570 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000415573601 304229095 /nfs/dbraw/zinc/22/90/95/304229095.db2.gz QEBXUKYWSNZPRR-LJQANCHMSA-N 2 0 346.475 1.235 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417015921 251131813 /nfs/dbraw/zinc/13/18/13/251131813.db2.gz NGXYRZNYTYJOAC-YHUYYLMFSA-N 2 0 326.485 1.255 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCC[NH2+]1 ZINC000417019017 251134905 /nfs/dbraw/zinc/13/49/05/251134905.db2.gz KXPRPXNHSBRYPX-QGZVFWFLSA-N 2 0 345.491 1.250 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417019748 251135312 /nfs/dbraw/zinc/13/53/12/251135312.db2.gz LTMCWKIZMBERQP-INIZCTEOSA-N 2 0 333.480 1.235 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000416999666 251124545 /nfs/dbraw/zinc/12/45/45/251124545.db2.gz XWXOWXPZYZHGAA-GJZGRUSLSA-N 2 0 336.480 1.942 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000417004017 251126189 /nfs/dbraw/zinc/12/61/89/251126189.db2.gz HPFMENJKPVOZBQ-MSOLQXFVSA-N 2 0 332.492 1.976 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000417317098 251156480 /nfs/dbraw/zinc/15/64/80/251156480.db2.gz VNYCGIMCMKYYNZ-HKUYNNGSSA-N 2 0 330.476 1.993 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000417318020 251157507 /nfs/dbraw/zinc/15/75/07/251157507.db2.gz XVJRMNWJOBXCJF-CQSZACIVSA-N 2 0 336.436 1.046 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000417405367 251162562 /nfs/dbraw/zinc/16/25/62/251162562.db2.gz QDHZQXDLMSEBJQ-AWEZNQCLSA-N 2 0 328.407 1.920 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417555126 251186691 /nfs/dbraw/zinc/18/66/91/251186691.db2.gz XMRNPGPGOIGVRL-SFHVURJKSA-N 2 0 348.491 1.426 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417595553 251201580 /nfs/dbraw/zinc/20/15/80/251201580.db2.gz XTBXEFUWWOSRBJ-NJAFHUGGSA-N 2 0 330.476 1.758 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000417597105 251201698 /nfs/dbraw/zinc/20/16/98/251201698.db2.gz SEYVFNSSSFRMOC-QGZVFWFLSA-N 2 0 346.475 1.665 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](NC)c2cnn(C)c2)c1 ZINC000262413942 139277485 /nfs/dbraw/zinc/27/74/85/139277485.db2.gz QXLVJWPVZOMXCC-QGZVFWFLSA-N 2 0 329.448 1.449 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000417673158 251222657 /nfs/dbraw/zinc/22/26/57/251222657.db2.gz VKCFCUQXMAGBNA-BBWFWOEESA-N 2 0 340.512 1.422 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)CC2)nc1 ZINC000417722014 251242822 /nfs/dbraw/zinc/24/28/22/251242822.db2.gz AVLFHEMJYXQXQI-HUUCEWRRSA-N 2 0 331.464 1.751 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417754929 251256573 /nfs/dbraw/zinc/25/65/73/251256573.db2.gz QJSCRQTVFJUKGD-HZPDHXFCSA-N 2 0 327.517 1.077 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417827097 251286207 /nfs/dbraw/zinc/28/62/07/251286207.db2.gz CTCUJZIIOQROIG-INIZCTEOSA-N 2 0 346.475 1.299 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417830028 251288683 /nfs/dbraw/zinc/28/86/83/251288683.db2.gz AUJLDZULNTZTSB-INIZCTEOSA-N 2 0 340.512 1.696 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000417830457 251288947 /nfs/dbraw/zinc/28/89/47/251288947.db2.gz GYSHREXESDUDOW-JKSUJKDBSA-N 2 0 346.475 1.427 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417833759 251289764 /nfs/dbraw/zinc/28/97/64/251289764.db2.gz URDZFLWFRIUCIZ-JLSDUUJJSA-N 2 0 330.476 1.934 20 0 EDADRP CCC[NH2+]CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417834162 251290402 /nfs/dbraw/zinc/29/04/02/251290402.db2.gz FPABITGBUCFCIV-UHFFFAOYSA-N 2 0 340.512 1.568 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000417846440 251295103 /nfs/dbraw/zinc/29/51/03/251295103.db2.gz JHGSSXKBVUKTGT-QGZVFWFLSA-N 2 0 333.480 1.789 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000417846437 251295545 /nfs/dbraw/zinc/29/55/45/251295545.db2.gz JHGSSXKBVUKTGT-KRWDZBQOSA-N 2 0 333.480 1.789 20 0 EDADRP CCCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000417808372 251279123 /nfs/dbraw/zinc/27/91/23/251279123.db2.gz LJNOHWSMAASRAH-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000417821253 251282637 /nfs/dbraw/zinc/28/26/37/251282637.db2.gz IJLSDPZHPOXACJ-GOSISDBHSA-N 2 0 334.439 1.653 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418105959 251323629 /nfs/dbraw/zinc/32/36/29/251323629.db2.gz MGVXLHVZQONVRY-PKSQDBQZSA-N 2 0 336.402 1.686 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H](C)C2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000262526673 139284350 /nfs/dbraw/zinc/28/43/50/139284350.db2.gz LLGBGPPIEHXWBQ-RDTXWAMCSA-N 2 0 331.460 1.804 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2)c1 ZINC000262530814 139284672 /nfs/dbraw/zinc/28/46/72/139284672.db2.gz NJBMBKRBZIZNBV-MSOLQXFVSA-N 2 0 346.519 1.997 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000418408119 251365985 /nfs/dbraw/zinc/36/59/85/251365985.db2.gz UEGFCXFNQJKHQP-GVDBMIGSSA-N 2 0 332.448 1.177 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)CCCC[NH3+])CC2)c1 ZINC000418711150 251392370 /nfs/dbraw/zinc/39/23/70/251392370.db2.gz VTUVOYVRQJSFCC-CQSZACIVSA-N 2 0 335.452 1.439 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418722086 251397055 /nfs/dbraw/zinc/39/70/55/251397055.db2.gz LCYYITSPQSUGJW-SJORKVTESA-N 2 0 347.507 1.181 20 0 EDADRP COCC1(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[NH2+]CC1 ZINC000418639596 251382120 /nfs/dbraw/zinc/38/21/20/251382120.db2.gz NAVZNGLSFFFOPW-KRWDZBQOSA-N 2 0 346.475 1.189 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)c1 ZINC000262684278 139296247 /nfs/dbraw/zinc/29/62/47/139296247.db2.gz ZSQVXPHXRZMPDT-HZPDHXFCSA-N 2 0 346.475 1.824 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262695475 139297055 /nfs/dbraw/zinc/29/70/55/139297055.db2.gz DDSSIJNPPMRKMY-IBGZPJMESA-N 2 0 348.491 1.769 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262789496 139303725 /nfs/dbraw/zinc/30/37/25/139303725.db2.gz MWHJYHGLZKGTAC-ZIAGYGMSSA-N 2 0 336.455 1.882 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262853921 139308115 /nfs/dbraw/zinc/30/81/15/139308115.db2.gz VQHREUPYOAQEBR-JKSUJKDBSA-N 2 0 333.480 1.802 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262861432 139308752 /nfs/dbraw/zinc/30/87/52/139308752.db2.gz UDYKSMQFTCNUMN-MAUKXSAKSA-N 2 0 330.476 1.162 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422885968 252012088 /nfs/dbraw/zinc/01/20/88/252012088.db2.gz ZTKLJJDOBRJVEA-MJGOQNOKSA-N 2 0 344.503 1.962 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000422897608 252015804 /nfs/dbraw/zinc/01/58/04/252015804.db2.gz CHBLAMJTSHCWNK-GDBMZVCRSA-N 2 0 339.505 1.803 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423009295 252025815 /nfs/dbraw/zinc/02/58/15/252025815.db2.gz CNFCBNRHWISOBK-SRVKXCTJSA-N 2 0 333.354 1.821 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)Cc2ccc(C)cc2)CC[NH2+]CC1 ZINC000423059104 252030068 /nfs/dbraw/zinc/03/00/68/252030068.db2.gz LDHAGNQXQJXBEJ-FUHWJXTLSA-N 2 0 348.487 1.809 20 0 EDADRP COC[C@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC[NH2+]C1 ZINC000423321158 252045709 /nfs/dbraw/zinc/04/57/09/252045709.db2.gz DWXFQKSEOZFMKC-IBGZPJMESA-N 2 0 333.476 1.769 20 0 EDADRP COCC[NH+]1CCC(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000423356299 252052076 /nfs/dbraw/zinc/05/20/76/252052076.db2.gz QJHQTILVYWLXFP-QGZVFWFLSA-N 2 0 333.476 1.940 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2CCNCC2(F)F)c1 ZINC000423485649 252054705 /nfs/dbraw/zinc/05/47/05/252054705.db2.gz TZRWJISEUKATDF-DGCLKSJQSA-N 2 0 347.431 1.490 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1(C)C ZINC000423787066 252073804 /nfs/dbraw/zinc/07/38/04/252073804.db2.gz VWYSWGRUYJFBJR-PASDCYSWSA-N 2 0 337.508 1.993 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423791812 252075966 /nfs/dbraw/zinc/07/59/66/252075966.db2.gz HLONZNZWQRTUHD-KRWDZBQOSA-N 2 0 325.497 1.855 20 0 EDADRP COC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)CC[NH2+]C1 ZINC000423792655 252077940 /nfs/dbraw/zinc/07/79/40/252077940.db2.gz ICRNZNGUASXMLE-LJQANCHMSA-N 2 0 337.508 1.727 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424149653 252145195 /nfs/dbraw/zinc/14/51/95/252145195.db2.gz WZTQVBRBARNGEJ-OAHLLOKOSA-N 2 0 342.447 1.825 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000424218194 252166016 /nfs/dbraw/zinc/16/60/16/252166016.db2.gz RHJAUWUFBFTXHR-HOTGVXAUSA-N 2 0 325.497 1.581 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000424468824 252239971 /nfs/dbraw/zinc/23/99/71/252239971.db2.gz PSJMHMNYROSBBY-WBVHZDCISA-N 2 0 344.459 1.335 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000424442458 252233121 /nfs/dbraw/zinc/23/31/21/252233121.db2.gz VLOYFWXTMIXOTG-AWEZNQCLSA-N 2 0 332.448 1.383 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424477574 252247064 /nfs/dbraw/zinc/24/70/64/252247064.db2.gz LVLGWAPDOKEGGJ-RBUKOAKNSA-N 2 0 340.471 1.822 20 0 EDADRP COCC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482671 252249841 /nfs/dbraw/zinc/24/98/41/252249841.db2.gz UZQCFZHVAQQVRU-ZWKOTPCHSA-N 2 0 346.475 1.138 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899361 252313523 /nfs/dbraw/zinc/31/35/23/252313523.db2.gz KZQJOPQHLLREBI-UHFFFAOYSA-N 3 0 335.496 1.257 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000349931306 285057653 /nfs/dbraw/zinc/05/76/53/285057653.db2.gz HGKRKTCTDFJREA-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CC(=O)N(C2CC2)C1 ZINC000570099885 306530265 /nfs/dbraw/zinc/53/02/65/306530265.db2.gz DBASDAYKFIIJEB-AWEZNQCLSA-N 2 0 325.416 1.676 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000422025977 285187485 /nfs/dbraw/zinc/18/74/85/285187485.db2.gz UDDMNLMCLLRNAH-IBGZPJMESA-N 2 0 348.535 1.632 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000263676359 139351995 /nfs/dbraw/zinc/35/19/95/139351995.db2.gz MLSWOPKWKBUHAO-IBGZPJMESA-N 2 0 346.519 1.742 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CSC ZINC000175085683 285245325 /nfs/dbraw/zinc/24/53/25/285245325.db2.gz NQGHEOZQSDOABZ-LSDHHAIUSA-N 2 0 330.542 1.795 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCCO2 ZINC000345729360 285249124 /nfs/dbraw/zinc/24/91/24/285249124.db2.gz ILCTYWKSAAEPIC-OAHLLOKOSA-N 2 0 349.479 1.154 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000490436336 255087829 /nfs/dbraw/zinc/08/78/29/255087829.db2.gz FQDPCZUMJLZUBO-HNNXBMFYSA-N 2 0 331.526 1.464 20 0 EDADRP Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)/C=C\C[NH+](C)C)on1 ZINC000491982096 255157346 /nfs/dbraw/zinc/15/73/46/255157346.db2.gz JAEWOPYEBNXGJB-LUNKNMTDSA-N 2 0 338.427 1.472 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000494683981 255257871 /nfs/dbraw/zinc/25/78/71/255257871.db2.gz XVVMPSGEMOBJNE-NUJGCVRESA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000495009499 255265342 /nfs/dbraw/zinc/26/53/42/255265342.db2.gz AVJLNYMMZNVWMK-HZPDHXFCSA-N 2 0 341.496 1.822 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496116954 255354411 /nfs/dbraw/zinc/35/44/11/255354411.db2.gz AHHSKCGXPPLAFU-BZUAXINKSA-N 2 0 343.512 1.924 20 0 EDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000495838861 255330127 /nfs/dbraw/zinc/33/01/27/255330127.db2.gz DFUVHSGMQXLHAL-GPANFISMSA-N 2 0 341.496 1.725 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496758898 255422739 /nfs/dbraw/zinc/42/27/39/255422739.db2.gz MYAKKEOENZHABX-OAHLLOKOSA-N 2 0 329.485 1.536 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788417 224305859 /nfs/dbraw/zinc/30/58/59/224305859.db2.gz FYBSIZMWMOUNKF-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccc(NC(=O)C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000264287792 139393827 /nfs/dbraw/zinc/39/38/27/139393827.db2.gz LQKQUBKWDPGPEY-HNNXBMFYSA-N 2 0 349.475 1.658 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)([NH+](C)C)C1 ZINC000246588259 296454639 /nfs/dbraw/zinc/45/46/39/296454639.db2.gz NZBNWSFZVMKQMX-DJIMGWMZSA-N 2 0 328.501 1.109 20 0 EDADRP CS[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000271782807 140349607 /nfs/dbraw/zinc/34/96/07/140349607.db2.gz KDRQRCOKEQRROO-OLZOCXBDSA-N 2 0 327.519 1.927 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000271913443 140371489 /nfs/dbraw/zinc/37/14/89/140371489.db2.gz QTHPRSJBBYPDFI-MRXNPFEDSA-N 2 0 348.491 1.263 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000271993427 140384556 /nfs/dbraw/zinc/38/45/56/140384556.db2.gz SCAVQVPIMODSIX-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000332163954 141133570 /nfs/dbraw/zinc/13/35/70/141133570.db2.gz UCTZWGNDZBARBD-ZFVVBOAOSA-N 2 0 334.439 1.779 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000332276106 141154511 /nfs/dbraw/zinc/15/45/11/141154511.db2.gz QIZXEVLHDNPAPE-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000333501428 141327565 /nfs/dbraw/zinc/32/75/65/141327565.db2.gz DJFXIZKVZNUXRU-IRXDYDNUSA-N 2 0 343.475 1.549 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333560474 141337101 /nfs/dbraw/zinc/33/71/01/141337101.db2.gz QPBOZOCKOPJKDJ-IHXKFAGKSA-N 2 0 334.508 1.733 20 0 EDADRP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333587484 141341194 /nfs/dbraw/zinc/34/11/94/141341194.db2.gz OEHOLWTUHZZKBL-LSDHHAIUSA-N 2 0 336.480 1.023 20 0 EDADRP O=C(NCc1cn2c(n1)CCCC2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333612261 141344885 /nfs/dbraw/zinc/34/48/85/141344885.db2.gz QQUJNADCALZLIA-LSDHHAIUSA-N 2 0 331.464 1.751 20 0 EDADRP Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)CC2)s1 ZINC000333756661 141374071 /nfs/dbraw/zinc/37/40/71/141374071.db2.gz ZWVILUIRHRONNG-SWLSCSKDSA-N 2 0 337.493 1.277 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000333845363 141393118 /nfs/dbraw/zinc/39/31/18/141393118.db2.gz PBLUJMBPWCKAEI-KRWDZBQOSA-N 2 0 338.496 1.400 20 0 EDADRP Cc1ccc(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000339407837 142040267 /nfs/dbraw/zinc/04/02/67/142040267.db2.gz PAMGIXHQGNNLKB-RTBURBONSA-N 2 0 344.503 1.903 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NCCN1CCOCC1 ZINC000339463067 142052243 /nfs/dbraw/zinc/05/22/43/142052243.db2.gz OLXNXYHLUIPYSD-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C(C)C ZINC000339608572 142091996 /nfs/dbraw/zinc/09/19/96/142091996.db2.gz QJJZHPFVYJYTIF-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000340081206 142259917 /nfs/dbraw/zinc/25/99/17/142259917.db2.gz CAXYZJIECVDUFO-HZMBPMFUSA-N 2 0 328.254 1.595 20 0 EDADRP CC[NH+]1CCC(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000341430812 142561654 /nfs/dbraw/zinc/56/16/54/142561654.db2.gz MAGYREWMEWBGFB-MRXNPFEDSA-N 2 0 325.522 1.804 20 0 EDADRP CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000344919489 143026929 /nfs/dbraw/zinc/02/69/29/143026929.db2.gz GQVQATHYMLCJHN-HZPDHXFCSA-N 2 0 342.528 1.076 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000345641298 143115441 /nfs/dbraw/zinc/11/54/41/143115441.db2.gz ONZGZQQIIKKIQW-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000345647802 143116215 /nfs/dbraw/zinc/11/62/15/143116215.db2.gz YCJJDKFVAATBNG-RDJZCZTQSA-N 2 0 342.553 1.987 20 0 EDADRP CC[C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000345694599 143122294 /nfs/dbraw/zinc/12/22/94/143122294.db2.gz ACMXYMZJCLXDFZ-LSDHHAIUSA-N 2 0 325.403 1.922 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000345790550 143133978 /nfs/dbraw/zinc/13/39/78/143133978.db2.gz AEZUJPQRXCBWBE-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000345836545 143138247 /nfs/dbraw/zinc/13/82/47/143138247.db2.gz CWOLUZOPCLPSFM-QZTJIDSGSA-N 2 0 344.503 1.833 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N[C@H](C)C[NH+](C)C)c1 ZINC000346185491 143176511 /nfs/dbraw/zinc/17/65/11/143176511.db2.gz DTRBHCVXNWMMQR-ZIAGYGMSSA-N 2 0 334.464 1.046 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@@H]1C ZINC000346344313 143194304 /nfs/dbraw/zinc/19/43/04/143194304.db2.gz DASOVIVZNLCQRM-JKSUJKDBSA-N 2 0 339.528 1.137 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347088115 143281067 /nfs/dbraw/zinc/28/10/67/143281067.db2.gz CKFHKWHQSYPVNG-GFCCVEGCSA-N 2 0 345.365 1.714 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000347564725 143335675 /nfs/dbraw/zinc/33/56/75/143335675.db2.gz WBBDRNGTJCSDOT-OAHLLOKOSA-N 2 0 329.444 1.474 20 0 EDADRP COC1(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CCCC1 ZINC000361554536 292111584 /nfs/dbraw/zinc/11/15/84/292111584.db2.gz UCEBECCTLNZPOI-SFHVURJKSA-N 2 0 339.524 1.672 20 0 EDADRP CCOC(=O)c1nn(C)cc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369720266 155149394 /nfs/dbraw/zinc/14/93/94/155149394.db2.gz GKYUTGBTVOTEJT-UHFFFAOYSA-N 2 0 334.464 1.905 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416788445 304349110 /nfs/dbraw/zinc/34/91/10/304349110.db2.gz QGEFIUZERRRZFZ-FGTMMUONSA-N 2 0 328.460 1.684 20 0 EDADRP CO[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C[NH3+])C1 ZINC000416795904 286048513 /nfs/dbraw/zinc/04/85/13/286048513.db2.gz VDNJFEGQGNWRBD-KGLIPLIRSA-N 2 0 326.485 1.443 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000417670595 286058595 /nfs/dbraw/zinc/05/85/95/286058595.db2.gz OJUKUQJRKAZFGC-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CC1(NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000369866342 155209965 /nfs/dbraw/zinc/20/99/65/155209965.db2.gz ZCRLHKRJTWBUCQ-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP CCCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000416859429 304352488 /nfs/dbraw/zinc/35/24/88/304352488.db2.gz ZXUWLNRWUSTFKU-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000353358467 149378902 /nfs/dbraw/zinc/37/89/02/149378902.db2.gz XVNUVTQAJURNJW-CMJOXMDJSA-N 2 0 338.517 1.949 20 0 EDADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353385273 149387296 /nfs/dbraw/zinc/38/72/96/149387296.db2.gz LLZACOJASJGWST-MSOLQXFVSA-N 2 0 345.512 1.917 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416964713 304356471 /nfs/dbraw/zinc/35/64/71/304356471.db2.gz CNKRQPNTRWRZII-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930179 155241184 /nfs/dbraw/zinc/24/11/84/155241184.db2.gz XBXGJPNFGLOULT-SJORKVTESA-N 2 0 335.492 1.717 20 0 EDADRP CCc1cccc(OC[C@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000573594564 306625979 /nfs/dbraw/zinc/62/59/79/306625979.db2.gz BFIOMVCAUVBKEQ-LJQANCHMSA-N 2 0 349.519 1.604 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)C[C@H](C)O1 ZINC000416974947 304359113 /nfs/dbraw/zinc/35/91/13/304359113.db2.gz YFNPILBEECCAOF-GASCZTMLSA-N 2 0 348.491 1.832 20 0 EDADRP C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000416981294 304360822 /nfs/dbraw/zinc/36/08/22/304360822.db2.gz ZWBBUUKLUZUWTH-WBVHZDCISA-N 2 0 348.491 1.814 20 0 EDADRP O=C1OCC[C@H]2CC[NH+](CCCC[N@H+]3CC[C@H]4CCOC(=O)[C@@H]43)[C@@H]12 ZINC000369974931 155261793 /nfs/dbraw/zinc/26/17/93/155261793.db2.gz QPLXZPDKVCPMSZ-QKPAOTATSA-N 2 0 336.432 1.041 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417040963 304365073 /nfs/dbraw/zinc/36/50/73/304365073.db2.gz VVXLOGZOQVHFDR-LJQANCHMSA-N 2 0 330.476 1.815 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccco1 ZINC000357546867 151063596 /nfs/dbraw/zinc/06/35/96/151063596.db2.gz QDCHXSQEHAFEBT-GDBMZVCRSA-N 2 0 345.447 1.937 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000357602102 151081643 /nfs/dbraw/zinc/08/16/43/151081643.db2.gz WJNZFMFKIZXHEU-IUODEOHRSA-N 2 0 348.447 1.077 20 0 EDADRP CSC1(CNC(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873445 151179960 /nfs/dbraw/zinc/17/99/60/151179960.db2.gz UEKDIMYNHHUAKL-GJZGRUSLSA-N 2 0 342.553 1.842 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357972942 151216302 /nfs/dbraw/zinc/21/63/02/151216302.db2.gz KQEUFOCOCDBVCF-GOEBONIOSA-N 2 0 330.542 1.843 20 0 EDADRP C[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000417085199 304371536 /nfs/dbraw/zinc/37/15/36/304371536.db2.gz BQZXHYNYGSTJSQ-OAHLLOKOSA-N 2 0 330.476 1.827 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N1CCC[NH2+]CC1 ZINC000417093136 304371986 /nfs/dbraw/zinc/37/19/86/304371986.db2.gz AXGZOZNXUHSDEY-UHFFFAOYSA-N 2 0 326.510 1.353 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417119696 304374430 /nfs/dbraw/zinc/37/44/30/304374430.db2.gz UEEZWPLOYWFIDK-LSDHHAIUSA-N 2 0 340.537 1.740 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417122813 304374949 /nfs/dbraw/zinc/37/49/49/304374949.db2.gz YEHCLEOKQBXSTA-CQSZACIVSA-N 2 0 328.526 1.503 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000417129933 304375795 /nfs/dbraw/zinc/37/57/95/304375795.db2.gz AIKVRORCUBNIRS-INIZCTEOSA-N 2 0 333.480 1.592 20 0 EDADRP CC(C)CC[C@@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000360686987 152153125 /nfs/dbraw/zinc/15/31/25/152153125.db2.gz ANJMZEXIDODGBE-MOPGFXCFSA-N 2 0 341.540 1.510 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748770 152184836 /nfs/dbraw/zinc/18/48/36/152184836.db2.gz XRUSBEQIRBFURI-DOTOQJQBSA-N 2 0 340.537 1.694 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360874452 152237731 /nfs/dbraw/zinc/23/77/31/152237731.db2.gz TZVSATQMYZUXLB-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CCN(Cc2ccco2)CC1)c1cncc(F)c1 ZINC000361121621 152311926 /nfs/dbraw/zinc/31/19/26/152311926.db2.gz VYHYGZLYCDOFBT-CQSZACIVSA-N 2 0 346.406 1.809 20 0 EDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1(C)C ZINC000361238614 152343134 /nfs/dbraw/zinc/34/31/34/152343134.db2.gz VBZKOGQLIBKFOV-QZTJIDSGSA-N 2 0 341.540 1.558 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCCN(CC[NH+](C)C)CC1 ZINC000361268176 152349606 /nfs/dbraw/zinc/34/96/06/152349606.db2.gz GPTWBRUNVBBAHL-UHFFFAOYSA-N 2 0 340.556 1.985 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(F)(F)C1 ZINC000574055786 306642199 /nfs/dbraw/zinc/64/21/99/306642199.db2.gz XAPZOUGQJJTPPY-CQSZACIVSA-N 2 0 334.455 1.947 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000361425010 152390954 /nfs/dbraw/zinc/39/09/54/152390954.db2.gz MFOSJGWEBHSMKR-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC1 ZINC000362672541 152775820 /nfs/dbraw/zinc/77/58/20/152775820.db2.gz RIUOSCHKKJKKGK-HOCLYGCPSA-N 2 0 326.485 1.079 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000417179482 304381028 /nfs/dbraw/zinc/38/10/28/304381028.db2.gz FUPSTFFKFIIKOR-FGTMMUONSA-N 2 0 330.476 1.553 20 0 EDADRP O=C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)N1CCCCCC1 ZINC000363593393 153008863 /nfs/dbraw/zinc/00/88/63/153008863.db2.gz NKPLQWGAFAIKJI-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP CCN1CC[C@H](NC(=O)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363676045 153026055 /nfs/dbraw/zinc/02/60/55/153026055.db2.gz VJJPZBOKNBVRIQ-XJKSGUPXSA-N 2 0 329.366 1.917 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000417188336 304382621 /nfs/dbraw/zinc/38/26/21/304382621.db2.gz YLNAMFMQWHTSNI-MRXNPFEDSA-N 2 0 334.464 1.822 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)C[C@@H]1CC ZINC000364219825 153178762 /nfs/dbraw/zinc/17/87/62/153178762.db2.gz XHADXPPGDVYCNA-IRXDYDNUSA-N 2 0 325.497 1.726 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000364558011 153270188 /nfs/dbraw/zinc/27/01/88/153270188.db2.gz AUEGLNDGXMCUOP-IRXDYDNUSA-N 2 0 329.400 1.622 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000364721652 153314398 /nfs/dbraw/zinc/31/43/98/153314398.db2.gz BFDBPOUHRXJZDB-TXPKVOOTSA-N 2 0 337.508 1.756 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000188052842 286416403 /nfs/dbraw/zinc/41/64/03/286416403.db2.gz SCYXFZQKZAIIDR-QAPCUYQASA-N 2 0 325.497 1.756 20 0 EDADRP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367588725 154189026 /nfs/dbraw/zinc/18/90/26/154189026.db2.gz NPAUENKKTOCIMH-BRWVUGGUSA-N 2 0 337.489 1.557 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(C)(C)CN2CCn3ccnc3C2)C1 ZINC000367894766 154316317 /nfs/dbraw/zinc/31/63/17/154316317.db2.gz NZUWVTKIHBKYDK-MRXNPFEDSA-N 2 0 347.507 1.573 20 0 EDADRP C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000369424449 155026976 /nfs/dbraw/zinc/02/69/76/155026976.db2.gz ITEQOCRPOOWIEF-ZWKOTPCHSA-N 2 0 330.476 1.998 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000369658808 155123111 /nfs/dbraw/zinc/12/31/11/155123111.db2.gz DUTNYMJQVRPGHC-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000417533754 304403985 /nfs/dbraw/zinc/40/39/85/304403985.db2.gz YGSHVWPHWKVNPG-DOTOQJQBSA-N 2 0 348.491 1.548 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417545300 304404431 /nfs/dbraw/zinc/40/44/31/304404431.db2.gz IXLVBPHTCQKDQU-CQSZACIVSA-N 2 0 326.485 1.447 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417547194 304404521 /nfs/dbraw/zinc/40/45/21/304404521.db2.gz NSRHXQJKMBCQCV-KBPBESRZSA-N 2 0 326.485 1.268 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(OCC3CC3)CC2)CC1 ZINC000374127752 157153588 /nfs/dbraw/zinc/15/35/88/157153588.db2.gz AQOXAJITXYGHGL-UHFFFAOYSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1CN(CCN(C)C2CC[NH+](C3CCOCC3)CC2)CCO1 ZINC000374290992 157228701 /nfs/dbraw/zinc/22/87/01/157228701.db2.gz AORUAOOQRWXUND-INIZCTEOSA-N 2 0 325.497 1.282 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000378202664 158107948 /nfs/dbraw/zinc/10/79/48/158107948.db2.gz GVJRRVKIDCCZIT-SJORKVTESA-N 2 0 336.524 1.523 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)cc1 ZINC000378271549 158125970 /nfs/dbraw/zinc/12/59/70/158125970.db2.gz KYAOWOKWNXEZPT-UHFFFAOYSA-N 2 0 345.487 1.981 20 0 EDADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378527257 158200159 /nfs/dbraw/zinc/20/01/59/158200159.db2.gz ULZBOVPUJXLQRY-GJZGRUSLSA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417907286 304429880 /nfs/dbraw/zinc/42/98/80/304429880.db2.gz GQLCVUVOJGSSFC-OAGGEKHMSA-N 2 0 326.485 1.037 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000352245453 162070109 /nfs/dbraw/zinc/07/01/09/162070109.db2.gz ARVAXSKNTGXLNR-INIZCTEOSA-N 2 0 331.526 1.466 20 0 EDADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)N1CCc2sccc2C1 ZINC000352525451 162230777 /nfs/dbraw/zinc/23/07/77/162230777.db2.gz GRRBMCAEEHWDFI-INIZCTEOSA-N 2 0 348.516 1.002 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418178650 304460128 /nfs/dbraw/zinc/46/01/28/304460128.db2.gz ZAHYZBBKVQUVRG-KSSFIOAISA-N 2 0 346.475 1.791 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418311784 304478481 /nfs/dbraw/zinc/47/84/81/304478481.db2.gz GGZNHGPMVOJLBT-HNNXBMFYSA-N 2 0 336.455 1.899 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000158695768 225067477 /nfs/dbraw/zinc/06/74/77/225067477.db2.gz JYGNQVXCGISLMR-QGZVFWFLSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000123445757 222278156 /nfs/dbraw/zinc/27/81/56/222278156.db2.gz PMGYYHZKPVNQKG-HNNXBMFYSA-N 2 0 332.448 1.145 20 0 EDADRP C[N@H+](CCN1CC[NH+](CCC2OCCO2)CC1)Cc1ccccc1 ZINC000124247262 222398569 /nfs/dbraw/zinc/39/85/69/222398569.db2.gz CVCXDVZXNCYOBD-UHFFFAOYSA-N 2 0 333.476 1.499 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418416984 304493862 /nfs/dbraw/zinc/49/38/62/304493862.db2.gz UTGCJEBIXFBFSM-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000418433277 304495404 /nfs/dbraw/zinc/49/54/04/304495404.db2.gz CVICJNZSDCQDFY-JYJNAYRXSA-N 2 0 326.485 1.255 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCCC[NH2+]1 ZINC000638069531 452372859 /nfs/dbraw/zinc/37/28/59/452372859.db2.gz QAMQNAYFCGRUEL-SJLPKXTDSA-N 2 0 325.497 1.772 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188742573 272958960 /nfs/dbraw/zinc/95/89/60/272958960.db2.gz XQZXIZGTSZIUEQ-DZGCQCFKSA-N 2 0 325.453 1.776 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000194134515 273000656 /nfs/dbraw/zinc/00/06/56/273000656.db2.gz MHAXDGRRCRGDKV-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc(CN2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)cc1F ZINC000237298364 273008954 /nfs/dbraw/zinc/00/89/54/273008954.db2.gz QZRJSDUQEFQUNB-UHFFFAOYSA-N 2 0 349.450 1.998 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236997573 267922924 /nfs/dbraw/zinc/92/29/24/267922924.db2.gz DLATVZUGJGMIIC-AEFFLSMTSA-N 2 0 330.476 1.686 20 0 EDADRP COC(=O)c1coc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000273610780 268064842 /nfs/dbraw/zinc/06/48/42/268064842.db2.gz NRFACMKLZGYAKB-UHFFFAOYSA-N 2 0 339.436 1.412 20 0 EDADRP CC[C@H](C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[NH+](CC)CC ZINC000274028132 268099642 /nfs/dbraw/zinc/09/96/42/268099642.db2.gz CAPLBONVXKJJRZ-MRXNPFEDSA-N 2 0 334.464 1.906 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000274526995 268157843 /nfs/dbraw/zinc/15/78/43/268157843.db2.gz AMZCKXWJFMQBOK-UHFFFAOYSA-N 2 0 345.491 1.146 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274783170 268205665 /nfs/dbraw/zinc/20/56/65/268205665.db2.gz PRBWEENHXURJEL-DOTOQJQBSA-N 2 0 341.459 1.640 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000276313507 268416653 /nfs/dbraw/zinc/41/66/53/268416653.db2.gz VKYSEAVELYXQOW-UHFFFAOYSA-N 2 0 344.419 1.006 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000274195374 273076744 /nfs/dbraw/zinc/07/67/44/273076744.db2.gz PIIICVWGHADSAC-QAPCUYQASA-N 2 0 330.476 1.900 20 0 EDADRP O=C(c1ccccc1CN1CCOCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000274208302 273078161 /nfs/dbraw/zinc/07/81/61/273078161.db2.gz VXXFSIFRHGLUBZ-IBGZPJMESA-N 2 0 329.444 1.344 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1cc(F)ccc1F ZINC000103213155 272918830 /nfs/dbraw/zinc/91/88/30/272918830.db2.gz JPSPOYOXDMTHHL-UHFFFAOYSA-N 2 0 327.419 1.849 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ns1 ZINC000278072155 273246796 /nfs/dbraw/zinc/24/67/96/273246796.db2.gz WAMNDIZGGBAYIE-UHFFFAOYSA-N 2 0 345.472 1.789 20 0 EDADRP O=C(NCc1ccccc1CN1CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279833046 273331662 /nfs/dbraw/zinc/33/16/62/273331662.db2.gz ZCCUXSAODQROHQ-IBGZPJMESA-N 2 0 343.471 1.762 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283961118 274027354 /nfs/dbraw/zinc/02/73/54/274027354.db2.gz JZJHKMOLUBVXSD-WBVHZDCISA-N 2 0 348.491 1.252 20 0 EDADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000119905837 274494742 /nfs/dbraw/zinc/49/47/42/274494742.db2.gz ZSDUITFSNUCHOW-MRXNPFEDSA-N 2 0 339.505 1.076 20 0 EDADRP CCN(C(=O)C[NH2+]CCOC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453922 276061782 /nfs/dbraw/zinc/06/17/82/276061782.db2.gz NJOVKQRLUOZKLQ-SJLPKXTDSA-N 2 0 333.476 1.906 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000416995222 276196962 /nfs/dbraw/zinc/19/69/62/276196962.db2.gz SQWUEQSYXBQXBG-JKSUJKDBSA-N 2 0 347.507 1.359 20 0 EDADRP CCO[C@H]1C[C@](CO)([NH2+]CCCN2CC[NH+](C(C)C)CC2)C1(C)C ZINC000337476497 276366750 /nfs/dbraw/zinc/36/67/50/276366750.db2.gz SKLATODKRCOMAY-PKOBYXMFSA-N 2 0 341.540 1.558 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC[C@@H]1C ZINC000433450987 276370908 /nfs/dbraw/zinc/37/09/08/276370908.db2.gz AXAPUVZKNACQFA-BBWFWOEESA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCCC[C@H]3CC[NH3+])c2)CC1 ZINC000285992031 287909975 /nfs/dbraw/zinc/90/99/75/287909975.db2.gz IEDIOUUMKAADHO-IBGZPJMESA-N 2 0 344.503 1.778 20 0 EDADRP CC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000236927585 287926785 /nfs/dbraw/zinc/92/67/85/287926785.db2.gz XRAAFUWAHCRZQG-BBRMVZONSA-N 2 0 336.455 1.882 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000415949614 277034095 /nfs/dbraw/zinc/03/40/95/277034095.db2.gz ZVEKFHQCNXALSD-ZWKOTPCHSA-N 2 0 346.475 1.905 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415946052 277085626 /nfs/dbraw/zinc/08/56/26/277085626.db2.gz MOBPVGUDDJRVRI-SFHVURJKSA-N 2 0 332.448 1.974 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369028038 277150453 /nfs/dbraw/zinc/15/04/53/277150453.db2.gz NDYPKEYTZUSUJM-JKSUJKDBSA-N 2 0 338.496 1.412 20 0 EDADRP COCCCN(C)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790786 277205610 /nfs/dbraw/zinc/20/56/10/277205610.db2.gz XYOFULPXMUCNER-HKUYNNGSSA-N 2 0 333.476 1.800 20 0 EDADRP CO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451850966 277350378 /nfs/dbraw/zinc/35/03/78/277350378.db2.gz MEKJZDHVTFVHMM-IRXDYDNUSA-N 2 0 335.492 1.619 20 0 EDADRP COc1cc(NCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc(OC)c1 ZINC000423006820 277385603 /nfs/dbraw/zinc/38/56/03/277385603.db2.gz WNKJEMFLIMCKGI-GBESFXJTSA-N 2 0 349.475 1.862 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000286288004 287974650 /nfs/dbraw/zinc/97/46/50/287974650.db2.gz WVDGBNQHKDWKLZ-GPMSIDNRSA-N 2 0 344.503 1.550 20 0 EDADRP CS(=O)(=O)c1ccc(OCCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424277432 278120388 /nfs/dbraw/zinc/12/03/88/278120388.db2.gz AILLWUGLWRHXMY-HZPDHXFCSA-N 2 0 326.462 1.719 20 0 EDADRP C[C@@H]([NH2+]CCCNS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385461 278345945 /nfs/dbraw/zinc/34/59/45/278345945.db2.gz CEMZRMXWDGLNHD-WBVHZDCISA-N 2 0 339.505 1.426 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000358317081 279071270 /nfs/dbraw/zinc/07/12/70/279071270.db2.gz KDUNTFBDPYSWGW-BHYGNILZSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000119711559 288106394 /nfs/dbraw/zinc/10/63/94/288106394.db2.gz PITWXLSNTFCBSO-XJKCOSOUSA-N 2 0 325.478 1.195 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000344551503 279130221 /nfs/dbraw/zinc/13/02/21/279130221.db2.gz RNJRCWLGJQYGMK-JKSUJKDBSA-N 2 0 328.501 1.109 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372750856 279181409 /nfs/dbraw/zinc/18/14/09/279181409.db2.gz LEUOYAQKTBUFFE-GOSISDBHSA-N 2 0 337.508 1.964 20 0 EDADRP CC[NH+]1CCCN(c2cncc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000342205515 279291836 /nfs/dbraw/zinc/29/18/36/279291836.db2.gz MSWZVIICZRCMQB-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237603947 288151736 /nfs/dbraw/zinc/15/17/36/288151736.db2.gz LYHCRDQTHQJEME-CYGHRXIMSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C[C@H](C)O1 ZINC000363834550 288152770 /nfs/dbraw/zinc/15/27/70/288152770.db2.gz WGSUHYKPPNDTOH-FCEWJHQRSA-N 2 0 349.519 1.676 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000364457864 288205655 /nfs/dbraw/zinc/20/56/55/288205655.db2.gz LQUXZRLAFISWHL-BZUAXINKSA-N 2 0 325.453 1.308 20 0 EDADRP O=C1OCC[C@@H]2CC[N@H+](CCCC[NH+]3CC[C@@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974933 280307420 /nfs/dbraw/zinc/30/74/20/280307420.db2.gz QPLXZPDKVCPMSZ-SYMSYNOKSA-N 2 0 336.432 1.041 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360748575 288301919 /nfs/dbraw/zinc/30/19/19/288301919.db2.gz WZGQYPLGMXPOOV-IIAWOOMASA-N 2 0 326.510 1.302 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287874223 288343970 /nfs/dbraw/zinc/34/39/70/288343970.db2.gz YBYJAOZRTHFOOR-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000290254666 288866797 /nfs/dbraw/zinc/86/67/97/288866797.db2.gz WTJILOWYQZRDCB-AWEZNQCLSA-N 2 0 347.381 1.569 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CCOCC1 ZINC000364208472 289047443 /nfs/dbraw/zinc/04/74/43/289047443.db2.gz JTTLMMSFFJADPP-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+](C)C2CCCC2)CCOCC1 ZINC000114027073 289050468 /nfs/dbraw/zinc/05/04/68/289050468.db2.gz JIOJUUJZONRSMO-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000362945499 289226102 /nfs/dbraw/zinc/22/61/02/289226102.db2.gz SOZZYWVNNRWXME-KRWDZBQOSA-N 2 0 333.476 1.715 20 0 EDADRP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000454714031 290234257 /nfs/dbraw/zinc/23/42/57/290234257.db2.gz CKYAVSXBXRIRBO-FJIDUMEYSA-N 2 0 328.460 1.777 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423357213 293265479 /nfs/dbraw/zinc/26/54/79/293265479.db2.gz LUKDTWSOVQIEPO-LNLFQRSKSA-N 2 0 337.508 1.726 20 0 EDADRP COCC[NH2+]CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000418508007 304505724 /nfs/dbraw/zinc/50/57/24/304505724.db2.gz LRJWDVMNLQETBO-UHFFFAOYSA-N 2 0 349.479 1.175 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1ccc(F)cc1 ZINC000375921982 295323945 /nfs/dbraw/zinc/32/39/45/295323945.db2.gz LGMGZCAJTOKOGF-ITQYTPKQSA-N 2 0 331.435 1.859 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666663954 453049100 /nfs/dbraw/zinc/04/91/00/453049100.db2.gz UZMMECCBPKDPSS-YOEHRIQHSA-N 2 0 326.485 1.005 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000418661435 304527532 /nfs/dbraw/zinc/52/75/32/304527532.db2.gz PUBDECMEZCNISV-QGZVFWFLSA-N 2 0 348.491 1.565 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000419128917 304567992 /nfs/dbraw/zinc/56/79/92/304567992.db2.gz XJTCXTWZMZUHKT-HZPDHXFCSA-N 2 0 340.512 1.103 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000420451892 304760645 /nfs/dbraw/zinc/76/06/45/304760645.db2.gz IIRHEAPTTQZPFC-UHFFFAOYSA-N 2 0 339.383 1.394 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000420475425 304763413 /nfs/dbraw/zinc/76/34/13/304763413.db2.gz WRWKNKYRSITYTE-CABCVRRESA-N 2 0 325.478 1.544 20 0 EDADRP CC(C)[C@]1(CO)CC[NH+](CC(O)C[N@H+]2CC[C@@](CO)(C(C)C)C2)C1 ZINC000377732992 447325943 /nfs/dbraw/zinc/32/59/43/447325943.db2.gz RAMVNOYIFYOQHP-RTBURBONSA-N 2 0 342.524 1.028 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)ccn1 ZINC000293957250 303044140 /nfs/dbraw/zinc/04/41/40/303044140.db2.gz STOGYEIMZDUEQT-GOSISDBHSA-N 2 0 332.448 1.190 20 0 EDADRP COCCOC[C@@H](O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295040928 303166303 /nfs/dbraw/zinc/16/63/03/303166303.db2.gz NUOXFDOXSGMFSD-MOPGFXCFSA-N 2 0 336.476 1.464 20 0 EDADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000295045063 303166445 /nfs/dbraw/zinc/16/64/45/303166445.db2.gz FDWDCKPZBSFFNX-DOTOQJQBSA-N 2 0 349.475 1.849 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000295195453 303186837 /nfs/dbraw/zinc/18/68/37/303186837.db2.gz OLQFYICUYAWLHJ-MRXNPFEDSA-N 2 0 348.491 1.639 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CO2 ZINC000295906286 303281822 /nfs/dbraw/zinc/28/18/22/303281822.db2.gz IXDJDXGEMNSZLN-MJGOQNOKSA-N 2 0 347.503 1.860 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422913827 304879963 /nfs/dbraw/zinc/87/99/63/304879963.db2.gz QVXWPPOQMMPNGV-ROUUACIJSA-N 2 0 330.476 1.585 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228943 304890034 /nfs/dbraw/zinc/89/00/34/304890034.db2.gz GAJDFPPSWKJMOQ-CQSZACIVSA-N 2 0 326.448 1.826 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000423418273 304895191 /nfs/dbraw/zinc/89/51/91/304895191.db2.gz UJIJSJAKLUBGFK-JKSUJKDBSA-N 2 0 340.512 1.010 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423532662 304898046 /nfs/dbraw/zinc/89/80/46/304898046.db2.gz VPRRDCAERYHMDP-QGZVFWFLSA-N 2 0 344.503 1.627 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000423733864 304906894 /nfs/dbraw/zinc/90/68/94/304906894.db2.gz ABTBWJLMEOLTRG-SFHVURJKSA-N 2 0 348.491 1.196 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000427316056 304988426 /nfs/dbraw/zinc/98/84/26/304988426.db2.gz WXXLBNBAYUAABA-BDXSIMOUSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000428950631 305020654 /nfs/dbraw/zinc/02/06/54/305020654.db2.gz GBXKSZIRDKLFEZ-APWZRJJASA-N 2 0 344.503 1.552 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000428947569 305020710 /nfs/dbraw/zinc/02/07/10/305020710.db2.gz PGGJCLRYYGYNAQ-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CCOC[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000430180851 305047188 /nfs/dbraw/zinc/04/71/88/305047188.db2.gz SBUAAMOULKSKOP-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP O=C([C@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1)N1CC[NH2+]CC1 ZINC000430615952 305059200 /nfs/dbraw/zinc/05/92/00/305059200.db2.gz DTVVBSZIIDNKTH-YJBOKZPZSA-N 2 0 331.435 1.957 20 0 EDADRP C[C@@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000430718720 305063263 /nfs/dbraw/zinc/06/32/63/305063263.db2.gz HLJCSQYDPUDVHC-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)CC2CC[NH2+]CC2)CC1 ZINC000431035299 305073342 /nfs/dbraw/zinc/07/33/42/305073342.db2.gz CZVZSZRYMWSUOT-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP COc1cc(C[NH+](C)C2CC(O)C2)cc(C[N@H+](C)C2CC(O)C2)c1 ZINC000432866006 305096424 /nfs/dbraw/zinc/09/64/24/305096424.db2.gz QQIDDDVYJOLIMM-UHFFFAOYSA-N 2 0 334.460 1.605 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127767 305101306 /nfs/dbraw/zinc/10/13/06/305101306.db2.gz UIFMTGWVLLIPHA-IXDOHACOSA-N 3 0 338.540 1.672 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436241957 305154806 /nfs/dbraw/zinc/15/48/06/305154806.db2.gz UFNXCRJPUWYUNB-ZDUSSCGKSA-N 2 0 332.423 1.984 20 0 EDADRP CCC[NH+](C)CC(=O)N1C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C[C@H]1C ZINC000441455416 305222270 /nfs/dbraw/zinc/22/22/70/305222270.db2.gz DBBAWPXGVVZSTF-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000446493188 305265839 /nfs/dbraw/zinc/26/58/39/305265839.db2.gz NWNQQNRMOWFVKP-QGZVFWFLSA-N 2 0 340.512 1.520 20 0 EDADRP C[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCCC[C@@H]1C ZINC000446502152 305265899 /nfs/dbraw/zinc/26/58/99/305265899.db2.gz SVUBSTBFRIGDLJ-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000448679367 305301241 /nfs/dbraw/zinc/30/12/41/305301241.db2.gz CJDCMNJSFBXOHL-GJZGRUSLSA-N 2 0 348.491 1.355 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000456177640 305452365 /nfs/dbraw/zinc/45/23/65/305452365.db2.gz YSAXBLLXQQXYOJ-UHFFFAOYSA-N 2 0 347.507 1.684 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)[C@@H]1SC ZINC000459597231 305521038 /nfs/dbraw/zinc/52/10/38/305521038.db2.gz VVHZGRUGDRUGIS-INMHGKMJSA-N 2 0 343.537 1.477 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000491906693 305581304 /nfs/dbraw/zinc/58/13/04/305581304.db2.gz QDADDVRRXKEZGC-IEODJVTJSA-N 2 0 330.476 1.209 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000419694475 447353789 /nfs/dbraw/zinc/35/37/89/447353789.db2.gz JMTUBGUQABACJH-HNNXBMFYSA-N 2 0 340.512 1.247 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000514850956 305707652 /nfs/dbraw/zinc/70/76/52/305707652.db2.gz QEVQOXILXLEWJV-OALUTQOASA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000515026506 305712556 /nfs/dbraw/zinc/71/25/56/305712556.db2.gz XGAGXAQQICFOQI-UHFFFAOYSA-N 2 0 347.503 1.991 20 0 EDADRP CCOc1ccc([C@@H](CC)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OCC ZINC000516272743 305735558 /nfs/dbraw/zinc/73/55/58/305735558.db2.gz DVFWFBDNBHPBER-MRXNPFEDSA-N 2 0 349.475 1.957 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000517718405 305755417 /nfs/dbraw/zinc/75/54/17/305755417.db2.gz QPPRWPGVACNXHC-CVEARBPZSA-N 2 0 326.485 1.175 20 0 EDADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)CC1(O)CCC1 ZINC000528441289 305873424 /nfs/dbraw/zinc/87/34/24/305873424.db2.gz UXWWYKQAHDYQNX-GOSISDBHSA-N 2 0 340.508 1.477 20 0 EDADRP CN(CC[NH+](C)C)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000531347040 305957772 /nfs/dbraw/zinc/95/77/72/305957772.db2.gz VSQAFCXDUUINQS-GOSISDBHSA-N 2 0 347.507 1.178 20 0 EDADRP CN(CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)c1cc[nH+]cc1 ZINC000543712323 306067586 /nfs/dbraw/zinc/06/75/86/306067586.db2.gz LTLQWVYOSKUQGI-KRWDZBQOSA-N 2 0 334.464 1.477 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000545176406 306081130 /nfs/dbraw/zinc/08/11/30/306081130.db2.gz KACVIRSDRVFRLY-RKVPGOIHSA-N 2 0 340.512 1.109 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC[C@H]1CCCCO1 ZINC000545493957 306085318 /nfs/dbraw/zinc/08/53/18/306085318.db2.gz KKLGKRJCWVRPQC-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000550657185 306153539 /nfs/dbraw/zinc/15/35/39/306153539.db2.gz PCAJJFVWOGLMNI-GOSISDBHSA-N 2 0 341.459 1.575 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cnn(CC(F)F)c2)CC1 ZINC000552152949 306176462 /nfs/dbraw/zinc/17/64/62/306176462.db2.gz KBALQCNFCPMUGA-UHFFFAOYSA-N 2 0 336.390 1.907 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000553076046 306182622 /nfs/dbraw/zinc/18/26/22/306182622.db2.gz BNHMWMJPZQGXSS-ZACQAIPSSA-N 2 0 337.508 1.676 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)C1 ZINC000554596873 306196078 /nfs/dbraw/zinc/19/60/78/306196078.db2.gz PJOYEVRQPMIXNM-GASCZTMLSA-N 2 0 346.475 1.839 20 0 EDADRP CN(CCC[NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000557162644 306225151 /nfs/dbraw/zinc/22/51/51/306225151.db2.gz PQTDMJFZGNILGQ-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000414949069 447368795 /nfs/dbraw/zinc/36/87/95/447368795.db2.gz ZNQTVQWRCXPWIA-PBHICJAKSA-N 2 0 346.475 1.676 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816528 447370566 /nfs/dbraw/zinc/37/05/66/447370566.db2.gz HYNGMNONFPRLTL-CEXWTWQISA-N 2 0 329.488 1.911 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C(F)F ZINC000449630747 447380916 /nfs/dbraw/zinc/38/09/16/447380916.db2.gz VPXSBWJRVSEDGU-OAHLLOKOSA-N 2 0 325.403 1.941 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCCC2 ZINC000449826202 447399621 /nfs/dbraw/zinc/39/96/21/447399621.db2.gz QZTQSMADHVSWNH-KRWDZBQOSA-N 2 0 347.507 1.708 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419771748 447403052 /nfs/dbraw/zinc/40/30/52/447403052.db2.gz GYGNIMAZUPDZBC-GJZGRUSLSA-N 2 0 340.512 1.055 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)[C@@H]1CCCC[C@H]1O)[C@@H]1CCCC[C@H]1O ZINC000426236662 447403676 /nfs/dbraw/zinc/40/36/76/447403676.db2.gz GQBASDYNRMJPMJ-BRSBDYLESA-N 2 0 328.497 1.474 20 0 EDADRP CS(=O)(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470159 453803928 /nfs/dbraw/zinc/80/39/28/453803928.db2.gz SPHHFOLAHMCDAS-OAHLLOKOSA-N 2 0 329.510 1.122 20 0 EDADRP CC(C)C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751564 441029326 /nfs/dbraw/zinc/02/93/26/441029326.db2.gz SOPNRNUZVNLYJG-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000080545711 441178475 /nfs/dbraw/zinc/17/84/75/441178475.db2.gz USGUXCHMVOBRND-SFHVURJKSA-N 2 0 334.508 1.988 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000105205416 441242293 /nfs/dbraw/zinc/24/22/93/441242293.db2.gz MWBKXZCFJOUCSR-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2CN(C)CCO2)([NH+](C)C)C1 ZINC000105173971 441239253 /nfs/dbraw/zinc/23/92/53/441239253.db2.gz IXVATGBEZGRODC-BFYDXBDKSA-N 2 0 326.485 1.127 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)cc12 ZINC000105439135 441255784 /nfs/dbraw/zinc/25/57/84/441255784.db2.gz QUURKRPHDCERSG-CQSZACIVSA-N 2 0 330.480 1.250 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000063178547 441316938 /nfs/dbraw/zinc/31/69/38/441316938.db2.gz KOBFQDPORSYLJK-ZDUSSCGKSA-N 2 0 340.265 1.736 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000074110120 441395476 /nfs/dbraw/zinc/39/54/76/441395476.db2.gz ZYUOYBLLVLGFMT-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CN1CC[NH+](CC)CC1)c1ccco1 ZINC000052857983 441481382 /nfs/dbraw/zinc/48/13/82/441481382.db2.gz ONARBQZBBDBRBR-INIZCTEOSA-N 2 0 336.480 1.416 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(=O)NC)cc3)C2)CC1 ZINC000109025732 441485962 /nfs/dbraw/zinc/48/59/62/441485962.db2.gz TVSCLJWSVHSHCN-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085790764 441450689 /nfs/dbraw/zinc/45/06/89/441450689.db2.gz NCSXIFAODCFIAX-OAHLLOKOSA-N 2 0 331.526 1.463 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415439063 447441124 /nfs/dbraw/zinc/44/11/24/447441124.db2.gz CFHHPISJJNPCFG-CABCVRRESA-N 2 0 332.448 1.239 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)CCn3cccn3)cn2)CC1 ZINC000158652842 441754057 /nfs/dbraw/zinc/75/40/57/441754057.db2.gz RKIZJDXXMMUPOT-KRWDZBQOSA-N 2 0 342.491 1.988 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000137260516 441760372 /nfs/dbraw/zinc/76/03/72/441760372.db2.gz GGZRCEWRNLWBCX-UHFFFAOYSA-N 2 0 348.491 1.874 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158786415 441763422 /nfs/dbraw/zinc/76/34/22/441763422.db2.gz OCFXDAGUNXYJPQ-CYBMUJFWSA-N 2 0 345.285 1.736 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)NCc2ccco2)CC1 ZINC000056524285 441723064 /nfs/dbraw/zinc/72/30/64/441723064.db2.gz XACVWBHHSUTERH-UHFFFAOYSA-N 2 0 336.436 1.269 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000121932590 441813915 /nfs/dbraw/zinc/81/39/15/441813915.db2.gz HRGORWLMFUVLPF-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000121934002 441814103 /nfs/dbraw/zinc/81/41/03/441814103.db2.gz FNYXKWDFFSQKBB-KRWDZBQOSA-N 2 0 327.476 1.809 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173949925 441867736 /nfs/dbraw/zinc/86/77/36/441867736.db2.gz CBUAVPZJMYWNLO-OAHLLOKOSA-N 2 0 336.484 1.831 20 0 EDADRP O=C(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N1CCCCCC1 ZINC000173950274 441868811 /nfs/dbraw/zinc/86/88/11/441868811.db2.gz CSALHRLADNDZET-UHFFFAOYSA-N 2 0 337.508 1.966 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccnc1 ZINC000173694918 441825657 /nfs/dbraw/zinc/82/56/57/441825657.db2.gz ZSCSPVWNIJFXNJ-SFHVURJKSA-N 2 0 347.507 1.682 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@@H]32)CC1 ZINC000069173109 441902619 /nfs/dbraw/zinc/90/26/19/441902619.db2.gz RGDVTLCLYFYKMM-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)CC1 ZINC000173999692 441875859 /nfs/dbraw/zinc/87/58/59/441875859.db2.gz WPBJNEYEJAFCQN-UHFFFAOYSA-N 2 0 345.491 1.892 20 0 EDADRP CCOCCN1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150751616 441942958 /nfs/dbraw/zinc/94/29/58/441942958.db2.gz AILJOWMBDWNGJZ-QGZVFWFLSA-N 2 0 340.512 1.328 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000175557264 442085168 /nfs/dbraw/zinc/08/51/68/442085168.db2.gz BYSMNTNWPNZRLL-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000175719767 442110944 /nfs/dbraw/zinc/11/09/44/442110944.db2.gz HNXFCXNULVHIKM-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175720691 442111061 /nfs/dbraw/zinc/11/10/61/442111061.db2.gz RMADCCBAKUMJEX-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000175772032 442119367 /nfs/dbraw/zinc/11/93/67/442119367.db2.gz PLZXNQPWNIBUSL-QGZVFWFLSA-N 2 0 341.544 1.099 20 0 EDADRP CN1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000162577050 442105133 /nfs/dbraw/zinc/10/51/33/442105133.db2.gz FIYJYWYTJVVFRS-VBROQKIQSA-N 2 0 327.350 1.820 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@@H+](C)C(C)C ZINC000176085711 442173507 /nfs/dbraw/zinc/17/35/07/442173507.db2.gz HZAQQFCLBKEWQL-UHFFFAOYSA-N 2 0 334.464 1.452 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)cc1C ZINC000127131253 442174322 /nfs/dbraw/zinc/17/43/22/442174322.db2.gz SVAHMDCOXWQLQH-OAHLLOKOSA-N 2 0 334.464 1.171 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)[C@H](C)C1 ZINC000163785703 442182867 /nfs/dbraw/zinc/18/28/67/442182867.db2.gz KLDXLJVHNOVCMK-CRAIPNDOSA-N 2 0 333.476 1.974 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000127328023 442193862 /nfs/dbraw/zinc/19/38/62/442193862.db2.gz RKLKTDPQFYPMCS-MSOLQXFVSA-N 3 0 348.535 1.914 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000164535797 442198679 /nfs/dbraw/zinc/19/86/79/442198679.db2.gz SYAQHSQVCWLUAB-INIZCTEOSA-N 2 0 339.480 1.987 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000153491107 442285249 /nfs/dbraw/zinc/28/52/49/442285249.db2.gz SWQMEZCMVHTASN-INIZCTEOSA-N 2 0 340.512 1.207 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000153696044 442296816 /nfs/dbraw/zinc/29/68/16/442296816.db2.gz MQAGWXBRMVPFKB-CQSZACIVSA-N 2 0 325.478 1.607 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCCN(c2ccccn2)C1)[N@H+](C)C1CC1 ZINC000129163076 442304096 /nfs/dbraw/zinc/30/40/96/442304096.db2.gz BOZVKNPRFQAJAF-HUUCEWRRSA-N 2 0 331.464 1.832 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000171141901 442319078 /nfs/dbraw/zinc/31/90/78/442319078.db2.gz RNBJFUMKNKMSCP-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000171210956 442329107 /nfs/dbraw/zinc/32/91/07/442329107.db2.gz RAKDHFXXOPRQIE-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC(=O)NCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177484864 442347851 /nfs/dbraw/zinc/34/78/51/442347851.db2.gz SFGUAKZAAQSUEM-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP CC[C@@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000130619112 442351564 /nfs/dbraw/zinc/35/15/64/442351564.db2.gz XRAAFUWAHCRZQG-CZUORRHYSA-N 2 0 336.455 1.882 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2c1OCO2 ZINC000153954510 442312958 /nfs/dbraw/zinc/31/29/58/442312958.db2.gz PSVFAPJRTRHZRU-UHFFFAOYSA-N 2 0 336.436 1.050 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221078 442315365 /nfs/dbraw/zinc/31/53/65/442315365.db2.gz NGZGEEOETQHASF-CVEARBPZSA-N 2 0 335.492 1.763 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N2CCO[C@@](C)(c3ccccc3)C2)CC1 ZINC000177241895 442318653 /nfs/dbraw/zinc/31/86/53/442318653.db2.gz MZZGGVCRNZOUOV-YLJYHZDGSA-N 2 0 345.487 1.787 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC([NH+]3CCCC3)CC2)ccn1 ZINC000155124128 442376877 /nfs/dbraw/zinc/37/68/77/442376877.db2.gz HHLUSDJRELRTPL-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCc2ccccc2C1 ZINC000155256643 442384087 /nfs/dbraw/zinc/38/40/87/442384087.db2.gz RMRDYQACTBKDNH-QGZVFWFLSA-N 2 0 346.519 1.926 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000171853697 442385142 /nfs/dbraw/zinc/38/51/42/442385142.db2.gz FBAPDAGMZIAFLE-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)NCc1ccn2ccnc2c1 ZINC000177609787 442362504 /nfs/dbraw/zinc/36/25/04/442362504.db2.gz JVCKKVVCBQHBBZ-CYBMUJFWSA-N 2 0 326.404 1.975 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC1=CC[NH2+]CC1 ZINC000186310893 442509550 /nfs/dbraw/zinc/50/95/50/442509550.db2.gz UGEJWEPVDGHTTF-UHFFFAOYSA-N 2 0 342.487 1.625 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000178777013 442481416 /nfs/dbraw/zinc/48/14/16/442481416.db2.gz ARIFRZVQZMCUCS-UHFFFAOYSA-N 2 0 345.535 1.663 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@H]1CCSC1 ZINC000156449588 442481834 /nfs/dbraw/zinc/48/18/34/442481834.db2.gz JHSAWAQWHZGMFM-JKSUJKDBSA-N 2 0 325.522 1.758 20 0 EDADRP CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC1CC[NH2+]CC1 ZINC000178955398 442537468 /nfs/dbraw/zinc/53/74/68/442537468.db2.gz JQAORVNNBCYHKE-UHFFFAOYSA-N 2 0 333.432 1.718 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)[C@H]2C)C1 ZINC000172856572 442556549 /nfs/dbraw/zinc/55/65/49/442556549.db2.gz XXAWTZKUJJWFLH-GVDBMIGSSA-N 2 0 325.497 1.580 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000156730785 442514867 /nfs/dbraw/zinc/51/48/67/442514867.db2.gz NHUWKCOPVXLOCF-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000186577013 442565509 /nfs/dbraw/zinc/56/55/09/442565509.db2.gz RXKOFHATTQRPQM-GVDBMIGSSA-N 2 0 340.512 1.203 20 0 EDADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H](O)Cn1cccn1 ZINC000179393412 442639392 /nfs/dbraw/zinc/63/93/92/442639392.db2.gz PYUVFCVZIRIYBR-IBGZPJMESA-N 2 0 343.475 1.878 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000186920237 442629935 /nfs/dbraw/zinc/62/99/35/442629935.db2.gz SHWVMWWVJUFRKM-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](Cn3ccnn3)C2)CC1 ZINC000192776699 442685244 /nfs/dbraw/zinc/68/52/44/442685244.db2.gz LKHKURRZONBJCV-GOSISDBHSA-N 2 0 334.512 1.406 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCCC[C@@H]2C)C1 ZINC000192628768 442670335 /nfs/dbraw/zinc/67/03/35/442670335.db2.gz KMSOPADWHMETOF-KSZLIROESA-N 2 0 339.524 1.970 20 0 EDADRP Cc1cc(NC(=O)[C@H]2C[NH2+]CCO2)ccc1OCC[NH+]1CCCC1 ZINC000188219448 442725618 /nfs/dbraw/zinc/72/56/18/442725618.db2.gz LNNNHYYJFUPPAU-QGZVFWFLSA-N 2 0 333.432 1.397 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000193356912 442735551 /nfs/dbraw/zinc/73/55/51/442735551.db2.gz IUWJKEDIXRTKDM-UHFFFAOYSA-N 2 0 330.476 1.306 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)(N2CCOCC2)C1 ZINC000193399857 442738811 /nfs/dbraw/zinc/73/88/11/442738811.db2.gz MYYLONNYAFOKOH-TXQGORRRSA-N 2 0 339.524 1.576 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182631801 442798153 /nfs/dbraw/zinc/79/81/53/442798153.db2.gz IMRQTNXSDRKLIV-HZPDHXFCSA-N 2 0 327.513 1.970 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCCN1CC[NH+](C)CC1 ZINC000265436987 442772927 /nfs/dbraw/zinc/77/29/27/442772927.db2.gz OOFCGWQWYNZMSO-UHFFFAOYSA-N 2 0 344.459 1.472 20 0 EDADRP C[C@H](CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000188791242 442814172 /nfs/dbraw/zinc/81/41/72/442814172.db2.gz GYWQRTOQZIYWBY-CQSZACIVSA-N 2 0 341.459 1.696 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000247648796 442863480 /nfs/dbraw/zinc/86/34/80/442863480.db2.gz VZBMMWNJUZMQBN-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000265676650 442875713 /nfs/dbraw/zinc/87/57/13/442875713.db2.gz IKFZSZIDPKQTTP-ONEGZZNKSA-N 2 0 331.460 1.377 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1[NH+](C)C ZINC000268161890 442878818 /nfs/dbraw/zinc/87/88/18/442878818.db2.gz IGMPSBOVDBYZEJ-CXAGYDPISA-N 2 0 336.455 1.979 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248618157 442908032 /nfs/dbraw/zinc/90/80/32/442908032.db2.gz MJLNYEAJCVLTJQ-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP CN(C(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000183342079 442923032 /nfs/dbraw/zinc/92/30/32/442923032.db2.gz OMGVKPBMCAXLJQ-IEBWSBKVSA-N 2 0 345.487 1.737 20 0 EDADRP CN(CCC[NH2+]Cc1ccc(-n2cncn2)c(F)c1)CC[NH+](C)C ZINC000623088227 450398050 /nfs/dbraw/zinc/39/80/50/450398050.db2.gz AXAAYGCVDLYYOT-UHFFFAOYSA-N 2 0 334.443 1.380 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000249143301 442956778 /nfs/dbraw/zinc/95/67/78/442956778.db2.gz WREHBXXZGXGVSD-BZUAXINKSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000249564456 442988411 /nfs/dbraw/zinc/98/84/11/442988411.db2.gz MRARGKAXMKYRPG-GPMSIDNRSA-N 2 0 345.487 1.912 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)Cn1cccn1 ZINC000189953522 443036362 /nfs/dbraw/zinc/03/63/62/443036362.db2.gz VFJFVRQRHJEMOQ-ZCQXEVHSSA-N 2 0 342.487 1.990 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCN(C)CC[NH+](C)C ZINC000623087845 450398709 /nfs/dbraw/zinc/39/87/09/450398709.db2.gz LCPBEOMOGIOLAG-UHFFFAOYSA-N 3 0 330.480 1.549 20 0 EDADRP OC[C@@H]1CCCN(c2cc(N3CC[C@@H]([NH+]4CC=CC4)C3)ncn2)C1 ZINC000266281202 443084719 /nfs/dbraw/zinc/08/47/19/443084719.db2.gz UFYMLJNWJCJLBS-HZPDHXFCSA-N 2 0 329.448 1.136 20 0 EDADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268815041 443116226 /nfs/dbraw/zinc/11/62/26/443116226.db2.gz PKBVYXRBCUDGER-NVXWUHKLSA-N 2 0 339.505 1.426 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ncc(Cl)c(N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000269021152 443174970 /nfs/dbraw/zinc/17/49/70/443174970.db2.gz FHBVOIDRLIPDAW-CHWSQXEVSA-N 2 0 338.887 1.411 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190764571 443179393 /nfs/dbraw/zinc/17/93/93/443179393.db2.gz SACSTDMIURMAMN-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046406 443181732 /nfs/dbraw/zinc/18/17/32/443181732.db2.gz QPFZBCRMXDCLEG-ZIAGYGMSSA-N 2 0 344.381 1.029 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)CC1 ZINC000262158522 443184714 /nfs/dbraw/zinc/18/47/14/443184714.db2.gz PRFOUDRLDUYRRY-GOSISDBHSA-N 3 0 336.524 1.252 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000237859413 443184825 /nfs/dbraw/zinc/18/48/25/443184825.db2.gz DISWLZUDWBQIQJ-RYQLBKOJSA-N 2 0 337.508 1.901 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[NH2+]C3CC3)c2)CC1 ZINC000237859437 443184844 /nfs/dbraw/zinc/18/48/44/443184844.db2.gz GKPJNILGMCCISL-UHFFFAOYSA-N 2 0 330.432 1.074 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)C1C[NH2+]C1 ZINC000262338358 443191387 /nfs/dbraw/zinc/19/13/87/443191387.db2.gz HPDJOFPZMZXJFH-AWEZNQCLSA-N 2 0 344.459 1.258 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236995681 443156029 /nfs/dbraw/zinc/15/60/29/443156029.db2.gz ZBWFLLMPIZZXPK-QGZVFWFLSA-N 2 0 344.503 1.948 20 0 EDADRP C(=C/CN1CC[C@@H]([NH+]2CCCC2)C1)\CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245396564 443222549 /nfs/dbraw/zinc/22/25/49/443222549.db2.gz LRIKHEHDRJZTQP-RHZFVVMASA-N 2 0 332.536 1.883 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000245440122 443228474 /nfs/dbraw/zinc/22/84/74/443228474.db2.gz UFJZBJWFVLMXFM-FGTMMUONSA-N 2 0 338.540 1.639 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000269226804 443241015 /nfs/dbraw/zinc/24/10/15/443241015.db2.gz DUSUPCVEWFVQIC-GOEBONIOSA-N 2 0 332.379 1.143 20 0 EDADRP CC[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](CC)CC)c(OC)c1 ZINC000269228230 443242035 /nfs/dbraw/zinc/24/20/35/443242035.db2.gz FZKGZCXLFIDVTN-HNNXBMFYSA-N 2 0 337.464 1.769 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269249726 443250724 /nfs/dbraw/zinc/25/07/24/443250724.db2.gz GQOXVHMHLCISNP-BHIYHBOVSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269250828 443250903 /nfs/dbraw/zinc/25/09/03/443250903.db2.gz GQOXVHMHLCISNP-NZSAHSFTSA-N 2 0 345.487 1.782 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397498227 319134545 /nfs/dbraw/zinc/13/45/45/319134545.db2.gz DEBREHYETPPXEH-SFHVURJKSA-N 3 0 335.492 1.357 20 0 EDADRP CC(C)[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397493101 319134988 /nfs/dbraw/zinc/13/49/88/319134988.db2.gz BFZHBYXJLPYYFX-OAHLLOKOSA-N 2 0 343.512 1.830 20 0 EDADRP CCCNC(=O)CCC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000411222286 319170957 /nfs/dbraw/zinc/17/09/57/319170957.db2.gz NTKQEJPLBSQOFK-QZTJIDSGSA-N 2 0 338.540 1.783 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@H]2CCC[C@@H]2C)CC1 ZINC000411628655 319190925 /nfs/dbraw/zinc/19/09/25/319190925.db2.gz WZEZBJOIEFXGOD-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413849944 319293539 /nfs/dbraw/zinc/29/35/39/319293539.db2.gz ZHIZFIAWTYOLRZ-DLBZAZTESA-N 3 0 339.528 1.138 20 0 EDADRP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414321130 319324772 /nfs/dbraw/zinc/32/47/72/319324772.db2.gz DNOYMDGFNKYHMT-IBGZPJMESA-N 2 0 345.487 1.899 20 0 EDADRP CC(C)(CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCCC1 ZINC000414664025 319338526 /nfs/dbraw/zinc/33/85/26/319338526.db2.gz SROVWGWDAMFRME-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000414673869 319339739 /nfs/dbraw/zinc/33/97/39/319339739.db2.gz RGDSQLJYWLKLJB-HNNXBMFYSA-N 2 0 346.475 1.883 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)C1 ZINC000414679205 319340704 /nfs/dbraw/zinc/34/07/04/319340704.db2.gz RHSBMTXLANEGBC-MSOLQXFVSA-N 2 0 331.460 1.127 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682680 319341498 /nfs/dbraw/zinc/34/14/98/319341498.db2.gz AELBKQAYDVQDTI-HZSPNIEDSA-N 2 0 325.478 1.715 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000414691462 319343224 /nfs/dbraw/zinc/34/32/24/319343224.db2.gz BUGWHHSFRQZMIV-JKSUJKDBSA-N 2 0 330.432 1.088 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)[NH2+]C ZINC000415237473 319355394 /nfs/dbraw/zinc/35/53/94/319355394.db2.gz IPJGTRBNKOTEHT-CQSZACIVSA-N 2 0 349.479 1.567 20 0 EDADRP CCC[C@](C)(O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269328679 443282728 /nfs/dbraw/zinc/28/27/28/443282728.db2.gz WUYITMABBLNZDM-SFHVURJKSA-N 2 0 334.464 1.261 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000416827487 319464386 /nfs/dbraw/zinc/46/43/86/319464386.db2.gz CTCBAHACHLSBLL-GOEBONIOSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000416827679 319464599 /nfs/dbraw/zinc/46/45/99/319464599.db2.gz RJWYOCCWPBLNBC-QAPCUYQASA-N 2 0 346.475 1.741 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000416836445 319465037 /nfs/dbraw/zinc/46/50/37/319465037.db2.gz ZQMWHJSRAIPLAW-OCCSQVGLSA-N 2 0 338.452 1.343 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000267016485 443313949 /nfs/dbraw/zinc/31/39/49/443313949.db2.gz BHDGCPUEEZZROT-QGZVFWFLSA-N 2 0 334.464 1.090 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC000278420308 443325149 /nfs/dbraw/zinc/32/51/49/443325149.db2.gz GCTZMRHXFSBSOU-INIZCTEOSA-N 2 0 333.476 1.979 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000418447227 319501424 /nfs/dbraw/zinc/50/14/24/319501424.db2.gz QEIDYBRQBCOBIG-NVXWUHKLSA-N 2 0 336.480 1.971 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418793638 319512403 /nfs/dbraw/zinc/51/24/03/319512403.db2.gz ORNRNTATHUIFBO-BZUAXINKSA-N 2 0 334.464 1.741 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCCNS(C)(=O)=O ZINC000266938682 443296937 /nfs/dbraw/zinc/29/69/37/443296937.db2.gz BMLOGXNQOFXGHA-UHFFFAOYSA-N 2 0 341.521 1.674 20 0 EDADRP COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc1O ZINC000272632716 443390094 /nfs/dbraw/zinc/39/00/94/443390094.db2.gz VOAFWZOZJCLRLU-UHFFFAOYSA-N 2 0 337.464 1.746 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CCCO1 ZINC000278584146 443368147 /nfs/dbraw/zinc/36/81/47/443368147.db2.gz QDPARBHLNQPGOT-IEBWSBKVSA-N 2 0 347.503 1.776 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000264767183 443415214 /nfs/dbraw/zinc/41/52/14/443415214.db2.gz UVZFCUGVFFGLGR-ROUUACIJSA-N 2 0 330.476 1.013 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccc(=O)[nH]c1 ZINC000278708807 443409590 /nfs/dbraw/zinc/40/95/90/443409590.db2.gz PQCVJBJRQSOMQO-QGZVFWFLSA-N 2 0 348.491 1.594 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)c2ccsc2)CC[NH2+]CC1 ZINC000423049644 319749246 /nfs/dbraw/zinc/74/92/46/319749246.db2.gz KCEOFKQCBVLIIA-TZMCWYRMSA-N 2 0 326.462 1.693 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2)CC[NH2+]CC1 ZINC000423049175 319749278 /nfs/dbraw/zinc/74/92/78/319749278.db2.gz JKBGXPKMELBHRX-DOTOQJQBSA-N 2 0 334.460 1.501 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C2(C)C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000423304022 319762036 /nfs/dbraw/zinc/76/20/36/319762036.db2.gz YBTZEUZWVLWXRY-QGZVFWFLSA-N 2 0 331.460 1.948 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383982 319768978 /nfs/dbraw/zinc/76/89/78/319768978.db2.gz JQNCZPYRKIFYFF-OCCSQVGLSA-N 2 0 331.386 1.223 20 0 EDADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)C1CCSCC1 ZINC000423387529 319769534 /nfs/dbraw/zinc/76/95/34/319769534.db2.gz MBELKDVHIMGAAC-YPMHNXCESA-N 2 0 325.444 1.944 20 0 EDADRP [NH3+][C@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000423403446 319771797 /nfs/dbraw/zinc/77/17/97/319771797.db2.gz HRFIEZHOAKQMNG-SFHVURJKSA-N 2 0 331.460 1.905 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H](C)[NH3+] ZINC000423452975 319777594 /nfs/dbraw/zinc/77/75/94/319777594.db2.gz ZTMUYCDDQJEWTI-HNAYVOBHSA-N 2 0 347.503 1.879 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000273019981 443520348 /nfs/dbraw/zinc/52/03/48/443520348.db2.gz CDKIUCPQFYCMBJ-INIZCTEOSA-N 2 0 345.487 1.170 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273032411 443524648 /nfs/dbraw/zinc/52/46/48/443524648.db2.gz DSNBNFNKRUIJTO-QGZVFWFLSA-N 2 0 345.487 1.867 20 0 EDADRP NC(=O)[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000273401606 443570401 /nfs/dbraw/zinc/57/04/01/443570401.db2.gz KOYUHDYALHMART-LJQANCHMSA-N 2 0 338.455 1.984 20 0 EDADRP C[C@H](C(=O)N1CCC([NH+](C)CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000272266624 443573855 /nfs/dbraw/zinc/57/38/55/443573855.db2.gz BVOMTJQFTOOIBX-MRXNPFEDSA-N 2 0 333.476 1.422 20 0 EDADRP Cc1cccc2nc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)cn21 ZINC000433151747 319972279 /nfs/dbraw/zinc/97/22/79/319972279.db2.gz JGFVHEDRIWXXLQ-UHFFFAOYSA-N 2 0 329.448 1.462 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000440225301 320065312 /nfs/dbraw/zinc/06/53/12/320065312.db2.gz IOVHFSWAKJYNCS-SJORKVTESA-N 2 0 340.512 1.346 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000440843672 320082971 /nfs/dbraw/zinc/08/29/71/320082971.db2.gz LPNQWMAHAVCAOZ-VMBOVVBDSA-N 2 0 342.553 1.843 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCn2cc(Br)ccc2=O)[C@H](C)C1 ZINC000449380339 320186027 /nfs/dbraw/zinc/18/60/27/320186027.db2.gz WGKBGHZALWOVMI-OCCSQVGLSA-N 2 0 342.281 1.931 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449727271 320202421 /nfs/dbraw/zinc/20/24/21/320202421.db2.gz PCQZSQXIWNFKSN-RDJZCZTQSA-N 2 0 330.476 1.686 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000457580819 320329118 /nfs/dbraw/zinc/32/91/18/320329118.db2.gz PJKMCOCLIIBUFP-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292991 443684546 /nfs/dbraw/zinc/68/45/46/443684546.db2.gz WIHQGYQGLPIFKO-YXJHDRRASA-N 2 0 342.443 1.304 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000519335887 320464943 /nfs/dbraw/zinc/46/49/43/320464943.db2.gz BWKLAHKGBIAIIJ-UHFFFAOYSA-N 2 0 345.447 1.587 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000298261678 443733094 /nfs/dbraw/zinc/73/30/94/443733094.db2.gz FQXBFLVJNAMQPQ-UHFFFAOYSA-N 2 0 343.475 1.715 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(Cc3ccc(-n4ccnc4)nc3)[C@H]2C1 ZINC000292739328 443832126 /nfs/dbraw/zinc/83/21/26/443832126.db2.gz AHXNTLMWZDDAJP-DLBZAZTESA-N 2 0 327.432 1.562 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc21 ZINC000530249053 320617938 /nfs/dbraw/zinc/61/79/38/320617938.db2.gz TUWKETJMKXKHLE-MRXNPFEDSA-N 2 0 329.448 1.559 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292940792 443883985 /nfs/dbraw/zinc/88/39/85/443883985.db2.gz JVUPYIJDVXDXMI-KUHUBIRLSA-N 2 0 344.459 1.530 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000561013275 321031328 /nfs/dbraw/zinc/03/13/28/321031328.db2.gz IKFMILJAKBKBSK-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP COc1ccncc1CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000562671790 321068438 /nfs/dbraw/zinc/06/84/38/321068438.db2.gz NIDGAJLAVNLZIL-SQWLQELKSA-N 2 0 332.448 1.962 20 0 EDADRP CCOC(=O)CC[C@H](O)C[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000562776435 321076129 /nfs/dbraw/zinc/07/61/29/321076129.db2.gz OZYAWOWSYRMJEW-HNNXBMFYSA-N 2 0 344.521 1.642 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562812170 321077732 /nfs/dbraw/zinc/07/77/32/321077732.db2.gz LPECCBWLOAECMR-SFHVURJKSA-N 2 0 328.460 1.727 20 0 EDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000564824068 321150140 /nfs/dbraw/zinc/15/01/40/321150140.db2.gz SUSTWGKRGNYOJX-DLBZAZTESA-N 2 0 345.491 1.370 20 0 EDADRP C[NH+](C)CCn1c2cc(NC[C@@H](O)C[N@H+](C)C3CC3)ccc2oc1=O ZINC000564863139 321152858 /nfs/dbraw/zinc/15/28/58/321152858.db2.gz IFNKGTOIWRHARO-OAHLLOKOSA-N 2 0 348.447 1.023 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000565312874 321181336 /nfs/dbraw/zinc/18/13/36/321181336.db2.gz MVHIKEHYOSZFGS-UHFFFAOYSA-N 2 0 346.519 1.500 20 0 EDADRP Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)nc1 ZINC000566078148 321213480 /nfs/dbraw/zinc/21/34/80/321213480.db2.gz VFPOPLRGGYVYFZ-BRWVUGGUSA-N 2 0 346.475 1.902 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000566108176 321215616 /nfs/dbraw/zinc/21/56/16/321215616.db2.gz DGCZJVWNNXBIBF-GOSISDBHSA-N 2 0 349.475 1.706 20 0 EDADRP Cn1cc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(-c2ccncc2)n1 ZINC000566974028 321238157 /nfs/dbraw/zinc/23/81/57/321238157.db2.gz UAOPHSLVSXSCGG-QGZVFWFLSA-N 2 0 341.459 1.669 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000567479523 321243465 /nfs/dbraw/zinc/24/34/65/321243465.db2.gz XKMQHQBAHUHPSC-OAHLLOKOSA-N 2 0 326.485 1.319 20 0 EDADRP CN1C(=O)CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662851 321251854 /nfs/dbraw/zinc/25/18/54/321251854.db2.gz WWLDYNYWMHYCHI-FJIDUMEYSA-N 2 0 341.455 1.919 20 0 EDADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)COC2CCOCC2)cc1 ZINC000567892454 321266336 /nfs/dbraw/zinc/26/63/36/321266336.db2.gz ZEKXJPRAMGCPBH-GOSISDBHSA-N 2 0 336.476 1.437 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568396852 321289854 /nfs/dbraw/zinc/28/98/54/321289854.db2.gz YVBNHUWWWMDWIM-LSDHHAIUSA-N 2 0 329.510 1.041 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+](C)C)cc1 ZINC000568884135 321310052 /nfs/dbraw/zinc/31/00/52/321310052.db2.gz IHUAJQMORZXAPZ-CPUCHLNUSA-N 2 0 348.491 1.210 20 0 EDADRP C[C@]1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]C1 ZINC000570815142 321360095 /nfs/dbraw/zinc/36/00/95/321360095.db2.gz ANXQIVFMZKEFTK-IBGZPJMESA-N 2 0 345.491 1.987 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])[C@@H](C)C1 ZINC000571082881 321370244 /nfs/dbraw/zinc/37/02/44/321370244.db2.gz WELGSTCMIGSKHS-JONQDZQNSA-N 2 0 328.501 1.548 20 0 EDADRP COCCCNC(=O)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000571648218 321394824 /nfs/dbraw/zinc/39/48/24/321394824.db2.gz HBJYFZPMNKWTMX-UHFFFAOYSA-N 2 0 345.487 1.697 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289351343 444114766 /nfs/dbraw/zinc/11/47/66/444114766.db2.gz GEHYKCDXXCELKB-QGZVFWFLSA-N 2 0 334.508 1.507 20 0 EDADRP COc1ccc(C[C@H](CO)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000289451363 444147975 /nfs/dbraw/zinc/14/79/75/444147975.db2.gz NDVHMOBNSDEULD-ULQDDVLXSA-N 2 0 334.460 1.768 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCC2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000574024248 321467419 /nfs/dbraw/zinc/46/74/19/321467419.db2.gz LICZHJDDSXTHES-DLBZAZTESA-N 2 0 334.439 1.652 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000295180726 444169229 /nfs/dbraw/zinc/16/92/29/444169229.db2.gz MSGODZVKOXFXBN-HNNXBMFYSA-N 2 0 346.475 1.392 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)CN2CCOCC2)c1 ZINC000574684661 321495624 /nfs/dbraw/zinc/49/56/24/321495624.db2.gz QMLBCKGMURXBSO-LJQANCHMSA-N 2 0 335.492 1.311 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316007 444246677 /nfs/dbraw/zinc/24/66/77/444246677.db2.gz OIBJYZBJHJTUDB-VQTJNVASSA-N 2 0 347.503 1.133 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000576758333 321593788 /nfs/dbraw/zinc/59/37/88/321593788.db2.gz NBWMZICYAZQQEL-GJZGRUSLSA-N 2 0 331.464 1.680 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CO)COC2)CC1 ZINC000305177929 444263034 /nfs/dbraw/zinc/26/30/34/444263034.db2.gz GTHPWXRVVBRGGQ-UHFFFAOYSA-N 2 0 333.476 1.317 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2 ZINC000290298335 444264278 /nfs/dbraw/zinc/26/42/78/444264278.db2.gz IGRBWZZNHXHLNA-CYBMUJFWSA-N 2 0 332.448 1.415 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CC[NH+](CCO)CC2)CC1 ZINC000305201983 444264628 /nfs/dbraw/zinc/26/46/28/444264628.db2.gz NCACBXKOPNSCBW-UHFFFAOYSA-N 2 0 346.519 1.329 20 0 EDADRP COC(=O)COC[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000296520943 444236120 /nfs/dbraw/zinc/23/61/20/444236120.db2.gz SCEJCFHEHOTYIJ-INIZCTEOSA-N 2 0 349.475 1.102 20 0 EDADRP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCCCCC1 ZINC000304304841 444245841 /nfs/dbraw/zinc/24/58/41/444245841.db2.gz IXJOBAMADKEKJX-IRXDYDNUSA-N 2 0 325.497 1.460 20 0 EDADRP Cc1cc(NC(=O)NCC[C@H]2CCC[NH2+]2)n(C2CC[NH+](C)CC2)n1 ZINC000577720890 321676158 /nfs/dbraw/zinc/67/61/58/321676158.db2.gz ZSBDCEGUUFNSKL-CQSZACIVSA-N 2 0 334.468 1.722 20 0 EDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796304 444324076 /nfs/dbraw/zinc/32/40/76/444324076.db2.gz VCIJFYCCKHEGMP-KRWDZBQOSA-N 2 0 335.473 1.563 20 0 EDADRP CC(C)OC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000305803674 444281393 /nfs/dbraw/zinc/28/13/93/444281393.db2.gz FPJSWWFEDQWJRX-WFFDWFOESA-N 2 0 325.497 1.015 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)cc1 ZINC000578171646 321732771 /nfs/dbraw/zinc/73/27/71/321732771.db2.gz OPKMTCNNYSBFSN-CRAIPNDOSA-N 2 0 346.475 1.835 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000337712643 444367775 /nfs/dbraw/zinc/36/77/75/444367775.db2.gz HWOYTFNQTPILAP-HNNXBMFYSA-N 2 0 336.505 1.965 20 0 EDADRP CN(C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000337827940 444426857 /nfs/dbraw/zinc/42/68/57/444426857.db2.gz REFYFWURLIYYMN-UHFFFAOYSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000337978830 444478281 /nfs/dbraw/zinc/47/82/81/444478281.db2.gz KVGGQTXPXDRMRW-HXUWFJFHSA-N 2 0 344.503 1.786 20 0 EDADRP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000329166158 444489915 /nfs/dbraw/zinc/48/99/15/444489915.db2.gz HXQMGYJTAASHCH-RBSFLKMASA-N 2 0 327.494 1.159 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@H](O)C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000580065000 322004229 /nfs/dbraw/zinc/00/42/29/322004229.db2.gz FZWFNNBZSAJBEQ-HOTGVXAUSA-N 2 0 345.409 1.878 20 0 EDADRP Cc1cnc2cc(C(=O)N3CCC[C@H](CN4CCOCC4)C3)ccn12 ZINC000580464052 322055777 /nfs/dbraw/zinc/05/57/77/322055777.db2.gz HQMCNSALPSRRJH-MRXNPFEDSA-N 2 0 342.443 1.827 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CCCC1 ZINC000580763818 322091819 /nfs/dbraw/zinc/09/18/19/322091819.db2.gz YYPWQTHXHQHWTE-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c(C)c2)CC1 ZINC000580821235 322099350 /nfs/dbraw/zinc/09/93/50/322099350.db2.gz KNKOEWQTFNHOSS-VQFNDLOPSA-N 2 0 343.475 1.476 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC(=O)Nc2cccnc2)CC1 ZINC000581186499 322146535 /nfs/dbraw/zinc/14/65/35/322146535.db2.gz OEEWFQVHVSFKHZ-MRXNPFEDSA-N 2 0 333.480 1.273 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000581235754 322152110 /nfs/dbraw/zinc/15/21/10/322152110.db2.gz IDLWEGHSQLUMKC-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H]2OCC[NH2+][C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000581430350 322176832 /nfs/dbraw/zinc/17/68/32/322176832.db2.gz ZZAOPDGXHQKAEW-KURKYZTESA-N 2 0 331.460 1.486 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(CC(=O)OC)CCCCC2)CC1 ZINC000581653428 322203784 /nfs/dbraw/zinc/20/37/84/322203784.db2.gz SOCITTQCHKOVMX-UHFFFAOYSA-N 2 0 339.480 1.443 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)nn1 ZINC000342138236 444528235 /nfs/dbraw/zinc/52/82/35/444528235.db2.gz MVLPXWFAGXMMSP-QGZVFWFLSA-N 2 0 342.491 1.691 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343769609 444578134 /nfs/dbraw/zinc/57/81/34/444578134.db2.gz ANJWSVHEKDWFEE-GOOCMWNKSA-N 2 0 333.476 1.324 20 0 EDADRP C[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)[N@H+](C)Cc1ccccc1 ZINC000343769193 444578142 /nfs/dbraw/zinc/57/81/42/444578142.db2.gz LAIBBIWVOPPWGK-MIGBEJBISA-N 2 0 343.471 1.438 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343856812 444630487 /nfs/dbraw/zinc/63/04/87/444630487.db2.gz ZDYYTTSBHFJWDW-HOCLYGCPSA-N 2 0 340.512 1.658 20 0 EDADRP COC(=O)[C@@H](CC(C)C)NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000338254700 444590387 /nfs/dbraw/zinc/59/03/87/444590387.db2.gz NHJCISXPTIYBJY-MRXNPFEDSA-N 2 0 341.496 1.495 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C[C@H]21 ZINC000333510750 444677194 /nfs/dbraw/zinc/67/71/94/444677194.db2.gz JBJCLKKLRVXKMN-LZDYNJKDSA-N 2 0 346.519 1.909 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000333904809 444714891 /nfs/dbraw/zinc/71/48/91/444714891.db2.gz JNVUGVYSPFYCON-HZPDHXFCSA-N 2 0 338.496 1.461 20 0 EDADRP C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000333907748 444715776 /nfs/dbraw/zinc/71/57/76/444715776.db2.gz DDOHBULVCYBSSH-HIFRSBDPSA-N 2 0 349.454 1.381 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000341187155 444717624 /nfs/dbraw/zinc/71/76/24/444717624.db2.gz CGNCYVIZQDBDQF-HUUCEWRRSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341188713 444718484 /nfs/dbraw/zinc/71/84/84/444718484.db2.gz YCMUGFDGFXXRGE-FUHWJXTLSA-N 2 0 348.491 1.143 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341207602 444729618 /nfs/dbraw/zinc/72/96/18/444729618.db2.gz UFGVUAUBBOXRBI-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1ccc(C[NH2+]C[C@@H]2CN(C)CCN2C)c(-c2cnn(C)c2)c1 ZINC000338433143 444693223 /nfs/dbraw/zinc/69/32/23/444693223.db2.gz TZZZFKDZKMMEAK-GOSISDBHSA-N 2 0 327.476 1.731 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NCCC[NH+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000341275181 444758031 /nfs/dbraw/zinc/75/80/31/444758031.db2.gz CPAYOYVCGRYXDE-DLBZAZTESA-N 2 0 346.475 1.135 20 0 EDADRP C[C@H](CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000344061536 444758451 /nfs/dbraw/zinc/75/84/51/444758451.db2.gz PURIFKRWJBANSC-MJGOQNOKSA-N 2 0 344.503 1.403 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063323 444759593 /nfs/dbraw/zinc/75/95/93/444759593.db2.gz NKAWEBNFQKEGSY-KURKYZTESA-N 2 0 340.556 1.885 20 0 EDADRP CCC[N@H+](C)CC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000341304027 444770656 /nfs/dbraw/zinc/77/06/56/444770656.db2.gz SOAYSROCQMJNGC-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000344174545 444822095 /nfs/dbraw/zinc/82/20/95/444822095.db2.gz QVLAFDGKHSNJGG-SOLBZPMBSA-N 2 0 333.476 1.498 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000341437868 444831531 /nfs/dbraw/zinc/83/15/31/444831531.db2.gz FBHOUJHLADVBJN-SFHVURJKSA-N 2 0 345.535 1.662 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000344235890 444855649 /nfs/dbraw/zinc/85/56/49/444855649.db2.gz MOYBKEGDBQVZGS-MDZRGWNJSA-N 2 0 345.487 1.600 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000337320530 445031973 /nfs/dbraw/zinc/03/19/73/445031973.db2.gz PEYLTSWAINDHOK-KSZLIROESA-N 2 0 327.513 1.434 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000337565428 445139616 /nfs/dbraw/zinc/13/96/16/445139616.db2.gz WBBLSANGNOQMIB-BZUAXINKSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147835 445095963 /nfs/dbraw/zinc/09/59/63/445095963.db2.gz DEEFEVKZWAVXKX-QRQLOZEOSA-N 2 0 342.487 1.328 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C)(C)CC2)C1 ZINC000339259960 445121423 /nfs/dbraw/zinc/12/14/23/445121423.db2.gz SQUYWPJMKRBRRJ-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[N@@H+](C)[C@H]2CCSC2)Cc2ccccc2C1 ZINC000343279488 445175714 /nfs/dbraw/zinc/17/57/14/445175714.db2.gz ZBPIPAAESIUJDB-KRWDZBQOSA-N 2 0 347.528 1.639 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000339868843 445176498 /nfs/dbraw/zinc/17/64/98/445176498.db2.gz ZPZGOMGVJBBJRQ-UHFFFAOYSA-N 2 0 346.537 1.370 20 0 EDADRP CCNC(=O)C[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000342050425 445145179 /nfs/dbraw/zinc/14/51/79/445145179.db2.gz QXQLQEVULZVZBD-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339547856 445149438 /nfs/dbraw/zinc/14/94/38/445149438.db2.gz VOVRBHZETIOGGA-HFTRVMKXSA-N 2 0 334.508 1.842 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343397058 445215389 /nfs/dbraw/zinc/21/53/89/445215389.db2.gz ISDLRWTWCKMINH-ZIFCJYIRSA-N 2 0 349.523 1.361 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000346985012 445229228 /nfs/dbraw/zinc/22/92/28/445229228.db2.gz HKDNAXWSEKNBCB-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347718962 445245665 /nfs/dbraw/zinc/24/56/65/445245665.db2.gz FYSLJNKWQHCEBK-KRWDZBQOSA-N 2 0 327.513 1.781 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCCC1=O ZINC000348323710 445256963 /nfs/dbraw/zinc/25/69/63/445256963.db2.gz SKACPXSVKHTLRX-BBWFWOEESA-N 2 0 325.497 1.460 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000354492826 445261508 /nfs/dbraw/zinc/26/15/08/445261508.db2.gz JRGAQSCRPOYBMH-DOTOQJQBSA-N 2 0 327.513 1.704 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000343680075 445299106 /nfs/dbraw/zinc/29/91/06/445299106.db2.gz OPKBMFDEBVPPFV-MRXNPFEDSA-N 2 0 340.512 1.022 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348237426 445324868 /nfs/dbraw/zinc/32/48/68/445324868.db2.gz CZLBLDSLYYIMIX-VQTJNVASSA-N 2 0 331.504 1.770 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000357086909 445418718 /nfs/dbraw/zinc/41/87/18/445418718.db2.gz RRAJJCQWNRABQX-KURKYZTESA-N 2 0 335.492 1.478 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357093857 445425073 /nfs/dbraw/zinc/42/50/73/445425073.db2.gz ZDAVMBZKWRPFNX-MRXNPFEDSA-N 2 0 344.459 1.436 20 0 EDADRP Cn1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)cn1 ZINC000348896337 445432604 /nfs/dbraw/zinc/43/26/04/445432604.db2.gz TWVBJUZGSVCACJ-UHFFFAOYSA-N 2 0 333.480 1.234 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362548519 445433221 /nfs/dbraw/zinc/43/32/21/445433221.db2.gz UTQWKUWYUQRLQU-HZPDHXFCSA-N 2 0 330.476 1.965 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000348909270 445437574 /nfs/dbraw/zinc/43/75/74/445437574.db2.gz INCRFUWALNREGA-UHFFFAOYSA-N 2 0 333.476 1.471 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000352033557 445452047 /nfs/dbraw/zinc/45/20/47/445452047.db2.gz USOIPDLCDNPSNE-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000352056611 445462928 /nfs/dbraw/zinc/46/29/28/445462928.db2.gz FBEULZPPKIJEDD-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000352068015 445470115 /nfs/dbraw/zinc/47/01/15/445470115.db2.gz MUEOVLJQBXBHPI-UHFFFAOYSA-N 2 0 333.542 1.712 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000352124948 445508557 /nfs/dbraw/zinc/50/85/57/445508557.db2.gz CAENSIZAEVNWLX-FQEVSTJZSA-N 2 0 347.503 1.718 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126381 445510062 /nfs/dbraw/zinc/51/00/62/445510062.db2.gz SHDOKXJWQPYRIU-UYAOXDASSA-N 2 0 347.503 1.718 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000362735769 445524238 /nfs/dbraw/zinc/52/42/38/445524238.db2.gz QWVPNZKDMIPCHD-BBRMVZONSA-N 2 0 332.448 1.713 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000349060666 445491725 /nfs/dbraw/zinc/49/17/25/445491725.db2.gz VLLJJCFNULTYLM-WBVHZDCISA-N 2 0 331.460 1.534 20 0 EDADRP O=C(N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357236961 445498569 /nfs/dbraw/zinc/49/85/69/445498569.db2.gz DOESCVVFWZSVGB-AOIWGVFYSA-N 2 0 335.492 1.337 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000357236529 445499039 /nfs/dbraw/zinc/49/90/39/445499039.db2.gz FLGDEGXEJVOXOV-GUYCJALGSA-N 2 0 325.416 1.103 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357644892 445572431 /nfs/dbraw/zinc/57/24/31/445572431.db2.gz ZYZOKGUWHZZJJB-BZUAXINKSA-N 2 0 328.501 1.514 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362853936 445581613 /nfs/dbraw/zinc/58/16/13/445581613.db2.gz GJIUUSNEKZOOMI-INIZCTEOSA-N 2 0 326.485 1.079 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC000357876886 445588214 /nfs/dbraw/zinc/58/82/14/445588214.db2.gz YXDOVWQATARMFO-GJZGRUSLSA-N 2 0 342.553 1.986 20 0 EDADRP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111335 445604811 /nfs/dbraw/zinc/60/48/11/445604811.db2.gz LPDUAXKZZKKSQR-CVEARBPZSA-N 2 0 345.491 1.868 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N(C)CC[NH+](C)C)CCCC2)CC1 ZINC000356102628 445622890 /nfs/dbraw/zinc/62/28/90/445622890.db2.gz XKZJMQSRWAIKBP-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353497584 445628476 /nfs/dbraw/zinc/62/84/76/445628476.db2.gz DIUMTVLFIGUWTB-GOSISDBHSA-N 2 0 330.476 1.998 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000353506699 445634843 /nfs/dbraw/zinc/63/48/43/445634843.db2.gz DJJHGTWRAIADHZ-INIZCTEOSA-N 2 0 348.447 1.413 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccc(=O)[nH]n1 ZINC000353527441 445642624 /nfs/dbraw/zinc/64/26/24/445642624.db2.gz LFLYISXCDLWSSJ-CYBMUJFWSA-N 2 0 349.479 1.460 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353575786 445662523 /nfs/dbraw/zinc/66/25/23/445662523.db2.gz DIXNBSKJVKERCR-GDBMZVCRSA-N 2 0 325.497 1.900 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000353576325 445663311 /nfs/dbraw/zinc/66/33/11/445663311.db2.gz FPBAIGUQXOEAIA-DOTOQJQBSA-N 2 0 346.475 1.840 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000349750662 445664789 /nfs/dbraw/zinc/66/47/89/445664789.db2.gz WZEQGGVFXHAAPR-DLBZAZTESA-N 2 0 338.496 1.221 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCN(C(C)=O)CC2)CC1 ZINC000349751826 445664819 /nfs/dbraw/zinc/66/48/19/445664819.db2.gz YQYBUICOYQQUDY-UHFFFAOYSA-N 2 0 344.503 1.883 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000356202934 445673491 /nfs/dbraw/zinc/67/34/91/445673491.db2.gz IJPFASCZIGOIII-OWCLPIDISA-N 2 0 333.480 1.581 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000356216432 445679617 /nfs/dbraw/zinc/67/96/17/445679617.db2.gz BEQGUQZXJSSZQT-IRXDYDNUSA-N 2 0 342.528 1.574 20 0 EDADRP CC[NH+](CC)CC(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000363109487 445681566 /nfs/dbraw/zinc/68/15/66/445681566.db2.gz XBWRIILGKVHDNH-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000349885780 445712582 /nfs/dbraw/zinc/71/25/82/445712582.db2.gz TZNHUQPGMYIPST-KRWDZBQOSA-N 2 0 328.497 1.739 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000353743308 445736100 /nfs/dbraw/zinc/73/61/00/445736100.db2.gz CJRPGYNNRWBCMQ-FUHWJXTLSA-N 3 0 346.523 1.533 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000360958871 445740450 /nfs/dbraw/zinc/74/04/50/445740450.db2.gz RNTZKFVQGISFBH-GJZGRUSLSA-N 2 0 338.496 1.807 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000363304850 445758805 /nfs/dbraw/zinc/75/88/05/445758805.db2.gz LGNRRGYASYHESF-QAPCUYQASA-N 2 0 330.476 1.750 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353794456 445759635 /nfs/dbraw/zinc/75/96/35/445759635.db2.gz MNTOHZCRPZUWHW-CEXWTWQISA-N 2 0 348.535 1.251 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000363358624 445779950 /nfs/dbraw/zinc/77/99/50/445779950.db2.gz HYZJEAXBTQNCQM-ZWKOTPCHSA-N 2 0 347.507 1.972 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H](C)C1 ZINC000361494075 445787623 /nfs/dbraw/zinc/78/76/23/445787623.db2.gz WLFNXRBXPUDBRU-CVEARBPZSA-N 2 0 325.497 1.759 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC[N@@H+]1C ZINC000350619396 445856720 /nfs/dbraw/zinc/85/67/20/445856720.db2.gz QNJUDKXLNHRJRZ-RBSFLKMASA-N 2 0 340.512 1.068 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000363655098 445863850 /nfs/dbraw/zinc/86/38/50/445863850.db2.gz AVXUEGBOKWUAIB-GOSISDBHSA-N 2 0 336.524 1.491 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000361774409 445933734 /nfs/dbraw/zinc/93/37/34/445933734.db2.gz SGOCQYMDGHMYKE-WBVHZDCISA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000354137630 445936276 /nfs/dbraw/zinc/93/62/76/445936276.db2.gz FWVDTLGBMKYVBR-INIZCTEOSA-N 2 0 327.494 1.742 20 0 EDADRP O=C(c1cccc(CN2CCOCC2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000354179505 445975308 /nfs/dbraw/zinc/97/53/08/445975308.db2.gz JWTPCLVHWCKHMA-UHFFFAOYSA-N 2 0 343.471 1.687 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCC[N@H+](C)C2CCCCC2)n1 ZINC000361820428 445976484 /nfs/dbraw/zinc/97/64/84/445976484.db2.gz ZGQUKUMELLTVEW-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000582726101 325913124 /nfs/dbraw/zinc/91/31/24/325913124.db2.gz NEGCNLKZKUYZPE-XHSDSOJGSA-N 2 0 340.512 1.101 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000350916699 445949448 /nfs/dbraw/zinc/94/94/48/445949448.db2.gz FMDIVKAWPQIFGO-QGZVFWFLSA-N 2 0 331.460 1.380 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCc4[nH]cnc4C3)CC2)CCO1 ZINC000366115199 446022180 /nfs/dbraw/zinc/02/21/80/446022180.db2.gz IIQHIZQZVHNFNL-ZIAGYGMSSA-N 2 0 347.463 1.162 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000583132972 326007842 /nfs/dbraw/zinc/00/78/42/326007842.db2.gz OZQWWYIKRRMYGH-LPHOPBHVSA-N 2 0 344.503 1.991 20 0 EDADRP COc1cc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc(Cl)c1OCC(N)=O ZINC000583263114 326037781 /nfs/dbraw/zinc/03/77/81/326037781.db2.gz MOHJUCPTHXYSIK-NXEZZACHSA-N 2 0 329.828 1.428 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000583569695 326097761 /nfs/dbraw/zinc/09/77/61/326097761.db2.gz JPEHJSMRRWNEFO-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603398 326101872 /nfs/dbraw/zinc/10/18/72/326101872.db2.gz BEPSYQHNJPGEQT-CHWSQXEVSA-N 2 0 332.370 1.896 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@@H](C)C1 ZINC000583635700 326109329 /nfs/dbraw/zinc/10/93/29/326109329.db2.gz RGIHDVPKICPKOH-BQFCYCMXSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000583646515 326111638 /nfs/dbraw/zinc/11/16/38/326111638.db2.gz UYRDKDHIVPBHFC-NVXWUHKLSA-N 2 0 343.475 1.190 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000583750897 326132537 /nfs/dbraw/zinc/13/25/37/326132537.db2.gz RZWHNMUJLBGYDO-HNAYVOBHSA-N 2 0 343.471 1.491 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)CC2(C[NH3+])CC2)c2ccccc2)CC1 ZINC000584169670 326212690 /nfs/dbraw/zinc/21/26/90/326212690.db2.gz JMMDBTTVSGKMIU-QGZVFWFLSA-N 2 0 330.476 1.220 20 0 EDADRP COC(=O)c1coc([C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373174179 446074141 /nfs/dbraw/zinc/07/41/41/446074141.db2.gz SRBMJQCFCGZJCL-HIFRSBDPSA-N 2 0 335.448 1.885 20 0 EDADRP COC(=O)c1coc([C@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373174182 446074477 /nfs/dbraw/zinc/07/44/77/446074477.db2.gz SRBMJQCFCGZJCL-ZFWWWQNUSA-N 2 0 335.448 1.885 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000373182165 446081639 /nfs/dbraw/zinc/08/16/39/446081639.db2.gz ZQABNHSZIFBCRI-WWGRRREGSA-N 2 0 325.478 1.611 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000369967275 446170549 /nfs/dbraw/zinc/17/05/49/446170549.db2.gz MPTRITVBGDRISK-FUHWJXTLSA-N 3 0 336.524 1.345 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365390769 446184392 /nfs/dbraw/zinc/18/43/92/446184392.db2.gz KOXNBNTVQYLFKT-FUHWJXTLSA-N 2 0 347.507 1.781 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366318950 446146340 /nfs/dbraw/zinc/14/63/40/446146340.db2.gz AEGIGLOUGPWULM-MRXNPFEDSA-N 2 0 338.540 1.497 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000356944836 446146849 /nfs/dbraw/zinc/14/68/49/446146849.db2.gz WDHDQOKOHPOYSP-CABCVRRESA-N 2 0 327.513 1.704 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)[C@H](C)C2)s1 ZINC000366319816 446147765 /nfs/dbraw/zinc/14/77/65/446147765.db2.gz CJHOBOKJIUUQII-KCXAZCMYSA-N 2 0 336.505 1.920 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000366328803 446155134 /nfs/dbraw/zinc/15/51/34/446155134.db2.gz WJSVHKJSNIZFHS-SFHVURJKSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356956494 446157569 /nfs/dbraw/zinc/15/75/69/446157569.db2.gz IVISGVDQTSJVBS-WMZOPIPTSA-N 2 0 339.524 1.972 20 0 EDADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000370228542 446194537 /nfs/dbraw/zinc/19/45/37/446194537.db2.gz SOHHBSDPCSLJOV-HOTGVXAUSA-N 2 0 348.495 1.925 20 0 EDADRP O=C(NC1C[NH2+]C1)[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000366412576 446200414 /nfs/dbraw/zinc/20/04/14/446200414.db2.gz CMSRYVUITXNUTR-OAHLLOKOSA-N 2 0 340.427 1.642 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000373423628 446211445 /nfs/dbraw/zinc/21/14/45/446211445.db2.gz VHPIBVNDZAGINP-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366465193 446225269 /nfs/dbraw/zinc/22/52/69/446225269.db2.gz OYKHZRJNAIUMHV-DAWZGUTISA-N 2 0 337.508 1.913 20 0 EDADRP c1cn(C2CCN(c3nccc(N[C@H]4CCCOC4)n3)CC2)cn1 ZINC000366665321 446300600 /nfs/dbraw/zinc/30/06/00/446300600.db2.gz QOYOUQFCVZYXGT-AWEZNQCLSA-N 2 0 328.420 2.106 20 0 EDADRP CC[NH+](CC)CCCN1CCN(CCC[NH+](CC)CC)CC(O)C1 ZINC000373814276 446335329 /nfs/dbraw/zinc/33/53/29/446335329.db2.gz IAGPXRWXFXENQX-UHFFFAOYSA-N 3 0 342.572 1.429 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417503781 446356146 /nfs/dbraw/zinc/35/61/46/446356146.db2.gz MKZMZCHUYGRCID-GOSISDBHSA-N 2 0 344.503 1.992 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516839 446360816 /nfs/dbraw/zinc/36/08/16/446360816.db2.gz OVOSNLJKCULPKO-SJORKVTESA-N 2 0 334.464 1.357 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417545299 446363613 /nfs/dbraw/zinc/36/36/13/446363613.db2.gz IXLVBPHTCQKDQU-AWEZNQCLSA-N 2 0 326.485 1.447 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)C2CC([NH3+])C2)[C@@H](C)C1 ZINC000417670236 446369779 /nfs/dbraw/zinc/36/97/79/446369779.db2.gz NNDGAASCNBOYEX-SLTXQBBLSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000417741401 446372043 /nfs/dbraw/zinc/37/20/43/446372043.db2.gz UCHFBNYILZZWRB-QGZVFWFLSA-N 2 0 330.476 1.479 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417824643 446374365 /nfs/dbraw/zinc/37/43/65/446374365.db2.gz BHJNWOHPXYBDCH-IMJJTQAJSA-N 2 0 339.480 1.715 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)N(C)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417922099 446386343 /nfs/dbraw/zinc/38/63/43/446386343.db2.gz IQLDARDHHKVFQZ-NVXWUHKLSA-N 2 0 330.476 1.900 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000366861271 446386451 /nfs/dbraw/zinc/38/64/51/446386451.db2.gz DWGMBBDRCLLEKF-OALUTQOASA-N 2 0 343.471 1.933 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418070703 446430934 /nfs/dbraw/zinc/43/09/34/446430934.db2.gz HHPOTLDVXHMNRD-INIZCTEOSA-N 2 0 334.464 1.314 20 0 EDADRP [NH3+]CCCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418071451 446431564 /nfs/dbraw/zinc/43/15/64/446431564.db2.gz ITCXSGATDRAYLC-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000370781044 446438855 /nfs/dbraw/zinc/43/88/55/446438855.db2.gz OWKHKAHOSVSPHF-DLBZAZTESA-N 2 0 330.476 1.722 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)cc1 ZINC000370782784 446439605 /nfs/dbraw/zinc/43/96/05/446439605.db2.gz UUXWHHORCSXNNL-UHFFFAOYSA-N 2 0 338.455 1.977 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418109799 446440713 /nfs/dbraw/zinc/44/07/13/446440713.db2.gz DDJYCUMOZDBMPA-JKSUJKDBSA-N 2 0 328.501 1.502 20 0 EDADRP CCOC(=O)c1cnn(C2CC[NH+]([C@@H](CCC[NH3+])COC)CC2)c1 ZINC000423161172 446443077 /nfs/dbraw/zinc/44/30/77/446443077.db2.gz RNVYLQWXVCYUQP-INIZCTEOSA-N 2 0 338.452 1.451 20 0 EDADRP Cc1c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)nnn1-c1ccc(C)cc1 ZINC000423206273 446453079 /nfs/dbraw/zinc/45/30/79/446453079.db2.gz QGKXURSOACTIMD-HNNXBMFYSA-N 2 0 328.464 1.440 20 0 EDADRP CC(C)[C@@H]1OCCC[C@H]1Nc1cc(NC[C@@H]2C[NH2+]CCO2)ncn1 ZINC000420277914 446446818 /nfs/dbraw/zinc/44/68/18/446446818.db2.gz IKQQQLJSWUZRDP-VBQJREDUSA-N 2 0 335.452 1.492 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000423184960 446447898 /nfs/dbraw/zinc/44/78/98/446447898.db2.gz NRIYTGYAZRTCRJ-MOPGFXCFSA-N 3 0 344.503 1.601 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000418181639 446449816 /nfs/dbraw/zinc/44/98/16/446449816.db2.gz LIMXGJFDFDLTGC-OFQRWUPVSA-N 2 0 336.484 1.086 20 0 EDADRP C[C@@H]1[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423193531 446449824 /nfs/dbraw/zinc/44/98/24/446449824.db2.gz WTCSVMVMHKQTSM-QUCCMNQESA-N 2 0 330.520 1.924 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1OCCN(CC)[C@H]1c1ccccc1 ZINC000418184404 446450571 /nfs/dbraw/zinc/45/05/71/446450571.db2.gz PWWWDSQEJHABBS-NJAFHUGGSA-N 2 0 348.491 1.746 20 0 EDADRP CCOC(=O)c1cnc2cc3c(cc2c1N1C[C@@H](C)[C@H]([NH3+])C1)OCO3 ZINC000420285452 446451442 /nfs/dbraw/zinc/45/14/42/446451442.db2.gz VPNOAEGJIQFNFA-ZWNOBZJWSA-N 2 0 343.383 1.924 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014357 446416403 /nfs/dbraw/zinc/41/64/03/446416403.db2.gz OEGZCGYDOKQFLV-MAUKXSAKSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000376293300 446417490 /nfs/dbraw/zinc/41/74/90/446417490.db2.gz JXUSRRMVLBLMJD-IRXDYDNUSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418043894 446423634 /nfs/dbraw/zinc/42/36/34/446423634.db2.gz ZGKQZNGZBNRLAY-MSOLQXFVSA-N 2 0 348.491 1.431 20 0 EDADRP C[C@@]1(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC[N@@H+]1Cc1ccccc1 ZINC000418047533 446424570 /nfs/dbraw/zinc/42/45/70/446424570.db2.gz SSRHRBOWTYCJKL-NSHGMRRFSA-N 2 0 342.487 1.902 20 0 EDADRP COCC[C@@]1(C(=O)N2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000370767062 446425533 /nfs/dbraw/zinc/42/55/33/446425533.db2.gz QZABDAMJLAFHRW-IBGZPJMESA-N 2 0 337.508 1.727 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766829 446425877 /nfs/dbraw/zinc/42/58/77/446425877.db2.gz OTQYUNDJPQOSJI-ZBFHGGJFSA-N 2 0 346.479 1.292 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418197552 446455453 /nfs/dbraw/zinc/45/54/53/446455453.db2.gz TWWRZCZATKOWEX-DDBAPUKQSA-N 2 0 328.460 1.653 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423220510 446456842 /nfs/dbraw/zinc/45/68/42/446456842.db2.gz VKHJLALNALUZAC-UPJWGTAASA-N 2 0 342.281 1.977 20 0 EDADRP C[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423243512 446463378 /nfs/dbraw/zinc/46/33/78/446463378.db2.gz GIPXPJWKHNKLKG-ZIAGYGMSSA-N 2 0 325.478 1.587 20 0 EDADRP CCn1ccnc1C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420303318 446466740 /nfs/dbraw/zinc/46/67/40/446466740.db2.gz CUEOIMKEEITJLG-IRXDYDNUSA-N 3 0 331.508 1.847 20 0 EDADRP CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420309407 446472074 /nfs/dbraw/zinc/47/20/74/446472074.db2.gz LIGVIQAGXAKOFJ-MOPGFXCFSA-N 3 0 346.519 1.870 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCCC1CCOCC1 ZINC000420310653 446473223 /nfs/dbraw/zinc/47/32/23/446473223.db2.gz MQTHVEDXBCMMRI-KRWDZBQOSA-N 2 0 325.497 1.903 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000420311821 446476124 /nfs/dbraw/zinc/47/61/24/446476124.db2.gz HXWMQOBBJLCNPM-XKQJLSEDSA-N 2 0 345.443 1.019 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420314996 446480094 /nfs/dbraw/zinc/48/00/94/446480094.db2.gz RIVLMVXLADQDKO-QZTJIDSGSA-N 2 0 332.492 1.479 20 0 EDADRP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC000420315104 446480249 /nfs/dbraw/zinc/48/02/49/446480249.db2.gz ZQYDCZYDEXSHTP-YTQUADARSA-N 2 0 348.487 1.989 20 0 EDADRP CN(CC(=O)NCCc1cccc2cccnc21)[C@H]1CCC[NH2+]CC1 ZINC000420317481 446482841 /nfs/dbraw/zinc/48/28/41/446482841.db2.gz UNKIFKKLVSYCJV-SFHVURJKSA-N 2 0 340.471 1.967 20 0 EDADRP CC1CCC(N(C)C(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000420321539 446488231 /nfs/dbraw/zinc/48/82/31/446488231.db2.gz CQERBYOLDBBLJH-SYARIVLMSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000420324739 446491577 /nfs/dbraw/zinc/49/15/77/446491577.db2.gz HOXZESNTHGPLID-GOEBONIOSA-N 2 0 335.492 1.463 20 0 EDADRP COC[C@@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000423338612 446495089 /nfs/dbraw/zinc/49/50/89/446495089.db2.gz WHLCATDGOXKTLV-MRXNPFEDSA-N 2 0 341.521 1.090 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418332354 446503302 /nfs/dbraw/zinc/50/33/02/446503302.db2.gz FHISSGKGZAKNRZ-QRQLOZEOSA-N 2 0 342.487 1.759 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000420336683 446505793 /nfs/dbraw/zinc/50/57/93/446505793.db2.gz WDLMWVZJAZMJAS-QRVBRYPASA-N 2 0 343.471 1.835 20 0 EDADRP COc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000420336410 446505883 /nfs/dbraw/zinc/50/58/83/446505883.db2.gz MIDJIYDZPCNVQE-SOUVJXGZSA-N 2 0 347.459 1.962 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000423377920 446508440 /nfs/dbraw/zinc/50/84/40/446508440.db2.gz BSNTUHCYHQBUII-VWYCJHECSA-N 2 0 349.319 1.522 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)n1 ZINC000423375751 446509059 /nfs/dbraw/zinc/50/90/59/446509059.db2.gz IVCMUOWIOOLXSP-MRXNPFEDSA-N 2 0 329.448 2.109 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418349748 446509282 /nfs/dbraw/zinc/50/92/82/446509282.db2.gz XXSBTSGGELRZJL-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000423378182 446509684 /nfs/dbraw/zinc/50/96/84/446509684.db2.gz ZKQUZDDYOLYDID-DOTOQJQBSA-N 2 0 331.460 1.707 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000420340156 446511251 /nfs/dbraw/zinc/51/12/51/446511251.db2.gz SASPGKMRCWZPSZ-KSZLIROESA-N 2 0 335.492 1.620 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1C ZINC000420345545 446516527 /nfs/dbraw/zinc/51/65/27/446516527.db2.gz VQXCHYFRQGBYMP-UHFFFAOYSA-N 2 0 333.432 1.676 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2=O)cn1 ZINC000420343104 446514711 /nfs/dbraw/zinc/51/47/11/446514711.db2.gz YSKNVMYNXZTPHI-SJORKVTESA-N 2 0 331.464 1.380 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)[C@@H](C)C1 ZINC000418323989 446498329 /nfs/dbraw/zinc/49/83/29/446498329.db2.gz GKJZYMMMSQVYCG-FUHWJXTLSA-N 2 0 347.507 1.933 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329722 446499744 /nfs/dbraw/zinc/49/97/44/446499744.db2.gz OVOOHIXTJXLLGX-GJZGRUSLSA-N 2 0 337.414 1.903 20 0 EDADRP CC[NH2+]CCNC(=O)N(Cc1ccncc1)C[C@@H]1CCC[N@@H+]1CC ZINC000418328473 446501064 /nfs/dbraw/zinc/50/10/64/446501064.db2.gz SHAWAKOPLIMKPR-KRWDZBQOSA-N 2 0 333.480 1.687 20 0 EDADRP c1ccc(OCCOCC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000420391689 446566530 /nfs/dbraw/zinc/56/65/30/446566530.db2.gz TVBYMULWYSEAOG-MOPGFXCFSA-N 2 0 346.471 1.782 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1 ZINC000423400689 446518545 /nfs/dbraw/zinc/51/85/45/446518545.db2.gz WTKZFBOSGICWHP-MSOLQXFVSA-N 2 0 333.476 1.940 20 0 EDADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N[C@H]1CCCC[NH2+]C1 ZINC000418370553 446518592 /nfs/dbraw/zinc/51/85/92/446518592.db2.gz PSAHKUIFJKWPCU-OKZBNKHCSA-N 2 0 346.475 1.063 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000418374909 446520093 /nfs/dbraw/zinc/52/00/93/446520093.db2.gz DDBKJXDBNAJYHS-PVAVHDDUSA-N 2 0 332.448 1.192 20 0 EDADRP c1ccc(-c2noc(CCC[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348855 446525677 /nfs/dbraw/zinc/52/56/77/446525677.db2.gz NAACGXFEBCCUFS-KRWDZBQOSA-N 2 0 341.459 1.649 20 0 EDADRP CCOC(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)nc1 ZINC000411421099 446533625 /nfs/dbraw/zinc/53/36/25/446533625.db2.gz IAVNVLTWQCBLJL-UHFFFAOYSA-N 2 0 334.464 1.328 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418411720 446533959 /nfs/dbraw/zinc/53/39/59/446533959.db2.gz QNGVVGLGQLDTDJ-HLLBOEOZSA-N 2 0 340.512 1.501 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC000433139395 446535530 /nfs/dbraw/zinc/53/55/30/446535530.db2.gz XCQSGZQUFVJQAQ-SFHVURJKSA-N 2 0 349.450 1.929 20 0 EDADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453106261 446545256 /nfs/dbraw/zinc/54/52/56/446545256.db2.gz YLVUWZAHIHJTJF-UAFMIMERSA-N 3 0 331.504 1.942 20 0 EDADRP CCOC(=O)c1cnc(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)s1 ZINC000420368975 446548027 /nfs/dbraw/zinc/54/80/27/446548027.db2.gz XFVLHBWRDCNPKT-CYBMUJFWSA-N 2 0 338.477 1.441 20 0 EDADRP COc1cccc(OCC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000420369101 446548329 /nfs/dbraw/zinc/54/83/29/446548329.db2.gz BNZXDSRGZXXTNV-HNNXBMFYSA-N 2 0 331.420 1.461 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCOCCOc3ccccc3)C2)nn1 ZINC000420369027 446549446 /nfs/dbraw/zinc/54/94/46/446549446.db2.gz BFSHVZKQMGQDLY-QGZVFWFLSA-N 2 0 345.447 1.469 20 0 EDADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000453202075 446551038 /nfs/dbraw/zinc/55/10/38/446551038.db2.gz YEUACLVVTHMDMV-LPHOPBHVSA-N 2 0 348.487 1.927 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418472076 446556231 /nfs/dbraw/zinc/55/62/31/446556231.db2.gz SAEUUICRUIEQEV-KURKYZTESA-N 2 0 348.491 1.439 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@H]3C)cc2)CC1 ZINC000423637244 446620229 /nfs/dbraw/zinc/62/02/29/446620229.db2.gz BZIXWRRXXMQVDI-CRAIPNDOSA-N 2 0 330.476 1.779 20 0 EDADRP CCc1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000420397877 446571251 /nfs/dbraw/zinc/57/12/51/446571251.db2.gz GAIANKGXSNJGEB-OALUTQOASA-N 2 0 342.487 1.969 20 0 EDADRP COC[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(F)c(F)c1 ZINC000420405024 446578150 /nfs/dbraw/zinc/57/81/50/446578150.db2.gz MRWXWOVXPOUPRY-OAHLLOKOSA-N 2 0 327.375 1.064 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418520863 446578615 /nfs/dbraw/zinc/57/86/15/446578615.db2.gz HYYVECXLCLNHFY-QRVBRYPASA-N 2 0 342.487 1.759 20 0 EDADRP CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406475 446579663 /nfs/dbraw/zinc/57/96/63/446579663.db2.gz RLNZVBDGKDMQSA-UHFFFAOYSA-N 2 0 332.400 1.895 20 0 EDADRP Cc1ccc(CC[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405967 446579994 /nfs/dbraw/zinc/57/99/94/446579994.db2.gz QFRBQHOJRBAGMD-MOPGFXCFSA-N 2 0 342.487 1.758 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)CC2 ZINC000423636054 446618790 /nfs/dbraw/zinc/61/87/90/446618790.db2.gz AVNGOCBDQVORFO-SWLSCSKDSA-N 2 0 333.432 1.010 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418547563 446589611 /nfs/dbraw/zinc/58/96/11/446589611.db2.gz JFMHEURDPZKOGZ-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418571736 446599636 /nfs/dbraw/zinc/59/96/36/446599636.db2.gz ZGGPOFJEESGKMW-DLBZAZTESA-N 2 0 346.475 1.582 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418574086 446600707 /nfs/dbraw/zinc/60/07/07/446600707.db2.gz LUGDFPAIJAJDLX-BBWFWOEESA-N 3 0 339.528 1.042 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000418586748 446603501 /nfs/dbraw/zinc/60/35/01/446603501.db2.gz AGWMWBBSYQUTIR-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)N1CCC2(CCCCC2)CC1 ZINC000420460962 446639214 /nfs/dbraw/zinc/63/92/14/446639214.db2.gz STPLPMOCGXSXPN-UHFFFAOYSA-N 2 0 346.541 1.277 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C[C@H](C)O ZINC000418667475 446641992 /nfs/dbraw/zinc/64/19/92/446641992.db2.gz MQZDQUVIHOGMPF-LUKYLMHMSA-N 2 0 340.512 1.238 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1CC ZINC000418732396 446659304 /nfs/dbraw/zinc/65/93/04/446659304.db2.gz JMTOASWWHXFESX-IKGGRYGDSA-N 2 0 340.512 1.646 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423725592 446662259 /nfs/dbraw/zinc/66/22/59/446662259.db2.gz JESQOMPWSGUWKL-APWZRJJASA-N 2 0 333.476 1.897 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000418743389 446664630 /nfs/dbraw/zinc/66/46/30/446664630.db2.gz ANXOLOASLBMIKT-LSDHHAIUSA-N 2 0 326.485 1.005 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000376721881 446677636 /nfs/dbraw/zinc/67/76/36/446677636.db2.gz RFFDUUMZHBNEIH-QGZVFWFLSA-N 2 0 331.460 1.145 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418627796 446622136 /nfs/dbraw/zinc/62/21/36/446622136.db2.gz OCANICGRIXGPHX-BPQIPLTHSA-N 2 0 330.476 1.758 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000376644093 446624813 /nfs/dbraw/zinc/62/48/13/446624813.db2.gz ZLXFULBILNZMGD-QGZVFWFLSA-N 2 0 330.476 1.649 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418652081 446634422 /nfs/dbraw/zinc/63/44/22/446634422.db2.gz MKFNDZRWFFLKHI-KYHPRHEASA-N 2 0 330.476 1.936 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418654552 446635430 /nfs/dbraw/zinc/63/54/30/446635430.db2.gz PURIKAUZECBGDI-WMZOPIPTSA-N 2 0 348.491 1.395 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423757581 446687512 /nfs/dbraw/zinc/68/75/12/446687512.db2.gz LOPFAAPUUFXWDW-QAPCUYQASA-N 2 0 339.480 1.285 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000423763132 446692023 /nfs/dbraw/zinc/69/20/23/446692023.db2.gz RAUASAMIKFVPQQ-HNNXBMFYSA-N 2 0 348.495 1.367 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418774494 446692369 /nfs/dbraw/zinc/69/23/69/446692369.db2.gz YSHFIPSGLKAYPY-ULQDDVLXSA-N 2 0 340.512 1.565 20 0 EDADRP COc1cc2nc(NC3CCC([NH+](C)C)CC3)nc(N)c2cc1OC ZINC000420626984 446709027 /nfs/dbraw/zinc/70/90/27/446709027.db2.gz MZOUJROIRJVNNC-UHFFFAOYSA-N 2 0 345.447 1.936 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836033 446740329 /nfs/dbraw/zinc/74/03/29/446740329.db2.gz OTKPYSOTWPFPPJ-HNNXBMFYSA-N 2 0 340.512 1.199 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C(C)C ZINC000420662898 446731141 /nfs/dbraw/zinc/73/11/41/446731141.db2.gz BXPXFGNLGZDOIE-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP CCCCCC[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338437 446734141 /nfs/dbraw/zinc/73/41/41/446734141.db2.gz YEEFQUVLABWLIE-IBGZPJMESA-N 2 0 341.540 1.658 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)CCOC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423905863 446756347 /nfs/dbraw/zinc/75/63/47/446756347.db2.gz PSARSKFXAXHALB-SJLPKXTDSA-N 2 0 345.487 1.782 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418864409 446759181 /nfs/dbraw/zinc/75/91/81/446759181.db2.gz QKYGZLAWGSUSDU-DLBZAZTESA-N 2 0 348.491 1.067 20 0 EDADRP [NH3+]C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000423935635 446787440 /nfs/dbraw/zinc/78/74/40/446787440.db2.gz ALECVEFOLFUSLE-IBGZPJMESA-N 2 0 344.503 1.832 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000418935156 446809674 /nfs/dbraw/zinc/80/96/74/446809674.db2.gz GMHYYHLPNULZDX-DOTOQJQBSA-N 2 0 346.475 1.011 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016143 446823822 /nfs/dbraw/zinc/82/38/22/446823822.db2.gz BRWKIGFXRYVHNS-INIZCTEOSA-N 3 0 332.492 1.484 20 0 EDADRP C[N@@H+]1CCCC12CCN(C(=O)[C@H]1COCCN1CC1CCC1)CC2 ZINC000376987243 446842046 /nfs/dbraw/zinc/84/20/46/446842046.db2.gz HHDMSECEDNJDOH-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424147280 446859688 /nfs/dbraw/zinc/85/96/88/446859688.db2.gz RFXYFIGWSJTIAE-CABCVRRESA-N 2 0 334.468 1.149 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000412109901 446864808 /nfs/dbraw/zinc/86/48/08/446864808.db2.gz QJNJBVZVEFLSLO-LJQANCHMSA-N 2 0 344.503 1.648 20 0 EDADRP CC(=O)c1ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000412117197 446870397 /nfs/dbraw/zinc/87/03/97/446870397.db2.gz AUNOQTZMFGNTKY-UHFFFAOYSA-N 2 0 340.493 1.691 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC000368482298 446889946 /nfs/dbraw/zinc/88/99/46/446889946.db2.gz JJPXEYXXLRXLDK-OAHLLOKOSA-N 2 0 329.510 1.076 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419135380 446944642 /nfs/dbraw/zinc/94/46/42/446944642.db2.gz MJCXZBRHNZXTOB-LSDHHAIUSA-N 2 0 342.528 1.301 20 0 EDADRP CCN1CCO[C@H](C(=O)NC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000372154632 447020393 /nfs/dbraw/zinc/02/03/93/447020393.db2.gz BBICLRJVUUYEOC-QRQLOZEOSA-N 2 0 345.487 1.734 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200536 446988805 /nfs/dbraw/zinc/98/88/05/446988805.db2.gz YSWBTXHEQVFQBM-NPYXIHBLSA-N 2 0 334.508 1.192 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1 ZINC000368702147 447051811 /nfs/dbraw/zinc/05/18/11/447051811.db2.gz RIHGAWGPVCLMMQ-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP CCc1nc(CN2CCCN(C(=O)/C=C/C[NH+](C)C)CC2)cs1 ZINC000375806849 447067784 /nfs/dbraw/zinc/06/77/84/447067784.db2.gz ATUYFAPRURXLQR-FNORWQNLSA-N 2 0 336.505 1.858 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000368795430 447113072 /nfs/dbraw/zinc/11/30/72/447113072.db2.gz GBLUTKJQLDEHNP-RYQLBKOJSA-N 2 0 331.460 1.344 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)C1(C)C ZINC000444185043 447091404 /nfs/dbraw/zinc/09/14/04/447091404.db2.gz PWSQBAWJNZHDCE-FSZRXZPDSA-N 2 0 325.497 1.898 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[N@H+](CCCOC)CC2)C1(C)C ZINC000372509864 447097908 /nfs/dbraw/zinc/09/79/08/447097908.db2.gz YSPSQMMOOVJXKG-QAPCUYQASA-N 2 0 341.496 1.090 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000375908118 447138609 /nfs/dbraw/zinc/13/86/09/447138609.db2.gz VEIIXNADZNXVBE-LPHOPBHVSA-N 2 0 335.467 1.959 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000372569760 447149915 /nfs/dbraw/zinc/14/99/15/447149915.db2.gz CEYRWHBUUXWLPL-SFHVURJKSA-N 2 0 344.503 1.799 20 0 EDADRP Cc1csc(=O)n1CC[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375904017 447134528 /nfs/dbraw/zinc/13/45/28/447134528.db2.gz JBGOXXOMBGJUQJ-MRXNPFEDSA-N 2 0 338.521 1.319 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000419432823 447172983 /nfs/dbraw/zinc/17/29/83/447172983.db2.gz YMWJEEHESVCQDY-HUUCEWRRSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000455656674 447199155 /nfs/dbraw/zinc/19/91/55/447199155.db2.gz KTZOHPXEXILKLP-AWEZNQCLSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000455667791 447203821 /nfs/dbraw/zinc/20/38/21/447203821.db2.gz JVYMESRPAZYJQA-UHFFFAOYSA-N 2 0 336.484 1.832 20 0 EDADRP C[N@H+](CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)C1CCCCC1 ZINC000446258627 447247517 /nfs/dbraw/zinc/24/75/17/447247517.db2.gz NVNFQQBUEQFDMA-FRQCXROJSA-N 2 0 337.508 1.900 20 0 EDADRP CN(C(=O)NC1CC[NH+](C)CC1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000368954141 447223087 /nfs/dbraw/zinc/22/30/87/447223087.db2.gz FEKMHPFBVPOIOY-UHFFFAOYSA-N 2 0 331.464 1.786 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419513960 447236545 /nfs/dbraw/zinc/23/65/45/447236545.db2.gz NGOBVKVFRCAIGD-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP CN1CC[NH+](C[C@H]2CCCN(Cc3cc(C(N)=O)cs3)C2)CC1 ZINC000377630049 447256269 /nfs/dbraw/zinc/25/62/69/447256269.db2.gz RZGRJKAOQCPDSQ-CQSZACIVSA-N 2 0 336.505 1.306 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676924 447265077 /nfs/dbraw/zinc/26/50/77/447265077.db2.gz IABTVVBKJRHCHF-RCCFBDPRSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCc2nnnn2CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000421882971 447266808 /nfs/dbraw/zinc/26/68/08/447266808.db2.gz SHKPHIHSCAPNTG-ZBFHGGJFSA-N 2 0 344.463 1.669 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)ccc1C[NH+](C)C ZINC000415452976 447449262 /nfs/dbraw/zinc/44/92/62/447449262.db2.gz UINQHSUWWWGDMR-CJNGLKHVSA-N 2 0 332.448 1.191 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NCC1CC[NH+](C2CC2)CC1 ZINC000458707199 447458401 /nfs/dbraw/zinc/45/84/01/447458401.db2.gz NXHHNILPFMXBMY-QGZVFWFLSA-N 2 0 338.496 1.007 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415506321 447485673 /nfs/dbraw/zinc/48/56/73/447485673.db2.gz ZUCRXFXSUOSLCV-MRXNPFEDSA-N 2 0 334.464 1.363 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000390920086 447505895 /nfs/dbraw/zinc/50/58/95/447505895.db2.gz HIMYZGQGTZCFBP-GOSISDBHSA-N 2 0 345.487 1.913 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000391033973 447510093 /nfs/dbraw/zinc/51/00/93/447510093.db2.gz XVSYBLXBBKIQLE-MOPGFXCFSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000416209810 447538716 /nfs/dbraw/zinc/53/87/16/447538716.db2.gz MSXFKWPHMLQLPR-SOLBZPMBSA-N 2 0 333.476 1.593 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420006649 447541778 /nfs/dbraw/zinc/54/17/78/447541778.db2.gz ZLGVAWIPPSEGNM-QGZVFWFLSA-N 2 0 348.491 1.196 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000459032924 447546662 /nfs/dbraw/zinc/54/66/62/447546662.db2.gz BQXYPBCYQZXGOS-RYQLBKOJSA-N 2 0 348.491 1.119 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457820279 447640874 /nfs/dbraw/zinc/64/08/74/447640874.db2.gz VFXPUAAOWRYVMQ-JKSUJKDBSA-N 2 0 328.501 1.109 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000404519264 447600430 /nfs/dbraw/zinc/60/04/30/447600430.db2.gz UZBAWYQDFBKWRP-CUSZFKRNSA-N 2 0 331.460 1.485 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457692415 447620251 /nfs/dbraw/zinc/62/02/51/447620251.db2.gz NPOBCOTVPOTENS-VQHPVUNQSA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416854751 447696322 /nfs/dbraw/zinc/69/63/22/447696322.db2.gz VISCYJZJRDACHQ-MRXNPFEDSA-N 2 0 334.464 1.741 20 0 EDADRP O[C@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000459419416 447658669 /nfs/dbraw/zinc/65/86/69/447658669.db2.gz AMRBCDCTRDJZEN-FQEVSTJZSA-N 3 0 329.488 1.840 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000457932424 447676539 /nfs/dbraw/zinc/67/65/39/447676539.db2.gz MASHMLLAJAIRSU-ZACQAIPSSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000416936567 447715486 /nfs/dbraw/zinc/71/54/86/447715486.db2.gz BYGHQQCQDXQKOM-SJJOOFSGSA-N 2 0 338.496 1.410 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000416939705 447717351 /nfs/dbraw/zinc/71/73/51/447717351.db2.gz NJZCEZSAZKLABD-UHFFFAOYSA-N 2 0 347.507 1.981 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC(C)(C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416947579 447722490 /nfs/dbraw/zinc/72/24/90/447722490.db2.gz GZDAGSHVNLNWJD-INIZCTEOSA-N 2 0 342.528 1.940 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@@H](C)O1 ZINC000416947951 447722834 /nfs/dbraw/zinc/72/28/34/447722834.db2.gz PLFORGZWDOPQGB-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000422713355 447724032 /nfs/dbraw/zinc/72/40/32/447724032.db2.gz JMFVDUYMRFXDKC-UHFFFAOYSA-N 3 0 346.523 1.486 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+]C2CC[NH2+]CC2)s1 ZINC000422717078 447726736 /nfs/dbraw/zinc/72/67/36/447726736.db2.gz ODMAUSKDJWGEPU-UHFFFAOYSA-N 2 0 345.534 1.663 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CN[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719312 447727803 /nfs/dbraw/zinc/72/78/03/447727803.db2.gz YKJZZSCCNZPVBO-QFBILLFUSA-N 2 0 335.492 1.731 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000416958377 447727924 /nfs/dbraw/zinc/72/79/24/447727924.db2.gz OZHZCXHZCYNDFQ-CVEARBPZSA-N 2 0 327.517 1.075 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422762040 447742498 /nfs/dbraw/zinc/74/24/98/447742498.db2.gz NJKOQRKINDWXHQ-HZPDHXFCSA-N 2 0 339.505 1.865 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000422851091 447769839 /nfs/dbraw/zinc/76/98/39/447769839.db2.gz OJJQBOLICMCWIV-QGZVFWFLSA-N 2 0 327.513 1.613 20 0 EDADRP c1ccc2nc(NCC[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)ccc2c1 ZINC000422917662 447772631 /nfs/dbraw/zinc/77/26/31/447772631.db2.gz FKJCCXOTIVOVSG-MJGOQNOKSA-N 2 0 326.444 2.003 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000422951100 447778708 /nfs/dbraw/zinc/77/87/08/447778708.db2.gz XNOCPFTUMQNEEW-YQQAZPJKSA-N 2 0 349.475 1.576 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000422974847 447785843 /nfs/dbraw/zinc/78/58/43/447785843.db2.gz RVIIXKFMYADZMQ-HZPDHXFCSA-N 3 0 325.497 1.629 20 0 EDADRP COc1ccc([C@@H](NCC2(O)CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422977416 447785989 /nfs/dbraw/zinc/78/59/89/447785989.db2.gz KBKSGGZBNNYCCK-QZTJIDSGSA-N 2 0 333.476 1.535 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@H](O)Cc2ccccc2)CC[NH2+]CC1 ZINC000422995533 447788956 /nfs/dbraw/zinc/78/89/56/447788956.db2.gz KILAKJDPVUWIRX-XYJFISCASA-N 2 0 348.487 1.890 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000451995439 447798504 /nfs/dbraw/zinc/79/85/04/447798504.db2.gz WTVSCSLVWHWIKY-IAGOWNOFSA-N 2 0 338.540 1.497 20 0 EDADRP CCCN1CCC[C@H]1C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423110002 447806882 /nfs/dbraw/zinc/80/68/82/447806882.db2.gz OJGHJRDGUPGHHC-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCCC[NH2+]C(C)(C)C)CC1 ZINC000496561083 447820047 /nfs/dbraw/zinc/82/00/47/447820047.db2.gz DNKUPHMOVDZPCI-UHFFFAOYSA-N 2 0 327.473 1.499 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134041 447880530 /nfs/dbraw/zinc/88/05/30/447880530.db2.gz RLDLEZVFKLOUIB-YOEHRIQHSA-N 2 0 329.485 1.584 20 0 EDADRP C[N@H+](CC[C@@H]1CCNC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000570104531 447947553 /nfs/dbraw/zinc/94/75/53/447947553.db2.gz LBQGMLDESWNCOV-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000576000903 447949160 /nfs/dbraw/zinc/94/91/60/447949160.db2.gz OOBTXEAVPBNSGX-QRQLOZEOSA-N 2 0 345.487 1.327 20 0 EDADRP CC(C)[N@@H+]1CCCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000497204629 447956692 /nfs/dbraw/zinc/95/66/92/447956692.db2.gz XQYBDRXIPGSLFW-GOSISDBHSA-N 2 0 336.480 1.277 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530574975 447917379 /nfs/dbraw/zinc/91/73/79/447917379.db2.gz OQBFNURSMIGBKF-IBGZPJMESA-N 2 0 333.476 1.327 20 0 EDADRP CC[N@H+](CCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C(C)C ZINC000530814800 447963729 /nfs/dbraw/zinc/96/37/29/447963729.db2.gz IDQJWKOOLGJFPP-IBGZPJMESA-N 2 0 333.476 1.470 20 0 EDADRP O=C1OCCN1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000496866635 447984977 /nfs/dbraw/zinc/98/49/77/447984977.db2.gz QSOOELZDKKSHRC-MAUKXSAKSA-N 2 0 331.416 1.674 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCC(=O)c1ccc(F)cc1 ZINC000531118986 448023422 /nfs/dbraw/zinc/02/34/22/448023422.db2.gz TZDYJBGZJXPOSJ-UHFFFAOYSA-N 2 0 337.439 1.740 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000576463022 448061428 /nfs/dbraw/zinc/06/14/28/448061428.db2.gz FBCUKMXCAABJTN-UOVPBQLFSA-N 2 0 348.491 1.294 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000576460414 448060372 /nfs/dbraw/zinc/06/03/72/448060372.db2.gz VWKCTBGEYVMRJP-RBUKOAKNSA-N 2 0 336.476 1.376 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000570836388 448072978 /nfs/dbraw/zinc/07/29/78/448072978.db2.gz GUOXWIYQLIUBAI-QAPCUYQASA-N 2 0 347.459 1.459 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000571043944 448098074 /nfs/dbraw/zinc/09/80/74/448098074.db2.gz GNLRXUKVBBHEPX-GOSISDBHSA-N 2 0 328.460 1.906 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502391923 448101386 /nfs/dbraw/zinc/10/13/86/448101386.db2.gz LCGYYEPERDWXIP-RYQLBKOJSA-N 2 0 349.523 1.848 20 0 EDADRP CC[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1cccc(C)c1 ZINC000514669300 448182643 /nfs/dbraw/zinc/18/26/43/448182643.db2.gz ZXBQTOPFDMHAKD-QZTJIDSGSA-N 2 0 335.492 1.350 20 0 EDADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n(C(C)(C)C)n1 ZINC000527126707 448164782 /nfs/dbraw/zinc/16/47/82/448164782.db2.gz LQTOVLRKUVMFHV-UHFFFAOYSA-N 2 0 338.500 1.904 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577164693 448222453 /nfs/dbraw/zinc/22/24/53/448222453.db2.gz WNFVYEBCLOQGIW-JQHSSLGASA-N 2 0 330.476 1.948 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000532491354 448265200 /nfs/dbraw/zinc/26/52/00/448265200.db2.gz JKCBHIPTDOMYLN-AZOIQLNYSA-N 2 0 344.459 1.561 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOCc2ccc(Cl)cc2)CC1 ZINC000582541449 448266524 /nfs/dbraw/zinc/26/65/24/448266524.db2.gz BRCYJHOHOWBIHE-KRWDZBQOSA-N 2 0 341.883 1.055 20 0 EDADRP C[NH2+]C[C@](C)(O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572167394 448306347 /nfs/dbraw/zinc/30/63/47/448306347.db2.gz DOROHPMLMGAZEM-PMACEKPBSA-N 3 0 331.504 1.945 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[N@@H+]1C1CC1 ZINC000515504729 448324388 /nfs/dbraw/zinc/32/43/88/448324388.db2.gz DELDBAUTSSNORH-UKPHBRMFSA-N 2 0 337.533 1.945 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000515350076 448294512 /nfs/dbraw/zinc/29/45/12/448294512.db2.gz ZETWCAAKYFFYKK-HXUWFJFHSA-N 2 0 344.503 1.062 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnc([C@@H]2CCCO2)s1 ZINC000572324188 448344183 /nfs/dbraw/zinc/34/41/83/448344183.db2.gz MKDOHRKYJHTNGH-HNNXBMFYSA-N 2 0 326.510 1.920 20 0 EDADRP Cc1ncc(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC000565194958 448358881 /nfs/dbraw/zinc/35/88/81/448358881.db2.gz BLSJRVLEPARZDH-HNNXBMFYSA-N 2 0 325.416 1.506 20 0 EDADRP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000533111961 448360425 /nfs/dbraw/zinc/36/04/25/448360425.db2.gz OJXIBSHFKCCLGZ-AEFFLSMTSA-N 2 0 346.475 1.281 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000527794828 448362058 /nfs/dbraw/zinc/36/20/58/448362058.db2.gz IVAMQGUOSCJSSD-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccc(Cl)cc1 ZINC000516050728 448372443 /nfs/dbraw/zinc/37/24/43/448372443.db2.gz YSFJXOSGXSLMSN-HOCLYGCPSA-N 2 0 341.883 1.305 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493089095 448369678 /nfs/dbraw/zinc/36/96/78/448369678.db2.gz IPDPRDCVQJAKOJ-PVJKAEHXSA-N 2 0 331.460 1.548 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NC[C@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857456 448404791 /nfs/dbraw/zinc/40/47/91/448404791.db2.gz IUHROKHDYIZQKG-DOTOQJQBSA-N 2 0 343.471 1.570 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000516273633 448406470 /nfs/dbraw/zinc/40/64/70/448406470.db2.gz JIIMAPIWCICQFQ-MAUKXSAKSA-N 2 0 331.460 1.637 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023580 448406645 /nfs/dbraw/zinc/40/66/45/448406645.db2.gz YLTJLWWQAWJUBA-DNLWUEFJSA-N 2 0 337.512 1.065 20 0 EDADRP COc1cc(CNC(=O)[C@H](C)[NH2+]C2CC2)ccc1OCC[NH+](C)C ZINC000516070459 448376885 /nfs/dbraw/zinc/37/68/85/448376885.db2.gz FNKWOUHBBDTEDC-ZDUSSCGKSA-N 2 0 335.448 1.392 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000516098036 448380537 /nfs/dbraw/zinc/38/05/37/448380537.db2.gz GOAZLZYOKQKJPG-MXEMCNAFSA-N 2 0 343.515 1.868 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000578122740 448465966 /nfs/dbraw/zinc/46/59/66/448465966.db2.gz JSZGETMOILDYBJ-IEBWSBKVSA-N 2 0 348.491 1.113 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000566444448 448473237 /nfs/dbraw/zinc/47/32/37/448473237.db2.gz NLQINTOZZPARFX-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000578273662 448503203 /nfs/dbraw/zinc/50/32/03/448503203.db2.gz UPCSXKRYMVVITR-GOSISDBHSA-N 2 0 349.475 1.849 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146967 448543828 /nfs/dbraw/zinc/54/38/28/448543828.db2.gz RDJSNRGXZWQUHY-STQMWFEESA-N 2 0 333.461 1.281 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000578728913 448619533 /nfs/dbraw/zinc/61/95/33/448619533.db2.gz VOVGICJLUOAJBE-IRXDYDNUSA-N 2 0 332.448 1.193 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000573316979 448595365 /nfs/dbraw/zinc/59/53/65/448595365.db2.gz SJPNCRNJBYRPSA-YRXWBPOGSA-N 3 0 341.540 1.558 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@H](C)C1 ZINC000528706841 448638810 /nfs/dbraw/zinc/63/88/10/448638810.db2.gz DYLLXTHALOXLLK-ZIAGYGMSSA-N 2 0 348.447 1.087 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528713994 448642201 /nfs/dbraw/zinc/64/22/01/448642201.db2.gz LTQXNLUKLQBIRI-UHFFFAOYSA-N 2 0 332.448 1.974 20 0 EDADRP C[N@H+](C[C@H](O)CNc1cccc(C[NH+]2CCC(O)CC2)c1)C1CC1 ZINC000567262938 448652324 /nfs/dbraw/zinc/65/23/24/448652324.db2.gz HYOAXBPSYRSHHZ-LJQANCHMSA-N 2 0 333.476 1.510 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000579002871 448693043 /nfs/dbraw/zinc/69/30/43/448693043.db2.gz USXQDBSTFGHTJU-KRWDZBQOSA-N 2 0 331.460 1.081 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528845444 448693837 /nfs/dbraw/zinc/69/38/37/448693837.db2.gz FNICWCLMZPFDGR-IBGZPJMESA-N 2 0 346.475 1.731 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000579005162 448694305 /nfs/dbraw/zinc/69/43/05/448694305.db2.gz FYWBXQXKSHECEK-OKZBNKHCSA-N 2 0 331.460 1.301 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000567603938 448722795 /nfs/dbraw/zinc/72/27/95/448722795.db2.gz CSAWQDJYVAQKLM-WFXMFSGNSA-N 2 0 347.507 1.982 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCN(C)C3(CCCCC3)C2)C[C@@H](C)O1 ZINC000573979182 448761410 /nfs/dbraw/zinc/76/14/10/448761410.db2.gz LSGUQJURJHBORZ-KZNAEPCWSA-N 2 0 339.524 1.407 20 0 EDADRP COc1ccc2nc(C)nc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000574010598 448767222 /nfs/dbraw/zinc/76/72/22/448767222.db2.gz IEIRZKASEBIRJQ-GASCZTMLSA-N 2 0 328.416 2.222 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000528996579 448731484 /nfs/dbraw/zinc/73/14/84/448731484.db2.gz YUFXLGGPFHXLLA-INIZCTEOSA-N 2 0 348.495 1.973 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1(O)CCS(=O)(=O)CC1 ZINC000567678037 448733570 /nfs/dbraw/zinc/73/35/70/448733570.db2.gz IHTZYYHFCQMZNS-HNNXBMFYSA-N 2 0 332.510 1.170 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000574159799 448805920 /nfs/dbraw/zinc/80/59/20/448805920.db2.gz KIEZEBWPOMMQEI-SJLPKXTDSA-N 2 0 339.443 1.506 20 0 EDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000568051622 448807481 /nfs/dbraw/zinc/80/74/81/448807481.db2.gz UJDLZRKTVHZFQE-QAPCUYQASA-N 2 0 329.448 1.622 20 0 EDADRP C[C@]1(CO)CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000545400836 448794012 /nfs/dbraw/zinc/79/40/12/448794012.db2.gz AUTOHHJUBYNGFB-HXUWFJFHSA-N 2 0 345.487 1.745 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@H]2CC[NH2+]C2)CC1 ZINC000567990651 448794631 /nfs/dbraw/zinc/79/46/31/448794631.db2.gz RUWXYJCPYKEBIR-IBGZPJMESA-N 2 0 344.503 1.323 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529334510 448830425 /nfs/dbraw/zinc/83/04/25/448830425.db2.gz UONFFIWIPLDHDQ-ULQDDVLXSA-N 2 0 338.496 1.304 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000529373708 448846009 /nfs/dbraw/zinc/84/60/09/448846009.db2.gz CEJZJDHDGBWGGR-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000547339788 448870471 /nfs/dbraw/zinc/87/04/71/448870471.db2.gz QYJUITOYGUMVDZ-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP Cc1nc2ccccc2n1CC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579712313 448860467 /nfs/dbraw/zinc/86/04/67/448860467.db2.gz RLWXOUORFUMFLY-HNNXBMFYSA-N 2 0 342.443 1.559 20 0 EDADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528822 448896634 /nfs/dbraw/zinc/89/66/34/448896634.db2.gz OJWDQKTYVBLFET-JYJNAYRXSA-N 2 0 344.496 1.225 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520415535 448896771 /nfs/dbraw/zinc/89/67/71/448896771.db2.gz PKNRGWJKIXNHRM-SFHVURJKSA-N 2 0 348.491 1.659 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592567133 448904325 /nfs/dbraw/zinc/90/43/25/448904325.db2.gz VYICHKWRXQIIIM-RHSMWYFYSA-N 2 0 345.491 1.569 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000574622572 448918030 /nfs/dbraw/zinc/91/80/30/448918030.db2.gz KDTYYFRDHKZQSO-ICSRJNTNSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000547736309 448921887 /nfs/dbraw/zinc/92/18/87/448921887.db2.gz RCRCPAPVJBIFKB-INIZCTEOSA-N 2 0 339.524 1.945 20 0 EDADRP CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579967440 448924148 /nfs/dbraw/zinc/92/41/48/448924148.db2.gz JTXYFXLIDJMPDI-LJQANCHMSA-N 2 0 336.476 1.567 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C[N@@H+]1C1CC1 ZINC000568856248 448927042 /nfs/dbraw/zinc/92/70/42/448927042.db2.gz PDVAOSMKFUVGEE-KFWWJZLASA-N 2 0 336.480 1.009 20 0 EDADRP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000579838486 448892401 /nfs/dbraw/zinc/89/24/01/448892401.db2.gz YWIOHUGWKFGLRT-MYZZLAAOSA-N 2 0 329.444 1.144 20 0 EDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000521386594 448977645 /nfs/dbraw/zinc/97/76/45/448977645.db2.gz AXNMGSUUUCFDNZ-AWEZNQCLSA-N 2 0 339.505 1.977 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)[C@H](C)C1 ZINC000575000763 449010492 /nfs/dbraw/zinc/01/04/92/449010492.db2.gz MYBFGHNDMFFVDB-SJORKVTESA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000582120822 449016730 /nfs/dbraw/zinc/01/67/30/449016730.db2.gz UGJSSWSNSYPHAJ-OALUTQOASA-N 2 0 344.503 1.356 20 0 EDADRP COc1ccc2nc(CN3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)sc2c1 ZINC000582133285 449020797 /nfs/dbraw/zinc/02/07/97/449020797.db2.gz QPVDIXZHYJQSGT-JQWIXIFHSA-N 2 0 332.429 1.049 20 0 EDADRP C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C[NH+]1CCCCC1 ZINC000592956692 449078125 /nfs/dbraw/zinc/07/81/25/449078125.db2.gz INYSWZNSQQPOTB-HUUCEWRRSA-N 2 0 333.480 1.571 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592963871 449085990 /nfs/dbraw/zinc/08/59/90/449085990.db2.gz NCACUSXAXZNQCC-HNNXBMFYSA-N 2 0 327.469 1.252 20 0 EDADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000530220007 449084126 /nfs/dbraw/zinc/08/41/26/449084126.db2.gz AXAOJYLSXPCOOA-ROUUACIJSA-N 2 0 347.438 1.771 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)CN1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000522060287 449048208 /nfs/dbraw/zinc/04/82/08/449048208.db2.gz JZKFJDIOGQIZPD-CRAIPNDOSA-N 2 0 349.479 1.194 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC[NH2+]C1CC1 ZINC000582251290 449049404 /nfs/dbraw/zinc/04/94/04/449049404.db2.gz QDBZBZBSEYFCCB-UHFFFAOYSA-N 2 0 346.475 1.918 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592960214 449085363 /nfs/dbraw/zinc/08/53/63/449085363.db2.gz UMMAZSBGMKKXSA-HUUCEWRRSA-N 2 0 333.480 1.427 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575399057 449088151 /nfs/dbraw/zinc/08/81/51/449088151.db2.gz LSLGDMRPUFXUEN-UOVPBQLFSA-N 2 0 330.476 1.886 20 0 EDADRP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595893083 449237094 /nfs/dbraw/zinc/23/70/94/449237094.db2.gz OVUMDEMKDUVJRY-NVXWUHKLSA-N 2 0 332.444 1.819 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929630 449259548 /nfs/dbraw/zinc/25/95/48/449259548.db2.gz NSCGDTKINSZGSO-IEBWSBKVSA-N 2 0 342.487 1.459 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NCc1ccc(C[NH3+])cc1F ZINC000593917600 449284301 /nfs/dbraw/zinc/28/43/01/449284301.db2.gz WNVNJEXMZWGROH-UHFFFAOYSA-N 2 0 327.469 1.976 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1SC ZINC000590956645 449358886 /nfs/dbraw/zinc/35/88/86/449358886.db2.gz SZGUVPZESRUYGG-XBVQOTNRSA-N 2 0 327.538 1.654 20 0 EDADRP CS[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH+]1CCCC1 ZINC000602136792 449374877 /nfs/dbraw/zinc/37/48/77/449374877.db2.gz UKHKQMFFWKAOCW-HOTGVXAUSA-N 2 0 337.533 1.901 20 0 EDADRP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605425576 449381097 /nfs/dbraw/zinc/38/10/97/449381097.db2.gz CWJUONYRLXETEL-FXAWDEMLSA-N 2 0 343.471 1.224 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000594458425 449530342 /nfs/dbraw/zinc/53/03/42/449530342.db2.gz AIKHYTZQJAEIBO-CQSZACIVSA-N 2 0 333.480 1.666 20 0 EDADRP O=C(NCC12CCC[NH+]1CCC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614226945 449515651 /nfs/dbraw/zinc/51/56/51/449515651.db2.gz MNONGJKFSWVQCD-HXUWFJFHSA-N 2 0 343.471 1.368 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CCCC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000600974408 449626829 /nfs/dbraw/zinc/62/68/29/449626829.db2.gz IIEUUBIJYNXKSV-MRXNPFEDSA-N 2 0 349.475 1.736 20 0 EDADRP C[N@H+](CCCNC(=O)NC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000601243096 449769421 /nfs/dbraw/zinc/76/94/21/449769421.db2.gz JUPJTACQXGMYMG-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1F ZINC000597060054 449790642 /nfs/dbraw/zinc/79/06/42/449790642.db2.gz BYBMEXDADNZEAZ-UHFFFAOYSA-N 2 0 338.423 1.937 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000608654811 449898764 /nfs/dbraw/zinc/89/87/64/449898764.db2.gz VZJSMDPTQUIKBV-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP CCOC(=O)CCCNC(=O)CN1CCCN(c2cc[nH+]cc2)CC1 ZINC000602845895 449853307 /nfs/dbraw/zinc/85/33/07/449853307.db2.gz MXUFOYGSKZUOON-UHFFFAOYSA-N 2 0 348.447 1.053 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)ccc1F ZINC000612969353 449963214 /nfs/dbraw/zinc/96/32/14/449963214.db2.gz DOZGNAPZNBAPDY-INIZCTEOSA-N 2 0 334.439 1.829 20 0 EDADRP C[NH+](C)CC1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000615509398 450118625 /nfs/dbraw/zinc/11/86/25/450118625.db2.gz MILQCYVRZUHPCH-UHFFFAOYSA-N 2 0 330.476 1.219 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000595404192 450118723 /nfs/dbraw/zinc/11/87/23/450118723.db2.gz MKVNKZGXQZRTBM-QZTJIDSGSA-N 2 0 342.487 1.894 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000610250275 450163416 /nfs/dbraw/zinc/16/34/16/450163416.db2.gz LZUCABGOKSLNSC-MSOLQXFVSA-N 2 0 345.487 1.927 20 0 EDADRP CO[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000625287626 450275038 /nfs/dbraw/zinc/27/50/38/450275038.db2.gz LKJUONNKWSBHHZ-MRXNPFEDSA-N 2 0 325.428 1.465 20 0 EDADRP CC(C)(C)CNC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000625309469 450286493 /nfs/dbraw/zinc/28/64/93/450286493.db2.gz UXSPRXYWNLCLBI-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP CCc1oc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000619844861 450345117 /nfs/dbraw/zinc/34/51/17/450345117.db2.gz IFKHOGPUXNTMBH-AWEZNQCLSA-N 2 0 349.475 1.887 20 0 EDADRP CC(C)[C@H](C(=O)NCCCN1CCC[N@H+](C)CC1)[NH+]1CCCCC1 ZINC000603899759 450372900 /nfs/dbraw/zinc/37/29/00/450372900.db2.gz HTTASVTWSZITCG-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546591 450540536 /nfs/dbraw/zinc/54/05/36/450540536.db2.gz IOURXFWQRAKHJS-MRXNPFEDSA-N 2 0 325.497 1.330 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626023165 450555981 /nfs/dbraw/zinc/55/59/81/450555981.db2.gz ZFIBUVBILAVBSO-RBUKOAKNSA-N 2 0 345.487 1.559 20 0 EDADRP CN1CCOC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623710998 450570002 /nfs/dbraw/zinc/57/00/02/450570002.db2.gz RMMSBGZYVQPHJR-SFHVURJKSA-N 2 0 333.476 1.581 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000633077099 450663064 /nfs/dbraw/zinc/66/30/64/450663064.db2.gz QSSKYEYLPFLCNZ-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C[NH2+]1 ZINC000627300693 450631921 /nfs/dbraw/zinc/63/19/21/450631921.db2.gz JQTHOMIIIKNVKE-HUUCEWRRSA-N 2 0 338.496 1.014 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccccc3F)n2)C1 ZINC000629513887 450722664 /nfs/dbraw/zinc/72/26/64/450722664.db2.gz XKKXPXPJVKPIOO-CYBMUJFWSA-N 2 0 346.406 1.768 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524541 450724886 /nfs/dbraw/zinc/72/48/86/450724886.db2.gz RTODJVQQGJKVMZ-OWCLPIDISA-N 2 0 343.479 1.603 20 0 EDADRP O[C@@H](CNCc1ccccc1C[NH+]1CCC(O)CC1)C[NH+]1CCCC1 ZINC000629562703 450737576 /nfs/dbraw/zinc/73/75/76/450737576.db2.gz COHILJTZWNSFQZ-FQEVSTJZSA-N 2 0 347.503 1.190 20 0 EDADRP O=C1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)CN1Cc1ccccc1 ZINC000629573910 450744595 /nfs/dbraw/zinc/74/45/95/450744595.db2.gz GDTFNOKRFPXORL-ROUUACIJSA-N 2 0 331.460 1.081 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743789 450745158 /nfs/dbraw/zinc/74/51/58/450745158.db2.gz BYJJBFALFBLEGJ-BASLNEPJSA-N 2 0 341.521 1.452 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)N1CCc3sccc3C1)C2 ZINC000629585612 450750569 /nfs/dbraw/zinc/75/05/69/450750569.db2.gz YGZBVRYTBWVIDS-HDICACEKSA-N 2 0 333.501 1.954 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631787824 450776841 /nfs/dbraw/zinc/77/68/41/450776841.db2.gz HHHMOYVVTNMMHK-GJZGRUSLSA-N 2 0 333.542 1.614 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)ccc21 ZINC000621684492 450831724 /nfs/dbraw/zinc/83/17/24/450831724.db2.gz NFCVDCDQCAMMDZ-QFBILLFUSA-N 2 0 326.444 1.944 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827115 450799582 /nfs/dbraw/zinc/79/95/82/450799582.db2.gz FRZYXNKYZYDXHY-RYRKJORJSA-N 2 0 345.487 1.940 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890172 450850128 /nfs/dbraw/zinc/85/01/28/450850128.db2.gz NBSUPOZRKWJUEA-GBESFXJTSA-N 2 0 344.503 1.479 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888172 450850492 /nfs/dbraw/zinc/85/04/92/450850492.db2.gz WTEUOLCSHFSDGF-PBHICJAKSA-N 2 0 327.428 1.747 20 0 EDADRP C[N@H+](CCC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CCCCC1 ZINC000633481208 450872196 /nfs/dbraw/zinc/87/21/96/450872196.db2.gz BBXYMGIDRHOOOY-QGZVFWFLSA-N 2 0 325.497 1.604 20 0 EDADRP CCc1c[nH]c(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n1 ZINC000635465451 450964690 /nfs/dbraw/zinc/96/46/90/450964690.db2.gz PQWFTZARNOJUJY-MRXNPFEDSA-N 2 0 335.496 1.389 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000626919810 451003917 /nfs/dbraw/zinc/00/39/17/451003917.db2.gz OHDRBAXEUUONPP-UHFFFAOYSA-N 2 0 340.512 1.792 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000626919772 451004200 /nfs/dbraw/zinc/00/42/00/451004200.db2.gz NASUHOQKQHETOZ-INIZCTEOSA-N 2 0 338.496 1.463 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000626925101 451008343 /nfs/dbraw/zinc/00/83/43/451008343.db2.gz HHQRSDOFZSKSMU-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCOCC1 ZINC000626929005 451011791 /nfs/dbraw/zinc/01/17/91/451011791.db2.gz GCSCAQGDZDDEFF-PVAVHDDUSA-N 2 0 340.512 1.563 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000626934957 451017337 /nfs/dbraw/zinc/01/73/37/451017337.db2.gz SKGOCQNMJUGNQW-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP CC[C@H](CNC(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000626935120 451017388 /nfs/dbraw/zinc/01/73/88/451017388.db2.gz XTABFLBIZQMDKW-GOSISDBHSA-N 2 0 348.491 1.440 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934730 451017464 /nfs/dbraw/zinc/01/74/64/451017464.db2.gz MFBHTOLFQXEXAQ-DLBZAZTESA-N 2 0 332.448 1.111 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626948771 451027576 /nfs/dbraw/zinc/02/75/76/451027576.db2.gz ZHFNRUSYRGHJGG-OWCLPIDISA-N 2 0 328.501 1.230 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626954942 451032148 /nfs/dbraw/zinc/03/21/48/451032148.db2.gz NYZPOSLKCLOZDH-GOEBONIOSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[NH2+]1 ZINC000626968016 451040180 /nfs/dbraw/zinc/04/01/80/451040180.db2.gz AMJKPTKJTUFWMB-NVXWUHKLSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCOCCC[NH3+] ZINC000627012435 451077599 /nfs/dbraw/zinc/07/75/99/451077599.db2.gz AVAPYTYNWFXJLF-RDJZCZTQSA-N 2 0 334.464 1.172 20 0 EDADRP Cc1cn2c(n1)C[C@@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC2 ZINC000628050829 451105774 /nfs/dbraw/zinc/10/57/74/451105774.db2.gz NHXDXHDLPCUAMC-HOCLYGCPSA-N 3 0 335.496 1.142 20 0 EDADRP CN1CCN(C(=O)NCC2([NH3+])CCOCC2)[C@@H](Cc2ccccc2)C1 ZINC000627148498 451147547 /nfs/dbraw/zinc/14/75/47/451147547.db2.gz XGOMYMHQIRZZJX-KRWDZBQOSA-N 2 0 346.475 1.063 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185543 451172258 /nfs/dbraw/zinc/17/22/58/451172258.db2.gz CKVAZSKWSRFVSW-SFHVURJKSA-N 2 0 348.491 1.181 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000627166515 451160807 /nfs/dbraw/zinc/16/08/07/451160807.db2.gz XRQPFFMVNYTWRT-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000635711241 451189949 /nfs/dbraw/zinc/18/99/49/451189949.db2.gz PSQWSQBIEBUBKR-GOSISDBHSA-N 2 0 333.476 1.124 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000627216627 451192037 /nfs/dbraw/zinc/19/20/37/451192037.db2.gz XGEMZKPILQVTGH-UHFFFAOYSA-N 2 0 340.512 1.649 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000635716540 451195235 /nfs/dbraw/zinc/19/52/35/451195235.db2.gz TXPSWFOVVNSEIZ-KRWDZBQOSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000630466505 451205080 /nfs/dbraw/zinc/20/50/80/451205080.db2.gz CEYWYEFVCKBIDT-INIZCTEOSA-N 2 0 345.447 1.605 20 0 EDADRP CC[C@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[NH+](CC)CC ZINC000634195563 451233072 /nfs/dbraw/zinc/23/30/72/451233072.db2.gz DAHSSDFRGXEFBA-MRXNPFEDSA-N 2 0 333.480 1.892 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000634270119 451259700 /nfs/dbraw/zinc/25/97/00/451259700.db2.gz LWDABWMRURREDD-NJAFHUGGSA-N 2 0 348.466 1.960 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000638101676 451267733 /nfs/dbraw/zinc/26/77/33/451267733.db2.gz QQOMGGHPPJHOMI-LJQANCHMSA-N 2 0 342.487 1.310 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638103477 451270699 /nfs/dbraw/zinc/27/06/99/451270699.db2.gz OTBSNQPJGLJTHA-IMFGXOCKSA-N 2 0 345.487 1.911 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2oc(C[NH3+])cc2C)[C@H](C)C1 ZINC000638118274 451287236 /nfs/dbraw/zinc/28/72/36/451287236.db2.gz WJQLECZNKFEYJG-ZBFHGGJFSA-N 2 0 337.464 1.914 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638111665 451279372 /nfs/dbraw/zinc/27/93/72/451279372.db2.gz PEHOCTWIMKRAIP-LJQANCHMSA-N 2 0 346.519 1.684 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113236 451280969 /nfs/dbraw/zinc/28/09/69/451280969.db2.gz AFHPBEMCWRRXQR-CZUORRHYSA-N 2 0 325.478 1.496 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCCC[N@H+](C)C2CCCCC2)cn1 ZINC000630681699 451336560 /nfs/dbraw/zinc/33/65/60/451336560.db2.gz LTTUJNIOGPMJCY-UHFFFAOYSA-N 2 0 335.496 1.829 20 0 EDADRP O=C(CCC1C[NH2+]C1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638137899 451312271 /nfs/dbraw/zinc/31/22/71/451312271.db2.gz QJDQHBVUBRGSML-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP CCC[NH2+]CCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638148452 451322513 /nfs/dbraw/zinc/32/25/13/451322513.db2.gz ZNTOYMFVOQNFSC-UHFFFAOYSA-N 3 0 332.492 1.486 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000638195161 451349776 /nfs/dbraw/zinc/34/97/76/451349776.db2.gz RFBMDAOIHIEHFQ-LJQANCHMSA-N 2 0 338.455 1.365 20 0 EDADRP COC[C@@]1(CNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638227771 451368718 /nfs/dbraw/zinc/36/87/18/451368718.db2.gz ASJPJUAYRPPPRF-HKUYNNGSSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638267080 451388148 /nfs/dbraw/zinc/38/81/48/451388148.db2.gz FDRKLEGMLGAYDG-QZTJIDSGSA-N 2 0 344.503 1.614 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000638284989 451400978 /nfs/dbraw/zinc/40/09/78/451400978.db2.gz CSBASCVLAFVWET-WZGPROSRSA-N 2 0 345.487 1.862 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cnn(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC000630804626 451411321 /nfs/dbraw/zinc/41/13/21/451411321.db2.gz SWSILLHOOKFWJR-QAPCUYQASA-N 2 0 335.496 1.685 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H](C[NH3+])C(C)(C)C)ccc2[nH]c1=O ZINC000638334267 451440128 /nfs/dbraw/zinc/44/01/28/451440128.db2.gz AFTAFXJUXJCOSA-OAHLLOKOSA-N 2 0 347.463 1.407 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000638325105 451434800 /nfs/dbraw/zinc/43/48/00/451434800.db2.gz ZGMBFOCXJIYOAJ-GOSISDBHSA-N 2 0 331.460 1.556 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000638327854 451436208 /nfs/dbraw/zinc/43/62/08/451436208.db2.gz FPWKXMVYETZGFT-PKOBYXMFSA-N 2 0 327.472 1.865 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000630848674 451437240 /nfs/dbraw/zinc/43/72/40/451437240.db2.gz IHCGPZNAFYOLMJ-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1ccccc1F ZINC000638348142 451450213 /nfs/dbraw/zinc/45/02/13/451450213.db2.gz CBLJEFVCFCQNNL-DOTOQJQBSA-N 2 0 331.435 1.955 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000638347492 451450389 /nfs/dbraw/zinc/45/03/89/451450389.db2.gz STGZRVDQJGRTPY-SJORKVTESA-N 2 0 335.492 1.607 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000638357638 451458416 /nfs/dbraw/zinc/45/84/16/451458416.db2.gz SULCODHIIWMNRR-DMHIMHRUSA-N 2 0 333.476 1.751 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367946 451467307 /nfs/dbraw/zinc/46/73/07/451467307.db2.gz RKNWMTOZRJKRIW-XFKSJGNHSA-N 2 0 343.471 1.486 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634709777 451487602 /nfs/dbraw/zinc/48/76/02/451487602.db2.gz OAMILUNWFOJLNE-IRXDYDNUSA-N 2 0 328.497 1.237 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000638401120 451489339 /nfs/dbraw/zinc/48/93/39/451489339.db2.gz PADJLXIAFJIJQO-AEFFLSMTSA-N 2 0 331.460 1.933 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCNC(=O)c2ccccc2F)CC1 ZINC000638402926 451490723 /nfs/dbraw/zinc/49/07/23/451490723.db2.gz FVFYEVZWEXJTRB-UHFFFAOYSA-N 2 0 337.439 1.380 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)c1 ZINC000638344898 451448470 /nfs/dbraw/zinc/44/84/70/451448470.db2.gz VZFXLTRASXWTIU-RCCFBDPRSA-N 2 0 343.402 1.787 20 0 EDADRP O=C(CCC1(O)CCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000630867747 451448791 /nfs/dbraw/zinc/44/87/91/451448791.db2.gz UPBVRHOJWIFGMZ-UHFFFAOYSA-N 2 0 346.475 1.405 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000638413512 451499159 /nfs/dbraw/zinc/49/91/59/451499159.db2.gz ZAVFIHKCYDMLRP-ROUUACIJSA-N 2 0 345.487 1.989 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636097132 451513621 /nfs/dbraw/zinc/51/36/21/451513621.db2.gz DZNFGZLLFHRISL-CALCHBBNSA-N 2 0 335.492 1.765 20 0 EDADRP CO[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000638459493 451526440 /nfs/dbraw/zinc/52/64/40/451526440.db2.gz KEWSJUSYKXGOMW-IBGZPJMESA-N 2 0 339.524 1.576 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000638528547 451559726 /nfs/dbraw/zinc/55/97/26/451559726.db2.gz DQDOERHBLFBUPH-GBESFXJTSA-N 2 0 339.439 1.437 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000638539582 451567792 /nfs/dbraw/zinc/56/77/92/451567792.db2.gz CJNPYRWSXFODOS-UHFFFAOYSA-N 2 0 349.475 1.645 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccn(C(F)F)c3=O)C2)CC1 ZINC000638588731 451592621 /nfs/dbraw/zinc/59/26/21/451592621.db2.gz MJQLXTBUOUHDFV-AWEZNQCLSA-N 2 0 340.418 1.502 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC000638718604 451664719 /nfs/dbraw/zinc/66/47/19/451664719.db2.gz JDLRFJZJAXLQLE-ICSRJNTNSA-N 2 0 348.487 1.784 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000638720130 451664764 /nfs/dbraw/zinc/66/47/64/451664764.db2.gz RJVCEDZZLFZDFG-UHFFFAOYSA-N 2 0 347.503 1.895 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)C1(n2cccn2)CC[NH2+]CC1 ZINC000638667977 451640622 /nfs/dbraw/zinc/64/06/22/451640622.db2.gz HLAGDJRYQSYLIE-UHFFFAOYSA-N 2 0 341.415 1.083 20 0 EDADRP CC[NH+]1CCC(NC(=O)Cn2cc(C[NH2+]C3CCCCC3)nn2)CC1 ZINC000640870262 451658638 /nfs/dbraw/zinc/65/86/38/451658638.db2.gz WMCZKCNEOKGHAB-UHFFFAOYSA-N 2 0 348.495 1.301 20 0 EDADRP [NH3+][C@H](CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000638879293 451717752 /nfs/dbraw/zinc/71/77/52/451717752.db2.gz GIAMHPSRRZWNHM-UKRRQHHQSA-N 2 0 329.366 1.605 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784625 451690923 /nfs/dbraw/zinc/69/09/23/451690923.db2.gz VSLKBWTWCQSUHG-JKSUJKDBSA-N 2 0 325.497 1.628 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1(C)C ZINC000638977325 451744243 /nfs/dbraw/zinc/74/42/43/451744243.db2.gz KUDPUBPGLUGYDB-QAPCUYQASA-N 2 0 349.479 1.621 20 0 EDADRP O=C(CCOC[C@@H]1CCCO1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987147 451747356 /nfs/dbraw/zinc/74/73/56/451747356.db2.gz AGKNBXYLWJKVTG-HNNXBMFYSA-N 2 0 334.420 1.015 20 0 EDADRP C[C@H]1C[N@H+](CCCNC2CC[NH+](CC(C)(C)O)CC2)CCCO1 ZINC000639122209 451771920 /nfs/dbraw/zinc/77/19/20/451771920.db2.gz RRTODUAZIDJHOO-INIZCTEOSA-N 2 0 327.513 1.312 20 0 EDADRP O[C@]1(Cn2cc([C@@H]3CCC[NH2+]C3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230360 451791390 /nfs/dbraw/zinc/79/13/90/451791390.db2.gz PWYOUXKELWMHHP-IEBWSBKVSA-N 2 0 341.459 1.382 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000642021599 451806084 /nfs/dbraw/zinc/80/60/84/451806084.db2.gz HPBGJCZULGNPJD-ROUUACIJSA-N 2 0 346.475 1.138 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000644524122 451840137 /nfs/dbraw/zinc/84/01/37/451840137.db2.gz USWGDVVOTSUHQD-KZNAEPCWSA-N 2 0 334.460 1.789 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000644562113 451862716 /nfs/dbraw/zinc/86/27/16/451862716.db2.gz WIXAYSWDBOWERZ-ICSRJNTNSA-N 2 0 331.504 1.738 20 0 EDADRP CCc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562330 451862918 /nfs/dbraw/zinc/86/29/18/451862918.db2.gz JYNHXEYEVVAVBY-SFHVURJKSA-N 2 0 349.519 1.604 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000644575226 451870312 /nfs/dbraw/zinc/87/03/12/451870312.db2.gz XTSXYBJIOICZIJ-XOKHGSTOSA-N 2 0 335.448 1.457 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000642531665 451887784 /nfs/dbraw/zinc/88/77/84/451887784.db2.gz ZEZOCWOGYMVEIZ-CVEARBPZSA-N 2 0 340.512 1.117 20 0 EDADRP O=C([C@@H]1CCc2cncn2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000649209206 451905203 /nfs/dbraw/zinc/90/52/03/451905203.db2.gz GVZFAFJJJWSECD-WBVHZDCISA-N 2 0 332.448 1.159 20 0 EDADRP C[C@@H](NC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000653412527 451925067 /nfs/dbraw/zinc/92/50/67/451925067.db2.gz WZXYMDCQQSUBOM-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653419061 451931124 /nfs/dbraw/zinc/93/11/24/451931124.db2.gz QUICEINLAYHELM-UHFFFAOYSA-N 2 0 343.435 1.194 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649279019 451950573 /nfs/dbraw/zinc/95/05/73/451950573.db2.gz QONITYGCRDPLPT-WMLDXEAASA-N 2 0 337.489 1.770 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733443 451942367 /nfs/dbraw/zinc/94/23/67/451942367.db2.gz ODBUVPKQDSSLCI-WBVHZDCISA-N 2 0 346.475 1.135 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000649284973 451957907 /nfs/dbraw/zinc/95/79/07/451957907.db2.gz PWDXRRKJTQWOFW-OAHLLOKOSA-N 2 0 335.448 1.582 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000649287949 451963402 /nfs/dbraw/zinc/96/34/02/451963402.db2.gz SDAKKMIIDOJZNY-CQSZACIVSA-N 2 0 327.375 1.810 20 0 EDADRP COCCC1(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000649307221 451983101 /nfs/dbraw/zinc/98/31/01/451983101.db2.gz ASTIZHKYSRRMOY-IXDOHACOSA-N 2 0 339.524 1.875 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)COC1(C)C[NH2+]C1 ZINC000649312839 451991431 /nfs/dbraw/zinc/99/14/31/451991431.db2.gz BEVAVWWUGXLQJJ-UHFFFAOYSA-N 2 0 349.500 1.861 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649331735 452013100 /nfs/dbraw/zinc/01/31/00/452013100.db2.gz SCKNLPSPDXCUMD-LSDHHAIUSA-N 2 0 348.495 1.443 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649343660 452024143 /nfs/dbraw/zinc/02/41/43/452024143.db2.gz NBRFDEVOXJTJGG-MRXNPFEDSA-N 2 0 338.883 1.482 20 0 EDADRP COc1cc(OC)c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1F ZINC000651705626 452024783 /nfs/dbraw/zinc/02/47/83/452024783.db2.gz ZZJHSBHBCPUYCJ-AWEZNQCLSA-N 2 0 339.455 1.816 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C1CC1 ZINC000643083084 452036306 /nfs/dbraw/zinc/03/63/06/452036306.db2.gz RJFZIIMJHZZPQS-LSBZLQRGSA-N 2 0 349.519 1.994 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[C@@H]1[NH3+] ZINC000649358799 452040390 /nfs/dbraw/zinc/04/03/90/452040390.db2.gz DNGAFGMFDQZILF-HOCLYGCPSA-N 2 0 331.464 1.033 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094189 452057271 /nfs/dbraw/zinc/05/72/71/452057271.db2.gz XQMLHRSDVGEELG-QGZVFWFLSA-N 2 0 345.491 1.581 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NCc3cc(F)cc(F)c3)C2)CC1 ZINC000639757549 452096843 /nfs/dbraw/zinc/09/68/43/452096843.db2.gz HUXAAFOKRUCPDJ-UHFFFAOYSA-N 2 0 337.414 1.999 20 0 EDADRP Cc1cccc(OCCNC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759611 452097992 /nfs/dbraw/zinc/09/79/92/452097992.db2.gz DPVJRWHMBMHWNJ-UHFFFAOYSA-N 2 0 345.487 1.908 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000639758641 452098362 /nfs/dbraw/zinc/09/83/62/452098362.db2.gz WUMHEFSVFADEHL-IRXDYDNUSA-N 2 0 335.492 1.574 20 0 EDADRP [NH3+]C1CCC(NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000637820383 452101239 /nfs/dbraw/zinc/10/12/39/452101239.db2.gz XTZUTXAYBVJSNI-UHFFFAOYSA-N 2 0 344.503 1.756 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637828900 452105785 /nfs/dbraw/zinc/10/57/85/452105785.db2.gz IMLNMFIDTFXPIB-UHFFFAOYSA-N 2 0 346.519 1.874 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000637867177 452123423 /nfs/dbraw/zinc/12/34/23/452123423.db2.gz SFQAZTIIZJFCID-ZWKOPEQDSA-N 2 0 331.338 1.280 20 0 EDADRP Cc1nc(N2CCOCC2)ccc1NC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000639841489 452173668 /nfs/dbraw/zinc/17/36/68/452173668.db2.gz VYPFLPJLDYQOSO-UHFFFAOYSA-N 2 0 347.463 1.785 20 0 EDADRP Nc1nc(NCC2CCN(c3cc[nH+]cc3)CC2)c2c([nH+]1)CCCC2 ZINC000645205580 452210515 /nfs/dbraw/zinc/21/05/15/452210515.db2.gz IECYVSQUIZFHIU-UHFFFAOYSA-N 2 0 338.459 2.083 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[NH2+]C34CCCC4)n2)CC1 ZINC000647475915 452224439 /nfs/dbraw/zinc/22/44/39/452224439.db2.gz GQTIPDUGCVJGBQ-HNNXBMFYSA-N 2 0 346.479 1.946 20 0 EDADRP NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000643452183 452229804 /nfs/dbraw/zinc/22/98/04/452229804.db2.gz LDLJEHKZILAOCI-BURFUSLBSA-N 2 0 342.487 1.875 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC[C@H]1CCOC1 ZINC000643464428 452234677 /nfs/dbraw/zinc/23/46/77/452234677.db2.gz WJHOSEYJXAFDHW-VDZJLULYSA-N 2 0 332.444 1.885 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462710 452235220 /nfs/dbraw/zinc/23/52/20/452235220.db2.gz HOQXNVVIZPJIIB-SQNIBIBYSA-N 2 0 330.476 1.353 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000663560242 452274909 /nfs/dbraw/zinc/27/49/09/452274909.db2.gz JZRIJFAAGIXYLY-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC[C@H]1c1ccc(F)cc1 ZINC000655480461 452277559 /nfs/dbraw/zinc/27/75/59/452277559.db2.gz VBVJAFOEZGBKHA-FAJBIJEISA-N 2 0 331.435 1.859 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccnn2CC2CC2)(N2CCOCC2)CC1 ZINC000657490893 452277845 /nfs/dbraw/zinc/27/78/45/452277845.db2.gz RCAOALLXICUBCU-UHFFFAOYSA-N 2 0 347.507 1.179 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659436826 452283231 /nfs/dbraw/zinc/28/32/31/452283231.db2.gz ZOHQSRCKBPBVJO-QGZVFWFLSA-N 2 0 347.507 1.101 20 0 EDADRP C[C@@H]([NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)(C)n1cncn1 ZINC000638035312 452291099 /nfs/dbraw/zinc/29/10/99/452291099.db2.gz RPWMNYCLARLTRR-SJORKVTESA-N 2 0 334.512 1.504 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[NH+]2CCCC2)o1 ZINC000659447307 452296339 /nfs/dbraw/zinc/29/63/39/452296339.db2.gz GUTOFYBLEHKCRO-CSLYMUCUSA-N 2 0 332.448 1.858 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659453656 452302051 /nfs/dbraw/zinc/30/20/51/452302051.db2.gz YAJCUWFKQMDVBF-UHFFFAOYSA-N 2 0 326.485 1.447 20 0 EDADRP COCCN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C(C)(C)C1 ZINC000649850880 452313193 /nfs/dbraw/zinc/31/31/93/452313193.db2.gz DOGOSYDQQUVJNM-UHFFFAOYSA-N 2 0 340.556 1.445 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000659465415 452320856 /nfs/dbraw/zinc/32/08/56/452320856.db2.gz KUKVHQODJIYPPH-AWEZNQCLSA-N 2 0 334.464 1.050 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000665758903 452327201 /nfs/dbraw/zinc/32/72/01/452327201.db2.gz SLSMDORFRWNNNB-ULQDDVLXSA-N 2 0 341.544 1.383 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000659472554 452329816 /nfs/dbraw/zinc/32/98/16/452329816.db2.gz NZRDPUZKMPRXAO-XVTSOASTSA-N 2 0 343.475 1.740 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659472545 452330961 /nfs/dbraw/zinc/33/09/61/452330961.db2.gz NQZBWNJTRJREDQ-KBRIMQKVSA-N 2 0 349.454 1.688 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000638053621 452333320 /nfs/dbraw/zinc/33/33/20/452333320.db2.gz KPDLCTUPPTVWQS-UHFFFAOYSA-N 2 0 339.443 1.851 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000659476685 452336461 /nfs/dbraw/zinc/33/64/61/452336461.db2.gz DQHXQSLDGDUKFV-UHFFFAOYSA-N 2 0 331.464 1.869 20 0 EDADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657594481 452360284 /nfs/dbraw/zinc/36/02/84/452360284.db2.gz ATNICQMLRIJPMX-KRWDZBQOSA-N 2 0 329.448 1.463 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657596948 452365014 /nfs/dbraw/zinc/36/50/14/452365014.db2.gz PQTMSJUBYHBKPI-SFHVURJKSA-N 2 0 327.428 1.947 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C1 ZINC000638065225 452366728 /nfs/dbraw/zinc/36/67/28/452366728.db2.gz SKXGQWMNVASTFH-VVWQDTPRSA-N 2 0 345.487 1.897 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659513150 452378806 /nfs/dbraw/zinc/37/88/06/452378806.db2.gz GMCPCHWANTXIGJ-OAHLLOKOSA-N 2 0 338.496 1.176 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659516395 452379666 /nfs/dbraw/zinc/37/96/66/452379666.db2.gz QNSNTSIITPRPQS-QGZVFWFLSA-N 2 0 331.464 1.345 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000638077529 452389038 /nfs/dbraw/zinc/38/90/38/452389038.db2.gz TZPBHWXRLBMYBN-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000659543880 452403852 /nfs/dbraw/zinc/40/38/52/452403852.db2.gz RXNXJRPQLAEIGL-VJUNAUMWSA-N 2 0 334.439 1.711 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C(F)F ZINC000659548384 452405598 /nfs/dbraw/zinc/40/55/98/452405598.db2.gz HUWDSDMPYHDNCY-MGPQQGTHSA-N 2 0 344.381 1.553 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659566609 452420617 /nfs/dbraw/zinc/42/06/17/452420617.db2.gz NDRPBPSHHDEBMU-QGZVFWFLSA-N 2 0 331.464 1.426 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000659579937 452435791 /nfs/dbraw/zinc/43/57/91/452435791.db2.gz MRFGZTMIVLLXLY-GUDVDZBRSA-N 2 0 340.471 1.788 20 0 EDADRP CC(=O)N1CC[NH+]([C@@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@@H]2C)CC1 ZINC000663702876 452441556 /nfs/dbraw/zinc/44/15/56/452441556.db2.gz MXWJDSWNZALEPS-SUMWQHHRSA-N 2 0 327.432 1.552 20 0 EDADRP C[NH+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000661639738 452457634 /nfs/dbraw/zinc/45/76/34/452457634.db2.gz OJTFBQPJLUJLFB-PMACEKPBSA-N 2 0 331.504 1.690 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000661665147 452476410 /nfs/dbraw/zinc/47/64/10/452476410.db2.gz HRQZTCOLKJDKGV-UHFFFAOYSA-N 2 0 345.491 1.497 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2COC[C@]2(C)C1)c1ccccc1 ZINC000661698842 452502613 /nfs/dbraw/zinc/50/26/13/452502613.db2.gz BELMZKGHXMPXSA-LMMKCTJWSA-N 2 0 331.460 1.374 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000655680475 452506257 /nfs/dbraw/zinc/50/62/57/452506257.db2.gz MHYPEQNWWQGONN-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccn(C)c(=O)c1 ZINC000640207991 452515621 /nfs/dbraw/zinc/51/56/21/452515621.db2.gz OOMMJMXLZQXVSJ-MRXNPFEDSA-N 2 0 349.479 1.265 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(c2cnc(N3CC[C@@H](C[NH+](C)C)C3)cn2)C1 ZINC000663789254 452519760 /nfs/dbraw/zinc/51/97/60/452519760.db2.gz YESPSKKTJBDVIS-HOTGVXAUSA-N 2 0 332.496 1.252 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345474 452520504 /nfs/dbraw/zinc/52/05/04/452520504.db2.gz CKMALHVSCJAZFT-GBESFXJTSA-N 2 0 345.487 1.863 20 0 EDADRP c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647786525 452522067 /nfs/dbraw/zinc/52/20/67/452522067.db2.gz RASUIOOLMXELKJ-XUVXKRRUSA-N 2 0 329.488 1.997 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347494 452522368 /nfs/dbraw/zinc/52/23/68/452522368.db2.gz CFEOSCFVMREFLM-JZXOWHBKSA-N 2 0 337.508 1.852 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348453 452523150 /nfs/dbraw/zinc/52/31/50/452523150.db2.gz FFPYDSXPOBGLFZ-FMKPAKJESA-N 2 0 343.431 1.850 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)C1 ZINC000652347547 452523670 /nfs/dbraw/zinc/52/36/70/452523670.db2.gz DJQMWQHJACFLQK-BBWFWOEESA-N 2 0 335.492 1.510 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652350341 452526111 /nfs/dbraw/zinc/52/61/11/452526111.db2.gz SXEQXQOIMNSCMS-JRBPQWBISA-N 3 0 347.503 1.956 20 0 EDADRP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349033 452527120 /nfs/dbraw/zinc/52/71/20/452527120.db2.gz ZISVIYNSKPCQPQ-OKZBNKHCSA-N 2 0 331.460 1.765 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655712489 452528649 /nfs/dbraw/zinc/52/86/49/452528649.db2.gz RXRGATDMRKGKOL-ZWKOTPCHSA-N 2 0 325.497 1.066 20 0 EDADRP O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)Oc2ccccc21 ZINC000647801187 452531135 /nfs/dbraw/zinc/53/11/35/452531135.db2.gz QJOWSTXYXHNCCV-XQLPTFJDSA-N 2 0 336.457 1.199 20 0 EDADRP CNC(=O)[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647804108 452536525 /nfs/dbraw/zinc/53/65/25/452536525.db2.gz JBXMNKDVOIGYMK-DGCLKSJQSA-N 2 0 343.393 1.808 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)C1 ZINC000652360871 452541177 /nfs/dbraw/zinc/54/11/77/452541177.db2.gz SMYFWMSUNNCHKN-DJIMGWMZSA-N 2 0 342.443 1.555 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361432 452542560 /nfs/dbraw/zinc/54/25/60/452542560.db2.gz HFYPLULDSKFMOH-OTWHNJEPSA-N 2 0 345.487 1.972 20 0 EDADRP C[N@@H+](CCC(=O)N[C@H]1CCCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835435 452573436 /nfs/dbraw/zinc/57/34/36/452573436.db2.gz YLWCXXWVYGROTD-IBGZPJMESA-N 2 0 344.503 1.407 20 0 EDADRP COCCC[NH+]1CCC([NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657867358 452578454 /nfs/dbraw/zinc/57/84/54/452578454.db2.gz RNDIOIVAAWLFLZ-GOSISDBHSA-N 2 0 328.497 1.909 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000655805373 452588510 /nfs/dbraw/zinc/58/85/10/452588510.db2.gz GVEJPVBYZQECKA-OFQRWUPVSA-N 2 0 339.505 1.928 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803800 452588550 /nfs/dbraw/zinc/58/85/50/452588550.db2.gz DPHWYQPVDWNXGA-BZPMIXESSA-N 2 0 342.281 1.929 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])C(C)C ZINC000659704254 452592730 /nfs/dbraw/zinc/59/27/30/452592730.db2.gz IXCOAZRMZFPRCB-CVEARBPZSA-N 2 0 340.512 1.197 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901954 452643589 /nfs/dbraw/zinc/64/35/89/452643589.db2.gz XUZJVSNWKUZUAK-NVXWUHKLSA-N 2 0 344.459 1.578 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000654561137 452643959 /nfs/dbraw/zinc/64/39/59/452643959.db2.gz CHNADIYYVHTXKH-BZZMCLGOSA-N 2 0 346.475 1.138 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000657969231 452648953 /nfs/dbraw/zinc/64/89/53/452648953.db2.gz KPFMCOCFLHVJDN-CRAIPNDOSA-N 2 0 329.448 1.413 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)c1 ZINC000655908605 452664786 /nfs/dbraw/zinc/66/47/86/452664786.db2.gz XHPJWLZQOOYUMC-KRWDZBQOSA-N 2 0 332.448 1.864 20 0 EDADRP CC(C)[C@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH2+]1 ZINC000647929096 452668009 /nfs/dbraw/zinc/66/80/09/452668009.db2.gz JRMNJLDBVZUNLG-MSOLQXFVSA-N 2 0 332.492 1.335 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655913231 452672602 /nfs/dbraw/zinc/67/26/02/452672602.db2.gz SRFKKKHMJLBECH-CQSZACIVSA-N 2 0 344.381 1.794 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000652486211 452681038 /nfs/dbraw/zinc/68/10/38/452681038.db2.gz TWWPHIGLEGZCNT-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000655927176 452695065 /nfs/dbraw/zinc/69/50/65/452695065.db2.gz GNJLMNWUDWBNFX-XQQFMLRXSA-N 2 0 330.354 1.621 20 0 EDADRP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nn1 ZINC000655941151 452712651 /nfs/dbraw/zinc/71/26/51/452712651.db2.gz NEJUHMKTYZJTFE-TXEJJXNPSA-N 2 0 330.354 1.849 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976158 452721320 /nfs/dbraw/zinc/72/13/20/452721320.db2.gz KZXMXZOFZBZTPD-UONOGXRCSA-N 2 0 347.488 1.671 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000647977433 452723592 /nfs/dbraw/zinc/72/35/92/452723592.db2.gz BFMHMLGXDUDEHV-YDZRNGNQSA-N 2 0 349.519 1.868 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000659878536 452755312 /nfs/dbraw/zinc/75/53/12/452755312.db2.gz LUWRNBCNICBSMR-HDICACEKSA-N 2 0 338.540 1.450 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664077240 452770408 /nfs/dbraw/zinc/77/04/08/452770408.db2.gz OXOHYKJIZMAYPT-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726530 452840849 /nfs/dbraw/zinc/84/08/49/452840849.db2.gz ULTXGCQYAOGOKL-QZTJIDSGSA-N 2 0 343.475 1.930 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)[N@H+]1CCO ZINC000654738787 452870944 /nfs/dbraw/zinc/87/09/44/452870944.db2.gz RCPSVVCWCCTUFZ-VVLHAWIVSA-N 2 0 338.496 1.100 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000648167618 452879135 /nfs/dbraw/zinc/87/91/35/452879135.db2.gz DMJIXTVNLRLOLF-UHZRXMQZSA-N 2 0 339.483 1.965 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000648180502 452891545 /nfs/dbraw/zinc/89/15/45/452891545.db2.gz FNMWAGRRMAGSDI-RRFJBIMHSA-N 2 0 333.823 1.027 20 0 EDADRP CC(=O)Nc1ccccc1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664221355 452898764 /nfs/dbraw/zinc/89/87/64/452898764.db2.gz WREQYVAPJJQJNK-UHFFFAOYSA-N 2 0 349.479 1.328 20 0 EDADRP COc1cccc2c1OCC[C@@H]2[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656194185 452953241 /nfs/dbraw/zinc/95/32/41/452953241.db2.gz BZGPCCUBLPDZHR-HIFRSBDPSA-N 2 0 333.432 1.306 20 0 EDADRP CC(C)[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000656198818 452955929 /nfs/dbraw/zinc/95/59/29/452955929.db2.gz ZNPAEUYINJWGAE-KEYYUXOJSA-N 2 0 348.495 1.067 20 0 EDADRP C[C@@H](CNc1cc(N2CCOCC2)ncn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656211708 452963822 /nfs/dbraw/zinc/96/38/22/452963822.db2.gz XZYYKSLPAFRTNE-SOUVJXGZSA-N 2 0 335.452 1.223 20 0 EDADRP COc1ccc(OC)c(C[N@H+](CCO)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662253673 452980392 /nfs/dbraw/zinc/98/03/92/452980392.db2.gz BJSUAKWQSSUPKQ-INIZCTEOSA-N 2 0 336.432 1.019 20 0 EDADRP O=C(Nc1cccc(F)c1)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662257979 452985465 /nfs/dbraw/zinc/98/54/65/452985465.db2.gz RSVQUOFBXRMGKH-KRWDZBQOSA-N 2 0 347.434 1.997 20 0 EDADRP O=C([C@@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2)N1CCOCC1 ZINC000662258172 452988887 /nfs/dbraw/zinc/98/88/87/452988887.db2.gz SIJFARZQESMSJK-IBGZPJMESA-N 2 0 343.471 1.546 20 0 EDADRP CCN(C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000664318889 452994252 /nfs/dbraw/zinc/99/42/52/452994252.db2.gz QKYJAZXZTTYXPS-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC(CC[NH2+]C)CC2)cc1 ZINC000662266008 452996607 /nfs/dbraw/zinc/99/66/07/452996607.db2.gz VMNONIIFHZSGLJ-UHFFFAOYSA-N 2 0 325.478 1.416 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654890274 453009982 /nfs/dbraw/zinc/00/99/82/453009982.db2.gz PDBIHXUGQKJQHE-FZNQNYSPSA-N 2 0 346.475 1.186 20 0 EDADRP COc1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000666614137 453012102 /nfs/dbraw/zinc/01/21/02/453012102.db2.gz RHYJTTMSYKNRSL-HNNXBMFYSA-N 2 0 335.448 1.333 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000662291118 453013678 /nfs/dbraw/zinc/01/36/78/453013678.db2.gz BITMBLRSJIDQFV-GUDVDZBRSA-N 2 0 349.519 1.868 20 0 EDADRP O=C1[C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662298949 453020182 /nfs/dbraw/zinc/02/01/82/453020182.db2.gz UCKQQBCLXZPJQZ-NXHRZFHOSA-N 2 0 341.455 1.493 20 0 EDADRP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)N1CC[NH2+]CC1 ZINC000662341646 453058926 /nfs/dbraw/zinc/05/89/26/453058926.db2.gz RPWBYEOJKQKTBN-IBGZPJMESA-N 2 0 339.439 1.567 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)CC1 ZINC000666714999 453091008 /nfs/dbraw/zinc/09/10/08/453091008.db2.gz DECGGYWBPBGDKV-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160229 453091688 /nfs/dbraw/zinc/09/16/88/453091688.db2.gz VBAFQTLWNLCWTP-BMFZPTHFSA-N 2 0 337.414 1.868 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387708 453096591 /nfs/dbraw/zinc/09/65/91/453096591.db2.gz HPVBLQWZRSZZQL-GJZGRUSLSA-N 2 0 333.480 1.729 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000662397573 453108035 /nfs/dbraw/zinc/10/80/35/453108035.db2.gz HDHOGXPBXKSIHX-KRWDZBQOSA-N 2 0 325.497 1.853 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000646105888 453110297 /nfs/dbraw/zinc/11/02/97/453110297.db2.gz KPZGHLBLFJJEGT-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000662455074 453163221 /nfs/dbraw/zinc/16/32/21/453163221.db2.gz IQWBNVXXGZEYLB-SFHVURJKSA-N 2 0 349.475 1.530 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1CCCN(Cc2ncon2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646159912 453171272 /nfs/dbraw/zinc/17/12/72/453171272.db2.gz NBNMIFHJVDXGPM-FZKCQIBNSA-N 2 0 349.479 1.659 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000662475761 453189622 /nfs/dbraw/zinc/18/96/22/453189622.db2.gz OSAKSRQJZQWVID-IAGOWNOFSA-N 2 0 346.475 1.789 20 0 EDADRP CN(CCC[NH3+])Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468346 453205319 /nfs/dbraw/zinc/20/53/19/453205319.db2.gz LMFUKUGVJUTDQG-GOSISDBHSA-N 2 0 342.491 1.581 20 0 EDADRP CN(Cc1c[nH]cn1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000664576336 453211586 /nfs/dbraw/zinc/21/15/86/453211586.db2.gz GUZUXJIXDVZHGA-UHFFFAOYSA-N 2 0 328.420 1.863 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000648753971 453234793 /nfs/dbraw/zinc/23/47/93/453234793.db2.gz PXGHIVXHLXOORV-CZUORRHYSA-N 2 0 332.448 1.856 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccccc1 ZINC000646224649 453237663 /nfs/dbraw/zinc/23/76/63/453237663.db2.gz ZZRHRLRHGHZFGL-ROUUACIJSA-N 2 0 333.476 1.642 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000646243938 453252590 /nfs/dbraw/zinc/25/25/90/453252590.db2.gz IUIPVHYVAPGIAV-MRXNPFEDSA-N 2 0 333.480 1.924 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2ncncc2C1 ZINC000648781457 453263446 /nfs/dbraw/zinc/26/34/46/453263446.db2.gz IOYHAEMQNXCTHD-INIZCTEOSA-N 2 0 347.507 1.314 20 0 EDADRP [NH3+]C/C=C/CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000666990257 453314985 /nfs/dbraw/zinc/31/49/85/453314985.db2.gz IEDIPENDNBOAHP-OWOJBTEDSA-N 2 0 334.489 1.914 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000662589673 453317679 /nfs/dbraw/zinc/31/76/79/453317679.db2.gz CHDCXLPHIKKGBM-GOEBONIOSA-N 2 0 333.480 1.658 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)NC[C@@H](C)[NH3+])ccc1OC ZINC000667002826 453323372 /nfs/dbraw/zinc/32/33/72/453323372.db2.gz ATXLXSOUZIGUPQ-CYBMUJFWSA-N 2 0 338.452 1.885 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613699 453331758 /nfs/dbraw/zinc/33/17/58/453331758.db2.gz HYQAGJFSUPOBHK-LJQANCHMSA-N 2 0 345.487 1.564 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662614313 453333804 /nfs/dbraw/zinc/33/38/04/453333804.db2.gz PNTFMNDMMHUNOD-GOSISDBHSA-N 2 0 331.460 1.694 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)CC[N@@H+]1C ZINC000648857573 453335354 /nfs/dbraw/zinc/33/53/54/453335354.db2.gz FZLBTYGMDWMYMC-AYOQOUSVSA-N 2 0 345.487 1.600 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000651193316 453343285 /nfs/dbraw/zinc/34/32/85/453343285.db2.gz SCTNLZNWTNCGIH-KRWDZBQOSA-N 2 0 340.512 1.328 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)c1 ZINC000667048421 453364885 /nfs/dbraw/zinc/36/48/85/453364885.db2.gz QFFAYNSIQRAPOX-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000662651391 453365476 /nfs/dbraw/zinc/36/54/76/453365476.db2.gz ZTUCNWYJJBHSNG-UHFFFAOYSA-N 2 0 330.476 1.830 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CO2 ZINC000651228299 453378156 /nfs/dbraw/zinc/37/81/56/453378156.db2.gz OFTMFYLRQPKVFR-SJORKVTESA-N 2 0 345.487 1.757 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662669320 453381879 /nfs/dbraw/zinc/38/18/79/453381879.db2.gz WYFCKZVGNPBPRI-ZIAGYGMSSA-N 2 0 331.464 1.623 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000667094533 453402081 /nfs/dbraw/zinc/40/20/81/453402081.db2.gz YJFQCZDUDMPVCG-MRXNPFEDSA-N 2 0 346.475 1.724 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CC3([NH3+])CC3)c2)CC1 ZINC000662683597 453403955 /nfs/dbraw/zinc/40/39/55/453403955.db2.gz QHAHNNYQIJGMSA-UHFFFAOYSA-N 2 0 330.432 1.204 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@H](C)O1 ZINC000662687625 453408936 /nfs/dbraw/zinc/40/89/36/453408936.db2.gz HPLJMKRJXWCEDO-ZNMIVQPWSA-N 2 0 349.479 1.106 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662694313 453414737 /nfs/dbraw/zinc/41/47/37/453414737.db2.gz OXXQQFAVXWWXAV-CABCVRRESA-N 2 0 334.468 1.053 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662697385 453418555 /nfs/dbraw/zinc/41/85/55/453418555.db2.gz FZAIZQHIXIBAOC-HZPDHXFCSA-N 2 0 346.479 1.293 20 0 EDADRP O=C([C@@H]1CCCC[NH+]1Cc1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298025 453419953 /nfs/dbraw/zinc/41/99/53/453419953.db2.gz ZUEHUNOSIOMOKF-OTWHNJEPSA-N 2 0 343.471 1.319 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711930 453435908 /nfs/dbraw/zinc/43/59/08/453435908.db2.gz CVOGVBXFWGPDHU-QZTJIDSGSA-N 2 0 345.487 1.769 20 0 EDADRP c1c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nnn1Cc1cccnc1 ZINC000656782971 453445243 /nfs/dbraw/zinc/44/52/43/453445243.db2.gz KLLCYJMXJVSQHB-GOSISDBHSA-N 2 0 340.475 1.933 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000653266650 453446759 /nfs/dbraw/zinc/44/67/59/453446759.db2.gz CUNYICWJUQJJLM-RAPOUUNCSA-N 2 0 335.492 1.795 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc2c(c1)CCC2=O ZINC000667165318 453448696 /nfs/dbraw/zinc/44/86/96/453448696.db2.gz UJQYEWBDJQPYMD-UHFFFAOYSA-N 2 0 332.448 1.821 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)CCCC2)CC1 ZINC000662726123 453452715 /nfs/dbraw/zinc/45/27/15/453452715.db2.gz LLRRSCZUOQCDCP-INIZCTEOSA-N 2 0 337.508 1.914 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000662733689 453459357 /nfs/dbraw/zinc/45/93/57/453459357.db2.gz VJYQYOLTYAMIFP-CABCVRRESA-N 2 0 341.521 1.218 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCOC[C@@H]1C ZINC000664882978 453462176 /nfs/dbraw/zinc/46/21/76/453462176.db2.gz VMZBYCAFPFMUQD-HRCADAONSA-N 2 0 328.501 1.230 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740788 453466004 /nfs/dbraw/zinc/46/60/04/453466004.db2.gz BXTNNGVEAZVMKW-MJGOQNOKSA-N 2 0 344.503 1.309 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662743268 453471490 /nfs/dbraw/zinc/47/14/90/453471490.db2.gz MQVXSTZZYMPNHN-HOTGVXAUSA-N 2 0 346.479 1.151 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662749405 453480417 /nfs/dbraw/zinc/48/04/17/453480417.db2.gz LJIZQHNDYXDBPP-LSDHHAIUSA-N 2 0 334.468 1.007 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662776787 453511948 /nfs/dbraw/zinc/51/19/48/453511948.db2.gz NZGCZCBRJYIFEQ-NSHDSACASA-N 2 0 329.379 1.524 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1nccn1C ZINC000667257651 453518105 /nfs/dbraw/zinc/51/81/05/453518105.db2.gz RMXKOBCLHOFDIY-HNNXBMFYSA-N 2 0 338.500 1.396 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662792935 453526997 /nfs/dbraw/zinc/52/69/97/453526997.db2.gz ZLVQVUALSRBGLM-KRWDZBQOSA-N 2 0 334.508 1.290 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCO1 ZINC000665043613 453550736 /nfs/dbraw/zinc/55/07/36/453550736.db2.gz CZZWYYMNJXNMPB-NPYXIHBLSA-N 2 0 338.496 1.364 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000660734167 453553756 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ZINC000662973149 453630509 /nfs/dbraw/zinc/63/05/09/453630509.db2.gz OQGXFDOBAFSUEC-HDMKZQKVSA-N 2 0 341.496 1.088 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282808 453633892 /nfs/dbraw/zinc/63/38/92/453633892.db2.gz CFBKGLSECSFLCY-RLLQIKCJSA-N 2 0 330.520 1.780 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000665291156 453638288 /nfs/dbraw/zinc/63/82/88/453638288.db2.gz VPKKEIZHCNGMRL-CJNGLKHVSA-N 2 0 333.480 1.774 20 0 EDADRP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665292960 453639179 /nfs/dbraw/zinc/63/91/79/453639179.db2.gz NMTGGQTUYTYAGY-GDBMZVCRSA-N 2 0 341.459 1.641 20 0 EDADRP CC(C)([NH3+])CCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013224 453647163 /nfs/dbraw/zinc/64/71/63/453647163.db2.gz BMCMMUCDAUUZTK-CQSZACIVSA-N 2 0 348.495 1.043 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659248047 453684290 /nfs/dbraw/zinc/68/42/90/453684290.db2.gz SBKCGMKMAUOHQF-ROUUACIJSA-N 2 0 333.476 1.862 20 0 EDADRP COCC1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC[NH2+]CC1 ZINC000659309971 453710864 /nfs/dbraw/zinc/71/08/64/453710864.db2.gz RDVCZHYYTWTFBL-QGZVFWFLSA-N 2 0 345.487 1.811 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659318897 453714519 /nfs/dbraw/zinc/71/45/19/453714519.db2.gz GWKUJUNXDNOGJZ-NXHRZFHOSA-N 2 0 333.476 1.766 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000659318822 453714749 /nfs/dbraw/zinc/71/47/49/453714749.db2.gz IGGFLGTVRFVRHK-INIZCTEOSA-N 2 0 341.883 1.983 20 0 EDADRP Cc1nc2cc(CNC(=O)CN3CCN(C)CC3)ccc2n1C1CC1 ZINC000665499195 453720224 /nfs/dbraw/zinc/72/02/24/453720224.db2.gz PYGPJWLRSGMXMR-UHFFFAOYSA-N 2 0 341.459 1.543 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659349815 453724670 /nfs/dbraw/zinc/72/46/70/453724670.db2.gz MVSAZGWHLIRTAX-IFIJOSMWSA-N 2 0 337.414 1.916 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000665555898 453747573 /nfs/dbraw/zinc/74/75/73/453747573.db2.gz MWWWIOGIPKDUBR-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000663401397 453790082 /nfs/dbraw/zinc/79/00/82/453790082.db2.gz NALZQWOLBJFSJL-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000680265477 486734180 /nfs/dbraw/zinc/73/41/80/486734180.db2.gz UFSUHNHTUGMGMG-ILXRZTDVSA-N 2 0 348.491 1.380 20 0 EDADRP COc1c2ccccc2[nH]c1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000576965030 486772241 /nfs/dbraw/zinc/77/22/41/486772241.db2.gz LOYJAFLGIWEGQS-UHFFFAOYSA-N 2 0 332.448 1.742 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416832271 486787127 /nfs/dbraw/zinc/78/71/27/486787127.db2.gz WBVKXDKZHWKSGJ-KRWDZBQOSA-N 2 0 334.464 1.693 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C)s1 ZINC000680497437 486791897 /nfs/dbraw/zinc/79/18/97/486791897.db2.gz FAZVXEJNKKVIGW-CYBMUJFWSA-N 2 0 325.482 1.335 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000667526195 486823259 /nfs/dbraw/zinc/82/32/59/486823259.db2.gz HWTIYJBEZKUFEX-ZIAGYGMSSA-N 2 0 348.447 1.081 20 0 EDADRP Cc1ncc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n1C ZINC000667549237 486840350 /nfs/dbraw/zinc/84/03/50/486840350.db2.gz GKVRMROMFRJLJY-UHFFFAOYSA-N 2 0 349.523 1.645 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815545 486859056 /nfs/dbraw/zinc/85/90/56/486859056.db2.gz SMWCZAAUFJYYKV-IBGZPJMESA-N 2 0 333.476 1.317 20 0 EDADRP C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000683933736 486869835 /nfs/dbraw/zinc/86/98/35/486869835.db2.gz XMMIKHXKINUYRI-VQIMIIECSA-N 2 0 334.460 1.791 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000683943667 486875356 /nfs/dbraw/zinc/87/53/56/486875356.db2.gz IJYMSXYZKOINQT-INIZCTEOSA-N 2 0 337.489 1.511 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684199320 486981975 /nfs/dbraw/zinc/98/19/75/486981975.db2.gz NLYOXIRKDDASNB-DLBZAZTESA-N 2 0 332.496 1.027 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)[C@H](C)C3)nc(C)n2)C[C@H]1C ZINC000677152474 486986096 /nfs/dbraw/zinc/98/60/96/486986096.db2.gz CWSGSAXKWMPINV-HZPDHXFCSA-N 2 0 346.523 1.846 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000684257036 487003818 /nfs/dbraw/zinc/00/38/18/487003818.db2.gz SZMRQPUDGSIRRX-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000673650400 487076336 /nfs/dbraw/zinc/07/63/36/487076336.db2.gz QFKZATSHQYOSNX-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000681561716 487088499 /nfs/dbraw/zinc/08/84/99/487088499.db2.gz LKFIUVWPXFDMAM-CYBMUJFWSA-N 2 0 347.463 1.263 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000673810561 487119333 /nfs/dbraw/zinc/11/93/33/487119333.db2.gz UTBUEZFHQRSPGW-AWEZNQCLSA-N 2 0 326.404 1.873 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000673979702 487175628 /nfs/dbraw/zinc/17/56/28/487175628.db2.gz IXXFCEMCDMCVJT-HOCLYGCPSA-N 2 0 326.510 1.207 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[NH+](C)C ZINC000674245542 487222393 /nfs/dbraw/zinc/22/23/93/487222393.db2.gz PKRZVCFYNDBEOG-OAGGEKHMSA-N 2 0 333.476 1.862 20 0 EDADRP C[C@H](O)C[NH+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678236907 487269861 /nfs/dbraw/zinc/26/98/61/487269861.db2.gz LCWAXJMTOKXEPM-SFHVURJKSA-N 2 0 347.503 1.660 20 0 EDADRP NC(=O)C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685474826 487281387 /nfs/dbraw/zinc/28/13/87/487281387.db2.gz LYUPINHBZSTRQB-KRWDZBQOSA-N 2 0 331.460 1.859 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1-n1cncn1 ZINC000678338477 487291821 /nfs/dbraw/zinc/29/18/21/487291821.db2.gz AWWNFAJJKVABIW-NZSAHSFTSA-N 2 0 341.459 1.951 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC[NH+](C)CC1 ZINC000682192895 487318536 /nfs/dbraw/zinc/31/85/36/487318536.db2.gz QBPKNJANVKGMNI-CQSZACIVSA-N 2 0 346.475 1.533 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000675191629 487387068 /nfs/dbraw/zinc/38/70/68/487387068.db2.gz TWZBAIWXBJQZLN-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000682703075 487407523 /nfs/dbraw/zinc/40/75/23/487407523.db2.gz FNFCGLBXVPWDHN-GOSISDBHSA-N 2 0 337.895 1.991 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)CC1 ZINC000675874633 487455224 /nfs/dbraw/zinc/45/52/24/487455224.db2.gz PCWVFMLCKUFBGP-NPCAHTBFSA-N 2 0 349.441 1.981 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000679735541 487462473 /nfs/dbraw/zinc/46/24/73/487462473.db2.gz DHQVHXBPVAFKMP-UHFFFAOYSA-N 2 0 337.537 1.729 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000676045470 487468253 /nfs/dbraw/zinc/46/82/53/487468253.db2.gz IVFIQZLPLDRNQQ-BHYGNILZSA-N 2 0 333.480 1.282 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000669518561 485484309 /nfs/dbraw/zinc/48/43/09/485484309.db2.gz XLNBSZUIBMKRKU-QAPCUYQASA-N 2 0 330.476 1.948 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669288056 485523120 /nfs/dbraw/zinc/52/31/20/485523120.db2.gz OTQWXMWFHPBXOF-SJLPKXTDSA-N 2 0 328.460 1.438 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C)s1 ZINC000680497442 485533333 /nfs/dbraw/zinc/53/33/33/485533333.db2.gz FAZVXEJNKKVIGW-ZDUSSCGKSA-N 2 0 325.482 1.335 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669552190 485547072 /nfs/dbraw/zinc/54/70/72/485547072.db2.gz KFXLKEFEPQPOEM-UPHRSURJSA-N 2 0 346.475 1.518 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000671820440 485617994 /nfs/dbraw/zinc/61/79/94/485617994.db2.gz ZQSDVBCYYYYKQN-BZUAXINKSA-N 2 0 342.528 1.122 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000669583458 485632327 /nfs/dbraw/zinc/63/23/27/485632327.db2.gz DDJKFXNDWHZDCS-RYRKJORJSA-N 2 0 348.491 1.664 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000669184426 485785104 /nfs/dbraw/zinc/78/51/04/485785104.db2.gz ZAPATGBPVPOPGX-MRXNPFEDSA-N 2 0 340.512 1.212 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000668518720 485836153 /nfs/dbraw/zinc/83/61/53/485836153.db2.gz LJDNNRJVDFZWFL-QGZVFWFLSA-N 2 0 330.476 1.950 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000236646343 485930635 /nfs/dbraw/zinc/93/06/35/485930635.db2.gz ZDYWBGHVHQHDQH-CALCHBBNSA-N 2 0 338.540 1.769 20 0 EDADRP CN(C(=O)Cc1cc(C2CC2)no1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668618698 485960415 /nfs/dbraw/zinc/96/04/15/485960415.db2.gz SYZDGZAIXDXHRB-MRXNPFEDSA-N 2 0 346.475 1.721 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422707289 486009222 /nfs/dbraw/zinc/00/92/22/486009222.db2.gz HEXMXYWEQJTMHE-HNAYVOBHSA-N 2 0 345.487 1.864 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000669389588 486025845 /nfs/dbraw/zinc/02/58/45/486025845.db2.gz ZUSWEYDASJTXPB-KBPBESRZSA-N 2 0 326.510 1.337 20 0 EDADRP O[C@H]1CC[N@@H+](C2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000668738150 486107391 /nfs/dbraw/zinc/10/73/91/486107391.db2.gz AYPNJENIUJFGOT-SFHVURJKSA-N 2 0 327.432 1.298 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000669420565 486141307 /nfs/dbraw/zinc/14/13/07/486141307.db2.gz QFPXXTGGAMBRGJ-SFHVURJKSA-N 2 0 330.476 1.904 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])ccc1OCC[NH+](C)C ZINC000178719982 486174782 /nfs/dbraw/zinc/17/47/82/486174782.db2.gz JSTJNKSDEMDCMA-CABCVRRESA-N 2 0 335.448 1.379 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000669443336 486200070 /nfs/dbraw/zinc/20/00/70/486200070.db2.gz KTHJOVYTBXZWHT-CHWSQXEVSA-N 2 0 337.443 1.285 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669469592 486221028 /nfs/dbraw/zinc/22/10/28/486221028.db2.gz ZTNVQBGWMCDMBX-GOEBONIOSA-N 2 0 338.496 1.269 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000669473266 486226949 /nfs/dbraw/zinc/22/69/49/486226949.db2.gz ILLRBCZBNXWMDZ-DLBZAZTESA-N 2 0 338.496 1.271 20 0 EDADRP COCC1(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000669490740 486263879 /nfs/dbraw/zinc/26/38/79/486263879.db2.gz XRGFRSNXZCZFJK-CQSZACIVSA-N 2 0 326.485 1.032 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)c2cc1C ZINC000669943569 486525783 /nfs/dbraw/zinc/52/57/83/486525783.db2.gz IQMKEMXZVZUYGI-OAGGEKHMSA-N 2 0 331.416 1.114 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccncc2N(C)C)CCCO1 ZINC000670079255 486604883 /nfs/dbraw/zinc/60/48/83/486604883.db2.gz FFMFPLACHBYAQM-CQSZACIVSA-N 2 0 335.452 1.192 20 0 EDADRP C[C@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@@H]1CN(C)CCO1 ZINC000133016064 491218986 /nfs/dbraw/zinc/21/89/86/491218986.db2.gz WSLFKAPDLXMIMI-JSGCOSHPSA-N 2 0 326.485 1.314 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)Nc2cnn(CC[NH+](C)C)c2)ccn1 ZINC000136781653 491232251 /nfs/dbraw/zinc/23/22/51/491232251.db2.gz FWIJOGYSZOABLJ-UHFFFAOYSA-N 2 0 346.435 1.032 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(C(F)(F)F)nc1 ZINC000126495175 491014888 /nfs/dbraw/zinc/01/48/88/491014888.db2.gz QICBUGFOPDMQJA-UHFFFAOYSA-N 2 0 333.358 1.061 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000080078247 491170216 /nfs/dbraw/zinc/17/02/16/491170216.db2.gz KLUWANJCWRAKBC-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1noc(-c2cccc(F)c2)n1 ZINC000081354857 491177464 /nfs/dbraw/zinc/17/74/64/491177464.db2.gz BQOAGZBFIPJNTR-UHFFFAOYSA-N 2 0 349.410 1.441 20 0 EDADRP COc1cc(CNC(=O)[C@]2(C)CCCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000180992006 533864475 /nfs/dbraw/zinc/86/44/75/533864475.db2.gz ZNLNPGHLSAZTAP-IBGZPJMESA-N 2 0 349.475 1.784 20 0 EDADRP CNC(=O)c1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530239678 517971267 /nfs/dbraw/zinc/97/12/67/517971267.db2.gz GYHHOTLZQONGOZ-GOSISDBHSA-N 2 0 331.460 1.637 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000131140612 534679924 /nfs/dbraw/zinc/67/99/24/534679924.db2.gz CMHFJNCXZDDKIW-SFHVURJKSA-N 2 0 330.476 1.539 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175066077 528580969 /nfs/dbraw/zinc/58/09/69/528580969.db2.gz KHTIABHDRBTBOF-QGZVFWFLSA-N 2 0 325.497 1.769 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000261879144 534934597 /nfs/dbraw/zinc/93/45/97/534934597.db2.gz TZLIRQCMAOSYMG-UHFFFAOYSA-N 2 0 348.491 1.359 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000247091058 534957655 /nfs/dbraw/zinc/95/76/55/534957655.db2.gz PKQYDIXQEWPQOC-HUUCEWRRSA-N 2 0 339.505 1.977 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@@H]2C)C1 ZINC000248543317 535116646 /nfs/dbraw/zinc/11/66/46/535116646.db2.gz CZEXFJJYHZPLSJ-XMTFNYHQSA-N 2 0 339.524 1.874 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262286579 535128268 /nfs/dbraw/zinc/12/82/68/535128268.db2.gz OHHJUKNXEVBINJ-INIZCTEOSA-N 2 0 333.480 1.056 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333373037 535296277 /nfs/dbraw/zinc/29/62/77/535296277.db2.gz FYRHHQURHLENLH-MRXNPFEDSA-N 2 0 331.464 1.428 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077539495 535535352 /nfs/dbraw/zinc/53/53/52/535535352.db2.gz BNORYGUZQLDRNO-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655894 535595019 /nfs/dbraw/zinc/59/50/19/535595019.db2.gz VGLMFEINZWPEON-HNNXBMFYSA-N 2 0 334.464 1.584 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262679123 535689752 /nfs/dbraw/zinc/68/97/52/535689752.db2.gz SDLPPMFWOIHEGI-UHFFFAOYSA-N 2 0 338.540 1.820 20 0 EDADRP CN(C(=O)C[C@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262330432 536006469 /nfs/dbraw/zinc/00/64/69/536006469.db2.gz GQCLLJFRNOMIPC-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000332279123 536020065 /nfs/dbraw/zinc/02/00/65/536020065.db2.gz QYYCRZFINYVRIP-SJORKVTESA-N 2 0 337.489 1.653 20 0 EDADRP CN(C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[C@H]1C[NH2+]C[C@@H]1O ZINC000333912650 536022272 /nfs/dbraw/zinc/02/22/72/536022272.db2.gz LWOWBWIBZUODJF-HOTGVXAUSA-N 2 0 338.496 1.149 20 0 EDADRP CC[C@@]1(C)CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000075998953 536037515 /nfs/dbraw/zinc/03/75/15/536037515.db2.gz WEJPJKLKERFRGX-MJGOQNOKSA-N 2 0 339.524 1.972 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000109755373 536354913 /nfs/dbraw/zinc/35/49/13/536354913.db2.gz FIUIXRGFAMSVRJ-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](CC(C)C)CC2)[N@H+](C)C1 ZINC000346356650 536778035 /nfs/dbraw/zinc/77/80/35/536778035.db2.gz WACHTIJLWBHQFO-IRXDYDNUSA-N 2 0 340.512 1.467 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[N@H+](C)C1 ZINC000348032866 536778571 /nfs/dbraw/zinc/77/85/71/536778571.db2.gz PHIDPNMKDONNGL-IRXDYDNUSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930959 578602967 /nfs/dbraw/zinc/60/29/67/578602967.db2.gz SMSROMOIDMCGBZ-IAGOWNOFSA-N 2 0 325.497 1.018 20 0 EDADRP COCCC[NH+]1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760475956 580031628 /nfs/dbraw/zinc/03/16/28/580031628.db2.gz GRNCSCJWVPAXHL-UHFFFAOYSA-N 2 0 342.553 1.293 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000732624214 578721203 /nfs/dbraw/zinc/72/12/03/578721203.db2.gz HQYZKPAGDVPRIQ-UHFFFAOYSA-N 2 0 344.569 1.491 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734272625 578804107 /nfs/dbraw/zinc/80/41/07/578804107.db2.gz GGHPGCSLSLQMNV-RDJZCZTQSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000735327191 578876364 /nfs/dbraw/zinc/87/63/64/578876364.db2.gz NPJNJAMCDXDWFJ-VQHPVUNQSA-N 2 0 336.480 1.118 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000748324931 579679589 /nfs/dbraw/zinc/67/95/89/579679589.db2.gz UTRNOZQZWDQXKK-SFHVURJKSA-N 2 0 342.487 1.990 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000749434557 579726724 /nfs/dbraw/zinc/72/67/24/579726724.db2.gz ATVFQSHXEVSPQU-MAUKXSAKSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)CCO2 ZINC000765797264 580151637 /nfs/dbraw/zinc/15/16/37/580151637.db2.gz NUUQSCVVHMPSDP-RHSMWYFYSA-N 2 0 331.460 1.860 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000774378688 580360799 /nfs/dbraw/zinc/36/07/99/580360799.db2.gz YQSZJTOHIWFYCF-IEBWSBKVSA-N 2 0 335.492 1.444 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000776637871 580425076 /nfs/dbraw/zinc/42/50/76/580425076.db2.gz HDHISAPHJCSIAO-VTGFLYEISA-N 2 0 343.471 1.993 20 0 EDADRP CCC[N@H+](CCO)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000778566793 580467576 /nfs/dbraw/zinc/46/75/76/580467576.db2.gz RRWDFLCDEQTRTN-UHFFFAOYSA-N 2 0 348.491 1.471 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)N1CC[NH+](C)CC1 ZINC000786832927 580680654 /nfs/dbraw/zinc/68/06/54/580680654.db2.gz UJLRFBPLMIQSND-HOTGVXAUSA-N 2 0 345.491 1.503 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(Cc3noc(C(C)(C)C)n3)CC2)CC1 ZINC000788494712 580722875 /nfs/dbraw/zinc/72/28/75/580722875.db2.gz SVMUWLRXFJRYPW-UHFFFAOYSA-N 2 0 335.496 1.827 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=S)NCCC[NH+](C)C)CC1 ZINC000795034611 580910874 /nfs/dbraw/zinc/91/08/74/580910874.db2.gz OBPJTBBNRDVSBH-UHFFFAOYSA-N 2 0 337.493 1.038 20 0 EDADRP C[C@H](C[NH2+]CC1CCC2(CC1)OCCO2)CN1CC[NH+](C)CC1 ZINC000795926513 580941521 /nfs/dbraw/zinc/94/15/21/580941521.db2.gz GTYFQKOAKALFDL-MRXNPFEDSA-N 2 0 325.497 1.393 20 0 EDADRP COC(=O)C[C@]1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCOC1 ZINC000800371802 581051454 /nfs/dbraw/zinc/05/14/54/581051454.db2.gz HTLFPWADMGOOMB-GOSISDBHSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCCO1 ZINC000891855055 590656166 /nfs/dbraw/zinc/65/61/66/590656166.db2.gz HSLRSQRWTWVSJR-HOTGVXAUSA-N 2 0 340.512 1.565 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891882160 590668421 /nfs/dbraw/zinc/66/84/21/590668421.db2.gz PFWQKSMUQCEPFI-MOPGFXCFSA-N 2 0 342.487 1.923 20 0 EDADRP CSC1(CNC(=O)N2CC[NH2+]CCC23CCC3)CC[NH+](C)CC1 ZINC000891905381 590680944 /nfs/dbraw/zinc/68/09/44/590680944.db2.gz HJNPCYCBEJIBDR-UHFFFAOYSA-N 2 0 340.537 1.741 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(Cc2cccc3c2OCC3)CC1 ZINC000891925456 590691843 /nfs/dbraw/zinc/69/18/43/590691843.db2.gz GGOLHLYXZUSIHS-UHFFFAOYSA-N 2 0 331.460 1.608 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000891956315 590707116 /nfs/dbraw/zinc/70/71/16/590707116.db2.gz OJLNMIQISRHHJI-HNNXBMFYSA-N 2 0 330.476 1.863 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990533 590731014 /nfs/dbraw/zinc/73/10/14/590731014.db2.gz VYIVJOJLRHDRPT-HZPDHXFCSA-N 2 0 331.464 1.640 20 0 EDADRP C[NH+](C)CCOC1CC[NH+]([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892005569 590739491 /nfs/dbraw/zinc/73/94/91/590739491.db2.gz WQCRQJOBPIGAPB-HZPDHXFCSA-N 2 0 330.444 1.663 20 0 EDADRP CC1(CNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC[NH2+]CC1 ZINC000892057146 590774511 /nfs/dbraw/zinc/77/45/11/590774511.db2.gz KIQURELFXNIUNE-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000892067008 590781927 /nfs/dbraw/zinc/78/19/27/590781927.db2.gz OKJFOINUSKQLMK-QGZVFWFLSA-N 2 0 330.432 1.271 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CCN(C)CC[N@H+](C)CC1)C(C)C ZINC000893371200 590813831 /nfs/dbraw/zinc/81/38/31/590813831.db2.gz YXNQKILOYCLXBH-UHFFFAOYSA-N 2 0 341.544 1.384 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c3c(nn2C)CCOC3)C1 ZINC000892146519 590821539 /nfs/dbraw/zinc/82/15/39/590821539.db2.gz VXMAGPFHKORCCF-HNNXBMFYSA-N 2 0 336.480 1.426 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000909360906 590884683 /nfs/dbraw/zinc/88/46/83/590884683.db2.gz GRFDPHTWTGBUSO-BEFAXECRSA-N 2 0 339.524 1.801 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892324116 590945175 /nfs/dbraw/zinc/94/51/75/590945175.db2.gz HNIAQDPICBXCSR-AWEZNQCLSA-N 2 0 338.402 1.376 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000893622474 591015223 /nfs/dbraw/zinc/01/52/23/591015223.db2.gz SQKAOEJHLSSFGO-YSHGAJCASA-N 2 0 342.487 1.995 20 0 EDADRP CN1CCN([C@H](C[NH2+]CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000892421492 591020941 /nfs/dbraw/zinc/02/09/41/591020941.db2.gz LHKGYOSASUZTIC-QGZVFWFLSA-N 2 0 336.549 1.968 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000893662615 591038707 /nfs/dbraw/zinc/03/87/07/591038707.db2.gz ZLEVSGVBNQYPEV-ZDUSSCGKSA-N 2 0 340.493 1.435 20 0 EDADRP CN(C(=O)NC1CCN(CC[NH+](C)C)CC1)C1(C[NH3+])CCCCC1 ZINC000891340244 591050278 /nfs/dbraw/zinc/05/02/78/591050278.db2.gz MEJJQJMITVPGOW-UHFFFAOYSA-N 2 0 339.528 1.315 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000891364269 591061564 /nfs/dbraw/zinc/06/15/64/591061564.db2.gz TXORULOQOVUBFK-VXGBXAGGSA-N 2 0 335.477 1.296 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892546724 591067922 /nfs/dbraw/zinc/06/79/22/591067922.db2.gz KVDGXSDIYSUVPW-SCTDSRPQSA-N 2 0 346.475 1.002 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892563199 591074163 /nfs/dbraw/zinc/07/41/63/591074163.db2.gz PZWFPDMNLBNCOZ-DLBZAZTESA-N 2 0 343.487 1.627 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000893761438 591080648 /nfs/dbraw/zinc/08/06/48/591080648.db2.gz DNLSXHHSVGNXDA-HIFRSBDPSA-N 2 0 331.420 1.161 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000891508920 591099077 /nfs/dbraw/zinc/09/90/77/591099077.db2.gz QOOYYNDJDHQHPI-GOEBONIOSA-N 2 0 334.464 1.648 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000891515646 591102627 /nfs/dbraw/zinc/10/26/27/591102627.db2.gz BWRYLQAIIWTDOF-UHFFFAOYSA-N 2 0 340.512 1.792 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891526920 591107387 /nfs/dbraw/zinc/10/73/87/591107387.db2.gz GCZKNRFWPNODBO-MAUKXSAKSA-N 2 0 339.528 1.029 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000891541396 591114528 /nfs/dbraw/zinc/11/45/28/591114528.db2.gz JUJYEMYJOUOUMF-QAQDUYKDSA-N 2 0 346.475 1.698 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891545080 591118551 /nfs/dbraw/zinc/11/85/51/591118551.db2.gz IMAGVQUPOUFSRY-UHFFFAOYSA-N 2 0 325.482 1.401 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893866239 591120195 /nfs/dbraw/zinc/12/01/95/591120195.db2.gz IZFSSFLNTGSKIZ-UHFFFAOYSA-N 2 0 327.517 1.090 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCCCC3)C2)CC1 ZINC000891561257 591126055 /nfs/dbraw/zinc/12/60/55/591126055.db2.gz VXZILEXDHIEMKA-OAHLLOKOSA-N 3 0 337.512 1.116 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC000891563877 591127213 /nfs/dbraw/zinc/12/72/13/591127213.db2.gz JLENDXMETQGNCM-JONQDZQNSA-N 2 0 326.485 1.255 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000891565657 591128119 /nfs/dbraw/zinc/12/81/19/591128119.db2.gz QZBJAVQFUYNUKG-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCc2cc(N)cc[nH+]2)CC1 ZINC000891636878 591160941 /nfs/dbraw/zinc/16/09/41/591160941.db2.gz UVUZYSGQLUSKDM-UHFFFAOYSA-N 2 0 335.452 1.352 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000893988866 591160894 /nfs/dbraw/zinc/16/08/94/591160894.db2.gz CZRSTLQILUHNHG-SJLPKXTDSA-N 2 0 343.475 1.644 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755496 591163423 /nfs/dbraw/zinc/16/34/23/591163423.db2.gz INZVMCWEWNZQOG-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642858 591164366 /nfs/dbraw/zinc/16/43/66/591164366.db2.gz AALSZADIGDBCBT-VDHUWJSZSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000891658911 591172237 /nfs/dbraw/zinc/17/22/37/591172237.db2.gz AUFBNUIOUCRSPY-KBRIMQKVSA-N 2 0 328.460 1.625 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892789743 591179728 /nfs/dbraw/zinc/17/97/28/591179728.db2.gz SNPMFGCUHOMBES-PKOBYXMFSA-N 2 0 328.460 1.486 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000891694239 591187761 /nfs/dbraw/zinc/18/77/61/591187761.db2.gz LKOMSPXQDLKAFU-NDUQDZPOSA-N 2 0 336.480 1.030 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892810291 591189106 /nfs/dbraw/zinc/18/91/06/591189106.db2.gz JRHYZZNIAYOXBW-ZWKOTPCHSA-N 2 0 328.460 1.581 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000892835762 591197797 /nfs/dbraw/zinc/19/77/97/591197797.db2.gz DZGUJZGTLJKRAX-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000892835730 591198061 /nfs/dbraw/zinc/19/80/61/591198061.db2.gz DCAHNNUURIQQHZ-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CO[C@H](C)c1noc(CN2CCCN(c3cc[nH+]cc3CO)CC2)n1 ZINC000892847728 591202432 /nfs/dbraw/zinc/20/24/32/591202432.db2.gz YDUJGMSRIRCLJA-CYBMUJFWSA-N 2 0 347.419 1.377 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)N3CCc4sc(C[NH3+])nc4C3)C2)C1 ZINC000892880028 591215289 /nfs/dbraw/zinc/21/52/89/591215289.db2.gz XVCXROKCZZDHRG-KRWDZBQOSA-N 2 0 349.504 1.498 20 0 EDADRP Cc1[nH+]ccc(N2CCN(C(=O)C[NH+](C)C)CC2)c1Br ZINC000891765044 591217423 /nfs/dbraw/zinc/21/74/23/591217423.db2.gz PCLJSKRZYNASDX-UHFFFAOYSA-N 2 0 341.253 1.363 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000892923840 591226367 /nfs/dbraw/zinc/22/63/67/591226367.db2.gz NRGHEPNIPLNLEK-HNNXBMFYSA-N 2 0 326.485 1.352 20 0 EDADRP COC(=O)c1cc(Cl)cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000841124924 591227493 /nfs/dbraw/zinc/22/74/93/591227493.db2.gz WTGRDQGIIWAHGR-CYBMUJFWSA-N 2 0 340.811 1.233 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[NH2+]C[C@H]2c2ccc(OC)cc2)CC1 ZINC000892936230 591230100 /nfs/dbraw/zinc/23/01/00/591230100.db2.gz YSQKBEBFMJRNSI-KRWDZBQOSA-N 2 0 346.475 1.965 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895626734 591234711 /nfs/dbraw/zinc/23/47/11/591234711.db2.gz VQORYCUAGKFJRP-RBUKOAKNSA-N 2 0 343.471 1.660 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cs1 ZINC000894242401 591242053 /nfs/dbraw/zinc/24/20/53/591242053.db2.gz ZAQUTJQLVVDKQC-UHFFFAOYSA-N 2 0 339.505 1.898 20 0 EDADRP C[C@@H]1OC[C@]2(CC[C@H](C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)O2)[C@H]1C ZINC000895818641 591280636 /nfs/dbraw/zinc/28/06/36/591280636.db2.gz FEFGIUZIRSSOIB-MFWIUYSUSA-N 2 0 340.508 1.784 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000895932279 591306592 /nfs/dbraw/zinc/30/65/92/591306592.db2.gz MAMUNEOYCDDRNA-KZNAEPCWSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@H](C[S@@](C)=O)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894445179 591313747 /nfs/dbraw/zinc/31/37/47/591313747.db2.gz NXSRJKJHBUEMSK-DJNLSKAYSA-N 2 0 348.415 1.926 20 0 EDADRP CN(CC[N@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2)C1CC[NH+](C)CC1 ZINC000894453079 591315939 /nfs/dbraw/zinc/31/59/39/591315939.db2.gz AMOAYYJLYBIYIR-IRXDYDNUSA-N 2 0 343.487 1.578 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894759906 591406613 /nfs/dbraw/zinc/40/66/13/591406613.db2.gz BNVBPXYJGKGSEA-UHFFFAOYSA-N 2 0 333.480 1.974 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000894762367 591413451 /nfs/dbraw/zinc/41/34/51/591413451.db2.gz FCCXGDXMFVROQD-UHFFFAOYSA-N 2 0 334.464 1.797 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000898595973 591429544 /nfs/dbraw/zinc/42/95/44/591429544.db2.gz MVTCJOBIIMLWFZ-MRXNPFEDSA-N 2 0 338.496 1.082 20 0 EDADRP Cn1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(C2CC2)n1 ZINC000894894491 591462843 /nfs/dbraw/zinc/46/28/43/591462843.db2.gz MAQLASLHKXALIF-UHFFFAOYSA-N 2 0 347.507 1.184 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000897469169 591470684 /nfs/dbraw/zinc/47/06/84/591470684.db2.gz FIBMZCVOINERRS-JKSUJKDBSA-N 2 0 331.464 1.644 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000896498865 591482315 /nfs/dbraw/zinc/48/23/15/591482315.db2.gz DTNODJKWQLCCLH-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000897481679 591487418 /nfs/dbraw/zinc/48/74/18/591487418.db2.gz HIAWTNGMUAXBBL-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000897483681 591489287 /nfs/dbraw/zinc/48/92/87/591489287.db2.gz SNZWSDRQOWNUDZ-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000897517544 591517454 /nfs/dbraw/zinc/51/74/54/591517454.db2.gz AZQVVCVPVHBFTE-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+](C)CCN1C ZINC000896567923 591529464 /nfs/dbraw/zinc/52/94/64/591529464.db2.gz JSEZMQCEEOHAME-YTQUADARSA-N 2 0 344.503 1.402 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)CCC(N)=O)CC1 ZINC000896715360 591592003 /nfs/dbraw/zinc/59/20/03/591592003.db2.gz RIXKWLIKSOQGSI-UHFFFAOYSA-N 2 0 332.492 1.916 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896749846 591602591 /nfs/dbraw/zinc/60/25/91/591602591.db2.gz YTDCDUTXGNBTLQ-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[N@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)Cc1ccc(F)cc1 ZINC000896841688 591629653 /nfs/dbraw/zinc/62/96/53/591629653.db2.gz VPSWVGCYRNOTEH-QGZVFWFLSA-N 2 0 335.423 1.094 20 0 EDADRP CC(C)(C)OC(=O)N1CC(O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000895206457 591655975 /nfs/dbraw/zinc/65/59/75/591655975.db2.gz FELWMEFMVHOKLJ-KBPBESRZSA-N 2 0 325.453 1.185 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cncc(F)c2Cl)C[C@H]1C[NH+](C)C ZINC000899157039 591711058 /nfs/dbraw/zinc/71/10/58/591711058.db2.gz BFHUAXVUMUROQU-VXGBXAGGSA-N 2 0 342.846 1.686 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897232233 591778968 /nfs/dbraw/zinc/77/89/68/591778968.db2.gz MOYRUUZAJRZMFI-GOSISDBHSA-N 2 0 329.444 1.400 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000899989990 591858616 /nfs/dbraw/zinc/85/86/16/591858616.db2.gz DASGXKCZWPIXNL-UHFFFAOYSA-N 2 0 329.448 1.436 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000900012540 591862657 /nfs/dbraw/zinc/86/26/57/591862657.db2.gz BPBCACJGAQNHJB-HKUYNNGSSA-N 2 0 349.475 1.261 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000900013315 591863715 /nfs/dbraw/zinc/86/37/15/591863715.db2.gz JPUOLCPWDPXLOV-QGZVFWFLSA-N 2 0 347.438 1.617 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[NH+](CC(C)C)CC2)C1 ZINC000900011664 591866417 /nfs/dbraw/zinc/86/64/17/591866417.db2.gz YQHCDPVQMZKARD-INIZCTEOSA-N 2 0 339.480 1.062 20 0 EDADRP C[N@H+](CCO)CCNC(=O)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000899731844 591918284 /nfs/dbraw/zinc/91/82/84/591918284.db2.gz MRUQBCJYMZRYMQ-INIZCTEOSA-N 2 0 337.439 1.078 20 0 EDADRP COc1c[nH]c(CO)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1=O ZINC000902138291 591919766 /nfs/dbraw/zinc/91/97/66/591919766.db2.gz IDOIZHRXUVMJPV-UHFFFAOYSA-N 2 0 335.448 1.184 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)Cc1c(CO)[nH]cc(OC)c1=O ZINC000902236920 591952735 /nfs/dbraw/zinc/95/27/35/591952735.db2.gz CHORFNCNNPCANE-UHFFFAOYSA-N 2 0 348.447 1.547 20 0 EDADRP CCNc1ccccc1C[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000902245998 591958581 /nfs/dbraw/zinc/95/85/81/591958581.db2.gz VSVWRZJCBDOEAE-GOSISDBHSA-N 2 0 332.492 1.615 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)C2(O)CCOCC2)cc1 ZINC000899868258 591966181 /nfs/dbraw/zinc/96/61/81/591966181.db2.gz XBDIYDPNVXVYFO-SFHVURJKSA-N 2 0 336.476 1.520 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)CC2)c1=O ZINC000902378441 591984031 /nfs/dbraw/zinc/98/40/31/591984031.db2.gz ZTTGCFPTVMJDLQ-MRXNPFEDSA-N 2 0 347.507 1.600 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000899927293 591984274 /nfs/dbraw/zinc/98/42/74/591984274.db2.gz OSLNDIAGMVITGR-HKUYNNGSSA-N 2 0 331.460 1.222 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2ncc3sccc3c2=O)C[C@H]1C[NH+](C)C ZINC000902350706 591985051 /nfs/dbraw/zinc/98/50/51/591985051.db2.gz VGGRDHZGQBLIDL-ZIAGYGMSSA-N 2 0 349.504 1.087 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900336598 591987966 /nfs/dbraw/zinc/98/79/66/591987966.db2.gz VSHTZJVFVROWHY-JTDSTZFVSA-N 2 0 339.524 1.706 20 0 EDADRP Cc1ncc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000900454179 592022262 /nfs/dbraw/zinc/02/22/62/592022262.db2.gz CPJMGGSEJKMDSM-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP Cc1cn(C)nc1CONC(=[NH2+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000902727240 592053346 /nfs/dbraw/zinc/05/33/46/592053346.db2.gz UHGMIVWSDRRECG-KRWDZBQOSA-N 2 0 343.431 1.628 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cn(C)nn1 ZINC000902835671 592071887 /nfs/dbraw/zinc/07/18/87/592071887.db2.gz MZMJBNUTEOICJQ-CYBMUJFWSA-N 2 0 336.484 1.092 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000900627300 592075961 /nfs/dbraw/zinc/07/59/61/592075961.db2.gz ZFWSWKYKPFJTCS-CTWPCTMYSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@@H](CNC(=O)c1ccnn1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000900656205 592082577 /nfs/dbraw/zinc/08/25/77/592082577.db2.gz QQZRSRMYAGRZLP-INIZCTEOSA-N 2 0 343.475 1.695 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900705560 592099863 /nfs/dbraw/zinc/09/98/63/592099863.db2.gz GBHDOOKGRCRLNY-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@H]1C(C)C ZINC000903116964 592123504 /nfs/dbraw/zinc/12/35/04/592123504.db2.gz BSSFDYDQCJXESJ-MKXGPGLRSA-N 2 0 337.508 1.457 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000903188575 592135483 /nfs/dbraw/zinc/13/54/83/592135483.db2.gz GOJXXRAGQTVQLS-GJZGRUSLSA-N 2 0 343.537 1.843 20 0 EDADRP C[C@@H]([NH2+]CCN1CCCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000903226070 592137183 /nfs/dbraw/zinc/13/71/83/592137183.db2.gz DHIDCJPJTUSLTN-QGZVFWFLSA-N 2 0 335.492 2.000 20 0 EDADRP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903207713 592138107 /nfs/dbraw/zinc/13/81/07/592138107.db2.gz ZPCVABMKFARYHB-IVZBYUQCSA-N 2 0 349.519 1.350 20 0 EDADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CC)C2)C1 ZINC000900890147 592158274 /nfs/dbraw/zinc/15/82/74/592158274.db2.gz MOPYCDLYMKSBNW-JKSUJKDBSA-N 2 0 339.480 1.062 20 0 EDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCOCCN1C(=O)c2ccccc2C1=O ZINC000903424925 592171235 /nfs/dbraw/zinc/17/12/35/592171235.db2.gz LTRBHMCHBOOGIW-KRWDZBQOSA-N 2 0 347.459 1.604 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@@H]3CC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903458570 592171320 /nfs/dbraw/zinc/17/13/20/592171320.db2.gz DLMLEJXSDVBUJF-FRRDWIJNSA-N 2 0 333.358 1.484 20 0 EDADRP C[N@H+](CCOCCN1C(=O)c2ccccc2C1=O)[C@@H]1CCC[NH2+]CC1 ZINC000903448701 592172861 /nfs/dbraw/zinc/17/28/61/592172861.db2.gz KBQOHARRKBMGQJ-OAHLLOKOSA-N 2 0 345.443 1.373 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445707 592172983 /nfs/dbraw/zinc/17/29/83/592172983.db2.gz NKDHPYJGSHNPHQ-ZNMIVQPWSA-N 2 0 337.468 1.412 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)NC1CCCCCC1)C2 ZINC000903490636 592184391 /nfs/dbraw/zinc/18/43/91/592184391.db2.gz BHCDBNLIAZZPMU-IYOUNJFTSA-N 2 0 337.464 1.038 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1ccc(OC)cc1)C2 ZINC000903492640 592184846 /nfs/dbraw/zinc/18/48/46/592184846.db2.gz PCOGUAZUUOQFQR-IYOUNJFTSA-N 2 0 334.416 1.286 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCN(c3ccccc3)C1=O)C2 ZINC000903493100 592185727 /nfs/dbraw/zinc/18/57/27/592185727.db2.gz UHCXHPATVAGXFE-ZDXGLAPJSA-N 2 0 343.427 1.004 20 0 EDADRP CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc1 ZINC000903525211 592197964 /nfs/dbraw/zinc/19/79/64/592197964.db2.gz DRSYUTAPMMIYMS-AEFFLSMTSA-N 2 0 332.448 1.217 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900990883 592198906 /nfs/dbraw/zinc/19/89/06/592198906.db2.gz CQIJTQUBWUSAFI-KRWDZBQOSA-N 2 0 339.505 1.485 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc1Cl ZINC000903527368 592205840 /nfs/dbraw/zinc/20/58/40/592205840.db2.gz WZJXHSHQSNDGMV-ZBFHGGJFSA-N 2 0 336.867 1.780 20 0 EDADRP Cn1ccc([C@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)n1 ZINC000903563476 592211117 /nfs/dbraw/zinc/21/11/17/592211117.db2.gz DRNXXZAOCFOCHM-LNLFQRSKSA-N 2 0 328.460 1.530 20 0 EDADRP O=c1[nH]c2cccc(N3CC[NH+](CC[C@@H]4CCC[NH2+]C4)CC3)c2[nH]1 ZINC000903577707 592228654 /nfs/dbraw/zinc/22/86/54/592228654.db2.gz RWRIBSNENCVILF-AWEZNQCLSA-N 2 0 329.448 1.780 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904384333 592247672 /nfs/dbraw/zinc/24/76/72/592247672.db2.gz IVGVLRLVYJAWRS-SOLBZPMBSA-N 2 0 343.427 1.379 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665559 592248247 /nfs/dbraw/zinc/24/82/47/592248247.db2.gz ZECRFUQGLGDOII-XJKSGUPXSA-N 2 0 346.475 1.618 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901133026 592251426 /nfs/dbraw/zinc/25/14/26/592251426.db2.gz AEPZKVFURIJHIQ-JWHDQAAXSA-N 2 0 349.519 1.820 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1C1CC1 ZINC000906671285 592252741 /nfs/dbraw/zinc/25/27/41/592252741.db2.gz PRAIYPRXVWVLTQ-SJORKVTESA-N 2 0 325.497 1.534 20 0 EDADRP COc1cc2c(cc1OC)C[N@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903718867 592280907 /nfs/dbraw/zinc/28/09/07/592280907.db2.gz SLTVKJWZPHDORL-QFBILLFUSA-N 2 0 332.444 1.831 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000908034708 592282018 /nfs/dbraw/zinc/28/20/18/592282018.db2.gz GRRMZVKLJHJVNI-KZNAEPCWSA-N 2 0 335.492 1.574 20 0 EDADRP CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903730767 592287203 /nfs/dbraw/zinc/28/72/03/592287203.db2.gz YZCTZYRZDXTHIS-ROUUACIJSA-N 2 0 343.471 1.882 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000904576679 592290527 /nfs/dbraw/zinc/29/05/27/592290527.db2.gz JHKYANPLBVVNPR-UHFFFAOYSA-N 2 0 334.464 1.801 20 0 EDADRP c1ccc(CN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000903745616 592292194 /nfs/dbraw/zinc/29/21/94/592292194.db2.gz LJZMMAVYPZOMOO-UFYCRDLUSA-N 3 0 344.503 1.794 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H](C)C1 ZINC000904597556 592292421 /nfs/dbraw/zinc/29/24/21/592292421.db2.gz TYFOGIDLQJYBBH-ZIAGYGMSSA-N 2 0 334.464 1.799 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000904607896 592295104 /nfs/dbraw/zinc/29/51/04/592295104.db2.gz VRLUFHGERRXYTL-DLBZAZTESA-N 2 0 346.475 1.943 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C34CCC(CC3)[NH2+]4)n2)ccn1 ZINC000904626649 592298381 /nfs/dbraw/zinc/29/83/81/592298381.db2.gz NSYNDQQLYNMUPU-UHFFFAOYSA-N 2 0 329.404 1.813 20 0 EDADRP Cc1cc(C2([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CCOCC2)on1 ZINC000903775314 592318090 /nfs/dbraw/zinc/31/80/90/592318090.db2.gz KIVJKBNOQCCINJ-HNNXBMFYSA-N 2 0 335.448 1.737 20 0 EDADRP NC(=O)Cc1cccc2c1CC[N@H+](C[C@H]1CC3(CO1)CC[NH2+]CC3)C2 ZINC000903777521 592319447 /nfs/dbraw/zinc/31/94/47/592319447.db2.gz BXVNCEKNYTUWER-QGZVFWFLSA-N 2 0 343.471 1.231 20 0 EDADRP C[C@]1([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)COC(=O)N1 ZINC000903785965 592321866 /nfs/dbraw/zinc/32/18/66/592321866.db2.gz CVSVEGKFFXWGBG-YQQAZPJKSA-N 2 0 337.464 1.356 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cnn1C ZINC000903889640 592350984 /nfs/dbraw/zinc/35/09/84/592350984.db2.gz URYHKKGHJPOTSB-IRXDYDNUSA-N 2 0 342.491 1.675 20 0 EDADRP CCc1noc([C@@H](C)N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903892643 592366508 /nfs/dbraw/zinc/36/65/08/592366508.db2.gz VNASJHDERGHXAZ-WZYMTQMTSA-N 2 0 333.480 1.841 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202078 592379748 /nfs/dbraw/zinc/37/97/48/592379748.db2.gz IFEWPQOGSGVXLK-QZTJIDSGSA-N 2 0 331.460 1.081 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(C)nn(C(C)(C)C)c1C)C2 ZINC000903978492 592399408 /nfs/dbraw/zinc/39/94/08/592399408.db2.gz HHSOPLMRFQYVGG-KHYOSLBOSA-N 2 0 348.491 1.967 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098495 592404415 /nfs/dbraw/zinc/40/44/15/592404415.db2.gz SWBPVCLQJLLHFO-RBUKOAKNSA-N 2 0 332.488 1.807 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC000906891138 592407805 /nfs/dbraw/zinc/40/78/05/592407805.db2.gz XGSDQQJUQUUSJS-AEFFLSMTSA-N 2 0 339.524 1.660 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905145189 592436474 /nfs/dbraw/zinc/43/64/74/592436474.db2.gz BYGQRJZPNIDLFU-OALUTQOASA-N 2 0 335.492 1.087 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905347722 592501986 /nfs/dbraw/zinc/50/19/86/592501986.db2.gz BHYHINNHTXYXSK-SJORKVTESA-N 2 0 328.497 1.259 20 0 EDADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1cc2ccccc2o1 ZINC000905388208 592514712 /nfs/dbraw/zinc/51/47/12/592514712.db2.gz CDOUVMAXUQDRBL-GJZGRUSLSA-N 2 0 331.416 1.396 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908524698 592520671 /nfs/dbraw/zinc/52/06/71/592520671.db2.gz HNGXUMRWCBQXKJ-FUHWJXTLSA-N 2 0 325.497 1.460 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908598129 592549016 /nfs/dbraw/zinc/54/90/16/592549016.db2.gz KBCLCMLBIUSRSA-UHFFFAOYSA-N 2 0 345.553 1.413 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000905533278 592554178 /nfs/dbraw/zinc/55/41/78/592554178.db2.gz FDGCSWPDAFBCRK-LXPRWKDFSA-N 2 0 340.508 1.666 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907231771 592560349 /nfs/dbraw/zinc/56/03/49/592560349.db2.gz SKFYKDZGYWMIID-INIZCTEOSA-N 2 0 332.492 1.117 20 0 EDADRP Cc1[nH+]ccc(N2CCN([C@@H]3CC[NH2+]C3)CC2)c1Br ZINC000905635238 592592776 /nfs/dbraw/zinc/59/27/76/592592776.db2.gz FACDNXNFZKPDDL-GFCCVEGCSA-N 2 0 325.254 1.636 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000905734900 592631915 /nfs/dbraw/zinc/63/19/15/592631915.db2.gz XWYSBIXQFTULPV-ALKREAHSSA-N 2 0 342.443 1.038 20 0 EDADRP CC1(O)CCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)ncn2)CC1 ZINC000906094032 592740835 /nfs/dbraw/zinc/74/08/35/592740835.db2.gz LHUFSPXCAXKTQM-IBGZPJMESA-N 2 0 345.491 1.798 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906382104 592814223 /nfs/dbraw/zinc/81/42/23/592814223.db2.gz RDNRNZVTBBSWDR-HZPDHXFCSA-N 2 0 338.540 1.353 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)c1cnn2cc(CC[NH3+])cnc12 ZINC000911684400 592981075 /nfs/dbraw/zinc/98/10/75/592981075.db2.gz BFGVMIYVKJGDCB-UHFFFAOYSA-N 2 0 338.415 1.592 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@H]21 ZINC000911734485 592992418 /nfs/dbraw/zinc/99/24/18/592992418.db2.gz CJOWRYIQKPWRTD-QGPMSJSTSA-N 2 0 343.475 1.598 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C12CC(C1)C[NH2+]2 ZINC000911740687 592994206 /nfs/dbraw/zinc/99/42/06/592994206.db2.gz OJEXSHTWQKLZJS-UHFFFAOYSA-N 2 0 329.400 1.286 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C1=CCC[NH2+]CC1 ZINC000911743403 592994885 /nfs/dbraw/zinc/99/48/85/592994885.db2.gz AVRHQCGBUYVXQW-QGZVFWFLSA-N 2 0 343.427 1.844 20 0 EDADRP CC(C)(C[NH3+])CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911751825 592997552 /nfs/dbraw/zinc/99/75/52/592997552.db2.gz PLAQCQYJPSLWAG-ZDUSSCGKSA-N 2 0 333.432 1.909 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC000911862461 593023793 /nfs/dbraw/zinc/02/37/93/593023793.db2.gz XHDWFIAFVWTUPO-IBGZPJMESA-N 2 0 331.460 1.644 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000911884481 593030535 /nfs/dbraw/zinc/03/05/35/593030535.db2.gz QLZIKYOVQGBESZ-MAUKXSAKSA-N 2 0 349.475 1.134 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2n[nH]cc2[C@H]1C ZINC000912303548 593085112 /nfs/dbraw/zinc/08/51/12/593085112.db2.gz KMLBZRZCRGSDOT-KKUMJFAQSA-N 2 0 335.496 1.464 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)CC[N@@H+]1C ZINC000912586875 593106480 /nfs/dbraw/zinc/10/64/80/593106480.db2.gz ZAQYEFCNVLIULG-JKSUJKDBSA-N 2 0 325.497 1.316 20 0 EDADRP CC[C@H](C(=O)O[C@@H]1CCCN(c2cc[nH+]c(N)n2)C1)[NH+](CC)CC ZINC000810764503 593428189 /nfs/dbraw/zinc/42/81/89/593428189.db2.gz JXQGHHMTMMLIJV-ZIAGYGMSSA-N 2 0 335.452 1.691 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]2C[C@@H]21 ZINC000806644780 593461707 /nfs/dbraw/zinc/46/17/07/593461707.db2.gz IHHUVMPKYVYNEI-AEFFLSMTSA-N 2 0 343.475 1.788 20 0 EDADRP [NH3+][C@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859060 593641731 /nfs/dbraw/zinc/64/17/31/593641731.db2.gz OQWKVESHNNOKMS-HOTGVXAUSA-N 2 0 331.416 1.661 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CSCCS2)CC[NH2+]CC1 ZINC000817900781 593646986 /nfs/dbraw/zinc/64/69/86/593646986.db2.gz WFVZIWYHDPAMFG-QWHCGFSZSA-N 2 0 332.535 1.746 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)CC[NH2+]CC1 ZINC000817911591 593647765 /nfs/dbraw/zinc/64/77/65/593647765.db2.gz CUJOKGRAYHSSQG-QAPCUYQASA-N 2 0 334.460 1.805 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CCO)Cc2ccccc2)CC[NH2+]CC1 ZINC000817927971 593649531 /nfs/dbraw/zinc/64/95/31/593649531.db2.gz OWYZZUHEMPGMKY-SJLPKXTDSA-N 2 0 348.487 1.891 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(F)c(F)c3)C2)CC1 ZINC000819052848 593735800 /nfs/dbraw/zinc/73/58/00/593735800.db2.gz FNDJRQUDEHLOCD-KSSFIOAISA-N 2 0 339.430 1.756 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819058001 593736313 /nfs/dbraw/zinc/73/63/13/593736313.db2.gz BVQQDFXWPXNIMZ-KSSFIOAISA-N 2 0 341.446 1.861 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)c1c(F)cccc1F)CN1CC[NH+](C)CC1 ZINC000819058353 593736332 /nfs/dbraw/zinc/73/63/32/593736332.db2.gz IVCYSTNMZVMWQX-XJKSGUPXSA-N 2 0 327.419 1.471 20 0 EDADRP C[C@H]1CN=C(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)S1 ZINC000820282915 593805985 /nfs/dbraw/zinc/80/59/85/593805985.db2.gz FWIHGLPGWFJSRS-ZFWWWQNUSA-N 2 0 336.505 1.639 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585557 594043282 /nfs/dbraw/zinc/04/32/82/594043282.db2.gz SJMIWGJMTUFHLO-OAHLLOKOSA-N 2 0 343.479 1.545 20 0 EDADRP COc1ccc(CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c(C)c1 ZINC000824820431 594079709 /nfs/dbraw/zinc/07/97/09/594079709.db2.gz YREZERHCBCKUQV-INIZCTEOSA-N 2 0 335.492 1.934 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC(O)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000825111561 594131394 /nfs/dbraw/zinc/13/13/94/594131394.db2.gz OJWPWDVSCXUGHB-YLJYHZDGSA-N 2 0 347.503 1.322 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCCCCC[NH3+])CC2)c1 ZINC000831263108 594594488 /nfs/dbraw/zinc/59/44/88/594594488.db2.gz BXMABYUWTLSUNP-UHFFFAOYSA-N 2 0 335.452 1.441 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@H]([NH3+])C3CC3)nc2)CC1 ZINC000831362755 594615908 /nfs/dbraw/zinc/61/59/08/594615908.db2.gz LRCBRBDPBYUVHW-INIZCTEOSA-N 2 0 331.464 1.678 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[C@@H]([NH3+])C2CC2)CC1 ZINC000827023497 594625521 /nfs/dbraw/zinc/62/55/21/594625521.db2.gz CCNXCWXAKBPSAR-LJQANCHMSA-N 2 0 344.503 1.568 20 0 EDADRP CCO[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C[NH+](C)C ZINC000831758278 594700248 /nfs/dbraw/zinc/70/02/48/594700248.db2.gz XMRSNOLCXUOCMJ-ZWKOTPCHSA-N 2 0 333.476 1.734 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CCN(C[C@H]3CCCO3)CC2)c1 ZINC000841286660 594881709 /nfs/dbraw/zinc/88/17/09/594881709.db2.gz GYHBTSAFSFHHRO-QGZVFWFLSA-N 2 0 348.447 1.353 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CC[NH2+]1 ZINC000841846498 594963887 /nfs/dbraw/zinc/96/38/87/594963887.db2.gz JWNUJXKMTUYONW-GRDNDAEWSA-N 2 0 345.443 1.922 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847870 594964793 /nfs/dbraw/zinc/96/47/93/594964793.db2.gz WUNIMZMQMFJAJQ-AWEZNQCLSA-N 2 0 345.443 1.924 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847863 594964896 /nfs/dbraw/zinc/96/48/96/594964896.db2.gz WMWWTEMDRFSEQV-IRXDYDNUSA-N 2 0 345.443 1.922 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2CCn3ccnc32)C2CC3CC(C2)CC1C3 ZINC000841906899 594979715 /nfs/dbraw/zinc/97/97/15/594979715.db2.gz HQIZSTQVVNVDTM-PETOAZBISA-N 2 0 329.448 1.781 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841926927 594983363 /nfs/dbraw/zinc/98/33/63/594983363.db2.gz MKTQIDMRGSEFOS-GOSISDBHSA-N 2 0 332.492 1.802 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000843279738 595060696 /nfs/dbraw/zinc/06/06/96/595060696.db2.gz KOTBGVIYGAPZIF-XHSDSOJGSA-N 2 0 342.553 1.386 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N1CC[C@H](C[NH3+])C1 ZINC000843348438 595082247 /nfs/dbraw/zinc/08/22/47/595082247.db2.gz NPHTUNZEGLJZHT-HUUCEWRRSA-N 2 0 332.448 1.131 20 0 EDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000842471549 595113444 /nfs/dbraw/zinc/11/34/44/595113444.db2.gz IHNGBQQCWPRTDG-MRXNPFEDSA-N 2 0 346.475 1.393 20 0 EDADRP Cc1ccc2c(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1C ZINC000842475657 595115058 /nfs/dbraw/zinc/11/50/58/595115058.db2.gz XMVSQERLMLCYBH-QGZVFWFLSA-N 2 0 341.455 1.889 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000844169985 595290391 /nfs/dbraw/zinc/29/03/91/595290391.db2.gz DNUVFGINLIRVAX-ZWKOTPCHSA-N 2 0 331.460 1.489 20 0 EDADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183171 595294786 /nfs/dbraw/zinc/29/47/86/595294786.db2.gz UZNFHSDTRMMWGV-QGZVFWFLSA-N 2 0 335.448 1.358 20 0 EDADRP CC1(C)CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000844182762 595294860 /nfs/dbraw/zinc/29/48/60/595294860.db2.gz LLNNSMSVRFGPLD-GOSISDBHSA-N 2 0 345.487 1.878 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844184165 595295673 /nfs/dbraw/zinc/29/56/73/595295673.db2.gz BCOPEKSDDVIFCO-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP CC1([NH3+])CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000844223428 595308130 /nfs/dbraw/zinc/30/81/30/595308130.db2.gz WRPQWKVBWVVWMF-UHFFFAOYSA-N 2 0 332.448 1.275 20 0 EDADRP Cn1c(Cl)ncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000848523641 595402457 /nfs/dbraw/zinc/40/24/57/595402457.db2.gz APZUPXATQZPMBD-UHFFFAOYSA-N 2 0 334.855 1.510 20 0 EDADRP [NH2+]=C(NCCNC(=O)C1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849055905 595476048 /nfs/dbraw/zinc/47/60/48/595476048.db2.gz KMJLWKKZNCRVFL-UHFFFAOYSA-N 2 0 343.475 1.291 20 0 EDADRP COC(=O)[C@@H](C)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849074059 595478283 /nfs/dbraw/zinc/47/82/83/595478283.db2.gz BLYUVQBPGGSIIR-AWEZNQCLSA-N 2 0 332.448 1.574 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000849074151 595478290 /nfs/dbraw/zinc/47/82/90/595478290.db2.gz BBFPPWMGCKKFEJ-INIZCTEOSA-N 2 0 331.464 1.405 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000849082115 595479599 /nfs/dbraw/zinc/47/95/99/595479599.db2.gz VQSMKPGDNUTBQB-UHFFFAOYSA-N 2 0 325.407 1.927 20 0 EDADRP COC[C@@H](C)NC(=[NH2+])NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000849117602 595484791 /nfs/dbraw/zinc/48/47/91/595484791.db2.gz MZDKPRZPRUSJKR-OAHLLOKOSA-N 2 0 334.464 1.162 20 0 EDADRP CCCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000849117482 595485018 /nfs/dbraw/zinc/48/50/18/595485018.db2.gz GYMJVHJGEPBEMI-UHFFFAOYSA-N 2 0 331.464 1.408 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486799 595547970 /nfs/dbraw/zinc/54/79/70/595547970.db2.gz JAKVYKLJGBDUTC-MSOLQXFVSA-N 2 0 347.507 1.448 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000849522091 595558326 /nfs/dbraw/zinc/55/83/26/595558326.db2.gz JHXQXXHSQJIBOR-DJIMGWMZSA-N 2 0 333.480 1.056 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849540373 595559552 /nfs/dbraw/zinc/55/95/52/595559552.db2.gz FIGCIYOEPXEPNE-ZWKOTPCHSA-N 2 0 349.523 1.692 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849561877 595568820 /nfs/dbraw/zinc/56/88/20/595568820.db2.gz LOSLOIMVDGHVDE-ZSGPHXLJSA-N 2 0 345.491 1.054 20 0 EDADRP COc1ccc([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000852854860 595577185 /nfs/dbraw/zinc/57/71/85/595577185.db2.gz RPLPDPKPOVBQOZ-RDJZCZTQSA-N 2 0 346.431 1.052 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602807 595590138 /nfs/dbraw/zinc/59/01/38/595590138.db2.gz QWCQGWJUOXYSRH-IRXDYDNUSA-N 2 0 347.507 1.446 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@H](O)c2ccccn2)C1 ZINC000853126653 595673825 /nfs/dbraw/zinc/67/38/25/595673825.db2.gz PHOGOFZNDATCDG-UYAOXDASSA-N 2 0 340.471 1.521 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)C1 ZINC000853250099 595720227 /nfs/dbraw/zinc/72/02/27/595720227.db2.gz ZWDMZKCCIKJNFK-HOTGVXAUSA-N 2 0 333.480 1.425 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]C[C@H]2CCCCN2CCO)CC1 ZINC000850471968 595839999 /nfs/dbraw/zinc/83/99/99/595839999.db2.gz VDJOVTWWIKPBLJ-UYSNPLJNSA-N 2 0 327.469 1.480 20 0 EDADRP C[C@H]1CN=C(N2CCN(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)S1 ZINC000851852869 595947795 /nfs/dbraw/zinc/94/77/95/595947795.db2.gz QTZSDWFTIVOARH-ZNMIVQPWSA-N 2 0 326.510 1.205 20 0 EDADRP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000852107877 596046980 /nfs/dbraw/zinc/04/69/80/596046980.db2.gz QEMYLGFNZCCLHM-CABCVRRESA-N 2 0 334.397 1.989 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861630998 596052471 /nfs/dbraw/zinc/05/24/71/596052471.db2.gz XHYJYSZJXMGVNX-WDYCEAGBSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000861717807 596079126 /nfs/dbraw/zinc/07/91/26/596079126.db2.gz TZZYNAZSKGLNND-ROUUACIJSA-N 2 0 331.460 1.072 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2cccc([C@@H]3CCC[NH+](C)C3)c2)C1 ZINC000857180245 596177571 /nfs/dbraw/zinc/17/75/71/596177571.db2.gz XQKAJWZWIHZHQF-MJGOQNOKSA-N 2 0 331.460 1.292 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714571 596306667 /nfs/dbraw/zinc/30/66/67/596306667.db2.gz RYKIDCOZYVWBJG-OIISXLGYSA-N 2 0 330.432 1.120 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCC23CC(C2)C[NH2+]3)C[C@H](C)O1 ZINC000870873406 596385435 /nfs/dbraw/zinc/38/54/35/596385435.db2.gz CJHGYURCSHQFEK-XAZSACEBSA-N 2 0 335.492 1.619 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)ccc2oc1=O ZINC000870876069 596385958 /nfs/dbraw/zinc/38/59/58/596385958.db2.gz WEUFGSOFPJEHEO-SOZUMNATSA-N 2 0 344.415 1.222 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870921871 596406167 /nfs/dbraw/zinc/40/61/67/596406167.db2.gz XLVPNZSVVHVUJN-VBHSOAQHSA-N 2 0 330.432 1.643 20 0 EDADRP CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000870922737 596406641 /nfs/dbraw/zinc/40/66/41/596406641.db2.gz NEXZLKVYCGOBTA-AWEZNQCLSA-N 2 0 334.489 1.919 20 0 EDADRP O=C(CC[NH2+]CC1CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000870927473 596408385 /nfs/dbraw/zinc/40/83/85/596408385.db2.gz RRGZGMKWVAHOHE-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP COCOc1ccc(OC)cc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000119260314 596501397 /nfs/dbraw/zinc/50/13/97/596501397.db2.gz SFYPLBCHPINIKE-OAHLLOKOSA-N 2 0 337.464 1.403 20 0 EDADRP COCC[C@H](C[NH2+]CC1=CC[N@H+](C)CC1)NC(=O)OC(C)(C)C ZINC000865522241 596599399 /nfs/dbraw/zinc/59/93/99/596599399.db2.gz MDMIROJHDGEPQK-OAHLLOKOSA-N 2 0 327.469 1.768 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cn(C3CC3)cn2)(N2CCOCC2)CC1 ZINC000865602267 596624564 /nfs/dbraw/zinc/62/45/64/596624564.db2.gz SQLMHUYWHNDHBJ-UHFFFAOYSA-N 2 0 333.480 1.104 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000867964707 596637154 /nfs/dbraw/zinc/63/71/54/596637154.db2.gz RBURKNOYPRIBCS-ZKYQVNSYSA-N 2 0 340.265 1.953 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000867968917 596638209 /nfs/dbraw/zinc/63/82/09/596638209.db2.gz HVAMZRZFRNNIKL-NDMJEZRESA-N 2 0 326.238 1.645 20 0 EDADRP [NH3+]C[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C(F)(F)F ZINC000867984359 596644907 /nfs/dbraw/zinc/64/49/07/596644907.db2.gz WCBLQBCNEYZKDT-BDAKNGLRSA-N 2 0 340.143 1.455 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H](F)[C@H]3CC[NH2+]C3)n2)ccn1 ZINC000863664062 596649165 /nfs/dbraw/zinc/64/91/65/596649165.db2.gz QELLQEDITCELLZ-JSGCOSHPSA-N 2 0 335.383 1.692 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC000868156105 596704780 /nfs/dbraw/zinc/70/47/80/596704780.db2.gz VRQHSBCISSKAFX-GJZGRUSLSA-N 2 0 332.452 1.508 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\C2(C)CCOCC2)C[C@H]1C[NH+](C)C ZINC000870016848 596708951 /nfs/dbraw/zinc/70/89/51/596708951.db2.gz CSZFPTZRIVWSJQ-TZNMXKOXSA-N 2 0 337.508 1.557 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3ccccc3C2)C[C@H]1C[NH+](C)C ZINC000870017345 596709546 /nfs/dbraw/zinc/70/95/46/596709546.db2.gz LBZMMINDBZFRPC-VAMGGRTRSA-N 2 0 343.515 1.989 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnn2C(F)F)C[C@H]1C[NH+](C)C ZINC000870017104 596709608 /nfs/dbraw/zinc/70/96/08/596709608.db2.gz FPVAJTPFMVVMQW-VXGBXAGGSA-N 2 0 329.395 1.090 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@@H]21 ZINC000868171513 596710052 /nfs/dbraw/zinc/71/00/52/596710052.db2.gz AIEZUSXUESDCFC-HOCLYGCPSA-N 2 0 330.432 1.727 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2ccc(C(F)F)n2)C[C@H]1C[NH+](C)C ZINC000870018196 596710123 /nfs/dbraw/zinc/71/01/23/596710123.db2.gz WNRHEPCXYAMNFQ-CHWSQXEVSA-N 2 0 343.422 1.019 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2Cc3ccccc3C2)C[C@H]1C[NH+](C)C ZINC000870019455 596710690 /nfs/dbraw/zinc/71/06/90/596710690.db2.gz GDDFIINHRVFLSA-RTBURBONSA-N 2 0 329.488 1.599 20 0 EDADRP CCO[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000870020368 596711321 /nfs/dbraw/zinc/71/13/21/596711321.db2.gz OBOYPAJQRYLYLI-ZACQAIPSSA-N 2 0 327.513 1.635 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000870022276 596712548 /nfs/dbraw/zinc/71/25/48/596712548.db2.gz QJJMBIFTTGNFMW-ZACQAIPSSA-N 2 0 325.497 1.534 20 0 EDADRP CN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023197 596713181 /nfs/dbraw/zinc/71/31/81/596713181.db2.gz NMRJYHSXLQIGSK-IAGOWNOFSA-N 2 0 332.492 1.321 20 0 EDADRP Cc1cc(C)cc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024376 596713836 /nfs/dbraw/zinc/71/38/36/596713836.db2.gz AGDZLQGFOPTBFV-QZTJIDSGSA-N 2 0 347.503 1.880 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232675 596738109 /nfs/dbraw/zinc/73/81/09/596738109.db2.gz RNAKFPQNGMZDKV-JKSUJKDBSA-N 2 0 332.448 1.288 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nc(N)nc(C3CCCC3)n2)C[C@H]1C[NH+](C)C ZINC000866011301 596756996 /nfs/dbraw/zinc/75/69/96/596756996.db2.gz YOOPPGJTGTWQLT-HUUCEWRRSA-N 2 0 347.511 1.287 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH+](C)C ZINC000866041804 596769832 /nfs/dbraw/zinc/76/98/32/596769832.db2.gz ZQJLVCPNDKUZRY-ZIAGYGMSSA-N 2 0 348.447 1.618 20 0 EDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144908 596809910 /nfs/dbraw/zinc/80/99/10/596809910.db2.gz IGQGPOUUDJLFCV-OAGGEKHMSA-N 2 0 333.480 1.424 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@H]1C ZINC000872191030 596827941 /nfs/dbraw/zinc/82/79/41/596827941.db2.gz WRSXALNGSWDGMB-CVEARBPZSA-N 2 0 340.512 1.295 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000872256044 596856670 /nfs/dbraw/zinc/85/66/70/596856670.db2.gz KVNYTBWFMRIASK-IQUTYRLHSA-N 2 0 343.427 1.661 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCCSC2)C[C@H]1C[NH+](C)C ZINC000875584655 596906370 /nfs/dbraw/zinc/90/63/70/596906370.db2.gz IMKMPIAKXMIKOX-ARFHVFGLSA-N 2 0 342.553 1.510 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C(C)(C)C2(F)F)C[C@H]1C[NH+](C)C ZINC000875746953 596971130 /nfs/dbraw/zinc/97/11/30/596971130.db2.gz MSUAMOUYBYPSTR-MGPQQGTHSA-N 2 0 346.466 1.659 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC12CCC2 ZINC000872861990 597100581 /nfs/dbraw/zinc/10/05/81/597100581.db2.gz BOCPEPKGVDUGIN-KRWDZBQOSA-N 2 0 343.475 1.836 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000874830030 597188178 /nfs/dbraw/zinc/18/81/78/597188178.db2.gz PYXOXLHVOQZFAI-BRWVUGGUSA-N 2 0 337.533 1.899 20 0 EDADRP NC(=O)[C@H]1c2ccccc2CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208751 597227947 /nfs/dbraw/zinc/22/79/47/597227947.db2.gz UPKYDRHPQVKUSB-QGZVFWFLSA-N 2 0 327.453 1.979 20 0 EDADRP CC[C@@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[NH+](C)C ZINC000876520662 597228329 /nfs/dbraw/zinc/22/83/29/597228329.db2.gz MZKIRKCLNOOZEW-HOTGVXAUSA-N 2 0 333.432 1.874 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)c1 ZINC000876524970 597230082 /nfs/dbraw/zinc/23/00/82/597230082.db2.gz YLGLIODQESVKGM-UHFFFAOYSA-N 2 0 325.412 1.851 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)c2)nn1 ZINC000873215959 597230594 /nfs/dbraw/zinc/23/05/94/597230594.db2.gz HNTHNHVPODARKU-GBESFXJTSA-N 3 0 340.475 1.736 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+]C3CCC4(CC3)OCCO4)c2)nn1 ZINC000873244681 597238215 /nfs/dbraw/zinc/23/82/15/597238215.db2.gz UTHVDXTVBGFKDZ-UHFFFAOYSA-N 2 0 343.431 1.501 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[C@H]3CC[C@@H](C1)[NH2+]3)CCC2 ZINC000873261444 597241961 /nfs/dbraw/zinc/24/19/61/597241961.db2.gz ONNMXAAVDDIGTK-MJXUCMMTSA-N 2 0 349.500 1.832 20 0 EDADRP c1cc(CN2CCC([NH2+]C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)ccn1 ZINC000873292678 597249436 /nfs/dbraw/zinc/24/94/36/597249436.db2.gz URIPUWCGGAPOLV-LJQANCHMSA-N 2 0 344.503 1.794 20 0 EDADRP Cc1cccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000875054397 597262853 /nfs/dbraw/zinc/26/28/53/597262853.db2.gz QMNPPLFAGWHPPF-QZTJIDSGSA-N 2 0 332.492 1.876 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@H]1C ZINC000875071808 597269556 /nfs/dbraw/zinc/26/95/56/597269556.db2.gz NHAANGNOWSMGLK-PMPSAXMXSA-N 2 0 340.512 1.394 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000876720984 597304647 /nfs/dbraw/zinc/30/46/47/597304647.db2.gz ODDROIIIZYLHGV-GJZGRUSLSA-N 2 0 325.403 1.985 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2(COC)C[NH2+]CCO2)c1 ZINC000876724908 597306452 /nfs/dbraw/zinc/30/64/52/597306452.db2.gz BTSWXMJQPLKYJR-GOSISDBHSA-N 2 0 335.448 1.472 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000876728735 597309594 /nfs/dbraw/zinc/30/95/94/597309594.db2.gz UGQVCHVWDLYHCE-MRXNPFEDSA-N 2 0 331.464 1.284 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000876731282 597311264 /nfs/dbraw/zinc/31/12/64/597311264.db2.gz PONLFWWGESUFIX-CQSZACIVSA-N 2 0 336.505 1.989 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876739526 597315759 /nfs/dbraw/zinc/31/57/59/597315759.db2.gz JJRSVJSYBGGYLN-CABCVRRESA-N 2 0 332.448 1.889 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876746448 597319053 /nfs/dbraw/zinc/31/90/53/597319053.db2.gz XSJQWKGHAKSYNP-CYBMUJFWSA-N 2 0 333.354 1.400 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876755800 597323988 /nfs/dbraw/zinc/32/39/88/597323988.db2.gz XCKKJOYHQOTKIK-IRXDYDNUSA-N 2 0 333.476 1.659 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000876773453 597333916 /nfs/dbraw/zinc/33/39/16/597333916.db2.gz REZWHRRBBGRJHX-BXUZGUMPSA-N 2 0 340.265 1.907 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000876773076 597334119 /nfs/dbraw/zinc/33/41/19/597334119.db2.gz VWKBRVNXNRDQBQ-BZUAXINKSA-N 2 0 333.480 1.671 20 0 EDADRP CC1(C)[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000876775287 597335637 /nfs/dbraw/zinc/33/56/37/597335637.db2.gz SVUASSIYEFBPFI-HOTGVXAUSA-N 2 0 337.508 1.759 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876776762 597336331 /nfs/dbraw/zinc/33/63/31/597336331.db2.gz QKYDUWGGSOZNMU-MSOLQXFVSA-N 2 0 332.492 1.246 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876779316 597337765 /nfs/dbraw/zinc/33/77/65/597337765.db2.gz AQECIFSSIBPPSA-PBHICJAKSA-N 2 0 334.439 1.715 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876782452 597338400 /nfs/dbraw/zinc/33/84/00/597338400.db2.gz RKDZBNHKYQZLBC-AEFFLSMTSA-N 2 0 329.448 1.304 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000876889725 597371381 /nfs/dbraw/zinc/37/13/81/597371381.db2.gz PCPMQGCVPIIQNT-YLDLQSEOSA-N 2 0 349.519 1.749 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876897255 597375956 /nfs/dbraw/zinc/37/59/56/597375956.db2.gz IHZLBHIXVZMTFS-LJQANCHMSA-N 2 0 346.475 1.534 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000876940324 597391353 /nfs/dbraw/zinc/39/13/53/597391353.db2.gz RFBDVVZACJSJIR-INIZCTEOSA-N 2 0 333.480 1.530 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000876960822 597397306 /nfs/dbraw/zinc/39/73/06/597397306.db2.gz NQTCIUHUEFIZAV-FDYSRKEFSA-N 2 0 343.471 1.402 20 0 EDADRP CO[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000875357806 597397655 /nfs/dbraw/zinc/39/76/55/597397655.db2.gz QWJFOCMCJPDDGR-WCVJEAGWSA-N 2 0 340.512 1.181 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC2)CC1 ZINC000877191979 597457559 /nfs/dbraw/zinc/45/75/59/597457559.db2.gz GEYCKTRRSCBDNN-KRWDZBQOSA-N 2 0 345.491 1.756 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877206289 597462079 /nfs/dbraw/zinc/46/20/79/597462079.db2.gz GFJMFVBXDNHMBJ-INIZCTEOSA-N 2 0 342.447 1.120 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])(c2ccccc2)CC1 ZINC000877224905 597466954 /nfs/dbraw/zinc/46/69/54/597466954.db2.gz PAQIBJCKTAOYFY-SJORKVTESA-N 2 0 331.460 1.130 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000877231505 597470514 /nfs/dbraw/zinc/47/05/14/597470514.db2.gz MRQRNSNILVWHKX-SFHVURJKSA-N 2 0 345.487 1.831 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]3CCO[C@H]3C[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352083 597498704 /nfs/dbraw/zinc/49/87/04/597498704.db2.gz AUDIZFJTUDFSOE-CGBFIWBNSA-N 2 0 343.471 1.331 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000877355108 597499552 /nfs/dbraw/zinc/49/95/52/597499552.db2.gz GSXANYWBYQBJPU-MRVWCRGKSA-N 2 0 327.350 1.817 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877355709 597499865 /nfs/dbraw/zinc/49/98/65/597499865.db2.gz PCYOWZUDRDHJSG-RTXFEEFZSA-N 2 0 331.338 1.291 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1C(F)(F)F ZINC000877358343 597500533 /nfs/dbraw/zinc/50/05/33/597500533.db2.gz BMGOWJLZKGHOMM-SIGQOLJVSA-N 2 0 333.398 1.736 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2nc(Cl)cs2)(N2CCOCC2)CC1 ZINC000877588075 597539511 /nfs/dbraw/zinc/53/95/11/597539511.db2.gz VPZSYSWXRDNAKO-UHFFFAOYSA-N 2 0 344.912 1.683 20 0 EDADRP Cn1nc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000877669477 597546416 /nfs/dbraw/zinc/54/64/16/597546416.db2.gz LDEGJGUANXHVNF-HZPDHXFCSA-N 2 0 329.492 1.745 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C[NH+](C)C ZINC000877670365 597546585 /nfs/dbraw/zinc/54/65/85/597546585.db2.gz LFQPYIIDBYUUGM-HUUCEWRRSA-N 2 0 331.464 1.841 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cccc(S(N)(=O)=O)c1)CC2 ZINC000877684060 597547511 /nfs/dbraw/zinc/54/75/11/597547511.db2.gz OSBPLOLWXAODRC-UHFFFAOYSA-N 2 0 337.489 1.642 20 0 EDADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000877969543 597567133 /nfs/dbraw/zinc/56/71/33/597567133.db2.gz DTOCKZPUHGUVHW-QGZVFWFLSA-N 2 0 326.481 1.087 20 0 EDADRP C([C@H]1CC2(CO1)CCOCC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877970430 597567135 /nfs/dbraw/zinc/56/71/35/597567135.db2.gz OBICORATINPBFH-GOSISDBHSA-N 2 0 338.492 1.616 20 0 EDADRP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@H]2[C@H](CC[NH+]2C)C1 ZINC000879578500 597640810 /nfs/dbraw/zinc/64/08/10/597640810.db2.gz TXGKMNBOGZNOIJ-WAPOTWQKSA-N 2 0 334.552 1.817 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883225382 597689322 /nfs/dbraw/zinc/68/93/22/597689322.db2.gz FZXRVTOPNHAQCV-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(CCOCC2)O1 ZINC000883427270 597743270 /nfs/dbraw/zinc/74/32/70/597743270.db2.gz MTGPJRZFCKGJIM-HOTGVXAUSA-N 2 0 339.480 1.034 20 0 EDADRP Cc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000878907943 597752702 /nfs/dbraw/zinc/75/27/02/597752702.db2.gz HFCHQOZBQAINML-HZPDHXFCSA-N 2 0 333.480 1.902 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)c1c[nH]c2cc(F)ccc12 ZINC000878969601 597770182 /nfs/dbraw/zinc/77/01/82/597770182.db2.gz XWILETBAXLCZSK-UHFFFAOYSA-N 2 0 348.422 1.442 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)COC[C@@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880260502 597886275 /nfs/dbraw/zinc/88/62/75/597886275.db2.gz DBOHNVSKJOPFGZ-NJAFHUGGSA-N 2 0 335.448 1.149 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000879376995 597904487 /nfs/dbraw/zinc/90/44/87/597904487.db2.gz JHVWHIZQSQVLER-LLVKDONJSA-N 2 0 332.404 1.394 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880415332 597927155 /nfs/dbraw/zinc/92/71/55/597927155.db2.gz KBVKMZIUMPZBBI-QGZVFWFLSA-N 2 0 329.529 1.510 20 0 EDADRP CCOC(=O)CN(C)C(=O)C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568742 597966651 /nfs/dbraw/zinc/96/66/51/597966651.db2.gz FDDNMJUQZPBOSL-MRXNPFEDSA-N 2 0 344.415 1.236 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000884179087 598016498 /nfs/dbraw/zinc/01/64/98/598016498.db2.gz DTTSVCRZPXJEKM-HZPDHXFCSA-N 2 0 339.867 1.957 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884185099 598017777 /nfs/dbraw/zinc/01/77/77/598017777.db2.gz KZZOXPQIGKSPTB-MRXNPFEDSA-N 2 0 331.464 1.048 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884183684 598017969 /nfs/dbraw/zinc/01/79/69/598017969.db2.gz TYXHZVJNXGBOAH-IYBDPMFKSA-N 2 0 349.475 1.514 20 0 EDADRP CCOC(=O)c1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(C)n1 ZINC000882679159 598020702 /nfs/dbraw/zinc/02/07/02/598020702.db2.gz QPOKDNLSLRDOBQ-HUUCEWRRSA-N 2 0 349.479 1.137 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000884194024 598022806 /nfs/dbraw/zinc/02/28/06/598022806.db2.gz WZUYJXVMGMGGBR-CQSZACIVSA-N 2 0 325.522 1.710 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000884222012 598033948 /nfs/dbraw/zinc/03/39/48/598033948.db2.gz GATAMPQNQOTLOG-NVXWUHKLSA-N 2 0 349.475 1.366 20 0 EDADRP C[C@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019109 598053894 /nfs/dbraw/zinc/05/38/94/598053894.db2.gz GFPOKFOYACAFTH-LUXYFRNMSA-N 2 0 347.507 1.273 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328297 598069206 /nfs/dbraw/zinc/06/92/06/598069206.db2.gz NMJRVYGCRNQMEC-NVXWUHKLSA-N 2 0 331.460 1.841 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000884524404 598127487 /nfs/dbraw/zinc/12/74/87/598127487.db2.gz XCLJQWXZTMJNRX-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000914075980 695071676 /nfs/dbraw/zinc/07/16/76/695071676.db2.gz MYBQQYJUIBMHLN-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031857007 700008131 /nfs/dbraw/zinc/00/81/31/700008131.db2.gz OQPOQJXPIMENLE-URSIVYNOSA-N 2 0 335.492 1.334 20 0 EDADRP C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000925412770 695560859 /nfs/dbraw/zinc/56/08/59/695560859.db2.gz XRXRJVKWBQLHNP-WMZOPIPTSA-N 2 0 330.476 1.997 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993365172 696013266 /nfs/dbraw/zinc/01/32/66/696013266.db2.gz LLAYPNGPLFWDDM-CVEARBPZSA-N 2 0 335.496 1.683 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1cncn1C ZINC000993927344 696447024 /nfs/dbraw/zinc/44/70/24/696447024.db2.gz LQXTUYBUVFRSOT-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@H]1C ZINC000948064415 696598570 /nfs/dbraw/zinc/59/85/70/696598570.db2.gz CDVBWPUWANAXDR-NVXWUHKLSA-N 2 0 333.476 1.977 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000916578087 696682851 /nfs/dbraw/zinc/68/28/51/696682851.db2.gz TVJQXOXVHYWMHQ-MRXNPFEDSA-N 2 0 345.491 1.902 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)n1 ZINC000994406006 696829549 /nfs/dbraw/zinc/82/95/49/696829549.db2.gz JYNOXXKCGXAKJX-ZWKOTPCHSA-N 2 0 347.507 1.565 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCC[N@@H+]1CCCO ZINC000994493472 696933784 /nfs/dbraw/zinc/93/37/84/696933784.db2.gz DGLXBBJBWXTVQR-QAPCUYQASA-N 2 0 333.476 1.713 20 0 EDADRP C[C@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1CCOc1ccccc1 ZINC000994505729 696949298 /nfs/dbraw/zinc/94/92/98/696949298.db2.gz KIMRVYFWTCLBIW-FUHWJXTLSA-N 2 0 342.443 1.931 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)O)CC2)[NH+](C)C ZINC001040835732 697232854 /nfs/dbraw/zinc/23/28/54/697232854.db2.gz NXNFGLOGKWCOEM-HZPDHXFCSA-N 2 0 325.497 1.268 20 0 EDADRP CN1CCO[C@@H](C(=O)NCC2C[NH+](Cc3ccccc3C3CC3)C2)C1 ZINC001031596141 697295468 /nfs/dbraw/zinc/29/54/68/697295468.db2.gz HFTQVCUQQFPWEY-LJQANCHMSA-N 2 0 343.471 1.443 20 0 EDADRP C[NH+]1CCC(NC(=S)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)CC1 ZINC000920309648 697419489 /nfs/dbraw/zinc/41/94/89/697419489.db2.gz JKJXRXMCALPFFC-INIZCTEOSA-N 2 0 340.537 1.142 20 0 EDADRP C[C@H](F)CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001031686674 697517262 /nfs/dbraw/zinc/51/72/62/697517262.db2.gz RYPVCXKLCSTURM-LRDDRELGSA-N 2 0 337.443 1.586 20 0 EDADRP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001031688240 697522678 /nfs/dbraw/zinc/52/26/78/697522678.db2.gz BCSRMMRPJXJGFK-IRXDYDNUSA-N 2 0 335.492 1.334 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000921181580 697525811 /nfs/dbraw/zinc/52/58/11/697525811.db2.gz RVIKINWEMHUBKO-HUUCEWRRSA-N 2 0 328.526 1.597 20 0 EDADRP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031689342 697531012 /nfs/dbraw/zinc/53/10/12/697531012.db2.gz TXDKJHMRVIRNCZ-MSOLQXFVSA-N 2 0 333.476 1.398 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940110293 700223872 /nfs/dbraw/zinc/22/38/72/700223872.db2.gz WBGXORIKQQBTTF-INIZCTEOSA-N 2 0 347.507 1.764 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000940111729 700226102 /nfs/dbraw/zinc/22/61/02/700226102.db2.gz NYOGQJVDIBIDKY-GDBMZVCRSA-N 2 0 347.463 1.415 20 0 EDADRP C#CC[NH+](CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C1CCCCC1 ZINC000068334493 698507030 /nfs/dbraw/zinc/50/70/30/698507030.db2.gz JGITWJGKEIOEKA-IBGZPJMESA-N 2 0 349.519 1.727 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000940117426 700249999 /nfs/dbraw/zinc/24/99/99/700249999.db2.gz RYVZYABAMZYKIC-CZUORRHYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1 ZINC000940120326 700253657 /nfs/dbraw/zinc/25/36/57/700253657.db2.gz NAGFLBZSEUMIRF-HZPDHXFCSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939064181 699131373 /nfs/dbraw/zinc/13/13/73/699131373.db2.gz RWBLHYXFKWLAAF-BEFAXECRSA-N 2 0 345.487 1.457 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1NCc1nncs1 ZINC000939137577 699224809 /nfs/dbraw/zinc/22/48/09/699224809.db2.gz KNHAMSDELCDFMM-STQMWFEESA-N 2 0 337.493 1.207 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@@H]1[NH2+]CC1CCC1 ZINC000939294168 699481334 /nfs/dbraw/zinc/48/13/34/699481334.db2.gz YQPXPQYOFXKCQF-PBHICJAKSA-N 2 0 333.480 1.295 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)n1 ZINC000994937606 699521706 /nfs/dbraw/zinc/52/17/06/699521706.db2.gz FJMPNEJLNNFFRC-IAGOWNOFSA-N 2 0 347.507 1.733 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ncccc2C)C1 ZINC000939622890 699760164 /nfs/dbraw/zinc/76/01/64/699760164.db2.gz PDNPMIIEDIMFRD-SUMWQHHRSA-N 2 0 327.432 1.601 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941676881 701615574 /nfs/dbraw/zinc/61/55/74/701615574.db2.gz GKRUPDYGPLJSET-IYBDPMFKSA-N 2 0 334.508 1.098 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000995003606 699888385 /nfs/dbraw/zinc/88/83/85/699888385.db2.gz BRERRNGMWFGLET-RDJZCZTQSA-N 2 0 345.491 1.423 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939753003 699902355 /nfs/dbraw/zinc/90/23/55/699902355.db2.gz CGLBQMGOUQXCIP-GUYCJALGSA-N 2 0 337.414 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939754146 699904186 /nfs/dbraw/zinc/90/41/86/699904186.db2.gz LJSMPQXNOTUZMN-CRAIPNDOSA-N 2 0 333.451 1.901 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000939754319 699904596 /nfs/dbraw/zinc/90/45/96/699904596.db2.gz MHOYHWOOCNYGFG-MAUKXSAKSA-N 2 0 331.460 1.728 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995012120 699953421 /nfs/dbraw/zinc/95/34/21/699953421.db2.gz DSERHOXAJMJWFW-JKSUJKDBSA-N 2 0 346.475 1.986 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939809891 699958306 /nfs/dbraw/zinc/95/83/06/699958306.db2.gz KIKYNZSBPFFBME-HOCLYGCPSA-N 2 0 336.505 1.956 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940179075 700312714 /nfs/dbraw/zinc/31/27/14/700312714.db2.gz QRYGYXBGAHOIEC-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)o1 ZINC000995166721 701631551 /nfs/dbraw/zinc/63/15/51/701631551.db2.gz HNOWZDFRKZEWAS-CVEARBPZSA-N 2 0 346.475 1.762 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001031875373 700352937 /nfs/dbraw/zinc/35/29/37/700352937.db2.gz PHIBQZPYNUCDCA-SFHVURJKSA-N 2 0 347.503 1.877 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000940282056 700470737 /nfs/dbraw/zinc/47/07/37/700470737.db2.gz FWOKTESLWINKOV-HOTGVXAUSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940329528 700508881 /nfs/dbraw/zinc/50/88/81/700508881.db2.gz VEECTIMIDMIRHA-GXTWGEPZSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940329666 700509092 /nfs/dbraw/zinc/50/90/92/700509092.db2.gz WIJLAIBZQSNQDN-CQSZACIVSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329622 700509103 /nfs/dbraw/zinc/50/91/03/700509103.db2.gz WDQXNVQHRRZMSM-CABCVRRESA-N 2 0 331.464 1.145 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940329882 700509458 /nfs/dbraw/zinc/50/94/58/700509458.db2.gz ZEFUMMKYZOGIBG-OAHLLOKOSA-N 2 0 345.491 1.740 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)CC1 ZINC000940365198 700546160 /nfs/dbraw/zinc/54/61/60/700546160.db2.gz FPPWMSVGPITPCY-UHFFFAOYSA-N 2 0 335.452 1.272 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000940373130 700555909 /nfs/dbraw/zinc/55/59/09/700555909.db2.gz FDALFWUXHPRWTC-CVEARBPZSA-N 2 0 347.463 1.557 20 0 EDADRP CCn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000995076722 700651926 /nfs/dbraw/zinc/65/19/26/700651926.db2.gz FMKLIXPFYLEDAM-GDBMZVCRSA-N 2 0 348.495 1.014 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472391 700657688 /nfs/dbraw/zinc/65/76/88/700657688.db2.gz VMZHFMZQXBOONA-GJZGRUSLSA-N 2 0 348.495 1.159 20 0 EDADRP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472403 700657875 /nfs/dbraw/zinc/65/78/75/700657875.db2.gz VSLOCAVMZPRTGT-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000940472372 700657884 /nfs/dbraw/zinc/65/78/84/700657884.db2.gz UVEIICYHNFOJAX-OKILXGFUSA-N 2 0 349.479 1.722 20 0 EDADRP CCc1noc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457440 700660790 /nfs/dbraw/zinc/66/07/90/700660790.db2.gz FZPCTDCHBDMJDN-CYBMUJFWSA-N 2 0 335.452 1.054 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457730 700661536 /nfs/dbraw/zinc/66/15/36/700661536.db2.gz ROVYCWFDKCLAPH-INIZCTEOSA-N 2 0 347.507 1.886 20 0 EDADRP CC(C)n1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000940461764 700664924 /nfs/dbraw/zinc/66/49/24/700664924.db2.gz JQMBJZIUNSRDGH-HNNXBMFYSA-N 2 0 348.495 1.281 20 0 EDADRP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940461953 700665446 /nfs/dbraw/zinc/66/54/46/700665446.db2.gz SREBINQYGCIUEL-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995078701 700671740 /nfs/dbraw/zinc/67/17/40/700671740.db2.gz LGYNPHUMFVQOTP-HOCLYGCPSA-N 2 0 331.464 1.193 20 0 EDADRP CC1(C)C[N@H+](CCCF)CC[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000940745738 700872184 /nfs/dbraw/zinc/87/21/84/700872184.db2.gz TXCWPZGZOLLCTC-JKSUJKDBSA-N 2 0 325.472 1.905 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCCC1 ZINC000940746856 700873004 /nfs/dbraw/zinc/87/30/04/700873004.db2.gz CIHZAVCNXHZMQP-MRXNPFEDSA-N 2 0 339.524 1.850 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940798526 700916296 /nfs/dbraw/zinc/91/62/96/700916296.db2.gz IBPHQUIMGUFXBX-HOTGVXAUSA-N 2 0 325.497 1.173 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940830971 700930690 /nfs/dbraw/zinc/93/06/90/700930690.db2.gz BAFWZBQFONVNKL-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863902 700946206 /nfs/dbraw/zinc/94/62/06/700946206.db2.gz HKWZXPUJSLVDNC-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H](C)C2)o1 ZINC000945806354 701196245 /nfs/dbraw/zinc/19/62/45/701196245.db2.gz CXNZRQGTMTWZFA-DOMZBBRYSA-N 2 0 331.420 1.515 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218191 701408836 /nfs/dbraw/zinc/40/88/36/701408836.db2.gz WZAPCQWKUQEYGP-CVEARBPZSA-N 2 0 333.480 1.089 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221032 701411480 /nfs/dbraw/zinc/41/14/80/701411480.db2.gz KNYGFMGQKLBMAY-MRXNPFEDSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)Cn3ccnc3C)C(C)(C)C2)o1 ZINC000941224505 701414531 /nfs/dbraw/zinc/41/45/31/701414531.db2.gz WILAJUQSKDZGLB-INIZCTEOSA-N 2 0 345.447 1.905 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000941345316 701480872 /nfs/dbraw/zinc/48/08/72/701480872.db2.gz RMYIFBAYRLVWJR-SFHVURJKSA-N 2 0 348.535 1.345 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999177359 706619780 /nfs/dbraw/zinc/61/97/80/706619780.db2.gz XZPVDHSHYDVZRF-HOCLYGCPSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190818 706633577 /nfs/dbraw/zinc/63/35/77/706633577.db2.gz UKXYDTPNTSSLAW-QLFBSQMISA-N 2 0 336.505 1.872 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000999191377 706633989 /nfs/dbraw/zinc/63/39/89/706633989.db2.gz XYVCMJKHCUGHHZ-IIDMSEBBSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031977539 702023973 /nfs/dbraw/zinc/02/39/73/702023973.db2.gz CQPITPPVYRGGJU-KDOFPFPSSA-N 2 0 333.451 1.880 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cncs1 ZINC000995822303 702091651 /nfs/dbraw/zinc/09/16/51/702091651.db2.gz JZNMEXQAJZFDKO-JKSUJKDBSA-N 2 0 348.516 1.812 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995825532 702097247 /nfs/dbraw/zinc/09/72/47/702097247.db2.gz NURQLPCCPLMVJT-FRFSOERESA-N 2 0 348.491 1.904 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001032207382 702184999 /nfs/dbraw/zinc/18/49/99/702184999.db2.gz OZADFOJNBWJHAH-BEFAXECRSA-N 2 0 345.487 1.977 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995891205 702233422 /nfs/dbraw/zinc/23/34/22/702233422.db2.gz CSXAVZKWHDXIBJ-IAGOWNOFSA-N 2 0 348.491 1.958 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995916852 702278267 /nfs/dbraw/zinc/27/82/67/702278267.db2.gz KSJGSUAXYKOCSI-KRWDZBQOSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995916751 702278295 /nfs/dbraw/zinc/27/82/95/702278295.db2.gz JWCMJWDGSWLWHJ-QGZVFWFLSA-N 2 0 347.507 1.539 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001015929922 702319969 /nfs/dbraw/zinc/31/99/69/702319969.db2.gz FMXWCJUVWCZDNP-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995982848 702342462 /nfs/dbraw/zinc/34/24/62/702342462.db2.gz QEKIHHATTJIHLI-KBPBESRZSA-N 2 0 335.452 1.189 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995973024 702358240 /nfs/dbraw/zinc/35/82/40/702358240.db2.gz FQZAHLIQWNGPIP-KBPBESRZSA-N 2 0 337.493 1.349 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000996243103 702647143 /nfs/dbraw/zinc/64/71/43/702647143.db2.gz CCNHZAVLJPPKTO-JKSUJKDBSA-N 2 0 335.496 1.333 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293003 702685028 /nfs/dbraw/zinc/68/50/28/702685028.db2.gz AEFCBTRPPDQPIA-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996300425 702691840 /nfs/dbraw/zinc/69/18/40/702691840.db2.gz MEBGOKYWUPLJJG-CJNGLKHVSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996301976 702694160 /nfs/dbraw/zinc/69/41/60/702694160.db2.gz VRKJZXFJNQVFGX-NVXWUHKLSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213438 702711623 /nfs/dbraw/zinc/71/16/23/702711623.db2.gz QGXYZZLJXFRCKW-RDJZCZTQSA-N 2 0 333.480 1.199 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC000995214039 702715949 /nfs/dbraw/zinc/71/59/49/702715949.db2.gz RBEFJDMIRSEJSG-UONOGXRCSA-N 2 0 336.436 1.154 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnc[nH]3)CC2(C)C)n1 ZINC000996354893 702732449 /nfs/dbraw/zinc/73/24/49/702732449.db2.gz IWWUQKNOBIVUSR-MRXNPFEDSA-N 2 0 344.463 1.756 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256970 702748123 /nfs/dbraw/zinc/74/81/23/702748123.db2.gz IVBXYEWEDHYQOI-DLBZAZTESA-N 2 0 345.491 1.338 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCOC)CC2 ZINC001040952972 702779177 /nfs/dbraw/zinc/77/91/77/702779177.db2.gz HJQWBSBPSDHVKX-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996611308 702916543 /nfs/dbraw/zinc/91/65/43/702916543.db2.gz LXUCPHLJJPGENK-SFHVURJKSA-N 2 0 345.487 1.601 20 0 EDADRP CCc1nnc(CN[C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996613520 702918785 /nfs/dbraw/zinc/91/87/85/702918785.db2.gz VBAMEVWMUJYUBA-ZDUSSCGKSA-N 2 0 335.452 1.054 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996616870 702924178 /nfs/dbraw/zinc/92/41/78/702924178.db2.gz UQKFWTRZHLJUSI-IAGOWNOFSA-N 2 0 347.507 1.278 20 0 EDADRP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000996618353 702925070 /nfs/dbraw/zinc/92/50/70/702925070.db2.gz FLFWVMOXAMRKJI-ROUUACIJSA-N 2 0 349.519 1.866 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623060 702928325 /nfs/dbraw/zinc/92/83/25/702928325.db2.gz UZOUCYYDFJSWQX-MSOLQXFVSA-N 2 0 344.459 1.025 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC000996659956 702957145 /nfs/dbraw/zinc/95/71/45/702957145.db2.gz HHBYNTKKDVGBPT-QGZVFWFLSA-N 2 0 348.495 1.253 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC000996666464 702963109 /nfs/dbraw/zinc/96/31/09/702963109.db2.gz QPEDVNFIAOWTLL-ZDUSSCGKSA-N 2 0 349.479 1.758 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669519 702971076 /nfs/dbraw/zinc/97/10/76/702971076.db2.gz GPIVLIUXCZONJY-DLBZAZTESA-N 2 0 347.507 1.621 20 0 EDADRP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000996671803 702972971 /nfs/dbraw/zinc/97/29/71/702972971.db2.gz NHUTXGDTTMPBGM-KRWDZBQOSA-N 2 0 347.507 1.586 20 0 EDADRP Cc1ccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001032315118 702973722 /nfs/dbraw/zinc/97/37/22/702973722.db2.gz AWWYHNRSUVFADW-JENIJYKNSA-N 2 0 343.471 1.753 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996679029 702977758 /nfs/dbraw/zinc/97/77/58/702977758.db2.gz POKKHTMANYPQNY-QGZVFWFLSA-N 2 0 331.464 1.206 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996691978 702988589 /nfs/dbraw/zinc/98/85/89/702988589.db2.gz UTBRODHHMBRYJB-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000996692489 702989762 /nfs/dbraw/zinc/98/97/62/702989762.db2.gz NFXGQDLRJLJWFF-RDJZCZTQSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000996694896 702991720 /nfs/dbraw/zinc/99/17/20/702991720.db2.gz JJMGSLZLZXKOQT-KRWDZBQOSA-N 2 0 333.480 1.452 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(OC)ns2)CC1)[NH+](C)C ZINC000996710398 703003004 /nfs/dbraw/zinc/00/30/04/703003004.db2.gz CYEHCGNWMUKNBO-CQSZACIVSA-N 2 0 340.493 1.573 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nn(CC)nc2C)CC1)[NH+](C)C ZINC000996710874 703005597 /nfs/dbraw/zinc/00/55/97/703005597.db2.gz GOGKOMXYCHDILN-MRXNPFEDSA-N 2 0 336.484 1.027 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000996718341 703012340 /nfs/dbraw/zinc/01/23/40/703012340.db2.gz NMDAJLHFUDIMLJ-WMZOPIPTSA-N 2 0 345.491 1.518 20 0 EDADRP Cc1cncn1CC(=O)N[C@@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1C ZINC000942518343 703013325 /nfs/dbraw/zinc/01/33/25/703013325.db2.gz QNMHIDJDIGNDNR-SUMWQHHRSA-N 2 0 344.463 1.260 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996727141 703021902 /nfs/dbraw/zinc/02/19/02/703021902.db2.gz DTSZPUFOFGMDMP-INIZCTEOSA-N 2 0 348.495 1.424 20 0 EDADRP COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996727136 703022123 /nfs/dbraw/zinc/02/21/23/703022123.db2.gz DSGZBGMGGIZXRG-INIZCTEOSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)[nH]1 ZINC000996727572 703022562 /nfs/dbraw/zinc/02/25/62/703022562.db2.gz LVOVNWUNJPVZEV-UHFFFAOYSA-N 2 0 346.479 1.070 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942530224 703031295 /nfs/dbraw/zinc/03/12/95/703031295.db2.gz PYPUTSPPGQFRQJ-VQIMIIECSA-N 2 0 347.503 1.613 20 0 EDADRP O=C(N1CCC([NH2+]CC2CCOCC2)CC1)C12CCC[NH+]1CCC2 ZINC000996767634 703058967 /nfs/dbraw/zinc/05/89/67/703058967.db2.gz PZMDATRGKZCIPW-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558586 703063112 /nfs/dbraw/zinc/06/31/12/703063112.db2.gz YSINGMLYRRGNHZ-SJORKVTESA-N 2 0 347.507 1.584 20 0 EDADRP CCN1CC[NH+](C2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)CC1 ZINC000996775176 703067447 /nfs/dbraw/zinc/06/74/47/703067447.db2.gz DSZDRSXUJCZTCD-ACBHZAAOSA-N 2 0 348.535 1.393 20 0 EDADRP CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000996789978 703082485 /nfs/dbraw/zinc/08/24/85/703082485.db2.gz TXMHOBBGKGPXND-AOCRQIFASA-N 2 0 336.524 1.536 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CCn3ccnc3)CC2)ncn1 ZINC000996860661 703143916 /nfs/dbraw/zinc/14/39/16/703143916.db2.gz TVQSOZACOJYGJA-UHFFFAOYSA-N 2 0 328.420 1.152 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042742 703206086 /nfs/dbraw/zinc/20/60/86/703206086.db2.gz IPIGMONLRVSZKA-RDJZCZTQSA-N 2 0 348.516 1.751 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996998341 703255328 /nfs/dbraw/zinc/25/53/28/703255328.db2.gz IKDOGCOFASIGPK-AWEZNQCLSA-N 2 0 336.505 1.751 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)c1ncccn1 ZINC000996999006 703255832 /nfs/dbraw/zinc/25/58/32/703255832.db2.gz LLGVOIQAIHRVPB-HNNXBMFYSA-N 2 0 345.491 1.850 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996996936 703260416 /nfs/dbraw/zinc/26/04/16/703260416.db2.gz CDDMRDOULBCWDX-HNNXBMFYSA-N 2 0 333.480 1.028 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997006338 703263299 /nfs/dbraw/zinc/26/32/99/703263299.db2.gz KZCMIBBKDAHSGB-CYBMUJFWSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1csnn1 ZINC000997006221 703263555 /nfs/dbraw/zinc/26/35/55/703263555.db2.gz KINGJDSWQZJCNG-OLZOCXBDSA-N 2 0 337.493 1.522 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)ccn1 ZINC000997010687 703271028 /nfs/dbraw/zinc/27/10/28/703271028.db2.gz TUCFAHIVPOZHCZ-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997012544 703272330 /nfs/dbraw/zinc/27/23/30/703272330.db2.gz XRQQEMPDULLUBB-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nc3c(o2)CCCC3)CC1)[NH+](C)C ZINC000997016865 703275474 /nfs/dbraw/zinc/27/54/74/703275474.db2.gz YJFOWVYGBQOBSD-INIZCTEOSA-N 2 0 348.491 1.974 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997181514 703466287 /nfs/dbraw/zinc/46/62/87/703466287.db2.gz BCPGHINHSYSVCK-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997187126 703476602 /nfs/dbraw/zinc/47/66/02/703476602.db2.gz WPVMOFZXELWBOP-VQIMIIECSA-N 2 0 345.487 1.642 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000997195904 703493337 /nfs/dbraw/zinc/49/33/37/703493337.db2.gz ZELQQINHWUPDPV-GFCCVEGCSA-N 2 0 349.504 1.584 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000997261871 703540638 /nfs/dbraw/zinc/54/06/38/703540638.db2.gz UQTHKDKBCDPERE-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997304919 703564295 /nfs/dbraw/zinc/56/42/95/703564295.db2.gz XYROAVDGPRUMGT-CQSZACIVSA-N 2 0 336.505 1.526 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997363415 703597168 /nfs/dbraw/zinc/59/71/68/703597168.db2.gz FQOGBUFWFVJFGD-UHFFFAOYSA-N 2 0 347.507 1.860 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997366194 703599687 /nfs/dbraw/zinc/59/96/87/703599687.db2.gz ZDTAWEFUASMMPN-UHFFFAOYSA-N 2 0 348.495 1.255 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000997366700 703600332 /nfs/dbraw/zinc/60/03/32/703600332.db2.gz JTPBUHZUVIDQJA-GOEBONIOSA-N 2 0 348.495 1.331 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000997419951 703669875 /nfs/dbraw/zinc/66/98/75/703669875.db2.gz FIZGBKVFTDZMSH-RHSMWYFYSA-N 2 0 348.466 1.889 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997615482 703914897 /nfs/dbraw/zinc/91/48/97/703914897.db2.gz XGZGUXDXXHOWSX-RDJZCZTQSA-N 2 0 325.497 1.460 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)OC ZINC001004209357 703951553 /nfs/dbraw/zinc/95/15/53/703951553.db2.gz SQVKCURSGIQGCN-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)ncn1 ZINC000995550931 703954966 /nfs/dbraw/zinc/95/49/66/703954966.db2.gz KRMVTUUAZWKIPA-HOTGVXAUSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995554463 703970249 /nfs/dbraw/zinc/97/02/49/703970249.db2.gz WZOJCNMCZFWLBJ-KGLIPLIRSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999291339 706786367 /nfs/dbraw/zinc/78/63/67/706786367.db2.gz AOCMVXXMUHNZIY-MARRMLSSSA-N 2 0 347.507 1.538 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033080190 704145509 /nfs/dbraw/zinc/14/55/09/704145509.db2.gz FDVFXERSGMJNNJ-FUHWJXTLSA-N 2 0 335.492 1.430 20 0 EDADRP CCn1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)nn1 ZINC000999303544 706796949 /nfs/dbraw/zinc/79/69/49/706796949.db2.gz NWNDPWHBEJJLOL-JPQBHMHHSA-N 2 0 348.495 1.107 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999309653 706812572 /nfs/dbraw/zinc/81/25/72/706812572.db2.gz VJMCYFRDJBQABV-WMZOPIPTSA-N 2 0 347.507 1.418 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000922851905 704438670 /nfs/dbraw/zinc/43/86/70/704438670.db2.gz CHQGMEYZFNBOHW-OAGGEKHMSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538931 704592496 /nfs/dbraw/zinc/59/24/96/704592496.db2.gz YZBQYFGKLNAETH-PVAVHDDUSA-N 2 0 331.460 1.070 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000997708289 704599533 /nfs/dbraw/zinc/59/95/33/704599533.db2.gz OOZJIBIXDJYXGT-RYQLBKOJSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997820884 704739407 /nfs/dbraw/zinc/73/94/07/704739407.db2.gz KGUDHPTZGFNTAN-KRWDZBQOSA-N 2 0 348.495 1.018 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1ncccn1 ZINC000997822764 704742429 /nfs/dbraw/zinc/74/24/29/704742429.db2.gz GKXLZXRLGSNCEG-HNNXBMFYSA-N 2 0 345.491 1.850 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CC1 ZINC000997824499 704744024 /nfs/dbraw/zinc/74/40/24/704744024.db2.gz SZHBSXCZUQWBQR-SFHVURJKSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918446 704769602 /nfs/dbraw/zinc/76/96/02/704769602.db2.gz JCBXWTUIZYOTMJ-LPHOPBHVSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918447 704769717 /nfs/dbraw/zinc/76/97/17/704769717.db2.gz JCBXWTUIZYOTMJ-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997860760 704771322 /nfs/dbraw/zinc/77/13/22/704771322.db2.gz CUFNEHIXFSWVSE-BBRMVZONSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997866319 704772892 /nfs/dbraw/zinc/77/28/92/704772892.db2.gz RZYGLBPVBNVOEQ-GOSISDBHSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000997865840 704773016 /nfs/dbraw/zinc/77/30/16/704773016.db2.gz ITHRIARMMCAULL-GOEBONIOSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997869181 704774817 /nfs/dbraw/zinc/77/48/17/704774817.db2.gz ZCVVWFWXHMAPGD-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)ccn1 ZINC000944945551 704798672 /nfs/dbraw/zinc/79/86/72/704798672.db2.gz SBYYNLLIMNHUJY-DOTOQJQBSA-N 2 0 346.475 1.513 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997932342 705041687 /nfs/dbraw/zinc/04/16/87/705041687.db2.gz VKZIRJWBQPLMSR-TVRKMHQQSA-N 2 0 333.476 1.088 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001032587223 705104823 /nfs/dbraw/zinc/10/48/23/705104823.db2.gz QBUIJQPNDQZNOB-PJVZLEMVSA-N 2 0 349.519 1.819 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCOC2)CC[N@@H+]1C ZINC001032587358 705113101 /nfs/dbraw/zinc/11/31/01/705113101.db2.gz VVABSABIFQHFGG-ADHGMGHFSA-N 2 0 335.492 1.428 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)CC1 ZINC000998027061 705214232 /nfs/dbraw/zinc/21/42/32/705214232.db2.gz FMPOJVCKICWJCX-UHFFFAOYSA-N 2 0 336.505 1.813 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998079466 705297563 /nfs/dbraw/zinc/29/75/63/705297563.db2.gz PFPZYHPCXZTVOY-KDOFPFPSSA-N 2 0 347.507 1.254 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998082088 705308613 /nfs/dbraw/zinc/30/86/13/705308613.db2.gz NNHQOZQBZLFGDJ-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC000998137348 705402170 /nfs/dbraw/zinc/40/21/70/705402170.db2.gz RXOWQDPPDNEVSB-UHFFFAOYSA-N 2 0 349.479 1.438 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998217650 705540414 /nfs/dbraw/zinc/54/04/14/705540414.db2.gz PLDHUYBULIXFJF-INIZCTEOSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000998221890 705548053 /nfs/dbraw/zinc/54/80/53/705548053.db2.gz JCMXIEKYGCLSJJ-UHFFFAOYSA-N 2 0 332.448 1.407 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998286132 705681465 /nfs/dbraw/zinc/68/14/65/705681465.db2.gz GGLDSSUPHYWCKD-UHFFFAOYSA-N 2 0 345.491 1.681 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000998288008 705683200 /nfs/dbraw/zinc/68/32/00/705683200.db2.gz SCQHIKYLOCZAFH-HUUCEWRRSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000998298431 705701744 /nfs/dbraw/zinc/70/17/44/705701744.db2.gz XXIYRAQHOGHDJJ-GFCCVEGCSA-N 2 0 332.408 1.164 20 0 EDADRP O=C(N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC000998299444 705703629 /nfs/dbraw/zinc/70/36/29/705703629.db2.gz COFBTYQZGDHWKL-ZIAGYGMSSA-N 2 0 345.409 1.861 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCCO2)C1 ZINC001032629477 705752021 /nfs/dbraw/zinc/75/20/21/705752021.db2.gz YHIKGQTVIYLQMA-ULQDDVLXSA-N 2 0 335.492 1.573 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998547954 705982587 /nfs/dbraw/zinc/98/25/87/705982587.db2.gz CXOIJWNIVYNEER-YMAMQOFZSA-N 2 0 336.867 1.908 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)c(C)s1 ZINC000998719041 706150830 /nfs/dbraw/zinc/15/08/30/706150830.db2.gz DZDHUTDGYKWMTQ-HOCLYGCPSA-N 2 0 336.505 1.935 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000998725735 706160452 /nfs/dbraw/zinc/16/04/52/706160452.db2.gz XWNJNVRRBAWXOT-JKSUJKDBSA-N 2 0 332.448 1.265 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998732346 706165096 /nfs/dbraw/zinc/16/50/96/706165096.db2.gz RSAVQSWPUDFNEZ-DLBZAZTESA-N 2 0 333.480 1.175 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000998780571 706221500 /nfs/dbraw/zinc/22/15/00/706221500.db2.gz QCZSVAJWUDFPKG-VJFUWPCTSA-N 2 0 343.475 1.206 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC000998780279 706221553 /nfs/dbraw/zinc/22/15/53/706221553.db2.gz MHWHPMXUFBPJJP-CTWPCTMYSA-N 2 0 342.487 1.811 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999036007 706451084 /nfs/dbraw/zinc/45/10/84/706451084.db2.gz PTCJAQQUXQILNF-GPANFISMSA-N 2 0 348.495 1.015 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@H+]3CC(C)C)C2)[nH]1 ZINC000999035998 706451214 /nfs/dbraw/zinc/45/12/14/706451214.db2.gz PSZSRHUUBQLGMZ-GPANFISMSA-N 2 0 348.495 1.313 20 0 EDADRP Cc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518148 706550731 /nfs/dbraw/zinc/55/07/31/706550731.db2.gz OQERZOIVNGLGGD-JZXOWHBKSA-N 2 0 346.475 1.748 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999146084 706559974 /nfs/dbraw/zinc/55/99/74/706559974.db2.gz UWKWGBGMXMIHDU-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)ccn1 ZINC000999343713 706855365 /nfs/dbraw/zinc/85/53/65/706855365.db2.gz QWLUWZMIYBFRBI-UHFFFAOYSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999347273 706859023 /nfs/dbraw/zinc/85/90/23/706859023.db2.gz IFXBRGMCSORZDW-CYBMUJFWSA-N 2 0 337.493 1.411 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999374853 706869131 /nfs/dbraw/zinc/86/91/31/706869131.db2.gz SCBSYZQKSWEZNM-ZWKOTPCHSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999379553 706873435 /nfs/dbraw/zinc/87/34/35/706873435.db2.gz ZHYRUZIWWQKKPJ-ROUUACIJSA-N 2 0 347.507 1.421 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999363420 706876850 /nfs/dbraw/zinc/87/68/50/706876850.db2.gz HJEUYGMYORDGRT-QGZVFWFLSA-N 2 0 330.476 1.955 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1)[NH+](C)C ZINC000999419757 706914343 /nfs/dbraw/zinc/91/43/43/706914343.db2.gz FXZZSCIGWVIKPQ-IRXDYDNUSA-N 2 0 335.496 1.129 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999406151 706915600 /nfs/dbraw/zinc/91/56/00/706915600.db2.gz KWVUGZLJNABONF-QQFBHYJXSA-N 2 0 333.480 1.466 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999406203 706915722 /nfs/dbraw/zinc/91/57/22/706915722.db2.gz NKDWQFBQDMXAMM-JEYLPNPQSA-N 2 0 348.495 1.170 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999406845 706916142 /nfs/dbraw/zinc/91/61/42/706916142.db2.gz SNRINFJFRSVWMU-IUDNXUCKSA-N 2 0 331.464 1.348 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999508320 707005806 /nfs/dbraw/zinc/00/58/06/707005806.db2.gz ILZYYAMRTYUKGU-UHFFFAOYSA-N 2 0 347.507 1.274 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999515139 707014576 /nfs/dbraw/zinc/01/45/76/707014576.db2.gz XRTKAQHDIWEFFO-SJORKVTESA-N 2 0 333.480 1.028 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488907 707024542 /nfs/dbraw/zinc/02/45/42/707024542.db2.gz HMHJIINYFQQXBU-INIZCTEOSA-N 2 0 346.475 1.940 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)ns2)C1)[NH+](C)C ZINC000999489026 707025033 /nfs/dbraw/zinc/02/50/33/707025033.db2.gz IHKWDVQUFZMHBL-TZMCWYRMSA-N 2 0 340.493 1.573 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH2+]CCC2CC2)C1 ZINC000999494496 707030985 /nfs/dbraw/zinc/03/09/85/707030985.db2.gz QIPWJPFSLFBHJL-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555402 707180310 /nfs/dbraw/zinc/18/03/10/707180310.db2.gz LWDHXMGJEVHRCV-WBVHZDCISA-N 2 0 333.476 1.630 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000999696395 707220894 /nfs/dbraw/zinc/22/08/94/707220894.db2.gz ABDBPCHVDLDVOC-JCYILVPMSA-N 2 0 335.492 1.620 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2nccs2)C1 ZINC000999699399 707227668 /nfs/dbraw/zinc/22/76/68/707227668.db2.gz SJBSOJOQOFKSSL-UHFFFAOYSA-N 2 0 345.472 1.997 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]C[C@@H]2CCCCO2)C1 ZINC000999700261 707229477 /nfs/dbraw/zinc/22/94/77/707229477.db2.gz YWZSHJRNSAPART-GPANFISMSA-N 2 0 346.475 1.909 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)cn1 ZINC000999709460 707302736 /nfs/dbraw/zinc/30/27/36/707302736.db2.gz VANZNWIUMHRQJZ-INIZCTEOSA-N 2 0 338.415 1.462 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3coc(C)n3)C[C@H]2CC1)[NH+](C)C ZINC000946784695 707312049 /nfs/dbraw/zinc/31/20/49/707312049.db2.gz OTHZAPNEKRAKJB-JZXOWHBKSA-N 2 0 348.491 1.994 20 0 EDADRP CC[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](CC)[NH+](C)C)CC[C@@H]2C1)OC ZINC000946784843 707315887 /nfs/dbraw/zinc/31/58/87/707315887.db2.gz WZTRTQWRRUCYJJ-MHORFTMASA-N 2 0 339.524 1.922 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033276668 707341194 /nfs/dbraw/zinc/34/11/94/707341194.db2.gz DTBOSQHPSGHTRS-ZEVUXNIQSA-N 2 0 349.519 1.819 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033296618 707407129 /nfs/dbraw/zinc/40/71/29/707407129.db2.gz WPBSKPTXKMSUAD-PKOBYXMFSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nc3ccccc3o2)C1 ZINC000999828104 707456511 /nfs/dbraw/zinc/45/65/11/707456511.db2.gz CNVJABFOTJSWFO-NFOMZHRRSA-N 2 0 342.443 1.859 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999832853 707463964 /nfs/dbraw/zinc/46/39/64/707463964.db2.gz JJTWXUJHWSSCDS-UHFFFAOYSA-N 2 0 331.460 1.354 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C[C@H](O)C2CCCCC2)C1 ZINC000999833655 707465665 /nfs/dbraw/zinc/46/56/65/707465665.db2.gz OTRROUZXICKPIJ-ABHNRTSZSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004878791 707550764 /nfs/dbraw/zinc/55/07/64/707550764.db2.gz QUECYVZYEADXIT-YJBOKZPZSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001000018689 707644990 /nfs/dbraw/zinc/64/49/90/707644990.db2.gz CVVIXUKFHNZVFV-JCGIZDLHSA-N 2 0 345.491 1.596 20 0 EDADRP CCCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999989087 707663479 /nfs/dbraw/zinc/66/34/79/707663479.db2.gz ZOLGRFCKLRMFSY-HYVNUMGLSA-N 2 0 348.495 1.281 20 0 EDADRP CCc1nocc1CN1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033360331 707688100 /nfs/dbraw/zinc/68/81/00/707688100.db2.gz HTZMHTCDAWEUFZ-ZOBUZTSGSA-N 2 0 348.491 2.000 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391430 707767177 /nfs/dbraw/zinc/76/71/77/707767177.db2.gz RRSXTDXSLDWMQJ-SFHVURJKSA-N 2 0 330.476 1.765 20 0 EDADRP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001004968878 707769094 /nfs/dbraw/zinc/76/90/94/707769094.db2.gz XOJSAKSQMIAXTE-DZGCQCFKSA-N 2 0 345.451 1.123 20 0 EDADRP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)cn1 ZINC001004988605 707845342 /nfs/dbraw/zinc/84/53/42/707845342.db2.gz CISAMFLGWSQIRO-CRAIPNDOSA-N 2 0 345.491 1.740 20 0 EDADRP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033440667 707870191 /nfs/dbraw/zinc/87/01/91/707870191.db2.gz SDXZXFAQYIVRIA-OTWHNJEPSA-N 2 0 345.487 1.247 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033471507 707934241 /nfs/dbraw/zinc/93/42/41/707934241.db2.gz KCKFKMRMROCSHZ-SFHVURJKSA-N 2 0 330.476 1.846 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1 ZINC000921761880 707991651 /nfs/dbraw/zinc/99/16/51/707991651.db2.gz ZMXVIODCNKUUEO-UHFFFAOYSA-N 2 0 328.416 1.368 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC001000712669 708063121 /nfs/dbraw/zinc/06/31/21/708063121.db2.gz CMYNZRYLGPQFMZ-CQSZACIVSA-N 2 0 343.431 1.838 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005185483 708118443 /nfs/dbraw/zinc/11/84/43/708118443.db2.gz RWZGPIFVKNTWQU-KRWDZBQOSA-N 2 0 331.464 1.302 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574950 708249096 /nfs/dbraw/zinc/24/90/96/708249096.db2.gz NYYOVAPHRWKDDP-CRAIPNDOSA-N 2 0 337.508 1.676 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033591975 708289973 /nfs/dbraw/zinc/28/99/73/708289973.db2.gz DLXGPCVIVCGODY-INIZCTEOSA-N 2 0 348.516 1.623 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001833964 708360097 /nfs/dbraw/zinc/36/00/97/708360097.db2.gz NEWGRZYLAWUIBR-CXAGYDPISA-N 2 0 348.491 1.817 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033658779 708469454 /nfs/dbraw/zinc/46/94/54/708469454.db2.gz UIZKTHFPPGITHP-KRWDZBQOSA-N 2 0 333.451 1.997 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892399 708507752 /nfs/dbraw/zinc/50/77/52/708507752.db2.gz PELKFNPKNDPAPZ-GOSISDBHSA-N 2 0 335.492 1.763 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CCOC)C2)o1 ZINC001033698894 708546307 /nfs/dbraw/zinc/54/63/07/708546307.db2.gz FDNIVEAKYRPBEU-OAHLLOKOSA-N 2 0 337.464 1.914 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033835639 708863161 /nfs/dbraw/zinc/86/31/61/708863161.db2.gz CBYPQHDBHJQTDR-KRWDZBQOSA-N 2 0 347.507 1.947 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005397310 708909401 /nfs/dbraw/zinc/90/94/01/708909401.db2.gz ISPNAYPSFPGQKA-CRAIPNDOSA-N 2 0 335.492 1.288 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033896592 709014706 /nfs/dbraw/zinc/01/47/06/709014706.db2.gz INITWESGDHGKSY-ZBFHGGJFSA-N 2 0 343.431 1.185 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CN(C)CCO3)CC2)cc1C ZINC001002537363 709094308 /nfs/dbraw/zinc/09/43/08/709094308.db2.gz WMCSFAMFCYTFBE-IBGZPJMESA-N 2 0 345.487 1.715 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033982593 709191389 /nfs/dbraw/zinc/19/13/89/709191389.db2.gz DVSSRGMIDISNQO-QGZVFWFLSA-N 2 0 335.496 1.637 20 0 EDADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002815701 709430700 /nfs/dbraw/zinc/43/07/00/709430700.db2.gz PZHXYQVFNDXIMP-OAHLLOKOSA-N 2 0 338.496 1.095 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002832223 709443315 /nfs/dbraw/zinc/44/33/15/709443315.db2.gz LHDVRENLYSABIS-OALUTQOASA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002832322 709443414 /nfs/dbraw/zinc/44/34/14/709443414.db2.gz LVNBDXLGWJHJCQ-YJBOKZPZSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1cnc([C@H](C)N2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)o1 ZINC001032830152 709465880 /nfs/dbraw/zinc/46/58/80/709465880.db2.gz IIWHCJXAYGADLG-TUUVXOQKSA-N 2 0 334.464 1.965 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)CC[N@@H+]1C ZINC001002858737 709466439 /nfs/dbraw/zinc/46/64/39/709466439.db2.gz FQHRLVCBWICKEO-DLBZAZTESA-N 2 0 333.480 1.194 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321554 709771979 /nfs/dbraw/zinc/77/19/79/709771979.db2.gz UYIPZXCVDNEKAC-NRGCRIOASA-N 2 0 347.503 1.620 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011180 709783054 /nfs/dbraw/zinc/78/30/54/709783054.db2.gz NBBBVTNKBKBKGN-NVXWUHKLSA-N 2 0 325.497 1.865 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331571 709786588 /nfs/dbraw/zinc/78/65/88/709786588.db2.gz TVKZFILRVKZJTD-SJLPKXTDSA-N 2 0 347.503 1.756 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC001034339482 709801589 /nfs/dbraw/zinc/80/15/89/709801589.db2.gz GZPBATQIIFUXPJ-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@@H](C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)OC ZINC001034378023 709899112 /nfs/dbraw/zinc/89/91/12/709899112.db2.gz NRFCVDGURJCYIJ-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400253 709943515 /nfs/dbraw/zinc/94/35/15/709943515.db2.gz XEVDONHFWQVIFD-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CCCC[N@H+](CC3CC3)C2)cn1 ZINC001034435238 710008421 /nfs/dbraw/zinc/00/84/21/710008421.db2.gz HYVKMPVJLORVFX-KRWDZBQOSA-N 2 0 333.480 1.439 20 0 EDADRP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490047 710107955 /nfs/dbraw/zinc/10/79/55/710107955.db2.gz IHRCXMNYXLGKPR-WBVHZDCISA-N 2 0 334.464 1.796 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001034491391 710111410 /nfs/dbraw/zinc/11/14/10/710111410.db2.gz UDOWQDXJHXKJQR-FUHWJXTLSA-N 2 0 347.507 1.275 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034527781 710181295 /nfs/dbraw/zinc/18/12/95/710181295.db2.gz HXNUWUSPTLHTNI-ROUUACIJSA-N 2 0 337.508 1.870 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCc2ccns2)C1 ZINC001034528788 710182905 /nfs/dbraw/zinc/18/29/05/710182905.db2.gz RCYOLIPQDGIOBR-OAHLLOKOSA-N 2 0 336.505 1.752 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000922161406 710221577 /nfs/dbraw/zinc/22/15/77/710221577.db2.gz AQOJFBCCBLWDGW-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC001034607881 710264562 /nfs/dbraw/zinc/26/45/62/710264562.db2.gz UTSQPDBUKHUDCI-KLHDSHLOSA-N 2 0 331.464 1.649 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034610803 710284833 /nfs/dbraw/zinc/28/48/33/710284833.db2.gz FHYOZPOXHNAQMU-ZOBUZTSGSA-N 2 0 334.464 1.848 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034613300 710288317 /nfs/dbraw/zinc/28/83/17/710288317.db2.gz YWHRCRIWDFYPJO-BZUAXINKSA-N 2 0 348.495 1.218 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375101 710293114 /nfs/dbraw/zinc/29/31/14/710293114.db2.gz IWIFJGDYIDHBKS-LJQANCHMSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034647982 710324551 /nfs/dbraw/zinc/32/45/51/710324551.db2.gz DAHVWBPVIGYKOQ-BRWVUGGUSA-N 2 0 343.475 1.335 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003424999 710340148 /nfs/dbraw/zinc/34/01/48/710340148.db2.gz YMHDWLXAZXXXRH-UHFFFAOYSA-N 2 0 347.507 1.418 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034658236 710342686 /nfs/dbraw/zinc/34/26/86/710342686.db2.gz BQYNNDNMSVRDRV-ULQDDVLXSA-N 2 0 345.491 1.868 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003626438 710455530 /nfs/dbraw/zinc/45/55/30/710455530.db2.gz OUDPWDSNURBZOX-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001003627982 710457842 /nfs/dbraw/zinc/45/78/42/710457842.db2.gz LBPGMKOFLVRTBF-ZFWWWQNUSA-N 2 0 345.434 1.476 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003628431 710458134 /nfs/dbraw/zinc/45/81/34/710458134.db2.gz PNINWGVKKJYLBU-HNNXBMFYSA-N 2 0 333.480 1.028 20 0 EDADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003741780 710524328 /nfs/dbraw/zinc/52/43/28/710524328.db2.gz TZWNSWKRKUWUCC-CVEARBPZSA-N 2 0 338.496 1.094 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003799323 710567409 /nfs/dbraw/zinc/56/74/09/710567409.db2.gz DPZKVWYMYHJSQD-HNNXBMFYSA-N 2 0 333.476 1.977 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC001034674446 710622881 /nfs/dbraw/zinc/62/28/81/710622881.db2.gz PYRIRUBRVVYSFR-KKUMJFAQSA-N 2 0 334.468 1.114 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001034698408 710794171 /nfs/dbraw/zinc/79/41/71/710794171.db2.gz JJFIYZIYMRWTKO-KBAYOESNSA-N 2 0 347.503 1.802 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC001034721930 710888953 /nfs/dbraw/zinc/88/89/53/710888953.db2.gz RUEANLZMADCIMB-QAQDUYKDSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034735303 710920380 /nfs/dbraw/zinc/92/03/80/710920380.db2.gz FAHMWIKEZYSSKS-BPLDGKMQSA-N 2 0 335.452 1.379 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001003938439 711022947 /nfs/dbraw/zinc/02/29/47/711022947.db2.gz DJRQSWIHEPJFCX-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034776680 711054140 /nfs/dbraw/zinc/05/41/40/711054140.db2.gz XIIZCFCZWJUCPD-KBAYOESNSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001034777414 711056343 /nfs/dbraw/zinc/05/63/43/711056343.db2.gz KDLNMZAXTZROAL-BPLDGKMQSA-N 2 0 346.479 1.287 20 0 EDADRP CC1(C)CO[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001034778269 711079579 /nfs/dbraw/zinc/07/95/79/711079579.db2.gz QGBVRXMBDVPWRF-ULQDDVLXSA-N 2 0 349.519 1.914 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003969407 711116158 /nfs/dbraw/zinc/11/61/58/711116158.db2.gz WWKNNKLRXHNKCB-SJLPKXTDSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001034792138 711118488 /nfs/dbraw/zinc/11/84/88/711118488.db2.gz FXTFXLARZSZTCX-RBSFLKMASA-N 2 0 336.505 1.920 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001034792410 711119354 /nfs/dbraw/zinc/11/93/54/711119354.db2.gz JCKDASCCRFSKPN-BZUAXINKSA-N 2 0 331.464 1.254 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792367 711119561 /nfs/dbraw/zinc/11/95/61/711119561.db2.gz HEYQXHQYMAFMQF-ULQDDVLXSA-N 2 0 347.507 1.933 20 0 EDADRP Cc1ncsc1CC[NH+]1CCC(NC(=O)Cc2cncn2C)CC1 ZINC001003970445 711119654 /nfs/dbraw/zinc/11/96/54/711119654.db2.gz GNXRZDKHSQIPPQ-UHFFFAOYSA-N 2 0 347.488 1.551 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCOCC3)CC2)C1 ZINC001034792666 711120165 /nfs/dbraw/zinc/12/01/65/711120165.db2.gz KEXBJWOSKYTCDP-BZSNNMDCSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)o1 ZINC001034792733 711120701 /nfs/dbraw/zinc/12/07/01/711120701.db2.gz MXVITIPIAUKJPS-BZUAXINKSA-N 2 0 334.464 1.760 20 0 EDADRP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034793858 711125122 /nfs/dbraw/zinc/12/51/22/711125122.db2.gz SDRMVLCOWXIDFB-ULQDDVLXSA-N 2 0 345.491 1.959 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034797059 711129999 /nfs/dbraw/zinc/12/99/99/711129999.db2.gz VDGYGZZRUGMUQT-ULQDDVLXSA-N 2 0 345.491 1.868 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001003975655 711173266 /nfs/dbraw/zinc/17/32/66/711173266.db2.gz WJVBLOFGODEEJJ-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)c1 ZINC001034958132 711431294 /nfs/dbraw/zinc/43/12/94/711431294.db2.gz AYVCFRSYPATTJP-MSOLQXFVSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)s1 ZINC001034959873 711435953 /nfs/dbraw/zinc/43/59/53/711435953.db2.gz HGASJEQRIIOICQ-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4n3CCC4)C2)[C@H]1C(C)C ZINC000922393931 711459814 /nfs/dbraw/zinc/45/98/14/711459814.db2.gz LQGXYKGUUIFVQE-PSBWJHGTSA-N 2 0 332.492 1.789 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395537 711469053 /nfs/dbraw/zinc/46/90/53/711469053.db2.gz SSBRURNINFRVIU-OWYHZJEWSA-N 2 0 332.492 1.789 20 0 EDADRP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC001004145812 711555765 /nfs/dbraw/zinc/55/57/65/711555765.db2.gz VFHMSWFVPPDVAD-MRXNPFEDSA-N 2 0 345.491 1.180 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004473818 711850509 /nfs/dbraw/zinc/85/05/09/711850509.db2.gz LXXTYNPJARSRNF-MSOLQXFVSA-N 2 0 337.508 1.556 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638617 712108082 /nfs/dbraw/zinc/10/80/82/712108082.db2.gz URYLXFWYEVOPLP-KURKYZTESA-N 2 0 349.519 1.414 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678259 712370558 /nfs/dbraw/zinc/37/05/58/712370558.db2.gz WLRRWQRFQHJOBG-OAGGEKHMSA-N 2 0 342.443 1.499 20 0 EDADRP CN(CCC[N@H+](C)CC(=O)N(C)C1CCCCC1)CC[NH+](C)C ZINC000344072340 282091485 /nfs/dbraw/zinc/09/14/85/282091485.db2.gz SLNJCWLBVJKZDM-UHFFFAOYSA-N 2 0 326.529 1.593 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906278 282105333 /nfs/dbraw/zinc/10/53/33/282105333.db2.gz JLCGCTCVUUZKCD-ZWKOTPCHSA-N 2 0 332.492 1.728 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(Br)cs1 ZINC000053299104 214175106 /nfs/dbraw/zinc/17/51/06/214175106.db2.gz YNBFOFYSDUSEFS-UHFFFAOYSA-N 2 0 346.294 1.764 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2ccnc2)cc1 ZINC000174726208 529887762 /nfs/dbraw/zinc/88/77/62/529887762.db2.gz CHFPOUJPMNCWQN-UHFFFAOYSA-N 2 0 327.476 1.942 20 0 EDADRP CN(C/C=C/CN(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196912 282335348 /nfs/dbraw/zinc/33/53/48/282335348.db2.gz GEOKNBJQIXNKQA-FMEUAVTJSA-N 2 0 332.536 1.880 20 0 EDADRP CNS(=O)(=O)CC[NH2+][C@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000187194517 530018718 /nfs/dbraw/zinc/01/87/18/530018718.db2.gz CGHBSJLGYFTYAO-ULQDDVLXSA-N 2 0 337.489 1.036 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1(O)CCCCCC1 ZINC000426206692 282353601 /nfs/dbraw/zinc/35/36/01/282353601.db2.gz QSGCTSIUEYFYPL-UHFFFAOYSA-N 2 0 337.508 1.747 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000178695000 232384916 /nfs/dbraw/zinc/38/49/16/232384916.db2.gz WQHPJZUHNSEWGW-IBGZPJMESA-N 2 0 338.455 1.905 20 0 EDADRP CCC[NH+](CC)CC(=O)N1CCN(C(=O)C[N@@H+](CC)CCC)CC1 ZINC000434829160 305131304 /nfs/dbraw/zinc/13/13/04/305131304.db2.gz PCCSFCYJYFCMDV-UHFFFAOYSA-N 2 0 340.512 1.121 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333893775 539658911 /nfs/dbraw/zinc/65/89/11/539658911.db2.gz XTASRXURPWYHAO-BGTYHANMSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C[C@@H](C)O1 ZINC000339233782 539701236 /nfs/dbraw/zinc/70/12/36/539701236.db2.gz KNRPOIQARUHHRA-GVDBMIGSSA-N 2 0 325.497 1.866 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342989718 539772148 /nfs/dbraw/zinc/77/21/48/539772148.db2.gz PKRKPIYPHXSKLM-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000342991319 539772560 /nfs/dbraw/zinc/77/25/60/539772560.db2.gz QZPDHVRGHRWIFD-JKSUJKDBSA-N 2 0 340.512 1.071 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000343012042 539775880 /nfs/dbraw/zinc/77/58/80/539775880.db2.gz KVJDYPNSTUZXHQ-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000561978875 306291764 /nfs/dbraw/zinc/29/17/64/306291764.db2.gz NWWGSJNIRSXEPU-MRXNPFEDSA-N 2 0 348.491 1.033 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000562707367 306306561 /nfs/dbraw/zinc/30/65/61/306306561.db2.gz LQRQAQAVFVODCG-KBAYOESNSA-N 2 0 337.508 1.769 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562809856 306310027 /nfs/dbraw/zinc/31/00/27/306310027.db2.gz RGRWVLWFDCZIJO-SQNIBIBYSA-N 2 0 329.444 1.228 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000562939935 306313033 /nfs/dbraw/zinc/31/30/33/306313033.db2.gz UBZXSVPPTCAGKD-UHFFFAOYSA-N 2 0 342.491 1.902 20 0 EDADRP CCCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000417742573 283001978 /nfs/dbraw/zinc/00/19/78/283001978.db2.gz VYMBBKCSBWEOJG-SFHVURJKSA-N 2 0 344.503 1.869 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3(C[NH3+])CCCCC3)CC2)CCO1 ZINC000184227922 235341052 /nfs/dbraw/zinc/34/10/52/235341052.db2.gz ZJGGQPDUQKEWBL-MRXNPFEDSA-N 2 0 337.508 1.997 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333623824 283166792 /nfs/dbraw/zinc/16/67/92/283166792.db2.gz ZYBOOPVOCPVTBF-SWGHUGEVSA-N 2 0 346.519 1.877 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563563011 306339163 /nfs/dbraw/zinc/33/91/63/306339163.db2.gz FRXFFXLVEZUYSX-IRXDYDNUSA-N 2 0 333.480 1.012 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)N1CCSCC1 ZINC000133299494 138391302 /nfs/dbraw/zinc/39/13/02/138391302.db2.gz JIXXBLWFRJSPPQ-HUUCEWRRSA-N 2 0 341.521 1.135 20 0 EDADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c(C)c1 ZINC000564074203 306354965 /nfs/dbraw/zinc/35/49/65/306354965.db2.gz CLWYHYAUANXSEL-OAHLLOKOSA-N 2 0 332.448 1.042 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000564644815 306361673 /nfs/dbraw/zinc/36/16/73/306361673.db2.gz LUPHSTQMIUDXJI-HZPDHXFCSA-N 2 0 326.510 1.209 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000564784328 306364506 /nfs/dbraw/zinc/36/45/06/306364506.db2.gz QIPVWSFDMPKIDA-CJNGLKHVSA-N 2 0 339.867 1.362 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c1 ZINC000564924985 306369890 /nfs/dbraw/zinc/36/98/90/306369890.db2.gz ZCLDZGBDWRCJLQ-HNNXBMFYSA-N 2 0 328.420 1.517 20 0 EDADRP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183852 304104876 /nfs/dbraw/zinc/10/48/76/304104876.db2.gz NYROXSPREKDZSR-UONOGXRCSA-N 2 0 325.478 1.717 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000565775610 306391241 /nfs/dbraw/zinc/39/12/41/306391241.db2.gz FPDHRAFQDJALKE-HXUWFJFHSA-N 2 0 330.520 1.961 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566020275 306396825 /nfs/dbraw/zinc/39/68/25/306396825.db2.gz KTONQMUSIDLDQX-QZTJIDSGSA-N 2 0 344.503 1.975 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)COC2CCC([NH3+])CC2)cc1 ZINC000566171399 306401690 /nfs/dbraw/zinc/40/16/90/306401690.db2.gz BTLDWBGOTUXUFI-UHFFFAOYSA-N 2 0 335.448 1.852 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000566185639 306402545 /nfs/dbraw/zinc/40/25/45/306402545.db2.gz VOIYQFWFTCPTJJ-MAUKXSAKSA-N 2 0 331.460 1.612 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000566179033 306402128 /nfs/dbraw/zinc/40/21/28/306402128.db2.gz MFCCTTVVCUTVFH-FUHWJXTLSA-N 2 0 331.460 1.082 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000414722842 304132892 /nfs/dbraw/zinc/13/28/92/304132892.db2.gz APFUGJVCVKWQAZ-UHFFFAOYSA-N 2 0 332.448 1.145 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000414743992 304135989 /nfs/dbraw/zinc/13/59/89/304135989.db2.gz WCRKQTJVXZZJFI-KRWDZBQOSA-N 2 0 344.459 1.431 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810955 296109507 /nfs/dbraw/zinc/10/95/07/296109507.db2.gz MLZZRCDWEQEFDL-FUHWJXTLSA-N 2 0 335.492 1.478 20 0 EDADRP FC(F)Oc1cc2c(cc1C[NH2+]CCCN1CC[NH2+]CC1)OCO2 ZINC000414779748 304139787 /nfs/dbraw/zinc/13/97/87/304139787.db2.gz KEJYWUYGAVFLTG-UHFFFAOYSA-N 2 0 343.374 1.402 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@@H](C)O1 ZINC000194829872 139000923 /nfs/dbraw/zinc/00/09/23/139000923.db2.gz GTGRLLIOPMFVOX-CHWSQXEVSA-N 2 0 340.493 1.264 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000415139070 304163521 /nfs/dbraw/zinc/16/35/21/304163521.db2.gz HXXIWCBJRPOGEB-XEZPLFJOSA-N 2 0 330.432 1.340 20 0 EDADRP CCN1C[C@H](C)N(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415144013 304164456 /nfs/dbraw/zinc/16/44/56/304164456.db2.gz CSBCPOWYTYLGNG-KGLIPLIRSA-N 2 0 332.448 1.286 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000195516216 139019071 /nfs/dbraw/zinc/01/90/71/139019071.db2.gz MSCLDRWAOGPVGH-KBPBESRZSA-N 2 0 345.447 1.501 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000236767345 139030753 /nfs/dbraw/zinc/03/07/53/139030753.db2.gz BLQZYQOUGYSUOJ-ZOBUZTSGSA-N 2 0 325.497 1.852 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236839440 139033228 /nfs/dbraw/zinc/03/32/28/139033228.db2.gz OLEPZBZEBRNEJQ-LJQANCHMSA-N 2 0 332.492 1.537 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)cn2)CC1 ZINC000236895857 139034422 /nfs/dbraw/zinc/03/44/22/139034422.db2.gz YHCYBJAJSXQIBU-INIZCTEOSA-N 2 0 333.480 1.213 20 0 EDADRP COC(=O)C1CCC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000567424966 306451130 /nfs/dbraw/zinc/45/11/30/306451130.db2.gz RHNHPJPMXINEHY-UHFFFAOYSA-N 2 0 332.448 1.977 20 0 EDADRP Cc1ccc(CN2CCOCC2)cc1NC(=O)c1csc(CN)n1 ZINC000237716914 139058484 /nfs/dbraw/zinc/05/84/84/139058484.db2.gz MYUJHXRUSKGOOZ-UHFFFAOYSA-N 2 0 346.456 1.995 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000237927041 139064023 /nfs/dbraw/zinc/06/40/23/139064023.db2.gz VEDFTJAGGVZOOS-GOSISDBHSA-N 2 0 331.460 1.536 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111834693 220201436 /nfs/dbraw/zinc/20/14/36/220201436.db2.gz JHIRJDVAQKZWIU-INIZCTEOSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000238018446 139066752 /nfs/dbraw/zinc/06/67/52/139066752.db2.gz MRTUQLGZAUUAJD-LJQANCHMSA-N 2 0 344.503 1.453 20 0 EDADRP NCc1nc(C(=O)NCc2ccc(CN3CCOCC3)cc2)cs1 ZINC000238038783 139067298 /nfs/dbraw/zinc/06/72/98/139067298.db2.gz BNNSLYQPFNUCLB-UHFFFAOYSA-N 2 0 346.456 1.364 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000238052550 139067694 /nfs/dbraw/zinc/06/76/94/139067694.db2.gz USTRELVXCDRREI-QGZVFWFLSA-N 2 0 333.501 1.646 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000111848001 220208249 /nfs/dbraw/zinc/20/82/49/220208249.db2.gz TWOXZJVLFMLOBH-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000111866550 220214186 /nfs/dbraw/zinc/21/41/86/220214186.db2.gz CZHFTDPTFZJBBZ-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@H](C)CO)CC1 ZINC000245598396 139080573 /nfs/dbraw/zinc/08/05/73/139080573.db2.gz LXHRSRBEZDPSRL-QGZVFWFLSA-N 2 0 333.476 1.342 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415283166 304184802 /nfs/dbraw/zinc/18/48/02/304184802.db2.gz RZTAQBUSGKYOQS-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)NC[C@H]1CN(C)CCO1 ZINC000246759634 139120434 /nfs/dbraw/zinc/12/04/34/139120434.db2.gz MTRPOHZHGPIKME-WMZOPIPTSA-N 2 0 346.475 1.233 20 0 EDADRP Cc1csc2nc(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000246743620 139119867 /nfs/dbraw/zinc/11/98/67/139119867.db2.gz GVUCWYHDRVWHHB-ZFWWWQNUSA-N 2 0 332.473 1.981 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000246802894 139122294 /nfs/dbraw/zinc/12/22/94/139122294.db2.gz BAZVRSYPNFOTPS-KBAYOESNSA-N 2 0 345.491 1.638 20 0 EDADRP COC(=O)c1ccccc1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246943345 139128008 /nfs/dbraw/zinc/12/80/08/139128008.db2.gz NQBMUASNSZJDQA-WMLDXEAASA-N 2 0 345.443 1.828 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000415319632 304193707 /nfs/dbraw/zinc/19/37/07/304193707.db2.gz UGUKZDOJVXFTOT-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)CN2C(=O)c3ccccc3C2=O)CCN1C ZINC000247101415 139135460 /nfs/dbraw/zinc/13/54/60/139135460.db2.gz XYIKRBWPTUAUDI-RBSFLKMASA-N 2 0 345.443 1.058 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)COc1ccccc1)N1CC[NH+](C)CC1 ZINC000568383862 306480415 /nfs/dbraw/zinc/48/04/15/306480415.db2.gz MRCZAAOPSFVNDS-HKUYNNGSSA-N 2 0 335.492 1.288 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000247484595 139150110 /nfs/dbraw/zinc/15/01/10/139150110.db2.gz KIIYPBFUVXPBDS-BRWVUGGUSA-N 2 0 340.512 1.659 20 0 EDADRP COC[C@@H](O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092416551 218140653 /nfs/dbraw/zinc/14/06/53/218140653.db2.gz JAFPVNLKAAJZAU-AWEZNQCLSA-N 2 0 341.883 1.579 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000415408339 304215339 /nfs/dbraw/zinc/21/53/39/304215339.db2.gz HAQHULOLPKZKKD-MRXNPFEDSA-N 2 0 346.475 1.235 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@@H]1CCC[C@H]1O)c1ccccc1 ZINC000249378596 139192194 /nfs/dbraw/zinc/19/21/94/139192194.db2.gz ZEEFXTRYFFPNNX-RCCFBDPRSA-N 2 0 333.476 1.498 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261602567 139209782 /nfs/dbraw/zinc/20/97/82/139209782.db2.gz ACSSJFIIGYRGTM-APWZRJJASA-N 2 0 345.487 1.863 20 0 EDADRP [NH3+]C[C@@H]1CN([C@@H]2CCN(CC(F)(F)F)C2=O)C[C@H]1c1ccccc1 ZINC000261608158 139210411 /nfs/dbraw/zinc/21/04/11/139210411.db2.gz BLZXRCMTRGVRMM-QLFBSQMISA-N 2 0 341.377 1.824 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)Cc1ccccc1 ZINC000261634336 139213103 /nfs/dbraw/zinc/21/31/03/139213103.db2.gz DBBIMUARIINWLQ-MOPGFXCFSA-N 2 0 347.503 1.810 20 0 EDADRP C[N@@H+]1CCCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261719723 139220143 /nfs/dbraw/zinc/22/01/43/139220143.db2.gz GTVFEYGAEAWIFF-OAHLLOKOSA-N 2 0 340.265 1.787 20 0 EDADRP Cc1c(Cl)cccc1NC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261909854 139236059 /nfs/dbraw/zinc/23/60/59/139236059.db2.gz QCDLJAGMZOKFLP-AWEZNQCLSA-N 2 0 336.867 1.566 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000415490795 304224535 /nfs/dbraw/zinc/22/45/35/304224535.db2.gz NTDMGJXKEVBUSJ-UHFFFAOYSA-N 2 0 334.464 1.629 20 0 EDADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000261963548 139240350 /nfs/dbraw/zinc/24/03/50/139240350.db2.gz ACRCHQHYDZIAGG-SNVBAGLBSA-N 2 0 338.374 1.085 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261964011 139240378 /nfs/dbraw/zinc/24/03/78/139240378.db2.gz PRGYXWAZKGUJDQ-MRXNPFEDSA-N 3 0 338.540 1.402 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccccc2CN2CCSCC2)O1 ZINC000261998339 139242756 /nfs/dbraw/zinc/24/27/56/139242756.db2.gz NHGBTGUGAFBNQH-ZBFHGGJFSA-N 2 0 335.473 1.680 20 0 EDADRP CCOC(=O)c1cnc(N2CCN(C[C@H]3CCC[NH2+]C3)CC2)s1 ZINC000262035770 139245563 /nfs/dbraw/zinc/24/55/63/139245563.db2.gz XRUCVNSMLKHOSQ-ZDUSSCGKSA-N 2 0 338.477 1.441 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000262099439 139250868 /nfs/dbraw/zinc/25/08/68/139250868.db2.gz IKGKFCQQVPEVJV-GOSISDBHSA-N 2 0 331.508 1.947 20 0 EDADRP COC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000262263222 139264696 /nfs/dbraw/zinc/26/46/96/139264696.db2.gz JONPTRYCCXNYPG-RKVPGOIHSA-N 2 0 333.476 1.754 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000416832897 251112483 /nfs/dbraw/zinc/11/24/83/251112483.db2.gz QSRVKIBWELRPFO-HRCADAONSA-N 2 0 332.448 1.810 20 0 EDADRP [NH3+]CC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCOCC1 ZINC000262294514 139267409 /nfs/dbraw/zinc/26/74/09/139267409.db2.gz OXVARJIZFACIQP-UHFFFAOYSA-N 2 0 331.460 1.654 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCNCC1(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000417023739 251137396 /nfs/dbraw/zinc/13/73/96/251137396.db2.gz WJGGWQIJLMQKMS-MCIONIFRSA-N 2 0 332.439 1.651 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417014717 251132618 /nfs/dbraw/zinc/13/26/18/251132618.db2.gz FTPVNMZOVUINHK-KRWDZBQOSA-N 2 0 347.507 1.088 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417204236 251145927 /nfs/dbraw/zinc/14/59/27/251145927.db2.gz ZWNPTKYJQSVGGM-SQNIBIBYSA-N 2 0 330.476 1.410 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000417320320 251157662 /nfs/dbraw/zinc/15/76/62/251157662.db2.gz PRJJYIQSQGUDTF-XKQJLSEDSA-N 2 0 336.455 1.992 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417542851 251184360 /nfs/dbraw/zinc/18/43/60/251184360.db2.gz FBHHCPSEYVQOIQ-HIFRSBDPSA-N 2 0 326.485 1.173 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000417535789 251184382 /nfs/dbraw/zinc/18/43/82/251184382.db2.gz BGWKVWHVHLCAAN-HNNXBMFYSA-N 2 0 346.475 1.147 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417573697 251192021 /nfs/dbraw/zinc/19/20/21/251192021.db2.gz XPIIASUQSRYBMT-RHSMWYFYSA-N 2 0 334.464 1.616 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2)C1 ZINC000262393709 139275783 /nfs/dbraw/zinc/27/57/83/139275783.db2.gz OMBXVPYKSIOWNK-LPHOPBHVSA-N 2 0 345.487 1.913 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000417666376 251218718 /nfs/dbraw/zinc/21/87/18/251218718.db2.gz CQKIIKLKBOHHOD-GJZGRUSLSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417617711 251206946 /nfs/dbraw/zinc/20/69/46/251206946.db2.gz CJMFHJBJLZZLFQ-RDJZCZTQSA-N 2 0 348.491 1.875 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH2+]C)C2)[C@@H](C)C1 ZINC000417674502 251224554 /nfs/dbraw/zinc/22/45/54/251224554.db2.gz ZOPLCFUICSEPFB-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000417722927 251242263 /nfs/dbraw/zinc/24/22/63/251242263.db2.gz BWEKTUYNGZLMKI-HOTGVXAUSA-N 2 0 333.480 1.104 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417838665 251292638 /nfs/dbraw/zinc/29/26/38/251292638.db2.gz NEKQYQPGAPRLED-OAHLLOKOSA-N 2 0 332.448 1.051 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH2+]1 ZINC000417793992 251272710 /nfs/dbraw/zinc/27/27/10/251272710.db2.gz MJYTWHSRESCWKF-AEFFLSMTSA-N 2 0 338.496 1.319 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCC[NH2+]1 ZINC000417793994 251273664 /nfs/dbraw/zinc/27/36/64/251273664.db2.gz MJYTWHSRESCWKF-FUHWJXTLSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000417816059 251281665 /nfs/dbraw/zinc/28/16/65/251281665.db2.gz BZKYFBJIIMECEF-LZLYRXPVSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417880067 251310619 /nfs/dbraw/zinc/31/06/19/251310619.db2.gz SJRPSECCPNDSGM-YSHGAJCASA-N 2 0 342.487 1.900 20 0 EDADRP CC(C)([NH3+])CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417991638 251319188 /nfs/dbraw/zinc/31/91/88/251319188.db2.gz RZVOMKCGVZGPLH-UHFFFAOYSA-N 2 0 348.491 1.740 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418106375 251323143 /nfs/dbraw/zinc/32/31/43/251323143.db2.gz MZQODAOQUZRBFE-BPQIPLTHSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000418104170 251323703 /nfs/dbraw/zinc/32/37/03/251323703.db2.gz JYANTSGYLVDLIV-FHWLQOOXSA-N 2 0 342.487 1.902 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418109311 251324208 /nfs/dbraw/zinc/32/42/08/251324208.db2.gz UDYRBRKOISEEFN-KZNAEPCWSA-N 2 0 330.476 1.935 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NC1CC([NH+]2CCCCC2)C1 ZINC000418126315 251336535 /nfs/dbraw/zinc/33/65/35/251336535.db2.gz LIJNZULELXSLAW-UHFFFAOYSA-N 2 0 345.491 1.877 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000418197589 251354538 /nfs/dbraw/zinc/35/45/38/251354538.db2.gz TZZPLMLUEXSQGH-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H](C)[C@@H](C[NH3+])C2)CC[NH+](C)CC1 ZINC000418196735 251354553 /nfs/dbraw/zinc/35/45/53/251354553.db2.gz IEXHXGSCRMVOJA-KGLIPLIRSA-N 2 0 328.526 1.440 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000418723030 251398205 /nfs/dbraw/zinc/39/82/05/251398205.db2.gz NJFOHJCEVPRNQU-CABCVRRESA-N 2 0 347.463 1.439 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CCCC1)c1ccccc1 ZINC000262550895 139285972 /nfs/dbraw/zinc/28/59/72/139285972.db2.gz TUGMKAJRBVUPEN-USXIJHARSA-N 2 0 331.460 1.489 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1C ZINC000418685686 251385845 /nfs/dbraw/zinc/38/58/45/251385845.db2.gz NHUXUTVUWUOXRQ-XYVMCAHJSA-N 2 0 330.476 1.866 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[NH2+]CC3CC3)CC2)c1 ZINC000262652301 139293251 /nfs/dbraw/zinc/29/32/51/139293251.db2.gz RVJGNZXBPJIOGL-UHFFFAOYSA-N 2 0 344.503 1.623 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@@H](C)O1 ZINC000262654104 139293398 /nfs/dbraw/zinc/29/33/98/139293398.db2.gz SQUZSYYTHLGXMX-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000262684276 139296202 /nfs/dbraw/zinc/29/62/02/139296202.db2.gz ZSQVXPHXRZMPDT-HOTGVXAUSA-N 2 0 346.475 1.824 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262714000 139298474 /nfs/dbraw/zinc/29/84/74/139298474.db2.gz SYTFKIITOQZANP-LJQANCHMSA-N 2 0 346.475 1.840 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000262798756 139304468 /nfs/dbraw/zinc/30/44/68/139304468.db2.gz OSCXJLOPQACOFC-PVAVHDDUSA-N 2 0 333.501 1.861 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422875337 252007821 /nfs/dbraw/zinc/00/78/21/252007821.db2.gz DULRFNKQXWXMGR-OALUTQOASA-N 2 0 344.503 1.681 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422902279 252016790 /nfs/dbraw/zinc/01/67/90/252016790.db2.gz MPUXAODWFXYPGI-ZMSDIMECSA-N 2 0 347.459 1.418 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000422852964 252000891 /nfs/dbraw/zinc/00/08/91/252000891.db2.gz YLAZKBXFKMRJKJ-WMLDXEAASA-N 2 0 339.505 1.206 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415603309 304237109 /nfs/dbraw/zinc/23/71/09/304237109.db2.gz UFTOFCSCURLPFL-ZIAGYGMSSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000423094111 252036812 /nfs/dbraw/zinc/03/68/12/252036812.db2.gz JKJVNFVTDSLSKI-STQMWFEESA-N 2 0 329.441 1.034 20 0 EDADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423174297 252042361 /nfs/dbraw/zinc/04/23/61/252042361.db2.gz AEISZCRXCCEAIY-HNNXBMFYSA-N 2 0 334.464 1.297 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179537 252044436 /nfs/dbraw/zinc/04/44/36/252044436.db2.gz MLFSTFZOKGQFFV-HKUYNNGSSA-N 2 0 331.508 1.177 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423484422 252055414 /nfs/dbraw/zinc/05/54/14/252055414.db2.gz RBDDTTXMQLPOTD-DZGCQCFKSA-N 2 0 325.478 1.778 20 0 EDADRP C[C@]([NH3+])(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424015038 252114520 /nfs/dbraw/zinc/11/45/20/252114520.db2.gz XHAPJGMWHWEGLH-YQVWRLOYSA-N 2 0 327.403 1.953 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000424031260 252120513 /nfs/dbraw/zinc/12/05/13/252120513.db2.gz HBEBUNGIRIJEDU-DLBZAZTESA-N 2 0 335.423 1.238 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000423796909 252078801 /nfs/dbraw/zinc/07/88/01/252078801.db2.gz MFBLOQLLZOFKQN-KRWDZBQOSA-N 2 0 330.476 1.881 20 0 EDADRP C[C@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCCC[NH2+]1 ZINC000423803350 252083470 /nfs/dbraw/zinc/08/34/70/252083470.db2.gz WPMYAMWGESXSCX-LJQANCHMSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+]1CCC(C)CC1 ZINC000424155240 252147554 /nfs/dbraw/zinc/14/75/54/252147554.db2.gz MPNZWBLHDVYSGQ-LSDHHAIUSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[NH+]1CCC(C)CC1 ZINC000424155239 252147987 /nfs/dbraw/zinc/14/79/87/252147987.db2.gz MPNZWBLHDVYSGQ-HUUCEWRRSA-N 2 0 334.468 1.053 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424293736 252192036 /nfs/dbraw/zinc/19/20/36/252192036.db2.gz PUTMNJZWMGXPME-CQSZACIVSA-N 2 0 349.479 1.055 20 0 EDADRP Cc1cc(CN2CCN(C[C@H](C[NH3+])c3ccc(F)cc3)CC2)no1 ZINC000424305870 252193672 /nfs/dbraw/zinc/19/36/72/252193672.db2.gz TZBPMQFDTOADBQ-INIZCTEOSA-N 2 0 332.423 1.982 20 0 EDADRP CO[C@H](C[NH3+])C(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000569691279 306516181 /nfs/dbraw/zinc/51/61/81/306516181.db2.gz GYNVEBIJWVHMOP-QGZVFWFLSA-N 2 0 334.464 1.438 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000424465734 252238484 /nfs/dbraw/zinc/23/84/84/252238484.db2.gz KGWFFYHBHXPAIZ-CQSZACIVSA-N 2 0 344.459 1.335 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424445430 252234792 /nfs/dbraw/zinc/23/47/92/252234792.db2.gz FNBQJIFTKUEYAS-WMLDXEAASA-N 2 0 346.475 1.723 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424474855 252244920 /nfs/dbraw/zinc/24/49/20/252244920.db2.gz JAIJOLPGRVDIQO-RCCFBDPRSA-N 2 0 330.476 1.886 20 0 EDADRP CC(C)(CC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)S(C)(=O)=O ZINC000425897981 252313707 /nfs/dbraw/zinc/31/37/07/252313707.db2.gz XBBYAPBITWSJCX-UHFFFAOYSA-N 2 0 329.466 1.445 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507004 296344467 /nfs/dbraw/zinc/34/44/67/296344467.db2.gz MLRQPOZBTYWMGR-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc(C)c1OCc1ccccn1 ZINC000263309558 139334965 /nfs/dbraw/zinc/33/49/65/139334965.db2.gz YIWMWUOGXVZJOI-PKOBYXMFSA-N 2 0 341.455 1.947 20 0 EDADRP COC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C1CCOCC1 ZINC000188037232 285232854 /nfs/dbraw/zinc/23/28/54/285232854.db2.gz NBLJOMFLZSJWBI-CRAIPNDOSA-N 2 0 326.481 1.519 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646272 255015313 /nfs/dbraw/zinc/01/53/13/255015313.db2.gz ULJJPEZWXWQQJT-HZPDHXFCSA-N 2 0 328.501 1.232 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNCC(F)(F)F ZINC000353730072 285243565 /nfs/dbraw/zinc/24/35/65/285243565.db2.gz OZBHRWUSIWRAGJ-CYBMUJFWSA-N 2 0 338.418 1.013 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557460 255032356 /nfs/dbraw/zinc/03/23/56/255032356.db2.gz JVOQBJBHDFIFMC-YSHGAJCASA-N 2 0 327.472 1.775 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc2n1CCCC2 ZINC000371017504 285250352 /nfs/dbraw/zinc/25/03/52/285250352.db2.gz JPIIKGBJKTYEIU-MRXNPFEDSA-N 2 0 347.507 1.708 20 0 EDADRP O=C(Oc1ccccc1)N1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000496159902 255359146 /nfs/dbraw/zinc/35/91/46/255359146.db2.gz KCFUFKRBAAZPGU-KRWDZBQOSA-N 2 0 346.475 1.535 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118115074 221119861 /nfs/dbraw/zinc/11/98/61/221119861.db2.gz GESKAIQKIMCMOF-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000360100115 285313256 /nfs/dbraw/zinc/31/32/56/285313256.db2.gz XAJXHFZCVKMHLX-SFHVURJKSA-N 2 0 332.492 1.351 20 0 EDADRP COC[C@@]1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000357266425 285324166 /nfs/dbraw/zinc/32/41/66/285324166.db2.gz HVGNWMBIJDXEGY-QUCCMNQESA-N 2 0 345.487 1.926 20 0 EDADRP CC[C@]1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]C1 ZINC000119733354 221389772 /nfs/dbraw/zinc/38/97/72/221389772.db2.gz DWHDHCSWGDBSPA-IBGZPJMESA-N 2 0 337.508 1.775 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000415850293 304281575 /nfs/dbraw/zinc/28/15/75/304281575.db2.gz WYIMYFJNGVLZGW-CJNGLKHVSA-N 2 0 332.448 1.273 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000570863143 306553044 /nfs/dbraw/zinc/55/30/44/306553044.db2.gz WLGSOYPEKPDQEO-IAGOWNOFSA-N 2 0 349.523 1.933 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000415907372 304284963 /nfs/dbraw/zinc/28/49/63/304284963.db2.gz MQEQFVANJGELAT-MRXNPFEDSA-N 2 0 347.507 1.801 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000415914018 304285151 /nfs/dbraw/zinc/28/51/51/304285151.db2.gz TZXQRNLFIOWZKC-MRXNPFEDSA-N 2 0 334.464 1.620 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000415921858 304285447 /nfs/dbraw/zinc/28/54/47/304285447.db2.gz SIXAEGTYKCYPDQ-KRWDZBQOSA-N 2 0 334.464 1.981 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000164614632 533604058 /nfs/dbraw/zinc/60/40/58/533604058.db2.gz BCJWPEOQPMODLF-OAHLLOKOSA-N 2 0 325.478 1.324 20 0 EDADRP C[C@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000416213216 304296452 /nfs/dbraw/zinc/29/64/52/304296452.db2.gz FYMZQKIHQJRMSC-WMZOPIPTSA-N 2 0 347.503 1.983 20 0 EDADRP C[C@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000416213214 304296554 /nfs/dbraw/zinc/29/65/54/304296554.db2.gz FYMZQKIHQJRMSC-FUHWJXTLSA-N 2 0 347.503 1.983 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240474 304299584 /nfs/dbraw/zinc/29/95/84/304299584.db2.gz JRPZUJJBTCLESA-MOPGFXCFSA-N 2 0 343.471 1.366 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)CC[N@@H+]2CCc3ccccc3C2)[NH+](C)C1 ZINC000416240496 304299647 /nfs/dbraw/zinc/29/96/47/304299647.db2.gz JUHGZTWUTNHGNI-OALUTQOASA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)N1CCCC1 ZINC000571632870 306570329 /nfs/dbraw/zinc/57/03/29/306570329.db2.gz GRYGDJVWJMVVEY-GMBSWORKSA-N 2 0 329.444 1.843 20 0 EDADRP Cc1c(/C=C/C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnn1C ZINC000270180658 140056302 /nfs/dbraw/zinc/05/63/02/140056302.db2.gz JKOOBFRUNINESO-MDZDMXLPSA-N 2 0 335.496 1.474 20 0 EDADRP C[C@H]1OCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270670499 140144747 /nfs/dbraw/zinc/14/47/47/140144747.db2.gz WAVVIJKSGUHUDR-WBVHZDCISA-N 2 0 347.463 1.070 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000271090795 140234790 /nfs/dbraw/zinc/23/47/90/140234790.db2.gz HZDWHQZPHVWIQH-CQSZACIVSA-N 2 0 337.439 1.472 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)N2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000331638134 141060419 /nfs/dbraw/zinc/06/04/19/141060419.db2.gz SONIJQOHRVCQTQ-HUUCEWRRSA-N 2 0 337.468 1.113 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000332163951 141133550 /nfs/dbraw/zinc/13/35/50/141133550.db2.gz UCTZWGNDZBARBD-YYQUZTFQSA-N 2 0 334.439 1.779 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH+](C2CCCCC2)CC1 ZINC000333316784 141298192 /nfs/dbraw/zinc/29/81/92/141298192.db2.gz SXJQWGPYCJAXND-SFHVURJKSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000333627518 141347043 /nfs/dbraw/zinc/34/70/43/141347043.db2.gz GBBGZHXKFPDSEG-YQYZPQCESA-N 2 0 348.466 1.911 20 0 EDADRP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000333649694 141350464 /nfs/dbraw/zinc/35/04/64/141350464.db2.gz JOVBPXDPFLTCAV-ZBFHGGJFSA-N 2 0 334.468 1.021 20 0 EDADRP Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333653095 141350799 /nfs/dbraw/zinc/35/07/99/141350799.db2.gz ZIPGUIZBKAVFDJ-BFYDXBDKSA-N 2 0 345.491 1.443 20 0 EDADRP c1ncn2c1C[C@H](c1nc([C@H]3CN4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749420 141372863 /nfs/dbraw/zinc/37/28/63/141372863.db2.gz SQRZCSAYHMSYRU-UMVBOHGHSA-N 2 0 329.404 1.922 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[NH+](C)C1 ZINC000416408616 304316308 /nfs/dbraw/zinc/31/63/08/304316308.db2.gz QZCUDOBZLWQAIR-ZBFHGGJFSA-N 2 0 347.459 1.195 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000339667269 142113003 /nfs/dbraw/zinc/11/30/03/142113003.db2.gz ICHYEMQTPNEBSU-HNNXBMFYSA-N 2 0 340.512 1.070 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340120083 142272058 /nfs/dbraw/zinc/27/20/58/142272058.db2.gz QIZIDBWEVQEZHQ-SJLPKXTDSA-N 3 0 345.491 1.085 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)C(C)C ZINC000340213118 142305861 /nfs/dbraw/zinc/30/58/61/142305861.db2.gz SZAACQCROZMBLE-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000345100070 143050361 /nfs/dbraw/zinc/05/03/61/143050361.db2.gz FSKJXZDJVMUXHQ-VYDXJSESSA-N 2 0 340.537 1.692 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000346125429 143170278 /nfs/dbraw/zinc/17/02/78/143170278.db2.gz GCIGAFMTOKWEJR-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP Cc1nccn1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000346303966 143189386 /nfs/dbraw/zinc/18/93/86/143189386.db2.gz GOELDDHSJIANPR-UHFFFAOYSA-N 2 0 349.523 1.608 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(Cc2cc3c(cc2OCCOC)OCO3)C1 ZINC000346999353 143269691 /nfs/dbraw/zinc/26/96/91/143269691.db2.gz GAVWFGQCUXNIQZ-AWEZNQCLSA-N 2 0 336.432 1.872 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347037788 143275056 /nfs/dbraw/zinc/27/50/56/143275056.db2.gz FZEKUNVVBDPYBL-CYBMUJFWSA-N 2 0 345.472 1.492 20 0 EDADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cnn(C)c1 ZINC000347261086 143301279 /nfs/dbraw/zinc/30/12/79/143301279.db2.gz FMLAFZYCOLRFCN-CRAIPNDOSA-N 2 0 343.475 1.360 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)s1 ZINC000349070710 143477116 /nfs/dbraw/zinc/47/71/16/143477116.db2.gz CMYPUCGGFFBJGR-UHFFFAOYSA-N 2 0 337.537 1.669 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)CC1 ZINC000573092374 306611528 /nfs/dbraw/zinc/61/15/28/306611528.db2.gz NXTSWNIYHLNWEP-HCXYKTFWSA-N 2 0 342.487 1.977 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCCCC(F)(F)F)C2)CC1 ZINC000369788381 155177445 /nfs/dbraw/zinc/17/74/45/155177445.db2.gz DXUFZKPBHOQSAW-GFCCVEGCSA-N 2 0 336.402 1.797 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416788447 304349064 /nfs/dbraw/zinc/34/90/64/304349064.db2.gz QGEFIUZERRRZFZ-KSZLIROESA-N 2 0 328.460 1.684 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000416822555 304350064 /nfs/dbraw/zinc/35/00/64/304350064.db2.gz NCTMJCCUHFAZCD-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000416841317 304350575 /nfs/dbraw/zinc/35/05/75/304350575.db2.gz MBJPCECDDABSLP-CGTJXYLNSA-N 2 0 332.492 1.928 20 0 EDADRP COC[C@]1(CNC(=O)NCC2([NH+](C)C)CCCCCC2)CCC[NH2+]1 ZINC000416848676 304351772 /nfs/dbraw/zinc/35/17/72/304351772.db2.gz LUFSWOIKSVIWLC-QGZVFWFLSA-N 2 0 340.512 1.709 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCC1=CC[NH2+]CC1)Cc1ccccc1 ZINC000416855714 304352197 /nfs/dbraw/zinc/35/21/97/304352197.db2.gz WNEOFDFBCBQMJD-SFHVURJKSA-N 2 0 330.476 1.768 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353243660 149337234 /nfs/dbraw/zinc/33/72/34/149337234.db2.gz MPBNAFKWSMYGNA-OAHLLOKOSA-N 2 0 349.479 1.652 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C1 ZINC000353245806 149338585 /nfs/dbraw/zinc/33/85/85/149338585.db2.gz UXPVVOSWQQCQSW-VSZNYVQBSA-N 2 0 337.508 1.759 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353403150 149393318 /nfs/dbraw/zinc/39/33/18/149393318.db2.gz LLNPSQBWHAKMER-CEXWTWQISA-N 2 0 348.535 1.393 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416964748 304356390 /nfs/dbraw/zinc/35/63/90/304356390.db2.gz CSHRYMGXPQVAJQ-OAGGEKHMSA-N 2 0 348.491 1.703 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)c1 ZINC000416978939 304360211 /nfs/dbraw/zinc/36/02/11/304360211.db2.gz WJZFSSKAAZTRPW-LJQANCHMSA-N 2 0 348.491 1.816 20 0 EDADRP CC[N@H+](CCC1CC1)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000355033396 150083821 /nfs/dbraw/zinc/08/38/21/150083821.db2.gz DNVBSTPAWZQAAP-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@H]2C1 ZINC000355360983 150233773 /nfs/dbraw/zinc/23/37/73/150233773.db2.gz HJKKCTSQYYUDJI-ROUUACIJSA-N 2 0 331.460 1.683 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417028775 304362259 /nfs/dbraw/zinc/36/22/59/304362259.db2.gz BUBYRXMEVSYJKC-HZPDHXFCSA-N 2 0 326.485 1.400 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC[C@H](C)[NH3+])cc2)CC1 ZINC000416986100 304361928 /nfs/dbraw/zinc/36/19/28/304361928.db2.gz ISUZWVWJBIFVPV-INIZCTEOSA-N 2 0 347.507 1.361 20 0 EDADRP COC[C@]1(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417032358 304363275 /nfs/dbraw/zinc/36/32/75/304363275.db2.gz FCZMECNFBKASTA-SJLPKXTDSA-N 2 0 340.512 1.566 20 0 EDADRP [NH3+]CC1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000417033127 304363329 /nfs/dbraw/zinc/36/33/29/304363329.db2.gz RJBKDBLWRICGJQ-UHFFFAOYSA-N 2 0 330.476 1.815 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417040962 304365065 /nfs/dbraw/zinc/36/50/65/304365065.db2.gz VVXLOGZOQVHFDR-IBGZPJMESA-N 2 0 330.476 1.815 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000417044350 304365498 /nfs/dbraw/zinc/36/54/98/304365498.db2.gz XWBBXCPNAJZYMN-MAUKXSAKSA-N 2 0 330.476 1.814 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000417055444 304367283 /nfs/dbraw/zinc/36/72/83/304367283.db2.gz XEFFWKGJFHLYLR-SJORKVTESA-N 2 0 347.507 1.542 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1)C1CC1 ZINC000358058106 151251760 /nfs/dbraw/zinc/25/17/60/151251760.db2.gz BVZYWXSFZOGKRN-LJQANCHMSA-N 2 0 331.460 1.467 20 0 EDADRP COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000358228801 151312977 /nfs/dbraw/zinc/31/29/77/151312977.db2.gz VVHNNCGOFLLSBO-GOSISDBHSA-N 2 0 331.460 1.488 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)[C@H](C)C1 ZINC000358235007 151314167 /nfs/dbraw/zinc/31/41/67/151314167.db2.gz HRUZBZZYYIQZKO-LTIDMASMSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358509087 151399779 /nfs/dbraw/zinc/39/97/79/151399779.db2.gz MRHVDJZDTLVDIY-KRWDZBQOSA-N 2 0 345.487 1.954 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417120500 304374712 /nfs/dbraw/zinc/37/47/12/304374712.db2.gz VNVNJRBUDGBAEP-LSDHHAIUSA-N 2 0 340.537 1.727 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)COC(C)C)cn2)CC1 ZINC000574032408 306640565 /nfs/dbraw/zinc/64/05/65/306640565.db2.gz AHHPOEWMUOYZKO-KRWDZBQOSA-N 2 0 336.480 1.099 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360400360 152021233 /nfs/dbraw/zinc/02/12/33/152021233.db2.gz ZGSJGZFOJASREG-HOCLYGCPSA-N 2 0 328.526 1.455 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CC[NH+](C)C)[C@H](C)C1 ZINC000360793093 152206885 /nfs/dbraw/zinc/20/68/85/152206885.db2.gz CSMZCFKQSWCOTA-IKGGRYGDSA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000361083381 152297803 /nfs/dbraw/zinc/29/78/03/152297803.db2.gz GWLBRFGRCRQFRM-NJAFHUGGSA-N 2 0 337.508 1.772 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417151440 304378524 /nfs/dbraw/zinc/37/85/24/304378524.db2.gz GQASNPOMZLFBRO-AEFFLSMTSA-N 2 0 345.491 1.863 20 0 EDADRP C[C@@H](NC(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000361428151 152391685 /nfs/dbraw/zinc/39/16/85/152391685.db2.gz AQOGKJIGFGZHHS-MJGOQNOKSA-N 2 0 344.503 1.576 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417158447 304379184 /nfs/dbraw/zinc/37/91/84/304379184.db2.gz WEQOKSRPEOVCAY-QGZVFWFLSA-N 2 0 347.507 1.483 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417179485 304381182 /nfs/dbraw/zinc/38/11/82/304381182.db2.gz FUPSTFFKFIIKOR-SQNIBIBYSA-N 2 0 330.476 1.553 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000363558064 153000103 /nfs/dbraw/zinc/00/01/03/153000103.db2.gz ORAAMDWQNYIUDH-XDNAFOTISA-N 2 0 334.508 1.844 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363635427 153018909 /nfs/dbraw/zinc/01/89/09/153018909.db2.gz WLIQBDATOXWNFN-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@H](CO)C1)c1ccccc1 ZINC000363827196 153068372 /nfs/dbraw/zinc/06/83/72/153068372.db2.gz RUMSVCFQOOQBPX-FUHWJXTLSA-N 2 0 333.476 1.500 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000417198589 304383824 /nfs/dbraw/zinc/38/38/24/304383824.db2.gz RQLIYHLFQXZSKL-MSOLQXFVSA-N 2 0 332.492 1.800 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000364734811 153319192 /nfs/dbraw/zinc/31/91/92/153319192.db2.gz LGKBTGKAIRVLKG-YKTARERQSA-N 2 0 337.508 1.756 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000367294301 154069960 /nfs/dbraw/zinc/06/99/60/154069960.db2.gz JNEFYLXQOVIKFG-NVXWUHKLSA-N 2 0 345.491 1.180 20 0 EDADRP Cc1ccncc1CCC[N@@H+]1CCC[C@H]([C@]2(C)NC(=O)NC2=O)C1 ZINC000367369815 154091664 /nfs/dbraw/zinc/09/16/64/154091664.db2.gz ICEFKUWLWDZSDY-YJBOKZPZSA-N 2 0 330.432 1.633 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000367550373 154171141 /nfs/dbraw/zinc/17/11/41/154171141.db2.gz IALTVUCWGRYZJE-UJJTZGENSA-N 2 0 331.460 1.614 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000367594281 154190931 /nfs/dbraw/zinc/19/09/31/154190931.db2.gz PNPVWZMGNPENGT-QZTJIDSGSA-N 2 0 331.460 1.647 20 0 EDADRP O=C(N1CCC(CC[NH+]2CCOCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000367653590 154214932 /nfs/dbraw/zinc/21/49/32/154214932.db2.gz OTFMUGKQIFKTQM-AZUAARDMSA-N 2 0 349.519 1.727 20 0 EDADRP C[N@@H+](CC(=O)NC[C@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367887568 154313490 /nfs/dbraw/zinc/31/34/90/154313490.db2.gz UXFOHODLXINLSF-GOSISDBHSA-N 2 0 346.475 1.525 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CCCO1 ZINC000368067167 154394622 /nfs/dbraw/zinc/39/46/22/154394622.db2.gz VEPPVDNRPQGISU-AEFFLSMTSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000574706351 306655874 /nfs/dbraw/zinc/65/58/74/306655874.db2.gz HMKBTFYSLDYQNB-IBGZPJMESA-N 2 0 348.535 1.488 20 0 EDADRP CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000417360762 304394828 /nfs/dbraw/zinc/39/48/28/304394828.db2.gz JWCLLZVYVOVPJA-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCn2ccnc2C1 ZINC000369566608 155089073 /nfs/dbraw/zinc/08/90/73/155089073.db2.gz CPOPOVQXTOTLDU-PMPSAXMXSA-N 2 0 333.480 1.865 20 0 EDADRP C[NH+]1CCC(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000369656169 155121594 /nfs/dbraw/zinc/12/15/94/155121594.db2.gz JKXGVEBJJDZFOV-OKZBNKHCSA-N 2 0 334.508 1.844 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000417391846 304396129 /nfs/dbraw/zinc/39/61/29/304396129.db2.gz OAOUBVJIGAEWRI-KRWDZBQOSA-N 2 0 326.485 1.176 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000417533409 304403808 /nfs/dbraw/zinc/40/38/08/304403808.db2.gz XODKEVRLQOJPBW-KRWDZBQOSA-N 2 0 348.491 1.611 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000369658430 292352223 /nfs/dbraw/zinc/35/22/23/292352223.db2.gz DGMRNAMPSIGEHH-BBWFWOEESA-N 2 0 325.497 1.819 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374056377 157125231 /nfs/dbraw/zinc/12/52/31/157125231.db2.gz YQKNVUWFIPKKIA-IBGZPJMESA-N 2 0 344.459 1.560 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)CC1 ZINC000374330288 157247255 /nfs/dbraw/zinc/24/72/55/157247255.db2.gz WSIFXNNXVTUUKU-SFHVURJKSA-N 2 0 338.540 1.199 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000374516518 157315729 /nfs/dbraw/zinc/31/57/29/157315729.db2.gz YETIVIACKJWQGX-LJQANCHMSA-N 2 0 345.487 1.783 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000374521102 157316094 /nfs/dbraw/zinc/31/60/94/157316094.db2.gz NDYKUJSVJPVICU-GOSISDBHSA-N 2 0 349.450 1.660 20 0 EDADRP Oc1ccc(CC[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000378159108 158095824 /nfs/dbraw/zinc/09/58/24/158095824.db2.gz CNSURHTWSVWKFP-UHFFFAOYSA-N 2 0 333.476 1.321 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@]2(N(C)C)CCOc3ccccc32)C1 ZINC000378189644 158104156 /nfs/dbraw/zinc/10/41/56/158104156.db2.gz YTQGOEWRLQCDSE-DOXZYTNZSA-N 2 0 331.460 1.812 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000378247904 158119943 /nfs/dbraw/zinc/11/99/43/158119943.db2.gz YWKHFMYRFZSKRH-IXDOHACOSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000352220671 162058464 /nfs/dbraw/zinc/05/84/64/162058464.db2.gz DCBZMIPBDOBRCT-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)CCO1 ZINC000352440551 162183311 /nfs/dbraw/zinc/18/33/11/162183311.db2.gz PDSRRPICKASDIF-YJBOKZPZSA-N 2 0 335.492 1.573 20 0 EDADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000417998731 304444394 /nfs/dbraw/zinc/44/43/94/304444394.db2.gz UYTSWYUYVOSKFY-KRWDZBQOSA-N 2 0 346.475 1.365 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000418057904 304452566 /nfs/dbraw/zinc/45/25/66/304452566.db2.gz NVIIMQIXEBGZSA-MSOLQXFVSA-N 2 0 330.476 1.542 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418074633 304455115 /nfs/dbraw/zinc/45/51/15/304455115.db2.gz XWXLDTYIHVTBNW-GOSISDBHSA-N 2 0 344.459 1.717 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C)C1 ZINC000355095643 287090405 /nfs/dbraw/zinc/09/04/05/287090405.db2.gz QJMABAJCBIVXOZ-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000418172774 304459162 /nfs/dbraw/zinc/45/91/62/304459162.db2.gz RVAXYHJAVKVNNU-INIZCTEOSA-N 2 0 346.475 1.792 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000073477756 287260709 /nfs/dbraw/zinc/26/07/09/287260709.db2.gz FBCNWZTTYYXAJL-SFHVURJKSA-N 2 0 344.503 1.657 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000073721357 287264213 /nfs/dbraw/zinc/26/42/13/287264213.db2.gz YZOSTRUPIQMDAU-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NCC1([NH+](C)C)CCOCC1)C(C)C ZINC000080693131 287308747 /nfs/dbraw/zinc/30/87/47/287308747.db2.gz FRNSUQKXHXRPMN-UHFFFAOYSA-N 2 0 342.528 1.905 20 0 EDADRP Cc1ccccc1CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000112362223 287340714 /nfs/dbraw/zinc/34/07/14/287340714.db2.gz UXSWRXNJPGEFBX-UHFFFAOYSA-N 2 0 327.494 1.250 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000118898372 287348872 /nfs/dbraw/zinc/34/88/72/287348872.db2.gz RYZICIJZTZNCMT-CQSZACIVSA-N 2 0 341.415 1.269 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418339884 304482942 /nfs/dbraw/zinc/48/29/42/304482942.db2.gz FOVBNQDCSCYBLR-MAUKXSAKSA-N 2 0 348.491 1.987 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418336063 304482669 /nfs/dbraw/zinc/48/26/69/304482669.db2.gz HXNHSUAJMWZGSC-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000166676096 226166526 /nfs/dbraw/zinc/16/65/26/226166526.db2.gz IOGQFISGKXKMSB-QZTJIDSGSA-N 2 0 331.460 1.402 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000120691777 221648831 /nfs/dbraw/zinc/64/88/31/221648831.db2.gz BGIVESKXUZNNPI-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)CCC)CC2)CC1 ZINC000122918607 222182972 /nfs/dbraw/zinc/18/29/72/222182972.db2.gz LFIQORVKGZMIEH-UHFFFAOYSA-N 2 0 331.526 1.655 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000130535622 287494733 /nfs/dbraw/zinc/49/47/33/287494733.db2.gz ZOCFVLPZFNGSHC-UHFFFAOYSA-N 2 0 334.464 1.194 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000188746971 272959048 /nfs/dbraw/zinc/95/90/48/272959048.db2.gz NTSGPSUWNMQOSG-DARAHFNDSA-N 2 0 327.444 1.034 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[NH+]2CCCC2)cc1 ZINC000189448586 272965204 /nfs/dbraw/zinc/96/52/04/272965204.db2.gz FDIAWUWBNBMSRQ-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH+](C)CCCO)CC1)c1ccccc1 ZINC000270389858 273023139 /nfs/dbraw/zinc/02/31/39/273023139.db2.gz RTHABJNKOQZMFZ-LJQANCHMSA-N 2 0 347.503 1.985 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCC1 ZINC000275407270 268338294 /nfs/dbraw/zinc/33/82/94/268338294.db2.gz FVITTWGNVAIACO-UHFFFAOYSA-N 2 0 344.503 1.869 20 0 EDADRP CC(=O)CCc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000275482543 268349487 /nfs/dbraw/zinc/34/94/87/268349487.db2.gz NHQJRNSAMGSYHB-RBUKOAKNSA-N 2 0 348.487 1.831 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000275866189 268379777 /nfs/dbraw/zinc/37/97/77/268379777.db2.gz NGRGLZZDQZNZJF-KZNAEPCWSA-N 2 0 333.476 1.641 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000273556391 273044237 /nfs/dbraw/zinc/04/42/37/273044237.db2.gz WMKSLYJHKYPFLO-UHFFFAOYSA-N 2 0 334.464 1.721 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275805479 273129189 /nfs/dbraw/zinc/12/91/89/273129189.db2.gz ICODZKLECWLBLJ-UHFFFAOYSA-N 2 0 332.492 1.757 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284168056 274103275 /nfs/dbraw/zinc/10/32/75/274103275.db2.gz USCQYZKVCLLGSL-SJORKVTESA-N 2 0 346.475 1.006 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284168045 274103316 /nfs/dbraw/zinc/10/33/16/274103316.db2.gz USCQYZKVCLLGSL-DLBZAZTESA-N 2 0 346.475 1.006 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000333890629 274954628 /nfs/dbraw/zinc/95/46/28/274954628.db2.gz YDCGZNATZZYLRO-BASYENTBSA-N 2 0 349.500 1.689 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](C)C[NH2+]C)cc2)CC1 ZINC000236885973 276196587 /nfs/dbraw/zinc/19/65/87/276196587.db2.gz MMWRTGQRVDSDOB-MRXNPFEDSA-N 2 0 332.492 1.296 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000414951435 276267338 /nfs/dbraw/zinc/26/73/38/276267338.db2.gz PUYAQMRFQLEYBA-HZPDHXFCSA-N 2 0 346.475 1.724 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccncc1 ZINC000080565237 276371041 /nfs/dbraw/zinc/37/10/41/276371041.db2.gz UZZMJRDZESPUMI-QGZVFWFLSA-N 2 0 333.480 1.639 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237315138 277029980 /nfs/dbraw/zinc/02/99/80/277029980.db2.gz VLPGRXUMEUVHDM-KRWDZBQOSA-N 2 0 332.492 1.166 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457891548 277150485 /nfs/dbraw/zinc/15/04/85/277150485.db2.gz BBBWISMGYIOXSL-MRXNPFEDSA-N 2 0 340.512 1.395 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332633392 277221594 /nfs/dbraw/zinc/22/15/94/277221594.db2.gz ZLRVIXVLOWUMFF-HOTGVXAUSA-N 2 0 343.537 1.796 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424141343 277385954 /nfs/dbraw/zinc/38/59/54/277385954.db2.gz XCQHARDLMRLUJP-OAHLLOKOSA-N 2 0 334.468 1.053 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000487574396 279108142 /nfs/dbraw/zinc/10/81/42/279108142.db2.gz MYAYCMLUSQDMBF-MRXNPFEDSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417025440 279287275 /nfs/dbraw/zinc/28/72/75/279287275.db2.gz RCLWRNLRDYXARG-SJLPKXTDSA-N 2 0 347.507 1.259 20 0 EDADRP C[C@@H]1C[N@H+](CCO[C@H]2CCCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000373073977 288180407 /nfs/dbraw/zinc/18/04/07/288180407.db2.gz IKNVDDBBLPAVMI-SQNIBIBYSA-N 2 0 325.497 1.487 20 0 EDADRP CC(C)[C@@H]1CN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1C ZINC000497159338 280014119 /nfs/dbraw/zinc/01/41/19/280014119.db2.gz JANAGPJQJODBFP-FUHWJXTLSA-N 2 0 336.480 1.133 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417885544 288217417 /nfs/dbraw/zinc/21/74/17/288217417.db2.gz GWZBRHFDIYFDCA-BFYDXBDKSA-N 2 0 330.476 1.886 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333847634 280283038 /nfs/dbraw/zinc/28/30/38/280283038.db2.gz MTBRGBIEZJSJOA-OAHLLOKOSA-N 2 0 334.464 1.315 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000290074078 288834500 /nfs/dbraw/zinc/83/45/00/288834500.db2.gz GGVLPOKYIUFCFC-ZWKOTPCHSA-N 2 0 330.476 1.796 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000292030665 289243595 /nfs/dbraw/zinc/24/35/95/289243595.db2.gz GTNZYINUMSVZOU-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237675493 297013962 /nfs/dbraw/zinc/01/39/62/297013962.db2.gz TUZBPVCVCWVLHL-BBWFWOEESA-N 2 0 325.497 1.996 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418535670 304508989 /nfs/dbraw/zinc/50/89/89/304508989.db2.gz HPXSBGAPZYTMFS-FFSVYQOJSA-N 2 0 338.402 1.319 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418555942 304512921 /nfs/dbraw/zinc/51/29/21/304512921.db2.gz OAEGKVZZAOQKQI-IRXDYDNUSA-N 2 0 348.491 1.780 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419706175 304667787 /nfs/dbraw/zinc/66/77/87/304667787.db2.gz CBPNGMZMGCQWEJ-CABCVRRESA-N 2 0 326.485 1.001 20 0 EDADRP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420297021 304745065 /nfs/dbraw/zinc/74/50/65/304745065.db2.gz YCOHBXDNDSYOLX-HNNXBMFYSA-N 2 0 325.497 1.996 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000664719779 453346757 /nfs/dbraw/zinc/34/67/57/453346757.db2.gz ZJVSMMMZWXZPJZ-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000303974766 303746131 /nfs/dbraw/zinc/74/61/31/303746131.db2.gz AZEQPXXTUPWRMU-GOSISDBHSA-N 2 0 348.491 1.963 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458386822 447339425 /nfs/dbraw/zinc/33/94/25/447339425.db2.gz WVYPKBAMMIGVBV-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414879611 447340242 /nfs/dbraw/zinc/34/02/42/447340242.db2.gz PHFAKBLFCAMNQV-KRWDZBQOSA-N 2 0 346.475 1.855 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000493574224 447345247 /nfs/dbraw/zinc/34/52/47/447345247.db2.gz ABWDZNTUOSXPHW-PMBGHPPTSA-N 2 0 345.487 1.758 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000422958842 304880946 /nfs/dbraw/zinc/88/09/46/304880946.db2.gz QEHUAZGCGWZPCA-GXTWGEPZSA-N 2 0 325.840 1.789 20 0 EDADRP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101773 304886269 /nfs/dbraw/zinc/88/62/69/304886269.db2.gz JHOHOQYWYRIQNO-IHMNZUQTSA-N 2 0 348.487 1.990 20 0 EDADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423209132 304889483 /nfs/dbraw/zinc/88/94/83/304889483.db2.gz URMIEGBZPLGCIX-GOSISDBHSA-N 2 0 328.464 1.213 20 0 EDADRP [NH3+]C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000423937842 304919667 /nfs/dbraw/zinc/91/96/67/304919667.db2.gz GSOQDYUIJKOYIS-QGZVFWFLSA-N 2 0 345.491 1.227 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424039339 304925904 /nfs/dbraw/zinc/92/59/04/304925904.db2.gz NPEGWNCTBWTRLV-RYQLBKOJSA-N 2 0 327.403 1.649 20 0 EDADRP CSC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000429286733 305027681 /nfs/dbraw/zinc/02/76/81/305027681.db2.gz SMAHLSSNINCYJC-CQSZACIVSA-N 2 0 325.522 1.804 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000429552225 305031866 /nfs/dbraw/zinc/03/18/66/305031866.db2.gz XEKIMMBTAQWVHH-KRWDZBQOSA-N 2 0 343.475 1.245 20 0 EDADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430608861 305058590 /nfs/dbraw/zinc/05/85/90/305058590.db2.gz GJIAZEMUSKNHIX-KRWDZBQOSA-N 2 0 333.476 1.859 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000430613276 305058948 /nfs/dbraw/zinc/05/89/48/305058948.db2.gz VAHGZUPBQWCZGD-UHFFFAOYSA-N 2 0 346.475 1.128 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCSc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621821 305059593 /nfs/dbraw/zinc/05/95/93/305059593.db2.gz KJGPUSVTMJIIGV-MRXNPFEDSA-N 2 0 333.501 1.923 20 0 EDADRP CN(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000430620612 305059689 /nfs/dbraw/zinc/05/96/89/305059689.db2.gz CDJGMKYRAZEAKR-QGZVFWFLSA-N 2 0 330.476 1.267 20 0 EDADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(C[NH3+])CC1 ZINC000430633552 305060309 /nfs/dbraw/zinc/06/03/09/305060309.db2.gz CAHNOPKTHHNEIH-HIFRSBDPSA-N 2 0 333.432 1.002 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430639930 305060743 /nfs/dbraw/zinc/06/07/43/305060743.db2.gz QFAJNNZECXFXEL-CQSZACIVSA-N 2 0 339.867 1.896 20 0 EDADRP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430639684 305060763 /nfs/dbraw/zinc/06/07/63/305060763.db2.gz IOELBDIZUOOFTJ-DZGCQCFKSA-N 2 0 343.431 1.585 20 0 EDADRP [NH3+]C[C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000430651205 305061451 /nfs/dbraw/zinc/06/14/51/305061451.db2.gz VWVFGTJIOKCZRX-LJQANCHMSA-N 2 0 344.503 1.569 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000430753288 305064220 /nfs/dbraw/zinc/06/42/20/305064220.db2.gz HXILBWHSYRAOBS-QGZVFWFLSA-N 2 0 335.423 1.285 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000430762617 305064326 /nfs/dbraw/zinc/06/43/26/305064326.db2.gz NWEYNEFPLINDRP-UHFFFAOYSA-N 2 0 334.464 1.682 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430934089 305069053 /nfs/dbraw/zinc/06/90/53/305069053.db2.gz KTCOKILOGBDNJS-UONOGXRCSA-N 2 0 349.475 1.768 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N(C)CCCOc2ccccc2)CC1 ZINC000430953368 305070536 /nfs/dbraw/zinc/07/05/36/305070536.db2.gz SZDWBKAAJQYSHO-MRXNPFEDSA-N 2 0 333.476 1.973 20 0 EDADRP COC(=O)C1(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CCC(C)CC1 ZINC000433120123 305100845 /nfs/dbraw/zinc/10/08/45/305100845.db2.gz XQDMMHIWUNIDKK-UHFFFAOYSA-N 2 0 339.480 1.428 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCCC(=O)N1)C1CC[NH+](C)CC1 ZINC000433188759 305102475 /nfs/dbraw/zinc/10/24/75/305102475.db2.gz QVHDQYSDORERGF-KRWDZBQOSA-N 2 0 344.503 1.975 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433338600 305106104 /nfs/dbraw/zinc/10/61/04/305106104.db2.gz WSCVWFAAZGQXBE-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385516 305107319 /nfs/dbraw/zinc/10/73/19/305107319.db2.gz BHRQVDRLJLMXLK-HOTGVXAUSA-N 2 0 348.495 1.587 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433385694 305107380 /nfs/dbraw/zinc/10/73/80/305107380.db2.gz YSKOEDCZGMVHQR-HUUCEWRRSA-N 2 0 348.495 1.443 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)NCC3CC3)C[C@@H]12 ZINC000435387240 305139568 /nfs/dbraw/zinc/13/95/68/305139568.db2.gz YPKAEEZDFUGMFO-KBAYOESNSA-N 2 0 343.471 1.761 20 0 EDADRP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435389952 305139792 /nfs/dbraw/zinc/13/97/92/305139792.db2.gz NNIHSQQKIOUAQV-MRXNPFEDSA-N 2 0 331.460 1.762 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000435858406 305148360 /nfs/dbraw/zinc/14/83/60/305148360.db2.gz OUCKWLMCZWLNAX-HNNXBMFYSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCCC[NH+]1CCOCC1 ZINC000438887668 305190493 /nfs/dbraw/zinc/19/04/93/305190493.db2.gz ZUXKBTJPWUFHKX-KRWDZBQOSA-N 2 0 344.459 1.266 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438888235 305190596 /nfs/dbraw/zinc/19/05/96/305190596.db2.gz BVVLZJKHTOZBED-ULFGMLNVSA-N 2 0 326.444 1.637 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440956981 305214650 /nfs/dbraw/zinc/21/46/50/305214650.db2.gz LQFKCBWVXYHLRN-WMZOPIPTSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1CC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC000442856763 305230281 /nfs/dbraw/zinc/23/02/81/305230281.db2.gz YZKVUXQKZMLJBI-SFHVURJKSA-N 2 0 340.512 1.022 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444266340 305244979 /nfs/dbraw/zinc/24/49/79/305244979.db2.gz NTFUAAUKSHXLGY-ICSRJNTNSA-N 2 0 342.487 1.315 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000444612275 305251705 /nfs/dbraw/zinc/25/17/05/305251705.db2.gz SWTYMTDAXFOSQB-KURKYZTESA-N 2 0 327.513 1.264 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCSC1 ZINC000445103430 305256318 /nfs/dbraw/zinc/25/63/18/305256318.db2.gz FLYLORQZWJDHGC-QGZVFWFLSA-N 2 0 342.553 1.845 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365060 305263839 /nfs/dbraw/zinc/26/38/39/305263839.db2.gz YUDTVJFOVFJIIC-MIALQEHNSA-N 2 0 349.519 1.709 20 0 EDADRP Cc1ccc(NC(=O)CC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)nc1 ZINC000447008333 305272690 /nfs/dbraw/zinc/27/26/90/305272690.db2.gz UXHJMMGLLHQDAI-INIZCTEOSA-N 2 0 348.491 1.743 20 0 EDADRP COC(=O)Cn1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)nn1 ZINC000449084812 305306007 /nfs/dbraw/zinc/30/60/07/305306007.db2.gz YYJDZSBCYXXKEF-GJZGRUSLSA-N 2 0 337.468 1.299 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449131763 305307418 /nfs/dbraw/zinc/30/74/18/305307418.db2.gz PIHHREFBODYWDT-ZBFHGGJFSA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000449322653 305311503 /nfs/dbraw/zinc/31/15/03/305311503.db2.gz YOFMYIIPMHJCGG-NVXWUHKLSA-N 2 0 333.476 1.879 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000497256731 305686570 /nfs/dbraw/zinc/68/65/70/305686570.db2.gz IJDLMAMHQOQQCI-KRWDZBQOSA-N 2 0 334.420 1.700 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898065 447355002 /nfs/dbraw/zinc/35/50/02/447355002.db2.gz XRAFXEKMYRKDLP-INIZCTEOSA-N 3 0 336.480 1.468 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC[NH+](C)CC1 ZINC000517719998 305755387 /nfs/dbraw/zinc/75/53/87/305755387.db2.gz QTWOVJIERARHHJ-MELADBBJSA-N 2 0 326.510 1.193 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CCCCC[NH2+]1 ZINC000520818626 305783446 /nfs/dbraw/zinc/78/34/46/305783446.db2.gz VQMZVQPXPSATQN-HNNXBMFYSA-N 2 0 325.522 1.996 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc([C@@H]2CCOC2)c1 ZINC000534209176 306004421 /nfs/dbraw/zinc/00/44/21/306004421.db2.gz JUMKGXHSEMBLFG-GOSISDBHSA-N 2 0 333.476 1.756 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548388096 306126148 /nfs/dbraw/zinc/12/61/48/306126148.db2.gz PVXROCKDINTAMO-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP Cc1cccnc1C(C)(C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555233020 306200590 /nfs/dbraw/zinc/20/05/90/306200590.db2.gz OJMWOXRBHYBDFQ-UHFFFAOYSA-N 2 0 349.523 1.802 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660833948 453595835 /nfs/dbraw/zinc/59/58/35/453595835.db2.gz JSFBCTNCSLXRCD-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP COCC1(C[NH2+][C@H](C)CS(=O)(=O)c2ccccc2)CC[NH2+]CC1 ZINC000414970709 447380027 /nfs/dbraw/zinc/38/00/27/447380027.db2.gz HTUFSWOQUGCVGO-OAHLLOKOSA-N 2 0 340.489 1.455 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000414980834 447383689 /nfs/dbraw/zinc/38/36/89/447383689.db2.gz WSYFRELBPLZCLC-CHWSQXEVSA-N 2 0 334.464 1.737 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041722 447383709 /nfs/dbraw/zinc/38/37/09/447383709.db2.gz HCLVUEFWKHZNTE-IIAWOOMASA-N 2 0 345.553 1.897 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)ccc1C ZINC000414987656 447386352 /nfs/dbraw/zinc/38/63/52/447386352.db2.gz KVXLBMDYTKNKSJ-APWZRJJASA-N 2 0 331.460 1.740 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000426116108 447390725 /nfs/dbraw/zinc/39/07/25/447390725.db2.gz SVMQHIGOASAHIY-SFHVURJKSA-N 2 0 334.508 1.288 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000458544918 447407035 /nfs/dbraw/zinc/40/70/35/447407035.db2.gz VPOHHNLEGRLMOU-IRXDYDNUSA-N 2 0 340.512 1.110 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000419794125 447416079 /nfs/dbraw/zinc/41/60/79/447416079.db2.gz DSXOPEAIWHRMLQ-HNNXBMFYSA-N 2 0 348.491 1.558 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415422131 447420823 /nfs/dbraw/zinc/42/08/23/447420823.db2.gz WBICLLMXHAQHTI-CQSZACIVSA-N 2 0 332.448 1.417 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000057559667 441122655 /nfs/dbraw/zinc/12/26/55/441122655.db2.gz ACRZPPWNHIZYOD-UHFFFAOYSA-N 2 0 334.420 1.435 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085363356 441433751 /nfs/dbraw/zinc/43/37/51/441433751.db2.gz JSXVESRCSGCARB-JKSUJKDBSA-N 2 0 342.528 1.619 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000112206245 441546323 /nfs/dbraw/zinc/54/63/23/441546323.db2.gz GLIZBZHUFNSHIJ-XWTMOSNGSA-N 2 0 337.508 1.819 20 0 EDADRP COC(=O)CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)CC(C)C ZINC000114455739 441658176 /nfs/dbraw/zinc/65/81/76/441658176.db2.gz FRKFBVDNMFWBLW-UHFFFAOYSA-N 2 0 341.496 1.497 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000076599251 441663501 /nfs/dbraw/zinc/66/35/01/441663501.db2.gz GXKQVPKZPUDZTI-HNNXBMFYSA-N 2 0 346.475 1.330 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173410145 441738763 /nfs/dbraw/zinc/73/87/63/441738763.db2.gz FBKOXPGFIFVWSJ-MSOLQXFVSA-N 2 0 332.492 1.907 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000121664204 441752927 /nfs/dbraw/zinc/75/29/27/441752927.db2.gz DBPSNHZHQKMLCU-UHFFFAOYSA-N 2 0 346.475 1.778 20 0 EDADRP CC(C)[NH+](C)CCNC(=O)C1(C(=O)NCC[N@@H+](C)C(C)C)CCC1 ZINC000137328545 441763624 /nfs/dbraw/zinc/76/36/24/441763624.db2.gz NPSOJTSKINCPRA-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000173603739 441801933 /nfs/dbraw/zinc/80/19/33/441801933.db2.gz JIMRHSNUBCVDBY-ZWKOTPCHSA-N 3 0 336.524 1.347 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000117027352 441862774 /nfs/dbraw/zinc/86/27/74/441862774.db2.gz XMDRXDLILBIIDA-KRWDZBQOSA-N 2 0 334.464 1.220 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000140211582 441835048 /nfs/dbraw/zinc/83/50/48/441835048.db2.gz UGSRCIGESDOMOI-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174319263 441912090 /nfs/dbraw/zinc/91/20/90/441912090.db2.gz JRQOUDRVOKJHLE-SJLPKXTDSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000120404721 442064997 /nfs/dbraw/zinc/06/49/97/442064997.db2.gz ZDGNRYFFAROZMV-INIZCTEOSA-N 2 0 333.476 1.964 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754207 442116422 /nfs/dbraw/zinc/11/64/22/442116422.db2.gz BHVZKLFYZUBLEX-KRWDZBQOSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(CN1CC[NH+](C2CCCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000162870832 442128018 /nfs/dbraw/zinc/12/80/18/442128018.db2.gz WLHKMTAIERXKHR-UHFFFAOYSA-N 2 0 348.535 1.680 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000170710737 442251562 /nfs/dbraw/zinc/25/15/62/442251562.db2.gz GOAKRCUCYJMEOT-UHFFFAOYSA-N 2 0 334.464 1.669 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000130700329 442354014 /nfs/dbraw/zinc/35/40/14/442354014.db2.gz QHHUGDMALGCLOK-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP CN1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)[C@H](c2ccccc2)C1 ZINC000153938433 442312043 /nfs/dbraw/zinc/31/20/43/442312043.db2.gz HOQUKJHHIAHLMM-SJORKVTESA-N 2 0 333.501 1.939 20 0 EDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000922 442384945 /nfs/dbraw/zinc/38/49/45/442384945.db2.gz KEYUSOHENPNGSY-HOTGVXAUSA-N 2 0 331.526 1.464 20 0 EDADRP CC[C@H](C)C[N@H+](CC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000177860358 442391496 /nfs/dbraw/zinc/39/14/96/442391496.db2.gz OLWFOJLPSSJNDX-DLBZAZTESA-N 2 0 327.513 1.827 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[C@H]1Cn1ccnc1)CN1CCOCC1 ZINC000177541592 442355605 /nfs/dbraw/zinc/35/56/05/442355605.db2.gz BCEWNWJRGWJOFG-HOTGVXAUSA-N 2 0 335.452 1.025 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC000130984229 442361334 /nfs/dbraw/zinc/36/13/34/442361334.db2.gz MLBKGIJVEBYVKI-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)[C@H](C)C1 ZINC000133287095 442411185 /nfs/dbraw/zinc/41/11/85/442411185.db2.gz OFOYDAIQWGGDFB-WBVHZDCISA-N 2 0 345.553 1.757 20 0 EDADRP COCCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562496 442475498 /nfs/dbraw/zinc/47/54/98/442475498.db2.gz JUJQICRCPRVZNL-HUUCEWRRSA-N 2 0 329.485 1.942 20 0 EDADRP CCO[C@H](C)c1noc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178982205 442543747 /nfs/dbraw/zinc/54/37/47/442543747.db2.gz KZSUQQUQIVDCCI-CQSZACIVSA-N 2 0 337.468 1.284 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178890641 442516806 /nfs/dbraw/zinc/51/68/06/442516806.db2.gz BLSGYLORRBWWTM-SJORKVTESA-N 2 0 330.476 1.455 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000186724294 442601715 /nfs/dbraw/zinc/60/17/15/442601715.db2.gz UQVSLVHOPMDKDV-AEFFLSMTSA-N 2 0 330.476 1.313 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000186565692 442563189 /nfs/dbraw/zinc/56/31/89/442563189.db2.gz IKDIFNWNDUQHBP-GOSISDBHSA-N 2 0 345.535 1.662 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000157993875 442635218 /nfs/dbraw/zinc/63/52/18/442635218.db2.gz INVNAFAVHMYBKX-AEFFLSMTSA-N 2 0 330.476 1.442 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000186893474 442627123 /nfs/dbraw/zinc/62/71/23/442627123.db2.gz IJCWNZDJQHNTNX-OAHLLOKOSA-N 2 0 325.497 1.410 20 0 EDADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)cc(=O)[nH]1 ZINC000181576345 442705028 /nfs/dbraw/zinc/70/50/28/442705028.db2.gz KXUMFCZPPWJFCR-KRWDZBQOSA-N 2 0 348.491 1.425 20 0 EDADRP C[C@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000192559097 442662539 /nfs/dbraw/zinc/66/25/39/442662539.db2.gz MZNPCLWTNKEZJS-ZYSHUDEJSA-N 2 0 345.487 1.899 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](CC2CCC2)C(C)C)C1 ZINC000193202857 442721950 /nfs/dbraw/zinc/72/19/50/442721950.db2.gz AGWKOJYSTWNPOG-SFHVURJKSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H](CCNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000188791221 442814006 /nfs/dbraw/zinc/81/40/06/442814006.db2.gz GYWQRTOQZIYWBY-AWEZNQCLSA-N 2 0 341.459 1.696 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247164165 442838743 /nfs/dbraw/zinc/83/87/43/442838743.db2.gz UXWFHWDUMGLCFQ-DLBZAZTESA-N 2 0 338.496 1.082 20 0 EDADRP CC[C@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182969091 442857394 /nfs/dbraw/zinc/85/73/94/442857394.db2.gz LADYBHOREPVOFO-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189006994 442859853 /nfs/dbraw/zinc/85/98/53/442859853.db2.gz GVNONDMOQZNLCT-BBRMVZONSA-N 2 0 325.403 1.868 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C)s1 ZINC000182955939 442854845 /nfs/dbraw/zinc/85/48/45/442854845.db2.gz ICTGOOCVBPVYSW-UHFFFAOYSA-N 2 0 339.505 1.912 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCOCC1 ZINC000181834356 318491038 /nfs/dbraw/zinc/49/10/38/318491038.db2.gz PGNYHIGICDIEMR-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265853659 442945893 /nfs/dbraw/zinc/94/58/93/442945893.db2.gz YXYWUFQGJUPSRT-UHOSZYNNSA-N 2 0 345.487 1.734 20 0 EDADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000266034650 442996753 /nfs/dbraw/zinc/99/67/53/442996753.db2.gz TYGLVLBGVUWXCT-INIZCTEOSA-N 2 0 328.460 1.770 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000249091233 442951155 /nfs/dbraw/zinc/95/11/55/442951155.db2.gz GYIVYVFSIPLQTA-HUUCEWRRSA-N 2 0 328.501 1.203 20 0 EDADRP COc1nccnc1C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000294958104 318632790 /nfs/dbraw/zinc/63/27/90/318632790.db2.gz FSHDJJJTFCQVIQ-UHFFFAOYSA-N 2 0 330.432 1.758 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000266132073 443028558 /nfs/dbraw/zinc/02/85/58/443028558.db2.gz CPEXNGGYHIDWCX-UHFFFAOYSA-N 2 0 337.464 1.325 20 0 EDADRP CC(C)[NH2+]C1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184600541 443047736 /nfs/dbraw/zinc/04/77/36/443047736.db2.gz LYLWGSGMFWWMEI-LJQANCHMSA-N 2 0 346.519 1.868 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](CC2CC2)CC1)c1ccccc1 ZINC000184950329 443105065 /nfs/dbraw/zinc/10/50/65/443105065.db2.gz HGCQTNRWGUMKCI-IBGZPJMESA-N 2 0 344.503 1.433 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCS1 ZINC000266594050 443179610 /nfs/dbraw/zinc/17/96/10/443179610.db2.gz RKMHHFNGHXMGCC-MRXNPFEDSA-N 2 0 334.489 1.606 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237889464 443186326 /nfs/dbraw/zinc/18/63/26/443186326.db2.gz XKPNWLZMVGJVNO-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[N@H+](C)C1CC1 ZINC000266763129 443232575 /nfs/dbraw/zinc/23/25/75/443232575.db2.gz DUQIUQAWAUHDMS-HNNXBMFYSA-N 2 0 344.503 1.868 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262707253 443208331 /nfs/dbraw/zinc/20/83/31/443208331.db2.gz NFZAEFJQWPAADV-IAGOWNOFSA-N 2 0 346.475 1.128 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262771306 443211784 /nfs/dbraw/zinc/21/17/84/443211784.db2.gz MJSOSYLZQWCDBZ-YYIAUSFCSA-N 2 0 347.507 1.904 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(OC)c1 ZINC000358503740 319112850 /nfs/dbraw/zinc/11/28/50/319112850.db2.gz GFRSTWYFBMEXEN-UHFFFAOYSA-N 2 0 333.432 1.718 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000397522900 319135558 /nfs/dbraw/zinc/13/55/58/319135558.db2.gz VMFMNWPQUWQNLH-CABCVRRESA-N 2 0 341.496 1.726 20 0 EDADRP CCCNC(=O)CCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000411222283 319170870 /nfs/dbraw/zinc/17/08/70/319170870.db2.gz NTKQEJPLBSQOFK-HDICACEKSA-N 2 0 338.540 1.783 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269253967 443252184 /nfs/dbraw/zinc/25/21/84/443252184.db2.gz QYOUOUQGAOXBGN-MRXNPFEDSA-N 2 0 349.500 1.861 20 0 EDADRP COC(=O)[C@H]1C[C@@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624591 319190272 /nfs/dbraw/zinc/19/02/72/319190272.db2.gz YISXSNQBGUAGKD-QZTJIDSGSA-N 2 0 332.444 1.781 20 0 EDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000414201939 319318779 /nfs/dbraw/zinc/31/87/79/319318779.db2.gz SYZCXFLNSKTZKM-ZWKOTPCHSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193385 319318796 /nfs/dbraw/zinc/31/87/96/319318796.db2.gz MRSQNYSIIIAROP-FGTMMUONSA-N 3 0 338.540 1.101 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269265601 443257786 /nfs/dbraw/zinc/25/77/86/443257786.db2.gz YOVLNMVTBBYBBF-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000414659706 319338019 /nfs/dbraw/zinc/33/80/19/319338019.db2.gz LMMIJRBPLHXTRP-UHFFFAOYSA-N 2 0 332.448 1.337 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000414679482 319340750 /nfs/dbraw/zinc/34/07/50/319340750.db2.gz ZXUYRSINGSTEAS-KRWDZBQOSA-N 2 0 340.427 1.503 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@@H](c3cccc(F)c3)C2)C1 ZINC000414689737 319342707 /nfs/dbraw/zinc/34/27/07/319342707.db2.gz GSVAZIZEPJZFSI-WMLDXEAASA-N 2 0 335.423 1.396 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CC[NH2+]1 ZINC000414690623 319342962 /nfs/dbraw/zinc/34/29/62/319342962.db2.gz NEDLWZBHLUDWLX-ZIAGYGMSSA-N 2 0 327.423 1.784 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000414693088 319343345 /nfs/dbraw/zinc/34/33/45/319343345.db2.gz BSUGQOASYKUWTJ-ZIAGYGMSSA-N 2 0 332.448 1.635 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[NH2+]1 ZINC000415085132 319346195 /nfs/dbraw/zinc/34/61/95/319346195.db2.gz QHXBCTSNQMYURT-BRWVUGGUSA-N 2 0 331.460 1.644 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[NH2+]1 ZINC000415085134 319346256 /nfs/dbraw/zinc/34/62/56/319346256.db2.gz QHXBCTSNQMYURT-IKGGRYGDSA-N 2 0 331.460 1.644 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)C1 ZINC000415084724 319346393 /nfs/dbraw/zinc/34/63/93/319346393.db2.gz HMPXGCCEQAPOIB-KRWDZBQOSA-N 3 0 330.476 1.226 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415304021 319360556 /nfs/dbraw/zinc/36/05/56/319360556.db2.gz GRZVHBOZFSGDFI-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000415726935 319367024 /nfs/dbraw/zinc/36/70/24/319367024.db2.gz QBARBSVKCPAGKV-IBGZPJMESA-N 2 0 344.459 1.289 20 0 EDADRP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C(C)(C)C[NH+](C)C ZINC000415958714 319384839 /nfs/dbraw/zinc/38/48/39/319384839.db2.gz MCUYIIDHLBYNSK-GXTWGEPZSA-N 2 0 333.480 1.995 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269308705 443276701 /nfs/dbraw/zinc/27/67/01/443276701.db2.gz VKBFUJNWHCDMLU-IBGZPJMESA-N 2 0 330.476 1.762 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000185810079 443261923 /nfs/dbraw/zinc/26/19/23/443261923.db2.gz GHXWATWAXYEQOC-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP CCOCCN1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191483861 443301363 /nfs/dbraw/zinc/30/13/63/443301363.db2.gz QOFNUBWMXMHELF-UHFFFAOYSA-N 2 0 326.529 1.057 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000416887060 319469426 /nfs/dbraw/zinc/46/94/26/319469426.db2.gz HRBPZQFIXMJMNQ-ZWKOTPCHSA-N 2 0 346.475 1.052 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000267345536 443425957 /nfs/dbraw/zinc/42/59/57/443425957.db2.gz QPCQVPSJPFFOLL-UHFFFAOYSA-N 2 0 334.464 1.452 20 0 EDADRP CC[N@H+](CC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)C1CC1 ZINC000269705911 443403926 /nfs/dbraw/zinc/40/39/26/443403926.db2.gz SIGRHEQIKGJOFZ-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000422732277 319734651 /nfs/dbraw/zinc/73/46/51/319734651.db2.gz NXVHSOJNYSPAPQ-DOTOQJQBSA-N 2 0 327.432 1.739 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CCOC1 ZINC000267475244 443470647 /nfs/dbraw/zinc/47/06/47/443470647.db2.gz ZAAVWGCXGCDPDI-QRQLOZEOSA-N 2 0 345.487 1.734 20 0 EDADRP CC1CC[NH+](CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423341048 319765603 /nfs/dbraw/zinc/76/56/03/319765603.db2.gz WKLZZPOGEOHUJE-HNNXBMFYSA-N 2 0 333.480 1.349 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)COC3CC[NH2+]CC3)C2)CC1 ZINC000423358476 319765920 /nfs/dbraw/zinc/76/59/20/319765920.db2.gz NLCOCWIHILEZRN-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383931 319768909 /nfs/dbraw/zinc/76/89/09/319768909.db2.gz JQNCZPYRKIFYFF-GXTWGEPZSA-N 2 0 331.386 1.223 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000423389604 319770058 /nfs/dbraw/zinc/77/00/58/319770058.db2.gz VFQVPAFNOSXNPJ-CJNGLKHVSA-N 2 0 333.432 1.219 20 0 EDADRP CC(C)CN(C(=O)COC1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000423761837 319812404 /nfs/dbraw/zinc/81/24/04/319812404.db2.gz PGMJQYSQKFFMLI-UHFFFAOYSA-N 2 0 325.497 1.852 20 0 EDADRP Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1-n1cnnn1 ZINC000433137532 319971492 /nfs/dbraw/zinc/97/14/92/319971492.db2.gz OOFYZFQDVWIVDI-UHFFFAOYSA-N 2 0 343.435 1.113 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440341374 320072314 /nfs/dbraw/zinc/07/23/14/320072314.db2.gz MIBHLIFVKJFQQB-UHFFFAOYSA-N 2 0 331.489 1.932 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449361386 320184323 /nfs/dbraw/zinc/18/43/23/320184323.db2.gz JGJNNOGHFCDRPX-NVXWUHKLSA-N 2 0 325.497 1.900 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC(=O)N(CC)C2)CC1 ZINC000449516505 320193248 /nfs/dbraw/zinc/19/32/48/320193248.db2.gz GMZXXPLLGOHPHK-SFHVURJKSA-N 2 0 344.503 1.929 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275193 320261716 /nfs/dbraw/zinc/26/17/16/320261716.db2.gz WQIYUICJMODPRR-QRVBRYPASA-N 2 0 341.540 1.560 20 0 EDADRP C[C@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cc[nH]c(=O)c1 ZINC000458827456 320342469 /nfs/dbraw/zinc/34/24/69/320342469.db2.gz CDQGKSJLQLXJKF-AWEZNQCLSA-N 2 0 349.479 1.516 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000515063322 320431029 /nfs/dbraw/zinc/43/10/29/320431029.db2.gz RZANZHHWXLDHPB-IRXDYDNUSA-N 2 0 336.524 1.392 20 0 EDADRP Cn1cc(C(=O)NC2CCC(C[NH+](C)C)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000516562290 320438284 /nfs/dbraw/zinc/43/82/84/320438284.db2.gz FUYIXXQWLFRSFM-HWOWSKLDSA-N 2 0 347.507 1.737 20 0 EDADRP C[NH+](C)CCOc1cnccc1C[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000517360879 320448750 /nfs/dbraw/zinc/44/87/50/320448750.db2.gz BMBXDZFINHODMA-GOSISDBHSA-N 2 0 347.434 1.854 20 0 EDADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000280804915 443746796 /nfs/dbraw/zinc/74/67/96/443746796.db2.gz HPEMORRZLNHDHG-QGZVFWFLSA-N 2 0 327.476 1.906 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(-n2ccnc2)ccn1 ZINC000288280181 443830744 /nfs/dbraw/zinc/83/07/44/443830744.db2.gz HGMQLJLAPXZUSH-ZBFHGGJFSA-N 2 0 325.416 1.966 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293010638 443901411 /nfs/dbraw/zinc/90/14/11/443901411.db2.gz PRCLGFKCDQQDEW-UYAOXDASSA-N 2 0 348.487 1.990 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C[NH+](C)C ZINC000293225642 443956732 /nfs/dbraw/zinc/95/67/32/443956732.db2.gz QGGATFPFDJYJJH-CQSZACIVSA-N 2 0 334.464 1.043 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000561124830 321034108 /nfs/dbraw/zinc/03/41/08/321034108.db2.gz BDGVSRGHHOEASB-SFHVURJKSA-N 2 0 345.491 1.863 20 0 EDADRP C[C@@H]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2nccn21 ZINC000562731374 321073807 /nfs/dbraw/zinc/07/38/07/321073807.db2.gz LYUVNEUXDPWCSU-DOMZBBRYSA-N 2 0 334.445 1.929 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC1CC[NH2+]CC1 ZINC000562811711 321077656 /nfs/dbraw/zinc/07/76/56/321077656.db2.gz BKHZSJNJFVAIRG-UHFFFAOYSA-N 2 0 349.479 1.211 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000562817073 321078686 /nfs/dbraw/zinc/07/86/86/321078686.db2.gz RMOCGDPFOKCIFU-KSZLIROESA-N 2 0 328.460 1.497 20 0 EDADRP Cc1ccc(C2(CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])CC2)c(C)c1 ZINC000562818499 321078766 /nfs/dbraw/zinc/07/87/66/321078766.db2.gz RIWCFUCHWMBJHH-INIZCTEOSA-N 2 0 330.476 1.619 20 0 EDADRP CCC(=O)N1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000564824358 321150144 /nfs/dbraw/zinc/15/01/44/321150144.db2.gz IZGSEXMQRCFSDT-QOKNQOGYSA-N 2 0 329.444 1.843 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000565647599 321194728 /nfs/dbraw/zinc/19/47/28/321194728.db2.gz XADFWSVKTIBADA-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000565764916 321199786 /nfs/dbraw/zinc/19/97/86/321199786.db2.gz WGDRYURRGKWZTG-CALCHBBNSA-N 2 0 349.523 1.081 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000567725870 321254626 /nfs/dbraw/zinc/25/46/26/321254626.db2.gz MNURBBNRSGPUNW-HNNXBMFYSA-N 2 0 332.510 1.028 20 0 EDADRP CC[C@]1(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)CCC[NH2+]1 ZINC000567982661 321271283 /nfs/dbraw/zinc/27/12/83/321271283.db2.gz IIDOKCFOUTZYME-YVWKXTFCSA-N 2 0 345.487 1.924 20 0 EDADRP CC(C)OC[C@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000568741140 321303942 /nfs/dbraw/zinc/30/39/42/321303942.db2.gz NTCQCBKDXCVMIG-LJQANCHMSA-N 2 0 335.492 1.310 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000570934120 321364669 /nfs/dbraw/zinc/36/46/69/321364669.db2.gz GKKWNSMVHGCDMX-BEFAXECRSA-N 2 0 344.503 1.424 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[NH+]2CCC(C)CC2)CC1 ZINC000571096340 321371054 /nfs/dbraw/zinc/37/10/54/321371054.db2.gz WNASUASKUGULDH-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)ccc1C[NH+](C)C ZINC000571263123 321380751 /nfs/dbraw/zinc/38/07/51/321380751.db2.gz JQYSUMMBLYWXNX-OAHLLOKOSA-N 2 0 346.475 1.596 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[NH2+][C@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571554644 321391805 /nfs/dbraw/zinc/39/18/05/321391805.db2.gz FMMZMBQZLDSYAT-OFQRWUPVSA-N 2 0 348.466 1.753 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)CC1 ZINC000571670677 321396332 /nfs/dbraw/zinc/39/63/32/321396332.db2.gz FPIZPNXWVHAULI-ZWKOTPCHSA-N 2 0 332.492 1.001 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C ZINC000572054656 321412367 /nfs/dbraw/zinc/41/23/67/321412367.db2.gz ZIQOIUCVNUNKIQ-HUUCEWRRSA-N 2 0 341.496 1.591 20 0 EDADRP C[C@H](C[NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000285875087 444137630 /nfs/dbraw/zinc/13/76/30/444137630.db2.gz BSFLHLSEFSEYME-IAGOWNOFSA-N 2 0 345.491 1.037 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)oc1C ZINC000289435539 444143280 /nfs/dbraw/zinc/14/32/80/444143280.db2.gz OAUUUVWEAIFNON-UHFFFAOYSA-N 2 0 325.453 1.690 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000289485456 444155423 /nfs/dbraw/zinc/15/54/23/444155423.db2.gz SCWWRPFOXFUEAS-UHFFFAOYSA-N 2 0 334.508 1.704 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000289630826 444183105 /nfs/dbraw/zinc/18/31/05/444183105.db2.gz BNIUXFIOJDWAGZ-KRWDZBQOSA-N 2 0 347.459 1.934 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000290176287 444251582 /nfs/dbraw/zinc/25/15/82/444251582.db2.gz PGFHEHSDDUCMJZ-RBUKOAKNSA-N 2 0 345.487 1.648 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000577083474 321621997 /nfs/dbraw/zinc/62/19/97/321621997.db2.gz YSAQRHVIGQOOIJ-OKYOBFRVSA-N 2 0 344.503 1.847 20 0 EDADRP C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303319561 444236597 /nfs/dbraw/zinc/23/65/97/444236597.db2.gz USRWMJFKGHQYAH-JKSUJKDBSA-N 2 0 325.497 1.412 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000290080912 444239660 /nfs/dbraw/zinc/23/96/60/444239660.db2.gz WDLLLCSXAWYZRA-CVEARBPZSA-N 2 0 349.475 1.640 20 0 EDADRP C[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[NH+]1CCCC1 ZINC000577266478 321637851 /nfs/dbraw/zinc/63/78/51/321637851.db2.gz QRSYTQWJUGJORD-ZBFHGGJFSA-N 2 0 325.522 1.804 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000304294903 444245640 /nfs/dbraw/zinc/24/56/40/444245640.db2.gz FFTFCCVNCARGRZ-AKHDSKFASA-N 2 0 339.524 1.264 20 0 EDADRP C[C@@H]1CN(c2ccccc2C[NH2+]CCCN2CC[NH+](C)CC2)CCO1 ZINC000297596499 444306393 /nfs/dbraw/zinc/30/63/93/444306393.db2.gz JOWLXDLQDZLCPX-GOSISDBHSA-N 2 0 346.519 1.639 20 0 EDADRP CC[NH2+]CCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000577486361 321656585 /nfs/dbraw/zinc/65/65/85/321656585.db2.gz OWGOWKRAIVLMNS-UHFFFAOYSA-N 2 0 340.512 1.568 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000577594603 321665376 /nfs/dbraw/zinc/66/53/76/321665376.db2.gz GEYOJLWJBOAZKZ-GUYCJALGSA-N 2 0 344.459 1.577 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000578005199 321705418 /nfs/dbraw/zinc/70/54/18/321705418.db2.gz PUGGZNNIKQDQJK-YOEHRIQHSA-N 2 0 337.489 1.704 20 0 EDADRP COCCOC[C@H](O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000311224360 444292630 /nfs/dbraw/zinc/29/26/30/444292630.db2.gz PDCDHPVRMMFOSM-XUVXKRRUSA-N 2 0 348.487 1.464 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297498745 444293822 /nfs/dbraw/zinc/29/38/22/444293822.db2.gz MJUVIFDFSIVOOO-UHFFFAOYSA-N 2 0 345.447 1.369 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000323563506 444343828 /nfs/dbraw/zinc/34/38/28/444343828.db2.gz URYADFNTHKKRDK-LJQANCHMSA-N 2 0 331.460 1.347 20 0 EDADRP CCC1(C)CC[NH+](CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000337699537 444360632 /nfs/dbraw/zinc/36/06/32/444360632.db2.gz VNGZESWAGYIQCO-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000331027887 444364834 /nfs/dbraw/zinc/36/48/34/444364834.db2.gz WJBNNGPJOORIDL-XHSDSOJGSA-N 2 0 325.497 1.599 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497657 321783750 /nfs/dbraw/zinc/78/37/50/321783750.db2.gz RUUPTNCJNBAONW-IAGOWNOFSA-N 2 0 345.491 1.098 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000578507436 321786203 /nfs/dbraw/zinc/78/62/03/321786203.db2.gz QQRNQQWPAGOQNG-CABCVRRESA-N 2 0 346.475 1.141 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000327526548 444383077 /nfs/dbraw/zinc/38/30/77/444383077.db2.gz IYDJLHOLWFEYOR-WDSOQIARSA-N 2 0 346.519 1.711 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000337831019 444428302 /nfs/dbraw/zinc/42/83/02/444428302.db2.gz ZZNRAZDTGLZDJJ-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000340537616 444429651 /nfs/dbraw/zinc/42/96/51/444429651.db2.gz VOXXRMHSUYXPJR-LBPRGKRZSA-N 2 0 340.265 1.851 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000580572453 322070310 /nfs/dbraw/zinc/07/03/10/322070310.db2.gz XCSPYTKHWKYNMS-QGZVFWFLSA-N 2 0 347.507 1.981 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000581120600 322138129 /nfs/dbraw/zinc/13/81/29/322138129.db2.gz VDKAVRMUVJFKBL-ZACQAIPSSA-N 2 0 339.528 1.075 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)nn1 ZINC000581179252 322145071 /nfs/dbraw/zinc/14/50/71/322145071.db2.gz XCTAHSMISZAQGS-HNNXBMFYSA-N 2 0 329.404 1.345 20 0 EDADRP CC(C)c1ccc(CCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000581305381 322161356 /nfs/dbraw/zinc/16/13/56/322161356.db2.gz GNIRBTILKDEQFL-FQEVSTJZSA-N 2 0 333.520 1.941 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000581306150 322161680 /nfs/dbraw/zinc/16/16/80/322161680.db2.gz SGBXBMLHFHAVML-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000340822583 444527103 /nfs/dbraw/zinc/52/71/03/444527103.db2.gz NPMJTWFMCZTBNB-SJORKVTESA-N 2 0 340.512 1.110 20 0 EDADRP CCC[NH+](C)CC(=O)N1CCC[C@H](CNC(=O)C[N@@H+](C)CCC)C1 ZINC000343707549 444533879 /nfs/dbraw/zinc/53/38/79/444533879.db2.gz OXXQTBOPZLQFBW-MRXNPFEDSA-N 2 0 340.512 1.025 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCCC1)C[NH+]1CCN(C)CC1 ZINC000340848665 444541953 /nfs/dbraw/zinc/54/19/53/444541953.db2.gz IVSRAMQKPOVHDX-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1F ZINC000343717622 444542941 /nfs/dbraw/zinc/54/29/41/444542941.db2.gz QKIUCJUQJMWISE-UHFFFAOYSA-N 2 0 334.439 1.948 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333014339 444629543 /nfs/dbraw/zinc/62/95/43/444629543.db2.gz WBDUFPHXDWJXRE-MVJTYMMSSA-N 2 0 337.508 1.743 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000340956089 444596361 /nfs/dbraw/zinc/59/63/61/444596361.db2.gz QXJNGHMSAKGWDG-RDJZCZTQSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)c2ccncc2n1 ZINC000343803435 444601314 /nfs/dbraw/zinc/60/13/14/444601314.db2.gz IBRAPZYKJKBCLK-UONOGXRCSA-N 2 0 330.480 2.354 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000341059572 444658104 /nfs/dbraw/zinc/65/81/04/444658104.db2.gz XEXMLYBXSHODGR-SJORKVTESA-N 3 0 341.544 1.384 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000341187152 444716907 /nfs/dbraw/zinc/71/69/07/444716907.db2.gz CGNCYVIZQDBDQF-CABCVRRESA-N 2 0 326.485 1.221 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000333920387 444718750 /nfs/dbraw/zinc/71/87/50/444718750.db2.gz PVXOGWXQUJGNMM-VHPHOLNESA-N 2 0 342.487 1.758 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344023120 444733716 /nfs/dbraw/zinc/73/37/16/444733716.db2.gz HMMFJSKMPNJZIT-KRWDZBQOSA-N 2 0 326.529 1.449 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000341199392 444723996 /nfs/dbraw/zinc/72/39/96/444723996.db2.gz KJLHJXBXEXAYEG-UHFFFAOYSA-N 2 0 342.528 1.718 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CN(C)C[C@H]2C)c1 ZINC000344050143 444750845 /nfs/dbraw/zinc/75/08/45/444750845.db2.gz BJYYPXWUGLKARR-APWZRJJASA-N 2 0 335.492 1.683 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000334027172 444751933 /nfs/dbraw/zinc/75/19/33/444751933.db2.gz HXZIGGQGFZSQDN-UONOGXRCSA-N 2 0 333.480 1.889 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)nn1 ZINC000342805785 444874416 /nfs/dbraw/zinc/87/44/16/444874416.db2.gz JOFUAFXXCCKSAN-GOEBONIOSA-N 2 0 349.479 1.697 20 0 EDADRP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000330233950 444899659 /nfs/dbraw/zinc/89/96/59/444899659.db2.gz YCUVKXIYKGWITF-KBPBESRZSA-N 2 0 334.468 1.706 20 0 EDADRP CN(CCC[NH+]1CCCC1)CC(=O)NCc1cc(F)cc(F)c1 ZINC000337270017 445009694 /nfs/dbraw/zinc/00/96/94/445009694.db2.gz MJTCULQHVRWBDG-UHFFFAOYSA-N 2 0 325.403 1.999 20 0 EDADRP CN(CCC[NH+]1CCCC1)CC(=O)NC[C@@H]1COc2ccccc2O1 ZINC000337278219 445013464 /nfs/dbraw/zinc/01/34/64/445013464.db2.gz SLQLDVOJNPAWOO-MRXNPFEDSA-N 2 0 347.459 1.360 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C(=O)NCCF)CC1 ZINC000337292438 445019308 /nfs/dbraw/zinc/01/93/08/445019308.db2.gz MVSFPQGRVZYBOH-HNNXBMFYSA-N 2 0 336.455 1.392 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCCC[C@H]2C)C1 ZINC000337376917 445054574 /nfs/dbraw/zinc/05/45/74/445054574.db2.gz SCYPOXNFMWFUJK-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000337376918 445054879 /nfs/dbraw/zinc/05/48/79/445054879.db2.gz SCYPOXNFMWFUJK-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341915680 445070285 /nfs/dbraw/zinc/07/02/85/445070285.db2.gz DGIAEIKMPVHGCQ-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000341936713 445081939 /nfs/dbraw/zinc/08/19/39/445081939.db2.gz ANUIONSRGBNMPT-IVMMDQJWSA-N 2 0 326.510 1.206 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC[N@@H+](C2CCC2)C1 ZINC000344717969 445136458 /nfs/dbraw/zinc/13/64/58/445136458.db2.gz CEWTXVHJEIIILC-GOEBONIOSA-N 2 0 325.522 1.757 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343168946 445111193 /nfs/dbraw/zinc/11/11/93/445111193.db2.gz AVBWDTNHMVXPDQ-RTBURBONSA-N 2 0 342.487 1.330 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000343269889 445171208 /nfs/dbraw/zinc/17/12/08/445171208.db2.gz CSYMDEGZLHFPLT-HOJAQTOUSA-N 2 0 330.520 1.905 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000342065271 445153780 /nfs/dbraw/zinc/15/37/80/445153780.db2.gz MJHUYKXFAXSGQE-AWEZNQCLSA-N 2 0 337.439 1.472 20 0 EDADRP COC[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC(C)(C)O1 ZINC000343338591 445204693 /nfs/dbraw/zinc/20/46/93/445204693.db2.gz DSQIVTNPSRFHBV-QGZVFWFLSA-N 2 0 327.513 1.528 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)[N@H+](C)C1 ZINC000346533522 445217836 /nfs/dbraw/zinc/21/78/36/445217836.db2.gz NQDGOJSYJSVPTI-BZUAXINKSA-N 2 0 328.501 1.323 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2Cn2ccnc2)[N@H+](C)C1 ZINC000343326276 445199850 /nfs/dbraw/zinc/19/98/50/445199850.db2.gz WNAWCCNOMCQOJE-IRXDYDNUSA-N 2 0 328.416 1.267 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2nccnc2n1 ZINC000343428785 445220916 /nfs/dbraw/zinc/22/09/16/445220916.db2.gz NETAABVKKSHQJA-UHFFFAOYSA-N 2 0 344.463 1.370 20 0 EDADRP CC(C)N1CC[C@H]([N@H+](C)C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)C1=O ZINC000346910799 445227640 /nfs/dbraw/zinc/22/76/40/445227640.db2.gz CWIOHASPKZSCKR-SZMVWBNQSA-N 2 0 347.507 1.744 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000343490555 445233249 /nfs/dbraw/zinc/23/32/49/445233249.db2.gz AQHYFJVVJVZJGK-DOTOQJQBSA-N 2 0 333.480 1.194 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H]([NH3+])CCC(=O)OC)cc1 ZINC000343518404 445237567 /nfs/dbraw/zinc/23/75/67/445237567.db2.gz LHMBAGHUPXAKFS-JKSUJKDBSA-N 2 0 333.432 1.002 20 0 EDADRP CN(CCC[NH+]1CCCC1)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000343624565 445267946 /nfs/dbraw/zinc/26/79/46/445267946.db2.gz QEPQOTLKBJNIHU-UHFFFAOYSA-N 2 0 332.496 1.146 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CCC[N@@H+]1C ZINC000343599080 445257562 /nfs/dbraw/zinc/25/75/62/445257562.db2.gz JIHGEVSZEOZWMW-CRAIPNDOSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@H](CN1CCOCC1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348333392 445260231 /nfs/dbraw/zinc/26/02/31/445260231.db2.gz YOZIFGVIPYITPX-RLLQIKCJSA-N 2 0 329.488 1.771 20 0 EDADRP [NH3+]CC1CCC(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000343609704 445261883 /nfs/dbraw/zinc/26/18/83/445261883.db2.gz WXZCFHJPPHHCEE-KVULBXGLSA-N 2 0 328.460 1.919 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@H](C)C1 ZINC000351793073 445323950 /nfs/dbraw/zinc/32/39/50/445323950.db2.gz MSAUPMUPYNICLY-HUUCEWRRSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000354513660 445272529 /nfs/dbraw/zinc/27/25/29/445272529.db2.gz RUGLVSGRIYWFEQ-FUHWJXTLSA-N 2 0 339.524 1.802 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@@H]2CC[NH+](C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000348588970 445333657 /nfs/dbraw/zinc/33/36/57/445333657.db2.gz QVFOISFFLUVKCP-GUDVDZBRSA-N 2 0 345.487 1.829 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000351829954 445336047 /nfs/dbraw/zinc/33/60/47/445336047.db2.gz BTLQWEHLYZOUBN-MAUKXSAKSA-N 2 0 330.476 1.243 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@H]2COC[C@@H]2O)CC1 ZINC000348645547 445343750 /nfs/dbraw/zinc/34/37/50/445343750.db2.gz OFAHGRPOGUDLDX-OALUTQOASA-N 2 0 333.476 1.410 20 0 EDADRP CC[C@@H]1C[C@H](C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)CCO1 ZINC000356971677 445354160 /nfs/dbraw/zinc/35/41/60/445354160.db2.gz ALQJFXMSKPMJPL-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H]1Oc1ccccc1 ZINC000359659614 445361874 /nfs/dbraw/zinc/36/18/74/445361874.db2.gz HVVKOADNOIIRGK-VAMGGRTRSA-N 2 0 348.487 1.905 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000355371670 445456455 /nfs/dbraw/zinc/45/64/55/445456455.db2.gz RGCFBUMTNJOLAJ-FGTMMUONSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)CCOC3C[NH2+]C3)c(C)c2)CC1 ZINC000348992153 445468817 /nfs/dbraw/zinc/46/88/17/445468817.db2.gz HSFXPYJYZUKALC-UHFFFAOYSA-N 2 0 346.475 1.454 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362706921 445510826 /nfs/dbraw/zinc/51/08/26/445510826.db2.gz RNMOQJXZRJVQFQ-GOSISDBHSA-N 2 0 348.466 1.106 20 0 EDADRP CSC1(C[NH2+][C@@H](Cc2ccc(F)cc2)C(N)=O)CC[NH+](C)CC1 ZINC000357299958 445534131 /nfs/dbraw/zinc/53/41/31/445534131.db2.gz PKZKOJMILYTRPB-HNNXBMFYSA-N 2 0 339.480 1.639 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3(O)CCCC3)CC2)C1 ZINC000349041567 445485640 /nfs/dbraw/zinc/48/56/40/445485640.db2.gz UNGKIRIJACUHFN-QGZVFWFLSA-N 2 0 325.497 1.018 20 0 EDADRP O=C(C[C@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000352101980 445493516 /nfs/dbraw/zinc/49/35/16/445493516.db2.gz LNJANYJTWLSLRI-MRXNPFEDSA-N 2 0 332.448 1.137 20 0 EDADRP O=C(N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357236970 445499122 /nfs/dbraw/zinc/49/91/22/445499122.db2.gz DOESCVVFWZSVGB-ZIFCJYIRSA-N 2 0 335.492 1.337 20 0 EDADRP COCC[NH+](CCOC)C1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000353005355 445571241 /nfs/dbraw/zinc/57/12/41/445571241.db2.gz CJQBGQCWMAUGMW-UHFFFAOYSA-N 2 0 341.540 1.778 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000356036312 445582491 /nfs/dbraw/zinc/58/24/91/445582491.db2.gz DOBRIZUFLXGPSJ-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000357315513 445544891 /nfs/dbraw/zinc/54/48/91/445544891.db2.gz RXGZJOVOFXVPQI-YXJHDRRASA-N 2 0 334.464 1.044 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CNCCOCC[NH+](C)C)sc2C1 ZINC000349250827 445547107 /nfs/dbraw/zinc/54/71/07/445547107.db2.gz HLONGYMMDNXPCY-UHFFFAOYSA-N 2 0 326.510 1.577 20 0 EDADRP C[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000356071793 445602333 /nfs/dbraw/zinc/60/23/33/445602333.db2.gz UOYNPIDXHDYHKA-GPMSIDNRSA-N 2 0 345.487 1.347 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353449647 445606833 /nfs/dbraw/zinc/60/68/33/445606833.db2.gz OCESQCDNXAZUQH-ATLSCFEFSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000362993059 445641412 /nfs/dbraw/zinc/64/14/12/445641412.db2.gz CNKICRXEGIMBGB-SJLPKXTDSA-N 2 0 347.507 1.933 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358495324 445622603 /nfs/dbraw/zinc/62/26/03/445622603.db2.gz HXUKZYVBEGOGEQ-IKGGRYGDSA-N 2 0 339.528 1.137 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000360210401 445629978 /nfs/dbraw/zinc/62/99/78/445629978.db2.gz XVTMHMXZWLFECT-DLBZAZTESA-N 2 0 337.439 1.654 20 0 EDADRP CCN1CCC([N@H+](C)CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000358520562 445630634 /nfs/dbraw/zinc/63/06/34/445630634.db2.gz WEVPFXVZRLMZRP-UHFFFAOYSA-N 2 0 346.475 1.819 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356142278 445644406 /nfs/dbraw/zinc/64/44/06/445644406.db2.gz SQPSAMJVJKFZCP-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000358544084 445643882 /nfs/dbraw/zinc/64/38/82/445643882.db2.gz VJTAWJWJKAPARL-NVXWUHKLSA-N 2 0 335.423 1.224 20 0 EDADRP CC[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353546550 445650928 /nfs/dbraw/zinc/65/09/28/445650928.db2.gz PDIMKBJNZNBJGZ-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353555242 445654698 /nfs/dbraw/zinc/65/46/98/445654698.db2.gz ZHGKEXMXDSGAQP-HZPDHXFCSA-N 2 0 326.481 1.791 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000356227074 445686430 /nfs/dbraw/zinc/68/64/30/445686430.db2.gz PKKJXEVTVYBANU-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)NCCNc2cc[nH+]cc2)([NH+](C)C)C1 ZINC000356235549 445690937 /nfs/dbraw/zinc/69/09/37/445690937.db2.gz XQLMLEDYAASWLJ-MAUKXSAKSA-N 2 0 333.480 1.725 20 0 EDADRP COc1ccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cc1OC ZINC000353675092 445702511 /nfs/dbraw/zinc/70/25/11/445702511.db2.gz VOEOAEQWMOJWMB-UHFFFAOYSA-N 2 0 349.475 1.786 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000349905074 445717948 /nfs/dbraw/zinc/71/79/48/445717948.db2.gz DOEMMZGDKKDIOB-IBGZPJMESA-N 2 0 341.540 1.653 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349938021 445726982 /nfs/dbraw/zinc/72/69/82/445726982.db2.gz SRXBAUNJPXXIQP-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)C[NH+]2CCCCC2)C1 ZINC000349938023 445727247 /nfs/dbraw/zinc/72/72/47/445727247.db2.gz SRXBAUNJPXXIQP-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)C2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000353752364 445738931 /nfs/dbraw/zinc/73/89/31/445738931.db2.gz GEQFBHPDVWLGLP-SJLPKXTDSA-N 2 0 345.487 1.911 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323687 445766073 /nfs/dbraw/zinc/76/60/73/445766073.db2.gz CAQUBJDAMIESMV-MSOLQXFVSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCSC1 ZINC000358865270 445818818 /nfs/dbraw/zinc/81/88/18/445818818.db2.gz MHTPOMSIKMKSJM-HOCLYGCPSA-N 2 0 325.453 1.422 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H]2CCC(C)(C)C2)C1 ZINC000361471454 445775970 /nfs/dbraw/zinc/77/59/70/445775970.db2.gz RCCCLWPWTGYMTJ-IRXDYDNUSA-N 2 0 339.524 1.970 20 0 EDADRP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000361483030 445782743 /nfs/dbraw/zinc/78/27/43/445782743.db2.gz ZYZQHCVDJXSZFW-IBGZPJMESA-N 2 0 347.503 1.662 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@H]2CCCO2)C1 ZINC000350204861 445792715 /nfs/dbraw/zinc/79/27/15/445792715.db2.gz GDXHKTWQTGLSGT-GVDBMIGSSA-N 2 0 341.496 1.103 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@H](C)CC2(C)C)C1 ZINC000350286297 445806719 /nfs/dbraw/zinc/80/67/19/445806719.db2.gz LPDLANKTHPSPSP-CVEARBPZSA-N 2 0 325.497 1.580 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@H](C)C1 ZINC000353904646 445807131 /nfs/dbraw/zinc/80/71/31/445807131.db2.gz AXERHNXGDOQOFX-SJORKVTESA-N 2 0 328.497 1.645 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000358911340 445844790 /nfs/dbraw/zinc/84/47/90/445844790.db2.gz CYYGLFZAHLYCGK-HNNXBMFYSA-N 2 0 327.432 1.478 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCC[N@@H+]1C ZINC000350619393 445856683 /nfs/dbraw/zinc/85/66/83/445856683.db2.gz QNJUDKXLNHRJRZ-ILXRZTDVSA-N 2 0 340.512 1.068 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369108836 445934642 /nfs/dbraw/zinc/93/46/42/445934642.db2.gz MABDPFSUTSIUCD-ROUUACIJSA-N 2 0 339.524 1.946 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000361710101 445891485 /nfs/dbraw/zinc/89/14/85/445891485.db2.gz CYJRCJJITSWFKP-LJQANCHMSA-N 2 0 348.466 1.407 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000361718792 445896748 /nfs/dbraw/zinc/89/67/48/445896748.db2.gz QXKQEAKSOQTVAT-GOSISDBHSA-N 2 0 325.497 1.631 20 0 EDADRP COCC[NH2+]CC(=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000361727466 445900489 /nfs/dbraw/zinc/90/04/89/445900489.db2.gz LXDWVSKELVSFQP-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751823 445916730 /nfs/dbraw/zinc/91/67/30/445916730.db2.gz PTFKLQXERCVFOC-IKGGRYGDSA-N 2 0 346.475 1.808 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000372967565 445948675 /nfs/dbraw/zinc/94/86/75/445948675.db2.gz VOZDPVFJWGIGDI-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000361793338 445951414 /nfs/dbraw/zinc/95/14/14/445951414.db2.gz WZSNHIQSUNKMPQ-VYDXJSESSA-N 2 0 342.553 1.938 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)c1=O ZINC000365091878 446018322 /nfs/dbraw/zinc/01/83/22/446018322.db2.gz GMQNTJJXMCNYKQ-YQQAZPJKSA-N 2 0 347.507 1.550 20 0 EDADRP [NH3+]C1(CNC2CC[NH+](CCN3CCOCC3)CC2)CCCCCC1 ZINC000583091758 326000046 /nfs/dbraw/zinc/00/00/46/326000046.db2.gz MGYOOABERBFIOQ-UHFFFAOYSA-N 2 0 338.540 1.424 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000583148127 326013854 /nfs/dbraw/zinc/01/38/54/326013854.db2.gz WOJXGEZIOVMQTN-UHFFFAOYSA-N 2 0 345.491 1.816 20 0 EDADRP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000583257146 326035191 /nfs/dbraw/zinc/03/51/91/326035191.db2.gz KXCWUERNJQQFPD-LBPRGKRZSA-N 2 0 330.270 1.977 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000359222562 446052275 /nfs/dbraw/zinc/05/22/75/446052275.db2.gz ROBLQJIONUYPNX-LJQANCHMSA-N 2 0 344.503 1.648 20 0 EDADRP CC(=O)Nc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000359223438 446053772 /nfs/dbraw/zinc/05/37/72/446053772.db2.gz RZLCKGSBZRWYIX-WMLDXEAASA-N 2 0 346.475 1.883 20 0 EDADRP COc1ccc(CCNC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000583445818 326075099 /nfs/dbraw/zinc/07/50/99/326075099.db2.gz BPKFNNYDMBVVGH-UHFFFAOYSA-N 2 0 349.475 1.423 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)COCc2ccccc2)CCCO1 ZINC000583495501 326083381 /nfs/dbraw/zinc/08/33/81/326083381.db2.gz IKYKFVVJCRQRCH-HKUYNNGSSA-N 2 0 336.476 1.655 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000583860143 326153602 /nfs/dbraw/zinc/15/36/02/326153602.db2.gz OZORPVGNRITVJQ-WBVHZDCISA-N 2 0 331.464 1.261 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@@H]12 ZINC000351480878 446080672 /nfs/dbraw/zinc/08/06/72/446080672.db2.gz WECQMYGPMJMTQB-JHJVBQTASA-N 2 0 328.372 1.634 20 0 EDADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000359285060 446121075 /nfs/dbraw/zinc/12/10/75/446121075.db2.gz LMMUOHUFYNYZOP-HZPDHXFCSA-N 2 0 346.450 1.016 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000373390777 446197560 /nfs/dbraw/zinc/19/75/60/446197560.db2.gz GWXMTZGWZMSBCI-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](CC3(OC)CCOCC3)CC2)CC1 ZINC000365436118 446205629 /nfs/dbraw/zinc/20/56/29/446205629.db2.gz KATOELKVRBQJBB-UHFFFAOYSA-N 2 0 339.524 1.674 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000351623072 446216120 /nfs/dbraw/zinc/21/61/20/446216120.db2.gz GJOURYBVBKHDPS-ILOCAZANSA-N 2 0 337.508 1.863 20 0 EDADRP COc1cccc(CNC(=O)CN2CCC[C@H](c3nccn3C)C2)c1 ZINC000365676766 446296632 /nfs/dbraw/zinc/29/66/32/446296632.db2.gz YPDVYFHZQGNEPM-INIZCTEOSA-N 2 0 342.443 1.925 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000366636068 446288277 /nfs/dbraw/zinc/28/82/77/446288277.db2.gz MACRSGHCNLFSTK-CRAIPNDOSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417339423 446347063 /nfs/dbraw/zinc/34/70/63/446347063.db2.gz ZXDCIWGORIQAIR-DLBZAZTESA-N 2 0 347.507 1.981 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359637699 446331004 /nfs/dbraw/zinc/33/10/04/446331004.db2.gz RQSDTUQERSCKEO-ZBFHGGJFSA-N 2 0 328.526 1.597 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000417509289 446357449 /nfs/dbraw/zinc/35/74/49/446357449.db2.gz VFQFGDSWLXWJFJ-KRWDZBQOSA-N 2 0 330.476 1.732 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000417731074 446371655 /nfs/dbraw/zinc/37/16/55/446371655.db2.gz FHIKUAVVVRIPKX-SFHVURJKSA-N 2 0 344.503 1.917 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC[N@@H+]1C ZINC000370671692 446380125 /nfs/dbraw/zinc/38/01/25/446380125.db2.gz WNOJISSVDQTFKY-LSDHHAIUSA-N 2 0 336.480 1.704 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000417950738 446396850 /nfs/dbraw/zinc/39/68/50/446396850.db2.gz MGJVCZFISHPEKX-GDBMZVCRSA-N 2 0 349.479 1.291 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431897827 446439475 /nfs/dbraw/zinc/43/94/75/446439475.db2.gz GTMXPMUPEREMOU-LJQANCHMSA-N 2 0 346.519 1.823 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000370787711 446443286 /nfs/dbraw/zinc/44/32/86/446443286.db2.gz NWLBSJIUQGZBCZ-INIZCTEOSA-N 2 0 343.537 1.431 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCCC2(C)C)CC[NH2+]CC1 ZINC000423161568 446443651 /nfs/dbraw/zinc/44/36/51/446443651.db2.gz JDIXKBAZGPXYOY-OAHLLOKOSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418178646 446447946 /nfs/dbraw/zinc/44/79/46/446447946.db2.gz ZAHYZBBKVQUVRG-KBXCAEBGSA-N 2 0 346.475 1.791 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417981224 446406932 /nfs/dbraw/zinc/40/69/32/446406932.db2.gz CDKDCLVGHHMQJU-FSPWUOQZSA-N 2 0 346.475 1.880 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)N[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417985274 446408286 /nfs/dbraw/zinc/40/82/86/446408286.db2.gz HAWHVVNFWDFQTK-JLZZUVOBSA-N 2 0 332.448 1.619 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417994665 446410256 /nfs/dbraw/zinc/41/02/56/446410256.db2.gz OZNFNTLSZFMYRQ-QZTJIDSGSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019767 446417864 /nfs/dbraw/zinc/41/78/64/446417864.db2.gz YHELSMFCLIQYHS-NRSFXHEJSA-N 2 0 328.460 1.368 20 0 EDADRP CC(C)SCC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000374860844 446421810 /nfs/dbraw/zinc/42/18/10/446421810.db2.gz GSALTYVZDAUBSR-QGZVFWFLSA-N 2 0 329.554 1.855 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N2CCCC[C@H]2C(=O)OCC)CC1 ZINC000420289645 446454389 /nfs/dbraw/zinc/45/43/89/446454389.db2.gz KNCMUSLNEXJIPY-INIZCTEOSA-N 2 0 339.480 1.252 20 0 EDADRP CSC1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[NH+](C)CC1 ZINC000418201812 446455255 /nfs/dbraw/zinc/45/52/55/446455255.db2.gz SOQNCEQAXMRRDH-ZIAGYGMSSA-N 2 0 326.510 1.065 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418191890 446455626 /nfs/dbraw/zinc/45/56/26/446455626.db2.gz LOBYKHKFFSXOIU-MRXNPFEDSA-N 2 0 349.479 1.435 20 0 EDADRP c1cc(N[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ncc1N1CC[NH2+]CC1 ZINC000423234752 446460901 /nfs/dbraw/zinc/46/09/01/446460901.db2.gz QAWGBPVNVJSOBR-ZACQAIPSSA-N 2 0 331.464 1.060 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299871 446461194 /nfs/dbraw/zinc/46/11/94/446461194.db2.gz JPUAOQCVLYPXLJ-RDTXWAMCSA-N 2 0 347.459 1.741 20 0 EDADRP Cc1ncsc1CN(CCN1CCO[C@@H](C)C1)C[C@H]1CC[NH2+]C1 ZINC000420302173 446463116 /nfs/dbraw/zinc/46/31/16/446463116.db2.gz BHFJRUYGEHOTBF-HOCLYGCPSA-N 2 0 338.521 1.584 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)s1 ZINC000420301353 446464438 /nfs/dbraw/zinc/46/44/38/446464438.db2.gz VPADYQHRCXHZJZ-GFCCVEGCSA-N 2 0 339.461 1.130 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N(CC[NH3+])CCO)CCC1 ZINC000418241613 446469680 /nfs/dbraw/zinc/46/96/80/446469680.db2.gz KKLVFPYPFKTBMZ-UHFFFAOYSA-N 2 0 334.464 1.004 20 0 EDADRP CCN(C)C(=O)CCN(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000420318435 446483088 /nfs/dbraw/zinc/48/30/88/446483088.db2.gz WDCPRLDINJYSJM-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP CCOC(=O)c1ccsc1NC(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420317987 446484294 /nfs/dbraw/zinc/48/42/94/446484294.db2.gz VGXHYRXTWOILMA-GFCCVEGCSA-N 2 0 339.461 1.937 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]C[C@@](C)(F)C1)c1ccccc1 ZINC000420324435 446491495 /nfs/dbraw/zinc/49/14/95/446491495.db2.gz BYQYWNFVTLUPMX-FUHWJXTLSA-N 2 0 336.455 1.039 20 0 EDADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420330789 446501300 /nfs/dbraw/zinc/50/13/00/446501300.db2.gz LXAIKXFRCJOOOS-RATFCBIFSA-N 2 0 337.508 1.898 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H](C)[NH3+] ZINC000423364566 446502134 /nfs/dbraw/zinc/50/21/34/446502134.db2.gz AVXLZKWFOORKKQ-LRDDRELGSA-N 2 0 348.447 1.714 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)C[C@@H]21 ZINC000418331321 446502680 /nfs/dbraw/zinc/50/26/80/446502680.db2.gz RFYITANQYHXXKE-IXDOHACOSA-N 2 0 331.464 1.330 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000418332939 446504137 /nfs/dbraw/zinc/50/41/37/446504137.db2.gz DRRQEXBEUOTYJJ-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337933 446507884 /nfs/dbraw/zinc/50/78/84/446507884.db2.gz KJFPJXMIVVBDSJ-IAGOWNOFSA-N 2 0 331.460 1.503 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418347676 446508315 /nfs/dbraw/zinc/50/83/15/446508315.db2.gz QTFMDPIEIXIKJI-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000418354932 446512235 /nfs/dbraw/zinc/51/22/35/446512235.db2.gz FEUMQPAOUDHJRE-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)N(C(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000420329686 446498849 /nfs/dbraw/zinc/49/88/49/446498849.db2.gz ORRJUTCUGDXSLP-UAGQMJEPSA-N 2 0 325.497 1.849 20 0 EDADRP CC[NH2+]CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418323830 446499007 /nfs/dbraw/zinc/49/90/07/446499007.db2.gz ILERGOOIHCLITA-UHFFFAOYSA-N 2 0 328.407 1.648 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325315 446499239 /nfs/dbraw/zinc/49/92/39/446499239.db2.gz IUONEMZSYDCEGE-MSOLQXFVSA-N 2 0 345.491 1.687 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423358995 446499539 /nfs/dbraw/zinc/49/95/39/446499539.db2.gz CORVJNCABMVKCX-HNNXBMFYSA-N 2 0 344.459 1.451 20 0 EDADRP C[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1[NH3+] ZINC000420388349 446563007 /nfs/dbraw/zinc/56/30/07/446563007.db2.gz WSYZECZRZZVSJH-WMLDXEAASA-N 2 0 348.516 1.453 20 0 EDADRP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349042 446524668 /nfs/dbraw/zinc/52/46/68/446524668.db2.gz NPOAXFMNAMXBEA-HNNXBMFYSA-N 2 0 348.516 1.717 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423423615 446529464 /nfs/dbraw/zinc/52/94/64/446529464.db2.gz ZWXQZRQJRMQFSI-HZPDHXFCSA-N 2 0 345.491 1.871 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423423122 446529964 /nfs/dbraw/zinc/52/99/64/446529964.db2.gz KUBDRJHMOGVCSY-COLVAYQJSA-N 2 0 325.250 1.996 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418403254 446530770 /nfs/dbraw/zinc/53/07/70/446530770.db2.gz BSXDYKORPGGMJI-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418414810 446535869 /nfs/dbraw/zinc/53/58/69/446535869.db2.gz MEXAJSIZXHQZNN-SMDDNHRTSA-N 2 0 326.391 1.447 20 0 EDADRP CO[C@H](C)c1nc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cs1 ZINC000433151665 446538550 /nfs/dbraw/zinc/53/85/50/446538550.db2.gz JBOKSWVOHGMDSE-GFCCVEGCSA-N 2 0 340.493 1.670 20 0 EDADRP COC(=O)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433162608 446540305 /nfs/dbraw/zinc/54/03/05/446540305.db2.gz UYCMYXSJFRPGNC-KRWDZBQOSA-N 2 0 333.432 1.220 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000418432697 446541929 /nfs/dbraw/zinc/54/19/29/446541929.db2.gz ZZLMVPRSMIEKFG-CQSZACIVSA-N 2 0 326.485 1.399 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420366902 446546230 /nfs/dbraw/zinc/54/62/30/446546230.db2.gz VDHZSZZEWMVBHY-HNNXBMFYSA-N 2 0 339.480 1.110 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000423473085 446549853 /nfs/dbraw/zinc/54/98/53/446549853.db2.gz IJENFHJXMQNUPT-XHSDSOJGSA-N 2 0 333.467 1.958 20 0 EDADRP O=C(CC[N@H+]1CC[C@H](C(F)(F)F)C2(CCC2)C1)N1CC[NH2+]CC1 ZINC000420371556 446550748 /nfs/dbraw/zinc/55/07/48/446550748.db2.gz KKWORSWEYYCVLL-ZDUSSCGKSA-N 2 0 333.398 1.863 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433336212 446555942 /nfs/dbraw/zinc/55/59/42/446555942.db2.gz UKDUCSAPJWMWRA-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[NH2+]CCOC)CC[N@@H+]1Cc1ccccc1 ZINC000418504352 446570560 /nfs/dbraw/zinc/57/05/60/446570560.db2.gz BMHNLAHBDOOBIS-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000367702658 446577842 /nfs/dbraw/zinc/57/78/42/446577842.db2.gz HVWNNGUVNVWLDI-INIZCTEOSA-N 2 0 344.503 1.914 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418537491 446585186 /nfs/dbraw/zinc/58/51/86/446585186.db2.gz JUUVNVQYBTUYQQ-FUHWJXTLSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418550987 446590938 /nfs/dbraw/zinc/59/09/38/446590938.db2.gz UHROJURXDDFHRR-GOSISDBHSA-N 2 0 333.480 1.545 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418555945 446592275 /nfs/dbraw/zinc/59/22/75/446592275.db2.gz OAEGKVZZAOQKQI-SJORKVTESA-N 2 0 348.491 1.780 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418576840 446601205 /nfs/dbraw/zinc/60/12/05/446601205.db2.gz YFKDJMPGWQFPGT-IXPVHAAZSA-N 2 0 326.391 1.317 20 0 EDADRP C[C@H]1[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000433874404 446604853 /nfs/dbraw/zinc/60/48/53/446604853.db2.gz JOPQGPSZLMHGBJ-XJKSGUPXSA-N 2 0 325.478 1.509 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418746225 446666617 /nfs/dbraw/zinc/66/66/17/446666617.db2.gz HTDSONJPRBISQA-MRXNPFEDSA-N 2 0 333.480 1.687 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423738524 446670144 /nfs/dbraw/zinc/67/01/44/446670144.db2.gz UTDPVNFAVXJYBA-SFHVURJKSA-N 2 0 347.459 1.108 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000418750409 446670356 /nfs/dbraw/zinc/67/03/56/446670356.db2.gz OHVUXCUXCBJRLO-OAHLLOKOSA-N 2 0 344.450 1.891 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000368151628 446672017 /nfs/dbraw/zinc/67/20/17/446672017.db2.gz KINVUTSXFBTEMF-IRXDYDNUSA-N 2 0 348.466 1.647 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418754956 446674757 /nfs/dbraw/zinc/67/47/57/446674757.db2.gz WUUYQBBYNPLZDC-KGLIPLIRSA-N 2 0 330.423 1.644 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423764687 446693172 /nfs/dbraw/zinc/69/31/72/446693172.db2.gz XTOKNYIRRQDLDK-HXUWFJFHSA-N 2 0 344.503 1.014 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418779091 446697199 /nfs/dbraw/zinc/69/71/99/446697199.db2.gz WWPRYVUEEWDJOJ-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000418778843 446697544 /nfs/dbraw/zinc/69/75/44/446697544.db2.gz YXTPHGQXWHCYMD-IHRRRGAJSA-N 2 0 332.439 1.603 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418779090 446697667 /nfs/dbraw/zinc/69/76/67/446697667.db2.gz WWPRYVUEEWDJOJ-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418781853 446700465 /nfs/dbraw/zinc/70/04/65/446700465.db2.gz DLCQXOALXSPFPN-ZIAGYGMSSA-N 2 0 333.436 1.049 20 0 EDADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423825780 446713697 /nfs/dbraw/zinc/71/36/97/446713697.db2.gz LZEHIXYXLAUZBP-MJGOQNOKSA-N 2 0 347.459 1.325 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000371265003 446725237 /nfs/dbraw/zinc/72/52/37/446725237.db2.gz USZLJZZEQVUTME-SFHVURJKSA-N 2 0 334.439 1.017 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000376811522 446733908 /nfs/dbraw/zinc/73/39/08/446733908.db2.gz JUOQKRRFETWWTH-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371293304 446750081 /nfs/dbraw/zinc/75/00/81/446750081.db2.gz GMTVVPSWQQTVJY-JRBPQWBISA-N 2 0 348.487 1.918 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000423900432 446753150 /nfs/dbraw/zinc/75/31/50/446753150.db2.gz KAQDKPAPKIPPQX-NJAFHUGGSA-N 2 0 331.460 1.392 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000423907940 446758192 /nfs/dbraw/zinc/75/81/92/446758192.db2.gz BJMNGXSYQWJGCV-INIZCTEOSA-N 2 0 331.464 1.412 20 0 EDADRP COCC[C@]1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000423913035 446762725 /nfs/dbraw/zinc/76/27/25/446762725.db2.gz WOHOFVDCLMPGIH-KVSKMBFKSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437844324 446765797 /nfs/dbraw/zinc/76/57/97/446765797.db2.gz IBZYFSYDAPBGIK-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000371341832 446789762 /nfs/dbraw/zinc/78/97/62/446789762.db2.gz ROCFGZHYZFZBQI-GOSISDBHSA-N 2 0 341.540 1.653 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000438708657 446796900 /nfs/dbraw/zinc/79/69/00/446796900.db2.gz NLRFCSIJKULLNX-GJZGRUSLSA-N 2 0 336.484 1.829 20 0 EDADRP COC(=O)[C@]1(C)CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000412059849 446821120 /nfs/dbraw/zinc/82/11/20/446821120.db2.gz DCICXYAYWQEWJE-GOSISDBHSA-N 2 0 325.497 1.678 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420791390 446823285 /nfs/dbraw/zinc/82/32/85/446823285.db2.gz ONTMOHDFGUPXHA-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)NCc1nc(C)n2c1CCCC2 ZINC000376936201 446808182 /nfs/dbraw/zinc/80/81/82/446808182.db2.gz XWDIETMDXRNSJH-QGZVFWFLSA-N 2 0 334.464 1.645 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C2(CCCCC2)C1 ZINC000424159610 446861970 /nfs/dbraw/zinc/86/19/70/446861970.db2.gz VVSINOIKMMRFBN-OAHLLOKOSA-N 2 0 346.479 1.293 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000419035258 446877580 /nfs/dbraw/zinc/87/75/80/446877580.db2.gz ZIVWQCRTWZBBRM-MRXNPFEDSA-N 2 0 338.496 1.016 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000419084094 446913467 /nfs/dbraw/zinc/91/34/67/446913467.db2.gz XZKWSYKMHSMWLZ-BZUAXINKSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(CN2CCOCC2)c1 ZINC000420960391 446929984 /nfs/dbraw/zinc/92/99/84/446929984.db2.gz GTXVYZAKYFQHPJ-ZWKOTPCHSA-N 2 0 347.503 1.406 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371556787 446930354 /nfs/dbraw/zinc/93/03/54/446930354.db2.gz FJIJVWGSCPOPNU-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579918 446934680 /nfs/dbraw/zinc/93/46/80/446934680.db2.gz MCTZBWVMQAADPY-NVXWUHKLSA-N 2 0 349.523 1.105 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)CC(C)C ZINC000419126567 446938366 /nfs/dbraw/zinc/93/83/66/446938366.db2.gz NOCMIWUOHDDXJG-OAGGEKHMSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(CN2CCOCC2)cc1 ZINC000420979174 446952763 /nfs/dbraw/zinc/95/27/63/446952763.db2.gz VFVNVQCUNRQSJS-KRWDZBQOSA-N 2 0 333.476 1.017 20 0 EDADRP COCC[C@]1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]C1 ZINC000372118342 447013293 /nfs/dbraw/zinc/01/32/93/447013293.db2.gz GRXGMNMFICDSJA-GOSISDBHSA-N 2 0 325.497 1.583 20 0 EDADRP COC(=O)CN1CCC([NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000368638624 446997463 /nfs/dbraw/zinc/99/74/63/446997463.db2.gz ZUSAKAPLZKGPHU-PXNSSMCTSA-N 2 0 345.487 1.906 20 0 EDADRP O=C(N1CCC(OCC[NH+]2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC000368685690 447034602 /nfs/dbraw/zinc/03/46/02/447034602.db2.gz AWUOXKTYOQQCAX-UHFFFAOYSA-N 2 0 335.492 1.718 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)c1 ZINC000419264180 447041449 /nfs/dbraw/zinc/04/14/49/447041449.db2.gz ARQCECSPALHXRI-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP CC(C)(O)C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000368703128 447052714 /nfs/dbraw/zinc/05/27/14/447052714.db2.gz YTEFYHGPSCUANG-UHFFFAOYSA-N 2 0 340.512 1.351 20 0 EDADRP Cc1nccn1CC[N@@H+]1CCCC[C@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375813339 447072319 /nfs/dbraw/zinc/07/23/19/447072319.db2.gz ZIFGMKCGZJVMPZ-CVEARBPZSA-N 2 0 336.436 1.561 20 0 EDADRP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375889758 447124302 /nfs/dbraw/zinc/12/43/02/447124302.db2.gz LBMCHGCVSJYYFO-SJORKVTESA-N 2 0 338.540 1.780 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CCC2)CC1 ZINC000419360572 447125159 /nfs/dbraw/zinc/12/51/59/447125159.db2.gz LTVKWMNDDZBQBG-MRXNPFEDSA-N 2 0 325.522 1.804 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421307217 447121185 /nfs/dbraw/zinc/12/11/85/447121185.db2.gz XAAVMMLMZQPWCA-INIZCTEOSA-N 2 0 346.475 1.548 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444174318 447087917 /nfs/dbraw/zinc/08/79/17/447087917.db2.gz FPXDKKOJDUDYKT-JHDROBOHSA-N 2 0 335.492 1.334 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[C@@]34CC[NH2+]C4)CCCC2)CC1 ZINC000444179938 447090573 /nfs/dbraw/zinc/09/05/73/447090573.db2.gz GNIDNUOJIBLDLF-SJLPKXTDSA-N 2 0 335.492 1.526 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425397060 447141825 /nfs/dbraw/zinc/14/18/25/447141825.db2.gz QUIKULUSAODWJQ-HOCLYGCPSA-N 2 0 325.497 1.410 20 0 EDADRP NC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000372582127 447160622 /nfs/dbraw/zinc/16/06/22/447160622.db2.gz AYUWJSZQSHEVMQ-UHFFFAOYSA-N 2 0 331.460 1.720 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC000375962799 447176342 /nfs/dbraw/zinc/17/63/42/447176342.db2.gz PIKGZWISNBBHOB-MSOLQXFVSA-N 2 0 325.497 1.282 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000372613536 447184246 /nfs/dbraw/zinc/18/42/46/447184246.db2.gz ZFBUNODYZJQQGP-HNNXBMFYSA-N 2 0 339.443 1.450 20 0 EDADRP C[NH+]1CCN(C[C@H]2CN(c3cc[nH+]c4ccccc43)CCO2)CC1 ZINC000375983704 447191700 /nfs/dbraw/zinc/19/17/00/447191700.db2.gz FNNBIAIYIUEWQW-INIZCTEOSA-N 2 0 326.444 1.687 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455643343 447194981 /nfs/dbraw/zinc/19/49/81/447194981.db2.gz AEWLXOJYRGOJAA-OAHLLOKOSA-N 2 0 336.484 1.544 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455657436 447198604 /nfs/dbraw/zinc/19/86/04/447198604.db2.gz LSSJIORXEZDQRQ-HNNXBMFYSA-N 2 0 336.484 1.783 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000445861959 447198586 /nfs/dbraw/zinc/19/85/86/447198586.db2.gz OFAMTGRYIODIAS-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419433629 447172366 /nfs/dbraw/zinc/17/23/66/447172366.db2.gz ZSUAZXOJXUHMSB-NVXWUHKLSA-N 2 0 346.475 1.054 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376026456 447217799 /nfs/dbraw/zinc/21/77/99/447217799.db2.gz AKWQWGOFGUDEDD-MRXNPFEDSA-N 2 0 348.495 1.954 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@@H]43)n2)CC1 ZINC000376041141 447228603 /nfs/dbraw/zinc/22/86/03/447228603.db2.gz FIUXXKIFNNZVOW-ZBFHGGJFSA-N 2 0 346.479 1.708 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)C(C)C ZINC000419504016 447230091 /nfs/dbraw/zinc/23/00/91/447230091.db2.gz UNFSQSFLNADWBM-IAGOWNOFSA-N 2 0 342.528 1.592 20 0 EDADRP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCCCC1 ZINC000421826675 447260721 /nfs/dbraw/zinc/26/07/21/447260721.db2.gz UHYHNTFOSNDNSV-JKSUJKDBSA-N 2 0 325.497 1.901 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415468419 447459989 /nfs/dbraw/zinc/45/99/89/447459989.db2.gz WJPGJFGMQGVMSK-QGZVFWFLSA-N 2 0 346.475 1.363 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415468417 447460073 /nfs/dbraw/zinc/46/00/73/447460073.db2.gz WJPGJFGMQGVMSK-KRWDZBQOSA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000458727079 447464571 /nfs/dbraw/zinc/46/45/71/447464571.db2.gz LVVXNFBIUILITQ-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656275 447496524 /nfs/dbraw/zinc/49/65/24/447496524.db2.gz WMFCUKWGFMRDLC-BZUAXINKSA-N 2 0 341.496 1.942 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426809940 447503794 /nfs/dbraw/zinc/50/37/94/447503794.db2.gz GWFROYDWKSTOKA-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCOc2ccc(Cl)cc2)C1 ZINC000390913513 447506891 /nfs/dbraw/zinc/50/68/91/447506891.db2.gz ZYBVAXOTIBLYRX-CQSZACIVSA-N 2 0 339.867 1.896 20 0 EDADRP COCCN1CCC([NH2+][C@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000495482512 447509232 /nfs/dbraw/zinc/50/92/32/447509232.db2.gz VZODDWPZGIAKBU-CABCVRRESA-N 2 0 327.469 1.554 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000457424278 447577470 /nfs/dbraw/zinc/57/74/70/447577470.db2.gz QFNSIRDZZIQRNL-ROUUACIJSA-N 2 0 348.491 1.435 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]2CC(=O)[C@@H]1C2 ZINC000457515698 447584673 /nfs/dbraw/zinc/58/46/73/447584673.db2.gz CLBRTKLZDNWNPS-YLFCFFPRSA-N 2 0 335.492 1.476 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000457207754 447541558 /nfs/dbraw/zinc/54/15/58/447541558.db2.gz NFOSYYKZHCFGCG-UHFFFAOYSA-N 2 0 332.492 1.655 20 0 EDADRP CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCN2CCO[C@H]1C2 ZINC000416237579 447546142 /nfs/dbraw/zinc/54/61/42/447546142.db2.gz FEJYEUANAMKRCY-MOPGFXCFSA-N 2 0 343.471 1.366 20 0 EDADRP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000416245372 447546358 /nfs/dbraw/zinc/54/63/58/447546358.db2.gz YAZTUSKQXRMKDU-IBGZPJMESA-N 2 0 345.487 1.398 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427148628 447552705 /nfs/dbraw/zinc/55/27/05/447552705.db2.gz YPBQBGZMNIZZLR-KZNAEPCWSA-N 2 0 337.508 1.963 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000398106569 447556907 /nfs/dbraw/zinc/55/69/07/447556907.db2.gz BOGNSVHBUDHWAC-AYBZRNKSSA-N 2 0 331.460 1.392 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034008 447557463 /nfs/dbraw/zinc/55/74/63/447557463.db2.gz BVRUKDAAYFRBCE-INIZCTEOSA-N 2 0 338.496 1.016 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C(C)C ZINC000420047300 447566296 /nfs/dbraw/zinc/56/62/96/447566296.db2.gz CISZRIUPSYYMQR-MRXNPFEDSA-N 2 0 340.512 1.197 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000427264797 447571843 /nfs/dbraw/zinc/57/18/43/447571843.db2.gz IZMHUVXNOFWEMB-HZPDHXFCSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361162 447572413 /nfs/dbraw/zinc/57/24/13/447572413.db2.gz QETSGYRDNQOHAX-GJZGRUSLSA-N 2 0 329.485 1.800 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420114321 447610504 /nfs/dbraw/zinc/61/05/04/447610504.db2.gz DLCPLFIDXAWFLR-CVEARBPZSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457692414 447620693 /nfs/dbraw/zinc/62/06/93/447620693.db2.gz NPOBCOTVPOTENS-TWMKSMIVSA-N 2 0 340.512 1.203 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000459261029 447625447 /nfs/dbraw/zinc/62/54/47/447625447.db2.gz LAOQCPIZZRQIMB-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000416833763 447693389 /nfs/dbraw/zinc/69/33/89/447693389.db2.gz CWNXGBUDOQLSLG-IAGOWNOFSA-N 2 0 334.464 1.139 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416837513 447694289 /nfs/dbraw/zinc/69/42/89/447694289.db2.gz HWXPBGCIQFJKAR-ILXRZTDVSA-N 2 0 334.489 1.888 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCCCC[NH3+])[NH+]2CCCC2)c1 ZINC000416853954 447696707 /nfs/dbraw/zinc/69/67/07/447696707.db2.gz OQDMXFZPFWPHSM-QGZVFWFLSA-N 2 0 334.464 1.870 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+]1CCCO)Cc1ccccc1 ZINC000457921205 447672708 /nfs/dbraw/zinc/67/27/08/447672708.db2.gz BQJJYSSUPWNFDV-GOSISDBHSA-N 2 0 348.491 1.264 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000457927305 447674368 /nfs/dbraw/zinc/67/43/68/447674368.db2.gz IGHFCXGVLPSTHE-IKGGRYGDSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048772 447708575 /nfs/dbraw/zinc/70/85/75/447708575.db2.gz OSISOZAZXKIDGT-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416812547 447690203 /nfs/dbraw/zinc/69/02/03/447690203.db2.gz DLZVSXPUXZAUFL-KRWDZBQOSA-N 2 0 334.464 1.741 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000416950079 447723385 /nfs/dbraw/zinc/72/33/85/447723385.db2.gz HQGCYKZWHAAABC-IAGOWNOFSA-N 2 0 340.512 1.565 20 0 EDADRP CCOC(=O)N1CC[C@@H]([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000496140682 447724309 /nfs/dbraw/zinc/72/43/09/447724309.db2.gz LUYRCMNEXUUPCD-UONOGXRCSA-N 2 0 341.452 1.128 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422716393 447727090 /nfs/dbraw/zinc/72/70/90/447727090.db2.gz UMLQKKHNNLWMRJ-FXAWDEMLSA-N 3 0 330.520 1.912 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000422719865 447727531 /nfs/dbraw/zinc/72/75/31/447727531.db2.gz YQJGSZNJRQBJRB-RTBURBONSA-N 2 0 335.492 1.712 20 0 EDADRP NCC(F)(F)CNC(=O)NCc1ccc(N2CCCCCC2)nc1 ZINC000416995923 447729984 /nfs/dbraw/zinc/72/99/84/447729984.db2.gz WBWGBEJXWYBZJA-UHFFFAOYSA-N 2 0 341.406 1.855 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777845 447748226 /nfs/dbraw/zinc/74/82/26/447748226.db2.gz GIVRYZBVJZUCKE-GOEBONIOSA-N 2 0 328.464 1.902 20 0 EDADRP COCCS(=O)(=O)c1ccc(CN[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000429428718 447748263 /nfs/dbraw/zinc/74/82/63/447748263.db2.gz USULHSCXRDKXCI-PBHICJAKSA-N 2 0 340.489 1.537 20 0 EDADRP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422791285 447750872 /nfs/dbraw/zinc/75/08/72/447750872.db2.gz QDHGRICKTYBAQV-KZNAEPCWSA-N 2 0 331.460 1.951 20 0 EDADRP COc1ccc([C@@H](NCCC[NH+]2CCN(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422795091 447752593 /nfs/dbraw/zinc/75/25/93/447752593.db2.gz ZRGNEGRJHGKKLA-WOJBJXKFSA-N 2 0 346.519 1.715 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)Cc1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000422800197 447753269 /nfs/dbraw/zinc/75/32/69/447753269.db2.gz ZNQJVRHCLNGNQB-WCQYABFASA-N 2 0 332.366 1.934 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422935669 447775585 /nfs/dbraw/zinc/77/55/85/447775585.db2.gz HJGDNHJXSZVMTP-VXGBXAGGSA-N 2 0 331.254 1.906 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2)CC1 ZINC000430557814 447778742 /nfs/dbraw/zinc/77/87/42/447778742.db2.gz XGQIDXLKZANTFT-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422956009 447780150 /nfs/dbraw/zinc/78/01/50/447780150.db2.gz ODJZJNUOETXJCZ-GHMZBOCLSA-N 2 0 328.254 1.894 20 0 EDADRP OC(C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451913371 447781953 /nfs/dbraw/zinc/78/19/53/447781953.db2.gz WLMJTDBKHMZNOG-RTBURBONSA-N 2 0 338.492 1.352 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000430708654 447783240 /nfs/dbraw/zinc/78/32/40/447783240.db2.gz ULLRZZSMXYCRFC-GOSISDBHSA-N 2 0 347.459 1.156 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCOc1ccc(C(F)(F)F)cn1 ZINC000422985749 447787550 /nfs/dbraw/zinc/78/75/50/447787550.db2.gz ADVDWOODUVZQAK-CYZMBNFOSA-N 2 0 333.354 1.821 20 0 EDADRP COc1cc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH3+])C2)cc(OC)c1OC ZINC000430930267 447788183 /nfs/dbraw/zinc/78/81/83/447788183.db2.gz XVYXKAWZEMHGQK-LBPRGKRZSA-N 2 0 337.420 1.322 20 0 EDADRP COc1ccc(COCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422996049 447788857 /nfs/dbraw/zinc/78/88/57/447788857.db2.gz SBGDAEQZSZXULS-IPMKNSEASA-N 2 0 334.460 1.959 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CO)c2ccccc2)CC[NH2+]CC1 ZINC000423011669 447790867 /nfs/dbraw/zinc/79/08/67/447790867.db2.gz ZTUDRMBCGNNHJE-WBVHZDCISA-N 2 0 334.460 1.674 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000423103786 447806089 /nfs/dbraw/zinc/80/60/89/447806089.db2.gz GPAYJFKNFGNTEA-SWLSCSKDSA-N 2 0 340.493 1.313 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522924904 447864214 /nfs/dbraw/zinc/86/42/14/447864214.db2.gz MNTLXTGBEYGQFY-QZTJIDSGSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)[NH+](C)CC(=O)NC(C)(C)CCNC(=O)C[N@@H+](C)C(C)C ZINC000452566334 447823557 /nfs/dbraw/zinc/82/35/57/447823557.db2.gz UHJLBZSPRKHUGF-UHFFFAOYSA-N 2 0 328.501 1.068 20 0 EDADRP COc1ccccc1CN(C)C(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000569847213 447906171 /nfs/dbraw/zinc/90/61/71/447906171.db2.gz JIHJOFTUADZTAO-IBGZPJMESA-N 2 0 331.460 1.729 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000575987443 447944391 /nfs/dbraw/zinc/94/43/91/447944391.db2.gz VUTWZJOATGGGCF-UHFFFAOYSA-N 3 0 332.492 1.484 20 0 EDADRP C[NH+]1CCCN(c2nc(C3CC3)cc(N3CCC[N@@H+](C)CC3)n2)CC1 ZINC000552885260 447962936 /nfs/dbraw/zinc/96/29/36/447962936.db2.gz GOFZVQVPLVUCGP-UHFFFAOYSA-N 2 0 344.507 1.638 20 0 EDADRP CC(C)[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000496862391 447980448 /nfs/dbraw/zinc/98/04/48/447980448.db2.gz HSUZMVSPBKTBTO-AWEZNQCLSA-N 2 0 341.500 1.745 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530912922 447983631 /nfs/dbraw/zinc/98/36/31/447983631.db2.gz CDVZSNQADPAJKO-QWFCFKBJSA-N 2 0 345.487 1.612 20 0 EDADRP CN(C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000525692909 448011945 /nfs/dbraw/zinc/01/19/45/448011945.db2.gz KUJAUBRBBAOPIS-IBGZPJMESA-N 2 0 331.460 1.176 20 0 EDADRP [NH3+][C@@H](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000570265276 447971466 /nfs/dbraw/zinc/97/14/66/447971466.db2.gz QOXMKSPSZXKHHK-ABHNRTSZSA-N 2 0 330.476 1.409 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2cnco2)cc1 ZINC000531118529 448021964 /nfs/dbraw/zinc/02/19/64/448021964.db2.gz RZBGUQRVEDRVQH-UHFFFAOYSA-N 2 0 330.432 1.907 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531299908 448058065 /nfs/dbraw/zinc/05/80/65/448058065.db2.gz NDADLERCFVUJFN-QUCCMNQESA-N 2 0 345.487 1.424 20 0 EDADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000570823931 448069874 /nfs/dbraw/zinc/06/98/74/448069874.db2.gz NZAMKSPOWHTWDG-CRAIPNDOSA-N 2 0 343.475 1.866 20 0 EDADRP CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502380116 448099920 /nfs/dbraw/zinc/09/99/20/448099920.db2.gz UGQCJWUATDASQF-RYQLBKOJSA-N 2 0 349.523 1.992 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)c1 ZINC000576470250 448064056 /nfs/dbraw/zinc/06/40/56/448064056.db2.gz ZWQBEADSLSAVQE-XLIONFOSSA-N 2 0 342.487 1.375 20 0 EDADRP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871971 448158616 /nfs/dbraw/zinc/15/86/16/448158616.db2.gz MQRJOZCTKFZLHO-MJGOQNOKSA-N 2 0 346.475 1.178 20 0 EDADRP C[C@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000571184066 448120775 /nfs/dbraw/zinc/12/07/75/448120775.db2.gz YRFNDXDWHBYLHP-YJBOKZPZSA-N 2 0 344.503 1.773 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253811 448195343 /nfs/dbraw/zinc/19/53/43/448195343.db2.gz IPZBGPJWRNBTHC-HZPDHXFCSA-N 2 0 325.497 1.555 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000514783760 448202357 /nfs/dbraw/zinc/20/23/57/448202357.db2.gz XYRCJQCCZZGAHG-GUDVDZBRSA-N 2 0 342.487 1.814 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884764 448163613 /nfs/dbraw/zinc/16/36/13/448163613.db2.gz LIGXNWCPVYZHSH-MISYRCLQSA-N 2 0 347.503 1.875 20 0 EDADRP Cc1[nH]c2ccccc2c1CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582409679 448228159 /nfs/dbraw/zinc/22/81/59/448228159.db2.gz ITGSRZRHAJMTIC-CQSZACIVSA-N 2 0 329.448 1.303 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(CC[NH3+])CC1 ZINC000515174389 448269426 /nfs/dbraw/zinc/26/94/26/448269426.db2.gz GXBQZPXNCTXEDI-HOCLYGCPSA-N 2 0 347.459 1.392 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000515174661 448269821 /nfs/dbraw/zinc/26/98/21/448269821.db2.gz MYLYFQHUVBIBAF-INIZCTEOSA-N 2 0 338.496 1.413 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000577269256 448251493 /nfs/dbraw/zinc/25/14/93/448251493.db2.gz MFGKHADDALBDEZ-KBPBESRZSA-N 2 0 349.385 1.806 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000591409575 448355052 /nfs/dbraw/zinc/35/50/52/448355052.db2.gz UCDMTKWMGFITPQ-NXHRZFHOSA-N 2 0 346.475 1.452 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Nc1cccnc1 ZINC000582900677 448372680 /nfs/dbraw/zinc/37/26/80/448372680.db2.gz RMEOXCFNDGLLNB-SJORKVTESA-N 2 0 332.448 1.378 20 0 EDADRP Cc1ccc([C@H](CN2CCOCC2)NC(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000572401045 448369892 /nfs/dbraw/zinc/36/98/92/448369892.db2.gz PUCMGWLSCARPJJ-NUJGCVRESA-N 2 0 348.491 1.793 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000582894904 448370627 /nfs/dbraw/zinc/37/06/27/448370627.db2.gz ZZTOTXJKOXJQCG-HNNXBMFYSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](n3ncc4ccccc43)C2)C1 ZINC000577589724 448333514 /nfs/dbraw/zinc/33/35/14/448333514.db2.gz JXWCOJASMAPCJZ-NVXWUHKLSA-N 2 0 341.459 1.480 20 0 EDADRP O=C1N[C@@H]2C[N@H+](CCOc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000516168800 448389908 /nfs/dbraw/zinc/38/99/08/448389908.db2.gz GGWLYQLJJBVGEY-QZTJIDSGSA-N 2 0 344.459 1.286 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000583027358 448407619 /nfs/dbraw/zinc/40/76/19/448407619.db2.gz KYOGDOHDMUEGTH-MHGIMSBQSA-N 2 0 331.460 1.649 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000584350366 448493715 /nfs/dbraw/zinc/49/37/15/448493715.db2.gz FYWBXQXKSHECEK-RCCFBDPRSA-N 2 0 331.460 1.301 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000584351487 448495638 /nfs/dbraw/zinc/49/56/38/448495638.db2.gz LQULKOQAZNNNTO-HUUCEWRRSA-N 2 0 348.491 1.339 20 0 EDADRP C[C@H](OC[C@H](O)C[NH2+]C[C@@H](O)CN(C)C)c1ccc(Cl)cc1 ZINC000578358651 448527913 /nfs/dbraw/zinc/52/79/13/448527913.db2.gz HAZVWHNZBCHWGE-APHBMKBZSA-N 2 0 330.856 1.291 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528445645 448532079 /nfs/dbraw/zinc/53/20/79/448532079.db2.gz NWQWOIODRPVRAY-KRWDZBQOSA-N 2 0 339.524 1.002 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)NCC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000517223998 448555416 /nfs/dbraw/zinc/55/54/16/448555416.db2.gz MTDAHWOGRBMLGR-UHFFFAOYSA-N 2 0 332.448 1.912 20 0 EDADRP CO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000517225341 448556760 /nfs/dbraw/zinc/55/67/60/448556760.db2.gz DGBHXDGNMKLPHH-OAGGEKHMSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000517230107 448557275 /nfs/dbraw/zinc/55/72/75/448557275.db2.gz NGWBYOVILWSIIU-UKRRQHHQSA-N 2 0 325.478 1.415 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCOC[C@H]2C)C1 ZINC000517140097 448542594 /nfs/dbraw/zinc/54/25/94/448542594.db2.gz CPXHXCYJWFXXDR-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153930 448545552 /nfs/dbraw/zinc/54/55/52/448545552.db2.gz LAGIBDZUFJLJOG-JYJNAYRXSA-N 2 0 331.464 1.237 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000578445668 448548448 /nfs/dbraw/zinc/54/84/48/448548448.db2.gz NHHATWGRKJRETM-JZXOWHBKSA-N 2 0 341.459 1.045 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000539438909 448612671 /nfs/dbraw/zinc/61/26/71/448612671.db2.gz PRCDJRARCRMMOY-GOSISDBHSA-N 2 0 328.460 1.672 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000566904479 448581304 /nfs/dbraw/zinc/58/13/04/448581304.db2.gz BPFMPIGARHYNRI-FZCLSBEQSA-N 2 0 330.476 1.947 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000517473886 448583884 /nfs/dbraw/zinc/58/38/84/448583884.db2.gz FMKSMWZWXGMXRI-GOSISDBHSA-N 2 0 345.487 1.790 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000573267051 448584894 /nfs/dbraw/zinc/58/48/94/448584894.db2.gz YJGUYUHEMWSTQC-IAGOWNOFSA-N 3 0 332.496 1.238 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000584769917 448624624 /nfs/dbraw/zinc/62/46/24/448624624.db2.gz FEWCFGYGGZFHFE-UHFFFAOYSA-N 2 0 339.528 1.363 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000517879339 448624891 /nfs/dbraw/zinc/62/48/91/448624891.db2.gz GNQRQKZGNIYPSM-KRWDZBQOSA-N 2 0 345.447 1.226 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000573308995 448593237 /nfs/dbraw/zinc/59/32/37/448593237.db2.gz ZGJVTWJTPITZAR-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000578623533 448596489 /nfs/dbraw/zinc/59/64/89/448596489.db2.gz RNORUDPKPGTKQG-DOTOQJQBSA-N 2 0 346.475 1.883 20 0 EDADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@H]1CC[NH2+]C1 ZINC000573328761 448600929 /nfs/dbraw/zinc/60/09/29/448600929.db2.gz XVFYAQYFCRCDIT-KRWDZBQOSA-N 2 0 348.516 1.468 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000573485276 448638724 /nfs/dbraw/zinc/63/87/24/448638724.db2.gz KXUVRNLMDRKUCB-KZNAEPCWSA-N 2 0 328.460 1.362 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567348381 448671045 /nfs/dbraw/zinc/67/10/45/448671045.db2.gz BEHUCWZRTHSBHL-MRXNPFEDSA-N 2 0 348.495 1.395 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc2c(c1)COC2 ZINC000541731646 448689012 /nfs/dbraw/zinc/68/90/12/448689012.db2.gz MMGMWJNYNFHFBG-UHFFFAOYSA-N 2 0 347.503 1.991 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000518540526 448691018 /nfs/dbraw/zinc/69/10/18/448691018.db2.gz QMHWDHOWPBBHAF-HNNXBMFYSA-N 2 0 342.447 1.239 20 0 EDADRP CC[C@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000567822304 448768494 /nfs/dbraw/zinc/76/84/94/448768494.db2.gz JUUZFFPSPXPQIN-FGTMMUONSA-N 2 0 331.460 1.316 20 0 EDADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051070 448807125 /nfs/dbraw/zinc/80/71/25/448807125.db2.gz VRLKJOQFRDAXBU-MAUKXSAKSA-N 2 0 345.487 1.695 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000529295270 448811336 /nfs/dbraw/zinc/81/13/36/448811336.db2.gz AVVUNOOFKDYHLB-KRWDZBQOSA-N 2 0 343.475 1.630 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)cc1 ZINC000519650094 448812296 /nfs/dbraw/zinc/81/22/96/448812296.db2.gz KPMURKUWCRHVKE-UHFFFAOYSA-N 2 0 328.420 1.483 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529312371 448816556 /nfs/dbraw/zinc/81/65/56/448816556.db2.gz FCAIKACOIHAEBZ-KBAYOESNSA-N 2 0 346.475 1.185 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000568371757 448862322 /nfs/dbraw/zinc/86/23/22/448862322.db2.gz UIUGFKGBUBGEOW-KSZLIROESA-N 2 0 349.450 1.613 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCC[C@H]3[C@H]3CC[NH2+]C3)c21 ZINC000592567074 448904465 /nfs/dbraw/zinc/90/44/65/448904465.db2.gz PUADOVSMWFDTQL-DZKIICNBSA-N 2 0 331.464 1.323 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)n1 ZINC000574581727 448908023 /nfs/dbraw/zinc/90/80/23/448908023.db2.gz PPGZCQXJKNJGKY-QGZVFWFLSA-N 2 0 347.438 1.617 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000568763083 448917870 /nfs/dbraw/zinc/91/78/70/448917870.db2.gz CZTSHLDAFCGNNE-RDJZCZTQSA-N 2 0 348.466 1.676 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1)c1ccccc1 ZINC000547787126 448929135 /nfs/dbraw/zinc/92/91/35/448929135.db2.gz GBCVNZYFJAKHEX-FJIDUMEYSA-N 2 0 331.460 1.108 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000520782352 448929682 /nfs/dbraw/zinc/92/96/82/448929682.db2.gz JSHGRYMAJHRZFL-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504370 448888145 /nfs/dbraw/zinc/88/81/45/448888145.db2.gz CXQUXPQAJDVKJU-QAPCUYQASA-N 2 0 330.476 1.905 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000574874187 448976903 /nfs/dbraw/zinc/97/69/03/448976903.db2.gz LLGBYRHUIZBDSO-FUHWJXTLSA-N 2 0 345.491 1.756 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000582120824 449016674 /nfs/dbraw/zinc/01/66/74/449016674.db2.gz UGJSSWSNSYPHAJ-RTBURBONSA-N 2 0 344.503 1.356 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215860 449083730 /nfs/dbraw/zinc/08/37/30/449083730.db2.gz JTUVTWDOMLFEOC-DRZSPHRISA-N 2 0 328.359 1.893 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215859 449084608 /nfs/dbraw/zinc/08/46/08/449084608.db2.gz JTUVTWDOMLFEOC-CYZMBNFOSA-N 2 0 328.359 1.893 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc1 ZINC000582289569 449057297 /nfs/dbraw/zinc/05/72/97/449057297.db2.gz VPWKPLRZOKDEAX-UHFFFAOYSA-N 2 0 342.447 2.513 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(N(C)C)nc3)C2)CC1 ZINC000611276245 449246819 /nfs/dbraw/zinc/24/68/19/449246819.db2.gz HSVDANCNTZSHBP-SFHVURJKSA-N 2 0 331.508 1.748 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CNc3ccccc3C2)CC[NH2+]CC1 ZINC000593318197 449224011 /nfs/dbraw/zinc/22/40/11/449224011.db2.gz BAMQRKDIGAQZTJ-GDBMZVCRSA-N 2 0 331.460 1.934 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000602018437 449277832 /nfs/dbraw/zinc/27/78/32/449277832.db2.gz BUJRPBXVQICVEN-FUHWJXTLSA-N 3 0 347.503 1.858 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000596104558 449363084 /nfs/dbraw/zinc/36/30/84/449363084.db2.gz GAZXFXZZWVHCKF-UHFFFAOYSA-N 2 0 339.480 1.298 20 0 EDADRP CCn1ccnc1CN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000600500613 449413809 /nfs/dbraw/zinc/41/38/09/449413809.db2.gz PMQVODMPHYWUSE-INIZCTEOSA-N 2 0 333.480 1.422 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000600965064 449618942 /nfs/dbraw/zinc/61/89/42/449618942.db2.gz FVWJRQVXGUIOFG-GOSISDBHSA-N 2 0 344.503 1.799 20 0 EDADRP CCOC(=O)c1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000602547719 449666367 /nfs/dbraw/zinc/66/63/67/449666367.db2.gz JOFMUVWNFKOKIH-CYBMUJFWSA-N 2 0 336.436 1.109 20 0 EDADRP CCOC(=O)c1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)on1 ZINC000602579901 449685797 /nfs/dbraw/zinc/68/57/97/449685797.db2.gz JOWOOPIKKFTLMZ-UHFFFAOYSA-N 2 0 345.403 1.610 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602508012 449638612 /nfs/dbraw/zinc/63/86/12/449638612.db2.gz YSWJBGVPFCQNNG-CVEARBPZSA-N 2 0 337.464 1.300 20 0 EDADRP Cn1nc(C(=O)OC(C)(C)C)cc1CNC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000602511826 449640446 /nfs/dbraw/zinc/64/04/46/449640446.db2.gz RPXKOOQLTBSZHB-ZDUSSCGKSA-N 2 0 334.464 1.949 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000612331616 449647406 /nfs/dbraw/zinc/64/74/06/449647406.db2.gz KLGWZSSVHNQNDB-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608358796 449818104 /nfs/dbraw/zinc/81/81/04/449818104.db2.gz VYNGORPVAUDRQK-DLBZAZTESA-N 2 0 325.497 1.769 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCOC[C@@H]3C)CC2)CC1 ZINC000615084074 449943938 /nfs/dbraw/zinc/94/39/38/449943938.db2.gz RBLVYGLGJWDJRC-INIZCTEOSA-N 2 0 337.508 1.819 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612980527 449969499 /nfs/dbraw/zinc/96/94/99/449969499.db2.gz SKQNXWLAWXXMAH-KRWDZBQOSA-N 2 0 343.475 1.739 20 0 EDADRP C[NH+](C)CC1CN(C(=O)[C@@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000615505943 450118267 /nfs/dbraw/zinc/11/82/67/450118267.db2.gz MSLFEDDQZXKDBD-LJQANCHMSA-N 2 0 329.488 1.961 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000623063149 450387105 /nfs/dbraw/zinc/38/71/05/450387105.db2.gz AOGJTRBLJHLQNN-KRWDZBQOSA-N 2 0 331.464 1.260 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)c1ccccc1 ZINC000635095918 450644622 /nfs/dbraw/zinc/64/46/22/450644622.db2.gz LWVSCTVQWRBPCR-KRWDZBQOSA-N 2 0 333.476 1.764 20 0 EDADRP CC1CC(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000621411912 450717688 /nfs/dbraw/zinc/71/76/88/450717688.db2.gz YNFQLIWUQWVOKR-UHFFFAOYSA-N 2 0 345.491 1.939 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(Br)cnc1OC ZINC000629524643 450725120 /nfs/dbraw/zinc/72/51/20/450725120.db2.gz RVVDLTVKJMKTPA-LBPRGKRZSA-N 2 0 332.242 1.696 20 0 EDADRP CNS(=O)(=O)CCC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000631708426 450725163 /nfs/dbraw/zinc/72/51/63/450725163.db2.gz DVNASPPAGJAGJO-GDBMZVCRSA-N 2 0 331.526 1.558 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631743034 450745511 /nfs/dbraw/zinc/74/55/11/450745511.db2.gz LFGCDZQCRPDZCE-UHFFFAOYSA-N 2 0 333.436 1.242 20 0 EDADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584243 450750203 /nfs/dbraw/zinc/75/02/03/450750203.db2.gz MZIFGWQTKSQSOF-WOJBJXKFSA-N 2 0 347.503 1.190 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590894 450752900 /nfs/dbraw/zinc/75/29/00/450752900.db2.gz VOTYTDKPURPYGM-MRXNPFEDSA-N 2 0 325.497 1.629 20 0 EDADRP Cc1ccc(C(=O)NC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000631877667 450840830 /nfs/dbraw/zinc/84/08/30/450840830.db2.gz FWHBOJQTFIBNNU-GOSISDBHSA-N 2 0 343.471 1.710 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635279336 450810079 /nfs/dbraw/zinc/81/00/79/450810079.db2.gz OSPKOGGZSBNTTO-QGZVFWFLSA-N 2 0 330.476 1.714 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000621645665 450810176 /nfs/dbraw/zinc/81/01/76/450810176.db2.gz JQPOSRIHWAZSDM-INIZCTEOSA-N 2 0 345.491 1.229 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652277 450816111 /nfs/dbraw/zinc/81/61/11/450816111.db2.gz XRSFRPHYMITVPB-MRXNPFEDSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827114 450799198 /nfs/dbraw/zinc/79/91/98/450799198.db2.gz FRZYXNKYZYDXHY-NUJGCVRESA-N 2 0 345.487 1.940 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000621751884 450857895 /nfs/dbraw/zinc/85/78/95/450857895.db2.gz PNJVXUNHPIIZSI-VQIMIIECSA-N 2 0 344.503 1.957 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635446893 450947904 /nfs/dbraw/zinc/94/79/04/450947904.db2.gz DWFMLDNCYBMQMA-UHFFFAOYSA-N 2 0 339.524 1.925 20 0 EDADRP O=C(N1CCC(CC[NH+]2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635452872 450953984 /nfs/dbraw/zinc/95/39/84/450953984.db2.gz JIRZUKKPQCSJSI-UHFFFAOYSA-N 2 0 349.519 1.823 20 0 EDADRP COc1cc(CNC(=O)C2(C[NH+](C)C)CC2)ccc1OCC[NH+](C)C ZINC000635464465 450965133 /nfs/dbraw/zinc/96/51/33/450965133.db2.gz IRBAFZYHFNSGGN-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NCC2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000626922387 451006069 /nfs/dbraw/zinc/00/60/69/451006069.db2.gz VPTSADBOFBPIRM-KRWDZBQOSA-N 2 0 348.491 1.659 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550830 451046552 /nfs/dbraw/zinc/04/65/52/451046552.db2.gz JIFQCWRZXSSGSH-INIZCTEOSA-N 2 0 334.508 1.147 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000626931058 451013449 /nfs/dbraw/zinc/01/34/49/451013449.db2.gz QHQCDGBBFVZSCZ-ZBFHGGJFSA-N 2 0 331.464 1.486 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000626946383 451025682 /nfs/dbraw/zinc/02/56/82/451025682.db2.gz XKLIXYSIEQVRNZ-WBVHZDCISA-N 2 0 328.501 1.374 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000626968805 451041572 /nfs/dbraw/zinc/04/15/72/451041572.db2.gz LIFBOHGBNLOBTG-BHIYHBOVSA-N 2 0 344.503 1.991 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000627005917 451070438 /nfs/dbraw/zinc/07/04/38/451070438.db2.gz NXGBGKPZIFUOPR-IRXDYDNUSA-N 2 0 334.464 1.309 20 0 EDADRP [NH3+]CC1(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000627009649 451073830 /nfs/dbraw/zinc/07/38/30/451073830.db2.gz RMPBPJIEBCVDAS-UHFFFAOYSA-N 2 0 347.463 1.105 20 0 EDADRP O=C(N1CC[NH+](CC2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635583436 451082038 /nfs/dbraw/zinc/08/20/38/451082038.db2.gz RKJMZCRVBAPTSP-UHFFFAOYSA-N 2 0 335.492 1.433 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627037702 451095730 /nfs/dbraw/zinc/09/57/30/451095730.db2.gz BJIWKRFJBNFWBR-XQQFMLRXSA-N 2 0 338.418 1.884 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627115425 451131324 /nfs/dbraw/zinc/13/13/24/451131324.db2.gz ASFXGKOEHHVMLO-AGIUHOORSA-N 2 0 336.402 1.639 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000627116808 451132299 /nfs/dbraw/zinc/13/22/99/451132299.db2.gz NNHUEBLNBMSIGR-SJORKVTESA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635667760 451152927 /nfs/dbraw/zinc/15/29/27/451152927.db2.gz OOQNZSUVUSPOGK-UHFFFAOYSA-N 2 0 346.519 1.303 20 0 EDADRP O=C(N1CC[C@H](OCC[NH+]2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635695877 451178510 /nfs/dbraw/zinc/17/85/10/451178510.db2.gz SZIZVEKCGDXOAK-KRWDZBQOSA-N 2 0 335.492 1.576 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627209167 451187844 /nfs/dbraw/zinc/18/78/44/451187844.db2.gz DAZVKODMIJESKX-YYQUZTFQSA-N 2 0 334.439 1.792 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000627213660 451190858 /nfs/dbraw/zinc/19/08/58/451190858.db2.gz NIKDKEMCROCLJV-KRWDZBQOSA-N 2 0 340.512 1.649 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000638101674 451266424 /nfs/dbraw/zinc/26/64/24/451266424.db2.gz QQOMGGHPPJHOMI-IBGZPJMESA-N 2 0 342.487 1.310 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCCC1)c1ccccc1 ZINC000638112529 451281122 /nfs/dbraw/zinc/28/11/22/451281122.db2.gz UDNSNUSZONEIBU-BHYGNILZSA-N 2 0 331.460 1.882 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000638127080 451297032 /nfs/dbraw/zinc/29/70/32/451297032.db2.gz UHBLNKJREWSKGF-MJGOQNOKSA-N 2 0 345.487 1.899 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127093 451297060 /nfs/dbraw/zinc/29/70/60/451297060.db2.gz UNHBQLYZIQOGMF-ICSRJNTNSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131531 451303719 /nfs/dbraw/zinc/30/37/19/451303719.db2.gz RHRQRWQKHPOONT-LPHOPBHVSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)C[NH+](C)CCc2ccccc2)CCCO1 ZINC000635857607 451305711 /nfs/dbraw/zinc/30/57/11/451305711.db2.gz HLJUBNLFKZAQBW-SFHVURJKSA-N 2 0 347.503 1.778 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C3=CC[C@H]([NH3+])C3)CC2)c1 ZINC000638136712 451310955 /nfs/dbraw/zinc/31/09/55/451310955.db2.gz AAJQBPJTWVZSFI-SFHVURJKSA-N 2 0 342.487 1.671 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000636588072 451328921 /nfs/dbraw/zinc/32/89/21/451328921.db2.gz RUTXKUKFGGAHRE-MSOLQXFVSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCC[NH+]2CC[C@H](O)C2)C1 ZINC000636629141 451366583 /nfs/dbraw/zinc/36/65/83/451366583.db2.gz GQVUZUPOVNFAGE-XHSDSOJGSA-N 2 0 340.512 1.109 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CCC[NH3+])CC1CCCC1 ZINC000638232215 451371775 /nfs/dbraw/zinc/37/17/75/451371775.db2.gz FNSLGFQJJQCAEF-LJQANCHMSA-N 2 0 346.519 1.813 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCCO1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533018 451384253 /nfs/dbraw/zinc/38/42/53/451384253.db2.gz ZNYHSSMWNSPUCR-IAGOWNOFSA-N 2 0 325.497 1.868 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638277066 451395230 /nfs/dbraw/zinc/39/52/30/451395230.db2.gz XUUBDGPQGYSMDC-HKUYNNGSSA-N 2 0 333.476 1.864 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632560880 451401947 /nfs/dbraw/zinc/40/19/47/451401947.db2.gz BZUYFKRMXNYUHW-INIZCTEOSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000638287196 451404266 /nfs/dbraw/zinc/40/42/66/451404266.db2.gz UHVRXPHILLBYRO-RYQLBKOJSA-N 2 0 333.476 1.862 20 0 EDADRP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@@H](C)O1 ZINC000638319990 451430561 /nfs/dbraw/zinc/43/05/61/451430561.db2.gz VSAAGLANEZWNRS-HZPDHXFCSA-N 2 0 341.540 1.699 20 0 EDADRP COC[C@]1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCC[NH2+]1 ZINC000638350604 451451889 /nfs/dbraw/zinc/45/18/89/451451889.db2.gz DJJROCDZCGMJNI-CAWLCXJGSA-N 2 0 335.492 1.415 20 0 EDADRP C[C@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[NH+](C)C ZINC000638356560 451457039 /nfs/dbraw/zinc/45/70/39/451457039.db2.gz RMCHOCVBNLSGJU-CYBMUJFWSA-N 2 0 333.480 1.533 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638369460 451467011 /nfs/dbraw/zinc/46/70/11/451467011.db2.gz RMUSKKACKRDVPH-DUPRYPCISA-N 2 0 345.487 1.767 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634703286 451479372 /nfs/dbraw/zinc/47/93/72/451479372.db2.gz TVDKEFRSAQWKAS-WOJBJXKFSA-N 2 0 347.503 1.324 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000638391582 451482495 /nfs/dbraw/zinc/48/24/95/451482495.db2.gz UPEDXZJTTLEJKH-MXSMSXNCSA-N 2 0 333.476 1.895 20 0 EDADRP O=C(CN1CC[NH2+]CC1)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000638390994 451482663 /nfs/dbraw/zinc/48/26/63/451482663.db2.gz NUBKPMFVGDQOPG-UHFFFAOYSA-N 2 0 348.516 1.718 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000638346040 451449037 /nfs/dbraw/zinc/44/90/37/451449037.db2.gz YKMHHANFDUHGMG-MOPGFXCFSA-N 2 0 339.439 1.738 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000634732365 451512302 /nfs/dbraw/zinc/51/23/02/451512302.db2.gz DTYBKKICCKLXDH-GOSISDBHSA-N 2 0 338.540 1.151 20 0 EDADRP CO[C@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000638513470 451552925 /nfs/dbraw/zinc/55/29/25/451552925.db2.gz MDWYQOXPYGKQNV-ZWKOTPCHSA-N 2 0 349.475 1.119 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[C@H]1C(F)(F)F ZINC000638561837 451577624 /nfs/dbraw/zinc/57/76/24/451577624.db2.gz XEPXCLNGYJUKGQ-ZIAGYGMSSA-N 2 0 327.350 1.889 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC[C@@H]1C(F)(F)F ZINC000638561012 451577740 /nfs/dbraw/zinc/57/77/40/451577740.db2.gz FTHUVKTWEIIIRE-MNOVXSKESA-N 2 0 347.406 1.993 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC[C@H]1C(F)(F)F ZINC000638561836 451577783 /nfs/dbraw/zinc/57/77/83/451577783.db2.gz XEPXCLNGYJUKGQ-UONOGXRCSA-N 2 0 327.350 1.889 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000629175369 451583177 /nfs/dbraw/zinc/58/31/77/451583177.db2.gz NFGYUBFDXBUNQB-QZTJIDSGSA-N 2 0 331.460 1.081 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000638572276 451583728 /nfs/dbraw/zinc/58/37/28/451583728.db2.gz ZZRNNDLVTYGXHZ-ZWKOTPCHSA-N 2 0 330.476 1.304 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@]12CCCO2 ZINC000638588783 451592987 /nfs/dbraw/zinc/59/29/87/451592987.db2.gz NPTKZSKONWBCGN-GDAAHCPNSA-N 2 0 337.508 1.471 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCNC(=O)CC2)c1 ZINC000634959611 451623574 /nfs/dbraw/zinc/62/35/74/451623574.db2.gz WWTFSVBPQPAJHL-KRWDZBQOSA-N 2 0 349.475 1.402 20 0 EDADRP O=C1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000634984654 451636155 /nfs/dbraw/zinc/63/61/55/451636155.db2.gz YGVKTOVSTIZEJV-KRWDZBQOSA-N 2 0 331.460 1.272 20 0 EDADRP CO[C@H](C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)C1CC1 ZINC000638721030 451665081 /nfs/dbraw/zinc/66/50/81/451665081.db2.gz VXBPFOJGKCYDDQ-MRXNPFEDSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1cc(C2CC[NH2+]CC2)no1 ZINC000638672463 451643302 /nfs/dbraw/zinc/64/33/02/451643302.db2.gz ZDLYRENTOLZNDP-UHFFFAOYSA-N 2 0 342.399 1.876 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000632935160 451658754 /nfs/dbraw/zinc/65/87/54/451658754.db2.gz ZDHJLJWKDTZAFC-GJZGRUSLSA-N 2 0 331.464 1.782 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000638783988 451691003 /nfs/dbraw/zinc/69/10/03/451691003.db2.gz QCHDSFGAKNDXGN-ZWKOTPCHSA-N 2 0 349.450 1.485 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000638785193 451691567 /nfs/dbraw/zinc/69/15/67/451691567.db2.gz MFTIMRWBZXAWSW-KSSFIOAISA-N 2 0 331.460 1.937 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000638881686 451718007 /nfs/dbraw/zinc/71/80/07/451718007.db2.gz QBEMMKRSCZFRMK-LSDHHAIUSA-N 2 0 327.432 1.177 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000638858236 451712740 /nfs/dbraw/zinc/71/27/40/451712740.db2.gz ZHIBOGBNEZHWJI-HYJFEMIMSA-N 2 0 345.487 1.638 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000638861394 451713538 /nfs/dbraw/zinc/71/35/38/451713538.db2.gz UTOSXAZDQUGQAD-HNNXBMFYSA-N 2 0 346.479 1.121 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000638729575 451669063 /nfs/dbraw/zinc/66/90/63/451669063.db2.gz RZNWKQLYJPNRDC-WMZOPIPTSA-N 2 0 337.508 1.997 20 0 EDADRP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000632960345 451669362 /nfs/dbraw/zinc/66/93/62/451669362.db2.gz GFUVCFYYZCLQJC-KGLIPLIRSA-N 2 0 334.468 1.659 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cn2)CC1 ZINC000632961471 451670507 /nfs/dbraw/zinc/67/05/07/451670507.db2.gz RDZMENIIXJQDEV-IAOVAPTHSA-N 2 0 346.479 1.741 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C1CCOCC1 ZINC000631267049 451670686 /nfs/dbraw/zinc/67/06/86/451670686.db2.gz ABJXUXHKZDHNTC-ZWKOTPCHSA-N 2 0 339.524 1.781 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000641041354 451739986 /nfs/dbraw/zinc/73/99/86/451739986.db2.gz BBVFRCRDKJEGRJ-AWEZNQCLSA-N 2 0 333.436 1.064 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000638974520 451744225 /nfs/dbraw/zinc/74/42/25/451744225.db2.gz AABCDDRLRJCCBM-QMTMVMCOSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000638977273 451744433 /nfs/dbraw/zinc/74/44/33/451744433.db2.gz QICXXBBXZZOSKN-LZQZEXGQSA-N 2 0 345.487 1.790 20 0 EDADRP [NH3+]C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1 ZINC000638983828 451745724 /nfs/dbraw/zinc/74/57/24/451745724.db2.gz HGZYMRAXTWUMNS-MRXNPFEDSA-N 3 0 343.406 1.311 20 0 EDADRP CC(=O)NCCCCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987102 451747412 /nfs/dbraw/zinc/74/74/12/451747412.db2.gz KYVXPFHBIKOOOA-UHFFFAOYSA-N 2 0 333.436 1.126 20 0 EDADRP [NH3+]CC1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000638996610 451750068 /nfs/dbraw/zinc/75/00/68/451750068.db2.gz LWXTXUFSDOZRAQ-UHFFFAOYSA-N 2 0 344.503 1.977 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221921 451787822 /nfs/dbraw/zinc/78/78/22/451787822.db2.gz MBKRKPBNUPBHMJ-AEFFLSMTSA-N 2 0 331.464 1.092 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000642021600 451806223 /nfs/dbraw/zinc/80/62/23/451806223.db2.gz HPBGJCZULGNPJD-ZWKOTPCHSA-N 2 0 346.475 1.138 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000644523978 451840315 /nfs/dbraw/zinc/84/03/15/451840315.db2.gz FICYLERMDNXZQL-OKZBNKHCSA-N 2 0 347.459 1.601 20 0 EDADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCOC1 ZINC000639312231 451821987 /nfs/dbraw/zinc/82/19/87/451821987.db2.gz UEEMFYPDSAROEH-OALUTQOASA-N 2 0 333.476 1.935 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@]1(C)CO ZINC000639331733 451830716 /nfs/dbraw/zinc/83/07/16/451830716.db2.gz YHPDHHLLFJZSIS-FXAWDEMLSA-N 2 0 348.487 1.848 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000642244531 451842149 /nfs/dbraw/zinc/84/21/49/451842149.db2.gz OWZUIXQYVQANOJ-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649102982 451846529 /nfs/dbraw/zinc/84/65/29/451846529.db2.gz SLYWHUOLMVKKEU-UHOSZYNNSA-N 2 0 345.487 1.416 20 0 EDADRP CC1([NH3+])CCN(C(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000642257889 451846553 /nfs/dbraw/zinc/84/65/53/451846553.db2.gz FUFLZWRZMPDYEV-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000641323797 451847310 /nfs/dbraw/zinc/84/73/10/451847310.db2.gz PBIHSXGRWXTMJS-AWEZNQCLSA-N 2 0 337.489 1.295 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000644562566 451863242 /nfs/dbraw/zinc/86/32/42/451863242.db2.gz ZZJURWVVPVNPHY-OAHLLOKOSA-N 2 0 341.521 1.241 20 0 EDADRP C[C@@H]1OCC[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639500302 451905728 /nfs/dbraw/zinc/90/57/28/451905728.db2.gz NGAFRVPCMBZYOD-RDJZCZTQSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642750481 451949606 /nfs/dbraw/zinc/94/96/06/451949606.db2.gz BQOXPJVAXITQAZ-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP CC(=O)N1CC[C@H](C[N@@H+](C)C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639546092 451935945 /nfs/dbraw/zinc/93/59/45/451935945.db2.gz BSZSQKHVIBXWAP-UXHICEINSA-N 2 0 345.487 1.424 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639584572 451957818 /nfs/dbraw/zinc/95/78/18/451957818.db2.gz ZJXIKOBZNAXRAU-MRXNPFEDSA-N 2 0 332.496 1.115 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649285040 451958121 /nfs/dbraw/zinc/95/81/21/451958121.db2.gz XYCLURYKEQDNJC-OAHLLOKOSA-N 2 0 335.448 1.582 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649288561 451963091 /nfs/dbraw/zinc/96/30/91/451963091.db2.gz YXEZYCOIYLRRDW-LJQANCHMSA-N 2 0 345.487 1.771 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)C[C@H](C)O1 ZINC000649288308 451963197 /nfs/dbraw/zinc/96/31/97/451963197.db2.gz JTLTVMPAFYGFNX-BUSDAAPNSA-N 2 0 343.471 1.377 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649294401 451970822 /nfs/dbraw/zinc/97/08/22/451970822.db2.gz RPDJUGYXPXUKMB-HNNXBMFYSA-N 2 0 334.468 1.007 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649299441 451977227 /nfs/dbraw/zinc/97/72/27/451977227.db2.gz VQLDHYUSXWJNSS-CYBMUJFWSA-N 2 0 344.419 1.135 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]2)c1 ZINC000649318930 451997695 /nfs/dbraw/zinc/99/76/95/451997695.db2.gz WHAAJRTVSSYSKP-LJQANCHMSA-N 2 0 349.475 1.402 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649323771 452003431 /nfs/dbraw/zinc/00/34/31/452003431.db2.gz YLVDBVBJSGNJEV-RDJZCZTQSA-N 2 0 331.460 1.564 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000647017367 452006594 /nfs/dbraw/zinc/00/65/94/452006594.db2.gz BPJWJUFLJKLYDQ-HOTGVXAUSA-N 2 0 338.496 1.097 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000649332769 452014882 /nfs/dbraw/zinc/01/48/82/452014882.db2.gz DHOAMBMOMXWNQT-SFHVURJKSA-N 2 0 335.448 1.724 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C1(CCOC)CC[NH2+]CC1 ZINC000649334909 452016660 /nfs/dbraw/zinc/01/66/60/452016660.db2.gz WCKQRQDQUYGPKP-INIZCTEOSA-N 2 0 325.497 1.773 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[C@@H]1c1cccs1 ZINC000649340983 452020929 /nfs/dbraw/zinc/02/09/29/452020929.db2.gz FHXHIPYPGWFRTK-IJEWVQPXSA-N 2 0 337.489 1.483 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000647053941 452032273 /nfs/dbraw/zinc/03/22/73/452032273.db2.gz ZHOQVEYYNPKSJF-ITQYTPKQSA-N 2 0 343.471 1.887 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[C@H](c2ccccc2)C1 ZINC000649350610 452032705 /nfs/dbraw/zinc/03/27/05/452032705.db2.gz SBQHTKVZVQZBLF-YRXWBPOGSA-N 2 0 342.487 1.232 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]3C[NH3+])CC2)nc1 ZINC000649374026 452048752 /nfs/dbraw/zinc/04/87/52/452048752.db2.gz DPZKZFJRKHDDQH-DLBZAZTESA-N 2 0 345.491 1.167 20 0 EDADRP [NH3+]C1(CNC(=O)C[C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000647090631 452055480 /nfs/dbraw/zinc/05/54/80/452055480.db2.gz GJXHZMYNGPOJEQ-KRWDZBQOSA-N 3 0 330.476 1.096 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000649414716 452075615 /nfs/dbraw/zinc/07/56/15/452075615.db2.gz SNKBHSXESQOFEJ-QGZVFWFLSA-N 2 0 326.444 1.955 20 0 EDADRP CC[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649416862 452080243 /nfs/dbraw/zinc/08/02/43/452080243.db2.gz OEBDWBZOHFEYEV-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP Cc1ncsc1CC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420732 452083252 /nfs/dbraw/zinc/08/32/52/452083252.db2.gz DWNBEQWZBNVTKQ-HUUCEWRRSA-N 2 0 349.504 1.214 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@@H]3CCC[NH2+]3)no2)CC1=O ZINC000647152921 452093918 /nfs/dbraw/zinc/09/39/18/452093918.db2.gz PEBLNYDAXIYFBY-MJBXVCDLSA-N 2 0 333.436 1.294 20 0 EDADRP CCN(CCC[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)CC(F)(F)F ZINC000639766350 452108365 /nfs/dbraw/zinc/10/83/65/452108365.db2.gz MZUDAGQJPQWKJU-CQSZACIVSA-N 2 0 325.419 1.649 20 0 EDADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647179484 452108716 /nfs/dbraw/zinc/10/87/16/452108716.db2.gz ACEYDGHTISEQCN-UHFFFAOYSA-N 2 0 329.441 1.295 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000637860006 452118598 /nfs/dbraw/zinc/11/85/98/452118598.db2.gz JKBHDTGKONXKBF-FZKQIMNGSA-N 2 0 327.428 1.901 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000637861025 452119555 /nfs/dbraw/zinc/11/95/55/452119555.db2.gz QXQVTQCAUPTJFP-BEFAXECRSA-N 2 0 340.471 1.782 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000637867863 452124641 /nfs/dbraw/zinc/12/46/41/452124641.db2.gz XCRWFADKIORXBO-INIZCTEOSA-N 2 0 326.485 1.304 20 0 EDADRP CN(c1ccccc1C[NH2+][C@H]1C[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000651939309 452180536 /nfs/dbraw/zinc/18/05/36/452180536.db2.gz AJFZPJCOFTUALW-IYBDPMFKSA-N 2 0 330.476 1.571 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)[NH+]2CCCC2)cc1 ZINC000645160089 452184961 /nfs/dbraw/zinc/18/49/61/452184961.db2.gz YOUPIJIQJBQVRP-SJORKVTESA-N 2 0 331.460 1.946 20 0 EDADRP Nc1nc(NC2CC[NH+](C[C@H]3CCOC3)CC2)c2c([nH+]1)CCCC2 ZINC000645174341 452193015 /nfs/dbraw/zinc/19/30/15/452193015.db2.gz NVUJCZNKQYQTJI-CYBMUJFWSA-N 2 0 331.464 1.272 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000643455781 452232744 /nfs/dbraw/zinc/23/27/44/452232744.db2.gz ZRIAFJTYSUXBKE-GVDBMIGSSA-N 2 0 325.497 1.363 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000647522566 452257353 /nfs/dbraw/zinc/25/73/53/452257353.db2.gz ODWKXIISKLCQNL-UXHICEINSA-N 2 0 328.456 1.673 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655470099 452264126 /nfs/dbraw/zinc/26/41/26/452264126.db2.gz JSNQEDDVGWWJEQ-MJGOQNOKSA-N 2 0 328.460 1.804 20 0 EDADRP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000641808394 452287694 /nfs/dbraw/zinc/28/76/94/452287694.db2.gz NCTRNVHKTMPMFQ-PSBWJHGTSA-N 2 0 346.519 1.853 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522982 452291227 /nfs/dbraw/zinc/29/12/27/452291227.db2.gz VIVPZIYLVKZMAG-ZIAGYGMSSA-N 2 0 325.478 1.744 20 0 EDADRP CC(C)Oc1cncc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000654155577 452297314 /nfs/dbraw/zinc/29/73/14/452297314.db2.gz NBKXNIFBGYASLG-UHFFFAOYSA-N 2 0 338.456 1.221 20 0 EDADRP [NH3+]CC1(CCNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000652127964 452324535 /nfs/dbraw/zinc/32/45/35/452324535.db2.gz KIPSLMJOGKSJOE-UHFFFAOYSA-N 2 0 330.476 1.863 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000659471010 452328666 /nfs/dbraw/zinc/32/86/66/452328666.db2.gz KJWSPYDIVBAAAE-LSDHHAIUSA-N 2 0 326.485 1.133 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638060838 452351263 /nfs/dbraw/zinc/35/12/63/452351263.db2.gz SJSNXHIWAYGXEX-IBGZPJMESA-N 2 0 346.519 1.682 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCCOC1 ZINC000638062651 452358909 /nfs/dbraw/zinc/35/89/09/452358909.db2.gz IJFZUXZPOGJZPE-LJQANCHMSA-N 2 0 349.450 1.662 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000638067928 452370130 /nfs/dbraw/zinc/37/01/30/452370130.db2.gz WBMPMKAXEPWIQT-LJQANCHMSA-N 2 0 345.487 1.899 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000659511677 452375931 /nfs/dbraw/zinc/37/59/31/452375931.db2.gz ZHUNDTUQEDBLBC-GOSISDBHSA-N 2 0 330.476 1.697 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659516394 452379496 /nfs/dbraw/zinc/37/94/96/452379496.db2.gz QNSNTSIITPRPQS-KRWDZBQOSA-N 2 0 331.464 1.345 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000659515609 452380624 /nfs/dbraw/zinc/38/06/24/452380624.db2.gz CKHMDHRDIYTBBE-KRWDZBQOSA-N 2 0 331.464 1.345 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N[C@H]1CC[NH2+]C1 ZINC000659517161 452381034 /nfs/dbraw/zinc/38/10/34/452381034.db2.gz XWKWYXFDDLGELX-MSOLQXFVSA-N 2 0 342.487 1.950 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663644711 452388195 /nfs/dbraw/zinc/38/81/95/452388195.db2.gz ZSOXJXQTFXSYLC-WBVHZDCISA-N 2 0 338.496 1.101 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC[NH2+]1 ZINC000659545327 452402912 /nfs/dbraw/zinc/40/29/12/452402912.db2.gz ZSKNWVIVWVHUHV-JLSDUUJJSA-N 2 0 346.475 1.193 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC000652219934 452414143 /nfs/dbraw/zinc/41/41/43/452414143.db2.gz PMVSCDSKQMZWER-IXDOHACOSA-N 2 0 334.464 1.472 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659560832 452416400 /nfs/dbraw/zinc/41/64/00/452416400.db2.gz BGQFBWSBKHITDD-BVPBIZIASA-N 2 0 348.466 1.911 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCO1 ZINC000663682063 452418702 /nfs/dbraw/zinc/41/87/02/452418702.db2.gz KUFASVUDCMWTET-BRWVUGGUSA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654382487 452435024 /nfs/dbraw/zinc/43/50/24/452435024.db2.gz XHLZDAXMFDFHJA-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659580823 452435341 /nfs/dbraw/zinc/43/53/41/452435341.db2.gz FTVOHDNVBALLDU-BMGDILEWSA-N 2 0 348.466 1.912 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000659588312 452443539 /nfs/dbraw/zinc/44/35/39/452443539.db2.gz XSCMPYXXHGKUNY-RLNQZENFSA-N 2 0 346.475 1.662 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652318946 452491458 /nfs/dbraw/zinc/49/14/58/452491458.db2.gz HFLURJAZQPRQLU-UHFFFAOYSA-N 2 0 339.528 1.091 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC000659641687 452505287 /nfs/dbraw/zinc/50/52/87/452505287.db2.gz QQQXMOLOKXIFPC-KZNAEPCWSA-N 2 0 334.508 1.877 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NCc3ccccc3)C2)C1 ZINC000652345765 452519941 /nfs/dbraw/zinc/51/99/41/452519941.db2.gz LICKTRQPJHHPNU-KZNAEPCWSA-N 2 0 331.460 1.521 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)(N2CCCCC2)CC1 ZINC000647788680 452522545 /nfs/dbraw/zinc/52/25/45/452522545.db2.gz ONPJNSGKQIBMAE-GUDVDZBRSA-N 3 0 334.552 1.914 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCn3ccnc32)CC1 ZINC000655721616 452536826 /nfs/dbraw/zinc/53/68/26/452536826.db2.gz QQDRSWKDIAOIMW-MRXNPFEDSA-N 2 0 347.507 1.934 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)N2CCc3ccccc32)C1 ZINC000652360295 452541656 /nfs/dbraw/zinc/54/16/56/452541656.db2.gz DUHONTFYACXLOH-BHIYHBOVSA-N 2 0 343.471 1.937 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(F)c1 ZINC000655909594 452666065 /nfs/dbraw/zinc/66/60/65/452666065.db2.gz BKEHCGXXGCONLZ-RYUDHWBXSA-N 2 0 336.333 1.617 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)Cc2ccccc2C1 ZINC000655920970 452683894 /nfs/dbraw/zinc/68/38/94/452683894.db2.gz VCMKNYGEKIMBFB-CYBMUJFWSA-N 2 0 344.381 1.274 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@@H]1C ZINC000661983253 452735790 /nfs/dbraw/zinc/73/57/90/452735790.db2.gz UAYIWFSLPUHNON-YQQAZPJKSA-N 2 0 338.496 1.364 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[C@H]1C ZINC000661983251 452736550 /nfs/dbraw/zinc/73/65/50/452736550.db2.gz UAYIWFSLPUHNON-HLLBOEOZSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655958514 452738480 /nfs/dbraw/zinc/73/84/80/452738480.db2.gz LXQGPQFEKYYGHN-IAOVAPTHSA-N 2 0 344.459 1.778 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000655967590 452747335 /nfs/dbraw/zinc/74/73/35/452747335.db2.gz YFUZYJJEVXDRJM-KRWDZBQOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(OCCO)CCOC1 ZINC000658143629 452750575 /nfs/dbraw/zinc/75/05/75/452750575.db2.gz BOBPTOLHRGHKNC-YZGWKJHDSA-N 2 0 348.487 1.655 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655973863 452756046 /nfs/dbraw/zinc/75/60/46/452756046.db2.gz JSZOTWSJCVIHJB-IAGOWNOFSA-N 2 0 338.496 1.543 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000652612610 452771531 /nfs/dbraw/zinc/77/15/31/452771531.db2.gz XDDIQVUFDNIEAH-LSDHHAIUSA-N 2 0 334.468 1.298 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000652612648 452771676 /nfs/dbraw/zinc/77/16/76/452771676.db2.gz YJVJMOVIQFJAKR-HNNXBMFYSA-N 2 0 334.468 1.298 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc2ccccc2n1 ZINC000664127639 452807508 /nfs/dbraw/zinc/80/75/08/452807508.db2.gz VQVUJBUUDHVCRB-UHFFFAOYSA-N 2 0 343.475 1.918 20 0 EDADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)C1CCC([NH3+])CC1 ZINC000648117411 452833265 /nfs/dbraw/zinc/83/32/65/452833265.db2.gz ZEDIWTFYCZGHFC-NFOMZHRRSA-N 2 0 336.505 1.907 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000648116466 452833451 /nfs/dbraw/zinc/83/34/51/452833451.db2.gz LNHWCRIPAKZTJP-JQHSSLGASA-N 2 0 330.476 1.927 20 0 EDADRP COCCC1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[NH2+]CC1 ZINC000648132450 452846081 /nfs/dbraw/zinc/84/60/81/452846081.db2.gz RGWMJPOXOYFMFP-UHFFFAOYSA-N 2 0 335.423 1.816 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC[NH+]2CCCCC2)C1 ZINC000650583198 452857198 /nfs/dbraw/zinc/85/71/98/452857198.db2.gz VMQOSXHEXHBHNV-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP CC1(OCC(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C[NH2+]C1 ZINC000648152094 452864106 /nfs/dbraw/zinc/86/41/06/452864106.db2.gz PUTGKOFZGMXXMV-UHFFFAOYSA-N 2 0 345.487 1.532 20 0 EDADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000648167874 452877984 /nfs/dbraw/zinc/87/79/84/452877984.db2.gz BNPQUJZYBCEEKD-QEJZJMRPSA-N 2 0 327.419 1.707 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)CC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000648175926 452887249 /nfs/dbraw/zinc/88/72/49/452887249.db2.gz FWWCKXYNDXYESN-HDMKZQKVSA-N 2 0 333.480 1.451 20 0 EDADRP C[C@@H](O)[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482961 452899849 /nfs/dbraw/zinc/89/98/49/452899849.db2.gz SPZZLQLKVPKXBP-VQIMIIECSA-N 2 0 334.460 1.743 20 0 EDADRP Cc1nc(-c2ccncc2)nc(NCCN(C)CCC[NH+](C)C)c1C ZINC000664247840 452927514 /nfs/dbraw/zinc/92/75/14/452927514.db2.gz SKRRXPGWQIGWTH-UHFFFAOYSA-N 2 0 342.491 1.873 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000658424422 452949349 /nfs/dbraw/zinc/94/93/49/452949349.db2.gz NQNNZPZYOFTNQU-CQSZACIVSA-N 2 0 334.464 1.452 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000660054988 452970036 /nfs/dbraw/zinc/97/00/36/452970036.db2.gz ATICNMTYTHWXFV-CALCHBBNSA-N 2 0 338.540 1.354 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCSc2ccc(F)cc2F)C1 ZINC000662243515 452970572 /nfs/dbraw/zinc/97/05/72/452970572.db2.gz MLRWTSIRUNYKCS-LBPRGKRZSA-N 2 0 343.443 1.844 20 0 EDADRP C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000662256195 452985283 /nfs/dbraw/zinc/98/52/83/452985283.db2.gz UDGOIXSYTGGZEA-IAGOWNOFSA-N 2 0 329.444 1.635 20 0 EDADRP OCC[N@H+](CCOCC(F)(F)F)Cc1cccc2c1CC[NH2+]C2 ZINC000662258968 452987570 /nfs/dbraw/zinc/98/75/70/452987570.db2.gz ZIEQGLNLTPDGBU-UHFFFAOYSA-N 2 0 332.366 1.706 20 0 EDADRP CCc1nsc(N2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662262025 452994074 /nfs/dbraw/zinc/99/40/74/452994074.db2.gz CTUUEOGOTWDFFB-CYBMUJFWSA-N 2 0 337.493 1.134 20 0 EDADRP COc1ccnc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1OC ZINC000662285123 453009035 /nfs/dbraw/zinc/00/90/35/453009035.db2.gz XIIFKXFLUIZKNB-YSVLISHTSA-N 2 0 335.448 1.960 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293402 453016983 /nfs/dbraw/zinc/01/69/83/453016983.db2.gz ROHVXJCILWTSLW-AABGKKOBSA-N 3 0 331.504 1.629 20 0 EDADRP c1cnn(CC[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)c1 ZINC000662327322 453046940 /nfs/dbraw/zinc/04/69/40/453046940.db2.gz NGBNTWJNJGZESR-UHFFFAOYSA-N 2 0 328.464 1.953 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662351053 453067090 /nfs/dbraw/zinc/06/70/90/453067090.db2.gz IJJJCLSYWUSPTB-CQSZACIVSA-N 2 0 334.468 1.197 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664410635 453071898 /nfs/dbraw/zinc/07/18/98/453071898.db2.gz YBJURFWXJJCNRH-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387281 453096276 /nfs/dbraw/zinc/09/62/76/453096276.db2.gz ROXFHPJIIWRSCR-KFWWJZLASA-N 2 0 333.480 1.584 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662396433 453106656 /nfs/dbraw/zinc/10/66/56/453106656.db2.gz AVCGZLQLNPGTBS-HNNXBMFYSA-N 2 0 332.448 1.842 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000666754340 453117726 /nfs/dbraw/zinc/11/77/26/453117726.db2.gz LGFXKKNLJZYARJ-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000666754809 453120569 /nfs/dbraw/zinc/12/05/69/453120569.db2.gz UTCMKXGAKOLWOI-ULQDDVLXSA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000646121921 453136236 /nfs/dbraw/zinc/13/62/36/453136236.db2.gz YVODURIATVXGEN-RTBURBONSA-N 2 0 344.503 1.576 20 0 EDADRP [NH3+]CCOCC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000646140210 453147969 /nfs/dbraw/zinc/14/79/69/453147969.db2.gz ALFOEYCEDQCWAY-IBGZPJMESA-N 2 0 331.460 1.476 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000662444064 453149688 /nfs/dbraw/zinc/14/96/88/453149688.db2.gz DLGNQKYKBMCDOC-IRXDYDNUSA-N 2 0 325.497 1.853 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000660269285 453163020 /nfs/dbraw/zinc/16/30/20/453163020.db2.gz DBHJEEJWQIJJEW-SFHVURJKSA-N 2 0 346.475 1.263 20 0 EDADRP [NH3+][C@H](c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656455286 453196209 /nfs/dbraw/zinc/19/62/09/453196209.db2.gz BRBVPBNINIYBKN-KBAYOESNSA-N 2 0 327.432 1.904 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000646189609 453202084 /nfs/dbraw/zinc/20/20/84/453202084.db2.gz XOXXQYHBMMCELL-SJLPKXTDSA-N 2 0 328.460 1.738 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)c2cc(C3CC[NH2+]CC3)no2)c1 ZINC000662491056 453207612 /nfs/dbraw/zinc/20/76/12/453207612.db2.gz ZOVDVBWYNXFFDJ-UHFFFAOYSA-N 2 0 329.404 1.851 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)CC(C)C ZINC000662493643 453209779 /nfs/dbraw/zinc/20/97/79/453209779.db2.gz OACICVUVTCSVIJ-LSDHHAIUSA-N 2 0 335.496 1.973 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@H]21 ZINC000662502069 453217583 /nfs/dbraw/zinc/21/75/83/453217583.db2.gz HNQBXEDNMNJQNG-GDBMZVCRSA-N 2 0 332.448 1.698 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655121726 453239265 /nfs/dbraw/zinc/23/92/65/453239265.db2.gz PBKNXDYJDIXEIE-OALUTQOASA-N 2 0 345.487 1.472 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977517 453296443 /nfs/dbraw/zinc/29/64/43/453296443.db2.gz BSIRAUCCFTUCLB-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC12CCOCC2 ZINC000662572000 453297919 /nfs/dbraw/zinc/29/79/19/453297919.db2.gz VNESRFGSYMWICC-NVXWUHKLSA-N 2 0 329.444 1.435 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113066 453298953 /nfs/dbraw/zinc/29/89/53/453298953.db2.gz RYIZWRMPGKNOOG-ICSRJNTNSA-N 2 0 343.471 1.251 20 0 EDADRP C[C@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@H+](C)Cc1ccccc1 ZINC000653124169 453317730 /nfs/dbraw/zinc/31/77/30/453317730.db2.gz SFWKHWWGZIIRIN-AYBZRNKSSA-N 2 0 331.460 1.249 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000651193073 453343944 /nfs/dbraw/zinc/34/39/44/453343944.db2.gz KINQODXTGQYTJG-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646378363 453355074 /nfs/dbraw/zinc/35/50/74/453355074.db2.gz JMHWKJJLWIIKDE-ARFHVFGLSA-N 2 0 346.479 1.054 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)c2ccnc(C[NH3+])c2)C1 ZINC000662659099 453371423 /nfs/dbraw/zinc/37/14/23/453371423.db2.gz OQYTWPVBRBVDSE-LJQANCHMSA-N 2 0 338.455 1.929 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000662659580 453374136 /nfs/dbraw/zinc/37/41/36/453374136.db2.gz SQLUQMAKQFZFKM-ZWKOTPCHSA-N 2 0 347.528 1.857 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000662661890 453375249 /nfs/dbraw/zinc/37/52/49/453375249.db2.gz WMDWWXGMMYFNON-OKZBNKHCSA-N 2 0 347.459 1.312 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192207 453382073 /nfs/dbraw/zinc/38/20/73/453382073.db2.gz ITRCBHQWEPOMQI-XWTMOSNGSA-N 2 0 331.460 1.301 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000662679163 453398563 /nfs/dbraw/zinc/39/85/63/453398563.db2.gz KYUOSQYRQTWGBC-PMPSAXMXSA-N 2 0 348.495 1.585 20 0 EDADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000662687128 453407829 /nfs/dbraw/zinc/40/78/29/453407829.db2.gz UBCQKTQVRUCPHF-GUYCJALGSA-N 2 0 341.415 1.400 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1(C)C ZINC000662686944 453408637 /nfs/dbraw/zinc/40/86/37/453408637.db2.gz RPTBWUZCHJQFRB-MDZRGWNJSA-N 2 0 347.459 1.819 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662690486 453409808 /nfs/dbraw/zinc/40/98/08/453409808.db2.gz ABKDQXWSTJMUFI-KSZLIROESA-N 2 0 331.460 1.379 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000662696511 453416823 /nfs/dbraw/zinc/41/68/23/453416823.db2.gz MDBFNBQSXCMXMF-QZTJIDSGSA-N 2 0 331.460 1.379 20 0 EDADRP O=C([C@H]1CCC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298320 453419854 /nfs/dbraw/zinc/41/98/54/453419854.db2.gz FEWGLELDEUINJZ-GBESFXJTSA-N 2 0 343.471 1.176 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C3([NH2+]C4CC4)CCC3)CC2)CC1 ZINC000662699677 453420558 /nfs/dbraw/zinc/42/05/58/453420558.db2.gz FOIVRGVZBYTXMX-UHFFFAOYSA-N 2 0 334.508 1.336 20 0 EDADRP O=C(NC1CC[NH+](C2CCC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000653248007 453434559 /nfs/dbraw/zinc/43/45/59/453434559.db2.gz WILDNHHDDOEWJT-UHFFFAOYSA-N 2 0 343.475 1.930 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCCc1ccc2c[nH]nc2c1 ZINC000664849786 453445943 /nfs/dbraw/zinc/44/59/43/453445943.db2.gz HYUXHGJWXYPPSE-UHFFFAOYSA-N 2 0 346.479 1.288 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662740451 453466526 /nfs/dbraw/zinc/46/65/26/453466526.db2.gz UVWYWFCEIRVLQO-WFASDCNBSA-N 2 0 349.397 1.146 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000664895436 453470241 /nfs/dbraw/zinc/47/02/41/453470241.db2.gz FVCWHSOIGOBNAD-AWEZNQCLSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000664898438 453470465 /nfs/dbraw/zinc/47/04/65/453470465.db2.gz ZUVXYZXCIQGSKQ-FUHWJXTLSA-N 2 0 332.492 1.895 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662756497 453494693 /nfs/dbraw/zinc/49/46/93/453494693.db2.gz IFXNQJDCUUQSJA-GOSISDBHSA-N 2 0 344.503 1.703 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758907 453497227 /nfs/dbraw/zinc/49/72/27/453497227.db2.gz VCZTUMBUOPPLSF-KRWDZBQOSA-N 2 0 330.476 1.761 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000660696647 453520337 /nfs/dbraw/zinc/52/03/37/453520337.db2.gz TXTLTTXBBQDXAT-IAGOWNOFSA-N 2 0 327.513 1.168 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662791381 453525519 /nfs/dbraw/zinc/52/55/19/453525519.db2.gz LMMIXQHPUMICIM-GJZGRUSLSA-N 2 0 336.484 1.443 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)CC3([NH3+])CC3)CC[N@@H+]2C2CC2)c1 ZINC000662800084 453534601 /nfs/dbraw/zinc/53/46/01/453534601.db2.gz YGSHIQMJZIRAGN-SJLPKXTDSA-N 2 0 329.444 1.971 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662814060 453546494 /nfs/dbraw/zinc/54/64/94/453546494.db2.gz NUCNTFBZYNLDNR-MOPGFXCFSA-N 2 0 343.471 1.691 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1c1ccccc1F ZINC000662817225 453549118 /nfs/dbraw/zinc/54/91/18/453549118.db2.gz RUNNXADIWOXHSD-NJZAAPMLSA-N 2 0 345.340 1.621 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000662832258 453558843 /nfs/dbraw/zinc/55/88/43/453558843.db2.gz GWKCMOMJMDCAHA-ZWKOTPCHSA-N 2 0 331.460 1.708 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328040 453560323 /nfs/dbraw/zinc/56/03/23/453560323.db2.gz CJQZUNYTJXFTPY-CEXWTWQISA-N 2 0 342.487 1.997 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1(n2cccn2)CC[NH2+]CC1 ZINC000662836739 453562279 /nfs/dbraw/zinc/56/22/79/453562279.db2.gz DBPIFIYQSZGYEJ-CVEARBPZSA-N 2 0 331.464 1.095 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)CC(C)(C)[NH3+])CC2)c1 ZINC000662845862 453567012 /nfs/dbraw/zinc/56/70/12/453567012.db2.gz XWVYKQVCQJYVOQ-UHFFFAOYSA-N 2 0 332.492 1.703 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000658997079 453572618 /nfs/dbraw/zinc/57/26/18/453572618.db2.gz UFARUCKHAIXLTR-INIZCTEOSA-N 2 0 348.495 1.688 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857895 453573317 /nfs/dbraw/zinc/57/33/17/453573317.db2.gz CRNDLRSCVHZTQU-HKUYNNGSSA-N 2 0 331.460 1.402 20 0 EDADRP CN(C(=O)[C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899407 453593309 /nfs/dbraw/zinc/59/33/09/453593309.db2.gz CMXJCDHRUXURKO-SJORKVTESA-N 2 0 334.508 1.003 20 0 EDADRP C[NH+](C)CC1(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000659041787 453596205 /nfs/dbraw/zinc/59/62/05/453596205.db2.gz IZFSZZJIDCEPBM-INIZCTEOSA-N 2 0 332.448 1.953 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659089490 453624857 /nfs/dbraw/zinc/62/48/57/453624857.db2.gz CSNJYSAARQJVAU-KGLIPLIRSA-N 2 0 346.475 1.881 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282889 453634384 /nfs/dbraw/zinc/63/43/84/453634384.db2.gz DLBAFDJXNSBASN-RNQOJCNYSA-N 2 0 346.519 1.145 20 0 EDADRP CC1(C)[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C[C@@H]1Oc1ccccc1 ZINC000665292537 453639488 /nfs/dbraw/zinc/63/94/88/453639488.db2.gz CDIKVSKFNANJTB-CABCVRRESA-N 2 0 328.416 1.977 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000663002420 453642882 /nfs/dbraw/zinc/64/28/82/453642882.db2.gz FPERRMXTQXWFAB-HUUCEWRRSA-N 2 0 331.464 1.338 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000659112878 453643810 /nfs/dbraw/zinc/64/38/10/453643810.db2.gz SOLSKUPYNUQVMD-KBPBESRZSA-N 2 0 346.475 1.709 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000659114270 453645266 /nfs/dbraw/zinc/64/52/66/453645266.db2.gz MLIVSUJLGUAMQF-GJZGRUSLSA-N 2 0 346.475 1.581 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000659295257 453705834 /nfs/dbraw/zinc/70/58/34/453705834.db2.gz SMHQLMJMCSUZAK-QGZVFWFLSA-N 2 0 337.427 1.664 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000659351694 453725455 /nfs/dbraw/zinc/72/54/55/453725455.db2.gz MPJBAUJYZDAEEI-ZMMAXQRCSA-N 2 0 331.435 1.777 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665553875 453745393 /nfs/dbraw/zinc/74/53/93/453745393.db2.gz BGELFZNNZJUOOS-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657305386 453761736 /nfs/dbraw/zinc/76/17/36/453761736.db2.gz DNWABQLBHOVQKI-UHFFFAOYSA-N 2 0 333.402 1.555 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C[C@@H]1CCOC1)C1CC1 ZINC000665637424 453777646 /nfs/dbraw/zinc/77/76/46/453777646.db2.gz CLAOIBCBGHRADO-HOTGVXAUSA-N 2 0 340.512 1.469 20 0 EDADRP Cn1ncc(C(F)(F)F)c1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657387101 453779719 /nfs/dbraw/zinc/77/97/19/453779719.db2.gz QCAZLFLSFIOZNQ-UHFFFAOYSA-N 2 0 333.402 1.555 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc(C(N)=O)c1 ZINC000663456252 453802990 /nfs/dbraw/zinc/80/29/90/453802990.db2.gz ZUSXEXIQINNPMO-ZDUSSCGKSA-N 2 0 335.452 1.179 20 0 EDADRP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000679942397 486678411 /nfs/dbraw/zinc/67/84/11/486678411.db2.gz NHDAMZJPFKHIKS-SJORKVTESA-N 2 0 348.491 1.514 20 0 EDADRP C[C@@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)[C@H]1CCC[NH2+]C1 ZINC000515164895 486734959 /nfs/dbraw/zinc/73/49/59/486734959.db2.gz XTVYNMFANFZXKW-WBVHZDCISA-N 2 0 325.460 2.533 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000683665237 486783109 /nfs/dbraw/zinc/78/31/09/486783109.db2.gz WEOAKLMSLOAUAA-HKUYNNGSSA-N 2 0 342.524 1.987 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000667559462 486845583 /nfs/dbraw/zinc/84/55/83/486845583.db2.gz NJGQTPTWPANJMU-CQSZACIVSA-N 2 0 346.475 1.853 20 0 EDADRP CCC[C@@H](O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000676745896 486860997 /nfs/dbraw/zinc/86/09/97/486860997.db2.gz NTUPMNJFFJLLMG-QGZVFWFLSA-N 2 0 334.464 1.261 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000667809133 486975880 /nfs/dbraw/zinc/97/58/80/486975880.db2.gz IXOFUYHIPZRYEE-CABCVRRESA-N 2 0 331.464 1.894 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccccc4)C3=O)C2)CC1 ZINC000677296888 487036377 /nfs/dbraw/zinc/03/63/77/487036377.db2.gz VJAHMHNFEQXFTK-AEFFLSMTSA-N 2 0 341.455 1.982 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000673670617 487085616 /nfs/dbraw/zinc/08/56/16/487085616.db2.gz HPMVMFBYIUQYMT-GOSISDBHSA-N 2 0 344.503 1.458 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)C1 ZINC000673706340 487096866 /nfs/dbraw/zinc/09/68/66/487096866.db2.gz IKWXKHNHZGROSL-ROUUACIJSA-N 2 0 334.508 1.844 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668162746 487126495 /nfs/dbraw/zinc/12/64/95/487126495.db2.gz GYDAFFOBEHDHQU-HXUWFJFHSA-N 2 0 347.503 1.924 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1(C)C ZINC000685042563 487220110 /nfs/dbraw/zinc/22/01/10/487220110.db2.gz DLAVAUPXIZSBOK-UHFFFAOYSA-N 2 0 344.503 1.694 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)C2 ZINC000685602760 487301389 /nfs/dbraw/zinc/30/13/89/487301389.db2.gz RXRCYXPUDPKJOK-WMZOPIPTSA-N 2 0 346.475 1.467 20 0 EDADRP CC(C)c1cnc(CN(C)[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000675233564 487392010 /nfs/dbraw/zinc/39/20/10/487392010.db2.gz WUDXNMLTVZPZIW-GJZGRUSLSA-N 2 0 334.464 1.925 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000682591569 487393285 /nfs/dbraw/zinc/39/32/85/487393285.db2.gz ZSOMHDKYGGIXOP-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2nccnc2N2CCC[C@H]([NH+](C)C)C2)C1 ZINC000679391232 487421322 /nfs/dbraw/zinc/42/13/22/487421322.db2.gz QFXJWKUTZLIYKL-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675891805 487457212 /nfs/dbraw/zinc/45/72/12/487457212.db2.gz UAPDXXCWEUSQKP-MRXNPFEDSA-N 2 0 346.435 1.746 20 0 EDADRP Cn1nnnc1CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000679721788 487461601 /nfs/dbraw/zinc/46/16/01/487461601.db2.gz RRPRHYCPKCDFMI-KZNAEPCWSA-N 2 0 340.475 1.643 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000669562600 485571463 /nfs/dbraw/zinc/57/14/63/485571463.db2.gz VYLRDMQMHYRGJC-MFKMUULPSA-N 2 0 332.370 1.955 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000669570466 485589429 /nfs/dbraw/zinc/58/94/29/485589429.db2.gz WBWMXVUSRLMYRD-GOSISDBHSA-N 2 0 346.475 1.329 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669573736 485605796 /nfs/dbraw/zinc/60/57/96/485605796.db2.gz CHSIWPFSBGATFR-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669573791 485606122 /nfs/dbraw/zinc/60/61/22/485606122.db2.gz YINQGPPANHOHOM-OTWHNJEPSA-N 2 0 342.487 1.902 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000669583457 485632156 /nfs/dbraw/zinc/63/21/56/485632156.db2.gz DDJKFXNDWHZDCS-NUJGCVRESA-N 2 0 348.491 1.664 20 0 EDADRP C[C@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000672947046 485742134 /nfs/dbraw/zinc/74/21/34/485742134.db2.gz RKRFQPGPNNZBMN-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(-n2cnnn2)c1 ZINC000669618878 485826362 /nfs/dbraw/zinc/82/63/62/485826362.db2.gz XYVHAISPKKIZKE-OAHLLOKOSA-N 2 0 343.479 1.339 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(N[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000584523906 485869982 /nfs/dbraw/zinc/86/99/82/485869982.db2.gz KCIUSGLNTBGWIL-AEFFLSMTSA-N 2 0 330.476 1.923 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000668623246 485963607 /nfs/dbraw/zinc/96/36/07/485963607.db2.gz GEEFGRLDBZNTGN-SQWLQELKSA-N 2 0 336.436 1.174 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668649536 485994492 /nfs/dbraw/zinc/99/44/92/485994492.db2.gz QLXFKIDMPOOMMV-BZSNNMDCSA-N 2 0 330.476 1.553 20 0 EDADRP CC1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]CC1 ZINC000669389526 486025421 /nfs/dbraw/zinc/02/54/21/486025421.db2.gz KSHAIHQZXBTDDF-UHFFFAOYSA-N 2 0 340.537 1.789 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[NH2+]C3CC3)CC2)c1 ZINC000151557617 486106917 /nfs/dbraw/zinc/10/69/17/486106917.db2.gz DPIJGPJOJLHWBB-UHFFFAOYSA-N 2 0 330.476 1.375 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669420171 486138891 /nfs/dbraw/zinc/13/88/91/486138891.db2.gz COEOTGWHLIUWIM-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669459257 486213289 /nfs/dbraw/zinc/21/32/89/486213289.db2.gz ZZLWYBPJCJEATM-RTBURBONSA-N 2 0 344.503 1.992 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000670787446 486220121 /nfs/dbraw/zinc/22/01/21/486220121.db2.gz GQGLLKBOHOPVHL-HNNXBMFYSA-N 2 0 327.432 1.233 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000668839886 486248735 /nfs/dbraw/zinc/24/87/35/486248735.db2.gz GCPRYOGGHIAGHK-QAPCUYQASA-N 2 0 348.491 1.786 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261712595 486646992 /nfs/dbraw/zinc/64/69/92/486646992.db2.gz JGOUUWHWPZURQG-XMTFNYHQSA-N 2 0 336.524 1.378 20 0 EDADRP COC1CC[NH+](CCNC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000079998935 491168986 /nfs/dbraw/zinc/16/89/86/491168986.db2.gz SFASXUNMJGWRBU-UHFFFAOYSA-N 2 0 349.475 1.468 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000669007252 491184484 /nfs/dbraw/zinc/18/44/84/491184484.db2.gz OVSTUECFUAMVME-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP CC(=O)NCC[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000347666051 534448273 /nfs/dbraw/zinc/44/82/73/534448273.db2.gz GGNXHHUTLVMJGI-IBGZPJMESA-N 2 0 338.540 1.641 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000152890921 528996248 /nfs/dbraw/zinc/99/62/48/528996248.db2.gz NMWVIWXIZQNSCO-UHFFFAOYSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)(CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@@H+]1CCc2ccccc2C1 ZINC000261640707 535135589 /nfs/dbraw/zinc/13/55/89/535135589.db2.gz DKGQGWQDBOGNSK-SJORKVTESA-N 2 0 331.460 1.446 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000339496393 535185736 /nfs/dbraw/zinc/18/57/36/535185736.db2.gz BOBVURQPHZKGSW-SFHVURJKSA-N 2 0 332.492 1.895 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000352567825 535265711 /nfs/dbraw/zinc/26/57/11/535265711.db2.gz PUKAGGXWZQUVHJ-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C1(C)C ZINC000249060898 535440743 /nfs/dbraw/zinc/44/07/43/535440743.db2.gz GRAKBOJCDHXIBK-HDMKZQKVSA-N 2 0 325.497 1.900 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000339497428 535467791 /nfs/dbraw/zinc/46/77/91/535467791.db2.gz HLADZETVKBIYMJ-GOSISDBHSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339946986 535587684 /nfs/dbraw/zinc/58/76/84/535587684.db2.gz SCZSJRDUTYEWRD-DLBZAZTESA-N 2 0 341.544 1.288 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261860580 535611027 /nfs/dbraw/zinc/61/10/27/535611027.db2.gz SEIPYSMBYIFQPQ-GOSISDBHSA-N 2 0 333.476 1.899 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC1CC[NH+](CCOC)CC1)c1ccccc1 ZINC000264028485 535759816 /nfs/dbraw/zinc/75/98/16/535759816.db2.gz LUICNWQTRMTWTR-GOSISDBHSA-N 2 0 333.476 1.906 20 0 EDADRP C[NH+](C)CCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C1CCCC1 ZINC000344061808 535841689 /nfs/dbraw/zinc/84/16/89/535841689.db2.gz JPBVZHMHDZVJRN-QGZVFWFLSA-N 2 0 342.553 1.940 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261660026 535877003 /nfs/dbraw/zinc/87/70/03/535877003.db2.gz BDBZMIGTFMMSEE-YOEHRIQHSA-N 2 0 334.464 1.626 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1 ZINC000261970305 535917022 /nfs/dbraw/zinc/91/70/22/535917022.db2.gz QLVKGRQAXWOMOT-OTWHNJEPSA-N 2 0 347.503 1.874 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393113 535952037 /nfs/dbraw/zinc/95/20/37/535952037.db2.gz FUXMHTYBZXVRGT-RDJZCZTQSA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262739751 535953039 /nfs/dbraw/zinc/95/30/39/535953039.db2.gz JCSVJVMRNSSEDU-AEFFLSMTSA-N 2 0 341.459 1.840 20 0 EDADRP CN(C(=O)C1(C[NH3+])CCOCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261589229 535960014 /nfs/dbraw/zinc/96/00/14/535960014.db2.gz WCYPHNZBMSPPFB-UHFFFAOYSA-N 2 0 345.487 1.865 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc3c(c2)C[NH2+]C3)cc1 ZINC000261762694 536019007 /nfs/dbraw/zinc/01/90/07/536019007.db2.gz XWTXPNKUBVKPID-UHFFFAOYSA-N 2 0 345.468 1.830 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000272069006 536332837 /nfs/dbraw/zinc/33/28/37/536332837.db2.gz JEKIDBBRXBPBCJ-UHFFFAOYSA-N 2 0 343.475 1.607 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3([NH3+])CC3)cc2)CC1 ZINC000262708658 536342453 /nfs/dbraw/zinc/34/24/53/536342453.db2.gz OJBWCFFXIWRKGM-UHFFFAOYSA-N 2 0 331.420 1.332 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261880084 536433218 /nfs/dbraw/zinc/43/32/18/536433218.db2.gz PCMATPFXMKTWHK-KRWDZBQOSA-N 2 0 331.460 1.475 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262832166 536564732 /nfs/dbraw/zinc/56/47/32/536564732.db2.gz HYGDFIMJPWWJTI-SFHVURJKSA-N 2 0 348.491 1.069 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262778708 536566020 /nfs/dbraw/zinc/56/60/20/536566020.db2.gz KMVPJGPZSKANJP-JKSUJKDBSA-N 2 0 339.867 1.957 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262889536 536566667 /nfs/dbraw/zinc/56/66/67/536566667.db2.gz OLSCHVJJASQJHH-DAYGRLMNSA-N 2 0 349.475 1.276 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)CC[C@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000261928066 536754820 /nfs/dbraw/zinc/75/48/20/536754820.db2.gz YPIQNYFUGZDLGA-INIZCTEOSA-N 2 0 337.508 1.916 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[NH+](C)C1 ZINC000348027832 536774555 /nfs/dbraw/zinc/77/45/55/536774555.db2.gz JYPUEHWHMBYMMP-XHSDSOJGSA-N 2 0 340.512 1.467 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](CC(C)C)C[NH+](C)C)[N@H+](C)C1 ZINC000346533525 536777900 /nfs/dbraw/zinc/77/79/00/536777900.db2.gz NQDGOJSYJSVPTI-OWCLPIDISA-N 2 0 328.501 1.323 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC1CC[NH+](CCCOC)CC1 ZINC000726908375 578491655 /nfs/dbraw/zinc/49/16/55/578491655.db2.gz YFPCBCAHNONPBW-INIZCTEOSA-N 2 0 342.553 1.436 20 0 EDADRP CN(C[C@@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000729543799 578581956 /nfs/dbraw/zinc/58/19/56/578581956.db2.gz QLJVLFQAKGFRCU-HOTGVXAUSA-N 2 0 341.496 1.632 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(O)cc2)CC1 ZINC000729926903 578597854 /nfs/dbraw/zinc/59/78/54/578597854.db2.gz SOHFLYJCTZIMED-CQSZACIVSA-N 2 0 335.448 1.355 20 0 EDADRP CC(C)[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000760466653 580031349 /nfs/dbraw/zinc/03/13/49/580031349.db2.gz FOVATKSPILMOGD-MRXNPFEDSA-N 2 0 326.554 1.913 20 0 EDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000733165263 578745607 /nfs/dbraw/zinc/74/56/07/578745607.db2.gz AKEVUKFOWXRXKB-ZWKOTPCHSA-N 2 0 332.492 1.996 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734275679 578804300 /nfs/dbraw/zinc/80/43/00/578804300.db2.gz AZJCVMGQTTWGEF-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+]1CCC(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734274928 578804329 /nfs/dbraw/zinc/80/43/29/578804329.db2.gz FMTAKXANQAODAA-KRWDZBQOSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC([N@H+](C)CCCO)CC1 ZINC000734309681 578806223 /nfs/dbraw/zinc/80/62/23/578806223.db2.gz PUHBGXPMUDQBAS-UHFFFAOYSA-N 2 0 344.569 1.227 20 0 EDADRP C[C@H](CC[NH+]1CCC2(CC1)OCCO2)[NH+]1CCC2(CC1)OCCO2 ZINC000746499431 579598561 /nfs/dbraw/zinc/59/85/61/579598561.db2.gz KGZAQUXWIAOACU-MRXNPFEDSA-N 2 0 340.464 1.443 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CN1CCSC1=O ZINC000750734715 579779044 /nfs/dbraw/zinc/77/90/44/579779044.db2.gz MDQMNHYMULXWMX-CQSZACIVSA-N 2 0 342.509 1.030 20 0 EDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125430 579944052 /nfs/dbraw/zinc/94/40/52/579944052.db2.gz CRUPRTCAEBOULI-HONMWMINSA-N 2 0 326.824 1.684 20 0 EDADRP CC[C@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000758244905 579978244 /nfs/dbraw/zinc/97/82/44/579978244.db2.gz XXTIRLVNLOBUFO-DNVCBOLYSA-N 2 0 348.491 1.718 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605164 580124522 /nfs/dbraw/zinc/12/45/22/580124522.db2.gz DYFPNGYEKHOPKS-IAGOWNOFSA-N 2 0 325.497 1.726 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCSC3)CC2)nc1 ZINC000769013372 580225744 /nfs/dbraw/zinc/22/57/44/580225744.db2.gz QXCMEVHFFXUCRS-MRXNPFEDSA-N 2 0 335.521 1.864 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000770430841 580260283 /nfs/dbraw/zinc/26/02/83/580260283.db2.gz DJAKHKJZJIUKOP-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP CNC(=O)C1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000771761753 580293102 /nfs/dbraw/zinc/29/31/02/580293102.db2.gz BKZDWZHCGWVRIE-MRXNPFEDSA-N 2 0 346.475 1.054 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000773455840 580337848 /nfs/dbraw/zinc/33/78/48/580337848.db2.gz PJRZOTBPWULMDV-KLHDSHLOSA-N 2 0 325.497 1.863 20 0 EDADRP CN(CC[N@H+](C)Cc1ccc(OCC(N)=O)cc1)C1CC[NH+](C)CC1 ZINC000774731005 580372363 /nfs/dbraw/zinc/37/23/63/580372363.db2.gz RRYNRJCMBHQPBP-UHFFFAOYSA-N 2 0 348.491 1.009 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000781861581 580558927 /nfs/dbraw/zinc/55/89/27/580558927.db2.gz MKLSZQSVPIUZAR-INIZCTEOSA-N 2 0 327.513 1.802 20 0 EDADRP COC(=O)[C@]1(NCC[NH+]2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000782495179 580576216 /nfs/dbraw/zinc/57/62/16/580576216.db2.gz WSNIOHXKJHKDBL-FQEVSTJZSA-N 2 0 345.487 1.880 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795899519 580940584 /nfs/dbraw/zinc/94/05/84/580940584.db2.gz NCDBQUGEIFGSHE-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1(C)C ZINC000799726975 581035470 /nfs/dbraw/zinc/03/54/70/581035470.db2.gz UEXRPERYAWXXAI-ILXRZTDVSA-N 2 0 329.579 1.982 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891818801 590636100 /nfs/dbraw/zinc/63/61/00/590636100.db2.gz YKDYNLDMGKOEEK-KBAYOESNSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@]12CN(C(=O)NC[C@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892000135 590737126 /nfs/dbraw/zinc/73/71/26/590737126.db2.gz QKASKKLKJGKLSD-NLWGTHIKSA-N 2 0 342.487 1.902 20 0 EDADRP COCC1(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000892113317 590806380 /nfs/dbraw/zinc/80/63/80/590806380.db2.gz CIOZOLYBUMMYEG-UHFFFAOYSA-N 2 0 340.512 1.565 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000890882408 590829731 /nfs/dbraw/zinc/82/97/31/590829731.db2.gz WSHSGPXGSNDWGC-UHFFFAOYSA-N 2 0 347.507 1.493 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC23CC[NH+](C)CC3)CCSC1 ZINC000893415874 590856214 /nfs/dbraw/zinc/85/62/14/590856214.db2.gz HGCNZSLZCVZHHD-INIZCTEOSA-N 2 0 326.510 1.303 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000892255446 590889778 /nfs/dbraw/zinc/88/97/78/590889778.db2.gz INYZYWCISCJNQZ-IKICRFKJSA-N 2 0 346.475 1.662 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[NH2+]C23CCC3)c1 ZINC000892275339 590907165 /nfs/dbraw/zinc/90/71/65/590907165.db2.gz ULTHMYZUCOJFGN-IRXDYDNUSA-N 2 0 344.459 1.636 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000892280501 590910146 /nfs/dbraw/zinc/91/01/46/590910146.db2.gz BGWGXVOZZPYXBQ-GVDBMIGSSA-N 2 0 332.448 1.492 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892286368 590914832 /nfs/dbraw/zinc/91/48/32/590914832.db2.gz KBWYBWDGBXNMMH-CNMWIUBYSA-N 2 0 336.524 1.946 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892388510 591005823 /nfs/dbraw/zinc/00/58/23/591005823.db2.gz XDGHQGQAIUTTSY-GJZGRUSLSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000893620508 591013359 /nfs/dbraw/zinc/01/33/59/591013359.db2.gz CRUFBLRRRHHULD-OQIJWPOYSA-N 2 0 342.487 1.852 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000892456380 591033716 /nfs/dbraw/zinc/03/37/16/591033716.db2.gz ZVEUNXHYZLIXSE-DSXPZYJUSA-N 2 0 336.480 1.280 20 0 EDADRP CCCN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000892477501 591041096 /nfs/dbraw/zinc/04/10/96/591041096.db2.gz CTYLQQVVEUQVQS-INIZCTEOSA-N 2 0 334.468 1.756 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000891388638 591066093 /nfs/dbraw/zinc/06/60/93/591066093.db2.gz RJQQPBZWGCAMDR-CJNGLKHVSA-N 2 0 334.439 1.921 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000891491688 591091679 /nfs/dbraw/zinc/09/16/79/591091679.db2.gz BILJGQTWOSQFHI-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP CCN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000891509336 591099212 /nfs/dbraw/zinc/09/92/12/591099212.db2.gz SXXSFPSTPPUOQM-OALUTQOASA-N 2 0 344.503 1.944 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCCC(C)(C)[NH3+])cc1 ZINC000891515056 591102462 /nfs/dbraw/zinc/10/24/62/591102462.db2.gz IGWNVHFLXPDTIH-UHFFFAOYSA-N 2 0 336.480 1.596 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000891518380 591104899 /nfs/dbraw/zinc/10/48/99/591104899.db2.gz PWWLOXBXHHEQIH-RHSMWYFYSA-N 2 0 346.475 1.274 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000891536058 591111680 /nfs/dbraw/zinc/11/16/80/591111680.db2.gz CBOZETMPDVYEGN-MSOLQXFVSA-N 2 0 348.491 1.357 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000891558950 591125241 /nfs/dbraw/zinc/12/52/41/591125241.db2.gz BQNRQWLCOMEGLM-CRAIPNDOSA-N 2 0 344.459 1.588 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[NH2+]CCC34CCC4)C2)CC1 ZINC000891559622 591126573 /nfs/dbraw/zinc/12/65/73/591126573.db2.gz GIOMHMDXFBSDPZ-MRXNPFEDSA-N 3 0 349.523 1.083 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000893915303 591136447 /nfs/dbraw/zinc/13/64/47/591136447.db2.gz XICMNPANTIPOFX-OAHLLOKOSA-N 2 0 349.479 1.163 20 0 EDADRP Cn1cnc(CNC(=O)N[C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000893922552 591139231 /nfs/dbraw/zinc/13/92/31/591139231.db2.gz GRKJSJIPMWJMLG-CVEARBPZSA-N 2 0 349.385 1.943 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)C1 ZINC000891597006 591141705 /nfs/dbraw/zinc/14/17/05/591141705.db2.gz DBKUTAZYMAYSCZ-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000891598409 591143086 /nfs/dbraw/zinc/14/30/86/591143086.db2.gz SQWIKUODNSPKAN-MRXNPFEDSA-N 2 0 340.512 1.374 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000891634011 591160281 /nfs/dbraw/zinc/16/02/81/591160281.db2.gz COQKFAPRYZPYDK-UHFFFAOYSA-N 2 0 340.512 1.789 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCSC1 ZINC000891639753 591162740 /nfs/dbraw/zinc/16/27/40/591162740.db2.gz SSGWKSKKMUJCOI-FUHWJXTLSA-N 2 0 348.516 1.437 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1nc(Cl)nc2nc[nH]c21 ZINC000892787600 591176597 /nfs/dbraw/zinc/17/65/97/591176597.db2.gz SBWHYWJDTUXHFX-UHFFFAOYSA-N 2 0 339.875 1.716 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891672431 591178335 /nfs/dbraw/zinc/17/83/35/591178335.db2.gz ANCPRFRHBGSPOO-DNIRFERGSA-N 2 0 334.386 1.248 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804168 591183741 /nfs/dbraw/zinc/18/37/41/591183741.db2.gz AHSFTBRCHTWRGM-QZTJIDSGSA-N 2 0 330.476 1.827 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892808203 591186964 /nfs/dbraw/zinc/18/69/64/591186964.db2.gz LZBKNCGVZNGFIU-QAPCUYQASA-N 2 0 330.476 1.684 20 0 EDADRP CN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892809072 591187735 /nfs/dbraw/zinc/18/77/35/591187735.db2.gz RWILNYORSASMMG-AEFFLSMTSA-N 2 0 328.460 1.579 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000894105434 591195636 /nfs/dbraw/zinc/19/56/36/591195636.db2.gz IUEOXQVLMQXTNG-BVIKNXMNSA-N 2 0 334.508 1.985 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@H]2C[C@@]2(C)Br)CC1 ZINC000892880159 591215432 /nfs/dbraw/zinc/21/54/32/591215432.db2.gz WHHRNKWAFQECEJ-IUODEOHRSA-N 2 0 346.313 1.692 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)NC[C@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000892902208 591220080 /nfs/dbraw/zinc/22/00/80/591220080.db2.gz GUVCWZAQVKVELM-QRQLOZEOSA-N 2 0 344.503 1.973 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000892943109 591232641 /nfs/dbraw/zinc/23/26/41/591232641.db2.gz DHWIUIMOSJQIPX-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)CN2CCOCC2)CC1 ZINC000892981919 591246568 /nfs/dbraw/zinc/24/65/68/591246568.db2.gz VPKZHZRKWUTJRD-HXUWFJFHSA-N 2 0 331.504 1.861 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000892992744 591249096 /nfs/dbraw/zinc/24/90/96/591249096.db2.gz YFAVZSLFTUDTJF-MVCQKVDPSA-N 2 0 343.519 1.807 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@H](c2ccccc2)C1 ZINC000893018346 591255944 /nfs/dbraw/zinc/25/59/44/591255944.db2.gz FIORDDDQVQXWIZ-LMMKCTJWSA-N 2 0 342.487 1.868 20 0 EDADRP COC(=O)[C@]1(O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000895708067 591257259 /nfs/dbraw/zinc/25/72/59/591257259.db2.gz OEJFQDCQKRXOSY-IBGZPJMESA-N 2 0 348.443 1.271 20 0 EDADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000895809644 591274240 /nfs/dbraw/zinc/27/42/40/591274240.db2.gz NZWHDKWWEHYIKA-LJQANCHMSA-N 2 0 349.519 1.822 20 0 EDADRP COC[C@@H](O)C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894684785 591388617 /nfs/dbraw/zinc/38/86/17/591388617.db2.gz QFAIXHMAPXUCRJ-LBPRGKRZSA-N 2 0 332.347 1.167 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894815334 591428032 /nfs/dbraw/zinc/42/80/32/591428032.db2.gz KWGOPEGNEFGRMF-BBWFWOEESA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898596084 591429521 /nfs/dbraw/zinc/42/95/21/591429521.db2.gz PEUXCOHNXZOEIY-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896353632 591434856 /nfs/dbraw/zinc/43/48/56/591434856.db2.gz YOBFBWFSMONHKN-AOIWGVFYSA-N 2 0 349.519 1.820 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)C[C@H]2C1 ZINC000896609155 591552028 /nfs/dbraw/zinc/55/20/28/591552028.db2.gz XCAKPDAJZCXTPO-GIOYIUAESA-N 2 0 334.508 1.987 20 0 EDADRP CC[N@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)CCC(F)(F)F ZINC000897561002 591555162 /nfs/dbraw/zinc/55/51/62/591555162.db2.gz VKXBBKXZESCSFS-ZDUSSCGKSA-N 2 0 337.386 1.098 20 0 EDADRP C[NH+](C)CC[C@@H](NC1CC[NH+](CC(C)(C)O)CC1)c1cccnc1 ZINC000896716217 591592770 /nfs/dbraw/zinc/59/27/70/591592770.db2.gz FWLOOUAGGZNQMO-GOSISDBHSA-N 2 0 334.508 1.899 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)[C@@H]1c1ccccc1 ZINC000897905610 591715807 /nfs/dbraw/zinc/71/58/07/591715807.db2.gz OJPQGFUYLOKNLA-RDGPPVDQSA-N 2 0 343.471 1.659 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cccc3c2CCOC3)C[C@H]1C[NH+](C)C ZINC000895418705 591751123 /nfs/dbraw/zinc/75/11/23/591751123.db2.gz OUDCIANKRCUCFQ-RTBURBONSA-N 2 0 331.504 1.931 20 0 EDADRP COCCOc1ccc(CN2CCO[C@H](CCC[NH+](C)C)C2)o1 ZINC000895472663 591769777 /nfs/dbraw/zinc/76/97/77/591769777.db2.gz IZVCSMITCALLAZ-OAHLLOKOSA-N 2 0 326.437 1.847 20 0 EDADRP c1cc(N2CCC([NH2+]C[C@H]3CCN3C3CCOCC3)CC2)cc[nH+]1 ZINC000897227365 591778556 /nfs/dbraw/zinc/77/85/56/591778556.db2.gz CRSITMYVRGXYDU-LJQANCHMSA-N 3 0 330.476 1.893 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898141010 591800778 /nfs/dbraw/zinc/80/07/78/591800778.db2.gz VWURTYUFRZLGHK-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000899991304 591859754 /nfs/dbraw/zinc/85/97/54/591859754.db2.gz HDDDZOVCGNCIBN-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013685 591872663 /nfs/dbraw/zinc/87/26/63/591872663.db2.gz OAIZEDCJICOIST-QUCCMNQESA-N 2 0 345.487 1.787 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)Cc1ccccc1 ZINC000900174144 591938219 /nfs/dbraw/zinc/93/82/19/591938219.db2.gz QIGKAJCDJCVDST-BJLQDIEVSA-N 2 0 347.503 1.511 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000900285238 591971568 /nfs/dbraw/zinc/97/15/68/591971568.db2.gz MBAGEGBDTVBRTF-QGZVFWFLSA-N 2 0 347.438 1.617 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000900291275 591974383 /nfs/dbraw/zinc/97/43/83/591974383.db2.gz RYXDGENEXUETTJ-QGZVFWFLSA-N 2 0 334.464 1.557 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316699 591976556 /nfs/dbraw/zinc/97/65/56/591976556.db2.gz BXQZDLZJRKOXJS-GJZGRUSLSA-N 2 0 330.476 1.732 20 0 EDADRP C[NH+]1CCC2(CCN2C[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000899911199 591979465 /nfs/dbraw/zinc/97/94/65/591979465.db2.gz RQSLZOKBRMKBLZ-IBGZPJMESA-N 2 0 329.488 1.576 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902336545 591980701 /nfs/dbraw/zinc/98/07/01/591980701.db2.gz NIIMDDBHAVJTDJ-QGZVFWFLSA-N 3 0 331.508 1.701 20 0 EDADRP CCNS(=O)(=O)CC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902361984 591986852 /nfs/dbraw/zinc/98/68/52/591986852.db2.gz QIJFWPQKSYZARP-HNNXBMFYSA-N 2 0 349.447 1.664 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900335922 591988047 /nfs/dbraw/zinc/98/80/47/591988047.db2.gz NJXNITSLUKZTIS-HOTGVXAUSA-N 2 0 349.523 1.931 20 0 EDADRP C/C(=C\C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)CN1CCOCC1 ZINC000900339882 591988744 /nfs/dbraw/zinc/98/87/44/591988744.db2.gz SJRKTPSCSVAQJG-QRYYFKOISA-N 2 0 337.508 1.892 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000899942193 591989176 /nfs/dbraw/zinc/98/91/76/591989176.db2.gz OXOQQQBOELYORT-LJQANCHMSA-N 2 0 346.519 1.822 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902516008 592009417 /nfs/dbraw/zinc/00/94/17/592009417.db2.gz BNSXNDAKQKLSTD-QJPTWQEYSA-N 2 0 325.844 1.664 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900413370 592011775 /nfs/dbraw/zinc/01/17/75/592011775.db2.gz VKLVKCOCPYZNHF-UHFFFAOYSA-N 2 0 335.496 1.781 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CNc3ccccn3)CC2)CC1 ZINC000900444930 592028603 /nfs/dbraw/zinc/02/86/03/592028603.db2.gz CURRSPXXTIPKJY-UHFFFAOYSA-N 2 0 331.464 1.168 20 0 EDADRP [NH3+]C[C@@]12CC[C@@H]1CCN2c1cc(N2CC[C@H]3CC[C@@]32C[NH3+])ncn1 ZINC000900445939 592029275 /nfs/dbraw/zinc/02/92/75/592029275.db2.gz OLUWNXJGJKUBMD-DTDBQYNISA-N 2 0 328.464 1.112 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNc1ccccn1 ZINC000900482064 592030678 /nfs/dbraw/zinc/03/06/78/592030678.db2.gz YPNGOQXOTXVWDN-MRXNPFEDSA-N 2 0 333.480 1.368 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900694436 592087994 /nfs/dbraw/zinc/08/79/94/592087994.db2.gz HZYWFYRMQKAFRB-MSOLQXFVSA-N 2 0 336.524 1.393 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900696528 592089114 /nfs/dbraw/zinc/08/91/14/592089114.db2.gz ZTTHUQPDHLELNK-GTPINHCMSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900760285 592109297 /nfs/dbraw/zinc/10/92/97/592109297.db2.gz TZGLWNBGAULZGY-SZMVWBNQSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903093324 592121990 /nfs/dbraw/zinc/12/19/90/592121990.db2.gz RDIICSNDCHXAIA-LSDHHAIUSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC[C@@H]1CC(=O)N(C)C1 ZINC000903217877 592141098 /nfs/dbraw/zinc/14/10/98/592141098.db2.gz FMIQEPAHFUOIAR-JFIYKMOQSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1ccc(F)c(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1F ZINC000903420937 592170787 /nfs/dbraw/zinc/17/07/87/592170787.db2.gz GYUBJGORHDPSEW-CQSZACIVSA-N 2 0 337.414 1.917 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470829 592175280 /nfs/dbraw/zinc/17/52/80/592175280.db2.gz DQQHINULKZEDPN-SJORKVTESA-N 2 0 330.476 1.280 20 0 EDADRP CCCCC[C@H](C)NC(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903491764 592184867 /nfs/dbraw/zinc/18/48/67/592184867.db2.gz ABOWISMIVIWZMI-AFIMGQEJSA-N 2 0 339.480 1.284 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C[C@H]1CC[NH3+] ZINC000903496905 592188295 /nfs/dbraw/zinc/18/82/95/592188295.db2.gz JORIXJSFTRQYON-KZNAEPCWSA-N 2 0 344.503 1.546 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497445 592188497 /nfs/dbraw/zinc/18/84/97/592188497.db2.gz XMIXOGQRPIGENY-FGTMMUONSA-N 2 0 344.503 1.640 20 0 EDADRP O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)NC1CCCC1 ZINC000903509194 592189855 /nfs/dbraw/zinc/18/98/55/592189855.db2.gz DDEFXLNOZZKPBU-HDICACEKSA-N 2 0 334.508 1.336 20 0 EDADRP CC(C)N(C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)C(C)C ZINC000903510835 592190503 /nfs/dbraw/zinc/19/05/03/592190503.db2.gz LMSYCFWMDWXZSJ-HDICACEKSA-N 2 0 336.524 1.532 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903532667 592208578 /nfs/dbraw/zinc/20/85/78/592208578.db2.gz IZZJHMUKDXPKDQ-UHFFFAOYSA-N 2 0 339.505 1.260 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)n1 ZINC000904353838 592237769 /nfs/dbraw/zinc/23/77/69/592237769.db2.gz SJSZGCDPQHPWIL-UHFFFAOYSA-N 2 0 336.484 1.674 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)o3)CC2)C1 ZINC000904372275 592240294 /nfs/dbraw/zinc/24/02/94/592240294.db2.gz AFVUNMRBWHZFTJ-FUHWJXTLSA-N 3 0 348.491 1.408 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000904373425 592240921 /nfs/dbraw/zinc/24/09/21/592240921.db2.gz QKPLIFFKTYKGIP-MSOLQXFVSA-N 2 0 343.471 1.589 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000904377388 592245056 /nfs/dbraw/zinc/24/50/56/592245056.db2.gz PNUJNUVATUCVPY-QGZVFWFLSA-N 2 0 332.492 1.901 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901133025 592251227 /nfs/dbraw/zinc/25/12/27/592251227.db2.gz AEPZKVFURIJHIQ-JEVOJNTISA-N 2 0 349.519 1.820 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906671529 592252597 /nfs/dbraw/zinc/25/25/97/592252597.db2.gz ROVMOGJEPOLNFZ-CQSZACIVSA-N 2 0 346.475 1.667 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)N1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000904516336 592275747 /nfs/dbraw/zinc/27/57/47/592275747.db2.gz YGQAXIRDNWBGSC-IAGOWNOFSA-N 2 0 330.432 1.353 20 0 EDADRP O=C1C[C@@H](c2ccccc2)[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723306 592283821 /nfs/dbraw/zinc/28/38/21/592283821.db2.gz UXZFHJPZZUYWHA-ROUUACIJSA-N 2 0 343.471 1.708 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)C1 ZINC000906713016 592284206 /nfs/dbraw/zinc/28/42/06/592284206.db2.gz WHGSBRXYORQQNG-QGZVFWFLSA-N 2 0 336.524 1.489 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000903726961 592286119 /nfs/dbraw/zinc/28/61/19/592286119.db2.gz PPXAWFZKIYVOPT-AZUAARDMSA-N 2 0 349.519 1.916 20 0 EDADRP CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903728561 592286207 /nfs/dbraw/zinc/28/62/07/592286207.db2.gz CCDZOOWXAZLPAL-WBVHZDCISA-N 2 0 339.386 1.604 20 0 EDADRP CC(C)C(=O)NC[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727640 592286441 /nfs/dbraw/zinc/28/64/41/592286441.db2.gz WKBJTJPADTVOFC-IAGOWNOFSA-N 2 0 337.508 1.629 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@H](C)C1 ZINC000904597552 592292520 /nfs/dbraw/zinc/29/25/20/592292520.db2.gz TYFOGIDLQJYBBH-KGLIPLIRSA-N 2 0 334.464 1.799 20 0 EDADRP Oc1cccc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903736236 592298964 /nfs/dbraw/zinc/29/89/64/592298964.db2.gz IOZWHDAOEQAAGQ-IBGZPJMESA-N 2 0 345.487 1.669 20 0 EDADRP Cc1csc(N2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@@H]2C)n1 ZINC000903740846 592303350 /nfs/dbraw/zinc/30/33/50/592303350.db2.gz ZWGUNHHNKYGCGN-YQQAZPJKSA-N 2 0 336.505 1.731 20 0 EDADRP Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c(N(C)C)n1 ZINC000906737102 592303414 /nfs/dbraw/zinc/30/34/14/592303414.db2.gz YVSFBIHFHSBLLC-ZDUSSCGKSA-N 2 0 333.436 1.043 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000904653061 592304260 /nfs/dbraw/zinc/30/42/60/592304260.db2.gz FZQCLMFWQXEIID-INIZCTEOSA-N 2 0 332.448 1.864 20 0 EDADRP COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760144 592306690 /nfs/dbraw/zinc/30/66/90/592306690.db2.gz VDBWFGNYGYWJBS-QSOKESPWSA-N 2 0 332.444 1.895 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCOC3CCSCC3)C2)nn1 ZINC000903761538 592308002 /nfs/dbraw/zinc/30/80/02/592308002.db2.gz VSUZSICIEURFNE-CQSZACIVSA-N 2 0 325.482 1.286 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)c1 ZINC000903783195 592321336 /nfs/dbraw/zinc/32/13/36/592321336.db2.gz WCZLIZYOFOMIDG-QYZOEREBSA-N 2 0 331.460 1.410 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](CNc3ccccn3)C2)cnn1C ZINC000903889641 592351300 /nfs/dbraw/zinc/35/13/00/592351300.db2.gz URYHKKGHJPOTSB-SJORKVTESA-N 2 0 342.491 1.675 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCC[C@@H](C(=O)OCC)C1 ZINC000908171040 592358686 /nfs/dbraw/zinc/35/86/86/592358686.db2.gz LTNYKFRUFJZJIC-CVEARBPZSA-N 2 0 339.480 1.252 20 0 EDADRP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000903913518 592376423 /nfs/dbraw/zinc/37/64/23/592376423.db2.gz DNTBMPHZFXLMJE-JGGQBBKZSA-N 2 0 329.439 1.717 20 0 EDADRP CC(=O)Nc1cccc(C[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903923510 592378343 /nfs/dbraw/zinc/37/83/43/592378343.db2.gz VYGSJFPFMLSHDI-INIZCTEOSA-N 2 0 329.448 1.594 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cnn1C ZINC000903929072 592382910 /nfs/dbraw/zinc/38/29/10/592382910.db2.gz AEBLRLAEUAOIEH-AYOQOUSVSA-N 3 0 349.523 1.064 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cnn1C ZINC000903931170 592383441 /nfs/dbraw/zinc/38/34/41/592383441.db2.gz ADDCQGNPKMQVDY-NXWXRZEISA-N 3 0 349.523 1.207 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCc2cn3c(cccc3C)n2)cnn1C ZINC000903931190 592384033 /nfs/dbraw/zinc/38/40/33/592384033.db2.gz AOPCEXQDAKFAFR-INIZCTEOSA-N 2 0 340.475 1.634 20 0 EDADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937844 592387159 /nfs/dbraw/zinc/38/71/59/592387159.db2.gz SKPVQGLFULQLHB-WBVHZDCISA-N 2 0 341.463 1.308 20 0 EDADRP CC(=O)N(Cc1noc(C)n1)[C@@H]1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903938095 592389464 /nfs/dbraw/zinc/38/94/64/592389464.db2.gz ZMFHNZMUMODVNU-NPYXIHBLSA-N 2 0 347.463 1.331 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CC2(O)C3CC4CC(C3)CC2C4)C1 ZINC000905081100 592389667 /nfs/dbraw/zinc/38/96/67/592389667.db2.gz GYMMLHCQBZBULU-HEARQBNBSA-N 2 0 349.519 1.351 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917530 592390799 /nfs/dbraw/zinc/39/07/99/592390799.db2.gz ZGNVXEULVIEXOB-JKSUJKDBSA-N 2 0 330.480 1.237 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000908229094 592393983 /nfs/dbraw/zinc/39/39/83/592393983.db2.gz FRHCOSLQIUTDEO-AYOQOUSVSA-N 2 0 343.471 1.486 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc3c(s1)CCCC3)C2 ZINC000903976992 592398187 /nfs/dbraw/zinc/39/81/87/592398187.db2.gz GWCMADYZRDDRCJ-JKDFXYPNSA-N 2 0 335.473 1.734 20 0 EDADRP CCc1nn(C)c(Cl)c1C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903978621 592399731 /nfs/dbraw/zinc/39/97/31/592399731.db2.gz IHPMTOGFKHMXKL-USBNGQNGSA-N 2 0 340.855 1.348 20 0 EDADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C1(O)CCOCC1 ZINC000905153412 592422849 /nfs/dbraw/zinc/42/28/49/592422849.db2.gz JQPRCJYYRNCZEK-OFLPRAFFSA-N 2 0 326.481 1.276 20 0 EDADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905154006 592423098 /nfs/dbraw/zinc/42/30/98/592423098.db2.gz MVNZLBQXHCVSGE-HIEASXQVSA-N 2 0 326.481 1.276 20 0 EDADRP C[NH2+]CCCCc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904104008 592426410 /nfs/dbraw/zinc/42/64/10/592426410.db2.gz JZIAIYOIQXMZCU-UHFFFAOYSA-N 2 0 330.436 1.426 20 0 EDADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCCC1 ZINC000905197027 592448398 /nfs/dbraw/zinc/44/83/98/592448398.db2.gz TVGIMKKWEUFFQL-SFHVURJKSA-N 2 0 333.476 1.944 20 0 EDADRP COc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000905294948 592487062 /nfs/dbraw/zinc/48/70/62/592487062.db2.gz MIDXTTHPFSKJAJ-IYBDPMFKSA-N 2 0 345.447 1.523 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908538022 592529584 /nfs/dbraw/zinc/52/95/84/592529584.db2.gz QGZRDIAICLZCIG-IBGZPJMESA-N 2 0 336.524 1.347 20 0 EDADRP O[C@@H](CNc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C[NH+]1CCCC1 ZINC000905438522 592534818 /nfs/dbraw/zinc/53/48/18/592534818.db2.gz LFCCRRDNIIDEKI-UXHICEINSA-N 2 0 344.503 1.840 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COCC(C)C)C2)[C@@H]1C(C)C ZINC000905503690 592546799 /nfs/dbraw/zinc/54/67/99/592546799.db2.gz SHQZUTKLPOATLW-JKEDJMADSA-N 2 0 342.524 1.479 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1cccnc1 ZINC000905660789 592600060 /nfs/dbraw/zinc/60/00/60/592600060.db2.gz MOVZCQHZTCOHQM-MRXNPFEDSA-N 2 0 335.521 1.633 20 0 EDADRP CCn1c([C@@H]2CN(C)C[C@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831713 592636484 /nfs/dbraw/zinc/63/64/84/592636484.db2.gz VYENWTIUUFLXGX-YRBFXIGRSA-N 2 0 348.495 1.078 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905907697 592676419 /nfs/dbraw/zinc/67/64/19/592676419.db2.gz MTBCFOYREXHQSX-RBUKOAKNSA-N 2 0 335.492 1.088 20 0 EDADRP O=C(N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000907877721 592826071 /nfs/dbraw/zinc/82/60/71/592826071.db2.gz MLBOWGWASVMLIS-HDICACEKSA-N 2 0 325.456 1.673 20 0 EDADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907937617 592849841 /nfs/dbraw/zinc/84/98/41/592849841.db2.gz FTTSVMKTRVIGEC-YJBOKZPZSA-N 2 0 334.464 1.803 20 0 EDADRP CC(C)(CNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCCCC1 ZINC000910960872 592904501 /nfs/dbraw/zinc/90/45/01/592904501.db2.gz XGHYOWNUVMPFFB-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000732891831 592934626 /nfs/dbraw/zinc/93/46/26/592934626.db2.gz VJCGDJMXWORUQB-UHFFFAOYSA-N 2 0 332.492 1.897 20 0 EDADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000911247801 592967478 /nfs/dbraw/zinc/96/74/78/592967478.db2.gz SGTPLXXCWBYOCM-AWEZNQCLSA-N 2 0 338.496 1.012 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634083 592970803 /nfs/dbraw/zinc/97/08/03/592970803.db2.gz ZGKZTTLDZHECHM-IEBWSBKVSA-N 2 0 333.476 1.690 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000911714097 592986348 /nfs/dbraw/zinc/98/63/48/592986348.db2.gz NTOQZGQAHJNHHY-NLZINVLXSA-N 2 0 331.460 1.899 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000911702151 592990343 /nfs/dbraw/zinc/99/03/43/592990343.db2.gz JNCPDMWPTSDUSK-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735254 592992766 /nfs/dbraw/zinc/99/27/66/592992766.db2.gz WBSLJJZVZOWIPN-HXUWFJFHSA-N 2 0 339.439 1.613 20 0 EDADRP C[NH2+]C1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000911787868 593008500 /nfs/dbraw/zinc/00/85/00/593008500.db2.gz XMBRLYMASWBJSS-UHFFFAOYSA-N 2 0 333.476 1.770 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)C1 ZINC000911825222 593017550 /nfs/dbraw/zinc/01/75/50/593017550.db2.gz OFHYMQZCYUQOPC-JSGCOSHPSA-N 2 0 336.505 1.885 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000912489309 593098720 /nfs/dbraw/zinc/09/87/20/593098720.db2.gz IBNULQFPLAZJSG-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000803202767 593309268 /nfs/dbraw/zinc/30/92/68/593309268.db2.gz YYQAHKNPOKQKMX-OAHLLOKOSA-N 2 0 348.491 1.163 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)c2ccccc2)CC1 ZINC000839602997 593348081 /nfs/dbraw/zinc/34/80/81/593348081.db2.gz WBEBARVZSKXTGE-VQTJNVASSA-N 2 0 347.503 1.935 20 0 EDADRP Cn1c2ccc(C[NH2+]CCCC[NH+]3CCN(C)CC3)cc2oc1=O ZINC000816535336 593530500 /nfs/dbraw/zinc/53/05/00/593530500.db2.gz MFXBHAHJFZLQIY-UHFFFAOYSA-N 2 0 332.448 1.249 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2ccsc2)CC[NH2+]CC1 ZINC000817896807 593646791 /nfs/dbraw/zinc/64/67/91/593646791.db2.gz UTJIBAZYACMUCR-TZMCWYRMSA-N 2 0 326.462 1.693 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)cc1 ZINC000817948112 593650984 /nfs/dbraw/zinc/65/09/84/593650984.db2.gz VYMCKIDEMRBCNF-CQSZACIVSA-N 2 0 347.484 1.947 20 0 EDADRP CON(C)C(=O)CC[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000818986410 593732500 /nfs/dbraw/zinc/73/25/00/593732500.db2.gz NOJJHLSBYZQAMG-UHFFFAOYSA-N 2 0 325.478 1.960 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818997866 593733081 /nfs/dbraw/zinc/73/30/81/593733081.db2.gz MUAUQLAKEIQZMH-IRXDYDNUSA-N 2 0 337.439 1.391 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000819233939 593745878 /nfs/dbraw/zinc/74/58/78/593745878.db2.gz OMUTYQRSCWVBAB-GPJFCIFZSA-N 2 0 347.503 1.015 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC000819287957 593748528 /nfs/dbraw/zinc/74/85/28/593748528.db2.gz SPXUCOSGHAEORV-INIZCTEOSA-N 2 0 327.419 1.614 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2COC3(CCCCC3)O2)CC1 ZINC000820828694 593899300 /nfs/dbraw/zinc/89/93/00/593899300.db2.gz AMKPGLQQWSXBOJ-MRXNPFEDSA-N 2 0 326.481 1.887 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821266462 594002435 /nfs/dbraw/zinc/00/24/35/594002435.db2.gz DGZQWQKGGCYQSH-CYBMUJFWSA-N 2 0 349.508 1.291 20 0 EDADRP C[C@@H]([NH2+]CCOc1ccc(-c2nn[nH]n2)cc1)C1CC[NH+](C)CC1 ZINC000824599281 594045696 /nfs/dbraw/zinc/04/56/96/594045696.db2.gz NQMZRCDKKFZIPI-CYBMUJFWSA-N 2 0 330.436 1.565 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824691453 594057279 /nfs/dbraw/zinc/05/72/79/594057279.db2.gz DGKNZHLXBCRHTR-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000822951265 594127401 /nfs/dbraw/zinc/12/74/01/594127401.db2.gz ONRMJOKYTLMUOM-ZFWWWQNUSA-N 2 0 342.447 1.739 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@H]4CCCC[NH2+]4)n3)c2)CC1 ZINC000822980074 594131261 /nfs/dbraw/zinc/13/12/61/594131261.db2.gz CGQPNPQYKOPTGV-CQSZACIVSA-N 2 0 328.420 1.698 20 0 EDADRP c1[nH+]cn2ccc(-c3noc(-c4cn([C@@H]5CCC[NH2+]C5)nn4)n3)cc12 ZINC000823162891 594163044 /nfs/dbraw/zinc/16/30/44/594163044.db2.gz CNDCSNCYJDBNTO-GFCCVEGCSA-N 2 0 336.359 1.567 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825576292 594202612 /nfs/dbraw/zinc/20/26/12/594202612.db2.gz DCYAAEYRPSIDFX-XJKSGUPXSA-N 2 0 332.452 1.874 20 0 EDADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000829645250 594231857 /nfs/dbraw/zinc/23/18/57/594231857.db2.gz GAHXERFLDPAGDI-OAGGEKHMSA-N 2 0 341.496 1.678 20 0 EDADRP c1cc(-c2nn[nH]n2)sc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000826515251 594513580 /nfs/dbraw/zinc/51/35/80/594513580.db2.gz RVYCXUIYYNKJAY-UHFFFAOYSA-N 2 0 348.476 1.472 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826668876 594550529 /nfs/dbraw/zinc/55/05/29/594550529.db2.gz XJUVJMJNZOHSFV-SFHVURJKSA-N 2 0 336.524 1.537 20 0 EDADRP O=[S@@](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CC(F)(F)F ZINC000826868346 594591146 /nfs/dbraw/zinc/59/11/46/594591146.db2.gz RGXAEUZYMZIXLP-QFIPXVFZSA-N 2 0 335.395 1.951 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nccc2[nH]ccc21 ZINC000827481814 594676206 /nfs/dbraw/zinc/67/62/06/594676206.db2.gz POVQESFZGNBXCB-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP CCO[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831756402 594700033 /nfs/dbraw/zinc/70/00/33/594700033.db2.gz HSHAZKCYCCVUDX-RTBURBONSA-N 2 0 347.503 1.982 20 0 EDADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000831786450 594703027 /nfs/dbraw/zinc/70/30/27/594703027.db2.gz DTJDWKUTXJCYJQ-UHFFFAOYSA-N 2 0 325.416 1.904 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]([NH3+])C(C)C)cc2)CC1 ZINC000841018145 594839623 /nfs/dbraw/zinc/83/96/23/594839623.db2.gz PXLWLNDBTFDAIY-KRWDZBQOSA-N 2 0 333.480 1.933 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000833552337 594872205 /nfs/dbraw/zinc/87/22/05/594872205.db2.gz JTQYZKYCDIZHAQ-YOEHRIQHSA-N 2 0 329.460 1.162 20 0 EDADRP O=C(C[NH2+]CC1CC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846357 594963744 /nfs/dbraw/zinc/96/37/44/594963744.db2.gz IOFIZGFVGPZKCX-MRXNPFEDSA-N 2 0 331.416 1.534 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1CC1 ZINC000841847315 594964702 /nfs/dbraw/zinc/96/47/02/594964702.db2.gz MMYMMTKPGYIYKV-MRXNPFEDSA-N 2 0 331.416 1.661 20 0 EDADRP COc1cc(-c2noc([C@H]3C[C@@H]([NH3+])C3)n2)ccc1OCC[NH+](C)C ZINC000843201743 595032282 /nfs/dbraw/zinc/03/22/82/595032282.db2.gz GKBVNEHWWOBHKK-BETUJISGSA-N 2 0 332.404 1.890 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000843348979 595083103 /nfs/dbraw/zinc/08/31/03/595083103.db2.gz BIABGNVUFRZGMP-UHFFFAOYSA-N 2 0 341.455 1.619 20 0 EDADRP NS(=O)(=O)c1ccc(OCC[N@H+]2[C@@H]3CCC[C@H]2CC([NH3+])C3)cc1 ZINC000843362151 595087827 /nfs/dbraw/zinc/08/78/27/595087827.db2.gz UARFYNBVNZWBOL-AGUYFDCRSA-N 2 0 339.461 1.057 20 0 EDADRP CC(=O)c1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000842482528 595118693 /nfs/dbraw/zinc/11/86/93/595118693.db2.gz WZQASYOWMGJHGO-UHFFFAOYSA-N 2 0 347.868 1.231 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000843494214 595129797 /nfs/dbraw/zinc/12/97/97/595129797.db2.gz PVANZGGEPZGFJN-HZPDHXFCSA-N 2 0 339.867 1.828 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000846222602 595178039 /nfs/dbraw/zinc/17/80/39/595178039.db2.gz VZOQPNWSKRGZLY-UHFFFAOYSA-N 2 0 344.503 1.712 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccccn2)C1 ZINC000846226839 595179296 /nfs/dbraw/zinc/17/92/96/595179296.db2.gz COZKZGFEIUUFKC-HYVNUMGLSA-N 2 0 332.448 1.059 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000844163697 595288150 /nfs/dbraw/zinc/28/81/50/595288150.db2.gz UDJFPHHVNHZOER-UHFFFAOYSA-N 2 0 333.432 1.876 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175668 595292513 /nfs/dbraw/zinc/29/25/13/595292513.db2.gz KCKKCTUNDOAVKX-BZUAXINKSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000844178203 595293392 /nfs/dbraw/zinc/29/33/92/595293392.db2.gz WJJLBYPRVBLAAT-OALUTQOASA-N 2 0 345.487 1.926 20 0 EDADRP CN(C(=O)COC1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183153 595294883 /nfs/dbraw/zinc/29/48/83/595294883.db2.gz UMKYCSXBCQUDFQ-UHFFFAOYSA-N 2 0 335.448 1.358 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000844190959 595297784 /nfs/dbraw/zinc/29/77/84/595297784.db2.gz HJWALOQXGCKFDS-HNNXBMFYSA-N 2 0 332.448 1.146 20 0 EDADRP O=C1O[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CN1C1CC1 ZINC000844301425 595319542 /nfs/dbraw/zinc/31/95/42/595319542.db2.gz VMPCOHQEOYWUHR-KRWDZBQOSA-N 2 0 337.464 1.546 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809003 595319641 /nfs/dbraw/zinc/31/96/41/595319641.db2.gz OKQMTHARNHEDEK-PBHICJAKSA-N 2 0 327.469 1.242 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(CC)C(=O)O2)[C@@H](C)C1 ZINC000846856775 595327511 /nfs/dbraw/zinc/32/75/11/595327511.db2.gz GWWHFCSUHVIBHJ-JYJNAYRXSA-N 2 0 327.469 1.554 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=[NH2+])N2CCSCC2)cc1 ZINC000849069013 595477533 /nfs/dbraw/zinc/47/75/33/595477533.db2.gz ZKESIBMWMNTNRH-UHFFFAOYSA-N 2 0 336.505 1.743 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=[NH2+])N(C)C2CC2)c1 ZINC000849080135 595478987 /nfs/dbraw/zinc/47/89/87/595478987.db2.gz XCMLGPTVOVHCHM-UHFFFAOYSA-N 2 0 334.464 1.762 20 0 EDADRP [NH2+]=C(NCCc1cn[nH]c1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849084404 595479569 /nfs/dbraw/zinc/47/95/69/595479569.db2.gz OXSANLNAXAKCOI-UHFFFAOYSA-N 2 0 326.448 1.731 20 0 EDADRP COc1ccc(OC)c(NC(=[NH2+])NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000849108472 595482913 /nfs/dbraw/zinc/48/29/13/595482913.db2.gz USCCHNYXAWHPJN-UHFFFAOYSA-N 2 0 349.479 1.666 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572596 595575584 /nfs/dbraw/zinc/57/55/84/595575584.db2.gz CFKOLTQIOKDGDR-IAGOWNOFSA-N 2 0 347.507 1.304 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849594040 595585360 /nfs/dbraw/zinc/58/53/60/595585360.db2.gz SFPSJUFHAGISEF-SZMVWBNQSA-N 2 0 349.523 1.692 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598326 595587605 /nfs/dbraw/zinc/58/76/05/595587605.db2.gz ZNZUFWPIYAXFAQ-BPQIPLTHSA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849599594 595589012 /nfs/dbraw/zinc/58/90/12/595589012.db2.gz CRRQXARQGCKZBY-SJORKVTESA-N 2 0 349.523 1.690 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602809 595589920 /nfs/dbraw/zinc/58/99/20/595589920.db2.gz QWCQGWJUOXYSRH-SJORKVTESA-N 2 0 347.507 1.446 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000852908446 595609813 /nfs/dbraw/zinc/60/98/13/595609813.db2.gz XQNYRKZZWZOJSB-MOPGFXCFSA-N 2 0 345.487 1.530 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+]C[C@@H](O)c2ccccn2)cc1 ZINC000853098104 595664274 /nfs/dbraw/zinc/66/42/74/595664274.db2.gz FRNRHVLGAYDIGS-LJQANCHMSA-N 2 0 329.444 1.888 20 0 EDADRP C[C@@H](CNC(=O)NCCN1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000853465160 595758177 /nfs/dbraw/zinc/75/81/77/595758177.db2.gz CMVDIEBBJFTHFU-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@H]2COC(C)(C)O2)CC1 ZINC000851763896 595913913 /nfs/dbraw/zinc/91/39/13/595913913.db2.gz YDIJQIPSHMFMMO-IRXDYDNUSA-N 2 0 325.497 1.630 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000851856881 595949710 /nfs/dbraw/zinc/94/97/10/595949710.db2.gz HAEGAJYKOFDPPD-QGZVFWFLSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211815 596005315 /nfs/dbraw/zinc/00/53/15/596005315.db2.gz ALWJMXBADQIUON-KRWDZBQOSA-N 2 0 339.505 1.462 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)OC)C2)ccn1 ZINC000856585532 596022018 /nfs/dbraw/zinc/02/20/18/596022018.db2.gz IKPHOAGTTXGVFS-KRWDZBQOSA-N 2 0 335.448 1.940 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000861541809 596022318 /nfs/dbraw/zinc/02/23/18/596022318.db2.gz IGPPEJSPXYRNHP-CQSZACIVSA-N 2 0 332.448 1.069 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C(C)C ZINC000852064841 596030065 /nfs/dbraw/zinc/03/00/65/596030065.db2.gz RXAHTIHSKOJIBK-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)C ZINC000861570409 596032379 /nfs/dbraw/zinc/03/23/79/596032379.db2.gz PKUFSDCKTNPYBL-OLZOCXBDSA-N 2 0 338.418 1.885 20 0 EDADRP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861717218 596078817 /nfs/dbraw/zinc/07/88/17/596078817.db2.gz YQWNNHDDXALRNZ-RBUKOAKNSA-N 2 0 343.471 1.102 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857101544 596157908 /nfs/dbraw/zinc/15/79/08/596157908.db2.gz WZNNIALXGQUAIP-GOSISDBHSA-N 2 0 333.476 1.804 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000866714378 596306276 /nfs/dbraw/zinc/30/62/76/596306276.db2.gz NMKLJZBWUKVALC-XYJFISCASA-N 2 0 343.427 1.031 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870896243 596394309 /nfs/dbraw/zinc/39/43/09/596394309.db2.gz IIUYNAMKXTZWAG-GWCFXTLKSA-N 2 0 328.254 1.905 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870923818 596407333 /nfs/dbraw/zinc/40/73/33/596407333.db2.gz ORKMLHDSEBOYMT-LVEJAMMSSA-N 2 0 334.508 1.131 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC(C)(F)F)C[C@H]1C[NH+](C)C ZINC000867589851 596449132 /nfs/dbraw/zinc/44/91/32/596449132.db2.gz MKOMMRAJAMFANN-CHWSQXEVSA-N 2 0 341.468 1.033 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(Cl)nc1 ZINC000119283415 596508959 /nfs/dbraw/zinc/50/89/59/596508959.db2.gz ROCJJCLOLMIEQO-UHFFFAOYSA-N 2 0 341.887 1.412 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NC(C2CC2)C2CC2)C[C@H]1C[NH+](C)C ZINC000865245803 596522311 /nfs/dbraw/zinc/52/23/11/596522311.db2.gz QITBRWSPPVGWCI-HZPDHXFCSA-N 2 0 338.565 1.721 20 0 EDADRP [NH3+]CCCOCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000863544898 596614002 /nfs/dbraw/zinc/61/40/02/596614002.db2.gz DYZGZTHWBVZWHM-MRXNPFEDSA-N 2 0 335.448 1.995 20 0 EDADRP CC(C)(C)OC(=O)N1CC2CC1(C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C2 ZINC000863564613 596619517 /nfs/dbraw/zinc/61/95/17/596619517.db2.gz YYLNHBJQPCUDKQ-SWKXRBFHSA-N 2 0 339.480 1.432 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3c(cnn3C)c2)CC1 ZINC000865594896 596621061 /nfs/dbraw/zinc/62/10/61/596621061.db2.gz YWKMVIHPBSRVMT-UHFFFAOYSA-N 2 0 330.480 1.474 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000869779321 596631450 /nfs/dbraw/zinc/63/14/50/596631450.db2.gz YWGWFJNHWJXLSS-RDJZCZTQSA-N 2 0 337.508 1.745 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCN3)C[C@H]1C[NH+](C)C ZINC000868161430 596706317 /nfs/dbraw/zinc/70/63/17/596706317.db2.gz ARHUIIONOWAYIC-HZPDHXFCSA-N 2 0 345.491 1.858 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000868166308 596707644 /nfs/dbraw/zinc/70/76/44/596707644.db2.gz JURUYIMSXWWOHN-UHFFFAOYSA-N 2 0 334.464 1.967 20 0 EDADRP Cn1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000870016648 596708814 /nfs/dbraw/zinc/70/88/14/596708814.db2.gz SNDOUXHJNVFMMI-HUUCEWRRSA-N 2 0 343.475 1.385 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(=O)[nH]c(C3CC3)c2)C[C@H]1C[NH+](C)C ZINC000870019501 596710912 /nfs/dbraw/zinc/71/09/12/596710912.db2.gz GYZSBVZRZKHFNG-HZPDHXFCSA-N 2 0 346.475 1.476 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnn2C2CCCC2)C[C@H]1C[NH+](C)C ZINC000870020159 596711268 /nfs/dbraw/zinc/71/12/68/596711268.db2.gz GDUDNIIPUJHWBB-HZPDHXFCSA-N 2 0 347.507 1.810 20 0 EDADRP COc1ccc(O)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019873 596711563 /nfs/dbraw/zinc/71/15/63/596711563.db2.gz UITPRFVNWDIIDZ-ZIAGYGMSSA-N 2 0 335.448 1.212 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)COC3)C[C@H]1C[NH+](C)C ZINC000870023446 596713202 /nfs/dbraw/zinc/71/32/02/596713202.db2.gz YLLLPELPSZSKMU-QZTJIDSGSA-N 2 0 331.460 1.528 20 0 EDADRP CC[C@H]1C[C@H](CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870022708 596713305 /nfs/dbraw/zinc/71/33/05/596713305.db2.gz YIBYPWHGEUGUDQ-TVFCKZIOSA-N 2 0 339.524 1.780 20 0 EDADRP COc1ccc(O)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024335 596713814 /nfs/dbraw/zinc/71/38/14/596713814.db2.gz YZLHJZXXDIHAMJ-ZIAGYGMSSA-N 2 0 335.448 1.212 20 0 EDADRP CN(C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000868237170 596740180 /nfs/dbraw/zinc/74/01/80/596740180.db2.gz RFBGXVBVRHCSQI-IXDOHACOSA-N 2 0 342.443 1.135 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ncnc3c2ncn3C2CC2)C[C@H]1C[NH+](C)C ZINC000866010591 596757000 /nfs/dbraw/zinc/75/70/00/596757000.db2.gz MHCGAFSFYCIDQL-ZIAGYGMSSA-N 2 0 343.479 1.337 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3cccnc3s2)C[C@H]1C[NH+](C)C ZINC000866040594 596770193 /nfs/dbraw/zinc/77/01/93/596770193.db2.gz AZLDKWANEMCINT-CHWSQXEVSA-N 2 0 347.488 1.503 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868310072 596783129 /nfs/dbraw/zinc/78/31/29/596783129.db2.gz QWUMDUZHDUENBJ-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)[C@H]1CCCOC1 ZINC000872057768 596800245 /nfs/dbraw/zinc/80/02/45/596800245.db2.gz ICVPDYUYUWJNRL-BBWFWOEESA-N 2 0 327.513 1.874 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144576 596809158 /nfs/dbraw/zinc/80/91/58/596809158.db2.gz HLOZAWLDJWZPLV-KZNAEPCWSA-N 2 0 338.492 1.790 20 0 EDADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872158422 596816795 /nfs/dbraw/zinc/81/67/95/596816795.db2.gz UZZDUFUSPCIDKR-WMZOPIPTSA-N 3 0 336.524 1.428 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1OCC(N)=O ZINC000872252569 596855013 /nfs/dbraw/zinc/85/50/13/596855013.db2.gz UKQSCCYBGYKZIL-AWEZNQCLSA-N 2 0 335.448 1.427 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCCCC[C@@H]3[NH3+])CC2)CC1 ZINC000872292737 596870733 /nfs/dbraw/zinc/87/07/33/596870733.db2.gz PGFSZCVYDGPNBP-MSOLQXFVSA-N 2 0 336.524 1.380 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)C1 ZINC000874268801 596993411 /nfs/dbraw/zinc/99/34/11/596993411.db2.gz NLEYWBJDZIHHOS-MRXNPFEDSA-N 2 0 344.459 1.418 20 0 EDADRP CC(C)C[C@H]1CC(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000872636417 597002995 /nfs/dbraw/zinc/00/29/95/597002995.db2.gz MZQAMQFIRRDNNO-RCCFBDPRSA-N 2 0 338.540 1.510 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC2OCCO2)CC1 ZINC000124364483 597174588 /nfs/dbraw/zinc/17/45/88/597174588.db2.gz KPRQGZIMWACYSJ-UHFFFAOYSA-N 2 0 341.496 1.165 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000873110156 597199042 /nfs/dbraw/zinc/19/90/42/597199042.db2.gz LEQULDDGAFCRSD-UHFFFAOYSA-N 2 0 334.464 1.664 20 0 EDADRP OCC[N@H+](CCOCC(F)(F)F)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205730 597227128 /nfs/dbraw/zinc/22/71/28/597227128.db2.gz UOKKVEKXSCBTNC-UHFFFAOYSA-N 2 0 338.395 1.767 20 0 EDADRP c1c(C[N@H+](CCN2CCOCC2)CC2CC2)sc2c1C[NH2+]CC2 ZINC000873212629 597229698 /nfs/dbraw/zinc/22/96/98/597229698.db2.gz QKKVMHFFNJPVOK-UHFFFAOYSA-N 2 0 335.517 1.938 20 0 EDADRP COCCC1([NH2+]Cc2ccc(OCC(=O)OC)cc2)CC[NH2+]CC1 ZINC000873225358 597232541 /nfs/dbraw/zinc/23/25/41/597232541.db2.gz WRLCRSBRVTVWLR-UHFFFAOYSA-N 2 0 336.432 1.487 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876541267 597233436 /nfs/dbraw/zinc/23/34/36/597233436.db2.gz WTQWZFMQUFZGCJ-INIZCTEOSA-N 2 0 333.480 1.578 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CCc4ccccc43)C2)C1 ZINC000873226968 597234148 /nfs/dbraw/zinc/23/41/48/597234148.db2.gz FIVJRIONEOWQRQ-JXFKEZNVSA-N 2 0 327.472 1.774 20 0 EDADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCCC2 ZINC000873275405 597245896 /nfs/dbraw/zinc/24/58/96/597245896.db2.gz FIAUDEMHUUOXDX-KBAYOESNSA-N 2 0 331.460 1.913 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000876708974 597297343 /nfs/dbraw/zinc/29/73/43/597297343.db2.gz FVNHPDXYNAFUKR-INIZCTEOSA-N 2 0 333.480 1.530 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876709154 597297447 /nfs/dbraw/zinc/29/74/47/597297447.db2.gz KQZSRKZQTZVVQP-GZBFAFLISA-N 2 0 325.453 1.949 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)C1 ZINC000876718164 597303394 /nfs/dbraw/zinc/30/33/94/597303394.db2.gz MNWCWRWJCHONJT-HOTGVXAUSA-N 2 0 333.480 1.672 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876740513 597316548 /nfs/dbraw/zinc/31/65/48/597316548.db2.gz OLONJJFLSQTBSV-MLGOLLRUSA-N 2 0 336.411 1.463 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC1CC[NH+](C)CC1 ZINC000876742138 597317005 /nfs/dbraw/zinc/31/70/05/597317005.db2.gz VQRFMOUSSZARFS-UHFFFAOYSA-N 2 0 336.505 1.990 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000876743787 597318099 /nfs/dbraw/zinc/31/80/99/597318099.db2.gz IQIUODLEDYESLX-CQSZACIVSA-N 2 0 345.451 1.126 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774534 597334740 /nfs/dbraw/zinc/33/47/40/597334740.db2.gz YSGJAZXJXBAMIP-RTRPANQVSA-N 2 0 335.492 1.646 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876850133 597358913 /nfs/dbraw/zinc/35/89/13/597358913.db2.gz IQMNXHFNIRBDOG-FZMZJTMJSA-N 2 0 347.356 1.695 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000876867014 597362793 /nfs/dbraw/zinc/36/27/93/597362793.db2.gz OLRRGLSDXNKALR-MRXNPFEDSA-N 2 0 325.416 1.972 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876964911 597399604 /nfs/dbraw/zinc/39/96/04/597399604.db2.gz VILJGAKIWHYELH-LEUOFYLZSA-N 2 0 349.450 1.595 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877030953 597417416 /nfs/dbraw/zinc/41/74/16/597417416.db2.gz OCTMSIYOQYBSKY-SZVBFZGTSA-N 2 0 343.471 1.898 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877144491 597442785 /nfs/dbraw/zinc/44/27/85/597442785.db2.gz NZMUVJSWVLUGQC-LMMKCTJWSA-N 3 0 344.503 1.419 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875487666 597448921 /nfs/dbraw/zinc/44/89/21/597448921.db2.gz BJBQFNXPMIFOCC-UHFFFAOYSA-N 2 0 342.528 1.907 20 0 EDADRP CC[C@H](C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1)[NH+](CC)CC ZINC000877207386 597462359 /nfs/dbraw/zinc/46/23/59/597462359.db2.gz UVTCRZSKKYGKMD-QGZVFWFLSA-N 2 0 344.463 1.463 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@H]([NH3+])CC(F)F)(c2ccccc2)CC1 ZINC000877223769 597466432 /nfs/dbraw/zinc/46/64/32/597466432.db2.gz AHXXVMUQBAGGJA-CQSZACIVSA-N 2 0 325.403 1.749 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000875535649 597468566 /nfs/dbraw/zinc/46/85/66/597468566.db2.gz QXDMZPAQPFFVCN-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)CC[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877238979 597474751 /nfs/dbraw/zinc/47/47/51/597474751.db2.gz IQKRTPYFGXUENS-JCGIZDLHSA-N 2 0 331.460 1.728 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000877284013 597486445 /nfs/dbraw/zinc/48/64/45/597486445.db2.gz RNWKYCMKOBBRNZ-MOPGFXCFSA-N 2 0 342.487 1.795 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)ccc21 ZINC000877288118 597487547 /nfs/dbraw/zinc/48/75/47/597487547.db2.gz NPXZVSQODAFBCK-AEFFLSMTSA-N 2 0 326.444 1.957 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877341172 597495919 /nfs/dbraw/zinc/49/59/19/597495919.db2.gz VBJVJOPXSWVWPR-MJGOQNOKSA-N 2 0 339.439 1.396 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@@H]1C(F)(F)F ZINC000877357076 597500068 /nfs/dbraw/zinc/50/00/68/597500068.db2.gz QXYNNYRNZQHZLI-XBFCOCLRSA-N 2 0 327.350 1.469 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)c2)CC1 ZINC000877375340 597504576 /nfs/dbraw/zinc/50/45/76/597504576.db2.gz RILSMEHOSWSMAT-AZUAARDMSA-N 2 0 342.487 1.116 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(OCC(N)=O)cc1)CC2 ZINC000877684925 597547318 /nfs/dbraw/zinc/54/73/18/597547318.db2.gz DAFCKUWWWMBGRE-UHFFFAOYSA-N 2 0 331.460 1.859 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000877727451 597551599 /nfs/dbraw/zinc/55/15/99/597551599.db2.gz VUFBUQNXERMTNX-NVXWUHKLSA-N 2 0 336.432 1.295 20 0 EDADRP Cn1cnc2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)ccc21 ZINC000877746260 597552680 /nfs/dbraw/zinc/55/26/80/597552680.db2.gz KAAGWAPPNCEUFL-UHFFFAOYSA-N 2 0 327.476 1.785 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000878222588 597587999 /nfs/dbraw/zinc/58/79/99/597587999.db2.gz HNQXEWMDBIBVMN-ICSRJNTNSA-N 2 0 345.487 1.785 20 0 EDADRP CCOC(=O)CC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878293468 597593284 /nfs/dbraw/zinc/59/32/84/597593284.db2.gz KBRAFOBAPLMVJI-OAHLLOKOSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595340 597650681 /nfs/dbraw/zinc/65/06/81/597650681.db2.gz YWFUFUUKDJQOKZ-YLJYHZDGSA-N 2 0 331.504 1.863 20 0 EDADRP COC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCCOC1 ZINC000883185591 597680732 /nfs/dbraw/zinc/68/07/32/597680732.db2.gz ANMRJLHFGWLSHE-QZTJIDSGSA-N 2 0 327.513 1.291 20 0 EDADRP COC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCCOC1 ZINC000883188541 597681061 /nfs/dbraw/zinc/68/10/61/597681061.db2.gz LXMDXPGMWNWBOM-BQFCYCMXSA-N 2 0 325.497 1.186 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(Cl)n2)C[C@H]1C[NH+](C)C ZINC000878891274 597747643 /nfs/dbraw/zinc/74/76/43/597747643.db2.gz UIUVWEIDIBLEHU-CHWSQXEVSA-N 2 0 339.871 1.938 20 0 EDADRP CCC1([NH3+])CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000883560479 597803298 /nfs/dbraw/zinc/80/32/98/597803298.db2.gz FAZUXFAIZNWBGH-UHFFFAOYSA-N 2 0 334.468 1.885 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883585791 597814426 /nfs/dbraw/zinc/81/44/26/597814426.db2.gz YCSTXQZXZAEILN-JQHSSLGASA-N 2 0 341.459 1.549 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)NC1CC[NH2+]CC1 ZINC000883586953 597815542 /nfs/dbraw/zinc/81/55/42/597815542.db2.gz WHNMBGFBBUKNKP-GOSISDBHSA-N 2 0 343.475 1.845 20 0 EDADRP COC(=O)[C@@H](NCCCNC(=O)C1CC[NH+](C2CC2)CC1)C(C)C ZINC000880164638 597861862 /nfs/dbraw/zinc/86/18/62/597861862.db2.gz DQNXVPUDGPFZOG-INIZCTEOSA-N 2 0 339.480 1.154 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)C1 ZINC000883728119 597877777 /nfs/dbraw/zinc/87/77/77/597877777.db2.gz JGIUVBFVCHJHEL-HOTGVXAUSA-N 2 0 331.464 1.786 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccns2)C[C@H]1C[NH+](C)C ZINC000883848207 597918719 /nfs/dbraw/zinc/91/87/19/597918719.db2.gz QUOQXRWOIUJIEI-ZIAGYGMSSA-N 2 0 339.509 1.066 20 0 EDADRP CC[N@H+]1[C@H](C)CN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000880611038 597980528 /nfs/dbraw/zinc/98/05/28/597980528.db2.gz HLSZZKXLINUYFF-MVJTYMMSSA-N 2 0 347.507 1.397 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180388 598016826 /nfs/dbraw/zinc/01/68/26/598016826.db2.gz WZSKFMXFMNVNKG-MRXNPFEDSA-N 2 0 349.475 1.371 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000884186043 598018237 /nfs/dbraw/zinc/01/82/37/598018237.db2.gz OPIJNPSBKVPGEF-QAPCUYQASA-N 2 0 333.476 1.899 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CCSC1 ZINC000884192237 598021157 /nfs/dbraw/zinc/02/11/57/598021157.db2.gz ZVXZANNRRVWZHA-MAUKXSAKSA-N 2 0 347.484 1.856 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000884250526 598043383 /nfs/dbraw/zinc/04/33/83/598043383.db2.gz GWFCIOHCCUHCFH-HIFRSBDPSA-N 2 0 338.249 1.661 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280444 598053400 /nfs/dbraw/zinc/05/34/00/598053400.db2.gz LRNUOIXHPOJHHA-VQIMIIECSA-N 2 0 326.444 1.640 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3C[C@@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365401 598082237 /nfs/dbraw/zinc/08/22/37/598082237.db2.gz INXIVAHXQLXKKX-CABCVRRESA-N 2 0 345.447 1.159 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884365504 598082477 /nfs/dbraw/zinc/08/24/77/598082477.db2.gz KGEBGCHKKSPXSG-IJLUTSLNSA-N 2 0 326.238 1.691 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000884420369 598100310 /nfs/dbraw/zinc/10/03/10/598100310.db2.gz QVRMIWZVJQALEN-INIZCTEOSA-N 2 0 349.475 1.468 20 0 EDADRP CC(C)c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000130553622 598113418 /nfs/dbraw/zinc/11/34/18/598113418.db2.gz KOGZHTWYIXMHCA-UHFFFAOYSA-N 2 0 348.491 1.700 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000914150896 695162378 /nfs/dbraw/zinc/16/23/78/695162378.db2.gz ZKRIEKANMJSKCR-UAGQMJEPSA-N 2 0 336.480 1.166 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243823 695303448 /nfs/dbraw/zinc/30/34/48/695303448.db2.gz UTABGROSJMLNEJ-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncccn3)[C@@H]2C1 ZINC000992904972 695440715 /nfs/dbraw/zinc/44/07/15/695440715.db2.gz IHUHYZCEGOUURC-BBWFWOEESA-N 2 0 343.475 1.289 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)o1 ZINC000992912506 695448527 /nfs/dbraw/zinc/44/85/27/695448527.db2.gz CKQDDTYZNUVKGF-CGTJXYLNSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(NC1C[NH+](C[C@H]2CCCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031233677 695925066 /nfs/dbraw/zinc/92/50/66/695925066.db2.gz NCTNKRGSYQIWIM-MRXNPFEDSA-N 2 0 335.492 1.335 20 0 EDADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993366800 696015098 /nfs/dbraw/zinc/01/50/98/696015098.db2.gz PAUSMLNJOGXCBU-JKSUJKDBSA-N 2 0 335.496 1.828 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCCN1Cc1nccs1 ZINC000993758808 696351742 /nfs/dbraw/zinc/35/17/42/696351742.db2.gz JEVWVVHOGDBBFI-ZFWWWQNUSA-N 2 0 336.505 1.954 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801905 696378444 /nfs/dbraw/zinc/37/84/44/696378444.db2.gz DDZBAXBAZFSPKR-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000916360504 696655299 /nfs/dbraw/zinc/65/52/99/696655299.db2.gz HWVHMIYKRBZQGJ-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CC(C)(C)CO2)CC1 ZINC000940008287 700109938 /nfs/dbraw/zinc/10/99/38/700109938.db2.gz HPNSMXSVTYHHIR-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000940008309 700109957 /nfs/dbraw/zinc/10/99/57/700109957.db2.gz IKAKKNJAPOLPSJ-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCC[N@@H+]1CCCO ZINC000994482945 696923394 /nfs/dbraw/zinc/92/33/94/696923394.db2.gz FUSDULCCQNPWCZ-YJBOKZPZSA-N 2 0 333.476 1.713 20 0 EDADRP Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)[C@@H]2C)c1 ZINC000994511157 696955721 /nfs/dbraw/zinc/95/57/21/696955721.db2.gz VOJYWWKGTYFOBX-RDJZCZTQSA-N 2 0 327.432 1.756 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000917897846 697099633 /nfs/dbraw/zinc/09/96/33/697099633.db2.gz DNJORLPJZFIJNQ-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)CCO1 ZINC001031437760 697107524 /nfs/dbraw/zinc/10/75/24/697107524.db2.gz LEEWWTHRHIXOBT-HOTGVXAUSA-N 2 0 345.487 1.977 20 0 EDADRP COC(=O)[C@@H]1CCCC[C@@H]1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000930112709 697385509 /nfs/dbraw/zinc/38/55/09/697385509.db2.gz GQUNPFVOUJZDMA-SJLPKXTDSA-N 2 0 339.524 1.924 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001031681877 697506052 /nfs/dbraw/zinc/50/60/52/697506052.db2.gz NLCRUHCAPAFYNW-ATZDWAIDSA-N 2 0 345.487 1.762 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688880 697527409 /nfs/dbraw/zinc/52/74/09/697527409.db2.gz MYQFIUBRWUAWGA-QZTJIDSGSA-N 2 0 329.444 1.098 20 0 EDADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000921406544 697594818 /nfs/dbraw/zinc/59/48/18/697594818.db2.gz KOWGEZWKMGSTRW-BHYGNILZSA-N 2 0 333.480 1.714 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(OC)ccn2)C1 ZINC001031711658 697719626 /nfs/dbraw/zinc/71/96/26/697719626.db2.gz JRHVYTHWMJVTLS-GOSISDBHSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC000940108350 700220762 /nfs/dbraw/zinc/22/07/62/700220762.db2.gz CORUDWRBGRKLPU-HNNXBMFYSA-N 2 0 348.495 1.457 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943513853 698427153 /nfs/dbraw/zinc/42/71/53/698427153.db2.gz ARRZVPYOAUTOGL-NVXWUHKLSA-N 2 0 335.496 1.541 20 0 EDADRP C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943515484 698429581 /nfs/dbraw/zinc/42/95/81/698429581.db2.gz HIFUZRABAQNYNG-YOEHRIQHSA-N 2 0 333.480 1.295 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940111703 700226087 /nfs/dbraw/zinc/22/60/87/700226087.db2.gz NKDVHFKMWXDJMT-RDJZCZTQSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000940115831 700231255 /nfs/dbraw/zinc/23/12/55/700231255.db2.gz YZDLOWDLJMVFEZ-KRWDZBQOSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCc1ccns1 ZINC000939063183 699106306 /nfs/dbraw/zinc/10/63/06/699106306.db2.gz BNDQHSCLJADNIZ-CZUORRHYSA-N 2 0 336.505 1.464 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939054620 699114749 /nfs/dbraw/zinc/11/47/49/699114749.db2.gz MHTVBSPPVZNKPH-SWLSCSKDSA-N 2 0 336.505 1.730 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1 ZINC000939064218 699131491 /nfs/dbraw/zinc/13/14/91/699131491.db2.gz STEYEYFKRGLUON-DNVCBOLYSA-N 2 0 345.487 1.974 20 0 EDADRP Cc1cnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939128727 699207443 /nfs/dbraw/zinc/20/74/43/699207443.db2.gz OURKDTIUSPQKIP-DZGCQCFKSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nc2c([nH]1)C[C@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)CC2 ZINC001031788965 699240331 /nfs/dbraw/zinc/24/03/31/699240331.db2.gz LGQBWPQJVNCEPB-CVEARBPZSA-N 2 0 346.475 1.440 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939256682 699433614 /nfs/dbraw/zinc/43/36/14/699433614.db2.gz DOEMUUAAGWTNOC-YOEHRIQHSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939256864 699433928 /nfs/dbraw/zinc/43/39/28/699433928.db2.gz FTSNBPDRQNAVPX-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001031812418 699497355 /nfs/dbraw/zinc/49/73/55/699497355.db2.gz BOEOELWBLTWTCN-KRWDZBQOSA-N 2 0 335.492 1.478 20 0 EDADRP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001031813533 699502327 /nfs/dbraw/zinc/50/23/27/699502327.db2.gz XSIWEAPIXPQETD-INIZCTEOSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995164525 701603473 /nfs/dbraw/zinc/60/34/73/701603473.db2.gz AKOACTMGBKVGFZ-JKSUJKDBSA-N 2 0 346.475 1.762 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939544301 699685524 /nfs/dbraw/zinc/68/55/24/699685524.db2.gz JFVZGIGHCPMIRQ-CJNGLKHVSA-N 2 0 332.423 1.253 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c(C)n1 ZINC000939544335 699685787 /nfs/dbraw/zinc/68/57/87/699685787.db2.gz JOGIUIBHDDZGIB-KBXCAEBGSA-N 2 0 342.487 1.731 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC2(C1)CC[NH+](CC[C@@H]1CCOC1)CC2 ZINC001040940084 701606920 /nfs/dbraw/zinc/60/69/20/701606920.db2.gz ZWHSGMOJYKGBMT-GOSISDBHSA-N 2 0 349.519 1.823 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2ccon2)C1)C12CCC[NH+](CCC1)C2 ZINC000994990928 699826696 /nfs/dbraw/zinc/82/66/96/699826696.db2.gz RDRDYYIUTFIPDH-JKSUJKDBSA-N 2 0 346.475 1.925 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165411 701610760 /nfs/dbraw/zinc/61/07/60/701610760.db2.gz DQJIIKFDAJITGH-HOTGVXAUSA-N 2 0 345.491 1.373 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)sn1 ZINC000939753540 699903229 /nfs/dbraw/zinc/90/32/29/699903229.db2.gz GONUKFLYULHZPP-OCCSQVGLSA-N 2 0 338.477 1.184 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939757630 699924840 /nfs/dbraw/zinc/92/48/40/699924840.db2.gz ZFTDMGPNURJXMY-KDOFPFPSSA-N 2 0 349.450 1.350 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939810575 699958889 /nfs/dbraw/zinc/95/88/89/699958889.db2.gz NZAMXBXBGDXCPC-FUHWJXTLSA-N 2 0 347.507 1.275 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000940148628 700281353 /nfs/dbraw/zinc/28/13/53/700281353.db2.gz BMMJZCJZDWCYHJ-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940149667 700282700 /nfs/dbraw/zinc/28/27/00/700282700.db2.gz NSLZWCNZSPHXFR-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000940179510 700313340 /nfs/dbraw/zinc/31/33/40/700313340.db2.gz WKKOHYCEPLZIJC-AWEZNQCLSA-N 2 0 335.452 1.333 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166672 701628980 /nfs/dbraw/zinc/62/89/80/701628980.db2.gz GSMNMDOPWWZBTE-LSDHHAIUSA-N 2 0 348.516 1.922 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC000995166687 701629619 /nfs/dbraw/zinc/62/96/19/701629619.db2.gz HBAKTRJIKWUPBK-HUUCEWRRSA-N 2 0 348.516 1.922 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC000940296819 700469040 /nfs/dbraw/zinc/46/90/40/700469040.db2.gz YNFCZZYZAMJMET-PXNSSMCTSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1 ZINC000940327812 700505062 /nfs/dbraw/zinc/50/50/62/700505062.db2.gz VHYGIEYFRQDGPA-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)C1 ZINC000940328907 700507427 /nfs/dbraw/zinc/50/74/27/700507427.db2.gz NAPOMUIXSMYQIE-UHFFFAOYSA-N 2 0 334.464 1.877 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426734 700620738 /nfs/dbraw/zinc/62/07/38/700620738.db2.gz ZPYQXCVAEMRXGY-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP CC1([NH2+]Cc2nccs2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427205 700621145 /nfs/dbraw/zinc/62/11/45/700621145.db2.gz CKYMXFLILYWUAI-UHFFFAOYSA-N 2 0 334.489 1.710 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428219 700622554 /nfs/dbraw/zinc/62/25/54/700622554.db2.gz ZDIDCGDWTHFWIW-UHFFFAOYSA-N 2 0 346.475 1.804 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cncc(F)c3)C2)CC1 ZINC000995076664 700651539 /nfs/dbraw/zinc/65/15/39/700651539.db2.gz DYLQGKALVGWASN-KSSFIOAISA-N 2 0 348.466 1.937 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000940472682 700658122 /nfs/dbraw/zinc/65/81/22/700658122.db2.gz PQJIBJGEQWUBNI-OAHLLOKOSA-N 2 0 348.495 1.458 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940472782 700658201 /nfs/dbraw/zinc/65/82/01/700658201.db2.gz XQNSBZUEEGPGSO-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168579 701664329 /nfs/dbraw/zinc/66/43/29/701664329.db2.gz OXCYMXAXXOLZIL-RDJZCZTQSA-N 2 0 345.491 1.199 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000995168587 701664386 /nfs/dbraw/zinc/66/43/86/701664386.db2.gz OYFWMSLKFNJOJU-IRXDYDNUSA-N 2 0 335.492 1.383 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940620741 700781848 /nfs/dbraw/zinc/78/18/48/700781848.db2.gz JOLMTRRWTKONIP-HZPDHXFCSA-N 2 0 333.480 1.231 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C)[NH+]1CCCCC1 ZINC000940748067 700873946 /nfs/dbraw/zinc/87/39/46/700873946.db2.gz UTDCEPLDHWILPK-OAHLLOKOSA-N 2 0 325.497 1.460 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902237 700977067 /nfs/dbraw/zinc/97/70/67/700977067.db2.gz ZTHYAABHKOKQLR-BWRBCVJASA-N 2 0 335.492 1.475 20 0 EDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995118171 701086036 /nfs/dbraw/zinc/08/60/36/701086036.db2.gz FMZMCHSTROPAIA-DLBZAZTESA-N 2 0 347.507 1.527 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076286 701103970 /nfs/dbraw/zinc/10/39/70/701103970.db2.gz VPUZEMVBQWVZCU-DLBZAZTESA-N 2 0 339.524 1.848 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999167551 706594623 /nfs/dbraw/zinc/59/46/23/706594623.db2.gz ASVFCIKUBREZKJ-MSOLQXFVSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)on1 ZINC000941167300 701378437 /nfs/dbraw/zinc/37/84/37/701378437.db2.gz SQDGYCSIAZMHFY-INIZCTEOSA-N 2 0 346.475 1.796 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)ncn1 ZINC000941221647 701412597 /nfs/dbraw/zinc/41/25/97/701412597.db2.gz ZNLUHQQQNXBUDE-QGZVFWFLSA-N 2 0 345.491 1.598 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436801 701540141 /nfs/dbraw/zinc/54/01/41/701540141.db2.gz GZILHYLPBYJSDA-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031975940 701932312 /nfs/dbraw/zinc/93/23/12/701932312.db2.gz CBPDWNBEPBIHMF-VQIMIIECSA-N 2 0 329.488 1.865 20 0 EDADRP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031976976 702005649 /nfs/dbraw/zinc/00/56/49/702005649.db2.gz UQXCYGQDRZLMNC-SWLSCSKDSA-N 2 0 336.505 1.240 20 0 EDADRP CCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031977211 702014405 /nfs/dbraw/zinc/01/44/05/702014405.db2.gz AWKIEIOQKGAYMO-DNVCBOLYSA-N 2 0 329.488 1.995 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191296 706634055 /nfs/dbraw/zinc/63/40/55/706634055.db2.gz XEROIDKULGHWLU-BPQIPLTHSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899634 702205382 /nfs/dbraw/zinc/20/53/82/702205382.db2.gz XAERYAWAJYPXRV-HOTGVXAUSA-N 2 0 334.464 1.650 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1[NH2+]CCF ZINC000995891183 702233506 /nfs/dbraw/zinc/23/35/06/702233506.db2.gz CPNFTUQTHLVDMX-HOTGVXAUSA-N 2 0 341.471 1.426 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920212 702241350 /nfs/dbraw/zinc/24/13/50/702241350.db2.gz TZIJQLWQENEBBD-INIZCTEOSA-N 2 0 348.495 1.109 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)[NH+](C)C ZINC000995928380 702258105 /nfs/dbraw/zinc/25/81/05/702258105.db2.gz TXYAHFMQWCJZDJ-HOTGVXAUSA-N 2 0 335.496 1.296 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995912502 702270931 /nfs/dbraw/zinc/27/09/31/702270931.db2.gz FMEVQZPIZXXRLG-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186574 702275583 /nfs/dbraw/zinc/27/55/83/702275583.db2.gz SAFZJCJMWYBQQR-LJQANCHMSA-N 2 0 329.488 1.927 20 0 EDADRP CCc1ccc([C@@H](O)C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032185661 702303414 /nfs/dbraw/zinc/30/34/14/702303414.db2.gz AVSCXIKZYWMPRP-MOPGFXCFSA-N 2 0 345.487 1.282 20 0 EDADRP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)ccc1C ZINC001032186132 702316837 /nfs/dbraw/zinc/31/68/37/702316837.db2.gz JAQFPTUDFCNSEK-QGZVFWFLSA-N 2 0 331.460 1.503 20 0 EDADRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995207983 702667323 /nfs/dbraw/zinc/66/73/23/702667323.db2.gz FMNKTTFPDLECAC-HOTGVXAUSA-N 2 0 346.475 1.561 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996293110 702685281 /nfs/dbraw/zinc/68/52/81/702685281.db2.gz BIDQPCJVUBZTTF-BBRMVZONSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996293191 702685750 /nfs/dbraw/zinc/68/57/50/702685750.db2.gz BPLGOSHQZUILSK-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300957 702692764 /nfs/dbraw/zinc/69/27/64/702692764.db2.gz POHULGRCWUKCAI-GUYCJALGSA-N 2 0 348.491 1.960 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2(C)C)n1 ZINC000996301440 702692981 /nfs/dbraw/zinc/69/29/81/702692981.db2.gz SPQHPVQTMCKRRR-RDJZCZTQSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302607 702694585 /nfs/dbraw/zinc/69/45/85/702694585.db2.gz XWQSVXVFUSTJJE-DOTOQJQBSA-N 2 0 337.508 1.581 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311182 702700473 /nfs/dbraw/zinc/70/04/73/702700473.db2.gz QHSYZGPVSPOIGL-JKSUJKDBSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cc(C)ncn2)C(C)(C)C1)[NH+](C)C ZINC000996312865 702701274 /nfs/dbraw/zinc/70/12/74/702701274.db2.gz BHXUJMMVSUWAQR-HOTGVXAUSA-N 2 0 333.480 1.452 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000996313552 702701782 /nfs/dbraw/zinc/70/17/82/702701782.db2.gz DVKGALYZFZDRMH-JKSUJKDBSA-N 2 0 335.496 1.129 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996387584 702750771 /nfs/dbraw/zinc/75/07/71/702750771.db2.gz XQTLUBPXQNMLQO-MRXNPFEDSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675684 706695031 /nfs/dbraw/zinc/69/50/31/706695031.db2.gz HSGXNWWYJRGXJY-KBMXLJTQSA-N 2 0 337.443 1.092 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996503208 702825148 /nfs/dbraw/zinc/82/51/48/702825148.db2.gz YMPZABBJZUFQCW-WMZOPIPTSA-N 2 0 345.491 1.338 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2cncn2C)CC1(C)C ZINC000996512145 702831403 /nfs/dbraw/zinc/83/14/03/702831403.db2.gz BIPCYURGERBNNC-HNNXBMFYSA-N 2 0 331.420 1.286 20 0 EDADRP CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1[NH2+]CCF ZINC000996501722 702840584 /nfs/dbraw/zinc/84/05/84/702840584.db2.gz MERPUQYZUGWYEB-INIZCTEOSA-N 2 0 325.472 1.905 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)[nH]1 ZINC000996534222 702848501 /nfs/dbraw/zinc/84/85/01/702848501.db2.gz ONXZNWJSEKMMNN-UHFFFAOYSA-N 2 0 348.495 1.458 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519685 702855623 /nfs/dbraw/zinc/85/56/23/702855623.db2.gz QFZZUHOQUGXBBN-CVEARBPZSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560964 702874852 /nfs/dbraw/zinc/87/48/52/702874852.db2.gz MAKSPTVVGBXWSK-IBGZPJMESA-N 2 0 342.487 1.812 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561553 702875529 /nfs/dbraw/zinc/87/55/29/702875529.db2.gz QFABWDAQUSNXQS-WBMJQRKESA-N 2 0 347.463 1.361 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996562215 702876183 /nfs/dbraw/zinc/87/61/83/702876183.db2.gz WTCRYOLHYFAMHP-IBGZPJMESA-N 2 0 349.519 1.726 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ncnn3CC)CC2)CC[N@@H+]1C ZINC000996603530 702913037 /nfs/dbraw/zinc/91/30/37/702913037.db2.gz OMJONJKFKLFLAT-JKSUJKDBSA-N 2 0 348.495 1.109 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996662149 702959642 /nfs/dbraw/zinc/95/96/42/702959642.db2.gz PINMGCMARQHOCF-SFHVURJKSA-N 2 0 347.507 1.684 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)C1CC1 ZINC000996674307 702969405 /nfs/dbraw/zinc/96/94/05/702969405.db2.gz BNFFDTWFFZGQSJ-INIZCTEOSA-N 2 0 346.479 1.103 20 0 EDADRP Cc1noc([C@H](C)NC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996676313 702975308 /nfs/dbraw/zinc/97/53/08/702975308.db2.gz HAALKMYUZKQCIN-NHYWBVRUSA-N 2 0 335.452 1.360 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996676367 702975612 /nfs/dbraw/zinc/97/56/12/702975612.db2.gz HGTLBRHIMPMXPV-KBXCAEBGSA-N 2 0 345.491 1.767 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996678427 702977103 /nfs/dbraw/zinc/97/71/03/702977103.db2.gz NIQYJQSGQUDETM-QGZVFWFLSA-N 2 0 348.495 1.027 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996679873 702978523 /nfs/dbraw/zinc/97/85/23/702978523.db2.gz QZBXNFHFTIQTRL-QGZVFWFLSA-N 2 0 346.475 1.511 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996681304 702979759 /nfs/dbraw/zinc/97/97/59/702979759.db2.gz YZPCJZMFSLLVSN-QGZVFWFLSA-N 2 0 347.507 1.764 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nc(C3CC3)nn2C)CC1)[NH+](C)C ZINC000996710996 703005440 /nfs/dbraw/zinc/00/54/40/703005440.db2.gz HXMNAWYDUSVYFK-OAHLLOKOSA-N 2 0 348.495 1.113 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000996755373 703044150 /nfs/dbraw/zinc/04/41/50/703044150.db2.gz CGLWHEZZEZYULR-MRXNPFEDSA-N 2 0 348.495 1.016 20 0 EDADRP CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000996789979 703082324 /nfs/dbraw/zinc/08/23/24/703082324.db2.gz TXMHOBBGKGPXND-WWDZGPRUSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598395 703113191 /nfs/dbraw/zinc/11/31/91/703113191.db2.gz WYBYWZUVICXZTA-SCLBCKFNSA-N 2 0 348.491 1.960 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996839494 703126663 /nfs/dbraw/zinc/12/66/63/703126663.db2.gz ATZOQCKXVKTGBU-CRAIPNDOSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(CCn1ccnc1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996843582 703130183 /nfs/dbraw/zinc/13/01/83/703130183.db2.gz FXQDCUNPGQJDTG-UONOGXRCSA-N 2 0 344.381 1.910 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942719459 703234014 /nfs/dbraw/zinc/23/40/14/703234014.db2.gz FWTVUGHHEBFFMZ-QFBILLFUSA-N 2 0 347.503 1.877 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996999074 703255915 /nfs/dbraw/zinc/25/59/15/703255915.db2.gz LTYZAMLFPFLELB-CQSZACIVSA-N 2 0 331.464 1.350 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000996996867 703260282 /nfs/dbraw/zinc/26/02/82/703260282.db2.gz AGSAKRFILKEKQI-CQSZACIVSA-N 2 0 334.439 1.643 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997007229 703264454 /nfs/dbraw/zinc/26/44/54/703264454.db2.gz PEZVJDJUXIQVTR-CYBMUJFWSA-N 2 0 346.479 1.105 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000997007097 703264591 /nfs/dbraw/zinc/26/45/91/703264591.db2.gz OKLJJTWSJXXLPB-AWEZNQCLSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008506 703266605 /nfs/dbraw/zinc/26/66/05/703266605.db2.gz MXOZRZGREDDAJR-KDOFPFPSSA-N 2 0 345.491 1.108 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1)C(N)=O ZINC000997064101 703308942 /nfs/dbraw/zinc/30/89/42/703308942.db2.gz SYOGDXQNVWHFSU-GDBMZVCRSA-N 2 0 338.496 1.095 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC1 ZINC000997114437 703366918 /nfs/dbraw/zinc/36/69/18/703366918.db2.gz BYVMMLNJLIEWJR-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC000997182012 703466834 /nfs/dbraw/zinc/46/68/34/703466834.db2.gz FQKNJDSGOOANKG-STQMWFEESA-N 2 0 337.493 1.522 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)no1 ZINC000997184455 703473067 /nfs/dbraw/zinc/47/30/67/703473067.db2.gz ALELVTZTZDENTH-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997185140 703473942 /nfs/dbraw/zinc/47/39/42/703473942.db2.gz QMKRCYZZQDRJHS-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997185123 703473986 /nfs/dbraw/zinc/47/39/86/703473986.db2.gz QAKZQWIQXSSPFS-OAHLLOKOSA-N 2 0 331.464 1.207 20 0 EDADRP Cn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997186888 703476407 /nfs/dbraw/zinc/47/64/07/703476407.db2.gz UPOWGOJEMLGKCP-HOCLYGCPSA-N 2 0 348.495 1.016 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997188903 703478983 /nfs/dbraw/zinc/47/89/83/703478983.db2.gz VIHHFPRFOUKANG-UHFFFAOYSA-N 2 0 340.431 1.332 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1 ZINC000997195315 703492732 /nfs/dbraw/zinc/49/27/32/703492732.db2.gz VKETUWPULWFOOH-UHFFFAOYSA-N 2 0 346.479 1.035 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997229222 703504887 /nfs/dbraw/zinc/50/48/87/703504887.db2.gz VAPPKROVWUIGJJ-JWPJJUSYSA-N 2 0 347.503 1.476 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ccc(Cl)nc2)CC1 ZINC000997306229 703565125 /nfs/dbraw/zinc/56/51/25/703565125.db2.gz APTHCKCMJGFQJM-UHFFFAOYSA-N 2 0 336.867 1.911 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000997366347 703600264 /nfs/dbraw/zinc/60/02/64/703600264.db2.gz DBTPZGIAHXHGLV-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997366630 703600439 /nfs/dbraw/zinc/60/04/39/703600439.db2.gz IBNGLBSVLADHLV-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1ncccn1 ZINC000997367626 703601824 /nfs/dbraw/zinc/60/18/24/703601824.db2.gz LFWVRQDTXJBKLH-MRXNPFEDSA-N 2 0 345.491 1.994 20 0 EDADRP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032443769 703620598 /nfs/dbraw/zinc/62/05/98/703620598.db2.gz CBSCHWNRFZKVIP-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000997516611 703765664 /nfs/dbraw/zinc/76/56/64/703765664.db2.gz SLEOHOULTBTCQK-XJKSGUPXSA-N 2 0 336.505 1.954 20 0 EDADRP C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999274318 706766449 /nfs/dbraw/zinc/76/64/49/706766449.db2.gz NQSFACQNTYEQDL-GXTWGEPZSA-N 2 0 325.478 1.385 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2nccn2C)CC1 ZINC000997596768 703890393 /nfs/dbraw/zinc/89/03/93/703890393.db2.gz OCIRYXXYCBBEBH-ZMSDIMECSA-N 2 0 347.507 1.477 20 0 EDADRP CCCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997607731 703904631 /nfs/dbraw/zinc/90/46/31/703904631.db2.gz QBQZSHWQJVLHHT-INIZCTEOSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000997615778 703914749 /nfs/dbraw/zinc/91/47/49/703914749.db2.gz WWEALIKUZQMLSI-HNNXBMFYSA-N 2 0 336.505 1.874 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922547143 703953606 /nfs/dbraw/zinc/95/36/06/703953606.db2.gz OVLXGSJBROVWMB-XHSDSOJGSA-N 2 0 342.553 1.986 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1 ZINC001032520627 703961505 /nfs/dbraw/zinc/96/15/05/703961505.db2.gz ADBXLLJUBKJGEC-JLSDUUJJSA-N 2 0 340.427 1.660 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000995554325 703968896 /nfs/dbraw/zinc/96/88/96/703968896.db2.gz WBILNSNZLJIBBL-SJORKVTESA-N 2 0 346.475 1.973 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033082205 704138587 /nfs/dbraw/zinc/13/85/87/704138587.db2.gz PBJWNBGKPTXKJM-HOTGVXAUSA-N 2 0 348.516 1.826 20 0 EDADRP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1)OC ZINC001032711199 706804725 /nfs/dbraw/zinc/80/47/25/706804725.db2.gz LOWHQVMLAIZXMR-BZSNNMDCSA-N 2 0 337.508 1.817 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999301790 706804930 /nfs/dbraw/zinc/80/49/30/706804930.db2.gz CHFGPVRYQOFGMU-RDJZCZTQSA-N 2 0 333.480 1.375 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000922810250 704377641 /nfs/dbraw/zinc/37/76/41/704377641.db2.gz OPGWLBUPRTVBKU-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCOCC1 ZINC000947933400 704554157 /nfs/dbraw/zinc/55/41/57/704554157.db2.gz AAOJJZUHXHONKU-AEFFLSMTSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1)C1CC1 ZINC000997824091 704743456 /nfs/dbraw/zinc/74/34/56/704743456.db2.gz QCXCUQJBYRCMBZ-INIZCTEOSA-N 2 0 336.505 1.812 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)C1CC1 ZINC000997831063 704751368 /nfs/dbraw/zinc/75/13/68/704751368.db2.gz POCXZNJQVITDAM-OAHLLOKOSA-N 2 0 337.493 1.207 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CCC1 ZINC000997831018 704751506 /nfs/dbraw/zinc/75/15/06/704751506.db2.gz OPVOZKLVAVJDRW-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997859271 704768265 /nfs/dbraw/zinc/76/82/65/704768265.db2.gz KNZRDTJDIFMVPE-IRXDYDNUSA-N 2 0 347.463 1.415 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997860457 704769323 /nfs/dbraw/zinc/76/93/23/704769323.db2.gz HNWLYZFFJSNSNL-YOEHRIQHSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997863677 704771099 /nfs/dbraw/zinc/77/10/99/704771099.db2.gz DDEUCNGJIIXLHI-MRXNPFEDSA-N 2 0 335.452 1.191 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997861437 704771871 /nfs/dbraw/zinc/77/18/71/704771871.db2.gz RZMLQVJJCUHSGW-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@@H]1C ZINC000944966021 704837910 /nfs/dbraw/zinc/83/79/10/704837910.db2.gz WVXQLCBOTWQCFH-YOEHRIQHSA-N 2 0 327.432 1.613 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000997951669 705070116 /nfs/dbraw/zinc/07/01/16/705070116.db2.gz YTINSDZNNNUOBI-SJORKVTESA-N 2 0 348.495 1.112 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000997951135 705077639 /nfs/dbraw/zinc/07/76/39/705077639.db2.gz VOBRTZRTZSYJDB-SJLPKXTDSA-N 2 0 347.507 1.717 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)[NH+](C)C ZINC000998040976 705230150 /nfs/dbraw/zinc/23/01/50/705230150.db2.gz WTRVLNHYLKCFCW-QGZVFWFLSA-N 2 0 333.480 1.391 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1ncccn1 ZINC000998081201 705301065 /nfs/dbraw/zinc/30/10/65/705301065.db2.gz GSQDBDXXZKDCHF-CVEARBPZSA-N 2 0 345.491 1.850 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998080213 705305311 /nfs/dbraw/zinc/30/53/11/705305311.db2.gz YQBRDFZUBXQTDZ-WFASDCNBSA-N 2 0 337.493 1.064 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998083023 705310699 /nfs/dbraw/zinc/31/06/99/705310699.db2.gz SVQMVYJOZQADFF-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998083905 705313768 /nfs/dbraw/zinc/31/37/68/705313768.db2.gz YKDDRYWYBMVOLA-HNNXBMFYSA-N 2 0 347.507 1.399 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000998084530 705315093 /nfs/dbraw/zinc/31/50/93/705315093.db2.gz AIXUVMWQBSJXBW-ZFWWWQNUSA-N 2 0 336.484 1.045 20 0 EDADRP CCN(C(=O)[C@H]1CCCc2nc[nH]c21)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998115367 705360355 /nfs/dbraw/zinc/36/03/55/705360355.db2.gz IIBPVWLNYNDWLW-GJZGRUSLSA-N 2 0 334.464 1.525 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998216758 705538506 /nfs/dbraw/zinc/53/85/06/705538506.db2.gz KMJVZEYLGHSLNZ-XJKSGUPXSA-N 2 0 349.479 1.609 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267266 705641747 /nfs/dbraw/zinc/64/17/47/705641747.db2.gz VMEWSCCHXCIANZ-ZBFHGGJFSA-N 2 0 334.464 1.824 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000998268396 705643790 /nfs/dbraw/zinc/64/37/90/705643790.db2.gz FQXJXGOPLMVVAC-UHFFFAOYSA-N 2 0 346.475 1.514 20 0 EDADRP Cn1ncnc1C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000998286194 705681803 /nfs/dbraw/zinc/68/18/03/705681803.db2.gz IDJFHMDZQPDBDR-UHFFFAOYSA-N 2 0 348.495 1.019 20 0 EDADRP CC(C)[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1C(F)(F)F ZINC000998301981 705712274 /nfs/dbraw/zinc/71/22/74/705712274.db2.gz IARLLUIUEOKWSV-CHWSQXEVSA-N 2 0 333.398 1.860 20 0 EDADRP CCOc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998548927 705984646 /nfs/dbraw/zinc/98/46/46/705984646.db2.gz IQAZQRWMKJRWOD-OFLPRAFFSA-N 2 0 346.475 1.654 20 0 EDADRP Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CN(C)CCO2)C1 ZINC000998582780 706019081 /nfs/dbraw/zinc/01/90/81/706019081.db2.gz KPPJPMGGJKNACT-DAWZGUTISA-N 2 0 331.460 1.405 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722085 706153815 /nfs/dbraw/zinc/15/38/15/706153815.db2.gz ODRONNFDSYLMEO-HUUCEWRRSA-N 2 0 336.867 1.910 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998724542 706156317 /nfs/dbraw/zinc/15/63/17/706156317.db2.gz UNKTWHXDBSBZCR-HZPDHXFCSA-N 2 0 332.448 1.265 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733854 706167448 /nfs/dbraw/zinc/16/74/48/706167448.db2.gz UQONELQCTRAWOA-IRXDYDNUSA-N 2 0 347.507 1.813 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000998779413 706220648 /nfs/dbraw/zinc/22/06/48/706220648.db2.gz CWBUJOIORUWHIR-UYSNPLJNSA-N 2 0 348.516 1.872 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)CC[N@@H+]1C ZINC000998791048 706237989 /nfs/dbraw/zinc/23/79/89/706237989.db2.gz GVMTXQJTFLXFIM-GALLPEHLSA-N 2 0 329.435 1.951 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccnc3C)C2)CC[N@@H+]1C ZINC000998792813 706239529 /nfs/dbraw/zinc/23/95/29/706239529.db2.gz BUFXXPHVRZRLGP-UNGSAITNSA-N 2 0 345.491 1.594 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)CC[N@@H+]1C ZINC000998795578 706242712 /nfs/dbraw/zinc/24/27/12/706242712.db2.gz ZXFJSPXGEUTHDJ-SSHXOBKSSA-N 2 0 333.480 1.229 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC(NCc2cnon2)C1 ZINC000998902803 706339730 /nfs/dbraw/zinc/33/97/30/706339730.db2.gz YLIRSOQBXKORLN-QWFMPGPPSA-N 2 0 347.463 1.556 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000998994852 706412147 /nfs/dbraw/zinc/41/21/47/706412147.db2.gz LMVRZRSFSDJJMU-NRXISQOPSA-N 2 0 346.479 1.245 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998995733 706413326 /nfs/dbraw/zinc/41/33/26/706413326.db2.gz UFUFAQRBPCCDQY-DQPZFDDXSA-N 2 0 334.464 1.800 20 0 EDADRP Cc1cc(CNC2CC(N(C)C(=O)c3cc(CN(C)C)on3)C2)no1 ZINC000999026173 706463325 /nfs/dbraw/zinc/46/33/25/706463325.db2.gz FKCGFFZWEPGEGF-UHFFFAOYSA-N 2 0 347.419 1.425 20 0 EDADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC([NH2+]CC2CC2)C1 ZINC000999103362 706531563 /nfs/dbraw/zinc/53/15/63/706531563.db2.gz QREUJZUHEGFYEV-UHFFFAOYSA-N 2 0 325.416 1.870 20 0 EDADRP Cc1nonc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518153 706575008 /nfs/dbraw/zinc/57/50/08/706575008.db2.gz OTWHORLMBQTIFU-HLLBOEOZSA-N 2 0 347.463 1.143 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999152790 706582040 /nfs/dbraw/zinc/58/20/40/706582040.db2.gz LZTVHQTWRFWMQO-INIZCTEOSA-N 2 0 347.507 1.765 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999349839 706862265 /nfs/dbraw/zinc/86/22/65/706862265.db2.gz VKRONHHYTITRNW-FUHWJXTLSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999374828 706869223 /nfs/dbraw/zinc/86/92/23/706869223.db2.gz SCBSYZQKSWEZNM-QZTJIDSGSA-N 2 0 330.476 1.811 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999375952 706870046 /nfs/dbraw/zinc/87/00/46/706870046.db2.gz UABRAYYODGZVHF-RDJZCZTQSA-N 2 0 348.495 1.027 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)C1CCC1 ZINC000999379467 706873424 /nfs/dbraw/zinc/87/34/24/706873424.db2.gz RPPRPBILSXABLV-IEBWSBKVSA-N 2 0 345.487 1.785 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)nn1C ZINC000999398037 706892346 /nfs/dbraw/zinc/89/23/46/706892346.db2.gz BBDUTQRSTVDNJP-FUHWJXTLSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)ncn1 ZINC000999407120 706916733 /nfs/dbraw/zinc/91/67/33/706916733.db2.gz DFVSSWIXICAIJK-KTAKPFMOSA-N 2 0 331.464 1.206 20 0 EDADRP COc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999420747 706926389 /nfs/dbraw/zinc/92/63/89/706926389.db2.gz IEXSJWJXTONOLJ-PBHICJAKSA-N 2 0 349.479 1.152 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999510753 707009070 /nfs/dbraw/zinc/00/90/70/707009070.db2.gz LXUIYRMMDAAXRU-RTBURBONSA-N 2 0 345.487 1.744 20 0 EDADRP CCOc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)n1 ZINC000999491561 707028048 /nfs/dbraw/zinc/02/80/48/707028048.db2.gz VYKLIYWTHDCLBQ-DLBZAZTESA-N 2 0 348.491 1.901 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999575952 707083047 /nfs/dbraw/zinc/08/30/47/707083047.db2.gz RTPBYVZELVVJRA-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999601270 707103350 /nfs/dbraw/zinc/10/33/50/707103350.db2.gz JKKPKBXESVVOTC-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999707651 707298872 /nfs/dbraw/zinc/29/88/72/707298872.db2.gz JOUHLOHROOJKFP-UHFFFAOYSA-N 2 0 335.477 1.021 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999837770 707408825 /nfs/dbraw/zinc/40/88/25/707408825.db2.gz SCFPMFHHJBOHAC-GRTSSRMGSA-N 2 0 336.867 1.766 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946808706 707507775 /nfs/dbraw/zinc/50/77/75/707507775.db2.gz RSVLTAXJZASNAQ-FGTMMUONSA-N 2 0 337.508 1.412 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999971549 707581711 /nfs/dbraw/zinc/58/17/11/707581711.db2.gz BPGYORNMLBPHSD-ZWKOTPCHSA-N 2 0 347.507 1.623 20 0 EDADRP CN(C(=O)[C@H]1COCCN1C1CCCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033365946 707661071 /nfs/dbraw/zinc/66/10/71/707661071.db2.gz RQOLYAPBPKOQDF-RTBURBONSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033398463 707739165 /nfs/dbraw/zinc/73/91/65/707739165.db2.gz WTQHEZXMKFMDTI-FUHWJXTLSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCOc3ccccc3)C2)C1 ZINC001033415440 707792041 /nfs/dbraw/zinc/79/20/41/707792041.db2.gz IQTMRCPAAAKZCN-QZTJIDSGSA-N 2 0 345.487 1.940 20 0 EDADRP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420488 707832005 /nfs/dbraw/zinc/83/20/05/707832005.db2.gz PWAARXVPFPBPFD-QAPCUYQASA-N 2 0 330.476 1.765 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033426131 707847079 /nfs/dbraw/zinc/84/70/79/707847079.db2.gz NRGBUTWQJHXJQY-KRWDZBQOSA-N 2 0 337.508 1.678 20 0 EDADRP CC1([NH+]2CCC2)CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000921717449 707898780 /nfs/dbraw/zinc/89/87/80/707898780.db2.gz BRNQPMAJSGXXEV-UHFFFAOYSA-N 2 0 343.537 1.799 20 0 EDADRP COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)ccc1C ZINC001032780775 707965593 /nfs/dbraw/zinc/96/55/93/707965593.db2.gz CWFRGQNDKRHJKV-SQNIBIBYSA-N 2 0 343.471 1.740 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001005183458 708134131 /nfs/dbraw/zinc/13/41/31/708134131.db2.gz IPFJWCLRBPZCST-LSDHHAIUSA-N 2 0 345.434 1.428 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593787 708293187 /nfs/dbraw/zinc/29/31/87/708293187.db2.gz MGDBYXQIZQXDSF-HNNXBMFYSA-N 2 0 346.475 1.674 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033593855 708294558 /nfs/dbraw/zinc/29/45/58/708294558.db2.gz NEKULXPZKXFPEU-CQSZACIVSA-N 2 0 327.419 1.660 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033662169 708477286 /nfs/dbraw/zinc/47/72/86/708477286.db2.gz OGRDCOXSXUHEJG-LSDHHAIUSA-N 2 0 336.505 1.478 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686724 708501492 /nfs/dbraw/zinc/50/14/92/708501492.db2.gz SLKNFAOLNOZLEM-MSOLQXFVSA-N 2 0 347.507 1.370 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(Cc2cncs2)C1 ZINC001033830311 708851608 /nfs/dbraw/zinc/85/16/08/708851608.db2.gz HDTFWKOMPCPCJX-DOTOQJQBSA-N 2 0 348.516 1.908 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001002472372 709005504 /nfs/dbraw/zinc/00/55/04/709005504.db2.gz ABXWVBZNKSMPJB-ROUUACIJSA-N 2 0 337.508 1.602 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033939943 709145299 /nfs/dbraw/zinc/14/52/99/709145299.db2.gz FCQLXBPFFNDNJB-GOSISDBHSA-N 2 0 330.476 1.846 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033941309 709147758 /nfs/dbraw/zinc/14/77/58/709147758.db2.gz PFYCDMZEEQWFPN-GOSISDBHSA-N 2 0 347.507 1.227 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034015477 709232089 /nfs/dbraw/zinc/23/20/89/709232089.db2.gz HLNWEQRKRPCYKW-IRXDYDNUSA-N 2 0 335.492 1.432 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001034043903 709295182 /nfs/dbraw/zinc/29/51/82/709295182.db2.gz YEEUOUDUJJYEJG-FUHWJXTLSA-N 2 0 330.476 1.765 20 0 EDADRP C[C@H](O)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005504492 709333915 /nfs/dbraw/zinc/33/39/15/709333915.db2.gz SAQVVQPYVUAUOZ-YJBOKZPZSA-N 2 0 337.508 1.697 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001002792022 709399726 /nfs/dbraw/zinc/39/97/26/709399726.db2.gz MKWNZTDXEISNOD-SFHVURJKSA-N 2 0 347.507 1.416 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002832218 709443319 /nfs/dbraw/zinc/44/33/19/709443319.db2.gz LHDVRENLYSABIS-MOPGFXCFSA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001032829793 709460236 /nfs/dbraw/zinc/46/02/36/709460236.db2.gz UXMWCZWCVHPGEC-BZSNNMDCSA-N 2 0 337.508 1.602 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034212970 709564167 /nfs/dbraw/zinc/56/41/67/709564167.db2.gz SMYIGDSWPKTRRQ-QZTJIDSGSA-N 2 0 345.491 1.196 20 0 EDADRP Cn1ccc(CN2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001034387463 709916805 /nfs/dbraw/zinc/91/68/05/709916805.db2.gz ZWYDKMGHGCCMIX-MRXNPFEDSA-N 2 0 333.480 1.233 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034397335 709938023 /nfs/dbraw/zinc/93/80/23/709938023.db2.gz KHNOQWMFQLYBNS-MAUKXSAKSA-N 2 0 343.487 1.816 20 0 EDADRP O=C(N[C@H]1CCCC[N@@H+](CCCO)C1)C1CC[NH+](CC2CC2)CC1 ZINC001034476815 710083461 /nfs/dbraw/zinc/08/34/61/710083461.db2.gz HDEFLCDIFLYOKJ-SFHVURJKSA-N 2 0 337.508 1.462 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001034529071 710183540 /nfs/dbraw/zinc/18/35/40/710183540.db2.gz WBOQTGIOWSAEGK-LJQANCHMSA-N 2 0 345.487 1.745 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001003283580 710221198 /nfs/dbraw/zinc/22/11/98/710221198.db2.gz JWPPLTATRXRIBE-CQSZACIVSA-N 2 0 343.431 1.496 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034649014 710325521 /nfs/dbraw/zinc/32/55/21/710325521.db2.gz OXAJEPUXZMLCHM-WNHJNPCNSA-N 2 0 349.519 1.772 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001034649483 710325848 /nfs/dbraw/zinc/32/58/48/710325848.db2.gz YGFZVFZCXOYCPS-BQFCYCMXSA-N 2 0 345.491 1.279 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034649228 710325893 /nfs/dbraw/zinc/32/58/93/710325893.db2.gz UAOYDBMGDIAFLX-VJANTYMQSA-N 2 0 349.519 1.914 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001034652826 710328195 /nfs/dbraw/zinc/32/81/95/710328195.db2.gz AKUSXPBHCJXTGC-SRABZTEZSA-N 2 0 348.447 1.055 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001003493260 710375901 /nfs/dbraw/zinc/37/59/01/710375901.db2.gz UNTFVMLUFQKNBQ-RDJZCZTQSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003624355 710453421 /nfs/dbraw/zinc/45/34/21/710453421.db2.gz OOMGWMGQYUCBSV-CQSZACIVSA-N 2 0 333.480 1.293 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630026 710459554 /nfs/dbraw/zinc/45/95/54/710459554.db2.gz HXYREEQDTJEPIN-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034658854 710587671 /nfs/dbraw/zinc/58/76/71/710587671.db2.gz JQMGKSRAIOISHF-BFYDXBDKSA-N 2 0 348.495 1.207 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034673636 710611720 /nfs/dbraw/zinc/61/17/20/710611720.db2.gz DJYQTCDTACWRHF-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC001034675009 710626380 /nfs/dbraw/zinc/62/63/80/710626380.db2.gz XMTWYOLWNMFUPS-BFYDXBDKSA-N 2 0 334.464 1.984 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC001034674956 710626576 /nfs/dbraw/zinc/62/65/76/710626576.db2.gz VXFGJUZQNUWMCT-QCEMKRCNSA-N 2 0 348.495 1.675 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](CC[C@@H]3CCOC3)CC2)CC1 ZINC001003841228 710674993 /nfs/dbraw/zinc/67/49/93/710674993.db2.gz KRRDDNPVZPYPSW-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC001003842456 710678361 /nfs/dbraw/zinc/67/83/61/710678361.db2.gz ZXQXNQVHIMWQSQ-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)C12CCC[NH+]1CCC2 ZINC001034682724 710686398 /nfs/dbraw/zinc/68/63/98/710686398.db2.gz VCESXVVPXXBEHR-SHTZXODSSA-N 2 0 332.448 1.820 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCc3nc(C)[nH]c3C2)CC1 ZINC001005627329 710751386 /nfs/dbraw/zinc/75/13/86/710751386.db2.gz YKJYFZACAVOLTM-DZGCQCFKSA-N 2 0 348.491 1.781 20 0 EDADRP Cc1c(C(=O)N(C)C2CC[NH+](C[C@@H](C)O)CC2)ccc2c[nH+]cn21 ZINC001005633576 710785581 /nfs/dbraw/zinc/78/55/81/710785581.db2.gz ZZYMUEGGGGEXFU-CYBMUJFWSA-N 2 0 330.432 1.560 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1COCCN1CC1CCC1 ZINC001034701284 710805313 /nfs/dbraw/zinc/80/53/13/710805313.db2.gz VVSWGIANONXFIC-ULQDDVLXSA-N 2 0 341.471 1.474 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)C1 ZINC001034733898 710914486 /nfs/dbraw/zinc/91/44/86/710914486.db2.gz GPAPIUHRCHJYMZ-BZUAXINKSA-N 2 0 333.480 1.279 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034735708 710921956 /nfs/dbraw/zinc/92/19/56/710921956.db2.gz MKZOMXUMPBROPK-BZUAXINKSA-N 2 0 333.480 1.421 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034736695 710923990 /nfs/dbraw/zinc/92/39/90/710923990.db2.gz AGKRBOFRICYPOH-QSPRXWTASA-N 2 0 348.491 1.952 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034737190 710949202 /nfs/dbraw/zinc/94/92/02/710949202.db2.gz HGCHUMDVQGNDMI-LEUOFYLZSA-N 2 0 330.476 1.796 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737556 710950494 /nfs/dbraw/zinc/95/04/94/710950494.db2.gz MLIZVWQDHSIZRF-KQTLUZQSSA-N 2 0 336.505 1.858 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034738220 710953664 /nfs/dbraw/zinc/95/36/64/710953664.db2.gz RMELSIBOQQVXOK-YFHUEUNASA-N 2 0 330.476 1.796 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1)C(N)=O ZINC001034748703 710955426 /nfs/dbraw/zinc/95/54/26/710955426.db2.gz BANFNWGRXRUYIB-QKPAOTATSA-N 2 0 338.496 1.142 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)CC1 ZINC001034764456 711040156 /nfs/dbraw/zinc/04/01/56/711040156.db2.gz XNLMCIDXBXHNPE-WKILWMFISA-N 2 0 348.495 1.064 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001034775684 711049462 /nfs/dbraw/zinc/04/94/62/711049462.db2.gz GDUZTDVSIAXVGJ-BRWVUGGUSA-N 2 0 347.507 1.587 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034775718 711049596 /nfs/dbraw/zinc/04/95/96/711049596.db2.gz HHJIDQNMANIZCR-BRWVUGGUSA-N 2 0 347.507 1.762 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC001034791612 711116295 /nfs/dbraw/zinc/11/62/95/711116295.db2.gz NVAJBFRQAFLWFF-BRWVUGGUSA-N 2 0 346.475 1.559 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC001034793156 711122045 /nfs/dbraw/zinc/12/20/45/711122045.db2.gz QPMOFICFROEZHL-MGPQQGTHSA-N 2 0 336.436 1.152 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003978703 711155299 /nfs/dbraw/zinc/15/52/99/711155299.db2.gz GQNMRJMJAYODKA-UHFFFAOYSA-N 2 0 328.460 1.566 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001003975653 711173161 /nfs/dbraw/zinc/17/31/61/711173161.db2.gz WJVBLOFGODEEJJ-KRWDZBQOSA-N 2 0 335.492 1.622 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC001034942330 711395371 /nfs/dbraw/zinc/39/53/71/711395371.db2.gz UMZJONXFFYWVTE-MSOLQXFVSA-N 2 0 328.460 1.504 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)ccn1 ZINC001034956638 711426698 /nfs/dbraw/zinc/42/66/98/711426698.db2.gz CTXVWZQHZWGRCW-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034958484 711432437 /nfs/dbraw/zinc/43/24/37/711432437.db2.gz JENJZJASCCBMCQ-WBVHZDCISA-N 2 0 333.480 1.324 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388807 711432581 /nfs/dbraw/zinc/43/25/81/711432581.db2.gz RLJDQIHAJVBMSF-VXIBKDFQSA-N 2 0 331.460 1.355 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)on1 ZINC001034940098 711443435 /nfs/dbraw/zinc/44/34/35/711443435.db2.gz XLUQDNBXMGINRT-UMVBOHGHSA-N 2 0 336.436 1.104 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3c(F)cccc3F)CC2)C1 ZINC001004145088 711553719 /nfs/dbraw/zinc/55/37/19/711553719.db2.gz SJPYJUFDERFFEF-ZDUSSCGKSA-N 2 0 337.414 1.997 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001004147888 711560271 /nfs/dbraw/zinc/56/02/71/711560271.db2.gz MTKRLKKXIIFOAC-UHFFFAOYSA-N 2 0 333.480 1.122 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC001004148877 711562283 /nfs/dbraw/zinc/56/22/83/711562283.db2.gz XBYRDTBJZWASAR-UHFFFAOYSA-N 2 0 332.448 1.267 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCn3cc(Cl)cn3)CC2)C1 ZINC001004151414 711568928 /nfs/dbraw/zinc/56/89/28/711568928.db2.gz YBVIBEPIQWSSFF-CYBMUJFWSA-N 2 0 339.871 1.069 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]2CC1)[NH+](C)C ZINC000946642344 712126895 /nfs/dbraw/zinc/12/68/95/712126895.db2.gz FTOZETFNHQFSCO-SOLBZPMBSA-N 2 0 348.491 1.994 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000237186852 282111129 /nfs/dbraw/zinc/11/11/29/282111129.db2.gz POJCZUHQODTNRN-HNNXBMFYSA-N 2 0 337.489 1.338 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000133370257 282171568 /nfs/dbraw/zinc/17/15/68/282171568.db2.gz MEJCQHBYMXZJOK-GJZGRUSLSA-N 2 0 325.453 1.640 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(CC(F)(F)F)c1 ZINC000349313058 539474262 /nfs/dbraw/zinc/47/42/62/539474262.db2.gz GMFZCJCYDJHIIE-UHFFFAOYSA-N 2 0 333.402 1.515 20 0 EDADRP CC(C)[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000077323618 535036601 /nfs/dbraw/zinc/03/66/01/535036601.db2.gz JWVIIKKFDCIOAV-UHFFFAOYSA-N 2 0 325.497 1.865 20 0 EDADRP O=S(=O)(NC1CC[NH+](CC2CC[NH2+]CC2)CC1)c1cccs1 ZINC000178958042 232646153 /nfs/dbraw/zinc/64/61/53/232646153.db2.gz NRWDAWYSNFFIEW-UHFFFAOYSA-N 2 0 343.518 1.490 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337691094 539690963 /nfs/dbraw/zinc/69/09/63/539690963.db2.gz URWBCJVZSOODKP-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000344635013 539813623 /nfs/dbraw/zinc/81/36/23/539813623.db2.gz DRROMMMVKHQBKS-UHFFFAOYSA-N 2 0 334.386 1.770 20 0 EDADRP C=Cn1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cn1 ZINC000562505617 306300787 /nfs/dbraw/zinc/30/07/87/306300787.db2.gz YAJLLXQIUYNCNF-SFHVURJKSA-N 2 0 341.459 1.362 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000355955547 539961349 /nfs/dbraw/zinc/96/13/49/539961349.db2.gz OBQCQYVDKGOMTL-INIZCTEOSA-N 2 0 342.528 1.905 20 0 EDADRP CS(=O)(=O)N(CC[NH+]1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000563275589 306325913 /nfs/dbraw/zinc/32/59/13/306325913.db2.gz OSLURCNBUKZFIH-UHFFFAOYSA-N 2 0 339.505 1.509 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352325 306329308 /nfs/dbraw/zinc/32/93/08/306329308.db2.gz IOKUPSLIWQRUFL-PKOBYXMFSA-N 2 0 334.460 1.447 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000048093088 540183792 /nfs/dbraw/zinc/18/37/92/540183792.db2.gz SGLUUBYFORIBEP-KRWDZBQOSA-N 2 0 338.496 1.269 20 0 EDADRP COc1cccc(CNC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1 ZINC000056525137 138151069 /nfs/dbraw/zinc/15/10/69/138151069.db2.gz XVWFDIHENRSQJO-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000098030441 138297213 /nfs/dbraw/zinc/29/72/13/138297213.db2.gz BUDJXFMJGKOOTA-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)s1 ZINC000092720764 138290276 /nfs/dbraw/zinc/29/02/76/138290276.db2.gz QJWJTUXLIPCFEY-CQSZACIVSA-N 2 0 340.537 1.929 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000563590397 306340317 /nfs/dbraw/zinc/34/03/17/306340317.db2.gz DOEBWCTUNOECLR-SJORKVTESA-N 2 0 332.448 1.020 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209341 306357058 /nfs/dbraw/zinc/35/70/58/306357058.db2.gz NRTQLBMDXICSEU-GMBSWORKSA-N 2 0 345.443 1.640 20 0 EDADRP CCc1cccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000564724134 306363875 /nfs/dbraw/zinc/36/38/75/306363875.db2.gz VBEURQWZEZQYJY-IEBWSBKVSA-N 2 0 349.519 1.462 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423182590 299293721 /nfs/dbraw/zinc/29/37/21/299293721.db2.gz QMKFNEDXUVXWFP-KRWDZBQOSA-N 3 0 334.508 1.573 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000565095224 306375287 /nfs/dbraw/zinc/37/52/87/306375287.db2.gz SHFATSQPXTXGAI-CQSZACIVSA-N 2 0 334.464 1.616 20 0 EDADRP CC(C)C[C@@H]([NH3+])CN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000414694343 304128251 /nfs/dbraw/zinc/12/82/51/304128251.db2.gz NGBFLZYHNURSCA-MSOLQXFVSA-N 2 0 326.529 1.087 20 0 EDADRP C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707801 304130737 /nfs/dbraw/zinc/13/07/37/304130737.db2.gz ZBQXMIPCLXHKLU-CYBMUJFWSA-N 2 0 336.505 1.651 20 0 EDADRP CCN(CC)CC[N@H+](CC(C)C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414716887 304131950 /nfs/dbraw/zinc/13/19/50/304131950.db2.gz YTPRHUIDSKQFCK-QGZVFWFLSA-N 2 0 326.529 1.484 20 0 EDADRP CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717743 304132141 /nfs/dbraw/zinc/13/21/41/304132141.db2.gz ZYCHRQDPBAGCLN-SFHVURJKSA-N 2 0 346.519 1.684 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000414728746 304133816 /nfs/dbraw/zinc/13/38/16/304133816.db2.gz OXJGOJHQHYLADW-CVEARBPZSA-N 2 0 345.491 1.996 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H]([NH2+]C)C2)CC1 ZINC000414738880 304135290 /nfs/dbraw/zinc/13/52/90/304135290.db2.gz PFWMJVQFFHXJSC-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP Cc1ncc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)n1C ZINC000566498668 306417079 /nfs/dbraw/zinc/41/70/79/306417079.db2.gz FXEKZPZSAVUVQW-UHFFFAOYSA-N 2 0 329.448 1.310 20 0 EDADRP COC(=O)CCn1nc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000414773149 304139428 /nfs/dbraw/zinc/13/94/28/304139428.db2.gz WKWUFFGRSKIUKJ-IYBDPMFKSA-N 2 0 334.464 1.494 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414827219 304145119 /nfs/dbraw/zinc/14/51/19/304145119.db2.gz GVTTZBXTLQMOMY-ZIAGYGMSSA-N 2 0 333.432 1.780 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cc(F)c(F)c(F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000414996283 304149311 /nfs/dbraw/zinc/14/93/11/304149311.db2.gz XJUYTNCAGMQLAH-PBHICJAKSA-N 2 0 341.377 1.840 20 0 EDADRP c1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c2c(c1)OCCO2 ZINC000415125801 304162185 /nfs/dbraw/zinc/16/21/85/304162185.db2.gz FLGAZYABVZOBQR-CVEARBPZSA-N 2 0 330.428 1.658 20 0 EDADRP COc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(OC)c1 ZINC000415134248 304162584 /nfs/dbraw/zinc/16/25/84/304162584.db2.gz OGUASIRSACZEKJ-SJORKVTESA-N 2 0 332.444 1.904 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146093 304164722 /nfs/dbraw/zinc/16/47/22/304164722.db2.gz GCBDSHBOJFPHBQ-CVEARBPZSA-N 2 0 330.432 1.169 20 0 EDADRP COc1ccccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143583 304164378 /nfs/dbraw/zinc/16/43/78/304164378.db2.gz SWJHXKJZJCFXIW-IRXDYDNUSA-N 2 0 344.459 1.415 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267766 306445129 /nfs/dbraw/zinc/44/51/29/306445129.db2.gz LKAQFRZULQBZSI-MDZRGWNJSA-N 2 0 335.492 1.510 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000078647904 217094715 /nfs/dbraw/zinc/09/47/15/217094715.db2.gz NMTSFYHUMOWQAL-IEBWSBKVSA-N 2 0 344.503 1.403 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000415158520 304167723 /nfs/dbraw/zinc/16/77/23/304167723.db2.gz FPLNTKGNXODRIQ-NVXWUHKLSA-N 2 0 344.459 1.287 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000236766197 139030755 /nfs/dbraw/zinc/03/07/55/139030755.db2.gz IKHNYQONZGGJGS-UHFFFAOYSA-N 2 0 334.468 1.197 20 0 EDADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])Cc1ccccc1)Cc1ccc(F)cc1 ZINC000237143626 139042063 /nfs/dbraw/zinc/04/20/63/139042063.db2.gz RRSGIPXUHWQVSC-SFHVURJKSA-N 2 0 329.419 1.944 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC3CCC([NH3+])CC3)cc2)CC1 ZINC000237213477 139044558 /nfs/dbraw/zinc/04/45/58/139044558.db2.gz ZNYSKWCCKDVCNW-UHFFFAOYSA-N 2 0 330.476 1.434 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237215307 139044645 /nfs/dbraw/zinc/04/46/45/139044645.db2.gz LLMQGKXLDOZOAB-IBGZPJMESA-N 2 0 330.476 1.050 20 0 EDADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269440 139046177 /nfs/dbraw/zinc/04/61/77/139046177.db2.gz IHXNPCPVLXGADL-RTBURBONSA-N 2 0 345.487 1.878 20 0 EDADRP COC(=O)[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000337485529 284364944 /nfs/dbraw/zinc/36/49/44/284364944.db2.gz YLYGGCFTMVBGTB-SJORKVTESA-N 2 0 325.497 1.534 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H](C)[NH2+]C[C@H]3C)CC2)c1 ZINC000237729134 139058969 /nfs/dbraw/zinc/05/89/69/139058969.db2.gz VJWLVLAMMOPUPD-ZWKOTPCHSA-N 2 0 344.503 1.716 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)cc1 ZINC000415261684 304180895 /nfs/dbraw/zinc/18/08/95/304180895.db2.gz ZLLQWSSAEFRHAJ-CQSZACIVSA-N 2 0 344.459 1.287 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000246184966 139098132 /nfs/dbraw/zinc/09/81/32/139098132.db2.gz MBAALXCUKBPMOV-TWMKSMIVSA-N 2 0 338.496 1.364 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N2CCO[C@](C)(c3ccccc3)C2)CC1 ZINC000246477788 139109957 /nfs/dbraw/zinc/10/99/57/139109957.db2.gz MZZGGVCRNZOUOV-XLIONFOSSA-N 2 0 345.487 1.787 20 0 EDADRP CN1CCO[C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000246786881 139121695 /nfs/dbraw/zinc/12/16/95/139121695.db2.gz RASNFIYPAHSCMS-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000246959792 139128494 /nfs/dbraw/zinc/12/84/94/139128494.db2.gz HZDRUSHFRAJKFR-GOEBONIOSA-N 2 0 334.464 1.434 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000246962821 139128829 /nfs/dbraw/zinc/12/88/29/139128829.db2.gz IEDJNPWTPLNFOD-ZBFHGGJFSA-N 2 0 332.448 1.331 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH3+])C2)c1)C1CC1 ZINC000415349801 304200870 /nfs/dbraw/zinc/20/08/70/304200870.db2.gz DRMWERPCIWSISQ-OAHLLOKOSA-N 2 0 344.459 1.069 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)C(C)C ZINC000410475620 250319133 /nfs/dbraw/zinc/31/91/33/250319133.db2.gz MZSUFZMTSBEGKH-INIZCTEOSA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249758806 139198195 /nfs/dbraw/zinc/19/81/95/139198195.db2.gz VULUVTLVRHSPLI-HHARLNAUSA-N 2 0 325.497 1.863 20 0 EDADRP C[C@@H]1CCN(CC(=O)Nc2ccc(Br)cn2)C[C@H]1C[NH3+] ZINC000253190135 139205708 /nfs/dbraw/zinc/20/57/08/139205708.db2.gz KRKPMDICLYRKHF-GHMZBOCLSA-N 2 0 341.253 1.699 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000261613366 139211110 /nfs/dbraw/zinc/21/11/10/139211110.db2.gz BHIUZQMLOLICFB-STQMWFEESA-N 2 0 337.386 1.146 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCC[NH2+]1 ZINC000261683203 139217182 /nfs/dbraw/zinc/21/71/82/139217182.db2.gz KDCFQTFKRISMNZ-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@](C)(C[NH3+])C3)cc2)CC1 ZINC000261687363 139217582 /nfs/dbraw/zinc/21/75/82/139217582.db2.gz AXDCVOFLNQSPLC-LJQANCHMSA-N 2 0 330.476 1.245 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000261698968 139218624 /nfs/dbraw/zinc/21/86/24/139218624.db2.gz IADOYURCKITIFW-GDBMZVCRSA-N 2 0 337.489 1.755 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)O1 ZINC000261796687 139226938 /nfs/dbraw/zinc/22/69/38/139226938.db2.gz GTDCAOZBYBGIKH-SJORKVTESA-N 2 0 333.432 1.088 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000261774395 139224952 /nfs/dbraw/zinc/22/49/52/139224952.db2.gz MPTZPTVSBDLZRI-QZTJIDSGSA-N 2 0 331.460 1.694 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[NH+](C)C)c1 ZINC000261862503 139232147 /nfs/dbraw/zinc/23/21/47/139232147.db2.gz SIZFLFDCNNIWNN-DLBZAZTESA-N 2 0 335.448 1.168 20 0 EDADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)cn1 ZINC000261941867 139238916 /nfs/dbraw/zinc/23/89/16/139238916.db2.gz MVZZPZWJZGJMEA-CYBMUJFWSA-N 2 0 347.488 1.436 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000415503635 304225351 /nfs/dbraw/zinc/22/53/51/304225351.db2.gz OUKDXGADGANDPC-INIZCTEOSA-N 2 0 334.464 1.519 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCOCC1 ZINC000187742137 272952507 /nfs/dbraw/zinc/95/25/07/272952507.db2.gz PNFALFIDZZKEIW-GOSISDBHSA-N 2 0 348.491 1.365 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c1 ZINC000415553907 251007623 /nfs/dbraw/zinc/00/76/23/251007623.db2.gz GWOZCORHXKOLJS-LSDHHAIUSA-N 2 0 346.475 1.676 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416789000 251110608 /nfs/dbraw/zinc/11/06/08/251110608.db2.gz CPNUQMPCGVQFLP-QZTJIDSGSA-N 2 0 342.487 1.902 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]C[C@H]1O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416832868 251112833 /nfs/dbraw/zinc/11/28/33/251112833.db2.gz WUXGLJXSBQDTBZ-JKSUJKDBSA-N 2 0 338.496 1.055 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000416991137 251121771 /nfs/dbraw/zinc/12/17/71/251121771.db2.gz OCTRAZQJEHUMRP-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP COCC1(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000417002641 251127372 /nfs/dbraw/zinc/12/73/72/251127372.db2.gz AUAACJOAUYQUKT-JKSUJKDBSA-N 2 0 340.512 1.422 20 0 EDADRP CC[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417007177 251128112 /nfs/dbraw/zinc/12/81/12/251128112.db2.gz GVBOKAGKOXUKDK-MAUKXSAKSA-N 2 0 330.476 1.827 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417013251 251130669 /nfs/dbraw/zinc/13/06/69/251130669.db2.gz YMUNTMBVGLVCLW-HYVNUMGLSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013030 251130910 /nfs/dbraw/zinc/13/09/10/251130910.db2.gz BIACGOWEHHUIKK-MRXNPFEDSA-N 2 0 333.480 1.235 20 0 EDADRP CN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417010720 251131009 /nfs/dbraw/zinc/13/10/09/251131009.db2.gz QACOTFYPWDCBMG-DFNIBXOVSA-N 2 0 342.487 1.969 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417014499 251132320 /nfs/dbraw/zinc/13/23/20/251132320.db2.gz DLJPEJJDDBFMEJ-MRXNPFEDSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417020200 251134413 /nfs/dbraw/zinc/13/44/13/251134413.db2.gz MBRPTWQDCZVAJV-WMZOPIPTSA-N 2 0 345.491 1.330 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417018513 251134841 /nfs/dbraw/zinc/13/48/41/251134841.db2.gz KDCWLEYZEJSFRB-QGZVFWFLSA-N 2 0 347.507 1.496 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000417000690 251124627 /nfs/dbraw/zinc/12/46/27/251124627.db2.gz ZAJCDQOXGKXACJ-YJBOKZPZSA-N 2 0 348.491 1.896 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417001682 251126705 /nfs/dbraw/zinc/12/67/05/251126705.db2.gz FDOCOHXWSRAYDR-AEFFLSMTSA-N 2 0 328.460 1.296 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262333228 139271059 /nfs/dbraw/zinc/27/10/59/139271059.db2.gz SKAFQLJVPOQGNE-MSOLQXFVSA-N 2 0 349.523 1.550 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417308475 251153620 /nfs/dbraw/zinc/15/36/20/251153620.db2.gz CRLSULCXALCEPP-HZPDHXFCSA-N 2 0 330.476 1.684 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000417423526 251168191 /nfs/dbraw/zinc/16/81/91/251168191.db2.gz RLBPMSMPWCXRGE-HZPDHXFCSA-N 2 0 334.464 1.976 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417306828 251154354 /nfs/dbraw/zinc/15/43/54/251154354.db2.gz ATWLHTQQVIKFAZ-DNVCBOLYSA-N 2 0 330.476 1.814 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000262369942 139273846 /nfs/dbraw/zinc/27/38/46/139273846.db2.gz WALDBNSAEURZKR-SQNIBIBYSA-N 2 0 347.507 1.350 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])c1ccccc1 ZINC000417494122 251179465 /nfs/dbraw/zinc/17/94/65/251179465.db2.gz OYIOWZUGQHBRBL-VYDXJSESSA-N 2 0 336.480 1.731 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1F ZINC000417656950 251215632 /nfs/dbraw/zinc/21/56/32/251215632.db2.gz GXZUQTRTZVVPQL-QRTARXTBSA-N 2 0 334.439 1.766 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000417660862 251217260 /nfs/dbraw/zinc/21/72/60/251217260.db2.gz NXXVTQQJQSBEES-KCPJHIHWSA-N 2 0 340.418 1.865 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)[C@@H](C)C1 ZINC000417666360 251219506 /nfs/dbraw/zinc/21/95/06/251219506.db2.gz CPVVELCNQNKOPE-CWRNSKLLSA-N 2 0 326.485 1.160 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000417598043 251204164 /nfs/dbraw/zinc/20/41/64/251204164.db2.gz WUQBPEZCVUKZKZ-KRWDZBQOSA-N 2 0 346.475 1.651 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417615921 251207606 /nfs/dbraw/zinc/20/76/06/251207606.db2.gz YJJWWLONVAQVEJ-IRXDYDNUSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(CC[NH3+])CCO)CC1 ZINC000417687867 251229277 /nfs/dbraw/zinc/22/92/77/251229277.db2.gz IGHCHTWOUWUIHD-HNNXBMFYSA-N 2 0 334.464 1.175 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)N(CC[NH3+])CCO)CCCC1)c1ccccc1 ZINC000417697391 251233127 /nfs/dbraw/zinc/23/31/27/251233127.db2.gz DRIABWHLABYLCA-INIZCTEOSA-N 2 0 348.491 1.613 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000417667223 251220807 /nfs/dbraw/zinc/22/08/07/251220807.db2.gz GFUNCOBGTIJKRP-PMPSAXMXSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000417723775 251242228 /nfs/dbraw/zinc/24/22/28/251242228.db2.gz CIPHFUTTWXIJFD-INIZCTEOSA-N 2 0 345.491 2.000 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000417721469 251243329 /nfs/dbraw/zinc/24/33/29/251243329.db2.gz AKQOYUGVZASGHH-JKSUJKDBSA-N 2 0 333.480 1.234 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417847059 251295189 /nfs/dbraw/zinc/29/51/89/251295189.db2.gz YYQCTVYNXGIZGT-GDBMZVCRSA-N 2 0 342.447 1.022 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417800116 251274067 /nfs/dbraw/zinc/27/40/67/251274067.db2.gz BYKFADHDDPUECG-GDBMZVCRSA-N 2 0 326.485 1.316 20 0 EDADRP C[C@@H](CCNC(=O)NCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000417807942 251278089 /nfs/dbraw/zinc/27/80/89/251278089.db2.gz DVZGMEZETRIXJB-KRWDZBQOSA-N 2 0 347.507 1.101 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417816347 251282395 /nfs/dbraw/zinc/28/23/95/251282395.db2.gz PYSKHNULCJVHCG-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)cc1 ZINC000417823048 251284114 /nfs/dbraw/zinc/28/41/14/251284114.db2.gz XTZCZJHLFYARNQ-SWLSCSKDSA-N 2 0 327.432 1.826 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)CCC(F)(F)F ZINC000418078014 251321662 /nfs/dbraw/zinc/32/16/62/251321662.db2.gz MZLWDWKEVXDDCO-LBPRGKRZSA-N 2 0 340.390 1.020 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000418109619 251324826 /nfs/dbraw/zinc/32/48/26/251324826.db2.gz VAKRDGQTKRJWBR-GJZGRUSLSA-N 2 0 340.418 1.790 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000417861137 251301648 /nfs/dbraw/zinc/30/16/48/251301648.db2.gz ZZRMVIHDKHQNHJ-GOSISDBHSA-N 2 0 348.491 1.426 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418476973 251373707 /nfs/dbraw/zinc/37/37/07/251373707.db2.gz UHWSCBWRSYWSTB-BZUAXINKSA-N 2 0 340.512 1.502 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000418128741 251336995 /nfs/dbraw/zinc/33/69/95/251336995.db2.gz AWHBUYNLHZQJHV-XDNAFOTISA-N 2 0 328.460 1.414 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418196497 251354789 /nfs/dbraw/zinc/35/47/89/251354789.db2.gz RDLNTKCHZPCXGD-UHFFFAOYSA-N 2 0 347.463 1.131 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418714548 251392941 /nfs/dbraw/zinc/39/29/41/251392941.db2.gz YQTLOLWHPNWAGP-ZOBUZTSGSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418582775 251379509 /nfs/dbraw/zinc/37/95/09/251379509.db2.gz VUFVEXAOIJGBIG-WMLDXEAASA-N 2 0 336.455 1.897 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000418623583 251380682 /nfs/dbraw/zinc/38/06/82/251380682.db2.gz OFKGBOGCUVMJKI-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000418685762 251385888 /nfs/dbraw/zinc/38/58/88/251385888.db2.gz ZTJDYQWMWDJALD-KGLIPLIRSA-N 2 0 326.391 1.763 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000418685761 251386675 /nfs/dbraw/zinc/38/66/75/251386675.db2.gz ZTJDYQWMWDJALD-KBPBESRZSA-N 2 0 326.391 1.763 20 0 EDADRP Cc1nn(C)c(C)c1CN1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000262661492 139294122 /nfs/dbraw/zinc/29/41/22/139294122.db2.gz YIUGZBUVZLWMMV-UHFFFAOYSA-N 2 0 333.480 1.343 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262671664 139295050 /nfs/dbraw/zinc/29/50/50/139295050.db2.gz ONIPFKJTVDPJRY-RHSMWYFYSA-N 2 0 346.475 1.824 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262673155 139295218 /nfs/dbraw/zinc/29/52/18/139295218.db2.gz SKAGGFDOTNYDEK-ROUUACIJSA-N 2 0 333.476 1.954 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262715750 139298406 /nfs/dbraw/zinc/29/84/06/139298406.db2.gz VJHOHRBHFRGQQL-DAYGRLMNSA-N 2 0 325.497 1.852 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262713997 139298460 /nfs/dbraw/zinc/29/84/60/139298460.db2.gz SYTFKIITOQZANP-IBGZPJMESA-N 2 0 346.475 1.840 20 0 EDADRP CN(Cc1cccs1)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420332715 251676945 /nfs/dbraw/zinc/67/69/45/251676945.db2.gz SELKHQUYWLVDEB-WBVHZDCISA-N 2 0 337.489 1.535 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000262804171 139304764 /nfs/dbraw/zinc/30/47/64/139304764.db2.gz PPJOMOBAWGJDJF-SJORKVTESA-N 2 0 330.476 1.408 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422881470 252009809 /nfs/dbraw/zinc/00/98/09/252009809.db2.gz NTVNTZGEVSITGW-CRAIPNDOSA-N 2 0 330.476 1.162 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422889622 252012362 /nfs/dbraw/zinc/01/23/62/252012362.db2.gz PYRZVRBFXKOZHR-APWZRJJASA-N 3 0 346.519 1.991 20 0 EDADRP COCC[N@@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422890266 252013390 /nfs/dbraw/zinc/01/33/90/252013390.db2.gz RPJFYIKALKESCA-WDSOQIARSA-N 2 0 333.476 1.799 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422897160 252014797 /nfs/dbraw/zinc/01/47/97/252014797.db2.gz JFNBAENDGCEGHG-VAMGGRTRSA-N 3 0 347.503 1.874 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422843068 251996579 /nfs/dbraw/zinc/99/65/79/251996579.db2.gz GVDFTIPAHQCDAC-KRWDZBQOSA-N 2 0 332.492 1.832 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000423777656 252070111 /nfs/dbraw/zinc/07/01/11/252070111.db2.gz RUAPTBRUXYAKFO-KFWWJZLASA-N 2 0 325.840 1.565 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423959811 252108701 /nfs/dbraw/zinc/10/87/01/252108701.db2.gz XTJHDQZQSPHEQU-OPQOLIRYSA-N 2 0 336.524 1.617 20 0 EDADRP CCc1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)co1 ZINC000424022418 252115897 /nfs/dbraw/zinc/11/58/97/252115897.db2.gz UBJZRJVBVWHDFL-UHFFFAOYSA-N 2 0 342.443 1.960 20 0 EDADRP Cc1n[nH]cc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424023366 252117938 /nfs/dbraw/zinc/11/79/38/252117938.db2.gz VOBVHFLEJMZZMU-UHFFFAOYSA-N 2 0 327.432 1.441 20 0 EDADRP Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424142550 252142184 /nfs/dbraw/zinc/14/21/84/252142184.db2.gz YKQRWXPWSWVFMV-KBPBESRZSA-N 2 0 331.464 1.101 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424144844 252143637 /nfs/dbraw/zinc/14/36/37/252143637.db2.gz MFQDOTHZWKZTMV-JKSUJKDBSA-N 2 0 346.479 1.197 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424145424 252143782 /nfs/dbraw/zinc/14/37/82/252143782.db2.gz NNVMXASNEXHYLJ-INIZCTEOSA-N 2 0 348.495 1.589 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CC[C@@H](C)[NH3+])CC2)c1 ZINC000262922286 139312968 /nfs/dbraw/zinc/31/29/68/139312968.db2.gz ZLYFQWQMLXNMFM-QGZVFWFLSA-N 2 0 332.492 1.751 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000415606208 304237783 /nfs/dbraw/zinc/23/77/83/304237783.db2.gz RAVLJMQYCBDZRJ-LJQANCHMSA-N 2 0 344.459 1.207 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000424464578 252238770 /nfs/dbraw/zinc/23/87/70/252238770.db2.gz ITLLZMJPKGCHMN-BBRMVZONSA-N 2 0 332.448 1.333 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)c1 ZINC000424434839 252228419 /nfs/dbraw/zinc/22/84/19/252228419.db2.gz DRKOXKGOXDLLCU-AWEZNQCLSA-N 2 0 332.448 1.240 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000424476056 252246445 /nfs/dbraw/zinc/24/64/45/252246445.db2.gz JZUTYHGUFVBFQZ-MRXNPFEDSA-N 2 0 334.464 1.439 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000415620573 304240745 /nfs/dbraw/zinc/24/07/45/304240745.db2.gz VDBXGXBXALXLAV-WMLDXEAASA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@H]1CCC[NH2+]C1 ZINC000263066595 139320632 /nfs/dbraw/zinc/32/06/32/139320632.db2.gz YZGZZFAXVZKXCW-KGLIPLIRSA-N 2 0 332.448 1.339 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000111834694 285023644 /nfs/dbraw/zinc/02/36/44/285023644.db2.gz JHIRJDVAQKZWIU-MRXNPFEDSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000112741890 220393092 /nfs/dbraw/zinc/39/30/92/220393092.db2.gz OWOWGPDULKEBCM-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(N(C)C)ccn1 ZINC000263663397 139350855 /nfs/dbraw/zinc/35/08/55/139350855.db2.gz HJCCAMHUDXUJIE-QGZVFWFLSA-N 2 0 347.507 1.636 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ncccc1O ZINC000263681273 139352459 /nfs/dbraw/zinc/35/24/59/139352459.db2.gz LDWMJQXEXWOOMF-UHFFFAOYSA-N 2 0 341.415 1.124 20 0 EDADRP CC(C)[C@H](C(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCCCC1 ZINC000114416099 220681698 /nfs/dbraw/zinc/68/16/98/220681698.db2.gz VTWDGAGEKAJSDE-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458338104 254909251 /nfs/dbraw/zinc/90/92/51/254909251.db2.gz BYOUZQRKXKAEHL-UHFFFAOYSA-N 2 0 328.501 1.515 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000570344575 306538596 /nfs/dbraw/zinc/53/85/96/306538596.db2.gz ZIYSKVNSGIXNAF-RTBURBONSA-N 3 0 344.503 1.872 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)[NH2+]1 ZINC000154083893 224200263 /nfs/dbraw/zinc/20/02/63/224200263.db2.gz RASMUYBRPGQQJZ-IAGOWNOFSA-N 2 0 330.476 1.408 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415780569 304269392 /nfs/dbraw/zinc/26/93/92/304269392.db2.gz CVJCSZUKMULNOY-UKRRQHHQSA-N 2 0 346.475 1.839 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415787813 304270985 /nfs/dbraw/zinc/27/09/85/304270985.db2.gz NNMKRCAVORTQST-MRXNPFEDSA-N 2 0 346.475 1.711 20 0 EDADRP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000493979449 255229343 /nfs/dbraw/zinc/22/93/43/255229343.db2.gz ZXGBOOPBCFLHJB-JQHSSLGASA-N 2 0 333.476 1.940 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415797168 304273361 /nfs/dbraw/zinc/27/33/61/304273361.db2.gz YHTHQOOVGOBIOQ-ZIAGYGMSSA-N 2 0 332.448 1.463 20 0 EDADRP COC1CCC([N@H+](C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496358880 255386239 /nfs/dbraw/zinc/38/62/39/255386239.db2.gz LDKXVIFHKMOKKN-HTWSVDAQSA-N 2 0 337.464 1.750 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496622632 255412730 /nfs/dbraw/zinc/41/27/30/255412730.db2.gz JXOAETMEDNPGIR-CYBMUJFWSA-N 2 0 327.473 1.357 20 0 EDADRP CC[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000117343732 221054847 /nfs/dbraw/zinc/05/48/47/221054847.db2.gz YJYIEVNQDHIFSU-ZWKOTPCHSA-N 2 0 339.524 1.972 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000118095351 221114748 /nfs/dbraw/zinc/11/47/48/221114748.db2.gz XMCRPXZNKWYLGP-UHFFFAOYSA-N 2 0 348.491 1.925 20 0 EDADRP C[NH+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000118094603 221115238 /nfs/dbraw/zinc/11/52/38/221115238.db2.gz JGWFRLSPNAGXJG-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP COc1ccc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1NC(C)=O ZINC000155070042 224353608 /nfs/dbraw/zinc/35/36/08/224353608.db2.gz ADJOAZHQXAYBKI-CABCVRRESA-N 2 0 348.491 1.940 20 0 EDADRP C[C@@H]([NH2+]C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132815393 533336235 /nfs/dbraw/zinc/33/62/35/533336235.db2.gz JHBHZBUWUZPPHH-CYBMUJFWSA-N 2 0 325.478 1.730 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)c1 ZINC000415928376 304285867 /nfs/dbraw/zinc/28/58/67/304285867.db2.gz FJLXGPUSDLHCTA-IRXDYDNUSA-N 2 0 334.464 1.979 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415933183 304286182 /nfs/dbraw/zinc/28/61/82/304286182.db2.gz FNCIJCAYMNPKEN-UHFFFAOYSA-N 2 0 349.479 1.172 20 0 EDADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000183558459 533573614 /nfs/dbraw/zinc/57/36/14/533573614.db2.gz FCGPNORVCGREOL-CVEARBPZSA-N 2 0 349.475 1.525 20 0 EDADRP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000183564706 533573942 /nfs/dbraw/zinc/57/39/42/533573942.db2.gz YHMXYGZWTPTCRI-HOTGVXAUSA-N 2 0 349.475 1.525 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381206 533646861 /nfs/dbraw/zinc/64/68/61/533646861.db2.gz IAGROUHFJLQPFY-IRXDYDNUSA-N 2 0 335.517 1.748 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269915843 140017815 /nfs/dbraw/zinc/01/78/15/140017815.db2.gz OVYCIPWRRFXOPZ-IBGZPJMESA-N 2 0 333.476 1.715 20 0 EDADRP C[NH+](C)CCCCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271070294 140230515 /nfs/dbraw/zinc/23/05/15/140230515.db2.gz YABWJPJFAQDRQJ-UHFFFAOYSA-N 2 0 347.503 1.963 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000271096257 140235848 /nfs/dbraw/zinc/23/58/48/140235848.db2.gz JBQLVRAHKUVMIK-CVEARBPZSA-N 2 0 337.464 1.747 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000274390148 140550673 /nfs/dbraw/zinc/55/06/73/140550673.db2.gz PAXDNCZIYRJFQH-HUUCEWRRSA-N 2 0 345.443 1.108 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000332125436 141127372 /nfs/dbraw/zinc/12/73/72/141127372.db2.gz GTCIGRSJAWFFJB-UHFFFAOYSA-N 2 0 333.432 1.305 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000333281231 141292295 /nfs/dbraw/zinc/29/22/95/141292295.db2.gz MMHOXBJIFQGFQL-ZFWWWQNUSA-N 2 0 331.526 1.557 20 0 EDADRP [NH3+]C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC1 ZINC000333389588 141310209 /nfs/dbraw/zinc/31/02/09/141310209.db2.gz ONQWEWDDQAAVGS-UHFFFAOYSA-N 2 0 340.537 1.871 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1[NH3+] ZINC000333570980 141338712 /nfs/dbraw/zinc/33/87/12/141338712.db2.gz MKZOKXMGPDOCDB-YOEHRIQHSA-N 2 0 331.464 1.677 20 0 EDADRP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NC1CCCCCC1 ZINC000333635308 141348376 /nfs/dbraw/zinc/34/83/76/141348376.db2.gz BJIPLYNWEYVSQF-SJORKVTESA-N 2 0 335.492 1.526 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCC1 ZINC000333668310 141353233 /nfs/dbraw/zinc/35/32/33/141353233.db2.gz MQURLDQRNJZSGV-YESZJQIVSA-N 2 0 338.496 1.432 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333672673 141354121 /nfs/dbraw/zinc/35/41/21/141354121.db2.gz NKPIRGZKBRLSMR-NVXWUHKLSA-N 2 0 338.496 1.128 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000333698676 141360794 /nfs/dbraw/zinc/36/07/94/141360794.db2.gz QNBVOEBTEORHTM-JKSUJKDBSA-N 2 0 338.496 1.034 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701009 141361199 /nfs/dbraw/zinc/36/11/99/141361199.db2.gz QUYTXKNXMLGDET-ARFHVFGLSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810116 141385584 /nfs/dbraw/zinc/38/55/84/141385584.db2.gz FKJFSZNHBBEITN-VQHPVUNQSA-N 2 0 335.492 1.382 20 0 EDADRP CC1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[NH2+]CC1 ZINC000333842911 141392428 /nfs/dbraw/zinc/39/24/28/141392428.db2.gz OPCBXDVMOCBBFL-UHFFFAOYSA-N 2 0 338.496 1.130 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000417677656 285693826 /nfs/dbraw/zinc/69/38/26/285693826.db2.gz IBEGTHQXQQNJBH-KFWWJZLASA-N 2 0 328.501 1.501 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338569688 141835065 /nfs/dbraw/zinc/83/50/65/141835065.db2.gz LIOCZGYFGOGPJM-HZPDHXFCSA-N 2 0 325.497 1.534 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000339415864 142042005 /nfs/dbraw/zinc/04/20/05/142042005.db2.gz WOADXCUCWLJFQN-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000339668411 142113549 /nfs/dbraw/zinc/11/35/49/142113549.db2.gz HLFQMLGRSDGAFZ-UHFFFAOYSA-N 2 0 340.512 1.164 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339922448 142200856 /nfs/dbraw/zinc/20/08/56/142200856.db2.gz NFRXDTJPHCFBOC-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP COC1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]CC1 ZINC000167389989 292085587 /nfs/dbraw/zinc/08/55/87/292085587.db2.gz DXVRCELSWKOXDC-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000345112337 143051884 /nfs/dbraw/zinc/05/18/84/143051884.db2.gz KTTPQKGQJWNUFH-OAHLLOKOSA-N 2 0 334.464 1.980 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCC2CCOCC2)CC1 ZINC000345157173 143059026 /nfs/dbraw/zinc/05/90/26/143059026.db2.gz WMAOVYVZCVAVOW-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000345307207 143075945 /nfs/dbraw/zinc/07/59/45/143075945.db2.gz MABZJUAWBZWQCG-CALCHBBNSA-N 2 0 347.507 1.679 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000345328943 143078765 /nfs/dbraw/zinc/07/87/65/143078765.db2.gz UZNXNUPLXYHXDY-MJGOQNOKSA-N 2 0 344.503 1.798 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]([NH3+])CC(F)F)c2)CC1 ZINC000345718396 143125144 /nfs/dbraw/zinc/12/51/44/143125144.db2.gz SDGVNYQZLNCWEB-CQSZACIVSA-N 2 0 326.391 1.355 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000345739104 143127484 /nfs/dbraw/zinc/12/74/84/143127484.db2.gz NIAMJLQABPVHOW-CABCVRRESA-N 2 0 326.485 1.221 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)CN2CC[NH+](CC)CC2)CC1 ZINC000346133168 143171012 /nfs/dbraw/zinc/17/10/12/143171012.db2.gz DDMMHPNERUJRCN-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346252644 143183859 /nfs/dbraw/zinc/18/38/59/143183859.db2.gz LPPKIDAYVWDXBH-BRWVUGGUSA-N 2 0 339.524 1.968 20 0 EDADRP Cn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(-c2ccncc2)n1 ZINC000346681088 143231068 /nfs/dbraw/zinc/23/10/68/143231068.db2.gz OFTVOUWMETUXKB-UHFFFAOYSA-N 2 0 329.448 1.812 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347032254 143274257 /nfs/dbraw/zinc/27/42/57/143274257.db2.gz ZQRHIVQBDRUASK-OAHLLOKOSA-N 2 0 348.466 1.713 20 0 EDADRP Cn1cnc2cc(C[N@@H+]3CCC[C@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000347157017 143288714 /nfs/dbraw/zinc/28/87/14/143288714.db2.gz DYFMZFVMZOHHHY-INIZCTEOSA-N 2 0 341.459 1.217 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000347648565 143345193 /nfs/dbraw/zinc/34/51/93/143345193.db2.gz PKYFGKQTEPKVBZ-HUUCEWRRSA-N 2 0 331.460 1.909 20 0 EDADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000348094812 143399928 /nfs/dbraw/zinc/39/99/28/143399928.db2.gz HNOYFRMBDDFLAJ-UHFFFAOYSA-N 2 0 338.448 1.734 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000416820109 304349967 /nfs/dbraw/zinc/34/99/67/304349967.db2.gz SXOUMYHCUKWQMD-QGZVFWFLSA-N 2 0 334.464 1.870 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+](C)C)cc1OC ZINC000416822619 304350334 /nfs/dbraw/zinc/35/03/34/304350334.db2.gz XIOFSCUUODUJEA-CYBMUJFWSA-N 2 0 338.452 1.343 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416842817 304351128 /nfs/dbraw/zinc/35/11/28/304351128.db2.gz KEEZEWNBBSYCKR-MAUKXSAKSA-N 2 0 348.491 1.987 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000417667650 286060610 /nfs/dbraw/zinc/06/06/10/286060610.db2.gz HBUXNCOIKUUDSV-NCOADZHNSA-N 2 0 338.496 1.127 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000352639966 149098083 /nfs/dbraw/zinc/09/80/83/149098083.db2.gz JXPMXKMHSBUNRY-MJGOQNOKSA-N 2 0 347.503 1.791 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000352793208 149167675 /nfs/dbraw/zinc/16/76/75/149167675.db2.gz APPUCWMQMXMSGU-GOSISDBHSA-N 2 0 338.540 1.828 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000416900643 304354757 /nfs/dbraw/zinc/35/47/57/304354757.db2.gz JFTRZLOXBZRDLZ-KRWDZBQOSA-N 2 0 332.448 1.152 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416963756 304356033 /nfs/dbraw/zinc/35/60/33/304356033.db2.gz BRXVVJADHPJUMK-YOEHRIQHSA-N 2 0 334.464 1.567 20 0 EDADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353394423 149390447 /nfs/dbraw/zinc/39/04/47/149390447.db2.gz CTWSOYMHSIADCD-MSOLQXFVSA-N 2 0 327.472 1.910 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416964747 304356272 /nfs/dbraw/zinc/35/62/72/304356272.db2.gz CSHRYMGXPQVAJQ-HRCADAONSA-N 2 0 348.491 1.703 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930177 155241024 /nfs/dbraw/zinc/24/10/24/155241024.db2.gz XBXGJPNFGLOULT-IAGOWNOFSA-N 2 0 335.492 1.717 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000416971395 304357701 /nfs/dbraw/zinc/35/77/01/304357701.db2.gz GQUQCSNOKNRHED-INIZCTEOSA-N 2 0 327.517 1.027 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416972733 304358244 /nfs/dbraw/zinc/35/82/44/304358244.db2.gz STBMDBPIRLDBQB-MRXNPFEDSA-N 2 0 336.480 1.800 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000416973923 304358621 /nfs/dbraw/zinc/35/86/21/304358621.db2.gz KEVOWACEVQAZTD-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@@H]2C1 ZINC000355341210 150223950 /nfs/dbraw/zinc/22/39/50/150223950.db2.gz VZLPRKFCFGCZKK-CVEARBPZSA-N 2 0 328.416 1.198 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000355351908 150228571 /nfs/dbraw/zinc/22/85/71/150228571.db2.gz UVYLKQHGOPRVPY-ROUUACIJSA-N 2 0 331.460 1.683 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573786439 306633904 /nfs/dbraw/zinc/63/39/04/306633904.db2.gz JIUFIBKKPTUNAJ-QYZOEREBSA-N 2 0 343.471 1.618 20 0 EDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000357553896 151065918 /nfs/dbraw/zinc/06/59/18/151065918.db2.gz PTJZFZSTWGCAOE-BBWFWOEESA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000358096093 151268737 /nfs/dbraw/zinc/26/87/37/151268737.db2.gz DXCYPMZNVLOJOX-HOTGVXAUSA-N 2 0 336.480 1.001 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000358254775 151318076 /nfs/dbraw/zinc/31/80/76/151318076.db2.gz QDJGWJCXJWLPKK-NXEWRWPSSA-N 3 0 329.488 1.838 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000358286871 151326454 /nfs/dbraw/zinc/32/64/54/151326454.db2.gz BQSQSHDBTVTHPT-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000417091188 304371678 /nfs/dbraw/zinc/37/16/78/304371678.db2.gz JDPFKFUFHDBGHH-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP COCC1(C[NH2+][C@H](C)CC(=O)N2CCCCCC2)CC[NH2+]CC1 ZINC000414982594 292248860 /nfs/dbraw/zinc/24/88/60/292248860.db2.gz YOQADYKARBRNOW-MRXNPFEDSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360376568 152011930 /nfs/dbraw/zinc/01/19/30/152011930.db2.gz JFFLJCIYFSXTKA-RDJZCZTQSA-N 2 0 342.553 1.987 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCOCC2)[C@H](C)C1 ZINC000361337851 152365696 /nfs/dbraw/zinc/36/56/96/152365696.db2.gz YXJANIBNSBCOHO-QZTJIDSGSA-N 2 0 327.513 1.435 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417182805 304381339 /nfs/dbraw/zinc/38/13/39/304381339.db2.gz JKHFTINXFUHDAP-ROUUACIJSA-N 2 0 332.492 1.976 20 0 EDADRP C[NH+](C)CCNC(=O)N[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000363857718 153076966 /nfs/dbraw/zinc/07/69/66/153076966.db2.gz ZZJWUSWKDKUNDW-RCCFBDPRSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)COC(C)(C)C ZINC000364349438 153212544 /nfs/dbraw/zinc/21/25/44/153212544.db2.gz AIBUUNYNMVLJBY-NCOADZHNSA-N 2 0 328.497 1.641 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000364357014 153214981 /nfs/dbraw/zinc/21/49/81/153214981.db2.gz RWNBUFLHLKVLFA-UHFFFAOYSA-N 2 0 345.487 1.933 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000367188178 154034409 /nfs/dbraw/zinc/03/44/09/154034409.db2.gz UHENNZOWOZJBLG-FCGDIQPGSA-N 2 0 343.471 1.502 20 0 EDADRP O=C(COc1ccccc1)N1CCC[N@H+](CCn2ccnc2)CC1 ZINC000367239471 154052275 /nfs/dbraw/zinc/05/22/75/154052275.db2.gz DSGUDGHDMLVFCP-UHFFFAOYSA-N 2 0 328.416 1.496 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000367283617 154066176 /nfs/dbraw/zinc/06/61/76/154066176.db2.gz XPVIDUQGZAITRW-MRXNPFEDSA-N 2 0 345.443 1.452 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000367594282 154191123 /nfs/dbraw/zinc/19/11/23/154191123.db2.gz PNPVWZMGNPENGT-ROUUACIJSA-N 2 0 331.460 1.647 20 0 EDADRP COC1(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)CCOCC1 ZINC000367692237 154232052 /nfs/dbraw/zinc/23/20/52/154232052.db2.gz YQXMMHZCXBJMGH-UHFFFAOYSA-N 2 0 325.497 1.141 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000417357127 304394358 /nfs/dbraw/zinc/39/43/58/304394358.db2.gz GEGLYRAFNKKKHP-KRWDZBQOSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000369395573 155011598 /nfs/dbraw/zinc/01/15/98/155011598.db2.gz NUGYNNWAYHUBNM-PVAVHDDUSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000574754601 306656881 /nfs/dbraw/zinc/65/68/81/306656881.db2.gz HUUMLEDNICMKMC-CWHNCZPISA-N 2 0 335.492 1.652 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417475397 304398295 /nfs/dbraw/zinc/39/82/95/304398295.db2.gz ATSQENBLVWYLDP-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP CCOCCN1CCN(C(=O)CN2CCc3sccc3C2)CC1 ZINC000371634015 156039811 /nfs/dbraw/zinc/03/98/11/156039811.db2.gz GKIGDTSZICHYCH-UHFFFAOYSA-N 2 0 337.489 1.287 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000372438558 156390410 /nfs/dbraw/zinc/39/04/10/156390410.db2.gz QIVWNDVUZCQKFK-IPMKNSEASA-N 2 0 343.471 1.630 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000575049098 306663254 /nfs/dbraw/zinc/66/32/54/306663254.db2.gz PRRYQJLVOBTMDL-UHFFFAOYSA-N 2 0 344.503 1.765 20 0 EDADRP CC[C@@H](C)[C@H](NC(=O)CN1CCC(c2c[nH]cn2)CC1)C(=O)OC ZINC000374201473 157191363 /nfs/dbraw/zinc/19/13/63/157191363.db2.gz WGYNCCRSGNDNIM-WBMJQRKESA-N 2 0 336.436 1.293 20 0 EDADRP C[N@H+](CCC(=O)N1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374776090 157397588 /nfs/dbraw/zinc/39/75/88/157397588.db2.gz FBSIDODUFBADSP-UHFFFAOYSA-N 2 0 346.475 1.479 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000575401780 306669247 /nfs/dbraw/zinc/66/92/47/306669247.db2.gz MQHBOVYJFKEAHC-XHSDSOJGSA-N 2 0 340.512 1.245 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000377787642 157992482 /nfs/dbraw/zinc/99/24/82/157992482.db2.gz WBEVJLAOXHXAIG-SJORKVTESA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000377935610 158033625 /nfs/dbraw/zinc/03/36/25/158033625.db2.gz BIFYTRYNRGMCRK-OVWQWFNUSA-N 2 0 347.507 1.650 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000378202661 158107807 /nfs/dbraw/zinc/10/78/07/158107807.db2.gz GVJRRVKIDCCZIT-DLBZAZTESA-N 2 0 336.524 1.523 20 0 EDADRP COCC[C@@]1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000378212946 158112123 /nfs/dbraw/zinc/11/21/23/158112123.db2.gz XNLDTIRWYIXWQW-IBGZPJMESA-N 2 0 349.475 1.259 20 0 EDADRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@@H](O)COc2ccccc2)CC1 ZINC000378274137 158126846 /nfs/dbraw/zinc/12/68/46/158126846.db2.gz DAXVNNKIOJHKSG-GOSISDBHSA-N 2 0 348.487 1.861 20 0 EDADRP CC[N@H+](CCNC(=O)C(C)(C)CN1CCn2ccnc2C1)C1CC1 ZINC000378510576 158194856 /nfs/dbraw/zinc/19/48/56/158194856.db2.gz GYUSCTDUTNZHEB-UHFFFAOYSA-N 2 0 333.480 1.325 20 0 EDADRP CCCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000417952947 304437528 /nfs/dbraw/zinc/43/75/28/304437528.db2.gz OYMSCJBHLBMZCA-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccon1 ZINC000352268539 162084607 /nfs/dbraw/zinc/08/46/07/162084607.db2.gz YMVZFJYUJAMWGN-AWEZNQCLSA-N 2 0 325.457 1.651 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(CC(C)C)C1CC[NH+](C)CC1 ZINC000352312287 162110592 /nfs/dbraw/zinc/11/05/92/162110592.db2.gz FCPPILFJGXYEAB-UHFFFAOYSA-N 2 0 333.542 1.710 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@H]21)CC1CCCC1 ZINC000352508005 162218626 /nfs/dbraw/zinc/21/86/26/162218626.db2.gz GBJSVFJHLQRZEY-MSOLQXFVSA-N 2 0 337.508 1.997 20 0 EDADRP CCCCOC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000365171900 162351601 /nfs/dbraw/zinc/35/16/01/162351601.db2.gz SMRSYZJTFJYDOV-ZWKOTPCHSA-N 2 0 327.513 1.264 20 0 EDADRP C[C@H](CCNC(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000417996009 304444022 /nfs/dbraw/zinc/44/40/22/304444022.db2.gz BAMVZXHJYKEFNZ-MRXNPFEDSA-N 2 0 340.512 1.790 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418028226 304448516 /nfs/dbraw/zinc/44/85/16/304448516.db2.gz YCDRLBIDJMWQHF-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000418182093 304460723 /nfs/dbraw/zinc/46/07/23/304460723.db2.gz MDCFEJBLXDJWNO-NVXWUHKLSA-N 2 0 336.480 1.521 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCSCC1 ZINC000073976173 287266763 /nfs/dbraw/zinc/26/67/63/287266763.db2.gz WXOJBXPMLIHDMN-MRXNPFEDSA-N 2 0 342.553 1.940 20 0 EDADRP Cc1nc2c(cnn2C)c(N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000081010245 287310134 /nfs/dbraw/zinc/31/01/34/287310134.db2.gz DOZNZLHEJQPMOG-UHFFFAOYSA-N 2 0 333.484 1.382 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418323676 304479395 /nfs/dbraw/zinc/47/93/95/304479395.db2.gz UZZPWLXHJSADHN-LESCRADOSA-N 2 0 348.466 1.818 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)[C@@H](C)C2)C1 ZINC000122946512 222188198 /nfs/dbraw/zinc/18/81/98/222188198.db2.gz YJIOQAQYPOGSIO-IXDOHACOSA-N 2 0 325.497 1.437 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000418388585 304489684 /nfs/dbraw/zinc/48/96/84/304489684.db2.gz QIGHUWXRAKDJLR-MRXNPFEDSA-N 2 0 328.501 1.502 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc12 ZINC000171589139 227159676 /nfs/dbraw/zinc/15/96/76/227159676.db2.gz NKCBFYAUTWYBJO-CQSZACIVSA-N 2 0 345.491 1.801 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000418498958 304504030 /nfs/dbraw/zinc/50/40/30/304504030.db2.gz NHIKYZFHTUEHCU-CPUCHLNUSA-N 2 0 338.496 1.255 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000237052996 273007191 /nfs/dbraw/zinc/00/71/91/273007191.db2.gz HOMYMZKAAOJIHL-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CSCN2)[C@@H]1c1cccs1 ZINC000237117292 273007870 /nfs/dbraw/zinc/00/78/70/273007870.db2.gz BUUPWSFGWKWKKM-OUCADQQQSA-N 2 0 325.503 1.910 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C(C)(C)C[NH+](C)C ZINC000085361827 267414573 /nfs/dbraw/zinc/41/45/73/267414573.db2.gz FWMTZCNEBJEQSL-CQSZACIVSA-N 2 0 328.501 1.373 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1csc(C(C)(C)C)n1 ZINC000103213327 272918855 /nfs/dbraw/zinc/91/88/55/272918855.db2.gz AKYGPDHJFGWDLC-UHFFFAOYSA-N 2 0 340.537 1.935 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCCO ZINC000276341220 273161225 /nfs/dbraw/zinc/16/12/25/273161225.db2.gz HCGDPHNXLDKKSS-SJLPKXTDSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C3CC3)cn2)CC1 ZINC000279838997 273332485 /nfs/dbraw/zinc/33/24/85/273332485.db2.gz ZRVQEOGGVNNMQX-QGZVFWFLSA-N 2 0 343.475 1.076 20 0 EDADRP Cc1nccc(N2CCN(C(=O)C3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000280061146 273341343 /nfs/dbraw/zinc/34/13/43/273341343.db2.gz AYXLLMISFREHID-UHFFFAOYSA-N 2 0 329.448 1.308 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)[NH+](C)C)c1 ZINC000280926443 273415935 /nfs/dbraw/zinc/41/59/35/273415935.db2.gz UNSWSDPRUNEGCY-SUMDDJOVSA-N 2 0 331.460 1.804 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O)c1ccccc1 ZINC000249416249 287799084 /nfs/dbraw/zinc/79/90/84/287799084.db2.gz ZJKDXNWGBYRJJY-BRWVUGGUSA-N 2 0 346.475 1.039 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCn3ncc(C(N)=O)c3C2)CC1 ZINC000364665810 275512632 /nfs/dbraw/zinc/51/26/32/275512632.db2.gz UBOOFSDXHHQGAQ-ZDUSSCGKSA-N 2 0 333.480 1.397 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000337290006 275949687 /nfs/dbraw/zinc/94/96/87/275949687.db2.gz CMVOLUUAMFBOMN-UHFFFAOYSA-N 2 0 337.430 1.792 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000339944502 276107631 /nfs/dbraw/zinc/10/76/31/276107631.db2.gz BRPXJGQWZVWVSD-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458382308 276160616 /nfs/dbraw/zinc/16/06/16/276160616.db2.gz RAYSWDJFVIMDMQ-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000339581103 276326731 /nfs/dbraw/zinc/32/67/31/276326731.db2.gz KYWDIGKKJXDIKI-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000133369889 276775857 /nfs/dbraw/zinc/77/58/57/276775857.db2.gz MEJCQHBYMXZJOK-CABCVRRESA-N 2 0 325.453 1.640 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)N2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000417026811 277104998 /nfs/dbraw/zinc/10/49/98/277104998.db2.gz SPJPWGJHRGDNPG-MSOLQXFVSA-N 2 0 345.491 1.108 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000367604404 277170870 /nfs/dbraw/zinc/17/08/70/277170870.db2.gz BKJOBTKLLRGFCC-SQNIBIBYSA-N 2 0 344.507 1.061 20 0 EDADRP CC[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000286468205 288013069 /nfs/dbraw/zinc/01/30/69/288013069.db2.gz KSAXSVRFGSFMRD-AEFFLSMTSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000286532524 288028800 /nfs/dbraw/zinc/02/88/00/288028800.db2.gz SZPGJKKCFAWJFE-HXUWFJFHSA-N 2 0 346.519 1.461 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333486743 278226946 /nfs/dbraw/zinc/22/69/46/278226946.db2.gz CUKKYMBTGHBEQI-OTBWCIGPSA-N 2 0 337.512 1.114 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415421745 278246245 /nfs/dbraw/zinc/24/62/45/278246245.db2.gz VIRWBNWGSOBJKD-ZDUSSCGKSA-N 2 0 332.448 1.067 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCOC1 ZINC000356845945 278343894 /nfs/dbraw/zinc/34/38/94/278343894.db2.gz ISIHNFNJZLGRFX-MSOLQXFVSA-N 2 0 347.507 1.784 20 0 EDADRP CC[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1(C(=O)OC)CCC1 ZINC000361107506 288090175 /nfs/dbraw/zinc/09/01/75/288090175.db2.gz PYZXMBVVCORLOE-RDJZCZTQSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000360134294 279374922 /nfs/dbraw/zinc/37/49/22/279374922.db2.gz GCBQPPVUZKDUAF-INIZCTEOSA-N 2 0 335.496 1.884 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C3([NH3+])CCCC3)CC2)C[C@@H](C)O1 ZINC000237400536 288156375 /nfs/dbraw/zinc/15/63/75/288156375.db2.gz HSPLCFHGTIPXGK-HZPDHXFCSA-N 2 0 337.508 1.996 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000659980108 452888631 /nfs/dbraw/zinc/88/86/31/452888631.db2.gz QPQXZASMVGOLQU-KZNAEPCWSA-N 2 0 327.513 1.528 20 0 EDADRP CC[NH+]1CCC(N(C)Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000659983605 452890447 /nfs/dbraw/zinc/89/04/47/452890447.db2.gz QVODQJQCNYGWSM-UHFFFAOYSA-N 2 0 325.478 1.511 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000287926673 288358461 /nfs/dbraw/zinc/35/84/61/288358461.db2.gz DJIGCSNPLMPXHE-ZDUSSCGKSA-N 2 0 342.434 1.988 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(CCF)CC1 ZINC000290749544 288947352 /nfs/dbraw/zinc/94/73/52/288947352.db2.gz YOYQPSJXLBHKRU-UHFFFAOYSA-N 2 0 334.439 1.850 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000420809170 289046245 /nfs/dbraw/zinc/04/62/45/289046245.db2.gz YNTMBQRFNVWQGK-SFHVURJKSA-N 2 0 344.503 1.821 20 0 EDADRP C[C@@H](C[NH2+]Cc1cnnn1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000291993138 289234243 /nfs/dbraw/zinc/23/42/43/289234243.db2.gz UCISRRVQABSGQV-KRWDZBQOSA-N 2 0 342.491 1.300 20 0 EDADRP COc1ccc(NC(=O)NC(=O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292043975 289246902 /nfs/dbraw/zinc/24/69/02/289246902.db2.gz AXHVYTIWELRVHE-GOSISDBHSA-N 2 0 346.431 1.371 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050451 289249222 /nfs/dbraw/zinc/24/92/22/289249222.db2.gz BMAIWJLYYNUODI-AZUAARDMSA-N 2 0 344.503 1.433 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292148389 289273259 /nfs/dbraw/zinc/27/32/59/289273259.db2.gz UAPZVLMQWOJFCP-ROUUACIJSA-N 2 0 344.503 1.846 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000183212064 289298103 /nfs/dbraw/zinc/29/81/03/289298103.db2.gz XYFBTPASLDVVAP-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342142733 289334026 /nfs/dbraw/zinc/33/40/26/289334026.db2.gz WBBKOUWVUOLYSX-OCVGTWLNSA-N 2 0 336.480 1.593 20 0 EDADRP COC[C@@H]1CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000292896058 289466483 /nfs/dbraw/zinc/46/64/83/289466483.db2.gz BMRSJJCQVDKUCQ-KRWDZBQOSA-N 2 0 347.463 1.024 20 0 EDADRP [NH3+]CC1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000333933705 295224292 /nfs/dbraw/zinc/22/42/92/295224292.db2.gz HXYHOUWSXHBIQI-UHFFFAOYSA-N 2 0 340.537 1.728 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418544157 304510675 /nfs/dbraw/zinc/51/06/75/304510675.db2.gz UFVZIPPMAMJCSX-UHFFFAOYSA-N 2 0 334.439 1.819 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418571961 304514065 /nfs/dbraw/zinc/51/40/65/304514065.db2.gz KCHMZUXLEGQNKE-CRAIPNDOSA-N 2 0 348.491 1.766 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000418601747 304517255 /nfs/dbraw/zinc/51/72/55/304517255.db2.gz LXSJDPDWIISYPU-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000368104322 304537313 /nfs/dbraw/zinc/53/73/13/304537313.db2.gz DYIIFOWRZHMALD-IBGZPJMESA-N 2 0 327.472 1.837 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894313 304545390 /nfs/dbraw/zinc/54/53/90/304545390.db2.gz AUZSNYLAIAVCAY-UHFFFAOYSA-N 2 0 340.512 1.391 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])c1ccccc1 ZINC000419644496 304649418 /nfs/dbraw/zinc/64/94/18/304649418.db2.gz HJLUKJQSLYFGLZ-GOEBONIOSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419733986 304674824 /nfs/dbraw/zinc/67/48/24/304674824.db2.gz URBWQRPYBHQEHB-GJZGRUSLSA-N 2 0 346.475 1.134 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420376726 304753608 /nfs/dbraw/zinc/75/36/08/304753608.db2.gz KDUVPWXWHZJMQH-XIRDDKMYSA-N 2 0 341.496 1.136 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000458355543 447320787 /nfs/dbraw/zinc/32/07/87/447320787.db2.gz CWFUMDFUGNKKAH-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000414750175 447321339 /nfs/dbraw/zinc/32/13/39/447321339.db2.gz KXWNAODAZFHDTP-HUUCEWRRSA-N 2 0 333.480 1.994 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000414752541 447321949 /nfs/dbraw/zinc/32/19/49/447321949.db2.gz UOYRWBMDDCPCED-UHFFFAOYSA-N 2 0 340.556 1.791 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000419656151 447325682 /nfs/dbraw/zinc/32/56/82/447325682.db2.gz IIRXHWVDISAQER-BFYDXBDKSA-N 2 0 346.475 1.009 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC000294728752 303140008 /nfs/dbraw/zinc/14/00/08/303140008.db2.gz DDDBZUGLOYFHFL-SJORKVTESA-N 2 0 326.444 1.672 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)ccc21 ZINC000295176500 303184346 /nfs/dbraw/zinc/18/43/46/303184346.db2.gz MDBAKRWSPXZMAG-SJORKVTESA-N 2 0 326.444 1.957 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3C)C2)CC1 ZINC000295280278 303199020 /nfs/dbraw/zinc/19/90/20/303199020.db2.gz WIQHJCSAXITVQJ-WMZOPIPTSA-N 2 0 330.476 1.233 20 0 EDADRP COc1nccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)n1 ZINC000295586065 303238085 /nfs/dbraw/zinc/23/80/85/303238085.db2.gz DWTRTKADZINJLH-AEFFLSMTSA-N 2 0 342.443 1.458 20 0 EDADRP COc1nccc(CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000295586069 303238132 /nfs/dbraw/zinc/23/81/32/303238132.db2.gz DWTRTKADZINJLH-FUHWJXTLSA-N 2 0 342.443 1.458 20 0 EDADRP CSC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000296028970 303290092 /nfs/dbraw/zinc/29/00/92/303290092.db2.gz RXCRUETZULECAV-GJZGRUSLSA-N 2 0 337.489 1.859 20 0 EDADRP C[C@@H]1[C@H](O)CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296412295 303314622 /nfs/dbraw/zinc/31/46/22/303314622.db2.gz VGBLFQKDGQHZHU-VQIMIIECSA-N 2 0 345.487 1.744 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000418734601 303457291 /nfs/dbraw/zinc/45/72/91/303457291.db2.gz VVJYEKMGPUFCAI-IAGOWNOFSA-N 2 0 338.496 1.258 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000419670525 447335442 /nfs/dbraw/zinc/33/54/42/447335442.db2.gz WVSGJIQGPGWASF-JKSUJKDBSA-N 2 0 340.512 1.055 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390884381 303850109 /nfs/dbraw/zinc/85/01/09/303850109.db2.gz VDODGLIGALKYCA-UYAOXDASSA-N 2 0 346.519 1.161 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)CC[NH2+]CC1 ZINC000423117160 304887331 /nfs/dbraw/zinc/88/73/31/304887331.db2.gz UCHOTDXBVNUKRG-HIFRSBDPSA-N 2 0 334.464 1.709 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423328142 304892540 /nfs/dbraw/zinc/89/25/40/304892540.db2.gz SCQZAOQCJXDDIT-LSDHHAIUSA-N 2 0 333.480 1.443 20 0 EDADRP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423336444 304893256 /nfs/dbraw/zinc/89/32/56/304893256.db2.gz SSYSVCXTJFAJHW-PBHICJAKSA-N 2 0 339.505 1.977 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423411775 304894745 /nfs/dbraw/zinc/89/47/45/304894745.db2.gz VFMQHDGBQLAUOT-APWZRJJASA-N 2 0 329.444 1.529 20 0 EDADRP COCC1(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC[NH2+]CC1 ZINC000423411419 304894820 /nfs/dbraw/zinc/89/48/20/304894820.db2.gz ULZYVDKEUYHOJF-HNNXBMFYSA-N 2 0 329.448 1.934 20 0 EDADRP C[C@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000424011430 304925036 /nfs/dbraw/zinc/92/50/36/304925036.db2.gz YWUZRFVAWOQFRG-QFBILLFUSA-N 2 0 344.503 1.491 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000430569543 305056460 /nfs/dbraw/zinc/05/64/60/305056460.db2.gz LOSFJPKJMRDFCD-MRXNPFEDSA-N 2 0 343.493 1.279 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652887 305061403 /nfs/dbraw/zinc/06/14/03/305061403.db2.gz XXHDAEHXWBWVHF-SQNIBIBYSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652885 305061417 /nfs/dbraw/zinc/06/14/17/305061417.db2.gz XXHDAEHXWBWVHF-KURKYZTESA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000430718727 305063148 /nfs/dbraw/zinc/06/31/48/305063148.db2.gz HLJCSQYDPUDVHC-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP Cc1cc(NC(=O)C[NH2+]C[C@@H]2CCCO2)n(C2CC[NH+](C)CC2)n1 ZINC000430816437 305065209 /nfs/dbraw/zinc/06/52/09/305065209.db2.gz MISCVXABKISRFC-HNNXBMFYSA-N 2 0 335.452 1.165 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430879396 305066698 /nfs/dbraw/zinc/06/66/98/305066698.db2.gz NYRONWAMNSJOLA-HIFRSBDPSA-N 2 0 332.448 1.178 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000430913387 305067667 /nfs/dbraw/zinc/06/76/67/305067667.db2.gz USITYESXUARKNP-BZSNNMDCSA-N 2 0 333.476 1.940 20 0 EDADRP CCOc1ccc(OCCNC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430920194 305068085 /nfs/dbraw/zinc/06/80/85/305068085.db2.gz UJCFHOWLIUJWMT-HNNXBMFYSA-N 2 0 349.475 1.640 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1 ZINC000430933515 305069125 /nfs/dbraw/zinc/06/91/25/305069125.db2.gz LEQBLRJXBMXHFO-AWEZNQCLSA-N 2 0 337.439 1.770 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000430938142 305069450 /nfs/dbraw/zinc/06/94/50/305069450.db2.gz ANIRSSUJMZSQDR-LLVKDONJSA-N 2 0 348.403 1.123 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCCOc2cccc(C)c2)CC1 ZINC000430947949 305069918 /nfs/dbraw/zinc/06/99/18/305069918.db2.gz GIWJSFIVLPHCOK-UHFFFAOYSA-N 2 0 333.476 1.812 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC[C@H]1COc2ccccc2O1 ZINC000431029121 305073102 /nfs/dbraw/zinc/07/31/02/305073102.db2.gz YCNXWSSGURCXLD-HNNXBMFYSA-N 2 0 345.443 1.018 20 0 EDADRP COC(=O)[C@@H]1CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594248 305080264 /nfs/dbraw/zinc/08/02/64/305080264.db2.gz FFCSQWUTOHOBOD-XHSDSOJGSA-N 2 0 340.464 1.535 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@@H+]1C ZINC000433411719 305108456 /nfs/dbraw/zinc/10/84/56/305108456.db2.gz QWECWKRQLOKIBT-PMPSAXMXSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000433418462 305108740 /nfs/dbraw/zinc/10/87/40/305108740.db2.gz ABDJOQOZTQIXCZ-XJKSGUPXSA-N 2 0 327.432 1.757 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)ccn1 ZINC000434446980 305122756 /nfs/dbraw/zinc/12/27/56/305122756.db2.gz SFNQHYQVHXKHEM-KRWDZBQOSA-N 2 0 346.475 1.769 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000434634856 305125606 /nfs/dbraw/zinc/12/56/06/305125606.db2.gz CXZGJOFZVYJFMU-SFHVURJKSA-N 2 0 327.513 1.264 20 0 EDADRP CCC[N@H+](C)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435576932 305142857 /nfs/dbraw/zinc/14/28/57/305142857.db2.gz XSDIHLYSQUBHQT-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436058577 305151630 /nfs/dbraw/zinc/15/16/30/305151630.db2.gz ZBVABSKQIRLIQQ-KRWDZBQOSA-N 2 0 346.475 1.208 20 0 EDADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436057490 305151716 /nfs/dbraw/zinc/15/17/16/305151716.db2.gz GNUJFCFMKGCAOR-KRWDZBQOSA-N 2 0 332.448 1.465 20 0 EDADRP COC(=O)CC1(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CC1 ZINC000440785902 305212764 /nfs/dbraw/zinc/21/27/64/305212764.db2.gz LTNWUSYYURSWEV-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760895 305229765 /nfs/dbraw/zinc/22/97/65/305229765.db2.gz AUKHAPKLFLAJHE-GJZGRUSLSA-N 2 0 344.459 1.811 20 0 EDADRP C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)nc2ccccc21)[NH+](C)C ZINC000443426179 305238246 /nfs/dbraw/zinc/23/82/46/305238246.db2.gz JJFUGJYFVBDDHV-KGLIPLIRSA-N 2 0 330.480 1.198 20 0 EDADRP CC[NH+]1C[C@H](C)N(C[C@@H](O)CN2C[C@H](C)[N@H+](CC)C[C@H]2C)C[C@H]1C ZINC000447316137 305278204 /nfs/dbraw/zinc/27/82/04/305278204.db2.gz WECARWZHNXHBFB-YANVKFGNSA-N 2 0 340.556 1.176 20 0 EDADRP C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447844501 305286965 /nfs/dbraw/zinc/28/69/65/305286965.db2.gz QKFIRFTXEVPNKT-LTFXXXRZSA-N 2 0 342.524 1.598 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090285 305306252 /nfs/dbraw/zinc/30/62/52/305306252.db2.gz GISKUNWPQWOZFP-HOCLYGCPSA-N 2 0 340.489 1.240 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+]2CCCC2)c1 ZINC000449312836 305311154 /nfs/dbraw/zinc/31/11/54/305311154.db2.gz SEZOLZCSIPJHOD-OLMNPRSZSA-N 2 0 331.460 1.804 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449349920 305312285 /nfs/dbraw/zinc/31/22/85/305312285.db2.gz SBUKNYUTTJFENI-HOCLYGCPSA-N 2 0 325.497 1.900 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCCC(C)(C)C)CC1 ZINC000451978707 305375885 /nfs/dbraw/zinc/37/58/85/305375885.db2.gz FYPLAWABEPVKCQ-UHFFFAOYSA-N 2 0 326.529 1.545 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000453059199 305404744 /nfs/dbraw/zinc/40/47/44/305404744.db2.gz LYQPMNNLGMXLRW-DOTOQJQBSA-N 2 0 333.476 1.614 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414908635 447353898 /nfs/dbraw/zinc/35/38/98/447353898.db2.gz QKSPYVLKFRBBIX-AWEZNQCLSA-N 2 0 332.448 1.145 20 0 EDADRP O[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)COc1ccc(F)cc1 ZINC000425902423 447354759 /nfs/dbraw/zinc/35/47/59/447354759.db2.gz SJXNZQHDHKZSSW-OAHLLOKOSA-N 2 0 349.406 1.810 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000458416227 447355363 /nfs/dbraw/zinc/35/53/63/447355363.db2.gz DTEVOMQTYFUPEQ-DOTOQJQBSA-N 2 0 338.496 1.149 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000414925019 447358841 /nfs/dbraw/zinc/35/88/41/447358841.db2.gz JEVCQTQTTMFLMD-INIZCTEOSA-N 2 0 344.459 1.431 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414922030 447357736 /nfs/dbraw/zinc/35/77/36/447357736.db2.gz GCDWOZOGYGKKDM-CZUORRHYSA-N 2 0 332.448 1.588 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc(F)c(F)c1 ZINC000526046646 305833150 /nfs/dbraw/zinc/83/31/50/305833150.db2.gz MUFHWXRYRGJZSG-UHFFFAOYSA-N 2 0 342.434 1.642 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000422133155 447364467 /nfs/dbraw/zinc/36/44/67/447364467.db2.gz KWJPEFWBTNQDFI-HZPDHXFCSA-N 2 0 325.522 1.757 20 0 EDADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000535013495 306010553 /nfs/dbraw/zinc/01/05/53/306010553.db2.gz WXVXURWHYQLLFH-KZNAEPCWSA-N 2 0 325.497 1.140 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538650238 306031309 /nfs/dbraw/zinc/03/13/09/306031309.db2.gz PKSZVMZVWGXPBA-GOSISDBHSA-N 2 0 333.476 1.593 20 0 EDADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)C1(C(=O)OC)CCC1 ZINC000541849769 306047934 /nfs/dbraw/zinc/04/79/34/306047934.db2.gz WSLNLZGCEIKIDE-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000548102791 306119937 /nfs/dbraw/zinc/11/99/37/306119937.db2.gz FXOVEBFKEHKNAN-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc2c(F)cccc2c1 ZINC000550721228 306153924 /nfs/dbraw/zinc/15/39/24/306153924.db2.gz KQJLNPIFLIBPNZ-UHFFFAOYSA-N 2 0 332.423 1.939 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000556849986 306219942 /nfs/dbraw/zinc/21/99/42/306219942.db2.gz NJAVOKIIUUZQEQ-UYAOXDASSA-N 2 0 345.487 1.642 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000556850433 306220109 /nfs/dbraw/zinc/22/01/09/306220109.db2.gz ALSXPVRXZRFXRM-FQEVSTJZSA-N 2 0 345.487 1.715 20 0 EDADRP CC1(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]CC1 ZINC000557136070 306224918 /nfs/dbraw/zinc/22/49/18/306224918.db2.gz XUYDYJUDGHBSTD-UHFFFAOYSA-N 2 0 338.496 1.463 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000419714677 447368128 /nfs/dbraw/zinc/36/81/28/447368128.db2.gz OGROZLDHGDZQQI-HNNXBMFYSA-N 2 0 338.496 1.145 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H]1CCOC2(CCC2)C1)C(=O)NCC[NH+](C)C ZINC000449208343 447370317 /nfs/dbraw/zinc/37/03/17/447370317.db2.gz SHDRKGJZWWVQSI-HOTGVXAUSA-N 2 0 325.497 1.770 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNCc1ccc(OCc2ccncc2)cc1 ZINC000414959466 447373773 /nfs/dbraw/zinc/37/37/73/447373773.db2.gz FQNBLBZQNMFZBZ-GOSISDBHSA-N 2 0 326.444 1.654 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041721 447383626 /nfs/dbraw/zinc/38/36/26/447383626.db2.gz HCLVUEFWKHZNTE-FMKPAKJESA-N 2 0 345.553 1.897 20 0 EDADRP CC[C@@H]([NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414980540 447383804 /nfs/dbraw/zinc/38/38/04/447383804.db2.gz AJRDMXHMJPXTSS-CQSZACIVSA-N 2 0 325.478 1.475 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414980750 447382782 /nfs/dbraw/zinc/38/27/82/447382782.db2.gz WOVCTNWXIQMIHQ-NXEWRWPSSA-N 2 0 328.504 1.675 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000449708781 447389022 /nfs/dbraw/zinc/38/90/22/447389022.db2.gz WNMSARQHHBHFIM-SFHVURJKSA-N 2 0 344.503 1.946 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000378207566 447407726 /nfs/dbraw/zinc/40/77/26/447407726.db2.gz SOHUQZJGYXBACF-CEXWTWQISA-N 2 0 344.503 1.609 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415421004 447418933 /nfs/dbraw/zinc/41/89/33/447418933.db2.gz UMBQYASDUTYHTJ-LSDHHAIUSA-N 2 0 346.475 1.663 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)CCCCC1 ZINC000419808997 447426209 /nfs/dbraw/zinc/42/62/09/447426209.db2.gz HABHTYKPSGZJLD-HNNXBMFYSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2CC[NH+](C)CC2)cc1 ZINC000105113796 441234371 /nfs/dbraw/zinc/23/43/71/441234371.db2.gz CQUINMHKTDDANG-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880118 441218316 /nfs/dbraw/zinc/21/83/16/441218316.db2.gz WWSKVTHPNXSHDT-RDJZCZTQSA-N 2 0 344.459 1.417 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000047683916 441219431 /nfs/dbraw/zinc/21/94/31/441219431.db2.gz XLQQLURWPUZGCS-CALCHBBNSA-N 2 0 342.528 1.904 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000072996474 441284163 /nfs/dbraw/zinc/28/41/63/441284163.db2.gz OIMXMWLFUAJRBA-IBGZPJMESA-N 2 0 344.503 1.655 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000415438083 447439898 /nfs/dbraw/zinc/43/98/98/447439898.db2.gz LNYFPIATNAUXJT-UKRRQHHQSA-N 2 0 348.447 1.110 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000063744205 441348780 /nfs/dbraw/zinc/34/87/80/441348780.db2.gz WRTFHXUGGZQHAB-LJQANCHMSA-N 2 0 347.503 1.983 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000074498941 441440791 /nfs/dbraw/zinc/44/07/91/441440791.db2.gz KBTLWEMKZKIEQS-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000075021862 441487605 /nfs/dbraw/zinc/48/76/05/441487605.db2.gz FNDRLKMTVQPLJE-BRWVUGGUSA-N 2 0 325.497 1.580 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)Cc2ccco2)CC1 ZINC000088348468 441504455 /nfs/dbraw/zinc/50/44/55/441504455.db2.gz DDMVVOLKHVDOCB-UHFFFAOYSA-N 2 0 336.480 1.197 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC000114022254 441631061 /nfs/dbraw/zinc/63/10/61/441631061.db2.gz OYVLKDXMUGLQPT-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000136966131 441734545 /nfs/dbraw/zinc/73/45/45/441734545.db2.gz YYFJWRFPANRSQO-RDJZCZTQSA-N 2 0 345.491 1.888 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000121626050 441744692 /nfs/dbraw/zinc/74/46/92/441744692.db2.gz AACJOKKPKDRRDQ-WMZOPIPTSA-N 2 0 342.528 1.355 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000139528542 441820357 /nfs/dbraw/zinc/82/03/57/441820357.db2.gz PCCUBLHMFBFSPI-QGZVFWFLSA-N 2 0 331.464 1.439 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068514942 441810433 /nfs/dbraw/zinc/81/04/33/441810433.db2.gz CWRJACVTZCDTPD-HNNXBMFYSA-N 2 0 333.480 1.294 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000173966195 441871382 /nfs/dbraw/zinc/87/13/82/441871382.db2.gz IFAYJPMJAMFWOL-UHFFFAOYSA-N 2 0 344.503 1.392 20 0 EDADRP CC(=O)Nc1ccc(NC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139815518 441827620 /nfs/dbraw/zinc/82/76/20/441827620.db2.gz LEAAMGGDEFZTHZ-QAPCUYQASA-N 2 0 344.459 2.000 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2ccccc2n1 ZINC000077830293 441873382 /nfs/dbraw/zinc/87/33/82/441873382.db2.gz HHICGZHJXBYXKP-UHFFFAOYSA-N 2 0 343.475 1.870 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]C2CCOCC2)cc1 ZINC000174408621 441922418 /nfs/dbraw/zinc/92/24/18/441922418.db2.gz VRXZCJBCFSUQCZ-UHFFFAOYSA-N 2 0 331.460 1.781 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000150750544 441943072 /nfs/dbraw/zinc/94/30/72/441943072.db2.gz QFRVRCCFEYCZRM-KRWDZBQOSA-N 2 0 325.497 1.583 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000151173244 442019309 /nfs/dbraw/zinc/01/93/09/442019309.db2.gz LYAIJOCRUHGIFO-UHFFFAOYSA-N 2 0 348.491 1.346 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175608085 442092573 /nfs/dbraw/zinc/09/25/73/442092573.db2.gz HPDWFZAQVSJQPT-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000151432754 442061364 /nfs/dbraw/zinc/06/13/64/442061364.db2.gz QNEIFQJADVUBFH-HOCLYGCPSA-N 2 0 325.478 1.351 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C(C)(C)C3)cc2)CC1 ZINC000175443325 442065029 /nfs/dbraw/zinc/06/50/29/442065029.db2.gz ZDBYRUGNIWALMA-UHFFFAOYSA-N 2 0 330.476 1.653 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[N@H+](C)CCCn2ccnc2)c1 ZINC000162306988 442081908 /nfs/dbraw/zinc/08/19/08/442081908.db2.gz OYYXTJKGTFYJLN-UHFFFAOYSA-N 2 0 336.461 1.656 20 0 EDADRP CC[N@H+](CC(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1)C1CC1 ZINC000151796087 442121372 /nfs/dbraw/zinc/12/13/72/442121372.db2.gz LUMOLSGPZASKJF-UHFFFAOYSA-N 2 0 332.448 2.000 20 0 EDADRP CCO[C@@H]1C[C@@H]([N@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121138261 442181712 /nfs/dbraw/zinc/18/17/12/442181712.db2.gz DPGLYICQZAVNPP-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000176147247 442182814 /nfs/dbraw/zinc/18/28/14/442182814.db2.gz VQHZZYFXZHCLSQ-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000163225669 442151878 /nfs/dbraw/zinc/15/18/78/442151878.db2.gz IGHDCHBKAZRAKE-UHFFFAOYSA-N 2 0 332.448 1.241 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000152890885 442250264 /nfs/dbraw/zinc/25/02/64/442250264.db2.gz LXPSRBPKWMLOGC-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP C[N@H+](CCC(=O)Nc1sccc1C(N)=O)C[C@@H]1CCC[NH+](C)C1 ZINC000152420552 442211009 /nfs/dbraw/zinc/21/10/09/442211009.db2.gz HCXKZOSCQXYSGH-GFCCVEGCSA-N 2 0 338.477 1.449 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000168718647 442224720 /nfs/dbraw/zinc/22/47/20/442224720.db2.gz PJBURYBIAFLLGX-HNNXBMFYSA-N 2 0 332.473 1.970 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1)C(C)C ZINC000152665478 442235678 /nfs/dbraw/zinc/23/56/78/442235678.db2.gz OAKRJYYZLOSLQZ-LJQANCHMSA-N 2 0 335.492 1.959 20 0 EDADRP CC[C@H]1CN(CC(=O)NC2CC[NH+](CC)CC2)CCN1CC(F)F ZINC000153393118 442279878 /nfs/dbraw/zinc/27/98/78/442279878.db2.gz JUVYLZBCUSUSKW-HNNXBMFYSA-N 2 0 346.466 1.248 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000177129368 442301772 /nfs/dbraw/zinc/30/17/72/442301772.db2.gz BAULTQYWWWXMNB-LJQANCHMSA-N 2 0 346.519 1.822 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000171189349 442325153 /nfs/dbraw/zinc/32/51/53/442325153.db2.gz JWFBKTNZDMQMBU-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000171199391 442326333 /nfs/dbraw/zinc/32/63/33/442326333.db2.gz AUJOWSDFNFRCMH-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CN1CCC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC1 ZINC000177318218 442328180 /nfs/dbraw/zinc/32/81/80/442328180.db2.gz DFMVCIGYQBRMRY-GOSISDBHSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000171105051 442312892 /nfs/dbraw/zinc/31/28/92/442312892.db2.gz MTLPLPBUXASPKT-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](Cc1ccccc1F)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000153992918 442315403 /nfs/dbraw/zinc/31/54/03/442315403.db2.gz WTWKCBAEQNPEIW-OAHLLOKOSA-N 2 0 338.471 1.892 20 0 EDADRP C[N@H+](CCNC(=O)NCCN1CCOCC1(C)C)C1CCCC1 ZINC000171686829 442370351 /nfs/dbraw/zinc/37/03/51/442370351.db2.gz YPQTWEQBNHHZSL-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccn(CC(F)F)n1 ZINC000132722620 442399108 /nfs/dbraw/zinc/39/91/08/442399108.db2.gz MTUYZLGFEHICQR-UHFFFAOYSA-N 2 0 332.399 1.105 20 0 EDADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)nc1 ZINC000134344408 442471870 /nfs/dbraw/zinc/47/18/70/442471870.db2.gz MXQGZKYMQNHUMK-UHFFFAOYSA-N 2 0 326.444 1.971 20 0 EDADRP Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C(C)(C)C)n1 ZINC000179892543 442516388 /nfs/dbraw/zinc/51/63/88/442516388.db2.gz KHQWAQGJTFMYAI-UHFFFAOYSA-N 2 0 349.523 1.607 20 0 EDADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000186581608 442566722 /nfs/dbraw/zinc/56/67/22/442566722.db2.gz VCWPTFIJGRJBTN-ZWKOTPCHSA-N 2 0 338.540 1.783 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000186988591 442641293 /nfs/dbraw/zinc/64/12/93/442641293.db2.gz JOVHAJLAPGFBAC-INIZCTEOSA-N 2 0 342.528 1.592 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@@H]1O ZINC000186789803 442612123 /nfs/dbraw/zinc/61/21/23/442612123.db2.gz SXSBGXFAIDQHQB-LPHOPBHVSA-N 2 0 345.487 1.601 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192522753 442657088 /nfs/dbraw/zinc/65/70/88/442657088.db2.gz OYXVPDBNLUGHCV-LJQANCHMSA-N 2 0 332.492 1.250 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000187886350 442696305 /nfs/dbraw/zinc/69/63/05/442696305.db2.gz YBTUBBJCGNUXPA-RCCFBDPRSA-N 2 0 347.459 1.325 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000187345124 442671174 /nfs/dbraw/zinc/67/11/74/442671174.db2.gz KCKUNUDKWVYTIJ-OAHLLOKOSA-N 2 0 336.484 1.831 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188181633 442721294 /nfs/dbraw/zinc/72/12/94/442721294.db2.gz OMMIKSURQGTUPP-QGZVFWFLSA-N 2 0 341.459 1.868 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000188181941 442721349 /nfs/dbraw/zinc/72/13/49/442721349.db2.gz DCDNYXVGKULXPY-UHFFFAOYSA-N 2 0 339.443 1.404 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000265522435 442807790 /nfs/dbraw/zinc/80/77/90/442807790.db2.gz SZFWJEPKMXVCKO-FUHWJXTLSA-N 2 0 349.475 1.658 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)[C@@H](C)C1 ZINC000246395859 442779076 /nfs/dbraw/zinc/77/90/76/442779076.db2.gz JPEBXSWDIRIZDJ-DOTOQJQBSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000247047187 442831008 /nfs/dbraw/zinc/83/10/08/442831008.db2.gz SGTFYXCUZVGQNF-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000247370879 442850154 /nfs/dbraw/zinc/85/01/54/442850154.db2.gz FBAPDAGMZIAFLE-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000247812261 442868573 /nfs/dbraw/zinc/86/85/73/442868573.db2.gz VFMXBQOTYHHNIO-ZACQAIPSSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1[NH+](C)C ZINC000268321426 442946249 /nfs/dbraw/zinc/94/62/49/442946249.db2.gz BZLLGNCJIIXRJL-QAPCUYQASA-N 2 0 345.491 1.638 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[NH+](C)C ZINC000268894593 443140141 /nfs/dbraw/zinc/14/01/41/443140141.db2.gz JYOZFMZXXPHKNG-MRXNPFEDSA-N 2 0 333.480 1.891 20 0 EDADRP C[C@H]1C[C@@H](NCCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000268805313 443113898 /nfs/dbraw/zinc/11/38/98/443113898.db2.gz MALSHVIZGJPTPU-HOCLYGCPSA-N 2 0 325.478 1.178 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000266646011 443196248 /nfs/dbraw/zinc/19/62/48/443196248.db2.gz VEBCQWVRXOIOIR-UHFFFAOYSA-N 2 0 328.416 1.815 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)C[NH2+]C2CC2)CCOCC1)c1ccccc1 ZINC000237525053 443175463 /nfs/dbraw/zinc/17/54/63/443175463.db2.gz BKGYBMDKFQUTIO-HNNXBMFYSA-N 2 0 331.460 1.755 20 0 EDADRP O=C(CC[N@@H+](CCO)[C@H]1CCCc2ccccc21)N1CC[NH2+]CC1 ZINC000262142817 443183984 /nfs/dbraw/zinc/18/39/84/443183984.db2.gz OTNGXWCOUMGDPQ-SFHVURJKSA-N 2 0 331.460 1.180 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262422630 443194484 /nfs/dbraw/zinc/19/44/84/443194484.db2.gz RZJONQDYMZVEDK-TXPKVOOTSA-N 2 0 335.492 1.383 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc2)CC1 ZINC000236894879 443150586 /nfs/dbraw/zinc/15/05/86/443150586.db2.gz WSVJOBVSEUWNLT-IBGZPJMESA-N 2 0 332.492 1.932 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1cccc(OCC[NH+](C)C)c1 ZINC000268964011 443160671 /nfs/dbraw/zinc/16/06/71/443160671.db2.gz YASPCNNMSGRHTG-WMZOPIPTSA-N 2 0 334.508 1.523 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO ZINC000269124280 443205581 /nfs/dbraw/zinc/20/55/81/443205581.db2.gz UYCGRMDTOWTJLS-ZWKOTPCHSA-N 2 0 333.476 1.326 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc([C@H]3CCCN3C3CC3)n2)CC1 ZINC000350274455 319046688 /nfs/dbraw/zinc/04/66/88/319046688.db2.gz PJZPNYKUJATZTP-OAHLLOKOSA-N 2 0 347.463 1.464 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1ccccc1 ZINC000269243808 443247555 /nfs/dbraw/zinc/24/75/55/443247555.db2.gz CGLUUNBPYUFYCH-IBGZPJMESA-N 2 0 338.455 1.905 20 0 EDADRP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194010 319318971 /nfs/dbraw/zinc/31/89/71/319318971.db2.gz UHIIBYUHJBVXFL-AKHDSKFASA-N 2 0 341.459 1.424 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193388 319319203 /nfs/dbraw/zinc/31/92/03/319319203.db2.gz MRSQNYSIIIAROP-SQNIBIBYSA-N 3 0 338.540 1.101 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000269270729 443260676 /nfs/dbraw/zinc/26/06/76/443260676.db2.gz SDGBCKZBMRWRRI-HNNXBMFYSA-N 2 0 332.448 1.146 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414659738 319337965 /nfs/dbraw/zinc/33/79/65/319337965.db2.gz LQAOBQPVHBUQRC-CQSZACIVSA-N 2 0 332.448 1.465 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+](C)C ZINC000414683364 319341839 /nfs/dbraw/zinc/34/18/39/319341839.db2.gz SXKQXODOVXIBJU-XJKSGUPXSA-N 2 0 334.464 1.737 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccccc2)O1 ZINC000414689607 319342739 /nfs/dbraw/zinc/34/27/39/319342739.db2.gz LDPUTMFFQTZYER-NUJGCVRESA-N 2 0 331.460 1.646 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(OC3CCCCC3)CC2)C1 ZINC000414690769 319343162 /nfs/dbraw/zinc/34/31/62/319343162.db2.gz IJBKSKSZVRMHRI-MRXNPFEDSA-N 2 0 337.508 1.997 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000415219223 319352862 /nfs/dbraw/zinc/35/28/62/319352862.db2.gz MXZMTVUXRBBNFL-GRDNDAEWSA-N 2 0 344.459 1.730 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CCSC1 ZINC000416169822 319397164 /nfs/dbraw/zinc/39/71/64/319397164.db2.gz HGCRZUAUECSJHL-IBGZPJMESA-N 2 0 347.528 1.988 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000269313222 443278469 /nfs/dbraw/zinc/27/84/69/443278469.db2.gz XRAQJHPUHTZBBM-CABCVRRESA-N 2 0 346.475 1.903 20 0 EDADRP C[C@]1(C(N)=O)CCCC[NH+]1CCCC[N@H+]1CCCC[C@@]1(C)C(N)=O ZINC000185917478 443283182 /nfs/dbraw/zinc/28/31/82/443283182.db2.gz FBSNQAUHMMLDBQ-HDICACEKSA-N 2 0 338.496 1.226 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(Cc3ccccn3)CC2)CC1 ZINC000191402250 443290960 /nfs/dbraw/zinc/29/09/60/443290960.db2.gz IVGRAFNGGGRTEC-UHFFFAOYSA-N 2 0 345.535 1.615 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)Nc1cc(C)nn1C ZINC000191480748 443300512 /nfs/dbraw/zinc/30/05/12/443300512.db2.gz OJICPYPKHHMDRQ-UHFFFAOYSA-N 2 0 332.452 1.838 20 0 EDADRP COc1ccccc1C[N@H+](CCO)CCCN1CC[NH+](C(C)C)CC1 ZINC000191478111 443300527 /nfs/dbraw/zinc/30/05/27/443300527.db2.gz AANDMMNUZNRZQO-UHFFFAOYSA-N 2 0 349.519 1.906 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)c1 ZINC000416852735 319467191 /nfs/dbraw/zinc/46/71/91/319467191.db2.gz MWSWSQLGSFVYIV-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418586534 319506844 /nfs/dbraw/zinc/50/68/44/319506844.db2.gz FUGCRAIDDIMNTJ-MRXNPFEDSA-N 2 0 326.485 1.256 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc1)C(C)C ZINC000264700834 443381495 /nfs/dbraw/zinc/38/14/95/443381495.db2.gz DBGPDNDXBNAWIA-IBGZPJMESA-N 2 0 346.519 1.893 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419140979 319561551 /nfs/dbraw/zinc/56/15/51/319561551.db2.gz AACRGBXLDAYUSO-DOTOQJQBSA-N 2 0 346.475 1.102 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000264763495 443413267 /nfs/dbraw/zinc/41/32/67/443413267.db2.gz QPPLIUDUKWQAPZ-QZTJIDSGSA-N 2 0 328.460 1.751 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732136 443396472 /nfs/dbraw/zinc/39/64/72/443396472.db2.gz NFXBZMWMTQFINI-MSOLQXFVSA-N 2 0 347.507 1.143 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272654434 443398258 /nfs/dbraw/zinc/39/82/58/443398258.db2.gz LFZVPPHEOYLORG-IEBWSBKVSA-N 3 0 331.504 1.943 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)c1 ZINC000264760353 443411151 /nfs/dbraw/zinc/41/11/51/443411151.db2.gz LPQYIHFQVHVCBR-GOSISDBHSA-N 2 0 347.507 1.183 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)[NH+](C)C)cc1 ZINC000279021578 443493548 /nfs/dbraw/zinc/49/35/48/443493548.db2.gz ORBMBARAWZLBRE-MAUKXSAKSA-N 2 0 341.459 1.828 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000422739426 319735955 /nfs/dbraw/zinc/73/59/55/319735955.db2.gz LGABGJWJSPMEDA-UONOGXRCSA-N 2 0 327.494 1.730 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000423185485 319755156 /nfs/dbraw/zinc/75/51/56/319755156.db2.gz NRIYTGYAZRTCRJ-RBUKOAKNSA-N 3 0 344.503 1.601 20 0 EDADRP COc1cc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)ccc1OC(F)F ZINC000423199032 319756077 /nfs/dbraw/zinc/75/60/77/319756077.db2.gz AFQZHFIKYDZDNY-LBPRGKRZSA-N 2 0 329.391 1.852 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000423326038 319764772 /nfs/dbraw/zinc/76/47/72/319764772.db2.gz JBAKZLFTRNUBOQ-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423385098 319768931 /nfs/dbraw/zinc/76/89/31/319768931.db2.gz GIAHQLANSBOWOB-YJBOKZPZSA-N 2 0 335.448 1.467 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273032409 443525165 /nfs/dbraw/zinc/52/51/65/443525165.db2.gz DSNBNFNKRUIJTO-KRWDZBQOSA-N 2 0 345.487 1.867 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272282525 443579558 /nfs/dbraw/zinc/57/95/58/443579558.db2.gz BVOQZKGQORUEEP-QZTJIDSGSA-N 2 0 330.476 1.984 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425904287 319875363 /nfs/dbraw/zinc/87/53/63/319875363.db2.gz YAVAGPBYHFZPLJ-UHFFFAOYSA-N 2 0 342.443 1.834 20 0 EDADRP CCCO[C@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433137790 319971414 /nfs/dbraw/zinc/97/14/14/319971414.db2.gz PWTFDYOUWRIFAN-KRWDZBQOSA-N 2 0 325.497 1.997 20 0 EDADRP CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1c(C)nn(C)c1C ZINC000433150981 319972128 /nfs/dbraw/zinc/97/21/28/319972128.db2.gz YBSLCPMQHLVODV-MRXNPFEDSA-N 2 0 335.496 1.808 20 0 EDADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000442000760 320105049 /nfs/dbraw/zinc/10/50/49/320105049.db2.gz MRZRPLZBXVASDY-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000443691294 320109141 /nfs/dbraw/zinc/10/91/41/320109141.db2.gz RIJMODUJDAHMLO-YCPHGPKFSA-N 2 0 328.526 1.405 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000449483890 320192327 /nfs/dbraw/zinc/19/23/27/320192327.db2.gz DEJPEUQENRPDMH-FFSVYQOJSA-N 2 0 325.403 1.915 20 0 EDADRP [NH3+]CC[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(F)(F)F ZINC000449723556 320202098 /nfs/dbraw/zinc/20/20/98/320202098.db2.gz FWLYMTPMTICTAJ-LBPRGKRZSA-N 2 0 337.386 1.417 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453638872 320265563 /nfs/dbraw/zinc/26/55/63/320265563.db2.gz DMYIVBWIZXOYHO-KRWDZBQOSA-N 2 0 346.475 1.632 20 0 EDADRP CO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000459738441 320349225 /nfs/dbraw/zinc/34/92/25/320349225.db2.gz AHKXMHGXKVMCMU-RCCFBDPRSA-N 2 0 345.487 1.953 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000489397557 320359776 /nfs/dbraw/zinc/35/97/76/320359776.db2.gz NBSHAVOMEYXDCX-IXDOHACOSA-N 2 0 340.512 1.326 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1C[C@@H](C)O ZINC000276459718 443713426 /nfs/dbraw/zinc/71/34/26/443713426.db2.gz AFVZENNHRLTWDD-DNVCBOLYSA-N 2 0 345.487 1.292 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1cccs1 ZINC000518890860 320461030 /nfs/dbraw/zinc/46/10/30/320461030.db2.gz KJVDLJKZFLSKCJ-UHFFFAOYSA-N 2 0 333.523 1.046 20 0 EDADRP [NH3+][C@H]1C[C@@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000519161932 320463411 /nfs/dbraw/zinc/46/34/11/320463411.db2.gz SYDFBROMHMJWSM-OTVXOJSOSA-N 2 0 335.423 1.522 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)cc2C1 ZINC000519631806 320469585 /nfs/dbraw/zinc/46/95/85/320469585.db2.gz GHLTWKQFCCPHBK-ZBFHGGJFSA-N 2 0 329.448 1.600 20 0 EDADRP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000521045127 320481925 /nfs/dbraw/zinc/48/19/25/320481925.db2.gz IZMWIKZITYWHQG-CYBMUJFWSA-N 2 0 331.420 1.419 20 0 EDADRP COc1ccc(CN2CCCN(CCc3cncn3C)CC2=O)cc1 ZINC000298394173 443760683 /nfs/dbraw/zinc/76/06/83/443760683.db2.gz LMVUGJMFPWJXAO-UHFFFAOYSA-N 2 0 342.443 1.706 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288111932 443774415 /nfs/dbraw/zinc/77/44/15/443774415.db2.gz VPBFKADTSFWHDG-JQHSSLGASA-N 2 0 348.491 1.119 20 0 EDADRP C[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)CN1CC[NH+](C)CC1 ZINC000531959772 320669810 /nfs/dbraw/zinc/66/98/10/320669810.db2.gz KJDRAIZJJSELEL-NFOMZHRRSA-N 2 0 337.430 1.696 20 0 EDADRP COC1(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000277055152 443898174 /nfs/dbraw/zinc/89/81/74/443898174.db2.gz QOSPIUBZTKPLNB-UHFFFAOYSA-N 2 0 334.464 1.119 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000288394385 443867225 /nfs/dbraw/zinc/86/72/25/443867225.db2.gz FRIIFSZBJSCYIX-IBGZPJMESA-N 2 0 345.487 1.859 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNCc1cnc2cnccn12 ZINC000288516553 443905038 /nfs/dbraw/zinc/90/50/38/443905038.db2.gz JEQQSRFUAGXSSG-UHFFFAOYSA-N 2 0 340.431 1.745 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000288742176 443969776 /nfs/dbraw/zinc/96/97/76/443969776.db2.gz MJKPQMJXMFRHQM-PVAVHDDUSA-N 2 0 347.459 1.294 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCSC1 ZINC000561055447 321032038 /nfs/dbraw/zinc/03/20/38/321032038.db2.gz FSRLTSXUZXVPJS-DYVFJYSZSA-N 2 0 349.504 1.456 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)CC1 ZINC000563379101 321106919 /nfs/dbraw/zinc/10/69/19/321106919.db2.gz VHLDXMUXNVWLKK-UHFFFAOYSA-N 2 0 336.524 1.204 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC[NH2+]1 ZINC000563406005 321109282 /nfs/dbraw/zinc/10/92/82/321109282.db2.gz ZNZBYCVXCCPYNM-SJLPKXTDSA-N 2 0 345.487 1.964 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000564189512 321123499 /nfs/dbraw/zinc/12/34/99/321123499.db2.gz WGROLBSFUAQLFL-UHFFFAOYSA-N 2 0 346.475 1.665 20 0 EDADRP C[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[NH+]1CC(C)C1 ZINC000564665265 321140507 /nfs/dbraw/zinc/14/05/07/321140507.db2.gz HMDDPTKYGKKIKC-KZNAEPCWSA-N 2 0 336.524 1.344 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000564823650 321149881 /nfs/dbraw/zinc/14/98/81/321149881.db2.gz PTBILMDPHUESQP-NZSAHSFTSA-N 2 0 335.492 1.619 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000564827514 321150787 /nfs/dbraw/zinc/15/07/87/321150787.db2.gz QKYMDTLNWJSIIO-DRPJVOAASA-N 2 0 337.489 1.633 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1 ZINC000564942607 321158796 /nfs/dbraw/zinc/15/87/96/321158796.db2.gz YHQJCFFFKKVOLQ-INIZCTEOSA-N 2 0 330.436 1.050 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000564973873 321162264 /nfs/dbraw/zinc/16/22/64/321162264.db2.gz AEIDDAOQIUPZBR-LSDHHAIUSA-N 2 0 332.366 1.656 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC[NH2+]C2CC2)[C@@H](c2ccccc2)C1 ZINC000565435133 321186522 /nfs/dbraw/zinc/18/65/22/321186522.db2.gz YKUCWPGJLZWTRW-LJQANCHMSA-N 2 0 344.503 1.624 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000566108071 321215522 /nfs/dbraw/zinc/21/55/22/321215522.db2.gz SHXHMZNXNQTKKZ-SFHVURJKSA-N 2 0 349.475 1.847 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCCN1CCOCC1)c1cccs1 ZINC000289288308 444097670 /nfs/dbraw/zinc/09/76/70/444097670.db2.gz UGYKLRFEKQTFAO-AWEZNQCLSA-N 2 0 340.493 1.372 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000567690684 321252812 /nfs/dbraw/zinc/25/28/12/321252812.db2.gz HDRXOVDKFUQTDB-IBGZPJMESA-N 2 0 337.483 1.736 20 0 EDADRP CN(C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC([NH3+])C1 ZINC000567870570 321263364 /nfs/dbraw/zinc/26/33/64/321263364.db2.gz PYLQAQFTODYOFO-ABHNRTSZSA-N 2 0 345.491 1.106 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@@H+]1C ZINC000569320840 321323877 /nfs/dbraw/zinc/32/38/77/321323877.db2.gz HDWLBTTYQBFEOT-INIZCTEOSA-N 2 0 332.448 1.973 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000569967429 321332433 /nfs/dbraw/zinc/33/24/33/321332433.db2.gz YOBAIPHGLFNUSK-SJLPKXTDSA-N 2 0 331.460 1.647 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000572013910 321410795 /nfs/dbraw/zinc/41/07/95/321410795.db2.gz JETBRGOIGHZIJF-INIZCTEOSA-N 2 0 337.851 1.582 20 0 EDADRP CN(CCC[N@H+](C)CC(=O)N1CCc2ccccc2C1)CC[NH+](C)C ZINC000289422983 444139380 /nfs/dbraw/zinc/13/93/80/444139380.db2.gz MXGHKVFVOGMOOI-UHFFFAOYSA-N 2 0 346.519 1.387 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(=O)N2CCOCC2)CC1 ZINC000285917845 444152239 /nfs/dbraw/zinc/15/22/39/444152239.db2.gz CGJSMDYKBIEORJ-UHFFFAOYSA-N 2 0 345.487 1.878 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@@H]2C1 ZINC000285939982 444159100 /nfs/dbraw/zinc/15/91/00/444159100.db2.gz VNCHSXKBDONZIP-MOPGFXCFSA-N 2 0 343.471 1.828 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)Cc1c(Cl)ncnc1N(C)C ZINC000289525358 444165070 /nfs/dbraw/zinc/16/50/70/444165070.db2.gz VWBMUCZLTTZFAH-UHFFFAOYSA-N 2 0 342.919 1.511 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000289822600 444207649 /nfs/dbraw/zinc/20/76/49/444207649.db2.gz CYGXJKCRUSEXDY-MOPGFXCFSA-N 2 0 344.503 1.935 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000289928018 444220502 /nfs/dbraw/zinc/22/05/02/444220502.db2.gz OFZOSSFNVZXZGS-BMFZPTHFSA-N 2 0 333.432 1.046 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000301622503 444182353 /nfs/dbraw/zinc/18/23/53/444182353.db2.gz DVDNIJXZSNWFQJ-UHFFFAOYSA-N 2 0 335.415 1.567 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576758334 321593831 /nfs/dbraw/zinc/59/38/31/321593831.db2.gz NBWMZICYAZQQEL-HUUCEWRRSA-N 2 0 331.464 1.680 20 0 EDADRP C[C@H](O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000305672236 444271938 /nfs/dbraw/zinc/27/19/38/444271938.db2.gz XSWNEXXMQJOBCA-WNRNVDISSA-N 2 0 328.497 1.189 20 0 EDADRP CC(C)c1cc(N2CC[C@@H]([NH+](C)C)C2)nc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000302786355 444224054 /nfs/dbraw/zinc/22/40/54/444224054.db2.gz WDNVABJRFYRROU-HZPDHXFCSA-N 2 0 346.523 1.881 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000305755912 444278074 /nfs/dbraw/zinc/27/80/74/444278074.db2.gz BINXAGLLSNSYGB-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000577860274 321688873 /nfs/dbraw/zinc/68/88/73/321688873.db2.gz VFYFQGDFLPRCCN-RRFJBIMHSA-N 2 0 337.430 1.553 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[NH+](C)C ZINC000323320936 444342631 /nfs/dbraw/zinc/34/26/31/444342631.db2.gz TXQCZFGEUSXCMU-ATNYBXOESA-N 2 0 325.497 1.611 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510109 444343621 /nfs/dbraw/zinc/34/36/21/444343621.db2.gz YIFCIZNUQYNJKQ-ICSRJNTNSA-N 2 0 349.519 1.379 20 0 EDADRP Cc1ccc(OCCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000324767461 444357546 /nfs/dbraw/zinc/35/75/46/444357546.db2.gz CIBXYCHIWISBQE-KRWDZBQOSA-N 2 0 333.476 1.859 20 0 EDADRP CC[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000337812841 444419755 /nfs/dbraw/zinc/41/97/55/444419755.db2.gz MJPHEMOISLMTMY-RTBURBONSA-N 2 0 345.487 1.693 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000579333330 321919535 /nfs/dbraw/zinc/91/95/35/321919535.db2.gz FALYMQTYVWZONA-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CCN1C ZINC000329003095 444441348 /nfs/dbraw/zinc/44/13/48/444441348.db2.gz HJQQOHBONXLORR-XWESNNAXSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CN1C1CC1 ZINC000329188920 444495988 /nfs/dbraw/zinc/49/59/88/444495988.db2.gz QPSHCRWNCFEXMW-MCIONIFRSA-N 2 0 327.494 1.158 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000580432716 322050235 /nfs/dbraw/zinc/05/02/35/322050235.db2.gz WGJSZAMLSAOJMJ-MSOLQXFVSA-N 2 0 331.460 1.717 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000580832255 322101132 /nfs/dbraw/zinc/10/11/32/322101132.db2.gz USNFMBPOHSMZHV-LISAXSMJSA-N 2 0 328.460 1.642 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580881913 322107230 /nfs/dbraw/zinc/10/72/30/322107230.db2.gz GBYNYQLPNRVSTG-NJAFHUGGSA-N 2 0 330.476 1.806 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@@H]2CCC[C@H]21 ZINC000580908334 322111362 /nfs/dbraw/zinc/11/13/62/322111362.db2.gz IOONCURCKOEPJN-YESZJQIVSA-N 2 0 334.485 1.979 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581001234 322122658 /nfs/dbraw/zinc/12/26/58/322122658.db2.gz HNPUOOKLQPDZEV-KBAYOESNSA-N 2 0 345.491 1.106 20 0 EDADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601874 322197507 /nfs/dbraw/zinc/19/75/07/322197507.db2.gz QGUJDPRJSQIQFC-YCEFEEMOSA-N 2 0 332.444 1.883 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013522 322245638 /nfs/dbraw/zinc/24/56/38/322245638.db2.gz OIULNMHNOJXEKO-CEXWTWQISA-N 3 0 344.503 1.743 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343791384 444594151 /nfs/dbraw/zinc/59/41/51/444594151.db2.gz OMMLEWZREXZCCN-DQIHPLBOSA-N 2 0 335.492 1.285 20 0 EDADRP CC(C)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)[NH+]1CCC(C)CC1 ZINC000343794995 444596099 /nfs/dbraw/zinc/59/60/99/444596099.db2.gz UTOOJZBYCFALLR-HQSKLWIPSA-N 2 0 349.519 1.674 20 0 EDADRP C[C@@H](C[NH+](C)C)Nc1nc2ccccc2c(N[C@@H](C)C[NH+](C)C)n1 ZINC000343804322 444602018 /nfs/dbraw/zinc/60/20/18/444602018.db2.gz JHAJFTDMKKRSGF-KBPBESRZSA-N 2 0 330.480 1.198 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC[N@@H+]1CCOC ZINC000342352518 444648504 /nfs/dbraw/zinc/64/85/04/444648504.db2.gz XNAFIIFNBZJIMF-INMHGKMJSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639969 444660552 /nfs/dbraw/zinc/66/05/52/444660552.db2.gz WVAPHUIFGCZXFS-WMLDXEAASA-N 2 0 337.489 1.656 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2C[NH2+]Cc2cnnn2C)C[C@H](C)O1 ZINC000343928032 444674762 /nfs/dbraw/zinc/67/47/62/444674762.db2.gz CGUCOESBYIAQBF-GASCZTMLSA-N 2 0 329.448 1.714 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341207600 444729645 /nfs/dbraw/zinc/72/96/45/444729645.db2.gz UFGVUAUBBOXRBI-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000341209528 444730454 /nfs/dbraw/zinc/73/04/54/444730454.db2.gz GPQIFNPHVUNANW-INIZCTEOSA-N 2 0 326.485 1.007 20 0 EDADRP O=C(C[NH2+][C@@H](CCO)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000341209095 444731084 /nfs/dbraw/zinc/73/10/84/444731084.db2.gz GMEHJDNEIDTPSH-SFHVURJKSA-N 2 0 331.460 1.443 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000625540438 450416714 /nfs/dbraw/zinc/41/67/14/450416714.db2.gz ITLIUSFXSTTYHK-NXOAAHMSSA-N 2 0 327.513 1.778 20 0 EDADRP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCC[C@H](C)C1 ZINC000334084167 444775316 /nfs/dbraw/zinc/77/53/16/444775316.db2.gz YJDYBNDFXRAQDA-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H](C[C@H](C)O)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000341217159 444734464 /nfs/dbraw/zinc/73/44/64/444734464.db2.gz RSQONTBVJRQSBT-CVEARBPZSA-N 2 0 349.479 1.052 20 0 EDADRP Cc1nccn1CCC[N@@H+]1CCC[C@@H](CNS(=O)(=O)C2CC2)C1 ZINC000344123425 444793378 /nfs/dbraw/zinc/79/33/78/444793378.db2.gz VRUNBYPIUGTDDB-HNNXBMFYSA-N 2 0 340.493 1.375 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000341367908 444798264 /nfs/dbraw/zinc/79/82/64/444798264.db2.gz GGNYPFFDNDGQHU-GDBMZVCRSA-N 2 0 349.479 1.304 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCN1CCO[C@@H](C)C1 ZINC000344141799 444803528 /nfs/dbraw/zinc/80/35/28/444803528.db2.gz ANIVFKGTPGSWEH-SFHVURJKSA-N 2 0 326.529 1.057 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@H]1CC ZINC000342664716 444803960 /nfs/dbraw/zinc/80/39/60/444803960.db2.gz QHYAVBJWGSWCQJ-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N(C)C(C)C ZINC000344189516 444830325 /nfs/dbraw/zinc/83/03/25/444830325.db2.gz WZUGRDOSXURVPE-KRWDZBQOSA-N 2 0 326.529 1.591 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342764510 444855118 /nfs/dbraw/zinc/85/51/18/444855118.db2.gz IONNNQBQHAIRRL-KGLIPLIRSA-N 2 0 327.469 1.284 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000344302120 444888881 /nfs/dbraw/zinc/88/88/81/444888881.db2.gz UNFCWPBNPMABQB-ZBFHGGJFSA-N 2 0 347.463 1.405 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000341769677 444993274 /nfs/dbraw/zinc/99/32/74/444993274.db2.gz MRRQEEOYRRJFSU-APWZRJJASA-N 2 0 344.503 1.960 20 0 EDADRP CCC[C@@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)[NH+](C)C ZINC000344489297 445006142 /nfs/dbraw/zinc/00/61/42/445006142.db2.gz IXHLSUIKJRMLOZ-HOTGVXAUSA-N 2 0 333.480 1.891 20 0 EDADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(C(N)=O)cc1 ZINC000337273109 445011114 /nfs/dbraw/zinc/01/11/14/445011114.db2.gz OWUBNDSXIRWHCS-UHFFFAOYSA-N 2 0 332.448 1.532 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061304 445014275 /nfs/dbraw/zinc/01/42/75/445014275.db2.gz HMUKWPXXGNMFPT-OXQOHEQNSA-N 2 0 349.494 1.829 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339313738 445131825 /nfs/dbraw/zinc/13/18/25/445131825.db2.gz FBACFZLDKOYPOK-HOTGVXAUSA-N 2 0 328.501 1.232 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H](c2cncn2C)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344738830 445138141 /nfs/dbraw/zinc/13/81/41/445138141.db2.gz HWYANKMULUSXKY-WMLDXEAASA-N 2 0 333.480 1.356 20 0 EDADRP C[C@@H](CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000341986429 445108812 /nfs/dbraw/zinc/10/88/12/445108812.db2.gz UUMALLXBKZKUJK-ZFWWWQNUSA-N 2 0 340.512 1.068 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339497575 445146417 /nfs/dbraw/zinc/14/64/17/445146417.db2.gz HMPIBPJTYZIEOZ-UHFFFAOYSA-N 2 0 340.512 1.210 20 0 EDADRP C[C@@H]1COCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000345734712 445197563 /nfs/dbraw/zinc/19/75/63/445197563.db2.gz AWZLVXJRNKBCME-AEFFLSMTSA-N 2 0 346.475 1.383 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[NH2+][C@H]3C)cn2)CC1 ZINC000343476887 445230295 /nfs/dbraw/zinc/23/02/95/445230295.db2.gz OLMIABCHZDPLHX-DOTOQJQBSA-N 2 0 345.491 1.228 20 0 EDADRP CCN1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)[C@@H](C)C1 ZINC000343564091 445244806 /nfs/dbraw/zinc/24/48/06/445244806.db2.gz GXHGQLBYBYHIHS-WMZOPIPTSA-N 2 0 331.508 1.653 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C[C@H]1C ZINC000351635809 445251660 /nfs/dbraw/zinc/25/16/60/445251660.db2.gz QDSYQOPIZDCQPU-NXOAAHMSSA-N 2 0 340.512 1.346 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000348376547 445270204 /nfs/dbraw/zinc/27/02/04/445270204.db2.gz LVDDXCOEEWJMQR-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348126517 445282657 /nfs/dbraw/zinc/28/26/57/445282657.db2.gz JQTIZFSRUPGIAC-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)C(C)C ZINC000351734609 445298959 /nfs/dbraw/zinc/29/89/59/445298959.db2.gz NEDNQXGZRHDTMQ-MRXNPFEDSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000356982940 445360480 /nfs/dbraw/zinc/36/04/80/445360480.db2.gz PMPNPGHRZVWYKA-MRXNPFEDSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1cnc(N2CCC([NH+](C)C)CC2)nc1N1CCC([NH+](C)C)CC1 ZINC000357105488 445431187 /nfs/dbraw/zinc/43/11/87/445431187.db2.gz ZIJPPCIGZMEPAE-UHFFFAOYSA-N 2 0 346.523 1.846 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359702501 445383496 /nfs/dbraw/zinc/38/34/96/445383496.db2.gz GQMZRQVSLGYOSM-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000362651175 445479014 /nfs/dbraw/zinc/47/90/14/445479014.db2.gz FNSUMNWESNQLRL-ZJIFWQFVSA-N 2 0 326.485 1.077 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cn2)C1 ZINC000352013485 445438322 /nfs/dbraw/zinc/43/83/22/445438322.db2.gz JDMQRIRRKWHCGR-KRWDZBQOSA-N 2 0 335.448 1.801 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000348935944 445448076 /nfs/dbraw/zinc/44/80/76/445448076.db2.gz RAJAVPCWQQYHOR-QGZVFWFLSA-N 2 0 339.524 1.973 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C2CCOCC2)CC1 ZINC000348950429 445452303 /nfs/dbraw/zinc/45/23/03/445452303.db2.gz QCTHIPFAMUIWBB-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000352051991 445460377 /nfs/dbraw/zinc/46/03/77/445460377.db2.gz GWMYZNMXIAIIKP-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CCc1nc2n(n1)CCC[C@@H]2NC1CC[NH+](CCCC(=O)OC)CC1 ZINC000359864793 445466416 /nfs/dbraw/zinc/46/64/16/445466416.db2.gz CNXDACWIOLDPSY-HNNXBMFYSA-N 2 0 349.479 1.683 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CCCC2)CC1 ZINC000362760427 445536414 /nfs/dbraw/zinc/53/64/14/445536414.db2.gz QXBNFLYNBFICAH-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP CCCn1nc(C)c(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c1C ZINC000362677271 445494394 /nfs/dbraw/zinc/49/43/94/445494394.db2.gz XPGDTAMURMPXFE-INIZCTEOSA-N 2 0 333.480 1.306 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCC[NH+](C)C ZINC000362682812 445498396 /nfs/dbraw/zinc/49/83/96/445498396.db2.gz GUJACRVOSMLICB-HOCLYGCPSA-N 2 0 349.475 1.450 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC1 ZINC000359954724 445502891 /nfs/dbraw/zinc/50/28/91/445502891.db2.gz PTWDNJKPTQGWIR-UHFFFAOYSA-N 2 0 346.519 1.781 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360124598 445580356 /nfs/dbraw/zinc/58/03/56/445580356.db2.gz LUMUXYHDPXSRCB-HOTGVXAUSA-N 2 0 328.501 1.107 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000360044431 445542596 /nfs/dbraw/zinc/54/25/96/445542596.db2.gz FLINGOLFBOAPHE-LSDHHAIUSA-N 2 0 336.480 1.704 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000360211922 445631336 /nfs/dbraw/zinc/63/13/36/445631336.db2.gz HCXJYCQCIOYSHU-HOTGVXAUSA-N 2 0 339.480 1.982 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356217858 445681086 /nfs/dbraw/zinc/68/10/86/445681086.db2.gz DMILTYLKGKGVEK-IRXDYDNUSA-N 2 0 347.507 1.973 20 0 EDADRP CC(C)[N@H+](CCO)CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000356227606 445686280 /nfs/dbraw/zinc/68/62/80/445686280.db2.gz WFUKTJWETNLWJP-KRWDZBQOSA-N 2 0 333.476 1.595 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356229476 445687176 /nfs/dbraw/zinc/68/71/76/445687176.db2.gz RGKUMMKEWXDTPP-HNNXBMFYSA-N 2 0 333.480 1.725 20 0 EDADRP C[C@H](CC1CCOCC1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353677743 445703551 /nfs/dbraw/zinc/70/35/51/445703551.db2.gz ZTBGRUNLLHYGDF-MRXNPFEDSA-N 2 0 325.497 1.773 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000353696785 445713952 /nfs/dbraw/zinc/71/39/52/445713952.db2.gz OELACPMOHKHEDP-INIZCTEOSA-N 2 0 344.503 1.131 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CC[NH2+][C@H](C)C3)cn2)CC1 ZINC000358688762 445718725 /nfs/dbraw/zinc/71/87/25/445718725.db2.gz SXZYVRGAPDLIPP-NVXWUHKLSA-N 2 0 345.491 1.228 20 0 EDADRP C[C@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000358694324 445721453 /nfs/dbraw/zinc/72/14/53/445721453.db2.gz QCKFNMJXRWGNRD-DLBZAZTESA-N 3 0 345.491 1.098 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)CC[NH+](C)CC1 ZINC000360695231 445722904 /nfs/dbraw/zinc/72/29/04/445722904.db2.gz OFJVDZGTFUGCKX-LSDHHAIUSA-N 2 0 340.537 1.549 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C1 ZINC000363247787 445738784 /nfs/dbraw/zinc/73/87/84/445738784.db2.gz VDYKWBJAFUTYCF-IAGOWNOFSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)CC(=O)N1CC[NH+](C[C@@H](C)CC2CCOCC2)CC1 ZINC000349979976 445740380 /nfs/dbraw/zinc/74/03/80/445740380.db2.gz YEAYZUSXPJEDTA-KRWDZBQOSA-N 2 0 339.524 1.925 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361111023 445749761 /nfs/dbraw/zinc/74/97/61/445749761.db2.gz IPIMQIFIYLMDEH-ROUUACIJSA-N 2 0 346.523 1.309 20 0 EDADRP CC(C)c1cc(NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)nc(N(C)C)n1 ZINC000361151376 445750741 /nfs/dbraw/zinc/75/07/41/445750741.db2.gz UEJIXLLGOAJDRC-KRWDZBQOSA-N 2 0 348.539 2.350 20 0 EDADRP CC(C)N1CCC[C@H]([N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000363477994 445820485 /nfs/dbraw/zinc/82/04/85/445820485.db2.gz FDPFFUCEDPMKKY-MSOLQXFVSA-N 2 0 336.524 1.486 20 0 EDADRP CC1(C)CC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390713 445785393 /nfs/dbraw/zinc/78/53/93/445785393.db2.gz VNOMFKFEBSVVEK-LSDHHAIUSA-N 2 0 338.496 1.458 20 0 EDADRP Cn1ccnc1CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000363402967 445789687 /nfs/dbraw/zinc/78/96/87/445789687.db2.gz UDLFWPUHHYEHPM-INIZCTEOSA-N 2 0 342.447 1.527 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C)C2)C1 ZINC000350225010 445796187 /nfs/dbraw/zinc/79/61/87/445796187.db2.gz UKULAYADQVQSRG-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000363437039 445801568 /nfs/dbraw/zinc/80/15/68/445801568.db2.gz NVKWXCYINOMKBZ-INIZCTEOSA-N 2 0 348.495 1.640 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000350284599 445806092 /nfs/dbraw/zinc/80/60/92/445806092.db2.gz DYCKVMBYNRRECL-GJZGRUSLSA-N 2 0 342.484 1.042 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC1 ZINC000356531509 445844978 /nfs/dbraw/zinc/84/49/78/445844978.db2.gz LVMQOSPUDXWOOE-INIZCTEOSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)c2ccnc(C[NH3+])c2)c1 ZINC000361610173 445846761 /nfs/dbraw/zinc/84/67/61/445846761.db2.gz LSIWGNNCZDCHSO-UHFFFAOYSA-N 2 0 328.416 1.411 20 0 EDADRP [NH3+]Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)ccn1 ZINC000361628176 445855999 /nfs/dbraw/zinc/85/59/99/445855999.db2.gz SENITEPLHXYSNC-UHFFFAOYSA-N 2 0 332.448 1.305 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCc3nnnn3-c3ccccc3)CC[C@H]21 ZINC000361675954 445873219 /nfs/dbraw/zinc/87/32/19/445873219.db2.gz PUMCAUCNKUSVGK-NVXWUHKLSA-N 2 0 326.448 1.621 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000365917281 445905714 /nfs/dbraw/zinc/90/57/14/445905714.db2.gz DZMBBLVSAHFCKE-YOEHRIQHSA-N 2 0 327.472 1.827 20 0 EDADRP O=C(CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)Nc1cccnc1 ZINC000361826773 445984307 /nfs/dbraw/zinc/98/43/07/445984307.db2.gz CCEDOMUWPIRGTI-UHFFFAOYSA-N 2 0 346.475 1.987 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000361793340 445950944 /nfs/dbraw/zinc/95/09/44/445950944.db2.gz WZSNHIQSUNKMPQ-ZOBUZTSGSA-N 2 0 342.553 1.938 20 0 EDADRP [NH3+][C@@H]1CCC[C@@]12CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000365097457 446022376 /nfs/dbraw/zinc/02/23/76/446022376.db2.gz ZBYCCEWRDHAERQ-AEFFLSMTSA-N 2 0 335.492 1.751 20 0 EDADRP CN(CC[N@H+](C)CCC(=O)Nc1cccnc1)C1CC[NH+](C)CC1 ZINC000361869188 446024372 /nfs/dbraw/zinc/02/43/72/446024372.db2.gz RWEWFFZDTLBGPH-UHFFFAOYSA-N 2 0 333.480 1.368 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000583569694 326097786 /nfs/dbraw/zinc/09/77/86/326097786.db2.gz JPEHJSMRRWNEFO-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000583750895 326132900 /nfs/dbraw/zinc/13/29/00/326132900.db2.gz RZWHNMUJLBGYDO-BEFAXECRSA-N 2 0 343.471 1.491 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1)N1CC[NH2+]CC1 ZINC000583994173 326179946 /nfs/dbraw/zinc/17/99/46/326179946.db2.gz PMYUORYQAJALKZ-KRWDZBQOSA-N 2 0 328.460 1.298 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000584092068 326196850 /nfs/dbraw/zinc/19/68/50/326196850.db2.gz ZQUDBUOUUTUSFL-RBUKOAKNSA-N 2 0 342.491 1.635 20 0 EDADRP O=C(COC1C[NH2+]C1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000584114274 326202844 /nfs/dbraw/zinc/20/28/44/326202844.db2.gz SWDFYHIKUZKKET-OAHLLOKOSA-N 2 0 335.473 1.207 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3ccc(N4CCCC4)nc3)C2)C1 ZINC000366178419 446065792 /nfs/dbraw/zinc/06/57/92/446065792.db2.gz NYTYVZHJHKNYPT-IBGZPJMESA-N 2 0 343.475 1.919 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3ccc(N4CCCC4)nc3)C2)C1 ZINC000366178420 446065878 /nfs/dbraw/zinc/06/58/78/446065878.db2.gz NYTYVZHJHKNYPT-LJQANCHMSA-N 2 0 343.475 1.919 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369654415 446139561 /nfs/dbraw/zinc/13/95/61/446139561.db2.gz LIVCSTXTOOFYHB-ZBFHGGJFSA-N 2 0 348.495 2.000 20 0 EDADRP O=C(CN1C[C@@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359308956 446139844 /nfs/dbraw/zinc/13/98/44/446139844.db2.gz QMINYXVQOPYSGF-OALUTQOASA-N 2 0 342.487 1.050 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]C[C@@H]2CCn3ccnc3C2)cn1 ZINC000369366883 446107233 /nfs/dbraw/zinc/10/72/33/446107233.db2.gz SWJYNHIYYRNUON-OAHLLOKOSA-N 2 0 329.448 1.713 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000351616602 446210903 /nfs/dbraw/zinc/21/09/03/446210903.db2.gz ULEURRHYBDTCQL-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCN([C@@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000370323250 446229910 /nfs/dbraw/zinc/22/99/10/446229910.db2.gz DGVMIZNLXQRWKI-SOLBZPMBSA-N 2 0 349.523 1.033 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000359488839 446254584 /nfs/dbraw/zinc/25/45/84/446254584.db2.gz ZMOIGGCGWBHGIJ-MSOLQXFVSA-N 2 0 337.508 1.678 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000417504314 446356543 /nfs/dbraw/zinc/35/65/43/446356543.db2.gz MYPALNMGRVNTEA-GOSISDBHSA-N 2 0 330.476 1.556 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH2+][C@H](C)[C@H]2C)CC1 ZINC000417545793 446363964 /nfs/dbraw/zinc/36/39/64/446363964.db2.gz KOUUBWUWIYSGCY-ZIAGYGMSSA-N 2 0 326.485 1.268 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000417547674 446364284 /nfs/dbraw/zinc/36/42/84/446364284.db2.gz OYZUIIGCVDSVFA-HIFRSBDPSA-N 2 0 326.485 1.316 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417593421 446366308 /nfs/dbraw/zinc/36/63/08/446366308.db2.gz ZSEYFFKCTPPJKF-CQSZACIVSA-N 2 0 326.485 1.447 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1F ZINC000417656948 446368123 /nfs/dbraw/zinc/36/81/23/446368123.db2.gz GXZUQTRTZVVPQL-JLJPHGGASA-N 2 0 334.439 1.766 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000417670613 446369796 /nfs/dbraw/zinc/36/97/96/446369796.db2.gz OMXLUVSPYBBFMB-ARFHVFGLSA-N 2 0 326.485 1.175 20 0 EDADRP OCCC1(C[NH2+]C2CCN(CCN3CCOCC3)CC2)CCCC1 ZINC000370660923 446376824 /nfs/dbraw/zinc/37/68/24/446376824.db2.gz OLDKLTNMGLYAOH-UHFFFAOYSA-N 2 0 339.524 1.315 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(C(N)=O)CC2)[C@@H](c2ccccc2)C1 ZINC000370670843 446379811 /nfs/dbraw/zinc/37/98/11/446379811.db2.gz HZSVAUUAAZFKSU-GOSISDBHSA-N 2 0 345.491 1.108 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(C(N)=O)CC2)[C@H](c2ccccc2)C1 ZINC000370670844 446380645 /nfs/dbraw/zinc/38/06/45/446380645.db2.gz HZSVAUUAAZFKSU-SFHVURJKSA-N 2 0 345.491 1.108 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417929350 446388961 /nfs/dbraw/zinc/38/89/61/446388961.db2.gz IQURJLZSTVCZPY-QGZVFWFLSA-N 2 0 339.528 1.091 20 0 EDADRP CN1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000417946425 446394112 /nfs/dbraw/zinc/39/41/12/446394112.db2.gz FFZVNVBNECLLGT-UONOGXRCSA-N 2 0 326.391 1.747 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000370783261 446439925 /nfs/dbraw/zinc/43/99/25/446439925.db2.gz XLRHABOLQMTZRY-CLCXKQKWSA-N 2 0 349.450 1.614 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423145685 446440686 /nfs/dbraw/zinc/44/06/86/446440686.db2.gz MABINAIDTGFATJ-AAEUAGOBSA-N 2 0 328.254 1.718 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418101693 446440773 /nfs/dbraw/zinc/44/07/73/446440773.db2.gz GHTNXQGLYXYOBK-OTWHNJEPSA-N 2 0 342.487 1.759 20 0 EDADRP CC[NH2+]CC1CCN(CC(=O)Nc2ccc(C(=O)OC)cc2)CC1 ZINC000420284124 446449660 /nfs/dbraw/zinc/44/96/60/446449660.db2.gz CPEXBHYCOHQBFU-UHFFFAOYSA-N 2 0 333.432 1.733 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N(C)CC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000418002112 446412745 /nfs/dbraw/zinc/41/27/45/446412745.db2.gz YWNXIAPKVRXWBV-IAGOWNOFSA-N 2 0 332.448 1.573 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418011615 446415074 /nfs/dbraw/zinc/41/50/74/446415074.db2.gz LBZHBRLEWYQKGY-KPFFTGBYSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000370766142 446424047 /nfs/dbraw/zinc/42/40/47/446424047.db2.gz KBYJGRGKLVRUNK-HPFXQQBRSA-N 2 0 330.476 1.926 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C2([NH3+])CCCCC2)[C@H](c2ccccc2)C1 ZINC000370765908 446424401 /nfs/dbraw/zinc/42/44/01/446424401.db2.gz IESJMZKNZTVBCN-SFHVURJKSA-N 2 0 344.503 1.753 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000418199084 446455379 /nfs/dbraw/zinc/45/53/79/446455379.db2.gz MUFBNYWLAZRKQK-CVEARBPZSA-N 2 0 340.512 1.504 20 0 EDADRP CSC1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)CC[NH+](C)CC1 ZINC000418203923 446456778 /nfs/dbraw/zinc/45/67/78/446456778.db2.gz WSTOHXZGGBPDGG-AWEZNQCLSA-N 2 0 326.510 1.350 20 0 EDADRP CSc1ccc([C@@H](CNC(=O)NC[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000418237614 446467692 /nfs/dbraw/zinc/46/76/92/446467692.db2.gz VYGUNSKRYHVTOH-XJKSGUPXSA-N 2 0 336.505 1.920 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000420309253 446472228 /nfs/dbraw/zinc/47/22/28/446472228.db2.gz DTYCMXSXZXWQBI-DOTOQJQBSA-N 2 0 329.448 1.741 20 0 EDADRP [NH3+]CCN(CCO)C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000418248207 446472738 /nfs/dbraw/zinc/47/27/38/446472738.db2.gz VEZJZPXIRQPQHF-SFHVURJKSA-N 2 0 348.491 1.251 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311636 446476164 /nfs/dbraw/zinc/47/61/64/446476164.db2.gz HHLDVHRFLBGNLL-HKUYNNGSSA-N 2 0 347.503 1.782 20 0 EDADRP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@H]1CC[NH2+]C1 ZINC000420316642 446481750 /nfs/dbraw/zinc/48/17/50/446481750.db2.gz MWHLIAKSOAKWMS-OAHLLOKOSA-N 2 0 340.489 1.790 20 0 EDADRP Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420315084 446480154 /nfs/dbraw/zinc/48/01/54/446480154.db2.gz ZPPFJNLNJSRSFZ-QZTJIDSGSA-N 2 0 345.487 1.906 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N(CC[NH3+])CCc2ccccc2)C1 ZINC000418274995 446480480 /nfs/dbraw/zinc/48/04/80/446480480.db2.gz DJEKCAXVJCXXCH-GOSISDBHSA-N 2 0 332.492 1.931 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000423308028 446482993 /nfs/dbraw/zinc/48/29/93/446482993.db2.gz XBDQVKWOJJLVCT-HOTGVXAUSA-N 2 0 333.476 1.678 20 0 EDADRP COc1ccccc1[C@@H]1C[NH2+]CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420318095 446483842 /nfs/dbraw/zinc/48/38/42/446483842.db2.gz VTGUXBGMGZSJDI-JZXOWHBKSA-N 2 0 331.460 1.505 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)C1 ZINC000423332653 446492104 /nfs/dbraw/zinc/49/21/04/446492104.db2.gz QWMMJCJPPWAMKI-XOKHGSTOSA-N 2 0 344.459 1.463 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)ccc1OCC[NH+](C)C ZINC000423337016 446494188 /nfs/dbraw/zinc/49/41/88/446494188.db2.gz HAVSSCYXHLSKAV-GOEBONIOSA-N 2 0 349.475 1.640 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370878725 446495722 /nfs/dbraw/zinc/49/57/22/446495722.db2.gz FGHNMZKZSCNUGY-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418334511 446503918 /nfs/dbraw/zinc/50/39/18/446503918.db2.gz XQMKQCXFRJLPDD-RYTJFDOTSA-N 2 0 331.464 1.376 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC([NH3+])C1 ZINC000420334472 446504275 /nfs/dbraw/zinc/50/42/75/446504275.db2.gz OLJCDRAPPCCZDX-UHFFFAOYSA-N 2 0 330.432 1.564 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000423375818 446508228 /nfs/dbraw/zinc/50/82/28/446508228.db2.gz IXKCPAJOHCTQMD-GXTWGEPZSA-N 2 0 346.431 1.483 20 0 EDADRP Cc1nc(N2C[C@H](C)[NH+](C)C[C@@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000432816622 446509703 /nfs/dbraw/zinc/50/97/03/446509703.db2.gz AQKAYROITOYBEE-AJNGGQMLSA-N 2 0 347.511 1.238 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000418367202 446516419 /nfs/dbraw/zinc/51/64/19/446516419.db2.gz ZFZOYKLXSLOMOT-DLBZAZTESA-N 2 0 333.480 1.013 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+][C@H](C)C1 ZINC000420343052 446515773 /nfs/dbraw/zinc/51/57/73/446515773.db2.gz YKIDPSCESKRKLL-IAGOWNOFSA-N 2 0 344.503 1.449 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000418491198 446564177 /nfs/dbraw/zinc/56/41/77/446564177.db2.gz OADLMEDRSUKIBI-GJZGRUSLSA-N 2 0 348.491 1.693 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418493721 446565538 /nfs/dbraw/zinc/56/55/38/446565538.db2.gz WWRXQEOPTKTCSS-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433373815 446565758 /nfs/dbraw/zinc/56/57/58/446565758.db2.gz HKVDETIMRZRCRP-HZPDHXFCSA-N 2 0 342.447 1.235 20 0 EDADRP [NH3+]C1(CN[C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000423533355 446565937 /nfs/dbraw/zinc/56/59/37/446565937.db2.gz XMCCYQFIOCJMKI-BHKQZPHESA-N 2 0 333.520 1.887 20 0 EDADRP CN(CC[NH3+])CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000420390671 446566562 /nfs/dbraw/zinc/56/65/62/446566562.db2.gz ZQHACYWBOCODLO-UHFFFAOYSA-N 2 0 340.471 1.375 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)nc1 ZINC000420390674 446567391 /nfs/dbraw/zinc/56/73/91/446567391.db2.gz ZQJKEJZVXYZCIE-DLBZAZTESA-N 2 0 333.432 1.587 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]([NH3+])C3CCC3)CC2)C[C@H](C)O1 ZINC000423438871 446538230 /nfs/dbraw/zinc/53/82/30/446538230.db2.gz VOQUEIMJBCPYIM-DAYGRLMNSA-N 2 0 337.508 1.852 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000418421805 446538724 /nfs/dbraw/zinc/53/87/24/446538724.db2.gz CXPCNPFDFCRBGG-ROUUACIJSA-N 2 0 348.491 1.829 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423442482 446539551 /nfs/dbraw/zinc/53/95/51/446539551.db2.gz WOAFZNDPAGXDMG-VNQPRFMTSA-N 2 0 339.277 1.940 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000370958134 446541013 /nfs/dbraw/zinc/54/10/13/446541013.db2.gz ZLLGTTPCUYVHCR-SFHVURJKSA-N 2 0 345.487 1.313 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCOCC2CCOCC2)CC1 ZINC000433167162 446541193 /nfs/dbraw/zinc/54/11/93/446541193.db2.gz ZREBWSVKNWOFCE-UHFFFAOYSA-N 2 0 341.496 1.139 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000418431823 446541842 /nfs/dbraw/zinc/54/18/42/446541842.db2.gz RNXBOUVXBMQSGO-GASCZTMLSA-N 2 0 340.512 1.645 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418440152 446544474 /nfs/dbraw/zinc/54/44/74/446544474.db2.gz KOEVNYPBHNURSR-CQSZACIVSA-N 2 0 335.452 1.295 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418469157 446555265 /nfs/dbraw/zinc/55/52/65/446555265.db2.gz JVRGXZYYSPSQCZ-WBVHZDCISA-N 2 0 333.480 1.672 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418609436 446614621 /nfs/dbraw/zinc/61/46/21/446614621.db2.gz SMHDNZKHLSTRPQ-BGTYHANMSA-N 2 0 346.475 1.062 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C(C)C ZINC000420393383 446568987 /nfs/dbraw/zinc/56/89/87/446568987.db2.gz QJMKMHSLRZRENQ-SJORKVTESA-N 2 0 325.497 1.850 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)NCCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418504908 446570543 /nfs/dbraw/zinc/57/05/43/446570543.db2.gz BNTSSYDTIZXXFY-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)CCOCC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420400511 446572757 /nfs/dbraw/zinc/57/27/57/446572757.db2.gz JSRAYSDJXKQLQS-IRXDYDNUSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000420399553 446572928 /nfs/dbraw/zinc/57/29/28/446572928.db2.gz CBWHTJBXGFEOFS-UHFFFAOYSA-N 2 0 336.823 1.718 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000433464046 446576114 /nfs/dbraw/zinc/57/61/14/446576114.db2.gz UZTIHGWWWCGYBZ-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515570 446576653 /nfs/dbraw/zinc/57/66/53/446576653.db2.gz BQHLSLIWJJIZEX-DOTOQJQBSA-N 2 0 333.480 1.815 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418520864 446578413 /nfs/dbraw/zinc/57/84/13/446578413.db2.gz HYYVECXLCLNHFY-QYZOEREBSA-N 2 0 342.487 1.759 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418529253 446582022 /nfs/dbraw/zinc/58/20/22/446582022.db2.gz SYMOGHXICUUSAF-HYVNUMGLSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000418535652 446583669 /nfs/dbraw/zinc/58/36/69/446583669.db2.gz DYCQHPBWILMMPG-UHFFFAOYSA-N 2 0 334.439 1.819 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418538663 446585063 /nfs/dbraw/zinc/58/50/63/446585063.db2.gz DWKXBYFVHBMIGW-RDJZCZTQSA-N 2 0 333.480 1.815 20 0 EDADRP C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000420418601 446592921 /nfs/dbraw/zinc/59/29/21/446592921.db2.gz XAKAHGMINGVPAM-KBAYOESNSA-N 2 0 332.492 1.322 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418571739 446599726 /nfs/dbraw/zinc/59/97/26/446599726.db2.gz ZGGPOFJEESGKMW-SJORKVTESA-N 2 0 346.475 1.582 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000371090148 446620500 /nfs/dbraw/zinc/62/05/00/446620500.db2.gz WKPQTGMCVZGJFU-WMZOPIPTSA-N 2 0 346.475 1.583 20 0 EDADRP Cc1cc(NC(=O)CN2CCC(C)(C[NH+]3CCOCC3)CC2)on1 ZINC000371086073 446619829 /nfs/dbraw/zinc/61/98/29/446619829.db2.gz IGMFMVFBEIVPGM-UHFFFAOYSA-N 2 0 336.436 1.356 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C[C@@H](C)O ZINC000418667478 446641927 /nfs/dbraw/zinc/64/19/27/446641927.db2.gz MQZDQUVIHOGMPF-VQHPVUNQSA-N 2 0 340.512 1.238 20 0 EDADRP CN1CC[C@@H](C[NH2+][C@H](Cc2ccccc2)C(N)=O)[C@@H]1c1cccnc1 ZINC000376690166 446653491 /nfs/dbraw/zinc/65/34/91/446653491.db2.gz OUCYVRUQAOVEST-OTWHNJEPSA-N 2 0 338.455 1.761 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000371173778 446672897 /nfs/dbraw/zinc/67/28/97/446672897.db2.gz ALISMBREMPCBHS-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000418755120 446673860 /nfs/dbraw/zinc/67/38/60/446673860.db2.gz XEXOTKLZOKAZDH-UONOGXRCSA-N 2 0 330.423 1.644 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@]2(COC)CCC[NH2+]2)CC1 ZINC000418633455 446625407 /nfs/dbraw/zinc/62/54/07/446625407.db2.gz IGQOHCILTNXNOI-KRWDZBQOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000418642202 446628404 /nfs/dbraw/zinc/62/84/04/446628404.db2.gz SVWLNNOTDIRUIK-KXBFYZLASA-N 2 0 342.487 1.999 20 0 EDADRP COC[C@@]1(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000418650007 446633545 /nfs/dbraw/zinc/63/35/45/446633545.db2.gz FKADXSXNWUXHLG-AEFFLSMTSA-N 2 0 338.496 1.128 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000423758967 446688666 /nfs/dbraw/zinc/68/86/66/446688666.db2.gz KYQLPUAPIRVKJH-QYZOEREBSA-N 2 0 348.535 1.393 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000423763134 446693236 /nfs/dbraw/zinc/69/32/36/446693236.db2.gz RAUASAMIKFVPQQ-OAHLLOKOSA-N 2 0 348.495 1.367 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CCN1C ZINC000376824789 446740010 /nfs/dbraw/zinc/74/00/10/446740010.db2.gz YICZSNZHBLLYNC-PMPSAXMXSA-N 2 0 337.489 1.522 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1)C(C)C ZINC000420662868 446731121 /nfs/dbraw/zinc/73/11/21/446731121.db2.gz BVCJMBGTRUPMAC-UHFFFAOYSA-N 2 0 340.512 1.210 20 0 EDADRP CN(CC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000375336924 446732227 /nfs/dbraw/zinc/73/22/27/446732227.db2.gz PVLFOVKFQSCUJO-UHFFFAOYSA-N 2 0 346.519 1.463 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000368168042 446681757 /nfs/dbraw/zinc/68/17/57/446681757.db2.gz RMOIOFUACKWXIX-INIZCTEOSA-N 2 0 326.485 1.079 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000423754977 446683802 /nfs/dbraw/zinc/68/38/02/446683802.db2.gz ZZUATWCXFAZECF-AWEZNQCLSA-N 2 0 329.391 1.219 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418903383 446786041 /nfs/dbraw/zinc/78/60/41/446786041.db2.gz RHUBISZLWHFHII-CABCVRRESA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418903386 446786815 /nfs/dbraw/zinc/78/68/15/446786815.db2.gz RHUBISZLWHFHII-LSDHHAIUSA-N 2 0 338.496 1.014 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438881105 446801274 /nfs/dbraw/zinc/80/12/74/446801274.db2.gz JVJBRKNIAIRPIS-YOEHRIQHSA-N 2 0 328.460 1.838 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418910287 446791684 /nfs/dbraw/zinc/79/16/84/446791684.db2.gz BHCVMMVESLEWKU-HDMKZQKVSA-N 2 0 340.512 1.103 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[NH+]3CCC2CC3)[NH+](C)C)c1 ZINC000376827134 446741106 /nfs/dbraw/zinc/74/11/06/446741106.db2.gz WCAJHOKBMAPRAL-GOSISDBHSA-N 2 0 346.475 1.788 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H](C)[N@@H+]1C ZINC000454223498 446814217 /nfs/dbraw/zinc/81/42/17/446814217.db2.gz HLRNUROLQQPPEY-FZKCQIBNSA-N 2 0 326.485 1.220 20 0 EDADRP [NH3+]C1(CNC(=O)C[C@H]2CCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000424037291 446828744 /nfs/dbraw/zinc/82/87/44/446828744.db2.gz JGIZESUIXNAHEQ-QGZVFWFLSA-N 2 0 331.460 1.665 20 0 EDADRP C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000423972012 446802195 /nfs/dbraw/zinc/80/21/95/446802195.db2.gz HOAYPHVPIFPTIZ-FUHWJXTLSA-N 2 0 330.476 1.394 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C1(N2CCN(C)CC2)CCCC1 ZINC000377008900 446857321 /nfs/dbraw/zinc/85/73/21/446857321.db2.gz CTCQSQDZAZCGDG-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000424453504 446875056 /nfs/dbraw/zinc/87/50/56/446875056.db2.gz KHFVBJLXDQWURA-HNNXBMFYSA-N 2 0 346.475 1.629 20 0 EDADRP Cc1ccc(CC(=O)N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000371470258 446875436 /nfs/dbraw/zinc/87/54/36/446875436.db2.gz KEHVFKYHHAQZGG-MRXNPFEDSA-N 2 0 330.476 1.559 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419076986 446907390 /nfs/dbraw/zinc/90/73/90/446907390.db2.gz ILDRRWCWPYITCB-HNNXBMFYSA-N 2 0 338.496 1.145 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000419121369 446936953 /nfs/dbraw/zinc/93/69/53/446936953.db2.gz DJCGBRWEFVSRRY-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000412337230 446940494 /nfs/dbraw/zinc/94/04/94/446940494.db2.gz PVFJZONRBXIACD-ZBRFXRBCSA-N 2 0 337.508 1.959 20 0 EDADRP C[NH+]1CCC(CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000419146010 446961469 /nfs/dbraw/zinc/96/14/69/446961469.db2.gz HETBBBOLXUDIMC-UHFFFAOYSA-N 2 0 338.496 1.002 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372146600 447018303 /nfs/dbraw/zinc/01/83/03/447018303.db2.gz NJJJUJUMMSUXMP-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CS[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1[NH+](C)C ZINC000368601979 446972977 /nfs/dbraw/zinc/97/29/77/446972977.db2.gz HXDBAPDCDYNJEH-BNEGEGKKSA-N 2 0 325.522 1.644 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000377196531 446985081 /nfs/dbraw/zinc/98/50/81/446985081.db2.gz JIRLUNCZXANDPZ-FZCLSBEQSA-N 2 0 334.508 1.192 20 0 EDADRP COC(=O)CN1CCC([NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000368638625 446998153 /nfs/dbraw/zinc/99/81/53/446998153.db2.gz ZUSAKAPLZKGPHU-XLIONFOSSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372099440 447000920 /nfs/dbraw/zinc/00/09/20/447000920.db2.gz UVYDISXFPHYMQE-QXAKKESOSA-N 2 0 344.503 1.561 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000443059573 447002536 /nfs/dbraw/zinc/00/25/36/447002536.db2.gz NDHKWFRDYYFCOZ-QGZVFWFLSA-N 2 0 345.491 1.181 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000419191353 447002722 /nfs/dbraw/zinc/00/27/22/447002722.db2.gz OAGCPVQJRFYSRZ-CABCVRRESA-N 2 0 346.475 1.141 20 0 EDADRP NC(=O)NC(=O)CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691750 447041169 /nfs/dbraw/zinc/04/11/69/447041169.db2.gz ISFCBZCWVAKFDO-SJORKVTESA-N 2 0 344.459 1.415 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)[NH+]1CCCCCC1 ZINC000444383007 447096852 /nfs/dbraw/zinc/09/68/52/447096852.db2.gz QTSWQCSXBDYNFG-JKSUJKDBSA-N 2 0 325.497 1.555 20 0 EDADRP c1ccc(N2CC[C@@H](Nc3nccc(N[C@H]4CCCOC4)n3)C2)nc1 ZINC000372573799 447153418 /nfs/dbraw/zinc/15/34/18/447153418.db2.gz WKURDCXTALMRDG-CABCVRRESA-N 2 0 340.431 2.153 20 0 EDADRP CN1CCN(c2ncc(CN3CCC[C@@H]([NH+](C)C)CC3)cn2)CC1 ZINC000375939865 447163782 /nfs/dbraw/zinc/16/37/82/447163782.db2.gz CIBADQMOBPFDGM-QGZVFWFLSA-N 3 0 332.496 1.145 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000375901683 447132866 /nfs/dbraw/zinc/13/28/66/447132866.db2.gz CRSJVJXOCPEYEL-RBUKOAKNSA-N 2 0 335.467 1.959 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3Cc4ccccc4[C@@H]3O)CC2)CC1 ZINC000368820724 447133474 /nfs/dbraw/zinc/13/34/74/447133474.db2.gz GCDPCUVBDGKNFQ-PMACEKPBSA-N 2 0 343.515 1.994 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccsc1 ZINC000419373154 447134296 /nfs/dbraw/zinc/13/42/96/447134296.db2.gz NQDHKMHAHANOCQ-ZDUSSCGKSA-N 2 0 340.493 1.101 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1C ZINC000377545483 447194836 /nfs/dbraw/zinc/19/48/36/447194836.db2.gz YFNFPSRPGWQBDZ-OAHLLOKOSA-N 2 0 334.464 1.070 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000455657991 447199066 /nfs/dbraw/zinc/19/90/66/447199066.db2.gz MOEWANXIVHHJOK-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000377564665 447208050 /nfs/dbraw/zinc/20/80/50/447208050.db2.gz PMBVOCLFMZVAOK-INIZCTEOSA-N 2 0 339.480 1.382 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)CC1 ZINC000375952686 447170560 /nfs/dbraw/zinc/17/05/60/447170560.db2.gz CQJJMXOTEMXQJD-MOPGFXCFSA-N 2 0 339.524 1.672 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000376046462 447233085 /nfs/dbraw/zinc/23/30/85/447233085.db2.gz ZKLWXODZKVRLCH-BPQIPLTHSA-N 2 0 333.476 1.719 20 0 EDADRP C[NH+]1CCC(CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000376048413 447235222 /nfs/dbraw/zinc/23/52/22/447235222.db2.gz YOOXBEUAWIQYJV-UHFFFAOYSA-N 2 0 348.495 2.003 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369046179 447284523 /nfs/dbraw/zinc/28/45/23/447284523.db2.gz DCXBQPMXHIARBD-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000369046246 447285193 /nfs/dbraw/zinc/28/51/93/447285193.db2.gz FDKKZRIRRFMRQN-ZACQAIPSSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000369046802 447285956 /nfs/dbraw/zinc/28/59/56/447285956.db2.gz ITDBDANJKBFKQZ-VYDXJSESSA-N 2 0 338.496 1.269 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)cn1C ZINC000377648715 447271019 /nfs/dbraw/zinc/27/10/19/447271019.db2.gz LKKMLKVCFODQKD-HYVNUMGLSA-N 2 0 349.475 1.791 20 0 EDADRP COC[C@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000379673178 447453231 /nfs/dbraw/zinc/45/32/31/447453231.db2.gz PJEUWVKZFORGNZ-LPHOPBHVSA-N 2 0 333.476 1.639 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379682560 447453619 /nfs/dbraw/zinc/45/36/19/447453619.db2.gz XVYSCZTVCMUEBT-AEFFLSMTSA-N 2 0 330.476 1.061 20 0 EDADRP COCC1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000381175965 447458950 /nfs/dbraw/zinc/45/89/50/447458950.db2.gz ZVYLWVNVZGRHQZ-SFHVURJKSA-N 2 0 345.487 1.641 20 0 EDADRP COCCOC[C@H](O)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000450345910 447462689 /nfs/dbraw/zinc/46/26/89/447462689.db2.gz CIRBZMBODUTXLN-QZTJIDSGSA-N 2 0 328.497 1.598 20 0 EDADRP CCN(C(=O)C(=O)NCC[NH2+]C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419897542 447476413 /nfs/dbraw/zinc/47/64/13/447476413.db2.gz OLHNHMYCVGPWDZ-WBVHZDCISA-N 2 0 346.475 1.006 20 0 EDADRP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000426938667 447518936 /nfs/dbraw/zinc/51/89/36/447518936.db2.gz BIUQNEKECTVNRA-MAUKXSAKSA-N 2 0 334.508 1.240 20 0 EDADRP COCCN1CC[C@H]([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000495755651 447580737 /nfs/dbraw/zinc/58/07/37/447580737.db2.gz WLYALPROHPVECO-ILXRZTDVSA-N 2 0 329.485 1.989 20 0 EDADRP C[C@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399232758 447564086 /nfs/dbraw/zinc/56/40/86/447564086.db2.gz GYWSOYBVQCUHDV-GJZGRUSLSA-N 2 0 341.496 1.821 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@@H](C)[NH2+]C)CC1 ZINC000420153007 447641034 /nfs/dbraw/zinc/64/10/34/447641034.db2.gz ZOWQIOMDKAFIPO-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000420111438 447609052 /nfs/dbraw/zinc/60/90/52/447609052.db2.gz CKKWJARZAYJIHF-KEYYUXOJSA-N 2 0 344.459 1.018 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000416853583 447697077 /nfs/dbraw/zinc/69/70/77/447697077.db2.gz OGVAQFZXOPSBNG-RHSMWYFYSA-N 2 0 334.464 1.821 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000416870657 447700823 /nfs/dbraw/zinc/70/08/23/447700823.db2.gz OJWUUBGWMHFAON-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)CC1 ZINC000427914053 447668606 /nfs/dbraw/zinc/66/86/06/447668606.db2.gz PTTPNKGZIGKHAR-INIZCTEOSA-N 2 0 337.508 1.819 20 0 EDADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422713845 447725377 /nfs/dbraw/zinc/72/53/77/447725377.db2.gz KIPVMBXJVVYADT-ROUUACIJSA-N 3 0 346.523 1.499 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422722961 447729164 /nfs/dbraw/zinc/72/91/64/447729164.db2.gz ZFFCCXRHWGVAHD-AEFFLSMTSA-N 2 0 335.492 1.874 20 0 EDADRP COc1ccc([C@H](NC[C@H](C)N2CC[NH+](C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422733672 447733399 /nfs/dbraw/zinc/73/33/99/447733399.db2.gz BSJHWWNKUZFBQO-VDGAXYAQSA-N 2 0 346.519 1.714 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000422776389 447747600 /nfs/dbraw/zinc/74/76/00/447747600.db2.gz ALIITCCDTKQERT-RBUKOAKNSA-N 2 0 335.492 1.712 20 0 EDADRP O=C(NCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422813288 447756474 /nfs/dbraw/zinc/75/64/74/447756474.db2.gz ZHFOYNROOXAEGO-BEFAXECRSA-N 2 0 341.411 1.855 20 0 EDADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])cc1OC ZINC000422829313 447762881 /nfs/dbraw/zinc/76/28/81/447762881.db2.gz BSOMAUUQNSZWGS-AEGPPILISA-N 2 0 338.448 1.944 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000422933129 447776054 /nfs/dbraw/zinc/77/60/54/447776054.db2.gz HCAVVSMBSRXLRG-HOTGVXAUSA-N 2 0 325.478 1.213 20 0 EDADRP COc1ccc([C@@H](NCC2CC[NH+](CCO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422973080 447784600 /nfs/dbraw/zinc/78/46/00/447784600.db2.gz BDZCXXYHUNDVKM-WOJBJXKFSA-N 2 0 347.503 1.782 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000422989038 447788120 /nfs/dbraw/zinc/78/81/20/447788120.db2.gz LLGWHGQVGVGEDM-NWDGAFQWSA-N 2 0 327.375 1.414 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(N(C)C)n2)CC[NH2+]CC1 ZINC000423009103 447791004 /nfs/dbraw/zinc/79/10/04/447791004.db2.gz CEIYROGSYMFVOF-CQSZACIVSA-N 2 0 334.464 1.559 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2nnc(C(C)C)[nH]2)CC[NH2+]CC1 ZINC000423025494 447793238 /nfs/dbraw/zinc/79/32/38/447793238.db2.gz OLUBWHHKAFVNFW-OLZOCXBDSA-N 2 0 337.468 1.900 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000451995440 447798731 /nfs/dbraw/zinc/79/87/31/447798731.db2.gz WTVSCSLVWHWIKY-IRXDYDNUSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423052648 447798779 /nfs/dbraw/zinc/79/87/79/447798779.db2.gz QFTOFCABJWKUIH-ZDUSSCGKSA-N 2 0 343.468 1.973 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522879936 447861053 /nfs/dbraw/zinc/86/10/53/447861053.db2.gz KALGSHDFQFMTEJ-IAGOWNOFSA-N 2 0 328.460 1.647 20 0 EDADRP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000496771545 447899182 /nfs/dbraw/zinc/89/91/82/447899182.db2.gz CQRYODUPTAMLSM-CQSZACIVSA-N 2 0 341.500 1.747 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574992 447916875 /nfs/dbraw/zinc/91/68/75/447916875.db2.gz QAYZLEHLTWORFK-UYAOXDASSA-N 2 0 345.487 1.470 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@H]3OCC[NH2+][C@H]3C2)cc1)C1CC1 ZINC000575871495 447918285 /nfs/dbraw/zinc/91/82/85/447918285.db2.gz FGQOPJCZZYTMOQ-OALUTQOASA-N 2 0 343.471 1.874 20 0 EDADRP CC(C)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000576210411 447999936 /nfs/dbraw/zinc/99/99/36/447999936.db2.gz KKUVALUKHZAJOB-GOSISDBHSA-N 2 0 345.491 1.683 20 0 EDADRP Cc1cc(OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1Cl ZINC000531118394 448021558 /nfs/dbraw/zinc/02/15/58/448021558.db2.gz UBNQGQABIWBDEA-UHFFFAOYSA-N 2 0 341.883 1.979 20 0 EDADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)oc2c1C(=O)CCC2 ZINC000531118487 448021898 /nfs/dbraw/zinc/02/18/98/448021898.db2.gz FYRAMFZTFIUDHE-UHFFFAOYSA-N 2 0 335.448 1.672 20 0 EDADRP CC[C@H](C)NC(=O)c1cccc(CNC[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000576321651 448025854 /nfs/dbraw/zinc/02/58/54/448025854.db2.gz RRKDOFVAHOYDOR-KBXCAEBGSA-N 2 0 333.476 1.760 20 0 EDADRP COc1cnccc1[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525852725 448039720 /nfs/dbraw/zinc/03/97/20/448039720.db2.gz JZWBQYJGEPHAMB-AWEZNQCLSA-N 2 0 337.468 1.286 20 0 EDADRP CC(C)CN(C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CC[NH+](C)CC1 ZINC000570451847 448017378 /nfs/dbraw/zinc/01/73/78/448017378.db2.gz BFCCKINLTQJUTM-CQSZACIVSA-N 2 0 333.480 1.679 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000526041169 448085453 /nfs/dbraw/zinc/08/54/53/448085453.db2.gz WJPGDEUNZUZNED-LSDHHAIUSA-N 2 0 339.505 1.943 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)[NH+](C)C1 ZINC000501768961 448097567 /nfs/dbraw/zinc/09/75/67/448097567.db2.gz FZPUZFPTSQCTQE-UGUYLWEFSA-N 2 0 326.485 1.076 20 0 EDADRP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CCCN(CCCO)C2)C1 ZINC000497046907 448154416 /nfs/dbraw/zinc/15/44/16/448154416.db2.gz VIEDCYYDLXMIID-WLYUNCDWSA-N 2 0 327.469 1.479 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3cccnc3)C2)CC1 ZINC000576763285 448133935 /nfs/dbraw/zinc/13/39/35/448133935.db2.gz HPVMEHVCFRVHSQ-GOSISDBHSA-N 2 0 345.491 1.511 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000571303908 448134149 /nfs/dbraw/zinc/13/41/49/448134149.db2.gz HFWRDONXTVGJAP-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882835 448143616 /nfs/dbraw/zinc/14/36/16/448143616.db2.gz KOQFVRMUHRKREN-JTHGQSKGSA-N 2 0 337.508 1.844 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cc1c[nH]cn1 ZINC000571580495 448175560 /nfs/dbraw/zinc/17/55/60/448175560.db2.gz XVYHFMMWTMFLMX-NVXWUHKLSA-N 2 0 335.496 1.463 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000531964782 448176249 /nfs/dbraw/zinc/17/62/49/448176249.db2.gz IXMMEMKPGHVTLV-LYMQGIMYSA-N 2 0 344.459 1.560 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000557044405 448177605 /nfs/dbraw/zinc/17/76/05/448177605.db2.gz QKHLGHLFNMQJJQ-GASCZTMLSA-N 2 0 346.475 1.953 20 0 EDADRP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000514855959 448215163 /nfs/dbraw/zinc/21/51/63/448215163.db2.gz IASGCODUDQIVIX-VKJFTORMSA-N 2 0 339.455 1.100 20 0 EDADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@@H]1CO ZINC000514912059 448222011 /nfs/dbraw/zinc/22/20/11/448222011.db2.gz HBGSSRZBPQBFHA-FDCRZUCXSA-N 2 0 333.476 1.487 20 0 EDADRP CCC1(C[NH2+]CCC(=O)NC(N)=O)CC[NH+](Cc2ccccc2)CC1 ZINC000572028888 448267506 /nfs/dbraw/zinc/26/75/06/448267506.db2.gz JWPSJQJMOPADFR-UHFFFAOYSA-N 2 0 346.475 1.853 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056820 448250888 /nfs/dbraw/zinc/25/08/88/448250888.db2.gz KJXUCARNSFNVHO-CVEARBPZSA-N 2 0 328.501 1.421 20 0 EDADRP C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[NH+]1CCCC1 ZINC000577266477 448251008 /nfs/dbraw/zinc/25/10/08/448251008.db2.gz QRSYTQWJUGJORD-HOCLYGCPSA-N 2 0 325.522 1.804 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000577306264 448262837 /nfs/dbraw/zinc/26/28/37/448262837.db2.gz WCOYKUPPOSKANR-SFHVURJKSA-N 2 0 338.540 1.103 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000582723495 448321955 /nfs/dbraw/zinc/32/19/55/448321955.db2.gz HJFOIDBVRTVSSS-WBVHZDCISA-N 2 0 333.480 1.612 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603430 448339021 /nfs/dbraw/zinc/33/90/21/448339021.db2.gz CLTULZXYAHRZSW-OALUTQOASA-N 2 0 348.487 1.655 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000572282927 448337040 /nfs/dbraw/zinc/33/70/40/448337040.db2.gz WQXNFYWBDKXQQG-KRWDZBQOSA-N 2 0 332.448 1.009 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577831573 448396241 /nfs/dbraw/zinc/39/62/41/448396241.db2.gz CMVDDJMOAAPMOP-NUJGCVRESA-N 2 0 330.476 1.806 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572498793 448396281 /nfs/dbraw/zinc/39/62/81/448396281.db2.gz NPPMLSFHFPKBRX-CEXWTWQISA-N 2 0 342.487 1.948 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000572596065 448416567 /nfs/dbraw/zinc/41/65/67/448416567.db2.gz FNQATNRBFSRNSN-MAUKXSAKSA-N 2 0 334.460 1.813 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000572647608 448432150 /nfs/dbraw/zinc/43/21/50/448432150.db2.gz UCPAGDTZSLLMNF-FGTMMUONSA-N 2 0 349.475 1.189 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000572845370 448478817 /nfs/dbraw/zinc/47/88/17/448478817.db2.gz PLUDNGCUJPOSBI-HDICACEKSA-N 2 0 330.476 1.178 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000516973653 448512846 /nfs/dbraw/zinc/51/28/46/448512846.db2.gz WLBHIEAKCALRCK-GUDVDZBRSA-N 2 0 345.487 1.734 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000566627426 448524367 /nfs/dbraw/zinc/52/43/67/448524367.db2.gz VADKGOWNGSALJC-UHFFFAOYSA-N 2 0 330.476 1.134 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497659 448560612 /nfs/dbraw/zinc/56/06/12/448560612.db2.gz RUUPTNCJNBAONW-SJORKVTESA-N 2 0 345.491 1.098 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@]2(C)CCCc3ccccc32)CC1 ZINC000578521720 448569617 /nfs/dbraw/zinc/56/96/17/448569617.db2.gz JPPOJXTYKCLYDE-QUCCMNQESA-N 2 0 331.504 1.479 20 0 EDADRP CCC[N@H+](C)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000517370079 448576038 /nfs/dbraw/zinc/57/60/38/448576038.db2.gz GNRJXDNPMNEZKO-SFHVURJKSA-N 2 0 332.492 1.433 20 0 EDADRP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)cc(NC[C@@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536987871 448548369 /nfs/dbraw/zinc/54/83/69/448548369.db2.gz OVJVILWESPPLJM-CALCHBBNSA-N 3 0 346.523 2.292 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1 ZINC000584516020 448552876 /nfs/dbraw/zinc/55/28/76/448552876.db2.gz WYLVJQWVRLQPPF-UHFFFAOYSA-N 2 0 349.519 1.364 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000573407132 448618551 /nfs/dbraw/zinc/61/85/51/448618551.db2.gz FPMPPNCDLODPAA-SJLPKXTDSA-N 2 0 337.508 1.747 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000573278510 448586537 /nfs/dbraw/zinc/58/65/37/448586537.db2.gz AZFQSRYLTIQGMQ-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000566981179 448596778 /nfs/dbraw/zinc/59/67/78/448596778.db2.gz ZYWNRHHXUSVSAG-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000573318331 448596797 /nfs/dbraw/zinc/59/67/97/448596797.db2.gz WDENHQKRJPXPKP-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000578745286 448625308 /nfs/dbraw/zinc/62/53/08/448625308.db2.gz MONNMXOFLQNPFL-DOTOQJQBSA-N 2 0 339.867 1.685 20 0 EDADRP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(OCC2CC2)c1 ZINC000518169570 448650457 /nfs/dbraw/zinc/65/04/57/448650457.db2.gz YEPFVIXLTRKTSM-LJQANCHMSA-N 2 0 347.503 1.482 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000518179381 448652009 /nfs/dbraw/zinc/65/20/09/448652009.db2.gz ZJWAYMVCMQMPNU-CQSZACIVSA-N 2 0 329.510 1.041 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(=O)N(C)C ZINC000518217488 448657336 /nfs/dbraw/zinc/65/73/36/448657336.db2.gz SLWDTPRUAMNSDR-LSDHHAIUSA-N 2 0 335.448 1.522 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCN(C)[C@H](Cc2ccccc2)C1 ZINC000517900587 448627768 /nfs/dbraw/zinc/62/77/68/448627768.db2.gz BBLQQVZQYBGDAG-GOSISDBHSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)Nc1cccc(Oc2ccncc2)c1 ZINC000528683576 448628379 /nfs/dbraw/zinc/62/83/79/448628379.db2.gz YADDSEIVTMBESD-CQSZACIVSA-N 2 0 328.372 1.984 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000517922897 448630305 /nfs/dbraw/zinc/63/03/05/448630305.db2.gz YJHWXHZCHOIBNO-QYZOEREBSA-N 2 0 333.476 1.105 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000518393633 448673979 /nfs/dbraw/zinc/67/39/79/448673979.db2.gz GVCDWKAPYRRILQ-UHFFFAOYSA-N 2 0 333.476 1.585 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000578767852 448633214 /nfs/dbraw/zinc/63/32/14/448633214.db2.gz ZWCOOPCQPRBRSK-JKSUJKDBSA-N 2 0 340.512 1.646 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000567592261 448719267 /nfs/dbraw/zinc/71/92/67/448719267.db2.gz UCPAGDTZSLLMNF-RCCFBDPRSA-N 2 0 349.475 1.189 20 0 EDADRP CN1CC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000567377008 448680725 /nfs/dbraw/zinc/68/07/25/448680725.db2.gz GVFYPGIIEKINOK-ZSZQSSIHSA-N 2 0 329.444 1.700 20 0 EDADRP CN1CCN(C(=O)NCc2cc(Cl)cc3c2OCC3)[C@@H](C[NH3+])C1 ZINC000579332470 448767680 /nfs/dbraw/zinc/76/76/80/448767680.db2.gz IBCQIRJCZXLBKR-AWEZNQCLSA-N 2 0 338.839 1.059 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000519120144 448742912 /nfs/dbraw/zinc/74/29/12/448742912.db2.gz SXVTXGADQWMNPN-RYRKJORJSA-N 2 0 330.476 1.948 20 0 EDADRP c1ccc2nc(NCC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000579221198 448743021 /nfs/dbraw/zinc/74/30/21/448743021.db2.gz MYGUNUTXSHHTRC-NZSAHSFTSA-N 2 0 340.471 2.393 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000574056483 448782297 /nfs/dbraw/zinc/78/22/97/448782297.db2.gz NRGACBWJVLDGQM-MAUKXSAKSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000574195366 448814611 /nfs/dbraw/zinc/81/46/11/448814611.db2.gz UZJXUWCBJBWPRX-BRSBDYLESA-N 2 0 327.513 1.311 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)cc2C1 ZINC000568271021 448847888 /nfs/dbraw/zinc/84/78/88/448847888.db2.gz PGSWFJSEMKZWDN-KSSFIOAISA-N 2 0 344.459 1.480 20 0 EDADRP C[C@H](c1ccsc1)N1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529378092 448849344 /nfs/dbraw/zinc/84/93/44/448849344.db2.gz TXFLRRVWAVTCBT-UKRRQHHQSA-N 2 0 338.477 1.125 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000579814595 448882626 /nfs/dbraw/zinc/88/26/26/448882626.db2.gz WTPHHKQNGMQRMS-KRWDZBQOSA-N 2 0 346.475 1.111 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](OCC(F)(F)F)C2)C1 ZINC000579928378 448911335 /nfs/dbraw/zinc/91/13/35/448911335.db2.gz JGZMPIVAZFFGFT-STQMWFEESA-N 2 0 337.386 1.227 20 0 EDADRP C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCC[NH2+]C1 ZINC000574683611 448932109 /nfs/dbraw/zinc/93/21/09/448932109.db2.gz UUPDJOZZHCVTGH-CABCVRRESA-N 2 0 336.480 1.609 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)c21 ZINC000592540931 448888541 /nfs/dbraw/zinc/88/85/41/448888541.db2.gz WMUKUFHTHLAVSL-YPMHNXCESA-N 2 0 340.431 1.183 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000520393228 448891186 /nfs/dbraw/zinc/89/11/86/448891186.db2.gz XGNZDBDLSYCIOI-LEAZDLGRSA-N 2 0 347.503 1.619 20 0 EDADRP Cc1nc2c(n1CCO)CC[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C2 ZINC000521445245 448987666 /nfs/dbraw/zinc/98/76/66/448987666.db2.gz GJYZZRHXLLSAMU-YDHLFZDLSA-N 2 0 334.464 1.030 20 0 EDADRP C[C@H]1CN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC[N@@H+](C2CCC2)C1 ZINC000581406988 448974098 /nfs/dbraw/zinc/97/40/98/448974098.db2.gz NBPDETIWMBLZME-OAHLLOKOSA-N 2 0 348.495 1.783 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000582057920 448999763 /nfs/dbraw/zinc/99/97/63/448999763.db2.gz KGGDQWJBISCGIR-RBUKOAKNSA-N 2 0 349.519 1.598 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@@H]1Cc2ccccc2O1 ZINC000569337161 449006155 /nfs/dbraw/zinc/00/61/55/449006155.db2.gz GSYUMTCLQSZJBM-FGTMMUONSA-N 2 0 343.471 1.570 20 0 EDADRP Cc1cccn2c(=O)cc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)nc12 ZINC000569341412 449006577 /nfs/dbraw/zinc/00/65/77/449006577.db2.gz WOJYUTQZHKYBAC-AEFFLSMTSA-N 2 0 342.443 1.331 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccs1 ZINC000592955029 449075030 /nfs/dbraw/zinc/07/50/30/449075030.db2.gz IBDNAZYMYGKEIO-TZMCWYRMSA-N 2 0 347.488 1.813 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccsc1 ZINC000592956373 449076453 /nfs/dbraw/zinc/07/64/53/449076453.db2.gz FZGVVLQRSIGHSZ-SWLSCSKDSA-N 2 0 347.488 1.813 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592957876 449079775 /nfs/dbraw/zinc/07/97/75/449079775.db2.gz RBHYUKXRWOVUHS-INIZCTEOSA-N 2 0 347.507 1.912 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000530231732 449089129 /nfs/dbraw/zinc/08/91/29/449089129.db2.gz LHKCUKTTXKASPN-GOSISDBHSA-N 2 0 347.503 1.924 20 0 EDADRP COC(=O)[C@H]1C[C@@H]([NH+](C)C/C=C\C[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851066 449206412 /nfs/dbraw/zinc/20/64/12/449206412.db2.gz UQSPQLKYEIAWLS-RNDSNWHESA-N 2 0 338.448 1.309 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccccc2C[NH2+]C)CC[NH2+]CC1 ZINC000593324705 449226911 /nfs/dbraw/zinc/22/69/11/449226911.db2.gz YPSKTGRKZLUSFK-OAHLLOKOSA-N 3 0 333.476 1.817 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@H]3CC[NH+]4CCC[C@@H]4C3)CC2)C1 ZINC000604640300 449267045 /nfs/dbraw/zinc/26/70/45/449267045.db2.gz YATBNVWJMOYRMC-KSZLIROESA-N 2 0 349.523 1.035 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602007017 449271938 /nfs/dbraw/zinc/27/19/38/449271938.db2.gz UTFDGPUOECPVFW-UHFFFAOYSA-N 2 0 336.480 1.319 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000590786199 449295301 /nfs/dbraw/zinc/29/53/01/449295301.db2.gz HGVRHYGRVZDDQG-INIZCTEOSA-N 2 0 327.513 1.970 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@H]3CCC[N@H+](CC4CC4)C3)c21 ZINC000595991758 449300461 /nfs/dbraw/zinc/30/04/61/449300461.db2.gz JYTYSPPTPVLTSY-CVEARBPZSA-N 2 0 345.491 1.571 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000590819034 449307532 /nfs/dbraw/zinc/30/75/32/449307532.db2.gz UYGGILLXODPTOC-QZTJIDSGSA-N 2 0 328.497 1.595 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)c21 ZINC000595962730 449284531 /nfs/dbraw/zinc/28/45/31/449284531.db2.gz UDBOGJPSKYHDFA-JKSUJKDBSA-N 2 0 345.491 1.571 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)ccn2)CC1 ZINC000617014924 449430331 /nfs/dbraw/zinc/43/03/31/449430331.db2.gz QXMAVSNSRCMARG-INIZCTEOSA-N 2 0 345.491 1.436 20 0 EDADRP C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000606640103 449495885 /nfs/dbraw/zinc/49/58/85/449495885.db2.gz GQSNZUQTEHDVFT-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000602332823 449522225 /nfs/dbraw/zinc/52/22/25/449522225.db2.gz XLMATSRTGGPHLA-HNNXBMFYSA-N 2 0 345.491 1.294 20 0 EDADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000614336601 449565908 /nfs/dbraw/zinc/56/59/08/449565908.db2.gz ZJPRSDJLBIZYCF-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602466241 449612319 /nfs/dbraw/zinc/61/23/19/449612319.db2.gz BHMWGEYGBJHYLT-NPMXOYFQSA-N 2 0 343.537 1.115 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602469275 449616095 /nfs/dbraw/zinc/61/60/95/449616095.db2.gz PWHWXRUIDZGUHJ-FATZIPQQSA-N 2 0 343.537 1.114 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)on1 ZINC000602571313 449681285 /nfs/dbraw/zinc/68/12/85/449681285.db2.gz ZRZYCUOVURHMLW-UHFFFAOYSA-N 2 0 325.409 1.176 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000612331495 449646932 /nfs/dbraw/zinc/64/69/32/449646932.db2.gz IXGOXTKKIFYOPP-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]Cc3cn[nH]c3)c2)C1 ZINC000594786707 449696546 /nfs/dbraw/zinc/69/65/46/449696546.db2.gz SGAGAIZPSFGWES-QGZVFWFLSA-N 2 0 327.432 1.397 20 0 EDADRP COC(=O)CC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000599026205 449703873 /nfs/dbraw/zinc/70/38/73/449703873.db2.gz CUPJUTVLYKFBRV-OFLPRAFFSA-N 2 0 326.481 1.935 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C1 ZINC000601265337 449785036 /nfs/dbraw/zinc/78/50/36/449785036.db2.gz OKVVVWFQSGHXHW-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH+]1C1CC1 ZINC000617703196 449748599 /nfs/dbraw/zinc/74/85/99/449748599.db2.gz DGPKPUHOQMSNAJ-RTBURBONSA-N 2 0 343.471 1.496 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601248583 449773095 /nfs/dbraw/zinc/77/30/95/449773095.db2.gz MIDFNIBLPYHJHO-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000594926610 449810362 /nfs/dbraw/zinc/81/03/62/449810362.db2.gz UKJCHWSOCNKWCH-AYOQOUSVSA-N 2 0 345.487 1.721 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617765906 449827242 /nfs/dbraw/zinc/82/72/42/449827242.db2.gz VOWQDMAIAMFFJC-KRWDZBQOSA-N 2 0 338.540 1.641 20 0 EDADRP CCOC(=O)c1nn(C)cc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000597248412 449895231 /nfs/dbraw/zinc/89/52/31/449895231.db2.gz UMBFAASPORKJJN-UHFFFAOYSA-N 2 0 334.464 1.808 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612863358 449915635 /nfs/dbraw/zinc/91/56/35/449915635.db2.gz DLMRZLYXWIQMSN-LJQANCHMSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@@]1(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000612868411 449918409 /nfs/dbraw/zinc/91/84/09/449918409.db2.gz UFIYXVYKQLXSDR-LJQANCHMSA-N 2 0 345.491 1.250 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000608712226 449918661 /nfs/dbraw/zinc/91/86/61/449918661.db2.gz PARPSHHYEVTGGU-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612962339 449958670 /nfs/dbraw/zinc/95/86/70/449958670.db2.gz GOTGAHBOZVLZTF-KRWDZBQOSA-N 2 0 328.460 1.486 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476981 450000278 /nfs/dbraw/zinc/00/02/78/450000278.db2.gz NKEDHMWMDNPQJA-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)cn1 ZINC000615268171 450030773 /nfs/dbraw/zinc/03/07/73/450030773.db2.gz UHYDVNYLWHNZJZ-IRXDYDNUSA-N 2 0 332.448 1.078 20 0 EDADRP C[NH+](C)CC1CN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C1 ZINC000615505939 450118538 /nfs/dbraw/zinc/11/85/38/450118538.db2.gz MSLFEDDQZXKDBD-IBGZPJMESA-N 2 0 329.488 1.961 20 0 EDADRP CN1Cc2ccccc2[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1=O ZINC000623237234 450460505 /nfs/dbraw/zinc/46/05/05/450460505.db2.gz UKSVQKRFPQZMNR-HKUYNNGSSA-N 2 0 343.471 1.933 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000616782382 450483792 /nfs/dbraw/zinc/48/37/92/450483792.db2.gz DEKJEZUWPCLMGN-YHUYYLMFSA-N 2 0 340.512 1.210 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH2+]1 ZINC000621151832 450599957 /nfs/dbraw/zinc/59/99/57/450599957.db2.gz JITQKOGRVGWTAT-ZWKOTPCHSA-N 2 0 330.476 1.750 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@H]2C)c1 ZINC000633034701 450630124 /nfs/dbraw/zinc/63/01/24/450630124.db2.gz DGCIDGRSAZAPAS-UKRRQHHQSA-N 2 0 332.448 1.415 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000633031350 450626672 /nfs/dbraw/zinc/62/66/72/450626672.db2.gz KAFMLIBAGANDPV-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1CO ZINC000621372346 450706062 /nfs/dbraw/zinc/70/60/62/450706062.db2.gz UEVZGKXULOTLGU-NXHRZFHOSA-N 2 0 333.476 1.356 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@@H]21 ZINC000624116970 450712299 /nfs/dbraw/zinc/71/22/99/450712299.db2.gz CNWKGAIERSXXSP-UGUYLWEFSA-N 2 0 341.463 1.165 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524540 450724521 /nfs/dbraw/zinc/72/45/21/450724521.db2.gz RTODJVQQGJKVMZ-OAGGEKHMSA-N 2 0 343.479 1.603 20 0 EDADRP CN1CCO[C@H]([C@@H]([NH2+]CCOCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000629541120 450726808 /nfs/dbraw/zinc/72/68/08/450726808.db2.gz XKFXUZUZGQMSNI-IRXDYDNUSA-N 2 0 341.883 1.667 20 0 EDADRP C[N@H+](CCOCC[NH3+])[C@@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000629578935 450745485 /nfs/dbraw/zinc/74/54/85/450745485.db2.gz XYQNUSBGZUMSLM-MRXNPFEDSA-N 2 0 341.402 1.363 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CN(c2ccncn2)C1 ZINC000631746840 450747794 /nfs/dbraw/zinc/74/77/94/450747794.db2.gz TYOMBNQMTOXZSQ-YJBOKZPZSA-N 2 0 338.459 1.560 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC[N@@H+]3CC[C@@H](O)C3)ccc21 ZINC000626579612 450809709 /nfs/dbraw/zinc/80/97/09/450809709.db2.gz CZMGKJCDEOFOLL-WBVHZDCISA-N 2 0 332.448 1.424 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)c1nc(N)[nH+]c(N)n1 ZINC000624395726 450830182 /nfs/dbraw/zinc/83/01/82/450830182.db2.gz LIZSIETWQQDINM-UHFFFAOYSA-N 2 0 349.870 1.699 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000629964590 450922848 /nfs/dbraw/zinc/92/28/48/450922848.db2.gz KARPSRLIQHAZRD-UHFFFAOYSA-N 2 0 345.447 1.348 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+]C[C@@H]2C(C)C)ccc1C[NH+](C)C ZINC000626846276 450952332 /nfs/dbraw/zinc/95/23/32/450952332.db2.gz CTBQPDVTXFGTCM-QGZVFWFLSA-N 2 0 346.475 1.452 20 0 EDADRP CCOc1cc2[nH+]ccc(NCC[N@@H+]3CC[C@H](O)C3)c2cc1OCC ZINC000624774544 450991357 /nfs/dbraw/zinc/99/13/57/450991357.db2.gz QXMUSBYWVOJOGQ-AWEZNQCLSA-N 2 0 345.443 1.933 20 0 EDADRP C[C@@](O)(C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000630043804 450977972 /nfs/dbraw/zinc/97/79/72/450977972.db2.gz YFLQDJMCNRDHCD-IEBWSBKVSA-N 2 0 340.508 1.475 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635505020 450999289 /nfs/dbraw/zinc/99/92/89/450999289.db2.gz GOQSYISYABSLCZ-QGZVFWFLSA-N 2 0 335.492 1.765 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000626916569 451002653 /nfs/dbraw/zinc/00/26/53/451002653.db2.gz KUZUBEHHKJVJAV-QGZVFWFLSA-N 2 0 334.464 1.440 20 0 EDADRP CN(CCOCC[NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934711 451017715 /nfs/dbraw/zinc/01/77/15/451017715.db2.gz LZCMDELNBRMAFS-KRWDZBQOSA-N 2 0 334.464 1.440 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626947527 451026316 /nfs/dbraw/zinc/02/63/16/451026316.db2.gz UTFFTLZJUOSRQC-IYBDPMFKSA-N 2 0 342.528 1.620 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626966468 451038970 /nfs/dbraw/zinc/03/89/70/451038970.db2.gz VRAUJANPDQDGDJ-NVXWUHKLSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000626994795 451061053 /nfs/dbraw/zinc/06/10/53/451061053.db2.gz KBGDJJOUOQKAOX-AEFFLSMTSA-N 2 0 348.491 1.575 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011875 451075531 /nfs/dbraw/zinc/07/55/31/451075531.db2.gz LWLTXRCISBVXJD-HUUCEWRRSA-N 2 0 338.496 1.447 20 0 EDADRP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627012380 451077345 /nfs/dbraw/zinc/07/73/45/451077345.db2.gz ZBGAFJCQOGGNSD-HUUCEWRRSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627012723 451077460 /nfs/dbraw/zinc/07/74/60/451077460.db2.gz HHMJGWJKRLZYDG-NVXWUHKLSA-N 2 0 334.464 1.124 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627038493 451095540 /nfs/dbraw/zinc/09/55/40/451095540.db2.gz MULRKGWNJPWJQI-DOTOQJQBSA-N 2 0 340.512 1.515 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@H](C)C1 ZINC000626981239 451049682 /nfs/dbraw/zinc/04/96/82/451049682.db2.gz ZEKQZKKZRUWRRG-QKPAOTATSA-N 2 0 326.485 1.173 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627093778 451121081 /nfs/dbraw/zinc/12/10/81/451121081.db2.gz SMQUXUFTJBBOSW-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632216871 451122290 /nfs/dbraw/zinc/12/22/90/451122290.db2.gz OEYPZRATDOADKU-WBVHZDCISA-N 2 0 339.505 1.378 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114127 451130302 /nfs/dbraw/zinc/13/03/02/451130302.db2.gz YQEPYZAHIMVGLI-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)C1 ZINC000627126637 451139983 /nfs/dbraw/zinc/13/99/83/451139983.db2.gz HUEQYCCKGANLCG-XUWVNRHRSA-N 2 0 336.480 1.199 20 0 EDADRP CN(C(=O)NCC1([NH3+])CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627152234 451150642 /nfs/dbraw/zinc/15/06/42/451150642.db2.gz UPQVECJWONWYSS-KRWDZBQOSA-N 2 0 346.475 1.410 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000627176452 451165692 /nfs/dbraw/zinc/16/56/92/451165692.db2.gz UZJTVIRJCINXEU-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000635688755 451171594 /nfs/dbraw/zinc/17/15/94/451171594.db2.gz IGRAVMMRCHFOOG-MSOLQXFVSA-N 2 0 331.460 1.006 20 0 EDADRP O=C(NCC[NH+]1CCC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635724069 451199875 /nfs/dbraw/zinc/19/98/75/451199875.db2.gz JFTFRMOLHOMTHU-UYAOXDASSA-N 2 0 343.471 1.347 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000627240776 451204819 /nfs/dbraw/zinc/20/48/19/451204819.db2.gz XSSOAYAAIFAKEJ-GOEBONIOSA-N 2 0 327.432 1.823 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000627245590 451206196 /nfs/dbraw/zinc/20/61/96/451206196.db2.gz IATITHGPGBXBPM-WCQYABFASA-N 2 0 336.402 1.795 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000635743491 451212870 /nfs/dbraw/zinc/21/28/70/451212870.db2.gz OWOCHVSQOZBGHK-QYZOEREBSA-N 2 0 345.487 1.327 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[NH2+]CCO1 ZINC000638090756 451256406 /nfs/dbraw/zinc/25/64/06/451256406.db2.gz YDJOAXAAPIGEII-KRWDZBQOSA-N 2 0 335.473 1.552 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000638099615 451265795 /nfs/dbraw/zinc/26/57/95/451265795.db2.gz HXODXZDRMDCVTQ-SIXWZSSISA-N 2 0 333.476 1.999 20 0 EDADRP [NH3+][C@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(Br)cc1 ZINC000630605531 451272324 /nfs/dbraw/zinc/27/23/24/451272324.db2.gz KYIHLQMHCYHLKA-JSGCOSHPSA-N 2 0 336.237 1.841 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638110822 451278041 /nfs/dbraw/zinc/27/80/41/451278041.db2.gz IRRRSZFFHUHJRK-ICSRJNTNSA-N 2 0 345.487 1.722 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000638120669 451289580 /nfs/dbraw/zinc/28/95/80/451289580.db2.gz BKRDFNSLOAKKHW-UWWQBHOKSA-N 2 0 333.476 1.896 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000638124668 451295468 /nfs/dbraw/zinc/29/54/68/451295468.db2.gz GHQQUXBDCXBYOU-QGZVFWFLSA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638126298 451297325 /nfs/dbraw/zinc/29/73/25/451297325.db2.gz SXNLAHIZGXUFPB-OALUTQOASA-N 2 0 346.519 1.636 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638127626 451298528 /nfs/dbraw/zinc/29/85/28/451298528.db2.gz WXTCSKWZAGMBCZ-IEBWSBKVSA-N 2 0 331.460 1.475 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638138509 451313018 /nfs/dbraw/zinc/31/30/18/451313018.db2.gz CIZROOCJJPNFTM-INIZCTEOSA-N 2 0 344.459 1.299 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142492 451316658 /nfs/dbraw/zinc/31/66/58/451316658.db2.gz CHWNXTOEOIRNRK-QYZOEREBSA-N 2 0 344.503 1.436 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)c1 ZINC000638223317 451365379 /nfs/dbraw/zinc/36/53/79/451365379.db2.gz JPPMSNMSSVKQIJ-INIZCTEOSA-N 2 0 343.402 1.989 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638232809 451372155 /nfs/dbraw/zinc/37/21/55/451372155.db2.gz DOMZXXDLZWIJKA-KVSKMBFKSA-N 2 0 331.460 1.521 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638271273 451390785 /nfs/dbraw/zinc/39/07/85/451390785.db2.gz OAIJGOWXEORJBP-SFHVURJKSA-N 2 0 332.492 1.435 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000638287955 451405311 /nfs/dbraw/zinc/40/53/11/451405311.db2.gz YEYFJOJVUBJOPM-MXSMSXNCSA-N 2 0 333.476 1.718 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000638307451 451420828 /nfs/dbraw/zinc/42/08/28/451420828.db2.gz FAFRJIHBRWCLIL-IEBWSBKVSA-N 2 0 327.472 1.818 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634643107 451436164 /nfs/dbraw/zinc/43/61/64/451436164.db2.gz WJBPJIBHWMIOOU-UYAOXDASSA-N 2 0 331.504 1.945 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350252 451451336 /nfs/dbraw/zinc/45/13/36/451451336.db2.gz FEDWESUFMHXIOM-MSOLQXFVSA-N 2 0 338.455 1.362 20 0 EDADRP CO[C@H](C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638351454 451452387 /nfs/dbraw/zinc/45/23/87/451452387.db2.gz GAVQWWHCYZIOCD-QZTJIDSGSA-N 2 0 327.513 1.290 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367941 451467036 /nfs/dbraw/zinc/46/70/36/451467036.db2.gz RKNWMTOZRJKRIW-JRBPQWBISA-N 2 0 343.471 1.486 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCOCC1 ZINC000638371801 451468254 /nfs/dbraw/zinc/46/82/54/451468254.db2.gz XEOJJNCSMBDBBL-SFHVURJKSA-N 2 0 348.491 1.365 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCc3ccccc3[C@H]2C[NH3+])c1 ZINC000638373886 451470728 /nfs/dbraw/zinc/47/07/28/451470728.db2.gz VJEVZKAKAZKIAL-RTBURBONSA-N 2 0 339.439 1.650 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638374154 451470968 /nfs/dbraw/zinc/47/09/68/451470968.db2.gz XFNMIXYXBZPDLC-HXUWFJFHSA-N 2 0 335.451 1.960 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634699253 451471530 /nfs/dbraw/zinc/47/15/30/451471530.db2.gz HBTHKPUEDDNCDF-IRXDYDNUSA-N 2 0 328.497 1.381 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000634710997 451490158 /nfs/dbraw/zinc/49/01/58/451490158.db2.gz HSNBPNUOEDSZMY-LZLYRXPVSA-N 2 0 340.508 1.522 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]1CCC[N@H+](Cc3cccnc3)C1)C2 ZINC000634745362 451521969 /nfs/dbraw/zinc/52/19/69/451521969.db2.gz FHKHQQMLOMEGRG-YSIASYRMSA-N 2 0 342.487 1.752 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000634761533 451532185 /nfs/dbraw/zinc/53/21/85/451532185.db2.gz CZPQQCFPKZYBPM-HOCLYGCPSA-N 2 0 328.460 1.932 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000634763917 451534103 /nfs/dbraw/zinc/53/41/03/451534103.db2.gz HCGJIQQSMXBFQI-UONOGXRCSA-N 2 0 334.468 1.101 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@]34CCC[C@@H]3C[NH2+]C4)cc2)CC1 ZINC000634768453 451537046 /nfs/dbraw/zinc/53/70/46/451537046.db2.gz KVIHAEXHMCLKHP-XLIONFOSSA-N 2 0 342.487 1.700 20 0 EDADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000634768794 451537311 /nfs/dbraw/zinc/53/73/11/451537311.db2.gz YXKRIUTTXKSRAR-LMMKCTJWSA-N 2 0 328.460 1.552 20 0 EDADRP CCN(CC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638515234 451554383 /nfs/dbraw/zinc/55/43/83/451554383.db2.gz BWIUHNAUWKDZQH-HKUYNNGSSA-N 2 0 331.460 1.332 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000638526541 451558273 /nfs/dbraw/zinc/55/82/73/451558273.db2.gz MFWDYXWOQVRCPG-HUUCEWRRSA-N 2 0 332.448 1.434 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000638526132 451558842 /nfs/dbraw/zinc/55/88/42/451558842.db2.gz FHTXXHAOIIZHNZ-GOSISDBHSA-N 2 0 332.448 1.306 20 0 EDADRP CN(C)C(=O)CN1CCC([NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631068416 451566506 /nfs/dbraw/zinc/56/65/06/451566506.db2.gz PXPOTFBFGWNWSN-UHFFFAOYSA-N 2 0 333.480 1.325 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000638559332 451577131 /nfs/dbraw/zinc/57/71/31/451577131.db2.gz PWPCYIGPQQINOE-FPMFFAJLSA-N 2 0 347.356 1.854 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H]2CCc3ccccc3C2)C1 ZINC000638570796 451582580 /nfs/dbraw/zinc/58/25/80/451582580.db2.gz AAHZIEROSWKFDG-QFBILLFUSA-N 2 0 329.488 1.969 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000638601473 451599858 /nfs/dbraw/zinc/59/98/58/451599858.db2.gz DMVQHGHMMPKCKR-QGZVFWFLSA-N 2 0 347.459 1.408 20 0 EDADRP C[NH2+]C(C)(C)c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836775 451622948 /nfs/dbraw/zinc/62/29/48/451622948.db2.gz KBCCYLNEIHRTRY-HNNXBMFYSA-N 2 0 344.463 1.152 20 0 EDADRP COc1ccc(C[C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cn1 ZINC000635011707 451648002 /nfs/dbraw/zinc/64/80/02/451648002.db2.gz OXLYCZMKJJXSEL-CQSZACIVSA-N 2 0 327.432 1.938 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC3(C[NH3+])CCCCC3)n2)CC1 ZINC000632940195 451661632 /nfs/dbraw/zinc/66/16/32/451661632.db2.gz GHYPTXIARAKNTA-UHFFFAOYSA-N 2 0 334.468 1.933 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000638746560 451673983 /nfs/dbraw/zinc/67/39/83/451673983.db2.gz HTXSWWJIDJYROG-KRWDZBQOSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1=CC[N@H+](C)CC1 ZINC000637035040 451690201 /nfs/dbraw/zinc/69/02/01/451690201.db2.gz UGFIYWSBKGPBJV-CQSZACIVSA-N 2 0 346.479 1.922 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784669 451690618 /nfs/dbraw/zinc/69/06/18/451690618.db2.gz IYURTZNIXOJWHS-MSOLQXFVSA-N 2 0 337.508 1.901 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638834920 451705626 /nfs/dbraw/zinc/70/56/26/451705626.db2.gz IFFKSRAOOKTCIX-RDJZCZTQSA-N 2 0 331.460 1.249 20 0 EDADRP [NH3+][C@@H](CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000638876455 451716434 /nfs/dbraw/zinc/71/64/34/451716434.db2.gz HTCCIJQRDUNPTM-GJZGRUSLSA-N 2 0 327.432 1.177 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cn2)CC1 ZINC000632960082 451669405 /nfs/dbraw/zinc/66/94/05/451669405.db2.gz BQMBTXZMOJENNJ-BBRMVZONSA-N 2 0 332.452 1.366 20 0 EDADRP CN1CCOC[C@@H]1CNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000636472612 451725661 /nfs/dbraw/zinc/72/56/61/451725661.db2.gz HFAZVSYEKHCPTK-JKSUJKDBSA-N 2 0 338.427 1.058 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000631416635 451730592 /nfs/dbraw/zinc/73/05/92/451730592.db2.gz XNYDYUOSMHNQAP-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CC(C)Oc1ccnc(Cn2cc(CN3CCC[C@@H]3CO)nn2)c1 ZINC000641197669 451776641 /nfs/dbraw/zinc/77/66/41/451776641.db2.gz CPQQHGOXLRLCCX-MRXNPFEDSA-N 2 0 331.420 1.465 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@H]1CCOC1 ZINC000638977015 451744324 /nfs/dbraw/zinc/74/43/24/451744324.db2.gz NVSGXLFPEVYVDF-GBESFXJTSA-N 2 0 334.460 1.394 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@@]12CCCO2 ZINC000639058840 451759807 /nfs/dbraw/zinc/75/98/07/451759807.db2.gz GKNCDPLIDYHMJT-NUJGCVRESA-N 2 0 326.481 1.538 20 0 EDADRP CC[NH2+]Cc1ccn(Cc2cn(C[C@@H]3CCCC[N@@H+]3C(C)C)nn2)n1 ZINC000641167798 451767578 /nfs/dbraw/zinc/76/75/78/451767578.db2.gz ZAZMICCEXWATEL-SFHVURJKSA-N 2 0 345.495 1.895 20 0 EDADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637257285 451771647 /nfs/dbraw/zinc/77/16/47/451771647.db2.gz VLIVCNMKOLXFLO-AKAXFMLLSA-N 2 0 334.468 1.612 20 0 EDADRP O[C@@]1(Cn2cc([C@H]3CCC[NH2+]C3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230359 451791164 /nfs/dbraw/zinc/79/11/64/451791164.db2.gz PWYOUXKELWMHHP-HKUYNNGSSA-N 2 0 341.459 1.382 20 0 EDADRP COc1cc(C[C@@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)ccn1 ZINC000639204493 451791422 /nfs/dbraw/zinc/79/14/22/451791422.db2.gz APWMVCLWQIXVAB-MRXNPFEDSA-N 2 0 348.491 1.603 20 0 EDADRP COc1ccc([C@H](CO)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639259979 451799756 /nfs/dbraw/zinc/79/97/56/451799756.db2.gz YRTKXCOALVFGJV-INIZCTEOSA-N 2 0 336.476 1.596 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000639304536 451817342 /nfs/dbraw/zinc/81/73/42/451817342.db2.gz WCBGGVIGKBUPFP-WBVHZDCISA-N 2 0 337.508 1.914 20 0 EDADRP CCOCC[C@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543650 451852043 /nfs/dbraw/zinc/85/20/43/451852043.db2.gz GNTYFGMLRMORDR-RBUKOAKNSA-N 2 0 335.492 1.352 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000644561566 451860738 /nfs/dbraw/zinc/86/07/38/451860738.db2.gz AXIPPKZJEXYZNF-IEBWSBKVSA-N 2 0 347.503 1.493 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562187 451863382 /nfs/dbraw/zinc/86/33/82/451863382.db2.gz ALEATWVSCPSVJW-IBGZPJMESA-N 2 0 348.535 1.095 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000644562115 451863531 /nfs/dbraw/zinc/86/35/31/451863531.db2.gz WIXAYSWDBOWERZ-UYAOXDASSA-N 2 0 331.504 1.738 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000644563068 451864635 /nfs/dbraw/zinc/86/46/35/451864635.db2.gz LAGPLQGIRXROPJ-CRAIPNDOSA-N 2 0 336.476 1.893 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC[C@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632258 451907187 /nfs/dbraw/zinc/90/71/87/451907187.db2.gz HTSUYNSPAFDDHC-QUCCMNQESA-N 2 0 349.519 1.570 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000639518473 451919449 /nfs/dbraw/zinc/91/94/49/451919449.db2.gz IJBPFVDMZWVCQY-GDBMZVCRSA-N 2 0 336.505 1.874 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)[NH+]2CCCC2)cc1 ZINC000649277200 451947153 /nfs/dbraw/zinc/94/71/53/451947153.db2.gz LWZFDONQKUAZTG-SJLPKXTDSA-N 2 0 347.459 1.184 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(CCC[NH+]3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000644733020 451958171 /nfs/dbraw/zinc/95/81/71/451958171.db2.gz VQFPNDSYWQLLRC-UYAOXDASSA-N 2 0 328.504 1.835 20 0 EDADRP CC[C@H](CNC(=O)COC1(C)C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000649292977 451968866 /nfs/dbraw/zinc/96/88/66/451968866.db2.gz RLZPROYAAFNRSX-QGZVFWFLSA-N 2 0 331.460 1.318 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649293983 451969674 /nfs/dbraw/zinc/96/96/74/451969674.db2.gz VUQCSNDINGHPBT-INIZCTEOSA-N 2 0 337.414 1.796 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@]2(N)CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000649303857 451979948 /nfs/dbraw/zinc/97/99/48/451979948.db2.gz MXTJYLGWECEKMJ-ICSRJNTNSA-N 2 0 344.503 1.609 20 0 EDADRP COC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305116 451981699 /nfs/dbraw/zinc/98/16/99/451981699.db2.gz FOPVCJVMYOBPHI-QUCCMNQESA-N 2 0 345.487 1.926 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305117 451982443 /nfs/dbraw/zinc/98/24/43/451982443.db2.gz FOPVCJVMYOBPHI-UYAOXDASSA-N 2 0 345.487 1.926 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2CCC([NH3+])CC2)cc1 ZINC000649327768 452007963 /nfs/dbraw/zinc/00/79/63/452007963.db2.gz JYCTZKZVJMIONU-UHFFFAOYSA-N 2 0 346.475 1.112 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1C[NH2+]CCOC1 ZINC000649334076 452014337 /nfs/dbraw/zinc/01/43/37/452014337.db2.gz GZTOIGUQSPNXDA-HNNXBMFYSA-N 2 0 341.521 1.090 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000649350577 452033565 /nfs/dbraw/zinc/03/35/65/452033565.db2.gz PTFCEUYGMPSNRB-QYZOEREBSA-N 2 0 344.503 1.466 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CCC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000649350599 452034116 /nfs/dbraw/zinc/03/41/16/452034116.db2.gz RMLRUUCVVGLXFD-KRWDZBQOSA-N 2 0 332.492 1.609 20 0 EDADRP COc1cc(OC)c(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1F ZINC000651753196 452055306 /nfs/dbraw/zinc/05/53/06/452055306.db2.gz IGWLKLXLSOZOLQ-UHFFFAOYSA-N 2 0 339.455 1.959 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](CF)c1ccc(F)cc1 ZINC000637755282 452058159 /nfs/dbraw/zinc/05/81/59/452058159.db2.gz SYDLDUYACGUWSW-MRXNPFEDSA-N 2 0 342.434 1.971 20 0 EDADRP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000649418298 452080306 /nfs/dbraw/zinc/08/03/06/452080306.db2.gz YRIORYBEKUWSLV-UONOGXRCSA-N 2 0 336.505 1.643 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)n1 ZINC000639757611 452096864 /nfs/dbraw/zinc/09/68/64/452096864.db2.gz JJUVQZSGIHCNQN-OAHLLOKOSA-N 2 0 331.464 1.333 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000639761209 452099225 /nfs/dbraw/zinc/09/92/25/452099225.db2.gz FAUAGDFJYMSVIT-FUHWJXTLSA-N 2 0 349.500 1.878 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000637824388 452102066 /nfs/dbraw/zinc/10/20/66/452102066.db2.gz ZACDHVAVBYTPQG-NZSAHSFTSA-N 2 0 327.472 1.952 20 0 EDADRP COC[C@H](CC(C)(C)C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000651830291 452102858 /nfs/dbraw/zinc/10/28/58/452102858.db2.gz KCCLVHJVDDHLAZ-KRWDZBQOSA-N 2 0 341.540 1.824 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833339 452106816 /nfs/dbraw/zinc/10/68/16/452106816.db2.gz RZEGMGHBCXCMEE-ZWKOTPCHSA-N 2 0 326.444 1.262 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000645016292 452114796 /nfs/dbraw/zinc/11/47/96/452114796.db2.gz ICRTYSPLYAOCLP-HNNXBMFYSA-N 2 0 348.495 1.783 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637859062 452117763 /nfs/dbraw/zinc/11/77/63/452117763.db2.gz QJDSCDYTUNJDBK-UHFFFAOYSA-N 2 0 347.463 1.551 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645103816 452153351 /nfs/dbraw/zinc/15/33/51/452153351.db2.gz BGMNONNMLUHOTB-RTBURBONSA-N 2 0 327.472 1.979 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000639876336 452213910 /nfs/dbraw/zinc/21/39/10/452213910.db2.gz DIWWAXAXYDHJFQ-IAGOWNOFSA-N 2 0 325.497 1.017 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000639881207 452216435 /nfs/dbraw/zinc/21/64/35/452216435.db2.gz VAAVAOPTYJBWEK-IAGOWNOFSA-N 2 0 327.513 1.263 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1F ZINC000647486376 452230750 /nfs/dbraw/zinc/23/07/50/452230750.db2.gz IZHJLKFDRAXMIT-HNNXBMFYSA-N 2 0 335.423 1.478 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(N2CCOCC2)CCCCC1 ZINC000643455780 452232401 /nfs/dbraw/zinc/23/24/01/452232401.db2.gz ZRIAFJTYSUXBKE-BBWFWOEESA-N 2 0 325.497 1.363 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000643489389 452256819 /nfs/dbraw/zinc/25/68/19/452256819.db2.gz OFXSPRZFJLIYGF-YQQAZPJKSA-N 2 0 337.489 1.427 20 0 EDADRP CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657458679 452261680 /nfs/dbraw/zinc/26/16/80/452261680.db2.gz HRFGSTPXVQQDIC-XJKSGUPXSA-N 2 0 349.460 1.075 20 0 EDADRP C[C@H](CO)C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000649798533 452262240 /nfs/dbraw/zinc/26/22/40/452262240.db2.gz BPWMMIOVXGPUOR-APWZRJJASA-N 2 0 347.503 1.746 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641788665 452267340 /nfs/dbraw/zinc/26/73/40/452267340.db2.gz UEVVMLUXSBNQPB-IBGZPJMESA-N 2 0 338.540 1.245 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000659426819 452269126 /nfs/dbraw/zinc/26/91/26/452269126.db2.gz DWRVJTGTCVDGJW-ZACQAIPSSA-N 2 0 336.455 1.932 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544221 452275051 /nfs/dbraw/zinc/27/50/51/452275051.db2.gz YIJHCFCPKZZBKY-HOTGVXAUSA-N 2 0 341.455 1.994 20 0 EDADRP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647548499 452276842 /nfs/dbraw/zinc/27/68/42/452276842.db2.gz DFVGAHALHLVUBN-YQFWSFKMSA-N 2 0 326.444 1.763 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641805451 452282339 /nfs/dbraw/zinc/28/23/39/452282339.db2.gz OESHCYCSWKPDDP-LSDHHAIUSA-N 2 0 341.477 1.031 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659441174 452288293 /nfs/dbraw/zinc/28/82/93/452288293.db2.gz CMXQQAZITHXDTH-BYNSBNAKSA-N 2 0 328.476 1.824 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC000652119392 452314777 /nfs/dbraw/zinc/31/47/77/452314777.db2.gz AAMNMBGECUJINT-NSHGMRRFSA-N 2 0 344.503 1.930 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000638054233 452332853 /nfs/dbraw/zinc/33/28/53/452332853.db2.gz GTTCTQCUSNQPMM-KBXCAEBGSA-N 2 0 331.460 1.662 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652141026 452333971 /nfs/dbraw/zinc/33/39/71/452333971.db2.gz CNEPZKBGJLXMEU-BZUAXINKSA-N 2 0 326.485 1.112 20 0 EDADRP CO[C@@H](C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000638054514 452337209 /nfs/dbraw/zinc/33/72/09/452337209.db2.gz DWBNOJOWFFLCID-ROUUACIJSA-N 2 0 325.497 1.140 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638057798 452343497 /nfs/dbraw/zinc/34/34/97/452343497.db2.gz OAHSXQORTDQPEN-GOSISDBHSA-N 2 0 345.487 1.348 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659485464 452346712 /nfs/dbraw/zinc/34/67/12/452346712.db2.gz QMOOSNAMRNBBNT-QGZVFWFLSA-N 2 0 348.491 1.656 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000638060572 452351439 /nfs/dbraw/zinc/35/14/39/452351439.db2.gz XJICNLWSEOJOBY-SFHVURJKSA-N 2 0 333.476 1.896 20 0 EDADRP COc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657597297 452364933 /nfs/dbraw/zinc/36/49/33/452364933.db2.gz SNHDETAAOFUZOO-SFHVURJKSA-N 2 0 327.428 1.947 20 0 EDADRP COC[C@@]1(C(=O)NCCCC[NH+]2CCC(C)CC2)CCCC[NH2+]1 ZINC000638065669 452367629 /nfs/dbraw/zinc/36/76/29/452367629.db2.gz BWNINPBVERZODK-GOSISDBHSA-N 2 0 325.497 1.773 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000638066037 452367759 /nfs/dbraw/zinc/36/77/59/452367759.db2.gz DMSLKJQBWFNUOF-SFHVURJKSA-N 2 0 347.459 1.266 20 0 EDADRP C[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067602 452371210 /nfs/dbraw/zinc/37/12/10/452371210.db2.gz FPAMEZPCCFKOJX-ZIFCJYIRSA-N 2 0 346.519 1.682 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[NH2+]C2CC2)cc1 ZINC000659509687 452373098 /nfs/dbraw/zinc/37/30/98/452373098.db2.gz HDRUTHUKNLRVJV-IRXDYDNUSA-N 2 0 332.448 1.192 20 0 EDADRP C[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070536 452378960 /nfs/dbraw/zinc/37/89/60/452378960.db2.gz YYOZPPSBTHOOQS-LMMKCTJWSA-N 2 0 346.519 1.825 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)c2ccccc2)CC1 ZINC000638076709 452389950 /nfs/dbraw/zinc/38/99/50/452389950.db2.gz MFHUYMRJQCJQMU-UYAOXDASSA-N 2 0 345.487 1.954 20 0 EDADRP CCN(C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](CC)C1 ZINC000663653133 452392872 /nfs/dbraw/zinc/39/28/72/452392872.db2.gz AXYQHCVRKXRIMW-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@]1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCC[NH2+]C1 ZINC000659530666 452393280 /nfs/dbraw/zinc/39/32/80/452393280.db2.gz UKMJUBPEWJSHKT-LMMKCTJWSA-N 2 0 348.466 1.960 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000659535855 452395569 /nfs/dbraw/zinc/39/55/69/452395569.db2.gz LGJGJSCBZQILNH-ROUUACIJSA-N 2 0 346.475 1.195 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659544199 452403737 /nfs/dbraw/zinc/40/37/37/452403737.db2.gz RAULWUMEKNBKKM-SNAWJCMRSA-N 2 0 343.475 1.155 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652208588 452404870 /nfs/dbraw/zinc/40/48/70/452404870.db2.gz IWXBIJQUUXYRTB-CAOSSQGBSA-N 2 0 326.485 1.288 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000652209088 452405037 /nfs/dbraw/zinc/40/50/37/452405037.db2.gz ZUPKYRMLGSTABN-MSOLQXFVSA-N 2 0 332.492 1.928 20 0 EDADRP O=C(C[N@H+]1CC[C@H](O)[C@@H]2CCCC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000640095719 452418807 /nfs/dbraw/zinc/41/88/07/452418807.db2.gz PYUYQPBMAOJAIF-KURKYZTESA-N 2 0 335.492 1.355 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)C[NH3+])cc1 ZINC000659587760 452443480 /nfs/dbraw/zinc/44/34/80/452443480.db2.gz VIZSYKPTUZGACE-HOTGVXAUSA-N 2 0 334.464 1.567 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)CC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000645483431 452453280 /nfs/dbraw/zinc/45/32/80/452453280.db2.gz MYCVKRXDQZOWDT-KRWDZBQOSA-N 2 0 330.476 1.905 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000652268818 452457530 /nfs/dbraw/zinc/45/75/30/452457530.db2.gz MXCQFPXHJRDCKP-GDBMZVCRSA-N 2 0 334.439 1.816 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2F)CC[N@@H+](C2CC2)C1 ZINC000652269984 452459070 /nfs/dbraw/zinc/45/90/70/452459070.db2.gz PPCJFNYBOMQYRW-ZDUSSCGKSA-N 2 0 334.439 1.910 20 0 EDADRP C[C@H](Cc1cccc(O)c1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663781869 452511622 /nfs/dbraw/zinc/51/16/22/452511622.db2.gz DIIBBIYJUFRJLT-OAHLLOKOSA-N 2 0 336.480 1.506 20 0 EDADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@]1(O)CCCOC1 ZINC000657767186 452513124 /nfs/dbraw/zinc/51/31/24/452513124.db2.gz WHULLZLSFYLYRV-SFHVURJKSA-N 2 0 330.432 1.925 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798232 452529313 /nfs/dbraw/zinc/52/93/13/452529313.db2.gz NDFXGZYCMXRQCB-KBAYOESNSA-N 3 0 332.492 1.890 20 0 EDADRP CC(C)([NH3+])CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000645569107 452544290 /nfs/dbraw/zinc/54/42/90/452544290.db2.gz DCEWXYWZIAYSEB-UHFFFAOYSA-N 2 0 332.448 1.450 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCC2)CCCCCC1 ZINC000659677761 452546775 /nfs/dbraw/zinc/54/67/75/452546775.db2.gz SPJVIBQVDIIUSA-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000652364053 452547598 /nfs/dbraw/zinc/54/75/98/452547598.db2.gz VZMHWEIKAYCSCJ-ZNMIVQPWSA-N 2 0 330.494 1.172 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000659690702 452569034 /nfs/dbraw/zinc/56/90/34/452569034.db2.gz SDZITJZIONIWIM-HNNXBMFYSA-N 2 0 348.491 1.209 20 0 EDADRP COCCC[NH+]1CCC([NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657867359 452578891 /nfs/dbraw/zinc/57/88/91/452578891.db2.gz RNDIOIVAAWLFLZ-SFHVURJKSA-N 2 0 328.497 1.909 20 0 EDADRP CS(=O)(=O)NCC[C@H]1CCCC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000647878652 452617575 /nfs/dbraw/zinc/61/75/75/452617575.db2.gz WPPYZZMWBIXTQP-MRXNPFEDSA-N 2 0 331.526 1.560 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)CCC(F)(F)F ZINC000654544756 452625292 /nfs/dbraw/zinc/62/52/92/452625292.db2.gz PVIXRHDCOMDFPH-BETUJISGSA-N 2 0 338.418 1.900 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC000666131019 452626731 /nfs/dbraw/zinc/62/67/31/452626731.db2.gz PQFFHIXWURWIAA-KRWDZBQOSA-N 2 0 335.492 1.562 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000645634863 452636834 /nfs/dbraw/zinc/63/68/34/452636834.db2.gz FLNVNFUGOTYTJB-SJORKVTESA-N 2 0 331.464 1.508 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC(C)C ZINC000655911884 452668723 /nfs/dbraw/zinc/66/87/23/452668723.db2.gz IFBAETJAKDVVKM-RYUDHWBXSA-N 2 0 326.407 1.932 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1F ZINC000655913647 452672353 /nfs/dbraw/zinc/67/23/53/452672353.db2.gz ACTLSVIRNGIJKH-LBPRGKRZSA-N 2 0 336.333 1.576 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1 ZINC000647965616 452710083 /nfs/dbraw/zinc/71/00/83/452710083.db2.gz CLSBRCZMUQHWLU-QGZVFWFLSA-N 2 0 327.513 1.264 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C)[NH3+] ZINC000645737290 452736627 /nfs/dbraw/zinc/73/66/27/452736627.db2.gz XNNVTWCCPOYWJV-CRAIPNDOSA-N 2 0 332.492 1.992 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658140640 452748773 /nfs/dbraw/zinc/74/87/73/452748773.db2.gz VSMDWCJHKKOALA-SJORKVTESA-N 2 0 331.460 1.400 20 0 EDADRP C[N@H+](C[C@H]1CNc2ccnn2C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648035217 452772303 /nfs/dbraw/zinc/77/23/03/452772303.db2.gz WYXWCFKBBIWBCT-NVXWUHKLSA-N 2 0 332.496 1.025 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648117335 452833844 /nfs/dbraw/zinc/83/38/44/452833844.db2.gz TYZRSQWFPXRJMC-KFWWJZLASA-N 2 0 336.505 1.765 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000645839500 452837614 /nfs/dbraw/zinc/83/76/14/452837614.db2.gz PSELZYDKTWUZSL-DYVFJYSZSA-N 2 0 348.466 1.753 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cnc3ccccn23)(N2CCOCC2)CC1 ZINC000666407224 452847507 /nfs/dbraw/zinc/84/75/07/452847507.db2.gz AYCGLPPGAUNIJF-UHFFFAOYSA-N 2 0 343.475 1.221 20 0 EDADRP O=C(N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000648143272 452855778 /nfs/dbraw/zinc/85/57/78/452855778.db2.gz MQFFGVRSHWWPQO-DLBZAZTESA-N 2 0 345.491 1.200 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1CCCCC1 ZINC000652705252 452858350 /nfs/dbraw/zinc/85/83/50/452858350.db2.gz CLJVZOPYBIPGJN-GJZGRUSLSA-N 2 0 340.512 1.389 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCOCC1 ZINC000648146762 452858816 /nfs/dbraw/zinc/85/88/16/452858816.db2.gz KGKUEOJOODWNQB-DOTOQJQBSA-N 2 0 349.450 1.391 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000648160013 452869594 /nfs/dbraw/zinc/86/95/94/452869594.db2.gz NOPNDQMACXVDLH-WWDZGPRUSA-N 2 0 330.476 1.879 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC2(CCCC2)O1 ZINC000654740561 452872460 /nfs/dbraw/zinc/87/24/60/452872460.db2.gz JFCNCBHKMHFZGI-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000648169724 452879969 /nfs/dbraw/zinc/87/99/69/452879969.db2.gz OPSLBNGYNWZIJO-QGZVFWFLSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000648168100 452880495 /nfs/dbraw/zinc/88/04/95/452880495.db2.gz VCPDIBKTNXLQTH-IKLKHMQRSA-N 2 0 327.472 1.869 20 0 EDADRP C[C@@H](CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[NH+](C)C ZINC000664211447 452885327 /nfs/dbraw/zinc/88/53/27/452885327.db2.gz OJKBOJAFBYCCIT-HNNXBMFYSA-N 2 0 332.492 1.725 20 0 EDADRP CC[C@H](C)Oc1cccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000658381585 452898065 /nfs/dbraw/zinc/89/80/65/452898065.db2.gz VDUMYWWJPOUIRG-AWEZNQCLSA-N 2 0 343.493 1.552 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@H]43)cn21 ZINC000645932059 452911294 /nfs/dbraw/zinc/91/12/94/452911294.db2.gz USKWSLWYPXBBJM-DOTOQJQBSA-N 2 0 341.459 1.921 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000645977527 452963159 /nfs/dbraw/zinc/96/31/59/452963159.db2.gz FMKUEVUGMFROGI-CGTJXYLNSA-N 2 0 336.524 1.569 20 0 EDADRP O=C(Nc1ccccc1)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248630 452972340 /nfs/dbraw/zinc/97/23/40/452972340.db2.gz IFLJIMZBWOXUAG-KRWDZBQOSA-N 2 0 329.444 1.858 20 0 EDADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248488 452972712 /nfs/dbraw/zinc/97/27/12/452972712.db2.gz DCDNYMDOHAJDMB-YOEHRIQHSA-N 2 0 327.432 1.781 20 0 EDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C1CCN(S(C)(=O)=O)CC1 ZINC000662258023 452985987 /nfs/dbraw/zinc/98/59/87/452985987.db2.gz HJOUIYAJZLKXNE-UHFFFAOYSA-N 2 0 337.489 1.188 20 0 EDADRP CCN1C[C@@H](C[N@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)Oc2ccccc21 ZINC000662261202 452991364 /nfs/dbraw/zinc/99/13/64/452991364.db2.gz UPVHMCWNQHPFBG-HZPDHXFCSA-N 2 0 331.460 1.727 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)C1 ZINC000646003035 452998436 /nfs/dbraw/zinc/99/84/36/452998436.db2.gz OGKMNFMVGDXKQC-MSOLQXFVSA-N 2 0 348.466 1.106 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCCN2CCCC[C@H]12 ZINC000656278168 453004651 /nfs/dbraw/zinc/00/46/51/453004651.db2.gz PPLFDAGYWGSHKX-DLBZAZTESA-N 2 0 327.428 1.889 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664331018 453006469 /nfs/dbraw/zinc/00/64/69/453006469.db2.gz NHTBDTOMXHZGLD-UHFFFAOYSA-N 2 0 335.496 1.753 20 0 EDADRP CC(C)(C)n1nnc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)n1 ZINC000662284556 453007140 /nfs/dbraw/zinc/00/71/40/453007140.db2.gz NLQJCNHSTUMOGG-KFWWJZLASA-N 2 0 336.484 1.331 20 0 EDADRP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)co1 ZINC000662293763 453016278 /nfs/dbraw/zinc/01/62/78/453016278.db2.gz NJAMPIHTJMCNRO-AWEZNQCLSA-N 2 0 327.450 1.139 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307770 453026684 /nfs/dbraw/zinc/02/66/84/453026684.db2.gz ZBEFLMDBMDIRGW-RTBURBONSA-N 2 0 329.488 1.756 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662317742 453033815 /nfs/dbraw/zinc/03/38/15/453033815.db2.gz ZWSCNAYMVGMKLR-RHSMWYFYSA-N 2 0 339.505 1.934 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)CC1 ZINC000646040960 453042431 /nfs/dbraw/zinc/04/24/31/453042431.db2.gz AWMFAWASZGHIDR-UHFFFAOYSA-N 2 0 347.463 1.968 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000662324009 453043832 /nfs/dbraw/zinc/04/38/32/453043832.db2.gz SNIFPJOJXWHGIH-LJQANCHMSA-N 3 0 340.556 1.445 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666674024 453059216 /nfs/dbraw/zinc/05/92/16/453059216.db2.gz XHVSKLVPXRYBPM-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000646087777 453096325 /nfs/dbraw/zinc/09/63/25/453096325.db2.gz SMLSVVYINNDOPW-INIZCTEOSA-N 2 0 346.475 1.207 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc21 ZINC000662386819 453096507 /nfs/dbraw/zinc/09/65/07/453096507.db2.gz NJEOAOPSUNLFAU-GOSISDBHSA-N 2 0 345.487 1.907 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)CC1 ZINC000662389229 453098601 /nfs/dbraw/zinc/09/86/01/453098601.db2.gz YWEZRPDXKXAOPZ-UHFFFAOYSA-N 2 0 342.447 1.721 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[NH2+]C(C)C)cc2)CC1 ZINC000662389727 453100960 /nfs/dbraw/zinc/10/09/60/453100960.db2.gz ZTOMGJZCFCOJNE-UHFFFAOYSA-N 2 0 332.492 1.438 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103505 453103834 /nfs/dbraw/zinc/10/38/34/453103834.db2.gz VYGGOXUNUNKATR-SFHVURJKSA-N 2 0 348.487 1.840 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]C1 ZINC000646106149 453109504 /nfs/dbraw/zinc/10/95/04/453109504.db2.gz PZFPHXWRUJEXKI-HKUYNNGSSA-N 2 0 331.460 1.345 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000660244576 453151977 /nfs/dbraw/zinc/15/19/77/453151977.db2.gz QRFSBZRKKHAPQJ-UHFFFAOYSA-N 2 0 338.496 1.714 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662454536 453163683 /nfs/dbraw/zinc/16/36/83/453163683.db2.gz BTABSCQDTDBBQB-DLBZAZTESA-N 2 0 330.476 1.041 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457390 453164943 /nfs/dbraw/zinc/16/49/43/453164943.db2.gz HZWPVOLGITWUJM-QFBILLFUSA-N 2 0 342.487 1.506 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000650994897 453171874 /nfs/dbraw/zinc/17/18/74/453171874.db2.gz VTYLNLNDLCTHDM-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655073829 453198245 /nfs/dbraw/zinc/19/82/45/453198245.db2.gz GLERMLKLSBLNES-FXAWDEMLSA-N 2 0 343.471 1.081 20 0 EDADRP C[C@H](NC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000646189437 453202009 /nfs/dbraw/zinc/20/20/09/453202009.db2.gz IVKLKIWWTNXHQF-KBXCAEBGSA-N 2 0 330.476 1.984 20 0 EDADRP COCC1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC[NH2+]CC1 ZINC000666893979 453221021 /nfs/dbraw/zinc/22/10/21/453221021.db2.gz JRISVWAWOIWESA-UHFFFAOYSA-N 2 0 331.460 1.685 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334755 453222486 /nfs/dbraw/zinc/22/24/86/453222486.db2.gz QJMINHDJLZSMMM-PMACEKPBSA-N 2 0 349.519 1.256 20 0 EDADRP O=C(NCCCn1ccnc1)NCc1cccnc1N1CCCC1 ZINC000656541042 453264066 /nfs/dbraw/zinc/26/40/66/453264066.db2.gz VIEJEGOATFVOSM-UHFFFAOYSA-N 2 0 328.420 1.768 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662559288 453287690 /nfs/dbraw/zinc/28/76/90/453287690.db2.gz WNMUYYHLSPLVCN-KDOFPFPSSA-N 2 0 327.428 1.599 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC12CCOCC2 ZINC000662572006 453297774 /nfs/dbraw/zinc/29/77/74/453297774.db2.gz VNESRFGSYMWICC-WBVHZDCISA-N 2 0 329.444 1.435 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586483 453313471 /nfs/dbraw/zinc/31/34/71/453313471.db2.gz KLJFFMXWVQFMAR-INIZCTEOSA-N 2 0 346.475 1.993 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662591534 453319501 /nfs/dbraw/zinc/31/95/01/453319501.db2.gz SVXAWJHVBVTFBS-HUUCEWRRSA-N 2 0 331.464 1.338 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cn3cccc(F)c3n2)CC1 ZINC000648850554 453328386 /nfs/dbraw/zinc/32/83/86/453328386.db2.gz DWHOJBDYZCKORG-UHFFFAOYSA-N 2 0 333.455 1.979 20 0 EDADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000653153464 453342965 /nfs/dbraw/zinc/34/29/65/453342965.db2.gz PYADPHYNURKUPM-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648867911 453343165 /nfs/dbraw/zinc/34/31/65/453343165.db2.gz GCITZTDBRABOQF-POAQFYNOSA-N 2 0 345.487 1.422 20 0 EDADRP CCN(C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000664754917 453376175 /nfs/dbraw/zinc/37/61/75/453376175.db2.gz MPQKUXFGOMDOHI-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP O=C1C[C@@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536288 453381467 /nfs/dbraw/zinc/38/14/67/453381467.db2.gz GAJXUFKWIZTFRS-MOPGFXCFSA-N 2 0 342.487 1.015 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662674628 453390909 /nfs/dbraw/zinc/39/09/09/453390909.db2.gz DMBICQVGTOJGCR-RBUKOAKNSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662677747 453396155 /nfs/dbraw/zinc/39/61/55/453396155.db2.gz SICCWQXBYBQDDJ-HUUCEWRRSA-N 2 0 331.460 1.115 20 0 EDADRP C[N@H+](CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CCCCC1 ZINC000662680863 453400765 /nfs/dbraw/zinc/40/07/65/453400765.db2.gz MRMAIMBSYPDPON-INIZCTEOSA-N 2 0 348.495 1.587 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000653214068 453403509 /nfs/dbraw/zinc/40/35/09/453403509.db2.gz FMBUEKFXJVMNCA-FRQCXROJSA-N 2 0 331.460 1.555 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662687740 453408406 /nfs/dbraw/zinc/40/84/06/453408406.db2.gz JKKQGGCXOOYCJF-HOTGVXAUSA-N 2 0 345.487 1.952 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000662692580 453412806 /nfs/dbraw/zinc/41/28/06/453412806.db2.gz PSSYBWQUNFXZAN-IPMKNSEASA-N 2 0 345.487 1.940 20 0 EDADRP C[C@H]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H]1CC[NH3+] ZINC000653240442 453423750 /nfs/dbraw/zinc/42/37/50/453423750.db2.gz NXUNCDWWYLSGSL-IRXDYDNUSA-N 2 0 337.508 1.997 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCc1cccnc1N1CCCC1 ZINC000660584825 453423804 /nfs/dbraw/zinc/42/38/04/453423804.db2.gz MRHPNFFWRZHZFA-UHFFFAOYSA-N 2 0 335.452 1.059 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000662710753 453434955 /nfs/dbraw/zinc/43/49/55/453434955.db2.gz YYTFUEQANSLDSJ-AEFFLSMTSA-N 2 0 329.444 1.243 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653261304 453443031 /nfs/dbraw/zinc/44/30/31/453443031.db2.gz QGGNMRGWZRVAJS-AEFXTWNNSA-N 2 0 339.480 1.160 20 0 EDADRP [NH3+][C@H]1C[C@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000662742349 453469940 /nfs/dbraw/zinc/46/99/40/453469940.db2.gz SYDFBROMHMJWSM-CTYIDZIISA-N 2 0 335.423 1.522 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662760453 453498577 /nfs/dbraw/zinc/49/85/77/453498577.db2.gz ZEMABTMBJLRZES-DZKIICNBSA-N 2 0 348.466 1.882 20 0 EDADRP C[N@@H+]1CC[C@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)C1 ZINC000664940606 453504746 /nfs/dbraw/zinc/50/47/46/453504746.db2.gz QTOTXLNSDWXHMJ-ZDUSSCGKSA-N 2 0 328.420 1.303 20 0 EDADRP C[N@@H+]1CC[C@@H](c2nc(-c3ccc(N4CC[NH+](C)CC4)cn3)no2)C1 ZINC000664940605 453505148 /nfs/dbraw/zinc/50/51/48/453505148.db2.gz QTOTXLNSDWXHMJ-CYBMUJFWSA-N 2 0 328.420 1.303 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678485 453508276 /nfs/dbraw/zinc/50/82/76/453508276.db2.gz VFEBFQNEDNNMFX-IBGZPJMESA-N 2 0 335.492 1.180 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662797823 453531640 /nfs/dbraw/zinc/53/16/40/453531640.db2.gz ARMRDYJNRYERRP-UHFFFAOYSA-N 2 0 338.452 1.441 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445688 453532193 /nfs/dbraw/zinc/53/21/93/453532193.db2.gz ISKDTZBNNGDMGG-LPHOPBHVSA-N 2 0 331.460 1.633 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000662803996 453538978 /nfs/dbraw/zinc/53/89/78/453538978.db2.gz AOBUJIVEVCZTGQ-LULLPPNCSA-N 2 0 345.487 1.767 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662834304 453560820 /nfs/dbraw/zinc/56/08/20/453560820.db2.gz ZEPOVRNNGNBYFH-MSOLQXFVSA-N 2 0 331.460 1.270 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C1CC1)C1(CO)CCC1)c1ccccc1 ZINC000660773363 453570697 /nfs/dbraw/zinc/57/06/97/453570697.db2.gz WDPZLUHZGSUWHX-GOSISDBHSA-N 2 0 345.487 1.785 20 0 EDADRP CC[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000660786240 453573963 /nfs/dbraw/zinc/57/39/63/453573963.db2.gz IUPNKPBSMBVWFE-HKUYNNGSSA-N 2 0 346.519 1.822 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000662867209 453579572 /nfs/dbraw/zinc/57/95/72/453579572.db2.gz SDESTOVTQSVDQW-JLSDUUJJSA-N 2 0 331.460 1.647 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000660822809 453587467 /nfs/dbraw/zinc/58/74/67/453587467.db2.gz AFMAGBXFVFHYBW-RDJZCZTQSA-N 2 0 342.553 1.843 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034557 453591675 /nfs/dbraw/zinc/59/16/75/453591675.db2.gz OGGLPFDYCZCKAH-YOEHRIQHSA-N 2 0 332.448 1.811 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000659090370 453625258 /nfs/dbraw/zinc/62/52/58/453625258.db2.gz QGTFAIPXTZZXHE-UHFFFAOYSA-N 2 0 346.475 1.459 20 0 EDADRP C[C@@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000665285391 453635876 /nfs/dbraw/zinc/63/58/76/453635876.db2.gz LNQWOWCSDBCGKR-HOJAQTOUSA-N 2 0 330.520 1.923 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2CCOC)CC1 ZINC000665289618 453636874 /nfs/dbraw/zinc/63/68/74/453636874.db2.gz SPTYRLUCWOALKS-RDJZCZTQSA-N 2 0 325.497 1.772 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000659105601 453637848 /nfs/dbraw/zinc/63/78/48/453637848.db2.gz RRSIPGQCMJKEFJ-UHFFFAOYSA-N 2 0 344.459 1.335 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661036116 453688877 /nfs/dbraw/zinc/68/88/77/453688877.db2.gz DZRPKKNFZNOQGR-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035876 453689344 /nfs/dbraw/zinc/68/93/44/453689344.db2.gz BDYZNPDIYZMPET-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc21 ZINC000659291931 453705253 /nfs/dbraw/zinc/70/52/53/453705253.db2.gz MHIFBFAGDAZQDI-UHFFFAOYSA-N 2 0 341.419 1.005 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1(C)C ZINC000661130419 453722768 /nfs/dbraw/zinc/72/27/68/453722768.db2.gz MOALWOUDCNTRQF-OAHLLOKOSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H](CO)c1ccccc1 ZINC000665637427 453777767 /nfs/dbraw/zinc/77/77/67/453777767.db2.gz CQSDFQOWUYVGFT-RDJZCZTQSA-N 2 0 336.480 1.291 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc3c(c2)nnn3C)CC1 ZINC000663503961 453811301 /nfs/dbraw/zinc/81/13/01/453811301.db2.gz NUPGVPXWNGCCNT-UHFFFAOYSA-N 2 0 344.463 1.049 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000663508081 453812281 /nfs/dbraw/zinc/81/22/81/453812281.db2.gz HWTVWHZKUIIREH-UHFFFAOYSA-N 2 0 330.476 1.985 20 0 EDADRP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000671768916 486746261 /nfs/dbraw/zinc/74/62/61/486746261.db2.gz CTLHHOFGVAQLPR-MIGBEJBISA-N 2 0 336.524 1.390 20 0 EDADRP C=Cn1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000683702735 486795169 /nfs/dbraw/zinc/79/51/69/486795169.db2.gz ANYCZMGZOBUBCN-UHFFFAOYSA-N 2 0 341.463 1.466 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(O[C@H]2CCOC2)cc1 ZINC000684048410 486924927 /nfs/dbraw/zinc/92/49/27/486924927.db2.gz SJKXCHCTYVYNMU-SFHVURJKSA-N 2 0 349.475 1.420 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cn1 ZINC000684117058 486950061 /nfs/dbraw/zinc/95/00/61/486950061.db2.gz WDIWQOUHYKZQLF-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000684164017 486963609 /nfs/dbraw/zinc/96/36/09/486963609.db2.gz QLQMUOKKSCURIL-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)CC1(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCC1 ZINC000667803956 486973638 /nfs/dbraw/zinc/97/36/38/486973638.db2.gz SSOYYWBXNAIADU-UHFFFAOYSA-N 2 0 331.464 1.971 20 0 EDADRP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000677194108 487005647 /nfs/dbraw/zinc/00/56/47/487005647.db2.gz QJPJMDSOJXYUSM-GOSISDBHSA-N 2 0 344.503 1.751 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000667951423 487028335 /nfs/dbraw/zinc/02/83/35/487028335.db2.gz SRASLNNRDOJSIV-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCS(N)(=O)=O ZINC000681411649 487036782 /nfs/dbraw/zinc/03/67/82/487036782.db2.gz AIUAFFXGRYKIHU-HOCLYGCPSA-N 2 0 325.478 1.165 20 0 EDADRP CC[C@@H](C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+](CC)CC ZINC000673650345 487076852 /nfs/dbraw/zinc/07/68/52/487076852.db2.gz NZOYWCMORHPYFC-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000674040719 487190579 /nfs/dbraw/zinc/19/05/79/487190579.db2.gz QHWXKWVCINUKQB-UHFFFAOYSA-N 2 0 338.496 1.149 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000674745696 487307858 /nfs/dbraw/zinc/30/78/58/487307858.db2.gz WWKSDCBXXVQUHA-GOEBONIOSA-N 2 0 336.484 1.781 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000685742721 487317276 /nfs/dbraw/zinc/31/72/76/487317276.db2.gz GUBJCWAITLHRFK-KRWDZBQOSA-N 2 0 346.475 1.518 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000669518039 485483234 /nfs/dbraw/zinc/48/32/34/485483234.db2.gz UPAKNEPQBINUJQ-DOTOQJQBSA-N 2 0 334.439 1.651 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528964 485503537 /nfs/dbraw/zinc/50/35/37/485503537.db2.gz XXXVWUUDBVBCSQ-BVPBIZIASA-N 2 0 328.460 1.524 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557142 485560258 /nfs/dbraw/zinc/56/02/58/485560258.db2.gz VIXIHICVFISPIX-NRSFXHEJSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000669578663 485623090 /nfs/dbraw/zinc/62/30/90/485623090.db2.gz WNVRDWDPDQKGDL-USXIJHARSA-N 2 0 338.496 1.541 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669587653 485639966 /nfs/dbraw/zinc/63/99/66/485639966.db2.gz WBHATNZOYDOPGF-INIZCTEOSA-N 2 0 349.479 1.353 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000358499731 485699580 /nfs/dbraw/zinc/69/95/80/485699580.db2.gz LYRSKWHBGOJNMR-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000669139192 485728701 /nfs/dbraw/zinc/72/87/01/485728701.db2.gz FRHBOSXGIHMBNI-FUHWJXTLSA-N 2 0 348.491 1.896 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000261599513 485833093 /nfs/dbraw/zinc/83/30/93/485833093.db2.gz ATKPDWPZKZCRQW-YIOZNXECSA-N 2 0 335.492 1.606 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669397624 486056610 /nfs/dbraw/zinc/05/66/10/486056610.db2.gz MTCUADMWSCZALM-PLNGDYQASA-N 2 0 345.491 1.403 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668161000 486182570 /nfs/dbraw/zinc/18/25/70/486182570.db2.gz NVUCSPSAQZYFKV-LJQANCHMSA-N 2 0 335.492 1.780 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(Cc2ccccc2-n2cncn2)CCO1 ZINC000668785572 486195055 /nfs/dbraw/zinc/19/50/55/486195055.db2.gz SHDOIWFVQOOGKZ-KRWDZBQOSA-N 2 0 329.448 1.810 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669458887 486214438 /nfs/dbraw/zinc/21/44/38/486214438.db2.gz JBFGSGSFDVARNB-RBUKOAKNSA-N 2 0 344.503 1.992 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000668809851 486219027 /nfs/dbraw/zinc/21/90/27/486219027.db2.gz DIKUTDHZCWVPDX-WBVHZDCISA-N 2 0 334.464 1.266 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000167413959 486462994 /nfs/dbraw/zinc/46/29/94/486462994.db2.gz YGCFMIMXTKUVEZ-GOSISDBHSA-N 2 0 333.476 1.633 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000392837507 486583215 /nfs/dbraw/zinc/58/32/15/486583215.db2.gz VTJHJCXIQJUNNC-UHFFFAOYSA-N 2 0 343.471 1.517 20 0 EDADRP CN(CCC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1cc[nH+]cc1 ZINC000679409305 491011267 /nfs/dbraw/zinc/01/12/67/491011267.db2.gz YQQJJSJJHWFQFE-SFHVURJKSA-N 2 0 345.491 1.146 20 0 EDADRP COc1cc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000180991988 533860437 /nfs/dbraw/zinc/86/04/37/533860437.db2.gz ZNLNPGHLSAZTAP-LJQANCHMSA-N 2 0 349.475 1.784 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000168750601 534326290 /nfs/dbraw/zinc/32/62/90/534326290.db2.gz ORDOYXBAJDXUTQ-GOSISDBHSA-N 2 0 348.422 1.152 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000370767423 522002800 /nfs/dbraw/zinc/00/28/00/522002800.db2.gz TZKZUSFULLSVNT-IEBWSBKVSA-N 2 0 339.524 1.875 20 0 EDADRP Cc1ncccc1NC(=O)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000175077271 534763915 /nfs/dbraw/zinc/76/39/15/534763915.db2.gz LZUBWCDWGVAWKW-UHFFFAOYSA-N 2 0 349.479 1.061 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262638097 536448708 /nfs/dbraw/zinc/44/87/08/536448708.db2.gz ITJAHAIKSQDWQH-UKRRQHHQSA-N 2 0 332.448 1.178 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175546983 528581404 /nfs/dbraw/zinc/58/14/04/528581404.db2.gz GNIGIYWNCSZBMR-GOSISDBHSA-N 2 0 337.508 1.770 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000164606519 528833751 /nfs/dbraw/zinc/83/37/51/528833751.db2.gz FPIILFQSOSVVRR-GOSISDBHSA-N 2 0 333.476 1.912 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C(C2CC2)C2CC2)C1 ZINC000050989123 535110323 /nfs/dbraw/zinc/11/03/23/535110323.db2.gz OXBOZVMCUGCTJW-KRWDZBQOSA-N 2 0 337.508 1.580 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC[C@H]2C)C1 ZINC000076150025 535117278 /nfs/dbraw/zinc/11/72/78/535117278.db2.gz CZAPKEUITVQTKU-GVDBMIGSSA-N 2 0 325.497 1.580 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333410140 535481312 /nfs/dbraw/zinc/48/13/12/535481312.db2.gz RCFHYLBWKFFLHB-ZACQAIPSSA-N 2 0 338.496 1.399 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])cc1 ZINC000262522872 535539241 /nfs/dbraw/zinc/53/92/41/535539241.db2.gz JFRRGMFMVAZGAX-KBPBESRZSA-N 2 0 334.464 1.680 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000339608861 535570401 /nfs/dbraw/zinc/57/04/01/535570401.db2.gz SIKHGQPIDBBLTD-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cnn(C)c1C ZINC000270212244 535592264 /nfs/dbraw/zinc/59/22/64/535592264.db2.gz OFEQBKSZYCHMNP-BBVFFXRHSA-N 2 0 347.507 1.616 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352755193 535698497 /nfs/dbraw/zinc/69/84/97/535698497.db2.gz MCESOVDVIXQNCK-UHFFFAOYSA-N 2 0 332.448 1.249 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263366850 535712643 /nfs/dbraw/zinc/71/26/43/535712643.db2.gz WJHKJYDGVLWZJJ-AEFFLSMTSA-N 2 0 332.492 1.466 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000333270293 535752649 /nfs/dbraw/zinc/75/26/49/535752649.db2.gz GADUEWKRXYWKAN-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000262048412 535905824 /nfs/dbraw/zinc/90/58/24/535905824.db2.gz ZICKFLPCLXPLPU-ZCNNSNEGSA-N 2 0 347.503 1.874 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269945860 535949887 /nfs/dbraw/zinc/94/98/87/535949887.db2.gz UXRNKQCDEAEVJQ-IBGZPJMESA-N 2 0 333.476 1.327 20 0 EDADRP C[NH+](C)[C@@H](CNc1cc(NC[C@@H](C2CC2)[NH+](C)C)ncn1)C1CC1 ZINC000123862821 536131755 /nfs/dbraw/zinc/13/17/55/536131755.db2.gz OSEJGCOYGLDQMQ-HOTGVXAUSA-N 2 0 332.496 1.981 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCCC[C@H]3C[NH3+])ccn2)CC1 ZINC000237237466 536418593 /nfs/dbraw/zinc/41/85/93/536418593.db2.gz POKZIGHUTIRXAK-JKSUJKDBSA-N 2 0 331.464 1.081 20 0 EDADRP COCc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347081266 536802366 /nfs/dbraw/zinc/80/23/66/536802366.db2.gz XQQAJVKCNLOPFV-SFHVURJKSA-N 2 0 331.460 1.477 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC1CC[NH+](CCCOC)CC1 ZINC000726908390 578491705 /nfs/dbraw/zinc/49/17/05/578491705.db2.gz YFPCBCAHNONPBW-MRXNPFEDSA-N 2 0 342.553 1.436 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)Cn1cnc(C(=O)OC)n1 ZINC000727428060 578528928 /nfs/dbraw/zinc/52/89/28/578528928.db2.gz MDIONISYNQOGAW-UHFFFAOYSA-N 2 0 331.420 1.606 20 0 EDADRP Cc1n[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1Br ZINC000728611384 578549460 /nfs/dbraw/zinc/54/94/60/578549460.db2.gz CQSZGEPCPONMDU-UHFFFAOYSA-N 2 0 346.273 1.046 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734264990 578805507 /nfs/dbraw/zinc/80/55/07/578805507.db2.gz OKXAFHBEMNOZCQ-KRWDZBQOSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000746306106 579586125 /nfs/dbraw/zinc/58/61/25/579586125.db2.gz HAHKPGZEEAMFAG-UHFFFAOYSA-N 2 0 346.519 1.959 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000747581926 579649931 /nfs/dbraw/zinc/64/99/31/579649931.db2.gz RNDNUJIBVAPSBR-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP NC(=O)NC(=O)OCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000750615738 579773247 /nfs/dbraw/zinc/77/32/47/579773247.db2.gz QAEMUSPLCXOCFT-UHFFFAOYSA-N 2 0 340.468 1.769 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NC[C@H]1CCCO1 ZINC000751011849 579791172 /nfs/dbraw/zinc/79/11/72/579791172.db2.gz PLVCHSFVRWUEED-JKSUJKDBSA-N 2 0 342.553 1.388 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(OCC(N)=O)cc2)CCCO1 ZINC000762483711 580075305 /nfs/dbraw/zinc/07/53/05/580075305.db2.gz XAAGMTQTFYGYKC-OAHLLOKOSA-N 2 0 335.448 1.141 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)s1 ZINC000764099514 580113342 /nfs/dbraw/zinc/11/33/42/580113342.db2.gz AEKJHUKZIUUHRP-CYBMUJFWSA-N 2 0 339.509 1.673 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000765790623 580151415 /nfs/dbraw/zinc/15/14/15/580151415.db2.gz GJJXZJSWMWYJCZ-OKYOBFRVSA-N 2 0 339.524 1.576 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=S)NCCC[NH+](C)C ZINC000795163633 580914836 /nfs/dbraw/zinc/91/48/36/580914836.db2.gz IMBPZDYGFGMVMY-UHFFFAOYSA-N 2 0 326.510 1.860 20 0 EDADRP Cc1cc(N)nc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[nH+]1 ZINC000893119597 590669548 /nfs/dbraw/zinc/66/95/48/590669548.db2.gz VZLULSRNQSLDDU-INIZCTEOSA-N 2 0 327.432 1.936 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H](c2nc(-c3nc[nH]n3)no2)C(C)(C)C)CC1 ZINC000893188872 590702365 /nfs/dbraw/zinc/70/23/65/590702365.db2.gz ISKSGLXALFNJDX-LBPRGKRZSA-N 2 0 333.440 1.873 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000891954757 590705679 /nfs/dbraw/zinc/70/56/79/590705679.db2.gz UURYXNWOSADYOG-QGZVFWFLSA-N 2 0 330.476 1.875 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000891973665 590718685 /nfs/dbraw/zinc/71/86/85/590718685.db2.gz WRNVBUMNBRDSEY-DOTOQJQBSA-N 2 0 332.448 1.493 20 0 EDADRP CN1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)Cc2cccnc21 ZINC000892030283 590757073 /nfs/dbraw/zinc/75/70/73/590757073.db2.gz GEHSCGFCILNTCL-MRXNPFEDSA-N 2 0 325.416 1.743 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000892098092 590798000 /nfs/dbraw/zinc/79/80/00/590798000.db2.gz XFBYOPGGSQKCCN-GDBMZVCRSA-N 2 0 326.485 1.127 20 0 EDADRP COCC1(CNC(=O)N2CCCC[C@@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000892112238 590805494 /nfs/dbraw/zinc/80/54/94/590805494.db2.gz ILAWHKNXJUPKPH-KRWDZBQOSA-N 2 0 338.496 1.178 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000892134017 590815812 /nfs/dbraw/zinc/81/58/12/590815812.db2.gz HLXHVLYSMDGOOZ-PBHICJAKSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)N[C@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000892157491 590829477 /nfs/dbraw/zinc/82/94/77/590829477.db2.gz STMLGWYTQDQWLI-ZDUSSCGKSA-N 2 0 330.423 1.501 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892157576 590829565 /nfs/dbraw/zinc/82/95/65/590829565.db2.gz ZANNCLPPDDNPBX-ZDUSSCGKSA-N 2 0 330.423 1.644 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C2CC2)n1 ZINC000893392504 590833449 /nfs/dbraw/zinc/83/34/49/590833449.db2.gz JFIOCNPJNUEUSM-UHFFFAOYSA-N 2 0 329.448 1.923 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC1([NH3+])C3CC4CC(C3)CC1C4)C2 ZINC000892191981 590857909 /nfs/dbraw/zinc/85/79/09/590857909.db2.gz VIGCGFRVAFXGBJ-KSHZJZJQSA-N 2 0 332.492 1.391 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892257820 590890685 /nfs/dbraw/zinc/89/06/85/590890685.db2.gz SXFPPPYHLAYVCY-DWRORGKVSA-N 2 0 346.450 1.855 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000892280499 590909953 /nfs/dbraw/zinc/90/99/53/590909953.db2.gz BGWGXVOZZPYXBQ-BBWFWOEESA-N 2 0 332.448 1.492 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892294360 590919731 /nfs/dbraw/zinc/91/97/31/590919731.db2.gz KFHNCJRUZDWXOB-BPQIPLTHSA-N 2 0 346.475 1.042 20 0 EDADRP CN1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+](C)CC1 ZINC000888985416 590955957 /nfs/dbraw/zinc/95/59/57/590955957.db2.gz XJNBNLKUFIAKLN-GOSISDBHSA-N 2 0 332.492 1.385 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)[NH2+]C1 ZINC000892378045 591000806 /nfs/dbraw/zinc/00/08/06/591000806.db2.gz OJYXAQKSBZZBCE-LSDHHAIUSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000892394096 591008689 /nfs/dbraw/zinc/00/86/89/591008689.db2.gz ILDFCWISZJNTDJ-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH+]1CCC[C@H](CNc2nccc(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421898 591021542 /nfs/dbraw/zinc/02/15/42/591021542.db2.gz QHDIWQRBQSLQJW-HZPDHXFCSA-N 3 0 332.496 1.984 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446936 591031412 /nfs/dbraw/zinc/03/14/12/591031412.db2.gz PRXFVFKXWPPOBN-WKILWMFISA-N 2 0 328.501 1.504 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891344063 591051589 /nfs/dbraw/zinc/05/15/89/591051589.db2.gz CRCQHJHRQDVOOH-WOVMCDHWSA-N 2 0 348.491 1.944 20 0 EDADRP CN(C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000893742931 591072923 /nfs/dbraw/zinc/07/29/23/591072923.db2.gz MZYCROINRMLWMW-YESZJQIVSA-N 2 0 338.496 1.100 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000891448608 591075513 /nfs/dbraw/zinc/07/55/13/591075513.db2.gz RVAVYHNRVHJMOF-RHSMWYFYSA-N 2 0 334.464 1.691 20 0 EDADRP OCc1c[nH+]ccc1NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000892712933 591145326 /nfs/dbraw/zinc/14/53/26/591145326.db2.gz RFZZCKGEGCWEPO-UHFFFAOYSA-N 2 0 327.428 1.565 20 0 EDADRP CN1CCC(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)([NH+]2CCCCC2)CC1 ZINC000891605790 591146891 /nfs/dbraw/zinc/14/68/91/591146891.db2.gz IMQDKTMRHBUFRE-CALCHBBNSA-N 2 0 349.523 1.083 20 0 EDADRP COc1nccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)c1F ZINC000892762835 591167310 /nfs/dbraw/zinc/16/73/10/591167310.db2.gz KNSCNDQTWSIQQB-UHFFFAOYSA-N 2 0 336.455 1.878 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000891659335 591172090 /nfs/dbraw/zinc/17/20/90/591172090.db2.gz DTBOQEXZGOEGAU-HYVNUMGLSA-N 2 0 330.476 1.871 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C[N@@H+]1C1CC1 ZINC000891658913 591172319 /nfs/dbraw/zinc/17/23/19/591172319.db2.gz AUFBNUIOUCRSPY-XYPHTWIQSA-N 2 0 328.460 1.625 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892797931 591181548 /nfs/dbraw/zinc/18/15/48/591181548.db2.gz UGOJPOCNUFBLFV-LZQZEXGQSA-N 2 0 342.487 1.969 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000892809244 591189000 /nfs/dbraw/zinc/18/90/00/591189000.db2.gz UMGSOWQFXYGEOF-OALUTQOASA-N 2 0 342.487 1.971 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892817146 591190421 /nfs/dbraw/zinc/19/04/21/591190421.db2.gz AGPCDXOKQMZHQP-HUUCEWRRSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892858643 591207374 /nfs/dbraw/zinc/20/73/74/591207374.db2.gz MTMFHKHJVYEJLS-IYBDPMFKSA-N 2 0 339.528 1.314 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@]2(C)Br)CC1 ZINC000892880161 591215242 /nfs/dbraw/zinc/21/52/42/591215242.db2.gz WHHRNKWAFQECEJ-WFASDCNBSA-N 2 0 346.313 1.692 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccnc2N2CCC(C(N)=O)CC2)CC1 ZINC000892885722 591215318 /nfs/dbraw/zinc/21/53/18/591215318.db2.gz JKIKUIRFIZCSPA-UHFFFAOYSA-N 2 0 345.491 1.215 20 0 EDADRP OCc1c[nH+]ccc1NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000891769947 591219148 /nfs/dbraw/zinc/21/91/48/591219148.db2.gz DTLFPUQAJHZGCP-UHFFFAOYSA-N 2 0 326.444 1.620 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H](CO)C2CC2)c2c1OC(F)(F)O2 ZINC000894268509 591258137 /nfs/dbraw/zinc/25/81/37/591258137.db2.gz FYXYHNBWCLOQPI-ZDUSSCGKSA-N 2 0 328.359 1.930 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1ncnc2sc(NC[C@@H]3CC[N@H+]3C)nc21 ZINC000895769242 591268876 /nfs/dbraw/zinc/26/88/76/591268876.db2.gz PCLPTWYPQZNBNY-MNOVXSKESA-N 2 0 333.465 1.318 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000895851820 591287663 /nfs/dbraw/zinc/28/76/63/591287663.db2.gz WRKXIUKYFALXKV-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895850798 591287884 /nfs/dbraw/zinc/28/78/84/591287884.db2.gz KYWJSKPYFUAXAP-YESZJQIVSA-N 2 0 336.480 1.118 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900326 591300069 /nfs/dbraw/zinc/30/00/69/591300069.db2.gz FGFOGHHIQJODRZ-QZTJIDSGSA-N 2 0 334.508 1.987 20 0 EDADRP CN(CCC[N@H+](C)[C@H]1CCC2(C[C@@H]1F)OCCO2)CC[NH+](C)C ZINC000894523777 591332624 /nfs/dbraw/zinc/33/26/24/591332624.db2.gz NBXHHLIOSQNMRC-HOTGVXAUSA-N 2 0 331.476 1.435 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000896241299 591398097 /nfs/dbraw/zinc/39/80/97/591398097.db2.gz XUUKOAJHRPWJFN-GOSISDBHSA-N 2 0 345.491 1.062 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896375389 591442882 /nfs/dbraw/zinc/44/28/82/591442882.db2.gz IJCRIGFGTLZWFU-OALUTQOASA-N 2 0 343.471 1.488 20 0 EDADRP Cc1[nH+]ccc(N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1Br ZINC000894863668 591449574 /nfs/dbraw/zinc/44/95/74/591449574.db2.gz UFOGWIKNGVQRRC-NSHDSACASA-N 2 0 328.254 1.832 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000897483237 591489638 /nfs/dbraw/zinc/48/96/38/591489638.db2.gz MRHKKMPRGLBQCP-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CN1CC[C@H]1C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000896591428 591545050 /nfs/dbraw/zinc/54/50/50/591545050.db2.gz CQFCKMIKBOIDDI-HNNXBMFYSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000898992038 591623970 /nfs/dbraw/zinc/62/39/70/591623970.db2.gz SQEIBTBOVSWDDD-PMPSAXMXSA-N 2 0 328.501 1.059 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898988481 591627553 /nfs/dbraw/zinc/62/75/53/591627553.db2.gz XQRPBTYAHZOQRO-ZWKOTPCHSA-N 2 0 329.444 1.098 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000898993407 591633440 /nfs/dbraw/zinc/63/34/40/591633440.db2.gz PTVUYHVMPUKHQY-PMPSAXMXSA-N 2 0 328.501 1.059 20 0 EDADRP CN(C)[C@@H](CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(F)(F)F ZINC000896878719 591644518 /nfs/dbraw/zinc/64/45/18/591644518.db2.gz KJKGQMKSSBOVNL-ZDUSSCGKSA-N 2 0 325.419 1.694 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897738420 591657270 /nfs/dbraw/zinc/65/72/70/591657270.db2.gz BAIFCFORERLSFX-UHFFFAOYSA-N 2 0 343.471 1.440 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)NCCN1CCC2(C1)OCCO2 ZINC000899058868 591658230 /nfs/dbraw/zinc/65/82/30/591658230.db2.gz XXRQZJJYYSPIOG-UHFFFAOYSA-N 2 0 327.469 1.064 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895326211 591714772 /nfs/dbraw/zinc/71/47/72/591714772.db2.gz YIUOGWRWXPUKJH-HRCADAONSA-N 2 0 331.476 1.482 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(CCc2cnccn2)CC1 ZINC000899173988 591718341 /nfs/dbraw/zinc/71/83/41/591718341.db2.gz XUCYFHBUCQIDFU-MRXNPFEDSA-N 2 0 331.464 1.036 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000899224053 591741214 /nfs/dbraw/zinc/74/12/14/591741214.db2.gz MHFHPRMGNGLTPH-CQSZACIVSA-N 2 0 345.447 1.128 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(F)c1 ZINC000895459546 591765299 /nfs/dbraw/zinc/76/52/99/591765299.db2.gz AQUZNDUFZKFQGX-DLBZAZTESA-N 2 0 335.423 1.265 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235967 591781185 /nfs/dbraw/zinc/78/11/85/591781185.db2.gz VITMAFYHPNZNFW-WMLDXEAASA-N 2 0 349.479 1.143 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110102 591785858 /nfs/dbraw/zinc/78/58/58/591785858.db2.gz NZLGSYLRXOZYOV-KRWDZBQOSA-N 2 0 335.492 1.356 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)cn21 ZINC000895533380 591791434 /nfs/dbraw/zinc/79/14/34/591791434.db2.gz HUBCHCDLAUMZOE-GDBMZVCRSA-N 2 0 327.432 1.531 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961404 591840028 /nfs/dbraw/zinc/84/00/28/591840028.db2.gz OSLAAXXVGWOTSP-QAPCUYQASA-N 2 0 335.448 1.380 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000900106622 591909143 /nfs/dbraw/zinc/90/91/43/591909143.db2.gz PHPAEOUMQHZYPE-QUCCMNQESA-N 2 0 345.487 1.787 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900191733 591935282 /nfs/dbraw/zinc/93/52/82/591935282.db2.gz DKJMUKCNVGDUOY-UHFFFAOYSA-N 2 0 342.487 1.858 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900203675 591940848 /nfs/dbraw/zinc/94/08/48/591940848.db2.gz FKBVTHLTIJEPNB-ROUUACIJSA-N 2 0 338.540 1.639 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000902328367 591979673 /nfs/dbraw/zinc/97/96/73/591979673.db2.gz JHBVOJFHAINUBQ-QGZVFWFLSA-N 2 0 344.503 1.703 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@]3(C)C[C@H](O)C[N@@H+]3C)C2)CC1 ZINC000900453935 592021802 /nfs/dbraw/zinc/02/18/02/592021802.db2.gz QCMAZBQAYYSBNC-JENIJYKNSA-N 2 0 337.508 1.412 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900574569 592056151 /nfs/dbraw/zinc/05/61/51/592056151.db2.gz KWHMWFUAQPPSKA-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP Cc1ccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000902811264 592069205 /nfs/dbraw/zinc/06/92/05/592069205.db2.gz OYRMSKCUAMUBCZ-JKSUJKDBSA-N 2 0 346.431 1.604 20 0 EDADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900744256 592115926 /nfs/dbraw/zinc/11/59/26/592115926.db2.gz CXYOPAKTYNOIKE-RGVPCPSESA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@@]23CCOC3)(N2CCCCC2)CC1 ZINC000903104760 592120988 /nfs/dbraw/zinc/12/09/88/592120988.db2.gz XMLNBTHAWCMYOC-PKOBYXMFSA-N 2 0 337.508 1.474 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000903191175 592136551 /nfs/dbraw/zinc/13/65/51/592136551.db2.gz PAYLQMOYOJQXJW-LSDHHAIUSA-N 2 0 345.553 1.947 20 0 EDADRP COc1cc(C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)ccc1C ZINC000903431352 592168373 /nfs/dbraw/zinc/16/83/73/592168373.db2.gz VCSSSJLXXOIZKZ-WBVHZDCISA-N 2 0 331.460 1.889 20 0 EDADRP COc1cc(OC)cc(C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903431745 592169054 /nfs/dbraw/zinc/16/90/54/592169054.db2.gz XPCNRONOBHMMFP-ZBFHGGJFSA-N 2 0 347.459 1.589 20 0 EDADRP Cc1cccc(C)c1NC(=O)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903441520 592170701 /nfs/dbraw/zinc/17/07/01/592170701.db2.gz WFBHZCGQWDLMCX-MSOLQXFVSA-N 2 0 344.503 1.987 20 0 EDADRP COC[C@H](C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C(C)C ZINC000903460101 592171713 /nfs/dbraw/zinc/17/17/13/592171713.db2.gz XCRWXJHKFQEGDA-USXIJHARSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903442007 592172331 /nfs/dbraw/zinc/17/23/31/592172331.db2.gz FOJQMSMRCFMLDM-MHORFTMASA-N 2 0 336.524 1.426 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[NH2+]C12CCCC2 ZINC000903485784 592178684 /nfs/dbraw/zinc/17/86/84/592178684.db2.gz QSWYFXGWXCHQGO-MRXNPFEDSA-N 2 0 327.428 1.937 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(=O)Nc1ccccc1)C2 ZINC000903491793 592185042 /nfs/dbraw/zinc/18/50/42/592185042.db2.gz AYHNIZUDRQLQSB-IYOUNJFTSA-N 2 0 331.416 1.228 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906646854 592231853 /nfs/dbraw/zinc/23/18/53/592231853.db2.gz YKBBBANCXFZXPC-CQSZACIVSA-N 2 0 346.475 1.667 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CC[NH3+])C2)cc1OC ZINC000904405083 592250356 /nfs/dbraw/zinc/25/03/56/592250356.db2.gz IVSMNQYZVCTYOR-CQSZACIVSA-N 2 0 335.448 1.381 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000901134846 592252212 /nfs/dbraw/zinc/25/22/12/592252212.db2.gz IYYDHAIORODDTG-ROUUACIJSA-N 2 0 336.524 1.345 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000904416935 592252690 /nfs/dbraw/zinc/25/26/90/592252690.db2.gz UJESUHNUMOWFKH-WMZOPIPTSA-N 3 0 346.523 1.804 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]ccc2n1 ZINC000906672434 592254056 /nfs/dbraw/zinc/25/40/56/592254056.db2.gz ZFBITKWVWIFURM-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904432931 592255976 /nfs/dbraw/zinc/25/59/76/592255976.db2.gz JBYOMIKEBLOJLJ-FUHWJXTLSA-N 2 0 334.508 1.985 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000908010152 592261612 /nfs/dbraw/zinc/26/16/12/592261612.db2.gz SJFAKWLGTPXLFP-JXMROGBWSA-N 2 0 331.460 1.849 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904509707 592273331 /nfs/dbraw/zinc/27/33/31/592273331.db2.gz JYWINTUYHBGAKO-DLBZAZTESA-N 2 0 332.448 1.469 20 0 EDADRP Cn1ccnc1CN(C[C@@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746069 592293080 /nfs/dbraw/zinc/29/30/80/592293080.db2.gz VNKIDDNVUYZACB-SJORKVTESA-N 2 0 331.508 1.754 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000901236887 592297485 /nfs/dbraw/zinc/29/74/85/592297485.db2.gz ZFHGHJVXUIYALN-FUHWJXTLSA-N 2 0 341.459 1.620 20 0 EDADRP c1cc2c(cc1-c1nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638659 592300139 /nfs/dbraw/zinc/30/01/39/592300139.db2.gz QOAZWQAVZNBVKW-HOCLYGCPSA-N 2 0 342.399 1.754 20 0 EDADRP c1cc(-c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904642716 592301718 /nfs/dbraw/zinc/30/17/18/592301718.db2.gz DSNNLMMEEQZLDG-BBRMVZONSA-N 2 0 341.415 1.703 20 0 EDADRP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739686 592301963 /nfs/dbraw/zinc/30/19/63/592301963.db2.gz OEVCUULWKBRCKE-FGTMMUONSA-N 2 0 333.480 1.376 20 0 EDADRP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC000903784481 592322366 /nfs/dbraw/zinc/32/23/66/592322366.db2.gz PYRXCIWBXUWGMX-FWCIAMDOSA-N 2 0 330.476 1.899 20 0 EDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC(=O)N1CCc3[nH]c4ccccc4c3C1)C2 ZINC000903845572 592344000 /nfs/dbraw/zinc/34/40/00/592344000.db2.gz IZVUENMLXMITKU-KKUMJFAQSA-N 2 0 338.455 1.864 20 0 EDADRP O=C(N[C@@H]1CCc2cncn2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000908135100 592346588 /nfs/dbraw/zinc/34/65/88/592346588.db2.gz JQVMXQLLJSFPFT-HWOWSKLDSA-N 2 0 332.448 1.205 20 0 EDADRP CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000903871065 592353463 /nfs/dbraw/zinc/35/34/63/592353463.db2.gz MGCCUKUWGOGAJF-NYHFZMIOSA-N 2 0 330.542 1.663 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](Cc2ccccc2)C[C@H](C)O)cnn1C ZINC000903884637 592362208 /nfs/dbraw/zinc/36/22/08/592362208.db2.gz FMFOIYMHPDPCTD-MAUKXSAKSA-N 2 0 330.476 1.729 20 0 EDADRP Cc1cnn([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893278 592366584 /nfs/dbraw/zinc/36/65/84/592366584.db2.gz UIXILZNTAGNSKJ-AEFFLSMTSA-N 2 0 330.480 1.688 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903894956 592366729 /nfs/dbraw/zinc/36/67/29/592366729.db2.gz IRNVUIOUEXNOKP-SJORKVTESA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([NH+]3CCCC3)CC2)cnn1C ZINC000903896106 592367716 /nfs/dbraw/zinc/36/77/16/592367716.db2.gz SGUNJVVQEPPXMO-MJGOQNOKSA-N 2 0 333.524 1.796 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000903909314 592373857 /nfs/dbraw/zinc/37/38/57/592373857.db2.gz TWDZVBGERHURHN-INIZCTEOSA-N 3 0 332.496 1.510 20 0 EDADRP c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903919865 592376863 /nfs/dbraw/zinc/37/68/63/592376863.db2.gz PWWJUIKSBMVTGM-UHFFFAOYSA-N 3 0 328.504 1.638 20 0 EDADRP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199541 592377560 /nfs/dbraw/zinc/37/75/60/592377560.db2.gz GIIFNJYKGSPXSC-IRXDYDNUSA-N 2 0 342.443 1.572 20 0 EDADRP C[C@H]1CN(c2ccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CCO1 ZINC000903921116 592378204 /nfs/dbraw/zinc/37/82/04/592378204.db2.gz NCJASGVEZHCPTR-MIGBEJBISA-N 2 0 330.476 1.927 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)c1 ZINC000903926854 592380428 /nfs/dbraw/zinc/38/04/28/592380428.db2.gz UYGDISUXEAMQJK-INIZCTEOSA-N 2 0 343.475 1.038 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCCc3c2ccc(=O)n3C)cnn1C ZINC000903931973 592383402 /nfs/dbraw/zinc/38/34/02/592383402.db2.gz KOWBITOIQFDWQB-PBHICJAKSA-N 2 0 343.475 1.212 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2cn3c(cccc3C)n2)cnn1C ZINC000903931191 592383876 /nfs/dbraw/zinc/38/38/76/592383876.db2.gz AOPCEXQDAKFAFR-MRXNPFEDSA-N 2 0 340.475 1.634 20 0 EDADRP [NH3+]C1CCN(Cc2cn([C@H]3CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000905057872 592395073 /nfs/dbraw/zinc/39/50/73/592395073.db2.gz ZSDHRHVHBXVLGT-IBGZPJMESA-N 2 0 340.475 1.648 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000903977056 592398902 /nfs/dbraw/zinc/39/89/02/592398902.db2.gz HXSYOVIBQJFANG-VBQJREDUSA-N 2 0 346.456 1.851 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000906929726 592413258 /nfs/dbraw/zinc/41/32/58/592413258.db2.gz VSLMTVJNLKNCBN-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2cccn2CCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000906941556 592420904 /nfs/dbraw/zinc/42/09/04/592420904.db2.gz NSZMJHFKAIUPGG-HZPDHXFCSA-N 2 0 346.475 1.175 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905154424 592423744 /nfs/dbraw/zinc/42/37/44/592423744.db2.gz OVDGUCKFQHXBFZ-QZTJIDSGSA-N 2 0 328.497 1.237 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@]23CCC[C@H]2C[NH2+]C3)c1 ZINC000904294883 592470509 /nfs/dbraw/zinc/47/05/09/592470509.db2.gz JSUCYMNSHCTBQK-KSSFIOAISA-N 2 0 332.448 1.891 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])c1 ZINC000904295421 592470584 /nfs/dbraw/zinc/47/05/84/592470584.db2.gz POIYSFLXJJTION-KBXCAEBGSA-N 2 0 332.448 1.972 20 0 EDADRP CC[NH+]1CCC(NC(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000905380155 592512501 /nfs/dbraw/zinc/51/25/01/592512501.db2.gz KJJJPTIQLIRMDG-UHFFFAOYSA-N 2 0 334.464 1.034 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908524699 592520526 /nfs/dbraw/zinc/52/05/26/592520526.db2.gz HNGXUMRWCBQXKJ-WMZOPIPTSA-N 2 0 325.497 1.460 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905503251 592546162 /nfs/dbraw/zinc/54/61/62/592546162.db2.gz OESYEJQTWBDUTA-DUQPFJRNSA-N 2 0 328.497 1.089 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000905504803 592546816 /nfs/dbraw/zinc/54/68/16/592546816.db2.gz YGJIVLORWBNZDN-IEWDOMPSSA-N 2 0 342.524 1.623 20 0 EDADRP C[C@@H]1[C@@H]([NH2+]C[C@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000905542351 592557251 /nfs/dbraw/zinc/55/72/51/592557251.db2.gz JBOXYZHYBWMKKU-VKJFTORMSA-N 2 0 341.496 1.821 20 0 EDADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000907286461 592584703 /nfs/dbraw/zinc/58/47/03/592584703.db2.gz QLRQTWBYZRFIGU-JKSUJKDBSA-N 2 0 336.524 1.249 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000907878316 592826153 /nfs/dbraw/zinc/82/61/53/592826153.db2.gz QINTYOXMUDCHNJ-QGZVFWFLSA-N 2 0 326.529 1.639 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H]1CCCO1 ZINC000906489360 592831079 /nfs/dbraw/zinc/83/10/79/592831079.db2.gz SQERBSKWGPHGNG-ZACQAIPSSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000911670474 592975416 /nfs/dbraw/zinc/97/54/16/592975416.db2.gz MHLZNKTUKNSRDL-YVMONPNESA-N 2 0 331.460 1.838 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912350578 593087964 /nfs/dbraw/zinc/08/79/64/593087964.db2.gz FCFNYRGFFJINHL-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000838303005 593153785 /nfs/dbraw/zinc/15/37/85/593153785.db2.gz RCLSASWPZQALDJ-LSDHHAIUSA-N 2 0 326.485 1.269 20 0 EDADRP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000838853113 593225728 /nfs/dbraw/zinc/22/57/28/593225728.db2.gz IVLBDEUHCUAWMO-IRXDYDNUSA-N 2 0 339.524 1.924 20 0 EDADRP C[NH+](C)CCNC(=S)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802721479 593272325 /nfs/dbraw/zinc/27/23/25/593272325.db2.gz VAVLJQNTDUIVMA-CQSZACIVSA-N 2 0 328.913 1.968 20 0 EDADRP CC[C@@H]1CCC[N@@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986600 593294162 /nfs/dbraw/zinc/29/41/62/593294162.db2.gz DXEYWFVNDTXSBN-KURKYZTESA-N 2 0 341.455 1.935 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000809740738 593357204 /nfs/dbraw/zinc/35/72/04/593357204.db2.gz BYODDAAVXIURIJ-INIZCTEOSA-N 2 0 342.528 1.811 20 0 EDADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000813325835 593526498 /nfs/dbraw/zinc/52/64/98/593526498.db2.gz LPNGQBUWCLOSFA-MAUKXSAKSA-N 2 0 345.487 1.790 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)[C@@H]2C1 ZINC000813821550 593556628 /nfs/dbraw/zinc/55/66/28/593556628.db2.gz VPZLPENZKFQQPO-IEBWSBKVSA-N 2 0 342.487 1.997 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)OC)C2)CC[NH2+]CC1 ZINC000817903253 593647234 /nfs/dbraw/zinc/64/72/34/593647234.db2.gz LJVBKGFZNHSFTP-ZIAGYGMSSA-N 2 0 341.452 1.128 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000818997864 593733041 /nfs/dbraw/zinc/73/30/41/593733041.db2.gz MUAUQLAKEIQZMH-DLBZAZTESA-N 2 0 337.439 1.391 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819387537 593753114 /nfs/dbraw/zinc/75/31/14/593753114.db2.gz AHSQUDBXJMMWST-KRWDZBQOSA-N 2 0 327.419 1.614 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000824200065 593954447 /nfs/dbraw/zinc/95/44/47/593954447.db2.gz AUAHTQGJYCECOD-OALUTQOASA-N 2 0 343.471 1.584 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189630 593986032 /nfs/dbraw/zinc/98/60/32/593986032.db2.gz QQAKKFFCVBKTTO-KRWDZBQOSA-N 2 0 344.463 1.799 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824578807 594041581 /nfs/dbraw/zinc/04/15/81/594041581.db2.gz WRBVFMRAHQFAJU-NSHDSACASA-N 2 0 334.399 1.113 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594146 594044780 /nfs/dbraw/zinc/04/47/80/594044780.db2.gz WXEFUFNYIQNOHQ-CQSZACIVSA-N 2 0 329.452 1.155 20 0 EDADRP Cc1cc(NC(=O)COC2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000822463831 594052447 /nfs/dbraw/zinc/05/24/47/594052447.db2.gz PGTMTSIKMYOFFE-UHFFFAOYSA-N 2 0 349.475 1.985 20 0 EDADRP CCN1CCO[C@@H](CNc2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000825465350 594189451 /nfs/dbraw/zinc/18/94/51/594189451.db2.gz KMRPZYGPTRPTIY-ZDUSSCGKSA-N 2 0 343.435 1.273 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825576290 594202844 /nfs/dbraw/zinc/20/28/44/594202844.db2.gz DCYAAEYRPSIDFX-CZUORRHYSA-N 2 0 332.452 1.874 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956268 594537268 /nfs/dbraw/zinc/53/72/68/594537268.db2.gz LFDBPAIRTLJMNQ-ZIAGYGMSSA-N 2 0 340.855 1.270 20 0 EDADRP C[NH+]1CCC(OCC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000826634483 594543948 /nfs/dbraw/zinc/54/39/48/594543948.db2.gz HARBZQHYLMNMHP-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000831138125 594566284 /nfs/dbraw/zinc/56/62/84/594566284.db2.gz LDXQUJAWTXUMPF-CVEARBPZSA-N 2 0 326.485 1.183 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC000829214484 594582585 /nfs/dbraw/zinc/58/25/85/594582585.db2.gz CYAGRBHWITUPLF-OAHLLOKOSA-N 2 0 332.448 1.230 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@]1(F)CC[NH2+]C1 ZINC000829225063 594584251 /nfs/dbraw/zinc/58/42/51/594584251.db2.gz BKIUSBNCILDRSF-RGPMPMONSA-N 2 0 331.435 2.000 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000827462333 594674465 /nfs/dbraw/zinc/67/44/65/594674465.db2.gz MZQKMSOCRUKQQG-BBWFWOEESA-N 2 0 336.524 1.486 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)[C@H]1COCC12OCCO2)C1CC[NH+](C)CC1 ZINC000840797780 594816965 /nfs/dbraw/zinc/81/69/65/594816965.db2.gz AQWGBWMDFYINLX-GDBMZVCRSA-N 2 0 326.481 1.722 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000841851549 594965803 /nfs/dbraw/zinc/96/58/03/594965803.db2.gz XWMVWQQETCWORJ-ROUUACIJSA-N 2 0 331.460 1.491 20 0 EDADRP C[C@]1(CNC(=O)NCC[NH2+]C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841895294 594975925 /nfs/dbraw/zinc/97/59/25/594975925.db2.gz BZPSPYBYCWYRFA-LJQANCHMSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC1=CC[NH2+]CC1 ZINC000841971974 594992734 /nfs/dbraw/zinc/99/27/34/594992734.db2.gz RATJNPHOCAZXHI-UHFFFAOYSA-N 2 0 330.476 1.722 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000842012303 595002243 /nfs/dbraw/zinc/00/22/43/595002243.db2.gz ZWJZZAULAHWSDF-ZWKOTPCHSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@H](O)CCON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000842027661 595005467 /nfs/dbraw/zinc/00/54/67/595005467.db2.gz GDSSMCPOLHXUDC-INIZCTEOSA-N 2 0 334.464 1.464 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC[N@@H+]1C ZINC000843328867 595075480 /nfs/dbraw/zinc/07/54/80/595075480.db2.gz PTOSGDXIEPPBIT-CXAGYDPISA-N 2 0 345.443 1.874 20 0 EDADRP C[N@H+](Cc1ccc(S(=O)(=O)N2CCCC2)o1)C1CCC([NH3+])CC1 ZINC000843354998 595085575 /nfs/dbraw/zinc/08/55/75/595085575.db2.gz IFVYNPPWSKCZMY-UHFFFAOYSA-N 2 0 341.477 1.766 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000846218150 595176674 /nfs/dbraw/zinc/17/66/74/595176674.db2.gz MDBNRDPSWZAZSF-IBGZPJMESA-N 2 0 344.503 1.929 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000834848917 595230327 /nfs/dbraw/zinc/23/03/27/595230327.db2.gz KSVSULIFBMFVGF-AEFFLSMTSA-N 2 0 325.497 1.853 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2ccccc2C(=O)NCC[NH3+])CC1 ZINC000844194878 595299321 /nfs/dbraw/zinc/29/93/21/595299321.db2.gz KVTNIPLWDBKFFZ-UHFFFAOYSA-N 2 0 332.448 1.434 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000844202003 595301411 /nfs/dbraw/zinc/30/14/11/595301411.db2.gz HQYVEQZKYROMSB-GOSISDBHSA-N 2 0 334.439 1.848 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221081 595306264 /nfs/dbraw/zinc/30/62/64/595306264.db2.gz SQVXKNZPUZMHCU-GOSISDBHSA-N 2 0 334.464 1.425 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000847311833 595393564 /nfs/dbraw/zinc/39/35/64/595393564.db2.gz ISTXIUAWCJMKHR-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000847406175 595412559 /nfs/dbraw/zinc/41/25/59/595412559.db2.gz BKESPEGAQXDYJQ-GBESFXJTSA-N 2 0 343.471 1.488 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848893089 595464234 /nfs/dbraw/zinc/46/42/34/595464234.db2.gz PGAYQDWANCMZFN-KIUWMYQTSA-N 2 0 335.448 1.581 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000848896106 595464367 /nfs/dbraw/zinc/46/43/67/595464367.db2.gz RXBGZFJNVUUEQT-LQYUOIDQSA-N 2 0 335.448 1.439 20 0 EDADRP CC(C)(CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCCCC1 ZINC000849055541 595476165 /nfs/dbraw/zinc/47/61/65/595476165.db2.gz JEPSDDBCMHLYHC-UHFFFAOYSA-N 2 0 345.495 1.387 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(C)c1 ZINC000849068167 595477511 /nfs/dbraw/zinc/47/75/11/595477511.db2.gz LRAYWZZBHCXSIQ-JKSUJKDBSA-N 2 0 334.464 1.333 20 0 EDADRP [NH2+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCSCC1 ZINC000849073236 595478207 /nfs/dbraw/zinc/47/82/07/595478207.db2.gz YGJKZTWMNWKFOK-UHFFFAOYSA-N 3 0 348.520 1.167 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCCC1 ZINC000849501802 595553422 /nfs/dbraw/zinc/55/34/22/595553422.db2.gz AUOGJSBCWSJNQX-KBAYOESNSA-N 2 0 347.507 1.304 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574113 595576447 /nfs/dbraw/zinc/57/64/47/595576447.db2.gz WHJJZTFTBFBNDC-HZPDHXFCSA-N 2 0 333.480 1.008 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852870527 595590527 /nfs/dbraw/zinc/59/05/27/595590527.db2.gz DGWXDCIJHKGPDA-BMFZPTHFSA-N 2 0 330.432 1.117 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCc2nccn2CCCc2ccccc2)=NO1 ZINC000852873048 595591170 /nfs/dbraw/zinc/59/11/70/595591170.db2.gz VDYQCTHTUKQOCZ-HNNXBMFYSA-N 2 0 341.415 1.236 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873202 595592287 /nfs/dbraw/zinc/59/22/87/595592287.db2.gz QNRYFOWRFUKQGJ-IAGOWNOFSA-N 2 0 332.448 1.131 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CC([NH+](C)C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849613404 595596459 /nfs/dbraw/zinc/59/64/59/595596459.db2.gz QRKVMWRKLDPHHQ-OPQOLIRYSA-N 2 0 347.507 1.443 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000852888022 595599544 /nfs/dbraw/zinc/59/95/44/595599544.db2.gz GYLHJKKHAKZHEP-PVAVHDDUSA-N 2 0 344.459 1.507 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852893167 595602853 /nfs/dbraw/zinc/60/28/53/595602853.db2.gz GCGUAQAWVMRTGC-MRXNPFEDSA-N 2 0 345.447 1.250 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000858192586 595725413 /nfs/dbraw/zinc/72/54/13/595725413.db2.gz LHIXYWDNYBLLSN-GVDBMIGSSA-N 2 0 336.480 1.166 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858348000 595771005 /nfs/dbraw/zinc/77/10/05/595771005.db2.gz BZMOYJVIZAQABF-UHFFFAOYSA-N 2 0 348.491 1.638 20 0 EDADRP CCOC(=O)NC1CCC([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000850432792 595832665 /nfs/dbraw/zinc/83/26/65/595832665.db2.gz FKGCFNXLJKMGJW-QQFBHYJXSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851677025 595880863 /nfs/dbraw/zinc/88/08/63/595880863.db2.gz RZFRGOGQCVGOPS-AEFFLSMTSA-N 2 0 336.480 1.025 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856584422 596020078 /nfs/dbraw/zinc/02/00/78/596020078.db2.gz JWFIDILQSKSYFL-PBHICJAKSA-N 2 0 332.448 1.123 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)NC(C)C)C2)ccn1 ZINC000856591867 596027333 /nfs/dbraw/zinc/02/73/33/596027333.db2.gz QOYCMTVSTCIVOG-SFHVURJKSA-N 2 0 348.491 1.901 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861630118 596051742 /nfs/dbraw/zinc/05/17/42/596051742.db2.gz OXVCEQXXJSWYSX-IBGZPJMESA-N 2 0 348.491 1.434 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000861630760 596052450 /nfs/dbraw/zinc/05/24/50/596052450.db2.gz OXYFFBIMNROATL-QFWMXSHPSA-N 2 0 336.402 1.780 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]2CC3(CC[C@@H]21)OCCO3 ZINC000852140873 596059557 /nfs/dbraw/zinc/05/95/57/596059557.db2.gz KZIKVPNFNULANB-ZACQAIPSSA-N 2 0 326.481 1.695 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCC([NH+]3CCN(C)CC3)CC2)cc1 ZINC000866705048 596301325 /nfs/dbraw/zinc/30/13/25/596301325.db2.gz ZSJNAPFNEJZXBC-SFHVURJKSA-N 2 0 346.519 1.449 20 0 EDADRP CCc1ccc(CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866714678 596306482 /nfs/dbraw/zinc/30/64/82/596306482.db2.gz VBELBUXNUBCXHP-KSZLIROESA-N 2 0 329.444 1.658 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC000866723539 596310274 /nfs/dbraw/zinc/31/02/74/596310274.db2.gz FJGHOUUVNIQIRQ-KZNAEPCWSA-N 2 0 330.476 1.232 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867744 596383354 /nfs/dbraw/zinc/38/33/54/596383354.db2.gz KYUYEVARISVMTH-KBPBESRZSA-N 2 0 334.489 1.967 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)CC2)cn1 ZINC000871158598 596483662 /nfs/dbraw/zinc/48/36/62/596483662.db2.gz GIYOTMJQIWVAQU-DLBZAZTESA-N 2 0 347.507 1.398 20 0 EDADRP C[NH+](C)C1(C)CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000867742253 596528024 /nfs/dbraw/zinc/52/80/24/596528024.db2.gz FVAKKKQIFUWLIM-UHFFFAOYSA-N 2 0 331.526 1.655 20 0 EDADRP C/C=C/C[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000863341062 596556666 /nfs/dbraw/zinc/55/66/66/596556666.db2.gz TZTUMIKWBXBTAF-NHZBNJEXSA-N 2 0 334.464 1.638 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865500985 596592746 /nfs/dbraw/zinc/59/27/46/596592746.db2.gz JSPVGMNIYWUCRE-NSHDSACASA-N 2 0 330.354 1.522 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000871543008 596621473 /nfs/dbraw/zinc/62/14/73/596621473.db2.gz MBFUDEOXARHRHO-AWEZNQCLSA-N 2 0 325.453 1.003 20 0 EDADRP C[N@H+](CCOCC[NH3+])CC1CCN(C(=O)OCc2ccccc2)CC1 ZINC000863653062 596644744 /nfs/dbraw/zinc/64/47/44/596644744.db2.gz ZJTOLPRSKJZMBR-UHFFFAOYSA-N 2 0 349.475 1.942 20 0 EDADRP Cc1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)n(C2CC[NH+](C)CC2)n1 ZINC000868130826 596697240 /nfs/dbraw/zinc/69/72/40/596697240.db2.gz SLHGQVWWKDSZGS-JKSUJKDBSA-N 2 0 346.479 1.816 20 0 EDADRP Cc1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)nnn1C1CC[NH2+]CC1 ZINC000871791723 596701397 /nfs/dbraw/zinc/70/13/97/596701397.db2.gz HVNZMIFESBXPJV-YHWZYXNKSA-N 2 0 343.435 1.559 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868163474 596706738 /nfs/dbraw/zinc/70/67/38/596706738.db2.gz LKXBBXKFMIROCA-IAGOWNOFSA-N 3 0 347.507 1.609 20 0 EDADRP Cc1[nH]c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)c1C=O ZINC000870016279 596708735 /nfs/dbraw/zinc/70/87/35/596708735.db2.gz HFIQUWWBEROHHI-HUUCEWRRSA-N 2 0 334.464 1.255 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]cnc2C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870017342 596709525 /nfs/dbraw/zinc/70/95/25/596709525.db2.gz KYJMBAFOENLXBI-ZIAGYGMSSA-N 2 0 335.496 1.519 20 0 EDADRP Cc1c(Cl)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C ZINC000870017704 596709556 /nfs/dbraw/zinc/70/95/56/596709556.db2.gz QLEHYCGSZBFLCN-CHWSQXEVSA-N 2 0 341.887 1.193 20 0 EDADRP CCOC(=O)C(C)(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018353 596710105 /nfs/dbraw/zinc/71/01/05/596710105.db2.gz OVDZHXIJGZOQKM-HUUCEWRRSA-N 2 0 341.496 1.164 20 0 EDADRP CC(=O)[C@@H]1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000870020023 596711404 /nfs/dbraw/zinc/71/14/04/596711404.db2.gz ZFZHDRIWIFMSFN-WCXIOVBPSA-N 2 0 337.508 1.436 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCCC3)C[C@H]1C[NH+](C)C ZINC000870019634 596711557 /nfs/dbraw/zinc/71/15/57/596711557.db2.gz LFIRKLIHHKIDBD-HUUCEWRRSA-N 2 0 347.507 1.490 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)ccc(F)c2F)C[C@H]1C[NH+](C)C ZINC000870019998 596711581 /nfs/dbraw/zinc/71/15/81/596711581.db2.gz YISSEOFTFMAXOW-VXGBXAGGSA-N 2 0 343.393 1.915 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2Cc3cc(F)ccc3O2)C[C@H]1C[NH+](C)C ZINC000870021368 596711878 /nfs/dbraw/zinc/71/18/78/596711878.db2.gz PFRGGPPDBFOJHH-IIDMSEBBSA-N 2 0 349.450 1.327 20 0 EDADRP CCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCOCC1 ZINC000870022511 596712664 /nfs/dbraw/zinc/71/26/64/596712664.db2.gz UPZMREVSAKCISD-HZPDHXFCSA-N 2 0 325.497 1.391 20 0 EDADRP CN1CCn2nc(NC(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cc2C1 ZINC000868203799 596722348 /nfs/dbraw/zinc/72/23/48/596722348.db2.gz HYGQYKRVQKJKPX-GJZGRUSLSA-N 2 0 346.479 1.572 20 0 EDADRP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969698 596738373 /nfs/dbraw/zinc/73/83/73/596738373.db2.gz YLZWWZKQQVLHKV-IAGOWNOFSA-N 2 0 326.481 1.229 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000864062506 596748930 /nfs/dbraw/zinc/74/89/30/596748930.db2.gz RDNZUYJIHBCJMV-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000868298183 596774498 /nfs/dbraw/zinc/77/44/98/596774498.db2.gz QEXHYFAEIKFSAJ-ZDUSSCGKSA-N 2 0 332.448 1.588 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cn2ccnc12 ZINC000868308188 596781961 /nfs/dbraw/zinc/78/19/61/596781961.db2.gz SSKACLRXONFVEM-BTTYYORXSA-N 2 0 341.415 1.228 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000872144129 596808837 /nfs/dbraw/zinc/80/88/37/596808837.db2.gz VJTHUAVBARTEMG-BBWFWOEESA-N 2 0 335.492 1.526 20 0 EDADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872158419 596817121 /nfs/dbraw/zinc/81/71/21/596817121.db2.gz UZZDUFUSPCIDKR-AEFFLSMTSA-N 3 0 336.524 1.428 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@H]1C ZINC000872191032 596828139 /nfs/dbraw/zinc/82/81/39/596828139.db2.gz WRSXALNGSWDGMB-HZPDHXFCSA-N 2 0 340.512 1.295 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000872194961 596829889 /nfs/dbraw/zinc/82/98/89/596829889.db2.gz HFZJEHSBVWPQJE-UHFFFAOYSA-N 2 0 340.512 1.297 20 0 EDADRP C([NH2+][C@]12CCC[C@H]1OCC2)C1(C[NH2+][C@]23CCC[C@H]2OCC3)COC1 ZINC000872314675 596878728 /nfs/dbraw/zinc/87/87/28/596878728.db2.gz BBWVIZLIMKLEQN-FPAYPSAMSA-N 2 0 336.476 1.605 20 0 EDADRP O=C(C[NH+]1CCCC1)NCc1cccc(NC(=O)C[NH+]2CCCC2)c1 ZINC000874061940 596913636 /nfs/dbraw/zinc/91/36/36/596913636.db2.gz STUAAINXYJRTSY-UHFFFAOYSA-N 2 0 344.459 1.433 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2ccc(C(F)(F)F)n2)C[C@H]1C[NH+](C)C ZINC000872637076 597002796 /nfs/dbraw/zinc/00/27/96/597002796.db2.gz VZNINCZXICQMKB-CHWSQXEVSA-N 2 0 333.402 1.531 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccns1 ZINC000875895468 597024618 /nfs/dbraw/zinc/02/46/18/597024618.db2.gz ZJHPOQFIVCWDAC-MGPQQGTHSA-N 2 0 339.509 1.585 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(Br)n1 ZINC000874382990 597050439 /nfs/dbraw/zinc/05/04/39/597050439.db2.gz YLKAOEJLVROPCT-UHFFFAOYSA-N 2 0 349.298 1.471 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874510225 597102822 /nfs/dbraw/zinc/10/28/22/597102822.db2.gz MWNRCPCWRCPOFO-CMKODMSKSA-N 2 0 327.472 1.919 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC(C)(C)CO1 ZINC000876330428 597171266 /nfs/dbraw/zinc/17/12/66/597171266.db2.gz ANFWPVCRDNAYQY-INIZCTEOSA-N 2 0 342.528 1.717 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876519530 597228015 /nfs/dbraw/zinc/22/80/15/597228015.db2.gz GYQGTYYURCWUMP-BBRMVZONSA-N 2 0 349.406 1.482 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873212003 597229784 /nfs/dbraw/zinc/22/97/84/597229784.db2.gz WEUOLUUFOQDACC-UHFFFAOYSA-N 3 0 336.549 1.757 20 0 EDADRP C[C@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CN1C1CC1 ZINC000873247068 597238653 /nfs/dbraw/zinc/23/86/53/597238653.db2.gz HSYXOQXBTZQLMT-ZFWWWQNUSA-N 2 0 326.448 1.441 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)cn1 ZINC000873310718 597253163 /nfs/dbraw/zinc/25/31/63/597253163.db2.gz NDYUVAMVNFUUIW-CMPLNLGQSA-N 2 0 348.373 1.046 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)CC1 ZINC000876719363 597303511 /nfs/dbraw/zinc/30/35/11/597303511.db2.gz JIALCGSVHOZEKU-SFHVURJKSA-N 2 0 332.492 1.424 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876719853 597304334 /nfs/dbraw/zinc/30/43/34/597304334.db2.gz WYAXFKAGBVYJGQ-YOEHRIQHSA-N 2 0 337.414 1.854 20 0 EDADRP CC1(C)[C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C[C@@H]1[NH3+] ZINC000876725088 597306886 /nfs/dbraw/zinc/30/68/86/597306886.db2.gz DTTWMYJJAKFHGV-IRXDYDNUSA-N 2 0 331.460 1.955 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)ccc1OCC[NH+](C)C ZINC000876731696 597311319 /nfs/dbraw/zinc/31/13/19/597311319.db2.gz SOPLXLRPEAHMLF-PBHICJAKSA-N 2 0 349.475 1.625 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000876935022 597389765 /nfs/dbraw/zinc/38/97/65/597389765.db2.gz MDNDJIAEYOYARJ-LSDHHAIUSA-N 2 0 331.464 1.521 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000875348878 597394683 /nfs/dbraw/zinc/39/46/83/597394683.db2.gz SIOYFFJPELKBRD-CGTJXYLNSA-N 2 0 347.507 1.566 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876964912 597399684 /nfs/dbraw/zinc/39/96/84/597399684.db2.gz VILJGAKIWHYELH-UBDQQSCGSA-N 2 0 349.450 1.595 20 0 EDADRP CN(CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(=O)OC(C)(C)C ZINC000876995499 597407242 /nfs/dbraw/zinc/40/72/42/597407242.db2.gz DSOTVRQZYYFHNF-UHFFFAOYSA-N 2 0 329.485 1.678 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@H]1C[NH2+]CCO1 ZINC000877031236 597417258 /nfs/dbraw/zinc/41/72/58/597417258.db2.gz SCZKFNUUUZUVIE-YXJHDRRASA-N 2 0 329.444 1.508 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877133467 597439658 /nfs/dbraw/zinc/43/96/58/597439658.db2.gz BUKZOBYSAOMMSX-NRSFXHEJSA-N 2 0 333.451 1.818 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000877258189 597482105 /nfs/dbraw/zinc/48/21/05/597482105.db2.gz KGXBLJFPZXECRT-KRWDZBQOSA-N 2 0 333.480 1.185 20 0 EDADRP Cn1ncc2cc(C[N@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)cnc21 ZINC000877525465 597530753 /nfs/dbraw/zinc/53/07/53/597530753.db2.gz DKAAYZBERDLWBQ-GOSISDBHSA-N 2 0 342.491 1.569 20 0 EDADRP COc1cccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1OC ZINC000877668201 597546423 /nfs/dbraw/zinc/54/64/23/597546423.db2.gz GFLPAIMUFMXPBJ-IAGOWNOFSA-N 2 0 335.492 1.875 20 0 EDADRP C(C(C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)C1CCCC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000877982450 597567878 /nfs/dbraw/zinc/56/78/78/597567878.db2.gz UBDVFSSIVMMADQ-VJANTYMQSA-N 3 0 332.536 1.095 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CC2(CO1)CCOCC2 ZINC000878288533 597592868 /nfs/dbraw/zinc/59/28/68/597592868.db2.gz YIIXGDLYBNUWTM-TVFCKZIOSA-N 2 0 338.492 1.756 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000878337068 597596523 /nfs/dbraw/zinc/59/65/23/597596523.db2.gz AVAVXRQSRPTNIM-UHFFFAOYSA-N 2 0 330.476 1.547 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000879535320 597623789 /nfs/dbraw/zinc/62/37/89/597623789.db2.gz BMDFMRROZSTQHZ-KGLIPLIRSA-N 2 0 342.484 1.042 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883212219 597687005 /nfs/dbraw/zinc/68/70/05/597687005.db2.gz DGLILWPISCFYEQ-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)C[N@@H+](CC(=O)N1C[C@@H](C)O[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879702318 597694423 /nfs/dbraw/zinc/69/44/23/597694423.db2.gz KDTLOOASTYBJOL-CALCHBBNSA-N 2 0 339.524 1.922 20 0 EDADRP CC(C)C[N@H+](C[C@H](O)COC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702676 597694890 /nfs/dbraw/zinc/69/48/90/597694890.db2.gz UOTYHNSECOODPA-RBUKOAKNSA-N 2 0 342.524 1.843 20 0 EDADRP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)[N@H+](C)C1CC1 ZINC000883332631 597716590 /nfs/dbraw/zinc/71/65/90/597716590.db2.gz ZPFWGPWMVOWPET-CABCVRRESA-N 2 0 331.464 1.784 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CC3CC3)C2)[C@H](C)C1 ZINC000883394658 597730973 /nfs/dbraw/zinc/73/09/73/597730973.db2.gz DYUSSIKGWSDAMR-NXHRZFHOSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866715 597739046 /nfs/dbraw/zinc/73/90/46/597739046.db2.gz VOZDSMABBNHDCU-CRAIPNDOSA-N 2 0 341.496 1.632 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883429083 597743439 /nfs/dbraw/zinc/74/34/39/597743439.db2.gz KYWZAMJGSHYNAT-KSZLIROESA-N 2 0 338.492 1.790 20 0 EDADRP CCC1([NH3+])CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000883628077 597836319 /nfs/dbraw/zinc/83/63/19/597836319.db2.gz ZKPSZGDAJSTZNS-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)COC2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000880260418 597885474 /nfs/dbraw/zinc/88/54/74/597885474.db2.gz DFLGLAINXOFNKP-WBVHZDCISA-N 2 0 335.448 1.149 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884017224 597969118 /nfs/dbraw/zinc/96/91/18/597969118.db2.gz PNZPUMLNIZYVEK-GXFFZTMASA-N 2 0 326.238 1.646 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884027645 597971992 /nfs/dbraw/zinc/97/19/92/597971992.db2.gz JDVMFRCYBFEOIK-ZWNOBZJWSA-N 2 0 326.238 1.517 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3C[NH2+]CC3(C)C)ccc2oc1=O ZINC000884206388 598028189 /nfs/dbraw/zinc/02/81/89/598028189.db2.gz UERAGSVJOPSVLA-CYBMUJFWSA-N 2 0 346.431 1.340 20 0 EDADRP CN(C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884213211 598031495 /nfs/dbraw/zinc/03/14/95/598031495.db2.gz WAQVBEWCGNEBQU-WBVHZDCISA-N 2 0 327.428 1.998 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884219486 598032864 /nfs/dbraw/zinc/03/28/64/598032864.db2.gz QMILJNVVVLGDRK-UHFFFAOYSA-N 2 0 345.491 1.343 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884254882 598044690 /nfs/dbraw/zinc/04/46/90/598044690.db2.gz UJGWKRCFTJXXHQ-WQAKAFBOSA-N 2 0 326.238 1.563 20 0 EDADRP COc1ccnc(OC)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000881085401 598070562 /nfs/dbraw/zinc/07/05/62/598070562.db2.gz KRKALPWDFYJMBC-UHFFFAOYSA-N 2 0 339.440 1.056 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000884370588 598084441 /nfs/dbraw/zinc/08/44/41/598084441.db2.gz OODLHNZHIIULAG-OAHLLOKOSA-N 2 0 331.460 1.889 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])Cc1cc3ccccc3o1)C2 ZINC000884443040 598106683 /nfs/dbraw/zinc/10/66/83/598106683.db2.gz XZRGFABVHFTPGO-ZYSHUDEJSA-N 2 0 327.428 1.761 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992743648 695264307 /nfs/dbraw/zinc/26/43/07/695264307.db2.gz PTFPWLODBLYNDL-UAGQMJEPSA-N 2 0 328.416 1.157 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC000992903427 695439923 /nfs/dbraw/zinc/43/99/23/695439923.db2.gz BDEXFUWHFXBEBB-CWRNSKLLSA-N 2 0 349.504 1.351 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC000994132651 696530241 /nfs/dbraw/zinc/53/02/41/696530241.db2.gz KHVQETZIZHCKGX-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC[C@H]1CCCO1 ZINC000916112460 696624382 /nfs/dbraw/zinc/62/43/82/696624382.db2.gz UPMORGFUOIUCQZ-OAHLLOKOSA-N 2 0 330.542 1.245 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCOC1CCC1 ZINC000994250136 696642173 /nfs/dbraw/zinc/64/21/73/696642173.db2.gz IKRQGDJFSDWDSW-WBVHZDCISA-N 2 0 335.492 1.620 20 0 EDADRP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940007995 700109480 /nfs/dbraw/zinc/10/94/80/700109480.db2.gz CVNDMYQVBLSBFW-CYBMUJFWSA-N 2 0 337.493 1.411 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000940008733 700110729 /nfs/dbraw/zinc/11/07/29/700110729.db2.gz ZPYWSDSERNWRKA-OAHLLOKOSA-N 2 0 334.464 1.802 20 0 EDADRP CCN1CCO[C@H](C(=O)NC2C[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001031417846 697068183 /nfs/dbraw/zinc/06/81/83/697068183.db2.gz DCQQQLUAPBYKSK-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000918122915 697133986 /nfs/dbraw/zinc/13/39/86/697133986.db2.gz VWUQNRXKJVZYDE-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP Cc1cc(C)cc(OCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001031577797 697274161 /nfs/dbraw/zinc/27/41/61/697274161.db2.gz PVPQVNLWUQQBJP-LJQANCHMSA-N 2 0 345.487 1.824 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919634488 697307869 /nfs/dbraw/zinc/30/78/69/697307869.db2.gz JLGXMYKDGMPHLJ-PQUAAJSLSA-N 2 0 338.496 1.413 20 0 EDADRP CCc1nocc1CN1CC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668509 697460945 /nfs/dbraw/zinc/46/09/45/697460945.db2.gz HYVLMYXKRYNSNE-RDJZCZTQSA-N 2 0 346.475 1.659 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001031729429 698053279 /nfs/dbraw/zinc/05/32/79/698053279.db2.gz NDNAQLXWGFNTKA-AEFFLSMTSA-N 2 0 337.508 1.439 20 0 EDADRP O=C(NCC1C[NH+](CC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031730056 698064930 /nfs/dbraw/zinc/06/49/30/698064930.db2.gz CKTOPPYOMJZGEO-GOSISDBHSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730133 698065705 /nfs/dbraw/zinc/06/57/05/698065705.db2.gz FIPIDXVMKRITHJ-GOSISDBHSA-N 2 0 345.491 1.338 20 0 EDADRP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)cc1 ZINC001031771686 699093107 /nfs/dbraw/zinc/09/31/07/699093107.db2.gz GIIZGVBJNGEYPB-IBGZPJMESA-N 2 0 345.487 1.906 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1 ZINC000939054710 699115299 /nfs/dbraw/zinc/11/52/99/699115299.db2.gz NSSXJESABBFOBM-CRAIPNDOSA-N 2 0 330.476 1.668 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939063877 699131130 /nfs/dbraw/zinc/13/11/30/699131130.db2.gz NQEXMYNIMGGLAX-CRAIPNDOSA-N 2 0 347.507 1.742 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC001031776667 699168919 /nfs/dbraw/zinc/16/89/19/699168919.db2.gz LPARRBJFGOHUPY-KRWDZBQOSA-N 2 0 333.480 1.032 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941553589 701578663 /nfs/dbraw/zinc/57/86/63/701578663.db2.gz PCODBMJKKMBKIZ-GOSISDBHSA-N 2 0 338.540 1.447 20 0 EDADRP C[C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939213875 699363664 /nfs/dbraw/zinc/36/36/64/699363664.db2.gz GPWKHKWJOWDXGI-UGSOOPFHSA-N 2 0 340.427 1.619 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nccn1C ZINC000939257368 699434792 /nfs/dbraw/zinc/43/47/92/699434792.db2.gz LYWRPKIZMPUWLR-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)on1 ZINC000939258589 699436026 /nfs/dbraw/zinc/43/60/26/699436026.db2.gz RQBVWAWSJXVIAV-DYVFJYSZSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939259422 699437272 /nfs/dbraw/zinc/43/72/72/699437272.db2.gz UOVQKXDROLYYHS-MAUKXSAKSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939394368 699544382 /nfs/dbraw/zinc/54/43/82/699544382.db2.gz BMYMTTNQCUKQEB-FUHWJXTLSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939394367 699544512 /nfs/dbraw/zinc/54/45/12/699544512.db2.gz BMYMTTNQCUKQEB-AEFFLSMTSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164916 701604633 /nfs/dbraw/zinc/60/46/33/701604633.db2.gz CCHLXKFJHLCQCH-CVEARBPZSA-N 2 0 346.475 1.762 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165000 701604875 /nfs/dbraw/zinc/60/48/75/701604875.db2.gz CMNQNBHOLAQMEC-GJZGRUSLSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939549752 699682393 /nfs/dbraw/zinc/68/23/93/699682393.db2.gz CJQAFSMJVZXNMK-XJKSGUPXSA-N 2 0 342.447 1.131 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCc1cccs1 ZINC000939550132 699698815 /nfs/dbraw/zinc/69/88/15/699698815.db2.gz GKXAGUARNRCKEM-ZBFHGGJFSA-N 2 0 333.501 1.823 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939550663 699699912 /nfs/dbraw/zinc/69/99/12/699699912.db2.gz NTCANBDFLVMLFP-GXTWGEPZSA-N 2 0 327.419 1.564 20 0 EDADRP CCc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165451 701611197 /nfs/dbraw/zinc/61/11/97/701611197.db2.gz DZGIRVMAMIDPEE-HOCLYGCPSA-N 2 0 346.475 1.707 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC000941665566 701619504 /nfs/dbraw/zinc/61/95/04/701619504.db2.gz JVMJRTOADSBHCA-MRXNPFEDSA-N 2 0 336.524 1.203 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940142312 700270656 /nfs/dbraw/zinc/27/06/56/700270656.db2.gz OOGLKOHYWCFBEV-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940178871 700312868 /nfs/dbraw/zinc/31/28/68/700312868.db2.gz ODYKRKHMHFRGJF-QGZVFWFLSA-N 2 0 347.507 1.858 20 0 EDADRP Cn1ncc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000940247558 700412285 /nfs/dbraw/zinc/41/22/85/700412285.db2.gz IUEYJUNNKPIOEX-UHFFFAOYSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC000940307661 700489504 /nfs/dbraw/zinc/48/95/04/700489504.db2.gz WJFBBGVASFULRD-JKSUJKDBSA-N 2 0 325.497 1.580 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328020 700505822 /nfs/dbraw/zinc/50/58/22/700505822.db2.gz CNSPKUZDPHGUEN-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000940328411 700507067 /nfs/dbraw/zinc/50/70/67/700507067.db2.gz JELPGDMTJVIYKH-CQSZACIVSA-N 2 0 349.479 1.445 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nc1 ZINC000940329257 700508364 /nfs/dbraw/zinc/50/83/64/700508364.db2.gz STWYFPIDXXRVLC-HNNXBMFYSA-N 2 0 345.491 1.598 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000940472681 700658161 /nfs/dbraw/zinc/65/81/61/700658161.db2.gz PQJIBJGEQWUBNI-HNNXBMFYSA-N 2 0 348.495 1.458 20 0 EDADRP CCc1noc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457441 700660894 /nfs/dbraw/zinc/66/08/94/700660894.db2.gz FZPCTDCHBDMJDN-ZDUSSCGKSA-N 2 0 335.452 1.054 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC000995168908 701667442 /nfs/dbraw/zinc/66/74/42/701667442.db2.gz PUHZVYBOQUFTFP-JKSUJKDBSA-N 2 0 345.491 1.199 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940620740 700781978 /nfs/dbraw/zinc/78/19/78/700781978.db2.gz JOLMTRRWTKONIP-HOTGVXAUSA-N 2 0 333.480 1.231 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000995100968 700890541 /nfs/dbraw/zinc/89/05/41/700890541.db2.gz DUBOHDSZMXNJKQ-JKSUJKDBSA-N 2 0 347.507 1.527 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940843204 700939452 /nfs/dbraw/zinc/93/94/52/700939452.db2.gz ZEVVHTNAPHFKND-DLBZAZTESA-N 2 0 347.507 1.584 20 0 EDADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900004 700975250 /nfs/dbraw/zinc/97/52/50/700975250.db2.gz APTHLKFONFRZKW-ASPXRTSYSA-N 2 0 349.519 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031916623 701007433 /nfs/dbraw/zinc/00/74/33/701007433.db2.gz CLCQNKRQHOJXQK-FUHWJXTLSA-N 2 0 337.508 1.583 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941078291 701139954 /nfs/dbraw/zinc/13/99/54/701139954.db2.gz CPQRTDZPCBDGSK-MRXNPFEDSA-N 2 0 325.497 1.317 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163986 701228967 /nfs/dbraw/zinc/22/89/67/701228967.db2.gz RDSIPVCTRAZWQA-GDBMZVCRSA-N 2 0 334.464 1.733 20 0 EDADRP CC1(C)C[N@H+](Cc2cncs2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167123 701378125 /nfs/dbraw/zinc/37/81/25/701378125.db2.gz RPLVRRRAJLQCCG-OAHLLOKOSA-N 2 0 348.516 1.956 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217273 701403318 /nfs/dbraw/zinc/40/33/18/701403318.db2.gz LNVBQYZSIOMSBW-PBHICJAKSA-N 2 0 348.491 1.905 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000941238243 701428682 /nfs/dbraw/zinc/42/86/82/701428682.db2.gz VXIDRWSMXXQXIU-QGZVFWFLSA-N 2 0 333.476 1.571 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995136464 701444561 /nfs/dbraw/zinc/44/45/61/701444561.db2.gz VPQPIMJCBAXERR-HUUCEWRRSA-N 2 0 335.452 1.176 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408629 701521138 /nfs/dbraw/zinc/52/11/38/701521138.db2.gz NQZJDUBNFUWMKC-IAGOWNOFSA-N 2 0 334.508 1.098 20 0 EDADRP Cc1ncoc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518580 706604793 /nfs/dbraw/zinc/60/47/93/706604793.db2.gz XZYODOJLSYNCIV-BBWFWOEESA-N 2 0 346.475 1.748 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccc3c(c2)COC3)C1)C12CC[NH+](CC1)C2 ZINC001032129955 701831088 /nfs/dbraw/zinc/83/10/88/701831088.db2.gz BRLIUAQNAZRTOM-UHFFFAOYSA-N 2 0 341.455 1.361 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032131657 701855575 /nfs/dbraw/zinc/85/55/75/701855575.db2.gz QKSAOLLUVTXQPN-UHFFFAOYSA-N 2 0 343.471 1.647 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802759 702047276 /nfs/dbraw/zinc/04/72/76/702047276.db2.gz OHLFZUIPBFHTPA-IAGOWNOFSA-N 2 0 347.507 1.620 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823357 702093176 /nfs/dbraw/zinc/09/31/76/702093176.db2.gz FWHQMPFMAGCJAP-RBSFLKMASA-N 2 0 331.464 1.143 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)c1 ZINC001032207219 702116628 /nfs/dbraw/zinc/11/66/28/702116628.db2.gz HVQJAGRIBGYCMA-LJQANCHMSA-N 2 0 345.487 1.979 20 0 EDADRP Cc1cc(F)ccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031980476 702132292 /nfs/dbraw/zinc/13/22/92/702132292.db2.gz SNOMEGOCFZMMQM-RDTXWAMCSA-N 2 0 333.451 1.880 20 0 EDADRP CC(C)C[NH2+][C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1(C)C ZINC000995817269 702132533 /nfs/dbraw/zinc/13/25/33/702132533.db2.gz YVMQIZNKYLMGBB-INIZCTEOSA-N 2 0 335.496 1.541 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895610 702199130 /nfs/dbraw/zinc/19/91/30/702199130.db2.gz LWSLJDUIULBUSL-DLBZAZTESA-N 2 0 345.491 1.452 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1)C1CCC1 ZINC000995920117 702240783 /nfs/dbraw/zinc/24/07/83/702240783.db2.gz SLSPUEQSOPWYLY-OAHLLOKOSA-N 2 0 331.464 1.288 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1C ZINC001032186942 702288903 /nfs/dbraw/zinc/28/89/03/702288903.db2.gz ZPHHQRGWPYGIPX-QGZVFWFLSA-N 2 0 331.460 1.503 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996302596 702694848 /nfs/dbraw/zinc/69/48/48/702694848.db2.gz XPABTAHEDALOID-WBVHZDCISA-N 2 0 347.507 1.274 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311179 702700343 /nfs/dbraw/zinc/70/03/43/702700343.db2.gz QHSYZGPVSPOIGL-CVEARBPZSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000996313550 702701893 /nfs/dbraw/zinc/70/18/93/702701893.db2.gz DVKGALYZFZDRMH-HOTGVXAUSA-N 2 0 335.496 1.129 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCC2)cn1 ZINC001032675791 706694870 /nfs/dbraw/zinc/69/48/70/706694870.db2.gz OOYLCBYTNVCKNI-IRXDYDNUSA-N 2 0 331.464 1.144 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996475535 702807529 /nfs/dbraw/zinc/80/75/29/702807529.db2.gz CBYWEQOHFXKUQZ-RHSMWYFYSA-N 2 0 332.448 1.630 20 0 EDADRP CCc1noc(CN[C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996512090 702831327 /nfs/dbraw/zinc/83/13/27/702831327.db2.gz AOGYAUPFPMTFTR-KGLIPLIRSA-N 2 0 349.479 1.300 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]CCn2cccn2)CC1)[NH+]1CCCCC1 ZINC000996533730 702848072 /nfs/dbraw/zinc/84/80/72/702848072.db2.gz KSQKUPIZORPJAE-UHFFFAOYSA-N 2 0 347.507 1.728 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996518560 702854123 /nfs/dbraw/zinc/85/41/23/702854123.db2.gz KWEYAKHSJWVSJW-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996522011 702857534 /nfs/dbraw/zinc/85/75/34/702857534.db2.gz XLJDTTQYEVXIQN-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996608423 702911338 /nfs/dbraw/zinc/91/13/38/702911338.db2.gz SHXMDJLTNRLSGI-GZBFAFLISA-N 2 0 349.479 1.614 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996608757 702912135 /nfs/dbraw/zinc/91/21/35/702912135.db2.gz HMMHLHOVZZRRMZ-GDBMZVCRSA-N 2 0 334.464 1.570 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996617705 702924580 /nfs/dbraw/zinc/92/45/80/702924580.db2.gz VTBFNVGVEKJEPO-CZUORRHYSA-N 2 0 334.439 1.499 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996625216 702928824 /nfs/dbraw/zinc/92/88/24/702928824.db2.gz ZSVQHKOVGAFWMV-OALUTQOASA-N 2 0 343.471 1.630 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000996625222 702928900 /nfs/dbraw/zinc/92/89/00/702928900.db2.gz ZSVQHKOVGAFWMV-RTBURBONSA-N 2 0 343.471 1.630 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000996647095 702948947 /nfs/dbraw/zinc/94/89/47/702948947.db2.gz XDGNERBPIJUAMS-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP COc1cncc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996667750 702965001 /nfs/dbraw/zinc/96/50/01/702965001.db2.gz XYIWMOMQOIWXRC-UHFFFAOYSA-N 2 0 347.463 1.050 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]CCc3ccns3)CC2)CCC1 ZINC000996666175 702968509 /nfs/dbraw/zinc/96/85/09/702968509.db2.gz PCHYQWBAZHMNOW-UHFFFAOYSA-N 2 0 336.505 1.751 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996689273 702986750 /nfs/dbraw/zinc/98/67/50/702986750.db2.gz LAXKYQZCAQBSRX-KRWDZBQOSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1csnn1 ZINC000996720697 703014448 /nfs/dbraw/zinc/01/44/48/703014448.db2.gz DXSMYMDTQQJFQD-WFASDCNBSA-N 2 0 337.493 1.664 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996716355 703014795 /nfs/dbraw/zinc/01/47/95/703014795.db2.gz JMEFTTOFSZUZTA-GJZGRUSLSA-N 2 0 349.504 1.636 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccnn2C)C1 ZINC001032026263 703052292 /nfs/dbraw/zinc/05/22/92/703052292.db2.gz BLPSCLWLXMHSJU-GOSISDBHSA-N 2 0 347.507 1.274 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594552 703107055 /nfs/dbraw/zinc/10/70/55/703107055.db2.gz KNPVZWQIUQHZSR-RDJZCZTQSA-N 2 0 333.480 1.052 20 0 EDADRP C[C@H]1C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597136 703112081 /nfs/dbraw/zinc/11/20/81/703112081.db2.gz JBMPFYGWAUPPPI-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC000996845125 703121772 /nfs/dbraw/zinc/12/17/72/703121772.db2.gz HNRUUDKQGKHCQR-KBPBESRZSA-N 2 0 335.414 1.963 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996857232 703132950 /nfs/dbraw/zinc/13/29/50/703132950.db2.gz MFMHLXHDMLKRHT-KRWDZBQOSA-N 2 0 347.463 1.333 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)co1 ZINC000996856871 703134740 /nfs/dbraw/zinc/13/47/40/703134740.db2.gz KKUCLEXGWFLNCW-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)on1 ZINC000996859439 703143464 /nfs/dbraw/zinc/14/34/64/703143464.db2.gz SICVPEMHLPJNNG-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000996957055 703220458 /nfs/dbraw/zinc/22/04/58/703220458.db2.gz WOHRQUQWTWZMJY-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000996951571 703222180 /nfs/dbraw/zinc/22/21/80/703222180.db2.gz GZPDRDMFXGPMFD-OAHLLOKOSA-N 2 0 345.491 1.768 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000996981826 703236546 /nfs/dbraw/zinc/23/65/46/703236546.db2.gz YBGZKKGZPHWKSV-CRAIPNDOSA-N 2 0 347.507 1.274 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)c1ncccn1 ZINC000996999010 703256028 /nfs/dbraw/zinc/25/60/28/703256028.db2.gz LLGVOIQAIHRVPB-OAHLLOKOSA-N 2 0 345.491 1.850 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996996684 703259946 /nfs/dbraw/zinc/25/99/46/703259946.db2.gz YCWIEGGHMYANLM-HNNXBMFYSA-N 2 0 348.495 1.424 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000997004561 703261626 /nfs/dbraw/zinc/26/16/26/703261626.db2.gz FBJITAPHYWQQMF-UHFFFAOYSA-N 2 0 331.464 1.289 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997004742 703261976 /nfs/dbraw/zinc/26/19/76/703261976.db2.gz GMSREDTXRZHRTG-AWEZNQCLSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000997005355 703262335 /nfs/dbraw/zinc/26/23/35/703262335.db2.gz DJAVKWROWFSQMV-BLLLJJGKSA-N 2 0 334.464 1.570 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997005433 703262692 /nfs/dbraw/zinc/26/26/92/703262692.db2.gz IJNLCPQMFNPBBJ-CQSZACIVSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997008364 703266045 /nfs/dbraw/zinc/26/60/45/703266045.db2.gz LSDWKWMPJWJYJE-CRAIPNDOSA-N 2 0 330.476 1.668 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997003563 703267648 /nfs/dbraw/zinc/26/76/48/703267648.db2.gz BXLLFDWUQZISTH-HNNXBMFYSA-N 2 0 348.495 1.281 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997009887 703270738 /nfs/dbraw/zinc/27/07/38/703270738.db2.gz QWQRKIPHXVYVEH-GUYCJALGSA-N 2 0 348.491 1.824 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)CC1 ZINC000997058428 703303734 /nfs/dbraw/zinc/30/37/34/703303734.db2.gz QLWBFTRLYRGFOR-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997084196 703322369 /nfs/dbraw/zinc/32/23/69/703322369.db2.gz KWQBKPZVIRTEHU-KBPBESRZSA-N 2 0 342.447 1.720 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000997115694 703369819 /nfs/dbraw/zinc/36/98/19/703369819.db2.gz PXKXTSWCNFXTJP-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997189473 703471778 /nfs/dbraw/zinc/47/17/78/703471778.db2.gz YPKWRVWPFLNVAR-HNNXBMFYSA-N 2 0 346.475 1.768 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997188214 703477968 /nfs/dbraw/zinc/47/79/68/703477968.db2.gz YXSZXCXXSZIRIN-WBVHZDCISA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000997261870 703540574 /nfs/dbraw/zinc/54/05/74/703540574.db2.gz UQTHKDKBCDPERE-JFIYKMOQSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nc4c(o3)CCCC4)CC2)C1 ZINC000997297196 703555722 /nfs/dbraw/zinc/55/57/22/703555722.db2.gz CNBOBLIXBOUJJL-AWEZNQCLSA-N 2 0 346.475 1.586 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ccncc2Cl)CC1 ZINC000997306633 703565279 /nfs/dbraw/zinc/56/52/79/703565279.db2.gz HDAGRMXIHFAWFF-UHFFFAOYSA-N 2 0 336.867 1.911 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997366948 703601131 /nfs/dbraw/zinc/60/11/31/703601131.db2.gz QVYZBJWEADBURI-MAUKXSAKSA-N 2 0 345.491 1.993 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC000997367655 703602207 /nfs/dbraw/zinc/60/22/07/703602207.db2.gz LJSPZZVBPQNKOV-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997368707 703608069 /nfs/dbraw/zinc/60/80/69/703608069.db2.gz TUVKSAHORNVEGJ-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@H]2CCOC2)CCC1 ZINC001032444456 703621685 /nfs/dbraw/zinc/62/16/85/703621685.db2.gz ZLDRTPIVWTWUQG-ULQDDVLXSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000997389732 703657617 /nfs/dbraw/zinc/65/76/17/703657617.db2.gz HEGVWGVTTZNMIF-OAHLLOKOSA-N 2 0 346.475 1.796 20 0 EDADRP CCn1nnc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997608620 703907531 /nfs/dbraw/zinc/90/75/31/703907531.db2.gz VGQOBBYSNVNWJS-MRXNPFEDSA-N 2 0 348.495 1.029 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)c1csnn1 ZINC000997615927 703915281 /nfs/dbraw/zinc/91/52/81/703915281.db2.gz XMHQIUKNVDXWLV-IUODEOHRSA-N 2 0 337.493 1.522 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)sn1 ZINC000995551007 703955630 /nfs/dbraw/zinc/95/56/30/703955630.db2.gz LMKSUOFZQDGOFI-HUUCEWRRSA-N 2 0 336.505 1.872 20 0 EDADRP CC1([NH+]2CCC2)CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000922608433 704128118 /nfs/dbraw/zinc/12/81/18/704128118.db2.gz UXFOWTZAVRRJTH-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033096958 704186241 /nfs/dbraw/zinc/18/62/41/704186241.db2.gz RQGSUQNHPSQTGO-FGTMMUONSA-N 2 0 348.466 1.984 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2cnon2)CC1 ZINC001004367585 704334985 /nfs/dbraw/zinc/33/49/85/704334985.db2.gz DXXFASOXBNTZRY-IAGOWNOFSA-N 2 0 347.463 1.367 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000997707674 704598509 /nfs/dbraw/zinc/59/85/09/704598509.db2.gz GKOBCGATJUVDBO-CGTJXYLNSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997771472 704673100 /nfs/dbraw/zinc/67/31/00/704673100.db2.gz HTTIHFDTNROPGL-QZTJIDSGSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997774182 704679055 /nfs/dbraw/zinc/67/90/55/704679055.db2.gz CXRUTALPVPKMFU-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997784449 704688350 /nfs/dbraw/zinc/68/83/50/704688350.db2.gz PGYLYBOSGMEKBN-QGZVFWFLSA-N 2 0 348.516 1.813 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997783989 704694490 /nfs/dbraw/zinc/69/44/90/704694490.db2.gz NHVJEHWXSIUWMT-OALUTQOASA-N 2 0 349.519 1.726 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803897 704715751 /nfs/dbraw/zinc/71/57/51/704715751.db2.gz NZILDFQYQLEQMQ-ROUUACIJSA-N 2 0 335.492 1.478 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803898 704715756 /nfs/dbraw/zinc/71/57/56/704715756.db2.gz NZILDFQYQLEQMQ-ZWKOTPCHSA-N 2 0 335.492 1.478 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830646 704747804 /nfs/dbraw/zinc/74/78/04/704747804.db2.gz KZXFJXYKFNAHAQ-KRWDZBQOSA-N 2 0 333.480 1.089 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)C1CC1 ZINC000997829766 704748272 /nfs/dbraw/zinc/74/82/72/704748272.db2.gz BZNUESDCDVRVLN-GOSISDBHSA-N 2 0 348.466 1.889 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831559 704749717 /nfs/dbraw/zinc/74/97/17/704749717.db2.gz VJFZZJAMPWJKCB-KRWDZBQOSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997837462 704755335 /nfs/dbraw/zinc/75/53/35/704755335.db2.gz TWOXHSIEFKENBM-JKSUJKDBSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997864573 704771489 /nfs/dbraw/zinc/77/14/89/704771489.db2.gz KNZHHPINKAXHLJ-QGZVFWFLSA-N 2 0 345.491 1.598 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092155 705061791 /nfs/dbraw/zinc/06/17/91/705061791.db2.gz PPZGVUVEDXMIPF-QAPCUYQASA-N 2 0 333.476 1.835 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000998032377 705218185 /nfs/dbraw/zinc/21/81/85/705218185.db2.gz SYGOLWMGFJCFDH-ZDUSSCGKSA-N 2 0 349.479 1.609 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)ncn1 ZINC000998045949 705241786 /nfs/dbraw/zinc/24/17/86/705241786.db2.gz HILMTYDGDARHFF-GOSISDBHSA-N 2 0 347.507 1.699 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998076707 705297200 /nfs/dbraw/zinc/29/72/00/705297200.db2.gz CPNPJEILVNLDHS-FZKQIMNGSA-N 2 0 348.491 1.817 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC000998082165 705308395 /nfs/dbraw/zinc/30/83/95/705308395.db2.gz NZCUQMHETNYCPS-HOTGVXAUSA-N 2 0 345.491 1.708 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000998082502 705309840 /nfs/dbraw/zinc/30/98/40/705309840.db2.gz PZZLIQYQGURSJV-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998082637 705310218 /nfs/dbraw/zinc/31/02/18/705310218.db2.gz RUWDLZOSZYDZSY-KGLIPLIRSA-N 2 0 349.479 1.609 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nc(C)no2)CC1)[NH+](C)C ZINC000998086182 705318286 /nfs/dbraw/zinc/31/82/86/705318286.db2.gz NKDMKCRDOPUFJA-WFASDCNBSA-N 2 0 337.468 1.607 20 0 EDADRP C[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1)[NH+]1CCCCCC1 ZINC000998133565 705398068 /nfs/dbraw/zinc/39/80/68/705398068.db2.gz AUJZTXHWOXKIBB-HNNXBMFYSA-N 2 0 349.479 1.662 20 0 EDADRP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)C1 ZINC001032603287 705427733 /nfs/dbraw/zinc/42/77/33/705427733.db2.gz VSCGOIYVSFUVKG-YCHGYYGWSA-N 2 0 335.492 1.428 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000998216652 705539003 /nfs/dbraw/zinc/53/90/03/705539003.db2.gz JNGADWCPFXKEGD-KRWDZBQOSA-N 2 0 347.507 1.399 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000998284530 705679358 /nfs/dbraw/zinc/67/93/58/705679358.db2.gz DOUBCMMZLSYDAL-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998289439 705686481 /nfs/dbraw/zinc/68/64/81/705686481.db2.gz LZSIPJPGPDPSPO-INIZCTEOSA-N 2 0 335.452 1.272 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2CC)C1 ZINC000998865052 706294748 /nfs/dbraw/zinc/29/47/48/706294748.db2.gz DWIREPWSXTUWPE-UYSNPLJNSA-N 2 0 348.495 1.251 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000998866631 706296483 /nfs/dbraw/zinc/29/64/83/706296483.db2.gz MSCWXLPPGGVGEF-JCYILVPMSA-N 2 0 334.464 1.936 20 0 EDADRP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC000999834771 707468189 /nfs/dbraw/zinc/46/81/89/707468189.db2.gz VXCYHDUJFXMUKW-UHFFFAOYSA-N 2 0 344.503 1.927 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999049311 706469693 /nfs/dbraw/zinc/46/96/93/706469693.db2.gz DIOGAJZBOAWLHK-UHFFFAOYSA-N 2 0 331.464 1.128 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999050921 706471900 /nfs/dbraw/zinc/47/19/00/706471900.db2.gz OUQSHOSHLDPBMK-UHFFFAOYSA-N 2 0 349.504 1.554 20 0 EDADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1cnccn1 ZINC000999052621 706473542 /nfs/dbraw/zinc/47/35/42/706473542.db2.gz ZNEUCTRAANEPKA-FHERZECASA-N 2 0 343.475 1.745 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999058611 706480432 /nfs/dbraw/zinc/48/04/32/706480432.db2.gz QQDKGQWPSPQSFR-UHFFFAOYSA-N 2 0 338.415 1.461 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC000999145972 706559822 /nfs/dbraw/zinc/55/98/22/706559822.db2.gz TZOINRJFVXTOQL-WMZOPIPTSA-N 2 0 347.507 1.682 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999146988 706560593 /nfs/dbraw/zinc/56/05/93/706560593.db2.gz ZIWCZPHEIGVOPY-DLBZAZTESA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000999154362 706584407 /nfs/dbraw/zinc/58/44/07/706584407.db2.gz UQCYDRLUESBDJJ-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999376390 706870769 /nfs/dbraw/zinc/87/07/69/706870769.db2.gz WBEBXYROGXAZIP-SJORKVTESA-N 2 0 331.464 1.206 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999402622 706911080 /nfs/dbraw/zinc/91/10/80/706911080.db2.gz HOXWATPRSWEUMP-ODIFPOPNSA-N 2 0 346.475 1.511 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999403987 706912755 /nfs/dbraw/zinc/91/27/55/706912755.db2.gz YLFHMYIKFKVMIE-UONOGXRCSA-N 2 0 337.493 1.493 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999409764 706919907 /nfs/dbraw/zinc/91/99/07/706919907.db2.gz SMJBJMJOHHVXNG-XGNXJENSSA-N 2 0 337.493 1.267 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC000999437616 706944723 /nfs/dbraw/zinc/94/47/23/706944723.db2.gz XQWVBSAHDVVUDI-YJBOKZPZSA-N 2 0 348.491 1.757 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2cscn2)C1 ZINC000999508255 707005683 /nfs/dbraw/zinc/00/56/83/707005683.db2.gz ICIIBYBDKJWNLZ-UHFFFAOYSA-N 2 0 336.505 1.954 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999509207 707006842 /nfs/dbraw/zinc/00/68/42/707006842.db2.gz OYTLYYRAUJOFTD-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999510746 707009184 /nfs/dbraw/zinc/00/91/84/707009184.db2.gz LXUIYRMMDAAXRU-OALUTQOASA-N 2 0 345.487 1.744 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2c(C)nnn2CC)C1)[NH+](C)C ZINC000999490896 707027369 /nfs/dbraw/zinc/02/73/69/707027369.db2.gz UBFIXMYQJMGPJG-HUUCEWRRSA-N 2 0 336.484 1.027 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999600763 707103073 /nfs/dbraw/zinc/10/30/73/707103073.db2.gz FICYZTISVAAXNT-INIZCTEOSA-N 2 0 331.464 1.129 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999608571 707122269 /nfs/dbraw/zinc/12/22/69/707122269.db2.gz ILLXKFVERMKSIG-MRXNPFEDSA-N 2 0 338.415 1.425 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276716 707341269 /nfs/dbraw/zinc/34/12/69/707341269.db2.gz FPYVLMRSLHRLIN-VZDIDWBNSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@H](C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)CN1CC[NH+](C)CC1 ZINC000921686761 707360233 /nfs/dbraw/zinc/36/02/33/707360233.db2.gz XNNBWRSHMMQEQV-GFCCVEGCSA-N 2 0 325.888 1.914 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC000999794264 707365589 /nfs/dbraw/zinc/36/55/89/707365589.db2.gz UCSKWPZOQGLOOV-WMZOPIPTSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nccn2C(F)F)C1 ZINC000999834686 707467574 /nfs/dbraw/zinc/46/75/74/707467574.db2.gz UZWRRYADECQLRJ-UHFFFAOYSA-N 2 0 341.406 1.453 20 0 EDADRP COCc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000999837151 707473704 /nfs/dbraw/zinc/47/37/04/707473704.db2.gz OEOLTRRPXNNHPZ-VIQWUECVSA-N 2 0 345.487 1.864 20 0 EDADRP CC[C@H]([NH2+]C1CC(N(C)C(=O)c2ccccc2C[NH+](C)C)C1)C(N)=O ZINC000999871691 707515041 /nfs/dbraw/zinc/51/50/41/707515041.db2.gz YRCYAFTXZNPAFD-DQPZFDDXSA-N 2 0 346.475 1.205 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ocnc2C)C1 ZINC000999876510 707523865 /nfs/dbraw/zinc/52/38/65/707523865.db2.gz MTKDWFXJFZPVEH-GPANFISMSA-N 2 0 334.464 1.936 20 0 EDADRP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004929503 707676694 /nfs/dbraw/zinc/67/66/94/707676694.db2.gz RUNRJJKOJMHNHX-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999998420 707680863 /nfs/dbraw/zinc/68/08/63/707680863.db2.gz RRKFLPHLHHGCCV-HOTGVXAUSA-N 2 0 334.468 1.035 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)nn1 ZINC001000191032 707831491 /nfs/dbraw/zinc/83/14/91/707831491.db2.gz HPVNPDSCMBNOGK-HOCLYGCPSA-N 2 0 347.463 1.050 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423922 707840549 /nfs/dbraw/zinc/84/05/49/707840549.db2.gz VRWADPLNFVABKI-APWZRJJASA-N 2 0 347.503 1.972 20 0 EDADRP Cc1nocc1CN1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225752 707862681 /nfs/dbraw/zinc/86/26/81/707862681.db2.gz KMGVNTOTATVWFK-INIZCTEOSA-N 2 0 332.448 1.644 20 0 EDADRP CCc1[nH]nc(Cl)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000921733382 707921173 /nfs/dbraw/zinc/92/11/73/707921173.db2.gz NZPGQBCCPJDREU-GFCCVEGCSA-N 2 0 325.888 1.884 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033474618 707964103 /nfs/dbraw/zinc/96/41/03/707964103.db2.gz ITPCROWPRYGKHT-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCc2cnon2)C1 ZINC001000377924 708003439 /nfs/dbraw/zinc/00/34/39/708003439.db2.gz LOGMWKPRZXWOIB-GDBMZVCRSA-N 2 0 335.452 1.413 20 0 EDADRP CO[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCC1 ZINC001005184567 708111238 /nfs/dbraw/zinc/11/12/38/708111238.db2.gz ODHMVITXZZRLDK-QZTJIDSGSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c(F)c1 ZINC001001525460 708161162 /nfs/dbraw/zinc/16/11/62/708161162.db2.gz XPDYIYYKEYVDCD-WBVHZDCISA-N 2 0 335.423 1.415 20 0 EDADRP COCC[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001679555 708198057 /nfs/dbraw/zinc/19/80/57/708198057.db2.gz FUUCUUYSIAKAEB-UHFFFAOYSA-N 2 0 347.503 1.879 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033582393 708265835 /nfs/dbraw/zinc/26/58/35/708265835.db2.gz OQKQVHASJXUVPY-JKSUJKDBSA-N 2 0 349.479 1.185 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001001835723 708340129 /nfs/dbraw/zinc/34/01/29/708340129.db2.gz ZJOQBSJHXARXFH-RDTXWAMCSA-N 2 0 345.491 1.311 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033658701 708469359 /nfs/dbraw/zinc/46/93/59/708469359.db2.gz BIQSGQWPDIRTSC-DLBZAZTESA-N 2 0 331.460 1.680 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033687172 708502115 /nfs/dbraw/zinc/50/21/15/708502115.db2.gz ZIMHWCCDOQFVHP-DLBZAZTESA-N 2 0 333.480 1.290 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nccc(C)n2)C1 ZINC001033833354 708858753 /nfs/dbraw/zinc/85/87/53/708858753.db2.gz GAUCBBYRTNNUPM-BRWVUGGUSA-N 2 0 345.491 1.548 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033837015 708864755 /nfs/dbraw/zinc/86/47/55/708864755.db2.gz QFLSJHFELHGOQA-MOPGFXCFSA-N 2 0 349.519 1.678 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cncn2)CC1 ZINC001005474386 709110496 /nfs/dbraw/zinc/11/04/96/709110496.db2.gz DCVKMNZBIFUPCK-QGZVFWFLSA-N 2 0 348.495 1.075 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001034013719 709227720 /nfs/dbraw/zinc/22/77/20/709227720.db2.gz RCNKJHCAGXWTKF-MRXNPFEDSA-N 2 0 346.475 1.810 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001034037671 709269882 /nfs/dbraw/zinc/26/98/82/709269882.db2.gz DHIBVVWMKGHBMB-LSDHHAIUSA-N 2 0 336.505 1.560 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001034044048 709295940 /nfs/dbraw/zinc/29/59/40/709295940.db2.gz ZPCLOVGODFFMRK-ROUUACIJSA-N 2 0 330.476 1.765 20 0 EDADRP C[C@@]12CN(C(=O)C3CC[NH2+]CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702076817 709312237 /nfs/dbraw/zinc/31/22/37/709312237.db2.gz OIEHXKLQNOHIHS-AZUAARDMSA-N 2 0 327.472 1.967 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001034129518 709398879 /nfs/dbraw/zinc/39/88/79/709398879.db2.gz CJSDSMLBLCONBG-NVXWUHKLSA-N 2 0 333.480 1.028 20 0 EDADRP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034135850 709406648 /nfs/dbraw/zinc/40/66/48/709406648.db2.gz FRRKACPIWDWTFJ-ROUUACIJSA-N 2 0 330.476 1.955 20 0 EDADRP Cn1nccc1CN1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002802330 709417000 /nfs/dbraw/zinc/41/70/00/709417000.db2.gz OMNJESXDKIYBFT-RDJZCZTQSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002812849 709420654 /nfs/dbraw/zinc/42/06/54/709420654.db2.gz UUFKLAZZIGDYJT-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002822977 709432741 /nfs/dbraw/zinc/43/27/41/709432741.db2.gz JOCRFCFUFUBZQV-HOTGVXAUSA-N 2 0 337.508 1.602 20 0 EDADRP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC001002851919 709461869 /nfs/dbraw/zinc/46/18/69/709461869.db2.gz LVOFVAADQWTBBX-MLGOLLRUSA-N 2 0 336.505 1.872 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](Cc2ccccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034207868 709555634 /nfs/dbraw/zinc/55/56/34/709555634.db2.gz PJZZEHXBECNKLQ-OALUTQOASA-N 2 0 342.487 1.894 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290793 709716124 /nfs/dbraw/zinc/71/61/24/709716124.db2.gz IYGYDBVVQAKNQY-HOCLYGCPSA-N 2 0 330.432 1.954 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)c1ccc2c[nH+]cn2c1 ZINC001034310019 709753134 /nfs/dbraw/zinc/75/31/34/709753134.db2.gz RWSJKDCJKPVZHC-DOTOQJQBSA-N 2 0 342.443 1.955 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034398159 709939587 /nfs/dbraw/zinc/93/95/87/709939587.db2.gz MXZRLISTEHZJHV-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001034439654 710016045 /nfs/dbraw/zinc/01/60/45/710016045.db2.gz WNMREMJTEGCQQR-IRXDYDNUSA-N 2 0 325.497 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003157661 710060601 /nfs/dbraw/zinc/06/06/01/710060601.db2.gz DTWBLACNYCGLHV-MRXNPFEDSA-N 2 0 336.505 1.751 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1)C1CCC1 ZINC001003161129 710070299 /nfs/dbraw/zinc/07/02/99/710070299.db2.gz UZGYLBWWQLXXCO-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490740 710109940 /nfs/dbraw/zinc/10/99/40/710109940.db2.gz LZJMMQUWKICUGW-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2CCc3cncn3C2)CC1 ZINC001003195501 710130926 /nfs/dbraw/zinc/13/09/26/710130926.db2.gz XYQMQRREIUWBBE-CQSZACIVSA-N 2 0 343.431 1.523 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003230242 710151004 /nfs/dbraw/zinc/15/10/04/710151004.db2.gz MJJZOALCDWFHIU-WMZOPIPTSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ccncc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034523861 710171720 /nfs/dbraw/zinc/17/17/20/710171720.db2.gz CELWXKAVVCFDJF-FUHWJXTLSA-N 2 0 330.476 1.812 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525429 710175666 /nfs/dbraw/zinc/17/56/66/710175666.db2.gz MPCJHDTWKBLKEX-JKSUJKDBSA-N 2 0 348.491 1.968 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309502 710238750 /nfs/dbraw/zinc/23/87/50/710238750.db2.gz BOMMTQFXEQSPQM-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC001034606737 710269770 /nfs/dbraw/zinc/26/97/70/710269770.db2.gz BYPRMNHENUFGMG-JYJNAYRXSA-N 2 0 331.464 1.396 20 0 EDADRP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034613288 710288376 /nfs/dbraw/zinc/28/83/76/710288376.db2.gz YQRFTNIBBSFUAP-JYJNAYRXSA-N 2 0 348.495 1.218 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nonc2C)CC1 ZINC001034658750 710342674 /nfs/dbraw/zinc/34/26/74/710342674.db2.gz DSXBIHVQVGIJFF-ZOBUZTSGSA-N 2 0 349.479 1.769 20 0 EDADRP O=c1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc[nH]1 ZINC000922184694 710370676 /nfs/dbraw/zinc/37/06/76/710370676.db2.gz HWAZYSKFESIZIO-UHFFFAOYSA-N 2 0 327.428 1.904 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003626103 710455363 /nfs/dbraw/zinc/45/53/63/710455363.db2.gz MAIRWRHORATGDL-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633768 710461955 /nfs/dbraw/zinc/46/19/55/710461955.db2.gz HRQRJXUXTBPABT-SUMWQHHRSA-N 2 0 333.480 1.007 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003741781 710524464 /nfs/dbraw/zinc/52/44/64/710524464.db2.gz TZWNSWKRKUWUCC-HOTGVXAUSA-N 2 0 338.496 1.094 20 0 EDADRP CC(C)=CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003777511 710546380 /nfs/dbraw/zinc/54/63/80/710546380.db2.gz QVQAZNGIHPSKBZ-UHFFFAOYSA-N 2 0 333.480 1.605 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005592444 710639539 /nfs/dbraw/zinc/63/95/39/710639539.db2.gz MNFQXXXZJAAWCQ-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001034737026 710948427 /nfs/dbraw/zinc/94/84/27/710948427.db2.gz GUVAMHSCRSMOFG-NBOOPKSLSA-N 2 0 347.507 1.618 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001005691756 711001062 /nfs/dbraw/zinc/00/10/62/711001062.db2.gz QXGIVQBOHUTTJV-CQSZACIVSA-N 2 0 343.431 1.185 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032967398 711027809 /nfs/dbraw/zinc/02/78/09/711027809.db2.gz IMCOQFYZSCJDQP-AEFFLSMTSA-N 2 0 331.460 1.822 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034779088 711083265 /nfs/dbraw/zinc/08/32/65/711083265.db2.gz OVOFERDPNLJMOG-JYJNAYRXSA-N 2 0 348.495 1.157 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034796265 711116501 /nfs/dbraw/zinc/11/65/01/711116501.db2.gz GUCSZCVMVQXTSV-VGWMRTNUSA-N 2 0 348.495 1.205 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034797034 711130048 /nfs/dbraw/zinc/13/00/48/711130048.db2.gz UFMQDMGPVVVBKR-VGWMRTNUSA-N 2 0 348.495 1.205 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001003976980 711147195 /nfs/dbraw/zinc/14/71/95/711147195.db2.gz UWCNOHDDDHZRML-SFHVURJKSA-N 2 0 345.487 1.601 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)cn1 ZINC001034812539 711182638 /nfs/dbraw/zinc/18/26/38/711182638.db2.gz NESYERIBPSLKKQ-GOSISDBHSA-N 2 0 341.459 1.420 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001003984104 711184273 /nfs/dbraw/zinc/18/42/73/711184273.db2.gz BCTZGTGJUZFKGU-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001034830788 711236773 /nfs/dbraw/zinc/23/67/73/711236773.db2.gz DUDHWHJIAXSCCY-QGZVFWFLSA-N 2 0 342.443 1.841 20 0 EDADRP CN(C)c1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)ccn1 ZINC001034882344 711283179 /nfs/dbraw/zinc/28/31/79/711283179.db2.gz VCXGAVNYMIQZCY-SJORKVTESA-N 2 0 345.491 1.322 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034934495 711360818 /nfs/dbraw/zinc/36/08/18/711360818.db2.gz OBPLKLVUMLYFSD-SJORKVTESA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nc[nH]c1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001004055901 711382010 /nfs/dbraw/zinc/38/20/10/711382010.db2.gz KKKJKRPFSNRZSR-UHFFFAOYSA-N 2 0 333.461 1.540 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)o1 ZINC001034942577 711395466 /nfs/dbraw/zinc/39/54/66/711395466.db2.gz YXSDWNOFXYQBRX-IAGOWNOFSA-N 2 0 346.475 1.714 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034958866 711432793 /nfs/dbraw/zinc/43/27/93/711432793.db2.gz MVUIUFXYLBLUQS-ZWKOTPCHSA-N 2 0 347.507 1.764 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)no2)CC[N@@H+]1C ZINC001034940922 711445083 /nfs/dbraw/zinc/44/50/83/711445083.db2.gz HJRRVBIUHYTLOA-HYVNUMGLSA-N 2 0 334.464 1.794 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCOC3)C2 ZINC000922385570 711445406 /nfs/dbraw/zinc/44/54/06/711445406.db2.gz JFMZGBDJUAJGAI-NXWXRZEISA-N 2 0 348.491 1.062 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001034941314 711446033 /nfs/dbraw/zinc/44/60/33/711446033.db2.gz MQKNFWXJNKLOOX-QZTJIDSGSA-N 2 0 346.450 1.643 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034941317 711446250 /nfs/dbraw/zinc/44/62/50/711446250.db2.gz MSTVFLGKWPIWMD-MOPGFXCFSA-N 2 0 342.487 1.812 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C2 ZINC000922390455 711453919 /nfs/dbraw/zinc/45/39/19/711453919.db2.gz MUPICEFTWJMLMA-GBOPCIDUSA-N 2 0 346.397 1.998 20 0 EDADRP Cc1nc(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC001004145807 711555789 /nfs/dbraw/zinc/55/57/89/711555789.db2.gz VAGKPRLEIAJCHD-CQSZACIVSA-N 2 0 336.505 1.526 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004477198 711857425 /nfs/dbraw/zinc/85/74/25/711857425.db2.gz OPSSEFJRMHJIJZ-SFHVURJKSA-N 2 0 349.519 1.964 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([C@H]3CCC[N@@H+]3CCO)CC2)CC1 ZINC001004587169 712021561 /nfs/dbraw/zinc/02/15/61/712021561.db2.gz XNHUWVOSCRJMNS-GOSISDBHSA-N 2 0 337.508 1.414 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000168003084 529374476 /nfs/dbraw/zinc/37/44/76/529374476.db2.gz OQKIFCIPQRYVRN-ATLSCFEFSA-N 2 0 333.476 1.626 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552944 214134326 /nfs/dbraw/zinc/13/43/26/214134326.db2.gz KFAJMFXZSTZCHB-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2cccc(C[NH+](C)C)c2)CC1=O ZINC000173918983 231070482 /nfs/dbraw/zinc/07/04/82/231070482.db2.gz MYYLSABFCSENQN-OAHLLOKOSA-N 2 0 332.448 1.097 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)C1 ZINC000458505461 282193077 /nfs/dbraw/zinc/19/30/77/282193077.db2.gz NDKOFRDVAUGTGH-ARFHVFGLSA-N 2 0 326.485 1.005 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354836090 282237912 /nfs/dbraw/zinc/23/79/12/282237912.db2.gz AVXFHGJMXBNWEW-RBUKOAKNSA-N 2 0 344.503 1.574 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000154228556 530062384 /nfs/dbraw/zinc/06/23/84/530062384.db2.gz UGZJEIMZCQVSOO-KURKYZTESA-N 2 0 331.460 1.080 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177971965 232045286 /nfs/dbraw/zinc/04/52/86/232045286.db2.gz ZSGSRSRQWJKIAG-OXQOHEQNSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[NH+]1CC(C)C1 ZINC000561266107 306286135 /nfs/dbraw/zinc/28/61/35/306286135.db2.gz LELRAGOFZTZBFO-MRXNPFEDSA-N 2 0 345.487 1.600 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337691090 539690972 /nfs/dbraw/zinc/69/09/72/539690972.db2.gz URWBCJVZSOODKP-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000343007419 539774722 /nfs/dbraw/zinc/77/47/22/539774722.db2.gz GJBFCDISWAUNOI-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000343013279 539776405 /nfs/dbraw/zinc/77/64/05/539776405.db2.gz MZJPQFPMBJFDRJ-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000347319798 539863720 /nfs/dbraw/zinc/86/37/20/539863720.db2.gz RIEFFJCXJFJWKU-QRVBRYPASA-N 2 0 341.540 1.654 20 0 EDADRP C[C@@H]([NH2+]CCOc1ccc(S(C)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000153147760 539856383 /nfs/dbraw/zinc/85/63/83/539856383.db2.gz QSPBCBVZYUKZCO-CQSZACIVSA-N 2 0 340.489 1.789 20 0 EDADRP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316346 539922836 /nfs/dbraw/zinc/92/28/36/539922836.db2.gz QJFNFWLLWYLVQT-GVDBMIGSSA-N 2 0 325.522 1.411 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@@H](C[NH+](C)CC3CC3)C2)C[C@H](C)O1 ZINC000355356673 539954860 /nfs/dbraw/zinc/95/48/60/539954860.db2.gz YZRUOXZNVXWMMW-OGWHTMIXSA-N 2 0 339.524 1.120 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000346387025 535208196 /nfs/dbraw/zinc/20/81/96/535208196.db2.gz ZFIKUKHMTZVQDS-IXDOHACOSA-N 2 0 341.496 1.101 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000563134288 306319821 /nfs/dbraw/zinc/31/98/21/306319821.db2.gz XPCBCJKCQRRLKP-ZOWXZIJZSA-N 2 0 348.447 1.252 20 0 EDADRP C[NH+](C)CCn1nnnc1S[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412998305 304048656 /nfs/dbraw/zinc/04/86/56/304048656.db2.gz YOXYJLBUCGZODF-OAHLLOKOSA-N 2 0 332.477 1.601 20 0 EDADRP CN(CCC[NH3+])C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000563489936 306335363 /nfs/dbraw/zinc/33/53/63/306335363.db2.gz PXNDTGDVSYWDSH-UHFFFAOYSA-N 2 0 332.448 1.069 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000563586761 306340177 /nfs/dbraw/zinc/34/01/77/306340177.db2.gz CMAYAVNBNYPXIX-GOSISDBHSA-N 2 0 343.475 1.834 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563609594 306341798 /nfs/dbraw/zinc/34/17/98/306341798.db2.gz BRWJILHZJOFAMW-INIZCTEOSA-N 2 0 340.512 1.709 20 0 EDADRP CN(C)C(=O)CN1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133475812 138393883 /nfs/dbraw/zinc/39/38/83/138393883.db2.gz RLVOOSFPTFBSSN-KRWDZBQOSA-N 2 0 345.491 1.004 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000563873782 306350960 /nfs/dbraw/zinc/35/09/60/306350960.db2.gz UEIKEJDMYPRBHL-HNNXBMFYSA-N 2 0 332.448 1.301 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652206 306362127 /nfs/dbraw/zinc/36/21/27/306362127.db2.gz FNQZEDIZPVMKRX-IPMKNSEASA-N 2 0 342.487 1.846 20 0 EDADRP C[N@H+](C[C@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000564723469 306363712 /nfs/dbraw/zinc/36/37/12/306363712.db2.gz JZXVKLKIFJGPQJ-LJQANCHMSA-N 2 0 333.476 1.428 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000564792866 306365053 /nfs/dbraw/zinc/36/50/53/306365053.db2.gz KCDYLKOCZCKPJN-OALUTQOASA-N 2 0 349.519 1.596 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947671 306370995 /nfs/dbraw/zinc/37/09/95/306370995.db2.gz WNAGDZXLNZDNJA-FCEWJHQRSA-N 2 0 346.475 1.210 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCc3ccccc3NC2=O)CC1 ZINC000420338486 283593252 /nfs/dbraw/zinc/59/32/52/283593252.db2.gz RNEQEPIEXYDNHB-NJAFHUGGSA-N 2 0 329.444 1.768 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])nc2)CC1 ZINC000566167625 306401210 /nfs/dbraw/zinc/40/12/10/306401210.db2.gz AEZMOTJHMWIIJL-GDBMZVCRSA-N 2 0 331.464 1.680 20 0 EDADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000414526262 304121660 /nfs/dbraw/zinc/12/16/60/304121660.db2.gz ODZKARJDRPJIPG-UHFFFAOYSA-N 2 0 326.444 1.902 20 0 EDADRP COCC[N@H+](CCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693562 304128598 /nfs/dbraw/zinc/12/85/98/304128598.db2.gz CFSACCLLTTZHME-SFHVURJKSA-N 2 0 333.476 1.375 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000414699600 304129218 /nfs/dbraw/zinc/12/92/18/304129218.db2.gz JEMYZJODGKUDRX-AWEZNQCLSA-N 2 0 332.448 1.193 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702416 304129979 /nfs/dbraw/zinc/12/99/79/304129979.db2.gz WXUZLFIWKKPHQI-OWCLPIDISA-N 2 0 339.480 1.108 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414707556 304130728 /nfs/dbraw/zinc/13/07/28/304130728.db2.gz PUMMRTQLGWZUDW-ZDUSSCGKSA-N 2 0 330.432 1.219 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000414725741 304133430 /nfs/dbraw/zinc/13/34/30/304133430.db2.gz JELBJGCPZVDLKQ-MAUKXSAKSA-N 2 0 345.491 1.996 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H]([NH3+])[C@H]2C)CC1 ZINC000414743696 304136099 /nfs/dbraw/zinc/13/60/99/304136099.db2.gz VYFLTOYZEDPJKP-CABCVRRESA-N 2 0 331.464 1.782 20 0 EDADRP COc1cc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc(OC)c1 ZINC000414760115 304137756 /nfs/dbraw/zinc/13/77/56/304137756.db2.gz XVIXJMHEJGWXPG-KGLIPLIRSA-N 2 0 335.448 1.962 20 0 EDADRP COc1ccc2c(c1)OCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000414759186 304138006 /nfs/dbraw/zinc/13/80/06/304138006.db2.gz DIAPBERQBMVORC-AWEZNQCLSA-N 2 0 333.432 1.087 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000414794541 304141202 /nfs/dbraw/zinc/14/12/02/304141202.db2.gz FXIQXHMEBDJVQA-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1CC[NH2+]CC1 ZINC000415064670 304156372 /nfs/dbraw/zinc/15/63/72/304156372.db2.gz DJRMSTQEVKOBSH-UHFFFAOYSA-N 2 0 334.489 1.715 20 0 EDADRP COC(=O)[C@@H]1[C@@H]2CCC[C@@H]2C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249282609 284206536 /nfs/dbraw/zinc/20/65/36/284206536.db2.gz NCQYEDJLJOYAJY-KURKYZTESA-N 2 0 337.508 1.676 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415107137 304160537 /nfs/dbraw/zinc/16/05/37/304160537.db2.gz KJIIURNPDYNPMJ-IBGZPJMESA-N 2 0 346.519 1.768 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000415145176 304164835 /nfs/dbraw/zinc/16/48/35/304164835.db2.gz VWZVVWHHOOPHTF-UKRRQHHQSA-N 2 0 330.432 1.040 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236793864 139031695 /nfs/dbraw/zinc/03/16/95/139031695.db2.gz OQEMVYXARSZLCN-IBGZPJMESA-N 2 0 346.519 1.828 20 0 EDADRP CC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000236939233 139035592 /nfs/dbraw/zinc/03/55/92/139035592.db2.gz XRAAFUWAHCRZQG-CJNGLKHVSA-N 2 0 336.455 1.882 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000237017484 139038190 /nfs/dbraw/zinc/03/81/90/139038190.db2.gz SPMKZXIDBYZRCW-YOEHRIQHSA-N 2 0 329.448 1.352 20 0 EDADRP C[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237580420 139054657 /nfs/dbraw/zinc/05/46/57/139054657.db2.gz DXGNUIFWIOIPIU-FQEVSTJZSA-N 2 0 344.503 1.453 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602692 139055476 /nfs/dbraw/zinc/05/54/76/139055476.db2.gz ZZIMEWQCEXFNAT-IYBDPMFKSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1)C1CC1 ZINC000415272839 304182665 /nfs/dbraw/zinc/18/26/65/304182665.db2.gz QTQAZJGLGLUXKW-HNNXBMFYSA-N 2 0 344.459 1.212 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2)C1 ZINC000415298692 304188509 /nfs/dbraw/zinc/18/85/09/304188509.db2.gz XLPNOAHEJUYHAA-CQSZACIVSA-N 2 0 332.448 1.322 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000415350140 304200706 /nfs/dbraw/zinc/20/07/06/304200706.db2.gz FGWIRLRYRDIHQY-INIZCTEOSA-N 2 0 344.459 1.071 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415374910 304207750 /nfs/dbraw/zinc/20/77/50/304207750.db2.gz ZYHGGVNNWFIDAN-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP CN(CC[N@H+](C)C[C@@H](O)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000248547402 139167137 /nfs/dbraw/zinc/16/71/37/139167137.db2.gz FEIUHHSRWKHXIX-FQEVSTJZSA-N 2 0 333.520 1.938 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CCCO1 ZINC000248593564 139168423 /nfs/dbraw/zinc/16/84/23/139168423.db2.gz LSEUQNCYGGQVTN-ULQDDVLXSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[NH+]1CC1(C[N@H+]2[C@H](C)C[C@@H](O)C[C@@H]2C)COC1 ZINC000248820441 139176197 /nfs/dbraw/zinc/17/61/97/139176197.db2.gz IUYHAWXRRMDOAV-TYTBLDAYSA-N 2 0 340.508 1.470 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000092615541 218154386 /nfs/dbraw/zinc/15/43/86/218154386.db2.gz RKBJSTRHFXPHES-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000415412300 304216667 /nfs/dbraw/zinc/21/66/67/304216667.db2.gz MOMKPTSLCBPTBI-OAHLLOKOSA-N 2 0 346.475 1.235 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000112215764 220263889 /nfs/dbraw/zinc/26/38/89/220263889.db2.gz HSKPWYLWRXCFLZ-CVEARBPZSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000249271789 139190023 /nfs/dbraw/zinc/19/00/23/139190023.db2.gz BJZJGEOQZYILHC-RCCFBDPRSA-N 2 0 333.476 1.953 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2C1 ZINC000415418114 304219165 /nfs/dbraw/zinc/21/91/65/304219165.db2.gz NZLGMUJNLGEDHB-KBPBESRZSA-N 2 0 346.475 1.791 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000261608821 139210556 /nfs/dbraw/zinc/21/05/56/139210556.db2.gz DGTMGEQKYWHVFW-HNNXBMFYSA-N 2 0 328.416 1.629 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000261637943 139213308 /nfs/dbraw/zinc/21/33/08/139213308.db2.gz DPNYUYBDHIXJHY-GJZGRUSLSA-N 2 0 336.505 1.840 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COC1CC[NH2+]CC1)c1ccccc1 ZINC000261631293 139212779 /nfs/dbraw/zinc/21/27/79/139212779.db2.gz HJKXOHYKGYLQCH-GOSISDBHSA-N 2 0 333.476 1.954 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000261687340 139217550 /nfs/dbraw/zinc/21/75/50/139217550.db2.gz IQSXVSFCXPFABV-CYBMUJFWSA-N 2 0 329.366 1.992 20 0 EDADRP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)C2 ZINC000261756020 139223588 /nfs/dbraw/zinc/22/35/88/139223588.db2.gz LKSJFJFXCRUHIV-CJNGLKHVSA-N 2 0 334.464 1.366 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261786891 139226025 /nfs/dbraw/zinc/22/60/25/139226025.db2.gz GIBDEHVMYQRULE-LSDHHAIUSA-N 2 0 339.892 1.908 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000261774393 139224975 /nfs/dbraw/zinc/22/49/75/139224975.db2.gz MPTZPTVSBDLZRI-MSOLQXFVSA-N 2 0 331.460 1.694 20 0 EDADRP Cc1cc(NC(=O)[C@H]2CC23CC[NH2+]CC3)n(C2CC[NH+](C)CC2)n1 ZINC000261956676 139239973 /nfs/dbraw/zinc/23/99/73/139239973.db2.gz QXEOJBHPZZFXPQ-OAHLLOKOSA-N 2 0 331.464 1.786 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000262044844 139246229 /nfs/dbraw/zinc/24/62/29/139246229.db2.gz YYUSSUMHCPFQFT-VAMGGRTRSA-N 2 0 347.503 1.874 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414909784 250885842 /nfs/dbraw/zinc/88/58/42/250885842.db2.gz CKRLNQOORZAVHO-KRWDZBQOSA-N 2 0 344.459 1.214 20 0 EDADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262136866 139254046 /nfs/dbraw/zinc/25/40/46/139254046.db2.gz OWEJLFWPVAMTOU-LJQANCHMSA-N 2 0 325.460 1.411 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[C@H](C)[NH3+] ZINC000415776829 251025181 /nfs/dbraw/zinc/02/51/81/251025181.db2.gz BYBTYBIVDLVVKO-QWHCGFSZSA-N 2 0 332.448 1.114 20 0 EDADRP COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)c(OC)c1 ZINC000262202258 139259555 /nfs/dbraw/zinc/25/95/55/139259555.db2.gz SKRGAFAZKRJGLZ-QGZVFWFLSA-N 2 0 347.459 1.663 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000262214265 139260638 /nfs/dbraw/zinc/26/06/38/139260638.db2.gz FDQWUAGVDJMYPN-JKSUJKDBSA-N 2 0 339.867 1.784 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000415572998 304228744 /nfs/dbraw/zinc/22/87/44/304228744.db2.gz VBINPHAHTLAEJS-UONOGXRCSA-N 2 0 332.448 1.204 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000262298384 139267838 /nfs/dbraw/zinc/26/78/38/139267838.db2.gz WZAVURFDPYURML-RDJZCZTQSA-N 2 0 349.450 1.785 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417007192 251128189 /nfs/dbraw/zinc/12/81/89/251128189.db2.gz GZCREMCXXUINAD-BBWFWOEESA-N 2 0 340.512 1.645 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000417007525 251128850 /nfs/dbraw/zinc/12/88/50/251128850.db2.gz LAMXMBHNBYNWRY-ROUUACIJSA-N 2 0 332.492 1.976 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417004533 251126710 /nfs/dbraw/zinc/12/67/10/251126710.db2.gz CNPDEYIMPJFVMY-QGTPRVQTSA-N 2 0 330.476 1.954 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000417204073 251146634 /nfs/dbraw/zinc/14/66/34/251146634.db2.gz ZRFSTDLGTCGSGH-FGTMMUONSA-N 2 0 332.492 1.976 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000417322635 251159886 /nfs/dbraw/zinc/15/98/86/251159886.db2.gz WEWXDWQXDTXWOK-WBAXXEDZSA-N 2 0 348.491 1.780 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417497006 251180985 /nfs/dbraw/zinc/18/09/85/251180985.db2.gz CJUFWPNOPYFGSP-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417555143 251186798 /nfs/dbraw/zinc/18/67/98/251186798.db2.gz XOMKQAHGTRVWOO-INIZCTEOSA-N 2 0 334.464 1.180 20 0 EDADRP COCC1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262413156 139277391 /nfs/dbraw/zinc/27/73/91/139277391.db2.gz SXCSLZDKADRADZ-INIZCTEOSA-N 2 0 333.476 1.639 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000417827803 251287132 /nfs/dbraw/zinc/28/71/32/251287132.db2.gz OCVBUXMWQHURJW-ZBFHGGJFSA-N 2 0 328.526 1.631 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](C)[C@H](C)[NH3+])CC2)c1 ZINC000262516856 139283678 /nfs/dbraw/zinc/28/36/78/139283678.db2.gz GTORODRLHAKNSA-SJORKVTESA-N 2 0 332.492 1.607 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418476388 251373667 /nfs/dbraw/zinc/37/36/67/251373667.db2.gz TZJAQTZTFBKGGQ-KRWDZBQOSA-N 2 0 340.512 1.504 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418165196 251350925 /nfs/dbraw/zinc/35/09/25/251350925.db2.gz IFDAJMDREDYKIK-GOSISDBHSA-N 2 0 348.491 1.942 20 0 EDADRP C[C@H](NC(=O)NCc1ccncc1OCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418196283 251354829 /nfs/dbraw/zinc/35/48/29/251354829.db2.gz RAGPFLRBCBGQAD-LSDHHAIUSA-N 2 0 349.479 1.209 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000418406657 251365585 /nfs/dbraw/zinc/36/55/85/251365585.db2.gz SAWRBYLZUFSJTK-UHFFFAOYSA-N 2 0 339.528 1.315 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418526837 251375762 /nfs/dbraw/zinc/37/57/62/251375762.db2.gz OREAUBDVJCHPKU-QGZVFWFLSA-N 2 0 345.491 1.959 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C[C@@H]1CC ZINC000418584097 251378643 /nfs/dbraw/zinc/37/86/43/251378643.db2.gz XGSZSPKAEKZRBW-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CN(C(=O)CCCCCC[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000262652232 139293194 /nfs/dbraw/zinc/29/31/94/139293194.db2.gz RPXPAHIOKAVBMP-UHFFFAOYSA-N 2 0 335.496 1.715 20 0 EDADRP CN1CCC(CNC(=O)CCCCCC[NH3+])([NH+]2CCCCC2)CC1 ZINC000262655249 139293606 /nfs/dbraw/zinc/29/36/06/139293606.db2.gz UEZLOPIZOIKOSM-UHFFFAOYSA-N 2 0 338.540 1.962 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)C[C@@H](C)O1 ZINC000262655754 139293626 /nfs/dbraw/zinc/29/36/26/139293626.db2.gz UISSBYDVFHJTCX-AHCXZYCDSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262665938 139294663 /nfs/dbraw/zinc/29/46/63/139294663.db2.gz JQWBDHQJBFHYTR-LPHOPBHVSA-N 2 0 345.487 1.893 20 0 EDADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331615 251677522 /nfs/dbraw/zinc/67/75/22/251677522.db2.gz RAULGZJDUAUDLC-RTBURBONSA-N 2 0 345.487 1.771 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262787115 139303542 /nfs/dbraw/zinc/30/35/42/139303542.db2.gz CTURFLUOMFFNCE-HUUCEWRRSA-N 2 0 337.489 1.583 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262885627 139310518 /nfs/dbraw/zinc/31/05/18/139310518.db2.gz WKHBVRZQWDQFRP-GOSISDBHSA-N 2 0 346.519 1.828 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262885439 139310541 /nfs/dbraw/zinc/31/05/41/139310541.db2.gz GERVLRNYZDWZPB-GJZGRUSLSA-N 2 0 335.473 1.207 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888656 252011990 /nfs/dbraw/zinc/01/19/90/252011990.db2.gz DMSJMTMQIFITPT-XLIONFOSSA-N 3 0 330.520 1.912 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886490 252012198 /nfs/dbraw/zinc/01/21/98/252012198.db2.gz JERQUVWZTXTMOD-MPGHIAIKSA-N 3 0 332.492 1.599 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422897752 252015166 /nfs/dbraw/zinc/01/51/66/252015166.db2.gz COPHPJXGWARLMB-IAGOWNOFSA-N 2 0 339.505 1.731 20 0 EDADRP COCCOc1cccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422899791 252016863 /nfs/dbraw/zinc/01/68/63/252016863.db2.gz PEWRLFYWNWYXSJ-GUDVDZBRSA-N 2 0 334.460 1.959 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000422860729 252004060 /nfs/dbraw/zinc/00/40/60/252004060.db2.gz MUAYEKYCJYPZNS-CVEARBPZSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000423074163 252035383 /nfs/dbraw/zinc/03/53/83/252035383.db2.gz KVGQSNAPQBWAPN-DGCLKSJQSA-N 2 0 327.266 1.798 20 0 EDADRP CN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094569 252036986 /nfs/dbraw/zinc/03/69/86/252036986.db2.gz KKMBGBZOTQKVSF-DOMZBBRYSA-N 2 0 329.441 1.163 20 0 EDADRP CCOC(=O)c1cnn(C2CC[NH+](C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000423152197 252038677 /nfs/dbraw/zinc/03/86/77/252038677.db2.gz DYFGHFNFDAKAAX-FKEKPDDDSA-N 2 0 332.448 1.980 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000423179337 252044380 /nfs/dbraw/zinc/04/43/80/252044380.db2.gz MALNMKLQLIHIRJ-KRWDZBQOSA-N 2 0 327.476 1.877 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000423351283 252048725 /nfs/dbraw/zinc/04/87/25/252048725.db2.gz HSXUFAYGYVLZQQ-HZPDHXFCSA-N 2 0 347.507 1.739 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000423352830 252050446 /nfs/dbraw/zinc/05/04/46/252050446.db2.gz CAPNZVJFMTZUFT-GOSISDBHSA-N 2 0 345.487 1.436 20 0 EDADRP CC[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422907973 252018481 /nfs/dbraw/zinc/01/84/81/252018481.db2.gz CMUCODGUHBQUHW-RTBURBONSA-N 2 0 346.519 1.988 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913366 252020552 /nfs/dbraw/zinc/02/05/52/252020552.db2.gz PVKUFSVBQRHQLI-RBUKOAKNSA-N 3 0 344.503 1.729 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423778484 252071045 /nfs/dbraw/zinc/07/10/45/252071045.db2.gz TWRYSPLVVWTMAU-GJZGRUSLSA-N 2 0 325.840 1.437 20 0 EDADRP [NH3+]C1(CNC(=O)c2cnccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000424021468 252115370 /nfs/dbraw/zinc/11/53/70/252115370.db2.gz QPNYNCGBFDCWMF-UHFFFAOYSA-N 2 0 325.416 1.200 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H](C)[NH3+] ZINC000423790323 252075219 /nfs/dbraw/zinc/07/52/19/252075219.db2.gz GKFWRHFGYHVIEN-FUHWJXTLSA-N 2 0 339.524 1.957 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424147294 252143540 /nfs/dbraw/zinc/14/35/40/252143540.db2.gz RHORECHIQOPBAZ-GJZGRUSLSA-N 2 0 334.468 1.007 20 0 EDADRP [NH3+][C@@H]1C[C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000424147638 252143617 /nfs/dbraw/zinc/14/36/17/252143617.db2.gz RXINHKDXVUOPGE-JKSUJKDBSA-N 2 0 337.851 1.647 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424150634 252145131 /nfs/dbraw/zinc/14/51/31/252145131.db2.gz DOXLOVAMPQEEHD-AWEZNQCLSA-N 2 0 325.416 1.410 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424219123 252166521 /nfs/dbraw/zinc/16/65/21/252166521.db2.gz ZLOSOZVLVZHEDS-INIZCTEOSA-N 2 0 337.439 1.437 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424229488 252172425 /nfs/dbraw/zinc/17/24/25/252172425.db2.gz XIDRHIQTPGIOPP-DLBZAZTESA-N 2 0 335.496 1.575 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000424285145 252189779 /nfs/dbraw/zinc/18/97/79/252189779.db2.gz FGPNGPBYVDULOM-RTBURBONSA-N 2 0 344.503 1.758 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262940105 139314081 /nfs/dbraw/zinc/31/40/81/139314081.db2.gz UKADVRMNMZQHNT-YJBOKZPZSA-N 2 0 333.476 1.899 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285210 252190658 /nfs/dbraw/zinc/19/06/58/252190658.db2.gz FOVBCVOPLBXJTG-HNNXBMFYSA-N 2 0 331.460 1.775 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000424467191 252239614 /nfs/dbraw/zinc/23/96/14/252239614.db2.gz MPWNMJHDKIYKEB-CZUORRHYSA-N 2 0 332.448 1.191 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479838 252248236 /nfs/dbraw/zinc/24/82/36/252248236.db2.gz OXWJNJVTWCVJBF-OKZBNKHCSA-N 2 0 328.460 1.512 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000263241562 139330540 /nfs/dbraw/zinc/33/05/40/139330540.db2.gz GLHLKOHPTVJEAR-KSZLIROESA-N 2 0 336.524 1.297 20 0 EDADRP CC(C)NC(=O)NCC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000569924309 306525224 /nfs/dbraw/zinc/52/52/24/306525224.db2.gz UQUMZASVVROKMC-HZPDHXFCSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)C[C@@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000112403680 220322772 /nfs/dbraw/zinc/32/27/72/220322772.db2.gz CQZNJOYNKWBPFX-KRWDZBQOSA-N 2 0 347.507 1.540 20 0 EDADRP [NH3+][C@H](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000263338596 139336843 /nfs/dbraw/zinc/33/68/43/139336843.db2.gz OGWLGVAYXKQPLU-GOSISDBHSA-N 2 0 331.460 1.647 20 0 EDADRP COC[C@H](O)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000153744213 533112534 /nfs/dbraw/zinc/11/25/34/533112534.db2.gz ZDCRCDJPCBIHAG-GOSISDBHSA-N 2 0 335.492 1.704 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)NCCOCC[NH+](C)C)CC2)CC1 ZINC000471644649 255015236 /nfs/dbraw/zinc/01/52/36/255015236.db2.gz NRMQZELLZMQXGC-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637542 285244252 /nfs/dbraw/zinc/24/42/52/285244252.db2.gz YTXVOOCXWUVWQA-QWHCGFSZSA-N 2 0 338.418 1.995 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000489494924 255068759 /nfs/dbraw/zinc/06/87/59/255068759.db2.gz IEDDIFGJCFGNJY-IIAWOOMASA-N 2 0 328.526 1.596 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)n(C)c2=O)[C@@H](C)C1 ZINC000494485302 255252367 /nfs/dbraw/zinc/25/23/67/255252367.db2.gz LUWDTSXGIPQPQT-MAUKXSAKSA-N 2 0 335.492 1.920 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000494842500 255263006 /nfs/dbraw/zinc/26/30/06/255263006.db2.gz PTRHMHXRLWUVDN-SFHVURJKSA-N 2 0 340.556 1.839 20 0 EDADRP C[C@H](C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)N1CC[NH+](C)CC1 ZINC000496444773 255392649 /nfs/dbraw/zinc/39/26/49/255392649.db2.gz UKXVLYQJMBJMBT-HUUCEWRRSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868197 221198520 /nfs/dbraw/zinc/19/85/20/221198520.db2.gz UFPZFDZJUHTHDG-AWEZNQCLSA-N 2 0 346.475 1.776 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@H](C)C[C@H]2C)C1 ZINC000119238537 221274598 /nfs/dbraw/zinc/27/45/98/221274598.db2.gz CZEXFJJYHZPLSJ-BSDSXHPESA-N 2 0 339.524 1.874 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COCc1cccs1 ZINC000119290741 221287269 /nfs/dbraw/zinc/28/72/69/221287269.db2.gz VHDOBRGGYQAQFV-MRXNPFEDSA-N 2 0 341.521 1.195 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000264293533 139394275 /nfs/dbraw/zinc/39/42/75/139394275.db2.gz OUOIGGZGXPIHKT-INIZCTEOSA-N 2 0 333.476 1.674 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000271768011 140346973 /nfs/dbraw/zinc/34/69/73/140346973.db2.gz CEPZASOPKGDHDI-INIZCTEOSA-N 2 0 336.480 1.384 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000331494639 141038807 /nfs/dbraw/zinc/03/88/07/141038807.db2.gz KCYGTIXFMNMEKJ-IAGOWNOFSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332531683 141197478 /nfs/dbraw/zinc/19/74/78/141197478.db2.gz HJUGQBKFNCTQOO-VZEFYGNVSA-N 2 0 334.439 1.650 20 0 EDADRP CC1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[NH2+]CC1 ZINC000333119080 141267120 /nfs/dbraw/zinc/26/71/20/141267120.db2.gz AHWPFIWCIRPZHU-UHFFFAOYSA-N 2 0 338.496 1.320 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000333186066 141277916 /nfs/dbraw/zinc/27/79/16/141277916.db2.gz SXMAJMKQUGWTKD-ZWKOTPCHSA-N 2 0 343.475 1.995 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000333260052 141289075 /nfs/dbraw/zinc/28/90/75/141289075.db2.gz ISGYSONTLDAWQJ-IXDOHACOSA-N 2 0 331.464 1.506 20 0 EDADRP Cc1cc(NC(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)cn2ccnc12 ZINC000333317641 141298169 /nfs/dbraw/zinc/29/81/69/141298169.db2.gz MNHWKNATNBRHKJ-OAHLLOKOSA-N 2 0 328.420 1.154 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481111 141324416 /nfs/dbraw/zinc/32/44/16/141324416.db2.gz CBXQCJMYNORVAY-HLLBOEOZSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000333521244 141331114 /nfs/dbraw/zinc/33/11/14/141331114.db2.gz GRPAADYLNCAEOR-AEFFLSMTSA-N 2 0 343.475 1.691 20 0 EDADRP C[C@H]1CC2(CN1C(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)CC[NH2+]CC2 ZINC000333552567 141335775 /nfs/dbraw/zinc/33/57/75/141335775.db2.gz JRMMPUAFVKYVOW-HOCLYGCPSA-N 2 0 331.464 1.412 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333853423 141394554 /nfs/dbraw/zinc/39/45/54/141394554.db2.gz OBEJVEJSIIVRAN-ATLSCFEFSA-N 2 0 337.508 1.994 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000339395952 142036264 /nfs/dbraw/zinc/03/62/64/142036264.db2.gz VCDNPOAWJBULHT-OALUTQOASA-N 2 0 338.540 1.198 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C)C(C)C ZINC000339610822 142092892 /nfs/dbraw/zinc/09/28/92/142092892.db2.gz HMXJDIXEAUSIHD-JKSUJKDBSA-N 2 0 340.512 1.066 20 0 EDADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@H](C)CO ZINC000339623611 142098694 /nfs/dbraw/zinc/09/86/94/142098694.db2.gz GHQPCCUBSFDKPU-QGZVFWFLSA-N 2 0 347.503 1.778 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000339669068 142114029 /nfs/dbraw/zinc/11/40/29/142114029.db2.gz NRKMSDJNLDAGOE-UHFFFAOYSA-N 2 0 340.512 1.212 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851168 142177428 /nfs/dbraw/zinc/17/74/28/142177428.db2.gz TXMQMFJKKWDHAE-DLBZAZTESA-N 2 0 341.544 1.288 20 0 EDADRP CS(=O)(=O)CC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000340197418 142299646 /nfs/dbraw/zinc/29/96/46/142299646.db2.gz JNTBURQWSAELMV-UYSNPLJNSA-N 2 0 332.510 1.026 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000340693992 142460862 /nfs/dbraw/zinc/46/08/62/142460862.db2.gz CKEGMZOMNNXBQT-ROUUACIJSA-N 2 0 339.524 1.530 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC[N@@H+]1C[C@@H](C)O ZINC000345487667 143097191 /nfs/dbraw/zinc/09/71/91/143097191.db2.gz MOJWGKBAGADMOF-QBPKDAKJSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000346214836 143179724 /nfs/dbraw/zinc/17/97/24/143179724.db2.gz ZAPOWAOREIDTLX-QGZVFWFLSA-N 2 0 341.459 1.730 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@@H]1C ZINC000346278050 143186157 /nfs/dbraw/zinc/18/61/57/143186157.db2.gz PJMIXIXWKXUJKR-HOTGVXAUSA-N 2 0 339.528 1.137 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000346619259 143222584 /nfs/dbraw/zinc/22/25/84/143222584.db2.gz KRRYUQYLABCTOX-GVDBMIGSSA-N 2 0 340.512 1.469 20 0 EDADRP CCc1ncc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000346667889 143228858 /nfs/dbraw/zinc/22/88/58/143228858.db2.gz FIWRRZGGCXLOBN-ZFWWWQNUSA-N 2 0 336.505 1.786 20 0 EDADRP CNC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1c1cnn(C)c1 ZINC000346876845 143254866 /nfs/dbraw/zinc/25/48/66/143254866.db2.gz MLGKUFJBOOYWMS-YESZJQIVSA-N 2 0 333.480 1.056 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000346986798 143268757 /nfs/dbraw/zinc/26/87/57/143268757.db2.gz LMWWCWHZSDGXGG-QGZVFWFLSA-N 2 0 334.464 1.268 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000347040466 143275322 /nfs/dbraw/zinc/27/53/22/143275322.db2.gz KMHMCJZTGCPTAP-MRXNPFEDSA-N 2 0 327.432 1.159 20 0 EDADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000573087704 306611271 /nfs/dbraw/zinc/61/12/71/306611271.db2.gz QIENZEAEZVKSOC-HZPDHXFCSA-N 2 0 346.479 1.121 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000416848821 304351792 /nfs/dbraw/zinc/35/17/92/304351792.db2.gz WZZQWLZOZSVELY-MSOLQXFVSA-N 2 0 348.491 1.747 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@@H](C)C1 ZINC000236866179 286061109 /nfs/dbraw/zinc/06/11/09/286061109.db2.gz KIYVPTSXDXEIHH-ULQDDVLXSA-N 2 0 337.508 1.629 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416855621 304352122 /nfs/dbraw/zinc/35/21/22/304352122.db2.gz WCTXLEQUWZDNOF-GOEBONIOSA-N 2 0 334.464 1.739 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000416965216 304356530 /nfs/dbraw/zinc/35/65/30/304356530.db2.gz DATFMVRDMZXTEW-GOSISDBHSA-N 2 0 348.491 1.786 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000369929502 155238533 /nfs/dbraw/zinc/23/85/33/155238533.db2.gz UCFZYBLLPXLTQQ-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[NH2+]CCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416964219 304356197 /nfs/dbraw/zinc/35/61/97/304356197.db2.gz CBLOPNKMPGVTES-HUUCEWRRSA-N 2 0 334.464 1.314 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416968509 304357041 /nfs/dbraw/zinc/35/70/41/304357041.db2.gz JHECJSRRACOYIK-DLBZAZTESA-N 2 0 348.491 1.944 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000416971694 304357770 /nfs/dbraw/zinc/35/77/70/304357770.db2.gz DPBGDBFQTNDGFO-WBVHZDCISA-N 2 0 348.491 1.753 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000416977404 304359592 /nfs/dbraw/zinc/35/95/92/304359592.db2.gz SWPHNNALBBTIDO-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000416976968 304359314 /nfs/dbraw/zinc/35/93/14/304359314.db2.gz ANICBZNSONDPCX-HOCLYGCPSA-N 2 0 347.463 1.200 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000416976947 304359328 /nfs/dbraw/zinc/35/93/28/304359328.db2.gz ALQHZORCPYZPBK-ZFWWWQNUSA-N 2 0 335.452 1.089 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[NH2+]1 ZINC000416980717 304360890 /nfs/dbraw/zinc/36/08/90/304360890.db2.gz ZFHWZLSEXPKAQD-GOEBONIOSA-N 2 0 334.464 1.567 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355068570 150102362 /nfs/dbraw/zinc/10/23/62/150102362.db2.gz ZVSKFTZMTVWQIF-SFHVURJKSA-N 2 0 326.481 1.889 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355176727 150153398 /nfs/dbraw/zinc/15/33/98/150153398.db2.gz VVMIMEJQNPLWLL-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCN3Cc3ccccc3)[C@@H]2C1 ZINC000355352845 150229317 /nfs/dbraw/zinc/22/93/17/150229317.db2.gz WASKTDBUYPBKQH-OTWHNJEPSA-N 2 0 343.471 1.583 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000417028584 304362149 /nfs/dbraw/zinc/36/21/49/304362149.db2.gz OPFAXOZHDTZDSL-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@]1(C)CCOC1 ZINC000355465316 150280067 /nfs/dbraw/zinc/28/00/67/150280067.db2.gz WLUXAEIORGRIIZ-QGZVFWFLSA-N 2 0 326.485 1.080 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000416986216 304361918 /nfs/dbraw/zinc/36/19/18/304361918.db2.gz IYHAGGPITSEFKT-INIZCTEOSA-N 2 0 347.507 1.313 20 0 EDADRP CN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355507700 150297093 /nfs/dbraw/zinc/29/70/93/150297093.db2.gz JJAYBJBGOLZQIN-RBUKOAKNSA-N 2 0 343.471 1.583 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000370018535 155281996 /nfs/dbraw/zinc/28/19/96/155281996.db2.gz NMZPSUFYOXVUPC-ROUUACIJSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417044672 304366023 /nfs/dbraw/zinc/36/60/23/304366023.db2.gz NIJFGWICQILFGV-KBPBESRZSA-N 2 0 332.439 1.937 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417118791 304374296 /nfs/dbraw/zinc/37/42/96/304374296.db2.gz SCXHBADDSRFFSN-CQSZACIVSA-N 2 0 326.510 1.351 20 0 EDADRP COC[C@H](C)[C@@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000360396475 152020717 /nfs/dbraw/zinc/02/07/17/152020717.db2.gz RMXOASYDRHVZBO-IIQAOJFUSA-N 2 0 337.508 1.674 20 0 EDADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000360699687 152159579 /nfs/dbraw/zinc/15/95/79/152159579.db2.gz ZCXLFYWXWDPDAJ-HNNXBMFYSA-N 2 0 340.537 1.692 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000361174800 152326606 /nfs/dbraw/zinc/32/66/06/152326606.db2.gz GDIDMVGFOLQLML-HKUYNNGSSA-N 3 0 341.540 1.417 20 0 EDADRP c1ccc(C[NH+]2C[C@@H]3CN(CC[N@@H+]4CCCOCC4)C[C@H]3C2)cc1 ZINC000361397925 152382059 /nfs/dbraw/zinc/38/20/59/152382059.db2.gz ZHCDOBNMJSQQAB-PMACEKPBSA-N 2 0 329.488 1.773 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417160190 304379166 /nfs/dbraw/zinc/37/91/66/304379166.db2.gz YCYILUHFYHLQGJ-KRWDZBQOSA-N 2 0 347.507 1.625 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417164924 304379657 /nfs/dbraw/zinc/37/96/57/304379657.db2.gz WUNUYROBFPVBOJ-KRWDZBQOSA-N 2 0 345.491 1.877 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362884765 152844591 /nfs/dbraw/zinc/84/45/91/152844591.db2.gz DHNWALXTBVYULI-UHFFFAOYSA-N 2 0 333.476 1.713 20 0 EDADRP CC[N@H+](CC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)C1CC1 ZINC000363867267 153079680 /nfs/dbraw/zinc/07/96/80/153079680.db2.gz POYIWPMSWKFCNV-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP [NH3+][C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccc(F)cc1 ZINC000364196789 153170477 /nfs/dbraw/zinc/17/04/77/153170477.db2.gz RMQAKGKFTDRQMC-LDBAOPIBSA-N 2 0 331.435 2.000 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccc(F)cc1 ZINC000417188437 304382631 /nfs/dbraw/zinc/38/26/31/304382631.db2.gz YRELKJRXVRPIEX-HYVNUMGLSA-N 2 0 334.439 1.822 20 0 EDADRP CN1CCN([C@@H](C(=O)N2[C@@H]3CC[C@H]2C[C@@H]([NH3+])C3)c2ccccc2)CC1 ZINC000364565463 153272484 /nfs/dbraw/zinc/27/24/84/153272484.db2.gz VTMUNOOHMVNBPJ-FCGDIQPGSA-N 2 0 342.487 1.456 20 0 EDADRP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000364565130 153272918 /nfs/dbraw/zinc/27/29/18/153272918.db2.gz YQGFKXCFXVFGQA-OSYLJGHBSA-N 2 0 343.475 1.074 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364724053 153314236 /nfs/dbraw/zinc/31/42/36/153314236.db2.gz MTMDBUYVSHCVJQ-YKTARERQSA-N 2 0 337.508 1.900 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000417232848 304386357 /nfs/dbraw/zinc/38/63/57/304386357.db2.gz QRAFHDYJJPOGEH-KSZLIROESA-N 2 0 330.476 1.887 20 0 EDADRP COC(=O)c1oc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)cc1C ZINC000367107838 154010356 /nfs/dbraw/zinc/01/03/56/154010356.db2.gz BGQYQJVYOVBGHN-INIZCTEOSA-N 2 0 349.475 1.834 20 0 EDADRP CN(Cc1nccs1)[C@H]1CC12CC[NH+](CCOCCO)CC2 ZINC000367253757 154055850 /nfs/dbraw/zinc/05/58/50/154055850.db2.gz SXAIQPDBDGNDTQ-AWEZNQCLSA-N 2 0 325.478 1.438 20 0 EDADRP CON(C)C(=O)CC[NH2+][C@@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000367321767 154076926 /nfs/dbraw/zinc/07/69/26/154076926.db2.gz JQUQOVCAWSTFJJ-SWLSCSKDSA-N 2 0 340.493 1.661 20 0 EDADRP CN(C(=O)NCCCC[NH+]1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367574637 154181252 /nfs/dbraw/zinc/18/12/52/154181252.db2.gz IICIEQGHSFZPEY-SJPCQFCGSA-N 2 0 338.496 1.365 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000368005236 154364937 /nfs/dbraw/zinc/36/49/37/154364937.db2.gz HTEISCXPECDAAV-PILAGYSTSA-N 2 0 331.460 1.645 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000417359310 304394953 /nfs/dbraw/zinc/39/49/53/304394953.db2.gz ILSSMXDAFWBQER-HOCLYGCPSA-N 2 0 334.464 1.506 20 0 EDADRP CC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000369455423 155042540 /nfs/dbraw/zinc/04/25/40/155042540.db2.gz JSXNGSZBCBFZMA-WBVHZDCISA-N 2 0 333.480 1.543 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[NH+]2CCC[C@@H]2C1 ZINC000369584133 155099867 /nfs/dbraw/zinc/09/98/67/155099867.db2.gz LZMRKRDBKNZVMM-LJQANCHMSA-N 2 0 342.487 1.924 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000417397224 304396594 /nfs/dbraw/zinc/39/65/94/304396594.db2.gz WXTZBSHLFSWMGF-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000417484733 304399645 /nfs/dbraw/zinc/39/96/45/304399645.db2.gz VFCYQHONAOMSHB-AEFFLSMTSA-N 2 0 346.475 1.520 20 0 EDADRP Cc1nccn1CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372163694 156250274 /nfs/dbraw/zinc/25/02/74/156250274.db2.gz IBOUPTDNSKPNDD-KRWDZBQOSA-N 2 0 334.464 1.683 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000417524779 304403268 /nfs/dbraw/zinc/40/32/68/304403268.db2.gz KTUDLHUVCYSJPF-MRXNPFEDSA-N 2 0 334.464 1.302 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417547245 304404680 /nfs/dbraw/zinc/40/46/80/304404680.db2.gz ODQYGULLHVFKFY-CYBMUJFWSA-N 2 0 348.438 1.172 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000374557951 157327882 /nfs/dbraw/zinc/32/78/82/157327882.db2.gz AVCGWIUXLXOQLZ-FQEVSTJZSA-N 2 0 345.487 1.177 20 0 EDADRP CC(C)Cn1cc(CN2CC[N@H+](C[C@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000374716184 157375737 /nfs/dbraw/zinc/37/57/37/157375737.db2.gz KXKUUYXZPVHWME-PKOBYXMFSA-N 2 0 349.523 1.376 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000375075802 157488286 /nfs/dbraw/zinc/48/82/86/157488286.db2.gz WOIBJMWUFFIEKR-HNNXBMFYSA-N 2 0 328.464 1.587 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)Cc3ccccc3)C2)CC1 ZINC000377832450 158005144 /nfs/dbraw/zinc/00/51/44/158005144.db2.gz SAUPTZXRFNBZOD-WOJBJXKFSA-N 2 0 331.504 1.690 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000377963326 158040934 /nfs/dbraw/zinc/04/09/34/158040934.db2.gz UZXRQEKOHIBIGQ-UHFFFAOYSA-N 2 0 341.496 1.106 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CCO[C@H](C)C1 ZINC000378422085 158169430 /nfs/dbraw/zinc/16/94/30/158169430.db2.gz AQZUXZLZDXEOFI-ZBFHGGJFSA-N 2 0 335.496 1.528 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC000126566544 286740092 /nfs/dbraw/zinc/74/00/92/286740092.db2.gz IFSLAPOHWMGMRA-JYJNAYRXSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417906692 304429810 /nfs/dbraw/zinc/42/98/10/304429810.db2.gz FTYNHQWIXDEZBY-OIISXLGYSA-N 2 0 340.512 1.571 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417913677 304430394 /nfs/dbraw/zinc/43/03/94/304430394.db2.gz QHJKBBPYJLCKTL-BSWAZPDLSA-N 2 0 338.496 1.052 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000352220684 162058118 /nfs/dbraw/zinc/05/81/18/162058118.db2.gz DCVXNNCTKLUEKN-KRWDZBQOSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@@H](NC(=O)NCCC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417435825 286971370 /nfs/dbraw/zinc/97/13/70/286971370.db2.gz ZKKUZWXOVYKSMK-CYBMUJFWSA-N 2 0 337.443 1.287 20 0 EDADRP C[C@@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422879269 287011021 /nfs/dbraw/zinc/01/10/21/287011021.db2.gz MAZHRQMWDCEMQR-LMPOIIKSSA-N 2 0 325.522 1.851 20 0 EDADRP CC[NH2+]CCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418177980 304460230 /nfs/dbraw/zinc/46/02/30/304460230.db2.gz IDCXYKXOGXLBEX-UHFFFAOYSA-N 2 0 334.464 1.568 20 0 EDADRP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000072759269 287256604 /nfs/dbraw/zinc/25/66/04/287256604.db2.gz JBCPLMAZXOEETM-KRWDZBQOSA-N 2 0 346.475 1.920 20 0 EDADRP [NH3+]C1(CNC(=O)NCCC[NH2+]Cc2cccnc2)CCCCCC1 ZINC000418287855 304474778 /nfs/dbraw/zinc/47/47/78/304474778.db2.gz VFOHHEINGVFSIQ-UHFFFAOYSA-N 2 0 333.480 1.912 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418326103 304480449 /nfs/dbraw/zinc/48/04/49/304480449.db2.gz XMWSHEWZNPCVJF-HNNXBMFYSA-N 2 0 340.512 1.382 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000166453192 226159208 /nfs/dbraw/zinc/15/92/08/226159208.db2.gz YIWVITKXLWTBNG-SJORKVTESA-N 2 0 346.475 1.112 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000123282482 222248910 /nfs/dbraw/zinc/24/89/10/222248910.db2.gz AUWUSACXYIHERJ-YOEHRIQHSA-N 2 0 328.501 1.109 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418390422 304489926 /nfs/dbraw/zinc/48/99/26/304489926.db2.gz XGJMWEKBNLALEX-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cncnc2)cc1 ZINC000130182990 287488056 /nfs/dbraw/zinc/48/80/56/287488056.db2.gz MYHRYDIXIFJCBM-UHFFFAOYSA-N 2 0 339.443 1.592 20 0 EDADRP CCC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000131428854 287510090 /nfs/dbraw/zinc/51/00/90/287510090.db2.gz LUELJXHMGOAMBY-UHFFFAOYSA-N 2 0 349.479 1.992 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000133358651 287537950 /nfs/dbraw/zinc/53/79/50/287537950.db2.gz AMZGQPWDKQAFKV-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000237287572 273008863 /nfs/dbraw/zinc/00/88/63/273008863.db2.gz PXBUBPGYRDXFDV-SFHVURJKSA-N 2 0 347.459 1.012 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000237186735 267925818 /nfs/dbraw/zinc/92/58/18/267925818.db2.gz IIBKNDXIWZUSIH-INIZCTEOSA-N 2 0 332.492 1.802 20 0 EDADRP C[NH+]1CCC(CC(=O)NCc2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000273256136 268005497 /nfs/dbraw/zinc/00/54/97/268005497.db2.gz XBRHCTKSNHJAJP-UHFFFAOYSA-N 2 0 345.491 1.182 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC(C)C ZINC000655911883 452667197 /nfs/dbraw/zinc/66/71/97/452667197.db2.gz IFBAETJAKDVVKM-NWDGAFQWSA-N 2 0 326.407 1.932 20 0 EDADRP C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280902452 273412872 /nfs/dbraw/zinc/41/28/72/273412872.db2.gz FVBRHFGVILSDOM-AWEZNQCLSA-N 2 0 340.489 1.855 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N(C)CC[NH+](C)C ZINC000284462322 274210695 /nfs/dbraw/zinc/21/06/95/274210695.db2.gz NMNHAQKCGMVLGY-UHFFFAOYSA-N 2 0 348.491 1.163 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000271132573 274219389 /nfs/dbraw/zinc/21/93/89/274219389.db2.gz QMTHMBPTBSQWTJ-HKUYNNGSSA-N 2 0 345.487 1.908 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000347499355 276198000 /nfs/dbraw/zinc/19/80/00/276198000.db2.gz KFEQXDJPJRYHMV-GOSISDBHSA-N 2 0 328.460 1.142 20 0 EDADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000337535852 276322355 /nfs/dbraw/zinc/32/23/55/276322355.db2.gz VVTYGUWDCJUWJM-HZPDHXFCSA-N 2 0 340.512 1.118 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000351815901 276327989 /nfs/dbraw/zinc/32/79/89/276327989.db2.gz STRPTJYHQVIWRV-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000363680756 276383643 /nfs/dbraw/zinc/38/36/43/276383643.db2.gz WMGBHTPORHNHEA-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548623 277151899 /nfs/dbraw/zinc/15/18/99/277151899.db2.gz DWLOPMVSVBWNMY-SZMVWBNQSA-N 2 0 335.492 1.573 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]2CCCC2)cc1 ZINC000262819063 277426592 /nfs/dbraw/zinc/42/65/92/277426592.db2.gz GQIHKMIFLTUTHO-DLBZAZTESA-N 2 0 335.448 1.312 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000271145525 277577989 /nfs/dbraw/zinc/57/79/89/277577989.db2.gz TUYDWQWWJVLUOH-KBPBESRZSA-N 2 0 325.478 1.435 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@H]1O ZINC000286520163 288025900 /nfs/dbraw/zinc/02/59/00/288025900.db2.gz NDFITUSCRVTQGZ-RTBURBONSA-N 2 0 345.487 1.744 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418624336 278547372 /nfs/dbraw/zinc/54/73/72/278547372.db2.gz YYFCDOLPLKWKHU-CVEARBPZSA-N 2 0 340.512 1.157 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417742601 278977375 /nfs/dbraw/zinc/97/73/75/278977375.db2.gz WCOMBVXUOBPBDH-KRWDZBQOSA-N 2 0 332.492 1.758 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000361719454 279110158 /nfs/dbraw/zinc/11/01/58/279110158.db2.gz TUVYGGQKLQWFOE-SFHVURJKSA-N 2 0 345.487 1.442 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000188697654 279280450 /nfs/dbraw/zinc/28/04/50/279280450.db2.gz HHMBTYFEHGNDLY-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417758065 279358563 /nfs/dbraw/zinc/35/85/63/279358563.db2.gz UPMQWUAOUGVEEJ-HNNXBMFYSA-N 2 0 327.517 1.077 20 0 EDADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000370122607 280129524 /nfs/dbraw/zinc/12/95/24/280129524.db2.gz OGRFJUFVTBYGLU-PKOBYXMFSA-N 2 0 349.519 1.964 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCC1 ZINC000361288021 280246098 /nfs/dbraw/zinc/24/60/98/280246098.db2.gz NSKMWYQLUMDNQM-ZACQAIPSSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000358831136 280247591 /nfs/dbraw/zinc/24/75/91/280247591.db2.gz PSBWPUONKSTFKZ-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418726374 280355940 /nfs/dbraw/zinc/35/59/40/280355940.db2.gz CRMJHYQYVAGIIE-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287525343 288257681 /nfs/dbraw/zinc/25/76/81/288257681.db2.gz DKOYWRSTVUDGRW-QGZVFWFLSA-N 2 0 342.491 1.946 20 0 EDADRP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766827 281187430 /nfs/dbraw/zinc/18/74/30/281187430.db2.gz OTQYUNDJPQOSJI-HOCLYGCPSA-N 2 0 346.479 1.292 20 0 EDADRP C[C@@H](C(=O)NC(N)=O)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291380680 289047434 /nfs/dbraw/zinc/04/74/34/289047434.db2.gz AZLLGUOUMHEGAK-HNNXBMFYSA-N 2 0 344.459 1.558 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@@H+]1C ZINC000345319952 289059030 /nfs/dbraw/zinc/05/90/30/289059030.db2.gz MQRSBGDLQGOEES-VQIMIIECSA-N 2 0 344.503 1.647 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000184576554 289277243 /nfs/dbraw/zinc/27/72/43/289277243.db2.gz QZARZYIYVPDBPB-IBGZPJMESA-N 2 0 344.503 1.576 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@@H]1C ZINC000364923597 290099727 /nfs/dbraw/zinc/09/97/27/290099727.db2.gz YDOSXUDNHSOCAU-HRCADAONSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000262367018 299909019 /nfs/dbraw/zinc/90/90/19/299909019.db2.gz VUEOCDREIQRZMZ-WMZOPIPTSA-N 2 0 347.507 1.589 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333884848 295247008 /nfs/dbraw/zinc/24/70/08/295247008.db2.gz WYJYMMDTKQHKHQ-VVLHAWIVSA-N 2 0 338.496 1.432 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000339495319 297268319 /nfs/dbraw/zinc/26/83/19/297268319.db2.gz WZEWVEHTPYXFTL-OLZOCXBDSA-N 2 0 338.496 1.011 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[NH2+]1 ZINC000418599096 304516828 /nfs/dbraw/zinc/51/68/28/304516828.db2.gz JIIBPORKBAUVTN-HZPDHXFCSA-N 3 0 327.517 1.042 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418607028 304518352 /nfs/dbraw/zinc/51/83/52/304518352.db2.gz ZXHHTWSRYVRYJD-RHSMWYFYSA-N 2 0 336.455 1.897 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422912390 298398165 /nfs/dbraw/zinc/39/81/65/298398165.db2.gz MZLZBLNZUDZKTO-OAHLLOKOSA-N 2 0 339.505 1.698 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCCCC[NH3+])c1ccccc1 ZINC000419651976 304650800 /nfs/dbraw/zinc/65/08/00/304650800.db2.gz PFHFPSCYFRTRFM-CQSZACIVSA-N 2 0 334.464 1.087 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419656076 304652231 /nfs/dbraw/zinc/65/22/31/304652231.db2.gz UQQJGLQEWUUCJF-GDBMZVCRSA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419733981 304674649 /nfs/dbraw/zinc/67/46/49/304674649.db2.gz URBWQRPYBHQEHB-CABCVRRESA-N 2 0 346.475 1.134 20 0 EDADRP COc1cc(C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)ccc1O ZINC000414753004 447322536 /nfs/dbraw/zinc/32/25/36/447322536.db2.gz VSWBSRVKQIHOFH-HNNXBMFYSA-N 2 0 347.459 1.563 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CC[NH2+]C[C@](C)(F)C2)CC1 ZINC000414766637 447324299 /nfs/dbraw/zinc/32/42/99/447324299.db2.gz IBSGILWAIUTUSY-IBGZPJMESA-N 2 0 334.483 1.962 20 0 EDADRP C[C@@H]1[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCCN1Cc1ccccc1 ZINC000294496363 303115934 /nfs/dbraw/zinc/11/59/34/303115934.db2.gz YBVLSUIZLGHQLH-NVXWUHKLSA-N 2 0 341.459 1.782 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CO2 ZINC000296485109 303320009 /nfs/dbraw/zinc/32/00/09/303320009.db2.gz PHABDAFKZWCGHJ-INIZCTEOSA-N 2 0 333.476 1.614 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC(C)(C)CCC[NH+](C)C ZINC000458377729 447334701 /nfs/dbraw/zinc/33/47/01/447334701.db2.gz WLFCPNKRNULELF-HNNXBMFYSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NCCC[NH+]3CCCC3)n2)CC1 ZINC000448599017 447333857 /nfs/dbraw/zinc/33/38/57/447333857.db2.gz XLZKPPNHGZRSDU-UHFFFAOYSA-N 2 0 331.464 1.049 20 0 EDADRP O[C@H](CN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCCC1 ZINC000422971627 304881951 /nfs/dbraw/zinc/88/19/51/304881951.db2.gz JIAOYUGVUKYKAQ-IMFGXOCKSA-N 2 0 345.487 1.679 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000423148239 304888600 /nfs/dbraw/zinc/88/86/00/304888600.db2.gz FMPGEJVGESCSIJ-UHFFFAOYSA-N 2 0 325.478 1.544 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccsc1 ZINC000423329697 304892534 /nfs/dbraw/zinc/89/25/34/304892534.db2.gz NDBAKPAGPXFUIT-HOTGVXAUSA-N 2 0 347.488 1.902 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CC1(C[NH3+])CC1 ZINC000423648711 304903307 /nfs/dbraw/zinc/90/33/07/304903307.db2.gz RSEHGMJVETXXJC-UHFFFAOYSA-N 2 0 325.403 1.984 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989012 305003079 /nfs/dbraw/zinc/00/30/79/305003079.db2.gz RDBCYUQXPHEJRM-PBHICJAKSA-N 2 0 343.537 1.511 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(c3ccncc3)CC2)CC1 ZINC000429528939 305031478 /nfs/dbraw/zinc/03/14/78/305031478.db2.gz LCJZUWYHSWLEKY-UHFFFAOYSA-N 2 0 330.476 1.862 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000430569045 305056176 /nfs/dbraw/zinc/05/61/76/305056176.db2.gz DOYWIESDDWSRMR-ZBFHGGJFSA-N 2 0 338.496 1.712 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1C[C@H]1C1CC1 ZINC000430574295 305056684 /nfs/dbraw/zinc/05/66/84/305056684.db2.gz NRYKJKYQAIIMAS-ZWKOTPCHSA-N 2 0 343.475 1.691 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000430576317 305056773 /nfs/dbraw/zinc/05/67/73/305056773.db2.gz BFHCJJWBQBGYGH-UHFFFAOYSA-N 2 0 325.403 1.903 20 0 EDADRP C[C@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430603955 305058079 /nfs/dbraw/zinc/05/80/79/305058079.db2.gz ZPAVFTXBFWMJJW-DOTOQJQBSA-N 2 0 325.497 1.853 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)[C@@H](C)C1 ZINC000430702921 305062899 /nfs/dbraw/zinc/06/28/99/305062899.db2.gz DEXMIPLHERFDDO-BBWFWOEESA-N 2 0 341.496 1.008 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccs1 ZINC000430809164 305065120 /nfs/dbraw/zinc/06/51/20/305065120.db2.gz GDWJHPWNMBDKFX-CKEIUWERSA-N 2 0 337.489 1.626 20 0 EDADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034224 305073303 /nfs/dbraw/zinc/07/33/03/305073303.db2.gz NJCSQKXEWDAOOT-OAHLLOKOSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@H]1CCCN(C(=O)C2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431071036 305074249 /nfs/dbraw/zinc/07/42/49/305074249.db2.gz SHRANPCEVIUZBP-ZDUSSCGKSA-N 2 0 349.479 1.734 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CN1CC[NH+](CC)CC1 ZINC000431559903 305079532 /nfs/dbraw/zinc/07/95/32/305079532.db2.gz XDUGRKSOOATKHX-ROUUACIJSA-N 2 0 338.540 1.641 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000433127665 305101243 /nfs/dbraw/zinc/10/12/43/305101243.db2.gz IQKWVWXLFIYOPD-UHFFFAOYSA-N 2 0 345.447 1.358 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1cccs1 ZINC000433408996 305108244 /nfs/dbraw/zinc/10/82/44/305108244.db2.gz IFBALRAFEKDCLX-CHWSQXEVSA-N 2 0 348.476 1.297 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433453803 305109450 /nfs/dbraw/zinc/10/94/50/305109450.db2.gz CHUXIWHFGXITRO-BRWVUGGUSA-N 2 0 340.512 1.469 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000435387061 305139492 /nfs/dbraw/zinc/13/94/92/305139492.db2.gz WRURUCVDOZXHQE-HOCLYGCPSA-N 2 0 349.475 1.769 20 0 EDADRP CC1=CC[NH+](CCNC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000436386524 305156517 /nfs/dbraw/zinc/15/65/17/305156517.db2.gz PLSBJVFZKQBGPW-MRXNPFEDSA-N 2 0 338.496 1.125 20 0 EDADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443066160 305234428 /nfs/dbraw/zinc/23/44/28/305234428.db2.gz DMZNDKDYDUBGNE-CABCVRRESA-N 2 0 349.475 1.942 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000444375911 305247485 /nfs/dbraw/zinc/24/74/85/305247485.db2.gz QWWZBMSSNNNSJX-LPHOPBHVSA-N 2 0 347.503 1.983 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000447566116 305282278 /nfs/dbraw/zinc/28/22/78/305282278.db2.gz QMBBUWYOMQZPSI-NALMEZQBSA-N 2 0 325.497 1.186 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000449243465 305309344 /nfs/dbraw/zinc/30/93/44/305309344.db2.gz KZSCHZZGKAGNNP-FXAWDEMLSA-N 2 0 331.504 1.738 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000449334544 305311904 /nfs/dbraw/zinc/31/19/04/305311904.db2.gz FHIYHZLSUDQPTC-DNVCBOLYSA-N 2 0 345.487 1.879 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414913019 447354525 /nfs/dbraw/zinc/35/45/25/447354525.db2.gz VNEQLMFODNXCOU-CQSZACIVSA-N 2 0 344.459 1.071 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCCO1)[C@@H](c1ccccc1)[NH+](C)C ZINC000516857098 305742873 /nfs/dbraw/zinc/74/28/73/305742873.db2.gz QWLCZGLFLWUVCR-UAGQMJEPSA-N 2 0 334.464 1.356 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000532390346 305982647 /nfs/dbraw/zinc/98/26/47/305982647.db2.gz IWZLBYAOKFPOCH-UHFFFAOYSA-N 2 0 340.512 1.395 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNCc1ccc(OCc2ccncc2)cc1 ZINC000414959467 447373948 /nfs/dbraw/zinc/37/39/48/447373948.db2.gz FQNBLBZQNMFZBZ-SFHVURJKSA-N 2 0 326.444 1.654 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045195470 440961301 /nfs/dbraw/zinc/96/13/01/440961301.db2.gz VPAXGJNHGPXVTA-UHFFFAOYSA-N 2 0 345.491 1.831 20 0 EDADRP C[NH+]1CCC(CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000103320319 441180511 /nfs/dbraw/zinc/18/05/11/441180511.db2.gz MRXSFXCJIUPPMY-UHFFFAOYSA-N 2 0 331.464 1.645 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC(O)CC1 ZINC000080565235 441180532 /nfs/dbraw/zinc/18/05/32/441180532.db2.gz UIQADMYDCVPAEU-CGZBRXJRSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000105112032 441234549 /nfs/dbraw/zinc/23/45/49/441234549.db2.gz ALYSWRMMOCGMDA-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000047683582 441219292 /nfs/dbraw/zinc/21/92/92/441219292.db2.gz GAJOTRXFYOIWAC-QGZVFWFLSA-N 2 0 342.528 1.761 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000105233345 441244454 /nfs/dbraw/zinc/24/44/54/441244454.db2.gz AZYSFVKTTZDPSV-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[C@@H]1O ZINC000081569027 441291340 /nfs/dbraw/zinc/29/13/40/441291340.db2.gz NDFITUSCRVTQGZ-MOPGFXCFSA-N 2 0 345.487 1.744 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](C)[NH+](CC)CC)CC1 ZINC000073653544 441339970 /nfs/dbraw/zinc/33/99/70/441339970.db2.gz IGXODDVCFCGUNO-IAGOWNOFSA-N 2 0 341.544 1.290 20 0 EDADRP COCC[N@H+](C)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000073288319 441307445 /nfs/dbraw/zinc/30/74/45/441307445.db2.gz MHAKKBTZZQYBRJ-UHFFFAOYSA-N 2 0 334.464 1.301 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000106539573 441353686 /nfs/dbraw/zinc/35/36/86/441353686.db2.gz OBXKVSKZUOQOOF-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959078 441428964 /nfs/dbraw/zinc/42/89/64/441428964.db2.gz OMPYKGZQNTVCHS-KRWDZBQOSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108618422 441469036 /nfs/dbraw/zinc/46/90/36/441469036.db2.gz WWLXSJMQQKWGPU-QGZVFWFLSA-N 2 0 344.459 1.287 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000074846665 441471758 /nfs/dbraw/zinc/47/17/58/441471758.db2.gz PEVABOYYEIOVAV-INIZCTEOSA-N 2 0 334.508 1.987 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000052867507 441482460 /nfs/dbraw/zinc/48/24/60/441482460.db2.gz LNKUVNMRDCNTTG-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000074676306 441456685 /nfs/dbraw/zinc/45/66/85/441456685.db2.gz JLSVLOCXPGOFKN-UHFFFAOYSA-N 2 0 338.540 1.591 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000089546918 441559039 /nfs/dbraw/zinc/55/90/39/441559039.db2.gz LVLYQDHWKVFEHQ-MNEFBYGVSA-N 2 0 345.487 1.807 20 0 EDADRP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCOCC1 ZINC000173673044 441820985 /nfs/dbraw/zinc/82/09/85/441820985.db2.gz KRCRAZYOHPOFLN-ZACQAIPSSA-N 2 0 340.512 1.467 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000077574200 441808283 /nfs/dbraw/zinc/80/82/83/441808283.db2.gz PGKQALGZJHMJAT-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@](C)(CO)C2CCCCC2)CC1 ZINC000077656303 441823603 /nfs/dbraw/zinc/82/36/03/441823603.db2.gz DXAWMENHQVCZHL-LJQANCHMSA-N 2 0 339.524 1.896 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@H+](C)CCCn1ccnc1 ZINC000124328189 441917948 /nfs/dbraw/zinc/91/79/48/441917948.db2.gz KIFHQQSWWLQQNV-UHFFFAOYSA-N 2 0 330.432 1.668 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000077838508 441876268 /nfs/dbraw/zinc/87/62/68/441876268.db2.gz RRGJIRCPYSKWHT-UHFFFAOYSA-N 2 0 340.512 1.399 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000079886202 442094065 /nfs/dbraw/zinc/09/40/65/442094065.db2.gz GYFMDPAUYNZWIP-NVXWUHKLSA-N 2 0 347.507 1.389 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1)C1CC1 ZINC000151486139 442069970 /nfs/dbraw/zinc/06/99/70/442069970.db2.gz ITRUMGDCEPZQNE-UHFFFAOYSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCC(C)CC1 ZINC000151512739 442076507 /nfs/dbraw/zinc/07/65/07/442076507.db2.gz YFLYHVYVONNNII-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000175736180 442113354 /nfs/dbraw/zinc/11/33/54/442113354.db2.gz OIQHQNRKZYKNQI-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000126658109 442130879 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Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000153788676 442303281 /nfs/dbraw/zinc/30/32/81/442303281.db2.gz MMXLJFCXBDTEQM-INIZCTEOSA-N 2 0 346.475 1.453 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CCCN(c2ccccn2)C1)[N@H+](C)C1CC1 ZINC000129163276 442304156 /nfs/dbraw/zinc/30/41/56/442304156.db2.gz BOZVKNPRFQAJAF-GJZGRUSLSA-N 2 0 331.464 1.832 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000171197692 442326030 /nfs/dbraw/zinc/32/60/30/442326030.db2.gz RXBQAMZTVWZJBY-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000171200913 442327027 /nfs/dbraw/zinc/32/70/27/442327027.db2.gz USRCNEDCDWQBEA-HOTGVXAUSA-N 2 0 342.528 1.620 20 0 EDADRP O=C(NCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(F)(F)F ZINC000154351562 442334010 /nfs/dbraw/zinc/33/40/10/442334010.db2.gz GGKVEKHXYMQTAD-UHFFFAOYSA-N 2 0 337.386 1.099 20 0 EDADRP COc1cc(CNC(=O)C[C@@H]2CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000130495944 442347500 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CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)CC1 ZINC000155673546 442418020 /nfs/dbraw/zinc/41/80/20/442418020.db2.gz KQOZUIMORUFDQP-GOSISDBHSA-N 2 0 340.475 1.479 20 0 EDADRP COc1cc(CNC(=O)C[C@@H]2CCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000178720282 442463651 /nfs/dbraw/zinc/46/36/51/442463651.db2.gz FJKFUYYDTMGJMO-HNNXBMFYSA-N 2 0 335.448 1.394 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000178728296 442465350 /nfs/dbraw/zinc/46/53/50/442465350.db2.gz QRFLHMWIPPMPGX-SFHVURJKSA-N 2 0 332.492 1.119 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134923631 442537304 /nfs/dbraw/zinc/53/73/04/442537304.db2.gz XZJGIPWLHHWFNQ-ZBFHGGJFSA-N 2 0 348.491 1.656 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[NH2+]C1 ZINC000178891902 442516984 /nfs/dbraw/zinc/51/69/84/442516984.db2.gz KEVISICKHHUDDO-HNNXBMFYSA-N 2 0 346.475 1.775 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000178891403 442516995 /nfs/dbraw/zinc/51/69/95/442516995.db2.gz KLAXBWYPEOKUDM-QGZVFWFLSA-N 2 0 346.475 1.393 20 0 EDADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000192721545 442680415 /nfs/dbraw/zinc/68/04/15/442680415.db2.gz GLNYXWJFCQDNGX-QGZVFWFLSA-N 2 0 345.553 1.302 20 0 EDADRP CC[NH+](CC)CCN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181365503 442692790 /nfs/dbraw/zinc/69/27/90/442692790.db2.gz UAJHLUWNLRQDQZ-SFHVURJKSA-N 2 0 326.529 1.055 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187840043 442694442 /nfs/dbraw/zinc/69/44/42/442694442.db2.gz ZTGATISOFODOEE-WMLDXEAASA-N 2 0 343.537 1.511 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000192534947 442659900 /nfs/dbraw/zinc/65/99/00/442659900.db2.gz RSZCYIVAXJHAFQ-KXBFYZLASA-N 2 0 331.460 1.478 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000187345456 442671086 /nfs/dbraw/zinc/67/10/86/442671086.db2.gz XSFMYUQELWSONG-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1(C)C ZINC000188202498 442723929 /nfs/dbraw/zinc/72/39/29/442723929.db2.gz AQGYYXFDCIZNGI-DAYGRLMNSA-N 2 0 325.497 1.613 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604894 442842546 /nfs/dbraw/zinc/84/25/46/442842546.db2.gz MQJKFHSGMSCXNX-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP CCN(CC)c1ccc(CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)cn1 ZINC000265649408 442863106 /nfs/dbraw/zinc/86/31/06/442863106.db2.gz XBQMZDXOJGZXCH-INIZCTEOSA-N 2 0 349.479 1.448 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194449989 442898311 /nfs/dbraw/zinc/89/83/11/442898311.db2.gz ADFBWDNPQLBQHO-GOSISDBHSA-N 2 0 348.491 1.122 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)/C=C/C[NH+](C)C)CC2)c1 ZINC000265629357 442853033 /nfs/dbraw/zinc/85/30/33/442853033.db2.gz JADXFBQERUMUFX-WEVVVXLNSA-N 2 0 344.503 1.741 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)ccn1 ZINC000183214582 442905377 /nfs/dbraw/zinc/90/53/77/442905377.db2.gz YAPSEFSNIJJYTO-MRXNPFEDSA-N 2 0 346.475 1.580 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000189450302 442957087 /nfs/dbraw/zinc/95/70/87/442957087.db2.gz ORYCRZWVJHKTOH-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP CN(c1ccccc1C[NH2+][C@@H]1CC(=O)N(C)C1)C1CC[NH+](C)CC1 ZINC000268362195 442961134 /nfs/dbraw/zinc/96/11/34/442961134.db2.gz PWWSXAWZLZWYKE-MRXNPFEDSA-N 2 0 330.476 1.537 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000195138870 442988696 /nfs/dbraw/zinc/98/86/96/442988696.db2.gz QIFVFNHZCKJORV-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP CN(CCC[NH2+]Cc1c(F)cncc1Br)CC[NH+](C)C ZINC000623087392 450398451 /nfs/dbraw/zinc/39/84/51/450398451.db2.gz PCPCQUHGFWCEAU-UHFFFAOYSA-N 2 0 347.276 1.956 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528088 443041566 /nfs/dbraw/zinc/04/15/66/443041566.db2.gz FBDFCCQEZIOYSW-WBVHZDCISA-N 2 0 347.507 1.552 20 0 EDADRP C[C@@H]1C[NH+](Cc2cccc(C[N@H+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@H]1CO ZINC000190853251 443196291 /nfs/dbraw/zinc/19/62/91/443196291.db2.gz HCPJAQPYWMIGPI-YKCBXCCJSA-N 2 0 332.488 1.807 20 0 EDADRP CCOc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])ccc1OC ZINC000261968560 443176640 /nfs/dbraw/zinc/17/66/40/443176640.db2.gz HYOAYOMSJKMXET-INIZCTEOSA-N 2 0 349.475 1.913 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000269222620 443238801 /nfs/dbraw/zinc/23/88/01/443238801.db2.gz ATYSSRXKWLTALV-IBGZPJMESA-N 2 0 345.487 1.578 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)Cc1ccccc1 ZINC000269223671 443238913 /nfs/dbraw/zinc/23/89/13/443238913.db2.gz BGULYBYSPCZDPU-MOPGFXCFSA-N 2 0 347.503 1.824 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453197 319134674 /nfs/dbraw/zinc/13/46/74/319134674.db2.gz PYOYQUIHPRDADJ-FPCVCCKLSA-N 2 0 341.496 1.941 20 0 EDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411785501 319203544 /nfs/dbraw/zinc/20/35/44/319203544.db2.gz CKRRDBUOYWFYSZ-XOKHGSTOSA-N 2 0 325.497 1.625 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)(N2CCOCC2)CC1 ZINC000414205287 319319668 /nfs/dbraw/zinc/31/96/68/319319668.db2.gz XHUUVUVALCAXAO-KZNAEPCWSA-N 2 0 349.519 1.330 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000414692323 319343521 /nfs/dbraw/zinc/34/35/21/319343521.db2.gz AUYFLPQIYUQGHL-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC([NH3+])CC3)c2)C1 ZINC000415087161 319346073 /nfs/dbraw/zinc/34/60/73/319346073.db2.gz KPNZVKPTSIOWMA-LMDPOFIKSA-N 3 0 344.503 1.743 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC[NH2+]1 ZINC000415085138 319346228 /nfs/dbraw/zinc/34/62/28/319346228.db2.gz QHXBCTSNQMYURT-ZACQAIPSSA-N 2 0 331.460 1.644 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415375002 319362103 /nfs/dbraw/zinc/36/21/03/319362103.db2.gz JPJITKAVDOMJKN-KRWDZBQOSA-N 2 0 344.459 1.479 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)Cc2ccccc2C1 ZINC000269269820 443259645 /nfs/dbraw/zinc/25/96/45/443259645.db2.gz RMCCREIUSBMKKD-IBGZPJMESA-N 2 0 337.467 1.772 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)ccc1C[NH+](C)C ZINC000415824325 319375095 /nfs/dbraw/zinc/37/50/95/319375095.db2.gz UXKCMDUWKLQFFB-QGZVFWFLSA-N 2 0 346.475 1.629 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000415961747 319385167 /nfs/dbraw/zinc/38/51/67/319385167.db2.gz WJWUWOVPXIGKPE-INIZCTEOSA-N 2 0 334.464 1.717 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000416166709 319396139 /nfs/dbraw/zinc/39/61/39/319396139.db2.gz NQGNEEMJOJCJCZ-GOSISDBHSA-N 2 0 331.460 1.224 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000246167906 443274655 /nfs/dbraw/zinc/27/46/55/443274655.db2.gz LBLSAAFROLZKNF-DLBZAZTESA-N 2 0 341.544 1.290 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000416436874 319425039 /nfs/dbraw/zinc/42/50/39/319425039.db2.gz KFMOBMUYHBQHLV-ZYHUDNBSSA-N 2 0 332.420 1.647 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)C2CC([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000416810999 319462301 /nfs/dbraw/zinc/46/23/01/319462301.db2.gz CFBKXQNKRMTENY-LEOMRAHMSA-N 2 0 346.475 1.963 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[NH+](C)C ZINC000269665957 443386805 /nfs/dbraw/zinc/38/68/05/443386805.db2.gz JGVYGNKWKPWTNK-WBVHZDCISA-N 2 0 333.480 1.747 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000419237871 319574620 /nfs/dbraw/zinc/57/46/20/319574620.db2.gz PCTPDWDNNMDHEE-ZBFHGGJFSA-N 2 0 338.496 1.095 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000423317283 319763712 /nfs/dbraw/zinc/76/37/12/319763712.db2.gz KFTBFNJZOKEXTK-OAHLLOKOSA-N 2 0 345.491 1.967 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CCOCC1)c1ccccc1 ZINC000423435173 319774814 /nfs/dbraw/zinc/77/48/14/319774814.db2.gz SHVBNMZLPAFYLX-VPWXQRGCSA-N 2 0 343.471 1.755 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000423758766 319811348 /nfs/dbraw/zinc/81/13/48/319811348.db2.gz NMOINSWBULIORW-IBGZPJMESA-N 2 0 338.455 1.905 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423833942 319820903 /nfs/dbraw/zinc/82/09/03/319820903.db2.gz GHNZCTOKDUFBIE-NVXWUHKLSA-N 2 0 325.497 1.853 20 0 EDADRP O=C(NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)C12CCC[NH+]1CCC2 ZINC000279368393 443565979 /nfs/dbraw/zinc/56/59/79/443565979.db2.gz LHARLKKNIAYSSR-GOSISDBHSA-N 2 0 343.471 1.150 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CC[C@H](Cc3ccc(F)cc3)C2)CC1 ZINC000283326182 443602333 /nfs/dbraw/zinc/60/23/33/443602333.db2.gz ZZDYLGDXPXHADE-QGZVFWFLSA-N 2 0 333.451 1.854 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C[C@@H](C)O1 ZINC000444272055 320124189 /nfs/dbraw/zinc/12/41/89/320124189.db2.gz WBLVUGMTXBLDQY-HBXLWWENSA-N 2 0 349.519 1.724 20 0 EDADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]1 ZINC000444272870 320124369 /nfs/dbraw/zinc/12/43/69/320124369.db2.gz YWTLNERIAMSOSN-GOSISDBHSA-N 2 0 331.460 1.536 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCc2ccccc2C)CC1 ZINC000451985778 320240253 /nfs/dbraw/zinc/24/02/53/320240253.db2.gz MTGSODFWHBJQJH-UHFFFAOYSA-N 2 0 346.519 1.617 20 0 EDADRP C[C@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@H+](C)CC1 ZINC000276239352 443674330 /nfs/dbraw/zinc/67/43/30/443674330.db2.gz YGDDJBQTKCWYHV-AWEZNQCLSA-N 2 0 344.459 1.453 20 0 EDADRP Cn1cnc(CCNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1 ZINC000457456370 320326541 /nfs/dbraw/zinc/32/65/41/320326541.db2.gz KFWALCXBZWNMCA-HNNXBMFYSA-N 2 0 331.420 1.692 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCCC[C@H]1C ZINC000457725712 320333594 /nfs/dbraw/zinc/33/35/94/320333594.db2.gz ZJIAOAVRGCARGS-IXDOHACOSA-N 2 0 340.512 1.395 20 0 EDADRP Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)cc(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000291527477 443760133 /nfs/dbraw/zinc/76/01/33/443760133.db2.gz SSIQBFKBYGWOTA-HUUCEWRRSA-N 2 0 348.491 1.355 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000529343749 320574945 /nfs/dbraw/zinc/57/49/45/320574945.db2.gz WHTGPQJVURWNTB-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP CCCNC(=O)c1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000531357882 320656678 /nfs/dbraw/zinc/65/66/78/320656678.db2.gz KGSRZGWAWSUDQT-UHFFFAOYSA-N 2 0 348.491 1.392 20 0 EDADRP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccnc1 ZINC000531439269 320660570 /nfs/dbraw/zinc/66/05/70/320660570.db2.gz SMJLOHNHLZHIBK-SFHVURJKSA-N 2 0 349.523 1.956 20 0 EDADRP CC[NH+]1CCC(NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000298934659 443906451 /nfs/dbraw/zinc/90/64/51/443906451.db2.gz NRAVBWPZYJUFIS-SFHVURJKSA-N 2 0 332.492 1.943 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563209813 321100313 /nfs/dbraw/zinc/10/03/13/321100313.db2.gz ZNHKASWAZYBADQ-IRXDYDNUSA-N 2 0 332.492 1.831 20 0 EDADRP CSCc1cc(F)ccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000563953131 321117552 /nfs/dbraw/zinc/11/75/52/321117552.db2.gz ZQTMTFJEROQIPU-KRWDZBQOSA-N 2 0 341.496 1.387 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000564695885 321142290 /nfs/dbraw/zinc/14/22/90/321142290.db2.gz GKNVWVSAOWDKPS-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000565039729 321165515 /nfs/dbraw/zinc/16/55/15/321165515.db2.gz BSGNMMWHEXOXDM-QAPCUYQASA-N 2 0 330.476 1.761 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000565357413 321182824 /nfs/dbraw/zinc/18/28/24/321182824.db2.gz SZBZMZUPAREJMX-CRAIPNDOSA-N 2 0 330.476 1.820 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567804670 321258648 /nfs/dbraw/zinc/25/86/48/321258648.db2.gz SMNKBFPDDZGWCK-QUCCMNQESA-N 2 0 345.487 1.127 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000567841444 321261509 /nfs/dbraw/zinc/26/15/09/321261509.db2.gz CUIHOXLCKFLIGD-SQNIBIBYSA-N 2 0 331.460 1.474 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000568608218 321298951 /nfs/dbraw/zinc/29/89/51/321298951.db2.gz UKCGTAFLRAVZKW-QRQLOZEOSA-N 2 0 344.503 1.848 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2C(F)(F)F)CC1 ZINC000570081482 321337002 /nfs/dbraw/zinc/33/70/02/321337002.db2.gz AZOZXOYAVMRAKX-CQSZACIVSA-N 2 0 331.382 1.403 20 0 EDADRP CN1CCN(C(=O)NCc2nc(C(C)(C)C)cs2)[C@H](C[NH3+])C1 ZINC000570547802 321347039 /nfs/dbraw/zinc/34/70/39/321347039.db2.gz QZHJFCZRRPEZSK-LLVKDONJSA-N 2 0 325.482 1.225 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000570616759 321350025 /nfs/dbraw/zinc/35/00/25/321350025.db2.gz HKEBMVUXHZKKAO-CVEARBPZSA-N 2 0 325.497 1.555 20 0 EDADRP CCNC(=O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000299700464 444119578 /nfs/dbraw/zinc/11/95/78/444119578.db2.gz OYLWXZHWZHTMOE-AWEZNQCLSA-N 2 0 336.455 1.754 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCC2)ccc1C[NH+](C)C ZINC000571263122 321380844 /nfs/dbraw/zinc/38/08/44/321380844.db2.gz JQYSUMMBLYWXNX-HNNXBMFYSA-N 2 0 346.475 1.596 20 0 EDADRP CC[C@H](C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[NH+](C)C ZINC000571264467 321380984 /nfs/dbraw/zinc/38/09/84/321380984.db2.gz ZNZJHUVYAKDHDA-ZWKOTPCHSA-N 2 0 332.492 1.432 20 0 EDADRP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCNC1=O ZINC000289417402 444137287 /nfs/dbraw/zinc/13/72/87/444137287.db2.gz MIXRSFKNTOIVCM-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(N)=O)cc1 ZINC000289447046 444146380 /nfs/dbraw/zinc/14/63/80/444146380.db2.gz MRRPMCOSRUQJDN-GOSISDBHSA-N 2 0 332.492 1.633 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000289885320 444215137 /nfs/dbraw/zinc/21/51/37/444215137.db2.gz STXSXSMQTWNUEP-RBUKOAKNSA-N 2 0 342.487 1.116 20 0 EDADRP COC(=O)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000290152779 444248644 /nfs/dbraw/zinc/24/86/44/444248644.db2.gz LELUGUGHBPUBTG-QFBILLFUSA-N 2 0 345.487 1.876 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc(N3CCSCC3)ncn2)C1 ZINC000302828088 444226254 /nfs/dbraw/zinc/22/62/54/444226254.db2.gz IIWTXMOJJDTEGS-CABCVRRESA-N 2 0 333.505 1.950 20 0 EDADRP C[C@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000296432063 444229247 /nfs/dbraw/zinc/22/92/47/444229247.db2.gz SXUINZBXHHEVKZ-INIZCTEOSA-N 2 0 347.463 1.024 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)c2cc(N3CCCC3)ncn2)CC1 ZINC000302919698 444231678 /nfs/dbraw/zinc/23/16/78/444231678.db2.gz YQWVLWJWGDSCFW-HNNXBMFYSA-N 2 0 333.480 1.606 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000290037479 444233883 /nfs/dbraw/zinc/23/38/83/444233883.db2.gz GKFMBWOOQVMUKS-DLBZAZTESA-N 2 0 345.491 1.939 20 0 EDADRP CCN(CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000316447827 444310883 /nfs/dbraw/zinc/31/08/83/444310883.db2.gz FWQSOKDBVBAPKU-OWCLPIDISA-N 2 0 331.526 1.558 20 0 EDADRP CC(C)CCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324949922 444360712 /nfs/dbraw/zinc/36/07/12/444360712.db2.gz GOMQLDFMCRQPDW-CVEARBPZSA-N 2 0 340.512 1.104 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000578765317 321828341 /nfs/dbraw/zinc/82/83/41/321828341.db2.gz SJYMZTISJBRPDK-SFHVURJKSA-N 2 0 343.471 1.635 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)c2ccccc2)CC1 ZINC000578850020 321840098 /nfs/dbraw/zinc/84/00/98/321840098.db2.gz YUGBYBJLTARUQR-MSOLQXFVSA-N 2 0 345.491 1.012 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3c(O)cccc32)CC1 ZINC000340478069 444394353 /nfs/dbraw/zinc/39/43/53/444394353.db2.gz ZORDGUQTKXVAIG-IBGZPJMESA-N 2 0 347.503 1.749 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331212403 444446327 /nfs/dbraw/zinc/44/63/27/444446327.db2.gz ZPNNVCLVFNKKBE-OAHLLOKOSA-N 2 0 339.505 1.901 20 0 EDADRP CC[NH2+]CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000579812597 321972733 /nfs/dbraw/zinc/97/27/33/321972733.db2.gz LVFCRWMIMRCVKV-CQSZACIVSA-N 2 0 328.254 1.739 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000579942169 321988229 /nfs/dbraw/zinc/98/82/29/321988229.db2.gz GXNTUOYCSJHZPN-HGQUKEQDSA-N 2 0 345.443 1.713 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000338047535 444498295 /nfs/dbraw/zinc/49/82/95/444498295.db2.gz QUPMDOZQKAYKQN-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCSC1 ZINC000580290928 322031281 /nfs/dbraw/zinc/03/12/81/322031281.db2.gz RLQGUPLEYCSHDD-KRWDZBQOSA-N 2 0 334.489 1.891 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000580573922 322070710 /nfs/dbraw/zinc/07/07/10/322070710.db2.gz SIYLAXFRRVKRCB-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000581020452 322125635 /nfs/dbraw/zinc/12/56/35/322125635.db2.gz JWFBPOIPEKYGAM-MRXNPFEDSA-N 2 0 330.476 1.714 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000581189193 322147354 /nfs/dbraw/zinc/14/73/54/322147354.db2.gz AJRDNFWZCVDQFU-MSOLQXFVSA-N 2 0 330.476 1.313 20 0 EDADRP O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)C1 ZINC000581304663 322161459 /nfs/dbraw/zinc/16/14/59/322161459.db2.gz WINVWPIWROPICU-UONOGXRCSA-N 2 0 343.518 1.490 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000581365032 322168593 /nfs/dbraw/zinc/16/85/93/322168593.db2.gz AGLMEDBVWDJFKL-SJORKVTESA-N 2 0 328.497 1.501 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000581381594 322171488 /nfs/dbraw/zinc/17/14/88/322171488.db2.gz NPJARAAXFUSPQM-HNNXBMFYSA-N 2 0 332.448 1.320 20 0 EDADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601872 322197639 /nfs/dbraw/zinc/19/76/39/322197639.db2.gz QGUJDPRJSQIQFC-IWKCEXAMSA-N 2 0 332.444 1.883 20 0 EDADRP CC[NH2+]CCCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000581656772 322204264 /nfs/dbraw/zinc/20/42/64/322204264.db2.gz OIPYRQDWAKWAIE-UHFFFAOYSA-N 2 0 348.491 1.442 20 0 EDADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000581997044 322242086 /nfs/dbraw/zinc/24/20/86/322242086.db2.gz KBRMKLZUJIJYCX-KBPBESRZSA-N 2 0 335.448 1.217 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338209033 444564316 /nfs/dbraw/zinc/56/43/16/444564316.db2.gz UJOFWWIMZLOAHF-PXNSSMCTSA-N 2 0 339.487 1.986 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000332862758 444576818 /nfs/dbraw/zinc/57/68/18/444576818.db2.gz XNOBURBZEPWFQV-QRVBRYPASA-N 2 0 349.519 1.745 20 0 EDADRP CN1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2ccccc2C1 ZINC000343775099 444581627 /nfs/dbraw/zinc/58/16/27/444581627.db2.gz UIUOOSLSEJFNTP-MQVJKMGUSA-N 2 0 327.428 1.280 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000340956077 444596334 /nfs/dbraw/zinc/59/63/34/444596334.db2.gz QXJNGHMSAKGWDG-DOTOQJQBSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000343819583 444609416 /nfs/dbraw/zinc/60/94/16/444609416.db2.gz JKGWSNPXRJKLKN-QRQLOZEOSA-N 2 0 342.487 1.156 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000332979153 444619751 /nfs/dbraw/zinc/61/97/51/444619751.db2.gz KNSWQUMXAYKBOE-IRXDYDNUSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919647 444668548 /nfs/dbraw/zinc/66/85/48/444668548.db2.gz GXELZUDWBDMLJE-KZNAEPCWSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919843 444669695 /nfs/dbraw/zinc/66/96/95/444669695.db2.gz IDFLXYCQGFHSEQ-MAUKXSAKSA-N 2 0 334.508 1.288 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000333440287 444671213 /nfs/dbraw/zinc/67/12/13/444671213.db2.gz VZKJZMRUPMQYPC-LBZRDPAVSA-N 2 0 334.508 1.922 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000333466930 444673642 /nfs/dbraw/zinc/67/36/42/444673642.db2.gz ACACAXNPXMQJFX-RFZNHBKKSA-N 2 0 342.487 1.886 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN(CC[NH3+])Cc2ccccc2)CC1 ZINC000342396100 444674096 /nfs/dbraw/zinc/67/40/96/444674096.db2.gz DBOMBQAHODCLPR-UHFFFAOYSA-N 2 0 332.492 1.436 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341112837 444680224 /nfs/dbraw/zinc/68/02/24/444680224.db2.gz CANVZADKIOZKLD-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021312 444636471 /nfs/dbraw/zinc/63/64/71/444636471.db2.gz SUQNUEARYRYIGV-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCCC[NH2+]C2)CCC[N@@H+]1C ZINC000333828961 444701490 /nfs/dbraw/zinc/70/14/90/444701490.db2.gz SMDJDYRTXDQCMH-ZMSDIMECSA-N 2 0 348.495 1.244 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000333903724 444713753 /nfs/dbraw/zinc/71/37/53/444713753.db2.gz CBDUPRQAIGSTLF-HCXYKTFWSA-N 2 0 342.487 1.997 20 0 EDADRP COC(=O)COc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000341124265 444685406 /nfs/dbraw/zinc/68/54/06/444685406.db2.gz ASCYVDAOGKBZMM-KRWDZBQOSA-N 2 0 348.443 1.393 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549509 444740471 /nfs/dbraw/zinc/74/04/71/444740471.db2.gz WFSMBROGYNHIKH-CXAGYDPISA-N 2 0 348.491 1.817 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCOC1 ZINC000341230811 444740725 /nfs/dbraw/zinc/74/07/25/444740725.db2.gz AQRIDVUVBBYMTE-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@@H](O)C[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000341217161 444734482 /nfs/dbraw/zinc/73/44/82/444734482.db2.gz RSQONTBVJRQSBT-HZPDHXFCSA-N 2 0 349.479 1.052 20 0 EDADRP COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336719744 444796216 /nfs/dbraw/zinc/79/62/16/444796216.db2.gz RTWBHQMOHHFQTK-JENIJYKNSA-N 2 0 332.444 1.364 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000336879324 444826975 /nfs/dbraw/zinc/82/69/75/444826975.db2.gz MFSYJHSTNCPUOW-UHFFFAOYSA-N 2 0 333.524 1.990 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2cccc(F)c2F)CC1 ZINC000342713442 444830171 /nfs/dbraw/zinc/83/01/71/444830171.db2.gz AYFSYMLSRSGVIM-UHFFFAOYSA-N 2 0 339.430 1.897 20 0 EDADRP COC(=O)[C@@H](C)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000338939721 444945895 /nfs/dbraw/zinc/94/58/95/444945895.db2.gz OXUKCEQKZTZIRL-ZDUSSCGKSA-N 2 0 337.464 1.003 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)Cc2cn(-c3cc[nH+]cc3)nc2C)[N@H+](C)C1 ZINC000344508766 445022417 /nfs/dbraw/zinc/02/24/17/445022417.db2.gz ZDJGYCJTLPBURX-ZWKOTPCHSA-N 2 0 329.448 1.727 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341772553 444994636 /nfs/dbraw/zinc/99/46/36/444994636.db2.gz XEOTUCDTTFXFND-IEBWSBKVSA-N 2 0 344.503 1.118 20 0 EDADRP CN(CCC[NH+]1CCCC1)C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000337279422 445013639 /nfs/dbraw/zinc/01/36/39/445013639.db2.gz UEXIDOQLTTZHMH-OAHLLOKOSA-N 2 0 336.432 1.573 20 0 EDADRP O[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067290 445016873 /nfs/dbraw/zinc/01/68/73/445016873.db2.gz FYWSHHJMEZDIRV-ZCNNSNEGSA-N 2 0 329.488 1.840 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000344616501 445088111 /nfs/dbraw/zinc/08/81/11/445088111.db2.gz NKEGVLJSGXLFPZ-IAGOWNOFSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(OC)c1 ZINC000337447385 445085534 /nfs/dbraw/zinc/08/55/34/445085534.db2.gz QVXICQZOFJVJKG-QGZVFWFLSA-N 2 0 348.491 1.887 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000339201534 445086726 /nfs/dbraw/zinc/08/67/26/445086726.db2.gz OKUBTFZTYJRZBK-YESZJQIVSA-N 2 0 326.481 1.935 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000337340276 445039537 /nfs/dbraw/zinc/03/95/37/445039537.db2.gz SOAPJNWKMPAGLI-ROUUACIJSA-N 2 0 336.524 1.489 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430339 445138519 /nfs/dbraw/zinc/13/85/19/445138519.db2.gz UUIIFKGNOBMUOZ-LJQANCHMSA-N 2 0 344.459 1.532 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)CC[NH+](C)C)c1ccccc1 ZINC000343154087 445101016 /nfs/dbraw/zinc/10/10/16/445101016.db2.gz PAOUWYXGMSJGLD-HNNXBMFYSA-N 2 0 348.491 1.252 20 0 EDADRP CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1)C1CC1 ZINC000337516441 445115390 /nfs/dbraw/zinc/11/53/90/445115390.db2.gz QIYTXICXSAMAOW-UHFFFAOYSA-N 2 0 333.480 1.639 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000342097208 445170663 /nfs/dbraw/zinc/17/06/63/445170663.db2.gz SLJDCEVGMGCZKH-MAUKXSAKSA-N 2 0 330.476 1.570 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342116763 445181215 /nfs/dbraw/zinc/18/12/15/445181215.db2.gz YQXFDBIRBSEJDZ-NUEKZKHPSA-N 2 0 330.432 1.173 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342079961 445160333 /nfs/dbraw/zinc/16/03/33/445160333.db2.gz FKTDUTLEHAMLKL-UHOSZYNNSA-N 2 0 345.487 1.939 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343407668 445216991 /nfs/dbraw/zinc/21/69/91/445216991.db2.gz PTVVCKCANMKBJI-PKOBYXMFSA-N 2 0 349.523 1.361 20 0 EDADRP C[C@H]1COCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000345734720 445197757 /nfs/dbraw/zinc/19/77/57/445197757.db2.gz AWZLVXJRNKBCME-WMZOPIPTSA-N 2 0 346.475 1.383 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000345765211 445198886 /nfs/dbraw/zinc/19/88/86/445198886.db2.gz YYZXYJTVFSYYJG-UXLLHSPISA-N 2 0 340.512 1.203 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346704899 445224161 /nfs/dbraw/zinc/22/41/61/445224161.db2.gz ZKMYCUYWJVXOJD-IPMKNSEASA-N 2 0 345.487 1.829 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343581995 445250301 /nfs/dbraw/zinc/25/03/01/445250301.db2.gz QULPBJWJJFROHX-AEFFLSMTSA-N 2 0 330.476 1.013 20 0 EDADRP C[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343582635 445251229 /nfs/dbraw/zinc/25/12/29/445251229.db2.gz QULPBJWJJFROHX-SJLPKXTDSA-N 2 0 330.476 1.013 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)[N@H+](C)C1 ZINC000347888140 445254078 /nfs/dbraw/zinc/25/40/78/445254078.db2.gz LZFNONVGBGEBGN-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000348002956 445260672 /nfs/dbraw/zinc/26/06/72/445260672.db2.gz KRCCTVNBJYYMPM-KURKYZTESA-N 2 0 335.492 1.573 20 0 EDADRP C[C@H]([NH2+][C@@H]1COC[C@@H]1n1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348516170 445310666 /nfs/dbraw/zinc/31/06/66/445310666.db2.gz QANHKAZBLZYSDO-KANFNMMFSA-N 2 0 341.459 1.718 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343645049 445279041 /nfs/dbraw/zinc/27/90/41/445279041.db2.gz RJMXJINQOWIGPT-LPHOPBHVSA-N 2 0 326.444 1.640 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000351898966 445361931 /nfs/dbraw/zinc/36/19/31/445361931.db2.gz LTOWHNABTPHFJT-SJORKVTESA-N 2 0 342.528 1.595 20 0 EDADRP Cc1cc(NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)ncn1 ZINC000359664864 445364097 /nfs/dbraw/zinc/36/40/97/445364097.db2.gz ZKHIGQVTADDAJB-STQMWFEESA-N 2 0 331.399 1.670 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351805408 445327303 /nfs/dbraw/zinc/32/73/03/445327303.db2.gz BXKMQCSXRXGVKD-QFBILLFUSA-N 2 0 345.487 1.388 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2Cc1cnn(CC(F)F)c1 ZINC000351807059 445327941 /nfs/dbraw/zinc/32/79/41/445327941.db2.gz GQMRELZIQIPCKR-QLFBSQMISA-N 2 0 328.407 1.832 20 0 EDADRP CCCCNC(=O)CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348838094 445409265 /nfs/dbraw/zinc/40/92/65/445409265.db2.gz MCYJRLWTORCFGZ-UHFFFAOYSA-N 2 0 338.540 1.642 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCO[C@@H]2CCCC[C@H]21 ZINC000357086910 445418615 /nfs/dbraw/zinc/41/86/15/445418615.db2.gz RRAJJCQWNRABQX-KZNAEPCWSA-N 2 0 335.492 1.478 20 0 EDADRP NC(=O)c1csc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000359883664 445473911 /nfs/dbraw/zinc/47/39/11/445473911.db2.gz XDBWLPVURNPGDO-UHFFFAOYSA-N 2 0 337.489 1.781 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355089725 445441989 /nfs/dbraw/zinc/44/19/89/445441989.db2.gz SBTITXUMEGKJKK-NUJGCVRESA-N 2 0 332.492 1.430 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000352056404 445463080 /nfs/dbraw/zinc/46/30/80/445463080.db2.gz CDZIFWCJJJQTNQ-DOTOQJQBSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260402 445513548 /nfs/dbraw/zinc/51/35/48/445513548.db2.gz VWPNKQDVZNMKNT-XHSDSOJGSA-N 2 0 337.508 1.580 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000355902217 445524401 /nfs/dbraw/zinc/52/44/01/445524401.db2.gz PONBYAKQVBGHBK-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP COc1ccccc1[C@H](N)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349045577 445486234 /nfs/dbraw/zinc/48/62/34/445486234.db2.gz FDQSYNHKKUVVKI-PXAZEXFGSA-N 2 0 326.400 1.545 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)ccn2)CC1 ZINC000352094597 445489188 /nfs/dbraw/zinc/48/91/88/445489188.db2.gz CXZKXEBRIHQVFZ-IAGOWNOFSA-N 2 0 343.475 1.190 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc(CO)c1 ZINC000362696317 445504439 /nfs/dbraw/zinc/50/44/39/445504439.db2.gz XYRZXMNILRCXPP-GOSISDBHSA-N 2 0 333.476 1.667 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC1 ZINC000360100376 445567010 /nfs/dbraw/zinc/56/70/10/445567010.db2.gz XWSFWKWVQVNWPP-QGZVFWFLSA-N 2 0 348.491 1.479 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357747518 445579441 /nfs/dbraw/zinc/57/94/41/445579441.db2.gz MDJASMLEXKZEMS-OAHLLOKOSA-N 2 0 342.528 1.904 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000349217561 445538156 /nfs/dbraw/zinc/53/81/56/445538156.db2.gz RARHWPKSQFSZCS-IBGZPJMESA-N 2 0 341.540 1.653 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000362778471 445545686 /nfs/dbraw/zinc/54/56/86/445545686.db2.gz SIACODIBIMPHGB-OXJNMPFZSA-N 2 0 344.503 1.142 20 0 EDADRP CC(C)CNC(=O)CN1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000362910185 445606873 /nfs/dbraw/zinc/60/68/73/445606873.db2.gz GEGJTUTXRYPNDV-IYBDPMFKSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000356057808 445595124 /nfs/dbraw/zinc/59/51/24/445595124.db2.gz CENOIXNYVSDJLW-DOTOQJQBSA-N 2 0 332.448 1.135 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360393424 445704930 /nfs/dbraw/zinc/70/49/30/445704930.db2.gz CCCGELUQMLXBFZ-HLLBOEOZSA-N 2 0 342.553 1.843 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000353698944 445714688 /nfs/dbraw/zinc/71/46/88/445714688.db2.gz ZTFBCWQQWZZETE-UHFFFAOYSA-N 2 0 335.452 1.262 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000349760463 445670290 /nfs/dbraw/zinc/67/02/90/445670290.db2.gz XAMQVWXKOUUEQO-DLBZAZTESA-N 2 0 341.544 1.288 20 0 EDADRP C[N@H+](CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CCCCC1 ZINC000358698560 445724893 /nfs/dbraw/zinc/72/48/93/445724893.db2.gz XHCZJOGMWYLHPH-QGZVFWFLSA-N 2 0 326.485 1.007 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000350415707 445825664 /nfs/dbraw/zinc/82/56/64/445825664.db2.gz PRRZCFXBLZAMRF-GOSISDBHSA-N 2 0 330.476 1.856 20 0 EDADRP CC[C@H](C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000363496326 445831674 /nfs/dbraw/zinc/83/16/74/445831674.db2.gz OMQWHRWIWYXZIR-QZTJIDSGSA-N 2 0 332.492 1.432 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353911848 445810261 /nfs/dbraw/zinc/81/02/61/445810261.db2.gz GSSGXWWJRIOAAC-QBPKDAKJSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361611973 445847679 /nfs/dbraw/zinc/84/76/79/445847679.db2.gz VFMGNSAYMKMTER-UHFFFAOYSA-N 2 0 328.416 1.411 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3c(c2)nnn3C)C1 ZINC000354087599 445893933 /nfs/dbraw/zinc/89/39/33/445893933.db2.gz CYKHJKSQRTWOTR-INIZCTEOSA-N 2 0 331.464 1.901 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364644241 445942132 /nfs/dbraw/zinc/94/21/32/445942132.db2.gz ZHKUNEUPFZSQPB-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP COC(=O)C[C@@]1([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCOC1 ZINC000361741583 445908623 /nfs/dbraw/zinc/90/86/23/445908623.db2.gz XXDXFZLCKQDRAA-KRWDZBQOSA-N 2 0 330.388 1.388 20 0 EDADRP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000372908276 445915568 /nfs/dbraw/zinc/91/55/68/445915568.db2.gz SQOZZLMMHVMFGR-BPQIPLTHSA-N 2 0 331.460 1.659 20 0 EDADRP CN(C[C@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373010110 445972903 /nfs/dbraw/zinc/97/29/03/445972903.db2.gz BGPQXXNLXIKBIA-XLIONFOSSA-N 2 0 344.455 1.651 20 0 EDADRP COc1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)n1 ZINC000369195850 445984925 /nfs/dbraw/zinc/98/49/25/445984925.db2.gz WHTHBENLVMRIOZ-UHFFFAOYSA-N 2 0 334.464 1.728 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)[NH+]1CCO ZINC000365106632 446028116 /nfs/dbraw/zinc/02/81/16/446028116.db2.gz DVDHZKURCFXWLP-OAGGEKHMSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000582963195 325969197 /nfs/dbraw/zinc/96/91/97/325969197.db2.gz ORCGOGFSLGFUFN-JKSUJKDBSA-N 2 0 340.512 1.694 20 0 EDADRP O=C(Nc1ccc(F)cc1)NC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000583204155 326025956 /nfs/dbraw/zinc/02/59/56/326025956.db2.gz FIRJGMNIUBDKLT-UHFFFAOYSA-N 2 0 349.454 1.317 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC[C@H]1c1ccc(F)cc1 ZINC000584052324 326190654 /nfs/dbraw/zinc/19/06/54/326190654.db2.gz DCTYGAAFFXBRPN-GVDBMIGSSA-N 2 0 331.435 1.859 20 0 EDADRP C[C@@H](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000584112368 326202157 /nfs/dbraw/zinc/20/21/57/326202157.db2.gz HOHWPHMAWOGQBK-KNXWPPODSA-N 2 0 336.524 1.345 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000359249140 446082738 /nfs/dbraw/zinc/08/27/38/446082738.db2.gz IMOCEGFCSHACCR-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000369654233 446139802 /nfs/dbraw/zinc/13/98/02/446139802.db2.gz KRBVPULYFIJLGX-HOCLYGCPSA-N 2 0 348.495 2.096 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@@H](C)C1 ZINC000369654414 446140122 /nfs/dbraw/zinc/14/01/22/446140122.db2.gz LIVCSTXTOOFYHB-HOCLYGCPSA-N 2 0 348.495 2.000 20 0 EDADRP C[C@H](CNc1ccnc(N(C)C)n1)[NH+]1CCN(c2ccccc2)CC1 ZINC000354313415 446105048 /nfs/dbraw/zinc/10/50/48/446105048.db2.gz WVGBZXXERPIQQK-MRXNPFEDSA-N 2 0 340.475 2.165 20 0 EDADRP CN(C[C@H]1CCn2ccnc2C1)C(=O)NCCN1CCOCC1(C)C ZINC000369889931 446164747 /nfs/dbraw/zinc/16/47/47/446164747.db2.gz VJYMMZOSFWEFGB-HNNXBMFYSA-N 2 0 349.479 1.198 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000365403511 446191070 /nfs/dbraw/zinc/19/10/70/446191070.db2.gz NICJEBJIBPFWIV-OWCLPIDISA-N 2 0 338.496 1.807 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[NH2+]C3)[C@H](C)C2)s1 ZINC000366325266 446152470 /nfs/dbraw/zinc/15/24/70/446152470.db2.gz PCZLZCANYHAQBP-XPKDYRNWSA-N 2 0 336.505 1.778 20 0 EDADRP CC[N@H+](CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1)C1CC1 ZINC000365534460 446244028 /nfs/dbraw/zinc/24/40/28/446244028.db2.gz FKUOXTBGLREUNL-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000365498340 446231431 /nfs/dbraw/zinc/23/14/31/446231431.db2.gz NDUCXLMZNRZCQH-ZACQAIPSSA-N 2 0 338.496 1.365 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)C1CCCC1 ZINC000365538975 446246639 /nfs/dbraw/zinc/24/66/39/446246639.db2.gz OFFPHSKXIIWPBT-SZMVWBNQSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366552701 446259444 /nfs/dbraw/zinc/25/94/44/446259444.db2.gz DJQSCOUWIUGNJR-DJIMGWMZSA-N 2 0 336.480 1.118 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000366554097 446260284 /nfs/dbraw/zinc/26/02/84/446260284.db2.gz WAZDUNCYNQTELC-UHFFFAOYSA-N 2 0 328.460 1.985 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccco1 ZINC000359548562 446285748 /nfs/dbraw/zinc/28/57/48/446285748.db2.gz UWWUTUSEWYRQJZ-XHSDSOJGSA-N 2 0 334.464 1.215 20 0 EDADRP COC[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000370589398 446345409 /nfs/dbraw/zinc/34/54/09/446345409.db2.gz PUJAWBNYVRZXCE-KRWDZBQOSA-N 2 0 333.476 1.654 20 0 EDADRP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CNC(=O)O3)CC2)nc(C(C)C)n1 ZINC000366784643 446349669 /nfs/dbraw/zinc/34/96/69/446349669.db2.gz ZHBWWNCTVCBGSQ-HNNXBMFYSA-N 2 0 347.463 1.917 20 0 EDADRP C[NH+]1CCC2(CCCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)CC1 ZINC000374149474 446354508 /nfs/dbraw/zinc/35/45/08/446354508.db2.gz AWVPGQOLVLGSJP-SFHVURJKSA-N 2 0 349.519 1.964 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417510611 446357809 /nfs/dbraw/zinc/35/78/09/446357809.db2.gz XKSWXVJIJWIVPE-OALUTQOASA-N 2 0 344.503 1.944 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417545324 446364323 /nfs/dbraw/zinc/36/43/23/446364323.db2.gz JDLDRXVKTXDGNK-UHFFFAOYSA-N 2 0 328.501 1.693 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000417547971 446364423 /nfs/dbraw/zinc/36/44/23/446364423.db2.gz HNXJPEORFOYBPF-RDJZCZTQSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417587114 446365052 /nfs/dbraw/zinc/36/50/52/446365052.db2.gz NNNAQFVBAUEQOL-KBAYOESNSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000417819910 446374354 /nfs/dbraw/zinc/37/43/54/446374354.db2.gz GVYFUDJCLNZUQP-WMZOPIPTSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000417922660 446386950 /nfs/dbraw/zinc/38/69/50/446386950.db2.gz JIJIYBUNZGGEMV-SJLPKXTDSA-N 2 0 330.476 1.902 20 0 EDADRP CN(CC[NH3+])C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417945468 446394829 /nfs/dbraw/zinc/39/48/29/446394829.db2.gz QZPDIRMVVBSSEZ-ZIAGYGMSSA-N 2 0 328.819 1.824 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC2CCC([NH3+])CC2)ccn1 ZINC000417954382 446398250 /nfs/dbraw/zinc/39/82/50/446398250.db2.gz QGQKDDNECRPFFN-UHFFFAOYSA-N 2 0 335.452 1.091 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431847319 446437611 /nfs/dbraw/zinc/43/76/11/446437611.db2.gz VQJOQBQOFACLQR-IEBWSBKVSA-N 2 0 345.487 1.860 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)ccc1C[NH+](C)C ZINC000411240232 446440012 /nfs/dbraw/zinc/44/00/12/446440012.db2.gz HGNDBDVWEFYAAS-UHFFFAOYSA-N 2 0 332.448 1.206 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423187634 446448189 /nfs/dbraw/zinc/44/81/89/446448189.db2.gz YIUJYKNNTDKYJG-OAHLLOKOSA-N 2 0 345.491 1.916 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000418184995 446451505 /nfs/dbraw/zinc/45/15/05/446451505.db2.gz AHISLZUMSNSPND-VHDGCEQUSA-N 2 0 340.418 1.931 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000418021563 446418691 /nfs/dbraw/zinc/41/86/91/446418691.db2.gz JQOKLRJQJOZTFF-UHFFFAOYSA-N 2 0 330.476 1.851 20 0 EDADRP CN(CC[NH3+])C(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418027932 446420231 /nfs/dbraw/zinc/42/02/31/446420231.db2.gz GZUFYJIGWRHVLZ-ZDUSSCGKSA-N 2 0 332.370 1.908 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420291325 446454847 /nfs/dbraw/zinc/45/48/47/446454847.db2.gz KBOJWMFZNGPIOM-GFCCVEGCSA-N 2 0 343.830 1.645 20 0 EDADRP COCCCOC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420296748 446459471 /nfs/dbraw/zinc/45/94/71/446459471.db2.gz DTEWLGDILJATJG-OALUTQOASA-N 2 0 336.476 1.435 20 0 EDADRP CCCNC(=O)C1CC[NH+](C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420297406 446459628 /nfs/dbraw/zinc/45/96/28/446459628.db2.gz DDCCQDRPAJUFQP-QGZVFWFLSA-N 2 0 333.476 1.976 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420305147 446468515 /nfs/dbraw/zinc/46/85/15/446468515.db2.gz YSAJVCZMTTUUIC-GOSISDBHSA-N 3 0 332.492 1.337 20 0 EDADRP Cn1ccnc1C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321067 446487472 /nfs/dbraw/zinc/48/74/72/446487472.db2.gz ZJXUOIKHDMBYJL-IAGOWNOFSA-N 3 0 331.508 1.754 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423333966 446493173 /nfs/dbraw/zinc/49/31/73/446493173.db2.gz RZQZHHHBDLNWSU-CABCVRRESA-N 2 0 335.496 1.593 20 0 EDADRP CCOC(=O)c1ccccc1NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327103 446495166 /nfs/dbraw/zinc/49/51/66/446495166.db2.gz CYDAYYYBKHXLBU-GASCZTMLSA-N 2 0 345.443 1.733 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000420327410 446495822 /nfs/dbraw/zinc/49/58/22/446495822.db2.gz YTDSYUVBTLSZKI-HZPDHXFCSA-N 2 0 339.480 1.300 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C1CCCCC1 ZINC000418343113 446508688 /nfs/dbraw/zinc/50/86/88/446508688.db2.gz AMFFWACIHXYKPL-HOTGVXAUSA-N 2 0 326.485 1.040 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000418354688 446512394 /nfs/dbraw/zinc/51/23/94/446512394.db2.gz BCDMPNYEMBYBLE-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1ccccc1 ZINC000423387314 446512534 /nfs/dbraw/zinc/51/25/34/446512534.db2.gz RYBIHZJGOIEQET-LMMKCTJWSA-N 2 0 331.460 1.564 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342349 446513188 /nfs/dbraw/zinc/51/31/88/446513188.db2.gz QSEJQRZROIDJNF-SOUVJXGZSA-N 2 0 336.480 1.465 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000418356812 446513317 /nfs/dbraw/zinc/51/33/17/446513317.db2.gz YMWKTLLXEFBXND-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000420341511 446513620 /nfs/dbraw/zinc/51/36/20/446513620.db2.gz ORPPWZPQBKJCGM-DLBZAZTESA-N 2 0 344.459 1.334 20 0 EDADRP CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@@H]([NH3+])c1ccccc1 ZINC000423388846 446513914 /nfs/dbraw/zinc/51/39/14/446513914.db2.gz JCVMELWFLHQVCP-HOTGVXAUSA-N 2 0 346.475 1.169 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418359252 446513974 /nfs/dbraw/zinc/51/39/74/446513974.db2.gz ZTOGACNQGOTIQP-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP CCC(CC)(CC(=O)OC)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411390541 446515168 /nfs/dbraw/zinc/51/51/68/446515168.db2.gz NMEPQOVIHWQFSW-UHFFFAOYSA-N 2 0 341.496 1.687 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418363264 446515262 /nfs/dbraw/zinc/51/52/62/446515262.db2.gz IAQJRGJVYLJUAY-AWEZNQCLSA-N 2 0 340.418 1.790 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423354395 446497651 /nfs/dbraw/zinc/49/76/51/446497651.db2.gz CVSDLDKVSILKEZ-XUWVNRHRSA-N 2 0 347.507 1.973 20 0 EDADRP Cn1cc(C(=O)NCC[N@H+](C)C2CCCCC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423346308 446498023 /nfs/dbraw/zinc/49/80/23/446498023.db2.gz ZTCUNLBSKNRMSY-HNNXBMFYSA-N 2 0 347.507 1.881 20 0 EDADRP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329772 446499422 /nfs/dbraw/zinc/49/94/22/446499422.db2.gz OXUUSGXSVIPWIR-SJLPKXTDSA-N 2 0 345.487 1.687 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418489586 446563606 /nfs/dbraw/zinc/56/36/06/446563606.db2.gz NVUHZRQKMMIWCO-XJKSGUPXSA-N 2 0 340.418 1.709 20 0 EDADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386862 446563767 /nfs/dbraw/zinc/56/37/67/446563767.db2.gz JFSIKSHYHILLCE-VQHPVUNQSA-N 2 0 335.492 1.476 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370130 446518462 /nfs/dbraw/zinc/51/84/62/446518462.db2.gz OYGYSXWAKAVPEI-IRXDYDNUSA-N 3 0 339.528 1.186 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346218 446518491 /nfs/dbraw/zinc/51/84/91/446518491.db2.gz CLHMTGJELYEPLZ-SJLPKXTDSA-N 2 0 330.476 1.013 20 0 EDADRP Cc1ccccc1CCNC(=O)[C@H](C)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346392 446519533 /nfs/dbraw/zinc/51/95/33/446519533.db2.gz WTROUPLCNYQKAK-YTQUADARSA-N 2 0 329.488 1.974 20 0 EDADRP [NH3+][C@@H]1C[C@@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402752 446520064 /nfs/dbraw/zinc/52/00/64/446520064.db2.gz XBQUNEUXHZGHOW-KFWWJZLASA-N 2 0 328.382 1.557 20 0 EDADRP [NH3+]C1CCC(NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000418389338 446525086 /nfs/dbraw/zinc/52/50/86/446525086.db2.gz RNXPNRUOFDAAAG-FOIPXRHGSA-N 2 0 346.475 1.191 20 0 EDADRP CCN(Cc1cccc(F)c1)C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348673 446525791 /nfs/dbraw/zinc/52/57/91/446525791.db2.gz MKTWEADBRIWOGT-SFHVURJKSA-N 2 0 348.466 1.154 20 0 EDADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420350055 446527306 /nfs/dbraw/zinc/52/73/06/446527306.db2.gz RFXUTNWEXGEWIO-MRXNPFEDSA-N 2 0 346.475 1.393 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN[C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352833 446531147 /nfs/dbraw/zinc/53/11/47/446531147.db2.gz AYBXVOOBTFOWCA-SJORKVTESA-N 2 0 332.492 1.383 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418404621 446532928 /nfs/dbraw/zinc/53/29/28/446532928.db2.gz CXTFIAVZOXYQJK-WMMRIRDVSA-N 2 0 332.492 1.928 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418430899 446540193 /nfs/dbraw/zinc/54/01/93/446540193.db2.gz POPUJBOLTZBQRK-GOSISDBHSA-N 2 0 348.491 1.829 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000433170495 446542279 /nfs/dbraw/zinc/54/22/79/446542279.db2.gz XCGNMDYXPMYECG-WWGRRREGSA-N 2 0 325.403 1.757 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2[C@H]2CNC(=O)C2)cc1 ZINC000420370579 446549241 /nfs/dbraw/zinc/54/92/41/446549241.db2.gz JPZKRHYOJMLUPI-JFIYKMOQSA-N 2 0 331.460 1.728 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)[C@H](C)C1 ZINC000453252242 446553160 /nfs/dbraw/zinc/55/31/60/446553160.db2.gz BWOXOVHZCLCKLH-QYZOEREBSA-N 2 0 341.540 1.560 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc2ccccc2c1 ZINC000418503843 446570623 /nfs/dbraw/zinc/57/06/23/446570623.db2.gz ZSQGTFVQPUQWBW-ROUUACIJSA-N 2 0 342.443 1.517 20 0 EDADRP Cc1ccc(NC(=O)NC(=O)[C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)c(C)c1 ZINC000420400293 446573716 /nfs/dbraw/zinc/57/37/16/446573716.db2.gz DOQYIRIWHVQBGR-CQSZACIVSA-N 2 0 348.447 1.126 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418522545 446579703 /nfs/dbraw/zinc/57/97/03/446579703.db2.gz JKVXJEQWKRFRPJ-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1 ZINC000371020868 446579872 /nfs/dbraw/zinc/57/98/72/446579872.db2.gz WIDLWKLKJONTLD-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CCN1C[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000423578224 446586081 /nfs/dbraw/zinc/58/60/81/446586081.db2.gz UHKVAWLYTPUJBA-HKUYNNGSSA-N 2 0 330.520 1.910 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000418592360 446606628 /nfs/dbraw/zinc/60/66/28/446606628.db2.gz CXYUIUAOIGALAW-OXXUSNJHSA-N 2 0 348.466 1.959 20 0 EDADRP O=C(NCC1CC[NH+](CCO)CC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434351500 446637496 /nfs/dbraw/zinc/63/74/96/446637496.db2.gz CERRBTFUHUZGLD-QGZVFWFLSA-N 2 0 338.496 1.007 20 0 EDADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)CC1CC1 ZINC000418668462 446641748 /nfs/dbraw/zinc/64/17/48/446641748.db2.gz HTFSDLIOOKLEQQ-PIIMJCKOSA-N 2 0 334.508 1.748 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418668414 446642100 /nfs/dbraw/zinc/64/21/00/446642100.db2.gz GNUBMUHEIDYLEW-BPQIPLTHSA-N 2 0 348.491 1.439 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418668416 446642210 /nfs/dbraw/zinc/64/22/10/446642210.db2.gz GNUBMUHEIDYLEW-NJAFHUGGSA-N 2 0 348.491 1.439 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690493 446648302 /nfs/dbraw/zinc/64/83/02/446648302.db2.gz XFBSOHOCWDOOKN-LEUOFYLZSA-N 2 0 328.460 1.620 20 0 EDADRP CN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418745110 446667126 /nfs/dbraw/zinc/66/71/26/446667126.db2.gz VFWHKBMCTKRXID-LSDHHAIUSA-N 2 0 340.418 1.885 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000423738522 446669184 /nfs/dbraw/zinc/66/91/84/446669184.db2.gz UTDPVNFAVXJYBA-GOSISDBHSA-N 2 0 347.459 1.108 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000418635241 446626832 /nfs/dbraw/zinc/62/68/32/446626832.db2.gz DKUSHFDIZQBVFS-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770333 446696425 /nfs/dbraw/zinc/69/64/25/446696425.db2.gz DCEJJLZURHPXGN-PKOBYXMFSA-N 2 0 345.487 1.878 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786766 446701871 /nfs/dbraw/zinc/70/18/71/446701871.db2.gz JIAOGHZLYVCLBF-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423751099 446679503 /nfs/dbraw/zinc/67/95/03/446679503.db2.gz YEGGTQKRRVPSEJ-LMMKCTJWSA-N 2 0 336.524 1.523 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418762025 446681861 /nfs/dbraw/zinc/68/18/61/446681861.db2.gz MCBICMYGRBPZBL-CQSZACIVSA-N 2 0 332.439 1.891 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423753434 446684298 /nfs/dbraw/zinc/68/42/98/446684298.db2.gz BTPZTHRQRSKWTL-LSDHHAIUSA-N 2 0 335.496 1.737 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CCOC1 ZINC000437792191 446758891 /nfs/dbraw/zinc/75/88/91/446758891.db2.gz KHBZWRWEDLZWPY-MSOLQXFVSA-N 2 0 333.476 1.292 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423931040 446782051 /nfs/dbraw/zinc/78/20/51/446782051.db2.gz LXVRQFFUFGLWLR-UIBIWLFHSA-N 2 0 347.507 1.650 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423934872 446787639 /nfs/dbraw/zinc/78/76/39/446787639.db2.gz XCSFWFQKCJIDAN-XJNFMUPTSA-N 2 0 335.496 1.635 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC2CCC([NH+](C)C)CC2)C[C@@H](C)O1 ZINC000420759873 446797551 /nfs/dbraw/zinc/79/75/51/446797551.db2.gz JBCACFXORYSOFZ-NUWOQIAWSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)N1CCc2sccc2C1 ZINC000454240121 446821643 /nfs/dbraw/zinc/82/16/43/446821643.db2.gz ANPRVNWSBQSSDR-IJEWVQPXSA-N 2 0 348.516 1.840 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042199 446830393 /nfs/dbraw/zinc/83/03/93/446830393.db2.gz AJKUBXUTJWMWED-FGTMMUONSA-N 2 0 329.444 1.098 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424042200 446830663 /nfs/dbraw/zinc/83/06/63/446830663.db2.gz AJKUBXUTJWMWED-OKZBNKHCSA-N 2 0 329.444 1.098 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419003617 446858917 /nfs/dbraw/zinc/85/89/17/446858917.db2.gz QNDNDXMXHOSVAA-IRXDYDNUSA-N 2 0 346.475 1.011 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)c1 ZINC000419015890 446867845 /nfs/dbraw/zinc/86/78/45/446867845.db2.gz FKJYHFINNBNUNG-KRWDZBQOSA-N 2 0 348.491 1.244 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419020936 446870802 /nfs/dbraw/zinc/87/08/02/446870802.db2.gz GLNPZYLTBJHHHZ-HLLBOEOZSA-N 2 0 346.475 1.039 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000424454320 446875373 /nfs/dbraw/zinc/87/53/73/446875373.db2.gz LJNAKGBOVONIRQ-BBRMVZONSA-N 2 0 332.448 1.237 20 0 EDADRP COC1(C[NH2+]CCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCOCC1 ZINC000368461425 446877481 /nfs/dbraw/zinc/87/74/81/446877481.db2.gz IRJCLSXPMFMOEZ-IBGZPJMESA-N 2 0 347.503 1.760 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000424459840 446878395 /nfs/dbraw/zinc/87/83/95/446878395.db2.gz HPGPKMQPGCORJX-YLFCFFPRSA-N 2 0 340.512 1.693 20 0 EDADRP Cn1cc([C@@H]2[C@H](CNC(=O)c3ccc(C[NH3+])cc3)CCC[N@@H+]2C)cn1 ZINC000368478501 446886562 /nfs/dbraw/zinc/88/65/62/446886562.db2.gz SLFYOUKZAREBRV-WMZOPIPTSA-N 2 0 341.459 1.692 20 0 EDADRP C[C@@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@@H](C)N1CCOCC1 ZINC000454542785 446906695 /nfs/dbraw/zinc/90/66/95/446906695.db2.gz LLTGCCTWXPGUGT-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@@H](C)C1 ZINC000412339926 446940860 /nfs/dbraw/zinc/94/08/60/446940860.db2.gz QDPFFNRVRCUSPE-HOCLYGCPSA-N 2 0 325.522 1.757 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419135118 446944700 /nfs/dbraw/zinc/94/47/00/446944700.db2.gz KMPZPSVKQDNVLG-GJZGRUSLSA-N 2 0 338.496 1.143 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C(C)(C)C ZINC000419138636 446949979 /nfs/dbraw/zinc/94/99/79/446949979.db2.gz SWNSLVVUUSZEOR-KFWWJZLASA-N 2 0 340.512 1.103 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000442783510 446968100 /nfs/dbraw/zinc/96/81/00/446968100.db2.gz TYVBAZSOFZLKFV-GHMZBOCLSA-N 2 0 338.839 1.437 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000372115519 447009929 /nfs/dbraw/zinc/00/99/29/447009929.db2.gz HSTSBHINRUFJPS-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@]1(F)CC[NH2+]C1 ZINC000372116261 447011227 /nfs/dbraw/zinc/01/12/27/447011227.db2.gz NTSKXXHSWAXDOT-YVEFUNNKSA-N 2 0 335.379 1.236 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419158547 446975297 /nfs/dbraw/zinc/97/52/97/446975297.db2.gz WMASRCKTLGCLRI-JKSUJKDBSA-N 2 0 340.512 1.104 20 0 EDADRP CN(CCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443061675 447001201 /nfs/dbraw/zinc/00/12/01/447001201.db2.gz SDJGOSWTTMCIIR-KRWDZBQOSA-N 2 0 332.492 1.690 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000372107586 447004890 /nfs/dbraw/zinc/00/48/90/447004890.db2.gz KVBGXBYYBPUUJY-AEFFLSMTSA-N 2 0 337.508 1.604 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419270910 447045728 /nfs/dbraw/zinc/04/57/28/447045728.db2.gz ROUQOTUUBDYBKB-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419243484 447027739 /nfs/dbraw/zinc/02/77/39/447027739.db2.gz UHGDWYOATIOYBO-GOEBONIOSA-N 2 0 338.496 1.001 20 0 EDADRP O[C@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@@H](O)C4(CC4)C3)c2)CC12CC2 ZINC000368787438 447105226 /nfs/dbraw/zinc/10/52/26/447105226.db2.gz VXQGFBBQEPVBIM-HDICACEKSA-N 2 0 328.456 1.600 20 0 EDADRP CN(C[C@H]1CCn2ccnc2C1)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372525668 447109978 /nfs/dbraw/zinc/10/99/78/447109978.db2.gz HVQIWQJPPDVBSV-DOTOQJQBSA-N 2 0 346.475 1.547 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000368738657 447077025 /nfs/dbraw/zinc/07/70/25/447077025.db2.gz BADURAAPOIYCLC-FGTMMUONSA-N 2 0 336.524 1.536 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444169969 447085511 /nfs/dbraw/zinc/08/55/11/447085511.db2.gz SESCVQLRGSVGNI-DOTOQJQBSA-N 2 0 337.533 1.854 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425401484 447146798 /nfs/dbraw/zinc/14/67/98/447146798.db2.gz QEADNLQQAOGPTK-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000444999094 447154215 /nfs/dbraw/zinc/15/42/15/447154215.db2.gz PBAHQUUPSSMEIU-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000419407152 447156387 /nfs/dbraw/zinc/15/63/87/447156387.db2.gz JRKOXAQGAFCJFH-CABCVRRESA-N 2 0 346.475 1.171 20 0 EDADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419424449 447166456 /nfs/dbraw/zinc/16/64/56/447166456.db2.gz OFQFFIFYHMCVFP-QGZVFWFLSA-N 2 0 346.475 1.008 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3Cc4ccccc4[C@@H]3O)CC2)CC1 ZINC000368820725 447134179 /nfs/dbraw/zinc/13/41/79/447134179.db2.gz GCDPCUVBDGKNFQ-UXHICEINSA-N 2 0 343.515 1.994 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419429224 447169472 /nfs/dbraw/zinc/16/94/72/447169472.db2.gz AFFQYABFPQYGKH-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419429225 447169589 /nfs/dbraw/zinc/16/95/89/447169589.db2.gz AFFQYABFPQYGKH-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000375952689 447170670 /nfs/dbraw/zinc/17/06/70/447170670.db2.gz CQJJMXOTEMXQJD-RTBURBONSA-N 2 0 339.524 1.672 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)C(C)C ZINC000446060477 447222585 /nfs/dbraw/zinc/22/25/85/447222585.db2.gz JZFZBDSTVPMTIV-UHFFFAOYSA-N 2 0 348.491 1.576 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425548681 447226451 /nfs/dbraw/zinc/22/64/51/447226451.db2.gz KDJBZBXKYOLLHX-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000376046801 447233183 /nfs/dbraw/zinc/23/31/83/447233183.db2.gz RSWWLMRFRZTUJK-CWLKWCNXSA-N 2 0 326.481 1.348 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372716465 447242735 /nfs/dbraw/zinc/24/27/35/447242735.db2.gz OYQKJFCRLVBMJL-JKSUJKDBSA-N 2 0 344.459 1.660 20 0 EDADRP Cc1c(Cl)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1C ZINC000421771749 447245723 /nfs/dbraw/zinc/24/57/23/447245723.db2.gz XKGRWCMQWOGVMD-UHFFFAOYSA-N 2 0 343.903 1.728 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000372815734 447297819 /nfs/dbraw/zinc/29/78/19/447297819.db2.gz PZKYRIBUWYQBFP-GOSISDBHSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@H]1C[C@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379681203 447454176 /nfs/dbraw/zinc/45/41/76/447454176.db2.gz PQQHWMHOZZIOFH-DOTOQJQBSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCCO1 ZINC000390656282 447496230 /nfs/dbraw/zinc/49/62/30/447496230.db2.gz WMFCUKWGFMRDLC-OWCLPIDISA-N 2 0 341.496 1.942 20 0 EDADRP CN(C)c1nccc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000391089907 447509940 /nfs/dbraw/zinc/50/99/40/447509940.db2.gz YGWDWXLYGXUYGT-QGZVFWFLSA-N 2 0 341.459 2.246 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000457110032 447519107 /nfs/dbraw/zinc/51/91/07/447519107.db2.gz HJJINTLTWXNISM-QGZVFWFLSA-N 2 0 337.508 1.963 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419983169 447529771 /nfs/dbraw/zinc/52/97/71/447529771.db2.gz BUJHJIKDPXGMIT-HOTGVXAUSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000459032922 447546849 /nfs/dbraw/zinc/54/68/49/447546849.db2.gz BQXYPBCYQZXGOS-JQHSSLGASA-N 2 0 348.491 1.119 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400503036 447573830 /nfs/dbraw/zinc/57/38/30/447573830.db2.gz JAWMQYLFHNJYJP-LSDHHAIUSA-N 2 0 341.496 1.821 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)CC[N@@H+](C2CC2)C1 ZINC000457845182 447647307 /nfs/dbraw/zinc/64/73/07/447647307.db2.gz AFDHOKUHQXDXMT-OAHLLOKOSA-N 2 0 334.508 1.987 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000459371607 447647383 /nfs/dbraw/zinc/64/73/83/447647383.db2.gz ILMGVXTYIWVUGG-QGZVFWFLSA-N 3 0 331.508 1.666 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000416558158 447648291 /nfs/dbraw/zinc/64/82/91/447648291.db2.gz OOENSGUCILGJCA-OAHLLOKOSA-N 2 0 339.505 1.758 20 0 EDADRP C[C@@H]1CC[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000459165493 447603486 /nfs/dbraw/zinc/60/34/86/447603486.db2.gz MMKFNPUTEFHADD-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000420127071 447619938 /nfs/dbraw/zinc/61/99/38/447619938.db2.gz REVXLNMNRYEEGQ-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416903637 447702821 /nfs/dbraw/zinc/70/28/21/447702821.db2.gz CNJJWOPDFBOCJM-MAUKXSAKSA-N 2 0 348.491 1.987 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000459400182 447654140 /nfs/dbraw/zinc/65/41/40/447654140.db2.gz BSUKOLKXBJXEMC-HNNXBMFYSA-N 2 0 338.496 1.761 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000427917034 447669991 /nfs/dbraw/zinc/66/99/91/447669991.db2.gz OAILFOAFOJYHOJ-GJZGRUSLSA-N 2 0 325.497 1.865 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000416807591 447688550 /nfs/dbraw/zinc/68/85/50/447688550.db2.gz HGYZRVAQAHXTLN-LSDHHAIUSA-N 2 0 336.436 1.094 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc(OC)c1 ZINC000422833493 447763274 /nfs/dbraw/zinc/76/32/74/447763274.db2.gz YUVCHJITMZHVTC-URLQWDBASA-N 2 0 336.476 1.833 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000416941518 447719069 /nfs/dbraw/zinc/71/90/69/447719069.db2.gz AAFQBFLMWRKVTL-BBWFWOEESA-N 2 0 339.528 1.075 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417013850 447729581 /nfs/dbraw/zinc/72/95/81/447729581.db2.gz CWZSKRRAUBBLPK-JKSUJKDBSA-N 2 0 338.496 1.258 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422740652 447735491 /nfs/dbraw/zinc/73/54/91/447735491.db2.gz NYGZHYOBWSZENZ-UHFFFAOYSA-N 2 0 339.505 1.980 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1 ZINC000422745689 447736668 /nfs/dbraw/zinc/73/66/68/447736668.db2.gz YFPMPHXPQCPZMM-OAHLLOKOSA-N 2 0 343.493 1.217 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417256001 447738620 /nfs/dbraw/zinc/73/86/20/447738620.db2.gz QSKKQMVPKDQOOP-RQJABVFESA-N 2 0 332.439 1.649 20 0 EDADRP O=C1CCCN1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756897 447741594 /nfs/dbraw/zinc/74/15/94/447741594.db2.gz CPLQHYUDIAUMSZ-VQIMIIECSA-N 2 0 329.444 1.844 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459715213 447749896 /nfs/dbraw/zinc/74/98/96/447749896.db2.gz PAIBXXXOIIZIGK-RYQLBKOJSA-N 2 0 329.448 1.139 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(F)ccc1N1CCOCC1 ZINC000422791472 447751553 /nfs/dbraw/zinc/75/15/53/447751553.db2.gz VZEQIAXGSZXOGI-INIZCTEOSA-N 2 0 325.428 1.506 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000430800446 447786363 /nfs/dbraw/zinc/78/63/63/447786363.db2.gz QYLSGTJCHBSGNM-XJKSGUPXSA-N 2 0 348.495 1.456 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@@H]2C)CC[NH2+]CC1 ZINC000422986684 447788244 /nfs/dbraw/zinc/78/82/44/447788244.db2.gz DFAXEGPDRJMSDR-HRCADAONSA-N 2 0 325.497 1.626 20 0 EDADRP C[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496508955 447797927 /nfs/dbraw/zinc/79/79/27/447797927.db2.gz UWZDCFSAUXIRKY-RDJZCZTQSA-N 2 0 335.448 1.612 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423078110 447800117 /nfs/dbraw/zinc/80/01/17/447800117.db2.gz NVCJXPGXOKCNGN-HIFRSBDPSA-N 2 0 331.526 1.686 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000423106252 447805787 /nfs/dbraw/zinc/80/57/87/447805787.db2.gz ZNCSLXTZPNZJAJ-GTPINHCMSA-N 3 0 337.508 1.914 20 0 EDADRP C[C@H](CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000569676591 447863492 /nfs/dbraw/zinc/86/34/92/447863492.db2.gz LQJWBACDTUPHLW-AEFFLSMTSA-N 3 0 347.507 1.181 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000487685525 447835892 /nfs/dbraw/zinc/83/58/92/447835892.db2.gz IIXYMRAETPHRIS-CRAIPNDOSA-N 2 0 333.476 1.783 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000487684760 447835986 /nfs/dbraw/zinc/83/59/86/447835986.db2.gz CZAWODHPPWPHMF-SJORKVTESA-N 2 0 338.496 1.148 20 0 EDADRP CCCN(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[NH2+]C1 ZINC000569676566 447863815 /nfs/dbraw/zinc/86/38/15/447863815.db2.gz VYRXNCJEYXEYAA-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728588 447860664 /nfs/dbraw/zinc/86/06/64/447860664.db2.gz VRSCHMWEVFNHFA-ZWKOTPCHSA-N 2 0 341.496 1.680 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000569732764 447880074 /nfs/dbraw/zinc/88/00/74/447880074.db2.gz OJDBWHPZNKGWPE-UHFFFAOYSA-N 2 0 339.867 1.896 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2(C)C[NH2+]C2)CC1 ZINC000575745478 447888432 /nfs/dbraw/zinc/88/84/32/447888432.db2.gz MTRVSEQAKZVBBT-UHFFFAOYSA-N 2 0 330.476 1.050 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCC2 ZINC000569815198 447898541 /nfs/dbraw/zinc/89/85/41/447898541.db2.gz YFTBSEZECWCQPR-HNNXBMFYSA-N 2 0 333.480 1.317 20 0 EDADRP COc1ccccc1C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])C(C)C ZINC000569912028 447914725 /nfs/dbraw/zinc/91/47/25/447914725.db2.gz KYMNBBLMOGHZIP-SJORKVTESA-N 2 0 348.491 1.547 20 0 EDADRP C[C@@H]1C[NH+](C)CCN1Cc1cncc(CN2CC[N@@H+](C)C[C@H]2C)c1 ZINC000569917596 447915401 /nfs/dbraw/zinc/91/54/01/447915401.db2.gz KHYORXSKSGLUHJ-IAGOWNOFSA-N 2 0 331.508 1.353 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCSC1 ZINC000530656215 447935043 /nfs/dbraw/zinc/93/50/43/447935043.db2.gz RNHAEQXVKFBBLZ-QGZVFWFLSA-N 2 0 342.553 1.940 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814457 447964022 /nfs/dbraw/zinc/96/40/22/447964022.db2.gz GBFBKKIVVGQGAJ-IEBWSBKVSA-N 2 0 331.460 1.224 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1(CCO)CC[NH+](C)CC1 ZINC000570411452 448008207 /nfs/dbraw/zinc/00/82/07/448008207.db2.gz ORAHNSBKLPRHHW-HKUYNNGSSA-N 2 0 331.504 1.943 20 0 EDADRP Cc1ccncc1N1CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC000571017601 448095754 /nfs/dbraw/zinc/09/57/54/448095754.db2.gz KZUKHZTURRFFAB-UHFFFAOYSA-N 2 0 348.410 1.933 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000531525853 448099036 /nfs/dbraw/zinc/09/90/36/448099036.db2.gz CVNHPRZDDADERA-QGZVFWFLSA-N 2 0 328.501 1.471 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000527113395 448162086 /nfs/dbraw/zinc/16/20/86/448162086.db2.gz ZPCVADPPDANJON-IBGZPJMESA-N 2 0 331.460 1.224 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000576799241 448140322 /nfs/dbraw/zinc/14/03/22/448140322.db2.gz IZOBEIKGTWVIEG-AEFFLSMTSA-N 2 0 345.491 1.603 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC2CC[NH2+]CC2)c1 ZINC000571394912 448145874 /nfs/dbraw/zinc/14/58/74/448145874.db2.gz XBQSBFSBZJUHGI-ZDUSSCGKSA-N 2 0 333.432 1.780 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCN1CCc2sccc2C1 ZINC000556724971 448146808 /nfs/dbraw/zinc/14/68/08/448146808.db2.gz YWICRDGWWSROBF-HNNXBMFYSA-N 2 0 336.505 1.842 20 0 EDADRP CC(C)[C@H](C[NH2+]C1CCN(c2cnccn2)CC1)N1CC[NH+](C)CC1 ZINC000531946868 448175504 /nfs/dbraw/zinc/17/55/04/448175504.db2.gz CXYZBTSRMMUGMQ-SFHVURJKSA-N 2 0 346.523 1.307 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000497084278 448185342 /nfs/dbraw/zinc/18/53/42/448185342.db2.gz TTZYUQGRKFRECZ-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1c(Cl)cccc1OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000571683978 448190037 /nfs/dbraw/zinc/19/00/37/448190037.db2.gz WOVYDOKMLDCTMF-UHFFFAOYSA-N 2 0 341.883 1.979 20 0 EDADRP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(=O)N1C ZINC000497096248 448195784 /nfs/dbraw/zinc/19/57/84/448195784.db2.gz WYGMMFNUPLGSKX-OIPACUDHSA-N 2 0 331.464 1.298 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)C[C@H]1C ZINC000571746801 448197729 /nfs/dbraw/zinc/19/77/29/448197729.db2.gz XDQPEUXMCUMKLL-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000571757318 448200546 /nfs/dbraw/zinc/20/05/46/448200546.db2.gz BRIWCJWIALLBNR-AWEZNQCLSA-N 2 0 330.432 1.204 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000571777536 448205803 /nfs/dbraw/zinc/20/58/03/448205803.db2.gz VTCWLDZVYKZPNB-NJAFHUGGSA-N 2 0 346.475 1.327 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000514590546 448167143 /nfs/dbraw/zinc/16/71/43/448167143.db2.gz ZBZXZAYGAOITHD-OKZBNKHCSA-N 2 0 330.476 1.997 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000571928591 448238425 /nfs/dbraw/zinc/23/84/25/448238425.db2.gz FNRLEQLSRLVDHQ-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000577120859 448214393 /nfs/dbraw/zinc/21/43/93/448214393.db2.gz CGNSRJJEOREFSU-KRWDZBQOSA-N 2 0 345.491 1.052 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)N[C@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C2 ZINC000577252248 448246854 /nfs/dbraw/zinc/24/68/54/448246854.db2.gz YJLLKDCNMBEIBO-WDSOQIARSA-N 2 0 338.455 1.968 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000515053455 448250099 /nfs/dbraw/zinc/25/00/99/448250099.db2.gz DKNYLAYVJATPFK-WSTZPKSXSA-N 2 0 343.471 1.393 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1cccc2c1CC[NH2+]C2 ZINC000571983111 448253352 /nfs/dbraw/zinc/25/33/52/448253352.db2.gz QPORZCVBYTUUHX-HNNXBMFYSA-N 2 0 332.448 1.301 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000582535691 448265800 /nfs/dbraw/zinc/26/58/00/448265800.db2.gz YFOOXAWFMRKEBR-SFHVURJKSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](Cc1c[nH]cn1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177006 448307272 /nfs/dbraw/zinc/30/72/72/448307272.db2.gz MWNPIUBKVITTEV-OAHLLOKOSA-N 2 0 334.464 1.740 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000577486489 448309597 /nfs/dbraw/zinc/30/95/97/448309597.db2.gz ZBVVVRCLEJKIOT-AWEZNQCLSA-N 2 0 326.391 1.415 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000582615645 448292865 /nfs/dbraw/zinc/29/28/65/448292865.db2.gz CPWJYBZQENKBJL-UHFFFAOYSA-N 2 0 341.375 1.365 20 0 EDADRP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000572354552 448354554 /nfs/dbraw/zinc/35/45/54/448354554.db2.gz CSUJGRNXSVEINX-LBPRGKRZSA-N 2 0 340.265 1.402 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CCOC3(C)C)CC2)CC1 ZINC000577767710 448385007 /nfs/dbraw/zinc/38/50/07/448385007.db2.gz JOQPVKRARMUPEC-QGZVFWFLSA-N 2 0 337.508 1.866 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCO3)[C@H](C2CC[NH2+]CC2)N1 ZINC000577829020 448394520 /nfs/dbraw/zinc/39/45/20/448394520.db2.gz HYPNJBIPDKYPEH-BEFAXECRSA-N 2 0 345.443 1.194 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2ncccc12 ZINC000572441151 448378071 /nfs/dbraw/zinc/37/80/71/448378071.db2.gz DJTVSBXNQFRTNV-OAHLLOKOSA-N 2 0 344.463 1.217 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000577753637 448380084 /nfs/dbraw/zinc/38/00/84/448380084.db2.gz WFYLVSSXSPTCMD-VVFCZOMOSA-N 2 0 347.434 1.942 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](Nc3ccccc3)C2)C1 ZINC000578166899 448476083 /nfs/dbraw/zinc/47/60/83/448476083.db2.gz CAMVMTRBIBHXOJ-AEFFLSMTSA-N 2 0 330.476 1.760 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NCC1CC[NH2+]CC1 ZINC000516916534 448495314 /nfs/dbraw/zinc/49/53/14/448495314.db2.gz QBYYLDNOQGHIKT-GOSISDBHSA-N 2 0 346.475 1.052 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000584400211 448511373 /nfs/dbraw/zinc/51/13/73/448511373.db2.gz JTBHZEMZFUDDLJ-ZWKOTPCHSA-N 2 0 344.459 1.588 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000566674346 448534570 /nfs/dbraw/zinc/53/45/70/448534570.db2.gz JTXKKIAGCWYEBH-HZPDHXFCSA-N 2 0 345.409 1.530 20 0 EDADRP OCC1(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)COC1 ZINC000536486550 448527356 /nfs/dbraw/zinc/52/73/56/448527356.db2.gz XPOCZFFCMBSUTK-UHFFFAOYSA-N 2 0 330.472 1.983 20 0 EDADRP Clc1cccnc1OCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000573197685 448564356 /nfs/dbraw/zinc/56/43/56/448564356.db2.gz UHAZZQSEWZWPBI-VHDGCEQUSA-N 2 0 325.840 1.861 20 0 EDADRP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000578523217 448569675 /nfs/dbraw/zinc/56/96/75/448569675.db2.gz RPZCROMGUCQMMN-GOSISDBHSA-N 2 0 327.472 1.846 20 0 EDADRP COCC[NH2+]CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000566680607 448536919 /nfs/dbraw/zinc/53/69/19/448536919.db2.gz JRPNLUOFBLBXTJ-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(CCN4CC[NH2+]CC4)CC[C@H]32)cc1 ZINC000584470477 448539033 /nfs/dbraw/zinc/53/90/33/448539033.db2.gz BZZJUAAOJAAIHH-NHCUHLMSSA-N 2 0 342.531 1.878 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000528675168 448626159 /nfs/dbraw/zinc/62/61/59/448626159.db2.gz NIFXWASFUFGWKW-GOSISDBHSA-N 2 0 346.475 1.825 20 0 EDADRP CO[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000584834443 448648333 /nfs/dbraw/zinc/64/83/33/448648333.db2.gz ORQOSLZXHLWKQQ-IAGOWNOFSA-N 2 0 341.883 1.225 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cn2)CC1 ZINC000518164315 448650042 /nfs/dbraw/zinc/65/00/42/448650042.db2.gz MMPPJHDZJGQHQA-MSOLQXFVSA-N 3 0 331.508 1.831 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(CC[NH3+])CC1)c1ccccc1 ZINC000567358984 448675629 /nfs/dbraw/zinc/67/56/29/448675629.db2.gz DJZJVIZKZGRULP-SFHVURJKSA-N 3 0 332.492 1.466 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])[C@@H](C)C1 ZINC000584783033 448631390 /nfs/dbraw/zinc/63/13/90/448631390.db2.gz JJDFDFQPFMCHFF-VVLHAWIVSA-N 2 0 327.513 1.859 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@@H](C)C1 ZINC000567209425 448636213 /nfs/dbraw/zinc/63/62/13/448636213.db2.gz AMKCKPNWUAYOSZ-CFAJVAMVSA-N 2 0 331.464 1.639 20 0 EDADRP C[C@H]([NH2+][C@@H]1COCC1(C)C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567456202 448696788 /nfs/dbraw/zinc/69/67/88/448696788.db2.gz ZSAQFZONYNFRCD-CGTJXYLNSA-N 2 0 345.487 1.780 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000518735618 448703925 /nfs/dbraw/zinc/70/39/25/448703925.db2.gz OWSXEMMYZYHCBP-JXQTWKCFSA-N 2 0 348.413 1.828 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000573905710 448741170 /nfs/dbraw/zinc/74/11/70/448741170.db2.gz IVARJIDIKGZHSU-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCCN(Cc2nccn2C(C)C)CC1 ZINC000519332845 448759651 /nfs/dbraw/zinc/75/96/51/448759651.db2.gz JJRGEYHAIJWDOE-UHFFFAOYSA-N 2 0 335.496 1.840 20 0 EDADRP O=C(C[N@@H+]1CC[C@@H](c2cccnc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000574153818 448802081 /nfs/dbraw/zinc/80/20/81/448802081.db2.gz GTTNWKCYKYZULX-MRXNPFEDSA-N 2 0 328.460 1.614 20 0 EDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000568051623 448807156 /nfs/dbraw/zinc/80/71/56/448807156.db2.gz UJDLZRKTVHZFQE-YJBOKZPZSA-N 2 0 329.448 1.622 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000574200257 448815178 /nfs/dbraw/zinc/81/51/78/448815178.db2.gz OTNICKXBZMEFLR-WMZOPIPTSA-N 2 0 338.540 1.816 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000529302777 448812934 /nfs/dbraw/zinc/81/29/34/448812934.db2.gz ZUOMIIZLQPEYLO-KRWDZBQOSA-N 2 0 348.491 1.766 20 0 EDADRP C[C@H]1CN(CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000519422329 448769370 /nfs/dbraw/zinc/76/93/70/448769370.db2.gz RUVHYJKTTYYITL-FUHWJXTLSA-N 2 0 331.460 1.345 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3conc3C(C)(C)[NH3+])CC2)c1 ZINC000574100003 448791785 /nfs/dbraw/zinc/79/17/85/448791785.db2.gz KDWMFGAFJFMHBB-UHFFFAOYSA-N 2 0 345.403 1.234 20 0 EDADRP CN(C[C@@H](O)C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C1CC1 ZINC000579464577 448798702 /nfs/dbraw/zinc/79/87/02/448798702.db2.gz ARKTYFZLHDSCFW-INIZCTEOSA-N 2 0 348.422 1.853 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])C2)CC1 ZINC000579589428 448828516 /nfs/dbraw/zinc/82/85/16/448828516.db2.gz DEHJTKKFJGUYGS-RCCFBDPRSA-N 2 0 336.524 1.521 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000519826020 448853567 /nfs/dbraw/zinc/85/35/67/448853567.db2.gz FLZPPKQRBRRBMK-UHFFFAOYSA-N 2 0 345.487 1.905 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000568822956 448921573 /nfs/dbraw/zinc/92/15/73/448921573.db2.gz UXLIPEIODLLWMM-ICSRJNTNSA-N 2 0 347.503 1.716 20 0 EDADRP C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000547787141 448929174 /nfs/dbraw/zinc/92/91/74/448929174.db2.gz JIXVFRFPSMVJRA-RYQLBKOJSA-N 2 0 333.476 1.498 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000520771054 448929251 /nfs/dbraw/zinc/92/92/51/448929251.db2.gz MAERAQGEPZWKBC-XXQMMXQMSA-N 2 0 342.487 1.804 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504369 448888026 /nfs/dbraw/zinc/88/80/26/448888026.db2.gz CXQUXPQAJDVKJU-MAUKXSAKSA-N 2 0 330.476 1.905 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000582061502 449001258 /nfs/dbraw/zinc/00/12/58/449001258.db2.gz WNTFMMICODNHSE-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccccc2N2CCOCC2)CC12CCOCC2 ZINC000582181359 449032393 /nfs/dbraw/zinc/03/23/93/449032393.db2.gz STYAZYXFHYSSEZ-GOSISDBHSA-N 2 0 345.487 1.711 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CCn3ccnc3C2)CC[N@@H+](C2CCC2)C1 ZINC000582038663 448994031 /nfs/dbraw/zinc/99/40/31/448994031.db2.gz CMGBHIZCHDBCHI-CABCVRRESA-N 2 0 331.464 1.714 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c21 ZINC000592956214 449076097 /nfs/dbraw/zinc/07/60/97/449076097.db2.gz DXKVYLBXIQSWNF-CABCVRRESA-N 2 0 331.464 1.420 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239865 449090818 /nfs/dbraw/zinc/09/08/18/449090818.db2.gz ILTYJRZPGCULGC-ICSRJNTNSA-N 3 0 347.503 1.828 20 0 EDADRP COC(=O)CCCN1CCC([NH2+][C@@H]2Cc3ccccc3NC2=O)CC1 ZINC000600211511 449245750 /nfs/dbraw/zinc/24/57/50/449245750.db2.gz WFSPJQJDSCFJDP-QGZVFWFLSA-N 2 0 345.443 1.557 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)n1C ZINC000602004462 449270993 /nfs/dbraw/zinc/27/09/93/449270993.db2.gz VHHNOIFCMVTGSI-UHFFFAOYSA-N 2 0 348.491 1.460 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC000602120174 449360475 /nfs/dbraw/zinc/36/04/75/449360475.db2.gz MRHNLKGKQKMWFL-QGZVFWFLSA-N 2 0 338.540 1.591 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000606632895 449493947 /nfs/dbraw/zinc/49/39/47/449493947.db2.gz XEQIUAFLTQJQGC-OWCLPIDISA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000607235078 449588079 /nfs/dbraw/zinc/58/80/79/449588079.db2.gz ZSDNHSULKBUGAU-KRWDZBQOSA-N 3 0 341.544 1.243 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c(C)o1 ZINC000594617725 449595139 /nfs/dbraw/zinc/59/51/39/449595139.db2.gz XVFYGQKCPWZAQO-UHFFFAOYSA-N 2 0 337.464 1.738 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607409773 449611318 /nfs/dbraw/zinc/61/13/18/449611318.db2.gz MISFOEKDGDIREC-MJGOQNOKSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602469259 449615788 /nfs/dbraw/zinc/61/57/88/449615788.db2.gz SHEHKLXMUUFHOR-NPMXOYFQSA-N 2 0 343.537 1.258 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCc3cccc4c3CC[NH2+]C4)c21 ZINC000602585864 449688706 /nfs/dbraw/zinc/68/87/06/449688706.db2.gz WJMXIWYRYYPWSW-ZDUSSCGKSA-N 2 0 339.443 1.295 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000595013289 449841214 /nfs/dbraw/zinc/84/12/14/449841214.db2.gz RTXHYGNHVALZNN-HOTGVXAUSA-N 2 0 327.513 1.827 20 0 EDADRP CC[C@@H](C)[C@@H](NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC ZINC000602877015 449885512 /nfs/dbraw/zinc/88/55/12/449885512.db2.gz KAZRSUNXLIYEEL-GDBMZVCRSA-N 2 0 339.480 1.108 20 0 EDADRP C[C@]1(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902544 449933601 /nfs/dbraw/zinc/93/36/01/449933601.db2.gz BPKOCIQNBZTJEH-MJGOQNOKSA-N 2 0 346.475 1.329 20 0 EDADRP C[C@]1(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902541 449933964 /nfs/dbraw/zinc/93/39/64/449933964.db2.gz BPKOCIQNBZTJEH-HKUYNNGSSA-N 2 0 346.475 1.329 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595338178 450051876 /nfs/dbraw/zinc/05/18/76/450051876.db2.gz MHLJJRGYJFFAIY-WJFTUGDTSA-N 2 0 348.535 1.534 20 0 EDADRP CSC1(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)CC[NH+](C)CC1 ZINC000603431578 450300207 /nfs/dbraw/zinc/30/02/07/450300207.db2.gz LYHMLICRSATPCT-UHFFFAOYSA-N 2 0 328.526 1.549 20 0 EDADRP C[N@H+](CCOC1CCOCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000625343946 450305336 /nfs/dbraw/zinc/30/53/36/450305336.db2.gz ODZKABINZLXGHN-HXUWFJFHSA-N 2 0 348.487 1.751 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620772041 450541417 /nfs/dbraw/zinc/54/14/17/450541417.db2.gz KVMLVVVHQIXZFK-FUHWJXTLSA-N 2 0 331.460 1.345 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623632420 450555724 /nfs/dbraw/zinc/55/57/24/450555724.db2.gz ZWQOXGAFMPQBTB-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)ccn1 ZINC000623782001 450582849 /nfs/dbraw/zinc/58/28/49/450582849.db2.gz FQQCWASVNUVEAD-CEXWTWQISA-N 2 0 330.476 1.499 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627310154 450639456 /nfs/dbraw/zinc/63/94/56/450639456.db2.gz JVSVIXBTIKGKQA-WMLDXEAASA-N 2 0 346.475 1.011 20 0 EDADRP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1 ZINC000624085820 450700765 /nfs/dbraw/zinc/70/07/65/450700765.db2.gz FAKYIODJPSQGEK-UXLLHSPISA-N 2 0 333.480 1.376 20 0 EDADRP C[NH+](C)Cc1ccccc1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631679331 450711644 /nfs/dbraw/zinc/71/16/44/450711644.db2.gz WPEGOFHTVLQKNK-UHFFFAOYSA-N 2 0 339.505 1.654 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)CC[N@@H+]1C ZINC000633157456 450716760 /nfs/dbraw/zinc/71/67/60/450716760.db2.gz QWMDOPGJRPQCMC-OKZBNKHCSA-N 2 0 331.460 1.922 20 0 EDADRP COC[C@@H](C)[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629590424 450753126 /nfs/dbraw/zinc/75/31/26/450753126.db2.gz ZBHRMTMNEFJFHD-VQIMIIECSA-N 2 0 345.487 1.833 20 0 EDADRP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C[NH3+] ZINC000631838973 450807124 /nfs/dbraw/zinc/80/71/24/450807124.db2.gz XTIPTOMRGSWKNR-VQIMIIECSA-N 2 0 344.503 1.425 20 0 EDADRP [NH3+][C@]12CCC[C@@H]1CN(C(=O)[C@H]1CCC[N@H+](Cc3cccnc3)C1)C2 ZINC000621693087 450836699 /nfs/dbraw/zinc/83/66/99/450836699.db2.gz TZHFBBZVCQYCDD-SCTDSRPQSA-N 2 0 328.460 1.633 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000633417147 450839510 /nfs/dbraw/zinc/83/95/10/450839510.db2.gz MLPNRMUZWNYQIW-VQIMIIECSA-N 2 0 344.503 1.958 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CCC1 ZINC000629956700 450915259 /nfs/dbraw/zinc/91/52/59/450915259.db2.gz ANHHDBRKHLFAIH-UHFFFAOYSA-N 2 0 345.487 1.744 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635445195 450947556 /nfs/dbraw/zinc/94/75/56/450947556.db2.gz CILKTZCHENUHRH-ROUUACIJSA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C(F)(F)F ZINC000630092695 450990997 /nfs/dbraw/zinc/99/09/97/450990997.db2.gz RZJHYHOMBHXRGK-STQMWFEESA-N 2 0 333.398 1.848 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890765 450987628 /nfs/dbraw/zinc/98/76/28/450987628.db2.gz SCIBVWIUCMVGEH-UKRRQHHQSA-N 2 0 332.448 1.252 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000626920476 451003990 /nfs/dbraw/zinc/00/39/90/451003990.db2.gz BNKFCZBITMEQJA-OAHLLOKOSA-N 2 0 338.452 1.423 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000635527930 451024668 /nfs/dbraw/zinc/02/46/68/451024668.db2.gz XWVXGGSCNOVEBQ-HFTRVMKXSA-N 2 0 346.475 1.963 20 0 EDADRP C[N@H+](CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1)CC(C)(C)C ZINC000635534729 451030504 /nfs/dbraw/zinc/03/05/04/451030504.db2.gz HUKSXAMGMWPRBZ-QGZVFWFLSA-N 2 0 338.540 1.593 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000626970898 451042087 /nfs/dbraw/zinc/04/20/87/451042087.db2.gz VVUIIIUZFYNJKF-RDJZCZTQSA-N 2 0 348.491 1.609 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000626991086 451056300 /nfs/dbraw/zinc/05/63/00/451056300.db2.gz BVCWKPSVWAHTIK-GJZGRUSLSA-N 2 0 340.855 1.230 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635559698 451057933 /nfs/dbraw/zinc/05/79/33/451057933.db2.gz HURLCBVYZXJCFT-UHFFFAOYSA-N 2 0 336.524 1.396 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635561293 451059334 /nfs/dbraw/zinc/05/93/34/451059334.db2.gz CZWCPZCJEQLKRQ-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000626995512 451060554 /nfs/dbraw/zinc/06/05/54/451060554.db2.gz VPPQNJPIXFIOKK-AEFFLSMTSA-N 2 0 348.491 1.704 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626997543 451062966 /nfs/dbraw/zinc/06/29/66/451062966.db2.gz AMHFZLLLQCQKGV-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000627002974 451068263 /nfs/dbraw/zinc/06/82/63/451068263.db2.gz ZGZPVEYDLQGXPZ-HZMVEIRTSA-N 2 0 338.496 1.194 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011584 451075558 /nfs/dbraw/zinc/07/55/58/451075558.db2.gz DZCUGECSAVTRJY-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627013755 451078221 /nfs/dbraw/zinc/07/82/21/451078221.db2.gz RDHYPNJDENAGBX-WMZOPIPTSA-N 2 0 348.491 1.384 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000627017370 451081655 /nfs/dbraw/zinc/08/16/55/451081655.db2.gz GXRVATRQGNWYHU-BGYRXZFFSA-N 2 0 344.503 1.932 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627023485 451086935 /nfs/dbraw/zinc/08/69/35/451086935.db2.gz VTNFTSLLHHTIJP-QGZVFWFLSA-N 2 0 334.464 1.173 20 0 EDADRP CN(CCOCC[NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627083066 451116049 /nfs/dbraw/zinc/11/60/49/451116049.db2.gz OAJRZYFKXWNTJK-QGZVFWFLSA-N 2 0 330.432 1.456 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635678147 451161966 /nfs/dbraw/zinc/16/19/66/451161966.db2.gz ZKHLVJAZKNCBAA-MRXNPFEDSA-N 2 0 325.497 1.439 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)CCCO1 ZINC000622556830 451169478 /nfs/dbraw/zinc/16/94/78/451169478.db2.gz QNCQVPZKSXSGNR-OAHLLOKOSA-N 2 0 334.464 1.374 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627188901 451175629 /nfs/dbraw/zinc/17/56/29/451175629.db2.gz CZTSVDMRZXBMKP-HUUCEWRRSA-N 2 0 340.855 1.230 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627209166 451187536 /nfs/dbraw/zinc/18/75/36/451187536.db2.gz DAZVKODMIJESKX-SJWGOKEGSA-N 2 0 334.439 1.792 20 0 EDADRP Cc1ncc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)o1 ZINC000628277813 451207791 /nfs/dbraw/zinc/20/77/91/451207791.db2.gz KPWCYJFYZVVMJF-UHFFFAOYSA-N 2 0 334.464 1.797 20 0 EDADRP COC[C@]1(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCCC[NH2+]1 ZINC000638083422 451248427 /nfs/dbraw/zinc/24/84/27/451248427.db2.gz LNHFNDUZHVYQAW-HPFXQQBRSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638084996 451249353 /nfs/dbraw/zinc/24/93/53/451249353.db2.gz WIEUOJJDAULRCT-AYBZRNKSSA-N 2 0 331.460 1.694 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2oc(C[NH3+])cc2C)[C@@H](C)C1 ZINC000638118270 451286547 /nfs/dbraw/zinc/28/65/47/451286547.db2.gz WJQLECZNKFEYJG-GOEBONIOSA-N 2 0 337.464 1.914 20 0 EDADRP COC[C@]1(C(=O)NCCCCC[NH+]2CCCCC2)CCCC[NH2+]1 ZINC000638114573 451282700 /nfs/dbraw/zinc/28/27/00/451282700.db2.gz XOWVCDXJULEZJQ-SFHVURJKSA-N 2 0 325.497 1.918 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CCOCC1)c1ccccc1 ZINC000638115297 451283461 /nfs/dbraw/zinc/28/34/61/451283461.db2.gz GUBYLJHUPOTZOM-HYVNUMGLSA-N 2 0 347.459 1.119 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136709 451309736 /nfs/dbraw/zinc/30/97/36/451309736.db2.gz LOEJQMWSPJOLSG-QGZVFWFLSA-N 2 0 328.460 1.810 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000638136893 451310632 /nfs/dbraw/zinc/31/06/32/451310632.db2.gz OWTTWUOIMORXPM-MJGOQNOKSA-N 2 0 346.475 1.140 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000638166454 451332160 /nfs/dbraw/zinc/33/21/60/451332160.db2.gz XCEUXJQCTMCHJE-MHORFTMASA-N 2 0 330.476 1.032 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638210010 451355448 /nfs/dbraw/zinc/35/54/48/451355448.db2.gz ZTBNDRRYRVLTRC-WMZOPIPTSA-N 2 0 344.503 1.627 20 0 EDADRP O=C(C[C@H](n1ccnc1)C(F)(F)F)N[C@H]1CCc2cncn2C1 ZINC000635919285 451362932 /nfs/dbraw/zinc/36/29/32/451362932.db2.gz ZELNITLBROELBD-JQWIXIFHSA-N 2 0 327.310 1.704 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000638246021 451379286 /nfs/dbraw/zinc/37/92/86/451379286.db2.gz HKYIROXWLJZAJL-UBHSHLNASA-N 2 0 327.350 1.916 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000638256770 451383422 /nfs/dbraw/zinc/38/34/22/451383422.db2.gz RZWFMZPLSQRVQL-GOSISDBHSA-N 2 0 326.444 1.804 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000634457328 451348210 /nfs/dbraw/zinc/34/82/10/451348210.db2.gz WHSDJDWNJBEDTH-HKUYNNGSSA-N 2 0 345.487 1.654 20 0 EDADRP C[C@@]1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638273886 451393111 /nfs/dbraw/zinc/39/31/11/451393111.db2.gz BXUMNLBTCLSTDS-FQEVSTJZSA-N 2 0 345.487 1.532 20 0 EDADRP C[C@]1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638273888 451393449 /nfs/dbraw/zinc/39/34/49/451393449.db2.gz BXUMNLBTCLSTDS-HXUWFJFHSA-N 2 0 345.487 1.532 20 0 EDADRP CO[C@@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000638290787 451407295 /nfs/dbraw/zinc/40/72/95/451407295.db2.gz JOUQQUUNICVFGC-UXHICEINSA-N 2 0 347.503 1.445 20 0 EDADRP C[NH+](C)[C@@H](CNC1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000638302355 451417867 /nfs/dbraw/zinc/41/78/67/451417867.db2.gz TZVQSMSHQGHPLZ-LJQANCHMSA-N 2 0 333.520 1.984 20 0 EDADRP C[C@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CC[N@@H+]1CC(C)(C)O ZINC000640572059 451418031 /nfs/dbraw/zinc/41/80/31/451418031.db2.gz BZCJLNUCJDMJKI-AWEZNQCLSA-N 2 0 349.479 1.452 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000638309894 451423887 /nfs/dbraw/zinc/42/38/87/451423887.db2.gz QLNIOUQXGIGRDJ-NJAFHUGGSA-N 2 0 331.460 1.508 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000630840180 451431391 /nfs/dbraw/zinc/43/13/91/451431391.db2.gz YQCVSWJPNWDDNG-GOSISDBHSA-N 2 0 343.475 1.786 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638329886 451437498 /nfs/dbraw/zinc/43/74/98/451437498.db2.gz QEDPHCPXURRLAZ-WZGPROSRSA-N 2 0 345.487 1.910 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)c1 ZINC000638346042 451449415 /nfs/dbraw/zinc/44/94/15/451449415.db2.gz YKMHHANFDUHGMG-OALUTQOASA-N 2 0 339.439 1.738 20 0 EDADRP CC[NH2+][C@H](C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000638356983 451456841 /nfs/dbraw/zinc/45/68/41/451456841.db2.gz SDRYDTZUCFNYLC-CYBMUJFWSA-N 2 0 333.480 1.581 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnc(N)nc3N)cc2)C1 ZINC000638364003 451461920 /nfs/dbraw/zinc/46/19/20/451461920.db2.gz VCEXWQJVZVGLSN-AWEZNQCLSA-N 2 0 340.475 1.823 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638365829 451463159 /nfs/dbraw/zinc/46/31/59/451463159.db2.gz IUPPDJCRZQKXGU-ZDUSSCGKSA-N 2 0 329.466 1.529 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000634682674 451463594 /nfs/dbraw/zinc/46/35/94/451463594.db2.gz YKPBHZANUCPXFE-MSOLQXFVSA-N 2 0 347.503 1.823 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000638400145 451487698 /nfs/dbraw/zinc/48/76/98/451487698.db2.gz VWAYCCCXUHDRRA-AEFFLSMTSA-N 2 0 347.459 1.408 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000630866912 451447669 /nfs/dbraw/zinc/44/76/69/451447669.db2.gz NVAKRPZSUCWRIP-UHFFFAOYSA-N 2 0 345.447 1.637 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cn1 ZINC000638344252 451447771 /nfs/dbraw/zinc/44/77/71/451447771.db2.gz SAYVGZPCZBRXJY-DLBZAZTESA-N 2 0 345.422 1.151 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1F ZINC000638411580 451497364 /nfs/dbraw/zinc/49/73/64/451497364.db2.gz JPQWGJDZXXYAOA-QRTARXTBSA-N 2 0 349.450 1.738 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1)[NH+](C)C ZINC000638413600 451499851 /nfs/dbraw/zinc/49/98/51/451499851.db2.gz AWVMKKAZWPIMNG-FVQBIDKESA-N 2 0 337.439 1.736 20 0 EDADRP OCCC[N@@H+]1CCC[C@@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720266 451500437 /nfs/dbraw/zinc/50/04/37/451500437.db2.gz HPQJDAYCJZWOSG-UXHICEINSA-N 2 0 347.503 1.060 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000638481209 451534957 /nfs/dbraw/zinc/53/49/57/451534957.db2.gz IVVYFXOKQACDEO-HCXYKTFWSA-N 2 0 327.472 1.821 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cn2)CC1 ZINC000631048080 451551933 /nfs/dbraw/zinc/55/19/33/451551933.db2.gz WGGNHKMQKLNGPM-UHFFFAOYSA-N 2 0 327.432 1.614 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000638526179 451558752 /nfs/dbraw/zinc/55/87/52/451558752.db2.gz GKRRQTAIWIJRCW-LPHOPBHVSA-N 2 0 344.459 1.306 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631063272 451562553 /nfs/dbraw/zinc/56/25/53/451562553.db2.gz JSRURZDHNHPKLA-HNNXBMFYSA-N 2 0 340.537 1.695 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638613519 451607014 /nfs/dbraw/zinc/60/70/14/451607014.db2.gz XVOACPNTNGTTLB-GBESFXJTSA-N 2 0 343.471 1.249 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000638639794 451625419 /nfs/dbraw/zinc/62/54/19/451625419.db2.gz NLVXCQLADXWDPC-FUHWJXTLSA-N 2 0 344.503 1.627 20 0 EDADRP O=C1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCN1 ZINC000638717653 451664466 /nfs/dbraw/zinc/66/44/66/451664466.db2.gz AHCRTSXAISGUDP-QGZVFWFLSA-N 2 0 331.460 1.402 20 0 EDADRP O=S1(=O)CCC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000634974478 451632772 /nfs/dbraw/zinc/63/27/72/451632772.db2.gz BQZZTRVUGSEBJU-MRXNPFEDSA-N 2 0 337.489 1.855 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638653527 451632893 /nfs/dbraw/zinc/63/28/93/451632893.db2.gz LITZYJJDFXJFFI-NVXWUHKLSA-N 2 0 339.528 1.314 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000632914313 451648049 /nfs/dbraw/zinc/64/80/49/451648049.db2.gz KNYUWDPUGOASQI-JYJNAYRXSA-N 2 0 326.485 1.255 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCn2c(=O)[nH]c3ccccc32)CC1 ZINC000638723891 451666043 /nfs/dbraw/zinc/66/60/43/451666043.db2.gz BXHIFAZARMCBAQ-UHFFFAOYSA-N 2 0 332.448 1.567 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638803815 451696025 /nfs/dbraw/zinc/69/60/25/451696025.db2.gz PJRAHJFQXIPNOJ-CVEARBPZSA-N 2 0 337.414 1.870 20 0 EDADRP Cn1ncnc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638831441 451704491 /nfs/dbraw/zinc/70/44/91/451704491.db2.gz LHIPBLRFERJALC-UHFFFAOYSA-N 2 0 329.448 1.622 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442783 451709771 /nfs/dbraw/zinc/70/97/71/451709771.db2.gz TXEYYLSZHJGEIL-QZTJIDSGSA-N 2 0 346.475 1.189 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000638860755 451713506 /nfs/dbraw/zinc/71/35/06/451713506.db2.gz FKIHJSZICHNZSQ-UHFFFAOYSA-N 2 0 346.479 1.293 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638727687 451667981 /nfs/dbraw/zinc/66/79/81/451667981.db2.gz ITQBTKACIMUDHN-UHFFFAOYSA-N 2 0 335.448 1.764 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000638979803 451744897 /nfs/dbraw/zinc/74/48/97/451744897.db2.gz IPRNCXBCXKJFPK-OAHLLOKOSA-N 2 0 348.495 1.539 20 0 EDADRP O=C(Cc1cnn2c1CCCC2)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983428 451745621 /nfs/dbraw/zinc/74/56/21/451745621.db2.gz HSOCRYTZTSQPDB-UHFFFAOYSA-N 2 0 340.431 1.205 20 0 EDADRP [NH3+][C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1cccc(Cl)c1 ZINC000638986933 451747265 /nfs/dbraw/zinc/74/72/65/451747265.db2.gz IIOZXGOWEQZQSV-INIZCTEOSA-N 2 0 345.834 1.783 20 0 EDADRP CC(C)(C)[C@H]([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229457 451790796 /nfs/dbraw/zinc/79/07/96/451790796.db2.gz ITIRXEQGHMMEEZ-MJGOQNOKSA-N 2 0 343.475 1.961 20 0 EDADRP CC[NH+](CC)CCNS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641249126 451793634 /nfs/dbraw/zinc/79/36/34/451793634.db2.gz GQFGVKLGZAFICN-UHFFFAOYSA-N 2 0 325.478 1.295 20 0 EDADRP C[N@@H+]1CCCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639346198 451838250 /nfs/dbraw/zinc/83/82/50/451838250.db2.gz DPRDFARFUMGMFT-CQSZACIVSA-N 2 0 331.526 1.558 20 0 EDADRP O[C@]1(CN2CC[NH+](C3CCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639488549 451897356 /nfs/dbraw/zinc/89/73/56/451897356.db2.gz JVCPMMJMTJOECW-FQEVSTJZSA-N 2 0 329.488 1.794 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1C ZINC000637428161 451849663 /nfs/dbraw/zinc/84/96/63/451849663.db2.gz AKYDVLCCIRSSAC-GOSISDBHSA-N 2 0 347.507 1.948 20 0 EDADRP C[NH+](C)C1(CNc2ncc(C3CC3)c(NCC3([NH+](C)C)CC3)n2)CC1 ZINC000642310867 451857917 /nfs/dbraw/zinc/85/79/17/451857917.db2.gz IUTMCDCYMMARIM-UHFFFAOYSA-N 2 0 344.507 2.366 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)COc3ccccc3)C2)CC1 ZINC000644561698 451862799 /nfs/dbraw/zinc/86/27/99/451862799.db2.gz FIHMLPBRBSIGNJ-AEFFLSMTSA-N 2 0 333.476 1.184 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000649132170 451866645 /nfs/dbraw/zinc/86/66/45/451866645.db2.gz OJVYASYUEPJLEX-UHFFFAOYSA-N 2 0 331.460 1.685 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000644584124 451878038 /nfs/dbraw/zinc/87/80/38/451878038.db2.gz HOWWTARGIKZIGN-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000642687228 451916860 /nfs/dbraw/zinc/91/68/60/451916860.db2.gz FEZAOFRCYWHXMD-OAHLLOKOSA-N 2 0 346.475 1.142 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000642687227 451917389 /nfs/dbraw/zinc/91/73/89/451917389.db2.gz FEZAOFRCYWHXMD-HNNXBMFYSA-N 2 0 346.475 1.142 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[NH+]1CCCC1 ZINC000649278178 451949605 /nfs/dbraw/zinc/94/96/05/451949605.db2.gz RDIVVJKKWCJKAI-MRXNPFEDSA-N 2 0 347.459 1.327 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916770 451935431 /nfs/dbraw/zinc/93/54/31/451935431.db2.gz QGBIVKCCYYYPEC-IEBWSBKVSA-N 2 0 342.487 1.361 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646940521 451956588 /nfs/dbraw/zinc/95/65/88/451956588.db2.gz HNQWOVYZHILEIZ-PKOBYXMFSA-N 2 0 333.476 1.295 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(N)CC[NH+](C)C2)C1 ZINC000649288426 451961857 /nfs/dbraw/zinc/96/18/57/451961857.db2.gz PIBCTQPRNNTBTK-JXFKEZNVSA-N 2 0 344.503 1.568 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649287927 451961898 /nfs/dbraw/zinc/96/18/98/451961898.db2.gz OQSVJZDRXMGMQS-QGZVFWFLSA-N 2 0 331.460 1.312 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C[C@@H](C)O1 ZINC000649288540 451963276 /nfs/dbraw/zinc/96/32/76/451963276.db2.gz YFSIEORBXCJRQX-PXHWLCEJSA-N 2 0 343.471 1.662 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000649292981 451969184 /nfs/dbraw/zinc/96/91/84/451969184.db2.gz RTUOYDZPFCLTCJ-NVXWUHKLSA-N 2 0 348.495 1.270 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000649294193 451971130 /nfs/dbraw/zinc/97/11/30/451971130.db2.gz BNPOWCWOUDRFMJ-SFHVURJKSA-N 2 0 325.497 1.726 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000649304980 451982326 /nfs/dbraw/zinc/98/23/26/451982326.db2.gz UCIKFMCZZWEURW-AEFFLSMTSA-N 2 0 341.459 1.012 20 0 EDADRP COC[C@@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000649306736 451983190 /nfs/dbraw/zinc/98/31/90/451983190.db2.gz LVCGYDVTQZASAB-LJQANCHMSA-N 2 0 333.476 1.912 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307423 451984364 /nfs/dbraw/zinc/98/43/64/451984364.db2.gz OKWWMARVAQJFRV-IEZWGBDMSA-N 2 0 331.460 1.707 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[NH2+]CCOC1 ZINC000649307794 451985464 /nfs/dbraw/zinc/98/54/64/451985464.db2.gz KVBSAQZUSDQXGV-SFHVURJKSA-N 2 0 331.460 1.251 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649334707 452016954 /nfs/dbraw/zinc/01/69/54/452016954.db2.gz CZJWPQKCOPKCGZ-NXHRZFHOSA-N 2 0 347.507 1.412 20 0 EDADRP COC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649347030 452029979 /nfs/dbraw/zinc/02/99/79/452029979.db2.gz BACASPSKOFBIOT-VQIMIIECSA-N 2 0 333.476 1.782 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)C3(C[NH3+])CCOCC3)c2)CC1 ZINC000649351729 452034869 /nfs/dbraw/zinc/03/48/69/452034869.db2.gz MOOHWFSAFMJCFS-UHFFFAOYSA-N 2 0 346.475 1.128 20 0 EDADRP C[C@H](CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000649351559 452034959 /nfs/dbraw/zinc/03/49/59/452034959.db2.gz AUBUIHUEVIVNOC-OAHLLOKOSA-N 2 0 345.491 1.798 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[C@@H]1[NH3+] ZINC000649358726 452040203 /nfs/dbraw/zinc/04/02/03/452040203.db2.gz ANJUEASMZLNMFI-MJGOQNOKSA-N 2 0 344.503 1.633 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000647093027 452055728 /nfs/dbraw/zinc/05/57/28/452055728.db2.gz AKIXKJDZSJCQJS-BBRMVZONSA-N 2 0 331.464 1.337 20 0 EDADRP CN(C[C@H]1CCC[NH+]1C)c1nccnc1N(C)C[C@H]1CCC[N@@H+]1C ZINC000643197846 452064497 /nfs/dbraw/zinc/06/44/97/452064497.db2.gz DPURJPWMOJKSNS-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@@]1(O)CCC[NH+](Cc2cncc(C[N@H+]3CCC[C@@](C)(O)C3)c2)C1 ZINC000649404986 452070163 /nfs/dbraw/zinc/07/01/63/452070163.db2.gz YIXFALUIVJETJJ-RTBURBONSA-N 2 0 333.476 1.775 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)CCC[NH3+])CC1 ZINC000649410027 452073581 /nfs/dbraw/zinc/07/35/81/452073581.db2.gz ISVUDJQROYBYOL-UHFFFAOYSA-N 2 0 332.492 1.310 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000649411536 452074412 /nfs/dbraw/zinc/07/44/12/452074412.db2.gz CBXCQXGSEHGPGU-UHFFFAOYSA-N 2 0 344.503 1.325 20 0 EDADRP OC[C@H](c1ccc(Cl)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649413186 452075692 /nfs/dbraw/zinc/07/56/92/452075692.db2.gz ORXNAQLHCSUENT-MAUKXSAKSA-N 2 0 337.895 1.991 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCO[C@@H]4CCCC[C@H]43)C2)CC1 ZINC000639758639 452098047 /nfs/dbraw/zinc/09/80/47/452098047.db2.gz WUMHEFSVFADEHL-IAGOWNOFSA-N 2 0 335.492 1.574 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637823533 452102027 /nfs/dbraw/zinc/10/20/27/452102027.db2.gz RKNHDZYIWOIHCI-NLWGTHIKSA-N 2 0 343.471 1.332 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CC[NH2+]1 ZINC000637842517 452111580 /nfs/dbraw/zinc/11/15/80/452111580.db2.gz QVKWYRPPAYKZFI-AYOQOUSVSA-N 2 0 327.472 1.965 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645015360 452115096 /nfs/dbraw/zinc/11/50/96/452115096.db2.gz TUSFGWIOXYIIHL-KRWDZBQOSA-N 2 0 326.404 1.827 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000637856108 452116602 /nfs/dbraw/zinc/11/66/02/452116602.db2.gz WEFINIWXAQWWKI-GOSISDBHSA-N 2 0 333.476 1.994 20 0 EDADRP C[N@H+](CCN1CCN(C[C@@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000649524628 452124495 /nfs/dbraw/zinc/12/44/95/452124495.db2.gz PYZNFBFSEXUKKS-FQEVSTJZSA-N 2 0 330.520 1.830 20 0 EDADRP Cc1cncc(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000649571774 452150159 /nfs/dbraw/zinc/15/01/59/452150159.db2.gz WIKOJOHTRQBDQV-UHFFFAOYSA-N 2 0 331.508 1.818 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645113062 452158391 /nfs/dbraw/zinc/15/83/91/452158391.db2.gz XBLDAWYRHRWDRB-JQHSSLGASA-N 2 0 335.492 1.620 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CCCC1 ZINC000645115884 452161358 /nfs/dbraw/zinc/16/13/58/452161358.db2.gz YLVRGFBAWIRJTN-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC[C@H]2CCO2)CC1 ZINC000637967487 452213441 /nfs/dbraw/zinc/21/34/41/452213441.db2.gz SDOUHQSMAONJMM-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP O=S1(=O)CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643468700 452236160 /nfs/dbraw/zinc/23/61/60/452236160.db2.gz IQUFPVVBNVGXDF-ARFHVFGLSA-N 2 0 329.510 1.312 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659428125 452271028 /nfs/dbraw/zinc/27/10/28/452271028.db2.gz XCOVZSMJIQEKKG-WMLDXEAASA-N 2 0 334.464 1.739 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488173 452284381 /nfs/dbraw/zinc/28/43/81/452284381.db2.gz VCTVVRPSLYVIJV-AFIMGQEJSA-N 2 0 331.460 1.487 20 0 EDADRP C[C@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000645306955 452285324 /nfs/dbraw/zinc/28/53/24/452285324.db2.gz ZKPRCUYWDQEIIL-HNNXBMFYSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522075 452289752 /nfs/dbraw/zinc/28/97/52/452289752.db2.gz HMOYAGMSZUQABU-AAEUAGOBSA-N 2 0 328.254 1.731 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000652119648 452315444 /nfs/dbraw/zinc/31/54/44/452315444.db2.gz QATBJAAPDIEVOG-SFHVURJKSA-N 2 0 330.476 1.950 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652120243 452315467 /nfs/dbraw/zinc/31/54/67/452315467.db2.gz BNDDRYRGNDVCNY-JZXOWHBKSA-N 2 0 338.496 1.114 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)[NH+](C)C)c1 ZINC000638050837 452322746 /nfs/dbraw/zinc/32/27/46/452322746.db2.gz RXUKADBTVAANTO-SOLBZPMBSA-N 2 0 335.448 1.181 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000638052125 452325692 /nfs/dbraw/zinc/32/56/92/452325692.db2.gz XPHJWJDAZDJCQY-SJLPKXTDSA-N 2 0 329.444 1.996 20 0 EDADRP CO[C@@H]1C[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002296 452333505 /nfs/dbraw/zinc/33/35/05/452333505.db2.gz XLKKLKFNZNFPKM-ZCNNSNEGSA-N 2 0 348.487 1.749 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000659482806 452341100 /nfs/dbraw/zinc/34/11/00/452341100.db2.gz TZRJZUSQFNJOAP-YDZRNGNQSA-N 2 0 342.487 1.948 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000652154821 452347700 /nfs/dbraw/zinc/34/77/00/452347700.db2.gz PGNPTFYEKYCOSA-UHFFFAOYSA-N 2 0 347.507 1.233 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638059166 452348634 /nfs/dbraw/zinc/34/86/34/452348634.db2.gz GAQYOMROWTWXNA-JKIFEVAISA-N 2 0 335.448 1.311 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638062992 452359236 /nfs/dbraw/zinc/35/92/36/452359236.db2.gz KWOSWTSCSKVRJC-WMZOPIPTSA-N 2 0 335.448 1.010 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652178165 452371930 /nfs/dbraw/zinc/37/19/30/452371930.db2.gz FFTQGVKRQXTJBZ-RDJZCZTQSA-N 2 0 326.485 1.115 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCC[NH2+]C1 ZINC000659509841 452374325 /nfs/dbraw/zinc/37/43/25/452374325.db2.gz ITYMWWMIQCJANW-OXXUSNJHSA-N 2 0 348.466 1.959 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@H]1CCC[NH2+]C1 ZINC000659511482 452375894 /nfs/dbraw/zinc/37/58/94/452375894.db2.gz QGWVFXQWZHBTMQ-ROUUACIJSA-N 2 0 346.475 1.052 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638072080 452381158 /nfs/dbraw/zinc/38/11/58/452381158.db2.gz PNHQYKANQHPWDA-AWEZNQCLSA-N 2 0 347.381 1.790 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)CN2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000638077530 452390097 /nfs/dbraw/zinc/39/00/97/452390097.db2.gz TZPBHWXRLBMYBN-LJQANCHMSA-N 2 0 344.503 1.481 20 0 EDADRP CC1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[NH2+]CC1 ZINC000659530946 452392950 /nfs/dbraw/zinc/39/29/50/452392950.db2.gz WFWPSAHSVFIULZ-IAGOWNOFSA-N 2 0 348.466 1.960 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@@H]1CCC[NH2+]C1 ZINC000652202450 452400586 /nfs/dbraw/zinc/40/05/86/452400586.db2.gz KGUFVVVCSKSHMY-NNXHMXCWSA-N 2 0 338.496 1.302 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000645434982 452405020 /nfs/dbraw/zinc/40/50/20/452405020.db2.gz WQQYFSDYMDLBFH-KRWDZBQOSA-N 2 0 332.492 1.609 20 0 EDADRP [NH3+]CC1(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000645452648 452421566 /nfs/dbraw/zinc/42/15/66/452421566.db2.gz RNWBWVQTOPQNPB-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000652235375 452424328 /nfs/dbraw/zinc/42/43/28/452424328.db2.gz CWQHVNFJGDSDIC-UHFFFAOYSA-N 2 0 333.436 1.051 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659580834 452435348 /nfs/dbraw/zinc/43/53/48/452435348.db2.gz FVDGKJQGZZMZSW-SQNIBIBYSA-N 2 0 346.450 1.807 20 0 EDADRP [NH3+]CC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659588029 452443488 /nfs/dbraw/zinc/44/34/88/452443488.db2.gz CGJHVGRXWBAMAB-IAGOWNOFSA-N 2 0 334.439 1.652 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000652268820 452457690 /nfs/dbraw/zinc/45/76/90/452457690.db2.gz MXCQFPXHJRDCKP-HOCLYGCPSA-N 2 0 334.439 1.816 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000663773299 452500767 /nfs/dbraw/zinc/50/07/67/452500767.db2.gz FFIAEWZZLXLSOG-BZUAXINKSA-N 2 0 336.480 1.023 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000652338711 452508780 /nfs/dbraw/zinc/50/87/80/452508780.db2.gz RQVYAVRQWDNVBK-INIZCTEOSA-N 2 0 340.855 1.356 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786185 452520534 /nfs/dbraw/zinc/52/05/34/452520534.db2.gz JXANWNZICYCDAJ-QHAWAJNXSA-N 3 0 342.531 1.912 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc[nH+]1 ZINC000647789028 452522872 /nfs/dbraw/zinc/52/28/72/452522872.db2.gz XABYZVZLBDLCLT-GUDVDZBRSA-N 3 0 343.519 1.571 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccc(F)cc1 ZINC000647794911 452526075 /nfs/dbraw/zinc/52/60/75/452526075.db2.gz FRYVAHYTMRUBHB-CWLKWCNXSA-N 2 0 331.435 1.904 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000654473720 452540781 /nfs/dbraw/zinc/54/07/81/452540781.db2.gz UAMFLICLRBUDRQ-INMHGKMJSA-N 2 0 340.537 1.740 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000652360185 452541868 /nfs/dbraw/zinc/54/18/68/452541868.db2.gz CGHMRMWXICGPSA-BBWFWOEESA-N 2 0 325.497 1.993 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363570 452544170 /nfs/dbraw/zinc/54/41/70/452544170.db2.gz IFBPJFGDEJVHNR-JAZQRGJZSA-N 3 0 347.503 1.278 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CN(CC(C)C)CCO1 ZINC000657824218 452552823 /nfs/dbraw/zinc/55/28/23/452552823.db2.gz DVYMAIHUPSTJLV-ZWKOTPCHSA-N 2 0 328.497 1.765 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CCCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000647825670 452561033 /nfs/dbraw/zinc/56/10/33/452561033.db2.gz BZZFQAKLWFRDPO-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCCCCC1 ZINC000659685875 452561100 /nfs/dbraw/zinc/56/11/00/452561100.db2.gz UXHVYYABQSGPDO-OAHLLOKOSA-N 2 0 340.512 1.199 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000659688889 452566040 /nfs/dbraw/zinc/56/60/40/452566040.db2.gz NLIJWJUTMUNHFG-OAHLLOKOSA-N 2 0 338.496 1.095 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCn3ccnc32)(N2CCOCC2)CC1 ZINC000655777239 452571961 /nfs/dbraw/zinc/57/19/61/452571961.db2.gz QKILZTSPWJKEIC-INIZCTEOSA-N 2 0 333.480 1.104 20 0 EDADRP COc1c(C)cccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000654508475 452583502 /nfs/dbraw/zinc/58/35/02/452583502.db2.gz GBITVRPHCCTNJD-UHFFFAOYSA-N 2 0 348.491 1.829 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCn3nccc32)cc1 ZINC000657919902 452612406 /nfs/dbraw/zinc/61/24/06/452612406.db2.gz SCIQCVOEXCYCPA-QGZVFWFLSA-N 2 0 341.459 1.799 20 0 EDADRP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@@H]1C ZINC000652456958 452650157 /nfs/dbraw/zinc/65/01/57/452650157.db2.gz TZBINLZEWDYKQN-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)n1 ZINC000666185676 452670146 /nfs/dbraw/zinc/67/01/46/452670146.db2.gz RLDZPFKTCFCWHG-AWEZNQCLSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655922950 452687230 /nfs/dbraw/zinc/68/72/30/452687230.db2.gz VKBSVHUBXQHNDR-NSHDSACASA-N 2 0 338.399 1.711 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000661945386 452701092 /nfs/dbraw/zinc/70/10/92/452701092.db2.gz CXTUULQSFITHCA-SJORKVTESA-N 2 0 338.496 1.225 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000658074029 452716780 /nfs/dbraw/zinc/71/67/80/452716780.db2.gz BSUGYEWVSNJMAM-BDXSIMOUSA-N 2 0 328.497 1.765 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000658106776 452728763 /nfs/dbraw/zinc/72/87/63/452728763.db2.gz CFKWQLPXQMOBFX-INIZCTEOSA-N 2 0 334.512 1.307 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664034488 452732814 /nfs/dbraw/zinc/73/28/14/452732814.db2.gz WZFVYZSZOSBOFN-IRXDYDNUSA-N 3 0 341.544 1.432 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138426 452747055 /nfs/dbraw/zinc/74/70/55/452747055.db2.gz NEBMKPLALFZGTB-ROUUACIJSA-N 2 0 329.448 1.413 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000655971175 452751326 /nfs/dbraw/zinc/75/13/26/452751326.db2.gz VKPBQKZXVUTLBX-LJIZCISZSA-N 2 0 326.485 1.253 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH3+])Cc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971138 452752614 /nfs/dbraw/zinc/75/26/14/452752614.db2.gz TYKBODLLHLWWFD-ZACQAIPSSA-N 2 0 348.491 1.655 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)n1 ZINC000654698476 452819592 /nfs/dbraw/zinc/81/95/92/452819592.db2.gz KNDRYVOLCBEVNN-UHFFFAOYSA-N 2 0 325.376 1.278 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1CCCCC1 ZINC000652705253 452858551 /nfs/dbraw/zinc/85/85/51/452858551.db2.gz CLJVZOPYBIPGJN-HUUCEWRRSA-N 2 0 340.512 1.389 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)COC1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000648154048 452865787 /nfs/dbraw/zinc/86/57/87/452865787.db2.gz UYOFMFQVJOVRME-AWEZNQCLSA-N 2 0 325.840 1.437 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)Cc1cc(F)ccc1Cl ZINC000658381609 452898181 /nfs/dbraw/zinc/89/81/81/452898181.db2.gz VWUUDDHDYLELBI-UHFFFAOYSA-N 2 0 337.848 1.309 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000658402526 452922509 /nfs/dbraw/zinc/92/25/09/452922509.db2.gz QRKPKWOKOLWXEF-HNNXBMFYSA-N 2 0 337.489 1.701 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1)N1CCOCC1 ZINC000662249376 452975693 /nfs/dbraw/zinc/97/56/93/452975693.db2.gz UOHYKXNCVHCBAL-GOSISDBHSA-N 2 0 343.471 1.403 20 0 EDADRP COc1ccnc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC ZINC000662282160 453007739 /nfs/dbraw/zinc/00/77/39/453007739.db2.gz STEIEQCAFFFTLJ-WMLDXEAASA-N 2 0 335.448 1.817 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H]([NH3+])CCc3ccccc32)CC1 ZINC000662300954 453024470 /nfs/dbraw/zinc/02/44/70/453024470.db2.gz AIGCLEQNFGUDFI-QGZVFWFLSA-N 2 0 344.503 1.756 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315410 453033899 /nfs/dbraw/zinc/03/38/99/453033899.db2.gz FGRJMAJEBSNMCK-HOTGVXAUSA-N 2 0 334.464 1.425 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656309314 453047989 /nfs/dbraw/zinc/04/79/89/453047989.db2.gz OGWDOFHRQGPCHL-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCCC2)cc1 ZINC000662344241 453060504 /nfs/dbraw/zinc/06/05/04/453060504.db2.gz XDKKLNSBPJCVOE-ROUUACIJSA-N 2 0 349.475 1.701 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000666682977 453062646 /nfs/dbraw/zinc/06/26/46/453062646.db2.gz ONEDVTSMODTCCJ-UHFFFAOYSA-N 2 0 331.464 1.702 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000666682974 453062783 /nfs/dbraw/zinc/06/27/83/453062783.db2.gz OLCCKNJMDVCXCZ-GJZGRUSLSA-N 2 0 331.464 1.639 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H](O)COCc1cccs1)CCO2 ZINC000646103336 453104010 /nfs/dbraw/zinc/10/40/10/453104010.db2.gz OVSRRHABPCCKGK-OAHLLOKOSA-N 2 0 340.489 1.422 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662402988 453114483 /nfs/dbraw/zinc/11/44/83/453114483.db2.gz QQGYFEMAVXARJP-QLFBSQMISA-N 2 0 347.507 1.973 20 0 EDADRP [NH3+]CCOCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000646140211 453147867 /nfs/dbraw/zinc/14/78/67/453147867.db2.gz ALFOEYCEDQCWAY-LJQANCHMSA-N 2 0 331.460 1.476 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666804537 453158197 /nfs/dbraw/zinc/15/81/97/453158197.db2.gz RTPNHENSYSUSON-KRWDZBQOSA-N 2 0 346.475 1.855 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000662460100 453168794 /nfs/dbraw/zinc/16/87/94/453168794.db2.gz PYTPEWITJUZBKG-ULQDDVLXSA-N 2 0 325.497 1.852 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666837646 453181657 /nfs/dbraw/zinc/18/16/57/453181657.db2.gz HUQWFEXVQXOCSE-HNNXBMFYSA-N 2 0 332.448 1.274 20 0 EDADRP CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000664550024 453188062 /nfs/dbraw/zinc/18/80/62/453188062.db2.gz BEYWIOUCBRXRRI-INIZCTEOSA-N 2 0 349.479 1.258 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662482092 453197395 /nfs/dbraw/zinc/19/73/95/453197395.db2.gz SPBWSYKYIORLPN-AWEZNQCLSA-N 2 0 334.468 1.007 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000653018170 453205613 /nfs/dbraw/zinc/20/56/13/453205613.db2.gz QYECBIXMZVYBAX-KURKYZTESA-N 2 0 337.508 1.722 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662492431 453210240 /nfs/dbraw/zinc/21/02/40/453210240.db2.gz KDYHDGYTIREBEG-CABCVRRESA-N 2 0 332.448 1.840 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000646214764 453226419 /nfs/dbraw/zinc/22/64/19/453226419.db2.gz IZNKMLBCUKLETK-LSDHHAIUSA-N 2 0 336.480 1.894 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn(C2CCC2)nn1 ZINC000648781325 453263611 /nfs/dbraw/zinc/26/36/11/453263611.db2.gz BVBXKSADUDXCEM-UHFFFAOYSA-N 2 0 336.484 1.349 20 0 EDADRP O=C(COc1ccccc1C[NH2+][C@@H]1CC12CC[NH2+]CC2)N1CCCC1 ZINC000666953982 453278479 /nfs/dbraw/zinc/27/84/79/453278479.db2.gz MPSHTCYSOYIWBW-GOSISDBHSA-N 2 0 343.471 1.920 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000660422574 453295537 /nfs/dbraw/zinc/29/55/37/453295537.db2.gz WYGMYEBLZKKNOJ-GOSISDBHSA-N 2 0 330.476 1.854 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666978306 453298530 /nfs/dbraw/zinc/29/85/30/453298530.db2.gz WJVBGVXJAPNMOI-IAGOWNOFSA-N 2 0 338.496 1.364 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112855 453299252 /nfs/dbraw/zinc/29/92/52/453299252.db2.gz LEGGVYNAKNUQKL-QZTJIDSGSA-N 2 0 332.492 1.294 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000662573413 453299703 /nfs/dbraw/zinc/29/97/03/453299703.db2.gz BEZQXCNHDUTVCY-USXIJHARSA-N 2 0 325.497 1.742 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662575327 453301558 /nfs/dbraw/zinc/30/15/58/453301558.db2.gz RKUYPZPYYWJRTO-QZTJIDSGSA-N 2 0 329.444 1.648 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000653116763 453304708 /nfs/dbraw/zinc/30/47/08/453304708.db2.gz RTGZIMBLNLXOQZ-SFHVURJKSA-N 2 0 345.487 1.649 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662577146 453304896 /nfs/dbraw/zinc/30/48/96/453304896.db2.gz DRVSJFZMPSUKEE-CZUORRHYSA-N 2 0 331.464 1.337 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662577773 453305323 /nfs/dbraw/zinc/30/53/23/453305323.db2.gz FJIPDTAPJZIXTC-HNNXBMFYSA-N 2 0 333.480 1.581 20 0 EDADRP CN(C(=O)[C@]12C[NH2+]C[C@H]1COC2)C1CC[NH+](Cc2ccccc2)CC1 ZINC000653117489 453305860 /nfs/dbraw/zinc/30/58/60/453305860.db2.gz NGCFIQUGDOERPO-PXNSSMCTSA-N 2 0 343.471 1.345 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653154623 453344742 /nfs/dbraw/zinc/34/47/42/453344742.db2.gz XCLNWSMIEBPXKL-MSOLQXFVSA-N 2 0 332.492 1.388 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000660567928 453408510 /nfs/dbraw/zinc/40/85/10/453408510.db2.gz MIRPBNJOQBAGOT-GOSISDBHSA-N 2 0 344.503 1.754 20 0 EDADRP C[C@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1CC[NH3+] ZINC000653241230 453422904 /nfs/dbraw/zinc/42/29/04/453422904.db2.gz YTTIPBSSTAZNOW-DOTOQJQBSA-N 2 0 345.491 1.423 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000660587499 453429394 /nfs/dbraw/zinc/42/93/94/453429394.db2.gz STCUOGLXPHJBAQ-UHFFFAOYSA-N 2 0 347.507 1.933 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000667138255 453430288 /nfs/dbraw/zinc/43/02/88/453430288.db2.gz ZJNCWPRODMWHGE-HOTGVXAUSA-N 2 0 348.495 1.688 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662708779 453433043 /nfs/dbraw/zinc/43/30/43/453433043.db2.gz PEJRKPAKZZVQFC-AWEZNQCLSA-N 2 0 335.473 1.377 20 0 EDADRP COC[C@]1(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CCC[NH2+]1 ZINC000667148749 453438489 /nfs/dbraw/zinc/43/84/89/453438489.db2.gz UZZBTEWDVIBUMY-MRXNPFEDSA-N 2 0 330.392 1.157 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000667151395 453440577 /nfs/dbraw/zinc/44/05/77/453440577.db2.gz JKXPYDWXBXVODR-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662744943 453472451 /nfs/dbraw/zinc/47/24/51/453472451.db2.gz AWHVJBITEDDVCS-JKSUJKDBSA-N 2 0 348.495 1.397 20 0 EDADRP O=C(N1CCC(OCC[NH+]2CCCC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662747364 453476770 /nfs/dbraw/zinc/47/67/70/453476770.db2.gz URLNKSDAHMTYIJ-UHFFFAOYSA-N 2 0 335.492 1.765 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662748149 453477985 /nfs/dbraw/zinc/47/79/85/453477985.db2.gz MTYFRMGZLYKIAT-GOSISDBHSA-N 2 0 330.476 1.363 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654666 453489856 /nfs/dbraw/zinc/48/98/56/453489856.db2.gz HRMKZCRVHGOLFG-QUCCMNQESA-N 2 0 348.487 1.990 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662791765 453525211 /nfs/dbraw/zinc/52/52/11/453525211.db2.gz SLFDWXICDOABCK-UHFFFAOYSA-N 2 0 331.420 1.467 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000662803999 453539012 /nfs/dbraw/zinc/53/90/12/453539012.db2.gz AOBUJIVEVCZTGQ-QXCFHYIPSA-N 2 0 345.487 1.767 20 0 EDADRP CC[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000660786242 453574003 /nfs/dbraw/zinc/57/40/03/453574003.db2.gz IUPNKPBSMBVWFE-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]C1 ZINC000662860700 453576122 /nfs/dbraw/zinc/57/61/22/453576122.db2.gz UIAIKOBOVAJIBS-HKUYNNGSSA-N 2 0 331.460 1.259 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000662867199 453579649 /nfs/dbraw/zinc/57/96/49/453579649.db2.gz RUQDEHKJFZYAGR-ZMMAXQRCSA-N 2 0 329.444 1.257 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659020529 453583557 /nfs/dbraw/zinc/58/35/57/453583557.db2.gz MZMPGVVXRYRQBA-MRXNPFEDSA-N 2 0 345.447 1.102 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659038827 453593125 /nfs/dbraw/zinc/59/31/25/453593125.db2.gz VVUMEPFQZCGYAD-YOEHRIQHSA-N 2 0 332.448 1.763 20 0 EDADRP CN(C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900555 453593397 /nfs/dbraw/zinc/59/33/97/453593397.db2.gz NKGOMTJYXNTFKG-GBESFXJTSA-N 2 0 348.535 1.249 20 0 EDADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899877 453593713 /nfs/dbraw/zinc/59/37/13/453593713.db2.gz HJMCPVLGCGUXQZ-RTBURBONSA-N 2 0 344.503 1.703 20 0 EDADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900533 453594545 /nfs/dbraw/zinc/59/45/45/453594545.db2.gz NCKGAZIYTGDZTM-LJQANCHMSA-N 2 0 342.487 1.530 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000665232841 453617227 /nfs/dbraw/zinc/61/72/27/453617227.db2.gz VOUUSVHVBYVPJR-WDYCEAGBSA-N 2 0 336.476 1.593 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCO1 ZINC000665254715 453627255 /nfs/dbraw/zinc/62/72/55/453627255.db2.gz XWKWYEFXXNUCPJ-XHSDSOJGSA-N 2 0 326.485 1.079 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000665289779 453637431 /nfs/dbraw/zinc/63/74/31/453637431.db2.gz XBKANTXTTGHVOY-RCCFBDPRSA-N 3 0 336.524 1.439 20 0 EDADRP CC[N@@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@@H]1C ZINC000665386682 453677475 /nfs/dbraw/zinc/67/74/75/453677475.db2.gz CYTSMPWQTOMTGI-HOCLYGCPSA-N 2 0 325.522 1.757 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351318 453724720 /nfs/dbraw/zinc/72/47/20/453724720.db2.gz CXTXNXHEFXQVCE-JYJNAYRXSA-N 2 0 337.464 1.483 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000659353548 453725218 /nfs/dbraw/zinc/72/52/18/453725218.db2.gz QAYYZLNVZFHCLW-MGHWNKPDSA-N 2 0 331.460 1.645 20 0 EDADRP CN(C(=O)CC[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000663283940 453754711 /nfs/dbraw/zinc/75/47/11/453754711.db2.gz QAHZVPKFFTWPFI-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000663425010 453794294 /nfs/dbraw/zinc/79/42/94/453794294.db2.gz NQTQVEIYPPWTIB-UHFFFAOYSA-N 3 0 341.544 1.434 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439091 453798901 /nfs/dbraw/zinc/79/89/01/453798901.db2.gz MGVAURLZJZDDMP-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000663502225 453811192 /nfs/dbraw/zinc/81/11/92/453811192.db2.gz FTDRQUACTSDCIP-UHFFFAOYSA-N 2 0 333.432 1.496 20 0 EDADRP CN(C)S(=O)(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000671677200 486710731 /nfs/dbraw/zinc/71/07/31/486710731.db2.gz OZFGWDIQTIDVOB-UHFFFAOYSA-N 2 0 331.526 1.466 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000417669626 486805601 /nfs/dbraw/zinc/80/56/01/486805601.db2.gz MFFIAROWOGRURW-VQHPVUNQSA-N 2 0 340.512 1.693 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418005591 486821426 /nfs/dbraw/zinc/82/14/26/486821426.db2.gz ZIKSOLOXJMUUKW-UHFFFAOYSA-N 2 0 348.491 1.565 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000670392825 486892036 /nfs/dbraw/zinc/89/20/36/486892036.db2.gz JNNNEMGYLSQVKK-ROUUACIJSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H]([NH2+]Cc1cnc(N2CCOCC2)c(F)c1)C1CC[NH+](C)CC1 ZINC000680939108 486901428 /nfs/dbraw/zinc/90/14/28/486901428.db2.gz RHAGDDXDRSUQII-CQSZACIVSA-N 2 0 336.455 1.877 20 0 EDADRP CCOC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000667680232 486911023 /nfs/dbraw/zinc/91/10/23/486911023.db2.gz AMDLLPRONXITSK-UHFFFAOYSA-N 2 0 346.475 1.669 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000681188666 486964799 /nfs/dbraw/zinc/96/47/99/486964799.db2.gz OSURXAGGYFTDMX-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000667807069 486974692 /nfs/dbraw/zinc/97/46/92/486974692.db2.gz PKPSWBULUKVFON-ZFWWWQNUSA-N 2 0 331.464 1.894 20 0 EDADRP c1cc2n(n1)C[C@H](C[NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CN2 ZINC000684202218 486984512 /nfs/dbraw/zinc/98/45/12/486984512.db2.gz ROMODAUCQGHOKU-MRXNPFEDSA-N 2 0 326.448 1.826 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673670666 487085222 /nfs/dbraw/zinc/08/52/22/487085222.db2.gz KAHJZWUOHIUJCP-HKUYNNGSSA-N 2 0 331.460 1.034 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673866456 487139401 /nfs/dbraw/zinc/13/94/01/487139401.db2.gz CNRKVLIICFQURM-INIZCTEOSA-N 2 0 336.484 1.783 20 0 EDADRP O=C(CCCn1ccnc1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000673935559 487163286 /nfs/dbraw/zinc/16/32/86/487163286.db2.gz SVNXHRVHJGURET-UHFFFAOYSA-N 2 0 327.432 1.839 20 0 EDADRP OCC[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H](CCO)C2)C1 ZINC000674232629 487219564 /nfs/dbraw/zinc/21/95/64/487219564.db2.gz HNELICSSWJCWHD-HDICACEKSA-N 2 0 328.497 1.192 20 0 EDADRP C[C@@H](O)C[NH+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000678236906 487269596 /nfs/dbraw/zinc/26/95/96/487269596.db2.gz LCWAXJMTOKXEPM-GOSISDBHSA-N 2 0 347.503 1.660 20 0 EDADRP CN(CC[N@H+](C)Cc1ccccc1-n1cncn1)C1CC[NH+](C)CC1 ZINC000685454750 487278029 /nfs/dbraw/zinc/27/80/29/487278029.db2.gz DPNWFFXGACDRJU-UHFFFAOYSA-N 2 0 342.491 1.725 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C(F)F)n1 ZINC000678828028 487368740 /nfs/dbraw/zinc/36/87/40/487368740.db2.gz KXYYQEUIAXIMFC-ZDUSSCGKSA-N 2 0 343.422 1.766 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000675191991 487387432 /nfs/dbraw/zinc/38/74/32/487387432.db2.gz SLRKJHRMKKXAAJ-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000682613060 487396978 /nfs/dbraw/zinc/39/69/78/487396978.db2.gz FJPHVGSTRXGNFE-SFHVURJKSA-N 2 0 348.491 1.481 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-n2cnnn2)c1 ZINC000675838826 487449884 /nfs/dbraw/zinc/44/98/84/487449884.db2.gz OIPSSRWZUKJTER-QAPCUYQASA-N 2 0 344.463 1.550 20 0 EDADRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898285 487458048 /nfs/dbraw/zinc/45/80/48/487458048.db2.gz KSXFEPNIXNNDFM-YLJYHZDGSA-N 2 0 331.504 1.943 20 0 EDADRP COCC1(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000669518327 485483057 /nfs/dbraw/zinc/48/30/57/485483057.db2.gz JOAARUAUOYOYRF-CQSZACIVSA-N 2 0 325.840 1.472 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1(C)C ZINC000669519993 485485689 /nfs/dbraw/zinc/48/56/89/485485689.db2.gz ZUXHXXRPTCDWTC-OLMMMNRUSA-N 2 0 337.508 1.757 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000652146452 485512106 /nfs/dbraw/zinc/51/21/06/485512106.db2.gz VDKWAMCBVFHOJQ-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000669570380 485589388 /nfs/dbraw/zinc/58/93/88/485589388.db2.gz CNXZVBYEEKUCCM-CHYADLBTSA-N 2 0 332.448 1.092 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000669582864 485631286 /nfs/dbraw/zinc/63/12/86/485631286.db2.gz BUUTYOXKIDYWNB-UHFFFAOYSA-N 2 0 346.475 1.840 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000668602789 485937006 /nfs/dbraw/zinc/93/70/06/485937006.db2.gz LEJXEHZFNDSMJM-CVEARBPZSA-N 2 0 338.496 1.591 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000344646537 485950790 /nfs/dbraw/zinc/95/07/90/485950790.db2.gz FBQLSBPDGPSQPT-MSOLQXFVSA-N 2 0 337.508 1.534 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000237607331 485994053 /nfs/dbraw/zinc/99/40/53/485994053.db2.gz FQVZMXQKQPGIRG-GASCZTMLSA-N 2 0 334.464 1.369 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000346570568 485997007 /nfs/dbraw/zinc/99/70/07/485997007.db2.gz PTBPAPMFRVXWEW-SJORKVTESA-N 2 0 337.508 1.676 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000668654335 485999895 /nfs/dbraw/zinc/99/98/95/485999895.db2.gz MCFFUSXISXPFCA-JCGIZDLHSA-N 2 0 348.491 1.609 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669388175 486023459 /nfs/dbraw/zinc/02/34/59/486023459.db2.gz RXSLMPDCMVPEMX-YESZJQIVSA-N 2 0 334.508 1.892 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](CC3CC3)CC2)C[C@H]1c1ccccc1 ZINC000669396366 486051735 /nfs/dbraw/zinc/05/17/35/486051735.db2.gz BHUGQXKLEXVAKE-RBUKOAKNSA-N 2 0 342.487 1.997 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669469593 486221093 /nfs/dbraw/zinc/22/10/93/486221093.db2.gz ZTNVQBGWMCDMBX-HOCLYGCPSA-N 2 0 338.496 1.269 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)Cc2ccccc2C1 ZINC000669496433 486270623 /nfs/dbraw/zinc/27/06/23/486270623.db2.gz OGNLJSOFTRXIQJ-MAUKXSAKSA-N 2 0 342.487 1.479 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC/C=C\C[NH3+])c1cccc(OC)c1 ZINC000668899943 486321432 /nfs/dbraw/zinc/32/14/32/486321432.db2.gz QXQCUFZUMHRTAD-TUYSUELWSA-N 2 0 334.464 1.892 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000670443678 486523985 /nfs/dbraw/zinc/52/39/85/486523985.db2.gz GZUIRHMJHZERRP-XMTFNYHQSA-N 2 0 337.508 1.961 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131466698 491212952 /nfs/dbraw/zinc/21/29/52/491212952.db2.gz VWKWAJRQTZGVLP-IBGZPJMESA-N 2 0 335.492 1.563 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000073476667 491008818 /nfs/dbraw/zinc/00/88/18/491008818.db2.gz JTPDMIKUTUMVAU-KRWDZBQOSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000127607381 491016745 /nfs/dbraw/zinc/01/67/45/491016745.db2.gz JBVFJURHNPATQT-LSDHHAIUSA-N 2 0 329.448 1.538 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000362993057 518177165 /nfs/dbraw/zinc/17/71/65/518177165.db2.gz CNKICRXEGIMBGB-FUHWJXTLSA-N 2 0 347.507 1.933 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CC[NH2+]C2)cc1OC ZINC000164820875 528152212 /nfs/dbraw/zinc/15/22/12/528152212.db2.gz UVRQIBKDMIIRFH-INIZCTEOSA-N 2 0 349.475 1.642 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)c1 ZINC000164744371 528192626 /nfs/dbraw/zinc/19/26/26/528192626.db2.gz HWDQUNAYIZHJQN-GOSISDBHSA-N 2 0 333.476 1.913 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC1CC[NH+](C)CC1)C(C)C ZINC000339615195 535065870 /nfs/dbraw/zinc/06/58/70/535065870.db2.gz OZRNKXXDYIOPCX-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352668385 535164508 /nfs/dbraw/zinc/16/45/08/535164508.db2.gz RQWPISPOLHQCMX-HUUCEWRRSA-N 2 0 332.510 1.167 20 0 EDADRP CC(C)([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000236783930 535193636 /nfs/dbraw/zinc/19/36/36/535193636.db2.gz YVUQVYCOEHOQHO-INIZCTEOSA-N 2 0 345.491 1.180 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178957482 535325734 /nfs/dbraw/zinc/32/57/34/535325734.db2.gz CZXWXZAEJUASJF-UHFFFAOYSA-N 2 0 325.497 1.629 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC1 ZINC000333457940 535329907 /nfs/dbraw/zinc/32/99/07/535329907.db2.gz YOSHOLVCWDQPSN-WBVHZDCISA-N 2 0 338.496 1.269 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000347206061 535432219 /nfs/dbraw/zinc/43/22/19/535432219.db2.gz DZDSDMBJXPGVKQ-DOTOQJQBSA-N 2 0 338.496 1.365 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000347012845 535692287 /nfs/dbraw/zinc/69/22/87/535692287.db2.gz KUFVMASDCSENGC-INIZCTEOSA-N 2 0 326.529 1.687 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000333117132 535756034 /nfs/dbraw/zinc/75/60/34/535756034.db2.gz HONSKSFXAJFOPJ-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000727468553 578529622 /nfs/dbraw/zinc/52/96/22/578529622.db2.gz MJEXEMOUAXLQBS-GJZGRUSLSA-N 2 0 327.469 1.432 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1C[C@@H](O)c1ccccc1 ZINC000729929097 578604107 /nfs/dbraw/zinc/60/41/07/578604107.db2.gz BAVCVYIJUMSIOS-MISYRCLQSA-N 2 0 347.503 1.183 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732448207 578712751 /nfs/dbraw/zinc/71/27/51/578712751.db2.gz FPZAHNAHLSCBNY-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CCC(OCC[NH+](C)C)CC1 ZINC000732624535 578721172 /nfs/dbraw/zinc/72/11/72/578721172.db2.gz QLCNYLQKEHWCFS-HNNXBMFYSA-N 2 0 342.553 1.388 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000732838867 578732535 /nfs/dbraw/zinc/73/25/35/578732535.db2.gz JXWYZUIULXNSMF-INIZCTEOSA-N 2 0 333.480 1.149 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)CC1 ZINC000761301986 580054375 /nfs/dbraw/zinc/05/43/75/580054375.db2.gz JPMSVIBEYIYRMG-MRXNPFEDSA-N 2 0 348.491 1.800 20 0 EDADRP C[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCCC[C@H]1C ZINC000747553937 579648659 /nfs/dbraw/zinc/64/86/59/579648659.db2.gz AVZUYFPLDJGJGG-CABCVRRESA-N 2 0 336.484 1.829 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)C(C)(C)C ZINC000747555303 579648663 /nfs/dbraw/zinc/64/86/63/579648663.db2.gz IZOXNWDKLLAUJE-HNNXBMFYSA-N 2 0 338.500 1.933 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)C1 ZINC000753123166 579873101 /nfs/dbraw/zinc/87/31/01/579873101.db2.gz XEYFFTDMXFYYQN-HNNXBMFYSA-N 2 0 331.460 1.706 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000765280843 580139241 /nfs/dbraw/zinc/13/92/41/580139241.db2.gz TXUSIOWUIFBZKV-NVXWUHKLSA-N 2 0 339.505 1.426 20 0 EDADRP C[NH+]1CCC(CNC(=S)NCC[N@@H+]2CCCC(C)(C)C2)CC1 ZINC000766535648 580169168 /nfs/dbraw/zinc/16/91/68/580169168.db2.gz AIWDYKXZJQQTLU-UHFFFAOYSA-N 2 0 326.554 1.914 20 0 EDADRP Cc1cc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)nc(N)[nH+]1 ZINC000767312921 580186218 /nfs/dbraw/zinc/18/62/18/580186218.db2.gz VBQLOTZJMILEEJ-INIZCTEOSA-N 2 0 327.432 1.936 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000775011419 580380782 /nfs/dbraw/zinc/38/07/82/580380782.db2.gz JPEXRZPYZMOZJF-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP Cn1nc(C(F)(F)F)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1Cl ZINC000782154374 580567976 /nfs/dbraw/zinc/56/79/76/580567976.db2.gz KSOBFYQTKJKDGL-UHFFFAOYSA-N 2 0 340.777 1.639 20 0 EDADRP CN1C[C@H]2CC[NH+](CCCCCC[N@H+]3CC[C@H]4CN(C)C[C@H]43)[C@@H]2C1 ZINC000794948619 580908649 /nfs/dbraw/zinc/90/86/49/580908649.db2.gz KURWUJDQNDUBQR-IYWMVGAKSA-N 2 0 334.552 1.819 20 0 EDADRP CC[C@@H]1OCC[C@H]1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000795927179 580941458 /nfs/dbraw/zinc/94/14/58/580941458.db2.gz BTALOPBAHKVBDL-ZACQAIPSSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000891816302 590634573 /nfs/dbraw/zinc/63/45/73/590634573.db2.gz VKVZRKPGHHXCNU-SJLPKXTDSA-N 2 0 346.475 1.473 20 0 EDADRP Cc1cc(N)nc(N2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000891831538 590642441 /nfs/dbraw/zinc/64/24/41/590642441.db2.gz WXHBCAGLACFLMD-UHFFFAOYSA-N 2 0 346.479 1.186 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@H]1C(F)(F)F ZINC000891858936 590659091 /nfs/dbraw/zinc/65/90/91/590659091.db2.gz YDVNKQVMXDROEQ-TZMCWYRMSA-N 2 0 348.413 1.639 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)[C@H]1OC ZINC000893114271 590668186 /nfs/dbraw/zinc/66/81/86/590668186.db2.gz UNQCGVYJFQFGLH-YYWYGQEZSA-N 2 0 326.481 1.536 20 0 EDADRP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893181668 590699521 /nfs/dbraw/zinc/69/95/21/590699521.db2.gz GSNAZYHZZFLLEI-SFHVURJKSA-N 2 0 333.476 1.292 20 0 EDADRP c1cc(N[C@H]2CC[N@@H+](C3CC3)C2)nc(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000892001202 590737109 /nfs/dbraw/zinc/73/71/09/590737109.db2.gz YPZUYYAQNUGRFY-UONOGXRCSA-N 2 0 328.464 1.774 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000892001993 590737959 /nfs/dbraw/zinc/73/79/59/590737959.db2.gz ZLNHJYYDLMWGCN-PBHICJAKSA-N 2 0 332.448 1.351 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000892035663 590764007 /nfs/dbraw/zinc/76/40/07/590764007.db2.gz CUYPWGAXQVZOFE-WBVHZDCISA-N 2 0 334.464 1.725 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C3CC3)C2)c1 ZINC000892048354 590771300 /nfs/dbraw/zinc/77/13/00/590771300.db2.gz JREVNRXXANEGBG-QZTJIDSGSA-N 2 0 346.475 1.232 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC2(C)CC[NH2+]CC2)c1 ZINC000892057468 590774193 /nfs/dbraw/zinc/77/41/93/590774193.db2.gz NDOZQSXRZQBSIX-QGZVFWFLSA-N 2 0 346.475 1.741 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000892090570 590793742 /nfs/dbraw/zinc/79/37/42/590793742.db2.gz GJMOMEBSEKYRCV-MSOLQXFVSA-N 2 0 346.475 1.869 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H]1OC ZINC000893351297 590797208 /nfs/dbraw/zinc/79/72/08/590797208.db2.gz AOKCSRLROLOVLS-RCCFBDPRSA-N 2 0 349.475 1.260 20 0 EDADRP COCC1(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000892115493 590807764 /nfs/dbraw/zinc/80/77/64/590807764.db2.gz NNGGSHVNOCWKGT-KRWDZBQOSA-N 2 0 348.491 1.262 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117976 590808387 /nfs/dbraw/zinc/80/83/87/590808387.db2.gz BENJVOKZJQLOCV-DOTOQJQBSA-N 2 0 346.475 1.018 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000892148301 590822297 /nfs/dbraw/zinc/82/22/97/590822297.db2.gz XKAGFQOTIBIWED-DLBZAZTESA-N 2 0 334.464 1.232 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892155425 590826993 /nfs/dbraw/zinc/82/69/93/590826993.db2.gz AIPPNVRVKPXKJS-CQSZACIVSA-N 2 0 332.439 1.793 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000890879342 590828495 /nfs/dbraw/zinc/82/84/95/590828495.db2.gz QOZSYGZRSZNVAP-UHFFFAOYSA-N 2 0 339.524 1.924 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000892190357 590855844 /nfs/dbraw/zinc/85/58/44/590855844.db2.gz BRZXAQFGNYUDJR-XMTFNYHQSA-N 2 0 330.476 1.634 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCSC1 ZINC000893415877 590855916 /nfs/dbraw/zinc/85/59/16/590855916.db2.gz HHGFDXXMMOFXJQ-IIAWOOMASA-N 2 0 326.510 1.302 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892292436 590919309 /nfs/dbraw/zinc/91/93/09/590919309.db2.gz RJGQNWXONDOYGO-QGZVFWFLSA-N 2 0 334.464 1.234 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892394172 591008835 /nfs/dbraw/zinc/00/88/35/591008835.db2.gz LMRVGBXITQEQCV-INIZCTEOSA-N 2 0 347.507 1.933 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399940 591011512 /nfs/dbraw/zinc/01/15/12/591011512.db2.gz LNCYQHHGPSUXOT-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892478187 591041237 /nfs/dbraw/zinc/04/12/37/591041237.db2.gz JOJHTIZZRCUIHO-DLBZAZTESA-N 2 0 330.476 1.778 20 0 EDADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000891363876 591061229 /nfs/dbraw/zinc/06/12/29/591061229.db2.gz NUVSQUHZCUDSHM-PMPSAXMXSA-N 2 0 336.480 1.071 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892535491 591063539 /nfs/dbraw/zinc/06/35/39/591063539.db2.gz MOFCDVAEHDNYBW-HUUCEWRRSA-N 2 0 329.460 1.236 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCCC1 ZINC000891393656 591066766 /nfs/dbraw/zinc/06/67/66/591066766.db2.gz BAMZKXVOAJHBLE-KGLIPLIRSA-N 2 0 332.439 1.652 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563615 591074928 /nfs/dbraw/zinc/07/49/28/591074928.db2.gz SWEZMWGNWZXGID-CVEARBPZSA-N 2 0 329.460 1.237 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000891450482 591076505 /nfs/dbraw/zinc/07/65/05/591076505.db2.gz IDCDEJZKLPUBHP-RHSMWYFYSA-N 2 0 334.464 1.691 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000891450484 591076822 /nfs/dbraw/zinc/07/68/22/591076822.db2.gz IDCDEJZKLPUBHP-WMLDXEAASA-N 2 0 334.464 1.691 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891456271 591078873 /nfs/dbraw/zinc/07/88/73/591078873.db2.gz MRSZFMUVRCOPSN-JCNLHEQBSA-N 2 0 348.491 1.944 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891479180 591088783 /nfs/dbraw/zinc/08/87/83/591088783.db2.gz PWZCDQGVZLHSEY-QWHCGFSZSA-N 2 0 336.402 1.497 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599753 591089235 /nfs/dbraw/zinc/08/92/35/591089235.db2.gz UIKPEIVANYQGME-YYIAUSFCSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)N3CCC[NH2+]CC3)C2)c1 ZINC000892609615 591092467 /nfs/dbraw/zinc/09/24/67/591092467.db2.gz SEHSKVTXMNRSLV-SFHVURJKSA-N 2 0 346.475 1.201 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000891508549 591098347 /nfs/dbraw/zinc/09/83/47/591098347.db2.gz NQVNLRXXBARJAT-BPQIPLTHSA-N 2 0 330.476 1.682 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000891514618 591104000 /nfs/dbraw/zinc/10/40/00/591104000.db2.gz VITCTKCFGKAMCM-ZBFHGGJFSA-N 2 0 334.464 1.301 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891538394 591112976 /nfs/dbraw/zinc/11/29/76/591112976.db2.gz XJNJYEMKYCGSTG-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000893867907 591120650 /nfs/dbraw/zinc/12/06/50/591120650.db2.gz UHYIIYAKUPWWJH-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)CC1 ZINC000892673243 591123276 /nfs/dbraw/zinc/12/32/76/591123276.db2.gz CLWJIDAQTDSTRN-MRXNPFEDSA-N 2 0 347.459 1.242 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626675 591156267 /nfs/dbraw/zinc/15/62/67/591156267.db2.gz MTOXFGAYPXPKGD-MSOLQXFVSA-N 2 0 330.476 1.854 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789083 591179254 /nfs/dbraw/zinc/17/92/54/591179254.db2.gz NGTBYOYVLBNEEK-DLBZAZTESA-N 2 0 330.476 1.873 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789085 591179514 /nfs/dbraw/zinc/17/95/14/591179514.db2.gz NGTBYOYVLBNEEK-IAGOWNOFSA-N 2 0 330.476 1.873 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000891695015 591187367 /nfs/dbraw/zinc/18/73/67/591187367.db2.gz WCYXXAXASIOVOD-ZACQAIPSSA-N 2 0 338.496 1.277 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C2CCCC2)CC1 ZINC000892812912 591190353 /nfs/dbraw/zinc/19/03/53/591190353.db2.gz FPJCBQHDRAJMQG-SFHVURJKSA-N 2 0 342.487 1.971 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)[C@H]1OC ZINC000892867577 591208429 /nfs/dbraw/zinc/20/84/29/591208429.db2.gz XRUCXMQGMNGWMU-RCCFBDPRSA-N 2 0 349.475 1.260 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCCC[C@]3(CC[NH2+]C3)C1)C2 ZINC000892876263 591212124 /nfs/dbraw/zinc/21/21/24/591212124.db2.gz CWTXQEGRNNGYGZ-QGZVFWFLSA-N 2 0 349.504 1.546 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892880943 591213186 /nfs/dbraw/zinc/21/31/86/591213186.db2.gz MFDCNTVKHNRJQG-GFCCVEGCSA-N 2 0 337.493 1.354 20 0 EDADRP C[NH+]1CCC(C[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000892880764 591213410 /nfs/dbraw/zinc/21/34/10/591213410.db2.gz ITMIIKLRQDOZHQ-UHFFFAOYSA-N 2 0 326.462 1.400 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000892935161 591229879 /nfs/dbraw/zinc/22/98/79/591229879.db2.gz OIKUIONOFWKRIF-INIZCTEOSA-N 2 0 338.496 1.400 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895696748 591257163 /nfs/dbraw/zinc/25/71/63/591257163.db2.gz GFZJUCOFLIGSSE-RTBURBONSA-N 2 0 343.471 1.488 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000894346631 591285744 /nfs/dbraw/zinc/28/57/44/591285744.db2.gz VGEKJNHSELIRKE-AZUAARDMSA-N 2 0 344.503 1.884 20 0 EDADRP Cn1nc(Br)nc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000894356035 591288515 /nfs/dbraw/zinc/28/85/15/591288515.db2.gz DPQVDYPBDXOZIP-UHFFFAOYSA-N 2 0 330.274 1.788 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000894454962 591316885 /nfs/dbraw/zinc/31/68/85/591316885.db2.gz CQNAORGGLZFKQS-LSDHHAIUSA-N 2 0 331.526 1.366 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(N3CN=NC3=O)CC2)cc1 ZINC000894609418 591360356 /nfs/dbraw/zinc/36/03/56/591360356.db2.gz KPZNRHDHKHXFEW-UHFFFAOYSA-N 2 0 345.447 1.761 20 0 EDADRP Cn1cnc(CNC(=O)N2CCN(CCCOC(C)(C)C)CC2)c1 ZINC000898615482 591441667 /nfs/dbraw/zinc/44/16/67/591441667.db2.gz MLCJKOQDSFFORY-UHFFFAOYSA-N 2 0 337.468 1.453 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894924831 591478950 /nfs/dbraw/zinc/47/89/50/591478950.db2.gz BYCGIMPVBNSAMM-BRWVUGGUSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894987165 591512826 /nfs/dbraw/zinc/51/28/26/591512826.db2.gz MIENCRGHTHWPAA-ZACQAIPSSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccco1 ZINC000897729552 591653016 /nfs/dbraw/zinc/65/30/16/591653016.db2.gz CPXAHEBHJUZJOE-BPUTZDHNSA-N 2 0 335.448 1.546 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)CC(C)C ZINC000896891289 591655128 /nfs/dbraw/zinc/65/51/28/591655128.db2.gz CWRQVENBNRWDNV-GOSISDBHSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000897937868 591729471 /nfs/dbraw/zinc/72/94/71/591729471.db2.gz ZLGWQLOWRGXAMZ-ALYAQQCSSA-N 2 0 338.496 1.077 20 0 EDADRP F[C@@H]1CC2(CC[C@H]1[NH2+]C1CCN([C@H]3CCOC3)CC1)OCCO2 ZINC000895437766 591757728 /nfs/dbraw/zinc/75/77/28/591757728.db2.gz YQZCFODNRKJQSP-ARFHVFGLSA-N 2 0 328.428 1.463 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)CC1 ZINC000898109668 591785980 /nfs/dbraw/zinc/78/59/80/591785980.db2.gz DBDQNZZRBZHQNG-UHFFFAOYSA-N 2 0 337.508 1.460 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000898102878 591798093 /nfs/dbraw/zinc/79/80/93/591798093.db2.gz PFQFBLPINAKPIQ-PMPSAXMXSA-N 2 0 325.497 1.625 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC(N3CC[C@@H](O)C3)C2)cc1 ZINC000898279831 591850867 /nfs/dbraw/zinc/85/08/67/591850867.db2.gz OEOQTUGSFKHWSB-AEFFLSMTSA-N 2 0 347.459 1.012 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000900216491 591946364 /nfs/dbraw/zinc/94/63/64/591946364.db2.gz NDFCTZIIXBKMEF-ROUUACIJSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1cc(C(=O)CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)c(C)n1C ZINC000902811573 592069114 /nfs/dbraw/zinc/06/91/14/592069114.db2.gz ZDBNMSRCZULYQK-XJKSGUPXSA-N 2 0 334.420 1.186 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC1 ZINC000900686096 592094232 /nfs/dbraw/zinc/09/42/32/592094232.db2.gz DSGLQLNHNCWCJR-AEFFLSMTSA-N 2 0 325.497 1.412 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)(N2CCOCC2)CC1 ZINC000903018209 592097280 /nfs/dbraw/zinc/09/72/80/592097280.db2.gz YXIQITVCIBFEGF-NTZUZEMLSA-N 2 0 349.519 1.186 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900739647 592114068 /nfs/dbraw/zinc/11/40/68/592114068.db2.gz RLHSGHDBYNSDEB-INIZCTEOSA-N 2 0 330.432 1.693 20 0 EDADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903105330 592120762 /nfs/dbraw/zinc/12/07/62/592120762.db2.gz BADQFXKLCKHJAV-WOJBJXKFSA-N 2 0 346.471 1.681 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CCN2Cc3ccccc3OCC2=O)CC1(C)C ZINC000903180612 592131113 /nfs/dbraw/zinc/13/11/13/592131113.db2.gz GFKYOKBCLLFGTP-MRXNPFEDSA-N 2 0 331.460 1.870 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+](C)CCN1C ZINC000900812646 592134254 /nfs/dbraw/zinc/13/42/54/592134254.db2.gz XBFNFZNEQGBALV-QXAKKESOSA-N 2 0 344.503 1.259 20 0 EDADRP c1cnc([C@@H](NC2CC[NH+](CCN3CCOCC3)CC2)C2CC2)nc1 ZINC000903333177 592155589 /nfs/dbraw/zinc/15/55/89/592155589.db2.gz QJJQURPLXFSSDB-SFHVURJKSA-N 2 0 345.491 1.314 20 0 EDADRP CN(c1cccc(C[NH2+]C2[C@@H]3CC[C@H]2C[N@@H+](C)C3)c1)S(C)(=O)=O ZINC000903424033 592171311 /nfs/dbraw/zinc/17/13/11/592171311.db2.gz LABBMPZTBCCCMC-FKEKPDDDSA-N 2 0 337.489 1.512 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900960202 592186066 /nfs/dbraw/zinc/18/60/66/592186066.db2.gz QVMOTRCCMQGNBV-HGKSCXNLSA-N 2 0 345.487 1.468 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOCC(F)(F)C(F)F)C2 ZINC000903493523 592186326 /nfs/dbraw/zinc/18/63/26/592186326.db2.gz UDONAGHTSBMGRC-CWSCBRNRSA-N 2 0 342.333 1.116 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@@H](OC)c1ccc(F)cc1)C2 ZINC000903494540 592186690 /nfs/dbraw/zinc/18/66/90/592186690.db2.gz IZOPLKCQOJGVGC-ZDRJDWQYSA-N 2 0 336.407 1.726 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCOCc2ccccc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525203 592197876 /nfs/dbraw/zinc/19/78/76/592197876.db2.gz DCTZAGUGDIJXMN-MJGOQNOKSA-N 2 0 331.460 1.440 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2C[C@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567967 592223808 /nfs/dbraw/zinc/22/38/08/592223808.db2.gz HGGURFZAKFYOPM-AWEZNQCLSA-N 2 0 348.466 1.364 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000907958522 592233214 /nfs/dbraw/zinc/23/32/14/592233214.db2.gz GDKCJDDHPPCBCC-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649246 592233872 /nfs/dbraw/zinc/23/38/72/592233872.db2.gz BDJHKDQTNRSCJJ-HNNXBMFYSA-N 2 0 332.448 1.419 20 0 EDADRP C[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906649215 592234067 /nfs/dbraw/zinc/23/40/67/592234067.db2.gz ALYYZLANIKOTBY-UHFFFAOYSA-N 2 0 332.448 1.277 20 0 EDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000904391511 592242955 /nfs/dbraw/zinc/24/29/55/592242955.db2.gz HNGGQJRQHXRJJP-MRXNPFEDSA-N 2 0 327.432 1.802 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906664583 592246937 /nfs/dbraw/zinc/24/69/37/592246937.db2.gz MAROGGBGKOPGPL-MRXNPFEDSA-N 2 0 346.475 1.808 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)C1 ZINC000904381456 592247317 /nfs/dbraw/zinc/24/73/17/592247317.db2.gz PPMKWAVEACMYJD-KKKKKVIPSA-N 2 0 331.382 1.455 20 0 EDADRP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@H](O)C3)C2)CCC[NH2+]C1 ZINC000904384356 592247339 /nfs/dbraw/zinc/24/73/39/592247339.db2.gz JPEODJLATSATNA-VXNCWWDNSA-N 2 0 337.508 1.508 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906679866 592260894 /nfs/dbraw/zinc/26/08/94/592260894.db2.gz NCHYIGLNKIQJEN-HNNXBMFYSA-N 2 0 332.448 1.372 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906681171 592262724 /nfs/dbraw/zinc/26/27/24/592262724.db2.gz JNCDCHNAUUSOBR-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2C[C@@H]([NH2+]Cc3ccc(N4CC[NH2+]CC4)o3)[C@H]2C1 ZINC000904475175 592269620 /nfs/dbraw/zinc/26/96/20/592269620.db2.gz ZIRGLWOKQRANIG-LUYZLQTOSA-N 2 0 333.432 1.367 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)CC[NH2+]1 ZINC000904477919 592269835 /nfs/dbraw/zinc/26/98/35/592269835.db2.gz ZTEPRQGGKISOOJ-YGHRGLEHSA-N 2 0 330.542 1.661 20 0 EDADRP COCCn1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000904474915 592269852 /nfs/dbraw/zinc/26/98/52/592269852.db2.gz MEPONRGISFBADJ-MJGOQNOKSA-N 2 0 342.443 1.875 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904509710 592273287 /nfs/dbraw/zinc/27/32/87/592273287.db2.gz JYWINTUYHBGAKO-IAGOWNOFSA-N 2 0 332.448 1.469 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901173420 592275708 /nfs/dbraw/zinc/27/57/08/592275708.db2.gz ZBANSRAXFALQRP-HNNXBMFYSA-N 2 0 328.460 1.819 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904530831 592279987 /nfs/dbraw/zinc/27/99/87/592279987.db2.gz PIESUUVIICUCAQ-SUMWQHHRSA-N 2 0 332.452 1.495 20 0 EDADRP O=C(C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903717683 592280714 /nfs/dbraw/zinc/28/07/14/592280714.db2.gz CZHDFHMNQBWAGP-PKOBYXMFSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723607 592283623 /nfs/dbraw/zinc/28/36/23/592283623.db2.gz WWGFWXKOSKCNHE-ZFWWWQNUSA-N 2 0 349.397 1.146 20 0 EDADRP CCCCNC(=O)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903724423 592284171 /nfs/dbraw/zinc/28/41/71/592284171.db2.gz NNSQJVGLFFLOFG-KRWDZBQOSA-N 2 0 337.508 1.773 20 0 EDADRP FC(F)(F)COCCC[NH+]1CCN(C[C@@H]2CCCC[NH2+]C2)CC1 ZINC000903726484 592284747 /nfs/dbraw/zinc/28/47/47/592284747.db2.gz MDFPXMUMDJCVQY-OAHLLOKOSA-N 2 0 337.430 1.963 20 0 EDADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903726049 592285307 /nfs/dbraw/zinc/28/53/07/592285307.db2.gz JWHSXBKCIMXHKR-DODZYUBVSA-N 2 0 337.508 1.772 20 0 EDADRP CCOCCN1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000906727958 592295354 /nfs/dbraw/zinc/29/53/54/592295354.db2.gz PNMGGGQMXVMPRE-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@@H]1c1ccccc1 ZINC000901233153 592296685 /nfs/dbraw/zinc/29/66/85/592296685.db2.gz KHGJHFCSLAMOAH-NEWSRXKRSA-N 2 0 331.460 1.395 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000903753146 592297150 /nfs/dbraw/zinc/29/71/50/592297150.db2.gz RSQPCIWPPWAZKJ-IXDOHACOSA-N 2 0 325.497 1.186 20 0 EDADRP CC[NH+](CC)CCOc1cccc(NC(=O)N(C)C[C@H](O)C[NH3+])c1 ZINC000904617402 592297514 /nfs/dbraw/zinc/29/75/14/592297514.db2.gz QOFZFCBLMPIOIE-OAHLLOKOSA-N 2 0 338.452 1.191 20 0 EDADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000903740142 592301575 /nfs/dbraw/zinc/30/15/75/592301575.db2.gz SEFWTWSBMCAXFN-CVEARBPZSA-N 2 0 345.491 1.562 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903766864 592309873 /nfs/dbraw/zinc/30/98/73/592309873.db2.gz SODKXNKEMUPLAV-DLBZAZTESA-N 2 0 325.497 1.188 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](C[C@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770146 592310772 /nfs/dbraw/zinc/31/07/72/592310772.db2.gz TUEDYWLKAHDWBN-DLBZAZTESA-N 3 0 346.523 1.388 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)ccn1 ZINC000901254205 592313163 /nfs/dbraw/zinc/31/31/63/592313163.db2.gz CFASIFRMFLWBPF-IAGOWNOFSA-N 2 0 346.475 1.655 20 0 EDADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793352 592316048 /nfs/dbraw/zinc/31/60/48/592316048.db2.gz RMTVSIBAFKHWOU-UHFFFAOYSA-N 2 0 347.459 1.000 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782689 592320861 /nfs/dbraw/zinc/32/08/61/592320861.db2.gz QPNVTKLVNSQSIA-RTBURBONSA-N 2 0 345.487 1.800 20 0 EDADRP CC(C)(C[NH3+])C1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000903789148 592322776 /nfs/dbraw/zinc/32/27/76/592322776.db2.gz QBLGQOOYBMEOSW-UHFFFAOYSA-N 2 0 338.374 1.071 20 0 EDADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2[C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000903814615 592324761 /nfs/dbraw/zinc/32/47/61/592324761.db2.gz NTFMMDQSUSSOKM-IRXDYDNUSA-N 2 0 335.492 1.750 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH2+]CCC23CCOCC3)cc1 ZINC000903818899 592332304 /nfs/dbraw/zinc/33/23/04/592332304.db2.gz XRQIXYFXRGSPNC-QGZVFWFLSA-N 2 0 333.476 1.582 20 0 EDADRP Cc1noc(C[C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824431 592334518 /nfs/dbraw/zinc/33/45/18/592334518.db2.gz QPFRNYWWIFRFNQ-HOTGVXAUSA-N 2 0 334.464 1.791 20 0 EDADRP COc1ccccc1N1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000903830250 592336154 /nfs/dbraw/zinc/33/61/54/592336154.db2.gz XHWFFEXBEQUUKE-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000906830542 592358283 /nfs/dbraw/zinc/35/82/83/592358283.db2.gz UNOBBKAUZBKANH-IBGZPJMESA-N 2 0 344.503 1.213 20 0 EDADRP CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915449 592370375 /nfs/dbraw/zinc/37/03/75/592370375.db2.gz YSDFXFYRMRJLSP-LPHOPBHVSA-N 2 0 347.507 1.321 20 0 EDADRP Cc1noc(C2(C)CC[NH+](C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)n1 ZINC000903902610 592372216 /nfs/dbraw/zinc/37/22/16/592372216.db2.gz KSXRPUSYXVNHHP-HNNXBMFYSA-N 2 0 346.479 1.591 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3ccc(O)cc3CC2)cnn1C ZINC000903904378 592372757 /nfs/dbraw/zinc/37/27/57/592372757.db2.gz TVFCWNOYDOHYDI-HNNXBMFYSA-N 2 0 328.460 1.652 20 0 EDADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C[C@]1(O)CCOC1 ZINC000905037126 592374215 /nfs/dbraw/zinc/37/42/15/592374215.db2.gz VYKPKLNFNCDTKN-RTBURBONSA-N 2 0 334.460 1.274 20 0 EDADRP Clc1cccnc1OCC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903921057 592377925 /nfs/dbraw/zinc/37/79/25/592377925.db2.gz MLLONUKYGAGOJZ-GFCCVEGCSA-N 2 0 336.827 1.420 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN(CCC[NH3+])c2cccc(F)c2)cnn1C ZINC000903921824 592378699 /nfs/dbraw/zinc/37/86/99/592378699.db2.gz RCKCOMDSSXTSRU-OAHLLOKOSA-N 2 0 333.455 1.840 20 0 EDADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903926991 592381356 /nfs/dbraw/zinc/38/13/56/592381356.db2.gz WOOABDGEWXESBT-DOMZBBRYSA-N 2 0 331.468 1.274 20 0 EDADRP [NH3+][C@@H](CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000903929901 592382924 /nfs/dbraw/zinc/38/29/24/592382924.db2.gz NXMXWPHPCZCNFK-OAHLLOKOSA-N 3 0 326.435 1.552 20 0 EDADRP CCn1cc(C[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C(C)C)cn1 ZINC000903933179 592384872 /nfs/dbraw/zinc/38/48/72/592384872.db2.gz ZUEWXVBNHHIONS-INIZCTEOSA-N 2 0 332.496 1.973 20 0 EDADRP NC(=O)c1cc(F)ccc1N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903933380 592385255 /nfs/dbraw/zinc/38/52/55/592385255.db2.gz PUOQEWARJVFJOA-VHRNVKJDSA-N 2 0 346.450 1.577 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903937182 592387285 /nfs/dbraw/zinc/38/72/85/592387285.db2.gz DMJAFFOKFCWGTB-CABCVRRESA-N 2 0 343.431 1.305 20 0 EDADRP C[NH+](C)CCOc1ccc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974613 592398800 /nfs/dbraw/zinc/39/88/00/592398800.db2.gz RXHGTXHEDNKKIY-GOSISDBHSA-N 2 0 347.503 1.875 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCCC1)N1CC[NH+](C)CC1 ZINC000905110301 592410820 /nfs/dbraw/zinc/41/08/20/592410820.db2.gz LZJIVHBFJPAQJN-ROUUACIJSA-N 2 0 341.540 1.294 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)C2(O)CCCC2)(N2CCCCC2)CC1 ZINC000905133140 592430256 /nfs/dbraw/zinc/43/02/56/592430256.db2.gz DLHLIRVDFYDIFC-QGZVFWFLSA-N 2 0 339.524 1.192 20 0 EDADRP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904302439 592472187 /nfs/dbraw/zinc/47/21/87/592472187.db2.gz WILVLBOESBRMTH-MSOLQXFVSA-N 3 0 330.476 1.226 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000905344700 592500777 /nfs/dbraw/zinc/50/07/77/592500777.db2.gz HMHQTXNRLJAHPN-UHFFFAOYSA-N 2 0 348.491 1.423 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905399330 592521384 /nfs/dbraw/zinc/52/13/84/592521384.db2.gz KVVLFSRKMJKCRX-NZSAHSFTSA-N 2 0 348.487 1.247 20 0 EDADRP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2 ZINC000908537622 592528796 /nfs/dbraw/zinc/52/87/96/592528796.db2.gz ZKOKXTGBSKIWLJ-QLOJAFMTSA-N 2 0 349.519 1.822 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)COc1ccccc1)C2 ZINC000905503255 592546021 /nfs/dbraw/zinc/54/60/21/592546021.db2.gz OIEYWDMWKJCBBN-FAJAVTLNSA-N 2 0 348.487 1.496 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000905601111 592575070 /nfs/dbraw/zinc/57/50/70/592575070.db2.gz CYFVAJAOWSVFQK-NVXWUHKLSA-N 2 0 347.532 1.951 20 0 EDADRP CC(C)(C)OC(=O)N1[C@@H]2CC[C@H]1[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C2 ZINC000905691653 592606472 /nfs/dbraw/zinc/60/64/72/592606472.db2.gz VZHPGRJKQJFAPD-QXSJWSMHSA-N 2 0 339.480 1.573 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000907384682 592620696 /nfs/dbraw/zinc/62/06/96/592620696.db2.gz LTUNPEXQURXUJJ-IXDOHACOSA-N 2 0 336.524 1.534 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000906097036 592741265 /nfs/dbraw/zinc/74/12/65/592741265.db2.gz LIPYLWLQNUQZRQ-CABCVRRESA-N 2 0 333.480 1.264 20 0 EDADRP CCCNC(=O)CN1CCC(NC(=O)c2c(C)cc(C)nc2C)CC1 ZINC000906115199 592746737 /nfs/dbraw/zinc/74/67/37/592746737.db2.gz AJZIOCKUKZCHGW-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000906644441 592865434 /nfs/dbraw/zinc/86/54/34/592865434.db2.gz ASGKCZSZYIOFGX-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000906645392 592865880 /nfs/dbraw/zinc/86/58/80/592865880.db2.gz LUMJIRUWZGDJBK-HOTGVXAUSA-N 2 0 344.459 1.562 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000910864364 592898026 /nfs/dbraw/zinc/89/80/26/592898026.db2.gz KSVHAMCKHGQKRE-UHFFFAOYSA-N 2 0 339.524 1.660 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH3+])C1)Cc1ccc(Br)cc1 ZINC000911623420 592967622 /nfs/dbraw/zinc/96/76/22/592967622.db2.gz NKEOKBXFFYROAG-KGLIPLIRSA-N 2 0 340.265 1.659 20 0 EDADRP [NH3+][C@@H](CC(=O)NC[C@@H]1CCCC[NH2+]1)Cc1cc(F)c(F)cc1F ZINC000911713953 592986279 /nfs/dbraw/zinc/98/62/79/592986279.db2.gz MYGZARDJJFWIFB-NEPJUHHUSA-N 2 0 329.366 1.622 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCc2n[nH]cc2[C@@H]1C ZINC000912303558 593085099 /nfs/dbraw/zinc/08/50/99/593085099.db2.gz KMLBZRZCRGSDOT-ZNMIVQPWSA-N 2 0 335.496 1.464 20 0 EDADRP CC(C)[NH+]1CCN(CCCOC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000805611525 593113924 /nfs/dbraw/zinc/11/39/24/593113924.db2.gz XLVXXKVURDARLU-UHFFFAOYSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C1)C2=O ZINC000840116925 593200243 /nfs/dbraw/zinc/20/02/43/593200243.db2.gz RPCQJOXPFPJFSV-LLDVTBCESA-N 2 0 344.459 1.104 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(Cl)Cl ZINC000838672793 593204556 /nfs/dbraw/zinc/20/45/56/593204556.db2.gz WGBOZYCIXDOIKZ-CYBMUJFWSA-N 2 0 339.311 1.705 20 0 EDADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)N1CCCC1 ZINC000838924662 593240546 /nfs/dbraw/zinc/24/05/46/593240546.db2.gz GOTGPIQZGWLEJU-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP Cn1nc(Br)cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000809741320 593357399 /nfs/dbraw/zinc/35/73/99/593357399.db2.gz MTUHNNJXPVXCDF-UHFFFAOYSA-N 2 0 332.290 1.108 20 0 EDADRP C[C@@H]1C[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C[C@H]1C ZINC000840017478 593370910 /nfs/dbraw/zinc/37/09/10/593370910.db2.gz ZEDWDFFQPAHLGG-AHCXZYCDSA-N 2 0 341.455 1.649 20 0 EDADRP CC1=CCN(CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)CC1 ZINC000840038367 593403709 /nfs/dbraw/zinc/40/37/09/593403709.db2.gz UASYZWODGONMJJ-HDICACEKSA-N 2 0 339.439 1.713 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000810755593 593427522 /nfs/dbraw/zinc/42/75/22/593427522.db2.gz XNUGKNKKDOFHGH-IOASZLSFSA-N 2 0 331.501 1.703 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817778668 593631250 /nfs/dbraw/zinc/63/12/50/593631250.db2.gz TZNSRUHHKCZYEC-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817894088 593646464 /nfs/dbraw/zinc/64/64/64/593646464.db2.gz AAMOIGXOXKOCRI-GDLCADMTSA-N 2 0 326.824 1.862 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000817900796 593646990 /nfs/dbraw/zinc/64/69/90/593646990.db2.gz WJRMJBVWSIGOQM-ONGXEEELSA-N 2 0 329.388 1.031 20 0 EDADRP CON(C)C(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000819065437 593737045 /nfs/dbraw/zinc/73/70/45/593737045.db2.gz INNGRRWKRRDEMV-UHFFFAOYSA-N 2 0 335.448 1.143 20 0 EDADRP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000819971999 593780180 /nfs/dbraw/zinc/78/01/80/593780180.db2.gz UOASWUWLHIETSD-UHFFFAOYSA-N 2 0 331.460 1.355 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000824691454 594057251 /nfs/dbraw/zinc/05/72/51/594057251.db2.gz DGKNZHLXBCRHTR-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000825375397 594175564 /nfs/dbraw/zinc/17/55/64/594175564.db2.gz YQDAVLKOCFKNPZ-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000825870432 594266024 /nfs/dbraw/zinc/26/60/24/594266024.db2.gz MFEQLHKBJQBFGR-UHFFFAOYSA-N 2 0 336.465 1.471 20 0 EDADRP Cc1cc(Cl)nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000827892138 594298870 /nfs/dbraw/zinc/29/88/70/594298870.db2.gz GTZQJHIIQSCGBM-ZIAGYGMSSA-N 2 0 338.883 1.855 20 0 EDADRP c1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000826514580 594513344 /nfs/dbraw/zinc/51/33/44/594513344.db2.gz WBQJRSMOQDTGBH-GJZGRUSLSA-N 2 0 328.420 1.462 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907507 594599583 /nfs/dbraw/zinc/59/95/83/594599583.db2.gz QEYDQDLHZLKELN-RTBURBONSA-N 2 0 344.503 1.609 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)c3cccc(C[NH3+])c3)ccn2)CC1 ZINC000827137670 594646638 /nfs/dbraw/zinc/64/66/38/594646638.db2.gz OBWSPNKNEGRAHJ-UHFFFAOYSA-N 2 0 339.443 1.222 20 0 EDADRP CN1CC[C@@H]2C[N@H+](CCCCCC[NH+]3C[C@@H]4CCN(C)[C@@H]4C3)C[C@@H]21 ZINC000831728162 594696957 /nfs/dbraw/zinc/69/69/57/594696957.db2.gz DFPYWRAABUATFF-JVSBHGNQSA-N 2 0 334.552 1.819 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000841018591 594840466 /nfs/dbraw/zinc/84/04/66/594840466.db2.gz XMUIZUSGDNUOIU-RHSMWYFYSA-N 2 0 331.464 1.639 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000841020470 594840627 /nfs/dbraw/zinc/84/06/27/594840627.db2.gz RQQGQQGRMDYWJO-ZIAGYGMSSA-N 2 0 332.448 1.635 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000841030786 594841667 /nfs/dbraw/zinc/84/16/67/594841667.db2.gz VSVQVHXDZIDYGM-LSDHHAIUSA-N 2 0 347.450 1.629 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000841305419 594883278 /nfs/dbraw/zinc/88/32/78/594883278.db2.gz BXURXVFUELFWFI-IRXDYDNUSA-N 2 0 330.432 1.317 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790278 594953435 /nfs/dbraw/zinc/95/34/35/594953435.db2.gz BNCFFYQQAKNNBS-DLBZAZTESA-N 2 0 332.448 1.020 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CC1 ZINC000841845963 594964046 /nfs/dbraw/zinc/96/40/46/594964046.db2.gz CNWBUZWGTRWLGE-JKSUJKDBSA-N 2 0 331.416 1.661 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841846924 594964335 /nfs/dbraw/zinc/96/43/35/594964335.db2.gz DFPSWJRDAGKOOW-DLBZAZTESA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846746 594964493 /nfs/dbraw/zinc/96/44/93/594964493.db2.gz MVDLNTXOELCBHB-APHBMKBZSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847794 594964768 /nfs/dbraw/zinc/96/47/68/594964768.db2.gz UXIQTEFUBVLINF-MLGOLLRUSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847337 594964836 /nfs/dbraw/zinc/96/48/36/594964836.db2.gz UPCQMGTYQHTPPO-OCCSQVGLSA-N 2 0 331.416 1.674 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCCO1 ZINC000841850058 594965231 /nfs/dbraw/zinc/96/52/31/594965231.db2.gz WFSBWBKDFHGOKR-KRWDZBQOSA-N 2 0 340.512 1.792 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000841897543 594976380 /nfs/dbraw/zinc/97/63/80/594976380.db2.gz ZRRRJFXCUBQCME-HKUYNNGSSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000841990320 594996714 /nfs/dbraw/zinc/99/67/14/594996714.db2.gz WUOLXBBQWPAFSE-AEFFLSMTSA-N 2 0 332.492 1.800 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000843261240 595056466 /nfs/dbraw/zinc/05/64/66/595056466.db2.gz GVKNDJKDGPOXBF-INIZCTEOSA-N 2 0 338.496 1.099 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000843330148 595076077 /nfs/dbraw/zinc/07/60/77/595076077.db2.gz RGKTVINWRYHEDR-ZDUSSCGKSA-N 2 0 341.358 1.516 20 0 EDADRP CC(=O)Nc1ccc2c(CN3CCC[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348129 595082098 /nfs/dbraw/zinc/08/20/98/595082098.db2.gz YDOZXCWWLMOSQY-ZDUSSCGKSA-N 2 0 329.400 1.922 20 0 EDADRP COc1ccc(CN(C)C(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843353852 595084221 /nfs/dbraw/zinc/08/42/21/595084221.db2.gz NDMAUHCBYVKYPP-UHFFFAOYSA-N 2 0 349.475 1.864 20 0 EDADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355526 595085328 /nfs/dbraw/zinc/08/53/28/595085328.db2.gz TYRMNWKFQCXEKX-NRXISQOPSA-N 2 0 325.453 1.132 20 0 EDADRP CCN(CCO)CC[NH2+][C@H]1C[C@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404669 595102213 /nfs/dbraw/zinc/10/22/13/595102213.db2.gz WVSNHFQFDCMCEA-GJZGRUSLSA-N 2 0 329.485 1.536 20 0 EDADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843485207 595126144 /nfs/dbraw/zinc/12/61/44/595126144.db2.gz JCTIHEKJAMKMCN-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP CCN1CCN(C(=O)CC2CC[NH+](CCCCCC[NH3+])CC2)CC1 ZINC000846221492 595177278 /nfs/dbraw/zinc/17/72/78/595177278.db2.gz LICZKPIDPVOSPH-UHFFFAOYSA-N 2 0 338.540 1.772 20 0 EDADRP C[NH+](C)C1(C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000840532593 595260744 /nfs/dbraw/zinc/26/07/44/595260744.db2.gz ZCGBNSKCRURZGZ-UHFFFAOYSA-N 2 0 345.487 1.614 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000843073981 595281378 /nfs/dbraw/zinc/28/13/78/595281378.db2.gz WKWAXTPVDCCHGB-RHSMWYFYSA-N 2 0 328.403 1.825 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000844165226 595288379 /nfs/dbraw/zinc/28/83/79/595288379.db2.gz VQXNOSDHKFGULK-UHFFFAOYSA-N 2 0 345.487 1.839 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000844191658 595298494 /nfs/dbraw/zinc/29/84/94/595298494.db2.gz OAOWDITXLUKCDL-UHFFFAOYSA-N 2 0 332.448 1.146 20 0 EDADRP CC[N@H+](CCCNC(=O)CO[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000846687080 595301694 /nfs/dbraw/zinc/30/16/94/595301694.db2.gz BSUGYFLADKGJCO-KRWDZBQOSA-N 2 0 325.497 1.916 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC[C@@H]1[NH3+] ZINC000844220394 595305491 /nfs/dbraw/zinc/30/54/91/595305491.db2.gz VSAPZTNCYBBTAH-YJBOKZPZSA-N 2 0 346.475 1.521 20 0 EDADRP Cn1c(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cnc1Cl ZINC000848547905 595404766 /nfs/dbraw/zinc/40/47/66/595404766.db2.gz SGKCKQZNHXBSFB-MRXNPFEDSA-N 2 0 334.851 1.930 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000845089987 595439819 /nfs/dbraw/zinc/43/98/19/595439819.db2.gz CQUSYQVMTURIGN-ZDUSSCGKSA-N 2 0 344.500 1.288 20 0 EDADRP COc1ccc(OC)c(NC(=[NH2+])NCCCN(C)CC[NH+](C)C)c1 ZINC000849079227 595479116 /nfs/dbraw/zinc/47/91/16/595479116.db2.gz AGERJSNMXPKZPN-UHFFFAOYSA-N 2 0 337.468 1.524 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000849107614 595483015 /nfs/dbraw/zinc/48/30/15/595483015.db2.gz FCVMKHRGMIVAKF-AWEZNQCLSA-N 2 0 338.452 1.997 20 0 EDADRP COCCS(=O)(=O)CCC[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000852754613 595526953 /nfs/dbraw/zinc/52/69/53/595526953.db2.gz XXYQNJBYJOBMPC-MRXNPFEDSA-N 2 0 332.510 1.149 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000852794506 595546364 /nfs/dbraw/zinc/54/63/64/595546364.db2.gz ABJXHVJQDYMHFQ-AWEZNQCLSA-N 2 0 344.419 1.183 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849523870 595558212 /nfs/dbraw/zinc/55/82/12/595558212.db2.gz XSQZKGKGPZGSED-IRXDYDNUSA-N 2 0 335.496 1.256 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)CC2(C)C)cn1 ZINC000849574112 595576612 /nfs/dbraw/zinc/57/66/12/595576612.db2.gz WHJJZTFTBFBNDC-HOTGVXAUSA-N 2 0 333.480 1.008 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849582070 595581282 /nfs/dbraw/zinc/58/12/82/595581282.db2.gz KOIMCJVTTYGMQX-IRXDYDNUSA-N 2 0 335.496 1.256 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000849585909 595582530 /nfs/dbraw/zinc/58/25/30/595582530.db2.gz MZNSOLXZRWOPLJ-CVEARBPZSA-N 2 0 333.480 1.056 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCc2ccccc2C[NH+]2CCCCCC2)=NO1 ZINC000852863520 595583833 /nfs/dbraw/zinc/58/38/33/595583833.db2.gz PNTNFWAODXGBRM-KRWDZBQOSA-N 2 0 344.459 1.782 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000852888019 595599563 /nfs/dbraw/zinc/59/95/63/595599563.db2.gz GYLHJKKHAKZHEP-DJIMGWMZSA-N 2 0 344.459 1.507 20 0 EDADRP CC[C@H]1CN(C(=O)C2=NO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852890678 595601448 /nfs/dbraw/zinc/60/14/48/595601448.db2.gz UYFOYLFUOVAOSO-HOTGVXAUSA-N 2 0 330.432 1.213 20 0 EDADRP CON(C)C(=O)[C@@H](C)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000858324882 595764215 /nfs/dbraw/zinc/76/42/15/595764215.db2.gz JEKYWWCIWPQCKX-OAHLLOKOSA-N 2 0 335.448 1.659 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]CCCC[NH+]2CCN(C)CC2)CC1 ZINC000850422955 595831327 /nfs/dbraw/zinc/83/13/27/595831327.db2.gz JIXAQKRGKPRCEM-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956706 595985925 /nfs/dbraw/zinc/98/59/25/595985925.db2.gz ZVYXHIMMNJFGMB-HOCLYGCPSA-N 2 0 329.485 1.534 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]23OCCC[C@H]2C3(F)F)CC[NH2+]CC1 ZINC000854228548 596008022 /nfs/dbraw/zinc/00/80/22/596008022.db2.gz AINKERMBTONWDG-ZENOOKHLSA-N 2 0 346.418 1.712 20 0 EDADRP c1ncn2c1C[NH+](CCCCCC[N@@H+]1CCn3cncc3C1)CC2 ZINC000852064634 596029133 /nfs/dbraw/zinc/02/91/33/596029133.db2.gz CJZWVPQIALZFAK-UHFFFAOYSA-N 2 0 328.464 1.971 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852064201 596030495 /nfs/dbraw/zinc/03/04/95/596030495.db2.gz VOSUJPDWRMZMSV-ULQDDVLXSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000852185683 596075630 /nfs/dbraw/zinc/07/56/30/596075630.db2.gz ROSSPAVRKQGGDV-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861717215 596078217 /nfs/dbraw/zinc/07/82/17/596078217.db2.gz YQWNNHDDXALRNZ-MOPGFXCFSA-N 2 0 343.471 1.102 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCC[NH+](C(C)C)C(C)C)C[C@@H]1C ZINC000120077914 596243604 /nfs/dbraw/zinc/24/36/04/596243604.db2.gz YJKTYEVMKPEPSR-CALCHBBNSA-N 2 0 342.528 1.856 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)CS(N)(=O)=O)[C@H](C)C1 ZINC000866570474 596254270 /nfs/dbraw/zinc/25/42/70/596254270.db2.gz MEFDQDIYPUPSCH-HUUCEWRRSA-N 2 0 349.541 1.028 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000866577561 596256626 /nfs/dbraw/zinc/25/66/26/596256626.db2.gz LNCLYDMAELPDTL-PBHICJAKSA-N 2 0 339.505 1.457 20 0 EDADRP C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870858536 596379860 /nfs/dbraw/zinc/37/98/60/596379860.db2.gz VMULMWWRVMQJHZ-CYBMUJFWSA-N 2 0 326.238 1.659 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cn2)CC1 ZINC000870866794 596382529 /nfs/dbraw/zinc/38/25/29/596382529.db2.gz MWVUUYRMFQESGB-QAQDUYKDSA-N 2 0 345.491 1.357 20 0 EDADRP [NH3+]CC1(CCNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870949376 596416111 /nfs/dbraw/zinc/41/61/11/596416111.db2.gz CQVGABQHZTWEEE-GFCCVEGCSA-N 2 0 326.238 1.694 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1(C)C ZINC000870993723 596432586 /nfs/dbraw/zinc/43/25/86/596432586.db2.gz KZSDDKVEUCKMAK-XWIAVFTESA-N 2 0 325.497 1.742 20 0 EDADRP C/C=C/C[C@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000863341055 596556484 /nfs/dbraw/zinc/55/64/84/596556484.db2.gz TZTUMIKWBXBTAF-BWPKMQGJSA-N 2 0 334.464 1.638 20 0 EDADRP [NH3+]CCCOCC[NH2+]Cc1ccccc1I ZINC000863483829 596594782 /nfs/dbraw/zinc/59/47/82/596594782.db2.gz FBDJKSPSOHDQSN-UHFFFAOYSA-N 2 0 334.201 1.746 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863552539 596615826 /nfs/dbraw/zinc/61/58/26/596615826.db2.gz MJEXEMOUAXLQBS-CABCVRRESA-N 2 0 327.469 1.432 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650859 596644780 /nfs/dbraw/zinc/64/47/80/596644780.db2.gz DFWRMDAGWRCGTF-DSLXNQLJSA-N 2 0 327.472 1.919 20 0 EDADRP COCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCCC1 ZINC000870016370 596708904 /nfs/dbraw/zinc/70/89/04/596708904.db2.gz LSVRHSIRGWLWCV-IAGOWNOFSA-N 2 0 339.524 1.781 20 0 EDADRP CCc1[nH]nc(Cl)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016369 596708963 /nfs/dbraw/zinc/70/89/63/596708963.db2.gz LSQHCRBHLPCNPJ-VXGBXAGGSA-N 2 0 341.887 1.437 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cccnc3n2)C[C@H]1C[NH+](C)C ZINC000870017399 596709672 /nfs/dbraw/zinc/70/96/72/596709672.db2.gz MPGIFHQZTGHDSE-HZPDHXFCSA-N 2 0 341.459 1.441 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc3c2C(=O)CCC3)C[C@H]1C[NH+](C)C ZINC000870017550 596709688 /nfs/dbraw/zinc/70/96/88/596709688.db2.gz PSFCQHGSFOXUHD-ZIAGYGMSSA-N 2 0 347.459 1.610 20 0 EDADRP COc1cccc([C@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870022899 596713087 /nfs/dbraw/zinc/71/30/87/596713087.db2.gz DBRAQDAJZWDTRD-CGTJXYLNSA-N 2 0 347.503 1.997 20 0 EDADRP CC(C)Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870022815 596713352 /nfs/dbraw/zinc/71/33/52/596713352.db2.gz YYJITYWBQBEYPX-IAGOWNOFSA-N 2 0 335.496 1.351 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868228752 596735989 /nfs/dbraw/zinc/73/59/89/596735989.db2.gz KCWNGDSOMLHIHK-RRQGHBQHSA-N 2 0 344.459 1.286 20 0 EDADRP Cc1cc(C(F)(F)F)nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866012023 596757604 /nfs/dbraw/zinc/75/76/04/596757604.db2.gz OQQJJPSACGFESC-CHWSQXEVSA-N 2 0 345.413 1.979 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000868305403 596780121 /nfs/dbraw/zinc/78/01/21/596780121.db2.gz YQKGFYATYQXGKU-WKILWMFISA-N 2 0 344.459 1.117 20 0 EDADRP CC1(C)CO[C@H](C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)C1 ZINC000872144689 596810088 /nfs/dbraw/zinc/81/00/88/596810088.db2.gz ILKRBAYQUHZMRZ-XHSDSOJGSA-N 2 0 336.480 1.022 20 0 EDADRP CC1(C)CO[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144692 596810280 /nfs/dbraw/zinc/81/02/80/596810280.db2.gz DQFMGUAJLAHAMN-CVEARBPZSA-N 2 0 347.507 1.814 20 0 EDADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157232 596815682 /nfs/dbraw/zinc/81/56/82/596815682.db2.gz NTYJHFPQLJQQKW-GDBMZVCRSA-N 2 0 331.526 1.545 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000872186522 596825139 /nfs/dbraw/zinc/82/51/39/596825139.db2.gz KSXZNOVDDQNMOS-UHFFFAOYSA-N 2 0 338.496 1.051 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000872189367 596827343 /nfs/dbraw/zinc/82/73/43/596827343.db2.gz GJQOFLQXEFHBNP-INIZCTEOSA-N 2 0 338.496 1.051 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)C1 ZINC000875706121 596953823 /nfs/dbraw/zinc/95/38/23/596953823.db2.gz AFMBSXQJUQZRTD-HRCADAONSA-N 2 0 338.496 1.148 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1C1CCOCC1 ZINC000876165270 597118468 /nfs/dbraw/zinc/11/84/68/597118468.db2.gz NYUQSLCUJXMBCB-IRXDYDNUSA-N 2 0 340.512 1.184 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000873111471 597199792 /nfs/dbraw/zinc/19/97/92/597199792.db2.gz ANKOTDXJUNDOSW-CVEARBPZSA-N 2 0 330.432 1.087 20 0 EDADRP CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cc2c(s1)CC[NH2+]C2 ZINC000873203488 597226103 /nfs/dbraw/zinc/22/61/03/597226103.db2.gz FBONNDFIYJILEQ-OAHLLOKOSA-N 2 0 342.505 1.628 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NCC[NH+](C(C)C)C(C)C ZINC000874989903 597233846 /nfs/dbraw/zinc/23/38/46/597233846.db2.gz SOVNWVCLCVQMRC-MRXNPFEDSA-N 2 0 328.501 1.515 20 0 EDADRP COc1ccc([C@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873235111 597234765 /nfs/dbraw/zinc/23/47/65/597234765.db2.gz JHOONSUBDXXTGS-WDSOQIARSA-N 2 0 347.503 1.923 20 0 EDADRP C[C@@H]([NH2+][C@H](C)C1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000873265225 597243329 /nfs/dbraw/zinc/24/33/29/597243329.db2.gz LNIIQIJWYNWDHS-ZIAGYGMSSA-N 2 0 339.505 1.976 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(-n2cnnn2)cc1 ZINC000873290299 597249410 /nfs/dbraw/zinc/24/94/10/597249410.db2.gz CGPYDELYGGUAMP-YOEHRIQHSA-N 2 0 342.447 1.472 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000876728483 597308699 /nfs/dbraw/zinc/30/86/99/597308699.db2.gz NLBBGQXEQFSZNB-UUJPXIBMSA-N 2 0 337.533 1.876 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876739267 597315633 /nfs/dbraw/zinc/31/56/33/597315633.db2.gz BUJAGMMSGYLGCA-SJORKVTESA-N 2 0 347.507 1.966 20 0 EDADRP CN(C(=O)CC[NH2+]CC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876742703 597317787 /nfs/dbraw/zinc/31/77/87/597317787.db2.gz RHWCYAMTLYPYNX-UHFFFAOYSA-N 2 0 344.503 1.937 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)CC1 ZINC000876747215 597319905 /nfs/dbraw/zinc/31/99/05/597319905.db2.gz YBYADRUJGXQIJT-VVLHAWIVSA-N 2 0 336.524 1.377 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876753955 597322693 /nfs/dbraw/zinc/32/26/93/597322693.db2.gz LDXBVDMRWHUUDX-RUJXFNLJSA-N 2 0 345.487 1.842 20 0 EDADRP Cc1cc(NC(=O)CCC23CC(C2)C[NH2+]3)n(C2CC[NH+](C)CC2)n1 ZINC000876769186 597332074 /nfs/dbraw/zinc/33/20/74/597332074.db2.gz SJSWTNWIESUMSZ-UHFFFAOYSA-N 2 0 331.464 1.929 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000876772541 597333760 /nfs/dbraw/zinc/33/37/60/597333760.db2.gz DLAOENRWAVWGIR-MRXNPFEDSA-N 2 0 327.432 1.225 20 0 EDADRP C[C@H](NC(=O)/C=C/[C@@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000876773434 597333975 /nfs/dbraw/zinc/33/39/75/597333975.db2.gz QUBWKFPBIRTYFT-SGUAIBKKSA-N 2 0 335.492 1.692 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1(F)F ZINC000876774910 597335404 /nfs/dbraw/zinc/33/54/04/597335404.db2.gz JYFSWHCEQXQCRW-ZIAGYGMSSA-N 2 0 345.434 1.225 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)/C=C/[C@H]3CCC[NH2+]C3)cn2)CC1 ZINC000876780083 597337925 /nfs/dbraw/zinc/33/79/25/597337925.db2.gz CNLXWLUHYYBFEK-BIENSFFJSA-N 2 0 343.475 1.005 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000876781369 597338331 /nfs/dbraw/zinc/33/83/31/597338331.db2.gz GVOADVYLYCJSBC-DOTOQJQBSA-N 2 0 334.439 1.320 20 0 EDADRP CN(CCN1CCN(c2ccccc2)CC1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876784441 597339725 /nfs/dbraw/zinc/33/97/25/597339725.db2.gz FYQAMMBKKMBDGL-WMZOPIPTSA-N 2 0 348.466 1.215 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876807196 597346697 /nfs/dbraw/zinc/34/66/97/597346697.db2.gz YSMOBNUOJOQOHH-QGZVFWFLSA-N 2 0 334.489 1.744 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876851357 597359107 /nfs/dbraw/zinc/35/91/07/597359107.db2.gz JZDLKKXTEPSWEG-YJBOKZPZSA-N 2 0 331.464 1.332 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876897422 597375969 /nfs/dbraw/zinc/37/59/69/597375969.db2.gz RXIIPUHTAXXQOG-UGFHNGPFSA-N 2 0 338.402 1.563 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876898531 597376629 /nfs/dbraw/zinc/37/66/29/597376629.db2.gz SKXUTJAITMFOJA-UKPHBRMFSA-N 2 0 334.439 1.671 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000876933358 597389723 /nfs/dbraw/zinc/38/97/23/597389723.db2.gz NEPTXNZFYAKSJM-HNNXBMFYSA-N 2 0 339.505 1.936 20 0 EDADRP [NH3+]CC12CCC(CC1)CN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876941607 597391272 /nfs/dbraw/zinc/39/12/72/597391272.db2.gz IFZSTFCXSNCWLR-UHFFFAOYSA-N 2 0 334.489 1.954 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000876970452 597402140 /nfs/dbraw/zinc/40/21/40/597402140.db2.gz RPQYWJXFSISQAB-DLBZAZTESA-N 2 0 347.507 1.966 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876996410 597407111 /nfs/dbraw/zinc/40/71/11/597407111.db2.gz SXJMDAYROPSJFW-HNNXBMFYSA-N 2 0 338.883 1.955 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC1(C[NH3+])CCOCC1 ZINC000877044078 597420823 /nfs/dbraw/zinc/42/08/23/597420823.db2.gz UXQUUMUKBPTMPW-UHFFFAOYSA-N 2 0 338.477 1.156 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000877081559 597427996 /nfs/dbraw/zinc/42/79/96/597427996.db2.gz PPXMZVZVDYKJPD-LSDHHAIUSA-N 2 0 327.444 1.037 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877132570 597439682 /nfs/dbraw/zinc/43/96/82/597439682.db2.gz HQBYSZDOQVJRND-NZSAHSFTSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCOC1 ZINC000875468851 597441912 /nfs/dbraw/zinc/44/19/12/597441912.db2.gz DIDMUIAEMUMVLF-YLFCFFPRSA-N 2 0 340.512 1.182 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCC(C)(C)C[NH2+]3)ccn2)CC1 ZINC000877152647 597444716 /nfs/dbraw/zinc/44/47/16/597444716.db2.gz PBDRFNDTJTYCRU-MRXNPFEDSA-N 2 0 345.491 1.341 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C4CCC3(C[NH3+])CC4)c2)CC1 ZINC000877188775 597456245 /nfs/dbraw/zinc/45/62/45/597456245.db2.gz IGIIVGFZDYBSKD-UHFFFAOYSA-N 2 0 342.487 1.530 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@]2(C[NH3+])CCCOC2)(c2ccccc2)CC1 ZINC000877225429 597466688 /nfs/dbraw/zinc/46/66/88/597466688.db2.gz UMMNFRGPRHLZQU-FQEVSTJZSA-N 2 0 345.487 1.522 20 0 EDADRP C[NH+]1CCC(CNC(=O)C[C@@H]2COCC[NH2+]2)(c2ccccc2)CC1 ZINC000877224785 597466930 /nfs/dbraw/zinc/46/69/30/597466930.db2.gz OOJDRTPKYVRDJC-QGZVFWFLSA-N 2 0 331.460 1.145 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000877231493 597470798 /nfs/dbraw/zinc/47/07/98/597470798.db2.gz MOGVCSWHOAIGIM-SFHVURJKSA-N 2 0 331.460 1.312 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877341173 597495810 /nfs/dbraw/zinc/49/58/10/597495810.db2.gz VBJVJOPXSWVWPR-PKOBYXMFSA-N 2 0 339.439 1.396 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000877355059 597499419 /nfs/dbraw/zinc/49/94/19/597499419.db2.gz GDACGBVWNUEOAQ-MRTMQBJTSA-N 2 0 333.276 1.124 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1C(F)(F)F ZINC000877372051 597503875 /nfs/dbraw/zinc/50/38/75/597503875.db2.gz YKMZHZXWZLAEBT-CHWSQXEVSA-N 2 0 327.350 1.078 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2CCC(C)(C)CO2)CC1 ZINC000878230602 597588487 /nfs/dbraw/zinc/58/84/87/597588487.db2.gz QHPOYBKHUSXXFD-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883091279 597645440 /nfs/dbraw/zinc/64/54/40/597645440.db2.gz JLHXMTUYSJVERZ-AWEZNQCLSA-N 2 0 337.537 1.325 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)c(C)c1OC ZINC000878620407 597657889 /nfs/dbraw/zinc/65/78/89/597657889.db2.gz PZKBDSNZPLPSPZ-AWEZNQCLSA-N 2 0 349.475 1.873 20 0 EDADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CCCOC1 ZINC000883234464 597691224 /nfs/dbraw/zinc/69/12/24/597691224.db2.gz GMEWKYXIUFVRDI-UFYCRDLUSA-N 2 0 348.487 1.784 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883301846 597707550 /nfs/dbraw/zinc/70/75/50/597707550.db2.gz JVXABBLEIUMAQM-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP CC1(C)CCC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)O1 ZINC000883424301 597741778 /nfs/dbraw/zinc/74/17/78/597741778.db2.gz NMYOSBCETJATCR-GVDBMIGSSA-N 2 0 337.508 1.914 20 0 EDADRP COCC[N@H+](CCc1ccc(C(N)=O)cc1)CC1CC[NH+](C)CC1 ZINC000879125688 597827756 /nfs/dbraw/zinc/82/77/56/597827756.db2.gz GHPWFEUZOUNPPP-UHFFFAOYSA-N 2 0 333.476 1.618 20 0 EDADRP C[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064267 597828288 /nfs/dbraw/zinc/82/82/88/597828288.db2.gz LOQLIRHWLOXKGL-AAEUAGOBSA-N 2 0 337.386 1.239 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000127641121 597883124 /nfs/dbraw/zinc/88/31/24/597883124.db2.gz QNYCGVDOXBHJKQ-ZIAGYGMSSA-N 2 0 331.416 1.534 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)c1csc(-c2ncc[nH]2)n1 ZINC000880669835 597992325 /nfs/dbraw/zinc/99/23/25/597992325.db2.gz JDRBRHRTLWAQCX-UHFFFAOYSA-N 2 0 336.465 1.147 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000884185861 598018216 /nfs/dbraw/zinc/01/82/16/598018216.db2.gz JULPTLXQASQXKM-QAPCUYQASA-N 2 0 333.476 1.899 20 0 EDADRP CN(C(=O)[C@H]1C[NH2+]CC1(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000884206583 598028389 /nfs/dbraw/zinc/02/83/89/598028389.db2.gz YPZLWFBTVOQYEQ-GOSISDBHSA-N 2 0 344.503 1.793 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000884218399 598032072 /nfs/dbraw/zinc/03/20/72/598032072.db2.gz NJSLSMLVJGRHSR-MRXNPFEDSA-N 2 0 340.512 1.055 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000884300714 598058962 /nfs/dbraw/zinc/05/89/62/598058962.db2.gz GAJGIXOXSASAKY-RVKKMQEKSA-N 2 0 340.471 1.886 20 0 EDADRP C[C@@H](CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[NH+](C)C ZINC000884401261 598093974 /nfs/dbraw/zinc/09/39/74/598093974.db2.gz JKSWZFLTDBLVTR-GXFFZTMASA-N 2 0 328.254 1.905 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000884412158 598097326 /nfs/dbraw/zinc/09/73/26/598097326.db2.gz KCEDYBGUZZEBCJ-DLBZAZTESA-N 2 0 338.540 1.623 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000884419863 598100160 /nfs/dbraw/zinc/10/01/60/598100160.db2.gz CZNKRPQUWMUEIQ-SFHVURJKSA-N 2 0 349.475 1.468 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCC1(C)C ZINC000884464827 598113093 /nfs/dbraw/zinc/11/30/93/598113093.db2.gz DBEKWXDGZDPTBC-UHFFFAOYSA-N 2 0 331.464 1.048 20 0 EDADRP Cc1cncn1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992746054 695272704 /nfs/dbraw/zinc/27/27/04/695272704.db2.gz JGPDBZXYRJGKHR-BHYGNILZSA-N 2 0 343.431 1.596 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000915119173 695746148 /nfs/dbraw/zinc/74/61/48/695746148.db2.gz MXBNTFPQJWPIDY-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993737035 696340168 /nfs/dbraw/zinc/34/01/68/696340168.db2.gz BGAIMKONGRRJLC-CRAIPNDOSA-N 2 0 347.507 1.539 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1CCn1cccn1 ZINC000993929363 696448378 /nfs/dbraw/zinc/44/83/78/696448378.db2.gz PKWMLAAXRJWBPW-AEFFLSMTSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001015705424 696593551 /nfs/dbraw/zinc/59/35/51/696593551.db2.gz LDPFCIMZHPNTNC-WBVHZDCISA-N 2 0 349.450 1.737 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000916807014 696784399 /nfs/dbraw/zinc/78/43/99/696784399.db2.gz ATVVIUBKRUYDHM-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1ccns1 ZINC000994403444 696825776 /nfs/dbraw/zinc/82/57/76/696825776.db2.gz CFLIGANBTNOPMA-HOCLYGCPSA-N 2 0 336.505 1.751 20 0 EDADRP Cc1nc(CN2CCC[C@H](NC(=O)Cn3ccnc3C)[C@@H]2C)c(C)o1 ZINC000994421533 696842882 /nfs/dbraw/zinc/84/28/82/696842882.db2.gz MHZWFYFUBBCYOE-LRDDRELGSA-N 2 0 345.447 1.966 20 0 EDADRP Cc1nccn1CC(=O)NC1CN(Cc2cccc3c2CCOC3)C1 ZINC001031392160 697015713 /nfs/dbraw/zinc/01/57/13/697015713.db2.gz YMHLODXYXPYLAX-UHFFFAOYSA-N 2 0 340.427 1.265 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC001031585398 697281142 /nfs/dbraw/zinc/28/11/42/697281142.db2.gz WORAYWOYPNDJBR-SFHVURJKSA-N 2 0 343.471 1.306 20 0 EDADRP Cc1cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)nc(N)[nH+]1 ZINC000919964430 697373277 /nfs/dbraw/zinc/37/32/77/697373277.db2.gz CQYXTFJNAXGLRG-UHFFFAOYSA-N 2 0 333.358 1.458 20 0 EDADRP C[NH+]1CCC(NC(=S)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000920308029 697419169 /nfs/dbraw/zinc/41/91/69/697419169.db2.gz WGIMLGMTYUKPQK-UHFFFAOYSA-N 2 0 347.532 1.819 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031667016 697447876 /nfs/dbraw/zinc/44/78/76/697447876.db2.gz VNPSOLSQSQVJBH-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688265 697519857 /nfs/dbraw/zinc/51/98/57/697519857.db2.gz BYJVCIRIFGQJOP-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688912 697528355 /nfs/dbraw/zinc/52/83/55/697528355.db2.gz NJPBOFPHWREMOW-ROUUACIJSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@@H](O)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000921231684 697535158 /nfs/dbraw/zinc/53/51/58/697535158.db2.gz BDJDHPXRIORZFU-BDXSIMOUSA-N 2 0 325.497 1.017 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2nc(CN(C)C)cs2)C[N@@H+]1C1CC1 ZINC000921382664 697581380 /nfs/dbraw/zinc/58/13/80/697581380.db2.gz HMNHROUJQUZPJR-VXGBXAGGSA-N 2 0 337.493 1.629 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCO)CC1 ZINC000948575119 700162811 /nfs/dbraw/zinc/16/28/11/700162811.db2.gz PXMMIKLMZMVFRY-IAGOWNOFSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000921435229 697611390 /nfs/dbraw/zinc/61/13/90/697611390.db2.gz XARNFLNBHUZCQA-SYAUCNOPSA-N 2 0 338.521 1.348 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031729601 698054931 /nfs/dbraw/zinc/05/49/31/698054931.db2.gz QOIQPVNVERUPAA-KRWDZBQOSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000940123568 700256804 /nfs/dbraw/zinc/25/68/04/700256804.db2.gz MLQAFSBCRILDOJ-JKSUJKDBSA-N 2 0 347.507 1.621 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C[C@H]2C)CC1 ZINC000943756431 698831317 /nfs/dbraw/zinc/83/13/17/698831317.db2.gz PSVIMVTWEKUAPQ-SJLPKXTDSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000995151839 701552102 /nfs/dbraw/zinc/55/21/02/701552102.db2.gz JCCUAYWMYHRKEI-CHWSQXEVSA-N 2 0 333.461 1.792 20 0 EDADRP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001031771785 699093637 /nfs/dbraw/zinc/09/36/37/699093637.db2.gz IMQPRHITOXSEDF-GOSISDBHSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939128054 699206224 /nfs/dbraw/zinc/20/62/24/699206224.db2.gz HCKPDAXAOXGQFZ-GJZGRUSLSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137099 699224143 /nfs/dbraw/zinc/22/41/43/699224143.db2.gz FGYIMZWDASHAAE-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939257020 699434521 /nfs/dbraw/zinc/43/45/21/699434521.db2.gz IGIQHLMMMFQHPP-BBRMVZONSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939257748 699435063 /nfs/dbraw/zinc/43/50/63/699435063.db2.gz NIGGHYZCXQDQFC-CXAGYDPISA-N 2 0 348.491 1.960 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)C1 ZINC001031817588 699533158 /nfs/dbraw/zinc/53/31/58/699533158.db2.gz KXQALXGPHBASGX-QGZVFWFLSA-N 2 0 342.443 1.811 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939388786 699541020 /nfs/dbraw/zinc/54/10/20/699541020.db2.gz OPGIRHBFNBTEFZ-KDOFPFPSSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939399569 699548787 /nfs/dbraw/zinc/54/87/87/699548787.db2.gz YTZFNMOVSBLLTL-QAPCUYQASA-N 2 0 348.466 1.889 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164918 701604627 /nfs/dbraw/zinc/60/46/27/701604627.db2.gz CCHLXKFJHLCQCH-HZPDHXFCSA-N 2 0 346.475 1.762 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cc1 ZINC000939546433 699688462 /nfs/dbraw/zinc/68/84/62/699688462.db2.gz SCOUTGXOPTYANZ-YJBOKZPZSA-N 2 0 343.471 1.728 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941677382 701615935 /nfs/dbraw/zinc/61/59/35/701615935.db2.gz NWMISEYHLJLFOT-UHFFFAOYSA-N 2 0 348.535 1.491 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)no1 ZINC000995003853 699890387 /nfs/dbraw/zinc/89/03/87/699890387.db2.gz CPMXSNAVJSTUAX-HZPDHXFCSA-N 2 0 346.475 1.986 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](CC3=CCCCC3)C2)CC1 ZINC000941665484 701619343 /nfs/dbraw/zinc/61/93/43/701619343.db2.gz GAZCXNJBCNBJTM-UHFFFAOYSA-N 2 0 346.519 1.411 20 0 EDADRP Cc1oncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995004369 699902685 /nfs/dbraw/zinc/90/26/85/699902685.db2.gz CZKCBTXKSYZSJE-WBVHZDCISA-N 2 0 346.475 1.986 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939756728 699923308 /nfs/dbraw/zinc/92/33/08/699923308.db2.gz WDBQIXZMJZWSCY-FUHWJXTLSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001031850425 699942098 /nfs/dbraw/zinc/94/20/98/699942098.db2.gz ZTPZLCFARNIYPQ-DYVFJYSZSA-N 2 0 328.416 1.563 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)CCC1 ZINC000940150326 700263745 /nfs/dbraw/zinc/26/37/45/700263745.db2.gz WQJMCMDWWWDHDM-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001032119099 701628712 /nfs/dbraw/zinc/62/87/12/701628712.db2.gz FHRMCRUKXDXYKU-SFHVURJKSA-N 2 0 347.507 1.586 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)[nH]1 ZINC000940179473 700313533 /nfs/dbraw/zinc/31/35/33/700313533.db2.gz VKNGKCHICSUFAR-AWEZNQCLSA-N 2 0 334.468 1.068 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940328015 700505618 /nfs/dbraw/zinc/50/56/18/700505618.db2.gz CKZXFRJRFKEYIM-CZUORRHYSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940328103 700505919 /nfs/dbraw/zinc/50/59/19/700505919.db2.gz FNEBXNKJYQLURO-YOEHRIQHSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940329251 700508372 /nfs/dbraw/zinc/50/83/72/700508372.db2.gz SJQDUBVHKHWRQM-HNNXBMFYSA-N 2 0 333.480 1.375 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426305 700620120 /nfs/dbraw/zinc/62/01/20/700620120.db2.gz OWAZVZMGGGKZQN-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427588 700621810 /nfs/dbraw/zinc/62/18/10/700621810.db2.gz LKUDYSVCIOOZPG-UHFFFAOYSA-N 2 0 332.448 1.550 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995077483 700660678 /nfs/dbraw/zinc/66/06/78/700660678.db2.gz HIOZXQSLQQCSEH-GOEBONIOSA-N 2 0 334.464 1.699 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940462061 700665699 /nfs/dbraw/zinc/66/56/99/700665699.db2.gz YWGUFFPPVIPJAH-OAHLLOKOSA-N 2 0 348.495 1.029 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccns3)C2)CC1 ZINC000995077853 700675814 /nfs/dbraw/zinc/67/58/14/700675814.db2.gz IEJCERHBZIZKFE-ZFWWWQNUSA-N 2 0 336.505 1.859 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029706 701070400 /nfs/dbraw/zinc/07/04/00/701070400.db2.gz ZIHNXBOKJXAJHI-JKSUJKDBSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033984 701077703 /nfs/dbraw/zinc/07/77/03/701077703.db2.gz ZDVTXEWBSXZPTM-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001031922791 701091633 /nfs/dbraw/zinc/09/16/33/701091633.db2.gz JZIVMULROITSOG-LPHOPBHVSA-N 2 0 345.487 1.905 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995123559 701175308 /nfs/dbraw/zinc/17/53/08/701175308.db2.gz XICRHHSRJLNXFA-IAGOWNOFSA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](Cc2cccnc2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166862 701377597 /nfs/dbraw/zinc/37/75/97/701377597.db2.gz JUELDUFBUUVEJJ-KRWDZBQOSA-N 2 0 342.487 1.894 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000995136844 701446891 /nfs/dbraw/zinc/44/68/91/701446891.db2.gz WLXJZFIRYNWQAT-JKSUJKDBSA-N 2 0 349.479 1.484 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999173604 706604789 /nfs/dbraw/zinc/60/47/89/706604789.db2.gz JZWAXKDMTJFNHL-RDJZCZTQSA-N 2 0 348.516 1.608 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941443220 701535372 /nfs/dbraw/zinc/53/53/72/701535372.db2.gz LTCJSYAFNLAYTJ-SFHVURJKSA-N 2 0 348.535 1.489 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941456901 701543261 /nfs/dbraw/zinc/54/32/61/701543261.db2.gz VNQXGOCPUUXSSU-PKOBYXMFSA-N 2 0 346.519 1.242 20 0 EDADRP C[C@H]1CCCC[C@H]1OCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130992 701848541 /nfs/dbraw/zinc/84/85/41/701848541.db2.gz DMFKJVNLSDUDNT-FUHWJXTLSA-N 2 0 349.519 1.726 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2ccns2)C1 ZINC000999177355 706619868 /nfs/dbraw/zinc/61/98/68/706619868.db2.gz XZPVDHSHYDVZRF-GOEBONIOSA-N 2 0 334.489 1.566 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977129 702010866 /nfs/dbraw/zinc/01/08/66/702010866.db2.gz WZRDPTZGRJRUTI-YWZLYKJASA-N 2 0 341.499 1.921 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000995825296 702096777 /nfs/dbraw/zinc/09/67/77/702096777.db2.gz RSSDCYLAJRHZAV-MSOLQXFVSA-N 2 0 342.487 1.750 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CC[C@@H]3CCCO3)C(C)(C)C2)CCC1 ZINC000995884646 702218674 /nfs/dbraw/zinc/21/86/74/702218674.db2.gz GXHKLAQTPRBVMU-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000999221392 706651908 /nfs/dbraw/zinc/65/19/08/706651908.db2.gz APEDERPNBRSIEN-UHFFFAOYSA-N 2 0 345.491 1.738 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)C1 ZINC001032185866 702310034 /nfs/dbraw/zinc/31/00/34/702310034.db2.gz DKSVLIIXZJRHOS-OAHLLOKOSA-N 2 0 335.423 1.204 20 0 EDADRP CC(C)[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000995956151 702321475 /nfs/dbraw/zinc/32/14/75/702321475.db2.gz GUPARCWMGFNVEK-HNNXBMFYSA-N 2 0 325.497 1.580 20 0 EDADRP CC[C@@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C)C(N)=O ZINC000996044525 702438837 /nfs/dbraw/zinc/43/88/37/702438837.db2.gz TWNNIVNPYISALH-HUUCEWRRSA-N 2 0 343.431 1.038 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944156688 702452630 /nfs/dbraw/zinc/45/26/30/702452630.db2.gz VORHLBDKSAJLKG-DYVFJYSZSA-N 2 0 346.475 1.714 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942055588 702502388 /nfs/dbraw/zinc/50/23/88/702502388.db2.gz BEGGIIJKVSMFBU-HZPDHXFCSA-N 2 0 335.496 1.541 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@H](NCc3cnon3)C(C)(C)C2)CC[N@@H+]1C ZINC000996198216 702624702 /nfs/dbraw/zinc/62/47/02/702624702.db2.gz UFQPPIKPHIICFM-YDHLFZDLSA-N 2 0 335.452 1.127 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996224448 702634316 /nfs/dbraw/zinc/63/43/16/702634316.db2.gz WGCKSXSISVXCPA-KRWDZBQOSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996243086 702647440 /nfs/dbraw/zinc/64/74/40/702647440.db2.gz CBZDLVQUCRVVCW-DLBZAZTESA-N 2 0 349.523 1.641 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996246633 702650060 /nfs/dbraw/zinc/65/00/60/702650060.db2.gz JHRBBJBTASMOID-KRWDZBQOSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995211006 702682213 /nfs/dbraw/zinc/68/22/13/702682213.db2.gz MOBQCWBYOZBUIQ-HZPDHXFCSA-N 2 0 334.464 1.762 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300443 702691817 /nfs/dbraw/zinc/69/18/17/702691817.db2.gz MGVXVTAWDFYVOL-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302692 702694922 /nfs/dbraw/zinc/69/49/22/702694922.db2.gz YVVKXQJEDPZONW-NVXWUHKLSA-N 2 0 330.476 1.750 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2 ZINC001040953209 702802424 /nfs/dbraw/zinc/80/24/24/702802424.db2.gz KXCRNUKEHKIAEH-QGZVFWFLSA-N 2 0 337.508 1.558 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478213 702810099 /nfs/dbraw/zinc/81/00/99/702810099.db2.gz QUEJWBNCGQAKSN-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996503457 702825226 /nfs/dbraw/zinc/82/52/26/702825226.db2.gz YYXXCJPPQWNFKO-ZFWWWQNUSA-N 2 0 349.504 1.493 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)cn1 ZINC000996522688 702858453 /nfs/dbraw/zinc/85/84/53/702858453.db2.gz YLLXGJLNQUHCEU-MRXNPFEDSA-N 2 0 343.475 1.207 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996559136 702873420 /nfs/dbraw/zinc/87/34/20/702873420.db2.gz BDRAHIKQZMXHRW-ROUUACIJSA-N 2 0 335.492 1.478 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cc2[nH]cnc2C)CC1(C)C ZINC000996562389 702876053 /nfs/dbraw/zinc/87/60/53/702876053.db2.gz KNUNSKWYINRTMJ-OAHLLOKOSA-N 2 0 344.463 1.504 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000996559734 702877983 /nfs/dbraw/zinc/87/79/83/702877983.db2.gz DLJFAISXCHIBGF-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607600 702910715 /nfs/dbraw/zinc/91/07/15/702910715.db2.gz CUVVJKGOBIIJAW-ZBFHGGJFSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)s1 ZINC000996610330 702915396 /nfs/dbraw/zinc/91/53/96/702915396.db2.gz IIVAUVAVXOIPPY-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC000996610127 702921104 /nfs/dbraw/zinc/92/11/04/702921104.db2.gz YPHHHYDGJUMLFR-SQWLQELKSA-N 2 0 331.464 1.458 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)c1cnccn1 ZINC000996664736 702967040 /nfs/dbraw/zinc/96/70/40/702967040.db2.gz IIYAODJMHNOCOU-AWEZNQCLSA-N 2 0 331.464 1.603 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996664807 702967171 /nfs/dbraw/zinc/96/71/71/702967171.db2.gz JCOIXKDANQJYFX-UHFFFAOYSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)c1ncccn1 ZINC000996670761 702971980 /nfs/dbraw/zinc/97/19/80/702971980.db2.gz DNZZPHQKMXZVIW-AWEZNQCLSA-N 2 0 331.464 1.603 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)c(C)o1 ZINC000996670722 702972006 /nfs/dbraw/zinc/97/20/06/702972006.db2.gz CWCYDXVHACVJBE-UHFFFAOYSA-N 2 0 334.464 1.856 20 0 EDADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996675543 702974543 /nfs/dbraw/zinc/97/45/43/702974543.db2.gz ZSBCVHPDPMMGMZ-MRXNPFEDSA-N 2 0 348.495 1.018 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC000996696805 702995553 /nfs/dbraw/zinc/99/55/53/702995553.db2.gz PURTZQHPFYZOBK-SJORKVTESA-N 2 0 339.524 1.968 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000355117869 703004473 /nfs/dbraw/zinc/00/44/73/703004473.db2.gz JUFYFMNALFLZPL-IAGOWNOFSA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1)[NH+](C)C ZINC000996713351 703008260 /nfs/dbraw/zinc/00/82/60/703008260.db2.gz UFFQLGMAPOXZDE-QZTJIDSGSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996721448 703016399 /nfs/dbraw/zinc/01/63/99/703016399.db2.gz AGDQQGUTDCRQNJ-HNNXBMFYSA-N 2 0 348.495 1.493 20 0 EDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684491 706715846 /nfs/dbraw/zinc/71/58/46/706715846.db2.gz RVTJVEMPDIAOHR-JLSDUUJJSA-N 2 0 331.460 1.682 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001032027829 703050079 /nfs/dbraw/zinc/05/00/79/703050079.db2.gz ZHIVNAVAUUUMKO-WMZOPIPTSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ccc(F)cn2)CC1)C12CCC[NH+]1CCC2 ZINC000996770858 703065751 /nfs/dbraw/zinc/06/57/51/703065751.db2.gz PLQDRAMWXMNZDC-UHFFFAOYSA-N 2 0 346.450 1.930 20 0 EDADRP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CN(C)CCO2)c1 ZINC001032331381 703108035 /nfs/dbraw/zinc/10/80/35/703108035.db2.gz BFLRARYPPTWTEB-FHWLQOOXSA-N 2 0 343.471 1.419 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597980 703112835 /nfs/dbraw/zinc/11/28/35/703112835.db2.gz PDXOVXUKUMOXTR-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccns2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598146 703113396 /nfs/dbraw/zinc/11/33/96/703113396.db2.gz RZDAFPOZUUMQKM-CJNGLKHVSA-N 2 0 336.505 1.812 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042415 703199791 /nfs/dbraw/zinc/19/97/91/703199791.db2.gz CPMXABJHFREYSM-OALUTQOASA-N 2 0 349.519 1.868 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000997007832 703265291 /nfs/dbraw/zinc/26/52/91/703265291.db2.gz JSDJSNXWKHCODF-BEFAXECRSA-N 2 0 345.487 1.974 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997009063 703267513 /nfs/dbraw/zinc/26/75/13/703267513.db2.gz HAYIEXYMGOTDHL-HNNXBMFYSA-N 2 0 336.484 1.109 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC1 ZINC000997058426 703303606 /nfs/dbraw/zinc/30/36/06/703303606.db2.gz QLWBFTRLYRGFOR-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]CCn2cncn2)CC1)[NH+]1CCCCCC1 ZINC000997059357 703304946 /nfs/dbraw/zinc/30/49/46/703304946.db2.gz ATMDTASJCDSDAW-MRXNPFEDSA-N 2 0 348.495 1.123 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCF)CC1 ZINC000997085315 703330775 /nfs/dbraw/zinc/33/07/75/703330775.db2.gz NGENEFFUMRGSDL-RHSMWYFYSA-N 2 0 325.472 1.905 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1)[NH+]1CCCCC1 ZINC001032404197 703423709 /nfs/dbraw/zinc/42/37/09/703423709.db2.gz AXXYSLSVYJLVTG-ROUUACIJSA-N 2 0 349.519 1.963 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032407391 703432869 /nfs/dbraw/zinc/43/28/69/703432869.db2.gz CJKAKRHTJKPDEY-FHWLQOOXSA-N 2 0 347.503 1.430 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000997178046 703464601 /nfs/dbraw/zinc/46/46/01/703464601.db2.gz ANEYRVUWYAXIAK-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997180312 703470466 /nfs/dbraw/zinc/47/04/66/703470466.db2.gz OTZOQQJLGPUHAF-AEFFLSMTSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC[NH+](CCO)CC1 ZINC000997218303 703496341 /nfs/dbraw/zinc/49/63/41/703496341.db2.gz XYQCZCZOXYOHFY-CQSZACIVSA-N 2 0 343.431 1.090 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300904 703544399 /nfs/dbraw/zinc/54/43/99/703544399.db2.gz ZBGBDUFPUIMHGY-AWEZNQCLSA-N 2 0 332.448 1.123 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccncc3Cl)CC2)C1 ZINC000997298339 703556073 /nfs/dbraw/zinc/55/60/73/703556073.db2.gz IOZWCFPGMPRDRL-AWEZNQCLSA-N 2 0 336.867 1.767 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(CO)ccc3F)CC2)C1 ZINC000997299561 703557219 /nfs/dbraw/zinc/55/72/19/703557219.db2.gz PMCIREDEXIXLIR-OAHLLOKOSA-N 2 0 349.450 1.350 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997362767 703596615 /nfs/dbraw/zinc/59/66/15/703596615.db2.gz BXGAYYYBVWLKOM-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ocnc2C)CC1 ZINC000997366344 703600125 /nfs/dbraw/zinc/60/01/25/703600125.db2.gz CZJHUYXIZWDLHJ-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997366956 703600980 /nfs/dbraw/zinc/60/09/80/703600980.db2.gz QVYZBJWEADBURI-YJBOKZPZSA-N 2 0 345.491 1.993 20 0 EDADRP Cc1nsc(C)c1CN1CC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001015998289 703756158 /nfs/dbraw/zinc/75/61/58/703756158.db2.gz NTIVJHIJRPUOEW-LSDHHAIUSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997611778 703911984 /nfs/dbraw/zinc/91/19/84/703911984.db2.gz HIGFFZDPXVXGBL-CRAIPNDOSA-N 2 0 345.491 1.768 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997642099 703948269 /nfs/dbraw/zinc/94/82/69/703948269.db2.gz MULILBFUOOMLLO-YJBOKZPZSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nc(CN[C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)c(C)o1 ZINC000995550659 703954249 /nfs/dbraw/zinc/95/42/49/703954249.db2.gz KIAWMBUJOMNQAL-HZPDHXFCSA-N 2 0 334.464 1.712 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995550999 703955662 /nfs/dbraw/zinc/95/56/62/703955662.db2.gz LKPGNJPSVBHJEP-IRXDYDNUSA-N 2 0 347.507 1.885 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004205500 703961108 /nfs/dbraw/zinc/96/11/08/703961108.db2.gz DFKPLBVFCQWBBK-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555526 703975232 /nfs/dbraw/zinc/97/52/32/703975232.db2.gz ZUHVHQKMSOMWRJ-CVEARBPZSA-N 2 0 333.480 1.149 20 0 EDADRP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999294464 706791718 /nfs/dbraw/zinc/79/17/18/706791718.db2.gz UBTMDXPBXSYGIO-FXQLRMTLSA-N 2 0 348.495 1.107 20 0 EDADRP Cc1cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001033094936 704174104 /nfs/dbraw/zinc/17/41/04/704174104.db2.gz LFPDRJOIJMWGIT-DJIMGWMZSA-N 2 0 333.480 1.101 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000922852618 704438849 /nfs/dbraw/zinc/43/88/49/704438849.db2.gz MLUZOBOXIHGFSX-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2COCCN2C2CCCC2)CC1 ZINC000997725497 704621761 /nfs/dbraw/zinc/62/17/61/704621761.db2.gz GANFUPOGDRANMS-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000997777053 704678022 /nfs/dbraw/zinc/67/80/22/704678022.db2.gz SIUZPUACNFXKLM-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997786886 704696096 /nfs/dbraw/zinc/69/60/96/704696096.db2.gz RKHFIVGFWNJONP-DOTOQJQBSA-N 2 0 325.497 1.458 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000997823336 704744965 /nfs/dbraw/zinc/74/49/65/704744965.db2.gz LONOQNLTYKJCGZ-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997832056 704750557 /nfs/dbraw/zinc/75/05/57/704750557.db2.gz YARRFLBLNRVEQW-INIZCTEOSA-N 2 0 335.452 1.046 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000997860681 704767443 /nfs/dbraw/zinc/76/74/43/704767443.db2.gz AVMSCJJTYRSGGV-SFHVURJKSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)co1 ZINC000997888516 704790312 /nfs/dbraw/zinc/79/03/12/704790312.db2.gz NADCRDNDDDZTKK-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP C[C@H]1CN(Cc2nnc(C3CC3)o2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944264 704797031 /nfs/dbraw/zinc/79/70/31/704797031.db2.gz LTQVWIZABQOXFY-ZFWWWQNUSA-N 2 0 347.463 1.369 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000997947722 705068850 /nfs/dbraw/zinc/06/88/50/705068850.db2.gz DRCQKQGQWRFMNT-IRXDYDNUSA-N 2 0 348.495 1.075 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000998004799 705167411 /nfs/dbraw/zinc/16/74/11/705167411.db2.gz PTXCMBPSSWYSMC-SZMVWBNQSA-N 2 0 337.508 1.581 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998065499 705277635 /nfs/dbraw/zinc/27/76/35/705277635.db2.gz WKYKYPIVOZRGKQ-MRXNPFEDSA-N 2 0 330.432 1.643 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076741 705296906 /nfs/dbraw/zinc/29/69/06/705296906.db2.gz CYHUXDWWSXHUOG-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000998078320 705298984 /nfs/dbraw/zinc/29/89/84/705298984.db2.gz LGUANWRWOHLLBM-SUMWQHHRSA-N 2 0 348.491 1.817 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC000998080956 705300263 /nfs/dbraw/zinc/30/02/63/705300263.db2.gz GJPVQOOHGIHKHL-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998082115 705308341 /nfs/dbraw/zinc/30/83/41/705308341.db2.gz NPFYIXHRZRHURE-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998083609 705312383 /nfs/dbraw/zinc/31/23/83/705312383.db2.gz WVADFSRZJIXAJP-INIZCTEOSA-N 2 0 330.476 1.894 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000998085413 705316836 /nfs/dbraw/zinc/31/68/36/705316836.db2.gz FVIGYXIKVQWTJU-HNNXBMFYSA-N 2 0 348.495 1.351 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncc(OC)n2)CC1)[NH+](C)C ZINC000998086007 705318432 /nfs/dbraw/zinc/31/84/32/705318432.db2.gz MGGIBUFRKPQOEP-INIZCTEOSA-N 2 0 349.479 1.154 20 0 EDADRP COc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)C2CC[NH+](C)CC2)c1 ZINC001032602335 705393278 /nfs/dbraw/zinc/39/32/78/705393278.db2.gz ORROBHRRJBWBQP-ROUUACIJSA-N 2 0 343.471 1.822 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000998268556 705644377 /nfs/dbraw/zinc/64/43/77/705644377.db2.gz HJHBVBBHZQEEBC-IEBWSBKVSA-N 2 0 335.492 1.337 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000998269946 705647418 /nfs/dbraw/zinc/64/74/18/705647418.db2.gz RSZRFOZKGIIHBZ-UHFFFAOYSA-N 2 0 346.479 1.106 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998273383 705653843 /nfs/dbraw/zinc/65/38/43/705653843.db2.gz PFFIEZAOCVAUAM-KRWDZBQOSA-N 2 0 346.475 1.370 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000998720620 706147747 /nfs/dbraw/zinc/14/77/47/706147747.db2.gz JPWGTIILJQSOOJ-SJLPKXTDSA-N 2 0 331.460 1.870 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728163 706158015 /nfs/dbraw/zinc/15/80/15/706158015.db2.gz BTRIUDSFLMPMAE-FUHWJXTLSA-N 2 0 349.450 1.493 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762352 706200218 /nfs/dbraw/zinc/20/02/18/706200218.db2.gz BKEODXXGJIVRBR-ABHNRTSZSA-N 2 0 347.507 1.855 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998762857 706201703 /nfs/dbraw/zinc/20/17/03/706201703.db2.gz ITFWZXAEBNZIFW-DQPZFDDXSA-N 2 0 333.480 1.372 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000998781318 706222655 /nfs/dbraw/zinc/22/26/55/706222655.db2.gz VHRRCQNFJQIDMD-GPANFISMSA-N 2 0 341.446 1.953 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC000998792207 706239127 /nfs/dbraw/zinc/23/91/27/706239127.db2.gz VQYRLEPAPRWOOW-MLVVQWTHSA-N 2 0 336.505 1.871 20 0 EDADRP CN(C(=O)[C@H]1CCCc2nccn21)C1CC([NH2+]Cc2cscn2)C1 ZINC000998902043 706338517 /nfs/dbraw/zinc/33/85/17/706338517.db2.gz QZBUQYFCRDJGDW-PESDSKBTSA-N 2 0 345.472 1.996 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000998995731 706412998 /nfs/dbraw/zinc/41/29/98/706412998.db2.gz UFEUPOXILOAPNH-OFLPRAFFSA-N 2 0 331.464 1.348 20 0 EDADRP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999047170 706488290 /nfs/dbraw/zinc/48/82/90/706488290.db2.gz ANHQFUPHFRFIHA-UHFFFAOYSA-N 2 0 346.479 1.005 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999131214 706566247 /nfs/dbraw/zinc/56/62/47/706566247.db2.gz AVWHHXCKDNCXOC-IAGOWNOFSA-N 2 0 333.480 1.337 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)cn1 ZINC000999153844 706583863 /nfs/dbraw/zinc/58/38/63/706583863.db2.gz RRMHUPOPKOLHIK-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999320292 706820129 /nfs/dbraw/zinc/82/01/29/706820129.db2.gz VIXMBGVIAYNDRG-UHFFFAOYSA-N 2 0 345.447 1.468 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]CCc3ccns3)C2)CCC1 ZINC000999353891 706842806 /nfs/dbraw/zinc/84/28/06/706842806.db2.gz OHVPLIKZSDYZIX-CQSZACIVSA-N 2 0 336.505 1.751 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999346831 706858612 /nfs/dbraw/zinc/85/86/12/706858612.db2.gz GHXDWVIUWWVGSU-INIZCTEOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999377561 706871783 /nfs/dbraw/zinc/87/17/83/706871783.db2.gz NMASBRZMZBBBCX-CYBMUJFWSA-N 2 0 337.493 1.411 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999369972 706883866 /nfs/dbraw/zinc/88/38/66/706883866.db2.gz KUGPPFXZTXDRLA-RDJZCZTQSA-N 2 0 331.464 1.206 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999372192 706886626 /nfs/dbraw/zinc/88/66/26/706886626.db2.gz OLHXLXJNPSMYRG-YJBOKZPZSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)on1 ZINC000999398137 706892682 /nfs/dbraw/zinc/89/26/82/706892682.db2.gz COZSQZFCYPUCFH-HOTGVXAUSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999398869 706893331 /nfs/dbraw/zinc/89/33/31/706893331.db2.gz ASZMNZMTXGZBPH-HPUBIQBYSA-N 2 0 333.480 1.026 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999399644 706894303 /nfs/dbraw/zinc/89/43/03/706894303.db2.gz IXCFTNXLTRJMIP-DLBZAZTESA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1)[NH+](C)C ZINC000999418234 706907574 /nfs/dbraw/zinc/90/75/74/706907574.db2.gz BBJMGDNAQQYBFO-JSGCOSHPSA-N 2 0 325.482 1.205 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)[nH]1 ZINC000999406599 706915627 /nfs/dbraw/zinc/91/56/27/706915627.db2.gz OMXLSGZGYXQLQY-NFOMZHRRSA-N 2 0 348.495 1.491 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999409871 706919602 /nfs/dbraw/zinc/91/96/02/706919602.db2.gz UGDADECRWMTMBH-IUDNXUCKSA-N 2 0 331.464 1.206 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999489714 707025811 /nfs/dbraw/zinc/02/58/11/707025811.db2.gz MBHGLUGUORYESM-QZTJIDSGSA-N 2 0 349.519 1.870 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594461 707097451 /nfs/dbraw/zinc/09/74/51/707097451.db2.gz AOSXHHQSXIDMBA-INIZCTEOSA-N 2 0 345.491 1.612 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999687759 707241727 /nfs/dbraw/zinc/24/17/27/707241727.db2.gz JGQQBTIICSYUTN-LMDPOFIKSA-N 2 0 345.487 1.600 20 0 EDADRP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999704827 707294463 /nfs/dbraw/zinc/29/44/63/707294463.db2.gz BHYGDOLPKFRCJJ-UHFFFAOYSA-N 2 0 334.489 1.626 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)CC[N@@H+]1C ZINC000946735533 707300382 /nfs/dbraw/zinc/30/03/82/707300382.db2.gz NTUPGCRFLXOAPY-LUKYLMHMSA-N 2 0 325.472 1.857 20 0 EDADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279606 707347063 /nfs/dbraw/zinc/34/70/63/707347063.db2.gz VQHJGHAGZVPALW-NRGCRIOASA-N 2 0 349.519 1.819 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)cn1 ZINC000999791868 707363107 /nfs/dbraw/zinc/36/31/07/707363107.db2.gz LGFOBWMEXDELIQ-MSOLQXFVSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033296615 707407206 /nfs/dbraw/zinc/40/72/06/707407206.db2.gz WPBSKPTXKMSUAD-HKUYNNGSSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033196659 707411041 /nfs/dbraw/zinc/41/10/41/707411041.db2.gz DNTBFNGBSQAOAO-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC(NCc2nc(C(C)(C)C)no2)C1 ZINC000999833785 707465417 /nfs/dbraw/zinc/46/54/17/707465417.db2.gz CRHHVYGKGILJGI-IYXRBSQSSA-N 2 0 349.479 1.398 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000999875857 707522584 /nfs/dbraw/zinc/52/25/84/707522584.db2.gz BODUXFGYAHHCOF-DQPZFDDXSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033354005 707609549 /nfs/dbraw/zinc/60/95/49/707609549.db2.gz LKPBCWKKBKZKKF-ROUUACIJSA-N 2 0 347.507 1.538 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964241 707630122 /nfs/dbraw/zinc/63/01/22/707630122.db2.gz WWXIGQLPDPMTHX-IRXDYDNUSA-N 2 0 346.479 1.035 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001033397645 707737506 /nfs/dbraw/zinc/73/75/06/707737506.db2.gz ULUWMLKJFACACL-HUUCEWRRSA-N 2 0 345.434 1.285 20 0 EDADRP CC1(C)CO[C@@H](C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032733633 707741462 /nfs/dbraw/zinc/74/14/62/707741462.db2.gz DUGDNEUNHZEWKO-HRCADAONSA-N 2 0 333.476 1.182 20 0 EDADRP O=C(NC1(C2CC[NH+](CCCO)CC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001000151247 707777861 /nfs/dbraw/zinc/77/78/61/707777861.db2.gz SMJXFXDIHVWFDG-KRWDZBQOSA-N 2 0 335.492 1.071 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCc2ccns2)C1 ZINC001033418383 707802267 /nfs/dbraw/zinc/80/22/67/707802267.db2.gz BZMCGTFFMOWILD-HUUCEWRRSA-N 2 0 336.505 1.703 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033420391 707830914 /nfs/dbraw/zinc/83/09/14/707830914.db2.gz OUBORPJTZBTDNE-WMZOPIPTSA-N 2 0 347.507 1.320 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033225022 707849712 /nfs/dbraw/zinc/84/97/12/707849712.db2.gz CBTACCCAGWIRDX-IRXDYDNUSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)ncn1 ZINC001004992689 707873998 /nfs/dbraw/zinc/87/39/98/707873998.db2.gz OEMKLBTYNCNHMD-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033229944 707889098 /nfs/dbraw/zinc/88/90/98/707889098.db2.gz XFKGNRBPZPGVRB-SJORKVTESA-N 2 0 335.492 1.717 20 0 EDADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033490933 707985435 /nfs/dbraw/zinc/98/54/35/707985435.db2.gz YMFPSXHHAGGNTH-QGZVFWFLSA-N 2 0 333.480 1.391 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000921776253 708015096 /nfs/dbraw/zinc/01/50/96/708015096.db2.gz QUEYMQRBCNAZBZ-RHSMWYFYSA-N 2 0 331.464 1.690 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000921776255 708015347 /nfs/dbraw/zinc/01/53/47/708015347.db2.gz QUEYMQRBCNAZBZ-YOEHRIQHSA-N 2 0 331.464 1.690 20 0 EDADRP O=C(NCC1=CC[N@H+](C[C@H]2CCOC2)CC1)[C@H]1CCc2nccn2C1 ZINC001000876605 708075692 /nfs/dbraw/zinc/07/56/92/708075692.db2.gz ISUPOGOODZNSID-SJORKVTESA-N 2 0 344.459 1.230 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032802471 708088223 /nfs/dbraw/zinc/08/82/23/708088223.db2.gz ABXZEXVDIMOUQN-GBESFXJTSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001682297 708179967 /nfs/dbraw/zinc/17/99/67/708179967.db2.gz YMGUHWXCMQHQAI-MRXNPFEDSA-N 2 0 347.503 1.613 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582730 708266227 /nfs/dbraw/zinc/26/62/27/708266227.db2.gz QCUDCUQWEOLJRL-DOTOQJQBSA-N 2 0 333.480 1.103 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571406 708274776 /nfs/dbraw/zinc/27/47/76/708274776.db2.gz NVOGOSSFEHWFQY-MAUKXSAKSA-N 2 0 337.508 1.676 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592859 708292126 /nfs/dbraw/zinc/29/21/26/708292126.db2.gz IJUKPNYJPRTCPU-HNNXBMFYSA-N 2 0 346.475 1.674 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC001001831835 708335952 /nfs/dbraw/zinc/33/59/52/708335952.db2.gz ARELXFLVOLMCRB-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001834039 708360550 /nfs/dbraw/zinc/36/05/50/708360550.db2.gz NUPPJSYNJIKSJY-RDTXWAMCSA-N 2 0 347.507 1.254 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659448 708470981 /nfs/dbraw/zinc/47/09/81/708470981.db2.gz XHIQMVNBAQLNRW-HNNXBMFYSA-N 2 0 336.505 1.623 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC001002005384 708522361 /nfs/dbraw/zinc/52/23/61/708522361.db2.gz QWENMTPZWRZQMD-HNNXBMFYSA-N 2 0 325.497 1.316 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002119650 708632836 /nfs/dbraw/zinc/63/28/36/708632836.db2.gz CMHPDVAZYQFSIC-OAHLLOKOSA-N 2 0 336.505 1.731 20 0 EDADRP CO[C@@H](C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001002125428 708640516 /nfs/dbraw/zinc/64/05/16/708640516.db2.gz KKIWPTUXHWNSFQ-ROUUACIJSA-N 2 0 337.508 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001002125318 708640606 /nfs/dbraw/zinc/64/06/06/708640606.db2.gz IXNATTVMWNCLBB-SFHVURJKSA-N 2 0 337.508 1.583 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001002128136 708644740 /nfs/dbraw/zinc/64/47/40/708644740.db2.gz VXOAUZSWYRSPGL-CABCVRRESA-N 2 0 345.434 1.191 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000921884310 708787245 /nfs/dbraw/zinc/78/72/45/708787245.db2.gz UCCHPTGBACCZGS-QZTJIDSGSA-N 2 0 346.475 1.147 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033826923 708828192 /nfs/dbraw/zinc/82/81/92/708828192.db2.gz XEFFNLALDPWNEF-ZWKOTPCHSA-N 2 0 347.507 1.679 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005395723 708876807 /nfs/dbraw/zinc/87/68/07/708876807.db2.gz CPDKDHBPHBVISG-QFBILLFUSA-N 2 0 349.519 1.678 20 0 EDADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001005426346 708978296 /nfs/dbraw/zinc/97/82/96/708978296.db2.gz SHIRKFOGGZBJDF-ZWKOTPCHSA-N 2 0 335.492 1.739 20 0 EDADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426327 708978390 /nfs/dbraw/zinc/97/83/90/708978390.db2.gz SHIRKFOGGZBJDF-MSOLQXFVSA-N 2 0 335.492 1.739 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357457646 708990930 /nfs/dbraw/zinc/99/09/30/708990930.db2.gz PDAFALJDZWBTGX-RTBURBONSA-N 2 0 345.487 1.734 20 0 EDADRP CCc1onc(C)c1C[N@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037623 709269683 /nfs/dbraw/zinc/26/96/83/709269683.db2.gz CUQFRXGSOKBEFP-CVEARBPZSA-N 2 0 348.491 1.920 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001034037670 709270129 /nfs/dbraw/zinc/27/01/29/709270129.db2.gz DHIBVVWMKGHBMB-HUUCEWRRSA-N 2 0 336.505 1.560 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001034042526 709292597 /nfs/dbraw/zinc/29/25/97/709292597.db2.gz PNXZLJWCVLDLEG-CVEARBPZSA-N 2 0 349.479 1.185 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001034046158 709298826 /nfs/dbraw/zinc/29/88/26/709298826.db2.gz UYQTXNAEEKVMMP-ZWKOTPCHSA-N 2 0 345.487 1.940 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002831523 709442432 /nfs/dbraw/zinc/44/24/32/709442432.db2.gz GVWLQQJDUQEAPT-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875782 709483066 /nfs/dbraw/zinc/48/30/66/709483066.db2.gz QZKAVCAKBHTCON-YHUXVREISA-N 2 0 327.856 1.183 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034209002 709558438 /nfs/dbraw/zinc/55/84/38/709558438.db2.gz WELXNPYIUQOPRY-ZWKOTPCHSA-N 2 0 345.491 1.233 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034256928 709640923 /nfs/dbraw/zinc/64/09/23/709640923.db2.gz FEASXNDGXGRHHU-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002994405 709742285 /nfs/dbraw/zinc/74/22/85/709742285.db2.gz HGTQZOSGJQMCKJ-HZPDHXFCSA-N 2 0 325.497 1.580 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1)OC ZINC001002995606 709743196 /nfs/dbraw/zinc/74/31/96/709743196.db2.gz POCPSSVUGMINMC-SJLPKXTDSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC1([NH+](C)C)CCC1)c1cccnc1 ZINC000922118305 709756805 /nfs/dbraw/zinc/75/68/05/709756805.db2.gz UNKAYFCXBWJRKD-MRXNPFEDSA-N 2 0 333.480 1.858 20 0 EDADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321992 709773418 /nfs/dbraw/zinc/77/34/18/709773418.db2.gz YEZDNRDKJLBAOK-NNVNDSJASA-N 2 0 347.503 1.787 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCn2cncn2)C1)[NH+]1CCCC1 ZINC001034339564 709801181 /nfs/dbraw/zinc/80/11/81/709801181.db2.gz JAVZMXNWAQLAHN-MRXNPFEDSA-N 2 0 348.495 1.123 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034401418 709946615 /nfs/dbraw/zinc/94/66/15/709946615.db2.gz JBDIDTZQKXBGQW-SJLPKXTDSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001003230239 710150920 /nfs/dbraw/zinc/15/09/20/710150920.db2.gz MJJZOALCDWFHIU-AEFFLSMTSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncsc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526336 710178567 /nfs/dbraw/zinc/17/85/67/710178567.db2.gz XGPJAODCLQAYPQ-CABCVRRESA-N 2 0 336.505 1.874 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034608026 710267652 /nfs/dbraw/zinc/26/76/52/710267652.db2.gz XIQMSBYACVLQDY-BRWVUGGUSA-N 2 0 333.480 1.074 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC001034606736 710269914 /nfs/dbraw/zinc/26/99/14/710269914.db2.gz BYPRMNHENUFGMG-BZUAXINKSA-N 2 0 331.464 1.396 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375225 710293513 /nfs/dbraw/zinc/29/35/13/710293513.db2.gz KKXIHKFSZCDNFW-VQIMIIECSA-N 2 0 349.519 1.868 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001034649386 710325869 /nfs/dbraw/zinc/32/58/69/710325869.db2.gz IGVPXPDRWIYSJI-LUKYLMHMSA-N 2 0 347.507 1.667 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034663050 710332481 /nfs/dbraw/zinc/33/24/81/710332481.db2.gz OZDKDEJZFLTIGF-NBOOPKSLSA-N 2 0 337.508 1.791 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)[NH+]1CCCC1 ZINC001003424148 710339342 /nfs/dbraw/zinc/33/93/42/710339342.db2.gz QKFRJCIZCSXPIB-JXFKEZNVSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003628194 710458352 /nfs/dbraw/zinc/45/83/52/710458352.db2.gz NXDHUSBLNKJDAF-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032843749 710492639 /nfs/dbraw/zinc/49/26/39/710492639.db2.gz RMHAXNUOVVPKJC-CEXWTWQISA-N 2 0 345.487 1.785 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[C@H]([NH2+][C@H](C)C(N)=O)CC2)ccc2c[nH+]cn21 ZINC001034680086 710678450 /nfs/dbraw/zinc/67/84/50/710678450.db2.gz NEBSKAAUOXICQZ-MRVWCRGKSA-N 2 0 343.431 1.147 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC001032944010 710918106 /nfs/dbraw/zinc/91/81/06/710918106.db2.gz HPIICEQKVONBJA-GJZGRUSLSA-N 2 0 336.867 1.862 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001034737876 710951675 /nfs/dbraw/zinc/95/16/75/710951675.db2.gz OBJXKVXBGZWGDG-MGHWNKPDSA-N 2 0 345.491 1.500 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032958517 710951881 /nfs/dbraw/zinc/95/18/81/710951881.db2.gz BIFNNWQNOCMYAO-SJORKVTESA-N 2 0 333.480 1.127 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032967402 711027323 /nfs/dbraw/zinc/02/73/23/711027323.db2.gz IMCOQFYZSCJDQP-FUHWJXTLSA-N 2 0 331.460 1.822 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775676 711049317 /nfs/dbraw/zinc/04/93/17/711049317.db2.gz FXUAEMCOYPMGLS-DTZQCDIJSA-N 2 0 349.479 1.798 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)co1 ZINC001034777238 711055982 /nfs/dbraw/zinc/05/59/82/711055982.db2.gz GOCUGECKLUCKDD-SHTZXODSSA-N 2 0 332.448 1.596 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034794453 711111087 /nfs/dbraw/zinc/11/10/87/711111087.db2.gz INJAAEUANBBQRZ-WKILWMFISA-N 2 0 346.475 1.703 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034795485 711113729 /nfs/dbraw/zinc/11/37/29/711113729.db2.gz JNSLQTOXCLJBCH-BZUAXINKSA-N 2 0 348.495 1.207 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001034792137 711118407 /nfs/dbraw/zinc/11/84/07/711118407.db2.gz FXTFXLARZSZTCX-KKUMJFAQSA-N 2 0 336.505 1.920 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC001003984521 711186378 /nfs/dbraw/zinc/18/63/78/711186378.db2.gz FOJJEVHOPMOSNZ-HZPDHXFCSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1)C12CC[NH+](CC1)C2 ZINC001003984475 711186507 /nfs/dbraw/zinc/18/65/07/711186507.db2.gz DUJSDCWOQWSZRL-AWEZNQCLSA-N 2 0 343.418 1.087 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1cncs1 ZINC001034942295 711395001 /nfs/dbraw/zinc/39/50/01/711395001.db2.gz TVOBDDSVLKKJKG-ZBFHGGJFSA-N 2 0 334.489 1.566 20 0 EDADRP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)o1 ZINC001034960439 711427281 /nfs/dbraw/zinc/42/72/81/711427281.db2.gz KJRQNJNPNUDUHB-CRAIPNDOSA-N 2 0 348.491 1.966 20 0 EDADRP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034939446 711441780 /nfs/dbraw/zinc/44/17/80/711441780.db2.gz AOAUQXLYWRPKSK-DJIMGWMZSA-N 2 0 346.475 1.511 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1Cl)C2 ZINC000922391429 711456083 /nfs/dbraw/zinc/45/60/83/711456083.db2.gz WHNNPUBKJUSFKH-KQTLUZQSSA-N 2 0 326.872 1.643 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC(CC(N)=O)C2)CC1 ZINC000922514193 711643758 /nfs/dbraw/zinc/64/37/58/711643758.db2.gz WBRIGJVZABXUOF-UHFFFAOYSA-N 2 0 344.503 1.962 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623884 711925333 /nfs/dbraw/zinc/92/53/33/711925333.db2.gz RWWALISPCDYLOW-GDAAHCPNSA-N 2 0 349.519 1.534 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001004548680 711959573 /nfs/dbraw/zinc/95/95/73/711959573.db2.gz UARAMHPNDKBGOC-AEFFLSMTSA-N 2 0 337.508 1.678 20 0 EDADRP O=C(N1CCC([C@@H]2CCC[N@H+]2CCO)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001004598749 712042804 /nfs/dbraw/zinc/04/28/04/712042804.db2.gz FOOODSKKMPVBHN-HKUYNNGSSA-N 2 0 335.492 1.168 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004619862 712081053 /nfs/dbraw/zinc/08/10/53/712081053.db2.gz MTSKFMOPSRWVIQ-QZTJIDSGSA-N 2 0 337.508 1.556 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[NH+]21)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946642959 712130065 /nfs/dbraw/zinc/13/00/65/712130065.db2.gz XKOJHGYSGDSEFV-MHORFTMASA-N 2 0 335.492 1.166 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000370536398 712330862 /nfs/dbraw/zinc/33/08/62/712330862.db2.gz SFJOAZQTHWQKFA-ROUUACIJSA-N 2 0 337.508 1.581 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457809605 282091232 /nfs/dbraw/zinc/09/12/32/282091232.db2.gz NJLDSDXRRSNEOL-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000178934243 282128998 /nfs/dbraw/zinc/12/89/98/282128998.db2.gz TWVHRHSIWFWSGF-YOEHRIQHSA-N 2 0 338.452 1.028 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333232558 539626152 /nfs/dbraw/zinc/62/61/52/539626152.db2.gz CIFVYIRIIKTAHP-LJIGWXMPSA-N 2 0 333.480 1.307 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000349826606 539674700 /nfs/dbraw/zinc/67/47/00/539674700.db2.gz DWKSVUFAPAASEE-CYBMUJFWSA-N 2 0 333.402 1.561 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339274845 539704986 /nfs/dbraw/zinc/70/49/86/539704986.db2.gz JYNVFTKFWAGDKM-ZWKOTPCHSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@@H](C(=O)Nc1ccccc1CN(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000150944216 539726309 /nfs/dbraw/zinc/72/63/09/539726309.db2.gz SVNAZPLQQKEFEI-KBPBESRZSA-N 2 0 334.464 1.484 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000364175010 295802420 /nfs/dbraw/zinc/80/24/20/295802420.db2.gz YWHCLPCULAJRPA-JKIFEVAISA-N 2 0 349.425 1.916 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000342991315 539772365 /nfs/dbraw/zinc/77/23/65/539772365.db2.gz QZAOWBULPRWSQA-OAHLLOKOSA-N 2 0 348.491 1.211 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000366327729 282697700 /nfs/dbraw/zinc/69/77/00/282697700.db2.gz SVVOWDUVCRBFJA-ZWKOTPCHSA-N 2 0 336.524 1.426 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353356154 539932900 /nfs/dbraw/zinc/93/29/00/539932900.db2.gz RJEZUPRTHSJYHO-CYBMUJFWSA-N 2 0 348.413 1.970 20 0 EDADRP Cc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1 ZINC000155989558 539934890 /nfs/dbraw/zinc/93/48/90/539934890.db2.gz XQFGKIOXGBFYBY-UHFFFAOYSA-N 2 0 326.444 1.971 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000355932014 539959886 /nfs/dbraw/zinc/95/98/86/539959886.db2.gz AFLIBVPHEHBOKH-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)C(C)(C)CN=c1cc(NCC(C)(C)[NH+](C)C)n2[nH]cnc2n1 ZINC000359369871 539991985 /nfs/dbraw/zinc/99/19/85/539991985.db2.gz LYFVTXNKVQGCGV-UHFFFAOYSA-N 2 0 348.499 1.050 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2C1 ZINC000562881213 306311821 /nfs/dbraw/zinc/31/18/21/306311821.db2.gz HCNZZVZUGBYCQE-GOSISDBHSA-N 2 0 331.460 1.526 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000158642925 539998965 /nfs/dbraw/zinc/99/89/65/539998965.db2.gz ZKTDKEIMYQFJHD-UHFFFAOYSA-N 2 0 331.460 1.859 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000362174211 540004958 /nfs/dbraw/zinc/00/49/58/540004958.db2.gz VFLSAQYXGYYZOA-BDXSIMOUSA-N 2 0 327.513 1.120 20 0 EDADRP COc1cc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000563001236 306315387 /nfs/dbraw/zinc/31/53/87/306315387.db2.gz RFXMWEPAJZFTBQ-OAHLLOKOSA-N 2 0 341.883 1.089 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)C(C)(C)C[NH+](C)C ZINC000563452423 306334203 /nfs/dbraw/zinc/33/42/03/306334203.db2.gz NGOUTTBVPAHPHJ-CYBMUJFWSA-N 2 0 346.475 1.363 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000069110752 138197744 /nfs/dbraw/zinc/19/77/44/138197744.db2.gz DBLSMONYLGSWRH-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)C1 ZINC000563620858 306342502 /nfs/dbraw/zinc/34/25/02/306342502.db2.gz PFPAGKKLXWAQKW-HOTGVXAUSA-N 2 0 327.513 1.970 20 0 EDADRP CCN1CCN(C(=O)CN2CCc3cc(OC)c(OC)cc3C2)CC1 ZINC000133069722 138388042 /nfs/dbraw/zinc/38/80/42/138388042.db2.gz UMTHGHBAHSARBG-UHFFFAOYSA-N 2 0 347.459 1.226 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000563640674 306343507 /nfs/dbraw/zinc/34/35/07/306343507.db2.gz PQMVKLNQEBDSAX-OAGGEKHMSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1ccc2cccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c2n1 ZINC000563672658 306344695 /nfs/dbraw/zinc/34/46/95/306344695.db2.gz HFKHAHRJVFKVQN-UHFFFAOYSA-N 2 0 336.461 1.232 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H](O)Cc1ccccc1 ZINC000344134932 283260111 /nfs/dbraw/zinc/26/01/11/283260111.db2.gz RKIWDUOYGFYREL-FQEVSTJZSA-N 2 0 333.520 1.940 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174185406 138680544 /nfs/dbraw/zinc/68/05/44/138680544.db2.gz ANNHHKBGKDXDAD-QGZVFWFLSA-N 2 0 334.508 1.988 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000180224778 138757722 /nfs/dbraw/zinc/75/77/22/138757722.db2.gz IQHGURSIZUACCZ-CQSZACIVSA-N 2 0 345.447 1.431 20 0 EDADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560882 306360795 /nfs/dbraw/zinc/36/07/95/306360795.db2.gz HEHRWLGACUTJKD-LSDHHAIUSA-N 2 0 332.366 1.656 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564722359 306363680 /nfs/dbraw/zinc/36/36/80/306363680.db2.gz KWTPISDPNJTWAE-OTWHNJEPSA-N 2 0 341.540 1.558 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000129461080 223058664 /nfs/dbraw/zinc/05/86/64/223058664.db2.gz JRKVIZBQXWDQIK-QGZVFWFLSA-N 2 0 348.491 1.720 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424013699 283604627 /nfs/dbraw/zinc/60/46/27/283604627.db2.gz RTRAQJRQGAEBNP-IPMKNSEASA-N 2 0 339.414 1.793 20 0 EDADRP CN(C)c1ncc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000414356680 304111175 /nfs/dbraw/zinc/11/11/75/304111175.db2.gz GCGYLIUOSRLCAX-LJQANCHMSA-N 2 0 343.475 1.213 20 0 EDADRP C[C@@](O)(C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000566063515 306397268 /nfs/dbraw/zinc/39/72/68/306397268.db2.gz ZBTMSIAVVFTYTP-OAHLLOKOSA-N 2 0 346.397 1.497 20 0 EDADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000414698236 304129187 /nfs/dbraw/zinc/12/91/87/304129187.db2.gz ITQOYVORLYPDIY-IEBWSBKVSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)Cc3ccccc3F)CC2)CC[NH2+]1 ZINC000414700653 304129293 /nfs/dbraw/zinc/12/92/93/304129293.db2.gz ZOSJAWWGJLVFNC-CVEARBPZSA-N 2 0 333.451 1.901 20 0 EDADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](C)CO1 ZINC000414716578 304132218 /nfs/dbraw/zinc/13/22/18/304132218.db2.gz XAHCCZYPHDEESH-LMMKCTJWSA-N 2 0 345.487 1.954 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@H](C[NH2+]C)C2)CC1 ZINC000414739479 304135157 /nfs/dbraw/zinc/13/51/57/304135157.db2.gz QBGVJDAUMWXNHE-MRXNPFEDSA-N 2 0 345.491 1.902 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]([NH3+])C2)CC1 ZINC000414740597 304135709 /nfs/dbraw/zinc/13/57/09/304135709.db2.gz RCKNNJXFDUYODV-HNNXBMFYSA-N 2 0 331.464 1.784 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000414792254 304141376 /nfs/dbraw/zinc/14/13/76/304141376.db2.gz RJAOMYYBWXMKTC-CQSZACIVSA-N 2 0 344.459 1.465 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415028727 304152048 /nfs/dbraw/zinc/15/20/48/304152048.db2.gz DFAJCGFMBVXCPR-UHFFFAOYSA-N 2 0 344.459 1.119 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000415035697 304153001 /nfs/dbraw/zinc/15/30/01/304153001.db2.gz FDOJULRCHMVXGF-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000415035536 304153005 /nfs/dbraw/zinc/15/30/05/304153005.db2.gz KTNUZZIBDUTDQI-WBVHZDCISA-N 2 0 331.460 1.905 20 0 EDADRP c1cc(N2CCCC2)ncc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415061859 304155436 /nfs/dbraw/zinc/15/54/36/304155436.db2.gz YWWGQHMUZBGEGK-UHFFFAOYSA-N 2 0 343.519 1.988 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058756 304155546 /nfs/dbraw/zinc/15/55/46/304155546.db2.gz WQPKYQGTYVRXTB-FZKQIMNGSA-N 2 0 336.480 1.868 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000415092772 304158934 /nfs/dbraw/zinc/15/89/34/304158934.db2.gz BGZVLTQIJYYYTH-KGLIPLIRSA-N 2 0 349.479 1.965 20 0 EDADRP COc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1OC ZINC000415136286 304162950 /nfs/dbraw/zinc/16/29/50/304162950.db2.gz RIPBISNYJCFBSK-CVEARBPZSA-N 2 0 332.444 1.904 20 0 EDADRP CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000415143312 304164060 /nfs/dbraw/zinc/16/40/60/304164060.db2.gz BTGMHQWKIOZASN-UONOGXRCSA-N 2 0 344.459 1.212 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236660168 139027861 /nfs/dbraw/zinc/02/78/61/139027861.db2.gz XOUKFWJDAKPFGX-SFHVURJKSA-N 2 0 332.492 1.537 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+]1CCOCC1 ZINC000236689458 139028868 /nfs/dbraw/zinc/02/88/68/139028868.db2.gz NBXSTJGWRYOJLS-CVEARBPZSA-N 2 0 343.537 1.335 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)C[NH2+]C ZINC000237051898 139039339 /nfs/dbraw/zinc/03/93/39/139039339.db2.gz NIRHWQXSCPLTQY-CQSZACIVSA-N 2 0 334.464 1.631 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C1CC[NH2+]CC1 ZINC000237152749 139042373 /nfs/dbraw/zinc/04/23/73/139042373.db2.gz DIIWLIKOIVLQNW-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000237200331 139043899 /nfs/dbraw/zinc/04/38/99/139043899.db2.gz LERITOPLPJLHLP-MRXNPFEDSA-N 2 0 333.476 1.771 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000237304063 139047203 /nfs/dbraw/zinc/04/72/03/139047203.db2.gz YCQMIRNZHFCAJQ-MRXNPFEDSA-N 2 0 347.459 1.394 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237347940 139048702 /nfs/dbraw/zinc/04/87/02/139048702.db2.gz XJTSUSRGKBBWIO-CJNGLKHVSA-N 2 0 334.439 1.507 20 0 EDADRP Cc1c(C(=O)NC[C@H](C)C[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237327540 139047978 /nfs/dbraw/zinc/04/79/78/139047978.db2.gz XFARZCDCQVMRIR-AWEZNQCLSA-N 2 0 348.495 1.363 20 0 EDADRP COCC[NH2+]CCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000237334857 139048303 /nfs/dbraw/zinc/04/83/03/139048303.db2.gz APNZSNVGSQOOMR-UHFFFAOYSA-N 2 0 348.491 1.183 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)c1 ZINC000237373695 139049497 /nfs/dbraw/zinc/04/94/97/139049497.db2.gz MOWVLOXBSOUIMN-UHFFFAOYSA-N 2 0 326.400 1.511 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030646 284350050 /nfs/dbraw/zinc/35/00/50/284350050.db2.gz BSBVJNJTUIKIRI-CAOSSQGBSA-N 2 0 343.512 1.923 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415180553 304172009 /nfs/dbraw/zinc/17/20/09/304172009.db2.gz FORUXPYLDDXROP-HNNXBMFYSA-N 2 0 346.475 1.979 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCSc3ccc(F)cc32)CC1 ZINC000567470398 306453140 /nfs/dbraw/zinc/45/31/40/306453140.db2.gz VZYNPLPQMPNNRO-GDBMZVCRSA-N 2 0 339.480 1.561 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000415193632 304173594 /nfs/dbraw/zinc/17/35/94/304173594.db2.gz MJQQEOFCAMMIBB-DYVFJYSZSA-N 2 0 344.459 1.778 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000567572679 306455516 /nfs/dbraw/zinc/45/55/16/306455516.db2.gz TUJGHAPCXLYGRU-UHFFFAOYSA-N 2 0 328.501 1.563 20 0 EDADRP [NH3+][C@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000237966983 139065208 /nfs/dbraw/zinc/06/52/08/139065208.db2.gz PAFSTPMCXFLLBX-GOSISDBHSA-N 2 0 330.476 1.442 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000238010536 139066387 /nfs/dbraw/zinc/06/63/87/139066387.db2.gz UVIUJBXCLVXZEN-GOSISDBHSA-N 2 0 331.460 1.300 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111866208 220212879 /nfs/dbraw/zinc/21/28/79/220212879.db2.gz PYKSDXKOVNOHIL-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000415263843 304181451 /nfs/dbraw/zinc/18/14/51/304181451.db2.gz BLSQBICJPWKDHN-MRXNPFEDSA-N 2 0 344.459 1.213 20 0 EDADRP Cn1cc(N2CC[C@H](N3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)C2=O)cn1 ZINC000246433600 139108099 /nfs/dbraw/zinc/10/80/99/139108099.db2.gz CTEGMQCGHGGNCW-JLSDUUJJSA-N 2 0 343.475 1.474 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1)C1CC1 ZINC000415316746 304193234 /nfs/dbraw/zinc/19/32/34/304193234.db2.gz OTKRUBBEYCXKIA-INIZCTEOSA-N 2 0 344.459 1.130 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1)C1CC1 ZINC000415329224 304195952 /nfs/dbraw/zinc/19/59/52/304195952.db2.gz YAMHJCJHHYTIKC-UHFFFAOYSA-N 2 0 344.459 1.084 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000415348940 304200410 /nfs/dbraw/zinc/20/04/10/304200410.db2.gz BWTNPWYAYJXXHH-INIZCTEOSA-N 2 0 344.459 1.417 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3CCC[C@H]32)C1 ZINC000247694592 139154052 /nfs/dbraw/zinc/15/40/52/139154052.db2.gz WMRHDELWPDOYEU-RCCFBDPRSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]([NH2+]CCCN1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cnnn2)cc1 ZINC000248041303 139157565 /nfs/dbraw/zinc/15/75/65/139157565.db2.gz SYWMAYNBZURBOS-OWCLPIDISA-N 2 0 344.463 1.812 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000568754679 306488542 /nfs/dbraw/zinc/48/85/42/306488542.db2.gz OKNABEFFESVYAM-UHFFFAOYSA-N 2 0 338.492 1.935 20 0 EDADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCN1C(=O)CNC1=O ZINC000092821266 218171952 /nfs/dbraw/zinc/17/19/52/218171952.db2.gz CDEJHUVGTLKNCD-UHFFFAOYSA-N 2 0 345.447 1.172 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000340944154 284759208 /nfs/dbraw/zinc/75/92/08/284759208.db2.gz ZTRJIYGIEAIZGG-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC1CC[NH+](C3CC3)CC1)CC[NH2+]CC2 ZINC000424284708 296294615 /nfs/dbraw/zinc/29/46/15/296294615.db2.gz DRTUIMUTKFAXRE-OAHLLOKOSA-N 3 0 334.508 1.193 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000261601451 139209790 /nfs/dbraw/zinc/20/97/90/139209790.db2.gz BKUVSTIIXSEGKQ-OLMMMNRUSA-N 2 0 335.492 1.606 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000261603947 139209924 /nfs/dbraw/zinc/20/99/24/139209924.db2.gz CEIFAGOHSQKSOJ-CRAIPNDOSA-N 2 0 331.460 1.523 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000261634266 139213058 /nfs/dbraw/zinc/21/30/58/139213058.db2.gz DJAGGUQNKRJCDC-IAGOWNOFSA-N 2 0 337.489 1.925 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@H](c1ccccc1)N1CCSCC1 ZINC000261675552 139216454 /nfs/dbraw/zinc/21/64/54/139216454.db2.gz HKJSQTPEOYWKEL-INMHGKMJSA-N 2 0 333.501 1.972 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cccc3ccccc32)CC1 ZINC000569199120 306499086 /nfs/dbraw/zinc/49/90/86/306499086.db2.gz VLHQWOUBDCDWKA-LJQANCHMSA-N 2 0 327.472 1.580 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000261966110 139240529 /nfs/dbraw/zinc/24/05/29/139240529.db2.gz QBBOVHFGAAASAQ-QRVBRYPASA-N 2 0 338.540 1.007 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2cncn2)cc1 ZINC000261968627 139240699 /nfs/dbraw/zinc/24/06/99/139240699.db2.gz IAJOULZCSYESNE-QGZVFWFLSA-N 2 0 342.447 1.087 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCOc2cccc(C)c2)CC1 ZINC000262023859 139244709 /nfs/dbraw/zinc/24/47/09/139244709.db2.gz YUIGNICHSMIZCK-UHFFFAOYSA-N 2 0 333.476 1.812 20 0 EDADRP O=C(CC[NH+]1CCC(OCCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262066247 139247952 /nfs/dbraw/zinc/24/79/52/139247952.db2.gz JNGMASDFKMAKTC-UHFFFAOYSA-N 2 0 345.487 1.532 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414878474 250875315 /nfs/dbraw/zinc/87/53/15/250875315.db2.gz NRJMZWYAWOTOJO-HUUCEWRRSA-N 2 0 346.475 1.881 20 0 EDADRP CN1c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2CCC1=O ZINC000262091007 139250285 /nfs/dbraw/zinc/25/02/85/139250285.db2.gz GZYDPMMOZOFIFH-QGZVFWFLSA-N 2 0 328.460 1.075 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000262136234 139253922 /nfs/dbraw/zinc/25/39/22/139253922.db2.gz YTPNIJHOKJYGDI-KRWDZBQOSA-N 2 0 345.491 1.501 20 0 EDADRP CCO[C@@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(CC)CC ZINC000262154358 139255649 /nfs/dbraw/zinc/25/56/49/139255649.db2.gz PKSNNWZHLJMOQA-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415776830 251025842 /nfs/dbraw/zinc/02/58/42/251025842.db2.gz BYBTYBIVDLVVKO-STQMWFEESA-N 2 0 332.448 1.114 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NC[C@@H](c1c(F)cccc1Cl)N1CCCC1 ZINC000262296707 139267698 /nfs/dbraw/zinc/26/76/98/139267698.db2.gz NLLXZLBWQYLCCG-KGLIPLIRSA-N 2 0 343.830 1.706 20 0 EDADRP CC[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417008348 251128675 /nfs/dbraw/zinc/12/86/75/251128675.db2.gz IMINDCBLCQHOOR-ROUUACIJSA-N 2 0 346.475 1.192 20 0 EDADRP C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000417012557 251131022 /nfs/dbraw/zinc/13/10/22/251131022.db2.gz XDSSTHBYZSHOSR-YJBOKZPZSA-N 2 0 330.476 1.671 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000417020537 251136516 /nfs/dbraw/zinc/13/65/16/251136516.db2.gz MIDUHDZQNIGBFF-FUHWJXTLSA-N 2 0 345.491 1.187 20 0 EDADRP CC(C)(CNC(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417087923 251141689 /nfs/dbraw/zinc/14/16/89/251141689.db2.gz IRHOMZAYRPSQRL-UHFFFAOYSA-N 2 0 330.476 1.828 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000417025098 251138208 /nfs/dbraw/zinc/13/82/08/251138208.db2.gz XNVNVJCDIWQXTD-GDBMZVCRSA-N 2 0 340.493 1.419 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000417386057 251161635 /nfs/dbraw/zinc/16/16/35/251161635.db2.gz DTBFVUGXTAZEIF-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000415575860 304230032 /nfs/dbraw/zinc/23/00/32/304230032.db2.gz VGYRZOIJTQCPLG-UHFFFAOYSA-N 2 0 346.475 1.235 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000262357632 139272919 /nfs/dbraw/zinc/27/29/19/139272919.db2.gz IDABESTZWXTBAK-JLSDUUJJSA-N 2 0 331.460 1.258 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000415577257 304230138 /nfs/dbraw/zinc/23/01/38/304230138.db2.gz YXYIROYKAIBBTF-LSDHHAIUSA-N 2 0 346.475 1.676 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000262424237 139278243 /nfs/dbraw/zinc/27/82/43/139278243.db2.gz SBKMMATZJAGVMR-NVXWUHKLSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262456761 139280276 /nfs/dbraw/zinc/28/02/76/139280276.db2.gz IESUYVWFLIYKIN-MPGHIAIKSA-N 2 0 333.476 1.532 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000417753050 251255985 /nfs/dbraw/zinc/25/59/85/251255985.db2.gz NVIGWSJWKRWQIB-JKSUJKDBSA-N 2 0 347.507 1.389 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000417806703 251278697 /nfs/dbraw/zinc/27/86/97/251278697.db2.gz JEYOKRAVZAFXND-GOEBONIOSA-N 2 0 326.485 1.316 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813892 251280741 /nfs/dbraw/zinc/28/07/41/251280741.db2.gz AMTBHWDDTPBSHW-OQIJWPOYSA-N 2 0 342.487 1.758 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417812634 251281492 /nfs/dbraw/zinc/28/14/92/251281492.db2.gz PYUWACFBFMNMKY-GOSISDBHSA-N 2 0 348.491 1.875 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000418109618 251324266 /nfs/dbraw/zinc/32/42/66/251324266.db2.gz VAKRDGQTKRJWBR-CABCVRRESA-N 2 0 340.418 1.790 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417845555 251296298 /nfs/dbraw/zinc/29/62/98/251296298.db2.gz SBDAQRJTYJBQEO-ARFHVFGLSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262528170 139284372 /nfs/dbraw/zinc/28/43/72/139284372.db2.gz MFEQFHUAMJKXMU-STQMWFEESA-N 2 0 332.448 1.306 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000418320483 251359603 /nfs/dbraw/zinc/35/96/03/251359603.db2.gz QJQJXNZOHPUAPG-JLSDUUJJSA-N 2 0 346.475 1.440 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CCC1 ZINC000418531876 251377097 /nfs/dbraw/zinc/37/70/97/251377097.db2.gz XWFNBINBQWNYGT-SWLSCSKDSA-N 2 0 338.402 1.591 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418764740 251421708 /nfs/dbraw/zinc/42/17/08/251421708.db2.gz JMJBTVBSMDBLJD-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000569558474 306510429 /nfs/dbraw/zinc/51/04/29/306510429.db2.gz NQYCEXZBDASDBN-IYBDPMFKSA-N 2 0 336.480 1.167 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415588478 304233681 /nfs/dbraw/zinc/23/36/81/304233681.db2.gz ZTJDKTOIQXTQIJ-CQSZACIVSA-N 2 0 332.448 1.117 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000262889540 139310682 /nfs/dbraw/zinc/31/06/82/139310682.db2.gz OLSCHVJJASQJHH-RVKKMQEKSA-N 2 0 349.475 1.276 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cc2)CC1 ZINC000422875338 252008245 /nfs/dbraw/zinc/00/82/45/252008245.db2.gz DULRFNKQXWXMGR-RBUKOAKNSA-N 2 0 344.503 1.681 20 0 EDADRP COc1ccc([C@H](C[NH2+]C2CC[NH2+]CC2)N2CCOCC2)cc1OC ZINC000422766149 251970391 /nfs/dbraw/zinc/97/03/91/251970391.db2.gz LLTRBTBUBFEEJO-KRWDZBQOSA-N 2 0 349.475 1.419 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCn3cc(C)nc32)CC[NH2+]CC1 ZINC000423005852 252024326 /nfs/dbraw/zinc/02/43/26/252024326.db2.gz NFQXOJLIRCHYSU-CVEARBPZSA-N 2 0 348.491 1.980 20 0 EDADRP CCN(C(=O)C(=O)N(C)CC[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000423178154 252041879 /nfs/dbraw/zinc/04/18/79/252041879.db2.gz KJWILMDWWPJIEG-WBVHZDCISA-N 2 0 346.475 1.088 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178954 252043943 /nfs/dbraw/zinc/04/39/43/252043943.db2.gz LLQPGWLIQREGJY-CQSZACIVSA-N 2 0 334.464 1.600 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)C1 ZINC000423357749 252052716 /nfs/dbraw/zinc/05/27/16/252052716.db2.gz ANZCJFMTBCJPHA-NVXWUHKLSA-N 2 0 344.459 1.450 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422909489 252019679 /nfs/dbraw/zinc/01/96/79/252019679.db2.gz GCYFSWPPWKXAMQ-MSOLQXFVSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422910310 252020881 /nfs/dbraw/zinc/02/08/81/252020881.db2.gz QHOHELQYZNZLPS-UHFFFAOYSA-N 3 0 332.492 1.585 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423855283 252092175 /nfs/dbraw/zinc/09/21/75/252092175.db2.gz VXMCJIKNKOIJMR-GGPKGHCWSA-N 2 0 343.471 1.393 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000423897683 252103126 /nfs/dbraw/zinc/10/31/26/252103126.db2.gz OVYAYTGPPBMVKU-QAPCUYQASA-N 2 0 331.460 1.948 20 0 EDADRP C[C@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@@H]([NH3+])c1ccccc1 ZINC000424035183 252122104 /nfs/dbraw/zinc/12/21/04/252122104.db2.gz DVGRDGWKAKCMED-XOYOTBSWSA-N 2 0 343.471 1.550 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423802068 252080914 /nfs/dbraw/zinc/08/09/14/252080914.db2.gz UUUPAYOSMDYWCS-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1cc(C(=O)Nc2ccc(OCC[NH3+])cc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424139749 252139266 /nfs/dbraw/zinc/13/92/66/252139266.db2.gz DXOPJEMEKZCZFA-CYBMUJFWSA-N 2 0 343.431 1.477 20 0 EDADRP Cn1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424146856 252143122 /nfs/dbraw/zinc/14/31/22/252143122.db2.gz QGJYPYUPTHZYMK-QLFBSQMISA-N 2 0 333.480 1.490 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424177651 252154781 /nfs/dbraw/zinc/15/47/81/252154781.db2.gz QCVGTYGRHPHDAJ-HNNXBMFYSA-N 2 0 334.468 1.184 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cn[nH]c3[C@@H]3CCC[NH2+]C3)sc2C1 ZINC000424179376 252155286 /nfs/dbraw/zinc/15/52/86/252155286.db2.gz SVKXPJTYAJVSLG-ZJUUUORDSA-N 2 0 346.460 1.402 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424219142 252167210 /nfs/dbraw/zinc/16/72/10/252167210.db2.gz ZPJDWDFDONLTIT-OKZBNKHCSA-N 2 0 329.444 1.098 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000424134831 252135940 /nfs/dbraw/zinc/13/59/40/252135940.db2.gz NYOAUEAHTOKLEA-KFWWJZLASA-N 2 0 334.468 1.053 20 0 EDADRP Cc1ccc2nc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)cc(=O)n2c1 ZINC000424298152 252191592 /nfs/dbraw/zinc/19/15/92/252191592.db2.gz TZJIZYHXTOHYKU-OAHLLOKOSA-N 2 0 326.444 1.967 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424383778 252204410 /nfs/dbraw/zinc/20/44/10/252204410.db2.gz UMLVENZYRGLIHR-HNNXBMFYSA-N 2 0 347.507 1.529 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CCC[N@@H+](C)CCN(C)C)c1 ZINC000424424904 252222897 /nfs/dbraw/zinc/22/28/97/252222897.db2.gz IVLCJVCEUCVGMB-UHFFFAOYSA-N 2 0 335.496 1.801 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CCC([NH+](C)C)CC2)c1 ZINC000424450480 252236095 /nfs/dbraw/zinc/23/60/95/252236095.db2.gz XTRDTTZOCKRELS-UHFFFAOYSA-N 2 0 332.448 1.381 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000415620443 304240404 /nfs/dbraw/zinc/24/04/04/304240404.db2.gz ITZWCTGSLAOFAB-YOEHRIQHSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])ccn2)CC1 ZINC000263084564 139321506 /nfs/dbraw/zinc/32/15/06/139321506.db2.gz XUVVGRVUQWTZNV-LPHOPBHVSA-N 2 0 345.491 1.357 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000345020868 285023625 /nfs/dbraw/zinc/02/36/25/285023625.db2.gz OICBGXQNDIPLRJ-BRWVUGGUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415723597 304261585 /nfs/dbraw/zinc/26/15/85/304261585.db2.gz DSBMQPKSHDEEAK-RHSMWYFYSA-N 2 0 344.459 1.212 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000488832876 255056913 /nfs/dbraw/zinc/05/69/13/255056913.db2.gz SUIYCSILMHJRLH-ROUUACIJSA-N 2 0 337.508 1.678 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000491846355 255152084 /nfs/dbraw/zinc/15/20/84/255152084.db2.gz PPVHUYZRRGUWAS-POHAHGRESA-N 2 0 330.476 1.433 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000570394320 306540375 /nfs/dbraw/zinc/54/03/75/306540375.db2.gz AHLKYMNXEBSXOD-JSGCOSHPSA-N 2 0 325.403 1.853 20 0 EDADRP C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000496223903 255366646 /nfs/dbraw/zinc/36/66/46/255366646.db2.gz GPHAUTMLYDSVOC-GUYCJALGSA-N 2 0 331.501 1.828 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCCC[NH+]1CCCCCC1 ZINC000496234629 255367873 /nfs/dbraw/zinc/36/78/73/255367873.db2.gz GGHWXGIEISRPRL-UHFFFAOYSA-N 2 0 341.500 1.891 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CSC1(C)C ZINC000338807707 285278275 /nfs/dbraw/zinc/27/82/75/285278275.db2.gz BPNLUNBYUSGJEP-GJZGRUSLSA-N 2 0 342.553 1.938 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701605 285278639 /nfs/dbraw/zinc/27/86/39/285278639.db2.gz KHGGLMVWCNORNS-CVEARBPZSA-N 3 0 327.517 1.171 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(C)n1 ZINC000347947337 285281157 /nfs/dbraw/zinc/28/11/57/285281157.db2.gz SMXALHFEMZOKST-INIZCTEOSA-N 2 0 333.480 1.582 20 0 EDADRP O[C@@H]1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[NH+](Cc2ccccc2)C1 ZINC000305773678 285334332 /nfs/dbraw/zinc/33/43/32/285334332.db2.gz XMZDURYVJXGYTD-IYWMVGAKSA-N 2 0 329.488 1.838 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC000264272424 139392259 /nfs/dbraw/zinc/39/22/59/139392259.db2.gz AGEIOMYZAQMHQY-OAHLLOKOSA-N 2 0 334.460 1.982 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416213584 304296366 /nfs/dbraw/zinc/29/63/66/304296366.db2.gz HTZZVJFDZOICOT-FUHWJXTLSA-N 2 0 333.476 1.595 20 0 EDADRP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000416302992 304307375 /nfs/dbraw/zinc/30/73/75/304307375.db2.gz QCJLCUNURUDQRC-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332536170 141198534 /nfs/dbraw/zinc/19/85/34/141198534.db2.gz IYTNEMGGVFWWNK-HUUCEWRRSA-N 2 0 347.463 1.405 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000333032862 141253003 /nfs/dbraw/zinc/25/30/03/141253003.db2.gz HWGOJVVGNHJIES-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP [NH3+]C[C@@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582453 141340393 /nfs/dbraw/zinc/34/03/93/141340393.db2.gz OBBZFFSPNHPWQJ-JQHSSLGASA-N 2 0 333.451 1.568 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333623396 141346421 /nfs/dbraw/zinc/34/64/21/141346421.db2.gz USFAQWLDZPSXIE-HNNXBMFYSA-N 2 0 345.491 1.770 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000333645653 141349825 /nfs/dbraw/zinc/34/98/25/141349825.db2.gz YBMKFQYXWIQDNT-GASCZTMLSA-N 2 0 345.491 1.628 20 0 EDADRP Cn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333653098 141350933 /nfs/dbraw/zinc/35/09/33/141350933.db2.gz ZIPGUIZBKAVFDJ-INMHGKMJSA-N 2 0 345.491 1.443 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000333789243 141382194 /nfs/dbraw/zinc/38/21/94/141382194.db2.gz FXGZNBSICHUVSA-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(C)C ZINC000339612268 142093399 /nfs/dbraw/zinc/09/33/99/142093399.db2.gz JNTCWEKDHQGGSH-HNNXBMFYSA-N 2 0 342.528 1.314 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CCN1C1CC[NH+](C)CC1 ZINC000340007647 142232438 /nfs/dbraw/zinc/23/24/38/142232438.db2.gz WZIZCURLVFRGTP-OAHLLOKOSA-N 2 0 341.459 1.575 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341054488 142554605 /nfs/dbraw/zinc/55/46/05/142554605.db2.gz PQJBGGYFKLWKJR-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000343823107 142893589 /nfs/dbraw/zinc/89/35/89/142893589.db2.gz SZWWIACZCNBNGC-INMHGKMJSA-N 2 0 338.496 1.269 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000345148936 143057844 /nfs/dbraw/zinc/05/78/44/143057844.db2.gz LKIHSXWJUIARSV-UHFFFAOYSA-N 2 0 345.447 1.560 20 0 EDADRP CCN(C)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000345163985 143059837 /nfs/dbraw/zinc/05/98/37/143059837.db2.gz KULKLAMLAQBQAS-UHFFFAOYSA-N 2 0 347.507 1.428 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000345209061 143064647 /nfs/dbraw/zinc/06/46/47/143064647.db2.gz KKWVOZCMTYZLND-AEFFLSMTSA-N 2 0 345.487 1.327 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC[N@@H+]1C ZINC000345324008 143077931 /nfs/dbraw/zinc/07/79/31/143077931.db2.gz QKZQGWNJILSEBM-SJORKVTESA-N 2 0 345.491 1.193 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000345924042 143147723 /nfs/dbraw/zinc/14/77/23/143147723.db2.gz ARKJFQRVZGLTKM-SFHVURJKSA-N 2 0 333.476 1.736 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346224717 143180644 /nfs/dbraw/zinc/18/06/44/143180644.db2.gz QIXPFTBCCKCPBU-KRWDZBQOSA-N 2 0 329.448 1.464 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000346395206 143200279 /nfs/dbraw/zinc/20/02/79/143200279.db2.gz RGFQVNVQZNDKSL-IXDOHACOSA-N 2 0 340.512 1.467 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000346602000 143221087 /nfs/dbraw/zinc/22/10/87/143221087.db2.gz HXVXRHUXZJHTGC-SQNIBIBYSA-N 2 0 327.513 1.170 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCC2CC[NH+](C)CC2)[N@H+](C)C1 ZINC000347044902 143275822 /nfs/dbraw/zinc/27/58/22/143275822.db2.gz AEEHRKUHFRNQGJ-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000347065371 143278224 /nfs/dbraw/zinc/27/82/24/143278224.db2.gz KTAFUHXHYZYZOF-INIZCTEOSA-N 2 0 341.459 1.468 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000347068004 143278399 /nfs/dbraw/zinc/27/83/99/143278399.db2.gz LCPRQTMENMRYKC-CABCVRRESA-N 2 0 328.501 1.373 20 0 EDADRP Cc1ccn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cnc2c1 ZINC000347176748 143291346 /nfs/dbraw/zinc/29/13/46/143291346.db2.gz RBFJWINXSMFEAA-MRXNPFEDSA-N 2 0 341.459 1.287 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000347759509 143359274 /nfs/dbraw/zinc/35/92/74/143359274.db2.gz JIFHXWMQOFMMNI-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000351642046 143591377 /nfs/dbraw/zinc/59/13/77/143591377.db2.gz SYRNMXHBRZPNFN-HZPDHXFCSA-N 2 0 340.512 1.260 20 0 EDADRP CCOC1CC(C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)(N2CCOCC2)C1 ZINC000415110324 286012209 /nfs/dbraw/zinc/01/22/09/286012209.db2.gz SMZJXJKFTQXEPL-VEZWFGLTSA-N 2 0 325.497 1.234 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416782211 304348794 /nfs/dbraw/zinc/34/87/94/304348794.db2.gz FPCKIKZDCRWULS-KURKYZTESA-N 2 0 328.460 1.827 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[NH+](C)C)cc1 ZINC000416842420 304350529 /nfs/dbraw/zinc/35/05/29/304350529.db2.gz NBNSYRARJCULRM-SQNIBIBYSA-N 2 0 330.476 1.855 20 0 EDADRP COc1ccccc1-n1nccc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352693011 149118220 /nfs/dbraw/zinc/11/82/20/149118220.db2.gz ISTGBKJIDNQTEQ-INIZCTEOSA-N 2 0 341.459 1.360 20 0 EDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000352778078 149162392 /nfs/dbraw/zinc/16/23/92/149162392.db2.gz FGNSROJDIQCGNE-IRXDYDNUSA-N 2 0 345.491 1.145 20 0 EDADRP CCC[C@@]1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000352815635 149178671 /nfs/dbraw/zinc/17/86/71/149178671.db2.gz KXCLNLSTZBDCRP-FUHWJXTLSA-N 2 0 341.496 1.008 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(C)cnn3C)cn2)CC1 ZINC000352835906 149185727 /nfs/dbraw/zinc/18/57/27/149185727.db2.gz ZFUGTKKQHURAPD-UHFFFAOYSA-N 2 0 328.464 1.555 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CCF)c1 ZINC000352864429 149194220 /nfs/dbraw/zinc/19/42/20/149194220.db2.gz DSNZXMHACJFCJW-MRXNPFEDSA-N 2 0 339.459 1.341 20 0 EDADRP CC(C)[C@@](C)(O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353162326 149308225 /nfs/dbraw/zinc/30/82/25/149308225.db2.gz PPVFLQQPATYTKE-GOSISDBHSA-N 2 0 334.464 1.117 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]([NH3+])CCSC)CC1 ZINC000353210792 149326934 /nfs/dbraw/zinc/32/69/34/149326934.db2.gz ZLPFERYCYFGZAY-HNNXBMFYSA-N 2 0 331.526 1.416 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000353267522 149345738 /nfs/dbraw/zinc/34/57/38/149345738.db2.gz USGHCWBPALKNQC-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CCC[C@@H]1CN(c2ccnc(N3CCOCC3)n2)CC[N@@H+]1CCOC ZINC000353265832 149345950 /nfs/dbraw/zinc/34/59/50/149345950.db2.gz MXJBYRGSXDCDGV-MRXNPFEDSA-N 2 0 349.479 1.250 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416975467 304358972 /nfs/dbraw/zinc/35/89/72/304358972.db2.gz ZGVCMFXMENSGNF-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H]1C ZINC000416976011 304359270 /nfs/dbraw/zinc/35/92/70/304359270.db2.gz PIEZTDMLIOUILQ-CABCVRRESA-N 2 0 334.464 1.519 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979190 304360113 /nfs/dbraw/zinc/36/01/13/304360113.db2.gz WRTPJFNWOLDQLI-RHSMWYFYSA-N 2 0 334.464 1.424 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](F)CN2Cc2nccn2C)CC1 ZINC000354861002 150000270 /nfs/dbraw/zinc/00/02/70/150000270.db2.gz FZVWXOFSYMZIGC-NVXWUHKLSA-N 3 0 337.487 1.795 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NCC1C[NH2+]C1 ZINC000416981550 304360901 /nfs/dbraw/zinc/36/09/01/304360901.db2.gz CPZNAZRPTKYLJS-UHFFFAOYSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC[NH+](C)CC1 ZINC000355111304 150122132 /nfs/dbraw/zinc/12/21/32/150122132.db2.gz NOURNPBAGWZJDO-HZPDHXFCSA-N 2 0 349.523 1.033 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@H](C[NH3+])C1 ZINC000417042659 304365129 /nfs/dbraw/zinc/36/51/29/304365129.db2.gz LUUKIMNNGKEBPI-YESZJQIVSA-N 2 0 340.512 1.789 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCCCC[NH3+])CC2)c1 ZINC000417051176 304366705 /nfs/dbraw/zinc/36/67/05/304366705.db2.gz MXLGTMOBHCDYDY-UHFFFAOYSA-N 2 0 347.507 1.545 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417049545 304366890 /nfs/dbraw/zinc/36/68/90/304366890.db2.gz UKSCXSDDVHRKON-JKSUJKDBSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000357245760 150969476 /nfs/dbraw/zinc/96/94/76/150969476.db2.gz QUEFQMDXCGFYSW-IAGOWNOFSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000357580077 151074079 /nfs/dbraw/zinc/07/40/79/151074079.db2.gz HPFPMUDVWWPTAW-OAHLLOKOSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000357820287 151161762 /nfs/dbraw/zinc/16/17/62/151161762.db2.gz ZOSJXYXHHGKJPY-XHSDSOJGSA-N 2 0 338.496 1.435 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000358092154 151267174 /nfs/dbraw/zinc/26/71/74/151267174.db2.gz GNNVNNJLCZMTGI-JKSUJKDBSA-N 2 0 340.512 1.071 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358130683 151283247 /nfs/dbraw/zinc/28/32/47/151283247.db2.gz VJJOQIPGJFQABS-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1=CCCOC1 ZINC000358739193 151481531 /nfs/dbraw/zinc/48/15/31/151481531.db2.gz SKQWTMHIENNIQV-UHFFFAOYSA-N 2 0 326.485 1.248 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000360796429 152208276 /nfs/dbraw/zinc/20/82/76/152208276.db2.gz GKMXSDOUTLHIQX-XHSDSOJGSA-N 2 0 328.501 1.203 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000370135705 155342883 /nfs/dbraw/zinc/34/28/83/155342883.db2.gz IYACCQBAWRCGDV-AVEIZBFRSA-N 2 0 334.508 1.985 20 0 EDADRP CC(C)(C)OC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363632387 153017773 /nfs/dbraw/zinc/01/77/73/153017773.db2.gz BSICFKHHYPOXSY-KRWDZBQOSA-N 2 0 328.497 1.597 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000363676072 153026463 /nfs/dbraw/zinc/02/64/63/153026463.db2.gz OZWVEMBXVOAUBY-MRXNPFEDSA-N 2 0 334.439 1.826 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000363865908 153079838 /nfs/dbraw/zinc/07/98/38/153079838.db2.gz VQCMYEHBGYRSMO-WBVHZDCISA-N 2 0 335.492 1.620 20 0 EDADRP CC1CCC(O)(C[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000364330704 153207973 /nfs/dbraw/zinc/20/79/73/153207973.db2.gz WBJXQLOJNYUVRK-UHFFFAOYSA-N 2 0 339.524 1.268 20 0 EDADRP C[C@@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)C1=CC[N@H+](C)CC1 ZINC000364689632 153303807 /nfs/dbraw/zinc/30/38/07/153303807.db2.gz YBPHNHBGEUZPBD-OAHLLOKOSA-N 2 0 327.472 1.852 20 0 EDADRP COC(=O)c1coc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000364948796 153380578 /nfs/dbraw/zinc/38/05/78/153380578.db2.gz ZATOZDDDDBKIKF-UHFFFAOYSA-N 2 0 349.475 1.916 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000417201601 304384094 /nfs/dbraw/zinc/38/40/94/304384094.db2.gz WSIBFNXPRHFICE-CGTJXYLNSA-N 2 0 332.492 1.928 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000417232850 304386243 /nfs/dbraw/zinc/38/62/43/304386243.db2.gz QRAFHDYJJPOGEH-RCCFBDPRSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[NH+]3CCC2CC3)cc1 ZINC000367071411 153999237 /nfs/dbraw/zinc/99/92/37/153999237.db2.gz BGYUURAEABCZSZ-UHFFFAOYSA-N 2 0 346.475 1.617 20 0 EDADRP C[C@@H]1CCC[N@@H+]1C1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274560 154062729 /nfs/dbraw/zinc/06/27/29/154062729.db2.gz NGZBPBKMJRJDNK-CABCVRRESA-N 2 0 329.510 1.217 20 0 EDADRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C1CCCC1 ZINC000367537593 154166054 /nfs/dbraw/zinc/16/60/54/154166054.db2.gz HCDVHFBYWGEHDQ-HQSKLWIPSA-N 2 0 337.508 1.865 20 0 EDADRP CCOC1CC2(C1)CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C2 ZINC000367598347 154192624 /nfs/dbraw/zinc/19/26/24/154192624.db2.gz QLRLJOJBXRQMKL-UHFFFAOYSA-N 2 0 337.508 1.866 20 0 EDADRP COC(=O)c1cc(C)nc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000367733925 154249305 /nfs/dbraw/zinc/24/93/05/154249305.db2.gz LAHGISWWVYABFM-ZDUSSCGKSA-N 2 0 333.436 1.152 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000574580961 306653424 /nfs/dbraw/zinc/65/34/24/306653424.db2.gz HOPFRVMLWUKTSD-JZXOWHBKSA-N 2 0 333.863 1.855 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993515 154358652 /nfs/dbraw/zinc/35/86/52/154358652.db2.gz LZAQOCHSFAUWRW-HUUCEWRRSA-N 2 0 330.432 1.211 20 0 EDADRP O=C1NC[C@@H]2C[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@H]12 ZINC000368066059 154393305 /nfs/dbraw/zinc/39/33/05/154393305.db2.gz WBUJDWWPDQHCSC-QRVBRYPASA-N 2 0 343.471 1.345 20 0 EDADRP Cn1ncc2c1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000369048524 154843467 /nfs/dbraw/zinc/84/34/67/154843467.db2.gz PHBIHBQWDYIFOM-INIZCTEOSA-N 2 0 349.523 1.257 20 0 EDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000369598775 155104165 /nfs/dbraw/zinc/10/41/65/155104165.db2.gz CXBZEYYFKRJOPY-MOPGFXCFSA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000417485343 304399493 /nfs/dbraw/zinc/39/94/93/304399493.db2.gz WGWINJMIUDHZIC-QGZVFWFLSA-N 2 0 348.491 1.816 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000372419663 156380764 /nfs/dbraw/zinc/38/07/64/156380764.db2.gz DOLVPDNIAVOANK-IXDOHACOSA-N 2 0 349.519 1.819 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417526255 304403274 /nfs/dbraw/zinc/40/32/74/304403274.db2.gz MNIBKKNHPZAUSK-YJBOKZPZSA-N 2 0 348.491 1.467 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000378186941 158103353 /nfs/dbraw/zinc/10/33/53/158103353.db2.gz GIBRKWRPYGMDNN-IEBWSBKVSA-N 2 0 333.476 1.942 20 0 EDADRP C[C@H](CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)C1CC[NH2+]CC1 ZINC000378200286 158106303 /nfs/dbraw/zinc/10/63/03/158106303.db2.gz APRDOLLPRPYTQZ-AEFFLSMTSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000417952927 304437236 /nfs/dbraw/zinc/43/72/36/304437236.db2.gz OWDNSWJDANMYQC-HOCLYGCPSA-N 2 0 349.479 1.209 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCc1nccs1 ZINC000299478479 161599466 /nfs/dbraw/zinc/59/94/66/161599466.db2.gz BEBWHMQZGDDEDW-UHFFFAOYSA-N 2 0 341.525 1.601 20 0 EDADRP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)C[C@H](C)O ZINC000352201423 162046725 /nfs/dbraw/zinc/04/67/25/162046725.db2.gz FSTGLUYMBMNHPN-SFHVURJKSA-N 2 0 347.503 1.732 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000352224356 162059638 /nfs/dbraw/zinc/05/96/38/162059638.db2.gz YMVKBPRIDAFVPF-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366558627 162394637 /nfs/dbraw/zinc/39/46/37/162394637.db2.gz WJZOTEGLBOLVLX-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000121042734 287034804 /nfs/dbraw/zinc/03/48/04/287034804.db2.gz GGCGWCALWODVMJ-JKSUJKDBSA-N 2 0 343.479 1.196 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)cc1 ZINC000418062428 304453177 /nfs/dbraw/zinc/45/31/77/304453177.db2.gz ZAUWJULAPDOULS-GOSISDBHSA-N 2 0 330.476 1.827 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000074676127 287272432 /nfs/dbraw/zinc/27/24/32/287272432.db2.gz QKYPUAPSWVTGFK-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077591722 287288677 /nfs/dbraw/zinc/28/86/77/287288677.db2.gz KUIMKYKDFPFAFT-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1)C1CC1 ZINC000077590822 287288882 /nfs/dbraw/zinc/28/88/82/287288882.db2.gz IBNYETSICBUHNY-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353537172 287318038 /nfs/dbraw/zinc/31/80/38/287318038.db2.gz WOJBMAQUPFPDIX-IRXDYDNUSA-N 2 0 336.524 1.441 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418317494 304479211 /nfs/dbraw/zinc/47/92/11/304479211.db2.gz MSNMJDFRGCBBKT-IUODEOHRSA-N 2 0 326.391 1.319 20 0 EDADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000121683061 287373744 /nfs/dbraw/zinc/37/37/44/287373744.db2.gz NGAPWQUQEHCNPK-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000169105240 226232269 /nfs/dbraw/zinc/23/22/69/226232269.db2.gz YXKYAUNYMLKVGG-AEFFLSMTSA-N 2 0 331.460 1.174 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCCC1 ZINC000418360645 304485684 /nfs/dbraw/zinc/48/56/84/304485684.db2.gz GGAGHVJZZLHIBV-HOTGVXAUSA-N 2 0 338.496 1.291 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000418484774 304501930 /nfs/dbraw/zinc/50/19/30/304501930.db2.gz DQQBJQPAIUZQRK-INIZCTEOSA-N 2 0 326.485 1.256 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261749314 273017270 /nfs/dbraw/zinc/01/72/70/273017270.db2.gz LAUGCEXQPVODNL-MJGOQNOKSA-N 2 0 345.487 1.721 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nc[nH]c2n1 ZINC000273301840 268019899 /nfs/dbraw/zinc/01/98/99/268019899.db2.gz KRMDYIFFFOUIIB-CQSZACIVSA-N 2 0 344.463 1.446 20 0 EDADRP CS[C@@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1[NH+]1CCCC1 ZINC000275075468 268276386 /nfs/dbraw/zinc/27/63/86/268276386.db2.gz CMOHLJUEIYZVDO-HZPDHXFCSA-N 2 0 334.489 1.799 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000277655892 268569881 /nfs/dbraw/zinc/56/98/81/268569881.db2.gz SWOBOOOQEJEBFJ-OKZBNKHCSA-N 2 0 331.460 1.080 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000175906710 272937408 /nfs/dbraw/zinc/93/74/08/272937408.db2.gz NWDNOMKBJWFAOQ-DLBZAZTESA-N 2 0 338.496 1.082 20 0 EDADRP NC(=O)NC(=O)OCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280559256 273371280 /nfs/dbraw/zinc/37/12/80/273371280.db2.gz UXDZQIMSHBZNPI-IYBDPMFKSA-N 2 0 346.431 1.245 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000339314757 274023223 /nfs/dbraw/zinc/02/32/23/274023223.db2.gz DGEUTWJWYFNTTO-SJLPKXTDSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284271007 274141209 /nfs/dbraw/zinc/14/12/09/274141209.db2.gz HNLSOWKOILGYSO-CQSZACIVSA-N 2 0 330.432 1.499 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369203077 276363157 /nfs/dbraw/zinc/36/31/57/276363157.db2.gz FUSHCZDABLGIID-ZACQAIPSSA-N 2 0 338.496 1.101 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(C2CC2)n1 ZINC000343642313 276370849 /nfs/dbraw/zinc/37/08/49/276370849.db2.gz DTCFHXVZCCGZIO-OAHLLOKOSA-N 2 0 333.480 1.775 20 0 EDADRP CN(C)c1ncc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414973827 276899255 /nfs/dbraw/zinc/89/92/55/276899255.db2.gz KWENQKXMHCEGDX-LLVKDONJSA-N 2 0 337.415 1.135 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338569689 277047848 /nfs/dbraw/zinc/04/78/48/277047848.db2.gz LIOCZGYFGOGPJM-JKSUJKDBSA-N 2 0 325.497 1.534 20 0 EDADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000359223436 277082777 /nfs/dbraw/zinc/08/27/77/277082777.db2.gz RZLCKGSBZRWYIX-PBHICJAKSA-N 2 0 346.475 1.883 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000195159191 277104976 /nfs/dbraw/zinc/10/49/76/277104976.db2.gz CMACAZNHMLGOET-MOPGFXCFSA-N 2 0 344.503 1.481 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@H]2CCC[C@H]21 ZINC000367604402 277171142 /nfs/dbraw/zinc/17/11/42/277171142.db2.gz BKJOBTKLLRGFCC-FGTMMUONSA-N 2 0 344.507 1.061 20 0 EDADRP COC(=O)[C@@H]1CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000247187937 277347329 /nfs/dbraw/zinc/34/73/29/277347329.db2.gz SQJOXAAOJQSMMK-PHZGNYQRSA-N 2 0 340.464 1.393 20 0 EDADRP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000286220097 287961985 /nfs/dbraw/zinc/96/19/85/287961985.db2.gz SJSISAJCUYPRJY-CQSZACIVSA-N 2 0 330.432 1.604 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000414876367 277602125 /nfs/dbraw/zinc/60/21/25/277602125.db2.gz VTGOMOSHHSNWAM-CABCVRRESA-N 2 0 344.459 1.589 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000366548785 277720059 /nfs/dbraw/zinc/72/00/59/277720059.db2.gz CNKWALJTCBDABX-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@@H](C)O1 ZINC000165562703 277888679 /nfs/dbraw/zinc/88/86/79/277888679.db2.gz SYGULPDLFRZVMW-ZBRFXRBCSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417021863 278171472 /nfs/dbraw/zinc/17/14/72/278171472.db2.gz NTPKXIIHQMPFDJ-SJLPKXTDSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000414856596 278319128 /nfs/dbraw/zinc/31/91/28/278319128.db2.gz OMLJMZKDSXHHEK-PBHICJAKSA-N 2 0 344.459 1.732 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000458946447 278980415 /nfs/dbraw/zinc/98/04/15/278980415.db2.gz ZNUJAHFKLZBLCK-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419886447 279101916 /nfs/dbraw/zinc/10/19/16/279101916.db2.gz DBQNARAJJWFNOF-JKSUJKDBSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281231 288104195 /nfs/dbraw/zinc/10/41/95/288104195.db2.gz BTCQANAOHALDOF-BDXSIMOUSA-N 2 0 325.497 1.186 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC(C)(C)[NH3+])CC1 ZINC000416993409 279363680 /nfs/dbraw/zinc/36/36/80/279363680.db2.gz QDJKWJMCFYGMJH-UHFFFAOYSA-N 2 0 347.507 1.361 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC000333237314 279875069 /nfs/dbraw/zinc/87/50/69/279875069.db2.gz DFUSRDYIFFHWGS-HPFXQQBRSA-N 2 0 335.492 1.571 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417700482 281056259 /nfs/dbraw/zinc/05/62/59/281056259.db2.gz LKFQECLQAQJIPF-RDJZCZTQSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@H](CNc1nc(NC[C@H](C)[NH+](C)C)nc2c1SCC2)[NH+](C)C ZINC000288294889 288452013 /nfs/dbraw/zinc/45/20/13/288452013.db2.gz GXLGOJZIGRFIMR-NEPJUHHUSA-N 2 0 338.525 1.849 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000289732627 288768873 /nfs/dbraw/zinc/76/88/73/288768873.db2.gz LTMDTBPARIBSND-OALUTQOASA-N 2 0 342.487 1.116 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000420809169 289046249 /nfs/dbraw/zinc/04/62/49/289046249.db2.gz YNTMBQRFNVWQGK-GOSISDBHSA-N 2 0 344.503 1.821 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291810135 289185806 /nfs/dbraw/zinc/18/58/06/289185806.db2.gz YESVPNUJZRPPDJ-QGZVFWFLSA-N 2 0 342.491 1.442 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291872538 289202649 /nfs/dbraw/zinc/20/26/49/289202649.db2.gz IMSPHGANCSOMEV-AZUAARDMSA-N 2 0 344.503 1.897 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C(N)=O)[C@H](C)c2ccccc2)CC1 ZINC000292110778 289263430 /nfs/dbraw/zinc/26/34/30/289263430.db2.gz HDLZECIYEDDEOF-MJGOQNOKSA-N 2 0 346.519 1.650 20 0 EDADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CN1CCOCC1 ZINC000422769428 289694472 /nfs/dbraw/zinc/69/44/72/289694472.db2.gz SWUYTXBZUFBPJO-YVWKXTFCSA-N 2 0 345.487 1.800 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000333724518 295224913 /nfs/dbraw/zinc/22/49/13/295224913.db2.gz VDCMZLWHWQBSGQ-MVJTYMMSSA-N 2 0 344.459 1.002 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333441535 295245113 /nfs/dbraw/zinc/24/51/13/295245113.db2.gz WCYXXAXASIOVOD-YESZJQIVSA-N 2 0 338.496 1.277 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332520524 295267965 /nfs/dbraw/zinc/26/79/65/295267965.db2.gz KECOPGHYVYCQDV-IAGOWNOFSA-N 2 0 338.496 1.258 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418555895 304512801 /nfs/dbraw/zinc/51/28/01/304512801.db2.gz OAEGKVZZAOQKQI-DLBZAZTESA-N 2 0 348.491 1.780 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737721 297277391 /nfs/dbraw/zinc/27/73/91/297277391.db2.gz OCFDRHCIJNVOMM-PBHICJAKSA-N 2 0 330.476 1.525 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418609070 304518507 /nfs/dbraw/zinc/51/85/07/304518507.db2.gz SGCBYIOKWDTQBA-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000422633363 297367279 /nfs/dbraw/zinc/36/72/79/297367279.db2.gz HZTPBDVZMWBVSF-NEPXVJNWSA-N 2 0 346.519 1.711 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000418867638 304541563 /nfs/dbraw/zinc/54/15/63/304541563.db2.gz VAKYENYEAICTBJ-RDJZCZTQSA-N 2 0 346.475 1.006 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419807594 304687742 /nfs/dbraw/zinc/68/77/42/304687742.db2.gz TWEVWXKYFWYNGI-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000420395465 304755233 /nfs/dbraw/zinc/75/52/33/304755233.db2.gz DIJQIPRCSCCTET-ZCNNSNEGSA-N 2 0 325.456 1.564 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000420320843 304751639 /nfs/dbraw/zinc/75/16/39/304751639.db2.gz CAGUGVRAVIHJEY-QUCCMNQESA-N 2 0 343.471 1.400 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000419656080 447325252 /nfs/dbraw/zinc/32/52/52/447325252.db2.gz UQQJGLQEWUUCJF-HOCLYGCPSA-N 2 0 346.475 1.100 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293663951 303000405 /nfs/dbraw/zinc/00/04/05/303000405.db2.gz PTQWDOJXJHKEMF-OAHLLOKOSA-N 2 0 346.475 1.381 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000294231954 303080721 /nfs/dbraw/zinc/08/07/21/303080721.db2.gz WWMDTPFAMAACRO-INIZCTEOSA-N 2 0 325.432 1.596 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333619527 303358266 /nfs/dbraw/zinc/35/82/66/303358266.db2.gz ZEMJTUJXAQBHIV-MVZVEYBKSA-N 2 0 332.492 1.533 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)NC(=O)NC1CCCCC1)CC1CCCC1 ZINC000352488411 303376216 /nfs/dbraw/zinc/37/62/16/303376216.db2.gz PWERFBSHGXAGDC-UHFFFAOYSA-N 2 0 338.496 1.986 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353734691 303479567 /nfs/dbraw/zinc/47/95/67/303479567.db2.gz HDWZJYFUYMIKAK-WQAKAFBOSA-N 2 0 333.329 1.509 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000419664949 447331509 /nfs/dbraw/zinc/33/15/09/447331509.db2.gz NECYLVMBSPSLGM-UHFFFAOYSA-N 2 0 340.512 1.389 20 0 EDADRP COc1sc(C[NH2+]CCN2CC[NH2+]CC2)cc1Br ZINC000414868520 447334811 /nfs/dbraw/zinc/33/48/11/447334811.db2.gz QAIQYYUETJXBGG-UHFFFAOYSA-N 2 0 334.283 1.514 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000418753709 303770626 /nfs/dbraw/zinc/77/06/26/303770626.db2.gz VUCWXGWTWFVMOQ-IAGOWNOFSA-N 2 0 338.496 1.272 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000422602751 304873845 /nfs/dbraw/zinc/87/38/45/304873845.db2.gz IANOWDXAQRMVQP-LSDHHAIUSA-N 2 0 326.485 1.181 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000422989037 304882389 /nfs/dbraw/zinc/88/23/89/304882389.db2.gz LLGWHGQVGVGEDM-NEPJUHHUSA-N 2 0 327.375 1.414 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000422998443 304882647 /nfs/dbraw/zinc/88/26/47/304882647.db2.gz CSMPELIXEHQJGD-CABCVRRESA-N 2 0 339.505 1.828 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423098662 304885909 /nfs/dbraw/zinc/88/59/09/304885909.db2.gz DEIHROMESZZCGM-KGLIPLIRSA-N 2 0 345.534 1.866 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117764 304887489 /nfs/dbraw/zinc/88/74/89/304887489.db2.gz WZUPAYSSZWWBPG-MFKMUULPSA-N 2 0 349.859 1.474 20 0 EDADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)[C@@H]2C1 ZINC000425897263 304976519 /nfs/dbraw/zinc/97/65/19/304976519.db2.gz SNEYLGJABWMDMB-CGTJXYLNSA-N 2 0 346.475 1.878 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000430774833 305064588 /nfs/dbraw/zinc/06/45/88/305064588.db2.gz GZZPUXPFVBHXQZ-CQSZACIVSA-N 2 0 334.468 1.007 20 0 EDADRP C[C@@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873424 305066537 /nfs/dbraw/zinc/06/65/37/305066537.db2.gz SLQAPJCMCGWKTO-HNAYVOBHSA-N 2 0 344.459 1.322 20 0 EDADRP Cc1c(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878668 305066721 /nfs/dbraw/zinc/06/67/21/305066721.db2.gz KAYXGRGJKUEPNN-OKILXGFUSA-N 2 0 348.495 1.504 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000430950619 305070372 /nfs/dbraw/zinc/07/03/72/305070372.db2.gz IHYSXSIPYCSCDN-RDTXWAMCSA-N 2 0 349.450 1.785 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCn2cnc3ccccc32)CC1 ZINC000433129259 305101295 /nfs/dbraw/zinc/10/12/95/305101295.db2.gz NLNPTKRNBHWYQI-UHFFFAOYSA-N 2 0 329.448 1.356 20 0 EDADRP Cc1cnn([C@@H]2CCCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)C2)c1 ZINC000433147890 305101688 /nfs/dbraw/zinc/10/16/88/305101688.db2.gz PHSHDMQOPAHXNO-QGZVFWFLSA-N 2 0 333.480 1.558 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433161584 305102140 /nfs/dbraw/zinc/10/21/40/305102140.db2.gz KKKHLBVTAZZOQL-WBVHZDCISA-N 2 0 325.497 1.901 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433381546 305107056 /nfs/dbraw/zinc/10/70/56/305107056.db2.gz AHCKXEBTDDYGBC-HZPDHXFCSA-N 2 0 346.479 1.197 20 0 EDADRP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000433388286 305107471 /nfs/dbraw/zinc/10/74/71/305107471.db2.gz UFWBCFSZLXOKFC-HOTGVXAUSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388137 305107566 /nfs/dbraw/zinc/10/75/66/305107566.db2.gz LQFIWGNWVUTOEW-JKSUJKDBSA-N 2 0 342.528 1.763 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000435376140 305139225 /nfs/dbraw/zinc/13/92/25/305139225.db2.gz PTBOXMITYFRCJE-DZGCQCFKSA-N 2 0 335.448 1.379 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COCc1ccco1 ZINC000441266103 305219928 /nfs/dbraw/zinc/21/99/28/305219928.db2.gz MTFJRRUHUOZDSR-CYGHRXIMSA-N 2 0 338.448 1.341 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2COc3ccccc3O2)C1 ZINC000443064112 305234272 /nfs/dbraw/zinc/23/42/72/305234272.db2.gz BPEJDMPGSDOZRS-LSDHHAIUSA-N 2 0 333.432 1.003 20 0 EDADRP COc1ccc(CCNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443066735 305234452 /nfs/dbraw/zinc/23/44/52/305234452.db2.gz SCFCTBQISSXXEP-MRXNPFEDSA-N 2 0 349.475 1.423 20 0 EDADRP C[C@@H](C(=O)N(C)CC[NH+](C)C1CCN(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000444030424 305242962 /nfs/dbraw/zinc/24/29/62/305242962.db2.gz KZKHYQFLSPBPBG-BBWFWOEESA-N 2 0 338.540 1.732 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCC2)C[C@@H]1CC ZINC000446626414 305268224 /nfs/dbraw/zinc/26/82/24/305268224.db2.gz XHEWCRDSMUWVQN-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)COC2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000449101681 305306546 /nfs/dbraw/zinc/30/65/46/305306546.db2.gz VBUVXGACOJGYQF-MMIPBJDJSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)[C@H](C)O1 ZINC000449179908 305308964 /nfs/dbraw/zinc/30/89/64/305308964.db2.gz XQMFKQUXIWZWCY-IJEWVQPXSA-N 2 0 325.497 1.769 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC000451997771 305377346 /nfs/dbraw/zinc/37/73/46/305377346.db2.gz ZUILWCRMKKLOHH-SFHVURJKSA-N 2 0 349.519 1.740 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000452393434 305397574 /nfs/dbraw/zinc/39/75/74/305397574.db2.gz SPBROXWIOIPZOR-RBUKOAKNSA-N 2 0 345.487 1.614 20 0 EDADRP CC(C)(C)[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425896758 447353359 /nfs/dbraw/zinc/35/33/59/447353359.db2.gz QPSAXEVKZILEDA-RHSMWYFYSA-N 2 0 334.464 1.925 20 0 EDADRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000496438146 305668455 /nfs/dbraw/zinc/66/84/55/305668455.db2.gz MAGQXYKYZKWTDD-AWEZNQCLSA-N 2 0 339.484 1.548 20 0 EDADRP CO[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000515832405 305728814 /nfs/dbraw/zinc/72/88/14/305728814.db2.gz VAOYHXMOZIWACZ-IRXDYDNUSA-N 2 0 341.883 1.225 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)nc1 ZINC000519407577 305768508 /nfs/dbraw/zinc/76/85/08/305768508.db2.gz PSRNDMJLGJFNIG-SJORKVTESA-N 2 0 345.491 1.309 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC ZINC000414928500 447360176 /nfs/dbraw/zinc/36/01/76/447360176.db2.gz QCXFQODNPUEZHX-INIZCTEOSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)([NH+](C)C)C1 ZINC000520805285 305783180 /nfs/dbraw/zinc/78/31/80/305783180.db2.gz UFFWQBINNGXWCN-VKJFTORMSA-N 2 0 348.495 1.270 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414932925 447362253 /nfs/dbraw/zinc/36/22/53/447362253.db2.gz WFDPLFIDSJZMNH-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529308484 305907679 /nfs/dbraw/zinc/90/76/79/305907679.db2.gz RKDIXTLLJVTZFB-HNNXBMFYSA-N 2 0 336.480 1.215 20 0 EDADRP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000529333605 305909946 /nfs/dbraw/zinc/90/99/46/305909946.db2.gz QSAKNTMTFDACML-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000414935290 447364496 /nfs/dbraw/zinc/36/44/96/447364496.db2.gz VHEGQKNXBRHCBW-OAHLLOKOSA-N 2 0 330.432 1.041 20 0 EDADRP COc1ccccc1SCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000535011555 306010363 /nfs/dbraw/zinc/01/03/63/306010363.db2.gz PEKUUAVWQBYPJR-UHFFFAOYSA-N 2 0 339.505 1.739 20 0 EDADRP CS[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C ZINC000543342505 306062657 /nfs/dbraw/zinc/06/26/57/306062657.db2.gz FGBABCUJGYLLTG-AWEZNQCLSA-N 2 0 332.558 1.899 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000548063665 306118932 /nfs/dbraw/zinc/11/89/32/306118932.db2.gz HXSAJBYYBQBFFP-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000548676526 306134927 /nfs/dbraw/zinc/13/49/27/306134927.db2.gz MXEAGXWTJQOPJJ-MJGOQNOKSA-N 2 0 345.491 1.687 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552049952 306174534 /nfs/dbraw/zinc/17/45/34/306174534.db2.gz KPGMWMJTQLRTFY-CABCVRRESA-N 2 0 346.475 1.694 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]Cc1cccc2c1NCC2)N1CC[NH2+]CC1 ZINC000414962591 447375258 /nfs/dbraw/zinc/37/52/58/447375258.db2.gz AFDGGXVPXMSRCR-CQSZACIVSA-N 2 0 328.382 1.580 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965298 447376384 /nfs/dbraw/zinc/37/63/84/447376384.db2.gz FLIFCFZULKEYDM-KFWWJZLASA-N 2 0 336.446 1.723 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000414964026 447377107 /nfs/dbraw/zinc/37/71/07/447377107.db2.gz LLNYVWILHSVBMN-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)CC1CCOCC1 ZINC000414973606 447380551 /nfs/dbraw/zinc/38/05/51/447380551.db2.gz KORGRAPIHNKSDN-DZGCQCFKSA-N 2 0 337.430 1.865 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497916 447389360 /nfs/dbraw/zinc/38/93/60/447389360.db2.gz HWQWKGDWYOABPF-ZBFHGGJFSA-N 2 0 328.526 1.455 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)CC1 ZINC000422186275 447393909 /nfs/dbraw/zinc/39/39/09/447393909.db2.gz AMYNDPOQMFSCKT-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415428052 447428612 /nfs/dbraw/zinc/42/86/12/447428612.db2.gz OBAQBKGAZBXKCX-NVXWUHKLSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)n[nH]1 ZINC000103211189 441177045 /nfs/dbraw/zinc/17/70/45/441177045.db2.gz HEHPOHUNOBZHGR-UHFFFAOYSA-N 2 0 329.448 1.642 20 0 EDADRP C[C@@H](Oc1cccc(F)c1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212334 441178125 /nfs/dbraw/zinc/17/81/25/441178125.db2.gz GHXUVTMKUKBWHA-CQSZACIVSA-N 2 0 325.428 1.545 20 0 EDADRP Cc1ccc(-c2n[nH]cc2CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000105475237 441255609 /nfs/dbraw/zinc/25/56/09/441255609.db2.gz UUTQENFEKREXMI-AWEZNQCLSA-N 2 0 345.447 1.655 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000072908427 441276282 /nfs/dbraw/zinc/27/62/82/441276282.db2.gz FMOGLNSLZRPWAZ-UHFFFAOYSA-N 2 0 348.491 1.691 20 0 EDADRP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000073988370 441377574 /nfs/dbraw/zinc/37/75/74/441377574.db2.gz GYVJMCJVJSPPML-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959435 441429571 /nfs/dbraw/zinc/42/95/71/441429571.db2.gz VHJSUORFZGSTSG-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCSC1 ZINC000074820950 441468819 /nfs/dbraw/zinc/46/88/19/441468819.db2.gz AWGKUZDVXRQKFO-HUUCEWRRSA-N 2 0 328.526 1.549 20 0 EDADRP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085790763 441450822 /nfs/dbraw/zinc/45/08/22/441450822.db2.gz NCSXIFAODCFIAX-HNNXBMFYSA-N 2 0 331.526 1.463 20 0 EDADRP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420898 441453028 /nfs/dbraw/zinc/45/30/28/441453028.db2.gz FTGAZRRTVVJHHH-QGZVFWFLSA-N 2 0 341.459 1.705 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000054510063 441582024 /nfs/dbraw/zinc/58/20/24/441582024.db2.gz RUSSLPQESMVJBP-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCCC[C@H]2C[NH+](C)C)ccn1 ZINC000136920695 441732352 /nfs/dbraw/zinc/73/23/52/441732352.db2.gz RPNAGRGCABQMJE-INIZCTEOSA-N 2 0 334.464 1.578 20 0 EDADRP Cn1ccnc1C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000136958523 441735047 /nfs/dbraw/zinc/73/50/47/441735047.db2.gz NYJMNPXZSBELGV-CVEARBPZSA-N 2 0 345.491 1.869 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C(=O)OC ZINC000056524350 441722560 /nfs/dbraw/zinc/72/25/60/441722560.db2.gz ITJGTYMRUSXVPQ-WMLDXEAASA-N 2 0 341.496 1.354 20 0 EDADRP C[C@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000121777043 441778016 /nfs/dbraw/zinc/77/80/16/441778016.db2.gz RBODDZQGWGBXON-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000092747320 441824562 /nfs/dbraw/zinc/82/45/62/441824562.db2.gz KDMIJEDXUKGCAZ-DLBZAZTESA-N 2 0 346.519 1.652 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CC[NH+](C)CC3)cc2)CC1 ZINC000174351960 441915158 /nfs/dbraw/zinc/91/51/58/441915158.db2.gz INDLBZQWFYYDJM-UHFFFAOYSA-N 2 0 344.503 1.995 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)no1 ZINC000174451296 441925436 /nfs/dbraw/zinc/92/54/36/441925436.db2.gz HKTBJPQDNSSFFG-HNNXBMFYSA-N 2 0 337.468 1.541 20 0 EDADRP C[C@H](CN1CCOCC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000078462983 441933015 /nfs/dbraw/zinc/93/30/15/441933015.db2.gz VVVKEPRWVCVWKY-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000174947556 441987642 /nfs/dbraw/zinc/98/76/42/441987642.db2.gz FSRKQAAGSJCOMI-LSDHHAIUSA-N 2 0 346.475 1.776 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCOCC2)[C@H](C)C1 ZINC000151182510 442020202 /nfs/dbraw/zinc/02/02/02/442020202.db2.gz DJSHYYSMZUJUOY-MSOLQXFVSA-N 2 0 327.513 1.435 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000079612830 442068584 /nfs/dbraw/zinc/06/85/84/442068584.db2.gz JVCWKDQCHICUQJ-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000120457516 442077168 /nfs/dbraw/zinc/07/71/68/442077168.db2.gz UEJFDYRFKLEHCK-HXUWFJFHSA-N 2 0 330.520 1.878 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000162792291 442122548 /nfs/dbraw/zinc/12/25/48/442122548.db2.gz JSSVUQGICXASBI-HBFSDRIKSA-N 2 0 348.487 1.989 20 0 EDADRP COc1cc(/C=C/C(=O)N2CCN(C)C[C@@H]2C[NH3+])ccc1OC(C)C ZINC000162575799 442105581 /nfs/dbraw/zinc/10/55/81/442105581.db2.gz NAZUUUGCCVSKQO-BVBGJJFLSA-N 2 0 347.459 1.597 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000163453571 442166798 /nfs/dbraw/zinc/16/67/98/442166798.db2.gz JEHRDQPHSBIXTG-CQSZACIVSA-N 2 0 329.448 1.926 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176059143 442168587 /nfs/dbraw/zinc/16/85/87/442168587.db2.gz XVWHCASQMDXCNK-UHFFFAOYSA-N 2 0 349.479 1.701 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000127452396 442204224 /nfs/dbraw/zinc/20/42/24/442204224.db2.gz QXQLCTCGSPOPFD-KURKYZTESA-N 2 0 333.476 1.324 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000163601053 442175482 /nfs/dbraw/zinc/17/54/82/442175482.db2.gz NKUXRSJUUIFBRN-ROUUACIJSA-N 2 0 333.476 1.737 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000152354644 442201633 /nfs/dbraw/zinc/20/16/33/442201633.db2.gz KQMJVFASFKZOJE-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)C1CC[NH2+]CC1)c1ccccc1 ZINC000167250561 442219416 /nfs/dbraw/zinc/21/94/16/442219416.db2.gz KRYQSADGLBRHMJ-SFHVURJKSA-N 2 0 333.476 1.812 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167249778 442219995 /nfs/dbraw/zinc/21/99/95/442219995.db2.gz SXVXPLKQKTUHPL-QZTJIDSGSA-N 2 0 333.476 1.812 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000168711211 442224580 /nfs/dbraw/zinc/22/45/80/442224580.db2.gz PEHPDTARALNASS-UHFFFAOYSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000127771061 442224652 /nfs/dbraw/zinc/22/46/52/442224652.db2.gz BDBFSPJBBURPPU-GGPKGHCWSA-N 2 0 345.535 1.518 20 0 EDADRP COC(=O)[C@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000171060898 442304928 /nfs/dbraw/zinc/30/49/28/442304928.db2.gz JBYUFFSBZMMVJS-PIGHNIFASA-N 2 0 338.448 1.313 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000171196330 442326038 /nfs/dbraw/zinc/32/60/38/442326038.db2.gz LZPOYTGJPLNUIQ-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000129320582 442311618 /nfs/dbraw/zinc/31/16/18/442311618.db2.gz YSHWQOYFEVRTBG-ROUUACIJSA-N 2 0 332.492 1.752 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000154022349 442317135 /nfs/dbraw/zinc/31/71/35/442317135.db2.gz YDVNLXXJUOBSST-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000131880521 442382617 /nfs/dbraw/zinc/38/26/17/442382617.db2.gz VXXLSWPGPBXTDP-WBVHZDCISA-N 2 0 328.501 1.109 20 0 EDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000178530115 442441919 /nfs/dbraw/zinc/44/19/19/442441919.db2.gz RJPIDEBUJWDXGY-CQSZACIVSA-N 2 0 343.475 1.871 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000186135576 442470224 /nfs/dbraw/zinc/47/02/24/442470224.db2.gz RWHUWJSOGRCCJL-UHFFFAOYSA-N 2 0 346.475 1.609 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000186449238 442536734 /nfs/dbraw/zinc/53/67/34/442536734.db2.gz HGBDHUMEFPGOCF-GOSISDBHSA-N 2 0 330.476 1.387 20 0 EDADRP CN(C(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000178980157 442544433 /nfs/dbraw/zinc/54/44/33/442544433.db2.gz AHTLFWACRRDXQY-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)N1CCN(C)CC1 ZINC000180191628 442556677 /nfs/dbraw/zinc/55/66/77/442556677.db2.gz CMFXZCUYQSTGKW-RYQLBKOJSA-N 2 0 330.476 1.184 20 0 EDADRP CCO[C@H]1C[C@@](CO)([NH2+]Cc2ccc(-n3ccnc3)nc2)C1(C)C ZINC000186596063 442569173 /nfs/dbraw/zinc/56/91/73/442569173.db2.gz OJFSBPHVMNQWPF-YJBOKZPZSA-N 2 0 330.432 1.923 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)CCNC(=O)C(C)C)c2cc1C ZINC000157499098 442588675 /nfs/dbraw/zinc/58/86/75/442588675.db2.gz DDGSWHOGMILUCG-INIZCTEOSA-N 2 0 346.475 1.718 20 0 EDADRP C[C@@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000180463940 442606135 /nfs/dbraw/zinc/60/61/35/442606135.db2.gz FASKBYQFQGUOEO-HNAYVOBHSA-N 2 0 345.466 1.874 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC000192756021 442684094 /nfs/dbraw/zinc/68/40/94/442684094.db2.gz VTHQINMWIVNCOT-ROUUACIJSA-N 2 0 325.497 1.282 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188068216 442707604 /nfs/dbraw/zinc/70/76/04/442707604.db2.gz SJQAIQVWBHKRJX-GPMSIDNRSA-N 2 0 345.487 1.769 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000187341805 442671106 /nfs/dbraw/zinc/67/11/06/442671106.db2.gz AAMZQVPVDDJBBV-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[N@H+](C)Cc2ccccc2)C1(C)C ZINC000188119032 442713276 /nfs/dbraw/zinc/71/32/76/442713276.db2.gz BPZKCBPIUOIIOG-LPHOPBHVSA-N 2 0 333.476 1.767 20 0 EDADRP C[C@H](CCNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCCCC1 ZINC000181762857 442714868 /nfs/dbraw/zinc/71/48/68/442714868.db2.gz IWACYTVAIQXAAZ-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246489962 442786150 /nfs/dbraw/zinc/78/61/50/442786150.db2.gz WEGFOGGNHONMBM-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000188691067 442789591 /nfs/dbraw/zinc/78/95/91/442789591.db2.gz NPYYTBRONGEFNJ-UAGQMJEPSA-N 2 0 335.423 1.648 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCCC[NH+]3CCCC3)cc2)CC1 ZINC000193602456 442758516 /nfs/dbraw/zinc/75/85/16/442758516.db2.gz XCUWENYSDMIZFR-UHFFFAOYSA-N 2 0 344.503 1.650 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000246377541 442777830 /nfs/dbraw/zinc/77/78/30/442777830.db2.gz RHPJHKPJFOXRPS-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H]1c1cccs1 ZINC000188779745 442811030 /nfs/dbraw/zinc/81/10/30/442811030.db2.gz OEYJJOOAMQHPDN-QVHKTLOISA-N 2 0 325.453 1.947 20 0 EDADRP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246765237 442811079 /nfs/dbraw/zinc/81/10/79/442811079.db2.gz QURXGRLKDZWAAF-HUUCEWRRSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000188990941 442856482 /nfs/dbraw/zinc/85/64/82/442856482.db2.gz AIQCIKCFWHHEPV-PBHICJAKSA-N 2 0 337.414 1.868 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC2CC[NH+](CC3CC3)CC2)ccn1 ZINC000183117169 442882697 /nfs/dbraw/zinc/88/26/97/442882697.db2.gz MLMRBFFEHCLNGZ-UHFFFAOYSA-N 2 0 346.475 1.626 20 0 EDADRP C[NH+](C[C@@H]1CCC[C@H]1O)CC1(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)COC1 ZINC000248416098 442890647 /nfs/dbraw/zinc/89/06/47/442890647.db2.gz INOQEHDYSNMKCI-XLAORIBOSA-N 2 0 340.508 1.189 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000248651803 442912954 /nfs/dbraw/zinc/91/29/54/442912954.db2.gz SXNZHGGJTAGDKH-OWCLPIDISA-N 2 0 340.512 1.658 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOCC(F)F)CC1 ZINC000189364936 442929374 /nfs/dbraw/zinc/92/93/74/442929374.db2.gz CXHBMIBPKFMOSE-UHFFFAOYSA-N 2 0 349.466 1.684 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000268440591 442990369 /nfs/dbraw/zinc/99/03/69/442990369.db2.gz GBKGRVBMWZUYLC-UHFFFAOYSA-N 2 0 339.505 1.775 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H](C)CCN1CC[NH+](C)CC1)CO2 ZINC000296591350 318709823 /nfs/dbraw/zinc/70/98/23/318709823.db2.gz WXADCJGFKJCWEI-WBVHZDCISA-N 2 0 333.476 1.614 20 0 EDADRP OC[C@H]1CCCN(c2cc(N3CC[C@H]([NH+]4CC=CC4)C3)ncn2)C1 ZINC000266281201 443084621 /nfs/dbraw/zinc/08/46/21/443084621.db2.gz UFYMLJNWJCJLBS-HOTGVXAUSA-N 2 0 329.448 1.136 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNS(C)(=O)=O ZINC000268797908 443112010 /nfs/dbraw/zinc/11/20/10/443112010.db2.gz JDPDIRWEMWNOKM-ZBFHGGJFSA-N 2 0 325.478 1.036 20 0 EDADRP CC[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000268797110 443112125 /nfs/dbraw/zinc/11/21/25/443112125.db2.gz ISQDGXUBUADMFE-KRWDZBQOSA-N 3 0 333.480 1.050 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000261901066 443173722 /nfs/dbraw/zinc/17/37/22/443173722.db2.gz WSSUIFCICCFMPM-WBVHZDCISA-N 2 0 330.476 1.243 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000237991271 443192037 /nfs/dbraw/zinc/19/20/37/443192037.db2.gz LCJLKMLLRRAAIL-BEFAXECRSA-N 2 0 343.471 1.491 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc2)CC1 ZINC000236894790 443151064 /nfs/dbraw/zinc/15/10/64/443151064.db2.gz LJXBDDCPNCMOQI-QGZVFWFLSA-N 2 0 332.492 1.932 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000237043235 443156508 /nfs/dbraw/zinc/15/65/08/443156508.db2.gz FLMCCDCAYRUDLR-LJIGWXMPSA-N 2 0 325.497 1.708 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000266780047 443238509 /nfs/dbraw/zinc/23/85/09/443238509.db2.gz SPQWCUGSTPNDTB-QGZVFWFLSA-N 2 0 331.460 1.224 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262513132 443198579 /nfs/dbraw/zinc/19/85/79/443198579.db2.gz DXCOVOLGVSLOPG-BQFCYCMXSA-N 2 0 332.492 1.465 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCCN3C3CC3)n2)CC1 ZINC000350274454 319046458 /nfs/dbraw/zinc/04/64/58/319046458.db2.gz PJZPNYKUJATZTP-HNNXBMFYSA-N 2 0 347.463 1.464 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269240940 443246934 /nfs/dbraw/zinc/24/69/34/443246934.db2.gz JQXXGQZKDDGSRB-INIZCTEOSA-N 2 0 349.500 1.861 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[NH+](Cc2ccccc2)C[C@H]1C ZINC000382658871 319124636 /nfs/dbraw/zinc/12/46/36/319124636.db2.gz NWASONKTARGZTR-QUCCMNQESA-N 2 0 349.519 1.522 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000382763718 319124776 /nfs/dbraw/zinc/12/47/76/319124776.db2.gz OTVQBSBDTOXGNQ-GOSISDBHSA-N 2 0 344.503 1.405 20 0 EDADRP C[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382730398 319124907 /nfs/dbraw/zinc/12/49/07/319124907.db2.gz AIKJFFTZGKSUQF-KRWDZBQOSA-N 2 0 345.487 1.878 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)ccc1C[NH+](C)C ZINC000411244741 319173485 /nfs/dbraw/zinc/17/34/85/319173485.db2.gz NLLHZXZRJQRZAC-MRXNPFEDSA-N 2 0 332.448 1.206 20 0 EDADRP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000411376675 319181076 /nfs/dbraw/zinc/18/10/76/319181076.db2.gz BFBQPADRCTVQFG-SJORKVTESA-N 2 0 337.533 1.901 20 0 EDADRP COC(=O)[C@@H]1C[C@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624593 319190136 /nfs/dbraw/zinc/19/01/36/319190136.db2.gz YISXSNQBGUAGKD-ROUUACIJSA-N 2 0 332.444 1.781 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000414674618 319339648 /nfs/dbraw/zinc/33/96/48/319339648.db2.gz KVKCSRSLQKSNTA-HZPDHXFCSA-N 2 0 346.475 1.768 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](CN2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000414674740 319339888 /nfs/dbraw/zinc/33/98/88/319339888.db2.gz FBUVXOZNTCABJG-GOSISDBHSA-N 2 0 336.524 1.382 20 0 EDADRP Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)c1C ZINC000414682077 319341583 /nfs/dbraw/zinc/34/15/83/319341583.db2.gz XQCCQMRWYDTGNG-MRXNPFEDSA-N 2 0 346.475 1.371 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)cc1 ZINC000415084809 319346403 /nfs/dbraw/zinc/34/64/03/319346403.db2.gz ROAISCHYSZEEAM-UHFFFAOYSA-N 2 0 334.464 1.391 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087895 319346588 /nfs/dbraw/zinc/34/65/88/319346588.db2.gz LFBWXEUKBMFZGU-ZWKOTPCHSA-N 2 0 330.476 1.226 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000415196558 319349217 /nfs/dbraw/zinc/34/92/17/319349217.db2.gz SAPPCVIQLUCUMZ-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000415238582 319355783 /nfs/dbraw/zinc/35/57/83/319355783.db2.gz LZAGKXCSHUMRLO-CQSZACIVSA-N 2 0 349.479 1.648 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+](C2CCC2)C1 ZINC000415269193 319358955 /nfs/dbraw/zinc/35/89/55/319358955.db2.gz OWFATMCGFNTOEZ-AWEZNQCLSA-N 2 0 344.459 1.417 20 0 EDADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000415838912 319377044 /nfs/dbraw/zinc/37/70/44/319377044.db2.gz DOTUOZRJZZXLRO-HOCLYGCPSA-N 2 0 346.475 1.173 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415902009 319383180 /nfs/dbraw/zinc/38/31/80/319383180.db2.gz VQHLYXTWYQQNLW-KRWDZBQOSA-N 2 0 332.448 1.301 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000415962201 319385802 /nfs/dbraw/zinc/38/58/02/319385802.db2.gz WUBYUBLYSSPSIC-HUUCEWRRSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000416168845 319396827 /nfs/dbraw/zinc/39/68/27/319396827.db2.gz ARGSXMDYHMKBDG-LJQANCHMSA-N 2 0 346.519 1.822 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@@H]2C)C1 ZINC000246155063 443273427 /nfs/dbraw/zinc/27/34/27/443273427.db2.gz DJJFEAXYEJENNM-GVDBMIGSSA-N 2 0 340.512 1.325 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269272735 443261743 /nfs/dbraw/zinc/26/17/43/443261743.db2.gz UFIYKIPIYXGPAW-BPQIPLTHSA-N 2 0 331.460 1.392 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000416808160 319461874 /nfs/dbraw/zinc/46/18/74/319461874.db2.gz HTYJTBCQGSBMRO-GXTWGEPZSA-N 2 0 338.452 1.295 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416904331 319470566 /nfs/dbraw/zinc/47/05/66/319470566.db2.gz DMEVTEJROMNWNF-DOTOQJQBSA-N 2 0 334.464 1.821 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000267380789 443437149 /nfs/dbraw/zinc/43/71/49/443437149.db2.gz UYXOIDVNPBUAAK-QGZVFWFLSA-N 2 0 334.464 1.669 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000422543446 319711829 /nfs/dbraw/zinc/71/18/29/319711829.db2.gz RYAWDIOBGYCVIK-UHFFFAOYSA-N 2 0 326.444 1.753 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)C2CC[NH+](C3CC3)CC2)ccc1=O ZINC000278827370 443454546 /nfs/dbraw/zinc/45/45/46/443454546.db2.gz UMQCAUWIDLILHH-UHFFFAOYSA-N 2 0 332.448 1.223 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422956011 319742265 /nfs/dbraw/zinc/74/22/65/319742265.db2.gz ODJZJNUOETXJCZ-QWRGUYRKSA-N 2 0 328.254 1.894 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](CO)c2ccccc2)CC[NH2+]CC1 ZINC000423011668 319745548 /nfs/dbraw/zinc/74/55/48/319745548.db2.gz ZTUDRMBCGNNHJE-RDJZCZTQSA-N 2 0 334.460 1.674 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000423359233 319766322 /nfs/dbraw/zinc/76/63/22/319766322.db2.gz USFDDYBQSYFGFL-IBGZPJMESA-N 2 0 331.460 1.890 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000423388639 319769263 /nfs/dbraw/zinc/76/92/63/319769263.db2.gz UIOMNGCNCFJCAW-CRAIPNDOSA-N 2 0 333.476 1.674 20 0 EDADRP CCC[C@H](O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265188366 443563095 /nfs/dbraw/zinc/56/30/95/443563095.db2.gz ZJSSOXXWSZOHRY-KRWDZBQOSA-N 2 0 349.479 1.054 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000425558249 319850900 /nfs/dbraw/zinc/85/09/00/319850900.db2.gz DKWBBBNZSGLLKB-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430566653 319935218 /nfs/dbraw/zinc/93/52/18/319935218.db2.gz HOWRPVMMCXBXPT-MRXNPFEDSA-N 2 0 333.476 1.830 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272350134 443600309 /nfs/dbraw/zinc/60/03/09/443600309.db2.gz ADYSIRXPRLSUID-HXUWFJFHSA-N 2 0 330.520 1.830 20 0 EDADRP C[C@H]([NH2+]CCCNS(C)(=O)=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385459 443609452 /nfs/dbraw/zinc/60/94/52/443609452.db2.gz CEMZRMXWDGLNHD-RDJZCZTQSA-N 2 0 339.505 1.426 20 0 EDADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000286108018 443647422 /nfs/dbraw/zinc/64/74/22/443647422.db2.gz NMXRHQRFPUUDBQ-STQMWFEESA-N 2 0 325.478 1.821 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000286188003 443664765 /nfs/dbraw/zinc/66/47/65/443664765.db2.gz RQCUKBMUAOBPOI-ZIAGYGMSSA-N 2 0 325.403 1.982 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457617646 320331465 /nfs/dbraw/zinc/33/14/65/320331465.db2.gz IANMEGBZXURZIS-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCC[C@H]1C ZINC000457700086 320332375 /nfs/dbraw/zinc/33/23/75/320332375.db2.gz GYCWTEGPEVQFBM-ZACQAIPSSA-N 2 0 340.512 1.395 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000519632273 320469572 /nfs/dbraw/zinc/46/95/72/320469572.db2.gz HJDJAEYMZSWYML-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CCCNC(=O)CCC[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000298340397 443749904 /nfs/dbraw/zinc/74/99/04/443749904.db2.gz BJINDUJXAPSLBT-HNNXBMFYSA-N 2 0 334.464 1.907 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccoc1 ZINC000285011860 443821186 /nfs/dbraw/zinc/82/11/86/443821186.db2.gz AEVRWCRPIAQILG-AWEZNQCLSA-N 2 0 329.466 1.316 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000541816317 320777517 /nfs/dbraw/zinc/77/75/17/320777517.db2.gz JUQIFCJUGQDTRU-UHFFFAOYSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccn(C)c1 ZINC000277161345 443923681 /nfs/dbraw/zinc/92/36/81/443923681.db2.gz XBROUTKPVBULKA-GFOMBABLSA-N 2 0 332.492 1.913 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299307396 444013269 /nfs/dbraw/zinc/01/32/69/444013269.db2.gz DSCILAITIPZIEC-UHFFFAOYSA-N 2 0 332.492 1.390 20 0 EDADRP CCCN1CC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277723918 444032369 /nfs/dbraw/zinc/03/23/69/444032369.db2.gz IIEKRBTUBVLIFV-UHFFFAOYSA-N 2 0 345.447 1.268 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000293562565 444056038 /nfs/dbraw/zinc/05/60/38/444056038.db2.gz XLMMVGFPPMATTK-QGZVFWFLSA-N 2 0 332.492 1.832 20 0 EDADRP C[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000562293965 321050292 /nfs/dbraw/zinc/05/02/92/321050292.db2.gz PSIQMNKFYIXPBY-ROUUACIJSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCN1CCO ZINC000562772873 321076163 /nfs/dbraw/zinc/07/61/63/321076163.db2.gz ATOIBPLCKADVLM-GFCCVEGCSA-N 2 0 336.411 1.002 20 0 EDADRP Cc1ccc2c(CC[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)c[nH]c2c1 ZINC000562985634 321084749 /nfs/dbraw/zinc/08/47/49/321084749.db2.gz BUPLYCJBYAFKBX-QGZVFWFLSA-N 2 0 330.476 1.217 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563091933 321094831 /nfs/dbraw/zinc/09/48/31/321094831.db2.gz GQXJAEMXTOZOBX-JZXOWHBKSA-N 2 0 347.507 1.400 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000563213143 321100747 /nfs/dbraw/zinc/10/07/47/321100747.db2.gz QICHWWNYRMICQM-UHFFFAOYSA-N 2 0 325.416 1.544 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000563886027 321114591 /nfs/dbraw/zinc/11/45/91/321114591.db2.gz ZYVAIZPVYVSPQL-SJORKVTESA-N 2 0 346.475 1.170 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2([NH3+])CCC2)cc1OC ZINC000564914482 321156628 /nfs/dbraw/zinc/15/66/28/321156628.db2.gz CXTOWLWYWITROW-UHFFFAOYSA-N 2 0 349.475 1.913 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565184015 321174422 /nfs/dbraw/zinc/17/44/22/321174422.db2.gz ZQCZCCAQMMYBKD-MRXNPFEDSA-N 2 0 335.496 1.829 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000565416479 321185675 /nfs/dbraw/zinc/18/56/75/321185675.db2.gz RYXREMPTOLRWEW-BORJPKMPSA-N 2 0 349.500 1.689 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000565539153 321190196 /nfs/dbraw/zinc/19/01/96/321190196.db2.gz VVVJSIALXYLAGL-CQSZACIVSA-N 2 0 340.512 1.117 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565881133 321204667 /nfs/dbraw/zinc/20/46/67/321204667.db2.gz BVYWGRUCHGOCRX-KRWDZBQOSA-N 2 0 326.485 1.130 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CCC[NH+](C)C)ccc1C[NH+](C)C ZINC000567466621 321242537 /nfs/dbraw/zinc/24/25/37/321242537.db2.gz IIXRYNAEWNIQRR-UHFFFAOYSA-N 2 0 334.464 1.405 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NCC(=O)N2CC[NH2+]CC2)cc1)C(C)C ZINC000567835322 321260459 /nfs/dbraw/zinc/26/04/59/321260459.db2.gz JAZNCSROLXMGKM-UHFFFAOYSA-N 2 0 346.475 1.079 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000567895654 321266908 /nfs/dbraw/zinc/26/69/08/321266908.db2.gz STNGUXDGFYPJHB-MOPGFXCFSA-N 3 0 338.540 1.231 20 0 EDADRP C[C@@H](C(=O)NCc1cccs1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289458542 444149795 /nfs/dbraw/zinc/14/97/95/444149795.db2.gz PWLBAEPURCBZHO-HNNXBMFYSA-N 2 0 340.537 1.568 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000301444121 444172112 /nfs/dbraw/zinc/17/21/12/444172112.db2.gz JLMOKEOFVDJVIE-HZPDHXFCSA-N 2 0 333.480 1.748 20 0 EDADRP CC(C)C[C@@H](CNc1cc(-n2cccn2)nc(N)n1)[NH+]1CCOCC1 ZINC000301629018 444182864 /nfs/dbraw/zinc/18/28/64/444182864.db2.gz HXVMCLYZDBCQRO-AWEZNQCLSA-N 2 0 345.451 1.403 20 0 EDADRP O=C(CN1[C@@H]2CC[C@H]1CC(=O)C2)N1CCN(Cc2ccccc2)CC1 ZINC000289646843 444185916 /nfs/dbraw/zinc/18/59/16/444185916.db2.gz XDRUAWKDHXFVKX-HDICACEKSA-N 2 0 341.455 1.527 20 0 EDADRP c1nc(NC2CC[NH+](C[C@@H]3CCOC3)CC2)cc(N2CCOCC2)n1 ZINC000302920024 444232034 /nfs/dbraw/zinc/23/20/34/444232034.db2.gz YVWDFZQLYCGKQI-HNNXBMFYSA-N 2 0 347.463 1.226 20 0 EDADRP COC(=O)COC[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000296520947 444236434 /nfs/dbraw/zinc/23/64/34/444236434.db2.gz SCEJCFHEHOTYIJ-MRXNPFEDSA-N 2 0 349.475 1.102 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C[C@H](C)O ZINC000297569648 444302895 /nfs/dbraw/zinc/30/28/95/444302895.db2.gz QLVNRMOIPBVAML-HOCLYGCPSA-N 2 0 345.447 1.321 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCSC1 ZINC000339980050 444347114 /nfs/dbraw/zinc/34/71/14/444347114.db2.gz ZPCHVWPIQNZJAC-ZBFHGGJFSA-N 2 0 341.521 1.041 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000578507437 321786153 /nfs/dbraw/zinc/78/61/53/321786153.db2.gz QQRNQQWPAGOQNG-GJZGRUSLSA-N 2 0 346.475 1.141 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)oc(=O)n4C)C2)CC1 ZINC000340564116 444439998 /nfs/dbraw/zinc/43/99/98/444439998.db2.gz UNAMKIULJSOQBG-INIZCTEOSA-N 2 0 344.459 1.343 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)[C@@H](C)C1 ZINC000331939265 444492142 /nfs/dbraw/zinc/49/21/42/444492142.db2.gz DZYVTFWFZKZGOQ-VGDUNAEUSA-N 2 0 347.507 1.568 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+](C)C(C)C)CC2)CC1 ZINC000580462855 322055191 /nfs/dbraw/zinc/05/51/91/322055191.db2.gz ANSVELVBHDZHNZ-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000580647875 322078225 /nfs/dbraw/zinc/07/82/25/322078225.db2.gz ZHFHUJNZFIVRHP-GJZGRUSLSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581001235 322122670 /nfs/dbraw/zinc/12/26/70/322122670.db2.gz HNPUOOKLQPDZEV-NJAFHUGGSA-N 2 0 345.491 1.106 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000581081993 322134311 /nfs/dbraw/zinc/13/43/11/322134311.db2.gz AXTWCFUPTMGWFS-RDJZCZTQSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581241362 322153030 /nfs/dbraw/zinc/15/30/30/322153030.db2.gz JQYRYLFFNNIWME-GJZGRUSLSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000581381595 322171512 /nfs/dbraw/zinc/17/15/12/322171512.db2.gz NPJARAAXFUSPQM-OAHLLOKOSA-N 2 0 332.448 1.320 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000581602695 322197434 /nfs/dbraw/zinc/19/74/34/322197434.db2.gz LFZDPQLLBKNTTI-GOSISDBHSA-N 2 0 335.492 1.350 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)cc1 ZINC000581665963 322206182 /nfs/dbraw/zinc/20/61/82/322206182.db2.gz QJWXCHOSQWYCAN-UHFFFAOYSA-N 2 0 327.432 1.519 20 0 EDADRP O=S(=O)(NC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000581716803 322212810 /nfs/dbraw/zinc/21/28/10/322212810.db2.gz YBBRUFFPRVWODZ-HNNXBMFYSA-N 2 0 337.489 1.429 20 0 EDADRP CCN(CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1C ZINC000581997831 322242819 /nfs/dbraw/zinc/24/28/19/322242819.db2.gz CNOIOPPRYLKBPY-GOSISDBHSA-N 2 0 334.508 1.019 20 0 EDADRP CS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000332596359 444521473 /nfs/dbraw/zinc/52/14/73/444521473.db2.gz HVNGCYPKWPLMDE-KLHDSHLOSA-N 2 0 329.510 1.311 20 0 EDADRP CC(C)COC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343707947 444534695 /nfs/dbraw/zinc/53/46/95/444534695.db2.gz CAPJPEOVQJBDRR-AEFFLSMTSA-N 2 0 327.513 1.120 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000332852820 444573276 /nfs/dbraw/zinc/57/32/76/444573276.db2.gz XONVBVNTGYFFDH-IKGGRYGDSA-N 2 0 338.496 1.148 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343773781 444581355 /nfs/dbraw/zinc/58/13/55/444581355.db2.gz CCWUZCIZFVNMTN-NPYXIHBLSA-N 2 0 335.492 1.572 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]CC2CC[NH+](CCO)CC2)nn1 ZINC000342178970 444550572 /nfs/dbraw/zinc/55/05/72/444550572.db2.gz VCURNMMRHNSSOP-UHFFFAOYSA-N 2 0 329.448 1.370 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000341009034 444628556 /nfs/dbraw/zinc/62/85/56/444628556.db2.gz DTHOQFWYUAETAG-BPQIPLTHSA-N 2 0 332.492 1.941 20 0 EDADRP CC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)CCC[NH2+]1 ZINC000343794935 444595824 /nfs/dbraw/zinc/59/58/24/444595824.db2.gz TUWNWNNFFYSVHB-IBGZPJMESA-N 2 0 336.524 1.585 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343797169 444598241 /nfs/dbraw/zinc/59/82/41/444598241.db2.gz LJRVOQPNPXUANH-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343894620 444651449 /nfs/dbraw/zinc/65/14/49/444651449.db2.gz VEGKGVVATJPCFD-HZPDHXFCSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000342349064 444646678 /nfs/dbraw/zinc/64/66/78/444646678.db2.gz QKRSJIOTSUPBGW-YJBOKZPZSA-N 2 0 345.491 1.638 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333847632 444703238 /nfs/dbraw/zinc/70/32/38/444703238.db2.gz MTBRGBIEZJSJOA-HNNXBMFYSA-N 2 0 334.464 1.315 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000333926221 444720404 /nfs/dbraw/zinc/72/04/04/444720404.db2.gz VGKABDOXTOFQHZ-MDMSPXHWSA-N 2 0 328.460 1.511 20 0 EDADRP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000333587477 444683440 /nfs/dbraw/zinc/68/34/40/444683440.db2.gz OEHOLWTUHZZKBL-GJZGRUSLSA-N 2 0 336.480 1.023 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549520 444740701 /nfs/dbraw/zinc/74/07/01/444740701.db2.gz WFSMBROGYNHIKH-SUMWQHHRSA-N 2 0 348.491 1.817 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+](CC)CC)C[C@H]1CC ZINC000342647898 444795151 /nfs/dbraw/zinc/79/51/51/444795151.db2.gz FHAIDJFDHCFRGE-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000342695789 444819695 /nfs/dbraw/zinc/81/96/95/444819695.db2.gz QADSAUXYWBTWDD-KKUMJFAQSA-N 2 0 327.469 1.141 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[N@@H+]1C ZINC000341444271 444835327 /nfs/dbraw/zinc/83/53/27/444835327.db2.gz ZBSCLZOOJZJOQS-GOEBONIOSA-N 2 0 349.479 1.304 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000341559290 444894616 /nfs/dbraw/zinc/89/46/16/444894616.db2.gz FTLSZEDDRIKLDF-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341668057 444940874 /nfs/dbraw/zinc/94/08/74/444940874.db2.gz VGDSUUDCTFGGSR-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP Cc1nccc(N2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)n1 ZINC000339088457 445026284 /nfs/dbraw/zinc/02/62/84/445026284.db2.gz PKKMIVONBWMECF-KRWDZBQOSA-N 2 0 330.407 1.650 20 0 EDADRP CC[C@H](O)C[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000339015156 444986217 /nfs/dbraw/zinc/98/62/17/444986217.db2.gz YUVHNJQXTMIYBL-IBGZPJMESA-N 2 0 347.503 1.718 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000341888023 445054048 /nfs/dbraw/zinc/05/40/48/445054048.db2.gz OMYRXEHDVHBJIK-JFIYKMOQSA-N 2 0 335.492 1.430 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000341899679 445060837 /nfs/dbraw/zinc/06/08/37/445060837.db2.gz JDVJFQLYZXFBHW-OWSLCNJRSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000341918936 445072043 /nfs/dbraw/zinc/07/20/43/445072043.db2.gz GRMJILZQMHRBPB-BPQIPLTHSA-N 2 0 346.475 1.231 20 0 EDADRP C[C@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC[N@@H+](C2CCC2)C1 ZINC000344742267 445139285 /nfs/dbraw/zinc/13/92/85/445139285.db2.gz PBTRCAMLMUPNBO-APWZRJJASA-N 2 0 349.519 1.820 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@]12CCOC2)c1ccccc1 ZINC000341962192 445097614 /nfs/dbraw/zinc/09/76/14/445097614.db2.gz HBUZAAGJFDURMB-HKUYNNGSSA-N 2 0 331.460 1.660 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000337499428 445105905 /nfs/dbraw/zinc/10/59/05/445105905.db2.gz BIONGIMHHJXWLM-MSOLQXFVSA-N 2 0 344.503 1.785 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1)C(C)C ZINC000339919833 445182964 /nfs/dbraw/zinc/18/29/64/445182964.db2.gz GKRACAOHHGGFPK-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1)C(C)C ZINC000342069849 445155746 /nfs/dbraw/zinc/15/57/46/445155746.db2.gz YNWQIPJCDHEOJB-HNNXBMFYSA-N 2 0 340.512 1.163 20 0 EDADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000346084262 445205848 /nfs/dbraw/zinc/20/58/48/445205848.db2.gz CMHPFSJESFSQOO-GDBMZVCRSA-N 2 0 347.459 1.696 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000343374839 445212206 /nfs/dbraw/zinc/21/22/06/445212206.db2.gz UTAVDZALGDGXGV-LZLYRXPVSA-N 2 0 336.480 1.324 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCSC1 ZINC000343398486 445215915 /nfs/dbraw/zinc/21/59/15/445215915.db2.gz JUVAVXREUHRCQR-QGZVFWFLSA-N 2 0 348.516 1.600 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)c1=O ZINC000343410804 445217741 /nfs/dbraw/zinc/21/77/41/445217741.db2.gz SDOGHKQJSSHLDI-SJORKVTESA-N 2 0 345.491 1.448 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C1 ZINC000347563787 445242435 /nfs/dbraw/zinc/24/24/35/445242435.db2.gz NTPOPGRISFMLDS-GVDBMIGSSA-N 2 0 340.512 1.325 20 0 EDADRP COc1nc(C)ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000347617974 445243716 /nfs/dbraw/zinc/24/37/16/445243716.db2.gz VIKXSPHAWWLSGG-UHFFFAOYSA-N 2 0 336.480 1.744 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347702293 445245233 /nfs/dbraw/zinc/24/52/33/445245233.db2.gz MIYBQLQGPHCSBL-BBWFWOEESA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSCC[C@H]2C)C1 ZINC000348187995 445310494 /nfs/dbraw/zinc/31/04/94/445310494.db2.gz QVPWXODBKAUGFQ-HZPDHXFCSA-N 2 0 343.537 1.287 20 0 EDADRP OCC[C@H]1CCC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2CCO)COC1 ZINC000348145038 445288707 /nfs/dbraw/zinc/28/87/07/445288707.db2.gz BZSQKOMFTFCONH-USTZCAOPSA-N 2 0 340.508 1.284 20 0 EDADRP Cc1nc2c(n1[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1)CCCC2 ZINC000351824701 445334543 /nfs/dbraw/zinc/33/45/43/445334543.db2.gz SEPQWLUBQBDOJV-CQSZACIVSA-N 2 0 340.493 1.209 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000356983933 445360384 /nfs/dbraw/zinc/36/03/84/445360384.db2.gz QXXGVDGXFDTJLR-SFHVURJKSA-N 2 0 339.524 1.924 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1cnn(CC(F)F)c1 ZINC000351807057 445328121 /nfs/dbraw/zinc/32/81/21/445328121.db2.gz GQMRELZIQIPCKR-KFWWJZLASA-N 2 0 328.407 1.832 20 0 EDADRP CC[C@@H]1CC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)O1 ZINC000362506728 445416809 /nfs/dbraw/zinc/41/68/09/445416809.db2.gz NISLXNNZMXKMEQ-BBWFWOEESA-N 2 0 325.497 1.819 20 0 EDADRP O=C(CN1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(N2CCCC2=O)c1 ZINC000357091566 445422452 /nfs/dbraw/zinc/42/24/52/445422452.db2.gz SDHSWLQRAYLDKD-LSDHHAIUSA-N 2 0 342.443 1.293 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357059294 445400389 /nfs/dbraw/zinc/40/03/89/445400389.db2.gz WUHZDYISGNWBFC-KRWDZBQOSA-N 2 0 348.491 1.885 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362554605 445436836 /nfs/dbraw/zinc/43/68/36/445436836.db2.gz YXCUGMCJWCSPJY-KGLIPLIRSA-N 2 0 333.480 1.727 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000348947567 445451319 /nfs/dbraw/zinc/45/13/19/445451319.db2.gz JPLIMWGEYRSCRQ-UHFFFAOYSA-N 2 0 338.540 1.786 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(Cl)cnn1C ZINC000349036242 445483784 /nfs/dbraw/zinc/48/37/84/445483784.db2.gz ODCHFWQITYDKQP-AWEZNQCLSA-N 2 0 327.904 1.921 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000349082044 445498922 /nfs/dbraw/zinc/49/89/22/445498922.db2.gz LCFGVGOLWNVTIS-INIZCTEOSA-N 2 0 325.497 1.414 20 0 EDADRP O=C1CNCCN1[C@@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000362697676 445505162 /nfs/dbraw/zinc/50/51/62/445505162.db2.gz LEPJIGVOJZAUAJ-GOSISDBHSA-N 2 0 339.443 1.269 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362807067 445558490 /nfs/dbraw/zinc/55/84/90/445558490.db2.gz FSZFOIYFAOBKAQ-IAGOWNOFSA-N 2 0 345.491 1.802 20 0 EDADRP C[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356046216 445589338 /nfs/dbraw/zinc/58/93/38/445589338.db2.gz MQOGLKWUGMLBDT-LZLYRXPVSA-N 2 0 333.476 1.420 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)CC1 ZINC000362843845 445577263 /nfs/dbraw/zinc/57/72/63/445577263.db2.gz RKDQLNLFVJHLHV-KRWDZBQOSA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC000362857135 445582850 /nfs/dbraw/zinc/58/28/50/445582850.db2.gz VFULIDDFNUQHMM-HNNXBMFYSA-N 2 0 326.485 1.079 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353433199 445599582 /nfs/dbraw/zinc/59/95/82/445599582.db2.gz PEIBTLNZENSGPY-ROUUACIJSA-N 2 0 338.540 1.782 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353439027 445602661 /nfs/dbraw/zinc/60/26/61/445602661.db2.gz CYFHCUAXNOTMMW-USXIJHARSA-N 2 0 325.497 1.172 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000349526276 445605371 /nfs/dbraw/zinc/60/53/71/445605371.db2.gz QAIHISLZDWVPSY-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000358479405 445621742 /nfs/dbraw/zinc/62/17/42/445621742.db2.gz MNSROJKYLSEYON-UHFFFAOYSA-N 2 0 330.542 1.845 20 0 EDADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515642 445627289 /nfs/dbraw/zinc/62/72/89/445627289.db2.gz MYQYJSVGLDBNCP-UHFFFAOYSA-N 2 0 331.460 1.566 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000358518809 445629600 /nfs/dbraw/zinc/62/96/00/445629600.db2.gz DXZXSKLBFVDTHA-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521996 445631139 /nfs/dbraw/zinc/63/11/39/445631139.db2.gz ZGFAJNYXQWLEST-OAHLLOKOSA-N 2 0 344.459 1.476 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3cnn(CC(F)F)c3)CC2)CC1 ZINC000353506641 445633746 /nfs/dbraw/zinc/63/37/46/445633746.db2.gz YUTUNMVGPJGJLW-UHFFFAOYSA-N 2 0 341.450 1.608 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000353425850 445595836 /nfs/dbraw/zinc/59/58/36/445595836.db2.gz HYVJPMWWWJLNPU-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000358580317 445660551 /nfs/dbraw/zinc/66/05/51/445660551.db2.gz MSLWDVAALPSABG-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1)N(C)C ZINC000349780675 445676017 /nfs/dbraw/zinc/67/60/17/445676017.db2.gz XIHGJVFOAYFQIZ-RDJZCZTQSA-N 2 0 346.475 1.788 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356224645 445684649 /nfs/dbraw/zinc/68/46/49/445684649.db2.gz NUTDUMGEXVCQTP-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCN2Cc2ccccc2)CC1 ZINC000363119032 445685326 /nfs/dbraw/zinc/68/53/26/445685326.db2.gz GLFJXMHXKPGTDJ-GOSISDBHSA-N 2 0 330.476 1.015 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206529 445720775 /nfs/dbraw/zinc/72/07/75/445720775.db2.gz LFKUPIBGSQHACJ-MRXNPFEDSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCC1CC[NH+](C)CC1 ZINC000358694584 445721737 /nfs/dbraw/zinc/72/17/37/445721737.db2.gz SXAXWKBCSPORKB-UHFFFAOYSA-N 2 0 349.479 1.163 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358698500 445725130 /nfs/dbraw/zinc/72/51/30/445725130.db2.gz XCSWHUNIUVLXEZ-DOTOQJQBSA-N 2 0 326.485 1.007 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360982475 445742501 /nfs/dbraw/zinc/74/25/01/445742501.db2.gz CPQUJFQEOBTHGA-QGTPRVQTSA-N 2 0 332.492 1.739 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000350005255 445747316 /nfs/dbraw/zinc/74/73/16/445747316.db2.gz QKKXELXRNFFYIY-UHFFFAOYSA-N 2 0 347.507 1.442 20 0 EDADRP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353944228 445822244 /nfs/dbraw/zinc/82/22/44/445822244.db2.gz QUASFJNKOKVEBV-KJFZJZGVSA-N 2 0 340.537 1.690 20 0 EDADRP C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356459288 445801710 /nfs/dbraw/zinc/80/17/10/445801710.db2.gz OARQOGFFROTOLH-OAGGEKHMSA-N 2 0 348.491 1.900 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000358860753 445816336 /nfs/dbraw/zinc/81/63/36/445816336.db2.gz RDWPOQKTCSVFHV-UHFFFAOYSA-N 2 0 347.444 1.057 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000356519908 445837684 /nfs/dbraw/zinc/83/76/84/445837684.db2.gz HIVFIFVGFZTFJI-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2ccncn2)CC1 ZINC000358948758 445861156 /nfs/dbraw/zinc/86/11/56/445861156.db2.gz UPYTXIBTXHGWDJ-LJQANCHMSA-N 2 0 325.460 1.793 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1c[nH+]ccc1N(C)C ZINC000356576207 445867244 /nfs/dbraw/zinc/86/72/44/445867244.db2.gz JBPFEBAIVWDXRV-UHFFFAOYSA-N 2 0 347.507 1.637 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000359085910 445934263 /nfs/dbraw/zinc/93/42/63/445934263.db2.gz BWSIQTIRDPGKKT-HKUYNNGSSA-N 2 0 344.503 1.403 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000350732454 445891986 /nfs/dbraw/zinc/89/19/86/445891986.db2.gz OCKLESHRLLQEML-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP Cc1c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000361711795 445892977 /nfs/dbraw/zinc/89/29/77/445892977.db2.gz VJBXUMADHXNOSP-CZUORRHYSA-N 2 0 346.479 1.210 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000356626889 445895742 /nfs/dbraw/zinc/89/57/42/445895742.db2.gz FUFJAAGQJNLBNS-IYBDPMFKSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372901830 445911573 /nfs/dbraw/zinc/91/15/73/445911573.db2.gz JNIRSPXEZUREMJ-XJKSGUPXSA-N 2 0 343.406 1.070 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000582410141 325840669 /nfs/dbraw/zinc/84/06/69/325840669.db2.gz FTMZKSZYLPHXIJ-UHFFFAOYSA-N 2 0 328.501 1.563 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372999679 445968235 /nfs/dbraw/zinc/96/82/35/445968235.db2.gz NPEQMFHYPYJNNK-VMWRSERWSA-N 2 0 335.492 1.763 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000373011857 445975192 /nfs/dbraw/zinc/97/51/92/445975192.db2.gz WTQQBECKYCMTAP-GVDBMIGSSA-N 2 0 336.480 1.166 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000361790680 445948993 /nfs/dbraw/zinc/94/89/93/445948993.db2.gz VPZZWBWTYAKURL-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP COCC[C@]1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000373091809 446021701 /nfs/dbraw/zinc/02/17/01/446021701.db2.gz XUFWNQRPQRAMNJ-LJQANCHMSA-N 2 0 331.460 1.177 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Oc3ccncc3)C2)CC1 ZINC000351332621 446034403 /nfs/dbraw/zinc/03/44/03/446034403.db2.gz UBLLWBYWFCAFKS-LJQANCHMSA-N 2 0 332.492 1.951 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CN2CCOCC2)[C@@H](C)C1 ZINC000361893761 446046754 /nfs/dbraw/zinc/04/67/54/446046754.db2.gz ROKYCTSINSWVPN-FHWLQOOXSA-N 2 0 341.540 1.681 20 0 EDADRP CC[NH+](CC)CC(=O)NC1CCN(c2nc3ccccc3[nH]2)CC1 ZINC000369288962 446050987 /nfs/dbraw/zinc/05/09/87/446050987.db2.gz VXKDMBUZICWGRF-UHFFFAOYSA-N 2 0 329.448 1.990 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000583371016 326059680 /nfs/dbraw/zinc/05/96/80/326059680.db2.gz PMEMLBSZBNZADQ-RYQLBKOJSA-N 2 0 330.476 1.855 20 0 EDADRP CO[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@H](C[NH3+])C1 ZINC000359219295 446049969 /nfs/dbraw/zinc/04/99/69/446049969.db2.gz PLLSKHUXXCCMNQ-ROUUACIJSA-N 2 0 340.427 1.825 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603401 326101647 /nfs/dbraw/zinc/10/16/47/326101647.db2.gz BEPSYQHNJPGEQT-STQMWFEESA-N 2 0 332.370 1.896 20 0 EDADRP CC[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1cccc(F)c1 ZINC000583626541 326106051 /nfs/dbraw/zinc/10/60/51/326106051.db2.gz WAHNNIOFOGNUBR-IAGOWNOFSA-N 2 0 339.455 1.181 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000583802067 326142048 /nfs/dbraw/zinc/14/20/48/326142048.db2.gz QLIHRZOMVHAKNK-ZJPYXAASSA-N 2 0 330.476 1.914 20 0 EDADRP C[NH+](Cc1cncc(C[N@@H+](C)CC(C)(C)CO)c1)CC(C)(C)CO ZINC000583913098 326163686 /nfs/dbraw/zinc/16/36/86/326163686.db2.gz KJWJOSRIERYWKT-UHFFFAOYSA-N 2 0 337.508 1.982 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354354895 446138655 /nfs/dbraw/zinc/13/86/55/446138655.db2.gz ZDZGZOBMVVLLGR-VSZNYVQBSA-N 2 0 339.524 1.827 20 0 EDADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000359308955 446139700 /nfs/dbraw/zinc/13/97/00/446139700.db2.gz QMINYXVQOPYSGF-KDURUIRLSA-N 2 0 342.487 1.050 20 0 EDADRP COCCSCCC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000373248131 446122137 /nfs/dbraw/zinc/12/21/37/446122137.db2.gz WLANTENKSIIART-KRWDZBQOSA-N 2 0 329.554 1.716 20 0 EDADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359368360 446177471 /nfs/dbraw/zinc/17/74/71/446177471.db2.gz SEOJHXUPSNBVET-DLBZAZTESA-N 2 0 328.460 1.797 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000356945290 446146812 /nfs/dbraw/zinc/14/68/12/446146812.db2.gz WDHDQOKOHPOYSP-GJZGRUSLSA-N 2 0 327.513 1.704 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C(C)(C)C3CCOCC3)C2)CC1 ZINC000373525733 446248039 /nfs/dbraw/zinc/24/80/39/446248039.db2.gz ADRQSZFOISXPBY-MRXNPFEDSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000373562580 446262098 /nfs/dbraw/zinc/26/20/98/446262098.db2.gz UTGJWJBQYYKMCL-QBYUYEEZSA-N 2 0 333.480 1.307 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000362252552 446287088 /nfs/dbraw/zinc/28/70/88/446287088.db2.gz BACFGBPCHVRXAP-KRWDZBQOSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417337869 446346831 /nfs/dbraw/zinc/34/68/31/446346831.db2.gz JLOGRGIDEFYEEW-KYJSFNMBSA-N 2 0 330.476 1.860 20 0 EDADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000362315698 446316749 /nfs/dbraw/zinc/31/67/49/446316749.db2.gz DEHJHONTCADAQQ-IBGZPJMESA-N 2 0 342.487 1.653 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417337871 446347470 /nfs/dbraw/zinc/34/74/70/446347470.db2.gz JLOGRGIDEFYEEW-UWWQBHOKSA-N 2 0 330.476 1.860 20 0 EDADRP C[NH+](C)CC1(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000376137526 446349764 /nfs/dbraw/zinc/34/97/64/446349764.db2.gz XPAAUQIZZSVXRG-UHFFFAOYSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601613 446351637 /nfs/dbraw/zinc/35/16/37/446351637.db2.gz KMOUHEUIANOXJI-ZWKOTPCHSA-N 2 0 341.459 1.966 20 0 EDADRP CS[C@H]1CN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000370614185 446359013 /nfs/dbraw/zinc/35/90/13/446359013.db2.gz LKMAXQIDBAAIHU-SJORKVTESA-N 2 0 347.528 1.590 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417593415 446366474 /nfs/dbraw/zinc/36/64/74/446366474.db2.gz ZSEYFFKCTPPJKF-AWEZNQCLSA-N 2 0 326.485 1.447 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000417824644 446374338 /nfs/dbraw/zinc/37/43/38/446374338.db2.gz BHJNWOHPXYBDCH-NUEKZKHPSA-N 2 0 339.480 1.715 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC000417891142 446376216 /nfs/dbraw/zinc/37/62/16/446376216.db2.gz QNVSZEHYHHMPIH-KBPBESRZSA-N 2 0 332.439 1.508 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417912891 446383807 /nfs/dbraw/zinc/38/38/07/446383807.db2.gz PETLMJGKOJTGCI-AEFFLSMTSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])ccn1 ZINC000417941025 446393402 /nfs/dbraw/zinc/39/34/02/446393402.db2.gz ADUOZKYFEMCUOU-CVEARBPZSA-N 2 0 349.479 1.339 20 0 EDADRP C[C@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000417952924 446398411 /nfs/dbraw/zinc/39/84/11/446398411.db2.gz OWDNSWJDANMYQC-GOEBONIOSA-N 2 0 349.479 1.209 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000417362887 446348964 /nfs/dbraw/zinc/34/89/64/446348964.db2.gz LJTYQBCJRQRRTD-ZBFHGGJFSA-N 2 0 334.464 1.554 20 0 EDADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)Cc2ccccc2C1 ZINC000370770623 446428317 /nfs/dbraw/zinc/42/83/17/446428317.db2.gz DQMIXTXJAUIBDX-OKZBNKHCSA-N 2 0 325.456 1.425 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000418186399 446452505 /nfs/dbraw/zinc/45/25/05/446452505.db2.gz RUWVMNQLEWFWLB-WMZOPIPTSA-N 2 0 347.507 1.191 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000418081894 446434606 /nfs/dbraw/zinc/43/46/06/446434606.db2.gz WCSWWPAOHRJGBD-DOTOQJQBSA-N 2 0 348.516 1.607 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418112836 446440400 /nfs/dbraw/zinc/44/04/00/446440400.db2.gz ZFKIZLLGZZPQGE-SQNIBIBYSA-N 2 0 330.476 1.935 20 0 EDADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418175293 446446774 /nfs/dbraw/zinc/44/67/74/446446774.db2.gz SORDMWDUGHVODZ-CALCHBBNSA-N 2 0 334.508 1.894 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000420285672 446451288 /nfs/dbraw/zinc/45/12/88/446451288.db2.gz FLWOMBCAHUJCKA-KRWDZBQOSA-N 2 0 332.492 1.308 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])[C@@H]1c1ccccc1 ZINC000418184342 446451362 /nfs/dbraw/zinc/45/13/62/446451362.db2.gz PTWKJWWNECQWKZ-NJAFHUGGSA-N 2 0 348.491 1.875 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000417988741 446409127 /nfs/dbraw/zinc/40/91/27/446409127.db2.gz IRSCHTNFBCFCJH-OLMNPRSZSA-N 2 0 346.475 1.193 20 0 EDADRP C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417988731 446409153 /nfs/dbraw/zinc/40/91/53/446409153.db2.gz HTTCEKHIUPLGCD-YSHGAJCASA-N 2 0 342.487 1.900 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417994634 446410497 /nfs/dbraw/zinc/41/04/97/446410497.db2.gz OYLSWFGILRYUKM-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@H](NC(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006683 446413590 /nfs/dbraw/zinc/41/35/90/446413590.db2.gz MOPBJNXEXNCDDP-SOLBZPMBSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000418016369 446416758 /nfs/dbraw/zinc/41/67/58/446416758.db2.gz QZINCVLXBNSZQP-BVIKNXMNSA-N 2 0 330.476 1.899 20 0 EDADRP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420297144 446459866 /nfs/dbraw/zinc/45/98/66/446459866.db2.gz FOOZENNTELQBRW-QYZOEREBSA-N 2 0 347.503 1.546 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000420299077 446461033 /nfs/dbraw/zinc/46/10/33/446461033.db2.gz GFSSLIWTQBYIAR-QZTJIDSGSA-N 2 0 345.487 1.976 20 0 EDADRP C[C@@H]1Oc2ccc(C(=O)C3CCN(CCC[NH3+])CC3)cc2NC1=O ZINC000420299488 446461157 /nfs/dbraw/zinc/46/11/57/446461157.db2.gz IUABSSXYZINCEJ-LBPRGKRZSA-N 2 0 331.416 1.650 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423243510 446463469 /nfs/dbraw/zinc/46/34/69/446463469.db2.gz GIPXPJWKHNKLKG-KGLIPLIRSA-N 2 0 325.478 1.587 20 0 EDADRP CCOC(=O)CN(C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1)c1ccccc1 ZINC000420304544 446467365 /nfs/dbraw/zinc/46/73/65/446467365.db2.gz YEEUUTQYRZRZDQ-HNNXBMFYSA-N 2 0 347.459 1.642 20 0 EDADRP C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000420316641 446481503 /nfs/dbraw/zinc/48/15/03/446481503.db2.gz MWHLIAKSOAKWMS-HNNXBMFYSA-N 2 0 340.489 1.790 20 0 EDADRP O[C@H](COc1ccccc1)CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420312642 446474791 /nfs/dbraw/zinc/47/47/91/446474791.db2.gz IFMGCUSWBGGAJF-MOPGFXCFSA-N 2 0 347.503 1.434 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H](C)C1 ZINC000370842247 446475399 /nfs/dbraw/zinc/47/53/99/446475399.db2.gz FUTDJLKHGGGPAV-NXOAAHMSSA-N 2 0 338.496 1.221 20 0 EDADRP [NH3+]CCN(CCO)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC000420311383 446476202 /nfs/dbraw/zinc/47/62/02/446476202.db2.gz RAQBQCCSHVGCNZ-SFHVURJKSA-N 2 0 347.484 1.597 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420312181 446476501 /nfs/dbraw/zinc/47/65/01/446476501.db2.gz RTAOYQOHGHCFAJ-DVOMOZLQSA-N 2 0 333.432 1.147 20 0 EDADRP COC[C@H]1C[NH+](CCC(C)CC[N@@H+]2CCO[C@@H](COC)C2)CCO1 ZINC000411302221 446479104 /nfs/dbraw/zinc/47/91/04/446479104.db2.gz ATIDDQIDHQXJKX-QZTJIDSGSA-N 2 0 344.496 1.097 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418190874 446453833 /nfs/dbraw/zinc/45/38/33/446453833.db2.gz KAGJUROGHLKRLV-GDBMZVCRSA-N 2 0 349.479 1.339 20 0 EDADRP CCC[C@H](C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000367088569 446504999 /nfs/dbraw/zinc/50/49/99/446504999.db2.gz BYNZFURYTIRAIW-RTBURBONSA-N 2 0 346.519 1.822 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000420344891 446516478 /nfs/dbraw/zinc/51/64/78/446516478.db2.gz YQTBPXAQYBMKNQ-AEFFLSMTSA-N 2 0 335.423 1.983 20 0 EDADRP CC(C)CCOCCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420342639 446513174 /nfs/dbraw/zinc/51/31/74/446513174.db2.gz XLBLRIHOEQIVEP-KRWDZBQOSA-N 2 0 325.497 1.629 20 0 EDADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420383020 446558270 /nfs/dbraw/zinc/55/82/70/446558270.db2.gz QHXJKMCQAGTCRF-INIZCTEOSA-N 2 0 343.431 1.655 20 0 EDADRP CN(Cc1cccs1)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420385435 446560262 /nfs/dbraw/zinc/56/02/62/446560262.db2.gz GRZRTPDQEBGHMH-CVEARBPZSA-N 2 0 349.500 1.407 20 0 EDADRP CN(C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000420385967 446560733 /nfs/dbraw/zinc/56/07/33/446560733.db2.gz HUJJVQYHTZGPLC-SJORKVTESA-N 2 0 329.444 1.350 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418483297 446560993 /nfs/dbraw/zinc/56/09/93/446560993.db2.gz ZAPGLGOSIOKVRT-MHORFTMASA-N 2 0 346.475 1.048 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418370128 446517936 /nfs/dbraw/zinc/51/79/36/446517936.db2.gz OYGYSXWAKAVPEI-DLBZAZTESA-N 3 0 339.528 1.186 20 0 EDADRP CS(=O)(=O)c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420345890 446519303 /nfs/dbraw/zinc/51/93/03/446519303.db2.gz VWWXYMLTNAMFES-GASCZTMLSA-N 2 0 338.473 1.400 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCCC1 ZINC000418390309 446524136 /nfs/dbraw/zinc/52/41/36/446524136.db2.gz UTMJHZGGPGIHEC-OKZBNKHCSA-N 2 0 330.476 1.949 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418398162 446527929 /nfs/dbraw/zinc/52/79/29/446527929.db2.gz KGNYVQYGBPHZOD-QZTJIDSGSA-N 2 0 345.491 1.815 20 0 EDADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000420350159 446528434 /nfs/dbraw/zinc/52/84/34/446528434.db2.gz RRHXJFFJGKSIFK-IBGZPJMESA-N 2 0 342.487 1.157 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000433144334 446537821 /nfs/dbraw/zinc/53/78/21/446537821.db2.gz LYQCZSHCZKDKKY-NUJGCVRESA-N 2 0 339.524 1.955 20 0 EDADRP CC(CC[NH+]1CCSC[C@H]1CO)CC[N@@H+]1CCSC[C@H]1CO ZINC000411432961 446538861 /nfs/dbraw/zinc/53/88/61/446538861.db2.gz XBLNCIXVLSKVCN-HZPDHXFCSA-N 2 0 348.578 1.222 20 0 EDADRP Cc1ccc(C(=O)NCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433152108 446539304 /nfs/dbraw/zinc/53/93/04/446539304.db2.gz KNZSRFDSTBNNAU-UHFFFAOYSA-N 2 0 346.475 1.044 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420362885 446542039 /nfs/dbraw/zinc/54/20/39/446542039.db2.gz ZQLSLNHOOOGCDS-FCEWJHQRSA-N 2 0 344.503 1.577 20 0 EDADRP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCOCC[NH3+] ZINC000420368679 446545490 /nfs/dbraw/zinc/54/54/90/446545490.db2.gz IDEMEIHOCKYGES-APWZRJJASA-N 2 0 334.508 1.898 20 0 EDADRP [NH3+]CCOCC[NH+]1CCN(c2cccc(Br)c2)CC1 ZINC000420365727 446546750 /nfs/dbraw/zinc/54/67/50/446546750.db2.gz FIDOAASEAWEVKH-UHFFFAOYSA-N 2 0 328.254 1.546 20 0 EDADRP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000453202074 446550815 /nfs/dbraw/zinc/55/08/15/446550815.db2.gz YEUACLVVTHMDMV-APWZRJJASA-N 2 0 348.487 1.927 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CCC[C@@H]([NH3+])C1 ZINC000423477243 446552498 /nfs/dbraw/zinc/55/24/98/446552498.db2.gz RYJVGDQBTSQIEA-QEORTHHSSA-N 2 0 337.489 1.819 20 0 EDADRP C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCC(C)CC1 ZINC000433391038 446568156 /nfs/dbraw/zinc/56/81/56/446568156.db2.gz UGBOCRDKUGWDRT-GJZGRUSLSA-N 2 0 334.468 1.053 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)NC[C@H](C)[NH2+]C)[C@@H](C)C1 ZINC000418627073 446620292 /nfs/dbraw/zinc/62/02/92/446620292.db2.gz MRHNNJWRWFKFOS-HOTGVXAUSA-N 2 0 348.491 1.909 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000423634111 446617290 /nfs/dbraw/zinc/61/72/90/446617290.db2.gz MKZHXYQZBIRMFM-OALUTQOASA-N 2 0 344.503 1.403 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433405364 446570957 /nfs/dbraw/zinc/57/09/57/446570957.db2.gz FIUSBRZOHDXKOC-HZPDHXFCSA-N 2 0 342.447 1.235 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CCC1 ZINC000418510221 446573694 /nfs/dbraw/zinc/57/36/94/446573694.db2.gz NSDOYZQWGWQQHH-DLBZAZTESA-N 2 0 346.475 1.050 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418520853 446578940 /nfs/dbraw/zinc/57/89/40/446578940.db2.gz HYIKUHJXMQBNKI-IBGZPJMESA-N 2 0 344.503 1.946 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423578225 446585970 /nfs/dbraw/zinc/58/59/70/446585970.db2.gz UHKVAWLYTPUJBA-IEBWSBKVSA-N 2 0 330.520 1.910 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000418546306 446587749 /nfs/dbraw/zinc/58/77/49/446587749.db2.gz JKFWLGZMHTVQET-IAGOWNOFSA-N 2 0 334.464 1.344 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418567930 446598220 /nfs/dbraw/zinc/59/82/20/446598220.db2.gz XCZITNIHAZOOFH-MAUKXSAKSA-N 2 0 334.464 1.002 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000418600349 446609341 /nfs/dbraw/zinc/60/93/41/446609341.db2.gz JLUZZKIBYIWYKS-CVEARBPZSA-N 3 0 327.517 1.042 20 0 EDADRP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367927654 446609611 /nfs/dbraw/zinc/60/96/11/446609611.db2.gz QGIINVOVYVHRHL-AEGPPILISA-N 2 0 336.398 1.875 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000368104323 446643601 /nfs/dbraw/zinc/64/36/01/446643601.db2.gz DYIIFOWRZHMALD-LJQANCHMSA-N 2 0 327.472 1.837 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690494 446648851 /nfs/dbraw/zinc/64/88/51/446648851.db2.gz XFBSOHOCWDOOKN-NRSFXHEJSA-N 2 0 328.460 1.620 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C2CCC2)CC1 ZINC000418642756 446628561 /nfs/dbraw/zinc/62/85/61/446628561.db2.gz TWMVIEYOLQLEPE-SFHVURJKSA-N 2 0 328.460 1.753 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418650946 446633055 /nfs/dbraw/zinc/63/30/55/446633055.db2.gz XHOOVWCGLUUCTC-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CCC[NH2+]1 ZINC000418652235 446633731 /nfs/dbraw/zinc/63/37/31/446633731.db2.gz IITJQOXRIBQFNP-SOLBZPMBSA-N 2 0 338.496 1.412 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418652376 446633923 /nfs/dbraw/zinc/63/39/23/446633923.db2.gz ZJEGVXBLGCZPLE-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418654031 446635465 /nfs/dbraw/zinc/63/54/65/446635465.db2.gz BJVTXJURTNFNCL-DLBZAZTESA-N 2 0 334.464 1.439 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423768063 446694667 /nfs/dbraw/zinc/69/46/67/446694667.db2.gz ZRWPUAIPDVMIFG-MOPGFXCFSA-N 2 0 344.503 1.185 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1(C)C ZINC000423798623 446699197 /nfs/dbraw/zinc/69/91/97/446699197.db2.gz JFKRGTFRKLWWNX-IIDMSEBBSA-N 2 0 325.497 1.756 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000411909592 446718537 /nfs/dbraw/zinc/71/85/37/446718537.db2.gz FZYGZKFLNKJNPG-NVXWUHKLSA-N 2 0 344.459 1.384 20 0 EDADRP COC(=O)C1(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CCCCC1 ZINC000423855156 446731794 /nfs/dbraw/zinc/73/17/94/446731794.db2.gz YNIXGJYIEZFSRA-UHFFFAOYSA-N 2 0 339.480 1.429 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418759206 446679076 /nfs/dbraw/zinc/67/90/76/446679076.db2.gz GDSQNIVDGWROOW-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H](C)C1 ZINC000418759949 446679129 /nfs/dbraw/zinc/67/91/29/446679129.db2.gz AEDFEZHGUKNGFL-PYTCMNEWSA-N 2 0 334.508 1.746 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423749787 446680277 /nfs/dbraw/zinc/68/02/77/446680277.db2.gz SHDXVHULHVVMSL-OWCLPIDISA-N 2 0 339.480 1.108 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000418762162 446681712 /nfs/dbraw/zinc/68/17/12/446681712.db2.gz IPNGVBDWIXQSIY-QGZVFWFLSA-N 2 0 334.464 1.057 20 0 EDADRP CC[C@H](C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000420783624 446818263 /nfs/dbraw/zinc/81/82/63/446818263.db2.gz WGZDYQNDKOYTOP-INIZCTEOSA-N 2 0 333.480 1.939 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@@H+]1C ZINC000418959167 446829385 /nfs/dbraw/zinc/82/93/85/446829385.db2.gz HFHYNCKDCSEQSO-HOCLYGCPSA-N 2 0 338.496 1.014 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000412143480 446878154 /nfs/dbraw/zinc/87/81/54/446878154.db2.gz ZLKIZUVIOLSYQQ-HOTGVXAUSA-N 2 0 325.522 1.757 20 0 EDADRP C[N@H+](Cc1ccc(CN2CCOCC2)cc1)C1CCN(CCO)CC1 ZINC000420909133 446883044 /nfs/dbraw/zinc/88/30/44/446883044.db2.gz YHGVYQUXNZXKHE-UHFFFAOYSA-N 2 0 347.503 1.407 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)[C@@H](C)C[N@@H+]1C ZINC000412229565 446905059 /nfs/dbraw/zinc/90/50/59/446905059.db2.gz QLFAFPRATDFTQE-IJEWVQPXSA-N 2 0 325.522 1.755 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419097266 446922128 /nfs/dbraw/zinc/92/21/28/446922128.db2.gz DMCZABNPOQSISF-PMPSAXMXSA-N 2 0 338.496 1.001 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+])CC(C)C ZINC000419127776 446939560 /nfs/dbraw/zinc/93/95/60/446939560.db2.gz SLHZMCLSKBTEBT-CVEARBPZSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000371765768 446960423 /nfs/dbraw/zinc/96/04/23/446960423.db2.gz MTEOHZNLJNQKDD-FUHWJXTLSA-N 2 0 347.507 1.924 20 0 EDADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057314 446999508 /nfs/dbraw/zinc/99/95/08/446999508.db2.gz GGIJWQQSEMRERB-OAGGEKHMSA-N 2 0 347.459 1.392 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000443058984 446999867 /nfs/dbraw/zinc/99/98/67/446999867.db2.gz BPEJDMPGSDOZRS-CABCVRRESA-N 2 0 333.432 1.003 20 0 EDADRP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372099500 447000009 /nfs/dbraw/zinc/00/00/09/447000009.db2.gz VMQGYERSLVNDDG-DZOHQFGASA-N 2 0 331.460 1.380 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419279234 447053671 /nfs/dbraw/zinc/05/36/71/447053671.db2.gz CJQKGGNAWRGTMG-AWEZNQCLSA-N 2 0 334.464 1.171 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368711295 447058795 /nfs/dbraw/zinc/05/87/95/447058795.db2.gz CUQCCBQJQJLWAB-SFKIEKTPSA-N 2 0 331.464 1.443 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000368720980 447065086 /nfs/dbraw/zinc/06/50/86/447065086.db2.gz CHXSKVSBRPKRHD-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CCc1noc(C)c1CN1CCN(C[C@@H]2CN(C)CCO2)C[C@H]1C ZINC000375877937 447116461 /nfs/dbraw/zinc/11/64/61/447116461.db2.gz UGURWMHMKZKCKT-ZBFHGGJFSA-N 2 0 336.480 1.382 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000425437640 447161852 /nfs/dbraw/zinc/16/18/52/447161852.db2.gz BJTKEEJHIFIEAH-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cc(-c2cccnc2)n[nH]1 ZINC000377621148 447250662 /nfs/dbraw/zinc/25/06/62/447250662.db2.gz AYQNXOXJHNLLTK-UHFFFAOYSA-N 2 0 328.464 1.541 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000425530436 447215089 /nfs/dbraw/zinc/21/50/89/447215089.db2.gz AUKFPVJWUFVQTF-HNNXBMFYSA-N 2 0 328.501 1.467 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCc3nccn3C)CC2)C[C@H](C)O1 ZINC000368981170 447244328 /nfs/dbraw/zinc/24/43/28/447244328.db2.gz QJDSAPBZHPFVQC-GASCZTMLSA-N 2 0 349.479 1.451 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@@H]2CCC[NH2+]2)CC1 ZINC000494655631 447453836 /nfs/dbraw/zinc/45/38/36/447453836.db2.gz RIVNTHDNQFHVOV-KSZLIROESA-N 2 0 336.524 1.536 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458707132 447458347 /nfs/dbraw/zinc/45/83/47/447458347.db2.gz NKCKLIKQEADTPP-INIZCTEOSA-N 2 0 338.496 1.007 20 0 EDADRP COc1ccc(CNC(=O)CC[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000450406120 447479911 /nfs/dbraw/zinc/47/99/11/447479911.db2.gz RCRLRWWWNZRTHY-OAHLLOKOSA-N 2 0 349.475 1.594 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000390748646 447496329 /nfs/dbraw/zinc/49/63/29/447496329.db2.gz RDSFYCROCXGBRJ-HKUYNNGSSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+][C@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000415539220 447504211 /nfs/dbraw/zinc/50/42/11/447504211.db2.gz LMHFMAURXRADJP-QGZVFWFLSA-N 2 0 344.459 1.465 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000456883515 447473753 /nfs/dbraw/zinc/47/37/53/447473753.db2.gz QJPQIWUQZZYZBX-OAHLLOKOSA-N 2 0 326.529 1.685 20 0 EDADRP CC[NH+](CC)CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000457415471 447576049 /nfs/dbraw/zinc/57/60/49/447576049.db2.gz WAUSHYRLQKSNMJ-SJPCQFCGSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000457424277 447577606 /nfs/dbraw/zinc/57/76/06/447577606.db2.gz QFNSIRDZZIQRNL-QZTJIDSGSA-N 2 0 348.491 1.435 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000419986953 447530214 /nfs/dbraw/zinc/53/02/14/447530214.db2.gz WVPWUKDGSVTIOD-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000420020533 447549910 /nfs/dbraw/zinc/54/99/10/447549910.db2.gz FRBPKKOXYZYBTM-YQQAZPJKSA-N 2 0 348.491 1.332 20 0 EDADRP C[C@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1CC[NH3+] ZINC000404271034 447598603 /nfs/dbraw/zinc/59/86/03/447598603.db2.gz KTGNDGPFCGLZPR-BBRMVZONSA-N 2 0 341.477 1.162 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420124172 447617190 /nfs/dbraw/zinc/61/71/90/447617190.db2.gz LWYNXBMZDRZBBA-JKIFEVAISA-N 2 0 346.475 1.167 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420129450 447621855 /nfs/dbraw/zinc/62/18/55/447621855.db2.gz UZIACDOAJQTHQS-CVEARBPZSA-N 2 0 338.496 1.097 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000416825242 447692453 /nfs/dbraw/zinc/69/24/53/447692453.db2.gz AOZWLGLZNVQEDZ-WMZOPIPTSA-N 2 0 334.439 1.823 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496065938 447704014 /nfs/dbraw/zinc/70/40/14/447704014.db2.gz MJOGAJVKWBQVRC-ZDUSSCGKSA-N 2 0 327.473 1.355 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422600367 447664162 /nfs/dbraw/zinc/66/41/62/447664162.db2.gz TUTCDVOGBYCXKF-UHFFFAOYSA-N 2 0 336.480 1.596 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)CCO1 ZINC000416810598 447690139 /nfs/dbraw/zinc/69/01/39/447690139.db2.gz KKUPYCGUWPZSKO-CABCVRRESA-N 2 0 336.436 1.176 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416945264 447720768 /nfs/dbraw/zinc/72/07/68/447720768.db2.gz FDVVLSXKKDGOSO-UAGQMJEPSA-N 2 0 340.512 1.550 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H](C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416949407 447722777 /nfs/dbraw/zinc/72/27/77/447722777.db2.gz HDNGJHNKBRDIFQ-HOCLYGCPSA-N 2 0 328.501 1.550 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000416953489 447725330 /nfs/dbraw/zinc/72/53/30/447725330.db2.gz KOMKMKUNLBQXTP-IKGGRYGDSA-N 2 0 339.528 1.027 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716121 447727036 /nfs/dbraw/zinc/72/70/36/447727036.db2.gz MXPLILYBYYLBOI-SNRMKQJTSA-N 3 0 335.492 1.859 20 0 EDADRP CCN(CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+])S(C)(=O)=O ZINC000422722019 447728529 /nfs/dbraw/zinc/72/85/29/447728529.db2.gz WRKRSNNDNXVGQL-GDBMZVCRSA-N 2 0 327.494 1.206 20 0 EDADRP CC[C@@H](CNC(=O)NC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417009295 447729302 /nfs/dbraw/zinc/72/93/02/447729302.db2.gz KEGCUYJZPHCJGM-SFHVURJKSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NCC[NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000422732002 447731900 /nfs/dbraw/zinc/73/19/00/447731900.db2.gz NAEVFLWYRWGERJ-UHFFFAOYSA-N 2 0 326.238 1.521 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H](c1c(F)cccc1F)N(C)C ZINC000422741204 447734984 /nfs/dbraw/zinc/73/49/84/447734984.db2.gz CVAVGXVQLOSSCX-GVAFMPQTSA-N 2 0 327.419 1.909 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422753556 447739632 /nfs/dbraw/zinc/73/96/32/447739632.db2.gz DZUHBKQBJQDUKN-KZNAEPCWSA-N 2 0 331.460 1.935 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422754710 447740766 /nfs/dbraw/zinc/74/07/66/447740766.db2.gz AQXCPLAFNIZBPA-AZUAARDMSA-N 3 0 330.520 1.782 20 0 EDADRP CCOC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000459713826 447749836 /nfs/dbraw/zinc/74/98/36/447749836.db2.gz NTDPKJKEJQMXSY-QGZVFWFLSA-N 2 0 325.497 1.866 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000422799521 447753425 /nfs/dbraw/zinc/75/34/25/447753425.db2.gz XCTQZYYGUPWJAZ-JKSUJKDBSA-N 2 0 325.453 1.305 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000471856565 447815532 /nfs/dbraw/zinc/81/55/32/447815532.db2.gz LRKDTTPAUGQLAZ-IRXDYDNUSA-N 2 0 344.459 1.210 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000452107713 447815735 /nfs/dbraw/zinc/81/57/35/447815735.db2.gz BYYHWTRUVUKRJD-KURKYZTESA-N 2 0 345.487 1.762 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845391 447767339 /nfs/dbraw/zinc/76/73/39/447767339.db2.gz NWPAHJBDFLKYHE-PKOBYXMFSA-N 2 0 344.503 1.832 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000422848271 447768768 /nfs/dbraw/zinc/76/87/68/447768768.db2.gz JLXCAXLJVPNMPY-WMLDXEAASA-N 2 0 334.464 1.383 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)ccc1OCC(=O)N(C)C ZINC000422937667 447776723 /nfs/dbraw/zinc/77/67/23/447776723.db2.gz JSFAJONGRSVEGS-HOCLYGCPSA-N 2 0 349.475 1.640 20 0 EDADRP Cc1ccc(S(=O)(=O)NCCN[C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422942684 447777097 /nfs/dbraw/zinc/77/70/97/447777097.db2.gz XBBFMKVDRHNAIW-CYBMUJFWSA-N 2 0 334.445 1.432 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430561911 447779980 /nfs/dbraw/zinc/77/99/80/447779980.db2.gz OWOZZINCAZYCAP-AWEZNQCLSA-N 2 0 337.439 1.660 20 0 EDADRP O[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000422969596 447784076 /nfs/dbraw/zinc/78/40/76/447784076.db2.gz USRFNTDCVPGUQN-IVAOSVALSA-N 2 0 343.515 1.916 20 0 EDADRP OC[C@@H](C[NH2+]C1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000423078224 447799985 /nfs/dbraw/zinc/79/99/85/447799985.db2.gz VQVMYVASBJIQAM-CYBMUJFWSA-N 2 0 327.266 1.942 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCc2ccc3c[nH+]cn3c2)CC1 ZINC000496731362 447863585 /nfs/dbraw/zinc/86/35/85/447863585.db2.gz BHHOOTZNCPTKGH-UHFFFAOYSA-N 2 0 344.419 1.569 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487940367 447838180 /nfs/dbraw/zinc/83/81/80/447838180.db2.gz CXFNEURSDOPODL-MUQADHOPSA-N 2 0 347.507 1.459 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000569741170 447880867 /nfs/dbraw/zinc/88/08/67/447880867.db2.gz ZLEUIUKLCWSQGU-FVQBIDKESA-N 2 0 325.522 1.803 20 0 EDADRP CN(C)C[C@H](O)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497206030 447958460 /nfs/dbraw/zinc/95/84/60/447958460.db2.gz AMORHNLQELSGPE-HZPDHXFCSA-N 2 0 335.448 1.552 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574989 447917673 /nfs/dbraw/zinc/91/76/73/447917673.db2.gz QAYZLEHLTWORFK-AZUAARDMSA-N 2 0 345.487 1.470 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814459 447963893 /nfs/dbraw/zinc/96/38/93/447963893.db2.gz GBFBKKIVVGQGAJ-PKOBYXMFSA-N 2 0 331.460 1.224 20 0 EDADRP Cc1nsc(C)c1C[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000570289939 447979388 /nfs/dbraw/zinc/97/93/88/447979388.db2.gz ZLFLQSCEQKQQMN-UHFFFAOYSA-N 2 0 325.478 1.419 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000570322462 447985986 /nfs/dbraw/zinc/98/59/86/447985986.db2.gz ILGSYVHQGKGXOH-KRWDZBQOSA-N 2 0 336.480 1.099 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531298318 448058539 /nfs/dbraw/zinc/05/85/39/448058539.db2.gz JOWGMQLHGXHSMK-KPFFTGBYSA-N 2 0 345.487 1.565 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000576460416 448060226 /nfs/dbraw/zinc/06/02/26/448060226.db2.gz VWKCTBGEYVMRJP-RTBURBONSA-N 2 0 336.476 1.376 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cccc2)cc1 ZINC000531357828 448069606 /nfs/dbraw/zinc/06/96/06/448069606.db2.gz DSEGMBWCYKAKGM-UHFFFAOYSA-N 2 0 342.487 1.972 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCC(=O)Nc1cccnc1 ZINC000570898516 448079325 /nfs/dbraw/zinc/07/93/25/448079325.db2.gz YMFQSNOBGAZLHT-ZACQAIPSSA-N 2 0 332.448 1.594 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)C1 ZINC000531483831 448092069 /nfs/dbraw/zinc/09/20/69/448092069.db2.gz CEIXNSXQBBUQKZ-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000527113397 448162489 /nfs/dbraw/zinc/16/24/89/448162489.db2.gz ZPCVADPPDANJON-LJQANCHMSA-N 2 0 331.460 1.224 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@@H+]1CCc2ccccc2C1 ZINC000509335181 448150633 /nfs/dbraw/zinc/15/06/33/448150633.db2.gz DNYNIEIABAUMJA-QRVBRYPASA-N 2 0 345.487 1.692 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000571420076 448152901 /nfs/dbraw/zinc/15/29/01/448152901.db2.gz VVNVPXCQMWOSGR-KBAYOESNSA-N 2 0 346.475 1.279 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081605 448183389 /nfs/dbraw/zinc/18/33/89/448183389.db2.gz WIAXNGGAGAZEEB-GOSISDBHSA-N 2 0 341.496 1.945 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000571657141 448187161 /nfs/dbraw/zinc/18/71/61/448187161.db2.gz VHUVNWUTMFCJHM-ROUUACIJSA-N 2 0 330.476 1.602 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC000571746812 448197748 /nfs/dbraw/zinc/19/77/48/448197748.db2.gz XDQPEUXMCUMKLL-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC3([NH+](C)C)CCC3)ncn2)C1 ZINC000514781188 448201692 /nfs/dbraw/zinc/20/16/92/448201692.db2.gz UKTCFYBIUOCAFS-LSDHHAIUSA-N 2 0 333.480 1.604 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772499 448204014 /nfs/dbraw/zinc/20/40/14/448204014.db2.gz ACTPLNSWULMAHA-QWHCGFSZSA-N 2 0 332.473 1.767 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cncc(O)c1 ZINC000492517200 448229484 /nfs/dbraw/zinc/22/94/84/448229484.db2.gz DQJQVIPRBLDXRK-ZPUOCTKUSA-N 2 0 346.475 1.675 20 0 EDADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@@H]3CO)c2)[C@H]1CO ZINC000514912060 448222251 /nfs/dbraw/zinc/22/22/51/448222251.db2.gz HBGSSRZBPQBFHA-QXGSTGNESA-N 2 0 333.476 1.487 20 0 EDADRP OCCC1CC[NH+](CCOCC[NH+]2CCC(CCO)CC2)CC1 ZINC000532555535 448273583 /nfs/dbraw/zinc/27/35/83/448273583.db2.gz ULIYXSUCIUHSKI-UHFFFAOYSA-N 2 0 328.497 1.192 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000515058233 448251869 /nfs/dbraw/zinc/25/18/69/448251869.db2.gz OWHWTNYPZREKGW-SFHVURJKSA-N 2 0 330.476 1.986 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)CC1 ZINC000515411310 448309692 /nfs/dbraw/zinc/30/96/92/448309692.db2.gz PHFGLYTVCMDAAH-QGZVFWFLSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc3c[nH]nc3c2)(N2CCOCC2)CC1 ZINC000572223578 448316927 /nfs/dbraw/zinc/31/69/27/448316927.db2.gz LNCWYSCVNXARCC-UHFFFAOYSA-N 2 0 343.475 1.449 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000577386363 448285149 /nfs/dbraw/zinc/28/51/49/448285149.db2.gz PRQJEGIWXIOGLL-HOCLYGCPSA-N 2 0 325.522 1.662 20 0 EDADRP COC(=O)[C@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+](C)C1 ZINC000591263208 448301063 /nfs/dbraw/zinc/30/10/63/448301063.db2.gz MWVQJWSRPABDBD-QGZVFWFLSA-N 2 0 349.475 1.164 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000591457793 448370528 /nfs/dbraw/zinc/37/05/28/448370528.db2.gz ZGNBUIVIRGGTMY-KRWDZBQOSA-N 2 0 333.476 1.975 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC(O)(CC)CC2)CC[NH2+]CC1 ZINC000591570926 448392800 /nfs/dbraw/zinc/39/28/00/448392800.db2.gz BZPUOGCXNWWPDT-UQPPLGOBSA-N 2 0 326.481 1.981 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000566150805 448396538 /nfs/dbraw/zinc/39/65/38/448396538.db2.gz GZYNBCFMLYJZGC-IAGOWNOFSA-N 2 0 331.464 1.412 20 0 EDADRP C[N@@H+]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000516629961 448452310 /nfs/dbraw/zinc/45/23/10/448452310.db2.gz DEIPDKOSQSOPLM-UHFFFAOYSA-N 2 0 344.503 1.536 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1 ZINC000591717192 448469349 /nfs/dbraw/zinc/46/93/49/448469349.db2.gz QPKDWEILFMEJDM-UHFFFAOYSA-N 3 0 348.535 1.744 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)ccn1 ZINC000566447242 448474524 /nfs/dbraw/zinc/47/45/24/448474524.db2.gz PUPDSQXLWNHRGX-UHFFFAOYSA-N 2 0 334.464 1.370 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000578316239 448513228 /nfs/dbraw/zinc/51/32/28/448513228.db2.gz SOZCNDSFVFWORU-ROUUACIJSA-N 2 0 335.492 1.208 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000573001381 448519111 /nfs/dbraw/zinc/51/91/11/448519111.db2.gz NUTNUSANJFILRY-KGLIPLIRSA-N 2 0 338.496 1.142 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccnn1-c1ccc(F)cc1 ZINC000584437797 448525060 /nfs/dbraw/zinc/52/50/60/448525060.db2.gz XOMFFWVVQXMUFN-UHFFFAOYSA-N 2 0 333.455 1.937 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)O1 ZINC000566673463 448534465 /nfs/dbraw/zinc/53/44/65/448534465.db2.gz NIAXYRNYEKIFQQ-VQHPVUNQSA-N 2 0 329.529 1.413 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497658 448560870 /nfs/dbraw/zinc/56/08/70/448560870.db2.gz RUUPTNCJNBAONW-IRXDYDNUSA-N 2 0 345.491 1.098 20 0 EDADRP CCc1nc2ccccc2n1CC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000537718912 448567882 /nfs/dbraw/zinc/56/78/82/448567882.db2.gz RQDOOAOVFAWODP-OAHLLOKOSA-N 2 0 346.475 1.808 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCc2ccc(C(C)=O)cc2CC1 ZINC000567058475 448606504 /nfs/dbraw/zinc/60/65/04/448606504.db2.gz SHOMJGCGXAHZMC-IBGZPJMESA-N 2 0 334.460 1.229 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000517718406 448607872 /nfs/dbraw/zinc/60/78/72/448607872.db2.gz QPPRWPGVACNXHC-HOTGVXAUSA-N 2 0 326.485 1.175 20 0 EDADRP Cc1nc2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C ZINC000573430055 448624152 /nfs/dbraw/zinc/62/41/52/448624152.db2.gz ZRYATIHZMRUVRQ-FZMZJTMJSA-N 2 0 343.431 1.419 20 0 EDADRP C[C@H](C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000578585307 448582134 /nfs/dbraw/zinc/58/21/34/448582134.db2.gz NVRIDRKLFAOMJU-RBSFLKMASA-N 2 0 333.480 2.350 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000517556734 448591498 /nfs/dbraw/zinc/59/14/98/448591498.db2.gz SYBKBKTWMWRKOV-GOSISDBHSA-N 2 0 332.492 1.614 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528704266 448637856 /nfs/dbraw/zinc/63/78/56/448637856.db2.gz HEWSGMLFWPLPSJ-MRXNPFEDSA-N 2 0 348.447 1.137 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000573480872 448638938 /nfs/dbraw/zinc/63/89/38/448638938.db2.gz VQKQDJZSWLFAGC-YJBOKZPZSA-N 2 0 334.460 1.813 20 0 EDADRP CN(C(=O)C[C@H]1CCC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000518215370 448655554 /nfs/dbraw/zinc/65/55/54/448655554.db2.gz QHJNJBVDRKRALL-QGZVFWFLSA-N 2 0 344.503 1.937 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000517933769 448631131 /nfs/dbraw/zinc/63/11/31/448631131.db2.gz KTBBLVIGCPNICS-CZUORRHYSA-N 2 0 345.491 1.438 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000578994867 448688759 /nfs/dbraw/zinc/68/87/59/448688759.db2.gz SMDDABURRVIUPV-QZTJIDSGSA-N 2 0 336.524 1.428 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567455493 448696571 /nfs/dbraw/zinc/69/65/71/448696571.db2.gz YGDLFVSSLFWGDI-JKSUJKDBSA-N 2 0 339.528 1.219 20 0 EDADRP CN1CC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000567377005 448681432 /nfs/dbraw/zinc/68/14/32/448681432.db2.gz GVFYPGIIEKINOK-GMBSWORKSA-N 2 0 329.444 1.700 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)COCc1ccccc1 ZINC000518490182 448683617 /nfs/dbraw/zinc/68/36/17/448683617.db2.gz HQGFUGHSAMCDHL-IEBWSBKVSA-N 2 0 335.492 1.037 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000579228171 448745068 /nfs/dbraw/zinc/74/50/68/448745068.db2.gz BUAYRABXVUYLRE-KXBFYZLASA-N 2 0 332.492 1.652 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000545884209 448804795 /nfs/dbraw/zinc/80/47/95/448804795.db2.gz PUZMHNYRBHPGKQ-SJORKVTESA-N 2 0 338.496 1.125 20 0 EDADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051069 448807501 /nfs/dbraw/zinc/80/75/01/448807501.db2.gz VRLKJOQFRDAXBU-CRAIPNDOSA-N 2 0 345.487 1.695 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000567986820 448793068 /nfs/dbraw/zinc/79/30/68/448793068.db2.gz FCWHLBWTDNDVKN-LSDHHAIUSA-N 2 0 349.504 1.480 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000574142077 448798955 /nfs/dbraw/zinc/79/89/55/448798955.db2.gz YOOQJGMKOBDPNF-MWDXBVQZSA-N 2 0 338.496 1.031 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529373225 448846807 /nfs/dbraw/zinc/84/68/07/448846807.db2.gz AIUDVRKYRUQRQW-NUJGCVRESA-N 2 0 346.475 1.279 20 0 EDADRP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000568399563 448868886 /nfs/dbraw/zinc/86/88/86/448868886.db2.gz SSPWJIHVXZHBKN-KDOFPFPSSA-N 2 0 340.427 1.513 20 0 EDADRP COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000547535208 448896173 /nfs/dbraw/zinc/89/61/73/448896173.db2.gz JSAAKOPPGMHCIC-UHFFFAOYSA-N 2 0 339.411 1.178 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c21 ZINC000592557661 448900912 /nfs/dbraw/zinc/90/09/12/448900912.db2.gz RPEDFGDEZNVFBF-RRFJBIMHSA-N 2 0 331.464 1.181 20 0 EDADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000574685015 448931845 /nfs/dbraw/zinc/93/18/45/448931845.db2.gz XUIXBPNZGRGVGT-IDHHARJASA-N 2 0 334.460 1.897 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000547508192 448892289 /nfs/dbraw/zinc/89/22/89/448892289.db2.gz OFFUVYFDKBADQW-UHFFFAOYSA-N 2 0 334.464 1.315 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000574747865 448945830 /nfs/dbraw/zinc/94/58/30/448945830.db2.gz UOYMTUJTWBDSSE-CABCVRRESA-N 2 0 337.489 1.877 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000574955114 448997770 /nfs/dbraw/zinc/99/77/70/448997770.db2.gz INTODMDOTUYXEJ-QGZVFWFLSA-N 2 0 325.497 1.628 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000569353055 449010336 /nfs/dbraw/zinc/01/03/36/449010336.db2.gz GMLCTNQVPWFVPW-RDTXWAMCSA-N 2 0 347.459 1.625 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592955925 449076566 /nfs/dbraw/zinc/07/65/66/449076566.db2.gz PTYYDQAKIKNSKQ-GJZGRUSLSA-N 2 0 335.496 1.960 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H](C)C1 ZINC000548419822 449039073 /nfs/dbraw/zinc/03/90/73/449039073.db2.gz VCXDKGSKMAPKCK-VSZNYVQBSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215861 449084442 /nfs/dbraw/zinc/08/44/42/449084442.db2.gz JTUVTWDOMLFEOC-UHTWSYAYSA-N 2 0 328.359 1.893 20 0 EDADRP Cc1ccc(C)c(NC(=O)CN2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000575161562 449051963 /nfs/dbraw/zinc/05/19/63/449051963.db2.gz FHLMWWKPMZKQOZ-INIZCTEOSA-N 2 0 342.447 1.629 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605985788 449434474 /nfs/dbraw/zinc/43/44/74/449434474.db2.gz KJFSKDQBSSMVFP-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000598666192 449529255 /nfs/dbraw/zinc/52/92/55/449529255.db2.gz VPQFEKXXPRZXHE-ROUUACIJSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1OCCc2ccccc21 ZINC000607244678 449589534 /nfs/dbraw/zinc/58/95/34/449589534.db2.gz UQYBGOFHURRWCQ-SFHVURJKSA-N 2 0 348.491 1.435 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000614433022 449606983 /nfs/dbraw/zinc/60/69/83/449606983.db2.gz OYZSFCGIDDJLBM-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc(CCOC)s3)C2)CC1 ZINC000602466782 449612705 /nfs/dbraw/zinc/61/27/05/449612705.db2.gz WXSAYJOYWFRTJT-OAHLLOKOSA-N 2 0 338.521 1.544 20 0 EDADRP COC(=O)c1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)[nH]c1C ZINC000602606791 449700697 /nfs/dbraw/zinc/70/06/97/449700697.db2.gz XJAISCMWURFDCD-UHFFFAOYSA-N 2 0 346.431 1.735 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617700683 449746600 /nfs/dbraw/zinc/74/66/00/449746600.db2.gz JOFJYQPXKZTZKC-ZWKOTPCHSA-N 2 0 331.460 1.354 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000608439417 449840109 /nfs/dbraw/zinc/84/01/09/449840109.db2.gz XRMFGQLBDONNIC-INIZCTEOSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000615085432 449944294 /nfs/dbraw/zinc/94/42/94/449944294.db2.gz CIXPLOQXOJGKEL-HNNXBMFYSA-N 2 0 346.475 1.469 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(F)c1 ZINC000612962430 449959160 /nfs/dbraw/zinc/95/91/60/449959160.db2.gz BNCGBHINNUFBEP-HOTGVXAUSA-N 2 0 334.439 1.870 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612978973 449968827 /nfs/dbraw/zinc/96/88/27/449968827.db2.gz CVOGBMAKJOAVLP-NXHRZFHOSA-N 2 0 342.487 1.948 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)C1 ZINC000612977582 449968843 /nfs/dbraw/zinc/96/88/43/449968843.db2.gz PUTZVAHCGMJIIJ-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCN3C[C@@H](C)O[C@@H](C)C3)C2)CC1 ZINC000595340347 450054300 /nfs/dbraw/zinc/05/43/00/450054300.db2.gz RTJIDLKBTBVOLT-CEXWTWQISA-N 2 0 338.540 1.196 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC(C[NH+](C)C)C3)cc2)CC1 ZINC000615511916 450119140 /nfs/dbraw/zinc/11/91/40/450119140.db2.gz ARBCILZTPNBMJQ-UHFFFAOYSA-N 2 0 344.503 1.851 20 0 EDADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000599657715 450132296 /nfs/dbraw/zinc/13/22/96/450132296.db2.gz LJAOUNQVXNQMAN-CQSZACIVSA-N 2 0 346.475 1.947 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000619893439 450358815 /nfs/dbraw/zinc/35/88/15/450358815.db2.gz ILPSGHKFVBBFJN-ZWKOTPCHSA-N 2 0 330.476 1.894 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623405079 450515739 /nfs/dbraw/zinc/51/57/39/450515739.db2.gz XKLJEQIERAWKGJ-UHFFFAOYSA-N 2 0 346.454 1.524 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1N(C)C)N1CC[NH+](C)CC1 ZINC000623404386 450515976 /nfs/dbraw/zinc/51/59/76/450515976.db2.gz ZZZXNEKCQWGQHF-ZDUSSCGKSA-N 2 0 326.435 1.756 20 0 EDADRP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480604 450499743 /nfs/dbraw/zinc/49/97/43/450499743.db2.gz HAQXMTVJQLAUBZ-ZWKOTPCHSA-N 2 0 335.492 1.451 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623379494 450509522 /nfs/dbraw/zinc/50/95/22/450509522.db2.gz TYAMNMMCFWKEEW-UHFFFAOYSA-N 2 0 336.443 2.000 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000623900685 450630106 /nfs/dbraw/zinc/63/01/06/450630106.db2.gz PZRQZQKNAFZNDB-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623900688 450630189 /nfs/dbraw/zinc/63/01/89/450630189.db2.gz PZRQZQKNAFZNDB-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NCC[N@@H+](C)C3CC3)C2)cc1 ZINC000633080887 450666922 /nfs/dbraw/zinc/66/69/22/450666922.db2.gz AEWXQUIOXCCLEO-KRWDZBQOSA-N 2 0 330.476 1.963 20 0 EDADRP [NH3+]CCCOCC[NH2+]C1CCN(C(=O)c2ccccc2Cl)CC1 ZINC000629537933 450726883 /nfs/dbraw/zinc/72/68/83/450726883.db2.gz LHGGTKREZFULMF-UHFFFAOYSA-N 2 0 339.867 1.900 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CN1C1CC1 ZINC000631743866 450745460 /nfs/dbraw/zinc/74/54/60/450745460.db2.gz FGHMYAVCGHMUEF-BQGCOEIASA-N 2 0 341.521 1.594 20 0 EDADRP Cc1cc(NCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(C(C)C)n1 ZINC000624306526 450789653 /nfs/dbraw/zinc/78/96/53/450789653.db2.gz GUWSISHGAPIWGL-SHTZXODSSA-N 2 0 348.495 1.960 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000635258254 450789275 /nfs/dbraw/zinc/78/92/75/450789275.db2.gz SXQJWTHSSLNGQA-AEFFLSMTSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621649887 450813525 /nfs/dbraw/zinc/81/35/25/450813525.db2.gz QKHAXNXWKHLFIJ-CYBMUJFWSA-N 2 0 332.448 1.565 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652721 450816308 /nfs/dbraw/zinc/81/63/08/450816308.db2.gz DGTRGDLRKOZONY-QZTJIDSGSA-N 2 0 336.524 1.395 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH+]1CCOCC1 ZINC000635262186 450791992 /nfs/dbraw/zinc/79/19/92/450791992.db2.gz LWZIBLJYCQSMEQ-DOTOQJQBSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821417 450797582 /nfs/dbraw/zinc/79/75/82/450797582.db2.gz XDLQOQMXIDEFNZ-INMHGKMJSA-N 2 0 346.475 1.039 20 0 EDADRP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624335800 450798833 /nfs/dbraw/zinc/79/88/33/450798833.db2.gz AJSWOAAFZSAVKX-IVAOSVALSA-N 2 0 343.515 1.943 20 0 EDADRP CCn1nccc1CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000621775099 450862785 /nfs/dbraw/zinc/86/27/85/450862785.db2.gz GEOGQOITCFAJLJ-NVXWUHKLSA-N 2 0 333.480 1.026 20 0 EDADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCCC[NH+]1CCCCC1 ZINC000631918828 450878177 /nfs/dbraw/zinc/87/81/77/450878177.db2.gz NGDCVINJBXNKSI-UHFFFAOYSA-N 2 0 346.541 1.161 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457741 450957843 /nfs/dbraw/zinc/95/78/43/450957843.db2.gz JWQSPAKTBPGMMT-QGZVFWFLSA-N 3 0 345.491 1.052 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC2(C[NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000626921606 451005018 /nfs/dbraw/zinc/00/50/18/451005018.db2.gz DYWPUVQPKNDEOO-QGZVFWFLSA-N 2 0 348.491 1.659 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000626934514 451016834 /nfs/dbraw/zinc/01/68/34/451016834.db2.gz HCAPISFZQFNSHL-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000626947132 451025065 /nfs/dbraw/zinc/02/50/65/451025065.db2.gz MHQLNDBUOXGVRT-GJZGRUSLSA-N 2 0 328.501 1.360 20 0 EDADRP CCN(CC[NH3+])C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000626954127 451030883 /nfs/dbraw/zinc/03/08/83/451030883.db2.gz OMVWTMCYKFMKMM-UHFFFAOYSA-N 2 0 348.491 1.897 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000632127881 451056333 /nfs/dbraw/zinc/05/63/33/451056333.db2.gz KXPYDLJWBJAOPJ-GDBMZVCRSA-N 2 0 329.510 1.217 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000626994069 451059642 /nfs/dbraw/zinc/05/96/42/451059642.db2.gz VLBZKSOACUJNTF-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000626993756 451060155 /nfs/dbraw/zinc/06/01/55/451060155.db2.gz MGWQVIRYPBLXGQ-UOVPBQLFSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(C)CCOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000626998488 451064965 /nfs/dbraw/zinc/06/49/65/451064965.db2.gz OATUFMIWEXIENJ-WBVHZDCISA-N 2 0 334.464 1.266 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000627001321 451066298 /nfs/dbraw/zinc/06/62/98/451066298.db2.gz DLEHIHUUFCAERM-OAHLLOKOSA-N 2 0 349.479 1.272 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627023471 451086416 /nfs/dbraw/zinc/08/64/16/451086416.db2.gz VHQDWRQXHNRYOG-SFHVURJKSA-N 2 0 348.491 1.386 20 0 EDADRP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197338 451107508 /nfs/dbraw/zinc/10/75/08/451107508.db2.gz PCMHZIVWEZMIAK-LSDHHAIUSA-N 2 0 331.526 1.511 20 0 EDADRP C[C@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000632227907 451129747 /nfs/dbraw/zinc/12/97/47/451129747.db2.gz MYLNSNBFPJXDMT-HOCLYGCPSA-N 2 0 327.494 1.549 20 0 EDADRP CN(C(C)(C)C[NH+]1CCCCCC1)S(=O)(=O)CCC[NH+](C)C ZINC000632241465 451138291 /nfs/dbraw/zinc/13/82/91/451138291.db2.gz LIOQRIZPFQOQMH-UHFFFAOYSA-N 2 0 333.542 1.854 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C12CCC[NH+](CCC1)C2 ZINC000635705811 451185949 /nfs/dbraw/zinc/18/59/49/451185949.db2.gz ZRYFTAPKGFAGPR-MSOLQXFVSA-N 2 0 349.519 1.747 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000635711242 451190458 /nfs/dbraw/zinc/19/04/58/451190458.db2.gz PSQWSQBIEBUBKR-SFHVURJKSA-N 2 0 333.476 1.124 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc1 ZINC000635793212 451243896 /nfs/dbraw/zinc/24/38/96/451243896.db2.gz UFSUHNHTUGMGMG-RBSFLKMASA-N 2 0 348.491 1.380 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000638087654 451251034 /nfs/dbraw/zinc/25/10/34/451251034.db2.gz DJPPKETYRJCTLT-UHFFFAOYSA-N 2 0 334.464 1.335 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@@H](CO)C[NH+]2CCCC2)CC1 ZINC000640324625 451254882 /nfs/dbraw/zinc/25/48/82/451254882.db2.gz UJPSZHOFBRNKNR-QGZVFWFLSA-N 2 0 346.475 1.179 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638099405 451265046 /nfs/dbraw/zinc/26/50/46/451265046.db2.gz HMXGDCGNZOWZJS-MRXNPFEDSA-N 2 0 330.476 1.233 20 0 EDADRP C[NH+](C)C1(CNC(=O)Cc2cccc3c2CC[NH2+]C3)CCOCC1 ZINC000638112914 451280807 /nfs/dbraw/zinc/28/08/07/451280807.db2.gz WYRUTHFEOCUMBC-UHFFFAOYSA-N 2 0 331.460 1.102 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000638117351 451283915 /nfs/dbraw/zinc/28/39/15/451283915.db2.gz TWJDNDCTOMSQRO-AEFFLSMTSA-N 2 0 333.476 1.946 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638117356 451284211 /nfs/dbraw/zinc/28/42/11/451284211.db2.gz TWJDNDCTOMSQRO-SJLPKXTDSA-N 2 0 333.476 1.946 20 0 EDADRP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC000636550770 451291060 /nfs/dbraw/zinc/29/10/60/451291060.db2.gz FOZOWDVPHUSTQL-SJORKVTESA-N 2 0 340.512 1.109 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596289 451336331 /nfs/dbraw/zinc/33/63/31/451336331.db2.gz LPPUDXHZJOCBQH-SJORKVTESA-N 2 0 346.479 1.898 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638142002 451315958 /nfs/dbraw/zinc/31/59/58/451315958.db2.gz ADOVBXIXFQVCQS-SZVBFZGTSA-N 2 0 331.460 1.236 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000638147534 451321168 /nfs/dbraw/zinc/32/11/68/451321168.db2.gz XCMIIORTAXBGPV-BPQIPLTHSA-N 2 0 331.460 1.556 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200085 451351454 /nfs/dbraw/zinc/35/14/54/451351454.db2.gz NTWGPRSTXLQWOB-UONOGXRCSA-N 2 0 345.447 1.303 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000635894399 451338179 /nfs/dbraw/zinc/33/81/79/451338179.db2.gz GIWAZEPTCDUCME-AEFFLSMTSA-N 2 0 335.492 1.717 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)ccn2)CC1 ZINC000628756100 451399984 /nfs/dbraw/zinc/39/99/84/451399984.db2.gz PZSQZVLPQUXDBF-INIZCTEOSA-N 2 0 345.491 1.295 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638285405 451403415 /nfs/dbraw/zinc/40/34/15/451403415.db2.gz KLOSXQXXOUZQBR-ZWKOTPCHSA-N 2 0 332.492 1.388 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000630792810 451405986 /nfs/dbraw/zinc/40/59/86/451405986.db2.gz YPAKLZVJDDLCEU-SFHVURJKSA-N 2 0 343.475 1.347 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000634700554 451473604 /nfs/dbraw/zinc/47/36/04/451473604.db2.gz BKCFJVMKGHPGKZ-RTBURBONSA-N 2 0 339.524 1.047 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000638339399 451442987 /nfs/dbraw/zinc/44/29/87/451442987.db2.gz GKZPNCUBKSECMY-IRXDYDNUSA-N 2 0 335.492 1.607 20 0 EDADRP C[N@H+](CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346304 451448907 /nfs/dbraw/zinc/44/89/07/451448907.db2.gz HSBNHPQGAGIQAL-HZPDHXFCSA-N 2 0 325.497 1.709 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638409305 451495838 /nfs/dbraw/zinc/49/58/38/451495838.db2.gz XGLUWBYBRPAEQU-LNLFQRSKSA-N 2 0 329.444 1.003 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000634724285 451505988 /nfs/dbraw/zinc/50/59/88/451505988.db2.gz NGDSPMUNJJWCCJ-YZGWKJHDSA-N 2 0 347.503 1.037 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638527836 451559435 /nfs/dbraw/zinc/55/94/35/451559435.db2.gz ZUPDXTWEFZJMHW-XJKSGUPXSA-N 2 0 332.448 1.305 20 0 EDADRP COc1ccccc1N1CCC([NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000631066117 451563940 /nfs/dbraw/zinc/56/39/40/451563940.db2.gz XOGXBOCYHDBSIQ-KRWDZBQOSA-N 2 0 346.519 1.890 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638550275 451572120 /nfs/dbraw/zinc/57/21/20/451572120.db2.gz HVJJOGLYWIKELP-AWEZNQCLSA-N 2 0 342.434 1.607 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000638601533 451598850 /nfs/dbraw/zinc/59/88/50/451598850.db2.gz FGWPEOWXUAYUCW-QGZVFWFLSA-N 2 0 331.460 1.708 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000636910024 451599237 /nfs/dbraw/zinc/59/92/37/451599237.db2.gz YMJKIKVRBVKRCB-NVXWUHKLSA-N 2 0 348.491 1.824 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000638634924 451622588 /nfs/dbraw/zinc/62/25/88/451622588.db2.gz UXOUKJCLNSHXPJ-UHFFFAOYSA-N 2 0 349.475 1.645 20 0 EDADRP CC[C@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640837174 451623122 /nfs/dbraw/zinc/62/31/22/451623122.db2.gz OBJASNLHUOLQOP-GOEBONIOSA-N 2 0 330.436 1.107 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000632892348 451635233 /nfs/dbraw/zinc/63/52/33/451635233.db2.gz YSYCWSSXXHFMMT-CABCVRRESA-N 2 0 331.464 1.782 20 0 EDADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000634998580 451641430 /nfs/dbraw/zinc/64/14/30/451641430.db2.gz HRQVLUGSSCLNQZ-QGZVFWFLSA-N 3 0 336.524 1.524 20 0 EDADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638783658 451690174 /nfs/dbraw/zinc/69/01/74/451690174.db2.gz NRRWPMJAVXQDLH-FGTMMUONSA-N 2 0 335.492 1.239 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638876113 451716574 /nfs/dbraw/zinc/71/65/74/451716574.db2.gz CFQCRZIWHHHDNP-LJCCNALRSA-N 2 0 345.487 1.595 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000638729540 451669014 /nfs/dbraw/zinc/66/90/14/451669014.db2.gz QPWRSVMBZBNJQU-UHFFFAOYSA-N 2 0 335.492 1.765 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[C@@H]1[NH3+] ZINC000632962191 451670691 /nfs/dbraw/zinc/67/06/91/451670691.db2.gz YWBUYVIJGPATLS-CJNGLKHVSA-N 2 0 334.468 1.741 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cn2)CC1 ZINC000632962149 451671000 /nfs/dbraw/zinc/67/10/00/451671000.db2.gz YHARIOZOYLZUOV-BBRMVZONSA-N 2 0 332.452 1.366 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632962885 451671445 /nfs/dbraw/zinc/67/14/45/451671445.db2.gz PQURWCROABZXKH-XJKSGUPXSA-N 2 0 334.468 1.883 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139402 451739325 /nfs/dbraw/zinc/73/93/25/451739325.db2.gz JYQAULOTGBSQBQ-RRFJBIMHSA-N 2 0 338.452 1.075 20 0 EDADRP CC(C)Oc1ccnc(Cn2cc(CN3CCC[C@H]3CO)nn2)c1 ZINC000641197666 451776869 /nfs/dbraw/zinc/77/68/69/451776869.db2.gz CPQQHGOXLRLCCX-INIZCTEOSA-N 2 0 331.420 1.465 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641169882 451768135 /nfs/dbraw/zinc/76/81/35/451768135.db2.gz SBEUCIPNLCCZNZ-GOSISDBHSA-N 2 0 334.512 1.507 20 0 EDADRP COCCC1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000637264083 451773856 /nfs/dbraw/zinc/77/38/56/451773856.db2.gz JXYOYXWNVARYTM-INIZCTEOSA-N 2 0 342.528 1.717 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000639252365 451798981 /nfs/dbraw/zinc/79/89/81/451798981.db2.gz HIPOWMUJGNEBKX-UHFFFAOYSA-N 2 0 334.464 1.359 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639369666 451850892 /nfs/dbraw/zinc/85/08/92/451850892.db2.gz WUYHYFZARSLLQI-HDICACEKSA-N 2 0 339.399 1.060 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2COCCN2C)CC1 ZINC000637446339 451861733 /nfs/dbraw/zinc/86/17/33/451861733.db2.gz QGDKRQPBMZEZAL-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)[C@@H]1CC[N@@H+](C3CCCCC3)C1)CCO2 ZINC000649131987 451866257 /nfs/dbraw/zinc/86/62/57/451866257.db2.gz IFJGPWBWADNQPN-QGZVFWFLSA-N 2 0 349.519 1.964 20 0 EDADRP CC[NH+]1CCC[C@@H]1CNc1nccnc1NC[C@H]1CCC[N@H+]1CC ZINC000649223589 451915594 /nfs/dbraw/zinc/91/55/94/451915594.db2.gz RGEHYOHCCFSLJT-HZPDHXFCSA-N 2 0 332.496 1.113 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000642684812 451915838 /nfs/dbraw/zinc/91/58/38/451915838.db2.gz TUUJAJGHEQVVKC-LSDHHAIUSA-N 2 0 346.475 1.141 20 0 EDADRP CO[C@](C)(C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC000644659164 451922397 /nfs/dbraw/zinc/92/23/97/451922397.db2.gz QFBNZMJUKVRTIO-UKBAYJJMSA-N 2 0 336.476 1.608 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC[C@@H]1[NH3+] ZINC000642787175 451964756 /nfs/dbraw/zinc/96/47/56/451964756.db2.gz CMWORBRFTBTWLY-CVEARBPZSA-N 2 0 340.512 1.197 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000649290060 451966265 /nfs/dbraw/zinc/96/62/65/451966265.db2.gz SJEWNPBERAJZBG-FVQHAEBGSA-N 2 0 344.459 1.162 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305113 451981132 /nfs/dbraw/zinc/98/11/32/451981132.db2.gz FOPVCJVMYOBPHI-AZUAARDMSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649307549 451985039 /nfs/dbraw/zinc/98/50/39/451985039.db2.gz ZSBZEYORXAOGNU-RBSFLKMASA-N 2 0 348.495 1.299 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000649311868 451989305 /nfs/dbraw/zinc/98/93/05/451989305.db2.gz XWGLHRLZOJSERJ-QAPCUYQASA-N 2 0 330.476 1.545 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321134 452000472 /nfs/dbraw/zinc/00/04/72/452000472.db2.gz MOUIQGWOWADIMJ-RBUKOAKNSA-N 2 0 343.471 1.046 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)cn2)CC1 ZINC000637666194 452008583 /nfs/dbraw/zinc/00/85/83/452008583.db2.gz XXMVDIFYIJBOPV-WMLDXEAASA-N 2 0 346.479 1.708 20 0 EDADRP C[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649344608 452025049 /nfs/dbraw/zinc/02/50/49/452025049.db2.gz HDBWFPWFMHZHAN-FUHWJXTLSA-N 2 0 331.460 1.345 20 0 EDADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(C(N)=O)c1 ZINC000653586723 452028077 /nfs/dbraw/zinc/02/80/77/452028077.db2.gz KGDWTGVMIFABSW-UHFFFAOYSA-N 2 0 335.452 1.051 20 0 EDADRP NC(=O)[C@H](c1ccc(F)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705182 452043073 /nfs/dbraw/zinc/04/30/73/452043073.db2.gz TZJFDSRDUOYTIF-KRWDZBQOSA-N 2 0 328.391 1.959 20 0 EDADRP Cc1nc(N(C)C[C@@H]2CCC[NH+]2C)cc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000643197878 452063972 /nfs/dbraw/zinc/06/39/72/452063972.db2.gz OLQCOTVYZTWHGC-IRXDYDNUSA-N 2 0 346.523 1.846 20 0 EDADRP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000649412857 452075952 /nfs/dbraw/zinc/07/59/52/452075952.db2.gz BTQWDJAITZEJNE-KRWDZBQOSA-N 2 0 333.480 1.176 20 0 EDADRP O=C(NC1CC[NH2+]CC1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637797738 452087561 /nfs/dbraw/zinc/08/75/61/452087561.db2.gz GYGKHGPKQBWZAT-UYAOXDASSA-N 2 0 343.471 1.393 20 0 EDADRP [NH3+]C1(CNC(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)CCCCC1 ZINC000637801897 452090272 /nfs/dbraw/zinc/09/02/72/452090272.db2.gz TXGTWGWKJPVJPA-SNVBAGLBSA-N 2 0 342.394 1.142 20 0 EDADRP Cc1cccn2c(=O)cc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)nc12 ZINC000639758914 452098684 /nfs/dbraw/zinc/09/86/84/452098684.db2.gz ZPGHFEBRZKOQLM-UHFFFAOYSA-N 2 0 326.444 1.921 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000639765155 452107152 /nfs/dbraw/zinc/10/71/52/452107152.db2.gz HSBZDOZSNHVCFO-IBGZPJMESA-N 2 0 339.524 1.660 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637844024 452111162 /nfs/dbraw/zinc/11/11/62/452111162.db2.gz IWHFZVVAYKKNNM-CQSZACIVSA-N 2 0 347.463 1.407 20 0 EDADRP CN(C)c1ncccc1O[C@H]1CC[N@H+](CCn2ccccc2=O)C1 ZINC000649615158 452168672 /nfs/dbraw/zinc/16/86/72/452168672.db2.gz DIYQVSFAANERKL-HNNXBMFYSA-N 2 0 328.416 1.463 20 0 EDADRP Nc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000641731903 452226211 /nfs/dbraw/zinc/22/62/11/452226211.db2.gz BFESHASXRBZWIS-UHFFFAOYSA-N 2 0 326.444 1.910 20 0 EDADRP Nc1nc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000645233994 452227234 /nfs/dbraw/zinc/22/72/34/452227234.db2.gz SIDPKRAPSFDRSV-AWEZNQCLSA-N 2 0 331.464 1.486 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2nccc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486489 452230606 /nfs/dbraw/zinc/23/06/06/452230606.db2.gz ZRSDPRYVRBKUDN-QGZVFWFLSA-N 2 0 338.455 1.879 20 0 EDADRP CCCN(C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000645278905 452256203 /nfs/dbraw/zinc/25/62/03/452256203.db2.gz KQDKCBCOXWTRIH-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000659426870 452268772 /nfs/dbraw/zinc/26/87/72/452268772.db2.gz FWSYCXKIDXQMHC-KFWWJZLASA-N 2 0 326.391 1.509 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541254 452274924 /nfs/dbraw/zinc/27/49/24/452274924.db2.gz UORCMBLBFZRNFP-GOSISDBHSA-N 3 0 332.492 1.107 20 0 EDADRP C[C@@H]1CC[C@H](C[NH3+])N(CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1C ZINC000641804078 452281308 /nfs/dbraw/zinc/28/13/08/452281308.db2.gz AKZDRTBZTHQIAP-MGPQQGTHSA-N 2 0 341.477 1.161 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659436948 452284643 /nfs/dbraw/zinc/28/46/43/452284643.db2.gz VVPNNTIPKDBBKP-NVXWUHKLSA-N 2 0 334.508 1.892 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659436463 452285041 /nfs/dbraw/zinc/28/50/41/452285041.db2.gz LWFLWNVDDLRTMO-DOTOQJQBSA-N 2 0 334.508 1.892 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)N(CC)CCC[NH+](CC)CC)CC[C@@H]1[NH3+] ZINC000643532202 452296707 /nfs/dbraw/zinc/29/67/07/452296707.db2.gz GGJQZMWCHOYCCB-HOTGVXAUSA-N 2 0 340.512 1.153 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC23CC(C2)C[NH2+]3)Cc2ccccc2C1 ZINC000659460172 452312241 /nfs/dbraw/zinc/31/22/41/452312241.db2.gz ROKKXVFEFNWYKT-UHFFFAOYSA-N 2 0 328.460 1.137 20 0 EDADRP CCCN(C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C1CC[NH2+]CC1 ZINC000638047182 452315766 /nfs/dbraw/zinc/31/57/66/452315766.db2.gz LLNJWJBEWIWQDT-MAUKXSAKSA-N 2 0 333.476 1.910 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)cn1 ZINC000638050643 452323134 /nfs/dbraw/zinc/32/31/34/452323134.db2.gz QJCZMTMWRVMMQW-INIZCTEOSA-N 2 0 325.416 1.502 20 0 EDADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000655513885 452323880 /nfs/dbraw/zinc/32/38/80/452323880.db2.gz HMMUCWYRHQSJOL-OLZOCXBDSA-N 2 0 330.354 1.299 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661515330 452324436 /nfs/dbraw/zinc/32/44/36/452324436.db2.gz RBMRLDBLEOTHEE-HZPDHXFCSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659468534 452325654 /nfs/dbraw/zinc/32/56/54/452325654.db2.gz BPPYFTXTYMLLLZ-JGWYNZBZSA-N 2 0 328.460 1.782 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000659471018 452327851 /nfs/dbraw/zinc/32/78/51/452327851.db2.gz KOBCKLDVAQMVRN-PMPSAXMXSA-N 2 0 326.485 1.037 20 0 EDADRP C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[NH2+]CCO1 ZINC000638053241 452331094 /nfs/dbraw/zinc/33/10/94/452331094.db2.gz IOYVPIPZPSAKGJ-IBGZPJMESA-N 2 0 331.460 1.667 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759891 452333151 /nfs/dbraw/zinc/33/31/51/452333151.db2.gz SLQKCZKZGUQFJS-DLBZAZTESA-N 2 0 341.544 1.384 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638054255 452334472 /nfs/dbraw/zinc/33/44/72/452334472.db2.gz DXDGKXILQMQIJR-PKOBYXMFSA-N 2 0 346.519 1.826 20 0 EDADRP CO[C@@H]1C[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@](C)(CO)C1 ZINC000640002294 452335982 /nfs/dbraw/zinc/33/59/82/452335982.db2.gz XLKKLKFNZNFPKM-UFYCRDLUSA-N 2 0 348.487 1.749 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCCC1CC[NH2+]CC1 ZINC000652141985 452335888 /nfs/dbraw/zinc/33/58/88/452335888.db2.gz FEUYSALBFKSLIJ-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+](C)C ZINC000638060841 452351348 /nfs/dbraw/zinc/35/13/48/452351348.db2.gz SKGRZHICQGTLRC-QZTJIDSGSA-N 2 0 334.508 1.538 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(C[NH3+])cc2F)CCSC1 ZINC000652163696 452359789 /nfs/dbraw/zinc/35/97/89/452359789.db2.gz VCWDKAYWXUGRBQ-MRXNPFEDSA-N 2 0 340.468 1.521 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659496190 452360796 /nfs/dbraw/zinc/36/07/96/452360796.db2.gz LKLROAOLMIFYTQ-QGZVFWFLSA-N 2 0 338.496 1.130 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174514 452368627 /nfs/dbraw/zinc/36/86/27/452368627.db2.gz WOSZHNGYVNVYQD-TVFCKZIOSA-N 2 0 346.475 1.437 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000663631627 452371810 /nfs/dbraw/zinc/37/18/10/452371810.db2.gz ZHOCUMIPYWEGEI-KRWDZBQOSA-N 2 0 341.544 1.290 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCO1 ZINC000659508306 452373991 /nfs/dbraw/zinc/37/39/91/452373991.db2.gz UGRKLJRTZZJMMN-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659523806 452386836 /nfs/dbraw/zinc/38/68/36/452386836.db2.gz WQAMOSAFJCRDJR-GVDBMIGSSA-N 2 0 336.455 1.944 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)CC[NH3+])cc1F ZINC000659528188 452390220 /nfs/dbraw/zinc/39/02/20/452390220.db2.gz BDHMNINNLVKWLU-WHOFXGATSA-N 2 0 338.427 1.316 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000659527442 452391346 /nfs/dbraw/zinc/39/13/46/452391346.db2.gz KYJAJELAPSTZOA-SFHVURJKSA-N 2 0 348.491 1.181 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659537294 452395790 /nfs/dbraw/zinc/39/57/90/452395790.db2.gz RRTPUSGMZCSCJT-NKKGCODLSA-N 2 0 334.439 1.568 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC[NH2+]1 ZINC000659545329 452403023 /nfs/dbraw/zinc/40/30/23/452403023.db2.gz ZSKNWVIVWVHUHV-OLMNPRSZSA-N 2 0 346.475 1.193 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659549817 452407502 /nfs/dbraw/zinc/40/75/02/452407502.db2.gz OUWBQELFUPGWEV-LALPHHSUSA-N 2 0 326.391 1.447 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659553638 452409187 /nfs/dbraw/zinc/40/91/87/452409187.db2.gz BSNAQJVIBVLZKY-VSZNYVQBSA-N 2 0 334.508 1.796 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652216910 452412352 /nfs/dbraw/zinc/41/23/52/452412352.db2.gz JUZWNDHDDOFTIR-YVSFHVDLSA-N 2 0 338.496 1.432 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000659556221 452412954 /nfs/dbraw/zinc/41/29/54/452412954.db2.gz RMXMQIWYKLRCSH-USJZOSNVSA-N 2 0 348.491 1.956 20 0 EDADRP [NH3+]CC1(CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659559355 452416958 /nfs/dbraw/zinc/41/69/58/452416958.db2.gz LIKJSZZUEAONJK-HZPDHXFCSA-N 2 0 334.439 1.699 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654377617 452430084 /nfs/dbraw/zinc/43/00/84/452430084.db2.gz QTUHYJSQKWWCBB-IAGOWNOFSA-N 2 0 338.496 1.415 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659581031 452436419 /nfs/dbraw/zinc/43/64/19/452436419.db2.gz HVQZZXCCOBIUMK-MGHWNKPDSA-N 2 0 346.450 1.665 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@H]1C[NH3+] ZINC000659581043 452436701 /nfs/dbraw/zinc/43/67/01/452436701.db2.gz HYZIZMZJWJBVNV-MOIQIXESSA-N 2 0 348.466 1.898 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659582920 452438297 /nfs/dbraw/zinc/43/82/97/452438297.db2.gz WZLVVMGRVOHPQG-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000659588034 452443884 /nfs/dbraw/zinc/44/38/84/452443884.db2.gz CLANGQCNFNIDDL-BODMPHMZSA-N 2 0 346.475 1.519 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000659589515 452446331 /nfs/dbraw/zinc/44/63/31/452446331.db2.gz RIEAPPDJECGHHJ-DLTLXFJOSA-N 2 0 334.439 1.663 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589870 452446444 /nfs/dbraw/zinc/44/64/44/452446444.db2.gz YWLVKCVGCXXXIT-QBPKDAKJSA-N 2 0 334.439 1.840 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645485107 452454986 /nfs/dbraw/zinc/45/49/86/452454986.db2.gz SHMNCENQUUKVAR-APWZRJJASA-N 2 0 344.503 1.438 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC000657712683 452463679 /nfs/dbraw/zinc/46/36/79/452463679.db2.gz YYTTVZSLHYNWQK-INIZCTEOSA-N 2 0 330.476 1.585 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000659611717 452470277 /nfs/dbraw/zinc/47/02/77/452470277.db2.gz UAOQMNIFJDSEKF-GVDBMIGSSA-N 2 0 338.496 1.399 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000652288625 452471571 /nfs/dbraw/zinc/47/15/71/452471571.db2.gz RHNBFYQUJXGHEM-MRXNPFEDSA-N 2 0 347.507 1.231 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000659621400 452479203 /nfs/dbraw/zinc/47/92/03/452479203.db2.gz DMYQRIFUNHEBEV-BBWFWOEESA-N 2 0 339.528 1.027 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000663775195 452506170 /nfs/dbraw/zinc/50/61/70/452506170.db2.gz VGDPZGSTLJGRAY-ZWKOTPCHSA-N 2 0 346.475 1.147 20 0 EDADRP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652341641 452511794 /nfs/dbraw/zinc/51/17/94/452511794.db2.gz AHEJDYCNXYVPQG-MRXNPFEDSA-N 2 0 341.377 1.833 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347408 452521782 /nfs/dbraw/zinc/52/17/82/452521782.db2.gz AHTXTUBZFCVOGZ-NOCIGQNYSA-N 2 0 349.519 1.994 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346648 452522092 /nfs/dbraw/zinc/52/20/92/452522092.db2.gz CQFQPHIFPSFBOJ-VSZNYVQBSA-N 2 0 337.508 1.996 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000647789747 452523210 /nfs/dbraw/zinc/52/32/10/452523210.db2.gz KMBXPXWUNLJCQJ-GUDVDZBRSA-N 3 0 343.519 1.701 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347332 452524113 /nfs/dbraw/zinc/52/41/13/452524113.db2.gz YWNMAXJFOBYNOO-SMLCLMEVSA-N 2 0 325.497 1.898 20 0 EDADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000647791579 452524846 /nfs/dbraw/zinc/52/48/46/452524846.db2.gz HVUHYEJRPMIGRE-JJXSEGSLSA-N 2 0 329.444 1.778 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647794197 452526819 /nfs/dbraw/zinc/52/68/19/452526819.db2.gz UCLPZWRRRZIRGE-VBSBHUPXSA-N 3 0 329.488 1.731 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000663826312 452552960 /nfs/dbraw/zinc/55/29/60/452552960.db2.gz QTTLNZTVYAWBFB-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)CCC[NH3+])CC2)cc1 ZINC000647847337 452580491 /nfs/dbraw/zinc/58/04/91/452580491.db2.gz KCSLULKFLOBDMQ-UHFFFAOYSA-N 2 0 332.492 1.310 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000655805644 452587610 /nfs/dbraw/zinc/58/76/10/452587610.db2.gz JRFBBBYTPZYRHQ-OFQRWUPVSA-N 2 0 339.505 1.928 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804297 452587847 /nfs/dbraw/zinc/58/78/47/452587847.db2.gz SMLKHWKQLSFRAQ-SOUVJXGZSA-N 2 0 339.505 1.942 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904257 452644206 /nfs/dbraw/zinc/64/42/06/452644206.db2.gz ZZCIKHJRLPQJQN-GJZGRUSLSA-N 2 0 334.464 1.315 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000666184138 452667907 /nfs/dbraw/zinc/66/79/07/452667907.db2.gz WXZOJJLRHPNJSC-HNNXBMFYSA-N 2 0 336.484 1.687 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000655915473 452675509 /nfs/dbraw/zinc/67/55/09/452675509.db2.gz VHPHUTSVXGDUCM-QWHCGFSZSA-N 2 0 332.370 1.787 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)NCC[C@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000658007338 452680064 /nfs/dbraw/zinc/68/00/64/452680064.db2.gz PNVTWZJAHXGTBM-CQSZACIVSA-N 2 0 343.431 1.429 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000655921279 452684254 /nfs/dbraw/zinc/68/42/54/452684254.db2.gz NEIPATVCWVQPAG-MRVWCRGKSA-N 2 0 344.381 1.838 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926844 452693625 /nfs/dbraw/zinc/69/36/25/452693625.db2.gz GTRIFASDKRXPPB-QWHCGFSZSA-N 2 0 336.402 1.972 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926842 452693787 /nfs/dbraw/zinc/69/37/87/452693787.db2.gz GTRIFASDKRXPPB-CHWSQXEVSA-N 2 0 336.402 1.972 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000661945384 452699284 /nfs/dbraw/zinc/69/92/84/452699284.db2.gz CXTUULQSFITHCA-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP Nc1nc(N2CCC([N@@H+]3CCCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000664008740 452711404 /nfs/dbraw/zinc/71/14/04/452711404.db2.gz KHUYBVORNPMQGH-UHFFFAOYSA-N 2 0 331.464 1.629 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000661954670 452715184 /nfs/dbraw/zinc/71/51/84/452715184.db2.gz YIAKRQFIHQNGPB-QGZVFWFLSA-N 2 0 340.512 1.659 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CO2 ZINC000658107172 452727912 /nfs/dbraw/zinc/72/79/12/452727912.db2.gz KTQBPKNLTPMLGC-DOTOQJQBSA-N 2 0 335.492 1.860 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000647983786 452728099 /nfs/dbraw/zinc/72/80/99/452728099.db2.gz FWUOMCISHCZVIN-QAPCUYQASA-N 2 0 344.459 1.960 20 0 EDADRP CN(C[C@@H]1CCC[NH+]1C)c1cnc(N(C)C[C@@H]2CCC[N@@H+]2C)cn1 ZINC000664028977 452729038 /nfs/dbraw/zinc/72/90/38/452729038.db2.gz JSLJJABMJJTNJG-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661978967 452732440 /nfs/dbraw/zinc/73/24/40/452732440.db2.gz QZVAILDNNHTQIU-QGZVFWFLSA-N 2 0 338.496 1.223 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655973865 452757090 /nfs/dbraw/zinc/75/70/90/452757090.db2.gz JSZOTWSJCVIHJB-SJORKVTESA-N 2 0 338.496 1.543 20 0 EDADRP COc1cc(CNC(=O)[C@@H](C)[NH+]2CC(C)C2)ccc1OCC[NH+](C)C ZINC000654676990 452792355 /nfs/dbraw/zinc/79/23/55/452792355.db2.gz QHSGGZSIBGCOOC-OAHLLOKOSA-N 2 0 349.475 1.592 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664130079 452810985 /nfs/dbraw/zinc/81/09/85/452810985.db2.gz SDUUDEGZIVFGQY-HOTGVXAUSA-N 2 0 336.480 1.119 20 0 EDADRP COCCC1(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[NH2+]CC1 ZINC000648107487 452826114 /nfs/dbraw/zinc/82/61/14/452826114.db2.gz VRMIKOUKFJDHRX-CQSZACIVSA-N 2 0 332.448 1.242 20 0 EDADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648115753 452833010 /nfs/dbraw/zinc/83/30/10/452833010.db2.gz XDIYKIDWOQIHLZ-NZSAHSFTSA-N 2 0 342.487 1.655 20 0 EDADRP Cn1ccnc1CN(C(=O)CC[C@H]1CCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118580 452835851 /nfs/dbraw/zinc/83/58/51/452835851.db2.gz RNWIMWDPPJSLEW-HZPDHXFCSA-N 2 0 345.491 1.423 20 0 EDADRP CCn1c2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2[nH]c1=O ZINC000654732652 452853678 /nfs/dbraw/zinc/85/36/78/452853678.db2.gz CYPXXAAFUKQLNC-UHFFFAOYSA-N 2 0 347.463 1.327 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000648160077 452869090 /nfs/dbraw/zinc/86/90/90/452869090.db2.gz WJDOOIRCNXJDNF-RCCFBDPRSA-N 2 0 330.476 1.737 20 0 EDADRP CCCc1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n2ncnc2n1 ZINC000664196400 452869352 /nfs/dbraw/zinc/86/93/52/452869352.db2.gz KVUNMCYQJCTBFU-AWEZNQCLSA-N 2 0 333.484 1.761 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)CC[N@@H+]1C ZINC000664215408 452889575 /nfs/dbraw/zinc/88/95/75/452889575.db2.gz BMCCDXKYWWIKLB-MCIONIFRSA-N 2 0 337.468 1.262 20 0 EDADRP OC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000666476338 452897360 /nfs/dbraw/zinc/89/73/60/452897360.db2.gz HQBQZKCTIYWICY-PKOBYXMFSA-N 2 0 334.460 1.336 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000648187124 452898081 /nfs/dbraw/zinc/89/80/81/452898081.db2.gz KVOXGIOVLQQRBG-ZIAGYGMSSA-N 2 0 331.464 1.292 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)cn21 ZINC000645932061 452910947 /nfs/dbraw/zinc/91/09/47/452910947.db2.gz USKWSLWYPXBBJM-RDJZCZTQSA-N 2 0 341.459 1.921 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CC[C@H]4CC[N@@H+](C)C[C@@H]43)cn21 ZINC000645932062 452912053 /nfs/dbraw/zinc/91/20/53/452912053.db2.gz USKWSLWYPXBBJM-WBVHZDCISA-N 2 0 341.459 1.921 20 0 EDADRP [NH3+]CCOCC(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000645947280 452926946 /nfs/dbraw/zinc/92/69/46/452926946.db2.gz OUODWXGBYWUMQE-UHFFFAOYSA-N 2 0 339.867 1.644 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977871 452965650 /nfs/dbraw/zinc/96/56/50/452965650.db2.gz MGFANRHYIPRTNT-WMZOPIPTSA-N 2 0 348.466 1.153 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCCCC1 ZINC000660056954 452971411 /nfs/dbraw/zinc/97/14/11/452971411.db2.gz MFNDNATYTNJUPO-SFHVURJKSA-N 2 0 339.524 1.972 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652813610 452973432 /nfs/dbraw/zinc/97/34/32/452973432.db2.gz HPOWIBZEMIWJHG-RTBURBONSA-N 2 0 345.487 1.830 20 0 EDADRP CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249383 452974736 /nfs/dbraw/zinc/97/47/36/452974736.db2.gz LSIGDIIATFFURO-INIZCTEOSA-N 2 0 335.423 1.285 20 0 EDADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000662259783 452987313 /nfs/dbraw/zinc/98/73/13/452987313.db2.gz BHZTUCBMDBXPGA-CVEARBPZSA-N 2 0 344.459 1.562 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2cccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2)C1 ZINC000656260488 452994933 /nfs/dbraw/zinc/99/49/33/452994933.db2.gz PZRDOKQBLYYILB-WOJBJXKFSA-N 2 0 345.487 1.918 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662327065 453045686 /nfs/dbraw/zinc/04/56/86/453045686.db2.gz HWFSRCWVZLCHJD-LWYYNNOASA-N 2 0 330.472 1.810 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686184 453064337 /nfs/dbraw/zinc/06/43/37/453064337.db2.gz GCJGMQDOOWOLDT-CABCVRRESA-N 2 0 345.443 1.561 20 0 EDADRP Cc1cnccc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000648446222 453090831 /nfs/dbraw/zinc/09/08/31/453090831.db2.gz NCEFRFPMCDPVAI-UHFFFAOYSA-N 2 0 340.475 1.872 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656337889 453095004 /nfs/dbraw/zinc/09/50/04/453095004.db2.gz XNEQIMDPTMHDJC-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C(C)C)C2(CO)CC=CC2)CC1 ZINC000646086880 453096417 /nfs/dbraw/zinc/09/64/17/453096417.db2.gz UXAXZDSYIYMXFT-GOSISDBHSA-N 2 0 337.508 1.530 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCCC[NH+]3CCOCC3)cc21 ZINC000662386821 453097361 /nfs/dbraw/zinc/09/73/61/453097361.db2.gz NJEOAOPSUNLFAU-SFHVURJKSA-N 2 0 345.487 1.907 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[NH+](C)C ZINC000664472784 453125070 /nfs/dbraw/zinc/12/50/70/453125070.db2.gz GQGGNTHJCVPDLB-FVQBIDKESA-N 2 0 326.485 1.004 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000662445650 453152280 /nfs/dbraw/zinc/15/22/80/453152280.db2.gz UHQQWSAOAYRYLL-CYBMUJFWSA-N 2 0 330.436 1.096 20 0 EDADRP Cc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)nc(C)n1 ZINC000660276696 453169090 /nfs/dbraw/zinc/16/90/90/453169090.db2.gz RUMNXWKXYNLDIB-UHFFFAOYSA-N 2 0 331.508 1.943 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662477444 453190282 /nfs/dbraw/zinc/19/02/82/453190282.db2.gz UGELJGRFSWVAAP-UHFFFAOYSA-N 2 0 334.468 1.054 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000666872581 453203449 /nfs/dbraw/zinc/20/34/49/453203449.db2.gz ZEXKFZWYFODMNY-CABCVRRESA-N 2 0 344.459 1.260 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662490834 453208753 /nfs/dbraw/zinc/20/87/53/453208753.db2.gz LAIWBAWTGZQERK-UHFFFAOYSA-N 2 0 331.460 1.863 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cc4c(s3)CC[NH2+]C4)sc2C1 ZINC000662518978 453238711 /nfs/dbraw/zinc/23/87/11/453238711.db2.gz PUBNVSYFCQNGQJ-VIFPVBQESA-N 2 0 334.470 1.919 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666974481 453292375 /nfs/dbraw/zinc/29/23/75/453292375.db2.gz RGUBUASVCYCPFS-HYVNUMGLSA-N 2 0 338.496 1.221 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000666978737 453299767 /nfs/dbraw/zinc/29/97/67/453299767.db2.gz CROKPQOFJZUZMD-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@]34C[NH2+]C[C@H]3COC4)C2)CC1 ZINC000653113398 453299858 /nfs/dbraw/zinc/29/98/58/453299858.db2.gz BACPBWISZAZTGP-AOIWGVFYSA-N 2 0 335.492 1.193 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662573936 453300560 /nfs/dbraw/zinc/30/05/60/453300560.db2.gz IDWJAZRZJBZAOT-QWFCFKBJSA-N 2 0 343.471 1.966 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)CC1 ZINC000653114464 453301055 /nfs/dbraw/zinc/30/10/55/453301055.db2.gz JBTXQCTWZQULIA-NBMJBFSESA-N 2 0 348.535 1.534 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000653114000 453302160 /nfs/dbraw/zinc/30/21/60/453302160.db2.gz VLALXZUBUHLJLS-MRXNPFEDSA-N 2 0 338.521 1.355 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662576429 453303778 /nfs/dbraw/zinc/30/37/78/453303778.db2.gz XQMPGZKZHXGFSZ-PBHICJAKSA-N 2 0 349.500 1.752 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000653121794 453312568 /nfs/dbraw/zinc/31/25/68/453312568.db2.gz BUYKCPKTMBWJRE-DZKIICNBSA-N 2 0 338.521 1.526 20 0 EDADRP COc1c[nH+]ccc1N1CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660453494 453321136 /nfs/dbraw/zinc/32/11/36/453321136.db2.gz OMWZELXHBDXTKP-IYBDPMFKSA-N 2 0 334.464 1.321 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]1CCO ZINC000664716329 453343002 /nfs/dbraw/zinc/34/30/02/453343002.db2.gz ACMSCDXLUDZWGA-XHSDSOJGSA-N 2 0 328.501 1.109 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000660486690 453343104 /nfs/dbraw/zinc/34/31/04/453343104.db2.gz MEGULQCVUZNWDL-ZFWWWQNUSA-N 2 0 339.446 1.940 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646385541 453359145 /nfs/dbraw/zinc/35/91/45/453359145.db2.gz WQEYRECBOHRAQB-CVEARBPZSA-N 2 0 330.476 1.874 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000653175947 453365913 /nfs/dbraw/zinc/36/59/13/453365913.db2.gz GUGRLKRLPBUVEG-HDMKZQKVSA-N 2 0 325.497 1.613 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+]2CCCC2)o1 ZINC000660529741 453377183 /nfs/dbraw/zinc/37/71/83/453377183.db2.gz CXULENTZIWFWDA-INIZCTEOSA-N 2 0 334.464 1.928 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662674629 453390023 /nfs/dbraw/zinc/39/00/23/453390023.db2.gz DMBICQVGTOJGCR-RTBURBONSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)c1 ZINC000662673640 453391068 /nfs/dbraw/zinc/39/10/68/453391068.db2.gz NTAHDWDMRBJFFT-CYBMUJFWSA-N 2 0 343.431 1.679 20 0 EDADRP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000662679497 453400663 /nfs/dbraw/zinc/40/06/63/453400663.db2.gz PEYJKQIXGMZFMK-KBPBESRZSA-N 2 0 334.468 1.195 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1(C)C ZINC000662686941 453408507 /nfs/dbraw/zinc/40/85/07/453408507.db2.gz RPTBWUZCHJQFRB-GPMSIDNRSA-N 2 0 347.459 1.819 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740995 453465674 /nfs/dbraw/zinc/46/56/74/453465674.db2.gz BQHZQZQQQPSJNI-GOSISDBHSA-N 2 0 330.476 1.061 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](C)C1 ZINC000662743869 453470927 /nfs/dbraw/zinc/47/09/27/453470927.db2.gz ABUNHHNXPFKDDO-CZUORRHYSA-N 2 0 334.464 1.944 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662760599 453498378 /nfs/dbraw/zinc/49/83/78/453498378.db2.gz XXZOBABYCMAYJL-KRWDZBQOSA-N 2 0 342.487 1.184 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662762615 453500049 /nfs/dbraw/zinc/50/00/49/453500049.db2.gz XDBKHKQMGAYSGD-HOTGVXAUSA-N 2 0 346.479 1.197 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662779051 453515323 /nfs/dbraw/zinc/51/53/23/453515323.db2.gz HSSISXAUINSBDA-CQSZACIVSA-N 2 0 329.322 1.649 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)c1 ZINC000655447133 453534054 /nfs/dbraw/zinc/53/40/54/453534054.db2.gz RKOKYSOSICEYER-CRAIPNDOSA-N 2 0 330.432 1.129 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1([NH+]2CCOCC2)CCCC1 ZINC000655449449 453536641 /nfs/dbraw/zinc/53/66/41/453536641.db2.gz XJTYRFBYGBJTCO-JZXOWHBKSA-N 2 0 335.492 1.526 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662816693 453547587 /nfs/dbraw/zinc/54/75/87/453547587.db2.gz YKEVSFDVCBQQAV-UMVBOHGHSA-N 2 0 349.397 1.273 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662823029 453552592 /nfs/dbraw/zinc/55/25/92/453552592.db2.gz NIRHPEGAPUROSF-KRWDZBQOSA-N 2 0 340.427 1.840 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H]1CC[NH3+] ZINC000662829513 453555910 /nfs/dbraw/zinc/55/59/10/453555910.db2.gz MZLRQAZKYDXKGY-IIAWOOMASA-N 2 0 334.468 1.182 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000660740633 453557015 /nfs/dbraw/zinc/55/70/15/453557015.db2.gz RIZXJJFNRGYUGM-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000658973453 453557977 /nfs/dbraw/zinc/55/79/77/453557977.db2.gz QUNFDNPKJJHBLK-MJGOQNOKSA-N 2 0 344.503 1.785 20 0 EDADRP O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662832522 453558320 /nfs/dbraw/zinc/55/83/20/453558320.db2.gz ICRUAXZFCPRYEZ-HIFRSBDPSA-N 2 0 349.397 1.242 20 0 EDADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833763 453560563 /nfs/dbraw/zinc/56/05/63/453560563.db2.gz WAQLKMBVODJGCQ-MJGOQNOKSA-N 2 0 343.471 1.587 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000658979819 453561154 /nfs/dbraw/zinc/56/11/54/453561154.db2.gz AZPQGIXQPONMKE-UHFFFAOYSA-N 2 0 333.480 1.948 20 0 EDADRP C[C@@H]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000658999704 453574248 /nfs/dbraw/zinc/57/42/48/453574248.db2.gz NJDQFHZNGYTSMM-DOMZBBRYSA-N 2 0 347.463 1.438 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000662868550 453580235 /nfs/dbraw/zinc/58/02/35/453580235.db2.gz KLGRZXJYIPGPEV-DMUMMCEESA-N 2 0 343.471 1.647 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659021626 453584478 /nfs/dbraw/zinc/58/44/78/453584478.db2.gz HHAPWRKBCDUKQH-KRWDZBQOSA-N 2 0 332.448 1.864 20 0 EDADRP CC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659028848 453588359 /nfs/dbraw/zinc/58/83/59/453588359.db2.gz QOXKBGODTAFQRZ-KRWDZBQOSA-N 2 0 332.448 1.953 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000660828405 453591449 /nfs/dbraw/zinc/59/14/49/453591449.db2.gz CBWJLYLFHDETSJ-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659041697 453596261 /nfs/dbraw/zinc/59/62/61/453596261.db2.gz KTVRRCIXPZWGEG-IAGOWNOFSA-N 2 0 332.448 1.905 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000662924815 453608052 /nfs/dbraw/zinc/60/80/52/453608052.db2.gz IPXIVZCBITVPTK-UHFFFAOYSA-N 2 0 340.512 1.153 20 0 EDADRP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)ccn1 ZINC000665240140 453620221 /nfs/dbraw/zinc/62/02/21/453620221.db2.gz DJLBTQPAGUKUHF-WOJBJXKFSA-N 2 0 344.503 1.650 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240883 453620894 /nfs/dbraw/zinc/62/08/94/453620894.db2.gz VEVXAEXVZGFZLQ-KLIQENQMSA-N 3 0 333.476 1.095 20 0 EDADRP COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291066 453637805 /nfs/dbraw/zinc/63/78/05/453637805.db2.gz SYOISJFBMVCRNO-AWEZNQCLSA-N 2 0 334.395 1.517 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349182 453723950 /nfs/dbraw/zinc/72/39/50/453723950.db2.gz ALOYRIWDPMMAMC-UTJXIGIESA-N 2 0 337.414 1.915 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000659353445 453725243 /nfs/dbraw/zinc/72/52/43/453725243.db2.gz DDEMOVVWPFSCFL-HLNWXESRSA-N 2 0 343.471 1.647 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000659351691 453725298 /nfs/dbraw/zinc/72/52/98/453725298.db2.gz MPJBAUJYZDAEEI-DWRORGKVSA-N 2 0 331.435 1.777 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663234033 453741139 /nfs/dbraw/zinc/74/11/39/453741139.db2.gz MPDSPTFOWUHZAO-KRWDZBQOSA-N 2 0 338.496 1.369 20 0 EDADRP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000657349674 453771733 /nfs/dbraw/zinc/77/17/33/453771733.db2.gz VNLUNVKFRWDRRQ-SJORKVTESA-N 2 0 335.492 1.826 20 0 EDADRP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC000657354097 453773114 /nfs/dbraw/zinc/77/31/14/453773114.db2.gz PITLLCVDVSDFCM-SJORKVTESA-N 2 0 333.480 1.536 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H](CO)C1CCCCC1 ZINC000665638756 453777925 /nfs/dbraw/zinc/77/79/25/453777925.db2.gz AUQARNIGAQGLPY-DOTOQJQBSA-N 2 0 342.528 1.499 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661316903 453791123 /nfs/dbraw/zinc/79/11/23/453791123.db2.gz YMOICXRHUNJWIG-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361426 453799803 /nfs/dbraw/zinc/79/98/03/453799803.db2.gz MCGMCXPOZNNRIT-JONQDZQNSA-N 2 0 326.485 1.268 20 0 EDADRP CO[C@]1(CO)CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000661390941 453805804 /nfs/dbraw/zinc/80/58/04/453805804.db2.gz ZSVDTXXIUOKVPL-LJQANCHMSA-N 2 0 334.460 1.492 20 0 EDADRP CN(c1ccccc1)[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663499983 453811048 /nfs/dbraw/zinc/81/10/48/453811048.db2.gz HOKNDLFKNVIXKB-AEFFLSMTSA-N 2 0 330.476 1.394 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(OC)c2F)CC1 ZINC000663505848 453811823 /nfs/dbraw/zinc/81/18/23/453811823.db2.gz NTLMQEBZPUMTIE-UHFFFAOYSA-N 2 0 337.439 1.915 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662802319 486661736 /nfs/dbraw/zinc/66/17/36/486661736.db2.gz NLWJCNJNKNXRNS-QZTJIDSGSA-N 2 0 346.475 1.519 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417029402 486791788 /nfs/dbraw/zinc/79/17/88/486791788.db2.gz VQCKKGBGDLSQJD-UHFFFAOYSA-N 2 0 333.480 1.060 20 0 EDADRP c1cc(CN2CC[NH+](C[C@@H]3CCCO3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667480959 486800007 /nfs/dbraw/zinc/80/00/07/486800007.db2.gz BPGBJSPTSDCRFG-SFHVURJKSA-N 2 0 327.432 1.564 20 0 EDADRP c1cc(CN2CCN(CC[NH+]3CCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667483640 486801774 /nfs/dbraw/zinc/80/17/74/486801774.db2.gz MSSXVPWSGYICCI-UHFFFAOYSA-N 2 0 340.475 1.481 20 0 EDADRP O=C(NCC(F)(F)F)C1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667531040 486826206 /nfs/dbraw/zinc/82/62/06/486826206.db2.gz UJFJEVCEWXKZKR-UHFFFAOYSA-N 2 0 330.354 1.720 20 0 EDADRP C[C@@H](C(=O)NCC[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1)[NH+](C)C ZINC000680597575 486823922 /nfs/dbraw/zinc/82/39/22/486823922.db2.gz PPOGQQQYKZBYLN-ZOBUZTSGSA-N 2 0 348.491 1.250 20 0 EDADRP C[NH+](C)CC1(C(=O)NCCCN2CCC[N@H+](C)CC2)CCCCC1 ZINC000683850439 486839222 /nfs/dbraw/zinc/83/92/22/486839222.db2.gz FGOUKPFZFBMDGN-UHFFFAOYSA-N 2 0 338.540 1.642 20 0 EDADRP Cn1ncc(C2CCC2)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000667562028 486847352 /nfs/dbraw/zinc/84/73/52/486847352.db2.gz QJHVZBIWWDWTFF-UHFFFAOYSA-N 2 0 347.507 1.577 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc2c[nH]nc2c1 ZINC000673070088 486901617 /nfs/dbraw/zinc/90/16/17/486901617.db2.gz RCMBZFPBDMTJRV-UHFFFAOYSA-N 2 0 346.479 1.240 20 0 EDADRP CCC[NH+]1CCN(c2nccnc2N2CC[NH+](CCC)CC2)CC1 ZINC000680953441 486906546 /nfs/dbraw/zinc/90/65/46/486906546.db2.gz MXOBUYWOCHGKPW-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC2(CC2)C1 ZINC000667680842 486911320 /nfs/dbraw/zinc/91/13/20/486911320.db2.gz UAZFEOLNNZSKMR-UHFFFAOYSA-N 2 0 328.460 1.900 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667706813 486927495 /nfs/dbraw/zinc/92/74/95/486927495.db2.gz IXDVQHMLANDQGM-QRQLOZEOSA-N 2 0 341.459 1.951 20 0 EDADRP COC1CC[NH+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000667741441 486941884 /nfs/dbraw/zinc/94/18/84/486941884.db2.gz QFKHBIGIZVIVMR-UHFFFAOYSA-N 2 0 332.448 1.565 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667764402 486955729 /nfs/dbraw/zinc/95/57/29/486955729.db2.gz YQORMEXIBXMDGY-PMACEKPBSA-N 2 0 329.488 1.961 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CO[C@H](C4CC4)C3)cn2)CC1 ZINC000667787857 486964642 /nfs/dbraw/zinc/96/46/42/486964642.db2.gz BEPCRBJVXFNYTI-MSOLQXFVSA-N 2 0 330.476 1.881 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000667795444 486968684 /nfs/dbraw/zinc/96/86/84/486968684.db2.gz CRGMFHIDAIAPKK-INIZCTEOSA-N 2 0 329.448 1.819 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NC[C@H]2CNc3ccnn3C2)CC1 ZINC000677150590 486986124 /nfs/dbraw/zinc/98/61/24/486986124.db2.gz QAJNKTBHGITQJH-AWEZNQCLSA-N 2 0 327.436 1.184 20 0 EDADRP CC[NH+]1CCN(c2nc(N3CC[N@@H+](CC)[C@@H](C)C3)ncc2C)C[C@@H]1C ZINC000677153820 486987020 /nfs/dbraw/zinc/98/70/20/486987020.db2.gz WIPKSKOGYACEAC-IRXDYDNUSA-N 2 0 346.523 1.846 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000673446223 487003297 /nfs/dbraw/zinc/00/32/97/487003297.db2.gz MQTLVCQIYSZEDT-IBGZPJMESA-N 2 0 344.503 1.648 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667915025 487019304 /nfs/dbraw/zinc/01/93/04/487019304.db2.gz YAJAJWVFRAGKAP-GBESFXJTSA-N 2 0 345.487 1.433 20 0 EDADRP C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000673979348 487175129 /nfs/dbraw/zinc/17/51/29/487175129.db2.gz FYBOVWZZKQONMT-CJNGLKHVSA-N 2 0 328.526 1.453 20 0 EDADRP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470505 487280180 /nfs/dbraw/zinc/28/01/80/487280180.db2.gz YWHIXCHOAGGRLS-CJNGLKHVSA-N 2 0 325.478 1.830 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)COCC2 ZINC000682231311 487327303 /nfs/dbraw/zinc/32/73/03/487327303.db2.gz BEWFLTYDXLUFKO-UHFFFAOYSA-N 2 0 335.452 1.111 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000675183354 487386055 /nfs/dbraw/zinc/38/60/55/487386055.db2.gz ZNPAZRCVSYSHJR-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000679168035 487397023 /nfs/dbraw/zinc/39/70/23/487397023.db2.gz ZQHLCTTTXGBFAS-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP Cc1nn(C)cc1[C@H]1CCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000675250683 487393292 /nfs/dbraw/zinc/39/32/92/487393292.db2.gz JPUOWLYVNCJNSS-GOSISDBHSA-N 2 0 345.491 1.608 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000675855466 487452951 /nfs/dbraw/zinc/45/29/51/487452951.db2.gz ZWWCQRAMZXLRGN-GDBMZVCRSA-N 2 0 330.476 1.684 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NCC1C[NH2+]C1 ZINC000669533111 485509960 /nfs/dbraw/zinc/50/99/60/485509960.db2.gz QEQKQDNHMPZOMS-HUUCEWRRSA-N 2 0 330.476 1.662 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000669557872 485563805 /nfs/dbraw/zinc/56/38/05/485563805.db2.gz JVKBIZLDLSZIJG-NYLIBXOJSA-N 2 0 340.471 1.414 20 0 EDADRP CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000669182741 485782510 /nfs/dbraw/zinc/78/25/10/485782510.db2.gz MBYSXYGUQVAJPO-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000669283195 485924297 /nfs/dbraw/zinc/92/42/97/485924297.db2.gz ISWMQVXPKWSEMW-BRWVUGGUSA-N 2 0 340.512 1.501 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000344431147 485947216 /nfs/dbraw/zinc/94/72/16/485947216.db2.gz COJLPYMMOGBPSB-FGTMMUONSA-N 2 0 347.507 1.494 20 0 EDADRP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)CC2 ZINC000346030517 485987066 /nfs/dbraw/zinc/98/70/66/485987066.db2.gz FORJIMAQHAXBFN-MSOLQXFVSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCO1 ZINC000668654361 485999685 /nfs/dbraw/zinc/99/96/85/485999685.db2.gz WFIYKDYQGSCAOT-VBNZEHGJSA-N 2 0 338.427 1.186 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000669365904 486013271 /nfs/dbraw/zinc/01/32/71/486013271.db2.gz TVGVCQXUDOZKFR-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1onc2c1CCCC2 ZINC000668667433 486017839 /nfs/dbraw/zinc/01/78/39/486017839.db2.gz YHWDLFALYRDIMO-UHFFFAOYSA-N 2 0 336.480 1.899 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000669398763 486059395 /nfs/dbraw/zinc/05/93/95/486059395.db2.gz LXJJFUREGXPDNJ-VBNZEHGJSA-N 2 0 338.427 1.186 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[C@H]1[NH3+] ZINC000669400976 486065300 /nfs/dbraw/zinc/06/53/00/486065300.db2.gz SUTLCPDNVHTLPP-KZNAEPCWSA-N 2 0 332.492 1.928 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000668813895 486222325 /nfs/dbraw/zinc/22/23/25/486222325.db2.gz AFIUMDXTWYODNV-YJBOKZPZSA-N 2 0 346.475 1.540 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000669508633 486291821 /nfs/dbraw/zinc/29/18/21/486291821.db2.gz FMCVZIGUPSAIPQ-DLBZAZTESA-N 2 0 325.412 1.526 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000669509645 486292674 /nfs/dbraw/zinc/29/26/74/486292674.db2.gz KWWKKBQDPLFNSM-DZGCQCFKSA-N 2 0 340.265 1.881 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668930864 486355497 /nfs/dbraw/zinc/35/54/97/486355497.db2.gz BINHVAFKRLKPCZ-OAGGEKHMSA-N 2 0 348.495 1.271 20 0 EDADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668934981 486361583 /nfs/dbraw/zinc/36/15/83/486361583.db2.gz WLLAKAQRIHXPNM-CVEARBPZSA-N 2 0 348.495 1.129 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CN(C)CCO1 ZINC000090574452 491199543 /nfs/dbraw/zinc/19/95/43/491199543.db2.gz OOBMSKOHIFUILD-FCEWJHQRSA-N 2 0 335.492 1.997 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CNC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000131467169 491212907 /nfs/dbraw/zinc/21/29/07/491212907.db2.gz GTWSGABXCYWLAZ-HXUWFJFHSA-N 2 0 348.535 1.621 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000080073370 491170521 /nfs/dbraw/zinc/17/05/21/491170521.db2.gz RHZPMTNGQAXYNH-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000162653230 533825116 /nfs/dbraw/zinc/82/51/16/533825116.db2.gz SSJGBSNNNBKIAG-QFBILLFUSA-N 2 0 345.487 1.913 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](Cc2ccncc2)CC1)c1ccccc1 ZINC000178694984 534656783 /nfs/dbraw/zinc/65/67/83/534656783.db2.gz WQHPJZUHNSEWGW-LJQANCHMSA-N 2 0 338.455 1.905 20 0 EDADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188729793 527025233 /nfs/dbraw/zinc/02/52/33/527025233.db2.gz MGFHRVQSXOVWCD-HNNXBMFYSA-N 2 0 339.443 1.450 20 0 EDADRP CC(C)NC(=O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132787082 529132418 /nfs/dbraw/zinc/13/24/18/529132418.db2.gz IHIJLADGKCDGCX-UHFFFAOYSA-N 2 0 332.492 1.831 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C2CCC2)C1 ZINC000245994442 535110772 /nfs/dbraw/zinc/11/07/72/535110772.db2.gz AYUIADWSSXDHCE-ROUUACIJSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2ccncc2)C1 ZINC000246088011 535119223 /nfs/dbraw/zinc/11/92/23/535119223.db2.gz ITCPCBLLADEQBP-NVXWUHKLSA-N 2 0 334.464 1.205 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000340491515 535639041 /nfs/dbraw/zinc/63/90/41/535639041.db2.gz QVHLRGKHHYRCSE-HNNXBMFYSA-N 2 0 348.491 1.211 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339739704 535639867 /nfs/dbraw/zinc/63/98/67/535639867.db2.gz FMDZHOOOIDTQQU-HNNXBMFYSA-N 2 0 348.491 1.211 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339619237 535668118 /nfs/dbraw/zinc/66/81/18/535668118.db2.gz PYCAEVIDRIRECO-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000261744755 535670889 /nfs/dbraw/zinc/67/08/89/535670889.db2.gz UBMXEXSXKGIHCX-QGZVFWFLSA-N 2 0 333.476 1.941 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000248557053 535735015 /nfs/dbraw/zinc/73/50/15/535735015.db2.gz IKDGIUCISHMUQO-UXHICEINSA-N 2 0 331.504 1.692 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCCOCC[NH+](C)C)cc2)CC1 ZINC000345947572 535744872 /nfs/dbraw/zinc/74/48/72/535744872.db2.gz DGNLQQICNUKOSB-UHFFFAOYSA-N 2 0 348.491 1.137 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)[NH2+]C)CC1 ZINC000270488061 535755418 /nfs/dbraw/zinc/75/54/18/535755418.db2.gz JRLPAZRXFXSABH-UHFFFAOYSA-N 2 0 333.480 1.948 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262550092 535771898 /nfs/dbraw/zinc/77/18/98/535771898.db2.gz SWOBOOOQEJEBFJ-SQNIBIBYSA-N 2 0 331.460 1.080 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1)C(C)C ZINC000236994598 535782737 /nfs/dbraw/zinc/78/27/37/535782737.db2.gz LCZMBYDGXBGKDV-UHFFFAOYSA-N 2 0 346.519 1.942 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[NH2+]C3)nc2)CC1 ZINC000262637318 536114486 /nfs/dbraw/zinc/11/44/86/536114486.db2.gz IJSBTJOQMVHLGY-AWEZNQCLSA-N 2 0 331.464 1.550 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@](C)(C[NH3+])C3CC3)c2)CC1 ZINC000237218993 536416558 /nfs/dbraw/zinc/41/65/58/536416558.db2.gz VSSZNVIAUFSHMM-LJQANCHMSA-N 2 0 330.476 1.291 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C[NH3+])CCOCC1 ZINC000262121645 536433668 /nfs/dbraw/zinc/43/36/68/536433668.db2.gz FYTJMCYFSBIGES-SFHVURJKSA-N 2 0 345.487 1.722 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000237268473 536466956 /nfs/dbraw/zinc/46/69/56/536466956.db2.gz JISLMPAZLPEWFT-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1SC ZINC000347112671 536755538 /nfs/dbraw/zinc/75/55/38/536755538.db2.gz RNUKXXLWGYMIDL-AWEZNQCLSA-N 2 0 337.489 1.704 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000261793188 536769734 /nfs/dbraw/zinc/76/97/34/536769734.db2.gz ZDNSYDRCQGCAIM-AWEZNQCLSA-N 2 0 341.402 1.776 20 0 EDADRP CCC[NH+]1CCN(c2ccnc(N3CC[NH+](CCC)CC3)n2)CC1 ZINC000727643811 578536572 /nfs/dbraw/zinc/53/65/72/578536572.db2.gz NHUGWOMZNJEKDG-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP CCOCCN1CCN(C(=S)NC[C@@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC000735240815 578871092 /nfs/dbraw/zinc/87/10/92/578871092.db2.gz FGKNWXGRDXVAFT-HOTGVXAUSA-N 2 0 342.553 1.388 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cccc(-c4nn[nH]n4)c3)C2)CC1 ZINC000736851855 579026475 /nfs/dbraw/zinc/02/64/75/579026475.db2.gz LZAKHQYSNDAKGE-INIZCTEOSA-N 2 0 341.463 1.125 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=S)NCC2CC[NH+](C)CC2)CCCO1 ZINC000761551517 580059134 /nfs/dbraw/zinc/05/91/34/580059134.db2.gz RAOCAGXMKORVBM-OAHLLOKOSA-N 2 0 342.553 1.293 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000754711260 579909867 /nfs/dbraw/zinc/90/98/67/579909867.db2.gz KVWJPDCEQKHJFL-UONOGXRCSA-N 2 0 334.489 1.555 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000757228738 579965936 /nfs/dbraw/zinc/96/59/36/579965936.db2.gz DPCKJDBZZUZQIJ-OAHLLOKOSA-N 2 0 336.484 1.544 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000763121176 580093426 /nfs/dbraw/zinc/09/34/26/580093426.db2.gz LSFHAOSBZQMSHN-SFHVURJKSA-N 2 0 340.512 1.399 20 0 EDADRP CC(C)(C)[C@]1(C)NC(=O)N(CN2CCC[C@H](n3ccnc3)C2)C1=O ZINC000773300606 580332966 /nfs/dbraw/zinc/33/29/66/580332966.db2.gz ANQRBZQWFHLSPX-SUMWQHHRSA-N 2 0 333.436 1.834 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792409 580679400 /nfs/dbraw/zinc/67/94/00/580679400.db2.gz IFCOPAMNKBYVQS-HNNXBMFYSA-N 2 0 334.464 1.835 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC1 ZINC000788470795 580722111 /nfs/dbraw/zinc/72/21/11/580722111.db2.gz NSRYTQGILKCSDI-UHFFFAOYSA-N 2 0 345.443 1.515 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795939607 580941816 /nfs/dbraw/zinc/94/18/16/580941816.db2.gz SJUDLKZXIGGWLX-KRWDZBQOSA-N 2 0 326.481 1.746 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNc2cc[nH+]cc2CO)CC1 ZINC000891807056 590629644 /nfs/dbraw/zinc/62/96/44/590629644.db2.gz IZTPOIFAIKDTJK-UHFFFAOYSA-N 2 0 340.471 1.745 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000891818800 590636162 /nfs/dbraw/zinc/63/61/62/590636162.db2.gz YKDYNLDMGKOEEK-JQHSSLGASA-N 2 0 330.476 1.934 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCC1 ZINC000891852432 590654841 /nfs/dbraw/zinc/65/48/41/590654841.db2.gz YXAPXOXXEWFMJG-ZDUSSCGKSA-N 2 0 332.439 1.652 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000891864100 590661552 /nfs/dbraw/zinc/66/15/52/590661552.db2.gz GIUBXFLSLOIBLZ-JOTXSSJUSA-N 2 0 348.413 1.923 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893106340 590664756 /nfs/dbraw/zinc/66/47/56/590664756.db2.gz PHOZZGYJFKXVNU-CABCVRRESA-N 2 0 330.444 1.445 20 0 EDADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892019704 590750693 /nfs/dbraw/zinc/75/06/93/590750693.db2.gz RIXHDOFLJIDMBS-ZWKOTPCHSA-N 2 0 348.491 1.478 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)C2)cc1 ZINC000892095941 590795514 /nfs/dbraw/zinc/79/55/14/590795514.db2.gz ZBWKZMULPBZVLU-SZMVWBNQSA-N 2 0 330.476 1.867 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H]1OC ZINC000893351294 590797403 /nfs/dbraw/zinc/79/74/03/590797403.db2.gz AOKCSRLROLOVLS-KZNAEPCWSA-N 2 0 349.475 1.260 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000892120884 590810337 /nfs/dbraw/zinc/81/03/37/590810337.db2.gz XGNWIQFAYMDWQL-UKRRQHHQSA-N 2 0 338.402 1.417 20 0 EDADRP C[C@@H]1CN(Cc2cnn(C)c2C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892152367 590824139 /nfs/dbraw/zinc/82/41/39/590824139.db2.gz GWXWBGFGZIVBEM-CRAIPNDOSA-N 2 0 331.508 1.755 20 0 EDADRP [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156686 590828476 /nfs/dbraw/zinc/82/84/76/590828476.db2.gz RCSYNFLBFWQBFI-ZDUSSCGKSA-N 2 0 346.809 1.808 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000892169144 590840338 /nfs/dbraw/zinc/84/03/38/590840338.db2.gz INFKVSKWGXWWLL-CVEARBPZSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000893397653 590840484 /nfs/dbraw/zinc/84/04/84/590840484.db2.gz COKMXYWRQWLFHW-KRWDZBQOSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000892176160 590845919 /nfs/dbraw/zinc/84/59/19/590845919.db2.gz RPLMBWCFILQQAE-GOSISDBHSA-N 2 0 343.471 1.750 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000892184029 590852643 /nfs/dbraw/zinc/85/26/43/590852643.db2.gz NTCDNIQXNLZBBW-USXIJHARSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C2 ZINC000892257637 590890249 /nfs/dbraw/zinc/89/02/49/590890249.db2.gz OICVYLLFIAQPFW-KNIMUDFMSA-N 2 0 346.450 1.522 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[NH+](C)C)cc1 ZINC000892410213 591016735 /nfs/dbraw/zinc/01/67/35/591016735.db2.gz QBQNWHJQQZZZOH-BZSNNMDCSA-N 2 0 330.476 1.943 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000892529763 591060264 /nfs/dbraw/zinc/06/02/64/591060264.db2.gz AJFKNEGJWHQBPE-MSOLQXFVSA-N 2 0 330.476 1.963 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CCCO[C@H](C[NH3+])C3)C2)cc1 ZINC000892529936 591060366 /nfs/dbraw/zinc/06/03/66/591060366.db2.gz GBKIKSHAMMQXFL-QZTJIDSGSA-N 2 0 346.475 1.329 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893741916 591072306 /nfs/dbraw/zinc/07/23/06/591072306.db2.gz WKBSWYGYLFANIY-IRXDYDNUSA-N 2 0 340.512 1.442 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000891447422 591074667 /nfs/dbraw/zinc/07/46/67/591074667.db2.gz VZXAIXIITFTLMD-ZAAXVRCTSA-N 2 0 342.487 1.684 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000840883057 591082207 /nfs/dbraw/zinc/08/22/07/591082207.db2.gz SFSRWKXCQRRBNC-AWEZNQCLSA-N 2 0 340.489 1.855 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587378 591082396 /nfs/dbraw/zinc/08/23/96/591082396.db2.gz LUTSQKAJWPFLDI-BCDXTJNWSA-N 2 0 330.476 1.730 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000891479179 591088672 /nfs/dbraw/zinc/08/86/72/591088672.db2.gz PWZCDQGVZLHSEY-OLZOCXBDSA-N 2 0 336.402 1.497 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000891501366 591096867 /nfs/dbraw/zinc/09/68/67/591096867.db2.gz CWRNESLLXALJKF-KBAYOESNSA-N 2 0 345.491 1.012 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891515467 591102281 /nfs/dbraw/zinc/10/22/81/591102281.db2.gz AVXGMGVKFHYFOH-ZIAGYGMSSA-N 2 0 332.439 1.651 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000891514617 591104136 /nfs/dbraw/zinc/10/41/36/591104136.db2.gz VITCTKCFGKAMCM-HOCLYGCPSA-N 2 0 334.464 1.301 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891536611 591113644 /nfs/dbraw/zinc/11/36/44/591113644.db2.gz DNCDKJVJUJQUQK-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)[NH+](C)C)c1 ZINC000891539364 591116300 /nfs/dbraw/zinc/11/63/00/591116300.db2.gz RUISJKWVGTYJKG-NJAFHUGGSA-N 2 0 346.475 1.643 20 0 EDADRP C[NH+]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876990 591125526 /nfs/dbraw/zinc/12/55/26/591125526.db2.gz DHGCYDXXIQLEOY-XMTFNYHQSA-N 2 0 328.460 1.635 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561131 591125951 /nfs/dbraw/zinc/12/59/51/591125951.db2.gz URVPGOSCMWQUBG-CVEARBPZSA-N 3 0 337.512 1.068 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000891563924 591127361 /nfs/dbraw/zinc/12/73/61/591127361.db2.gz DXYWLCPKYQLAHW-UHIISALHSA-N 2 0 326.391 1.699 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC23CC[NH+](C)CC3)CC1 ZINC000892686764 591130234 /nfs/dbraw/zinc/13/02/34/591130234.db2.gz NISNFTUHBAKTSQ-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891574891 591131334 /nfs/dbraw/zinc/13/13/34/591131334.db2.gz IQMNMOIMILAWDK-USXIJHARSA-N 2 0 336.480 1.023 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000891597373 591141948 /nfs/dbraw/zinc/14/19/48/591141948.db2.gz NSZYWWWIRLLSQU-ROUUACIJSA-N 2 0 342.487 1.622 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000892780609 591172981 /nfs/dbraw/zinc/17/29/81/591172981.db2.gz SMIJMCKJRUIRCV-OWCLPIDISA-N 2 0 338.496 1.269 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892785110 591176213 /nfs/dbraw/zinc/17/62/13/591176213.db2.gz YAZFKZYNCTTYAL-MRXNPFEDSA-N 2 0 338.496 1.128 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673464 591180108 /nfs/dbraw/zinc/18/01/08/591180108.db2.gz NILWKYKIQYHYQO-LBPRGKRZSA-N 2 0 337.493 1.544 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)NCCc2cn3ccccc3n2)C1 ZINC000891719385 591197903 /nfs/dbraw/zinc/19/79/03/591197903.db2.gz RCPCZLSMDYTWCK-UHFFFAOYSA-N 2 0 329.448 1.908 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891747261 591208827 /nfs/dbraw/zinc/20/88/27/591208827.db2.gz MKMDXGSZEXBTQE-IYBDPMFKSA-N 2 0 329.448 1.444 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892878643 591211322 /nfs/dbraw/zinc/21/13/22/591211322.db2.gz ADTCRPOPUPEXFX-OCCSQVGLSA-N 2 0 349.504 1.639 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000892883751 591216308 /nfs/dbraw/zinc/21/63/08/591216308.db2.gz FCLDHHSYKUWSKF-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP CN(C)C(=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894210009 591231168 /nfs/dbraw/zinc/23/11/68/591231168.db2.gz BLTASNGZNJEVHF-UHFFFAOYSA-N 2 0 343.374 1.638 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000892944850 591233360 /nfs/dbraw/zinc/23/33/60/591233360.db2.gz OZPCAUZFFGTBQT-IXDOHACOSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000895653338 591244474 /nfs/dbraw/zinc/24/44/74/591244474.db2.gz GIXRWVDEBVGQNC-DNVCBOLYSA-N 2 0 343.471 1.270 20 0 EDADRP C[C@H](O)CNc1cc(N[C@H](CC[NH+](C)C)c2cccnc2)ncn1 ZINC000895892422 591298476 /nfs/dbraw/zinc/29/84/76/591298476.db2.gz PNCUCHVSJUYILY-DZGCQCFKSA-N 2 0 330.436 1.769 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000897454076 591459662 /nfs/dbraw/zinc/45/96/62/591459662.db2.gz ACTFOLQVVRSLTB-MAUKXSAKSA-N 2 0 348.491 1.939 20 0 EDADRP CC(C)c1cc(N(C)CC(=O)N2CCN(C)CC2)nc(C(C)C)n1 ZINC000894956565 591491991 /nfs/dbraw/zinc/49/19/91/591491991.db2.gz BCKKWYGAEUSVPB-UHFFFAOYSA-N 2 0 333.480 1.934 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000896608926 591550906 /nfs/dbraw/zinc/55/09/06/591550906.db2.gz JJCZGQQFTWNYHW-QXSJWSMHSA-N 2 0 338.521 1.444 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000897559952 591553751 /nfs/dbraw/zinc/55/37/51/591553751.db2.gz FTRKEUQSGQTIBX-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[NH+](C)C)c1 ZINC000895461907 591765591 /nfs/dbraw/zinc/76/55/91/591765591.db2.gz QRJHJCSJYLHQGZ-SJLPKXTDSA-N 2 0 347.459 1.135 20 0 EDADRP C[C@@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602880 591815367 /nfs/dbraw/zinc/81/53/67/591815367.db2.gz FJIHXFZOOATHFH-HRCADAONSA-N 2 0 340.512 1.515 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000895603639 591815789 /nfs/dbraw/zinc/81/57/89/591815789.db2.gz QVOPNUYKWWGYIM-YSHGAJCASA-N 2 0 344.503 1.971 20 0 EDADRP Cc1ncccc1CC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000898256084 591855014 /nfs/dbraw/zinc/85/50/14/591855014.db2.gz RICVWNAENMHDSJ-UHFFFAOYSA-N 2 0 332.492 1.319 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000900106621 591909407 /nfs/dbraw/zinc/90/94/07/591909407.db2.gz PHPAEOUMQHZYPE-ICSRJNTNSA-N 2 0 345.487 1.787 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC([NH+]2CCOCC2)CC1 ZINC000900214139 591944970 /nfs/dbraw/zinc/94/49/70/591944970.db2.gz AQJCVPFKTWOCGD-HIEASXQVSA-N 2 0 335.492 1.620 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000900227441 591956086 /nfs/dbraw/zinc/95/60/86/591956086.db2.gz QLEILOJFZCKEAL-QZTJIDSGSA-N 2 0 335.492 1.574 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000900272551 591975263 /nfs/dbraw/zinc/97/52/63/591975263.db2.gz RKEPGJJLVLSRFP-HKUYNNGSSA-N 2 0 349.450 1.361 20 0 EDADRP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902500302 592003313 /nfs/dbraw/zinc/00/33/13/592003313.db2.gz FLKJTPNZCZDJBQ-QRTARXTBSA-N 2 0 338.473 1.655 20 0 EDADRP CCn1cnc(CNc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000902594943 592016132 /nfs/dbraw/zinc/01/61/32/592016132.db2.gz XKLLVDKFJPKOKD-UHFFFAOYSA-N 2 0 327.432 1.903 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000900477328 592028886 /nfs/dbraw/zinc/02/88/86/592028886.db2.gz CFSIWMYJBJKQIH-AUUYWEPGSA-N 2 0 348.491 1.458 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000900518907 592043794 /nfs/dbraw/zinc/04/37/94/592043794.db2.gz UCMDKJRAQYHQHV-PMPSAXMXSA-N 2 0 325.522 1.947 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC(Oc3ccncc3)C2)CC1 ZINC000900539547 592051050 /nfs/dbraw/zinc/05/10/50/592051050.db2.gz UFMYGBZHZKFIID-UHFFFAOYSA-N 2 0 346.475 1.477 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)c1 ZINC000900585313 592070338 /nfs/dbraw/zinc/07/03/38/592070338.db2.gz YHWJUYHZDFGCPG-RDJZCZTQSA-N 2 0 344.459 1.756 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)ccn1 ZINC000902889248 592080024 /nfs/dbraw/zinc/08/00/24/592080024.db2.gz FIIVLZZZYSSDIV-AEXBHSQCSA-N 2 0 331.460 1.925 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900686097 592094040 /nfs/dbraw/zinc/09/40/40/592094040.db2.gz DSGLQLNHNCWCJR-FUHWJXTLSA-N 2 0 325.497 1.412 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000900725350 592105477 /nfs/dbraw/zinc/10/54/77/592105477.db2.gz KCALDCQPDSDGPL-GOSISDBHSA-N 2 0 338.540 1.593 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076323 592116174 /nfs/dbraw/zinc/11/61/74/592116174.db2.gz NGVDWAFGMHPWDF-ZIAGYGMSSA-N 2 0 327.469 1.479 20 0 EDADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903105328 592120853 /nfs/dbraw/zinc/12/08/53/592120853.db2.gz BADQFXKLCKHJAV-UXHICEINSA-N 2 0 346.471 1.681 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)C2 ZINC000903112778 592122894 /nfs/dbraw/zinc/12/28/94/592122894.db2.gz QKDHBTAGSZOGDD-NPAJJYGASA-N 2 0 334.504 1.869 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130589 592125151 /nfs/dbraw/zinc/12/51/51/592125151.db2.gz LATQNWNPMWUVOD-RRCSTGOVSA-N 2 0 333.480 1.694 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N(CC[NH+]2CCCC2)c2ccccc2)C1 ZINC000900792416 592125347 /nfs/dbraw/zinc/12/53/47/592125347.db2.gz GCJDMCCYNMFHSX-HXUWFJFHSA-N 2 0 345.487 1.962 20 0 EDADRP C([C@@H]1CCCO1)N1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000903269792 592149242 /nfs/dbraw/zinc/14/92/42/592149242.db2.gz BORJBRAKOVAITE-RCCFBDPRSA-N 2 0 339.549 1.799 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1 ZINC000903441275 592170310 /nfs/dbraw/zinc/17/03/10/592170310.db2.gz KVLSGAMIQQHYTJ-GOEBONIOSA-N 2 0 334.439 1.509 20 0 EDADRP CN(C(=O)CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1)C1CCCCC1 ZINC000903442609 592172284 /nfs/dbraw/zinc/17/22/84/592172284.db2.gz UFUWBQOEMXYQTL-SJORKVTESA-N 2 0 336.524 1.523 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903513235 592191670 /nfs/dbraw/zinc/19/16/70/592191670.db2.gz ZDKIFSZQCQJTTE-QRQLOZEOSA-N 2 0 348.535 1.678 20 0 EDADRP O=S(=O)(c1ccsc1)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562834 592210729 /nfs/dbraw/zinc/21/07/29/592210729.db2.gz WFGFJHWMAMOJAO-OKILXGFUSA-N 2 0 341.502 1.337 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906648287 592232915 /nfs/dbraw/zinc/23/29/15/592232915.db2.gz INKQDMRDIXULIN-CYBMUJFWSA-N 2 0 334.464 1.665 20 0 EDADRP COc1ccc(-n2ccc(C[NH2+]C3CCN(CC[NH3+])CC3)n2)cc1 ZINC000904367980 592239307 /nfs/dbraw/zinc/23/93/07/592239307.db2.gz LUFKQMZXBRVKNT-UHFFFAOYSA-N 2 0 329.448 1.394 20 0 EDADRP Cc1ccc(CN2CC[C@@H]([NH2+]C3CCN(CC[NH3+])CC3)C2=O)cc1 ZINC000904369620 592240436 /nfs/dbraw/zinc/24/04/36/592240436.db2.gz ZQXGCNDAEQXJCB-GOSISDBHSA-N 2 0 330.476 1.109 20 0 EDADRP CN1c2ccc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2CCC1=O ZINC000904392909 592242830 /nfs/dbraw/zinc/24/28/30/592242830.db2.gz CYYMLFGSGZOAHJ-QGZVFWFLSA-N 2 0 343.471 1.925 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000904376563 592245333 /nfs/dbraw/zinc/24/53/33/592245333.db2.gz BXASOJDMIYATOL-KRWDZBQOSA-N 3 0 332.492 1.901 20 0 EDADRP C[C@]1(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377733 592245466 /nfs/dbraw/zinc/24/54/66/592245466.db2.gz XJWPBKABNOMEQV-AABGKKOBSA-N 2 0 329.488 1.961 20 0 EDADRP C[C@@]1(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378935 592245491 /nfs/dbraw/zinc/24/54/91/592245491.db2.gz MWGFNTZATSUOJN-QFBILLFUSA-N 2 0 346.523 1.388 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000906678977 592260100 /nfs/dbraw/zinc/26/01/00/592260100.db2.gz RDMOTKZYWFIIKG-OAHLLOKOSA-N 2 0 344.459 1.322 20 0 EDADRP CN1CCn2nc(NC(=O)N3CCCC[C@@H]3C3(C[NH3+])CCC3)cc2C1 ZINC000904541410 592284187 /nfs/dbraw/zinc/28/41/87/592284187.db2.gz YKPFXADLBPOYNK-OAHLLOKOSA-N 2 0 346.479 1.844 20 0 EDADRP CCOc1ccccc1N1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732345 592288240 /nfs/dbraw/zinc/28/82/40/592288240.db2.gz DMEFUCHGDYBNHE-YLJYHZDGSA-N 2 0 345.487 1.976 20 0 EDADRP Cc1ccccc1C[NH+]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732966 592289458 /nfs/dbraw/zinc/28/94/58/592289458.db2.gz IMTGYOYYFFMJQC-WOJBJXKFSA-N 2 0 329.488 1.881 20 0 EDADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753573 592297122 /nfs/dbraw/zinc/29/71/22/592297122.db2.gz WKSMYIHECWNQNR-RLFYNMQTSA-N 2 0 331.464 1.630 20 0 EDADRP COCCCOC1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734464 592297565 /nfs/dbraw/zinc/29/75/65/592297565.db2.gz RHHZLKSJEDLSJT-KRWDZBQOSA-N 2 0 326.481 1.663 20 0 EDADRP C[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)C1CCN(CCn2cccn2)CC1 ZINC000903740005 592302001 /nfs/dbraw/zinc/30/20/01/592302001.db2.gz BXIJAVGSDFMTKI-MOPGFXCFSA-N 2 0 347.507 1.048 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904644615 592303382 /nfs/dbraw/zinc/30/33/82/592303382.db2.gz QMCNUDTWPHPKIQ-UHFFFAOYSA-N 2 0 333.480 1.683 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000903763233 592307474 /nfs/dbraw/zinc/30/74/74/592307474.db2.gz IXAUQAGYAHOXSV-TVFCKZIOSA-N 3 0 337.508 1.363 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1 ZINC000903813444 592330420 /nfs/dbraw/zinc/33/04/20/592330420.db2.gz GKAIHFRMAMQEMY-CVEARBPZSA-N 2 0 343.537 1.642 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CCCC[C@H]2C2(C[NH3+])CCC2)C1=O ZINC000903813535 592331168 /nfs/dbraw/zinc/33/11/68/592331168.db2.gz GNZJOBAZKCIWIJ-AWEZNQCLSA-N 2 0 336.480 1.690 20 0 EDADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccc(F)cc1 ZINC000903813926 592332085 /nfs/dbraw/zinc/33/20/85/592332085.db2.gz CRFYQBCVQTXWMH-UHFFFAOYSA-N 2 0 335.423 1.999 20 0 EDADRP CCOc1ccc(CN(C)C(=O)CN2CC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903852687 592345614 /nfs/dbraw/zinc/34/56/14/592345614.db2.gz BTBYSQOHIQAMRM-LPHOPBHVSA-N 2 0 331.460 1.857 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901359334 592347028 /nfs/dbraw/zinc/34/70/28/592347028.db2.gz CUMYGDSGGGTYDG-NFBUACBFSA-N 2 0 345.487 1.468 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1CCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000906803922 592352029 /nfs/dbraw/zinc/35/20/29/592352029.db2.gz KCNHRIIOWACNFX-QKPAOTATSA-N 2 0 340.512 1.068 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOc2ccccc2F)cnn1C ZINC000903878428 592358982 /nfs/dbraw/zinc/35/89/82/592358982.db2.gz UCOQPFUODCKQDZ-OAHLLOKOSA-N 2 0 334.439 1.996 20 0 EDADRP Cn1ncc2c1ncnc2N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879081 592360229 /nfs/dbraw/zinc/36/02/29/592360229.db2.gz RTSHHMUHGIOUGK-GOOCMWNKSA-N 2 0 341.463 1.016 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886041 592364072 /nfs/dbraw/zinc/36/40/72/592364072.db2.gz QUKPHSBVLVCDMT-IRXDYDNUSA-N 2 0 347.507 1.084 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3ccccc3[C@H]2CO)cnn1C ZINC000903895595 592367561 /nfs/dbraw/zinc/36/75/61/592367561.db2.gz OQJRKCQKFNEEJV-HNAYVOBHSA-N 2 0 328.460 1.438 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnn1C ZINC000903898375 592369418 /nfs/dbraw/zinc/36/94/18/592369418.db2.gz KKGRHMDMZDOHDY-HLIPFELVSA-N 2 0 345.535 1.795 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@H](O)C2(O)CCC2)[C@H](c2ccccc2)C1 ZINC000905035053 592373020 /nfs/dbraw/zinc/37/30/20/592373020.db2.gz NTSCDXLZOZORIT-OALUTQOASA-N 2 0 347.503 1.231 20 0 EDADRP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956104 592395563 /nfs/dbraw/zinc/39/55/63/592395563.db2.gz GXUYTUWKCHTAHR-HOCLYGCPSA-N 2 0 339.430 1.958 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908238676 592400002 /nfs/dbraw/zinc/40/00/02/592400002.db2.gz BMGIXPPNAXSREH-IBGZPJMESA-N 2 0 339.524 1.948 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908239756 592401042 /nfs/dbraw/zinc/40/10/42/592401042.db2.gz MOCOOMJEAILFFY-UHFFFAOYSA-N 2 0 326.529 1.593 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906887975 592405836 /nfs/dbraw/zinc/40/58/36/592405836.db2.gz AZGKIQXARHHTTD-INIZCTEOSA-N 2 0 339.524 1.802 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986708 592406519 /nfs/dbraw/zinc/40/65/19/592406519.db2.gz PXJQNZNIEQRRBQ-KYJSFNMBSA-N 2 0 349.479 1.056 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1(C)C ZINC000905245401 592475468 /nfs/dbraw/zinc/47/54/68/592475468.db2.gz DAGYVOOCUCGONP-RBUKOAKNSA-N 2 0 349.519 1.477 20 0 EDADRP [NH3+]Cc1ccc(-c2noc(-c3ccnc(N4CC[NH2+]CC4)c3)n2)cc1 ZINC000905306489 592499729 /nfs/dbraw/zinc/49/97/29/592499729.db2.gz AYOMWFMTXSACBP-UHFFFAOYSA-N 2 0 336.399 1.667 20 0 EDADRP C[C@](O)(C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C(F)F ZINC000905365988 592516741 /nfs/dbraw/zinc/51/67/41/592516741.db2.gz DWTTZTXCHNMWJV-RDJZCZTQSA-N 2 0 328.403 1.749 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905398248 592520416 /nfs/dbraw/zinc/52/04/16/592520416.db2.gz HLDAICVBFKZSJE-KSZLIROESA-N 2 0 336.476 1.296 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905533572 592554134 /nfs/dbraw/zinc/55/41/34/592554134.db2.gz JNJQVLBBUSTTAP-JYSRZZCRSA-N 2 0 326.481 1.276 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCO[C@H]3CCOC3)c2cc1C ZINC000905608934 592577516 /nfs/dbraw/zinc/57/75/16/592577516.db2.gz LJJUDBLUKTUFGU-CVEARBPZSA-N 2 0 333.432 1.409 20 0 EDADRP C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285855 592584723 /nfs/dbraw/zinc/58/47/23/592584723.db2.gz OUGICXJNDSAHFZ-CVEARBPZSA-N 2 0 347.507 1.828 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc3c(c2)C[NH2+]C3)C1 ZINC000905614710 592594958 /nfs/dbraw/zinc/59/49/58/592594958.db2.gz MYZKPXJXGQCIIJ-SFHVURJKSA-N 2 0 347.459 1.142 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000907634763 592735324 /nfs/dbraw/zinc/73/53/24/592735324.db2.gz JLNNNLXTACFFBI-HIRMHNASSA-N 2 0 333.476 1.558 20 0 EDADRP CC1(C)[C@@H]([NH3+])c2ccccc2N1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218023 592760214 /nfs/dbraw/zinc/76/02/14/592760214.db2.gz DPNZVWZMBCXLII-INIZCTEOSA-N 2 0 339.443 1.787 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223050 592761561 /nfs/dbraw/zinc/76/15/61/592761561.db2.gz PRUOFZVQFTWTQO-UHFFFAOYSA-N 2 0 325.416 1.246 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223687 592761801 /nfs/dbraw/zinc/76/18/01/592761801.db2.gz VIGPNHCTBDRXBA-SJORKVTESA-N 2 0 345.491 1.437 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862454 592819230 /nfs/dbraw/zinc/81/92/30/592819230.db2.gz VSRHIDZVXGUWDX-GOSISDBHSA-N 2 0 344.503 1.118 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CN2CCOCC2)C1 ZINC000906641311 592864828 /nfs/dbraw/zinc/86/48/28/592864828.db2.gz FQYZUGGNIAZAJY-QZTJIDSGSA-N 2 0 337.508 1.822 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC(C)(C)[NH2+]1 ZINC000906644725 592865538 /nfs/dbraw/zinc/86/55/38/592865538.db2.gz MCODTJGEDMNENA-UHFFFAOYSA-N 2 0 332.448 1.509 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645899 592865837 /nfs/dbraw/zinc/86/58/37/592865837.db2.gz MSWXVJWZVNQFAG-KFWWJZLASA-N 2 0 346.475 1.566 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](CCO)C(C)C)CC1 ZINC000910861435 592897699 /nfs/dbraw/zinc/89/76/99/592897699.db2.gz QZGHESAQEUFOLD-GOSISDBHSA-N 2 0 339.524 1.802 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000911737602 592993382 /nfs/dbraw/zinc/99/33/82/592993382.db2.gz WNOZKPHXQCPCKP-KURKYZTESA-N 2 0 331.460 1.351 20 0 EDADRP C[NH2+]CCCCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000911745965 592995981 /nfs/dbraw/zinc/99/59/81/592995981.db2.gz RRTIQASLNNKAKF-INIZCTEOSA-N 2 0 333.432 1.924 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C12CC(C1)C[NH2+]2 ZINC000911747256 592996275 /nfs/dbraw/zinc/99/62/75/592996275.db2.gz XKDGGMULPBZWTP-KVIBHRHWSA-N 2 0 329.400 1.286 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)NC[C@H]([NH3+])c2ccccc2)cc1 ZINC000911768085 593000703 /nfs/dbraw/zinc/00/07/03/593000703.db2.gz OLQMEERCBOAMPY-SFHVURJKSA-N 2 0 327.428 1.773 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)c1 ZINC000911761922 593006677 /nfs/dbraw/zinc/00/66/77/593006677.db2.gz VFUJBBWNSWFAOZ-XOKHGSTOSA-N 2 0 333.432 1.510 20 0 EDADRP C[C@@H]1CN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000911819670 593016284 /nfs/dbraw/zinc/01/62/84/593016284.db2.gz QBCGLBAKUJFIMJ-VBOZERGBSA-N 2 0 331.460 1.836 20 0 EDADRP O=C(c1ccc2c(c1)OCC[NH2+]C2)N1CCC([NH2+]CC2CC2)CC1 ZINC000911848156 593025685 /nfs/dbraw/zinc/02/56/85/593025685.db2.gz VANGKMTUSRISLY-UHFFFAOYSA-N 2 0 329.444 1.773 20 0 EDADRP CN(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCO)c1ccc(Cl)cc1 ZINC000912600560 593106258 /nfs/dbraw/zinc/10/62/58/593106258.db2.gz XGOFFWSOAKKERM-OAHLLOKOSA-N 2 0 327.856 1.325 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000912591411 593106944 /nfs/dbraw/zinc/10/69/44/593106944.db2.gz NWAHCAHITBBWNW-IXDOHACOSA-N 2 0 339.524 1.847 20 0 EDADRP C[C@H]1CN(C(=O)CCN2CCOCC2)CCN1Cc1ccccc1 ZINC000839853775 593199679 /nfs/dbraw/zinc/19/96/79/593199679.db2.gz LMYIXRBWWZMWQU-KRWDZBQOSA-N 2 0 331.460 1.442 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809633963 593351131 /nfs/dbraw/zinc/35/11/31/593351131.db2.gz NXXJNKXONGWNQE-UHFFFAOYSA-N 2 0 340.493 1.304 20 0 EDADRP CN1c2ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc2CCC1=O ZINC000809741580 593357263 /nfs/dbraw/zinc/35/72/63/593357263.db2.gz PZDMFGVUPSQAOX-UHFFFAOYSA-N 2 0 332.492 1.521 20 0 EDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839689803 593364138 /nfs/dbraw/zinc/36/41/38/593364138.db2.gz TZCSWQDJYZXALC-JKSUJKDBSA-N 2 0 327.538 1.906 20 0 EDADRP COC(=O)c1ccc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)nc1 ZINC000813600308 593542687 /nfs/dbraw/zinc/54/26/87/593542687.db2.gz ZDLHWILDNXUNQQ-SJPCQFCGSA-N 2 0 344.459 1.615 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1cccc(Br)c1 ZINC000817929905 593649865 /nfs/dbraw/zinc/64/98/65/593649865.db2.gz VEEZPQADWKOGPJ-ZIAGYGMSSA-N 2 0 331.254 1.826 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000819057124 593736215 /nfs/dbraw/zinc/73/62/15/593736215.db2.gz RRJHHMVVVWJYNL-AOMKIAJQSA-N 2 0 326.506 1.616 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)c1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000819061711 593736625 /nfs/dbraw/zinc/73/66/25/593736625.db2.gz MRESWSBLSLWBDQ-IAGOWNOFSA-N 2 0 341.446 1.860 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2)(N2CCOCC2)CC1 ZINC000819366755 593752051 /nfs/dbraw/zinc/75/20/51/593752051.db2.gz ULSYUPFJPPGAHI-SFHVURJKSA-N 2 0 333.476 1.106 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000822794283 594101616 /nfs/dbraw/zinc/10/16/16/594101616.db2.gz MRWDDBWAXVNELQ-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC4(C[NH3+])CC4)n3)cn2)CC1 ZINC000822957095 594128515 /nfs/dbraw/zinc/12/85/15/594128515.db2.gz WRARLYMIWSSBSS-UHFFFAOYSA-N 2 0 342.447 1.555 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H](C)[NH+]2CCCCC2)C[C@@H]1C ZINC000825867684 594265447 /nfs/dbraw/zinc/26/54/47/594265447.db2.gz HNAYDCUCBKXWGC-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[C@H]1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000827892076 594298812 /nfs/dbraw/zinc/29/88/12/594298812.db2.gz GNVASGUKXDYGPF-BSDSXHPESA-N 2 0 339.524 1.635 20 0 EDADRP [NH3+][C@@H](CC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1CC1 ZINC000830085871 594334054 /nfs/dbraw/zinc/33/40/54/594334054.db2.gz OAMTUWIXFFVTBM-SFHVURJKSA-N 2 0 349.450 1.913 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCCCCC[NH3+])Cc2ccccc2C1 ZINC000831133177 594564986 /nfs/dbraw/zinc/56/49/86/594564986.db2.gz SJOOTSYSJHHPCH-UHFFFAOYSA-N 2 0 332.492 1.904 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@]1(F)CC[NH2+]C1 ZINC000829225061 594584270 /nfs/dbraw/zinc/58/42/70/594584270.db2.gz BKIUSBNCILDRSF-PHSGOXPASA-N 2 0 331.435 2.000 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000831264174 594594556 /nfs/dbraw/zinc/59/45/56/594594556.db2.gz WKBZGSIKXYTDSA-UHFFFAOYSA-N 2 0 340.512 1.649 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000841096544 594850540 /nfs/dbraw/zinc/85/05/40/594850540.db2.gz ZSJATGCKQVXSTA-HNAYVOBHSA-N 2 0 341.455 1.660 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841284352 594881276 /nfs/dbraw/zinc/88/12/76/594881276.db2.gz GRYRGMYHKSBEKW-YOEHRIQHSA-N 2 0 332.448 1.972 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327205 594885454 /nfs/dbraw/zinc/88/54/54/594885454.db2.gz FBDWZYXCRFTKPG-CVEARBPZSA-N 2 0 346.431 1.153 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000841648380 594931054 /nfs/dbraw/zinc/93/10/54/594931054.db2.gz GKXHVCNHKZKXRH-MRXNPFEDSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841676297 594934450 /nfs/dbraw/zinc/93/44/50/594934450.db2.gz NVDCICFKJNXFLL-UHFFFAOYSA-N 2 0 347.507 1.013 20 0 EDADRP CN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000841694468 594938868 /nfs/dbraw/zinc/93/88/68/594938868.db2.gz XVTXSSFOGMVLJN-UHFFFAOYSA-N 2 0 330.476 1.956 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847045 594964386 /nfs/dbraw/zinc/96/43/86/594964386.db2.gz QECYPILRCUEKAK-UONOGXRCSA-N 2 0 333.432 1.922 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000841924860 594983020 /nfs/dbraw/zinc/98/30/20/594983020.db2.gz FVMJGASCGIKCMF-SFHVURJKSA-N 2 0 330.476 1.958 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841927403 594983375 /nfs/dbraw/zinc/98/33/75/594983375.db2.gz LEFZONVXITYXCM-SFHVURJKSA-N 2 0 348.491 1.440 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932520 594984776 /nfs/dbraw/zinc/98/47/76/594984776.db2.gz FADOMCBNXSKMEG-YJBOKZPZSA-N 2 0 330.476 1.956 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000841990300 594996637 /nfs/dbraw/zinc/99/66/37/594996637.db2.gz ZEPCXRCXKBHXDD-FUHWJXTLSA-N 2 0 332.492 1.943 20 0 EDADRP C[N@H+](CC(=O)NCCc1c(F)cccc1F)C1CCC([NH3+])CC1 ZINC000843355455 595085192 /nfs/dbraw/zinc/08/51/92/595085192.db2.gz PZRANSYVNHDXJC-UHFFFAOYSA-N 2 0 325.403 1.825 20 0 EDADRP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364407 595088439 /nfs/dbraw/zinc/08/84/39/595088439.db2.gz IAOYPFNOCBLAKI-DGCLKSJQSA-N 2 0 329.400 1.921 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H]2CCn3ccnc32)[NH+](C)C)c1 ZINC000837353616 595090525 /nfs/dbraw/zinc/09/05/25/595090525.db2.gz UXZASMKWXMCDAA-HOTGVXAUSA-N 2 0 343.431 1.939 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](CCCCCC[NH3+])CC2)c(OC)c1 ZINC000846218629 595176580 /nfs/dbraw/zinc/17/65/80/595176580.db2.gz QIEQTRRILWGLNK-UHFFFAOYSA-N 2 0 349.475 1.981 20 0 EDADRP C[C@@H](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170078 595290113 /nfs/dbraw/zinc/29/01/13/595290113.db2.gz GOTAWHPNZWSLAK-YJBOKZPZSA-N 2 0 337.508 1.772 20 0 EDADRP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183198 595294982 /nfs/dbraw/zinc/29/49/82/595294982.db2.gz WEMDVLMSDLTQQQ-QGZVFWFLSA-N 2 0 331.460 1.980 20 0 EDADRP C[C@H](CCNC(=O)CO[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000844189440 595297488 /nfs/dbraw/zinc/29/74/88/595297488.db2.gz MILJLQIZNJXJGC-AEFFLSMTSA-N 2 0 333.476 1.782 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000844191674 595298576 /nfs/dbraw/zinc/29/85/76/595298576.db2.gz OSMMIFSMWAFUDX-HNNXBMFYSA-N 2 0 328.460 1.767 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)C(=O)O2)[C@H](C)C1 ZINC000844316576 595322846 /nfs/dbraw/zinc/32/28/46/595322846.db2.gz HICIDIJNCDPWOZ-OIISXLGYSA-N 2 0 339.480 1.696 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000847311830 595393696 /nfs/dbraw/zinc/39/36/96/595393696.db2.gz ISTXIUAWCJMKHR-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000848908694 595465551 /nfs/dbraw/zinc/46/55/51/595465551.db2.gz BENRLSYJFRZWSW-BQYQJAHWSA-N 2 0 335.448 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1 ZINC000849069555 595477500 /nfs/dbraw/zinc/47/75/00/595477500.db2.gz LKINFWZILUVCLP-GFCCVEGCSA-N 2 0 339.390 1.502 20 0 EDADRP CC[N@H+](CC(=O)N1CCO[C@H](C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995194 595537014 /nfs/dbraw/zinc/53/70/14/595537014.db2.gz DRYRRDBVDUVVOS-MRXNPFEDSA-N 2 0 333.476 1.817 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489037 595549638 /nfs/dbraw/zinc/54/96/38/595549638.db2.gz QPTYNXLJVMQPDK-ZWKOTPCHSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849497495 595552054 /nfs/dbraw/zinc/55/20/54/595552054.db2.gz GBVAVQVALPXLDG-NJAFHUGGSA-N 2 0 347.507 1.446 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000849501590 595553203 /nfs/dbraw/zinc/55/32/03/595553203.db2.gz WXHNAFRVJSHIBM-IAGOWNOFSA-N 2 0 333.480 1.058 20 0 EDADRP CN(C)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(Cl)n1 ZINC000112904023 595562187 /nfs/dbraw/zinc/56/21/87/595562187.db2.gz NQGBWEBCKSOMBD-UHFFFAOYSA-N 2 0 341.887 1.366 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000852862627 595582749 /nfs/dbraw/zinc/58/27/49/595582749.db2.gz DXBGCGMHNHNCEZ-DOTOQJQBSA-N 2 0 330.432 1.352 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852862912 595584102 /nfs/dbraw/zinc/58/41/02/595584102.db2.gz MWPICBIWFMMJSR-MRXNPFEDSA-N 2 0 330.432 1.118 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000852863969 595584752 /nfs/dbraw/zinc/58/47/52/595584752.db2.gz VAAPQEZNIAVUOR-LJQANCHMSA-N 2 0 327.472 1.977 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852888413 595600550 /nfs/dbraw/zinc/60/05/50/595600550.db2.gz JVGCEZPALJZMFD-RDJZCZTQSA-N 2 0 346.431 1.052 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103673 595665553 /nfs/dbraw/zinc/66/55/53/595665553.db2.gz CRPXVESMIRMXDR-IEBWSBKVSA-N 2 0 327.428 1.471 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)c1ccccn1 ZINC000853103424 595665908 /nfs/dbraw/zinc/66/59/08/595665908.db2.gz XIOWFVQWDPAXKH-FQEVSTJZSA-N 2 0 341.455 1.862 20 0 EDADRP COc1ccccc1[C@H](NC(=O)Cn1cncc1C)c1nccn1C ZINC000858247907 595742802 /nfs/dbraw/zinc/74/28/02/595742802.db2.gz OPXMQRROCWKTBU-KRWDZBQOSA-N 2 0 339.399 1.839 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000855641660 595777944 /nfs/dbraw/zinc/77/79/44/595777944.db2.gz OTEUERHOMOYHOZ-JXMROGBWSA-N 2 0 331.460 1.660 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000858525903 595818684 /nfs/dbraw/zinc/81/86/84/595818684.db2.gz NVYOQAZOAGMPLM-PMPSAXMXSA-N 2 0 341.496 1.942 20 0 EDADRP COC(CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)OC ZINC000851780019 595920338 /nfs/dbraw/zinc/92/03/38/595920338.db2.gz UPIIOUDXUKEXJC-UHFFFAOYSA-N 2 0 343.512 1.411 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CC[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000851934974 595976856 /nfs/dbraw/zinc/97/68/56/595976856.db2.gz QKCJPQOVYIDJJW-QGZVFWFLSA-N 2 0 339.524 1.878 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584191 596020641 /nfs/dbraw/zinc/02/06/41/596020641.db2.gz DTJTZRAGONDWHS-GOSISDBHSA-N 2 0 329.448 1.952 20 0 EDADRP CCN(C)C(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590560 596025294 /nfs/dbraw/zinc/02/52/94/596025294.db2.gz WNBMFSVVKFIWTE-GOSISDBHSA-N 2 0 348.491 1.855 20 0 EDADRP [NH3+]CC1(NC(=O)NCCCCCCC[NH+]2CCCC2)CCOCC1 ZINC000861601469 596044089 /nfs/dbraw/zinc/04/40/89/596044089.db2.gz WPGJDLPXCLYYRJ-UHFFFAOYSA-N 2 0 340.512 1.840 20 0 EDADRP CN(CCOCCNC(=O)OC(C)(C)C)Cc1cnc2n1CCC2 ZINC000862526684 596340202 /nfs/dbraw/zinc/34/02/02/596340202.db2.gz XVRBFZSOHXDLLM-UHFFFAOYSA-N 2 0 338.452 1.802 20 0 EDADRP O=C(CC[NH2+]CC1CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000870865601 596382922 /nfs/dbraw/zinc/38/29/22/596382922.db2.gz FBFLKDXYRNLPCI-UHFFFAOYSA-N 2 0 325.522 1.854 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000870876578 596386809 /nfs/dbraw/zinc/38/68/09/596386809.db2.gz SKNGWFXMZIOHSK-QAQDUYKDSA-N 3 0 345.491 1.227 20 0 EDADRP CN1CCC(CNC(=O)CCC23CC(C2)C[NH2+]3)([NH+]2CCCCC2)CC1 ZINC000870894601 596393158 /nfs/dbraw/zinc/39/31/58/596393158.db2.gz YOBBYPAGWKZLCY-UHFFFAOYSA-N 2 0 348.535 1.585 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870893298 596393423 /nfs/dbraw/zinc/39/34/23/596393423.db2.gz MFEATWBYPCTCEA-UHFFFAOYSA-N 2 0 340.493 1.308 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000870944331 596414028 /nfs/dbraw/zinc/41/40/28/596414028.db2.gz AJBLYDNTWWKEFV-QMTMVMCOSA-N 2 0 344.459 1.037 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C(F)F ZINC000870945915 596415058 /nfs/dbraw/zinc/41/50/58/596415058.db2.gz YTRSJUZQNJEAAQ-VHSXEESVSA-N 2 0 336.180 1.548 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000870994748 596432724 /nfs/dbraw/zinc/43/27/24/596432724.db2.gz USFBVXRKFKCTEV-QGZVFWFLSA-N 2 0 334.468 1.040 20 0 EDADRP C[NH+](C)CCCNC(=S)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000865254507 596525459 /nfs/dbraw/zinc/52/54/59/596525459.db2.gz ZVFCJWDAXLZMRR-UHFFFAOYSA-N 2 0 336.509 1.072 20 0 EDADRP CC(=O)NCC1CCC([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000865411518 596566316 /nfs/dbraw/zinc/56/63/16/596566316.db2.gz XKWNSCNEARDIGV-ACBHZAAOSA-N 2 0 338.540 1.543 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cn(C3CC3)cn2)CC1 ZINC000865484683 596588161 /nfs/dbraw/zinc/58/81/61/596588161.db2.gz KGBPNCNUBGZUFS-UHFFFAOYSA-N 2 0 347.507 1.934 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863556479 596617773 /nfs/dbraw/zinc/61/77/73/596617773.db2.gz DSWXIVJUUZZAIJ-IBGZPJMESA-N 2 0 332.492 1.697 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000869762406 596621610 /nfs/dbraw/zinc/62/16/10/596621610.db2.gz HQOPAXJKLQRISJ-UHFFFAOYSA-N 2 0 330.432 1.765 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000863641829 596640634 /nfs/dbraw/zinc/64/06/34/596640634.db2.gz CQJSOCBNXPYTQS-GOEBONIOSA-N 2 0 345.399 1.172 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000868018105 596656764 /nfs/dbraw/zinc/65/67/64/596656764.db2.gz UGTVXTWMXMRMMO-UHFFFAOYSA-N 2 0 333.480 1.393 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)CC[C@@H]21 ZINC000868023142 596658945 /nfs/dbraw/zinc/65/89/45/596658945.db2.gz CMXBEJYEEAMBDC-IRXDYDNUSA-N 2 0 343.475 1.917 20 0 EDADRP c1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)nnn1C1CC[NH2+]CC1 ZINC000871792196 596701420 /nfs/dbraw/zinc/70/14/20/596701420.db2.gz QRZXRPGEXPJEPO-YOGCLGLASA-N 2 0 329.408 1.251 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CSCCS2)C[C@H]1C[NH+](C)C ZINC000870020103 596711340 /nfs/dbraw/zinc/71/13/40/596711340.db2.gz CPRJYRLOCOQOIK-RBSFLKMASA-N 2 0 345.578 1.423 20 0 EDADRP Cc1noc(C2CC2)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021243 596712081 /nfs/dbraw/zinc/71/20/81/596712081.db2.gz CWUSPDXGRKFRAU-HUUCEWRRSA-N 2 0 334.464 1.672 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868181419 596713969 /nfs/dbraw/zinc/71/39/69/596713969.db2.gz SIYSYTVFNYHBOW-DLBZAZTESA-N 2 0 334.464 1.981 20 0 EDADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000863940421 596721799 /nfs/dbraw/zinc/72/17/99/596721799.db2.gz DQBOZBIUOOJEQP-QZTJIDSGSA-N 2 0 331.460 1.292 20 0 EDADRP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)[C@H]1CCCOC1 ZINC000872057770 596800090 /nfs/dbraw/zinc/80/00/90/596800090.db2.gz ICVPDYUYUWJNRL-ULQDDVLXSA-N 2 0 327.513 1.874 20 0 EDADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000872144047 596809064 /nfs/dbraw/zinc/80/90/64/596809064.db2.gz ARTXJTPCGHBZPH-OAGGEKHMSA-N 2 0 346.537 1.951 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000872248972 596853544 /nfs/dbraw/zinc/85/35/44/596853544.db2.gz YMXXXMVQVLUNRM-NSHDSACASA-N 2 0 337.411 1.465 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2nccn21 ZINC000875644507 596931683 /nfs/dbraw/zinc/93/16/83/596931683.db2.gz GFHLZBSBZMILMT-JJXSEGSLSA-N 2 0 348.495 1.270 20 0 EDADRP CO[C@@H]([C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875645985 596931906 /nfs/dbraw/zinc/93/19/06/596931906.db2.gz BPUDAURXEHZUIQ-SVGFKBNWSA-N 2 0 340.512 1.181 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCC1(C)C ZINC000875747015 596971179 /nfs/dbraw/zinc/97/11/79/596971179.db2.gz GILDJBMLIKCHQH-INIZCTEOSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000874429224 597074409 /nfs/dbraw/zinc/07/44/09/597074409.db2.gz DJCLNWSLCKHSBO-INIZCTEOSA-N 2 0 340.512 1.563 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(COC)C[NH2+]CCO1)c1ccccc1 ZINC000876503332 597223778 /nfs/dbraw/zinc/22/37/78/597223778.db2.gz GZJLBPMQGCYDOP-PKOBYXMFSA-N 2 0 349.475 1.191 20 0 EDADRP Fc1cnc(N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)nc1 ZINC000873209373 597227620 /nfs/dbraw/zinc/22/76/20/597227620.db2.gz KYPMZQZJEVTOLA-UHFFFAOYSA-N 2 0 333.436 1.645 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226974 597233993 /nfs/dbraw/zinc/23/39/93/597233993.db2.gz FIVJRIONEOWQRQ-OXQOHEQNSA-N 2 0 327.472 1.774 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873248940 597239392 /nfs/dbraw/zinc/23/93/92/597239392.db2.gz JCLCJWNRLNMXEL-YESZJQIVSA-N 2 0 342.443 1.216 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1c(I)cnn1C ZINC000873277876 597244807 /nfs/dbraw/zinc/24/48/07/597244807.db2.gz WOOUXOHNDJPEJX-VIFPVBQESA-N 2 0 336.221 1.632 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000873309815 597253084 /nfs/dbraw/zinc/25/30/84/597253084.db2.gz FTUZWAFZXITWBC-INIZCTEOSA-N 2 0 348.495 1.879 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876727504 597308230 /nfs/dbraw/zinc/30/82/30/597308230.db2.gz MJBSLTGWDWVFDE-ZBFHGGJFSA-N 2 0 331.464 1.330 20 0 EDADRP CCCN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000876729484 597309619 /nfs/dbraw/zinc/30/96/19/597309619.db2.gz OLYRUNQBJWVMNO-MOPGFXCFSA-N 2 0 346.519 1.779 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2(C)C)CC1 ZINC000876747214 597319657 /nfs/dbraw/zinc/31/96/57/597319657.db2.gz YBYADRUJGXQIJT-TWMKSMIVSA-N 2 0 336.524 1.377 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1(F)F ZINC000876752475 597322375 /nfs/dbraw/zinc/32/23/75/597322375.db2.gz QTUJOTWNZWEYSO-RRFJBIMHSA-N 2 0 329.435 1.941 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)[C@H](C)C1 ZINC000876763286 597328343 /nfs/dbraw/zinc/32/83/43/597328343.db2.gz FEQJIPDDNLTIEB-MTNOOBJLSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000876851673 597358867 /nfs/dbraw/zinc/35/88/67/597358867.db2.gz MRYWVZPRPQSESO-BZUAXINKSA-N 2 0 333.480 1.611 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876887002 597369572 /nfs/dbraw/zinc/36/95/72/597369572.db2.gz HFLFCOFTRYIQKC-CWDCEQMOSA-N 2 0 328.460 1.970 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000876961788 597397927 /nfs/dbraw/zinc/39/79/27/597397927.db2.gz XDFMHTQKMJRVNN-LQSBMHKMSA-N 2 0 343.471 1.281 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000876970453 597402069 /nfs/dbraw/zinc/40/20/69/597402069.db2.gz RPQYWJXFSISQAB-IAGOWNOFSA-N 2 0 347.507 1.966 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000877004976 597409751 /nfs/dbraw/zinc/40/97/51/597409751.db2.gz OMNCMHKGENQEDB-OLZOCXBDSA-N 2 0 338.249 1.850 20 0 EDADRP C[NH2+]CCOCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000877023776 597414703 /nfs/dbraw/zinc/41/47/03/597414703.db2.gz FCAWISJPOYCHFO-GOSISDBHSA-N 2 0 345.487 1.641 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875428460 597424578 /nfs/dbraw/zinc/42/45/78/597424578.db2.gz IYJVOFGLVNWVJI-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877133465 597439796 /nfs/dbraw/zinc/43/97/96/597439796.db2.gz BUKZOBYSAOMMSX-BGTYHANMSA-N 2 0 333.451 1.818 20 0 EDADRP C[C@]1(Br)C[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199284 597459417 /nfs/dbraw/zinc/45/94/17/597459417.db2.gz LMHIOAULEVBEPE-RISCZKNCSA-N 2 0 339.237 1.603 20 0 EDADRP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000877253364 597481192 /nfs/dbraw/zinc/48/11/92/597481192.db2.gz UVMJNZZEAGINMM-MRXNPFEDSA-N 2 0 344.503 1.552 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)C2 ZINC000877370913 597503447 /nfs/dbraw/zinc/50/34/47/597503447.db2.gz IDUWFWSHPCFMGI-GZBFAFLISA-N 2 0 327.350 1.773 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877407987 597510900 /nfs/dbraw/zinc/51/09/00/597510900.db2.gz ATOWKWHJPNUPPM-ROUUACIJSA-N 2 0 345.487 1.994 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCCS(=O)(=O)C(C)(C)C ZINC000878315020 597594730 /nfs/dbraw/zinc/59/47/30/597594730.db2.gz DEDQGULATCSMKS-UHFFFAOYSA-N 2 0 333.542 1.159 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000878363930 597597801 /nfs/dbraw/zinc/59/78/01/597597801.db2.gz LRZOSZAEILSZJY-LPHOPBHVSA-N 2 0 331.460 1.564 20 0 EDADRP CCC[C@@H](C)[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780224 597624898 /nfs/dbraw/zinc/62/48/98/597624898.db2.gz XUZJWKRPYKYILR-CABCVRRESA-N 2 0 336.480 1.861 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000883142451 597665191 /nfs/dbraw/zinc/66/51/91/597665191.db2.gz JEOMJJTYKOOOKG-QAPCUYQASA-N 2 0 330.476 1.827 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000883142444 597665693 /nfs/dbraw/zinc/66/56/93/597665693.db2.gz JCYJRCOENNBQFU-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH+]2CCC(CO)(c3ccccc3)CC2)CC1 ZINC000878648541 597666799 /nfs/dbraw/zinc/66/67/99/597666799.db2.gz QMBIWKRQYGDNAU-UHFFFAOYSA-N 2 0 345.487 1.223 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000879672838 597681767 /nfs/dbraw/zinc/68/17/67/597681767.db2.gz AXPWKCQXLZACPF-UHFFFAOYSA-N 2 0 336.484 1.829 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)sn1 ZINC000878864057 597737972 /nfs/dbraw/zinc/73/79/72/597737972.db2.gz OHNUAAAHVKGYKQ-CHWSQXEVSA-N 2 0 325.482 1.655 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000883431779 597744090 /nfs/dbraw/zinc/74/40/90/597744090.db2.gz DDWDWTGFRPXVBB-RCCFBDPRSA-N 2 0 338.492 1.933 20 0 EDADRP CCc1ncc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000878994141 597778440 /nfs/dbraw/zinc/77/84/40/597778440.db2.gz UGGNGJMBEYSGFE-ZIAGYGMSSA-N 2 0 334.468 1.242 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000880147958 597857560 /nfs/dbraw/zinc/85/75/60/597857560.db2.gz MQXJCXRAZZMMSX-SJORKVTESA-N 2 0 333.476 1.498 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCN1c1cc[nH+]cc1 ZINC000883711217 597871365 /nfs/dbraw/zinc/87/13/65/597871365.db2.gz HJIGFOGVFYWXCX-INMHGKMJSA-N 2 0 331.464 1.642 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cncc(OC)c1 ZINC000880557396 597962681 /nfs/dbraw/zinc/96/26/81/597962681.db2.gz RLQVFHNMPUATIZ-MRXNPFEDSA-N 2 0 349.479 1.970 20 0 EDADRP COc1ccc(C[N@H+](CCO)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000880572411 597967719 /nfs/dbraw/zinc/96/77/19/597967719.db2.gz QJOXXEREKSXELM-UHFFFAOYSA-N 2 0 349.519 1.906 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCO1 ZINC000884042839 597976448 /nfs/dbraw/zinc/97/64/48/597976448.db2.gz JITGIKHUFTVPAV-ZWKOPEQDSA-N 2 0 342.237 1.024 20 0 EDADRP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000884188341 598019668 /nfs/dbraw/zinc/01/96/68/598019668.db2.gz FPFLHUSILKGDOX-HOTGVXAUSA-N 2 0 345.491 1.341 20 0 EDADRP C[N@H+](CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CCCCC1 ZINC000884190197 598020535 /nfs/dbraw/zinc/02/05/35/598020535.db2.gz XXPWSKOFCIISKN-UHFFFAOYSA-N 2 0 345.491 1.486 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000884316423 598063346 /nfs/dbraw/zinc/06/33/46/598063346.db2.gz RYDBUIQNQYZXAQ-AEFFLSMTSA-N 2 0 331.460 1.841 20 0 EDADRP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)c1nc(N)[nH+]c(N)n1 ZINC000882895446 598098426 /nfs/dbraw/zinc/09/84/26/598098426.db2.gz MSUOCCIEVIHDFN-AWEZNQCLSA-N 2 0 327.436 1.527 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC000992837798 695396703 /nfs/dbraw/zinc/39/67/03/695396703.db2.gz WPGPMCJENGOVOB-CGTJXYLNSA-N 2 0 347.507 1.685 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017797 699998905 /nfs/dbraw/zinc/99/89/05/699998905.db2.gz WZEJLULCVZBNPX-ZIAGYGMSSA-N 2 0 349.504 1.541 20 0 EDADRP CC(C)[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992879529 695424012 /nfs/dbraw/zinc/42/40/12/695424012.db2.gz UMTPKHQYHDCNIO-BPQIPLTHSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000925412752 695558375 /nfs/dbraw/zinc/55/83/75/695558375.db2.gz XRXRJVKWBQLHNP-FUHWJXTLSA-N 2 0 330.476 1.997 20 0 EDADRP CC[C@@H](C(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001060765235 700020968 /nfs/dbraw/zinc/02/09/68/700020968.db2.gz XHNMOMLUDNWTGI-JYJNAYRXSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000915208344 695763387 /nfs/dbraw/zinc/76/33/87/695763387.db2.gz FMIVOXJAYUDJBK-PMPSAXMXSA-N 2 0 348.491 1.861 20 0 EDADRP C[C@@H]1CC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000915208340 695763451 /nfs/dbraw/zinc/76/34/51/695763451.db2.gz FMIVOXJAYUDJBK-OAGGEKHMSA-N 2 0 348.491 1.861 20 0 EDADRP C[C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000915257095 695772528 /nfs/dbraw/zinc/77/25/28/695772528.db2.gz DZEDDNWJSIXPTI-MRXNPFEDSA-N 2 0 346.475 1.477 20 0 EDADRP COC(C)(C)[C@H](C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000915493075 695933169 /nfs/dbraw/zinc/93/31/69/695933169.db2.gz OGGIGJCJPFKGCE-AWEZNQCLSA-N 2 0 340.512 1.658 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000923597325 695982560 /nfs/dbraw/zinc/98/25/60/695982560.db2.gz MYBJWZQIBCLYPF-MRXNPFEDSA-N 2 0 343.468 1.271 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CC1CCC1 ZINC000993362329 696009332 /nfs/dbraw/zinc/00/93/32/696009332.db2.gz HLGBZVLTJVXKNK-WBVHZDCISA-N 2 0 347.507 1.828 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCOC1CCC1 ZINC000993759672 696352509 /nfs/dbraw/zinc/35/25/09/696352509.db2.gz MCAGODVMRNSELA-QAPCUYQASA-N 2 0 337.508 1.866 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211254 696583477 /nfs/dbraw/zinc/58/34/77/696583477.db2.gz YHHAQYKGRAHSSH-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000916033601 696615486 /nfs/dbraw/zinc/61/54/86/696615486.db2.gz ZUOHCJYUPPNUIK-HZPDHXFCSA-N 2 0 340.537 1.597 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)oc1C ZINC000940008414 700110406 /nfs/dbraw/zinc/11/04/06/700110406.db2.gz MREDETLRHNJLJH-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCCO ZINC000948065939 697056363 /nfs/dbraw/zinc/05/63/63/697056363.db2.gz LDSIRPUBSWRXLK-NVXWUHKLSA-N 2 0 333.476 1.713 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917897844 697099707 /nfs/dbraw/zinc/09/97/07/697099707.db2.gz DNJORLPJZFIJNQ-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)N2CC[N@H+](C)C[C@@H]2CC(C)C)C1 ZINC000919127185 697246944 /nfs/dbraw/zinc/24/69/44/697246944.db2.gz OOIFHVPYMDAFAV-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001031666869 697452141 /nfs/dbraw/zinc/45/21/41/697452141.db2.gz SRLUJCIRHSVUPZ-HUUCEWRRSA-N 2 0 345.434 1.331 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688899 697527640 /nfs/dbraw/zinc/52/76/40/697527640.db2.gz NJPBOFPHWREMOW-MSOLQXFVSA-N 2 0 335.492 1.478 20 0 EDADRP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940111298 700225570 /nfs/dbraw/zinc/22/55/70/700225570.db2.gz AVMFXOJULPPNCI-MRXNPFEDSA-N 2 0 332.448 1.487 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001031764767 699049671 /nfs/dbraw/zinc/04/96/71/699049671.db2.gz NDWQTUOZVHLQTE-GOSISDBHSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764572 699053236 /nfs/dbraw/zinc/05/32/36/699053236.db2.gz JBEDYBBUNYFJJZ-INIZCTEOSA-N 2 0 335.492 1.337 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939064636 699132049 /nfs/dbraw/zinc/13/20/49/699132049.db2.gz ZWVCJNOXNUWAEM-YJBOKZPZSA-N 2 0 347.507 1.224 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031776832 699169642 /nfs/dbraw/zinc/16/96/42/699169642.db2.gz PJIJFSBGGYXOLC-ZWKOTPCHSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939136870 699223682 /nfs/dbraw/zinc/22/36/82/699223682.db2.gz CPIVSBITQCPKJT-DOTOQJQBSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941596006 701587507 /nfs/dbraw/zinc/58/75/07/701587507.db2.gz SAYPCHZQHJQCNS-QGZVFWFLSA-N 2 0 336.524 1.488 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677132 701615816 /nfs/dbraw/zinc/61/58/16/701615816.db2.gz LUZMKQMRZGOYQQ-CALCHBBNSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939753483 699902702 /nfs/dbraw/zinc/90/27/02/699902702.db2.gz FYVMUNDELFHIRH-CJNGLKHVSA-N 2 0 336.867 1.767 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939753490 699903120 /nfs/dbraw/zinc/90/31/20/699903120.db2.gz GDBBZYMUAQBGCN-PBHICJAKSA-N 2 0 333.480 1.032 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(C)n1 ZINC000939753513 699903191 /nfs/dbraw/zinc/90/31/91/699903191.db2.gz GENLVIVNHKDLNN-RDTXWAMCSA-N 2 0 330.476 1.731 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939807882 699956816 /nfs/dbraw/zinc/95/68/16/699956816.db2.gz ASIPOXUHXXWYJF-CRAIPNDOSA-N 2 0 345.491 1.598 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)CCC1 ZINC000940150310 700262765 /nfs/dbraw/zinc/26/27/65/700262765.db2.gz WCGAWTWMDWPUSQ-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cc(OC)ccn2)CC1)[NH+](C)C ZINC000940176798 700309794 /nfs/dbraw/zinc/30/97/94/700309794.db2.gz PHPVJXFVEZWJLA-QGZVFWFLSA-N 2 0 348.491 1.901 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995056998 700412216 /nfs/dbraw/zinc/41/22/16/700412216.db2.gz TVRJUEFNMWZHJB-CVEARBPZSA-N 2 0 347.507 1.669 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000940296593 700468741 /nfs/dbraw/zinc/46/87/41/700468741.db2.gz PNFZPAVXPBFBIH-UHFFFAOYSA-N 2 0 349.479 1.445 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327423 700504182 /nfs/dbraw/zinc/50/41/82/700504182.db2.gz BBRKDYBISQGSSU-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995077239 700659225 /nfs/dbraw/zinc/65/92/25/700659225.db2.gz GYWRURPPPLHQHF-RHSMWYFYSA-N 2 0 333.480 1.136 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccccn3)C2)CC1 ZINC000995079967 700695054 /nfs/dbraw/zinc/69/50/54/700695054.db2.gz QAJAEEDSDAFOID-RDJZCZTQSA-N 2 0 330.476 1.798 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)CC2(C)C)n1 ZINC000940754090 700890672 /nfs/dbraw/zinc/89/06/72/700890672.db2.gz TXLZMISPFJXKJS-QGZVFWFLSA-N 2 0 347.507 1.685 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)CC[N@@H+]1C ZINC000940756877 700891999 /nfs/dbraw/zinc/89/19/99/700891999.db2.gz LSULWNOBOKKDNC-DJIMGWMZSA-N 2 0 347.507 1.477 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCOC)CC2(C)C)C1 ZINC000940973843 701015948 /nfs/dbraw/zinc/01/59/48/701015948.db2.gz XSZWIJRVYSGJGS-SJORKVTESA-N 2 0 339.524 1.972 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCOC3CCC3)C2)C1 ZINC001031919621 701048885 /nfs/dbraw/zinc/04/88/85/701048885.db2.gz WVBCFQSGKBLBEA-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCC[C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001031925282 701140450 /nfs/dbraw/zinc/14/04/50/701140450.db2.gz CWYKWAMWYSBFGA-JZXOWHBKSA-N 2 0 337.508 1.581 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC000995171171 701693850 /nfs/dbraw/zinc/69/38/50/701693850.db2.gz YVRAAYFFSWLWQZ-GDBMZVCRSA-N 2 0 346.450 1.691 20 0 EDADRP CC[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001032197538 701695434 /nfs/dbraw/zinc/69/54/34/701695434.db2.gz NIOBJETWTDKRAG-RBUKOAKNSA-N 2 0 345.487 1.906 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cscn3)C[C@H]2CC1 ZINC000946518554 706604276 /nfs/dbraw/zinc/60/42/76/706604276.db2.gz WSHQSOOEKPSQDC-UXLLHSPISA-N 2 0 348.516 1.908 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941430807 701537778 /nfs/dbraw/zinc/53/77/78/701537778.db2.gz CWDJKWCVPGQMJG-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941432480 701538567 /nfs/dbraw/zinc/53/85/67/701538567.db2.gz ANMJQOHBNTWNOW-QGZVFWFLSA-N 2 0 336.524 1.203 20 0 EDADRP Cc1cnc(CN[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000999174041 706605509 /nfs/dbraw/zinc/60/55/09/706605509.db2.gz NJQGZKPWPXVFRH-SJORKVTESA-N 2 0 343.475 1.207 20 0 EDADRP CCc1ccccc1CC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130414 701842176 /nfs/dbraw/zinc/84/21/76/701842176.db2.gz OZSNPGIMQLGBNA-UHFFFAOYSA-N 2 0 341.499 1.935 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031976791 701920838 /nfs/dbraw/zinc/92/08/38/701920838.db2.gz SNMIURLCJDFBFU-KSSFIOAISA-N 2 0 349.450 1.450 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999192193 706634840 /nfs/dbraw/zinc/63/48/40/706634840.db2.gz DIAVFIFCLYLBAL-BFYDXBDKSA-N 2 0 331.464 1.206 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995806325 702051950 /nfs/dbraw/zinc/05/19/50/702051950.db2.gz WCZVYTAGRJOAQK-IRXDYDNUSA-N 2 0 347.507 1.620 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)cc1 ZINC001031979513 702073839 /nfs/dbraw/zinc/07/38/39/702073839.db2.gz YIEFRAWNJGMXFC-KRWDZBQOSA-N 2 0 345.487 1.489 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001032206047 702126834 /nfs/dbraw/zinc/12/68/34/702126834.db2.gz QFJCBKQLSKGSEG-IBGZPJMESA-N 2 0 345.487 1.601 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001032206242 702136107 /nfs/dbraw/zinc/13/61/07/702136107.db2.gz VSYUJGTWHFJNSC-LJQANCHMSA-N 2 0 345.487 1.988 20 0 EDADRP CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000995879079 702186108 /nfs/dbraw/zinc/18/61/08/702186108.db2.gz BKHNXCCOJZQIBG-AWEZNQCLSA-N 2 0 333.461 1.826 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894860 702197320 /nfs/dbraw/zinc/19/73/20/702197320.db2.gz KXURGRGUARTIQX-WBVHZDCISA-N 2 0 347.507 1.570 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC001032182796 702211132 /nfs/dbraw/zinc/21/11/32/702211132.db2.gz REAYBXBHVJUOJF-OXJNMPFZSA-N 2 0 341.499 1.791 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)[NH+](C)C ZINC000995925597 702251721 /nfs/dbraw/zinc/25/17/21/702251721.db2.gz KXEILDMAHYXKAT-SJORKVTESA-N 2 0 332.492 1.994 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032663965 706653665 /nfs/dbraw/zinc/65/36/65/706653665.db2.gz LEEUUGCECHNXNF-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995964424 702309349 /nfs/dbraw/zinc/30/93/49/702309349.db2.gz APPVOMDRKSTWQA-CVEARBPZSA-N 2 0 347.507 1.714 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOC3CCCCCC3)C2)C1 ZINC001032185918 702312191 /nfs/dbraw/zinc/31/21/91/702312191.db2.gz FOBAPXOUOMMNDK-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnoc3C)C2)CC[N@@H+]1C ZINC000999206251 706659952 /nfs/dbraw/zinc/65/99/52/706659952.db2.gz IRQPKEVGVIXNHW-IXDOHACOSA-N 2 0 334.464 1.794 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCc2nccs2)C(C)(C)C1 ZINC000995973905 702359528 /nfs/dbraw/zinc/35/95/28/702359528.db2.gz GEJNPWYKLCSOSU-ZIAGYGMSSA-N 2 0 336.505 1.954 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000996001387 702380935 /nfs/dbraw/zinc/38/09/35/702380935.db2.gz YKQHAUQINPYLHA-JKSUJKDBSA-N 2 0 335.492 1.478 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944154069 702442112 /nfs/dbraw/zinc/44/21/12/702442112.db2.gz JGYQXEUZINPJNQ-YOEHRIQHSA-N 2 0 346.475 1.659 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@@H]3CCCOC3)C(C)(C)C2)CC1 ZINC000996248825 702651223 /nfs/dbraw/zinc/65/12/23/702651223.db2.gz ORTDPMAGNXIXTQ-RDJZCZTQSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213551 702712787 /nfs/dbraw/zinc/71/27/87/702712787.db2.gz QKNPXDIUAJVDCB-IRXDYDNUSA-N 2 0 330.476 1.860 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500575 702839415 /nfs/dbraw/zinc/83/94/15/702839415.db2.gz GXZKAFIALZQRGG-NVXWUHKLSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@@H]1CCCO1 ZINC000996519770 702855694 /nfs/dbraw/zinc/85/56/94/702855694.db2.gz LCMKMUXGCMKRFM-JKSUJKDBSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)C(C)(C)C1 ZINC000996562396 702876266 /nfs/dbraw/zinc/87/62/66/702876266.db2.gz KNXQROGJFMUKIF-MRXNPFEDSA-N 2 0 345.447 1.892 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000996559871 702878364 /nfs/dbraw/zinc/87/83/64/702878364.db2.gz GMDGZBAHPJWQLE-KRWDZBQOSA-N 2 0 332.448 1.405 20 0 EDADRP CCc1noc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)CC2)n1 ZINC000996602169 702908804 /nfs/dbraw/zinc/90/88/04/702908804.db2.gz FFZUQIOJNRLXFA-LSDHHAIUSA-N 2 0 349.479 1.443 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c(C)n1 ZINC000996608068 702911091 /nfs/dbraw/zinc/91/10/91/702911091.db2.gz FQIMDWRFZJRZES-QZTJIDSGSA-N 2 0 344.503 1.977 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccns3)C(C)(C)C2)C1 ZINC000996609993 702921053 /nfs/dbraw/zinc/92/10/53/702921053.db2.gz IVSCQZATLUISQT-DZGCQCFKSA-N 2 0 336.505 1.464 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000996668906 702964773 /nfs/dbraw/zinc/96/47/73/702964773.db2.gz MHIIMZYWYICRMZ-QGZVFWFLSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996670558 702971973 /nfs/dbraw/zinc/97/19/73/702971973.db2.gz ZGOFRRODQFPAAT-SFHVURJKSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000996690972 702988059 /nfs/dbraw/zinc/98/80/59/702988059.db2.gz QHSFVRCHWQVBOK-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000996692033 702989069 /nfs/dbraw/zinc/98/90/69/702989069.db2.gz FGNJEGKMOZPZQM-SFHVURJKSA-N 2 0 347.507 1.496 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)[NH+](C)C ZINC000996692574 702989940 /nfs/dbraw/zinc/98/99/40/702989940.db2.gz NTAVSFDGUXOSRA-SFHVURJKSA-N 2 0 339.524 1.970 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529168 703029782 /nfs/dbraw/zinc/02/97/82/703029782.db2.gz GSJZEQYLRQSMOO-QFBILLFUSA-N 2 0 347.503 1.877 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[NH+](CCF)C2)C1 ZINC000995267410 703187540 /nfs/dbraw/zinc/18/75/40/703187540.db2.gz KUNOPABANYJRKD-MSOLQXFVSA-N 2 0 348.466 1.653 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996933900 703203353 /nfs/dbraw/zinc/20/33/53/703203353.db2.gz IQMNKQQSJJPQEG-UHFFFAOYSA-N 2 0 349.475 1.962 20 0 EDADRP Cc1ncc(CN2CC(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042938 703210461 /nfs/dbraw/zinc/21/04/61/703210461.db2.gz PASUILZIMXGGKM-QZTJIDSGSA-N 2 0 343.475 1.350 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997011584 703271583 /nfs/dbraw/zinc/27/15/83/703271583.db2.gz XDQCOXCXEIHANJ-CJNGLKHVSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000997012558 703272218 /nfs/dbraw/zinc/27/22/18/703272218.db2.gz XUOUVWJRDCYBEE-CXAGYDPISA-N 2 0 331.464 1.063 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]Cc3nncs3)CC2)CC1 ZINC000997056487 703302341 /nfs/dbraw/zinc/30/23/41/703302341.db2.gz FQIYRWBFEXSJFE-UHFFFAOYSA-N 2 0 337.493 1.351 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997059506 703304877 /nfs/dbraw/zinc/30/48/77/703304877.db2.gz DOOLXXMHNQMXQW-GOSISDBHSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cccc2[nH]c(=O)oc21)N1CC[NH+](C)CC1 ZINC000921522237 703357431 /nfs/dbraw/zinc/35/74/31/703357431.db2.gz PJKHMGWQIXUTET-INIZCTEOSA-N 2 0 332.448 1.895 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)ncn1 ZINC000997116308 703370984 /nfs/dbraw/zinc/37/09/84/703370984.db2.gz VVQCPZWSSMCXQX-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997182845 703467870 /nfs/dbraw/zinc/46/78/70/703467870.db2.gz IHVWBOKHOWEUHE-AWEZNQCLSA-N 2 0 334.464 1.659 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997180159 703470591 /nfs/dbraw/zinc/47/05/91/703470591.db2.gz FWUXTRWVFLWSDQ-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)c1ccn2c[nH+]cc2c1)C1CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000997204636 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1.999 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997420345 703670260 /nfs/dbraw/zinc/67/02/60/703670260.db2.gz HNWLYZFFJSNSNL-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000997605169 703901813 /nfs/dbraw/zinc/90/18/13/703901813.db2.gz DQNLVFVTINQCLO-GOSISDBHSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995554471 703970200 /nfs/dbraw/zinc/97/02/00/703970200.db2.gz WZOJCNMCZFWLBJ-UONOGXRCSA-N 2 0 336.505 1.872 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)CC[N@@H+]1C ZINC000999291461 706786908 /nfs/dbraw/zinc/78/69/08/706786908.db2.gz BQAGWZRJIBPPTE-JPQBHMHHSA-N 2 0 333.480 1.229 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033080819 704135652 /nfs/dbraw/zinc/13/56/52/704135652.db2.gz JOITXJAQKZSRBG-ROUUACIJSA-N 2 0 342.487 1.765 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](C[C@H](C)O)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597670 704292677 /nfs/dbraw/zinc/29/26/77/704292677.db2.gz FGFSIGLSENZPLS-IECFSIQFSA-N 2 0 337.508 1.268 20 0 EDADRP Cc1nnsc1CN1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947935205 704627879 /nfs/dbraw/zinc/62/78/79/704627879.db2.gz PKXDKOTWHKQTIH-OCCSQVGLSA-N 2 0 349.504 1.411 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947936333 704664810 /nfs/dbraw/zinc/66/48/10/704664810.db2.gz VLYNHXYLWBEPEE-CJNGLKHVSA-N 2 0 346.475 1.856 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997821700 704741497 /nfs/dbraw/zinc/74/14/97/704741497.db2.gz PRPPFNXRPLKDJB-KRWDZBQOSA-N 2 0 345.491 1.679 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000997831456 704749517 /nfs/dbraw/zinc/74/95/17/704749517.db2.gz SHYVLOPBMXVSBJ-YLJYHZDGSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)[NH+](C)C ZINC000997840535 704757058 /nfs/dbraw/zinc/75/70/58/704757058.db2.gz RHWYGQMJGQEBAX-SFHVURJKSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000997840573 704757065 /nfs/dbraw/zinc/75/70/65/704757065.db2.gz SCYBNXHWTUMZBA-MSOLQXFVSA-N 2 0 339.524 1.970 20 0 EDADRP CCn1ccnc1CN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 ZINC000944965360 704835919 /nfs/dbraw/zinc/83/59/19/704835919.db2.gz RIFDGOZVUGBLST-GDBMZVCRSA-N 2 0 344.463 1.435 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998081556 705302250 /nfs/dbraw/zinc/30/22/50/705302250.db2.gz JKLYYBDXSFVFDS-UONOGXRCSA-N 2 0 349.479 1.609 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082563 705310295 /nfs/dbraw/zinc/31/02/95/705310295.db2.gz QSERIENWVRWZJV-YJBOKZPZSA-N 2 0 330.476 1.608 20 0 EDADRP Cc1cccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998083042 705311683 /nfs/dbraw/zinc/31/16/83/705311683.db2.gz UEGIHCSEPVJZSJ-FUHWJXTLSA-N 2 0 344.503 1.916 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000998271637 705651475 /nfs/dbraw/zinc/65/14/75/705651475.db2.gz ANHZLLSTISLACB-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1nc(C)c(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998269877 705651991 /nfs/dbraw/zinc/65/19/91/705651991.db2.gz PJXMWNMZCCLKMH-UHFFFAOYSA-N 2 0 348.495 1.030 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000998284542 705679530 /nfs/dbraw/zinc/67/95/30/705679530.db2.gz DPSLVEUVXZJRNF-SFHVURJKSA-N 2 0 337.508 1.727 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1 ZINC001032626870 705729142 /nfs/dbraw/zinc/72/91/42/705729142.db2.gz NELPTHQSAQHIJF-WDSOQIARSA-N 2 0 327.472 1.999 20 0 EDADRP CCc1[nH]nc(Cl)c1CNCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000921654787 705842296 /nfs/dbraw/zinc/84/22/96/705842296.db2.gz YDMWCHQYUJPYCU-AWEZNQCLSA-N 2 0 341.887 1.658 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731569 706164415 /nfs/dbraw/zinc/16/44/15/706164415.db2.gz OLDWPTNXEFUVKW-QAPCUYQASA-N 2 0 345.491 1.394 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998732354 706165252 /nfs/dbraw/zinc/16/52/52/706165252.db2.gz RSAVQSWPUDFNEZ-IRXDYDNUSA-N 2 0 333.480 1.175 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998781992 706222902 /nfs/dbraw/zinc/22/29/02/706222902.db2.gz ZUPPDXZGDGSKFB-DAWZGUTISA-N 2 0 345.491 1.149 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998791153 706238130 /nfs/dbraw/zinc/23/81/30/706238130.db2.gz ISQKAHXJZQLGOJ-BLYZHGLHSA-N 2 0 337.493 1.266 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC000998794718 706241564 /nfs/dbraw/zinc/24/15/64/706241564.db2.gz FUSSQTOOZZDQEO-RKHAHWSXSA-N 2 0 333.480 1.148 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000998864857 706294452 /nfs/dbraw/zinc/29/44/52/706294452.db2.gz CMAZEUSZEDVPHC-VJFUWPCTSA-N 2 0 347.507 1.682 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cc(C)ncn2)C1 ZINC000998866494 706296367 /nfs/dbraw/zinc/29/63/67/706296367.db2.gz KEXUVCNGAKYPOL-VJFUWPCTSA-N 2 0 345.491 1.738 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(CC)nn2)C1 ZINC000998866501 706296525 /nfs/dbraw/zinc/29/65/25/706296525.db2.gz KLQFRZSZRDXGAT-BDVYOWHSSA-N 2 0 348.495 1.251 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998901306 706337592 /nfs/dbraw/zinc/33/75/92/706337592.db2.gz MFHKUZOMBJFTIZ-PQUAAJSLSA-N 2 0 347.507 1.762 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC(NCc2noc(C3CC3)n2)C1 ZINC000998989594 706421343 /nfs/dbraw/zinc/42/13/43/706421343.db2.gz ULZZJKLIDADZAG-YMAMQOFZSA-N 2 0 347.463 1.510 20 0 EDADRP Cc1cnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)o1 ZINC000946517892 706555013 /nfs/dbraw/zinc/55/50/13/706555013.db2.gz LMXXMVNAQNAXIG-BBWFWOEESA-N 2 0 346.475 1.748 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144743 706558485 /nfs/dbraw/zinc/55/84/85/706558485.db2.gz NIWVFXNIMPMPOO-RDJZCZTQSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999145043 706558542 /nfs/dbraw/zinc/55/85/42/706558542.db2.gz OWCUJHLJWUVEEW-ZFWWWQNUSA-N 2 0 337.493 1.492 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999376322 706870619 /nfs/dbraw/zinc/87/06/19/706870619.db2.gz VTVZDNRYFNEBFW-YJBOKZPZSA-N 2 0 346.475 1.511 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1)C1CC1 ZINC000999369608 706883540 /nfs/dbraw/zinc/88/35/40/706883540.db2.gz JOJGQYXUEUQFLE-CABCVRRESA-N 2 0 329.435 1.953 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999372183 706886666 /nfs/dbraw/zinc/88/66/66/706886666.db2.gz OLHXLXJNPSMYRG-QAPCUYQASA-N 2 0 348.491 1.966 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999509036 707006751 /nfs/dbraw/zinc/00/67/51/707006751.db2.gz IRMBFZAWWVVMAB-IRXDYDNUSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999510134 707008094 /nfs/dbraw/zinc/00/80/94/707008094.db2.gz UQHCQFWQLBUADX-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nonc1CN[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571865 707077480 /nfs/dbraw/zinc/07/74/80/707077480.db2.gz AYGIKJMGBJMPPT-RDJZCZTQSA-N 2 0 349.479 1.579 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779263 707238980 /nfs/dbraw/zinc/23/89/80/707238980.db2.gz LUWNTRBZGOHWJL-XDNAFOTISA-N 2 0 337.508 1.534 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]2CC1)[NH+](C)C ZINC000946784711 707313788 /nfs/dbraw/zinc/31/37/88/707313788.db2.gz PRQYKLASEXPMSM-BBWFWOEESA-N 2 0 347.507 1.431 20 0 EDADRP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279598 707347092 /nfs/dbraw/zinc/34/70/92/707347092.db2.gz VQHJGHAGZVPALW-NNVNDSJASA-N 2 0 349.519 1.819 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279715 707347472 /nfs/dbraw/zinc/34/74/72/707347472.db2.gz WOGPIEXXGJISSS-NRGCRIOASA-N 2 0 347.503 1.573 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999792168 707363003 /nfs/dbraw/zinc/36/30/03/707363003.db2.gz MVDIFKQYWDSSOM-RTBURBONSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993897 707671715 /nfs/dbraw/zinc/67/17/15/707671715.db2.gz WWIIEQNZAFCGFC-IRXDYDNUSA-N 2 0 348.495 1.422 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001000084173 707693373 /nfs/dbraw/zinc/69/33/73/707693373.db2.gz YAZLOCSATSEFGY-INIZCTEOSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392174 707725371 /nfs/dbraw/zinc/72/53/71/707725371.db2.gz ZJDOXEULMXJSKX-QGZVFWFLSA-N 2 0 333.480 1.103 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCC3CCOCC3)C2)C1 ZINC001033419555 707827603 /nfs/dbraw/zinc/82/76/03/707827603.db2.gz JYOUEWPWTCBXIF-WMZOPIPTSA-N 2 0 337.508 1.678 20 0 EDADRP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000921705301 707864537 /nfs/dbraw/zinc/86/45/37/707864537.db2.gz SDIZZEJDMBQZQH-HZPDHXFCSA-N 2 0 349.475 1.352 20 0 EDADRP C[C@H](c1cnccn1)N1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475321 707964995 /nfs/dbraw/zinc/96/49/95/707964995.db2.gz OKIAUGPJFBSVDH-WBVHZDCISA-N 2 0 345.491 1.802 20 0 EDADRP O=c1[nH]c2cccc(C[NH2+][C@@H]3CCN(CCN4CCOCC4)C3)c2o1 ZINC000921747054 707967912 /nfs/dbraw/zinc/96/79/12/707967912.db2.gz LLFGXNHZDCPHQB-OAHLLOKOSA-N 2 0 346.431 1.030 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2cccc(F)c2)C1 ZINC001032781405 707968463 /nfs/dbraw/zinc/96/84/63/707968463.db2.gz UJZVRHLVHQSGEU-WDSOQIARSA-N 2 0 345.462 1.995 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2c3c(nn2C)CCOC3)C[C@H](C)O1 ZINC000921758303 707988542 /nfs/dbraw/zinc/98/85/42/707988542.db2.gz CQGNTPMERDZRJM-GASCZTMLSA-N 2 0 336.480 1.472 20 0 EDADRP Cc1nccc(NC[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC001060949232 708021175 /nfs/dbraw/zinc/02/11/75/708021175.db2.gz NFAXRWQAMSVUEF-YJBOKZPZSA-N 2 0 343.475 1.920 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCOC2)c1 ZINC001032799579 708078792 /nfs/dbraw/zinc/07/87/92/708078792.db2.gz DDKSSGPXAULRAF-WDSOQIARSA-N 2 0 343.471 1.683 20 0 EDADRP Cc1nnc([C@@H](C)N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005182120 708127841 /nfs/dbraw/zinc/12/78/41/708127841.db2.gz CTSYXKPCSRRXJT-DOMZBBRYSA-N 2 0 335.452 1.456 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001005183452 708133925 /nfs/dbraw/zinc/13/39/25/708133925.db2.gz IPFJWCLRBPZCST-CABCVRRESA-N 2 0 345.434 1.428 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCn3cccn3)C2)CC1 ZINC001033524265 708137857 /nfs/dbraw/zinc/13/78/57/708137857.db2.gz GHPMGPHZCZCCPR-KRWDZBQOSA-N 2 0 333.480 1.148 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033593853 708294554 /nfs/dbraw/zinc/29/45/54/708294554.db2.gz NEKULXPZKXFPEU-AWEZNQCLSA-N 2 0 327.419 1.660 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033584085 708309388 /nfs/dbraw/zinc/30/93/88/708309388.db2.gz ZXYFZYVIUYGOKM-DZGCQCFKSA-N 2 0 329.435 1.906 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001824179 708326572 /nfs/dbraw/zinc/32/65/72/708326572.db2.gz DVIPCPSKWTZRKJ-PBHICJAKSA-N 2 0 345.491 1.311 20 0 EDADRP Cc1cc(CN2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835486 708339703 /nfs/dbraw/zinc/33/97/03/708339703.db2.gz WXPOJPVWCXCJEN-KDOFPFPSSA-N 2 0 347.507 1.254 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)n1 ZINC001033666566 708451972 /nfs/dbraw/zinc/45/19/72/708451972.db2.gz YPDCPDZVXPUPSL-QZTJIDSGSA-N 2 0 330.476 1.683 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033659176 708470535 /nfs/dbraw/zinc/47/05/35/708470535.db2.gz BTVRPNAEZLZDSN-HZPDHXFCSA-N 2 0 349.450 1.689 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685361 708499561 /nfs/dbraw/zinc/49/95/61/708499561.db2.gz SNDUXTWGXFSFGT-QAPCUYQASA-N 2 0 333.476 1.929 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001002047374 708538116 /nfs/dbraw/zinc/53/81/16/708538116.db2.gz XOWMPQMBOVLQSL-DLBZAZTESA-N 2 0 325.497 1.317 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042697 708564441 /nfs/dbraw/zinc/56/44/41/708564441.db2.gz GMIVZRMCBPQRML-UHFFFAOYSA-N 2 0 342.487 1.814 20 0 EDADRP COc1cccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001002120051 708633533 /nfs/dbraw/zinc/63/35/33/708633533.db2.gz FAGHIKOLKZXSQD-GOSISDBHSA-N 2 0 345.487 1.975 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002121141 708634919 /nfs/dbraw/zinc/63/49/19/708634919.db2.gz ORLQSCKXADZPRX-GOSISDBHSA-N 2 0 330.476 1.670 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(Cc2cnoc2C)C1 ZINC001033830237 708851740 /nfs/dbraw/zinc/85/17/40/708851740.db2.gz GFPCPNCMSLXDCQ-QZTJIDSGSA-N 2 0 346.475 1.748 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033830968 708852857 /nfs/dbraw/zinc/85/28/57/708852857.db2.gz QRXVAIDNTKFKFC-PKOBYXMFSA-N 2 0 349.519 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033831135 708853433 /nfs/dbraw/zinc/85/34/33/708853433.db2.gz TUEOXZOHTSXDFU-RTBURBONSA-N 2 0 342.487 1.846 20 0 EDADRP CN(C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CCN(Cc2ccon2)CC1 ZINC001005392121 708865565 /nfs/dbraw/zinc/86/55/65/708865565.db2.gz WUMQQEYXJYQCDL-MAUKXSAKSA-N 2 0 346.475 1.972 20 0 EDADRP CN(C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CCN(Cc2ccon2)CC1 ZINC001005392122 708865813 /nfs/dbraw/zinc/86/58/13/708865813.db2.gz WUMQQEYXJYQCDL-QAPCUYQASA-N 2 0 346.475 1.972 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033877276 708946735 /nfs/dbraw/zinc/94/67/35/708946735.db2.gz DNVJWDVSEQWMFS-MRXNPFEDSA-N 2 0 330.432 1.826 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033878938 708966762 /nfs/dbraw/zinc/96/67/62/708966762.db2.gz NDHCKSZPSKZTEC-BBRMVZONSA-N 2 0 330.432 1.560 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCCC1 ZINC001002472629 709005813 /nfs/dbraw/zinc/00/58/13/709005813.db2.gz CKMBEGFROQOMCG-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033896589 709014485 /nfs/dbraw/zinc/01/44/85/709014485.db2.gz INITWESGDHGKSY-GDBMZVCRSA-N 2 0 343.431 1.185 20 0 EDADRP Cc1noc(CCC[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC001034132762 709402911 /nfs/dbraw/zinc/40/29/11/709402911.db2.gz VBZAOFCMRCABNT-HOTGVXAUSA-N 2 0 349.479 1.376 20 0 EDADRP C[NH+](C)CC(=O)N1CCN(C[C@H]2CCC3(CCCCCC3)O2)CC1 ZINC000929259652 709407894 /nfs/dbraw/zinc/40/78/94/709407894.db2.gz IXUREODEHPXQLH-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832283 709443388 /nfs/dbraw/zinc/44/33/88/709443388.db2.gz LMTHQRBWWLKFBB-IBGZPJMESA-N 2 0 342.487 1.812 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C1CCC1 ZINC001002835026 709450784 /nfs/dbraw/zinc/45/07/84/709450784.db2.gz WOHVAVXBFPMNPX-MOPGFXCFSA-N 2 0 349.519 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001002954648 709655291 /nfs/dbraw/zinc/65/52/91/709655291.db2.gz HOUAJUBSVPURCP-QGZVFWFLSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003011151 709782890 /nfs/dbraw/zinc/78/28/90/709782890.db2.gz MOKCYYMXCYXVJN-SFHVURJKSA-N 2 0 347.507 1.727 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)[NH+]1CCCCCC1 ZINC001034439635 710015762 /nfs/dbraw/zinc/01/57/62/710015762.db2.gz WJCMYLSJNNGFQG-IAGOWNOFSA-N 2 0 325.497 1.604 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034482121 710106292 /nfs/dbraw/zinc/10/62/92/710106292.db2.gz ZTNPYSMTDZMBKF-QZTJIDSGSA-N 2 0 339.524 1.994 20 0 EDADRP CC[C@@H](F)C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331600 710256076 /nfs/dbraw/zinc/25/60/76/710256076.db2.gz HNXGLCIIXOZKAH-DYDBFVOFSA-N 2 0 339.455 1.178 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC001034607885 710264488 /nfs/dbraw/zinc/26/44/88/710264488.db2.gz UTSQPDBUKHUDCI-YHUYYLMFSA-N 2 0 331.464 1.649 20 0 EDADRP CC1CC(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC001003330775 710265050 /nfs/dbraw/zinc/26/50/50/710265050.db2.gz CSIXTUXYSYPHJS-LMFLDHGRSA-N 2 0 347.503 1.476 20 0 EDADRP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034611143 710285451 /nfs/dbraw/zinc/28/54/51/710285451.db2.gz IEQTWXQJKUVYPP-IIAWOOMASA-N 2 0 334.464 1.848 20 0 EDADRP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034613285 710288366 /nfs/dbraw/zinc/28/83/66/710288366.db2.gz YQRFTNIBBSFUAP-BZUAXINKSA-N 2 0 348.495 1.218 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC001034617954 710292887 /nfs/dbraw/zinc/29/28/87/710292887.db2.gz VURULQNMWHDPFT-KKUMJFAQSA-N 2 0 345.434 1.379 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034608280 710300130 /nfs/dbraw/zinc/30/01/30/710300130.db2.gz YVHPPTCIECJPPI-MPGHIAIKSA-N 2 0 345.491 1.441 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647626 710324356 /nfs/dbraw/zinc/32/43/56/710324356.db2.gz NZGVCXYYOUDUIN-QBPKDAKJSA-N 2 0 347.507 1.760 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034648083 710324865 /nfs/dbraw/zinc/32/48/65/710324865.db2.gz XRYALPXBAJSFRA-BASLNEPJSA-N 2 0 334.464 1.840 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189693 710391233 /nfs/dbraw/zinc/39/12/33/710391233.db2.gz BOYYAMPDQAWUDN-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628678 710458726 /nfs/dbraw/zinc/45/87/26/710458726.db2.gz SRXWFPUAFQSQFW-RDTXWAMCSA-N 2 0 343.487 1.814 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)n1 ZINC001003636122 710463033 /nfs/dbraw/zinc/46/30/33/710463033.db2.gz STQYNFLJWCZNHV-AUUYWEPGSA-N 2 0 344.503 1.977 20 0 EDADRP CN(CCC[NH2+]Cc1csc(-c2ccn(C)n2)n1)CC[NH+](C)C ZINC000922273255 710562757 /nfs/dbraw/zinc/56/27/57/710562757.db2.gz CGWPUXAVRUTYBP-UHFFFAOYSA-N 2 0 336.509 1.517 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@H](CC)C(N)=O)CC1 ZINC001034659662 710589304 /nfs/dbraw/zinc/58/93/04/710589304.db2.gz WWBDWUHAWGRBCP-KLHDSHLOSA-N 2 0 338.496 1.142 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC001034674009 710638024 /nfs/dbraw/zinc/63/80/24/710638024.db2.gz JIXKSMWWSYTJHH-JFIYKMOQSA-N 2 0 347.507 1.730 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034733797 710914329 /nfs/dbraw/zinc/91/43/29/710914329.db2.gz DCCYUPPRBMPNGG-BPUTZDHNSA-N 2 0 334.464 1.842 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034736579 710924007 /nfs/dbraw/zinc/92/40/07/710924007.db2.gz XDTXZGLATLEKIN-JYJNAYRXSA-N 2 0 348.495 1.299 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958947 710981531 /nfs/dbraw/zinc/98/15/31/710981531.db2.gz CKBINHXGGNABLW-CABCVRRESA-N 2 0 336.505 1.621 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC001034776697 711054100 /nfs/dbraw/zinc/05/41/00/711054100.db2.gz XUUHBPSFYFQHIM-TVFCKZIOSA-N 2 0 337.508 1.914 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001034778773 711082610 /nfs/dbraw/zinc/08/26/10/711082610.db2.gz YULASFPWTKVWIV-SHTZXODSSA-N 2 0 331.464 1.033 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335614 711086317 /nfs/dbraw/zinc/08/63/17/711086317.db2.gz SQINCYSHSFYSGB-MJGOQNOKSA-N 2 0 330.476 1.902 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034790942 711103667 /nfs/dbraw/zinc/10/36/67/711103667.db2.gz BMUUKMLHHMBXJY-KZNAEPCWSA-N 2 0 330.476 1.859 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034797033 711130095 /nfs/dbraw/zinc/13/00/95/711130095.db2.gz UFMQDMGPVVVBKR-LDKKBFSKSA-N 2 0 348.495 1.205 20 0 EDADRP CN(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034881287 711281471 /nfs/dbraw/zinc/28/14/71/711281471.db2.gz GQFFYVPFIWKWKT-MJGOQNOKSA-N 2 0 344.503 1.927 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C ZINC001034883357 711285783 /nfs/dbraw/zinc/28/57/83/711285783.db2.gz RLYMPIMDSKHCMP-ZBFHGGJFSA-N 2 0 336.505 1.935 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(F)cn2)CC[N@@H+]1C ZINC001034939829 711442707 /nfs/dbraw/zinc/44/27/07/711442707.db2.gz NNLYFLSLPMFWOL-KBRIMQKVSA-N 2 0 334.439 1.642 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(Cl)n1C)C2 ZINC000922391160 711455520 /nfs/dbraw/zinc/45/55/20/711455520.db2.gz UELMTFOCULBYPR-KQTLUZQSSA-N 2 0 326.872 1.643 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)[C@@H]1C(C)C ZINC000922393910 711459477 /nfs/dbraw/zinc/45/94/77/711459477.db2.gz LPIYRMQPCPSZOO-AKHDSKFASA-N 2 0 332.492 1.789 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@@H]1C(C)C ZINC000922395580 711469274 /nfs/dbraw/zinc/46/92/74/711469274.db2.gz UAQIZZKNJMXOLM-XLMAVXFVSA-N 2 0 334.464 1.445 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033125573 711875948 /nfs/dbraw/zinc/87/59/48/711875948.db2.gz FQGSGZYJTYYFRC-QZTJIDSGSA-N 2 0 347.507 1.370 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127299 711877448 /nfs/dbraw/zinc/87/74/48/711877448.db2.gz UOEQEAWGHQOGJM-MSOLQXFVSA-N 2 0 347.507 1.370 20 0 EDADRP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623780 711925339 /nfs/dbraw/zinc/92/53/39/711925339.db2.gz QTZMUTARBKUDGH-NRSFXHEJSA-N 2 0 337.508 1.532 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncc(C)o3)C[C@H]2CC1)[NH+](C)C ZINC000946642644 712128632 /nfs/dbraw/zinc/12/86/32/712128632.db2.gz OJMHKFRLAZLCCP-IXDOHACOSA-N 2 0 348.491 1.994 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946663033 712292327 /nfs/dbraw/zinc/29/23/27/712292327.db2.gz XVNPAZBSPSLFNX-OKZBNKHCSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000557670598 306232816 /nfs/dbraw/zinc/23/28/16/306232816.db2.gz XFYCRBSYTUWQDO-WMZOPIPTSA-N 2 0 330.476 1.704 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000351511744 282106888 /nfs/dbraw/zinc/10/68/88/282106888.db2.gz WGLVXRMXFXSLLW-UHFFFAOYSA-N 2 0 333.432 1.560 20 0 EDADRP Cc1cc(=O)n2nc(CN3CC[C@@H](C[NH+]4CCCCC4)C3)sc2n1 ZINC000173870487 231056250 /nfs/dbraw/zinc/05/62/50/231056250.db2.gz QPXOMRHXCKWIDK-AWEZNQCLSA-N 2 0 347.488 1.767 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173324616 282241054 /nfs/dbraw/zinc/24/10/54/282241054.db2.gz ICIITGGJFFZQJS-ZWKOTPCHSA-N 2 0 328.460 1.945 20 0 EDADRP C[NH+]1CCC(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000101675820 219154879 /nfs/dbraw/zinc/15/48/79/219154879.db2.gz MIGDHHBKQWWJAE-UHFFFAOYSA-N 2 0 344.503 1.506 20 0 EDADRP CC[N@H+](CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C(C)C ZINC000102479756 219206615 /nfs/dbraw/zinc/20/66/15/219206615.db2.gz HQXSSYGYGJNFJU-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000412325177 303996407 /nfs/dbraw/zinc/99/64/07/303996407.db2.gz WYTVFBAXNXRWME-HUUCEWRRSA-N 2 0 340.512 1.260 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@H](Cc3ccccc3)C2)C1 ZINC000560961012 306281235 /nfs/dbraw/zinc/28/12/35/306281235.db2.gz DXIUXGFCECHVIA-QZTJIDSGSA-N 2 0 331.460 1.127 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000561156258 306283085 /nfs/dbraw/zinc/28/30/85/306283085.db2.gz UCFVLAOOAJAIQC-WBVHZDCISA-N 2 0 333.480 1.012 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333927423 295784622 /nfs/dbraw/zinc/78/46/22/295784622.db2.gz WJAWTKKLXDUKGL-ICUGJSFKSA-N 2 0 334.508 1.938 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000343014474 539776417 /nfs/dbraw/zinc/77/64/17/539776417.db2.gz OPXJIMRVEBXEJQ-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000349815211 282946653 /nfs/dbraw/zinc/94/66/53/282946653.db2.gz ZPXCDUOVNXXGER-QHCPKHFHSA-N 2 0 337.533 1.930 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487583000 540025304 /nfs/dbraw/zinc/02/53/04/540025304.db2.gz HZDMVVXFPJMAFW-UAGQMJEPSA-N 2 0 340.512 1.394 20 0 EDADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)CC2 ZINC000279918865 540069797 /nfs/dbraw/zinc/06/97/97/540069797.db2.gz ABKHHXSAYMUOMQ-YOEHRIQHSA-N 2 0 333.476 1.917 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000417828691 291071586 /nfs/dbraw/zinc/07/15/86/291071586.db2.gz FUURKCBQMCZMJC-RDJZCZTQSA-N 2 0 334.464 1.002 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@H]21 ZINC000367638874 283135035 /nfs/dbraw/zinc/13/50/35/283135035.db2.gz RKPKODYERAUXSM-OWCLPIDISA-N 2 0 329.510 1.120 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000563424130 306332438 /nfs/dbraw/zinc/33/24/38/306332438.db2.gz JRUNSIGGVJWSHS-MELADBBJSA-N 2 0 343.518 1.761 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000097126716 138296363 /nfs/dbraw/zinc/29/63/63/138296363.db2.gz IDSQXKWODXGUDZ-IBGZPJMESA-N 2 0 344.503 1.504 20 0 EDADRP CC(C)c1nc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)c2ccccn21 ZINC000563965015 306353630 /nfs/dbraw/zinc/35/36/30/306353630.db2.gz RXBXSAOLQPVQOD-QGZVFWFLSA-N 2 0 343.475 1.887 20 0 EDADRP CCC[NH2+]CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417762467 283388139 /nfs/dbraw/zinc/38/81/39/283388139.db2.gz ITIGHPGOEYNVQB-UHFFFAOYSA-N 2 0 339.528 1.236 20 0 EDADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564849609 306367289 /nfs/dbraw/zinc/36/72/89/306367289.db2.gz NJUXRMANWMKZEX-QAPCUYQASA-N 2 0 337.464 1.300 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000564892081 306368593 /nfs/dbraw/zinc/36/85/93/306368593.db2.gz PTBXQEZKEZOIEL-UHFFFAOYSA-N 2 0 330.436 1.009 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564937723 306370547 /nfs/dbraw/zinc/37/05/47/306370547.db2.gz MQVWPKHVARDTDE-YHUYYLMFSA-N 2 0 340.512 1.643 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000366488976 296018429 /nfs/dbraw/zinc/01/84/29/296018429.db2.gz VRFZMBMKLINROO-MJGOQNOKSA-N 2 0 349.519 1.964 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)N3CCC[C@H](C[NH3+])C3)c2C1 ZINC000565645776 306388736 /nfs/dbraw/zinc/38/87/36/306388736.db2.gz DFVLZTIPYRPKNS-CQSZACIVSA-N 2 0 344.459 1.548 20 0 EDADRP C[C@@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000565949053 306395268 /nfs/dbraw/zinc/39/52/68/306395268.db2.gz LDZVTPOIFSAQBQ-DLBZAZTESA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)n1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414477812 304117881 /nfs/dbraw/zinc/11/78/81/304117881.db2.gz CNZAZOUQNHHZNL-UHFFFAOYSA-N 2 0 335.496 1.350 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc3c2OCO3)(N2CCOCC2)CC1 ZINC000414483096 304118566 /nfs/dbraw/zinc/11/85/66/304118566.db2.gz MNXJEPZNGZAIJG-UHFFFAOYSA-N 2 0 347.459 1.302 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414709703 304131330 /nfs/dbraw/zinc/13/13/30/304131330.db2.gz RPHVXGFDBCUDQJ-ZDUSSCGKSA-N 2 0 332.448 1.117 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000414735923 304134840 /nfs/dbraw/zinc/13/48/40/304134840.db2.gz MERDKIXWAWGNLL-PBHICJAKSA-N 2 0 344.459 1.732 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000414743136 304136090 /nfs/dbraw/zinc/13/60/90/304136090.db2.gz VEOVOXCRVZSDRU-HOTGVXAUSA-N 2 0 345.491 1.948 20 0 EDADRP COc1cc2c(cc1C[NH+]1CCC([C@@H]3OCC[C@H]3[NH3+])CC1)OCO2 ZINC000414764831 304138618 /nfs/dbraw/zinc/13/86/18/304138618.db2.gz BDSVQYOHBBYLHI-KDOFPFPSSA-N 2 0 334.416 1.752 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1CN1CCCO[C@H](C[NH3+])C1 ZINC000415102906 304160142 /nfs/dbraw/zinc/16/01/42/304160142.db2.gz DZHRZDYEVMXXGO-OAHLLOKOSA-N 2 0 338.452 1.001 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000236739667 139029991 /nfs/dbraw/zinc/02/99/91/139029991.db2.gz BDUJQTFTLURUDE-RDJZCZTQSA-N 2 0 333.476 1.986 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000236946418 139035790 /nfs/dbraw/zinc/03/57/90/139035790.db2.gz LVCDIUMYHFRQSO-SJORKVTESA-N 2 0 346.475 1.919 20 0 EDADRP COCC[NH2+]CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000237244645 139045575 /nfs/dbraw/zinc/04/55/75/139045575.db2.gz KOGJGDBHWZLMJC-UHFFFAOYSA-N 2 0 337.489 1.718 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000237282174 139046470 /nfs/dbraw/zinc/04/64/70/139046470.db2.gz CDDGMBCEQKOXDI-GOSISDBHSA-N 2 0 331.460 1.948 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000415203919 304174127 /nfs/dbraw/zinc/17/41/27/304174127.db2.gz UQXDKWDWUHMDCF-AWEZNQCLSA-N 2 0 332.448 1.589 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1 ZINC000415224705 304176109 /nfs/dbraw/zinc/17/61/09/304176109.db2.gz BFRITQXXOYQJFS-CQSZACIVSA-N 2 0 334.464 1.580 20 0 EDADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000567821700 306464438 /nfs/dbraw/zinc/46/44/38/306464438.db2.gz IBXAXMANOQVARU-OAHLLOKOSA-N 2 0 346.479 1.121 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000415297325 304188145 /nfs/dbraw/zinc/18/81/45/304188145.db2.gz NMJXUCQSPYJHCN-ZDUSSCGKSA-N 2 0 332.448 1.635 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)cc2)C1 ZINC000415334521 304196751 /nfs/dbraw/zinc/19/67/51/304196751.db2.gz SNIFSXQSHURELM-PBHICJAKSA-N 2 0 344.459 1.335 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000247141705 139137351 /nfs/dbraw/zinc/13/73/51/139137351.db2.gz HUIDTGYJYRFDFR-DOTOQJQBSA-N 2 0 340.512 1.517 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247283624 139143473 /nfs/dbraw/zinc/14/34/73/139143473.db2.gz SKISEHDVEXETKG-IRXDYDNUSA-N 2 0 342.528 1.763 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000247982626 139156844 /nfs/dbraw/zinc/15/68/44/139156844.db2.gz NCLYCCXZCXUKTF-YQQAZPJKSA-N 2 0 325.497 1.674 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093124125 218194361 /nfs/dbraw/zinc/19/43/61/218194361.db2.gz CUATVZKNHOQISF-UHFFFAOYSA-N 2 0 349.479 1.175 20 0 EDADRP C[NH+]1CCC(NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000093134839 218196070 /nfs/dbraw/zinc/19/60/70/218196070.db2.gz DFOLILJFXRVHHH-UHFFFAOYSA-N 2 0 331.464 1.691 20 0 EDADRP C[C@@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568994563 306494468 /nfs/dbraw/zinc/49/44/68/306494468.db2.gz AMKOXJJMCVRFFA-FZKQIMNGSA-N 2 0 348.466 1.882 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000261601450 139209690 /nfs/dbraw/zinc/20/96/90/139209690.db2.gz BKUVSTIIXSEGKQ-GGXPGOJBSA-N 2 0 335.492 1.606 20 0 EDADRP Fc1cccc(-c2nc(CN3CC[C@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000261603359 139209898 /nfs/dbraw/zinc/20/98/98/139209898.db2.gz CBSDGVYDTIVQOA-KRWDZBQOSA-N 2 0 330.407 1.960 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000261823863 139229247 /nfs/dbraw/zinc/22/92/47/139229247.db2.gz SWKPAMOKDMYJRR-OAHLLOKOSA-N 2 0 340.265 1.835 20 0 EDADRP C[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@H](C[NH3+])C1 ZINC000261899052 139235161 /nfs/dbraw/zinc/23/51/61/139235161.db2.gz WCVKPHMKWJMLGF-LPHOPBHVSA-N 2 0 344.503 1.633 20 0 EDADRP C[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C[NH3+])C1 ZINC000261899053 139235171 /nfs/dbraw/zinc/23/51/71/139235171.db2.gz WCVKPHMKWJMLGF-QFBILLFUSA-N 2 0 344.503 1.633 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569199969 306499028 /nfs/dbraw/zinc/49/90/28/306499028.db2.gz DHRPCBCGFNKNKO-HNNXBMFYSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000261953647 139239707 /nfs/dbraw/zinc/23/97/07/139239707.db2.gz IDNFVOJMSOFHHV-AWEZNQCLSA-N 2 0 326.238 1.491 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261991172 139242321 /nfs/dbraw/zinc/24/23/21/139242321.db2.gz SIIGFKWNXKLILW-HUUCEWRRSA-N 2 0 339.480 1.156 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)COCc1cccs1)CN1CC[NH+](C)CC1 ZINC000569232210 306500573 /nfs/dbraw/zinc/50/05/73/306500573.db2.gz NZJOYLGTUMVXPU-CVEARBPZSA-N 2 0 341.521 1.099 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCCC2)cc1 ZINC000415111464 250912731 /nfs/dbraw/zinc/91/27/31/250912731.db2.gz CCUOLIAJBZGVQR-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415952800 251039459 /nfs/dbraw/zinc/03/94/59/251039459.db2.gz FCPGDTBJXGIWCY-ZBFHGGJFSA-N 2 0 349.479 1.376 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000416883396 251117545 /nfs/dbraw/zinc/11/75/45/251117545.db2.gz BNKABKMDYUASEM-GOSISDBHSA-N 2 0 346.475 1.542 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000416989381 251119605 /nfs/dbraw/zinc/11/96/05/251119605.db2.gz MHHODABDZYNEOB-UHFFFAOYSA-N 2 0 347.507 1.361 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417010517 251130368 /nfs/dbraw/zinc/13/03/68/251130368.db2.gz PJRSNGKRXVYMAA-GOSISDBHSA-N 2 0 328.460 1.581 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013673 251133526 /nfs/dbraw/zinc/13/35/26/251133526.db2.gz DAQIKGQHPNKMBW-MRXNPFEDSA-N 2 0 333.480 1.106 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417385205 251161283 /nfs/dbraw/zinc/16/12/83/251161283.db2.gz LUNBLTVAQWLTLD-INIZCTEOSA-N 3 0 348.495 1.020 20 0 EDADRP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262365486 139273536 /nfs/dbraw/zinc/27/35/36/139273536.db2.gz VZXCDGMSXWGDKN-DAYGRLMNSA-N 2 0 333.476 1.754 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417556626 251187285 /nfs/dbraw/zinc/18/72/85/251187285.db2.gz PAPQWJLCNSKUNP-KGLIPLIRSA-N 2 0 332.439 1.937 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417594152 251201319 /nfs/dbraw/zinc/20/13/19/251201319.db2.gz LNMHQORBLLOKHL-SFHVURJKSA-N 2 0 348.491 1.944 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC([NH3+])(CC)CC)[C@@H](C)C1 ZINC000417664201 251219623 /nfs/dbraw/zinc/21/96/23/251219623.db2.gz BBJBTGBFPCSFKV-HOTGVXAUSA-N 2 0 342.528 1.940 20 0 EDADRP COCC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]CC1 ZINC000262418209 139277665 /nfs/dbraw/zinc/27/76/65/139277665.db2.gz UOEKVMLAYXTURY-UHFFFAOYSA-N 2 0 345.487 1.915 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417623626 251209155 /nfs/dbraw/zinc/20/91/55/251209155.db2.gz JZLFELLZJTZEJK-HOCLYGCPSA-N 2 0 334.464 1.485 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000417670637 251223010 /nfs/dbraw/zinc/22/30/10/251223010.db2.gz OPHZTEBXJORKKH-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717548 251240744 /nfs/dbraw/zinc/24/07/44/251240744.db2.gz VFCJMZSSRBWGOM-SJORKVTESA-N 2 0 334.464 1.487 20 0 EDADRP CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000417729767 251247098 /nfs/dbraw/zinc/24/70/98/251247098.db2.gz CNGJRSWWRGKWPU-SFHVURJKSA-N 2 0 344.503 1.869 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]1 ZINC000262443214 139279442 /nfs/dbraw/zinc/27/94/42/139279442.db2.gz TWNJUWOJCZHLFT-YJBOKZPZSA-N 2 0 345.487 1.648 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000417744022 251253091 /nfs/dbraw/zinc/25/30/91/251253091.db2.gz CJOLWNBBTHVIPV-MSOLQXFVSA-N 2 0 348.491 1.339 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C[NH+](C)C ZINC000417847240 251296033 /nfs/dbraw/zinc/29/60/33/251296033.db2.gz ALDAEDNUPRISGG-LSDHHAIUSA-N 2 0 340.512 1.360 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000418123554 251335401 /nfs/dbraw/zinc/33/54/01/251335401.db2.gz ZJWJRBOOFUFXNZ-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418429697 251368971 /nfs/dbraw/zinc/36/89/71/251368971.db2.gz SKXRTLFXBDDHJD-SJORKVTESA-N 2 0 348.491 1.439 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418321398 251359406 /nfs/dbraw/zinc/35/94/06/251359406.db2.gz RXERRVQSLYVBNX-KRWDZBQOSA-N 2 0 339.528 1.045 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262553137 139286204 /nfs/dbraw/zinc/28/62/04/139286204.db2.gz ZQWJJYVXKQVGPS-CHWSQXEVSA-N 2 0 347.463 1.824 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]([NH3+])c3ccc(C)cc3)CC2)c1 ZINC000262609135 139289828 /nfs/dbraw/zinc/28/98/28/139289828.db2.gz BNEGQZNOHSTQNL-SFHVURJKSA-N 2 0 340.427 1.747 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000262633306 139291705 /nfs/dbraw/zinc/29/17/05/139291705.db2.gz GDXDHFGWQKEINQ-UHFFFAOYSA-N 2 0 331.464 1.111 20 0 EDADRP C[C@@H](NC(=O)C[NH2+]CC1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262660731 139294093 /nfs/dbraw/zinc/29/40/93/139294093.db2.gz XPMJPPRCVWWREJ-CQSZACIVSA-N 2 0 348.466 1.754 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2([NH3+])CCCC2)c1 ZINC000262675439 139295369 /nfs/dbraw/zinc/29/53/69/139295369.db2.gz RNPNHJQTIZJDDF-UHFFFAOYSA-N 2 0 346.475 1.968 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343879 251686879 /nfs/dbraw/zinc/68/68/79/251686879.db2.gz RQCKBHQNDOVLKA-VNQPRFMTSA-N 2 0 344.459 1.434 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCCCCn2nnc(-c3ccccc3)n2)CC1 ZINC000420406763 251707510 /nfs/dbraw/zinc/70/75/10/251707510.db2.gz SAEXHHQHQZEHAQ-UHFFFAOYSA-N 2 0 344.463 1.296 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000262736339 139300048 /nfs/dbraw/zinc/30/00/48/139300048.db2.gz FXTUQMNWIQBRSD-CGTJXYLNSA-N 2 0 331.460 1.616 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1C[NH+](C)C ZINC000415594415 304235175 /nfs/dbraw/zinc/23/51/75/304235175.db2.gz KQYBLTPOCNVCPY-XIRDDKMYSA-N 2 0 344.459 1.191 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1)C1CC[NH2+]CC1 ZINC000262804588 139304965 /nfs/dbraw/zinc/30/49/65/139304965.db2.gz OGRAPAMBSPUZJX-GFCCVEGCSA-N 2 0 342.447 1.895 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262847874 139307763 /nfs/dbraw/zinc/30/77/63/139307763.db2.gz JPVJGIZKBOZCGU-CRAIPNDOSA-N 2 0 333.476 1.899 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000262850551 139307865 /nfs/dbraw/zinc/30/78/65/139307865.db2.gz ZOASLBTXYRBVIW-HUUCEWRRSA-N 2 0 329.510 1.041 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccnc2N(C)C)CC[NH2+]CC1 ZINC000422871129 252006326 /nfs/dbraw/zinc/00/63/26/252006326.db2.gz ZVMMTPRQDFHBMT-CQSZACIVSA-N 2 0 334.464 1.559 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000422875010 252008494 /nfs/dbraw/zinc/00/84/94/252008494.db2.gz BHBGZONYXYMSJU-DDUZABMNSA-N 2 0 330.432 1.348 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)cn2)CC1 ZINC000422881949 252010441 /nfs/dbraw/zinc/01/04/41/252010441.db2.gz RIYGPDMCAUBYSH-AEFFLSMTSA-N 3 0 331.508 1.701 20 0 EDADRP COCC[N@@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422890264 252013758 /nfs/dbraw/zinc/01/37/58/252013758.db2.gz RPJFYIKALKESCA-UHOSZYNNSA-N 2 0 333.476 1.799 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)Cc1cccc(Br)c1)C1C[NH2+]C1 ZINC000423074162 252034875 /nfs/dbraw/zinc/03/48/75/252034875.db2.gz KVGQSNAPQBWAPN-AAEUAGOBSA-N 2 0 327.266 1.798 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCN2CC[NH2+]CC2)[C@@H]1Oc1ccccc1 ZINC000423179527 252044728 /nfs/dbraw/zinc/04/47/28/252044728.db2.gz HIKYYIPVXXUTLR-OTWHNJEPSA-N 2 0 333.476 1.496 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000423345219 252047069 /nfs/dbraw/zinc/04/70/69/252047069.db2.gz NUAVSCMKORNMJY-LSDHHAIUSA-N 2 0 333.480 1.349 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352266 252051159 /nfs/dbraw/zinc/05/11/59/252051159.db2.gz AEOOBLXAXBOAFD-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)CC2 ZINC000423485321 252055210 /nfs/dbraw/zinc/05/52/10/252055210.db2.gz ZCKKYOGJIOMIGB-KBPBESRZSA-N 2 0 347.459 1.258 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422906228 252018767 /nfs/dbraw/zinc/01/87/67/252018767.db2.gz UQEKNPPBKQLNPW-AWEZNQCLSA-N 2 0 327.494 1.731 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)CCOC3C[NH2+]C3)c2)CC1 ZINC000423841129 252088269 /nfs/dbraw/zinc/08/82/69/252088269.db2.gz JFZNSHKDMXRQBI-UHFFFAOYSA-N 2 0 346.475 1.534 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)c2)CC1 ZINC000423850559 252090727 /nfs/dbraw/zinc/09/07/27/252090727.db2.gz QXWXJIFCZCMNNS-ZWKOTPCHSA-N 2 0 331.460 1.622 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424022284 252115526 /nfs/dbraw/zinc/11/55/26/252115526.db2.gz CTEKLNZNRCDFJD-GOEBONIOSA-N 2 0 328.391 1.854 20 0 EDADRP O=C([C@H]1C[C@H](F)C[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423791155 252075199 /nfs/dbraw/zinc/07/51/99/252075199.db2.gz HAFABJMARXIKSH-JKSUJKDBSA-N 2 0 327.444 1.037 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000423793570 252077120 /nfs/dbraw/zinc/07/71/20/252077120.db2.gz XFLWRGDDSOGDND-MRXNPFEDSA-N 2 0 332.448 1.253 20 0 EDADRP O=C(CC1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423804457 252082835 /nfs/dbraw/zinc/08/28/35/252082835.db2.gz XYRMYRILQNFIBQ-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)CC1CCCCC1 ZINC000424176786 252155116 /nfs/dbraw/zinc/15/51/16/252155116.db2.gz PIJXNNSHMSQZSH-MSOLQXFVSA-N 2 0 336.524 1.570 20 0 EDADRP Cn1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424182445 252156417 /nfs/dbraw/zinc/15/64/17/252156417.db2.gz ZGUDWXMNODWFBH-RBSFLKMASA-N 2 0 333.480 1.382 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424201384 252159804 /nfs/dbraw/zinc/15/98/04/252159804.db2.gz RWFMCWIPRURZRW-CVEARBPZSA-N 2 0 342.447 1.413 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424132569 252135397 /nfs/dbraw/zinc/13/53/97/252135397.db2.gz KXYGGEKALXWZPC-HNNXBMFYSA-N 2 0 347.507 1.737 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC(CC(=O)OC)C3)cn2)CC1 ZINC000424263434 252183814 /nfs/dbraw/zinc/18/38/14/252183814.db2.gz HEPDGMNUANJNMU-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424298174 252191750 /nfs/dbraw/zinc/19/17/50/252191750.db2.gz UANPNOWEHRVDAI-UHFFFAOYSA-N 2 0 333.480 1.772 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424412833 252217641 /nfs/dbraw/zinc/21/76/41/252217641.db2.gz BRXNJDOQDNQMTD-UHFFFAOYSA-N 2 0 347.507 1.991 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000262968065 139315898 /nfs/dbraw/zinc/31/58/98/139315898.db2.gz XIFGUQJGFHTYAR-ZWKOTPCHSA-N 2 0 344.503 1.764 20 0 EDADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262973857 139316282 /nfs/dbraw/zinc/31/62/82/139316282.db2.gz MCPIKKYCSBUUOB-HKUYNNGSSA-N 2 0 337.508 1.997 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899968 252313549 /nfs/dbraw/zinc/31/35/49/252313549.db2.gz MQPKBTHECBMZKK-INIZCTEOSA-N 3 0 349.523 1.505 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000415620436 304240546 /nfs/dbraw/zinc/24/05/46/304240546.db2.gz ITZWCTGSLAOFAB-PBHICJAKSA-N 2 0 346.475 1.581 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376675932 285010426 /nfs/dbraw/zinc/01/04/26/285010426.db2.gz XOZLKSNKFKQTPA-RDJZCZTQSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263283183 139332996 /nfs/dbraw/zinc/33/29/96/139332996.db2.gz UOULUHNUNYDEJR-PUYPPJJSSA-N 2 0 331.229 1.689 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)COC(C)C)CC2)CC1 ZINC000112412422 220323371 /nfs/dbraw/zinc/32/33/71/220323371.db2.gz CRPZKOLEOJKDKQ-GOSISDBHSA-N 2 0 327.513 1.264 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415693573 304257340 /nfs/dbraw/zinc/25/73/40/304257340.db2.gz UFWXXOZNRAEDJH-HNNXBMFYSA-N 2 0 346.475 1.317 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O)c(OC)c1 ZINC000442646866 254553834 /nfs/dbraw/zinc/55/38/34/254553834.db2.gz IHBBJPYIHYGBRU-MRXNPFEDSA-N 2 0 349.475 1.889 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000263761330 139358440 /nfs/dbraw/zinc/35/84/40/139358440.db2.gz KZOSMSHOYXNFHX-KRWDZBQOSA-N 2 0 336.480 1.037 20 0 EDADRP O=C(CN1C[C@@H]2C[C@H]1CS2)N1CCN(Cc2ccsc2)CC1 ZINC000459800106 255003438 /nfs/dbraw/zinc/00/34/38/255003438.db2.gz YZXUKXOOJFYWAJ-GJZGRUSLSA-N 2 0 337.514 1.582 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000487173192 255027965 /nfs/dbraw/zinc/02/79/65/255027965.db2.gz UWFHGRUNLQBPDO-AEFFLSMTSA-N 2 0 337.508 1.535 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557457 255032777 /nfs/dbraw/zinc/03/27/77/255032777.db2.gz JVOQBJBHDFIFMC-GDAAHCPNSA-N 2 0 327.472 1.775 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CSC[C@H]1C ZINC000357763390 285246268 /nfs/dbraw/zinc/24/62/68/285246268.db2.gz RNNDHBOIIZBDJT-OAGGEKHMSA-N 2 0 342.553 1.795 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000491684515 255140851 /nfs/dbraw/zinc/14/08/51/255140851.db2.gz FUITYCLPFCVKTA-WAYWQWQTSA-N 2 0 332.404 1.212 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)C=Cc1c[nH]cn1 ZINC000493129976 255192842 /nfs/dbraw/zinc/19/28/42/255192842.db2.gz WCIOPURMGYGFFK-PLNGDYQASA-N 2 0 329.404 1.465 20 0 EDADRP CN1CCC(CNC(=O)CC[C@@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000494647748 255256409 /nfs/dbraw/zinc/25/64/09/255256409.db2.gz JAZUOSAGRCWPOJ-KRWDZBQOSA-N 2 0 336.524 1.585 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494702049 255258765 /nfs/dbraw/zinc/25/87/65/255258765.db2.gz HAUYQMFGHPZOCS-HOCLYGCPSA-N 2 0 334.464 1.226 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415797162 304273372 /nfs/dbraw/zinc/27/33/72/304273372.db2.gz YHTHQOOVGOBIOQ-KBPBESRZSA-N 2 0 332.448 1.463 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796072 285277859 /nfs/dbraw/zinc/27/78/59/285277859.db2.gz FLGMNHSEZZTNCU-SJORKVTESA-N 2 0 340.512 1.423 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC[C@H]1C ZINC000248698855 285282403 /nfs/dbraw/zinc/28/24/03/285282403.db2.gz KKXMIZJBYNTGLL-CVEARBPZSA-N 2 0 346.541 1.063 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000166708709 533621274 /nfs/dbraw/zinc/62/12/74/533621274.db2.gz WSOIZRHDWRGYSX-MRXNPFEDSA-N 2 0 349.500 1.861 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000266958570 139572993 /nfs/dbraw/zinc/57/29/93/139572993.db2.gz ZFGJNZGXUNRFJH-MJGOQNOKSA-N 2 0 344.503 1.607 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000416237850 304298892 /nfs/dbraw/zinc/29/88/92/304298892.db2.gz CTWXWXKEVVKMFB-SQNIBIBYSA-N 2 0 331.460 1.611 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000268258693 139750350 /nfs/dbraw/zinc/75/03/50/139750350.db2.gz IHPNQSRGKYQQBQ-YOEHRIQHSA-N 2 0 346.475 1.404 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270636533 140138986 /nfs/dbraw/zinc/13/89/86/140138986.db2.gz HAJNCKKQGVCIGU-CQSZACIVSA-N 2 0 337.468 1.161 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000333186057 141277751 /nfs/dbraw/zinc/27/77/51/141277751.db2.gz SXMAJMKQUGWTKD-MSOLQXFVSA-N 2 0 343.475 1.995 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000333251547 141287923 /nfs/dbraw/zinc/28/79/23/141287923.db2.gz GVZSJBSWTYZCQN-HZSPNIEDSA-N 2 0 343.518 1.489 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000333551898 141335437 /nfs/dbraw/zinc/33/54/37/141335437.db2.gz KIBIVPRXXYOPQH-IRXDYDNUSA-N 2 0 338.496 1.461 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333666572 141352926 /nfs/dbraw/zinc/35/29/26/141352926.db2.gz MKKUZUCBNDTBCX-GBESFXJTSA-N 2 0 342.487 1.916 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000333672131 141354032 /nfs/dbraw/zinc/35/40/32/141354032.db2.gz NGXLIGLGSVWANH-AETAKHFUSA-N 2 0 348.466 1.898 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000333698674 141360845 /nfs/dbraw/zinc/36/08/45/141360845.db2.gz QNBVOEBTEORHTM-HOTGVXAUSA-N 2 0 338.496 1.034 20 0 EDADRP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701018 141361137 /nfs/dbraw/zinc/36/11/37/141361137.db2.gz QUYTXKNXMLGDET-OWCLPIDISA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000333739143 141370240 /nfs/dbraw/zinc/37/02/40/141370240.db2.gz XIIPKSCMVJWLSV-HZPDHXFCSA-N 2 0 338.496 1.543 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000333864706 141397070 /nfs/dbraw/zinc/39/70/70/141397070.db2.gz APDWPCAWDAQYBB-INIZCTEOSA-N 2 0 338.496 1.463 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000333136242 299664268 /nfs/dbraw/zinc/66/42/68/299664268.db2.gz CIZUMIFDZNCTLO-LSDHHAIUSA-N 2 0 331.464 1.610 20 0 EDADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCOCC1 ZINC000339369364 142029018 /nfs/dbraw/zinc/02/90/18/142029018.db2.gz QRBQRCVCUYOYKQ-MRXNPFEDSA-N 2 0 327.513 1.781 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)CC(C)C ZINC000339632537 142101132 /nfs/dbraw/zinc/10/11/32/142101132.db2.gz TUFYWIDRXUVASW-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000339948434 142209315 /nfs/dbraw/zinc/20/93/15/142209315.db2.gz ZKFRUKVVHGQHAP-QGZVFWFLSA-N 3 0 341.544 1.386 20 0 EDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340236418 142315694 /nfs/dbraw/zinc/31/56/94/142315694.db2.gz KEJPJYVFOWUZLT-JCYILVPMSA-N 2 0 346.537 1.272 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340253446 142320681 /nfs/dbraw/zinc/32/06/81/142320681.db2.gz GOPNKAYPZMEQOB-UYSNPLJNSA-N 2 0 334.526 1.536 20 0 EDADRP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)cc(Cl)c1OC ZINC000647493483 452236929 /nfs/dbraw/zinc/23/69/29/452236929.db2.gz WJRWDZKWQZTLRB-UHFFFAOYSA-N 2 0 327.856 1.694 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@@H+]1C ZINC000343619077 142865218 /nfs/dbraw/zinc/86/52/18/142865218.db2.gz JQPKDBOCBXIIEF-MAUKXSAKSA-N 2 0 348.491 1.909 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H](C)[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000345479637 143096205 /nfs/dbraw/zinc/09/62/05/143096205.db2.gz MTGHKHXIFHFXFY-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000345725871 143126134 /nfs/dbraw/zinc/12/61/34/143126134.db2.gz YBVBTTFBZQFNJQ-HNNXBMFYSA-N 2 0 341.402 1.812 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CCC[N@@H+]1C ZINC000345747908 143128545 /nfs/dbraw/zinc/12/85/45/143128545.db2.gz MVEPSFDICDJPEC-WBVHZDCISA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346130974 143170908 /nfs/dbraw/zinc/17/09/08/143170908.db2.gz ACFYDHZLDFGJBD-ZACQAIPSSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)C1 ZINC000346211180 143179350 /nfs/dbraw/zinc/17/93/50/143179350.db2.gz BSSQOJPFNQVYIW-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP CCc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000346667887 143229001 /nfs/dbraw/zinc/22/90/01/143229001.db2.gz FIWRRZGGCXLOBN-UKRRQHHQSA-N 2 0 336.505 1.786 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346841696 143250703 /nfs/dbraw/zinc/25/07/03/143250703.db2.gz GWTMMECVJPVARE-XIRDDKMYSA-N 2 0 334.464 1.621 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346841694 143250810 /nfs/dbraw/zinc/25/08/10/143250810.db2.gz GWTMMECVJPVARE-USXIJHARSA-N 2 0 334.464 1.621 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346852335 143251831 /nfs/dbraw/zinc/25/18/31/143251831.db2.gz XEKCDQRODQFMTN-BHYGNILZSA-N 2 0 333.480 1.124 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000346979661 143268084 /nfs/dbraw/zinc/26/80/84/143268084.db2.gz MYQJNWNTTSZSHJ-FUHWJXTLSA-N 2 0 339.524 1.972 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)[NH+](C)C1 ZINC000347172475 143290848 /nfs/dbraw/zinc/29/08/48/143290848.db2.gz SZQYPRDGPPAGJC-YYIAUSFCSA-N 2 0 340.512 1.610 20 0 EDADRP COc1ccccc1/C=C\C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227830 143297582 /nfs/dbraw/zinc/29/75/82/143297582.db2.gz WMWXGDBPVCMEQN-GINYUPMKSA-N 2 0 343.471 1.852 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348091425 143399696 /nfs/dbraw/zinc/39/96/96/143399696.db2.gz XVXXZPAYQDRCPW-DLBZAZTESA-N 2 0 342.491 1.944 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000416788151 304349213 /nfs/dbraw/zinc/34/92/13/304349213.db2.gz ATEYFCAYRWQWSB-QGZVFWFLSA-N 2 0 332.448 1.020 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573355212 306619182 /nfs/dbraw/zinc/61/91/82/306619182.db2.gz CPZJHZZTHIZUHI-QCEMKRCNSA-N 2 0 337.489 1.633 20 0 EDADRP COCC[NH+]1CCC(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000340510897 149053761 /nfs/dbraw/zinc/05/37/61/149053761.db2.gz BQFSASGNYLSBNO-FQEVSTJZSA-N 2 0 347.503 1.106 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352960169 149230235 /nfs/dbraw/zinc/23/02/35/149230235.db2.gz CHWSLPGNVWMGRC-AWEZNQCLSA-N 2 0 332.448 1.247 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353087012 149280206 /nfs/dbraw/zinc/28/02/06/149280206.db2.gz LYNLBEBHVGFGCJ-MRXNPFEDSA-N 2 0 348.491 1.911 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000369917772 155231975 /nfs/dbraw/zinc/23/19/75/155231975.db2.gz FLIYVKKLBBLXPW-TXPKVOOTSA-N 2 0 337.508 1.757 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000573578147 306625232 /nfs/dbraw/zinc/62/52/32/306625232.db2.gz HNVJRYKEHISBGB-IAGOWNOFSA-N 2 0 339.505 1.874 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000416973709 304358784 /nfs/dbraw/zinc/35/87/84/304358784.db2.gz KDNUQWGGFNHURJ-HZPDHXFCSA-N 2 0 345.491 1.672 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000416976962 304359235 /nfs/dbraw/zinc/35/92/35/304359235.db2.gz ANICBZNSONDPCX-GDBMZVCRSA-N 2 0 347.463 1.200 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416979351 304360093 /nfs/dbraw/zinc/36/00/93/304360093.db2.gz SDTMOAJAZICJQS-QAPCUYQASA-N 2 0 330.476 1.825 20 0 EDADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000573609631 306626755 /nfs/dbraw/zinc/62/67/55/306626755.db2.gz IJFZREWAXSATCG-GOEBONIOSA-N 2 0 346.479 1.115 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416979675 304360488 /nfs/dbraw/zinc/36/04/88/304360488.db2.gz FHOMDKQSIZCUQO-MRXNPFEDSA-N 2 0 348.495 1.150 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCNC[C@](C)(F)C2)C1 ZINC000417040983 304365265 /nfs/dbraw/zinc/36/52/65/304365265.db2.gz VYFSFVPYISEYEM-INMHGKMJSA-N 2 0 328.476 1.697 20 0 EDADRP CC[C@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000356574820 150696948 /nfs/dbraw/zinc/69/69/48/150696948.db2.gz JEZIRKLERDJKQJ-IRXDYDNUSA-N 2 0 327.513 1.924 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873506 151179995 /nfs/dbraw/zinc/17/99/95/151179995.db2.gz VAMMACGXDOZSPF-DZGCQCFKSA-N 2 0 340.537 1.596 20 0 EDADRP CSC1(CNC(=O)NCC[N@H+]2CC=C(C)CC2)CC[NH+](C)CC1 ZINC000357899579 151187827 /nfs/dbraw/zinc/18/78/27/151187827.db2.gz GCDJDRIIVQLPIP-UHFFFAOYSA-N 2 0 340.537 1.765 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2cccc(NS(C)(=O)=O)c2)[C@@H](C)C1 ZINC000358082101 151263574 /nfs/dbraw/zinc/26/35/74/151263574.db2.gz IZNRABXDJDBIFM-BBRMVZONSA-N 2 0 325.478 1.878 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000358125604 151280167 /nfs/dbraw/zinc/28/01/67/151280167.db2.gz AATOELIHFSAUSW-HOTGVXAUSA-N 2 0 340.512 1.610 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000358169824 151294816 /nfs/dbraw/zinc/29/48/16/151294816.db2.gz RLQOTJOJYLXSRJ-IRXDYDNUSA-N 2 0 342.528 1.857 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000358488270 151392745 /nfs/dbraw/zinc/39/27/45/151392745.db2.gz AOACDHGWGKKSAU-HNNXBMFYSA-N 2 0 333.480 1.890 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359739910 151805029 /nfs/dbraw/zinc/80/50/29/151805029.db2.gz OCUCFQXNTYNNCE-WBVHZDCISA-N 2 0 343.537 1.333 20 0 EDADRP CSC1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC[NH+](C)CC1 ZINC000360688336 152153043 /nfs/dbraw/zinc/15/30/43/152153043.db2.gz CROBLLLUEWIKCC-HNNXBMFYSA-N 2 0 340.537 1.694 20 0 EDADRP Cc1nnc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCCC3)CC2)s1 ZINC000360709793 152163779 /nfs/dbraw/zinc/16/37/79/152163779.db2.gz FQEGLDXDGQABKC-HNNXBMFYSA-N 2 0 339.509 1.252 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000370139888 155344268 /nfs/dbraw/zinc/34/42/68/155344268.db2.gz HROCWAWEJQTARN-LEUOFYLZSA-N 2 0 331.460 1.126 20 0 EDADRP Cc1c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)nnn1-c1ccccc1 ZINC000361176588 152326470 /nfs/dbraw/zinc/32/64/70/152326470.db2.gz XOTIPGJAEGSLTJ-HNNXBMFYSA-N 2 0 343.475 1.931 20 0 EDADRP CC(C)O[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1(C)C ZINC000361238613 152342910 /nfs/dbraw/zinc/34/29/10/152342910.db2.gz VBZKOGQLIBKFOV-MSOLQXFVSA-N 2 0 341.540 1.558 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCN1CCCOCC1 ZINC000361376981 152376497 /nfs/dbraw/zinc/37/64/97/152376497.db2.gz NLMAYWUDUZCSBO-UHFFFAOYSA-N 2 0 326.529 1.058 20 0 EDADRP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000417154620 304378826 /nfs/dbraw/zinc/37/88/26/304378826.db2.gz KQHZGEFFGUNFOT-MAUKXSAKSA-N 2 0 345.491 1.815 20 0 EDADRP CC(C)n1cc(CN2CCCN(C(=O)C[N@H+](C)C(C)C)CC2)cn1 ZINC000364427162 153233470 /nfs/dbraw/zinc/23/34/70/153233470.db2.gz UVTOVHYCLKQIJT-UHFFFAOYSA-N 2 0 335.496 1.839 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417197197 304383472 /nfs/dbraw/zinc/38/34/72/304383472.db2.gz PYKWDXKRGOIAOP-RCCFBDPRSA-N 2 0 348.491 1.307 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@]2(F)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000364866750 286372519 /nfs/dbraw/zinc/37/25/19/286372519.db2.gz AVIQPIYHKQVAJU-WMZOPIPTSA-N 2 0 335.423 1.650 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283284 154065954 /nfs/dbraw/zinc/06/59/54/154065954.db2.gz UIQZLKOVSDPLKT-IRXDYDNUSA-N 2 0 347.459 1.090 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000367408205 154110264 /nfs/dbraw/zinc/11/02/64/154110264.db2.gz PMUIWAGGWGERIE-GOSISDBHSA-N 2 0 335.492 1.624 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](CCc2ccccc2)CC1)C1C[NH2+]C1 ZINC000367653928 154213870 /nfs/dbraw/zinc/21/38/70/154213870.db2.gz RHXXCSFYDVJHDH-MRXNPFEDSA-N 2 0 329.488 1.913 20 0 EDADRP CN[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000367652508 154214598 /nfs/dbraw/zinc/21/45/98/154214598.db2.gz FCXPRCALZCSGFT-KCXAZCMYSA-N 2 0 347.488 1.551 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCNC[C@H]1C(F)F ZINC000367992888 154358824 /nfs/dbraw/zinc/35/88/24/154358824.db2.gz GRFIEKDZBZLBPU-CVEARBPZSA-N 2 0 337.414 1.964 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417340892 304392519 /nfs/dbraw/zinc/39/25/19/304392519.db2.gz NHXRNWCSULFGMW-RKVPGOIHSA-N 2 0 330.476 1.730 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417357668 304394491 /nfs/dbraw/zinc/39/44/91/304394491.db2.gz GUENFMGPULSRSZ-GDBMZVCRSA-N 2 0 334.464 1.424 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000417379041 304395368 /nfs/dbraw/zinc/39/53/68/304395368.db2.gz IPYXAKVXGIMTHQ-OAHLLOKOSA-N 2 0 336.505 1.963 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000369395571 155012455 /nfs/dbraw/zinc/01/24/55/155012455.db2.gz NUGYNNWAYHUBNM-HYVNUMGLSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000417380636 304395890 /nfs/dbraw/zinc/39/58/90/304395890.db2.gz HOBOCIROKJKXEC-INIZCTEOSA-N 2 0 339.528 1.218 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000417475812 304398722 /nfs/dbraw/zinc/39/87/22/304398722.db2.gz BLDIGIDXLMPBBV-FVQHAEBGSA-N 2 0 332.448 1.034 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417485470 304399495 /nfs/dbraw/zinc/39/94/95/304399495.db2.gz WUFJZDUMYJRKGM-YJBOKZPZSA-N 2 0 348.491 1.814 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000417442010 292348997 /nfs/dbraw/zinc/34/89/97/292348997.db2.gz SDOPVQJSNAESAI-USXIJHARSA-N 2 0 338.496 1.256 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000378187212 158103058 /nfs/dbraw/zinc/10/30/58/158103058.db2.gz ZOKTUZWWDCDMTP-AKHDSKFASA-N 2 0 340.508 1.909 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000378205642 158108466 /nfs/dbraw/zinc/10/84/66/158108466.db2.gz NIFUIONHTJLCHJ-ZWKOTPCHSA-N 2 0 330.476 1.233 20 0 EDADRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H](O)COc2ccccc2)CC1 ZINC000378274141 158127089 /nfs/dbraw/zinc/12/70/89/158127089.db2.gz DAXVNNKIOJHKSG-SFHVURJKSA-N 2 0 348.487 1.861 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378361602 158152556 /nfs/dbraw/zinc/15/25/56/158152556.db2.gz SMKQPYSDLVCFIV-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378369030 158155278 /nfs/dbraw/zinc/15/52/78/158155278.db2.gz JFQXDFJIHDVMJN-MRXNPFEDSA-N 2 0 344.503 1.647 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000423751875 304908077 /nfs/dbraw/zinc/90/80/77/304908077.db2.gz BWIZWKPXRFHGCH-UHFFFAOYSA-N 2 0 327.469 1.143 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])ccn1 ZINC000417941028 304435302 /nfs/dbraw/zinc/43/53/02/304435302.db2.gz ADUOZKYFEMCUOU-JKSUJKDBSA-N 2 0 349.479 1.339 20 0 EDADRP CC[N@@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)C[C@H](C)O ZINC000352195682 162043025 /nfs/dbraw/zinc/04/30/25/162043025.db2.gz SKYCGQHMUOWTNQ-SFHVURJKSA-N 2 0 347.503 1.732 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000352208908 162052120 /nfs/dbraw/zinc/05/21/20/162052120.db2.gz VXURNLJAQBHRCL-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000418192065 304463181 /nfs/dbraw/zinc/46/31/81/304463181.db2.gz YFHNXTYSVWDAPL-UBHSHLNASA-N 2 0 328.407 1.960 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000168100162 226208103 /nfs/dbraw/zinc/20/81/03/226208103.db2.gz KEDUDBXECAEWGT-MSOLQXFVSA-N 2 0 331.460 1.158 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000418389470 304489761 /nfs/dbraw/zinc/48/97/61/304489761.db2.gz AENFOBDHUPDNHP-UAGQMJEPSA-N 2 0 334.439 1.555 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171686622 227221255 /nfs/dbraw/zinc/22/12/55/227221255.db2.gz WATZUTBAMIBUBA-OAHLLOKOSA-N 2 0 333.480 1.506 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000418401429 304491841 /nfs/dbraw/zinc/49/18/41/304491841.db2.gz GMDUGJSXWFXLCK-UBDQQSCGSA-N 2 0 346.475 1.567 20 0 EDADRP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)C[C@@H](C)O1 ZINC000422789117 296941716 /nfs/dbraw/zinc/94/17/16/296941716.db2.gz AYKNLMIBZIYACK-HSFUPAIVSA-N 2 0 339.524 1.621 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418496776 304503618 /nfs/dbraw/zinc/50/36/18/304503618.db2.gz GHAPPQXHYGOQFS-ZWKOTPCHSA-N 2 0 341.459 1.042 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000275492747 268351085 /nfs/dbraw/zinc/35/10/85/268351085.db2.gz PSLDAUVPJVCEJT-OAHLLOKOSA-N 2 0 346.475 1.139 20 0 EDADRP Nc1cc[nH+]cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275637490 268367401 /nfs/dbraw/zinc/36/74/01/268367401.db2.gz KAJYIYGWKKBAEG-UHFFFAOYSA-N 3 0 340.431 1.001 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCN(C[C@H](O)c3ccccc3)CC2)CC1 ZINC000273162771 273030731 /nfs/dbraw/zinc/03/07/31/273030731.db2.gz CKXOOOQALFAJNC-IBGZPJMESA-N 2 0 345.487 1.596 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000273546888 273043476 /nfs/dbraw/zinc/04/34/76/273043476.db2.gz UTYBDIKWVZRGJH-QGZVFWFLSA-N 2 0 344.459 1.660 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC3([NH+](C)C)CCC3)CC2)c1 ZINC000275520723 273110842 /nfs/dbraw/zinc/11/08/42/273110842.db2.gz VGQDKDKEXJTCGQ-UHFFFAOYSA-N 2 0 347.463 1.406 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1(C)C ZINC000275808736 273129638 /nfs/dbraw/zinc/12/96/38/273129638.db2.gz QDNAMZTZZRQUGW-JJRVBVJISA-N 2 0 339.505 2.000 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186661864 272946248 /nfs/dbraw/zinc/94/62/48/272946248.db2.gz PVURAJAUCMXSHM-CRAIPNDOSA-N 2 0 330.476 1.556 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cc([C@H]2CC[NH2+]C2)[nH]n1)c1ccccc1 ZINC000278931987 273273118 /nfs/dbraw/zinc/27/31/18/273273118.db2.gz FEXVNKMBLVWUHQ-AWEZNQCLSA-N 2 0 327.432 1.695 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccs1 ZINC000279082157 273279100 /nfs/dbraw/zinc/27/91/00/273279100.db2.gz VGQZZOBYYXFLFW-FZMZJTMJSA-N 2 0 333.461 1.581 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC1(C[NH+](C)C)CCC1 ZINC000281280708 273456680 /nfs/dbraw/zinc/45/66/80/273456680.db2.gz GMIPTWHKOJDIQB-UHFFFAOYSA-N 2 0 347.463 1.453 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000284055892 274063630 /nfs/dbraw/zinc/06/36/30/274063630.db2.gz JVHDGQHSQNZTFI-UXHICEINSA-N 2 0 347.503 1.540 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000284238270 274128843 /nfs/dbraw/zinc/12/88/43/274128843.db2.gz YODUZNGSPCYAHQ-KRWDZBQOSA-N 2 0 346.475 1.006 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000284755765 274319854 /nfs/dbraw/zinc/31/98/54/274319854.db2.gz FUNNEBXMIOWENE-BHIYHBOVSA-N 2 0 344.503 1.117 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2ccc3c[nH+]cn3c2)C[C@@H](C)O1 ZINC000285227976 274488719 /nfs/dbraw/zinc/48/87/19/274488719.db2.gz KJMPFPTZJWAHNT-HUUCEWRRSA-N 2 0 330.432 1.954 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C[C@H]1C ZINC000248649216 287775335 /nfs/dbraw/zinc/77/53/35/287775335.db2.gz VGIVDCBIMQAWDL-ZJPYXAASSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000348640365 275512710 /nfs/dbraw/zinc/51/27/10/275512710.db2.gz HLLBQXQIVFOPMG-GDBMZVCRSA-N 2 0 345.553 1.947 20 0 EDADRP CCC[C@H](C(=O)N1CCC(N2CC[NH+](CCC)CC2)CC1)[NH+](C)C ZINC000367194217 276281461 /nfs/dbraw/zinc/28/14/61/276281461.db2.gz AVHIXQONIIVELH-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000363532385 277062072 /nfs/dbraw/zinc/06/20/72/277062072.db2.gz JFOXNWWHORVVJF-HOTGVXAUSA-N 2 0 339.480 1.252 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCCCN2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000417943853 277166725 /nfs/dbraw/zinc/16/67/25/277166725.db2.gz PHRVQFUQXSNNSF-ROUUACIJSA-N 2 0 345.491 1.026 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090977 277167519 /nfs/dbraw/zinc/16/75/19/277167519.db2.gz VLPZBZOKTBXPFI-NJAFHUGGSA-N 2 0 328.460 1.968 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000422769942 277291509 /nfs/dbraw/zinc/29/15/09/277291509.db2.gz VROPQYIDIXNBNH-YDHLFZDLSA-N 2 0 325.478 1.633 20 0 EDADRP CC(C)(CNC(=O)C[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000269241186 277300183 /nfs/dbraw/zinc/30/01/83/277300183.db2.gz QWOQTHKUJQBUHW-QGZVFWFLSA-N 2 0 331.460 1.318 20 0 EDADRP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000375741155 277354184 /nfs/dbraw/zinc/35/41/84/277354184.db2.gz CNZPTGATTULWON-WMRANVBESA-N 2 0 335.492 1.331 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000125828350 277399108 /nfs/dbraw/zinc/39/91/08/277399108.db2.gz IQUNXFPYMCBQAU-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)C(=O)NCC[NH+](C)C ZINC000358978422 277444887 /nfs/dbraw/zinc/44/48/87/277444887.db2.gz CQANRJIAOLAQRA-NVXWUHKLSA-N 2 0 335.496 1.480 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321346 278351572 /nfs/dbraw/zinc/35/15/72/278351572.db2.gz RJZGZGFYMZBHDZ-HOTGVXAUSA-N 2 0 333.480 1.341 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000358317084 279071278 /nfs/dbraw/zinc/07/12/78/279071278.db2.gz KDUNTFBDPYSWGW-USXIJHARSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885374 279229746 /nfs/dbraw/zinc/22/97/46/279229746.db2.gz ONTWADBWVRWYPN-IAGOWNOFSA-N 2 0 336.524 1.536 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCOC1 ZINC000074131965 279302724 /nfs/dbraw/zinc/30/27/24/279302724.db2.gz BIJPDBLMWPTWTP-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)N1CC[NH+](C)CC1 ZINC000286363306 279348496 /nfs/dbraw/zinc/34/84/96/279348496.db2.gz ZHQAUXZXMWYRSV-CVEARBPZSA-N 2 0 328.464 1.554 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422893478 279363670 /nfs/dbraw/zinc/36/36/70/279363670.db2.gz QSJBKRYXDYCWAV-ROUUACIJSA-N 3 0 330.520 1.912 20 0 EDADRP CCOC1CC([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000286983874 288130675 /nfs/dbraw/zinc/13/06/75/288130675.db2.gz OXXXIQYHRLFEAI-DAWZGUTISA-N 2 0 333.476 1.905 20 0 EDADRP [NH3+]C1(C(=O)N2CC[NH+](CC3CCOCC3)CC2)Cc2ccccc2C1 ZINC000178794372 279614462 /nfs/dbraw/zinc/61/44/62/279614462.db2.gz KXFBGZIZZMPOQJ-UHFFFAOYSA-N 2 0 343.471 1.054 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418123504 288162599 /nfs/dbraw/zinc/16/25/99/288162599.db2.gz ZCSWUGHBULKXAW-OWCLPIDISA-N 2 0 326.485 1.304 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366407058 280021435 /nfs/dbraw/zinc/02/14/35/280021435.db2.gz DDKCXCZVUCNGHM-GJZGRUSLSA-N 2 0 329.448 1.304 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000261692027 280251563 /nfs/dbraw/zinc/25/15/63/280251563.db2.gz HPXYPMWVTIFJSM-DLBZAZTESA-N 2 0 325.497 1.613 20 0 EDADRP CC[NH+](CC)CCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(OC)cc1 ZINC000287421508 288234674 /nfs/dbraw/zinc/23/46/74/288234674.db2.gz YHRNBTCSSNVVIL-KRWDZBQOSA-N 2 0 336.480 1.939 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CCCCC1 ZINC000261604679 289058140 /nfs/dbraw/zinc/05/81/40/289058140.db2.gz CKEOIENEXOJHDX-QMTMVMCOSA-N 2 0 337.508 1.900 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)(C)C ZINC000417681745 289178268 /nfs/dbraw/zinc/17/82/68/289178268.db2.gz QOCCMOFAZKRVCD-JKSUJKDBSA-N 2 0 339.528 1.042 20 0 EDADRP CC[C@H]1CCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000291985686 289231982 /nfs/dbraw/zinc/23/19/82/289231982.db2.gz XIUTYADHCOKIGA-INIZCTEOSA-N 2 0 331.464 1.788 20 0 EDADRP C[C@H](C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000365324679 289286808 /nfs/dbraw/zinc/28/68/08/289286808.db2.gz FVMNOOXUBBHIQR-XMTFNYHQSA-N 2 0 336.524 1.486 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000417025099 293290198 /nfs/dbraw/zinc/29/01/98/293290198.db2.gz XNVNVJCDIWQXTD-GOEBONIOSA-N 2 0 340.493 1.419 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000348131115 293876649 /nfs/dbraw/zinc/87/66/49/293876649.db2.gz ZVIJPBQNVBTCDA-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)([NH+](C)C)C1 ZINC000237690579 299875699 /nfs/dbraw/zinc/87/56/99/299875699.db2.gz FMAXTLCLQAGCMR-KBXCAEBGSA-N 2 0 348.495 1.443 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000344039053 295224186 /nfs/dbraw/zinc/22/41/86/295224186.db2.gz AVJRVTUSPUPULA-SQNIBIBYSA-N 2 0 347.459 1.026 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC000360694198 295577582 /nfs/dbraw/zinc/57/75/82/295577582.db2.gz MAARIYCMEBCIII-ZIAGYGMSSA-N 2 0 328.526 1.405 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418552845 304512052 /nfs/dbraw/zinc/51/20/52/304512052.db2.gz HORLFJCLPMKDRE-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418609082 304518448 /nfs/dbraw/zinc/51/84/48/304518448.db2.gz SGCBYIOKWDTQBA-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000418652562 304525568 /nfs/dbraw/zinc/52/55/68/304525568.db2.gz ZWADQRAGGWMNRT-CQSZACIVSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)[NH+]1CCCCCC1 ZINC000366414234 298063994 /nfs/dbraw/zinc/06/39/94/298063994.db2.gz MYBHLWOPNFGSIF-XMTFNYHQSA-N 2 0 337.508 1.961 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000362942969 298158967 /nfs/dbraw/zinc/15/89/67/298158967.db2.gz RSRHYCQNNJBPFW-MDMSPXHWSA-N 2 0 337.508 1.865 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965300 298876324 /nfs/dbraw/zinc/87/63/24/298876324.db2.gz FLIFCFZULKEYDM-QLFBSQMISA-N 2 0 336.446 1.723 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)NC3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000377713062 447310612 /nfs/dbraw/zinc/31/06/12/447310612.db2.gz RPVZCHWAHOUQFW-PBHICJAKSA-N 2 0 348.495 1.196 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000664538940 453179016 /nfs/dbraw/zinc/17/90/16/453179016.db2.gz KKBIYYFZGOGYNS-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000651195079 453347046 /nfs/dbraw/zinc/34/70/46/453347046.db2.gz AZKNZOCMRVISGK-INIZCTEOSA-N 2 0 342.528 1.451 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)ccc21 ZINC000295196790 303187261 /nfs/dbraw/zinc/18/72/61/303187261.db2.gz YBRDEJWAFUCLAC-ULQDDVLXSA-N 2 0 326.444 1.799 20 0 EDADRP CCCNC(=O)CN1CCC(NC(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000296610233 303326220 /nfs/dbraw/zinc/32/62/20/303326220.db2.gz ZCEDLGZJJBKTBB-GOSISDBHSA-N 2 0 346.475 1.102 20 0 EDADRP Cc1cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)cn2ccnc12 ZINC000297022784 303354541 /nfs/dbraw/zinc/35/45/41/303354541.db2.gz QNFRELMBPSFCIW-UHFFFAOYSA-N 2 0 344.463 1.790 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)C1 ZINC000372877322 447331776 /nfs/dbraw/zinc/33/17/76/447331776.db2.gz KOLKEYOYHQYUHJ-YIOZNXECSA-N 2 0 337.508 1.709 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000419669914 447335473 /nfs/dbraw/zinc/33/54/73/447335473.db2.gz VZWYHWOKELESMB-CVEARBPZSA-N 2 0 340.512 1.245 20 0 EDADRP COc1cc(CNCC2([NH3+])CCC2)ccc1OCC(=O)N1CCCC1 ZINC000414882882 447342412 /nfs/dbraw/zinc/34/24/12/447342412.db2.gz UUTVVXWFZUEHLP-UHFFFAOYSA-N 2 0 347.459 1.667 20 0 EDADRP CC1(C)COCCN1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422703448 304878702 /nfs/dbraw/zinc/87/87/02/304878702.db2.gz HUTHGVKVAXHXLU-YLJYHZDGSA-N 2 0 345.487 1.943 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)C2CCCCC2)CC[NH2+]CC1 ZINC000422705848 304878928 /nfs/dbraw/zinc/87/89/28/304878928.db2.gz SIXRDPRKPGEBSA-GOEBONIOSA-N 2 0 326.481 1.839 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720333 304879126 /nfs/dbraw/zinc/87/91/26/304879126.db2.gz SIJWZNWUHSLHAK-SJORKVTESA-N 3 0 332.496 1.096 20 0 EDADRP COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)CCC[NH3+])C2=O)c(OC)c1 ZINC000423112181 304886862 /nfs/dbraw/zinc/88/68/62/304886862.db2.gz RNVIRXSOZAAEHM-XJKSGUPXSA-N 2 0 335.448 1.522 20 0 EDADRP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423203428 304889328 /nfs/dbraw/zinc/88/93/28/304889328.db2.gz MQAOSCVTNLDTGJ-HXUWFJFHSA-N 2 0 340.471 1.869 20 0 EDADRP C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000423338089 304893174 /nfs/dbraw/zinc/89/31/74/304893174.db2.gz ASDMACHCTPKFRG-LSDHHAIUSA-N 2 0 333.480 1.729 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423415953 304894908 /nfs/dbraw/zinc/89/49/08/304894908.db2.gz PRGHJRFWEAETHQ-HOTGVXAUSA-N 2 0 340.512 1.153 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423420890 304895351 /nfs/dbraw/zinc/89/53/51/304895351.db2.gz AMEVMTXDWNMQSK-CVEARBPZSA-N 2 0 345.491 1.825 20 0 EDADRP COCC1(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)CC[NH2+]CC1 ZINC000423848016 304912178 /nfs/dbraw/zinc/91/21/78/304912178.db2.gz QOUDJFLECIXZGV-UHFFFAOYSA-N 2 0 337.439 1.520 20 0 EDADRP CC[NH+]1CCN(c2cc(C3CC3)nc(N3CC[NH+](CC)CC3)n2)CC1 ZINC000427983988 305002906 /nfs/dbraw/zinc/00/29/06/305002906.db2.gz VWZHAOHPFVUYHQ-UHFFFAOYSA-N 2 0 344.507 1.638 20 0 EDADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609206 305058648 /nfs/dbraw/zinc/05/86/48/305058648.db2.gz HIIXDMYHLLMUKD-HZPDHXFCSA-N 2 0 346.475 1.417 20 0 EDADRP C[NH2+][C@@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430627088 305060042 /nfs/dbraw/zinc/06/00/42/305060042.db2.gz SLWMIHOTGCMIQK-VQIMIIECSA-N 2 0 344.503 1.449 20 0 EDADRP COc1cccc(CCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642913 305061095 /nfs/dbraw/zinc/06/10/95/305061095.db2.gz PZGQNYZCIFMJPG-SFHVURJKSA-N 2 0 345.487 1.772 20 0 EDADRP Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742237 305063733 /nfs/dbraw/zinc/06/37/33/305063733.db2.gz KYJNZQYTQPOTBG-KBPBESRZSA-N 2 0 348.495 1.504 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000430920897 305068077 /nfs/dbraw/zinc/06/80/77/305068077.db2.gz QWTISFSVEAJOCI-HNNXBMFYSA-N 2 0 330.476 1.225 20 0 EDADRP CC[NH+]1CCC(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000432852369 305096209 /nfs/dbraw/zinc/09/62/09/305096209.db2.gz MRCQQSWXBPDRRK-UHFFFAOYSA-N 2 0 325.478 1.511 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCn2c3ccccc3[nH]c2=O)CC1 ZINC000433119249 305100920 /nfs/dbraw/zinc/10/09/20/305100920.db2.gz UNCYLCVOEJQPAI-UHFFFAOYSA-N 2 0 345.447 1.061 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000433122197 305101127 /nfs/dbraw/zinc/10/11/27/305101127.db2.gz UWADKCHJJLXMJW-GOSISDBHSA-N 2 0 333.476 1.490 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCn3c4ccccc4nc32)CC1 ZINC000433147654 305101721 /nfs/dbraw/zinc/10/17/21/305101721.db2.gz ZGBIHPOSFIPAON-UHFFFAOYSA-N 2 0 327.432 1.586 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](c3ccsc3)C2)CC1 ZINC000433160623 305102063 /nfs/dbraw/zinc/10/20/63/305102063.db2.gz HJFRGJKXXBXPSH-MRXNPFEDSA-N 2 0 337.489 1.851 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C ZINC000434670619 305126939 /nfs/dbraw/zinc/12/69/39/305126939.db2.gz DAVGENBAWMFMOE-QZTJIDSGSA-N 2 0 344.503 1.798 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[C@H]2CSCC[NH2+]2)Cc2ccccc2C1 ZINC000434876415 305132006 /nfs/dbraw/zinc/13/20/06/305132006.db2.gz JSVXEKKTAVHHPL-INIZCTEOSA-N 2 0 333.501 1.297 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C[C@@H]12 ZINC000435385757 305139507 /nfs/dbraw/zinc/13/95/07/305139507.db2.gz UAHJQTQBGJSPMJ-CGTJXYLNSA-N 2 0 343.471 1.857 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000436139752 305152935 /nfs/dbraw/zinc/15/29/35/305152935.db2.gz FOWFBHAOEWKICM-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000440512375 305208752 /nfs/dbraw/zinc/20/87/52/305208752.db2.gz KHYDQROXMRIBRV-UYAOXDASSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000442144581 305226054 /nfs/dbraw/zinc/22/60/54/305226054.db2.gz IGPIPDKLUJEOMP-PBHICJAKSA-N 2 0 346.475 1.328 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C[C@@H](C)C2)C1 ZINC000443639782 305240322 /nfs/dbraw/zinc/24/03/22/305240322.db2.gz LOVCLITXJREDGM-KZNAEPCWSA-N 2 0 339.524 1.827 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC000446613541 305267944 /nfs/dbraw/zinc/26/79/44/305267944.db2.gz GUELQNFFVSXSSY-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449097266 305306336 /nfs/dbraw/zinc/30/63/36/305306336.db2.gz CRFNRXJITHKPGD-QQFBHYJXSA-N 2 0 325.497 1.900 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCCC1 ZINC000449314052 305311117 /nfs/dbraw/zinc/31/11/17/305311117.db2.gz YKHODRLBKNDFGZ-DJIMGWMZSA-N 2 0 331.460 1.804 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000449317768 305311364 /nfs/dbraw/zinc/31/13/64/305311364.db2.gz BWKPCWLXBPOMPU-YKTARERQSA-N 2 0 345.487 1.768 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1CCC[NH+]1CCCO)[N@H+](C)Cc1ccccc1 ZINC000452365117 305393229 /nfs/dbraw/zinc/39/32/29/305393229.db2.gz NIMLJQXFNKUUGA-RTBURBONSA-N 2 0 347.503 1.860 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CCCC1 ZINC000490017681 305567768 /nfs/dbraw/zinc/56/77/68/305567768.db2.gz ZLKFSJJBDPCJBA-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892763 447352276 /nfs/dbraw/zinc/35/22/76/447352276.db2.gz ACAWTAMHXAIVEK-RBUKOAKNSA-N 2 0 348.491 1.609 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000518753868 305763507 /nfs/dbraw/zinc/76/35/07/305763507.db2.gz QPLNSGLDOYHMKS-CYBMUJFWSA-N 2 0 345.447 1.053 20 0 EDADRP Cc1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)c(OCC[NH+](C)C)c1 ZINC000528680446 305883814 /nfs/dbraw/zinc/88/38/14/305883814.db2.gz OTUHRZMBGGYBDO-AWEZNQCLSA-N 2 0 336.436 1.045 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000532119824 305974117 /nfs/dbraw/zinc/97/41/17/305974117.db2.gz DYMYUQQYESQBMR-UHFFFAOYSA-N 2 0 333.480 1.402 20 0 EDADRP CN(C)C(=O)C(C)(C)[NH2+]CCCCC[NH2+]C(C)(C)C(=O)N(C)C ZINC000533523160 306000105 /nfs/dbraw/zinc/00/01/05/306000105.db2.gz PZHLPGIGQVBMIO-UHFFFAOYSA-N 2 0 328.501 1.070 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCCC(C)(C)C1 ZINC000548785128 306138029 /nfs/dbraw/zinc/13/80/29/306138029.db2.gz BNGBGYDJPOIYTB-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCC12CCOCC2 ZINC000548951792 306142678 /nfs/dbraw/zinc/14/26/78/306142678.db2.gz SXZQEUOGCFYFFJ-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000551412685 306158001 /nfs/dbraw/zinc/15/80/01/306158001.db2.gz APHJDSNBJADFDD-RBUKOAKNSA-N 2 0 347.503 1.718 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000414945771 447367740 /nfs/dbraw/zinc/36/77/40/447367740.db2.gz SCRVZTKHAMUDBP-BLLLJJGKSA-N 2 0 342.443 1.012 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000556749380 306215385 /nfs/dbraw/zinc/21/53/85/306215385.db2.gz PMYRXJZPWAEZIT-KRWDZBQOSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000557135567 306224639 /nfs/dbraw/zinc/22/46/39/306224639.db2.gz JJOITGSUYVWHBW-FCLJQHQZSA-N 2 0 338.496 1.268 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000557133930 306224714 /nfs/dbraw/zinc/22/47/14/306224714.db2.gz HIFHMJJJGDARMS-ARFHVFGLSA-N 2 0 326.485 1.160 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H]1CCn2ccnc2C1)CCC(F)(F)F ZINC000426010114 447377663 /nfs/dbraw/zinc/37/76/63/447377663.db2.gz JNBNBZJVKQWNPG-LBPRGKRZSA-N 2 0 347.385 1.771 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CCC[NH+](C)[C@H]1C ZINC000426210184 447399230 /nfs/dbraw/zinc/39/92/30/447399230.db2.gz LBVGRJZKHNOLLO-VYDXJSESSA-N 2 0 338.496 1.364 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[NH+]2CCC1CC2 ZINC000378148316 447403885 /nfs/dbraw/zinc/40/38/85/447403885.db2.gz HMCUCIBWZBKZFY-KRWDZBQOSA-N 2 0 335.492 1.480 20 0 EDADRP CN1CCN(C(=O)/C=C/c2c(Cl)nc3sccn23)[C@H](C[NH3+])C1 ZINC000493835993 447406866 /nfs/dbraw/zinc/40/68/66/447406866.db2.gz LBOPZJQEYSGJJQ-VMZHVLLKSA-N 2 0 339.852 1.164 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415424287 447424684 /nfs/dbraw/zinc/42/46/84/447424684.db2.gz HUAPHJNPCKGBPD-MRXNPFEDSA-N 2 0 334.464 1.219 20 0 EDADRP CC(C)COC[C@@H](O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378424419 447426631 /nfs/dbraw/zinc/42/66/31/447426631.db2.gz DWFGQCCSCYITQB-MSOLQXFVSA-N 2 0 327.513 1.120 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390198 447433406 /nfs/dbraw/zinc/43/34/06/447433406.db2.gz IFDMCTCORLGCCM-QZTJIDSGSA-N 2 0 334.508 1.242 20 0 EDADRP C[C@H](Oc1cccc(F)c1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212332 441177739 /nfs/dbraw/zinc/17/77/39/441177739.db2.gz GHXUVTMKUKBWHA-AWEZNQCLSA-N 2 0 325.428 1.545 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000081231021 441241558 /nfs/dbraw/zinc/24/15/58/441241558.db2.gz RWRZSZUKLMTFKD-UHFFFAOYSA-N 2 0 333.480 1.585 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000072816750 441262190 /nfs/dbraw/zinc/26/21/90/441262190.db2.gz KWWAAMMDDKKABL-UHFFFAOYSA-N 2 0 330.476 1.896 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000048773303 441331455 /nfs/dbraw/zinc/33/14/55/441331455.db2.gz GNLHHFKMBLODJB-UHFFFAOYSA-N 2 0 346.475 1.676 20 0 EDADRP CN(C)c1nc(NC2CCN(CC[NH+](C)C)CC2)nc2ccccc21 ZINC000450251515 447439252 /nfs/dbraw/zinc/43/92/52/447439252.db2.gz VBCNSKOKCHYXAI-UHFFFAOYSA-N 2 0 342.491 2.134 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000106382989 441336403 /nfs/dbraw/zinc/33/64/03/441336403.db2.gz SMJNXMJMUWDVSN-ZHALLVOQSA-N 2 0 339.524 1.264 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000106516251 441348238 /nfs/dbraw/zinc/34/82/38/441348238.db2.gz KURUEURLNKOYFT-AEFFLSMTSA-N 2 0 347.507 1.224 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000415438088 447439797 /nfs/dbraw/zinc/43/97/97/447439797.db2.gz LNYFPIATNAUXJT-ZFWWWQNUSA-N 2 0 348.447 1.110 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000107387341 441414360 /nfs/dbraw/zinc/41/43/60/441414360.db2.gz VKYRYSRBBGWWJX-UHFFFAOYSA-N 2 0 333.480 1.639 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107844923 441432297 /nfs/dbraw/zinc/43/22/97/441432297.db2.gz FOHCTZCVMUFCMA-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC1CC1 ZINC000052891099 441484230 /nfs/dbraw/zinc/48/42/30/441484230.db2.gz HVLKJCUSYLWOIP-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC000075007868 441485059 /nfs/dbraw/zinc/48/50/59/441485059.db2.gz CRLVVJPJTPBCBC-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000042056643 441700720 /nfs/dbraw/zinc/70/07/20/441700720.db2.gz NLRHMBCLODPSAD-IAGOWNOFSA-N 2 0 344.459 1.430 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000137104913 441747378 /nfs/dbraw/zinc/74/73/78/441747378.db2.gz CLPGKEKTZHRBPY-DLBZAZTESA-N 2 0 327.513 1.872 20 0 EDADRP CN(c1ccccc1C[NH+]1CCC(C(N)=O)CC1)C1CC[NH+](C)CC1 ZINC000158615151 441749829 /nfs/dbraw/zinc/74/98/29/441749829.db2.gz ZJLSBGQMCAMZAR-UHFFFAOYSA-N 2 0 344.503 1.914 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)ccn1 ZINC000136863374 441728977 /nfs/dbraw/zinc/72/89/77/441728977.db2.gz CIPWDVRLLMCTQV-MRXNPFEDSA-N 2 0 332.448 1.332 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077574885 441808338 /nfs/dbraw/zinc/80/83/38/441808338.db2.gz YLQDFHWUTAKGMN-LSDHHAIUSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093135323 441859000 /nfs/dbraw/zinc/85/90/00/441859000.db2.gz QHVPDJLBAAEDIC-HNNXBMFYSA-N 2 0 333.480 1.937 20 0 EDADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173952904 441868624 /nfs/dbraw/zinc/86/86/24/441868624.db2.gz KWXPWEIXOJUHNM-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000124480425 441930240 /nfs/dbraw/zinc/93/02/40/441930240.db2.gz IRIOGGCJEUEGBE-OAHLLOKOSA-N 2 0 332.448 1.145 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718525 441956922 /nfs/dbraw/zinc/95/69/22/441956922.db2.gz VDOJHTBMFJLROI-KZNAEPCWSA-N 2 0 338.540 1.449 20 0 EDADRP CC[C@H](C(=O)NCCN1CCc2cc(OC)c(OC)cc2C1)[NH+](C)C ZINC000151462226 442065385 /nfs/dbraw/zinc/06/53/85/442065385.db2.gz CJWBVGHKGDKOPP-MRXNPFEDSA-N 2 0 349.475 1.518 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120485503 442079883 /nfs/dbraw/zinc/07/98/83/442079883.db2.gz BIFQRCKWQUYKCN-OAGGEKHMSA-N 2 0 328.501 1.515 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000162619399 442109683 /nfs/dbraw/zinc/10/96/83/442109683.db2.gz MIROUWAUGKDIHV-JKSUJKDBSA-N 2 0 327.538 1.908 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+](C)C ZINC000151811158 442123852 /nfs/dbraw/zinc/12/38/52/442123852.db2.gz WIMMRLDSNAXMPV-FGTMMUONSA-N 2 0 338.540 1.590 20 0 EDADRP C[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)CN1CC[NH+](C)CC1 ZINC000121082636 442175277 /nfs/dbraw/zinc/17/52/77/442175277.db2.gz MYMUXGYCPKFMHH-GOSISDBHSA-N 2 0 345.535 1.519 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176207549 442191072 /nfs/dbraw/zinc/19/10/72/442191072.db2.gz BBJCZSXBVJJOAA-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cccnc1N(C)C ZINC000176397158 442217902 /nfs/dbraw/zinc/21/79/02/442217902.db2.gz NZFXBVXBIPGRSF-CVEARBPZSA-N 2 0 331.464 1.916 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167703299 442222190 /nfs/dbraw/zinc/22/21/90/442222190.db2.gz OTXVZMJJQOFVPD-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167699490 442222292 /nfs/dbraw/zinc/22/22/92/442222292.db2.gz NISOLYYGLHGTJN-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP C[C@@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000169107230 442225734 /nfs/dbraw/zinc/22/57/34/442225734.db2.gz FKRLEFDUNWSMIA-HOTGVXAUSA-N 2 0 337.508 1.629 20 0 EDADRP CCC[NH2+]CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000154183871 442325397 /nfs/dbraw/zinc/32/53/97/442325397.db2.gz PDOMPWAHQOQQFU-UHFFFAOYSA-N 2 0 332.492 1.705 20 0 EDADRP CCNC(=O)CC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177481844 442348053 /nfs/dbraw/zinc/34/80/53/442348053.db2.gz ATVIFJZCPRFLCG-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236098 442318054 /nfs/dbraw/zinc/31/80/54/442318054.db2.gz MTPWRQUZPIZNFN-HOTGVXAUSA-N 2 0 325.497 1.580 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171902953 442388625 /nfs/dbraw/zinc/38/86/25/442388625.db2.gz OTRFEXQAYDSTGC-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177828147 442388643 /nfs/dbraw/zinc/38/86/43/442388643.db2.gz SXUDLXMJZRODCQ-QGZVFWFLSA-N 2 0 340.475 1.734 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1CC(C)C ZINC000132771725 442399532 /nfs/dbraw/zinc/39/95/32/442399532.db2.gz FDSBCLXZUMIMDM-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP COC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000178701417 442458249 /nfs/dbraw/zinc/45/82/49/442458249.db2.gz YVMAHYOGESNXRY-ROUUACIJSA-N 2 0 328.497 1.720 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000178826162 442495559 /nfs/dbraw/zinc/49/55/59/442495559.db2.gz DPOKXDSFRSCKFT-QFBILLFUSA-N 2 0 345.487 1.863 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000178719956 442462927 /nfs/dbraw/zinc/46/29/27/442462927.db2.gz UGAJOVYHMXUOGH-OAHLLOKOSA-N 2 0 335.448 1.251 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000186324901 442512728 /nfs/dbraw/zinc/51/27/28/442512728.db2.gz BTAGPICGUJSEDQ-IRXDYDNUSA-N 2 0 326.481 1.255 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC000192756037 442683965 /nfs/dbraw/zinc/68/39/65/442683965.db2.gz VTHQINMWIVNCOT-ZWKOTPCHSA-N 2 0 325.497 1.282 20 0 EDADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187839995 442694568 /nfs/dbraw/zinc/69/45/68/442694568.db2.gz ZTGATISOFODOEE-YOEHRIQHSA-N 2 0 343.537 1.511 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192890186 442695565 /nfs/dbraw/zinc/69/55/65/442695565.db2.gz SKCURUWAOFAVQM-LJQANCHMSA-N 2 0 349.475 1.690 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@@H](C)C2)C1 ZINC000187924156 442698260 /nfs/dbraw/zinc/69/82/60/442698260.db2.gz RPNQVJLCELAVSB-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000193046181 442707896 /nfs/dbraw/zinc/70/78/96/442707896.db2.gz KFCOXKVOIOKJAQ-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000188170398 442719828 /nfs/dbraw/zinc/71/98/28/442719828.db2.gz KDLHFGFJUVHVHZ-FQEVSTJZSA-N 2 0 345.487 1.424 20 0 EDADRP CCCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000188105175 442712335 /nfs/dbraw/zinc/71/23/35/442712335.db2.gz QLBDCCGFLGIKCB-RBUKOAKNSA-N 2 0 345.487 1.878 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000246576396 442794120 /nfs/dbraw/zinc/79/41/20/442794120.db2.gz RWYKPIDTHRFHHI-RYRKJORJSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000267948616 442795668 /nfs/dbraw/zinc/79/56/68/442795668.db2.gz FUNPWEMPJKICBA-SFHVURJKSA-N 2 0 332.448 1.279 20 0 EDADRP C[C@H](CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000182651470 442800990 /nfs/dbraw/zinc/80/09/90/442800990.db2.gz NLDMXMZLYKBLGN-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000246384327 442777347 /nfs/dbraw/zinc/77/73/47/442777347.db2.gz RVSAMIBAQGLSKS-XHSDSOJGSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2[C@@H](C)CCC[C@@H]2C)C1 ZINC000182710340 442810940 /nfs/dbraw/zinc/81/09/40/442810940.db2.gz UUIOEEZIUXHCJC-YESZJQIVSA-N 2 0 339.524 1.874 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194090043 442844765 /nfs/dbraw/zinc/84/47/65/442844765.db2.gz BWQQWNZUMSRLOZ-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000247657091 442864009 /nfs/dbraw/zinc/86/40/09/442864009.db2.gz YUQWOOJGKYSXTM-GVDBMIGSSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000194263735 442867845 /nfs/dbraw/zinc/86/78/45/442867845.db2.gz VIHPJQGKGHEJAB-UHFFFAOYSA-N 2 0 331.464 1.439 20 0 EDADRP CCN(C(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000182952453 442853772 /nfs/dbraw/zinc/85/37/72/442853772.db2.gz FZQRLNQRRDVWBK-GOSISDBHSA-N 2 0 346.519 1.997 20 0 EDADRP CCN(C(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000182952473 442853825 /nfs/dbraw/zinc/85/38/25/442853825.db2.gz FZQRLNQRRDVWBK-SFHVURJKSA-N 2 0 346.519 1.997 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC000248599561 442905181 /nfs/dbraw/zinc/90/51/81/442905181.db2.gz IVEQLNBKCQMTPS-TWMKSMIVSA-N 2 0 340.512 1.203 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OCC[NH+]3CCCCC3)cc2)C1 ZINC000189296379 442915616 /nfs/dbraw/zinc/91/56/16/442915616.db2.gz MCZKMPFWEXLWFC-ZWKOTPCHSA-N 2 0 347.459 1.867 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194720834 442942247 /nfs/dbraw/zinc/94/22/47/442942247.db2.gz CJLODIZKUYLFGB-UHFFFAOYSA-N 2 0 337.508 1.866 20 0 EDADRP CN(CCC[NH2+]Cc1cn(C)nc1-c1ccncc1)CC[NH+](C)C ZINC000623087879 450397999 /nfs/dbraw/zinc/39/79/99/450397999.db2.gz MRXHZABXWAASBU-UHFFFAOYSA-N 2 0 330.480 1.455 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000268376489 442967497 /nfs/dbraw/zinc/96/74/97/442967497.db2.gz SYMRMLSDICJVHI-QFBILLFUSA-N 2 0 344.503 1.927 20 0 EDADRP CC(C)[NH2+]C1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000184600520 443047291 /nfs/dbraw/zinc/04/72/91/443047291.db2.gz LYLWGSGMFWWMEI-IBGZPJMESA-N 2 0 346.519 1.868 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000296603671 318711711 /nfs/dbraw/zinc/71/17/11/318711711.db2.gz YPDBRIUZKHJOFC-QGZVFWFLSA-N 2 0 325.416 1.438 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(C(N)=O)CCCCC1)c1ccccc1 ZINC000184988184 443112396 /nfs/dbraw/zinc/11/23/96/443112396.db2.gz FPWRABRNIIGXMU-INIZCTEOSA-N 2 0 346.475 1.183 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185046656 443124362 /nfs/dbraw/zinc/12/43/62/443124362.db2.gz JOQMIODHYXBZLO-UHFFFAOYSA-N 2 0 341.544 1.434 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@H]([NH3+])Cc1ccccc1)Cc1ccccc1 ZINC000237198716 443163471 /nfs/dbraw/zinc/16/34/71/443163471.db2.gz RUCDMWCWHBHJIQ-RBUKOAKNSA-N 2 0 325.456 1.846 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000261952744 443175401 /nfs/dbraw/zinc/17/54/01/443175401.db2.gz HVKNXOYHSIQUBW-GXTWGEPZSA-N 2 0 326.238 1.573 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc2)CC1 ZINC000236895199 443151616 /nfs/dbraw/zinc/15/16/16/443151616.db2.gz WSVJOBVSEUWNLT-LJQANCHMSA-N 2 0 332.492 1.932 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000268936148 443152653 /nfs/dbraw/zinc/15/26/53/443152653.db2.gz YQXQGWDWPZFIIZ-AYOQOUSVSA-N 2 0 328.460 1.954 20 0 EDADRP CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185604457 443225303 /nfs/dbraw/zinc/22/53/03/443225303.db2.gz AOGKBGBKAWAILI-GVDBMIGSSA-N 2 0 325.497 1.580 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000269125885 443205606 /nfs/dbraw/zinc/20/56/06/443205606.db2.gz DYHLVVFJSHKRRG-UHFFFAOYSA-N 2 0 332.492 1.554 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262674858 443207219 /nfs/dbraw/zinc/20/72/19/443207219.db2.gz RHDPIPFFXILAMM-ZACQAIPSSA-N 2 0 337.508 1.629 20 0 EDADRP C[N@@H+]1CC[C@H](c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)C1 ZINC000350090046 319041570 /nfs/dbraw/zinc/04/15/70/319041570.db2.gz ZJGZZJHUWBVGCC-AWEZNQCLSA-N 2 0 327.432 1.908 20 0 EDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411785497 319203746 /nfs/dbraw/zinc/20/37/46/319203746.db2.gz CKRRDBUOYWFYSZ-RRQGHBQHSA-N 2 0 325.497 1.625 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000413935574 319304876 /nfs/dbraw/zinc/30/48/76/319304876.db2.gz DTMQFPDLGCGERE-ZFWWWQNUSA-N 2 0 335.448 1.772 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(C)C ZINC000414190599 319318434 /nfs/dbraw/zinc/31/84/34/319318434.db2.gz KQFJYRQQIZUNAR-SJORKVTESA-N 2 0 339.524 1.576 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC[NH2+]CC3)c2)C1 ZINC000415084728 319346286 /nfs/dbraw/zinc/34/62/86/319346286.db2.gz HMPXGCCEQAPOIB-QGZVFWFLSA-N 3 0 330.476 1.226 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000415176944 319347366 /nfs/dbraw/zinc/34/73/66/319347366.db2.gz GUKSODNVDBQIBL-INIZCTEOSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCCC[NH2+]C3)ccc21 ZINC000415871484 319380124 /nfs/dbraw/zinc/38/01/24/319380124.db2.gz QJNDPCRRFZVVOY-WBVHZDCISA-N 2 0 344.459 1.432 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415892323 319382145 /nfs/dbraw/zinc/38/21/45/319382145.db2.gz IFJQMDPPYNSFMA-KRWDZBQOSA-N 2 0 332.448 1.301 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956322 319384813 /nfs/dbraw/zinc/38/48/13/319384813.db2.gz NSDKPDDOFLWPBR-UHFFFAOYSA-N 2 0 329.379 1.522 20 0 EDADRP CCC[C@H]1CN(C(=O)Nc2ncccc2C[NH3+])CC[N@@H+]1CCOC ZINC000415985762 319387578 /nfs/dbraw/zinc/38/75/78/319387578.db2.gz GGITVPRREXGNLN-HNNXBMFYSA-N 2 0 335.452 1.505 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000269286170 443267640 /nfs/dbraw/zinc/26/76/40/443267640.db2.gz MGGUYMUUAJHGDH-UHFFFAOYSA-N 2 0 329.238 1.701 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000416850270 319466208 /nfs/dbraw/zinc/46/62/08/319466208.db2.gz ZLNLOQNQGOSMCC-MSOLQXFVSA-N 2 0 348.491 1.829 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000264544031 443320190 /nfs/dbraw/zinc/32/01/90/443320190.db2.gz OEGMBBYFDZJYFH-OAHLLOKOSA-N 2 0 335.448 1.078 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000416953186 319484052 /nfs/dbraw/zinc/48/40/52/319484052.db2.gz TXBODGNUWGHKAP-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)C34CCC[NH+]3CCC4)ccn2)CC1 ZINC000278506020 443349814 /nfs/dbraw/zinc/34/98/14/443349814.db2.gz ABUDTLVGOOABKR-UHFFFAOYSA-N 2 0 343.475 1.078 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278577725 443366175 /nfs/dbraw/zinc/36/61/75/443366175.db2.gz CUFKQSLIBQWXNS-UHFFFAOYSA-N 2 0 327.428 1.747 20 0 EDADRP C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000422552713 319714357 /nfs/dbraw/zinc/71/43/57/319714357.db2.gz IFXVGXFOBCNPLP-IJEWVQPXSA-N 2 0 339.505 1.742 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950943 319740861 /nfs/dbraw/zinc/74/08/61/319740861.db2.gz XFGTXSFBCLAKAI-NOLJZWGESA-N 2 0 325.478 1.715 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423341625 319765540 /nfs/dbraw/zinc/76/55/40/319765540.db2.gz WRECASRQAOOPNP-AWEZNQCLSA-N 2 0 339.505 1.991 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000423742640 319809194 /nfs/dbraw/zinc/80/91/94/319809194.db2.gz JECSYECDEZGPKM-WFASDCNBSA-N 2 0 325.403 1.982 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000427269498 319894367 /nfs/dbraw/zinc/89/43/67/319894367.db2.gz KNPVUODQQJKAQT-MRXNPFEDSA-N 2 0 345.491 1.229 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000439004349 320038181 /nfs/dbraw/zinc/03/81/81/320038181.db2.gz PXZKKEXJIUJXPO-LSDHHAIUSA-N 2 0 348.491 1.940 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441041590 320086361 /nfs/dbraw/zinc/08/63/61/320086361.db2.gz SSRIRELVPQEKGF-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[N@H+](C)C3CC3)ccc21 ZINC000453646389 320266728 /nfs/dbraw/zinc/26/67/28/320266728.db2.gz QISUAORLOJJRAR-KRWDZBQOSA-N 2 0 344.459 1.384 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000479295235 320355123 /nfs/dbraw/zinc/35/51/23/320355123.db2.gz KPIMINGKLWANIO-GGPKGHCWSA-N 2 0 343.471 1.224 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1CC[NH+](C)CC1)CCC(F)(F)F ZINC000494951333 320397634 /nfs/dbraw/zinc/39/76/34/320397634.db2.gz BOGIFFPHSYCDPX-UHFFFAOYSA-N 2 0 338.418 1.902 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000516863655 320442049 /nfs/dbraw/zinc/44/20/49/320442049.db2.gz BWUXTMNWQNHZNZ-MRXNPFEDSA-N 2 0 348.491 1.525 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[NH+](C[C@@H](C)O)CC3)c2cc1OC ZINC000298538267 443794650 /nfs/dbraw/zinc/79/46/50/443794650.db2.gz CXQOGWXJHGGTDP-CYBMUJFWSA-N 2 0 331.416 1.755 20 0 EDADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000298351241 443752409 /nfs/dbraw/zinc/75/24/09/443752409.db2.gz MTWTVUSDSMWTTB-ZIAGYGMSSA-N 2 0 334.464 1.046 20 0 EDADRP C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)[NH+](C)C)s1)[NH+](C)C ZINC000298608279 443815976 /nfs/dbraw/zinc/81/59/76/443815976.db2.gz IZDMNHUUJSYRPI-VXGBXAGGSA-N 2 0 340.493 1.108 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000529913239 320600930 /nfs/dbraw/zinc/60/09/30/320600930.db2.gz IRQPITCDIVLGDO-INIZCTEOSA-N 2 0 325.497 1.820 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000299029195 443932600 /nfs/dbraw/zinc/93/26/00/443932600.db2.gz XYQWMSVPOFUFDJ-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000546042432 320808108 /nfs/dbraw/zinc/80/81/08/320808108.db2.gz OAWQJDNWMNZGHV-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299269989 444002402 /nfs/dbraw/zinc/00/24/02/444002402.db2.gz JAHSVPAXBHTCKL-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277305737 443958604 /nfs/dbraw/zinc/95/86/04/443958604.db2.gz ULALJJSNMFPNQV-ROUUACIJSA-N 2 0 336.476 1.989 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)ccn2)CC1 ZINC000557535821 321005286 /nfs/dbraw/zinc/00/52/86/321005286.db2.gz KDZOECWBXYZSAN-UHFFFAOYSA-N 2 0 345.491 1.182 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000561178706 321035224 /nfs/dbraw/zinc/03/52/24/321035224.db2.gz SROSYIJCKNRZNU-QFBILLFUSA-N 2 0 343.475 1.131 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000562915504 321081269 /nfs/dbraw/zinc/08/12/69/321081269.db2.gz QFFLUPGKPHMIHB-GJZGRUSLSA-N 2 0 334.468 1.535 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)CC1 ZINC000563073813 321093725 /nfs/dbraw/zinc/09/37/25/321093725.db2.gz PTIGLEBNFFXETH-SJLPKXTDSA-N 2 0 336.524 1.251 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H](C)C3CC[NH2+]CC3)C2)CC1 ZINC000563073812 321093746 /nfs/dbraw/zinc/09/37/46/321093746.db2.gz PTIGLEBNFFXETH-FUHWJXTLSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563093295 321094765 /nfs/dbraw/zinc/09/47/65/321094765.db2.gz ZUYQUBSSUITHFU-RHSMWYFYSA-N 2 0 333.480 1.610 20 0 EDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000564824070 321150168 /nfs/dbraw/zinc/15/01/68/321150168.db2.gz SUSTWGKRGNYOJX-IRXDYDNUSA-N 2 0 345.491 1.370 20 0 EDADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000565047709 321166832 /nfs/dbraw/zinc/16/68/32/321166832.db2.gz WAWJILFFOGHKNF-HNNXBMFYSA-N 2 0 342.443 1.937 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000565648427 321194654 /nfs/dbraw/zinc/19/46/54/321194654.db2.gz PRYUTNHHWUGVBV-FUHWJXTLSA-N 2 0 331.460 1.868 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000565999556 321209556 /nfs/dbraw/zinc/20/95/56/321209556.db2.gz IPGKWYMICAQFBX-MRXNPFEDSA-N 2 0 345.491 1.987 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000566211805 321222513 /nfs/dbraw/zinc/22/25/13/321222513.db2.gz KTHYOYSZLCNDLS-FCWGVCEXSA-N 2 0 342.487 1.926 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000567983114 321271200 /nfs/dbraw/zinc/27/12/00/321271200.db2.gz OXYSGDRYXDWELX-SFHVURJKSA-N 2 0 338.540 1.818 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000569474911 321327047 /nfs/dbraw/zinc/32/70/47/321327047.db2.gz VXEDQXBONCTZLP-CQSZACIVSA-N 2 0 332.448 1.593 20 0 EDADRP O=C(Nc1ccccc1-n1ccnc1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000570804791 321358446 /nfs/dbraw/zinc/35/84/46/321358446.db2.gz BLPFDQRZIRXONX-CYBMUJFWSA-N 2 0 337.387 1.468 20 0 EDADRP CC[C@@H](C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[NH+](C)C ZINC000571264466 321381091 /nfs/dbraw/zinc/38/10/91/321381091.db2.gz ZNZJHUVYAKDHDA-ROUUACIJSA-N 2 0 332.492 1.432 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571675033 321396901 /nfs/dbraw/zinc/39/69/01/321396901.db2.gz AJUKKMNSOFXHFK-UONOGXRCSA-N 2 0 341.839 1.339 20 0 EDADRP C[C@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000285825088 444120348 /nfs/dbraw/zinc/12/03/48/444120348.db2.gz UJBQBJLPGTYHFM-WMZOPIPTSA-N 2 0 331.460 1.488 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H](O)c1cc(F)ccc1F)CC[NH+](C)C ZINC000289398606 444130481 /nfs/dbraw/zinc/13/04/81/444130481.db2.gz KUELRTQSOASRBI-QGZVFWFLSA-N 2 0 329.435 1.814 20 0 EDADRP C[C@H](NC(=O)CC[NH2+]C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000574338973 321480074 /nfs/dbraw/zinc/48/00/74/321480074.db2.gz IOIUNBSSYOXPCM-AWEZNQCLSA-N 2 0 348.466 1.897 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290148966 444248370 /nfs/dbraw/zinc/24/83/70/444248370.db2.gz VOCXSZAVHNIFGZ-OAHLLOKOSA-N 2 0 348.491 1.923 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290408396 444276821 /nfs/dbraw/zinc/27/68/21/444276821.db2.gz UDBSOCVETGWEGC-CQSZACIVSA-N 2 0 334.464 1.532 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000577948163 321697788 /nfs/dbraw/zinc/69/77/88/321697788.db2.gz PRWBAEYJTVHRHU-PKOBYXMFSA-N 2 0 349.519 1.577 20 0 EDADRP CN1CCN(C)[C@H](C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000309947428 444290410 /nfs/dbraw/zinc/29/04/10/444290410.db2.gz POEKYPDBMPDNLG-OWCLPIDISA-N 2 0 340.512 1.658 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000578445670 321775985 /nfs/dbraw/zinc/77/59/85/321775985.db2.gz NHHATWGRKJRETM-RYRKJORJSA-N 2 0 341.459 1.045 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccccc1 ZINC000337801259 444414026 /nfs/dbraw/zinc/41/40/26/444414026.db2.gz HSBSWVFLHXHRQR-SQNIBIBYSA-N 2 0 349.475 1.319 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000337811691 444418479 /nfs/dbraw/zinc/41/84/79/444418479.db2.gz OIZPSVWUTNJLHN-GDBMZVCRSA-N 2 0 328.526 1.455 20 0 EDADRP CS(=O)(=O)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000298130456 444424843 /nfs/dbraw/zinc/42/48/43/444424843.db2.gz PYJIXIAJUNTMRI-UHFFFAOYSA-N 2 0 337.489 1.997 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000579815047 321973387 /nfs/dbraw/zinc/97/33/87/321973387.db2.gz YCVGUWDUHSFZDX-GOSISDBHSA-N 2 0 344.503 1.902 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580075524 322006522 /nfs/dbraw/zinc/00/65/22/322006522.db2.gz HAWIFQLXWRPRRM-FUMNGEBKSA-N 2 0 347.503 1.136 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@@H]21 ZINC000580341003 322039926 /nfs/dbraw/zinc/03/99/26/322039926.db2.gz JGJHSVKYNALCJA-ILXRZTDVSA-N 2 0 334.464 1.313 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000580941582 322114609 /nfs/dbraw/zinc/11/46/09/322114609.db2.gz VGKIPMFDRYXGIU-IBGZPJMESA-N 2 0 346.475 1.522 20 0 EDADRP C[C@@H](C(=O)N1c2ccccc2C[C@H]1C)N1CCN(c2ncc[nH]2)CC1 ZINC000580960274 322117887 /nfs/dbraw/zinc/11/78/87/322117887.db2.gz JCBYSLOTOPPMBF-CABCVRRESA-N 2 0 339.443 1.898 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000581081994 322134269 /nfs/dbraw/zinc/13/42/69/322134269.db2.gz AXTWCFUPTMGWFS-WBVHZDCISA-N 2 0 346.475 1.039 20 0 EDADRP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCCc3c1cnn3-c1ncccn1)CC2 ZINC000581108052 322135767 /nfs/dbraw/zinc/13/57/67/322135767.db2.gz XOGHCQSJKMXOTK-OCCSQVGLSA-N 2 0 335.415 1.910 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000581138519 322140803 /nfs/dbraw/zinc/14/08/03/322140803.db2.gz MZUNHUWSZUYMSS-ZWKOTPCHSA-N 2 0 331.460 1.546 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000581597136 322196611 /nfs/dbraw/zinc/19/66/11/322196611.db2.gz IRZJLWKWYPWTEZ-UHFFFAOYSA-N 2 0 344.459 1.166 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCC3([NH3+])CCC3)CCCC2)CC1 ZINC000581656468 322204051 /nfs/dbraw/zinc/20/40/51/322204051.db2.gz FOMGWQGDRVMJKX-UHFFFAOYSA-N 2 0 338.496 1.591 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCC1)C(C)C ZINC000340772722 444505579 /nfs/dbraw/zinc/50/55/79/444505579.db2.gz JUWDIJHPOCRGDR-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000581878459 322227167 /nfs/dbraw/zinc/22/71/67/322227167.db2.gz GDTWVTVKLFFXAM-SOLBZPMBSA-N 2 0 331.460 1.787 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000340883377 444557539 /nfs/dbraw/zinc/55/75/39/444557539.db2.gz BGOOOLPCLZNHSN-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000340931635 444582440 /nfs/dbraw/zinc/58/24/40/444582440.db2.gz HMXJZOBILUPONV-QAPCUYQASA-N 2 0 330.476 1.827 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000338180755 444551637 /nfs/dbraw/zinc/55/16/37/444551637.db2.gz BUTLASCASPPZMR-ARFHVFGLSA-N 2 0 333.476 1.910 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@H]1C ZINC000340941647 444588032 /nfs/dbraw/zinc/58/80/32/444588032.db2.gz UHUBHHHHNYABMY-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[NH+]1CCCC1 ZINC000340985512 444616214 /nfs/dbraw/zinc/61/62/14/444616214.db2.gz BVQUMXXNXSVNKB-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000333430190 444667670 /nfs/dbraw/zinc/66/76/70/444667670.db2.gz UKSBAQIBJKYGNA-UOJCXKCYSA-N 2 0 336.480 1.149 20 0 EDADRP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1C[NH2+]CCCO1)CC2 ZINC000333866472 444705112 /nfs/dbraw/zinc/70/51/12/444705112.db2.gz TVPWVNSVFQKNRI-HVEKOLDVSA-N 2 0 329.444 1.787 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000333903723 444713905 /nfs/dbraw/zinc/71/39/05/444713905.db2.gz CBDUPRQAIGSTLF-FCGDIQPGSA-N 2 0 342.487 1.997 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333914642 444717251 /nfs/dbraw/zinc/71/72/51/444717251.db2.gz MKPXDYXBODJNHU-CMPFZWEDSA-N 2 0 332.492 1.630 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000333927642 444720842 /nfs/dbraw/zinc/72/08/42/444720842.db2.gz WOSQEPRBEDMGLT-BQJWPVKWSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333927644 444720912 /nfs/dbraw/zinc/72/09/12/444720912.db2.gz WOSQEPRBEDMGLT-ZHCJQAHYSA-N 2 0 338.496 1.125 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CCNC[C@H]1c1cccnc1 ZINC000333945786 444725614 /nfs/dbraw/zinc/72/56/14/444725614.db2.gz TZYCECMWEFZQQR-ZACQAIPSSA-N 2 0 329.448 1.364 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[NH+](C)C1CC1 ZINC000341124958 444686039 /nfs/dbraw/zinc/68/60/39/444686039.db2.gz LHNGQRKZSLLNMS-QGZVFWFLSA-N 3 0 339.528 1.138 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000341234514 444742556 /nfs/dbraw/zinc/74/25/56/444742556.db2.gz BNPKYWNKADIHKG-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000344120041 444792049 /nfs/dbraw/zinc/79/20/49/444792049.db2.gz CMPAEMMMQHJTSG-HOTGVXAUSA-N 2 0 335.448 1.017 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000342757584 444850997 /nfs/dbraw/zinc/85/09/97/444850997.db2.gz SXVXPLKQKTUHPL-ZWKOTPCHSA-N 2 0 333.476 1.812 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)NCCNc2cc[nH+]cc2)c1 ZINC000344186755 444827793 /nfs/dbraw/zinc/82/77/93/444827793.db2.gz LFLYHLPVEQQLFA-UHFFFAOYSA-N 2 0 343.431 1.678 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342711800 444828680 /nfs/dbraw/zinc/82/86/80/444828680.db2.gz REUBMUVTWAGHRM-XWTMOSNGSA-N 2 0 336.524 1.392 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)CNC(=O)[C@H]([NH3+])C(C)C)CC1 ZINC000336881309 444829174 /nfs/dbraw/zinc/82/91/74/444829174.db2.gz SPSYLVGXZDBGQK-QGZVFWFLSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000341903210 445062961 /nfs/dbraw/zinc/06/29/61/445062961.db2.gz TYAUUCCWBZDWBK-ILXRZTDVSA-N 2 0 336.480 1.559 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000339237913 445106557 /nfs/dbraw/zinc/10/65/57/445106557.db2.gz JVNBDLMGHXXHOX-QGZVFWFLSA-N 2 0 334.464 1.230 20 0 EDADRP Cc1cnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1C ZINC000343254442 445163262 /nfs/dbraw/zinc/16/32/62/445163262.db2.gz XQLIKSLZYTWAGS-UHFFFAOYSA-N 2 0 326.448 2.113 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000339754782 445166578 /nfs/dbraw/zinc/16/65/78/445166578.db2.gz SWHDNOXZEVIICJ-UHFFFAOYSA-N 2 0 347.463 1.108 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697608 445223838 /nfs/dbraw/zinc/22/38/38/445223838.db2.gz FHJGOCMWCNJCAI-RYQLBKOJSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000351768499 445314513 /nfs/dbraw/zinc/31/45/13/445314513.db2.gz WMTBYAAMQIEMKF-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000348205145 445315522 /nfs/dbraw/zinc/31/55/22/445315522.db2.gz IYSRJNYZYMZBKG-UHFFFAOYSA-N 2 0 340.512 1.349 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000354678853 445337348 /nfs/dbraw/zinc/33/73/48/445337348.db2.gz WMRSNIDELPCFMW-IRXDYDNUSA-N 2 0 346.475 1.184 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccn(C)n2)CC1 ZINC000354680718 445338307 /nfs/dbraw/zinc/33/83/07/445338307.db2.gz SYCJRZBNJGGSMI-UHFFFAOYSA-N 2 0 327.476 1.894 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000348644193 445343285 /nfs/dbraw/zinc/34/32/85/445343285.db2.gz MQFAUDUKAHFYJX-GOEBONIOSA-N 2 0 331.526 1.557 20 0 EDADRP C[C@H](O)CCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000354739019 445359009 /nfs/dbraw/zinc/35/90/09/445359009.db2.gz UUKITXFRKADECU-KRWDZBQOSA-N 2 0 335.492 1.910 20 0 EDADRP Cc1cc(N2CC[C@H]([NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000357077602 445411425 /nfs/dbraw/zinc/41/14/25/445411425.db2.gz KULWZDVOKSPIJB-CVEARBPZSA-N 2 0 331.464 1.155 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000348848025 445414152 /nfs/dbraw/zinc/41/41/52/445414152.db2.gz MAJBFTHWESJKIZ-UHFFFAOYSA-N 2 0 338.540 1.058 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000357103632 445430104 /nfs/dbraw/zinc/43/01/04/445430104.db2.gz KMADDXOFQQQOHM-CQSZACIVSA-N 2 0 338.427 1.635 20 0 EDADRP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000354959134 445436022 /nfs/dbraw/zinc/43/60/22/445436022.db2.gz NSUAKHGPRDGZPM-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000362553961 445436188 /nfs/dbraw/zinc/43/61/88/445436188.db2.gz RBFOFBCMXZSQDJ-HWOWSKLDSA-N 2 0 345.491 1.823 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000352041554 445455615 /nfs/dbraw/zinc/45/56/15/445455615.db2.gz ZBAOBGRPBPSVAW-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000355446461 445460829 /nfs/dbraw/zinc/46/08/29/445460829.db2.gz PZAPIFBZCNLECF-BZSNNMDCSA-N 2 0 338.540 1.638 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)CCOC1C[NH2+]C1)[NH+]1CCCC1 ZINC000349001661 445472034 /nfs/dbraw/zinc/47/20/34/445472034.db2.gz OJXZTAYTQIXZON-KRWDZBQOSA-N 2 0 347.459 1.327 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(CCOC)[C@H](C)C1 ZINC000359919613 445488334 /nfs/dbraw/zinc/48/83/34/445488334.db2.gz VPWPGDUTSBQKFM-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000359919145 445489139 /nfs/dbraw/zinc/48/91/39/445489139.db2.gz SUOOXTIEZXAFMT-BBWFWOEESA-N 2 0 342.528 1.593 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)C1C[NH2+]C1 ZINC000357246592 445505131 /nfs/dbraw/zinc/50/51/31/445505131.db2.gz YCWWPDQEFWUXQQ-CYBMUJFWSA-N 2 0 331.464 1.406 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802708 445556506 /nfs/dbraw/zinc/55/65/06/445556506.db2.gz VEMCCYRFPPTKFZ-HOCLYGCPSA-N 2 0 331.464 1.554 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357709950 445578397 /nfs/dbraw/zinc/57/83/97/445578397.db2.gz RZFRSZFJRVLQRK-ROUUACIJSA-N 2 0 337.508 1.822 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000360134065 445586922 /nfs/dbraw/zinc/58/69/22/445586922.db2.gz FKYNZEZKTFQWTJ-OWCLPIDISA-N 2 0 328.501 1.202 20 0 EDADRP CO[C@H](C[NH3+])C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000353451946 445607842 /nfs/dbraw/zinc/60/78/42/445607842.db2.gz QBEUTYIVGDXSJZ-MJGOQNOKSA-N 2 0 331.460 1.475 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000353464734 445614175 /nfs/dbraw/zinc/61/41/75/445614175.db2.gz WKIYPOYKPJFRCS-CRAIPNDOSA-N 2 0 346.475 1.834 20 0 EDADRP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000362932386 445614704 /nfs/dbraw/zinc/61/47/04/445614704.db2.gz WKIQJLWIHUDBSR-QGZVFWFLSA-N 2 0 349.475 1.658 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986397 445639438 /nfs/dbraw/zinc/63/94/38/445639438.db2.gz KLWVVPITKNAKSI-PBHICJAKSA-N 2 0 331.460 1.780 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349750669 445665060 /nfs/dbraw/zinc/66/50/60/445665060.db2.gz WZEQGGVFXHAAPR-SJORKVTESA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3cc(CO)nn3)CC2)C1 ZINC000353578469 445664288 /nfs/dbraw/zinc/66/42/88/445664288.db2.gz RUJGQXTVGHFVBT-QAPCUYQASA-N 2 0 335.496 1.793 20 0 EDADRP CCOC(=O)c1coc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000353628903 445682628 /nfs/dbraw/zinc/68/26/28/445682628.db2.gz URPNJNWOGPNPRM-CQSZACIVSA-N 2 0 338.448 1.981 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000349845582 445697161 /nfs/dbraw/zinc/69/71/61/445697161.db2.gz HQSCLJZWZRZFHZ-DLBZAZTESA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000356246284 445697196 /nfs/dbraw/zinc/69/71/96/445697196.db2.gz SNJCGKWUDXQSEL-XHSDSOJGSA-N 2 0 325.497 1.410 20 0 EDADRP COC1(C[C@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCC1 ZINC000353667307 445699720 /nfs/dbraw/zinc/69/97/20/445699720.db2.gz CHWPERITFPAOJA-INIZCTEOSA-N 2 0 325.497 1.916 20 0 EDADRP O=C(C[NH2+]Cc1ccc2c(c1)OCCO2)NCC[NH+]1CCCCCC1 ZINC000353669241 445700643 /nfs/dbraw/zinc/70/06/43/445700643.db2.gz HQSXHQNDKOEMKW-UHFFFAOYSA-N 2 0 347.459 1.540 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@@H]2CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000356306658 445727450 /nfs/dbraw/zinc/72/74/50/445727450.db2.gz VHFUTNALMZPAEY-BZUAXINKSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H](CC1CCOCC1)C[NH+]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000350006114 445747385 /nfs/dbraw/zinc/74/73/85/445747385.db2.gz GDCGUBOGCVMJRE-SJLPKXTDSA-N 2 0 337.508 1.678 20 0 EDADRP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)s1 ZINC000361482147 445781513 /nfs/dbraw/zinc/78/15/13/445781513.db2.gz VDHPNCVLUDWNHH-CQSZACIVSA-N 2 0 340.537 1.801 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000350222385 445796213 /nfs/dbraw/zinc/79/62/13/445796213.db2.gz SCZNLAIVRISGCU-OAHLLOKOSA-N 2 0 338.452 1.744 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C(C)C ZINC000356469151 445807979 /nfs/dbraw/zinc/80/79/79/445807979.db2.gz ZYLSKSGELPOEMF-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000356683450 445936702 /nfs/dbraw/zinc/93/67/02/445936702.db2.gz UBVRCAVUALWDQT-MRXNPFEDSA-N 2 0 347.503 1.720 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000350732111 445891145 /nfs/dbraw/zinc/89/11/45/445891145.db2.gz JQRDRLJAIVTPQF-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP Cn1ccnc1[C@@H]1CCCN(c2ccnc(N3CCOCC3)n2)C1 ZINC000373060049 445999646 /nfs/dbraw/zinc/99/96/46/445999646.db2.gz RYNXIPBACWUEJG-CQSZACIVSA-N 2 0 328.420 1.431 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000369244645 446017542 /nfs/dbraw/zinc/01/75/42/446017542.db2.gz SHQIVJPRIWOYDN-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000583140531 326011073 /nfs/dbraw/zinc/01/10/73/326011073.db2.gz AMXOPTNTETVQCI-BHIYHBOVSA-N 2 0 344.503 1.561 20 0 EDADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000583258825 326035937 /nfs/dbraw/zinc/03/59/37/326035937.db2.gz UDWBGDSUYOJXMZ-AABGKKOBSA-N 2 0 332.488 1.948 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H](C)CCC[NH3+])Cc1ccc(OC)c(F)c1 ZINC000583500538 326085776 /nfs/dbraw/zinc/08/57/76/326085776.db2.gz FIUADQDZRQOJCU-JSGCOSHPSA-N 2 0 325.428 1.456 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000583516995 326089071 /nfs/dbraw/zinc/08/90/71/326089071.db2.gz XTRIBUBYBPYTIG-UKRRQHHQSA-N 2 0 325.428 1.093 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000583860141 326153808 /nfs/dbraw/zinc/15/38/08/326153808.db2.gz OZORPVGNRITVJQ-NVXWUHKLSA-N 2 0 331.464 1.261 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC2(C[NH3+])CC2)c2ccccc2)CC1 ZINC000584169669 326212711 /nfs/dbraw/zinc/21/27/11/326212711.db2.gz JMMDBTTVSGKMIU-KRWDZBQOSA-N 2 0 330.476 1.220 20 0 EDADRP C[C@@]1([NH2+]C[C@H](O)C[NH2+][C@@]2(C)CCO[C@H]2C2CC2)CCO[C@H]1C1CC1 ZINC000369327116 446075477 /nfs/dbraw/zinc/07/54/77/446075477.db2.gz OMMMPTFABRLXTG-FKSLSLAPSA-N 2 0 338.492 1.442 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000369335125 446080269 /nfs/dbraw/zinc/08/02/69/446080269.db2.gz OPUGFQDLLJOHRO-SFHVURJKSA-N 2 0 327.513 1.264 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CC[NH+](CCOC)C1)[N@H+](C)Cc1ccccc1 ZINC000354286256 446082352 /nfs/dbraw/zinc/08/23/52/446082352.db2.gz XGBOWLXDECORPK-ZWKOTPCHSA-N 2 0 333.476 1.734 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)CC1 ZINC000365258714 446108089 /nfs/dbraw/zinc/10/80/89/446108089.db2.gz HLGVIJXPXVLPTO-RYRKJORJSA-N 2 0 349.523 1.081 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCCOC1 ZINC000356904462 446110846 /nfs/dbraw/zinc/11/08/46/446110846.db2.gz TZUKRZJFXAHRNW-YTQUADARSA-N 2 0 347.503 1.680 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266793 446113276 /nfs/dbraw/zinc/11/32/76/446113276.db2.gz LSXYNBYNEXFVFN-TWMKSMIVSA-N 2 0 336.476 1.951 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000351525507 446126937 /nfs/dbraw/zinc/12/69/37/446126937.db2.gz UKMUQURLMMUPAK-KRWDZBQOSA-N 2 0 346.475 1.011 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000359346618 446165228 /nfs/dbraw/zinc/16/52/28/446165228.db2.gz CLCXLASNQAESRV-RDJZCZTQSA-N 2 0 334.439 1.964 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000366378718 446180982 /nfs/dbraw/zinc/18/09/82/446180982.db2.gz SAKWSGQBIYPMSC-BHYGNILZSA-N 2 0 344.459 1.284 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369681451 446146127 /nfs/dbraw/zinc/14/61/27/446146127.db2.gz LYNKXHDZBXBDFK-HNNXBMFYSA-N 2 0 348.495 2.146 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)C[C@H]3CCC[NH2+]3)CC2)CC1 ZINC000366323905 446150782 /nfs/dbraw/zinc/15/07/82/446150782.db2.gz MTLXFTZRGXRXNU-QGZVFWFLSA-N 2 0 336.524 1.441 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@@H]1c1cccc(Cl)c1 ZINC000365333928 446153094 /nfs/dbraw/zinc/15/30/94/446153094.db2.gz ZCRSDJHLCJERTE-HNKHHVNMSA-N 2 0 337.851 1.172 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@](C)(O)c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373532418 446251501 /nfs/dbraw/zinc/25/15/01/446251501.db2.gz WSBDFCGCACPVIQ-YLJYHZDGSA-N 2 0 331.504 1.994 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H]1SC ZINC000362301340 446312078 /nfs/dbraw/zinc/31/20/78/446312078.db2.gz ZIDXAZZBEOONHA-XBVQOTNRSA-N 2 0 328.522 1.986 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359637691 446331428 /nfs/dbraw/zinc/33/14/28/446331428.db2.gz RQSDTUQERSCKEO-GOEBONIOSA-N 2 0 328.526 1.597 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000417488852 446355263 /nfs/dbraw/zinc/35/52/63/446355263.db2.gz ATVBKGWXDAFBGS-FUHWJXTLSA-N 2 0 330.476 1.588 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000374178849 446356384 /nfs/dbraw/zinc/35/63/84/446356384.db2.gz ZDXOKLJTVYCWCX-MRXNPFEDSA-N 2 0 343.537 1.466 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417508531 446357295 /nfs/dbraw/zinc/35/72/95/446357295.db2.gz TUZMJAZPEGFZPJ-SJLPKXTDSA-N 2 0 332.492 1.978 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000417530965 446362787 /nfs/dbraw/zinc/36/27/87/446362787.db2.gz SWVHZZBQZDZUIG-WMZOPIPTSA-N 2 0 348.491 1.596 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000370637482 446367799 /nfs/dbraw/zinc/36/77/99/446367799.db2.gz XCYGQVUJJTXRCD-ROUUACIJSA-N 2 0 331.460 1.419 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)[C@H]2C)[C@@H](C)C1 ZINC000417674349 446369268 /nfs/dbraw/zinc/36/92/68/446369268.db2.gz ZBWKMNZDZJQAEK-HZMVEIRTSA-N 2 0 340.512 1.515 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000417910970 446383817 /nfs/dbraw/zinc/38/38/17/446383817.db2.gz LZGPTEOKLMIIPF-KURKYZTESA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000365877384 446384612 /nfs/dbraw/zinc/38/46/12/446384612.db2.gz KSKQPTKLGKPXGB-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)CCC(F)(F)F ZINC000418075508 446432808 /nfs/dbraw/zinc/43/28/08/446432808.db2.gz HBQLXEZDOKDIGJ-CHWSQXEVSA-N 2 0 336.402 1.512 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418101692 446440011 /nfs/dbraw/zinc/44/00/11/446440011.db2.gz GHTNXQGLYXYOBK-IPMKNSEASA-N 2 0 342.487 1.759 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(c3ccnc(N4CCCCC4)n3)C2)nn1 ZINC000420278302 446447116 /nfs/dbraw/zinc/44/71/16/446447116.db2.gz IUAGMDNYPJWILL-OAHLLOKOSA-N 2 0 342.451 1.359 20 0 EDADRP C[C@@](C[NH3+])(NCCN(Cc1ccccc1)S(C)(=O)=O)C1CC1 ZINC000420282962 446449534 /nfs/dbraw/zinc/44/95/34/446449534.db2.gz BMOPROWDGGZXNJ-INIZCTEOSA-N 2 0 325.478 1.165 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417988728 446408714 /nfs/dbraw/zinc/40/87/14/446408714.db2.gz HTTCEKHIUPLGCD-AITUJVMLSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996160 446409879 /nfs/dbraw/zinc/40/98/79/446409879.db2.gz QOEGOABRBOPZOB-YVSFHVDLSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418011620 446415586 /nfs/dbraw/zinc/41/55/86/446415586.db2.gz LBZHBRLEWYQKGY-YVWKXTFCSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000418012702 446415699 /nfs/dbraw/zinc/41/56/99/446415699.db2.gz YBBDCOHKVHFLMZ-BGTYHANMSA-N 2 0 330.476 1.853 20 0 EDADRP COCC[C@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000370762757 446421832 /nfs/dbraw/zinc/42/18/32/446421832.db2.gz AOTIBHBXVIUFSW-CRAIPNDOSA-N 2 0 325.497 1.629 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)[C@H](C[NH3+])C1 ZINC000418051437 446425242 /nfs/dbraw/zinc/42/52/42/446425242.db2.gz YIWUGFFGEBZLAT-OWCLPIDISA-N 2 0 326.485 1.399 20 0 EDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423235293 446460814 /nfs/dbraw/zinc/46/08/14/446460814.db2.gz QSMXYJRSHOBRNA-QAPCUYQASA-N 2 0 325.460 1.862 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306187 446469368 /nfs/dbraw/zinc/46/93/68/446469368.db2.gz AAISTPXVCDOAAL-QFBILLFUSA-N 3 0 349.519 1.762 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000420307573 446470085 /nfs/dbraw/zinc/47/00/85/446470085.db2.gz BVQIDXJPNIWRIR-LJQANCHMSA-N 2 0 347.503 1.782 20 0 EDADRP Cn1ccnc1C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420321065 446487356 /nfs/dbraw/zinc/48/73/56/446487356.db2.gz ZJXUOIKHDMBYJL-DLBZAZTESA-N 3 0 331.508 1.754 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)COC2CC[NH2+]CC2)C1 ZINC000423322952 446488154 /nfs/dbraw/zinc/48/81/54/446488154.db2.gz HQYTYMJTHHLDIT-IYBDPMFKSA-N 2 0 325.497 1.629 20 0 EDADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321941 446488313 /nfs/dbraw/zinc/48/83/13/446488313.db2.gz DGSPOZUYFVQNII-RBUKOAKNSA-N 2 0 345.487 1.771 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc3c(c2)C[NH2+]CC3)cn1 ZINC000367040988 446484831 /nfs/dbraw/zinc/48/48/31/446484831.db2.gz PQEKHTNZLSTEQI-SJORKVTESA-N 2 0 325.416 1.008 20 0 EDADRP C[C@@]1(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[NH2+]C1 ZINC000423326589 446489590 /nfs/dbraw/zinc/48/95/90/446489590.db2.gz CNWDYKYTCAEFFL-IAGOWNOFSA-N 2 0 337.489 1.691 20 0 EDADRP C[C@@]1(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[NH2+]C1 ZINC000423326588 446489849 /nfs/dbraw/zinc/48/98/49/446489849.db2.gz CNWDYKYTCAEFFL-DLBZAZTESA-N 2 0 337.489 1.691 20 0 EDADRP CN(C(=O)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000420326883 446492917 /nfs/dbraw/zinc/49/29/17/446492917.db2.gz XUZMGWGUSPRQPQ-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423335746 446493409 /nfs/dbraw/zinc/49/34/09/446493409.db2.gz RYEFRBIKKLZHNX-MRXNPFEDSA-N 2 0 345.491 1.825 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@@H]1CCOc2ccccc21 ZINC000420331512 446501253 /nfs/dbraw/zinc/50/12/53/446501253.db2.gz CBUCBLWURDVLEV-XYJFISCASA-N 2 0 343.471 1.948 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423367602 446503615 /nfs/dbraw/zinc/50/36/15/446503615.db2.gz DJBSRKAXHSPLGF-GJZGRUSLSA-N 2 0 333.480 1.491 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423372385 446506519 /nfs/dbraw/zinc/50/65/19/446506519.db2.gz GDUCIJJPVGASAN-UONOGXRCSA-N 2 0 331.464 1.623 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[NH2+]C1 ZINC000423376904 446508479 /nfs/dbraw/zinc/50/84/79/446508479.db2.gz JGSJHAWVLBTOKF-SFHVURJKSA-N 2 0 349.500 1.800 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000423376073 446509069 /nfs/dbraw/zinc/50/90/69/446509069.db2.gz AJHDQXQSPWQNOK-CVEARBPZSA-N 2 0 340.512 1.151 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423384388 446512017 /nfs/dbraw/zinc/51/20/17/446512017.db2.gz QADDUPDUYVCBOE-HRCADAONSA-N 2 0 340.512 1.149 20 0 EDADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341106 446512327 /nfs/dbraw/zinc/51/23/27/446512327.db2.gz NQTDSNSJRNGGFS-MSOLQXFVSA-N 2 0 345.487 1.975 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1)c1ccccc1 ZINC000420342294 446513801 /nfs/dbraw/zinc/51/38/01/446513801.db2.gz QRNFJJVIOABCRM-GOSISDBHSA-N 3 0 344.503 1.481 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCc1ccc(F)cc1 ZINC000420343313 446515061 /nfs/dbraw/zinc/51/50/61/446515061.db2.gz QMYZIMWNXCQOQS-SJORKVTESA-N 2 0 333.451 1.806 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423341514 446497215 /nfs/dbraw/zinc/49/72/15/446497215.db2.gz XZEPAKYNSBTWCC-LSDHHAIUSA-N 2 0 333.480 1.301 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358918 446498569 /nfs/dbraw/zinc/49/85/69/446498569.db2.gz OGRBWXZUJLYAOP-CBZIJGRNSA-N 2 0 337.508 1.722 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)C(=O)OC ZINC000420330523 446499033 /nfs/dbraw/zinc/49/90/33/446499033.db2.gz QASXSUZIMAHPIK-JKQORVJESA-N 2 0 339.480 1.012 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433371538 446565782 /nfs/dbraw/zinc/56/57/82/446565782.db2.gz BJADFXAJIPJGHV-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP COCC1(C[NH2+][C@H](c2cnn[nH]2)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000423407598 446520951 /nfs/dbraw/zinc/52/09/51/446520951.db2.gz MSKPWABYMOZUPZ-INIZCTEOSA-N 2 0 333.411 1.639 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000423422914 446529988 /nfs/dbraw/zinc/52/99/88/446529988.db2.gz DFFXDKDUELQCCW-RDJZCZTQSA-N 2 0 327.513 1.955 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418496751 446567197 /nfs/dbraw/zinc/56/71/97/446567197.db2.gz GBLAARUFBLFLGP-QRVBRYPASA-N 2 0 342.487 1.902 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418411310 446533829 /nfs/dbraw/zinc/53/38/29/446533829.db2.gz PDUGDHNGQOBDSO-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@H](NC(=O)CC1(C[NH3+])CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000423432519 446534551 /nfs/dbraw/zinc/53/45/51/446534551.db2.gz ONCDKYCFCCCPAW-ZWKOTPCHSA-N 2 0 345.487 1.911 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000433139401 446535452 /nfs/dbraw/zinc/53/54/52/446535452.db2.gz XFFUCSYBOUKETP-LJQANCHMSA-N 3 0 344.503 1.580 20 0 EDADRP CCO[C@@H]1C[C@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433155359 446538323 /nfs/dbraw/zinc/53/83/23/446538323.db2.gz DTDLGCQUVJFTIV-JKSUJKDBSA-N 2 0 325.497 1.852 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423445626 446540734 /nfs/dbraw/zinc/54/07/34/446540734.db2.gz YEGDLLJACTXTCS-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CNC(=O)Nc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433166754 446541584 /nfs/dbraw/zinc/54/15/84/446541584.db2.gz GUHLCNKBFHSDBH-UHFFFAOYSA-N 2 0 333.436 1.580 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)cc1 ZINC000420365090 446544769 /nfs/dbraw/zinc/54/47/69/446544769.db2.gz RUFPPSWNEZXTBI-RDTXWAMCSA-N 2 0 333.476 1.974 20 0 EDADRP CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420365068 446544975 /nfs/dbraw/zinc/54/49/75/446544975.db2.gz DMAVUXHLAALYCP-HNNXBMFYSA-N 2 0 336.501 1.880 20 0 EDADRP COC1([C@@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453124166 446545150 /nfs/dbraw/zinc/54/51/50/446545150.db2.gz NRPPKJPAPLLTFH-MJGOQNOKSA-N 2 0 348.487 1.797 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000375052090 446545628 /nfs/dbraw/zinc/54/56/28/446545628.db2.gz BLDMNCYQDCNAFM-JLSDUUJJSA-N 2 0 331.460 1.647 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000418470076 446556296 /nfs/dbraw/zinc/55/62/96/446556296.db2.gz QJAXPRJDXDHKEU-HNNXBMFYSA-N 2 0 327.517 1.171 20 0 EDADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000433391026 446568247 /nfs/dbraw/zinc/56/82/47/446568247.db2.gz UELYURLCQOHURG-MRXNPFEDSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000433462867 446577087 /nfs/dbraw/zinc/57/70/87/446577087.db2.gz MKEITIZRRBLSMQ-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP Cn1nccc1[C@H]1[C@H]([NH2+]CCC2CC[NH2+]CC2)CC(=O)N1C1CC1 ZINC000420421848 446597576 /nfs/dbraw/zinc/59/75/76/446597576.db2.gz YVVDWJVZGIERFR-CRAIPNDOSA-N 2 0 331.464 1.204 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418587661 446603823 /nfs/dbraw/zinc/60/38/23/446603823.db2.gz GYUSWPRIXSBZGE-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cc(C)no1 ZINC000418626900 446619854 /nfs/dbraw/zinc/61/98/54/446619854.db2.gz MIMRCLNGUSVIIX-IHRRRGAJSA-N 2 0 341.431 1.145 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000418739250 446661862 /nfs/dbraw/zinc/66/18/62/446661862.db2.gz ZZGWKMSYNJDUTI-YIYWWNGQSA-N 2 0 334.508 1.957 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000418752884 446670706 /nfs/dbraw/zinc/67/07/06/446670706.db2.gz UQLNWZVYQIQIBY-KBPBESRZSA-N 2 0 330.423 1.644 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418755367 446673841 /nfs/dbraw/zinc/67/38/41/446673841.db2.gz FUYSCAMDVCDPRU-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1c(Cl)cccc1Cl ZINC000420448861 446625295 /nfs/dbraw/zinc/62/52/95/446625295.db2.gz FCQSXTAHXVEEME-UHFFFAOYSA-N 2 0 340.276 1.682 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418637413 446626095 /nfs/dbraw/zinc/62/60/95/446626095.db2.gz NOWKKMJOYPBOFT-QGZVFWFLSA-N 2 0 334.464 1.093 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418649867 446632918 /nfs/dbraw/zinc/63/29/18/446632918.db2.gz WXJGRGRPKHNOSX-QGZVFWFLSA-N 2 0 332.492 1.978 20 0 EDADRP O[C@@H](COC1CCOCC1)CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205247 446688021 /nfs/dbraw/zinc/68/80/21/446688021.db2.gz PVCSZHNJQOIDHL-ZWKOTPCHSA-N 2 0 340.508 1.741 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000423758961 446688892 /nfs/dbraw/zinc/68/88/92/446688892.db2.gz KYQLPUAPIRVKJH-FHWLQOOXSA-N 2 0 348.535 1.393 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000368187540 446693454 /nfs/dbraw/zinc/69/34/54/446693454.db2.gz WPTIVOKHKJVUPX-PKOBYXMFSA-N 2 0 342.487 1.327 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770657 446696596 /nfs/dbraw/zinc/69/65/96/446696596.db2.gz DNKULUPOSFKBBY-NXHRZFHOSA-N 2 0 331.460 1.392 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](Cc3ccccc3)C2)CC1 ZINC000423772130 446697715 /nfs/dbraw/zinc/69/77/15/446697715.db2.gz KLTGVDXZBMLNJX-IBGZPJMESA-N 2 0 345.487 1.660 20 0 EDADRP CC[C@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423822732 446712028 /nfs/dbraw/zinc/71/20/28/446712028.db2.gz JXSYLHJHTCKVHZ-ICSRJNTNSA-N 2 0 345.487 1.736 20 0 EDADRP COCC[C@@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846364 446728373 /nfs/dbraw/zinc/72/83/73/446728373.db2.gz PBNHSZYVLOHDIW-LPHOPBHVSA-N 2 0 333.476 1.639 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000418829814 446736864 /nfs/dbraw/zinc/73/68/64/446736864.db2.gz XJDDFUGJZCWIQA-IAGOWNOFSA-N 2 0 348.491 1.348 20 0 EDADRP C[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000423750174 446679649 /nfs/dbraw/zinc/67/96/49/446679649.db2.gz SUXBNTXUYSUJET-BRWVUGGUSA-N 2 0 325.497 1.581 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418761598 446680256 /nfs/dbraw/zinc/68/02/56/446680256.db2.gz HYVQHWSNPJHVEY-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)C(C)C ZINC000420680081 446744280 /nfs/dbraw/zinc/74/42/80/446744280.db2.gz XHGUJZWMOFFVDI-UHFFFAOYSA-N 2 0 345.447 1.186 20 0 EDADRP Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371294608 446750061 /nfs/dbraw/zinc/75/00/61/446750061.db2.gz LWRBRYANNUUKLN-KVPLUYHFSA-N 2 0 348.487 1.918 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418922719 446800348 /nfs/dbraw/zinc/80/03/48/446800348.db2.gz DUOBQTXIXGDFEC-KBPBESRZSA-N 2 0 334.464 1.169 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[C@H]([NH3+])C3)cc2)CC1 ZINC000423990767 446812149 /nfs/dbraw/zinc/81/21/49/446812149.db2.gz ZOUAMFCYHZYSGU-MAUKXSAKSA-N 2 0 330.476 1.636 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000376933450 446804643 /nfs/dbraw/zinc/80/46/43/446804643.db2.gz PTROCLUXLQUTGD-IXDOHACOSA-N 2 0 341.496 1.055 20 0 EDADRP OCC1(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000368444764 446867082 /nfs/dbraw/zinc/86/70/82/446867082.db2.gz CUEJQUYFOJWNMF-RBUKOAKNSA-N 2 0 330.472 1.982 20 0 EDADRP CS(=O)(=O)CCCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385926 446869075 /nfs/dbraw/zinc/86/90/75/446869075.db2.gz WYDLTJKVUJLFLC-WBVHZDCISA-N 2 0 338.473 1.657 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000424460037 446878453 /nfs/dbraw/zinc/87/84/53/446878453.db2.gz XVJOHRHFZJWNPX-HUUCEWRRSA-N 2 0 346.475 1.771 20 0 EDADRP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371472954 446879982 /nfs/dbraw/zinc/87/99/82/446879982.db2.gz JGKRWKWFRBDADJ-HUYLIWGRSA-N 2 0 329.488 1.603 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419047010 446883423 /nfs/dbraw/zinc/88/34/23/446883423.db2.gz RALMZAKPAXBFOI-USXIJHARSA-N 2 0 346.475 1.038 20 0 EDADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371589977 446935915 /nfs/dbraw/zinc/93/59/15/446935915.db2.gz KAKAEVVLGWLROW-RCCFBDPRSA-N 2 0 331.460 1.139 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000413126567 447019280 /nfs/dbraw/zinc/01/92/80/447019280.db2.gz HWQCSSWWBOZWKW-CRAIPNDOSA-N 2 0 330.476 1.827 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419169170 446984791 /nfs/dbraw/zinc/98/47/91/446984791.db2.gz LUYUFQDLTJIYFA-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000413096637 446997530 /nfs/dbraw/zinc/99/75/30/446997530.db2.gz FHOKDTYOSBWTGM-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000372095346 446998630 /nfs/dbraw/zinc/99/86/30/446998630.db2.gz MXNWMIQGXQWTIB-LVQVYYBASA-N 2 0 341.521 1.087 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059262 447002765 /nfs/dbraw/zinc/00/27/65/447002765.db2.gz MDZIDXUVQNQTGB-ZIAGYGMSSA-N 2 0 333.432 1.846 20 0 EDADRP C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461180 447063586 /nfs/dbraw/zinc/06/35/86/447063586.db2.gz ZQWKNNZLFFARFR-RBUKOAKNSA-N 2 0 338.540 1.199 20 0 EDADRP CCCS(=O)(=O)CCN1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000375807850 447067203 /nfs/dbraw/zinc/06/72/03/447067203.db2.gz CZXUTVQBHCOGGO-OAHLLOKOSA-N 2 0 325.478 1.949 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486279 447157868 /nfs/dbraw/zinc/15/78/68/447157868.db2.gz FNJRTXWZSUJWRF-CABCVRRESA-N 2 0 347.463 1.747 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000375942333 447165162 /nfs/dbraw/zinc/16/51/62/447165162.db2.gz PEYATOSIKFHEGP-NUJGCVRESA-N 2 0 328.497 1.595 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000375892490 447126675 /nfs/dbraw/zinc/12/66/75/447126675.db2.gz VHWKIKUYRCFGNP-OALUTQOASA-N 2 0 347.503 1.527 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@@](C)(NCC(=O)OC(C)(C)C)C1)[NH+](C)C ZINC000455430465 447127606 /nfs/dbraw/zinc/12/76/06/447127606.db2.gz KOIOVZPXQWBCKB-SUMWQHHRSA-N 2 0 342.484 1.042 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1(C)C ZINC000375955745 447173066 /nfs/dbraw/zinc/17/30/66/447173066.db2.gz YYRRGODWFROJIY-FCEWJHQRSA-N 2 0 331.460 1.522 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(n3ccnc3)CC2)CC1 ZINC000372604974 447176826 /nfs/dbraw/zinc/17/68/26/447176826.db2.gz DIZVFIGSDODRRB-UHFFFAOYSA-N 3 0 333.480 1.509 20 0 EDADRP Cc1cnc(NCC2([NH+](C)C)CCC2)nc1NCC1([NH+](C)C)CCC1 ZINC000445605385 447185287 /nfs/dbraw/zinc/18/52/87/447185287.db2.gz RLCPAPJZSBZVLD-UHFFFAOYSA-N 2 0 346.523 2.577 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+]2CC=C(C)CC2)CC1 ZINC000425508968 447203766 /nfs/dbraw/zinc/20/37/66/447203766.db2.gz ODKORIPUXCUGRU-UHFFFAOYSA-N 2 0 338.496 1.391 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000419474565 447207331 /nfs/dbraw/zinc/20/73/31/447207331.db2.gz CJTTWRVUONROCW-BZUAXINKSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419478380 447211016 /nfs/dbraw/zinc/21/10/16/447211016.db2.gz JJRLPJZKHCUVEY-JKSUJKDBSA-N 2 0 340.512 1.247 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3(O)CC[NH+](C)CC3)ccc21 ZINC000455899110 447252393 /nfs/dbraw/zinc/25/23/93/447252393.db2.gz FQTJTNNWOKOWJL-KRWDZBQOSA-N 2 0 346.475 1.814 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446039294 447217990 /nfs/dbraw/zinc/21/79/90/447217990.db2.gz LCDDJLOUZZIYJV-UHFFFAOYSA-N 2 0 334.464 1.186 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000419544429 447255006 /nfs/dbraw/zinc/25/50/06/447255006.db2.gz HRIBTCTXVCACIF-HOCLYGCPSA-N 2 0 338.496 1.014 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369047056 447286184 /nfs/dbraw/zinc/28/61/84/447286184.db2.gz KRUBLUYIJKECLL-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000458731046 447465567 /nfs/dbraw/zinc/46/55/67/447465567.db2.gz SCFJQGBYIAMIMZ-DLBZAZTESA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000415506815 447485702 /nfs/dbraw/zinc/48/57/02/447485702.db2.gz TXQBJNUTUPRDED-INIZCTEOSA-N 2 0 345.491 1.950 20 0 EDADRP C[C@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000390911485 447507361 /nfs/dbraw/zinc/50/73/61/447507361.db2.gz XGUKNAFIZPDKCA-HKUYNNGSSA-N 2 0 331.460 1.393 20 0 EDADRP CC[C@@H](C)[C@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)OC ZINC000458972116 447521809 /nfs/dbraw/zinc/52/18/09/447521809.db2.gz PHYBUAHJLYAINP-WBVHZDCISA-N 2 0 342.528 1.715 20 0 EDADRP CCc1nn(C)cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392465148 447524287 /nfs/dbraw/zinc/52/42/87/447524287.db2.gz BJFHHFRGRBYYDS-YOEHRIQHSA-N 2 0 333.480 1.063 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000400924834 447575100 /nfs/dbraw/zinc/57/51/00/447575100.db2.gz HAXWVQYSOIPAIV-QHAWAJNXSA-N 3 0 342.531 1.782 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCCC1 ZINC000457436737 447580619 /nfs/dbraw/zinc/58/06/19/447580619.db2.gz KFPYTXYPMAXDMV-HNNXBMFYSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCN1C ZINC000394408028 447538080 /nfs/dbraw/zinc/53/80/80/447538080.db2.gz MIIMQUFARFIKDM-OWCLPIDISA-N 2 0 340.512 1.467 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000457201572 447538782 /nfs/dbraw/zinc/53/87/82/447538782.db2.gz GEQHFHGJGKSVIJ-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP OC1(C[NH2+][C@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397577893 447550760 /nfs/dbraw/zinc/55/07/60/447550760.db2.gz DFMNNQXYKCBBJP-KRWDZBQOSA-N 2 0 326.444 1.945 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000427202848 447561904 /nfs/dbraw/zinc/56/19/04/447561904.db2.gz HLBXSEBFSTUGIM-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(=O)[nH]c(C3CC3)n2)C1 ZINC000459349497 447642707 /nfs/dbraw/zinc/64/27/07/447642707.db2.gz FBWSOUQRRXAAGH-MRXNPFEDSA-N 2 0 334.464 1.992 20 0 EDADRP COCC[NH2+]CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404264722 447598369 /nfs/dbraw/zinc/59/83/69/447598369.db2.gz GOUNQRVLMWUHHI-GVDBMIGSSA-N 2 0 333.476 1.732 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000420140132 447630191 /nfs/dbraw/zinc/63/01/91/447630191.db2.gz GSFVTVHZBOJMPV-XHSDSOJGSA-N 2 0 338.496 1.094 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000416814117 447691363 /nfs/dbraw/zinc/69/13/63/447691363.db2.gz FONHGKUASBSPBA-ZWKOTPCHSA-N 2 0 346.475 1.869 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000416833864 447693680 /nfs/dbraw/zinc/69/36/80/447693680.db2.gz RNEOHHSWWBQQIY-OCCSQVGLSA-N 2 0 342.390 1.713 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCCC2)C1 ZINC000416875146 447700425 /nfs/dbraw/zinc/70/04/25/447700425.db2.gz UXGKWCSYRGXHPS-IAGOWNOFSA-N 2 0 340.512 1.550 20 0 EDADRP CC1(C)CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@@H]2COC[C@@H]21 ZINC000495934280 447654689 /nfs/dbraw/zinc/65/46/89/447654689.db2.gz KVXBFNOBDJBFOG-DAYGRLMNSA-N 2 0 335.448 1.217 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457870338 447656200 /nfs/dbraw/zinc/65/62/00/447656200.db2.gz ZGRNRVCZNBYCRW-KRWDZBQOSA-N 2 0 338.496 1.007 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CCCC[NH+]1CCO)Cc1ccccc1 ZINC000457940284 447678633 /nfs/dbraw/zinc/67/86/33/447678633.db2.gz QJADKROBBYDKRZ-SFHVURJKSA-N 2 0 348.491 1.264 20 0 EDADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422637370 447682371 /nfs/dbraw/zinc/68/23/71/447682371.db2.gz OLBVSFYFPXEJMQ-OUAUKWLOSA-N 2 0 338.374 1.070 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000416759190 447685201 /nfs/dbraw/zinc/68/52/01/447685201.db2.gz MIWKGTPQUDGTTQ-HUUCEWRRSA-N 2 0 334.464 1.667 20 0 EDADRP C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422710283 447722794 /nfs/dbraw/zinc/72/27/94/447722794.db2.gz FOWYWFSJBVUZMP-SJLPKXTDSA-N 2 0 336.524 1.299 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422714671 447725154 /nfs/dbraw/zinc/72/51/54/447725154.db2.gz RILHIEXXHBDDRC-QAPCUYQASA-N 2 0 331.460 1.604 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCOCC2)cc1 ZINC000422752843 447739270 /nfs/dbraw/zinc/73/92/70/447739270.db2.gz FQEPXUSRDVMXIL-HKUYNNGSSA-N 2 0 333.476 1.800 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422840858 447765206 /nfs/dbraw/zinc/76/52/06/447765206.db2.gz CGOZEOKMYPGGKY-ROUUACIJSA-N 2 0 333.476 1.564 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777846 447748426 /nfs/dbraw/zinc/74/84/26/447748426.db2.gz GIVRYZBVJZUCKE-HOCLYGCPSA-N 2 0 328.464 1.902 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422776675 447748518 /nfs/dbraw/zinc/74/85/18/447748518.db2.gz AYUXKNSJQXDWFR-ARFHVFGLSA-N 2 0 348.491 1.751 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000429443007 447750088 /nfs/dbraw/zinc/75/00/88/447750088.db2.gz MHRQEZYQYDXTNH-MRXNPFEDSA-N 2 0 333.501 1.917 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496318975 447755898 /nfs/dbraw/zinc/75/58/98/447755898.db2.gz CGTVMMLNTUHDPF-GOSISDBHSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000422878192 447770459 /nfs/dbraw/zinc/77/04/59/447770459.db2.gz JIRCQWFTZWFALG-KURKYZTESA-N 2 0 338.540 1.830 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422949378 447778952 /nfs/dbraw/zinc/77/89/52/447778952.db2.gz TYBKMGQTFCYWDB-OFQRWUPVSA-N 2 0 339.505 1.976 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)ccn1 ZINC000423023909 447793077 /nfs/dbraw/zinc/79/30/77/447793077.db2.gz KSURIBLKFPKTOR-KURKYZTESA-N 2 0 348.491 1.269 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)[C@H](O)C(F)(F)F)CC[NH2+]CC1 ZINC000423028227 447793944 /nfs/dbraw/zinc/79/39/44/447793944.db2.gz SIOXKSHIYVAMIZ-TUAOUCFPSA-N 2 0 340.386 1.599 20 0 EDADRP CC[C@H]1CCCCN1C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451996016 447798683 /nfs/dbraw/zinc/79/86/83/447798683.db2.gz XSBPQAZHIMXJDW-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)CC[NH2+]CC1 ZINC000423090950 447803441 /nfs/dbraw/zinc/80/34/41/447803441.db2.gz WJPVMCPGNIJTTQ-HNNXBMFYSA-N 3 0 337.508 1.772 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]C2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663821 447843821 /nfs/dbraw/zinc/84/38/21/447843821.db2.gz PWUFWVHUNLUUMA-ZIAGYGMSSA-N 2 0 327.469 1.336 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](OC)[C@@H](OC)C2)CC1 ZINC000488530275 447848539 /nfs/dbraw/zinc/84/85/39/447848539.db2.gz KEXPRCPWGWBHMZ-KDURUIRLSA-N 2 0 333.476 1.674 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489791608 447874605 /nfs/dbraw/zinc/87/46/05/447874605.db2.gz USISTHCPJGEPTR-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCOC3)cc2)CC1 ZINC000575850054 447912088 /nfs/dbraw/zinc/91/20/88/447912088.db2.gz GRASXENFMMHPCY-SFHVURJKSA-N 2 0 331.460 1.653 20 0 EDADRP CN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000576037962 447955978 /nfs/dbraw/zinc/95/59/78/447955978.db2.gz IZTGIHNVZFNOKR-FUHWJXTLSA-N 2 0 348.466 1.139 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)CC1 ZINC000530584080 447921888 /nfs/dbraw/zinc/92/18/88/447921888.db2.gz GNSFPADKITWUME-SFHVURJKSA-N 2 0 336.524 1.491 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000525294350 447989890 /nfs/dbraw/zinc/98/98/90/447989890.db2.gz NRYLVPATYKYEMW-HRCADAONSA-N 2 0 326.485 1.125 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCC2)CC1 ZINC000496891174 448009261 /nfs/dbraw/zinc/00/92/61/448009261.db2.gz HDXNHXVRSQSSON-CYBMUJFWSA-N 2 0 325.457 1.206 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305961 448059308 /nfs/dbraw/zinc/05/93/08/448059308.db2.gz LQTFIIDZQNNBQP-HOCLYGCPSA-N 2 0 335.448 1.739 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)[NH3+])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305960 448059598 /nfs/dbraw/zinc/05/95/98/448059598.db2.gz LQTFIIDZQNNBQP-GOEBONIOSA-N 2 0 335.448 1.739 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000531491064 448093046 /nfs/dbraw/zinc/09/30/46/448093046.db2.gz CFPWJKMQAMCOKN-OAHLLOKOSA-N 3 0 329.533 1.098 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000576704476 448119989 /nfs/dbraw/zinc/11/99/89/448119989.db2.gz UMQHGMARHBZZDJ-VQTJNVASSA-N 2 0 330.520 1.564 20 0 EDADRP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000576767665 448136272 /nfs/dbraw/zinc/13/62/72/448136272.db2.gz DJDUSINWGUKFIW-NVXWUHKLSA-N 2 0 339.443 1.139 20 0 EDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000497081606 448183154 /nfs/dbraw/zinc/18/31/54/448183154.db2.gz WIAXNGGAGAZEEB-SFHVURJKSA-N 2 0 341.496 1.945 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000571645233 448185681 /nfs/dbraw/zinc/18/56/81/448185681.db2.gz OFBCOEXGPGOVEB-INIZCTEOSA-N 2 0 332.492 1.935 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)C2)CC1 ZINC000532093916 448200585 /nfs/dbraw/zinc/20/05/85/448200585.db2.gz QAOVEVWFXZZQKP-KSZLIROESA-N 2 0 336.524 1.486 20 0 EDADRP CS[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH+]1CCCC1 ZINC000582555432 448274003 /nfs/dbraw/zinc/27/40/03/448274003.db2.gz MYEUBHZTEYNPSN-HUUCEWRRSA-N 2 0 325.522 1.757 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CCC[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000577474653 448305565 /nfs/dbraw/zinc/30/55/65/448305565.db2.gz DWNNPORNYWBEIO-AEFFLSMTSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000572291620 448338073 /nfs/dbraw/zinc/33/80/73/448338073.db2.gz UAZCOGYIMBJENI-NXHRZFHOSA-N 2 0 337.508 1.996 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NC(=O)Nc1ccccc1 ZINC000591446799 448366170 /nfs/dbraw/zinc/36/61/70/448366170.db2.gz HBTLBYQRAKYORX-MRXNPFEDSA-N 2 0 330.432 1.799 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1cc(C)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000582962459 448389669 /nfs/dbraw/zinc/38/96/69/448389669.db2.gz FXXYLHDWZYAGIB-GOSISDBHSA-N 2 0 348.491 1.828 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000572489320 448393279 /nfs/dbraw/zinc/39/32/79/448393279.db2.gz NAVSQPSPPNNSHK-UHFFFAOYSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCOC[C@H]1C ZINC000591574030 448393308 /nfs/dbraw/zinc/39/33/08/448393308.db2.gz UWRZDWHFYOCVBS-VVLHAWIVSA-N 2 0 340.512 1.373 20 0 EDADRP COc1ccc2c(c1)OC[C@H]2CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000534821927 448469847 /nfs/dbraw/zinc/46/98/47/448469847.db2.gz TUVXQFUGAOFFBS-OAHLLOKOSA-N 2 0 349.475 1.513 20 0 EDADRP Cc1c(C(=O)Nc2ccc(OCC[NH3+])cc2)nnn1C1CC[NH2+]CC1 ZINC000516567844 448440942 /nfs/dbraw/zinc/44/09/42/448440942.db2.gz GQAFHIGARNDLNC-UHFFFAOYSA-N 2 0 344.419 1.101 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000572803071 448465970 /nfs/dbraw/zinc/46/59/70/448465970.db2.gz PYKMUWZZAKOXKU-OCCSQVGLSA-N 2 0 329.404 1.071 20 0 EDADRP C[C@H]1C[C@@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000591757047 448481981 /nfs/dbraw/zinc/48/19/81/448481981.db2.gz TXAQEWMQXBCXSG-GOEBONIOSA-N 2 0 332.448 1.462 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000591726514 448473233 /nfs/dbraw/zinc/47/32/33/448473233.db2.gz DQOSZGHZFFDWNG-BRWVUGGUSA-N 2 0 348.443 1.429 20 0 EDADRP C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578354606 448527784 /nfs/dbraw/zinc/52/77/84/448527784.db2.gz PQEUQTSNJNIECL-IUGDKWEMSA-N 2 0 348.491 1.750 20 0 EDADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000584528850 448558265 /nfs/dbraw/zinc/55/82/65/448558265.db2.gz BBYBTRAPYJZXQE-KRWDZBQOSA-N 2 0 331.460 1.211 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000517098481 448539084 /nfs/dbraw/zinc/53/90/84/448539084.db2.gz YENWFIFYXDCMSN-SFHVURJKSA-N 2 0 346.475 1.837 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000517141947 448543019 /nfs/dbraw/zinc/54/30/19/448543019.db2.gz IDYDMYRGCODPMN-ROUUACIJSA-N 2 0 330.476 1.061 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000584616788 448585524 /nfs/dbraw/zinc/58/55/24/448585524.db2.gz LPYKAAKVVXEHBY-FGTMMUONSA-N 2 0 330.476 1.219 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000578647789 448603243 /nfs/dbraw/zinc/60/32/43/448603243.db2.gz HTHAQDBSMNQQIW-HKUYNNGSSA-N 2 0 346.519 1.856 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)S3(=O)=O)CC1 ZINC000528780507 448672987 /nfs/dbraw/zinc/67/29/87/448672987.db2.gz IJOLMCZAKQOZDM-SJORKVTESA-N 2 0 343.537 1.054 20 0 EDADRP Cn1cc(-c2ncc(C[N@@H+]3CC[C@@H](Oc4ccncc4)C3)cn2)cn1 ZINC000567161464 448626535 /nfs/dbraw/zinc/62/65/35/448626535.db2.gz DPBXDNKICSMEIK-QGZVFWFLSA-N 2 0 336.399 1.925 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])[C@H](C)C1 ZINC000584783034 448631431 /nfs/dbraw/zinc/63/14/31/448631431.db2.gz JJDFDFQPFMCHFF-WCXIOVBPSA-N 2 0 327.513 1.859 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000573713254 448696884 /nfs/dbraw/zinc/69/68/84/448696884.db2.gz NHJGOLUKQQQLJK-BHIYHBOVSA-N 2 0 335.467 1.660 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)nc1 ZINC000518759365 448706878 /nfs/dbraw/zinc/70/68/78/448706878.db2.gz QVBNUWSNJWRXCB-INIZCTEOSA-N 2 0 346.475 1.809 20 0 EDADRP CCOCCO[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000518918473 448720778 /nfs/dbraw/zinc/72/07/78/448720778.db2.gz DXOANDYZJQCTOU-AWEZNQCLSA-N 2 0 336.436 1.214 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000592095625 448679991 /nfs/dbraw/zinc/67/99/91/448679991.db2.gz YDXRXRAVEFCIHB-RTBURBONSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCN(C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979179 448762037 /nfs/dbraw/zinc/76/20/37/448762037.db2.gz LSGUQJURJHBORZ-KSZLIROESA-N 2 0 339.524 1.407 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567677999 448734627 /nfs/dbraw/zinc/73/46/27/448734627.db2.gz GZLNMNZDVYBZKH-MAUKXSAKSA-N 2 0 334.460 1.647 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1)[C@@H]1CC[NH2+]C1 ZINC000519418521 448767968 /nfs/dbraw/zinc/76/79/68/448767968.db2.gz GKSICZKYWQQAEG-JGGQBBKZSA-N 2 0 329.423 1.987 20 0 EDADRP COc1ccc(C[NH+]2CCC(C[NH2+]CCC(=O)NC(N)=O)CC2)cc1 ZINC000579227618 448745620 /nfs/dbraw/zinc/74/56/20/448745620.db2.gz UVKHVLXWLOHAFX-UHFFFAOYSA-N 2 0 348.447 1.082 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)CN2CCOCC2)C1 ZINC000573914311 448746036 /nfs/dbraw/zinc/74/60/36/448746036.db2.gz ZYYRJVCTOYIAQZ-FGTMMUONSA-N 2 0 327.513 1.027 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000567764304 448754990 /nfs/dbraw/zinc/75/49/90/448754990.db2.gz WENLGSFZHYMDHM-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000519634085 448805493 /nfs/dbraw/zinc/80/54/93/448805493.db2.gz FCEXPYGJQCBEAD-ROUUACIJSA-N 2 0 330.476 1.807 20 0 EDADRP NC(=O)C1CCN(c2ncccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000567914920 448783017 /nfs/dbraw/zinc/78/30/17/448783017.db2.gz APBLHWRPAGWIKB-CVEARBPZSA-N 2 0 331.464 1.143 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000592391391 448820269 /nfs/dbraw/zinc/82/02/69/448820269.db2.gz OYEOISFYROQJKU-SCTDSRPQSA-N 2 0 341.540 1.509 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000529362669 448841003 /nfs/dbraw/zinc/84/10/03/448841003.db2.gz YGNMFFGQXYKZRG-DJIMGWMZSA-N 2 0 332.492 1.929 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000529381226 448850816 /nfs/dbraw/zinc/85/08/16/448850816.db2.gz QOSGSLOZDPWLGT-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP Cc1ccccc1-c1cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])n(C)n1 ZINC000579688339 448852622 /nfs/dbraw/zinc/85/26/22/448852622.db2.gz NHULUYOXOFJYQJ-CQSZACIVSA-N 2 0 342.447 1.502 20 0 EDADRP C[N@H+](CCN1CCCC1=O)Cc1cccc(CN2CCOCC2)c1 ZINC000568380005 448865164 /nfs/dbraw/zinc/86/51/64/448865164.db2.gz POFCOIQHEQWEGY-UHFFFAOYSA-N 2 0 331.460 1.573 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000568512798 448884245 /nfs/dbraw/zinc/88/42/45/448884245.db2.gz LKRPJYVKOYDOQK-IEBWSBKVSA-N 2 0 336.524 1.380 20 0 EDADRP COC(=O)c1cn([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000592495611 448863582 /nfs/dbraw/zinc/86/35/82/448863582.db2.gz NFMZTVKZJWGHAO-HNNXBMFYSA-N 2 0 335.452 1.481 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccc2c(c1)OCO2 ZINC000579942170 448915022 /nfs/dbraw/zinc/91/50/22/448915022.db2.gz GXNTUOYCSJHZPN-PEELUZDISA-N 2 0 345.443 1.713 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000588711925 448919527 /nfs/dbraw/zinc/91/95/27/448919527.db2.gz VDTLXCOZBBWBMQ-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1[nH]nc2ncc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000520369380 448889537 /nfs/dbraw/zinc/88/95/37/448889537.db2.gz VDRAQMLYJIXZRW-DLBZAZTESA-N 2 0 329.448 1.985 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521010136 448945120 /nfs/dbraw/zinc/94/51/20/448945120.db2.gz OETARMFNJDRFII-INIZCTEOSA-N 2 0 340.512 1.199 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000569314029 448998053 /nfs/dbraw/zinc/99/80/53/448998053.db2.gz LAELSYARNVNSOR-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000574987413 449007204 /nfs/dbraw/zinc/00/72/04/449007204.db2.gz XVUZSQQZUCHEOO-OKZBNKHCSA-N 2 0 328.460 1.881 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000575073480 449031021 /nfs/dbraw/zinc/03/10/21/449031021.db2.gz DANGQUJRRWGPPT-DOTOQJQBSA-N 2 0 332.448 1.493 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000582354475 449071023 /nfs/dbraw/zinc/07/10/23/449071023.db2.gz PDNNAHBKEBXUCD-CQSZACIVSA-N 2 0 327.375 1.761 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592956142 449076648 /nfs/dbraw/zinc/07/66/48/449076648.db2.gz DTWALLJNNKCFQN-QXSJWSMHSA-N 2 0 347.507 1.815 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960422 449085175 /nfs/dbraw/zinc/08/51/75/449085175.db2.gz ZXENJIWQGWQMKC-HUUCEWRRSA-N 2 0 333.480 1.714 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(O)CCC(C(=O)OCC)CC2)C1 ZINC000575248910 449069696 /nfs/dbraw/zinc/06/96/96/449069696.db2.gz YCTVCDACJPTJLH-HJOIGYKYSA-N 2 0 326.481 1.792 20 0 EDADRP CC(C)Oc1ccc(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000530225505 449087678 /nfs/dbraw/zinc/08/76/78/449087678.db2.gz ZWDMIVQAWIIFCD-UHFFFAOYSA-N 2 0 346.475 1.617 20 0 EDADRP CN(C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604208244 449192266 /nfs/dbraw/zinc/19/22/66/449192266.db2.gz IGPCKRZWIQMCBD-CRAIPNDOSA-N 2 0 349.523 1.033 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)c21 ZINC000595966564 449288693 /nfs/dbraw/zinc/28/86/93/449288693.db2.gz QIHAHGQWSFAOIP-HUUCEWRRSA-N 2 0 345.491 1.856 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC1 ZINC000605574931 449399928 /nfs/dbraw/zinc/39/99/28/449399928.db2.gz ADQBIFRGTBKGGL-UHFFFAOYSA-N 2 0 347.503 1.732 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000594587186 449585791 /nfs/dbraw/zinc/58/57/91/449585791.db2.gz QKCVCJDNSFIZPF-YESZJQIVSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cn1 ZINC000614436293 449607786 /nfs/dbraw/zinc/60/77/86/449607786.db2.gz RZCRHTPTDNXSAE-SFHVURJKSA-N 2 0 346.475 1.470 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602466243 449611927 /nfs/dbraw/zinc/61/19/27/449611927.db2.gz BHMWGEYGBJHYLT-WNSKOXEYSA-N 2 0 343.537 1.115 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CCCCCC1 ZINC000602468969 449616009 /nfs/dbraw/zinc/61/60/09/449616009.db2.gz SVCYDLKQIGTHLL-QHCPKHFHSA-N 2 0 343.537 1.258 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@@H]3C[C@H]3C(=O)OC)cn2)CC1 ZINC000594925178 449810383 /nfs/dbraw/zinc/81/03/83/449810383.db2.gz MCHGHMLHEZVWSX-HYVNUMGLSA-N 2 0 346.475 1.511 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000594926772 449810661 /nfs/dbraw/zinc/81/06/61/449810661.db2.gz YDTYITNRYXMRKZ-BHIYHBOVSA-N 2 0 345.487 1.591 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C3CC3)C3CC3)C2)CC1 ZINC000608439418 449840149 /nfs/dbraw/zinc/84/01/49/449840149.db2.gz XRMFGQLBDONNIC-MRXNPFEDSA-N 2 0 334.508 1.890 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612866091 449917224 /nfs/dbraw/zinc/91/72/24/449917224.db2.gz MOWSIMDGEDEBGW-DOTOQJQBSA-N 2 0 326.485 1.175 20 0 EDADRP Cc1ccoc1CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000613004976 449980259 /nfs/dbraw/zinc/98/02/59/449980259.db2.gz JKBJPPQFSPMQEB-SJPCQFCGSA-N 2 0 331.460 1.900 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[NH+](C)CC1 ZINC000597441798 450023203 /nfs/dbraw/zinc/02/32/03/450023203.db2.gz UYCIYBWTMZLJPW-CYBMUJFWSA-N 2 0 326.510 1.255 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(C)COC1 ZINC000625790458 450507837 /nfs/dbraw/zinc/50/78/37/450507837.db2.gz AJDNONMEAVBFJM-SJLPKXTDSA-N 2 0 345.487 1.734 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000625866265 450524160 /nfs/dbraw/zinc/52/41/60/450524160.db2.gz AYMJMADEXULFBJ-GXTWGEPZSA-N 2 0 334.468 1.720 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1(C)C ZINC000623521688 450536939 /nfs/dbraw/zinc/53/69/39/450536939.db2.gz BQQGQVLBGZRICT-KKUMJFAQSA-N 2 0 331.526 1.557 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000620770529 450541535 /nfs/dbraw/zinc/54/15/35/450541535.db2.gz CCVPAWHFPKSUPO-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP CC[C@@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C[C@H](C)[NH2+]1 ZINC000620902418 450557422 /nfs/dbraw/zinc/55/74/22/450557422.db2.gz WZPYQAKBWSJLFG-LSDHHAIUSA-N 2 0 331.464 1.046 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)cn1 ZINC000631587290 450667518 /nfs/dbraw/zinc/66/75/18/450667518.db2.gz RCTLMPVPTVRTAD-INIZCTEOSA-N 2 0 333.480 1.249 20 0 EDADRP CC(C)CO[C@H]1C[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1(C)C ZINC000624085871 450700628 /nfs/dbraw/zinc/70/06/28/450700628.db2.gz GUOSPZFFPFFKRR-XHSDSOJGSA-N 2 0 325.497 1.756 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000631677854 450710209 /nfs/dbraw/zinc/71/02/09/450710209.db2.gz IOFHSXIVSVQCPD-UHFFFAOYSA-N 2 0 338.477 1.019 20 0 EDADRP COc1cc(OC)cc([C@H](NC(=O)[C@@H](C)[NH+](C)C)c2nccn2C)c1 ZINC000635172452 450717765 /nfs/dbraw/zinc/71/77/65/450717765.db2.gz WYGPWOLJNNEIAH-WBMJQRKESA-N 2 0 346.431 1.593 20 0 EDADRP CCN(CC[NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000629557900 450734715 /nfs/dbraw/zinc/73/47/15/450734715.db2.gz IXLYYAMBPVDFJO-UHFFFAOYSA-N 2 0 336.505 1.455 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577120 450745392 /nfs/dbraw/zinc/74/53/92/450745392.db2.gz PYETTWLAVCSUGC-PMACEKPBSA-N 2 0 331.504 1.943 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1c(F)cccc1Cl)[N@H+](C)CCOCC[NH3+] ZINC000629578461 450745471 /nfs/dbraw/zinc/74/54/71/450745471.db2.gz CMPGMURHQWBDKT-LBPRGKRZSA-N 2 0 345.846 1.733 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590545 450753297 /nfs/dbraw/zinc/75/32/97/450753297.db2.gz OLFBAURKAUKWNF-YQQAZPJKSA-N 2 0 325.497 1.770 20 0 EDADRP O=C(Cc1ccc(-n2ccnc2)cc1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000633256917 450760279 /nfs/dbraw/zinc/76/02/79/450760279.db2.gz QKGZXRRPXHQKGB-KRWDZBQOSA-N 2 0 342.443 1.378 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000635217733 450760881 /nfs/dbraw/zinc/76/08/81/450760881.db2.gz SWVUCKHJZFGOPZ-AEFFLSMTSA-N 2 0 331.460 1.518 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000635253756 450785255 /nfs/dbraw/zinc/78/52/55/450785255.db2.gz MKASJMRCEUFJNQ-KRWDZBQOSA-N 2 0 330.476 1.267 20 0 EDADRP Cn1c2cc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)ccc2oc1=O ZINC000631828394 450800825 /nfs/dbraw/zinc/80/08/25/450800825.db2.gz NYPNCFRXAGZIKY-YJBOKZPZSA-N 2 0 345.443 1.850 20 0 EDADRP CCn1cc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000621775214 450862523 /nfs/dbraw/zinc/86/25/23/450862523.db2.gz ITEOKNHRIUZNPH-RDJZCZTQSA-N 2 0 333.480 1.026 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635399228 450906402 /nfs/dbraw/zinc/90/64/02/450906402.db2.gz LHJRIOULKHYBGO-INIZCTEOSA-N 2 0 327.513 1.972 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000631950547 450909062 /nfs/dbraw/zinc/90/90/62/450909062.db2.gz KPBJMFPUWGOWTH-HZPDHXFCSA-N 2 0 325.478 1.003 20 0 EDADRP CN1CC[NH+](CC2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000629979633 450932128 /nfs/dbraw/zinc/93/21/28/450932128.db2.gz HVAYDMMJXWBGOE-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000632018455 450971416 /nfs/dbraw/zinc/97/14/16/450971416.db2.gz CERXYBXESWWYNY-HOTGVXAUSA-N 2 0 331.526 1.607 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[NH2+]1 ZINC000626931056 451013613 /nfs/dbraw/zinc/01/36/13/451013613.db2.gz QHQCDGBBFVZSCZ-GOEBONIOSA-N 2 0 331.464 1.486 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)c1 ZINC000635527940 451024096 /nfs/dbraw/zinc/02/40/96/451024096.db2.gz NMHCUASOJQFYLQ-KYJSFNMBSA-N 2 0 346.475 1.963 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000626952786 451030631 /nfs/dbraw/zinc/03/06/31/451030631.db2.gz JMYAOVVSCJPTEZ-KRWDZBQOSA-N 2 0 336.480 1.475 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@@H](C)C1 ZINC000635571774 451070462 /nfs/dbraw/zinc/07/04/62/451070462.db2.gz CMUOVZWMKCSDAJ-ULQDDVLXSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627013750 451078076 /nfs/dbraw/zinc/07/80/76/451078076.db2.gz RDHYPNJDENAGBX-AEFFLSMTSA-N 2 0 348.491 1.384 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000632160068 451080704 /nfs/dbraw/zinc/08/07/04/451080704.db2.gz SYZWSLYRWXIMIQ-ROUUACIJSA-N 2 0 341.459 1.620 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000627018054 451083039 /nfs/dbraw/zinc/08/30/39/451083039.db2.gz QCBQMAIKDRLZNT-UHFFFAOYSA-N 2 0 334.464 1.098 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635604051 451097403 /nfs/dbraw/zinc/09/74/03/451097403.db2.gz UJDXHKKFZNFKRS-ZWKOTPCHSA-N 2 0 344.503 1.655 20 0 EDADRP Cc1cc(NCCNC(=O)N[C@@H](C[NH3+])CC(C)C)nc(C(C)C)n1 ZINC000627080456 451114043 /nfs/dbraw/zinc/11/40/43/451114043.db2.gz KTJAGOWWHAZILY-CQSZACIVSA-N 2 0 336.484 1.993 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000635638927 451126325 /nfs/dbraw/zinc/12/63/25/451126325.db2.gz BWRPBTXIKOVJPW-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627047655 451100255 /nfs/dbraw/zinc/10/02/55/451100255.db2.gz KIMHFYLMVYWKAQ-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C12CCC[NH+](CCC1)C2 ZINC000635705813 451185723 /nfs/dbraw/zinc/18/57/23/451185723.db2.gz ZRYFTAPKGFAGPR-ROUUACIJSA-N 2 0 349.519 1.747 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000627204632 451186077 /nfs/dbraw/zinc/18/60/77/451186077.db2.gz XWHKIDQYSVVISI-KANFNMMFSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212344 451189926 /nfs/dbraw/zinc/18/99/26/451189926.db2.gz MEWOVVPTBDJXLN-SJORKVTESA-N 2 0 340.512 1.648 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC000635720982 451197884 /nfs/dbraw/zinc/19/78/84/451197884.db2.gz FKHKWACYOBXOLL-BRWVUGGUSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627200530 451184036 /nfs/dbraw/zinc/18/40/36/451184036.db2.gz SDTPDWCXXYQBIR-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000638085595 451250538 /nfs/dbraw/zinc/25/05/38/451250538.db2.gz RTUHUGLZRFMRNV-CRAIPNDOSA-N 2 0 335.448 1.010 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000638086739 451252175 /nfs/dbraw/zinc/25/21/75/451252175.db2.gz VPEURXCOVMAZLA-MRXNPFEDSA-N 2 0 339.443 1.230 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)C1 ZINC000638086530 451252296 /nfs/dbraw/zinc/25/22/96/451252296.db2.gz TUYDBIMZURIPEA-DWRORGKVSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638098610 451263538 /nfs/dbraw/zinc/26/35/38/451263538.db2.gz BVAJTTDPZASPDY-SFHVURJKSA-N 2 0 332.492 1.436 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638099461 451265817 /nfs/dbraw/zinc/26/58/17/451265817.db2.gz LUMNVKFVHNTWPD-KRWDZBQOSA-N 2 0 335.448 1.312 20 0 EDADRP COCC[NH2+]CCc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630591434 451267985 /nfs/dbraw/zinc/26/79/85/451267985.db2.gz FEOJLOOGSRNJNN-SFHVURJKSA-N 2 0 329.448 1.504 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638104354 451272172 /nfs/dbraw/zinc/27/21/72/451272172.db2.gz YJMRGHSRPWWURQ-PKOBYXMFSA-N 2 0 349.475 1.053 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124301 451293703 /nfs/dbraw/zinc/29/37/03/451293703.db2.gz RXRYMPVHCZFNQH-BPQIPLTHSA-N 2 0 332.492 1.387 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638127322 451298568 /nfs/dbraw/zinc/29/85/68/451298568.db2.gz CETNUONWIVZFQR-RTBURBONSA-N 2 0 346.519 1.636 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000638129053 451300106 /nfs/dbraw/zinc/30/01/06/451300106.db2.gz RYELCUYVQNFXMY-KRWDZBQOSA-N 2 0 329.444 1.307 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638137337 451311448 /nfs/dbraw/zinc/31/14/48/451311448.db2.gz ISYPEPHQFXESIW-LJQANCHMSA-N 2 0 342.487 1.358 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000638139786 451314744 /nfs/dbraw/zinc/31/47/44/451314744.db2.gz HCIGHDKAZSKMDJ-SFHVURJKSA-N 3 0 347.507 1.473 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000638152445 451324467 /nfs/dbraw/zinc/32/44/67/451324467.db2.gz FHBCSYWKENXMDR-AWEZNQCLSA-N 2 0 332.448 1.195 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638251442 451382208 /nfs/dbraw/zinc/38/22/08/451382208.db2.gz HTQOAFMVRXNTNQ-LBPRGKRZSA-N 2 0 333.436 1.161 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCCNC(=O)C2)c2ccccc2)CC1 ZINC000638273384 451391558 /nfs/dbraw/zinc/39/15/58/451391558.db2.gz IHRNQUIUABEARK-MSOLQXFVSA-N 2 0 330.476 1.233 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+][C@H]2CCCNC(=O)C2)c2ccccc2)CC1 ZINC000638273387 451392207 /nfs/dbraw/zinc/39/22/07/451392207.db2.gz IHRNQUIUABEARK-ZWKOTPCHSA-N 2 0 330.476 1.233 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638286291 451402668 /nfs/dbraw/zinc/40/26/68/451402668.db2.gz PFYLACNMZVBYET-OAHLLOKOSA-N 2 0 339.443 1.672 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)Nc2cc(C[NH+](C)C)ccn2)C[C@H](C)O1 ZINC000640556777 451404098 /nfs/dbraw/zinc/40/40/98/451404098.db2.gz GIAQJIKDXQZIFP-GJZGRUSLSA-N 2 0 349.479 1.764 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000638298411 451413604 /nfs/dbraw/zinc/41/36/04/451413604.db2.gz PPUYTMNPYCUWEC-SFHVURJKSA-N 2 0 349.475 1.654 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000638323130 451431631 /nfs/dbraw/zinc/43/16/31/451431631.db2.gz GBUIMMIMHCHUPR-IBGZPJMESA-N 2 0 344.503 1.436 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCCO1 ZINC000638345496 451449435 /nfs/dbraw/zinc/44/94/35/451449435.db2.gz SQZCJUDGLLYANR-CHWSQXEVSA-N 2 0 331.338 1.281 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@]12CCCO2 ZINC000638359025 451458566 /nfs/dbraw/zinc/45/85/66/451458566.db2.gz FDRNORNOBMPMOH-RCCFBDPRSA-N 2 0 325.497 1.330 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnc(N)nc2N)cc1 ZINC000638364161 451461431 /nfs/dbraw/zinc/46/14/31/451461431.db2.gz WCMXTWRCVRSKLU-CQSZACIVSA-N 2 0 340.475 1.966 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000638375103 451472590 /nfs/dbraw/zinc/47/25/90/451472590.db2.gz DNUIWSYWBMMDLZ-DLBZAZTESA-N 2 0 330.476 1.237 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000638420830 451505041 /nfs/dbraw/zinc/50/50/41/451505041.db2.gz ZWLVQJWVFFLOPH-QGZVFWFLSA-N 2 0 347.459 1.644 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000638428754 451509814 /nfs/dbraw/zinc/50/98/14/451509814.db2.gz BCFUGUYDIPSRJB-RTBURBONSA-N 2 0 346.519 1.682 20 0 EDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638450553 451522068 /nfs/dbraw/zinc/52/20/68/451522068.db2.gz GLFNYCXVUKHLGZ-AWEZNQCLSA-N 2 0 331.526 1.558 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000634763918 451533927 /nfs/dbraw/zinc/53/39/27/451533927.db2.gz HCGJIQQSMXBFQI-ZIAGYGMSSA-N 2 0 334.468 1.101 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000638481145 451535547 /nfs/dbraw/zinc/53/55/47/451535547.db2.gz HQUODKDSXDMWPI-RTBURBONSA-N 2 0 346.519 1.634 20 0 EDADRP c1ccc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)c(C[NH+]2C[C@@H]3COC[C@@H]3C2)c1 ZINC000634780134 451542395 /nfs/dbraw/zinc/54/23/95/451542395.db2.gz UGBYUCGGUCTLRW-FGYAAKKASA-N 2 0 328.456 1.843 20 0 EDADRP CCN(CC[NH3+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638515235 451553650 /nfs/dbraw/zinc/55/36/50/451553650.db2.gz BWIUHNAUWKDZQH-IEBWSBKVSA-N 2 0 331.460 1.332 20 0 EDADRP CCOC1CC(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000638514052 451554093 /nfs/dbraw/zinc/55/40/93/451554093.db2.gz PJNSPPBIGOFYOH-UHFFFAOYSA-N 2 0 333.476 1.883 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccccc1OCCCCO ZINC000638530561 451561096 /nfs/dbraw/zinc/56/10/96/451561096.db2.gz VWJGOCAAUUFKAJ-QGZVFWFLSA-N 2 0 335.492 1.563 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)on1 ZINC000631067108 451565431 /nfs/dbraw/zinc/56/54/31/451565431.db2.gz STJJUPVCIFNADO-UHFFFAOYSA-N 2 0 330.436 1.465 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C(F)(F)F ZINC000638552228 451573101 /nfs/dbraw/zinc/57/31/01/451573101.db2.gz YBIZOSYXRGVFNM-HVUVFQHFSA-N 2 0 333.398 1.893 20 0 EDADRP C[NH2+]CCOCCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638577680 451585729 /nfs/dbraw/zinc/58/57/29/451585729.db2.gz CSOJJXSUHGRYLI-MRXNPFEDSA-N 2 0 337.439 1.390 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000638586596 451590561 /nfs/dbraw/zinc/59/05/61/451590561.db2.gz UREWUPMVBWVZJR-UHFFFAOYSA-N 2 0 332.448 1.298 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[N@H+](C)CCc2ccccc2)CCO1 ZINC000636233784 451608347 /nfs/dbraw/zinc/60/83/47/451608347.db2.gz ZTGWWYNMQRWMRJ-IBGZPJMESA-N 2 0 347.503 1.730 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000632898188 451638881 /nfs/dbraw/zinc/63/88/81/451638881.db2.gz QVWKMFCPVFQWKZ-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000632914314 451648323 /nfs/dbraw/zinc/64/83/23/451648323.db2.gz KNYUWDPUGOASQI-OWCLPIDISA-N 2 0 326.485 1.255 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCOc2ccc(Cl)cn2)CC1 ZINC000638742991 451672299 /nfs/dbraw/zinc/67/22/99/451672299.db2.gz JYFHNCRNCZXNBZ-UHFFFAOYSA-N 2 0 327.856 1.939 20 0 EDADRP C[C@H](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC[NH2+]CC1 ZINC000638780464 451688739 /nfs/dbraw/zinc/68/87/39/451688739.db2.gz QTOQKFYJSWUCKZ-CRAIPNDOSA-N 2 0 337.508 1.629 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000638803821 451695866 /nfs/dbraw/zinc/69/58/66/451695866.db2.gz PJRAHJFQXIPNOJ-JKSUJKDBSA-N 2 0 337.414 1.870 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000638805171 451696612 /nfs/dbraw/zinc/69/66/12/451696612.db2.gz YPEXZHAYGQMXNB-LMDPOFIKSA-N 2 0 345.487 1.911 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638850812 451709983 /nfs/dbraw/zinc/70/99/83/451709983.db2.gz JOXBYENLZWZMSG-NFBUACBFSA-N 2 0 343.471 1.107 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000638876456 451716063 /nfs/dbraw/zinc/71/60/63/451716063.db2.gz HTCCIJQRDUNPTM-HUUCEWRRSA-N 2 0 327.432 1.177 20 0 EDADRP [NH3+][C@H](CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000638876330 451716236 /nfs/dbraw/zinc/71/62/36/451716236.db2.gz FYQBJCQKCJYJRE-CTNGQTDRSA-N 2 0 337.467 1.994 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000638729960 451669053 /nfs/dbraw/zinc/66/90/53/451669053.db2.gz VBZVBYNNUXAEHF-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP O=C(Cn1cc(C[NH2+]C2CCCC2)nn1)NC1CC[NH+](C2CC2)CC1 ZINC000641002170 451726734 /nfs/dbraw/zinc/72/67/34/451726734.db2.gz BAIOIMPRULOUOJ-UHFFFAOYSA-N 2 0 346.479 1.053 20 0 EDADRP C[C@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983846 451745581 /nfs/dbraw/zinc/74/55/81/451745581.db2.gz HPIPFXFWIQHVQG-ZDUSSCGKSA-N 2 0 347.463 1.371 20 0 EDADRP CCc1c[nH]c(=O)c(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638986062 451746882 /nfs/dbraw/zinc/74/68/82/451746882.db2.gz SWXAAQIPDVDOQK-UHFFFAOYSA-N 2 0 327.388 1.407 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1COc2ccccc2C1 ZINC000638987224 451747116 /nfs/dbraw/zinc/74/71/16/451747116.db2.gz CNNDIYXOHCSWNP-OAHLLOKOSA-N 2 0 338.411 1.681 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000639018800 451752867 /nfs/dbraw/zinc/75/28/67/451752867.db2.gz WHTUWYNNBGLOEA-QZTJIDSGSA-N 2 0 332.492 1.244 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c2ccccc21 ZINC000639064141 451760528 /nfs/dbraw/zinc/76/05/28/451760528.db2.gz KWJQMPJPGQVMTJ-GOEBONIOSA-N 2 0 339.443 1.900 20 0 EDADRP CO[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)C1CCOCC1 ZINC000639169518 451783672 /nfs/dbraw/zinc/78/36/72/451783672.db2.gz DXUUBMVTYMLMSO-GOSISDBHSA-N 2 0 327.513 1.386 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc2c(cn1)OCCO2 ZINC000639171124 451784273 /nfs/dbraw/zinc/78/42/73/451784273.db2.gz RENFBCZCIXDYNT-QGZVFWFLSA-N 2 0 348.491 1.701 20 0 EDADRP CC[C@@H](C)[C@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)OC ZINC000639261341 451800327 /nfs/dbraw/zinc/80/03/27/451800327.db2.gz NDHYTKMHUMSWRI-SJORKVTESA-N 2 0 327.513 1.434 20 0 EDADRP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639316517 451822802 /nfs/dbraw/zinc/82/28/02/451822802.db2.gz JNIGXCOWJYILNF-SJLPKXTDSA-N 2 0 334.508 1.956 20 0 EDADRP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644530938 451843915 /nfs/dbraw/zinc/84/39/15/451843915.db2.gz RESYDLPTBPFHCK-PKOBYXMFSA-N 2 0 333.520 1.941 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000637471525 451889460 /nfs/dbraw/zinc/88/94/60/451889460.db2.gz VEJJJJDKYPUIMG-HLLBOEOZSA-N 2 0 338.496 1.100 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@]2(COC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000649278487 451949966 /nfs/dbraw/zinc/94/99/66/451949966.db2.gz HRGJSVZKIMRMOV-HKUYNNGSSA-N 2 0 333.476 1.737 20 0 EDADRP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)C1CC[NH+](C)CC1 ZINC000642724546 451938782 /nfs/dbraw/zinc/93/87/82/451938782.db2.gz VISODAYRUJESCA-CQSZACIVSA-N 2 0 338.496 1.001 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC000649293509 451968632 /nfs/dbraw/zinc/96/86/32/451968632.db2.gz WPVRIULIUKJSPC-DTDBQYNISA-N 2 0 347.507 1.268 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649295426 451970355 /nfs/dbraw/zinc/97/03/55/451970355.db2.gz ISQNSFLGTZPQRQ-LSDHHAIUSA-N 2 0 334.468 1.054 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649298822 451975273 /nfs/dbraw/zinc/97/52/73/451975273.db2.gz ANZQLRXOAQJZHD-HNNXBMFYSA-N 2 0 336.484 1.253 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649315881 451995168 /nfs/dbraw/zinc/99/51/68/451995168.db2.gz YVMLYRJUAVJZKC-ABFRBSLYSA-N 2 0 342.443 1.073 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649329701 452009900 /nfs/dbraw/zinc/00/99/00/452009900.db2.gz CPPXAGCQLRLCQH-BHIYHBOVSA-N 2 0 345.487 1.734 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000649328899 452010121 /nfs/dbraw/zinc/01/01/21/452010121.db2.gz QKWOIGAEHLIGDV-PXCRPINLSA-N 2 0 339.483 1.967 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000649329686 452010667 /nfs/dbraw/zinc/01/06/67/452010667.db2.gz BRUDYMXBLSBOLW-IKLKHMQRSA-N 2 0 327.472 1.963 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000649331945 452013655 /nfs/dbraw/zinc/01/36/55/452013655.db2.gz JJWGZNLFSBHMAM-UHFFFAOYSA-N 2 0 325.497 1.631 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000649332840 452014222 /nfs/dbraw/zinc/01/42/22/452014222.db2.gz LLELKKCTCCAKDA-ZFWWWQNUSA-N 2 0 325.403 1.868 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CCOC2)ccc1OCC[NH+]1CCCC1 ZINC000649336359 452015864 /nfs/dbraw/zinc/01/58/64/452015864.db2.gz PTEJOHWTIPXHBW-MRXNPFEDSA-N 2 0 347.459 1.644 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336686 452017361 /nfs/dbraw/zinc/01/73/61/452017361.db2.gz MPMZBYXFTGJDOJ-NJAFHUGGSA-N 2 0 331.460 1.249 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)n(C2CC[NH+](C)CC2)n1 ZINC000649339429 452019283 /nfs/dbraw/zinc/01/92/83/452019283.db2.gz YIIXEMYPMYUICK-ZDUSSCGKSA-N 2 0 341.406 1.642 20 0 EDADRP C[C@H]1CCN(C(=O)[C@@]2(N)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649344860 452025641 /nfs/dbraw/zinc/02/56/41/452025641.db2.gz VELVAPKQWDZLIA-QFBILLFUSA-N 2 0 330.476 1.142 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649344888 452027210 /nfs/dbraw/zinc/02/72/10/452027210.db2.gz WKMRVSMCGAVTPL-XLIONFOSSA-N 2 0 345.487 1.878 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649346801 452028903 /nfs/dbraw/zinc/02/89/03/452028903.db2.gz MINYNJOLZWCJNS-MRXNPFEDSA-N 2 0 348.495 1.300 20 0 EDADRP C[C@@H]1[C@H](NS(=O)(=O)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000641498778 452030320 /nfs/dbraw/zinc/03/03/20/452030320.db2.gz ZBAKGFCRIHRYRR-NVXWUHKLSA-N 2 0 348.472 1.466 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CC34CC[NH2+]CC4)ccc21 ZINC000647054971 452032453 /nfs/dbraw/zinc/03/24/53/452032453.db2.gz FRIIMBKAHBXBEI-KRWDZBQOSA-N 2 0 326.444 1.862 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCC(C)(C)[NH3+])CC1 ZINC000649350601 452033338 /nfs/dbraw/zinc/03/33/38/452033338.db2.gz ROGKALRAHQEMGH-UHFFFAOYSA-N 2 0 346.519 1.958 20 0 EDADRP O=C(CN1CCCN(c2cc[nH+]cc2)CC1)N1CCOC[C@@H]1C1CC1 ZINC000639704343 452043471 /nfs/dbraw/zinc/04/34/71/452043471.db2.gz RJHADWJLAXLZHQ-GOSISDBHSA-N 2 0 344.459 1.231 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1CCOC ZINC000649379305 452052587 /nfs/dbraw/zinc/05/25/87/452052587.db2.gz ZPIYGLCSKXXALE-KBPBESRZSA-N 2 0 333.423 1.191 20 0 EDADRP [NH3+]C1(CNC(=O)C[C@H]2CCOC2)CC[NH+](Cc2ccccc2)CC1 ZINC000647090639 452054894 /nfs/dbraw/zinc/05/48/94/452054894.db2.gz HANBLJKJPPRBRK-QGZVFWFLSA-N 2 0 331.460 1.523 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000637803079 452090347 /nfs/dbraw/zinc/09/03/47/452090347.db2.gz XPCZUCIVYCIARX-GBESFXJTSA-N 2 0 327.472 1.965 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000637807119 452092540 /nfs/dbraw/zinc/09/25/40/452092540.db2.gz RRKHGVIPXCPPJE-SFHVURJKSA-N 2 0 342.443 1.256 20 0 EDADRP CC[NH2+]CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637808898 452093589 /nfs/dbraw/zinc/09/35/89/452093589.db2.gz HUOHLAORQIQNOT-QUCCMNQESA-N 2 0 345.487 1.641 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)c1 ZINC000637808859 452094239 /nfs/dbraw/zinc/09/42/39/452094239.db2.gz HCSWXVVKJQTTQS-SFHVURJKSA-N 2 0 326.444 1.804 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]CCCN2CC[NH+](C)CC2)cn1 ZINC000647168995 452102967 /nfs/dbraw/zinc/10/29/67/452102967.db2.gz UWKMEZIGJNXWKL-UHFFFAOYSA-N 2 0 327.476 1.908 20 0 EDADRP [NH3+]C[C@@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000637854063 452116520 /nfs/dbraw/zinc/11/65/20/452116520.db2.gz CSGCPYCRPJNESG-QGZVFWFLSA-N 2 0 330.476 1.224 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000637860005 452119596 /nfs/dbraw/zinc/11/95/96/452119596.db2.gz JKBHDTGKONXKBF-ACJLOTCBSA-N 2 0 327.428 1.901 20 0 EDADRP Nc1nc(N2CCC(CC[NH+]3CCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645145140 452175727 /nfs/dbraw/zinc/17/57/27/452175727.db2.gz XAGKFPWZRASWCC-UHFFFAOYSA-N 2 0 345.491 1.876 20 0 EDADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486372 452230297 /nfs/dbraw/zinc/23/02/97/452230297.db2.gz IZDKQLYCNCOIAQ-DLBZAZTESA-N 2 0 343.471 1.697 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CCC[NH2+]1 ZINC000643474855 452240832 /nfs/dbraw/zinc/24/08/32/452240832.db2.gz FKAHCIKVXVJQLQ-RBSFLKMASA-N 2 0 329.452 1.071 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000647507496 452244564 /nfs/dbraw/zinc/24/45/64/452244564.db2.gz QYWAKBKVMZMHGY-JXFKEZNVSA-N 2 0 346.519 1.765 20 0 EDADRP O[C@@H]1[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC12CCOCC2 ZINC000657463937 452263981 /nfs/dbraw/zinc/26/39/81/452263981.db2.gz OLFXWCAVJHREJH-CRAIPNDOSA-N 2 0 342.443 1.925 20 0 EDADRP CCN(C(=O)NCC(C)(C)N1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663557988 452268523 /nfs/dbraw/zinc/26/85/23/452268523.db2.gz FLAJFJFEZZOSSM-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP O=C1c2ccccc2C(=O)N1[C@@H]1CCCC[C@@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000643516161 452280372 /nfs/dbraw/zinc/28/03/72/452280372.db2.gz VAVAYFZCJQJREB-HUUCEWRRSA-N 2 0 327.428 1.793 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC12CC(C1)C[NH2+]2 ZINC000659434348 452281774 /nfs/dbraw/zinc/28/17/74/452281774.db2.gz LSLJSSJSFCVRMG-UHFFFAOYSA-N 2 0 328.460 1.486 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000661508020 452314061 /nfs/dbraw/zinc/31/40/61/452314061.db2.gz MAOBCFYJKAPJJB-HUUCEWRRSA-N 2 0 340.512 1.346 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049004 452317617 /nfs/dbraw/zinc/31/76/17/452317617.db2.gz RKMHGXSKJQFMCG-MOPGFXCFSA-N 2 0 341.455 1.984 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665757335 452324080 /nfs/dbraw/zinc/32/40/80/452324080.db2.gz FZDFSMLAMHYQAT-IRXDYDNUSA-N 2 0 341.544 1.430 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145036 452337749 /nfs/dbraw/zinc/33/77/49/452337749.db2.gz ASEPSXTUAFBVLB-QAETUUGQSA-N 2 0 340.512 1.645 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000638057893 452345198 /nfs/dbraw/zinc/34/51/98/452345198.db2.gz DAURREITVGOSKX-LJQANCHMSA-N 2 0 344.503 1.533 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665763976 452348903 /nfs/dbraw/zinc/34/89/03/452348903.db2.gz QMBNOYIMOUDROH-IRXDYDNUSA-N 2 0 341.544 1.384 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638071513 452381982 /nfs/dbraw/zinc/38/19/82/452381982.db2.gz FZAQGTLMRNNCQV-SFHVURJKSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663644709 452387833 /nfs/dbraw/zinc/38/78/33/452387833.db2.gz ZSOXJXQTFXSYLC-RDJZCZTQSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@]1(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CCC[NH2+]C1 ZINC000652213659 452407180 /nfs/dbraw/zinc/40/71/80/452407180.db2.gz ZVULLWIMAYWTOO-CUSZFKRNSA-N 2 0 338.496 1.304 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000659558131 452414544 /nfs/dbraw/zinc/41/45/44/452414544.db2.gz XPQOJPGVBDUHSJ-RCCFBDPRSA-N 2 0 334.508 1.796 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1F ZINC000659566832 452422100 /nfs/dbraw/zinc/42/21/00/452422100.db2.gz OLUZFILDUOJNHX-IAGOWNOFSA-N 2 0 349.454 1.374 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652234837 452423664 /nfs/dbraw/zinc/42/36/64/452423664.db2.gz LXDCPKPBUARYBC-MRXNPFEDSA-N 2 0 334.464 1.726 20 0 EDADRP CC1([NH3+])CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659567456 452424066 /nfs/dbraw/zinc/42/40/66/452424066.db2.gz VIOWKLSPCXABBG-UHFFFAOYSA-N 2 0 345.491 1.816 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000659578541 452434140 /nfs/dbraw/zinc/43/41/40/452434140.db2.gz DKZNHKLWNYJWGX-NCXUSEDFSA-N 2 0 342.487 1.868 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@@H](C)C[NH2+]1 ZINC000659583249 452438373 /nfs/dbraw/zinc/43/83/73/452438373.db2.gz ZUSBKSSLRTWXRY-DLTLXFJOSA-N 2 0 334.439 1.663 20 0 EDADRP C[C@H](C(=O)N[C@H](CO)C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000647710557 452446635 /nfs/dbraw/zinc/44/66/35/452446635.db2.gz FKFJFIPPPWHXPX-APWZRJJASA-N 2 0 347.503 1.368 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000652268918 452456930 /nfs/dbraw/zinc/45/69/30/452456930.db2.gz PRWIJNYJCRSRBD-QGZVFWFLSA-N 2 0 334.439 1.958 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000659619722 452477576 /nfs/dbraw/zinc/47/75/76/452477576.db2.gz SGWHYHOEBJXQMV-PMPSAXMXSA-N 2 0 326.485 1.288 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652340982 452513104 /nfs/dbraw/zinc/51/31/04/452513104.db2.gz RNZXWFVEGGWSQE-CQSZACIVSA-N 2 0 337.489 1.688 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)C1 ZINC000652345518 452518853 /nfs/dbraw/zinc/51/88/53/452518853.db2.gz DEWNSJRXWDERDJ-INMHGKMJSA-N 2 0 342.443 1.413 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647798689 452532472 /nfs/dbraw/zinc/53/24/72/452532472.db2.gz VMWMPEMLFQDONF-YRGRVCCFSA-N 2 0 340.265 1.589 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655751166 452556704 /nfs/dbraw/zinc/55/67/04/452556704.db2.gz FVKHXRWNPWDUDA-KRWDZBQOSA-N 2 0 346.475 1.512 20 0 EDADRP CC1(C)C[C@H](O)CC[NH+](CC(O)C[N@H+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000650163615 452565531 /nfs/dbraw/zinc/56/55/31/452565531.db2.gz FHIVLZHSTFCWFG-HZPDHXFCSA-N 2 0 342.524 1.313 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645597098 452578767 /nfs/dbraw/zinc/57/87/67/452578767.db2.gz FIPHLKYNGWQSFN-MJGOQNOKSA-N 2 0 344.503 1.703 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H]([NH3+])C2CC2)CC1 ZINC000640293845 452589000 /nfs/dbraw/zinc/58/90/00/452589000.db2.gz BRNKVENAVGAUMB-SFHVURJKSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCn3nccc32)cc1 ZINC000657919901 452612742 /nfs/dbraw/zinc/61/27/42/452612742.db2.gz SCIQCVOEXCYCPA-KRWDZBQOSA-N 2 0 341.459 1.799 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(OC(C)(C)C)cc2)CC1 ZINC000666131022 452627011 /nfs/dbraw/zinc/62/70/11/452627011.db2.gz PQFFHIXWURWIAA-QGZVFWFLSA-N 2 0 335.492 1.562 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@H]3CCCCO3)CC2)CC1 ZINC000661871165 452641620 /nfs/dbraw/zinc/64/16/20/452641620.db2.gz QHQQTDNCSYOTJV-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902833 452644958 /nfs/dbraw/zinc/64/49/58/452644958.db2.gz COSPUYBFNOXTLT-IRXDYDNUSA-N 2 0 325.497 1.629 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655916063 452676125 /nfs/dbraw/zinc/67/61/25/452676125.db2.gz ZMDGRLPVKAFEJA-ZDUSSCGKSA-N 2 0 332.370 1.827 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000655921576 452684640 /nfs/dbraw/zinc/68/46/40/452684640.db2.gz PBEJDRLRGNOBIT-RTXFEEFZSA-N 2 0 334.386 1.534 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685219 452687686 /nfs/dbraw/zinc/68/76/86/452687686.db2.gz WCIMFXMUCHDVDX-DZGCQCFKSA-N 2 0 340.265 1.833 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966483 452710261 /nfs/dbraw/zinc/71/02/61/452710261.db2.gz VRHXDLMBFORUJT-FQEVSTJZSA-N 2 0 348.535 1.721 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953140 452715116 /nfs/dbraw/zinc/71/51/16/452715116.db2.gz MGJCHECHZGVHNL-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977901 452723730 /nfs/dbraw/zinc/72/37/30/452723730.db2.gz JOTUWOOEEHQRTI-MCIONIFRSA-N 2 0 333.484 1.292 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000647977431 452724365 /nfs/dbraw/zinc/72/43/65/452724365.db2.gz BFMHMLGXDUDEHV-HCXYKTFWSA-N 2 0 349.519 1.868 20 0 EDADRP O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648114932 452830907 /nfs/dbraw/zinc/83/09/07/452830907.db2.gz GFQJWOFPGQWNOI-IRXDYDNUSA-N 2 0 328.460 1.409 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119182 452835287 /nfs/dbraw/zinc/83/52/87/452835287.db2.gz XGBNFLFWLQJHTD-TZMCWYRMSA-N 2 0 334.489 1.612 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119192 452835796 /nfs/dbraw/zinc/83/57/96/452835796.db2.gz XUCNDPVHANLFBD-RRFJBIMHSA-N 2 0 348.516 1.989 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC[NH+](C)CC1 ZINC000664180824 452848807 /nfs/dbraw/zinc/84/88/07/452848807.db2.gz AYPJRVGCDZRYET-DOTOQJQBSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000664181814 452850432 /nfs/dbraw/zinc/85/04/32/452850432.db2.gz MIPWWTWXMDWMHC-IAGOWNOFSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000664181812 452850530 /nfs/dbraw/zinc/85/05/30/452850530.db2.gz MIPWWTWXMDWMHC-DLBZAZTESA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@H](C)C1 ZINC000654734435 452861756 /nfs/dbraw/zinc/86/17/56/452861756.db2.gz KWOGLZBEAHIERO-YYIAUSFCSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](c2nccn2C)C(C)(C)CO)CC[N@@H+]1C ZINC000664215410 452889724 /nfs/dbraw/zinc/88/97/24/452889724.db2.gz BMCCDXKYWWIKLB-RDBSUJKOSA-N 2 0 337.468 1.262 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000648178032 452890111 /nfs/dbraw/zinc/89/01/11/452890111.db2.gz LHVNVAGTKGRLCD-MSOLQXFVSA-N 3 0 344.503 1.471 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CCCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000648178146 452891060 /nfs/dbraw/zinc/89/10/60/452891060.db2.gz VFTCPVICQFNGRB-GOSISDBHSA-N 3 0 344.503 1.628 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000648190317 452900415 /nfs/dbraw/zinc/90/04/15/452900415.db2.gz QOOQZLVYZZMQSF-RBZYPMLTSA-N 2 0 328.254 1.865 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCc3cc(C)n[nH]3)CC2)CC1 ZINC000654788037 452922683 /nfs/dbraw/zinc/92/26/83/452922683.db2.gz NVIAUVIWMWDKFT-UHFFFAOYSA-N 2 0 333.480 1.531 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC000650706842 452945857 /nfs/dbraw/zinc/94/58/57/452945857.db2.gz UGFHQVSOLSAYRD-LMMKCTJWSA-N 2 0 341.459 1.986 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256923 452984707 /nfs/dbraw/zinc/98/47/07/452984707.db2.gz KCNVIXYWJZTUDI-AEFFLSMTSA-N 2 0 343.471 1.649 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])CC2)C1 ZINC000646002934 452997548 /nfs/dbraw/zinc/99/75/48/452997548.db2.gz KHCPEXBTOPYWPF-WHBLYCTDSA-N 2 0 348.535 1.378 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000662281529 453007022 /nfs/dbraw/zinc/00/70/22/453007022.db2.gz NCAXOVAXGYRIEZ-CABCVRRESA-N 2 0 336.484 1.189 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)sc2n1 ZINC000662297855 453018620 /nfs/dbraw/zinc/01/86/20/453018620.db2.gz SLQFDLBZXRZOFI-AWEZNQCLSA-N 2 0 347.488 1.671 20 0 EDADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660458 453045554 /nfs/dbraw/zinc/04/55/54/453045554.db2.gz NXUMYVIZFVPXRN-HZPDHXFCSA-N 2 0 338.496 1.101 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000656308226 453048055 /nfs/dbraw/zinc/04/80/55/453048055.db2.gz AJSMVNAYNRNSBD-SJORKVTESA-N 2 0 338.496 1.101 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nc1 ZINC000662338343 453054945 /nfs/dbraw/zinc/05/49/45/453054945.db2.gz QRENRPNTNQHQEH-INIZCTEOSA-N 2 0 340.475 1.902 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCC1 ZINC000666684515 453065207 /nfs/dbraw/zinc/06/52/07/453065207.db2.gz UGFREZUNTVWNSC-INIZCTEOSA-N 2 0 332.448 1.320 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662394782 453104778 /nfs/dbraw/zinc/10/47/78/453104778.db2.gz MWYOKMWYLCINNO-BXUZGUMPSA-N 2 0 331.338 1.353 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000654994835 453112359 /nfs/dbraw/zinc/11/23/59/453112359.db2.gz FOBFNTVBYOOTFC-UHFFFAOYSA-N 2 0 344.463 1.160 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662401814 453112645 /nfs/dbraw/zinc/11/26/45/453112645.db2.gz BNVMSPMCFZFRGI-KBPBESRZSA-N 2 0 333.480 1.727 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000654995182 453113133 /nfs/dbraw/zinc/11/31/33/453113133.db2.gz YJRSJUONAZKBCN-INIZCTEOSA-N 2 0 339.528 1.137 20 0 EDADRP C[N@H+](CCNC(=O)c1cnnn1C1CC[NH2+]CC1)C1CCCCC1 ZINC000662415722 453125702 /nfs/dbraw/zinc/12/57/02/453125702.db2.gz WLWUVDGGYZOBAC-UHFFFAOYSA-N 2 0 334.468 1.197 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666787340 453146763 /nfs/dbraw/zinc/14/67/63/453146763.db2.gz JBZFNDGRRWEIAC-INIZCTEOSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)N1CC[NH+](C)CC1 ZINC000662463845 453171890 /nfs/dbraw/zinc/17/18/90/453171890.db2.gz JQJMAJULBSNWSL-MAUKXSAKSA-N 2 0 344.503 1.431 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCc2ccnc(N3CCCC3)c2)C1 ZINC000660300258 453188855 /nfs/dbraw/zinc/18/88/55/453188855.db2.gz QITBMKBWIYIUFR-MRXNPFEDSA-N 2 0 331.464 1.965 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]C[C@@H]1CCOc2ccccc21)N1CC[NH2+]CC1 ZINC000666899055 453225483 /nfs/dbraw/zinc/22/54/83/453225483.db2.gz VMGUWNABBGFCEX-XJKSGUPXSA-N 2 0 343.393 1.978 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1ccnc(N2CCCCC2)c1 ZINC000660357926 453242826 /nfs/dbraw/zinc/24/28/26/453242826.db2.gz PCBCJRPGOBWKDO-UHFFFAOYSA-N 2 0 331.464 1.775 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc2c(c1)CCCO2 ZINC000648770624 453247948 /nfs/dbraw/zinc/24/79/48/453247948.db2.gz SXNOMSRTZAVSPL-UHFFFAOYSA-N 2 0 333.476 1.506 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)nc2)CC1 ZINC000646243942 453252491 /nfs/dbraw/zinc/25/24/91/453252491.db2.gz JPFHBKLWUMTYJZ-MRXNPFEDSA-N 2 0 331.464 1.549 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666973082 453287486 /nfs/dbraw/zinc/28/74/86/453287486.db2.gz OODJBXMJBMGJOI-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653119270 453307850 /nfs/dbraw/zinc/30/78/50/453307850.db2.gz DKJGONLMKGGKTL-KSSFIOAISA-N 2 0 333.432 1.192 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@@H](C)C1 ZINC000653120373 453311131 /nfs/dbraw/zinc/31/11/31/453311131.db2.gz PGSKTTCVHJEQEK-BBWFWOEESA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121468 453313609 /nfs/dbraw/zinc/31/36/09/453313609.db2.gz WANYHWRRQZGAPS-NXHRZFHOSA-N 2 0 332.492 1.292 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](N)CC[NH+](C)C)c(C)c2)CC1 ZINC000653123727 453317078 /nfs/dbraw/zinc/31/70/78/453317078.db2.gz FIHMATSBNHHRDG-QGZVFWFLSA-N 2 0 347.507 1.354 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613853 453331494 /nfs/dbraw/zinc/33/14/94/453331494.db2.gz JJIRIDKPVPPEOY-IEBWSBKVSA-N 2 0 337.508 1.901 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000651196673 453352243 /nfs/dbraw/zinc/35/22/43/453352243.db2.gz IRHYALMALBHBTD-MRXNPFEDSA-N 2 0 328.501 1.110 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653168462 453360178 /nfs/dbraw/zinc/36/01/78/453360178.db2.gz BLDNMXXFCNJUOO-SFHVURJKSA-N 2 0 347.507 1.426 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccn3cc(C)nc3c2)C1 ZINC000658782081 453389969 /nfs/dbraw/zinc/38/99/69/453389969.db2.gz FJNXEIGNYHXVPP-CQSZACIVSA-N 2 0 329.404 1.182 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667078573 453392087 /nfs/dbraw/zinc/39/20/87/453392087.db2.gz ZGJGDNSLYLFDOB-ZBFHGGJFSA-N 2 0 330.432 1.027 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000662675312 453392218 /nfs/dbraw/zinc/39/22/18/453392218.db2.gz KYOGDOHDMUEGTH-DTTOXWODSA-N 2 0 331.460 1.649 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662683347 453404887 /nfs/dbraw/zinc/40/48/87/453404887.db2.gz YDLCSFQMSOCIPY-MRXNPFEDSA-N 2 0 346.479 1.197 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000662690372 453409940 /nfs/dbraw/zinc/40/99/40/453409940.db2.gz ZWUUWPKAEJNPIO-BETUJISGSA-N 2 0 338.452 1.488 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662716145 453439180 /nfs/dbraw/zinc/43/91/80/453439180.db2.gz AIAHOJIWTNIIJY-KRWDZBQOSA-N 2 0 333.476 1.674 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662744874 453473219 /nfs/dbraw/zinc/47/32/19/453473219.db2.gz IZEAJVXQFJBLHU-HZPDHXFCSA-N 2 0 348.495 1.539 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)c2ccccc2O1 ZINC000662752993 453488812 /nfs/dbraw/zinc/48/88/12/453488812.db2.gz WGNADCJAEMJBTD-GFCCVEGCSA-N 2 0 344.415 1.838 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)[C@H](C)C1 ZINC000660677379 453506136 /nfs/dbraw/zinc/50/61/36/453506136.db2.gz YYCOHJFDYOVSSX-NVXWUHKLSA-N 2 0 340.512 1.326 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445288 453531777 /nfs/dbraw/zinc/53/17/77/453531777.db2.gz PHUXHYUIYCIQCS-NVXWUHKLSA-N 2 0 337.533 1.854 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662804258 453539733 /nfs/dbraw/zinc/53/97/33/453539733.db2.gz PDZKZPPVLNPKQI-OWLYRPNTSA-N 2 0 331.460 1.377 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)on1 ZINC000662805320 453540424 /nfs/dbraw/zinc/54/04/24/453540424.db2.gz KOSPHVWKDZCQSO-JSGCOSHPSA-N 2 0 332.448 1.957 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832119 453558108 /nfs/dbraw/zinc/55/81/08/453558108.db2.gz FDJOLBCIRPQHFN-HQSKLWIPSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000667326974 453558404 /nfs/dbraw/zinc/55/84/04/453558404.db2.gz FOPVIWBGOUKXPI-SFHVURJKSA-N 2 0 328.460 1.822 20 0 EDADRP O=C(c1cccc2c1C[NH2+]C2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833685 453560773 /nfs/dbraw/zinc/56/07/73/453560773.db2.gz VDQYPCRLWVARQU-MRXNPFEDSA-N 2 0 329.444 1.617 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662859798 453575148 /nfs/dbraw/zinc/57/51/48/453575148.db2.gz OSLNPAFACWVPLH-KRWDZBQOSA-N 2 0 333.476 1.635 20 0 EDADRP C[C@@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCC[NH2+]C1 ZINC000662860701 453576601 /nfs/dbraw/zinc/57/66/01/453576601.db2.gz UIAIKOBOVAJIBS-IEBWSBKVSA-N 2 0 331.460 1.259 20 0 EDADRP C[NH+]1CCC(CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659031760 453589076 /nfs/dbraw/zinc/58/90/76/453589076.db2.gz BULPEBVTGGVPGL-KRWDZBQOSA-N 2 0 332.448 1.811 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000659035425 453591813 /nfs/dbraw/zinc/59/18/13/453591813.db2.gz KJONJWXVOOMJDI-QZTJIDSGSA-N 2 0 342.443 1.826 20 0 EDADRP CN(C(=O)c1ccc(C[NH3+])cc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900530 453593875 /nfs/dbraw/zinc/59/38/75/453593875.db2.gz MZZRIETUGYEHDU-SFHVURJKSA-N 2 0 330.476 1.386 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659095553 453628344 /nfs/dbraw/zinc/62/83/44/453628344.db2.gz DQRKUWWQTPOMBM-OAHLLOKOSA-N 2 0 332.448 1.334 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000662972743 453631051 /nfs/dbraw/zinc/63/10/51/453631051.db2.gz LDSKKRCKCYTHCH-IAGOWNOFSA-N 2 0 337.439 1.437 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973260 453631529 /nfs/dbraw/zinc/63/15/29/453631529.db2.gz XNELQNYXSHLFBL-APWZRJJASA-N 2 0 337.508 1.757 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283223 453634601 /nfs/dbraw/zinc/63/46/01/453634601.db2.gz JKNUOVWPTJJESJ-AQNXPRMDSA-N 2 0 330.520 1.910 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N[C@H]1CCn2ccnc2C1 ZINC000661043687 453692782 /nfs/dbraw/zinc/69/27/82/453692782.db2.gz DLCXNNDRIUOOCW-IRXDYDNUSA-N 2 0 339.443 1.772 20 0 EDADRP C[C@H](CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000665462308 453701420 /nfs/dbraw/zinc/70/14/20/453701420.db2.gz JJHZYFRQANFNIA-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349366 453724652 /nfs/dbraw/zinc/72/46/52/453724652.db2.gz FMDZTBWEWQLKTC-HVOFVXBASA-N 2 0 337.414 1.915 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000661209390 453760170 /nfs/dbraw/zinc/76/01/70/453760170.db2.gz HKRVHANWEUHXIV-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)CC1 ZINC000657318695 453764942 /nfs/dbraw/zinc/76/49/42/453764942.db2.gz SYHKLGSKZAGPAW-UHFFFAOYSA-N 2 0 339.487 1.867 20 0 EDADRP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657349451 453771492 /nfs/dbraw/zinc/77/14/92/453771492.db2.gz HHPKGCDOABHOHD-UHFFFAOYSA-N 2 0 333.402 1.556 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cnc3c(C)cccn23)CC1 ZINC000663504588 453811884 /nfs/dbraw/zinc/81/18/84/453811884.db2.gz YMJVFIRXOQLPFC-UHFFFAOYSA-N 2 0 343.475 1.723 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)CC(C)C ZINC000676245476 486704835 /nfs/dbraw/zinc/70/48/35/486704835.db2.gz MODFKYYJGUAPBA-YESZJQIVSA-N 2 0 342.528 1.761 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000680471048 486783682 /nfs/dbraw/zinc/78/36/82/486783682.db2.gz SVUXRVFKTGLFCW-CQSZACIVSA-N 2 0 331.526 1.368 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416816401 486786613 /nfs/dbraw/zinc/78/66/13/486786613.db2.gz JAQDBRSGJJHPSU-CQSZACIVSA-N 2 0 338.452 1.167 20 0 EDADRP C[NH+](C)CCCCC(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000676538001 486798762 /nfs/dbraw/zinc/79/87/62/486798762.db2.gz IOOWLCGWKFJMFL-MRXNPFEDSA-N 2 0 333.480 1.892 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(COC)c1 ZINC000680927819 486896416 /nfs/dbraw/zinc/89/64/16/486896416.db2.gz RDBMRLITPICMEC-SFHVURJKSA-N 2 0 348.491 1.716 20 0 EDADRP C[C@H](CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)C[NH+]1CCCCC1 ZINC000667793714 486968002 /nfs/dbraw/zinc/96/80/02/486968002.db2.gz KOOBQFSRCYDXPS-CQSZACIVSA-N 2 0 331.464 1.971 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)c1 ZINC000667832884 486985546 /nfs/dbraw/zinc/98/55/46/486985546.db2.gz HNFQRSMLCOANLW-QZTJIDSGSA-N 2 0 331.460 1.635 20 0 EDADRP CCOc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)co1 ZINC000681252510 486991525 /nfs/dbraw/zinc/99/15/25/486991525.db2.gz AZZJYBHXFCZOLM-AWEZNQCLSA-N 2 0 338.452 1.561 20 0 EDADRP CN(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000677242014 487019128 /nfs/dbraw/zinc/01/91/28/487019128.db2.gz WDERPLGREBPQAS-NVXWUHKLSA-N 2 0 337.489 1.799 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCCN1Cc1ccccn1 ZINC000673640512 487074745 /nfs/dbraw/zinc/07/47/45/487074745.db2.gz ICGXLAGPIUCTAZ-KBAYOESNSA-N 2 0 328.460 1.789 20 0 EDADRP CC[NH+]1CCN(c2ncc(C3CC3)c(N3CC[NH+](CC)CC3)n2)CC1 ZINC000677954211 487211841 /nfs/dbraw/zinc/21/18/41/487211841.db2.gz NVMJMIFBCVKKSG-UHFFFAOYSA-N 2 0 344.507 1.638 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1)[NH+](C)C ZINC000674288964 487228625 /nfs/dbraw/zinc/22/86/25/487228625.db2.gz SHMULUCSTYTEHM-INIZCTEOSA-N 2 0 348.491 1.226 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682282938 487336916 /nfs/dbraw/zinc/33/69/16/487336916.db2.gz VPBYZLFXZNGODR-UHFFFAOYSA-N 2 0 344.419 1.006 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675781792 487443693 /nfs/dbraw/zinc/44/36/93/487443693.db2.gz AVTABGARZJHCKB-MRXNPFEDSA-N 2 0 348.491 1.052 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000683136672 487453342 /nfs/dbraw/zinc/45/33/42/487453342.db2.gz BAMUGJWRLSLRDT-UYAOXDASSA-N 2 0 345.487 1.422 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519562 485485578 /nfs/dbraw/zinc/48/55/78/485485578.db2.gz IGBFEVXMPJIDPQ-ZTTBQOKTSA-N 2 0 349.519 1.757 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)[C@H]1c1ccccc1 ZINC000669545867 485536767 /nfs/dbraw/zinc/53/67/67/485536767.db2.gz IDKHDBVDROZYDF-LEUOFYLZSA-N 2 0 328.460 1.825 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000669550905 485544211 /nfs/dbraw/zinc/54/42/11/485544211.db2.gz BLXIFOQLKAIQHI-MRXNPFEDSA-N 2 0 331.464 1.739 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669550978 485545288 /nfs/dbraw/zinc/54/52/88/485545288.db2.gz ZHYXQEZTMOPRED-FUHWJXTLSA-N 2 0 343.475 1.691 20 0 EDADRP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669554895 485554327 /nfs/dbraw/zinc/55/43/27/485554327.db2.gz UOBTVUITLIMNMJ-NVXWUHKLSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669554894 485554736 /nfs/dbraw/zinc/55/47/36/485554736.db2.gz UOBTVUITLIMNMJ-DOTOQJQBSA-N 2 0 330.476 1.948 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1(C)C ZINC000669580310 485625247 /nfs/dbraw/zinc/62/52/47/485625247.db2.gz ZGTNPBJJLWIMJC-WKILWMFISA-N 2 0 339.528 1.077 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccn3C3CC[NH2+]CC3)CC[C@H]21 ZINC000325195523 485663781 /nfs/dbraw/zinc/66/37/81/485663781.db2.gz DSIHGYJSBFFLAK-NVXWUHKLSA-N 2 0 330.476 1.969 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000669115347 485690238 /nfs/dbraw/zinc/69/02/38/485690238.db2.gz QEDJXBTUXCRPQU-UHFFFAOYSA-N 2 0 330.476 1.937 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2C[NH2+]C2)C1 ZINC000669125118 485706241 /nfs/dbraw/zinc/70/62/41/485706241.db2.gz KTFYHHYKCKMACP-OAHLLOKOSA-N 2 0 330.476 1.937 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436823 485749450 /nfs/dbraw/zinc/74/94/50/485749450.db2.gz OYOGCNYNEGTJRD-RTBURBONSA-N 2 0 345.487 1.703 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000669198506 485800415 /nfs/dbraw/zinc/80/04/15/485800415.db2.gz DJGAIXDYSSYEHF-QAPCUYQASA-N 2 0 346.475 1.540 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000668518718 485836849 /nfs/dbraw/zinc/83/68/49/485836849.db2.gz LJDNNRJVDFZWFL-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1OC ZINC000668610813 485944491 /nfs/dbraw/zinc/94/44/91/485944491.db2.gz OUVGINKCMMGAAV-GEXIGZQTSA-N 2 0 336.436 1.121 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000668644796 485990258 /nfs/dbraw/zinc/99/02/58/485990258.db2.gz YJNQZLGVKIMSKT-NVXWUHKLSA-N 2 0 346.475 1.965 20 0 EDADRP COc1cccc(CN[C@@H]2CCCN(Cc3nccn3C)C2=O)c1F ZINC000669684421 486068536 /nfs/dbraw/zinc/06/85/36/486068536.db2.gz UYJXQCITOGCKIE-CQSZACIVSA-N 2 0 346.406 1.849 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669459254 486213532 /nfs/dbraw/zinc/21/35/32/486213532.db2.gz ZZLWYBPJCJEATM-MOPGFXCFSA-N 2 0 344.503 1.992 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000636498671 486303348 /nfs/dbraw/zinc/30/33/48/486303348.db2.gz YPJYASHHRZBESE-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000088577494 491196469 /nfs/dbraw/zinc/19/64/69/491196469.db2.gz ALMKNWSCUDFGOA-MRXNPFEDSA-N 2 0 334.464 1.837 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000080055552 491169880 /nfs/dbraw/zinc/16/98/80/491169880.db2.gz ATLLYXDWBGNGKA-GOSISDBHSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(C)(C)C[NH+](C)C ZINC000085389398 491189095 /nfs/dbraw/zinc/18/90/95/491189095.db2.gz QKIPQSVQOWHYQW-HNNXBMFYSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000181054213 533746567 /nfs/dbraw/zinc/74/65/67/533746567.db2.gz SGZKYWPCHRQUDJ-YJBOKZPZSA-N 2 0 336.480 1.119 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@](C)(O)C3)CC2)cc1 ZINC000178002944 533923601 /nfs/dbraw/zinc/92/36/01/533923601.db2.gz AOUVPTRMQXDUOT-HXUWFJFHSA-N 2 0 345.487 1.486 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000171645748 534098730 /nfs/dbraw/zinc/09/87/30/534098730.db2.gz WEVOVRUPKJYZSS-OAHLLOKOSA-N 2 0 345.491 1.828 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CC1 ZINC000154537310 528227893 /nfs/dbraw/zinc/22/78/93/528227893.db2.gz CAJMZVAEAJAHAE-DFNIBXOVSA-N 2 0 348.535 1.488 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000153544641 529056878 /nfs/dbraw/zinc/05/68/78/529056878.db2.gz VEGFOKQOJDSCJQ-KURKYZTESA-N 2 0 325.497 1.017 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)cc2)CC1 ZINC000153701295 529152992 /nfs/dbraw/zinc/15/29/92/529152992.db2.gz JYHJLZAUWUJVLV-IYBDPMFKSA-N 2 0 330.476 1.651 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246507695 535123853 /nfs/dbraw/zinc/12/38/53/535123853.db2.gz QHXGKCVQVJVUEK-CGTJXYLNSA-N 2 0 333.476 1.796 20 0 EDADRP CC(C)(CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCCCC1 ZINC000262760558 535145238 /nfs/dbraw/zinc/14/52/38/535145238.db2.gz LKDCFMGFKXRGPH-OAHLLOKOSA-N 2 0 333.480 1.802 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000236818453 535162204 /nfs/dbraw/zinc/16/22/04/535162204.db2.gz HHJVYTNTDRIXQY-UHFFFAOYSA-N 2 0 325.478 1.339 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000130240482 535329740 /nfs/dbraw/zinc/32/97/40/535329740.db2.gz MWSXNDQPXGAEQR-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](c2nc(C3([NH3+])CCCC3)no2)CC1=O ZINC000261835275 535556070 /nfs/dbraw/zinc/55/60/70/535556070.db2.gz RODILGDLQVHFQA-ZIAGYGMSSA-N 2 0 347.463 1.598 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261602531 535608259 /nfs/dbraw/zinc/60/82/59/535608259.db2.gz ACKYODLPYBEEAD-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339733740 535667769 /nfs/dbraw/zinc/66/77/69/535667769.db2.gz HMJRIGFOKVJHSM-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000347189793 535736918 /nfs/dbraw/zinc/73/69/18/535736918.db2.gz QLTJXANIPLWSAF-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000262716375 535758526 /nfs/dbraw/zinc/75/85/26/535758526.db2.gz VOPZPFWFTDDLDS-SFHVURJKSA-N 2 0 333.480 1.309 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cccc(O)c2)cc1 ZINC000076893808 535890011 /nfs/dbraw/zinc/89/00/11/535890011.db2.gz PVLLHIGOVOCPMM-UHFFFAOYSA-N 2 0 327.428 1.973 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000237187819 535914628 /nfs/dbraw/zinc/91/46/28/535914628.db2.gz SRVPALHFVQKYKX-GOSISDBHSA-N 2 0 341.455 1.813 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000236928012 535955372 /nfs/dbraw/zinc/95/53/72/535955372.db2.gz QDMUYRZCBPKJPD-YJBOKZPZSA-N 2 0 348.491 1.625 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271474486 536075720 /nfs/dbraw/zinc/07/57/20/536075720.db2.gz ZTMNLTDUKMDAAC-IBGZPJMESA-N 2 0 344.503 1.357 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000237260301 536454699 /nfs/dbraw/zinc/45/46/99/536454699.db2.gz OHXHEXGIWZEYKS-SFHVURJKSA-N 2 0 344.503 1.506 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1SC ZINC000347112677 536749751 /nfs/dbraw/zinc/74/97/51/536749751.db2.gz RNUKXXLWGYMIDL-CQSZACIVSA-N 2 0 337.489 1.704 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H](C)C[NH+](C)C)CCCC2)CC1 ZINC000352930752 536753754 /nfs/dbraw/zinc/75/37/54/536753754.db2.gz LRAICCYPOHZKFB-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]([NH3+])CC(F)F)CCCC2)CC1 ZINC000345802999 536754385 /nfs/dbraw/zinc/75/43/85/536754385.db2.gz MMIJHPXCTBOROG-ZDUSSCGKSA-N 2 0 333.423 1.509 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)c1 ZINC000237372303 537114570 /nfs/dbraw/zinc/11/45/70/537114570.db2.gz ULYZIPMZUZGRDO-QGZVFWFLSA-N 2 0 340.427 1.829 20 0 EDADRP Cc1cc(C(N)=O)ccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741077925 579396289 /nfs/dbraw/zinc/39/62/89/579396289.db2.gz BLCIPOGNQOWMKZ-UHFFFAOYSA-N 2 0 335.452 1.051 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768072 579490444 /nfs/dbraw/zinc/49/04/44/579490444.db2.gz SXHLSWULLVFDDA-OALUTQOASA-N 2 0 345.487 1.500 20 0 EDADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000728913854 578554223 /nfs/dbraw/zinc/55/42/23/578554223.db2.gz XWZASANVKLBSAY-ZIAGYGMSSA-N 2 0 342.443 1.059 20 0 EDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000729285961 578563293 /nfs/dbraw/zinc/56/32/93/578563293.db2.gz VHSOHQHYWALKDW-MRXNPFEDSA-N 2 0 331.460 1.728 20 0 EDADRP CC1CC[NH+](CCCNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467736 580031432 /nfs/dbraw/zinc/03/14/32/580031432.db2.gz JXEOLGRTVZAJIC-UHFFFAOYSA-N 2 0 326.554 1.914 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760479628 580031720 /nfs/dbraw/zinc/03/17/20/580031720.db2.gz ZVNGZKYUPRDCJU-INIZCTEOSA-N 2 0 342.553 1.245 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=S)NCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000760483643 580031829 /nfs/dbraw/zinc/03/18/29/580031829.db2.gz BZTYBEGOMXVOMO-GOEBONIOSA-N 2 0 326.554 1.865 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734277309 578804495 /nfs/dbraw/zinc/80/44/95/578804495.db2.gz UBVVRKALJBQYLE-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000745823537 579564434 /nfs/dbraw/zinc/56/44/34/579564434.db2.gz CMAUGZRYWIHBGK-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000745822578 579564442 /nfs/dbraw/zinc/56/44/42/579564442.db2.gz AVKAQDDETXPSNE-QZTJIDSGSA-N 2 0 348.491 1.286 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C3([NH+](C)C)CCC3)nc2)C1 ZINC000746294774 579585331 /nfs/dbraw/zinc/58/53/31/579585331.db2.gz VQIXWQDAHOJYRY-OAHLLOKOSA-N 2 0 331.464 1.645 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000772878515 580322380 /nfs/dbraw/zinc/32/23/80/580322380.db2.gz MFTFYAWLJVXLLC-KBPBESRZSA-N 2 0 348.434 1.790 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775372679 580389510 /nfs/dbraw/zinc/38/95/10/580389510.db2.gz GASZUYIGHSEWNY-PMPSAXMXSA-N 2 0 329.579 1.983 20 0 EDADRP C[C@@H](NC(=S)NCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778533034 580467061 /nfs/dbraw/zinc/46/70/61/580467061.db2.gz XWAHQIFLSZXRQG-WBVHZDCISA-N 2 0 334.533 1.923 20 0 EDADRP O=C1O[C@@]2(CN1CN1CCC[C@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000790375961 580767888 /nfs/dbraw/zinc/76/78/88/580767888.db2.gz TXLLVNBALQXQHQ-XJKSGUPXSA-N 2 0 345.390 1.564 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=S)NC2CC[NH+](C)CC2)CC1 ZINC000795034402 580910895 /nfs/dbraw/zinc/91/08/95/580910895.db2.gz MEFUZCREUQQODN-UHFFFAOYSA-N 2 0 349.504 1.181 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000801115721 581066083 /nfs/dbraw/zinc/06/60/83/581066083.db2.gz CDFUPNDQKWJFRX-GOSISDBHSA-N 2 0 337.508 1.823 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000891816094 590634545 /nfs/dbraw/zinc/63/45/45/590634545.db2.gz MJYPJXZUVIEHFW-INIZCTEOSA-N 2 0 348.491 1.768 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891857439 590658161 /nfs/dbraw/zinc/65/81/61/590658161.db2.gz BEJTURQXGPHLOL-TZMCWYRMSA-N 2 0 330.423 1.547 20 0 EDADRP CC[C@@H](CO)Nc1cc(N2CCC(C[NH+]3CCCC3)CC2)ncn1 ZINC000891871723 590664503 /nfs/dbraw/zinc/66/45/03/590664503.db2.gz BTXKYGVCGMXYAR-INIZCTEOSA-N 2 0 333.480 1.972 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891893512 590676276 /nfs/dbraw/zinc/67/62/76/590676276.db2.gz WKNOMJQNFSPTHG-RTBURBONSA-N 2 0 342.487 1.780 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC1CC[NH+](C3CCC3)CC1)C2 ZINC000891942309 590698344 /nfs/dbraw/zinc/69/83/44/590698344.db2.gz DHMSQHOEQFRVAO-UHFFFAOYSA-N 2 0 349.504 1.686 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000891981596 590724899 /nfs/dbraw/zinc/72/48/99/590724899.db2.gz MKIBTPDDBRJOOT-RDJZCZTQSA-N 2 0 340.512 1.374 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000892037566 590764495 /nfs/dbraw/zinc/76/44/95/590764495.db2.gz GBGLNHUGHXUNGK-INIZCTEOSA-N 2 0 328.501 1.360 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000892156348 590828548 /nfs/dbraw/zinc/82/85/48/590828548.db2.gz NKSNKHLBGDJKQO-HNNXBMFYSA-N 2 0 346.466 1.993 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892290618 590918491 /nfs/dbraw/zinc/91/84/91/590918491.db2.gz IOCSVVNWMGNMQS-DOTOQJQBSA-N 2 0 340.512 1.681 20 0 EDADRP CN1CCN(C(=O)NCCCCCCC[NH+](C)C)CC[N@H+](C)CC1 ZINC000892341056 590970083 /nfs/dbraw/zinc/97/00/83/590970083.db2.gz QPKLIZXXJXCGJJ-UHFFFAOYSA-N 2 0 341.544 1.387 20 0 EDADRP [NH3+]CCN(CCO)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000892350781 590978929 /nfs/dbraw/zinc/97/89/29/590978929.db2.gz AGRJHIJWIOXSHY-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000892376692 591000377 /nfs/dbraw/zinc/00/03/77/591000377.db2.gz CEHWIGREDKHANB-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)[NH2+]C1 ZINC000892378111 591000775 /nfs/dbraw/zinc/00/07/75/591000775.db2.gz QCBFJLJDHRKYGJ-DLBZAZTESA-N 2 0 330.476 1.778 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)Cc1ccccc1 ZINC000892407751 591014992 /nfs/dbraw/zinc/01/49/92/591014992.db2.gz DQYPYVQCVHSTME-MSOLQXFVSA-N 2 0 348.491 1.093 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491400 591048083 /nfs/dbraw/zinc/04/80/83/591048083.db2.gz JLZSPMXXJIATNQ-CVEARBPZSA-N 2 0 339.528 1.090 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000892496351 591049391 /nfs/dbraw/zinc/04/93/91/591049391.db2.gz XYUSBMOPCQKZHN-CVEARBPZSA-N 2 0 338.496 1.128 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC000891347861 591054010 /nfs/dbraw/zinc/05/40/10/591054010.db2.gz KYVFOWOZYFIUIA-BZSNNMDCSA-N 2 0 330.476 1.695 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891350309 591055029 /nfs/dbraw/zinc/05/50/29/591055029.db2.gz PLOBKPRGHFIKPF-MAUKXSAKSA-N 2 0 330.476 1.875 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1)C1CC1 ZINC000891482479 591087463 /nfs/dbraw/zinc/08/74/63/591087463.db2.gz LHUBXPPKOOAAAC-GOSISDBHSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000891535534 591111802 /nfs/dbraw/zinc/11/18/02/591111802.db2.gz UFTZPJIVZVGLLK-SJLPKXTDSA-N 2 0 332.492 1.943 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538412 591113193 /nfs/dbraw/zinc/11/31/93/591113193.db2.gz XXDZKCWNVZWWCH-CABCVRRESA-N 2 0 326.485 1.175 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891634152 591160174 /nfs/dbraw/zinc/16/01/74/591160174.db2.gz MRSQZCDXXUAIOU-FUHWJXTLSA-N 2 0 338.496 1.460 20 0 EDADRP CC[C@@H](CO)Nc1cc(N2CCN(CCOC(C)C)CC2)ncn1 ZINC000892764971 591166333 /nfs/dbraw/zinc/16/63/33/591166333.db2.gz QJVUZWYFDTVSFY-HNNXBMFYSA-N 2 0 337.468 1.206 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776057 591171487 /nfs/dbraw/zinc/17/14/87/591171487.db2.gz LXWCNLHDVPIKFU-HOTGVXAUSA-N 2 0 338.496 1.128 20 0 EDADRP COCCC1(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC[NH2+]CC1 ZINC000891663667 591175874 /nfs/dbraw/zinc/17/58/74/591175874.db2.gz CHWWHEPWRZGUPG-AWEZNQCLSA-N 2 0 328.501 1.421 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892808135 591187094 /nfs/dbraw/zinc/18/70/94/591187094.db2.gz KQMBNELGIPIOFY-GOSISDBHSA-N 2 0 330.476 1.873 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892810278 591189150 /nfs/dbraw/zinc/18/91/50/591189150.db2.gz JRHYZZNIAYOXBW-QZTJIDSGSA-N 2 0 328.460 1.581 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892867084 591208363 /nfs/dbraw/zinc/20/83/63/591208363.db2.gz VSUXXEGODKKRHQ-UHFFFAOYSA-N 3 0 332.492 1.409 20 0 EDADRP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@H]1C)[NH+]1CCN(C)CC1 ZINC000891753106 591211715 /nfs/dbraw/zinc/21/17/15/591211715.db2.gz RVGNQVVJMLXNHW-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP CO[C@@](C)(C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000895685986 591248843 /nfs/dbraw/zinc/24/88/43/591248843.db2.gz PEGXQUWVBNDDGF-MSOLQXFVSA-N 2 0 325.497 1.188 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cs1 ZINC000894262361 591254533 /nfs/dbraw/zinc/25/45/33/591254533.db2.gz ZPXXDRLQJOYOOT-AWEZNQCLSA-N 2 0 326.462 1.861 20 0 EDADRP CC(C)[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[NH+]1CCC(C)CC1 ZINC000895710795 591257869 /nfs/dbraw/zinc/25/78/69/591257869.db2.gz LCDUGEMDDFBGLJ-MSOLQXFVSA-N 2 0 337.508 1.580 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(F)cc1 ZINC000895797515 591275620 /nfs/dbraw/zinc/27/56/20/591275620.db2.gz ICESXLJROKPHMZ-SFHVURJKSA-N 2 0 349.450 1.655 20 0 EDADRP CN(C)S(=O)(=O)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000895811694 591278526 /nfs/dbraw/zinc/27/85/26/591278526.db2.gz XLJKXDYPHUTDRM-UHFFFAOYSA-N 2 0 338.477 1.064 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895813394 591279161 /nfs/dbraw/zinc/27/91/61/591279161.db2.gz JPTJKPOMOKTTRJ-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP CN1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC[N@H+](C)CC1 ZINC000896202065 591382651 /nfs/dbraw/zinc/38/26/51/591382651.db2.gz DQTCRAXTBIHUGG-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1 ZINC000896259426 591400966 /nfs/dbraw/zinc/40/09/66/591400966.db2.gz VJAAFFHXSNWDIS-SJLPKXTDSA-N 2 0 349.475 1.571 20 0 EDADRP COC(=O)[C@H]1[C@@H](C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)C1(F)F ZINC000894764520 591413581 /nfs/dbraw/zinc/41/35/81/591413581.db2.gz BALMCXVDEQFRLU-HUUCEWRRSA-N 2 0 345.434 1.000 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000898634088 591454882 /nfs/dbraw/zinc/45/48/82/591454882.db2.gz GVNXMSGJOOJWOW-MRXNPFEDSA-N 2 0 341.521 1.183 20 0 EDADRP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896539364 591502737 /nfs/dbraw/zinc/50/27/37/591502737.db2.gz NGYOBAHJJIUYSF-CRAIPNDOSA-N 2 0 332.492 1.155 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1C[NH+](C)CCN1C ZINC000896556731 591521785 /nfs/dbraw/zinc/52/17/85/591521785.db2.gz QJIVDPYZRBLYNE-XYJFISCASA-N 2 0 336.524 1.392 20 0 EDADRP COC(=O)[C@H]1[C@H](C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083892 591574720 /nfs/dbraw/zinc/57/47/20/591574720.db2.gz CJVYBYBWNPQBCK-FXUDXRNXSA-N 2 0 338.398 1.976 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000896932779 591688272 /nfs/dbraw/zinc/68/82/72/591688272.db2.gz IYPJTCZBNYTZKX-OALUTQOASA-N 2 0 345.487 1.642 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO)C1CC1 ZINC000895282025 591699405 /nfs/dbraw/zinc/69/94/05/591699405.db2.gz MHBCKIAQSNAFNC-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000899189437 591725645 /nfs/dbraw/zinc/72/56/45/591725645.db2.gz PAXCKIFSGJASBZ-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H]1c1ccccc1 ZINC000897240681 591783002 /nfs/dbraw/zinc/78/30/02/591783002.db2.gz NPZWDUBDZLECCY-SQNIBIBYSA-N 2 0 329.444 1.269 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000898121811 591789196 /nfs/dbraw/zinc/78/91/96/591789196.db2.gz VPBMRWGTXNULOJ-UHFFFAOYSA-N 2 0 345.487 1.715 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897316067 591836174 /nfs/dbraw/zinc/83/61/74/591836174.db2.gz RFFSJLXJGHGUQA-MRXNPFEDSA-N 2 0 345.487 1.734 20 0 EDADRP C[N@H+](CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)Cc1ccccc1 ZINC000900015750 591868377 /nfs/dbraw/zinc/86/83/77/591868377.db2.gz ZASITFGMZPZJSC-IBGZPJMESA-N 2 0 333.476 1.472 20 0 EDADRP C[N@H+](CCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000900106125 591909383 /nfs/dbraw/zinc/90/93/83/591909383.db2.gz CSYBWHPDSNLDQU-SFHVURJKSA-N 2 0 325.497 1.604 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900283160 591970635 /nfs/dbraw/zinc/97/06/35/591970635.db2.gz PXGQRTLGCOMKMH-SFHVURJKSA-N 2 0 327.513 1.660 20 0 EDADRP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347234 591977752 /nfs/dbraw/zinc/97/77/52/591977752.db2.gz HPIPPNXSBMEUGV-YOEHRIQHSA-N 2 0 330.476 1.353 20 0 EDADRP [NH2+]=C(NOCc1nncs1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000902323940 591978810 /nfs/dbraw/zinc/97/88/10/591978810.db2.gz INYCGVFULCENIB-CYBMUJFWSA-N 2 0 333.417 1.438 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000902363863 591986837 /nfs/dbraw/zinc/98/68/37/591986837.db2.gz NZQXYKFSFDUQOA-OALUTQOASA-N 2 0 331.504 1.773 20 0 EDADRP [NH3+]CCCC[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)c1ccc(F)cc1F ZINC000902390376 591990142 /nfs/dbraw/zinc/99/01/42/591990142.db2.gz LHDRQDJVFZCPDK-CJNGLKHVSA-N 2 0 339.390 1.377 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2ccnn2CC[NH+](C)C)([NH+](C)C)C1 ZINC000900320312 591990382 /nfs/dbraw/zinc/99/03/82/591990382.db2.gz DRNAOYSORFHICC-QAPCUYQASA-N 2 0 335.496 1.685 20 0 EDADRP CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351297 591992831 /nfs/dbraw/zinc/99/28/31/591992831.db2.gz YNCGXPCEJBBXMY-IEBWSBKVSA-N 2 0 331.460 1.719 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@]1(c2cnn(C)c2)CCCO1 ZINC000902461229 591999795 /nfs/dbraw/zinc/99/97/95/591999795.db2.gz MUDIRRVMQHMTDM-ACJLOTCBSA-N 2 0 329.448 1.939 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902500741 592002978 /nfs/dbraw/zinc/00/29/78/592002978.db2.gz HCOCLSKMEASXND-MFWIUYSUSA-N 2 0 345.443 1.126 20 0 EDADRP CN(c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1)S(C)(=O)=O ZINC000902515793 592008930 /nfs/dbraw/zinc/00/89/30/592008930.db2.gz XWEGMOKPEFNNPC-HRCADAONSA-N 2 0 337.489 1.560 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000900407140 592010267 /nfs/dbraw/zinc/01/02/67/592010267.db2.gz PIYOXVHYHOHLSK-LJQANCHMSA-N 2 0 337.508 1.558 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[C@]2(O)CCC[N@H+](C)C2)o1 ZINC000900418703 592013811 /nfs/dbraw/zinc/01/38/11/592013811.db2.gz RDUKQPUQIIEHOZ-GOSISDBHSA-N 2 0 337.464 1.325 20 0 EDADRP c1nc(N2CCC[C@@]23CC[NH2+]C3)cc(N2CCC[C@@]23CC[NH2+]C3)n1 ZINC000900451585 592021139 /nfs/dbraw/zinc/02/11/39/592021139.db2.gz WHANSSNTUUTRFZ-ROUUACIJSA-N 2 0 328.464 1.141 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000902927523 592085434 /nfs/dbraw/zinc/08/54/34/592085434.db2.gz HZZIFTSVOATSOJ-CRAIPNDOSA-N 2 0 345.491 1.961 20 0 EDADRP CO[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000903107233 592121025 /nfs/dbraw/zinc/12/10/25/592121025.db2.gz OTVXJRCGNWVBPW-CVEARBPZSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCO[C@@]23CCOC3)cc1 ZINC000903118570 592123454 /nfs/dbraw/zinc/12/34/54/592123454.db2.gz FJNKCFQPOWPJBA-IEBWSBKVSA-N 2 0 347.459 1.016 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000900905253 592167291 /nfs/dbraw/zinc/16/72/91/592167291.db2.gz ZGZAULWBJWZAAD-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP FC(F)(F)[C@H]1CC[C@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460134 592171507 /nfs/dbraw/zinc/17/15/07/592171507.db2.gz XVZOHTIVNNQBFQ-YIYPIFLZSA-N 2 0 334.382 1.797 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482439 592177010 /nfs/dbraw/zinc/17/70/10/592177010.db2.gz HWQXJFIULDXHIF-GJZGRUSLSA-N 2 0 331.416 1.015 20 0 EDADRP CCOC(=O)CN(C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1)c1ccccc1 ZINC000903500204 592180110 /nfs/dbraw/zinc/18/01/10/592180110.db2.gz VUNVYZSDGOWFDS-HZPDHXFCSA-N 2 0 347.459 1.499 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900978661 592184797 /nfs/dbraw/zinc/18/47/97/592184797.db2.gz KERSYTFRMKZVAC-FUHWJXTLSA-N 2 0 325.497 1.316 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496648 592187799 /nfs/dbraw/zinc/18/77/99/592187799.db2.gz WVAJXJBVSCKRQL-UMVBOHGHSA-N 2 0 332.448 1.290 20 0 EDADRP CC1CCC(NC(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CC1 ZINC000903511708 592191056 /nfs/dbraw/zinc/19/10/56/592191056.db2.gz WNEHOFCHZNVJAH-JVPGXQPFSA-N 2 0 348.535 1.582 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCOc2cccc(F)c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903522348 592196467 /nfs/dbraw/zinc/19/64/67/592196467.db2.gz MSBJOKZQNUUXMN-AEFFLSMTSA-N 2 0 335.423 1.441 20 0 EDADRP O=C1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](C(F)(F)F)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903527041 592196994 /nfs/dbraw/zinc/19/69/94/592196994.db2.gz QRHRLLQURFHTJY-CXTNEJHOSA-N 2 0 349.397 1.333 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000901025814 592203217 /nfs/dbraw/zinc/20/32/17/592203217.db2.gz KWTNKUQTZFPYTB-IMFGXOCKSA-N 2 0 345.487 1.612 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2C[C@@H](C[NH3+])Cc3cc(F)ccc32)CC1 ZINC000903567968 592223872 /nfs/dbraw/zinc/22/38/72/592223872.db2.gz HGGURFZAKFYOPM-CQSZACIVSA-N 2 0 348.466 1.364 20 0 EDADRP C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000903575400 592227039 /nfs/dbraw/zinc/22/70/39/592227039.db2.gz NCVIZAMQRUHRLW-HNNXBMFYSA-N 2 0 325.478 1.511 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000904391510 592243209 /nfs/dbraw/zinc/24/32/09/592243209.db2.gz HNGGQJRQHXRJJP-INIZCTEOSA-N 2 0 327.432 1.802 20 0 EDADRP NC(=O)c1ccc(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)cc1 ZINC000904456006 592264512 /nfs/dbraw/zinc/26/45/12/592264512.db2.gz CAJDVKVEFUEMNU-INIZCTEOSA-N 2 0 326.400 1.211 20 0 EDADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903721903 592282418 /nfs/dbraw/zinc/28/24/18/592282418.db2.gz GACSXBMPGFIQGV-ZMMAXQRCSA-N 2 0 337.508 1.772 20 0 EDADRP O=C(CC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903723628 592284115 /nfs/dbraw/zinc/28/41/15/592284115.db2.gz XDLMJPSZRRSWKN-HKUYNNGSSA-N 2 0 335.492 1.480 20 0 EDADRP NC(=O)c1ccc(C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903725442 592285279 /nfs/dbraw/zinc/28/52/79/592285279.db2.gz ZQNGFPKBBZMGRV-SFHVURJKSA-N 2 0 343.471 1.909 20 0 EDADRP CCN1C[C@H](C[N@H+](C)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731966 592288083 /nfs/dbraw/zinc/28/80/83/592288083.db2.gz BKQALJSWPZHXSS-FUHIMQAGSA-N 2 0 345.487 1.974 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906719738 592289001 /nfs/dbraw/zinc/28/90/01/592289001.db2.gz MLNFRFQZMIIRPG-GVDBMIGSSA-N 2 0 344.459 1.476 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747066 592293725 /nfs/dbraw/zinc/29/37/25/592293725.db2.gz OVHUFQILMKIRQJ-SLFFLAALSA-N 2 0 329.488 1.964 20 0 EDADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCCN(c2cccnn2)C1 ZINC000903740021 592302109 /nfs/dbraw/zinc/30/21/09/592302109.db2.gz RTFAIENABCZDGL-SJORKVTESA-N 2 0 345.491 1.536 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000906740339 592305637 /nfs/dbraw/zinc/30/56/37/592305637.db2.gz HVPBHZAWGGUIIT-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP COC(=O)CC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC000903755824 592313543 /nfs/dbraw/zinc/31/35/43/592313543.db2.gz MDDQCJRRYQQKHN-INIZCTEOSA-N 2 0 340.464 1.189 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@@H]2C1 ZINC000908096749 592314090 /nfs/dbraw/zinc/31/40/90/592314090.db2.gz LUUYXMGEPURLJH-IAGOWNOFSA-N 2 0 342.443 1.836 20 0 EDADRP C[N@@H+]1CCCC12CCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)CC2 ZINC000901305618 592322670 /nfs/dbraw/zinc/32/26/70/592322670.db2.gz RZHMPZYXAMUCMH-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP COc1ccc(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903877274 592357743 /nfs/dbraw/zinc/35/77/43/592357743.db2.gz LROWXRIZCJXHMT-INIZCTEOSA-N 2 0 346.475 1.995 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908188834 592367900 /nfs/dbraw/zinc/36/79/00/592367900.db2.gz DSUXJGCCEYGZFJ-LWSMDNFKSA-N 2 0 349.519 1.963 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903909598 592374793 /nfs/dbraw/zinc/37/47/93/592374793.db2.gz GGTPNDUQHSLZOL-DLBZAZTESA-N 2 0 332.496 1.366 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CNC[C@@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000903925283 592380016 /nfs/dbraw/zinc/38/00/16/592380016.db2.gz DHTWVPQJUYANAN-APWZRJJASA-N 2 0 329.492 1.738 20 0 EDADRP Cc1nn(C)c(C)c1C[C@H](C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903924934 592380066 /nfs/dbraw/zinc/38/00/66/592380066.db2.gz KSOGKEINILHFLT-BLLLJJGKSA-N 2 0 332.496 1.417 20 0 EDADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925137 592380165 /nfs/dbraw/zinc/38/01/65/592380165.db2.gz KSOGKEINILHFLT-WBMJQRKESA-N 2 0 332.496 1.417 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203441 592380405 /nfs/dbraw/zinc/38/04/05/592380405.db2.gz DBHGQNDSULAVHK-AEFFLSMTSA-N 2 0 337.439 1.391 20 0 EDADRP C[N@@H+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc2C1 ZINC000903928151 592381453 /nfs/dbraw/zinc/38/14/53/592381453.db2.gz WJJGYDDBXNOHGD-MRXNPFEDSA-N 2 0 326.448 1.655 20 0 EDADRP CCOc1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)nn1 ZINC000903933347 592385131 /nfs/dbraw/zinc/38/51/31/592385131.db2.gz PFGCZBSWTLBWKT-MQVJKMGUSA-N 2 0 331.464 1.528 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC[C@H]([NH3+])CC(F)F)cc1F ZINC000903932486 592385353 /nfs/dbraw/zinc/38/53/53/592385353.db2.gz CIIRZTYEIQYBHX-DYEKYZERSA-N 2 0 331.382 1.852 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CCOc3ccccc31)C2 ZINC000903978759 592400163 /nfs/dbraw/zinc/40/01/63/592400163.db2.gz LQQAGTQBUQURNS-GJRWTSMGSA-N 2 0 330.428 1.765 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3c(c1)OCCO3)C2 ZINC000903979134 592400321 /nfs/dbraw/zinc/40/03/21/592400321.db2.gz WKDWTHGNCKMSGC-IYOUNJFTSA-N 2 0 332.400 1.170 20 0 EDADRP C[C@](O)(C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C(F)F ZINC000905114118 592413557 /nfs/dbraw/zinc/41/35/57/592413557.db2.gz KIOWGLXEZVFRNQ-KRWDZBQOSA-N 2 0 328.403 1.749 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905154426 592424014 /nfs/dbraw/zinc/42/40/14/592424014.db2.gz OVDGUCKFQHXBFZ-ZWKOTPCHSA-N 2 0 328.497 1.237 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(CO)CCCC2)CCCO1 ZINC000905232329 592459184 /nfs/dbraw/zinc/45/91/84/592459184.db2.gz NKDDBDWUEWVKON-DLBZAZTESA-N 2 0 328.497 1.381 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000904282638 592468722 /nfs/dbraw/zinc/46/87/22/592468722.db2.gz UNYJQBXGIRHJRC-KRWDZBQOSA-N 2 0 345.491 1.948 20 0 EDADRP [NH3+]C1(CNC(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)CC1 ZINC000904320488 592476283 /nfs/dbraw/zinc/47/62/83/592476283.db2.gz JHNZVEHCUBLRAR-UHFFFAOYSA-N 2 0 334.489 1.891 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334838 592508772 /nfs/dbraw/zinc/50/87/72/592508772.db2.gz DCRSTMSPDDAEBH-HNNXBMFYSA-N 2 0 345.553 1.806 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000905504869 592546803 /nfs/dbraw/zinc/54/68/03/592546803.db2.gz ZMEVAMMKEDYPQF-LTFPLMDUSA-N 2 0 332.488 1.659 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000905533570 592554049 /nfs/dbraw/zinc/55/40/49/592554049.db2.gz JNJQVLBBUSTTAP-GPQLOAJWSA-N 2 0 326.481 1.276 20 0 EDADRP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C)[C@H]2C)cc1 ZINC000905541863 592557204 /nfs/dbraw/zinc/55/72/04/592557204.db2.gz RJVOCGGZUQSBRK-KVSKMBFKSA-N 2 0 334.460 1.630 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2c2cc(NC[C@@H](C)O)ncn2)cc1 ZINC000905653088 592597103 /nfs/dbraw/zinc/59/71/03/592597103.db2.gz JCATVXFYKHLCLB-CZUORRHYSA-N 2 0 343.431 1.429 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CCC1 ZINC000908936195 592672108 /nfs/dbraw/zinc/67/21/08/592672108.db2.gz KPMKRZCNXWZIDP-MJGOQNOKSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905931277 592687476 /nfs/dbraw/zinc/68/74/76/592687476.db2.gz KSCNGJDBZQBGRC-DOTOQJQBSA-N 2 0 328.497 1.067 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932698 592687674 /nfs/dbraw/zinc/68/76/74/592687674.db2.gz NXKJIQDBEUGERS-WSVYEEACSA-N 2 0 330.416 1.280 20 0 EDADRP O[C@@H](CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000909047964 592720332 /nfs/dbraw/zinc/72/03/32/592720332.db2.gz QAEDFBIEURDEJK-LJQANCHMSA-N 2 0 335.467 1.790 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000906220209 592761073 /nfs/dbraw/zinc/76/10/73/592761073.db2.gz YZRBIUNTZULEDZ-GOSISDBHSA-N 2 0 337.508 1.679 20 0 EDADRP C[C@H]1CN(Cc2cn(-c3ccn(C)n3)nn2)CCN1c1cc[nH+]cc1 ZINC000906323336 592795323 /nfs/dbraw/zinc/79/53/23/592795323.db2.gz ADEPHZKIGJDQLG-AWEZNQCLSA-N 2 0 338.419 1.107 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862342 592819524 /nfs/dbraw/zinc/81/95/24/592819524.db2.gz RAMRLMVDZQWPEL-QUCCMNQESA-N 2 0 345.487 1.472 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000907873691 592836958 /nfs/dbraw/zinc/83/69/58/592836958.db2.gz BMYBXDROVQMVMU-KLAILNCOSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000906582062 592857801 /nfs/dbraw/zinc/85/78/01/592857801.db2.gz MQBWGUMNYSVVNX-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000906645149 592865799 /nfs/dbraw/zinc/86/57/99/592865799.db2.gz QVAXOQIYBDWJIR-KRWDZBQOSA-N 2 0 340.427 1.503 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734281686 592959282 /nfs/dbraw/zinc/95/92/82/592959282.db2.gz BSYSZFNXTKQSSK-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000911220236 592961416 /nfs/dbraw/zinc/96/14/16/592961416.db2.gz UELGHTVBLPCXQU-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000911720903 592988181 /nfs/dbraw/zinc/98/81/81/592988181.db2.gz KDIVOWXFZORXKS-SDMNGIDPSA-N 2 0 331.460 1.980 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911743445 592994932 /nfs/dbraw/zinc/99/49/32/592994932.db2.gz CHWQWOVBQBTSGS-MFKMUULPSA-N 2 0 328.254 1.563 20 0 EDADRP CCCN(C(=O)c1cnc(CC2CC[NH2+]CC2)s1)[C@@H]1CC[NH2+]C1 ZINC000911769122 593001009 /nfs/dbraw/zinc/00/10/09/593001009.db2.gz UEWKFUZPVXEGIZ-CQSZACIVSA-N 2 0 336.505 1.899 20 0 EDADRP CC(C)(C)[C@@H]([NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030043 593049987 /nfs/dbraw/zinc/04/99/87/593049987.db2.gz UFOGUTPMGBJVBT-HNNXBMFYSA-N 2 0 325.497 1.901 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@]3(C)C[NH+]4CCC3CC4)ccn2)CC1 ZINC000912380821 593089423 /nfs/dbraw/zinc/08/94/23/593089423.db2.gz UTBKFODFWPULCR-LJQANCHMSA-N 2 0 343.475 1.048 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)CC[N@@H+]1C ZINC000866981958 593133527 /nfs/dbraw/zinc/13/35/27/593133527.db2.gz PJOHMKNQFQOLRU-JKHFOPOESA-N 2 0 348.535 1.486 20 0 EDADRP CC[C@@](C)(CC(=O)OC)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000839521604 593310394 /nfs/dbraw/zinc/31/03/94/593310394.db2.gz MKNPEOBFUHNVEN-KRWDZBQOSA-N 2 0 327.469 1.297 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCN(C(=O)OC)C2)CC[NH2+]CC1 ZINC000817903250 593647431 /nfs/dbraw/zinc/64/74/31/593647431.db2.gz LJVBKGFZNHSFTP-KBPBESRZSA-N 2 0 341.452 1.128 20 0 EDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@H]1COCC12OCCO2 ZINC000817935899 593650355 /nfs/dbraw/zinc/65/03/55/593650355.db2.gz OUJITZLZJHREAO-YYIAUSFCSA-N 2 0 338.492 1.912 20 0 EDADRP COC(OC)c1ccc(F)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000818186836 593679307 /nfs/dbraw/zinc/67/93/07/593679307.db2.gz OKZUKHIXLPXERI-AWEZNQCLSA-N 2 0 339.455 1.843 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC1 ZINC000818537440 593703901 /nfs/dbraw/zinc/70/39/01/593703901.db2.gz KGHOWASYOMNKSF-UHFFFAOYSA-N 2 0 331.416 1.663 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000818967369 593731029 /nfs/dbraw/zinc/73/10/29/593731029.db2.gz UKAMJBRGJOXEKH-MRXNPFEDSA-N 2 0 341.496 1.726 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2ccccc2F)CC1 ZINC000818980733 593732064 /nfs/dbraw/zinc/73/20/64/593732064.db2.gz JKEFOPIFUVSPKB-SFHVURJKSA-N 2 0 344.434 1.796 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000819058806 593736409 /nfs/dbraw/zinc/73/64/09/593736409.db2.gz QGERXILYESWFJL-WMLDXEAASA-N 2 0 325.884 1.847 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819058000 593736414 /nfs/dbraw/zinc/73/64/14/593736414.db2.gz BVQQDFXWPXNIMZ-KDOFPFPSSA-N 2 0 341.446 1.861 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)c(F)c1)CN1CC[NH+](C)CC1 ZINC000819058271 593736489 /nfs/dbraw/zinc/73/64/89/593736489.db2.gz HHVFOIGZBVOBNQ-CXAGYDPISA-N 2 0 327.419 1.471 20 0 EDADRP Cc1ccc(N2CCC[C@@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819112962 593739567 /nfs/dbraw/zinc/73/95/67/593739567.db2.gz KKTFRNBIHVFAJX-QUCCMNQESA-N 2 0 346.519 1.162 20 0 EDADRP O=C(/C=C/[C@@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000819202769 593744140 /nfs/dbraw/zinc/74/41/40/593744140.db2.gz OHFLTLCCAODZTB-WRFKIARRSA-N 2 0 344.459 1.445 20 0 EDADRP C[N@H+](CCCC[NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1CC1 ZINC000819363444 593751858 /nfs/dbraw/zinc/75/18/58/593751858.db2.gz WDHDFASGPSUEDN-KRWDZBQOSA-N 2 0 340.489 1.588 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000820273662 593805309 /nfs/dbraw/zinc/80/53/09/593805309.db2.gz YZORUHYHGDJJQY-IEBWSBKVSA-N 2 0 345.487 1.722 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000824200069 593954398 /nfs/dbraw/zinc/95/43/98/593954398.db2.gz AUAHTQGJYCECOD-RBUKOAKNSA-N 2 0 343.471 1.584 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000824414215 594006500 /nfs/dbraw/zinc/00/65/00/594006500.db2.gz XNRAWAKGRVZVBN-ZIAGYGMSSA-N 2 0 329.452 1.153 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C)CC1 ZINC000824568607 594040113 /nfs/dbraw/zinc/04/01/13/594040113.db2.gz AZKNGDIGUVZKHN-KGLIPLIRSA-N 2 0 329.452 1.153 20 0 EDADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824590305 594043749 /nfs/dbraw/zinc/04/37/49/594043749.db2.gz BGEFZWISKXLXHX-AWEZNQCLSA-N 2 0 343.479 1.543 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC000822897172 594118698 /nfs/dbraw/zinc/11/86/98/594118698.db2.gz BPWLATFKUIFAES-SFHVURJKSA-N 2 0 339.524 1.801 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1 ZINC000825576287 594202719 /nfs/dbraw/zinc/20/27/19/594202719.db2.gz DCYAAEYRPSIDFX-BBRMVZONSA-N 2 0 332.452 1.874 20 0 EDADRP COc1ccc(C[N@H+](C)CC2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826192901 594371255 /nfs/dbraw/zinc/37/12/55/594371255.db2.gz HJIZAXMVDJANLQ-UHFFFAOYSA-N 2 0 330.436 1.649 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)c2ccccc2)CC1 ZINC000828503856 594439085 /nfs/dbraw/zinc/43/90/85/594439085.db2.gz XJVCZDDBCVQVGH-ZWKOTPCHSA-N 2 0 330.476 1.219 20 0 EDADRP CC(C)(C)[NH2+]CCC(=O)NC1(C)CN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000829009160 594547866 /nfs/dbraw/zinc/54/78/66/594547866.db2.gz PAVMSOXZVHRHNR-UHFFFAOYSA-N 2 0 340.512 1.260 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC3=C(CCC(=O)N3)C2)cc1 ZINC000826781066 594574390 /nfs/dbraw/zinc/57/43/90/594574390.db2.gz UHHINPSNUSDQTO-UHFFFAOYSA-N 2 0 329.444 1.997 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000829227986 594584744 /nfs/dbraw/zinc/58/47/44/594584744.db2.gz IKZZODDLTHZVBY-UHFFFAOYSA-N 2 0 349.519 1.822 20 0 EDADRP [NH3+][C@@H](CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000826947107 594607739 /nfs/dbraw/zinc/60/77/39/594607739.db2.gz RWUIHJNPWGVEGV-IBGZPJMESA-N 2 0 344.503 1.438 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]([NH3+])C1CC1 ZINC000831411707 594625848 /nfs/dbraw/zinc/62/58/48/594625848.db2.gz FOBKLSRLMWCKKT-INIZCTEOSA-N 2 0 325.403 1.982 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@]2(F)CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000829581299 594644844 /nfs/dbraw/zinc/64/48/44/594644844.db2.gz ZDPHUXMXJLJLST-HNAYVOBHSA-N 2 0 349.450 1.704 20 0 EDADRP C[C@@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)[NH+](C)C ZINC000831586734 594685738 /nfs/dbraw/zinc/68/57/38/594685738.db2.gz QBSHLCMWAOJMSN-INIZCTEOSA-N 2 0 333.476 1.734 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)ncc2F)(N2CCOCC2)CC1 ZINC000840954243 594832350 /nfs/dbraw/zinc/83/23/50/594832350.db2.gz BAYCVGXFAZAZGB-UHFFFAOYSA-N 2 0 340.418 1.246 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000841004568 594837633 /nfs/dbraw/zinc/83/76/33/594837633.db2.gz LRBMPFHDAIIXSY-JXFKEZNVSA-N 2 0 345.487 1.629 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841018654 594840209 /nfs/dbraw/zinc/84/02/09/594840209.db2.gz ZQYVTKDFOFFYEG-INIZCTEOSA-N 2 0 331.464 1.702 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000841100399 594850951 /nfs/dbraw/zinc/85/09/51/594850951.db2.gz XOVMZKYBZQQRAD-HKUYNNGSSA-N 2 0 347.459 1.269 20 0 EDADRP Cc1ccc(NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c(N(C)C)n1 ZINC000841155001 594859946 /nfs/dbraw/zinc/85/99/46/594859946.db2.gz PTMJQGHIYLRTML-ZBFHGGJFSA-N 2 0 347.463 1.816 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847191 594964158 /nfs/dbraw/zinc/96/41/58/594964158.db2.gz SMHYWJJDYXAODU-CHWSQXEVSA-N 2 0 341.358 1.516 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841846756 594964162 /nfs/dbraw/zinc/96/41/62/594964162.db2.gz NBVVHARUYDMNID-DZKIICNBSA-N 2 0 345.443 1.922 20 0 EDADRP Cc1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c(N(C)C)n1 ZINC000836478722 594967769 /nfs/dbraw/zinc/96/77/69/594967769.db2.gz UMXNYWSOLRUFCH-AWEZNQCLSA-N 2 0 335.452 1.424 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N(CC[NH3+])CCc2ccccc2)cc1 ZINC000841926760 594983101 /nfs/dbraw/zinc/98/31/01/594983101.db2.gz DZSCLHGGCLCIKE-UHFFFAOYSA-N 2 0 340.471 1.901 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc(CCC3CC[NH2+]CC3)n2)CC1 ZINC000843221083 595042207 /nfs/dbraw/zinc/04/22/07/595042207.db2.gz CHRGECBMWLAEMD-UHFFFAOYSA-N 2 0 349.479 1.097 20 0 EDADRP CC(=O)Nc1ccc2c(CN3CCC[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000843348128 595082211 /nfs/dbraw/zinc/08/22/11/595082211.db2.gz YDOZXCWWLMOSQY-CYBMUJFWSA-N 2 0 329.400 1.922 20 0 EDADRP CON(C)C(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000843095157 595286531 /nfs/dbraw/zinc/28/65/31/595286531.db2.gz NCTBBRGMPGQOEH-QGZVFWFLSA-N 2 0 335.448 1.143 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844177414 595293640 /nfs/dbraw/zinc/29/36/40/595293640.db2.gz IQJQHUUCMWYBIR-RBUKOAKNSA-N 2 0 345.487 1.783 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844180072 595294158 /nfs/dbraw/zinc/29/41/58/595294158.db2.gz SKRMLJZAODLALY-INIZCTEOSA-N 2 0 346.475 1.900 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc(C[C@@H]2CSCC[NH2+]2)n1 ZINC000843187433 595301461 /nfs/dbraw/zinc/30/14/61/595301461.db2.gz PXOPKAPHKOVXFC-CYBMUJFWSA-N 2 0 348.472 1.925 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221072 595306305 /nfs/dbraw/zinc/30/63/05/595306305.db2.gz SENLJXMGZJKBKQ-SFHVURJKSA-N 2 0 346.475 1.536 20 0 EDADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000844221745 595306859 /nfs/dbraw/zinc/30/68/59/595306859.db2.gz JPWJPOCNUYQECI-KRWDZBQOSA-N 2 0 338.540 1.961 20 0 EDADRP CCN(CCOC)CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1=O ZINC000844685858 595372808 /nfs/dbraw/zinc/37/28/08/595372808.db2.gz GCPBMNPBTVTWNZ-OALUTQOASA-N 2 0 345.487 1.893 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(Cl)n3C)cn2)CC1 ZINC000848527632 595402870 /nfs/dbraw/zinc/40/28/70/595402870.db2.gz DEIUQLXZDNNATN-UHFFFAOYSA-N 2 0 348.882 1.900 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CC2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000848717883 595435406 /nfs/dbraw/zinc/43/54/06/595435406.db2.gz YVZKTFJMOXOXMQ-RYUDHWBXSA-N 2 0 343.415 1.408 20 0 EDADRP [NH2+]=C(NC[C@H](O)C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849059405 595476648 /nfs/dbraw/zinc/47/66/48/595476648.db2.gz SMDSZDWXEPBURJ-AWEZNQCLSA-N 2 0 344.381 1.688 20 0 EDADRP CN(C)C(=O)CCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849066065 595477157 /nfs/dbraw/zinc/47/71/57/595477157.db2.gz UFDIPOXTIJHRKN-UHFFFAOYSA-N 2 0 345.491 1.633 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849072912 595478407 /nfs/dbraw/zinc/47/84/07/595478407.db2.gz QLUOXADZAIRGBY-INIZCTEOSA-N 2 0 343.475 1.699 20 0 EDADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCCCC1 ZINC000849111509 595483656 /nfs/dbraw/zinc/48/36/56/595483656.db2.gz QORYKAIMQMWVLY-ZDUSSCGKSA-N 2 0 327.473 1.499 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849552937 595563612 /nfs/dbraw/zinc/56/36/12/595563612.db2.gz PGMFMPHXCJMFJT-SQNIBIBYSA-N 2 0 347.507 1.254 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000852855320 595577276 /nfs/dbraw/zinc/57/72/76/595577276.db2.gz IDIVLFUZEMIHMA-RDJZCZTQSA-N 2 0 346.431 1.052 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852857595 595579232 /nfs/dbraw/zinc/57/92/32/595579232.db2.gz YCAQWTHGRCHPIF-ZDUSSCGKSA-N 2 0 334.420 1.449 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)=NO1 ZINC000852858123 595579849 /nfs/dbraw/zinc/57/98/49/595579849.db2.gz QMOCUBBQCVNLRN-HNNXBMFYSA-N 2 0 334.395 1.010 20 0 EDADRP COc1cc(CNC(=O)C=C2CC[NH2+]CC2)ccc1OCC[NH+](C)C ZINC000852861107 595582248 /nfs/dbraw/zinc/58/22/48/595582248.db2.gz ORGJDEULRJRTQK-UHFFFAOYSA-N 2 0 347.459 1.562 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849585339 595582764 /nfs/dbraw/zinc/58/27/64/595582764.db2.gz LBWABUTWWLYMRY-ROUUACIJSA-N 2 0 347.507 1.400 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861742 595582916 /nfs/dbraw/zinc/58/29/16/595582916.db2.gz IIKAZBGLCZKIDS-CVEARBPZSA-N 2 0 330.432 1.118 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852887238 595599540 /nfs/dbraw/zinc/59/95/40/595599540.db2.gz JBTXODZMBCYRLE-INIZCTEOSA-N 2 0 345.447 1.259 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000852908449 595610154 /nfs/dbraw/zinc/61/01/54/595610154.db2.gz XQNYRKZZWZOJSB-RBUKOAKNSA-N 2 0 345.487 1.530 20 0 EDADRP Cc1nc(N[C@@H]2CC[NH+](C3CC3)C2)nc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000853231669 595714024 /nfs/dbraw/zinc/71/40/24/595714024.db2.gz LEPGCIAIJYCSPL-OKILXGFUSA-N 2 0 343.479 1.477 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000856255017 595936558 /nfs/dbraw/zinc/93/65/58/595936558.db2.gz GUQMLGFPRGVDID-LJQANCHMSA-N 2 0 345.487 1.462 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000861561465 596030005 /nfs/dbraw/zinc/03/00/05/596030005.db2.gz HDRUQMCOFOMSRN-QGZVFWFLSA-N 2 0 347.507 1.577 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)[C@@H](C)C1 ZINC000866521275 596239559 /nfs/dbraw/zinc/23/95/59/596239559.db2.gz HFJWHGQRHQITNI-WMLDXEAASA-N 2 0 344.459 1.558 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)CC1 ZINC000866704801 596301288 /nfs/dbraw/zinc/30/12/88/596301288.db2.gz YANLGXZLPJRPDO-UHFFFAOYSA-N 3 0 328.504 1.544 20 0 EDADRP CSc1ccccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711252 596304801 /nfs/dbraw/zinc/30/48/01/596304801.db2.gz GIBSQPVKZKVCGG-ZNMIVQPWSA-N 2 0 333.457 1.775 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870928432 596409366 /nfs/dbraw/zinc/40/93/66/596409366.db2.gz GKJDQNFZUQFHDV-FZMZJTMJSA-N 2 0 340.265 1.859 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870940452 596413419 /nfs/dbraw/zinc/41/34/19/596413419.db2.gz LEVOCPJUUTVOSW-JIMOISOXSA-N 2 0 326.238 1.563 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000870989982 596432137 /nfs/dbraw/zinc/43/21/37/596432137.db2.gz STNOCCCVCCHILM-QGZVFWFLSA-N 2 0 334.468 1.040 20 0 EDADRP C[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000863554550 596616553 /nfs/dbraw/zinc/61/65/53/596616553.db2.gz BUIIZDDRTLFQFB-OAGGEKHMSA-N 2 0 341.496 1.821 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000869778192 596630535 /nfs/dbraw/zinc/63/05/35/596630535.db2.gz AMLSBPHCOHRJEY-IRXDYDNUSA-N 2 0 333.476 1.641 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(C4=CC[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000863667010 596651120 /nfs/dbraw/zinc/65/11/20/596651120.db2.gz JXCZIUAHVCIDLL-HNNXBMFYSA-N 2 0 340.431 1.778 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000868015138 596655534 /nfs/dbraw/zinc/65/55/34/596655534.db2.gz NFYUOFYXNRGQFA-IINYFYTJSA-N 2 0 340.265 1.953 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000871760437 596687689 /nfs/dbraw/zinc/68/76/89/596687689.db2.gz LPPLBEOBBIPRKM-KRWDZBQOSA-N 2 0 334.464 1.981 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)c2)CC1 ZINC000868149081 596702782 /nfs/dbraw/zinc/70/27/82/596702782.db2.gz UAQMQGLSGOFAEL-GASCZTMLSA-N 2 0 331.464 1.687 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(N)ccc2F)C[C@H]1C[NH+](C)C ZINC000868163594 596706778 /nfs/dbraw/zinc/70/67/78/596706778.db2.gz NICOISOECHSGLT-CHWSQXEVSA-N 2 0 337.443 1.611 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cccnc3[nH]2)C[C@H]1C[NH+](C)C ZINC000870017233 596709684 /nfs/dbraw/zinc/70/96/84/596709684.db2.gz JQLHXRSLEWOYFF-HUUCEWRRSA-N 2 0 329.448 1.374 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)CC[C@@H]21 ZINC000868171768 596710062 /nfs/dbraw/zinc/71/00/62/596710062.db2.gz TUAXWZNWXBYEEM-NJAFHUGGSA-N 2 0 344.459 1.905 20 0 EDADRP Cc1cnccc1/C=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018060 596710325 /nfs/dbraw/zinc/71/03/25/596710325.db2.gz VGLXQDPTYOEGRP-XXCOWLKOSA-N 2 0 330.476 1.601 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(C3CC3)n2)C[C@H]1C[NH+](C)C ZINC000870021473 596712136 /nfs/dbraw/zinc/71/21/36/596712136.db2.gz FZLHOYKIEOCISO-HUUCEWRRSA-N 2 0 331.464 1.165 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3nsnc3c2)C[C@H]1C[NH+](C)C ZINC000870022502 596712421 /nfs/dbraw/zinc/71/24/21/596712421.db2.gz UJGHMMCHLGHULL-ZIAGYGMSSA-N 2 0 347.488 1.503 20 0 EDADRP CCO[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023311 596713164 /nfs/dbraw/zinc/71/31/64/596713164.db2.gz SDTXAIRZKRBVLW-QRVBRYPASA-N 2 0 347.503 1.962 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3=O)C[C@H]1C[NH+](C)C ZINC000870023505 596713728 /nfs/dbraw/zinc/71/37/28/596713728.db2.gz AQPSRRSEOIEKID-ZFHLEULCSA-N 2 0 349.519 1.580 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000870024543 596714500 /nfs/dbraw/zinc/71/45/00/596714500.db2.gz RKBKLXMWDGHJQL-HUUCEWRRSA-N 2 0 337.439 1.402 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+]1CCCC1 ZINC000868224192 596734036 /nfs/dbraw/zinc/73/40/36/596734036.db2.gz DGFBAXKFEUNELT-VBNZEHGJSA-N 2 0 330.432 1.040 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2c(F)c(F)nc(F)c2F)C[C@H]1C[NH+](C)C ZINC000866012824 596757970 /nfs/dbraw/zinc/75/79/70/596757970.db2.gz RKMQOSPFDJJVFG-NXEZZACHSA-N 2 0 334.361 1.814 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)NCCN1CCOCC1(C)C ZINC000868281956 596762394 /nfs/dbraw/zinc/76/23/94/596762394.db2.gz QPSFLMYKCSEZGC-QGZVFWFLSA-N 2 0 346.475 1.583 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868282171 596763182 /nfs/dbraw/zinc/76/31/82/596763182.db2.gz UBQCENNSCGVXAZ-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cn2ccnc12 ZINC000868287853 596767749 /nfs/dbraw/zinc/76/77/49/596767749.db2.gz MYTWLZLSQVKDBS-UHFFFAOYSA-N 2 0 327.388 1.064 20 0 EDADRP COc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000866041635 596769846 /nfs/dbraw/zinc/76/98/46/596769846.db2.gz XSIOHNLYGMMZSU-ZIAGYGMSSA-N 2 0 335.452 1.293 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)nc12 ZINC000868330993 596788989 /nfs/dbraw/zinc/78/89/89/596788989.db2.gz PMPWOQKPTJIZAS-RDJZCZTQSA-N 2 0 341.459 1.921 20 0 EDADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144797 596809890 /nfs/dbraw/zinc/80/98/90/596809890.db2.gz HTXULTPLJRKNAS-MSOLQXFVSA-N 2 0 338.492 1.663 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)CC1 ZINC000872145812 596810515 /nfs/dbraw/zinc/81/05/15/596810515.db2.gz ZLKAJJOZFZAUSS-JVNPIMRCSA-N 2 0 335.448 1.201 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@]2(C[NH3+])CCCOC2)n1 ZINC000872174157 596820683 /nfs/dbraw/zinc/82/06/83/596820683.db2.gz FVLJCPRMEHISHC-SFHVURJKSA-N 2 0 346.431 1.684 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000872254771 596855594 /nfs/dbraw/zinc/85/55/94/596855594.db2.gz CYISDNMDEUUCQY-SAWDODRTSA-N 2 0 349.381 1.845 20 0 EDADRP COc1cc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)ccc1OCC[NH+](C)C ZINC000872281802 596866304 /nfs/dbraw/zinc/86/63/04/596866304.db2.gz VYCSJAHTZPVWCR-VCBZYWHSSA-N 2 0 347.459 1.379 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000872281995 596866720 /nfs/dbraw/zinc/86/67/20/596866720.db2.gz YVUMWFAADOSQCZ-TWMKSMIVSA-N 2 0 325.497 1.900 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCCCC[C@@H]3[NH3+])ccn2)CC1 ZINC000872286232 596868365 /nfs/dbraw/zinc/86/83/65/596868365.db2.gz CHMWDWKANZQQKY-SJORKVTESA-N 2 0 345.491 1.357 20 0 EDADRP CC1(C)CC[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000872297224 596872277 /nfs/dbraw/zinc/87/22/77/596872277.db2.gz JKXLJVJEGVLCQP-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]3C[C@@H]32)C[C@H]1C[NH+](C)C ZINC000875737606 596967322 /nfs/dbraw/zinc/96/73/22/596967322.db2.gz KQDHWHHUNZERRI-ILOCAZANSA-N 2 0 336.524 1.803 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CN1C[C@H]2CCCCN2C1=O ZINC000872593022 596980334 /nfs/dbraw/zinc/98/03/34/596980334.db2.gz VBHIEPDZJRUWBL-VQHPVUNQSA-N 2 0 336.480 1.418 20 0 EDADRP C[C@@H](NC(=O)C[NH+]1CCCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000874264037 596991397 /nfs/dbraw/zinc/99/13/97/596991397.db2.gz PMGWHXYAWJVBRF-OAHLLOKOSA-N 2 0 348.466 1.851 20 0 EDADRP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc(-c2ccncn2)cn1 ZINC000872633802 597001546 /nfs/dbraw/zinc/00/15/46/597001546.db2.gz NKDAOTQEJBVOBW-UHFFFAOYSA-N 2 0 344.463 1.588 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]2(C)C[C@H]3C[C@H]3C2)C[C@H]1C[NH+](C)C ZINC000875874797 597020121 /nfs/dbraw/zinc/02/01/21/597020121.db2.gz HBTSZTIZXLIQJD-FSNPWBFUSA-N 2 0 336.524 1.803 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccns1 ZINC000875895467 597024599 /nfs/dbraw/zinc/02/45/99/597024599.db2.gz ZJHPOQFIVCWDAC-BFHYXJOUSA-N 2 0 339.509 1.585 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC000876202372 597131923 /nfs/dbraw/zinc/13/19/23/597131923.db2.gz MWYDADFQAMTUSV-FUHWJXTLSA-N 2 0 338.496 1.149 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000873111461 597199281 /nfs/dbraw/zinc/19/92/81/597199281.db2.gz ABGFLMCUXQIKIO-MAZHCROVSA-N 2 0 330.432 1.340 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988881 597233034 /nfs/dbraw/zinc/23/30/34/597233034.db2.gz GXSUJMWVEZFOPB-IRXDYDNUSA-N 2 0 348.491 1.434 20 0 EDADRP COc1ccc([C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000873235108 597234914 /nfs/dbraw/zinc/23/49/14/597234914.db2.gz JHOONSUBDXXTGS-QXAKKESOSA-N 2 0 347.503 1.923 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[NH+](C)C)c1 ZINC000876708916 597297140 /nfs/dbraw/zinc/29/71/40/597297140.db2.gz DRDGDURQZSGAEH-IHRRRGAJSA-N 2 0 327.375 1.254 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1c(C[NH3+])cnn1C)Cc1ccccc1 ZINC000876722471 597306080 /nfs/dbraw/zinc/30/60/80/597306080.db2.gz VWLLCGNQCGREOW-KRWDZBQOSA-N 2 0 343.475 1.562 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000876734951 597312938 /nfs/dbraw/zinc/31/29/38/597312938.db2.gz XEWAIZNAMMBQNF-CVEARBPZSA-N 2 0 333.480 1.576 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000876741297 597316485 /nfs/dbraw/zinc/31/64/85/597316485.db2.gz QENKBGHCRNLYLF-IRXDYDNUSA-N 2 0 347.507 1.966 20 0 EDADRP CC[N@H+](CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F)C(C)C ZINC000876750989 597321447 /nfs/dbraw/zinc/32/14/47/597321447.db2.gz ZLTKEKZCFSODKE-LLVKDONJSA-N 2 0 344.410 1.210 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H](N)c2cccc(Br)c2)C1 ZINC000876773456 597333769 /nfs/dbraw/zinc/33/37/69/597333769.db2.gz REZWHRRBBGRJHX-SMDDNHRTSA-N 2 0 340.265 1.907 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(O)c1 ZINC000875275455 597363918 /nfs/dbraw/zinc/36/39/18/597363918.db2.gz QWHMUOYJVZXCRP-USXIJHARSA-N 2 0 348.491 1.834 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876875888 597365736 /nfs/dbraw/zinc/36/57/36/597365736.db2.gz DIBPSXGWHHWEEV-ROUUACIJSA-N 2 0 335.467 1.957 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CCCO1 ZINC000876920223 597385741 /nfs/dbraw/zinc/38/57/41/597385741.db2.gz KNSZNMXNBBOXBT-STQMWFEESA-N 2 0 331.338 1.281 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@]2(C)CCCS2)C[C@H]1C[NH+](C)C ZINC000875371718 597404641 /nfs/dbraw/zinc/40/46/41/597404641.db2.gz JQDGRWVJRISBDR-INMHGKMJSA-N 2 0 342.553 1.653 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000877038211 597418647 /nfs/dbraw/zinc/41/86/47/597418647.db2.gz JZTPGKDOAHRVFZ-MSOLQXFVSA-N 2 0 343.471 1.393 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCCOC1 ZINC000875468849 597441851 /nfs/dbraw/zinc/44/18/51/597441851.db2.gz DIDMUIAEMUMVLF-MWDXBVQZSA-N 2 0 340.512 1.182 20 0 EDADRP Cc1cccc2c1C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)N2 ZINC000877144457 597442314 /nfs/dbraw/zinc/44/23/14/597442314.db2.gz NHFZAJYTPPESAJ-MDZRGWNJSA-N 2 0 344.503 1.529 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)c3c[nH]nc3[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000877191957 597457318 /nfs/dbraw/zinc/45/73/18/597457318.db2.gz FSCNAEDOBJNVOI-CQSZACIVSA-N 2 0 331.464 1.435 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245483 597477103 /nfs/dbraw/zinc/47/71/03/597477103.db2.gz DFIUDHTWFXHKMF-XMTFNYHQSA-N 2 0 330.476 1.093 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257029 597481643 /nfs/dbraw/zinc/48/16/43/597481643.db2.gz KASBXUYQTPVCSR-HNAYVOBHSA-N 2 0 347.507 1.953 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@@H]1C(F)(F)F ZINC000877371121 597503575 /nfs/dbraw/zinc/50/35/75/597503575.db2.gz LXOYOOKKJGWBIH-RDBSUJKOSA-N 2 0 327.350 1.297 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CCCNC(=O)OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000877669697 597546517 /nfs/dbraw/zinc/54/65/17/597546517.db2.gz VRFNOKAXTHOIOT-HZPDHXFCSA-N 2 0 342.528 1.572 20 0 EDADRP CCOC(=O)c1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]1 ZINC000877670747 597546554 /nfs/dbraw/zinc/54/65/54/597546554.db2.gz PBUQQGAUMUFXHZ-HUUCEWRRSA-N 2 0 336.480 1.363 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000877728724 597551596 /nfs/dbraw/zinc/55/15/96/597551596.db2.gz SPGGJGWRFXJCHY-INIZCTEOSA-N 2 0 326.481 1.397 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878272806 597591811 /nfs/dbraw/zinc/59/18/11/597591811.db2.gz NAQAEOCYPUNVAS-HZPDHXFCSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H](CCO)[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878339620 597596718 /nfs/dbraw/zinc/59/67/18/597596718.db2.gz DUXDCYDGVXGGLU-INIZCTEOSA-N 2 0 333.476 1.470 20 0 EDADRP CN(CCC[N@H+](C)C[C@H]1CCC2(CCOCC2)CO1)CC[NH+](C)C ZINC000878623659 597658668 /nfs/dbraw/zinc/65/86/68/597658668.db2.gz UBZBSMSINMIBQK-GOSISDBHSA-N 2 0 341.540 1.778 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccnn1C ZINC000879686718 597685829 /nfs/dbraw/zinc/68/58/29/597685829.db2.gz HVMKSEYYJIUWEH-RHSMWYFYSA-N 2 0 329.448 1.490 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883225383 597689294 /nfs/dbraw/zinc/68/92/94/597689294.db2.gz FZXRVTOPNHAQCV-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883423326 597741899 /nfs/dbraw/zinc/74/18/99/597741899.db2.gz IQVGPQHINSERBQ-WBVHZDCISA-N 2 0 331.464 1.786 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000883585792 597814171 /nfs/dbraw/zinc/81/41/71/597814171.db2.gz YCSTXQZXZAEILN-SZMVWBNQSA-N 2 0 341.459 1.549 20 0 EDADRP COc1ccc(C)nc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879204885 597848178 /nfs/dbraw/zinc/84/81/78/597848178.db2.gz RDWBOZNBWIWULE-HUUCEWRRSA-N 2 0 349.479 1.602 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000883652905 597848464 /nfs/dbraw/zinc/84/84/64/597848464.db2.gz GGPXZVKITNMXBY-HNNXBMFYSA-N 2 0 338.496 1.049 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000127636372 597874140 /nfs/dbraw/zinc/87/41/40/597874140.db2.gz AKTXFZJKTIYWGS-XJKSGUPXSA-N 2 0 331.416 1.534 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@H]2CC(C)(C)CO2)C[C@H]1C[NH+](C)C ZINC000881019675 598054271 /nfs/dbraw/zinc/05/42/71/598054271.db2.gz DGHYILXJFXMXQU-ZACQAIPSSA-N 2 0 339.524 1.780 20 0 EDADRP COc1ccc(CN2CCCN(C(=O)c3ncoc3CN)CC2)cc1 ZINC000884305676 598060358 /nfs/dbraw/zinc/06/03/58/598060358.db2.gz CUSUQVNYNGGION-UHFFFAOYSA-N 2 0 344.415 1.490 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c3c(nn2C)CCSC3)CC1 ZINC000882890374 598097073 /nfs/dbraw/zinc/09/70/73/598097073.db2.gz WHTUDILVUCUXSL-CQSZACIVSA-N 2 0 337.537 1.325 20 0 EDADRP COCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC001040740614 695106303 /nfs/dbraw/zinc/10/63/03/695106303.db2.gz LHJVAOJCVNFMQO-UHFFFAOYSA-N 2 0 349.519 1.823 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1)[NH+]1CCCCC1 ZINC000992691022 695207965 /nfs/dbraw/zinc/20/79/65/695207965.db2.gz MSRHSUWZMMEJBE-YESZJQIVSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C[NH+]1CCCC1 ZINC000914243415 695303080 /nfs/dbraw/zinc/30/30/80/695303080.db2.gz KXXAFJCQTOQGSI-PMPSAXMXSA-N 2 0 340.537 1.597 20 0 EDADRP Cc1nccn1CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914247644 695309426 /nfs/dbraw/zinc/30/94/26/695309426.db2.gz CEGQYBOUHCQZLA-CABCVRRESA-N 2 0 337.493 1.461 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992924782 695456514 /nfs/dbraw/zinc/45/65/14/695456514.db2.gz YUCDZUQSRLBDLV-GVDBMIGSSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000915136306 695748603 /nfs/dbraw/zinc/74/86/03/695748603.db2.gz OXSFWKQLZUVBOC-NVXWUHKLSA-N 2 0 338.496 1.269 20 0 EDADRP CN(CCC[NH+]1CCCC1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915195287 695759393 /nfs/dbraw/zinc/75/93/93/695759393.db2.gz RYQVHEYAPGKWDF-INIZCTEOSA-N 2 0 329.510 1.220 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001015654942 696030846 /nfs/dbraw/zinc/03/08/46/696030846.db2.gz JECYKNHJSHNYKI-DZGCQCFKSA-N 2 0 329.435 1.954 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000916117340 696623065 /nfs/dbraw/zinc/62/30/65/696623065.db2.gz LZWVHXRTORYKPS-HUUCEWRRSA-N 2 0 326.510 1.350 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000916360509 696655055 /nfs/dbraw/zinc/65/50/55/696655055.db2.gz HWVHMIYKRBZQGJ-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940008005 700109557 /nfs/dbraw/zinc/10/95/57/700109557.db2.gz DEKFLUMKXIEXSO-OAHLLOKOSA-N 2 0 348.495 1.424 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000940008636 700110747 /nfs/dbraw/zinc/11/07/47/700110747.db2.gz WMOSFCGBMFTWEI-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000917889660 697103510 /nfs/dbraw/zinc/10/35/10/697103510.db2.gz HFUWSJVFYNOPQT-BZUAXINKSA-N 2 0 340.537 1.740 20 0 EDADRP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)ccc1C ZINC001031585305 697281065 /nfs/dbraw/zinc/28/10/65/697281065.db2.gz VWYVNSDKCLLHKJ-QGZVFWFLSA-N 2 0 331.460 1.646 20 0 EDADRP C[C@H](CNC(=S)NC1CC[NH+](C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000920309008 697419515 /nfs/dbraw/zinc/41/95/15/697419515.db2.gz NAFRPJGNKTVRLO-OAHLLOKOSA-N 2 0 346.544 1.992 20 0 EDADRP CCc1nocc1CN1CC(CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668507 697460915 /nfs/dbraw/zinc/46/09/15/697460915.db2.gz HYVLMYXKRYNSNE-DOTOQJQBSA-N 2 0 346.475 1.659 20 0 EDADRP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cs1 ZINC001031688814 697527145 /nfs/dbraw/zinc/52/71/45/697527145.db2.gz LLLOBYWUTLXOPM-IRXDYDNUSA-N 2 0 349.500 1.468 20 0 EDADRP CC[C@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727379 697954131 /nfs/dbraw/zinc/95/41/31/697954131.db2.gz FPUPQLQHXXZVJP-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943513854 698426875 /nfs/dbraw/zinc/42/68/75/698426875.db2.gz ARRZVPYOAUTOGL-RDJZCZTQSA-N 2 0 335.496 1.541 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000940111733 700225951 /nfs/dbraw/zinc/22/59/51/700225951.db2.gz NYOGQJVDIBIDKY-HOCLYGCPSA-N 2 0 347.463 1.415 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCCCO2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764728 699049730 /nfs/dbraw/zinc/04/97/30/699049730.db2.gz MGWFWWITOOYMGP-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nccn1C ZINC000939128055 699206310 /nfs/dbraw/zinc/20/63/10/699206310.db2.gz HCKPDAXAOXGQFZ-HUUCEWRRSA-N 2 0 333.480 1.089 20 0 EDADRP COCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@@H]2C)cc1 ZINC000939213868 699363854 /nfs/dbraw/zinc/36/38/54/699363854.db2.gz GPRVTCDVGQPQLU-KBXCAEBGSA-N 2 0 342.443 1.735 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939258974 699436555 /nfs/dbraw/zinc/43/65/55/699436555.db2.gz SSZCYPLZOSSYIA-GUYCJALGSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nc(CC[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)cs1 ZINC001031813267 699492105 /nfs/dbraw/zinc/49/21/05/699492105.db2.gz SEDMGSGDQHIXCE-UHFFFAOYSA-N 2 0 348.516 1.670 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817603 699533264 /nfs/dbraw/zinc/53/32/64/699533264.db2.gz LLNIRUCLXPLNAO-UHFFFAOYSA-N 2 0 328.416 1.565 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939399570 699549083 /nfs/dbraw/zinc/54/90/83/699549083.db2.gz YTZFNMOVSBLLTL-YJBOKZPZSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939424590 699574174 /nfs/dbraw/zinc/57/41/74/699574174.db2.gz YEGBMYZUHRZLQZ-CRAIPNDOSA-N 2 0 346.475 1.129 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)[C@@H](C)C2)CC1 ZINC000939452579 699584269 /nfs/dbraw/zinc/58/42/69/699584269.db2.gz AALSFPZIOSEUIC-YJBOKZPZSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1ncsc1CC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939549755 699682525 /nfs/dbraw/zinc/68/25/25/699682525.db2.gz CKYLIGJNVXWUJC-UKRRQHHQSA-N 2 0 348.516 1.526 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000939551267 699700431 /nfs/dbraw/zinc/70/04/31/699700431.db2.gz RTLZIDBJNWPMEV-DOMZBBRYSA-N 2 0 332.448 1.324 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941674976 701614768 /nfs/dbraw/zinc/61/47/68/701614768.db2.gz OPIFEQLHQSDFJU-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939755118 699906162 /nfs/dbraw/zinc/90/61/62/699906162.db2.gz PMWZRAIUAYNNEE-ZFWWWQNUSA-N 2 0 336.867 1.767 20 0 EDADRP CCCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)o1 ZINC000939756323 699922856 /nfs/dbraw/zinc/92/28/56/699922856.db2.gz TUPSKRSYQMRMHU-HOCLYGCPSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939756726 699923144 /nfs/dbraw/zinc/92/31/44/699923144.db2.gz WDBQIXZMJZWSCY-AEFFLSMTSA-N 2 0 344.503 1.785 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)n1 ZINC000939812926 699960434 /nfs/dbraw/zinc/96/04/34/699960434.db2.gz WSPDKCKSHWEYRJ-WMZOPIPTSA-N 2 0 347.507 1.716 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)[NH+](C)C ZINC000940164826 700300127 /nfs/dbraw/zinc/30/01/27/700300127.db2.gz ZTYXBKUWOZCBJI-SJORKVTESA-N 2 0 339.524 1.970 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000940178825 700312308 /nfs/dbraw/zinc/31/23/08/700312308.db2.gz MCOPWKSVGGYWED-QGZVFWFLSA-N 2 0 345.491 1.740 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940179516 700313315 /nfs/dbraw/zinc/31/33/15/700313315.db2.gz WMNJEGFYSAYUGT-CQSZACIVSA-N 2 0 337.493 1.493 20 0 EDADRP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000940232185 700397924 /nfs/dbraw/zinc/39/79/24/700397924.db2.gz OQGCEFVSJYORRM-SJLPKXTDSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1)[NH+](C)C ZINC000940307623 700489559 /nfs/dbraw/zinc/48/95/59/700489559.db2.gz VHSOCANZUPITLC-MRXNPFEDSA-N 2 0 335.496 1.477 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2snnc2C)CC1)[NH+](C)C ZINC000940334141 700514215 /nfs/dbraw/zinc/51/42/15/700514215.db2.gz GRMDZBCYYBFIPI-ZDUSSCGKSA-N 2 0 339.509 1.657 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940461875 700665105 /nfs/dbraw/zinc/66/51/05/700665105.db2.gz PEXZYMLJJGNCBR-CQSZACIVSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000940461991 700665619 /nfs/dbraw/zinc/66/56/19/700665619.db2.gz VKDMXMHDSHVWFI-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)CC1 ZINC000995111956 701008564 /nfs/dbraw/zinc/00/85/64/701008564.db2.gz KMFKEBVMWQZKAZ-JKSUJKDBSA-N 2 0 334.464 1.781 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000995112502 701012491 /nfs/dbraw/zinc/01/24/91/701012491.db2.gz MCHOAJRILOXPEE-HZPDHXFCSA-N 2 0 349.479 1.484 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003418 701042932 /nfs/dbraw/zinc/04/29/32/701042932.db2.gz WQFRKNLUCIUCJZ-GOEBONIOSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029097 701069821 /nfs/dbraw/zinc/06/98/21/701069821.db2.gz RPZHTDPKLXJKGP-GJZGRUSLSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029099 701069853 /nfs/dbraw/zinc/06/98/53/701069853.db2.gz RPZHTDPKLXJKGP-HUUCEWRRSA-N 2 0 325.497 1.316 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC000995171269 701694157 /nfs/dbraw/zinc/69/41/57/701694157.db2.gz ZOPFMWNRGTZIHH-KGLIPLIRSA-N 2 0 334.489 1.613 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163987 701229179 /nfs/dbraw/zinc/22/91/79/701229179.db2.gz RDSIPVCTRAZWQA-GOEBONIOSA-N 2 0 334.464 1.733 20 0 EDADRP CC1(C)C[N@H+](CC2CCOCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215062 701401306 /nfs/dbraw/zinc/40/13/06/701401306.db2.gz KPNVJGSQQGHUAX-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169996 706599140 /nfs/dbraw/zinc/59/91/40/706599140.db2.gz NNTLXBABOBGGTH-IRXDYDNUSA-N 2 0 345.491 1.325 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1)OC ZINC000941221132 701411432 /nfs/dbraw/zinc/41/14/32/701411432.db2.gz LRIHDLSTTHXVCM-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC000941345315 701480738 /nfs/dbraw/zinc/48/07/38/701480738.db2.gz RMYIFBAYRLVWJR-GOSISDBHSA-N 2 0 348.535 1.345 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)CC1 ZINC001031949286 701534804 /nfs/dbraw/zinc/53/48/04/701534804.db2.gz KNBCRJVKGGKFJG-UHFFFAOYSA-N 2 0 349.450 1.594 20 0 EDADRP Cc1nn(C)cc1CN1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129461 701821957 /nfs/dbraw/zinc/82/19/57/701821957.db2.gz YOBFKPUYUVQQDU-SJLPKXTDSA-N 2 0 347.507 1.397 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031978378 702084113 /nfs/dbraw/zinc/08/41/13/702084113.db2.gz SGDBAOXGXXTLBV-KSSFIOAISA-N 2 0 331.460 1.441 20 0 EDADRP COC[C@@H](C)[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031978949 702113798 /nfs/dbraw/zinc/11/37/98/702113798.db2.gz QABYIQSOSJXGGY-OAHLLOKOSA-N 2 0 333.476 1.487 20 0 EDADRP Cc1cnc(CN[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995891820 702190229 /nfs/dbraw/zinc/19/02/29/702190229.db2.gz DMWOKZHOHGCERS-CQSZACIVSA-N 2 0 334.464 1.794 20 0 EDADRP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182535 702202428 /nfs/dbraw/zinc/20/24/28/702202428.db2.gz MXUHHAGIUTXMSP-KRWDZBQOSA-N 2 0 330.476 1.252 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cccnc3)C(C)(C)C2)CCC1 ZINC000995900737 702206996 /nfs/dbraw/zinc/20/69/96/702206996.db2.gz YVRCPMRCGQRHIO-MRXNPFEDSA-N 2 0 330.476 1.893 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999204184 706649789 /nfs/dbraw/zinc/64/97/89/706649789.db2.gz DEXSFKZKHJRTEE-YESZJQIVSA-N 2 0 333.480 1.231 20 0 EDADRP Cn1nncc1C[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995918650 702237420 /nfs/dbraw/zinc/23/74/20/702237420.db2.gz XRYSRZSOQMVNLB-GOEBONIOSA-N 2 0 348.495 1.016 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CCC1 ZINC000995918403 702237880 /nfs/dbraw/zinc/23/78/80/702237880.db2.gz NPBZIUVGLMUEAJ-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001032186795 702283421 /nfs/dbraw/zinc/28/34/21/702283421.db2.gz WXFMTJYBXDXXSH-HNNXBMFYSA-N 2 0 335.423 1.204 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1)[NH+](C)C ZINC000995947070 702294601 /nfs/dbraw/zinc/29/46/01/702294601.db2.gz IOEXKLBCAMBPIZ-IAGOWNOFSA-N 2 0 347.507 1.496 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCOc3cccc(F)c3)C2)C1 ZINC001032185864 702309782 /nfs/dbraw/zinc/30/97/82/702309782.db2.gz DKSVLIIXZJRHOS-HNNXBMFYSA-N 2 0 335.423 1.204 20 0 EDADRP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186099 702315255 /nfs/dbraw/zinc/31/52/55/702315255.db2.gz IKVSKPIMXADSFJ-WMLDXEAASA-N 2 0 331.460 1.756 20 0 EDADRP CO[C@@H](Cc1ccccc1)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186307 702323341 /nfs/dbraw/zinc/32/33/41/702323341.db2.gz NEZZVFURCLRZHP-OALUTQOASA-N 2 0 345.487 1.244 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)ncn1 ZINC000944168869 702409278 /nfs/dbraw/zinc/40/92/78/702409278.db2.gz LGPGTEGJGLVJFO-PBHICJAKSA-N 2 0 343.475 1.207 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942055587 702502555 /nfs/dbraw/zinc/50/25/55/702502555.db2.gz BEGGIIJKVSMFBU-HOTGVXAUSA-N 2 0 335.496 1.541 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000996247135 702650208 /nfs/dbraw/zinc/65/02/08/702650208.db2.gz LJHFWLHRLAUPRH-IAGOWNOFSA-N 2 0 347.507 1.698 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000995210374 702685389 /nfs/dbraw/zinc/68/53/89/702685389.db2.gz LOOZOYVHXWLJRL-RDJZCZTQSA-N 2 0 346.475 1.561 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299890 702691170 /nfs/dbraw/zinc/69/11/70/702691170.db2.gz GHJSHWMRUZUNEY-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cnc(CN[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)nc1 ZINC000996301455 702693527 /nfs/dbraw/zinc/69/35/27/702693527.db2.gz SZPIEHBEFUHQGR-ZBFHGGJFSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256975 702748090 /nfs/dbraw/zinc/74/80/90/702748090.db2.gz IVBXYEWEDHYQOI-IRXDYDNUSA-N 2 0 345.491 1.338 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)o1 ZINC000942257996 702752355 /nfs/dbraw/zinc/75/23/55/702752355.db2.gz NWZLVQLWROBDNC-YOEHRIQHSA-N 2 0 346.475 1.938 20 0 EDADRP CCc1noc(CN[C@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996512088 702831352 /nfs/dbraw/zinc/83/13/52/702831352.db2.gz AOGYAUPFPMTFTR-KBPBESRZSA-N 2 0 349.479 1.300 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518244 702853859 /nfs/dbraw/zinc/85/38/59/702853859.db2.gz IUFQMRXYLNNQDA-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996561003 702874920 /nfs/dbraw/zinc/87/49/20/702874920.db2.gz MSPXAFAGPVTPJK-CRAIPNDOSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996560967 702874928 /nfs/dbraw/zinc/87/49/28/702874928.db2.gz MALCYZCMLCIIFH-INIZCTEOSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)oc1C ZINC000996561035 702875223 /nfs/dbraw/zinc/87/52/23/702875223.db2.gz NUPMWOGIZBMWBS-KRWDZBQOSA-N 2 0 346.475 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3coc(C)n3)CC2)CC[N@@H+]1C ZINC000996605182 702914409 /nfs/dbraw/zinc/91/44/09/702914409.db2.gz YUTOZXRXLYOPKO-DLBZAZTESA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996615132 702922539 /nfs/dbraw/zinc/92/25/39/702922539.db2.gz PEAZVBXLHAFOIT-UKRRQHHQSA-N 2 0 336.505 1.730 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623065 702928412 /nfs/dbraw/zinc/92/84/12/702928412.db2.gz UZOUCYYDFJSWQX-QZTJIDSGSA-N 2 0 344.459 1.025 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000996643637 702946277 /nfs/dbraw/zinc/94/62/77/702946277.db2.gz DBPNYBVFKRNPON-WBVHZDCISA-N 2 0 345.491 1.993 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996646253 702948304 /nfs/dbraw/zinc/94/83/04/702948304.db2.gz RNZWSLRJZWAKLC-OAHLLOKOSA-N 2 0 337.493 1.493 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996664549 702966908 /nfs/dbraw/zinc/96/69/08/702966908.db2.gz WRPZROLSEQIDAC-KRWDZBQOSA-N 2 0 333.480 1.375 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996671119 702972336 /nfs/dbraw/zinc/97/23/36/702972336.db2.gz MFGYNYPSWIODAM-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP CC(C)C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000996672601 702973770 /nfs/dbraw/zinc/97/37/70/702973770.db2.gz RUDANVBWSBDFAQ-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996677561 702976660 /nfs/dbraw/zinc/97/66/60/702976660.db2.gz LBLYDTNQFGPPTN-KRWDZBQOSA-N 2 0 334.464 1.712 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC000996688218 702985716 /nfs/dbraw/zinc/98/57/16/702985716.db2.gz GRXLFYJQFUZSBS-WBVHZDCISA-N 2 0 345.491 1.993 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996690080 702987470 /nfs/dbraw/zinc/98/74/70/702987470.db2.gz OIDUBDXFCHJKQY-KRWDZBQOSA-N 2 0 347.507 1.858 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996727491 703022261 /nfs/dbraw/zinc/02/22/61/703022261.db2.gz GIMKOKOBHRYRTG-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001032027411 703049330 /nfs/dbraw/zinc/04/93/30/703049330.db2.gz RCCBABXMYPOXNU-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)no1 ZINC000996768412 703055807 /nfs/dbraw/zinc/05/58/07/703055807.db2.gz BEPGMYGKDHSUNR-UHFFFAOYSA-N 2 0 332.448 1.692 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597138 703112007 /nfs/dbraw/zinc/11/20/07/703112007.db2.gz JCHRSDHTWQOGBN-CRAIPNDOSA-N 2 0 330.476 1.750 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996854260 703132825 /nfs/dbraw/zinc/13/28/25/703132825.db2.gz BUBBYRFSZAJSFC-LPHOPBHVSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)c1ncccn1 ZINC000996922037 703193045 /nfs/dbraw/zinc/19/30/45/703193045.db2.gz LAFWEGGCUDPIPV-JYJNAYRXSA-N 2 0 345.491 1.849 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996946074 703214753 /nfs/dbraw/zinc/21/47/53/703214753.db2.gz NWYSEZWSDNZLCL-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1oncc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996976263 703241522 /nfs/dbraw/zinc/24/15/22/703241522.db2.gz BYNWAINDXINISC-DYVFJYSZSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996977340 703242104 /nfs/dbraw/zinc/24/21/04/703242104.db2.gz IDMVFTYUIFORJW-CZUORRHYSA-N 2 0 334.464 1.794 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000996995176 703251876 /nfs/dbraw/zinc/25/18/76/703251876.db2.gz LWOPSUWFQJXNHD-AWEZNQCLSA-N 2 0 348.495 1.493 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996998497 703255629 /nfs/dbraw/zinc/25/56/29/703255629.db2.gz KEIAXPGXJIWBCN-AWEZNQCLSA-N 2 0 348.495 1.171 20 0 EDADRP C[C@H](O)C[NH2+]C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000997000333 703257366 /nfs/dbraw/zinc/25/73/66/703257366.db2.gz PGPCIDPDGVICCQ-HNNXBMFYSA-N 2 0 333.476 1.366 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997004611 703261710 /nfs/dbraw/zinc/26/17/10/703261710.db2.gz FNXIQNYDULHDGY-OAHLLOKOSA-N 2 0 345.491 1.252 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006910 703264219 /nfs/dbraw/zinc/26/42/19/703264219.db2.gz HFRGCZAHFKIPBZ-GUYCJALGSA-N 2 0 334.439 1.499 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997060765 703305721 /nfs/dbraw/zinc/30/57/21/703305721.db2.gz JMJXNOHJDNUKTA-QGZVFWFLSA-N 2 0 347.507 1.764 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC([NH2+]CCC3CC3)CC2)cn1 ZINC000997082551 703321131 /nfs/dbraw/zinc/32/11/31/703321131.db2.gz HRYLUMWCRNLAKG-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCOC2)CC1 ZINC001032699754 706736836 /nfs/dbraw/zinc/73/68/36/706736836.db2.gz WHGNRFPHSCTBFV-BZSNNMDCSA-N 2 0 335.492 1.430 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921526736 703385154 /nfs/dbraw/zinc/38/51/54/703385154.db2.gz IKXRVCHCSOXIMH-UHFFFAOYSA-N 2 0 348.520 1.661 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1)[NH+]1CCCCC1 ZINC001032404374 703424035 /nfs/dbraw/zinc/42/40/35/703424035.db2.gz FMEUUWVJSJAGLG-ULQDDVLXSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)CC[N@@H+]1C ZINC001032411664 703446735 /nfs/dbraw/zinc/44/67/35/703446735.db2.gz UTQPDMXWYUVFAO-WBTNSWJXSA-N 2 0 333.501 1.916 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997170120 703452070 /nfs/dbraw/zinc/45/20/70/703452070.db2.gz LLFCQNKRXCWHDT-QGZVFWFLSA-N 2 0 349.479 1.805 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997187328 703476984 /nfs/dbraw/zinc/47/69/84/703476984.db2.gz XRMUNRPJIILRPT-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP COc1ccc(CC[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000997299878 703557225 /nfs/dbraw/zinc/55/72/25/703557225.db2.gz QVDIHJAQRSWABK-KRWDZBQOSA-N 2 0 345.487 1.770 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000997307424 703565771 /nfs/dbraw/zinc/56/57/71/703565771.db2.gz QTAHQRQSVKJEGP-LBPRGKRZSA-N 2 0 337.493 1.584 20 0 EDADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997345418 703575416 /nfs/dbraw/zinc/57/54/16/703575416.db2.gz NPDIRBWXVBEYBM-JKSUJKDBSA-N 2 0 347.503 1.959 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997361165 703598365 /nfs/dbraw/zinc/59/83/65/703598365.db2.gz TWOPSRBILJWTTF-HUUCEWRRSA-N 2 0 331.464 1.430 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997367118 703601536 /nfs/dbraw/zinc/60/15/36/703601536.db2.gz UBGVGIXDHVNXHS-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP O=C(Cn1ccnc1)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000997412569 703668300 /nfs/dbraw/zinc/66/83/00/703668300.db2.gz FUVBCEBDRKENLR-UHFFFAOYSA-N 2 0 339.852 1.774 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997422782 703671372 /nfs/dbraw/zinc/67/13/72/703671372.db2.gz ZCVVWFWXHMAPGD-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997611780 703911912 /nfs/dbraw/zinc/91/19/12/703911912.db2.gz HIGFFZDPXVXGBL-QAPCUYQASA-N 2 0 345.491 1.768 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997615327 703914509 /nfs/dbraw/zinc/91/45/09/703914509.db2.gz UERONRLQIRRNFH-KRWDZBQOSA-N 2 0 346.475 1.974 20 0 EDADRP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997615774 703914763 /nfs/dbraw/zinc/91/47/63/703914763.db2.gz WVHBUHAAHXKMGT-ZFWWWQNUSA-N 2 0 349.479 1.615 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997615742 703914878 /nfs/dbraw/zinc/91/48/78/703914878.db2.gz WSYHMEBZHLMPCA-HOCLYGCPSA-N 2 0 334.464 1.966 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995550980 703955585 /nfs/dbraw/zinc/95/55/85/703955585.db2.gz LAFRAFFUSGFIOG-JKSUJKDBSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001004205495 703961170 /nfs/dbraw/zinc/96/11/70/703961170.db2.gz DFKPLBVFCQWBBK-KBPBESRZSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999286546 706779585 /nfs/dbraw/zinc/77/95/85/706779585.db2.gz AEQCWLJHMPPQEO-FHERZECASA-N 2 0 348.495 1.314 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080818 704135371 /nfs/dbraw/zinc/13/53/71/704135371.db2.gz JOITXJAQKZSRBG-QZTJIDSGSA-N 2 0 342.487 1.765 20 0 EDADRP CC[N@H+]1C[C@@H]2CCN(C(=O)Cc3cn4c(n3)CCCC4)CC[C@@H]2C1 ZINC000946597989 704309178 /nfs/dbraw/zinc/30/91/78/704309178.db2.gz SVTBDINHBOFDQM-IYBDPMFKSA-N 2 0 330.476 1.952 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004440239 704422743 /nfs/dbraw/zinc/42/27/43/704422743.db2.gz YKROIEAWLGJXMV-QZTJIDSGSA-N 2 0 335.492 1.024 20 0 EDADRP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997736240 704628395 /nfs/dbraw/zinc/62/83/95/704628395.db2.gz QKIXKXOLOIRBEX-CABCVRRESA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997785050 704689012 /nfs/dbraw/zinc/68/90/12/704689012.db2.gz IHMJFCOXWSZODB-RHSMWYFYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC000997786631 704692891 /nfs/dbraw/zinc/69/28/91/704692891.db2.gz TZMWXSUJIPHAOH-RHSMWYFYSA-N 2 0 333.480 1.089 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997783995 704694619 /nfs/dbraw/zinc/69/46/19/704694619.db2.gz NHVJEHWXSIUWMT-RTBURBONSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)CC1 ZINC000997816485 704737856 /nfs/dbraw/zinc/73/78/56/704737856.db2.gz FUMNCQMHWOSCFP-INIZCTEOSA-N 2 0 339.524 1.706 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)C1 ZINC000997822831 704742582 /nfs/dbraw/zinc/74/25/82/704742582.db2.gz GUEIHGWLIWSUSU-KRWDZBQOSA-N 2 0 348.491 1.981 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)[nH]1 ZINC000997823322 704744999 /nfs/dbraw/zinc/74/49/99/704744999.db2.gz LAVLOGMNJZEXME-ZDUSSCGKSA-N 2 0 348.495 1.487 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)C1CCC1 ZINC000997830607 704748756 /nfs/dbraw/zinc/74/87/56/704748756.db2.gz KDAWNGCCUOLKGY-UHFFFAOYSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997831091 704751376 /nfs/dbraw/zinc/75/13/76/704751376.db2.gz QEOMDSYEZJHOMV-LRDDRELGSA-N 2 0 349.479 1.607 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997831051 704751531 /nfs/dbraw/zinc/75/15/31/704751531.db2.gz PDMIAZVDWOMBJX-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944921024 704773097 /nfs/dbraw/zinc/77/30/97/704773097.db2.gz XRMNXMMMWNJESP-GOEBONIOSA-N 2 0 348.491 1.968 20 0 EDADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000997951667 705070724 /nfs/dbraw/zinc/07/07/24/705070724.db2.gz YTINSDZNNNUOBI-IAGOWNOFSA-N 2 0 348.495 1.112 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCCO2)CC[N@@H+]1C ZINC001032586741 705105932 /nfs/dbraw/zinc/10/59/32/705105932.db2.gz BWGXKGMXDVTSTO-KFGODFMUSA-N 2 0 335.492 1.571 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)CC[N@@H+]1C ZINC001032589212 705153036 /nfs/dbraw/zinc/15/30/36/705153036.db2.gz YJJMGSFTKBEFCG-DKIMLUQUSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000998004797 705167152 /nfs/dbraw/zinc/16/71/52/705167152.db2.gz PTXCMBPSSWYSMC-JQHSSLGASA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC000998033262 705218191 /nfs/dbraw/zinc/21/81/91/705218191.db2.gz YAINHXTYNMBKIJ-UHFFFAOYSA-N 2 0 347.507 1.399 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998081564 705301807 /nfs/dbraw/zinc/30/18/07/705301807.db2.gz JNNOEWNHKLQACT-ZDUSSCGKSA-N 2 0 337.493 1.351 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998080518 705305851 /nfs/dbraw/zinc/30/58/51/705305851.db2.gz BXNQQCDYWCEZDZ-YOEHRIQHSA-N 2 0 348.491 1.763 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998082216 705309150 /nfs/dbraw/zinc/30/91/50/705309150.db2.gz OPEKDOMBKBYXRX-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP CCn1nncc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000998082568 705310425 /nfs/dbraw/zinc/31/04/25/705310425.db2.gz QTAYZHOUSDITIQ-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998135931 705401210 /nfs/dbraw/zinc/40/12/10/705401210.db2.gz LKDKICHOOGEONZ-KRWDZBQOSA-N 2 0 349.479 1.661 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998222795 705549362 /nfs/dbraw/zinc/54/93/62/705549362.db2.gz MZKZDBCUFGPVCM-UHFFFAOYSA-N 2 0 332.448 1.407 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000998265421 705632189 /nfs/dbraw/zinc/63/21/89/705632189.db2.gz MHSFPWLZXVIFDN-INIZCTEOSA-N 2 0 346.475 1.832 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000998267937 705639371 /nfs/dbraw/zinc/63/93/71/705639371.db2.gz AOBSXYQDYBJDEK-UHFFFAOYSA-N 2 0 346.475 1.976 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1csnn1 ZINC000998270600 705649163 /nfs/dbraw/zinc/64/91/63/705649163.db2.gz VTOHBWYJKYFOJZ-ZDUSSCGKSA-N 2 0 337.493 1.523 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998720542 706152390 /nfs/dbraw/zinc/15/23/90/706152390.db2.gz JDTFOITWAYUYJG-SJORKVTESA-N 2 0 333.480 1.120 20 0 EDADRP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)cs1 ZINC000998722695 706154082 /nfs/dbraw/zinc/15/40/82/706154082.db2.gz PYBMZEPQNYNFOA-GDBMZVCRSA-N 2 0 336.505 1.669 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728159 706158007 /nfs/dbraw/zinc/15/80/07/706158007.db2.gz BTRIUDSFLMPMAE-AEFFLSMTSA-N 2 0 349.450 1.493 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000998762386 706200529 /nfs/dbraw/zinc/20/05/29/706200529.db2.gz CQJNYFDYUWFXCB-SSDMNJCBSA-N 2 0 337.493 1.490 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998995717 706413024 /nfs/dbraw/zinc/41/30/24/706413024.db2.gz UBIQQJJJHGJDDB-DQPZFDDXSA-N 2 0 348.495 1.170 20 0 EDADRP Cn1nccc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946517246 706522004 /nfs/dbraw/zinc/52/20/04/706522004.db2.gz CYNBQNKDKUXHLX-JZXOWHBKSA-N 2 0 345.491 1.185 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999144233 706557628 /nfs/dbraw/zinc/55/76/28/706557628.db2.gz KJUKGUOPRJVMFD-RDJZCZTQSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)co1 ZINC000946518072 706569171 /nfs/dbraw/zinc/56/91/71/706569171.db2.gz NQECQOHCXFYVJI-SOLBZPMBSA-N 2 0 346.475 1.748 20 0 EDADRP O=C(c1cc(-n2ccnc2)ccn1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032712870 706836772 /nfs/dbraw/zinc/83/67/72/706836772.db2.gz MZWHVQLOZXCLNI-IRXDYDNUSA-N 2 0 337.427 1.966 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000999340730 706852284 /nfs/dbraw/zinc/85/22/84/706852284.db2.gz FHAKPCJZZQJXAG-UHFFFAOYSA-N 2 0 334.439 1.642 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999340656 706852376 /nfs/dbraw/zinc/85/23/76/706852376.db2.gz DTEBWUHMJLUEDR-JCYILVPMSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999379551 706873403 /nfs/dbraw/zinc/87/34/03/706873403.db2.gz ZHYRUZIWWQKKPJ-MSOLQXFVSA-N 2 0 347.507 1.421 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362246 706875698 /nfs/dbraw/zinc/87/56/98/706875698.db2.gz AJABAFSBNZXSBT-SJLPKXTDSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999367153 706880898 /nfs/dbraw/zinc/88/08/98/706880898.db2.gz DSDXHRWZSBMFOC-WMZOPIPTSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999399647 706894176 /nfs/dbraw/zinc/89/41/76/706894176.db2.gz IXCFTNXLTRJMIP-IAGOWNOFSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999404033 706912673 /nfs/dbraw/zinc/91/26/73/706912673.db2.gz YUHYVJQBNVLWIY-ZWKOTPCHSA-N 2 0 347.507 1.418 20 0 EDADRP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999410421 706920451 /nfs/dbraw/zinc/92/04/51/706920451.db2.gz XFQNRLIVVOYSTQ-RWBZWWBESA-N 2 0 330.476 1.811 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000999507768 707005374 /nfs/dbraw/zinc/00/53/74/707005374.db2.gz DXGVEDRPNCYNGG-IRXDYDNUSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000999510760 707009179 /nfs/dbraw/zinc/00/91/79/707009179.db2.gz LYIRYMMUPCLFSJ-RDJZCZTQSA-N 2 0 331.464 1.350 20 0 EDADRP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999510761 707009289 /nfs/dbraw/zinc/00/92/89/707009289.db2.gz ZRXNUKIOIBMFPJ-UHFFFAOYSA-N 2 0 348.495 1.109 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999514043 707012865 /nfs/dbraw/zinc/01/28/65/707012865.db2.gz UEBUUTHGCRGRHH-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999490121 707026353 /nfs/dbraw/zinc/02/63/53/707026353.db2.gz OXEKHAZBEWOHEQ-MSOLQXFVSA-N 2 0 349.519 1.870 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CCc2ccns2)C1)C12CCC[NH+]1CCC2 ZINC000999597020 707100001 /nfs/dbraw/zinc/10/00/01/707100001.db2.gz ODXDPQWVPLUGQS-OAHLLOKOSA-N 2 0 348.516 1.895 20 0 EDADRP Cn1ccnc1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999778244 707339348 /nfs/dbraw/zinc/33/93/48/707339348.db2.gz WHDAMDQSWPMTCF-MRXNPFEDSA-N 2 0 327.432 1.529 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276711 707341223 /nfs/dbraw/zinc/34/12/23/707341223.db2.gz FPYVLMRSLHRLIN-DHADLLTHSA-N 2 0 335.492 1.428 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033183561 707360642 /nfs/dbraw/zinc/36/06/42/707360642.db2.gz ZNJCWPMJVVMPLP-ROUUACIJSA-N 2 0 349.519 1.964 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795218 707366513 /nfs/dbraw/zinc/36/65/13/707366513.db2.gz YLXWBYGRQCYMIB-SJLPKXTDSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000999838903 707411450 /nfs/dbraw/zinc/41/14/50/707411450.db2.gz YXJAHRFBSOOTFS-MUYFXNHWSA-N 2 0 344.503 1.783 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033317581 707504972 /nfs/dbraw/zinc/50/49/72/707504972.db2.gz BOBZHUYMYWBBTE-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365153 707658803 /nfs/dbraw/zinc/65/88/03/707658803.db2.gz LWDGZTMALFEBPB-MSOLQXFVSA-N 2 0 337.508 1.963 20 0 EDADRP CN(C(=O)[C@@H]1COCCN1C1CCCC1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033365932 707661302 /nfs/dbraw/zinc/66/13/02/707661302.db2.gz RQOLYAPBPKOQDF-OALUTQOASA-N 2 0 349.519 1.963 20 0 EDADRP C[C@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004928550 707674118 /nfs/dbraw/zinc/67/41/18/707674118.db2.gz PZMSLKGXGUWLOP-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CC3CCOCC3)C2)CC[N@@H+]1C ZINC001033359123 707684551 /nfs/dbraw/zinc/68/45/51/707684551.db2.gz UYJMJFJQCKXDDF-RYQLBKOJSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033395369 707733111 /nfs/dbraw/zinc/73/31/11/707733111.db2.gz ILKNXGPDHUHYKF-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001004957468 707753569 /nfs/dbraw/zinc/75/35/69/707753569.db2.gz RKZSRYKGRNRGSX-MAUKXSAKSA-N 2 0 347.507 1.828 20 0 EDADRP Cc1nocc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974773 707805343 /nfs/dbraw/zinc/80/53/43/707805343.db2.gz AOPAJTLHPYPREY-NVXWUHKLSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033427247 707851516 /nfs/dbraw/zinc/85/15/16/707851516.db2.gz ZBGIBACTPCMVPQ-INIZCTEOSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990757 707852494 /nfs/dbraw/zinc/85/24/94/707852494.db2.gz JWNHRKZQQZUJRR-WMZOPIPTSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1cccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)c1 ZINC001032782437 707972970 /nfs/dbraw/zinc/97/29/70/707972970.db2.gz DITLCMZDZHRRLA-ROUUACIJSA-N 2 0 343.471 1.755 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001000521759 708039766 /nfs/dbraw/zinc/03/97/66/708039766.db2.gz NSYDHBBVFCSTKS-MOPGFXCFSA-N 2 0 349.519 1.770 20 0 EDADRP Cc1nn(C)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032802052 708085227 /nfs/dbraw/zinc/08/52/27/708085227.db2.gz QDRQFYYGLFTUOW-ROUUACIJSA-N 2 0 345.491 1.390 20 0 EDADRP COCc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2ccnc2)c1 ZINC001032815156 708152618 /nfs/dbraw/zinc/15/26/18/708152618.db2.gz FMMKGIJHMDDUBO-ROUUACIJSA-N 2 0 340.427 1.515 20 0 EDADRP C[C@@H](c1cnccn1)[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001001537727 708161902 /nfs/dbraw/zinc/16/19/02/708161902.db2.gz CIZOWTWRICABRN-MAUKXSAKSA-N 2 0 345.491 1.850 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001001794118 708308863 /nfs/dbraw/zinc/30/88/63/708308863.db2.gz BFSHCQUOLWPRKU-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001001794192 708308961 /nfs/dbraw/zinc/30/89/61/708308961.db2.gz COVDHDJDFCGHSR-UHFFFAOYSA-N 2 0 345.491 1.455 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC001001794544 708309402 /nfs/dbraw/zinc/30/94/02/708309402.db2.gz GTRBDFWESGBYKU-UHFFFAOYSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001824128 708326219 /nfs/dbraw/zinc/32/62/19/708326219.db2.gz BUCUHRLLGABZJJ-QAPCUYQASA-N 2 0 337.508 1.439 20 0 EDADRP Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001033615906 708341315 /nfs/dbraw/zinc/34/13/15/708341315.db2.gz DAIZWFSVSVJYGH-HZPDHXFCSA-N 2 0 334.464 1.610 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033654378 708421989 /nfs/dbraw/zinc/42/19/89/708421989.db2.gz ATANYXACTYKGKH-QZTJIDSGSA-N 2 0 337.508 1.678 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033666794 708453127 /nfs/dbraw/zinc/45/31/27/708453127.db2.gz ZKPWQANNDYROLX-SFHVURJKSA-N 2 0 345.487 1.866 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033658703 708469853 /nfs/dbraw/zinc/46/98/53/708469853.db2.gz BIQSGQWPDIRTSC-IAGOWNOFSA-N 2 0 331.460 1.680 20 0 EDADRP CCc1nocc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002044081 708534695 /nfs/dbraw/zinc/53/46/95/708534695.db2.gz XUTOHBOATVRCOL-UHFFFAOYSA-N 2 0 346.475 1.661 20 0 EDADRP O=C(NCC1CC[NH+](CC[C@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001002042314 708563509 /nfs/dbraw/zinc/56/35/09/708563509.db2.gz FQYJCOKNVNGMED-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP CCc1cnc(CN2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002119468 708632442 /nfs/dbraw/zinc/63/24/42/708632442.db2.gz ALMNPHUFIADWIE-HNNXBMFYSA-N 2 0 334.464 1.517 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002119751 708632862 /nfs/dbraw/zinc/63/28/62/708632862.db2.gz DNSWOMQLHUFLIG-INIZCTEOSA-N 2 0 333.480 1.008 20 0 EDADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001002159328 708673394 /nfs/dbraw/zinc/67/33/94/708673394.db2.gz QPVWADDJBQLHRK-AWEZNQCLSA-N 2 0 346.475 1.064 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005384258 708821157 /nfs/dbraw/zinc/82/11/57/708821157.db2.gz KECKMFHLKGEKIS-SFHVURJKSA-N 2 0 347.507 1.716 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000921935009 709054265 /nfs/dbraw/zinc/05/42/65/709054265.db2.gz IGEDLFXOMIWKNB-ZSYWTGECSA-N 2 0 342.487 1.900 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033932057 709099232 /nfs/dbraw/zinc/09/92/32/709099232.db2.gz GCORHASQVGCTQJ-IRXDYDNUSA-N 2 0 325.497 1.414 20 0 EDADRP COC[C@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005493482 709215624 /nfs/dbraw/zinc/21/56/24/709215624.db2.gz RZPOZQOMWUOQRR-IRXDYDNUSA-N 2 0 339.524 1.922 20 0 EDADRP COCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503886 709328819 /nfs/dbraw/zinc/32/88/19/709328819.db2.gz KTJWEVHJCWOPOX-GOSISDBHSA-N 2 0 337.508 1.963 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034260857 709647921 /nfs/dbraw/zinc/64/79/21/709647921.db2.gz PRMLBHPTJMBXSB-JKSUJKDBSA-N 2 0 336.480 1.932 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034310035 709753002 /nfs/dbraw/zinc/75/30/02/709753002.db2.gz RZSIAPHSDXLAKZ-HOCLYGCPSA-N 2 0 330.432 1.954 20 0 EDADRP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@H]1CCn2cncc2C1 ZINC001003179648 710096159 /nfs/dbraw/zinc/09/61/59/710096159.db2.gz JEJMMZJBIFIJEZ-LBPRGKRZSA-N 2 0 344.381 1.979 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003229417 710150674 /nfs/dbraw/zinc/15/06/74/710150674.db2.gz GGPDYXSFFYKZHZ-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCOCC3)C2)C1 ZINC001034526483 710178473 /nfs/dbraw/zinc/17/84/73/710178473.db2.gz YPLKWXNZSLNIST-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC001034647330 710323491 /nfs/dbraw/zinc/32/34/91/710323491.db2.gz FMJQMWOSHBQQDX-YFHUEUNASA-N 2 0 345.491 1.642 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841586 710331686 /nfs/dbraw/zinc/33/16/86/710331686.db2.gz IYCNOCXQJIBUSQ-CGTJXYLNSA-N 2 0 331.460 1.252 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034658234 710342713 /nfs/dbraw/zinc/34/27/13/710342713.db2.gz BQYNNDNMSVRDRV-BRWVUGGUSA-N 2 0 345.491 1.868 20 0 EDADRP OC1(C[NH2+]Cc2cnn(CCF)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000922184340 710369380 /nfs/dbraw/zinc/36/93/80/710369380.db2.gz DILCBUILITZEEM-UHFFFAOYSA-N 2 0 346.450 1.969 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189691 710391184 /nfs/dbraw/zinc/39/11/84/710391184.db2.gz BOYYAMPDQAWUDN-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC001003548933 710414518 /nfs/dbraw/zinc/41/45/18/710414518.db2.gz WOJKCBUXENVBCC-LPHOPBHVSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003745739 710528079 /nfs/dbraw/zinc/52/80/79/710528079.db2.gz SQPWAMZWYJJGRS-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@@H](F)CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003777980 710557494 /nfs/dbraw/zinc/55/74/94/710557494.db2.gz VJSHJGHGZZAEPK-CQSZACIVSA-N 2 0 339.459 1.387 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034659444 710588633 /nfs/dbraw/zinc/58/86/33/710588633.db2.gz UTKMWZJOISPKNR-BZUAXINKSA-N 2 0 348.495 1.207 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCOC2CCC2)CC1 ZINC001005591183 710647185 /nfs/dbraw/zinc/64/71/85/710647185.db2.gz FWQTXWLMIIRJMC-SFHVURJKSA-N 2 0 337.508 1.963 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034683863 710699413 /nfs/dbraw/zinc/69/94/13/710699413.db2.gz NPMFCSZMVHDVRD-WKILWMFISA-N 2 0 345.491 1.566 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)[NH+]1CCCC1 ZINC001034704459 710815006 /nfs/dbraw/zinc/81/50/06/710815006.db2.gz QFBNDGBSMNTRQC-QAQDUYKDSA-N 2 0 347.507 1.775 20 0 EDADRP Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034704711 710815663 /nfs/dbraw/zinc/81/56/63/710815663.db2.gz TXBVBUNUIGZZES-SHTZXODSSA-N 2 0 348.495 1.207 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005661953 710874176 /nfs/dbraw/zinc/87/41/76/710874176.db2.gz CRWINXPYQQIOCN-KRWDZBQOSA-N 2 0 349.519 1.964 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034735857 710922272 /nfs/dbraw/zinc/92/22/72/710922272.db2.gz OBTDIEMJJMFXLU-JQFCIGGWSA-N 2 0 334.464 1.984 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001034736187 710922638 /nfs/dbraw/zinc/92/26/38/710922638.db2.gz RZOMELKOAKGCEO-WKILWMFISA-N 2 0 347.507 1.669 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001032960123 710966534 /nfs/dbraw/zinc/96/65/34/710966534.db2.gz NPNODUYGVXAKLT-AEFFLSMTSA-N 2 0 331.460 1.692 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)C1 ZINC001034779949 711065387 /nfs/dbraw/zinc/06/53/87/711065387.db2.gz ZAORJEMPMRGHRY-BZUAXINKSA-N 2 0 331.464 1.335 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001034785394 711087826 /nfs/dbraw/zinc/08/78/26/711087826.db2.gz UYEOOPQBXMVSSV-BJLQDIEVSA-N 2 0 349.519 1.916 20 0 EDADRP Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034787132 711092445 /nfs/dbraw/zinc/09/24/45/711092445.db2.gz YHPQITPMAGTMPK-BZUAXINKSA-N 2 0 334.464 1.704 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)cn1 ZINC001034934737 711361319 /nfs/dbraw/zinc/36/13/19/711361319.db2.gz VKNWPZVUANJGOW-MSOLQXFVSA-N 2 0 345.491 1.738 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034953727 711418580 /nfs/dbraw/zinc/41/85/80/711418580.db2.gz HMUCDCPOZHFYAB-IAGOWNOFSA-N 2 0 333.480 1.375 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034936670 711436889 /nfs/dbraw/zinc/43/68/89/711436889.db2.gz UWVUULBEDZFFGL-QZTJIDSGSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(CC(F)F)c1)C2 ZINC000922389700 711438351 /nfs/dbraw/zinc/43/83/51/711438351.db2.gz JJOXUQXEPZTHPN-TXCZRRACSA-N 2 0 342.434 1.718 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034940718 711444466 /nfs/dbraw/zinc/44/44/66/711444466.db2.gz HPGCZTYGTJLVOZ-MOPGFXCFSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1nnc([C@@H]2OCC[C@@H]2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[nH]1 ZINC000922408825 711484405 /nfs/dbraw/zinc/48/44/05/711484405.db2.gz ZSBLCBKCQJMRRS-CZUORRHYSA-N 2 0 339.403 1.561 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000559463545 306255376 /nfs/dbraw/zinc/25/53/76/306255376.db2.gz WALQUCPWYZZBFV-HNNXBMFYSA-N 2 0 325.478 1.368 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000169212222 529980354 /nfs/dbraw/zinc/98/03/54/529980354.db2.gz QLHOHXKDBWJDOL-PBHICJAKSA-N 2 0 346.475 1.647 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000168964566 529993501 /nfs/dbraw/zinc/99/35/01/529993501.db2.gz HRDPDXIEBHFOFQ-JKSUJKDBSA-N 2 0 333.476 1.858 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC([NH+](C)Cc3ccccc3)C2)C[C@H](C)O1 ZINC000349111013 539396811 /nfs/dbraw/zinc/39/68/11/539396811.db2.gz VLUPPWBYNPYPDC-FUHIMQAGSA-N 2 0 347.503 1.273 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000178935934 232621542 /nfs/dbraw/zinc/62/15/42/232621542.db2.gz LRVQHUUWDDVFEA-IBGZPJMESA-N 2 0 348.491 1.394 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000332972616 539618680 /nfs/dbraw/zinc/61/86/80/539618680.db2.gz CUBCCIXEBBFTSI-ZWKOTPCHSA-N 2 0 337.508 1.602 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000412423672 304006599 /nfs/dbraw/zinc/00/65/99/304006599.db2.gz UFGNPZBYSARSHU-NVXWUHKLSA-N 2 0 325.497 1.628 20 0 EDADRP c1cnc(N2CCN(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066705 539700048 /nfs/dbraw/zinc/70/00/48/539700048.db2.gz DMAYSUGEVZDANV-MSOLQXFVSA-N 2 0 344.507 1.205 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(F)F)cc1 ZINC000561504461 306288573 /nfs/dbraw/zinc/28/85/73/306288573.db2.gz GOIOPOBPKVKSNA-UHFFFAOYSA-N 2 0 349.447 1.738 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)[N@H+](C)C1 ZINC000345888296 539842039 /nfs/dbraw/zinc/84/20/39/539842039.db2.gz NPYRINHDOBWXKK-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@@H](C)[NH2+]1 ZINC000562809493 306310114 /nfs/dbraw/zinc/31/01/14/306310114.db2.gz WCXNNWNZTMOSFK-HFAKWTLXSA-N 2 0 340.265 1.832 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563210592 306323846 /nfs/dbraw/zinc/32/38/46/306323846.db2.gz BOIBHUJCBHGSJI-YJBOKZPZSA-N 2 0 330.476 1.016 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)C1 ZINC000249074475 283061760 /nfs/dbraw/zinc/06/17/60/283061760.db2.gz NEDLBZPWSHPEDJ-HDMKZQKVSA-N 2 0 325.497 1.709 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000175236381 283171360 /nfs/dbraw/zinc/17/13/60/283171360.db2.gz KGVWGBWNDJDOJY-QGZVFWFLSA-N 2 0 341.544 1.290 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079599064 138262252 /nfs/dbraw/zinc/26/22/52/138262252.db2.gz QXPMJPRMSSEWOW-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@H](CO)C1 ZINC000125909842 138336874 /nfs/dbraw/zinc/33/68/74/138336874.db2.gz FHPOUSXNCPHWQA-NZSAHSFTSA-N 2 0 345.487 1.470 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000130697376 138345878 /nfs/dbraw/zinc/34/58/78/138345878.db2.gz KYLNHPQQLBDELQ-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP CCOC(=O)CCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000133007758 138387013 /nfs/dbraw/zinc/38/70/13/138387013.db2.gz BHXNOJRMQVVKLF-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000186843707 236039095 /nfs/dbraw/zinc/03/90/95/236039095.db2.gz YWIBBZVRVBOXQA-QAPCUYQASA-N 2 0 330.476 1.162 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352798014 291127032 /nfs/dbraw/zinc/12/70/32/291127032.db2.gz WYBGBTZZBKSXRV-YJBOKZPZSA-N 2 0 334.508 1.288 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000564803835 306365653 /nfs/dbraw/zinc/36/56/53/306365653.db2.gz UGLKJLXLZBPLSY-UHFFFAOYSA-N 2 0 341.459 1.549 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000564838982 306366379 /nfs/dbraw/zinc/36/63/79/306366379.db2.gz NOKLUYCYRZUUCK-XJKSGUPXSA-N 2 0 332.448 1.166 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)CC(F)(F)CN)CC1 ZINC000565151675 306376025 /nfs/dbraw/zinc/37/60/25/306376025.db2.gz OQAGCXNPGGNNPT-UHFFFAOYSA-N 2 0 326.391 1.751 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000414065653 304099614 /nfs/dbraw/zinc/09/96/14/304099614.db2.gz OSWINZLUNINBCL-FUHWJXTLSA-N 2 0 334.508 1.883 20 0 EDADRP CCN(C)C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000565488259 306384995 /nfs/dbraw/zinc/38/49/95/306384995.db2.gz CPTBRFZKFMTBMP-SFHVURJKSA-N 2 0 333.476 1.536 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000565823087 306392157 /nfs/dbraw/zinc/39/21/57/306392157.db2.gz KHGUPCQJTWQCIQ-SOLBZPMBSA-N 2 0 330.476 1.890 20 0 EDADRP CCc1nc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cs1 ZINC000414480736 304117887 /nfs/dbraw/zinc/11/78/87/304117887.db2.gz JOEVORDESBJXKF-UHFFFAOYSA-N 2 0 338.521 1.592 20 0 EDADRP C[NH+](C)Cc1ccc(-c2noc(-c3cn(CCC[NH3+])nn3)n2)cc1 ZINC000414481667 304118407 /nfs/dbraw/zinc/11/84/07/304118407.db2.gz LZQQPBMIQVQGHC-UHFFFAOYSA-N 2 0 327.392 1.406 20 0 EDADRP C[C@](CO)(C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423072286 291333207 /nfs/dbraw/zinc/33/32/07/291333207.db2.gz IXXKPBPMJGTDAH-MTQWCTHYSA-N 2 0 332.488 1.974 20 0 EDADRP CCOc1cc(C)nc(N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414694656 304128329 /nfs/dbraw/zinc/12/83/29/304128329.db2.gz NHQCMMUJJMJGHI-HOCLYGCPSA-N 2 0 333.480 1.694 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(CC(=O)NC3CCCCC3)CC2)CC[NH2+]1 ZINC000414695721 304128627 /nfs/dbraw/zinc/12/86/27/304128627.db2.gz OPLTZBOTZDZMLR-IAGOWNOFSA-N 2 0 336.524 1.441 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](CCO)[C@H]2CCCc3ccccc32)C1 ZINC000414694758 304128395 /nfs/dbraw/zinc/12/83/95/304128395.db2.gz NRUMTZDZCRYMCI-APWZRJJASA-N 2 0 345.487 1.556 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)n1 ZINC000414699859 304129203 /nfs/dbraw/zinc/12/92/03/304129203.db2.gz FQAQWGAFJLJHAI-GJZGRUSLSA-N 2 0 339.484 1.658 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2cccc(O)c2)CC2CC2)C1 ZINC000414699344 304129481 /nfs/dbraw/zinc/12/94/81/304129481.db2.gz SZSSPMZLEPNTLR-KRWDZBQOSA-N 2 0 331.460 1.802 20 0 EDADRP COc1ccccc1[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414699965 304129527 /nfs/dbraw/zinc/12/95/27/304129527.db2.gz JZGOCYMABWPTBP-CVEARBPZSA-N 2 0 331.460 1.682 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@H](C)C[NH3+])CC1 ZINC000414732697 304134615 /nfs/dbraw/zinc/13/46/15/304134615.db2.gz URSVIWKNWJSQMS-GFCCVEGCSA-N 2 0 339.871 1.951 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000414740689 304135739 /nfs/dbraw/zinc/13/57/39/304135739.db2.gz RJEDFYFTUGQYRB-ZIAGYGMSSA-N 2 0 332.448 1.493 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H](C[NH2+]C)C2)CC1 ZINC000414739477 304135457 /nfs/dbraw/zinc/13/54/57/304135457.db2.gz QBGVJDAUMWXNHE-INIZCTEOSA-N 2 0 345.491 1.902 20 0 EDADRP CCOC(=O)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000191407236 138913253 /nfs/dbraw/zinc/91/32/53/138913253.db2.gz DFCLAPJAYWTPRP-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000566799984 306429210 /nfs/dbraw/zinc/42/92/10/306429210.db2.gz QMNIWQBTUYAFLX-GASCZTMLSA-N 2 0 332.448 1.434 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@@H]2C1 ZINC000264763499 284197184 /nfs/dbraw/zinc/19/71/84/284197184.db2.gz QPPLIUDUKWQAPZ-ZWKOTPCHSA-N 2 0 328.460 1.751 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C1CCC([NH3+])CC1 ZINC000415099322 304160240 /nfs/dbraw/zinc/16/02/40/304160240.db2.gz GSGXFQAEZXGIHN-UHFFFAOYSA-N 2 0 339.505 1.874 20 0 EDADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000415136222 304162944 /nfs/dbraw/zinc/16/29/44/304162944.db2.gz CJNHCJHTJQENIX-UHFFFAOYSA-N 2 0 327.428 1.946 20 0 EDADRP O=C1N[C@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142775 304163897 /nfs/dbraw/zinc/16/38/97/304163897.db2.gz SATGFRXCBLJIEJ-DLBZAZTESA-N 2 0 332.423 1.546 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236677428 139028402 /nfs/dbraw/zinc/02/84/02/139028402.db2.gz OLEPZBZEBRNEJQ-IBGZPJMESA-N 2 0 332.492 1.537 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C ZINC000186571373 296183480 /nfs/dbraw/zinc/18/34/80/296183480.db2.gz VMNRRHDWOVQYKM-NUWOQIAWSA-N 2 0 340.512 1.203 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000236921845 139035326 /nfs/dbraw/zinc/03/53/26/139035326.db2.gz HLWREPAPLUCNPF-GOSISDBHSA-N 2 0 332.492 1.390 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]([NH3+])CC(C)C)CC1 ZINC000236886558 139034131 /nfs/dbraw/zinc/03/41/31/139034131.db2.gz YZMGQFACBIZZMO-IBGZPJMESA-N 2 0 346.519 1.814 20 0 EDADRP CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000236901977 139034750 /nfs/dbraw/zinc/03/47/50/139034750.db2.gz OLXXLODYYGPFBA-BBRMVZONSA-N 2 0 336.455 1.882 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cncn3C)cc2)CC1 ZINC000236962841 139036707 /nfs/dbraw/zinc/03/67/07/139036707.db2.gz QADCAUHVGKVKJO-UHFFFAOYSA-N 2 0 327.476 1.847 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415169492 304169891 /nfs/dbraw/zinc/16/98/91/304169891.db2.gz WAYHNVSBLMQTQN-CVEARBPZSA-N 2 0 330.432 1.169 20 0 EDADRP C[NH2+]CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000237213456 139044660 /nfs/dbraw/zinc/04/46/60/139044660.db2.gz YMOZLVQVIJVHFG-UHFFFAOYSA-N 2 0 325.840 1.519 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237459691 139051761 /nfs/dbraw/zinc/05/17/61/139051761.db2.gz QAYUPAJDIRNCIZ-CQSZACIVSA-N 2 0 348.495 1.443 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237973871 139065530 /nfs/dbraw/zinc/06/55/30/139065530.db2.gz KCDPQOBIOAOTJG-MJGOQNOKSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000238056023 139067879 /nfs/dbraw/zinc/06/78/79/139067879.db2.gz PZXWZTRZCCONPE-ZWKOTPCHSA-N 2 0 347.528 1.762 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000238082181 139068410 /nfs/dbraw/zinc/06/84/10/139068410.db2.gz GUIYCOIGIXHISA-INIZCTEOSA-N 2 0 325.522 1.806 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)C1CCCCC1 ZINC000111847308 220207320 /nfs/dbraw/zinc/20/73/20/220207320.db2.gz BKUCOOWGDZSTDR-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000415272800 304182634 /nfs/dbraw/zinc/18/26/34/304182634.db2.gz QJXBIJHNMXGTCM-INIZCTEOSA-N 2 0 344.459 1.561 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000246416269 139107465 /nfs/dbraw/zinc/10/74/65/139107465.db2.gz LQKAGYDQWQRFTK-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415355588 304202409 /nfs/dbraw/zinc/20/24/09/304202409.db2.gz DLJIAMWWVNWPDB-CQSZACIVSA-N 2 0 332.448 1.193 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)C1 ZINC000415365053 304204728 /nfs/dbraw/zinc/20/47/28/304204728.db2.gz SZFVMSFHUPVFEN-HNNXBMFYSA-N 2 0 332.448 1.206 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000262835833 296268871 /nfs/dbraw/zinc/26/88/71/296268871.db2.gz SNEYHKXQHXVNNL-DLBZAZTESA-N 2 0 345.491 1.756 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000248398046 139161914 /nfs/dbraw/zinc/16/19/14/139161914.db2.gz MMJBRDLWLHZFJL-ZWKOTPCHSA-N 2 0 332.492 1.432 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248445002 139164231 /nfs/dbraw/zinc/16/42/31/139164231.db2.gz MHLYWZYLUYYOOR-ZWKOTPCHSA-N 2 0 346.475 1.147 20 0 EDADRP CNC(=O)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821539 218172128 /nfs/dbraw/zinc/17/21/28/218172128.db2.gz AIYVGRZMDLDPMQ-UHFFFAOYSA-N 2 0 333.436 1.076 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000252449876 139204435 /nfs/dbraw/zinc/20/44/35/139204435.db2.gz PPDZCUOIHVBVBQ-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccccc3)c2)C1 ZINC000261603335 139209938 /nfs/dbraw/zinc/20/99/38/139209938.db2.gz CALXHHNINXMEMD-MRXNPFEDSA-N 2 0 327.432 1.159 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000261634271 139213010 /nfs/dbraw/zinc/21/30/10/139213010.db2.gz DJAGGUQNKRJCDC-SJORKVTESA-N 2 0 337.489 1.925 20 0 EDADRP Cc1ccc2cc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)ccc2n1 ZINC000261661850 139215357 /nfs/dbraw/zinc/21/53/57/139215357.db2.gz KSBFVJQTKGCZJP-KRWDZBQOSA-N 2 0 326.444 1.830 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)C1 ZINC000261701309 139218868 /nfs/dbraw/zinc/21/88/68/139218868.db2.gz KCUJPWSECOOLMS-LBPRGKRZSA-N 2 0 335.839 1.275 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000569111319 306496917 /nfs/dbraw/zinc/49/69/17/306496917.db2.gz PYXXSVOVMPONRH-MRXNPFEDSA-N 2 0 345.409 1.837 20 0 EDADRP O=C(CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1 ZINC000261862778 139232252 /nfs/dbraw/zinc/23/22/52/139232252.db2.gz KNWXBMPSCTWSJE-MRXNPFEDSA-N 2 0 336.867 1.648 20 0 EDADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000261902651 139235315 /nfs/dbraw/zinc/23/53/15/139235315.db2.gz PDGQNUGRLXWSQU-MRXNPFEDSA-N 2 0 336.867 1.648 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261904232 139235587 /nfs/dbraw/zinc/23/55/87/139235587.db2.gz FMUJQDARXCHIQL-SFHVURJKSA-N 2 0 343.471 1.972 20 0 EDADRP CCC(CC)[C@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261908546 139235827 /nfs/dbraw/zinc/23/58/27/139235827.db2.gz WDZMDUVTJPMMKY-RDJZCZTQSA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+][C@@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000261913502 139236418 /nfs/dbraw/zinc/23/64/18/139236418.db2.gz XXQGGZORRKPERF-GOSISDBHSA-N 2 0 331.460 1.653 20 0 EDADRP C[C@@]([NH3+])(C(=O)N[C@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000261988190 139242154 /nfs/dbraw/zinc/24/21/54/139242154.db2.gz QROBACVEPBAIKL-OCCSQVGLSA-N 2 0 326.238 1.477 20 0 EDADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000261991561 139242268 /nfs/dbraw/zinc/24/22/68/139242268.db2.gz MFNNRLJTFGXLFP-GFCCVEGCSA-N 2 0 345.447 1.505 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261996712 139242797 /nfs/dbraw/zinc/24/27/97/139242797.db2.gz UQJAAHKVGLGZJC-AWEZNQCLSA-N 2 0 325.478 1.498 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415491317 304224961 /nfs/dbraw/zinc/22/49/61/304224961.db2.gz DFDSLMNHNGGVSD-RDJZCZTQSA-N 2 0 346.475 1.808 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000414918858 250887449 /nfs/dbraw/zinc/88/74/49/250887449.db2.gz ZOKLZKVXGYKGJS-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000414949074 250896795 /nfs/dbraw/zinc/89/67/95/250896795.db2.gz ZNQTVQWRCXPWIA-YOEHRIQHSA-N 2 0 346.475 1.676 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1)[C@@H]1CCC[NH2+]1 ZINC000262128175 139253229 /nfs/dbraw/zinc/25/32/29/139253229.db2.gz CUEMRZGXOQOIOV-YJBOKZPZSA-N 2 0 349.450 1.785 20 0 EDADRP c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262137829 139254274 /nfs/dbraw/zinc/25/42/74/139254274.db2.gz YVIDPBVNGNVNMW-GOSISDBHSA-N 2 0 326.400 1.991 20 0 EDADRP c1[nH]nc(-c2ccc3c(c2)OCO3)c1CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262137830 139254294 /nfs/dbraw/zinc/25/42/94/139254294.db2.gz YVIDPBVNGNVNMW-SFHVURJKSA-N 2 0 326.400 1.991 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415556969 251009458 /nfs/dbraw/zinc/00/94/58/251009458.db2.gz SFOPVNWVXCOUTR-CYBMUJFWSA-N 2 0 332.448 1.115 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccs1 ZINC000415995426 251044308 /nfs/dbraw/zinc/04/43/08/251044308.db2.gz MZUJALGVDBBWAW-KOLCDFICSA-N 2 0 338.399 1.930 20 0 EDADRP O=C(CC[NH+]1CCC([C@H](O)c2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262274039 139265615 /nfs/dbraw/zinc/26/56/15/139265615.db2.gz YQDFTLNJAOKWQL-LJQANCHMSA-N 2 0 331.460 1.254 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)cc1 ZINC000416878897 251116556 /nfs/dbraw/zinc/11/65/56/251116556.db2.gz FJBZNJAEKQLLOR-UHFFFAOYSA-N 2 0 348.491 1.788 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000417009613 251128626 /nfs/dbraw/zinc/12/86/26/251128626.db2.gz NSYDLPTVGCPSHY-ROUUACIJSA-N 2 0 348.491 1.309 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000417009155 251129482 /nfs/dbraw/zinc/12/94/82/251129482.db2.gz MXYFWULGRJBNRN-GOSISDBHSA-N 2 0 332.492 1.991 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376409547 284880969 /nfs/dbraw/zinc/88/09/69/284880969.db2.gz AGMXSVQDRVUSNP-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP COCC1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417002638 251126583 /nfs/dbraw/zinc/12/65/83/251126583.db2.gz AUAACJOAUYQUKT-CVEARBPZSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417024469 251139231 /nfs/dbraw/zinc/13/92/31/251139231.db2.gz QKFIBGSTUVHILF-SJLPKXTDSA-N 2 0 347.507 1.272 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262339882 139271477 /nfs/dbraw/zinc/27/14/77/139271477.db2.gz HUJXIMNIAWWKLE-MRXNPFEDSA-N 2 0 335.473 1.552 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000417318432 251157794 /nfs/dbraw/zinc/15/77/94/251157794.db2.gz YXRYDSFDIRKFGP-BZUAXINKSA-N 2 0 334.464 1.913 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000262341105 139271523 /nfs/dbraw/zinc/27/15/23/139271523.db2.gz HWDFZWOGNRUWIV-PBHICJAKSA-N 2 0 331.460 1.804 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000417522355 251182036 /nfs/dbraw/zinc/18/20/36/251182036.db2.gz GEZWCSWZQMYETC-QGZVFWFLSA-N 2 0 334.464 1.206 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000417520166 251183271 /nfs/dbraw/zinc/18/32/71/251183271.db2.gz WSSIXZXDZVRDHW-MSOLQXFVSA-N 2 0 348.491 1.829 20 0 EDADRP COCC1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000262376319 139274413 /nfs/dbraw/zinc/27/44/13/139274413.db2.gz NCNFURSNACZOKB-UHFFFAOYSA-N 2 0 349.475 1.259 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@H](C)C1 ZINC000417664140 251218584 /nfs/dbraw/zinc/21/85/84/251218584.db2.gz ATHNDMYXFFWAPF-WCXIOVBPSA-N 2 0 340.512 1.421 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417617712 251207010 /nfs/dbraw/zinc/20/70/10/251207010.db2.gz CJMFHJBJLZZLFQ-WBVHZDCISA-N 2 0 348.491 1.875 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(CCC[NH3+])CC2CCCC2)C1 ZINC000417701482 251233775 /nfs/dbraw/zinc/23/37/75/251233775.db2.gz HUEIFHJROBXRHM-MRXNPFEDSA-N 2 0 326.485 1.258 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000417667222 251221182 /nfs/dbraw/zinc/22/11/82/251221182.db2.gz GFUNCOBGTIJKRP-OAGGEKHMSA-N 2 0 326.485 1.175 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000417677657 251225258 /nfs/dbraw/zinc/22/52/58/251225258.db2.gz IBEGTHQXQQNJBH-RBSFLKMASA-N 2 0 328.501 1.501 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000417831415 251288783 /nfs/dbraw/zinc/28/87/83/251288783.db2.gz QSOOZYLHHSDSBV-TZMCWYRMSA-N 2 0 328.420 1.777 20 0 EDADRP C[C@]([NH3+])(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000417845056 251295515 /nfs/dbraw/zinc/29/55/15/251295515.db2.gz RQWMYCWOKJCVCQ-FAFZWHIHSA-N 2 0 330.476 1.193 20 0 EDADRP COCC1(CNC(=O)NCCC[NH+](C(C)C)C(C)C)CC[NH2+]CC1 ZINC000417789415 251271864 /nfs/dbraw/zinc/27/18/64/251271864.db2.gz GSWDNPTXCZDLOY-UHFFFAOYSA-N 2 0 342.528 1.811 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000417806705 251279089 /nfs/dbraw/zinc/27/90/89/251279089.db2.gz JEYOKRAVZAFXND-ZBFHGGJFSA-N 2 0 326.485 1.316 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000417845057 251295930 /nfs/dbraw/zinc/29/59/30/251295930.db2.gz RQWMYCWOKJCVCQ-TVPLGVNVSA-N 2 0 330.476 1.193 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000417942917 251317284 /nfs/dbraw/zinc/31/72/84/251317284.db2.gz CCCIMNCMESRGBN-UHFFFAOYSA-N 2 0 349.479 1.163 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418201838 251356443 /nfs/dbraw/zinc/35/64/43/251356443.db2.gz HXRACEADTRWSGI-NORZTCDRSA-N 2 0 340.418 1.660 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418638854 251382722 /nfs/dbraw/zinc/38/27/22/251382722.db2.gz LFMJQTVPGVAWNT-UHFFFAOYSA-N 2 0 328.460 1.822 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262631382 139291558 /nfs/dbraw/zinc/29/15/58/139291558.db2.gz FGTHCPBZCKDQFV-RYRKJORJSA-N 2 0 332.492 1.465 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262654217 139293317 /nfs/dbraw/zinc/29/33/17/139293317.db2.gz SXQWWVCMTKJOIE-ROUUACIJSA-N 2 0 344.503 1.832 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000262654784 139293377 /nfs/dbraw/zinc/29/33/77/139293377.db2.gz WSBHGOGIBNQETA-MOPGFXCFSA-N 2 0 342.487 1.401 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)c1 ZINC000262658695 139293893 /nfs/dbraw/zinc/29/38/93/139293893.db2.gz VZQJHCUPUZDOJK-OIISXLGYSA-N 2 0 344.459 1.660 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419936378 251562560 /nfs/dbraw/zinc/56/25/60/251562560.db2.gz UDCNLZDUZKPSRI-INMHGKMJSA-N 2 0 346.475 1.039 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC[C@@H](C)[NH3+])CC1 ZINC000262713676 139298260 /nfs/dbraw/zinc/29/82/60/139298260.db2.gz DCMBOFYOVWSNRY-MRXNPFEDSA-N 2 0 332.492 1.568 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420327350 251673769 /nfs/dbraw/zinc/67/37/69/251673769.db2.gz YLTLFNBXLXBAMV-MRXNPFEDSA-N 3 0 338.540 1.402 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000262799097 139304507 /nfs/dbraw/zinc/30/45/07/139304507.db2.gz DWAAUFQOHREABB-CRAIPNDOSA-N 2 0 330.476 1.304 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000422879000 252009467 /nfs/dbraw/zinc/00/94/67/252009467.db2.gz JXHPSWLHXBVIMQ-GOSISDBHSA-N 2 0 330.476 1.306 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@H]3COCCN3)cn2)CC1 ZINC000422882535 252009827 /nfs/dbraw/zinc/00/98/27/252009827.db2.gz SNGBLXIUQSVEKU-AEFFLSMTSA-N 2 0 347.507 1.080 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422897068 252014974 /nfs/dbraw/zinc/01/49/74/252014974.db2.gz BJKXTLXBVPNFKQ-ZIAGYGMSSA-N 2 0 327.494 1.931 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423070978 252033125 /nfs/dbraw/zinc/03/31/25/252033125.db2.gz DSLVTIDDMVNAQH-ROUUACIJSA-N 2 0 337.533 1.948 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320361 252046571 /nfs/dbraw/zinc/04/65/71/252046571.db2.gz GDBWLNYMBZRYNO-RDJZCZTQSA-N 2 0 339.505 1.873 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344336 252047432 /nfs/dbraw/zinc/04/74/32/252047432.db2.gz XQTXYOFNNYJVLE-XHSDSOJGSA-N 2 0 347.507 1.975 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)cc1F ZINC000423855821 252091839 /nfs/dbraw/zinc/09/18/39/252091839.db2.gz ZECDPMITXUFZMS-CQSZACIVSA-N 2 0 325.453 1.599 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000423858059 252093908 /nfs/dbraw/zinc/09/39/08/252093908.db2.gz YTUIPHWZKSDKBH-WDSOQIARSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000424020509 252115574 /nfs/dbraw/zinc/11/55/74/252115574.db2.gz PDQJJRWPEUCIFG-AEFFLSMTSA-N 2 0 345.487 1.911 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424150907 252145318 /nfs/dbraw/zinc/14/53/18/252145318.db2.gz ZVUPXBDZVJZHCS-GJZGRUSLSA-N 2 0 333.480 1.681 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424158135 252148094 /nfs/dbraw/zinc/14/80/94/252148094.db2.gz QNMHVCINLLHPKS-MRXNPFEDSA-N 2 0 342.447 1.411 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)N1CC[NH+](C)CC1 ZINC000424159027 252149239 /nfs/dbraw/zinc/14/92/39/252149239.db2.gz SBVBXWODAROPFA-GFCCVEGCSA-N 2 0 327.375 1.734 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180290 252154654 /nfs/dbraw/zinc/15/46/54/252154654.db2.gz NXCIITUZBPAEHA-IRXDYDNUSA-N 2 0 325.497 1.853 20 0 EDADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000424138273 252138184 /nfs/dbraw/zinc/13/81/84/252138184.db2.gz DBKQMAGIDSFDMC-JKSUJKDBSA-N 2 0 330.432 1.787 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000424447307 252235204 /nfs/dbraw/zinc/23/52/04/252235204.db2.gz LDEZURHKZJQFLC-UHFFFAOYSA-N 2 0 332.448 1.383 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000097049371 285033709 /nfs/dbraw/zinc/03/37/09/285033709.db2.gz GZIIVDPIPMVEGX-IKGGRYGDSA-N 2 0 338.496 1.223 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150366 285032264 /nfs/dbraw/zinc/03/22/64/285032264.db2.gz JQIUARFRDRGKCX-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)c1 ZINC000263225132 139329349 /nfs/dbraw/zinc/32/93/49/139329349.db2.gz MQMBZDSSDBVEMK-MAUKXSAKSA-N 2 0 332.448 1.646 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]([NH3+])COC ZINC000263278749 139332832 /nfs/dbraw/zinc/33/28/32/139332832.db2.gz ZIZNQMBMNSNOPH-CYBMUJFWSA-N 2 0 333.436 1.290 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246953403 285200989 /nfs/dbraw/zinc/20/09/89/285200989.db2.gz PGIJRMKURDFMQX-MSOLQXFVSA-N 2 0 336.524 1.489 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H]2C)cc1 ZINC000415751217 304264974 /nfs/dbraw/zinc/26/49/74/304264974.db2.gz VPYQAQDXSUSOHY-CZUORRHYSA-N 2 0 332.448 1.415 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC(C)(C)CCC[NH3+] ZINC000415752698 304265221 /nfs/dbraw/zinc/26/52/21/304265221.db2.gz BKMXJYGLESZNDL-UHFFFAOYSA-N 2 0 334.464 1.629 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494607753 255255736 /nfs/dbraw/zinc/25/57/36/255255736.db2.gz NAZBTCRPRDNZCS-CABCVRRESA-N 2 0 329.485 1.942 20 0 EDADRP CN(C[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1)C(=O)OC(C)(C)C ZINC000496169411 255360350 /nfs/dbraw/zinc/36/03/50/255360350.db2.gz IVIGSKCYPWXCJV-OAHLLOKOSA-N 2 0 343.512 1.926 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@H+](C)C1CC1 ZINC000118127941 221126670 /nfs/dbraw/zinc/12/66/70/221126670.db2.gz QQOZXVGISVEFQZ-CQSZACIVSA-N 2 0 346.475 1.328 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418443776 285314189 /nfs/dbraw/zinc/31/41/89/285314189.db2.gz NWGMYBQEIJNJKE-OAHLLOKOSA-N 2 0 327.517 1.075 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735774 285318526 /nfs/dbraw/zinc/31/85/26/285318526.db2.gz LJOPAIOVDBIDHX-HOTGVXAUSA-N 2 0 339.528 1.042 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cscn1 ZINC000264119155 139381399 /nfs/dbraw/zinc/38/13/99/139381399.db2.gz JSZSUTJQMMXCAM-UHFFFAOYSA-N 2 0 331.445 1.480 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)COCc1ccco1)C1CC[NH+](C)CC1 ZINC000119311985 221291434 /nfs/dbraw/zinc/29/14/34/221291434.db2.gz AGQWTDNZUBZYKQ-KRWDZBQOSA-N 2 0 339.480 1.115 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415837172 304279810 /nfs/dbraw/zinc/27/98/10/304279810.db2.gz FRLGEDBLGVASDK-UVBJJODRSA-N 2 0 330.432 1.122 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000264309095 139396014 /nfs/dbraw/zinc/39/60/14/139396014.db2.gz ZLUUCFBWDZDXNO-AEFFLSMTSA-N 2 0 336.476 1.451 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)C1 ZINC000415879523 304283439 /nfs/dbraw/zinc/28/34/39/304283439.db2.gz POUINFJVDVIPTH-AWEZNQCLSA-N 2 0 332.448 1.274 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)[C@H](C)C1 ZINC000424146402 285394700 /nfs/dbraw/zinc/39/47/00/285394700.db2.gz PPQHJEZFJWAMPF-FMKPAKJESA-N 2 0 334.468 1.005 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000415924021 304285560 /nfs/dbraw/zinc/28/55/60/304285560.db2.gz QHSUVYPQTFAHQC-AWEZNQCLSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000415923637 304285573 /nfs/dbraw/zinc/28/55/73/304285573.db2.gz WVPGGAWBTDLIDN-QGZVFWFLSA-N 2 0 334.464 1.764 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000415929436 304285951 /nfs/dbraw/zinc/28/59/51/304285951.db2.gz HCHUZUICBFNESX-KRWDZBQOSA-N 2 0 334.464 1.764 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000269967987 140026111 /nfs/dbraw/zinc/02/61/11/140026111.db2.gz KGKSKKWVWLGUSC-LJQANCHMSA-N 2 0 333.476 1.458 20 0 EDADRP C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270670490 140144634 /nfs/dbraw/zinc/14/46/34/140144634.db2.gz WAVVIJKSGUHUDR-DOTOQJQBSA-N 2 0 347.463 1.070 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000331665195 141064327 /nfs/dbraw/zinc/06/43/27/141064327.db2.gz XYFDTWCPIPAQEK-ZDUSSCGKSA-N 2 0 333.432 1.666 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000332013754 141110693 /nfs/dbraw/zinc/11/06/93/141110693.db2.gz UEGHGDNFKRUCAX-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H](C)[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000332138828 141129795 /nfs/dbraw/zinc/12/97/95/141129795.db2.gz MRFRCVKUPCFBQO-DOTOQJQBSA-N 2 0 345.491 1.948 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@H]1[NH3+] ZINC000332250208 141146874 /nfs/dbraw/zinc/14/68/74/141146874.db2.gz CJVXVZDVGXJTRT-SUMWQHHRSA-N 2 0 334.439 1.779 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000333136159 141269892 /nfs/dbraw/zinc/26/98/92/141269892.db2.gz CIBCIHUWRRZHCL-DOTOQJQBSA-N 2 0 344.459 1.033 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)[C@H]2C1 ZINC000333322047 141299123 /nfs/dbraw/zinc/29/91/23/141299123.db2.gz NDOZBGJOHVLCDN-BBRMVZONSA-N 2 0 330.432 1.727 20 0 EDADRP COCc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CC2 ZINC000333341998 141302558 /nfs/dbraw/zinc/30/25/58/141302558.db2.gz YHPIRUVLSNVAHP-LVQVYYBASA-N 2 0 333.480 1.640 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000333495822 141326550 /nfs/dbraw/zinc/32/65/50/141326550.db2.gz DVKSCKRLXRHGIL-ZWKOTPCHSA-N 2 0 342.487 1.917 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661608 141352210 /nfs/dbraw/zinc/35/22/10/141352210.db2.gz LPRFVTSUGVLJMV-BFWZDYSYSA-N 2 0 349.523 1.081 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000333766418 141376435 /nfs/dbraw/zinc/37/64/35/141376435.db2.gz BIEBKVWYSRBGML-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000416443769 304318945 /nfs/dbraw/zinc/31/89/45/304318945.db2.gz ZVJSFKOMHKMKLS-MGPQQGTHSA-N 2 0 340.493 1.499 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCOC2(C)C)CC1 ZINC000340256383 142321749 /nfs/dbraw/zinc/32/17/49/142321749.db2.gz GZHPFYNZHOMYQH-OAHLLOKOSA-N 2 0 325.497 1.770 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[NH+](C)C)cc1 ZINC000346282817 143186705 /nfs/dbraw/zinc/18/67/05/143186705.db2.gz NAZXHBFKHRGXDP-QZTJIDSGSA-N 2 0 333.476 1.823 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)[N@H+](C)C1 ZINC000346698247 143233722 /nfs/dbraw/zinc/23/37/22/143233722.db2.gz KJHONFFMGVAJSV-HZPDHXFCSA-N 2 0 349.475 1.418 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000346816275 143248459 /nfs/dbraw/zinc/24/84/59/143248459.db2.gz CZZDNNUIRGSMDT-YTQUADARSA-N 3 0 328.504 1.998 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000347067965 143278500 /nfs/dbraw/zinc/27/85/00/143278500.db2.gz KTVUOICZEVXSPU-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP COCCOc1cc2c(cc1C[NH+]1CCC([C@@H](C)[NH3+])CC1)OCO2 ZINC000347105404 143283226 /nfs/dbraw/zinc/28/32/26/143283226.db2.gz NCNUJURZAPEZKZ-CYBMUJFWSA-N 2 0 336.432 2.000 20 0 EDADRP COc1ccccc1/C=C\C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227833 143297567 /nfs/dbraw/zinc/29/75/67/143297567.db2.gz WMWXGDBPVCMEQN-NCRRVARUSA-N 2 0 343.471 1.852 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCOC1 ZINC000347258318 143301085 /nfs/dbraw/zinc/30/10/85/143301085.db2.gz CCWKZSWTHJGGCM-SZMVWBNQSA-N 2 0 333.476 1.290 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cnn(C)c1 ZINC000347261088 143301377 /nfs/dbraw/zinc/30/13/77/143301377.db2.gz FMLAFZYCOLRFCN-MAUKXSAKSA-N 2 0 343.475 1.360 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1OC ZINC000347384396 143315342 /nfs/dbraw/zinc/31/53/42/143315342.db2.gz AAYPJSCYRHUTRZ-MRXNPFEDSA-N 2 0 348.491 1.887 20 0 EDADRP CC[N@H+](CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864364 143371792 /nfs/dbraw/zinc/37/17/92/143371792.db2.gz FNDGWUFBJCRWQE-BEFAXECRSA-N 2 0 347.507 1.746 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1noc2c1CCCC2 ZINC000348024453 143392543 /nfs/dbraw/zinc/39/25/43/143392543.db2.gz XIYOCPSLZYIPHY-UHFFFAOYSA-N 2 0 336.480 1.899 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000341417784 292168393 /nfs/dbraw/zinc/16/83/93/292168393.db2.gz BPUPFVCBWKBJNX-AWEZNQCLSA-N 2 0 328.501 1.515 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000416858321 304352352 /nfs/dbraw/zinc/35/23/52/304352352.db2.gz YXYOUTPYAVXQDG-NJAFHUGGSA-N 2 0 332.492 1.928 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000416857204 304352438 /nfs/dbraw/zinc/35/24/38/304352438.db2.gz YAJPICDQWTYWDK-IRXDYDNUSA-N 2 0 346.475 1.869 20 0 EDADRP Cc1cnn(C)c1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000352761807 149154905 /nfs/dbraw/zinc/15/49/05/149154905.db2.gz ZSMLESRNRLECLN-KRWDZBQOSA-N 2 0 343.475 1.107 20 0 EDADRP CCOC1CC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000352872340 149197581 /nfs/dbraw/zinc/19/75/81/149197581.db2.gz MIKLXBVRXCPSCW-CGZBRXJRSA-N 2 0 325.497 1.676 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000353089926 149281511 /nfs/dbraw/zinc/28/15/11/149281511.db2.gz ZYJHNSVXJLDFBL-INIZCTEOSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416960158 304355745 /nfs/dbraw/zinc/35/57/45/304355745.db2.gz ZNDNZWBEBPHGHZ-QKPAOTATSA-N 2 0 326.485 1.397 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)C3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000369925947 155236273 /nfs/dbraw/zinc/23/62/73/155236273.db2.gz GTJOIJZWCOQOAF-WBVHZDCISA-N 2 0 333.480 1.261 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000354415175 149802084 /nfs/dbraw/zinc/80/20/84/149802084.db2.gz UVANHKVJKYRWJH-UHFFFAOYSA-N 2 0 332.448 1.286 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000417029576 304362382 /nfs/dbraw/zinc/36/23/82/304362382.db2.gz CCQGITRMDDLUNK-XWTMOSNGSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417030881 304362596 /nfs/dbraw/zinc/36/25/96/304362596.db2.gz WYAUCDIHDGPSHV-SJORKVTESA-N 2 0 347.507 1.229 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417036344 304363914 /nfs/dbraw/zinc/36/39/14/304363914.db2.gz HPJJYXHGRUTXDP-IRXDYDNUSA-N 2 0 339.528 1.221 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000417046610 304366201 /nfs/dbraw/zinc/36/62/01/304366201.db2.gz ZTDDAKXBEMBEHZ-OAGGEKHMSA-N 2 0 326.485 1.032 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000357658985 151106029 /nfs/dbraw/zinc/10/60/29/151106029.db2.gz CINWVZJDJZMKID-YESZJQIVSA-N 2 0 342.528 1.905 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000357951202 151208030 /nfs/dbraw/zinc/20/80/30/151208030.db2.gz BZPZQTDECQQQEP-HOCLYGCPSA-N 2 0 330.542 1.843 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000358004451 151231554 /nfs/dbraw/zinc/23/15/54/151231554.db2.gz PHKQIOHQCQHYAT-UHFFFAOYSA-N 2 0 328.526 1.597 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358142811 151286791 /nfs/dbraw/zinc/28/67/91/151286791.db2.gz RLEXAUHOCNVCCI-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]([NH2+]C[C@@]1(O)CCN(C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000358255140 151318341 /nfs/dbraw/zinc/31/83/41/151318341.db2.gz QCDLHCPPIFJVES-KXBFYZLASA-N 2 0 344.459 1.716 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000358495333 151395377 /nfs/dbraw/zinc/39/53/77/151395377.db2.gz HXUKZYVBEGOGEQ-ZACQAIPSSA-N 2 0 339.528 1.137 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N[C@H]1CCOc2ccccc21 ZINC000358498766 151395715 /nfs/dbraw/zinc/39/57/15/151395715.db2.gz MWQCJDCPRRMISQ-INIZCTEOSA-N 2 0 329.444 1.702 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC000360695079 152156640 /nfs/dbraw/zinc/15/66/40/152156640.db2.gz NWIPLYVRKOXVFT-AWEZNQCLSA-N 2 0 328.526 1.549 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164613 152323637 /nfs/dbraw/zinc/32/36/37/152323637.db2.gz RKEADWZAODFQFJ-ROUUACIJSA-N 2 0 341.540 1.824 20 0 EDADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184905 152328901 /nfs/dbraw/zinc/32/89/01/152328901.db2.gz ZOADWPLQRCHOOY-GDBMZVCRSA-N 2 0 331.460 1.955 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C[NH+]1CCCC1 ZINC000417153988 304378463 /nfs/dbraw/zinc/37/84/63/304378463.db2.gz JXZOLMSGJRYGNO-CVEARBPZSA-N 2 0 338.496 1.115 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000362396770 152696704 /nfs/dbraw/zinc/69/67/04/152696704.db2.gz PUHODEOKAHGMNZ-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)(C)OC(=O)CCCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000363652552 153023019 /nfs/dbraw/zinc/02/30/19/153023019.db2.gz QLHXEVQHXJXODC-HNNXBMFYSA-N 2 0 339.480 1.522 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCN1CCOCC1(C)C ZINC000363784274 153055533 /nfs/dbraw/zinc/05/55/33/153055533.db2.gz AVDCCAWMUNUUCY-KZNAEPCWSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)C[C@@H]2CCn3ccnc3C2)C1 ZINC000364158184 153159190 /nfs/dbraw/zinc/15/91/90/153159190.db2.gz BZGLRQIZAFJFNS-HZPDHXFCSA-N 2 0 333.480 1.819 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000364250334 153186184 /nfs/dbraw/zinc/18/61/84/153186184.db2.gz SXKYKWXKOZROCS-SDKBWNRFSA-N 2 0 337.508 1.842 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1 ZINC000364302740 153200747 /nfs/dbraw/zinc/20/07/47/153200747.db2.gz KQNIUOBNYFBFSF-SQNIBIBYSA-N 2 0 327.403 1.649 20 0 EDADRP [NH3+]Cc1cc(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)co1 ZINC000364565437 153272963 /nfs/dbraw/zinc/27/29/63/153272963.db2.gz ZOHBYWAEHCMQEU-KRWDZBQOSA-N 2 0 329.400 1.369 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000417304708 304391629 /nfs/dbraw/zinc/39/16/29/304391629.db2.gz ZUOQABBMJJCUSP-AWEZNQCLSA-N 2 0 334.464 1.616 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2C1 ZINC000367901867 154317855 /nfs/dbraw/zinc/31/78/55/154317855.db2.gz HMEVFDQKTZIEEI-OXJNMPFZSA-N 2 0 344.503 1.705 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CC[C@H](CC(N)=O)C3)c2cc1C ZINC000367993513 154360342 /nfs/dbraw/zinc/36/03/42/154360342.db2.gz LZAQOCHSFAUWRW-CABCVRRESA-N 2 0 330.432 1.211 20 0 EDADRP [NH2+]=C(NO)[C@H]1CCCCN1C/C=C/CN1CCCC[C@H]1C(=[NH2+])NO ZINC000368525539 154595354 /nfs/dbraw/zinc/59/53/54/154595354.db2.gz PGCWCIWTCXNDFT-DLPZHFSESA-N 2 0 338.456 1.164 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417478538 304398995 /nfs/dbraw/zinc/39/89/95/304398995.db2.gz IPTRNSHRJAJKSY-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000371607202 156027450 /nfs/dbraw/zinc/02/74/50/156027450.db2.gz ZUGFXOAWMLZRTA-HMQMGEFJSA-N 2 0 338.496 1.269 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000371775370 156100107 /nfs/dbraw/zinc/10/01/07/156100107.db2.gz XXQNTRSFLNRGRR-HCXYKTFWSA-N 2 0 343.471 1.344 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417505703 304401083 /nfs/dbraw/zinc/40/10/83/304401083.db2.gz KJRQTSGPADWQAU-OAHLLOKOSA-N 2 0 346.475 1.147 20 0 EDADRP O=S(=O)(CC[NH+]1CC[C@H](C2CC2)C1)CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000372334846 156339907 /nfs/dbraw/zinc/33/99/07/156339907.db2.gz SYNFVWAUFUBBCD-ROUUACIJSA-N 2 0 340.533 1.865 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000417530948 304403649 /nfs/dbraw/zinc/40/36/49/304403649.db2.gz SWVHZZBQZDZUIG-FUHWJXTLSA-N 2 0 348.491 1.596 20 0 EDADRP C[C@H](O)COC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373860781 157037811 /nfs/dbraw/zinc/03/78/11/157037811.db2.gz VFNOLFKATNUROB-ARFHVFGLSA-N 2 0 342.480 1.122 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374155868 157169028 /nfs/dbraw/zinc/16/90/28/157169028.db2.gz BYEKREJHNFBSBB-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)C2)CC1 ZINC000575377950 306668944 /nfs/dbraw/zinc/66/89/44/306668944.db2.gz VHAQFEIHKFZVHV-VAMGGRTRSA-N 2 0 331.504 1.911 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000376069771 157724657 /nfs/dbraw/zinc/72/46/57/157724657.db2.gz OJWMYYUVABCOFT-INIZCTEOSA-N 2 0 331.464 1.508 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)c1cccn1C1CC[NH2+]CC1 ZINC000378201404 158107679 /nfs/dbraw/zinc/10/76/79/158107679.db2.gz JMFFUBZGMLVXAT-UHFFFAOYSA-N 2 0 334.464 1.255 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000378202713 158107691 /nfs/dbraw/zinc/10/76/91/158107691.db2.gz HJEPLBASJMDPAZ-SFHVURJKSA-N 2 0 337.439 1.725 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000378207485 158110046 /nfs/dbraw/zinc/11/00/46/158110046.db2.gz RURUNPBKTKYUNW-SQNIBIBYSA-N 2 0 330.476 1.219 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000576154667 306679371 /nfs/dbraw/zinc/67/93/71/306679371.db2.gz HBKOSLSAJRKTIL-OAHLLOKOSA-N 2 0 333.480 1.796 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417920928 304431267 /nfs/dbraw/zinc/43/12/67/304431267.db2.gz ZFPCUOLJVCTADF-IRXDYDNUSA-N 2 0 338.496 1.196 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112273541 286833089 /nfs/dbraw/zinc/83/30/89/286833089.db2.gz FCRWGVCZGWAJTC-INIZCTEOSA-N 2 0 345.491 1.438 20 0 EDADRP C[NH+](C[C@@H](O)CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000352365285 162142411 /nfs/dbraw/zinc/14/24/11/162142411.db2.gz PVDLFSSGKKIVFL-PKOBYXMFSA-N 2 0 332.492 1.290 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417985468 304442636 /nfs/dbraw/zinc/44/26/36/304442636.db2.gz NDQXTMCKPXZMOO-MRXNPFEDSA-N 2 0 348.491 1.692 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000418025282 304448234 /nfs/dbraw/zinc/44/82/34/304448234.db2.gz UWIILUOGILGLML-QGZVFWFLSA-N 2 0 326.485 1.130 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000073527321 287261050 /nfs/dbraw/zinc/26/10/50/287261050.db2.gz LYCHJNQJPAOVKE-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCSCC1 ZINC000073976175 287267084 /nfs/dbraw/zinc/26/70/84/287267084.db2.gz WXOJBXPMLIHDMN-INIZCTEOSA-N 2 0 342.553 1.940 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000074169641 287268828 /nfs/dbraw/zinc/26/88/28/287268828.db2.gz ZCJYHTLEJAYJNG-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP COCC1(CNC(=O)NCC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000418284491 304474261 /nfs/dbraw/zinc/47/42/61/304474261.db2.gz MXBCOMZQPWIEDV-UHFFFAOYSA-N 2 0 326.485 1.354 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000158915506 225109159 /nfs/dbraw/zinc/10/91/59/225109159.db2.gz ZJVKAXVOIYHALL-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000418505620 304505058 /nfs/dbraw/zinc/50/50/58/304505058.db2.gz FSQWDVLCAFQJAR-QGZVFWFLSA-N 2 0 340.512 1.376 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194095585 273000292 /nfs/dbraw/zinc/00/02/92/273000292.db2.gz RIGBPDSTYHSZCD-QGZVFWFLSA-N 2 0 334.508 1.988 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000195145387 267883612 /nfs/dbraw/zinc/88/36/12/267883612.db2.gz WZSIAFXOFKRPAS-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000273613877 268064649 /nfs/dbraw/zinc/06/46/49/268064649.db2.gz RWBGBNWSTZBDOS-UHFFFAOYSA-N 2 0 348.447 1.153 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000274767953 268201756 /nfs/dbraw/zinc/20/17/56/268201756.db2.gz JEBKWCFNMMBXOI-APWZRJJASA-N 2 0 345.487 1.516 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000277422360 273195045 /nfs/dbraw/zinc/19/50/45/273195045.db2.gz AWLCGMIAFZJONO-AWEZNQCLSA-N 2 0 337.439 1.913 20 0 EDADRP Cc1nccn1CCCN(C)Cc1nnnn1CC1CCOCC1 ZINC000277758003 273224064 /nfs/dbraw/zinc/22/40/64/273224064.db2.gz QBCNJZNFKOMXRU-UHFFFAOYSA-N 2 0 333.440 1.127 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NCC1(N2CCOCC2)CC1 ZINC000277945937 273236844 /nfs/dbraw/zinc/23/68/44/273236844.db2.gz ORFRCVZTJOFNEO-UHFFFAOYSA-N 2 0 347.459 1.222 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)c1ccc(F)cc1 ZINC000279774170 273326295 /nfs/dbraw/zinc/32/62/95/273326295.db2.gz BOZDWSBHTJNFDP-KRWDZBQOSA-N 2 0 334.439 1.990 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280790538 273398752 /nfs/dbraw/zinc/39/87/52/273398752.db2.gz LBGPJEAPLCYNOR-CEXWTWQISA-N 2 0 342.487 1.854 20 0 EDADRP COc1ccccc1-n1nccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000281687750 273513134 /nfs/dbraw/zinc/51/31/34/273513134.db2.gz PABDZXZIFRDXHG-INIZCTEOSA-N 2 0 343.475 1.606 20 0 EDADRP COc1cccc2c1CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C2 ZINC000426043084 274152195 /nfs/dbraw/zinc/15/21/95/274152195.db2.gz MUZSIKLCAIGRMC-IAGOWNOFSA-N 2 0 345.487 1.730 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285464859 274552474 /nfs/dbraw/zinc/55/24/74/274552474.db2.gz AKVRXMLWIMFBBG-CQSZACIVSA-N 2 0 346.475 1.694 20 0 EDADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000366548784 276012509 /nfs/dbraw/zinc/01/25/09/276012509.db2.gz CNKWALJTCBDABX-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@@H](C)[NH3+])CC1 ZINC000261795529 276202894 /nfs/dbraw/zinc/20/28/94/276202894.db2.gz MGHNASAIDYCZTK-KGLIPLIRSA-N 2 0 336.455 1.882 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H](O)COC)CC1 ZINC000180248263 276202940 /nfs/dbraw/zinc/20/29/40/276202940.db2.gz ZFJIRBHDMFDKKS-HOCLYGCPSA-N 2 0 339.455 1.626 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C[C@@H]1CC ZINC000370020492 276319886 /nfs/dbraw/zinc/31/98/86/276319886.db2.gz UAJABSLKLYLYKB-SQNIBIBYSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000347759508 276323765 /nfs/dbraw/zinc/32/37/65/276323765.db2.gz JIFHXWMQOFMMNI-HZPDHXFCSA-N 2 0 340.512 1.166 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344551501 276333338 /nfs/dbraw/zinc/33/33/38/276333338.db2.gz RNJRCWLGJQYGMK-HOTGVXAUSA-N 2 0 328.501 1.109 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccnc2s1 ZINC000343968033 276371014 /nfs/dbraw/zinc/37/10/14/276371014.db2.gz AZUMWVUQYYOLBW-CQSZACIVSA-N 2 0 349.504 1.884 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000358804101 276386143 /nfs/dbraw/zinc/38/61/43/276386143.db2.gz IIPRFYVHDJTDEO-MSOLQXFVSA-N 2 0 325.497 1.632 20 0 EDADRP CC[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422884017 276586991 /nfs/dbraw/zinc/58/69/91/276586991.db2.gz RHJXVZGNYXSUEM-ZWKOTPCHSA-N 2 0 331.508 1.844 20 0 EDADRP CC(=O)NCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092366985 277031755 /nfs/dbraw/zinc/03/17/55/277031755.db2.gz YGDMZOUBUXFYTJ-UHFFFAOYSA-N 2 0 338.883 1.708 20 0 EDADRP CC(=O)NCC[C@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000347666054 277034261 /nfs/dbraw/zinc/03/42/61/277034261.db2.gz GGNXHHUTLVMJGI-LJQANCHMSA-N 2 0 338.540 1.641 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC000356293116 277071344 /nfs/dbraw/zinc/07/13/44/277071344.db2.gz HMUQGTXZRBACOF-IEBWSBKVSA-N 2 0 335.492 1.574 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000369228355 277081810 /nfs/dbraw/zinc/08/18/10/277081810.db2.gz AVLFBNLHGYBZSY-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@@H]1C ZINC000358653117 277325691 /nfs/dbraw/zinc/32/56/91/277325691.db2.gz GIXJNRVXGOLARV-IXDOHACOSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173141 278035469 /nfs/dbraw/zinc/03/54/69/278035469.db2.gz CIZYYLGAPUVVKA-OGWHTMIXSA-N 2 0 349.519 1.819 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000422837282 278357556 /nfs/dbraw/zinc/35/75/56/278357556.db2.gz LTZOJKVHKCCRFZ-IAGOWNOFSA-N 3 0 338.540 1.863 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NCCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000417312497 278856379 /nfs/dbraw/zinc/85/63/79/278856379.db2.gz NWTHKUSGUQMLFC-SFHVURJKSA-N 2 0 347.507 1.192 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000352066785 279111723 /nfs/dbraw/zinc/11/17/23/279111723.db2.gz DHVXRIFGHFNEDX-RDJZCZTQSA-N 2 0 343.537 1.607 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457811759 279127293 /nfs/dbraw/zinc/12/72/93/279127293.db2.gz OBFUFPANSHNNDU-CVEARBPZSA-N 2 0 328.501 1.109 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000360967609 279133990 /nfs/dbraw/zinc/13/39/90/279133990.db2.gz BJAPKUNIIWAKFL-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000333135929 279376218 /nfs/dbraw/zinc/37/62/18/279376218.db2.gz KFJSNBUUHJJNGG-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@H]1C ZINC000361790683 279396834 /nfs/dbraw/zinc/39/68/34/279396834.db2.gz VPZZWBWTYAKURL-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418105814 280165122 /nfs/dbraw/zinc/16/51/22/280165122.db2.gz LZYAVYYSVXUUAW-PNESKVBLSA-N 2 0 336.402 1.828 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000340962981 280248180 /nfs/dbraw/zinc/24/81/80/280248180.db2.gz PJSHAROMUQHIRF-ULQDDVLXSA-N 2 0 339.528 1.040 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262224958 280277605 /nfs/dbraw/zinc/27/76/05/280277605.db2.gz JUUIZXHBFWKEME-OAHLLOKOSA-N 2 0 325.497 1.759 20 0 EDADRP C[NH+](C)CCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000287736295 288309517 /nfs/dbraw/zinc/30/95/17/288309517.db2.gz HRROZDPCFJDVKI-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCOCC1 ZINC000073235798 282037477 /nfs/dbraw/zinc/03/74/77/282037477.db2.gz WCHONTPAMTUGDY-OAHLLOKOSA-N 2 0 338.496 1.413 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370159122 288717136 /nfs/dbraw/zinc/71/71/36/288717136.db2.gz FKXPHOPBEXZTLW-JKSUJKDBSA-N 2 0 345.491 1.373 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000289838372 288788584 /nfs/dbraw/zinc/78/85/84/288788584.db2.gz AVHMEJKTMIPCKK-OLZOCXBDSA-N 2 0 339.461 1.282 20 0 EDADRP c1cnn([C@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024878 289242145 /nfs/dbraw/zinc/24/21/45/289242145.db2.gz YOGCRYUMWPEHBR-ROUUACIJSA-N 2 0 344.463 1.290 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037682 289245397 /nfs/dbraw/zinc/24/53/97/289245397.db2.gz ADWRBCPOBLANCB-IBGZPJMESA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000293274223 289567962 /nfs/dbraw/zinc/56/79/62/289567962.db2.gz UOKRWZPVORDBOX-OAHLLOKOSA-N 2 0 348.491 1.781 20 0 EDADRP CN1CC[NH+](C[C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000367979816 290046364 /nfs/dbraw/zinc/04/63/64/290046364.db2.gz ZDSISXZVFVUWEN-QGZVFWFLSA-N 2 0 334.508 1.101 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418578366 304514888 /nfs/dbraw/zinc/51/48/88/304514888.db2.gz VNRFHTIQIVMOPJ-PLYYQAHHSA-N 2 0 348.466 1.959 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])c1ccsc1 ZINC000419378524 304601722 /nfs/dbraw/zinc/60/17/22/304601722.db2.gz VSSVEZZNOHPMBH-TZMCWYRMSA-N 2 0 340.493 1.101 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000419966315 304718404 /nfs/dbraw/zinc/71/84/04/304718404.db2.gz YHIQPRUESWCBDP-INIZCTEOSA-N 2 0 340.512 1.056 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]([NH3+])Cc3ccccc32)cc1 ZINC000420475233 304763291 /nfs/dbraw/zinc/76/32/91/304763291.db2.gz MDPYKCCGXDGZKM-INIZCTEOSA-N 2 0 345.468 1.827 20 0 EDADRP COCc1nc2n(n1)C[C@@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000294160123 303071127 /nfs/dbraw/zinc/07/11/27/303071127.db2.gz IGAMNZOINIRYDK-HNNXBMFYSA-N 2 0 342.447 1.393 20 0 EDADRP Cn1nccc1[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(=O)N1C ZINC000345003635 303084046 /nfs/dbraw/zinc/08/40/46/303084046.db2.gz WYGMMFNUPLGSKX-LLDVTBCESA-N 2 0 331.464 1.298 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)NC(=O)CO2)N1CC[NH+](C)CC1 ZINC000294459705 303110355 /nfs/dbraw/zinc/11/03/55/303110355.db2.gz YVCGKEBZOCKAGO-QGZVFWFLSA-N 2 0 346.475 1.379 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042284 303166202 /nfs/dbraw/zinc/16/62/02/303166202.db2.gz POCICCOLOSWJTP-GJJHYRHESA-N 2 0 331.504 1.724 20 0 EDADRP Cc1nc2ccccc2n1CC(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000456208444 447328227 /nfs/dbraw/zinc/32/82/27/447328227.db2.gz IKWDUOLAJWQUSR-OKILXGFUSA-N 2 0 330.432 1.258 20 0 EDADRP O=C(N1CCC(CC[NH+]2CCOCC2)CC1)C12CCC[NH+]1CCC2 ZINC000377744287 447331641 /nfs/dbraw/zinc/33/16/41/447331641.db2.gz MNDJSRKQHTYAJB-UHFFFAOYSA-N 2 0 335.492 1.576 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414865860 447335080 /nfs/dbraw/zinc/33/50/80/447335080.db2.gz ZVGZINPRNPPOII-GDBMZVCRSA-N 2 0 349.475 1.688 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000414884904 447343473 /nfs/dbraw/zinc/34/34/73/447343473.db2.gz OHMISSBBBSVLNB-KRWDZBQOSA-N 2 0 342.443 1.207 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000414882958 447342270 /nfs/dbraw/zinc/34/22/70/447342270.db2.gz NBSJMKBIZSBPTI-HNNXBMFYSA-N 2 0 330.432 1.088 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@H](CC[NH3+])C(F)F)c1 ZINC000414892146 447346051 /nfs/dbraw/zinc/34/60/51/447346051.db2.gz WOCODWBFMGXMRU-CYBMUJFWSA-N 2 0 330.379 1.731 20 0 EDADRP C[C@H](NC(=O)C(=O)NCc1ccc2c[nH+]cn2c1)C(C)(C)C[NH+](C)C ZINC000422358498 304856205 /nfs/dbraw/zinc/85/62/05/304856205.db2.gz NLKBEMRWKDFNFA-ZDUSSCGKSA-N 2 0 345.447 1.043 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422626317 304874981 /nfs/dbraw/zinc/87/49/81/304874981.db2.gz DTOQUXPXXRPDAK-UHFFFAOYSA-N 2 0 327.428 1.891 20 0 EDADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423102537 304886204 /nfs/dbraw/zinc/88/62/04/304886204.db2.gz WYSXVKYNCDDJPJ-XJKSGUPXSA-N 2 0 343.468 1.553 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423113427 304886971 /nfs/dbraw/zinc/88/69/71/304886971.db2.gz YWLHLYWJQCYKLM-RWMBFGLXSA-N 2 0 331.507 1.474 20 0 EDADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423188945 304888913 /nfs/dbraw/zinc/88/89/13/304888913.db2.gz ZWZYLBQWSIUPGG-INIZCTEOSA-N 2 0 332.492 1.311 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277156 304890929 /nfs/dbraw/zinc/89/09/29/304890929.db2.gz NSMLZEDOWQXFLY-IAOVAPTHSA-N 2 0 337.489 1.819 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])cc1 ZINC000423298383 304891641 /nfs/dbraw/zinc/89/16/41/304891641.db2.gz OFXZSKUEVJEFHB-KBPBESRZSA-N 2 0 327.494 1.963 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423313657 304892297 /nfs/dbraw/zinc/89/22/97/304892297.db2.gz XDLLEEUQHOZZCO-QGZVFWFLSA-N 2 0 333.480 1.804 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)[NH+]1CCC(C)CC1 ZINC000423315156 304892420 /nfs/dbraw/zinc/89/24/20/304892420.db2.gz ALBUGZVPNGCRFG-MRXNPFEDSA-N 2 0 336.484 1.113 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000423385349 304894253 /nfs/dbraw/zinc/89/42/53/304894253.db2.gz KPAWZGRFWRKSRD-AAVRWANBSA-N 2 0 333.398 1.370 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000423730894 304906534 /nfs/dbraw/zinc/90/65/34/304906534.db2.gz NSGHHXPCSDVLCH-CVEARBPZSA-N 2 0 345.491 1.798 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000423768930 304909456 /nfs/dbraw/zinc/90/94/56/304909456.db2.gz BQLFKRFGAUKDPH-RDJZCZTQSA-N 2 0 328.460 1.980 20 0 EDADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000424074679 304927783 /nfs/dbraw/zinc/92/77/83/304927783.db2.gz KIKAKEHUDIJZMK-LSDHHAIUSA-N 2 0 325.416 1.338 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000430569877 305056283 /nfs/dbraw/zinc/05/62/83/305056283.db2.gz GADBFZSTXNBMEW-AWEZNQCLSA-N 2 0 338.496 1.855 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2ccc(OC)cc2)CC1 ZINC000430599937 305057910 /nfs/dbraw/zinc/05/79/10/305057910.db2.gz QYTKENAGZQKJKU-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000430602047 305058005 /nfs/dbraw/zinc/05/80/05/305058005.db2.gz GEIVAJUOJIBNEU-UHFFFAOYSA-N 2 0 345.365 1.872 20 0 EDADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430611044 305058802 /nfs/dbraw/zinc/05/88/02/305058802.db2.gz NHNBYRFYOTWVRI-MRXNPFEDSA-N 2 0 347.459 1.218 20 0 EDADRP C[NH2+]C[C@@H]1CCC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000430624889 305059722 /nfs/dbraw/zinc/05/97/22/305059722.db2.gz JMRWSIWLJKAEBU-HNNXBMFYSA-N 2 0 329.444 1.994 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000430624428 305059796 /nfs/dbraw/zinc/05/97/96/305059796.db2.gz ILCUCNWTRXQVGR-OAHLLOKOSA-N 2 0 335.423 1.348 20 0 EDADRP C[NH2+][C@H]1CCN([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000430627085 305060095 /nfs/dbraw/zinc/06/00/95/305060095.db2.gz SLWMIHOTGCMIQK-APWZRJJASA-N 2 0 344.503 1.449 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000430691071 305062371 /nfs/dbraw/zinc/06/23/71/305062371.db2.gz IEKVWYRLUYYDHZ-SFHVURJKSA-N 2 0 333.476 1.422 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000430772435 305064560 /nfs/dbraw/zinc/06/45/60/305064560.db2.gz BBRVKZVZXAEWOG-ZWKOTPCHSA-N 2 0 333.476 1.688 20 0 EDADRP CCOc1ccc(OCCNC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430920195 305068127 /nfs/dbraw/zinc/06/81/27/305068127.db2.gz UJCFHOWLIUJWMT-OAHLLOKOSA-N 2 0 349.475 1.640 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000430924867 305068465 /nfs/dbraw/zinc/06/84/65/305068465.db2.gz JZIMEYADEDNVCU-OAHLLOKOSA-N 2 0 341.459 1.548 20 0 EDADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039982 305073460 /nfs/dbraw/zinc/07/34/60/305073460.db2.gz UHKKNTUHVRQNTJ-ZDUSSCGKSA-N 2 0 348.422 1.938 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000431048380 305073608 /nfs/dbraw/zinc/07/36/08/305073608.db2.gz JULHEIWOSXNGCY-FGTMMUONSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)C1CC[NH2+]CC1 ZINC000431077862 305074336 /nfs/dbraw/zinc/07/43/36/305074336.db2.gz DFSFAJBWHBLOOV-UHFFFAOYSA-N 2 0 346.475 1.867 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000433072630 305099709 /nfs/dbraw/zinc/09/97/09/305099709.db2.gz PAWOCKAUDMCPQC-ZGUYJTEBSA-N 2 0 337.508 1.628 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc(N3CCCC3)nc2)CC1 ZINC000433148556 305101692 /nfs/dbraw/zinc/10/16/92/305101692.db2.gz RIBSDBQBXJZIIX-UHFFFAOYSA-N 2 0 345.491 1.501 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939214 305115110 /nfs/dbraw/zinc/11/51/10/305115110.db2.gz FMIGEKCLKNSOSA-IRXDYDNUSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000435859125 305148395 /nfs/dbraw/zinc/14/83/95/305148395.db2.gz VIXNUQLUSAJQFA-HNNXBMFYSA-N 2 0 340.512 1.347 20 0 EDADRP CCOc1ccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436064755 305151955 /nfs/dbraw/zinc/15/19/55/305151955.db2.gz NGWVPRNVHAWRSV-MRXNPFEDSA-N 2 0 349.475 1.784 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[NH+](CC)CC ZINC000437957727 305179530 /nfs/dbraw/zinc/17/95/30/305179530.db2.gz SLIMTBSKXSDBIE-QBPKDAKJSA-N 2 0 325.497 1.817 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000438854430 305190226 /nfs/dbraw/zinc/19/02/26/305190226.db2.gz WITPOCXLXBMWGX-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063827 305234440 /nfs/dbraw/zinc/23/44/40/305234440.db2.gz XGUNZRQVXXRRTE-QGZVFWFLSA-N 2 0 333.476 1.941 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000446378953 305264159 /nfs/dbraw/zinc/26/41/59/305264159.db2.gz XZXOZWZLCGMXNQ-LJCCNALRSA-N 2 0 349.519 1.996 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447302748 305277481 /nfs/dbraw/zinc/27/74/81/305277481.db2.gz FYNUIGHQLIUSEY-BVIKNXMNSA-N 2 0 328.497 1.641 20 0 EDADRP OC(C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000447316473 305278184 /nfs/dbraw/zinc/27/81/84/305278184.db2.gz YSXBVZSNVNAZOA-FPAYPSAMSA-N 2 0 338.492 1.349 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000447506144 305280903 /nfs/dbraw/zinc/28/09/03/305280903.db2.gz BQEWZQFNXRUURG-WBVHZDCISA-N 2 0 330.476 1.699 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[NH2+]C[C@H]1C)[NH+]1CCCC1 ZINC000449314053 305311073 /nfs/dbraw/zinc/31/10/73/305311073.db2.gz YKHODRLBKNDFGZ-OIISXLGYSA-N 2 0 331.460 1.804 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449342508 305312187 /nfs/dbraw/zinc/31/21/87/305312187.db2.gz BYHARWVPQIEQHP-PKOBYXMFSA-N 2 0 331.460 1.145 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000449714152 305317873 /nfs/dbraw/zinc/31/78/73/305317873.db2.gz ZSPPTKLPGHYMKK-ZWKOTPCHSA-N 2 0 331.460 1.536 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000451735932 305365810 /nfs/dbraw/zinc/36/58/10/305365810.db2.gz FEYYSFGWMFPHEE-OALUTQOASA-N 2 0 346.519 1.822 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CCCC[NH3+])CC2)cc1 ZINC000414900961 447349639 /nfs/dbraw/zinc/34/96/39/447349639.db2.gz HTRYQPDGAGKWFF-UHFFFAOYSA-N 2 0 325.478 1.477 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414904186 447350200 /nfs/dbraw/zinc/35/02/00/447350200.db2.gz MFNUXBIGFRKVSF-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NCCOCC[NH+](C)C)([NH+](C)C)C1 ZINC000471634386 305537447 /nfs/dbraw/zinc/53/74/47/305537447.db2.gz JTWZIYANQYGLSL-NVXWUHKLSA-N 2 0 328.501 1.374 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+]CCCC[NH3+])CC2)cc1 ZINC000414905313 447352353 /nfs/dbraw/zinc/35/23/53/447352353.db2.gz NXALORSZKZBZEZ-UHFFFAOYSA-N 2 0 341.477 1.177 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)cc1 ZINC000516166011 305734282 /nfs/dbraw/zinc/73/42/82/305734282.db2.gz OPKMTCNNYSBFSN-MAUKXSAKSA-N 2 0 346.475 1.835 20 0 EDADRP CSC[C@@H](O)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000516761457 305741175 /nfs/dbraw/zinc/74/11/75/305741175.db2.gz FKZKELHWMRBJDQ-SFHVURJKSA-N 2 0 337.533 1.508 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000521212357 305786221 /nfs/dbraw/zinc/78/62/21/305786221.db2.gz OXCFYYSUSWFMGC-DOMZBBRYSA-N 2 0 328.416 1.936 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000521983460 305796590 /nfs/dbraw/zinc/79/65/90/305796590.db2.gz WLMZHUSAXILWAC-GCVYGYKWSA-N 2 0 338.249 1.974 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CCn3ncc(C(=O)NC(C)C)c3C2)CC1 ZINC000526944411 305836494 /nfs/dbraw/zinc/83/64/94/305836494.db2.gz INNCZCHNBBYHSC-OAHLLOKOSA-N 2 0 347.507 1.658 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000414930429 447362692 /nfs/dbraw/zinc/36/26/92/447362692.db2.gz AVHZXSDJJGGMMX-XEZPLFJOSA-N 2 0 333.432 1.778 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000529380599 305912044 /nfs/dbraw/zinc/91/20/44/305912044.db2.gz PAMVGTSTCZEQJI-IAGOWNOFSA-N 2 0 338.496 1.272 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000449129651 447366121 /nfs/dbraw/zinc/36/61/21/447366121.db2.gz DCGBPKAUUPLAKL-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP CN(CCC(=O)N1CCC(OCC[NH+](C)C)CC1)c1cc[nH+]cc1 ZINC000541857636 306048260 /nfs/dbraw/zinc/04/82/60/306048260.db2.gz VRHDWFCPEFDSBG-UHFFFAOYSA-N 2 0 334.464 1.477 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000543713871 306067671 /nfs/dbraw/zinc/06/76/71/306067671.db2.gz LMSKQPCXCGMGMN-WMZOPIPTSA-N 2 0 331.460 1.900 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000544602899 306077155 /nfs/dbraw/zinc/07/71/55/306077155.db2.gz MDFQBNYDWVAMCL-OFQRWUPVSA-N 2 0 331.526 1.366 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1coc(COC)n1 ZINC000547518436 306103264 /nfs/dbraw/zinc/10/32/64/306103264.db2.gz IVXULMYWHVPAJP-AWEZNQCLSA-N 2 0 338.452 1.309 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000553164496 306183326 /nfs/dbraw/zinc/18/33/26/306183326.db2.gz SRZTYIWMVOWYFK-QGZVFWFLSA-N 2 0 337.508 1.727 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000553981926 306188456 /nfs/dbraw/zinc/18/84/56/306188456.db2.gz VPDLHZFSEPQVPG-IBGZPJMESA-N 2 0 346.519 1.870 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000557220250 306226784 /nfs/dbraw/zinc/22/67/84/306226784.db2.gz NWBIVXAKJHNOHT-QGZVFWFLSA-N 2 0 336.480 1.050 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000414946595 447369641 /nfs/dbraw/zinc/36/96/41/447369641.db2.gz UEJVWRCKNWSDMX-GDBMZVCRSA-N 2 0 346.475 1.676 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414947695 447369292 /nfs/dbraw/zinc/36/92/92/447369292.db2.gz LBXJBFDPDNPHFD-NVXWUHKLSA-N 2 0 344.459 1.260 20 0 EDADRP COC[C@]1(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CCC[NH2+]1 ZINC000414949813 447370327 /nfs/dbraw/zinc/37/03/27/447370327.db2.gz DHYDKMGYQWRBRE-AUUYWEPGSA-N 2 0 345.443 1.419 20 0 EDADRP COC[C@]1(C[NH2+][C@@H](C)CCN2C(=O)c3ccccc3C2=O)CCC[NH2+]1 ZINC000414949815 447370882 /nfs/dbraw/zinc/37/08/82/447370882.db2.gz DHYDKMGYQWRBRE-IFXJQAMLSA-N 2 0 345.443 1.419 20 0 EDADRP COCC1(C[NH2+]Cc2c(Br)cnn2C)CC[NH2+]CC1 ZINC000414976293 447382002 /nfs/dbraw/zinc/38/20/02/447382002.db2.gz PFXHDKHPXUJWEH-UHFFFAOYSA-N 2 0 331.258 1.288 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000426321764 447415135 /nfs/dbraw/zinc/41/51/35/447415135.db2.gz FNMPQLPPMVSULI-KRWDZBQOSA-N 2 0 335.492 1.765 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000422258822 447427689 /nfs/dbraw/zinc/42/76/89/447427689.db2.gz KOMBRIZNASFYSQ-GPANFISMSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1cn(C)cn1 ZINC000458620513 447427925 /nfs/dbraw/zinc/42/79/25/447427925.db2.gz NQNIXTQXSXEWPC-HNNXBMFYSA-N 2 0 329.448 1.782 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccccc1OCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000105205382 441241633 /nfs/dbraw/zinc/24/16/33/441241633.db2.gz WMCWRCRFLLYTAF-HNNXBMFYSA-N 2 0 348.491 1.909 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000059004650 441225194 /nfs/dbraw/zinc/22/51/94/441225194.db2.gz QMRXLIKGXJLHDO-UHFFFAOYSA-N 2 0 334.420 1.436 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000081248591 441243797 /nfs/dbraw/zinc/24/37/97/441243797.db2.gz DDROVBGJLMBQTO-UHFFFAOYSA-N 2 0 344.503 1.536 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)CC[NH+](C)C)CC2)c1 ZINC000073643595 441337546 /nfs/dbraw/zinc/33/75/46/441337546.db2.gz OBKDHWQPVBRGEX-SFHVURJKSA-N 2 0 346.519 1.964 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063667034 441342063 /nfs/dbraw/zinc/34/20/63/441342063.db2.gz VAMDHOBNPDEJAN-UHFFFAOYSA-N 2 0 344.503 1.650 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000062507056 441303580 /nfs/dbraw/zinc/30/35/80/441303580.db2.gz TUWXAOHAZFHKJZ-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000073988527 441377439 /nfs/dbraw/zinc/37/74/39/441377439.db2.gz CTLYULIEBXWLBV-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000085363358 441434575 /nfs/dbraw/zinc/43/45/75/441434575.db2.gz JSXVESRCSGCARB-HOTGVXAUSA-N 2 0 342.528 1.619 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000085425802 441439587 /nfs/dbraw/zinc/43/95/87/441439587.db2.gz QHOSLFOXAAILBF-JKSUJKDBSA-N 2 0 342.528 1.715 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000075346585 441518774 /nfs/dbraw/zinc/51/87/74/441518774.db2.gz ADMJSQIOBMDKPF-SFHVURJKSA-N 2 0 347.507 1.925 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000039051570 441616364 /nfs/dbraw/zinc/61/63/64/441616364.db2.gz LTQYROHLIRXKDM-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000113645957 441621514 /nfs/dbraw/zinc/62/15/14/441621514.db2.gz HULKOUSUDVPURK-HNNXBMFYSA-N 2 0 332.448 1.097 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090121605 441621632 /nfs/dbraw/zinc/62/16/32/441621632.db2.gz XBHHUVSRGXLCAL-QAPCUYQASA-N 3 0 332.492 1.408 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@H](C)C1 ZINC000090231604 441627561 /nfs/dbraw/zinc/62/75/61/441627561.db2.gz XHFLZQUGBPQJNM-CZUORRHYSA-N 2 0 329.510 1.263 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000076309903 441627609 /nfs/dbraw/zinc/62/76/09/441627609.db2.gz YOQADPUGFPQREU-DOTOQJQBSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090884950 441645951 /nfs/dbraw/zinc/64/59/51/441645951.db2.gz ZHQVSUVPWIOYKF-RDTXWAMCSA-N 2 0 332.448 1.745 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076586371 441660825 /nfs/dbraw/zinc/66/08/25/441660825.db2.gz DGZQMGHPWYKCPA-UHFFFAOYSA-N 2 0 348.491 1.577 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000137403907 441767447 /nfs/dbraw/zinc/76/74/47/441767447.db2.gz SDNAJLPKOOEJAQ-DLBZAZTESA-N 2 0 335.517 1.713 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891212 441857382 /nfs/dbraw/zinc/85/73/82/441857382.db2.gz UICSJUIDFHHWQM-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188578 441900530 /nfs/dbraw/zinc/90/05/30/441900530.db2.gz DJOCBPLOAOVPIZ-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174172125 441898261 /nfs/dbraw/zinc/89/82/61/441898261.db2.gz DDQJEYJZNFKIQU-INIZCTEOSA-N 2 0 326.485 1.082 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)COC1 ZINC000174884411 441977931 /nfs/dbraw/zinc/97/79/31/441977931.db2.gz GRVFBVKBWMIQIS-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP COCOc1ccc(OC)cc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000119400359 441932341 /nfs/dbraw/zinc/93/23/41/441932341.db2.gz HLDVKYSBHDXAHV-HNNXBMFYSA-N 2 0 337.464 1.403 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000174603928 441942877 /nfs/dbraw/zinc/94/28/77/441942877.db2.gz IBTVIJSANOGADQ-ZWKOTPCHSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000079092787 442017545 /nfs/dbraw/zinc/01/75/45/442017545.db2.gz WBBLSANGNOQMIB-XHSDSOJGSA-N 2 0 338.496 1.269 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000161703930 442025542 /nfs/dbraw/zinc/02/55/42/442025542.db2.gz QYYAPZWNNJZOHB-NVXWUHKLSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000151253069 442031257 /nfs/dbraw/zinc/03/12/57/442031257.db2.gz VMFYOHDJXAWAMY-HNNXBMFYSA-N 2 0 337.489 1.722 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175603890 442092880 /nfs/dbraw/zinc/09/28/80/442092880.db2.gz DTIZKGKRJGOWBN-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000175375549 442052704 /nfs/dbraw/zinc/05/27/04/442052704.db2.gz HZCMNEODYIKGAZ-QGZVFWFLSA-N 2 0 338.496 1.225 20 0 EDADRP CCN1CCO[C@H](C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)C1 ZINC000456721592 447445872 /nfs/dbraw/zinc/44/58/72/447445872.db2.gz QUGGGZZWRPQHJA-PXAZEXFGSA-N 2 0 346.431 1.557 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)C1 ZINC000175552744 442084483 /nfs/dbraw/zinc/08/44/83/442084483.db2.gz NTABZCCLJWQWIG-YQQAZPJKSA-N 2 0 338.496 1.268 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162524960 442100680 /nfs/dbraw/zinc/10/06/80/442100680.db2.gz RCZNHYZIRMRFKM-CYBMUJFWSA-N 2 0 344.301 1.261 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)C1 ZINC000176044802 442166524 /nfs/dbraw/zinc/16/65/24/442166524.db2.gz NQVDLQXOWOMAPX-GVDBMIGSSA-N 2 0 325.497 1.628 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000164276478 442194473 /nfs/dbraw/zinc/19/44/73/442194473.db2.gz MCVDXUUEVKETMX-MRXNPFEDSA-N 2 0 325.522 1.758 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000127420409 442201318 /nfs/dbraw/zinc/20/13/18/442201318.db2.gz HNDIJDKYULTLNV-LSDHHAIUSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1)N1CC[NH+](C)CC1 ZINC000127539941 442210713 /nfs/dbraw/zinc/21/07/13/442210713.db2.gz SLCYUKVKHOAAKP-CVEARBPZSA-N 2 0 346.475 1.930 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000167249669 442219720 /nfs/dbraw/zinc/21/97/20/442219720.db2.gz SXVXPLKQKTUHPL-MSOLQXFVSA-N 2 0 333.476 1.812 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167253959 442219738 /nfs/dbraw/zinc/21/97/38/442219738.db2.gz SNLDPKKKMFFYLP-ZWKOTPCHSA-N 2 0 333.476 1.954 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)[C@@H](C)c2cccnc2)C1 ZINC000127768906 442224065 /nfs/dbraw/zinc/22/40/65/442224065.db2.gz OOZSKOIUWALUQG-FUHWJXTLSA-N 2 0 348.491 1.547 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000152552178 442224743 /nfs/dbraw/zinc/22/47/43/442224743.db2.gz VHPIBVNDZAGINP-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[NH2+]C2CC2)CC1 ZINC000154680834 442351867 /nfs/dbraw/zinc/35/18/67/442351867.db2.gz UPESJXCWUINFKP-AWEZNQCLSA-N 2 0 348.466 1.897 20 0 EDADRP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129459944 442317383 /nfs/dbraw/zinc/31/73/83/442317383.db2.gz CQKKSLCGKREPQS-PKOBYXMFSA-N 2 0 345.487 1.388 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCC[NH+](C)C)[NH+](C)C)cc1OC ZINC000133334643 442413427 /nfs/dbraw/zinc/41/34/27/442413427.db2.gz KARGLWPEFBXPNN-AWEZNQCLSA-N 2 0 338.452 1.167 20 0 EDADRP C[C@@H]([NH2+]CCn1ccnc1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000155677488 442418116 /nfs/dbraw/zinc/41/81/16/442418116.db2.gz ARKHIODDCVCEKR-CQSZACIVSA-N 2 0 334.445 1.774 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000178388182 442429659 /nfs/dbraw/zinc/42/96/59/442429659.db2.gz PGPCMXQCIUWJSU-OAHLLOKOSA-N 2 0 338.496 1.938 20 0 EDADRP CNC(=O)NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000178391243 442429736 /nfs/dbraw/zinc/42/97/36/442429736.db2.gz YQVFXLQRAXVGHV-HNNXBMFYSA-N 2 0 338.496 1.809 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178872982 442510313 /nfs/dbraw/zinc/51/03/13/442510313.db2.gz KGFLHRLIESWEBV-SFHVURJKSA-N 2 0 330.476 1.050 20 0 EDADRP COC(=O)C[C@H]1CSCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191552637 442462012 /nfs/dbraw/zinc/46/20/12/442462012.db2.gz JWXPYHMFUNKDNG-INIZCTEOSA-N 2 0 343.537 1.383 20 0 EDADRP CN(CCc1ccccn1)CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000179553321 442474714 /nfs/dbraw/zinc/47/47/14/442474714.db2.gz GVQUGWOBSUEUIS-UHFFFAOYSA-N 2 0 342.443 1.493 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000178966972 442541149 /nfs/dbraw/zinc/54/11/49/442541149.db2.gz CYIZHAOXXHURIF-UHFFFAOYSA-N 2 0 331.460 1.382 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000179853941 442511985 /nfs/dbraw/zinc/51/19/85/442511985.db2.gz DFMXFLUSADOOCX-YJBOKZPZSA-N 2 0 333.476 1.108 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000186723979 442600976 /nfs/dbraw/zinc/60/09/76/442600976.db2.gz DPHNXADYWUUESM-QFBILLFUSA-N 2 0 337.508 1.853 20 0 EDADRP CCOC(=O)N1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186576638 442564574 /nfs/dbraw/zinc/56/45/74/442564574.db2.gz DFPXHPXNHAKGDW-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136147725 442653015 /nfs/dbraw/zinc/65/30/15/442653015.db2.gz JUQZXIWYUPOIJC-UHFFFAOYSA-N 2 0 334.464 1.626 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)CCO1 ZINC000192522394 442657207 /nfs/dbraw/zinc/65/72/07/442657207.db2.gz BOBXQABJKNRHBC-HNAYVOBHSA-N 2 0 331.460 1.572 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187947554 442699555 /nfs/dbraw/zinc/69/95/55/442699555.db2.gz NPLPENNCHPNJCF-LEUOFYLZSA-N 2 0 331.460 1.533 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188067583 442707786 /nfs/dbraw/zinc/70/77/86/442707786.db2.gz MNNVAJLXOKOHKH-QGZVFWFLSA-N 2 0 335.448 1.012 20 0 EDADRP COc1ccc([C@H](CNc2cc[nH+]cc2C(N)=O)[NH+](C)C)cc1OC ZINC000188151054 442716856 /nfs/dbraw/zinc/71/68/56/442716856.db2.gz FVRDMYYEFMBHNS-HNNXBMFYSA-N 2 0 344.415 1.913 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000193203449 442722313 /nfs/dbraw/zinc/72/23/13/442722313.db2.gz BZAAINNQZCRSON-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000182663961 442803333 /nfs/dbraw/zinc/80/33/33/442803333.db2.gz ZOVVMXDXOJDPLA-AWEZNQCLSA-N 2 0 327.469 1.249 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CCC(c2ncc[nH]2)CC1 ZINC000265445029 442775202 /nfs/dbraw/zinc/77/52/02/442775202.db2.gz AODFRPGPPSYJDF-GFCCVEGCSA-N 2 0 341.415 1.715 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)C2)c1 ZINC000182487637 442775631 /nfs/dbraw/zinc/77/56/31/442775631.db2.gz MNLWJQJRXURVSC-HNNXBMFYSA-N 2 0 326.462 1.294 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246478329 442784870 /nfs/dbraw/zinc/78/48/70/442784870.db2.gz GKWPXOGSOPENST-DSLXNQLJSA-N 2 0 338.492 1.492 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000268036493 442825253 /nfs/dbraw/zinc/82/52/53/442825253.db2.gz WRONEBABZPALKR-AEFFLSMTSA-N 2 0 335.492 1.980 20 0 EDADRP C[NH+](C)C[C@H]1CCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000268195799 442894628 /nfs/dbraw/zinc/89/46/28/442894628.db2.gz SRDQAKVHDFIRBK-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182963746 442855627 /nfs/dbraw/zinc/85/56/27/442855627.db2.gz BKOIOBKMCWOZBP-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1CO ZINC000248890642 442934916 /nfs/dbraw/zinc/93/49/16/442934916.db2.gz FRRFGAYDZCXXHU-LPHOPBHVSA-N 2 0 345.487 1.601 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C)c1 ZINC000185238388 318543457 /nfs/dbraw/zinc/54/34/57/318543457.db2.gz YGTZIXOATBFSPW-QGZVFWFLSA-N 2 0 336.480 1.891 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCn2c(C)csc2=O)[C@@H](C)C1 ZINC000249439271 442974738 /nfs/dbraw/zinc/97/47/38/442974738.db2.gz LRXVRRMFMAYHDI-GOEBONIOSA-N 2 0 341.521 1.945 20 0 EDADRP CC[C@]1(CO)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249599141 442994080 /nfs/dbraw/zinc/99/40/80/442994080.db2.gz XSPFTAJDVJCQEV-QUCCMNQESA-N 2 0 347.503 1.890 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000195322009 443009085 /nfs/dbraw/zinc/00/90/85/443009085.db2.gz NSYKHVDCCNZQRE-UHFFFAOYSA-N 2 0 343.475 1.646 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C/C[NH+](C)C ZINC000266115005 443022838 /nfs/dbraw/zinc/02/28/38/443022838.db2.gz VZQDNIOANGWETB-PYUISTEWSA-N 2 0 330.476 1.431 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000266137931 443031555 /nfs/dbraw/zinc/03/15/55/443031555.db2.gz AGJDHOMERVQWOU-UHFFFAOYSA-N 2 0 345.491 1.146 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)[C@@H](C)C1 ZINC000266151348 443036766 /nfs/dbraw/zinc/03/67/66/443036766.db2.gz XAGXMQUBTXTFBM-BBRMVZONSA-N 2 0 325.478 1.878 20 0 EDADRP [NH3+]CC1(CC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCCC1 ZINC000184238198 443004481 /nfs/dbraw/zinc/00/44/81/443004481.db2.gz FIXSNYMMBRAOJD-UHFFFAOYSA-N 2 0 337.508 1.857 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268751613 443097269 /nfs/dbraw/zinc/09/72/69/443097269.db2.gz JXGUOJQREXBDAY-LSDHHAIUSA-N 2 0 340.489 1.712 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1[NH+](C)C ZINC000266234027 443067220 /nfs/dbraw/zinc/06/72/20/443067220.db2.gz UETLIIHOUADZGF-LPHOPBHVSA-N 2 0 344.503 1.456 20 0 EDADRP OCc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000266245475 443072254 /nfs/dbraw/zinc/07/22/54/443072254.db2.gz YLKCRRYIWKZCKZ-UHFFFAOYSA-N 2 0 330.432 1.469 20 0 EDADRP C[C@H]([NH2+]CCCNS(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000268769180 443103130 /nfs/dbraw/zinc/10/31/30/443103130.db2.gz RUWMNUKAOZVMPZ-AWEZNQCLSA-N 2 0 343.493 1.217 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000266565747 443170079 /nfs/dbraw/zinc/17/00/79/443170079.db2.gz ZQBHSWFNPSOPIG-LJQANCHMSA-N 2 0 329.488 1.876 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000237879721 443185771 /nfs/dbraw/zinc/18/57/71/443185771.db2.gz YTQRTLVRNOTFQZ-INIZCTEOSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000190837564 443192179 /nfs/dbraw/zinc/19/21/79/443192179.db2.gz KLVRGKNILPJARU-APWZRJJASA-N 2 0 345.487 1.459 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268935478 443151523 /nfs/dbraw/zinc/15/15/23/443151523.db2.gz YNUMMVDTCIKGMG-RDTXWAMCSA-N 2 0 332.448 1.745 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000269232507 443242507 /nfs/dbraw/zinc/24/25/07/443242507.db2.gz ARJAFQKSMNEPRU-HKUYNNGSSA-N 2 0 344.503 1.703 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C[C@H]21 ZINC000350042213 319040147 /nfs/dbraw/zinc/04/01/47/319040147.db2.gz QXRVLMCDQXMSFW-QZTJIDSGSA-N 2 0 346.475 1.233 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000382725155 319124977 /nfs/dbraw/zinc/12/49/77/319124977.db2.gz RKRANAJCPWKXGN-FUHWJXTLSA-N 2 0 331.460 1.488 20 0 EDADRP CC(C)C[C@]1(CO)CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411616589 319188823 /nfs/dbraw/zinc/18/88/23/319188823.db2.gz FMABNRABOAQBJK-IBGZPJMESA-N 2 0 339.524 1.848 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000414655775 319336872 /nfs/dbraw/zinc/33/68/72/319336872.db2.gz HJHINKALRRATME-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP COc1ccccc1C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414670683 319338829 /nfs/dbraw/zinc/33/88/29/319338829.db2.gz DREUVRJBPGLWTP-HNNXBMFYSA-N 2 0 331.460 1.857 20 0 EDADRP Cc1cccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1C ZINC000414677658 319340348 /nfs/dbraw/zinc/34/03/48/319340348.db2.gz WYCKDCYQRRAUCA-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414682682 319341484 /nfs/dbraw/zinc/34/14/84/319341484.db2.gz AELBKQAYDVQDTI-MGPQQGTHSA-N 2 0 325.478 1.715 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CC[NH2+]1 ZINC000414690317 319342560 /nfs/dbraw/zinc/34/25/60/319342560.db2.gz NEDLWZBHLUDWLX-UONOGXRCSA-N 2 0 327.423 1.784 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000415182241 319347701 /nfs/dbraw/zinc/34/77/01/319347701.db2.gz YNPJXAXUUTVYAN-AWEZNQCLSA-N 2 0 346.475 1.883 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000415236415 319355115 /nfs/dbraw/zinc/35/51/15/319355115.db2.gz FSSZSPPXOGKSKC-HIFRSBDPSA-N 2 0 347.463 1.486 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415853000 319378148 /nfs/dbraw/zinc/37/81/48/319378148.db2.gz SFCLDTWJJICXTP-CZUORRHYSA-N 2 0 346.475 1.438 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000416824753 319463671 /nfs/dbraw/zinc/46/36/71/319463671.db2.gz PNDCWKLVJFRBKK-MRXNPFEDSA-N 2 0 334.464 1.869 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416903639 319470272 /nfs/dbraw/zinc/47/02/72/319470272.db2.gz CNJJWOPDFBOCJM-YJBOKZPZSA-N 2 0 348.491 1.987 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H](C)C[NH3+])c1cccc(OC)c1 ZINC000416919494 319474566 /nfs/dbraw/zinc/47/45/66/319474566.db2.gz KFWOLANWMQNDDE-WMLDXEAASA-N 2 0 336.480 1.972 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000417104615 319485955 /nfs/dbraw/zinc/48/59/55/319485955.db2.gz FLLRJJUYZZIMNW-INIZCTEOSA-N 2 0 340.537 1.728 20 0 EDADRP C[NH+](C)[C@@H](Cc1ccccc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267078797 443335054 /nfs/dbraw/zinc/33/50/54/443335054.db2.gz FXKCSYYTOSDKOV-WMZOPIPTSA-N 2 0 335.517 1.713 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000422586380 319719169 /nfs/dbraw/zinc/71/91/69/319719169.db2.gz BPKAEHAZIMQTJG-UHFFFAOYSA-N 2 0 328.526 1.775 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973896 319743527 /nfs/dbraw/zinc/74/35/27/319743527.db2.gz PVIKPJKYNAIFBS-SZVBFZGTSA-N 2 0 334.460 1.865 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000423404603 319772242 /nfs/dbraw/zinc/77/22/42/319772242.db2.gz IXZZNIBHQROICX-SFHVURJKSA-N 2 0 335.448 1.582 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423409445 319772926 /nfs/dbraw/zinc/77/29/26/319772926.db2.gz QCNYOALQBZBTTA-KRWDZBQOSA-N 2 0 333.480 1.659 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000273078790 443532819 /nfs/dbraw/zinc/53/28/19/443532819.db2.gz XGNSJWIQAGZMTG-MRXNPFEDSA-N 2 0 330.476 1.556 20 0 EDADRP CN1CCN(C(=O)CC[N@H+](CCO)[C@@H]2CCCc3ccccc32)CC1 ZINC000283005689 443493964 /nfs/dbraw/zinc/49/39/64/443493964.db2.gz FYJKGUYXKOVSDL-LJQANCHMSA-N 2 0 345.487 1.522 20 0 EDADRP C[C@@H]([NH2+]CCC(=O)N1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272376600 443606514 /nfs/dbraw/zinc/60/65/14/443606514.db2.gz BJGXVFPGQYAJLM-MJGOQNOKSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccc(F)cc1 ZINC000433155611 319972773 /nfs/dbraw/zinc/97/27/73/319972773.db2.gz YJCAAAULJHIMGT-CQSZACIVSA-N 2 0 337.439 1.913 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000433170494 319974217 /nfs/dbraw/zinc/97/42/17/319974217.db2.gz XCGNMDYXPMYECG-HEHGZKQESA-N 2 0 325.403 1.757 20 0 EDADRP C[NH+](CC1(C[N@@H+](C)[C@H]2CC[C@H](O)CC2)COC1)[C@H]1CC[C@H](O)CC1 ZINC000439268539 320043617 /nfs/dbraw/zinc/04/36/17/320043617.db2.gz FSDUFICCKLKYRW-OPMHRUBESA-N 2 0 340.508 1.474 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)c2)CC1 ZINC000444270849 320123517 /nfs/dbraw/zinc/12/35/17/320123517.db2.gz PYEAQACYRMEOBU-MJGOQNOKSA-N 2 0 328.460 1.372 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000286201764 443667086 /nfs/dbraw/zinc/66/70/86/443667086.db2.gz RRDVZHDTYRJYTM-LJQANCHMSA-N 2 0 344.503 1.357 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000449728883 320202352 /nfs/dbraw/zinc/20/23/52/320202352.db2.gz XSJFLRVIFIOZSO-ZWKOTPCHSA-N 2 0 344.503 1.832 20 0 EDADRP CSC1(CNC(=O)NCCCC[N@H+](C)C2CC2)CC[NH+](C)CC1 ZINC000454975806 320298158 /nfs/dbraw/zinc/29/81/58/320298158.db2.gz QJUURWZKGQHZHV-UHFFFAOYSA-N 2 0 342.553 1.987 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[NH+](C)C2)C1 ZINC000457505604 320328662 /nfs/dbraw/zinc/32/86/62/320328662.db2.gz HJFHRMHJBFECIJ-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC(C)(C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000457620748 320331610 /nfs/dbraw/zinc/33/16/10/320331610.db2.gz PYAKXYFYZJBKQG-INIZCTEOSA-N 2 0 342.528 1.763 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000457748389 320334826 /nfs/dbraw/zinc/33/48/26/320334826.db2.gz PYIARPCXMZVLLF-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H]1C ZINC000458841817 320342892 /nfs/dbraw/zinc/34/28/92/320342892.db2.gz GDEKJMNMHAVLCL-IAGOWNOFSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCC[NH+](C)C ZINC000471647476 320353125 /nfs/dbraw/zinc/35/31/25/320353125.db2.gz HDIQPNNPVONDQR-XHSDSOJGSA-N 2 0 328.501 1.230 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000478621320 320353922 /nfs/dbraw/zinc/35/39/22/320353922.db2.gz GMQPBMWJPZQZPR-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)CNC(=O)OC(C)(C)C)CC1 ZINC000490830226 320363211 /nfs/dbraw/zinc/36/32/11/320363211.db2.gz BVXCNGGUUFRDPO-UHFFFAOYSA-N 2 0 349.435 1.297 20 0 EDADRP Cc1ccccc1-n1nccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000280345606 443698689 /nfs/dbraw/zinc/69/86/89/443698689.db2.gz QYDSFUOFRRBRDD-UHFFFAOYSA-N 2 0 327.476 1.908 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000518312816 320455338 /nfs/dbraw/zinc/45/53/38/320455338.db2.gz PNAXKKBFFZXLQX-UHFFFAOYSA-N 2 0 337.464 1.880 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000519698349 320471149 /nfs/dbraw/zinc/47/11/49/320471149.db2.gz KGRJJLWNUNWHSN-OAGGEKHMSA-N 2 0 331.526 1.701 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276553943 443744388 /nfs/dbraw/zinc/74/43/88/443744388.db2.gz FNNRBFSUVNHOGA-UHFFFAOYSA-N 2 0 344.503 1.132 20 0 EDADRP COCCc1noc(CC2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000530244896 320617593 /nfs/dbraw/zinc/61/75/93/320617593.db2.gz QIYOPAJIEMVMMO-GOEBONIOSA-N 2 0 336.480 1.901 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000298882168 443891597 /nfs/dbraw/zinc/89/15/97/443891597.db2.gz PANCKYBYPZATGY-GJZGRUSLSA-N 2 0 346.475 1.995 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000277103890 443913108 /nfs/dbraw/zinc/91/31/08/443913108.db2.gz UGHAKOADSFHCKS-ZIAGYGMSSA-N 2 0 337.439 1.768 20 0 EDADRP C[NH+](C)CC1(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CCC1 ZINC000281625645 443962884 /nfs/dbraw/zinc/96/28/84/443962884.db2.gz GDYHYGOWWVGKLL-UHFFFAOYSA-N 2 0 345.491 1.194 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000288798819 443986302 /nfs/dbraw/zinc/98/63/02/443986302.db2.gz IMCCCEYSJVHRDQ-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000557241486 321000832 /nfs/dbraw/zinc/00/08/32/321000832.db2.gz JBFXSMCTQMPGRX-RYQLBKOJSA-N 2 0 348.466 1.912 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000557241026 321000906 /nfs/dbraw/zinc/00/09/06/321000906.db2.gz PRSLZCCJANDLAB-CMPFZWEDSA-N 2 0 334.508 1.924 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557358771 321002781 /nfs/dbraw/zinc/00/27/81/321002781.db2.gz UQNNUVIXTLSORJ-ZDUSSCGKSA-N 2 0 329.404 1.119 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559834390 321016496 /nfs/dbraw/zinc/01/64/96/321016496.db2.gz HZWIVGIJGPRDGZ-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278752 321038410 /nfs/dbraw/zinc/03/84/10/321038410.db2.gz SHZSLVGALNYHOC-HZPDHXFCSA-N 2 0 345.443 1.496 20 0 EDADRP C[C@H]1CN(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457032 321058634 /nfs/dbraw/zinc/05/86/34/321058634.db2.gz RJFURAJSISHAHK-GXFFZTMASA-N 2 0 349.859 1.297 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)Cn1c(C)nc2cc3c(cc21)OCCO3 ZINC000563423416 321110570 /nfs/dbraw/zinc/11/05/70/321110570.db2.gz KSMIUHOJEGTADZ-CYBMUJFWSA-N 2 0 335.404 1.055 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000563932147 321115951 /nfs/dbraw/zinc/11/59/51/321115951.db2.gz LSFXVVRGQOMGLH-KRWDZBQOSA-N 2 0 325.497 1.583 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000565038563 321165451 /nfs/dbraw/zinc/16/54/51/321165451.db2.gz HBSOEEDBNMHJDC-SFHVURJKSA-N 2 0 336.524 1.251 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@H]3CCC[C@@H]([NH3+])C3)C2=O)c(OC)c1 ZINC000565226840 321176796 /nfs/dbraw/zinc/17/67/96/321176796.db2.gz OIQJDGZVKJQRMK-VYDXJSESSA-N 2 0 347.459 1.664 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000565411341 321185455 /nfs/dbraw/zinc/18/54/55/321185455.db2.gz QDDHQBSINTUTEC-PFRQMTDMSA-N 2 0 345.487 1.898 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccsc1 ZINC000565772019 321200661 /nfs/dbraw/zinc/20/06/61/321200661.db2.gz JYIIBYRTRVKXOX-CQSZACIVSA-N 2 0 336.465 1.111 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000567041215 321239826 /nfs/dbraw/zinc/23/98/26/321239826.db2.gz ANXWNSLBEBWDIS-NVXWUHKLSA-N 3 0 338.540 1.591 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000567983113 321271287 /nfs/dbraw/zinc/27/12/87/321271287.db2.gz OXYSGDRYXDWELX-GOSISDBHSA-N 2 0 338.540 1.818 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000568502261 321294926 /nfs/dbraw/zinc/29/49/26/321294926.db2.gz KRHYIDDPAWBDSL-QZTJIDSGSA-N 2 0 336.476 1.825 20 0 EDADRP CCc1ncc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)cn1 ZINC000570025799 321334527 /nfs/dbraw/zinc/33/45/27/321334527.db2.gz LOFMGNLADCNMNQ-UHFFFAOYSA-N 2 0 345.491 1.415 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000570572555 321348785 /nfs/dbraw/zinc/34/87/85/321348785.db2.gz AHVAEAMDLABXNC-RHSMWYFYSA-N 2 0 346.475 1.695 20 0 EDADRP CC[C@@]1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)OCCc2ccccc21 ZINC000572114780 321415480 /nfs/dbraw/zinc/41/54/80/321415480.db2.gz GTWHSQBYQMWGSD-ICSRJNTNSA-N 2 0 347.503 1.063 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000574071821 321468027 /nfs/dbraw/zinc/46/80/27/321468027.db2.gz MHXIJBNMKZQGSK-QGZVFWFLSA-N 2 0 348.491 1.101 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000289822614 444208183 /nfs/dbraw/zinc/20/81/83/444208183.db2.gz CYGXJKCRUSEXDY-RTBURBONSA-N 2 0 344.503 1.935 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC[C@@H]([NH+](C)C)C3)ncn2)C1 ZINC000302300196 444211589 /nfs/dbraw/zinc/21/15/89/444211589.db2.gz PVRIYOKZCIJXJQ-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP Cc1cc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c2cc(F)ccc2[nH+]1 ZINC000302607508 444217744 /nfs/dbraw/zinc/21/77/44/444217744.db2.gz AYVPMLTWKXQYMT-MRXNPFEDSA-N 2 0 346.450 1.727 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)Cc1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000576460835 321568356 /nfs/dbraw/zinc/56/83/56/321568356.db2.gz YYSULAWWWOZVEL-RBUKOAKNSA-N 2 0 337.483 1.591 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000305195313 444264380 /nfs/dbraw/zinc/26/43/80/444264380.db2.gz ZCZSPPHVLFVMKF-PVAVHDDUSA-N 2 0 340.512 1.394 20 0 EDADRP CCO[C@@H](C)c1noc(CN(C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000303870235 444237710 /nfs/dbraw/zinc/23/77/10/444237710.db2.gz QBHJBLYTMKEUNS-KBPBESRZSA-N 2 0 340.468 1.692 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[NH+]2CCC1CC2 ZINC000577861543 321688959 /nfs/dbraw/zinc/68/89/59/321688959.db2.gz FAUNDWIIPOSSGR-DLBZAZTESA-N 2 0 333.863 1.950 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)ccn1 ZINC000297562020 444301313 /nfs/dbraw/zinc/30/13/13/444301313.db2.gz RYUHGCAFUOBDQP-GOSISDBHSA-N 2 0 347.507 1.948 20 0 EDADRP CC(C)(C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000327224089 444381051 /nfs/dbraw/zinc/38/10/51/444381051.db2.gz QMRCQLPJQICFSL-SFHVURJKSA-N 2 0 344.503 1.624 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000340711075 444485966 /nfs/dbraw/zinc/48/59/66/444485966.db2.gz LXLJBWRWNGRGIN-SFHVURJKSA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@]12NC(=O)N(Cc1ccc3c(c1)C[NH2+]CC3)C2=O ZINC000579957963 321991859 /nfs/dbraw/zinc/99/18/59/321991859.db2.gz LJTYMIRSRJIUIA-LPHOPBHVSA-N 2 0 342.443 1.272 20 0 EDADRP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CN1C1CC1 ZINC000329188923 444496164 /nfs/dbraw/zinc/49/61/64/444496164.db2.gz QPSHCRWNCFEXMW-MJBXVCDLSA-N 2 0 327.494 1.158 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000580065387 322004062 /nfs/dbraw/zinc/00/40/62/322004062.db2.gz USHVKSWAQVJXJG-SOLBZPMBSA-N 2 0 327.513 1.167 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581241364 322153106 /nfs/dbraw/zinc/15/31/06/322153106.db2.gz JQYRYLFFNNIWME-LSDHHAIUSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000581424804 322175824 /nfs/dbraw/zinc/17/58/24/322175824.db2.gz IZZYAJQEPXJOSU-QRVBRYPASA-N 2 0 341.540 1.702 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597164 322196618 /nfs/dbraw/zinc/19/66/18/322196618.db2.gz KPSQMZRPCOHEGD-SJORKVTESA-N 2 0 332.448 1.020 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC1 ZINC000581606037 322198501 /nfs/dbraw/zinc/19/85/01/322198501.db2.gz NZNNVTNTYQRMKG-DKSSEZFCSA-N 2 0 328.460 1.723 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1[NH+](C)C ZINC000340799993 444515502 /nfs/dbraw/zinc/51/55/02/444515502.db2.gz LVKOAGQVWRKHMJ-CJNGLKHVSA-N 2 0 332.448 1.095 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)CC(C)C ZINC000343765170 444574229 /nfs/dbraw/zinc/57/42/29/444574229.db2.gz BINGJSLHHYNDEV-HMQMGEFJSA-N 2 0 337.508 1.674 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000338280672 444608069 /nfs/dbraw/zinc/60/80/69/444608069.db2.gz LKMUAEYPAOVGOG-QGZVFWFLSA-N 2 0 341.496 1.310 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000341044777 444650436 /nfs/dbraw/zinc/65/04/36/444650436.db2.gz HHMWNBCEYZPUNK-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC000333378208 444662483 /nfs/dbraw/zinc/66/24/83/444662483.db2.gz NGCZRNDRCZLSNJ-BRWVUGGUSA-N 2 0 338.496 1.148 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)c1nc(C)nc(N(C)C)n1 ZINC000341034773 444643884 /nfs/dbraw/zinc/64/38/84/444643884.db2.gz AOELWAVHNAMKJM-UHFFFAOYSA-N 2 0 335.500 1.100 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000342460536 444700549 /nfs/dbraw/zinc/70/05/49/444700549.db2.gz HGZZTRXBRGUAJS-ZBFHGGJFSA-N 2 0 349.479 1.304 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333927424 444720855 /nfs/dbraw/zinc/72/08/55/444720855.db2.gz WJAWTKKLXDUKGL-SFFUCWETSA-N 2 0 334.508 1.938 20 0 EDADRP COc1cccc(COC[C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341197591 444723376 /nfs/dbraw/zinc/72/33/76/444723376.db2.gz VPYLINYQHQAYPJ-SFHVURJKSA-N 2 0 336.476 1.846 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000333936850 444723572 /nfs/dbraw/zinc/72/35/72/444723572.db2.gz KXRCHTFLOQCURP-MLHJIOFPSA-N 2 0 328.460 1.750 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000333939173 444724205 /nfs/dbraw/zinc/72/42/05/444724205.db2.gz NAAPWMHGWWOMDC-VQHPVUNQSA-N 2 0 336.480 1.151 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000338547805 444743760 /nfs/dbraw/zinc/74/37/60/444743760.db2.gz DPDUQZRBMRRQDS-UHFFFAOYSA-N 2 0 349.523 1.379 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccccc1 ZINC000341273546 444756762 /nfs/dbraw/zinc/75/67/62/444756762.db2.gz BURVFJFDOHTXPW-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000342587570 444759220 /nfs/dbraw/zinc/75/92/20/444759220.db2.gz QNBMYBVLYOKEQT-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1cccc(I)c1 ZINC000336699104 444794392 /nfs/dbraw/zinc/79/43/92/444794392.db2.gz KBDJAGATFVNZSN-UHFFFAOYSA-N 2 0 348.228 1.959 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000341404584 444812713 /nfs/dbraw/zinc/81/27/13/444812713.db2.gz NUQFZWNTBMQUQD-KRWDZBQOSA-N 2 0 337.512 1.955 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]CC3=CCCOC3)CC2)nc1 ZINC000344206479 444839244 /nfs/dbraw/zinc/83/92/44/444839244.db2.gz DUHQTYHHQGSRIW-UHFFFAOYSA-N 2 0 331.464 1.315 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CNCC3(O)CC[NH+](C)CC3)sc2C1 ZINC000344214184 444843715 /nfs/dbraw/zinc/84/37/15/444843715.db2.gz REABEHYNVMTZCI-UHFFFAOYSA-N 2 0 338.521 1.456 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000342772856 444860051 /nfs/dbraw/zinc/86/00/51/444860051.db2.gz BDEVCZKHBHXBJE-NJAFHUGGSA-N 2 0 335.492 1.715 20 0 EDADRP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341630299 444925788 /nfs/dbraw/zinc/92/57/88/444925788.db2.gz AWDIHUCQXBMGAW-GOSISDBHSA-N 2 0 331.460 1.707 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CC)C[C@H]3C)cc2)CC1 ZINC000341779481 444998228 /nfs/dbraw/zinc/99/82/28/444998228.db2.gz ZWAPOSJKMPLKLJ-QGZVFWFLSA-N 2 0 344.503 1.995 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343031388 445018263 /nfs/dbraw/zinc/01/82/63/445018263.db2.gz AWWNDBXZEYMCSU-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343096505 445062445 /nfs/dbraw/zinc/06/24/45/445062445.db2.gz QUEFHFMNMXYAGS-RBUKOAKNSA-N 2 0 342.487 1.157 20 0 EDADRP O=C(C[NH2+][C@@H]1CCCC[C@H]1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000337422844 445073705 /nfs/dbraw/zinc/07/37/05/445073705.db2.gz RMVAIMXHIJNKGP-HUUCEWRRSA-N 2 0 345.434 1.869 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000339577326 445151322 /nfs/dbraw/zinc/15/13/22/445151322.db2.gz XKQIDSHLSQIFQN-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173136 445207396 /nfs/dbraw/zinc/20/73/96/445207396.db2.gz CIZYYLGAPUVVKA-NBMJBFSESA-N 2 0 349.519 1.819 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)CCO1 ZINC000346938815 445228195 /nfs/dbraw/zinc/22/81/95/445228195.db2.gz UGTWYKIHDQMHCG-AOIWGVFYSA-N 2 0 349.523 1.456 20 0 EDADRP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)C[C@H](O)C(F)(F)F)CCCN1C ZINC000346932174 445228233 /nfs/dbraw/zinc/22/82/33/445228233.db2.gz PXDOEOBYRMTDLG-UBHSHLNASA-N 2 0 334.386 1.658 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000343490558 445233022 /nfs/dbraw/zinc/23/30/22/445233022.db2.gz AQHYFJVVJVZJGK-RDJZCZTQSA-N 2 0 333.480 1.194 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000347690096 445245008 /nfs/dbraw/zinc/24/50/08/445245008.db2.gz RXOPPCIRSCTJHU-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343567966 445245630 /nfs/dbraw/zinc/24/56/30/445245630.db2.gz OMDJAWCGEAKMMF-SJORKVTESA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[N@@H+]1C ZINC000343625856 445269395 /nfs/dbraw/zinc/26/93/95/445269395.db2.gz NPCJHCLHTBFJRB-YJBOKZPZSA-N 2 0 345.491 1.828 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343640215 445276375 /nfs/dbraw/zinc/27/63/75/445276375.db2.gz LWPQPPSELSTQLA-RTBURBONSA-N 2 0 342.487 1.157 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC)nc1 ZINC000351806603 445327869 /nfs/dbraw/zinc/32/78/69/445327869.db2.gz FYLDCUHGAGVHBK-INIZCTEOSA-N 2 0 333.480 1.611 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000351960795 445401590 /nfs/dbraw/zinc/40/15/90/445401590.db2.gz WIPKKWGSXFGIGD-QAPCUYQASA-N 2 0 331.460 1.211 20 0 EDADRP Cc1nn(C)c(C)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000348847307 445412837 /nfs/dbraw/zinc/41/28/37/445412837.db2.gz JBDJGDRRTKBASM-UHFFFAOYSA-N 2 0 333.524 1.886 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000354836089 445416915 /nfs/dbraw/zinc/41/69/15/445416915.db2.gz AVXFHGJMXBNWEW-OALUTQOASA-N 2 0 344.503 1.574 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@@H](C)O1 ZINC000362557912 445439018 /nfs/dbraw/zinc/43/90/18/445439018.db2.gz DWCMYJITMXKHLK-RBSFLKMASA-N 2 0 349.479 1.106 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362565264 445442834 /nfs/dbraw/zinc/44/28/34/445442834.db2.gz AEPDYSKTCRZINY-HUUCEWRRSA-N 2 0 349.479 1.060 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000359914588 445485788 /nfs/dbraw/zinc/48/57/88/445485788.db2.gz UWSNKRNDAHCWMS-CVEARBPZSA-N 2 0 328.501 1.253 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000357240120 445500812 /nfs/dbraw/zinc/50/08/12/445500812.db2.gz JLUHYEREABWFJZ-NEWSRXKRSA-N 2 0 345.487 1.876 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362802707 445556374 /nfs/dbraw/zinc/55/63/74/445556374.db2.gz VEMCCYRFPPTKFZ-GOEBONIOSA-N 2 0 331.464 1.554 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356040469 445585530 /nfs/dbraw/zinc/58/55/30/445585530.db2.gz SRLLVHYXRHCUIR-VQIMIIECSA-N 2 0 348.491 1.263 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000360170462 445610175 /nfs/dbraw/zinc/61/01/75/445610175.db2.gz JFRQTYLEQILBOS-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000356088796 445613186 /nfs/dbraw/zinc/61/31/86/445613186.db2.gz JSABABSQEUPUAQ-RDJZCZTQSA-N 2 0 340.512 1.658 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353526686 445642839 /nfs/dbraw/zinc/64/28/39/445642839.db2.gz RWKABDJHLLVHFM-BPQIPLTHSA-N 2 0 336.524 1.012 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353520756 445639753 /nfs/dbraw/zinc/63/97/53/445639753.db2.gz OUIKWMYRNORHCK-RBUKOAKNSA-N 2 0 342.487 1.798 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000353424839 445595674 /nfs/dbraw/zinc/59/56/74/445595674.db2.gz GGXFSWZBSLRDRY-YYIAUSFCSA-N 2 0 325.497 1.626 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000356181127 445665187 /nfs/dbraw/zinc/66/51/87/445665187.db2.gz NWOFMKBUHGJTRG-KRWDZBQOSA-N 2 0 345.422 1.657 20 0 EDADRP CCc1nc([C@@H]2CCCN([C@@H](C)C(=O)N3CCN(CC)CC3)C2)no1 ZINC000363107251 445680818 /nfs/dbraw/zinc/68/08/18/445680818.db2.gz DQTALJHZFPPYER-LSDHHAIUSA-N 2 0 349.479 1.364 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Br)cn1 ZINC000349814679 445687045 /nfs/dbraw/zinc/68/70/45/445687045.db2.gz VLHFNNQJCUAFEX-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C12CCC2 ZINC000353670411 445700447 /nfs/dbraw/zinc/70/04/47/445700447.db2.gz HFNDJAGSRLWTNK-DLBZAZTESA-N 2 0 337.508 1.916 20 0 EDADRP CCOC(=O)[C@@H](C)N(C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000353676490 445702530 /nfs/dbraw/zinc/70/25/30/445702530.db2.gz NXGLRYXEXSDUFM-OAHLLOKOSA-N 2 0 348.447 1.004 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884671 445711674 /nfs/dbraw/zinc/71/16/74/445711674.db2.gz RUWVMRQYZXLYKV-ZIFCJYIRSA-N 2 0 339.524 1.407 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000349883950 445711808 /nfs/dbraw/zinc/71/18/08/445711808.db2.gz PTLKZRXFCKLNMO-SWDXFRIISA-N 2 0 339.524 1.405 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349899633 445715762 /nfs/dbraw/zinc/71/57/62/445715762.db2.gz WLZBWPSBMLUEKR-BBWFWOEESA-N 2 0 325.497 1.819 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000358601837 445670198 /nfs/dbraw/zinc/67/01/98/445670198.db2.gz RAGQFNYQHZQUAB-UHFFFAOYSA-N 2 0 334.420 1.436 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363081948 445670413 /nfs/dbraw/zinc/67/04/13/445670413.db2.gz VHLGRZDORSCPMY-IRXDYDNUSA-N 2 0 335.492 1.765 20 0 EDADRP Cc1cccn2c(C[NH2+][C@@H]3CCCc4c3cnn4CCO)cnc12 ZINC000363264924 445746340 /nfs/dbraw/zinc/74/63/40/445746340.db2.gz USHOPYFDERZPAO-MRXNPFEDSA-N 2 0 325.416 1.999 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C[C@H]21 ZINC000350033877 445753547 /nfs/dbraw/zinc/75/35/47/445753547.db2.gz OBKAGVGLTBDRGB-RBSFLKMASA-N 2 0 338.477 1.075 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000350153120 445781354 /nfs/dbraw/zinc/78/13/54/445781354.db2.gz LBAZKMGYKGURSW-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000350180073 445787463 /nfs/dbraw/zinc/78/74/63/445787463.db2.gz CYAKIKNUTMGLSL-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2cc(C)on2)C1 ZINC000350222384 445796158 /nfs/dbraw/zinc/79/61/58/445796158.db2.gz SCZNLAIVRISGCU-HNNXBMFYSA-N 2 0 338.452 1.744 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000363457268 445812794 /nfs/dbraw/zinc/81/27/94/445812794.db2.gz RRKFNZKRQLVIMD-ICSRJNTNSA-N 2 0 331.504 1.854 20 0 EDADRP COCC1(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000358860500 445815640 /nfs/dbraw/zinc/81/56/40/445815640.db2.gz VISXLJLLLUJFRR-UHFFFAOYSA-N 2 0 346.475 1.178 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000356570016 445863958 /nfs/dbraw/zinc/86/39/58/445863958.db2.gz BAKMNZDWTUIUCJ-KRWDZBQOSA-N 2 0 326.529 1.449 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358959126 445865053 /nfs/dbraw/zinc/86/50/53/445865053.db2.gz QAGUNWFRZLKLAE-OAHLLOKOSA-N 2 0 327.517 1.040 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000364175008 445899646 /nfs/dbraw/zinc/89/96/46/445899646.db2.gz YWHCLPCULAJRPA-GRDNDAEWSA-N 2 0 349.425 1.916 20 0 EDADRP Cc1ccc(CCC[NH2+][C@@H]2CCCN(c3ccn(C)n3)C2=O)cn1 ZINC000361796698 445954174 /nfs/dbraw/zinc/95/41/74/445954174.db2.gz HPZCYSZXIPPCLU-MRXNPFEDSA-N 2 0 327.432 1.841 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+](C)C ZINC000369164227 445964268 /nfs/dbraw/zinc/96/42/68/445964268.db2.gz OJYAQNLYFTYDNA-ZWKOTPCHSA-N 2 0 332.492 1.996 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000351005730 445969260 /nfs/dbraw/zinc/96/92/60/445969260.db2.gz OZHBMLPRLYAKCJ-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP CN(C[C@@H]1CC2(CC2)C(=O)O1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000373010109 445973604 /nfs/dbraw/zinc/97/36/04/445973604.db2.gz BGPQXXNLXIKBIA-PXNSSMCTSA-N 2 0 344.455 1.651 20 0 EDADRP CC(C)[C@@H]1CN([C@@H](C)C(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000351102762 445990995 /nfs/dbraw/zinc/99/09/95/445990995.db2.gz QHPSLFRGCIGHBK-IRXDYDNUSA-N 2 0 346.475 1.476 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)OC(F)(F)O2 ZINC000582945044 325963470 /nfs/dbraw/zinc/96/34/70/325963470.db2.gz PGOIJVPIKWXIRW-UHFFFAOYSA-N 2 0 343.374 1.574 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)Cc1ccccc1 ZINC000366087337 446004535 /nfs/dbraw/zinc/00/45/35/446004535.db2.gz JPYAQJZXLCOELJ-LJQANCHMSA-N 2 0 330.476 1.856 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)c2cccc(-n3ccnc3)c2)[N@H+](C)C1 ZINC000583456294 326076879 /nfs/dbraw/zinc/07/68/79/326076879.db2.gz RNEXADJAURGSTK-IRXDYDNUSA-N 2 0 328.416 1.663 20 0 EDADRP [NH3+]C1(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C2CC3CC(C2)CC1C3 ZINC000583498896 326085240 /nfs/dbraw/zinc/08/52/40/326085240.db2.gz BQKISQSSYLJNJG-SOOXJFLOSA-N 2 0 343.475 1.370 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC000583635703 326109439 /nfs/dbraw/zinc/10/94/39/326109439.db2.gz RGIHDVPKICPKOH-RYRKJORJSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000583646517 326111592 /nfs/dbraw/zinc/11/15/92/326111592.db2.gz UYRDKDHIVPBHFC-WBVHZDCISA-N 2 0 343.475 1.190 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000583801518 326141659 /nfs/dbraw/zinc/14/16/59/326141659.db2.gz OGNXLAIKIPLRAE-NEWSRXKRSA-N 2 0 344.503 1.930 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CCNS(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000583866263 326154808 /nfs/dbraw/zinc/15/48/08/326154808.db2.gz KZQBFLDVCZQQBY-HNNXBMFYSA-N 2 0 337.489 1.429 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000356836179 446057646 /nfs/dbraw/zinc/05/76/46/446057646.db2.gz HBWPEIJPTBZGPQ-ZWKOTPCHSA-N 2 0 332.492 1.998 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000584042314 326188062 /nfs/dbraw/zinc/18/80/62/326188062.db2.gz VTLUTGNJYBUUBX-QZTJIDSGSA-N 2 0 330.476 1.826 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584290029 326236555 /nfs/dbraw/zinc/23/65/55/326236555.db2.gz XQKWOLGQRSASMT-TVEAVKIZSA-N 2 0 335.492 1.367 20 0 EDADRP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351474802 446075802 /nfs/dbraw/zinc/07/58/02/446075802.db2.gz GZWGDGOLSIXYAO-AETAKHFUSA-N 2 0 340.471 1.884 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000366212997 446085662 /nfs/dbraw/zinc/08/56/62/446085662.db2.gz XRPZPFCCFPGRIT-ROUUACIJSA-N 2 0 346.475 1.452 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369654413 446139765 /nfs/dbraw/zinc/13/97/65/446139765.db2.gz LIVCSTXTOOFYHB-GOEBONIOSA-N 2 0 348.495 2.000 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372574 446111985 /nfs/dbraw/zinc/11/19/85/446111985.db2.gz KBVUWCAHADJQTL-SOLBZPMBSA-N 2 0 349.523 1.033 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359370774 446179888 /nfs/dbraw/zinc/17/98/88/446179888.db2.gz AWZOEHKMXVFAFD-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365390765 446183448 /nfs/dbraw/zinc/18/34/48/446183448.db2.gz KOXNBNTVQYLFKT-AEFFLSMTSA-N 2 0 347.507 1.781 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000369663079 446143681 /nfs/dbraw/zinc/14/36/81/446143681.db2.gz SKBQJOGPXXZQLV-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000366323544 446151193 /nfs/dbraw/zinc/15/11/93/446151193.db2.gz MQEUGEDNLZBLGG-CVEARBPZSA-N 2 0 336.505 1.490 20 0 EDADRP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000366325346 446151665 /nfs/dbraw/zinc/15/16/65/446151665.db2.gz PKZJMRIOGKHPLG-IBGZPJMESA-N 2 0 345.487 1.658 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@@H](C)C1 ZINC000354439217 446204329 /nfs/dbraw/zinc/20/43/29/446204329.db2.gz VCXDKGSKMAPKCK-MLHJIOFPSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)CCCSC1 ZINC000362117642 446223044 /nfs/dbraw/zinc/22/30/44/446223044.db2.gz KAUDPTPTWDIWPI-DOTOQJQBSA-N 2 0 343.537 1.167 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000366479262 446230984 /nfs/dbraw/zinc/23/09/84/446230984.db2.gz GJPMKIXGYNBLNV-MAUKXSAKSA-N 2 0 335.492 1.763 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@@H](CO)C(C)C)CC1 ZINC000362175607 446247558 /nfs/dbraw/zinc/24/75/58/446247558.db2.gz FMTLNKNPYMGJAJ-IBGZPJMESA-N 2 0 347.503 1.636 20 0 EDADRP C[C@H]1CN(Cc2c[nH]c3nccnc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365661348 446291494 /nfs/dbraw/zinc/29/14/94/446291494.db2.gz QNYHVOCWJCQGPD-HOCLYGCPSA-N 2 0 328.464 1.367 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000370602607 446352780 /nfs/dbraw/zinc/35/27/80/446352780.db2.gz PMEDCYPGLHIUHN-GOSISDBHSA-N 2 0 349.475 1.352 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417500447 446355644 /nfs/dbraw/zinc/35/56/44/446355644.db2.gz INWOQVZJTKRGPO-QZTJIDSGSA-N 2 0 332.492 1.834 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)[NH+](C)C)c1 ZINC000370612608 446358023 /nfs/dbraw/zinc/35/80/23/446358023.db2.gz OJBUDJIVDJZZEV-ROUUACIJSA-N 2 0 331.460 1.756 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000417819568 446374189 /nfs/dbraw/zinc/37/41/89/446374189.db2.gz XLSMHDQGPOQZLD-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000370670539 446380390 /nfs/dbraw/zinc/38/03/90/446380390.db2.gz DLYNXHLHPIJEAI-JYBIWHBTSA-N 2 0 348.487 1.905 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000376208838 446380755 /nfs/dbraw/zinc/38/07/55/446380755.db2.gz HWUIBVUSGMFXLT-FUHWJXTLSA-N 2 0 335.423 1.650 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417917005 446384883 /nfs/dbraw/zinc/38/48/83/446384883.db2.gz VXTRLYKGWJMTDR-HZPDHXFCSA-N 2 0 340.512 1.571 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000417935269 446391078 /nfs/dbraw/zinc/39/10/78/446391078.db2.gz GOLPQBSTMNZKBP-ZJPYXAASSA-N 2 0 328.460 1.683 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)NCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951434 446397326 /nfs/dbraw/zinc/39/73/26/446397326.db2.gz NEFZAKGDPQEMJE-FZMZJTMJSA-N 2 0 328.819 1.730 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000417952143 446397474 /nfs/dbraw/zinc/39/74/74/446397474.db2.gz XULBEUUHNWUFHZ-OWSLCNJRSA-N 2 0 328.460 1.968 20 0 EDADRP COC[C@@]1(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000418059525 446427057 /nfs/dbraw/zinc/42/70/57/446427057.db2.gz ATTCUKICIZOGIG-KRWDZBQOSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000370774601 446431431 /nfs/dbraw/zinc/43/14/31/446431431.db2.gz SHGKIQBQFRIYOT-BVBHFADKSA-N 2 0 345.487 1.562 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000423126334 446432385 /nfs/dbraw/zinc/43/23/85/446432385.db2.gz IPCOXFOGTCQMRJ-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000418110739 446440914 /nfs/dbraw/zinc/44/09/14/446440914.db2.gz FVWIIURUOLIBGE-HNNXBMFYSA-N 2 0 346.475 1.590 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000370789273 446443386 /nfs/dbraw/zinc/44/33/86/446443386.db2.gz WMOUUZOKFHXTHO-IRXDYDNUSA-N 2 0 333.501 1.814 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366985532 446444154 /nfs/dbraw/zinc/44/41/54/446444154.db2.gz AJKUBXUTJWMWED-KSZLIROESA-N 2 0 329.444 1.098 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(Cc3csc(C(=O)OC)c3)C2)CC1 ZINC000411254582 446447617 /nfs/dbraw/zinc/44/76/17/446447617.db2.gz NXSVRSFQZBGTNS-OAHLLOKOSA-N 2 0 337.489 1.747 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000418057714 446426672 /nfs/dbraw/zinc/42/66/72/446426672.db2.gz NFKWFERXRIDRCC-ROUUACIJSA-N 2 0 330.476 1.542 20 0 EDADRP CSC1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CC[NH+](C)CC1 ZINC000418204361 446456916 /nfs/dbraw/zinc/45/69/16/446456916.db2.gz XNRULQVROSRTDB-UHFFFAOYSA-N 2 0 340.537 1.599 20 0 EDADRP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420301189 446463161 /nfs/dbraw/zinc/46/31/61/446463161.db2.gz LDHROOGDIPLPHS-ZWKOTPCHSA-N 2 0 345.487 1.906 20 0 EDADRP CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)NCC1([NH3+])CCC1 ZINC000420309219 446472225 /nfs/dbraw/zinc/47/22/25/446472225.db2.gz ONZMCKHQQMBNNF-AWEZNQCLSA-N 2 0 346.475 1.505 20 0 EDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423282337 446472392 /nfs/dbraw/zinc/47/23/92/446472392.db2.gz WLEBKUZUAXMWIV-KBPBESRZSA-N 2 0 325.478 1.733 20 0 EDADRP CCc1ccc([C@H](CNC(=O)COC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423298981 446477814 /nfs/dbraw/zinc/47/78/14/446477814.db2.gz BBZPNGUNHJTFLF-SFHVURJKSA-N 2 0 333.476 1.737 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418289880 446486085 /nfs/dbraw/zinc/48/60/85/446486085.db2.gz JWYJOWNPIQNJSK-INIZCTEOSA-N 2 0 333.480 1.592 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCCSC1 ZINC000367043927 446486335 /nfs/dbraw/zinc/48/63/35/446486335.db2.gz CCTHXFKBMSVAHP-KRWDZBQOSA-N 2 0 325.522 1.804 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000423319193 446486857 /nfs/dbraw/zinc/48/68/57/446486857.db2.gz DCKRREWGDUQRSV-OWCLPIDISA-N 2 0 347.507 1.880 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323608 446490011 /nfs/dbraw/zinc/49/00/11/446490011.db2.gz GIILQHLHDNCPME-ILMPWQCYSA-N 2 0 337.508 1.898 20 0 EDADRP CCOCc1ccc(CNC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420325192 446491670 /nfs/dbraw/zinc/49/16/70/446491670.db2.gz BEYXKDIHASQYHO-KDURUIRLSA-N 2 0 345.487 1.771 20 0 EDADRP CCC[C@H]1CN(C(=O)NCCC[NH2+]C2CC2)CC[N@@H+]1CCOC ZINC000418295837 446489159 /nfs/dbraw/zinc/48/91/59/446489159.db2.gz FJIJKRHACUGXRE-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326156 446492796 /nfs/dbraw/zinc/49/27/96/446492796.db2.gz XDSLKYPHWOBLKQ-ZWKOTPCHSA-N 2 0 336.524 1.395 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000418332509 446503873 /nfs/dbraw/zinc/50/38/73/446503873.db2.gz SORKLOWAJYLXHM-QGZVFWFLSA-N 2 0 333.480 1.768 20 0 EDADRP C[NH2+]CCN(C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000420338356 446507605 /nfs/dbraw/zinc/50/76/05/446507605.db2.gz OESCAYJIULLLON-INIZCTEOSA-N 2 0 332.492 1.307 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000418344128 446508295 /nfs/dbraw/zinc/50/82/95/446508295.db2.gz FZHHCUNROJKJTG-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418352884 446510498 /nfs/dbraw/zinc/51/04/98/446510498.db2.gz CMYSRVOEUJXYGQ-HOCLYGCPSA-N 2 0 340.512 1.381 20 0 EDADRP Cc1cccc(OCCNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420338963 446510469 /nfs/dbraw/zinc/51/04/69/446510469.db2.gz LCAMLMGHGFOQGM-LJQANCHMSA-N 2 0 345.487 1.954 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418350843 446510668 /nfs/dbraw/zinc/51/06/68/446510668.db2.gz RHHQUDZRIROTCJ-MRXNPFEDSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCC[NH2+]C1 ZINC000418354478 446512070 /nfs/dbraw/zinc/51/20/70/446512070.db2.gz WKKOYHRPFSWCBC-ASSUQBBCSA-N 2 0 334.508 1.827 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388061 446512356 /nfs/dbraw/zinc/51/23/56/446512356.db2.gz MOVBIZVYHHVFBS-CABCVRRESA-N 3 0 325.497 1.676 20 0 EDADRP CC(C)(C(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)[C@H]([NH3+])c1ccccc1 ZINC000423388848 446513736 /nfs/dbraw/zinc/51/37/36/446513736.db2.gz JCVMELWFLHQVCP-JKSUJKDBSA-N 2 0 346.475 1.169 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418479054 446558307 /nfs/dbraw/zinc/55/83/07/446558307.db2.gz XYFIMQBRAINACS-HNNXBMFYSA-N 2 0 326.485 1.115 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C(C)C ZINC000420384925 446561532 /nfs/dbraw/zinc/56/15/32/446561532.db2.gz FMLICJWVBOLZND-SJORKVTESA-N 2 0 337.508 1.580 20 0 EDADRP C[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1[NH3+] ZINC000420388348 446562996 /nfs/dbraw/zinc/56/29/96/446562996.db2.gz WSYZECZRZZVSJH-RHSMWYFYSA-N 2 0 348.516 1.453 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)C[NH3+] ZINC000418492176 446564043 /nfs/dbraw/zinc/56/40/43/446564043.db2.gz PECUETOKIGNVPL-WBVHZDCISA-N 2 0 333.480 1.672 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1ccccc1 ZINC000423400699 446517788 /nfs/dbraw/zinc/51/77/88/446517788.db2.gz WTKZFBOSGICWHP-ROUUACIJSA-N 2 0 333.476 1.940 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N[C@H]1CCOc2ccccc21 ZINC000420347571 446523780 /nfs/dbraw/zinc/52/37/80/446523780.db2.gz YQLQGVIZAMSMED-UXLLHSPISA-N 2 0 329.444 1.558 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000423416396 446524529 /nfs/dbraw/zinc/52/45/29/446524529.db2.gz CMDMDVOGFYDTSZ-JKSUJKDBSA-N 2 0 345.491 1.967 20 0 EDADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349520 446526041 /nfs/dbraw/zinc/52/60/41/446526041.db2.gz PIXSAAHHCNJFTL-ZHALLVOQSA-N 2 0 344.503 1.274 20 0 EDADRP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420350053 446528572 /nfs/dbraw/zinc/52/85/72/446528572.db2.gz RFXUTNWEXGEWIO-INIZCTEOSA-N 2 0 346.475 1.393 20 0 EDADRP [NH3+]C1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418401182 446530109 /nfs/dbraw/zinc/53/01/09/446530109.db2.gz NIWINDZTRZYLIJ-TVPLGVNVSA-N 2 0 346.475 1.193 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426604 446530805 /nfs/dbraw/zinc/53/08/05/446530805.db2.gz NAFPKJPOVDWHTC-PXTPFGJHSA-N 2 0 329.488 1.457 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418404616 446532896 /nfs/dbraw/zinc/53/28/96/446532896.db2.gz CXTFIAVZOXYQJK-DIQFNYNJSA-N 2 0 332.492 1.928 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@@H](O)C[NH3+] ZINC000420354116 446532967 /nfs/dbraw/zinc/53/29/67/446532967.db2.gz ODRWFHPOKOJCFN-JTQLQIEISA-N 2 0 348.216 1.168 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418416242 446535490 /nfs/dbraw/zinc/53/54/90/446535490.db2.gz UBLOLQGSCWWIEI-CVEARBPZSA-N 2 0 328.501 1.504 20 0 EDADRP COc1cccc(OCCN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420357199 446538614 /nfs/dbraw/zinc/53/86/14/446538614.db2.gz HQOFMZMSLPIROR-KRWDZBQOSA-N 2 0 333.476 1.691 20 0 EDADRP CC(CC[NH+]1CCSC[C@@H]1CO)CC[N@@H+]1CCSC[C@@H]1CO ZINC000411432959 446539817 /nfs/dbraw/zinc/53/98/17/446539817.db2.gz XBLNCIXVLSKVCN-HOTGVXAUSA-N 2 0 348.578 1.222 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000433163230 446540120 /nfs/dbraw/zinc/54/01/20/446540120.db2.gz WTHSPEPPSJVAFC-SFHVURJKSA-N 2 0 332.492 1.433 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000433164619 446540574 /nfs/dbraw/zinc/54/05/74/446540574.db2.gz SDYDBNLPFONCCQ-UHFFFAOYSA-N 3 0 336.524 1.524 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)Cc3cnccn3)cn2)CC1 ZINC000453069700 446541205 /nfs/dbraw/zinc/54/12/05/446541205.db2.gz ULRJITWJIFIMJD-MRXNPFEDSA-N 2 0 340.475 1.734 20 0 EDADRP COC1([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CCOCC1 ZINC000453076618 446543339 /nfs/dbraw/zinc/54/33/39/446543339.db2.gz JIPGFUCNAFRRRJ-MRXNPFEDSA-N 2 0 348.491 1.507 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)CCC[NH+]2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000433180943 446545352 /nfs/dbraw/zinc/54/53/52/446545352.db2.gz WPSQFTWXCQNKEO-QFBILLFUSA-N 3 0 338.540 1.816 20 0 EDADRP OCC[NH+]1CCC(CN[C@@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453103824 446545565 /nfs/dbraw/zinc/54/55/65/446545565.db2.gz SHKHTRIRJIEHPS-QGZVFWFLSA-N 2 0 333.411 1.327 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376253 446552852 /nfs/dbraw/zinc/55/28/52/446552852.db2.gz QFHPRKXABZWRPJ-WJMWBRGCSA-N 2 0 343.515 1.866 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCCO)C2)[C@@H](C)C1 ZINC000453252231 446553717 /nfs/dbraw/zinc/55/37/17/446553717.db2.gz BWOXOVHZCLCKLH-FHWLQOOXSA-N 2 0 341.540 1.560 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423497251 446555331 /nfs/dbraw/zinc/55/53/31/446555331.db2.gz YOBWKYDTTMSDJM-GZBFAFLISA-N 2 0 325.478 1.715 20 0 EDADRP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N(C1CC1)C1CCCC1 ZINC000420392624 446568794 /nfs/dbraw/zinc/56/87/94/446568794.db2.gz WEJNZUPWESMWRE-MSOLQXFVSA-N 2 0 347.503 1.620 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418621637 446618498 /nfs/dbraw/zinc/61/84/98/446618498.db2.gz SYMOGHXICUUSAF-XIRDDKMYSA-N 2 0 339.528 1.312 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000433463742 446576866 /nfs/dbraw/zinc/57/68/66/446576866.db2.gz AHQWKBFNCCTFGF-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418529282 446581181 /nfs/dbraw/zinc/58/11/81/446581181.db2.gz SZKOMIGUQIYCJT-QUCCMNQESA-N 2 0 342.487 1.904 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C[C@@H]1CC ZINC000418531161 446582862 /nfs/dbraw/zinc/58/28/62/446582862.db2.gz WHJVJJFCKNGLJM-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418530804 446583394 /nfs/dbraw/zinc/58/33/94/446583394.db2.gz VOTKTJQJXQARKP-KRWDZBQOSA-N 2 0 338.496 1.130 20 0 EDADRP C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000420412036 446584966 /nfs/dbraw/zinc/58/49/66/446584966.db2.gz RZFHIORUYLXNBF-GDBMZVCRSA-N 2 0 332.448 1.319 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N3CC[C@H](C)[C@@H](C[NH3+])C3)C2=O)c1 ZINC000420416908 446589715 /nfs/dbraw/zinc/58/97/15/446589715.db2.gz WBBRTKHELGDRSR-DEYYWGMASA-N 2 0 347.459 1.726 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418555438 446592055 /nfs/dbraw/zinc/59/20/55/446592055.db2.gz DTGPAVYISAACSH-PBHICJAKSA-N 2 0 336.455 1.897 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418558116 446593377 /nfs/dbraw/zinc/59/33/77/446593377.db2.gz SHDUFGGVMIMGTL-WMZOPIPTSA-N 2 0 328.460 1.916 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000418571971 446599170 /nfs/dbraw/zinc/59/91/70/446599170.db2.gz KCHMZUXLEGQNKE-QAPCUYQASA-N 2 0 348.491 1.766 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000418573143 446599684 /nfs/dbraw/zinc/59/96/84/446599684.db2.gz ZTELKSUPOLEROM-MGHWNKPDSA-N 2 0 346.475 1.438 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC[N@@H+]1CCOC ZINC000418594388 446606343 /nfs/dbraw/zinc/60/63/43/446606343.db2.gz NFRNLVJDHGYQTB-ARFHVFGLSA-N 2 0 326.485 1.127 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000423748228 446677828 /nfs/dbraw/zinc/67/78/28/446677828.db2.gz QJVZXEQPGCWRSN-ZUBZBLCWSA-N 2 0 325.497 1.756 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCCN(CC(=O)N2CCNC2=O)CC1 ZINC000371102503 446629310 /nfs/dbraw/zinc/62/93/10/446629310.db2.gz ZWAIETPLSMMFIS-QGZVFWFLSA-N 2 0 344.459 1.525 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000418650931 446632798 /nfs/dbraw/zinc/63/27/98/446632798.db2.gz XFTCLSFCZQJIJB-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000418654346 446635289 /nfs/dbraw/zinc/63/52/89/446635289.db2.gz PQDGOZYRSAFQDG-HDMKZQKVSA-N 2 0 348.491 1.345 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418774495 446692685 /nfs/dbraw/zinc/69/26/85/446692685.db2.gz YSHFIPSGLKAYPY-YESZJQIVSA-N 2 0 340.512 1.565 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)cn1 ZINC000418778649 446697772 /nfs/dbraw/zinc/69/77/72/446697772.db2.gz AOMJOCRDMCCKIQ-RDJZCZTQSA-N 2 0 348.495 1.248 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000423801687 446698598 /nfs/dbraw/zinc/69/85/98/446698598.db2.gz NNNIAQUYFLTISO-YYAJDYIMSA-N 2 0 337.508 1.756 20 0 EDADRP CCOC(=O)CCCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371261263 446721560 /nfs/dbraw/zinc/72/15/60/446721560.db2.gz WJMRUAXTZGBVCN-QGZVFWFLSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000423834444 446722596 /nfs/dbraw/zinc/72/25/96/446722596.db2.gz ULJTYEPTWWSVRG-MORSLUCNSA-N 2 0 331.460 1.945 20 0 EDADRP CN(C)[C@@H](CNC(=O)NCc1cnc2n1CCCC2)c1ccco1 ZINC000376798577 446724133 /nfs/dbraw/zinc/72/41/33/446724133.db2.gz HJVZJFPRPJGJRV-AWEZNQCLSA-N 2 0 331.420 1.915 20 0 EDADRP COCC[NH2+]CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423847927 446730188 /nfs/dbraw/zinc/73/01/88/446730188.db2.gz MUXIMGZOYOTZRW-UHFFFAOYSA-N 2 0 345.487 1.737 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1(N2CCOCC2)CCC1)c1cccc(F)c1 ZINC000376811639 446733977 /nfs/dbraw/zinc/73/39/77/446733977.db2.gz RDXDNYNYIIZGEZ-KRWDZBQOSA-N 2 0 349.450 1.800 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)C2C[NH2+]C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000368168639 446682302 /nfs/dbraw/zinc/68/23/02/446682302.db2.gz SKHKEFMEKFSIHE-MRXNPFEDSA-N 2 0 330.432 1.011 20 0 EDADRP COCC[NH2+]CC(=O)NCC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423894613 446748287 /nfs/dbraw/zinc/74/82/87/446748287.db2.gz DZAFLQVEJARILV-WMZOPIPTSA-N 2 0 333.476 1.639 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000423900434 446752453 /nfs/dbraw/zinc/75/24/53/446752453.db2.gz KAQDKPAPKIPPQX-NXHRZFHOSA-N 2 0 331.460 1.392 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])c1ccccc1 ZINC000418862789 446759263 /nfs/dbraw/zinc/75/92/63/446759263.db2.gz OPFTVYVEOOQJOG-GDBMZVCRSA-N 2 0 334.464 1.039 20 0 EDADRP CC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)CCC[NH2+]1 ZINC000423934987 446787226 /nfs/dbraw/zinc/78/72/26/446787226.db2.gz XRGUPUGALUFNGP-LESCRADOSA-N 2 0 333.480 1.451 20 0 EDADRP COC1([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000412025084 446791045 /nfs/dbraw/zinc/79/10/45/446791045.db2.gz PABYULYNYPYQTI-DOTOQJQBSA-N 2 0 333.476 1.953 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)COC(C)(C)C)CC2)CC1 ZINC000368332409 446791550 /nfs/dbraw/zinc/79/15/50/446791550.db2.gz NQERZROOVDHYRN-KRWDZBQOSA-N 2 0 341.540 1.512 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418939982 446813770 /nfs/dbraw/zinc/81/37/70/446813770.db2.gz RPGUYRRHDRSNMX-HUUCEWRRSA-N 2 0 326.485 1.001 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016144 446824105 /nfs/dbraw/zinc/82/41/05/446824105.db2.gz BRWKIGFXRYVHNS-MRXNPFEDSA-N 3 0 332.492 1.484 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000438885849 446803259 /nfs/dbraw/zinc/80/32/59/446803259.db2.gz VPZNZNVDDUNVMY-KRWDZBQOSA-N 2 0 344.459 1.265 20 0 EDADRP C[N@H+](CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)Cc1ccccc1 ZINC000368420459 446852944 /nfs/dbraw/zinc/85/29/44/446852944.db2.gz UWMYFTAHIZLWND-SQGPQFPESA-N 2 0 345.487 1.767 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000419003613 446859332 /nfs/dbraw/zinc/85/93/32/446859332.db2.gz QNDNDXMXHOSVAA-IAGOWNOFSA-N 2 0 346.475 1.011 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000424443367 446871147 /nfs/dbraw/zinc/87/11/47/446871147.db2.gz XPCUHOWTSRVJAY-HNNXBMFYSA-N 2 0 346.475 1.773 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424451257 446872719 /nfs/dbraw/zinc/87/27/19/446872719.db2.gz BAHDDMFDLNIAHV-CQSZACIVSA-N 2 0 334.464 1.629 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424483494 446880138 /nfs/dbraw/zinc/88/01/38/446880138.db2.gz XZLNDXWHPFYPBR-FUHWJXTLSA-N 2 0 328.460 1.654 20 0 EDADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000368467254 446880707 /nfs/dbraw/zinc/88/07/07/446880707.db2.gz VXRVBQXRLRIEJT-BRWVUGGUSA-N 2 0 337.508 1.772 20 0 EDADRP O=C(NCCN1CCc2sccc2C1)N1CC[NH+]2CCC1CC2 ZINC000377106686 446924274 /nfs/dbraw/zinc/92/42/74/446924274.db2.gz QVZPERDZIWAIHN-UHFFFAOYSA-N 2 0 334.489 1.596 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)ccn1 ZINC000371545008 446924625 /nfs/dbraw/zinc/92/46/25/446924625.db2.gz GYKHNLPIAQMIPS-GDBMZVCRSA-N 2 0 332.448 1.188 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1Cc1cccc(CN2CCOCC2)c1 ZINC000420960389 446930482 /nfs/dbraw/zinc/93/04/82/446930482.db2.gz GTXVYZAKYFQHPJ-ROUUACIJSA-N 2 0 347.503 1.406 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598675 446971316 /nfs/dbraw/zinc/97/13/16/446971316.db2.gz RAHKPROEQHIWNC-KWXDATOUSA-N 2 0 349.519 1.772 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442767206 446959143 /nfs/dbraw/zinc/95/91/43/446959143.db2.gz YCYRFHHKZVUIOH-IXDOHACOSA-N 2 0 330.476 1.393 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000371885227 446971899 /nfs/dbraw/zinc/97/18/99/446971899.db2.gz ATICNIUNANCJTK-MISMHTLLSA-N 2 0 332.492 1.737 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000419162049 446978776 /nfs/dbraw/zinc/97/87/76/446978776.db2.gz SXKSCJCHXJMFPZ-HZPDHXFCSA-N 2 0 340.512 1.055 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443059078 447001889 /nfs/dbraw/zinc/00/18/89/447001889.db2.gz LXVNYGDMADEDRX-SJORKVTESA-N 2 0 333.476 1.939 20 0 EDADRP O=C1C[C@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C(=O)N1C1CC1 ZINC000443412786 447049992 /nfs/dbraw/zinc/04/99/92/447049992.db2.gz XJMMMIZYHSDJSN-KRWDZBQOSA-N 2 0 333.476 1.864 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000425218594 447069076 /nfs/dbraw/zinc/06/90/76/447069076.db2.gz YOXBNNWERSTKOG-DOTOQJQBSA-N 2 0 337.489 1.463 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375860976 447105392 /nfs/dbraw/zinc/10/53/92/447105392.db2.gz KYERSNPAHAWKOQ-KZNAEPCWSA-N 2 0 336.524 1.439 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)ccc1C[NH+](C)C ZINC000421298019 447110775 /nfs/dbraw/zinc/11/07/75/447110775.db2.gz FPWOHNFLUJIBHD-KRWDZBQOSA-N 2 0 346.475 1.548 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000368738659 447076719 /nfs/dbraw/zinc/07/67/19/447076719.db2.gz BADURAAPOIYCLC-KURKYZTESA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000368738658 447076999 /nfs/dbraw/zinc/07/69/99/447076999.db2.gz BADURAAPOIYCLC-KSZLIROESA-N 2 0 336.524 1.536 20 0 EDADRP CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000421387685 447147278 /nfs/dbraw/zinc/14/72/78/447147278.db2.gz PGGDIXRSZNBFLO-KRWDZBQOSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000455422486 447126570 /nfs/dbraw/zinc/12/65/70/447126570.db2.gz ADKSGEWDPNBYQU-IMJJTQAJSA-N 2 0 326.485 1.004 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000375977116 447187089 /nfs/dbraw/zinc/18/70/89/447187089.db2.gz RIMCKEZAFPOZAE-UYAOXDASSA-N 2 0 343.471 1.259 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377559610 447205475 /nfs/dbraw/zinc/20/54/75/447205475.db2.gz CAWXTDCWTWOHIO-KBAYOESNSA-N 2 0 330.476 1.798 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000377575663 447215902 /nfs/dbraw/zinc/21/59/02/447215902.db2.gz RHRNDLWYZPGCDQ-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP Cc1nc2ccccc2n1CC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368953046 447220137 /nfs/dbraw/zinc/22/01/37/447220137.db2.gz ZNWPJUYKQFYLNN-CQSZACIVSA-N 2 0 330.432 1.260 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000419544430 447255346 /nfs/dbraw/zinc/25/53/46/447255346.db2.gz HRIBTCTXVCACIF-ZBFHGGJFSA-N 2 0 338.496 1.014 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCCCC(=O)N1 ZINC000369048184 447286113 /nfs/dbraw/zinc/28/61/13/447286113.db2.gz NLDQEKKADSXFBZ-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP COC1([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)CCCCC1 ZINC000421838081 447262319 /nfs/dbraw/zinc/26/23/19/447262319.db2.gz UTCZVVVZZBRGPJ-SFHVURJKSA-N 2 0 341.540 1.704 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000376098623 447268918 /nfs/dbraw/zinc/26/89/18/447268918.db2.gz QKSSRWUUPPWPAZ-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458703622 447456872 /nfs/dbraw/zinc/45/68/72/447456872.db2.gz IDQGEKOAQBKXFC-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP CN(C(=O)COC1(C)C[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388586519 447480091 /nfs/dbraw/zinc/48/00/91/447480091.db2.gz HAWLMZQZZJWPLK-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458820134 447482812 /nfs/dbraw/zinc/48/28/12/447482812.db2.gz WNLKDKIDWHXXDV-CVEARBPZSA-N 2 0 328.501 1.253 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904126 447488697 /nfs/dbraw/zinc/48/86/97/447488697.db2.gz FYRJPYIIOPAUMX-ZFWWWQNUSA-N 2 0 344.484 1.895 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000389931447 447489112 /nfs/dbraw/zinc/48/91/12/447489112.db2.gz LFBIIYRXYVYUBU-WBVHZDCISA-N 2 0 331.460 1.379 20 0 EDADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000495381613 447498785 /nfs/dbraw/zinc/49/87/85/447498785.db2.gz BNKIXEGKISYXRV-VKJFTORMSA-N 2 0 341.496 1.821 20 0 EDADRP C[N@H+](C[C@H](O)CNC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867196 447504742 /nfs/dbraw/zinc/50/47/42/447504742.db2.gz OMZFEGZGZINTKN-WOJBJXKFSA-N 2 0 347.503 1.322 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985248 447508410 /nfs/dbraw/zinc/50/84/10/447508410.db2.gz XNUMFTPEJIZBKF-CRAIPNDOSA-N 2 0 331.460 1.249 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000392329750 447522683 /nfs/dbraw/zinc/52/26/83/447522683.db2.gz AJMRFBSEEFLVPY-GOEBONIOSA-N 2 0 332.448 1.170 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000415486199 447474253 /nfs/dbraw/zinc/47/42/53/447474253.db2.gz RGHUMUHHBWYMRN-UHFFFAOYSA-N 2 0 334.464 1.438 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCCC1 ZINC000427051480 447535649 /nfs/dbraw/zinc/53/56/49/447535649.db2.gz BVEDBWNQBLARIU-INIZCTEOSA-N 2 0 325.497 1.462 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495679574 447552741 /nfs/dbraw/zinc/55/27/41/447552741.db2.gz LKUKVSPANVFEHW-SZVBFZGTSA-N 2 0 348.491 1.419 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H](C)CO)CC1 ZINC000450733784 447560275 /nfs/dbraw/zinc/56/02/75/447560275.db2.gz SCPCUTHOMHDUMH-IRXDYDNUSA-N 2 0 347.503 1.682 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457538399 447591187 /nfs/dbraw/zinc/59/11/87/447591187.db2.gz ZFQGMSUJAIHXAL-INIZCTEOSA-N 2 0 326.485 1.008 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000427607755 447621034 /nfs/dbraw/zinc/62/10/34/447621034.db2.gz VADBXACRESCXEN-UHFFFAOYSA-N 2 0 331.485 1.885 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457755118 447625617 /nfs/dbraw/zinc/62/56/17/447625617.db2.gz XJELSZQQQNBPOO-INIZCTEOSA-N 2 0 326.485 1.130 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccn(C)n1 ZINC000459284346 447629328 /nfs/dbraw/zinc/62/93/28/447629328.db2.gz JGDAGEDBMORXLN-OAHLLOKOSA-N 2 0 338.500 1.396 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000416838992 447694859 /nfs/dbraw/zinc/69/48/59/447694859.db2.gz JRISERLKFPXCBZ-RCCFBDPRSA-N 2 0 328.460 1.654 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416852781 447696748 /nfs/dbraw/zinc/69/67/48/447696748.db2.gz NAJOLCIICVKJND-RDJZCZTQSA-N 2 0 334.464 1.869 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC(C)(C)[NH+]1CCCCC1 ZINC000496062390 447700349 /nfs/dbraw/zinc/70/03/49/447700349.db2.gz DYVOMLCIZKMWFW-UHFFFAOYSA-N 2 0 341.500 1.890 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422594923 447662546 /nfs/dbraw/zinc/66/25/46/447662546.db2.gz SXPQFEBOAAMJQA-KRWDZBQOSA-N 2 0 328.460 1.798 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)Cc2ccccc2)CC[NH2+]CC1 ZINC000422747462 447737573 /nfs/dbraw/zinc/73/75/73/447737573.db2.gz YTFIRLSKDHZPKW-RDJZCZTQSA-N 2 0 334.460 1.501 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422754136 447739539 /nfs/dbraw/zinc/73/95/39/447739539.db2.gz ACHJRJIOLSPPIZ-DFQSSKMNSA-N 3 0 346.519 1.146 20 0 EDADRP COc1ccc([C@H](C[NH2+]C2CCC([NH3+])CC2)N2CCOCC2)cc1 ZINC000422766922 447744402 /nfs/dbraw/zinc/74/44/02/447744402.db2.gz RMYUIANIRWXXAD-TVPLGVNVSA-N 2 0 333.476 1.928 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422803011 447754447 /nfs/dbraw/zinc/75/44/47/447754447.db2.gz CGBRVQLLDNBPIG-QFBILLFUSA-N 2 0 334.483 1.925 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845117 447767748 /nfs/dbraw/zinc/76/77/48/447767748.db2.gz NLJVAUUNVQPXIU-IEBWSBKVSA-N 2 0 344.503 1.703 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422925192 447773152 /nfs/dbraw/zinc/77/31/52/447773152.db2.gz AQBKGXQVGVDEPI-DOTOQJQBSA-N 2 0 337.489 1.688 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422945843 447777692 /nfs/dbraw/zinc/77/76/92/447777692.db2.gz VLBLDFHBLZHCGG-CQSZACIVSA-N 2 0 325.478 1.688 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1)c1ccccc1 ZINC000451908024 447780095 /nfs/dbraw/zinc/78/00/95/447780095.db2.gz ISXVZIBSYQEJDK-AZUAARDMSA-N 2 0 345.487 1.908 20 0 EDADRP CCNC(=O)C1(C[NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CCC1 ZINC000423077687 447800133 /nfs/dbraw/zinc/80/01/33/447800133.db2.gz MQKPEYZPPKQFNJ-AWEZNQCLSA-N 2 0 339.480 1.204 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH+](C(C)(C)C)C[C@H]2C(F)(F)F)C1 ZINC000431392237 447801210 /nfs/dbraw/zinc/80/12/10/447801210.db2.gz YOJJTYVVXCMOLK-JHJVBQTASA-N 2 0 335.414 1.963 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)CC[NH2+]CC1 ZINC000423090951 447803482 /nfs/dbraw/zinc/80/34/82/447803482.db2.gz WJPVMCPGNIJTTQ-OAHLLOKOSA-N 3 0 337.508 1.772 20 0 EDADRP COC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452039849 447807832 /nfs/dbraw/zinc/80/78/32/447807832.db2.gz PJEDUJGQRDEIPN-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487674880 447835931 /nfs/dbraw/zinc/83/59/31/447835931.db2.gz KWXURIJPRHSSIT-BHYGNILZSA-N 2 0 340.512 1.394 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522999119 447867792 /nfs/dbraw/zinc/86/77/92/447867792.db2.gz VJMFBOZZQORLQQ-ZBFHGGJFSA-N 2 0 336.480 1.023 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000575779116 447897652 /nfs/dbraw/zinc/89/76/52/447897652.db2.gz KMAGJZICQFHKAV-IAGOWNOFSA-N 2 0 346.475 1.378 20 0 EDADRP Cc1cccc2c1OCC[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530492060 447898740 /nfs/dbraw/zinc/89/87/40/447898740.db2.gz FJHRLEZLJIBVOC-QGZVFWFLSA-N 2 0 348.491 1.953 20 0 EDADRP Cc1[nH]nc2ncc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)cc12 ZINC000570144016 447951115 /nfs/dbraw/zinc/95/11/15/447951115.db2.gz ZGMDMWRCSIGDBO-ZDUSSCGKSA-N 2 0 342.369 1.192 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524903165 447959656 /nfs/dbraw/zinc/95/96/56/447959656.db2.gz CMXDFKAIXSRRNJ-IAGOWNOFSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+]1CC(C)C1 ZINC000553222791 447978531 /nfs/dbraw/zinc/97/85/31/447978531.db2.gz IYRGFRURKAAXBE-YJBOKZPZSA-N 2 0 331.460 1.210 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000570312189 447984479 /nfs/dbraw/zinc/98/44/79/447984479.db2.gz ZFCRMGQVMCAICC-IBGZPJMESA-N 2 0 334.508 1.992 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000525273948 447987088 /nfs/dbraw/zinc/98/70/88/447987088.db2.gz PDWXMNXTECOPMF-KRWDZBQOSA-N 2 0 347.507 1.968 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(F)cc1F ZINC000525445936 448000190 /nfs/dbraw/zinc/00/01/90/448000190.db2.gz PXNQVRGCULQFLW-UHFFFAOYSA-N 2 0 328.407 1.600 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000496889795 448006333 /nfs/dbraw/zinc/00/63/33/448006333.db2.gz KBCPEYBFOLYQRK-GUYCJALGSA-N 2 0 327.469 1.336 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000570408487 448006946 /nfs/dbraw/zinc/00/69/46/448006946.db2.gz RJAQSHHADUWQGM-HNNXBMFYSA-N 2 0 348.495 2.098 20 0 EDADRP CN(C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000525692910 448012265 /nfs/dbraw/zinc/01/22/65/448012265.db2.gz KUJAUBRBBAOPIS-LJQANCHMSA-N 2 0 331.460 1.176 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)c1 ZINC000576330204 448028436 /nfs/dbraw/zinc/02/84/36/448028436.db2.gz ANXMHXAGJUMFPF-MRXNPFEDSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnn(C)c1 ZINC000531168876 448031816 /nfs/dbraw/zinc/03/18/16/448031816.db2.gz MCPCYMFEDQRLIO-MRXNPFEDSA-N 2 0 347.507 1.590 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000576403733 448045911 /nfs/dbraw/zinc/04/59/11/448045911.db2.gz XUSHWEHAZDRYSU-DLBZAZTESA-N 3 0 336.524 1.297 20 0 EDADRP CC[NH+](CC)CCCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531285058 448052536 /nfs/dbraw/zinc/05/25/36/448052536.db2.gz LHNYPOFQNBSUEA-IBGZPJMESA-N 2 0 333.476 1.472 20 0 EDADRP C[C@@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000570823933 448070580 /nfs/dbraw/zinc/07/05/80/448070580.db2.gz NZAMKSPOWHTWDG-QAPCUYQASA-N 2 0 343.475 1.866 20 0 EDADRP CC[C@@H](C)n1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000526169832 448109681 /nfs/dbraw/zinc/10/96/81/448109681.db2.gz GSUHJNWXGYNBBU-CQSZACIVSA-N 2 0 338.500 2.120 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482131 448091278 /nfs/dbraw/zinc/09/12/78/448091278.db2.gz LBAOEBVAIJAKTQ-BBWFWOEESA-N 2 0 340.512 1.515 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccn1 ZINC000571657699 448188217 /nfs/dbraw/zinc/18/82/17/448188217.db2.gz KEAVITDFQRYOSP-IYBDPMFKSA-N 2 0 347.463 1.058 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)cc1F ZINC000571759988 448201290 /nfs/dbraw/zinc/20/12/90/448201290.db2.gz GHMVYVKFYQQPGI-UHFFFAOYSA-N 2 0 336.455 1.187 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(F)cc2Cl)C1 ZINC000576887131 448164587 /nfs/dbraw/zinc/16/45/87/448164587.db2.gz DLYLLNXMIOJSKU-RYUDHWBXSA-N 2 0 349.859 1.617 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[NH2+][C@@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000572037675 448269621 /nfs/dbraw/zinc/26/96/21/448269621.db2.gz AUUJSVQWRACXTN-OAGGEKHMSA-N 2 0 345.491 1.372 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000591130253 448269829 /nfs/dbraw/zinc/26/98/29/448269829.db2.gz XUINYEMDOLBHHS-QGZVFWFLSA-N 2 0 346.475 1.791 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC000591095046 448258936 /nfs/dbraw/zinc/25/89/36/448258936.db2.gz ULLKMCOTDFCZLI-WBVHZDCISA-N 2 0 331.460 1.900 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000577306263 448263039 /nfs/dbraw/zinc/26/30/39/448263039.db2.gz WCOYKUPPOSKANR-GOSISDBHSA-N 2 0 338.540 1.103 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000515485789 448320089 /nfs/dbraw/zinc/32/00/89/448320089.db2.gz ADTYVIGOCXMOLY-CRAIPNDOSA-N 2 0 330.476 1.761 20 0 EDADRP CCC1(CC)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1OC ZINC000532594748 448278742 /nfs/dbraw/zinc/27/87/42/448278742.db2.gz WKTCRVLGNWRDKF-CVEARBPZSA-N 2 0 342.528 1.715 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cn1 ZINC000582596975 448284853 /nfs/dbraw/zinc/28/48/53/448284853.db2.gz ONSNGFKFRNDSLK-OAHLLOKOSA-N 2 0 333.480 1.252 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)C2=O)cn1 ZINC000515654895 448339101 /nfs/dbraw/zinc/33/91/01/448339101.db2.gz BVRFBCODZQRVOV-VYDXJSESSA-N 2 0 331.464 1.237 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000582797590 448344310 /nfs/dbraw/zinc/34/43/10/448344310.db2.gz VHRKXHBNQPMRNQ-MSOLQXFVSA-N 2 0 330.476 1.682 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC(F)(F)CN)C1 ZINC000515870038 448361477 /nfs/dbraw/zinc/36/14/77/448361477.db2.gz JSGGKSJRNKKWQB-HNNXBMFYSA-N 2 0 340.418 1.539 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCOC[C@@H]1C ZINC000591574032 448393409 /nfs/dbraw/zinc/39/34/09/448393409.db2.gz UWRZDWHFYOCVBS-YVSFHVDLSA-N 2 0 340.512 1.373 20 0 EDADRP CN1CC[NH+](C[C@@H](O)CNc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC1 ZINC000582901200 448373571 /nfs/dbraw/zinc/37/35/71/448373571.db2.gz QGEBCNFRTFMUCK-PKOBYXMFSA-N 2 0 332.492 1.256 20 0 EDADRP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000516762828 448469990 /nfs/dbraw/zinc/46/99/90/448469990.db2.gz QVXUVDUBJXUDAT-WMLDXEAASA-N 2 0 337.439 1.020 20 0 EDADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000566246385 448429281 /nfs/dbraw/zinc/42/92/81/448429281.db2.gz MWQRUVCRXCCYGI-KRWDZBQOSA-N 2 0 331.460 1.524 20 0 EDADRP c1ccc(C[NH+]2CCN(CCC[NH2+]Cc3cnccn3)CC2)cc1 ZINC000516733944 448466265 /nfs/dbraw/zinc/46/62/65/448466265.db2.gz KBGRALGRIHHIOB-UHFFFAOYSA-N 2 0 325.460 1.774 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)CC[NH2+]C2CC2)C1 ZINC000566470739 448485339 /nfs/dbraw/zinc/48/53/39/448485339.db2.gz PJIUISMRXOQGKO-OAHLLOKOSA-N 2 0 344.459 1.465 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)nc1 ZINC000572952663 448504194 /nfs/dbraw/zinc/50/41/94/448504194.db2.gz CHNXRYOAJBSALN-UHFFFAOYSA-N 2 0 346.475 1.953 20 0 EDADRP C[C@H](OC[C@H](O)C[NH2+]C[C@H](O)CN(C)C)c1ccc(Cl)cc1 ZINC000578358654 448527943 /nfs/dbraw/zinc/52/79/43/448527943.db2.gz HAZVWHNZBCHWGE-VBNZEHGJSA-N 2 0 330.856 1.291 20 0 EDADRP C[C@@H]1CN(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000578490077 448558400 /nfs/dbraw/zinc/55/84/00/448558400.db2.gz HDACOYXGOLOUCM-GFOCRRMGSA-N 2 0 338.496 1.241 20 0 EDADRP Cc1cc(NC(=O)NC[C@]2(C)CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000578500894 448561558 /nfs/dbraw/zinc/56/15/58/448561558.db2.gz JKZIPLPPRBQRDT-GOSISDBHSA-N 2 0 348.495 1.969 20 0 EDADRP CSC1(CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[NH+](C)CC1 ZINC000566845673 448567784 /nfs/dbraw/zinc/56/77/84/448567784.db2.gz HGSCWLCOMHTUHT-ZIAGYGMSSA-N 2 0 328.526 1.501 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573428488 448622680 /nfs/dbraw/zinc/62/26/80/448622680.db2.gz MWKUYCJMWVYCDE-CGTJXYLNSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H](C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000578585308 448582845 /nfs/dbraw/zinc/58/28/45/448582845.db2.gz NVRIDRKLFAOMJU-ZNMIVQPWSA-N 2 0 333.480 2.350 20 0 EDADRP c1ncn(-c2ccc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cc2)n1 ZINC000578605807 448588361 /nfs/dbraw/zinc/58/83/61/448588361.db2.gz GANFVQMGDRYKCP-UHFFFAOYSA-N 2 0 340.475 1.573 20 0 EDADRP CN(Cc1ccccc1)[C@H](C[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000573318197 448595236 /nfs/dbraw/zinc/59/52/36/448595236.db2.gz LDVHBJPBTBSGPJ-WOJBJXKFSA-N 2 0 347.503 1.180 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000528711682 448640524 /nfs/dbraw/zinc/64/05/24/448640524.db2.gz FCJPKOHAUQOFRW-INIZCTEOSA-N 2 0 328.416 1.647 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000567187804 448633958 /nfs/dbraw/zinc/63/39/58/448633958.db2.gz RODKGOQGRCESLR-GOSISDBHSA-N 2 0 344.503 1.262 20 0 EDADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000518514783 448687508 /nfs/dbraw/zinc/68/75/08/448687508.db2.gz VIKQLTZHTXEUOL-BBWFWOEESA-N 2 0 337.489 1.475 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cscn1 ZINC000578984587 448684620 /nfs/dbraw/zinc/68/46/20/448684620.db2.gz KUMTZZRNMPXZQT-ZDUSSCGKSA-N 2 0 346.522 1.180 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000567787544 448761764 /nfs/dbraw/zinc/76/17/64/448761764.db2.gz PRMAKXXLZZTKSS-RVKKMQEKSA-N 2 0 331.460 1.489 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296970 448811782 /nfs/dbraw/zinc/81/17/82/448811782.db2.gz HAXVPCYKEASXFU-DOTOQJQBSA-N 2 0 346.475 1.629 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@H]3CC[NH2+]C34CCC4)CC2)CC1 ZINC000529301651 448812693 /nfs/dbraw/zinc/81/26/93/448812693.db2.gz UULWWCVKOCNUCE-KRWDZBQOSA-N 2 0 349.523 1.129 20 0 EDADRP C[C@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000574195369 448814165 /nfs/dbraw/zinc/81/41/65/448814165.db2.gz UZJXUWCBJBWPRX-ZJPYXAASSA-N 2 0 327.513 1.311 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000545300790 448786846 /nfs/dbraw/zinc/78/68/46/448786846.db2.gz ZUUDRQJSMXNUIG-HUUCEWRRSA-N 2 0 329.444 1.993 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)CC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000519597037 448794813 /nfs/dbraw/zinc/79/48/13/448794813.db2.gz KUSNFMMYDJPNEK-IEBWSBKVSA-N 2 0 344.503 1.481 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000579580901 448825107 /nfs/dbraw/zinc/82/51/07/448825107.db2.gz ZVLSASLEXKTJDG-NUJGCVRESA-N 2 0 331.460 1.644 20 0 EDADRP C[C@H](c1ccc(NC[C@@H](O)C[N@H+](C)C2CC2)cc1)N1CCOCC1 ZINC000579702641 448856606 /nfs/dbraw/zinc/85/66/06/448856606.db2.gz ZYNMUFHXLATOFM-DNVCBOLYSA-N 2 0 333.476 1.947 20 0 EDADRP CC[C@H]1C[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489685 448860862 /nfs/dbraw/zinc/86/08/62/448860862.db2.gz ZQNDKOKUDFLDTE-HOTGVXAUSA-N 2 0 332.448 1.462 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568738778 448912481 /nfs/dbraw/zinc/91/24/81/448912481.db2.gz TUBZFEVRTBEANP-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000579830233 448889642 /nfs/dbraw/zinc/88/96/42/448889642.db2.gz RNOIQIPDYHFFCT-XYPHTWIQSA-N 2 0 332.448 1.230 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)C[NH2+]CCO4)c21 ZINC000592552684 448895445 /nfs/dbraw/zinc/89/54/45/448895445.db2.gz NRQYICBYWGSSGW-LBPRGKRZSA-N 2 0 341.415 1.454 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000588935399 448951445 /nfs/dbraw/zinc/95/14/45/448951445.db2.gz KCPNOXUWDPIYRN-OAHLLOKOSA-N 2 0 336.480 1.487 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000589144045 448977193 /nfs/dbraw/zinc/97/71/93/448977193.db2.gz AGMKHGDMUPYMAX-RTBURBONSA-N 2 0 342.487 1.990 20 0 EDADRP CC(C)(C)[C@H](CO)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000520957150 448941030 /nfs/dbraw/zinc/94/10/30/448941030.db2.gz WBUOSBIZUBYIIY-SFHVURJKSA-N 2 0 347.503 1.895 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569337552 449006142 /nfs/dbraw/zinc/00/61/42/449006142.db2.gz GOMUVAVGGXPUBT-BZUAXINKSA-N 2 0 327.517 1.170 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574999816 449010788 /nfs/dbraw/zinc/01/07/88/449010788.db2.gz NLUWSHZRKDQPSJ-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP COc1cccc2c1CC[C@@H]2[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000582175531 449029305 /nfs/dbraw/zinc/02/93/05/449029305.db2.gz CLRRQXQDDOHRQT-QKLQHJQFSA-N 2 0 343.471 1.919 20 0 EDADRP CCc1nc(C)c([C@H](C)N(C)C[C@@H](O)C[N@H+](C)CCOC)s1 ZINC000575076004 449030621 /nfs/dbraw/zinc/03/06/21/449030621.db2.gz VYUIUSLWYINXOS-KBPBESRZSA-N 2 0 329.510 1.946 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592954793 449074969 /nfs/dbraw/zinc/07/49/69/449074969.db2.gz DGHVAEATOGRWRW-GJZGRUSLSA-N 2 0 333.480 1.714 20 0 EDADRP C[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000592956113 449076778 /nfs/dbraw/zinc/07/67/78/449076778.db2.gz DJQVHFYMTRYPPT-RBSFLKMASA-N 2 0 333.480 1.712 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000575353551 449083652 /nfs/dbraw/zinc/08/36/52/449083652.db2.gz DKKWJCFIHJBJSC-OAHLLOKOSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530215813 449084984 /nfs/dbraw/zinc/08/49/84/449084984.db2.gz JHALMLAKOKSAFG-CJNGLKHVSA-N 2 0 327.428 1.935 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc12 ZINC000530248378 449093307 /nfs/dbraw/zinc/09/33/07/449093307.db2.gz KJWPUIDUDVFDBQ-QGZVFWFLSA-N 2 0 343.475 1.867 20 0 EDADRP COC(=O)[C@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000575410313 449095136 /nfs/dbraw/zinc/09/51/36/449095136.db2.gz PJYZLDXESMABLP-RHSMWYFYSA-N 2 0 340.489 1.734 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)[C@@H](C)C1 ZINC000604418174 449228012 /nfs/dbraw/zinc/22/80/12/449228012.db2.gz KAJHNMCLRBIBRK-ULQDDVLXSA-N 2 0 335.496 1.651 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900980 449241798 /nfs/dbraw/zinc/24/17/98/449241798.db2.gz QXFDNSHLZUFJDJ-GDBMZVCRSA-N 2 0 338.496 1.568 20 0 EDADRP CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427045 449382417 /nfs/dbraw/zinc/38/24/17/449382417.db2.gz NZNZNOPNIHIEGR-CVEARBPZSA-N 2 0 338.496 1.048 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112602 449463778 /nfs/dbraw/zinc/46/37/78/449463778.db2.gz COEWENSICNWBID-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cccc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000602255402 449468936 /nfs/dbraw/zinc/46/89/36/449468936.db2.gz CDFSMNBPLMENMX-UHFFFAOYSA-N 2 0 327.494 1.250 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000607037952 449564288 /nfs/dbraw/zinc/56/42/88/449564288.db2.gz YOBMINCUBJFJSQ-UHFFFAOYSA-N 2 0 333.480 1.247 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000602533531 449656346 /nfs/dbraw/zinc/65/63/46/449656346.db2.gz VFMRPIHUONWABS-HNNXBMFYSA-N 2 0 344.459 1.355 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCc2cn3c(n2)CCCC3)C1 ZINC000601254225 449777290 /nfs/dbraw/zinc/77/72/90/449777290.db2.gz MFBHIXCOIKOIQM-HNNXBMFYSA-N 2 0 333.480 1.934 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000601267254 449786570 /nfs/dbraw/zinc/78/65/70/449786570.db2.gz IYXPQOIZSIYYPK-KLHKWILBSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601323150 449831829 /nfs/dbraw/zinc/83/18/29/449831829.db2.gz SVZOMFIQKCINIP-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000595007308 449839453 /nfs/dbraw/zinc/83/94/53/449839453.db2.gz MJBCNSOZSQAVEU-OAHLLOKOSA-N 2 0 327.513 1.970 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000599307844 449880420 /nfs/dbraw/zinc/88/04/20/449880420.db2.gz FAMLUPOGNSLDGW-IBGZPJMESA-N 2 0 344.503 1.799 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000608712224 449918279 /nfs/dbraw/zinc/91/82/79/449918279.db2.gz PARPSHHYEVTGGU-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[NH+](CC)CC ZINC000616782578 450483535 /nfs/dbraw/zinc/48/35/35/450483535.db2.gz KYZZSDLIBVHJMU-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000616783554 450483899 /nfs/dbraw/zinc/48/38/99/450483899.db2.gz DEKJEZUWPCLMGN-QKPAOTATSA-N 2 0 340.512 1.210 20 0 EDADRP Cc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)ncc1Br ZINC000623343319 450501339 /nfs/dbraw/zinc/50/13/39/450501339.db2.gz MDEKXKDZVFFDNA-UHFFFAOYSA-N 2 0 341.297 1.880 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)S3)CC1 ZINC000625773863 450502563 /nfs/dbraw/zinc/50/25/63/450502563.db2.gz NSEKFBCVVSZQOC-CVEARBPZSA-N 2 0 325.522 1.945 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC000620971387 450567528 /nfs/dbraw/zinc/56/75/28/450567528.db2.gz HYJRDNVHNWEGNS-ZWKOTPCHSA-N 2 0 337.508 1.963 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633057561 450651584 /nfs/dbraw/zinc/65/15/84/450651584.db2.gz KXTXUUJLAAEPRY-UHFFFAOYSA-N 2 0 347.463 1.632 20 0 EDADRP Nc1nc(N2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000624041916 450681878 /nfs/dbraw/zinc/68/18/78/450681878.db2.gz MOODHGHFHZHOBB-CABCVRRESA-N 2 0 339.447 1.188 20 0 EDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1cccc(N2CCCS2(=O)=O)c1 ZINC000629542264 450728563 /nfs/dbraw/zinc/72/85/63/450728563.db2.gz XJRIUCCSZQTWGB-AWEZNQCLSA-N 2 0 341.477 1.243 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000631678772 450709913 /nfs/dbraw/zinc/70/99/13/450709913.db2.gz QICKAZGJAXCHGA-UHFFFAOYSA-N 2 0 339.505 1.654 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000624115391 450711164 /nfs/dbraw/zinc/71/11/64/450711164.db2.gz UTKYORNPTUVPAI-QGZVFWFLSA-N 2 0 338.496 1.415 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119637 450715554 /nfs/dbraw/zinc/71/55/54/450715554.db2.gz GORUWCUIMPRDDP-CABCVRRESA-N 2 0 339.505 1.977 20 0 EDADRP C[NH2+]CCOCC[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000629530011 450725600 /nfs/dbraw/zinc/72/56/00/450725600.db2.gz STIOBCPVKBEMTF-DLBZAZTESA-N 2 0 341.883 1.537 20 0 EDADRP O[C@H](CNCc1ccc(C[NH+]2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000629562366 450737838 /nfs/dbraw/zinc/73/78/38/450737838.db2.gz BQQRGAQXRYPOLQ-HXUWFJFHSA-N 2 0 347.503 1.190 20 0 EDADRP CC(C)(CNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCCCC1 ZINC000631730580 450739580 /nfs/dbraw/zinc/73/95/80/450739580.db2.gz YHNAYJJJUWQKSN-UHFFFAOYSA-N 2 0 331.526 1.656 20 0 EDADRP COc1ccc(Cl)cc1NC(=O)CC[N@H+](C)CCOCC[NH3+] ZINC000629578407 450746076 /nfs/dbraw/zinc/74/60/76/450746076.db2.gz CDLMOKSTNSJBIU-UHFFFAOYSA-N 2 0 329.828 1.584 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621652722 450816421 /nfs/dbraw/zinc/81/64/21/450816421.db2.gz DGTRGDLRKOZONY-ROUUACIJSA-N 2 0 336.524 1.395 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1c1nc(N)[nH+]c(N)n1 ZINC000624347645 450802811 /nfs/dbraw/zinc/80/28/11/450802811.db2.gz VRODPZWESHFRKF-YNEHKIRRSA-N 2 0 327.436 1.184 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21)c1ccccc1 ZINC000631890171 450850962 /nfs/dbraw/zinc/85/09/62/450850962.db2.gz NBSUPOZRKWJUEA-CEXWTWQISA-N 2 0 344.503 1.479 20 0 EDADRP C[C@H]1CC2(CN1S(=O)(=O)CCC[NH+]1CCCC1)CC[NH2+]CC2 ZINC000631946649 450904838 /nfs/dbraw/zinc/90/48/38/450904838.db2.gz GNKGYYMFQYFHRO-HNNXBMFYSA-N 2 0 329.510 1.266 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000631949716 450908412 /nfs/dbraw/zinc/90/84/12/450908412.db2.gz NEGYTGRWUCQJFT-KRWDZBQOSA-N 2 0 343.537 1.514 20 0 EDADRP C[N@H+](CC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCC1 ZINC000629949247 450910697 /nfs/dbraw/zinc/91/06/97/450910697.db2.gz YZPOCWLJEXMTLV-UHFFFAOYSA-N 2 0 325.522 1.949 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000631954268 450913116 /nfs/dbraw/zinc/91/31/16/450913116.db2.gz GNOBRJDMOFEOTB-DLBZAZTESA-N 2 0 337.489 1.147 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000631976712 450935158 /nfs/dbraw/zinc/93/51/58/450935158.db2.gz DWPAFDAAPHOVNW-HNNXBMFYSA-N 2 0 339.505 1.805 20 0 EDADRP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044644 450979885 /nfs/dbraw/zinc/97/98/85/450979885.db2.gz YIOLIWLJTQIXDE-NJAFHUGGSA-N 2 0 338.492 1.228 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000626909110 450997968 /nfs/dbraw/zinc/99/79/68/450997968.db2.gz KBBFUFUVFJUZNA-WMLDXEAASA-N 2 0 344.459 1.478 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)c1 ZINC000635504651 450998662 /nfs/dbraw/zinc/99/86/62/450998662.db2.gz XPPBEAVOUFQHIA-KRWDZBQOSA-N 2 0 344.459 1.756 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626916612 451001833 /nfs/dbraw/zinc/00/18/33/451001833.db2.gz ARFOBNIYMMKJGU-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000626920331 451003961 /nfs/dbraw/zinc/00/39/61/451003961.db2.gz WSQGTGUJYFLKKZ-BMGDILEWSA-N 2 0 346.475 1.882 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000626924993 451008587 /nfs/dbraw/zinc/00/85/87/451008587.db2.gz FIDUGMUYDYWXRO-UHFFFAOYSA-N 2 0 348.491 1.836 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000626934507 451016633 /nfs/dbraw/zinc/01/66/33/451016633.db2.gz GXKRJDLVDWWCAH-HOTGVXAUSA-N 2 0 328.501 1.232 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000626939168 451019873 /nfs/dbraw/zinc/01/98/73/451019873.db2.gz UBYGVUQSDJWSJG-KRWDZBQOSA-N 2 0 346.475 1.111 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCCC2)cc1 ZINC000626957400 451034388 /nfs/dbraw/zinc/03/43/88/451034388.db2.gz QBIZRUXBEKDFKO-SFHVURJKSA-N 2 0 348.491 1.749 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC000635543004 451038525 /nfs/dbraw/zinc/03/85/25/451038525.db2.gz KDTYVVOTIQZECT-UHFFFAOYSA-N 2 0 338.540 1.450 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000626970170 451041268 /nfs/dbraw/zinc/04/12/68/451041268.db2.gz KGSRVONJEPESAW-MDZLAQPJSA-N 2 0 336.402 1.638 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC000632111706 451043456 /nfs/dbraw/zinc/04/34/56/451043456.db2.gz BCOROYCAIXHUAD-HOTGVXAUSA-N 2 0 329.510 1.218 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000622134186 451060279 /nfs/dbraw/zinc/06/02/79/451060279.db2.gz XZVLBKLRHURXBO-HZPDHXFCSA-N 2 0 325.497 1.769 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000635572559 451072385 /nfs/dbraw/zinc/07/23/85/451072385.db2.gz LTTDSPVBDCUDRQ-HZPDHXFCSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627013752 451078006 /nfs/dbraw/zinc/07/80/06/451078006.db2.gz RDHYPNJDENAGBX-FUHWJXTLSA-N 2 0 348.491 1.384 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627070693 451111859 /nfs/dbraw/zinc/11/18/59/451111859.db2.gz FJXOESQGNDLPCF-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627092617 451121362 /nfs/dbraw/zinc/12/13/62/451121362.db2.gz CNAXZAKXYNRNJH-HOCLYGCPSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000627099779 451122865 /nfs/dbraw/zinc/12/28/65/451122865.db2.gz XFORFFZSFYXFCH-OXXUSNJHSA-N 2 0 348.466 1.959 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000632262300 451152871 /nfs/dbraw/zinc/15/28/71/451152871.db2.gz PKXWZDCXWFGUAM-UHFFFAOYSA-N 2 0 327.494 1.162 20 0 EDADRP C[NH2+]CCOCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627174374 451165248 /nfs/dbraw/zinc/16/52/48/451165248.db2.gz IEHDLGZPCWHYPJ-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627189083 451175443 /nfs/dbraw/zinc/17/54/43/451175443.db2.gz LTHDFOCRZNYQDT-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000627212215 451190211 /nfs/dbraw/zinc/19/02/11/451190211.db2.gz VKXZYAGJIFVLSD-UHFFFAOYSA-N 2 0 340.512 1.649 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000638084898 451249320 /nfs/dbraw/zinc/24/93/20/451249320.db2.gz HHRCGNSDKRZVMQ-IEBWSBKVSA-N 2 0 337.508 1.712 20 0 EDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000638089010 451253022 /nfs/dbraw/zinc/25/30/22/451253022.db2.gz JXKJSYAQWAHQKN-CQSZACIVSA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638112119 451280022 /nfs/dbraw/zinc/28/00/22/451280022.db2.gz QMJVNBWRVDTSGJ-RVKKMQEKSA-N 2 0 325.497 1.770 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC(C)(C)N2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000630624769 451283964 /nfs/dbraw/zinc/28/39/64/451283964.db2.gz BZLFUVKTKWSFTD-YHUYYLMFSA-N 2 0 325.497 1.721 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638116012 451284770 /nfs/dbraw/zinc/28/47/70/451284770.db2.gz BZUIZGHBKKMVTL-LNLFQRSKSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)c3cnc(C[NH3+])nc3)cc21 ZINC000638120861 451290693 /nfs/dbraw/zinc/29/06/93/451290693.db2.gz GRCSZQBXTJFMCR-UHFFFAOYSA-N 2 0 338.415 1.704 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000638127915 451299163 /nfs/dbraw/zinc/29/91/63/451299163.db2.gz FZEIUDQVSAQZKX-NWGLXNPWSA-N 2 0 331.460 1.533 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000638129945 451300734 /nfs/dbraw/zinc/30/07/34/451300734.db2.gz GOZSVULDJIYXQE-MAUKXSAKSA-N 2 0 331.460 1.885 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCCC[NH2+]1 ZINC000638137465 451310395 /nfs/dbraw/zinc/31/03/95/451310395.db2.gz VPOAEAKUGIQQTC-LJQANCHMSA-N 2 0 346.475 1.321 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578170 451319614 /nfs/dbraw/zinc/31/96/14/451319614.db2.gz DQJJCSFZLNXHTB-WMLDXEAASA-N 2 0 346.479 1.898 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638165696 451331364 /nfs/dbraw/zinc/33/13/64/451331364.db2.gz RYELVGXLSQNTRR-PEJOBZMASA-N 2 0 331.460 1.505 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638242527 451376900 /nfs/dbraw/zinc/37/69/00/451376900.db2.gz OMLXCTRXDVWNEZ-ZDUSSCGKSA-N 2 0 347.463 1.551 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(C(F)(F)F)cc1 ZINC000638245677 451379451 /nfs/dbraw/zinc/37/94/51/451379451.db2.gz WWZYIDCJESIFTM-OLZOCXBDSA-N 2 0 327.350 1.964 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630747833 451381800 /nfs/dbraw/zinc/38/18/00/451381800.db2.gz WXPIMZMERXYRKM-MRXNPFEDSA-N 2 0 335.496 1.829 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636598742 451339431 /nfs/dbraw/zinc/33/94/31/451339431.db2.gz SGMSPZWVAUMNIN-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@]2(C)C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000638307805 451421223 /nfs/dbraw/zinc/42/12/23/451421223.db2.gz CTSMIEBGNPVUHR-KPFFTGBYSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306427 451421659 /nfs/dbraw/zinc/42/16/59/451421659.db2.gz CKZKQAGOVYBLOV-VDZJLULYSA-N 2 0 331.460 1.392 20 0 EDADRP O[C@@]1(CN2CC[NH+](CC3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634642533 451435486 /nfs/dbraw/zinc/43/54/86/451435486.db2.gz LPRLLOXXXIGZQQ-HXUWFJFHSA-N 2 0 329.488 1.651 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000638357639 451459087 /nfs/dbraw/zinc/45/90/87/451459087.db2.gz SULCODHIIWMNRR-MISMHTLLSA-N 2 0 333.476 1.751 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000638373048 451470468 /nfs/dbraw/zinc/47/04/68/451470468.db2.gz JVAALPLKTKVGGG-SFHVURJKSA-N 2 0 349.475 1.056 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)c1 ZINC000634700492 451473917 /nfs/dbraw/zinc/47/39/17/451473917.db2.gz ANNCOPOQEXZZDF-SFHVURJKSA-N 2 0 336.476 1.520 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC[N@@H+]1C ZINC000630930164 451489215 /nfs/dbraw/zinc/48/92/15/451489215.db2.gz DYGWLQIQXPJSBW-JKSUJKDBSA-N 2 0 332.448 1.469 20 0 EDADRP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000634711828 451490761 /nfs/dbraw/zinc/49/07/61/451490761.db2.gz VFGDCVBJLRWCCD-SFHVURJKSA-N 2 0 336.476 1.173 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000638403022 451491464 /nfs/dbraw/zinc/49/14/64/451491464.db2.gz QCZBGMGTHDJHNJ-WMZOPIPTSA-N 2 0 331.460 1.933 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000638424127 451506350 /nfs/dbraw/zinc/50/63/50/451506350.db2.gz IAMCFHXSISTDKP-SFHVURJKSA-N 2 0 343.471 1.244 20 0 EDADRP CC[C@](C)(C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)OC ZINC000638529607 451561089 /nfs/dbraw/zinc/56/10/89/451561089.db2.gz KTABTZLTBZEEJX-GOSISDBHSA-N 2 0 335.496 1.784 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000638555787 451574788 /nfs/dbraw/zinc/57/47/88/451574788.db2.gz IIRIJHRQGMIHEU-MCIONIFRSA-N 2 0 329.366 1.981 20 0 EDADRP [NH3+]Cc1cccc2c1N(C(=O)c1cn(C[C@H]3CCC[NH2+]3)nn1)CCC2 ZINC000638543249 451569629 /nfs/dbraw/zinc/56/96/29/451569629.db2.gz GWIUMORDPPGBSE-OAHLLOKOSA-N 2 0 340.431 1.082 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000638565235 451580124 /nfs/dbraw/zinc/58/01/24/451580124.db2.gz YOQVNGQVOWIVKD-YPMHNXCESA-N 2 0 347.385 1.044 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccccc1OCCCCO)N1CC[NH+](C)CC1 ZINC000638568507 451581001 /nfs/dbraw/zinc/58/10/01/451581001.db2.gz AQBDZQQUWNEZEN-KRWDZBQOSA-N 2 0 335.492 1.563 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C[NH2+]1 ZINC000638639792 451625545 /nfs/dbraw/zinc/62/55/45/451625545.db2.gz NLVXCQLADXWDPC-AEFFLSMTSA-N 2 0 344.503 1.627 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000638669932 451641876 /nfs/dbraw/zinc/64/18/76/451641876.db2.gz YDZZGHVYCDSHKE-MRXNPFEDSA-N 2 0 339.524 1.312 20 0 EDADRP C[C@@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000635007929 451648198 /nfs/dbraw/zinc/64/81/98/451648198.db2.gz QJKKTHHKCCARTA-PBHICJAKSA-N 2 0 347.484 1.945 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N1CCOCC1 ZINC000638751450 451677536 /nfs/dbraw/zinc/67/75/36/451677536.db2.gz RHQSTXLWNCQPOO-MSOLQXFVSA-N 2 0 339.524 1.455 20 0 EDADRP O=C(N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638787115 451692422 /nfs/dbraw/zinc/69/24/22/451692422.db2.gz UBTHHDFASVUTQG-ZFWWWQNUSA-N 2 0 349.397 1.146 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000638799809 451695078 /nfs/dbraw/zinc/69/50/78/451695078.db2.gz QNVZGGFPWFAYFU-OIISXLGYSA-N 2 0 335.517 1.759 20 0 EDADRP COCC1(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC1 ZINC000638873903 451715650 /nfs/dbraw/zinc/71/56/50/451715650.db2.gz VIAARKKRPQAXFC-UHFFFAOYSA-N 2 0 333.476 1.884 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000638725504 451666459 /nfs/dbraw/zinc/66/64/59/451666459.db2.gz BAFNVTLAJAUWKE-AEFFLSMTSA-N 2 0 335.492 1.480 20 0 EDADRP O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917468 451735035 /nfs/dbraw/zinc/73/50/35/451735035.db2.gz FMEMDVMSEZICAK-JPLJXNOCSA-N 2 0 341.455 1.098 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000638925668 451737441 /nfs/dbraw/zinc/73/74/41/451737441.db2.gz RVNFNOJKOVCDGF-CALCHBBNSA-N 2 0 331.460 1.984 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000641041355 451739634 /nfs/dbraw/zinc/73/96/34/451739634.db2.gz BBVFRCRDKJEGRJ-CQSZACIVSA-N 2 0 333.436 1.064 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)c3csc(CC[NH3+])n3)cn2)CC1 ZINC000638977306 451744406 /nfs/dbraw/zinc/74/44/06/451744406.db2.gz KAGHPOPWMQTRJV-UHFFFAOYSA-N 2 0 334.449 1.360 20 0 EDADRP COCC1(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[NH2+]CC1 ZINC000638978097 451744557 /nfs/dbraw/zinc/74/45/57/451744557.db2.gz UQNIMPPPCSMHHQ-UHFFFAOYSA-N 2 0 335.452 1.105 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637207474 451756266 /nfs/dbraw/zinc/75/62/66/451756266.db2.gz IRWQHODBFXZUIH-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+]C[C@@H](O)CCc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179838 451770401 /nfs/dbraw/zinc/77/04/01/451770401.db2.gz SZRPFHJIWUSZRY-IBGZPJMESA-N 2 0 343.475 1.565 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(OC)ns1 ZINC000639171172 451784166 /nfs/dbraw/zinc/78/41/66/451784166.db2.gz TZEFNEXEIWBQMI-AWEZNQCLSA-N 2 0 326.510 2.000 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220724 451787160 /nfs/dbraw/zinc/78/71/60/451787160.db2.gz DXFLDXIPXOYMLC-GOEBONIOSA-N 2 0 337.855 1.681 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000639270660 451802185 /nfs/dbraw/zinc/80/21/85/451802185.db2.gz QQHVMKNOFOFSSB-IBGZPJMESA-N 2 0 345.487 1.899 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000642006591 451804752 /nfs/dbraw/zinc/80/47/52/451804752.db2.gz QQYNYSNSQVFRAZ-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP CC(C)(C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)N1CCOCC1 ZINC000639304236 451817229 /nfs/dbraw/zinc/81/72/29/451817229.db2.gz REVBESVHCQABPY-UHFFFAOYSA-N 2 0 339.524 1.578 20 0 EDADRP Cc1nccn1C[C@@H](C)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644525246 451841567 /nfs/dbraw/zinc/84/15/67/451841567.db2.gz DGNXSDRHHPXEPR-QFBILLFUSA-N 3 0 330.476 1.910 20 0 EDADRP COc1ccccc1C(C)(C)C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644531262 451846064 /nfs/dbraw/zinc/84/60/64/451846064.db2.gz GFOFYKRLHRSALF-INIZCTEOSA-N 2 0 335.492 1.171 20 0 EDADRP COC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000644539752 451851403 /nfs/dbraw/zinc/85/14/03/451851403.db2.gz PVJUQAXRIZZFPC-HIFRSBDPSA-N 2 0 325.428 1.235 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000642321287 451859167 /nfs/dbraw/zinc/85/91/67/451859167.db2.gz WMFPXEQHMDTKNM-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644562016 451863300 /nfs/dbraw/zinc/86/33/00/451863300.db2.gz NZXAFSVMUQNVFT-POAQFYNOSA-N 2 0 331.504 1.909 20 0 EDADRP COCCOC[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649245837 451928349 /nfs/dbraw/zinc/92/83/49/451928349.db2.gz IIZFZONINHHIKW-SFHVURJKSA-N 2 0 328.497 1.598 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000642753709 451950221 /nfs/dbraw/zinc/95/02/21/451950221.db2.gz XYWADRCWCHXZLX-JUVOFCAFSA-N 2 0 338.496 1.100 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000642732165 451941162 /nfs/dbraw/zinc/94/11/62/451941162.db2.gz LFORTUXZNQRGIC-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCCC2)cc1 ZINC000649277584 451947256 /nfs/dbraw/zinc/94/72/56/451947256.db2.gz HAPJQUWQQKGNBW-HCXYKTFWSA-N 2 0 343.471 1.804 20 0 EDADRP COCCC1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000649287642 451961297 /nfs/dbraw/zinc/96/12/97/451961297.db2.gz YOBUXNMROJPGKR-UHFFFAOYSA-N 2 0 349.475 1.972 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649299261 451977209 /nfs/dbraw/zinc/97/72/09/451977209.db2.gz CPRUYFGWJBKKFI-GFCCVEGCSA-N 2 0 327.375 1.940 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)[NH+](C)C)cc1 ZINC000649302885 451978270 /nfs/dbraw/zinc/97/82/70/451978270.db2.gz BNHUJSCJFZGWCO-CABCVRRESA-N 2 0 325.403 1.959 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2cccnc2c1 ZINC000637629861 451979610 /nfs/dbraw/zinc/97/96/10/451979610.db2.gz CIYGHYIPZPTQGU-UHFFFAOYSA-N 2 0 343.475 1.870 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642906624 451984488 /nfs/dbraw/zinc/98/44/88/451984488.db2.gz XPAPDNWTIZETAS-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307422 451984723 /nfs/dbraw/zinc/98/47/23/451984723.db2.gz OKWWMARVAQJFRV-AYBZRNKSSA-N 2 0 331.460 1.707 20 0 EDADRP COCCC1(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000649309909 451987508 /nfs/dbraw/zinc/98/75/08/451987508.db2.gz JWOSSRSOBIGYQU-INIZCTEOSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649312354 451989240 /nfs/dbraw/zinc/98/92/40/451989240.db2.gz JGOUUWHWPZURQG-XWTMOSNGSA-N 2 0 336.524 1.378 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])ccc2oc1=O ZINC000649312347 451989819 /nfs/dbraw/zinc/98/98/19/451989819.db2.gz IZZAFVIIZGTELF-JSGCOSHPSA-N 2 0 346.431 1.470 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2)CC1 ZINC000646992103 451992133 /nfs/dbraw/zinc/99/21/33/451992133.db2.gz ZJIBTTDPNDGOBA-UHFFFAOYSA-N 2 0 330.476 1.782 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649344430 452025036 /nfs/dbraw/zinc/02/50/36/452025036.db2.gz XNZZRYFSSGEZLF-ZIAGYGMSSA-N 2 0 333.423 1.191 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000649350471 452033100 /nfs/dbraw/zinc/03/31/00/452033100.db2.gz FPPCDPFMYBGAFU-APWZRJJASA-N 2 0 328.460 1.515 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000649350103 452033579 /nfs/dbraw/zinc/03/35/79/452033579.db2.gz FEMQKWMLUJVDSL-AEFFLSMTSA-N 2 0 330.476 1.748 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090766 452055672 /nfs/dbraw/zinc/05/56/72/452055672.db2.gz XKEFCPIGDQQUSL-MRXNPFEDSA-N 3 0 330.476 1.094 20 0 EDADRP Cc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412996 452075973 /nfs/dbraw/zinc/07/59/73/452075973.db2.gz HCKNQGXKAZWRSS-QYZOEREBSA-N 2 0 328.460 1.759 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649414365 452076429 /nfs/dbraw/zinc/07/64/29/452076429.db2.gz VAHBGRPSLXZWKD-UFYCRDLUSA-N 2 0 331.504 1.581 20 0 EDADRP O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)N1CCC[NH2+]CC1 ZINC000637803877 452090899 /nfs/dbraw/zinc/09/08/99/452090899.db2.gz QFQJRXFHFPHEAI-AZUAARDMSA-N 2 0 343.471 1.347 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760161 452098534 /nfs/dbraw/zinc/09/85/34/452098534.db2.gz SJHTWZFGIPVCFN-GOSISDBHSA-N 2 0 348.487 1.990 20 0 EDADRP CC(C)Cn1nccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000647170826 452103355 /nfs/dbraw/zinc/10/33/55/452103355.db2.gz PXAYXAAEDOGHDS-UHFFFAOYSA-N 2 0 342.491 1.976 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645113063 452158032 /nfs/dbraw/zinc/15/80/32/452158032.db2.gz XBLDAWYRHRWDRB-NJAFHUGGSA-N 2 0 335.492 1.620 20 0 EDADRP CCCN(C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000645126845 452165646 /nfs/dbraw/zinc/16/56/46/452165646.db2.gz QMHPMEGCZGIVCV-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP CN(C)c1ncccc1O[C@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649611672 452167625 /nfs/dbraw/zinc/16/76/25/452167625.db2.gz GAJZGIRMLRTRJI-INIZCTEOSA-N 2 0 327.432 1.944 20 0 EDADRP CN(c1ccccc1C[NH2+]CC[C@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000651943147 452183313 /nfs/dbraw/zinc/18/33/13/452183313.db2.gz HIFDEIRVZLLTAL-FQEVSTJZSA-N 2 0 347.503 1.848 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)[NH+]2CCCC2)c1 ZINC000645157216 452183406 /nfs/dbraw/zinc/18/34/06/452183406.db2.gz NQRILBYWGQTAAI-IAGOWNOFSA-N 2 0 331.460 1.946 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC([NH+]2CC[C@@H](O)C2)C1 ZINC000651977836 452201009 /nfs/dbraw/zinc/20/10/09/452201009.db2.gz CMNNVVXOFLGWAX-LJQANCHMSA-N 2 0 331.504 1.895 20 0 EDADRP COc1cccc(C[N@H+](C)CCN2CC[NH2+]CC2)c1OC(F)F ZINC000647493390 452236811 /nfs/dbraw/zinc/23/68/11/452236811.db2.gz LBOYPXOOOGZSBF-UHFFFAOYSA-N 2 0 329.391 1.634 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CN(C)CCO1 ZINC000643474918 452240421 /nfs/dbraw/zinc/24/04/21/452240421.db2.gz NOQWEEUTVHPPPF-QNDJGXFYSA-N 2 0 331.460 1.551 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663553234 452260176 /nfs/dbraw/zinc/26/01/76/452260176.db2.gz MSACVLPGNZIEFK-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP C[N@@H+](Cc1ccc(Cl)c(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000638029446 452279196 /nfs/dbraw/zinc/27/91/96/452279196.db2.gz PMNCLUNXNUDGKT-UHFFFAOYSA-N 2 0 345.896 1.761 20 0 EDADRP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1CC[NH+](C)CC1 ZINC000645306956 452286043 /nfs/dbraw/zinc/28/60/43/452286043.db2.gz ZKPRCUYWDQEIIL-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000655494966 452292962 /nfs/dbraw/zinc/29/29/62/452292962.db2.gz JCYXAYUAPMYNKZ-AWEZNQCLSA-N 2 0 334.468 1.149 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659454664 452304167 /nfs/dbraw/zinc/30/41/67/452304167.db2.gz LLNUTGZXCOCFNO-TVRKMHQQSA-N 2 0 328.460 1.784 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000638047387 452316033 /nfs/dbraw/zinc/31/60/33/452316033.db2.gz GKTXNXPWYRJDMR-GOSISDBHSA-N 2 0 334.508 1.681 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCCOC1 ZINC000638050069 452321192 /nfs/dbraw/zinc/32/11/92/452321192.db2.gz JTFBDGIPKMYYKY-PKOBYXMFSA-N 2 0 331.460 1.695 20 0 EDADRP CCOC[C@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759480 452326624 /nfs/dbraw/zinc/32/66/24/452326624.db2.gz ILUJNKBVSUQIMM-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482053 452340762 /nfs/dbraw/zinc/34/07/62/452340762.db2.gz UGDRXVVHINIUDE-DZJNRPSUSA-N 2 0 348.466 1.978 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000657573055 452343044 /nfs/dbraw/zinc/34/30/44/452343044.db2.gz IOOCCNDJTJGXPT-INIZCTEOSA-N 2 0 334.508 1.750 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659490522 452350349 /nfs/dbraw/zinc/35/03/49/452350349.db2.gz WKTDEPSQVJUWAN-LRYGQEGESA-N 2 0 328.460 1.560 20 0 EDADRP COCCN1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657595195 452363653 /nfs/dbraw/zinc/36/36/53/452363653.db2.gz FVHGWLKMCUJRDV-OALUTQOASA-N 2 0 333.476 1.064 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638065863 452367872 /nfs/dbraw/zinc/36/78/72/452367872.db2.gz BZJMDXQYUDJZLN-JZXOWHBKSA-N 2 0 325.497 1.616 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179624 452373857 /nfs/dbraw/zinc/37/38/57/452373857.db2.gz SSXFWWFSBGYWQW-WBVHZDCISA-N 2 0 330.476 1.935 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000659518801 452381760 /nfs/dbraw/zinc/38/17/60/452381760.db2.gz KPILIWPYKHNQDF-KSZLIROESA-N 2 0 346.475 1.567 20 0 EDADRP [NH3+]C1CCC(NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000659519320 452382061 /nfs/dbraw/zinc/38/20/61/452382061.db2.gz PPNUGDHMQKQERR-UHFFFAOYSA-N 2 0 338.496 1.447 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CCO1 ZINC000659520451 452382818 /nfs/dbraw/zinc/38/28/18/452382818.db2.gz QIDGVVMCUQEAEW-DLBZAZTESA-N 2 0 334.464 1.439 20 0 EDADRP COC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CCCC[NH2+]1 ZINC000638077850 452391804 /nfs/dbraw/zinc/39/18/04/452391804.db2.gz BSPMPKUPKWAEBT-JQHSSLGASA-N 2 0 325.497 1.772 20 0 EDADRP CC1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[NH2+]CC1 ZINC000659530783 452392345 /nfs/dbraw/zinc/39/23/45/452392345.db2.gz VVYYERZABKCKSQ-IAGOWNOFSA-N 2 0 330.476 1.821 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659536065 452396690 /nfs/dbraw/zinc/39/66/90/452396690.db2.gz DXKNYFWQPWBTHK-RDJZCZTQSA-N 2 0 330.476 1.935 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000659541560 452399070 /nfs/dbraw/zinc/39/90/70/452399070.db2.gz IPNKEFXODJGCRS-SJLPKXTDSA-N 2 0 338.496 1.176 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000654351276 452400820 /nfs/dbraw/zinc/40/08/20/452400820.db2.gz DZRMXVXEKWOACY-KSZLIROESA-N 2 0 332.492 1.799 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652208582 452404420 /nfs/dbraw/zinc/40/44/20/452404420.db2.gz IVVGRPBGAYGYRI-TVFCKZIOSA-N 2 0 346.475 1.614 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659555660 452410896 /nfs/dbraw/zinc/41/08/96/452410896.db2.gz NNRDORLVQRHXIA-GKSGUAPZSA-N 2 0 340.418 1.835 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575988 452430984 /nfs/dbraw/zinc/43/09/84/452430984.db2.gz XLMBXJJDEBMGDQ-KZNAEPCWSA-N 2 0 330.476 1.916 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@H](C)[N@H+]1C ZINC000659577190 452432576 /nfs/dbraw/zinc/43/25/76/452432576.db2.gz PIJYWEPUOYAIQJ-CYGHRXIMSA-N 2 0 330.476 1.866 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659580492 452435289 /nfs/dbraw/zinc/43/52/89/452435289.db2.gz CPRSBWKAEDVPRS-JWZBEHFJSA-N 2 0 334.439 1.650 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000659580833 452435511 /nfs/dbraw/zinc/43/55/11/452435511.db2.gz FVDGKJQGZZMZSW-BZSNNMDCSA-N 2 0 346.450 1.807 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000659582008 452436486 /nfs/dbraw/zinc/43/64/86/452436486.db2.gz ZMDUEMFZWZLPLF-AXAPSJFSSA-N 2 0 338.402 1.414 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[NH2+]CC2)cc1 ZINC000659587216 452442661 /nfs/dbraw/zinc/44/26/61/452442661.db2.gz PWMOCSXBKMVZHD-ROUUACIJSA-N 2 0 346.475 1.536 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654404507 452456928 /nfs/dbraw/zinc/45/69/28/452456928.db2.gz OIEZHFOCSFQBML-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP CCCN(C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000645491429 452461355 /nfs/dbraw/zinc/46/13/55/452461355.db2.gz BPBWPBXBMKWGQR-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000652288878 452471458 /nfs/dbraw/zinc/47/14/58/452471458.db2.gz ANLIJGWMGMJAHO-OAHLLOKOSA-N 2 0 348.491 1.393 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652323785 452496745 /nfs/dbraw/zinc/49/67/45/452496745.db2.gz PEVJSMDTWNGBPL-IAGOWNOFSA-N 2 0 338.496 1.304 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659635552 452499075 /nfs/dbraw/zinc/49/90/75/452499075.db2.gz JKUIGLOLSPOJFN-MRXNPFEDSA-N 2 0 345.491 1.248 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1Cc2ccccc21 ZINC000663778476 452507846 /nfs/dbraw/zinc/50/78/46/452507846.db2.gz SQMBIADIQOFAGV-DOTOQJQBSA-N 2 0 332.492 1.898 20 0 EDADRP c1ccc(C[C@H](CN2CCOCC2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647784583 452520208 /nfs/dbraw/zinc/52/02/08/452520208.db2.gz ZCJNQAYYXIMABZ-XRXFAXGQSA-N 2 0 343.515 1.908 20 0 EDADRP Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000647788686 452522569 /nfs/dbraw/zinc/52/25/69/452522569.db2.gz OPXJZWVGOSTFGU-JENIJYKNSA-N 2 0 346.494 1.925 20 0 EDADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647788547 452522625 /nfs/dbraw/zinc/52/26/25/452522625.db2.gz LUZNJPXXUWSWOK-OWCLPIDISA-N 2 0 348.491 1.609 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349427 452525308 /nfs/dbraw/zinc/52/53/08/452525308.db2.gz OPUROMZGHBASHI-DHSIGJKJSA-N 2 0 345.447 1.793 20 0 EDADRP Fc1cccc(Cn2cnc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)n2)c1 ZINC000647795026 452526796 /nfs/dbraw/zinc/52/67/96/452526796.db2.gz IGQKMRLOWNMDJA-BFYDXBDKSA-N 2 0 329.423 1.943 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349429 452526863 /nfs/dbraw/zinc/52/68/63/452526863.db2.gz OPUROMZGHBASHI-JOQOYGCGSA-N 2 0 345.447 1.793 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)Cc1ccc(C(F)(F)F)cc1 ZINC000647804107 452537303 /nfs/dbraw/zinc/53/73/03/452537303.db2.gz JBXMNKDVOIGYMK-AAEUAGOBSA-N 2 0 343.393 1.808 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000657835183 452558713 /nfs/dbraw/zinc/55/87/13/452558713.db2.gz OKASIXSBRALHPF-IEBWSBKVSA-N 2 0 342.491 1.635 20 0 EDADRP CSc1ccccc1NC(=O)CC[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647835062 452570926 /nfs/dbraw/zinc/57/09/26/452570926.db2.gz KWAKUWMTSDULHL-UHFFFAOYSA-N 2 0 336.505 1.574 20 0 EDADRP COC1([C@@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000657868938 452580665 /nfs/dbraw/zinc/58/06/65/452580665.db2.gz DZBCOCXWFBNGOX-QGZVFWFLSA-N 2 0 347.507 1.926 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000647909118 452649234 /nfs/dbraw/zinc/64/92/34/452649234.db2.gz NBLHGDIGVWPNKV-UHFFFAOYSA-N 2 0 333.476 1.414 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000655921276 452684609 /nfs/dbraw/zinc/68/46/09/452684609.db2.gz NEIPATVCWVQPAG-KWCYVHTRSA-N 2 0 344.381 1.838 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCN1CC(F)(F)F ZINC000647978176 452723799 /nfs/dbraw/zinc/72/37/99/452723799.db2.gz NRKGVIBJBNQAAS-BFHYXJOUSA-N 2 0 333.398 1.861 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978140 452723912 /nfs/dbraw/zinc/72/39/12/452723912.db2.gz NFHBKPBQHCPQMW-FYQPLNBISA-N 3 0 331.504 1.629 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000658110607 452729916 /nfs/dbraw/zinc/72/99/16/452729916.db2.gz ZHAODKOHQRXLKH-HOTGVXAUSA-N 2 0 345.495 1.585 20 0 EDADRP CN(C[C@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000647989664 452730812 /nfs/dbraw/zinc/73/08/12/452730812.db2.gz UZYNMYSABNAJIQ-GXFFZTMASA-N 2 0 326.238 1.517 20 0 EDADRP Cc1ccc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000666283963 452742443 /nfs/dbraw/zinc/74/24/43/452742443.db2.gz IWBYOKBMKAEQRF-UHFFFAOYSA-N 2 0 334.508 1.981 20 0 EDADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@]3(OCCO)CCOC3)CC2)C1 ZINC000658148940 452757290 /nfs/dbraw/zinc/75/72/90/452757290.db2.gz PPDQUFVQAXXDIZ-QRQLOZEOSA-N 2 0 340.508 1.787 20 0 EDADRP CO[C@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000656022597 452809584 /nfs/dbraw/zinc/80/95/84/452809584.db2.gz LXBCNHOYNCVKLQ-DLBZAZTESA-N 2 0 338.496 1.221 20 0 EDADRP Cn1ccnc1CN(C(=O)C1CCC([NH3+])CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000648117874 452832984 /nfs/dbraw/zinc/83/29/84/452832984.db2.gz MPQYMPMUFOZFNL-GPANFISMSA-N 2 0 345.491 1.408 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000659942572 452837683 /nfs/dbraw/zinc/83/76/83/452837683.db2.gz MHCMCXPHYOHXDK-MRXNPFEDSA-N 2 0 339.524 1.970 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654727631 452843139 /nfs/dbraw/zinc/84/31/39/452843139.db2.gz QXLOAQSRLOBEGB-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000656104230 452863206 /nfs/dbraw/zinc/86/32/06/452863206.db2.gz KVEWMMVCIHSIRI-GJZGRUSLSA-N 2 0 338.496 1.048 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000650607889 452877798 /nfs/dbraw/zinc/87/77/98/452877798.db2.gz HTFOGRIRLWKQQL-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)[C@H]1C[NH2+]CCC1(F)F ZINC000648176944 452889214 /nfs/dbraw/zinc/88/92/14/452889214.db2.gz UUTYAMRKGZIMJC-SNVBAGLBSA-N 2 0 330.404 1.793 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@H]1C ZINC000659983494 452891147 /nfs/dbraw/zinc/89/11/47/452891147.db2.gz NZQQMHGNVYKUDT-GDBMZVCRSA-N 2 0 339.505 1.899 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C[NH+](C)C)cc1 ZINC000660008558 452916648 /nfs/dbraw/zinc/91/66/48/452916648.db2.gz CMDBMTKUZFPTNU-INIZCTEOSA-N 2 0 339.505 1.853 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000645953217 452933618 /nfs/dbraw/zinc/93/36/18/452933618.db2.gz JJPAFFICUSJECL-WBVHZDCISA-N 2 0 326.444 1.638 20 0 EDADRP O=C(c1ccc(O)cc1)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662249135 452972969 /nfs/dbraw/zinc/97/29/69/452972969.db2.gz QFVMUXQAUPNZTQ-KRWDZBQOSA-N 2 0 330.428 1.808 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261214 452989770 /nfs/dbraw/zinc/98/97/70/452989770.db2.gz GLMSIQNIXIEKSS-UHFFFAOYSA-N 2 0 344.503 1.318 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC(N3CC[C@@H](O)C3)C2)[NH+](C)C)cc1 ZINC000650779479 452990902 /nfs/dbraw/zinc/99/09/02/452990902.db2.gz DVURVWLNQDAQJB-MSOLQXFVSA-N 2 0 346.475 1.058 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002969 452997982 /nfs/dbraw/zinc/99/79/82/452997982.db2.gz LRRQKGCHXKEMRG-ZWKOTPCHSA-N 2 0 336.524 1.523 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000646003149 452999015 /nfs/dbraw/zinc/99/90/15/452999015.db2.gz ULJGMTXZIIOYKZ-MAUKXSAKSA-N 2 0 330.476 1.558 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000662337232 453053044 /nfs/dbraw/zinc/05/30/44/453053044.db2.gz KIPMMGFURXETOH-IRXDYDNUSA-N 2 0 347.507 1.958 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662336728 453053922 /nfs/dbraw/zinc/05/39/22/453053922.db2.gz GCBUVUYMQAERIS-SJORKVTESA-N 3 0 346.523 1.388 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000654956260 453068953 /nfs/dbraw/zinc/06/89/53/453068953.db2.gz AKOQNSNNMKGASV-ZWKOTPCHSA-N 2 0 335.492 1.309 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccsc1 ZINC000662379444 453087272 /nfs/dbraw/zinc/08/72/72/453087272.db2.gz YMBRFQAZHLLCKH-SMDDNHRTSA-N 2 0 333.461 1.581 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662394423 453104851 /nfs/dbraw/zinc/10/48/51/453104851.db2.gz GZZDCGCQKQZMRM-CQSZACIVSA-N 2 0 344.415 1.580 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000656365655 453140733 /nfs/dbraw/zinc/14/07/33/453140733.db2.gz PVKVZFHBYJTXSZ-IAGOWNOFSA-N 2 0 343.431 1.075 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000666785490 453146536 /nfs/dbraw/zinc/14/65/36/453146536.db2.gz BGIUHCIJPKUDNH-GDBMZVCRSA-N 2 0 332.448 1.973 20 0 EDADRP C[C@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000656380350 453152387 /nfs/dbraw/zinc/15/23/87/453152387.db2.gz IBZZURJAZXHDGS-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000662469287 453180255 /nfs/dbraw/zinc/18/02/55/453180255.db2.gz QGBATAGUTLUNLF-QGZVFWFLSA-N 2 0 337.439 1.783 20 0 EDADRP CC(C)[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000662479736 453193347 /nfs/dbraw/zinc/19/33/47/453193347.db2.gz LSAKULABBASOIT-SFHVURJKSA-N 2 0 330.476 1.292 20 0 EDADRP CN(CCC[NH3+])Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656455362 453197450 /nfs/dbraw/zinc/19/74/50/453197450.db2.gz DYCVECSTPLZRPU-SFHVURJKSA-N 2 0 328.464 1.506 20 0 EDADRP C[C@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000646189439 453202997 /nfs/dbraw/zinc/20/29/97/453202997.db2.gz IVKLKIWWTNXHQF-KSSFIOAISA-N 2 0 330.476 1.984 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000662505501 453220963 /nfs/dbraw/zinc/22/09/63/453220963.db2.gz MSEVAKWQSXVPBV-KEYYUXOJSA-N 2 0 343.475 1.576 20 0 EDADRP COCC1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000666893994 453221241 /nfs/dbraw/zinc/22/12/41/453221241.db2.gz SFKQKOUUYPDVIQ-UHFFFAOYSA-N 3 0 335.492 1.733 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000662531570 453255198 /nfs/dbraw/zinc/25/51/98/453255198.db2.gz IEDBLXSUEMLJKQ-LSDHHAIUSA-N 2 0 327.856 1.811 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662535508 453258956 /nfs/dbraw/zinc/25/89/56/453258956.db2.gz GNYAXKGKEGPKMO-ZDUSSCGKSA-N 2 0 325.478 1.480 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000660403546 453276993 /nfs/dbraw/zinc/27/69/93/453276993.db2.gz DAVYKGCRHHUFKU-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653107956 453291024 /nfs/dbraw/zinc/29/10/24/453291024.db2.gz DDODDIAOXYQRNL-KXBFYZLASA-N 2 0 347.434 1.142 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653108491 453292342 /nfs/dbraw/zinc/29/23/42/453292342.db2.gz ZKRBDPJTIQFMHS-ICSRJNTNSA-N 2 0 343.471 1.265 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc2c1C[NH2+]C2 ZINC000662571397 453298796 /nfs/dbraw/zinc/29/87/96/453298796.db2.gz OAHXWPVRUWXZTF-UHFFFAOYSA-N 2 0 328.460 1.236 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662576431 453303206 /nfs/dbraw/zinc/30/32/06/453303206.db2.gz XQMPGZKZHXGFSZ-WMLDXEAASA-N 2 0 349.500 1.752 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653125268 453320081 /nfs/dbraw/zinc/32/00/81/453320081.db2.gz UYYSRMOPXONGOY-OALUTQOASA-N 2 0 344.503 1.481 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000651169978 453330780 /nfs/dbraw/zinc/33/07/80/453330780.db2.gz AMXCWCNGAXAJDQ-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000653149105 453336641 /nfs/dbraw/zinc/33/66/41/453336641.db2.gz XDVVQEBTMBVKEI-MRXNPFEDSA-N 2 0 340.899 1.509 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000662630605 453347604 /nfs/dbraw/zinc/34/76/04/453347604.db2.gz GDWJFGAGMFCHKA-KRWDZBQOSA-N 2 0 334.508 1.712 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000667068582 453384491 /nfs/dbraw/zinc/38/44/91/453384491.db2.gz AKEGQGLXNTWXJG-OAHLLOKOSA-N 2 0 330.432 1.219 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681105 453402452 /nfs/dbraw/zinc/40/24/52/453402452.db2.gz AUZAFAPFKVXSIS-NEPJUHHUSA-N 2 0 325.400 1.082 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000662687623 453407664 /nfs/dbraw/zinc/40/76/64/453407664.db2.gz HPLJMKRJXWCEDO-RBSFLKMASA-N 2 0 349.479 1.106 20 0 EDADRP C[C@]([NH3+])(C(=O)NCCC1(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000653220956 453409367 /nfs/dbraw/zinc/40/93/67/453409367.db2.gz AKGWDGZYKCRVBE-CQSZACIVSA-N 2 0 340.265 1.868 20 0 EDADRP Cc1c(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)nnn1C1CC[NH2+]CC1 ZINC000662695412 453416471 /nfs/dbraw/zinc/41/64/71/453416471.db2.gz ZXBCYPNPUDXUAO-CQSZACIVSA-N 2 0 348.495 1.361 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000662699386 453419309 /nfs/dbraw/zinc/41/93/09/453419309.db2.gz QDVMLOISKKZFLA-BPUTZDHNSA-N 2 0 337.489 1.440 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(N3CCOC[C@@H]3C)CC2)C[C@@H](C)O1 ZINC000660589013 453430773 /nfs/dbraw/zinc/43/07/73/453430773.db2.gz DBRFGENLAXCRQO-GVDBMIGSSA-N 2 0 325.497 1.281 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709517 453432469 /nfs/dbraw/zinc/43/24/69/453432469.db2.gz SLXRCDLAQUQZOL-IRXDYDNUSA-N 2 0 335.423 1.238 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662710568 453434060 /nfs/dbraw/zinc/43/40/60/453434060.db2.gz HKXPSRGMGVLSHH-XHSDSOJGSA-N 2 0 348.495 1.585 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711923 453436112 /nfs/dbraw/zinc/43/61/12/453436112.db2.gz CVOGVBXFWGPDHU-MSOLQXFVSA-N 2 0 345.487 1.769 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC000667148645 453438393 /nfs/dbraw/zinc/43/83/93/453438393.db2.gz JKFRRSHRAPWJNI-VBNZEHGJSA-N 2 0 326.404 1.858 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000653261424 453445171 /nfs/dbraw/zinc/44/51/71/453445171.db2.gz RJFNPDGGEVUSTI-MQYQWHSLSA-N 2 0 331.407 1.119 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CNCC[C@@H]2c2cccc(F)c2)C1 ZINC000656788830 453446653 /nfs/dbraw/zinc/44/66/53/453446653.db2.gz HGRJMSPQTOHREQ-BMGDILEWSA-N 2 0 348.466 1.058 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000662738047 453462091 /nfs/dbraw/zinc/46/20/91/453462091.db2.gz DEIWIOCBCOFPQS-MRXNPFEDSA-N 2 0 344.459 1.673 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)CC2([NH3+])CC2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000662738046 453463246 /nfs/dbraw/zinc/46/32/46/453463246.db2.gz DEIWIOCBCOFPQS-INIZCTEOSA-N 2 0 344.459 1.673 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000662746619 453476150 /nfs/dbraw/zinc/47/61/50/453476150.db2.gz VFMSJUJSFUNOGE-INMHGKMJSA-N 2 0 348.495 1.395 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758908 453495675 /nfs/dbraw/zinc/49/56/75/453495675.db2.gz VCZTUMBUOPPLSF-QGZVFWFLSA-N 2 0 330.476 1.761 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000667266174 453525151 /nfs/dbraw/zinc/52/51/51/453525151.db2.gz OXJRYILEPZWDQP-KRWDZBQOSA-N 2 0 346.475 1.725 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660701404 453525517 /nfs/dbraw/zinc/52/55/17/453525517.db2.gz SCRZDOFSSVJDKX-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000662797018 453532223 /nfs/dbraw/zinc/53/22/23/453532223.db2.gz UOVSGDKJXCEYML-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655446367 453534373 /nfs/dbraw/zinc/53/43/73/453534373.db2.gz PTRQSVOEYPAEGJ-PKOBYXMFSA-N 2 0 334.508 1.051 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c(F)c1 ZINC000662829963 453555887 /nfs/dbraw/zinc/55/58/87/453555887.db2.gz QLPDWRQXQFANHO-CQSZACIVSA-N 2 0 346.410 1.121 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H](C)C[NH2+]C)c(C)c2)CC1 ZINC000658981579 453562214 /nfs/dbraw/zinc/56/22/14/453562214.db2.gz RGYVXIMKYJRFJV-HNNXBMFYSA-N 2 0 333.480 1.866 20 0 EDADRP O=C(N1CCC[C@H](C2CC[NH2+]CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662841216 453564402 /nfs/dbraw/zinc/56/44/02/453564402.db2.gz JAMHLDZQQBBKSP-KRWDZBQOSA-N 2 0 345.491 1.200 20 0 EDADRP [NH3+]C1(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000662846731 453567910 /nfs/dbraw/zinc/56/79/10/453567910.db2.gz UIIQVYCWIIKWGA-SFHVURJKSA-N 2 0 327.472 1.721 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1F ZINC000662870326 453581712 /nfs/dbraw/zinc/58/17/12/453581712.db2.gz DGWPFIWKQJAMHS-UTXMOHQDSA-N 2 0 349.450 1.736 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660835308 453597291 /nfs/dbraw/zinc/59/72/91/453597291.db2.gz UITWFXYISQSRPH-MRXNPFEDSA-N 2 0 331.451 1.903 20 0 EDADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000665263222 453629630 /nfs/dbraw/zinc/62/96/30/453629630.db2.gz IPCBZDCNEULIBQ-OWCLPIDISA-N 2 0 344.521 1.481 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973263 453631539 /nfs/dbraw/zinc/63/15/39/453631539.db2.gz XNELQNYXSHLFBL-VQIMIIECSA-N 2 0 337.508 1.757 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660885793 453632090 /nfs/dbraw/zinc/63/20/90/453632090.db2.gz ARJYHIRJBXEOTD-KBRIMQKVSA-N 2 0 336.480 1.022 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(CO)c2)CC1 ZINC000665287217 453635131 /nfs/dbraw/zinc/63/51/31/453635131.db2.gz FNGVEJLQNMYZGJ-HNNXBMFYSA-N 2 0 333.476 1.820 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363979 453668551 /nfs/dbraw/zinc/66/85/51/453668551.db2.gz HAACKKBJVUDGKC-INIZCTEOSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349836 453724456 /nfs/dbraw/zinc/72/44/56/453724456.db2.gz NBAHYSMLEUBVHV-QDEZUTFSSA-N 2 0 337.414 1.902 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000663240498 453743677 /nfs/dbraw/zinc/74/36/77/453743677.db2.gz ISMDZYUZDBOVQY-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2nc3c(s2)CCC3)CC1 ZINC000663503968 453811440 /nfs/dbraw/zinc/81/14/40/453811440.db2.gz OFQFRTWDDRUMCO-UHFFFAOYSA-N 2 0 336.505 1.712 20 0 EDADRP COCC[C@@H]([NH3+])Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630596806 486667993 /nfs/dbraw/zinc/66/79/93/486667993.db2.gz SJZOUIZSSFEXTO-ZWKOTPCHSA-N 2 0 343.475 1.707 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000680012726 486695138 /nfs/dbraw/zinc/69/51/38/486695138.db2.gz VRUTXFILVZWQGQ-HKUYNNGSSA-N 2 0 345.487 1.688 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000683420263 486714352 /nfs/dbraw/zinc/71/43/52/486714352.db2.gz CYRNAELYJQXCED-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000414928984 486734124 /nfs/dbraw/zinc/73/41/24/486734124.db2.gz QWMJIZVTGVJQHB-IAGOWNOFSA-N 2 0 331.460 1.951 20 0 EDADRP CN1C(=O)N[C@]2(CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1=O ZINC000671757603 486742949 /nfs/dbraw/zinc/74/29/49/486742949.db2.gz NEJGEEGUNFAZSQ-LSPIHWNJSA-N 2 0 334.464 1.169 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683560160 486756026 /nfs/dbraw/zinc/75/60/26/486756026.db2.gz NXXLLXWNYSABRC-UHFFFAOYSA-N 2 0 343.475 1.788 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415647407 486763158 /nfs/dbraw/zinc/76/31/58/486763158.db2.gz NWGSXVOWNKSUJR-ZBFHGGJFSA-N 2 0 332.448 1.115 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000417370815 486797522 /nfs/dbraw/zinc/79/75/22/486797522.db2.gz UMIIVPIJUNWING-HOTGVXAUSA-N 2 0 334.464 1.696 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC[C@H]1[NH3+] ZINC000667548521 486839258 /nfs/dbraw/zinc/83/92/58/486839258.db2.gz OUOOVNDPASWFBA-RHSMWYFYSA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c2C1 ZINC000667559385 486845286 /nfs/dbraw/zinc/84/52/86/486845286.db2.gz LCQFPLHWGGHMDO-QWHCGFSZSA-N 2 0 332.448 1.449 20 0 EDADRP O=C(C[N@@H+]1CC[C@@H](Cc2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000680888871 486886371 /nfs/dbraw/zinc/88/63/71/486886371.db2.gz FUUDCVIELOFUKA-KRWDZBQOSA-N 2 0 342.487 1.689 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000673224781 486958222 /nfs/dbraw/zinc/95/82/22/486958222.db2.gz AQPAMRJJQZHOLZ-LSDHHAIUSA-N 2 0 340.512 1.068 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667804629 486973470 /nfs/dbraw/zinc/97/34/70/486973470.db2.gz JHBFMODGQZBUQR-MRXNPFEDSA-N 2 0 331.464 1.969 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189723 487001979 /nfs/dbraw/zinc/00/19/79/487001979.db2.gz BWBPQUMPLJQLJU-FUHWJXTLSA-N 2 0 330.476 1.846 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000667990173 487049943 /nfs/dbraw/zinc/04/99/43/487049943.db2.gz SZJLCEPDWITBIC-QGZVFWFLSA-N 2 0 333.476 1.595 20 0 EDADRP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000673809815 487119227 /nfs/dbraw/zinc/11/92/27/487119227.db2.gz LIZKQSXCDZNXHK-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000684773461 487160121 /nfs/dbraw/zinc/16/01/21/487160121.db2.gz XPDRTRGCHXERNQ-HNNXBMFYSA-N 2 0 333.476 1.674 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCN3CCCC3=O)CC2)CC1 ZINC000677738244 487161876 /nfs/dbraw/zinc/16/18/76/487161876.db2.gz GYEJGQCDNHXYFZ-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000677899812 487195259 /nfs/dbraw/zinc/19/52/59/487195259.db2.gz OPLDKSSSGAYSDM-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP NC(=O)C[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685474827 487281050 /nfs/dbraw/zinc/28/10/50/487281050.db2.gz LYUPINHBZSTRQB-QGZVFWFLSA-N 2 0 331.460 1.859 20 0 EDADRP C[C@@H]1N(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOC1(C)C ZINC000675651977 487432350 /nfs/dbraw/zinc/43/23/50/487432350.db2.gz UMPDFBAISKJJIT-GJZGRUSLSA-N 2 0 338.496 1.364 20 0 EDADRP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672900346 485492248 /nfs/dbraw/zinc/49/22/48/485492248.db2.gz ZRVDWMZPGQDDND-MSOLQXFVSA-N 2 0 336.524 1.489 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000669539459 485522497 /nfs/dbraw/zinc/52/24/97/485522497.db2.gz ASJRTKUADZZHBI-ARFHVFGLSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669561110 485568690 /nfs/dbraw/zinc/56/86/90/485568690.db2.gz JPUQDRHWAUANON-JOCBIADPSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000669561090 485569325 /nfs/dbraw/zinc/56/93/25/485569325.db2.gz FYXVOBNSWSRUDW-LAQRGFTBSA-N 2 0 346.475 1.265 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000669567365 485579764 /nfs/dbraw/zinc/57/97/64/485579764.db2.gz DWSGWJNYCFIEKM-GBESFXJTSA-N 2 0 344.503 1.978 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000669036490 485585404 /nfs/dbraw/zinc/58/54/04/485585404.db2.gz UZQFAONPWSBCQV-DLBZAZTESA-N 2 0 340.512 1.565 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000669583555 485631939 /nfs/dbraw/zinc/63/19/39/485631939.db2.gz WJMBZSKIRGCVSX-NXNVCVFFSA-N 2 0 334.464 1.435 20 0 EDADRP CO[C@H](c1ccc(F)cc1)[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584405354 485855718 /nfs/dbraw/zinc/85/57/18/485855718.db2.gz BGZFZABUTHKIJG-JLSDUUJJSA-N 2 0 339.455 1.100 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000347076205 486010612 /nfs/dbraw/zinc/01/06/12/486010612.db2.gz VCVQNNCYNUHKGF-DDBAPUKQSA-N 2 0 335.492 1.428 20 0 EDADRP O=C1COc2ccc(C[NH2+]C3CCN([C@H]4CCOC4)CC3)cc2N1 ZINC000668691769 486055818 /nfs/dbraw/zinc/05/58/18/486055818.db2.gz BUWWNNMTFZRZON-HNNXBMFYSA-N 2 0 331.416 1.360 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000675196162 486059540 /nfs/dbraw/zinc/05/95/40/486059540.db2.gz ZMHPPHGJXJYPTG-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405918 486077857 /nfs/dbraw/zinc/07/78/57/486077857.db2.gz OCQBOMHVFSBBSM-QKPAOTATSA-N 2 0 340.512 1.501 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669420086 486138939 /nfs/dbraw/zinc/13/89/39/486138939.db2.gz AAMSUHSHWWNIOK-GBESFXJTSA-N 2 0 342.487 1.759 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000669443181 486199489 /nfs/dbraw/zinc/19/94/89/486199489.db2.gz JUSCRFINCFLKCZ-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000669473269 486227150 /nfs/dbraw/zinc/22/71/50/486227150.db2.gz ILLRBCZBNXWMDZ-SJORKVTESA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NCC1CC[NH2+]CC1 ZINC000669483049 486248443 /nfs/dbraw/zinc/24/84/43/486248443.db2.gz FTIKUIVGRZAPHN-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000668839887 486248569 /nfs/dbraw/zinc/24/85/69/486248569.db2.gz GCPRYOGGHIAGHK-YJBOKZPZSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000669496382 486270784 /nfs/dbraw/zinc/27/07/84/486270784.db2.gz HYSVMQJTYHPLLV-OAHLLOKOSA-N 2 0 344.503 1.854 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000458641739 486456175 /nfs/dbraw/zinc/45/61/75/486456175.db2.gz BYBHPMNVNLHYAA-MQVJKMGUSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000381602320 486645297 /nfs/dbraw/zinc/64/52/97/486645297.db2.gz LEVOBMUKQAHFRZ-ZBFHGGJFSA-N 2 0 341.377 1.919 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000080700675 491173658 /nfs/dbraw/zinc/17/36/58/491173658.db2.gz IKWXKHNHZGROSL-ZWKOTPCHSA-N 2 0 334.508 1.844 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000081787501 491181043 /nfs/dbraw/zinc/18/10/43/491181043.db2.gz DMOHSEFLSNIUHC-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000112921661 517655084 /nfs/dbraw/zinc/65/50/84/517655084.db2.gz VOACYNOCMJCGNR-KRWDZBQOSA-N 2 0 346.519 1.752 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[NH+](C)C)cc1 ZINC000188693410 524029234 /nfs/dbraw/zinc/02/92/34/524029234.db2.gz FENGEMNFPKPRMI-QGZVFWFLSA-N 2 0 341.459 1.651 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH2+]C2CCCCCC2)C1(C)C ZINC000187181222 527978953 /nfs/dbraw/zinc/97/89/53/527978953.db2.gz WJGNEGIIESKCAE-QAPCUYQASA-N 2 0 325.497 1.948 20 0 EDADRP CC1CC[NH+](CC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000183772426 528231140 /nfs/dbraw/zinc/23/11/40/528231140.db2.gz XZCXQHLOHXYDJZ-IBGZPJMESA-N 2 0 345.487 1.601 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174857911 528284412 /nfs/dbraw/zinc/28/44/12/528284412.db2.gz RXXFLPNVAOHBST-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159199455 529146733 /nfs/dbraw/zinc/14/67/33/529146733.db2.gz KYFBRTIGEXAKLT-KRWDZBQOSA-N 2 0 341.544 1.242 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262695463 535059031 /nfs/dbraw/zinc/05/90/31/535059031.db2.gz DALGOKMZBOIODT-INIZCTEOSA-N 2 0 347.463 1.824 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000246431409 535119924 /nfs/dbraw/zinc/11/99/24/535119924.db2.gz MWYCMXIVSDBDPM-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP CC1CC[NH+](CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000331365277 535275104 /nfs/dbraw/zinc/27/51/04/535275104.db2.gz DAOQIFOJZBQBGS-GOSISDBHSA-N 2 0 331.460 1.924 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2CCC[NH2+]2)cc1OC ZINC000236883321 535553812 /nfs/dbraw/zinc/55/38/12/535553812.db2.gz BJHRFYLTFSCOEL-MRXNPFEDSA-N 2 0 349.475 1.784 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894855 535594414 /nfs/dbraw/zinc/59/44/14/535594414.db2.gz YMRKSCUKFASFQN-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1CCOC ZINC000345733819 535833986 /nfs/dbraw/zinc/83/39/86/535833986.db2.gz CHOZASPNPQHKQR-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)CCOCCNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000345989840 535901460 /nfs/dbraw/zinc/90/14/60/535901460.db2.gz BNRQPODOBTWKQE-UHFFFAOYSA-N 2 0 328.416 1.555 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2csc(CC[NH3+])n2)c1 ZINC000261772199 535913982 /nfs/dbraw/zinc/91/39/82/535913982.db2.gz RBJNRFVGXKCXIK-UHFFFAOYSA-N 2 0 334.445 1.837 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271474489 536075328 /nfs/dbraw/zinc/07/53/28/536075328.db2.gz ZTMNLTDUKMDAAC-LJQANCHMSA-N 2 0 344.503 1.357 20 0 EDADRP CCc1cc(OC)ccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261959801 536156515 /nfs/dbraw/zinc/15/65/15/536156515.db2.gz PCPNYBGVSDTPAU-GOSISDBHSA-N 2 0 345.487 1.901 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000333162880 536370709 /nfs/dbraw/zinc/37/07/09/536370709.db2.gz GTAUKIHBQYSFDQ-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@H]1C ZINC000740884268 579388189 /nfs/dbraw/zinc/38/81/89/579388189.db2.gz SXNKOVLWMGEKCD-GDBMZVCRSA-N 2 0 339.505 1.681 20 0 EDADRP Cc1cccc2c1OCC[C@@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741084278 579396836 /nfs/dbraw/zinc/39/68/36/579396836.db2.gz FJHRLEZLJIBVOC-KRWDZBQOSA-N 2 0 348.491 1.953 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000729606750 578584517 /nfs/dbraw/zinc/58/45/17/578584517.db2.gz PZNQCFTUTNNKOJ-IAGOWNOFSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000730109535 578615328 /nfs/dbraw/zinc/61/53/28/578615328.db2.gz SJUJJSLZEVCSEZ-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000732569744 578719280 /nfs/dbraw/zinc/71/92/80/578719280.db2.gz ZSWNTVXKQKKWQI-UHFFFAOYSA-N 2 0 325.478 1.150 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734277540 578804726 /nfs/dbraw/zinc/80/47/26/578804726.db2.gz XAKWKKXBEMPPOD-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736758325 579018022 /nfs/dbraw/zinc/01/80/22/579018022.db2.gz FWWHRPJTTJZXRY-AWEZNQCLSA-N 2 0 330.436 1.519 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)NCCN1CCC([NH+](C)C)CC1 ZINC000749006691 579709886 /nfs/dbraw/zinc/70/98/86/579709886.db2.gz URHNETHEFAYASR-UHFFFAOYSA-N 2 0 343.585 1.064 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000749546251 579730018 /nfs/dbraw/zinc/73/00/18/579730018.db2.gz BKVKEKWYJVRUIV-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000758271887 579978736 /nfs/dbraw/zinc/97/87/36/579978736.db2.gz HNOKLGICQIOMLE-IAGOWNOFSA-N 2 0 332.517 1.990 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000759157961 579999840 /nfs/dbraw/zinc/99/98/40/579999840.db2.gz REXGYEDCCPNGCH-UHFFFAOYSA-N 2 0 342.528 1.907 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]CC3(O)CC[NH+](C)CC3)CC2)cc1 ZINC000766123470 580159700 /nfs/dbraw/zinc/15/97/00/580159700.db2.gz PCXDHMVOWZECTP-UHFFFAOYSA-N 2 0 346.519 1.768 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1CO ZINC000779764510 580496581 /nfs/dbraw/zinc/49/65/81/580496581.db2.gz QFRNMRSMQYSEEI-IBGZPJMESA-N 2 0 347.503 1.596 20 0 EDADRP C[NH+](C)C1(C(=O)N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067926 580510862 /nfs/dbraw/zinc/51/08/62/580510862.db2.gz CJWGJBRAFOAYGZ-KRWDZBQOSA-N 2 0 330.476 1.846 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000780208181 580516054 /nfs/dbraw/zinc/51/60/54/580516054.db2.gz JUGYPARYPSBCJK-CABCVRRESA-N 2 0 342.553 1.122 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000783920776 580608410 /nfs/dbraw/zinc/60/84/10/580608410.db2.gz OUMCYDGELIINPA-FUHWJXTLSA-N 2 0 330.476 1.894 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc2c[nH+]cn2c1 ZINC000786158749 580663130 /nfs/dbraw/zinc/66/31/30/580663130.db2.gz GQUKBLGBVJHWMI-QGZVFWFLSA-N 2 0 328.416 1.708 20 0 EDADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)n(C)n1 ZINC000793529857 580847183 /nfs/dbraw/zinc/84/71/83/580847183.db2.gz XXNWXEWQFIGXJL-OAHLLOKOSA-N 2 0 343.475 1.871 20 0 EDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794532722 580896617 /nfs/dbraw/zinc/89/66/17/580896617.db2.gz HYYYKACOGRKETO-LSDHHAIUSA-N 2 0 329.485 1.678 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000891826079 590639765 /nfs/dbraw/zinc/63/97/65/590639765.db2.gz BOVZRXSFZKEHJF-QGZVFWFLSA-N 2 0 346.475 1.835 20 0 EDADRP Cc1nn(C(C)C)c(C)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000891833021 590644131 /nfs/dbraw/zinc/64/41/31/590644131.db2.gz GGCRVXCJCXITQB-UHFFFAOYSA-N 2 0 349.523 1.971 20 0 EDADRP COCCC1(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH2+]CC1 ZINC000891857449 590658045 /nfs/dbraw/zinc/65/80/45/590658045.db2.gz BTZNMUBRLAVAFV-MRXNPFEDSA-N 2 0 338.496 1.461 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891917081 590687574 /nfs/dbraw/zinc/68/75/74/590687574.db2.gz GJCRIHMAGZHNNU-INIZCTEOSA-N 2 0 338.496 1.320 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000892055182 590775097 /nfs/dbraw/zinc/77/50/97/590775097.db2.gz ZTLCWWGVVZHPEI-UHFFFAOYSA-N 2 0 340.512 1.376 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C1 ZINC000892053818 590775465 /nfs/dbraw/zinc/77/54/65/590775465.db2.gz AMEDVQGDQLEWLO-WBVHZDCISA-N 2 0 334.464 1.232 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)[C@@H]2C1 ZINC000892131435 590814399 /nfs/dbraw/zinc/81/43/99/590814399.db2.gz ZZEPTEBDPAHNGO-SJLPKXTDSA-N 2 0 343.475 1.392 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000892149522 590821946 /nfs/dbraw/zinc/82/19/46/590821946.db2.gz FSCKMXFBDBNUSH-NQZOLGFYSA-N 2 0 334.439 1.650 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000892157635 590829397 /nfs/dbraw/zinc/82/93/97/590829397.db2.gz UDIDWIKRACVMBQ-UONOGXRCSA-N 2 0 326.391 1.243 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1C(F)(F)F ZINC000892186760 590853843 /nfs/dbraw/zinc/85/38/43/590853843.db2.gz CCWOBECSBOASIS-SYLRKERUSA-N 2 0 334.386 1.153 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000892188730 590855503 /nfs/dbraw/zinc/85/55/03/590855503.db2.gz SCOIQNJCDREGGZ-WCXIOVBPSA-N 2 0 343.475 1.690 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NCC[NH+]2CCC(O)CC2)([NH+](C)C)C1 ZINC000892236856 590880449 /nfs/dbraw/zinc/88/04/49/590880449.db2.gz HDJUYYYGTIJLKR-CRAIPNDOSA-N 2 0 340.512 1.253 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892241346 590883128 /nfs/dbraw/zinc/88/31/28/590883128.db2.gz QCTGKHNMUPGURY-CALCHBBNSA-N 2 0 331.464 1.330 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000892280546 590910029 /nfs/dbraw/zinc/91/00/29/590910029.db2.gz BPWADTFRWMERTM-WMZOPIPTSA-N 2 0 348.491 1.290 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892326445 590947720 /nfs/dbraw/zinc/94/77/20/590947720.db2.gz CDZCAJAUTYMAEK-LJQANCHMSA-N 2 0 328.460 1.617 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892347634 590975908 /nfs/dbraw/zinc/97/59/08/590975908.db2.gz IFKSGTXIDKGGNC-UHFFFAOYSA-N 2 0 330.476 1.816 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)[NH2+]C1 ZINC000892384293 591003802 /nfs/dbraw/zinc/00/38/02/591003802.db2.gz MBONSZJJEMEQMP-QGZVFWFLSA-N 2 0 332.492 1.978 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000892389996 591007117 /nfs/dbraw/zinc/00/71/17/591007117.db2.gz QIIADZSSGZKVRU-JKSUJKDBSA-N 2 0 338.496 1.128 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)C2)C1 ZINC000892407699 591015123 /nfs/dbraw/zinc/01/51/23/591015123.db2.gz CRAHPMMEGCRDEY-PKOBYXMFSA-N 2 0 330.476 1.684 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC[N@@H+]1C ZINC000892412931 591017728 /nfs/dbraw/zinc/01/77/28/591017728.db2.gz HOPDGYNRAUZNSQ-ZWKOTPCHSA-N 2 0 332.492 1.928 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000892437452 591027969 /nfs/dbraw/zinc/02/79/69/591027969.db2.gz MJLQWPWPESUYGD-ULQDDVLXSA-N 2 0 338.496 1.258 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000892455888 591033966 /nfs/dbraw/zinc/03/39/66/591033966.db2.gz PNXGPGGDWUHAPF-NDUQDZPOSA-N 2 0 336.480 1.280 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000892479721 591041500 /nfs/dbraw/zinc/04/15/00/591041500.db2.gz LQFYPITYOQQSDJ-MRXNPFEDSA-N 2 0 348.491 1.768 20 0 EDADRP COCCC1(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]CC1 ZINC000892478742 591041739 /nfs/dbraw/zinc/04/17/39/591041739.db2.gz PXPQXHWEUIENQP-CQSZACIVSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CC1 ZINC000892487243 591045394 /nfs/dbraw/zinc/04/53/94/591045394.db2.gz HHPGVXMNHGMZEQ-UHFFFAOYSA-N 2 0 331.460 1.590 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891356790 591057636 /nfs/dbraw/zinc/05/76/36/591057636.db2.gz RHXIPFJDBYGYCH-UHFFFAOYSA-N 2 0 339.528 1.365 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892529861 591059854 /nfs/dbraw/zinc/05/98/54/591059854.db2.gz DAVAZONAIBYFEK-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@](C)(C[NH3+])C3)C2)cc1 ZINC000892530691 591060688 /nfs/dbraw/zinc/06/06/88/591060688.db2.gz VDIFFQJZEJHQKC-IEBWSBKVSA-N 2 0 330.476 1.950 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)cc1 ZINC000892530168 591060983 /nfs/dbraw/zinc/06/09/83/591060983.db2.gz JWLMHTBNLAPNIY-QGZVFWFLSA-N 2 0 346.475 1.376 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H]1C(F)(F)F ZINC000891364817 591062266 /nfs/dbraw/zinc/06/22/66/591062266.db2.gz YKMWXSWVRWDUGW-NDBYEHHHSA-N 2 0 334.386 1.392 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)NC3CCC(C)([NH+](C)C)CC3)C[C@H]2[NH3+])cn1 ZINC000892533612 591062440 /nfs/dbraw/zinc/06/24/40/591062440.db2.gz YLTXFAFFLNTVHD-BNQMIIOLSA-N 2 0 348.495 1.119 20 0 EDADRP COCCOc1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000892542058 591066244 /nfs/dbraw/zinc/06/62/44/591066244.db2.gz KFIIAVDABIGPAW-UHFFFAOYSA-N 2 0 325.453 1.420 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000891412878 591070270 /nfs/dbraw/zinc/07/02/70/591070270.db2.gz GQWFLPSFRHGENH-MSOLQXFVSA-N 2 0 332.492 1.973 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000892587674 591082437 /nfs/dbraw/zinc/08/24/37/591082437.db2.gz ORPMSYRISOOBCU-NRSFXHEJSA-N 2 0 334.508 1.938 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000891518381 591104856 /nfs/dbraw/zinc/10/48/56/591104856.db2.gz PWWLOXBXHHEQIH-WMLDXEAASA-N 2 0 346.475 1.274 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891540183 591117187 /nfs/dbraw/zinc/11/71/87/591117187.db2.gz MEEGQRCWGFNOBZ-YNEHKIRRSA-N 2 0 336.402 1.639 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CCCCC[C@H]([NH3+])C3)C2)CC1 ZINC000891561132 591125980 /nfs/dbraw/zinc/12/59/80/591125980.db2.gz URVPGOSCMWQUBG-HOTGVXAUSA-N 3 0 337.512 1.068 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000891565640 591128025 /nfs/dbraw/zinc/12/80/25/591128025.db2.gz QUTNLHQLTRDALE-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000891563176 591129749 /nfs/dbraw/zinc/12/97/49/591129749.db2.gz ADFSBDUXASQHEH-WCVJEAGWSA-N 2 0 326.485 1.160 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000892722292 591148364 /nfs/dbraw/zinc/14/83/64/591148364.db2.gz HFFVCMZEFALSMJ-UHFFFAOYSA-N 2 0 347.503 1.829 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642846 591164355 /nfs/dbraw/zinc/16/43/55/591164355.db2.gz AALSZADIGDBCBT-DDBAPUKQSA-N 2 0 330.476 1.934 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000892804298 591183603 /nfs/dbraw/zinc/18/36/03/591183603.db2.gz SFLPBPUDQRHZCN-QYZOEREBSA-N 2 0 342.487 1.827 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891697584 591189107 /nfs/dbraw/zinc/18/91/07/591189107.db2.gz GXZHXRFMSKBPKI-GJZGRUSLSA-N 2 0 346.466 1.898 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@@H]1c1ccccc1 ZINC000891723676 591198935 /nfs/dbraw/zinc/19/89/35/591198935.db2.gz SWENUASXCDQUNJ-SJORKVTESA-N 2 0 325.416 1.908 20 0 EDADRP C[N@@H+]1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CCC1(C)C ZINC000892877660 591212656 /nfs/dbraw/zinc/21/26/56/591212656.db2.gz HVFDHZOSRZLIHZ-UHFFFAOYSA-N 2 0 337.493 1.496 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000892883373 591215852 /nfs/dbraw/zinc/21/58/52/591215852.db2.gz BWBOWISZZQQCJA-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP c1ccc2c(c1)CC(C[NH2+][C@@H]1CCCN(CCN3CCOCC3)C1)C2 ZINC000895686011 591248945 /nfs/dbraw/zinc/24/89/45/591248945.db2.gz PPYKNVCEPMWCLX-OAQYLSRUSA-N 2 0 343.515 1.788 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@H]3CCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999120 591250469 /nfs/dbraw/zinc/25/04/69/591250469.db2.gz AQDGEAALYSSBMJ-IPMKNSEASA-N 2 0 342.487 1.997 20 0 EDADRP C[NH+]1CC[C@H]1CNc1ncnc2sc(NC[C@@H]3CC[N@H+]3C)nc21 ZINC000895769243 591269135 /nfs/dbraw/zinc/26/91/35/591269135.db2.gz PCLPTWYPQZNBNY-QWRGUYRKSA-N 2 0 333.465 1.318 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895851396 591287920 /nfs/dbraw/zinc/28/79/20/591287920.db2.gz OSRSCCGBOXBBLC-INIZCTEOSA-N 2 0 326.485 1.317 20 0 EDADRP C[NH+](C)CC[C@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1cccnc1 ZINC000895890621 591298319 /nfs/dbraw/zinc/29/83/19/591298319.db2.gz BONHFDWTDKTJNZ-AWEZNQCLSA-N 2 0 338.419 1.744 20 0 EDADRP C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896291543 591416988 /nfs/dbraw/zinc/41/69/88/591416988.db2.gz CPYQCKLIZUGWHR-YJBOKZPZSA-N 2 0 331.460 1.344 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896294054 591417413 /nfs/dbraw/zinc/41/74/13/591417413.db2.gz HJCSQYAHATVLCM-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)(C)OC(=O)NCCN1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000894954661 591499418 /nfs/dbraw/zinc/49/94/18/591499418.db2.gz MDUZBKAKVGBHQK-KDYLLFBJSA-N 2 0 327.469 1.479 20 0 EDADRP COC(=O)[C@H]1[C@@H](C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083902 591574744 /nfs/dbraw/zinc/57/47/44/591574744.db2.gz CJVYBYBWNPQBCK-QKPAOTATSA-N 2 0 338.398 1.976 20 0 EDADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896877109 591643257 /nfs/dbraw/zinc/64/32/57/591643257.db2.gz OAFIGIYQVJGFPO-ABHNRTSZSA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)CC(C)C ZINC000896891290 591655149 /nfs/dbraw/zinc/65/51/49/591655149.db2.gz CWRQVENBNRWDNV-SFHVURJKSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000896898957 591664114 /nfs/dbraw/zinc/66/41/14/591664114.db2.gz RAIYKLLCXLHKJJ-SFHVURJKSA-N 2 0 341.496 1.944 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@]34CC[N@H+](C3)CCC4)CC2)CC1 ZINC000897085236 591733291 /nfs/dbraw/zinc/73/32/91/591733291.db2.gz KBVSRVVQRZFYGU-FQEVSTJZSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H](CC[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000895429249 591753831 /nfs/dbraw/zinc/75/38/31/591753831.db2.gz LTTANAYZQCDXCO-OAHLLOKOSA-N 2 0 342.528 1.905 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1cccc(F)c1 ZINC000895459554 591765210 /nfs/dbraw/zinc/76/52/10/591765210.db2.gz AQUZNDUFZKFQGX-IRXDYDNUSA-N 2 0 335.423 1.265 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000895468902 591769017 /nfs/dbraw/zinc/76/90/17/591769017.db2.gz XGRFEIJKDSMJMN-MOPGFXCFSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN([C@H]2CCC3(C[C@@H]2F)OCCO3)CCO1 ZINC000895473457 591769521 /nfs/dbraw/zinc/76/95/21/591769521.db2.gz NULBJBMUWLVSSG-PMPSAXMXSA-N 2 0 330.444 1.663 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000899976840 591854104 /nfs/dbraw/zinc/85/41/04/591854104.db2.gz GQVQFRZPEDVMNV-UHFFFAOYSA-N 2 0 335.496 1.829 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCc2ccccc2C[NH+](C)C)CC1 ZINC000899989750 591858429 /nfs/dbraw/zinc/85/84/29/591858429.db2.gz AZNKUPQOIWIJAH-UHFFFAOYSA-N 2 0 346.519 1.781 20 0 EDADRP CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000898355887 591887232 /nfs/dbraw/zinc/88/72/32/591887232.db2.gz FEDWIHYFWOKCOI-DZGCQCFKSA-N 2 0 327.469 1.288 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)C1 ZINC000900219599 591946980 /nfs/dbraw/zinc/94/69/80/591946980.db2.gz ZNYZACLSLMFSKW-JFIYKMOQSA-N 2 0 325.497 1.317 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000902331463 591979834 /nfs/dbraw/zinc/97/98/34/591979834.db2.gz AQEOMAPMRYNHLG-CQSZACIVSA-N 2 0 336.480 1.609 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1 ZINC000902358418 591985872 /nfs/dbraw/zinc/98/58/72/591985872.db2.gz BDUSPXHYTLFCQQ-ZDUSSCGKSA-N 2 0 325.478 1.212 20 0 EDADRP C[C@@H]1CN(C)C[C@@H](C(=O)N2C[C@H]3CCC[N@@H+]3Cc3ccccc32)O1 ZINC000902699867 592044705 /nfs/dbraw/zinc/04/47/05/592044705.db2.gz UTNPLUPILCBYAG-KYJSFNMBSA-N 2 0 329.444 1.717 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000902927525 592085487 /nfs/dbraw/zinc/08/54/87/592085487.db2.gz HZZIFTSVOATSOJ-MAUKXSAKSA-N 2 0 345.491 1.961 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCN1C ZINC000900809937 592131669 /nfs/dbraw/zinc/13/16/69/592131669.db2.gz FPEGVTJTIJLPHB-KANFNMMFSA-N 2 0 344.503 1.082 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900825753 592139054 /nfs/dbraw/zinc/13/90/54/592139054.db2.gz BRVWNOLLNTZGPT-QGZVFWFLSA-N 2 0 340.556 1.885 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900900972 592165084 /nfs/dbraw/zinc/16/50/84/592165084.db2.gz NLFXCJFUVSFSCB-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP CC(F)(F)CCC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000903459400 592171666 /nfs/dbraw/zinc/17/16/66/592171666.db2.gz IGIJYXKVYHBOOW-ZIAGYGMSSA-N 2 0 330.423 1.642 20 0 EDADRP COc1ccc(CN2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2=O)cc1 ZINC000903457431 592174093 /nfs/dbraw/zinc/17/40/93/592174093.db2.gz SFQHKNBUGZFNFD-SJORKVTESA-N 2 0 331.460 1.857 20 0 EDADRP C[C@@H]1C[N@H+](CCN(Cc2ccccc2)S(C)(=O)=O)C[C@H]1CC[NH3+] ZINC000903498901 592178921 /nfs/dbraw/zinc/17/89/21/592178921.db2.gz NTIAHHXRMKLALW-NVXWUHKLSA-N 2 0 339.505 1.365 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000900958502 592185295 /nfs/dbraw/zinc/18/52/95/592185295.db2.gz JMRYSIWRWURZFD-ROUUACIJSA-N 2 0 338.540 1.782 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C[C@H]1CC[NH3+] ZINC000903496640 592187535 /nfs/dbraw/zinc/18/75/35/592187535.db2.gz WNGAGTSNQPDYRJ-NVXWUHKLSA-N 2 0 341.459 1.405 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981501 592189117 /nfs/dbraw/zinc/18/91/17/592189117.db2.gz SQVSBNBDZZEZKI-XHSDSOJGSA-N 2 0 325.497 1.865 20 0 EDADRP CCc1cc(=O)[nH]c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903508741 592189353 /nfs/dbraw/zinc/18/93/53/592189353.db2.gz SXZDQPXVARRETB-IYBDPMFKSA-N 2 0 331.464 1.145 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521884 592196689 /nfs/dbraw/zinc/19/66/89/592196689.db2.gz GQNSVQJIEPIXBF-RUENVJTFSA-N 2 0 337.508 1.818 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCCCC2CCOCC2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525200 592197979 /nfs/dbraw/zinc/19/79/79/592197979.db2.gz CXJIHGZOUZFMLX-MJGOQNOKSA-N 2 0 337.508 1.820 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(Cc3nc(-c4cccs4)no3)CC2)C1 ZINC000904335740 592233425 /nfs/dbraw/zinc/23/34/25/592233425.db2.gz AYXZXIZVHJHFQG-BETUJISGSA-N 2 0 333.461 1.653 20 0 EDADRP Cc1nn2c(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)c(C)nc2s1 ZINC000904392675 592243175 /nfs/dbraw/zinc/24/31/75/592243175.db2.gz XCONURNLANSYQT-CYBMUJFWSA-N 2 0 335.477 1.737 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906663055 592245309 /nfs/dbraw/zinc/24/53/09/592245309.db2.gz CMLUICFJCMLMHK-BBRMVZONSA-N 2 0 346.475 1.760 20 0 EDADRP C[C@@]1(CN2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CCC[NH2+]C1 ZINC000904377737 592245450 /nfs/dbraw/zinc/24/54/50/592245450.db2.gz XJWPBKABNOMEQV-HSALFYBXSA-N 2 0 329.488 1.961 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000904382002 592247118 /nfs/dbraw/zinc/24/71/18/592247118.db2.gz ZZRVQLIKRJARCS-INIZCTEOSA-N 2 0 329.847 1.915 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906671890 592253883 /nfs/dbraw/zinc/25/38/83/592253883.db2.gz SWPJNUTVRBWMGE-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]CC3(C)C)c2)CC1 ZINC000904421662 592259209 /nfs/dbraw/zinc/25/92/09/592259209.db2.gz NBOXNUYWJHIKHN-QGZVFWFLSA-N 2 0 345.491 1.948 20 0 EDADRP C[C@@H]1CCCN(C(=O)Nc2ccnn2CC[NH+](C)C)[C@@H]1CCC[NH3+] ZINC000904484372 592270714 /nfs/dbraw/zinc/27/07/14/592270714.db2.gz GKAAUJDZRDTKPT-HUUCEWRRSA-N 2 0 336.484 1.816 20 0 EDADRP Fc1cccc([C@@H]2C[NH2+]CCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747753 592294461 /nfs/dbraw/zinc/29/44/61/592294461.db2.gz WOIACJRKKFHPSR-MSOLQXFVSA-N 2 0 333.451 1.931 20 0 EDADRP CC[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CCOC ZINC000903739912 592302016 /nfs/dbraw/zinc/30/20/16/592302016.db2.gz QJIXXGSSLYBOCS-IRXDYDNUSA-N 2 0 325.497 1.188 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742682 592304065 /nfs/dbraw/zinc/30/40/65/592304065.db2.gz ZIRUANCJNITMPO-JYJNAYRXSA-N 2 0 349.441 1.961 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742698 592304671 /nfs/dbraw/zinc/30/46/71/592304671.db2.gz ZNVMECSWAUGHLW-QZTJIDSGSA-N 3 0 339.524 1.578 20 0 EDADRP Cc1cn(C)nc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000903770229 592310837 /nfs/dbraw/zinc/31/08/37/592310837.db2.gz UHFZHEALRVVTMZ-OAHLLOKOSA-N 2 0 343.479 1.241 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000903793409 592316356 /nfs/dbraw/zinc/31/63/56/592316356.db2.gz SFEUAJZDVRUVBP-GOSISDBHSA-N 2 0 348.487 1.535 20 0 EDADRP Nc1nc(C2CC2)nc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000903823740 592334533 /nfs/dbraw/zinc/33/45/33/592334533.db2.gz JCXLCVRYFJBPGV-UHFFFAOYSA-N 2 0 345.495 1.233 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1 ZINC000906755337 592334563 /nfs/dbraw/zinc/33/45/63/592334563.db2.gz BTAVLOAKTSPIEU-INIZCTEOSA-N 2 0 346.475 1.908 20 0 EDADRP COC(=O)CC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000903898395 592369291 /nfs/dbraw/zinc/36/92/91/592369291.db2.gz LABTWFIAFNPFCH-AWEZNQCLSA-N 2 0 335.452 1.558 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000903918604 592376343 /nfs/dbraw/zinc/37/63/43/592376343.db2.gz COMYHSYKQSMECF-MAUKXSAKSA-N 2 0 326.448 1.179 20 0 EDADRP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000908199539 592377418 /nfs/dbraw/zinc/37/74/18/592377418.db2.gz GIIFNJYKGSPXSC-DLBZAZTESA-N 2 0 342.443 1.572 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000903923407 592378165 /nfs/dbraw/zinc/37/81/65/592378165.db2.gz SVSHAVZWTRARKW-WBVHZDCISA-N 2 0 326.448 1.571 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000903923453 592378303 /nfs/dbraw/zinc/37/83/03/592378303.db2.gz URLUABZGOUXQKX-SJLPKXTDSA-N 2 0 340.475 1.819 20 0 EDADRP C[C@@H](Cn1ncc2ccccc2c1=O)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921507 592378553 /nfs/dbraw/zinc/37/85/53/592378553.db2.gz OSGBMNAINJRXTF-YTTRVJOFSA-N 2 0 326.444 1.905 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903928429 592382124 /nfs/dbraw/zinc/38/21/24/592382124.db2.gz YPYJLJJVXPRFHT-WTXIUTQJSA-N 2 0 339.480 1.743 20 0 EDADRP [NH3+][C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1F ZINC000903930127 592382160 /nfs/dbraw/zinc/38/21/60/592382160.db2.gz SROMKWBECHVPCZ-QANKJYHBSA-N 2 0 344.438 1.268 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](N3CCCC3=O)CC2)cnn1C ZINC000903929230 592382462 /nfs/dbraw/zinc/38/24/62/592382462.db2.gz CKTVRSQQCIRRKA-AEFFLSMTSA-N 2 0 347.507 1.323 20 0 EDADRP COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000903915752 592389427 /nfs/dbraw/zinc/38/94/27/592389427.db2.gz PVVVTVPISHNZSI-QAPCUYQASA-N 2 0 334.460 1.178 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000908236363 592398122 /nfs/dbraw/zinc/39/81/22/592398122.db2.gz IGRLVINFCDHENA-LJQANCHMSA-N 2 0 348.491 1.209 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000908240513 592400986 /nfs/dbraw/zinc/40/09/86/592400986.db2.gz WVFKLRBCFODNBM-KRWDZBQOSA-N 2 0 326.529 1.450 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CCOCc2ccccc2)CC1 ZINC000905109566 592410748 /nfs/dbraw/zinc/41/07/48/592410748.db2.gz IGWFJMPVILCOFC-IBGZPJMESA-N 2 0 349.519 1.570 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2)CC1 ZINC000905110927 592412074 /nfs/dbraw/zinc/41/20/74/592412074.db2.gz SQBHMXTXYUIOQG-FUHWJXTLSA-N 2 0 339.524 1.048 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905154782 592423876 /nfs/dbraw/zinc/42/38/76/592423876.db2.gz QCEOQYCLPZJMLT-QGZVFWFLSA-N 2 0 328.497 1.237 20 0 EDADRP CSC1(CNC(=O)c2ccnn2CC[NH+](C)C)CC[NH+](C)CC1 ZINC000908285413 592424965 /nfs/dbraw/zinc/42/49/65/592424965.db2.gz JMEOUIDCOXJLCD-UHFFFAOYSA-N 2 0 339.509 1.002 20 0 EDADRP [NH3+]CCCn1ccc(-c2nc([C@@H]3CN4CCCC[C@H]4CO3)no2)n1 ZINC000904099178 592425091 /nfs/dbraw/zinc/42/50/91/592425091.db2.gz LPQXCEYYUBUMKZ-JSGCOSHPSA-N 2 0 332.408 1.208 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCOC[C@H]3C)CC2)C1 ZINC000908313640 592429063 /nfs/dbraw/zinc/42/90/63/592429063.db2.gz AFXOKRBUBPTEQO-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000905140230 592433898 /nfs/dbraw/zinc/43/38/98/592433898.db2.gz UBZUAEUUUDPIIT-NBOOPKSLSA-N 2 0 326.481 1.933 20 0 EDADRP COC[C@H]1C[NH2+]CCN1C(=O)Nc1cc(C[NH+](C)C)ccc1OC ZINC000904293215 592466964 /nfs/dbraw/zinc/46/69/64/592466964.db2.gz XHOYQWJJFGOTRM-CQSZACIVSA-N 2 0 336.436 1.209 20 0 EDADRP C[C@]1(C[NH2+]C[C@H](O)C2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905243989 592474651 /nfs/dbraw/zinc/47/46/51/592474651.db2.gz NYPWUBKCHDTZCX-RBUKOAKNSA-N 2 0 348.487 1.391 20 0 EDADRP c1c(-c2nc(CC3CC[NH2+]CC3)no2)nnn1[C@@H]1CCC[NH2+]CC1 ZINC000905308581 592500282 /nfs/dbraw/zinc/50/02/82/592500282.db2.gz MVQMCMMLGODJIN-CYBMUJFWSA-N 2 0 331.424 1.185 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000905345699 592501415 /nfs/dbraw/zinc/50/14/15/592501415.db2.gz LMSPBKVQWZTRIT-IAGOWNOFSA-N 2 0 337.489 1.051 20 0 EDADRP C[NH+]1CCC2(CCC(NC(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000908491582 592508433 /nfs/dbraw/zinc/50/84/33/592508433.db2.gz WRARKCJKVFHEIX-UHFFFAOYSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907090033 592516061 /nfs/dbraw/zinc/51/60/61/592516061.db2.gz HOQRCPVFCOSGKP-ZACQAIPSSA-N 2 0 337.508 1.961 20 0 EDADRP C[NH+]1CCC2(CCC(NC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000908489567 592516225 /nfs/dbraw/zinc/51/62/25/592516225.db2.gz GFSOEVSEPFXSRD-SJORKVTESA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000908597017 592548467 /nfs/dbraw/zinc/54/84/67/592548467.db2.gz DYHMLGMMAZBYBC-INIZCTEOSA-N 2 0 325.497 1.602 20 0 EDADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](C)C(C)(C)C1 ZINC000908829907 592635278 /nfs/dbraw/zinc/63/52/78/592635278.db2.gz PPIIPQDXSXMODS-CABCVRRESA-N 2 0 348.495 1.364 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000907589339 592723469 /nfs/dbraw/zinc/72/34/69/592723469.db2.gz TWHDDZQUSGMWQZ-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862455 592819560 /nfs/dbraw/zinc/81/95/60/592819560.db2.gz VSRHIDZVXGUWDX-SFHVURJKSA-N 2 0 344.503 1.118 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906450460 592824453 /nfs/dbraw/zinc/82/44/53/592824453.db2.gz DGXFTNMWZRZMJH-NUJGCVRESA-N 2 0 336.524 1.344 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000906591723 592853359 /nfs/dbraw/zinc/85/33/59/592853359.db2.gz FQBIHEISQXQNFP-KRWDZBQOSA-N 2 0 333.480 1.186 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000906658323 592865260 /nfs/dbraw/zinc/86/52/60/592865260.db2.gz XQXHRXHNRGAFII-WFASDCNBSA-N 2 0 332.448 1.227 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@@H]2[NH+]2CCCC2)C1 ZINC000911569405 592950909 /nfs/dbraw/zinc/95/09/09/592950909.db2.gz RZYYZCIEVPQPLJ-FHWLQOOXSA-N 2 0 343.471 1.585 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@H]2[NH2+]1)c1ccccc1 ZINC000911633608 592971006 /nfs/dbraw/zinc/97/10/06/592971006.db2.gz SKUOHWKKXZOEGM-XMTFNYHQSA-N 2 0 331.460 1.705 20 0 EDADRP C[NH2+]CCCCC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000911736354 592992810 /nfs/dbraw/zinc/99/28/10/592992810.db2.gz RUHYNTJFOJNDKL-UHFFFAOYSA-N 2 0 333.432 1.924 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC1 ZINC000911761917 593006688 /nfs/dbraw/zinc/00/66/88/593006688.db2.gz VBCVWUHZEZQQIB-GXFFZTMASA-N 2 0 343.393 1.950 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911820130 593016683 /nfs/dbraw/zinc/01/66/83/593016683.db2.gz CHXCXIIAYPKCSO-NTZNESFSSA-N 2 0 343.393 1.950 20 0 EDADRP C[C@@]1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380473 593089419 /nfs/dbraw/zinc/08/94/19/593089419.db2.gz UAGRKYCXZHKTPS-YLJYHZDGSA-N 2 0 342.487 1.894 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000808156146 593229949 /nfs/dbraw/zinc/22/99/49/593229949.db2.gz BCEZKOOFBNCTAS-RBUKOAKNSA-N 2 0 345.487 1.810 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@@H](C)C1 ZINC000839175491 593271130 /nfs/dbraw/zinc/27/11/30/593271130.db2.gz QDQINDFYXYPDLO-JYJNAYRXSA-N 2 0 326.481 1.722 20 0 EDADRP Cc1ccc(N2CC[C@@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C2=O)cc1 ZINC000808781471 593287502 /nfs/dbraw/zinc/28/75/02/593287502.db2.gz HWYQFJYPISHQOJ-LJQANCHMSA-N 2 0 346.519 1.916 20 0 EDADRP CN(CCC[N@H+](C)Cc1cc(=O)oc2cc(O)ccc12)CC[NH+](C)C ZINC000808781974 593288011 /nfs/dbraw/zinc/28/80/11/593288011.db2.gz ZTTNHKFGKWHMPX-UHFFFAOYSA-N 2 0 347.459 1.814 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CCN(Cc2cccnc2)C1=O ZINC000839992848 593304340 /nfs/dbraw/zinc/30/43/40/593304340.db2.gz YKSCPYRPWQPRLE-UHFFFAOYSA-N 2 0 331.464 1.550 20 0 EDADRP CC(C)[C@@H]1N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C(=O)[C@]12CCCO2 ZINC000840025453 593387908 /nfs/dbraw/zinc/38/79/08/593387908.db2.gz CGYXEJFWDDQQFZ-ZMMAXQRCSA-N 2 0 335.492 1.776 20 0 EDADRP CC[C@]1(C2CC2)NC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000758236727 593397619 /nfs/dbraw/zinc/39/76/19/593397619.db2.gz FVFVFPSIUBNWBA-DDUZABMNSA-N 2 0 334.464 1.471 20 0 EDADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817964697 593652292 /nfs/dbraw/zinc/65/22/92/593652292.db2.gz FGJMTFHOCOOYSE-YOEHRIQHSA-N 2 0 333.432 1.222 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818940939 593729161 /nfs/dbraw/zinc/72/91/61/593729161.db2.gz LCOFJHLJEGUCSR-OAHLLOKOSA-N 2 0 329.485 1.725 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000818963134 593730778 /nfs/dbraw/zinc/73/07/78/593730778.db2.gz HUALFKJGRHJJBI-ZNMIVQPWSA-N 2 0 327.469 1.479 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC[S@](=O)C(C)(C)C ZINC000819057127 593736305 /nfs/dbraw/zinc/73/63/05/593736305.db2.gz RRJHHMVVVWJYNL-ZHRRBRCNSA-N 2 0 326.506 1.616 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000819061273 593736553 /nfs/dbraw/zinc/73/65/53/593736553.db2.gz KJLKPIGWTWDZCT-ZWKOTPCHSA-N 2 0 341.446 1.860 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1(F)F ZINC000820856086 593907033 /nfs/dbraw/zinc/90/70/33/593907033.db2.gz IVSUDLLYXSTVIA-KGLIPLIRSA-N 2 0 332.391 1.085 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000822998139 594133979 /nfs/dbraw/zinc/13/39/79/594133979.db2.gz FNTJXKZYAOPPLZ-INIZCTEOSA-N 2 0 349.475 1.842 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC000825851316 594262302 /nfs/dbraw/zinc/26/23/02/594262302.db2.gz WDRPNXVTWOIOIG-BRWVUGGUSA-N 2 0 342.447 1.550 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956267 594537288 /nfs/dbraw/zinc/53/72/88/594537288.db2.gz LFDBPAIRTLJMNQ-UONOGXRCSA-N 2 0 340.855 1.270 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000827166113 594649831 /nfs/dbraw/zinc/64/98/31/594649831.db2.gz MFCBLTJZMCJIGI-BBWFWOEESA-N 2 0 340.512 1.469 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)CC[C@H]21 ZINC000827340350 594662679 /nfs/dbraw/zinc/66/26/79/594662679.db2.gz ZJCPETOCEFRRJD-CEXWTWQISA-N 2 0 342.487 1.846 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000831510125 594679812 /nfs/dbraw/zinc/67/98/12/594679812.db2.gz IICKJMLUPUFKPN-KRWDZBQOSA-N 2 0 332.448 1.144 20 0 EDADRP Cc1ccc(N2CCC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000841003077 594837649 /nfs/dbraw/zinc/83/76/49/594837649.db2.gz MHSWFRSAUDTERM-GOSISDBHSA-N 2 0 344.503 1.704 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000841017583 594839891 /nfs/dbraw/zinc/83/98/91/594839891.db2.gz GBJUXCTVCOOJRV-QGZVFWFLSA-N 2 0 331.464 1.687 20 0 EDADRP CCCOC(=O)c1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000841040899 594843245 /nfs/dbraw/zinc/84/32/45/594843245.db2.gz BZBWKEOZRXZGBX-OAHLLOKOSA-N 2 0 334.420 1.360 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000841310355 594883764 /nfs/dbraw/zinc/88/37/64/594883764.db2.gz NXCXRERCIIZBIA-SJORKVTESA-N 2 0 332.448 1.781 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000841791463 594953983 /nfs/dbraw/zinc/95/39/83/594953983.db2.gz XJRWMCDHQMJJRY-BRWVUGGUSA-N 2 0 336.480 1.023 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)C1CC1 ZINC000841847054 594964256 /nfs/dbraw/zinc/96/42/56/594964256.db2.gz QQPWPICFQZGSOE-UKRRQHHQSA-N 2 0 331.416 1.661 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000841926750 594983232 /nfs/dbraw/zinc/98/32/32/594983232.db2.gz DWTCFHMQLSONPH-QZTJIDSGSA-N 2 0 330.476 1.719 20 0 EDADRP CC[C@H](C)C[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1=O ZINC000843310149 595070311 /nfs/dbraw/zinc/07/03/11/595070311.db2.gz IFXHFECEGHRUEZ-IMJJTQAJSA-N 2 0 336.480 1.512 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)/C=C\c1cccc(Cl)c1 ZINC000842480783 595116945 /nfs/dbraw/zinc/11/69/45/595116945.db2.gz CUAIUGPCEOXPLR-WDZFZDKYSA-N 2 0 331.869 1.640 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000843459878 595118383 /nfs/dbraw/zinc/11/83/83/595118383.db2.gz RUQGTANMCPIHRZ-QGZVFWFLSA-N 2 0 325.416 1.633 20 0 EDADRP CN(C(=O)CN1CC[NH+](CCCCCC[NH3+])CC1)C1CCCCC1 ZINC000846221182 595177575 /nfs/dbraw/zinc/17/75/75/595177575.db2.gz HXQAXCYJMNTNAZ-UHFFFAOYSA-N 2 0 338.540 1.914 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@@H](C)C1 ZINC000843800806 595189884 /nfs/dbraw/zinc/18/98/84/595189884.db2.gz WRIPXUPYIYVSCV-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH2+]CC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000844181818 595294489 /nfs/dbraw/zinc/29/44/89/595294489.db2.gz YOPCYOSAVSBCTQ-UHFFFAOYSA-N 2 0 349.475 1.402 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000844191740 595298451 /nfs/dbraw/zinc/29/84/51/595298451.db2.gz RHOGPMTXJIMFEN-ZDUSSCGKSA-N 2 0 338.402 1.622 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC[NH2+]C4CC4)n3)cn2)CC1 ZINC000848624664 595418690 /nfs/dbraw/zinc/41/86/90/595418690.db2.gz CSUSQPIZDWMACO-UHFFFAOYSA-N 2 0 342.447 1.568 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000848717440 595435535 /nfs/dbraw/zinc/43/55/35/595435535.db2.gz BVFQTFIDVYWLNL-MWLCHTKSSA-N 2 0 329.388 1.160 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848893092 595464364 /nfs/dbraw/zinc/46/43/64/595464364.db2.gz PGAYQDWANCMZFN-ZPIQOJFGSA-N 2 0 335.448 1.581 20 0 EDADRP Cc1nccn1CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073837 595478355 /nfs/dbraw/zinc/47/83/55/595478355.db2.gz HQWLSLKKNBXHJH-UHFFFAOYSA-N 2 0 340.475 1.970 20 0 EDADRP [NH2+]=C(NCC(F)(F)CO)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849087759 595479755 /nfs/dbraw/zinc/47/97/55/595479755.db2.gz NFZDCILCPOFQMN-UHFFFAOYSA-N 2 0 326.391 1.393 20 0 EDADRP COC/C(C)=C\C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000845353369 595483252 /nfs/dbraw/zinc/48/32/52/595483252.db2.gz GJDITEUAIMDJOK-PEZBUJJGSA-N 2 0 332.448 1.303 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849489035 595549410 /nfs/dbraw/zinc/54/94/10/595549410.db2.gz QPTYNXLJVMQPDK-ROUUACIJSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849497055 595551492 /nfs/dbraw/zinc/55/14/92/595551492.db2.gz CTOVXMUWUDNCEQ-NJAFHUGGSA-N 2 0 347.507 1.446 20 0 EDADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C1CC1 ZINC000849520690 595556507 /nfs/dbraw/zinc/55/65/07/595556507.db2.gz OFYANHACQCBSHM-IAGOWNOFSA-N 2 0 333.480 1.056 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)=NO1 ZINC000852862911 595583825 /nfs/dbraw/zinc/58/38/25/595583825.db2.gz MWPICBIWFMMJSR-INIZCTEOSA-N 2 0 330.432 1.118 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852865757 595586019 /nfs/dbraw/zinc/58/60/19/595586019.db2.gz OCSXWCQVGPCFJB-VNQPRFMTSA-N 2 0 330.432 1.259 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCCCC[NH+](C)C2CC2)cn1 ZINC000849600229 595588982 /nfs/dbraw/zinc/58/89/82/595588982.db2.gz GMKDMCXHNGNZEK-MSOLQXFVSA-N 2 0 347.507 1.446 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852871953 595591209 /nfs/dbraw/zinc/59/12/09/595591209.db2.gz FZAFAXQOMWJTCN-IAGOWNOFSA-N 2 0 344.459 1.461 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000852873200 595592445 /nfs/dbraw/zinc/59/24/45/595592445.db2.gz QNRYFOWRFUKQGJ-DLBZAZTESA-N 2 0 332.448 1.131 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)=NO1 ZINC000852895483 595603876 /nfs/dbraw/zinc/60/38/76/595603876.db2.gz CPPOOISFQNALNS-AWEZNQCLSA-N 2 0 348.472 1.917 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000852906755 595609196 /nfs/dbraw/zinc/60/91/96/595609196.db2.gz QRFARXUPDZMVKC-BZSNNMDCSA-N 2 0 347.459 1.026 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@H](O)c2ccccn2)c1 ZINC000853097651 595663330 /nfs/dbraw/zinc/66/33/30/595663330.db2.gz GSNLCKJKCNUNID-SFHVURJKSA-N 2 0 342.443 1.196 20 0 EDADRP CCOC(=O)N1CCC([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000850353741 595816001 /nfs/dbraw/zinc/81/60/01/595816001.db2.gz LJEMLZLWMIHRAG-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP CCOC(=O)NC1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000850460659 595838299 /nfs/dbraw/zinc/83/82/99/595838299.db2.gz ATKXXIVLQUANJO-GTPINHCMSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+]CCCCCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000851667707 595876657 /nfs/dbraw/zinc/87/66/57/595876657.db2.gz QZYYIVQSFTYILY-UHFFFAOYSA-N 2 0 340.512 1.696 20 0 EDADRP Cn1ccnc1[C@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000851868817 595954611 /nfs/dbraw/zinc/95/46/11/595954611.db2.gz VOGRCSIJRAYHFI-JTQLQIEISA-N 2 0 325.214 1.264 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)Cc2cc(=O)n3nccc3[nH]2)cc1 ZINC000859212309 596005604 /nfs/dbraw/zinc/00/56/04/596005604.db2.gz MQHPYKKHRGLRQH-UHFFFAOYSA-N 2 0 325.416 1.716 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854223176 596006462 /nfs/dbraw/zinc/00/64/62/596006462.db2.gz PLONCXCSWYNWIX-SECBINFHSA-N 2 0 339.383 1.476 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000861539655 596020360 /nfs/dbraw/zinc/02/03/60/596020360.db2.gz OXCZCQDVTWLEQO-LSDHHAIUSA-N 2 0 346.475 1.663 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(OC)OC)C2)ccn1 ZINC000856583831 596020877 /nfs/dbraw/zinc/02/08/77/596020877.db2.gz APAPRBOHWGFQSP-QGZVFWFLSA-N 2 0 337.464 1.995 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000854334911 596039868 /nfs/dbraw/zinc/03/98/68/596039868.db2.gz URHRSOIMBXWRHY-RDJZCZTQSA-N 2 0 339.524 1.658 20 0 EDADRP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861712663 596077466 /nfs/dbraw/zinc/07/74/66/596077466.db2.gz RJEZXBZNIPHRNM-KBAYOESNSA-N 2 0 335.492 1.309 20 0 EDADRP O=C1OCCN1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000852721856 596232846 /nfs/dbraw/zinc/23/28/46/596232846.db2.gz KZJMKZDHWJGYOO-UHFFFAOYSA-N 2 0 327.388 1.684 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866710969 596304475 /nfs/dbraw/zinc/30/44/75/596304475.db2.gz YLVLQPGCEJFKNN-JJTUDDRGSA-N 2 0 337.464 1.449 20 0 EDADRP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714810 596306995 /nfs/dbraw/zinc/30/69/95/596306995.db2.gz XYPRTONFYVDLNU-LZWOXQAQSA-N 2 0 341.415 1.010 20 0 EDADRP C(CCC[N@@H+]1CCC2(C1)OCCO2)CC[NH+]1CCC2(C1)OCCO2 ZINC000118942911 596330599 /nfs/dbraw/zinc/33/05/99/596330599.db2.gz VUCIACBMCMSSPA-UHFFFAOYSA-N 2 0 340.464 1.444 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870866012 596382481 /nfs/dbraw/zinc/38/24/81/596382481.db2.gz PYXHLOFDKTXCPZ-UHFFFAOYSA-N 2 0 340.493 1.308 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000870885271 596389834 /nfs/dbraw/zinc/38/98/34/596389834.db2.gz SLXLNWOBGVVYLV-HDMKZQKVSA-N 2 0 337.533 1.982 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000870947923 596415600 /nfs/dbraw/zinc/41/56/00/596415600.db2.gz LOPKRQRDTTVHEK-HDICACEKSA-N 3 0 344.503 1.614 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000870956562 596417837 /nfs/dbraw/zinc/41/78/37/596417837.db2.gz XXYRIDUMZURUPI-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C2CCC(CNC(C)=O)CC2)CC1 ZINC000865444013 596576750 /nfs/dbraw/zinc/57/67/50/596576750.db2.gz QXZBMWCOWDKXOM-UHFFFAOYSA-N 2 0 325.497 1.772 20 0 EDADRP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)C1CCCCC1 ZINC000869778912 596630124 /nfs/dbraw/zinc/63/01/24/596630124.db2.gz RIARNSOKUYPCGX-HNNXBMFYSA-N 2 0 325.497 1.602 20 0 EDADRP C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCCO1 ZINC000870016964 596708773 /nfs/dbraw/zinc/70/87/73/596708773.db2.gz CPCZLVOLMLSBGD-YLFCFFPRSA-N 2 0 325.497 1.389 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2-c2ccco2)C[C@H]1C[NH+](C)C ZINC000870016716 596708845 /nfs/dbraw/zinc/70/88/45/596708845.db2.gz WJAZBZXAFLFLGM-ZIAGYGMSSA-N 2 0 345.447 1.481 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\COc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870018120 596710148 /nfs/dbraw/zinc/71/01/48/596710148.db2.gz MSRBYWVOZLDJRO-GCGULEOZSA-N 2 0 345.487 1.819 20 0 EDADRP Cn1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2c1CCCC2 ZINC000870018371 596710366 /nfs/dbraw/zinc/71/03/66/596710366.db2.gz ZDYHMEWVRAPHBP-HUUCEWRRSA-N 2 0 347.507 1.110 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2O)C[C@H]1C[NH+](C)C ZINC000870018767 596710676 /nfs/dbraw/zinc/71/06/76/596710676.db2.gz GVIWUQRTOCRWRN-VQHPVUNQSA-N 2 0 325.497 1.125 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CSCCS2)C[C@H]1C[NH+](C)C ZINC000870020102 596711546 /nfs/dbraw/zinc/71/15/46/596711546.db2.gz CPRJYRLOCOQOIK-KFWWJZLASA-N 2 0 345.578 1.423 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2F)C[C@H]1C[NH+](C)C ZINC000870024012 596713731 /nfs/dbraw/zinc/71/37/31/596713731.db2.gz GMSJBOIKFSQDNX-IAGOWNOFSA-N 2 0 335.467 1.956 20 0 EDADRP CC(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870023879 596713921 /nfs/dbraw/zinc/71/39/21/596713921.db2.gz FBZLVAGNXGZRLO-ZIAGYGMSSA-N 2 0 337.489 1.762 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(F)cc2F)C[C@H]1C[NH+](C)C ZINC000870025006 596714577 /nfs/dbraw/zinc/71/45/77/596714577.db2.gz KTSCPRNHHYKRAY-CHWSQXEVSA-N 2 0 325.403 1.776 20 0 EDADRP COc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1O ZINC000870025494 596714716 /nfs/dbraw/zinc/71/47/16/596714716.db2.gz UXIGNZUGJJRYLU-HZPDHXFCSA-N 2 0 349.475 1.141 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1)C(C)C ZINC000868218306 596730487 /nfs/dbraw/zinc/73/04/87/596730487.db2.gz DHRHVSJHILDZHR-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228749 596736037 /nfs/dbraw/zinc/73/60/37/596736037.db2.gz KAKODPSBZWADNS-YESZJQIVSA-N 2 0 346.475 1.532 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1=CC[N@H+](C)CC1 ZINC000868239681 596741009 /nfs/dbraw/zinc/74/10/09/596741009.db2.gz XDMHYWHODWCPIE-OAUYIBNBSA-N 2 0 342.443 1.206 20 0 EDADRP Cn1c2cc(F)ccc2nc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010469 596756971 /nfs/dbraw/zinc/75/69/71/596756971.db2.gz JOUXITNOAXELEC-ZIAGYGMSSA-N 2 0 333.455 1.888 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000868290040 596768991 /nfs/dbraw/zinc/76/89/91/596768991.db2.gz VQZAXAAKQHFHSA-UHFFFAOYSA-N 2 0 344.459 1.212 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000868335471 596789838 /nfs/dbraw/zinc/78/98/38/596789838.db2.gz DHNLPYXFEVYPDT-WMZOPIPTSA-N 2 0 348.466 1.993 20 0 EDADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144800 596809844 /nfs/dbraw/zinc/80/98/44/596809844.db2.gz HTXULTPLJRKNAS-QZTJIDSGSA-N 2 0 338.492 1.663 20 0 EDADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)c1 ZINC000866411275 596879339 /nfs/dbraw/zinc/87/93/39/596879339.db2.gz IAJWDZJZVJKJSV-ZBFHGGJFSA-N 2 0 349.475 1.847 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000875582652 596905307 /nfs/dbraw/zinc/90/53/07/596905307.db2.gz RTLYVVDSUPJORM-INIZCTEOSA-N 2 0 332.492 1.899 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875591821 596908525 /nfs/dbraw/zinc/90/85/25/596908525.db2.gz ACDYDQABJKDPDU-CABCVRRESA-N 2 0 328.501 1.251 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2nccn21 ZINC000875644509 596931316 /nfs/dbraw/zinc/93/13/16/596931316.db2.gz GFHLZBSBZMILMT-ZJIFWQFVSA-N 2 0 348.495 1.270 20 0 EDADRP C[C@@H]1C[C@@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)O1 ZINC000875667172 596939645 /nfs/dbraw/zinc/93/96/45/596939645.db2.gz JYPJXMNNAXEBQT-NQNKBUKLSA-N 2 0 340.512 1.181 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000876208598 597137511 /nfs/dbraw/zinc/13/75/11/597137511.db2.gz RJCQIDBJIPUJIJ-GOSISDBHSA-N 2 0 347.507 1.308 20 0 EDADRP [NH3+][C@H](C(=O)NCCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000876503059 597223729 /nfs/dbraw/zinc/22/37/29/597223729.db2.gz XWCXCQWQOGACAO-AWEZNQCLSA-N 2 0 344.381 1.117 20 0 EDADRP O=C(CCC1C[NH2+]C1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876519364 597227970 /nfs/dbraw/zinc/22/79/70/597227970.db2.gz XQNBSSHOCUOSLP-UHFFFAOYSA-N 2 0 331.416 1.534 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cccc(OCC[NH3+])c1 ZINC000876523952 597230157 /nfs/dbraw/zinc/23/01/57/597230157.db2.gz IDZOTJYCOIKHPA-OAHLLOKOSA-N 2 0 343.431 1.706 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)C(C)(C)n1cncn1 ZINC000873242781 597237347 /nfs/dbraw/zinc/23/73/47/597237347.db2.gz DPOKRAJOENSNAK-ZDUSSCGKSA-N 2 0 340.435 1.231 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000874998453 597237571 /nfs/dbraw/zinc/23/75/71/597237571.db2.gz DNZUSGZQVCMQSD-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873255791 597241177 /nfs/dbraw/zinc/24/11/77/597241177.db2.gz IAHSDEJRDTZHLJ-LEUOFYLZSA-N 2 0 347.459 1.739 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875144585 597301949 /nfs/dbraw/zinc/30/19/49/597301949.db2.gz RSMLSXAIQIBAJL-OAGGEKHMSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876719152 597303434 /nfs/dbraw/zinc/30/34/34/597303434.db2.gz DQPBHUJDDAWCPZ-YJBOKZPZSA-N 2 0 332.492 1.566 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000876723654 597306714 /nfs/dbraw/zinc/30/67/14/597306714.db2.gz WJCMWNXALORVFC-HZPDHXFCSA-N 2 0 333.480 1.720 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCC(C)CC1 ZINC000875171292 597312955 /nfs/dbraw/zinc/31/29/55/597312955.db2.gz QHZLFWRBYMHUEJ-CVEARBPZSA-N 2 0 340.512 1.251 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876740514 597316389 /nfs/dbraw/zinc/31/63/89/597316389.db2.gz OLONJJFLSQTBSV-WBMJQRKESA-N 2 0 336.411 1.463 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876742323 597317189 /nfs/dbraw/zinc/31/71/89/597317189.db2.gz XFFBXJOZVFYMIJ-RCCFBDPRSA-N 2 0 333.451 1.615 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000876744182 597318141 /nfs/dbraw/zinc/31/81/41/597318141.db2.gz RYACLMQZICFXCT-SFHVURJKSA-N 2 0 332.492 1.568 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000876756176 597324578 /nfs/dbraw/zinc/32/45/78/597324578.db2.gz PUYYTNDMTSSBER-INIZCTEOSA-N 2 0 333.480 1.720 20 0 EDADRP CN1CCC(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876784826 597339695 /nfs/dbraw/zinc/33/96/95/597339695.db2.gz LFTWSNQEIBRGBO-DVBCCOPCSA-N 2 0 348.535 1.609 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841366 597355638 /nfs/dbraw/zinc/35/56/38/597355638.db2.gz QFDDOMFUOFFDML-QGZVFWFLSA-N 2 0 334.489 1.826 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876862522 597361635 /nfs/dbraw/zinc/36/16/35/597361635.db2.gz PUJUMZBAAWSQSA-WTTBNOFXSA-N 2 0 337.414 1.583 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000877004978 597409715 /nfs/dbraw/zinc/40/97/15/597409715.db2.gz OMNCMHKGENQEDB-STQMWFEESA-N 2 0 338.249 1.850 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877062731 597424656 /nfs/dbraw/zinc/42/46/56/597424656.db2.gz BUJFAWJAQMSVES-UHFFFAOYSA-N 2 0 325.478 1.546 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000877133113 597439738 /nfs/dbraw/zinc/43/97/38/597439738.db2.gz XGFXUMMCXJXSKL-AEFFLSMTSA-N 2 0 339.524 1.829 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCOCC[NH+](C)C ZINC000875524582 597464388 /nfs/dbraw/zinc/46/43/88/597464388.db2.gz YVUZRMZBLDTDGD-UHFFFAOYSA-N 2 0 342.528 1.574 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000877244648 597477161 /nfs/dbraw/zinc/47/71/61/597477161.db2.gz IJKHHBFSPRYIDS-MLYOOKFZSA-N 2 0 343.471 1.379 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000877244647 597477298 /nfs/dbraw/zinc/47/72/98/597477298.db2.gz IJKHHBFSPRYIDS-JPLJXNOCSA-N 2 0 343.471 1.379 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386002 597507171 /nfs/dbraw/zinc/50/71/71/597507171.db2.gz SAMSBVVBZNZBIT-GUYCJALGSA-N 2 0 334.489 1.933 20 0 EDADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCCOC1 ZINC000877445216 597516690 /nfs/dbraw/zinc/51/66/90/597516690.db2.gz RUMYGWPPMXYEJL-HHXXYDBFSA-N 2 0 337.508 1.888 20 0 EDADRP COC(=O)c1csc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877670848 597546528 /nfs/dbraw/zinc/54/65/28/597546528.db2.gz QGGNADPZIJJNKJ-HUUCEWRRSA-N 2 0 339.505 1.706 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cn(-c3ccccc3)nn2)C[C@H]1C[NH+](C)C ZINC000877669596 597546603 /nfs/dbraw/zinc/54/66/03/597546603.db2.gz PXDRWOALUMCKGC-IAGOWNOFSA-N 2 0 342.491 1.439 20 0 EDADRP COCCOc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747614 597552857 /nfs/dbraw/zinc/55/28/57/597552857.db2.gz UHYXGXSTBXNOCU-UHFFFAOYSA-N 2 0 347.503 1.924 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879591263 597648369 /nfs/dbraw/zinc/64/83/69/597648369.db2.gz LJRKOOGRNDAGDD-LJQANCHMSA-N 2 0 347.503 1.447 20 0 EDADRP CN(C(=O)CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1)c1ccccc1 ZINC000879593943 597649900 /nfs/dbraw/zinc/64/99/00/597649900.db2.gz SCSBYUXIOOSZJL-UHFFFAOYSA-N 2 0 344.503 1.751 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000878619147 597657059 /nfs/dbraw/zinc/65/70/59/597657059.db2.gz KWWUZAUABISFKX-INIZCTEOSA-N 2 0 339.867 1.564 20 0 EDADRP COC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883170341 597676195 /nfs/dbraw/zinc/67/61/95/597676195.db2.gz RGMHOMLSZUBARN-BZSNNMDCSA-N 2 0 327.513 1.290 20 0 EDADRP C[C@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000878711983 597687401 /nfs/dbraw/zinc/68/74/01/597687401.db2.gz OZQFWMPNAWVORD-KRWDZBQOSA-N 2 0 344.503 1.403 20 0 EDADRP CC(C)CNC(=O)NC(=O)C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879701831 597694387 /nfs/dbraw/zinc/69/43/87/597694387.db2.gz CBHPWVMZMGVDNE-UHFFFAOYSA-N 2 0 340.512 1.768 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000131781613 597740568 /nfs/dbraw/zinc/74/05/68/597740568.db2.gz PAOYBYQUTGEMCN-UHFFFAOYSA-N 2 0 333.432 1.922 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586045 597814351 /nfs/dbraw/zinc/81/43/51/597814351.db2.gz DILRWHYPDYETHQ-MAUKXSAKSA-N 2 0 343.475 1.784 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2cccc(OCC[NH3+])c2)c1 ZINC000884024749 597971048 /nfs/dbraw/zinc/97/10/48/597971048.db2.gz AXDJIIKXDIBFGV-UHFFFAOYSA-N 2 0 329.400 1.875 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192644 598022195 /nfs/dbraw/zinc/02/21/95/598022195.db2.gz KPTWWAKDJZEFFA-FZMZJTMJSA-N 2 0 340.265 1.907 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000884206264 598028640 /nfs/dbraw/zinc/02/86/40/598028640.db2.gz QJQYVVSSVGVGJS-UHFFFAOYSA-N 2 0 331.420 1.295 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000884309541 598061982 /nfs/dbraw/zinc/06/19/82/598061982.db2.gz XWNSAOLJXXEZFO-SFHVURJKSA-N 2 0 333.476 1.517 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884325492 598068013 /nfs/dbraw/zinc/06/80/13/598068013.db2.gz RUZPDSDUNNXUNM-WMLDXEAASA-N 2 0 330.476 1.969 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)[C@H]([NH3+])CCOC)[C@@H](C)C1 ZINC000884326996 598068382 /nfs/dbraw/zinc/06/83/82/598068382.db2.gz GPTRHGAASCRZLI-DOTOQJQBSA-N 2 0 349.475 1.482 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCc1ccccc1C[NH2+]C ZINC000884384376 598088056 /nfs/dbraw/zinc/08/80/56/598088056.db2.gz KZIGOACZIAXYHO-UHFFFAOYSA-N 2 0 327.428 1.934 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1ccc2oc(=O)oc2c1)N1CC[NH+](C)CC1 ZINC000882886973 598096000 /nfs/dbraw/zinc/09/60/00/598096000.db2.gz USBWNHSWYKVDGV-HNNXBMFYSA-N 2 0 333.432 1.748 20 0 EDADRP CCOC(=O)N(C)CCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884462828 598112101 /nfs/dbraw/zinc/11/21/01/598112101.db2.gz QAWSGRUSMXIPNE-UHFFFAOYSA-N 2 0 349.435 1.298 20 0 EDADRP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2CC)ncc1OC ZINC000882960929 598117444 /nfs/dbraw/zinc/11/74/44/598117444.db2.gz ZJFGRTZWQORAAR-ZIAGYGMSSA-N 2 0 334.468 1.497 20 0 EDADRP O=C(NCCCNc1ccccn1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914153382 695162055 /nfs/dbraw/zinc/16/20/55/695162055.db2.gz ZLBLXJHOUIINHB-MRXNPFEDSA-N 2 0 347.463 1.436 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@@H]21 ZINC000992748329 695269919 /nfs/dbraw/zinc/26/99/19/695269919.db2.gz LSGUXICTRGBYLI-YESZJQIVSA-N 2 0 337.508 1.581 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017795 699998675 /nfs/dbraw/zinc/99/86/75/699998675.db2.gz WZEJLULCVZBNPX-UONOGXRCSA-N 2 0 349.504 1.541 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992902529 695439746 /nfs/dbraw/zinc/43/97/46/695439746.db2.gz ADUYXYYFTCBOLO-RYQLBKOJSA-N 2 0 345.491 1.233 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)C2 ZINC000915154014 695752730 /nfs/dbraw/zinc/75/27/30/695752730.db2.gz RJNFBRNIZAQYMB-MAPUTHEBSA-N 2 0 340.512 1.106 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1([NH+](C)C)CC1 ZINC000915361869 695801741 /nfs/dbraw/zinc/80/17/41/695801741.db2.gz XKMYBRLPBORZMC-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CCCF ZINC000993371576 696019691 /nfs/dbraw/zinc/01/96/91/696019691.db2.gz ZYHLLOWRNUUBOT-HUUCEWRRSA-N 2 0 339.459 1.387 20 0 EDADRP CC[C@@H](C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1)[NH+](C)C ZINC000993872451 696420814 /nfs/dbraw/zinc/42/08/14/696420814.db2.gz FKWJMWYOLAZQDU-KRWDZBQOSA-N 2 0 346.475 1.029 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCC[N@@H+]1CCOC1CCC1 ZINC000994219000 696587603 /nfs/dbraw/zinc/58/76/03/696587603.db2.gz AIKDIGZNNYPRPA-PBHICJAKSA-N 2 0 334.464 1.501 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccnc1 ZINC000916874100 696803981 /nfs/dbraw/zinc/80/39/81/696803981.db2.gz OYHUUKOPAVNOOQ-KRWDZBQOSA-N 2 0 333.480 1.715 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)CCO1 ZINC001031434232 697097405 /nfs/dbraw/zinc/09/74/05/697097405.db2.gz ZFZPYHHFBOAUBL-WBVHZDCISA-N 2 0 345.487 1.977 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001031438233 697105143 /nfs/dbraw/zinc/10/51/43/697105143.db2.gz XYANXXPWMSJFFR-OXQOHEQNSA-N 2 0 343.471 1.589 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001031440022 697109151 /nfs/dbraw/zinc/10/91/51/697109151.db2.gz OJZZIJCUYMBVAK-RBUKOAKNSA-N 2 0 345.487 1.265 20 0 EDADRP COc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031577486 697273852 /nfs/dbraw/zinc/27/38/52/697273852.db2.gz NOCSSRJTAICQLK-GOSISDBHSA-N 2 0 347.459 1.216 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674468 697483235 /nfs/dbraw/zinc/48/32/35/697483235.db2.gz JWSUJSRITDNREN-CZUORRHYSA-N 2 0 341.446 1.812 20 0 EDADRP Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031675015 697484325 /nfs/dbraw/zinc/48/43/25/697484325.db2.gz RREUAFFSLCUYES-LJQANCHMSA-N 2 0 327.472 1.885 20 0 EDADRP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)C1 ZINC001031688238 697522657 /nfs/dbraw/zinc/52/26/57/697522657.db2.gz BCSRMMRPJXJGFK-DLBZAZTESA-N 2 0 335.492 1.334 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031689087 697524410 /nfs/dbraw/zinc/52/44/10/697524410.db2.gz RUHBMEDTMGHJEF-RTBURBONSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031689084 697524423 /nfs/dbraw/zinc/52/44/23/697524423.db2.gz RUHBMEDTMGHJEF-MOPGFXCFSA-N 2 0 349.519 1.868 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000921181577 697525957 /nfs/dbraw/zinc/52/59/57/697525957.db2.gz RVIKINWEMHUBKO-GJZGRUSLSA-N 2 0 328.526 1.597 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434948 697611007 /nfs/dbraw/zinc/61/10/07/697611007.db2.gz RNCIQICONSTIKP-BXUZGUMPSA-N 2 0 337.493 1.487 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943288832 698048909 /nfs/dbraw/zinc/04/89/09/698048909.db2.gz NHUOHQJWHMNMBW-FUHWJXTLSA-N 2 0 347.507 1.442 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCOC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730818 698093192 /nfs/dbraw/zinc/09/31/92/698093192.db2.gz ZBXSJTSMHSZYRC-VQIMIIECSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940108518 700220838 /nfs/dbraw/zinc/22/08/38/700220838.db2.gz FRSICKLUEWGPOY-OAHLLOKOSA-N 2 0 348.495 1.159 20 0 EDADRP CC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940114851 700229619 /nfs/dbraw/zinc/22/96/19/700229619.db2.gz CMHQYKVOEGBHOY-MSOLQXFVSA-N 2 0 349.519 1.868 20 0 EDADRP CC1([NH2+]Cc2nccs2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115352 700230069 /nfs/dbraw/zinc/23/00/69/700230069.db2.gz IVQRKLOHGHYBTP-OAHLLOKOSA-N 2 0 348.516 1.956 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC000940120370 700253597 /nfs/dbraw/zinc/25/35/97/700253597.db2.gz NZDXUXGTTRHVKJ-GDBMZVCRSA-N 2 0 334.464 1.794 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941471074 701550005 /nfs/dbraw/zinc/55/00/05/701550005.db2.gz OUGNCFAXLMITCJ-IBGZPJMESA-N 2 0 348.535 1.345 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474866 701551190 /nfs/dbraw/zinc/55/11/90/701551190.db2.gz AXSJJLAFCMQSNS-KRWDZBQOSA-N 2 0 348.535 1.489 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)C12CCC[NH+](CCC1)C2 ZINC001031765532 699051740 /nfs/dbraw/zinc/05/17/40/699051740.db2.gz ZCSKHTBEOBGFLC-UHFFFAOYSA-N 2 0 348.516 1.610 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054322 699114631 /nfs/dbraw/zinc/11/46/31/699114631.db2.gz IBWIYAQEXWQTIF-CXAGYDPISA-N 2 0 334.464 1.515 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cc1 ZINC000939054227 699114653 /nfs/dbraw/zinc/11/46/53/699114653.db2.gz GUZHHKCDTZROGN-DNVCBOLYSA-N 2 0 345.487 1.974 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939054381 699114967 /nfs/dbraw/zinc/11/49/67/699114967.db2.gz IPSBAZKKTMGKAV-WBMJQRKESA-N 2 0 336.505 1.730 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446293372 699116161 /nfs/dbraw/zinc/11/61/61/699116161.db2.gz XKPSEBPFHQBHCQ-AWEZNQCLSA-N 2 0 325.416 1.060 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939064410 699131723 /nfs/dbraw/zinc/13/17/23/699131723.db2.gz WANOHCQYZVRSLF-IUODEOHRSA-N 2 0 336.505 1.730 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCn3ccnc3C2)C1)C1CCC1 ZINC001031784034 699213568 /nfs/dbraw/zinc/21/35/68/699213568.db2.gz KNLARJCNRRPASA-DLBZAZTESA-N 2 0 346.475 1.309 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](CC3CCOCC3)C2)ccc2c[nH+]cn21 ZINC001031799569 699328190 /nfs/dbraw/zinc/32/81/90/699328190.db2.gz AASXXCUPDVYASQ-UHFFFAOYSA-N 2 0 342.443 1.731 20 0 EDADRP COCc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3cnc[nH]3)C[C@H]2C)cc1 ZINC000939213871 699363570 /nfs/dbraw/zinc/36/35/70/699363570.db2.gz GPRVTCDVGQPQLU-RDTXWAMCSA-N 2 0 342.443 1.735 20 0 EDADRP C[C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939213873 699363640 /nfs/dbraw/zinc/36/36/40/699363640.db2.gz GPWKHKWJOWDXGI-FZKQIMNGSA-N 2 0 340.427 1.619 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939258164 699435788 /nfs/dbraw/zinc/43/57/88/699435788.db2.gz PNZWJSXYMKUFMB-KBXCAEBGSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000939256352 699448466 /nfs/dbraw/zinc/44/84/66/699448466.db2.gz BAZFYNJUGMDDBF-MAUKXSAKSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939398767 699547916 /nfs/dbraw/zinc/54/79/16/699547916.db2.gz QZCWCTNTCCKGAC-DLBZAZTESA-N 2 0 333.480 1.052 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939398895 699548046 /nfs/dbraw/zinc/54/80/46/699548046.db2.gz SRXWTKGPAZVBDI-CVEARBPZSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000939420128 699556695 /nfs/dbraw/zinc/55/66/95/699556695.db2.gz DJJQOSRMCOBKTL-APWZRJJASA-N 2 0 345.487 1.734 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)ccn1 ZINC000939543274 699684465 /nfs/dbraw/zinc/68/44/65/699684465.db2.gz BUTCSLDNUJBUME-GOEBONIOSA-N 2 0 344.459 1.123 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000939546113 699688097 /nfs/dbraw/zinc/68/80/97/699688097.db2.gz QBIHJRAFABMTRR-XJKSGUPXSA-N 2 0 348.878 1.767 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@@H]2C)o1 ZINC000939550202 699698965 /nfs/dbraw/zinc/69/89/65/699698965.db2.gz HQFZZYRPSMONKV-LRDDRELGSA-N 2 0 343.431 1.694 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000939552664 699702783 /nfs/dbraw/zinc/70/27/83/699702783.db2.gz ZZNHORXMXILDFO-HIFRSBDPSA-N 2 0 346.475 1.578 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ncccc2C)C1 ZINC000939622888 699759971 /nfs/dbraw/zinc/75/99/71/699759971.db2.gz PDNPMIIEDIMFRD-DYVFJYSZSA-N 2 0 327.432 1.601 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(C)s1 ZINC000939753015 699902393 /nfs/dbraw/zinc/90/23/93/699902393.db2.gz CKVUGYYPBWRQPK-WBMJQRKESA-N 2 0 336.505 1.792 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850389 699940841 /nfs/dbraw/zinc/94/08/41/699940841.db2.gz YCMHIZPNGGGQRN-SFHVURJKSA-N 2 0 342.443 1.955 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)on1 ZINC000939808585 699957489 /nfs/dbraw/zinc/95/74/89/699957489.db2.gz FNHGSNFTPXGGMH-YOEHRIQHSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nc1 ZINC000940149670 700282792 /nfs/dbraw/zinc/28/27/92/700282792.db2.gz NTPPLCDIPZUBMO-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnc(OC)n2)CC1)[NH+](C)C ZINC000940176358 700308867 /nfs/dbraw/zinc/30/88/67/700308867.db2.gz GINSXAXZXBUQJO-OAHLLOKOSA-N 2 0 349.479 1.296 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000940176839 700309548 /nfs/dbraw/zinc/30/95/48/700309548.db2.gz QZQWFMTZTUYZPV-JKSUJKDBSA-N 2 0 347.463 1.557 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cccnc2OC)CC1)[NH+](C)C ZINC000940177105 700310173 /nfs/dbraw/zinc/31/01/73/700310173.db2.gz WHIBDEMTJQFLGP-MRXNPFEDSA-N 2 0 348.491 1.901 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000940178565 700312124 /nfs/dbraw/zinc/31/21/24/700312124.db2.gz HSTAZVTZWKTJOW-CQSZACIVSA-N 2 0 349.479 1.587 20 0 EDADRP Cn1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995051112 700378859 /nfs/dbraw/zinc/37/88/59/700378859.db2.gz AXYGNJYSYNQHMA-HUUCEWRRSA-N 2 0 348.495 1.064 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC000995056327 700405708 /nfs/dbraw/zinc/40/57/08/700405708.db2.gz QUTMLMSHIKDEJM-JKSUJKDBSA-N 2 0 345.491 1.726 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000940305455 700487900 /nfs/dbraw/zinc/48/79/00/700487900.db2.gz BPMJMKWOFBQHEX-OAHLLOKOSA-N 2 0 337.468 1.435 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940328054 700505970 /nfs/dbraw/zinc/50/59/70/700505970.db2.gz DTDQNCGAEJDETN-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC000940328356 700506343 /nfs/dbraw/zinc/50/63/43/700506343.db2.gz HPESNJVULVNSKE-OAHLLOKOSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC000940328401 700506894 /nfs/dbraw/zinc/50/68/94/700506894.db2.gz IUDKKQUIUUOXKT-JKSUJKDBSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000940328972 700507683 /nfs/dbraw/zinc/50/76/83/700507683.db2.gz PDXPIVFHCGMMDJ-GXTWGEPZSA-N 2 0 335.452 1.046 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940329476 700509136 /nfs/dbraw/zinc/50/91/36/700509136.db2.gz UDAATMFQZHCRJG-INIZCTEOSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995076165 700645966 /nfs/dbraw/zinc/64/59/66/700645966.db2.gz CEVOSVJVJNRVED-WBVHZDCISA-N 2 0 345.491 1.501 20 0 EDADRP CC(C)CC[NH+]1CC(CNC(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001032123023 701667186 /nfs/dbraw/zinc/66/71/86/701667186.db2.gz LZEDDLQAYBLOLP-UHFFFAOYSA-N 2 0 327.432 1.975 20 0 EDADRP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940625095 700786841 /nfs/dbraw/zinc/78/68/41/700786841.db2.gz OSUIHQZUWVABHP-HOTGVXAUSA-N 2 0 334.464 1.794 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940749721 700876395 /nfs/dbraw/zinc/87/63/95/700876395.db2.gz BNMWFPOMAVHHSV-MRXNPFEDSA-N 2 0 335.496 1.685 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)[nH]1 ZINC000995110151 700997194 /nfs/dbraw/zinc/99/71/94/700997194.db2.gz GKCWJQZTKGCCGM-HOTGVXAUSA-N 2 0 348.495 1.220 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032199 701073843 /nfs/dbraw/zinc/07/38/43/701073843.db2.gz GBRMZYKRVFOABR-WBVHZDCISA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033809 701076930 /nfs/dbraw/zinc/07/69/30/701076930.db2.gz VSBGBGRHSUMPDO-NVXWUHKLSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCC3CCCC3)C2)C1 ZINC001031922949 701094055 /nfs/dbraw/zinc/09/40/55/701094055.db2.gz PSBCOKWMPABHTH-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2nccs2)C1 ZINC000999168653 706596789 /nfs/dbraw/zinc/59/67/89/706596789.db2.gz HVSQJMQEVYOOCP-GJZGRUSLSA-N 2 0 334.489 1.566 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941168158 701379202 /nfs/dbraw/zinc/37/92/02/701379202.db2.gz ASAPYDBNMRVNPC-MRXNPFEDSA-N 2 0 334.464 1.624 20 0 EDADRP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941215689 701401722 /nfs/dbraw/zinc/40/17/22/701401722.db2.gz AAEBMJNSGMZBKS-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995137640 701449732 /nfs/dbraw/zinc/44/97/32/701449732.db2.gz YVMAJCPKXRBVIX-IRXDYDNUSA-N 2 0 345.491 1.583 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999173605 706604622 /nfs/dbraw/zinc/60/46/22/706604622.db2.gz JZWAXKDMTJFNHL-WBVHZDCISA-N 2 0 348.516 1.608 20 0 EDADRP CC1CC(C[NH+]2CC(N3CCN(C(=O)[C@H]4CCCC[N@@H+]4C)CC3)C2)C1 ZINC000941459514 701544034 /nfs/dbraw/zinc/54/40/34/701544034.db2.gz FNFVYOGXPMWNOI-FAFZWHIHSA-N 2 0 348.535 1.345 20 0 EDADRP O=C(NCC1CN(CCOc2ccccc2F)C1)C12CC[NH+](CC1)C2 ZINC001032131803 701856674 /nfs/dbraw/zinc/85/66/74/701856674.db2.gz VHHHFUHPSSLAGB-UHFFFAOYSA-N 2 0 347.434 1.348 20 0 EDADRP O=C(NCC1C[NH+]([C@H]2CCc3ccc(F)cc32)C1)C12CC[NH+](CC1)C2 ZINC001032131869 701857656 /nfs/dbraw/zinc/85/76/56/701857656.db2.gz VOQJTSMYZQWXDY-SFHVURJKSA-N 2 0 343.446 1.957 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999188903 706630492 /nfs/dbraw/zinc/63/04/92/706630492.db2.gz FMIJBDCAWBYXDO-BPQIPLTHSA-N 2 0 347.507 1.366 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC000999190276 706633073 /nfs/dbraw/zinc/63/30/73/706633073.db2.gz PTSSVFXGMAJYQM-QLFBSQMISA-N 2 0 336.505 1.872 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]([NH2+]CCF)C2)CC1 ZINC000999195480 706638646 /nfs/dbraw/zinc/63/86/46/706638646.db2.gz ROFZKQQTBAETSU-ZACQAIPSSA-N 2 0 341.471 1.283 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1[NH2+]CCO ZINC000995823239 702093465 /nfs/dbraw/zinc/09/34/65/702093465.db2.gz NRYULXMCALGQNI-RDJZCZTQSA-N 2 0 337.508 1.460 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825934 702098002 /nfs/dbraw/zinc/09/80/02/702098002.db2.gz UNFNBFNCFKZGNA-DLBZAZTESA-N 2 0 345.491 1.089 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)c1 ZINC001032206488 702149002 /nfs/dbraw/zinc/14/90/02/702149002.db2.gz BYQLLVLCRLXMJU-INIZCTEOSA-N 2 0 345.487 1.836 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(Cc3ccc(F)c(Cl)c3)C2)C1 ZINC001032183034 702153646 /nfs/dbraw/zinc/15/36/46/702153646.db2.gz YCYVBUVHILRHMC-CQSZACIVSA-N 2 0 339.842 1.979 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995892194 702191871 /nfs/dbraw/zinc/19/18/71/702191871.db2.gz FFOOBGNOXIEYJG-CVEARBPZSA-N 2 0 334.464 1.650 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)CC[N@@H+]1C ZINC000999203413 706648213 /nfs/dbraw/zinc/64/82/13/706648213.db2.gz BPEZVILJZABYOB-OWCLPIDISA-N 2 0 333.480 1.231 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CC1 ZINC000995902952 702210626 /nfs/dbraw/zinc/21/06/26/702210626.db2.gz ILJIMCXNEBHNSJ-IAGOWNOFSA-N 2 0 337.508 1.580 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C)c1cnccn1 ZINC000995883675 702217267 /nfs/dbraw/zinc/21/72/67/702217267.db2.gz DVMHJGZPIWSTSW-ZBFHGGJFSA-N 2 0 345.491 1.849 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995921757 702244450 /nfs/dbraw/zinc/24/44/50/702244450.db2.gz XVTFQQFWRYRRLL-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001032185847 702309915 /nfs/dbraw/zinc/30/99/15/702309915.db2.gz DFASIMAVGZGPPZ-QGZVFWFLSA-N 2 0 343.471 1.259 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ocnc3C)C2)CC[N@@H+]1C ZINC000999209115 706662085 /nfs/dbraw/zinc/66/20/85/706662085.db2.gz OLTHOLRXBXWKAS-OWCLPIDISA-N 2 0 334.464 1.794 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995972667 702357115 /nfs/dbraw/zinc/35/71/15/702357115.db2.gz DXMDMLFHVRFPLP-HOTGVXAUSA-N 2 0 333.480 1.231 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995996781 702375670 /nfs/dbraw/zinc/37/56/70/702375670.db2.gz MRVLLWGJGZYRAR-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)co1 ZINC000944171181 702415988 /nfs/dbraw/zinc/41/59/88/702415988.db2.gz XIWDQCCZMRUPMS-CJNGLKHVSA-N 2 0 332.448 1.405 20 0 EDADRP C[C@@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171647 702417460 /nfs/dbraw/zinc/41/74/60/702417460.db2.gz ZMGDOUKMCVMTGX-AEFFLSMTSA-N 2 0 349.519 1.726 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995207330 702664464 /nfs/dbraw/zinc/66/44/64/702664464.db2.gz DOVNOOYIRZWHNF-CVEARBPZSA-N 2 0 333.480 1.373 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293103 702685407 /nfs/dbraw/zinc/68/54/07/702685407.db2.gz BICJPBYRPGRSQG-HZPDHXFCSA-N 2 0 333.480 1.194 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1)[NH+](C)C ZINC000996313820 702702155 /nfs/dbraw/zinc/70/21/55/702702155.db2.gz GAKRKKMYGQVKMA-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)no1 ZINC000996478105 702809836 /nfs/dbraw/zinc/80/98/36/702809836.db2.gz OYHDGYJKQVWNIA-CRAIPNDOSA-N 2 0 346.475 1.938 20 0 EDADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000996499248 702838250 /nfs/dbraw/zinc/83/82/50/702838250.db2.gz BPEREWXANSIQRJ-WMLDXEAASA-N 2 0 337.508 1.316 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)n1 ZINC000996517815 702853558 /nfs/dbraw/zinc/85/35/58/702853558.db2.gz ARWSBLLTPUKBKE-CQSZACIVSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)sn1 ZINC000996524211 702859359 /nfs/dbraw/zinc/85/93/59/702859359.db2.gz GTTJGRCWSCHWET-HNNXBMFYSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562844 702876893 /nfs/dbraw/zinc/87/68/93/702876893.db2.gz XSAUOQGLSBTZTD-GOSISDBHSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)s1 ZINC000996560460 702878340 /nfs/dbraw/zinc/87/83/40/702878340.db2.gz HXTZMIQNUFXHTH-INIZCTEOSA-N 2 0 348.516 1.874 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996614267 702919572 /nfs/dbraw/zinc/91/95/72/702919572.db2.gz MQQNTMZKGVOUNY-HZPDHXFCSA-N 2 0 346.475 1.369 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCc3ccns3)C(C)(C)C2)C1 ZINC000996610004 702921197 /nfs/dbraw/zinc/92/11/97/702921197.db2.gz IVSCQZATLUISQT-UKRRQHHQSA-N 2 0 336.505 1.464 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996661733 702959135 /nfs/dbraw/zinc/95/91/35/702959135.db2.gz MVBNIOXOLPNWSS-SFHVURJKSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2CC)CC1 ZINC000996662741 702960434 /nfs/dbraw/zinc/96/04/34/702960434.db2.gz PRGVNWJHVLDSJS-QGZVFWFLSA-N 2 0 347.507 1.858 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000996666519 702963578 /nfs/dbraw/zinc/96/35/78/702963578.db2.gz STPVLPZVRBPZEU-UHFFFAOYSA-N 2 0 347.507 1.510 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000996674253 702969438 /nfs/dbraw/zinc/96/94/38/702969438.db2.gz BFWYVGNGFLOMES-GUYCJALGSA-N 2 0 331.464 1.458 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996674789 702970047 /nfs/dbraw/zinc/97/00/47/702970047.db2.gz WXGABGGFMMUIEL-YOEHRIQHSA-N 2 0 333.476 1.569 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)o1 ZINC000996685861 702983629 /nfs/dbraw/zinc/98/36/29/702983629.db2.gz BDYZJPCQPUTEEP-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996688413 702985783 /nfs/dbraw/zinc/98/57/83/702985783.db2.gz IPFSVNFCJQXFLX-QGZVFWFLSA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996692864 702990276 /nfs/dbraw/zinc/99/02/76/702990276.db2.gz ZLFLHOBRKDMWMR-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996715416 703010153 /nfs/dbraw/zinc/01/01/53/703010153.db2.gz FYKLNDGHMWTGKI-NVXWUHKLSA-N 2 0 347.463 1.476 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000355149666 703011321 /nfs/dbraw/zinc/01/13/21/703011321.db2.gz MOLIRIYZDITCMD-DLBZAZTESA-N 2 0 325.497 1.580 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[NH+](CCF)C1 ZINC000995257725 703017581 /nfs/dbraw/zinc/01/75/81/703017581.db2.gz LHWRERQCCIDQAN-MSOLQXFVSA-N 2 0 348.466 1.796 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001032026325 703052736 /nfs/dbraw/zinc/05/27/36/703052736.db2.gz CDVXYIHQDRPDTJ-WMZOPIPTSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996797708 703089837 /nfs/dbraw/zinc/08/98/37/703089837.db2.gz IZNOYEASABKNMO-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP CC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000996815651 703101758 /nfs/dbraw/zinc/10/17/58/703101758.db2.gz DAANUABIKNIIKD-LMFLDHGRSA-N 2 0 347.503 1.476 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598053 703112694 /nfs/dbraw/zinc/11/26/94/703112694.db2.gz QRPHGTUEUHADHW-WMLDXEAASA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1C[N@H+](CCc2cnn(C)c2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598174 703113309 /nfs/dbraw/zinc/11/33/09/703113309.db2.gz SLRMIWJEDBMMPV-MAUKXSAKSA-N 2 0 347.507 1.131 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996903937 703178166 /nfs/dbraw/zinc/17/81/66/703178166.db2.gz LFDYQKDMMDNNJX-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042627 703204057 /nfs/dbraw/zinc/20/40/57/703204057.db2.gz GWWRNYVKXDVWPD-ZWKOTPCHSA-N 2 0 345.491 1.028 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)CC1 ZINC000996957112 703220367 /nfs/dbraw/zinc/22/03/67/703220367.db2.gz XOSTUZPGLGIKSV-UHFFFAOYSA-N 2 0 346.475 1.974 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)CC1 ZINC000996951225 703221829 /nfs/dbraw/zinc/22/18/29/703221829.db2.gz DFLQEXFQRFTHBA-UHFFFAOYSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000996980598 703235909 /nfs/dbraw/zinc/23/59/09/703235909.db2.gz SISXEPVHCRKVDH-QAPCUYQASA-N 2 0 345.491 1.596 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CC3CCCC3)C2)cn1 ZINC001032044647 703246170 /nfs/dbraw/zinc/24/61/70/703246170.db2.gz WDIAQVOVGIXJAU-UHFFFAOYSA-N 2 0 333.480 1.297 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)ccn1 ZINC000996995382 703251998 /nfs/dbraw/zinc/25/19/98/703251998.db2.gz OEPUMWVVFJWISN-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)o1 ZINC000997014810 703274188 /nfs/dbraw/zinc/27/41/88/703274188.db2.gz KWBYSSHVHRNOQU-OCCSQVGLSA-N 2 0 337.468 1.614 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC1 ZINC000997144163 703407385 /nfs/dbraw/zinc/40/73/85/703407385.db2.gz QMMXHFDGGYRBDG-UHFFFAOYSA-N 2 0 347.507 1.584 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997181571 703466100 /nfs/dbraw/zinc/46/61/00/703466100.db2.gz BMKISMAFZRJVHI-OAHLLOKOSA-N 2 0 348.495 1.029 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997183667 703469178 /nfs/dbraw/zinc/46/91/78/703469178.db2.gz LJJJZRHXWQLNQU-AWEZNQCLSA-N 2 0 334.439 1.643 20 0 EDADRP O=C(N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC000997190426 703472706 /nfs/dbraw/zinc/47/27/06/703472706.db2.gz YAIXQVUIEXMTDD-KXBFYZLASA-N 2 0 333.476 1.089 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000997185796 703474862 /nfs/dbraw/zinc/47/48/62/703474862.db2.gz RMHCBASEOUEGFQ-AWEZNQCLSA-N 2 0 336.505 1.608 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997188041 703477567 /nfs/dbraw/zinc/47/75/67/703477567.db2.gz YIBGXYCKCUGTOJ-OAHLLOKOSA-N 2 0 345.491 1.252 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997191904 703488888 /nfs/dbraw/zinc/48/88/88/703488888.db2.gz SKTHUUUPOQKDOY-AEFFLSMTSA-N 2 0 339.524 1.706 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000997300732 703544102 /nfs/dbraw/zinc/54/41/02/703544102.db2.gz WRZYPOAQIDXJLP-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997300509 703544284 /nfs/dbraw/zinc/54/42/84/703544284.db2.gz WJWVXWWKXCICKS-OLZOCXBDSA-N 2 0 335.452 1.225 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCCC4)CC2)C1 ZINC000997299925 703557238 /nfs/dbraw/zinc/55/72/38/703557238.db2.gz RQDGVXUDYVORNW-HNNXBMFYSA-N 2 0 345.491 1.252 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997357756 703594955 /nfs/dbraw/zinc/59/49/55/703594955.db2.gz YOZSVMOFUWTIOV-UHFFFAOYSA-N 2 0 343.431 1.526 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)cn1 ZINC000997361616 703595620 /nfs/dbraw/zinc/59/56/20/703595620.db2.gz WZCRHAWTVGPKLF-HZPDHXFCSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000997366626 703600419 /nfs/dbraw/zinc/60/04/19/703600419.db2.gz IBNGLBSVLADHLV-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)[NH+]1CCCC1 ZINC000997368173 703604950 /nfs/dbraw/zinc/60/49/50/703604950.db2.gz ABGUIGKAQXXKAQ-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997368150 703604955 /nfs/dbraw/zinc/60/49/55/703604955.db2.gz QFDCDZZWHDZLDE-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1nncn1C ZINC000997369200 703610683 /nfs/dbraw/zinc/61/06/83/703610683.db2.gz ZDQAGNIADLRSBP-OAHLLOKOSA-N 2 0 348.495 1.333 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997434933 703664853 /nfs/dbraw/zinc/66/48/53/703664853.db2.gz RGLRZPDHXMXQBU-NVXWUHKLSA-N 2 0 325.497 1.460 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1)[NH+](C)C ZINC001032474874 703695843 /nfs/dbraw/zinc/69/58/43/703695843.db2.gz QEFAMVRMRGHMLW-WNRNVDISSA-N 2 0 337.508 1.553 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCOCC1 ZINC001032479873 703717046 /nfs/dbraw/zinc/71/70/46/703717046.db2.gz RVSAYRCXNVXOSO-FHWLQOOXSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997515121 703765031 /nfs/dbraw/zinc/76/50/31/703765031.db2.gz IUOUXVQMQDXVHB-KSSFIOAISA-N 2 0 347.507 1.539 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)CC[N@@H+]1C ZINC000997596223 703885369 /nfs/dbraw/zinc/88/53/69/703885369.db2.gz LCCFGLHWHQAARP-BHYGNILZSA-N 2 0 325.497 1.316 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000997608199 703904989 /nfs/dbraw/zinc/90/49/89/703904989.db2.gz SAEPTLOBLWDJCE-MRXNPFEDSA-N 2 0 331.464 1.207 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCO2)CC1 ZINC001032710444 706793232 /nfs/dbraw/zinc/79/32/32/706793232.db2.gz AHPYFDMAOSZSDV-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999302621 706805993 /nfs/dbraw/zinc/80/59/93/706805993.db2.gz IOYXDZVNTIMOGB-WMTDPASSSA-N 2 0 345.491 1.594 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999302947 706806296 /nfs/dbraw/zinc/80/62/96/706806296.db2.gz GTGXVKHNAKLLQW-IAGOWNOFSA-N 2 0 333.480 1.338 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997786887 704696072 /nfs/dbraw/zinc/69/60/72/704696072.db2.gz RKHFIVGFWNJONP-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997819854 704740989 /nfs/dbraw/zinc/74/09/89/704740989.db2.gz DXHVWAFZKWCJOG-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CC1 ZINC000997832089 704750524 /nfs/dbraw/zinc/75/05/24/704750524.db2.gz YSHCHGVAAYZJIF-QZTJIDSGSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)[NH+](C)C ZINC000997856311 704764829 /nfs/dbraw/zinc/76/48/29/704764829.db2.gz TUVVFFSFHJVZQQ-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)o2)CC1)[NH+](C)C ZINC000997855021 704767077 /nfs/dbraw/zinc/76/70/77/704767077.db2.gz JFKUVWYTPFRAPV-SWLSCSKDSA-N 2 0 337.468 1.607 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000997864859 704770302 /nfs/dbraw/zinc/77/03/02/704770302.db2.gz BTHRWMJXWFNIGQ-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000997866847 704772120 /nfs/dbraw/zinc/77/21/20/704772120.db2.gz VJSZVJGCRHUQPZ-QGZVFWFLSA-N 2 0 348.495 1.111 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 ZINC000944965385 704835777 /nfs/dbraw/zinc/83/57/77/704835777.db2.gz RWIQYZZLQKJYGQ-DYVFJYSZSA-N 2 0 345.447 1.769 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997942737 705060755 /nfs/dbraw/zinc/06/07/55/705060755.db2.gz KXXHTZKSJPCKOK-MJGOQNOKSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000945094957 705066204 /nfs/dbraw/zinc/06/62/04/705066204.db2.gz ZCHRSONJCMBIJX-QAPCUYQASA-N 2 0 333.476 1.571 20 0 EDADRP Cc1oncc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001032587138 705108532 /nfs/dbraw/zinc/10/85/32/705108532.db2.gz NSJODPXTIBYTFO-CSFVBSKPSA-N 2 0 332.448 1.498 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998007433 705172479 /nfs/dbraw/zinc/17/24/79/705172479.db2.gz NWKXUYBYGSVGPX-ROUUACIJSA-N 2 0 337.508 1.678 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000998031507 705216490 /nfs/dbraw/zinc/21/64/90/705216490.db2.gz MNIRDZQGBAAEND-ZDUSSCGKSA-N 2 0 348.495 1.344 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998078792 705291308 /nfs/dbraw/zinc/29/13/08/705291308.db2.gz MOAWWGAIGSUYID-CJNGLKHVSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998078780 705291321 /nfs/dbraw/zinc/29/13/21/705291321.db2.gz MOAWWGAIGSUYID-BBRMVZONSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nc1 ZINC000998080544 705306243 /nfs/dbraw/zinc/30/62/43/705306243.db2.gz DBYJZTOUIDMXJP-HNNXBMFYSA-N 2 0 345.491 1.455 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000998080543 705306384 /nfs/dbraw/zinc/30/63/84/705306384.db2.gz CZFGGLGEICHIHM-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998084074 705313702 /nfs/dbraw/zinc/31/37/02/705313702.db2.gz YZJLZNQMURNKNF-CRAIPNDOSA-N 2 0 330.476 1.608 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@H+](CC)CC1 ZINC000998157732 705433965 /nfs/dbraw/zinc/43/39/65/705433965.db2.gz TXTMFBSRBJTEKN-KRWDZBQOSA-N 2 0 335.496 1.781 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]cnc3C)CC2)n1 ZINC000998243742 705583258 /nfs/dbraw/zinc/58/32/58/705583258.db2.gz IBJLCIPUIQWNJE-GFCCVEGCSA-N 2 0 346.435 1.541 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC000998263945 705634138 /nfs/dbraw/zinc/63/41/38/705634138.db2.gz COASMIBKHSBUEF-OAHLLOKOSA-N 2 0 336.505 1.731 20 0 EDADRP O=C([C@H]1CCCc2nc[nH]c21)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032620342 705668748 /nfs/dbraw/zinc/66/87/48/705668748.db2.gz CAGLUUWTQFVBLA-JYJNAYRXSA-N 2 0 344.459 1.541 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998286133 705681172 /nfs/dbraw/zinc/68/11/72/705681172.db2.gz GGQFEHOIMAKYOD-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998286225 705681845 /nfs/dbraw/zinc/68/18/45/705681845.db2.gz JBLHGQNWDBHDTH-IYBDPMFKSA-N 2 0 347.507 1.621 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000998548348 705983916 /nfs/dbraw/zinc/98/39/16/705983916.db2.gz GRCMTOVJLVULHP-ZBCRRDGASA-N 2 0 336.867 1.908 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)nn1 ZINC000998552881 705990761 /nfs/dbraw/zinc/99/07/61/705990761.db2.gz UOXBREXFDILFGP-AVVWSFFYSA-N 2 0 334.468 1.032 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)sn1 ZINC000998719446 706151335 /nfs/dbraw/zinc/15/13/35/706151335.db2.gz FVWQFTNMRJMDKW-TZMCWYRMSA-N 2 0 338.477 1.327 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2coc(C3CC3)n2)C1 ZINC000998734958 706168501 /nfs/dbraw/zinc/16/85/01/706168501.db2.gz YGHJDZBBTXCWTH-GDBMZVCRSA-N 2 0 332.448 1.727 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998735369 706170359 /nfs/dbraw/zinc/17/03/59/706170359.db2.gz YUNDBEJFWDGBLZ-WMLDXEAASA-N 2 0 331.464 1.004 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998764503 706203699 /nfs/dbraw/zinc/20/36/99/706203699.db2.gz RVOUNNPAJDNSDS-DAWZGUTISA-N 2 0 337.508 1.865 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC000998792555 706239460 /nfs/dbraw/zinc/23/94/60/706239460.db2.gz YOHINCAURPAAJG-CXTZMWEQSA-N 2 0 337.493 1.347 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998866478 706295958 /nfs/dbraw/zinc/29/59/58/706295958.db2.gz JWXFUZINRYILOQ-VMBOVVBDSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999035168 706450235 /nfs/dbraw/zinc/45/02/35/706450235.db2.gz IWKAFBUDVLVFAM-VMBOVVBDSA-N 2 0 348.495 1.015 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144742 706558639 /nfs/dbraw/zinc/55/86/39/706558639.db2.gz NIWVFXNIMPMPOO-NVXWUHKLSA-N 2 0 333.480 1.374 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999321002 706821591 /nfs/dbraw/zinc/82/15/91/706821591.db2.gz YAUJNZYEIBGRCK-UHFFFAOYSA-N 2 0 345.447 1.468 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000999318345 706826540 /nfs/dbraw/zinc/82/65/40/706826540.db2.gz ROPPMGIFNCXRKM-INIZCTEOSA-N 2 0 330.436 1.165 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)CCC1 ZINC000999347282 706859068 /nfs/dbraw/zinc/85/90/68/706859068.db2.gz INLOJBGSYKXYPQ-GOSISDBHSA-N 2 0 345.487 1.744 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999373819 706868286 /nfs/dbraw/zinc/86/82/86/706868286.db2.gz RIIGBMKJFHWRKI-GDBMZVCRSA-N 2 0 336.505 1.872 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999407421 706916942 /nfs/dbraw/zinc/91/69/42/706916942.db2.gz UUCBCIVDXUAGQK-IGEOTXOUSA-N 2 0 334.439 1.784 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999509095 707006557 /nfs/dbraw/zinc/00/65/57/707006557.db2.gz JDEKRNPLUORRSA-RDJZCZTQSA-N 2 0 333.480 1.028 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999509591 707007133 /nfs/dbraw/zinc/00/71/33/707007133.db2.gz JOTWHCSFHMDYFB-WBVHZDCISA-N 2 0 334.464 1.802 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)o1 ZINC000999512421 707011121 /nfs/dbraw/zinc/01/11/21/707011121.db2.gz PPKUAWMKVDWVTK-CVEARBPZSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1C ZINC000999515129 707014221 /nfs/dbraw/zinc/01/42/21/707014221.db2.gz XJRLFFDCDQAKIP-NVXWUHKLSA-N 2 0 333.480 1.293 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2csc(C)n2)C1)[NH+](C)C ZINC000999490428 707026711 /nfs/dbraw/zinc/02/67/11/707026711.db2.gz PSWUFSKPOCEREL-GOEBONIOSA-N 2 0 338.521 1.915 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC000999595061 707098075 /nfs/dbraw/zinc/09/80/75/707098075.db2.gz DNQWYWHCCNQAHS-DLBZAZTESA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1)c1cnccn1 ZINC000999597703 707100581 /nfs/dbraw/zinc/10/05/81/707100581.db2.gz HAMKLRMCJCTOPJ-KLAILNCOSA-N 2 0 345.491 1.849 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000999623096 707145311 /nfs/dbraw/zinc/14/53/11/707145311.db2.gz VGDRLMCFZVEAGO-WBVHZDCISA-N 2 0 342.443 1.955 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555397 707179917 /nfs/dbraw/zinc/17/99/17/707179917.db2.gz LWDHXMGJEVHRCV-RDJZCZTQSA-N 2 0 333.476 1.630 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999702623 707233984 /nfs/dbraw/zinc/23/39/84/707233984.db2.gz AMABNMSOFJKJHY-OAHLLOKOSA-N 2 0 338.415 1.462 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999793589 707364750 /nfs/dbraw/zinc/36/47/50/707364750.db2.gz RDLSEXZEGKZLLT-ZWKOTPCHSA-N 2 0 345.491 1.338 20 0 EDADRP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCOC1 ZINC001032725355 707711713 /nfs/dbraw/zinc/71/17/13/707711713.db2.gz RFAVSCLXOGJXOP-WDSOQIARSA-N 2 0 347.503 1.430 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)C1 ZINC001032731887 707735236 /nfs/dbraw/zinc/73/52/36/707735236.db2.gz RRHAEMDWJATYIX-JYJNAYRXSA-N 2 0 333.501 1.918 20 0 EDADRP Cc1nc(CN[C@@H](C)[C@H]2CCCCN2C(=O)Cc2cncn2C)co1 ZINC001004980615 707823280 /nfs/dbraw/zinc/82/32/80/707823280.db2.gz KTYUJDNNWWWPTM-SUMWQHHRSA-N 2 0 345.447 1.818 20 0 EDADRP CCn1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)n1 ZINC001004988204 707844759 /nfs/dbraw/zinc/84/47/59/707844759.db2.gz AZYIZTUKYINXNG-SJLPKXTDSA-N 2 0 347.507 1.858 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC001000229805 707895554 /nfs/dbraw/zinc/89/55/54/707895554.db2.gz XPWYYIZBBKRTJF-SJORKVTESA-N 2 0 335.496 1.885 20 0 EDADRP Cc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1F ZINC001032781540 707968808 /nfs/dbraw/zinc/96/88/08/707968808.db2.gz YWRAUGCHTSXXRY-IKGGRYGDSA-N 2 0 331.435 1.871 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC[C@@H]([NH2+]Cc3ccccn3)C2)CC1 ZINC001000571441 708052752 /nfs/dbraw/zinc/05/27/52/708052752.db2.gz JCGDDMYUPLTHCS-QGZVFWFLSA-N 2 0 346.475 1.273 20 0 EDADRP Cc1ccncc1C[N@H+]1CC=C(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001112343 708101174 /nfs/dbraw/zinc/10/11/74/708101174.db2.gz GEJRCCQAZDDJJN-UHFFFAOYSA-N 2 0 342.487 1.980 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)CCC[N@H+](C[C@@H]1CCCOC1)C2 ZINC001040532715 708111924 /nfs/dbraw/zinc/11/19/24/708111924.db2.gz ZLNVHVIDEUBSQR-AZUAARDMSA-N 2 0 349.519 1.823 20 0 EDADRP Cc1cncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC001005179294 708121785 /nfs/dbraw/zinc/12/17/85/708121785.db2.gz MCRPRLSSIGBWLJ-SFHVURJKSA-N 2 0 330.476 1.907 20 0 EDADRP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593324 708293170 /nfs/dbraw/zinc/29/31/70/708293170.db2.gz KQHIITYTPUFFEY-OAHLLOKOSA-N 2 0 348.516 1.888 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001033594447 708296287 /nfs/dbraw/zinc/29/62/87/708296287.db2.gz QHFUSERRSMMPIR-ROUUACIJSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033595608 708299784 /nfs/dbraw/zinc/29/97/84/708299784.db2.gz VESQOXWTNGTVGM-OAHLLOKOSA-N 2 0 348.516 1.623 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033583646 708307596 /nfs/dbraw/zinc/30/75/96/708307596.db2.gz XGIJXQPWGRITJS-MSOLQXFVSA-N 2 0 347.507 1.374 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccccn2)CC1 ZINC001001835653 708340168 /nfs/dbraw/zinc/34/01/68/708340168.db2.gz YVDBIDXOICRLDS-QAPCUYQASA-N 2 0 330.476 1.608 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659579 708471568 /nfs/dbraw/zinc/47/15/68/708471568.db2.gz DHKAZTXGXSWDBY-LSDHHAIUSA-N 2 0 334.464 1.530 20 0 EDADRP Cc1cnc([C@@H](C)[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002128122 708644680 /nfs/dbraw/zinc/64/46/80/708644680.db2.gz UYGOFNJDTPTWLQ-WBVHZDCISA-N 2 0 345.491 1.626 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033833889 708860295 /nfs/dbraw/zinc/86/02/95/708860295.db2.gz LWFIKYIMDQPFML-KBAYOESNSA-N 2 0 347.507 1.226 20 0 EDADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033837616 708867055 /nfs/dbraw/zinc/86/70/55/708867055.db2.gz MUEYPEKOUQOSMG-INIZCTEOSA-N 2 0 335.496 1.781 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001033884311 708987969 /nfs/dbraw/zinc/98/79/69/708987969.db2.gz YPVKFSNEUOJEIU-HOCLYGCPSA-N 2 0 330.432 1.906 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001034039323 709272430 /nfs/dbraw/zinc/27/24/30/709272430.db2.gz HQYYEBPFLWCLSQ-HZPDHXFCSA-N 2 0 334.464 1.666 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001034039402 709272486 /nfs/dbraw/zinc/27/24/86/709272486.db2.gz IISCJJJYAQGKHX-ROUUACIJSA-N 2 0 347.507 1.374 20 0 EDADRP CCc1nc(C)c(C[N@H+]2CC[C@@H](N(CC)C(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034040392 709273567 /nfs/dbraw/zinc/27/35/67/709273567.db2.gz TXTPAEVOQXDZJO-HZPDHXFCSA-N 2 0 348.491 1.920 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001002861191 709464537 /nfs/dbraw/zinc/46/45/37/709464537.db2.gz VNKVDHTZXBONOG-JFIYKMOQSA-N 2 0 337.508 1.724 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034211295 709562280 /nfs/dbraw/zinc/56/22/80/709562280.db2.gz ZDWBVTBGPFSFOG-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2coc(C)n2)CC1 ZINC001002955283 709656471 /nfs/dbraw/zinc/65/64/71/709656471.db2.gz JGBQOWWROQDNER-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(F)c1 ZINC000922097760 709681910 /nfs/dbraw/zinc/68/19/10/709681910.db2.gz COQYJIDBCMWZQB-UHFFFAOYSA-N 2 0 337.439 1.728 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002994404 709742249 /nfs/dbraw/zinc/74/22/49/709742249.db2.gz HGTQZOSGJQMCKJ-HOTGVXAUSA-N 2 0 325.497 1.580 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309887 709752571 /nfs/dbraw/zinc/75/25/71/709752571.db2.gz PQVZQWKPCXBZGU-GDBMZVCRSA-N 2 0 330.432 1.954 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCc2cnn(C)c2)C1 ZINC001034397708 709938971 /nfs/dbraw/zinc/93/89/71/709938971.db2.gz KLFNDCKRNMUMQS-WMZOPIPTSA-N 2 0 347.507 1.418 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001034398645 709940315 /nfs/dbraw/zinc/94/03/15/709940315.db2.gz PBRVQIOSIJXHDJ-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)cc1 ZINC001034445075 709989969 /nfs/dbraw/zinc/98/99/69/709989969.db2.gz PNFSBMKUORDJPN-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034431767 709999989 /nfs/dbraw/zinc/99/99/89/709999989.db2.gz NZEHMYPUENMQBQ-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490748 710109896 /nfs/dbraw/zinc/10/98/96/710109896.db2.gz MEOYXWQWGJOCLP-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525393 710175456 /nfs/dbraw/zinc/17/54/56/710175456.db2.gz LXRUSGLVFCVHRP-IAGOWNOFSA-N 2 0 346.475 1.513 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCc3ccns3)C2)C1 ZINC001034526089 710177576 /nfs/dbraw/zinc/17/75/76/710177576.db2.gz UAQISDRPZKQIDI-HUUCEWRRSA-N 2 0 336.505 1.608 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034607072 710270452 /nfs/dbraw/zinc/27/04/52/710270452.db2.gz KELBNMXVFLZXRZ-TUVASFSCSA-N 2 0 348.495 1.539 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1 ZINC001034648049 710324660 /nfs/dbraw/zinc/32/46/60/710324660.db2.gz WFMVMSKEFKICPV-KCYZZUKISA-N 2 0 348.495 1.155 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001034654580 710329572 /nfs/dbraw/zinc/32/95/72/710329572.db2.gz YJOYGFPCDYBSEV-XLAORIBOSA-N 2 0 335.492 1.667 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492324 710375151 /nfs/dbraw/zinc/37/51/51/710375151.db2.gz GHGXKOWWJAWZEW-YJBOKZPZSA-N 2 0 337.508 1.745 20 0 EDADRP O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001003495352 710380806 /nfs/dbraw/zinc/38/08/06/710380806.db2.gz WMVFDGCDOJKITH-GOSISDBHSA-N 2 0 337.508 1.747 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001003519080 710396207 /nfs/dbraw/zinc/39/62/07/710396207.db2.gz ZUPMDWPECZTEIL-OAHLLOKOSA-N 2 0 349.475 1.962 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)c1 ZINC001003624086 710453511 /nfs/dbraw/zinc/45/35/11/710453511.db2.gz LAMKUCAPAXTNEW-MRXNPFEDSA-N 2 0 330.476 1.955 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034658775 710587583 /nfs/dbraw/zinc/58/75/83/710587583.db2.gz FSHBCJJNSJEIRK-ULQDDVLXSA-N 2 0 347.507 1.812 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001005594450 710655858 /nfs/dbraw/zinc/65/58/58/710655858.db2.gz YVLRRXKDRBPQQG-ROUUACIJSA-N 2 0 337.508 1.963 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](CCOC3CCC3)CC2)CC1 ZINC001003841534 710675734 /nfs/dbraw/zinc/67/57/34/710675734.db2.gz NJYSXSBMZDORKB-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001034721694 710874250 /nfs/dbraw/zinc/87/42/50/710874250.db2.gz QICYLDNEFHCFOA-WKILWMFISA-N 2 0 334.464 1.842 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001034721734 710886074 /nfs/dbraw/zinc/88/60/74/710886074.db2.gz QUGCYYNBGDROLB-LEUOFYLZSA-N 2 0 337.508 1.913 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)co1 ZINC001034733432 710913724 /nfs/dbraw/zinc/91/37/24/710913724.db2.gz BZXJDWVDESCQDL-FVQBIDKESA-N 2 0 334.464 1.842 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034734657 710916931 /nfs/dbraw/zinc/91/69/31/710916931.db2.gz URYPVRGVYVUMIA-BRSBDYLESA-N 2 0 337.508 1.772 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034739165 710932788 /nfs/dbraw/zinc/93/27/88/710932788.db2.gz YKZBHRXMERRFTB-MWQQHZPXSA-N 2 0 345.491 1.500 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738284 710953582 /nfs/dbraw/zinc/95/35/82/710953582.db2.gz SLJHNAIZDLCFAD-OSMBCOQSSA-N 2 0 334.464 1.698 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032959185 710982935 /nfs/dbraw/zinc/98/29/35/710982935.db2.gz FHPROFBAIOISNH-IEBWSBKVSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1nncn1C ZINC001034776359 711052006 /nfs/dbraw/zinc/05/20/06/711052006.db2.gz QIDKSWUJUJTPIG-KLHDSHLOSA-N 2 0 348.495 1.235 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1nncn1C ZINC001034776360 711052265 /nfs/dbraw/zinc/05/22/65/711052265.db2.gz QIDKSWUJUJTPIG-QKPAOTATSA-N 2 0 348.495 1.235 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001034785211 711086611 /nfs/dbraw/zinc/08/66/11/711086611.db2.gz RURFXUCRHLRAPL-DWRORGKVSA-N 2 0 335.492 1.526 20 0 EDADRP Cc1cnc(CN2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001003977835 711150642 /nfs/dbraw/zinc/15/06/42/711150642.db2.gz YJSJRXVYLIBEFV-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003977977 711153034 /nfs/dbraw/zinc/15/30/34/711153034.db2.gz AMLUBPKVJNJLBK-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnns1 ZINC001034935649 711363822 /nfs/dbraw/zinc/36/38/22/711363822.db2.gz BJJCWFOMAHLRCS-HIFRSBDPSA-N 2 0 337.493 1.492 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)n(C)n1 ZINC001034955026 711421846 /nfs/dbraw/zinc/42/18/46/711421846.db2.gz YFHRLAGSHHKTNP-MSOLQXFVSA-N 2 0 347.507 1.684 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957734 711429754 /nfs/dbraw/zinc/42/97/54/711429754.db2.gz HGDKAVIZLOPKDS-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)ccn1 ZINC001034959464 711434384 /nfs/dbraw/zinc/43/43/84/711434384.db2.gz ZAAWJJLALJEDQA-SJLPKXTDSA-N 2 0 346.475 1.511 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)on1 ZINC001034959863 711435837 /nfs/dbraw/zinc/43/58/37/711435837.db2.gz GVPAZGKZLAUZFB-CZUORRHYSA-N 2 0 336.436 1.104 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1)[NH+]1CCCCC1 ZINC001034938800 711440484 /nfs/dbraw/zinc/44/04/84/711440484.db2.gz SLUGUTJPSUWNBP-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)sn1 ZINC001034939662 711442366 /nfs/dbraw/zinc/44/23/66/711442366.db2.gz JSRVQHBALFQWMI-IIAWOOMASA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)s1 ZINC001034941869 711447122 /nfs/dbraw/zinc/44/71/22/711447122.db2.gz PLVPEXIBEPJYOJ-WBVHZDCISA-N 2 0 348.516 1.874 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004140951 711540351 /nfs/dbraw/zinc/54/03/51/711540351.db2.gz AVFRMFNNMLQEIA-KRWDZBQOSA-N 2 0 344.503 1.785 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922519028 711648787 /nfs/dbraw/zinc/64/87/87/711648787.db2.gz LDLMGPMFUKHSGX-RRFJBIMHSA-N 2 0 328.526 1.594 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476050 711855712 /nfs/dbraw/zinc/85/57/12/711855712.db2.gz BSGRMGMGKADNIU-WMZOPIPTSA-N 2 0 349.519 1.699 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000557570742 306229765 /nfs/dbraw/zinc/22/97/65/306229765.db2.gz QWICOZIPNVKDEQ-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518447 219129988 /nfs/dbraw/zinc/12/99/88/219129988.db2.gz ZKCIUVYUZKNOCV-OAHLLOKOSA-N 2 0 334.464 1.171 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CC[C@@](C)(O)C2)CC1 ZINC000177986658 232050991 /nfs/dbraw/zinc/05/09/91/232050991.db2.gz QDUMAYQPSNAVJY-HXUWFJFHSA-N 2 0 345.487 1.486 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875005 282389326 /nfs/dbraw/zinc/38/93/26/282389326.db2.gz ZSHLVLVZKJNGFA-IRXDYDNUSA-N 2 0 343.537 1.322 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000348000607 282388877 /nfs/dbraw/zinc/38/88/77/282388877.db2.gz XSDVMSXLAPEZEZ-SJORKVTESA-N 2 0 334.508 1.844 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+]1CCOCC1 ZINC000101978729 219178322 /nfs/dbraw/zinc/17/83/22/219178322.db2.gz OWOUJLSTGONMGB-KRWDZBQOSA-N 2 0 342.528 1.763 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000126296030 290795653 /nfs/dbraw/zinc/79/56/53/290795653.db2.gz RNAMPZJHBRSBNJ-ZDUSSCGKSA-N 2 0 325.478 1.587 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561165586 306283553 /nfs/dbraw/zinc/28/35/53/306283553.db2.gz JCYJZDUOVPBESG-NZSAHSFTSA-N 2 0 344.503 1.930 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337691096 539690927 /nfs/dbraw/zinc/69/09/27/539690927.db2.gz URWBCJVZSOODKP-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+]1CCC(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000561493519 306288465 /nfs/dbraw/zinc/28/84/65/306288465.db2.gz BRZRPYPLWPTFAM-UHFFFAOYSA-N 2 0 345.491 1.295 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000342991316 539772531 /nfs/dbraw/zinc/77/25/31/539772531.db2.gz QZPDHVRGHRWIFD-CVEARBPZSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC3(CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000343777238 539796384 /nfs/dbraw/zinc/79/63/84/539796384.db2.gz XVCYSMJHARUACF-BBWFWOEESA-N 2 0 325.497 1.017 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104520364 219393527 /nfs/dbraw/zinc/39/35/27/219393527.db2.gz ZZNZQKFUGWOSJN-MRXNPFEDSA-N 2 0 332.448 1.613 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])CC1 ZINC000562809394 306310033 /nfs/dbraw/zinc/31/00/33/306310033.db2.gz SPBDXEBVSJHCHU-KRWDZBQOSA-N 2 0 339.528 1.029 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412780744 304036876 /nfs/dbraw/zinc/03/68/76/304036876.db2.gz REXJHCFEOYIUJI-KRWDZBQOSA-N 2 0 331.460 1.224 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000373223873 283051265 /nfs/dbraw/zinc/05/12/65/283051265.db2.gz MFDXZGWESGHVGR-QZTJIDSGSA-N 2 0 328.460 1.993 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423775055 291047141 /nfs/dbraw/zinc/04/71/41/291047141.db2.gz ONBVNEIZGNPYEW-ZIAGYGMSSA-N 2 0 341.839 1.339 20 0 EDADRP O=S(=O)(CCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953971 540114110 /nfs/dbraw/zinc/11/41/10/540114110.db2.gz PIKLMBGHRWKKAS-IAGOWNOFSA-N 2 0 337.489 1.322 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000377082384 291062622 /nfs/dbraw/zinc/06/26/22/291062622.db2.gz NDEBVHBVUVCDHU-YQVWRLOYSA-N 2 0 336.524 1.645 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000184228290 235340959 /nfs/dbraw/zinc/34/09/59/235340959.db2.gz FFLYSYLEEMUBCM-UHFFFAOYSA-N 2 0 338.540 1.676 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417809240 283169732 /nfs/dbraw/zinc/16/97/32/283169732.db2.gz GOIFMKLLUJGVLH-OAHLLOKOSA-N 2 0 326.485 1.115 20 0 EDADRP C[N@H+](CC(=O)NC(N)=O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726598 138300473 /nfs/dbraw/zinc/30/04/73/138300473.db2.gz GOXCNKFPUWFQHR-UHFFFAOYSA-N 2 0 332.448 1.415 20 0 EDADRP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000093133456 138291907 /nfs/dbraw/zinc/29/19/07/138291907.db2.gz NJHIGALNFLDTHN-INIZCTEOSA-N 2 0 333.524 1.757 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130524694 138341867 /nfs/dbraw/zinc/34/18/67/138341867.db2.gz AVTLUCMLNBVDLG-INIZCTEOSA-N 2 0 347.507 1.570 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000360117134 283233092 /nfs/dbraw/zinc/23/30/92/283233092.db2.gz BTJRSFZBKKQLTC-KRWDZBQOSA-N 2 0 341.544 1.386 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000564659347 306362626 /nfs/dbraw/zinc/36/26/26/306362626.db2.gz UMPMLPJWCMYYDI-YOEHRIQHSA-N 2 0 329.448 1.045 20 0 EDADRP CC[NH+]1CCC(CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000564722911 306363721 /nfs/dbraw/zinc/36/37/21/306363721.db2.gz XTRVDAUQNAXOAH-UHFFFAOYSA-N 2 0 332.448 1.240 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000564873061 306368116 /nfs/dbraw/zinc/36/81/16/306368116.db2.gz JDQJBFSUBGUTBL-XUVXKRRUSA-N 2 0 331.504 1.596 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000564939108 306370560 /nfs/dbraw/zinc/37/05/60/306370560.db2.gz YXCWOUMATWQWSP-JKSUJKDBSA-N 2 0 339.528 1.171 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000376789921 296016383 /nfs/dbraw/zinc/01/63/83/296016383.db2.gz PEEZBABEQXHQRT-OAHLLOKOSA-N 2 0 333.480 1.568 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000565836621 306393179 /nfs/dbraw/zinc/39/31/79/306393179.db2.gz RIWLFGUAGMDDNJ-KCITZHQASA-N 2 0 345.487 1.780 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](COCc3ccccc3)C2)C1 ZINC000414713024 304131532 /nfs/dbraw/zinc/13/15/32/304131532.db2.gz VEDIQHMARJVOQD-OALUTQOASA-N 2 0 345.487 1.722 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414713617 304131552 /nfs/dbraw/zinc/13/15/52/304131552.db2.gz VZBZGUZMHHYQBY-AWEZNQCLSA-N 2 0 344.459 1.119 20 0 EDADRP C[C@@H]1C[C@H](C[N@H+](Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722601 304132896 /nfs/dbraw/zinc/13/28/96/304132896.db2.gz MUSPXAZIYJRCCI-BRWVUGGUSA-N 3 0 331.508 1.752 20 0 EDADRP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1([NH+]2CCOCC2)CCCC1 ZINC000363566131 296102001 /nfs/dbraw/zinc/10/20/01/296102001.db2.gz NDUXLBQOPRMAIB-WBVHZDCISA-N 2 0 335.492 1.478 20 0 EDADRP COCCOc1ccccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780889 304140095 /nfs/dbraw/zinc/14/00/95/304140095.db2.gz MCNCVOVXFXFJCD-KRWDZBQOSA-N 2 0 334.460 1.899 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC)c1 ZINC000414841569 304146756 /nfs/dbraw/zinc/14/67/56/304146756.db2.gz LHXRHPASPFLLNO-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000415029520 304152023 /nfs/dbraw/zinc/15/20/23/304152023.db2.gz DROQYXNEQRVJCD-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]C[C@H]3CC[C@H](C[NH3+])CC3)cn2)CC1 ZINC000415028215 304152057 /nfs/dbraw/zinc/15/20/57/304152057.db2.gz YHYAAQLBTQVCMP-WKILWMFISA-N 2 0 332.496 1.083 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000415139069 304163587 /nfs/dbraw/zinc/16/35/87/304163587.db2.gz HXXIWCBJRPOGEB-WWGRRREGSA-N 2 0 330.432 1.340 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000415146368 304164630 /nfs/dbraw/zinc/16/46/30/304164630.db2.gz YMCOCGNDVIEUOP-GDBMZVCRSA-N 2 0 344.459 1.430 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236740540 139030094 /nfs/dbraw/zinc/03/00/94/139030094.db2.gz LVNDAUBGNZWYSA-RTBURBONSA-N 2 0 346.519 1.999 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236807653 139032084 /nfs/dbraw/zinc/03/20/84/139032084.db2.gz CDNLKTHFLCDQNJ-NJAFHUGGSA-N 2 0 337.508 1.913 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000237195117 139043753 /nfs/dbraw/zinc/04/37/53/139043753.db2.gz AUDHYHICFPBTOQ-SFHVURJKSA-N 2 0 349.475 1.574 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237215020 139044575 /nfs/dbraw/zinc/04/45/75/139044575.db2.gz AJVXXFKTLVTFOA-SFHVURJKSA-N 2 0 330.476 1.192 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000111230961 220116639 /nfs/dbraw/zinc/11/66/39/220116639.db2.gz MIFPHIDJPIEZSX-WOJBJXKFSA-N 2 0 331.504 1.692 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415194039 304173514 /nfs/dbraw/zinc/17/35/14/304173514.db2.gz ZPUWXUDDFYRXKG-UHFFFAOYSA-N 2 0 334.464 1.664 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)c1 ZINC000237588661 139055025 /nfs/dbraw/zinc/05/50/25/139055025.db2.gz VZQJHCUPUZDOJK-XIRDDKMYSA-N 2 0 344.459 1.660 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1COCCN1 ZINC000237671252 139057517 /nfs/dbraw/zinc/05/75/17/139057517.db2.gz QEZGWXJOOFDWOK-MRXNPFEDSA-N 2 0 337.851 1.409 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000415224502 304176029 /nfs/dbraw/zinc/17/60/29/304176029.db2.gz HGADWMGSCLNTNO-KEYYUXOJSA-N 2 0 344.459 1.730 20 0 EDADRP [NH3+][C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237881376 139062776 /nfs/dbraw/zinc/06/27/76/139062776.db2.gz GXXPRWQKKBODCD-QAPCUYQASA-N 2 0 331.460 1.694 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000237905029 139063458 /nfs/dbraw/zinc/06/34/58/139063458.db2.gz ODGIUZVEQMOEOF-INIZCTEOSA-N 2 0 328.460 1.767 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCCC[NH2+]1 ZINC000238004337 139066103 /nfs/dbraw/zinc/06/61/03/139066103.db2.gz RARXXRGRQKAVEG-OAHLLOKOSA-N 2 0 325.522 1.996 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000415239389 304177595 /nfs/dbraw/zinc/17/75/95/304177595.db2.gz ATCNOWDIHZXVNN-KUHUBIRLSA-N 2 0 344.459 1.589 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000246188678 139098392 /nfs/dbraw/zinc/09/83/92/139098392.db2.gz IEDHEHCYHAZBGZ-MOPGFXCFSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415342707 304198621 /nfs/dbraw/zinc/19/86/21/304198621.db2.gz JUTYJQBXDHORQG-AWEZNQCLSA-N 2 0 344.459 1.082 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)ccc1C[NH+](C)C ZINC000415351035 304201121 /nfs/dbraw/zinc/20/11/21/304201121.db2.gz NBIMKSUDOBLBRN-HUUCEWRRSA-N 2 0 346.475 1.499 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000415370494 304206659 /nfs/dbraw/zinc/20/66/59/304206659.db2.gz DBUXHZHNTBANBL-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368711440 296268553 /nfs/dbraw/zinc/26/85/53/296268553.db2.gz DYAHKIOWOOQFEN-OAGGEKHMSA-N 2 0 331.464 1.412 20 0 EDADRP CC(C)(C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415379994 304209317 /nfs/dbraw/zinc/20/93/17/304209317.db2.gz KKMYRBBZCQLDKE-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000247649773 139153299 /nfs/dbraw/zinc/15/32/99/139153299.db2.gz WHFDKLOCZIDKGN-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc3c(n2)CCC3)(N2CCOCC2)CC1 ZINC000568732391 306487832 /nfs/dbraw/zinc/48/78/32/306487832.db2.gz PSLWRWSNZRDVAQ-UHFFFAOYSA-N 2 0 344.503 1.457 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000430802998 296279480 /nfs/dbraw/zinc/27/94/80/296279480.db2.gz POSGPGVJZKBLSD-OAHLLOKOSA-N 2 0 346.479 1.293 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000248414404 139162651 /nfs/dbraw/zinc/16/26/51/139162651.db2.gz GYCDEAPJRMGNBB-MSOLQXFVSA-N 2 0 332.492 1.951 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000568868759 306491170 /nfs/dbraw/zinc/49/11/70/306491170.db2.gz HBLMDBWUIILDCZ-CABCVRRESA-N 2 0 337.489 1.877 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3OCCOC)C2)CC1 ZINC000093133219 218196210 /nfs/dbraw/zinc/19/62/10/218196210.db2.gz SXGRCBLPIFICFO-IBGZPJMESA-N 2 0 347.503 1.924 20 0 EDADRP C[C@@H]1CN(CCN(C)C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249461251 139193695 /nfs/dbraw/zinc/19/36/95/139193695.db2.gz ZLYWJGYJBMWJLB-QUCCMNQESA-N 2 0 347.503 1.276 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2C1 ZINC000415418117 304219093 /nfs/dbraw/zinc/21/90/93/304219093.db2.gz NZLGMUJNLGEDHB-ZIAGYGMSSA-N 2 0 346.475 1.791 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H](C[NH3+])C3CC3)ccc21 ZINC000415447614 304221027 /nfs/dbraw/zinc/22/10/27/304221027.db2.gz HNNIFOQPBVJJEA-JKSUJKDBSA-N 2 0 330.432 1.028 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261621504 139211883 /nfs/dbraw/zinc/21/18/83/139211883.db2.gz CENGGAUIJUMUPI-QZTJIDSGSA-N 2 0 331.460 1.521 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000261625396 139212260 /nfs/dbraw/zinc/21/22/60/139212260.db2.gz BIZHBUVBATZCIZ-XYPWUTKMSA-N 2 0 337.489 1.652 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NC(=O)NC1CCCCC1 ZINC000261611986 139210824 /nfs/dbraw/zinc/21/08/24/139210824.db2.gz DUOLXLDKCXNEEO-INIZCTEOSA-N 2 0 336.480 1.609 20 0 EDADRP O=C(CN1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(F)c(Cl)c1 ZINC000261640059 139213499 /nfs/dbraw/zinc/21/34/99/139213499.db2.gz DTWCRJJFPGCMAL-ZDUSSCGKSA-N 2 0 340.830 1.397 20 0 EDADRP COc1ccc(C[NH+]2CCC(c3nnc4n3CCNC4)CC2)cc1F ZINC000261649826 139214396 /nfs/dbraw/zinc/21/43/96/139214396.db2.gz DXRMGNZHBFZZCF-UHFFFAOYSA-N 2 0 345.422 1.909 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1C ZINC000261723595 139220611 /nfs/dbraw/zinc/22/06/11/139220611.db2.gz QZGFVEDVSNJDML-UHFFFAOYSA-N 2 0 330.476 1.247 20 0 EDADRP COc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261723675 139220730 /nfs/dbraw/zinc/22/07/30/139220730.db2.gz RADBFPPXDDTNQY-DOTOQJQBSA-N 2 0 331.460 1.775 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000261727103 139220920 /nfs/dbraw/zinc/22/09/20/139220920.db2.gz RHOPISABGHQWMP-UHFFFAOYSA-N 2 0 333.476 1.900 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000261730009 139221237 /nfs/dbraw/zinc/22/12/37/139221237.db2.gz LUMMQZOLEIXEBY-SFHVURJKSA-N 2 0 345.491 1.017 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)O1 ZINC000261735036 139221730 /nfs/dbraw/zinc/22/17/30/139221730.db2.gz KBSXNHKSBBLSPW-KOZAUXTDSA-N 2 0 339.386 1.033 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000261754719 139223308 /nfs/dbraw/zinc/22/33/08/139223308.db2.gz PILJNDPNWUGXKY-GDBMZVCRSA-N 2 0 339.505 1.777 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261793022 139226481 /nfs/dbraw/zinc/22/64/81/139226481.db2.gz NSLLOXQVAVMDBP-BEFAXECRSA-N 2 0 346.475 1.100 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000261817748 139228652 /nfs/dbraw/zinc/22/86/52/139228652.db2.gz HNQJEEPRZIBAPK-OAHLLOKOSA-N 2 0 331.460 1.972 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000261823860 139229277 /nfs/dbraw/zinc/22/92/77/139229277.db2.gz SWKPAMOKDMYJRR-HNNXBMFYSA-N 2 0 340.265 1.835 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2scnc2C2CC2)C1)N1CC[NH2+]CC1 ZINC000261922945 139237350 /nfs/dbraw/zinc/23/73/50/139237350.db2.gz KRWXTBDXIDNPSY-CQSZACIVSA-N 2 0 334.489 1.664 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000261967565 139240469 /nfs/dbraw/zinc/24/04/69/139240469.db2.gz BVQBRWFTFSVYCZ-KRWDZBQOSA-N 2 0 331.460 1.428 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000262067862 139248160 /nfs/dbraw/zinc/24/81/60/139248160.db2.gz SEVZKKLNPBUXQT-JLSDUUJJSA-N 2 0 331.460 1.692 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262112804 139251961 /nfs/dbraw/zinc/25/19/61/139251961.db2.gz FLJXZDBHZMKZLH-FZMWSMFESA-N 2 0 347.507 1.206 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415472400 250957919 /nfs/dbraw/zinc/95/79/19/250957919.db2.gz WRNTVHKZRHNYGU-QGZVFWFLSA-N 2 0 344.459 1.213 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCOCC1 ZINC000187781306 272952898 /nfs/dbraw/zinc/95/28/98/272952898.db2.gz IEMKNCAPAWMFAD-GOSISDBHSA-N 2 0 348.491 1.365 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000262200888 139259433 /nfs/dbraw/zinc/25/94/33/139259433.db2.gz IEXCVBHOLWCNGS-SFHVURJKSA-N 2 0 345.487 1.913 20 0 EDADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262184219 139258215 /nfs/dbraw/zinc/25/82/15/139258215.db2.gz XGUBLMXXVCQKCG-DOTOQJQBSA-N 2 0 347.459 1.106 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415765112 251022547 /nfs/dbraw/zinc/02/25/47/251022547.db2.gz USFVUBVPNFZYAK-HNNXBMFYSA-N 2 0 346.475 1.507 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000415570751 304228082 /nfs/dbraw/zinc/22/80/82/304228082.db2.gz SRUUVHBBTNHZEO-IIYDPXPESA-N 2 0 344.459 1.383 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416009533 251046650 /nfs/dbraw/zinc/04/66/50/251046650.db2.gz PIQJOTHDJMBFFF-NWDGAFQWSA-N 2 0 340.390 1.018 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000416833255 251111620 /nfs/dbraw/zinc/11/16/20/251111620.db2.gz CKRLBOFMPVPDOM-IRXDYDNUSA-N 2 0 334.464 1.221 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC(C)(C)[NH3+])cc2)CC1 ZINC000416990142 251118808 /nfs/dbraw/zinc/11/88/08/251118808.db2.gz MZKFZEOJWQEBRE-UHFFFAOYSA-N 2 0 347.507 1.361 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)Cc1ccccc1 ZINC000417012897 251129870 /nfs/dbraw/zinc/12/98/70/251129870.db2.gz XYCJZAOQDFVYOZ-FUHWJXTLSA-N 2 0 332.492 1.943 20 0 EDADRP [NH3+]C1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000417012466 251130523 /nfs/dbraw/zinc/13/05/23/251130523.db2.gz ADFOIXSUNCATCJ-UHFFFAOYSA-N 2 0 345.491 1.331 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)cc1 ZINC000417000687 251124408 /nfs/dbraw/zinc/12/44/08/251124408.db2.gz ZAJCDQOXGKXACJ-CRAIPNDOSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000417175048 251145222 /nfs/dbraw/zinc/14/52/22/251145222.db2.gz ANJPXBRFBSPOPZ-MAUKXSAKSA-N 2 0 332.492 1.928 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000417309047 251154418 /nfs/dbraw/zinc/15/44/18/251154418.db2.gz DDFJMPNLMOJKDB-LZQZEXGQSA-N 2 0 342.487 1.969 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000417317353 251155463 /nfs/dbraw/zinc/15/54/63/251155463.db2.gz WKNQXWYZFIHCPZ-OCCSQVGLSA-N 2 0 344.406 1.959 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@H](OC)C[C@@H]2C[NH3+])c1 ZINC000417400469 251163031 /nfs/dbraw/zinc/16/30/31/251163031.db2.gz KAFSBIIKNKOAEY-MSOLQXFVSA-N 2 0 348.491 1.786 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417557314 251186408 /nfs/dbraw/zinc/18/64/08/251186408.db2.gz RGIZOXVJRWJHCL-WMZOPIPTSA-N 2 0 340.512 1.709 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417445450 251176115 /nfs/dbraw/zinc/17/61/15/251176115.db2.gz GYAMEZFMUGJHNZ-USXIJHARSA-N 2 0 340.512 1.645 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1CC[NH2+]C1 ZINC000417590673 251200555 /nfs/dbraw/zinc/20/05/55/251200555.db2.gz HSSYRKMGCGQKMA-QGZVFWFLSA-N 2 0 346.475 1.570 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000417596955 251202091 /nfs/dbraw/zinc/20/20/91/251202091.db2.gz RMIVUBMNMONFMJ-ROUUACIJSA-N 2 0 347.507 1.355 20 0 EDADRP [NH3+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417647263 251212540 /nfs/dbraw/zinc/21/25/40/251212540.db2.gz HEHZECJTXREITL-ZDUSSCGKSA-N 2 0 330.354 1.538 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417670618 251223297 /nfs/dbraw/zinc/22/32/97/251223297.db2.gz OMXLUVSPYBBFMB-OWCLPIDISA-N 2 0 326.485 1.175 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417674587 251224715 /nfs/dbraw/zinc/22/47/15/251224715.db2.gz ZVSUKLXEFGPTQI-QYZOEREBSA-N 2 0 342.487 1.902 20 0 EDADRP COC[C@]1(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000417826161 251286635 /nfs/dbraw/zinc/28/66/35/251286635.db2.gz MLWTXIFMQPUWBH-HKUYNNGSSA-N 2 0 327.428 1.582 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000417830455 251288806 /nfs/dbraw/zinc/28/88/06/251288806.db2.gz GYSHREXESDUDOW-HOTGVXAUSA-N 2 0 346.475 1.427 20 0 EDADRP CC(C)(C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@H]([NH3+])c1ccccc1 ZINC000417836437 251291810 /nfs/dbraw/zinc/29/18/10/251291810.db2.gz ORSZRWFQBBREFB-IAGOWNOFSA-N 2 0 345.487 1.927 20 0 EDADRP COC[C@]1(CNC(=O)NCCC[NH+](C(C)C)C(C)C)CCC[NH2+]1 ZINC000417803716 251277210 /nfs/dbraw/zinc/27/72/10/251277210.db2.gz WZJJNFZHRJMFGE-QGZVFWFLSA-N 2 0 328.501 1.563 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000417825098 251284055 /nfs/dbraw/zinc/28/40/55/251284055.db2.gz CEXSNRREZIMVHR-HUUCEWRRSA-N 2 0 327.432 1.697 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N(C)C1C[NH2+]C1 ZINC000417886902 251314026 /nfs/dbraw/zinc/31/40/26/251314026.db2.gz HSSRZBGZXLTQBH-HUUCEWRRSA-N 2 0 330.476 1.756 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000262503924 139283013 /nfs/dbraw/zinc/28/30/13/139283013.db2.gz AXWMOBXQTAUOGR-SWLSCSKDSA-N 2 0 329.366 1.904 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418110684 251324545 /nfs/dbraw/zinc/32/45/45/251324545.db2.gz WPPZFASJZWDIPE-MJGOQNOKSA-N 2 0 330.476 1.889 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000418109620 251325529 /nfs/dbraw/zinc/32/55/29/251325529.db2.gz VAKRDGQTKRJWBR-HUUCEWRRSA-N 2 0 340.418 1.790 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418429695 251368027 /nfs/dbraw/zinc/36/80/27/251368027.db2.gz SKXRTLFXBDDHJD-IAGOWNOFSA-N 2 0 348.491 1.439 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418426401 251368823 /nfs/dbraw/zinc/36/88/23/251368823.db2.gz LWLGGXLKWBRLIL-KZNAEPCWSA-N 2 0 348.491 1.294 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000418194483 251353325 /nfs/dbraw/zinc/35/33/25/251353325.db2.gz FJXSULSCIXOULZ-KRWDZBQOSA-N 2 0 334.464 1.691 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000418408121 251365377 /nfs/dbraw/zinc/36/53/77/251365377.db2.gz UEGFCXFNQJKHQP-ULQDDVLXSA-N 2 0 332.448 1.177 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418707410 251389510 /nfs/dbraw/zinc/38/95/10/251389510.db2.gz IGINDWMGBYQVJT-ZFWWWQNUSA-N 2 0 340.418 1.885 20 0 EDADRP Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@H](C)[C@@H](C)[NH3+])on1 ZINC000418708148 251390623 /nfs/dbraw/zinc/39/06/23/251390623.db2.gz UEJUXWLWLYEPPF-MQYQWHSLSA-N 2 0 341.431 1.273 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418720147 251396821 /nfs/dbraw/zinc/39/68/21/251396821.db2.gz LGELOZDINZUTRL-HOTGVXAUSA-N 2 0 328.501 1.504 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418532585 251377815 /nfs/dbraw/zinc/37/78/15/251377815.db2.gz XSTUQXHMLFNWPI-GOSISDBHSA-N 2 0 332.492 1.802 20 0 EDADRP CC(C)[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000418677005 251384497 /nfs/dbraw/zinc/38/44/97/251384497.db2.gz AGUOFQAEABAIDL-RCCFBDPRSA-N 2 0 330.476 1.724 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000262653187 139293386 /nfs/dbraw/zinc/29/33/86/139293386.db2.gz SKOWZBYBAQZIMT-GOSISDBHSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262701677 139297352 /nfs/dbraw/zinc/29/73/52/139297352.db2.gz CKABERUWFMSKLB-BRWVUGGUSA-N 2 0 347.507 1.905 20 0 EDADRP O=C1CC[C@@H]([NH2+][C@@H]2CCc3ccccc3C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000333101620 296325578 /nfs/dbraw/zinc/32/55/78/296325578.db2.gz DWHATEATISHZNG-GGPKGHCWSA-N 2 0 327.472 1.780 20 0 EDADRP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000153137186 224063810 /nfs/dbraw/zinc/06/38/10/224063810.db2.gz XFVIGPWZHRIUNM-HNNXBMFYSA-N 2 0 349.475 1.560 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262886051 139310427 /nfs/dbraw/zinc/31/04/27/139310427.db2.gz ZMVKNNGLQQYIDL-HNNXBMFYSA-N 2 0 333.480 1.800 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044101 252027920 /nfs/dbraw/zinc/02/79/20/252027920.db2.gz ATOCPWVCKZOQIX-WBVHZDCISA-N 2 0 337.489 1.834 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423093769 252036921 /nfs/dbraw/zinc/03/69/21/252036921.db2.gz AJDWBUGCFMFGPS-JTQLQIEISA-N 2 0 337.848 1.474 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423176324 252041915 /nfs/dbraw/zinc/04/19/15/252041915.db2.gz GRGSQMZVFCMHJC-QUCCMNQESA-N 2 0 330.520 1.782 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(C(=O)NC[C@H]2CCCO2)c1 ZINC000422908412 252019201 /nfs/dbraw/zinc/01/92/01/252019201.db2.gz YLNCWVKFDQVPQO-RCCFBDPRSA-N 2 0 331.460 1.812 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262911985 139312377 /nfs/dbraw/zinc/31/23/77/139312377.db2.gz YQJVYYCQXNJPRA-CYBMUJFWSA-N 2 0 332.448 1.450 20 0 EDADRP C[C@@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@@H]([NH3+])c1ccccc1 ZINC000424035179 252121703 /nfs/dbraw/zinc/12/17/03/252121703.db2.gz DVGRDGWKAKCMED-NRSFXHEJSA-N 2 0 343.471 1.550 20 0 EDADRP [NH3+][C@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000423791268 252076168 /nfs/dbraw/zinc/07/61/68/252076168.db2.gz HIFMVLILYNCEME-SFHVURJKSA-N 2 0 337.508 1.855 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424144842 252142769 /nfs/dbraw/zinc/14/27/69/252142769.db2.gz MFQDOTHZWKZTMV-HOTGVXAUSA-N 2 0 346.479 1.197 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)[C@@H](C)C1 ZINC000424146403 252143630 /nfs/dbraw/zinc/14/36/30/252143630.db2.gz PPQHJEZFJWAMPF-LZWOXQAQSA-N 2 0 334.468 1.005 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424149650 252145102 /nfs/dbraw/zinc/14/51/02/252145102.db2.gz WZTQVBRBARNGEJ-HNNXBMFYSA-N 2 0 342.447 1.825 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180289 252154176 /nfs/dbraw/zinc/15/41/76/252154176.db2.gz NXCIITUZBPAEHA-IAGOWNOFSA-N 2 0 325.497 1.853 20 0 EDADRP COC(=O)c1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424300514 252192705 /nfs/dbraw/zinc/19/27/05/252192705.db2.gz WMNMBMHICZNBRA-AWEZNQCLSA-N 2 0 345.443 1.876 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424383780 252204559 /nfs/dbraw/zinc/20/45/59/252204559.db2.gz UMLVENZYRGLIHR-OAHLLOKOSA-N 2 0 347.507 1.529 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424439701 252231115 /nfs/dbraw/zinc/23/11/15/252231115.db2.gz OSODKHXUXPTFPK-ZFWWWQNUSA-N 2 0 346.475 1.629 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111865165 285033698 /nfs/dbraw/zinc/03/36/98/285033698.db2.gz IEYMBNFBFHQOSP-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000121188829 285034536 /nfs/dbraw/zinc/03/45/36/285034536.db2.gz MBDCRNANJFWQRY-IRXDYDNUSA-N 2 0 340.512 1.374 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415663880 304251571 /nfs/dbraw/zinc/25/15/71/304251571.db2.gz ZJKHRPHIYQICHB-CQSZACIVSA-N 2 0 346.475 1.376 20 0 EDADRP CC(C)NC(=O)NCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000569924304 306525197 /nfs/dbraw/zinc/52/51/97/306525197.db2.gz UQUMZASVVROKMC-HOTGVXAUSA-N 2 0 340.512 1.515 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112464657 220333409 /nfs/dbraw/zinc/33/34/09/220333409.db2.gz LMUQAYNYOBSKHW-KRWDZBQOSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CC[NH+]2CCCC2)C[C@H](C)O1 ZINC000112741889 220392071 /nfs/dbraw/zinc/39/20/71/220392071.db2.gz OWOWGPDULKEBCM-IYBDPMFKSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000341994226 285195308 /nfs/dbraw/zinc/19/53/08/285195308.db2.gz LHOXBVBHBBXMPZ-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333554920 285210062 /nfs/dbraw/zinc/21/00/62/285210062.db2.gz PTXLCMPHQXRAHN-UHFFFAOYSA-N 2 0 334.508 1.877 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000471646685 255015010 /nfs/dbraw/zinc/01/50/10/255015010.db2.gz WNQQVELDWGEOQZ-UHFFFAOYSA-N 2 0 326.485 1.082 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955103 285247808 /nfs/dbraw/zinc/24/78/08/285247808.db2.gz SUPNSPYICTVVPQ-HUUCEWRRSA-N 2 0 327.469 1.060 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495430729 255284710 /nfs/dbraw/zinc/28/47/10/255284710.db2.gz YGLBBCUENWKHAW-OAHLLOKOSA-N 2 0 342.528 1.905 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000495039665 255266618 /nfs/dbraw/zinc/26/66/18/255266618.db2.gz ZZXCOAIHOKGLEY-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000495155340 255270912 /nfs/dbraw/zinc/27/09/12/255270912.db2.gz ZHTCBDIFHPCNEG-WQANXHIZSA-N 2 0 327.472 1.664 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495615160 255310102 /nfs/dbraw/zinc/31/01/02/255310102.db2.gz FYDHQROOKOERMB-HNNXBMFYSA-N 2 0 341.496 1.944 20 0 EDADRP CN(C[C@H](O)C[NH2+]CCC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000496177385 255361674 /nfs/dbraw/zinc/36/16/74/255361674.db2.gz WMJQWKJZWHOLCT-OAHLLOKOSA-N 2 0 329.485 1.536 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581027 285276348 /nfs/dbraw/zinc/27/63/48/285276348.db2.gz NUAYREZRRGJAIE-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCSC1 ZINC000341453884 285278374 /nfs/dbraw/zinc/27/83/74/285278374.db2.gz AWGKUZDVXRQKFO-GJZGRUSLSA-N 2 0 328.526 1.549 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C(F)(F)F ZINC000344637544 285278673 /nfs/dbraw/zinc/27/86/73/285278673.db2.gz YTXVOOCXWUVWQA-STQMWFEESA-N 2 0 338.418 1.995 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C(C)C ZINC000118118844 221122531 /nfs/dbraw/zinc/12/25/31/221122531.db2.gz ZJHUNDVFEAVEHX-UHFFFAOYSA-N 2 0 348.491 1.576 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417744179 285319704 /nfs/dbraw/zinc/31/97/04/285319704.db2.gz DPMPCMIKVLLAOB-BRWVUGGUSA-N 2 0 339.528 1.171 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000119202007 221264691 /nfs/dbraw/zinc/26/46/91/221264691.db2.gz RJRQEVMEJKOGOC-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000570683655 306548637 /nfs/dbraw/zinc/54/86/37/306548637.db2.gz ACVFLAPQCVKNOU-CGTJXYLNSA-N 2 0 335.492 1.523 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415909455 304284834 /nfs/dbraw/zinc/28/48/34/304284834.db2.gz GDMHFLVRSHVMSZ-MRXNPFEDSA-N 2 0 347.507 1.801 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415888195 304284416 /nfs/dbraw/zinc/28/44/16/304284416.db2.gz ZFTQYWJFRGFTAX-SFHVURJKSA-N 2 0 346.475 1.547 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415906798 304284916 /nfs/dbraw/zinc/28/49/16/304284916.db2.gz YUFDBNNXSMFMFN-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP Cc1nnccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269894878 140014524 /nfs/dbraw/zinc/01/45/24/140014524.db2.gz FUKOIZKJMDROSV-UHFFFAOYSA-N 2 0 340.431 1.122 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000270848699 140182439 /nfs/dbraw/zinc/18/24/39/140182439.db2.gz LPBBEMBSUMOUOY-FGTMMUONSA-N 2 0 331.460 1.080 20 0 EDADRP CC[C@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000332222206 141142779 /nfs/dbraw/zinc/14/27/79/141142779.db2.gz KRXMICXKWMURAX-QGZVFWFLSA-N 2 0 346.475 1.743 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@H]1[NH3+] ZINC000332312883 141160678 /nfs/dbraw/zinc/16/06/78/141160678.db2.gz TZXQWMHJPQTHDU-CYGHRXIMSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000332543426 141199912 /nfs/dbraw/zinc/19/99/12/141199912.db2.gz LXDNNGGYIWKCOF-HOCLYGCPSA-N 2 0 331.464 1.962 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000333235393 141285439 /nfs/dbraw/zinc/28/54/39/141285439.db2.gz CXNMBGBSUQBWTL-GOEBONIOSA-N 2 0 331.526 1.558 20 0 EDADRP Cn1ccnc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1=O ZINC000333256407 141288437 /nfs/dbraw/zinc/28/84/37/141288437.db2.gz HZBXSMYWFGUSRN-VVLHAWIVSA-N 2 0 345.491 1.259 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000333324340 141299380 /nfs/dbraw/zinc/29/93/80/141299380.db2.gz QGUQIJYTSMCRRX-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3=CC[NH2+]CC3)CC2)cc1 ZINC000572234623 306583534 /nfs/dbraw/zinc/58/35/34/306583534.db2.gz QYXSJXRZGCWPII-UHFFFAOYSA-N 2 0 349.500 1.657 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000333430189 141316390 /nfs/dbraw/zinc/31/63/90/141316390.db2.gz UKSBAQIBJKYGNA-SDNTUTLCSA-N 2 0 336.480 1.149 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333590790 141341561 /nfs/dbraw/zinc/34/15/61/141341561.db2.gz VDLLTYHFKGCZEW-UHFFFAOYSA-N 2 0 334.508 1.781 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000333626008 141346900 /nfs/dbraw/zinc/34/69/00/141346900.db2.gz FVAGYFFUOQAZTM-BHYGNILZSA-N 2 0 334.439 1.652 20 0 EDADRP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000333701013 141361378 /nfs/dbraw/zinc/36/13/78/141361378.db2.gz QUYTXKNXMLGDET-HRCADAONSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333811933 141385902 /nfs/dbraw/zinc/38/59/02/141385902.db2.gz FVRLYTIWEVSDTA-NXHRZFHOSA-N 2 0 337.508 1.996 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339587383 142084953 /nfs/dbraw/zinc/08/49/53/142084953.db2.gz XBARPADTRKMBKP-UHFFFAOYSA-N 2 0 340.512 1.215 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000339639402 142103772 /nfs/dbraw/zinc/10/37/72/142103772.db2.gz RWROVXZCGXYWDU-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]([NH3+])CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000340177134 142292694 /nfs/dbraw/zinc/29/26/94/142292694.db2.gz LVXDIHUNWOGRBN-CQSZACIVSA-N 2 0 338.883 1.706 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1[NH+](C)C ZINC000340799991 142486372 /nfs/dbraw/zinc/48/63/72/142486372.db2.gz LVKOAGQVWRKHMJ-BBRMVZONSA-N 2 0 332.448 1.095 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCC[NH+](C)[C@@H]3C)CC2)CCO1 ZINC000345780984 143132724 /nfs/dbraw/zinc/13/27/24/143132724.db2.gz MZTAUSOYJBMXHG-INMHGKMJSA-N 2 0 338.496 1.364 20 0 EDADRP COC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000163618187 292094300 /nfs/dbraw/zinc/09/43/00/292094300.db2.gz WHIVQXSPERNRMP-QGZVFWFLSA-N 2 0 331.460 1.708 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC2CC[NH+](C(C)C)CC2)[N@H+](C)C1 ZINC000345859655 143140493 /nfs/dbraw/zinc/14/04/93/143140493.db2.gz DNQKYAZUSSGHJL-HZPDHXFCSA-N 2 0 326.485 1.220 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[C@@H]([NH3+])C1 ZINC000346058039 143162796 /nfs/dbraw/zinc/16/27/96/143162796.db2.gz DCCLIJDUKGDMOX-SJLPKXTDSA-N 2 0 344.503 1.579 20 0 EDADRP COC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000163618088 292094005 /nfs/dbraw/zinc/09/40/05/292094005.db2.gz WHIVQXSPERNRMP-KRWDZBQOSA-N 2 0 331.460 1.708 20 0 EDADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000346661425 143228145 /nfs/dbraw/zinc/22/81/45/143228145.db2.gz BADQATVQCAWRDO-RDJZCZTQSA-N 2 0 346.475 1.561 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346933203 143263078 /nfs/dbraw/zinc/26/30/78/143263078.db2.gz DCIJJDIEHINBKE-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CN(CC(=O)N1CC[NH2+]CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000347041601 143275357 /nfs/dbraw/zinc/27/53/57/143275357.db2.gz LEUVKDUWLVIMEU-UHFFFAOYSA-N 2 0 346.519 1.508 20 0 EDADRP CCN1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)[C@@H](C)C1 ZINC000347273444 143302683 /nfs/dbraw/zinc/30/26/83/143302683.db2.gz QWLGSTIFWWDZCB-WDSOQIARSA-N 2 0 346.519 1.205 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000347978997 143386867 /nfs/dbraw/zinc/38/68/67/143386867.db2.gz QOXAYGNZNZXCEX-HOTGVXAUSA-N 2 0 340.512 1.163 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987912 285807169 /nfs/dbraw/zinc/80/71/69/285807169.db2.gz FDMHNPGMGBBNIZ-ZWKOTPCHSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000369723464 155151281 /nfs/dbraw/zinc/15/12/81/155151281.db2.gz XAPDDQQMIITWLW-LJQANCHMSA-N 2 0 345.487 1.956 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000369823447 155190662 /nfs/dbraw/zinc/19/06/62/155190662.db2.gz AKZYIXISIOVANT-UHFFFAOYSA-N 2 0 338.540 1.201 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416964639 304356227 /nfs/dbraw/zinc/35/62/27/304356227.db2.gz WHVZLVRPKKURRL-CVEARBPZSA-N 2 0 326.485 1.175 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000573578146 306625267 /nfs/dbraw/zinc/62/52/67/306625267.db2.gz HNVJRYKEHISBGB-DLBZAZTESA-N 2 0 339.505 1.874 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416973649 304358739 /nfs/dbraw/zinc/35/87/39/304358739.db2.gz JLSHJHVVDGXMQY-RHSMWYFYSA-N 2 0 334.464 1.424 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416979345 304360100 /nfs/dbraw/zinc/36/01/00/304360100.db2.gz SDTMOAJAZICJQS-CRAIPNDOSA-N 2 0 330.476 1.825 20 0 EDADRP C[N@H+](CCCN1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354880738 150009290 /nfs/dbraw/zinc/00/92/90/150009290.db2.gz MNQFADMSINOBIO-UHFFFAOYSA-N 2 0 332.492 1.952 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NCC(C)(C)[NH3+])cc1 ZINC000416981252 304360815 /nfs/dbraw/zinc/36/08/15/304360815.db2.gz CJOKOSOGJLPTGO-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000416983472 304361318 /nfs/dbraw/zinc/36/13/18/304361318.db2.gz GBIHMKCZIHUNIT-QGZVFWFLSA-N 2 0 348.491 1.897 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031463 304362739 /nfs/dbraw/zinc/36/27/39/304362739.db2.gz XLMLIYXBWVEIFL-QZTJIDSGSA-N 2 0 345.491 1.026 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417038509 304364277 /nfs/dbraw/zinc/36/42/77/304364277.db2.gz IUUPMJOUDCMZEP-BBWFWOEESA-N 2 0 340.512 1.504 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417042657 304365209 /nfs/dbraw/zinc/36/52/09/304365209.db2.gz LUUKIMNNGKEBPI-IXDOHACOSA-N 2 0 340.512 1.789 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC(C)(C)[NH3+])CC2)c1 ZINC000417047640 304366691 /nfs/dbraw/zinc/36/66/91/304366691.db2.gz DFCMGHYSEQAITI-UHFFFAOYSA-N 2 0 347.507 1.544 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C(C)C)C1 ZINC000357659630 151105467 /nfs/dbraw/zinc/10/54/67/151105467.db2.gz QUFQBLAUDFPORX-IRXDYDNUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)(CNC(=O)NCC1CC[NH+](CCO)CC1)C[NH+]1CCCC1 ZINC000358244698 151316340 /nfs/dbraw/zinc/31/63/40/151316340.db2.gz FENDLFIXKQKSMD-UHFFFAOYSA-N 2 0 340.512 1.112 20 0 EDADRP CCOCCCN1CC[C@@H]([NH2+]CC2CCS(=O)(=O)CC2)[C@H](C)C1 ZINC000358373460 151354213 /nfs/dbraw/zinc/35/42/13/151354213.db2.gz DLTAZVLRAOOPNB-NVXWUHKLSA-N 2 0 346.537 1.538 20 0 EDADRP CSC1(CNC(=O)N(C)CC[N@H+](C)C2CC2)CC[NH+](C)CC1 ZINC000360663096 152143068 /nfs/dbraw/zinc/14/30/68/152143068.db2.gz CLMOWWNKMRWARV-UHFFFAOYSA-N 2 0 328.526 1.549 20 0 EDADRP Cc1nn(C)c(C)c1[C@H](C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000360896468 152244254 /nfs/dbraw/zinc/24/42/54/152244254.db2.gz HFFLFZJVFNNPEI-ZDUSSCGKSA-N 2 0 335.496 1.283 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081276 152297767 /nfs/dbraw/zinc/29/77/67/152297767.db2.gz QPPRYPNDYVOWPO-DLBZAZTESA-N 2 0 331.460 1.745 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354135 152369632 /nfs/dbraw/zinc/36/96/32/152369632.db2.gz WHPZBJKNQQBGHV-SJLPKXTDSA-N 2 0 334.508 1.523 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)CC1 ZINC000364201602 153172019 /nfs/dbraw/zinc/17/20/19/153172019.db2.gz OHQVGQFAFDWCCQ-ROUUACIJSA-N 2 0 348.466 1.106 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C12CCOCC2 ZINC000186328451 286394822 /nfs/dbraw/zinc/39/48/22/286394822.db2.gz LJJJEVZZPULWFH-YESZJQIVSA-N 2 0 325.497 1.186 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C12CCOCC2 ZINC000248992741 286401584 /nfs/dbraw/zinc/40/15/84/286401584.db2.gz LJJJEVZZPULWFH-IXDOHACOSA-N 2 0 325.497 1.186 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000366563715 153855761 /nfs/dbraw/zinc/85/57/61/153855761.db2.gz FCVPMGXSBBWIKC-HKUYNNGSSA-N 2 0 342.487 1.653 20 0 EDADRP c1cn2c(n1)[C@H](CNN1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000367349294 154084681 /nfs/dbraw/zinc/08/46/81/154084681.db2.gz NTMXNWPYPPXJIP-SJORKVTESA-N 2 0 333.480 1.309 20 0 EDADRP C[N@H+](CCCOC(=O)NC(N)=O)C1CCN(c2ccccn2)CC1 ZINC000367370614 154091131 /nfs/dbraw/zinc/09/11/31/154091131.db2.gz FGCYQCOJLSWSNG-UHFFFAOYSA-N 2 0 335.408 1.177 20 0 EDADRP CC1CC[NH+](CC2CCN(C(=O)C3(C[NH3+])CCOCC3)CC2)CC1 ZINC000367462995 154133340 /nfs/dbraw/zinc/13/33/40/154133340.db2.gz JFSITFNAMZVJJN-UHFFFAOYSA-N 2 0 337.508 1.712 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CSCC[NH2+]2)cc1 ZINC000367595026 154193122 /nfs/dbraw/zinc/19/31/22/154193122.db2.gz UVOHQYYSYKYEKK-XIRDDKMYSA-N 2 0 349.500 1.352 20 0 EDADRP CN[C@H](C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000367652510 154215215 /nfs/dbraw/zinc/21/52/15/154215215.db2.gz FCXPRCALZCSGFT-UHOFOFEASA-N 2 0 347.488 1.551 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000417371999 304395226 /nfs/dbraw/zinc/39/52/26/304395226.db2.gz WJJAOLBUGLZNAZ-GOEBONIOSA-N 2 0 334.464 1.554 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000369633344 155116685 /nfs/dbraw/zinc/11/66/85/155116685.db2.gz ZENSGMMESUHLMJ-KGLIPLIRSA-N 2 0 326.510 1.207 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000371818527 156120497 /nfs/dbraw/zinc/12/04/97/156120497.db2.gz IBAQSTKRYYZLLY-KRWDZBQOSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000371907994 156162884 /nfs/dbraw/zinc/16/28/84/156162884.db2.gz XJRIBODWRJRBEA-GOEBONIOSA-N 2 0 333.480 1.744 20 0 EDADRP CCCN1CC[NH+](C2CCN(Cc3nc(CC)cc(=O)[nH]3)CC2)CC1 ZINC000371961798 156185482 /nfs/dbraw/zinc/18/54/82/156185482.db2.gz ZPKJLJLUWGPKFA-UHFFFAOYSA-N 2 0 347.507 1.737 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523042 304402947 /nfs/dbraw/zinc/40/29/47/304402947.db2.gz HNVQOHOCGMAQDA-RDJZCZTQSA-N 2 0 348.491 1.548 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000374512802 157314479 /nfs/dbraw/zinc/31/44/79/157314479.db2.gz FMRGCPHMYIXWBI-UHFFFAOYSA-N 2 0 331.460 1.843 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000375973894 157704000 /nfs/dbraw/zinc/70/40/00/157704000.db2.gz IHGNTEJXIWOTIS-PKOBYXMFSA-N 2 0 331.460 1.633 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000378120468 158083851 /nfs/dbraw/zinc/08/38/51/158083851.db2.gz HUQSIFHGAWCGRV-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000378158740 158096119 /nfs/dbraw/zinc/09/61/19/158096119.db2.gz FWPTVORMJPWZGS-KRWDZBQOSA-N 2 0 336.524 1.667 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CCCCCC2)CC1 ZINC000378203888 158107754 /nfs/dbraw/zinc/10/77/54/158107754.db2.gz SUCUOAIQYISRKF-SJORKVTESA-N 2 0 336.524 1.570 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C2([NH3+])CCCC2)[C@H](c2ccccc2)C1 ZINC000378206010 158108749 /nfs/dbraw/zinc/10/87/49/158108749.db2.gz OQJXNTXDEPNOKP-KRWDZBQOSA-N 2 0 330.476 1.363 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)ccn1 ZINC000378353541 158148309 /nfs/dbraw/zinc/14/83/09/158148309.db2.gz GBKUAQLRUDFYRN-XOKHGSTOSA-N 2 0 332.448 1.823 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000378431718 158171238 /nfs/dbraw/zinc/17/12/38/158171238.db2.gz FPPKFFXASNZKIQ-APWZRJJASA-N 2 0 335.467 1.819 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417548747 304426848 /nfs/dbraw/zinc/42/68/48/304426848.db2.gz RQEZCDVBZZAINO-GDBMZVCRSA-N 2 0 340.512 1.787 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@@H]1CCCC[NH2+]C1 ZINC000417913654 304430476 /nfs/dbraw/zinc/43/04/76/304430476.db2.gz QGZUZEVCQMJBQA-ZACQAIPSSA-N 2 0 338.496 1.196 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000352156192 162018181 /nfs/dbraw/zinc/01/81/81/162018181.db2.gz ZSBAMRDUMVNJJZ-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186205 162038943 /nfs/dbraw/zinc/03/89/43/162038943.db2.gz JWPBRHUOXSNPRE-DLBZAZTESA-N 2 0 347.503 1.858 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC[NH2+]1 ZINC000418190426 304462750 /nfs/dbraw/zinc/46/27/50/304462750.db2.gz JBZAGZJISHFDFX-GOEBONIOSA-N 2 0 349.479 1.352 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000074103341 287267604 /nfs/dbraw/zinc/26/76/04/287267604.db2.gz SRFHOXCYCHCGIV-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062716 287301757 /nfs/dbraw/zinc/30/17/57/287301757.db2.gz VERSTQKNXDKSER-IKGGRYGDSA-N 2 0 325.497 1.759 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572890 287314275 /nfs/dbraw/zinc/31/42/75/287314275.db2.gz NJYGICLVOKCGRQ-HNNXBMFYSA-N 2 0 346.475 1.778 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C[NH3+])C3CC3)CC2)c1 ZINC000159229787 225174580 /nfs/dbraw/zinc/17/45/80/225174580.db2.gz IIIJRNTUMAWVNS-GOSISDBHSA-N 2 0 330.476 1.361 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000166453560 226158731 /nfs/dbraw/zinc/15/87/31/226158731.db2.gz YIWVITKXLWTBNG-DLBZAZTESA-N 2 0 346.475 1.112 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000130297425 287489812 /nfs/dbraw/zinc/48/98/12/287489812.db2.gz JJYTUECKFUNPIS-RDJZCZTQSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418402379 304492162 /nfs/dbraw/zinc/49/21/62/304492162.db2.gz ZGDFCSCLJHJLTN-IAOVAPTHSA-N 2 0 334.464 1.295 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000418431825 304495271 /nfs/dbraw/zinc/49/52/71/304495271.db2.gz RNXBOUVXBMQSGO-HUUCEWRRSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000273037265 273025493 /nfs/dbraw/zinc/02/54/93/273025493.db2.gz FOQRMLMIBQUGAJ-SJLPKXTDSA-N 2 0 333.476 1.244 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000275909026 268384290 /nfs/dbraw/zinc/38/42/90/268384290.db2.gz VDAXZEBHIPBREM-UHFFFAOYSA-N 2 0 346.475 1.330 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(N(C)CCOC)nc1 ZINC000276616231 268451750 /nfs/dbraw/zinc/45/17/50/268451750.db2.gz JVCJPLCLEQFVEP-QGZVFWFLSA-N 2 0 338.496 1.611 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276265335 273156287 /nfs/dbraw/zinc/15/62/87/273156287.db2.gz PEXZUADRURVGBX-INIZCTEOSA-N 2 0 333.476 1.375 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278912014 273270738 /nfs/dbraw/zinc/27/07/38/273270738.db2.gz CEPBJKXTFNIGOK-RHSMWYFYSA-N 2 0 327.432 1.519 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)[C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000280825837 273403336 /nfs/dbraw/zinc/40/33/36/273403336.db2.gz KMRGWHKRWKHNNJ-CGTJXYLNSA-N 2 0 336.476 1.923 20 0 EDADRP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)NCCF ZINC000282731979 273708855 /nfs/dbraw/zinc/70/88/55/273708855.db2.gz MQCGJXJGPTVTFA-KBPBESRZSA-N 2 0 325.428 1.752 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284229294 274125155 /nfs/dbraw/zinc/12/51/55/274125155.db2.gz DXLAXYVLASXYID-OAHLLOKOSA-N 2 0 329.448 1.338 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H]2CCSC2)CC1 ZINC000487277801 275515469 /nfs/dbraw/zinc/51/54/69/275515469.db2.gz YWLUGSNTDYMLOH-OAHLLOKOSA-N 2 0 327.538 1.956 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000658108163 452727710 /nfs/dbraw/zinc/72/77/10/452727710.db2.gz PQDLWQLSAOXFIV-GJZGRUSLSA-N 2 0 333.542 1.061 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000261692028 275982446 /nfs/dbraw/zinc/98/24/46/275982446.db2.gz HPXYPMWVTIFJSM-IAGOWNOFSA-N 2 0 325.497 1.613 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424143931 276074424 /nfs/dbraw/zinc/07/44/24/276074424.db2.gz KGASDBGXPGFODT-CABCVRRESA-N 2 0 333.480 1.301 20 0 EDADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC000369776890 276195784 /nfs/dbraw/zinc/19/57/84/276195784.db2.gz DXQFVXUFXYZDPB-ZWKOTPCHSA-N 2 0 336.524 1.203 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000373266740 276372033 /nfs/dbraw/zinc/37/20/33/276372033.db2.gz YZFTWRPIWKKQSJ-DOTOQJQBSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000285930160 287893622 /nfs/dbraw/zinc/89/36/22/287893622.db2.gz FMPNQNNJGMUCRM-CQSZACIVSA-N 2 0 341.402 1.234 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC000418581693 277085583 /nfs/dbraw/zinc/08/55/83/277085583.db2.gz MISSVZNKHVHLBH-IBGZPJMESA-N 2 0 328.460 1.917 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000286175617 287953444 /nfs/dbraw/zinc/95/34/44/287953444.db2.gz RDSILSQYRGWZGM-GJYPPUQNSA-N 2 0 345.491 1.096 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000125828120 277398819 /nfs/dbraw/zinc/39/88/19/277398819.db2.gz IQUNXFPYMCBQAU-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP CCN1CCN([C@H]2CC[N@H+](CCC(=O)c3ccc(OC)cc3)C2)CC1 ZINC000286453794 288009679 /nfs/dbraw/zinc/00/96/79/288009679.db2.gz OGOLUNQMTFZDKM-SFHVURJKSA-N 2 0 345.487 1.980 20 0 EDADRP CC[N@@H+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000286468211 288012938 /nfs/dbraw/zinc/01/29/38/288012938.db2.gz KSAXSVRFGSFMRD-WMZOPIPTSA-N 2 0 332.492 1.432 20 0 EDADRP C[C@H](C(=O)N1CCC[NH+](C2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369535137 278138769 /nfs/dbraw/zinc/13/87/69/278138769.db2.gz NXBUQYJQURBUDS-IXDOHACOSA-N 2 0 337.508 1.961 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000352084280 279112237 /nfs/dbraw/zinc/11/22/37/279112237.db2.gz ONWYZAIEKDWQNK-MRXNPFEDSA-N 2 0 333.542 1.616 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCCOC1 ZINC000371281233 288106905 /nfs/dbraw/zinc/10/69/05/288106905.db2.gz BTCQANAOHALDOF-TVFCKZIOSA-N 2 0 325.497 1.186 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343932007 279155357 /nfs/dbraw/zinc/15/53/57/279155357.db2.gz QTGDNQYBKVSKPQ-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357280038 279208367 /nfs/dbraw/zinc/20/83/67/279208367.db2.gz YYZJBVSSPXSZER-WBVHZDCISA-N 2 0 336.480 1.291 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371967573 288119756 /nfs/dbraw/zinc/11/97/56/288119756.db2.gz SHYCBZNGMOPPAX-SRIISGBFSA-N 2 0 332.492 1.595 20 0 EDADRP Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424159449 279329712 /nfs/dbraw/zinc/32/97/12/279329712.db2.gz VKLNIUFBROMSJD-HOSILWTGSA-N 2 0 331.464 1.087 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccn1 ZINC000340079520 279329909 /nfs/dbraw/zinc/32/99/09/279329909.db2.gz HOGZRDYGOZVJHN-HNNXBMFYSA-N 2 0 340.493 1.118 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+][C@H](C)C3)cc2)CC1 ZINC000153701430 279373545 /nfs/dbraw/zinc/37/35/45/279373545.db2.gz JYHJLZAUWUJVLV-HZPDHXFCSA-N 2 0 330.476 1.651 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450340070 288153406 /nfs/dbraw/zinc/15/34/06/288153406.db2.gz DJJXLEKURZLPTJ-BBWFWOEESA-N 2 0 337.508 1.724 20 0 EDADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000368112470 280112768 /nfs/dbraw/zinc/11/27/68/280112768.db2.gz DEGOFKQVKCEQKK-ZWKOTPCHSA-N 2 0 335.492 1.193 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000359610075 280176701 /nfs/dbraw/zinc/17/67/01/280176701.db2.gz ZWMZRIMPGXDBLE-ZWKOTPCHSA-N 2 0 333.476 1.456 20 0 EDADRP Cc1[nH+]ccc(NCCC[NH+]2CCN(c3ncccn3)CC2)c1Cl ZINC000357319219 280185705 /nfs/dbraw/zinc/18/57/05/280185705.db2.gz AIEFNMLONMERIT-UHFFFAOYSA-N 2 0 346.866 1.880 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000288205378 288430821 /nfs/dbraw/zinc/43/08/21/288430821.db2.gz PUYNSUNUNKCHQT-HNNXBMFYSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376780880 289042288 /nfs/dbraw/zinc/04/22/88/289042288.db2.gz ZYXSBFWXWVBWEX-YYIAUSFCSA-N 2 0 336.480 1.118 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2CCC[C@@H]21 ZINC000377934911 289114262 /nfs/dbraw/zinc/11/42/62/289114262.db2.gz CKEJUTCOHWKNMH-YESZJQIVSA-N 2 0 325.497 1.534 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000292147965 289273022 /nfs/dbraw/zinc/27/30/22/289273022.db2.gz UZVSAUGAFVXWEG-QGZVFWFLSA-N 2 0 346.519 1.893 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2)c1ccccc1 ZINC000341988291 289278007 /nfs/dbraw/zinc/27/80/07/289278007.db2.gz JQZGAAZNFSISJG-AZUAARDMSA-N 2 0 345.487 1.908 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292237987 289296243 /nfs/dbraw/zinc/29/62/43/289296243.db2.gz WLRGTCPIHKFRBI-SCLBCKFNSA-N 2 0 330.432 1.140 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCN3CCc4ccccc43)C2)CC1 ZINC000292591910 289389831 /nfs/dbraw/zinc/38/98/31/289389831.db2.gz VFQWVEIXZGIVPY-LJQANCHMSA-N 2 0 328.504 1.761 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CCSC1 ZINC000417838468 289398969 /nfs/dbraw/zinc/39/89/69/289398969.db2.gz VXKKITZUFOPJPY-RDJZCZTQSA-N 2 0 340.537 1.597 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C[C@H]2[C@H]1c1ccccc1 ZINC000367186295 290285906 /nfs/dbraw/zinc/28/59/06/290285906.db2.gz NACAUBHOYQLZPT-HSFUPAIVSA-N 2 0 329.444 1.254 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418564208 304513506 /nfs/dbraw/zinc/51/35/06/304513506.db2.gz JHUYBRAMXQQIHK-GMXABZIVSA-N 2 0 326.391 1.399 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418871056 304542276 /nfs/dbraw/zinc/54/22/76/304542276.db2.gz ZIBJJVJYMYETHW-DLBZAZTESA-N 2 0 346.475 1.039 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000419661528 304653894 /nfs/dbraw/zinc/65/38/94/304653894.db2.gz FOWHMEUPUOXLJC-HZPDHXFCSA-N 2 0 340.512 1.340 20 0 EDADRP C[C@H]1C[NH+](C)CCN1Cc1cccc(CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000343727093 300213619 /nfs/dbraw/zinc/21/36/19/300213619.db2.gz XKXAJWTYFLSYIQ-ROUUACIJSA-N 2 0 330.520 1.958 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCCO[C@@H]3C)CC2)CC1 ZINC000422026512 447313664 /nfs/dbraw/zinc/31/36/64/447313664.db2.gz UWRJITITXYSABJ-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CCSC3)CC2)CC1 ZINC000422025559 447314230 /nfs/dbraw/zinc/31/42/30/447314230.db2.gz SISWIEBYADPXAX-HNNXBMFYSA-N 2 0 325.522 1.758 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000420306760 304746946 /nfs/dbraw/zinc/74/69/46/304746946.db2.gz ASEPUMGZKMVDBL-LJQANCHMSA-N 3 0 347.503 1.782 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000420475427 304763326 /nfs/dbraw/zinc/76/33/26/304763326.db2.gz WRWKNKYRSITYTE-HUUCEWRRSA-N 2 0 325.478 1.544 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000298679750 303543494 /nfs/dbraw/zinc/54/34/94/303543494.db2.gz VPJZXPBPNGDDBQ-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)CC[NH2+]CC1 ZINC000423115788 304887220 /nfs/dbraw/zinc/88/72/20/304887220.db2.gz OFVBQLSAACGKRH-RRFJBIMHSA-N 2 0 337.464 1.051 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277158 304890901 /nfs/dbraw/zinc/89/09/01/304890901.db2.gz NSMLZEDOWQXFLY-RRQGHBQHSA-N 2 0 337.489 1.819 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)COC2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423298980 304891562 /nfs/dbraw/zinc/89/15/62/304891562.db2.gz BBZPNGUNHJTFLF-GOSISDBHSA-N 2 0 333.476 1.737 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000423313133 304892200 /nfs/dbraw/zinc/89/22/00/304892200.db2.gz FDVHVZNOXSAFKP-GOSISDBHSA-N 2 0 341.459 1.799 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]([NH3+])c1ccccc1 ZINC000423743665 304907511 /nfs/dbraw/zinc/90/75/11/304907511.db2.gz KIWAAPLYFIHOLF-JQHSSLGASA-N 2 0 333.476 1.892 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NC2CCC(C[NH+](C)C)CC2)C1(C)C ZINC000423748225 304907940 /nfs/dbraw/zinc/90/79/40/304907940.db2.gz QJVZXEQPGCWRSN-GULCKSEBSA-N 2 0 325.497 1.756 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423755363 304908660 /nfs/dbraw/zinc/90/86/60/304908660.db2.gz HPXZOMVZSKQGJD-CVEARBPZSA-N 2 0 339.480 1.285 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC(C)(C)O1 ZINC000430083304 305045045 /nfs/dbraw/zinc/04/50/45/305045045.db2.gz GYFLAEALINMDPV-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430606915 305058322 /nfs/dbraw/zinc/05/83/22/305058322.db2.gz XPKQFHMNDWLXLK-AWEZNQCLSA-N 2 0 349.475 1.721 20 0 EDADRP COCC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000430848026 305065815 /nfs/dbraw/zinc/06/58/15/305065815.db2.gz OHEMMNKUVQWUOA-FQEVSTJZSA-N 2 0 345.487 1.783 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000430934527 305068926 /nfs/dbraw/zinc/06/89/26/305068926.db2.gz PDQANTSPCRIHGP-SFHVURJKSA-N 2 0 349.450 1.657 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431033788 305073278 /nfs/dbraw/zinc/07/32/78/305073278.db2.gz KOQHKCMOVMASOH-HNNXBMFYSA-N 2 0 344.459 1.476 20 0 EDADRP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431042999 305073569 /nfs/dbraw/zinc/07/35/69/305073569.db2.gz NOZCNXUOFBDXFV-LSDHHAIUSA-N 2 0 336.480 1.466 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]CC23CCCCC3)CC1 ZINC000431068779 305074224 /nfs/dbraw/zinc/07/42/24/305074224.db2.gz JLKPCAZDUDDZNS-UHFFFAOYSA-N 2 0 336.524 1.584 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431831548 305083485 /nfs/dbraw/zinc/08/34/85/305083485.db2.gz MMADDYJDRXLYPF-MSOLQXFVSA-N 2 0 333.476 1.595 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(C)(C)C ZINC000433129961 305101169 /nfs/dbraw/zinc/10/11/69/305101169.db2.gz PVUXKVIUUBCFFZ-MRXNPFEDSA-N 3 0 326.529 1.672 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)[C@@H]1CCC[NH+]1C ZINC000433265191 305104188 /nfs/dbraw/zinc/10/41/88/305104188.db2.gz HLQZTBGKDKOVED-BHYGNILZSA-N 2 0 333.480 1.356 20 0 EDADRP C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)C[NH+]1CCCCC1 ZINC000433381521 305107063 /nfs/dbraw/zinc/10/70/63/305107063.db2.gz AEONOUSXFWGWSF-GJZGRUSLSA-N 2 0 334.468 1.054 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000433919116 305114600 /nfs/dbraw/zinc/11/46/00/305114600.db2.gz KLPNICSRJXOVMC-RDJZCZTQSA-N 2 0 340.537 1.740 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC000434429453 305122286 /nfs/dbraw/zinc/12/22/86/305122286.db2.gz HYRDERTXVVJMMW-SFHVURJKSA-N 2 0 338.540 1.590 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000434693654 305127824 /nfs/dbraw/zinc/12/78/24/305127824.db2.gz OBHCUOXDCULIET-CXAGYDPISA-N 2 0 328.420 1.777 20 0 EDADRP CC1CC[NH+](CCCNC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000436490179 305158612 /nfs/dbraw/zinc/15/86/12/305158612.db2.gz SBNMTTMIIXRKTE-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000445090473 305256229 /nfs/dbraw/zinc/25/62/29/305256229.db2.gz JMJFOGAJLMENMJ-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090286 305306202 /nfs/dbraw/zinc/30/62/02/305306202.db2.gz GISKUNWPQWOZFP-ZBFHGGJFSA-N 2 0 340.489 1.240 20 0 EDADRP COC[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452103070 305383014 /nfs/dbraw/zinc/38/30/14/305383014.db2.gz LPJLYKDWNXKWAD-QZTJIDSGSA-N 2 0 342.524 1.844 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000453085294 305405113 /nfs/dbraw/zinc/40/51/13/305405113.db2.gz GALKHSJEXFKOQB-HNNXBMFYSA-N 2 0 341.459 1.489 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000453083482 305405141 /nfs/dbraw/zinc/40/51/41/305405141.db2.gz IDNBTRCANQSXFG-QGZVFWFLSA-N 2 0 340.475 1.605 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000414907921 447352536 /nfs/dbraw/zinc/35/25/36/447352536.db2.gz FCSRVMQQVLPKAE-HNNXBMFYSA-N 2 0 332.448 1.287 20 0 EDADRP Cc1ccc2c(CC[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)cn(C)c2c1 ZINC000514788734 305705369 /nfs/dbraw/zinc/70/53/69/305705369.db2.gz XBEHCDUYGNNOQE-SFHVURJKSA-N 2 0 344.503 1.227 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000528673679 305883314 /nfs/dbraw/zinc/88/33/14/305883314.db2.gz XKVGHLAXULOVSH-UHFFFAOYSA-N 2 0 336.436 1.256 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529285838 305906851 /nfs/dbraw/zinc/90/68/51/305906851.db2.gz PWRKCEQSUBSDGH-QGZVFWFLSA-N 2 0 334.464 1.316 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)CC1 ZINC000425938422 447364447 /nfs/dbraw/zinc/36/44/47/447364447.db2.gz WVOSLJPFACYWBA-HUUCEWRRSA-N 2 0 341.496 1.354 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2CCc3ccccc3CC2)CC1 ZINC000530236448 305935270 /nfs/dbraw/zinc/93/52/70/305935270.db2.gz SKWSRVCCAJIPKL-FQEVSTJZSA-N 2 0 331.504 1.380 20 0 EDADRP CN(CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1cc[nH+]cc1 ZINC000540927359 306041752 /nfs/dbraw/zinc/04/17/52/306041752.db2.gz GWHIRCHHXOFYQQ-INIZCTEOSA-N 2 0 332.448 1.089 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000543027389 306060149 /nfs/dbraw/zinc/06/01/49/306060149.db2.gz RNVCSJKAILBFLN-QZTJIDSGSA-N 2 0 330.476 1.704 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000544602504 306077201 /nfs/dbraw/zinc/07/72/01/306077201.db2.gz MDFQBNYDWVAMCL-IIAWOOMASA-N 2 0 331.526 1.366 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000557139670 306224840 /nfs/dbraw/zinc/22/48/40/306224840.db2.gz NTMILMGYLPBXGU-MSOLQXFVSA-N 2 0 346.475 1.501 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000557214709 306226535 /nfs/dbraw/zinc/22/65/35/306226535.db2.gz HARFHQNNDRRJSD-GOSISDBHSA-N 2 0 348.491 1.441 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414947697 447369839 /nfs/dbraw/zinc/36/98/39/447369839.db2.gz LBXJBFDPDNPHFD-RDJZCZTQSA-N 2 0 344.459 1.260 20 0 EDADRP FC(F)(F)c1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[nH]n1 ZINC000414965374 447377669 /nfs/dbraw/zinc/37/76/69/447377669.db2.gz FQWGPGZTNJGOCP-JTQLQIEISA-N 2 0 345.291 1.354 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419735716 447382396 /nfs/dbraw/zinc/38/23/96/447382396.db2.gz WFKDQSODXZSKLA-CABCVRRESA-N 2 0 346.475 1.039 20 0 EDADRP CC(C)(CO)[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000415110887 447389655 /nfs/dbraw/zinc/38/96/55/447389655.db2.gz TUDWGVSXZIEOCT-MAUKXSAKSA-N 2 0 333.476 1.533 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C)C[NH+](C)C)CC1 ZINC000458500512 447390170 /nfs/dbraw/zinc/39/01/70/447390170.db2.gz NYAMTPWFCICGDS-UHFFFAOYSA-N 2 0 328.501 1.515 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422184148 447392422 /nfs/dbraw/zinc/39/24/22/447392422.db2.gz XSCYFLVYLJSDMW-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422207833 447402884 /nfs/dbraw/zinc/40/28/84/447402884.db2.gz QPYCHPCKYDHDFM-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@H]1C ZINC000419802706 447422691 /nfs/dbraw/zinc/42/26/91/447422691.db2.gz MEOYEJBMMGERNE-HUUCEWRRSA-N 2 0 338.496 1.095 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000045121395 440951848 /nfs/dbraw/zinc/95/18/48/440951848.db2.gz JUEZQQXRNQRIGK-UHFFFAOYSA-N 2 0 345.491 1.831 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000458642379 447436066 /nfs/dbraw/zinc/43/60/66/447436066.db2.gz IZFCRZSGCTUZEB-DLBZAZTESA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc(C2CC2)n1 ZINC000069979437 441100373 /nfs/dbraw/zinc/10/03/73/441100373.db2.gz WORCMVCILGFCNT-UHFFFAOYSA-N 2 0 333.480 1.700 20 0 EDADRP CCCC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000046773375 441122931 /nfs/dbraw/zinc/12/29/31/441122931.db2.gz FSKYPYIEJXDZDU-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000105134361 441237755 /nfs/dbraw/zinc/23/77/55/441237755.db2.gz PJQLMWOIZOWLBJ-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1 ZINC000047977719 441245381 /nfs/dbraw/zinc/24/53/81/441245381.db2.gz NHAKIRDRCCAYDP-UHFFFAOYSA-N 2 0 326.485 1.522 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073611262 441332346 /nfs/dbraw/zinc/33/23/46/441332346.db2.gz VHAWBLVSAXFZAS-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000106458687 441345347 /nfs/dbraw/zinc/34/53/47/441345347.db2.gz DHMGGZPBSCREFB-QGZVFWFLSA-N 2 0 333.480 1.036 20 0 EDADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344394 441374557 /nfs/dbraw/zinc/37/45/57/441374557.db2.gz PXPYZFNXLKEWRJ-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1csc(=O)n1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344422 441374665 /nfs/dbraw/zinc/37/46/65/441374665.db2.gz XIQFZYNOGZZKIU-UHFFFAOYSA-N 2 0 339.505 1.653 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000074532924 441444208 /nfs/dbraw/zinc/44/42/08/441444208.db2.gz PEEQHNMAAMBWOV-UHFFFAOYSA-N 2 0 339.443 1.450 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000074710552 441459076 /nfs/dbraw/zinc/45/90/76/441459076.db2.gz VBINGGGSAVSMNG-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C1 ZINC000113512544 441613296 /nfs/dbraw/zinc/61/32/96/441613296.db2.gz SXUVKXKBZNVFPI-OAHLLOKOSA-N 2 0 329.444 1.946 20 0 EDADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121617067 441743262 /nfs/dbraw/zinc/74/32/62/441743262.db2.gz GRLJGTKOBPJCKD-UHFFFAOYSA-N 2 0 345.553 1.856 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000158626236 441750111 /nfs/dbraw/zinc/75/01/11/441750111.db2.gz SHXRDXBVCBWSSV-UHFFFAOYSA-N 2 0 330.476 1.526 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077574213 441808259 /nfs/dbraw/zinc/80/82/59/441808259.db2.gz WMLONWDCRYNWCI-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1CCCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173961228 441870197 /nfs/dbraw/zinc/87/01/97/441870197.db2.gz IHNFHMJZFKYHEO-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CN(CCC[NH+]1CCN(C)CC1)CC(=O)Nc1cc(F)ccc1F ZINC000174718238 441957042 /nfs/dbraw/zinc/95/70/42/441957042.db2.gz PMYBRLUGTSWJJU-UHFFFAOYSA-N 2 0 340.418 1.473 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000151433783 442061079 /nfs/dbraw/zinc/06/10/79/442061079.db2.gz DMLGZZZIJNSZGY-UHFFFAOYSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1SCCc2ccccc21 ZINC000080061213 442111622 /nfs/dbraw/zinc/11/16/22/442111622.db2.gz PTGDGWVQDRAWSJ-KRWDZBQOSA-N 2 0 335.517 1.969 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000120725503 442123688 /nfs/dbraw/zinc/12/36/88/442123688.db2.gz SXDWHLVXBNIGTJ-MRXNPFEDSA-N 2 0 339.867 1.516 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000097105356 442169359 /nfs/dbraw/zinc/16/93/59/442169359.db2.gz KZWBOXMSDIWYNZ-UHFFFAOYSA-N 2 0 346.519 1.752 20 0 EDADRP CCO[C@@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121137942 442181980 /nfs/dbraw/zinc/18/19/80/442181980.db2.gz DPGLYICQZAVNPP-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCNS(C)(=O)=O)CC1 ZINC000121272916 442198555 /nfs/dbraw/zinc/19/85/55/442198555.db2.gz LRBPASQRCQPWCL-GOEBONIOSA-N 2 0 331.526 1.558 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000176014769 442161574 /nfs/dbraw/zinc/16/15/74/442161574.db2.gz PXMKICUDQNLWPT-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3(C[NH3+])CCCC3)ccc2oc1=O ZINC000166617197 442217519 /nfs/dbraw/zinc/21/75/19/442217519.db2.gz NJNYKAQMBNZAOB-UHFFFAOYSA-N 2 0 346.431 1.614 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167703178 442222170 /nfs/dbraw/zinc/22/21/70/442222170.db2.gz OTXVZMJJQOFVPD-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP C[C@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000168749116 442225470 /nfs/dbraw/zinc/22/54/70/442225470.db2.gz UPWRKGJJBDVWNK-IBGZPJMESA-N 2 0 344.459 1.450 20 0 EDADRP O=C(C[N@H+]1CCC[C@@H]1CO)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170930495 442291498 /nfs/dbraw/zinc/29/14/98/442291498.db2.gz RVKGHJHHLKXCON-GOSISDBHSA-N 2 0 331.460 1.355 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ncccc1F ZINC000132108871 442387001 /nfs/dbraw/zinc/38/70/01/442387001.db2.gz KTEWVZSXDBJSEH-UHFFFAOYSA-N 2 0 337.443 1.388 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC(C)=O)cc3)C2)CC1 ZINC000155682655 442418960 /nfs/dbraw/zinc/41/89/60/442418960.db2.gz JQUPBIRTMOFKDF-SFHVURJKSA-N 2 0 331.460 1.824 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000178966269 442539803 /nfs/dbraw/zinc/53/98/03/442539803.db2.gz USTHVKZPQTUONL-QGZVFWFLSA-N 2 0 330.476 1.116 20 0 EDADRP CC1CC[NH+](CC(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000135055480 442550143 /nfs/dbraw/zinc/55/01/43/442550143.db2.gz RURODEJNBMOTPS-UHFFFAOYSA-N 2 0 345.491 1.182 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178879865 442512430 /nfs/dbraw/zinc/51/24/30/442512430.db2.gz FGUKNBHWZSRRNJ-CABCVRRESA-N 2 0 348.466 1.754 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000179852845 442512521 /nfs/dbraw/zinc/51/25/21/442512521.db2.gz XQNUPSVCUKFUMI-CCNLRDMRSA-N 2 0 337.508 1.458 20 0 EDADRP CCCN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000178885047 442514936 /nfs/dbraw/zinc/51/49/36/442514936.db2.gz KLVQRMXNZKOOOG-IBGZPJMESA-N 2 0 344.503 1.648 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000157339076 442574743 /nfs/dbraw/zinc/57/47/43/442574743.db2.gz RJDFZKJYBWRSLG-DOTOQJQBSA-N 2 0 325.497 1.628 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000173266460 442635739 /nfs/dbraw/zinc/63/57/39/442635739.db2.gz CULKCTTVDZGBCX-SJORKVTESA-N 2 0 344.459 1.543 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000187411004 442674865 /nfs/dbraw/zinc/67/48/65/442674865.db2.gz BXXUSPIXBXWCOE-JKSUJKDBSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000181613757 442706864 /nfs/dbraw/zinc/70/68/64/442706864.db2.gz QUWKAWGYQMYUJQ-SFHVURJKSA-N 2 0 348.491 1.393 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cccc2n[nH]nc21 ZINC000187651376 442684660 /nfs/dbraw/zinc/68/46/60/442684660.db2.gz STYLMYILLIZISA-CQSZACIVSA-N 2 0 344.463 1.446 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)c1ccnn1C ZINC000192810631 442688768 /nfs/dbraw/zinc/68/87/68/442688768.db2.gz OQDAKBVYGSTOTG-AWEZNQCLSA-N 2 0 329.448 1.562 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000187794581 442692684 /nfs/dbraw/zinc/69/26/84/442692684.db2.gz LQQAMMUHXSRSNR-OWCLPIDISA-N 2 0 326.485 1.079 20 0 EDADRP OC(C[NH+](C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000181780387 442715889 /nfs/dbraw/zinc/71/58/89/442715889.db2.gz UBIMGYGTKCULDQ-HOTGVXAUSA-N 2 0 338.492 1.349 20 0 EDADRP CC(C)[NH+](CC(N)=O)Cc1ccccc1C[N@@H+](CC(N)=O)C(C)C ZINC000193612818 442759250 /nfs/dbraw/zinc/75/92/50/442759250.db2.gz KSKGNECFMHGHBJ-UHFFFAOYSA-N 2 0 334.464 1.078 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000188653838 442780497 /nfs/dbraw/zinc/78/04/97/442780497.db2.gz IPRFRLPESLXATL-ZACQAIPSSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000246459488 442782945 /nfs/dbraw/zinc/78/29/45/442782945.db2.gz UXTMNHRHMANMFK-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000188770052 442809120 /nfs/dbraw/zinc/80/91/20/442809120.db2.gz TZCXKFVHOUUXGU-CYBMUJFWSA-N 2 0 327.432 1.306 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188769997 442809604 /nfs/dbraw/zinc/80/96/04/442809604.db2.gz XDMOHQXXFALWQK-GOEBONIOSA-N 2 0 348.422 1.151 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000247518287 442859634 /nfs/dbraw/zinc/85/96/34/442859634.db2.gz NULBYURXIWSJOP-KZNAEPCWSA-N 2 0 337.508 1.745 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189008064 442860255 /nfs/dbraw/zinc/86/02/55/442860255.db2.gz DTUDCHYXJQRCTH-UHFFFAOYSA-N 2 0 345.466 1.798 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182989577 442860455 /nfs/dbraw/zinc/86/04/55/442860455.db2.gz BYSPFICGDDXAPA-LJQANCHMSA-N 2 0 342.524 1.844 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000167414867 318429511 /nfs/dbraw/zinc/42/95/11/318429511.db2.gz PEUOSFKDHDMDPY-UHFFFAOYSA-N 2 0 333.476 1.648 20 0 EDADRP CC(C)N1CC[C@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1=O ZINC000182955717 442853851 /nfs/dbraw/zinc/85/38/51/442853851.db2.gz UQFBKBBDNZHXGG-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000248948186 442940048 /nfs/dbraw/zinc/94/00/48/442940048.db2.gz AURNJQBQRTYREP-CVEARBPZSA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249102043 442951627 /nfs/dbraw/zinc/95/16/27/442951627.db2.gz KFVDXAJORXCKLI-CABCVRRESA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184606967 443048500 /nfs/dbraw/zinc/04/85/00/443048500.db2.gz GNVOKXWXNIILJO-NXHRZFHOSA-N 2 0 333.476 1.641 20 0 EDADRP C[C@H](C(=O)N1CCN(C[C@H](C)O)C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000251903099 443019672 /nfs/dbraw/zinc/01/96/72/443019672.db2.gz SOHKARBLVHVIFE-YESZJQIVSA-N 2 0 345.487 1.347 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000266118843 443024241 /nfs/dbraw/zinc/02/42/41/443024241.db2.gz OPOJYSLMGFZCNT-UHFFFAOYSA-N 2 0 330.476 1.479 20 0 EDADRP CC[NH+](CC)CCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000266308874 443093455 /nfs/dbraw/zinc/09/34/55/443093455.db2.gz SJJVKTXHEGKETN-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000268749899 443097086 /nfs/dbraw/zinc/09/70/86/443097086.db2.gz HDDHLRPPQSDBRL-AWEZNQCLSA-N 2 0 327.494 1.976 20 0 EDADRP C[C@H]1CSCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000190143444 443062759 /nfs/dbraw/zinc/06/27/59/443062759.db2.gz DLZCDSGEQKPYON-CQSZACIVSA-N 2 0 328.526 1.407 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000298510263 318820072 /nfs/dbraw/zinc/82/00/72/318820072.db2.gz OLWWTXURTJYWOE-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000237217774 443164307 /nfs/dbraw/zinc/16/43/07/443164307.db2.gz WVOPOGTXWXBWPR-SFHVURJKSA-N 2 0 330.476 1.387 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649477 443196685 /nfs/dbraw/zinc/19/66/85/443196685.db2.gz XVDLJYAFSZBVMU-QWHCGFSZSA-N 2 0 345.447 1.457 20 0 EDADRP COc1cc2c(cc1CN1CCCC[C@H]1CNC(=O)CC[NH3+])OCO2 ZINC000261981655 443178432 /nfs/dbraw/zinc/17/84/32/443178432.db2.gz JFUOFPTZUMHWOV-AWEZNQCLSA-N 2 0 349.431 1.243 20 0 EDADRP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@@H+]1C ZINC000269055313 443185010 /nfs/dbraw/zinc/18/50/10/443185010.db2.gz SAGYKBCQJZRQQK-AFYVEPGGSA-N 3 0 331.504 1.942 20 0 EDADRP COCC[NH+]1CCC(NC(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000299238896 318891781 /nfs/dbraw/zinc/89/17/81/318891781.db2.gz JECGNCBMRBEGEV-UHFFFAOYSA-N 2 0 349.475 1.468 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262346314 443190942 /nfs/dbraw/zinc/19/09/42/443190942.db2.gz INQNHHVBPVPLQP-HNAYVOBHSA-N 2 0 337.508 1.772 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000238012434 443192542 /nfs/dbraw/zinc/19/25/42/443192542.db2.gz MPWAMJJQTDRWME-FUHWJXTLSA-N 2 0 331.460 1.300 20 0 EDADRP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000262417676 443193709 /nfs/dbraw/zinc/19/37/09/443193709.db2.gz ZUGYUMKVYRWZHQ-HOTGVXAUSA-N 2 0 333.480 1.341 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)C1C[NH2+]C1 ZINC000262473746 443195865 /nfs/dbraw/zinc/19/58/65/443195865.db2.gz YNYZTPWKGYFCFS-UKRRQHHQSA-N 2 0 344.459 1.178 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCCN2CC[NH2+]CC2)cc1 ZINC000269115282 443202372 /nfs/dbraw/zinc/20/23/72/443202372.db2.gz UBYYDEZKAUHGRL-UHFFFAOYSA-N 2 0 346.519 1.944 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719864 319125961 /nfs/dbraw/zinc/12/59/61/319125961.db2.gz YDTNHHHEEGFYDR-AQNXPRMDSA-N 2 0 331.504 1.753 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411126857 319166758 /nfs/dbraw/zinc/16/67/58/319166758.db2.gz QEGPYTZPBKAYLL-UHFFFAOYSA-N 2 0 348.491 1.843 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269253974 443252373 /nfs/dbraw/zinc/25/23/73/443252373.db2.gz QZLCUCOLDUSGER-ROUUACIJSA-N 2 0 341.459 1.012 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000266816823 443253454 /nfs/dbraw/zinc/25/34/54/443253454.db2.gz HFHDOFLLKXCXRT-IBGZPJMESA-N 2 0 344.503 1.718 20 0 EDADRP C[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000413685956 319287690 /nfs/dbraw/zinc/28/76/90/319287690.db2.gz AHUWPWWIQYFKAL-BBWFWOEESA-N 2 0 338.540 1.780 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(C)C ZINC000414190589 319318596 /nfs/dbraw/zinc/31/85/96/319318596.db2.gz KQFJYRQQIZUNAR-DLBZAZTESA-N 2 0 339.524 1.576 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(c3ccc(O)cc3)CC2)C1 ZINC000414675269 319339831 /nfs/dbraw/zinc/33/98/31/319339831.db2.gz FNXYAKWHOJNMCI-HNNXBMFYSA-N 2 0 331.460 1.769 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000414675670 319340122 /nfs/dbraw/zinc/34/01/22/319340122.db2.gz GKJDPCSMGIECNE-MRXNPFEDSA-N 2 0 332.448 1.321 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414683288 319341841 /nfs/dbraw/zinc/34/18/41/319341841.db2.gz ZVPKWOFNQNZWOY-HZPDHXFCSA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+]CC1CCC([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000415082753 319345801 /nfs/dbraw/zinc/34/58/01/319345801.db2.gz MKBWTXDFVIEOMJ-OFLPRAFFSA-N 2 0 331.460 1.773 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000415238581 319355834 /nfs/dbraw/zinc/35/58/34/319355834.db2.gz LZAGKXCSHUMRLO-AWEZNQCLSA-N 2 0 349.479 1.648 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415735922 319367815 /nfs/dbraw/zinc/36/78/15/319367815.db2.gz ZVPZNSJRCCQHIX-UONOGXRCSA-N 2 0 346.475 1.709 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)C[C@@H](C)O1 ZINC000246160705 443273765 /nfs/dbraw/zinc/27/37/65/443273765.db2.gz DYDLIOZAVFXTEO-QBPKDAKJSA-N 2 0 340.512 1.467 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000264433493 443290035 /nfs/dbraw/zinc/29/00/35/443290035.db2.gz AXBRXVYRMCUEKD-IBGZPJMESA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000416808774 319462477 /nfs/dbraw/zinc/46/24/77/319462477.db2.gz HMYNHHZUSHQEPX-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000416853704 319466886 /nfs/dbraw/zinc/46/68/86/319466886.db2.gz UHRVQGDOGHMDNR-RDJZCZTQSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]C1 ZINC000269472079 443316906 /nfs/dbraw/zinc/31/69/06/443316906.db2.gz YEXVEUPQNYSBNN-IBGZPJMESA-N 2 0 345.491 1.100 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])CC(C)C ZINC000416944694 319481782 /nfs/dbraw/zinc/48/17/82/319481782.db2.gz DKSIUGUIRPXNDN-IKGGRYGDSA-N 2 0 342.528 1.891 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417285949 319490581 /nfs/dbraw/zinc/49/05/81/319490581.db2.gz CKVISXPBLFVNRO-KDURUIRLSA-N 2 0 342.487 1.759 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000418499807 319502565 /nfs/dbraw/zinc/50/25/65/319502565.db2.gz NFTCZHLUTLNQHJ-IRXDYDNUSA-N 2 0 328.416 1.209 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418684528 319511316 /nfs/dbraw/zinc/51/13/16/319511316.db2.gz LEKJKLXXTBGVMZ-OKZBNKHCSA-N 2 0 326.444 1.398 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418822668 319518400 /nfs/dbraw/zinc/51/84/00/319518400.db2.gz AXPGVCQHQCGTIP-LBPRGKRZSA-N 2 0 340.493 1.101 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000264686796 443375343 /nfs/dbraw/zinc/37/53/43/443375343.db2.gz CLIPRBMXTWNDOB-GOSISDBHSA-N 2 0 347.507 1.054 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000419012062 319541942 /nfs/dbraw/zinc/54/19/42/319541942.db2.gz UQUORTWNKHNZKY-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326154 319610105 /nfs/dbraw/zinc/61/01/05/319610105.db2.gz XDSLKYPHWOBLKQ-QZTJIDSGSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000279045423 443499720 /nfs/dbraw/zinc/49/97/20/443499720.db2.gz OTSMGMQQDSURTM-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP COc1ccc(C[C@@](C)(O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423136153 319752447 /nfs/dbraw/zinc/75/24/47/319752447.db2.gz GYVRQPHWSBDQSA-QDXKRRSBSA-N 2 0 334.460 1.870 20 0 EDADRP [NH3+]CCc1nc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cs1 ZINC000279901693 443637908 /nfs/dbraw/zinc/63/79/08/443637908.db2.gz JWLUNWOEXZFQQZ-UHFFFAOYSA-N 2 0 338.477 1.019 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCCC[C@@H]3CC[NH3+])cc2)CC1 ZINC000286102725 443646986 /nfs/dbraw/zinc/64/69/86/443646986.db2.gz NSMJYFKNHHRMPU-LJQANCHMSA-N 2 0 344.503 1.778 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433372722 319978341 /nfs/dbraw/zinc/97/83/41/319978341.db2.gz AXOAELQMOHLIQX-INIZCTEOSA-N 2 0 348.495 1.397 20 0 EDADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000286223784 443671432 /nfs/dbraw/zinc/67/14/32/443671432.db2.gz YVXYGAPDNQFKSO-GOSISDBHSA-N 2 0 328.460 1.975 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCCC[N@H+](C)C2CC2)c1 ZINC000454096303 320284106 /nfs/dbraw/zinc/28/41/06/320284106.db2.gz NWKJEKORORQZCS-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)[NH+](C)C ZINC000457455828 320326649 /nfs/dbraw/zinc/32/66/49/320326649.db2.gz MZOZROVREVFHMU-DOTOQJQBSA-N 2 0 334.464 1.137 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458788745 320341428 /nfs/dbraw/zinc/34/14/28/320341428.db2.gz NNCFRKMWRHDTQY-CVEARBPZSA-N 2 0 328.501 1.253 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000458792733 320341709 /nfs/dbraw/zinc/34/17/09/320341709.db2.gz AJIQXVNFNDZRHI-INIZCTEOSA-N 2 0 341.544 1.430 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000459247392 320345004 /nfs/dbraw/zinc/34/50/04/320345004.db2.gz CRFGXJNJVOQLEZ-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP Clc1cnn(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000459329217 320347108 /nfs/dbraw/zinc/34/71/08/320347108.db2.gz RNBYYQMINXOHIY-UHFFFAOYSA-N 2 0 326.872 1.971 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCCCN12 ZINC000515346059 320432629 /nfs/dbraw/zinc/43/26/29/320432629.db2.gz KEXBDXTYFLZWGS-TVKQPGBESA-N 2 0 341.455 1.985 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc2n[nH]cc2c1 ZINC000280455675 443714979 /nfs/dbraw/zinc/71/49/79/443714979.db2.gz GOKNBXUTQPJGEA-UHFFFAOYSA-N 2 0 345.491 1.837 20 0 EDADRP COc1cc2[nH+]ccc(NC[C@H]3C[N@H+](C)CCN3C)c2cc1OC ZINC000298252975 443730798 /nfs/dbraw/zinc/73/07/98/443730798.db2.gz NGTNTCHKUJHDAC-ZDUSSCGKSA-N 2 0 330.432 1.910 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1(C)C ZINC000538547127 320745179 /nfs/dbraw/zinc/74/51/79/320745179.db2.gz WHINKTAWIVAVPN-XHSDSOJGSA-N 2 0 327.513 1.872 20 0 EDADRP CS(=O)(=O)NCC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000285260025 443916483 /nfs/dbraw/zinc/91/64/83/443916483.db2.gz BCBMWSDWUZKCKM-UHFFFAOYSA-N 2 0 348.472 1.634 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293245240 443961045 /nfs/dbraw/zinc/96/10/45/443961045.db2.gz SZEJQAZCINXMQY-NZSAHSFTSA-N 2 0 345.487 1.612 20 0 EDADRP COCCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299456148 444051372 /nfs/dbraw/zinc/05/13/72/444051372.db2.gz ANNLJTOMXRWPLD-UHFFFAOYSA-N 2 0 349.479 1.320 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000552363689 320927283 /nfs/dbraw/zinc/92/72/83/320927283.db2.gz YNQSIKRRMZGIJT-UHFFFAOYSA-N 2 0 333.480 1.182 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000561280090 321038830 /nfs/dbraw/zinc/03/88/30/321038830.db2.gz DIXGRDDVTLGMSR-HKUYNNGSSA-N 2 0 331.460 1.521 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCN(CCOc2ccccc2)CC1 ZINC000562812299 321077659 /nfs/dbraw/zinc/07/76/59/321077659.db2.gz GSAZWCRBAUHECY-QGZVFWFLSA-N 2 0 346.475 1.392 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000563075150 321093975 /nfs/dbraw/zinc/09/39/75/321093975.db2.gz YHPXHRKZOHYTLO-RDTXWAMCSA-N 2 0 331.460 1.258 20 0 EDADRP CNC(=O)CCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000563932221 321116149 /nfs/dbraw/zinc/11/61/49/321116149.db2.gz VCWMABJCIPPLBS-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000564670706 321140944 /nfs/dbraw/zinc/14/09/44/321140944.db2.gz QXJOYVBCEVXWTN-KRWDZBQOSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000564826472 321150677 /nfs/dbraw/zinc/15/06/77/321150677.db2.gz OOWKINDUFLPIFL-TWRCCJGTSA-N 2 0 341.455 1.841 20 0 EDADRP Cn1cnc(CCNC(=O)[C@H](c2ccccc2)N2CCSCC2)c1 ZINC000565701712 321198594 /nfs/dbraw/zinc/19/85/94/321198594.db2.gz OEGYWGJOFJGTCN-KRWDZBQOSA-N 2 0 344.484 1.869 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567522651 321244859 /nfs/dbraw/zinc/24/48/59/321244859.db2.gz WPCAUWRCBHEEAX-ROUUACIJSA-N 2 0 332.492 1.928 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1)C1CC1 ZINC000567587564 321247416 /nfs/dbraw/zinc/24/74/16/321247416.db2.gz SFCJSTSNTFUATA-SFHVURJKSA-N 2 0 330.476 1.304 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000567895174 321266925 /nfs/dbraw/zinc/26/69/25/321266925.db2.gz VPQJBHWCOZRITJ-CYJAXWMASA-N 2 0 345.487 1.910 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000568410293 321290789 /nfs/dbraw/zinc/29/07/89/321290789.db2.gz HPTLCDFKDZKWEL-UHFFFAOYSA-N 2 0 329.448 1.307 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000568608215 321298922 /nfs/dbraw/zinc/29/89/22/321298922.db2.gz UKCGTAFLRAVZKW-BHIYHBOVSA-N 2 0 344.503 1.848 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000568855884 321309172 /nfs/dbraw/zinc/30/91/72/321309172.db2.gz IAOQQTJMSWMLCD-WBAXXEDZSA-N 2 0 346.475 1.963 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000289309599 444103187 /nfs/dbraw/zinc/10/31/87/444103187.db2.gz DWRJXXMBVGHGGV-WMZOPIPTSA-N 2 0 340.471 1.962 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)CC[NH2+]C)cc1OC ZINC000285773054 444103389 /nfs/dbraw/zinc/10/33/89/444103389.db2.gz MDFPQKXMFQUWHI-UHFFFAOYSA-N 2 0 337.464 1.642 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000570817307 321360156 /nfs/dbraw/zinc/36/01/56/321360156.db2.gz RROYSKXROOFKHK-KRWDZBQOSA-N 2 0 346.475 1.665 20 0 EDADRP CC1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571030090 321368181 /nfs/dbraw/zinc/36/81/81/321368181.db2.gz RUZZWLBUCCMIFX-QGZVFWFLSA-N 2 0 330.476 1.950 20 0 EDADRP CC1(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571268975 321381642 /nfs/dbraw/zinc/38/16/42/321381642.db2.gz FJXPAVDNKRYCRU-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP CCNc1nc(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)nc(NC(C)(C)C)n1 ZINC000571459366 321387652 /nfs/dbraw/zinc/38/76/52/321387652.db2.gz ZUDYPNARTKBDKS-VXGBXAGGSA-N 2 0 333.484 1.395 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000571557320 321392384 /nfs/dbraw/zinc/39/23/84/321392384.db2.gz ZGMVARQGBVNHQO-KRWDZBQOSA-N 2 0 330.476 1.363 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(OC3CCCC3)nc2)CC1 ZINC000574071819 321467985 /nfs/dbraw/zinc/46/79/85/321467985.db2.gz MHXIJBNMKZQGSK-KRWDZBQOSA-N 2 0 348.491 1.101 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000576730006 321591580 /nfs/dbraw/zinc/59/15/80/321591580.db2.gz TVZUYHYYDLIVSC-INIZCTEOSA-N 2 0 331.464 1.597 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)Cc2ccccc2C1 ZINC000576848711 321601647 /nfs/dbraw/zinc/60/16/47/321601647.db2.gz POBMJTIBQNYZHN-MRXNPFEDSA-N 2 0 344.503 1.856 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000577846774 321687436 /nfs/dbraw/zinc/68/74/36/321687436.db2.gz ZRXYPOKSUCFPPG-IBGZPJMESA-N 2 0 342.487 1.530 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cn1cccn1 ZINC000310816975 444292927 /nfs/dbraw/zinc/29/29/27/444292927.db2.gz JEQNRQAXAJGVHC-ZGXWSNOMSA-N 2 0 340.471 1.744 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000325261945 444362804 /nfs/dbraw/zinc/36/28/04/444362804.db2.gz YGYXIKGTAYXLTB-UHFFFAOYSA-N 2 0 331.416 1.112 20 0 EDADRP CN(C/C=C\CN(C)[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000340196919 444368936 /nfs/dbraw/zinc/36/89/36/444368936.db2.gz GEOKNBJQIXNKQA-JGAFRWBPSA-N 2 0 332.536 1.880 20 0 EDADRP Cc1cc2ncc([C@H](C)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c(C)n2n1 ZINC000325810968 444369455 /nfs/dbraw/zinc/36/94/55/444369455.db2.gz KEBHZKAGUSYRAY-CWRNSKLLSA-N 2 0 329.448 1.860 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000326442133 444374750 /nfs/dbraw/zinc/37/47/50/444374750.db2.gz WUEZMBNOWAAMKK-ZWKOTPCHSA-N 2 0 338.540 1.672 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)C2)CC1 ZINC000579588279 321950988 /nfs/dbraw/zinc/95/09/88/321950988.db2.gz HCKANDOBBPFBCD-LPHOPBHVSA-N 2 0 344.503 1.947 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H](C)[NH3+] ZINC000580559582 322067241 /nfs/dbraw/zinc/06/72/41/322067241.db2.gz OOPZVTAYVAJCOP-PBHICJAKSA-N 2 0 333.480 1.069 20 0 EDADRP CC(C)COc1ccccc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000580632198 322075832 /nfs/dbraw/zinc/07/58/32/322075832.db2.gz VMNKUTNUDZWFJY-MRXNPFEDSA-N 2 0 334.464 1.506 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000580881053 322107219 /nfs/dbraw/zinc/10/72/19/322107219.db2.gz DGMBXRDPGXGVHF-INIZCTEOSA-N 2 0 348.447 1.401 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000581192892 322148157 /nfs/dbraw/zinc/14/81/57/322148157.db2.gz IWSFDTYIOWHGRQ-CABCVRRESA-N 2 0 337.489 1.778 20 0 EDADRP C[C@H](N[C@H]1CCN(C(=O)COc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000581878460 322227060 /nfs/dbraw/zinc/22/70/60/322227060.db2.gz GDTWVTVKLFFXAM-XYJFISCASA-N 2 0 331.460 1.787 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342131466 444525097 /nfs/dbraw/zinc/52/50/97/444525097.db2.gz HXNVGYTZCDGGEG-CAMMJAKZSA-N 2 0 345.487 1.938 20 0 EDADRP C[C@H]1C[C@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340912243 444572572 /nfs/dbraw/zinc/57/25/72/444572572.db2.gz FRLQZGOFTHJOFW-YJBOKZPZSA-N 2 0 331.460 1.354 20 0 EDADRP CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC1 ZINC000341080949 444663432 /nfs/dbraw/zinc/66/34/32/444663432.db2.gz IBNYNYUPVSRPBL-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000342470256 444704490 /nfs/dbraw/zinc/70/44/90/444704490.db2.gz VSFHLYULAMMYSA-WMLDXEAASA-N 2 0 343.475 1.046 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)CC2)cn1 ZINC000333895335 444710936 /nfs/dbraw/zinc/71/09/36/444710936.db2.gz YZBVREDKHRQVEC-RDJZCZTQSA-N 2 0 348.495 1.118 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333902533 444714010 /nfs/dbraw/zinc/71/40/10/444714010.db2.gz BWJWKOVXWXDEPU-CABCVRRESA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000333946605 444726177 /nfs/dbraw/zinc/72/61/77/444726177.db2.gz UVEKCKNYQAPSFD-GJZGRUSLSA-N 2 0 331.464 1.438 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000333645663 444687320 /nfs/dbraw/zinc/68/73/20/444687320.db2.gz YBMKFQYXWIQDNT-HUUCEWRRSA-N 2 0 345.491 1.628 20 0 EDADRP Cc1ccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338438557 444696177 /nfs/dbraw/zinc/69/61/77/444696177.db2.gz RHXOTDOLPGXMMX-QGZVFWFLSA-N 2 0 328.460 1.942 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341274040 444757820 /nfs/dbraw/zinc/75/78/20/444757820.db2.gz LFCNAYXXPPXCLJ-KRWDZBQOSA-N 2 0 331.464 1.479 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000342698372 444821465 /nfs/dbraw/zinc/82/14/65/444821465.db2.gz SXKGCMVBCNKTMU-VQHPVUNQSA-N 2 0 325.497 1.628 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000336872674 444817100 /nfs/dbraw/zinc/81/71/00/444817100.db2.gz QMYBDWIGIGABDN-UHFFFAOYSA-N 2 0 339.505 1.711 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344212696 444842805 /nfs/dbraw/zinc/84/28/05/444842805.db2.gz LXAYPMBWATUHHJ-QAPCUYQASA-N 2 0 332.492 1.408 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@H]4CO)ncn3)C2)C1 ZINC000330181140 444876018 /nfs/dbraw/zinc/87/60/18/444876018.db2.gz GKVOGQXVCKIJKH-MAUKXSAKSA-N 2 0 331.464 1.360 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337031421 444908481 /nfs/dbraw/zinc/90/84/81/444908481.db2.gz GFCXMKFALFBIBV-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342889264 444921146 /nfs/dbraw/zinc/92/11/46/444921146.db2.gz FJPFBENGLDQKCX-HNNXBMFYSA-N 2 0 331.460 1.841 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(OCCO)CCOCC1 ZINC000337315310 445029739 /nfs/dbraw/zinc/02/97/39/445029739.db2.gz XAOZZYUWTXJXTE-UHFFFAOYSA-N 2 0 346.431 1.223 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341772555 444993873 /nfs/dbraw/zinc/99/38/73/444993873.db2.gz XEOTUCDTTFXFND-MJGOQNOKSA-N 2 0 344.503 1.118 20 0 EDADRP CN(CCC[NH+]1CCCC1)C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000337279419 445013649 /nfs/dbraw/zinc/01/36/49/445013649.db2.gz UEXIDOQLTTZHMH-HNNXBMFYSA-N 2 0 336.432 1.573 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067507 445017496 /nfs/dbraw/zinc/01/74/96/445017496.db2.gz LBNLHMWBQCTWLM-HUUCEWRRSA-N 2 0 334.464 1.458 20 0 EDADRP CNC(=O)C[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000337462889 445092022 /nfs/dbraw/zinc/09/20/22/445092022.db2.gz LGKPWXXRUJYEBF-LJQANCHMSA-N 2 0 346.519 1.870 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342098577 445171453 /nfs/dbraw/zinc/17/14/53/445171453.db2.gz ILAOJTFGJLLREP-OSFYFWSMSA-N 2 0 348.422 1.922 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342122303 445183899 /nfs/dbraw/zinc/18/38/99/445183899.db2.gz BIXRWNIDGMISHD-JQHSSLGASA-N 2 0 331.460 1.713 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000345874442 445201084 /nfs/dbraw/zinc/20/10/84/445201084.db2.gz FYWFFQVPEIAMLJ-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000345972293 445203214 /nfs/dbraw/zinc/20/32/14/445203214.db2.gz LYTIODTWCUFXMB-IAGOWNOFSA-N 2 0 336.480 1.143 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000347529616 445241895 /nfs/dbraw/zinc/24/18/95/445241895.db2.gz ZQMMRLQRNBACJG-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C1 ZINC000347676087 445244621 /nfs/dbraw/zinc/24/46/21/445244621.db2.gz XLCMJOKCXPDRIO-GVDBMIGSSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[N@@H+]1C ZINC000343625852 445269242 /nfs/dbraw/zinc/26/92/42/445269242.db2.gz NPCJHCLHTBFJRB-MAUKXSAKSA-N 2 0 345.491 1.828 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CN(C)C[C@H]3C)cc2)CC1 ZINC000343587722 445252718 /nfs/dbraw/zinc/25/27/18/445252718.db2.gz FOWNVHSHDANETC-XLIONFOSSA-N 2 0 330.520 1.864 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000351770947 445315127 /nfs/dbraw/zinc/31/51/27/445315127.db2.gz RHQPQLKQSHLWDF-KRWDZBQOSA-N 2 0 330.476 1.997 20 0 EDADRP Cc1ccc([C@@H](CN2CCOCC2)NC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC000356982679 445359180 /nfs/dbraw/zinc/35/91/80/445359180.db2.gz VJPSXNSJWUZPPN-QZTJIDSGSA-N 2 0 331.460 1.579 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000359665056 445365225 /nfs/dbraw/zinc/36/52/25/445365225.db2.gz VELOFSSRVSSVIN-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354754906 445367742 /nfs/dbraw/zinc/36/77/42/445367742.db2.gz LZXPHSDXVFSTLY-OAHLLOKOSA-N 2 0 332.448 1.253 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21)c1ccccc1 ZINC000354789815 445390278 /nfs/dbraw/zinc/39/02/78/445390278.db2.gz MABFFPFBIMAYNN-IPMKNSEASA-N 2 0 345.487 1.906 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000352041555 445455918 /nfs/dbraw/zinc/45/59/18/445455918.db2.gz ZBAOBGRPBPSVAW-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP Cc1ncc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000352043125 445456698 /nfs/dbraw/zinc/45/66/98/445456698.db2.gz AIOZOXVSEROVIW-UHFFFAOYSA-N 2 0 347.507 1.701 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000352052211 445460202 /nfs/dbraw/zinc/46/02/02/445460202.db2.gz IZCZMSFGLCWIAI-DLBZAZTESA-N 2 0 326.529 1.543 20 0 EDADRP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704502 445509591 /nfs/dbraw/zinc/50/95/91/445509591.db2.gz JPPIPASNCIDROF-USXIJHARSA-N 2 0 335.496 1.650 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000357258351 445511600 /nfs/dbraw/zinc/51/16/00/445511600.db2.gz NZMYEIVOGUUPAO-CQSZACIVSA-N 2 0 345.451 1.182 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000357304341 445537098 /nfs/dbraw/zinc/53/70/98/445537098.db2.gz HYEYLZXOAILZSD-QZTJIDSGSA-N 2 0 349.475 1.523 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCN(CCOC)[C@@H](C)C1 ZINC000359919611 445489311 /nfs/dbraw/zinc/48/93/11/445489311.db2.gz VPWPGDUTSBQKFM-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357244939 445504097 /nfs/dbraw/zinc/50/40/97/445504097.db2.gz SXYDWDZQARKGPR-MAUKXSAKSA-N 2 0 331.460 1.707 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000362795651 445552652 /nfs/dbraw/zinc/55/26/52/445552652.db2.gz RNTBYHFBZRRXSS-GPANFISMSA-N 2 0 333.480 1.658 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CC1 ZINC000360168268 445608050 /nfs/dbraw/zinc/60/80/50/445608050.db2.gz CSUKPNCYWAQCSL-QGZVFWFLSA-N 2 0 336.455 1.182 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353455501 445610158 /nfs/dbraw/zinc/61/01/58/445610158.db2.gz XSOAUHUAAZLHIH-MHORFTMASA-N 2 0 336.524 1.392 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCO1 ZINC000358510089 445624362 /nfs/dbraw/zinc/62/43/62/445624362.db2.gz BCIWSRYCUVZUDB-INIZCTEOSA-N 2 0 335.473 1.035 20 0 EDADRP CC1CC[NH+](CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360247428 445654768 /nfs/dbraw/zinc/65/47/68/445654768.db2.gz BRUDUYBLJWKZRP-INIZCTEOSA-N 2 0 328.526 1.455 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000353635927 445685296 /nfs/dbraw/zinc/68/52/96/445685296.db2.gz NXNBJHACDYPRDL-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCOCC[NH+](C)C ZINC000353688046 445708294 /nfs/dbraw/zinc/70/82/94/445708294.db2.gz NWOBDXBJMFWFKP-CQSZACIVSA-N 2 0 333.432 1.229 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000363312412 445762276 /nfs/dbraw/zinc/76/22/76/445762276.db2.gz KVJBYPVVLIXZCC-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000350087549 445764769 /nfs/dbraw/zinc/76/47/69/445764769.db2.gz JHJGEBCOYFCIGS-KRWDZBQOSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1c[nH]c2nccnc12)C(=O)NCC[NH+](C)C ZINC000356443073 445792010 /nfs/dbraw/zinc/79/20/10/445792010.db2.gz VNYPNERBVDAMDN-AWEZNQCLSA-N 2 0 332.452 1.092 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC000361513150 445796541 /nfs/dbraw/zinc/79/65/41/445796541.db2.gz BKKDHSUJJQEROY-KRWDZBQOSA-N 2 0 349.479 1.417 20 0 EDADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000358830851 445798249 /nfs/dbraw/zinc/79/82/49/445798249.db2.gz RHAVIUVCIGLLLN-OKILXGFUSA-N 2 0 342.528 1.171 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358862930 445816636 /nfs/dbraw/zinc/81/66/36/445816636.db2.gz IJKGKCDKAROUOR-GOSISDBHSA-N 2 0 349.450 1.439 20 0 EDADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000361692668 445880312 /nfs/dbraw/zinc/88/03/12/445880312.db2.gz FMIMZUORJNIHMQ-CYBMUJFWSA-N 2 0 344.381 1.908 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCOCC[NH+](C)C ZINC000359001702 445882173 /nfs/dbraw/zinc/88/21/73/445882173.db2.gz JYUBLRCQFNPBLM-AWEZNQCLSA-N 2 0 343.493 1.180 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356610631 445884380 /nfs/dbraw/zinc/88/43/80/445884380.db2.gz UNUQLGKZWPILJN-ZWKOTPCHSA-N 2 0 338.540 1.593 20 0 EDADRP CC[NH+](CC)[C@@H](CN1C(=O)N[C@H](Cc2c[nH]cn2)C1=O)c1ccco1 ZINC000359022233 445893414 /nfs/dbraw/zinc/89/34/14/445893414.db2.gz WRISMYGOXDDCAG-KGLIPLIRSA-N 2 0 345.403 1.549 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000361727848 445901334 /nfs/dbraw/zinc/90/13/34/445901334.db2.gz MTWUQDPMEIUYMM-MRXNPFEDSA-N 2 0 346.479 1.293 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000582300135 325815979 /nfs/dbraw/zinc/81/59/79/325815979.db2.gz DCGKICGWGXOAAQ-QGZVFWFLSA-N 2 0 325.497 1.628 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC2)CC1 ZINC000369157916 445959425 /nfs/dbraw/zinc/95/94/25/445959425.db2.gz VITYIQUSYVXRDV-KRWDZBQOSA-N 2 0 338.540 1.735 20 0 EDADRP O=C(CCn1ccnc1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000369160276 445961919 /nfs/dbraw/zinc/96/19/19/445961919.db2.gz AJZSPCFNLHLXIT-KRWDZBQOSA-N 2 0 327.432 1.697 20 0 EDADRP C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@@H]([NH3+])c1ccccc1 ZINC000583203662 326026175 /nfs/dbraw/zinc/02/61/75/326026175.db2.gz QCQWDLJEBARKRG-LIRZEXBASA-N 2 0 331.460 1.677 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]Cc2cnccn2)[C@@H](c2ccccc2)C1 ZINC000583249016 326033001 /nfs/dbraw/zinc/03/30/01/326033001.db2.gz ZNLCVCFAADTONT-LJQANCHMSA-N 2 0 325.460 1.945 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000583386370 326063374 /nfs/dbraw/zinc/06/33/74/326063374.db2.gz UDPYTIFCOZLIPD-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000583628758 326107691 /nfs/dbraw/zinc/10/76/91/326107691.db2.gz UYZQQYXAUPBWEB-GOSISDBHSA-N 2 0 346.519 1.856 20 0 EDADRP COC[C@H](C)OC[C@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373148743 446058592 /nfs/dbraw/zinc/05/85/92/446058592.db2.gz YXUJZZHGBMHUMA-GBESFXJTSA-N 2 0 342.524 1.987 20 0 EDADRP CO[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000359229040 446058642 /nfs/dbraw/zinc/05/86/42/446058642.db2.gz HOUHRTRHJQROON-MSOLQXFVSA-N 2 0 331.460 1.861 20 0 EDADRP CC(C)[C@H](C)NC(=O)C1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351441014 446066400 /nfs/dbraw/zinc/06/64/00/446066400.db2.gz JMDQFFLBBZKARY-WMLDXEAASA-N 2 0 325.497 1.314 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000359254914 446090294 /nfs/dbraw/zinc/09/02/94/446090294.db2.gz VFHMOMKOJZLEST-OWCLPIDISA-N 2 0 340.512 1.022 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347504 446167331 /nfs/dbraw/zinc/16/73/31/446167331.db2.gz OQINQACZFGKOOW-SQNIBIBYSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369662658 446143400 /nfs/dbraw/zinc/14/34/00/446143400.db2.gz HUQSCVIWMSZYPM-HNNXBMFYSA-N 2 0 348.495 2.146 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000373299648 446152543 /nfs/dbraw/zinc/15/25/43/446152543.db2.gz AFEQUJVFVHBBGS-HOTGVXAUSA-N 2 0 332.448 1.379 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366329872 446156171 /nfs/dbraw/zinc/15/61/71/446156171.db2.gz ZKAPHPSQSIVJMN-CRAIPNDOSA-N 2 0 338.540 1.672 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000359394478 446196794 /nfs/dbraw/zinc/19/67/94/446196794.db2.gz ULHHTRAZRKNZGX-AWEZNQCLSA-N 2 0 345.447 1.159 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453621 446215896 /nfs/dbraw/zinc/21/58/96/446215896.db2.gz XVMDOGJHDRSECT-CABCVRRESA-N 2 0 327.469 1.060 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCC[C@H]1CO ZINC000370300122 446221173 /nfs/dbraw/zinc/22/11/73/446221173.db2.gz NJEGWTSKKPQAFO-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000365550823 446250882 /nfs/dbraw/zinc/25/08/82/446250882.db2.gz UWVURAFCBUUQDX-OAHLLOKOSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@H]1CN(C(=O)c2cnccc2N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370372854 446252065 /nfs/dbraw/zinc/25/20/65/446252065.db2.gz FIAHDRKSTMQZJN-DOTOQJQBSA-N 2 0 345.491 1.246 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCO[C@H]1C ZINC000359526527 446276693 /nfs/dbraw/zinc/27/66/93/446276693.db2.gz VHOYMHCZVQARGA-GVDBMIGSSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC1(N2CCOCC2)CCCC1)c1ccccc1 ZINC000373907519 446340646 /nfs/dbraw/zinc/34/06/46/446340646.db2.gz RMKJNVGJJIKQPK-GOSISDBHSA-N 2 0 331.460 1.622 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000417482035 446353644 /nfs/dbraw/zinc/35/36/44/446353644.db2.gz ORDWKMYLSGEEIZ-INIZCTEOSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417505608 446356961 /nfs/dbraw/zinc/35/69/61/446356961.db2.gz OOPMGWLEJBKGEF-YQVWRLOYSA-N 2 0 344.503 1.943 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000370637480 446367706 /nfs/dbraw/zinc/36/77/06/446367706.db2.gz XCYGQVUJJTXRCD-QZTJIDSGSA-N 2 0 331.460 1.419 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417667719 446369403 /nfs/dbraw/zinc/36/94/03/446369403.db2.gz HJYNZUADLFSDCR-NXOAAHMSSA-N 2 0 340.512 1.515 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000417824986 446373854 /nfs/dbraw/zinc/37/38/54/446373854.db2.gz ATSJCAUPPOUTLE-SFHVURJKSA-N 3 0 330.476 1.363 20 0 EDADRP C[NH+](C)CC(=O)N1CCN(c2cc[nH+]cc2-c2cccnc2)CC1 ZINC000370667379 446379221 /nfs/dbraw/zinc/37/92/21/446379221.db2.gz ZULLCVCWJPGNGY-UHFFFAOYSA-N 2 0 325.416 1.354 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417897795 446379921 /nfs/dbraw/zinc/37/99/21/446379921.db2.gz XAHTXWBGTMPEKV-GOSISDBHSA-N 2 0 347.507 1.838 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1F ZINC000417925555 446387807 /nfs/dbraw/zinc/38/78/07/446387807.db2.gz CKACGDBWLQJYNR-XYPWUTKMSA-N 2 0 334.439 1.970 20 0 EDADRP CC(C)OC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370691673 446389356 /nfs/dbraw/zinc/38/93/56/446389356.db2.gz QFLPFWDAEKBLFI-SFHVURJKSA-N 2 0 327.513 1.263 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@@H]1c1ccccc1 ZINC000417933929 446390276 /nfs/dbraw/zinc/39/02/76/446390276.db2.gz FBOCBPCRESZKRS-XDNAFOTISA-N 2 0 328.460 1.968 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)ccn1 ZINC000417947978 446395959 /nfs/dbraw/zinc/39/59/59/446395959.db2.gz IMDNIJGOGLAFBZ-GOSISDBHSA-N 2 0 349.479 1.211 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1c1ccccc1 ZINC000417953195 446398081 /nfs/dbraw/zinc/39/80/81/446398081.db2.gz ZBPFBIMTURDKFB-MELADBBJSA-N 2 0 326.391 1.714 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417369515 446349553 /nfs/dbraw/zinc/34/95/53/446349553.db2.gz SGHWOXHDLMODEB-WBVHZDCISA-N 2 0 348.491 1.944 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@@H](C[NH3+])C1 ZINC000418059053 446427564 /nfs/dbraw/zinc/42/75/64/446427564.db2.gz SJGLLLTUROCSOX-QZTJIDSGSA-N 2 0 348.491 1.438 20 0 EDADRP COC1(C(=O)N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)CC[NH2+]CC1 ZINC000370773882 446431632 /nfs/dbraw/zinc/43/16/32/446431632.db2.gz PQEZPPKNUZFTRW-OKZBNKHCSA-N 2 0 343.471 1.516 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000418073868 446433376 /nfs/dbraw/zinc/43/33/76/446433376.db2.gz DVHZNMGCGFKWLB-ZDUSSCGKSA-N 2 0 338.418 1.902 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418101690 446440973 /nfs/dbraw/zinc/44/09/73/446440973.db2.gz GHTNXQGLYXYOBK-FHWLQOOXSA-N 2 0 342.487 1.759 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000420268972 446441384 /nfs/dbraw/zinc/44/13/84/446441384.db2.gz HHVUADUHUUEJRJ-CYBMUJFWSA-N 2 0 333.432 1.149 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000418171720 446445356 /nfs/dbraw/zinc/44/53/56/446445356.db2.gz VJFNMUXMHRJMGJ-KGLIPLIRSA-N 2 0 336.436 1.093 20 0 EDADRP CC[C@@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423168659 446446516 /nfs/dbraw/zinc/44/65/16/446446516.db2.gz HOPSCDUWAOLRBV-QZTJIDSGSA-N 2 0 338.540 1.293 20 0 EDADRP CCS(=O)(=O)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184775 446448199 /nfs/dbraw/zinc/44/81/99/446448199.db2.gz NJEARGZDQJJLAZ-NVXWUHKLSA-N 2 0 338.473 1.657 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)NCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417983949 446406643 /nfs/dbraw/zinc/40/66/43/446406643.db2.gz FXSONOGDLSDQPG-IRXDYDNUSA-N 2 0 332.448 1.621 20 0 EDADRP C[C@H](NC(=O)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374829820 446409729 /nfs/dbraw/zinc/40/97/29/446409729.db2.gz VNTDUXHEFPBWKH-WMZOPIPTSA-N 2 0 330.476 1.854 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N[C@H]1CCCC[NH2+]C1 ZINC000418003974 446412870 /nfs/dbraw/zinc/41/28/70/446412870.db2.gz ZEPNNJIYNSJILE-ZWKOTPCHSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000418007764 446413419 /nfs/dbraw/zinc/41/34/19/446413419.db2.gz GOKUKAWGRNZHFH-CBZIJGRNSA-N 2 0 330.476 1.899 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418192237 446456007 /nfs/dbraw/zinc/45/60/07/446456007.db2.gz MEEFSTMQGURTOM-GDBMZVCRSA-N 2 0 349.479 1.291 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418192231 446456041 /nfs/dbraw/zinc/45/60/41/446456041.db2.gz MDJKYQSSUJZHTJ-QXCFHYIPSA-N 2 0 342.487 1.900 20 0 EDADRP COc1ccc(-c2noc(CN3CC[C@@H]([NH3+])[C@@H](C)C3)n2)c(OC)c1 ZINC000420292752 446456495 /nfs/dbraw/zinc/45/64/95/446456495.db2.gz PXGIOTWSFOPIID-SMDDNHRTSA-N 2 0 332.404 1.923 20 0 EDADRP O=C(COc1ccc(F)cc1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420297746 446459458 /nfs/dbraw/zinc/45/94/58/446459458.db2.gz DKFBDJWPURUSAL-INIZCTEOSA-N 2 0 349.450 1.738 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420296071 446459611 /nfs/dbraw/zinc/45/96/11/446459611.db2.gz CZINSCMQMIKAMH-INIZCTEOSA-N 2 0 339.505 1.595 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000418211227 446459821 /nfs/dbraw/zinc/45/98/21/446459821.db2.gz KRSPAQOEYJCCPJ-WMZOPIPTSA-N 2 0 346.475 1.411 20 0 EDADRP c1csc(-c2noc(CN3CC[NH+](CC[C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000420298168 446461183 /nfs/dbraw/zinc/46/11/83/446461183.db2.gz GXYBASORIUWGRO-CQSZACIVSA-N 2 0 347.488 1.915 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423240322 446462175 /nfs/dbraw/zinc/46/21/75/446462175.db2.gz CCVCEMORDOJVDD-VXGBXAGGSA-N 2 0 328.254 1.589 20 0 EDADRP CO[C@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418243303 446471653 /nfs/dbraw/zinc/47/16/53/446471653.db2.gz WESNUHPNCPEZFB-ULQDDVLXSA-N 2 0 340.512 1.645 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311934 446475125 /nfs/dbraw/zinc/47/51/25/446475125.db2.gz WJBXJLWJOOMGQF-ZFWWWQNUSA-N 2 0 340.489 1.635 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000423319194 446486906 /nfs/dbraw/zinc/48/69/06/446486906.db2.gz DCKRREWGDUQRSV-PMPSAXMXSA-N 2 0 347.507 1.880 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]C[C@](C)(F)C1)c1ccccc1 ZINC000420324439 446491613 /nfs/dbraw/zinc/49/16/13/446491613.db2.gz BYQYWNFVTLUPMX-WMZOPIPTSA-N 2 0 336.455 1.039 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423328138 446489026 /nfs/dbraw/zinc/48/90/26/446489026.db2.gz SCQZAOQCJXDDIT-GJZGRUSLSA-N 2 0 333.480 1.443 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(NC(=O)C3CC3)CC2)cc1 ZINC000420327878 446496252 /nfs/dbraw/zinc/49/62/52/446496252.db2.gz ZAWKDRVUUOOWJD-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP COC[C@@]1(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423336477 446492950 /nfs/dbraw/zinc/49/29/50/446492950.db2.gz SUYZKNOHCQBJDY-SOLBZPMBSA-N 2 0 325.497 1.487 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423364002 446501901 /nfs/dbraw/zinc/50/19/01/446501901.db2.gz OOBIUEXVLJQJRU-WCQYABFASA-N 2 0 328.254 1.731 20 0 EDADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423365493 446503159 /nfs/dbraw/zinc/50/31/59/446503159.db2.gz KFHYNADRTHBTTF-LJGDNWOOSA-N 2 0 339.430 1.767 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418341997 446506642 /nfs/dbraw/zinc/50/66/42/446506642.db2.gz PQRQBJKVPKDOBY-FHLIZLRMSA-N 2 0 346.475 1.440 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000423383530 446510226 /nfs/dbraw/zinc/51/02/26/446510226.db2.gz JMHLFAAMQWPGJJ-RDJZCZTQSA-N 2 0 333.476 1.366 20 0 EDADRP C[C@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000420339900 446510608 /nfs/dbraw/zinc/51/06/08/446510608.db2.gz ZHTCRXMDUFKYGS-YJLNNSPDSA-N 2 0 331.460 1.692 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423392135 446515608 /nfs/dbraw/zinc/51/56/08/446515608.db2.gz XLXNHRQHPYLWTB-LSDHHAIUSA-N 2 0 345.491 1.634 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000423356205 446498113 /nfs/dbraw/zinc/49/81/13/446498113.db2.gz JNUUCOFJYIHUSH-HZPDHXFCSA-N 2 0 347.507 1.737 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423359838 446499703 /nfs/dbraw/zinc/49/97/03/446499703.db2.gz PQXSYWXVMRWVPV-DOTOQJQBSA-N 2 0 333.480 1.658 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000420331502 446500443 /nfs/dbraw/zinc/50/04/43/446500443.db2.gz CBUCBLWURDVLEV-BQFCYCMXSA-N 2 0 343.471 1.948 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418480953 446558893 /nfs/dbraw/zinc/55/88/93/446558893.db2.gz DCOHIIBXNWRAKW-KRWDZBQOSA-N 2 0 347.507 1.040 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCCO2 ZINC000420346273 446518997 /nfs/dbraw/zinc/51/89/97/446518997.db2.gz XYJNRPXDUXPVQC-LSDHHAIUSA-N 2 0 345.443 1.718 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000423410687 446521207 /nfs/dbraw/zinc/52/12/07/446521207.db2.gz SJOPZPFFQLUZIP-CRAIPNDOSA-N 2 0 325.497 1.629 20 0 EDADRP COCC1(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC[NH2+]CC1 ZINC000418396033 446528320 /nfs/dbraw/zinc/52/83/20/446528320.db2.gz ZCRQCNZPEFEVTN-OAHLLOKOSA-N 2 0 326.485 1.209 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423425505 446531462 /nfs/dbraw/zinc/53/14/62/446531462.db2.gz MHNAMAKNJONTDW-CVEARBPZSA-N 2 0 347.507 1.881 20 0 EDADRP Cc1nn(C)c(C)c1[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433145182 446536638 /nfs/dbraw/zinc/53/66/38/446536638.db2.gz PKLVELVKMSXCAQ-QGZVFWFLSA-N 2 0 347.507 1.904 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000433162508 446541675 /nfs/dbraw/zinc/54/16/75/446541675.db2.gz ZUJLXTYTKCDSFC-MRXNPFEDSA-N 2 0 344.459 1.111 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000418440737 446543933 /nfs/dbraw/zinc/54/39/33/446543933.db2.gz HQBKPBSVFRCNHE-QGZVFWFLSA-N 2 0 340.512 1.445 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000418454073 446548754 /nfs/dbraw/zinc/54/87/54/446548754.db2.gz AQHGKPKONQBTBV-AWEZNQCLSA-N 2 0 335.452 1.439 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418454281 446549018 /nfs/dbraw/zinc/54/90/18/446549018.db2.gz QAYZYPKCRWZMHI-QGZVFWFLSA-N 2 0 335.496 1.211 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)CC[NH2+]CC1 ZINC000423474071 446550269 /nfs/dbraw/zinc/55/02/69/446550269.db2.gz JHTOLXAPAVZIRO-OLZOCXBDSA-N 3 0 333.423 1.142 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1 ZINC000418457950 446550697 /nfs/dbraw/zinc/55/06/97/446550697.db2.gz HIONCPPKIQELTB-MRXNPFEDSA-N 2 0 349.523 1.731 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453599505 446568331 /nfs/dbraw/zinc/56/83/31/446568331.db2.gz RMVCTGHIRMMMLY-UHFFFAOYSA-N 2 0 335.496 1.529 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418600120 446610423 /nfs/dbraw/zinc/61/04/23/446610423.db2.gz KIWDBTUFPDSIIZ-NXHRZFHOSA-N 2 0 348.491 1.167 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418613381 446616063 /nfs/dbraw/zinc/61/60/63/446616063.db2.gz JSFNWJHMPPBAAU-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000418505962 446569944 /nfs/dbraw/zinc/56/99/44/446569944.db2.gz GQDJBOQJCBUYQC-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000418507245 446571804 /nfs/dbraw/zinc/57/18/04/446571804.db2.gz IMUCIWJHNOIOBS-IAGOWNOFSA-N 2 0 346.475 1.050 20 0 EDADRP O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1)N1CC[NH2+]CC1 ZINC000420421133 446595893 /nfs/dbraw/zinc/59/58/93/446595893.db2.gz YLOMSUJWWDVWCN-NVXWUHKLSA-N 2 0 339.386 1.206 20 0 EDADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574418 446601137 /nfs/dbraw/zinc/60/11/37/446601137.db2.gz VJLFEESETJVSPC-XJKSGUPXSA-N 2 0 340.418 1.613 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1CC ZINC000418597792 446608562 /nfs/dbraw/zinc/60/85/62/446608562.db2.gz PXHHMGOCZGJPSM-IRXDYDNUSA-N 2 0 340.512 1.646 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418737788 446661768 /nfs/dbraw/zinc/66/17/68/446661768.db2.gz WCIAULPDGMBTCZ-WBVHZDCISA-N 2 0 333.480 1.815 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000423748816 446677973 /nfs/dbraw/zinc/67/79/73/446677973.db2.gz QUPINTKZKBRARG-KKUMJFAQSA-N 2 0 327.469 1.236 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000418774728 446692510 /nfs/dbraw/zinc/69/25/10/446692510.db2.gz VVTXTTJFZIEXFN-UONOGXRCSA-N 2 0 348.438 1.126 20 0 EDADRP CN(C(=O)NCCN1CCOCC1(C)C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376746777 446692748 /nfs/dbraw/zinc/69/27/48/446692748.db2.gz PYZHBQVGXFFYNM-XYPWUTKMSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767228 446693951 /nfs/dbraw/zinc/69/39/51/446693951.db2.gz ABCJWHSWKOJRFI-JYPHPWERSA-N 2 0 345.487 1.910 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418794087 446706093 /nfs/dbraw/zinc/70/60/93/446706093.db2.gz QTTXRBORBPOGPP-QGZVFWFLSA-N 2 0 348.491 1.575 20 0 EDADRP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776431 446711563 /nfs/dbraw/zinc/71/15/63/446711563.db2.gz HWPMMDQQVMFTLU-HODAJMAFSA-N 2 0 336.480 1.116 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376777652 446713934 /nfs/dbraw/zinc/71/39/34/446713934.db2.gz LLYNRYFCHJVSEI-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833631 446721645 /nfs/dbraw/zinc/72/16/45/446721645.db2.gz TXWIBUVWWIHMOZ-KURKYZTESA-N 2 0 345.443 1.078 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371271401 446730635 /nfs/dbraw/zinc/73/06/35/446730635.db2.gz QIVWNDVUZCQKFK-OTWHNJEPSA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CCCC1 ZINC000418835717 446740460 /nfs/dbraw/zinc/74/04/60/446740460.db2.gz ZONRVYGMVOWRMA-MRXNPFEDSA-N 2 0 346.475 1.041 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000371291712 446748588 /nfs/dbraw/zinc/74/85/88/446748588.db2.gz LKAMITHZBVYPGS-LJFWHQRKSA-N 2 0 331.460 1.103 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423905142 446756069 /nfs/dbraw/zinc/75/60/69/446756069.db2.gz OXKFWDLWOPVVPQ-GBESFXJTSA-N 2 0 343.471 1.488 20 0 EDADRP O=C([C@@H]1COCCN1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917431 446767442 /nfs/dbraw/zinc/76/74/42/446767442.db2.gz ZNZPBUSGHHOFBV-QYZOEREBSA-N 2 0 343.471 1.488 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032984 446795063 /nfs/dbraw/zinc/79/50/63/446795063.db2.gz IDCJJUYUBSSRNI-OGWHTMIXSA-N 2 0 345.487 1.468 20 0 EDADRP CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423998473 446815098 /nfs/dbraw/zinc/81/50/98/446815098.db2.gz PFIRLCMSKWEYKJ-ZACQAIPSSA-N 2 0 345.491 1.807 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424062821 446835691 /nfs/dbraw/zinc/83/56/91/446835691.db2.gz WBLKBLIDSRTRPO-HNNXBMFYSA-N 2 0 342.447 1.181 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000424166680 446862090 /nfs/dbraw/zinc/86/20/90/446862090.db2.gz ZXKDZZHQCLYNMR-AWEZNQCLSA-N 2 0 331.464 1.483 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000419009119 446864172 /nfs/dbraw/zinc/86/41/72/446864172.db2.gz MSOGJTQLJYDPNE-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP C[NH+](C)C1(CNc2cc(C3CC3)nc(NCC3([NH+](C)C)CC3)n2)CC1 ZINC000419010492 446865677 /nfs/dbraw/zinc/86/56/77/446865677.db2.gz PZGZTNACFOOJPW-UHFFFAOYSA-N 2 0 344.507 1.210 20 0 EDADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000368467256 446881113 /nfs/dbraw/zinc/88/11/13/446881113.db2.gz VXRVBQXRLRIEJT-IXDOHACOSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]1CN(CC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000375593337 446911370 /nfs/dbraw/zinc/91/13/70/446911370.db2.gz XJNQIKLXQZGPPD-KRWDZBQOSA-N 2 0 332.492 1.951 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000377107986 446926031 /nfs/dbraw/zinc/92/60/31/446926031.db2.gz XPIGVGUFANZGBM-OAHLLOKOSA-N 2 0 337.430 1.790 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610686 446914809 /nfs/dbraw/zinc/91/48/09/446914809.db2.gz PWJFECPNSILNND-HZPDHXFCSA-N 2 0 339.528 1.137 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000419126110 446938288 /nfs/dbraw/zinc/93/82/88/446938288.db2.gz LXHUDSGOSBLLRV-HZPDHXFCSA-N 2 0 340.512 1.117 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419125800 446938444 /nfs/dbraw/zinc/93/84/44/446938444.db2.gz USLJKCBIINSMOW-GJZGRUSLSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442777525 446965294 /nfs/dbraw/zinc/96/52/94/446965294.db2.gz IYBNSRIYGLIUSO-QLFBSQMISA-N 2 0 328.460 1.884 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000419198169 447007013 /nfs/dbraw/zinc/00/70/13/447007013.db2.gz YQOIIYVKDJUXOJ-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP COC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099677 447000352 /nfs/dbraw/zinc/00/03/52/447000352.db2.gz XOQWTFXUGCPAOF-DZGCQCFKSA-N 2 0 337.489 1.626 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000413102132 447002262 /nfs/dbraw/zinc/00/22/62/447002262.db2.gz VBUWQGLISSNMDO-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCCC[NH3+] ZINC000419196394 447005096 /nfs/dbraw/zinc/00/50/96/447005096.db2.gz ATXFHBWDALLWKO-OAHLLOKOSA-N 2 0 346.475 1.142 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000377283521 447039316 /nfs/dbraw/zinc/03/93/16/447039316.db2.gz REOYTZCKLKFWMN-QGZVFWFLSA-N 2 0 340.512 1.397 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372344599 447041693 /nfs/dbraw/zinc/04/16/93/447041693.db2.gz CTBCWEFWIDICBQ-IAGOWNOFSA-N 2 0 347.507 1.704 20 0 EDADRP NC(=O)NC(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368691747 447041788 /nfs/dbraw/zinc/04/17/88/447041788.db2.gz ISFCBZCWVAKFDO-DLBZAZTESA-N 2 0 344.459 1.415 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)C1(C)C ZINC000372495839 447088883 /nfs/dbraw/zinc/08/88/83/447088883.db2.gz ISAGCNBVHAZOAW-NNFUDEMPSA-N 2 0 349.450 1.611 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)c1c[nH+]ccc1N)c1ccccc1 ZINC000444181404 447090442 /nfs/dbraw/zinc/09/04/42/447090442.db2.gz IYTKDOLQGHCLIB-GOSISDBHSA-N 2 0 342.443 1.934 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH2+]1 ZINC000444183075 447090743 /nfs/dbraw/zinc/09/07/43/447090743.db2.gz MFFKKYONPQCYHA-UONOGXRCSA-N 2 0 327.350 1.758 20 0 EDADRP Cc1cc(NCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851125 447098853 /nfs/dbraw/zinc/09/88/53/447098853.db2.gz KSKPQTWANOJHIA-RBSFLKMASA-N 2 0 329.452 1.307 20 0 EDADRP CC[C@@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)[NH+](C)C ZINC000413303401 447126600 /nfs/dbraw/zinc/12/66/00/447126600.db2.gz QCBPPDSNPREPFL-RDJZCZTQSA-N 2 0 346.475 1.663 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375897807 447130115 /nfs/dbraw/zinc/13/01/15/447130115.db2.gz LSSWVGXANAOZBS-KURKYZTESA-N 2 0 331.460 1.887 20 0 EDADRP CN(CCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21)CC[NH+](C)C ZINC000377437181 447132957 /nfs/dbraw/zinc/13/29/57/447132957.db2.gz ATDFQGLNQHAFGF-MRXNPFEDSA-N 2 0 333.480 1.508 20 0 EDADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)C[C@H]2C1 ZINC000425527788 447212332 /nfs/dbraw/zinc/21/23/32/447212332.db2.gz NYOQYKTVFLDPGS-GRLHSABHSA-N 2 0 336.520 1.951 20 0 EDADRP CN1CC[NH+](C[C@@H]2CCCN(Cc3cnc4cnccn34)C2)CC1 ZINC000377630039 447256172 /nfs/dbraw/zinc/25/61/72/447256172.db2.gz RYPBQUQKGFEAQU-INIZCTEOSA-N 2 0 328.464 1.189 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)C1)[NH+](C)C ZINC000413721464 447228797 /nfs/dbraw/zinc/22/87/97/447228797.db2.gz JNGQFVVEHHPKDZ-FZKCQIBNSA-N 2 0 340.512 1.115 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000425676921 447264324 /nfs/dbraw/zinc/26/43/24/447264324.db2.gz IABTVVBKJRHCHF-OKZBNKHCSA-N 2 0 334.508 1.987 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425787173 447303512 /nfs/dbraw/zinc/30/35/12/447303512.db2.gz VGIRJTSLUWNKMH-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COC[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000379666288 447453547 /nfs/dbraw/zinc/45/35/47/447453547.db2.gz VTXTVOVNILKGNH-QUCCMNQESA-N 2 0 345.487 1.783 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)c1 ZINC000415515106 447491161 /nfs/dbraw/zinc/49/11/61/447491161.db2.gz CYRQJMVMLAVUQW-GDBMZVCRSA-N 2 0 346.475 1.663 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458863486 447491559 /nfs/dbraw/zinc/49/15/59/447491559.db2.gz YSYHSDQVKCKRMX-KRWDZBQOSA-N 2 0 340.512 1.399 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000450450553 447492376 /nfs/dbraw/zinc/49/23/76/447492376.db2.gz HFOVNRDDVWOQOC-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419930119 447497386 /nfs/dbraw/zinc/49/73/86/447497386.db2.gz NRFLXFGGMMUOTA-DLBZAZTESA-N 2 0 346.475 1.135 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000426781373 447500234 /nfs/dbraw/zinc/50/02/34/447500234.db2.gz BPFSYYSMLPCXDJ-FCEWJHQRSA-N 2 0 349.519 1.961 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000419948452 447507424 /nfs/dbraw/zinc/50/74/24/447507424.db2.gz FRPMWCNORKIHKK-OAHLLOKOSA-N 2 0 328.501 1.053 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000450502809 447509825 /nfs/dbraw/zinc/50/98/25/447509825.db2.gz QIBMXGOMASZELQ-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000426899215 447514319 /nfs/dbraw/zinc/51/43/19/447514319.db2.gz ZGKAKUIFQDBRQE-HLLBOEOZSA-N 2 0 349.475 1.799 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000457102156 447516921 /nfs/dbraw/zinc/51/69/21/447516921.db2.gz ZNEYNWCIHKAWEV-INIZCTEOSA-N 2 0 345.491 1.388 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCCc1cn(C)cn1)c1ccco1 ZINC000458770280 447474734 /nfs/dbraw/zinc/47/47/34/447474734.db2.gz NSLYWLULDAMDPZ-DZGCQCFKSA-N 2 0 333.436 1.984 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000427292986 447575896 /nfs/dbraw/zinc/57/58/96/447575896.db2.gz WMNBXRAUELOXJP-PKOBYXMFSA-N 2 0 344.503 1.481 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400431266 447572078 /nfs/dbraw/zinc/57/20/78/447572078.db2.gz JWPDEZNERQDNRB-GJZGRUSLSA-N 2 0 329.485 1.942 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361159 447572332 /nfs/dbraw/zinc/57/23/32/447572332.db2.gz QETSGYRDNQOHAX-CABCVRRESA-N 2 0 329.485 1.800 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000420111431 447609172 /nfs/dbraw/zinc/60/91/72/447609172.db2.gz CKKWJARZAYJIHF-GRDNDAEWSA-N 2 0 344.459 1.018 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000420129226 447621682 /nfs/dbraw/zinc/62/16/82/447621682.db2.gz PWBAJPVCDOOXEQ-AWEZNQCLSA-N 2 0 346.475 1.265 20 0 EDADRP Cc1ccc(NCCCNC(=O)NCC[C@H]2CCC[N@@H+](C)C2)nc1 ZINC000457723054 447622323 /nfs/dbraw/zinc/62/23/23/447622323.db2.gz CNOMOOPRXGVPSF-MRXNPFEDSA-N 2 0 333.480 2.223 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([C@@H](C)[NH3+])CC2)C1 ZINC000416863887 447697803 /nfs/dbraw/zinc/69/78/03/447697803.db2.gz HJDRWZBWUJZZLA-GDBMZVCRSA-N 2 0 326.485 1.112 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000422603828 447665143 /nfs/dbraw/zinc/66/51/43/447665143.db2.gz AFWZNRLKXVLOGT-SWLSCSKDSA-N 2 0 340.418 1.837 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000420216011 447673633 /nfs/dbraw/zinc/67/36/33/447673633.db2.gz WPXKWVYTPVUXNL-CVEARBPZSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000457929460 447674859 /nfs/dbraw/zinc/67/48/59/447674859.db2.gz JRWQBLGSWRHABL-BRWVUGGUSA-N 2 0 340.512 1.253 20 0 EDADRP CON1CCC([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000459578502 447712176 /nfs/dbraw/zinc/71/21/76/447712176.db2.gz IVRPKTJGVDXUKI-GOSISDBHSA-N 2 0 348.491 1.363 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000416927404 447712766 /nfs/dbraw/zinc/71/27/66/447712766.db2.gz AQUGLPFBJGOKNN-MRXNPFEDSA-N 2 0 348.495 1.006 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H](C)O1 ZINC000416941203 447716842 /nfs/dbraw/zinc/71/68/42/447716842.db2.gz JRNKDFHGKNXFFU-BPKGMFCQSA-N 2 0 338.496 1.173 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000416946426 447721635 /nfs/dbraw/zinc/72/16/35/447721635.db2.gz OFPQEPWTBIETPZ-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422738886 447734309 /nfs/dbraw/zinc/73/43/09/447734309.db2.gz KGORIFYOAPJUSN-JQHSSLGASA-N 2 0 332.492 1.122 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@H]3COC[C@H]32)CC1 ZINC000459666442 447735904 /nfs/dbraw/zinc/73/59/04/447735904.db2.gz CDXONRVBZKPGKJ-DLBZAZTESA-N 2 0 335.492 1.476 20 0 EDADRP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766277 447744212 /nfs/dbraw/zinc/74/42/12/447744212.db2.gz LSASWJJMCVYGHS-XMTFNYHQSA-N 2 0 325.497 1.090 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000422839354 447765145 /nfs/dbraw/zinc/76/51/45/447765145.db2.gz ZZADYKJVFXBQSY-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl ZINC000422794084 447751310 /nfs/dbraw/zinc/75/13/10/447751310.db2.gz GHHOJPVQQSXWIX-GWIFVGGISA-N 2 0 344.858 1.972 20 0 EDADRP COCCCN(C)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790789 447751419 /nfs/dbraw/zinc/75/14/19/447751419.db2.gz XYOFULPXMUCNER-PKOBYXMFSA-N 2 0 333.476 1.800 20 0 EDADRP CC[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422815525 447757268 /nfs/dbraw/zinc/75/72/68/447757268.db2.gz XTBGKJUDYFYEOS-CVEARBPZSA-N 2 0 325.478 1.387 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000471875780 447816123 /nfs/dbraw/zinc/81/61/23/447816123.db2.gz XLCVJUMKPRHVFB-UXHICEINSA-N 2 0 331.504 1.991 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843202 447766872 /nfs/dbraw/zinc/76/68/72/447766872.db2.gz HIWRRJAGYDIBEC-PKOBYXMFSA-N 3 0 331.508 1.701 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422914195 447771128 /nfs/dbraw/zinc/77/11/28/447771128.db2.gz SCPQZTJACXYQEE-CRAIPNDOSA-N 3 0 332.492 1.456 20 0 EDADRP C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422914450 447771831 /nfs/dbraw/zinc/77/18/31/447771831.db2.gz UGQLCYOQTDTZHG-QAPCUYQASA-N 2 0 332.492 1.598 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)c1 ZINC000422916411 447772418 /nfs/dbraw/zinc/77/24/18/447772418.db2.gz ALJVFFSUBNMDQY-JRSKDTKFSA-N 2 0 347.459 1.916 20 0 EDADRP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422952386 447779666 /nfs/dbraw/zinc/77/96/66/447779666.db2.gz AXFOBNSONILMRP-OTWHNJEPSA-N 2 0 348.535 1.441 20 0 EDADRP C(N[C@H](C1CC1)[C@H]1C[NH2+]CCO1)C1([NH+]2CCCCC2)CCOCC1 ZINC000422959412 447780661 /nfs/dbraw/zinc/78/06/61/447780661.db2.gz RXIZOZQQIGLKGH-QZTJIDSGSA-N 2 0 337.508 1.378 20 0 EDADRP C[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961997 447781668 /nfs/dbraw/zinc/78/16/68/447781668.db2.gz BMQFFGYPLKKXGB-WMLDXEAASA-N 2 0 326.444 1.564 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)CCc2ccccc2)CC[NH2+]CC1 ZINC000423027865 447793766 /nfs/dbraw/zinc/79/37/66/447793766.db2.gz FFGJZYTVQYTBKF-SJLPKXTDSA-N 2 0 348.487 1.891 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000423033494 447795550 /nfs/dbraw/zinc/79/55/50/447795550.db2.gz OMQPWVJTFNRXEQ-ATZDWAIDSA-N 2 0 333.476 1.110 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1(N2CCOCC2)CC1 ZINC000423071324 447799348 /nfs/dbraw/zinc/79/93/48/447799348.db2.gz FHVCNSXSXCJNCI-YLJYHZDGSA-N 2 0 343.471 1.697 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2ccnn2C)C1 ZINC000423084705 447802522 /nfs/dbraw/zinc/80/25/22/447802522.db2.gz IPEHKOSQHFTSHL-RYQLBKOJSA-N 2 0 327.476 1.937 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000471635472 447806384 /nfs/dbraw/zinc/80/63/84/447806384.db2.gz KDDFKXUXTUSASG-IAGOWNOFSA-N 2 0 334.464 1.309 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423113544 447807474 /nfs/dbraw/zinc/80/74/74/447807474.db2.gz YLWVSJSSOIYFHU-AAEUAGOBSA-N 2 0 333.354 1.879 20 0 EDADRP CC[C@H](C(=O)N[C@@H](CN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000489581588 447864280 /nfs/dbraw/zinc/86/42/80/447864280.db2.gz KCOPXQHQCFNBLJ-ARFHVFGLSA-N 2 0 342.528 1.266 20 0 EDADRP CN(CCC[NH3+])C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000569791329 447889663 /nfs/dbraw/zinc/88/96/63/447889663.db2.gz FMIPDHQPPJVTHZ-UHFFFAOYSA-N 2 0 332.448 1.071 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665624 447897452 /nfs/dbraw/zinc/89/74/52/447897452.db2.gz MDLWEXJINKIBOO-WMZOPIPTSA-N 2 0 345.487 1.954 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000525294347 447989997 /nfs/dbraw/zinc/98/99/97/447989997.db2.gz NRYLVPATYKYEMW-ARFHVFGLSA-N 2 0 326.485 1.125 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525690540 448012208 /nfs/dbraw/zinc/01/22/08/448012208.db2.gz SPHOGSBPVLQIKW-FQEVSTJZSA-N 2 0 345.487 1.472 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccccc2F)CC1(C)C ZINC000576100892 447971197 /nfs/dbraw/zinc/97/11/97/447971197.db2.gz HYOBMOFQPNSPJK-HNNXBMFYSA-N 2 0 339.455 1.181 20 0 EDADRP C[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000497289634 448044497 /nfs/dbraw/zinc/04/44/97/448044497.db2.gz OPQSLABNMYYWBH-QAPCUYQASA-N 2 0 343.512 1.974 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570668455 448045789 /nfs/dbraw/zinc/04/57/89/448045789.db2.gz XTEAZECFIIZAFX-AYOQOUSVSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571065617 448104104 /nfs/dbraw/zinc/10/41/04/448104104.db2.gz LODWJKBEIJEUDD-YOEHRIQHSA-N 2 0 348.495 1.553 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502738000 448104527 /nfs/dbraw/zinc/10/45/27/448104527.db2.gz HICZMGGTFOFKFE-OKZBNKHCSA-N 2 0 335.492 1.715 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000571153666 448111804 /nfs/dbraw/zinc/11/18/04/448111804.db2.gz OHVWNVXADGSNKU-HKUYNNGSSA-N 2 0 335.492 1.356 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571522994 448164771 /nfs/dbraw/zinc/16/47/71/448164771.db2.gz SHIIDDIVXVHKGJ-ABHNRTSZSA-N 2 0 336.524 1.582 20 0 EDADRP CN(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(Cl)cn1 ZINC000591287163 448307184 /nfs/dbraw/zinc/30/71/84/448307184.db2.gz YJUZZMDTBVHFCF-UHFFFAOYSA-N 2 0 341.887 1.123 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[N@@H+]1C1CC1 ZINC000515504730 448323908 /nfs/dbraw/zinc/32/39/08/448323908.db2.gz DELDBAUTSSNORH-UNEWFSDZSA-N 2 0 337.533 1.945 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC[NH2+]C1 ZINC000582604449 448287984 /nfs/dbraw/zinc/28/79/84/448287984.db2.gz GEQYLXLSCVCCGL-KXBFYZLASA-N 2 0 346.475 1.349 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c1 ZINC000572112523 448288758 /nfs/dbraw/zinc/28/87/58/448288758.db2.gz ODKYWVOBYMFATR-HOJAQTOUSA-N 2 0 348.487 1.702 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000533123035 448363518 /nfs/dbraw/zinc/36/35/18/448363518.db2.gz LGFPTQHXCXBGFG-SFHVURJKSA-N 2 0 326.444 1.807 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000577713662 448364813 /nfs/dbraw/zinc/36/48/13/448364813.db2.gz VRMIKATVRNXPKK-XWTMOSNGSA-N 2 0 328.460 1.383 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000582953926 448387041 /nfs/dbraw/zinc/38/70/41/448387041.db2.gz DYCKCEZNXNHWPV-YJBOKZPZSA-N 2 0 330.476 1.948 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCC(OC)CC2)CC[NH2+]CC1 ZINC000591568428 448392079 /nfs/dbraw/zinc/39/20/79/448392079.db2.gz CBDKNMDZUASVOE-HNNXBMFYSA-N 2 0 341.496 1.008 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC[C@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857458 448405086 /nfs/dbraw/zinc/40/50/86/448405086.db2.gz IUHROKHDYIZQKG-NVXWUHKLSA-N 2 0 343.471 1.570 20 0 EDADRP O=c1c2ccccc2ncn1CC[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000577953288 448424832 /nfs/dbraw/zinc/42/48/32/448424832.db2.gz YVFQEMUFGHMBCI-MRXNPFEDSA-N 2 0 326.444 1.718 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000566436477 448469369 /nfs/dbraw/zinc/46/93/69/448469369.db2.gz LCTHDWDOGGPPQZ-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000566610759 448518455 /nfs/dbraw/zinc/51/84/55/448518455.db2.gz XOUYQVCABCPHAH-NXHRZFHOSA-N 2 0 346.475 1.409 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000578502608 448562494 /nfs/dbraw/zinc/56/24/94/448562494.db2.gz WKIDKANGSSFWFT-INIZCTEOSA-N 2 0 348.495 1.223 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)Cc1ccc(F)cc1C ZINC000566855554 448572571 /nfs/dbraw/zinc/57/25/71/448572571.db2.gz SFLNCHGYAUNFGD-UWWQBHOKSA-N 2 0 335.467 1.969 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000584730956 448614021 /nfs/dbraw/zinc/61/40/21/448614021.db2.gz CEWCTDPOZRCPHY-SJLPKXTDSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000578740384 448622652 /nfs/dbraw/zinc/62/26/52/448622652.db2.gz FGQHQOJGTGXYSW-MKXGPGLRSA-N 2 0 341.540 1.557 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000584769624 448624577 /nfs/dbraw/zinc/62/45/77/448624577.db2.gz VLHGVJGVRQMVEX-MSOLQXFVSA-N 2 0 346.475 1.420 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566923765 448588057 /nfs/dbraw/zinc/58/80/57/448588057.db2.gz JZRJYPQICQTJAD-HOCLYGCPSA-N 2 0 325.522 1.757 20 0 EDADRP C[C@H](CNC(=O)NC(C)(C)CN1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000566960711 448591706 /nfs/dbraw/zinc/59/17/06/448591706.db2.gz UODOTEXHTQPYJC-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000573548824 448654592 /nfs/dbraw/zinc/65/45/92/448654592.db2.gz HPUMFBWCRTWJTB-OKZBNKHCSA-N 2 0 330.476 1.916 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CNC[C@@H](C2CCCCC2)[NH+](C)C)C[C@@H](C)O1 ZINC000573594576 448666980 /nfs/dbraw/zinc/66/69/80/448666980.db2.gz BPBGYJWHWGRNHI-RWQQGDIJSA-N 2 0 341.540 1.557 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H]([NH2+]CC2(C[NH2+][C@H]3[C@@H](C)O[C@@H](C)[C@H]3C)COC2)[C@H]1C ZINC000528770021 448667421 /nfs/dbraw/zinc/66/74/21/448667421.db2.gz YMBQZSQZOWUOFC-MJGPRRAXSA-N 2 0 340.508 1.806 20 0 EDADRP O=C(c1cn(C[C@H]2CCC[NH2+]2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000573681043 448687533 /nfs/dbraw/zinc/68/75/33/448687533.db2.gz OBQBLMYEIAAVFF-OAHLLOKOSA-N 2 0 346.479 1.121 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000567571525 448715678 /nfs/dbraw/zinc/71/56/78/448715678.db2.gz LPYZUNMUMCIGJG-KSSFIOAISA-N 2 0 328.460 1.657 20 0 EDADRP C[C@@H](CC(=O)NCC1([NH+]2CCCCC2)CCOCC1)n1ccnc1 ZINC000567593697 448719335 /nfs/dbraw/zinc/71/93/35/448719335.db2.gz DQJDALPFOIRQIU-INIZCTEOSA-N 2 0 334.464 1.986 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000528996580 448731234 /nfs/dbraw/zinc/73/12/34/448731234.db2.gz YUFXLGGPFHXLLA-MRXNPFEDSA-N 2 0 348.495 1.973 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000567909659 448780776 /nfs/dbraw/zinc/78/07/76/448780776.db2.gz MRLYGWFRFUQWOF-IBGZPJMESA-N 2 0 344.503 1.563 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000519682347 448817415 /nfs/dbraw/zinc/81/74/15/448817415.db2.gz AKFBTRQFDLJKJK-UHFFFAOYSA-N 2 0 339.505 1.206 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]([NH3+])C3CC3)CC2)cc1 ZINC000579567714 448822385 /nfs/dbraw/zinc/82/23/85/448822385.db2.gz WGCQNJBFCGPQCG-QGZVFWFLSA-N 2 0 337.489 1.475 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000529334748 448830301 /nfs/dbraw/zinc/83/03/01/448830301.db2.gz VWWQYSICRWRWHU-QGZVFWFLSA-N 2 0 346.475 1.583 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529363459 448841285 /nfs/dbraw/zinc/84/12/85/448841285.db2.gz FLTGTFPTFDXWEN-DLBZAZTESA-N 2 0 349.523 1.083 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000519816274 448849901 /nfs/dbraw/zinc/84/99/01/448849901.db2.gz CPVLRWCMSBHPEI-WMZOPIPTSA-N 2 0 334.460 1.647 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CCCCC1 ZINC000592478232 448853646 /nfs/dbraw/zinc/85/36/46/448853646.db2.gz OGDRYFAMZQGZHT-AWEZNQCLSA-N 2 0 333.480 1.714 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CCCCC1 ZINC000592478233 448854164 /nfs/dbraw/zinc/85/41/64/448854164.db2.gz OGDRYFAMZQGZHT-CQSZACIVSA-N 2 0 333.480 1.714 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493992 448861875 /nfs/dbraw/zinc/86/18/75/448861875.db2.gz YKQDSGXRERELLI-HRCADAONSA-N 2 0 338.496 1.568 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574569189 448904233 /nfs/dbraw/zinc/90/42/33/448904233.db2.gz KCTMQXSADLNDQB-RDTXWAMCSA-N 2 0 328.460 1.738 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(n2cc(Br)cn2)CC1 ZINC000568757050 448915556 /nfs/dbraw/zinc/91/55/56/448915556.db2.gz GCPOEVMZMLLRIY-ZDUSSCGKSA-N 2 0 331.258 1.253 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2conc2C(C)(C)[NH3+])C1 ZINC000579972226 448925378 /nfs/dbraw/zinc/92/53/78/448925378.db2.gz RCAWQHGMAKJYRO-ZDUSSCGKSA-N 2 0 338.452 1.441 20 0 EDADRP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000579827678 448887411 /nfs/dbraw/zinc/88/74/11/448887411.db2.gz UARWOIVUWDMMAI-NVXWUHKLSA-N 2 0 334.460 1.899 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c21 ZINC000592537478 448887479 /nfs/dbraw/zinc/88/74/79/448887479.db2.gz FYVBXLVXINDWNI-LZWOXQAQSA-N 2 0 331.464 1.323 20 0 EDADRP C[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)c1cccc(N2CCCS2(=O)=O)c1 ZINC000574747868 448946215 /nfs/dbraw/zinc/94/62/15/448946215.db2.gz UOYMTUJTWBDSSE-LSDHHAIUSA-N 2 0 337.489 1.877 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000569333354 449003326 /nfs/dbraw/zinc/00/33/26/449003326.db2.gz MSCOIWBILFNJQY-AWEZNQCLSA-N 2 0 326.510 1.481 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000582120877 449016512 /nfs/dbraw/zinc/01/65/12/449016512.db2.gz WVAIBMXSPOFSEC-LZWOXQAQSA-N 2 0 328.501 1.548 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000582171039 449027522 /nfs/dbraw/zinc/02/75/22/449027522.db2.gz BVXGLRSZZVDOBI-HZPDHXFCSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCC[NH+]3CCCCCC3)c21 ZINC000592954869 449075057 /nfs/dbraw/zinc/07/50/57/449075057.db2.gz GCWRDZHCBXGKDZ-OAHLLOKOSA-N 2 0 333.480 1.715 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592957125 449077641 /nfs/dbraw/zinc/07/76/41/449077641.db2.gz PDZHZGPPVJCQIR-CQSZACIVSA-N 2 0 333.480 1.664 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[C@H](C[NH+]4CCCCC4)C3)c21 ZINC000592964391 449087529 /nfs/dbraw/zinc/08/75/29/449087529.db2.gz JEQMUUQNZIUJJV-CVEARBPZSA-N 2 0 345.491 1.667 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240964 449092118 /nfs/dbraw/zinc/09/21/18/449092118.db2.gz OJHHMJFYUMANJV-KRWDZBQOSA-N 2 0 325.497 1.726 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]C[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000600188234 449232778 /nfs/dbraw/zinc/23/27/78/449232778.db2.gz APXYVQNRWPNHKV-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP COc1cc2[nH+]ccc(N3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)c2cc1OC ZINC000596014452 449315505 /nfs/dbraw/zinc/31/55/05/449315505.db2.gz QMYUVWNPISCFAB-AAEUAGOBSA-N 2 0 342.399 1.000 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000590846572 449319026 /nfs/dbraw/zinc/31/90/26/449319026.db2.gz PWBIQIUMABUAJI-HZPDHXFCSA-N 2 0 338.496 1.101 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@@H](C4CC[NH2+]CC4)C3)c21 ZINC000595962722 449284347 /nfs/dbraw/zinc/28/43/47/449284347.db2.gz UDBOGJPSKYHDFA-HZPDHXFCSA-N 2 0 345.491 1.571 20 0 EDADRP C[NH+]1CC2(C1)CCN(C(=O)c1ccc(CN3CC[NH+](C)CC3)cc1)C2 ZINC000614038794 449425619 /nfs/dbraw/zinc/42/56/19/449425619.db2.gz CLUSWKVKULILKM-UHFFFAOYSA-N 2 0 342.487 1.212 20 0 EDADRP C[S@@](=O)C1(C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000602471194 449617540 /nfs/dbraw/zinc/61/75/40/449617540.db2.gz JTHPAAFJZJJUIN-HSZRJFAPSA-N 2 0 343.537 1.260 20 0 EDADRP CC[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[NH+](CC)CC ZINC000617700338 449745071 /nfs/dbraw/zinc/74/50/71/449745071.db2.gz CGLGBSHLEGWYPY-MOPGFXCFSA-N 2 0 347.503 1.990 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617700782 449747348 /nfs/dbraw/zinc/74/73/48/449747348.db2.gz LDESQOWNSSJMEO-JTDSTZFVSA-N 2 0 345.487 1.742 20 0 EDADRP CC(C)(C)OC(=O)COCC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602732783 449774486 /nfs/dbraw/zinc/77/44/86/449774486.db2.gz KMLGFALYZNOIHS-UHFFFAOYSA-N 2 0 330.469 1.170 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000594947191 449815977 /nfs/dbraw/zinc/81/59/77/449815977.db2.gz XEPYDURVGRJDNP-BPQIPLTHSA-N 2 0 346.471 1.801 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601323144 449832077 /nfs/dbraw/zinc/83/20/77/449832077.db2.gz SVZOMFIQKCINIP-GASCZTMLSA-N 2 0 326.485 1.005 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000608629593 449890824 /nfs/dbraw/zinc/89/08/24/449890824.db2.gz OCNLSLHJYFGXFB-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892219 449930623 /nfs/dbraw/zinc/93/06/23/449930623.db2.gz JVZFSNHZCXKADJ-AYBZRNKSSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939222 449948547 /nfs/dbraw/zinc/94/85/47/449948547.db2.gz RJOXMSGWQYYABW-XJKSGUPXSA-N 2 0 332.448 1.357 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000617917440 449920239 /nfs/dbraw/zinc/92/02/39/449920239.db2.gz BWOKCNGDAWSQSX-INIZCTEOSA-N 2 0 345.491 1.963 20 0 EDADRP CN(CCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1 ZINC000615268337 450029833 /nfs/dbraw/zinc/02/98/33/450029833.db2.gz GWPINAJLHOQSCN-DLBZAZTESA-N 2 0 332.448 1.230 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CCOCC2)c1 ZINC000615307992 450055609 /nfs/dbraw/zinc/05/56/09/450055609.db2.gz JYORBNRVHMWWOG-CRAIPNDOSA-N 2 0 331.460 1.683 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613283927 450117450 /nfs/dbraw/zinc/11/74/50/450117450.db2.gz BFDDBXCFXZBATG-SFHVURJKSA-N 2 0 333.476 1.560 20 0 EDADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCC(=O)OC ZINC000599660262 450135406 /nfs/dbraw/zinc/13/54/06/450135406.db2.gz LGXMMUSBGIORDW-AWEZNQCLSA-N 2 0 335.448 1.248 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000603586919 450329281 /nfs/dbraw/zinc/32/92/81/450329281.db2.gz BHPKZZZJHQCYGQ-MRXNPFEDSA-N 2 0 345.491 1.782 20 0 EDADRP CCc1oc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C(=O)OC ZINC000619844862 450345481 /nfs/dbraw/zinc/34/54/81/450345481.db2.gz IFKHOGPUXNTMBH-CQSZACIVSA-N 2 0 349.475 1.887 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623485990 450530121 /nfs/dbraw/zinc/53/01/21/450530121.db2.gz IKKSQTVRUZKXMK-INIZCTEOSA-N 2 0 345.553 1.899 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)CC1(C)C ZINC000623546590 450540729 /nfs/dbraw/zinc/54/07/29/450540729.db2.gz IOURXFWQRAKHJS-INIZCTEOSA-N 2 0 325.497 1.330 20 0 EDADRP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623617069 450552031 /nfs/dbraw/zinc/55/20/31/450552031.db2.gz WGXADQFPHBYBSP-MAUKXSAKSA-N 2 0 325.497 1.065 20 0 EDADRP C[C@H](CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)n1ccnc1 ZINC000620917056 450561283 /nfs/dbraw/zinc/56/12/83/450561283.db2.gz AGUYKEFKROKJRH-CVEARBPZSA-N 2 0 334.464 1.936 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCO1 ZINC000620979596 450569010 /nfs/dbraw/zinc/56/90/10/450569010.db2.gz HRWZLSHAAMYJTI-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP CCC(O)(CC)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000626111565 450576948 /nfs/dbraw/zinc/57/69/48/450576948.db2.gz RFYTUCVDHOVGIV-QGZVFWFLSA-N 2 0 335.492 1.888 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000623890790 450626338 /nfs/dbraw/zinc/62/63/38/450626338.db2.gz WTAHZMRIPROUPK-RYQLBKOJSA-N 2 0 330.476 1.900 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627332497 450654381 /nfs/dbraw/zinc/65/43/81/450654381.db2.gz BHTOVMXJJBFLQS-HRCADAONSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[NH2+]1 ZINC000627363220 450676496 /nfs/dbraw/zinc/67/64/96/450676496.db2.gz JBVPWTFBVBMXRT-OWCLPIDISA-N 2 0 338.496 1.014 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCc2[nH]cnc2C1 ZINC000627366418 450679366 /nfs/dbraw/zinc/67/93/66/450679366.db2.gz RBCSCJVHIAKZBK-OAHLLOKOSA-N 2 0 325.416 1.602 20 0 EDADRP O=C(c1ccccc1F)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629554908 450733272 /nfs/dbraw/zinc/73/32/72/450733272.db2.gz BGDXGJMEUWWQED-INIZCTEOSA-N 2 0 349.450 1.477 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000629568540 450741250 /nfs/dbraw/zinc/74/12/50/450741250.db2.gz LCSGYWAAIHDJIR-GDBMZVCRSA-N 2 0 335.448 1.183 20 0 EDADRP COc1ccc(C[C@H](C)C[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000629575414 450744612 /nfs/dbraw/zinc/74/46/12/450744612.db2.gz OYTRRXRSTPKCKQ-RDJZCZTQSA-N 2 0 336.476 1.929 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000629653461 450772651 /nfs/dbraw/zinc/77/26/51/450772651.db2.gz JELREWBWXFBGHT-KRWDZBQOSA-N 2 0 329.444 1.782 20 0 EDADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590602 450752195 /nfs/dbraw/zinc/75/21/95/450752195.db2.gz WBJDNZGNASXEIZ-WBVHZDCISA-N 2 0 325.497 1.772 20 0 EDADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000629604223 450758677 /nfs/dbraw/zinc/75/86/77/450758677.db2.gz HIOIMCNMDVLJGG-HNNXBMFYSA-N 2 0 336.411 1.084 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@@H]2CCCCO2)C1 ZINC000631830096 450801820 /nfs/dbraw/zinc/80/18/20/450801820.db2.gz JLKNJBBLCKLXAR-HOTGVXAUSA-N 2 0 333.480 1.568 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621783774 450867245 /nfs/dbraw/zinc/86/72/45/450867245.db2.gz GDKNAJHDJLKQEL-ZHALLVOQSA-N 2 0 330.476 1.219 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000629912802 450881598 /nfs/dbraw/zinc/88/15/98/450881598.db2.gz NFGYUBFDXBUNQB-MSOLQXFVSA-N 2 0 331.460 1.081 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000629914242 450884243 /nfs/dbraw/zinc/88/42/43/450884243.db2.gz ZSMYQNGRYPTPLR-KRWDZBQOSA-N 2 0 326.400 1.044 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940373 450898049 /nfs/dbraw/zinc/89/80/49/450898049.db2.gz UVCRBWFZXKUWSV-IRXDYDNUSA-N 2 0 343.537 1.514 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000635457843 450958228 /nfs/dbraw/zinc/95/82/28/450958228.db2.gz QCFJATILZYNJPC-UHFFFAOYSA-N 2 0 348.535 1.537 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000635457740 450958286 /nfs/dbraw/zinc/95/82/86/450958286.db2.gz JWQSPAKTBPGMMT-KRWDZBQOSA-N 3 0 345.491 1.052 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@H]1COCCN1C ZINC000624732305 450967678 /nfs/dbraw/zinc/96/76/78/450967678.db2.gz ORKAXDJFPZJIKP-HNNXBMFYSA-N 2 0 338.452 1.074 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CN(Cc3ccncc3)CCO2)CC[N@@H+]1C ZINC000633694981 450989628 /nfs/dbraw/zinc/98/96/28/450989628.db2.gz WSRVBHWYAYTOBR-OKZBNKHCSA-N 2 0 346.475 1.129 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934733 451017449 /nfs/dbraw/zinc/01/74/49/451017449.db2.gz MFBHTOLFQXEXAQ-SJORKVTESA-N 2 0 332.448 1.111 20 0 EDADRP C[N@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000626934937 451017771 /nfs/dbraw/zinc/01/77/71/451017771.db2.gz RUAKPEYDOVTOEP-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626948773 451027479 /nfs/dbraw/zinc/02/74/79/451027479.db2.gz ZHFNRUSYRGHJGG-XHSDSOJGSA-N 2 0 328.501 1.230 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626951850 451029772 /nfs/dbraw/zinc/02/97/72/451029772.db2.gz JFEHLHOJRQCIGE-YNEHKIRRSA-N 2 0 338.418 1.885 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000626952787 451030714 /nfs/dbraw/zinc/03/07/14/451030714.db2.gz JMYAOVVSCJPTEZ-QGZVFWFLSA-N 2 0 336.480 1.475 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000626977956 451046254 /nfs/dbraw/zinc/04/62/54/451046254.db2.gz IAPNJKMFGFNUJE-GDBMZVCRSA-N 2 0 334.464 1.403 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(S(=O)(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC000632111707 451043582 /nfs/dbraw/zinc/04/35/82/451043582.db2.gz BCOROYCAIXHUAD-HZPDHXFCSA-N 2 0 329.510 1.218 20 0 EDADRP Cc1cc(C2(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2)on1 ZINC000635556248 451054030 /nfs/dbraw/zinc/05/40/30/451054030.db2.gz MGURIWRVEHXAJX-UHFFFAOYSA-N 2 0 336.480 1.747 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000626992022 451058938 /nfs/dbraw/zinc/05/89/38/451058938.db2.gz OBDNMZBTBMIROR-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000626993576 451060016 /nfs/dbraw/zinc/06/00/16/451060016.db2.gz YKFUMTUYDFTWSR-JKSUJKDBSA-N 2 0 326.485 1.316 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000624943023 451072863 /nfs/dbraw/zinc/07/28/63/451072863.db2.gz KMSATOMHJGCJAU-IXDOHACOSA-N 2 0 340.512 1.564 20 0 EDADRP CCN(CC[NH3+])C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000627009905 451073691 /nfs/dbraw/zinc/07/36/91/451073691.db2.gz LEASUZBUGRNVCZ-ZWKOTPCHSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019537 451084313 /nfs/dbraw/zinc/08/43/13/451084313.db2.gz HAJPDIPJKLBYBI-CGTJXYLNSA-N 2 0 346.475 1.327 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627027396 451088423 /nfs/dbraw/zinc/08/84/23/451088423.db2.gz OWILIIARIHRHJN-MRXNPFEDSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000635554227 451051622 /nfs/dbraw/zinc/05/16/22/451051622.db2.gz NJCZULVNLFJXJE-CQSZACIVSA-N 2 0 332.448 1.401 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000635616697 451108517 /nfs/dbraw/zinc/10/85/17/451108517.db2.gz UQXVKJQLBNTJST-ALOPSCKCSA-N 2 0 341.496 1.103 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCC[NH2+]Cc1cccnc1)C2 ZINC000627073088 451111905 /nfs/dbraw/zinc/11/19/05/451111905.db2.gz JNDZIZBWFOOTSA-HDICACEKSA-N 2 0 331.464 1.202 20 0 EDADRP O=C(N1CCC(OCC[NH+]2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635650668 451136247 /nfs/dbraw/zinc/13/62/47/451136247.db2.gz PQERWVSJTPDCGQ-UHFFFAOYSA-N 2 0 349.519 1.966 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632186681 451100375 /nfs/dbraw/zinc/10/03/75/451100375.db2.gz VVVFDPNGBQJELK-OAHLLOKOSA-N 2 0 331.526 1.464 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC3(CCSCC3)CC2)C1=O ZINC000630383435 451158512 /nfs/dbraw/zinc/15/85/12/451158512.db2.gz MPXYSUHLHYHKQT-AWEZNQCLSA-N 2 0 339.505 1.285 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3n[nH]cc32)CC1 ZINC000628157000 451161587 /nfs/dbraw/zinc/16/15/87/451161587.db2.gz PUHRZZJBIAXIPR-UHFFFAOYSA-N 2 0 329.448 1.453 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000627171658 451162078 /nfs/dbraw/zinc/16/20/78/451162078.db2.gz FZCODDFNOQPLSR-QGZVFWFLSA-N 2 0 348.491 1.386 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627249808 451207908 /nfs/dbraw/zinc/20/79/08/451207908.db2.gz GPGZURHXKXRUDA-MRXNPFEDSA-N 2 0 331.464 1.691 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000638084590 451247853 /nfs/dbraw/zinc/24/78/53/451247853.db2.gz FMPMEVZPVAZSAO-WSTZPKSXSA-N 2 0 345.487 1.434 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638085874 451251410 /nfs/dbraw/zinc/25/14/10/451251410.db2.gz UPKJJYHGFKCDSN-KRWDZBQOSA-N 2 0 346.519 1.826 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000638095226 451260915 /nfs/dbraw/zinc/26/09/15/451260915.db2.gz BJYPBGSMMKJUOB-VQIMIIECSA-N 2 0 349.475 2.000 20 0 EDADRP COC[C@@H]([NH3+])Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630595587 451268885 /nfs/dbraw/zinc/26/88/85/451268885.db2.gz HFIKVNDSYDOGMK-IRXDYDNUSA-N 2 0 329.448 1.316 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)CCC2C[NH2+]C2)CC1)Cc1ccccc1 ZINC000638102601 451269148 /nfs/dbraw/zinc/26/91/48/451269148.db2.gz VXEJZXJMHKZJBC-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638125683 451294812 /nfs/dbraw/zinc/29/48/12/451294812.db2.gz GIAPTFXOAHFYCL-MOPGFXCFSA-N 2 0 346.519 1.779 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000638127081 451297375 /nfs/dbraw/zinc/29/73/75/451297375.db2.gz UHBLNKJREWSKGF-PKOBYXMFSA-N 2 0 345.487 1.899 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)c(C)c2)CC1 ZINC000638134503 451306878 /nfs/dbraw/zinc/30/68/78/451306878.db2.gz NZYCFBVQKVGKPV-LJQANCHMSA-N 2 0 346.475 1.454 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638135762 451308816 /nfs/dbraw/zinc/30/88/16/451308816.db2.gz VEGKQBXGBVWHDV-QUCCMNQESA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638136876 451311473 /nfs/dbraw/zinc/31/14/73/451311473.db2.gz OKPOYQMRRYKKPQ-IBGZPJMESA-N 2 0 342.487 1.488 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638141999 451315975 /nfs/dbraw/zinc/31/59/75/451315975.db2.gz ADOVBXIXFQVCQS-HHXXYDBFSA-N 2 0 331.460 1.236 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638144228 451318122 /nfs/dbraw/zinc/31/81/22/451318122.db2.gz BQOLEIFMQSJEKO-QWHCGFSZSA-N 2 0 345.447 1.113 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638201038 451352296 /nfs/dbraw/zinc/35/22/96/451352296.db2.gz AGDXVURHQCDNBB-GXTWGEPZSA-N 2 0 345.447 1.031 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638201574 451352457 /nfs/dbraw/zinc/35/24/57/451352457.db2.gz DAKYRJBORPMPGD-AEFFLSMTSA-N 2 0 344.503 1.484 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC000638210719 451356703 /nfs/dbraw/zinc/35/67/03/451356703.db2.gz MCSIXKRRHOBZGD-JSGCOSHPSA-N 2 0 345.447 1.174 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000638211430 451357312 /nfs/dbraw/zinc/35/73/12/451357312.db2.gz RIPKUQGHXHQYAP-SJLPKXTDSA-N 2 0 344.503 1.627 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000638274265 451394078 /nfs/dbraw/zinc/39/40/78/451394078.db2.gz DTTADUVHGRDKNV-MSOLQXFVSA-N 2 0 331.460 1.270 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000638304332 451418723 /nfs/dbraw/zinc/41/87/23/451418723.db2.gz FMZBOSTYHTTWEF-UCLAIMLFSA-N 2 0 346.475 1.490 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000638357452 451457908 /nfs/dbraw/zinc/45/79/08/451457908.db2.gz MHQWFNXZONWNHM-ATLSCFEFSA-N 2 0 332.492 1.278 20 0 EDADRP CCn1ncc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)c1C ZINC000630880957 451458623 /nfs/dbraw/zinc/45/86/23/451458623.db2.gz XECOGJHDMLLWAE-INIZCTEOSA-N 2 0 335.496 1.700 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](OC)[C@H]3CCOC3)cn2)CC1 ZINC000638373930 451469941 /nfs/dbraw/zinc/46/99/41/451469941.db2.gz WOONQYIVENNKAZ-ROUUACIJSA-N 2 0 348.491 1.365 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000634700552 451474389 /nfs/dbraw/zinc/47/43/89/451474389.db2.gz BKCFJVMKGHPGKZ-OALUTQOASA-N 2 0 339.524 1.047 20 0 EDADRP C[NH+](C)[C@]1(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCSC1 ZINC000634706878 451484057 /nfs/dbraw/zinc/48/40/57/451484057.db2.gz WFJGAFHZLJVGLD-OALUTQOASA-N 2 0 349.544 1.650 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638398527 451488574 /nfs/dbraw/zinc/48/85/74/451488574.db2.gz UXVROOWBBOAXLO-SJLPKXTDSA-N 2 0 344.503 1.708 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000638339552 451443957 /nfs/dbraw/zinc/44/39/57/451443957.db2.gz MOYRDMFOVIFPBL-SQNIBIBYSA-N 2 0 347.459 1.440 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C)O1 ZINC000630865063 451447176 /nfs/dbraw/zinc/44/71/76/451447176.db2.gz APFAPTLMKFHZBC-RYRKJORJSA-N 2 0 346.475 1.523 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000634724053 451504624 /nfs/dbraw/zinc/50/46/24/451504624.db2.gz IUATYCKMSXCCBC-YZGWKJHDSA-N 3 0 331.504 1.801 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000638432808 451512382 /nfs/dbraw/zinc/51/23/82/451512382.db2.gz NCKVCTKBYNXUOX-GOSISDBHSA-N 2 0 345.487 1.444 20 0 EDADRP CO[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCOCC1 ZINC000638459497 451526422 /nfs/dbraw/zinc/52/64/22/451526422.db2.gz KEWSJUSYKXGOMW-LJQANCHMSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)C1 ZINC000631043633 451550117 /nfs/dbraw/zinc/55/01/17/451550117.db2.gz ZNOLFAUOKFSRHE-SJORKVTESA-N 2 0 335.496 1.916 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638555459 451575105 /nfs/dbraw/zinc/57/51/05/451575105.db2.gz GRBNUVLQGJKTHB-ZYHUDNBSSA-N 2 0 330.354 1.747 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638553242 451573808 /nfs/dbraw/zinc/57/38/08/451573808.db2.gz ROOMLNRRVZCCRG-HNNXBMFYSA-N 2 0 334.464 1.216 20 0 EDADRP CC1(C(=O)NC[C@@H]2COCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000638615661 451608171 /nfs/dbraw/zinc/60/81/71/451608171.db2.gz DVXZQDISJYAFRO-QGZVFWFLSA-N 2 0 331.460 1.393 20 0 EDADRP COc1cccc(C[C@@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000635008829 451648282 /nfs/dbraw/zinc/64/82/82/451648282.db2.gz KVLVRHANMBVPPX-CQSZACIVSA-N 2 0 327.432 1.938 20 0 EDADRP O=C(Nc1ccccc1CN1CCSCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632920648 451652000 /nfs/dbraw/zinc/65/20/00/451652000.db2.gz BKHMKRFUNAYWCA-GJZGRUSLSA-N 2 0 332.473 1.813 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)n2)CC1 ZINC000632941197 451661661 /nfs/dbraw/zinc/66/16/61/451661661.db2.gz VSKZOMJAGUHEGF-CQSZACIVSA-N 2 0 334.468 1.885 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000638883190 451718402 /nfs/dbraw/zinc/71/84/02/451718402.db2.gz XNQRPNXTRNGNFV-QZTJIDSGSA-N 2 0 341.459 1.498 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000640949223 451699967 /nfs/dbraw/zinc/69/99/67/451699967.db2.gz PVWKHJKHXPGJDO-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000638836132 451705702 /nfs/dbraw/zinc/70/57/02/451705702.db2.gz QFMFRDSWLRZVCE-BPQIPLTHSA-N 2 0 347.528 1.966 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852684 451711331 /nfs/dbraw/zinc/71/13/31/451711331.db2.gz ZSPFWXSQHGPSAJ-FHWLQOOXSA-N 2 0 345.487 1.911 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000638854925 451711828 /nfs/dbraw/zinc/71/18/28/451711828.db2.gz WMUMMWXHSUBJPQ-JCGIZDLHSA-N 2 0 331.460 1.472 20 0 EDADRP C[C@H]1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)[C@H]1C[NH3+] ZINC000632961324 451670582 /nfs/dbraw/zinc/67/05/82/451670582.db2.gz RACRPJQPOFDFGH-BBRMVZONSA-N 2 0 334.468 1.741 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632962882 451671010 /nfs/dbraw/zinc/67/10/10/451671010.db2.gz PQURWCROABZXKH-BBRMVZONSA-N 2 0 334.468 1.883 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N(C3CC3)[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000632961888 451671498 /nfs/dbraw/zinc/67/14/98/451671498.db2.gz VPSWUMUANRVVIT-INIZCTEOSA-N 2 0 332.452 1.508 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000636473576 451726664 /nfs/dbraw/zinc/72/66/64/451726664.db2.gz CQKVHGKDFGRJDM-ZWKOTPCHSA-N 2 0 348.491 1.435 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138556 451738664 /nfs/dbraw/zinc/73/86/64/451738664.db2.gz QLGAKEUYQLRYTD-SOLBZPMBSA-N 2 0 348.491 1.352 20 0 EDADRP COC[C@]1(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCCC[NH2+]1 ZINC000638978144 451744847 /nfs/dbraw/zinc/74/48/47/451744847.db2.gz VXXPZULGKKANEQ-KRWDZBQOSA-N 2 0 335.452 1.247 20 0 EDADRP O=C(Cc1ccc2c[nH]nc2c1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983495 451745953 /nfs/dbraw/zinc/74/59/53/451745953.db2.gz AZQZPFPDRYCNIO-UHFFFAOYSA-N 2 0 336.399 1.549 20 0 EDADRP O=C(CCCc1ccccn1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986587 451747041 /nfs/dbraw/zinc/74/70/41/451747041.db2.gz UQTDWOPLWWMFJH-UHFFFAOYSA-N 2 0 325.416 1.848 20 0 EDADRP CC(C)(C)C(=O)NCCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987915 451748066 /nfs/dbraw/zinc/74/80/66/451748066.db2.gz NNPBRBVFGYSDQS-UHFFFAOYSA-N 2 0 347.463 1.372 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003473 451751456 /nfs/dbraw/zinc/75/14/56/451751456.db2.gz ALKDSYDQLWQKAG-MJGOQNOKSA-N 2 0 331.460 1.312 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639019242 451752506 /nfs/dbraw/zinc/75/25/06/451752506.db2.gz DTFFPSOTBKZGQO-DZJNRPSUSA-N 2 0 331.460 1.520 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)c2ccccc21 ZINC000639064143 451760231 /nfs/dbraw/zinc/76/02/31/451760231.db2.gz KWJQMPJPGQVMTJ-ZBFHGGJFSA-N 2 0 339.443 1.900 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c2ccccc21 ZINC000639068670 451760731 /nfs/dbraw/zinc/76/07/31/451760731.db2.gz YYFXJIZFUVFXCC-CHWSQXEVSA-N 2 0 325.416 1.579 20 0 EDADRP C[N@H+](CCCn1ccnc1)Cc1ccc(Cl)c(S(N)(=O)=O)c1 ZINC000639175286 451785687 /nfs/dbraw/zinc/78/56/87/451785687.db2.gz LBLMJVRAXMBRKU-UHFFFAOYSA-N 2 0 342.852 1.706 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000639308081 451818241 /nfs/dbraw/zinc/81/82/41/451818241.db2.gz LEBMMUZLGRXUOE-MNEFBYGVSA-N 2 0 345.487 1.790 20 0 EDADRP CC(C)[C@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+]1CCCCC1 ZINC000649077100 451820230 /nfs/dbraw/zinc/82/02/30/451820230.db2.gz LWSQLSUQFYZXJW-HZPDHXFCSA-N 2 0 338.496 1.075 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000642178943 451831418 /nfs/dbraw/zinc/83/14/18/451831418.db2.gz UBHWPYZLVIIXFD-HUUCEWRRSA-N 2 0 346.475 1.230 20 0 EDADRP O=C(Cc1cn2c(n1)CCCC2)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000651521981 451887107 /nfs/dbraw/zinc/88/71/07/451887107.db2.gz MFJIWQRLOLKUQZ-DLBZAZTESA-N 2 0 346.475 1.522 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCN3CCc4ccccc43)CC2)C1 ZINC000644675992 451933297 /nfs/dbraw/zinc/93/32/97/451933297.db2.gz KJTKGKULYCRJRK-IBGZPJMESA-N 2 0 328.504 1.761 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)[C@H]2C1 ZINC000646916771 451935580 /nfs/dbraw/zinc/93/55/80/451935580.db2.gz QGBIVKCCYYYPEC-MJGOQNOKSA-N 2 0 342.487 1.361 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734459 451961607 /nfs/dbraw/zinc/96/16/07/451961607.db2.gz PYVYYJIFONXPAH-KSZLIROESA-N 2 0 330.476 1.041 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649288580 451963237 /nfs/dbraw/zinc/96/32/37/451963237.db2.gz ZKJZMKMAMSSEPN-OXQOHEQNSA-N 2 0 344.503 1.710 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649295471 451970752 /nfs/dbraw/zinc/97/07/52/451970752.db2.gz OBXZVULXOSHPIP-BZUAXINKSA-N 2 0 348.495 1.300 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1conc1C ZINC000637618674 451975778 /nfs/dbraw/zinc/97/57/78/451975778.db2.gz ALWPZBDAZVNIHN-INIZCTEOSA-N 2 0 337.468 1.541 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@@]2(N)CC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000649310091 451988672 /nfs/dbraw/zinc/98/86/72/451988672.db2.gz OXVWPSHGTNHNSL-PKOBYXMFSA-N 2 0 330.476 1.281 20 0 EDADRP CC1(OCC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[NH2+]C1 ZINC000649313021 451991612 /nfs/dbraw/zinc/99/16/12/451991612.db2.gz YSRVUBZIQIKCTM-UHFFFAOYSA-N 2 0 335.473 1.552 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000642976684 452004275 /nfs/dbraw/zinc/00/42/75/452004275.db2.gz MGBWCXGMUWYONU-RHSMWYFYSA-N 2 0 346.475 1.312 20 0 EDADRP COC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649335480 452016635 /nfs/dbraw/zinc/01/66/35/452016635.db2.gz FIBNWAIDXAKQHS-MJGOQNOKSA-N 2 0 331.460 1.536 20 0 EDADRP CCN1CCN(S(=O)(=O)c2cccc3c2CCN(C)C3)[C@@H](C)C1 ZINC000641488621 452019514 /nfs/dbraw/zinc/01/95/14/452019514.db2.gz GMNLHBUMVIMYIF-AWEZNQCLSA-N 2 0 337.489 1.389 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649343337 452023022 /nfs/dbraw/zinc/02/30/22/452023022.db2.gz ZBHPCXWNPZIAES-CQSZACIVSA-N 2 0 328.420 1.435 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CCC(C)(C)[NH3+])cc2)CC1 ZINC000649350526 452032756 /nfs/dbraw/zinc/03/27/56/452032756.db2.gz LQMCGBRIOYCVMC-UHFFFAOYSA-N 2 0 346.519 1.958 20 0 EDADRP CC[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[C@@H]1[NH3+] ZINC000649359395 452040884 /nfs/dbraw/zinc/04/08/84/452040884.db2.gz WUTURQZOTNVGSA-HKUYNNGSSA-N 2 0 344.503 1.633 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](c3cc(=O)[nH]c(=O)[nH]3)C2)CC1 ZINC000639712860 452054335 /nfs/dbraw/zinc/05/43/35/452054335.db2.gz CYTPTTFMMJCQMO-HNNXBMFYSA-N 2 0 349.479 1.093 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000649412065 452076137 /nfs/dbraw/zinc/07/61/37/452076137.db2.gz HCNYNRSHQPAJEF-UFYCRDLUSA-N 2 0 347.503 1.104 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000637804098 452090398 /nfs/dbraw/zinc/09/03/98/452090398.db2.gz LWAMTUCXXAJUDX-SJORKVTESA-N 2 0 343.427 1.390 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760001 452097965 /nfs/dbraw/zinc/09/79/65/452097965.db2.gz PNHDYHYKPAFMFV-SFHVURJKSA-N 2 0 348.487 1.990 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[C@@H]1[NH3+] ZINC000637846785 452112897 /nfs/dbraw/zinc/11/28/97/452112897.db2.gz DIEOFFVXNJGUEY-OCCSQVGLSA-N 2 0 345.447 1.113 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637850727 452114753 /nfs/dbraw/zinc/11/47/53/452114753.db2.gz BYRBDPRQLCNZTL-GOSISDBHSA-N 2 0 347.463 1.407 20 0 EDADRP C[N@H+](CCN1CCN(C[C@H]2CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000649524629 452124707 /nfs/dbraw/zinc/12/47/07/452124707.db2.gz PYZNFBFSEXUKKS-HXUWFJFHSA-N 2 0 330.520 1.830 20 0 EDADRP Nc1nc(NC2CC[NH+](Cc3ccccn3)CC2)c2c([nH+]1)CCCC2 ZINC000645128294 452166890 /nfs/dbraw/zinc/16/68/90/452166890.db2.gz RYBXIGPGUXRCKQ-UHFFFAOYSA-N 2 0 338.459 1.831 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000641757941 452239586 /nfs/dbraw/zinc/23/95/86/452239586.db2.gz MOJHMFDMZTXZFF-CVEARBPZSA-N 2 0 340.512 1.374 20 0 EDADRP COc1nsc(C[NH2+]CCc2cncn2C)c1Br ZINC000641774853 452247185 /nfs/dbraw/zinc/24/71/85/452247185.db2.gz JMZLOGKYBKWGCC-UHFFFAOYSA-N 2 0 331.239 1.980 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654104757 452247800 /nfs/dbraw/zinc/24/78/00/452247800.db2.gz VLAKOVXJRRPGIY-LSDHHAIUSA-N 2 0 334.468 1.583 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCCC1 ZINC000663558685 452272342 /nfs/dbraw/zinc/27/23/42/452272342.db2.gz ACSQEYYRRMLPMC-ULQDDVLXSA-N 2 0 340.512 1.203 20 0 EDADRP Cn1ncc(C2CC2)c1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000657489952 452276782 /nfs/dbraw/zinc/27/67/82/452276782.db2.gz CMRMTHVVYYFAMW-UHFFFAOYSA-N 2 0 347.507 1.184 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000659439091 452286851 /nfs/dbraw/zinc/28/68/51/452286851.db2.gz CZNJZKJQDUAARZ-RBSFLKMASA-N 2 0 326.391 1.509 20 0 EDADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)[C@@H]2CCO)[C@@H]1CCO ZINC000661490347 452292447 /nfs/dbraw/zinc/29/24/47/452292447.db2.gz FAYCCTPKYYQAQF-BSHDOZJQSA-N 2 0 342.524 1.313 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000655495849 452295532 /nfs/dbraw/zinc/29/55/32/452295532.db2.gz XYFPDKVELWWKIQ-MRXNPFEDSA-N 2 0 333.480 1.754 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659454662 452305842 /nfs/dbraw/zinc/30/58/42/452305842.db2.gz LLNUTGZXCOCFNO-HFCFLWKCSA-N 2 0 328.460 1.784 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[C@H]1F ZINC000659454541 452305887 /nfs/dbraw/zinc/30/58/87/452305887.db2.gz INFANPVIEOAPQW-BRWVUGGUSA-N 2 0 334.439 1.732 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458131 452310926 /nfs/dbraw/zinc/31/09/26/452310926.db2.gz PKXVKTXZTFGFSV-MSOLQXFVSA-N 2 0 334.508 1.892 20 0 EDADRP CN1CCC(CNC(=O)N2CC3CC2(C[NH3+])C3)([NH+]2CCCCC2)CC1 ZINC000659461808 452314356 /nfs/dbraw/zinc/31/43/56/452314356.db2.gz OUMDMQRXDMCSLY-UHFFFAOYSA-N 2 0 349.523 1.069 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)[NH+](C)C)cc1 ZINC000638048940 452318557 /nfs/dbraw/zinc/31/85/57/452318557.db2.gz ARXVZWBQZDAJIS-HKUYNNGSSA-N 2 0 333.476 1.723 20 0 EDADRP CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@H+](C)C1 ZINC000645343910 452321687 /nfs/dbraw/zinc/32/16/87/452321687.db2.gz SCJSPQIELZOBJR-ZBFHGGJFSA-N 2 0 328.526 1.549 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000638051250 452323696 /nfs/dbraw/zinc/32/36/96/452323696.db2.gz ZJRLTPKWVPFBSP-HKUYNNGSSA-N 2 0 341.455 1.984 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000659468494 452326564 /nfs/dbraw/zinc/32/65/64/452326564.db2.gz BFTXNCTYYCYLKH-WAZRQNRBSA-N 2 0 328.460 1.701 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652141241 452335466 /nfs/dbraw/zinc/33/54/66/452335466.db2.gz JVJMJOALTGWFJB-QXSJWSMHSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000659478684 452338862 /nfs/dbraw/zinc/33/88/62/452338862.db2.gz DBNCOSGHYJOUCL-WMHQRMGPSA-N 2 0 326.460 1.720 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C[C@H]1C[NH3+] ZINC000652147317 452339552 /nfs/dbraw/zinc/33/95/52/452339552.db2.gz QKTQBCDFBJXEKA-BZUAXINKSA-N 2 0 326.485 1.112 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638063542 452361904 /nfs/dbraw/zinc/36/19/04/452361904.db2.gz VLFASDSTODBZRJ-FQEVSTJZSA-N 2 0 345.487 1.785 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)Cc1ccccc1 ZINC000638064588 452363698 /nfs/dbraw/zinc/36/36/98/452363698.db2.gz NONGBYINYWNULD-MJGOQNOKSA-N 2 0 333.476 1.434 20 0 EDADRP COc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)n1 ZINC000657597296 452365268 /nfs/dbraw/zinc/36/52/68/452365268.db2.gz SNHDETAAOFUZOO-GOSISDBHSA-N 2 0 327.428 1.947 20 0 EDADRP NC(=O)c1csc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657596611 452365715 /nfs/dbraw/zinc/36/57/15/452365715.db2.gz XSUIHUZAECLYOT-INIZCTEOSA-N 2 0 345.468 1.703 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000652170560 452366140 /nfs/dbraw/zinc/36/61/40/452366140.db2.gz JAFFBWXJFZFOQR-CVEARBPZSA-N 2 0 338.496 1.183 20 0 EDADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657597309 452366104 /nfs/dbraw/zinc/36/61/04/452366104.db2.gz SZNKOXQCTQTBTG-SFHVURJKSA-N 2 0 326.444 1.686 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638070597 452376692 /nfs/dbraw/zinc/37/66/92/452376692.db2.gz SDKDQLAWNOEXSC-GOSISDBHSA-N 2 0 332.492 1.294 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659517088 452379618 /nfs/dbraw/zinc/37/96/18/452379618.db2.gz NAVNWIXKIWQBPA-KRWDZBQOSA-N 2 0 333.480 1.576 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000638073176 452384130 /nfs/dbraw/zinc/38/41/30/452384130.db2.gz CGMUKCWIQAGZIW-MOPGFXCFSA-N 2 0 344.503 1.533 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659522738 452386330 /nfs/dbraw/zinc/38/63/30/452386330.db2.gz MEJIAJFJHNZUJH-MWQQHZPXSA-N 2 0 334.439 1.698 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000659537562 452395930 /nfs/dbraw/zinc/39/59/30/452395930.db2.gz LUQATLKEWDWOBB-KZNAEPCWSA-N 2 0 346.475 1.322 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638081297 452398714 /nfs/dbraw/zinc/39/87/14/452398714.db2.gz WZWSYJBRODXYQY-AZUAARDMSA-N 2 0 345.487 1.913 20 0 EDADRP [NH3+]C1(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000645452114 452419643 /nfs/dbraw/zinc/41/96/43/452419643.db2.gz GSTYDJFKSMTBKD-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652240675 452426942 /nfs/dbraw/zinc/42/69/42/452426942.db2.gz KRIQODCEIFATBZ-MRXNPFEDSA-N 3 0 339.528 1.173 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575834 452430673 /nfs/dbraw/zinc/43/06/73/452430673.db2.gz CFBHTUXZHPZVRJ-KBAYOESNSA-N 2 0 330.476 1.773 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000659606344 452462462 /nfs/dbraw/zinc/46/24/62/452462462.db2.gz SNQWVPDYVVUVSS-BZUAXINKSA-N 2 0 326.485 1.112 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000652291702 452476719 /nfs/dbraw/zinc/47/67/19/452476719.db2.gz FASOVLAZGXSEFC-UHFFFAOYSA-N 2 0 334.464 1.445 20 0 EDADRP CC[NH+]1CCN(c2cnc(N3CC[N@@H+](CC)[C@@H](C)C3)cn2)C[C@H]1C ZINC000663744827 452477519 /nfs/dbraw/zinc/47/75/19/452477519.db2.gz QFAZPZCGAQFJIG-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@]2(O)CCCOC2)[C@H](C)C1 ZINC000652324552 452499183 /nfs/dbraw/zinc/49/91/83/452499183.db2.gz DWIKJHKMOACFPT-SQNIBIBYSA-N 2 0 328.497 1.645 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)NCCC3CC[NH2+]CC3)C2)C1 ZINC000652325733 452499460 /nfs/dbraw/zinc/49/94/60/452499460.db2.gz XZFSWEPOJDYNIW-BBWFWOEESA-N 2 0 338.496 1.304 20 0 EDADRP CC(C)(C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@]1(O)CCCOC1 ZINC000657767185 452512589 /nfs/dbraw/zinc/51/25/89/452512589.db2.gz WHULLZLSFYLYRV-GOSISDBHSA-N 2 0 330.432 1.925 20 0 EDADRP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788900 452523062 /nfs/dbraw/zinc/52/30/62/452523062.db2.gz UYDBTTZCKBUUDC-RRFJBIMHSA-N 2 0 338.473 1.447 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCC(=O)Nc3cccnc3)C2)C1 ZINC000652349247 452524820 /nfs/dbraw/zinc/52/48/20/452524820.db2.gz HVCDOAZCIHRLTI-INMHGKMJSA-N 2 0 332.448 1.629 20 0 EDADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000655709077 452526703 /nfs/dbraw/zinc/52/67/03/452526703.db2.gz YMJHAYBLTQPPFZ-CQSZACIVSA-N 2 0 341.459 1.927 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000640218720 452527684 /nfs/dbraw/zinc/52/76/84/452527684.db2.gz SZDOHERBJQWTIX-MORSLUCNSA-N 2 0 342.443 1.597 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)on2)cn1 ZINC000652364039 452545114 /nfs/dbraw/zinc/54/51/14/452545114.db2.gz VWMSCAWNPMFBKR-QGTPRVQTSA-N 2 0 345.447 1.936 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000659681494 452554969 /nfs/dbraw/zinc/55/49/69/452554969.db2.gz XHZJTRVFXIPRNC-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1CC[NH3+] ZINC000652378165 452567113 /nfs/dbraw/zinc/56/71/13/452567113.db2.gz ZXLNXOAJQOBQGS-WMLDXEAASA-N 2 0 339.505 1.886 20 0 EDADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000647833927 452568517 /nfs/dbraw/zinc/56/85/17/452568517.db2.gz UNEWGEMQWJCSIA-HKUYNNGSSA-N 2 0 344.503 1.750 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)C1 ZINC000655805035 452588084 /nfs/dbraw/zinc/58/80/84/452588084.db2.gz IXIDVZUSUKRHEY-OSAQELSMSA-N 2 0 326.437 1.974 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000654546196 452627302 /nfs/dbraw/zinc/62/73/02/452627302.db2.gz NIFVSINUYZWDAM-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(F)cc1 ZINC000655912411 452670409 /nfs/dbraw/zinc/67/04/09/452670409.db2.gz VBZDPHRMJLSOOB-VXGBXAGGSA-N 2 0 336.333 1.617 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655922903 452687048 /nfs/dbraw/zinc/68/70/48/452687048.db2.gz UQPLOGMGJYYAFA-ZDUSSCGKSA-N 2 0 338.418 1.933 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000661954223 452713900 /nfs/dbraw/zinc/71/39/00/452713900.db2.gz WANGODIVNANKDT-QGZVFWFLSA-N 2 0 338.496 1.225 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)CO2 ZINC000658107174 452728618 /nfs/dbraw/zinc/72/86/18/452728618.db2.gz KTQBPKNLTPMLGC-RDJZCZTQSA-N 2 0 335.492 1.860 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655958104 452737481 /nfs/dbraw/zinc/73/74/81/452737481.db2.gz IDUVIXHQCSUMTA-SJORKVTESA-N 2 0 344.459 1.478 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655962557 452743436 /nfs/dbraw/zinc/74/34/36/452743436.db2.gz ONTYOMRPICAQCM-QZTJIDSGSA-N 2 0 345.491 1.877 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000655966648 452747545 /nfs/dbraw/zinc/74/75/45/452747545.db2.gz DAVLMVMZGAXYMM-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664212069 452883983 /nfs/dbraw/zinc/88/39/83/452883983.db2.gz GOVKNEFBLIYRSF-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@@H]2C1 ZINC000648175713 452887467 /nfs/dbraw/zinc/88/74/67/452887467.db2.gz OMMHVJGBQIOKES-MSOLQXFVSA-N 2 0 343.471 1.239 20 0 EDADRP Cc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)c2ccccc2n1 ZINC000666490820 452907623 /nfs/dbraw/zinc/90/76/23/452907623.db2.gz ZZZIHSGWDZZJSK-UHFFFAOYSA-N 2 0 343.475 1.970 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C[NH+](C)C)cc1 ZINC000660008560 452916003 /nfs/dbraw/zinc/91/60/03/452916003.db2.gz CMDBMTKUZFPTNU-MRXNPFEDSA-N 2 0 339.505 1.853 20 0 EDADRP CN(CCC[NH+](C)C)CCNc1ccc(C(=O)NC2CCCC2)nn1 ZINC000664247790 452927933 /nfs/dbraw/zinc/92/79/33/452927933.db2.gz HXEWYCJIULYACG-UHFFFAOYSA-N 2 0 348.495 1.444 20 0 EDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000650742621 452965621 /nfs/dbraw/zinc/96/56/21/452965621.db2.gz AGBKEUJBSFVAJZ-ZDUSSCGKSA-N 2 0 325.478 1.717 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662255812 452986291 /nfs/dbraw/zinc/98/62/91/452986291.db2.gz DQXQOPQMXSXUGI-ROUUACIJSA-N 2 0 343.471 1.792 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002966 452998638 /nfs/dbraw/zinc/99/86/38/452998638.db2.gz LRRQKGCHXKEMRG-MSOLQXFVSA-N 2 0 336.524 1.523 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002968 452998956 /nfs/dbraw/zinc/99/89/56/452998956.db2.gz LRRQKGCHXKEMRG-ROUUACIJSA-N 2 0 336.524 1.523 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664218 453051552 /nfs/dbraw/zinc/05/15/52/453051552.db2.gz BIOJJMGHKYROEJ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662352582 453068498 /nfs/dbraw/zinc/06/84/98/453068498.db2.gz XZHXULUSNPAWKP-AWEZNQCLSA-N 2 0 337.489 1.480 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387287 453096615 /nfs/dbraw/zinc/09/66/15/453096615.db2.gz ROXFHPJIIWRSCR-ZNMIVQPWSA-N 2 0 333.480 1.584 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662387151 453097121 /nfs/dbraw/zinc/09/71/21/453097121.db2.gz BWSQRMWQRJDRQL-CABCVRRESA-N 2 0 333.480 1.871 20 0 EDADRP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000662395345 453105576 /nfs/dbraw/zinc/10/55/76/453105576.db2.gz SABCXPYZRLVKFH-CQSZACIVSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402926 453114766 /nfs/dbraw/zinc/11/47/66/453114766.db2.gz GPZZATQOSUXIKI-ZIAGYGMSSA-N 2 0 334.464 1.992 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662402989 453115217 /nfs/dbraw/zinc/11/52/17/453115217.db2.gz QQGYFEMAVXARJP-RBSFLKMASA-N 2 0 347.507 1.973 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)c1cc2c(s1)CC[NH2+]C2 ZINC000662408059 453120373 /nfs/dbraw/zinc/12/03/73/453120373.db2.gz ONSRQMDBZXONSD-UHFFFAOYSA-N 2 0 343.456 1.451 20 0 EDADRP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644198641 453128247 /nfs/dbraw/zinc/12/82/47/453128247.db2.gz GMIAIQSLSROUMQ-FUHWJXTLSA-N 2 0 328.460 1.654 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000662433581 453142776 /nfs/dbraw/zinc/14/27/76/453142776.db2.gz KSSFBKQSNYEPBW-CZUORRHYSA-N 2 0 336.455 1.753 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000662457392 453164886 /nfs/dbraw/zinc/16/48/86/453164886.db2.gz HZWPVOLGITWUJM-VQIMIIECSA-N 2 0 342.487 1.506 20 0 EDADRP CN(CCC[NH3+])Cc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468347 453204055 /nfs/dbraw/zinc/20/40/55/453204055.db2.gz LMFUKUGVJUTDQG-SFHVURJKSA-N 2 0 342.491 1.581 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662494092 453211796 /nfs/dbraw/zinc/21/17/96/453211796.db2.gz WBYXICQDHNBCKU-APWZRJJASA-N 2 0 344.503 1.611 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000666921465 453243302 /nfs/dbraw/zinc/24/33/02/453243302.db2.gz WBDHWBZJGPEVBW-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662576830 453303900 /nfs/dbraw/zinc/30/39/00/453303900.db2.gz BSRXMKXCDPIPBG-INIZCTEOSA-N 2 0 346.479 1.053 20 0 EDADRP CCn1cnc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000662577475 453305539 /nfs/dbraw/zinc/30/55/39/453305539.db2.gz WGUVDBFJGSNMNP-UHFFFAOYSA-N 2 0 341.459 1.626 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1C ZINC000648833517 453315274 /nfs/dbraw/zinc/31/52/74/453315274.db2.gz OSFNIDHLIYAVEL-QXCFHYIPSA-N 2 0 345.487 1.326 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCC([C@@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000656608536 453317210 /nfs/dbraw/zinc/31/72/10/453317210.db2.gz KUYZYPYNHKMQBA-CQSZACIVSA-N 2 0 327.436 1.461 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662591538 453319218 /nfs/dbraw/zinc/31/92/18/453319218.db2.gz SVXAWJHVBVTFBS-LSDHHAIUSA-N 2 0 331.464 1.338 20 0 EDADRP NC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000648852381 453331163 /nfs/dbraw/zinc/33/11/63/453331163.db2.gz VLOFELFGWODALD-SJORKVTESA-N 2 0 331.460 1.905 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000646367714 453350392 /nfs/dbraw/zinc/35/03/92/453350392.db2.gz CPTQJYOEMPZGPV-MRXNPFEDSA-N 2 0 330.476 1.874 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@H]3CCOc4ccccc43)C2)nn1 ZINC000667040499 453357402 /nfs/dbraw/zinc/35/74/02/453357402.db2.gz UVWWVPKMIOHOJL-ZBFHGGJFSA-N 2 0 327.432 1.940 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000667050214 453366198 /nfs/dbraw/zinc/36/61/98/453366198.db2.gz RGILYKDVLVDXMP-AWEZNQCLSA-N 2 0 346.475 1.581 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000662659579 453372798 /nfs/dbraw/zinc/37/27/98/453372798.db2.gz SQLUQMAKQFZFKM-ROUUACIJSA-N 2 0 347.528 1.857 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662667962 453382772 /nfs/dbraw/zinc/38/27/72/453382772.db2.gz FHQYJKKBOHPGJC-AWEZNQCLSA-N 2 0 346.479 1.339 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000662683975 453404437 /nfs/dbraw/zinc/40/44/37/453404437.db2.gz UWYUVIDUOYUHHF-SHTZXODSSA-N 2 0 330.432 1.060 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662685935 453406161 /nfs/dbraw/zinc/40/61/61/453406161.db2.gz IUHPRKRGXJHHOZ-RCCFBDPRSA-N 2 0 329.444 1.922 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCC3(C[NH3+])CC3)CC2)c1 ZINC000653220507 453409032 /nfs/dbraw/zinc/40/90/32/453409032.db2.gz KAEASNABGXNQOT-UHFFFAOYSA-N 2 0 344.503 1.752 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C[NH+]1CCCC1 ZINC000662689595 453410696 /nfs/dbraw/zinc/41/06/96/453410696.db2.gz WRAWNGQHBBRPNX-LSDHHAIUSA-N 2 0 334.468 1.054 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000662699847 453420643 /nfs/dbraw/zinc/42/06/43/453420643.db2.gz DOBUJJYXNXRZOP-JKSUJKDBSA-N 2 0 335.473 1.538 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000662708178 453429952 /nfs/dbraw/zinc/42/99/52/453429952.db2.gz QHZHEUXKEQQJQX-ZWKOTPCHSA-N 2 0 347.459 1.193 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(N3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000660589014 453430736 /nfs/dbraw/zinc/43/07/36/453430736.db2.gz DBRFGENLAXCRQO-YESZJQIVSA-N 2 0 325.497 1.281 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000662715428 453439393 /nfs/dbraw/zinc/43/93/93/453439393.db2.gz ITIXVGIRUHICIR-GOSISDBHSA-N 2 0 345.487 1.648 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000653261232 453442567 /nfs/dbraw/zinc/44/25/67/453442567.db2.gz PGNPJWOYNOHFQD-FPCVCCKLSA-N 2 0 325.497 1.898 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000662730713 453456787 /nfs/dbraw/zinc/45/67/87/453456787.db2.gz NEYIXZXYZJVZTD-ROUUACIJSA-N 2 0 347.459 1.141 20 0 EDADRP O=C(N1CC[NH+](CC2CCOCC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662732148 453459224 /nfs/dbraw/zinc/45/92/24/453459224.db2.gz KXXLABHXRNGVHC-HNNXBMFYSA-N 2 0 349.397 1.099 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000646602719 453504998 /nfs/dbraw/zinc/50/49/98/453504998.db2.gz CENLCXBTXZVXBO-WMZOPIPTSA-N 2 0 349.475 1.604 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)CC2C[NH+](C)C2)[C@@H](C)C1 ZINC000660677380 453506915 /nfs/dbraw/zinc/50/69/15/453506915.db2.gz YYCOHJFDYOVSSX-RDJZCZTQSA-N 2 0 340.512 1.326 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660702130 453526273 /nfs/dbraw/zinc/52/62/73/453526273.db2.gz GFQJJDQXKWPDKS-IAGOWNOFSA-N 2 0 336.480 1.023 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445287 453532322 /nfs/dbraw/zinc/53/23/22/453532322.db2.gz PHUXHYUIYCIQCS-DOTOQJQBSA-N 2 0 337.533 1.854 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)n(C2CC[NH+](C)CC2)n1 ZINC000655449427 453537140 /nfs/dbraw/zinc/53/71/40/453537140.db2.gz WWFCSVBQEPTPOC-YJBOKZPZSA-N 2 0 331.464 1.786 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)on1 ZINC000662805319 453540432 /nfs/dbraw/zinc/54/04/32/453540432.db2.gz KOSPHVWKDZCQSO-GXTWGEPZSA-N 2 0 332.448 1.957 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)cc1 ZINC000662832254 453558356 /nfs/dbraw/zinc/55/83/56/453558356.db2.gz GWKCMOMJMDCAHA-QZTJIDSGSA-N 2 0 331.460 1.708 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000667328965 453561914 /nfs/dbraw/zinc/56/19/14/453561914.db2.gz XWFAYGXEOOMTEQ-GOSISDBHSA-N 2 0 328.460 1.822 20 0 EDADRP Cc1cc(NC(=O)NCC2([NH3+])CCCC2)n(C2CC[NH+](C)CC2)n1 ZINC000659000529 453574158 /nfs/dbraw/zinc/57/41/58/453574158.db2.gz SZKMNHRMIUZSNP-UHFFFAOYSA-N 2 0 334.468 1.851 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000662868598 453580163 /nfs/dbraw/zinc/58/01/63/453580163.db2.gz MDMCVMPPCWGSEJ-ULQDDVLXSA-N 2 0 335.448 1.011 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662873288 453583148 /nfs/dbraw/zinc/58/31/48/453583148.db2.gz WCABDCBNTUNRRK-FGTMMUONSA-N 2 0 331.460 1.126 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000660826184 453589699 /nfs/dbraw/zinc/58/96/99/453589699.db2.gz NRSYSIKRIWAEPE-BBRMVZONSA-N 2 0 328.526 1.596 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000660827832 453590977 /nfs/dbraw/zinc/59/09/77/453590977.db2.gz QWVXNYWODVQGPO-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP C([NH2+][C@H](C1CC1)[C@@H]1CNCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233560 453617269 /nfs/dbraw/zinc/61/72/69/453617269.db2.gz KSBFECPDYJMNOB-RBUKOAKNSA-N 2 0 337.508 1.234 20 0 EDADRP C[C@H](C[C@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000665253207 453625736 /nfs/dbraw/zinc/62/57/36/453625736.db2.gz KFHYNADRTHBTTF-MJXUCMMTSA-N 2 0 339.430 1.767 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000662974018 453631635 /nfs/dbraw/zinc/63/16/35/453631635.db2.gz YRCQJIUXOAABKY-IAGOWNOFSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291286 453637768 /nfs/dbraw/zinc/63/77/68/453637768.db2.gz ZDFQMQDIUDPIKG-NSHDSACASA-N 2 0 330.388 1.481 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000663002696 453643330 /nfs/dbraw/zinc/64/33/30/453643330.db2.gz HMFYMPUOTGRDDH-MGNMYUMUSA-N 2 0 333.476 1.039 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000663003139 453643415 /nfs/dbraw/zinc/64/34/15/453643415.db2.gz JYINMWQBERZIEW-QGZVFWFLSA-N 2 0 345.491 1.200 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000665356021 453664154 /nfs/dbraw/zinc/66/41/54/453664154.db2.gz DUPSYLVJRLXLFZ-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000661010045 453679642 /nfs/dbraw/zinc/67/96/42/453679642.db2.gz OUICJDKDNAIWRG-PBHICJAKSA-N 2 0 336.480 1.189 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000659352854 453725524 /nfs/dbraw/zinc/72/55/24/453725524.db2.gz PUDIBWKKIVATKY-BZSNNMDCSA-N 2 0 349.475 1.399 20 0 EDADRP CC(C)([NH3+])CCC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374559 453732320 /nfs/dbraw/zinc/73/23/20/453732320.db2.gz NVFDOZGLSOMPNF-UHFFFAOYSA-N 2 0 344.503 1.975 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555965 453747624 /nfs/dbraw/zinc/74/76/24/453747624.db2.gz OHZKLKCFVYIYCQ-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657296974 453759369 /nfs/dbraw/zinc/75/93/69/453759369.db2.gz YSXOTVMFMQBFPH-IBGZPJMESA-N 2 0 333.476 1.581 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657311293 453763727 /nfs/dbraw/zinc/76/37/27/453763727.db2.gz WHINVQADQCXCDA-LBPRGKRZSA-N 2 0 333.402 1.555 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498435 453810265 /nfs/dbraw/zinc/81/02/65/453810265.db2.gz SRCRIYWVDFJTBD-SNPRPXQTSA-N 2 0 336.505 1.650 20 0 EDADRP C[NH2+]CCN(C)C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415071974 486736906 /nfs/dbraw/zinc/73/69/06/486736906.db2.gz UYAJJZUCTQXRRU-UHFFFAOYSA-N 2 0 336.505 1.961 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415544665 486750602 /nfs/dbraw/zinc/75/06/02/486750602.db2.gz HBGOZOJIEOXOAN-CQSZACIVSA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417292465 486796779 /nfs/dbraw/zinc/79/67/79/486796779.db2.gz XKUCGLFINTUGGC-CABCVRRESA-N 2 0 326.485 1.114 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000667513386 486816721 /nfs/dbraw/zinc/81/67/21/486816721.db2.gz SZZMMQVPFVKOQN-UHFFFAOYSA-N 2 0 346.475 1.807 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417815229 486814257 /nfs/dbraw/zinc/81/42/57/486814257.db2.gz SRIMKNYLRKFYTG-ZBFHGGJFSA-N 2 0 326.485 1.445 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000683870094 486847100 /nfs/dbraw/zinc/84/71/00/486847100.db2.gz CVNVAQSUNMADID-SOLBZPMBSA-N 2 0 334.508 1.288 20 0 EDADRP CC[NH+]1CCN(c2nccnc2N2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000680959631 486907909 /nfs/dbraw/zinc/90/79/09/486907909.db2.gz INQUNWJNHZGZPA-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667797470 486969011 /nfs/dbraw/zinc/96/90/11/486969011.db2.gz OEPUFZGXNKLKHJ-UHFFFAOYSA-N 2 0 331.464 1.971 20 0 EDADRP c1cc2n(n1)C[C@@H](C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)CN2 ZINC000684197290 486981023 /nfs/dbraw/zinc/98/10/23/486981023.db2.gz CMGNQDJJDNGGHY-GOSISDBHSA-N 2 0 347.507 1.749 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000681257421 486993006 /nfs/dbraw/zinc/99/30/06/486993006.db2.gz LECBGGIATJZVOF-HIFRSBDPSA-N 2 0 338.496 1.094 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677236233 487017700 /nfs/dbraw/zinc/01/77/00/487017700.db2.gz AMVDLVUZVPWPLW-IRXDYDNUSA-N 2 0 337.489 1.452 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)NC(=O)NC1=O ZINC000677237862 487017925 /nfs/dbraw/zinc/01/79/25/487017925.db2.gz ODGHTYYHUDBPCO-TXPKVOOTSA-N 2 0 342.443 1.458 20 0 EDADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673515908 487038076 /nfs/dbraw/zinc/03/80/76/487038076.db2.gz OMZLHMGPJKTXBY-MOPGFXCFSA-N 2 0 343.471 1.564 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)CC1 ZINC000677737677 487162064 /nfs/dbraw/zinc/16/20/64/487162064.db2.gz AMWUFNQERFRPDA-UHFFFAOYSA-N 2 0 332.492 1.376 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccccc2-n2cncn2)CC1(C)C ZINC000685043689 487219811 /nfs/dbraw/zinc/21/98/11/487219811.db2.gz ZFCPZMCVFFTBRY-UHFFFAOYSA-N 2 0 328.464 1.383 20 0 EDADRP Cc1ncc2n1CC[C@@H](C(=O)N1CCC[N@H+](C[C@@H]3CCCO3)CC1)C2 ZINC000685602757 487301207 /nfs/dbraw/zinc/30/12/07/487301207.db2.gz RXRCYXPUDPKJOK-AEFFLSMTSA-N 2 0 346.475 1.467 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000675194918 487387636 /nfs/dbraw/zinc/38/76/36/487387636.db2.gz WWLFYDKTCVXUHV-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000683159120 487455540 /nfs/dbraw/zinc/45/55/40/487455540.db2.gz VHWKFWHJKCQZJQ-AWEZNQCLSA-N 2 0 345.553 1.899 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000502756350 487462411 /nfs/dbraw/zinc/46/24/11/487462411.db2.gz OQYDGBOGOGNKJZ-IKGGRYGDSA-N 2 0 340.512 1.611 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669519812 485485070 /nfs/dbraw/zinc/48/50/70/485485070.db2.gz STMUXOIQMHHPLF-QRQLOZEOSA-N 2 0 327.472 1.939 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000669567379 485579809 /nfs/dbraw/zinc/57/98/09/485579809.db2.gz NGFVDJBEPIIVEP-YOEHRIQHSA-N 2 0 334.464 1.048 20 0 EDADRP CSc1ccc(O)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000668303064 485581349 /nfs/dbraw/zinc/58/13/49/485581349.db2.gz XTKNNIOGBSCYBW-UHFFFAOYSA-N 2 0 325.478 1.680 20 0 EDADRP CN1CCN(C(=O)CNCc2c(F)cccc2OC(F)(F)F)CC1 ZINC000671190002 485885850 /nfs/dbraw/zinc/88/58/50/485885850.db2.gz SIGZTHIMLPSRAQ-UHFFFAOYSA-N 2 0 349.328 1.588 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)CC(=O)N(C)C ZINC000668558452 485891010 /nfs/dbraw/zinc/89/10/10/485891010.db2.gz JIZKZXFKJKDXAH-UHFFFAOYSA-N 2 0 344.463 1.028 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000668605767 485939437 /nfs/dbraw/zinc/93/94/37/485939437.db2.gz PJMJWMIWFQJZEV-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000668644663 485990450 /nfs/dbraw/zinc/99/04/50/485990450.db2.gz BOMUNXXZEGTYBL-WBVHZDCISA-N 2 0 346.475 1.822 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000669398632 486059381 /nfs/dbraw/zinc/05/93/81/486059381.db2.gz LNLFEJZFBHJTBN-GOEBONIOSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669420170 486139189 /nfs/dbraw/zinc/13/91/89/486139189.db2.gz COEOTGWHLIUWIM-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000669486828 486253043 /nfs/dbraw/zinc/25/30/43/486253043.db2.gz BDZXSDCDXANBLM-YJBOKZPZSA-N 2 0 346.475 1.500 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000668475766 491176013 /nfs/dbraw/zinc/17/60/13/491176013.db2.gz WILOLXMNTIKOJQ-HRCADAONSA-N 2 0 333.542 1.204 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000669007184 491184099 /nfs/dbraw/zinc/18/40/99/491184099.db2.gz AZLXKPXRIUIRHM-QXSJWSMHSA-N 2 0 326.485 1.255 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2)CC1 ZINC000154889852 529153003 /nfs/dbraw/zinc/15/30/03/529153003.db2.gz VMYXRSSOOPZDLE-IBGZPJMESA-N 2 0 330.476 1.686 20 0 EDADRP CCC(CC)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000262415149 534978610 /nfs/dbraw/zinc/97/86/10/534978610.db2.gz PUYJEVNFWHRPRU-PVAVHDDUSA-N 2 0 333.476 1.735 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCS[C@@H](C)CC2)C1 ZINC000249131114 535108900 /nfs/dbraw/zinc/10/89/00/535108900.db2.gz YAEZCXWOIPXDSJ-HOTGVXAUSA-N 2 0 343.537 1.287 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)[C@H](C)C2)C1 ZINC000246061037 535119030 /nfs/dbraw/zinc/11/90/30/535119030.db2.gz YJIOQAQYPOGSIO-GVDBMIGSSA-N 2 0 325.497 1.437 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000249861607 535322978 /nfs/dbraw/zinc/32/29/78/535322978.db2.gz ALEPCXCUQFTWGK-IRXDYDNUSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236855592 535519889 /nfs/dbraw/zinc/51/98/89/535519889.db2.gz YLTNGMHDVCBHIW-CQSZACIVSA-N 2 0 336.484 1.443 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000351520915 535605314 /nfs/dbraw/zinc/60/53/14/535605314.db2.gz IICFPVKYPNQQDS-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027079 535685263 /nfs/dbraw/zinc/68/52/63/535685263.db2.gz JTYVEXYZCOLMKT-ICSRJNTNSA-N 2 0 344.503 1.576 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347930424 535730078 /nfs/dbraw/zinc/73/00/78/535730078.db2.gz XSQFFELWHFSKRL-AWEZNQCLSA-N 2 0 337.464 1.525 20 0 EDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340210533 535832034 /nfs/dbraw/zinc/83/20/34/535832034.db2.gz SOVLCIWAKXLTRV-INIZCTEOSA-N 2 0 325.478 1.643 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000237085634 535847237 /nfs/dbraw/zinc/84/72/37/535847237.db2.gz AURWMYZQJYOYMX-WMLDXEAASA-N 2 0 333.480 1.213 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000077712026 536006372 /nfs/dbraw/zinc/00/63/72/536006372.db2.gz IYJIWTLKOMBEPK-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CC3CC[NH2+]CC3)c2)CC1 ZINC000237219213 536416860 /nfs/dbraw/zinc/41/68/60/536416860.db2.gz WSGBFFYVHASFRN-UHFFFAOYSA-N 2 0 330.476 1.762 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC000237218731 536417008 /nfs/dbraw/zinc/41/70/08/536417008.db2.gz GHXGTRGQKVTNLF-RTBURBONSA-N 2 0 344.503 1.681 20 0 EDADRP Cc1cc(N2CCN(CC[N@@H+](C)Cc3ccccc3)CC2)nc(N)[nH+]1 ZINC000729184080 578560668 /nfs/dbraw/zinc/56/06/68/578560668.db2.gz AEBLLCGLLUIWEE-UHFFFAOYSA-N 2 0 340.475 1.621 20 0 EDADRP NC(=O)c1ccccc1NC(=O)CN1CCC[C@H](n2ccnc2)C1 ZINC000729265907 578562866 /nfs/dbraw/zinc/56/28/66/578562866.db2.gz TWOCMRSKONJOGP-ZDUSSCGKSA-N 2 0 327.388 1.258 20 0 EDADRP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000760474303 580031538 /nfs/dbraw/zinc/03/15/38/580031538.db2.gz ILHRORNBYVTCHC-HUUCEWRRSA-N 2 0 326.554 1.913 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733754970 578783665 /nfs/dbraw/zinc/78/36/65/578783665.db2.gz ZGAOWLFXTDDUNZ-AWEZNQCLSA-N 2 0 328.526 1.046 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000734283129 578806513 /nfs/dbraw/zinc/80/65/13/578806513.db2.gz QGDSGTUDPCSNCZ-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)[N@H+](C)Cc1ccccc1 ZINC000735855716 578929409 /nfs/dbraw/zinc/92/94/09/578929409.db2.gz NVLDCQMMOPIJSG-NJAFHUGGSA-N 2 0 331.460 1.486 20 0 EDADRP C[NH+]1CCC(CC[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736847569 579026192 /nfs/dbraw/zinc/02/61/92/579026192.db2.gz HQJNZJXSYOHVMH-UHFFFAOYSA-N 2 0 340.435 1.336 20 0 EDADRP CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000749325432 579721802 /nfs/dbraw/zinc/72/18/02/579721802.db2.gz TXUOCEXDWSCHII-CRAIPNDOSA-N 2 0 343.512 1.972 20 0 EDADRP Cc1ccc(OCC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000750533140 579769671 /nfs/dbraw/zinc/76/96/71/579769671.db2.gz SOVWALSLRMYACC-UHFFFAOYSA-N 2 0 333.476 1.764 20 0 EDADRP CCOCCNC(=S)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000751012646 579791300 /nfs/dbraw/zinc/79/13/00/579791300.db2.gz YAIVIDSVYWYBLR-OAHLLOKOSA-N 2 0 330.542 1.245 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NCc1ccon1 ZINC000764461613 580120774 /nfs/dbraw/zinc/12/07/74/580120774.db2.gz FYRYBTSOTBKGJE-OAHLLOKOSA-N 2 0 339.509 1.397 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775365639 580389346 /nfs/dbraw/zinc/38/93/46/580389346.db2.gz XGKYVPBXWDGFRM-KFWWJZLASA-N 2 0 329.579 1.982 20 0 EDADRP CC[NH+]1CCN(c2nc(C)nc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000775513760 580392693 /nfs/dbraw/zinc/39/26/93/580392693.db2.gz LYFORVNOBCEEPF-HUUCEWRRSA-N 2 0 347.511 1.241 20 0 EDADRP O=C1NC(=O)C2(CCC([NH2+]C3CCC([NH+]4CCCCC4)CC3)CC2)N1 ZINC000776230461 580412102 /nfs/dbraw/zinc/41/21/02/580412102.db2.gz IURGWWVEYYKTAQ-UHFFFAOYSA-N 2 0 348.491 1.894 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=S)NCC(C)(C)C[NH+](C)C ZINC000780209532 580516178 /nfs/dbraw/zinc/51/61/78/580516178.db2.gz ZGVWWYMYTVHQOQ-CQSZACIVSA-N 2 0 344.569 1.226 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1CCC2(CC1)OCCO2 ZINC000788210261 580714176 /nfs/dbraw/zinc/71/41/76/580714176.db2.gz WRPIIXNDBWHCKP-UHFFFAOYSA-N 2 0 341.496 1.262 20 0 EDADRP C[C@]1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@H+](Cc2ccccc2)C1 ZINC000891875536 590665108 /nfs/dbraw/zinc/66/51/08/590665108.db2.gz UWXLFHKENJCWFR-JENIJYKNSA-N 2 0 328.460 1.654 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000891881535 590668614 /nfs/dbraw/zinc/66/86/14/590668614.db2.gz GXECGOOCRZDMGL-ROUUACIJSA-N 2 0 328.460 1.390 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000891894079 590675974 /nfs/dbraw/zinc/67/59/74/590675974.db2.gz DUBIFRANAUJJHR-WKILWMFISA-N 2 0 346.475 1.696 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000891981593 590724075 /nfs/dbraw/zinc/72/40/75/590724075.db2.gz MKIBTPDDBRJOOT-DOTOQJQBSA-N 2 0 340.512 1.374 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000892025507 590756470 /nfs/dbraw/zinc/75/64/70/590756470.db2.gz YJCZQSWMGMHHAI-DQPZFDDXSA-N 2 0 332.448 1.621 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892055265 590774956 /nfs/dbraw/zinc/77/49/56/590774956.db2.gz XNKGHOSPXSGJOB-HHXXYDBFSA-N 2 0 330.476 1.887 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892055941 590776402 /nfs/dbraw/zinc/77/64/02/590776402.db2.gz NOMFBRFZCROKQN-WBVHZDCISA-N 2 0 340.512 1.552 20 0 EDADRP C[C@@]12CN(C(=O)NC/C=C/C[NH3+])C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892122849 590812255 /nfs/dbraw/zinc/81/22/55/590812255.db2.gz VASDVWJEPYLMDD-IIMPKJCBSA-N 2 0 328.460 1.665 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000892149521 590822636 /nfs/dbraw/zinc/82/26/36/590822636.db2.gz FSCKMXFBDBNUSH-JWZBEHFJSA-N 2 0 334.439 1.650 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892155602 590827142 /nfs/dbraw/zinc/82/71/42/590827142.db2.gz HNLXLDPYYVZBQK-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000890883204 590831097 /nfs/dbraw/zinc/83/10/97/590831097.db2.gz MTEOQGXFTFQCAR-FQEVSTJZSA-N 2 0 347.503 1.670 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccc(F)cc1 ZINC000892164946 590835872 /nfs/dbraw/zinc/83/58/72/590835872.db2.gz NSLKXGRKCPOZRX-XIRDDKMYSA-N 2 0 334.439 1.774 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@@H]21 ZINC000892190273 590855871 /nfs/dbraw/zinc/85/58/71/590855871.db2.gz XSPWRIXNDQIZHM-FLRQUGKWSA-N 2 0 346.519 1.876 20 0 EDADRP C[C@@H](CNC(=O)N(C)CCCCCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000892232398 590877700 /nfs/dbraw/zinc/87/77/00/590877700.db2.gz KRIKUBFDJUUFAN-HRCADAONSA-N 2 0 328.501 1.645 20 0 EDADRP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CC[NH2+]C1 ZINC000892255926 590889717 /nfs/dbraw/zinc/88/97/17/590889717.db2.gz ZFIZGXWPMNOFLE-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892257839 590890655 /nfs/dbraw/zinc/89/06/55/590890655.db2.gz SXFPPPYHLAYVCY-LSTDLKDCSA-N 2 0 346.450 1.855 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[NH2+]C23CCC3)c1 ZINC000892275332 590907017 /nfs/dbraw/zinc/90/70/17/590907017.db2.gz ULTHMYZUCOJFGN-DLBZAZTESA-N 2 0 344.459 1.636 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000892329034 590952071 /nfs/dbraw/zinc/95/20/71/590952071.db2.gz BBTNZQJXQQBJTO-YJBOKZPZSA-N 2 0 342.487 1.863 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+](C2CC2)C1 ZINC000892332198 590959384 /nfs/dbraw/zinc/95/93/84/590959384.db2.gz LWWSIYLYOSWWTB-HNNXBMFYSA-N 2 0 342.487 1.958 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H]2COC(C)(C)O2)c2ccccc2)CC1 ZINC000892397334 591009621 /nfs/dbraw/zinc/00/96/21/591009621.db2.gz LFCSSOHSDMIGBV-ZWKOTPCHSA-N 2 0 333.476 1.716 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000892481013 591041903 /nfs/dbraw/zinc/04/19/03/591041903.db2.gz KYQKZUXMJOZDPS-AWEZNQCLSA-N 2 0 326.485 1.304 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+]CC1CC[NH+](C)CC1 ZINC000892531204 591061917 /nfs/dbraw/zinc/06/19/17/591061917.db2.gz LOYJGFANPZPOAR-UHFFFAOYSA-N 2 0 325.478 1.368 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000891450486 591076707 /nfs/dbraw/zinc/07/67/07/591076707.db2.gz IDCDEJZKLPUBHP-YOEHRIQHSA-N 2 0 334.464 1.691 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccsc2C(=O)OC)CC1 ZINC000892573488 591077385 /nfs/dbraw/zinc/07/73/85/591077385.db2.gz CZGXTPAHYXUQEK-CYBMUJFWSA-N 2 0 325.478 1.650 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892599752 591088933 /nfs/dbraw/zinc/08/89/33/591088933.db2.gz UIKPEIVANYQGME-YVSFHVDLSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000892612217 591096477 /nfs/dbraw/zinc/09/64/77/591096477.db2.gz TWUNHVXSPIFCCE-WMZOPIPTSA-N 2 0 346.475 1.199 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000892625984 591101267 /nfs/dbraw/zinc/10/12/67/591101267.db2.gz KFFDYHQTSUOLDY-BBWFWOEESA-N 2 0 346.475 1.928 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000891517876 591103294 /nfs/dbraw/zinc/10/32/94/591103294.db2.gz MQIWADAQWXSISP-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@@H](C)C1 ZINC000891564169 591127572 /nfs/dbraw/zinc/12/75/72/591127572.db2.gz LOQUOFLNRNUKBW-WMLDXEAASA-N 2 0 349.479 1.600 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892759303 591165037 /nfs/dbraw/zinc/16/50/37/591165037.db2.gz NOPFJGGMHWYDAE-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892790322 591179743 /nfs/dbraw/zinc/17/97/43/591179743.db2.gz ZWRJHNLWHGMNMW-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000892811448 591189566 /nfs/dbraw/zinc/18/95/66/591189566.db2.gz OPVONDROVWDLEM-RTBURBONSA-N 2 0 342.487 1.971 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892877201 591212952 /nfs/dbraw/zinc/21/29/52/591212952.db2.gz CUZMDCMULYUEEL-UHFFFAOYSA-N 2 0 325.482 1.531 20 0 EDADRP C[C@H](CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000891777133 591221722 /nfs/dbraw/zinc/22/17/22/591221722.db2.gz LZCYHBGTWBUNDY-ZIAGYGMSSA-N 2 0 332.439 1.795 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)C1(F)F ZINC000894211307 591231925 /nfs/dbraw/zinc/23/19/25/591231925.db2.gz OIHMVVOMYXUTOY-CABCVRRESA-N 2 0 345.434 1.189 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000892951726 591237551 /nfs/dbraw/zinc/23/75/51/591237551.db2.gz QSAYBTBQDPIJBV-ARFHVFGLSA-N 2 0 330.444 1.447 20 0 EDADRP C[C@@H]1CSCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000893021718 591257793 /nfs/dbraw/zinc/25/77/93/591257793.db2.gz GRNRPCPDPCFJLQ-HUUCEWRRSA-N 2 0 340.537 1.692 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CC(S(C)(=O)=O)C2)(c2ccccc2)CC1 ZINC000895825480 591281844 /nfs/dbraw/zinc/28/18/44/591281844.db2.gz JAQAOGSAIJNXBY-UHFFFAOYSA-N 2 0 336.501 1.815 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2N[C@H]2CCOC3(CCOCC3)C2)CC1 ZINC000894367015 591291654 /nfs/dbraw/zinc/29/16/54/591291654.db2.gz QOLGUPHAFVCUFA-INIZCTEOSA-N 2 0 346.475 1.974 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)C2)CC1 ZINC000896017251 591324236 /nfs/dbraw/zinc/32/42/36/591324236.db2.gz LAAJUPGTNRGCBU-HKUYNNGSSA-N 2 0 349.519 1.678 20 0 EDADRP CCO[C@H](CNc1cc(N2CCCC[C@@H]2CO)ncn1)C[NH+](C)C ZINC000896117453 591349870 /nfs/dbraw/zinc/34/98/70/591349870.db2.gz UQJJYUFGYOADDN-HUUCEWRRSA-N 2 0 337.468 1.206 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]CCO[C@H]2CCCCO2)CC1 ZINC000894799957 591420380 /nfs/dbraw/zinc/42/03/80/591420380.db2.gz QOPFRUKRRBRVTQ-KRWDZBQOSA-N 2 0 328.453 1.537 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000894817521 591427884 /nfs/dbraw/zinc/42/78/84/591427884.db2.gz SCUFVUGUZKWGEC-INIZCTEOSA-N 2 0 341.496 1.944 20 0 EDADRP CO[C@H]1CCC[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000894854260 591444336 /nfs/dbraw/zinc/44/43/36/591444336.db2.gz FBWXCXLUGLUVOR-IRXDYDNUSA-N 2 0 325.497 1.916 20 0 EDADRP CCOCc1nc(C)cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000894871544 591452288 /nfs/dbraw/zinc/45/22/88/591452288.db2.gz OIQZQZIQMGPPIB-HZPDHXFCSA-N 2 0 335.496 1.497 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)C3C[NH+](C4CCOCC4)C3)CC2)CC1 ZINC000896400589 591452783 /nfs/dbraw/zinc/45/27/83/591452783.db2.gz QSYTXRUIZURQAY-UHFFFAOYSA-N 2 0 349.519 1.820 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC(C)(C)O1 ZINC000898647119 591456799 /nfs/dbraw/zinc/45/67/99/591456799.db2.gz PVZYVQNTGSYQTC-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000898663960 591461009 /nfs/dbraw/zinc/46/10/09/591461009.db2.gz AIFSLWXPPAQQNO-ZWKOTPCHSA-N 2 0 345.487 1.742 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CCC[NH+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610954 591547912 /nfs/dbraw/zinc/54/79/12/591547912.db2.gz ZQHOSTLCGRKFLF-DLTWYDFYSA-N 2 0 338.521 1.159 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000896749210 591602737 /nfs/dbraw/zinc/60/27/37/591602737.db2.gz OQMYMJGBXQGBGL-MRXNPFEDSA-N 2 0 336.480 1.119 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695949 591620984 /nfs/dbraw/zinc/62/09/84/591620984.db2.gz WJPUEKSZBYCMFT-KSSFIOAISA-N 2 0 341.496 1.821 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897752408 591643204 /nfs/dbraw/zinc/64/32/04/591643204.db2.gz ZWQVOUHBGSCPQM-MRXNPFEDSA-N 2 0 335.448 1.281 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000899446356 591807344 /nfs/dbraw/zinc/80/73/44/591807344.db2.gz GKRNNPMIJKBHFN-IPMKNSEASA-N 2 0 327.472 1.919 20 0 EDADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895599904 591814272 /nfs/dbraw/zinc/81/42/72/591814272.db2.gz ACWVOWNTENTOMN-GOSISDBHSA-N 2 0 329.444 1.942 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900192587 591936260 /nfs/dbraw/zinc/93/62/60/591936260.db2.gz PDDGVIBXEFYISW-ZMSDIMECSA-N 2 0 339.505 1.702 20 0 EDADRP COc1c[nH]c(CO)c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1=O ZINC000902169038 591937372 /nfs/dbraw/zinc/93/73/72/591937372.db2.gz BWOOGNUMAHHLQZ-AWEZNQCLSA-N 2 0 335.448 1.040 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900339892 591988955 /nfs/dbraw/zinc/98/89/55/591988955.db2.gz SPPXEIZTLIMDPQ-YJBOKZPZSA-N 3 0 343.475 1.789 20 0 EDADRP C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1([NH3+])CC1 ZINC000902391472 591990175 /nfs/dbraw/zinc/99/01/75/591990175.db2.gz XIQNTNLNONCPHJ-CQSZACIVSA-N 2 0 330.476 1.353 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000902395551 591990486 /nfs/dbraw/zinc/99/04/86/591990486.db2.gz GUGUKGQRTXTROG-ZIAGYGMSSA-N 2 0 329.452 1.071 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC000902403897 591991297 /nfs/dbraw/zinc/99/12/97/591991297.db2.gz UMODTEUTGWFLHE-ROUUACIJSA-N 2 0 338.540 1.151 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCC(C)(C)C2)CC[NH2+]CC1 ZINC000902454048 591998783 /nfs/dbraw/zinc/99/87/83/591998783.db2.gz FAJYLXDMPCLARF-OAHLLOKOSA-N 2 0 325.497 1.629 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)nc[nH]1 ZINC000902503410 592003652 /nfs/dbraw/zinc/00/36/52/592003652.db2.gz XJGIANFZDNFRTD-ZJIFWQFVSA-N 2 0 331.464 1.661 20 0 EDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000902485193 592005293 /nfs/dbraw/zinc/00/52/93/592005293.db2.gz IXEJCUFNVLNHDO-DKIMLUQUSA-N 2 0 347.459 1.739 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000900406221 592009764 /nfs/dbraw/zinc/00/97/64/592009764.db2.gz PBWXCDDHMPSTMQ-HKUYNNGSSA-N 2 0 333.476 1.561 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000900457597 592023271 /nfs/dbraw/zinc/02/32/71/592023271.db2.gz ZLPNWOPBRFMROJ-MRXNPFEDSA-N 2 0 333.432 1.286 20 0 EDADRP [NH3+]C[C@]12CC[C@@H]1CCN2c1cc(N2CC[C@H]3CC[C@@]32C[NH3+])ncn1 ZINC000900445940 592029182 /nfs/dbraw/zinc/02/91/82/592029182.db2.gz OLUWNXJGJKUBMD-DTTOXWODSA-N 2 0 328.464 1.112 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000902927528 592085597 /nfs/dbraw/zinc/08/55/97/592085597.db2.gz HZZIFTSVOATSOJ-QAPCUYQASA-N 2 0 345.491 1.961 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761282 592109252 /nfs/dbraw/zinc/10/92/52/592109252.db2.gz QCHVSQIERKIHPI-MSOLQXFVSA-N 2 0 335.492 1.574 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@]23CCOC3)C1 ZINC000903148025 592128910 /nfs/dbraw/zinc/12/89/10/592128910.db2.gz PBYOZGQDZZINGB-QYZOEREBSA-N 2 0 332.444 1.291 20 0 EDADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)CC1 ZINC000903443609 592172562 /nfs/dbraw/zinc/17/25/62/592172562.db2.gz FIDBWQDXMPQHJJ-AEFFLSMTSA-N 2 0 336.524 1.108 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482438 592176979 /nfs/dbraw/zinc/17/69/79/592176979.db2.gz HWQXJFIULDXHIF-CABCVRRESA-N 2 0 331.416 1.015 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)N(C)c1ccccc1)C2 ZINC000903491768 592185098 /nfs/dbraw/zinc/18/50/98/592185098.db2.gz AEZONZMKVHLQRD-ZTENYAIWSA-N 2 0 345.443 1.250 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOCCOc1ccccc1)C2 ZINC000903492705 592185529 /nfs/dbraw/zinc/18/55/29/592185529.db2.gz QLOIWWXSDKEMIL-FCEWJHQRSA-N 2 0 348.443 1.294 20 0 EDADRP C[C@H](Cc1c(F)cccc1F)NC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903497196 592188368 /nfs/dbraw/zinc/18/83/68/592188368.db2.gz PUESBLVEXBXILK-MGPQQGTHSA-N 2 0 339.430 1.929 20 0 EDADRP Cn1c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nnc1C1CC1 ZINC000903508659 592189211 /nfs/dbraw/zinc/18/92/11/592189211.db2.gz PQICIGOPPBTZQH-IYBDPMFKSA-N 2 0 330.480 1.093 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)Nc1cccc(F)c1 ZINC000903511753 592191130 /nfs/dbraw/zinc/19/11/30/592191130.db2.gz YDOOAGNWOQPPNZ-HDICACEKSA-N 2 0 346.450 1.665 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906656747 592239184 /nfs/dbraw/zinc/23/91/84/592239184.db2.gz TWYMKLZREAFASI-ZDUSSCGKSA-N 2 0 332.448 1.419 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1Cc1ccc(N2CC[NH2+]CC2)o1 ZINC000904374894 592240954 /nfs/dbraw/zinc/24/09/54/592240954.db2.gz XKZNSBSRIXCAEO-SFHVURJKSA-N 2 0 326.444 1.747 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103928 592245958 /nfs/dbraw/zinc/24/59/58/592245958.db2.gz ITRGGQSDBLNVFE-ROUUACIJSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665572 592248132 /nfs/dbraw/zinc/24/81/32/592248132.db2.gz ZIWKOHQRSDHBBL-CYBMUJFWSA-N 2 0 332.448 1.273 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904509713 592273833 /nfs/dbraw/zinc/27/38/33/592273833.db2.gz JYWINTUYHBGAKO-SJORKVTESA-N 2 0 332.448 1.469 20 0 EDADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727082 592286013 /nfs/dbraw/zinc/28/60/13/592286013.db2.gz PVTYLFPZULPNAZ-WDYCEAGBSA-N 2 0 337.508 1.628 20 0 EDADRP O=S(=O)(CC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749668 592294295 /nfs/dbraw/zinc/29/42/95/592294295.db2.gz ODWGCAGZKFUOOX-HOTGVXAUSA-N 2 0 337.489 1.750 20 0 EDADRP COC(=O)CC[N@H+](C[C@@H]1CCCO1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753780 592296574 /nfs/dbraw/zinc/29/65/74/592296574.db2.gz YDCNMFTUJWECBW-HOTGVXAUSA-N 2 0 340.464 1.189 20 0 EDADRP CCCCNC(=O)C1([NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903734246 592297833 /nfs/dbraw/zinc/29/78/33/592297833.db2.gz WLTOHYUZBYGMCG-WMZOPIPTSA-N 2 0 337.508 1.964 20 0 EDADRP Cc1csc(N2CC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C[C@H]2C)n1 ZINC000903740844 592303423 /nfs/dbraw/zinc/30/34/23/592303423.db2.gz ZWGUNHHNKYGCGN-HLLBOEOZSA-N 2 0 336.505 1.731 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000906741821 592306743 /nfs/dbraw/zinc/30/67/43/592306743.db2.gz XIMVZSPGBAWBPD-IAGOWNOFSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)C[C@@H]([NH3+])Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904674644 592310016 /nfs/dbraw/zinc/31/00/16/592310016.db2.gz ZVLNJLCEXBAFAP-CQSZACIVSA-N 2 0 344.463 1.799 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000904915751 592344325 /nfs/dbraw/zinc/34/43/25/592344325.db2.gz AXTUVIABWYWKNM-PKOBYXMFSA-N 2 0 332.492 1.609 20 0 EDADRP [NH3+]C1CC[NH+](CCc2cc(-c3ccc(-n4cncn4)cc3)no2)CC1 ZINC000901404877 592355721 /nfs/dbraw/zinc/35/57/21/592355721.db2.gz NFIKHKMRVACLPY-UHFFFAOYSA-N 2 0 338.415 1.888 20 0 EDADRP Cc1cc(NC(=O)CN2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)no1 ZINC000903879135 592359847 /nfs/dbraw/zinc/35/98/47/592359847.db2.gz UCSFLRBFTSMQDL-MQVJKMGUSA-N 2 0 347.463 1.070 20 0 EDADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C[C@@]1(O)CCOC1 ZINC000905036866 592374624 /nfs/dbraw/zinc/37/46/24/592374624.db2.gz VYKPKLNFNCDTKN-MOPGFXCFSA-N 2 0 334.460 1.274 20 0 EDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920029 592376872 /nfs/dbraw/zinc/37/68/72/592376872.db2.gz RJNKSAKQDPORSV-QAPCUYQASA-N 2 0 326.448 1.952 20 0 EDADRP c1ncn(-c2cccc(C[NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)c2)n1 ZINC000903919271 592377350 /nfs/dbraw/zinc/37/73/50/592377350.db2.gz CGHBNDHMJQSLBL-MRXNPFEDSA-N 2 0 338.419 1.073 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000903930297 592382811 /nfs/dbraw/zinc/38/28/11/592382811.db2.gz WQJQXBYBPMFDOB-AEFFLSMTSA-N 2 0 326.448 1.349 20 0 EDADRP CCn1cc(C[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C(C)C)cn1 ZINC000903933180 592384473 /nfs/dbraw/zinc/38/44/73/592384473.db2.gz ZUEWXVBNHHIONS-MRXNPFEDSA-N 2 0 332.496 1.973 20 0 EDADRP COC(=O)CC[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903937037 592388110 /nfs/dbraw/zinc/38/81/10/592388110.db2.gz AHXOFBZIYSGMTO-CVEARBPZSA-N 2 0 336.480 1.511 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)CCC3(O)CCC3)CC2)CC1 ZINC000905082037 592389490 /nfs/dbraw/zinc/38/94/90/592389490.db2.gz RPPYKZFZXKMIHR-SFHVURJKSA-N 2 0 339.524 1.191 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905087053 592391728 /nfs/dbraw/zinc/39/17/28/592391728.db2.gz DHDTZNMFLZXDHG-KRWDZBQOSA-N 2 0 328.497 1.381 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905089799 592393223 /nfs/dbraw/zinc/39/32/23/592393223.db2.gz REOWCBSWDIXGDK-OALUTQOASA-N 2 0 336.476 1.562 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC1=Cc3ccccc3OC1)C2 ZINC000903976998 592398382 /nfs/dbraw/zinc/39/83/82/592398382.db2.gz HBSLJABCTUHLJQ-FCEWJHQRSA-N 2 0 328.412 1.675 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(C)nc3sc(C)nn13)C2 ZINC000903978410 592399278 /nfs/dbraw/zinc/39/92/78/592399278.db2.gz DRWDLZWRORGIJV-OZVIIMIRSA-N 2 0 349.460 1.120 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3ncccc3c1)C2 ZINC000903979065 592400386 /nfs/dbraw/zinc/40/03/86/592400386.db2.gz UPYYFRSPZFQBCU-FCEWJHQRSA-N 2 0 325.412 1.947 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986707 592405930 /nfs/dbraw/zinc/40/59/30/592405930.db2.gz PXJQNZNIEQRRBQ-HFTRVMKXSA-N 2 0 349.479 1.056 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3C[NH2+]CC3(C)C)cc2)CC1 ZINC000904282639 592468753 /nfs/dbraw/zinc/46/87/53/592468753.db2.gz UNYJQBXGIRHJRC-QGZVFWFLSA-N 2 0 345.491 1.948 20 0 EDADRP O[C@H](C[NH2+]C[C@H](O)CC1(O)CCCC1)CN1CCc2ccccc2C1 ZINC000905345082 592500823 /nfs/dbraw/zinc/50/08/23/592500823.db2.gz LDFSRMGZQQIQCL-RTBURBONSA-N 2 0 348.487 1.051 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000905342083 592512027 /nfs/dbraw/zinc/51/20/27/592512027.db2.gz FEPFCCWIWBGJRN-NVXWUHKLSA-N 2 0 341.521 1.265 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COC(C)C)C2)[C@H]1C(C)C ZINC000905502909 592546275 /nfs/dbraw/zinc/54/62/75/592546275.db2.gz LWWOQGYUOZKPMJ-ZKXLYKBJSA-N 2 0 328.497 1.232 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504805 592547005 /nfs/dbraw/zinc/54/70/05/592547005.db2.gz YGJIVLORWBNZDN-NNIGNNQHSA-N 2 0 342.524 1.623 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC1(O)CCCC1)C2 ZINC000905496381 592553690 /nfs/dbraw/zinc/55/36/90/592553690.db2.gz SCZFICBYKOLDTC-PNKHAZJDSA-N 2 0 340.508 1.112 20 0 EDADRP Cc1nc(-c2ccncc2)nc(NCCN2CCC([NH3+])CC2)c1C ZINC000905704750 592616990 /nfs/dbraw/zinc/61/69/90/592616990.db2.gz KQAARJVVEKMKHQ-UHFFFAOYSA-N 2 0 326.448 1.412 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)[NH+](C)C ZINC000907634767 592735281 /nfs/dbraw/zinc/73/52/81/592735281.db2.gz JLNNNLXTACFFBI-MRHSLFKSSA-N 2 0 333.476 1.558 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000909261768 592788687 /nfs/dbraw/zinc/78/86/87/592788687.db2.gz NBNXYUAMAXPQHE-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)(C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000906440054 592818564 /nfs/dbraw/zinc/81/85/64/592818564.db2.gz BYHOTQYTZURHQY-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000906521122 592839687 /nfs/dbraw/zinc/83/96/87/592839687.db2.gz PAQISYAYRUENTI-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC000910876492 592899440 /nfs/dbraw/zinc/89/94/40/592899440.db2.gz WNISNLKJYHOHKC-NVXWUHKLSA-N 2 0 325.497 1.268 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1CCOC2)c1ccccc1 ZINC000911632722 592970414 /nfs/dbraw/zinc/97/04/14/592970414.db2.gz JKURLTGWJGLOAF-GGPKGHCWSA-N 2 0 345.487 1.812 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634084 592970923 /nfs/dbraw/zinc/97/09/23/592970923.db2.gz ZGKZTTLDZHECHM-MJGOQNOKSA-N 2 0 333.476 1.690 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000911664207 592973084 /nfs/dbraw/zinc/97/30/84/592973084.db2.gz JCFRWLQMKQKGJA-MRXNPFEDSA-N 2 0 341.411 1.607 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1([NH3+])C[C@@H]1c1ccccc1 ZINC000911663538 592973243 /nfs/dbraw/zinc/97/32/43/592973243.db2.gz DVQNQTNXFUDCFW-GPMSIDNRSA-N 2 0 325.412 1.696 20 0 EDADRP C[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)[NH2+]1 ZINC000911798688 593012256 /nfs/dbraw/zinc/01/22/56/593012256.db2.gz WEHAFWBQCWJUEU-HZPDHXFCSA-N 2 0 333.476 1.768 20 0 EDADRP C[N@@H+]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C[C@@H]1C(C)(C)C ZINC000912026172 593049174 /nfs/dbraw/zinc/04/91/74/593049174.db2.gz DXRNSGSJZTWYTK-OAHLLOKOSA-N 2 0 325.497 1.534 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000912203761 593071555 /nfs/dbraw/zinc/07/15/55/593071555.db2.gz CQAYMGZEHBDJJL-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CC[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+](CC)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000912406846 593093743 /nfs/dbraw/zinc/09/37/43/593093743.db2.gz FNXVCUDUHPJLAB-BPQIPLTHSA-N 2 0 349.523 1.992 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)[N@H+]1C ZINC000838476024 593177194 /nfs/dbraw/zinc/17/71/94/593177194.db2.gz LJNCCQHOLAZFNE-HLLBOEOZSA-N 2 0 338.496 1.364 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C)nc1N(C)C ZINC000810496151 593406090 /nfs/dbraw/zinc/40/60/90/593406090.db2.gz ONKWNIUVAVOIHP-AWEZNQCLSA-N 2 0 349.479 1.631 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000811874399 593485056 /nfs/dbraw/zinc/48/50/56/593485056.db2.gz CVRSBLGYCHMJAX-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817891582 593645638 /nfs/dbraw/zinc/64/56/38/593645638.db2.gz DNKBULNUGDOPOX-HZPDHXFCSA-N 2 0 325.478 1.213 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896659 593646747 /nfs/dbraw/zinc/64/67/47/593646747.db2.gz NYOJPDHCEBASFX-OCCSQVGLSA-N 2 0 344.839 1.488 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817902669 593647349 /nfs/dbraw/zinc/64/73/49/593647349.db2.gz WLOIPEDYANPOHA-NEPJUHHUSA-N 2 0 343.415 1.550 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1cccc(Br)c1 ZINC000817932340 593649639 /nfs/dbraw/zinc/64/96/39/593649639.db2.gz VEEZPQADWKOGPJ-KBPBESRZSA-N 2 0 331.254 1.826 20 0 EDADRP C[NH+]1CCC(CC[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818989631 593732736 /nfs/dbraw/zinc/73/27/36/593732736.db2.gz OSLJVCVMMSWAQW-HNNXBMFYSA-N 2 0 329.485 1.584 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819059486 593736673 /nfs/dbraw/zinc/73/66/73/593736673.db2.gz CPGVKAWLYWMZGE-INIZCTEOSA-N 2 0 325.884 1.989 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135201 593740777 /nfs/dbraw/zinc/74/07/77/593740777.db2.gz VBOXWPUFZANJKZ-RRFJBIMHSA-N 2 0 329.485 1.725 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819367032 593752112 /nfs/dbraw/zinc/75/21/12/593752112.db2.gz VQZLGDSIROOFHP-HUUCEWRRSA-N 2 0 329.485 1.584 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCC[C@@H]2CCCO)C1 ZINC000820809702 593895203 /nfs/dbraw/zinc/89/52/03/593895203.db2.gz GUOBZNTUYKJEJA-ZACQAIPSSA-N 2 0 325.497 1.495 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821253742 593997806 /nfs/dbraw/zinc/99/78/06/593997806.db2.gz HZILVQHTUDLUIL-WMLDXEAASA-N 2 0 344.463 1.908 20 0 EDADRP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000821255373 593999397 /nfs/dbraw/zinc/99/93/97/593999397.db2.gz ZCUSSPXRISDHTI-AWEZNQCLSA-N 2 0 330.436 1.697 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824568846 594040089 /nfs/dbraw/zinc/04/00/89/594040089.db2.gz DPYOPSIUVGASRZ-QWHCGFSZSA-N 2 0 347.442 1.292 20 0 EDADRP CN(C)C(=O)O[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000824576220 594041404 /nfs/dbraw/zinc/04/14/04/594041404.db2.gz DJDGQVMLVZXJAR-QGZVFWFLSA-N 2 0 335.448 1.900 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)ccn1 ZINC000824797652 594076455 /nfs/dbraw/zinc/07/64/55/594076455.db2.gz NUWOXIGJKOUPRP-CRAIPNDOSA-N 2 0 348.491 1.852 20 0 EDADRP C[C@@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000825868379 594265518 /nfs/dbraw/zinc/26/55/18/594265518.db2.gz OWSWPODXKSOFRC-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000825963719 594292906 /nfs/dbraw/zinc/29/29/06/594292906.db2.gz FAHTZMKXPONACB-HRCADAONSA-N 2 0 328.501 1.467 20 0 EDADRP c1cc(-c2nn[nH]n2)ccc1OCC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000826514311 594512083 /nfs/dbraw/zinc/51/20/83/594512083.db2.gz NNGIFDBJPKQBRI-UHFFFAOYSA-N 2 0 342.447 1.710 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)CCc3c[nH]cn3)C2)c1 ZINC000826555460 594524325 /nfs/dbraw/zinc/52/43/25/594524325.db2.gz BUBSIIMTXRIHSG-GOSISDBHSA-N 2 0 342.443 1.668 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000831110678 594558612 /nfs/dbraw/zinc/55/86/12/594558612.db2.gz VCHDISCOFSKDND-UHFFFAOYSA-N 2 0 333.480 1.864 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@@H]2C1 ZINC000831570969 594683998 /nfs/dbraw/zinc/68/39/98/594683998.db2.gz JOBLFHFMCDHNPO-MELADBBJSA-N 2 0 333.398 1.813 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CC[C@H]2CN(C(=O)C(F)(F)F)C[C@H]2C1 ZINC000831570965 594684066 /nfs/dbraw/zinc/68/40/66/594684066.db2.gz JOBLFHFMCDHNPO-BFHYXJOUSA-N 2 0 333.398 1.813 20 0 EDADRP COCC1(C[NH2+]Cc2cc(Br)nn2C)CC[NH2+]CC1 ZINC000841068549 594846758 /nfs/dbraw/zinc/84/67/58/594846758.db2.gz QLLCHIDRMPXVJN-UHFFFAOYSA-N 2 0 331.258 1.288 20 0 EDADRP COCC[NH2+]CCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000841752055 594947837 /nfs/dbraw/zinc/94/78/37/594947837.db2.gz FJMVQYHGMIXXSE-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000841833188 594959734 /nfs/dbraw/zinc/95/97/34/594959734.db2.gz SYBJDIHPSVKUAZ-AEFFLSMTSA-N 2 0 328.460 1.657 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCC[NH2+]1 ZINC000841847150 594964206 /nfs/dbraw/zinc/96/42/06/594964206.db2.gz RDCGMBMZLCSGJK-YJBOKZPZSA-N 2 0 331.416 1.676 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000841849904 594965019 /nfs/dbraw/zinc/96/50/19/594965019.db2.gz OVNNCOFDWHAIEN-UHFFFAOYSA-N 2 0 338.496 1.417 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841976371 594993882 /nfs/dbraw/zinc/99/38/82/594993882.db2.gz CEIBJUIGXPZNNK-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C4CC[NH2+]CC4)n3)c2)CC1 ZINC000843208166 595035957 /nfs/dbraw/zinc/03/59/57/595035957.db2.gz IEDRTZQWRYZZQC-UHFFFAOYSA-N 2 0 328.420 1.350 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842262315 595058686 /nfs/dbraw/zinc/05/86/86/595058686.db2.gz DCRQTCNQWVOWAP-UHFFFAOYSA-N 2 0 348.491 1.340 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=S)NCC2CC[NH+](C)CC2)C[C@@H]1C ZINC000843280064 595060746 /nfs/dbraw/zinc/06/07/46/595060746.db2.gz QQAUEJDMYMJPBL-GASCZTMLSA-N 2 0 342.553 1.244 20 0 EDADRP C[C@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355407 595085648 /nfs/dbraw/zinc/08/56/48/595085648.db2.gz NDXRNZFYMWPWJN-ZGRYLRDCSA-N 2 0 325.497 1.900 20 0 EDADRP COc1cccc([C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000844165891 595288834 /nfs/dbraw/zinc/28/88/34/595288834.db2.gz QFRGHPLYUWIGGD-DLBZAZTESA-N 2 0 335.448 1.183 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000844172432 595290966 /nfs/dbraw/zinc/29/09/66/595290966.db2.gz XWEUUPMIIAIQGP-JFIYKMOQSA-N 2 0 337.508 1.772 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CO[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000844177847 595293397 /nfs/dbraw/zinc/29/33/97/595293397.db2.gz HYCYHLBUHJVQGE-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844184164 595295591 /nfs/dbraw/zinc/29/55/91/595295591.db2.gz BCOPEKSDDVIFCO-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223566 595307753 /nfs/dbraw/zinc/30/77/53/595307753.db2.gz ZEFQTQDWSHSDLC-INIZCTEOSA-N 2 0 346.475 1.523 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875529 595330597 /nfs/dbraw/zinc/33/05/97/595330597.db2.gz SKOBRPWPSPRUOV-QAPCUYQASA-N 2 0 341.496 1.774 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848900784 595464846 /nfs/dbraw/zinc/46/48/46/595464846.db2.gz QGFXAENJAJJJLJ-FPLPWBNLSA-N 2 0 335.448 1.583 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCc2ccc(OCCC[NH+](C)C)cc2)CCO1 ZINC000849094570 595480672 /nfs/dbraw/zinc/48/06/72/595480672.db2.gz BIPQTXJIPQQCIG-HNNXBMFYSA-N 2 0 334.464 1.762 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCO[C@H](C)C1 ZINC000849104033 595482189 /nfs/dbraw/zinc/48/21/89/595482189.db2.gz JRDGWPFGPTUPTR-CVEARBPZSA-N 3 0 325.501 1.086 20 0 EDADRP CCCCCCNC(=[NH2+])NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103740 595482311 /nfs/dbraw/zinc/48/23/11/595482311.db2.gz YYHUKQAOLCPIMY-UHFFFAOYSA-N 2 0 325.501 1.673 20 0 EDADRP COc1ccccc1CNC(=[NH2+])NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000849108521 595483020 /nfs/dbraw/zinc/48/30/20/595483020.db2.gz WNEGBDODSBGSFZ-UHFFFAOYSA-N 2 0 333.480 1.335 20 0 EDADRP C[C@H]1CCCN(C(=[NH2+])NCC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000849116375 595484566 /nfs/dbraw/zinc/48/45/66/595484566.db2.gz OIYBKJVFHKEHOA-INIZCTEOSA-N 2 0 337.512 1.039 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCC2(O)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000849117869 595484994 /nfs/dbraw/zinc/48/49/94/595484994.db2.gz YWFNUMTTZOOXAM-INIZCTEOSA-N 2 0 346.475 1.259 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000849349490 595509501 /nfs/dbraw/zinc/50/95/01/595509501.db2.gz AWBQQTPPIZHWMO-QGZVFWFLSA-N 2 0 331.460 1.762 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849485443 595547962 /nfs/dbraw/zinc/54/79/62/595547962.db2.gz WVMYIKRJLGOYFC-QZTJIDSGSA-N 2 0 349.523 1.690 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849523745 595557823 /nfs/dbraw/zinc/55/78/23/595557823.db2.gz XLUUVXKZXIXCON-FGTMMUONSA-N 2 0 347.507 1.444 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000849555896 595566446 /nfs/dbraw/zinc/56/64/46/595566446.db2.gz ZOFHZNSUEBNGEF-OWSLCNJRSA-N 2 0 345.491 1.151 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000852858773 595579808 /nfs/dbraw/zinc/57/98/08/595579808.db2.gz GWPDAQYWZAIATR-UHFFFAOYSA-N 2 0 329.444 1.892 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852862560 595583164 /nfs/dbraw/zinc/58/31/64/595583164.db2.gz BHENLIILEXMFGU-IRXDYDNUSA-N 2 0 334.508 1.313 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602805 595590850 /nfs/dbraw/zinc/59/08/50/595590850.db2.gz QWCQGWJUOXYSRH-IAGOWNOFSA-N 2 0 347.507 1.446 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612368 595596700 /nfs/dbraw/zinc/59/67/00/595596700.db2.gz KNUFQQYYDLETIH-IAGOWNOFSA-N 2 0 349.523 1.738 20 0 EDADRP O[C@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000853059253 595651329 /nfs/dbraw/zinc/65/13/29/595651329.db2.gz CGBZLQOVICFNDQ-HXUWFJFHSA-N 2 0 340.471 1.522 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754835 595721821 /nfs/dbraw/zinc/72/18/21/595721821.db2.gz DMNQEOVAPGRQGF-MOPGFXCFSA-N 2 0 335.467 1.961 20 0 EDADRP COc1cncc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c1 ZINC000850117582 595743829 /nfs/dbraw/zinc/74/38/29/595743829.db2.gz IDTWJFXGTYOSRE-UHFFFAOYSA-N 2 0 342.443 1.671 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000851673589 595879384 /nfs/dbraw/zinc/87/93/84/595879384.db2.gz IRCVWCQXGDRLQU-IAOVAPTHSA-N 2 0 334.439 1.652 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861567826 596031632 /nfs/dbraw/zinc/03/16/32/596031632.db2.gz PPBDMNOLWSHXOO-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000866667652 596286264 /nfs/dbraw/zinc/28/62/64/596286264.db2.gz UAGLALLUTFCPII-OKZBNKHCSA-N 2 0 331.460 1.546 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000870868396 596383631 /nfs/dbraw/zinc/38/36/31/596383631.db2.gz GCQGRFSKKQRBAI-UHFFFAOYSA-N 2 0 331.460 1.775 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[N@H+](C)C(C)(C)CC3)n2)CC1 ZINC000871154085 596481628 /nfs/dbraw/zinc/48/16/28/596481628.db2.gz BREGONXMFZGKRW-UHFFFAOYSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1)N1CC[NH+](C)CC1 ZINC000865450301 596579580 /nfs/dbraw/zinc/57/95/80/596579580.db2.gz ODWOWVPRJZEOTQ-QGZVFWFLSA-N 2 0 344.503 1.648 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000865457251 596580809 /nfs/dbraw/zinc/58/08/09/596580809.db2.gz SJUJJSLZEVCSEZ-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP CC(=O)NCC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000865494551 596590588 /nfs/dbraw/zinc/59/05/88/596590588.db2.gz CYKRRBJFNLQERZ-HWMSQKFYSA-N 2 0 337.508 1.649 20 0 EDADRP Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c(C)n1 ZINC000863549230 596614763 /nfs/dbraw/zinc/61/47/63/596614763.db2.gz DKENNGSJQUESFD-SJORKVTESA-N 2 0 330.432 1.455 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000869766805 596623419 /nfs/dbraw/zinc/62/34/19/596623419.db2.gz XETMDZGBFOBZQK-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP CC1(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[NH2+]CC1 ZINC000867967672 596637954 /nfs/dbraw/zinc/63/79/54/596637954.db2.gz LCWATWZEILIYKM-CYBMUJFWSA-N 2 0 340.265 1.955 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)cc2F)C[C@H]1C[NH+](C)C ZINC000870020743 596711968 /nfs/dbraw/zinc/71/19/68/596711968.db2.gz TVYDMQUTTSDHTM-HUUCEWRRSA-N 2 0 339.430 1.705 20 0 EDADRP CCC[C@@H]1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870021534 596712109 /nfs/dbraw/zinc/71/21/09/596712109.db2.gz HEWOKUNPRVDUJH-BRSBDYLESA-N 2 0 339.524 1.780 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000871817964 596712621 /nfs/dbraw/zinc/71/26/21/596712621.db2.gz IBBAXGITRLFXAP-INIZCTEOSA-N 2 0 343.537 1.704 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cc[nH]c3n2)C[C@H]1C[NH+](C)C ZINC000870022690 596713076 /nfs/dbraw/zinc/71/30/76/596713076.db2.gz XRIZWUWVOXZJTL-HUUCEWRRSA-N 2 0 329.448 1.374 20 0 EDADRP CC[C@@H]1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870022671 596713384 /nfs/dbraw/zinc/71/33/84/596713384.db2.gz WTWHMANNZYCKBA-YLFCFFPRSA-N 2 0 325.497 1.389 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C(N)=S)cc2)C[C@H]1C[NH+](C)C ZINC000870024324 596714119 /nfs/dbraw/zinc/71/41/19/596714119.db2.gz YMCABGAKYKYUFH-HZPDHXFCSA-N 2 0 348.516 1.132 20 0 EDADRP COc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1OC ZINC000870024707 596714505 /nfs/dbraw/zinc/71/45/05/596714505.db2.gz GSUBYPLCNHYDPH-HUUCEWRRSA-N 2 0 349.475 1.515 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3O2)C[C@H]1C[NH+](C)C ZINC000870024557 596714670 /nfs/dbraw/zinc/71/46/70/596714670.db2.gz SCDFIKSQGOLEFZ-NUJGCVRESA-N 2 0 331.460 1.188 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000868229721 596736141 /nfs/dbraw/zinc/73/61/41/596736141.db2.gz UCPAXHFITTVSCL-IXDOHACOSA-N 2 0 342.443 1.136 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[N@@H+]1C1CC1 ZINC000868231360 596736597 /nfs/dbraw/zinc/73/65/97/596736597.db2.gz DIIOCACUHYJMSE-WGHIXYSZSA-N 2 0 342.443 1.181 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)cc1 ZINC000868301186 596776414 /nfs/dbraw/zinc/77/64/14/596776414.db2.gz XCISOQKNGHXKRS-UHFFFAOYSA-N 2 0 346.475 1.724 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868309868 596783311 /nfs/dbraw/zinc/78/33/11/596783311.db2.gz NQASKVHUEWUMEJ-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP O[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CCN(Cc2ccccc2)C1 ZINC000872218981 596840613 /nfs/dbraw/zinc/84/06/13/596840613.db2.gz CGVFDZUGJLCWJT-HUTLCRKWSA-N 2 0 328.456 1.636 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000872256703 596856581 /nfs/dbraw/zinc/85/65/81/596856581.db2.gz ZYFSVXAYUZHLKM-XWESNNAXSA-N 2 0 343.427 1.661 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000872256208 596856610 /nfs/dbraw/zinc/85/66/10/596856610.db2.gz QTGUJAIRPPFPQM-AHEZYBDSSA-N 2 0 343.427 1.420 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)c2ccc(-n3ccnc3)nc2)n1 ZINC000120020662 596875375 /nfs/dbraw/zinc/87/53/75/596875375.db2.gz CEWKMJSOLUNGOB-UHFFFAOYSA-N 2 0 325.376 1.278 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(N2CCNC2=O)cc1 ZINC000866412113 596880235 /nfs/dbraw/zinc/88/02/35/596880235.db2.gz DEUYQVFXCAUAJV-HOCLYGCPSA-N 2 0 346.475 1.712 20 0 EDADRP CCn1ccnc1[C@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875644813 596931392 /nfs/dbraw/zinc/93/13/92/596931392.db2.gz NPMQOUKOMJGNKG-HNNXBMFYSA-N 2 0 349.479 1.718 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875725983 596963168 /nfs/dbraw/zinc/96/31/68/596963168.db2.gz HTBXXVVRQKIIOM-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCOC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000875737660 596967353 /nfs/dbraw/zinc/96/73/53/596967353.db2.gz OIPACIYTXDGFSN-HZPDHXFCSA-N 2 0 342.528 1.572 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)C ZINC000874429463 597074872 /nfs/dbraw/zinc/07/48/72/597074872.db2.gz KHTYSJNWQMNXQZ-STQMWFEESA-N 2 0 338.418 1.884 20 0 EDADRP CN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000873204741 597226223 /nfs/dbraw/zinc/22/62/23/597226223.db2.gz FYCALCCJTJXRLZ-GFCCVEGCSA-N 2 0 347.406 1.989 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nn1 ZINC000873218227 597231430 /nfs/dbraw/zinc/23/14/30/597231430.db2.gz ZVKJEFHPWRBRTG-BZUAXINKSA-N 3 0 326.448 1.204 20 0 EDADRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873289331 597248978 /nfs/dbraw/zinc/24/89/78/597248978.db2.gz HPTAPDZOHXGZCA-SJORKVTESA-N 2 0 337.508 1.916 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875042346 597256615 /nfs/dbraw/zinc/25/66/15/597256615.db2.gz RLNHLHONODPILN-INIZCTEOSA-N 2 0 340.512 1.251 20 0 EDADRP C[NH+](C)CCC1CC[NH+](Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876631447 597268950 /nfs/dbraw/zinc/26/89/50/597268950.db2.gz JIVLJMVXWIPBOA-UHFFFAOYSA-N 2 0 325.478 1.498 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000876716589 597302335 /nfs/dbraw/zinc/30/23/35/597302335.db2.gz IGYAPGKTJQUQPF-QGZVFWFLSA-N 2 0 347.507 1.966 20 0 EDADRP CC(C)CCOCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875172409 597313608 /nfs/dbraw/zinc/31/36/08/597313608.db2.gz VYWJQONQFPGXDQ-IAGOWNOFSA-N 2 0 342.528 1.430 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875172242 597313920 /nfs/dbraw/zinc/31/39/20/597313920.db2.gz OEXBFZRHCRDZFV-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1(F)F ZINC000876738606 597315256 /nfs/dbraw/zinc/31/52/56/597315256.db2.gz IAXSYQCKLMUCPD-MRVWCRGKSA-N 2 0 343.443 1.916 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876751879 597322027 /nfs/dbraw/zinc/32/20/27/597322027.db2.gz ZXGLZXWQSRIAMC-JKSUJKDBSA-N 2 0 333.480 1.720 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc2O1 ZINC000876779065 597337933 /nfs/dbraw/zinc/33/79/33/597337933.db2.gz VJQBHTYQAVQBNM-YJLNNSPDSA-N 2 0 329.444 1.874 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782334 597338941 /nfs/dbraw/zinc/33/89/41/597338941.db2.gz PAYSRYPYXNZNGW-YOEHRIQHSA-N 2 0 334.439 1.715 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC000876839947 597355043 /nfs/dbraw/zinc/35/50/43/597355043.db2.gz DPDJRCNPPKLABP-VQTJNVASSA-N 2 0 335.451 1.828 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000876857581 597360714 /nfs/dbraw/zinc/36/07/14/597360714.db2.gz SKGNPQRSCYDQAU-UBHSHLNASA-N 2 0 327.350 1.916 20 0 EDADRP C[C@H](NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876900868 597378294 /nfs/dbraw/zinc/37/82/94/597378294.db2.gz SJWWFXFWKSEPCL-DZOHQFGASA-N 2 0 333.451 1.961 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875346947 597393664 /nfs/dbraw/zinc/39/36/64/597393664.db2.gz TZUORMDQUUHJCX-ILXRZTDVSA-N 2 0 326.485 1.004 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000877016205 597412220 /nfs/dbraw/zinc/41/22/20/597412220.db2.gz CYTXIDXZHAIXNV-UHFFFAOYSA-N 2 0 329.485 1.726 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000877019574 597413406 /nfs/dbraw/zinc/41/34/06/597413406.db2.gz ZSZXZXSANVWNGJ-OCCSQVGLSA-N 2 0 333.398 1.847 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C[C@H]1C[NH+](C)C ZINC000877143898 597441984 /nfs/dbraw/zinc/44/19/84/597441984.db2.gz XWRWZOXOPHASET-TVFCKZIOSA-N 3 0 338.540 1.482 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2N)C[C@H]1C[NH+](C)C ZINC000877143932 597442023 /nfs/dbraw/zinc/44/20/23/597442023.db2.gz YYXSHFIPDOGFSZ-IAGOWNOFSA-N 2 0 332.492 1.399 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000877249508 597479033 /nfs/dbraw/zinc/47/90/33/597479033.db2.gz WIQKZIHIBDQQJM-FGTMMUONSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC[NH2+]CC1 ZINC000877253037 597480521 /nfs/dbraw/zinc/48/05/21/597480521.db2.gz HNFGGBRDVAGVLL-MRXNPFEDSA-N 2 0 344.503 1.552 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000877267009 597483708 /nfs/dbraw/zinc/48/37/08/597483708.db2.gz ORURSGUQGKPGBH-MRXNPFEDSA-N 2 0 327.538 1.908 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877281576 597486007 /nfs/dbraw/zinc/48/60/07/597486007.db2.gz IQGAJNUPUDNKCH-OALUTQOASA-N 2 0 342.487 1.552 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448349 597517014 /nfs/dbraw/zinc/51/70/14/597517014.db2.gz DNSYCWLYYDJRFB-VNQPRFMTSA-N 2 0 339.480 1.413 20 0 EDADRP COc1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc2c1OCO2 ZINC000877667851 597546174 /nfs/dbraw/zinc/54/61/74/597546174.db2.gz BMIMPALTKTWDTA-HZPDHXFCSA-N 2 0 349.475 1.595 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc4oc(=O)oc4c3)C2)CC1 ZINC000882994056 597610712 /nfs/dbraw/zinc/61/07/12/597610712.db2.gz RCQARNSWMINOCU-CQSZACIVSA-N 2 0 331.416 1.644 20 0 EDADRP COC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000883178696 597678152 /nfs/dbraw/zinc/67/81/52/597678152.db2.gz CGZAOSFIPSOOJT-QZTJIDSGSA-N 2 0 348.491 1.365 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883301867 597707168 /nfs/dbraw/zinc/70/71/68/597707168.db2.gz KKZOIVHSARIRHU-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826050 597726020 /nfs/dbraw/zinc/72/60/20/597726020.db2.gz PANKDFRIRNCLRC-KFWWJZLASA-N 2 0 343.512 1.969 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431910 597744183 /nfs/dbraw/zinc/74/41/83/597744183.db2.gz GKMQXJXARFUJCE-DLBZAZTESA-N 2 0 349.479 1.350 20 0 EDADRP COC(=O)C(C)(C)C[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)CC(C)C ZINC000883461666 597758245 /nfs/dbraw/zinc/75/82/45/597758245.db2.gz ZZRPZZYUCGLSRO-UHFFFAOYSA-N 2 0 326.441 1.921 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C(C)(C)O)C2)CC1 ZINC000879962616 597786503 /nfs/dbraw/zinc/78/65/03/597786503.db2.gz UXAANRJMKDCMCZ-OAHLLOKOSA-N 2 0 325.497 1.458 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883585657 597813748 /nfs/dbraw/zinc/81/37/48/597813748.db2.gz URZUVVKSCQVMGG-DAYGRLMNSA-N 2 0 343.475 1.830 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586758 597815088 /nfs/dbraw/zinc/81/50/88/597815088.db2.gz RUJYXDHIDVFRCV-YOEHRIQHSA-N 2 0 331.464 1.687 20 0 EDADRP COCC[N@@H+](CC(=O)N1C[C@@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123227 597826254 /nfs/dbraw/zinc/82/62/54/597826254.db2.gz SYSQWFMBHSTRHG-IRXDYDNUSA-N 2 0 339.524 1.781 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)COC[C@H]1CCCO1)CC2 ZINC000879248437 597864339 /nfs/dbraw/zinc/86/43/39/597864339.db2.gz ONUKESSULNUPPZ-DLBZAZTESA-N 2 0 326.481 1.351 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000127635479 597874071 /nfs/dbraw/zinc/87/40/71/597874071.db2.gz YGIXJRLZNILWFF-CYBMUJFWSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCO1 ZINC000884042837 597976334 /nfs/dbraw/zinc/97/63/34/597976334.db2.gz JITGIKHUFTVPAV-TVYUQYBPSA-N 2 0 342.237 1.024 20 0 EDADRP CC[N@H+]1[C@H](C)CN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1C ZINC000880609097 597979850 /nfs/dbraw/zinc/97/98/50/597979850.db2.gz QCSBNXAKQMNDCN-UXLLHSPISA-N 2 0 325.497 1.721 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000884185351 598018448 /nfs/dbraw/zinc/01/84/48/598018448.db2.gz SZBAOQNLKNMSLA-UHFFFAOYSA-N 2 0 331.460 1.985 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000884223293 598034383 /nfs/dbraw/zinc/03/43/83/598034383.db2.gz NEPDDJFEAMANKL-MRXNPFEDSA-N 2 0 335.448 1.772 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884228387 598036914 /nfs/dbraw/zinc/03/69/14/598036914.db2.gz PAIXLDXKUWDPHF-KRWDZBQOSA-N 2 0 345.443 1.530 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239726 598039576 /nfs/dbraw/zinc/03/95/76/598039576.db2.gz ZUZJIFLBFRVOCN-SJORKVTESA-N 2 0 343.475 1.095 20 0 EDADRP [NH3+][C@@H](C(=O)NCCC1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884389218 598089359 /nfs/dbraw/zinc/08/93/59/598089359.db2.gz REVJYJFSOWDKKU-CQSZACIVSA-N 2 0 340.265 1.955 20 0 EDADRP Cc1csc(C)c1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000914059823 695046995 /nfs/dbraw/zinc/04/69/95/695046995.db2.gz RTZNJFRGNAHVIL-UHFFFAOYSA-N 2 0 333.523 1.479 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914268300 695318813 /nfs/dbraw/zinc/31/88/13/695318813.db2.gz WPUGWNLBXDYZBH-BBWFWOEESA-N 2 0 341.521 1.218 20 0 EDADRP CCO[C@H](CNC(=O)NC1CC[NH+](C(C)(C)C)CC1)C[NH+](C)C ZINC000914275021 695329755 /nfs/dbraw/zinc/32/97/55/695329755.db2.gz FWXCXZAEAOVLKT-OAHLLOKOSA-N 2 0 328.501 1.515 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000925425890 696022387 /nfs/dbraw/zinc/02/23/87/696022387.db2.gz KIJRUNHCMZJKTF-QGZVFWFLSA-N 2 0 346.475 1.017 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H]1C ZINC000993575595 696229727 /nfs/dbraw/zinc/22/97/27/696229727.db2.gz OGLZTQAOGPFXAV-GDBMZVCRSA-N 2 0 343.431 1.496 20 0 EDADRP CC[C@H](C(=O)N1CC(NC(=O)c2ccccc2C[NH+](C)C)C1)[NH+](C)C ZINC000993864830 696440736 /nfs/dbraw/zinc/44/07/36/696440736.db2.gz FKWJMWYOLAZQDU-QGZVFWFLSA-N 2 0 346.475 1.029 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccnn1C ZINC000993927398 696446945 /nfs/dbraw/zinc/44/69/45/696446945.db2.gz LZXJFWVFABIOHH-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940008003 700109485 /nfs/dbraw/zinc/10/94/85/700109485.db2.gz DDHNYEOPEQGBPY-OAHLLOKOSA-N 2 0 348.495 1.171 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](C[C@H](C)O)CC2)[NH+](C)C ZINC001040835735 697232838 /nfs/dbraw/zinc/23/28/38/697232838.db2.gz NXNFGLOGKWCOEM-JKSUJKDBSA-N 2 0 325.497 1.268 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001015796092 697399883 /nfs/dbraw/zinc/39/98/83/697399883.db2.gz JCPJPDBZVRVMGL-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC1C[NH+](CCC2=CCCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688491 697519909 /nfs/dbraw/zinc/51/99/09/697519909.db2.gz GJASBWPXGOWDOM-RBUKOAKNSA-N 2 0 347.503 1.788 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000921438372 697613197 /nfs/dbraw/zinc/61/31/97/697613197.db2.gz ZKTFDGYLIJFUPX-BZUAXINKSA-N 2 0 340.537 1.740 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000940115376 700230506 /nfs/dbraw/zinc/23/05/06/700230506.db2.gz JTCNQEFYVACMCU-QGZVFWFLSA-N 2 0 345.491 1.233 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2CN(Cc3ccnn3C)C2)CC1 ZINC001032094040 698584971 /nfs/dbraw/zinc/58/49/71/698584971.db2.gz CGZXVIHLRIYPDR-UHFFFAOYSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001032118706 699000330 /nfs/dbraw/zinc/00/03/30/699000330.db2.gz QCNUEBNQRZNIRX-CQSZACIVSA-N 2 0 325.472 1.905 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)c1cc2c[nH]ccc-2n1 ZINC001031772264 699098247 /nfs/dbraw/zinc/09/82/47/699098247.db2.gz FVWMPFPZQPPIGE-ZDUSSCGKSA-N 2 0 328.416 1.651 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC000941512474 701565744 /nfs/dbraw/zinc/56/57/44/701565744.db2.gz JIURHMZJQDVWAH-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)nn1C ZINC000939064616 699132308 /nfs/dbraw/zinc/13/23/08/699132308.db2.gz ZLVFSQHGDPZDQO-SUMWQHHRSA-N 2 0 333.480 1.007 20 0 EDADRP CC1CC(C[NH+]2CC(N3CCN(C(=O)C[N@@H+]4CC[C@@H](C)C4)CC3)C2)C1 ZINC000941567488 701579937 /nfs/dbraw/zinc/57/99/37/701579937.db2.gz UVXINPAKWLSFFZ-WWDZGPRUSA-N 2 0 348.535 1.203 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939259528 699437495 /nfs/dbraw/zinc/43/74/95/699437495.db2.gz VPOOFTLQZNFTCT-SUMWQHHRSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CC3)C2)n1 ZINC000994942202 699552877 /nfs/dbraw/zinc/55/28/77/699552877.db2.gz ZPUFIXHSGIYAAY-CVEARBPZSA-N 2 0 333.480 1.343 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164919 701604632 /nfs/dbraw/zinc/60/46/32/701604632.db2.gz CCHLXKFJHLCQCH-JKSUJKDBSA-N 2 0 346.475 1.762 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165412 701610697 /nfs/dbraw/zinc/61/06/97/701610697.db2.gz DQJIIKFDAJITGH-HZPDHXFCSA-N 2 0 345.491 1.373 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754082 699903785 /nfs/dbraw/zinc/90/37/85/699903785.db2.gz KMOQVODHTOCSPN-CRAIPNDOSA-N 2 0 347.507 1.805 20 0 EDADRP CCOc1cccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939754131 699904188 /nfs/dbraw/zinc/90/41/88/699904188.db2.gz LECIRXCESKMHGK-NVXWUHKLSA-N 2 0 346.475 1.513 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940142311 700270670 /nfs/dbraw/zinc/27/06/70/700270670.db2.gz OOGLKOHYWCFBEV-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000940148690 700281459 /nfs/dbraw/zinc/28/14/59/700281459.db2.gz CVLVNPSYDRUQIX-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000940149934 700283051 /nfs/dbraw/zinc/28/30/51/700283051.db2.gz SCRHMTHZSRPLGA-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000940162463 700296280 /nfs/dbraw/zinc/29/62/80/700296280.db2.gz CSEHTAUEUBKVNX-AWEZNQCLSA-N 2 0 339.509 1.595 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000940176324 700308612 /nfs/dbraw/zinc/30/86/12/700308612.db2.gz FEIAPHHOZUITGW-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)co1 ZINC000940178848 700312231 /nfs/dbraw/zinc/31/22/31/700312231.db2.gz NCILLSWZPTWBTM-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)o1 ZINC000995166725 701631557 /nfs/dbraw/zinc/63/15/57/701631557.db2.gz HNOWZDFRKZEWAS-JKSUJKDBSA-N 2 0 346.475 1.762 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c(C)o1 ZINC000995166722 701631674 /nfs/dbraw/zinc/63/16/74/701631674.db2.gz HNOWZDFRKZEWAS-HOTGVXAUSA-N 2 0 346.475 1.762 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940328004 700505639 /nfs/dbraw/zinc/50/56/39/700505639.db2.gz CFFVKXZDAFKXBB-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(OC)ccn2)CC1)[NH+](C)C ZINC000940334769 700514854 /nfs/dbraw/zinc/51/48/54/700514854.db2.gz PHPVJXFVEZWJLA-KRWDZBQOSA-N 2 0 348.491 1.901 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169543 701649148 /nfs/dbraw/zinc/64/91/48/701649148.db2.gz UPWRSFLAJALXEO-HOTGVXAUSA-N 2 0 343.475 1.255 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CC1 ZINC000940366189 700547787 /nfs/dbraw/zinc/54/77/87/700547787.db2.gz RITJLASKOUTFMV-UHFFFAOYSA-N 2 0 345.491 1.679 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940461511 700664562 /nfs/dbraw/zinc/66/45/62/700664562.db2.gz FKQVPBZUMAFONO-INIZCTEOSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)nn1C ZINC000995168901 701667327 /nfs/dbraw/zinc/66/73/27/701667327.db2.gz PUHZVYBOQUFTFP-CVEARBPZSA-N 2 0 345.491 1.199 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748284 700873974 /nfs/dbraw/zinc/87/39/74/700873974.db2.gz WXWYODKRERPATK-JKSUJKDBSA-N 2 0 339.524 1.848 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)C1 ZINC000995099642 700884393 /nfs/dbraw/zinc/88/43/93/700884393.db2.gz ABDFTAOYCCABGG-HUUCEWRRSA-N 2 0 334.464 1.781 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852766 700952805 /nfs/dbraw/zinc/95/28/05/700952805.db2.gz DFQKECKNEHCVSH-QGZVFWFLSA-N 2 0 344.459 1.855 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031916628 701007593 /nfs/dbraw/zinc/00/75/93/701007593.db2.gz CLCQNKRQHOJXQK-WMZOPIPTSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032198 701073818 /nfs/dbraw/zinc/07/38/18/701073818.db2.gz GBRMZYKRVFOABR-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)o1 ZINC000941166838 701377467 /nfs/dbraw/zinc/37/74/67/701377467.db2.gz JJYPCDIIOSYFBT-INIZCTEOSA-N 2 0 346.475 1.796 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217392 701403790 /nfs/dbraw/zinc/40/37/90/701403790.db2.gz NPRUYWZPUWJREM-HZPDHXFCSA-N 2 0 333.480 1.052 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000995133417 701418777 /nfs/dbraw/zinc/41/87/77/701418777.db2.gz LXSRKDZMTQANCY-CVEARBPZSA-N 2 0 349.479 1.484 20 0 EDADRP Cc1conc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518387 706602310 /nfs/dbraw/zinc/60/23/10/706602310.db2.gz SHEHTLJHOLRSHR-JZXOWHBKSA-N 2 0 346.475 1.748 20 0 EDADRP CC[C@@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1)OC ZINC000946518375 706602452 /nfs/dbraw/zinc/60/24/52/706602452.db2.gz RQWVHNYAGUWLHR-XWTMOSNGSA-N 2 0 337.508 1.676 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941404341 701518506 /nfs/dbraw/zinc/51/85/06/701518506.db2.gz ALLXIVSLCDMDBP-QGZVFWFLSA-N 2 0 340.487 1.047 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C3C[NH+](CC(C)C)C3)CC2)CC[N@@H+]1C ZINC000941414741 701529096 /nfs/dbraw/zinc/52/90/96/701529096.db2.gz ZGRUEGZZJVHZGH-ZWKOTPCHSA-N 2 0 336.524 1.201 20 0 EDADRP Cc1nc(CN[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174047 706605631 /nfs/dbraw/zinc/60/56/31/706605631.db2.gz NTTPLRIJKZTQEG-DOTOQJQBSA-N 2 0 348.516 1.874 20 0 EDADRP CCc1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130035 701831950 /nfs/dbraw/zinc/83/19/50/701831950.db2.gz FCSWDQUFOLUQCU-UHFFFAOYSA-N 2 0 327.472 1.893 20 0 EDADRP CCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031976095 701945382 /nfs/dbraw/zinc/94/53/82/701945382.db2.gz FAEJDVQJYVTKQY-BEFAXECRSA-N 2 0 329.488 1.995 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191517 706633898 /nfs/dbraw/zinc/63/38/98/706633898.db2.gz YWQYKRAKEXFLLC-OWCLPIDISA-N 2 0 348.495 1.027 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000999191560 706634459 /nfs/dbraw/zinc/63/44/59/706634459.db2.gz ZUKQCWAQSWDBNG-VNQPRFMTSA-N 2 0 334.464 1.712 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](C/C=C/c2ccccc2)C1 ZINC001031979151 702047349 /nfs/dbraw/zinc/04/73/49/702047349.db2.gz ZFYBCYSMMUBBOD-MCFURUIZSA-N 2 0 327.472 1.946 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](C/C=C\c2ccccc2)C1 ZINC001031979154 702047851 /nfs/dbraw/zinc/04/78/51/702047851.db2.gz ZFYBCYSMMUBBOD-VOFFAFHOSA-N 2 0 327.472 1.946 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H](NCc3nccs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995828622 702102386 /nfs/dbraw/zinc/10/23/86/702102386.db2.gz ZWIKLTBEXVEAAE-MGPQQGTHSA-N 2 0 336.505 1.810 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995835416 702112577 /nfs/dbraw/zinc/11/25/77/702112577.db2.gz XCYXERFUDWGTLC-INMHGKMJSA-N 2 0 345.491 1.452 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995878074 702184046 /nfs/dbraw/zinc/18/40/46/702184046.db2.gz DBOPYJFHUDSVDR-JKSUJKDBSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1)C1CC1 ZINC000995900621 702206966 /nfs/dbraw/zinc/20/69/66/702206966.db2.gz YRKDUZCNTHZQPP-DLBZAZTESA-N 2 0 348.466 1.888 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CCC1 ZINC000995919463 702239817 /nfs/dbraw/zinc/23/98/17/702239817.db2.gz RFQPVNDHDAMSAC-KRWDZBQOSA-N 2 0 330.476 1.893 20 0 EDADRP CCc1ccc([C@H](O)C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032185665 702303463 /nfs/dbraw/zinc/30/34/63/702303463.db2.gz AVSCXIKZYWMPRP-RBUKOAKNSA-N 2 0 345.487 1.282 20 0 EDADRP CC1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000996004559 702385949 /nfs/dbraw/zinc/38/59/49/702385949.db2.gz CULGOLGTYATMPW-WMLDXEAASA-N 2 0 342.443 1.811 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC000944166902 702404019 /nfs/dbraw/zinc/40/40/19/702404019.db2.gz ASXMSVOLUYBOFT-CZUORRHYSA-N 2 0 332.448 1.405 20 0 EDADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942056483 702504480 /nfs/dbraw/zinc/50/44/80/702504480.db2.gz HWZNJIRTTCPDGZ-HOTGVXAUSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@H]1C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058123 702508891 /nfs/dbraw/zinc/50/88/91/702508891.db2.gz UBHWTYBDRNKRST-RDJZCZTQSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996221948 702632751 /nfs/dbraw/zinc/63/27/51/702632751.db2.gz LJEHZTQDCNDIEI-KRWDZBQOSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995207344 702664363 /nfs/dbraw/zinc/66/43/63/702664363.db2.gz DOVNOOYIRZWHNF-JKSUJKDBSA-N 2 0 333.480 1.373 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)cn1 ZINC000996299652 702690108 /nfs/dbraw/zinc/69/01/08/702690108.db2.gz BVQPGNBRHSYBES-RDJZCZTQSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)C1 ZINC000996300434 702691527 /nfs/dbraw/zinc/69/15/27/702691527.db2.gz MFDVIFXRKBQQBU-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCn2nc(C)cc2C)C(C)(C)C1)[NH+](C)C ZINC000996313601 702702117 /nfs/dbraw/zinc/70/21/17/702702117.db2.gz FKZPJQRLTBWEIC-IRXDYDNUSA-N 2 0 349.523 1.667 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C ZINC000996355815 702733483 /nfs/dbraw/zinc/73/34/83/702733483.db2.gz NVBUGFJGOGWPER-HNNXBMFYSA-N 2 0 328.420 1.077 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C ZINC000996356225 702733798 /nfs/dbraw/zinc/73/37/98/702733798.db2.gz QTNLBKWQEVVUNH-HNNXBMFYSA-N 2 0 343.431 1.383 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996463430 702790917 /nfs/dbraw/zinc/79/09/17/702790917.db2.gz GPSRDJGJOLQFGN-CQSZACIVSA-N 2 0 337.493 1.492 20 0 EDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1 ZINC000996526807 702843265 /nfs/dbraw/zinc/84/32/65/702843265.db2.gz UGPMPVCGRWQOMC-JKSUJKDBSA-N 2 0 349.519 1.724 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996605025 702914476 /nfs/dbraw/zinc/91/44/76/702914476.db2.gz ACOGFWIZMZSKNE-CRAIPNDOSA-N 2 0 347.507 1.366 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996618244 702924915 /nfs/dbraw/zinc/92/49/15/702924915.db2.gz WWIMILIWFIOTQX-GOEBONIOSA-N 2 0 348.491 1.824 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000996674256 702969328 /nfs/dbraw/zinc/96/93/28/702969328.db2.gz BFWYVGNGFLOMES-SUMWQHHRSA-N 2 0 331.464 1.458 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)C1CC1 ZINC000996674848 702970080 /nfs/dbraw/zinc/97/00/80/702970080.db2.gz CYSWKTJCACZIPL-SFHVURJKSA-N 2 0 346.475 1.973 20 0 EDADRP CCc1noc(CNC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996676264 702975240 /nfs/dbraw/zinc/97/52/40/702975240.db2.gz GVLOASHKLUINES-MRXNPFEDSA-N 2 0 335.452 1.053 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)c(C)o1 ZINC000996679940 702978493 /nfs/dbraw/zinc/97/84/93/702978493.db2.gz RNJAKQDWSGAUEJ-KRWDZBQOSA-N 2 0 334.464 1.712 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCc1ccccc1 ZINC001032315826 702980359 /nfs/dbraw/zinc/98/03/59/702980359.db2.gz XQXHTHPJEAZMBK-FHWLQOOXSA-N 2 0 327.472 1.999 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000996688260 702985501 /nfs/dbraw/zinc/98/55/01/702985501.db2.gz HKWHXPYPOYJTPS-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000996715420 703009984 /nfs/dbraw/zinc/00/99/84/703009984.db2.gz FYKLNDGHMWTGKI-RDJZCZTQSA-N 2 0 347.463 1.476 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996717726 703011303 /nfs/dbraw/zinc/01/13/03/703011303.db2.gz CCIFJKSWHYWDKZ-INIZCTEOSA-N 2 0 334.464 1.856 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996723168 703018015 /nfs/dbraw/zinc/01/80/15/703018015.db2.gz UOMQDKYDWWBZFE-UHFFFAOYSA-N 2 0 345.491 1.377 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996723351 703018366 /nfs/dbraw/zinc/01/83/66/703018366.db2.gz LXJPYQMSRORUPP-SWLSCSKDSA-N 2 0 335.452 1.504 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1csnn1 ZINC000996768678 703060293 /nfs/dbraw/zinc/06/02/93/703060293.db2.gz DMAMLALFYIXYOU-CYBMUJFWSA-N 2 0 349.504 1.808 20 0 EDADRP CCN1CC[NH+](C2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000996796419 703080910 /nfs/dbraw/zinc/08/09/10/703080910.db2.gz ZPKXGDBYLSVEAI-UHFFFAOYSA-N 2 0 334.508 1.147 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996799787 703085671 /nfs/dbraw/zinc/08/56/71/703085671.db2.gz YCJNTVWPQGXQTK-UHFFFAOYSA-N 2 0 342.428 1.580 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC000996839390 703126595 /nfs/dbraw/zinc/12/65/95/703126595.db2.gz ANJAOOMACQLXIA-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC000996924732 703198534 /nfs/dbraw/zinc/19/85/34/703198534.db2.gz WXSBEHHPSSCBTH-HOTGVXAUSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nc1 ZINC000996958832 703229449 /nfs/dbraw/zinc/22/94/49/703229449.db2.gz VRMNYUQFSMNTJP-QGZVFWFLSA-N 2 0 333.480 1.452 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000996976115 703241618 /nfs/dbraw/zinc/24/16/18/703241618.db2.gz DCHRZAPHWWFGOU-QGZVFWFLSA-N 2 0 336.480 1.904 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996996938 703260402 /nfs/dbraw/zinc/26/04/02/703260402.db2.gz CDDMRDOULBCWDX-OAHLLOKOSA-N 2 0 333.480 1.028 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)s2)CC1)[NH+](C)C ZINC000997011411 703271745 /nfs/dbraw/zinc/27/17/45/703271745.db2.gz ZBUSWCAIMZSQRI-RISCZKNCSA-N 2 0 339.509 1.828 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC000997056192 703302004 /nfs/dbraw/zinc/30/20/04/703302004.db2.gz BOXPBKALNSLEQA-ZDUSSCGKSA-N 2 0 348.495 1.487 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCCO2)CC1 ZINC001032699974 706737188 /nfs/dbraw/zinc/73/71/88/706737188.db2.gz DALUTBNUJYTPMV-FHWLQOOXSA-N 2 0 349.519 1.963 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@@H]2CCOC2)CC1 ZINC001032699868 706737303 /nfs/dbraw/zinc/73/73/03/706737303.db2.gz ATTTXQCCXUMERQ-QYZOEREBSA-N 2 0 349.519 1.820 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997086604 703332193 /nfs/dbraw/zinc/33/21/93/703332193.db2.gz AHFHALAXFDUNIY-AEFFLSMTSA-N 2 0 345.491 1.518 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997131261 703390551 /nfs/dbraw/zinc/39/05/51/703390551.db2.gz DYRWSLPNAULKTF-SJLPKXTDSA-N 2 0 339.524 1.827 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)C(N)=O)CC1 ZINC000997162489 703450593 /nfs/dbraw/zinc/45/05/93/703450593.db2.gz LGIHPQQKHWMPQP-GDBMZVCRSA-N 2 0 338.496 1.095 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185863 703475067 /nfs/dbraw/zinc/47/50/67/703475067.db2.gz SXTJGNMCBZJSJF-ZIAGYGMSSA-N 2 0 348.495 1.351 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)C1 ZINC000997185853 703475098 /nfs/dbraw/zinc/47/50/98/703475098.db2.gz SVJDXMRISBNFIA-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997188035 703477664 /nfs/dbraw/zinc/47/76/64/703477664.db2.gz YIBGXYCKCUGTOJ-HNNXBMFYSA-N 2 0 345.491 1.252 20 0 EDADRP C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000997243381 703529862 /nfs/dbraw/zinc/52/98/62/703529862.db2.gz IBXBZCGIJIWVQX-MRXNPFEDSA-N 2 0 347.503 1.613 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H](O)c3ccc(F)cc3)CC2)C1 ZINC000997297943 703556231 /nfs/dbraw/zinc/55/62/31/703556231.db2.gz HPJGCLWNTJFNJG-YJBOKZPZSA-N 2 0 349.450 1.391 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ccc3c(c2)COC3)CC1 ZINC000997306741 703565216 /nfs/dbraw/zinc/56/52/16/703565216.db2.gz KJSRVCLYZZWBNV-UHFFFAOYSA-N 2 0 343.471 1.893 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997366832 703600864 /nfs/dbraw/zinc/60/08/64/703600864.db2.gz NHXUZNZVPKKHGA-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000997367126 703601235 /nfs/dbraw/zinc/60/12/35/703601235.db2.gz UVDWXAXULSXEIA-CJNGLKHVSA-N 2 0 349.479 1.894 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000997419674 703669948 /nfs/dbraw/zinc/66/99/48/703669948.db2.gz BTHRWMJXWFNIGQ-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCCO1)C12CCC[NH+](CCC1)C2 ZINC001032471988 703687426 /nfs/dbraw/zinc/68/74/26/703687426.db2.gz IRTGUVGBOVTPQX-BZSNNMDCSA-N 2 0 347.503 1.717 20 0 EDADRP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488361 703760989 /nfs/dbraw/zinc/76/09/89/703760989.db2.gz AONZJDRCWFNGCL-RCBQFDQVSA-N 2 0 328.416 1.576 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997611781 703911928 /nfs/dbraw/zinc/91/19/28/703911928.db2.gz HIGFFZDPXVXGBL-YJBOKZPZSA-N 2 0 345.491 1.768 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC000997615844 703914907 /nfs/dbraw/zinc/91/49/07/703914907.db2.gz XBUCFYWLBUPNTF-PBHICJAKSA-N 2 0 331.464 1.460 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC000999294605 706792089 /nfs/dbraw/zinc/79/20/89/706792089.db2.gz VUWWMMIWSNZPBP-WSTOCAFGSA-N 2 0 345.491 1.594 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308068 706808648 /nfs/dbraw/zinc/80/86/48/706808648.db2.gz OUHDNVDPAMXYPT-ROUUACIJSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999302942 706806509 /nfs/dbraw/zinc/80/65/09/706806509.db2.gz GTGXVKHNAKLLQW-DLBZAZTESA-N 2 0 333.480 1.338 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999308214 706809123 /nfs/dbraw/zinc/80/91/23/706809123.db2.gz RBBRIILSLSNESO-MSOLQXFVSA-N 2 0 347.507 1.858 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2conc2C)C1 ZINC000999309006 706810048 /nfs/dbraw/zinc/81/00/48/706810048.db2.gz TYGZASYYTRIUPS-SJORKVTESA-N 2 0 334.464 1.938 20 0 EDADRP CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001004440633 704423340 /nfs/dbraw/zinc/42/33/40/704423340.db2.gz DTNZZFRGTXDIOK-SFHVURJKSA-N 2 0 347.507 1.781 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCO)CC2)CCC1 ZINC001004459394 704453008 /nfs/dbraw/zinc/45/30/08/704453008.db2.gz UGEIJEHHQKDNEL-KRWDZBQOSA-N 2 0 337.508 1.556 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000997782589 704687295 /nfs/dbraw/zinc/68/72/95/704687295.db2.gz XNDHVNHPPXKTRR-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)CC[N@@H+]1C ZINC000997786377 704692218 /nfs/dbraw/zinc/69/22/18/704692218.db2.gz PTIWFCCGVWYNIM-GDBMZVCRSA-N 2 0 331.464 1.145 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1)C1CCC1 ZINC000997831486 704749704 /nfs/dbraw/zinc/74/97/04/704749704.db2.gz TXOBAEKZBJXKOT-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CCC1 ZINC000997832124 704750251 /nfs/dbraw/zinc/75/02/51/704750251.db2.gz ZPXBEJCJVKHSBW-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccnc(OC)c2)CC1)[NH+](C)C ZINC000997856289 704764767 /nfs/dbraw/zinc/76/47/67/704764767.db2.gz SUBIWPVIFSEDMG-QGZVFWFLSA-N 2 0 348.491 1.759 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997864559 704771477 /nfs/dbraw/zinc/77/14/77/704771477.db2.gz KNQQSDMACKHAGB-INIZCTEOSA-N 2 0 336.505 1.956 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000998047670 705244492 /nfs/dbraw/zinc/24/44/92/705244492.db2.gz SCYBNXHWTUMZBA-QZTJIDSGSA-N 2 0 339.524 1.970 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000998080954 705300524 /nfs/dbraw/zinc/30/05/24/705300524.db2.gz GJPVQOOHGIHKHL-DYVFJYSZSA-N 2 0 334.464 1.509 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998081208 705301152 /nfs/dbraw/zinc/30/11/52/705301152.db2.gz GVHIKNBLLQJNRJ-OAHLLOKOSA-N 2 0 348.466 1.891 20 0 EDADRP CCn1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC000998082493 705309465 /nfs/dbraw/zinc/30/94/65/705309465.db2.gz PWKZOVLEKPSAMJ-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)Cc3cnc[nH]3)CC2)oc1C ZINC000998116451 705371418 /nfs/dbraw/zinc/37/14/18/705371418.db2.gz SQAMTWLKVJWFNH-UHFFFAOYSA-N 2 0 331.420 1.585 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2ccccc2)CC1 ZINC001032603067 705421980 /nfs/dbraw/zinc/42/19/80/705421980.db2.gz NFMBBOAUQQQNFL-OALUTQOASA-N 2 0 327.472 1.856 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000998216767 705539600 /nfs/dbraw/zinc/53/96/00/705539600.db2.gz KPSKZGQBZUPUPL-DOTOQJQBSA-N 2 0 345.491 1.708 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)C1 ZINC000998218010 705540965 /nfs/dbraw/zinc/54/09/65/705540965.db2.gz VVRCSEOLVMMXNF-HNNXBMFYSA-N 2 0 336.505 1.813 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000998263978 705633959 /nfs/dbraw/zinc/63/39/59/705633959.db2.gz DVWMVGIEKXTTHC-INIZCTEOSA-N 2 0 331.464 1.065 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000998266795 705635720 /nfs/dbraw/zinc/63/57/20/705635720.db2.gz REKQCTGDMIDJLI-OAHLLOKOSA-N 2 0 336.505 1.731 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998266111 705637840 /nfs/dbraw/zinc/63/78/40/705637840.db2.gz OTHGCCCAMHGBHQ-WFASDCNBSA-N 2 0 335.452 1.219 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998273506 705653712 /nfs/dbraw/zinc/65/37/12/705653712.db2.gz QWBKAKDYOQZKFU-OAHLLOKOSA-N 2 0 334.439 1.501 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000998288547 705688590 /nfs/dbraw/zinc/68/85/90/705688590.db2.gz VZRVYBJPKDIGQK-GASCZTMLSA-N 2 0 348.495 1.016 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)sn1 ZINC000998553386 705990973 /nfs/dbraw/zinc/99/09/73/705990973.db2.gz WMYWIOFRSSPAHI-YIZWMMSDSA-N 2 0 338.477 1.325 20 0 EDADRP Cc1ccccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000998582774 706019012 /nfs/dbraw/zinc/01/90/12/706019012.db2.gz KPPJPMGGJKNACT-ABHNRTSZSA-N 2 0 331.460 1.405 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998722083 706153551 /nfs/dbraw/zinc/15/35/51/706153551.db2.gz ODRONNFDSYLMEO-GJZGRUSLSA-N 2 0 336.867 1.910 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2ccccn2)C1 ZINC000998781332 706222471 /nfs/dbraw/zinc/22/24/71/706222471.db2.gz VXAMJCPNDGFDGW-DAWZGUTISA-N 2 0 328.460 1.502 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998781990 706222927 /nfs/dbraw/zinc/22/29/27/706222927.db2.gz ZUPPDXZGDGSKFB-ABHNRTSZSA-N 2 0 345.491 1.149 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998796486 706243435 /nfs/dbraw/zinc/24/34/35/706243435.db2.gz OQYYUOCKFYDBLI-TWRYWWQQSA-N 2 0 334.464 1.656 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517912 706555159 /nfs/dbraw/zinc/55/51/59/706555159.db2.gz MBFOERVUPPTXPH-FJIDUMEYSA-N 2 0 335.492 1.288 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999340475 706851887 /nfs/dbraw/zinc/85/18/87/706851887.db2.gz YIXYUKYDTLAZBB-UHFFFAOYSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999342602 706854700 /nfs/dbraw/zinc/85/47/00/706854700.db2.gz KTVJYCCSSNJLFY-ODIFPOPNSA-N 2 0 345.491 1.767 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343643 706855258 /nfs/dbraw/zinc/85/52/58/706855258.db2.gz QNUOMWRWLUDEPO-UHFFFAOYSA-N 2 0 337.493 1.267 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)s1 ZINC000999344960 706856777 /nfs/dbraw/zinc/85/67/77/706856777.db2.gz YEQOKFUVJGTWPH-UHFFFAOYSA-N 2 0 336.505 1.872 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC000999347836 706859852 /nfs/dbraw/zinc/85/98/52/706859852.db2.gz LMBUCHNSVPOOBS-CGZBRXJRSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000999350025 706862524 /nfs/dbraw/zinc/86/25/24/706862524.db2.gz VWPVOXXFPPGKDJ-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999374982 706869273 /nfs/dbraw/zinc/86/92/73/706869273.db2.gz SQNXHWMGNZQHJV-HIFRSBDPSA-N 2 0 337.493 1.267 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999366793 706880416 /nfs/dbraw/zinc/88/04/16/706880416.db2.gz CKIOTBFPKNLFFX-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999398075 706892203 /nfs/dbraw/zinc/89/22/03/706892203.db2.gz BTRWDSRIMCLXLB-IAGOWNOFSA-N 2 0 334.464 1.938 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999506450 707004117 /nfs/dbraw/zinc/00/41/17/707004117.db2.gz AUOOYACVRYJXIL-GOEBONIOSA-N 2 0 336.505 1.751 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999506854 707004649 /nfs/dbraw/zinc/00/46/49/707004649.db2.gz SQYCCWSAUBWICB-OFLPRAFFSA-N 2 0 348.495 1.120 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999512004 707010543 /nfs/dbraw/zinc/01/05/43/707010543.db2.gz OOSAQYCBPQAFMO-SJORKVTESA-N 2 0 346.475 1.655 20 0 EDADRP COc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999514324 707013303 /nfs/dbraw/zinc/01/33/03/707013303.db2.gz WAGXQMYZHYSKNG-HOCLYGCPSA-N 2 0 347.463 1.050 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000999515054 707014292 /nfs/dbraw/zinc/01/42/92/707014292.db2.gz WWEZZSLHBIOHHL-JKSUJKDBSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1nonc1CN[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571866 707077663 /nfs/dbraw/zinc/07/76/63/707077663.db2.gz AYGIKJMGBJMPPT-WBVHZDCISA-N 2 0 349.479 1.579 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572286 707078400 /nfs/dbraw/zinc/07/84/00/707078400.db2.gz CHENYJRFSFCZRU-ROUUACIJSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999680887 707165585 /nfs/dbraw/zinc/16/55/85/707165585.db2.gz BTPNLHATYNBNNM-QQFBHYJXSA-N 2 0 334.464 1.712 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999699207 707227442 /nfs/dbraw/zinc/22/74/42/707227442.db2.gz VRVJZWMYOZCJGF-UYSNPLJNSA-N 2 0 335.492 1.476 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1)[NH+](C)C ZINC000946784184 707281419 /nfs/dbraw/zinc/28/14/19/707281419.db2.gz CVGRBOTVNWNGFF-UXLLHSPISA-N 2 0 334.464 1.685 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC001033264857 707286546 /nfs/dbraw/zinc/28/65/46/707286546.db2.gz DSFXHFOUDIZSNS-MRXNPFEDSA-N 2 0 347.488 1.732 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC000999747411 707347792 /nfs/dbraw/zinc/34/77/92/707347792.db2.gz NSLOQYOBCLDIBE-UHFFFAOYSA-N 2 0 343.431 1.443 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795214 707366987 /nfs/dbraw/zinc/36/69/87/707366987.db2.gz YLXWBYGRQCYMIB-AEFFLSMTSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ccccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033184936 707367052 /nfs/dbraw/zinc/36/70/52/707367052.db2.gz MICNRHOLYWFSJY-NZSAHSFTSA-N 2 0 345.487 1.747 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1CC[NH+](C)CC1)c1cccs1 ZINC000929336405 707484919 /nfs/dbraw/zinc/48/49/19/707484919.db2.gz PPXNOLVVENPXLO-CQSZACIVSA-N 2 0 325.478 1.578 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033320783 707516683 /nfs/dbraw/zinc/51/66/83/707516683.db2.gz WXVLLDZMSXDHHN-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004879947 707553596 /nfs/dbraw/zinc/55/35/96/707553596.db2.gz TWWYXHKXIKRNRT-MAUKXSAKSA-N 2 0 347.507 1.764 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964240 707629893 /nfs/dbraw/zinc/62/98/93/707629893.db2.gz WWXIGQLPDPMTHX-IAGOWNOFSA-N 2 0 346.479 1.035 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032731715 707734045 /nfs/dbraw/zinc/73/40/45/707734045.db2.gz PTXABDSKLIOLJA-BZSNNMDCSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033389633 707760661 /nfs/dbraw/zinc/76/06/61/707760661.db2.gz DXIDMTGHHSZFNF-INIZCTEOSA-N 2 0 349.479 1.185 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033389636 707761096 /nfs/dbraw/zinc/76/10/96/707761096.db2.gz DZAUGCLGUPAYBC-SFHVURJKSA-N 2 0 347.507 1.320 20 0 EDADRP Cc1conc1CN[C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983956 707829948 /nfs/dbraw/zinc/82/99/48/707829948.db2.gz SLJPOUNVWQCCAS-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP CCn1nncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004988136 707845076 /nfs/dbraw/zinc/84/50/76/707845076.db2.gz AHNSNAMMLRZASD-NVXWUHKLSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H](c1cnccn1)N1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475309 707964907 /nfs/dbraw/zinc/96/49/07/707964907.db2.gz OKIAUGPJFBSVDH-DOTOQJQBSA-N 2 0 345.491 1.802 20 0 EDADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033490516 707985044 /nfs/dbraw/zinc/98/50/44/707985044.db2.gz SLUMYLPDMBHXJP-KRWDZBQOSA-N 2 0 333.480 1.391 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCOc2ccccc2)CC1 ZINC001000518358 708039130 /nfs/dbraw/zinc/03/91/30/708039130.db2.gz PKMAPKKMAVXZQC-IBGZPJMESA-N 2 0 343.471 1.908 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)CC1 ZINC001000530704 708045202 /nfs/dbraw/zinc/04/52/02/708045202.db2.gz HHBQADYNVBPOMH-SFHVURJKSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H]1C[C@H](C[N@H+]2CC=C(CNC(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC001001117034 708101514 /nfs/dbraw/zinc/10/15/14/708101514.db2.gz SUZXKEIOMVRXOA-SJLPKXTDSA-N 2 0 349.519 1.892 20 0 EDADRP Cc1ncccc1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001151553 708108347 /nfs/dbraw/zinc/10/83/47/708108347.db2.gz MIAYCCAHVVPJRI-BEFAXECRSA-N 2 0 342.487 1.836 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005179322 708122172 /nfs/dbraw/zinc/12/21/72/708122172.db2.gz NAIHURZVBNKAFD-GOSISDBHSA-N 2 0 330.476 1.907 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001005183638 708134099 /nfs/dbraw/zinc/13/40/99/708134099.db2.gz JKYMYSHFDNKZKI-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2=CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001001448651 708152199 /nfs/dbraw/zinc/15/21/99/708152199.db2.gz IRJWXSKWPYMJRW-HNNXBMFYSA-N 2 0 327.419 1.732 20 0 EDADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033575351 708249289 /nfs/dbraw/zinc/24/92/89/708249289.db2.gz QVOKJKRTFHTQII-PKOBYXMFSA-N 2 0 349.519 1.678 20 0 EDADRP CC[C@@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757556 708281215 /nfs/dbraw/zinc/28/12/15/708281215.db2.gz VLFBQAWVISHMJJ-AEFFLSMTSA-N 2 0 339.524 1.970 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)s1 ZINC001033659869 708471562 /nfs/dbraw/zinc/47/15/62/708471562.db2.gz ZJSBBAJDKPGHFA-OAHLLOKOSA-N 2 0 336.505 1.888 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001033660561 708473254 /nfs/dbraw/zinc/47/32/54/708473254.db2.gz IGICCEMSTMAWQC-NVXWUHKLSA-N 2 0 349.450 1.689 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001002051616 708583533 /nfs/dbraw/zinc/58/35/33/708583533.db2.gz ACLWBJNUNVDARL-QGZVFWFLSA-N 2 0 349.519 1.726 20 0 EDADRP CN(C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CCN(Cc2ccon2)CC1 ZINC001005392120 708865765 /nfs/dbraw/zinc/86/57/65/708865765.db2.gz WUMQQEYXJYQCDL-CRAIPNDOSA-N 2 0 346.475 1.972 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001005415078 708933292 /nfs/dbraw/zinc/93/32/92/708933292.db2.gz JSGWNWLNYNCUTK-ZWKOTPCHSA-N 2 0 347.507 1.573 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033932628 709090489 /nfs/dbraw/zinc/09/04/89/709090489.db2.gz QKRVTQPKSAYJEF-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005474222 709110409 /nfs/dbraw/zinc/11/04/09/709110409.db2.gz AKXMDBGIAKEDAX-WMZOPIPTSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001034039401 709272137 /nfs/dbraw/zinc/27/21/37/709272137.db2.gz IISCJJJYAQGKHX-QZTJIDSGSA-N 2 0 347.507 1.374 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001034040914 709288695 /nfs/dbraw/zinc/28/86/95/709288695.db2.gz ZPYQQBZRTUEUHP-CVEARBPZSA-N 2 0 334.464 1.666 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139158 709389185 /nfs/dbraw/zinc/38/91/85/709389185.db2.gz RQZZZJYOAXRHHA-SJORKVTESA-N 2 0 334.439 1.786 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002808671 709411165 /nfs/dbraw/zinc/41/11/65/709411165.db2.gz FBIFQHRRTALRDQ-IEBWSBKVSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CCC[C@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002830739 709441977 /nfs/dbraw/zinc/44/19/77/709441977.db2.gz CBAIHHXCWCVJFH-LPHOPBHVSA-N 2 0 349.519 1.726 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C1CCC1 ZINC001002835028 709450650 /nfs/dbraw/zinc/45/06/50/709450650.db2.gz WOHVAVXBFPMNPX-OALUTQOASA-N 2 0 349.519 1.724 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034210798 709561482 /nfs/dbraw/zinc/56/14/82/709561482.db2.gz JRCOXHNKCLJQKH-RBUKOAKNSA-N 2 0 349.519 1.726 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239064 709620516 /nfs/dbraw/zinc/62/05/16/709620516.db2.gz QYOYTNBVJPYTMP-IRXDYDNUSA-N 2 0 325.497 1.581 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257524 709642153 /nfs/dbraw/zinc/64/21/53/709642153.db2.gz KIARMJLJOOGJJI-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCCOC3)C2)CC1 ZINC001034386858 709915698 /nfs/dbraw/zinc/91/56/98/709915698.db2.gz UWGQSLRBXIFJPR-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCc2ccnn2C)C1 ZINC001034395546 709929176 /nfs/dbraw/zinc/92/91/76/709929176.db2.gz AAZFLMZULYGYAA-IRXDYDNUSA-N 2 0 347.507 1.418 20 0 EDADRP Cn1nncc1CN1CCCC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034394938 709931795 /nfs/dbraw/zinc/93/17/95/709931795.db2.gz SGDCPVYKGPBWQD-HNNXBMFYSA-N 2 0 348.495 1.018 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490830 710110272 /nfs/dbraw/zinc/11/02/72/710110272.db2.gz OCPOSIXPOAZOMI-WMZOPIPTSA-N 2 0 347.507 1.541 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491102 710110956 /nfs/dbraw/zinc/11/09/56/710110956.db2.gz QKYYGWODKGLKMQ-WMZOPIPTSA-N 2 0 330.476 1.894 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034491364 710111546 /nfs/dbraw/zinc/11/15/46/710111546.db2.gz TVHDYSGOIOGUKG-DLBZAZTESA-N 2 0 333.480 1.196 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229436 710150497 /nfs/dbraw/zinc/15/04/97/710150497.db2.gz GLMXJYNOOYICJN-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)C12CCC[NH+]1CCC2 ZINC001003242343 710165069 /nfs/dbraw/zinc/16/50/69/710165069.db2.gz CWVFILPATFOXLP-QGZVFWFLSA-N 2 0 335.492 1.765 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526196 710177892 /nfs/dbraw/zinc/17/78/92/710177892.db2.gz VPLUYKKCEZIZBH-JKSUJKDBSA-N 2 0 334.464 1.714 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005567747 710283181 /nfs/dbraw/zinc/28/31/81/710283181.db2.gz DENRSOYGDIIBDJ-MRXNPFEDSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001003491730 710374246 /nfs/dbraw/zinc/37/42/46/710374246.db2.gz HBXKNOSHMRPEDW-ULQDDVLXSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCc2cc(N(C)C)cc[nH+]2)CCCO1 ZINC000922201886 710417685 /nfs/dbraw/zinc/41/76/85/710417685.db2.gz MRWJJYNPFIZFML-OAHLLOKOSA-N 2 0 349.479 1.448 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001003626720 710448418 /nfs/dbraw/zinc/44/84/18/710448418.db2.gz VSOOCKRRQYZQLQ-CQSZACIVSA-N 2 0 334.464 1.659 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1)OC ZINC001003629654 710459240 /nfs/dbraw/zinc/45/92/40/710459240.db2.gz DCMKGGKZAURNQY-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630023 710459730 /nfs/dbraw/zinc/45/97/30/710459730.db2.gz HXYREEQDTJEPIN-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001003631753 710460659 /nfs/dbraw/zinc/46/06/59/710460659.db2.gz UVRDIESWNNYNCI-HNNXBMFYSA-N 2 0 333.476 1.366 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003632779 710461408 /nfs/dbraw/zinc/46/14/08/710461408.db2.gz CISPRJDEQYDCSB-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034672636 710605898 /nfs/dbraw/zinc/60/58/98/710605898.db2.gz PYLLWJIHUTXYOJ-JFIYKMOQSA-N 2 0 347.507 1.464 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034673473 710611327 /nfs/dbraw/zinc/61/13/27/710611327.db2.gz BEZHWQPDUHPLOV-ZOBUZTSGSA-N 2 0 333.480 1.421 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001003840846 710651592 /nfs/dbraw/zinc/65/15/92/710651592.db2.gz HAAKHRGSBNUJCE-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](CC[C@H]3CCCO3)CC2)CC1 ZINC001003842411 710677860 /nfs/dbraw/zinc/67/78/60/710677860.db2.gz XTHDJEHWNKYMPQ-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)c2c1OC(F)(F)O2 ZINC000922310055 710862438 /nfs/dbraw/zinc/86/24/38/710862438.db2.gz ZBZRIOVLDAYWAW-CHWSQXEVSA-N 2 0 344.358 1.309 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005661362 710872175 /nfs/dbraw/zinc/87/21/75/710872175.db2.gz RFDMLTOYBWIONT-QGZVFWFLSA-N 2 0 349.519 1.964 20 0 EDADRP Cc1nc([C@H](C)N[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC001034722450 710889666 /nfs/dbraw/zinc/88/96/66/710889666.db2.gz ZZXRLRBDPGSSMW-RCBQFDQVSA-N 2 0 349.479 1.798 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034724843 710896604 /nfs/dbraw/zinc/89/66/04/710896604.db2.gz VCFLLJSIXPMJGI-WKILWMFISA-N 2 0 333.480 1.279 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001034733813 710914551 /nfs/dbraw/zinc/91/45/51/710914551.db2.gz DKMGOVDFFRCAGU-JYJNAYRXSA-N 2 0 348.495 1.157 20 0 EDADRP Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001034734961 710918019 /nfs/dbraw/zinc/91/80/19/710918019.db2.gz CRJORSVAJSMKCS-SHTZXODSSA-N 2 0 348.495 1.064 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034735709 710922023 /nfs/dbraw/zinc/92/20/23/710922023.db2.gz MKZOMXUMPBROPK-JYJNAYRXSA-N 2 0 333.480 1.421 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738871 710932153 /nfs/dbraw/zinc/93/21/53/710932153.db2.gz WXUGHYVBMCWRLF-CYUUQNCZSA-N 2 0 335.452 1.093 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)cn1 ZINC001034755101 711003520 /nfs/dbraw/zinc/00/35/20/711003520.db2.gz VJSYIPUDHWLLLQ-QAQDUYKDSA-N 2 0 333.480 1.485 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032969393 711048196 /nfs/dbraw/zinc/04/81/96/711048196.db2.gz WKIHRVBEJKZZDT-RTBURBONSA-N 2 0 345.487 1.960 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034775732 711050230 /nfs/dbraw/zinc/05/02/30/711050230.db2.gz HLJNNZPBNWEORO-JKQORVJESA-N 2 0 349.479 1.707 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034779132 711083426 /nfs/dbraw/zinc/08/34/26/711083426.db2.gz RBZYBDCAUPXXDO-JYJNAYRXSA-N 2 0 333.480 1.279 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034779435 711085865 /nfs/dbraw/zinc/08/58/65/711085865.db2.gz UZDMUEFIECFUBS-BZUAXINKSA-N 2 0 333.480 1.279 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034796050 711115786 /nfs/dbraw/zinc/11/57/86/711115786.db2.gz COAMXFAVAJBIFT-KBUPBQIOSA-N 2 0 335.452 1.459 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001034792447 711119478 /nfs/dbraw/zinc/11/94/78/711119478.db2.gz JRKQWUPOKGIRSP-LUKYLMHMSA-N 2 0 337.508 1.770 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC001034793372 711123628 /nfs/dbraw/zinc/12/36/28/711123628.db2.gz YMSSHORXTOBDTJ-JYJNAYRXSA-N 2 0 345.491 1.298 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794063 711126372 /nfs/dbraw/zinc/12/63/72/711126372.db2.gz XVVDNDBWMJBHPQ-WKILWMFISA-N 2 0 334.464 1.904 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCCC3)C2 ZINC000922387688 711428174 /nfs/dbraw/zinc/42/81/74/711428174.db2.gz AELDRMTWYHDSHI-AFYVEPGGSA-N 2 0 346.519 1.868 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001034940715 711444330 /nfs/dbraw/zinc/44/43/30/711444330.db2.gz HNEYWJQZZXKEBB-HZPDHXFCSA-N 2 0 348.516 1.874 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nccs2)CC[N@@H+]1C ZINC001034940975 711444999 /nfs/dbraw/zinc/44/49/99/711444999.db2.gz JHZNDOINLUZTKQ-QLFBSQMISA-N 2 0 336.505 1.954 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC001004147920 711560394 /nfs/dbraw/zinc/56/03/94/711560394.db2.gz OARGJBJBZLZYKD-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP COc1cc(CN2CCC(NC(=O)C[NH+]3CCCC3)CC2)sn1 ZINC001004148627 711561863 /nfs/dbraw/zinc/56/18/63/711561863.db2.gz UKUFMQQYNXRJKL-UHFFFAOYSA-N 2 0 338.477 1.328 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000557670594 306232812 /nfs/dbraw/zinc/23/28/12/306232812.db2.gz XFYCRBSYTUWQDO-AEFFLSMTSA-N 2 0 330.476 1.704 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000053299161 214176646 /nfs/dbraw/zinc/17/66/46/214176646.db2.gz BQISBKIBEKIXBO-UHFFFAOYSA-N 2 0 340.265 1.703 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000373861056 290631675 /nfs/dbraw/zinc/63/16/75/290631675.db2.gz XAIPTFOWLVYMFO-PNYFIKQUSA-N 2 0 348.535 1.393 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H](CO)C1)c1ccccc1 ZINC000363827195 282171214 /nfs/dbraw/zinc/17/12/14/282171214.db2.gz RUMSVCFQOOQBPX-AEFFLSMTSA-N 2 0 333.476 1.500 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1(C)C ZINC000441345174 539333931 /nfs/dbraw/zinc/33/39/31/539333931.db2.gz KCIUSJATDFYOAW-UHFFFAOYSA-N 2 0 333.402 1.561 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168097452 529979935 /nfs/dbraw/zinc/97/99/35/529979935.db2.gz WDUZDQXTORUDPY-QAPCUYQASA-N 2 0 333.476 1.404 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000436125043 539569608 /nfs/dbraw/zinc/56/96/08/539569608.db2.gz PABRBHMKIUODEE-HUUCEWRRSA-N 2 0 328.501 1.203 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561157096 306283215 /nfs/dbraw/zinc/28/32/15/306283215.db2.gz USWUJJRTPOZTHP-IBGZPJMESA-N 2 0 345.487 1.737 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000342975695 539768289 /nfs/dbraw/zinc/76/82/89/539768289.db2.gz JEAAMMMRWATVNX-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000104139819 219351598 /nfs/dbraw/zinc/35/15/98/219351598.db2.gz OICOEOLFYQIKSR-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP COCCN(C)C[C@@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441645 306298602 /nfs/dbraw/zinc/29/86/02/306298602.db2.gz CNCICXTXLKKBJH-RTBURBONSA-N 2 0 335.492 1.526 20 0 EDADRP C[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)C1CC[NH+](C)CC1 ZINC000154495685 539841786 /nfs/dbraw/zinc/84/17/86/539841786.db2.gz PPCVZTLAYFQCGL-RDJZCZTQSA-N 2 0 327.538 1.514 20 0 EDADRP C[NH+]1CCC[C@@H](CNc2nccnc2NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000166511928 539926372 /nfs/dbraw/zinc/92/63/72/539926372.db2.gz ALFPMCLGWMUIIQ-IYBDPMFKSA-N 2 0 332.496 1.984 20 0 EDADRP COc1cc(Cl)c(C)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562746873 306307583 /nfs/dbraw/zinc/30/75/83/306307583.db2.gz RYTLOVTZXPNONB-LLVKDONJSA-N 2 0 326.828 1.764 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000563113305 306318753 /nfs/dbraw/zinc/31/87/53/306318753.db2.gz OVXXJBYLVIIZDT-QGZVFWFLSA-N 2 0 328.460 1.648 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn(CCCC[NH3+])nn1)c1ccccc1 ZINC000563199169 306322869 /nfs/dbraw/zinc/32/28/69/306322869.db2.gz UKSOCWRKCINNJU-UHFFFAOYSA-N 2 0 330.436 1.225 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183726397 235208463 /nfs/dbraw/zinc/20/84/63/235208463.db2.gz MGTRAEHHVIHYGT-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187031446 540153042 /nfs/dbraw/zinc/15/30/42/540153042.db2.gz WKELBJNAEVUBMG-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000563410757 306332291 /nfs/dbraw/zinc/33/22/91/306332291.db2.gz LQMSTSGXDURKFE-IRXDYDNUSA-N 2 0 345.491 1.050 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000563424128 306332509 /nfs/dbraw/zinc/33/25/09/306332509.db2.gz JRUNSIGGVJWSHS-BFHYXJOUSA-N 2 0 343.518 1.761 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522908 138151149 /nfs/dbraw/zinc/15/11/49/138151149.db2.gz ANYTUNUQRRXUEB-INIZCTEOSA-N 2 0 341.496 1.354 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCC[NH+]1CCCCC1 ZINC000078030216 138256124 /nfs/dbraw/zinc/25/61/24/138256124.db2.gz XICRAGALWABTPC-UHFFFAOYSA-N 2 0 345.491 1.196 20 0 EDADRP C[C@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085424184 138270639 /nfs/dbraw/zinc/27/06/39/138270639.db2.gz NNIAGOPVQGPVRE-HNNXBMFYSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000563580473 306339545 /nfs/dbraw/zinc/33/95/45/306339545.db2.gz IXNNISIBRMANSK-DJIMGWMZSA-N 2 0 332.448 1.191 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000124429796 138326597 /nfs/dbraw/zinc/32/65/97/138326597.db2.gz RENDTTZJDSHJHL-UHFFFAOYSA-N 2 0 332.483 1.579 20 0 EDADRP CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[NH+](C)C ZINC000125085898 138331947 /nfs/dbraw/zinc/33/19/47/138331947.db2.gz TZPVVZNSUKHYQX-QZTJIDSGSA-N 2 0 333.476 1.600 20 0 EDADRP [NH3+]C1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000563609220 306341774 /nfs/dbraw/zinc/34/17/74/306341774.db2.gz STRYJYSQISHGBK-ABRWGSHYSA-N 2 0 332.492 1.676 20 0 EDADRP Cc1n[nH]c(C)c1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000131899142 138367563 /nfs/dbraw/zinc/36/75/63/138367563.db2.gz FXOOAYUVUFIYEY-UHFFFAOYSA-N 2 0 349.523 1.943 20 0 EDADRP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000132251142 138373727 /nfs/dbraw/zinc/37/37/27/138373727.db2.gz CJQXEOXEBLJEGB-INIZCTEOSA-N 2 0 339.480 1.110 20 0 EDADRP Cc1nc(-c2cccc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])c2)no1 ZINC000563693406 306345364 /nfs/dbraw/zinc/34/53/64/306345364.db2.gz ZOSNRCPBUQDVAR-AWEZNQCLSA-N 2 0 330.392 1.152 20 0 EDADRP CC(=O)Nc1ccccc1C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000563805908 306347836 /nfs/dbraw/zinc/34/78/36/306347836.db2.gz MPEWMJAYEMKRJR-JKIFEVAISA-N 2 0 335.448 1.205 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CC(N)=O)CC2)CC1 ZINC000421352794 283350175 /nfs/dbraw/zinc/35/01/75/283350175.db2.gz RNQNUMGJBUMKOY-UHFFFAOYSA-N 2 0 344.503 1.964 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000565099591 306375515 /nfs/dbraw/zinc/37/55/15/306375515.db2.gz VDXROVCLTHVTLN-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccncc1F ZINC000414181751 304104831 /nfs/dbraw/zinc/10/48/31/304104831.db2.gz CKVXFJHMSCPPCT-OAHLLOKOSA-N 2 0 336.455 1.668 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000566066475 306397542 /nfs/dbraw/zinc/39/75/42/306397542.db2.gz UQIASTOKEDTJGF-PKOBYXMFSA-N 2 0 344.503 1.261 20 0 EDADRP Cc1nc2c(s1)[C@H]([N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000414698483 304129486 /nfs/dbraw/zinc/12/94/86/304129486.db2.gz RAKOEOSBAUXICF-UKRRQHHQSA-N 2 0 336.505 1.958 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414734369 304134647 /nfs/dbraw/zinc/13/46/47/304134647.db2.gz KVQKVZDEWGOQPS-HZPDHXFCSA-N 2 0 331.460 1.841 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000414740473 304135722 /nfs/dbraw/zinc/13/57/22/304135722.db2.gz RDKPFSIUWDCODU-YOEHRIQHSA-N 2 0 346.475 1.881 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000155251420 296109501 /nfs/dbraw/zinc/10/95/01/296109501.db2.gz IQRCHNIQUOICSZ-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000414788169 304140697 /nfs/dbraw/zinc/14/06/97/304140697.db2.gz CYCXFHIHTKVLAJ-QGZVFWFLSA-N 2 0 339.505 1.721 20 0 EDADRP Cc1nc2ccccn2c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414989098 304148305 /nfs/dbraw/zinc/14/83/05/304148305.db2.gz PZVWUDPRJASRDE-AWEZNQCLSA-N 2 0 341.381 1.568 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000415023206 304151659 /nfs/dbraw/zinc/15/16/59/304151659.db2.gz WHPUQOYLSHPJOR-OLZOCXBDSA-N 2 0 341.477 1.174 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000155126849 296146693 /nfs/dbraw/zinc/14/66/93/296146693.db2.gz YZTXNXGBESKEDK-JKSUJKDBSA-N 2 0 328.464 1.554 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000415115087 304160739 /nfs/dbraw/zinc/16/07/39/304160739.db2.gz TZSNVFFWDUXFPQ-KRWDZBQOSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000415119089 304161332 /nfs/dbraw/zinc/16/13/32/304161332.db2.gz WVDRFCNAUAUQAG-OAHLLOKOSA-N 2 0 339.505 1.604 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3csc(CC[NH3+])n3)CC2)CC1 ZINC000194836848 139001097 /nfs/dbraw/zinc/00/10/97/139001097.db2.gz MRZFGCLCFBYQRO-UHFFFAOYSA-N 2 0 336.505 1.981 20 0 EDADRP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415134366 304163160 /nfs/dbraw/zinc/16/31/60/304163160.db2.gz DPFGPMDPYWXQOZ-RTBURBONSA-N 2 0 342.487 1.969 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000179855699 296180944 /nfs/dbraw/zinc/18/09/44/296180944.db2.gz DEZHEXGTOZUFBA-OAHLLOKOSA-N 2 0 345.487 1.034 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236743825 139030035 /nfs/dbraw/zinc/03/00/35/139030035.db2.gz OJQWXIGLPUUHGD-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cn2)CC1 ZINC000567349260 306448234 /nfs/dbraw/zinc/44/82/34/306448234.db2.gz DPZOKRUCQCPRNP-DLBZAZTESA-N 2 0 345.491 1.357 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236923399 139035243 /nfs/dbraw/zinc/03/52/43/139035243.db2.gz XPXFEOSYLBWCRM-MJGOQNOKSA-N 2 0 346.519 1.684 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@]2(C)CC[NH2+]C2)c1 ZINC000236868501 139033732 /nfs/dbraw/zinc/03/37/32/139033732.db2.gz HUSKZQVBAIQXFI-IBGZPJMESA-N 2 0 346.475 1.696 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237202581 139044068 /nfs/dbraw/zinc/04/40/68/139044068.db2.gz GGTQEYBWUONFNA-RBUKOAKNSA-N 2 0 344.503 1.624 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1CC[NH2+]C1)[NH+]1CCCCC1 ZINC000237203899 139044253 /nfs/dbraw/zinc/04/42/53/139044253.db2.gz OWJVQYQQUULHJR-DOTOQJQBSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000237313371 139047461 /nfs/dbraw/zinc/04/74/61/139047461.db2.gz HPAGXSDGYSYTBL-HNNXBMFYSA-N 2 0 333.476 1.879 20 0 EDADRP C[C@H](NC(=O)C1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237558929 139054048 /nfs/dbraw/zinc/05/40/48/139054048.db2.gz DWKCIKGHQOXYBS-AWEZNQCLSA-N 2 0 348.466 1.754 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000237588858 139054992 /nfs/dbraw/zinc/05/49/92/139054992.db2.gz YMVHWELXSHMVCY-OAHLLOKOSA-N 2 0 330.432 1.129 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000237931409 139064133 /nfs/dbraw/zinc/06/41/33/139064133.db2.gz OMNAVWJXXZCIHM-CABCVRRESA-N 2 0 337.489 1.770 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415231586 304176908 /nfs/dbraw/zinc/17/69/08/304176908.db2.gz PHPRLJSBMHJTSA-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000415248526 304178818 /nfs/dbraw/zinc/17/88/18/304178818.db2.gz WOIJULNOVBGLPZ-IBGZPJMESA-N 2 0 344.459 1.289 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000246212352 139099329 /nfs/dbraw/zinc/09/93/29/139099329.db2.gz FXHOCSAQNIXGPG-FRQCXROJSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C[C@H]1CCCO1 ZINC000246139706 139096286 /nfs/dbraw/zinc/09/62/86/139096286.db2.gz QXQNJKZCYMFVSM-NZSAHSFTSA-N 2 0 345.487 1.876 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000246915590 139126831 /nfs/dbraw/zinc/12/68/31/139126831.db2.gz GLTXDILLFCBSCW-ZIAGYGMSSA-N 2 0 325.478 1.587 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000246943114 139128014 /nfs/dbraw/zinc/12/80/14/139128014.db2.gz KDIPOUUPUZSGIN-IAGOWNOFSA-N 2 0 335.448 1.135 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000415334523 304196863 /nfs/dbraw/zinc/19/68/63/304196863.db2.gz SNIFSXQSHURELM-RHSMWYFYSA-N 2 0 344.459 1.335 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415349657 304200781 /nfs/dbraw/zinc/20/07/81/304200781.db2.gz XRKJOFYGZXDSSS-OAHLLOKOSA-N 2 0 344.459 1.431 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000266663291 284631259 /nfs/dbraw/zinc/63/12/59/284631259.db2.gz IXXXODNSSOTQEN-UHFFFAOYSA-N 2 0 332.492 1.727 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000418434373 284642075 /nfs/dbraw/zinc/64/20/75/284642075.db2.gz VQMIAIQGYJVJIK-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000415385943 304210903 /nfs/dbraw/zinc/21/09/03/304210903.db2.gz OWVYOGXAKXYRPN-AWEZNQCLSA-N 2 0 346.475 1.581 20 0 EDADRP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864604 284741487 /nfs/dbraw/zinc/74/14/87/284741487.db2.gz VQKQPPCRNDNYMK-OWCLPIDISA-N 2 0 331.526 1.558 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415418413 304218916 /nfs/dbraw/zinc/21/89/16/304218916.db2.gz ONBQDGSQFDAMPB-OAHLLOKOSA-N 2 0 346.475 1.459 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415433128 304219211 /nfs/dbraw/zinc/21/92/11/304219211.db2.gz VFCSRKAPDROWDN-OAHLLOKOSA-N 2 0 334.464 1.219 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261764126 139224139 /nfs/dbraw/zinc/22/41/39/139224139.db2.gz LXUHTKNLFJPLQV-LZQZEXGQSA-N 2 0 345.487 1.910 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C1([NH3+])CCOCC1 ZINC000261802591 139227284 /nfs/dbraw/zinc/22/72/84/139227284.db2.gz JAKLRMDNRMRBBC-UHFFFAOYSA-N 2 0 349.500 1.990 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261819044 139228787 /nfs/dbraw/zinc/22/87/87/139228787.db2.gz NXTAOHZEOKGIGJ-WDBKCZKBSA-N 2 0 340.265 1.737 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cc1ccccc1 ZINC000261831813 139229950 /nfs/dbraw/zinc/22/99/50/139229950.db2.gz QBXLKHGHYGEQAX-KURKYZTESA-N 2 0 333.476 1.562 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C(CC)(CC)C[NH3+])cn2)CC1 ZINC000261837828 139230422 /nfs/dbraw/zinc/23/04/22/139230422.db2.gz OWJLDSVKVUXZDU-UHFFFAOYSA-N 2 0 347.507 1.605 20 0 EDADRP C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000261894194 139234744 /nfs/dbraw/zinc/23/47/44/139234744.db2.gz VODBMXOPBWDZAP-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261894409 139234767 /nfs/dbraw/zinc/23/47/67/139234767.db2.gz GYXCLKFTGKBBDP-BARDWOONSA-N 2 0 335.414 1.617 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261953830 139239737 /nfs/dbraw/zinc/23/97/37/139239737.db2.gz ZJXWBYAWWKLMLO-YJBOKZPZSA-N 2 0 349.450 1.785 20 0 EDADRP C[NH2+]CCC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000261967498 139240449 /nfs/dbraw/zinc/24/04/49/139240449.db2.gz YNPSKNLUUBESSE-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000262005022 139243217 /nfs/dbraw/zinc/24/32/17/139243217.db2.gz ULOVLNGFAQJHPC-SJLPKXTDSA-N 2 0 347.507 1.853 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)O1 ZINC000261986066 139242043 /nfs/dbraw/zinc/24/20/43/139242043.db2.gz MMIMODXGEKWAIZ-SJORKVTESA-N 2 0 349.500 1.723 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)[C@H](C)[NH3+])c(C)c2)CC1 ZINC000414750176 250862792 /nfs/dbraw/zinc/86/27/92/250862792.db2.gz KXWNAODAZFHDTP-LSDHHAIUSA-N 2 0 333.480 1.994 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000262069732 139248346 /nfs/dbraw/zinc/24/83/46/139248346.db2.gz BZALGKXUONGOIW-GOSISDBHSA-N 2 0 325.460 1.567 20 0 EDADRP O=C(CC[NH+]1CCC(Oc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262093397 139250417 /nfs/dbraw/zinc/25/04/17/139250417.db2.gz LOSQBMOCUDTXFO-UHFFFAOYSA-N 2 0 335.423 1.491 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@]2(C)CCC[NH2+]C2)ccc1C[NH+](C)C ZINC000415570035 304227961 /nfs/dbraw/zinc/22/79/61/304227961.db2.gz LEOYCCMOVCCILP-IBGZPJMESA-N 2 0 346.475 1.501 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)Nc2ncccc2C[NH3+])C[C@@H]1CC ZINC000416032518 251050553 /nfs/dbraw/zinc/05/05/53/251050553.db2.gz QJIIVQYGDBRJHU-HNNXBMFYSA-N 2 0 335.452 1.505 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416215203 251058606 /nfs/dbraw/zinc/05/86/06/251058606.db2.gz NGBOQOVPXHSOEU-FUHWJXTLSA-N 2 0 347.503 1.983 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000416829697 251112882 /nfs/dbraw/zinc/11/28/82/251112882.db2.gz FXGRQESWTAKKCK-MSOLQXFVSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417012945 251131422 /nfs/dbraw/zinc/13/14/22/251131422.db2.gz BESQZMXATGEAPF-CRAIPNDOSA-N 2 0 330.476 1.732 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013654 251132172 /nfs/dbraw/zinc/13/21/72/251132172.db2.gz CXIPBPGJBMXOHM-QGZVFWFLSA-N 2 0 347.507 1.625 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417088378 251140873 /nfs/dbraw/zinc/14/08/73/251140873.db2.gz KHPHVHFVWLBQMC-QGZVFWFLSA-N 2 0 330.476 1.827 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417308474 251153640 /nfs/dbraw/zinc/15/36/40/251153640.db2.gz CRLSULCXALCEPP-HOTGVXAUSA-N 2 0 330.476 1.684 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000417423527 251167663 /nfs/dbraw/zinc/16/76/63/251167663.db2.gz RLBPMSMPWCXRGE-JKSUJKDBSA-N 2 0 334.464 1.976 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C1CC1 ZINC000417430035 251169451 /nfs/dbraw/zinc/16/94/51/251169451.db2.gz OHCODOQEEQFLJA-UHFFFAOYSA-N 2 0 334.508 1.924 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417387809 251161784 /nfs/dbraw/zinc/16/17/84/251161784.db2.gz VAEYPHUTNUOJAC-IYBDPMFKSA-N 2 0 348.516 1.821 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417498018 251181162 /nfs/dbraw/zinc/18/11/62/251181162.db2.gz CVOIGXGPUKAYND-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262363427 139273359 /nfs/dbraw/zinc/27/33/59/139273359.db2.gz KRWHJTGVOUDMSJ-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000262376305 139274411 /nfs/dbraw/zinc/27/44/11/139274411.db2.gz NBXXMVYHBJNYPK-XSLAGTTESA-N 2 0 336.524 1.392 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000417595210 251201647 /nfs/dbraw/zinc/20/16/47/251201647.db2.gz XRAORLDUTDTDKU-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)[C@H](C)C[NH2+]1 ZINC000417662509 251217609 /nfs/dbraw/zinc/21/76/09/251217609.db2.gz SDGYQGCXRSOFAX-JMSVASOKSA-N 2 0 340.418 1.959 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000417619192 251207655 /nfs/dbraw/zinc/20/76/55/251207655.db2.gz DSZNIISZTITYQI-GOEBONIOSA-N 2 0 334.464 1.403 20 0 EDADRP C[C@@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262450618 139279952 /nfs/dbraw/zinc/27/99/52/139279952.db2.gz WGSHPCUMEOGMFB-DYVFJYSZSA-N 2 0 340.427 1.650 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813891 251280306 /nfs/dbraw/zinc/28/03/06/251280306.db2.gz AMTBHWDDTPBSHW-KANFNMMFSA-N 2 0 342.487 1.758 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC000418106149 251323048 /nfs/dbraw/zinc/32/30/48/251323048.db2.gz MQTCUSBPNLVASB-ZSYWTGECSA-N 2 0 342.487 1.887 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108179 251325683 /nfs/dbraw/zinc/32/56/83/251325683.db2.gz AOJGHPVTSQPPIS-CVEARBPZSA-N 2 0 340.512 1.565 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417858105 251300601 /nfs/dbraw/zinc/30/06/01/251300601.db2.gz UTDOHHPKNQLUHC-DLBZAZTESA-N 2 0 333.480 1.733 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000418435547 251370720 /nfs/dbraw/zinc/37/07/20/251370720.db2.gz APNQPWCFQNFZKJ-CVEARBPZSA-N 2 0 326.485 1.258 20 0 EDADRP CCO[C@H](C)c1noc(CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000569490165 306508895 /nfs/dbraw/zinc/50/88/95/306508895.db2.gz RXFTXSDGSPKEOQ-CABCVRRESA-N 2 0 337.468 1.284 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418148202 251343905 /nfs/dbraw/zinc/34/39/05/251343905.db2.gz REGIFVNRGOZTPI-SJLPKXTDSA-N 2 0 330.476 1.806 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC[NH+](C)CC1 ZINC000418194324 251353071 /nfs/dbraw/zinc/35/30/71/251353071.db2.gz DJMISCYMMSKFBJ-KGLIPLIRSA-N 2 0 328.526 1.583 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)CC[NH+](C)CC1 ZINC000418196733 251354747 /nfs/dbraw/zinc/35/47/47/251354747.db2.gz IEXHXGSCRMVOJA-KBPBESRZSA-N 2 0 328.526 1.440 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418384355 251363916 /nfs/dbraw/zinc/36/39/16/251363916.db2.gz KHAJMUANTGPOQD-RCCFBDPRSA-N 2 0 348.491 1.152 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000418383345 251364162 /nfs/dbraw/zinc/36/41/62/251364162.db2.gz NMJPYMRBIUUBNW-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000418717838 251395327 /nfs/dbraw/zinc/39/53/27/251395327.db2.gz TUOPDLXPMSJRIJ-CHWSQXEVSA-N 2 0 332.370 1.710 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262664818 139294504 /nfs/dbraw/zinc/29/45/04/139294504.db2.gz IYPYSLXVFLQAKF-MRXNPFEDSA-N 2 0 346.475 1.824 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262665422 139294716 /nfs/dbraw/zinc/29/47/16/139294716.db2.gz JKLUDXKCVUFTJD-ZYSHUDEJSA-N 2 0 347.503 1.922 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)C1 ZINC000262672353 139295266 /nfs/dbraw/zinc/29/52/66/139295266.db2.gz PETGZPBLNDGLOH-WMZOPIPTSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329770 251675158 /nfs/dbraw/zinc/67/51/58/251675158.db2.gz OXUUSGXSVIPWIR-FUHWJXTLSA-N 2 0 345.487 1.687 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262832164 139306690 /nfs/dbraw/zinc/30/66/90/139306690.db2.gz HYGDFIMJPWWJTI-GOSISDBHSA-N 2 0 348.491 1.069 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000262864939 139309018 /nfs/dbraw/zinc/30/90/18/139309018.db2.gz ULLDXQHXLZQIGY-MJGOQNOKSA-N 2 0 344.503 1.621 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422872777 252006513 /nfs/dbraw/zinc/00/65/13/252006513.db2.gz IPNLZXULRXFGTJ-QZTJIDSGSA-N 2 0 333.476 1.564 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+]C3CCC([NH3+])CC3)cc2)CC1 ZINC000422877357 252007608 /nfs/dbraw/zinc/00/76/08/252007608.db2.gz HVHXKHMDUOZARG-UHFFFAOYSA-N 2 0 330.476 1.434 20 0 EDADRP [NH3+]CC1CCC([NH2+]Cc2cccc(C(=O)N3CCOCC3)c2)CC1 ZINC000422903366 252016786 /nfs/dbraw/zinc/01/67/86/252016786.db2.gz OKAYWBOZFRMYPM-UHFFFAOYSA-N 2 0 331.460 1.766 20 0 EDADRP C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423067850 252034081 /nfs/dbraw/zinc/03/40/81/252034081.db2.gz AHUUSTLZZSYRJE-HIFRSBDPSA-N 2 0 331.526 1.699 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000423414181 252053853 /nfs/dbraw/zinc/05/38/53/252053853.db2.gz MDHFMOKPHGUOPB-CVEARBPZSA-N 2 0 340.512 1.149 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000422906393 252018338 /nfs/dbraw/zinc/01/83/38/252018338.db2.gz UZVKKTZJSKZZKG-MSOLQXFVSA-N 2 0 331.460 1.766 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000423799903 252081742 /nfs/dbraw/zinc/08/17/42/252081742.db2.gz QVEZFKLQVVYAEO-IEBWSBKVSA-N 2 0 330.476 1.894 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424146858 252143998 /nfs/dbraw/zinc/14/39/98/252143998.db2.gz QGJYPYUPTHZYMK-RBSFLKMASA-N 2 0 333.480 1.490 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218199 252165844 /nfs/dbraw/zinc/16/58/44/252165844.db2.gz RIBNMDCTVOHANO-YESZJQIVSA-N 2 0 333.501 1.800 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424131207 252133589 /nfs/dbraw/zinc/13/35/89/252133589.db2.gz IMTMNXCMKLAIOK-OAHLLOKOSA-N 2 0 335.496 1.739 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000424263849 252184012 /nfs/dbraw/zinc/18/40/12/252184012.db2.gz HSSGQGPDZVVKEW-UHFFFAOYSA-N 2 0 332.448 1.265 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424293624 252192019 /nfs/dbraw/zinc/19/20/19/252192019.db2.gz PHHXVONIWHKXBA-AWEZNQCLSA-N 2 0 345.443 1.876 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424412404 252217263 /nfs/dbraw/zinc/21/72/63/252217263.db2.gz AMYGVMFYNJENIQ-ZIAGYGMSSA-N 2 0 333.436 1.239 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)ccc1C[NH+](C)C ZINC000415625837 304241729 /nfs/dbraw/zinc/24/17/29/304241729.db2.gz QRGHSNVJBHQOTD-OAHLLOKOSA-N 2 0 332.448 1.253 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415653644 304248634 /nfs/dbraw/zinc/24/86/34/304248634.db2.gz GOBYDWVSHXKKOC-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263213531 139328661 /nfs/dbraw/zinc/32/86/61/139328661.db2.gz KMZNTDPBKIGAIF-CRAIPNDOSA-N 2 0 325.497 1.900 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000415679038 304254889 /nfs/dbraw/zinc/25/48/89/304254889.db2.gz OVHGFMLSEQLZNZ-UKRRQHHQSA-N 2 0 332.448 1.252 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415707547 304260269 /nfs/dbraw/zinc/26/02/69/304260269.db2.gz WKHTVJHBMLJEPV-HUUCEWRRSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415736788 304263161 /nfs/dbraw/zinc/26/31/61/304263161.db2.gz FYGURLYOQJYVEV-YOEHRIQHSA-N 2 0 344.459 1.559 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COCC(F)(F)F ZINC000337578878 285243647 /nfs/dbraw/zinc/24/36/47/285243647.db2.gz LSTLVGZWFXZGEO-CYBMUJFWSA-N 2 0 339.402 1.440 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(CC)COC1 ZINC000459059212 285244290 /nfs/dbraw/zinc/24/42/90/285244290.db2.gz FBHVHIGGUCCWSH-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746367 255052300 /nfs/dbraw/zinc/05/23/00/255052300.db2.gz FWPCRHNPOGYHBC-APWZRJJASA-N 2 0 345.487 1.601 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)C2)C1 ZINC000489373638 255067987 /nfs/dbraw/zinc/06/79/87/255067987.db2.gz SLCHTIKFPZQQHA-MJGOQNOKSA-N 2 0 334.508 1.988 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415787811 304271021 /nfs/dbraw/zinc/27/10/21/304271021.db2.gz NNMKRCAVORTQST-INIZCTEOSA-N 2 0 346.475 1.711 20 0 EDADRP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000494842499 255262758 /nfs/dbraw/zinc/26/27/58/255262758.db2.gz PTRHMHXRLWUVDN-GOSISDBHSA-N 2 0 340.556 1.839 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415789189 304271524 /nfs/dbraw/zinc/27/15/24/304271524.db2.gz PIBUXOUZMHILDZ-GOEBONIOSA-N 2 0 346.475 1.711 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](C)CNC(=O)OC(C)(C)C ZINC000496341923 255383648 /nfs/dbraw/zinc/38/36/48/255383648.db2.gz IOFDVDWUKYMVRO-ZIAGYGMSSA-N 2 0 341.500 1.745 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000119097311 221242995 /nfs/dbraw/zinc/24/29/95/221242995.db2.gz NQOVFTYSCVDQQC-MAUKXSAKSA-N 2 0 342.487 1.969 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000417007406 285323982 /nfs/dbraw/zinc/32/39/82/285323982.db2.gz HLIZNTWIZCKYJQ-AEFFLSMTSA-N 2 0 340.512 1.565 20 0 EDADRP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000571413209 306564977 /nfs/dbraw/zinc/56/49/77/306564977.db2.gz KQJPJAPZHKDRRY-CYBMUJFWSA-N 2 0 328.416 1.937 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000271137939 140244414 /nfs/dbraw/zinc/24/44/14/140244414.db2.gz ROJCZTSNOCSNHG-RHSMWYFYSA-N 2 0 337.439 1.513 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@H]3[NH3+])CC2)cc1 ZINC000333229454 141284398 /nfs/dbraw/zinc/28/43/98/141284398.db2.gz BPJPFXAQBKMJLH-IAGOWNOFSA-N 2 0 337.489 1.618 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333630026 141347606 /nfs/dbraw/zinc/34/76/06/141347606.db2.gz ASTLWJMYLHRTHU-ZIFCJYIRSA-N 2 0 337.508 1.996 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333634348 141348088 /nfs/dbraw/zinc/34/80/88/141348088.db2.gz SYRAAIUMJGOAOW-DLBZAZTESA-N 2 0 338.496 1.272 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000333667989 141353179 /nfs/dbraw/zinc/35/31/79/141353179.db2.gz MQURLDQRNJZSGV-IKGGRYGDSA-N 2 0 338.496 1.432 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C(C)C)CC2)C1 ZINC000339564779 142078933 /nfs/dbraw/zinc/07/89/33/142078933.db2.gz ZTWGRHLZILMAIO-INIZCTEOSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000339947166 142209114 /nfs/dbraw/zinc/20/91/14/142209114.db2.gz NVPBXLQPNGFMPX-MAUKXSAKSA-N 2 0 341.459 1.432 20 0 EDADRP CN1CC[C@H]([NH2+]CCCn2cc(CO)nn2)C[C@H]1c1ccccc1 ZINC000340400094 142377628 /nfs/dbraw/zinc/37/76/28/142377628.db2.gz JCTUTBQKEQFYBU-WMZOPIPTSA-N 2 0 329.448 1.586 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@@H+]1C ZINC000345319951 143077332 /nfs/dbraw/zinc/07/73/32/143077332.db2.gz MQRSBGDLQGOEES-QFBILLFUSA-N 2 0 344.503 1.647 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000345751578 143128971 /nfs/dbraw/zinc/12/89/71/143128971.db2.gz CRPLIASAKXJWGI-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2ccccc2C[NH+](C)C)C[C@@H](C)O1 ZINC000345938577 143149328 /nfs/dbraw/zinc/14/93/28/143149328.db2.gz XYZPEKXOFWDMEC-HZPDHXFCSA-N 2 0 333.476 1.977 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCCO1 ZINC000346802964 143247133 /nfs/dbraw/zinc/24/71/33/143247133.db2.gz VEJVJTNUKLOCJM-JQHSSLGASA-N 2 0 333.476 1.433 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347117931 143284474 /nfs/dbraw/zinc/28/44/74/143284474.db2.gz XMPOOZJRMFTLGD-OAHLLOKOSA-N 2 0 345.422 1.298 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cn1C ZINC000347792290 143363713 /nfs/dbraw/zinc/36/37/13/143363713.db2.gz WHRFFHTXLBMIMT-AWEZNQCLSA-N 2 0 337.464 1.336 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H](C[NH3+])c3ccccc3)nc2)CC1 ZINC000572598581 306594298 /nfs/dbraw/zinc/59/42/98/306594298.db2.gz RJAWGVJSIXNXIB-QGZVFWFLSA-N 2 0 339.443 1.514 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000572956890 306605128 /nfs/dbraw/zinc/60/51/28/306605128.db2.gz QDRBGXXUJDEZBD-DFBDCSAJSA-N 2 0 337.508 1.994 20 0 EDADRP CC[NH+]1CCN(CCOCCN2CC[N@@H+](CC)C[C@H]2C)[C@H](C)C1 ZINC000352657366 149103678 /nfs/dbraw/zinc/10/36/78/149103678.db2.gz ABDRTVABISPOOQ-QZTJIDSGSA-N 2 0 326.529 1.055 20 0 EDADRP CCCN(CC[NH+]1CCCC1)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352889785 149205830 /nfs/dbraw/zinc/20/58/30/149205830.db2.gz ZHIOGEZCYAQHRL-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353245889 149338042 /nfs/dbraw/zinc/33/80/42/149338042.db2.gz PMMDYJASKYAUBT-GOSISDBHSA-N 2 0 340.512 1.247 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416964670 304356247 /nfs/dbraw/zinc/35/62/47/304356247.db2.gz WJFZCSPHPWOJOR-HZPDHXFCSA-N 2 0 326.485 1.175 20 0 EDADRP CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000416968018 304357011 /nfs/dbraw/zinc/35/70/11/304357011.db2.gz IBVJQVCJRPJJJL-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP Cn1cncc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1cncn1C)CC2 ZINC000369948187 155248964 /nfs/dbraw/zinc/24/89/64/155248964.db2.gz KZVBRENLECEXIW-UHFFFAOYSA-N 2 0 328.464 1.642 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416978400 304359837 /nfs/dbraw/zinc/35/98/37/304359837.db2.gz QWRNXVWQFLJZRR-SFHVURJKSA-N 2 0 332.492 1.976 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000416980526 304360803 /nfs/dbraw/zinc/36/08/03/304360803.db2.gz BKCVDZINGDVPTD-INIZCTEOSA-N 2 0 348.491 1.897 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C2CCOCC2)CC1 ZINC000355040293 150086816 /nfs/dbraw/zinc/08/68/16/150086816.db2.gz NSDKZGJMZMAJJO-IAGOWNOFSA-N 2 0 336.480 1.119 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000355071563 150102923 /nfs/dbraw/zinc/10/29/23/150102923.db2.gz FRNPTYVIRLDDKY-SJPCQFCGSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000355095633 150114520 /nfs/dbraw/zinc/11/45/20/150114520.db2.gz QJISVWQXDYAHCR-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416982273 304361261 /nfs/dbraw/zinc/36/12/61/304361261.db2.gz VZXYYKALVOWINT-CRAIPNDOSA-N 2 0 345.491 1.957 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000357375215 151011665 /nfs/dbraw/zinc/01/16/65/151011665.db2.gz NDCITVLCRDQAKI-CJNGLKHVSA-N 2 0 341.402 1.361 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000357407680 151022833 /nfs/dbraw/zinc/02/28/33/151022833.db2.gz QKYONRCYRZPHOK-NVXWUHKLSA-N 2 0 325.497 1.865 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000357480974 151044309 /nfs/dbraw/zinc/04/43/09/151044309.db2.gz HZOUSQSAHYSITO-QGZVFWFLSA-N 2 0 346.475 1.646 20 0 EDADRP O=C1[C@@H]([N@@H+]2CC[C@H](CN3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779471 151149086 /nfs/dbraw/zinc/14/90/86/151149086.db2.gz JXDDNXSLQSLKTQ-MJGOQNOKSA-N 2 0 343.471 1.836 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](N(C)Cc3ncccn3)C2)CCC[N@@H+]1C ZINC000357927493 151199729 /nfs/dbraw/zinc/19/97/29/151199729.db2.gz IZLVWHMURRLLAW-OAGGEKHMSA-N 2 0 346.479 1.175 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000357964708 151212840 /nfs/dbraw/zinc/21/28/40/151212840.db2.gz PYSRGKBXGUFXKE-UHFFFAOYSA-N 2 0 345.491 1.052 20 0 EDADRP CSC1(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357986078 151223067 /nfs/dbraw/zinc/22/30/67/151223067.db2.gz BUUWBUNKQVTHJF-AWEZNQCLSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)C1=CC[N@H+](C)CC1 ZINC000358107688 151273651 /nfs/dbraw/zinc/27/36/51/151273651.db2.gz ZKRJAGVHXJUYRO-BBRMVZONSA-N 2 0 326.510 1.373 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000358120018 151278588 /nfs/dbraw/zinc/27/85/88/151278588.db2.gz ZRAHZOJNGQSMNS-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000358140951 151285998 /nfs/dbraw/zinc/28/59/98/151285998.db2.gz OLLJMEYTQOWDRF-MSOLQXFVSA-N 2 0 334.508 1.147 20 0 EDADRP Cn1ccnc1-c1cccc(NC(=O)NC[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358448329 151379129 /nfs/dbraw/zinc/37/91/29/151379129.db2.gz DMWFQJHYESOYGI-QGZVFWFLSA-N 2 0 329.404 1.275 20 0 EDADRP O=C(CC[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC(=O)Nc1ccccc1 ZINC000358495279 151394707 /nfs/dbraw/zinc/39/47/07/151394707.db2.gz HTTNYFKGTJVFMB-UHFFFAOYSA-N 2 0 330.432 1.800 20 0 EDADRP COC[C@@H](C)[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000360396479 152020403 /nfs/dbraw/zinc/02/04/03/152020403.db2.gz RMXOASYDRHVZBO-WXCOAYGQSA-N 2 0 337.508 1.674 20 0 EDADRP COC1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]CC1 ZINC000361726460 152479547 /nfs/dbraw/zinc/47/95/47/152479547.db2.gz IIWYODRMOWYHKX-UHFFFAOYSA-N 2 0 337.508 1.916 20 0 EDADRP Cc1ccc(O)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000363886862 153086379 /nfs/dbraw/zinc/08/63/79/153086379.db2.gz JIIWWFOJPSPNBA-UHFFFAOYSA-N 2 0 332.492 1.945 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccc(F)cc1 ZINC000417188438 304382454 /nfs/dbraw/zinc/38/24/54/304382454.db2.gz YRELKJRXVRPIEX-USXIJHARSA-N 2 0 334.439 1.822 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000364249813 153186217 /nfs/dbraw/zinc/18/62/17/153186217.db2.gz MCHYVCOKMNIQBG-OWCLPIDISA-N 2 0 325.497 1.770 20 0 EDADRP O=C(NCC1CC[NH+](CCc2ccccc2)CC1)[C@H]1C[NH2+]CCO1 ZINC000364598607 153283499 /nfs/dbraw/zinc/28/34/99/153283499.db2.gz IAVMERDSOXYQBD-GOSISDBHSA-N 2 0 331.460 1.046 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000417232847 304386142 /nfs/dbraw/zinc/38/61/42/304386142.db2.gz QRAFHDYJJPOGEH-BZSNNMDCSA-N 2 0 330.476 1.887 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000367096028 154008622 /nfs/dbraw/zinc/00/86/22/154008622.db2.gz GGZJQKHSKYPNGX-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCC34CCOCC4)ccn2)CC1 ZINC000367107022 154011032 /nfs/dbraw/zinc/01/10/32/154011032.db2.gz LJDPFOMXSPJDKP-KRWDZBQOSA-N 2 0 330.476 1.882 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](CCCOC(=O)NC(N)=O)CC2)CC1 ZINC000367370820 154092751 /nfs/dbraw/zinc/09/27/51/154092751.db2.gz GZGDSPNQUJYESW-UHFFFAOYSA-N 2 0 340.468 1.625 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000417300532 304390834 /nfs/dbraw/zinc/39/08/34/304390834.db2.gz UJZWHLISDJTJKS-HNNXBMFYSA-N 2 0 326.485 1.175 20 0 EDADRP CCC1(CNC(=O)[C@H]([NH3+])COC)CC[NH+](Cc2ccccc2)CC1 ZINC000367598450 154193421 /nfs/dbraw/zinc/19/34/21/154193421.db2.gz QYOQEMJZQVIETD-QGZVFWFLSA-N 2 0 333.476 1.769 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)Cc3ccccc3)CC2)CC1 ZINC000368217780 154462381 /nfs/dbraw/zinc/46/23/81/154462381.db2.gz AFJQIVOILXLZNO-HXUWFJFHSA-N 2 0 345.531 1.940 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000417345876 304393175 /nfs/dbraw/zinc/39/31/75/304393175.db2.gz VAABKYNEXIMROV-WFASDCNBSA-N 2 0 340.418 1.715 20 0 EDADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000353459677 304395560 /nfs/dbraw/zinc/39/55/60/304395560.db2.gz MMENEPBXHRUIFQ-ZWKOTPCHSA-N 2 0 335.492 1.193 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000369451617 155040547 /nfs/dbraw/zinc/04/05/47/155040547.db2.gz KOTQVSBIDKYVIH-OAHLLOKOSA-N 2 0 329.510 1.041 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)[C@H](c3nccn3C)C2)CC1 ZINC000369498545 155060572 /nfs/dbraw/zinc/06/05/72/155060572.db2.gz BYMUFFSHPBSZMW-SFHVURJKSA-N 2 0 348.539 1.125 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369658422 155122412 /nfs/dbraw/zinc/12/24/12/155122412.db2.gz DGBYYMUMSUJZQT-LAQRGFTBSA-N 2 0 332.492 1.596 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000371604460 156025396 /nfs/dbraw/zinc/02/53/96/156025396.db2.gz JACVSMPHTZQKIS-KRWDZBQOSA-N 2 0 345.491 1.687 20 0 EDADRP CCC[NH+]1CCC([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)CC1 ZINC000372056766 156227866 /nfs/dbraw/zinc/22/78/66/156227866.db2.gz VZLJBRZSZLDGIY-UHFFFAOYSA-N 2 0 343.537 1.797 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[N@@H+](CC[C@H]4CCC[NH+]4C)C[C@@H]3C2)no1 ZINC000372426458 156384943 /nfs/dbraw/zinc/38/49/43/156384943.db2.gz VXDILTBXZTUCNH-OWCLPIDISA-N 2 0 333.480 1.480 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372430355 156386454 /nfs/dbraw/zinc/38/64/54/156386454.db2.gz DWVJLPDYQXSNAQ-KXBFYZLASA-N 2 0 343.427 1.534 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417548889 304404952 /nfs/dbraw/zinc/40/49/52/304404952.db2.gz IRBQGQISZDOBPT-OAHLLOKOSA-N 2 0 348.491 1.441 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000378158678 158095719 /nfs/dbraw/zinc/09/57/19/158095719.db2.gz AWMRTINTZXUSGY-BHIYHBOVSA-N 2 0 345.487 1.895 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378187660 158103011 /nfs/dbraw/zinc/10/30/11/158103011.db2.gz OHVRZKQZSYPELR-JKSUJKDBSA-N 2 0 333.480 1.568 20 0 EDADRP COCC[C@@]1(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000378211703 158111528 /nfs/dbraw/zinc/11/15/28/158111528.db2.gz RJSAHIFSOVDISZ-SFHVURJKSA-N 2 0 337.439 1.390 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000378225234 158115249 /nfs/dbraw/zinc/11/52/49/158115249.db2.gz CZRIHVGWVWABDL-ZIFCJYIRSA-N 2 0 348.491 1.216 20 0 EDADRP C[N@H+](C[C@@H]1CC12CCN(C(=O)NCCn1ccnc1)CC2)C1CC1 ZINC000378353889 158148243 /nfs/dbraw/zinc/14/82/43/158148243.db2.gz HHVPRKKPQKGEON-HNNXBMFYSA-N 2 0 331.464 1.789 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-n2cncn2)cc1 ZINC000378371600 158154955 /nfs/dbraw/zinc/15/49/55/158154955.db2.gz PMELGPLHBDSILY-CEXWTWQISA-N 2 0 341.459 1.951 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000378408900 158165852 /nfs/dbraw/zinc/16/58/52/158165852.db2.gz YDZCJEDCNRYJFP-UHFFFAOYSA-N 2 0 335.492 1.624 20 0 EDADRP COC(=O)COc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000351928192 161845154 /nfs/dbraw/zinc/84/51/54/161845154.db2.gz GPHSYYNJDIYVOU-INIZCTEOSA-N 2 0 349.475 1.354 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000352183668 162036421 /nfs/dbraw/zinc/03/64/21/162036421.db2.gz GUHVADPOUQTSMV-KRWDZBQOSA-N 2 0 347.507 1.616 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352534465 162237777 /nfs/dbraw/zinc/23/77/77/162237777.db2.gz GUNYPNFSYRRJJS-MRXNPFEDSA-N 2 0 349.475 1.913 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000357054415 162281404 /nfs/dbraw/zinc/28/14/04/162281404.db2.gz RXFFXHJQQBAPRH-UHFFFAOYSA-N 2 0 326.529 1.591 20 0 EDADRP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000357054571 162281490 /nfs/dbraw/zinc/28/14/90/162281490.db2.gz QLDYBOKWUVEGJA-SJORKVTESA-N 2 0 332.444 1.897 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322748 287002800 /nfs/dbraw/zinc/00/28/00/287002800.db2.gz FGMIQALNZWHSOX-IXDOHACOSA-N 2 0 337.508 1.853 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075677751 287278479 /nfs/dbraw/zinc/27/84/79/287278479.db2.gz QADOANKIOOVGOP-RTBURBONSA-N 2 0 338.540 1.199 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000112362244 287340582 /nfs/dbraw/zinc/34/05/82/287340582.db2.gz HBONFHHBRMHQCD-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458340626 287390548 /nfs/dbraw/zinc/39/05/48/287390548.db2.gz JXBMHEZRNFZUIG-ZACQAIPSSA-N 2 0 340.512 1.395 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000418350891 304484128 /nfs/dbraw/zinc/48/41/28/304484128.db2.gz TUIKDLSLHZXCPG-HFTRVMKXSA-N 2 0 348.491 1.985 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130646415 287496836 /nfs/dbraw/zinc/49/68/36/287496836.db2.gz PBKVICCNNZCMCA-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000137937229 287584367 /nfs/dbraw/zinc/58/43/67/287584367.db2.gz DMAYPICWTYQULP-SFHVURJKSA-N 2 0 327.476 1.679 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+][C@@H]3C)cc2)CC1 ZINC000193589892 272996555 /nfs/dbraw/zinc/99/65/55/272996555.db2.gz NESKADNBYPQBAH-CRAIPNDOSA-N 2 0 330.476 1.699 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237072875 273007420 /nfs/dbraw/zinc/00/74/20/273007420.db2.gz VMOBRJRVTJKURB-IBGZPJMESA-N 2 0 344.503 1.799 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000237254387 273008580 /nfs/dbraw/zinc/00/85/80/273008580.db2.gz UUEHDMWYJIYUIM-SFHVURJKSA-N 2 0 344.503 1.506 20 0 EDADRP [NH3+]CC1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000237773418 273012744 /nfs/dbraw/zinc/01/27/44/273012744.db2.gz OWBMRSRBONYNKS-UHFFFAOYSA-N 2 0 344.503 1.977 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261749310 273017283 /nfs/dbraw/zinc/01/72/83/273017283.db2.gz LAUGCEXQPVODNL-HKUYNNGSSA-N 2 0 345.487 1.721 20 0 EDADRP COc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc2c1OCO2 ZINC000274568957 268161032 /nfs/dbraw/zinc/16/10/32/268161032.db2.gz ILJRRWNXVBJPMG-CQSZACIVSA-N 2 0 335.448 1.540 20 0 EDADRP CC[C@]1(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000274590352 268165294 /nfs/dbraw/zinc/16/52/94/268165294.db2.gz JWWOOCPPMOWMOO-LJQANCHMSA-N 2 0 333.476 1.818 20 0 EDADRP CCCC[N@H+](CCCO)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274671067 268180320 /nfs/dbraw/zinc/18/03/20/268180320.db2.gz SLFUKRBRKXBEFW-SFHVURJKSA-N 2 0 335.492 1.890 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275634493 268366464 /nfs/dbraw/zinc/36/64/64/268366464.db2.gz QXDDBQRDSSHOPN-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000276497822 273166819 /nfs/dbraw/zinc/16/68/19/273166819.db2.gz BREOFWKQIXBMOI-VYDXJSESSA-N 2 0 349.475 1.583 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC[N@H+]3CC=CCC3)c2)CC1 ZINC000279764820 273325036 /nfs/dbraw/zinc/32/50/36/273325036.db2.gz AWKDNMONNQZWNW-UHFFFAOYSA-N 2 0 342.487 1.426 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000283990047 274039504 /nfs/dbraw/zinc/03/95/04/274039504.db2.gz MBWKXJZVDZBQRE-UHFFFAOYSA-N 2 0 328.416 1.519 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284177849 274106722 /nfs/dbraw/zinc/10/67/22/274106722.db2.gz QVHLRGKHHYRCSE-OAHLLOKOSA-N 2 0 348.491 1.211 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000284646122 274277538 /nfs/dbraw/zinc/27/75/38/274277538.db2.gz JUFIFSAGUWLSBZ-UHFFFAOYSA-N 2 0 348.491 1.165 20 0 EDADRP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000268873121 275024965 /nfs/dbraw/zinc/02/49/65/275024965.db2.gz VTHBJQPAICBMSR-LFDOHDQPSA-N 2 0 343.471 1.865 20 0 EDADRP CCC[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000305720834 276038479 /nfs/dbraw/zinc/03/84/79/276038479.db2.gz PDNZQHWFFNTXDD-RCCFBDPRSA-N 2 0 333.476 1.468 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000269623636 276772642 /nfs/dbraw/zinc/77/26/42/276772642.db2.gz UMCMYNLTWHKWOJ-CQSZACIVSA-N 2 0 325.478 1.386 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367886005 277204945 /nfs/dbraw/zinc/20/49/45/277204945.db2.gz NARRZOYHVPWZAO-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000417848953 277229916 /nfs/dbraw/zinc/22/99/16/277229916.db2.gz WAIYCJIXQLAIIE-WMZOPIPTSA-N 2 0 348.491 1.575 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262940098 277279108 /nfs/dbraw/zinc/27/91/08/277279108.db2.gz UKADVRMNMZQHNT-CRAIPNDOSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC[S@@](=O)c2ccccc2)CC1 ZINC000357652267 278395179 /nfs/dbraw/zinc/39/51/79/278395179.db2.gz VBCZOOPJOUANDW-WAIKUNEKSA-N 2 0 338.517 1.819 20 0 EDADRP Cn1cc(CC[N@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)cn1 ZINC000286722034 288070079 /nfs/dbraw/zinc/07/00/79/288070079.db2.gz JORXGAVAKXUPKQ-FUHWJXTLSA-N 2 0 330.480 1.711 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343968687 279096682 /nfs/dbraw/zinc/09/66/82/279096682.db2.gz NSYFHPOONWHUBF-QGZVFWFLSA-N 2 0 341.540 1.954 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000424158532 288123063 /nfs/dbraw/zinc/12/30/63/288123063.db2.gz TUFDZAHUGWNMOE-WWGRRREGSA-N 2 0 331.464 1.100 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363585316 279362355 /nfs/dbraw/zinc/36/23/55/279362355.db2.gz IQLHUHGEMQGFAM-KZNAEPCWSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)CN1CC[NH+](C)CC1 ZINC000287889585 288348451 /nfs/dbraw/zinc/34/84/51/288348451.db2.gz YXKMGBYXIHTFLO-IRXDYDNUSA-N 2 0 342.491 1.801 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C[NH3+])OC)c1ccccc1Cl ZINC000289900283 288799562 /nfs/dbraw/zinc/79/95/62/288799562.db2.gz JDGIQSHZHRRHLM-HUUCEWRRSA-N 2 0 327.856 1.813 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000290007491 288820449 /nfs/dbraw/zinc/82/04/49/288820449.db2.gz QAFDZLVSABIJPZ-INIZCTEOSA-N 2 0 348.447 1.413 20 0 EDADRP NC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291507772 289089578 /nfs/dbraw/zinc/08/95/78/289089578.db2.gz WSQDTJAEPBTTGC-UHFFFAOYSA-N 2 0 330.432 1.169 20 0 EDADRP C[C@H](C(=O)NCCCC[NH+]1CCC[C@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000305695027 289351884 /nfs/dbraw/zinc/35/18/84/289351884.db2.gz DCIDHIZGGZVZNI-TWMKSMIVSA-N 2 0 325.497 1.601 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(-n2cccn2)c1 ZINC000262079667 295226415 /nfs/dbraw/zinc/22/64/15/295226415.db2.gz SYMRWTVEHCWGCX-GOSISDBHSA-N 2 0 341.459 1.692 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459130 297399987 /nfs/dbraw/zinc/39/99/87/297399987.db2.gz PCGAAAZOJCIREY-OAGGEKHMSA-N 2 0 341.496 1.990 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418841052 304539644 /nfs/dbraw/zinc/53/96/44/304539644.db2.gz GFRIPDKKJTUGOU-DLBZAZTESA-N 2 0 346.475 1.054 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419808098 304687772 /nfs/dbraw/zinc/68/77/72/304687772.db2.gz GOUKNURDBOXAQD-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420319534 304751396 /nfs/dbraw/zinc/75/13/96/304751396.db2.gz ALQJOVQGYOZIIW-QGTPRVQTSA-N 2 0 331.460 1.520 20 0 EDADRP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420379871 304753871 /nfs/dbraw/zinc/75/38/71/304753871.db2.gz WACWQDQIZGBAFQ-GJZGRUSLSA-N 2 0 339.505 1.977 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000419644707 447315582 /nfs/dbraw/zinc/31/55/82/447315582.db2.gz HTZXHRCHSAAGBC-HUUCEWRRSA-N 2 0 348.491 1.346 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000458355546 447320933 /nfs/dbraw/zinc/32/09/33/447320933.db2.gz CWFUMDFUGNKKAH-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766064 447324601 /nfs/dbraw/zinc/32/46/01/447324601.db2.gz QSQKALSDJKKFDC-CABCVRRESA-N 2 0 336.501 1.879 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766066 447324693 /nfs/dbraw/zinc/32/46/93/447324693.db2.gz QSQKALSDJKKFDC-HUUCEWRRSA-N 2 0 336.501 1.879 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000294915844 303154836 /nfs/dbraw/zinc/15/48/36/303154836.db2.gz AMMIAJCIVTXDLX-LBPRGKRZSA-N 2 0 325.403 1.996 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000295006975 303162051 /nfs/dbraw/zinc/16/20/51/303162051.db2.gz IOEYQNSUCAXQCQ-MJGOQNOKSA-N 2 0 344.503 1.623 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000295598919 303240250 /nfs/dbraw/zinc/24/02/50/303240250.db2.gz WYSUASVDGMRTFM-LJQANCHMSA-N 2 0 345.487 1.859 20 0 EDADRP [NH3+]C1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333576188 303358199 /nfs/dbraw/zinc/35/81/99/303358199.db2.gz SSTKFOBEQBEDJM-KBRKFKHCSA-N 2 0 332.492 1.391 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NCc1cnccc1OC ZINC000297233283 303376429 /nfs/dbraw/zinc/37/64/29/303376429.db2.gz GSPMZVVAKXQLIC-UHFFFAOYSA-N 2 0 338.452 1.590 20 0 EDADRP COCCOC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297555374 303412143 /nfs/dbraw/zinc/41/21/43/303412143.db2.gz GUDXXXSNLKLIMS-INIZCTEOSA-N 2 0 345.443 1.381 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccccc1O ZINC000298803078 303557857 /nfs/dbraw/zinc/55/78/57/303557857.db2.gz MJGGZPHIETWBEO-UHFFFAOYSA-N 2 0 337.464 1.503 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)Nc3cccc(OCC[NH+](C)C)c3)C[C@@H]21 ZINC000377763974 447344507 /nfs/dbraw/zinc/34/45/07/447344507.db2.gz HKXQGGVXJPLWKD-DLBZAZTESA-N 2 0 348.447 1.174 20 0 EDADRP C[C@@H]1COCCN1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720532 304879074 /nfs/dbraw/zinc/87/90/74/304879074.db2.gz SQGGIQTVMCMVBD-HHXXYDBFSA-N 2 0 331.460 1.553 20 0 EDADRP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101774 304886280 /nfs/dbraw/zinc/88/62/80/304886280.db2.gz JHOHOQYWYRIQNO-ODZKNYGOSA-N 2 0 348.487 1.990 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423113429 304887087 /nfs/dbraw/zinc/88/70/87/304887087.db2.gz YWLHLYWJQCYKLM-YNEHKIRRSA-N 2 0 331.507 1.474 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1CCC1 ZINC000423417571 304895181 /nfs/dbraw/zinc/89/51/81/304895181.db2.gz FWNUVRSHDFHGAZ-GOSISDBHSA-N 2 0 349.450 1.913 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423634226 304902606 /nfs/dbraw/zinc/90/26/06/304902606.db2.gz QGIPAAJNSYCNDA-RISCZKNCSA-N 2 0 344.381 1.272 20 0 EDADRP CC(C)CN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C1CC[NH+](C)CC1 ZINC000423767609 304909358 /nfs/dbraw/zinc/90/93/58/304909358.db2.gz WHQRAZLOOOISSS-UHFFFAOYSA-N 3 0 338.540 1.769 20 0 EDADRP Cc1cc(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc(C)c1O ZINC000423915403 304915808 /nfs/dbraw/zinc/91/58/08/304915808.db2.gz HIZPVPWTRNHYTP-UHFFFAOYSA-N 2 0 333.476 1.871 20 0 EDADRP Cc1ccc(-c2cnc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)o2)cc1 ZINC000430628859 305060174 /nfs/dbraw/zinc/06/01/74/305060174.db2.gz VSARKSNZBFBNSH-MRXNPFEDSA-N 2 0 342.443 1.937 20 0 EDADRP Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430643484 305061053 /nfs/dbraw/zinc/06/10/53/305061053.db2.gz RLARLECKUFSIHU-CABCVRRESA-N 2 0 332.448 1.109 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)COC1C[NH2+]C1 ZINC000430754339 305064234 /nfs/dbraw/zinc/06/42/34/305064234.db2.gz DOERGOOAQCDLGK-OAHLLOKOSA-N 2 0 331.460 1.666 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000430916642 305068016 /nfs/dbraw/zinc/06/80/16/305068016.db2.gz WKGSHVGRROLNEE-UHFFFAOYSA-N 2 0 333.480 1.141 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430923968 305068425 /nfs/dbraw/zinc/06/84/25/305068425.db2.gz HDRCZAVMZQXZSQ-SQWLQELKSA-N 2 0 347.459 1.390 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430937046 305069289 /nfs/dbraw/zinc/06/92/89/305069289.db2.gz YUKVDDIVAVPIPN-ZDUSSCGKSA-N 2 0 335.448 1.379 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000430950617 305070338 /nfs/dbraw/zinc/07/03/38/305070338.db2.gz IHYSXSIPYCSCDN-KDOFPFPSSA-N 2 0 349.450 1.785 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCc2cc(Cl)ccc2OC)CC1 ZINC000430966543 305071366 /nfs/dbraw/zinc/07/13/66/305071366.db2.gz OMIDQECZDDYGHM-UHFFFAOYSA-N 2 0 339.867 1.896 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034242 305073388 /nfs/dbraw/zinc/07/33/88/305073388.db2.gz UUJIIBZBBVPKPW-AWEZNQCLSA-N 2 0 344.459 1.449 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000431060228 305073974 /nfs/dbraw/zinc/07/39/74/305073974.db2.gz RJVVXDHSJXMIKA-QZTJIDSGSA-N 2 0 331.460 1.627 20 0 EDADRP COc1ccc(O[C@@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433125866 305101012 /nfs/dbraw/zinc/10/10/12/305101012.db2.gz MENPUQVWQXQGOC-HNNXBMFYSA-N 2 0 349.475 1.782 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000433122198 305101145 /nfs/dbraw/zinc/10/11/45/305101145.db2.gz UWADKCHJJLXMJW-SFHVURJKSA-N 2 0 333.476 1.490 20 0 EDADRP NC(=O)CCN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433129364 305101233 /nfs/dbraw/zinc/10/12/33/305101233.db2.gz ZENZHADNSPYEJH-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000433126042 305101303 /nfs/dbraw/zinc/10/13/03/305101303.db2.gz BALJPCYQMCMWHY-KRWDZBQOSA-N 2 0 344.503 1.832 20 0 EDADRP Cn1c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2oc1=O ZINC000433142234 305101500 /nfs/dbraw/zinc/10/15/00/305101500.db2.gz SLCVFSOVPZNEFB-UHFFFAOYSA-N 2 0 332.404 1.273 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cccc(F)c2F)CC1 ZINC000433156351 305102047 /nfs/dbraw/zinc/10/20/47/305102047.db2.gz AXCOERMPOKZTIF-UHFFFAOYSA-N 2 0 325.403 1.827 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433161582 305102083 /nfs/dbraw/zinc/10/20/83/305102083.db2.gz KKKHLBVTAZZOQL-RDJZCZTQSA-N 2 0 325.497 1.901 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433394230 305107601 /nfs/dbraw/zinc/10/76/01/305107601.db2.gz LBNMKXRJBSTTKF-MRXNPFEDSA-N 2 0 348.495 1.589 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000434887900 305132481 /nfs/dbraw/zinc/13/24/81/305132481.db2.gz QQYCFAPVEMLLOS-CYBMUJFWSA-N 2 0 329.510 1.087 20 0 EDADRP CCNC(=O)COc1ccc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1OC ZINC000435373507 305139273 /nfs/dbraw/zinc/13/92/73/305139273.db2.gz DUNJBKNWPRXLBT-CQSZACIVSA-N 2 0 349.475 1.769 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(=O)N1CCCC1 ZINC000435375419 305139307 /nfs/dbraw/zinc/13/93/07/305139307.db2.gz UYCSGOZLNRLYKM-HZPDHXFCSA-N 2 0 331.460 1.857 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000435393063 305139659 /nfs/dbraw/zinc/13/96/59/305139659.db2.gz YPGMFKTVFOBNHN-ARFHVFGLSA-N 2 0 347.459 1.379 20 0 EDADRP NC(=O)NC(=O)CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692787 305145563 /nfs/dbraw/zinc/14/55/63/305145563.db2.gz KEDHZDUFJXRSLW-CYBMUJFWSA-N 2 0 336.461 1.277 20 0 EDADRP CC1=CC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000436383930 305156460 /nfs/dbraw/zinc/15/64/60/305156460.db2.gz DXARZKYTUNEOTR-MRXNPFEDSA-N 2 0 338.496 1.125 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000440980995 305215672 /nfs/dbraw/zinc/21/56/72/305215672.db2.gz NMFAUSNBWAHYNZ-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN(C)CC[C@@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000441330603 305220887 /nfs/dbraw/zinc/22/08/87/305220887.db2.gz LXYZLCASLHAIDP-ZJPYXAASSA-N 2 0 327.513 1.263 20 0 EDADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443074270 305234577 /nfs/dbraw/zinc/23/45/77/305234577.db2.gz QBUQANQBDKYTRE-KRWDZBQOSA-N 2 0 333.476 1.975 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000443673572 305240869 /nfs/dbraw/zinc/24/08/69/305240869.db2.gz ICZGFIOVQBVYLT-BRWVUGGUSA-N 2 0 325.497 1.866 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000444241490 305244542 /nfs/dbraw/zinc/24/45/42/305244542.db2.gz FLTMVTILUCLODA-SFHVURJKSA-N 2 0 334.423 1.957 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000446364342 305263788 /nfs/dbraw/zinc/26/37/88/305263788.db2.gz UANXDRSKUWQVTH-AXVVYFOYSA-N 2 0 349.519 1.853 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)Cc1ccccc1 ZINC000446572162 305267069 /nfs/dbraw/zinc/26/70/69/305267069.db2.gz MSWHGSNLUCMBNI-GOSISDBHSA-N 2 0 348.491 1.181 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446617821 305268173 /nfs/dbraw/zinc/26/81/73/305268173.db2.gz PPCCWGFLXYHWNL-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1C[C@@H](O)C[NH+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000447264437 305276493 /nfs/dbraw/zinc/27/64/93/305276493.db2.gz BIMIWKHFCSYFPA-JSALWVARSA-N 2 0 342.524 1.310 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000448253065 305294534 /nfs/dbraw/zinc/29/45/34/305294534.db2.gz VIJHWMYNYHZRJA-JKSUJKDBSA-N 2 0 340.512 1.253 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449332392 305311767 /nfs/dbraw/zinc/31/17/67/305311767.db2.gz DBVABKLDCMPUFL-LJQANCHMSA-N 2 0 331.460 1.145 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000452169534 305385556 /nfs/dbraw/zinc/38/55/56/305385556.db2.gz GEINFWOSYRWYBA-MAUKXSAKSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000419687650 447349605 /nfs/dbraw/zinc/34/96/05/447349605.db2.gz YZWIFCMQDGZCLU-OAHLLOKOSA-N 2 0 338.496 1.002 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458410226 447350699 /nfs/dbraw/zinc/35/06/99/447350699.db2.gz FLFHUSHFNHVDGJ-DLBZAZTESA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1COCC1(C)C ZINC000459211802 305514932 /nfs/dbraw/zinc/51/49/32/305514932.db2.gz XLDRHTAQEFIBRX-OAHLLOKOSA-N 2 0 328.501 1.326 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000491906694 305581308 /nfs/dbraw/zinc/58/13/08/305581308.db2.gz QDADDVRRXKEZGC-RUJXFNLJSA-N 2 0 330.476 1.209 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC[N@@H+]1CCOC ZINC000377779849 447352898 /nfs/dbraw/zinc/35/28/98/447352898.db2.gz PVICVLCGPHNHEO-ZACQAIPSSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCCNC(=O)/C=C/c1ccccc1 ZINC000493089094 305613961 /nfs/dbraw/zinc/61/39/61/305613961.db2.gz IPDPRDCVQJAKOJ-LAGRNVKPSA-N 2 0 331.460 1.548 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673168 305701858 /nfs/dbraw/zinc/70/18/58/305701858.db2.gz XOLCUNHISBPTGL-KBPBESRZSA-N 2 0 339.480 1.297 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000529335532 305910075 /nfs/dbraw/zinc/91/00/75/305910075.db2.gz BHHFWLRTPSOWBR-MRXNPFEDSA-N 2 0 338.496 1.400 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]cc2C(N)=O)cc1 ZINC000545158727 306080724 /nfs/dbraw/zinc/08/07/24/306080724.db2.gz RXCMCPCQAXIAMC-UHFFFAOYSA-N 2 0 328.416 1.197 20 0 EDADRP CC(C)O[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000545944953 306088128 /nfs/dbraw/zinc/08/81/28/306088128.db2.gz BZAYUELCRKKKHL-JKSUJKDBSA-N 2 0 342.528 1.713 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000546735772 306095801 /nfs/dbraw/zinc/09/58/01/306095801.db2.gz YZCMMYSJOWFPOL-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000551739250 306160790 /nfs/dbraw/zinc/16/07/90/306160790.db2.gz YUMFITBMTVLBQG-OALUTQOASA-N 2 0 347.503 1.718 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000551891739 306165933 /nfs/dbraw/zinc/16/59/33/306165933.db2.gz CSUVZJWQYKPYTA-XWTMOSNGSA-N 2 0 334.508 1.240 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000551891738 306166078 /nfs/dbraw/zinc/16/60/78/306166078.db2.gz CSUVZJWQYKPYTA-XMTFNYHQSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+](C)CCCCC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000552118843 306175367 /nfs/dbraw/zinc/17/53/67/306175367.db2.gz ZJCAMPMAENDTOJ-UHFFFAOYSA-N 2 0 348.447 1.827 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596788 306203708 /nfs/dbraw/zinc/20/37/08/306203708.db2.gz DNSRBTDGYUHKDZ-HXUWFJFHSA-N 2 0 343.471 1.793 20 0 EDADRP C[C@H](Cn1ncc2ccccc21)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556829954 306219243 /nfs/dbraw/zinc/21/92/43/306219243.db2.gz VNRZLWIBEXTAHQ-MRXNPFEDSA-N 2 0 345.491 1.624 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000557223339 306226728 /nfs/dbraw/zinc/22/67/28/306226728.db2.gz FPCDSVVTQJNMMF-UHFFFAOYSA-N 2 0 339.528 1.091 20 0 EDADRP COCCCn1nccc1C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415112948 447390399 /nfs/dbraw/zinc/39/03/99/447390399.db2.gz TULCKNATPBUHJR-QZTJIDSGSA-N 2 0 336.480 1.638 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000415211877 447399532 /nfs/dbraw/zinc/39/95/32/447399532.db2.gz JUSXYQIDCLVHOH-UHFFFAOYSA-N 2 0 336.484 1.879 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527080 447400578 /nfs/dbraw/zinc/40/05/78/447400578.db2.gz SKNWXIXALOZWGQ-ZNMIVQPWSA-N 2 0 328.501 1.059 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000665553169 453744633 /nfs/dbraw/zinc/74/46/33/453744633.db2.gz PKTKTBZBCGLZNI-CABCVRRESA-N 2 0 326.485 1.005 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211401 447408657 /nfs/dbraw/zinc/40/86/57/447408657.db2.gz PUQDIUHDTWWXQR-CRAIPNDOSA-N 2 0 327.472 1.907 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)OCCO2 ZINC000057157356 441093849 /nfs/dbraw/zinc/09/38/49/441093849.db2.gz JIIQYPNIZAGVBC-UHFFFAOYSA-N 2 0 349.475 1.803 20 0 EDADRP Cc1nn(-c2ccccc2)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213342 441178335 /nfs/dbraw/zinc/17/83/35/441178335.db2.gz GQHVDQOVXGVRHG-UHFFFAOYSA-N 2 0 343.475 1.746 20 0 EDADRP CCOc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000104102472 441189893 /nfs/dbraw/zinc/18/98/93/441189893.db2.gz LMVALPKJTFCAQM-UHFFFAOYSA-N 2 0 343.493 1.199 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000105134355 441237532 /nfs/dbraw/zinc/23/75/32/441237532.db2.gz PJQLMWOIZOWLBJ-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000105173715 441239991 /nfs/dbraw/zinc/23/99/91/441239991.db2.gz BUVFWOIUFRGVTB-FUHWJXTLSA-N 2 0 342.528 1.717 20 0 EDADRP Cc1cc(F)cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000080739273 441193634 /nfs/dbraw/zinc/19/36/34/441193634.db2.gz KYLMAWFIBOWWGP-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000072713360 441253091 /nfs/dbraw/zinc/25/30/91/441253091.db2.gz NBQYOZDWMPYLSO-XYJFISCASA-N 2 0 333.476 1.468 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000105441187 441255791 /nfs/dbraw/zinc/25/57/91/441255791.db2.gz ZBYBQIGHDXVTPA-OAHLLOKOSA-N 2 0 344.507 1.640 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000415436404 447438726 /nfs/dbraw/zinc/43/87/26/447438726.db2.gz KAKBPWSFWHZDIS-GOEBONIOSA-N 2 0 346.475 1.315 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073639293 441337195 /nfs/dbraw/zinc/33/71/95/441337195.db2.gz XDIRRKYIPTZTKV-QGZVFWFLSA-N 2 0 346.519 1.894 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000073290363 441307220 /nfs/dbraw/zinc/30/72/20/441307220.db2.gz KTCGXWIEDKQGNB-QGZVFWFLSA-N 2 0 335.492 1.718 20 0 EDADRP CCC[NH+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000073364677 441313034 /nfs/dbraw/zinc/31/30/34/441313034.db2.gz YDUHURXSMIBBNR-UHFFFAOYSA-N 2 0 345.491 1.148 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000063824682 441356415 /nfs/dbraw/zinc/35/64/15/441356415.db2.gz WUKKXDVDFGEVIQ-IRXDYDNUSA-N 2 0 331.460 1.984 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000065441867 441435122 /nfs/dbraw/zinc/43/51/22/441435122.db2.gz XFOKVZBDRAGFCU-MRXNPFEDSA-N 2 0 331.464 1.644 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000085391114 441437565 /nfs/dbraw/zinc/43/75/65/441437565.db2.gz RHPJHKPJFOXRPS-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000075675894 441547900 /nfs/dbraw/zinc/54/79/00/441547900.db2.gz BVSFMAHJCDCGGI-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835504 441558000 /nfs/dbraw/zinc/55/80/00/441558000.db2.gz CXZUGTXOOPYXRS-SQNIBIBYSA-N 2 0 326.481 1.351 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000076083694 441595235 /nfs/dbraw/zinc/59/52/35/441595235.db2.gz IPOSSHLOECOQGY-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000113349160 441602519 /nfs/dbraw/zinc/60/25/19/441602519.db2.gz JDKADKLWKRQPMP-AWEZNQCLSA-N 2 0 328.478 1.540 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000039051568 441616677 /nfs/dbraw/zinc/61/66/77/441616677.db2.gz LTQYROHLIRXKDM-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113645465 441622026 /nfs/dbraw/zinc/62/20/26/441622026.db2.gz YKRVEFFTEOLJSC-INIZCTEOSA-N 2 0 346.475 1.139 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000121784479 441779287 /nfs/dbraw/zinc/77/92/87/441779287.db2.gz OZUZCURTEXFYSD-APWZRJJASA-N 2 0 344.503 1.776 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856944 441826845 /nfs/dbraw/zinc/82/68/45/441826845.db2.gz SJNUDQWHQNFHKW-CJNGLKHVSA-N 2 0 330.432 1.140 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000077752249 441846826 /nfs/dbraw/zinc/84/68/26/441846826.db2.gz SKGDSZOREYTDOV-UHFFFAOYSA-N 3 0 341.544 1.386 20 0 EDADRP CC[N@H+](CCS(C)(=O)=O)CC1CCN(c2ccccn2)CC1 ZINC000174394545 441921518 /nfs/dbraw/zinc/92/15/18/441921518.db2.gz XHKFUSHAPZEJNX-UHFFFAOYSA-N 2 0 325.478 1.665 20 0 EDADRP CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123176557 441878905 /nfs/dbraw/zinc/87/89/05/441878905.db2.gz WSIASBMMOKKPRS-OAGGEKHMSA-N 2 0 339.480 1.345 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C[C@H](C)O1 ZINC000069016971 441879778 /nfs/dbraw/zinc/87/97/78/441879778.db2.gz RROPTJWBFDYDEP-HOTGVXAUSA-N 2 0 337.508 1.676 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775954 441968515 /nfs/dbraw/zinc/96/85/15/441968515.db2.gz JSZRGOALAQROGH-CRAIPNDOSA-N 2 0 333.476 1.974 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000078500695 441937651 /nfs/dbraw/zinc/93/76/51/441937651.db2.gz WMZNYJPEIAPZIN-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CN1C1CC1 ZINC000119933004 441978335 /nfs/dbraw/zinc/97/83/35/441978335.db2.gz PYAKSYCOYYOGMU-MAUKXSAKSA-N 2 0 344.503 1.693 20 0 EDADRP CC[C@H](C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000124764191 441951308 /nfs/dbraw/zinc/95/13/08/441951308.db2.gz NGWYUFCPRFIFGM-LJQANCHMSA-N 2 0 346.519 1.964 20 0 EDADRP CC[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000124768223 441951455 /nfs/dbraw/zinc/95/14/55/441951455.db2.gz QMHARQTVIMCPEU-GOSISDBHSA-N 2 0 332.492 1.655 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000069645802 441999420 /nfs/dbraw/zinc/99/94/20/441999420.db2.gz DJZQZNUWILWHDO-UHFFFAOYSA-N 2 0 335.492 1.827 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000175260284 442027744 /nfs/dbraw/zinc/02/77/44/442027744.db2.gz VTUPZEUHCNCFNJ-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000079568549 442062581 /nfs/dbraw/zinc/06/25/81/442062581.db2.gz XRRZEKOKTSFRPY-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000162201878 442073095 /nfs/dbraw/zinc/07/30/95/442073095.db2.gz MFDKMRNFMPMUSA-MRXNPFEDSA-N 2 0 345.487 1.790 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000175758158 442117410 /nfs/dbraw/zinc/11/74/10/442117410.db2.gz QURHZHXGQSQQGN-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000151778515 442118380 /nfs/dbraw/zinc/11/83/80/442118380.db2.gz FRGNJXBCKQCUBP-UXPWSPDFSA-N 2 0 331.504 1.726 20 0 EDADRP CC(C)OC[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175797093 442124823 /nfs/dbraw/zinc/12/48/23/442124823.db2.gz ZTLOOQOFILTTEQ-SCTDSRPQSA-N 2 0 342.524 1.984 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126385510 442106001 /nfs/dbraw/zinc/10/60/01/442106001.db2.gz SURMAEFZTKKAAD-ZDUSSCGKSA-N 2 0 325.478 1.587 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC1CCN(c2ccc(C)cn2)CC1 ZINC000176441357 442222867 /nfs/dbraw/zinc/22/28/67/442222867.db2.gz YFRYLMSCDYKJQL-UHFFFAOYSA-N 2 0 349.479 1.236 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000152542185 442223924 /nfs/dbraw/zinc/22/39/24/442223924.db2.gz APAWICXCTNHMOU-AWEZNQCLSA-N 2 0 328.501 1.061 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000168948565 442225546 /nfs/dbraw/zinc/22/55/46/442225546.db2.gz GKWPAPIABLAPTL-KRWDZBQOSA-N 2 0 335.492 1.736 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCC[NH+](C)CCCOC ZINC000176550680 442233133 /nfs/dbraw/zinc/23/31/33/442233133.db2.gz VIDPSJJTJRXLEJ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000128836636 442291191 /nfs/dbraw/zinc/29/11/91/442291191.db2.gz LMZDKUCMLWRBAI-MRXNPFEDSA-N 2 0 331.464 1.644 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000177129354 442302041 /nfs/dbraw/zinc/30/20/41/442302041.db2.gz BAULTQYWWWXMNB-IBGZPJMESA-N 2 0 346.519 1.822 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129632965 442325824 /nfs/dbraw/zinc/32/58/24/442325824.db2.gz SGHTUAKVDJJEKT-WMZOPIPTSA-N 3 0 347.507 1.755 20 0 EDADRP Cc1ccnc(N2CCN(C(=O)[C@H]3CCn4cncc4C3)CC2)c1 ZINC000153928999 442311478 /nfs/dbraw/zinc/31/14/78/442311478.db2.gz MKBXUBPXSATXFQ-HNNXBMFYSA-N 2 0 325.416 1.498 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000171126092 442317137 /nfs/dbraw/zinc/31/71/37/442317137.db2.gz CYKYFFCMOKWUAW-UHFFFAOYSA-N 2 0 346.475 1.405 20 0 EDADRP C[C@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)N1CCSCC1 ZINC000130978236 442361235 /nfs/dbraw/zinc/36/12/35/442361235.db2.gz CSKVBCWMLNCYMV-OAHLLOKOSA-N 2 0 333.501 1.598 20 0 EDADRP C[NH+](C)CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000133434998 442418464 /nfs/dbraw/zinc/41/84/64/442418464.db2.gz FNUQZIPZEVDGEW-UHFFFAOYSA-N 2 0 333.480 1.060 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000172326503 442444856 /nfs/dbraw/zinc/44/48/56/442444856.db2.gz DODYFBQFOHYYIH-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000178876587 442510984 /nfs/dbraw/zinc/51/09/84/442510984.db2.gz JNKAOQMDOQIFKL-IBGZPJMESA-N 2 0 346.519 1.828 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000179854515 442512407 /nfs/dbraw/zinc/51/24/07/442512407.db2.gz BREOGXJYGUKCHK-GJYPPUQNSA-N 2 0 347.503 1.874 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CCCC2(C)C)C1 ZINC000191857688 442526341 /nfs/dbraw/zinc/52/63/41/442526341.db2.gz AURNJQBQRTYREP-JKSUJKDBSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@H](C)CC2)C1 ZINC000192183532 442608858 /nfs/dbraw/zinc/60/88/58/442608858.db2.gz YAEZCXWOIPXDSJ-HZPDHXFCSA-N 2 0 343.537 1.287 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC000186952116 442636372 /nfs/dbraw/zinc/63/63/72/442636372.db2.gz DRYQPFQGUWRTFY-OAHLLOKOSA-N 2 0 333.476 1.665 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015046 442645137 /nfs/dbraw/zinc/64/51/37/442645137.db2.gz FPCBAJSWESHXOO-UKRRQHHQSA-N 2 0 338.452 1.648 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012107 442645302 /nfs/dbraw/zinc/64/53/02/442645302.db2.gz FAILNAPYPNXBGM-KSZLIROESA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000173148378 442611861 /nfs/dbraw/zinc/61/18/61/442611861.db2.gz OUWGZSIOYKHXQE-KRWDZBQOSA-N 2 0 325.497 1.770 20 0 EDADRP CCN(CC)C(=O)[C@@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192726258 442680727 /nfs/dbraw/zinc/68/07/27/442680727.db2.gz IXOJYOOUXYHFTQ-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CSC[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000187929989 442698170 /nfs/dbraw/zinc/69/81/70/442698170.db2.gz JAUGLHNOGFUVSE-UXLLHSPISA-N 2 0 330.538 1.922 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000193292730 442729969 /nfs/dbraw/zinc/72/99/69/442729969.db2.gz VSKLRLZFTFOEQR-IRXDYDNUSA-N 2 0 342.528 1.619 20 0 EDADRP Cc1cc(=O)n2nc(C[NH+]3CCC(CC[NH+](C)C)CC3)sc2n1 ZINC000193433363 442742591 /nfs/dbraw/zinc/74/25/91/442742591.db2.gz NTZAVXOTDVMFEQ-UHFFFAOYSA-N 2 0 335.477 1.623 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000267987444 442807923 /nfs/dbraw/zinc/80/79/23/442807923.db2.gz PPWDGDDLDYCDQU-ZWKOTPCHSA-N 2 0 335.492 1.632 20 0 EDADRP COC(=O)[C@]1(C)CC[N@H+](C[C@@H](C)C[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246604741 442796933 /nfs/dbraw/zinc/79/69/33/442796933.db2.gz UPJYSWGLNNYGQF-GJWQZFMSSA-N 2 0 340.464 1.393 20 0 EDADRP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000246416003 442779968 /nfs/dbraw/zinc/77/99/68/442779968.db2.gz VGCOKIAKOMHGRZ-HZPDHXFCSA-N 2 0 331.526 1.322 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000182708610 442810646 /nfs/dbraw/zinc/81/06/46/442810646.db2.gz DUKRGFHDLRSYCO-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000268142444 442867740 /nfs/dbraw/zinc/86/77/40/442867740.db2.gz RIXRNOYOCWRZOP-HNAYVOBHSA-N 2 0 342.487 1.827 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1(C)C ZINC000249077915 442949303 /nfs/dbraw/zinc/94/93/03/442949303.db2.gz OYYRBJSKGPGLJY-FCEWJHQRSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249176409 442959465 /nfs/dbraw/zinc/95/94/65/442959465.db2.gz ZIVARMYZHIHUFZ-BZUAXINKSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000189562943 442979084 /nfs/dbraw/zinc/97/90/84/442979084.db2.gz QZSNEHDLASJOKU-KRWDZBQOSA-N 2 0 334.464 1.311 20 0 EDADRP C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184582062 443043984 /nfs/dbraw/zinc/04/39/84/443043984.db2.gz OSLWDLRXZZOHPR-JQHSSLGASA-N 2 0 333.476 1.641 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)NCCC[N@H+](C)C(C)C)c1 ZINC000268749902 443096771 /nfs/dbraw/zinc/09/67/71/443096771.db2.gz HDDHLRPPQSDBRL-CQSZACIVSA-N 2 0 327.494 1.976 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CCOCC2)CC1 ZINC000236799842 443148059 /nfs/dbraw/zinc/14/80/59/443148059.db2.gz GILOOXWPOXHTMY-UHFFFAOYSA-N 2 0 346.519 1.640 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CC[NH+](C)C2CC2)C[C@H](C)O1 ZINC000185108694 443138916 /nfs/dbraw/zinc/13/89/16/443138916.db2.gz PVXXSEJCUUDVQY-GASCZTMLSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000185111435 443140108 /nfs/dbraw/zinc/14/01/08/443140108.db2.gz MGYDDDWGDMGLFR-OTWHNJEPSA-N 2 0 342.487 1.243 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)CC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261908540 443173992 /nfs/dbraw/zinc/17/39/92/443173992.db2.gz WDZMDUVTJPMMKY-DOTOQJQBSA-N 2 0 325.497 1.629 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1 ZINC000262374032 443191917 /nfs/dbraw/zinc/19/19/17/443191917.db2.gz XRMDAHZPAKLPQP-GOEBONIOSA-N 2 0 329.510 1.122 20 0 EDADRP C[C@@H](O)CC[N@H+](C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000266639748 443194355 /nfs/dbraw/zinc/19/43/55/443194355.db2.gz AKNAUFMMOWRVAF-IAGOWNOFSA-N 2 0 347.503 1.858 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000238081890 443194313 /nfs/dbraw/zinc/19/43/13/443194313.db2.gz ZENKTPZLXAYPDP-HOTGVXAUSA-N 2 0 325.522 1.949 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000299539120 318912403 /nfs/dbraw/zinc/91/24/03/318912403.db2.gz WARZLNCKTVQYPA-INIZCTEOSA-N 2 0 332.492 1.897 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236975717 443154475 /nfs/dbraw/zinc/15/44/75/443154475.db2.gz VTEYUMUKFFNUTM-QAPCUYQASA-N 2 0 330.476 1.016 20 0 EDADRP COC(=O)[C@]1(C)CC[N@H+](CC[C@@H](C)[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704174 443246344 /nfs/dbraw/zinc/24/63/44/443246344.db2.gz WQLCBOSFAFBAPO-OLMNPRSZSA-N 2 0 340.464 1.535 20 0 EDADRP Cc1cncc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414194107 319318967 /nfs/dbraw/zinc/31/89/67/319318967.db2.gz NGDLOGXFSMSCKT-KRWDZBQOSA-N 2 0 332.492 1.837 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000414653732 319336761 /nfs/dbraw/zinc/33/67/61/319336761.db2.gz BKKMODALHYBWDD-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000414681145 319341045 /nfs/dbraw/zinc/34/10/45/319341045.db2.gz ZNMJAWNJZAOJCW-AWEZNQCLSA-N 2 0 334.464 1.880 20 0 EDADRP COc1ccc(-c2n[nH]cc2C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414777081 319343642 /nfs/dbraw/zinc/34/36/42/319343642.db2.gz GCIVQSWWJFKYKI-UHFFFAOYSA-N 2 0 329.448 1.470 20 0 EDADRP CC[C@H](C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccccc1C ZINC000415082325 319345938 /nfs/dbraw/zinc/34/59/38/319345938.db2.gz OEYWYCKJRIRUFM-IAGOWNOFSA-N 2 0 333.476 1.939 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1([NH3+])CCCCC1 ZINC000415242807 319356149 /nfs/dbraw/zinc/35/61/49/319356149.db2.gz URFUJZXIRJRSOF-UHFFFAOYSA-N 2 0 347.463 1.630 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1C[NH+](C)C ZINC000415852777 319377864 /nfs/dbraw/zinc/37/78/64/319377864.db2.gz RPSYUFWZDLXFQD-BBRMVZONSA-N 2 0 346.475 1.438 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nc2c(s1)CCC2 ZINC000416155225 319392955 /nfs/dbraw/zinc/39/29/55/319392955.db2.gz CSTALQKGTIVAJJ-UHFFFAOYSA-N 2 0 338.521 1.977 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C)C[C@H]2C)C[C@H](C)O1 ZINC000246160721 443274393 /nfs/dbraw/zinc/27/43/93/443274393.db2.gz DYDLIOZAVFXTEO-WCXIOVBPSA-N 2 0 340.512 1.467 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000416827485 319464349 /nfs/dbraw/zinc/46/43/49/319464349.db2.gz CTCBAHACHLSBLL-GDBMZVCRSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416852577 319467012 /nfs/dbraw/zinc/46/70/12/319467012.db2.gz SHDAKAGYHGRRBN-INIZCTEOSA-N 2 0 334.464 1.741 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000417482037 319496234 /nfs/dbraw/zinc/49/62/34/319496234.db2.gz ORDWKMYLSGEEIZ-MRXNPFEDSA-N 2 0 334.464 1.426 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501094 319502575 /nfs/dbraw/zinc/50/25/75/319502575.db2.gz QQQDLQKOWMTXGA-INIZCTEOSA-N 2 0 340.418 1.775 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000418860237 319526861 /nfs/dbraw/zinc/52/68/61/319526861.db2.gz LULGFAZETCFCEB-IRXDYDNUSA-N 2 0 346.475 1.054 20 0 EDADRP C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000267200498 443376263 /nfs/dbraw/zinc/37/62/63/443376263.db2.gz DBSXZUGDBMZHFE-QGZVFWFLSA-N 2 0 346.519 1.649 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422626874 319722241 /nfs/dbraw/zinc/72/22/41/319722241.db2.gz LSPVEONYUPHOST-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423305945 319762393 /nfs/dbraw/zinc/76/23/93/319762393.db2.gz CTRANJLKNSVQQV-MRXNPFEDSA-N 2 0 347.507 1.739 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000423305093 319762481 /nfs/dbraw/zinc/76/24/81/319762481.db2.gz AYRFGNJKDDQWCX-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388364 319769567 /nfs/dbraw/zinc/76/95/67/319769567.db2.gz KNRRHKNMTNWFFG-CWRNSKLLSA-N 2 0 344.425 1.371 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396425 319771109 /nfs/dbraw/zinc/77/11/09/319771109.db2.gz RPBDHSKCJSWBHC-ABAIWWIYSA-N 3 0 345.413 1.335 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537532 319782845 /nfs/dbraw/zinc/78/28/45/319782845.db2.gz KIKMYBFKZJNGQM-LBPRGKRZSA-N 2 0 340.265 1.899 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000273055662 443530059 /nfs/dbraw/zinc/53/00/59/443530059.db2.gz IFUWXXVYQKPBTH-KBAYOESNSA-N 2 0 331.460 1.516 20 0 EDADRP NC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000273401602 443570927 /nfs/dbraw/zinc/57/09/27/443570927.db2.gz KOYUHDYALHMART-IBGZPJMESA-N 2 0 338.455 1.984 20 0 EDADRP CN(C)C(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433166020 319973499 /nfs/dbraw/zinc/97/34/99/319973499.db2.gz JKCFUUPJWYLVNK-UHFFFAOYSA-N 2 0 346.475 1.208 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000436068468 320018620 /nfs/dbraw/zinc/01/86/20/320018620.db2.gz WDVBLJLKTGMICU-DLBZAZTESA-N 2 0 344.503 1.581 20 0 EDADRP O=C(CC1(O)CCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000448836989 320161203 /nfs/dbraw/zinc/16/12/03/320161203.db2.gz RCMKFGZLQXVNLS-UHFFFAOYSA-N 2 0 332.448 1.015 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(=O)NC)cc2)CC1 ZINC000449749123 320204382 /nfs/dbraw/zinc/20/43/82/320204382.db2.gz DVYGTZGWGCXQOJ-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290972812 443723888 /nfs/dbraw/zinc/72/38/88/443723888.db2.gz XPUVZJIAQMTGJO-HZPDHXFCSA-N 2 0 329.448 1.815 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCC[NH2+]C(C)C)cc1 ZINC000520772126 320479897 /nfs/dbraw/zinc/47/98/97/320479897.db2.gz SUFAWCNMRXNEPM-QGZVFWFLSA-N 2 0 336.480 1.985 20 0 EDADRP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241916 320617160 /nfs/dbraw/zinc/61/71/60/320617160.db2.gz RTKOBOPYXJONSM-ZBFHGGJFSA-N 2 0 325.497 1.770 20 0 EDADRP Cn1cc(-c2cc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)on2)cn1 ZINC000530242940 320617174 /nfs/dbraw/zinc/61/71/74/320617174.db2.gz VUWNJXFUBSXCHT-MRXNPFEDSA-N 2 0 345.447 1.666 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](O)C12CCCC2)c1ccccc1 ZINC000292831223 443854737 /nfs/dbraw/zinc/85/47/37/443854737.db2.gz UDXPORUJCUSCHC-MSOLQXFVSA-N 2 0 345.487 1.785 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000559808559 321016292 /nfs/dbraw/zinc/01/62/92/321016292.db2.gz LROVHAXBNMZHMO-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CN1CCC(CNC(=O)N2CCC[C@@H]([NH3+])C2)([NH+]2CCCCC2)CC1 ZINC000562803802 321077062 /nfs/dbraw/zinc/07/70/62/321077062.db2.gz CAWWAEMINNDLSJ-MRXNPFEDSA-N 2 0 337.512 1.069 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000563545557 321111297 /nfs/dbraw/zinc/11/12/97/321111297.db2.gz CELGQPTWJAPUCK-ROUUACIJSA-N 2 0 346.475 1.501 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@@H+]1CCOC ZINC000563888066 321114841 /nfs/dbraw/zinc/11/48/41/321114841.db2.gz GSTPZIKNNWBNQD-YQVWRLOYSA-N 2 0 337.508 1.726 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299592752 444089890 /nfs/dbraw/zinc/08/98/90/444089890.db2.gz WMOQXHWOJGRTKD-SFHVURJKSA-N 2 0 330.476 1.857 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@H](C)C1 ZINC000564442828 321131684 /nfs/dbraw/zinc/13/16/84/321131684.db2.gz BDGLVEKUIVCOLV-MDYRTPRTSA-N 2 0 343.471 1.870 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000565597732 321192662 /nfs/dbraw/zinc/19/26/62/321192662.db2.gz UOESSJNNFGVHEY-QGZVFWFLSA-N 2 0 334.464 1.222 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000566302674 321225901 /nfs/dbraw/zinc/22/59/01/321225901.db2.gz HEMUCUMFOGLUFL-QZTJIDSGSA-N 3 0 338.540 1.103 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000567845020 321262389 /nfs/dbraw/zinc/26/23/89/321262389.db2.gz HQAKZNIDKASWPU-NPYXIHBLSA-N 2 0 329.444 1.398 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000567983708 321271332 /nfs/dbraw/zinc/27/13/32/321271332.db2.gz OSOSEMYQLGHTNJ-MOPGFXCFSA-N 2 0 344.503 1.622 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2cccc3cccnc32)C[C@H](C)O1 ZINC000568501176 321294602 /nfs/dbraw/zinc/29/46/02/321294602.db2.gz FVSMEKWZGFUTBY-JTDSTZFVSA-N 2 0 343.471 1.837 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000568738811 321303806 /nfs/dbraw/zinc/30/38/06/321303806.db2.gz WPQKXXMPTIBMET-INDMIFKZSA-N 2 0 342.487 1.887 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708587 321354804 /nfs/dbraw/zinc/35/48/04/321354804.db2.gz BOGZAYCRLVZVGS-OKZBNKHCSA-N 2 0 339.524 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnn1 ZINC000278306974 444135074 /nfs/dbraw/zinc/13/50/74/444135074.db2.gz DKSPWQHSUGDWQY-MRXNPFEDSA-N 2 0 334.468 1.034 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[NH2+]CCOCC[NH+](C)C)c2cc1C ZINC000574512201 321486793 /nfs/dbraw/zinc/48/67/93/321486793.db2.gz MKSHKXNNMONJMK-MRXNPFEDSA-N 2 0 334.464 1.182 20 0 EDADRP COc1ccc(F)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000295471674 444184959 /nfs/dbraw/zinc/18/49/59/444184959.db2.gz WORCPAIVKCLRGF-UHFFFAOYSA-N 2 0 337.439 1.724 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000576157874 321544423 /nfs/dbraw/zinc/54/44/23/321544423.db2.gz UOULGUYCKBYWBH-NVXWUHKLSA-N 2 0 342.447 1.063 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000576272496 321552336 /nfs/dbraw/zinc/55/23/36/321552336.db2.gz ZWTBMLLNKOHOIJ-APWZRJJASA-N 2 0 331.504 1.997 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290218218 444255576 /nfs/dbraw/zinc/25/55/76/444255576.db2.gz STAKVZDVXZWJMU-MSOLQXFVSA-N 3 0 345.491 1.098 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000305223426 444266278 /nfs/dbraw/zinc/26/62/78/444266278.db2.gz UVVPZUWNGPQHTL-ZWKOTPCHSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000290102462 444242452 /nfs/dbraw/zinc/24/24/52/444242452.db2.gz XVEMJFJEISPTEQ-IEBWSBKVSA-N 2 0 344.503 1.703 20 0 EDADRP Cc1nccn1CC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000297669320 444316287 /nfs/dbraw/zinc/31/62/87/444316287.db2.gz JKEIDDPDPVFEMM-UHFFFAOYSA-N 2 0 330.432 1.491 20 0 EDADRP CC(C)CCOCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000321959680 444338027 /nfs/dbraw/zinc/33/80/27/444338027.db2.gz XKKAJUDBGVRJJI-IAGOWNOFSA-N 2 0 325.497 1.629 20 0 EDADRP CCCn1cc(CN2CCCN(C(=O)Cn3ccnc3C)CC2)cn1 ZINC000297935319 444362509 /nfs/dbraw/zinc/36/25/09/444362509.db2.gz VBDFBWMHYRSVAV-UHFFFAOYSA-N 2 0 344.463 1.533 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000578425177 321771655 /nfs/dbraw/zinc/77/16/55/321771655.db2.gz PFBRZJGOSVTOHR-SJORKVTESA-N 2 0 346.475 1.520 20 0 EDADRP Cc1cc2ncc([C@H](C)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)c(C)n2n1 ZINC000325810969 444369571 /nfs/dbraw/zinc/36/95/71/444369571.db2.gz KEBHZKAGUSYRAY-IMJJTQAJSA-N 2 0 329.448 1.860 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000337726575 444376593 /nfs/dbraw/zinc/37/65/93/444376593.db2.gz UJJVSONAZGHODN-GOSISDBHSA-N 2 0 330.476 1.556 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CN1C1CC1 ZINC000290836131 444328515 /nfs/dbraw/zinc/32/85/15/444328515.db2.gz YBJXMNMOADOGCT-DFHBCGBQSA-N 2 0 349.500 1.926 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1)C(=O)OC ZINC000320673734 444331794 /nfs/dbraw/zinc/33/17/94/444331794.db2.gz LSSNQHAFUBXYAL-BBRMVZONSA-N 2 0 327.469 1.012 20 0 EDADRP C[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000580420866 322048209 /nfs/dbraw/zinc/04/82/09/322048209.db2.gz XKEQTRSTQZBBDJ-NVXWUHKLSA-N 2 0 345.491 1.985 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)CC1 ZINC000580444029 322052391 /nfs/dbraw/zinc/05/23/91/322052391.db2.gz MFCNGOMSSYSDJH-MSOLQXFVSA-N 2 0 337.508 1.852 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000580764237 322091999 /nfs/dbraw/zinc/09/19/99/322091999.db2.gz NHLHSNAEPLRQBX-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000580823428 322100065 /nfs/dbraw/zinc/10/00/65/322100065.db2.gz UOBNBGMWOIGVBN-QGZVFWFLSA-N 2 0 339.528 1.186 20 0 EDADRP CC[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000580941642 322114525 /nfs/dbraw/zinc/11/45/25/322114525.db2.gz YXPNEFMVULAMQV-WNRNVDISSA-N 2 0 328.460 1.340 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246088 322154139 /nfs/dbraw/zinc/15/41/39/322154139.db2.gz HVNQRNPYOSBKBF-RBUKOAKNSA-N 2 0 328.460 1.398 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000581309661 322162585 /nfs/dbraw/zinc/16/25/85/322162585.db2.gz HLQHCMDKSWMOEK-BBWFWOEESA-N 2 0 335.423 1.223 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597162 322196602 /nfs/dbraw/zinc/19/66/02/322196602.db2.gz KPSQMZRPCOHEGD-IAGOWNOFSA-N 2 0 332.448 1.020 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C[C@@H]1[NH3+] ZINC000332312893 444509702 /nfs/dbraw/zinc/50/97/02/444509702.db2.gz TZXQWMHJPQTHDU-MXSMSXNCSA-N 2 0 330.476 1.886 20 0 EDADRP OC[C@@H]1CCCN(c2cc(N3CC[NH+](C4CCC4)CC3)ncn2)C1 ZINC000329252773 444513212 /nfs/dbraw/zinc/51/32/12/444513212.db2.gz BZVHXAFULFDYIC-OAHLLOKOSA-N 2 0 331.464 1.360 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[N@@H+]1C ZINC000343764722 444574071 /nfs/dbraw/zinc/57/40/71/444574071.db2.gz WDOGSLCFQGWQDR-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333014888 444629411 /nfs/dbraw/zinc/62/94/11/444629411.db2.gz WRUVQMYTRJURRB-RCCFBDPRSA-N 2 0 337.508 1.745 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)[NH+]1CCN(C)CC1 ZINC000340962978 444600758 /nfs/dbraw/zinc/60/07/58/444600758.db2.gz PJSHAROMUQHIRF-IKGGRYGDSA-N 2 0 339.528 1.040 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000338280667 444608686 /nfs/dbraw/zinc/60/86/86/444608686.db2.gz LKMUAEYPAOVGOG-KRWDZBQOSA-N 2 0 341.496 1.310 20 0 EDADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000338283713 444610578 /nfs/dbraw/zinc/61/05/78/444610578.db2.gz SVWNEBITDHQSEM-QYZOEREBSA-N 2 0 339.524 1.878 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343834438 444618267 /nfs/dbraw/zinc/61/82/67/444618267.db2.gz QLFVYJLYVWQHEF-DUQJVZAFSA-N 2 0 349.519 1.675 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333501379 444676437 /nfs/dbraw/zinc/67/64/37/444676437.db2.gz DIVBGSFLRBZIHP-MRXNPFEDSA-N 2 0 336.480 1.167 20 0 EDADRP Cc1cnc(CNc2ccc(CC(=O)N3CCN(C)CC3)cc2)n1C ZINC000341160219 444702806 /nfs/dbraw/zinc/70/28/06/444702806.db2.gz ZJWQBFOXXIGFEI-UHFFFAOYSA-N 2 0 341.459 1.657 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341161565 444703830 /nfs/dbraw/zinc/70/38/30/444703830.db2.gz XCKOKJIRNPWJBG-MRXNPFEDSA-N 2 0 344.503 1.821 20 0 EDADRP C[C@]1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[NH2+]C1 ZINC000333877966 444705657 /nfs/dbraw/zinc/70/56/57/444705657.db2.gz VRKNJBSEOMFUJX-SFHVURJKSA-N 2 0 338.496 1.130 20 0 EDADRP CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329765067 444708802 /nfs/dbraw/zinc/70/88/02/444708802.db2.gz WNQCTJIISXYQPO-MRXNPFEDSA-N 2 0 327.432 1.876 20 0 EDADRP C[C@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040590 444744144 /nfs/dbraw/zinc/74/41/44/444744144.db2.gz VOGAPZWUNDKGAM-LXPRWKDFSA-N 2 0 340.556 1.885 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH+]2CCCC2)C[C@H]1CC ZINC000342571663 444749482 /nfs/dbraw/zinc/74/94/82/444749482.db2.gz TYTVGPICDICZJS-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](CC)C(C)C)C[C@H]1CC ZINC000342651314 444796865 /nfs/dbraw/zinc/79/68/65/444796865.db2.gz NLZUOJLXCWANOP-QGZVFWFLSA-N 2 0 342.528 1.859 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@@H]1CC ZINC000342656290 444799837 /nfs/dbraw/zinc/79/98/37/444799837.db2.gz LGSIIIUTOHGEKY-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000336875617 444822015 /nfs/dbraw/zinc/82/20/15/444822015.db2.gz JNCVEWFSXYVSJG-QGZVFWFLSA-N 2 0 325.497 1.018 20 0 EDADRP CC[C@H](C(=O)NCC(C)(C)CN(C)C(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000338967952 444960435 /nfs/dbraw/zinc/96/04/35/444960435.db2.gz XVKWVELGXWXXKS-HUUCEWRRSA-N 2 0 342.528 1.268 20 0 EDADRP CC[C@H](C(=O)N(C)CC(C)(C)CNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000338967953 444961029 /nfs/dbraw/zinc/96/10/29/444961029.db2.gz XVKWVELGXWXXKS-LSDHHAIUSA-N 2 0 342.528 1.268 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000344392371 444937612 /nfs/dbraw/zinc/93/76/12/444937612.db2.gz VXWRKWIFHCQLKL-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP c1c(NCC[NH+]2CCCC2)nc(NCC[NH+]2CCCC2)nc1C1CC1 ZINC000341828497 445022478 /nfs/dbraw/zinc/02/24/78/445022478.db2.gz XMQFQJPPUQFECJ-UHFFFAOYSA-N 2 0 344.507 1.213 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769679 444993540 /nfs/dbraw/zinc/99/35/40/444993540.db2.gz MRRQEEOYRRJFSU-QFBILLFUSA-N 2 0 344.503 1.960 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000343014932 445006721 /nfs/dbraw/zinc/00/67/21/445006721.db2.gz LNXQNQKTGXUHRT-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343020549 445009736 /nfs/dbraw/zinc/00/97/36/445009736.db2.gz QUFNQHRSVLKFFL-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345096272 445163199 /nfs/dbraw/zinc/16/31/99/445163199.db2.gz AJKBOHQQOCKHQI-BDXSIMOUSA-N 2 0 336.524 1.344 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342079110 445160968 /nfs/dbraw/zinc/16/09/68/445160968.db2.gz DUORMEWDDIXSDV-BRWVUGGUSA-N 2 0 344.459 1.462 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[NH2+][C@@H]3C)cn2)CC1 ZINC000343476893 445230275 /nfs/dbraw/zinc/23/02/75/445230275.db2.gz OLMIABCHZDPLHX-WBVHZDCISA-N 2 0 345.491 1.228 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000343565977 445245175 /nfs/dbraw/zinc/24/51/75/445245175.db2.gz KGZTVORFUXFYBA-QAPCUYQASA-N 2 0 336.480 1.540 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C[NH+]1CCCCC1 ZINC000351767313 445314095 /nfs/dbraw/zinc/31/40/95/445314095.db2.gz GJSULXILVIYSHQ-ZACQAIPSSA-N 2 0 340.512 1.205 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000348121246 445279572 /nfs/dbraw/zinc/27/95/72/445279572.db2.gz BYJDWCXPWNHZOU-HZMVEIRTSA-N 2 0 338.496 1.364 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)C(C)C ZINC000348129579 445284418 /nfs/dbraw/zinc/28/44/18/445284418.db2.gz TZIMGFWMCTWOPX-SJORKVTESA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000351738941 445301309 /nfs/dbraw/zinc/30/13/09/445301309.db2.gz SVKXFFYMSOGINT-BBWFWOEESA-N 2 0 339.528 1.137 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000354678851 445337407 /nfs/dbraw/zinc/33/74/07/445337407.db2.gz WMRSNIDELPCFMW-IAGOWNOFSA-N 2 0 346.475 1.184 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)c2sccc2C[NH+](C)C)[N@H+](C)C1 ZINC000348701329 445349325 /nfs/dbraw/zinc/34/93/25/445349325.db2.gz KADSXCJJNVOMJM-ZIAGYGMSSA-N 2 0 325.478 1.601 20 0 EDADRP CC[C@H]1C[C@@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCO1 ZINC000356968116 445352762 /nfs/dbraw/zinc/35/27/62/445352762.db2.gz QDXJWTDWPXEZDS-RDJZCZTQSA-N 2 0 325.497 1.581 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CCC[NH+]1C)c1ccccc1 ZINC000356976297 445356531 /nfs/dbraw/zinc/35/65/31/445356531.db2.gz CKPBXTUFEXYWGK-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000362395681 445359340 /nfs/dbraw/zinc/35/93/40/445359340.db2.gz KFSQBKQJFQMNGQ-NVXWUHKLSA-N 2 0 343.537 1.287 20 0 EDADRP Cc1cc(NC[C@H]2C[C@@H](F)CN2c2ccnc(N(C)C)n2)ncn1 ZINC000359664858 445363843 /nfs/dbraw/zinc/36/38/43/445363843.db2.gz ZKHIGQVTADDAJB-CHWSQXEVSA-N 2 0 331.399 1.670 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCCS(N)(=O)=O)CC1)CC1CC1 ZINC000357092667 445423614 /nfs/dbraw/zinc/42/36/14/445423614.db2.gz ZIRLENMBHKZOFK-UHFFFAOYSA-N 2 0 331.526 1.499 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362554607 445437145 /nfs/dbraw/zinc/43/71/45/445437145.db2.gz YXCUGMCJWCSPJY-ZIAGYGMSSA-N 2 0 333.480 1.727 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000362565237 445442042 /nfs/dbraw/zinc/44/20/42/445442042.db2.gz SGHXLCLEEYMWNZ-AWEZNQCLSA-N 2 0 331.464 1.577 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564961 445442229 /nfs/dbraw/zinc/44/22/29/445442229.db2.gz PQBZDGVWATUTFA-CQSZACIVSA-N 2 0 349.479 1.106 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362570401 445445244 /nfs/dbraw/zinc/44/52/44/445445244.db2.gz RFXOMDLQWCVTHV-HUUCEWRRSA-N 2 0 331.464 1.481 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)C[C@@H](C)O1 ZINC000357171664 445465874 /nfs/dbraw/zinc/46/58/74/445465874.db2.gz HBCHCMCVYKVQPV-MTNOOBJLSA-N 2 0 337.508 1.772 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000352066783 445469668 /nfs/dbraw/zinc/46/96/68/445469668.db2.gz DHVXRIFGHFNEDX-DOTOQJQBSA-N 2 0 343.537 1.607 20 0 EDADRP C[C@@H](NC(=O)NCCNc1cc[nH+]cc1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357290694 445529129 /nfs/dbraw/zinc/52/91/29/445529129.db2.gz VVWADRPFJCYWHR-QAPCUYQASA-N 2 0 341.459 1.906 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000359919155 445488450 /nfs/dbraw/zinc/48/84/50/445488450.db2.gz SUOOXTIEZXAFMT-ULQDDVLXSA-N 2 0 342.528 1.593 20 0 EDADRP CCC[C@@H]([NH2+][C@@H]1CCN(CCN2CCOCC2)C1)c1cccnc1 ZINC000359961402 445505324 /nfs/dbraw/zinc/50/53/24/445505324.db2.gz SCRVDYNOSWSJSB-RTBURBONSA-N 2 0 332.492 1.919 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000352614050 445541848 /nfs/dbraw/zinc/54/18/48/445541848.db2.gz UFEFTAQEWKESBD-HNNXBMFYSA-N 2 0 342.528 1.497 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353430125 445598826 /nfs/dbraw/zinc/59/88/26/445598826.db2.gz RBWRCAWPRSDXIG-HOTGVXAUSA-N 2 0 325.497 1.626 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000358017073 445599531 /nfs/dbraw/zinc/59/95/31/445599531.db2.gz UMFAHZAHQKMORJ-ZWKOTPCHSA-N 2 0 338.540 1.497 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000358277706 445615560 /nfs/dbraw/zinc/61/55/60/445615560.db2.gz PZLBUBPBGAMXLE-ZACQAIPSSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC(=O)NCc1cccs1 ZINC000358512098 445625788 /nfs/dbraw/zinc/62/57/88/445625788.db2.gz UFLPSQPAXOOCAW-UHFFFAOYSA-N 2 0 336.461 1.149 20 0 EDADRP CC[NH+](CC)CCOCC[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000349670324 445642478 /nfs/dbraw/zinc/64/24/78/445642478.db2.gz VGUXPGNBQYTHKM-UHFFFAOYSA-N 2 0 327.513 1.972 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@@H]1c1cccnc1 ZINC000358531464 445636841 /nfs/dbraw/zinc/63/68/41/445636841.db2.gz SPJMXHYSOMXFEI-HYVNUMGLSA-N 2 0 333.480 1.666 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353582581 445666452 /nfs/dbraw/zinc/66/64/52/445666452.db2.gz RDOZIVJSCKNJHO-MRXNPFEDSA-N 2 0 348.495 1.013 20 0 EDADRP C[C@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000353599639 445672619 /nfs/dbraw/zinc/67/26/19/445672619.db2.gz WWVMVTOOFWQUDM-AWEZNQCLSA-N 2 0 332.452 1.527 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C1CC1 ZINC000353734718 445730966 /nfs/dbraw/zinc/73/09/66/445730966.db2.gz HHDWOZYYSXTBNM-UHFFFAOYSA-N 2 0 347.463 1.406 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCC(=O)NC(N)=O)CC1)CC(C)C ZINC000358742726 445754279 /nfs/dbraw/zinc/75/42/79/445754279.db2.gz ZEVZIAHKTWIZLT-UHFFFAOYSA-N 2 0 326.485 1.651 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314339 445762553 /nfs/dbraw/zinc/76/25/53/445762553.db2.gz LKOLTQHFPSGCHY-ROUUACIJSA-N 2 0 335.492 1.432 20 0 EDADRP C[N@H+](C[C@H](O)Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481550 445822821 /nfs/dbraw/zinc/82/28/21/445822821.db2.gz TUBBSDZEKYPDLE-WOJBJXKFSA-N 2 0 331.504 1.690 20 0 EDADRP CC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC1CCC1 ZINC000361488350 445784258 /nfs/dbraw/zinc/78/42/58/445784258.db2.gz ZCJLCGMVGXJLOJ-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C1 ZINC000350284601 445805790 /nfs/dbraw/zinc/80/57/90/445805790.db2.gz DYCKVMBYNRRECL-LSDHHAIUSA-N 2 0 342.484 1.042 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000356469309 445808236 /nfs/dbraw/zinc/80/82/36/445808236.db2.gz DZRCFOZJQNFSNS-GOSISDBHSA-N 2 0 346.475 1.513 20 0 EDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000358960826 445865345 /nfs/dbraw/zinc/86/53/45/445865345.db2.gz CXYFVBVIEYRGLC-INIZCTEOSA-N 2 0 329.448 1.923 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000582052011 325760813 /nfs/dbraw/zinc/76/08/13/325760813.db2.gz DFSFQMPXJSTONB-PVAVHDDUSA-N 2 0 335.423 1.014 20 0 EDADRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1(C(=O)OC)CCC1 ZINC000354090854 445895900 /nfs/dbraw/zinc/89/59/00/445895900.db2.gz JNQLBBWIRYSPKB-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(F)CC[NH2+]C1)c1cccc(OC)c1 ZINC000361723300 445898927 /nfs/dbraw/zinc/89/89/27/445898927.db2.gz NQUWFBCFXPXJMA-WMZOPIPTSA-N 2 0 337.439 1.896 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000369079394 445915337 /nfs/dbraw/zinc/91/53/37/445915337.db2.gz UNVBNGPCZCFGEY-INIZCTEOSA-N 2 0 336.480 1.048 20 0 EDADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000361794360 445952434 /nfs/dbraw/zinc/95/24/34/445952434.db2.gz AEHGVVHKKWDUQM-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC2)CC1 ZINC000369155940 445958286 /nfs/dbraw/zinc/95/82/86/445958286.db2.gz NGQJIZVLRDTLPW-INIZCTEOSA-N 2 0 338.540 1.782 20 0 EDADRP C[NH+]1CCC2(CCCN(S(=O)(=O)CC[NH+]3CCCC3)C2)CC1 ZINC000369184448 445975597 /nfs/dbraw/zinc/97/55/97/445975597.db2.gz QGDYSQQOLNZCON-UHFFFAOYSA-N 2 0 329.510 1.220 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000369198707 445987990 /nfs/dbraw/zinc/98/79/90/445987990.db2.gz YXEUOFVJFJTAOJ-ZWKOTPCHSA-N 2 0 345.491 1.639 20 0 EDADRP CC(C)(C)c1nc(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)no1 ZINC000359212003 446040929 /nfs/dbraw/zinc/04/09/29/446040929.db2.gz NJKWABGNCUFYIQ-UHFFFAOYSA-N 2 0 335.496 1.874 20 0 EDADRP C[C@]1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCC[NH2+]C1 ZINC000583321180 326049916 /nfs/dbraw/zinc/04/99/16/326049916.db2.gz PJVGGALQVVEAFO-HKUYNNGSSA-N 2 0 330.476 1.800 20 0 EDADRP COc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000583516993 326089094 /nfs/dbraw/zinc/08/90/94/326089094.db2.gz XTRIBUBYBPYTIG-DZGCQCFKSA-N 2 0 325.428 1.093 20 0 EDADRP CC[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000583682522 326117090 /nfs/dbraw/zinc/11/70/90/326117090.db2.gz ZFTNECUENGUHCO-ZWKOTPCHSA-N 2 0 330.476 1.875 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000583698194 326122317 /nfs/dbraw/zinc/12/23/17/326122317.db2.gz QCZHSKWUTAZVQU-OAHLLOKOSA-N 2 0 326.485 1.175 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000373144899 446057981 /nfs/dbraw/zinc/05/79/81/446057981.db2.gz FBUZQGSSRSOETE-HKUYNNGSSA-N 2 0 342.524 1.843 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000583985052 326178362 /nfs/dbraw/zinc/17/83/62/326178362.db2.gz MDCIMEPQGKDRRR-HEFCMCLBSA-N 2 0 349.519 1.994 20 0 EDADRP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000584285844 326235136 /nfs/dbraw/zinc/23/51/36/326235136.db2.gz YBWBWUQZVPITRT-VYDXJSESSA-N 2 0 333.480 1.401 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1CN(C2CC2)CCO1)c1ccccc1 ZINC000366212995 446085873 /nfs/dbraw/zinc/08/58/73/446085873.db2.gz XRPZPFCCFPGRIT-MSOLQXFVSA-N 2 0 346.475 1.452 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359266892 446103733 /nfs/dbraw/zinc/10/37/33/446103733.db2.gz UXOOJHDZNRLEAF-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372572 446111412 /nfs/dbraw/zinc/11/14/12/446111412.db2.gz KBVUWCAHADJQTL-NUJGCVRESA-N 2 0 349.523 1.033 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)CNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000351520914 446123259 /nfs/dbraw/zinc/12/32/59/446123259.db2.gz IICFPVKYPNQQDS-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000370228544 446194397 /nfs/dbraw/zinc/19/43/97/446194397.db2.gz SOHHBSDPCSLJOV-JKSUJKDBSA-N 2 0 348.495 1.925 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000362083395 446201012 /nfs/dbraw/zinc/20/10/12/446201012.db2.gz AHDLEENQJNYYCO-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C)C(C)C ZINC000359407355 446205869 /nfs/dbraw/zinc/20/58/69/446205869.db2.gz JZZGAADFPAUKSK-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000370280109 446211977 /nfs/dbraw/zinc/21/19/77/446211977.db2.gz DOJJCYJGUHUDKD-ZBFHGGJFSA-N 2 0 334.464 1.981 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000370283907 446213058 /nfs/dbraw/zinc/21/30/58/446213058.db2.gz WEIOZGPPCCJPHB-XLIONFOSSA-N 2 0 347.503 1.863 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N(C)CC[NH3+])CC2)cc1 ZINC000417327059 446345581 /nfs/dbraw/zinc/34/55/81/446345581.db2.gz GSZPLOBCDNRSOX-UHFFFAOYSA-N 2 0 334.464 1.507 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@H](C[NH3+])C3CC3)CCCC2)CC1 ZINC000417548952 446364927 /nfs/dbraw/zinc/36/49/27/446364927.db2.gz RREIDIYBBQXTIW-MRXNPFEDSA-N 2 0 338.496 1.447 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C3CCCC3)CC2)C1 ZINC000365843495 446367198 /nfs/dbraw/zinc/36/71/98/446367198.db2.gz LOKKSQZYINUQFK-INIZCTEOSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000417836305 446375458 /nfs/dbraw/zinc/37/54/58/446375458.db2.gz LKWRTVIFUTXBJV-DUFXMDAXSA-N 2 0 326.238 1.571 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](CO)[C@@H]1CCOC1 ZINC000370664896 446378283 /nfs/dbraw/zinc/37/82/83/446378283.db2.gz LIRUULGOCLWGGV-DZVNLGKHSA-N 2 0 326.481 1.110 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417920929 446385885 /nfs/dbraw/zinc/38/58/85/446385885.db2.gz ZFPCUOLJVCTADF-SJORKVTESA-N 2 0 338.496 1.196 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H]1c1ccccc1 ZINC000417953193 446398755 /nfs/dbraw/zinc/39/87/55/446398755.db2.gz ZBPFBIMTURDKFB-BFHYXJOUSA-N 2 0 326.391 1.714 20 0 EDADRP [NH3+]CCCCNC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000418061878 446428223 /nfs/dbraw/zinc/42/82/23/446428223.db2.gz BKXYHPKFWUREOZ-MRXNPFEDSA-N 2 0 336.505 1.642 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423141503 446438587 /nfs/dbraw/zinc/43/85/87/446438587.db2.gz QLYQQYVKASMMJK-ALKREAHSSA-N 2 0 336.476 1.975 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[N@@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000411244054 446441226 /nfs/dbraw/zinc/44/12/26/446441226.db2.gz MMNBFNYKDVYNGE-UHFFFAOYSA-N 2 0 334.464 1.452 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156739 446442235 /nfs/dbraw/zinc/44/22/35/446442235.db2.gz UDWACBMWJLVLKK-YNVMFWSZSA-N 2 0 343.471 1.695 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000370789272 446442344 /nfs/dbraw/zinc/44/23/44/446442344.db2.gz WMOUUZOKFHXTHO-IAGOWNOFSA-N 2 0 333.501 1.814 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000418132018 446442361 /nfs/dbraw/zinc/44/23/61/446442361.db2.gz DJPBSXFTURZSSY-ZWKOTPCHSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287526 446453101 /nfs/dbraw/zinc/45/31/01/446453101.db2.gz IAJDKFJJAIWHEF-SZMVWBNQSA-N 2 0 332.492 1.465 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000418172099 446445461 /nfs/dbraw/zinc/44/54/61/446445461.db2.gz OZTGRDAEXIHSSB-HNNXBMFYSA-N 2 0 347.507 1.532 20 0 EDADRP C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000418178532 446448376 /nfs/dbraw/zinc/44/83/76/446448376.db2.gz IYYDRQREDVHAKT-QEJZJMRPSA-N 2 0 340.418 1.974 20 0 EDADRP CN(Cc1nc2c(cnn2-c2ccccc2)c(=O)[nH]1)CC(C)(C)C[NH3+] ZINC000420284664 446450926 /nfs/dbraw/zinc/45/09/26/446450926.db2.gz DECWWDYWHYJPAN-UHFFFAOYSA-N 2 0 340.431 1.938 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417994766 446410251 /nfs/dbraw/zinc/41/02/51/446410251.db2.gz YZXGHHHCVOFNCB-OCCSQVGLSA-N 2 0 328.407 1.789 20 0 EDADRP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006685 446413904 /nfs/dbraw/zinc/41/39/04/446413904.db2.gz MOPBJNXEXNCDDP-XYJFISCASA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418009370 446414359 /nfs/dbraw/zinc/41/43/59/446414359.db2.gz PALCVMKLJVKLBW-JCGIZDLHSA-N 2 0 330.476 1.934 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418046003 446424093 /nfs/dbraw/zinc/42/40/93/446424093.db2.gz PSEQNGQZZUQNCB-IBGZPJMESA-N 2 0 348.491 1.576 20 0 EDADRP COC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC[NH2+]CC1 ZINC000370766851 446426159 /nfs/dbraw/zinc/42/61/59/446426159.db2.gz OXYRZKNCPPJUOR-SFHVURJKSA-N 2 0 345.487 1.578 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@H](C[NH3+])C3)CC2)cc1 ZINC000420294508 446457750 /nfs/dbraw/zinc/45/77/50/446457750.db2.gz OOZHBVMSEBUFRH-LJQANCHMSA-N 2 0 344.503 1.310 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCCOCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420298585 446462510 /nfs/dbraw/zinc/46/25/10/446462510.db2.gz SDPQEBZLNSIHGH-LJQANCHMSA-N 2 0 345.487 1.737 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420307829 446469719 /nfs/dbraw/zinc/46/97/19/446469719.db2.gz MTFZZZNQJRESSJ-XDQVBPFNSA-N 2 0 333.432 1.658 20 0 EDADRP O=C(CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000420306184 446470452 /nfs/dbraw/zinc/47/04/52/446470452.db2.gz AADSASACPGAKFO-QGZVFWFLSA-N 2 0 342.487 1.193 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000452800580 446475049 /nfs/dbraw/zinc/47/50/49/446475049.db2.gz RSSFWJXSKPCEMX-IRXDYDNUSA-N 2 0 325.497 1.460 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423296720 446475752 /nfs/dbraw/zinc/47/57/52/446475752.db2.gz HNIFIHYEIMZXJP-QZTJIDSGSA-N 2 0 341.459 1.840 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311343 446475972 /nfs/dbraw/zinc/47/59/72/446475972.db2.gz QXRUMDXOFNKYEP-HOCLYGCPSA-N 2 0 325.478 1.117 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420320232 446486105 /nfs/dbraw/zinc/48/61/05/446486105.db2.gz BBHQPBMUFSKBFW-XHHISWJOSA-N 2 0 337.508 1.708 20 0 EDADRP CC[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000423326925 446488866 /nfs/dbraw/zinc/48/88/66/446488866.db2.gz MNVYITAVVRPXKW-QUCCMNQESA-N 2 0 345.487 1.566 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420325733 446493833 /nfs/dbraw/zinc/49/38/33/446493833.db2.gz BSDXMAUOFMKLFT-KURKYZTESA-N 2 0 345.487 1.810 20 0 EDADRP C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000423338082 446494705 /nfs/dbraw/zinc/49/47/05/446494705.db2.gz ASDMACHCTPKFRG-CABCVRRESA-N 2 0 333.480 1.729 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423338663 446494922 /nfs/dbraw/zinc/49/49/22/446494922.db2.gz USPWAHPOMUGJEC-HUUCEWRRSA-N 2 0 336.484 1.115 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328415 446497849 /nfs/dbraw/zinc/49/78/49/446497849.db2.gz MLDZKHBEZRVJJK-VVLHAWIVSA-N 2 0 337.508 1.567 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420385203 446560999 /nfs/dbraw/zinc/56/09/99/446560999.db2.gz SNDAXVMXBVODLG-SJLPKXTDSA-N 2 0 325.497 1.853 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433352512 446561114 /nfs/dbraw/zinc/56/11/14/446561114.db2.gz MTPQUZJUPXDSDZ-UHFFFAOYSA-N 2 0 333.476 1.979 20 0 EDADRP CC1CCC(N(C(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)C2CC2)CC1 ZINC000420346283 446518799 /nfs/dbraw/zinc/51/87/99/446518799.db2.gz CQEIIBLGRIKITO-FAFZWHIHSA-N 2 0 348.535 1.536 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)CCn3ccnc3)CCC[N@@H+]2C)cn1 ZINC000370920105 446521345 /nfs/dbraw/zinc/52/13/45/446521345.db2.gz ZAHIDXYQRJYXNA-RHSMWYFYSA-N 2 0 330.436 1.206 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418382516 446523013 /nfs/dbraw/zinc/52/30/13/446523013.db2.gz IECRSJYTAFYCRX-KSZLIROESA-N 2 0 348.491 1.152 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418387979 446525108 /nfs/dbraw/zinc/52/51/08/446525108.db2.gz UPWLTOOCVRXAJZ-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000423425954 446531654 /nfs/dbraw/zinc/53/16/54/446531654.db2.gz DTCOMWPHFFNNED-BEFAXECRSA-N 2 0 345.487 1.648 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418416244 446537383 /nfs/dbraw/zinc/53/73/83/446537383.db2.gz UBLOLQGSCWWIEI-HZPDHXFCSA-N 2 0 328.501 1.504 20 0 EDADRP O=C(CC[N@@H+]1CCO[C@@H](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420360223 446539502 /nfs/dbraw/zinc/53/95/02/446539502.db2.gz LQDMEKJDJFHFLF-SFHVURJKSA-N 2 0 331.460 1.142 20 0 EDADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000423443285 446539636 /nfs/dbraw/zinc/53/96/36/446539636.db2.gz WWXZFKURDBWBQD-PUYPPJJSSA-N 2 0 331.229 1.689 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418431541 446541872 /nfs/dbraw/zinc/54/18/72/446541872.db2.gz RBOBOAIDLBPWLP-UHFFFAOYSA-N 2 0 328.501 1.504 20 0 EDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1C[C@H](F)CN1Cc1nccs1 ZINC000420363723 446544103 /nfs/dbraw/zinc/54/41/03/446544103.db2.gz CDKACFVJYJWDOC-ILXRZTDVSA-N 2 0 326.485 1.987 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418460729 446552649 /nfs/dbraw/zinc/55/26/49/446552649.db2.gz KIHHZXJWPJNPHX-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423480910 446552682 /nfs/dbraw/zinc/55/26/82/446552682.db2.gz WGJDQDBHCAOIIN-SUYBPPKGSA-N 2 0 337.489 1.819 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)cc1 ZINC000418469240 446554763 /nfs/dbraw/zinc/55/47/63/446554763.db2.gz UAEFWMXNWKKZIF-ZNMIVQPWSA-N 2 0 334.464 1.303 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420399119 446574016 /nfs/dbraw/zinc/57/40/16/446574016.db2.gz ZQVOOXHRKNAHCV-JLJPHGGASA-N 2 0 325.497 1.898 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418512991 446574915 /nfs/dbraw/zinc/57/49/15/446574915.db2.gz FQAMUXKODJSVMT-UHFFFAOYSA-N 2 0 333.480 1.545 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC1 ZINC000418523601 446580165 /nfs/dbraw/zinc/58/01/65/446580165.db2.gz LZJOYWSIFBLIFT-QGZVFWFLSA-N 2 0 340.512 1.376 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418532431 446583824 /nfs/dbraw/zinc/58/38/24/446583824.db2.gz SVDVJZFUBXBUPF-SOUVJXGZSA-N 2 0 326.485 1.255 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000418549504 446589143 /nfs/dbraw/zinc/58/91/43/446589143.db2.gz KZYWTWKMGZULIG-QCSYZSNVSA-N 2 0 346.475 1.438 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418574088 446601094 /nfs/dbraw/zinc/60/10/94/446601094.db2.gz LUGDFPAIJAJDLX-GVDBMIGSSA-N 3 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)CCN(CCOC)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000367920944 446608144 /nfs/dbraw/zinc/60/81/44/446608144.db2.gz MKUPHLYGTYXVAD-ROUUACIJSA-N 2 0 326.529 1.750 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000367919601 446608955 /nfs/dbraw/zinc/60/89/55/446608955.db2.gz ZRXYTJWKGWUVHN-SZMVWBNQSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418601195 446609636 /nfs/dbraw/zinc/60/96/36/446609636.db2.gz UEBLWKMWWIYBOI-GDAAHCPNSA-N 2 0 342.487 1.758 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418659193 446637381 /nfs/dbraw/zinc/63/73/81/446637381.db2.gz VHIIYXRRPIMNPB-QGZVFWFLSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453762631 446643387 /nfs/dbraw/zinc/64/33/87/446643387.db2.gz WTICKGNWULYLFV-LRDDRELGSA-N 2 0 332.448 1.240 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418690856 446649032 /nfs/dbraw/zinc/64/90/32/446649032.db2.gz XJEOKNWFEIIOFL-YQVWRLOYSA-N 2 0 328.460 1.479 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000368116052 446650733 /nfs/dbraw/zinc/65/07/33/446650733.db2.gz RWKABDJHLLVHFM-RYQLBKOJSA-N 2 0 336.524 1.012 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000375227152 446655820 /nfs/dbraw/zinc/65/58/20/446655820.db2.gz KTNYBNZEUOFJJB-GOSISDBHSA-N 2 0 342.487 1.998 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)cn2)CC1 ZINC000423717540 446656664 /nfs/dbraw/zinc/65/66/64/446656664.db2.gz AEIRRJHQRXMBQO-KRWDZBQOSA-N 2 0 339.443 1.514 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000423721741 446659787 /nfs/dbraw/zinc/65/97/87/446659787.db2.gz FSYYHOBQNGELOA-LJQANCHMSA-N 2 0 331.460 1.729 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000418743249 446664687 /nfs/dbraw/zinc/66/46/87/446664687.db2.gz SHPCNBNIMJMDKF-OLZOCXBDSA-N 2 0 336.427 1.111 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418743345 446664711 /nfs/dbraw/zinc/66/47/11/446664711.db2.gz CXWMXUJHDZQVBS-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000423734892 446667418 /nfs/dbraw/zinc/66/74/18/446667418.db2.gz BMMPFTRDAZCJBB-NLWGTHIKSA-N 2 0 348.535 1.395 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423741887 446672551 /nfs/dbraw/zinc/67/25/51/446672551.db2.gz KTWIHEKXUFGZPZ-GOSISDBHSA-N 2 0 333.476 1.865 20 0 EDADRP COC[C@]1(CNC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000418627393 446620637 /nfs/dbraw/zinc/62/06/37/446620637.db2.gz AYOXISSYEIJXDU-DOTOQJQBSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418628074 446622201 /nfs/dbraw/zinc/62/22/01/446622201.db2.gz OMPUIVGKZYQCTB-APWZRJJASA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000411631565 446627832 /nfs/dbraw/zinc/62/78/32/446627832.db2.gz MSKPHNUIVACILF-NXHRZFHOSA-N 2 0 335.492 1.524 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418833713 446738575 /nfs/dbraw/zinc/73/85/75/446738575.db2.gz LHZVYTCPUVPNBF-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP CN(C)[C@H](CNC(=O)NCc1cnc2n1CCCC2)c1ccco1 ZINC000376798578 446724196 /nfs/dbraw/zinc/72/41/96/446724196.db2.gz HJVZJFPRPJGJRV-CQSZACIVSA-N 2 0 331.420 1.915 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C)cc1 ZINC000418824494 446731290 /nfs/dbraw/zinc/73/12/90/446731290.db2.gz SPVAYHZDUPQAJH-INIZCTEOSA-N 2 0 348.491 1.157 20 0 EDADRP COCC[NH2+]CC(=O)NCC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423894610 446747900 /nfs/dbraw/zinc/74/79/00/446747900.db2.gz DZAFLQVEJARILV-SJLPKXTDSA-N 2 0 333.476 1.639 20 0 EDADRP COC(=O)CCN1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000423905816 446755996 /nfs/dbraw/zinc/75/59/96/446755996.db2.gz ZLKUUYBCFANKLV-GOEBONIOSA-N 2 0 339.480 1.380 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000423927304 446778663 /nfs/dbraw/zinc/77/86/63/446778663.db2.gz FTGLXFOHRSVPJC-NBOOPKSLSA-N 2 0 347.507 1.779 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368363544 446812899 /nfs/dbraw/zinc/81/28/99/446812899.db2.gz VBRDTHQHNKZXSU-ALOPSCKCSA-N 2 0 337.508 1.628 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424038061 446829089 /nfs/dbraw/zinc/82/90/89/446829089.db2.gz LDPJXVHGIRRWJR-KRWDZBQOSA-N 3 0 330.476 1.238 20 0 EDADRP CCC(CC)(CNC(=O)C(=O)N(C)CC[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000418960981 446830236 /nfs/dbraw/zinc/83/02/36/446830236.db2.gz JLDCBKXFHNLPBQ-HNNXBMFYSA-N 2 0 348.491 1.429 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424078861 446842932 /nfs/dbraw/zinc/84/29/32/446842932.db2.gz QLGKUVMUBWECSS-DOMZBBRYSA-N 2 0 328.420 1.152 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418931176 446806937 /nfs/dbraw/zinc/80/69/37/446806937.db2.gz CWYDVTKZSRHHAA-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000424127002 446858241 /nfs/dbraw/zinc/85/82/41/446858241.db2.gz CMFYYTATHRTTKF-KFWWJZLASA-N 2 0 334.468 1.195 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000424227305 446863460 /nfs/dbraw/zinc/86/34/60/446863460.db2.gz QJNLZHQVEPNVFN-BBWFWOEESA-N 2 0 333.480 1.184 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000424451949 446872393 /nfs/dbraw/zinc/87/23/93/446872393.db2.gz ICQCWKRXHJQYPE-QGZVFWFLSA-N 2 0 344.459 1.479 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1 ZINC000424461257 446878361 /nfs/dbraw/zinc/87/83/61/446878361.db2.gz CXOCEFXPAHDYJN-YOEHRIQHSA-N 2 0 344.459 1.477 20 0 EDADRP C[N@@H+]([C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371473188 446878951 /nfs/dbraw/zinc/87/89/51/446878951.db2.gz LXBJHDKPZBSEGF-DFQSSKMNSA-N 2 0 329.488 1.745 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H](C)[N@H+]1C ZINC000454525801 446899150 /nfs/dbraw/zinc/89/91/50/446899150.db2.gz QWKXAOUZZQOQCA-OWCLPIDISA-N 2 0 338.496 1.221 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](CC2CCC2)CC1)[C@@H]1CCSC1 ZINC000412308210 446928713 /nfs/dbraw/zinc/92/87/13/446928713.db2.gz IVYAZCZXOJSHAE-MRXNPFEDSA-N 2 0 325.522 1.758 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C(=O)NCCC[NH3+])cc1 ZINC000419188648 446999600 /nfs/dbraw/zinc/99/96/00/446999600.db2.gz KHTGOVIJHDOKHC-HNNXBMFYSA-N 2 0 346.475 1.142 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCCN2CCc3ccccc32)C1 ZINC000443059845 447002353 /nfs/dbraw/zinc/00/23/53/447002353.db2.gz NMFYKPOPLDBSGN-INIZCTEOSA-N 2 0 330.476 1.226 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NCC[N@@H+]2CCCC(C)(C)C2)ccn1 ZINC000444629075 447112101 /nfs/dbraw/zinc/11/21/01/447112101.db2.gz JVXXCZWANZPQTC-UHFFFAOYSA-N 2 0 348.491 1.874 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444170477 447085006 /nfs/dbraw/zinc/08/50/06/447085006.db2.gz VCYTVCHLICPSKH-AZUAARDMSA-N 2 0 327.472 1.809 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[N@H+](CCO)[C@@H](C)C3)c2cc1OC ZINC000413247443 447091532 /nfs/dbraw/zinc/09/15/32/447091532.db2.gz IHVRTTGQTWHUSW-ZDUSSCGKSA-N 2 0 331.416 1.755 20 0 EDADRP CC[C@H](CNC(=O)[C@H]1C[C@]12CC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000444187712 447092452 /nfs/dbraw/zinc/09/24/52/447092452.db2.gz SNLGJCFGIITIDH-GGPKGHCWSA-N 2 0 327.472 1.939 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000375908119 447138315 /nfs/dbraw/zinc/13/83/15/447138315.db2.gz VEIIXNADZNXVBE-QFBILLFUSA-N 2 0 335.467 1.959 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000377487978 447159508 /nfs/dbraw/zinc/15/95/08/447159508.db2.gz KMGMRNTUKPIIND-BBWFWOEESA-N 2 0 346.475 1.760 20 0 EDADRP CC[C@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000413303400 447127499 /nfs/dbraw/zinc/12/74/99/447127499.db2.gz QCBPPDSNPREPFL-NVXWUHKLSA-N 2 0 346.475 1.663 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000455623596 447188570 /nfs/dbraw/zinc/18/85/70/447188570.db2.gz VVOZXWIOXHPSMF-QGZVFWFLSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455659296 447201013 /nfs/dbraw/zinc/20/10/13/447201013.db2.gz PMIKSGJCEZSORV-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1noc(C)c1C ZINC000455676473 447207753 /nfs/dbraw/zinc/20/77/53/447207753.db2.gz UQTLCLZCHBVBET-HNNXBMFYSA-N 2 0 337.468 2.171 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000368986743 447249149 /nfs/dbraw/zinc/24/91/49/447249149.db2.gz LCADBMTUBFGWBS-IXDOHACOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419482619 447215187 /nfs/dbraw/zinc/21/51/87/447215187.db2.gz QNLHUNZSUKKEED-OAHLLOKOSA-N 2 0 340.512 1.201 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419485372 447216310 /nfs/dbraw/zinc/21/63/10/447216310.db2.gz VIWDQINWIGWDAH-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419511227 447235028 /nfs/dbraw/zinc/23/50/28/447235028.db2.gz HWBVUKDLGVVKFG-OWCLPIDISA-N 2 0 328.501 1.203 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)CC1 ZINC000368972664 447237303 /nfs/dbraw/zinc/23/73/03/447237303.db2.gz HFMAFXPNIUWPOB-HNNXBMFYSA-N 2 0 337.430 1.790 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000419528089 447243392 /nfs/dbraw/zinc/24/33/92/447243392.db2.gz WAXRSGHZUQVDHX-OAHLLOKOSA-N 2 0 340.512 1.262 20 0 EDADRP C[C@H]1CN(C(=O)OC2CCOCC2)CCN1C1CC[NH+](C)CC1 ZINC000377654690 447275881 /nfs/dbraw/zinc/27/58/81/447275881.db2.gz RQMQUDHTMYJFAU-AWEZNQCLSA-N 2 0 325.453 1.402 20 0 EDADRP CC(C)[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000379681724 447453732 /nfs/dbraw/zinc/45/37/32/447453732.db2.gz SRUCHHFEDGXSID-INIZCTEOSA-N 2 0 342.528 1.763 20 0 EDADRP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450323553 447454880 /nfs/dbraw/zinc/45/48/80/447454880.db2.gz ISIXKCCSNZDCTP-ROUUACIJSA-N 2 0 328.497 1.454 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000458779758 447476340 /nfs/dbraw/zinc/47/63/40/447476340.db2.gz UMOZLAXQUWFLOW-LSDHHAIUSA-N 2 0 335.452 1.017 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@H]([NH3+])[C@H]3C)c2)CC1 ZINC000415500253 447483527 /nfs/dbraw/zinc/48/35/27/447483527.db2.gz MJOYQQOPCOEMTN-PBHICJAKSA-N 2 0 331.464 1.782 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458837556 447487163 /nfs/dbraw/zinc/48/71/63/447487163.db2.gz GNXZQSPVIXSQBK-UHFFFAOYSA-N 2 0 326.485 1.226 20 0 EDADRP [NH3+]CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000391020669 447508475 /nfs/dbraw/zinc/50/84/75/447508475.db2.gz PGEMERFRCRACBC-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCCC[NH2+]1 ZINC000391033975 447510255 /nfs/dbraw/zinc/51/02/55/447510255.db2.gz XVSYBLXBBKIQLE-OALUTQOASA-N 2 0 345.487 1.926 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000419967051 447519230 /nfs/dbraw/zinc/51/92/30/447519230.db2.gz ZVPVLANTSZVLPB-INIZCTEOSA-N 2 0 340.512 1.056 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495759749 447580575 /nfs/dbraw/zinc/58/05/75/447580575.db2.gz DHEXPOQZPBNXTL-HNNXBMFYSA-N 2 0 329.485 1.944 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000457524939 447587172 /nfs/dbraw/zinc/58/71/72/447587172.db2.gz RGEGZQJHABNPLX-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416206660 447537419 /nfs/dbraw/zinc/53/74/19/447537419.db2.gz BFNRVBZFBNUICG-LPHOPBHVSA-N 2 0 347.503 1.983 20 0 EDADRP Cc1c(Cl)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)nn1C ZINC000422554572 447640633 /nfs/dbraw/zinc/64/06/33/447640633.db2.gz MRDUFJFPTSRALD-UHFFFAOYSA-N 2 0 325.888 1.688 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000420155153 447643624 /nfs/dbraw/zinc/64/36/24/447643624.db2.gz FCYUKQCKNHHMCF-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)OC[C@H]1CCCO1 ZINC000495834297 447597822 /nfs/dbraw/zinc/59/78/22/447597822.db2.gz SFMHVXYJFUPIMU-QGZVFWFLSA-N 2 0 348.447 1.499 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000404317330 447600270 /nfs/dbraw/zinc/60/02/70/447600270.db2.gz HTPJPYKCLKICCK-IPMKNSEASA-N 2 0 330.520 1.875 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000416814115 447691313 /nfs/dbraw/zinc/69/13/13/447691313.db2.gz FONHGKUASBSPBA-QZTJIDSGSA-N 2 0 346.475 1.869 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416835608 447693240 /nfs/dbraw/zinc/69/32/40/447693240.db2.gz UHAQDJFBXZKYCI-HRCADAONSA-N 2 0 332.448 1.667 20 0 EDADRP COCC[N@H+](C)CCC[NH2+]C1CC2(C1)CN(C(=O)OC(C)(C)C)C2 ZINC000496044448 447697591 /nfs/dbraw/zinc/69/75/91/447697591.db2.gz QHHFYZVBAUJTQM-UHFFFAOYSA-N 2 0 341.496 1.944 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000416885266 447701531 /nfs/dbraw/zinc/70/15/31/447701531.db2.gz MDTQDMWBUXZARL-HDICACEKSA-N 2 0 330.476 1.889 20 0 EDADRP O=C(COc1ccc(CC[NH2+][C@H]2CCC[NH2+]CC2)cc1)NC1CC1 ZINC000422709254 447722982 /nfs/dbraw/zinc/72/29/82/447722982.db2.gz KDADYFOELZFDTM-INIZCTEOSA-N 2 0 331.460 1.618 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000422713789 447725369 /nfs/dbraw/zinc/72/53/69/447725369.db2.gz HXOBCNNGYAOHFI-PXNSSMCTSA-N 2 0 347.503 1.875 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CN[C@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000422719311 447727461 /nfs/dbraw/zinc/72/74/61/447727461.db2.gz YKJZZSCCNZPVBO-LPHOPBHVSA-N 2 0 335.492 1.731 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417012239 447730045 /nfs/dbraw/zinc/73/00/45/447730045.db2.gz WLSHBQBBHMDUPE-CVEARBPZSA-N 2 0 326.485 1.112 20 0 EDADRP COc1ccc([C@H](NC[C@@H](C)N2CC[NH+](C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422733671 447732601 /nfs/dbraw/zinc/73/26/01/447732601.db2.gz BSJHWWNKUZFBQO-UXPWSPDFSA-N 2 0 346.519 1.714 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000422747393 447737125 /nfs/dbraw/zinc/73/71/25/447737125.db2.gz QCDLJPPUPDVVEJ-RRFJBIMHSA-N 2 0 341.377 1.775 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCn2cnc3ccccc32)CC[NH2+]CC1 ZINC000422751558 447738597 /nfs/dbraw/zinc/73/85/97/447738597.db2.gz BNLJHFZXDZQOIB-OAHLLOKOSA-N 2 0 344.459 1.947 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422760442 447742488 /nfs/dbraw/zinc/74/24/88/447742488.db2.gz LSRWUJCHXUXSST-ZDUSSCGKSA-N 2 0 342.443 1.938 20 0 EDADRP CN(c1ccccc1C[N@@H+]1C[C@H](O)[C@H](CO)C1)C1CC[NH+](C)CC1 ZINC000459711182 447749065 /nfs/dbraw/zinc/74/90/65/447749065.db2.gz QSENWFVHOKWVTI-LPHOPBHVSA-N 2 0 333.476 1.002 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422822706 447759226 /nfs/dbraw/zinc/75/92/26/447759226.db2.gz BMISFYWSGVKJGZ-HUUCEWRRSA-N 2 0 336.480 1.881 20 0 EDADRP CN(C[C@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535933 447811886 /nfs/dbraw/zinc/81/18/86/447811886.db2.gz UEODFDANHAKHJT-ZWKOTPCHSA-N 2 0 341.496 1.632 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000496539075 447812661 /nfs/dbraw/zinc/81/26/61/447812661.db2.gz JPWMPJAWVLMIIG-CYBMUJFWSA-N 2 0 327.473 1.499 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915945 447772614 /nfs/dbraw/zinc/77/26/14/447772614.db2.gz ZLJMRAHZTFIOHA-GJZGRUSLSA-N 2 0 339.505 1.696 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000422949377 447778916 /nfs/dbraw/zinc/77/89/16/447778916.db2.gz TYBKMGQTFCYWDB-LZWOXQAQSA-N 2 0 339.505 1.976 20 0 EDADRP COc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000431019075 447789291 /nfs/dbraw/zinc/78/92/91/447789291.db2.gz ZVHHCKAUJIDIMX-UHFFFAOYSA-N 2 0 333.432 1.718 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000423110965 447806906 /nfs/dbraw/zinc/80/69/06/447806906.db2.gz PRJZOKALVHEIPP-NOOOWODRSA-N 2 0 325.482 1.651 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471651249 447807231 /nfs/dbraw/zinc/80/72/31/447807231.db2.gz BFPYRTUYNZEPOH-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000479684679 447824158 /nfs/dbraw/zinc/82/41/58/447824158.db2.gz JMTXFUPCHBTXKM-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530813978 447961929 /nfs/dbraw/zinc/96/19/29/447961929.db2.gz ZZYOKFWRJNEEBO-HXUWFJFHSA-N 2 0 347.503 1.858 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000525369748 447997171 /nfs/dbraw/zinc/99/71/71/447997171.db2.gz FZIFGELUAAZGSV-WBVHZDCISA-N 2 0 325.497 1.626 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)ccc21 ZINC000570902896 448080469 /nfs/dbraw/zinc/08/04/69/448080469.db2.gz CFBUIIFKRAORHH-QZTJIDSGSA-N 2 0 328.460 1.564 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000571059703 448103476 /nfs/dbraw/zinc/10/34/76/448103476.db2.gz RRFJKDRNRFJZRP-SJORKVTESA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)OC[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000576864625 448158229 /nfs/dbraw/zinc/15/82/29/448158229.db2.gz XYJMXFPEJNPJPI-LJQANCHMSA-N 2 0 336.476 1.519 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000526975562 448129033 /nfs/dbraw/zinc/12/90/33/448129033.db2.gz SJQCQMAXRUVZFA-CQSZACIVSA-N 2 0 345.447 1.159 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[N@H+](C)C1CC1 ZINC000531770779 448141130 /nfs/dbraw/zinc/14/11/30/448141130.db2.gz FKPJQILJSMCHED-KBRIMQKVSA-N 2 0 338.496 1.146 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CCCO1 ZINC000571626101 448181081 /nfs/dbraw/zinc/18/10/81/448181081.db2.gz SPOJXRZVMXUSFQ-WMZOPIPTSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@H]1[NH3+] ZINC000514722023 448193383 /nfs/dbraw/zinc/19/33/83/448193383.db2.gz MRRXGRLMOALEKA-KWCMIHLGSA-N 2 0 348.413 1.780 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[NH2+][C@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000572037659 448269547 /nfs/dbraw/zinc/26/95/47/448269547.db2.gz AUUJSVQWRACXTN-ARFHVFGLSA-N 2 0 345.491 1.372 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC000591095044 448259661 /nfs/dbraw/zinc/25/96/61/448259661.db2.gz ULLKMCOTDFCZLI-NVXWUHKLSA-N 2 0 331.460 1.900 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000564918884 448346992 /nfs/dbraw/zinc/34/69/92/448346992.db2.gz XCWXHXSIIUUTEZ-HNNXBMFYSA-N 2 0 337.387 1.641 20 0 EDADRP COc1ccc(CN2CC[C@H]2CNC(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000527798657 448362661 /nfs/dbraw/zinc/36/26/61/448362661.db2.gz RCBYXFPLVMVIDF-SJORKVTESA-N 2 0 346.475 1.663 20 0 EDADRP COc1ccc(CN2CC[C@@H]2CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000527798650 448364101 /nfs/dbraw/zinc/36/41/01/448364101.db2.gz RCBYXFPLVMVIDF-DLBZAZTESA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000527811444 448366316 /nfs/dbraw/zinc/36/63/16/448366316.db2.gz ZJGOCEJHJQBDID-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCOc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000516168801 448390263 /nfs/dbraw/zinc/39/02/63/448390263.db2.gz GGWLYQLJJBVGEY-ROUUACIJSA-N 2 0 344.459 1.286 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)(N2CCOCC2)C1 ZINC000577839752 448398701 /nfs/dbraw/zinc/39/87/01/448398701.db2.gz SGWSVLJEOVZHOW-DSOJJBLGSA-N 2 0 345.487 1.991 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000566193024 448409996 /nfs/dbraw/zinc/40/99/96/448409996.db2.gz TYLFZGATFMXCSZ-HZPDHXFCSA-N 2 0 339.528 1.362 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1)[C@H]1CCC[NH2+]1 ZINC000566230581 448422371 /nfs/dbraw/zinc/42/23/71/448422371.db2.gz CFISGVOHXGZCNZ-MAUKXSAKSA-N 2 0 342.487 1.735 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000533812371 448423780 /nfs/dbraw/zinc/42/37/80/448423780.db2.gz FJRRXXYXNOKPLU-ROUUACIJSA-N 2 0 332.492 1.800 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000566237353 448425383 /nfs/dbraw/zinc/42/53/83/448425383.db2.gz RGSABVUUMDGZMQ-CABCVRRESA-N 2 0 346.475 1.009 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000572647266 448430644 /nfs/dbraw/zinc/43/06/44/448430644.db2.gz GVDMZXGSGJBPSL-RCCFBDPRSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000572713947 448445274 /nfs/dbraw/zinc/44/52/74/448445274.db2.gz OJKIPCXRWMLHPO-CABCVRRESA-N 2 0 336.432 1.477 20 0 EDADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000516649054 448457030 /nfs/dbraw/zinc/45/70/30/448457030.db2.gz VXZUBZJQLPJVAQ-LJQANCHMSA-N 2 0 343.471 1.444 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(F)(F)F ZINC000572751463 448457550 /nfs/dbraw/zinc/45/75/50/448457550.db2.gz IGCYQBKMZGGGEL-HNNXBMFYSA-N 2 0 332.366 1.656 20 0 EDADRP C[C@@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCC[C@H](C)C1 ZINC000578117345 448463503 /nfs/dbraw/zinc/46/35/03/448463503.db2.gz UUKQWAWVOTUWIV-LUKYLMHMSA-N 2 0 338.496 1.269 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1CCOC ZINC000584400518 448512233 /nfs/dbraw/zinc/51/22/33/448512233.db2.gz RQKLIJAUCRMZOT-KBPBESRZSA-N 2 0 348.438 1.126 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000517230106 448558136 /nfs/dbraw/zinc/55/81/36/448558136.db2.gz NGWBYOVILWSIIU-HIFRSBDPSA-N 2 0 325.478 1.415 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455231 448536388 /nfs/dbraw/zinc/53/63/88/448536388.db2.gz DRWACVABHPGFBG-BBWFWOEESA-N 2 0 328.497 1.379 20 0 EDADRP Cc1c(C(=O)N2CCC[N@@H+](C(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000584472444 448540596 /nfs/dbraw/zinc/54/05/96/448540596.db2.gz QAEVJBDGYXWUES-UHFFFAOYSA-N 2 0 334.468 1.067 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000573486082 448639757 /nfs/dbraw/zinc/63/97/57/448639757.db2.gz ZXLYKAKGELQVDH-SFHVURJKSA-N 2 0 345.487 1.879 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528719502 448644275 /nfs/dbraw/zinc/64/42/75/448644275.db2.gz IOEKFYLQOZNQFM-MRXNPFEDSA-N 2 0 348.447 1.401 20 0 EDADRP CN1CCN(C(=O)C[N@@H+]2CCC[C@]3(CCc4ccccc4O3)C2)CC1 ZINC000528733489 448651379 /nfs/dbraw/zinc/65/13/79/448651379.db2.gz ILLNQUNVCZZRJZ-FQEVSTJZSA-N 2 0 343.471 1.620 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NCc2nccn2CC(F)(F)F)CC1 ZINC000573442997 448628250 /nfs/dbraw/zinc/62/82/50/448628250.db2.gz ZRNUUMIXEODYED-UHFFFAOYSA-N 2 0 334.342 1.348 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000529110126 448764344 /nfs/dbraw/zinc/76/43/44/448764344.db2.gz PHWRMMALCOECAW-OAHLLOKOSA-N 2 0 334.468 1.583 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000518979997 448729090 /nfs/dbraw/zinc/72/90/90/448729090.db2.gz YVHPFAGTXJMBNS-HRCADAONSA-N 2 0 348.491 1.255 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573916991 448746729 /nfs/dbraw/zinc/74/67/29/448746729.db2.gz IHUOCMVSZRSEKE-ZNMIVQPWSA-N 2 0 334.468 1.023 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000567821132 448768053 /nfs/dbraw/zinc/76/80/53/448768053.db2.gz VSQMPDBGVVNUDH-VVLHAWIVSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCc3ccc(C[NH3+])cc3)n2)CC1 ZINC000567865701 448778217 /nfs/dbraw/zinc/77/82/17/448778217.db2.gz CRDKUCKRSSQACS-UHFFFAOYSA-N 2 0 342.447 1.930 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC(C)(C)c2cccc(Cl)c2)CC1 ZINC000574072548 448785166 /nfs/dbraw/zinc/78/51/66/448785166.db2.gz WVTVREASYASYKW-QGZVFWFLSA-N 2 0 339.911 1.816 20 0 EDADRP CC(C)[C@@H](CO)[C@H]([NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000574130329 448795348 /nfs/dbraw/zinc/79/53/48/448795348.db2.gz NRDKDBPRUSTCJN-CWQOZTLDSA-N 2 0 330.513 1.335 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319729 448820618 /nfs/dbraw/zinc/82/06/18/448820618.db2.gz CLZCDLCYGSGBMQ-DOTOQJQBSA-N 2 0 346.475 1.314 20 0 EDADRP CC(C)[C@H](CNC(=O)c1ccn(CC[NH+](C)C)n1)[NH+]1CCC(C)CC1 ZINC000568194197 448833653 /nfs/dbraw/zinc/83/36/53/448833653.db2.gz AEVDACVLIHBFNW-SFHVURJKSA-N 2 0 349.523 1.931 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[N@@H+]1CCOC ZINC000529354867 448838129 /nfs/dbraw/zinc/83/81/29/448838129.db2.gz KMDGHKMSGIZKJY-JKSUJKDBSA-N 2 0 338.496 1.413 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000529375573 448847408 /nfs/dbraw/zinc/84/74/08/448847408.db2.gz OLBBRCHCDWVSHG-QZTJIDSGSA-N 2 0 346.475 1.138 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000574453329 448877369 /nfs/dbraw/zinc/87/73/69/448877369.db2.gz OHZAJABCLROVMZ-OAHLLOKOSA-N 2 0 329.448 1.972 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CC[NH2+]C3CC3)CC2)cc1 ZINC000574583519 448909915 /nfs/dbraw/zinc/90/99/15/448909915.db2.gz KBMBGXLRBXHBRI-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000574742633 448945299 /nfs/dbraw/zinc/94/52/99/448945299.db2.gz WYGMZIVWVDPJND-CQSZACIVSA-N 2 0 333.436 1.064 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000575023494 449015433 /nfs/dbraw/zinc/01/54/33/449015433.db2.gz JSSCKCFRJHPGQR-ZFWWWQNUSA-N 2 0 331.464 1.894 20 0 EDADRP CCc1nc(C)c([C@@H](C)N(C)C[C@H](O)C[N@H+](C)CCOC)s1 ZINC000575076007 449030180 /nfs/dbraw/zinc/03/01/80/449030180.db2.gz VYUIUSLWYINXOS-ZIAGYGMSSA-N 2 0 329.510 1.946 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccsc1 ZINC000592956367 449076186 /nfs/dbraw/zinc/07/61/86/449076186.db2.gz FZGVVLQRSIGHSZ-DOMZBBRYSA-N 2 0 347.488 1.813 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592956255 449076337 /nfs/dbraw/zinc/07/63/37/449076337.db2.gz FQOCXHFNAPGCEO-HUUCEWRRSA-N 2 0 347.507 1.960 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000575127831 449043683 /nfs/dbraw/zinc/04/36/83/449043683.db2.gz RPILPWAIOVYXEY-ZDUSSCGKSA-N 2 0 331.407 1.135 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)CN1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000522060295 449048234 /nfs/dbraw/zinc/04/82/34/449048234.db2.gz JZKFJDIOGQIZPD-YJBOKZPZSA-N 2 0 349.479 1.194 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000522147021 449055902 /nfs/dbraw/zinc/05/59/02/449055902.db2.gz LCXGCTUWGWPUMW-IBGZPJMESA-N 2 0 344.503 1.392 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000522201061 449062321 /nfs/dbraw/zinc/06/23/21/449062321.db2.gz NDRBEBFDDHFYQT-ZWKOTPCHSA-N 2 0 330.476 1.750 20 0 EDADRP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000582311665 449065114 /nfs/dbraw/zinc/06/51/14/449065114.db2.gz TXFWKPBOWJPWMN-MRXNPFEDSA-N 2 0 330.432 1.217 20 0 EDADRP COCCc1noc(CC2CC[NH+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000530230197 449087378 /nfs/dbraw/zinc/08/73/78/449087378.db2.gz FJTUPTBHBBTUCV-UHFFFAOYSA-N 2 0 336.480 1.903 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(CO)ccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000530225094 449088014 /nfs/dbraw/zinc/08/80/14/449088014.db2.gz WOLJUYXPXFALBQ-CRAIPNDOSA-N 2 0 349.450 1.398 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000575399055 449088230 /nfs/dbraw/zinc/08/82/30/449088230.db2.gz LSLGDMRPUFXUEN-ATLSCFEFSA-N 2 0 330.476 1.886 20 0 EDADRP Cc1c(C(=O)NC2CC([NH+]3CCCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000575399624 449088296 /nfs/dbraw/zinc/08/82/96/449088296.db2.gz KZDRSXZDMXVVQA-UHFFFAOYSA-N 2 0 346.479 1.258 20 0 EDADRP CCOC(=O)c1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)n1 ZINC000600118039 449200072 /nfs/dbraw/zinc/20/00/72/449200072.db2.gz PPVMIXFUJMNPMV-HNNXBMFYSA-N 2 0 349.475 1.783 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900982 449241438 /nfs/dbraw/zinc/24/14/38/449241438.db2.gz QXFDNSHLZUFJDJ-HOCLYGCPSA-N 2 0 338.496 1.568 20 0 EDADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900397 449242179 /nfs/dbraw/zinc/24/21/79/449242179.db2.gz FDUGLMCEOYJWHP-UKRRQHHQSA-N 2 0 338.496 1.711 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)OC ZINC000595909689 449248003 /nfs/dbraw/zinc/24/80/03/449248003.db2.gz MQNCFNDTNRIAFE-HWMZRRJGSA-N 2 0 341.496 1.530 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nccc(OC)c2F)CC[NH2+]CC1 ZINC000596650807 449585820 /nfs/dbraw/zinc/58/58/20/449585820.db2.gz KVOBPMVBAHUPFF-LBPRGKRZSA-N 2 0 339.411 1.640 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCO2 ZINC000607240308 449589957 /nfs/dbraw/zinc/58/99/57/449589957.db2.gz PBTHWEJWYIDDQA-UHFFFAOYSA-N 2 0 334.464 1.256 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](OC)C3CCOCC3)C2)CC1 ZINC000602464801 449610813 /nfs/dbraw/zinc/61/08/13/449610813.db2.gz NGRJWWRRCGPCQS-ZWKOTPCHSA-N 2 0 325.497 1.140 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469703 449615495 /nfs/dbraw/zinc/61/54/95/449615495.db2.gz WCYPLJLLKZTLAR-NPMXOYFQSA-N 2 0 343.537 1.114 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N(C[C@H](O)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000614446611 449615768 /nfs/dbraw/zinc/61/57/68/449615768.db2.gz SHODDHARENSNMT-SJORKVTESA-N 2 0 339.524 1.801 20 0 EDADRP O=C1CCCN1C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601062288 449676387 /nfs/dbraw/zinc/67/63/87/449676387.db2.gz ODXZPWYBMIMORH-SFHVURJKSA-N 2 0 337.508 1.558 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601243547 449770093 /nfs/dbraw/zinc/77/00/93/449770093.db2.gz QJNRCJMDFNXNBA-HOTGVXAUSA-N 2 0 340.512 1.110 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+](CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000601330687 449837532 /nfs/dbraw/zinc/83/75/32/449837532.db2.gz XDDWTROYOYCHKR-INIZCTEOSA-N 2 0 348.491 1.263 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](C(C)C)C1 ZINC000601285855 449799363 /nfs/dbraw/zinc/79/93/63/449799363.db2.gz NJKRHWNEGVCLLW-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1 ZINC000608705770 449917023 /nfs/dbraw/zinc/91/70/23/449917023.db2.gz KJSQJQCQPLAVMO-IEBWSBKVSA-N 2 0 332.492 1.851 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612866092 449917743 /nfs/dbraw/zinc/91/77/43/449917743.db2.gz MOWSIMDGEDEBGW-NVXWUHKLSA-N 2 0 326.485 1.175 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000623061101 450386608 /nfs/dbraw/zinc/38/66/08/450386608.db2.gz UAZREWFLHPTARS-UHFFFAOYSA-N 2 0 334.464 1.981 20 0 EDADRP Cc1cc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)ncc1Br ZINC000623404080 450515508 /nfs/dbraw/zinc/51/55/08/450515508.db2.gz QEENYRLIJOSNBS-ZDUSSCGKSA-N 2 0 341.297 1.878 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](C)[C@@H]1C ZINC000620747004 450538306 /nfs/dbraw/zinc/53/83/06/450538306.db2.gz KFBBTOCRNMNBPU-HOTGVXAUSA-N 2 0 340.512 1.118 20 0 EDADRP CN(CCC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)c1cc[nH+]cc1 ZINC000620975590 450567987 /nfs/dbraw/zinc/56/79/87/450567987.db2.gz XYYIFEPZOWWQNL-KRWDZBQOSA-N 2 0 334.464 1.477 20 0 EDADRP Nc1nc(N2CC[NH+](Cc3cccc4ccccc43)CC2)nc(N)[nH+]1 ZINC000623810139 450597568 /nfs/dbraw/zinc/59/75/68/450597568.db2.gz KBHUHQRCIKAIGR-UHFFFAOYSA-N 2 0 335.415 1.172 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Cl)C1)N1CC[NH2+]CC1 ZINC000629508280 450720964 /nfs/dbraw/zinc/72/09/64/450720964.db2.gz QIFBTMXDPUNHCO-CYBMUJFWSA-N 2 0 337.851 1.689 20 0 EDADRP C[C@@H]1CCC[N@H+](CCS(=O)(=O)c2ccccn2)[C@@H]1CCC[NH3+] ZINC000629549905 450730524 /nfs/dbraw/zinc/73/05/24/450730524.db2.gz XBLGZJBXNZWQNS-HUUCEWRRSA-N 2 0 325.478 1.695 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000621511141 450751098 /nfs/dbraw/zinc/75/10/98/450751098.db2.gz DHEQYODCGOLMEU-LJQANCHMSA-N 2 0 346.519 1.997 20 0 EDADRP c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)ccn1 ZINC000629550460 450729935 /nfs/dbraw/zinc/72/99/35/450729935.db2.gz MQFXDWYHKOKHIA-FUMNGEBKSA-N 2 0 344.503 1.793 20 0 EDADRP C[C@H](C(=O)NCCc1c[nH]c2ccccc12)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840335 450808728 /nfs/dbraw/zinc/80/87/28/450808728.db2.gz BQZLSKOSPUMJNQ-IIAWOOMASA-N 2 0 328.460 1.742 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)CC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000621646262 450810481 /nfs/dbraw/zinc/81/04/81/450810481.db2.gz TZYUCMQILXFFLR-OAHLLOKOSA-N 2 0 332.448 1.519 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631849626 450823937 /nfs/dbraw/zinc/82/39/37/450823937.db2.gz PAIJDCLXGWSQGD-SNRMKQJTSA-N 2 0 342.487 1.202 20 0 EDADRP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826217 450799626 /nfs/dbraw/zinc/79/96/26/450799626.db2.gz HYEJAIZOYJGZBE-JKSUJKDBSA-N 2 0 333.480 1.943 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631830098 450801937 /nfs/dbraw/zinc/80/19/37/450801937.db2.gz JLKNJBBLCKLXAR-JKSUJKDBSA-N 2 0 333.480 1.568 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@H]21 ZINC000627649396 450866936 /nfs/dbraw/zinc/86/69/36/450866936.db2.gz VIIMWSAHINFVHO-WNRNVDISSA-N 2 0 328.460 1.312 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+](C)C3CCC3)cn2)CC1 ZINC000629949061 450908330 /nfs/dbraw/zinc/90/83/30/450908330.db2.gz MWDJDTCIVLOAAS-UHFFFAOYSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+]1CCCCCC1 ZINC000627739907 450909917 /nfs/dbraw/zinc/90/99/17/450909917.db2.gz VCYKDBWXWRRBOG-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP Cc1nc[nH]c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000635458254 450958399 /nfs/dbraw/zinc/95/83/99/450958399.db2.gz PIFMOHASVXOGPO-UHFFFAOYSA-N 2 0 328.420 1.055 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)c2C1 ZINC000626888232 450984976 /nfs/dbraw/zinc/98/49/76/450984976.db2.gz JRFIJMQFQBPKHJ-ZFWWWQNUSA-N 2 0 344.459 1.607 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000626922209 451006026 /nfs/dbraw/zinc/00/60/26/451006026.db2.gz QUPMFDVAJFHQHI-IRXDYDNUSA-N 2 0 334.464 1.357 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000635543614 451039756 /nfs/dbraw/zinc/03/97/56/451039756.db2.gz UGAGNYCNDCRRLQ-MRXNPFEDSA-N 2 0 333.480 1.148 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000626993647 451059446 /nfs/dbraw/zinc/05/94/46/451059446.db2.gz JXRPGYZVWYPTTI-KRWDZBQOSA-N 2 0 336.455 1.897 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000632132663 451061020 /nfs/dbraw/zinc/06/10/20/451061020.db2.gz NEGQONKXPGHQFK-KRWDZBQOSA-N 2 0 327.432 1.361 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626999407 451064409 /nfs/dbraw/zinc/06/44/09/451064409.db2.gz ZCTCOKJEFNWVLX-XWUBHJNHSA-N 2 0 348.413 1.638 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011656 451076089 /nfs/dbraw/zinc/07/60/89/451076089.db2.gz HFYHLCMFVUNAOU-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627012909 451076506 /nfs/dbraw/zinc/07/65/06/451076506.db2.gz JOKNINHUBIBDAD-WBVHZDCISA-N 2 0 346.475 1.314 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NS(=O)(=O)CCC[NH+](C)C ZINC000632183806 451098972 /nfs/dbraw/zinc/09/89/72/451098972.db2.gz GEXLFMXJTCEIAG-OAHLLOKOSA-N 2 0 327.494 1.378 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000627088106 451118084 /nfs/dbraw/zinc/11/80/84/451118084.db2.gz FPBWQFUGUAQLFE-FRRDWIJNSA-N 2 0 336.402 1.673 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635639359 451127287 /nfs/dbraw/zinc/12/72/87/451127287.db2.gz GEQMPLXUQGHIAI-ZWKOTPCHSA-N 2 0 337.508 1.963 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627115278 451131390 /nfs/dbraw/zinc/13/13/90/451131390.db2.gz SLBMSUQOZWJRQO-KCMWZYNZSA-N 2 0 346.475 1.580 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCOC(C)(C)C ZINC000632232022 451132734 /nfs/dbraw/zinc/13/27/34/451132734.db2.gz LKXMQCJECBZTJB-UHFFFAOYSA-N 2 0 349.541 1.089 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000627165789 451158595 /nfs/dbraw/zinc/15/85/95/451158595.db2.gz GNRAROWPKTYNPX-JKSUJKDBSA-N 2 0 326.485 1.269 20 0 EDADRP Cc1nc(C)c(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000628210044 451183237 /nfs/dbraw/zinc/18/32/37/451183237.db2.gz FDJOMCIVODDPIV-UHFFFAOYSA-N 2 0 329.448 1.988 20 0 EDADRP CN(C(=O)NCCOCCC[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000627212710 451190038 /nfs/dbraw/zinc/19/00/38/451190038.db2.gz PYZXOQITGUWQRU-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000635741068 451210413 /nfs/dbraw/zinc/21/04/13/451210413.db2.gz ASYQMSLHWZGHDT-OTWHNJEPSA-N 2 0 345.487 1.470 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638086655 451251637 /nfs/dbraw/zinc/25/16/37/451251637.db2.gz IDEOCMDNMCFGON-GOSISDBHSA-N 2 0 348.447 1.271 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)Cn3ccnc3C[NH3+])CC2)cc1 ZINC000630583198 451261523 /nfs/dbraw/zinc/26/15/23/451261523.db2.gz ASBVEHCFOMXUEV-UHFFFAOYSA-N 2 0 341.459 1.385 20 0 EDADRP COCC[C@H]([NH3+])Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630591817 451267776 /nfs/dbraw/zinc/26/77/76/451267776.db2.gz HPLUYKHDEQBBOZ-WMZOPIPTSA-N 2 0 329.448 1.631 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000638109878 451277046 /nfs/dbraw/zinc/27/70/46/451277046.db2.gz XERKGORJDOUMDI-UHFFFAOYSA-N 2 0 329.404 1.518 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638113218 451281194 /nfs/dbraw/zinc/28/11/94/451281194.db2.gz ZSEOEBMPPBPALC-QAPCUYQASA-N 2 0 325.497 1.759 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000638121551 451289782 /nfs/dbraw/zinc/28/97/82/451289782.db2.gz GAZWJXJMYAFMRO-YTQUADARSA-N 2 0 346.519 1.777 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124302 451293541 /nfs/dbraw/zinc/29/35/41/451293541.db2.gz RXRYMPVHCZFNQH-KBAYOESNSA-N 2 0 332.492 1.387 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C1 ZINC000638134824 451306483 /nfs/dbraw/zinc/30/64/83/451306483.db2.gz QHPJUMJEUWOFME-RRQGHBQHSA-N 2 0 333.432 1.462 20 0 EDADRP CC[NH2+][C@H](C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000638138724 451314412 /nfs/dbraw/zinc/31/44/12/451314412.db2.gz GBQFCLKDRCOJOZ-MRXNPFEDSA-N 2 0 338.540 1.639 20 0 EDADRP [NH3+][C@@H](CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000638153392 451324709 /nfs/dbraw/zinc/32/47/09/451324709.db2.gz IUYUVGZYMKXDJM-KRWDZBQOSA-N 2 0 330.476 1.224 20 0 EDADRP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638229831 451370580 /nfs/dbraw/zinc/37/05/80/451370580.db2.gz QSUQAWGQFHQHHG-MOPGFXCFSA-N 2 0 342.487 1.015 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCC1C[NH2+]C1 ZINC000638230158 451370771 /nfs/dbraw/zinc/37/07/71/451370771.db2.gz ARJLPUUZBRLQQD-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CC[C@@H](O)C2)c1 ZINC000636675652 451406222 /nfs/dbraw/zinc/40/62/22/451406222.db2.gz GPLLZRFITJUXNO-QGZVFWFLSA-N 2 0 334.464 1.004 20 0 EDADRP C[C@@H](O)CN1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)C1 ZINC000640569117 451413336 /nfs/dbraw/zinc/41/33/36/451413336.db2.gz HPOQEHGJYKGKCK-ZIAGYGMSSA-N 2 0 335.452 1.062 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638327840 451436054 /nfs/dbraw/zinc/43/60/54/451436054.db2.gz FPWKXMVYETZGFT-HKUYNNGSSA-N 2 0 327.472 1.865 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000638331705 451438208 /nfs/dbraw/zinc/43/82/08/451438208.db2.gz KVULDBHEVGCGBT-UHFFFAOYSA-N 2 0 334.508 1.195 20 0 EDADRP O=C(CC1CSC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000630868288 451449174 /nfs/dbraw/zinc/44/91/74/451449174.db2.gz ZTYOCYLGPGFZGX-UHFFFAOYSA-N 2 0 334.489 1.463 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccc3ncccc23)C1)N1CC[NH2+]CC1 ZINC000634687691 451465630 /nfs/dbraw/zinc/46/56/30/451465630.db2.gz VSRIXBNEBNKZRX-QGZVFWFLSA-N 2 0 338.455 1.879 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC2(O)CCOCC2)c1 ZINC000634700491 451473943 /nfs/dbraw/zinc/47/39/43/451473943.db2.gz ANNCOPOQEXZZDF-GOSISDBHSA-N 2 0 336.476 1.520 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cn1 ZINC000630909740 451478105 /nfs/dbraw/zinc/47/81/05/451478105.db2.gz AFTBUZNGRFUANE-QGZVFWFLSA-N 2 0 333.480 1.535 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000638400671 451489869 /nfs/dbraw/zinc/48/98/69/451489869.db2.gz KZRRVSFXLSUTBO-PKOBYXMFSA-N 2 0 345.487 1.803 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000630860806 451444915 /nfs/dbraw/zinc/44/49/15/451444915.db2.gz QGYNWGJADZOZOJ-ZWKOTPCHSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000638344335 451447565 /nfs/dbraw/zinc/44/75/65/451447565.db2.gz PCTDAWAQASXUKV-NUJGCVRESA-N 2 0 345.487 1.910 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000634724282 451505699 /nfs/dbraw/zinc/50/56/99/451505699.db2.gz NGDSPMUNJJWCCJ-HOJAQTOUSA-N 2 0 347.503 1.037 20 0 EDADRP CC(C)c1nccn1CC(=O)N[C@H](c1nccn1C)C(C)(C)CO ZINC000636145360 451546734 /nfs/dbraw/zinc/54/67/34/451546734.db2.gz ZGRXTZKAFLWSFG-CQSZACIVSA-N 2 0 333.436 1.616 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638511516 451552999 /nfs/dbraw/zinc/55/29/99/451552999.db2.gz ATKIUXPZPCJKNM-MOPGFXCFSA-N 2 0 345.487 1.734 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526773 451558281 /nfs/dbraw/zinc/55/82/81/451558281.db2.gz PRLZTWHIXYWLQH-INIZCTEOSA-N 2 0 348.491 1.941 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)c2ccccc2)CC1 ZINC000631062053 451562649 /nfs/dbraw/zinc/56/26/49/451562649.db2.gz ORCDBGCUSALMSY-SFHVURJKSA-N 2 0 326.444 1.866 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000638555393 451574913 /nfs/dbraw/zinc/57/49/13/451574913.db2.gz IBGZDGJGOZUIMG-UTLUCORTSA-N 2 0 329.313 1.217 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000638601618 451598945 /nfs/dbraw/zinc/59/89/45/451598945.db2.gz GEHRTRRWHCTILZ-KRWDZBQOSA-N 2 0 331.460 1.790 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000638564129 451578671 /nfs/dbraw/zinc/57/86/71/451578671.db2.gz SLHMFSFMROWGHV-YWVKMMECSA-N 2 0 347.303 1.514 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000634950352 451620385 /nfs/dbraw/zinc/62/03/85/451620385.db2.gz PPCLVMTZAZKLKG-GOSISDBHSA-N 2 0 330.476 1.063 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780737 451689651 /nfs/dbraw/zinc/68/96/51/451689651.db2.gz UUNHOYMQFRYNDH-RTBURBONSA-N 2 0 343.471 1.318 20 0 EDADRP C[C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+]1CCCCCC1 ZINC000638783094 451689824 /nfs/dbraw/zinc/68/98/24/451689824.db2.gz HILFLJARYFRAQK-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[C@@H](CC[NH2+]Cc2cnc(N)nc2N)C[N@@H+]1Cc1ccccc1 ZINC000638797148 451693910 /nfs/dbraw/zinc/69/39/10/451693910.db2.gz PASUQGRKPNXSIY-GOEBONIOSA-N 2 0 340.475 1.692 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638803847 451695981 /nfs/dbraw/zinc/69/59/81/451695981.db2.gz QBZNWYFQEQSQFH-QZTJIDSGSA-N 2 0 331.460 1.393 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000636445882 451711756 /nfs/dbraw/zinc/71/17/56/451711756.db2.gz YWKQBDQRQIFLJQ-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000632960963 451670028 /nfs/dbraw/zinc/67/00/28/451670028.db2.gz LQWRXYICZBLXTL-KBPBESRZSA-N 2 0 334.468 1.598 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139401 451739352 /nfs/dbraw/zinc/73/93/52/451739352.db2.gz JYQAULOTGBSQBQ-RBSFLKMASA-N 2 0 338.452 1.075 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000638938957 451740344 /nfs/dbraw/zinc/74/03/44/451740344.db2.gz ZRBKZLPYZCYXJD-RDJZCZTQSA-N 2 0 330.476 1.779 20 0 EDADRP CCOC1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCOCC1 ZINC000638985165 451746576 /nfs/dbraw/zinc/74/65/76/451746576.db2.gz AZVIQPLIPCKRCF-UHFFFAOYSA-N 2 0 334.420 1.015 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC[N@@H+]1C ZINC000639018469 451752719 /nfs/dbraw/zinc/75/27/19/451752719.db2.gz KUYGSURLUJYAMP-CGTJXYLNSA-N 2 0 333.476 1.718 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[C@H]([NH3+])CC3)CC2)c1 ZINC000639041252 451756249 /nfs/dbraw/zinc/75/62/49/451756249.db2.gz GINPSUXOVSGAHX-IYARVYRRSA-N 2 0 344.503 1.893 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641173939 451769262 /nfs/dbraw/zinc/76/92/62/451769262.db2.gz HCAVMXBWUQBBTF-SJORKVTESA-N 2 0 328.460 1.821 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000637262717 451773590 /nfs/dbraw/zinc/77/35/90/451773590.db2.gz BVYKJYWIVSCZQD-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641214291 451783934 /nfs/dbraw/zinc/78/39/34/451783934.db2.gz CAZVWCOCNUQOLP-PKOBYXMFSA-N 2 0 343.475 1.313 20 0 EDADRP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644574021 451870245 /nfs/dbraw/zinc/87/02/45/451870245.db2.gz NJWXDTJMNIDQIC-VQTJNVASSA-N 2 0 333.520 1.986 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000637455363 451870348 /nfs/dbraw/zinc/87/03/48/451870348.db2.gz HBIYGFWVNJHSFJ-NXOAAHMSSA-N 2 0 342.528 1.713 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649278621 451949065 /nfs/dbraw/zinc/94/90/65/451949065.db2.gz RBELKKVPDRYKCO-IEBWSBKVSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733442 451942793 /nfs/dbraw/zinc/94/27/93/451942793.db2.gz ODBUVPKQDSSLCI-RDJZCZTQSA-N 2 0 346.475 1.135 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000649272171 451944951 /nfs/dbraw/zinc/94/49/51/451944951.db2.gz RKXUFFPIOZNRSV-UHFFFAOYSA-N 2 0 330.476 1.260 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCC2)cc1 ZINC000649277180 451947628 /nfs/dbraw/zinc/94/76/28/451947628.db2.gz KMUVXLMPNHFJEV-XDNAFOTISA-N 2 0 329.444 1.414 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCCC2)cc1 ZINC000649277081 451947911 /nfs/dbraw/zinc/94/79/11/451947911.db2.gz BRLDCXSESHYTMQ-NRSFXHEJSA-N 2 0 329.444 1.699 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCCC2)c1 ZINC000649279278 451950933 /nfs/dbraw/zinc/95/09/33/451950933.db2.gz CNKXSXUVYWPSOL-NRSFXHEJSA-N 2 0 329.444 1.699 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649288337 451962457 /nfs/dbraw/zinc/96/24/57/451962457.db2.gz LBKQLQOMMZEPGU-INIZCTEOSA-N 2 0 345.487 1.913 20 0 EDADRP COCCC1(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC[NH2+]CC1 ZINC000649292997 451968518 /nfs/dbraw/zinc/96/85/18/451968518.db2.gz SSRNPXVOYOWMQY-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000649305972 451983462 /nfs/dbraw/zinc/98/34/62/451983462.db2.gz RELGHNNSVMWNGJ-LJQANCHMSA-N 2 0 344.459 1.213 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])ccc2oc1=O ZINC000649312346 451989095 /nfs/dbraw/zinc/98/90/95/451989095.db2.gz IZZAFVIIZGTELF-GXTWGEPZSA-N 2 0 346.431 1.470 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000649311462 451989557 /nfs/dbraw/zinc/98/95/57/451989557.db2.gz RRPJNKBSKZGCTH-HNAYVOBHSA-N 2 0 331.460 1.318 20 0 EDADRP COCCC1(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000649315250 451994823 /nfs/dbraw/zinc/99/48/23/451994823.db2.gz XXLGIQPVLLVSGS-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000649321407 452000157 /nfs/dbraw/zinc/00/01/57/452000157.db2.gz WUUJIHTZISMYSL-KURKYZTESA-N 2 0 345.487 1.770 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1C ZINC000649339496 452019453 /nfs/dbraw/zinc/01/94/53/452019453.db2.gz CMUBTGDDSWWIGC-GPFKCLTHSA-N 2 0 345.491 1.163 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682085 452020998 /nfs/dbraw/zinc/02/09/98/452020998.db2.gz KEFCLVIPMNBNDQ-QGZVFWFLSA-N 2 0 345.491 1.146 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342656 452023613 /nfs/dbraw/zinc/02/36/13/452023613.db2.gz HDOMSPGECIZNNJ-HZPDHXFCSA-N 2 0 337.414 1.964 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649345220 452026146 /nfs/dbraw/zinc/02/61/46/452026146.db2.gz QHMXPGXBEZXLOS-YRXWBPOGSA-N 2 0 327.472 1.822 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)c2ccccc2O1 ZINC000649347257 452029969 /nfs/dbraw/zinc/02/99/69/452029969.db2.gz MTYXXSPYUNEGAW-QWHCGFSZSA-N 2 0 339.386 1.587 20 0 EDADRP COCCC1(C(=O)N2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000649349322 452032396 /nfs/dbraw/zinc/03/23/96/452032396.db2.gz AUXHUAMBLCCGOS-UHFFFAOYSA-N 2 0 332.448 1.137 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000649351706 452035114 /nfs/dbraw/zinc/03/51/14/452035114.db2.gz LBTCNBSBVXLIKP-LJQANCHMSA-N 2 0 346.475 1.141 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000649379193 452051800 /nfs/dbraw/zinc/05/18/00/452051800.db2.gz QXGSCQAKNKWVHJ-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000649411088 452074294 /nfs/dbraw/zinc/07/42/94/452074294.db2.gz ODGLSOKDWKCUMN-HKUYNNGSSA-N 2 0 333.476 1.534 20 0 EDADRP CC[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649416863 452080224 /nfs/dbraw/zinc/08/02/24/452080224.db2.gz OEBDWBZOHFEYEV-IAGOWNOFSA-N 2 0 345.491 1.180 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnnn2-c2ccccc2)CC1(C)C ZINC000651794350 452081944 /nfs/dbraw/zinc/08/19/44/452081944.db2.gz VZBAJGIBORHQGF-UHFFFAOYSA-N 2 0 328.464 1.383 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000647180214 452109538 /nfs/dbraw/zinc/10/95/38/452109538.db2.gz NAWRRZBPUSFPOC-CQSZACIVSA-N 2 0 331.464 1.714 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000647181202 452110704 /nfs/dbraw/zinc/11/07/04/452110704.db2.gz PGYLBSFISGTTLO-CQSZACIVSA-N 2 0 331.464 1.714 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000637967312 452213121 /nfs/dbraw/zinc/21/31/21/452213121.db2.gz OPILRDDVYOQQJK-UHFFFAOYSA-N 2 0 348.491 1.703 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654045067 452217595 /nfs/dbraw/zinc/21/75/95/452217595.db2.gz KMXSUPDKESMISN-JKSUJKDBSA-N 2 0 332.448 1.073 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643451975 452229870 /nfs/dbraw/zinc/22/98/70/452229870.db2.gz IBOOSSXOQLEUEC-WCXIOVBPSA-N 2 0 332.444 1.745 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000641757943 452240490 /nfs/dbraw/zinc/24/04/90/452240490.db2.gz MOJHMFDMZTXZFF-HZPDHXFCSA-N 2 0 340.512 1.374 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CC3CC2(C[NH3+])C3)[NH+](C)C)cc1 ZINC000659427013 452269175 /nfs/dbraw/zinc/26/91/75/452269175.db2.gz ITQNCXSTHADXDW-RMXPPQQLSA-N 2 0 330.476 1.984 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000641798975 452275831 /nfs/dbraw/zinc/27/58/31/452275831.db2.gz SEJZYYPIQKMXKH-HUUCEWRRSA-N 2 0 334.464 1.626 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000659431474 452276344 /nfs/dbraw/zinc/27/63/44/452276344.db2.gz NCKWXXRFUMFSQK-HRCADAONSA-N 2 0 348.491 1.703 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1)c1ccccc1 ZINC000661489051 452290590 /nfs/dbraw/zinc/29/05/90/452290590.db2.gz AURINWIHEGFLAO-RLLQIKCJSA-N 2 0 345.487 1.764 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000655495063 452294024 /nfs/dbraw/zinc/29/40/24/452294024.db2.gz RSOJTNAKXGHZJA-SPYBWZPUSA-N 2 0 337.508 1.852 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000655494967 452294274 /nfs/dbraw/zinc/29/42/74/452294274.db2.gz JCYXAYUAPMYNKZ-CQSZACIVSA-N 2 0 334.468 1.149 20 0 EDADRP C[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C)[C@H]2CCO)[C@@H]1CCO ZINC000661490354 452295421 /nfs/dbraw/zinc/29/54/21/452295421.db2.gz FAYCCTPKYYQAQF-RHQZKXFESA-N 2 0 342.524 1.313 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659450882 452300209 /nfs/dbraw/zinc/30/02/09/452300209.db2.gz HAPRZULOAKYPCZ-QGZVFWFLSA-N 2 0 332.492 1.930 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000638054348 452333463 /nfs/dbraw/zinc/33/34/63/452333463.db2.gz OUWSWRJJAAZMLD-MJGOQNOKSA-N 2 0 331.460 1.666 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638054546 452339397 /nfs/dbraw/zinc/33/93/97/452339397.db2.gz FYJOPSQKVBINGC-UHFFFAOYSA-N 2 0 347.488 1.981 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000652157454 452351256 /nfs/dbraw/zinc/35/12/56/452351256.db2.gz BVYYSCFXAYVXHG-UHFFFAOYSA-N 2 0 344.503 1.775 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000647624606 452360531 /nfs/dbraw/zinc/36/05/31/452360531.db2.gz HKQHKLHPGYDZAY-MJGOQNOKSA-N 2 0 337.508 1.699 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638063292 452360748 /nfs/dbraw/zinc/36/07/48/452360748.db2.gz LBGIVKRSMYZUQJ-FQEVSTJZSA-N 2 0 345.487 1.831 20 0 EDADRP COC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCCC[NH2+]1 ZINC000638064017 452363166 /nfs/dbraw/zinc/36/31/66/452363166.db2.gz RFMHZHRPHSZURB-IBGZPJMESA-N 2 0 349.475 1.402 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638064525 452363803 /nfs/dbraw/zinc/36/38/03/452363803.db2.gz VNKQRHMPLFYJFC-JXFKEZNVSA-N 2 0 345.487 1.913 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638066005 452367792 /nfs/dbraw/zinc/36/77/92/452367792.db2.gz DDAOFHVDFYGMPR-GOSISDBHSA-N 2 0 325.497 1.712 20 0 EDADRP CC[C@H](CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000638067917 452368894 /nfs/dbraw/zinc/36/88/94/452368894.db2.gz GUVYJPMZCHSDQO-QWFCFKBJSA-N 2 0 345.487 1.707 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652176948 452371960 /nfs/dbraw/zinc/37/19/60/452371960.db2.gz VYUIBZBWJHNKPP-KBAYOESNSA-N 2 0 348.491 1.512 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638069445 452372516 /nfs/dbraw/zinc/37/25/16/452372516.db2.gz KEEZSHATJKVVJM-FUHWJXTLSA-N 2 0 332.492 1.294 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659520976 452384695 /nfs/dbraw/zinc/38/46/95/452384695.db2.gz AUKAFISBFLJJBM-GOSISDBHSA-N 2 0 347.507 1.966 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638074455 452386052 /nfs/dbraw/zinc/38/60/52/452386052.db2.gz BCGDMYOHQFJNOC-IBGZPJMESA-N 2 0 346.519 1.779 20 0 EDADRP CN(CC(=O)N1CCN(C)CC1)Cc1cncn1Cc1ccccc1 ZINC000640051054 452393180 /nfs/dbraw/zinc/39/31/80/452393180.db2.gz DUFNQKKZUSXALH-UHFFFAOYSA-N 2 0 341.459 1.137 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(C)C[NH2+]CCO2)cc1Cl ZINC000638079673 452395301 /nfs/dbraw/zinc/39/53/01/452395301.db2.gz GQSAKZSHSFNQOQ-MRXNPFEDSA-N 2 0 341.839 1.597 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000638080461 452395814 /nfs/dbraw/zinc/39/58/14/452395814.db2.gz BTAULRAGKIWKKL-UHFFFAOYSA-N 2 0 339.443 1.577 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638081090 452397642 /nfs/dbraw/zinc/39/76/42/452397642.db2.gz UFDGOGRZFUPSAB-BJLQDIEVSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659549770 452407433 /nfs/dbraw/zinc/40/74/33/452407433.db2.gz SXQYBNDJYADAKH-CRAIPNDOSA-N 2 0 348.491 1.570 20 0 EDADRP CN(C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC[NH2+]CC1 ZINC000659567497 452423228 /nfs/dbraw/zinc/42/32/28/452423228.db2.gz WDHPIFACSIAVNX-UHFFFAOYSA-N 2 0 345.491 1.687 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567676 452424567 /nfs/dbraw/zinc/42/45/67/452424567.db2.gz XWVDXSADGCDHRH-KRWDZBQOSA-N 2 0 331.464 1.297 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CCCC1 ZINC000659574651 452429078 /nfs/dbraw/zinc/42/90/78/452429078.db2.gz DBEQGXPKFCCVOB-UHFFFAOYSA-N 2 0 338.496 1.448 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000659575486 452430597 /nfs/dbraw/zinc/43/05/97/452430597.db2.gz OQBKQPYSNKEZOR-BZZMCLGOSA-N 2 0 330.476 1.901 20 0 EDADRP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H](C)[C@H]1O ZINC000661628875 452450678 /nfs/dbraw/zinc/45/06/78/452450678.db2.gz VDFONONULZNHAU-GFIVTLFCSA-N 2 0 333.476 1.354 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000647721192 452454699 /nfs/dbraw/zinc/45/46/99/452454699.db2.gz MMARALWOGURXRG-QGZVFWFLSA-N 2 0 348.491 1.330 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(F)c1 ZINC000652268819 452457366 /nfs/dbraw/zinc/45/73/66/452457366.db2.gz MXCQFPXHJRDCKP-GOEBONIOSA-N 2 0 334.439 1.816 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c(F)c1 ZINC000652268697 452457412 /nfs/dbraw/zinc/45/74/12/452457412.db2.gz JLVSVXRHTFKLKP-HNNXBMFYSA-N 2 0 334.439 1.816 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659608052 452464195 /nfs/dbraw/zinc/46/41/95/452464195.db2.gz JSXNIONZAGDHAN-SFHVURJKSA-N 2 0 346.475 1.410 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000652291962 452476520 /nfs/dbraw/zinc/47/65/20/452476520.db2.gz PKJALNRWLSAHOJ-ZWKOTPCHSA-N 2 0 330.476 1.937 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652312910 452487528 /nfs/dbraw/zinc/48/75/28/452487528.db2.gz FPGXIWSFQFUNFE-UHFFFAOYSA-N 2 0 333.480 1.545 20 0 EDADRP CCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663765421 452495319 /nfs/dbraw/zinc/49/53/19/452495319.db2.gz XPRZCTVUFNQXMI-MSOLQXFVSA-N 2 0 332.492 1.895 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NCc3ccccc3)C2)C1 ZINC000652345764 452518734 /nfs/dbraw/zinc/51/87/34/452518734.db2.gz LICKTRQPJHHPNU-KURKYZTESA-N 2 0 331.460 1.521 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NCc3ccc(F)cc3)C2)C1 ZINC000652345460 452520390 /nfs/dbraw/zinc/52/03/90/452520390.db2.gz CEUMCXWPVIKNAN-NXHRZFHOSA-N 2 0 349.450 1.660 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347071 452521880 /nfs/dbraw/zinc/52/18/80/452521880.db2.gz QCPWROAYEGJPCH-JONQDZQNSA-N 2 0 325.497 1.898 20 0 EDADRP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cnc1N1CCOCC1 ZINC000647794707 452527304 /nfs/dbraw/zinc/52/73/04/452527304.db2.gz BIGVGTHPOMDTHL-OWCLPIDISA-N 2 0 334.439 1.535 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000666090192 452579694 /nfs/dbraw/zinc/57/96/94/452579694.db2.gz MCUVSYXSKLVINN-WBVHZDCISA-N 2 0 332.492 1.779 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000657927042 452616552 /nfs/dbraw/zinc/61/65/52/452616552.db2.gz XFXVNAAKLHNUPM-IPMKNSEASA-N 2 0 340.508 1.786 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655911707 452667785 /nfs/dbraw/zinc/66/77/85/452667785.db2.gz LWPMGUHUOJOULV-XQQFMLRXSA-N 2 0 338.418 1.933 20 0 EDADRP Cc1cc(NC(=O)NCC[C@H](C)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000666282831 452742017 /nfs/dbraw/zinc/74/20/17/452742017.db2.gz MIHJVSVFPFDSIJ-AWEZNQCLSA-N 2 0 336.484 1.920 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1)c1ccccc1 ZINC000662029561 452782208 /nfs/dbraw/zinc/78/22/08/452782208.db2.gz BCQBNXNRXXWYCE-KZNAEPCWSA-N 2 0 331.460 1.374 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccccc1-n1cncn1)CCO2 ZINC000648071423 452799351 /nfs/dbraw/zinc/79/93/51/452799351.db2.gz AMJLOWDQLCFWHV-UHFFFAOYSA-N 2 0 327.432 1.564 20 0 EDADRP O=C([C@@H]1C[NH2+]CCOC1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648117660 452833054 /nfs/dbraw/zinc/83/30/54/452833054.db2.gz GTCKTWFSZKLKRQ-HZPDHXFCSA-N 2 0 349.500 1.455 20 0 EDADRP CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000654720593 452835062 /nfs/dbraw/zinc/83/50/62/452835062.db2.gz XZAMXCXFJMBLSI-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc3c[nH]nc32)(N2CCOCC2)CC1 ZINC000666407260 452847218 /nfs/dbraw/zinc/84/72/18/452847218.db2.gz QMKCCUPRQHKKRH-UHFFFAOYSA-N 2 0 343.475 1.449 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)o1 ZINC000650584616 452856642 /nfs/dbraw/zinc/85/66/42/452856642.db2.gz ZHNKOEAVWRHDHR-OAHLLOKOSA-N 2 0 337.464 1.698 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)cc1 ZINC000648146693 452859010 /nfs/dbraw/zinc/85/90/10/452859010.db2.gz VQTNHXZOENOLEB-SJORKVTESA-N 2 0 327.432 1.390 20 0 EDADRP O[C@H]1CC[N@@H+](C2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000662150966 452886130 /nfs/dbraw/zinc/88/61/30/452886130.db2.gz CVBQLNNIUJUGQR-UXHICEINSA-N 2 0 329.488 1.792 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C2CCC([NH3+])CC2)CCC[N@@H+]1C ZINC000648176050 452888374 /nfs/dbraw/zinc/88/83/74/452888374.db2.gz TULCXJFCZKOYFL-KXJMLMMSSA-N 2 0 333.480 1.437 20 0 EDADRP CC1(OCC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C[NH2+]C1 ZINC000648180187 452892041 /nfs/dbraw/zinc/89/20/41/452892041.db2.gz CEFZPSWIEKCPSR-DLBZAZTESA-N 2 0 329.444 1.098 20 0 EDADRP COc1c(N)ncnc1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664234750 452908800 /nfs/dbraw/zinc/90/88/00/452908800.db2.gz AFUKQYNGKHWMMO-AWEZNQCLSA-N 2 0 329.404 1.246 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000658424421 452949298 /nfs/dbraw/zinc/94/92/98/452949298.db2.gz NQNNZPZYOFTNQU-AWEZNQCLSA-N 2 0 334.464 1.452 20 0 EDADRP CO[C@H](C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)C1CCCCC1 ZINC000662242408 452970548 /nfs/dbraw/zinc/97/05/48/452970548.db2.gz DXHORBMFAXSLTO-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)Nc1nc(NCCO)nc(N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)n1 ZINC000656225047 452974893 /nfs/dbraw/zinc/97/48/93/452974893.db2.gz BQQVYLGPVZBRLX-KBPBESRZSA-N 2 0 349.483 1.525 20 0 EDADRP C[C@H]1CCCN(C(=O)C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662251876 452977715 /nfs/dbraw/zinc/97/77/15/452977715.db2.gz IDRWFZVOGXMTER-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP COc1ccc(OC)c(C[N@H+](CCO)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662253677 452980976 /nfs/dbraw/zinc/98/09/76/452980976.db2.gz BJSUAKWQSSUPKQ-MRXNPFEDSA-N 2 0 336.432 1.019 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000646002753 452997305 /nfs/dbraw/zinc/99/73/05/452997305.db2.gz BPPCCBFCKSNWER-RTBURBONSA-N 2 0 344.503 1.705 20 0 EDADRP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292273 453014162 /nfs/dbraw/zinc/01/41/62/453014162.db2.gz CVAHYHYKCWDOKI-NVXWUHKLSA-N 2 0 331.464 1.237 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294672 453017174 /nfs/dbraw/zinc/01/71/74/453017174.db2.gz RROPCYGAZZJICQ-AEFFLSMTSA-N 2 0 336.524 1.251 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315416 453032693 /nfs/dbraw/zinc/03/26/93/453032693.db2.gz FIFIHNASPHEJRN-DOTOQJQBSA-N 2 0 331.460 1.682 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)CCCC[NH3+])CC1 ZINC000646047765 453054271 /nfs/dbraw/zinc/05/42/71/453054271.db2.gz KLASALFEAZJVLK-UHFFFAOYSA-N 2 0 348.491 1.405 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338256 453056782 /nfs/dbraw/zinc/05/67/82/453056782.db2.gz PLTYTXFJSIUOKZ-CVEARBPZSA-N 2 0 333.480 1.568 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000662348020 453063188 /nfs/dbraw/zinc/06/31/88/453063188.db2.gz PGNFGOZTNPTIOB-CJNGLKHVSA-N 2 0 345.422 1.658 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000662355176 453069338 /nfs/dbraw/zinc/06/93/38/453069338.db2.gz JWHJMSBNFGSLJY-UHFFFAOYSA-N 2 0 341.415 1.499 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000654970495 453089424 /nfs/dbraw/zinc/08/94/24/453089424.db2.gz USTYYFJICKLZOU-QGZVFWFLSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1(CO)CC=CC1 ZINC000646085769 453094694 /nfs/dbraw/zinc/09/46/94/453094694.db2.gz QTACQPVXYZEBNI-IBGZPJMESA-N 2 0 349.519 1.672 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662387285 453096432 /nfs/dbraw/zinc/09/64/32/453096432.db2.gz ROXFHPJIIWRSCR-RBSFLKMASA-N 2 0 333.480 1.584 20 0 EDADRP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc(C)n1 ZINC000656340638 453101453 /nfs/dbraw/zinc/10/14/53/453101453.db2.gz RPCBKLADSDZSBM-DLBZAZTESA-N 2 0 344.459 1.448 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103270 453104583 /nfs/dbraw/zinc/10/45/83/453104583.db2.gz NEQZVHNMNRPZOI-KRWDZBQOSA-N 2 0 334.460 1.531 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662394825 453106460 /nfs/dbraw/zinc/10/64/60/453106460.db2.gz OMMVWIZPTVOIRZ-KRWDZBQOSA-N 2 0 325.412 1.771 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662399613 453110852 /nfs/dbraw/zinc/11/08/52/453110852.db2.gz XQOUHSXBVBXQPY-INIZCTEOSA-N 2 0 342.447 1.955 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000654995183 453113537 /nfs/dbraw/zinc/11/35/37/453113537.db2.gz YJRSJUONAZKBCN-MRXNPFEDSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662402987 453115486 /nfs/dbraw/zinc/11/54/86/453115486.db2.gz QQGYFEMAVXARJP-KFWWJZLASA-N 2 0 347.507 1.973 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000662416376 453125830 /nfs/dbraw/zinc/12/58/30/453125830.db2.gz CKGBTTHAQJYONG-DOTOQJQBSA-N 2 0 341.459 1.828 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000666770413 453134105 /nfs/dbraw/zinc/13/41/05/453134105.db2.gz ZHMJOQZNLGLGFR-KRWDZBQOSA-N 2 0 344.459 1.561 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000662433580 453142510 /nfs/dbraw/zinc/14/25/10/453142510.db2.gz KSSFBKQSNYEPBW-CJNGLKHVSA-N 2 0 336.455 1.753 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434401 453142889 /nfs/dbraw/zinc/14/28/89/453142889.db2.gz BBGWDKMOMFOSBT-HOCLYGCPSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc2c1C[NH2+]C2 ZINC000662447323 453153335 /nfs/dbraw/zinc/15/33/35/453153335.db2.gz RLQRCWXUEUBPAC-UHFFFAOYSA-N 2 0 329.444 1.665 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@@H]1CCOC1 ZINC000660275660 453167380 /nfs/dbraw/zinc/16/73/80/453167380.db2.gz DIAXLTLUEWMHGV-MSOLQXFVSA-N 2 0 339.524 1.387 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662474707 453187493 /nfs/dbraw/zinc/18/74/93/453187493.db2.gz BFHANAYPKVSFHU-QGZVFWFLSA-N 2 0 333.476 1.763 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000666926185 453253192 /nfs/dbraw/zinc/25/31/92/453253192.db2.gz KZXFCUWKBMIMEU-CQSZACIVSA-N 2 0 334.468 1.756 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662552727 453282905 /nfs/dbraw/zinc/28/29/05/453282905.db2.gz RZZFXXFKBXCNPJ-KXBFYZLASA-N 2 0 341.455 1.989 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000662556784 453286219 /nfs/dbraw/zinc/28/62/19/453286219.db2.gz DJOMHWBDAYRELM-LBPRGKRZSA-N 2 0 330.436 1.880 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000666971791 453286955 /nfs/dbraw/zinc/28/69/55/453286955.db2.gz HGLGNUYXEKJHMZ-SJORKVTESA-N 2 0 336.480 1.119 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662565651 453292236 /nfs/dbraw/zinc/29/22/36/453292236.db2.gz FDZYWJYIKOSMDX-MJGOQNOKSA-N 2 0 341.455 1.989 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662567184 453294161 /nfs/dbraw/zinc/29/41/61/453294161.db2.gz IQXMRMRQAGXROT-CLCXKQKWSA-N 2 0 341.455 1.987 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000653112328 453300488 /nfs/dbraw/zinc/30/04/88/453300488.db2.gz VMYVTHHWTVBORS-SFHVURJKSA-N 2 0 332.492 1.933 20 0 EDADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653122071 453313427 /nfs/dbraw/zinc/31/34/27/453313427.db2.gz KRYSCIVYQHZONL-ROUUACIJSA-N 2 0 335.492 1.620 20 0 EDADRP Nc1nc(-n2cccn2)cc(NC[C@H]2CCC[N@H+](CC3CC3)C2)[nH+]1 ZINC000664679070 453313661 /nfs/dbraw/zinc/31/36/61/453313661.db2.gz NWGBNMRCDGUNTN-CQSZACIVSA-N 2 0 327.436 1.778 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586800 453313776 /nfs/dbraw/zinc/31/37/76/453313776.db2.gz OCRQKBRAJBFWHU-OAHLLOKOSA-N 2 0 346.479 1.054 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000646319575 453315277 /nfs/dbraw/zinc/31/52/77/453315277.db2.gz LMKPDRJOSAHQBB-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662614232 453334419 /nfs/dbraw/zinc/33/44/19/453334419.db2.gz NZAHJRBBLYKHOE-HKUYNNGSSA-N 2 0 335.492 1.383 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](N)CC[NH+](C)C)c2)CC1 ZINC000653156285 453347526 /nfs/dbraw/zinc/34/75/26/453347526.db2.gz XBALYKVFBKXJKM-SFHVURJKSA-N 2 0 347.507 1.435 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000653164849 453359108 /nfs/dbraw/zinc/35/91/08/453359108.db2.gz NEOWKSXLFMACGI-XWTMOSNGSA-N 2 0 331.435 2.000 20 0 EDADRP CC(C)[NH+](CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C(C)C ZINC000662661092 453374222 /nfs/dbraw/zinc/37/42/22/453374222.db2.gz JOTOMJRXFAACOG-HNNXBMFYSA-N 2 0 336.484 1.441 20 0 EDADRP COc1cccc([C@H](CNC(=O)c2cc(C(C)(C)[NH3+])no2)[NH+](C)C)c1 ZINC000662663690 453378642 /nfs/dbraw/zinc/37/86/42/453378642.db2.gz PIJKMUVDTQUJGC-AWEZNQCLSA-N 2 0 346.431 1.910 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H](C)O1 ZINC000662669988 453384900 /nfs/dbraw/zinc/38/49/00/453384900.db2.gz BNYNUMHBSRGKSS-MBNYWOFBSA-N 2 0 337.386 1.144 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662680847 453400695 /nfs/dbraw/zinc/40/06/95/453400695.db2.gz MDPVDIMLASDZDS-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP CC[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662680396 453400878 /nfs/dbraw/zinc/40/08/78/453400878.db2.gz TVFQIUDKLQXAAC-KZNAEPCWSA-N 2 0 331.460 1.303 20 0 EDADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662703240 453426602 /nfs/dbraw/zinc/42/66/02/453426602.db2.gz HLADFGKFUUCGRT-UHFFFAOYSA-N 2 0 344.459 1.246 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662710567 453434671 /nfs/dbraw/zinc/43/46/71/453434671.db2.gz HKXPSRGMGVLSHH-OWCLPIDISA-N 2 0 348.495 1.585 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[NH2+]CCO1 ZINC000662716839 453441532 /nfs/dbraw/zinc/44/15/32/453441532.db2.gz WYUQHDWPLXHUJY-ZWKOTPCHSA-N 2 0 343.471 1.393 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662733457 453459526 /nfs/dbraw/zinc/45/95/26/453459526.db2.gz KMHXTEFNOBBNCC-CABCVRRESA-N 2 0 334.468 1.197 20 0 EDADRP C[N@H+](CCNC(=O)c1cc(C(C)(C)[NH3+])no1)Cc1ccc(F)cc1 ZINC000662750176 453481654 /nfs/dbraw/zinc/48/16/54/453481654.db2.gz SSFSRSGJWBFSFE-UHFFFAOYSA-N 2 0 334.395 1.869 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)C1 ZINC000662752187 453486177 /nfs/dbraw/zinc/48/61/77/453486177.db2.gz GPHMSTCCUAHOQC-FHLIZLRMSA-N 2 0 347.459 1.710 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CC2)CC1 ZINC000655446365 453533330 /nfs/dbraw/zinc/53/33/30/453533330.db2.gz PTRQSVOEYPAEGJ-IEBWSBKVSA-N 2 0 334.508 1.051 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662822084 453551565 /nfs/dbraw/zinc/55/15/65/453551565.db2.gz IASFETSYGQUDTC-QZTJIDSGSA-N 2 0 346.475 1.510 20 0 EDADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833761 453560865 /nfs/dbraw/zinc/56/08/65/453560865.db2.gz WAQLKMBVODJGCQ-IEBWSBKVSA-N 2 0 343.471 1.587 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)C1 ZINC000667331037 453564148 /nfs/dbraw/zinc/56/41/48/453564148.db2.gz SEIIAQYHYMCPJU-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662857584 453573823 /nfs/dbraw/zinc/57/38/23/453573823.db2.gz BKKQASGKVBEFGW-WMZOPIPTSA-N 2 0 331.460 1.259 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659020070 453583599 /nfs/dbraw/zinc/58/35/99/453583599.db2.gz UFCDEVHIDJJDKP-MRXNPFEDSA-N 2 0 334.464 1.981 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659021793 453584739 /nfs/dbraw/zinc/58/47/39/453584739.db2.gz HHXLIQMNJMVKJA-QGZVFWFLSA-N 2 0 330.432 1.665 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662886115 453588796 /nfs/dbraw/zinc/58/87/96/453588796.db2.gz BBBDXASAZIMLFO-MRXNPFEDSA-N 2 0 333.480 1.198 20 0 EDADRP C[NH+]1CCC(CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659031761 453589093 /nfs/dbraw/zinc/58/90/93/453589093.db2.gz BULPEBVTGGVPGL-QGZVFWFLSA-N 2 0 332.448 1.811 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659092444 453626346 /nfs/dbraw/zinc/62/63/46/453626346.db2.gz XBUCVPWOQODFJC-CQSZACIVSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886711 453632377 /nfs/dbraw/zinc/63/23/77/453632377.db2.gz HAUWYCGVDYBWJK-RDTXWAMCSA-N 2 0 334.508 1.890 20 0 EDADRP CNC(=O)CC1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000665276058 453633045 /nfs/dbraw/zinc/63/30/45/453633045.db2.gz XQLSYUMGLHQTBP-YESZJQIVSA-N 2 0 337.508 1.820 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665355088 453663666 /nfs/dbraw/zinc/66/36/66/453663666.db2.gz JFQJLFWEZVIHOE-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000665363960 453667820 /nfs/dbraw/zinc/66/78/20/453667820.db2.gz GNZKLTJCHOSJFO-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000659284932 453701159 /nfs/dbraw/zinc/70/11/59/453701159.db2.gz MBBFPIBRCPEGJS-ROUUACIJSA-N 2 0 333.476 1.910 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659318898 453714248 /nfs/dbraw/zinc/71/42/48/453714248.db2.gz GWKUJUNXDNOGJZ-SZMVWBNQSA-N 2 0 333.476 1.766 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000661131204 453722746 /nfs/dbraw/zinc/72/27/46/453722746.db2.gz TWFIVPQMDRVZGH-OAHLLOKOSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374099 453731486 /nfs/dbraw/zinc/73/14/86/453731486.db2.gz FYYVMEGEMXXYOY-HOTGVXAUSA-N 2 0 330.476 1.441 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657310252 453764138 /nfs/dbraw/zinc/76/41/38/453764138.db2.gz KPGFSAROOZHNPO-YLJYHZDGSA-N 2 0 347.503 1.970 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401871 453782146 /nfs/dbraw/zinc/78/21/46/453782146.db2.gz YTOIPCYHDSAMLP-RTBURBONSA-N 2 0 341.459 1.735 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nc4c(s3)C[NH2+]CC4)C2)C1 ZINC000663497214 453810515 /nfs/dbraw/zinc/81/05/15/453810515.db2.gz LVJBHPYFMLCWTF-GUTXKFCHSA-N 3 0 336.505 1.507 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000683255754 486668670 /nfs/dbraw/zinc/66/86/70/486668670.db2.gz IQDMSXHFOMHZAS-RTBURBONSA-N 2 0 345.487 1.878 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC[NH2+]C ZINC000415240791 486741756 /nfs/dbraw/zinc/74/17/56/486741756.db2.gz QYGOXJRATLEICK-UHFFFAOYSA-N 2 0 349.479 1.520 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCCC[NH+](C)C)CC1 ZINC000676682455 486841587 /nfs/dbraw/zinc/84/15/87/486841587.db2.gz AWPNCDVPVRRJAH-OAHLLOKOSA-N 2 0 333.480 1.858 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2[NH+](C)CCCC2(C)C)C1 ZINC000684116510 486950408 /nfs/dbraw/zinc/95/04/08/486950408.db2.gz HNMXYABPCFEPAQ-LSDHHAIUSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000667787515 486965091 /nfs/dbraw/zinc/96/50/91/486965091.db2.gz YKUDILBTCOKBOE-UHFFFAOYSA-N 2 0 333.480 1.554 20 0 EDADRP C[C@H]1CN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000667803707 486973032 /nfs/dbraw/zinc/97/30/32/486973032.db2.gz NMUZUNANJORZDK-ZDUSSCGKSA-N 2 0 347.463 1.036 20 0 EDADRP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCOC1 ZINC000681208994 486973124 /nfs/dbraw/zinc/97/31/24/486973124.db2.gz QUUUBBVEUZBXJR-AEFFLSMTSA-N 2 0 333.476 1.764 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000684257034 487003871 /nfs/dbraw/zinc/00/38/71/487003871.db2.gz SZMRQPUDGSIRRX-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000673530344 487049005 /nfs/dbraw/zinc/04/90/05/487049005.db2.gz HQQOZWCUTQXMKM-IBGZPJMESA-N 2 0 345.487 1.472 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000673861837 487136302 /nfs/dbraw/zinc/13/63/02/487136302.db2.gz AONNUTJFJAQABA-UHFFFAOYSA-N 2 0 344.419 1.500 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](C2CCC2)CC1 ZINC000673865443 487138046 /nfs/dbraw/zinc/13/80/46/487138046.db2.gz WBXSNCYTXHBEBG-UHFFFAOYSA-N 2 0 326.404 1.969 20 0 EDADRP CS(=O)(=O)N1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000684773518 487159869 /nfs/dbraw/zinc/15/98/69/487159869.db2.gz QNASTPMVWWXXTE-KRWDZBQOSA-N 2 0 343.537 1.797 20 0 EDADRP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000674032378 487188586 /nfs/dbraw/zinc/18/85/86/487188586.db2.gz TVYQQOYXHKDGPQ-OAHLLOKOSA-N 2 0 339.528 1.042 20 0 EDADRP CN(C)c1ncc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457602 487278123 /nfs/dbraw/zinc/27/81/23/487278123.db2.gz GIYNDZQBBHSDQA-HNNXBMFYSA-N 2 0 337.537 1.809 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000675188365 487386295 /nfs/dbraw/zinc/38/62/95/487386295.db2.gz KXBFZZKHBSTGQD-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000675189424 487386845 /nfs/dbraw/zinc/38/68/45/487386845.db2.gz YVSGCLBBCSFQFU-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326354 487415365 /nfs/dbraw/zinc/41/53/65/487415365.db2.gz UZVFCTCTRSKFBZ-RDJZCZTQSA-N 2 0 339.505 1.426 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675536497 487419853 /nfs/dbraw/zinc/41/98/53/487419853.db2.gz ONPNJEPUPZHPMC-INIZCTEOSA-N 2 0 338.496 1.005 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000669513889 485478815 /nfs/dbraw/zinc/47/88/15/485478815.db2.gz MWGFCAOVYNKNFK-OAHLLOKOSA-N 2 0 326.485 1.317 20 0 EDADRP [NH3+]C1(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000669519622 485485174 /nfs/dbraw/zinc/48/51/74/485485174.db2.gz KQZHXIYHCLATGN-ROUUACIJSA-N 2 0 327.472 1.721 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000669530092 485505278 /nfs/dbraw/zinc/50/52/78/485505278.db2.gz PYGVNQNMQXZMRP-OAHLLOKOSA-N 2 0 326.485 1.176 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000079115115 485547259 /nfs/dbraw/zinc/54/72/59/485547259.db2.gz UAMKZSBTKLWKAR-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556896 485559920 /nfs/dbraw/zinc/55/99/20/485559920.db2.gz NDQOLSCWKAALNM-CEXWTWQISA-N 2 0 342.487 1.806 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000669567411 485579647 /nfs/dbraw/zinc/57/96/47/485579647.db2.gz ZYCUKJRZFMWWQF-QZTJIDSGSA-N 2 0 330.476 1.684 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669573735 485605905 /nfs/dbraw/zinc/60/59/05/485605905.db2.gz CHSIWPFSBGATFR-ROUUACIJSA-N 2 0 330.476 1.950 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CN(C)CCOC(C)(C)C)C1 ZINC000676042858 485903795 /nfs/dbraw/zinc/90/37/95/485903795.db2.gz FKUJZVXJJDESRH-INIZCTEOSA-N 2 0 343.512 1.206 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668665625 486015564 /nfs/dbraw/zinc/01/55/64/486015564.db2.gz CIIGTYWATNRZBD-RCCFBDPRSA-N 2 0 328.460 1.654 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000668666964 486017020 /nfs/dbraw/zinc/01/70/20/486017020.db2.gz PIYYSWZRYUHGQY-HNNXBMFYSA-N 2 0 335.496 1.247 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000669386736 486021772 /nfs/dbraw/zinc/02/17/72/486021772.db2.gz BJRCXSRWMIWKAL-FGTMMUONSA-N 2 0 330.476 1.936 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@@H]1[NH3+] ZINC000669389589 486025263 /nfs/dbraw/zinc/02/52/63/486025263.db2.gz ZUSWEYDASJTXPB-KGLIPLIRSA-N 2 0 326.510 1.337 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420207 486139768 /nfs/dbraw/zinc/13/97/68/486139768.db2.gz DOXXXEVPJFVVCR-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000670788376 486223095 /nfs/dbraw/zinc/22/30/95/486223095.db2.gz DAHZULAXABDWDC-KRWDZBQOSA-N 2 0 327.432 1.186 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484228 486250066 /nfs/dbraw/zinc/25/00/66/486250066.db2.gz KTEXSGLQCHJRIS-ZMSDIMECSA-N 2 0 337.512 1.066 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000088391981 491194753 /nfs/dbraw/zinc/19/47/53/491194753.db2.gz QJJAHPSXEPNMLI-UHFFFAOYSA-N 2 0 348.451 1.633 20 0 EDADRP CCC(=O)N1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000089144838 491196084 /nfs/dbraw/zinc/19/60/84/491196084.db2.gz QZNQZPUPGPXBIT-IYBDPMFKSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000166711741 533940661 /nfs/dbraw/zinc/94/06/61/533940661.db2.gz JMUCYRLDYAKKTJ-INIZCTEOSA-N 2 0 335.473 1.471 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)c1n[nH]c2c1C[NH2+]CC2 ZINC000188738623 527168097 /nfs/dbraw/zinc/16/80/97/527168097.db2.gz HGLOVKAGYQCEOX-UHFFFAOYSA-N 2 0 339.443 1.946 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCC[NH2+]C2)c1 ZINC000164758656 528136200 /nfs/dbraw/zinc/13/62/00/528136200.db2.gz VPHNUSIBGXRXLQ-MRXNPFEDSA-N 2 0 346.475 1.696 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000154327810 529145169 /nfs/dbraw/zinc/14/51/69/529145169.db2.gz PAWUJUVTMULLSH-MRXNPFEDSA-N 2 0 343.479 1.341 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)C(F)F)CC1 ZINC000344758010 534936136 /nfs/dbraw/zinc/93/61/36/534936136.db2.gz JAYNQTAHJXWDKE-MRXNPFEDSA-N 2 0 327.419 1.934 20 0 EDADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)c2O1 ZINC000261623653 534954541 /nfs/dbraw/zinc/95/45/41/534954541.db2.gz GKIYDXVDFAUZLL-MRXNPFEDSA-N 2 0 331.460 1.687 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)CC1 ZINC000346870562 535264563 /nfs/dbraw/zinc/26/45/63/535264563.db2.gz WVIHBTVPCYIULO-DLBZAZTESA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261756131 535544045 /nfs/dbraw/zinc/54/40/45/535544045.db2.gz HQLDIPOGUKTLDX-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236872899 535557177 /nfs/dbraw/zinc/55/71/77/535557177.db2.gz MNNVAJLXOKOHKH-KRWDZBQOSA-N 2 0 335.448 1.012 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)S(=O)(=O)CC[NH+](CC)CC ZINC000352724124 535560606 /nfs/dbraw/zinc/56/06/06/535560606.db2.gz FMMWPWVBLMHIHA-UHFFFAOYSA-N 2 0 333.542 1.856 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262641562 535714171 /nfs/dbraw/zinc/71/41/71/535714171.db2.gz KXSFMGUZSGKLJR-ZHALLVOQSA-N 2 0 346.519 1.712 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)ccc2oc1=O ZINC000236990780 535933328 /nfs/dbraw/zinc/93/33/28/535933328.db2.gz LNLKFCNFXILOGT-NEPJUHHUSA-N 2 0 332.404 1.222 20 0 EDADRP C[N@H+](C[C@@H](O)Cn1cccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000247335999 536420696 /nfs/dbraw/zinc/42/06/96/536420696.db2.gz FULBPHXMRJWQFQ-RTBURBONSA-N 2 0 328.460 1.698 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cn2)CC1 ZINC000262977096 536421569 /nfs/dbraw/zinc/42/15/69/536421569.db2.gz MJYGULVORHKFJB-APWZRJJASA-N 2 0 345.491 1.357 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245649768 536789507 /nfs/dbraw/zinc/78/95/07/536789507.db2.gz MOTKIUVUORIFRJ-QZTJIDSGSA-N 2 0 348.491 1.699 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC[NH2+]C1 ZINC000261601945 536815037 /nfs/dbraw/zinc/81/50/37/536815037.db2.gz BOQLZHXCZCJUSD-FUHWJXTLSA-N 2 0 335.448 1.040 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000345472424 537115231 /nfs/dbraw/zinc/11/52/31/537115231.db2.gz VKYBCBIMIVQPSP-GASCZTMLSA-N 2 0 332.448 1.612 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000727072929 578514315 /nfs/dbraw/zinc/51/43/15/578514315.db2.gz RPBVTOBTXZKHDZ-GASCZTMLSA-N 2 0 344.569 1.538 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(CC[NH+]2CCCC2)CC1 ZINC000760863253 580040053 /nfs/dbraw/zinc/04/00/53/580040053.db2.gz QOYYNLVXUZOHAQ-UHFFFAOYSA-N 2 0 346.519 1.845 20 0 EDADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](CC)CC ZINC000746260369 579582808 /nfs/dbraw/zinc/58/28/08/579582808.db2.gz XCXPKGBXPBFPHA-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512465 579729173 /nfs/dbraw/zinc/72/91/73/579729173.db2.gz AIPARBZFDARIKL-APWZRJJASA-N 2 0 343.471 1.999 20 0 EDADRP Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000764479206 580121372 /nfs/dbraw/zinc/12/13/72/580121372.db2.gz MHWJYQLMVMGXRU-YSIASYRMSA-N 2 0 331.504 1.986 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@@](O)(c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000765279121 580139136 /nfs/dbraw/zinc/13/91/36/580139136.db2.gz FOSYRMVJEJJYQB-MBNYWOFBSA-N 2 0 334.386 1.632 20 0 EDADRP Nc1nc(-n2cccn2)cc(NC2CC[NH+](C[C@H]3CCCO3)CC2)[nH+]1 ZINC000771651647 580291426 /nfs/dbraw/zinc/29/14/26/580291426.db2.gz ABEORIJUOQMBOI-CQSZACIVSA-N 2 0 343.435 1.300 20 0 EDADRP CCNS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780879168 580536336 /nfs/dbraw/zinc/53/63/36/580536336.db2.gz RXPXKRBIFBWCJH-DOTOQJQBSA-N 2 0 339.505 1.426 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC000783641522 580603217 /nfs/dbraw/zinc/60/32/17/580603217.db2.gz KAJLOQZUGMAFAU-HDICACEKSA-N 2 0 342.487 1.854 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=S)NCCC[NH+](C)C)cc1 ZINC000789395295 580744408 /nfs/dbraw/zinc/74/44/08/580744408.db2.gz PHHOFGUYKDXZEA-INIZCTEOSA-N 2 0 338.521 1.714 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795900788 580940647 /nfs/dbraw/zinc/94/06/47/580940647.db2.gz XNUPTPHLMRRDHJ-UHFFFAOYSA-N 2 0 339.524 1.927 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(Cc2c3c(nn2C)CCC3)CC1 ZINC000891844446 590652689 /nfs/dbraw/zinc/65/26/89/590652689.db2.gz DXUYYTKYCXYMPI-IAGOWNOFSA-N 2 0 345.535 1.899 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000891864098 590661160 /nfs/dbraw/zinc/66/11/60/590661160.db2.gz GIUBXFLSLOIBLZ-IKMSWONJSA-N 2 0 348.413 1.923 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000891893510 590675453 /nfs/dbraw/zinc/67/54/53/590675453.db2.gz WKNOMJQNFSPTHG-OALUTQOASA-N 2 0 342.487 1.780 20 0 EDADRP CSC1(CNC(=O)N2CCCCC[C@@H]([NH3+])C2)CC[NH+](C)CC1 ZINC000891904371 590680251 /nfs/dbraw/zinc/68/02/51/590680251.db2.gz AMKODILQDIFUOZ-CQSZACIVSA-N 2 0 328.526 1.727 20 0 EDADRP CSc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+](C)C)cc1 ZINC000891922155 590689411 /nfs/dbraw/zinc/68/94/11/590689411.db2.gz GOPADTFYMMSIEX-OFQRWUPVSA-N 2 0 334.489 1.767 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000893223690 590719627 /nfs/dbraw/zinc/71/96/27/590719627.db2.gz LKBNQMQEVQVHGP-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892040960 590767189 /nfs/dbraw/zinc/76/71/89/590767189.db2.gz PXIVVDCDUVWXET-MRXNPFEDSA-N 2 0 326.485 1.447 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000892188476 590855487 /nfs/dbraw/zinc/85/54/87/590855487.db2.gz RGNBVCPJVHYSEP-YYIAUSFCSA-N 2 0 343.475 1.690 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892383401 591003745 /nfs/dbraw/zinc/00/37/45/591003745.db2.gz DKYQNTPTUMNKLN-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000892433971 591026676 /nfs/dbraw/zinc/02/66/76/591026676.db2.gz JDJZPJTZAGLVMY-WOYTXXSLSA-N 2 0 338.496 1.432 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C ZINC000893660858 591037564 /nfs/dbraw/zinc/03/75/64/591037564.db2.gz GAJYOGYVWZQUDR-INIZCTEOSA-N 2 0 333.476 1.897 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000892479821 591042000 /nfs/dbraw/zinc/04/20/00/591042000.db2.gz PNJQUEOBTHVRLO-SJORKVTESA-N 2 0 346.475 1.473 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2C[NH2+]C)CC1 ZINC000891356855 591057589 /nfs/dbraw/zinc/05/75/89/591057589.db2.gz UDOCPTUCJNWCGF-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892530766 591061101 /nfs/dbraw/zinc/06/11/01/591061101.db2.gz XDCBFOPOYLWXCL-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP [NH3+][C@@H](CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000891364936 591062105 /nfs/dbraw/zinc/06/21/05/591062105.db2.gz FRCGXYMMYNAJOK-IRXDYDNUSA-N 2 0 330.476 1.730 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000891455554 591077829 /nfs/dbraw/zinc/07/78/29/591077829.db2.gz DCOWRCFDOFUSIF-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CN1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC[N@H+](C)CC1 ZINC000891527700 591108523 /nfs/dbraw/zinc/10/85/23/591108523.db2.gz BUSVXPMFNIFAFA-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000893913039 591135568 /nfs/dbraw/zinc/13/55/68/591135568.db2.gz AQEFVJBWBVUTKR-MRXNPFEDSA-N 2 0 349.479 1.258 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000891598416 591143244 /nfs/dbraw/zinc/14/32/44/591143244.db2.gz SWGFFQFKPZNRLU-ZACQAIPSSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000891662521 591174044 /nfs/dbraw/zinc/17/40/44/591174044.db2.gz YRAFQRWTDGSBNO-WDEREUQCSA-N 2 0 335.477 1.295 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000892786914 591176811 /nfs/dbraw/zinc/17/68/11/591176811.db2.gz WTSROLQGXOXAKJ-LSDHHAIUSA-N 2 0 338.402 1.245 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000892811446 591189408 /nfs/dbraw/zinc/18/94/08/591189408.db2.gz OPVONDROVWDLEM-OALUTQOASA-N 2 0 342.487 1.971 20 0 EDADRP COC(=O)c1cnc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000894170045 591215785 /nfs/dbraw/zinc/21/57/85/591215785.db2.gz NDAKYSCTSVYLQB-UHFFFAOYSA-N 2 0 326.466 1.045 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891800928 591228259 /nfs/dbraw/zinc/22/82/59/591228259.db2.gz XLKUPWRCPOMNEU-MJKGWSOKSA-N 2 0 342.487 1.758 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccccc2OCC[NH+](C)C)C1(F)F ZINC000894208812 591230372 /nfs/dbraw/zinc/23/03/72/591230372.db2.gz LPSAZTZNIWYRMA-ZFWWWQNUSA-N 2 0 342.386 1.771 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH+](C)C[C@@H]21 ZINC000894234518 591239861 /nfs/dbraw/zinc/23/98/61/591239861.db2.gz UAMGQDCOJZUEGE-YSHGAJCASA-N 2 0 342.487 1.852 20 0 EDADRP C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+]CC1CC[NH+](C)CC1 ZINC000892991904 591249173 /nfs/dbraw/zinc/24/91/73/591249173.db2.gz QZTISMUSZQGIEU-KRWDZBQOSA-N 2 0 331.508 1.524 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccc(F)cc1 ZINC000895797523 591275613 /nfs/dbraw/zinc/27/56/13/591275613.db2.gz IGPIVGXILFHNKB-DLBZAZTESA-N 2 0 335.423 1.265 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000895898862 591298978 /nfs/dbraw/zinc/29/89/78/591298978.db2.gz AYWHTAQFKGGDEB-KRWDZBQOSA-N 2 0 346.475 1.017 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989360 591319594 /nfs/dbraw/zinc/31/95/94/591319594.db2.gz AGZVMWAFRGSCDC-YRXWBPOGSA-N 2 0 343.471 1.659 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896004864 591321530 /nfs/dbraw/zinc/32/15/30/591321530.db2.gz QZYLVHDQCLLKIT-QGZVFWFLSA-N 2 0 336.524 1.534 20 0 EDADRP NS(=O)(=O)c1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000148484025 591378870 /nfs/dbraw/zinc/37/88/70/591378870.db2.gz ZZDTXTOLUFKTOC-UHFFFAOYSA-N 2 0 346.456 1.094 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCC[C@H]2C)C1 ZINC000897482568 591488959 /nfs/dbraw/zinc/48/89/59/591488959.db2.gz BNKPNOQZVIKPEJ-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC[NH+](C)CC1 ZINC000894953270 591498700 /nfs/dbraw/zinc/49/87/00/591498700.db2.gz GOZCRESIRXHVSU-KGLIPLIRSA-N 2 0 326.510 1.159 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C1(F)F ZINC000895083913 591575346 /nfs/dbraw/zinc/57/53/46/591575346.db2.gz CJVYBYBWNPQBCK-QXSJWSMHSA-N 2 0 338.398 1.976 20 0 EDADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896823294 591620474 /nfs/dbraw/zinc/62/04/74/591620474.db2.gz MNFNKPIUBNYCPW-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)CC(C)C ZINC000896895297 591659740 /nfs/dbraw/zinc/65/97/40/591659740.db2.gz WSPWRARAUKOCTG-IRXDYDNUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC000896959975 591691570 /nfs/dbraw/zinc/69/15/70/591691570.db2.gz RMMDBKSJVZVJNT-PBHICJAKSA-N 2 0 333.480 1.884 20 0 EDADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000899155484 591710013 /nfs/dbraw/zinc/71/00/13/591710013.db2.gz DMZFRJCWISRIQW-GOSISDBHSA-N 2 0 341.455 1.052 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCC(C)(C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602881 591814798 /nfs/dbraw/zinc/81/47/98/591814798.db2.gz FJIHXFZOOATHFH-OAGGEKHMSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H](Cc1cccnc1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000898313392 591867863 /nfs/dbraw/zinc/86/78/63/591867863.db2.gz UQGGLYGMFMDWQM-CGTJXYLNSA-N 2 0 347.507 1.393 20 0 EDADRP O=c1ccn(CCC[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(=O)[nH]1 ZINC000898332302 591874920 /nfs/dbraw/zinc/87/49/20/591874920.db2.gz KESKKQJTECMOTP-UHFFFAOYSA-N 2 0 334.464 1.726 20 0 EDADRP C[N@H+](CCCNC(=O)C[C@]1(O)CCC[NH+](C)C1)C1CCCCC1 ZINC000900106124 591909078 /nfs/dbraw/zinc/90/90/78/591909078.db2.gz CSYBWHPDSNLDQU-GOSISDBHSA-N 2 0 325.497 1.604 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccsc1 ZINC000900136545 591914154 /nfs/dbraw/zinc/91/41/54/591914154.db2.gz NSVIUXJORQXALB-GDBMZVCRSA-N 2 0 325.478 1.314 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000900216489 591946462 /nfs/dbraw/zinc/94/64/62/591946462.db2.gz NDFCTZIIXBKMEF-MSOLQXFVSA-N 2 0 336.524 1.536 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900252235 591960872 /nfs/dbraw/zinc/96/08/72/591960872.db2.gz QLJGZCHJZUWAKD-FQEVSTJZSA-N 2 0 347.503 1.991 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)(N2CCOCC2)C1 ZINC000902378290 591984273 /nfs/dbraw/zinc/98/42/73/591984273.db2.gz YIDLIBNAFTXKEJ-LRYGQEGESA-N 2 0 339.524 1.624 20 0 EDADRP [NH3+]CCCC[C@H]([NH2+]CCN1CCNC1=O)c1ccc(F)cc1F ZINC000902402921 591990915 /nfs/dbraw/zinc/99/09/15/591990915.db2.gz PKVVXTGHWGASHR-HNNXBMFYSA-N 2 0 326.391 1.750 20 0 EDADRP CC[NH+]1CCC(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900354490 591993101 /nfs/dbraw/zinc/99/31/01/591993101.db2.gz CRAAPKYOJMXMMU-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000900364015 591997081 /nfs/dbraw/zinc/99/70/81/591997081.db2.gz KPVVXAYFVCYFGA-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CCS(=O)(=O)C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902500299 592003065 /nfs/dbraw/zinc/00/30/65/592003065.db2.gz FLKJTPNZCZDJBQ-JLJPHGGASA-N 2 0 338.473 1.655 20 0 EDADRP C[C@@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000902485195 592005479 /nfs/dbraw/zinc/00/54/79/592005479.db2.gz IXEJCUFNVLNHDO-VDHUWJSZSA-N 2 0 347.459 1.739 20 0 EDADRP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)c1Cl ZINC000902520853 592010391 /nfs/dbraw/zinc/01/03/91/592010391.db2.gz PRTSZMKBAKBYGN-LOWDOPEQSA-N 2 0 337.855 1.392 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)[nH]nc1Cl ZINC000900481141 592030713 /nfs/dbraw/zinc/03/07/13/592030713.db2.gz NXIHOUHIJGLFJA-CYBMUJFWSA-N 2 0 341.887 1.860 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900536696 592050394 /nfs/dbraw/zinc/05/03/94/592050394.db2.gz ADIOQKUFCJLVIL-IBGZPJMESA-N 2 0 349.475 1.090 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900587825 592060478 /nfs/dbraw/zinc/06/04/78/592060478.db2.gz LIXNYBNTQHYGAU-DLBZAZTESA-N 2 0 335.492 1.765 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000900708286 592100901 /nfs/dbraw/zinc/10/09/01/592100901.db2.gz IDQDGNZOEMABPK-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)cn2)CC1 ZINC000903073662 592119688 /nfs/dbraw/zinc/11/96/88/592119688.db2.gz PLULVHQVPYFSCK-IEBWSBKVSA-N 2 0 346.475 1.261 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000900824407 592138584 /nfs/dbraw/zinc/13/85/84/592138584.db2.gz LHDHHNUPWWVXMY-MSOLQXFVSA-N 2 0 338.540 1.734 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)[C@H]2CCC[C@@H]21 ZINC000903242511 592143050 /nfs/dbraw/zinc/14/30/50/592143050.db2.gz SATJFJLACXXTCE-ILXRZTDVSA-N 2 0 334.464 1.666 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900871019 592152084 /nfs/dbraw/zinc/15/20/84/592152084.db2.gz WOLOQZSZZAGKAJ-AZUAARDMSA-N 2 0 345.487 1.566 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903433301 592168704 /nfs/dbraw/zinc/16/87/04/592168704.db2.gz ZGVGCUCUDGMPGA-SJORKVTESA-N 2 0 331.460 1.509 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)C1CC[NH+](C)CC1 ZINC000903433367 592168870 /nfs/dbraw/zinc/16/88/70/592168870.db2.gz ANLNFYQGSOWWQT-YPMHNXCESA-N 2 0 339.871 1.734 20 0 EDADRP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@H]2C[NH2+]C[C@H]2C)C1 ZINC000903439583 592169809 /nfs/dbraw/zinc/16/98/09/592169809.db2.gz LFRBINHZKWSITM-RDBSUJKOSA-N 2 0 335.414 1.965 20 0 EDADRP FC(F)(F)[C@@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)O1 ZINC000903505605 592181728 /nfs/dbraw/zinc/18/17/28/592181728.db2.gz DVECCZGGZDETSJ-QXSJWSMHSA-N 2 0 347.425 1.997 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1c(C)cccc1C)C2 ZINC000903490962 592184327 /nfs/dbraw/zinc/18/43/27/592184327.db2.gz OTZWFLLNGOIPPZ-KHYOSLBOSA-N 2 0 345.443 1.454 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCOc1ccc(OC)cc1)C2 ZINC000903491827 592184865 /nfs/dbraw/zinc/18/48/65/592184865.db2.gz CCWVMTKPNXIIHN-KHYOSLBOSA-N 2 0 348.443 1.676 20 0 EDADRP C[C@@H]1C[N@H+](CCOc2cccc(S(C)(=O)=O)c2)C[C@H]1CC[NH3+] ZINC000903496756 592187541 /nfs/dbraw/zinc/18/75/41/592187541.db2.gz BVLSGPYJBBUGOQ-ZIAGYGMSSA-N 2 0 326.462 1.386 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCN2CCc3ccccc32)C[C@H]1CC[NH3+] ZINC000903497048 592188251 /nfs/dbraw/zinc/18/82/51/592188251.db2.gz OLMFGZZMOQRSPW-NVXWUHKLSA-N 2 0 330.476 1.082 20 0 EDADRP CN(C)c1ccccc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903525195 592197899 /nfs/dbraw/zinc/19/78/99/592197899.db2.gz CRCYEPMBXFSLTF-APWZRJJASA-N 2 0 330.476 1.489 20 0 EDADRP O=C1NCC2(CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)Oc2ccccc21 ZINC000903564190 592211617 /nfs/dbraw/zinc/21/16/17/592211617.db2.gz PXBNVTWAOUGJCU-HNNXBMFYSA-N 2 0 329.444 1.643 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CN1CC[NH2+]C[C@@H]1c1cccnc1 ZINC000904334576 592233489 /nfs/dbraw/zinc/23/34/89/592233489.db2.gz ZRQDTIJHBVULPJ-QGZVFWFLSA-N 2 0 327.432 1.231 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906657423 592238831 /nfs/dbraw/zinc/23/88/31/592238831.db2.gz YQRMVIFEPGCRNZ-OAHLLOKOSA-N 2 0 344.459 1.274 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417004 592252848 /nfs/dbraw/zinc/25/28/48/592252848.db2.gz WMFNUNPJUSZCGH-SJORKVTESA-N 3 0 336.524 1.285 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H](C2CCOCC2)C1 ZINC000904432848 592254804 /nfs/dbraw/zinc/25/48/04/592254804.db2.gz HTWVTWARZGYIKT-IRXDYDNUSA-N 2 0 333.480 1.841 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906678103 592259314 /nfs/dbraw/zinc/25/93/14/592259314.db2.gz KUMPBGURDMCFNO-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020087 592268157 /nfs/dbraw/zinc/26/81/57/592268157.db2.gz GRRMZVKLJHJVNI-OKZBNKHCSA-N 2 0 335.492 1.574 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000906718359 592288256 /nfs/dbraw/zinc/28/82/56/592288256.db2.gz VSNLUETYUMOTPL-SQWLQELKSA-N 2 0 330.432 1.004 20 0 EDADRP c1cc2c(cc1-c1nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638656 592300771 /nfs/dbraw/zinc/30/07/71/592300771.db2.gz QOAZWQAVZNBVKW-GDBMZVCRSA-N 2 0 342.399 1.754 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741222 592303540 /nfs/dbraw/zinc/30/35/40/592303540.db2.gz ONSRJWFBPJGSGO-RTBURBONSA-N 2 0 338.540 1.103 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000904662225 592308507 /nfs/dbraw/zinc/30/85/07/592308507.db2.gz YJKOXEGZZCEXLW-CQSZACIVSA-N 2 0 332.448 1.768 20 0 EDADRP CCC1(N2CCOCC2)CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903775028 592317952 /nfs/dbraw/zinc/31/79/52/592317952.db2.gz FQFFAGLAESHJCG-MSOLQXFVSA-N 2 0 337.508 1.332 20 0 EDADRP CC(=O)Nc1cccc2c1C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903777384 592319371 /nfs/dbraw/zinc/31/93/71/592319371.db2.gz AVUNPHIAXQURAM-APWZRJJASA-N 2 0 329.444 1.772 20 0 EDADRP COc1ccccc1N1CCC[N@H+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903830091 592336465 /nfs/dbraw/zinc/33/64/65/592336465.db2.gz SGCLEKNQUCUJKB-MRXNPFEDSA-N 2 0 331.460 1.586 20 0 EDADRP C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCN(CCn2cccn2)CC1 ZINC000903891655 592352579 /nfs/dbraw/zinc/35/25/79/592352579.db2.gz NCJDRBDLFNKRJD-AYHJJNSGSA-N 2 0 331.508 1.810 20 0 EDADRP Cc1nc(CN2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)CC2)no1 ZINC000903873806 592355791 /nfs/dbraw/zinc/35/57/91/592355791.db2.gz XZLKACCEBKLNCV-UHFFFAOYSA-N 2 0 341.459 1.732 20 0 EDADRP Cc1nn(C)c(C)c1CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903892411 592365800 /nfs/dbraw/zinc/36/58/00/592365800.db2.gz RTFPEXKZXSORTA-AYHJJNSGSA-N 2 0 331.508 1.685 20 0 EDADRP Cn1ccnc1[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000903913595 592375595 /nfs/dbraw/zinc/37/55/95/592375595.db2.gz PURPZEKOJOTEFD-GOSISDBHSA-N 2 0 325.460 1.555 20 0 EDADRP COc1ccc(OCC[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903920712 592376897 /nfs/dbraw/zinc/37/68/97/592376897.db2.gz LBTFHOKEJHMVNX-OAHLLOKOSA-N 2 0 332.448 1.523 20 0 EDADRP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920030 592377523 /nfs/dbraw/zinc/37/75/23/592377523.db2.gz RJNKSAKQDPORSV-YJBOKZPZSA-N 2 0 326.448 1.952 20 0 EDADRP O=c1[nH]c2ccccc2n1CC[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927348 592381220 /nfs/dbraw/zinc/38/12/20/592381220.db2.gz XQXOHYORZTWWBJ-CYBMUJFWSA-N 2 0 341.419 1.048 20 0 EDADRP [NH3+][C@H](CNCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)CC(F)F ZINC000903929900 592382353 /nfs/dbraw/zinc/38/23/53/592382353.db2.gz NXMXWPHPCZCNFK-HNNXBMFYSA-N 3 0 326.435 1.552 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCc3c2ccc(=O)n3C)cnn1C ZINC000903931974 592383793 /nfs/dbraw/zinc/38/37/93/592383793.db2.gz KOWBITOIQFDWQB-RHSMWYFYSA-N 2 0 343.475 1.212 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908208360 592385247 /nfs/dbraw/zinc/38/52/47/592385247.db2.gz PRIDRJVBRNRJCM-MRXNPFEDSA-N 2 0 330.432 1.477 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917499 592390169 /nfs/dbraw/zinc/39/01/69/592390169.db2.gz MNOXBSBZMQEGCB-KZNAEPCWSA-N 3 0 333.524 1.558 20 0 EDADRP CCOC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)o1 ZINC000903977155 592399377 /nfs/dbraw/zinc/39/93/77/592399377.db2.gz KQYRZATZHDRMAV-JKDFXYPNSA-N 2 0 336.388 1.169 20 0 EDADRP C[C@@H](NC(C)(C)C[NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1 ZINC000905095235 592419885 /nfs/dbraw/zinc/41/98/85/592419885.db2.gz CIWMZDIQMOUHBE-WBVHZDCISA-N 2 0 336.476 1.608 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)c1 ZINC000904092058 592429859 /nfs/dbraw/zinc/42/98/59/592429859.db2.gz CHQHULWMESXDHX-PMPSAXMXSA-N 2 0 328.416 2.000 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)cc2)CC1 ZINC000904282039 592467960 /nfs/dbraw/zinc/46/79/60/592467960.db2.gz PAWGKISBGZRLCV-KOMQPUFPSA-N 2 0 331.464 1.687 20 0 EDADRP c1cc(-c2nc(CC3CC[NH2+]CC3)no2)cc(N2CC[NH2+]CC2)n1 ZINC000905309534 592500061 /nfs/dbraw/zinc/50/00/61/592500061.db2.gz XRVDUHPSRKOYGQ-UHFFFAOYSA-N 2 0 328.420 1.083 20 0 EDADRP c1c(-c2nc(CC3CC[NH2+]CC3)no2)nnn1[C@H]1CCC[NH2+]CC1 ZINC000905308582 592500276 /nfs/dbraw/zinc/50/02/76/592500276.db2.gz MVQMCMMLGODJIN-ZDUSSCGKSA-N 2 0 331.424 1.185 20 0 EDADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)CC2 ZINC000908505743 592523997 /nfs/dbraw/zinc/52/39/97/592523997.db2.gz LWYRDQRTUAWZKG-SJLPKXTDSA-N 2 0 337.508 1.555 20 0 EDADRP CC(C)(C)OC(=O)NC(C)(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905420694 592525898 /nfs/dbraw/zinc/52/58/98/592525898.db2.gz RYZGUIHNVHXSAA-CQSZACIVSA-N 2 0 329.485 1.726 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC[C@H]1CC[NH+]1C1CCOCC1 ZINC000905618190 592595532 /nfs/dbraw/zinc/59/55/32/592595532.db2.gz GTQOZHYJVSTLCK-UXHICEINSA-N 2 0 347.503 1.322 20 0 EDADRP CON1CC[C@H]([NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1=O ZINC000905761027 592638809 /nfs/dbraw/zinc/63/88/09/592638809.db2.gz WTNYNXXQBDBFQZ-ROUUACIJSA-N 2 0 347.459 1.184 20 0 EDADRP CN1C[C@H](O)C[C@@]1(C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000909930204 592722729 /nfs/dbraw/zinc/72/27/29/592722729.db2.gz QMGZOMSLFMEUGW-DYVFJYSZSA-N 2 0 339.411 1.160 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000907922460 592846571 /nfs/dbraw/zinc/84/65/71/592846571.db2.gz XNASINMDSDPZKT-RDJZCZTQSA-N 2 0 344.459 1.756 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)C[C@@H]21 ZINC000910399138 592853219 /nfs/dbraw/zinc/85/32/19/592853219.db2.gz MVINEVVMKLHFQF-JKSUJKDBSA-N 2 0 328.416 1.446 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000910425797 592861636 /nfs/dbraw/zinc/86/16/36/592861636.db2.gz ZZDPVYLEEIDENZ-UHFFFAOYSA-N 2 0 333.411 1.898 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](CCO)C(C)C)CC2)CC[N@@H+]1C ZINC000910876867 592899529 /nfs/dbraw/zinc/89/95/29/592899529.db2.gz ZWGKUVFVJJLGSI-ZWKOTPCHSA-N 2 0 339.524 1.658 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[NH+]1CCCCC1 ZINC000911244637 592966978 /nfs/dbraw/zinc/96/69/78/592966978.db2.gz ZNPQGUXFDCCCGB-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@H]([NH3+])C(=O)N3)c1 ZINC000911692712 592983192 /nfs/dbraw/zinc/98/31/92/592983192.db2.gz UUHWTSCKHFTYKA-INIZCTEOSA-N 2 0 338.411 1.870 20 0 EDADRP [NH3+][C@H](CC(=O)N[C@H]1CC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000911698180 592984535 /nfs/dbraw/zinc/98/45/35/592984535.db2.gz GQYWEKSQJQESHI-STQMWFEESA-N 2 0 326.238 1.187 20 0 EDADRP C[NH+]1CCC(N(CCO)C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000911935295 593038955 /nfs/dbraw/zinc/03/89/55/593038955.db2.gz OJHPQXMGKHRNOJ-UHFFFAOYSA-N 2 0 345.487 1.811 20 0 EDADRP C[C@@]1(NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[NH+]2CCC1CC2 ZINC000912373661 593091227 /nfs/dbraw/zinc/09/12/27/593091227.db2.gz GAVHPJOSNQMZLR-FUHWJXTLSA-N 2 0 337.533 1.804 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)C1 ZINC000912594925 593107058 /nfs/dbraw/zinc/10/70/58/593107058.db2.gz JLFCHLQANDBVSP-KRWDZBQOSA-N 2 0 339.524 1.708 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@H](O)C3)C2)cc1 ZINC000808156144 593229667 /nfs/dbraw/zinc/22/96/67/593229667.db2.gz BCEZKOOFBNCTAS-MOPGFXCFSA-N 2 0 345.487 1.810 20 0 EDADRP C[C@H]1C[NH+](CN2C(=O)[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2=O)C[C@@H]1C ZINC000840017485 593371072 /nfs/dbraw/zinc/37/10/72/593371072.db2.gz ZEDWDFFQPAHLGG-UOVPBQLFSA-N 2 0 341.455 1.649 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810434205 593401487 /nfs/dbraw/zinc/40/14/87/593401487.db2.gz WHBHXEHAZYSOOW-QAPCUYQASA-N 2 0 343.487 1.768 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)CCCO1 ZINC000761548919 593417646 /nfs/dbraw/zinc/41/76/46/593417646.db2.gz KTQNPKVLPFLYRT-HNNXBMFYSA-N 2 0 344.569 1.539 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000816509343 593528731 /nfs/dbraw/zinc/52/87/31/593528731.db2.gz NCQNGPIYWGHAOG-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP [NH3+][C@@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1CCC1 ZINC000817859005 593641831 /nfs/dbraw/zinc/64/18/31/593641831.db2.gz LAEDRQGAQMIGMU-MRXNPFEDSA-N 2 0 331.416 1.661 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817897822 593647172 /nfs/dbraw/zinc/64/71/72/593647172.db2.gz BOEVPGWXHZQDSY-ZYHUDNBSSA-N 2 0 343.415 1.278 20 0 EDADRP C[NH+](C)CCNC(=S)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000819024373 593734495 /nfs/dbraw/zinc/73/44/95/593734495.db2.gz OTHGSRMYUSZLSA-DLBZAZTESA-N 2 0 332.517 1.629 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819058355 593736311 /nfs/dbraw/zinc/73/63/11/593736311.db2.gz IXCJLXHDDFMTKL-KDOFPFPSSA-N 2 0 341.446 1.861 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819061707 593736683 /nfs/dbraw/zinc/73/66/83/593736683.db2.gz MPNIVUFSXWTBNZ-OAHLLOKOSA-N 2 0 327.419 1.614 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CC2(O)CCCCC2)CC1 ZINC000819139094 593740878 /nfs/dbraw/zinc/74/08/78/593740878.db2.gz AUDDXHBRGXZOAP-UHFFFAOYSA-N 2 0 339.524 1.898 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087931 593962511 /nfs/dbraw/zinc/96/25/11/593962511.db2.gz HXSIOBKPHWOYEQ-OAHLLOKOSA-N 2 0 344.463 1.909 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824414323 594006349 /nfs/dbraw/zinc/00/63/49/594006349.db2.gz ZJOQGMWBNDIQDJ-KBPBESRZSA-N 2 0 329.452 1.153 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824584784 594042835 /nfs/dbraw/zinc/04/28/35/594042835.db2.gz HFWHWWAUFPMDCD-PBHICJAKSA-N 2 0 344.463 1.754 20 0 EDADRP c1ccc(C[NH+]2CCC(c3nc(N4CC[NH2+]CC4)no3)CC2)cc1 ZINC000823314817 594184162 /nfs/dbraw/zinc/18/41/62/594184162.db2.gz GEVWROKDPOJIMZ-UHFFFAOYSA-N 2 0 327.432 1.859 20 0 EDADRP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)COC1CC[NH+](C)CC1 ZINC000825585406 594203542 /nfs/dbraw/zinc/20/35/42/594203542.db2.gz BABSNTCJAZMEPZ-HZPDHXFCSA-N 2 0 325.497 1.819 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000827626275 594247262 /nfs/dbraw/zinc/24/72/62/594247262.db2.gz UYXVRUNVNLUNRP-KRWDZBQOSA-N 2 0 333.476 1.770 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000827863896 594293203 /nfs/dbraw/zinc/29/32/03/594293203.db2.gz RQLMWAZNEAGVAG-LJQANCHMSA-N 2 0 337.508 1.773 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH+](C)C ZINC000827892819 594299110 /nfs/dbraw/zinc/29/91/10/594299110.db2.gz USJYPGURYRCCGA-TVFCKZIOSA-N 2 0 337.508 1.532 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000831138340 594566410 /nfs/dbraw/zinc/56/64/10/594566410.db2.gz RLERXYOMLGWXKI-SJORKVTESA-N 2 0 340.512 1.573 20 0 EDADRP C[C@H](C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[NH+]1CCCCCC1 ZINC000829267104 594590224 /nfs/dbraw/zinc/59/02/24/594590224.db2.gz QMOZXDKIPZSGOD-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000831298455 594602819 /nfs/dbraw/zinc/60/28/19/594602819.db2.gz IUBOKXLFRZZJKF-HZPDHXFCSA-N 2 0 326.485 1.433 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000827080448 594636155 /nfs/dbraw/zinc/63/61/55/594636155.db2.gz CAUQLLJBUSTJSM-SFHVURJKSA-N 2 0 330.476 1.178 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827091430 594638554 /nfs/dbraw/zinc/63/85/54/594638554.db2.gz WMHAUZSMZIAFMS-YESZJQIVSA-N 2 0 342.528 1.857 20 0 EDADRP CCOc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1OC(=O)CC ZINC000841045549 594843711 /nfs/dbraw/zinc/84/37/11/594843711.db2.gz XYGHCFWTGVZMHO-UHFFFAOYSA-N 2 0 335.448 1.396 20 0 EDADRP CS[C@@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)C[C@@H]1[NH+](C)C ZINC000841281434 594880780 /nfs/dbraw/zinc/88/07/80/594880780.db2.gz GCBXTKHCAITXQU-LSDHHAIUSA-N 2 0 338.477 1.533 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841310633 594883751 /nfs/dbraw/zinc/88/37/51/594883751.db2.gz GPZKCZQDFXGKML-CVEARBPZSA-N 2 0 332.448 1.781 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000845710424 595047366 /nfs/dbraw/zinc/04/73/66/595047366.db2.gz ZHPKJRKUBAOPGD-ZDUSSCGKSA-N 2 0 342.484 1.042 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2cc(Cl)nc(Cl)c2)C1 ZINC000843346905 595081920 /nfs/dbraw/zinc/08/19/20/595081920.db2.gz KXUOUOHXHLWHRC-LLVKDONJSA-N 2 0 331.247 1.675 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CCC(=O)NC(=O)NCC(F)(F)F ZINC000843361040 595087482 /nfs/dbraw/zinc/08/74/82/595087482.db2.gz RVUSTDWOTWHLLG-FGWVZKOKSA-N 2 0 336.358 1.109 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000843459877 595118214 /nfs/dbraw/zinc/11/82/14/595118214.db2.gz RUQGTANMCPIHRZ-KRWDZBQOSA-N 2 0 325.416 1.633 20 0 EDADRP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CCCCCC[NH3+])CC2)C1 ZINC000846222189 595177443 /nfs/dbraw/zinc/17/74/43/595177443.db2.gz SQFGDXUSDSKHLV-ROUUACIJSA-N 2 0 338.540 1.628 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1)[C@H]1CCC[NH2+]1 ZINC000843057061 595276220 /nfs/dbraw/zinc/27/62/20/595276220.db2.gz FWUVIICZEJKYSK-VQIMIIECSA-N 2 0 343.471 1.797 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000844178205 595293672 /nfs/dbraw/zinc/29/36/72/595293672.db2.gz WJJLBYPRVBLAAT-RBUKOAKNSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186054 595296076 /nfs/dbraw/zinc/29/60/76/595296076.db2.gz FGEPNDTZKQYXGR-BHIYHBOVSA-N 2 0 345.487 1.782 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000844189953 595297506 /nfs/dbraw/zinc/29/75/06/595297506.db2.gz YCTMFIAOAANEAY-HOTGVXAUSA-N 2 0 339.867 1.828 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)c3c[nH+]ccc3N)cc2)CC1 ZINC000844192007 595298672 /nfs/dbraw/zinc/29/86/72/595298672.db2.gz YPYSZJGPRMTRLZ-UHFFFAOYSA-N 2 0 325.416 1.888 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844223370 595308062 /nfs/dbraw/zinc/30/80/62/595308062.db2.gz VLIMUWVWMATYIK-OAGGEKHMSA-N 2 0 328.460 1.765 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc(CC(F)(F)C[NH3+])n2)c1 ZINC000844908892 595411676 /nfs/dbraw/zinc/41/16/76/595411676.db2.gz JRIIZOYBZCJPLQ-UHFFFAOYSA-N 2 0 326.347 1.814 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)o1 ZINC000848908695 595465607 /nfs/dbraw/zinc/46/56/07/595465607.db2.gz BENRLSYJFRZWSW-FPLPWBNLSA-N 2 0 335.448 1.581 20 0 EDADRP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000849072803 595477940 /nfs/dbraw/zinc/47/79/40/595477940.db2.gz IBXRPRZAVOPLBI-HNNXBMFYSA-N 2 0 331.464 1.827 20 0 EDADRP [NH2+]=C(NCCCn1ccnn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849079145 595479221 /nfs/dbraw/zinc/47/92/21/595479221.db2.gz ZFAUZVVORLAPGH-UHFFFAOYSA-N 2 0 341.463 1.447 20 0 EDADRP Cn1cncc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849084614 595479544 /nfs/dbraw/zinc/47/95/44/595479544.db2.gz BOHWUNSMLZHTAN-UHFFFAOYSA-N 2 0 326.448 1.699 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])Nc1cc(OC)ccc1OC ZINC000849107615 595483096 /nfs/dbraw/zinc/48/30/96/595483096.db2.gz FCVMKHRGMIVAKF-CQSZACIVSA-N 2 0 338.452 1.997 20 0 EDADRP O=C1[C@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000852754280 595526641 /nfs/dbraw/zinc/52/66/41/595526641.db2.gz SATMZWGZHXGIIY-FUHWJXTLSA-N 2 0 335.492 1.478 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1[NH2+]CC12CCOCC2)c1ccccc1 ZINC000852774221 595537462 /nfs/dbraw/zinc/53/74/62/595537462.db2.gz QNNNKFCOIKYQCI-QZTJIDSGSA-N 2 0 345.487 1.954 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486028 595548012 /nfs/dbraw/zinc/54/80/12/595548012.db2.gz DOMKBQWYWKPQQF-ROUUACIJSA-N 2 0 347.507 1.446 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527051 595558357 /nfs/dbraw/zinc/55/83/57/595558357.db2.gz UFUGDBPOCCCGEG-DLBZAZTESA-N 2 0 333.480 1.010 20 0 EDADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849541674 595560484 /nfs/dbraw/zinc/56/04/84/595560484.db2.gz QMJQPUSSKNZNAC-SJORKVTESA-N 2 0 335.496 1.302 20 0 EDADRP COc1ccc([C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000852854861 595577347 /nfs/dbraw/zinc/57/73/47/595577347.db2.gz RPLPDPKPOVBQOZ-WBVHZDCISA-N 2 0 346.431 1.052 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852858278 595579937 /nfs/dbraw/zinc/57/99/37/595579937.db2.gz WUKTWTQECWADQZ-PBHICJAKSA-N 2 0 344.459 1.781 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)cn1 ZINC000849608592 595593835 /nfs/dbraw/zinc/59/38/35/595593835.db2.gz QVNIHBSHGXVEON-IKGGRYGDSA-N 2 0 347.507 1.444 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852888407 595600518 /nfs/dbraw/zinc/60/05/18/595600518.db2.gz JVGCEZPALJZMFD-DOTOQJQBSA-N 2 0 346.431 1.052 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858097698 595699259 /nfs/dbraw/zinc/69/92/59/595699259.db2.gz WBRDAERWVAZGOL-LBPRGKRZSA-N 2 0 344.301 1.298 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000853683614 595854303 /nfs/dbraw/zinc/85/43/03/595854303.db2.gz UVYGZLIAFNNEGY-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851884532 595962615 /nfs/dbraw/zinc/96/26/15/595962615.db2.gz DLKZNQDUETWJHS-LJQANCHMSA-N 2 0 333.476 1.413 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC000856428750 595988078 /nfs/dbraw/zinc/98/80/78/595988078.db2.gz DRVVJYUOLDTTKA-KRWDZBQOSA-N 2 0 325.497 1.822 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)COC(=O)N2 ZINC000861467143 595995522 /nfs/dbraw/zinc/99/55/22/595995522.db2.gz ZJWSAHLPDSXDHJ-UHFFFAOYSA-N 2 0 349.435 1.706 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COC2CCOCC2)cc1 ZINC000859214742 596006107 /nfs/dbraw/zinc/00/61/07/596006107.db2.gz MXZZUMLLVTWRCZ-GOSISDBHSA-N 2 0 336.476 1.737 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000861548233 596025571 /nfs/dbraw/zinc/02/55/71/596025571.db2.gz OQTGKFRTAAFDTN-GOEBONIOSA-N 2 0 334.464 1.821 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@@](C)=O)C2)ccn1 ZINC000856603763 596031734 /nfs/dbraw/zinc/03/17/34/596031734.db2.gz FPMBCHKADOAASA-GAJHUEQPSA-N 2 0 339.505 1.753 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635426 596041133 /nfs/dbraw/zinc/04/11/33/596041133.db2.gz RZGGTOVQCVVVAZ-GOSISDBHSA-N 2 0 348.491 1.855 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000861602056 596043843 /nfs/dbraw/zinc/04/38/43/596043843.db2.gz FJQQJFFGNAHBCY-CQSZACIVSA-N 2 0 334.464 1.132 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3CC[NH+](C)C[C@@H]3C2)[C@@H](c2ccccc2)C1 ZINC000861773384 596097959 /nfs/dbraw/zinc/09/79/59/596097959.db2.gz CKVWCTDYGWQHJK-MANSERQUSA-N 2 0 327.472 1.742 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000857110936 596159801 /nfs/dbraw/zinc/15/98/01/596159801.db2.gz XGSXAHYDANLVDC-MAUKXSAKSA-N 2 0 334.464 1.002 20 0 EDADRP CC[C@@H](CO)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000857329615 596214023 /nfs/dbraw/zinc/21/40/23/596214023.db2.gz NGZMCCLWBMGUGP-WBVHZDCISA-N 2 0 333.476 1.516 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC[N@@H+]1C ZINC000866520529 596238865 /nfs/dbraw/zinc/23/88/65/596238865.db2.gz DRCJXRYRFANFJV-CZUORRHYSA-N 2 0 330.432 1.311 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868626915 596251046 /nfs/dbraw/zinc/25/10/46/596251046.db2.gz OZXDMMLNIMNNQG-MRXNPFEDSA-N 2 0 339.528 1.137 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000866666732 596285052 /nfs/dbraw/zinc/28/50/52/596285052.db2.gz VUKUPNGBDYKSKP-MSOLQXFVSA-N 2 0 331.460 1.546 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@@H+]([C@@H]2CCCc3ccccc32)C1 ZINC000866708051 596303430 /nfs/dbraw/zinc/30/34/30/596303430.db2.gz CNDCPBBFHGNZOY-XOYOTBSWSA-N 2 0 327.428 1.931 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791474 596307513 /nfs/dbraw/zinc/30/75/13/596307513.db2.gz QHWFEJSAOCIUQM-QYZOEREBSA-N 2 0 342.487 1.997 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C1 ZINC000870883814 596388882 /nfs/dbraw/zinc/38/88/82/596388882.db2.gz GQXWDJHXWOCSEA-ZDUSSCGKSA-N 2 0 338.477 1.061 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090020 596470612 /nfs/dbraw/zinc/47/06/12/596470612.db2.gz VSUGOBKOSQRAML-AEFFLSMTSA-N 2 0 349.523 1.702 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1cnc2c(cnn2C)c1)N1CC[NH+](C)CC1 ZINC000865410680 596566682 /nfs/dbraw/zinc/56/66/82/596566682.db2.gz DLQJSDZHVHQSNP-QGZVFWFLSA-N 2 0 330.480 1.330 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863555933 596617754 /nfs/dbraw/zinc/61/77/54/596617754.db2.gz KGVOLZAYNUJLMT-IBGZPJMESA-N 2 0 332.492 1.697 20 0 EDADRP CC(C)(O)C[N@@H+]1CCc2c(cccc2NC[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863559403 596618327 /nfs/dbraw/zinc/61/83/27/596618327.db2.gz MZMJQUPWOVKNMG-QGZVFWFLSA-N 2 0 347.503 1.684 20 0 EDADRP CN1CCn2nc(NC(=O)Nc3cnc4c(c3)C[NH2+]CC4)cc2C1 ZINC000868168770 596708843 /nfs/dbraw/zinc/70/88/43/596708843.db2.gz XWDXORMUQWBJAZ-UHFFFAOYSA-N 2 0 327.392 1.013 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@@H]32)C[C@H]1C[NH+](C)C ZINC000870017679 596709480 /nfs/dbraw/zinc/70/94/80/596709480.db2.gz RDTAGVCUQYFZOC-CVYSASLGSA-N 2 0 341.499 1.770 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)CC[C@H]21 ZINC000868171512 596710046 /nfs/dbraw/zinc/71/00/46/596710046.db2.gz AIEZUSXUESDCFC-GOEBONIOSA-N 2 0 330.432 1.727 20 0 EDADRP CCO[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023310 596713143 /nfs/dbraw/zinc/71/31/43/596713143.db2.gz SDTXAIRZKRBVLW-GUDVDZBRSA-N 2 0 347.503 1.962 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)cccc2F)C[C@H]1C[NH+](C)C ZINC000870024356 596714030 /nfs/dbraw/zinc/71/40/30/596714030.db2.gz ZOUVVKATJDARIT-CHWSQXEVSA-N 2 0 325.403 1.776 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3S2)C[C@H]1C[NH+](C)C ZINC000870024361 596714155 /nfs/dbraw/zinc/71/41/55/596714155.db2.gz ZVMUTMVBHOEPAA-JFIYKMOQSA-N 2 0 347.528 1.901 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3nccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219957 596731765 /nfs/dbraw/zinc/73/17/65/596731765.db2.gz ODAGHHQMZDIFJO-NEPJUHHUSA-N 2 0 345.369 1.681 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000868226434 596734910 /nfs/dbraw/zinc/73/49/10/596734910.db2.gz BYVKFPZUFKEFDI-HZMVEIRTSA-N 2 0 342.443 1.183 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230361 596736891 /nfs/dbraw/zinc/73/68/91/596736891.db2.gz ZLMNQCVGIUQCFE-VBNZEHGJSA-N 2 0 332.448 1.286 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000864094129 596753416 /nfs/dbraw/zinc/75/34/16/596753416.db2.gz GPUXZYWQCFEQSF-UHFFFAOYSA-N 2 0 330.274 1.289 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2cc(NCC3CC3)ncn2)C[C@H]1C[NH+](C)C ZINC000866012813 596758086 /nfs/dbraw/zinc/75/80/86/596758086.db2.gz QXBCVVHPDODMFP-HZPDHXFCSA-N 2 0 332.496 1.474 20 0 EDADRP CN(C)c1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866041056 596769910 /nfs/dbraw/zinc/76/99/10/596769910.db2.gz MRGVYQYAEMQGQO-HUUCEWRRSA-N 2 0 348.495 1.351 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000872152998 596814184 /nfs/dbraw/zinc/81/41/84/596814184.db2.gz XSYMBWBKOLMTIF-GJZGRUSLSA-N 3 0 336.446 1.472 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000872201290 596832923 /nfs/dbraw/zinc/83/29/23/596832923.db2.gz VMXJEVSVTPYDGG-IBGZPJMESA-N 2 0 349.519 1.700 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000872254767 596855902 /nfs/dbraw/zinc/85/59/02/596855902.db2.gz CYISDNMDEUUCQY-NHUAKYFASA-N 2 0 349.381 1.845 20 0 EDADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257377 596857151 /nfs/dbraw/zinc/85/71/51/596857151.db2.gz QMCRQASOKSZQMR-HPBDAGMYSA-N 2 0 329.444 1.732 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCCN(CC(F)F)C2)CCSC1 ZINC000866333879 596860236 /nfs/dbraw/zinc/86/02/36/596860236.db2.gz OTMPQAOXNWMPJF-SWLSCSKDSA-N 2 0 335.464 1.517 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000866413167 596880188 /nfs/dbraw/zinc/88/01/88/596880188.db2.gz OUZISKMIECLYQV-IRXDYDNUSA-N 2 0 325.497 1.065 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)C(C)(C)[C@@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000872637031 597003153 /nfs/dbraw/zinc/00/31/53/597003153.db2.gz ZURGXHUCFZHKIZ-ZACQAIPSSA-N 2 0 336.524 1.262 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000876520282 597228851 /nfs/dbraw/zinc/22/88/51/597228851.db2.gz HWVBSPUHQFKMSO-GDBMZVCRSA-N 2 0 329.400 1.581 20 0 EDADRP NC(=O)Cc1cccc2c1CC[N@H+](Cc1cc3c(s1)CC[NH2+]C3)C2 ZINC000873215861 597230360 /nfs/dbraw/zinc/23/03/60/597230360.db2.gz FWLUFKUNQWTKMT-UHFFFAOYSA-N 2 0 341.480 1.980 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)C1 ZINC000873226971 597234165 /nfs/dbraw/zinc/23/41/65/597234165.db2.gz FIVJRIONEOWQRQ-OXJNMPFZSA-N 2 0 327.472 1.774 20 0 EDADRP C[C@@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237683 597236084 /nfs/dbraw/zinc/23/60/84/597236084.db2.gz SRCCUYXYTSVTHQ-TZMCWYRMSA-N 2 0 325.478 1.763 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247683 597239429 /nfs/dbraw/zinc/23/94/29/597239429.db2.gz RUPXDUXGLPHPHI-NVXWUHKLSA-N 3 0 326.448 1.442 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2C[C@H]2C2CCOCC2)CC[NH2+]CC1 ZINC000873252761 597241148 /nfs/dbraw/zinc/24/11/48/597241148.db2.gz RHLXORNMZNAQPV-PVAVHDDUSA-N 2 0 338.492 1.960 20 0 EDADRP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)cc1 ZINC000873265095 597243222 /nfs/dbraw/zinc/24/32/22/597243222.db2.gz GPZHSQCQPFAWEB-VBSBHUPXSA-N 2 0 347.503 1.538 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)n2)CC1 ZINC000873322988 597256324 /nfs/dbraw/zinc/25/63/24/597256324.db2.gz KHWQYGVGQDMPNL-PBHICJAKSA-N 2 0 332.452 1.556 20 0 EDADRP Cc1ccc2nc(CNC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)cn2c1 ZINC000875133151 597295767 /nfs/dbraw/zinc/29/57/67/597295767.db2.gz YIPWAIJYPNSKAY-ZBFHGGJFSA-N 2 0 327.432 1.878 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000876719485 597303303 /nfs/dbraw/zinc/30/33/03/597303303.db2.gz MIKNVOHIKLXTEE-UHFFFAOYSA-N 2 0 345.422 1.412 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)ccc1OCC[NH+](C)C ZINC000876731698 597311288 /nfs/dbraw/zinc/31/12/88/597311288.db2.gz SOPLXLRPEAHMLF-WMLDXEAASA-N 2 0 349.475 1.625 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876769912 597332346 /nfs/dbraw/zinc/33/23/46/597332346.db2.gz CUFHMSZQMXNQKU-QAPCUYQASA-N 2 0 330.432 1.318 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876779319 597337800 /nfs/dbraw/zinc/33/78/00/597337800.db2.gz AQECIFSSIBPPSA-YOEHRIQHSA-N 2 0 334.439 1.715 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793594 597341949 /nfs/dbraw/zinc/34/19/49/597341949.db2.gz RIMQGRJCXLAVTK-OAHLLOKOSA-N 2 0 331.464 1.332 20 0 EDADRP Cc1cccnc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875241403 597349190 /nfs/dbraw/zinc/34/91/90/597349190.db2.gz LABMBQYKCWYUGX-HZPDHXFCSA-N 2 0 333.480 1.271 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)cn1 ZINC000876845599 597357108 /nfs/dbraw/zinc/35/71/08/597357108.db2.gz FQPPXENJZMPVAD-QGZVFWFLSA-N 2 0 327.432 1.062 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875266395 597359481 /nfs/dbraw/zinc/35/94/81/597359481.db2.gz UQIYWBOXAPGSMD-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)C(F)F ZINC000876864447 597362058 /nfs/dbraw/zinc/36/20/58/597362058.db2.gz SLZXSAFMLBADDL-ZJUUUORDSA-N 2 0 325.281 1.804 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875276552 597364827 /nfs/dbraw/zinc/36/48/27/597364827.db2.gz ZLPIJVGRSNUDGT-IAGOWNOFSA-N 3 0 341.544 1.099 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C(C)(C)C ZINC000875302140 597376019 /nfs/dbraw/zinc/37/60/19/597376019.db2.gz LTKVKVUYPUYZKC-LSDHHAIUSA-N 2 0 342.528 1.497 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000876964603 597399301 /nfs/dbraw/zinc/39/93/01/597399301.db2.gz KRZBGUSVNGRFCW-SEXGHCQPSA-N 2 0 331.435 1.920 20 0 EDADRP CCOC(=O)N1CCC(C)(C[NH2+]CCC[NH+]2CCC(O)CC2)CC1 ZINC000876966877 597400861 /nfs/dbraw/zinc/40/08/61/597400861.db2.gz YAQLAQHLNHASHU-UHFFFAOYSA-N 2 0 341.496 1.681 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)c3cc([C@@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000877191995 597457331 /nfs/dbraw/zinc/45/73/31/597457331.db2.gz GOLKSEUUZYEYTC-CQSZACIVSA-N 2 0 331.464 1.435 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201152 597460746 /nfs/dbraw/zinc/46/07/46/597460746.db2.gz DRMDZXZJJLNTOM-OALUTQOASA-N 2 0 345.487 1.769 20 0 EDADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1)C1CCCC1 ZINC000877444646 597516721 /nfs/dbraw/zinc/51/67/21/597516721.db2.gz LVFYJZMGCGWMMM-QAPCUYQASA-N 2 0 337.508 1.901 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000877451917 597517272 /nfs/dbraw/zinc/51/72/72/597517272.db2.gz VZOOWLRMQSPFRF-CGTJXYLNSA-N 2 0 326.444 1.733 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000877450904 597517407 /nfs/dbraw/zinc/51/74/07/597517407.db2.gz HVDLYAKOSOEVHF-OAGGEKHMSA-N 2 0 331.464 1.425 20 0 EDADRP COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1OC ZINC000877668217 597546395 /nfs/dbraw/zinc/54/63/95/597546395.db2.gz GWLXTZZDBIHFIC-IAGOWNOFSA-N 2 0 335.492 1.875 20 0 EDADRP CCOC(=O)c1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)on1 ZINC000877670891 597546602 /nfs/dbraw/zinc/54/66/02/597546602.db2.gz QUFVYQAQQAIKHZ-ZIAGYGMSSA-N 2 0 338.452 1.023 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCC3CCS(=O)(=O)CC3)c2)CC1 ZINC000877690550 597547984 /nfs/dbraw/zinc/54/79/84/597547984.db2.gz AGOYZMWTSDILSL-UHFFFAOYSA-N 2 0 338.477 1.070 20 0 EDADRP Cn1nnnc1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000878041705 597571624 /nfs/dbraw/zinc/57/16/24/597571624.db2.gz XBDYHYWSDUGWPR-UHFFFAOYSA-N 2 0 328.464 1.597 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000878118987 597579931 /nfs/dbraw/zinc/57/99/31/597579931.db2.gz XAOUZFUEQCFPQO-WOVMCDHWSA-N 2 0 339.524 1.827 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCCC2)[C@H](C)C1 ZINC000878447078 597602584 /nfs/dbraw/zinc/60/25/84/597602584.db2.gz KWTKTYXXTPSYGH-SQNIBIBYSA-N 2 0 342.524 1.769 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447071 597602694 /nfs/dbraw/zinc/60/26/94/597602694.db2.gz KWTKTYXXTPSYGH-BZSNNMDCSA-N 2 0 342.524 1.769 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062051 597636415 /nfs/dbraw/zinc/63/64/15/597636415.db2.gz PJJBAWPIAPGQQT-RDJZCZTQSA-N 2 0 334.464 1.691 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883416495 597739196 /nfs/dbraw/zinc/73/91/96/597739196.db2.gz WHPTWKXKTHYULA-GJZGRUSLSA-N 2 0 329.448 1.538 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000879963745 597786310 /nfs/dbraw/zinc/78/63/10/597786310.db2.gz NQCKQDXKJSMRJM-QZTJIDSGSA-N 2 0 347.503 1.888 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883574795 597808587 /nfs/dbraw/zinc/80/85/87/597808587.db2.gz POWXXWAFMIONSR-AAEUAGOBSA-N 2 0 345.369 1.581 20 0 EDADRP CC(C)(C[NH3+])NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586421 597815012 /nfs/dbraw/zinc/81/50/12/597815012.db2.gz LGSADUNLHKWNBZ-MRXNPFEDSA-N 2 0 331.464 1.830 20 0 EDADRP COC(=O)Cc1ccccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000132450837 597849132 /nfs/dbraw/zinc/84/91/32/597849132.db2.gz DLHMZWSEBLKXIR-UHFFFAOYSA-N 2 0 346.471 1.946 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000879249451 597864836 /nfs/dbraw/zinc/86/48/36/597864836.db2.gz QLPFVTSCVATLSE-MRXNPFEDSA-N 2 0 343.537 1.466 20 0 EDADRP C[C@H]1C[N@H+](CCCN2C(=O)NC(C)(C)C2=O)CCN1c1cc[nH+]cc1 ZINC000880260775 597886297 /nfs/dbraw/zinc/88/62/97/597886297.db2.gz FOAYPRRTJTXAJR-AWEZNQCLSA-N 2 0 345.447 1.313 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000884185654 598018252 /nfs/dbraw/zinc/01/82/52/598018252.db2.gz CAMPHPBFYLDJTD-DAYGRLMNSA-N 2 0 349.475 1.276 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CCOCC1 ZINC000884218921 598032704 /nfs/dbraw/zinc/03/27/04/598032704.db2.gz CHONODCZBIGJNZ-INIZCTEOSA-N 2 0 345.443 1.530 20 0 EDADRP C[C@@H]1CN(c2cc(-n3cccn3)nc(N)[nH+]2)CCN1c1cc[nH+]cc1 ZINC000882821097 598070315 /nfs/dbraw/zinc/07/03/15/598070315.db2.gz LBCQFCMEGKWDIZ-CYBMUJFWSA-N 2 0 336.403 1.355 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cccc(-c2nn[nH]n2)c1 ZINC000738393003 598713586 /nfs/dbraw/zinc/71/35/86/598713586.db2.gz HNHKCBCPTNCMGF-MRXNPFEDSA-N 2 0 330.436 1.193 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914115847 695121861 /nfs/dbraw/zinc/12/18/61/695121861.db2.gz HIMLABPHTFETHM-HOTGVXAUSA-N 2 0 329.510 1.076 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC000992687292 695206843 /nfs/dbraw/zinc/20/68/43/695206843.db2.gz DDQHXHWRZMCMJJ-BZUAXINKSA-N 2 0 333.480 1.295 20 0 EDADRP C[NH+](C)CCN(C1CCCC1)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914244625 695298052 /nfs/dbraw/zinc/29/80/52/695298052.db2.gz NAERQZUTMYTTKG-KRWDZBQOSA-N 2 0 343.537 1.608 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)C[NH+]1CCCC1 ZINC000914243414 695303207 /nfs/dbraw/zinc/30/32/07/695303207.db2.gz KXXAFJCQTOQGSI-OWCLPIDISA-N 2 0 340.537 1.597 20 0 EDADRP Cc1nonc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)Cc3ncc[nH]3)C[C@@H]21 ZINC000992866712 695413526 /nfs/dbraw/zinc/41/35/26/695413526.db2.gz WXMPDGTXXMLGGW-MELADBBJSA-N 2 0 344.419 1.061 20 0 EDADRP O=C(NC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031234270 695926498 /nfs/dbraw/zinc/92/64/98/695926498.db2.gz ATGMEYMBNKXHNA-PXNSSMCTSA-N 2 0 347.503 1.335 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993365183 696013299 /nfs/dbraw/zinc/01/32/99/696013299.db2.gz LLAYPNGPLFWDDM-HZPDHXFCSA-N 2 0 335.496 1.683 20 0 EDADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993991365 696484770 /nfs/dbraw/zinc/48/47/70/696484770.db2.gz UKHNRUKUVBEHEC-WMZOPIPTSA-N 2 0 347.507 1.994 20 0 EDADRP CNC(=O)CN1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000994001122 696500666 /nfs/dbraw/zinc/50/06/66/696500666.db2.gz BXVIBYQIPZFNMA-PBHICJAKSA-N 2 0 346.475 1.077 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@H]2C)CC1 ZINC000994135158 696529987 /nfs/dbraw/zinc/52/99/87/696529987.db2.gz QGUYETOLTJLNBC-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000916807854 696784385 /nfs/dbraw/zinc/78/43/85/696784385.db2.gz KKTYLVYYIOIBJJ-CRAIPNDOSA-N 2 0 348.491 1.561 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000916807855 696784409 /nfs/dbraw/zinc/78/44/09/696784409.db2.gz KKTYLVYYIOIBJJ-MAUKXSAKSA-N 2 0 348.491 1.561 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940008286 700109970 /nfs/dbraw/zinc/10/99/70/700109970.db2.gz HPNSMXSVTYHHIR-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000940008640 700110789 /nfs/dbraw/zinc/11/07/89/700110789.db2.gz WOZQQCKYTAIXHT-CQSZACIVSA-N 2 0 349.479 1.758 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC2CN(C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031419024 697072912 /nfs/dbraw/zinc/07/29/12/697072912.db2.gz RMNZKBRLAAIUKD-UKRRQHHQSA-N 2 0 345.434 1.333 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)CCO1 ZINC001031434229 697097387 /nfs/dbraw/zinc/09/73/87/697097387.db2.gz ZFZPYHHFBOAUBL-DOTOQJQBSA-N 2 0 345.487 1.977 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000919050635 697236890 /nfs/dbraw/zinc/23/68/90/697236890.db2.gz KOEFXMVBTCPMRH-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031580806 697278518 /nfs/dbraw/zinc/27/85/18/697278518.db2.gz WFWKEDMAZUDJME-GOSISDBHSA-N 2 0 329.444 1.359 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001031584354 697279788 /nfs/dbraw/zinc/27/97/88/697279788.db2.gz BZYMXLMBGHQTMQ-MSOLQXFVSA-N 2 0 331.460 1.516 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CN(C)CCO3)C2)c(C)c1 ZINC001031597197 697296631 /nfs/dbraw/zinc/29/66/31/697296631.db2.gz WMBPTAHWBYHOAH-SFHVURJKSA-N 2 0 331.460 1.182 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[N@H+](CCO[C@@H]3CC3(F)F)C2)CC1 ZINC001015797061 697403508 /nfs/dbraw/zinc/40/35/08/697403508.db2.gz WKASDQYQNKWEMS-HUUCEWRRSA-N 2 0 345.434 1.333 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000920236479 697410235 /nfs/dbraw/zinc/41/02/35/697410235.db2.gz PGMQCCGRZITFIV-KFWWJZLASA-N 2 0 326.510 1.350 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000920266845 697417364 /nfs/dbraw/zinc/41/73/64/697417364.db2.gz XZWNUFCNDKEVFW-PBHICJAKSA-N 2 0 330.476 1.477 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)CCCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000920768423 697476784 /nfs/dbraw/zinc/47/67/84/697476784.db2.gz NHNVNXZLZIQKDY-IAGOWNOFSA-N 2 0 325.497 1.868 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674467 697483148 /nfs/dbraw/zinc/48/31/48/697483148.db2.gz JWSUJSRITDNREN-CJNGLKHVSA-N 2 0 341.446 1.812 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688264 697519981 /nfs/dbraw/zinc/51/99/81/697519981.db2.gz BYJVCIRIFGQJOP-MSOLQXFVSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCC[NH+](CCO)CC1 ZINC000948575118 700162846 /nfs/dbraw/zinc/16/28/46/700162846.db2.gz PXMMIKLMZMVFRY-DLBZAZTESA-N 2 0 325.497 1.412 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001031714959 697738025 /nfs/dbraw/zinc/73/80/25/697738025.db2.gz NQZCMCNOTSAFRX-SFHVURJKSA-N 2 0 347.507 1.422 20 0 EDADRP Cc1oncc1CN1CC(CNC(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC001031729196 698082493 /nfs/dbraw/zinc/08/24/93/698082493.db2.gz HNUVPTCOVNRYKA-INIZCTEOSA-N 2 0 334.464 1.509 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730816 698093159 /nfs/dbraw/zinc/09/31/59/698093159.db2.gz ZBXSJTSMHSZYRC-LPHOPBHVSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1CN(C)C[C@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)O1 ZINC001031765903 699060021 /nfs/dbraw/zinc/06/00/21/699060021.db2.gz UCPVPILDNGGMGZ-RHSMWYFYSA-N 2 0 335.492 1.334 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939128803 699207888 /nfs/dbraw/zinc/20/78/88/699207888.db2.gz QGYUCKLOIKOTID-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)cn1 ZINC000939136854 699223649 /nfs/dbraw/zinc/22/36/49/699223649.db2.gz CKBWUKIEJWSMKU-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP CCc1nnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137614 699225096 /nfs/dbraw/zinc/22/50/96/699225096.db2.gz LEFBREBEMWJPTH-KBPBESRZSA-N 2 0 349.479 1.300 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939138240 699230379 /nfs/dbraw/zinc/23/03/79/699230379.db2.gz UWVAQTAVXDCXRF-CZUORRHYSA-N 2 0 348.491 1.960 20 0 EDADRP CC[C@@H](C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1)[NH+](C)C ZINC000941571185 701580834 /nfs/dbraw/zinc/58/08/34/701580834.db2.gz OBQASVRMVATBRN-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCN(C3C[NH+](CC4CCC4)C3)CC2)CC1 ZINC000941596022 701587604 /nfs/dbraw/zinc/58/76/04/701587604.db2.gz TVJYDQIQUZYNRT-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939257086 699434356 /nfs/dbraw/zinc/43/43/56/699434356.db2.gz JFQSHHGXKDQPTQ-KSSFIOAISA-N 2 0 347.507 1.397 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939396558 699546384 /nfs/dbraw/zinc/54/63/84/699546384.db2.gz KHSRJILLOZSRJB-WMLDXEAASA-N 2 0 348.491 1.960 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC000939445649 699578705 /nfs/dbraw/zinc/57/87/05/699578705.db2.gz BKNLRRROKIOZHU-SJLPKXTDSA-N 2 0 347.507 1.440 20 0 EDADRP Cc1oncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164874 701604492 /nfs/dbraw/zinc/60/44/92/701604492.db2.gz BSNNYPXXVMRVDW-GDBMZVCRSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCc1ccccc1 ZINC000939543879 699684980 /nfs/dbraw/zinc/68/49/80/699684980.db2.gz GVEWKBHSBYFGTK-WMZOPIPTSA-N 2 0 327.472 1.761 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544030 699685199 /nfs/dbraw/zinc/68/51/99/699685199.db2.gz HDPZOIFKTPLXTJ-RDJZCZTQSA-N 2 0 328.460 1.422 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939552508 699702646 /nfs/dbraw/zinc/70/26/46/699702646.db2.gz ZOFDPVWYONIEEL-RHSMWYFYSA-N 2 0 345.491 1.032 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941677714 701616139 /nfs/dbraw/zinc/61/61/39/701616139.db2.gz UXMGCQUBTHJKII-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)ccn1 ZINC000939755891 699922506 /nfs/dbraw/zinc/92/25/06/699922506.db2.gz RMDDHCKJDXYWLI-HOCLYGCPSA-N 2 0 332.448 1.123 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001032118775 701623156 /nfs/dbraw/zinc/62/31/56/701623156.db2.gz UDOLHPGRYWYLDO-DNVCBOLYSA-N 2 0 349.519 1.724 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)n1 ZINC000939812922 699960467 /nfs/dbraw/zinc/96/04/67/699960467.db2.gz WSPDKCKSHWEYRJ-FUHWJXTLSA-N 2 0 347.507 1.716 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1)C1CC1 ZINC000940149661 700282728 /nfs/dbraw/zinc/28/27/28/700282728.db2.gz NNOGNKVDJJJHIF-OAHLLOKOSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000940164364 700299266 /nfs/dbraw/zinc/29/92/66/700299266.db2.gz LLXPTKSYAYPSDC-KRWDZBQOSA-N 2 0 349.523 1.785 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)on1 ZINC000940179039 700312723 /nfs/dbraw/zinc/31/27/23/700312723.db2.gz PVTUKFLWLCPEGW-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000995051599 700356637 /nfs/dbraw/zinc/35/66/37/700356637.db2.gz BTJTZJBBWYTAMB-DOTOQJQBSA-N 2 0 347.507 1.669 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000940200330 700358895 /nfs/dbraw/zinc/35/88/95/700358895.db2.gz LIZAWUOGZQMJHG-UHFFFAOYSA-N 2 0 345.491 1.519 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CC1 ZINC000940296820 700469229 /nfs/dbraw/zinc/46/92/29/700469229.db2.gz YNFCZZYZAMJMET-XLIONFOSSA-N 2 0 349.519 1.726 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000940328113 700505609 /nfs/dbraw/zinc/50/56/09/700505609.db2.gz FRRPJEZNQYUAJT-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC000940329575 700508967 /nfs/dbraw/zinc/50/89/67/700508967.db2.gz VNLHUCDLYHXTMT-OAHLLOKOSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940329501 700509180 /nfs/dbraw/zinc/50/91/80/700509180.db2.gz UTYMLQLFZVOXJJ-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP CCc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995169527 701648969 /nfs/dbraw/zinc/64/89/69/701648969.db2.gz UOGUHKVIHIXRLC-GJZGRUSLSA-N 2 0 346.475 1.707 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC000940365520 700546495 /nfs/dbraw/zinc/54/64/95/700546495.db2.gz HZLRCFFJNXUIJQ-UHFFFAOYSA-N 2 0 348.495 1.316 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)CC1 ZINC000940392678 700569234 /nfs/dbraw/zinc/56/92/34/700569234.db2.gz KBHGJWJGTSSBLY-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)CC1 ZINC000940392858 700569658 /nfs/dbraw/zinc/56/96/58/700569658.db2.gz RJDZFCBYZHQCQZ-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP CC1([NH2+]CC2CCOCC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428154 700622081 /nfs/dbraw/zinc/62/20/81/700622081.db2.gz VDLAAHADSHITQO-UHFFFAOYSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076919 700653747 /nfs/dbraw/zinc/65/37/47/700653747.db2.gz FQTLZYYCOFFTMP-NVXWUHKLSA-N 2 0 345.491 1.501 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472402 700657781 /nfs/dbraw/zinc/65/77/81/700657781.db2.gz VSLOCAVMZPRTGT-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000940461848 700665149 /nfs/dbraw/zinc/66/51/49/700665149.db2.gz NYUIYKXFSSFIFP-CQSZACIVSA-N 2 0 348.495 1.351 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082808 700726976 /nfs/dbraw/zinc/72/69/76/700726976.db2.gz ZTRAPSQKFRWGRA-DOTOQJQBSA-N 2 0 347.507 1.619 20 0 EDADRP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000940801886 700907296 /nfs/dbraw/zinc/90/72/96/700907296.db2.gz YQTOAIXELAFOMZ-DLBZAZTESA-N 2 0 337.508 1.602 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835280 700933434 /nfs/dbraw/zinc/93/34/34/700933434.db2.gz BEVDRGNYIMTYRT-JKSUJKDBSA-N 2 0 337.508 1.460 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)ccc2c[nH+]cn21 ZINC000940853174 700953419 /nfs/dbraw/zinc/95/34/19/700953419.db2.gz NVEBISYIGDWBOA-MRXNPFEDSA-N 2 0 330.432 1.465 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000940858373 700957280 /nfs/dbraw/zinc/95/72/80/700957280.db2.gz MDSAJLOQSOORKY-HZPDHXFCSA-N 2 0 325.497 1.316 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901849 700976851 /nfs/dbraw/zinc/97/68/51/700976851.db2.gz RFLNYDQTBLILJE-ASPXRTSYSA-N 2 0 349.519 1.722 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000995113016 701023688 /nfs/dbraw/zinc/02/36/88/701023688.db2.gz MWYWRWJSJPSMIC-DLBZAZTESA-N 2 0 347.507 1.527 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001031921865 701070109 /nfs/dbraw/zinc/07/01/09/701070109.db2.gz KHIOBANKEIYYHL-QFBILLFUSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2ccnn2C)CC1(C)C ZINC000941033333 701075615 /nfs/dbraw/zinc/07/56/15/701075615.db2.gz ORXVZROPIVXKEB-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(CN2CC(CNC(=O)c3occc3C[NH+](C)C)C2)cn1 ZINC001031932201 701383915 /nfs/dbraw/zinc/38/39/15/701383915.db2.gz XKXUVFSDOUUVSZ-UHFFFAOYSA-N 2 0 343.431 1.301 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@H+](CCCF)CC2(C)C)C1 ZINC000941230988 701404673 /nfs/dbraw/zinc/40/46/73/701404673.db2.gz LGMWGDWPVVMFDM-LSDHHAIUSA-N 2 0 329.460 1.283 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC000999172247 706603247 /nfs/dbraw/zinc/60/32/47/706603247.db2.gz FZEFJAFUPPPXFL-FUHWJXTLSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000999173653 706605037 /nfs/dbraw/zinc/60/50/37/706605037.db2.gz LIPVYFNFWLXJDC-FUHWJXTLSA-N 2 0 343.475 1.207 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](CC[C@H](C)F)C2)CC1)[NH+](C)C ZINC000941444208 701536179 /nfs/dbraw/zinc/53/61/79/701536179.db2.gz JJRSBWKJFNZXPP-RDJZCZTQSA-N 2 0 342.503 1.149 20 0 EDADRP C[N@H+](CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)C1CCC1 ZINC000941437678 701540584 /nfs/dbraw/zinc/54/05/84/701540584.db2.gz AZNVNKVOCOXJTN-UHFFFAOYSA-N 2 0 334.508 1.099 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000999191559 706634321 /nfs/dbraw/zinc/63/43/21/706634321.db2.gz ZUKQCWAQSWDBNG-FVQBIDKESA-N 2 0 334.464 1.712 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001031979459 702073375 /nfs/dbraw/zinc/07/33/75/702073375.db2.gz WRRNAXJFHSPZOE-IBGZPJMESA-N 2 0 347.503 1.877 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995824827 702095711 /nfs/dbraw/zinc/09/57/11/702095711.db2.gz LHUKZOIVPQUANY-XHSDSOJGSA-N 2 0 347.507 1.477 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CN(Cc3cc(Cl)ccc3F)C2)C1 ZINC001032183045 702153502 /nfs/dbraw/zinc/15/35/02/702153502.db2.gz YJPHJSIYVAHGSH-CYBMUJFWSA-N 2 0 339.842 1.979 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001032186865 702285829 /nfs/dbraw/zinc/28/58/29/702285829.db2.gz YHXMAPMSHOVKLL-QGZVFWFLSA-N 2 0 326.444 1.668 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)CC[N@@H+]1C ZINC000996197139 702623671 /nfs/dbraw/zinc/62/36/71/702623671.db2.gz QYRDDUZTAJQEHY-ZOBUZTSGSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC000995209180 702674112 /nfs/dbraw/zinc/67/41/12/702674112.db2.gz IOSDAEPQRRASMP-DOTOQJQBSA-N 2 0 331.464 1.255 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000996300453 702691608 /nfs/dbraw/zinc/69/16/08/702691608.db2.gz MONDMIOXMNQJLN-DYVFJYSZSA-N 2 0 331.451 1.995 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300206 702691826 /nfs/dbraw/zinc/69/18/26/702691826.db2.gz KGZGRXMOWTXMJA-YOEHRIQHSA-N 2 0 347.507 1.539 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300474 702692246 /nfs/dbraw/zinc/69/22/46/702692246.db2.gz MTVFHYJNZOAMMD-GDBMZVCRSA-N 2 0 348.495 1.109 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996301598 702693728 /nfs/dbraw/zinc/69/37/28/702693728.db2.gz VBZVIHKKEPKMTJ-RHSMWYFYSA-N 2 0 348.466 1.889 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2OC)C(C)(C)C1)[NH+](C)C ZINC000996315927 702704014 /nfs/dbraw/zinc/70/40/14/702704014.db2.gz UQSPBYSOKRKYNB-HOTGVXAUSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213784 702712708 /nfs/dbraw/zinc/71/27/08/702712708.db2.gz QMQJDFARSYWSII-HZPDHXFCSA-N 2 0 334.464 1.762 20 0 EDADRP COc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC000995214043 702715788 /nfs/dbraw/zinc/71/57/88/702715788.db2.gz RBEFJDMIRSEJSG-ZIAGYGMSSA-N 2 0 336.436 1.154 20 0 EDADRP C[C@H]([NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C)C(N)=O ZINC000996413313 702764555 /nfs/dbraw/zinc/76/45/55/702764555.db2.gz CFGUDEAWUGQNNS-BBRMVZONSA-N 2 0 346.475 1.062 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996475537 702807410 /nfs/dbraw/zinc/80/74/10/702807410.db2.gz CBYWEQOHFXKUQZ-WMLDXEAASA-N 2 0 332.448 1.630 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996476320 702808370 /nfs/dbraw/zinc/80/83/70/702808370.db2.gz FYUYGYISUANAPR-DOTOQJQBSA-N 2 0 343.475 1.432 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)C(C)(C)C2)CC1 ZINC000996477631 702809603 /nfs/dbraw/zinc/80/96/03/702809603.db2.gz YGMKDYFEPMOOQD-GDBMZVCRSA-N 2 0 325.497 1.314 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000996533427 702848063 /nfs/dbraw/zinc/84/80/63/702848063.db2.gz CIXNHOYWTCNFMZ-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H](NCc3nccs3)C(C)(C)C2)C1 ZINC000996517740 702853071 /nfs/dbraw/zinc/85/30/71/702853071.db2.gz GSUIGHVDISEZMS-UONOGXRCSA-N 2 0 336.505 1.812 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518250 702853718 /nfs/dbraw/zinc/85/37/18/702853718.db2.gz IUFQMRXYLNNQDA-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996521297 702856783 /nfs/dbraw/zinc/85/67/83/702856783.db2.gz VFMQYBITSUMFJS-JSGCOSHPSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562092 702875622 /nfs/dbraw/zinc/87/56/22/702875622.db2.gz SCQNXALTHXSPNT-QGZVFWFLSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559818 702877938 /nfs/dbraw/zinc/87/79/38/702877938.db2.gz FREGTZWBHQHGRE-OAHLLOKOSA-N 2 0 349.504 1.269 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CCCO)CC1 ZINC000948438928 702900594 /nfs/dbraw/zinc/90/05/94/702900594.db2.gz CPSIFGZBVZSCIB-ZWKOTPCHSA-N 2 0 339.524 1.945 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)s1 ZINC000996607259 702910637 /nfs/dbraw/zinc/91/06/37/702910637.db2.gz LUWHIKAXZKAKNV-UKRRQHHQSA-N 2 0 336.505 1.872 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)CC[N@@H+]1C ZINC000996608377 702911664 /nfs/dbraw/zinc/91/16/64/702911664.db2.gz SBUVLQPRJULMGB-IUODEOHRSA-N 2 0 329.435 1.953 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605467 702915047 /nfs/dbraw/zinc/91/50/47/702915047.db2.gz FKKBZPMDUHTYFS-IIAWOOMASA-N 2 0 331.464 1.458 20 0 EDADRP C[C@H](O)C[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000996647445 702949531 /nfs/dbraw/zinc/94/95/31/702949531.db2.gz UMRTVSPCNUVTHF-LBPRGKRZSA-N 2 0 325.478 1.385 20 0 EDADRP Cn1cc(CC[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000996665589 702968167 /nfs/dbraw/zinc/96/81/67/702968167.db2.gz MZTIWMNXBSILEW-UHFFFAOYSA-N 2 0 333.480 1.028 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)ccn1 ZINC000996673860 702969143 /nfs/dbraw/zinc/96/91/43/702969143.db2.gz YCMHKJARWOUQDU-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)c1ncccn1 ZINC000996670765 702971861 /nfs/dbraw/zinc/97/18/61/702971861.db2.gz DNZZPHQKMXZVIW-CQSZACIVSA-N 2 0 331.464 1.603 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1)C1CC1 ZINC000996680958 702979336 /nfs/dbraw/zinc/97/93/36/702979336.db2.gz XGJAGFKEFLTQOR-OAHLLOKOSA-N 2 0 329.435 1.953 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCO2)CC1)[NH+](C)C ZINC000996692245 702989388 /nfs/dbraw/zinc/98/93/88/702989388.db2.gz MCFKXEQNYXZKJF-SJORKVTESA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000996694713 702991496 /nfs/dbraw/zinc/99/14/96/702991496.db2.gz YTYTUGQODMQHMO-PBHICJAKSA-N 2 0 333.480 1.704 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996720217 703013973 /nfs/dbraw/zinc/01/39/73/703013973.db2.gz RXMLDWYJJSJEMB-IRXDYDNUSA-N 2 0 343.475 1.574 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996755404 703044214 /nfs/dbraw/zinc/04/42/14/703044214.db2.gz CQGXROCKAVRWIX-KRWDZBQOSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942558583 703063263 /nfs/dbraw/zinc/06/32/63/703063263.db2.gz YSINGMLYRRGNHZ-DLBZAZTESA-N 2 0 347.507 1.584 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996860781 703144255 /nfs/dbraw/zinc/14/42/55/703144255.db2.gz WLEHKEUUGYYDPL-INIZCTEOSA-N 2 0 333.436 1.025 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000996920856 703191902 /nfs/dbraw/zinc/19/19/02/703191902.db2.gz GDSDWLAWSICTGJ-BBWFWOEESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3nncs3)CC2)CC[N@@H+]1C ZINC000996921147 703192088 /nfs/dbraw/zinc/19/20/88/703192088.db2.gz JDMZHFXZEHHCOP-STQMWFEESA-N 2 0 337.493 1.349 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718131 703231934 /nfs/dbraw/zinc/23/19/34/703231934.db2.gz BVGQVHCEERDKRW-QFBILLFUSA-N 2 0 347.503 1.613 20 0 EDADRP Cc1conc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996978792 703234299 /nfs/dbraw/zinc/23/42/99/703234299.db2.gz JRWYTZAKSPOGEY-PBHICJAKSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1C ZINC000996996690 703259873 /nfs/dbraw/zinc/25/98/73/703259873.db2.gz YJSNAURZNPVZKL-AWEZNQCLSA-N 2 0 333.480 1.293 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000996996874 703260479 /nfs/dbraw/zinc/26/04/79/703260479.db2.gz AJGRCPSXFZIHOR-UONOGXRCSA-N 2 0 349.479 1.615 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000996996937 703260586 /nfs/dbraw/zinc/26/05/86/703260586.db2.gz ATZRXEAACBCWQW-CQSZACIVSA-N 2 0 336.505 1.608 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005304 703262457 /nfs/dbraw/zinc/26/24/57/703262457.db2.gz DHHWKBAHWGWRAY-QAPCUYQASA-N 2 0 347.507 1.742 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997005363 703262737 /nfs/dbraw/zinc/26/27/37/703262737.db2.gz IDMWNLRENWNEDM-DZGCQCFKSA-N 2 0 334.464 1.966 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000997006423 703263885 /nfs/dbraw/zinc/26/38/85/703263885.db2.gz MAHQCHHFRUWISR-CQSZACIVSA-N 2 0 334.439 1.643 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC000997007295 703264812 /nfs/dbraw/zinc/26/48/12/703264812.db2.gz PQLILFIZGCDJIF-AWEZNQCLSA-N 2 0 331.464 1.207 20 0 EDADRP O=C(Cc1cnc[nH]1)N1CCC([NH2+]Cc2nc3c(o2)CCCC3)CC1 ZINC000997043274 703290197 /nfs/dbraw/zinc/29/01/97/703290197.db2.gz WSGBWQIAOIIZOP-UHFFFAOYSA-N 2 0 343.431 1.600 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000997059345 703303409 /nfs/dbraw/zinc/30/34/09/703303409.db2.gz AMANUSOFDWOEBX-GOSISDBHSA-N 2 0 347.507 1.764 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1)[NH+]1CCCCCC1 ZINC000997064945 703309785 /nfs/dbraw/zinc/30/97/85/703309785.db2.gz WTOPNOONYISBNY-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408694 703436136 /nfs/dbraw/zinc/43/61/36/703436136.db2.gz CMPNAAQMJSKQNI-FJIDUMEYSA-N 2 0 335.492 1.427 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC000997184302 703472940 /nfs/dbraw/zinc/47/29/40/703472940.db2.gz NXIVVQGWQWARJK-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)[NH+](C)C ZINC001060822114 703537226 /nfs/dbraw/zinc/53/72/26/703537226.db2.gz RNRSALFUINZPFR-BZUAXINKSA-N 2 0 340.512 1.070 20 0 EDADRP CCc1cc(NC[C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)n1 ZINC001060824980 703554582 /nfs/dbraw/zinc/55/45/82/703554582.db2.gz MKSYAGYJXNRMIG-ZBFHGGJFSA-N 2 0 331.464 1.702 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]CCc3ccccc3F)CC2)C1 ZINC000997299903 703557086 /nfs/dbraw/zinc/55/70/86/703557086.db2.gz QZYKESITZXHWJA-MRXNPFEDSA-N 2 0 333.451 1.901 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000997307378 703565721 /nfs/dbraw/zinc/56/57/21/703565721.db2.gz PHDLHQFVEGVCIG-UHFFFAOYSA-N 2 0 333.480 1.122 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997364264 703597663 /nfs/dbraw/zinc/59/76/63/703597663.db2.gz JSFJMFILGUQFCC-UHFFFAOYSA-N 2 0 333.480 1.377 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361380 703598567 /nfs/dbraw/zinc/59/85/67/703598567.db2.gz URLIJDQCSPLAKK-GASCZTMLSA-N 2 0 348.495 1.251 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC000997367087 703601519 /nfs/dbraw/zinc/60/15/19/703601519.db2.gz JWXWSDJKASHQBN-PXNSSMCTSA-N 2 0 349.519 1.870 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997367150 703601545 /nfs/dbraw/zinc/60/15/45/703601545.db2.gz WAQUWAMOSQCTEN-HNNXBMFYSA-N 2 0 337.493 1.493 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnon2)CC1)[NH+]1CCCC1 ZINC000997370181 703612802 /nfs/dbraw/zinc/61/28/02/703612802.db2.gz VAEYVIPNISKUJE-INIZCTEOSA-N 2 0 335.452 1.271 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCCO2)CCC1 ZINC001032443575 703620134 /nfs/dbraw/zinc/62/01/34/703620134.db2.gz YEVGSYFEDMBUPS-ULQDDVLXSA-N 2 0 335.492 1.715 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1)C12CCC[NH+]1CCC2 ZINC001032498501 703797470 /nfs/dbraw/zinc/79/74/70/703797470.db2.gz XPFXOHHUVAEDSF-GJZGRUSLSA-N 2 0 339.430 1.945 20 0 EDADRP COc1cccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997605720 703903464 /nfs/dbraw/zinc/90/34/64/703903464.db2.gz HANVMVNLXSFEOO-KRWDZBQOSA-N 2 0 346.475 1.513 20 0 EDADRP CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997612590 703910039 /nfs/dbraw/zinc/91/00/39/703910039.db2.gz JIRCSEMQSVXHAF-SFHVURJKSA-N 2 0 347.507 1.886 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cc(C3CC3)no2)C(C)(C)C1 ZINC000995554324 703969085 /nfs/dbraw/zinc/96/90/85/703969085.db2.gz WBILNSNZLJIBBL-IRXDYDNUSA-N 2 0 346.475 1.973 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nncn3C)C2)C1 ZINC000999291183 706786590 /nfs/dbraw/zinc/78/65/90/706786590.db2.gz POFIVQTWRLIEPJ-FHERZECASA-N 2 0 348.495 1.016 20 0 EDADRP OC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC2(CC1)OCCO2 ZINC000922619742 704155634 /nfs/dbraw/zinc/15/56/34/704155634.db2.gz IKAMWWYPMKTKNB-UHFFFAOYSA-N 2 0 344.415 1.405 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033084987 704156050 /nfs/dbraw/zinc/15/60/50/704156050.db2.gz MRWOWGSAYOPAPI-INIZCTEOSA-N 2 0 333.480 1.391 20 0 EDADRP Cc1noc(C)c1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091553 704166723 /nfs/dbraw/zinc/16/67/23/704166723.db2.gz KVFPFDJYOKSGGO-VNQPRFMTSA-N 2 0 334.464 1.664 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2ccon2)CC1 ZINC001004366062 704332801 /nfs/dbraw/zinc/33/28/01/704332801.db2.gz AGNIONISSAYCJZ-QZTJIDSGSA-N 2 0 346.475 1.972 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004459614 704453356 /nfs/dbraw/zinc/45/33/56/704453356.db2.gz VIKHFFIVEKKXMY-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032538423 704588536 /nfs/dbraw/zinc/58/85/36/704588536.db2.gz QMOKFLZLFZEMNB-FHWLQOOXSA-N 2 0 347.503 1.573 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997777392 704677825 /nfs/dbraw/zinc/67/78/25/704677825.db2.gz TVFMPFAFIQNXIE-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cncs3)CC2)CC[N@@H+]1C ZINC000997793165 704699446 /nfs/dbraw/zinc/69/94/46/704699446.db2.gz MVVUUEKMHQOMDB-CZUORRHYSA-N 2 0 336.505 1.812 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000997831993 704749981 /nfs/dbraw/zinc/74/99/81/704749981.db2.gz XAUIABGPMWCPCE-QGZVFWFLSA-N 2 0 333.480 1.089 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000997840167 704756639 /nfs/dbraw/zinc/75/66/39/704756639.db2.gz NJLBKGWYCBXSGY-RDJZCZTQSA-N 2 0 347.507 1.952 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840490 704756834 /nfs/dbraw/zinc/75/68/34/704756834.db2.gz NUQBCDMXYSKRIY-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997868454 704773590 /nfs/dbraw/zinc/77/35/90/704773590.db2.gz USVCYQHJYUHHBK-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1ncsc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946234 704799402 /nfs/dbraw/zinc/79/94/02/704799402.db2.gz VSEYSGRXAGLTRT-ZFWWWQNUSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CCN(Cc2cscn2)C[C@@H]1C ZINC000944946660 704799695 /nfs/dbraw/zinc/79/96/95/704799695.db2.gz YCLKRHJXRIPISD-WFASDCNBSA-N 2 0 333.461 1.675 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)C1 ZINC001032581512 705005480 /nfs/dbraw/zinc/00/54/80/705005480.db2.gz XCXOPSAJKKCADI-QYZOEREBSA-N 2 0 349.519 1.820 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000998047515 705243418 /nfs/dbraw/zinc/24/34/18/705243418.db2.gz PMIOOJDIKHAVFP-GOSISDBHSA-N 2 0 349.523 1.817 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)co1 ZINC000998076671 705296182 /nfs/dbraw/zinc/29/61/82/705296182.db2.gz CCTYVBLPTJUTFT-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1ncccn1 ZINC000998080930 705300324 /nfs/dbraw/zinc/30/03/24/705300324.db2.gz GANDZROZJOGLGV-HZPDHXFCSA-N 2 0 345.491 1.708 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC000998080846 705300782 /nfs/dbraw/zinc/30/07/82/705300782.db2.gz DRVFPKDNQQWYGY-ZIAGYGMSSA-N 2 0 348.495 1.344 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000998083012 705310957 /nfs/dbraw/zinc/31/09/57/705310957.db2.gz SOYRFKCTIRKNLL-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000998083754 705313111 /nfs/dbraw/zinc/31/31/11/705313111.db2.gz XSHSNCDPVQVJCR-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998217779 705540215 /nfs/dbraw/zinc/54/02/15/705540215.db2.gz STBBIVJLAKEYMU-QGZVFWFLSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1ncccn1 ZINC000998221650 705547241 /nfs/dbraw/zinc/54/72/41/705547241.db2.gz FGYZIFJXGIIECC-OAHLLOKOSA-N 2 0 343.475 1.462 20 0 EDADRP Cc1csc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998224336 705553010 /nfs/dbraw/zinc/55/30/10/705553010.db2.gz ZPTJBXDBWSJFAA-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267262 705641673 /nfs/dbraw/zinc/64/16/73/705641673.db2.gz VMEWSCCHXCIANZ-GDBMZVCRSA-N 2 0 334.464 1.824 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998286171 705681827 /nfs/dbraw/zinc/68/18/27/705681827.db2.gz HDVLAIPJWQFHAI-GASCZTMLSA-N 2 0 334.464 1.876 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998723977 706155833 /nfs/dbraw/zinc/15/58/33/706155833.db2.gz SXUNJMSRCNTVIQ-ZBFHGGJFSA-N 2 0 336.505 1.935 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998735031 706168907 /nfs/dbraw/zinc/16/89/07/706168907.db2.gz YKQNBFBTVJTVPO-QZTJIDSGSA-N 2 0 347.507 1.947 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCF)[C@@H](c2ccccc2)C1 ZINC001032640419 706185090 /nfs/dbraw/zinc/18/50/90/706185090.db2.gz IVDZATAWGNPGDL-OKYOBFRVSA-N 2 0 345.462 1.977 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2ccccn2)C1 ZINC000998781331 706222649 /nfs/dbraw/zinc/22/26/49/706222649.db2.gz VXAMJCPNDGFDGW-ABHNRTSZSA-N 2 0 328.460 1.502 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998902654 706339683 /nfs/dbraw/zinc/33/96/83/706339683.db2.gz WMKNCYDPRVVEOU-ADKAHSJRSA-N 2 0 347.507 1.725 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)on1 ZINC000998995466 706412985 /nfs/dbraw/zinc/41/29/85/706412985.db2.gz SUFSUVYBYQLEFA-SSDMNJCBSA-N 2 0 336.436 1.247 20 0 EDADRP COc1ccncc1CC(=O)N(C)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000998987963 706419902 /nfs/dbraw/zinc/41/99/02/706419902.db2.gz PWZYPPIIDANQGH-IUDNXUCKSA-N 2 0 333.432 1.248 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999034858 706449675 /nfs/dbraw/zinc/44/96/75/706449675.db2.gz FFIQGSVWWHZDJZ-PREGVCBESA-N 2 0 348.495 1.015 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999036232 706450948 /nfs/dbraw/zinc/45/09/48/706450948.db2.gz QEHKLEYTNUIFQY-ABHNRTSZSA-N 2 0 347.507 1.620 20 0 EDADRP Cc1c(C(=O)N(C)C2CC([NH2+]C[C@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC000999024962 706462132 /nfs/dbraw/zinc/46/21/32/706462132.db2.gz RRKXXIVZZVZPJC-HPUBIQBYSA-N 2 0 342.443 1.872 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999062060 706523783 /nfs/dbraw/zinc/52/37/83/706523783.db2.gz VONVGLAIPDMPIP-OOHWJJMZSA-N 2 0 342.443 1.954 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000999341742 706853447 /nfs/dbraw/zinc/85/34/47/706853447.db2.gz IMFJYXJWROSPEW-UHFFFAOYSA-N 2 0 346.475 1.511 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362250 706875521 /nfs/dbraw/zinc/87/55/21/706875521.db2.gz AJABAFSBNZXSBT-WMZOPIPTSA-N 2 0 346.475 1.511 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)on1 ZINC000999362670 706876560 /nfs/dbraw/zinc/87/65/60/706876560.db2.gz BJFRUEQYXZXVQI-CZUORRHYSA-N 2 0 336.436 1.104 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999366790 706880307 /nfs/dbraw/zinc/88/03/07/706880307.db2.gz CKIOTBFPKNLFFX-GDBMZVCRSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999406858 706916237 /nfs/dbraw/zinc/91/62/37/706916237.db2.gz AMHDNQWIKCSSLW-GRTSSRMGSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999410505 706920311 /nfs/dbraw/zinc/92/03/11/706920311.db2.gz YFLRTMRGTOXBHV-IGEOTXOUSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999507716 707005398 /nfs/dbraw/zinc/00/53/98/707005398.db2.gz DMPQDIIWULJVCJ-NVXWUHKLSA-N 2 0 331.464 1.350 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999510185 707008088 /nfs/dbraw/zinc/00/80/88/707008088.db2.gz VZANOSTXVQPTGZ-UHFFFAOYSA-N 2 0 336.505 1.954 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(CC)c2)C1)[NH+](C)C ZINC000999489263 707025345 /nfs/dbraw/zinc/02/53/45/707025345.db2.gz JUVUGHOAEFLYDR-IAGOWNOFSA-N 2 0 335.496 1.366 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999490091 707026471 /nfs/dbraw/zinc/02/64/71/707026471.db2.gz OOUAAHHGQWLUDU-IRXDYDNUSA-N 2 0 335.492 1.480 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)[NH+](C)C ZINC000999492257 707028661 /nfs/dbraw/zinc/02/86/61/707028661.db2.gz YZFDGLKPQKSHHC-KZNAEPCWSA-N 2 0 333.476 1.641 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999571834 707077568 /nfs/dbraw/zinc/07/75/68/707077568.db2.gz AIAUHNPUJIPKDB-QZTJIDSGSA-N 2 0 347.507 1.584 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572288 707078461 /nfs/dbraw/zinc/07/84/61/707078461.db2.gz CHENYJRFSFCZRU-ZWKOTPCHSA-N 2 0 347.507 1.621 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946697787 707155499 /nfs/dbraw/zinc/15/54/99/707155499.db2.gz YLOFCNHLXNEDPG-CEXWTWQISA-N 2 0 349.519 1.414 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999702619 707233864 /nfs/dbraw/zinc/23/38/64/707233864.db2.gz AMABNMSOFJKJHY-HNNXBMFYSA-N 2 0 338.415 1.462 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999689222 707244469 /nfs/dbraw/zinc/24/44/69/707244469.db2.gz PRVZWCDJROKJQT-AOCRQIFASA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999708315 707300317 /nfs/dbraw/zinc/30/03/17/707300317.db2.gz KYYVRQCKZUZHMU-UHFFFAOYSA-N 2 0 346.475 1.973 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999708555 707300758 /nfs/dbraw/zinc/30/07/58/707300758.db2.gz NAKQPJTYBGKUPO-UHFFFAOYSA-N 2 0 328.460 1.565 20 0 EDADRP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999711751 707307733 /nfs/dbraw/zinc/30/77/33/707307733.db2.gz ZRUOESJQCDIMSK-UHFFFAOYSA-N 2 0 328.460 1.565 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@@H]1CCN(Cc2ccncc2Cl)C1 ZINC001033268325 707309535 /nfs/dbraw/zinc/30/95/35/707309535.db2.gz YZQHCUULILUUBG-OAHLLOKOSA-N 2 0 347.850 1.973 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033276279 707340278 /nfs/dbraw/zinc/34/02/78/707340278.db2.gz BVZYHLGMUDXRGO-ISXWCOSWSA-N 2 0 333.476 1.182 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033294784 707419891 /nfs/dbraw/zinc/41/98/91/707419891.db2.gz FNPMNOJMXQYWPH-MSOLQXFVSA-N 2 0 345.491 1.290 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033197701 707437021 /nfs/dbraw/zinc/43/70/21/707437021.db2.gz JHTIEWMIKSTDMN-QZTJIDSGSA-N 2 0 347.507 1.517 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)o1 ZINC000999829510 707458600 /nfs/dbraw/zinc/45/86/00/707458600.db2.gz IMZIHZFAFWDVRU-NFOMZHRRSA-N 2 0 334.464 1.576 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC000999833662 707465587 /nfs/dbraw/zinc/46/55/87/707465587.db2.gz OUOUPBVJEJDOBF-HSBZDZAISA-N 2 0 334.468 1.103 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999874834 707520890 /nfs/dbraw/zinc/52/08/90/707520890.db2.gz AXGRWWOCZDKMBA-KRWDZBQOSA-N 2 0 347.507 1.858 20 0 EDADRP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004873686 707535797 /nfs/dbraw/zinc/53/57/97/707535797.db2.gz BFCVGODSYGGBCH-QAPCUYQASA-N 2 0 347.507 1.764 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999986956 707658910 /nfs/dbraw/zinc/65/89/10/707658910.db2.gz LAXNQVXYCZRFBA-IRXDYDNUSA-N 2 0 348.495 1.424 20 0 EDADRP CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992793 707669428 /nfs/dbraw/zinc/66/94/28/707669428.db2.gz QJCVVXLAMIQIOQ-NVXWUHKLSA-N 2 0 348.495 1.139 20 0 EDADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001004980610 707823271 /nfs/dbraw/zinc/82/32/71/707823271.db2.gz ALEVAKDULKBJEK-RDJZCZTQSA-N 2 0 325.497 1.865 20 0 EDADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)on1 ZINC001004984944 707833590 /nfs/dbraw/zinc/83/35/90/707833590.db2.gz ZWNZAEJBAAAPSD-WBVHZDCISA-N 2 0 346.475 1.938 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423999 707841068 /nfs/dbraw/zinc/84/10/68/707841068.db2.gz WHAIMIJWQXRALX-YJBOKZPZSA-N 2 0 333.476 1.318 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033425386 707845142 /nfs/dbraw/zinc/84/51/42/707845142.db2.gz IVALMFXATYHUBJ-IRXDYDNUSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004981902 707860348 /nfs/dbraw/zinc/86/03/48/707860348.db2.gz NVRVGISBINHVIN-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ncoc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009464 707925964 /nfs/dbraw/zinc/92/59/64/707925964.db2.gz NHCZFRHRTPGMMI-UKRRQHHQSA-N 2 0 331.420 1.739 20 0 EDADRP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCCN1CCOCC1 ZINC000073649719 707956997 /nfs/dbraw/zinc/95/69/97/707956997.db2.gz ZGIKBNMBYVLEKT-UHFFFAOYSA-N 2 0 347.503 1.973 20 0 EDADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033505313 707973935 /nfs/dbraw/zinc/97/39/35/707973935.db2.gz QFAKHGDNPPYXKR-PKOBYXMFSA-N 2 0 345.487 1.931 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CNC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001001682296 708179869 /nfs/dbraw/zinc/17/98/69/708179869.db2.gz YMGUHWXCMQHQAI-INIZCTEOSA-N 2 0 347.503 1.613 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001739000 708254191 /nfs/dbraw/zinc/25/41/91/708254191.db2.gz PTNRJPXYPYIFQT-KRWDZBQOSA-N 2 0 325.497 1.319 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583333 708267428 /nfs/dbraw/zinc/26/74/28/708267428.db2.gz SYZNPZUGBHMBCQ-LSDHHAIUSA-N 2 0 336.505 1.826 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594847 708296800 /nfs/dbraw/zinc/29/68/00/708296800.db2.gz RIIMPGIKJOBWKB-HNNXBMFYSA-N 2 0 348.516 1.888 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001001794900 708309718 /nfs/dbraw/zinc/30/97/18/708309718.db2.gz LVUUMVTVPFIXLJ-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033665079 708447379 /nfs/dbraw/zinc/44/73/79/708447379.db2.gz LFSYYMYHBCIBSA-GJZGRUSLSA-N 2 0 336.505 1.744 20 0 EDADRP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665812 708449781 /nfs/dbraw/zinc/44/97/81/708449781.db2.gz RRKIDQSSRBYWTP-GJZGRUSLSA-N 2 0 336.505 1.744 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686727 708501418 /nfs/dbraw/zinc/50/14/18/708501418.db2.gz SLKNFAOLNOZLEM-ZWKOTPCHSA-N 2 0 347.507 1.370 20 0 EDADRP O=C(NCC1CC[NH+](CC[C@@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001002043139 708533304 /nfs/dbraw/zinc/53/33/04/708533304.db2.gz LLNYNHDALHQWAV-QGZVFWFLSA-N 2 0 335.492 1.337 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](C)O)CC1 ZINC001002037880 708558802 /nfs/dbraw/zinc/55/88/02/708558802.db2.gz QZCLOZZWFWYNEP-SJLPKXTDSA-N 2 0 339.524 1.850 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001002159227 708673090 /nfs/dbraw/zinc/67/30/90/708673090.db2.gz PMXVZWKYIBYOPK-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034018143 709235768 /nfs/dbraw/zinc/23/57/68/709235768.db2.gz XNQUEERWKXJCHJ-IRXDYDNUSA-N 2 0 335.492 1.574 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005499047 709275155 /nfs/dbraw/zinc/27/51/55/709275155.db2.gz XHAHGZCOGANXPK-SJORKVTESA-N 2 0 339.524 1.922 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002813035 709420736 /nfs/dbraw/zinc/42/07/36/709420736.db2.gz WGQJXDSBHXELCT-SJLPKXTDSA-N 2 0 345.491 1.338 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002835646 709447510 /nfs/dbraw/zinc/44/75/10/709447510.db2.gz ZEULLHLIHJIABF-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257526 709641988 /nfs/dbraw/zinc/64/19/88/709641988.db2.gz KIARMJLJOOGJJI-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431923 710000032 /nfs/dbraw/zinc/00/00/32/710000032.db2.gz QKYLENVJXPHPEY-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490682 710109293 /nfs/dbraw/zinc/10/92/93/710109293.db2.gz MQIUJFOCWCUYSI-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490822 710110313 /nfs/dbraw/zinc/11/03/13/710110313.db2.gz NZGXAKXOBMRFFV-HOTGVXAUSA-N 2 0 334.464 1.796 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC001034491782 710112551 /nfs/dbraw/zinc/11/25/51/710112551.db2.gz XEJZBHJMISUMQT-HNNXBMFYSA-N 2 0 348.516 1.752 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003220965 710139553 /nfs/dbraw/zinc/13/95/53/710139553.db2.gz GZEXSRUBTJNEEC-ZDUSSCGKSA-N 2 0 330.432 1.872 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCOc3ccccc3)C2)C1 ZINC001034526025 710177832 /nfs/dbraw/zinc/17/78/32/710177832.db2.gz RUVDPLPARJBPBL-MSOLQXFVSA-N 2 0 345.487 1.988 20 0 EDADRP CCOC1CC(C[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529407 710183859 /nfs/dbraw/zinc/18/38/59/710183859.db2.gz ZOMIPISDMCMZDH-LXPRWKDFSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034610706 710284872 /nfs/dbraw/zinc/28/48/72/710284872.db2.gz ZJKFHJLYDRHGLG-BZSNNMDCSA-N 2 0 337.508 1.914 20 0 EDADRP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034613357 710288353 /nfs/dbraw/zinc/28/83/53/710288353.db2.gz ZXJDMKMVEFEZCA-BZUAXINKSA-N 2 0 348.495 1.470 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034646166 710322307 /nfs/dbraw/zinc/32/23/07/710322307.db2.gz DDQXOBIPUUHNTM-XSLAGTTESA-N 2 0 337.508 1.913 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648730 710325368 /nfs/dbraw/zinc/32/53/68/710325368.db2.gz NHWSGQPRDAUHPF-KZNAEPCWSA-N 2 0 346.475 1.842 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001003492785 710375334 /nfs/dbraw/zinc/37/53/34/710375334.db2.gz OLXQOVOSQISCKV-BQFCYCMXSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1COCCN1C1CCCC1 ZINC001003493022 710375523 /nfs/dbraw/zinc/37/55/23/710375523.db2.gz KANGFJRSRJIOLK-KRWDZBQOSA-N 2 0 341.471 1.570 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003625534 710454829 /nfs/dbraw/zinc/45/48/29/710454829.db2.gz HPCNNFWXACXDND-HNNXBMFYSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003627981 710457945 /nfs/dbraw/zinc/45/79/45/710457945.db2.gz LBPGMKOFLVRTBF-UKRRQHHQSA-N 2 0 345.434 1.476 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003630694 710460021 /nfs/dbraw/zinc/46/00/21/710460021.db2.gz NAUYASAKCIXKBL-LRDDRELGSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001003631071 710460191 /nfs/dbraw/zinc/46/01/91/710460191.db2.gz QSKCZBAGQBQNKN-AWEZNQCLSA-N 2 0 336.505 1.608 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(Cc2cnnn2C)CC1 ZINC001003737400 710518655 /nfs/dbraw/zinc/51/86/55/710518655.db2.gz LYVJVGPBXZUROD-KRWDZBQOSA-N 2 0 348.495 1.159 20 0 EDADRP COC[C@H](C)[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001005578944 710620989 /nfs/dbraw/zinc/62/09/89/710620989.db2.gz IIHSXMNVPZZUNC-INIZCTEOSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)OC ZINC001005592395 710639449 /nfs/dbraw/zinc/63/94/49/710639449.db2.gz LOYLDXRQHMZART-IRXDYDNUSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034722369 710889250 /nfs/dbraw/zinc/88/92/50/710889250.db2.gz XKRSIOKZBKASED-WKILWMFISA-N 2 0 334.464 1.842 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001034732631 710910599 /nfs/dbraw/zinc/91/05/99/710910599.db2.gz FSMYOTMMDFYEJS-YRBFXIGRSA-N 2 0 343.487 1.597 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H](NCc2csnn2)CC1 ZINC001034735334 710920434 /nfs/dbraw/zinc/92/04/34/710920434.db2.gz FOIDIAXHKVEKLW-IHRRRGAJSA-N 2 0 337.493 1.539 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001034777270 711055786 /nfs/dbraw/zinc/05/57/86/711055786.db2.gz GYGRZOGSCBGXJH-BPLDGKMQSA-N 2 0 347.463 1.552 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034792716 711121164 /nfs/dbraw/zinc/12/11/64/711121164.db2.gz MGMBRZOWASOBOD-FAAHXZRKSA-N 2 0 335.452 1.408 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034796580 711128649 /nfs/dbraw/zinc/12/86/49/711128649.db2.gz JSSQMDTXRDCSQX-KLHDSHLOSA-N 2 0 348.495 1.205 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003968101 711139121 /nfs/dbraw/zinc/13/91/21/711139121.db2.gz QRKAUMQRCHXNCH-HNNXBMFYSA-N 2 0 334.464 1.714 20 0 EDADRP CCn1ccnc1CN1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968710 711144405 /nfs/dbraw/zinc/14/44/05/711144405.db2.gz SZSZFLIQVVUICK-OAHLLOKOSA-N 2 0 333.480 1.325 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3ccccn3)cc2)C1 ZINC001034831745 711237994 /nfs/dbraw/zinc/23/79/94/711237994.db2.gz XDLQAEXBQPEFEB-SFHVURJKSA-N 2 0 338.455 1.939 20 0 EDADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005741548 711315751 /nfs/dbraw/zinc/31/57/51/711315751.db2.gz MMBCZIGBZSCFMM-IPCDKGFNSA-N 2 0 347.503 1.739 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(C)cn1 ZINC001034953839 711419372 /nfs/dbraw/zinc/41/93/72/711419372.db2.gz KADHNJGXLZEXAJ-MSOLQXFVSA-N 2 0 345.491 1.740 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)no1 ZINC001034954850 711421724 /nfs/dbraw/zinc/42/17/24/711421724.db2.gz WBWFXYQHSXZBTC-NVXWUHKLSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)nn1C ZINC001034957420 711428859 /nfs/dbraw/zinc/42/88/59/711428859.db2.gz SYSJNJVHWROORT-MRXNPFEDSA-N 2 0 333.480 1.293 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)ncn1 ZINC001034937029 711437552 /nfs/dbraw/zinc/43/75/52/711437552.db2.gz ZJSSTTQDQKLSQN-QZTJIDSGSA-N 2 0 345.491 1.738 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034937020 711437681 /nfs/dbraw/zinc/43/76/81/711437681.db2.gz ZDNWXCYCDXOCIY-SJORKVTESA-N 2 0 333.480 1.374 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1F ZINC001004145918 711555886 /nfs/dbraw/zinc/55/58/86/711555886.db2.gz WRWPGBIFQFZBAG-OAHLLOKOSA-N 2 0 349.450 1.867 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1)C1CCCC1 ZINC001004147919 711560378 /nfs/dbraw/zinc/56/03/78/711560378.db2.gz OARGJBJBZLZYKD-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001004149926 711564503 /nfs/dbraw/zinc/56/45/03/711564503.db2.gz NXEFDPKAHGPWSH-CQSZACIVSA-N 2 0 334.464 1.578 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001004472244 711848833 /nfs/dbraw/zinc/84/88/33/711848833.db2.gz FQUIJUKNZGSCPQ-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004474973 711851772 /nfs/dbraw/zinc/85/17/72/711851772.db2.gz QGBPNXDYKRZBBO-SJORKVTESA-N 2 0 349.479 1.613 20 0 EDADRP O=C(N1CCC([C@@H]2CCC[N@H+]2CCO)CC1)C12CCC[NH+]1CCC2 ZINC001004478624 711859013 /nfs/dbraw/zinc/85/90/13/711859013.db2.gz XDXVYICETIBYRX-KRWDZBQOSA-N 2 0 335.492 1.310 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCOC)C[C@H]2CC1 ZINC000946614988 711862925 /nfs/dbraw/zinc/86/29/25/711862925.db2.gz HWUHBIXFFSEGPU-KSZLIROESA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523454 711924114 /nfs/dbraw/zinc/92/41/14/711924114.db2.gz QVXNFGLJJUKINI-CRAIPNDOSA-N 2 0 337.508 1.412 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033144008 711959610 /nfs/dbraw/zinc/95/96/10/711959610.db2.gz PKPVASMMBQWAJI-QZTJIDSGSA-N 2 0 347.507 1.394 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048553 282131974 /nfs/dbraw/zinc/13/19/74/282131974.db2.gz WEAMGSVRNUVEMC-KURKYZTESA-N 2 0 346.475 1.452 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)COCC(F)(F)F ZINC000367925466 282215417 /nfs/dbraw/zinc/21/54/17/282215417.db2.gz LUMKUDJGVVMMCK-RQJABVFESA-N 2 0 340.386 1.110 20 0 EDADRP COC(=O)c1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000559972518 306260062 /nfs/dbraw/zinc/26/00/62/306260062.db2.gz RZVDIEDLXOHNHI-UHFFFAOYSA-N 2 0 347.459 1.803 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(Cl)cn1 ZINC000178730512 232420705 /nfs/dbraw/zinc/42/07/05/232420705.db2.gz NVQDZNYHGHCXBV-UHFFFAOYSA-N 2 0 327.860 1.476 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000561176989 306283840 /nfs/dbraw/zinc/28/38/40/306283840.db2.gz HHSCVKBFSQHNFO-XIRDDKMYSA-N 2 0 334.464 1.312 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333893776 539658947 /nfs/dbraw/zinc/65/89/47/539658947.db2.gz XTASRXURPWYHAO-LAVFITLUSA-N 2 0 337.508 1.900 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000342975697 539767768 /nfs/dbraw/zinc/76/77/68/539767768.db2.gz JEAAMMMRWATVNX-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000343018152 539776652 /nfs/dbraw/zinc/77/66/52/539776652.db2.gz VRHGIECXXRLNNV-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP COCCN(C)C[C@H](O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441643 306298622 /nfs/dbraw/zinc/29/86/22/306298622.db2.gz CNCICXTXLKKBJH-OALUTQOASA-N 2 0 335.492 1.526 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2(C)COC2)CC1 ZINC000441193409 305218665 /nfs/dbraw/zinc/21/86/65/305218665.db2.gz ADXDVUOTIAITIO-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751373 306307880 /nfs/dbraw/zinc/30/78/80/306307880.db2.gz OIXBBMYBJNNHSM-QZTJIDSGSA-N 2 0 344.459 1.415 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000562998804 306315156 /nfs/dbraw/zinc/31/51/56/306315156.db2.gz QLUTYJORMCXGII-XVLXNVKGSA-N 2 0 348.487 1.830 20 0 EDADRP Cn1cncc1C[NH2+][C@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000290477657 540089622 /nfs/dbraw/zinc/08/96/22/540089622.db2.gz BBPFDPYEDKHZNC-CYBMUJFWSA-N 2 0 326.322 1.625 20 0 EDADRP Cn1cncc1CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000290650098 540090063 /nfs/dbraw/zinc/09/00/63/540090063.db2.gz IRCJBLOZZUVOFB-UHFFFAOYSA-N 2 0 327.432 1.668 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376320494 291061521 /nfs/dbraw/zinc/06/15/21/291061521.db2.gz HRHPFOZIZXLISJ-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+]1CCN(CCNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000413072880 304056095 /nfs/dbraw/zinc/05/60/95/304056095.db2.gz LUYCHUUWYBEZBD-UHFFFAOYSA-N 2 0 344.503 1.650 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccc(Cl)cc1 ZINC000563529930 306337361 /nfs/dbraw/zinc/33/73/61/306337361.db2.gz LJKFIRAPYOVTEY-ZBFHGGJFSA-N 2 0 341.883 1.305 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563563010 306339148 /nfs/dbraw/zinc/33/91/48/306339148.db2.gz FRXFFXLVEZUYSX-IAGOWNOFSA-N 2 0 333.480 1.012 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914265 138280906 /nfs/dbraw/zinc/28/09/06/138280906.db2.gz XWKXQSXEIBCOOO-XIHRTOKZSA-N 2 0 331.504 1.940 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000563588217 306340105 /nfs/dbraw/zinc/34/01/05/306340105.db2.gz ONYUWGHSYJPFLH-QGZVFWFLSA-N 2 0 340.512 1.504 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000340262444 283218418 /nfs/dbraw/zinc/21/84/18/283218418.db2.gz DBHCEGRSUQEBMS-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000186999929 236091320 /nfs/dbraw/zinc/09/13/20/236091320.db2.gz UYTYPCGQCCDRGJ-GOSISDBHSA-N 2 0 348.491 1.181 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000563945052 306352855 /nfs/dbraw/zinc/35/28/55/306352855.db2.gz MHDACUSZVCUVGI-WBVHZDCISA-N 2 0 330.476 1.732 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844126 304080400 /nfs/dbraw/zinc/08/04/00/304080400.db2.gz LFSNDQUWGPCYHE-BBWFWOEESA-N 2 0 338.540 1.780 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000564658195 306362558 /nfs/dbraw/zinc/36/25/58/306362558.db2.gz APCPRDDHFVHLJZ-UHFFFAOYSA-N 2 0 348.535 1.284 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000173951207 237271588 /nfs/dbraw/zinc/27/15/88/237271588.db2.gz LZBJGNKPGDESMI-INIZCTEOSA-N 2 0 348.495 1.831 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000564905818 306369142 /nfs/dbraw/zinc/36/91/42/306369142.db2.gz CPXGYGACZFYLPN-NVXWUHKLSA-N 2 0 345.491 1.357 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000565097782 306375477 /nfs/dbraw/zinc/37/54/77/306375477.db2.gz HBWILYCULGXOCN-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000261966120 283619910 /nfs/dbraw/zinc/61/99/10/283619910.db2.gz YLOFJUMRWJLGKH-GOSISDBHSA-N 2 0 331.460 1.127 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000565529487 306386173 /nfs/dbraw/zinc/38/61/73/306386173.db2.gz NXKWCIXHEXKTTP-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000073331811 216378273 /nfs/dbraw/zinc/37/82/73/216378273.db2.gz FRXLNTMCLRCTCS-INIZCTEOSA-N 2 0 345.491 1.193 20 0 EDADRP CCOc1ccccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414478396 304117919 /nfs/dbraw/zinc/11/79/19/304117919.db2.gz DXDUOOKZFDPWAS-UHFFFAOYSA-N 2 0 347.503 1.972 20 0 EDADRP CC[C@H]1C[C@@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000414480674 304118012 /nfs/dbraw/zinc/11/80/12/304118012.db2.gz JGZQLXKJNWWVQN-ROUUACIJSA-N 2 0 339.524 1.578 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000566151284 306400442 /nfs/dbraw/zinc/40/04/42/306400442.db2.gz ONBVXVOHIZNQPE-CZUORRHYSA-N 2 0 339.867 1.957 20 0 EDADRP COC1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000414519343 304121536 /nfs/dbraw/zinc/12/15/36/304121536.db2.gz AXZZUAURAUFRLJ-UHFFFAOYSA-N 2 0 348.487 1.799 20 0 EDADRP COc1ccc([C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000414695618 304128517 /nfs/dbraw/zinc/12/85/17/304128517.db2.gz PGGPZAMRASXIKR-DOTOQJQBSA-N 2 0 331.460 1.682 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000566352573 306410094 /nfs/dbraw/zinc/41/00/94/306410094.db2.gz SGISQFNDWCVEDD-IRXDYDNUSA-N 2 0 338.496 1.135 20 0 EDADRP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414709669 304131229 /nfs/dbraw/zinc/13/12/29/304131229.db2.gz PCVVIYDIVKLKIY-NSHDSACASA-N 2 0 329.366 1.733 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000414728750 304133829 /nfs/dbraw/zinc/13/38/29/304133829.db2.gz OXJGOJHQHYLADW-HZPDHXFCSA-N 2 0 345.491 1.996 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000414784003 304140621 /nfs/dbraw/zinc/14/06/21/304140621.db2.gz KDACDAZIVFMLKT-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP CCOc1cc(C[NH2+]CC[C@H](C)[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000414818386 304144859 /nfs/dbraw/zinc/14/48/59/304144859.db2.gz DXAUAHSFKTXPDP-UONOGXRCSA-N 2 0 337.464 1.768 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000414989158 304148207 /nfs/dbraw/zinc/14/82/07/304148207.db2.gz QDGIFMZCLXYVRC-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP FC(F)(F)[C@@H](CNCc1ncc(Cl)s1)N1CC[NH2+]CC1 ZINC000414996682 304149419 /nfs/dbraw/zinc/14/94/19/304149419.db2.gz XOZJHNQAQICJIB-MRVPVSSYSA-N 2 0 328.791 1.722 20 0 EDADRP Fc1ccc(CC[NH+]2CCC(NC[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415046255 304154135 /nfs/dbraw/zinc/15/41/35/304154135.db2.gz UTOXOOOSKPTNMB-LJQANCHMSA-N 2 0 335.467 1.801 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000415075474 304157816 /nfs/dbraw/zinc/15/78/16/304157816.db2.gz BNNRHNDCMNIWFF-HZPDHXFCSA-N 2 0 341.459 1.720 20 0 EDADRP COCCOc1cc2c(cc1CN1CC[C@H](C)[C@H](C[NH3+])C1)OCO2 ZINC000415127338 304162211 /nfs/dbraw/zinc/16/22/11/304162211.db2.gz MTSYFHCZRJMXKX-DZGCQCFKSA-N 2 0 336.432 1.857 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000195128077 139007485 /nfs/dbraw/zinc/00/74/85/139007485.db2.gz MAAKSDVUSJKEDQ-AEFFLSMTSA-N 2 0 331.460 1.948 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000236608231 139026911 /nfs/dbraw/zinc/02/69/11/139026911.db2.gz SAUYGQNWCKITHB-UHFFFAOYSA-N 2 0 348.495 1.397 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236922819 139035288 /nfs/dbraw/zinc/03/52/88/139035288.db2.gz OCBFLSFBFKTBGX-ZDUSSCGKSA-N 2 0 337.493 1.574 20 0 EDADRP CCCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000236859107 139033608 /nfs/dbraw/zinc/03/36/08/139033608.db2.gz OREOIXLNCPQFQL-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CCC[NH2+]C)c1 ZINC000236866856 139033756 /nfs/dbraw/zinc/03/37/56/139033756.db2.gz VMDRKQLKASYNEG-UHFFFAOYSA-N 2 0 334.464 1.696 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC2CC[NH+](C3CC3)CC2)ccn1 ZINC000136219431 223635727 /nfs/dbraw/zinc/63/57/27/223635727.db2.gz CZQBANVCJLKAKL-UHFFFAOYSA-N 2 0 332.448 1.379 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000120761884 284334037 /nfs/dbraw/zinc/33/40/37/284334037.db2.gz YBKYJWDVXNEUJE-UHFFFAOYSA-N 2 0 328.526 1.599 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000237202031 139043948 /nfs/dbraw/zinc/04/39/48/139043948.db2.gz LVWSMAVAOGTEBO-IBGZPJMESA-N 2 0 341.455 1.813 20 0 EDADRP C[NH2+]CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000237309776 139047488 /nfs/dbraw/zinc/04/74/88/139047488.db2.gz VYYNMWGELJPLKR-UHFFFAOYSA-N 2 0 339.443 1.562 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000237431790 139051076 /nfs/dbraw/zinc/05/10/76/139051076.db2.gz RTMFWMMBEJMQRQ-ROUUACIJSA-N 2 0 344.503 1.785 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCCC[C@H]1C ZINC000111413550 220152967 /nfs/dbraw/zinc/15/29/67/220152967.db2.gz DJDSUCJOSVBJCP-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000237858512 139062121 /nfs/dbraw/zinc/06/21/21/139062121.db2.gz RFAFRLUDADVQRY-AEFFLSMTSA-N 2 0 349.500 1.401 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000237945360 139064679 /nfs/dbraw/zinc/06/46/79/139064679.db2.gz BSUUPFRJABLFBM-HUUCEWRRSA-N 2 0 325.522 1.982 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237991011 139065940 /nfs/dbraw/zinc/06/59/40/139065940.db2.gz OKPFAUJRNMAOQZ-KXBFYZLASA-N 2 0 343.471 1.318 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000567611830 306456888 /nfs/dbraw/zinc/45/68/88/306456888.db2.gz OJXQZEJSWHWRPG-SFHVURJKSA-N 2 0 347.459 1.900 20 0 EDADRP [NH3+][C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)c1ccccc1 ZINC000238024947 139066772 /nfs/dbraw/zinc/06/67/72/139066772.db2.gz WNYXCMXPUXJKLH-IBGZPJMESA-N 2 0 339.439 1.835 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)ccc21 ZINC000415271732 304182289 /nfs/dbraw/zinc/18/22/89/304182289.db2.gz OQOWHEKOVIKXIG-CZUORRHYSA-N 2 0 330.432 1.124 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000246700929 139117791 /nfs/dbraw/zinc/11/77/91/139117791.db2.gz CULKCTTVDZGBCX-DLBZAZTESA-N 2 0 344.459 1.543 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[NH2+]CC2)cc1 ZINC000415312427 304191784 /nfs/dbraw/zinc/19/17/84/304191784.db2.gz SQRUWXRVWFKLDY-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568213132 306475988 /nfs/dbraw/zinc/47/59/88/306475988.db2.gz SZYZNYJTKLFWPO-UHFFFAOYSA-N 2 0 335.496 1.783 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000415362224 304204305 /nfs/dbraw/zinc/20/43/05/304204305.db2.gz PLUATUJSPDZGKA-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377740754 296268611 /nfs/dbraw/zinc/26/86/11/296268611.db2.gz DNZVEBWLOFKIRI-JKSUJKDBSA-N 2 0 331.464 1.269 20 0 EDADRP CC(C)(C[NH3+])NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415385673 304210955 /nfs/dbraw/zinc/21/09/55/304210955.db2.gz VYUVZZUAVXRRDW-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000248447733 139164331 /nfs/dbraw/zinc/16/43/31/139164331.db2.gz NPEBEMAZSGCSRN-IAGOWNOFSA-N 2 0 343.537 1.797 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)(N2CCOCC2)C1 ZINC000248887210 139179331 /nfs/dbraw/zinc/17/93/31/139179331.db2.gz MMKYNIWGNKBZOP-STJITEESSA-N 2 0 339.524 1.575 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000410898308 250398749 /nfs/dbraw/zinc/39/87/49/250398749.db2.gz HFXFWPGSJTTWET-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CC[N@H+](C)C1CC1)C(C)C ZINC000410778320 250375138 /nfs/dbraw/zinc/37/51/38/250375138.db2.gz YHRLFFKDBPSRSZ-UHFFFAOYSA-N 2 0 340.512 1.116 20 0 EDADRP Cc1cc(N2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2=O)n(C)n1 ZINC000252734441 139205271 /nfs/dbraw/zinc/20/52/71/139205271.db2.gz MSSTYGFEXPOJFX-PMPSAXMXSA-N 2 0 331.464 1.440 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000261536591 139208644 /nfs/dbraw/zinc/20/86/44/139208644.db2.gz PLBCLBYLAJNUBC-INIZCTEOSA-N 2 0 330.476 1.061 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000261610716 139210770 /nfs/dbraw/zinc/21/07/70/139210770.db2.gz DOERIUXPSANOPF-SFHVURJKSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670801 139215996 /nfs/dbraw/zinc/21/59/96/139215996.db2.gz BUUQEXIKGFMCFQ-DOTOQJQBSA-N 2 0 331.460 1.664 20 0 EDADRP COc1ccccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261723684 139220745 /nfs/dbraw/zinc/22/07/45/139220745.db2.gz RADBFPPXDDTNQY-RDJZCZTQSA-N 2 0 331.460 1.775 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CCOc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000261765936 139224228 /nfs/dbraw/zinc/22/42/28/139224228.db2.gz WIAXYSRVKOQSGB-FUHWJXTLSA-N 2 0 331.460 1.646 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261863077 139232235 /nfs/dbraw/zinc/23/22/35/139232235.db2.gz PWHKOVPJLUOOPQ-KZNAEPCWSA-N 2 0 336.524 1.393 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)c1ccccc1Cl ZINC000188031616 284822369 /nfs/dbraw/zinc/82/23/69/284822369.db2.gz KCVBOMCEUKGIPU-HZPDHXFCSA-N 2 0 339.867 1.828 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000569259239 306501549 /nfs/dbraw/zinc/50/15/49/306501549.db2.gz WWICZUYHRRZDFN-NEPJUHHUSA-N 2 0 349.859 1.617 20 0 EDADRP COc1cc(CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000262139635 139254436 /nfs/dbraw/zinc/25/44/36/139254436.db2.gz ZATHXKMYCKRVTI-IBGZPJMESA-N 2 0 333.476 1.821 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000262135119 139253985 /nfs/dbraw/zinc/25/39/85/139253985.db2.gz GTXAKUILFRWITP-AWEZNQCLSA-N 2 0 337.489 1.757 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262160156 139256228 /nfs/dbraw/zinc/25/62/28/139256228.db2.gz SKFCMJFICRYVMR-SFHVURJKSA-N 2 0 325.460 1.865 20 0 EDADRP CSC1(C[NH2+][C@H](C(N)=O)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000357282644 295583126 /nfs/dbraw/zinc/58/31/26/295583126.db2.gz JUBYQADHPDKATJ-AWEZNQCLSA-N 2 0 325.453 1.769 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)C1 ZINC000416875149 251116127 /nfs/dbraw/zinc/11/61/27/251116127.db2.gz UXGKWCSYRGXHPS-SJORKVTESA-N 2 0 340.512 1.550 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000416881048 251117914 /nfs/dbraw/zinc/11/79/14/251117914.db2.gz ZEEPZCRVHJHOQU-UHFFFAOYSA-N 2 0 347.507 1.983 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000416989906 251118805 /nfs/dbraw/zinc/11/88/05/251118805.db2.gz MQACHESGXJOLET-MRXNPFEDSA-N 2 0 334.464 1.650 20 0 EDADRP CC(C)([NH3+])CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417022200 251136816 /nfs/dbraw/zinc/13/68/16/251136816.db2.gz OBFKXYXRGSRSHP-UHFFFAOYSA-N 2 0 347.507 1.231 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)Cc1ccccc1 ZINC000416997526 251123317 /nfs/dbraw/zinc/12/33/17/251123317.db2.gz AJOOUTRGDYBEJJ-SZMVWBNQSA-N 2 0 332.492 1.928 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262311567 139269075 /nfs/dbraw/zinc/26/90/75/139269075.db2.gz SSDTYMAMOFDWCX-MSOLQXFVSA-N 2 0 344.503 1.832 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417087393 251140424 /nfs/dbraw/zinc/14/04/24/251140424.db2.gz ZYNVJAWNGPNNJC-ROUUACIJSA-N 2 0 330.476 1.826 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000417309046 251153956 /nfs/dbraw/zinc/15/39/56/251153956.db2.gz DDFJMPNLMOJKDB-IPELMVKDSA-N 2 0 342.487 1.969 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccco1 ZINC000417313143 251156084 /nfs/dbraw/zinc/15/60/84/251156084.db2.gz OVECHNLCAQLHQW-GJZGRUSLSA-N 2 0 338.452 1.340 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000262341107 139271515 /nfs/dbraw/zinc/27/15/15/139271515.db2.gz HWDFZWOGNRUWIV-WMLDXEAASA-N 2 0 331.460 1.804 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000262342510 139271606 /nfs/dbraw/zinc/27/16/06/139271606.db2.gz IAVSZWXORVHZMT-ZWKOTPCHSA-N 2 0 331.460 1.627 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417574610 251193363 /nfs/dbraw/zinc/19/33/63/251193363.db2.gz ZNTPNVYBIDQQHH-AEFFLSMTSA-N 2 0 346.475 1.283 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417634261 251210859 /nfs/dbraw/zinc/21/08/59/251210859.db2.gz VHRCXGMMIKWLFR-BPUTZDHNSA-N 2 0 334.464 1.090 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617551 251207108 /nfs/dbraw/zinc/20/71/08/251207108.db2.gz CBLOWGLAIGNIHR-DOTOQJQBSA-N 2 0 348.491 1.794 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417632800 251210642 /nfs/dbraw/zinc/21/06/42/251210642.db2.gz XFHTUPPCDQKWFF-UHFFFAOYSA-N 2 0 328.526 1.775 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000417694710 251231196 /nfs/dbraw/zinc/23/11/96/251231196.db2.gz SQBSVVFVWSOBHC-QAPCUYQASA-N 2 0 346.475 1.581 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417670614 251223195 /nfs/dbraw/zinc/22/31/95/251223195.db2.gz OMXLUVSPYBBFMB-BZUAXINKSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417723853 251243338 /nfs/dbraw/zinc/24/33/38/251243338.db2.gz CSOMRMGVYMHHGW-SJORKVTESA-N 2 0 345.491 1.200 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)Cc2ccccc2C1 ZINC000417730626 251246357 /nfs/dbraw/zinc/24/63/57/251246357.db2.gz DNZHFLMUWVSJGS-QZTJIDSGSA-N 2 0 342.487 1.337 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000417754678 251256487 /nfs/dbraw/zinc/25/64/87/251256487.db2.gz VUJHBGXGAIWMBZ-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000417825721 251286124 /nfs/dbraw/zinc/28/61/24/251286124.db2.gz NJVDLUZCEBZRLC-HOTGVXAUSA-N 2 0 334.439 1.508 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417841126 251294157 /nfs/dbraw/zinc/29/41/57/251294157.db2.gz SMQPYPXOMHJVGD-WMLDXEAASA-N 2 0 341.459 1.869 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000418110491 251325535 /nfs/dbraw/zinc/32/55/35/251325535.db2.gz FESZAZMDZKPUBA-PMPSAXMXSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000417851424 251297566 /nfs/dbraw/zinc/29/75/66/251297566.db2.gz YPKAPOHGYBPZGL-KANFNMMFSA-N 2 0 342.487 1.900 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418445809 251372399 /nfs/dbraw/zinc/37/23/99/251372399.db2.gz YIDNUQSHHCVULF-DLBZAZTESA-N 2 0 348.491 1.957 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418304920 251358614 /nfs/dbraw/zinc/35/86/14/251358614.db2.gz HEXPYAMERJBCNE-MRXNPFEDSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000418321219 251360509 /nfs/dbraw/zinc/36/05/09/251360509.db2.gz ANJQIPIYLIUQHL-SFHVURJKSA-N 2 0 331.464 1.346 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418345185 251362314 /nfs/dbraw/zinc/36/23/14/251362314.db2.gz LFLURJNCDQMBCL-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC2([NH3+])CCC2)c1 ZINC000418531415 251376975 /nfs/dbraw/zinc/37/69/75/251376975.db2.gz WWHGYPKPVDEIPH-UHFFFAOYSA-N 2 0 334.464 1.650 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689093 251386702 /nfs/dbraw/zinc/38/67/02/251386702.db2.gz UVWCKTYLLRKHEQ-RYQLBKOJSA-N 2 0 330.476 1.725 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000262625313 139291151 /nfs/dbraw/zinc/29/11/51/139291151.db2.gz BHIFWESWGFXJPT-RDJZCZTQSA-N 2 0 344.459 1.465 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000262653167 139293434 /nfs/dbraw/zinc/29/34/34/139293434.db2.gz SJGYXZKYOKPFGM-QZTJIDSGSA-N 2 0 344.503 1.751 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2csc(CN)n2)CC1 ZINC000262661496 139294316 /nfs/dbraw/zinc/29/43/16/139294316.db2.gz YJZIEAMPNXDNNP-UHFFFAOYSA-N 2 0 345.472 1.996 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000262669016 139294889 /nfs/dbraw/zinc/29/48/89/139294889.db2.gz QSWYEIGAJFACDU-CRAIPNDOSA-N 2 0 332.448 1.592 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CC1 ZINC000569577481 306511629 /nfs/dbraw/zinc/51/16/29/306511629.db2.gz VIJASHYTPDMXLH-UHFFFAOYSA-N 2 0 342.487 1.389 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000422719863 251961333 /nfs/dbraw/zinc/96/13/33/251961333.db2.gz YQJGSZNJRQBJRB-OALUTQOASA-N 2 0 335.492 1.712 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C[C@@H]3COCCN3)cn2)CC1 ZINC000422882538 252009687 /nfs/dbraw/zinc/00/96/87/252009687.db2.gz SNGBLXIUQSVEKU-SJLPKXTDSA-N 2 0 347.507 1.080 20 0 EDADRP C[C@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422852280 252001107 /nfs/dbraw/zinc/00/11/07/252001107.db2.gz XVRBYQABFPLJDV-IRXDYDNUSA-N 2 0 330.476 1.313 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)CC(F)(F)F)CC[NH2+]CC1 ZINC000423010676 252025270 /nfs/dbraw/zinc/02/52/70/252025270.db2.gz HBAZKEZXZGMFBT-MNOVXSKESA-N 2 0 326.359 1.211 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000423070603 252033619 /nfs/dbraw/zinc/03/36/19/252033619.db2.gz GIZMUMAYJBHBNM-CABCVRRESA-N 2 0 331.526 1.699 20 0 EDADRP Cn1cc([C@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423176310 252042516 /nfs/dbraw/zinc/04/25/16/252042516.db2.gz GOYOAGROLFZIKB-GOSISDBHSA-N 2 0 331.439 1.534 20 0 EDADRP [NH3+]CCCn1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nn1 ZINC000423319870 252045290 /nfs/dbraw/zinc/04/52/90/252045290.db2.gz FVVLDCHGKOWUDH-INIZCTEOSA-N 2 0 342.447 1.021 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000423773564 252069441 /nfs/dbraw/zinc/06/94/41/252069441.db2.gz JPNQHOYYKCOEEP-YVWKXTFCSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424020539 252115747 /nfs/dbraw/zinc/11/57/47/252115747.db2.gz PIXBMJZBWUQICQ-OAHLLOKOSA-N 3 0 330.476 1.237 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC([NH2+]CC2CC2)CC1 ZINC000424079611 252126927 /nfs/dbraw/zinc/12/69/27/252126927.db2.gz RJKAUJXHPACANV-CQSZACIVSA-N 2 0 331.464 1.481 20 0 EDADRP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423804887 252082792 /nfs/dbraw/zinc/08/27/92/252082792.db2.gz YSTWFJHWJHUOEW-UYAOXDASSA-N 2 0 349.519 1.727 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220387 252167730 /nfs/dbraw/zinc/16/77/30/252167730.db2.gz DRGHUEDXNLHXBK-INIZCTEOSA-N 2 0 331.464 1.524 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424130329 252133277 /nfs/dbraw/zinc/13/32/77/252133277.db2.gz DZPTVBDJDQQAHM-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C[C@H]2C1 ZINC000424287656 252190089 /nfs/dbraw/zinc/19/00/89/252190089.db2.gz YBDLSRKRQYEDNV-RZFLPCETSA-N 2 0 339.524 1.872 20 0 EDADRP Cc1nn(C)c(C)c1[C@H]1[C@H](C[NH2+][C@@H](C)CCCC[NH3+])CC(=O)N1C ZINC000424381709 252204291 /nfs/dbraw/zinc/20/42/91/252204291.db2.gz ZKTNJJOOGHERJN-XLWVJDPXSA-N 2 0 335.496 1.663 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(N3CCOCC3)s1)CC[NH2+]CC2 ZINC000424389125 252206924 /nfs/dbraw/zinc/20/69/24/252206924.db2.gz ZYXLOIIOUTZVLB-CQSZACIVSA-N 2 0 336.505 1.944 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000424466178 252239864 /nfs/dbraw/zinc/23/98/64/252239864.db2.gz LAGXTZWZWZQHPZ-WMLDXEAASA-N 2 0 344.459 1.477 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])ccn1 ZINC000424468237 252240971 /nfs/dbraw/zinc/24/09/71/252240971.db2.gz XNKYNSSPXOYXTR-HUUCEWRRSA-N 2 0 335.452 1.091 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000111798943 285023864 /nfs/dbraw/zinc/02/38/64/285023864.db2.gz FEYWWFUQIDSAKE-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)nn1 ZINC000569808605 306521269 /nfs/dbraw/zinc/52/12/69/306521269.db2.gz YQDXCSKMYFXIKV-UHFFFAOYSA-N 2 0 349.464 1.193 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000263258047 139331559 /nfs/dbraw/zinc/33/15/59/139331559.db2.gz RNFFNMXNHJXGDM-HNNXBMFYSA-N 2 0 325.840 1.394 20 0 EDADRP COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443060882 285119220 /nfs/dbraw/zinc/11/92/20/285119220.db2.gz PXZKUBRKEDTPOV-INIZCTEOSA-N 2 0 349.475 1.389 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000112437313 220328501 /nfs/dbraw/zinc/32/85/01/220328501.db2.gz ARYXHHJNRHDGBQ-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000263797385 139361201 /nfs/dbraw/zinc/36/12/01/139361201.db2.gz ZOINDOOUDNGHSO-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646489 255015482 /nfs/dbraw/zinc/01/54/82/255015482.db2.gz VOBAZWDZSLQJGI-MRXNPFEDSA-N 2 0 342.528 1.764 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)COC ZINC000341165460 285244348 /nfs/dbraw/zinc/24/43/48/285244348.db2.gz NHDCLZASKYFMFK-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CCOCC1 ZINC000174151791 285243609 /nfs/dbraw/zinc/24/36/09/285243609.db2.gz WGLDPCXHRIYECP-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](OC)C1 ZINC000249015600 285245264 /nfs/dbraw/zinc/24/52/64/285245264.db2.gz JHFLVELHHJSODI-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(/C=C\c1ccc(-n2ccnc2)cc1)NCC[NH+]1CCC(O)CC1 ZINC000493466939 255210192 /nfs/dbraw/zinc/21/01/92/255210192.db2.gz OFWUYTYGRVFBPV-UTCJRWHESA-N 2 0 340.427 1.458 20 0 EDADRP CC(C)(C)OC(=O)N1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000493035384 255189075 /nfs/dbraw/zinc/18/90/75/255189075.db2.gz KPKKIQGRVNGKGD-INIZCTEOSA-N 2 0 341.496 1.680 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000493290303 255202022 /nfs/dbraw/zinc/20/20/22/255202022.db2.gz PNKYJFWMZCDRON-PLNGDYQASA-N 2 0 346.475 1.369 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000495934941 255336031 /nfs/dbraw/zinc/33/60/31/255336031.db2.gz MWSUBAGFLWSGGW-NRXISQOPSA-N 2 0 327.469 1.729 20 0 EDADRP CN(C[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496344205 255384199 /nfs/dbraw/zinc/38/41/99/255384199.db2.gz PUJBXMHEESLQCF-INIZCTEOSA-N 2 0 343.512 1.878 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)NCC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000570425000 306542104 /nfs/dbraw/zinc/54/21/04/306542104.db2.gz LESLQNSRGWQQKE-KRWDZBQOSA-N 2 0 345.491 1.156 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000155126500 224363355 /nfs/dbraw/zinc/36/33/55/224363355.db2.gz CMRRJMVXJLVPFB-HUUCEWRRSA-N 2 0 339.505 1.377 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000417308814 285484863 /nfs/dbraw/zinc/48/48/63/285484863.db2.gz IESAXHUMROBBDH-PKOBYXMFSA-N 2 0 348.491 1.666 20 0 EDADRP COC[C@@](C)(O)C[NH2+][C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000571498162 306567166 /nfs/dbraw/zinc/56/71/66/306567166.db2.gz LFIVVVWGAGPFDD-WMZOPIPTSA-N 2 0 334.460 1.962 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000271174446 140250946 /nfs/dbraw/zinc/25/09/46/140250946.db2.gz XUJHVOVIMVGAAR-INIZCTEOSA-N 2 0 349.475 1.212 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000331323743 141007473 /nfs/dbraw/zinc/00/74/73/141007473.db2.gz FTFOYJQXGBIUHF-BEFAXECRSA-N 2 0 339.524 1.754 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331475831 141035563 /nfs/dbraw/zinc/03/55/63/141035563.db2.gz IUBYKNZCANHEEO-SUMWQHHRSA-N 2 0 337.489 1.509 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)[C@@H](C[NH3+])C1 ZINC000332506445 141192790 /nfs/dbraw/zinc/19/27/90/141192790.db2.gz KOWIKDZWGROVSE-BFYDXBDKSA-N 2 0 338.496 1.256 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)nnn3C)CC1 ZINC000332586372 141208946 /nfs/dbraw/zinc/20/89/46/141208946.db2.gz KEEMUZLDBZEIQN-AWEZNQCLSA-N 2 0 331.464 1.493 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cc2C1 ZINC000333312115 141297272 /nfs/dbraw/zinc/29/72/72/141297272.db2.gz LULRBVLBYSHGCK-WBVHZDCISA-N 2 0 343.475 1.990 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2C1 ZINC000333341048 141302551 /nfs/dbraw/zinc/30/25/51/141302551.db2.gz PRVZNAGPVPOAKN-ZBFHGGJFSA-N 2 0 343.475 1.847 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1[NH3+] ZINC000333570978 141338682 /nfs/dbraw/zinc/33/86/82/141338682.db2.gz MKZOKXMGPDOCDB-WMLDXEAASA-N 2 0 331.464 1.677 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333712253 141363281 /nfs/dbraw/zinc/36/32/81/141363281.db2.gz SMSRFYVRPJQAHF-RDJZCZTQSA-N 2 0 343.537 1.703 20 0 EDADRP COc1cc(OC2CC2)ccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000572335580 306585956 /nfs/dbraw/zinc/58/59/56/306585956.db2.gz BKXUULXKUOOBJM-UHFFFAOYSA-N 2 0 349.475 1.802 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]1CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000340118027 142271425 /nfs/dbraw/zinc/27/14/25/142271425.db2.gz WKAIRFPQJZEKDB-MJGOQNOKSA-N 2 0 344.503 1.832 20 0 EDADRP C[C@@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000340233006 142314714 /nfs/dbraw/zinc/31/47/14/142314714.db2.gz WLGZTFDNQZKVLH-GTPINHCMSA-N 2 0 345.553 1.063 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C ZINC000345916413 143146730 /nfs/dbraw/zinc/14/67/30/143146730.db2.gz IYYYPQOBDRTOCN-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000346387027 143199614 /nfs/dbraw/zinc/19/96/14/143199614.db2.gz ZFIKUKHMTZVQDS-ZACQAIPSSA-N 2 0 341.496 1.101 20 0 EDADRP C[C@@H]1C[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000346695515 143232892 /nfs/dbraw/zinc/23/28/92/143232892.db2.gz CTIRJWRSGPAIDO-KPFFTGBYSA-N 2 0 329.488 1.838 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccc3cccnc32)C1)N1CC[NH2+]CC1 ZINC000347010108 143270892 /nfs/dbraw/zinc/27/08/92/143270892.db2.gz FXGVDFCHHQQOBD-GOSISDBHSA-N 2 0 338.455 1.879 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000347100715 143282805 /nfs/dbraw/zinc/28/28/05/143282805.db2.gz LXNMRRCVBSJKIJ-OAHLLOKOSA-N 2 0 335.423 1.478 20 0 EDADRP Cc1ocnc1CNC(=O)[C@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000347696241 143350790 /nfs/dbraw/zinc/35/07/90/143350790.db2.gz UGUWSUDZUPICQQ-MRXNPFEDSA-N 2 0 339.399 1.414 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[NH+](C)C1 ZINC000348027829 143393167 /nfs/dbraw/zinc/39/31/67/143393167.db2.gz JYPUEHWHMBYMMP-BZUAXINKSA-N 2 0 340.512 1.467 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCCCn2ccnc2C)C1 ZINC000348078854 143398314 /nfs/dbraw/zinc/39/83/14/143398314.db2.gz RPDWJZZOSUKNSD-IAGOWNOFSA-N 2 0 349.479 1.476 20 0 EDADRP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000572832662 306600030 /nfs/dbraw/zinc/60/00/30/306600030.db2.gz VRECDAHJHGHYAP-CQSZACIVSA-N 2 0 327.432 1.263 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573306662 306617649 /nfs/dbraw/zinc/61/76/49/306617649.db2.gz BDUSARLKPJYENG-OAHLLOKOSA-N 2 0 334.464 1.811 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[NH+](C)CC2)[C@@H](C)C1 ZINC000360979323 286058100 /nfs/dbraw/zinc/05/81/00/286058100.db2.gz SUKBVBZASORSNF-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000417669603 286061091 /nfs/dbraw/zinc/06/10/91/286061091.db2.gz MCFIIAXDRALAMV-XHSDSOJGSA-N 2 0 328.501 1.550 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCN2C)[NH+](C)C)cc1 ZINC000416846867 304351742 /nfs/dbraw/zinc/35/17/42/304351742.db2.gz UUKGXLKUZRCDBH-MSOLQXFVSA-N 2 0 347.507 1.055 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cncc(O)c1 ZINC000264901242 149046759 /nfs/dbraw/zinc/04/67/59/149046759.db2.gz XEGYNTVJLIESRL-UHFFFAOYSA-N 2 0 341.415 1.124 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NCC[N@@H+]2CCCOCC2)[NH+](C)C)cc1 ZINC000187046617 292199347 /nfs/dbraw/zinc/19/93/47/292199347.db2.gz ZZHHXPACZOIZQQ-GOSISDBHSA-N 2 0 348.491 1.619 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000573437570 306620987 /nfs/dbraw/zinc/62/09/87/306620987.db2.gz FIXTUZPPWMEYFC-OAHLLOKOSA-N 2 0 336.432 1.477 20 0 EDADRP Cc1ccc(-c2n[nH]cc2CN2CCN([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000352692615 149118350 /nfs/dbraw/zinc/11/83/50/149118350.db2.gz GZODGHSBBVZOJD-GOSISDBHSA-N 2 0 325.460 1.865 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000369908072 155225721 /nfs/dbraw/zinc/22/57/21/155225721.db2.gz JDGSOZAEOOZCII-KGLIPLIRSA-N 2 0 337.468 1.377 20 0 EDADRP CCOc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)n1 ZINC000352973815 149235586 /nfs/dbraw/zinc/23/55/86/149235586.db2.gz CAOOLUUECSRZAE-UHFFFAOYSA-N 2 0 334.464 1.370 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353110271 149290828 /nfs/dbraw/zinc/29/08/28/149290828.db2.gz VPFAEJXJWSEGQI-MRXNPFEDSA-N 2 0 342.528 1.497 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353439032 149407007 /nfs/dbraw/zinc/40/70/07/149407007.db2.gz CYFHCUAXNOTMMW-XIRDDKMYSA-N 2 0 325.497 1.172 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416969860 304357227 /nfs/dbraw/zinc/35/72/27/304357227.db2.gz CXDRGKHTBREAFR-MAUKXSAKSA-N 2 0 345.491 1.863 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000416972527 304358336 /nfs/dbraw/zinc/35/83/36/304358336.db2.gz IPDWEIZKMJALBA-SFHVURJKSA-N 2 0 330.476 1.697 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCCC[NH3+])cc2)C[C@@H](C)O1 ZINC000416972685 304358353 /nfs/dbraw/zinc/35/83/53/304358353.db2.gz SKFCREQUCDULSE-HUUCEWRRSA-N 2 0 334.464 1.444 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)C1 ZINC000416976971 304359175 /nfs/dbraw/zinc/35/91/75/304359175.db2.gz ANICBZNSONDPCX-ZBFHGGJFSA-N 2 0 347.463 1.200 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000416978937 304359935 /nfs/dbraw/zinc/35/99/35/304359935.db2.gz WJZFSSKAAZTRPW-IBGZPJMESA-N 2 0 348.491 1.816 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H](c3ccccc3)N(C)C)[C@H]2C1 ZINC000355378101 150241309 /nfs/dbraw/zinc/24/13/09/150241309.db2.gz ZVFZMKWMEBYIQW-BZSNNMDCSA-N 2 0 331.460 1.611 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCO1 ZINC000417030938 304362786 /nfs/dbraw/zinc/36/27/86/304362786.db2.gz PWRIMKXWUTUFPQ-SFHVURJKSA-N 2 0 346.475 1.194 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000417042331 304365013 /nfs/dbraw/zinc/36/50/13/304365013.db2.gz NRYASKMJZVBZEO-JKSUJKDBSA-N 2 0 333.480 1.104 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2CCNC[C@@](C)(F)C2)C1 ZINC000417040979 304365286 /nfs/dbraw/zinc/36/52/86/304365286.db2.gz VYFSFVPYISEYEM-BFYDXBDKSA-N 2 0 328.476 1.697 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000333698670 292238262 /nfs/dbraw/zinc/23/82/62/292238262.db2.gz QNBVOEBTEORHTM-CVEARBPZSA-N 2 0 338.496 1.034 20 0 EDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000357553899 151065964 /nfs/dbraw/zinc/06/59/64/151065964.db2.gz PTJZFZSTWGCAOE-ZACQAIPSSA-N 2 0 325.497 1.722 20 0 EDADRP CSC1(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357610249 151083785 /nfs/dbraw/zinc/08/37/85/151083785.db2.gz SMFOAZNLUUJOGP-OAHLLOKOSA-N 2 0 342.553 1.845 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000357925450 151198759 /nfs/dbraw/zinc/19/87/59/151198759.db2.gz ICDUCNGPZIKPNX-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000357960639 151211709 /nfs/dbraw/zinc/21/17/09/151211709.db2.gz QOASTKJTFYAPNC-JKSUJKDBSA-N 2 0 327.517 1.042 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000358095131 151267992 /nfs/dbraw/zinc/26/79/92/151267992.db2.gz LYCJUMUSNXARIF-MRXNPFEDSA-N 2 0 340.512 1.637 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)[C@@H](C)C1 ZINC000358153376 151289755 /nfs/dbraw/zinc/28/97/55/151289755.db2.gz IIDAQUANBRFQPQ-WDSOQIARSA-N 2 0 339.524 1.576 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417102664 304372715 /nfs/dbraw/zinc/37/27/15/304372715.db2.gz CMQKETBNDLJUCW-UHFFFAOYSA-N 2 0 342.553 1.974 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2ncnn21 ZINC000359795435 151824804 /nfs/dbraw/zinc/82/48/04/151824804.db2.gz NOJFDNLWUHLTBQ-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC000360400355 152021606 /nfs/dbraw/zinc/02/16/06/152021606.db2.gz ZGHAKUUDZKOHBJ-QGZVFWFLSA-N 2 0 342.553 1.986 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360659577 152142287 /nfs/dbraw/zinc/14/22/87/152142287.db2.gz YXGJLKIKFIJAFP-GOEBONIOSA-N 2 0 328.526 1.597 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000360695234 152156852 /nfs/dbraw/zinc/15/68/52/152156852.db2.gz OGAQPPBYKVMBEQ-UHFFFAOYSA-N 2 0 328.526 1.551 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360742719 152180956 /nfs/dbraw/zinc/18/09/56/152180956.db2.gz AIXOKIGNPYLCBL-HOCLYGCPSA-N 2 0 328.526 1.549 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000360796426 152208787 /nfs/dbraw/zinc/20/87/87/152208787.db2.gz GKMXSDOUTLHIQX-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000249114931 286306761 /nfs/dbraw/zinc/30/67/61/286306761.db2.gz NRFMFJXNFYVENY-HDMKZQKVSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C(=O)NCC[NH+](C)C ZINC000360956244 152263427 /nfs/dbraw/zinc/26/34/27/152263427.db2.gz UHIUQBGFQQIALR-ZDUSSCGKSA-N 2 0 345.438 1.540 20 0 EDADRP Cc1nnc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)n1C1CC1 ZINC000363711583 153036115 /nfs/dbraw/zinc/03/61/15/153036115.db2.gz ZEJCFWBCRJDOOP-IAOVAPTHSA-N 2 0 333.480 1.900 20 0 EDADRP CCCCCNC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363791464 153058106 /nfs/dbraw/zinc/05/81/06/153058106.db2.gz DCGKVMXHEDRDJA-UHFFFAOYSA-N 2 0 338.540 1.642 20 0 EDADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000363807696 153062299 /nfs/dbraw/zinc/06/22/99/153062299.db2.gz YMKZEYFOJLGTKK-IRXDYDNUSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@H](CO)C1)c1ccccc1 ZINC000363827198 153068340 /nfs/dbraw/zinc/06/83/40/153068340.db2.gz RUMSVCFQOOQBPX-WMZOPIPTSA-N 2 0 333.476 1.500 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000364871175 153356835 /nfs/dbraw/zinc/35/68/35/153356835.db2.gz GPTNNWPBMOPFSB-RHSMWYFYSA-N 2 0 335.379 1.236 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000364901028 153364835 /nfs/dbraw/zinc/36/48/35/153364835.db2.gz QVULWVNTPRXTDM-ZCNNSNEGSA-N 2 0 347.503 1.839 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417201575 304384008 /nfs/dbraw/zinc/38/40/08/304384008.db2.gz WQSAQZUJIZLRRS-KBAYOESNSA-N 2 0 332.492 1.928 20 0 EDADRP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000367749993 154255492 /nfs/dbraw/zinc/25/54/92/154255492.db2.gz PAVCYNJNTOCPKY-SFHVURJKSA-N 2 0 343.471 1.924 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000367906710 154320237 /nfs/dbraw/zinc/32/02/37/154320237.db2.gz YXPGABKXORLUSG-BVBHFADKSA-N 2 0 333.476 1.637 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000368711924 154692096 /nfs/dbraw/zinc/69/20/96/154692096.db2.gz JABLWZRHQVPDRS-AWEZNQCLSA-N 2 0 329.404 1.397 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247335441 292335727 /nfs/dbraw/zinc/33/57/27/292335727.db2.gz XELRZGVYWBGALT-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000371839233 156132003 /nfs/dbraw/zinc/13/20/03/156132003.db2.gz REFPUUWWHSXNCA-ZACQAIPSSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372314142 156327036 /nfs/dbraw/zinc/32/70/36/156327036.db2.gz YVQSXBHTLWPRFZ-SJORKVTESA-N 2 0 346.475 1.313 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417532387 304403996 /nfs/dbraw/zinc/40/39/96/304403996.db2.gz VVAJHZZVGFMJHO-CRAIPNDOSA-N 2 0 348.491 1.609 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417549574 304404877 /nfs/dbraw/zinc/40/48/77/304404877.db2.gz TZHREFHUPHTGDR-CABCVRRESA-N 2 0 340.512 1.645 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000374044614 157119990 /nfs/dbraw/zinc/11/99/90/157119990.db2.gz TUKCLDGVOZDMPV-ZWKOTPCHSA-N 2 0 349.519 1.964 20 0 EDADRP CCC[C@H](C(=O)N(C)C1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000374267616 157221474 /nfs/dbraw/zinc/22/14/74/157221474.db2.gz CISNEDGFPWYOIF-QGZVFWFLSA-N 2 0 325.497 1.819 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)O1 ZINC000374602527 157342119 /nfs/dbraw/zinc/34/21/19/157342119.db2.gz KGNVFKRJIYSPLY-KURKYZTESA-N 2 0 331.460 1.316 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCCCC[NH+]2CCCCC2)cn1 ZINC000375402768 157564206 /nfs/dbraw/zinc/56/42/06/157564206.db2.gz SJTYECTYCSMAMZ-MSOLQXFVSA-N 2 0 347.507 1.496 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000376065672 157723455 /nfs/dbraw/zinc/72/34/55/157723455.db2.gz GBAUMJWTJQLDSH-MRXNPFEDSA-N 2 0 333.480 1.752 20 0 EDADRP CN1CC[C@@H]([N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)C1=O ZINC000378004430 158053396 /nfs/dbraw/zinc/05/33/96/158053396.db2.gz NEIPQXNVSBZAHK-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)(C)C[NH+](C)C ZINC000378041733 158062780 /nfs/dbraw/zinc/06/27/80/158062780.db2.gz FPKPQLKDGPCRAC-ARFHVFGLSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCC(C)CC1 ZINC000419142910 286856360 /nfs/dbraw/zinc/85/63/60/286856360.db2.gz CQGUWVGCLLHYRQ-HNNXBMFYSA-N 2 0 338.496 1.001 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417700483 287011687 /nfs/dbraw/zinc/01/16/87/287011687.db2.gz LKFQECLQAQJIPF-WBVHZDCISA-N 2 0 326.485 1.319 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000072827350 287257365 /nfs/dbraw/zinc/25/73/65/287257365.db2.gz VYXJHHYXLNTDLG-KRWDZBQOSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH2+]CCCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418275151 304473060 /nfs/dbraw/zinc/47/30/60/304473060.db2.gz CACVUWLISZKIPE-UHFFFAOYSA-N 2 0 328.407 1.648 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062717 287318755 /nfs/dbraw/zinc/31/87/55/287318755.db2.gz VERSTQKNXDKSER-IXDOHACOSA-N 2 0 325.497 1.759 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1OCCc2ccccc21 ZINC000115371135 287344479 /nfs/dbraw/zinc/34/44/79/287344479.db2.gz RZFOILZBWJYKKX-GOSISDBHSA-N 2 0 333.476 1.642 20 0 EDADRP CC[N@H+](CCNC(=O)Nc1ccc(N2CCOCC2)nc1C)C1CC1 ZINC000119272576 287351357 /nfs/dbraw/zinc/35/13/57/287351357.db2.gz KASGYDYJJKQOBQ-UHFFFAOYSA-N 2 0 347.463 1.832 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000158937381 225112696 /nfs/dbraw/zinc/11/26/96/225112696.db2.gz XUKOGCFKTDKSGE-HXUWFJFHSA-N 2 0 342.487 1.411 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418333813 304481968 /nfs/dbraw/zinc/48/19/68/304481968.db2.gz VPMAVHXNQSKDEK-BRWVUGGUSA-N 2 0 331.464 1.249 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000649837396 452296590 /nfs/dbraw/zinc/29/65/90/452296590.db2.gz HJGDGNOSKAJUKM-ZNMIVQPWSA-N 2 0 337.430 1.696 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418371413 304487135 /nfs/dbraw/zinc/48/71/35/304487135.db2.gz XMNXQUAFESQKAV-MRXNPFEDSA-N 2 0 340.512 1.429 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237156740 273008286 /nfs/dbraw/zinc/00/82/86/273008286.db2.gz BDZJOFBAKLJTMS-ZWKOTPCHSA-N 2 0 338.540 1.674 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000193934421 267851120 /nfs/dbraw/zinc/85/11/20/267851120.db2.gz HGCJYSISDGRLKY-UHFFFAOYSA-N 2 0 334.508 1.101 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000195138888 267882999 /nfs/dbraw/zinc/88/29/99/267882999.db2.gz HSBIPLYZQYWUSX-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000275135393 273102792 /nfs/dbraw/zinc/10/27/92/273102792.db2.gz LXPYYYUVZNENLG-KRWDZBQOSA-N 2 0 345.487 1.811 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660468 274032960 /nfs/dbraw/zinc/03/29/60/274032960.db2.gz BZBLLKIPJVKATB-ROUUACIJSA-N 2 0 348.491 1.179 20 0 EDADRP CC(=O)[C@](C)(O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000330807024 275500365 /nfs/dbraw/zinc/50/03/65/275500365.db2.gz CMLJDNBQCPTTEK-RLFYNMQTSA-N 2 0 326.481 1.538 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418680347 276120263 /nfs/dbraw/zinc/12/02/63/276120263.db2.gz FYOJZUNKASTNAA-OKZBNKHCSA-N 2 0 330.476 1.868 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348126972 276385254 /nfs/dbraw/zinc/38/52/54/276385254.db2.gz ROOSEWGXLMAWJC-QLFBSQMISA-N 2 0 337.430 1.960 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC[S@](C)=O)CC1 ZINC000180138309 277113270 /nfs/dbraw/zinc/11/32/70/277113270.db2.gz DEWIZIJPFBDBKB-QFIPXVFZSA-N 2 0 343.924 1.950 20 0 EDADRP COCC1(C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000373550742 277197890 /nfs/dbraw/zinc/19/78/90/277197890.db2.gz IABAKZYLYMAPKC-MRXNPFEDSA-N 2 0 337.508 1.916 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417090451 277301019 /nfs/dbraw/zinc/30/10/19/277301019.db2.gz WLDGCIBCYNETNK-OAHLLOKOSA-N 2 0 330.476 1.732 20 0 EDADRP CC(C)(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422766392 277303671 /nfs/dbraw/zinc/30/36/71/277303671.db2.gz XDQDWDARHGCCFM-PXNSSMCTSA-N 2 0 345.487 1.943 20 0 EDADRP COC1(C(=O)NC2CC[NH+](C3CCC(C)CC3)CC2)CC[NH2+]CC1 ZINC000370762860 277462209 /nfs/dbraw/zinc/46/22/09/277462209.db2.gz CCRBLQVRWAPBRY-UHFFFAOYSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000355452935 278177265 /nfs/dbraw/zinc/17/72/65/278177265.db2.gz TUZQUHRDPKZNNJ-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417596321 278201421 /nfs/dbraw/zinc/20/14/21/278201421.db2.gz ZUBWYRUHLRUEBD-APWZRJJASA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351281 278212767 /nfs/dbraw/zinc/21/27/67/278212767.db2.gz WKUQEOYZMJQNLH-FPSMNIFISA-N 2 0 336.524 1.295 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418422690 279137304 /nfs/dbraw/zinc/13/73/04/279137304.db2.gz BIJDPUWPBVVBCU-OAGGEKHMSA-N 2 0 326.485 1.288 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333769650 279190569 /nfs/dbraw/zinc/19/05/69/279190569.db2.gz FDMDSRDSRWPUFO-NJAFHUGGSA-N 2 0 337.508 1.996 20 0 EDADRP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000367552959 280010805 /nfs/dbraw/zinc/01/08/05/280010805.db2.gz OSCMFSDPLUOSRI-BZUAXINKSA-N 2 0 329.510 1.263 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000287258805 288193714 /nfs/dbraw/zinc/19/37/14/288193714.db2.gz UKQVDIYPXUVWQB-KRWDZBQOSA-N 2 0 334.464 1.691 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337725069 280131871 /nfs/dbraw/zinc/13/18/71/280131871.db2.gz SMUXVBQMQSRIFN-IEBWSBKVSA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@@H](CNC(=O)N(C)C1CC([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417019255 280141621 /nfs/dbraw/zinc/14/16/21/280141621.db2.gz QVDJOEHABHUOTM-ADKAHSJRSA-N 2 0 330.476 1.954 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000287312672 288207485 /nfs/dbraw/zinc/20/74/85/288207485.db2.gz GXAKLFDUPZGNCM-WMZOPIPTSA-N 2 0 332.492 1.800 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000370762864 280216748 /nfs/dbraw/zinc/21/67/48/280216748.db2.gz CEMZIRXZWYOSDN-CQSZACIVSA-N 2 0 346.479 1.258 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000287411537 288231915 /nfs/dbraw/zinc/23/19/15/288231915.db2.gz XIWPDTQTQUAKKJ-SOLBZPMBSA-N 2 0 348.491 1.386 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000377787636 280479858 /nfs/dbraw/zinc/47/98/58/280479858.db2.gz WBEVJLAOXHXAIG-IAGOWNOFSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564594 288314765 /nfs/dbraw/zinc/31/47/65/288314765.db2.gz SVPLBUKYORFVKB-ZBFHGGJFSA-N 2 0 337.489 1.605 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000287779773 288321881 /nfs/dbraw/zinc/32/18/81/288321881.db2.gz AIBNWVANGNIHRE-RYQLBKOJSA-N 2 0 330.476 1.710 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728977 282038183 /nfs/dbraw/zinc/03/81/83/282038183.db2.gz BNBQMMFAJMCLGL-MSOLQXFVSA-N 2 0 344.503 1.902 20 0 EDADRP COCCOCc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000290198387 288856522 /nfs/dbraw/zinc/85/65/22/288856522.db2.gz UMHMSWOLEARFPE-GOSISDBHSA-N 2 0 349.519 1.965 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccc2c(c1)oc(=O)n2C)CC[NH+](C)C ZINC000353540119 289133036 /nfs/dbraw/zinc/13/30/36/289133036.db2.gz BOPUWAFDGFDPGJ-UHFFFAOYSA-N 2 0 334.464 1.447 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000365446039 289226096 /nfs/dbraw/zinc/22/60/96/289226096.db2.gz XYUDZCXJASSJOF-QGZVFWFLSA-N 2 0 345.487 1.933 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000133474727 289278658 /nfs/dbraw/zinc/27/86/58/289278658.db2.gz OTNRCFLOCCHIJE-CABCVRRESA-N 2 0 325.453 1.640 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000333772920 294610582 /nfs/dbraw/zinc/61/05/82/294610582.db2.gz CILBRQQVIHETEI-QZWWFDLISA-N 2 0 338.496 1.399 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000333900191 295335415 /nfs/dbraw/zinc/33/54/15/295335415.db2.gz ZQZKVDAIBVCBQH-HOTGVXAUSA-N 2 0 338.496 1.576 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418521146 304507858 /nfs/dbraw/zinc/50/78/58/304507858.db2.gz HZKSSGXWWJLOIS-GFCCVEGCSA-N 2 0 328.407 1.775 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418564211 304513456 /nfs/dbraw/zinc/51/34/56/304513456.db2.gz JHUYBRAMXQQIHK-IXPVHAAZSA-N 2 0 326.391 1.399 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000418595849 304516429 /nfs/dbraw/zinc/51/64/29/304516429.db2.gz XHYIVKFDDTVEIT-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418631224 304521582 /nfs/dbraw/zinc/52/15/82/304521582.db2.gz XROMSVGXOWKYDU-KRWDZBQOSA-N 2 0 333.480 1.672 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418634431 304522557 /nfs/dbraw/zinc/52/25/57/304522557.db2.gz YTJWOEVIINYPRJ-RBSFLKMASA-N 2 0 326.485 1.125 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418660744 304527189 /nfs/dbraw/zinc/52/71/89/304527189.db2.gz ZEXNINLEQSDKQB-OKZBNKHCSA-N 2 0 330.476 1.936 20 0 EDADRP CCC[C@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC000422008603 447306819 /nfs/dbraw/zinc/30/68/19/447306819.db2.gz AETSVZLAJBVYRJ-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000448238801 447307174 /nfs/dbraw/zinc/30/71/74/447307174.db2.gz HXNMGOHALIWLOI-QGZVFWFLSA-N 2 0 346.475 1.135 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)Cc1ccccn1 ZINC000295182331 303184644 /nfs/dbraw/zinc/18/46/44/303184644.db2.gz PWEOMEGWCFPUDK-GOSISDBHSA-N 2 0 326.444 1.933 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@H](c1cccs1)N1CCOCC1 ZINC000295248382 303194314 /nfs/dbraw/zinc/19/43/14/303194314.db2.gz UABARQGVUJPWMC-LSDHHAIUSA-N 2 0 339.505 1.968 20 0 EDADRP O=C1COc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2N1 ZINC000295455932 303222290 /nfs/dbraw/zinc/22/22/90/303222290.db2.gz VPMMDCKYRKQYJD-UHFFFAOYSA-N 2 0 345.443 1.562 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000297125328 303362445 /nfs/dbraw/zinc/36/24/45/303362445.db2.gz HGIGKJJGXJIMCG-KRWDZBQOSA-N 2 0 328.416 1.594 20 0 EDADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414859777 447331802 /nfs/dbraw/zinc/33/18/02/447331802.db2.gz BHEGUKWXESOTEW-UHFFFAOYSA-N 2 0 327.476 1.543 20 0 EDADRP O=C(CC[C@H]1CCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299464639 303620679 /nfs/dbraw/zinc/62/06/79/303620679.db2.gz DFMFUXMEFPUVJR-GOSISDBHSA-N 2 0 346.475 1.669 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000414884133 447343741 /nfs/dbraw/zinc/34/37/41/447343741.db2.gz URPISEXCJBWYFX-INIZCTEOSA-N 2 0 346.475 1.725 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970424 304881757 /nfs/dbraw/zinc/88/17/57/304881757.db2.gz WOAFYIYDLOFXKC-ZGUYJTEBSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422985042 304882058 /nfs/dbraw/zinc/88/20/58/304882058.db2.gz BVCXQRNJGCGSGT-MVJTYMMSSA-N 2 0 330.476 1.301 20 0 EDADRP CC[C@@H]1CN(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423087060 304885290 /nfs/dbraw/zinc/88/52/90/304885290.db2.gz NEVDFYZAQVVYDS-KPFFTGBYSA-N 2 0 345.487 1.943 20 0 EDADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])ccc1S(C)(=O)=O ZINC000423282317 304891027 /nfs/dbraw/zinc/89/10/27/304891027.db2.gz VTLUBIVPCDNHAF-YUTCNCBUSA-N 2 0 326.462 1.877 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N(C)CC[NH2+]C)CC1 ZINC000423424259 304895436 /nfs/dbraw/zinc/89/54/36/304895436.db2.gz MVKZBDMAIRUFGG-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423768795 304909458 /nfs/dbraw/zinc/90/94/58/304909458.db2.gz DNHRQVDJKUAPCC-ZDUSSCGKSA-N 2 0 327.519 1.733 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037643 304925751 /nfs/dbraw/zinc/92/57/51/304925751.db2.gz KGPODZHGUORVGD-QZOZAFJCSA-N 2 0 331.435 2.000 20 0 EDADRP Cn1cc(C(=O)NC[C@H]([NH3+])c2ccccc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424078089 304928034 /nfs/dbraw/zinc/92/80/34/304928034.db2.gz PMCLEJIXVASSEA-HOCLYGCPSA-N 2 0 327.432 1.317 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000427151069 304985956 /nfs/dbraw/zinc/98/59/56/304985956.db2.gz BTZZYPUBNPOEDQ-SFHVURJKSA-N 2 0 335.492 1.574 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000430154760 305046526 /nfs/dbraw/zinc/04/65/26/305046526.db2.gz IRPFSTRMKCUTJW-CRAIPNDOSA-N 2 0 329.448 1.463 20 0 EDADRP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430597510 305057819 /nfs/dbraw/zinc/05/78/19/305057819.db2.gz AQURKNUNJWYEOW-KRWDZBQOSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@@H](OCCCNC(=O)C[NH+]1CCC(C[NH3+])CC1)c1ccccc1 ZINC000430627874 305060011 /nfs/dbraw/zinc/06/00/11/305060011.db2.gz USIYGGPEKHYKPE-MRXNPFEDSA-N 2 0 333.476 1.941 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cn2c1 ZINC000430629298 305060254 /nfs/dbraw/zinc/06/02/54/305060254.db2.gz PUDXDLVENZYZQK-MRXNPFEDSA-N 2 0 341.459 1.287 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430941525 305069639 /nfs/dbraw/zinc/06/96/39/305069639.db2.gz WXJGMAICKUODQO-DLBZAZTESA-N 2 0 344.503 1.783 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000430957310 305070642 /nfs/dbraw/zinc/07/06/42/305070642.db2.gz OEFRWIORWSXDMR-UHFFFAOYSA-N 2 0 339.867 1.766 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000431039798 305073520 /nfs/dbraw/zinc/07/35/20/305073520.db2.gz YBIYQEYUERCBNJ-QGZVFWFLSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@@H](c1cccnc1)N1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431073849 305074225 /nfs/dbraw/zinc/07/42/25/305074225.db2.gz NBZOZQYTLHZODL-ZDUSSCGKSA-N 2 0 330.436 1.537 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)C[NH+](C)[C@@H]2CCSC2)CCCO1 ZINC000432551698 305093704 /nfs/dbraw/zinc/09/37/04/305093704.db2.gz HYQOQYPCOZYQMQ-HUUCEWRRSA-N 2 0 329.510 1.041 20 0 EDADRP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000432851966 305096122 /nfs/dbraw/zinc/09/61/22/305096122.db2.gz DAOGTOPOFKQGCZ-HNNXBMFYSA-N 2 0 339.505 1.758 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCc2nc3ccccc3[nH]2)CC1 ZINC000433121389 305100868 /nfs/dbraw/zinc/10/08/68/305100868.db2.gz RMZQVWOYSCQGSK-UHFFFAOYSA-N 2 0 343.475 1.815 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@@H]2CCC[NH+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286716 305104878 /nfs/dbraw/zinc/10/48/78/305104878.db2.gz KCVQHXJKANVRLR-RYQLBKOJSA-N 2 0 347.507 1.746 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)[C@H]2CCC[NH+]2C)[C@@H]1c1cnn(C)c1 ZINC000433286715 305104953 /nfs/dbraw/zinc/10/49/53/305104953.db2.gz KCVQHXJKANVRLR-CGTJXYLNSA-N 2 0 347.507 1.746 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000433375060 305106781 /nfs/dbraw/zinc/10/67/81/305106781.db2.gz KOFXFRLNEAWVHK-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)([NH+](C)C)C1 ZINC000433392850 305107596 /nfs/dbraw/zinc/10/75/96/305107596.db2.gz YTHCNCKZFDYDTN-IIDMSEBBSA-N 2 0 348.495 1.443 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000433406990 305108219 /nfs/dbraw/zinc/10/82/19/305108219.db2.gz UONUTVXGHNPWCA-KFWWJZLASA-N 2 0 334.468 1.005 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870540 305114227 /nfs/dbraw/zinc/11/42/27/305114227.db2.gz RCEZBTCEOOECQZ-PBHICJAKSA-N 2 0 339.505 1.755 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000434693657 305127812 /nfs/dbraw/zinc/12/78/12/305127812.db2.gz OBHCUOXDCULIET-SUMWQHHRSA-N 2 0 328.420 1.777 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000435060824 305135765 /nfs/dbraw/zinc/13/57/65/305135765.db2.gz VIFSFBOYCSYMRG-FQEVSTJZSA-N 2 0 342.487 1.541 20 0 EDADRP CCC[N@H+](C)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435572175 305142784 /nfs/dbraw/zinc/14/27/84/305142784.db2.gz CQBDWVMHKBIFFD-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nc2ccccn2c1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436060150 305151777 /nfs/dbraw/zinc/15/17/77/305151777.db2.gz MVQDYJNUHIDUAT-HNNXBMFYSA-N 2 0 329.448 1.462 20 0 EDADRP CCN(CC)S(=O)(=O)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436469446 305157817 /nfs/dbraw/zinc/15/78/17/305157817.db2.gz BEBZKIPWEAPFBY-UHFFFAOYSA-N 2 0 340.493 1.312 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000438840549 305189923 /nfs/dbraw/zinc/18/99/23/305189923.db2.gz ZQLUPPMPOCXNAU-GOSISDBHSA-N 2 0 343.475 1.803 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440820643 305212941 /nfs/dbraw/zinc/21/29/41/305212941.db2.gz GRJNQOPJDTWQKM-GFCCVEGCSA-N 2 0 333.402 1.792 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C(C)C ZINC000440992860 305216012 /nfs/dbraw/zinc/21/60/12/305216012.db2.gz PMYWPWLPCLCDLN-UHFFFAOYSA-N 2 0 341.544 1.430 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000441394651 305221987 /nfs/dbraw/zinc/22/19/87/305221987.db2.gz PIWCMDNPSFUTNW-LPHOPBHVSA-N 3 0 348.535 1.536 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000447656200 305283528 /nfs/dbraw/zinc/28/35/28/305283528.db2.gz JSRASUZEAMODHM-QGZVFWFLSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc2c(c1)OCCCCO2)N1CC[NH+](C)CC1 ZINC000449134166 305307416 /nfs/dbraw/zinc/30/74/16/305307416.db2.gz HGQIXEMSGZMRNZ-MRXNPFEDSA-N 2 0 333.476 1.964 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CCCCC1 ZINC000449161444 305308408 /nfs/dbraw/zinc/30/84/08/305308408.db2.gz FPBLQANABXQITA-AWEZNQCLSA-N 2 0 334.468 1.024 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)ccc1OCC[NH+](C)C ZINC000449331068 305311682 /nfs/dbraw/zinc/31/16/82/305311682.db2.gz XBRWWAYVUADWDA-UKRRQHHQSA-N 2 0 335.448 1.107 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)/C=C/C=C/C(=O)NC(C)(C)C[NH+](C)C ZINC000493524506 305619043 /nfs/dbraw/zinc/61/90/43/305619043.db2.gz MLTXSGCBEZKTEK-WGDLNXRISA-N 2 0 338.496 1.012 20 0 EDADRP CC(C)[NH+](CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(C)C ZINC000515349632 305719394 /nfs/dbraw/zinc/71/93/94/305719394.db2.gz BAMHVQOZUXKRBA-OAHLLOKOSA-N 2 0 336.484 1.269 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCCCCC[NH+]2CCCCC2)n1 ZINC000516488955 305737701 /nfs/dbraw/zinc/73/77/01/305737701.db2.gz QPKGGSZXLVONKS-UHFFFAOYSA-N 2 0 335.496 1.831 20 0 EDADRP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458421337 447358190 /nfs/dbraw/zinc/35/81/90/447358190.db2.gz HYCSBELMNBZDKP-JKSUJKDBSA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000543743706 306068661 /nfs/dbraw/zinc/06/86/61/306068661.db2.gz ORERKDAMXYEQCI-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000544586415 306076977 /nfs/dbraw/zinc/07/69/77/306076977.db2.gz PZZDLPXYBPIYLZ-KRWDZBQOSA-N 2 0 341.496 1.104 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000556849985 306219976 /nfs/dbraw/zinc/21/99/76/306219976.db2.gz NJAVOKIIUUZQEQ-QUCCMNQESA-N 2 0 345.487 1.642 20 0 EDADRP CN1CCC(CNC(=O)NCC2([NH3+])CCC2)([NH+]2CCCCC2)CC1 ZINC000557169763 306225485 /nfs/dbraw/zinc/22/54/85/306225485.db2.gz SKUZOMMJPKIBSX-UHFFFAOYSA-N 2 0 337.512 1.117 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146299 447371872 /nfs/dbraw/zinc/37/18/72/447371872.db2.gz URGJHHPETRRKKW-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000377824529 447375035 /nfs/dbraw/zinc/37/50/35/447375035.db2.gz SSQDCJUZWZNTLR-SFHVURJKSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC1CCOCC1 ZINC000414973607 447380830 /nfs/dbraw/zinc/38/08/30/447380830.db2.gz KORGRAPIHNKSDN-HIFRSBDPSA-N 2 0 337.430 1.865 20 0 EDADRP CN1CCC(CNC(=O)C23CCC[NH+]2CCC3)([NH+]2CCCCC2)CC1 ZINC000377904994 447388141 /nfs/dbraw/zinc/38/81/41/447388141.db2.gz HUIQHIQOEYQZEH-UHFFFAOYSA-N 2 0 348.535 1.681 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426125445 447394985 /nfs/dbraw/zinc/39/49/85/447394985.db2.gz DTWZGDLHIVSPDH-ZIFCJYIRSA-N 2 0 348.535 1.630 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H]2CCC[NH+]2C)CCCO1 ZINC000422207835 447403520 /nfs/dbraw/zinc/40/35/20/447403520.db2.gz QPYCHPCKYDHDFM-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]1 ZINC000415427391 447427731 /nfs/dbraw/zinc/42/77/31/447427731.db2.gz GBPHVEXULKSKLM-HNNXBMFYSA-N 2 0 344.459 1.084 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Br)c[nH]1 ZINC000103211171 441177286 /nfs/dbraw/zinc/17/72/86/441177286.db2.gz QSLYEIAXBATMET-UHFFFAOYSA-N 2 0 331.258 1.343 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NCC1(O)CC[NH+](C)CC1)C(C)C ZINC000072517708 441234474 /nfs/dbraw/zinc/23/44/74/441234474.db2.gz QLYXHSPKSCDUMI-UHFFFAOYSA-N 2 0 328.501 1.251 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccn(C)c1 ZINC000081509532 441279279 /nfs/dbraw/zinc/27/92/79/441279279.db2.gz WFASCRYPOJSNOM-KRWDZBQOSA-N 2 0 335.496 1.583 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000073553586 441324785 /nfs/dbraw/zinc/32/47/85/441324785.db2.gz ZQTHMLREIXRKLA-KRWDZBQOSA-N 2 0 332.492 1.261 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000106434861 441343375 /nfs/dbraw/zinc/34/33/75/441343375.db2.gz GEQIVFVQBGCQCJ-INIZCTEOSA-N 2 0 348.447 1.681 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000082991832 441344746 /nfs/dbraw/zinc/34/47/46/441344746.db2.gz RYZSLBOANMGFOQ-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000106580717 441358909 /nfs/dbraw/zinc/35/89/09/441358909.db2.gz WPLBUKYWXBYSRQ-MRXNPFEDSA-N 2 0 339.528 1.234 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000051957702 441428902 /nfs/dbraw/zinc/42/89/02/441428902.db2.gz JKQIZYDBUDLCET-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)CC[C@@H](C)O)CC1 ZINC000075778908 441554841 /nfs/dbraw/zinc/55/48/41/441554841.db2.gz ITOJFJIHIKTLSV-QGZVFWFLSA-N 2 0 347.503 1.778 20 0 EDADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090797248 441643997 /nfs/dbraw/zinc/64/39/97/441643997.db2.gz QHOZCMXYSFFCIJ-HNNXBMFYSA-N 2 0 343.537 1.655 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000115784210 441777602 /nfs/dbraw/zinc/77/76/02/441777602.db2.gz HUIDTGYJYRFDFR-WBVHZDCISA-N 2 0 340.512 1.517 20 0 EDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000158994052 441779344 /nfs/dbraw/zinc/77/93/44/441779344.db2.gz BUTIHEONLTVFFP-FQEVSTJZSA-N 2 0 346.519 1.728 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000138612864 441795629 /nfs/dbraw/zinc/79/56/29/441795629.db2.gz POWUJQCCECGMLS-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)s1 ZINC000092615749 441813472 /nfs/dbraw/zinc/81/34/72/441813472.db2.gz MENZLCQTPJJJEP-UHFFFAOYSA-N 2 0 339.509 1.099 20 0 EDADRP CC(C)C[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000077775205 441857707 /nfs/dbraw/zinc/85/77/07/441857707.db2.gz HMTLTIYIYFGHJU-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP CC[C@@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000124766518 441951222 /nfs/dbraw/zinc/95/12/22/441951222.db2.gz XPIATQLLZQFOAN-IBGZPJMESA-N 2 0 346.519 1.651 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](CC(C)C)C1 ZINC000126122076 442080844 /nfs/dbraw/zinc/08/08/44/442080844.db2.gz ORWFVXPOUUAWIT-INIZCTEOSA-N 2 0 328.501 1.232 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458672508 447447156 /nfs/dbraw/zinc/44/71/56/447447156.db2.gz YOUADRXUWLQYDT-DLBZAZTESA-N 2 0 340.512 1.397 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000176332366 442210520 /nfs/dbraw/zinc/21/05/20/442210520.db2.gz BWXJUNIEKHKSIM-UHFFFAOYSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000176329652 442210906 /nfs/dbraw/zinc/21/09/06/442210906.db2.gz GINVSMUFAVTNRE-OAHLLOKOSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000128717502 442284312 /nfs/dbraw/zinc/28/43/12/442284312.db2.gz WZVSSIQASJFWGB-IRXDYDNUSA-N 2 0 345.491 1.050 20 0 EDADRP COc1cc(CNC(=O)C[C@H]2CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000130496147 442347645 /nfs/dbraw/zinc/34/76/45/442347645.db2.gz INFDTVQZSPOYBQ-OAHLLOKOSA-N 2 0 335.448 1.251 20 0 EDADRP CC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000130616169 442351722 /nfs/dbraw/zinc/35/17/22/442351722.db2.gz GWSXCOUDPLOEKY-GOSISDBHSA-N 2 0 332.492 1.438 20 0 EDADRP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129460152 442317307 /nfs/dbraw/zinc/31/73/07/442317307.db2.gz CQKKSLCGKREPQS-IEBWSBKVSA-N 2 0 345.487 1.388 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)COC ZINC000494612440 447448699 /nfs/dbraw/zinc/44/86/99/447448699.db2.gz NNZQCTAQQXREFU-INIZCTEOSA-N 2 0 342.528 1.717 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000155748768 442424000 /nfs/dbraw/zinc/42/40/00/442424000.db2.gz FYOWSEDVQAYCRU-HZPDHXFCSA-N 2 0 343.479 1.339 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)[C@H](C)C1 ZINC000133611730 442426124 /nfs/dbraw/zinc/42/61/24/442426124.db2.gz NCWGPSFZPIBMFI-QZTJIDSGSA-N 2 0 346.523 1.309 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@@H](C)O1 ZINC000155919821 442436287 /nfs/dbraw/zinc/43/62/87/442436287.db2.gz WXATWYOJDROJGL-IAGOWNOFSA-N 2 0 340.508 1.739 20 0 EDADRP C[C@H]1CCCN(C(=O)CN2CCN(Cc3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000156648594 442505694 /nfs/dbraw/zinc/50/56/94/442505694.db2.gz FRAHWZRMCRXRLT-PKOBYXMFSA-N 2 0 344.503 1.390 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000156653216 442506671 /nfs/dbraw/zinc/50/66/71/442506671.db2.gz ZIRAZFCEXQUJTM-KRWDZBQOSA-N 2 0 345.487 1.979 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000156678659 442508162 /nfs/dbraw/zinc/50/81/62/442508162.db2.gz YAMCBOJRGORYHP-HKUYNNGSSA-N 2 0 344.503 1.261 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)CC1 ZINC000172798027 442544099 /nfs/dbraw/zinc/54/40/99/442544099.db2.gz KOWJJUGCVLEBKO-MRXNPFEDSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178879967 442511824 /nfs/dbraw/zinc/51/18/24/442511824.db2.gz RFECUNGCLXYSPM-HOCLYGCPSA-N 2 0 348.466 1.897 20 0 EDADRP CCCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000178926501 442527586 /nfs/dbraw/zinc/52/75/86/442527586.db2.gz ACLMOXPEEGXHPH-IBGZPJMESA-N 2 0 344.503 1.799 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231293 442619057 /nfs/dbraw/zinc/61/90/57/442619057.db2.gz BRJSNWLSTKNBLC-ZWKOTPCHSA-N 2 0 333.476 1.734 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000187287017 442667166 /nfs/dbraw/zinc/66/71/66/442667166.db2.gz AODLCGNROQHFFE-AWEZNQCLSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000182141192 442739492 /nfs/dbraw/zinc/73/94/92/442739492.db2.gz GLFWJNPAVXFBRT-UHFFFAOYSA-N 2 0 341.496 1.498 20 0 EDADRP C[C@@H](NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)[C@H](C)N1CCOCC1 ZINC000246340260 442774180 /nfs/dbraw/zinc/77/41/80/442774180.db2.gz OIVVZVRDDSMBQS-WCVJEAGWSA-N 2 0 326.485 1.077 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@@H](C)N1CCOCC1 ZINC000246427376 442781378 /nfs/dbraw/zinc/78/13/78/442781378.db2.gz MJROLWRCDTYJFK-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000247040086 442831045 /nfs/dbraw/zinc/83/10/45/442831045.db2.gz MRUXGJOZTKQDLC-NCOADZHNSA-N 2 0 327.538 1.513 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246874582 442819058 /nfs/dbraw/zinc/81/90/58/442819058.db2.gz FJMLMYDKUHKOBY-WMZOPIPTSA-N 2 0 339.524 1.970 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000246989115 442826087 /nfs/dbraw/zinc/82/60/87/442826087.db2.gz KCSFYVJJDZXAEG-KURKYZTESA-N 2 0 327.513 1.434 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000247196198 442841472 /nfs/dbraw/zinc/84/14/72/442841472.db2.gz QRPVVEZBQLDNRC-OWCLPIDISA-N 2 0 340.512 1.515 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCCNC(=O)[C@@H]3C)c2cc1C ZINC000189330453 442922170 /nfs/dbraw/zinc/92/21/70/442922170.db2.gz HIMINLJLAYJOOU-LSDHHAIUSA-N 2 0 330.432 1.224 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1CO ZINC000248890636 442935437 /nfs/dbraw/zinc/93/54/37/442935437.db2.gz FRRFGAYDZCXXHU-APWZRJJASA-N 2 0 345.487 1.601 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1[NH+](C)C ZINC000268394229 442973830 /nfs/dbraw/zinc/97/38/30/442973830.db2.gz QIHCLIKAEZLKCI-YJBOKZPZSA-N 2 0 348.491 1.719 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccnc1OC ZINC000195118853 442983409 /nfs/dbraw/zinc/98/34/09/442983409.db2.gz NUNOBMSZNIJMNW-OAHLLOKOSA-N 2 0 349.479 1.970 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]nc2c1 ZINC000195122470 442985123 /nfs/dbraw/zinc/98/51/23/442985123.db2.gz KOMCPBGBXYIELU-HNNXBMFYSA-N 2 0 344.463 1.446 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000249555550 442986930 /nfs/dbraw/zinc/98/69/30/442986930.db2.gz JOWSPPHAIOZTFB-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000266034579 442996793 /nfs/dbraw/zinc/99/67/93/442996793.db2.gz SWNAHQOYLQQQTP-RTBURBONSA-N 2 0 348.487 1.697 20 0 EDADRP C[C@H](C(=O)N1CCN(C[C@H](C)O)C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000251903092 443019953 /nfs/dbraw/zinc/01/99/53/443019953.db2.gz SOHKARBLVHVIFE-IXDOHACOSA-N 2 0 345.487 1.347 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184220859 443002528 /nfs/dbraw/zinc/00/25/28/443002528.db2.gz KOJVTSSCMPKEDV-MRXNPFEDSA-N 2 0 325.497 1.759 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354442 443090982 /nfs/dbraw/zinc/09/09/82/443090982.db2.gz JHFLVELHHJSODI-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000266477614 443139619 /nfs/dbraw/zinc/13/96/19/443139619.db2.gz CYXHSBCJUJZBOP-OALUTQOASA-N 2 0 345.487 1.642 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000266477613 443139801 /nfs/dbraw/zinc/13/98/01/443139801.db2.gz CYXHSBCJUJZBOP-MOPGFXCFSA-N 2 0 345.487 1.642 20 0 EDADRP COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184948932 443104772 /nfs/dbraw/zinc/10/47/72/443104772.db2.gz WFJUEJXMAICOIJ-HOCLYGCPSA-N 2 0 335.448 1.146 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000269002386 443170511 /nfs/dbraw/zinc/17/05/11/443170511.db2.gz PLDRDKTVOPMDLP-MJGOQNOKSA-N 3 0 331.504 1.943 20 0 EDADRP Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000237489881 443173868 /nfs/dbraw/zinc/17/38/68/443173868.db2.gz UONYNODBCNMLCW-ZIAGYGMSSA-N 2 0 348.495 1.361 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262403165 443193358 /nfs/dbraw/zinc/19/33/58/443193358.db2.gz ZYXOLHLBHWOTOX-OALUTQOASA-N 2 0 344.503 1.576 20 0 EDADRP COCCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1 ZINC000268959933 443159812 /nfs/dbraw/zinc/15/98/12/443159812.db2.gz XBKBPGRBFLKZJP-QAPCUYQASA-N 2 0 349.475 1.702 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000269235362 443244509 /nfs/dbraw/zinc/24/45/09/443244509.db2.gz GHTCZVWUPTUAJR-ZWKOTPCHSA-N 2 0 331.460 1.046 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185680410 443238187 /nfs/dbraw/zinc/23/81/87/443238187.db2.gz HUWQMKOBUSFGJU-JKSUJKDBSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262712407 443208228 /nfs/dbraw/zinc/20/82/28/443208228.db2.gz FSTCUJIBWOBABH-OWCLPIDISA-N 2 0 333.480 1.658 20 0 EDADRP COC(=O)Cn1cc(CC[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000185716082 443243641 /nfs/dbraw/zinc/24/36/41/443243641.db2.gz WWYMCDQFTCTIOC-CABCVRRESA-N 2 0 349.479 1.236 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000382763719 319125162 /nfs/dbraw/zinc/12/51/62/319125162.db2.gz OTVQBSBDTOXGNQ-SFHVURJKSA-N 2 0 344.503 1.405 20 0 EDADRP COC[C@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000397603595 319136029 /nfs/dbraw/zinc/13/60/29/319136029.db2.gz OTFOPCBMCANFNI-FQEVSTJZSA-N 2 0 345.487 1.641 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@@H]2C)ccc1C[NH+](C)C ZINC000411396832 319181847 /nfs/dbraw/zinc/18/18/47/319181847.db2.gz KLHMLMPWANUTRH-HNNXBMFYSA-N 2 0 346.475 1.548 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H]2C)c1 ZINC000415747169 319369526 /nfs/dbraw/zinc/36/95/26/319369526.db2.gz PLYIBUWYEVNILN-CJNGLKHVSA-N 2 0 332.448 1.415 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000415937976 319383681 /nfs/dbraw/zinc/38/36/81/319383681.db2.gz ZUYYPIAUKMNYCA-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C(C)(C)C[NH+](C)C ZINC000415958720 319385331 /nfs/dbraw/zinc/38/53/31/319385331.db2.gz MCUYIIDHLBYNSK-OCCSQVGLSA-N 2 0 333.480 1.995 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415963022 319385854 /nfs/dbraw/zinc/38/58/54/319385854.db2.gz QVLMGPPONKMMBU-HNNXBMFYSA-N 2 0 331.464 1.847 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415996078 319388466 /nfs/dbraw/zinc/38/84/66/319388466.db2.gz OMKIYLGRRRDHKU-KBPBESRZSA-N 2 0 346.397 1.738 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cncc(Br)c1 ZINC000185870879 443272890 /nfs/dbraw/zinc/27/28/90/443272890.db2.gz KYESMZKFKCFXBM-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H](C)c2cccc(O)c2)C1 ZINC000191431540 443293707 /nfs/dbraw/zinc/29/37/07/443293707.db2.gz UMYMCCHVPDKCFW-CRAIPNDOSA-N 2 0 349.475 1.516 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000186037272 443300803 /nfs/dbraw/zinc/30/08/03/443300803.db2.gz AGJZUAJUQJKDPL-MRXNPFEDSA-N 2 0 347.507 1.896 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(OCCC[NH3+])CC2)CCCC1 ZINC000416834868 319464983 /nfs/dbraw/zinc/46/49/83/319464983.db2.gz XQYHHPKFNCZARJ-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)CC(C)C ZINC000416941577 319480667 /nfs/dbraw/zinc/48/06/67/319480667.db2.gz AGFXTSZQQRXGFI-HNNXBMFYSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000417480102 319495683 /nfs/dbraw/zinc/49/56/83/319495683.db2.gz LPNZHQFLMDEBON-WMLDXEAASA-N 2 0 334.464 1.506 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000264722622 443391452 /nfs/dbraw/zinc/39/14/52/443391452.db2.gz FGYHJUWZONNREP-SFHVURJKSA-N 2 0 347.507 1.006 20 0 EDADRP CC[C@@H](C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559157 443348144 /nfs/dbraw/zinc/34/81/44/443348144.db2.gz QFBYFXPRIUUABV-OALUTQOASA-N 2 0 347.503 1.642 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000264815248 443438305 /nfs/dbraw/zinc/43/83/05/443438305.db2.gz YYGZTDKCFQYXBU-IBGZPJMESA-N 2 0 344.503 1.648 20 0 EDADRP C[C@@H](CC(N)=O)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267254058 443394500 /nfs/dbraw/zinc/39/45/00/443394500.db2.gz OSOZTNYRLWKATO-INIZCTEOSA-N 2 0 333.476 1.911 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C23CCC[NH+]2CCC3)c1 ZINC000278984686 443481279 /nfs/dbraw/zinc/48/12/79/443481279.db2.gz YVLKUKKWXQCNKY-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC(C)(C)CC[NH3+])[NH+]1CCOCC1 ZINC000422596717 319719512 /nfs/dbraw/zinc/71/95/12/319719512.db2.gz ZURQFOBSNOEIDZ-HNNXBMFYSA-N 2 0 328.501 1.550 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1CCOC1 ZINC000267475241 443470594 /nfs/dbraw/zinc/47/05/94/443470594.db2.gz ZAAVWGCXGCDPDI-BHIYHBOVSA-N 2 0 345.487 1.734 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000423037825 319748726 /nfs/dbraw/zinc/74/87/26/319748726.db2.gz CBZYWJFXLAHZHT-HNNXBMFYSA-N 3 0 325.497 1.629 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CC(=O)OC)c1ccsc1 ZINC000423323393 319764340 /nfs/dbraw/zinc/76/43/40/319764340.db2.gz JIHPFNURZAUPIK-STQMWFEESA-N 2 0 327.450 1.138 20 0 EDADRP C[C@H](C[NH3+])N[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423327741 319765045 /nfs/dbraw/zinc/76/50/45/319765045.db2.gz NRULQTIOUHDPLS-WBMJQRKESA-N 2 0 338.883 1.515 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC000273161643 443554575 /nfs/dbraw/zinc/55/45/75/443554575.db2.gz BRHJDKCNOOIWLK-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000272329901 443593288 /nfs/dbraw/zinc/59/32/88/443593288.db2.gz VMOVUNHGALTSRL-CRAIPNDOSA-N 2 0 330.476 1.243 20 0 EDADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccc(F)cc1 ZINC000433155610 319972654 /nfs/dbraw/zinc/97/26/54/319972654.db2.gz YJCAAAULJHIMGT-AWEZNQCLSA-N 2 0 337.439 1.913 20 0 EDADRP COC(=O)c1ccc(F)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433169007 319973799 /nfs/dbraw/zinc/97/37/99/319973799.db2.gz PLAVVFUNVSFYPJ-UHFFFAOYSA-N 2 0 337.395 1.754 20 0 EDADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000279943551 443646868 /nfs/dbraw/zinc/64/68/68/443646868.db2.gz XKQPNCMWCAQKLE-SFHVURJKSA-N 2 0 345.487 1.601 20 0 EDADRP O=C(CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)N1CCC1 ZINC000286176247 443662272 /nfs/dbraw/zinc/66/22/72/443662272.db2.gz WYCXVCMYNMIJQH-IBGZPJMESA-N 2 0 342.487 1.111 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000434871528 320006308 /nfs/dbraw/zinc/00/63/08/320006308.db2.gz WXCUVIWESGJCHT-MRXNPFEDSA-N 2 0 325.522 1.852 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000444260387 320122759 /nfs/dbraw/zinc/12/27/59/320122759.db2.gz AGUSXLIIGSXXEH-QGZVFWFLSA-N 2 0 330.476 1.457 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[C@H]1CCC[NH2+]1 ZINC000444269255 320123532 /nfs/dbraw/zinc/12/35/32/320123532.db2.gz NZDCAFAZRAJVJW-GOSISDBHSA-N 2 0 344.503 1.847 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000447444325 320142432 /nfs/dbraw/zinc/14/24/32/320142432.db2.gz WCQSSYNZZGRHIF-IBGZPJMESA-N 2 0 333.476 1.866 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000447959909 320150724 /nfs/dbraw/zinc/15/07/24/320150724.db2.gz URKSKFIHSNTGNR-PBHICJAKSA-N 2 0 342.553 1.843 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)[C@@H](C)C1 ZINC000453296448 320262609 /nfs/dbraw/zinc/26/26/09/320262609.db2.gz YSIPETKZYMXZGM-JYJNAYRXSA-N 2 0 349.541 1.041 20 0 EDADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453644330 320266263 /nfs/dbraw/zinc/26/62/63/320266263.db2.gz MHXCTBMUYXBMBR-INIZCTEOSA-N 2 0 332.448 1.242 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)[C@@H](C)C1 ZINC000479373016 320355464 /nfs/dbraw/zinc/35/54/64/320355464.db2.gz AQUCMZJMZYKPEH-QZWWFDLISA-N 2 0 340.512 1.203 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490868470 320363985 /nfs/dbraw/zinc/36/39/85/320363985.db2.gz BEQXYUBMRDWBSP-UHFFFAOYSA-N 2 0 329.448 1.120 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297851 443685600 /nfs/dbraw/zinc/68/56/00/443685600.db2.gz GJPUGAOJEWNONQ-AWEZNQCLSA-N 2 0 334.489 1.881 20 0 EDADRP COc1cc2[nH+]ccc(NC[C@@H]3C[N@H+](C)CCN3C)c2cc1OC ZINC000298252974 443730779 /nfs/dbraw/zinc/73/07/79/443730779.db2.gz NGTNTCHKUJHDAC-CYBMUJFWSA-N 2 0 330.432 1.910 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000276640101 443774443 /nfs/dbraw/zinc/77/44/43/443774443.db2.gz OOKOIZIEFONVON-UHFFFAOYSA-N 2 0 345.487 1.606 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)n1cccn1 ZINC000530214305 320616375 /nfs/dbraw/zinc/61/63/75/320616375.db2.gz XHEFBMJXEJUPJG-DGAVXFQQSA-N 2 0 332.370 1.733 20 0 EDADRP CC(C)(C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000530241205 320617400 /nfs/dbraw/zinc/61/74/00/320617400.db2.gz DIMIKMROXRMDLN-UHFFFAOYSA-N 2 0 330.476 1.607 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000298887214 443892353 /nfs/dbraw/zinc/89/23/53/443892353.db2.gz SJCXKNXBAVQTOP-KBPBESRZSA-N 2 0 332.448 1.734 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000537957104 320740464 /nfs/dbraw/zinc/74/04/64/320740464.db2.gz REHODRPGIFQEHV-ZWKOTPCHSA-N 2 0 345.491 1.413 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000288502925 443901117 /nfs/dbraw/zinc/90/11/17/443901117.db2.gz BJOSMEYXBFJRBM-MRXNPFEDSA-N 2 0 335.448 1.424 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000299180950 443976641 /nfs/dbraw/zinc/97/66/41/443976641.db2.gz XPWNIKQVDCZRQI-OAHLLOKOSA-N 2 0 346.475 1.330 20 0 EDADRP CNC(=O)NC(=O)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000299297848 444009662 /nfs/dbraw/zinc/00/96/62/444009662.db2.gz MRVPQAZCXUNQRO-HWWDLCQESA-N 2 0 346.475 1.578 20 0 EDADRP CCC[C@]1(CO)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000288905220 444010210 /nfs/dbraw/zinc/01/02/10/444010210.db2.gz SXLHYAMWIXHBRJ-QUCCMNQESA-N 2 0 347.503 1.890 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000560871143 321029293 /nfs/dbraw/zinc/02/92/93/321029293.db2.gz JEUNBTDDHIZOLB-NRFBVMONSA-N 2 0 335.536 1.791 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000561215532 321036529 /nfs/dbraw/zinc/03/65/29/321036529.db2.gz ALRDSPICMVMTLZ-QGZVFWFLSA-N 2 0 345.491 1.482 20 0 EDADRP CSC1(C[NH2+]C2CCN(c3cnccn3)CC2)CC[NH+](C)CC1 ZINC000562100925 321046384 /nfs/dbraw/zinc/04/63/84/321046384.db2.gz WYVVJJQYRUFSBY-UHFFFAOYSA-N 2 0 335.521 1.862 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1(C)C ZINC000562457040 321058728 /nfs/dbraw/zinc/05/87/28/321058728.db2.gz VSFGZOFTLDCYNT-UHFFFAOYSA-N 2 0 332.496 1.192 20 0 EDADRP C[C@@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[NH+]1CCC(C)CC1 ZINC000562661006 321066823 /nfs/dbraw/zinc/06/68/23/321066823.db2.gz OUXHYHWNHWDWRU-YESZJQIVSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@@H+]1C ZINC000562769672 321076115 /nfs/dbraw/zinc/07/61/15/321076115.db2.gz JNVOSYVCFUFPLJ-YOEHRIQHSA-N 2 0 331.464 1.702 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000562803795 321077076 /nfs/dbraw/zinc/07/70/76/321077076.db2.gz BNZGQJDQWLHTCF-MAUKXSAKSA-N 2 0 344.503 1.997 20 0 EDADRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000562960769 321083966 /nfs/dbraw/zinc/08/39/66/321083966.db2.gz YJHKXYKNJYLPKD-SIXWZSSISA-N 2 0 339.443 1.747 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000563075146 321093950 /nfs/dbraw/zinc/09/39/50/321093950.db2.gz YHPXHRKZOHYTLO-KDOFPFPSSA-N 2 0 331.460 1.258 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000563092182 321094830 /nfs/dbraw/zinc/09/48/30/321094830.db2.gz IENRTOOCAITERG-MRXNPFEDSA-N 2 0 332.448 1.042 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)COCc1ccccc1 ZINC000564854990 321151771 /nfs/dbraw/zinc/15/17/71/321151771.db2.gz VBDBHZTULBGDHK-XUVXKRRUSA-N 2 0 348.487 1.532 20 0 EDADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000289273570 444093728 /nfs/dbraw/zinc/09/37/28/444093728.db2.gz FKGIWNCPSLMYOK-DLBZAZTESA-N 2 0 349.475 1.921 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000565174863 321173092 /nfs/dbraw/zinc/17/30/92/321173092.db2.gz UIJPRULEYVDEBE-UXHICEINSA-N 2 0 331.504 1.897 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000565999555 321209541 /nfs/dbraw/zinc/20/95/41/321209541.db2.gz IPGKWYMICAQFBX-INIZCTEOSA-N 2 0 345.491 1.987 20 0 EDADRP CC(C)[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000566106909 321215411 /nfs/dbraw/zinc/21/54/11/321215411.db2.gz BXYMQKDNTZSONU-MAUKXSAKSA-N 2 0 345.491 1.458 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCCC[NH2+]1 ZINC000568499375 321294074 /nfs/dbraw/zinc/29/40/74/321294074.db2.gz MZFVOEXFVICVHE-PMPSAXMXSA-N 2 0 343.479 1.461 20 0 EDADRP CN1CCN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000569085715 321317665 /nfs/dbraw/zinc/31/76/65/321317665.db2.gz JAMGWKJAJNFDLB-SFHVURJKSA-N 3 0 345.491 1.067 20 0 EDADRP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472527 321326708 /nfs/dbraw/zinc/32/67/08/321326708.db2.gz ASDMJMDIONMKDS-POAQFYNOSA-N 2 0 345.487 1.679 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000570562033 321347836 /nfs/dbraw/zinc/34/78/36/321347836.db2.gz HWWBLSKAFNHTBQ-LVQVYYBASA-N 2 0 329.510 1.311 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)C3(C[NH3+])CCC3)CC2)c1 ZINC000570931244 321364353 /nfs/dbraw/zinc/36/43/53/321364353.db2.gz IHOIWGHBYYGRHZ-UHFFFAOYSA-N 2 0 344.503 1.847 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CCOC1C[NH2+]C1 ZINC000571926519 321406908 /nfs/dbraw/zinc/40/69/08/321406908.db2.gz UDIMTTWENHIECF-UHFFFAOYSA-N 2 0 346.475 1.525 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccn2)CC1 ZINC000278284665 444129063 /nfs/dbraw/zinc/12/90/63/444129063.db2.gz QKPMJJBHHLWOBG-SZMVWBNQSA-N 2 0 330.476 1.737 20 0 EDADRP Cn1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(-c2ccncc2)n1 ZINC000289492687 444158005 /nfs/dbraw/zinc/15/80/05/444158005.db2.gz RUXZZTSMNCIBFE-UHFFFAOYSA-N 2 0 342.491 1.551 20 0 EDADRP CN(CCC[N@H+](C)CC(=O)NC(=O)Nc1ccccc1)CC[NH+](C)C ZINC000289493008 444158278 /nfs/dbraw/zinc/15/82/78/444158278.db2.gz STLSZLABLPWNSO-UHFFFAOYSA-N 2 0 349.479 1.150 20 0 EDADRP C[C@H]([NH2+]CCCn1cc(CO)nn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289886296 444215388 /nfs/dbraw/zinc/21/53/88/444215388.db2.gz SHOFNCBUDRVTGO-FUHWJXTLSA-N 2 0 343.475 1.661 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000575156614 321518096 /nfs/dbraw/zinc/51/80/96/321518096.db2.gz GDOBWRFYEWLRIW-ZSHCYNCHSA-N 2 0 334.489 1.477 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000576492615 321571672 /nfs/dbraw/zinc/57/16/72/321571672.db2.gz OGWPOWLEZYQUFL-YOEHRIQHSA-N 2 0 331.464 1.595 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000576511783 321572439 /nfs/dbraw/zinc/57/24/39/321572439.db2.gz LYPWDXFRDRWCHC-QFBILLFUSA-N 2 0 337.483 1.592 20 0 EDADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000290254667 444259647 /nfs/dbraw/zinc/25/96/47/444259647.db2.gz WTJILOWYQZRDCB-CQSZACIVSA-N 2 0 347.381 1.569 20 0 EDADRP COc1cc2c(c(CN(CCO)C3CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000305161683 444261942 /nfs/dbraw/zinc/26/19/42/444261942.db2.gz BUOMXJFSOUCVFC-CQSZACIVSA-N 2 0 334.460 1.907 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000302889205 444230117 /nfs/dbraw/zinc/23/01/17/444230117.db2.gz NCFQAAAYSFVTIV-JKSUJKDBSA-N 2 0 333.480 1.606 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)nc1 ZINC000290634251 444304066 /nfs/dbraw/zinc/30/40/66/444304066.db2.gz JCBGLPXRPYCAFI-NSHDSACASA-N 2 0 328.254 1.951 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000577485482 321656738 /nfs/dbraw/zinc/65/67/38/321656738.db2.gz FNNIOWPYIHEWOT-SJLPKXTDSA-N 2 0 346.475 1.835 20 0 EDADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C ZINC000307976448 444288855 /nfs/dbraw/zinc/28/88/55/444288855.db2.gz WDLPGTROXDBYDO-AEFFLSMTSA-N 2 0 347.507 1.600 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310295644 444291630 /nfs/dbraw/zinc/29/16/30/444291630.db2.gz OUBZMVAQPYXIKE-INIZCTEOSA-N 2 0 332.492 1.307 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000327247200 444380958 /nfs/dbraw/zinc/38/09/58/444380958.db2.gz NZNAFFQXYJXYOO-IBGZPJMESA-N 3 0 346.519 1.605 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218584 444447292 /nfs/dbraw/zinc/44/72/92/444447292.db2.gz HOLWGAMIRJBXBX-XJKSGUPXSA-N 2 0 343.468 1.376 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000579212218 321900309 /nfs/dbraw/zinc/90/03/09/321900309.db2.gz KSZJJALKUPKPFD-ZWKOTPCHSA-N 2 0 330.476 1.914 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@](C)(O)C(F)(F)F)(N2CCCCC2)CC1 ZINC000579583078 321949851 /nfs/dbraw/zinc/94/98/51/321949851.db2.gz BPYMCMNAFWEABI-AWEZNQCLSA-N 2 0 337.430 1.840 20 0 EDADRP CC(C)c1nc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cs1 ZINC000580063920 322003596 /nfs/dbraw/zinc/00/35/96/322003596.db2.gz BKSCNGWRHCJQIB-OAHLLOKOSA-N 2 0 326.510 1.007 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580300423 322032925 /nfs/dbraw/zinc/03/29/25/322032925.db2.gz KTQSHQPDJBIEHW-KCQAQPDRSA-N 2 0 344.450 1.936 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@]3(C)CCC[NH2+]3)ccc2oc1=O ZINC000580648485 322078328 /nfs/dbraw/zinc/07/83/28/322078328.db2.gz AIHWGYHTWOOREX-KRWDZBQOSA-N 2 0 332.404 1.237 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478100 322181860 /nfs/dbraw/zinc/18/18/60/322181860.db2.gz DRRTZMXTPCYCEB-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000581820694 322220582 /nfs/dbraw/zinc/22/05/82/322220582.db2.gz RHPZTGTWZLWMNA-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)cc1C ZINC000338081606 444510954 /nfs/dbraw/zinc/51/09/54/444510954.db2.gz CTTPTEVQOOEYLM-KRWDZBQOSA-N 2 0 335.496 1.374 20 0 EDADRP C[C@@H]([NH2+]CCn1nc2ccccn2c1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329403791 444565493 /nfs/dbraw/zinc/56/54/93/444565493.db2.gz CGNWDIDDGAFPIE-HZPDHXFCSA-N 2 0 343.475 1.739 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765729 444575615 /nfs/dbraw/zinc/57/56/15/444575615.db2.gz IUPGFDBPJMXSHL-KFAOIVLFSA-N 2 0 335.492 1.284 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000338260633 444593734 /nfs/dbraw/zinc/59/37/34/444593734.db2.gz XERITRDXDIBYJL-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP CN(C)c1ncc(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)n1C ZINC000332972355 444617036 /nfs/dbraw/zinc/61/70/36/444617036.db2.gz ZYHGJHUEFSRNNL-HIFRSBDPSA-N 2 0 334.468 1.112 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000343842093 444621511 /nfs/dbraw/zinc/62/15/11/444621511.db2.gz ZZBROYWKMGEYMO-ALOPSCKCSA-N 2 0 335.492 1.382 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000333001610 444625669 /nfs/dbraw/zinc/62/56/69/444625669.db2.gz HVQKLPLFHUMVIK-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341057046 444656644 /nfs/dbraw/zinc/65/66/44/444656644.db2.gz NOIKOJWOHCHKBW-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343968956 444701232 /nfs/dbraw/zinc/70/12/32/444701232.db2.gz BLAQILKWDHOWDU-MAUKXSAKSA-N 2 0 332.492 1.984 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000338459658 444705575 /nfs/dbraw/zinc/70/55/75/444705575.db2.gz MGUHERKPSCFFAI-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341194762 444721584 /nfs/dbraw/zinc/72/15/84/444721584.db2.gz RPUHPVFRKSMEFZ-UHFFFAOYSA-N 2 0 333.476 1.628 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C)C[NH2+]1 ZINC000333951254 444727485 /nfs/dbraw/zinc/72/74/85/444727485.db2.gz YVDLTVKNMRHWAC-CABCVRRESA-N 2 0 331.464 1.438 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000342425608 444686666 /nfs/dbraw/zinc/68/66/66/444686666.db2.gz PHSFEJUFKSNMBM-HNAYVOBHSA-N 2 0 345.487 1.457 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(C)CCC[N@H+](C)Cc2ccco2)CC1 ZINC000344069505 444763769 /nfs/dbraw/zinc/76/37/69/444763769.db2.gz WKKYWAQTSXCULB-UHFFFAOYSA-N 2 0 336.480 1.197 20 0 EDADRP COC(=O)[C@](C)(O)C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336719754 444796279 /nfs/dbraw/zinc/79/62/79/444796279.db2.gz RTWBHQMOHHFQTK-YQVWRLOYSA-N 2 0 332.444 1.364 20 0 EDADRP Cc1cn2c(n1)C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000625541004 450417362 /nfs/dbraw/zinc/41/73/62/450417362.db2.gz SNNQLLJPQRRPAH-QGZVFWFLSA-N 3 0 349.523 1.486 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)CN1CCOCC1 ZINC000344151658 444808585 /nfs/dbraw/zinc/80/85/85/444808585.db2.gz TYHBMZZRMQSPBE-GOSISDBHSA-N 2 0 326.529 1.057 20 0 EDADRP C[C@@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000344174544 444822088 /nfs/dbraw/zinc/82/20/88/444822088.db2.gz QVLAFDGKHSNJGG-RYRKJORJSA-N 2 0 333.476 1.498 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H](C(C)(C)C)C2)C1 ZINC000344164900 444817145 /nfs/dbraw/zinc/81/71/45/444817145.db2.gz PFODQFSVACADSN-SJORKVTESA-N 2 0 339.524 1.827 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[N@@H+]1C ZINC000344235394 444855544 /nfs/dbraw/zinc/85/55/44/444855544.db2.gz KWWWOJVMPHZJEY-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000342766022 444856404 /nfs/dbraw/zinc/85/64/04/444856404.db2.gz RQVHZVKNVHZJOD-PVAVHDDUSA-N 2 0 347.459 1.436 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943330 444956335 /nfs/dbraw/zinc/95/63/35/444956335.db2.gz PUBMOPHWSKVHRV-RDJZCZTQSA-N 2 0 345.491 1.806 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000343036328 445020126 /nfs/dbraw/zinc/02/01/26/445020126.db2.gz XTHTYADXISVSMR-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344488453 445004930 /nfs/dbraw/zinc/00/49/30/445004930.db2.gz XAAAAEBLICHFJM-CVEARBPZSA-N 2 0 328.501 1.109 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H](C)CC(N)=O)CC2)c1 ZINC000341886640 445053124 /nfs/dbraw/zinc/05/31/24/445053124.db2.gz CAGCPLBWWYGDTN-KRWDZBQOSA-N 2 0 332.492 1.751 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000343097758 445063287 /nfs/dbraw/zinc/06/32/87/445063287.db2.gz OKJRIKPASSNUOX-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341904279 445064343 /nfs/dbraw/zinc/06/43/43/445064343.db2.gz YPVCCILAZSFIOC-SQNIBIBYSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105670 445070339 /nfs/dbraw/zinc/07/03/39/445070339.db2.gz HWFNWUPKQSIMJR-NEWSRXKRSA-N 2 0 345.487 1.591 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343157053 445102519 /nfs/dbraw/zinc/10/25/19/445102519.db2.gz HXXALQQGNNYYMA-ARFHVFGLSA-N 2 0 340.512 1.070 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000337510943 445112540 /nfs/dbraw/zinc/11/25/40/445112540.db2.gz LNKNPLSPHSNLCR-UHFFFAOYSA-N 3 0 347.507 1.475 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000343199639 445129746 /nfs/dbraw/zinc/12/97/46/445129746.db2.gz FQUWJOVEMATHHT-JKSUJKDBSA-N 2 0 339.480 1.982 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)CCO1 ZINC000339443481 445143174 /nfs/dbraw/zinc/14/31/74/445143174.db2.gz UHAFQMKJKYGYGW-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000337584874 445151746 /nfs/dbraw/zinc/15/17/46/445151746.db2.gz QZBAYYTZUGXKNN-HKUYNNGSSA-N 2 0 345.487 1.865 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000346182827 445207896 /nfs/dbraw/zinc/20/78/96/445207896.db2.gz DXXYGNJBGGBHPH-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000347310667 445236027 /nfs/dbraw/zinc/23/60/27/445236027.db2.gz WWSNNTLHAWXWQH-CQSZACIVSA-N 2 0 336.484 2.002 20 0 EDADRP COc1cc(OC)c(NC(=O)CN2CC[C@@H]([C@H](C)[NH3+])C2)cc1Cl ZINC000351864509 445347169 /nfs/dbraw/zinc/34/71/69/445347169.db2.gz YIWPUSAGZDINBG-WDEREUQCSA-N 2 0 341.839 1.965 20 0 EDADRP CC[C@H]1C[C@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCO1 ZINC000356968117 445352301 /nfs/dbraw/zinc/35/23/01/445352301.db2.gz QDXJWTDWPXEZDS-WBVHZDCISA-N 2 0 325.497 1.581 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348237428 445325268 /nfs/dbraw/zinc/32/52/68/445325268.db2.gz CZLBLDSLYYIMIX-WOJBJXKFSA-N 2 0 331.504 1.770 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000357081387 445413988 /nfs/dbraw/zinc/41/39/88/445413988.db2.gz GTRVBWHWSIWPBT-FUHWJXTLSA-N 2 0 343.471 1.948 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000359763320 445414158 /nfs/dbraw/zinc/41/41/58/445414158.db2.gz CDHRKTTVFVTVBH-INMHGKMJSA-N 2 0 348.443 1.571 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000362547445 445433064 /nfs/dbraw/zinc/43/30/64/445433064.db2.gz JCWPYOGPNXSAIP-ZDUSSCGKSA-N 2 0 343.431 1.679 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)n1 ZINC000348912347 445438416 /nfs/dbraw/zinc/43/84/16/445438416.db2.gz OPNUNWUBTBTCPB-UHFFFAOYSA-N 2 0 341.459 1.832 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC000348930724 445444629 /nfs/dbraw/zinc/44/46/29/445444629.db2.gz LNWDPHYMWJTYEJ-SJLPKXTDSA-N 2 0 347.507 1.603 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126379 445509226 /nfs/dbraw/zinc/50/92/26/445509226.db2.gz SHDOKXJWQPYRIU-ICSRJNTNSA-N 2 0 347.503 1.718 20 0 EDADRP C[C@@H](C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260400 445513368 /nfs/dbraw/zinc/51/33/68/445513368.db2.gz VWPNKQDVZNMKNT-OWCLPIDISA-N 2 0 337.508 1.580 20 0 EDADRP [NH3+]C[C@H](C(=O)NC[C@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000357241853 445502482 /nfs/dbraw/zinc/50/24/82/445502482.db2.gz OCZFPOACMBYGLW-ZWKOTPCHSA-N 2 0 327.403 1.871 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)COc3ccccc3O)C2)CC1 ZINC000362791083 445551038 /nfs/dbraw/zinc/55/10/38/445551038.db2.gz FFPLTSKJLHQGMG-CQSZACIVSA-N 2 0 333.432 1.056 20 0 EDADRP CC[C@H](C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+](CC)CC ZINC000360134314 445587168 /nfs/dbraw/zinc/58/71/68/445587168.db2.gz GDDCXWOLVMOXEH-NVXWUHKLSA-N 2 0 325.497 1.819 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000353458247 445610394 /nfs/dbraw/zinc/61/03/94/445610394.db2.gz IUIPLBINULIKGP-NCOADZHNSA-N 2 0 325.497 1.628 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353462438 445612909 /nfs/dbraw/zinc/61/29/09/445612909.db2.gz SLHRXIOZGXXMQT-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000349612257 445622282 /nfs/dbraw/zinc/62/22/82/445622282.db2.gz AAYCEXNVMLOGDE-CVEARBPZSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504838 445623861 /nfs/dbraw/zinc/62/38/61/445623861.db2.gz ITLWWARFOMCZMM-HUUCEWRRSA-N 2 0 336.480 1.466 20 0 EDADRP CCOCCN1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000349642159 445631643 /nfs/dbraw/zinc/63/16/43/445631643.db2.gz FOQKBGDWZAJMAL-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP COC(=O)c1csc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000353503003 445632923 /nfs/dbraw/zinc/63/29/23/445632923.db2.gz NRPYUEUFPFZFTK-LBPRGKRZSA-N 2 0 326.462 1.890 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878417 445593495 /nfs/dbraw/zinc/59/34/95/445593495.db2.gz VWTFWVHTTHVRKU-KBXCAEBGSA-N 2 0 331.460 1.780 20 0 EDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC[NH+](C)CC1 ZINC000353554301 445654454 /nfs/dbraw/zinc/65/44/54/445654454.db2.gz JHKORHCSGBIZNJ-ZIAGYGMSSA-N 2 0 334.551 1.759 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000349888493 445713436 /nfs/dbraw/zinc/71/34/36/445713436.db2.gz INXODHCKCZZOLA-CEXWTWQISA-N 2 0 341.540 1.653 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000349892839 445714680 /nfs/dbraw/zinc/71/46/80/445714680.db2.gz KNJUGQOICGDIPR-IYBDPMFKSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)C1 ZINC000353699892 445715010 /nfs/dbraw/zinc/71/50/10/445715010.db2.gz GQMUJIMWMNOXNT-BRWVUGGUSA-N 2 0 338.496 1.079 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349910932 445718858 /nfs/dbraw/zinc/71/88/58/445718858.db2.gz MYXHQHWRFUKQOI-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358700191 445725968 /nfs/dbraw/zinc/72/59/68/445725968.db2.gz YZTWLUSZTVAUGS-NUJGCVRESA-N 2 0 340.512 1.110 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349941898 445728600 /nfs/dbraw/zinc/72/86/00/445728600.db2.gz ZRQGCTMRWUZQSX-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000363229474 445732619 /nfs/dbraw/zinc/73/26/19/445732619.db2.gz DWZCMVARUGWIHD-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000358710508 445734289 /nfs/dbraw/zinc/73/42/89/445734289.db2.gz SLBJPJWYOTZSEU-HNNXBMFYSA-N 2 0 328.501 1.110 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@H]2CCc3nccn3C2)C[C@@H](C)O1 ZINC000363266771 445747280 /nfs/dbraw/zinc/74/72/80/445747280.db2.gz WCJSVXTUKWZKLH-KFWWJZLASA-N 2 0 334.464 1.450 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000363312411 445762144 /nfs/dbraw/zinc/76/21/44/445762144.db2.gz KVJBYPVVLIXZCC-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000350167903 445784448 /nfs/dbraw/zinc/78/44/48/445784448.db2.gz XPRBFYCDLOVUCM-QGZVFWFLSA-N 2 0 348.535 1.393 20 0 EDADRP O=C1[C@@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCN1C1CC1 ZINC000356439656 445791373 /nfs/dbraw/zinc/79/13/73/445791373.db2.gz ZKJYMMVGOCKDQI-SFHVURJKSA-N 2 0 335.492 1.574 20 0 EDADRP C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356459287 445801655 /nfs/dbraw/zinc/80/16/55/445801655.db2.gz OARQOGFFROTOLH-BZUAXINKSA-N 2 0 348.491 1.900 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000354002616 445847719 /nfs/dbraw/zinc/84/77/19/445847719.db2.gz OGIVDGPSRWWZQI-OAHLLOKOSA-N 2 0 332.448 1.475 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000363556309 445857393 /nfs/dbraw/zinc/85/73/93/445857393.db2.gz ATQXHOIQXMSRGR-RCCFBDPRSA-N 2 0 334.508 1.844 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000363556822 445857902 /nfs/dbraw/zinc/85/79/02/445857902.db2.gz FJDWRFQUUNSLGT-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000350732060 445890933 /nfs/dbraw/zinc/89/09/33/445890933.db2.gz JEFJTWDJAZKEOZ-HNNXBMFYSA-N 2 0 328.501 1.251 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000350749440 445896549 /nfs/dbraw/zinc/89/65/49/445896549.db2.gz UTRLSBUKCBCZRT-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C1 ZINC000364380724 445916561 /nfs/dbraw/zinc/91/65/61/445916561.db2.gz UDJOJVHCFZPMSV-WKULXVSPSA-N 2 0 334.508 1.841 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCc2nc[nH]c21 ZINC000366000558 445954299 /nfs/dbraw/zinc/95/42/99/445954299.db2.gz MDIYZQJWOAPRLM-HNNXBMFYSA-N 2 0 335.496 1.562 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000582653457 325894605 /nfs/dbraw/zinc/89/46/05/325894605.db2.gz ARXWFYCOMNGPIF-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224704 446021360 /nfs/dbraw/zinc/02/13/60/446021360.db2.gz OSZODRDVIDNDGK-YJBOKZPZSA-N 2 0 336.524 1.534 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000356797351 446030194 /nfs/dbraw/zinc/03/01/94/446030194.db2.gz YXTHGNRPGYOQLA-QGZVFWFLSA-N 2 0 346.519 1.893 20 0 EDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888789 446042693 /nfs/dbraw/zinc/04/26/93/446042693.db2.gz RFJRCBLXYAOVRG-OJAHFUOMSA-N 2 0 331.504 1.799 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000583075067 325993763 /nfs/dbraw/zinc/99/37/63/325993763.db2.gz XQKZVYOKGRDLIM-MJGOQNOKSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583742707 326129648 /nfs/dbraw/zinc/12/96/48/326129648.db2.gz UYAQQYLVWNFZMR-KBAYOESNSA-N 2 0 330.476 1.806 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000583807564 326143630 /nfs/dbraw/zinc/14/36/30/326143630.db2.gz QPCWQZQUOHGOPP-SJLPKXTDSA-N 2 0 334.460 1.950 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000356895059 446103290 /nfs/dbraw/zinc/10/32/90/446103290.db2.gz YKSLBWDZIKGJSK-IAGOWNOFSA-N 2 0 345.491 1.145 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000359280171 446115848 /nfs/dbraw/zinc/11/58/48/446115848.db2.gz WPRKSUPWQUOFNF-OWCLPIDISA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000369439678 446122265 /nfs/dbraw/zinc/12/22/65/446122265.db2.gz WQQGTYPIAVTLCI-NXHRZFHOSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC[N@@H+]1C ZINC000373369878 446185432 /nfs/dbraw/zinc/18/54/32/446185432.db2.gz PHPKMRFAEFGFOG-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369662659 446143003 /nfs/dbraw/zinc/14/30/03/446143003.db2.gz HUQSCVIWMSZYPM-OAHLLOKOSA-N 2 0 348.495 2.146 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000359318469 446146927 /nfs/dbraw/zinc/14/69/27/446146927.db2.gz NRUIKPYCGUCFTJ-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[C@H]1c1cccc(Cl)c1 ZINC000365333929 446152950 /nfs/dbraw/zinc/15/29/50/446152950.db2.gz ZCRSDJHLCJERTE-SLBVQIDZSA-N 2 0 337.851 1.172 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC3(CCC3)C2)C1 ZINC000373404649 446204081 /nfs/dbraw/zinc/20/40/81/446204081.db2.gz LUDNVJIDIAOYFO-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP COc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000359566691 446294600 /nfs/dbraw/zinc/29/46/00/446294600.db2.gz ZDINVHDJMJMZMV-UHFFFAOYSA-N 2 0 345.403 1.020 20 0 EDADRP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000366589926 446271656 /nfs/dbraw/zinc/27/16/56/446271656.db2.gz GSCDCHQXUHUMLY-QWHCGFSZSA-N 2 0 335.370 1.614 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H](O)CCOCC)CC2)CC1 ZINC000365635652 446282633 /nfs/dbraw/zinc/28/26/33/446282633.db2.gz PSRNJMNINXXCQZ-GOSISDBHSA-N 2 0 327.513 1.266 20 0 EDADRP CCOCC[C@@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365636251 446282899 /nfs/dbraw/zinc/28/28/99/446282899.db2.gz RJEYINCIVAONHG-ZIFCJYIRSA-N 2 0 342.524 1.985 20 0 EDADRP COCCCN(C(=O)C[N@H+](C)[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000362345654 446328077 /nfs/dbraw/zinc/32/80/77/446328077.db2.gz OAHKXZXLSXBLEZ-MRXNPFEDSA-N 2 0 343.537 1.383 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417328228 446344934 /nfs/dbraw/zinc/34/49/34/446344934.db2.gz IFHNACZDOZDBSL-QGZVFWFLSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000417364419 446350235 /nfs/dbraw/zinc/35/02/35/446350235.db2.gz MUDAZNXDZYDMEW-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP CC1(C)CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000417510621 446357788 /nfs/dbraw/zinc/35/77/88/446357788.db2.gz XLYGDFFHEPVOLB-SFHVURJKSA-N 2 0 344.503 1.944 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511378 446358021 /nfs/dbraw/zinc/35/80/21/446358021.db2.gz YXYGDAUOCDMIEH-CEXWTWQISA-N 2 0 344.503 1.978 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417510613 446358281 /nfs/dbraw/zinc/35/82/81/446358281.db2.gz XKSWXVJIJWIVPE-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP CCCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000417546207 446363578 /nfs/dbraw/zinc/36/35/78/446363578.db2.gz LTQXHKMOXJTHSA-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417648040 446368661 /nfs/dbraw/zinc/36/86/61/446368661.db2.gz GTHGTDYLKBFPLA-KURKYZTESA-N 2 0 328.460 1.654 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)[C@H](C)C1 ZINC000417673676 446369749 /nfs/dbraw/zinc/36/97/49/446369749.db2.gz XEPFXQJBJQDFOH-QZWWFDLISA-N 2 0 340.512 1.502 20 0 EDADRP CNC(=O)NC(=O)C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370650486 446373735 /nfs/dbraw/zinc/37/37/35/446373735.db2.gz MCIBTKKEXXCETP-UHFFFAOYSA-N 2 0 344.459 1.430 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000365891238 446390812 /nfs/dbraw/zinc/39/08/12/446390812.db2.gz QPSYXJYKWSEFGA-NXHRZFHOSA-N 2 0 337.508 1.724 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000417946021 446394723 /nfs/dbraw/zinc/39/47/23/446394723.db2.gz YLWJGUSKOWMVIE-YESZJQIVSA-N 2 0 340.512 1.645 20 0 EDADRP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420255529 446434541 /nfs/dbraw/zinc/43/45/41/446434541.db2.gz SZNZSFSCTUUWJE-ZDUSSCGKSA-N 2 0 330.407 1.866 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000423137710 446436671 /nfs/dbraw/zinc/43/66/71/446436671.db2.gz WYFALCXFNPDTRK-GOSISDBHSA-N 2 0 340.512 1.010 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000418138612 446442348 /nfs/dbraw/zinc/44/23/48/446442348.db2.gz JJKJTJURKLUGGE-MSOLQXFVSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418181203 446449428 /nfs/dbraw/zinc/44/94/28/446449428.db2.gz KZHSJTFFPUQNGY-XOYOTBSWSA-N 2 0 330.476 1.929 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@@H]43)C2)CC1 ZINC000366907170 446407205 /nfs/dbraw/zinc/40/72/05/446407205.db2.gz AXDWNMJCRIFGJY-ROUUACIJSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417985505 446407731 /nfs/dbraw/zinc/40/77/31/446407731.db2.gz FKVMWLSSBFTDCU-VVLHAWIVSA-N 2 0 334.508 1.890 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000423197900 446451666 /nfs/dbraw/zinc/45/16/66/446451666.db2.gz BWFZGEIQISVZDM-HNNXBMFYSA-N 3 0 325.497 1.949 20 0 EDADRP COC(=O)c1cc2cc(CN(C)CC(=O)N3CC[NH2+]CC3)ccc2o1 ZINC000420287977 446452096 /nfs/dbraw/zinc/45/20/96/446452096.db2.gz GWIJUBHJAXOPQX-UHFFFAOYSA-N 2 0 345.399 1.083 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000376312388 446424025 /nfs/dbraw/zinc/42/40/25/446424025.db2.gz UKXWQIJZBHBJDZ-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CCCNC(=O)C1CC[NH+](C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000420297405 446458826 /nfs/dbraw/zinc/45/88/26/446458826.db2.gz DDCCQDRPAJUFQP-KRWDZBQOSA-N 2 0 333.476 1.976 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000367013547 446461523 /nfs/dbraw/zinc/46/15/23/446461523.db2.gz AKJUWYFDWLJJCY-JKSUJKDBSA-N 2 0 331.526 1.464 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420299723 446462023 /nfs/dbraw/zinc/46/20/23/446462023.db2.gz BLUIYEDBHNFULP-GJZGRUSLSA-N 2 0 333.432 1.252 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311990 446475930 /nfs/dbraw/zinc/47/59/30/446475930.db2.gz HKKBXLYLPVSCHZ-MNOVXSKESA-N 2 0 331.399 1.506 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000423300714 446477468 /nfs/dbraw/zinc/47/74/68/446477468.db2.gz FALMQJXPUILTGA-MRXNPFEDSA-N 2 0 342.447 1.021 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH2+]C2CC2)C[C@H]1CC ZINC000418290499 446485805 /nfs/dbraw/zinc/48/58/05/446485805.db2.gz RUSCNQWKSPKDDY-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@]12C[C@H]1CC[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000423324925 446487343 /nfs/dbraw/zinc/48/73/43/446487343.db2.gz LCKGHELUZAKLGQ-HBFSDRIKSA-N 2 0 327.472 1.938 20 0 EDADRP COc1cccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420326698 446493754 /nfs/dbraw/zinc/49/37/54/446493754.db2.gz KJZWLLHUIOFLBJ-OAHLLOKOSA-N 2 0 347.459 1.711 20 0 EDADRP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000420334276 446504634 /nfs/dbraw/zinc/50/46/34/446504634.db2.gz GQVVRAJUHPESAZ-INIZCTEOSA-N 2 0 330.476 1.192 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2CC[NH2+][C@H](C)C2)CC1 ZINC000420336208 446506075 /nfs/dbraw/zinc/50/60/75/446506075.db2.gz LRRSUAOYVMLVAJ-GOSISDBHSA-N 2 0 344.503 1.323 20 0 EDADRP COC(=O)c1ccccc1OCC[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335430 446506791 /nfs/dbraw/zinc/50/67/91/446506791.db2.gz UXMMYUBYKGTZFA-OAHLLOKOSA-N 2 0 348.443 1.539 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@@H+]1C[C@H](C)O ZINC000423383528 446510790 /nfs/dbraw/zinc/51/07/90/446510790.db2.gz JMHLFAAMQWPGJJ-DOTOQJQBSA-N 2 0 333.476 1.366 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000418350899 446510841 /nfs/dbraw/zinc/51/08/41/446510841.db2.gz TUIKDLSLHZXCPG-LESCRADOSA-N 2 0 348.491 1.985 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@H](C)CC[NH2+]2)CC1 ZINC000423398171 446516535 /nfs/dbraw/zinc/51/65/35/446516535.db2.gz UCMSTHPNNRBBIM-ZJPYXAASSA-N 2 0 336.524 1.392 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391435 446514255 /nfs/dbraw/zinc/51/42/55/446514255.db2.gz PLJQAMKPWPYXPA-STQMWFEESA-N 2 0 338.418 1.059 20 0 EDADRP C[NH2+]CCNC(=O)N(C)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418325713 446498278 /nfs/dbraw/zinc/49/82/78/446498278.db2.gz JYDZWRKUZQSPRX-IRXDYDNUSA-N 2 0 339.528 1.184 20 0 EDADRP Cc1ccc([C@H](CNC(=O)COC2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000423396420 446516057 /nfs/dbraw/zinc/51/60/57/446516057.db2.gz NVJUSYUWRMBFNT-INIZCTEOSA-N 2 0 335.448 1.610 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420383522 446558896 /nfs/dbraw/zinc/55/88/96/446558896.db2.gz QWYAFUNLMZPWIZ-AEFFLSMTSA-N 2 0 325.497 1.853 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423527846 446562977 /nfs/dbraw/zinc/56/29/77/446562977.db2.gz WCNLRDBMDRIXMA-DOIPELPJSA-N 3 0 342.531 1.780 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423404695 446520157 /nfs/dbraw/zinc/52/01/57/446520157.db2.gz XOWZMNSHWKDLQB-QGZVFWFLSA-N 2 0 333.480 1.802 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000376479325 446520705 /nfs/dbraw/zinc/52/07/05/446520705.db2.gz SLTPYOSPSFUKTH-MRXNPFEDSA-N 2 0 334.508 1.146 20 0 EDADRP CCOC(=O)c1[nH]c(C)c(C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420346699 446521096 /nfs/dbraw/zinc/52/10/96/446521096.db2.gz XFOPVYYHIVVCKA-GASCZTMLSA-N 2 0 347.459 1.922 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420346773 446521668 /nfs/dbraw/zinc/52/16/68/446521668.db2.gz DNTZRJKXZVZURN-XYJFISCASA-N 2 0 330.476 1.232 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418380707 446522327 /nfs/dbraw/zinc/52/23/27/446522327.db2.gz LPMIHRIUAHPKIP-QGZVFWFLSA-N 2 0 340.512 1.382 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)COC3CC[NH2+]CC3)cc21 ZINC000423416896 446524661 /nfs/dbraw/zinc/52/46/61/446524661.db2.gz DQNOMMDPGDDNGL-UHFFFAOYSA-N 2 0 344.459 1.910 20 0 EDADRP COC[C@]1(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423421238 446528448 /nfs/dbraw/zinc/52/84/48/446528448.db2.gz XUTTUVNXVZASGF-CEXWTWQISA-N 2 0 333.476 1.847 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C[C@@H]1CC ZINC000418409920 446532412 /nfs/dbraw/zinc/53/24/12/446532412.db2.gz OCQZNRAPJAFOFY-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000433165511 446540137 /nfs/dbraw/zinc/54/01/37/446540137.db2.gz VDRBGQRPKWYIRN-SFHVURJKSA-N 2 0 332.492 1.778 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000433166054 446541214 /nfs/dbraw/zinc/54/12/14/446541214.db2.gz DUTYPEKFFPCUID-UHFFFAOYSA-N 2 0 344.459 1.955 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000420363231 446543170 /nfs/dbraw/zinc/54/31/70/446543170.db2.gz BMFNEDNNWOVNOW-KRWDZBQOSA-N 2 0 343.537 1.703 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418500516 446567950 /nfs/dbraw/zinc/56/79/50/446567950.db2.gz PXTGBBLDMJQCIH-SJLPKXTDSA-N 2 0 330.476 1.887 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423476701 446552716 /nfs/dbraw/zinc/55/27/16/446552716.db2.gz JIOCFFQBLNLIHB-YOEHRIQHSA-N 2 0 337.489 1.833 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423490668 446553428 /nfs/dbraw/zinc/55/34/28/446553428.db2.gz XWXUMYJDVXHWPF-DZGCQCFKSA-N 2 0 325.478 1.778 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000418465892 446553854 /nfs/dbraw/zinc/55/38/54/446553854.db2.gz DCMUEKPQYCMZET-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C[NH+]1CCCC1 ZINC000433334855 446555864 /nfs/dbraw/zinc/55/58/64/446555864.db2.gz NAJLZOHOJFGDNZ-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423504679 446556108 /nfs/dbraw/zinc/55/61/08/446556108.db2.gz GEDKSBHFBSUCSD-XJKCOSOUSA-N 2 0 325.478 1.572 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000420439813 446615183 /nfs/dbraw/zinc/61/51/83/446615183.db2.gz GKIJIYNFTHRBCT-CYBMUJFWSA-N 2 0 333.404 1.024 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CC[NH+]3CCC2CC3)ccn1 ZINC000375160453 446616476 /nfs/dbraw/zinc/61/64/76/446616476.db2.gz PVIBRGXUKKMILP-UHFFFAOYSA-N 2 0 347.463 1.012 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396877 446570504 /nfs/dbraw/zinc/57/05/04/446570504.db2.gz WQBBDIYHDMHLIV-BHYGNILZSA-N 2 0 325.497 1.900 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418569074 446597741 /nfs/dbraw/zinc/59/77/41/446597741.db2.gz PFHXOTVJWKTUBS-LSDHHAIUSA-N 2 0 326.485 1.399 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434356596 446639481 /nfs/dbraw/zinc/63/94/81/446639481.db2.gz XGODSZOZRFRGDK-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP COc1c(C)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C ZINC000420464875 446641438 /nfs/dbraw/zinc/64/14/38/446641438.db2.gz YFELEJBDEAQUBN-UHFFFAOYSA-N 2 0 329.466 1.000 20 0 EDADRP [NH3+]C1(CNS(=O)(=O)c2ccco2)CCN(Cc2ccccc2)CC1 ZINC000420466352 446643458 /nfs/dbraw/zinc/64/34/58/446643458.db2.gz ATFAHVRHYSUOAM-UHFFFAOYSA-N 2 0 349.456 1.551 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418683214 446647182 /nfs/dbraw/zinc/64/71/82/446647182.db2.gz JOJZFUNBEHVKFA-ZWKOTPCHSA-N 2 0 330.476 1.868 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418738305 446662742 /nfs/dbraw/zinc/66/27/42/446662742.db2.gz XAWRCNUBHZFECJ-IXDOHACOSA-N 2 0 340.512 1.646 20 0 EDADRP Cc1cc(N)cc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000418743927 446665497 /nfs/dbraw/zinc/66/54/97/446665497.db2.gz KRGZFQGWTULTCW-UHFFFAOYSA-N 2 0 349.523 1.992 20 0 EDADRP COCC1(CNC(=O)N(C)CCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000418642357 446628461 /nfs/dbraw/zinc/62/84/61/446628461.db2.gz RNAPRGSBUDDADF-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP CN([C@H](C(N)=O)c1ccc(F)cc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371258703 446720214 /nfs/dbraw/zinc/72/02/14/446720214.db2.gz PLCFTFYXYDBBJB-MSOLQXFVSA-N 2 0 348.466 1.452 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000376793745 446723096 /nfs/dbraw/zinc/72/30/96/446723096.db2.gz ISUYBEDKZFTSEP-LJQANCHMSA-N 2 0 339.524 1.973 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000376806156 446731273 /nfs/dbraw/zinc/73/12/73/446731273.db2.gz ZZOOWHCDGANXSO-SFHVURJKSA-N 2 0 330.476 1.857 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000423751665 446681741 /nfs/dbraw/zinc/68/17/41/446681741.db2.gz ZCNZLBXHZNPZKX-SFHVURJKSA-N 2 0 333.476 1.851 20 0 EDADRP C[C@@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000423751674 446682409 /nfs/dbraw/zinc/68/24/09/446682409.db2.gz VJCFDUKWCAZZKR-DOTOQJQBSA-N 2 0 325.497 1.581 20 0 EDADRP CCO[C@@H]1C[C@@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C12CCC2 ZINC000423893089 446747310 /nfs/dbraw/zinc/74/73/10/446747310.db2.gz CULHPSZZHBWYCE-IAGOWNOFSA-N 2 0 337.508 1.996 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000423901393 446751694 /nfs/dbraw/zinc/75/16/94/446751694.db2.gz TYFKYQBYFATLKD-WSTZPKSXSA-N 2 0 343.471 1.948 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423926239 446776043 /nfs/dbraw/zinc/77/60/43/446776043.db2.gz CZDRQLVSUDIFRT-YQQAZPJKSA-N 2 0 335.496 1.635 20 0 EDADRP O=C(CCC1CC[NH2+]CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000371351826 446798308 /nfs/dbraw/zinc/79/83/08/446798308.db2.gz VUCYWHFUMMPCAB-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000418935157 446810462 /nfs/dbraw/zinc/81/04/62/446810462.db2.gz GMHYYHLPNULZDX-NVXWUHKLSA-N 2 0 346.475 1.011 20 0 EDADRP [NH3+]C1(CNC(=O)c2ccc(F)cn2)CC[NH+](Cc2ccccc2)CC1 ZINC000424016128 446823409 /nfs/dbraw/zinc/82/34/09/446823409.db2.gz BOCISRGVTUXUKB-UHFFFAOYSA-N 2 0 342.418 1.944 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424055375 446831538 /nfs/dbraw/zinc/83/15/38/446831538.db2.gz DPIJBFVZMZLUPA-AWEZNQCLSA-N 2 0 328.420 1.564 20 0 EDADRP Cn1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c([C@H]2CCC[NH2+]C2)n1 ZINC000424074730 446841874 /nfs/dbraw/zinc/84/18/74/446841874.db2.gz HTSAOIWVRQTPKP-AWEZNQCLSA-N 2 0 339.443 1.785 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+]2CCC1CC2 ZINC000376928653 446802263 /nfs/dbraw/zinc/80/22/63/446802263.db2.gz CUECJYMBTQBKDG-UHFFFAOYSA-N 2 0 343.475 1.788 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424132575 446859910 /nfs/dbraw/zinc/85/99/10/446859910.db2.gz KYDGATGCCRWAGR-OWCLPIDISA-N 2 0 348.495 1.300 20 0 EDADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412118956 446869444 /nfs/dbraw/zinc/86/94/44/446869444.db2.gz CCBPQHGMQGBOIX-FGTMMUONSA-N 3 0 340.556 1.980 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])c1 ZINC000419017787 446869494 /nfs/dbraw/zinc/86/94/94/446869494.db2.gz HGRGMOPJFATOAO-UHFFFAOYSA-N 2 0 348.491 1.198 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000424483760 446881549 /nfs/dbraw/zinc/88/15/49/446881549.db2.gz ZFFKOKHQVPUJHJ-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1Cc1cccc(CN2CCOCC2)c1 ZINC000420960388 446930975 /nfs/dbraw/zinc/93/09/75/446930975.db2.gz GTXVYZAKYFQHPJ-QZTJIDSGSA-N 2 0 347.503 1.406 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000420972833 446943639 /nfs/dbraw/zinc/94/36/39/446943639.db2.gz BIDSGQIYHMCEDB-UHFFFAOYSA-N 2 0 344.503 1.778 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000371692412 446948437 /nfs/dbraw/zinc/94/84/37/446948437.db2.gz JAZRUJHXRWYKPF-MRXNPFEDSA-N 2 0 336.524 1.536 20 0 EDADRP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442751657 446951099 /nfs/dbraw/zinc/95/10/99/446951099.db2.gz CUEPDFJTTIDOSA-OFQRWUPVSA-N 2 0 349.475 1.420 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2Cc3[nH]c4ccccc4c3C2)C1 ZINC000442776110 446962766 /nfs/dbraw/zinc/96/27/66/446962766.db2.gz BJENHMZSWDXWDS-HUUCEWRRSA-N 2 0 340.471 1.812 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442784963 446966971 /nfs/dbraw/zinc/96/69/71/446966971.db2.gz SRDVMOVKPWUOFB-KCQAQPDRSA-N 2 0 337.439 1.850 20 0 EDADRP O=C(Nc1c[nH+]ccc1-n1ccnc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000372103679 447003396 /nfs/dbraw/zinc/00/33/96/447003396.db2.gz TWBHXVDOWBDHCO-YHWZYXNKSA-N 3 0 325.372 1.021 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444180961 447090773 /nfs/dbraw/zinc/09/07/73/447090773.db2.gz HQFCBBGJTBYGGZ-UYAOXDASSA-N 2 0 343.471 1.777 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568286 447147693 /nfs/dbraw/zinc/14/76/93/447147693.db2.gz GPJRUDVVYMJPJJ-FCEWJHQRSA-N 2 0 329.444 1.803 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1Cc2ccccc2N(C)C1 ZINC000372569280 447149508 /nfs/dbraw/zinc/14/95/08/447149508.db2.gz BHZIAHYXBFSIQH-DOTOQJQBSA-N 2 0 329.492 1.893 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419410115 447158217 /nfs/dbraw/zinc/15/82/17/447158217.db2.gz AIOJKTDFDYSDTI-IRXDYDNUSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)ccc2oc1=O ZINC000368813221 447126707 /nfs/dbraw/zinc/12/67/07/447126707.db2.gz DKZUIBQVJNPKFA-FZKQIMNGSA-N 2 0 344.415 1.094 20 0 EDADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@@H](O)C[C@H]2C1 ZINC000425527789 447212904 /nfs/dbraw/zinc/21/29/04/447212904.db2.gz NYOQYKTVFLDPGS-KOGWCRERSA-N 2 0 336.520 1.951 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000368991572 447250960 /nfs/dbraw/zinc/25/09/60/447250960.db2.gz JSIVAXOPEJFKTL-DLBZAZTESA-N 2 0 338.496 1.272 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419485374 447216433 /nfs/dbraw/zinc/21/64/33/447216433.db2.gz VIWDQINWIGWDAH-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000368966770 447232958 /nfs/dbraw/zinc/23/29/58/447232958.db2.gz RDCABNQIGFOCIM-QGZVFWFLSA-N 2 0 345.487 1.811 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414309497 447290706 /nfs/dbraw/zinc/29/07/06/447290706.db2.gz RVTZHQOIBWUKMA-IEBWSBKVSA-N 2 0 331.504 1.943 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000425671433 447262141 /nfs/dbraw/zinc/26/21/41/447262141.db2.gz TWGTWKYJGGLPEN-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2C)C[C@@H]1C ZINC000447233404 447269328 /nfs/dbraw/zinc/26/93/28/447269328.db2.gz ZJLIXEHHOZFXOU-ZFWWWQNUSA-N 2 0 332.448 1.968 20 0 EDADRP COC[C@]1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981846 447456380 /nfs/dbraw/zinc/45/63/80/447456380.db2.gz PRVVKRUTGJNSPA-HKUYNNGSSA-N 2 0 331.460 1.345 20 0 EDADRP O[C@@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408027 447462642 /nfs/dbraw/zinc/46/26/42/447462642.db2.gz BZAJOJMVENLKFH-PMACEKPBSA-N 2 0 331.504 1.945 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458730443 447466248 /nfs/dbraw/zinc/46/62/48/447466248.db2.gz FVFVLBVLXPPSPA-JKSUJKDBSA-N 2 0 340.512 1.253 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]C1 ZINC000389881783 447487156 /nfs/dbraw/zinc/48/71/56/447487156.db2.gz OQOQRKUBTXTOEF-IEZWGBDMSA-N 2 0 331.460 1.249 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390718405 447496269 /nfs/dbraw/zinc/49/62/69/447496269.db2.gz YSERPZXXUMCGHT-OALUTQOASA-N 2 0 335.492 1.621 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420011471 447545081 /nfs/dbraw/zinc/54/50/81/447545081.db2.gz GVBJAIBNPLMNBS-HOTGVXAUSA-N 2 0 340.512 1.201 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055326 447562085 /nfs/dbraw/zinc/56/20/85/447562085.db2.gz XAQOFFYZWDXBJB-QZTJIDSGSA-N 2 0 331.460 1.521 20 0 EDADRP COc1cc2nc(N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)nc(N)c2cc1OC ZINC000450776726 447571557 /nfs/dbraw/zinc/57/15/57/447571557.db2.gz IFDBGIUSRDRFLT-GXFFZTMASA-N 2 0 329.404 1.370 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495913358 447638862 /nfs/dbraw/zinc/63/88/62/447638862.db2.gz QBSIRCTUSQDCQR-AEFFLSMTSA-N 2 0 336.480 1.133 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457564629 447599635 /nfs/dbraw/zinc/59/96/35/447599635.db2.gz SWFWYSDYHBRTIG-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000404307739 447600887 /nfs/dbraw/zinc/60/08/87/447600887.db2.gz CUOAIGCPSPEXCW-IMBTUZDBSA-N 2 0 345.487 1.875 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](c2cccs2)[NH+](C)C)CCC[NH2+]1 ZINC000416435497 447602280 /nfs/dbraw/zinc/60/22/80/447602280.db2.gz FIGBEODFPIETQY-CJNGLKHVSA-N 2 0 340.493 1.419 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000420119379 447613834 /nfs/dbraw/zinc/61/38/34/447613834.db2.gz IZJWFZMXKHXFFQ-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCC[C@@H](C)C1 ZINC000457695043 447622787 /nfs/dbraw/zinc/62/27/87/447622787.db2.gz CVSXNXOGGXHZSU-IKGGRYGDSA-N 2 0 340.512 1.253 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416823473 447691452 /nfs/dbraw/zinc/69/14/52/447691452.db2.gz YLYBSFWMUMYRAO-UONOGXRCSA-N 2 0 338.452 1.343 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000416850460 447695834 /nfs/dbraw/zinc/69/58/34/447695834.db2.gz ZOHYTMMSKQNQOC-SJORKVTESA-N 2 0 334.464 1.357 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000416890417 447702525 /nfs/dbraw/zinc/70/25/25/447702525.db2.gz LYLYNKYMLKHTLR-KRWDZBQOSA-N 2 0 334.464 1.398 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457909035 447668554 /nfs/dbraw/zinc/66/85/54/447668554.db2.gz ZAQMAKWUQJIRFL-MRXNPFEDSA-N 2 0 340.512 1.395 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000422623428 447675146 /nfs/dbraw/zinc/67/51/46/447675146.db2.gz VOAAMJSCXDENPS-QGZVFWFLSA-N 2 0 348.491 1.704 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000495960872 447677050 /nfs/dbraw/zinc/67/70/50/447677050.db2.gz OTUAXKVVLKEDKN-MRXNPFEDSA-N 2 0 335.448 1.506 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000416942353 447718717 /nfs/dbraw/zinc/71/87/17/447718717.db2.gz KVLNWIAGDVJOBZ-QKPAOTATSA-N 2 0 326.485 1.173 20 0 EDADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](C)O ZINC000458102032 447719803 /nfs/dbraw/zinc/71/98/03/447719803.db2.gz IJUYNNJUPNFDNS-DOTOQJQBSA-N 2 0 349.479 1.052 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422707871 447723035 /nfs/dbraw/zinc/72/30/35/447723035.db2.gz IFWCOIFIVNUDHE-DBVUQKKJSA-N 3 0 346.519 1.276 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000429045218 447724008 /nfs/dbraw/zinc/72/40/08/447724008.db2.gz SJWVQIDELKOANQ-SFHVURJKSA-N 2 0 346.475 1.282 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417026254 447731321 /nfs/dbraw/zinc/73/13/21/447731321.db2.gz ABFQGQRDANFHKE-GVDBMIGSSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417088377 447734076 /nfs/dbraw/zinc/73/40/76/447734076.db2.gz KHPHVHFVWLBQMC-KRWDZBQOSA-N 2 0 330.476 1.827 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000417221447 447737480 /nfs/dbraw/zinc/73/74/80/447737480.db2.gz NMPWCFGUDVBRKS-NVXWUHKLSA-N 2 0 334.464 1.357 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)ccn1 ZINC000458212148 447746648 /nfs/dbraw/zinc/74/66/48/447746648.db2.gz LWAHBTKLMZSDOY-HNNXBMFYSA-N 2 0 334.464 1.484 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422795042 447752515 /nfs/dbraw/zinc/75/25/15/447752515.db2.gz ZMEWPMZGITVNMB-QZTJIDSGSA-N 2 0 331.460 1.666 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1cccc(OC(F)(F)F)c1)C1C[NH2+]C1 ZINC000422800198 447753174 /nfs/dbraw/zinc/75/31/74/447753174.db2.gz ZNQJVRHCLNGNQB-YPMHNXCESA-N 2 0 332.366 1.934 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422840859 447765798 /nfs/dbraw/zinc/76/57/98/447765798.db2.gz CGOZEOKMYPGGKY-ZWKOTPCHSA-N 2 0 333.476 1.564 20 0 EDADRP COC1CCC([N@H+](C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496358882 447759315 /nfs/dbraw/zinc/75/93/15/447759315.db2.gz LDKXVIFHKMOKKN-LEOMRAHMSA-N 2 0 337.464 1.750 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385709 447761877 /nfs/dbraw/zinc/76/18/77/447761877.db2.gz UGTMEIBOZSPWGK-VKJFTORMSA-N 2 0 341.496 1.678 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844354 447767521 /nfs/dbraw/zinc/76/75/21/447767521.db2.gz LNUTUQGFDYJAKX-FUHWJXTLSA-N 2 0 330.476 1.442 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000458318734 447768265 /nfs/dbraw/zinc/76/82/65/447768265.db2.gz CNZZZEABBXJKHO-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)CC[NH2+]CC1 ZINC000422957845 447780909 /nfs/dbraw/zinc/78/09/09/447780909.db2.gz OGSBSGAPAKROCH-LSDHHAIUSA-N 2 0 336.480 1.739 20 0 EDADRP Cc1ccccc1CCNC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430591999 447781449 /nfs/dbraw/zinc/78/14/49/447781449.db2.gz LKPLDDWYCZDYCN-QGZVFWFLSA-N 2 0 347.503 1.872 20 0 EDADRP CCNC(=O)C(C)(C)C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422964110 447782949 /nfs/dbraw/zinc/78/29/49/447782949.db2.gz HUTSPSSNJRBYRL-ZDUSSCGKSA-N 2 0 327.469 1.060 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)CC[NH2+]CC1 ZINC000422970216 447783878 /nfs/dbraw/zinc/78/38/78/447783878.db2.gz VWFAJNRSFIUPFK-GJZGRUSLSA-N 2 0 334.464 1.672 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970422 447784213 /nfs/dbraw/zinc/78/42/13/447784213.db2.gz WOAFYIYDLOFXKC-HIEASXQVSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC[C@@H]1[NH3+] ZINC000430969567 447787720 /nfs/dbraw/zinc/78/77/20/447787720.db2.gz FQXFAKJYHVMLJP-YOEHRIQHSA-N 2 0 344.459 1.811 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1C[NH2+]C1 ZINC000431019920 447788923 /nfs/dbraw/zinc/78/89/23/447788923.db2.gz UJKIJPIQDFXHGV-QGZVFWFLSA-N 2 0 331.460 1.345 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423000404 447790181 /nfs/dbraw/zinc/79/01/81/447790181.db2.gz GSWWCCZPZYOXOI-BRWVUGGUSA-N 2 0 348.443 1.729 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462012149 447797881 /nfs/dbraw/zinc/79/78/81/447797881.db2.gz SUOOXTIEZXAFMT-IKGGRYGDSA-N 2 0 342.528 1.593 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000471635473 447806363 /nfs/dbraw/zinc/80/63/63/447806363.db2.gz KDDFKXUXTUSASG-IRXDYDNUSA-N 2 0 334.464 1.309 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423114628 447808401 /nfs/dbraw/zinc/80/84/01/447808401.db2.gz ZSUJYEVEJHYDPX-VHSXEESVSA-N 2 0 337.848 1.473 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522924903 447863857 /nfs/dbraw/zinc/86/38/57/447863857.db2.gz MNTLXTGBEYGQFY-MSOLQXFVSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000487313006 447829064 /nfs/dbraw/zinc/82/90/64/447829064.db2.gz YJEFCLTXMWOZCP-UHFFFAOYSA-N 2 0 345.285 1.508 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000487330574 447829354 /nfs/dbraw/zinc/82/93/54/447829354.db2.gz FIYGMTKQZXZMMQ-HNNXBMFYSA-N 2 0 333.476 1.665 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(Cc3cn(C)nc3C(F)F)C2)CC1 ZINC000575635401 447877839 /nfs/dbraw/zinc/87/78/39/447877839.db2.gz FJNYRRAVWCFVKC-OAHLLOKOSA-N 2 0 341.450 1.958 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000524366414 447927313 /nfs/dbraw/zinc/92/73/13/447927313.db2.gz ZYGADJNFXIWXBL-ROUUACIJSA-N 2 0 330.476 1.186 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000525307480 447994779 /nfs/dbraw/zinc/99/47/79/447994779.db2.gz CBUUUBXKEVDOOP-SFHVURJKSA-N 2 0 326.481 1.759 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211274 447999269 /nfs/dbraw/zinc/99/92/69/447999269.db2.gz NSGBLBRUEDPUEC-NXHRZFHOSA-N 2 0 346.475 1.327 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497254616 448010023 /nfs/dbraw/zinc/01/00/23/448010023.db2.gz VYRZOJLKGZDVLW-AWEZNQCLSA-N 2 0 339.484 1.405 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000570428569 448012255 /nfs/dbraw/zinc/01/22/55/448012255.db2.gz CCSINDIKAQBVRU-OALUTQOASA-N 2 0 344.503 1.931 20 0 EDADRP C[C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[NH+]1CC(C)C1 ZINC000552980038 447965997 /nfs/dbraw/zinc/96/59/97/447965997.db2.gz KRMUEQFDBZHRSM-GOSISDBHSA-N 2 0 344.503 1.261 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000497276874 448030362 /nfs/dbraw/zinc/03/03/62/448030362.db2.gz OORJOJOZGDEFCD-SJLPKXTDSA-N 2 0 336.480 1.275 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297369 448056368 /nfs/dbraw/zinc/05/63/68/448056368.db2.gz PRSAHMPWEDYRNK-APWZRJJASA-N 2 0 331.460 1.081 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531299904 448057828 /nfs/dbraw/zinc/05/78/28/448057828.db2.gz NDADLERCFVUJFN-AZUAARDMSA-N 2 0 345.487 1.424 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000576511779 448071413 /nfs/dbraw/zinc/07/14/13/448071413.db2.gz LYPWDXFRDRWCHC-APWZRJJASA-N 2 0 337.483 1.592 20 0 EDADRP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CCC(=O)NC(N)=O ZINC000576577431 448087732 /nfs/dbraw/zinc/08/77/32/448087732.db2.gz VHRMQXUOPSBDEN-UHFFFAOYSA-N 2 0 344.415 1.586 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000531482132 448091425 /nfs/dbraw/zinc/09/14/25/448091425.db2.gz LBAOEBVAIJAKTQ-BRWVUGGUSA-N 2 0 340.512 1.515 20 0 EDADRP Cc1nc(N2C[C@@H](C)[NH+](C)C[C@H]2C)cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000525958799 448066512 /nfs/dbraw/zinc/06/65/12/448066512.db2.gz JFTNIOIDAOCQEC-GEEKYZPCSA-N 2 0 346.523 1.843 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000491903770 448148162 /nfs/dbraw/zinc/14/81/62/448148162.db2.gz AKDWIUJUBLKGSR-QBUQCISBSA-N 2 0 345.487 1.666 20 0 EDADRP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@@H]1CCC[NH+]1C1CC1 ZINC000557024298 448176704 /nfs/dbraw/zinc/17/67/04/448176704.db2.gz UQWWYQVDWGWFDE-ROUUACIJSA-N 2 0 329.444 1.819 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000557033112 448177417 /nfs/dbraw/zinc/17/74/17/448177417.db2.gz WPZNMBMEGQDKBJ-OAHLLOKOSA-N 2 0 344.459 1.518 20 0 EDADRP Cn1cc(-c2ncc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)cn2)cn1 ZINC000527512727 448243409 /nfs/dbraw/zinc/24/34/09/448243409.db2.gz OBWBXUBEQOAVJD-NVXWUHKLSA-N 2 0 326.448 1.793 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515405918 448307948 /nfs/dbraw/zinc/30/79/48/448307948.db2.gz NKVXDRLWEHPFHK-SQNIBIBYSA-N 2 0 328.460 1.799 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)Cc1ccc(F)cc1 ZINC000577486114 448310007 /nfs/dbraw/zinc/31/00/07/448310007.db2.gz ATBUFKQRLCDQNH-CQSZACIVSA-N 2 0 344.381 1.554 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000582723643 448322063 /nfs/dbraw/zinc/32/20/63/448322063.db2.gz OKDGPBXXPCTFDX-IEBWSBKVSA-N 2 0 344.503 1.622 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000577385925 448284009 /nfs/dbraw/zinc/28/40/09/448284009.db2.gz JAXUAAWRGNIPQQ-ZWKOTPCHSA-N 2 0 335.492 1.290 20 0 EDADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000527558983 448285122 /nfs/dbraw/zinc/28/51/22/448285122.db2.gz YMJBTKKETQUHMG-SUMDDJOVSA-N 2 0 331.460 1.486 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000577396169 448287318 /nfs/dbraw/zinc/28/73/18/448287318.db2.gz NZJNAUIJMUTNLS-ZMSDIMECSA-N 2 0 346.475 1.182 20 0 EDADRP O=C(CC[NH2+]C1CC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000577410428 448292383 /nfs/dbraw/zinc/29/23/83/448292383.db2.gz AJXUVKIBNSLIDH-UHFFFAOYSA-N 2 0 345.491 1.725 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)COC2 ZINC000532733718 448303398 /nfs/dbraw/zinc/30/33/98/448303398.db2.gz ZNUNUDAKZKNJOU-UHFFFAOYSA-N 2 0 334.464 1.352 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000515810819 448352808 /nfs/dbraw/zinc/35/28/08/448352808.db2.gz IEJKPTMSGXOPMB-SJLPKXTDSA-N 2 0 338.496 1.128 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H](O)[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000527757527 448354433 /nfs/dbraw/zinc/35/44/33/448354433.db2.gz KBOVGRWCGWIAEZ-PMACEKPBSA-N 2 0 347.503 1.847 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000572410152 448372404 /nfs/dbraw/zinc/37/24/04/448372404.db2.gz PLYWEAXWXAUWRK-QUCCMNQESA-N 2 0 342.487 1.192 20 0 EDADRP Cc1c2cc(F)ccc2oc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000583011652 448402100 /nfs/dbraw/zinc/40/21/00/448402100.db2.gz BBELDPOSDRYIBO-OAHLLOKOSA-N 2 0 335.423 1.578 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000577741430 448375245 /nfs/dbraw/zinc/37/52/45/448375245.db2.gz KMNWCBFZTBDZTP-LZWOXQAQSA-N 2 0 338.448 1.264 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000577962345 448428117 /nfs/dbraw/zinc/42/81/17/448428117.db2.gz RETBODRSBGMCLK-KRWDZBQOSA-N 2 0 347.438 1.617 20 0 EDADRP CCOC1CC(O)(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000578004852 448437088 /nfs/dbraw/zinc/43/70/88/448437088.db2.gz AVAYRFPNOHZSAL-ZPGGLAACSA-N 2 0 332.444 1.762 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528283710 448475272 /nfs/dbraw/zinc/47/52/72/448475272.db2.gz CKLGYMNCWRIMLG-SFHVURJKSA-N 2 0 343.475 1.930 20 0 EDADRP O=C1[C@@H]([N@@H+]2CC[C@@H](CN3CCOCC3)C2)CCN1C1CCCCC1 ZINC000528390078 448508929 /nfs/dbraw/zinc/50/89/29/448508929.db2.gz NPGOVZYVIOLLNH-WMZOPIPTSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(CO)ccc3F)C2)CC1 ZINC000528391018 448510327 /nfs/dbraw/zinc/51/03/27/448510327.db2.gz RDFPREVQTRSWKO-GOSISDBHSA-N 2 0 335.467 1.918 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000566786549 448559019 /nfs/dbraw/zinc/55/90/19/448559019.db2.gz QHPJXMAOPWJUAJ-MSOLQXFVSA-N 2 0 346.475 1.410 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000578422988 448540050 /nfs/dbraw/zinc/54/00/50/448540050.db2.gz SXZJHAGQZPNPLW-ZIAGYGMSSA-N 2 0 334.468 1.672 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)CCC[NH+](C)C)cc2)CC1 ZINC000539418469 448611676 /nfs/dbraw/zinc/61/16/76/448611676.db2.gz AQXLZLVTJQXTJC-UHFFFAOYSA-N 2 0 332.492 1.852 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CNC1(c2nc(C)cs2)CCCC1 ZINC000517667546 448602988 /nfs/dbraw/zinc/60/29/88/448602988.db2.gz SXRRGASGGPKPEA-AWEZNQCLSA-N 2 0 327.494 1.750 20 0 EDADRP CN(C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC([NH3+])C1 ZINC000578850352 448651118 /nfs/dbraw/zinc/65/11/18/448651118.db2.gz PGMBVUKEJPPCFO-ABHNRTSZSA-N 2 0 346.475 1.409 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000567278736 448656573 /nfs/dbraw/zinc/65/65/73/448656573.db2.gz IASRKQOWYDQDKI-DJIMGWMZSA-N 2 0 337.489 1.130 20 0 EDADRP Cc1ncc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)c(N)n1 ZINC000573587142 448665175 /nfs/dbraw/zinc/66/51/75/448665175.db2.gz YYHVFJSCDFXDOZ-INIZCTEOSA-N 2 0 325.416 1.648 20 0 EDADRP C[N@H+](CCOc1cccc(C[NH2+]CCC(N)=O)c1)C1CCOCC1 ZINC000573675961 448685784 /nfs/dbraw/zinc/68/57/84/448685784.db2.gz FDPLLPHVBOJMFM-UHFFFAOYSA-N 2 0 335.448 1.141 20 0 EDADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000518514785 448687785 /nfs/dbraw/zinc/68/77/85/448687785.db2.gz VIKQLTZHTXEUOL-GVDBMIGSSA-N 2 0 337.489 1.475 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000541784514 448693823 /nfs/dbraw/zinc/69/38/23/448693823.db2.gz AGDCFFBLFXCNOB-UHFFFAOYSA-N 2 0 336.480 1.720 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000573770262 448705995 /nfs/dbraw/zinc/70/59/95/448705995.db2.gz ZYZOKGUWHZZJJB-JYJNAYRXSA-N 2 0 328.501 1.514 20 0 EDADRP O=C(C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000573793036 448713747 /nfs/dbraw/zinc/71/37/47/448713747.db2.gz IGIBYADOHCOCIB-YOEHRIQHSA-N 2 0 335.423 1.315 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519358827 448762034 /nfs/dbraw/zinc/76/20/34/448762034.db2.gz HALAOZRGKUINJH-ARLBYUKCSA-N 2 0 334.489 1.477 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)CN2C(=O)c3ccccc3C2=O)C1 ZINC000567683662 448736924 /nfs/dbraw/zinc/73/69/24/448736924.db2.gz UKDDUSBFCCKTJW-RRFJBIMHSA-N 2 0 345.443 1.106 20 0 EDADRP CCCOc1ccc(OCCN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cc1 ZINC000567753803 448752330 /nfs/dbraw/zinc/75/23/30/448752330.db2.gz HVAVZSLJJWWUCQ-RHSMWYFYSA-N 2 0 333.432 1.098 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000529283577 448806270 /nfs/dbraw/zinc/80/62/70/448806270.db2.gz PMUYYSABPDKQEX-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000568058053 448809529 /nfs/dbraw/zinc/80/95/29/448809529.db2.gz RPKFUBXDQQMIAX-NXHRZFHOSA-N 2 0 346.475 1.409 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000529301026 448812648 /nfs/dbraw/zinc/81/26/48/448812648.db2.gz SKLQFBVTCMITPW-QZTJIDSGSA-N 2 0 346.475 1.329 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)CC1 ZINC000574031283 448774007 /nfs/dbraw/zinc/77/40/07/448774007.db2.gz NNWXPVAYNARVHO-JIRNRHONSA-N 2 0 328.504 1.848 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000568248702 448845370 /nfs/dbraw/zinc/84/53/70/448845370.db2.gz YBRXXZLOMLSENG-RTBURBONSA-N 3 0 344.503 1.743 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000529309865 448816717 /nfs/dbraw/zinc/81/67/17/448816717.db2.gz YQZWDGPIFDWZAD-WMLDXEAASA-N 2 0 338.496 1.269 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000547463770 448883050 /nfs/dbraw/zinc/88/30/50/448883050.db2.gz IEDVPSAHCVEGHR-IBGZPJMESA-N 2 0 331.460 1.176 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000568371648 448861994 /nfs/dbraw/zinc/86/19/94/448861994.db2.gz ORDGGJPEOJQQMT-OAHLLOKOSA-N 2 0 340.512 1.525 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592493991 448862070 /nfs/dbraw/zinc/86/20/70/448862070.db2.gz YKQDSGXRERELLI-ARFHVFGLSA-N 2 0 338.496 1.568 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000568628248 448897990 /nfs/dbraw/zinc/89/79/90/448897990.db2.gz PQIWAVUWEYSNGY-HZPDHXFCSA-N 2 0 342.528 1.892 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585094 448910622 /nfs/dbraw/zinc/91/06/22/448910622.db2.gz SLLYAXIKDURAEZ-NVXWUHKLSA-N 2 0 331.460 1.746 20 0 EDADRP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+]1CC(C)C1 ZINC000582072116 449005156 /nfs/dbraw/zinc/00/51/56/449005156.db2.gz MNQJZVMYXMZUOZ-XYJFISCASA-N 2 0 347.507 1.602 20 0 EDADRP CN1CCN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)[C@@H](C[NH3+])C1 ZINC000582229427 449042275 /nfs/dbraw/zinc/04/22/75/449042275.db2.gz QZJPJLLQKGWSPO-AWEZNQCLSA-N 2 0 343.435 1.103 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H](C)[NH3+] ZINC000575177739 449054414 /nfs/dbraw/zinc/05/44/14/449054414.db2.gz UREUYTAJBNTKTF-YOEHRIQHSA-N 2 0 333.480 1.069 20 0 EDADRP COc1nc2ccccc2cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000575181133 449055680 /nfs/dbraw/zinc/05/56/80/449055680.db2.gz QBEYSEJICUFJRD-QGZVFWFLSA-N 2 0 326.444 1.723 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[NH2+]C[C@@H]2C(=O)OC)o1 ZINC000592963705 449086540 /nfs/dbraw/zinc/08/65/40/449086540.db2.gz LWMPBTXQETVKDL-CQSZACIVSA-N 2 0 337.420 1.099 20 0 EDADRP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)N1CCOCC1 ZINC000548717036 449089192 /nfs/dbraw/zinc/08/91/92/449089192.db2.gz DTXHZLLJIMCMRY-CVEARBPZSA-N 2 0 325.497 1.866 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530240461 449092531 /nfs/dbraw/zinc/09/25/31/449092531.db2.gz LMTUUUNAACLLMC-GOSISDBHSA-N 2 0 339.524 1.970 20 0 EDADRP CCO[C@@H]1C[N@H+](CCC(=O)NC(=O)Nc2ccccc2)C[C@H]1C[NH3+] ZINC000593737131 449171707 /nfs/dbraw/zinc/17/17/07/449171707.db2.gz NSTXLJAZGPBBFI-UKRRQHHQSA-N 2 0 334.420 1.020 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000593737656 449172301 /nfs/dbraw/zinc/17/23/01/449172301.db2.gz SFONIYYUCJLISL-ZMSDIMECSA-N 2 0 333.432 1.587 20 0 EDADRP CN(C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000604208246 449192356 /nfs/dbraw/zinc/19/23/56/449192356.db2.gz IGPCKRZWIQMCBD-MAUKXSAKSA-N 2 0 349.523 1.033 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)c21 ZINC000595966562 449288146 /nfs/dbraw/zinc/28/81/46/449288146.db2.gz QIHAHGQWSFAOIP-CABCVRRESA-N 2 0 345.491 1.856 20 0 EDADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602089682 449335860 /nfs/dbraw/zinc/33/58/60/449335860.db2.gz PMPMCMAUCGBNEF-AWEZNQCLSA-N 2 0 327.469 1.203 20 0 EDADRP C[NH+](C)C1(C(=O)NC[C@H]2CSCCN2Cc2ccccc2)CC1 ZINC000613993345 449409094 /nfs/dbraw/zinc/40/90/94/449409094.db2.gz OTGSTJTUTIRLEP-INIZCTEOSA-N 2 0 333.501 1.814 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000614067406 449443346 /nfs/dbraw/zinc/44/33/46/449443346.db2.gz SFWJSRFGKZTXIR-MRXNPFEDSA-N 2 0 325.478 1.338 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C[C@@H]1C ZINC000600683167 449490830 /nfs/dbraw/zinc/49/08/30/449490830.db2.gz SIHCVGLOMSEHLI-DARAHFNDSA-N 2 0 335.452 1.270 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)C1CC[NH+](C)CC1 ZINC000606699780 449510141 /nfs/dbraw/zinc/51/01/41/449510141.db2.gz VFTSJGWHGYNITC-MRXNPFEDSA-N 2 0 347.507 1.885 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614435661 449608761 /nfs/dbraw/zinc/60/87/61/449608761.db2.gz KDBPYEXOSJKJAB-MRXNPFEDSA-N 2 0 328.416 1.661 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](OC)C3CCOCC3)C2)CC1 ZINC000602464796 449611701 /nfs/dbraw/zinc/61/17/01/449611701.db2.gz NGRJWWRRCGPCQS-ROUUACIJSA-N 2 0 325.497 1.140 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000594698801 449631043 /nfs/dbraw/zinc/63/10/43/449631043.db2.gz GSUYBBIJXZANNW-QZTJIDSGSA-N 2 0 330.476 1.752 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000602600902 449697583 /nfs/dbraw/zinc/69/75/83/449697583.db2.gz ICVWZIPWWYICJP-AWEZNQCLSA-N 2 0 333.480 1.666 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1F ZINC000597044432 449782394 /nfs/dbraw/zinc/78/23/94/449782394.db2.gz XQHLGSJXMSSPHF-UHFFFAOYSA-N 2 0 337.439 1.728 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597049149 449784333 /nfs/dbraw/zinc/78/43/33/449784333.db2.gz FPZHWUYRTKTAQA-UHFFFAOYSA-N 2 0 337.464 1.882 20 0 EDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000595015143 449842101 /nfs/dbraw/zinc/84/21/01/449842101.db2.gz XKSDUTFNZSUUAO-OAHLLOKOSA-N 2 0 327.513 1.970 20 0 EDADRP Cn1ccnc1C[C@H](NC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000608615592 449887787 /nfs/dbraw/zinc/88/77/87/449887787.db2.gz AXYUKLKWZOXOFW-INIZCTEOSA-N 2 0 329.448 1.955 20 0 EDADRP Cn1ccnc1C[C@@H](NC(=O)NCCC[NH+](C)C)c1ccccc1 ZINC000608615593 449888096 /nfs/dbraw/zinc/88/80/96/449888096.db2.gz AXYUKLKWZOXOFW-MRXNPFEDSA-N 2 0 329.448 1.955 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@]3(C)CC[NH2+]C3)CCCC2)CC1 ZINC000612878471 449922137 /nfs/dbraw/zinc/92/21/37/449922137.db2.gz JDHSKDPLDWWTTO-KRWDZBQOSA-N 2 0 338.496 1.461 20 0 EDADRP COC(=O)CC[N@@H+]1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C)C1 ZINC000595419975 450130497 /nfs/dbraw/zinc/13/04/97/450130497.db2.gz BYIFHKVHQLMMEG-ZACQAIPSSA-N 2 0 325.497 1.534 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000613582957 450234378 /nfs/dbraw/zinc/23/43/78/450234378.db2.gz NESACOWZYHCZFW-IBGZPJMESA-N 2 0 347.503 1.372 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000618555751 450242809 /nfs/dbraw/zinc/24/28/09/450242809.db2.gz FURDSFKEYFRPNA-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625835027 450517846 /nfs/dbraw/zinc/51/78/46/450517846.db2.gz RNIPSARBGIKYFU-GOSISDBHSA-N 2 0 325.497 1.508 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC000620971384 450567500 /nfs/dbraw/zinc/56/75/00/450567500.db2.gz HYJRDNVHNWEGNS-MSOLQXFVSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CCO1 ZINC000620979594 450568996 /nfs/dbraw/zinc/56/89/96/450568996.db2.gz HRWZLSHAAMYJTI-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000633031349 450626486 /nfs/dbraw/zinc/62/64/86/450626486.db2.gz KAFMLIBAGANDPV-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)CC(C)C ZINC000627325139 450649494 /nfs/dbraw/zinc/64/94/94/450649494.db2.gz ZIHCDWWVJXFMQD-PMPSAXMXSA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H](CO)c1ccnn1C ZINC000624018300 450671456 /nfs/dbraw/zinc/67/14/56/450671456.db2.gz PQLWYWGLYLCRJI-HYVNUMGLSA-N 2 0 329.448 1.349 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000633090498 450674480 /nfs/dbraw/zinc/67/44/80/450674480.db2.gz JBWCOVJBQRTGCQ-MRXNPFEDSA-N 2 0 348.495 1.077 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633094822 450679512 /nfs/dbraw/zinc/67/95/12/450679512.db2.gz MEIPTKRNKYHJQU-CVEARBPZSA-N 2 0 338.496 1.049 20 0 EDADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000629510313 450721067 /nfs/dbraw/zinc/72/10/67/450721067.db2.gz BZUFCXBRUXOBCI-MRXNPFEDSA-N 2 0 326.444 1.830 20 0 EDADRP CC1CC[NH+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631717340 450730530 /nfs/dbraw/zinc/73/05/30/450730530.db2.gz FCXQYQHAIAIRTB-UHFFFAOYSA-N 2 0 331.526 1.514 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577121 450746089 /nfs/dbraw/zinc/74/60/89/450746089.db2.gz PYETTWLAVCSUGC-UXHICEINSA-N 2 0 331.504 1.943 20 0 EDADRP OC[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC000629584487 450749948 /nfs/dbraw/zinc/74/99/48/450749948.db2.gz QYPFORSEWMMFQA-LSDHHAIUSA-N 2 0 328.403 1.162 20 0 EDADRP Cc1cc(Br)cn2c(C[N@H+](C)CCOCC[NH3+])cnc12 ZINC000629665898 450774872 /nfs/dbraw/zinc/77/48/72/450774872.db2.gz QYYBWNISTALFKX-UHFFFAOYSA-N 2 0 341.253 1.812 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621652276 450816760 /nfs/dbraw/zinc/81/67/60/450816760.db2.gz XRSFRPHYMITVPB-INIZCTEOSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(CC(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000631831257 450802485 /nfs/dbraw/zinc/80/24/85/450802485.db2.gz XRQIOAPPANNEKB-UHFFFAOYSA-N 2 0 344.459 1.087 20 0 EDADRP [NH3+][C@H](CCNS(=O)(=O)CCC[NH+]1CCCC1)Cc1ccccc1 ZINC000631965061 450924207 /nfs/dbraw/zinc/92/42/07/450924207.db2.gz RYYCQKYSPGKWRC-QGZVFWFLSA-N 2 0 339.505 1.352 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000626923056 451006376 /nfs/dbraw/zinc/00/63/76/451006376.db2.gz KHCZALYLULWDKU-YPMHNXCESA-N 2 0 336.402 1.639 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000626922210 451006617 /nfs/dbraw/zinc/00/66/17/451006617.db2.gz QUPMFDVAJFHQHI-SJORKVTESA-N 2 0 334.464 1.357 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000626947124 451025456 /nfs/dbraw/zinc/02/54/56/451025456.db2.gz LVVHXSBRTBSROJ-KDURUIRLSA-N 2 0 330.476 1.759 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCCOCCC[NH3+])C1 ZINC000626947251 451026790 /nfs/dbraw/zinc/02/67/90/451026790.db2.gz QADQXZXCXNPLSK-GJZGRUSLSA-N 2 0 328.501 1.408 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626954944 451032663 /nfs/dbraw/zinc/03/26/63/451032663.db2.gz NYZPOSLKCLOZDH-ZBFHGGJFSA-N 2 0 326.485 1.127 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000626968306 451040440 /nfs/dbraw/zinc/04/04/40/451040440.db2.gz FWODBLDXDFLNAN-SFHVURJKSA-N 2 0 348.491 1.168 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C[NH2+]1 ZINC000627002554 451067306 /nfs/dbraw/zinc/06/73/06/451067306.db2.gz SJARGDSBMDXMSX-IWCQGFGOSA-N 2 0 338.496 1.194 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000627001871 451067364 /nfs/dbraw/zinc/06/73/64/451067364.db2.gz NLAVJHPJKMWHLX-INIZCTEOSA-N 2 0 328.501 1.232 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000635571776 451070838 /nfs/dbraw/zinc/07/08/38/451070838.db2.gz CMUOVZWMKCSDAJ-ZACQAIPSSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635581183 451081323 /nfs/dbraw/zinc/08/13/23/451081323.db2.gz DTQBSHWWKMVVNC-MAUKXSAKSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627072052 451111974 /nfs/dbraw/zinc/11/19/74/451111974.db2.gz YDDQMXAJUFHOKZ-IAGOWNOFSA-N 2 0 334.464 1.176 20 0 EDADRP C[NH+](C)CC1(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000635659866 451144291 /nfs/dbraw/zinc/14/42/91/451144291.db2.gz IXHJMVMOLYESRB-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP CCN(C(=O)NCCOCC[NH2+]C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627174849 451164465 /nfs/dbraw/zinc/16/44/65/451164465.db2.gz TWDGEJIJTCICNP-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627200528 451183419 /nfs/dbraw/zinc/18/34/19/451183419.db2.gz SDTPDWCXXYQBIR-CABCVRRESA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)[C@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635723181 451199527 /nfs/dbraw/zinc/19/95/27/451199527.db2.gz ZDIZTJOJMXAXOQ-ARFHVFGLSA-N 2 0 325.497 1.674 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635725791 451200560 /nfs/dbraw/zinc/20/05/60/451200560.db2.gz NGQHLUJIISNJID-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000635741070 451210280 /nfs/dbraw/zinc/21/02/80/451210280.db2.gz ASYQMSLHWZGHDT-QRVBRYPASA-N 2 0 345.487 1.470 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)CC1 ZINC000634194442 451231034 /nfs/dbraw/zinc/23/10/34/451231034.db2.gz RWMGJQLGACIPQC-UHFFFAOYSA-N 2 0 345.491 1.892 20 0 EDADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370073 451232425 /nfs/dbraw/zinc/23/24/25/451232425.db2.gz VFRGFCRTWBMEAR-HZPDHXFCSA-N 2 0 347.507 1.828 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000628452764 451255034 /nfs/dbraw/zinc/25/50/34/451255034.db2.gz WUMFJMUSRNKEKJ-UHFFFAOYSA-N 2 0 341.459 1.954 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634261223 451256635 /nfs/dbraw/zinc/25/66/35/451256635.db2.gz ZBYYJLBZFKDRPR-PKOBYXMFSA-N 2 0 346.475 1.065 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638099534 451265280 /nfs/dbraw/zinc/26/52/80/451265280.db2.gz HESJAYSZGHPFNT-UYAOXDASSA-N 2 0 345.487 1.876 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000638123074 451292117 /nfs/dbraw/zinc/29/21/17/451292117.db2.gz NMOCWNJFNIMNRH-AEFFLSMTSA-N 2 0 331.460 1.509 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638126328 451297442 /nfs/dbraw/zinc/29/74/42/451297442.db2.gz TXOBEJYKYWCQAM-AEFFLSMTSA-N 2 0 333.476 1.755 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635851360 451299608 /nfs/dbraw/zinc/29/96/08/451299608.db2.gz CWZFDQCIXYNOQW-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000635927429 451370617 /nfs/dbraw/zinc/37/06/17/451370617.db2.gz NOFUHVYPLMJVCO-DLBZAZTESA-N 2 0 341.496 1.057 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638251656 451382130 /nfs/dbraw/zinc/38/21/30/451382130.db2.gz IOHNSNOZMPJXJL-KPFFTGBYSA-N 2 0 345.487 1.769 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000638259632 451384155 /nfs/dbraw/zinc/38/41/55/451384155.db2.gz XCZSZRRDNHFVPD-XJKSGUPXSA-N 2 0 343.406 1.198 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000638258037 451384201 /nfs/dbraw/zinc/38/42/01/451384201.db2.gz FDGPKCYDHVMCCL-WFEDQXDTSA-N 2 0 349.450 1.402 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCOC1 ZINC000638273404 451392046 /nfs/dbraw/zinc/39/20/46/451392046.db2.gz IXZMYYSIRAKMAH-UYAOXDASSA-N 2 0 348.487 1.784 20 0 EDADRP O=C1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCN1 ZINC000638274993 451394137 /nfs/dbraw/zinc/39/41/37/451394137.db2.gz RIJHCHCSQGYDCS-KRWDZBQOSA-N 2 0 331.460 1.402 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636048357 451465344 /nfs/dbraw/zinc/46/53/44/451465344.db2.gz VIQJAWCZNHWCEX-OALUTQOASA-N 2 0 345.487 1.472 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000636054120 451469764 /nfs/dbraw/zinc/46/97/64/451469764.db2.gz UKAZFXHXYHSTSN-SFHVURJKSA-N 3 0 336.524 1.489 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386585 451479516 /nfs/dbraw/zinc/47/95/16/451479516.db2.gz NPLQHVAPLGKITD-JYJNAYRXSA-N 2 0 325.497 1.709 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000638435113 451513602 /nfs/dbraw/zinc/51/36/02/451513602.db2.gz BHKLMCLXQLJYPH-MJGOQNOKSA-N 2 0 345.487 1.803 20 0 EDADRP CO[C@@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCOC1 ZINC000638513469 451552997 /nfs/dbraw/zinc/55/29/97/451552997.db2.gz MDWYQOXPYGKQNV-ROUUACIJSA-N 2 0 349.475 1.119 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]CCC[C@H]3CCO3)CC2)nc1 ZINC000638529321 451561246 /nfs/dbraw/zinc/56/12/46/451561246.db2.gz HQDKHSSKWVMCOG-KRWDZBQOSA-N 2 0 333.480 1.538 20 0 EDADRP COCCc1ncc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000631065370 451563828 /nfs/dbraw/zinc/56/38/28/451563828.db2.gz YAHWZMFRAGKCSN-CQSZACIVSA-N 2 0 326.510 1.305 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000638555391 451574952 /nfs/dbraw/zinc/57/49/52/451574952.db2.gz IBGZDGJGOZUIMG-KXUCPTDWSA-N 2 0 329.313 1.217 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000636910025 451599645 /nfs/dbraw/zinc/59/96/45/451599645.db2.gz YMJKIKVRBVKRCB-RDJZCZTQSA-N 2 0 348.491 1.824 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCNC(=O)CC2)CC1 ZINC000634952793 451621758 /nfs/dbraw/zinc/62/17/58/451621758.db2.gz JHACVRIHBQRXJJ-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP CO[C@H](C[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)C1CCOCC1 ZINC000638677990 451646990 /nfs/dbraw/zinc/64/69/90/451646990.db2.gz HHIRZGBOEDSJRH-UXHICEINSA-N 2 0 348.487 1.655 20 0 EDADRP [NH3+]C1(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000638779697 451688371 /nfs/dbraw/zinc/68/83/71/451688371.db2.gz LVOWNEZTWIJVLE-GOSISDBHSA-N 2 0 343.471 1.100 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780237 451688815 /nfs/dbraw/zinc/68/88/15/451688815.db2.gz PEXPJMGQFSARBQ-OKZBNKHCSA-N 2 0 337.508 1.901 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000638845815 451708942 /nfs/dbraw/zinc/70/89/42/451708942.db2.gz VSSYVNYSTZTFFG-AWEZNQCLSA-N 2 0 325.416 1.062 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638849790 451710279 /nfs/dbraw/zinc/71/02/79/451710279.db2.gz HALHZZDFQKLCIC-WMLDXEAASA-N 2 0 339.443 1.433 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1(C)C ZINC000638977324 451744319 /nfs/dbraw/zinc/74/43/19/451744319.db2.gz KUDPUBPGLUGYDB-MAUKXSAKSA-N 2 0 349.479 1.621 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC(CC)([NH+](C)C)CC2)C1(C)C ZINC000638976108 451744353 /nfs/dbraw/zinc/74/43/53/451744353.db2.gz UCCANMACRCPBHB-KDOFPFPSSA-N 2 0 325.497 1.852 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000638977467 451744589 /nfs/dbraw/zinc/74/45/89/451744589.db2.gz SPEPWIUKCRUBLR-VQTJNVASSA-N 2 0 348.487 1.784 20 0 EDADRP COc1cccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638987666 451747790 /nfs/dbraw/zinc/74/77/90/451747790.db2.gz VXJNMJXLQTYDCS-UHFFFAOYSA-N 2 0 326.400 1.681 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003471 451751173 /nfs/dbraw/zinc/75/11/73/451751173.db2.gz ALKDSYDQLWQKAG-IEBWSBKVSA-N 2 0 331.460 1.312 20 0 EDADRP COC[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003477 451751395 /nfs/dbraw/zinc/75/13/95/451751395.db2.gz ALKDSYDQLWQKAG-PKOBYXMFSA-N 2 0 331.460 1.312 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000639020392 451753122 /nfs/dbraw/zinc/75/31/22/451753122.db2.gz FGVSGLPAGGALLS-IPMKNSEASA-N 2 0 342.487 1.894 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)[C@]12CCCO2 ZINC000639116225 451771618 /nfs/dbraw/zinc/77/16/18/451771618.db2.gz CPDDZWHQNOCGAN-BSDSXHPESA-N 2 0 326.481 1.804 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221922 451787627 /nfs/dbraw/zinc/78/76/27/451787627.db2.gz MBKRKPBNUPBHMJ-FUHWJXTLSA-N 2 0 331.464 1.092 20 0 EDADRP O[C@@]1(Cn2cc(C3CC[NH2+]CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641229644 451790846 /nfs/dbraw/zinc/79/08/46/451790846.db2.gz LHQPBZDNJHEYLN-IBGZPJMESA-N 2 0 341.459 1.382 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[NH2+]C1CC1 ZINC000637330055 451790985 /nfs/dbraw/zinc/79/09/85/451790985.db2.gz RXGCSTTZQRYAOI-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP c1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc2c1OCCO2 ZINC000639302468 451816547 /nfs/dbraw/zinc/81/65/47/451816547.db2.gz FKKUOOVOTGQBGV-UHFFFAOYSA-N 2 0 347.459 1.833 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000653353579 451866922 /nfs/dbraw/zinc/86/69/22/451866922.db2.gz FNXNXUYQQSNAEN-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000646851743 451888723 /nfs/dbraw/zinc/88/87/23/451888723.db2.gz ZZWHLKOFKMIVDP-LESCRADOSA-N 2 0 349.450 1.612 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637473302 451891033 /nfs/dbraw/zinc/89/10/33/451891033.db2.gz OMOQJLYGGOMQCF-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CC1(C)CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)CC[N@@H+]1CCO ZINC000637472289 451891839 /nfs/dbraw/zinc/89/18/39/451891839.db2.gz ZKVQPWHIANWDHH-INIZCTEOSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000642684809 451915875 /nfs/dbraw/zinc/91/58/75/451915875.db2.gz TUUJAJGHEQVVKC-CABCVRRESA-N 2 0 346.475 1.141 20 0 EDADRP OCCCOC1CC[NH+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000639514213 451917382 /nfs/dbraw/zinc/91/73/82/451917382.db2.gz COOMGPSSOOBSBQ-HXUWFJFHSA-N 2 0 348.487 1.487 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000639518474 451919724 /nfs/dbraw/zinc/91/97/24/451919724.db2.gz IJBPFVDMZWVCQY-GOEBONIOSA-N 2 0 336.505 1.874 20 0 EDADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639566214 451947269 /nfs/dbraw/zinc/94/72/69/451947269.db2.gz JARULRPPUNWINM-UYAOXDASSA-N 3 0 340.471 1.846 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)c1cccc(OC)c1 ZINC000649282914 451955523 /nfs/dbraw/zinc/95/55/23/451955523.db2.gz RUBPRYIWUDIWLW-KRWDZBQOSA-N 2 0 349.475 1.573 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588599 451959245 /nfs/dbraw/zinc/95/92/45/451959245.db2.gz DQKNDMGOOCLQJN-HOTGVXAUSA-N 2 0 334.464 1.747 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000649287948 451961988 /nfs/dbraw/zinc/96/19/88/451961988.db2.gz SDAKKMIIDOJZNY-AWEZNQCLSA-N 2 0 327.375 1.810 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000649292950 451968807 /nfs/dbraw/zinc/96/88/07/451968807.db2.gz OJKATKWNYHVFDW-HOCLYGCPSA-N 2 0 334.468 1.053 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649294944 451970738 /nfs/dbraw/zinc/97/07/38/451970738.db2.gz WPJDDISWQHLREM-SJORKVTESA-N 2 0 335.496 1.270 20 0 EDADRP CN(C(=O)[C@H]1C[NH2+]CCOC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649300806 451977777 /nfs/dbraw/zinc/97/77/77/451977777.db2.gz PGMCOBWWCSLPSP-ROUUACIJSA-N 2 0 331.460 1.345 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000649303975 451979911 /nfs/dbraw/zinc/97/99/11/451979911.db2.gz WOTZFGLGRRJTQZ-RBUKOAKNSA-N 2 0 345.487 1.812 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1C[NH2+]CCOC1 ZINC000649308868 451986484 /nfs/dbraw/zinc/98/64/84/451986484.db2.gz DIKZHSNGLDTSBC-HUUCEWRRSA-N 2 0 337.489 1.312 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000646990114 451990994 /nfs/dbraw/zinc/99/09/94/451990994.db2.gz LHVZOGOMXUPJBW-GOSISDBHSA-N 2 0 331.460 1.699 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)COC1(C)C[NH2+]C1 ZINC000649312933 451991903 /nfs/dbraw/zinc/99/19/03/451991903.db2.gz MJHBDYQLMRBFCN-UHFFFAOYSA-N 2 0 349.500 1.861 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649315205 451995132 /nfs/dbraw/zinc/99/51/32/451995132.db2.gz UXQVCSWQWFYJNH-AWEZNQCLSA-N 2 0 332.448 1.367 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649319665 451997747 /nfs/dbraw/zinc/99/77/47/451997747.db2.gz OTAPIITYFDFXJB-FQEVSTJZSA-N 2 0 344.503 1.390 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649323391 452003759 /nfs/dbraw/zinc/00/37/59/452003759.db2.gz ZHFUJRXRRKJWNH-QGZVFWFLSA-N 2 0 331.460 1.345 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1cnnn1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000651674233 452006222 /nfs/dbraw/zinc/00/62/22/452006222.db2.gz HLUSKSMPAIHRGH-LJQANCHMSA-N 2 0 342.491 1.629 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000651677990 452008655 /nfs/dbraw/zinc/00/86/55/452008655.db2.gz UFTOCBHMIVLHRI-QGZVFWFLSA-N 2 0 346.475 1.584 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000649329684 452009727 /nfs/dbraw/zinc/00/97/27/452009727.db2.gz BRUDYMXBLSBOLW-DBDQLMEASA-N 2 0 327.472 1.963 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(F)c1F ZINC000637683935 452018069 /nfs/dbraw/zinc/01/80/69/452018069.db2.gz UJQGKDJSGRXEIX-UHFFFAOYSA-N 2 0 328.407 1.600 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000649374286 452048993 /nfs/dbraw/zinc/04/89/93/452048993.db2.gz FKOKNTXQUAZSHU-INIZCTEOSA-N 2 0 333.480 1.165 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000647085119 452052481 /nfs/dbraw/zinc/05/24/81/452052481.db2.gz NGJDJHVPZCHIDO-HZPDHXFCSA-N 2 0 342.447 1.240 20 0 EDADRP C[C@@H](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC000647085599 452052614 /nfs/dbraw/zinc/05/26/14/452052614.db2.gz YWDPDIDTUUNFRA-ZLPCBKJTSA-N 2 0 336.524 1.345 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000649413810 452075515 /nfs/dbraw/zinc/07/55/15/452075515.db2.gz INFSWACJPUTAJG-HNNXBMFYSA-N 2 0 329.448 1.970 20 0 EDADRP c1nc2c(c(N3CCOCC3)n1)C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000649412058 452075555 /nfs/dbraw/zinc/07/55/55/452075555.db2.gz GNVTYSKHGCWJNX-HNNXBMFYSA-N 2 0 331.464 1.061 20 0 EDADRP CN(Cc1ccccc1)[C@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1 ZINC000649413807 452076524 /nfs/dbraw/zinc/07/65/24/452076524.db2.gz HLURVYUBJWQQFT-SFHVURJKSA-N 2 0 330.476 1.015 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418225 452080519 /nfs/dbraw/zinc/08/05/19/452080519.db2.gz LCZMXBXGIYKPAE-NUJGCVRESA-N 2 0 345.491 1.627 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCC1([NH3+])CCCCCC1 ZINC000637808020 452093375 /nfs/dbraw/zinc/09/33/75/452093375.db2.gz SYYSPHCIFOJKGA-KRWDZBQOSA-N 2 0 332.492 1.614 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3CCCC[NH2+]3)ccc2[nH]c1=O ZINC000637815239 452097968 /nfs/dbraw/zinc/09/79/68/452097968.db2.gz GCNCVDGZICPDHF-CQSZACIVSA-N 2 0 345.447 1.175 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762178 452100413 /nfs/dbraw/zinc/10/04/13/452100413.db2.gz HHJGBFNZEOARDP-LPHOPBHVSA-N 2 0 339.524 1.660 20 0 EDADRP COc1cccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639762442 452101240 /nfs/dbraw/zinc/10/12/40/452101240.db2.gz LFDRUWCGJMVYNB-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000637833338 452106587 /nfs/dbraw/zinc/10/65/87/452106587.db2.gz RZEGMGHBCXCMEE-ROUUACIJSA-N 2 0 326.444 1.262 20 0 EDADRP OC[C@H]1CCCCC[NH+]1CC1(C[N@H+]2CCCCC[C@@H]2CO)COC1 ZINC000653783339 452114758 /nfs/dbraw/zinc/11/47/58/452114758.db2.gz IRGCQBQJYBVNEH-QZTJIDSGSA-N 2 0 340.508 1.477 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637858421 452118379 /nfs/dbraw/zinc/11/83/79/452118379.db2.gz CINVACVRMDEEKL-UHFFFAOYSA-N 2 0 344.410 1.388 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637861745 452119591 /nfs/dbraw/zinc/11/95/91/452119591.db2.gz KRJQWEPVRXXJQC-GHMZBOCLSA-N 2 0 344.410 1.196 20 0 EDADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000641623179 452143061 /nfs/dbraw/zinc/14/30/61/452143061.db2.gz GANWIQPRIZYHJW-IRXDYDNUSA-N 2 0 345.553 1.854 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](n3ccnn3)CC2)CC1 ZINC000639816161 452150015 /nfs/dbraw/zinc/15/00/15/452150015.db2.gz CODJYGZPKRYRLT-SFHVURJKSA-N 2 0 334.512 1.721 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)nnn1C1CC[NH2+]CC1 ZINC000645104561 452153965 /nfs/dbraw/zinc/15/39/65/452153965.db2.gz OUHWZWYZQQEBMV-GDBMZVCRSA-N 2 0 346.479 1.115 20 0 EDADRP CN(CCN1CC[NH2+]CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000647492970 452236826 /nfs/dbraw/zinc/23/68/26/452236826.db2.gz MAWILOLJORRAMW-UHFFFAOYSA-N 2 0 332.536 1.982 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C[C@@H]21 ZINC000641786322 452260312 /nfs/dbraw/zinc/26/03/12/452260312.db2.gz MALJFDMRGDWOTA-SPUZQDLCSA-N 2 0 328.460 1.642 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663555678 452265567 /nfs/dbraw/zinc/26/55/67/452265567.db2.gz DHMPPNVJWNIAOE-OAHLLOKOSA-N 2 0 339.528 1.184 20 0 EDADRP Cc1cccc(CN2CCN(C(=O)CN[C@@H]3C[C@H]([NH3+])C3(C)C)CC2)c1 ZINC000641802375 452277761 /nfs/dbraw/zinc/27/77/61/452277761.db2.gz JQYDCYILCPTMBA-ZWKOTPCHSA-N 3 0 344.503 1.355 20 0 EDADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647549440 452278017 /nfs/dbraw/zinc/27/80/17/452278017.db2.gz ZROFQXFZNFNBMN-ARFHVFGLSA-N 2 0 329.444 1.780 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659435077 452282450 /nfs/dbraw/zinc/28/24/50/452282450.db2.gz FEHKBYXWANGFGH-MRXNPFEDSA-N 2 0 327.517 1.077 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000655494621 452294337 /nfs/dbraw/zinc/29/43/37/452294337.db2.gz LRNFTUPPFUYKIP-UHFFFAOYSA-N 2 0 333.480 1.295 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659451020 452300440 /nfs/dbraw/zinc/30/04/40/452300440.db2.gz LKEBLMIBOQPWJX-PGYGNJIDSA-N 2 0 342.487 1.684 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663582284 452307125 /nfs/dbraw/zinc/30/71/25/452307125.db2.gz DFHNCVGEZMWBSJ-SFHVURJKSA-N 2 0 331.464 1.620 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659457748 452310201 /nfs/dbraw/zinc/31/02/01/452310201.db2.gz KFFATODAFKORKV-ROUUACIJSA-N 2 0 334.508 1.892 20 0 EDADRP CC1([NH+]2CCCC2)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000639981901 452315641 /nfs/dbraw/zinc/31/56/41/452315641.db2.gz VUDHUQURLCZEFS-UHFFFAOYSA-N 2 0 348.535 1.680 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638050933 452322809 /nfs/dbraw/zinc/32/28/09/452322809.db2.gz VZFSEUJMLMWBSM-IEBWSBKVSA-N 2 0 333.476 1.434 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)C[C@H]1C[NH3+] ZINC000652127963 452323151 /nfs/dbraw/zinc/32/31/51/452323151.db2.gz KHJHGWZCFXNMMX-NVXWUHKLSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659468625 452326714 /nfs/dbraw/zinc/32/67/14/452326714.db2.gz BZQQHNBGLBYOQX-QMCVQRASSA-N 2 0 334.439 1.730 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000659480444 452338170 /nfs/dbraw/zinc/33/81/70/452338170.db2.gz LVXBWMVWENAYEC-KKXDTOCCSA-N 2 0 346.475 1.880 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652163322 452358007 /nfs/dbraw/zinc/35/80/07/452358007.db2.gz INDKKGVEWGPEAV-UHFFFAOYSA-N 2 0 340.512 1.565 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4cnccn34)cc2)C1 ZINC000657593995 452360726 /nfs/dbraw/zinc/36/07/26/452360726.db2.gz GDTPOIJAHIOROM-GOSISDBHSA-N 2 0 337.427 1.586 20 0 EDADRP CC[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000638064695 452364856 /nfs/dbraw/zinc/36/48/56/452364856.db2.gz OCGJAWSVGSIPQT-CQSZACIVSA-N 2 0 334.464 1.695 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638064252 452365241 /nfs/dbraw/zinc/36/52/41/452365241.db2.gz KPMVRDLMPSNFFU-XYJFISCASA-N 2 0 325.497 1.626 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CCO1 ZINC000659506221 452371692 /nfs/dbraw/zinc/37/16/92/452371692.db2.gz ZLGPEFKGRHUJQR-INIZCTEOSA-N 2 0 340.512 1.790 20 0 EDADRP CC[C@@]1(O)CCC[NH+](CC2(C[N@H+]3CCC[C@](O)(CC)C3)COC2)C1 ZINC000640035868 452374548 /nfs/dbraw/zinc/37/45/48/452374548.db2.gz ODXUABCXMAJVFX-RTBURBONSA-N 2 0 340.508 1.477 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000659511479 452375976 /nfs/dbraw/zinc/37/59/76/452375976.db2.gz QFEKUUXCTXUQEW-PAYONLEZSA-N 2 0 348.466 1.959 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652182309 452377669 /nfs/dbraw/zinc/37/76/69/452377669.db2.gz IXDYSHPCUYQQCQ-HUUCEWRRSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659513363 452378393 /nfs/dbraw/zinc/37/83/93/452378393.db2.gz WDUFNKBAPCZFSO-UHFFFAOYSA-N 2 0 340.512 1.565 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638072475 452381652 /nfs/dbraw/zinc/38/16/52/452381652.db2.gz SOFRJURNTWPJEI-JENIJYKNSA-N 2 0 331.460 1.534 20 0 EDADRP Cc1ccc2ncc(CN(C)CC(=O)N3CCN(C)CC3)cc2c1 ZINC000640051733 452393850 /nfs/dbraw/zinc/39/38/50/452393850.db2.gz XWQQHRLPSZLZEX-UHFFFAOYSA-N 2 0 326.444 1.749 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000659541561 452398978 /nfs/dbraw/zinc/39/89/78/452398978.db2.gz IPNKEFXODJGCRS-WMZOPIPTSA-N 2 0 338.496 1.176 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000652209089 452404619 /nfs/dbraw/zinc/40/46/19/452404619.db2.gz ZUPKYRMLGSTABN-QZTJIDSGSA-N 2 0 332.492 1.928 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000659547867 452406518 /nfs/dbraw/zinc/40/65/18/452406518.db2.gz FIYFPUGKZCNDRA-OMNBBPDLSA-N 2 0 334.464 1.566 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659554385 452411398 /nfs/dbraw/zinc/41/13/98/452411398.db2.gz MQZHWIZLCCLWES-QZTJIDSGSA-N 2 0 345.491 1.720 20 0 EDADRP COCC1(CNC(=O)NCCC[N@H+](C)CC(C)C)CC[NH2+]CC1 ZINC000652218699 452411610 /nfs/dbraw/zinc/41/16/10/452411610.db2.gz XBGQISMFRJWSGV-UHFFFAOYSA-N 2 0 328.501 1.280 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000645452533 452422323 /nfs/dbraw/zinc/42/23/23/452422323.db2.gz QSUFNPUVKBXAAX-GOSISDBHSA-N 2 0 344.503 1.309 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659572555 452427658 /nfs/dbraw/zinc/42/76/58/452427658.db2.gz XLRZNOJFWCWFNU-XHSDSOJGSA-N 2 0 338.496 1.541 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659575147 452429149 /nfs/dbraw/zinc/42/91/49/452429149.db2.gz UTKXSFGVKLVDFN-UHFFFAOYSA-N 2 0 333.436 1.193 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581274 452436897 /nfs/dbraw/zinc/43/68/97/452436897.db2.gz JSQHTJXQDJGEFQ-HZPDHXFCSA-N 2 0 336.455 1.898 20 0 EDADRP C[NH+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000661639742 452456893 /nfs/dbraw/zinc/45/68/93/452456893.db2.gz OJTFBQPJLUJLFB-WOJBJXKFSA-N 2 0 331.504 1.690 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000652288059 452472246 /nfs/dbraw/zinc/47/22/46/452472246.db2.gz RULRAALZWAOOCD-MRXNPFEDSA-N 2 0 346.475 1.270 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647783732 452520415 /nfs/dbraw/zinc/52/04/15/452520415.db2.gz AYXKZVVXXNNBCD-NCYKPQTJSA-N 3 0 342.531 1.953 20 0 EDADRP CN(C)C(=O)COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647784227 452520727 /nfs/dbraw/zinc/52/07/27/452520727.db2.gz MTDQMVYMJXCZGE-GVDBMIGSSA-N 2 0 331.460 1.631 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)C1 ZINC000652347549 452523015 /nfs/dbraw/zinc/52/30/15/452523015.db2.gz DJQMWQHJACFLQK-GVDBMIGSSA-N 2 0 335.492 1.510 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348455 452523226 /nfs/dbraw/zinc/52/32/26/452523226.db2.gz FFPYDSXPOBGLFZ-LZWOXQAQSA-N 2 0 343.431 1.850 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000647792865 452524185 /nfs/dbraw/zinc/52/41/85/452524185.db2.gz BNKRHUWPMUYUQP-MGPQQGTHSA-N 2 0 343.518 1.313 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791728 452525054 /nfs/dbraw/zinc/52/50/54/452525054.db2.gz LLNOTTJQZWYHJY-ARFHVFGLSA-N 2 0 337.489 1.251 20 0 EDADRP c1ccc(OCc2n[nH]c(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000647795486 452526759 /nfs/dbraw/zinc/52/67/59/452526759.db2.gz QKIIGUSSGQEQKZ-SOUVJXGZSA-N 2 0 327.432 1.861 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000645566898 452542214 /nfs/dbraw/zinc/54/22/14/452542214.db2.gz VHULYINPAVTGKN-UHFFFAOYSA-N 2 0 346.475 1.449 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2cccs2)C1 ZINC000652361024 452542235 /nfs/dbraw/zinc/54/22/35/452542235.db2.gz WJZCITBJRKHCQY-VNQPRFMTSA-N 2 0 337.489 1.725 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(F)cc2)C1 ZINC000652360163 452542586 /nfs/dbraw/zinc/54/25/86/452542586.db2.gz BVFPHSIHUINOHU-SQNIBIBYSA-N 2 0 349.450 1.803 20 0 EDADRP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663830850 452557783 /nfs/dbraw/zinc/55/77/83/452557783.db2.gz PBZRCMCDJOLPNS-LBPRGKRZSA-N 2 0 339.403 1.351 20 0 EDADRP CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)C[NH+]2CC[C@@H](O)CC(C)(C)C2)C1 ZINC000650163609 452565276 /nfs/dbraw/zinc/56/52/76/452565276.db2.gz FHIVLZHSTFCWFG-BJWYYQGGSA-N 2 0 342.524 1.313 20 0 EDADRP C[N@H+](CCOc1ccccc1Br)CCN1CC[NH2+]CC1 ZINC000647836225 452573826 /nfs/dbraw/zinc/57/38/26/452573826.db2.gz RKXKECBOPRAYQI-UHFFFAOYSA-N 2 0 342.281 1.665 20 0 EDADRP c1cc2n(n1)CCC[C@@H]2[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000657864060 452576133 /nfs/dbraw/zinc/57/61/33/452576133.db2.gz NQPULYIJZVALPX-SFHVURJKSA-N 2 0 340.475 1.915 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000643785039 452641234 /nfs/dbraw/zinc/64/12/34/452641234.db2.gz IDLBXVVLNXPNSV-JLUCKKNBSA-N 2 0 325.815 1.935 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655914815 452675571 /nfs/dbraw/zinc/67/55/71/452675571.db2.gz OZDYFXKBAFVHAL-CYBMUJFWSA-N 2 0 348.369 1.316 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655927808 452696422 /nfs/dbraw/zinc/69/64/22/452696422.db2.gz JVVIVWVSXNSJIZ-KBPBESRZSA-N 2 0 344.381 1.697 20 0 EDADRP Cc1ccc(CN2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940535 452710723 /nfs/dbraw/zinc/71/07/23/452710723.db2.gz UCMWYWZZEWECOP-IAGOWNOFSA-N 2 0 329.448 1.110 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978623 452723764 /nfs/dbraw/zinc/72/37/64/452723764.db2.gz WAZIHFQLTIUNEB-ZWKOTPCHSA-N 2 0 339.524 1.877 20 0 EDADRP C[C@H]1CN(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000659860829 452742078 /nfs/dbraw/zinc/74/20/78/452742078.db2.gz GHXFUEJISGVPLC-ROUUACIJSA-N 2 0 339.524 1.530 20 0 EDADRP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000658135320 452746360 /nfs/dbraw/zinc/74/63/60/452746360.db2.gz DDVDFXJNDQTDES-SOAGJPPSSA-N 2 0 345.487 1.790 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652562709 452747269 /nfs/dbraw/zinc/74/72/69/452747269.db2.gz NJSOSSAXOHVSJD-UHFFFAOYSA-N 2 0 345.491 1.997 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)C(C)(C)CO ZINC000664128464 452808360 /nfs/dbraw/zinc/80/83/60/452808360.db2.gz KQRKAOZLWCZIRN-JSGCOSHPSA-N 2 0 335.452 1.016 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC2(COC2)C1 ZINC000662074167 452820867 /nfs/dbraw/zinc/82/08/67/452820867.db2.gz PPBJCJQBZVXJEW-SJLPKXTDSA-N 2 0 343.471 1.488 20 0 EDADRP CC1CC[NH+](CC(=O)N(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)CC1 ZINC000648114880 452831976 /nfs/dbraw/zinc/83/19/76/452831976.db2.gz FMFBEMWZGGALRA-GOSISDBHSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118708 452834685 /nfs/dbraw/zinc/83/46/85/452834685.db2.gz ZGTDKPFGCSJJFK-XHSDSOJGSA-N 2 0 345.491 1.279 20 0 EDADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@H]1CCCCO1 ZINC000654720594 452835303 /nfs/dbraw/zinc/83/53/03/452835303.db2.gz XZAMXCXFJMBLSI-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CN(C)C(=O)C1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000666413623 452853173 /nfs/dbraw/zinc/85/31/73/452853173.db2.gz CXVJCMWOYPSIEZ-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@@H](C)C1 ZINC000654734433 452862293 /nfs/dbraw/zinc/86/22/93/452862293.db2.gz KWOGLZBEAHIERO-NXOAAHMSSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C[C@@H](C)O1 ZINC000659975192 452880506 /nfs/dbraw/zinc/88/05/06/452880506.db2.gz VNKDHFPFHKOUHM-QZTJIDSGSA-N 2 0 339.524 1.672 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000645889349 452881283 /nfs/dbraw/zinc/88/12/83/452881283.db2.gz FAYRWLPPODDSKV-INIZCTEOSA-N 2 0 337.387 1.641 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)cc12 ZINC000650706302 452943094 /nfs/dbraw/zinc/94/30/94/452943094.db2.gz IEHLYFHTTFINCF-BQFCYCMXSA-N 2 0 343.475 1.995 20 0 EDADRP CC[N@H+](CCC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C1CCCCC1 ZINC000650710798 452947489 /nfs/dbraw/zinc/94/74/89/452947489.db2.gz ZVRXWLLPTZDLKR-QGZVFWFLSA-N 3 0 338.540 1.818 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC[C@@H]2CCc3ccccc3N2)C1 ZINC000650720959 452950841 /nfs/dbraw/zinc/95/08/41/452950841.db2.gz JPLYXKFWYWNWRE-RDJZCZTQSA-N 2 0 330.476 1.590 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1Cl ZINC000662243590 452970402 /nfs/dbraw/zinc/97/04/02/452970402.db2.gz NJIIMKBCSVJLEI-ZDUSSCGKSA-N 2 0 325.840 1.636 20 0 EDADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662280932 453003624 /nfs/dbraw/zinc/00/36/24/453003624.db2.gz IEUMPMYXNXYMAH-SNPRPXQTSA-N 2 0 344.450 1.888 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662279346 453003746 /nfs/dbraw/zinc/00/37/46/453003746.db2.gz RXNCFFLQFVXVTD-SFHVURJKSA-N 3 0 339.524 1.578 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000662287415 453011906 /nfs/dbraw/zinc/01/19/06/453011906.db2.gz ZOEBEHORWUEGMD-CZUORRHYSA-N 2 0 325.478 1.544 20 0 EDADRP Cn1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292272 453014054 /nfs/dbraw/zinc/01/40/54/453014054.db2.gz CVAHYHYKCWDOKI-DOTOQJQBSA-N 2 0 331.464 1.237 20 0 EDADRP Cn1cc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292321 453014776 /nfs/dbraw/zinc/01/47/76/453014776.db2.gz DMWXVMJFQLDGDY-SJLPKXTDSA-N 2 0 345.491 1.627 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307764 453027392 /nfs/dbraw/zinc/02/73/92/453027392.db2.gz ZBEFLMDBMDIRGW-MOPGFXCFSA-N 2 0 329.488 1.756 20 0 EDADRP COc1cccc([C@@]2(C)CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)c1 ZINC000662309638 453029374 /nfs/dbraw/zinc/02/93/74/453029374.db2.gz BIHVTJXKLPPYPM-IBGZPJMESA-N 2 0 331.460 1.481 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000646042220 453044344 /nfs/dbraw/zinc/04/43/44/453044344.db2.gz YADYNEVPWVDVLT-QGZVFWFLSA-N 2 0 349.450 1.783 20 0 EDADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327387 453045948 /nfs/dbraw/zinc/04/59/48/453045948.db2.gz HSZXYIYYHRUEBL-CQSZACIVSA-N 2 0 347.507 1.971 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000662337230 453053779 /nfs/dbraw/zinc/05/37/79/453053779.db2.gz KIPMMGFURXETOH-IAGOWNOFSA-N 2 0 347.507 1.958 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]2CCCC2)c1 ZINC000662342461 453062232 /nfs/dbraw/zinc/06/22/32/453062232.db2.gz FFFGHCMPYRPGNB-ROUUACIJSA-N 2 0 349.475 1.701 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644124761 453063857 /nfs/dbraw/zinc/06/38/57/453063857.db2.gz PJZVFSCXAXKCHL-HNNXBMFYSA-N 2 0 343.393 1.961 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666702044 453079427 /nfs/dbraw/zinc/07/94/27/453079427.db2.gz PPZXUQMOILALGH-RBSFLKMASA-N 2 0 346.475 1.566 20 0 EDADRP CN(C[C@@H]1OCCN(C)[C@H]1c1cnn(C)c1)c1[nH+]ccc2[nH]ccc21 ZINC000664433245 453091064 /nfs/dbraw/zinc/09/10/64/453091064.db2.gz BTACGNWOBORHOS-IRXDYDNUSA-N 2 0 340.431 1.805 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646103528 453103529 /nfs/dbraw/zinc/10/35/29/453103529.db2.gz WZWLAMRCHWDNDO-SFHVURJKSA-N 2 0 348.487 1.840 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](CCOCCOc1ccccc1)CCO2 ZINC000646104037 453106808 /nfs/dbraw/zinc/10/68/08/453106808.db2.gz XLBDBJJQKNNTBS-UHFFFAOYSA-N 2 0 334.460 1.879 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000646112358 453120506 /nfs/dbraw/zinc/12/05/06/453120506.db2.gz OKSCVNGGDYZSIQ-UHFFFAOYSA-N 2 0 343.427 1.625 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662463313 453172009 /nfs/dbraw/zinc/17/20/09/453172009.db2.gz YDRCICNTKKZWDY-HKUYNNGSSA-N 2 0 342.487 1.459 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1CCOCC1 ZINC000660297717 453185641 /nfs/dbraw/zinc/18/56/41/453185641.db2.gz OPUMUVUIXLHKHN-HZPDHXFCSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C[NH+]1CCN(C)CC1 ZINC000662479106 453192784 /nfs/dbraw/zinc/19/27/84/453192784.db2.gz CJGZZKCHGLIVER-QAPCUYQASA-N 2 0 330.476 1.221 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000662524399 453243535 /nfs/dbraw/zinc/24/35/35/453243535.db2.gz WIBVAVCFDQULCV-GJZGRUSLSA-N 2 0 332.448 1.603 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666975411 453291906 /nfs/dbraw/zinc/29/19/06/453291906.db2.gz OMWNSPRODGJBKA-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCCC2)cc1 ZINC000653113625 453302196 /nfs/dbraw/zinc/30/21/96/453302196.db2.gz JFPCSUZPNIMPHH-NSHGMRRFSA-N 2 0 343.471 1.484 20 0 EDADRP O=C([C@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653122070 453313177 /nfs/dbraw/zinc/31/31/77/453313177.db2.gz KRYSCIVYQHZONL-QZTJIDSGSA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+]C/C=C\CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000666990258 453314902 /nfs/dbraw/zinc/31/49/02/453314902.db2.gz IEDIPENDNBOAHP-UPHRSURJSA-N 2 0 334.489 1.914 20 0 EDADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613856 453332382 /nfs/dbraw/zinc/33/23/82/453332382.db2.gz JJIRIDKPVPPEOY-MJGOQNOKSA-N 2 0 337.508 1.901 20 0 EDADRP NC(=O)[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000656677453 453361804 /nfs/dbraw/zinc/36/18/04/453361804.db2.gz OJXFHCRRFIIUMP-GOSISDBHSA-N 2 0 331.460 1.694 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000662665021 453377506 /nfs/dbraw/zinc/37/75/06/453377506.db2.gz ZAMFPFNDIACXGZ-OKZBNKHCSA-N 2 0 347.459 1.312 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000664756998 453379955 /nfs/dbraw/zinc/37/99/55/453379955.db2.gz YUIJKMHNDYOQDC-CVEARBPZSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC[NH2+]CC1 ZINC000653190994 453380877 /nfs/dbraw/zinc/38/08/77/453380877.db2.gz QMDNESFIMIYPBC-SPUZQDLCSA-N 2 0 337.508 1.757 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662679611 453399831 /nfs/dbraw/zinc/39/98/31/453399831.db2.gz ATWWEDXSFANPFG-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681007 453400709 /nfs/dbraw/zinc/40/07/09/453400709.db2.gz RNNARXSLWUGJFN-GJZGRUSLSA-N 2 0 334.468 1.054 20 0 EDADRP CN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651261645 453404293 /nfs/dbraw/zinc/40/42/93/453404293.db2.gz RUILQKDQQZMNIS-HZMVEIRTSA-N 2 0 336.480 1.116 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000662683269 453405049 /nfs/dbraw/zinc/40/50/49/453405049.db2.gz PZODCWBCEQXUAM-WUJZJPHMSA-N 2 0 331.435 1.987 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662683345 453405113 /nfs/dbraw/zinc/40/51/13/453405113.db2.gz YDLCSFQMSOCIPY-INIZCTEOSA-N 2 0 346.479 1.197 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000662696510 453415763 /nfs/dbraw/zinc/41/57/63/453415763.db2.gz MDBFNBQSXCMXMF-MSOLQXFVSA-N 2 0 331.460 1.379 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695632 453416434 /nfs/dbraw/zinc/41/64/34/453416434.db2.gz ORMFRCOUMDPNAQ-INIZCTEOSA-N 2 0 330.476 1.585 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000667138254 453429707 /nfs/dbraw/zinc/42/97/07/453429707.db2.gz ZJNCWPRODMWHGE-CVEARBPZSA-N 2 0 348.495 1.688 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000667156368 453444489 /nfs/dbraw/zinc/44/44/89/453444489.db2.gz JGJPWFZJISTTOQ-JKSUJKDBSA-N 2 0 348.495 1.688 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000662730536 453457831 /nfs/dbraw/zinc/45/78/31/453457831.db2.gz IKYNOVBGXARMRB-INIZCTEOSA-N 2 0 332.448 1.449 20 0 EDADRP Cc1cc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000662739686 453464001 /nfs/dbraw/zinc/46/40/01/453464001.db2.gz PAZJFJUJWVWFJM-WMZOPIPTSA-N 2 0 347.459 1.772 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000651335685 453480710 /nfs/dbraw/zinc/48/07/10/453480710.db2.gz WDZIFCHTARAOAB-QGTPRVQTSA-N 2 0 337.508 1.580 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664918139 453483156 /nfs/dbraw/zinc/48/31/56/453483156.db2.gz AFGSNPOUUGLWOZ-DLBZAZTESA-N 2 0 340.512 1.611 20 0 EDADRP COCc1ccccc1CNC(=O)CN1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660654679 453489913 /nfs/dbraw/zinc/48/99/13/453489913.db2.gz BFYXFLGFMHXNBD-FQEVSTJZSA-N 2 0 345.487 1.867 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2[NH2+]CCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000662755580 453491593 /nfs/dbraw/zinc/49/15/93/453491593.db2.gz CDLPUTCAUSLBEQ-MRXNPFEDSA-N 2 0 336.524 1.441 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000660704525 453530196 /nfs/dbraw/zinc/53/01/96/453530196.db2.gz USWJOFWNHOISMI-ZWKOTPCHSA-N 2 0 334.508 1.892 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655443496 453530479 /nfs/dbraw/zinc/53/04/79/453530479.db2.gz WGQDHDAPJDBJPT-YJBOKZPZSA-N 2 0 331.464 1.868 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655445289 453531642 /nfs/dbraw/zinc/53/16/42/453531642.db2.gz PHUXHYUIYCIQCS-RDJZCZTQSA-N 2 0 337.533 1.854 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662815850 453548311 /nfs/dbraw/zinc/54/83/11/453548311.db2.gz XVAOMBUHDGFGII-ZMSDIMECSA-N 2 0 346.479 1.197 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662816855 453548655 /nfs/dbraw/zinc/54/86/55/453548655.db2.gz QDVNIJLNESISKG-VQIMIIECSA-N 2 0 343.471 1.691 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662822083 453551138 /nfs/dbraw/zinc/55/11/38/453551138.db2.gz IASFETSYGQUDTC-MSOLQXFVSA-N 2 0 346.475 1.510 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000667328043 453560060 /nfs/dbraw/zinc/56/00/60/453560060.db2.gz CJQZUNYTJXFTPY-QYZOEREBSA-N 2 0 342.487 1.997 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667330021 453562152 /nfs/dbraw/zinc/56/21/52/453562152.db2.gz WQLJKBIDLYTOSR-RBUKOAKNSA-N 2 0 340.471 1.917 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000662866884 453579650 /nfs/dbraw/zinc/57/96/50/453579650.db2.gz ODJVUGFMJMLTID-SZMVWBNQSA-N 2 0 331.460 1.789 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC2CC[NH2+]CC2)cc1F ZINC000662869921 453580915 /nfs/dbraw/zinc/58/09/15/453580915.db2.gz PIUWBILRXNWXQQ-RDJZCZTQSA-N 2 0 349.450 1.786 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000660829806 453592741 /nfs/dbraw/zinc/59/27/41/453592741.db2.gz JLLVDZPZBIZHDM-HOTGVXAUSA-N 2 0 339.528 1.042 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCN3CCC4)cc21 ZINC000662907940 453597602 /nfs/dbraw/zinc/59/76/02/453597602.db2.gz RGMYNGIKWCDSJW-QZTJIDSGSA-N 2 0 342.487 1.185 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660851318 453609118 /nfs/dbraw/zinc/60/91/18/453609118.db2.gz YHVLMTYOAWHWEL-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP COc1ccc(N2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])CC2=O)cc1 ZINC000665240291 453619731 /nfs/dbraw/zinc/61/97/31/453619731.db2.gz HKHFTZFCPHELBA-UTJXIGIESA-N 2 0 333.432 1.142 20 0 EDADRP COc1ccc(N2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])CC2=O)cc1 ZINC000665240290 453619910 /nfs/dbraw/zinc/61/99/10/453619910.db2.gz HKHFTZFCPHELBA-NSNWQYSKSA-N 2 0 333.432 1.142 20 0 EDADRP C[C@@H]1[C@H](CO)CCC[NH+]1CC1(C[N@H+]2CCC[C@H](CO)[C@@H]2C)COC1 ZINC000665270640 453630934 /nfs/dbraw/zinc/63/09/34/453630934.db2.gz KFXWIGRVZCYXMA-FZDBZEDMSA-N 2 0 340.508 1.189 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CCO1 ZINC000662973234 453631845 /nfs/dbraw/zinc/63/18/45/453631845.db2.gz QJAHSCJHHMGAPH-ZACQAIPSSA-N 2 0 325.497 1.853 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665409363 453684380 /nfs/dbraw/zinc/68/43/80/453684380.db2.gz FGQJCEMUGUERAT-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCCC2)CCO1 ZINC000663240500 453743828 /nfs/dbraw/zinc/74/38/28/453743828.db2.gz ISMDZYUZDBOVQY-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000665554529 453745595 /nfs/dbraw/zinc/74/55/95/453745595.db2.gz NFDYXVSXGNDONV-HUUCEWRRSA-N 2 0 340.512 1.346 20 0 EDADRP CC[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CO1 ZINC000657416841 453784240 /nfs/dbraw/zinc/78/42/40/453784240.db2.gz XTACPZDHOJUWET-BZSNNMDCSA-N 2 0 333.476 1.433 20 0 EDADRP c1nc(N[C@@H]2CC[NH+](C3CC3)C2)cc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663425752 453794910 /nfs/dbraw/zinc/79/49/10/453794910.db2.gz SDEHSIVJTJLOGD-OKILXGFUSA-N 2 0 328.464 1.774 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cnc(N(C)C)s2)CC1 ZINC000663503440 453811267 /nfs/dbraw/zinc/81/12/67/453811267.db2.gz HXBVPFYZUFAMOD-UHFFFAOYSA-N 2 0 339.509 1.289 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCOC3(C[NH2+]C3)C2)CC1 ZINC000663512412 453813459 /nfs/dbraw/zinc/81/34/59/453813459.db2.gz LCBGAMADBUMOFB-UHFFFAOYSA-N 2 0 344.503 1.393 20 0 EDADRP COc1cc2ccnc(N3CC[NH+](C[C@H](C)O)CC3)c2cc1OC ZINC000663538451 453818588 /nfs/dbraw/zinc/81/85/88/453818588.db2.gz LLAJRNODGHFPAQ-ZDUSSCGKSA-N 2 0 331.416 1.755 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000679920103 486672334 /nfs/dbraw/zinc/67/23/34/486672334.db2.gz UDDBVPLTNFSHOE-QFBILLFUSA-N 2 0 345.487 1.595 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3csc(NC4CC4)n3)C2)CC1 ZINC000676147332 486677547 /nfs/dbraw/zinc/67/75/47/486677547.db2.gz FXCFTVVDZVKSTQ-CYBMUJFWSA-N 2 0 349.504 1.616 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000683378025 486700562 /nfs/dbraw/zinc/70/05/62/486700562.db2.gz DJLRFQOFZOSPLM-SJORKVTESA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C2CC(NS(C)(=O)=O)C2)CC1 ZINC000670271317 486775740 /nfs/dbraw/zinc/77/57/40/486775740.db2.gz HVMJMMJLKYSCIO-LHUBUQBQSA-N 2 0 343.537 1.699 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000672753962 486790538 /nfs/dbraw/zinc/79/05/38/486790538.db2.gz DBFKUSJTFCGKGS-DOTOQJQBSA-N 2 0 334.464 1.691 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417288999 486796610 /nfs/dbraw/zinc/79/66/10/486796610.db2.gz OUXWJCQLIOAISR-UAGQMJEPSA-N 2 0 340.512 1.645 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417331037 486797136 /nfs/dbraw/zinc/79/71/36/486797136.db2.gz LMBYADRBFHCZAK-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP CCn1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)n1 ZINC000667700085 486920848 /nfs/dbraw/zinc/92/08/48/486920848.db2.gz RDJPHGTUXAXXGY-HNNXBMFYSA-N 2 0 336.484 1.783 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(O)c(F)c1 ZINC000681046756 486924318 /nfs/dbraw/zinc/92/43/18/486924318.db2.gz QURCVBTYIBIBNG-UHFFFAOYSA-N 2 0 325.428 1.877 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320739236 486957122 /nfs/dbraw/zinc/95/71/22/486957122.db2.gz LSDSADPFLGBZPV-HNNXBMFYSA-N 2 0 329.366 1.906 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)cn2)CC1 ZINC000667787860 486964798 /nfs/dbraw/zinc/96/47/98/486964798.db2.gz BEPCRBJVXFNYTI-ZWKOTPCHSA-N 2 0 330.476 1.881 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812752 486978379 /nfs/dbraw/zinc/97/83/79/486978379.db2.gz VXFHUKWUIKRLLN-KRWDZBQOSA-N 2 0 348.491 1.507 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)[C@@H](C)C3)ncn2)C[C@H]1C ZINC000681236711 486985726 /nfs/dbraw/zinc/98/57/26/486985726.db2.gz SVRLRMOCSUKWJX-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000673673816 487088364 /nfs/dbraw/zinc/08/83/64/487088364.db2.gz YDCSYFVJUBGHON-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000673982756 487176514 /nfs/dbraw/zinc/17/65/14/487176514.db2.gz OCANUKFZICVJTA-GOEBONIOSA-N 2 0 328.526 1.596 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000679420279 487423878 /nfs/dbraw/zinc/42/38/78/487423878.db2.gz GUBICCKPGYRPOK-UHFFFAOYSA-N 2 0 344.503 1.648 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]21 ZINC000669513763 485478799 /nfs/dbraw/zinc/47/87/99/485478799.db2.gz FUOUXAZRLKIQOH-BPQIPLTHSA-N 2 0 327.472 1.894 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)NCC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000669554125 485553425 /nfs/dbraw/zinc/55/34/25/485553425.db2.gz GBAQZVRGMWPAGH-ZWKOTPCHSA-N 2 0 344.459 1.492 20 0 EDADRP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669557207 485561048 /nfs/dbraw/zinc/56/10/48/485561048.db2.gz YJKWRPKZNIHIGI-RCCFBDPRSA-N 2 0 330.476 1.935 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)cc1 ZINC000669567410 485579830 /nfs/dbraw/zinc/57/98/30/485579830.db2.gz ZYCUKJRZFMWWQF-MSOLQXFVSA-N 2 0 330.476 1.684 20 0 EDADRP COc1ccc([C@@H]2C[C@H]2C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000668302312 485580692 /nfs/dbraw/zinc/58/06/92/485580692.db2.gz DUKVJMOQLAXSMO-ZWKOTPCHSA-N 2 0 333.476 1.751 20 0 EDADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669581527 485627995 /nfs/dbraw/zinc/62/79/95/485627995.db2.gz YUWCQTGNCWGLRF-XWTMOSNGSA-N 2 0 342.487 1.804 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)cn1 ZINC000673866110 485847085 /nfs/dbraw/zinc/84/70/85/485847085.db2.gz TYUZMXFBYGOXAR-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP CN(c1ccccc1C[NH+]1CCC(O)(CO)CC1)C1CC[NH+](C)CC1 ZINC000668548259 485880091 /nfs/dbraw/zinc/88/00/91/485880091.db2.gz HUMXWEJRSJWXCN-UHFFFAOYSA-N 2 0 347.503 1.536 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C(C)C ZINC000343307326 485931060 /nfs/dbraw/zinc/93/10/60/485931060.db2.gz YIHBYGONAJBJIQ-MSOLQXFVSA-N 2 0 339.524 1.968 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669397650 486056431 /nfs/dbraw/zinc/05/64/31/486056431.db2.gz VJYDWAPASLVICO-INIZCTEOSA-N 2 0 333.480 1.235 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000669429688 486150887 /nfs/dbraw/zinc/15/08/87/486150887.db2.gz YLJPEZHHWVRHGA-CABCVRRESA-N 2 0 336.505 1.950 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000669483071 486248240 /nfs/dbraw/zinc/24/82/40/486248240.db2.gz NCEJEELBBIHFRX-JQHSSLGASA-N 2 0 346.475 1.409 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669498378 486274353 /nfs/dbraw/zinc/27/43/53/486274353.db2.gz KAMGEAWHAABFHY-IAGOWNOFSA-N 2 0 340.512 1.376 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000668490921 491180265 /nfs/dbraw/zinc/18/02/65/491180265.db2.gz IWVFKVCQTYCABT-SZMVWBNQSA-N 2 0 346.475 1.581 20 0 EDADRP CC1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[NH2+]CC1 ZINC000333869610 517519841 /nfs/dbraw/zinc/51/98/41/517519841.db2.gz UKBOVQPEEYBTSC-INIZCTEOSA-N 2 0 338.496 1.130 20 0 EDADRP CC(=O)NCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132837648 526744589 /nfs/dbraw/zinc/74/45/89/526744589.db2.gz HMGIFJQVUDFYLP-UHFFFAOYSA-N 2 0 332.492 1.833 20 0 EDADRP CCCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000165497003 527775877 /nfs/dbraw/zinc/77/58/77/527775877.db2.gz QLBDCCGFLGIKCB-OALUTQOASA-N 2 0 345.487 1.878 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000166342453 528125019 /nfs/dbraw/zinc/12/50/19/528125019.db2.gz DXPLUJZJYNVSJG-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C(C)C ZINC000153450162 528906018 /nfs/dbraw/zinc/90/60/18/528906018.db2.gz GFSXGWUEDLZCHW-QGZVFWFLSA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000249060602 535110283 /nfs/dbraw/zinc/11/02/83/535110283.db2.gz PEPCUPATXCNTOU-HOTGVXAUSA-N 2 0 343.537 1.144 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC[C@H]2C)C1 ZINC000076150024 535118611 /nfs/dbraw/zinc/11/86/11/535118611.db2.gz CZAPKEUITVQTKU-BRWVUGGUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000345677467 535122793 /nfs/dbraw/zinc/12/27/93/535122793.db2.gz ZHUDUKXQOONSAY-PKOBYXMFSA-N 2 0 347.503 1.980 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000340319722 535143372 /nfs/dbraw/zinc/14/33/72/535143372.db2.gz ZFTYJOGAUYNSHZ-UHFFFAOYSA-N 2 0 325.497 1.412 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(CO)c1)C(=O)NCC[NH+](C)C ZINC000347246767 535323052 /nfs/dbraw/zinc/32/30/52/535323052.db2.gz JLYZDMDWRMDSCF-YJBOKZPZSA-N 2 0 335.492 1.922 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262717007 535527991 /nfs/dbraw/zinc/52/79/91/535527991.db2.gz VWWZJRYXRVGKRX-LJQANCHMSA-N 2 0 332.492 1.832 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000347061255 535638999 /nfs/dbraw/zinc/63/89/99/535638999.db2.gz MLIWXBJPZWGHJD-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000078588020 535645709 /nfs/dbraw/zinc/64/57/09/535645709.db2.gz FMWDZPSZVKQPCH-JKSUJKDBSA-N 2 0 328.501 1.373 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)CC[C@H]21 ZINC000262804299 536379806 /nfs/dbraw/zinc/37/98/06/536379806.db2.gz PORIMHJHUOOWNC-HLLBOEOZSA-N 2 0 331.464 1.364 20 0 EDADRP COCC1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]CC1 ZINC000262546630 536813611 /nfs/dbraw/zinc/81/36/11/536813611.db2.gz RUJYTEKGRAWJEL-ZDUSSCGKSA-N 2 0 325.478 1.483 20 0 EDADRP CC[C@@H](C)[C@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056735 578478064 /nfs/dbraw/zinc/47/80/64/578478064.db2.gz QAOSMSPWFRXGJI-HUUCEWRRSA-N 2 0 336.480 1.861 20 0 EDADRP CN(C[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000729543801 578581933 /nfs/dbraw/zinc/58/19/33/578581933.db2.gz QLJVLFQAKGFRCU-JKSUJKDBSA-N 2 0 341.496 1.632 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccccc3)cn2)CC1 ZINC000729929976 578602660 /nfs/dbraw/zinc/60/26/60/578602660.db2.gz GZLHMFIPRZYZAW-SFHVURJKSA-N 2 0 326.444 1.657 20 0 EDADRP Cc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2ccccn12 ZINC000741220397 578652780 /nfs/dbraw/zinc/65/27/80/578652780.db2.gz PTNLMOUOSLIERN-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC1 ZINC000734276906 578804452 /nfs/dbraw/zinc/80/44/52/578804452.db2.gz UBEQGSPJMWWQEB-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758456564 579982906 /nfs/dbraw/zinc/98/29/06/579982906.db2.gz TUIREELXNSWGIR-OIISXLGYSA-N 2 0 338.496 1.221 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000758494154 579984036 /nfs/dbraw/zinc/98/40/36/579984036.db2.gz OVBYMUGWGJIGJQ-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CC(C(F)F)C1 ZINC000768709393 580218803 /nfs/dbraw/zinc/21/88/03/580218803.db2.gz PFTKGFAQLUQTFL-GPANFISMSA-N 2 0 339.430 1.909 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000769766053 580244473 /nfs/dbraw/zinc/24/44/73/580244473.db2.gz IVQZNTOUBPJJLW-HNNXBMFYSA-N 2 0 343.585 1.064 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000775385803 580389864 /nfs/dbraw/zinc/38/98/64/580389864.db2.gz NEVNUJRNGIJQJZ-KBUPBQIOSA-N 2 0 343.562 1.543 20 0 EDADRP COC(=O)Cc1ccccc1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000778951846 580476496 /nfs/dbraw/zinc/47/64/96/580476496.db2.gz XOUNFMWAAIAZII-UHFFFAOYSA-N 2 0 333.476 1.471 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000793952356 580861698 /nfs/dbraw/zinc/86/16/98/580861698.db2.gz CXYXTUFJDJIEJS-HBFSDRIKSA-N 2 0 343.471 1.034 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)CCC2 ZINC000891853760 590655633 /nfs/dbraw/zinc/65/56/33/590655633.db2.gz SBGBKUOOJFYKNM-UHFFFAOYSA-N 2 0 332.492 1.843 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH2+]CCC23CCC3)CCCO1 ZINC000891854561 590656420 /nfs/dbraw/zinc/65/64/20/590656420.db2.gz CNQNASLWABYEMJ-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000891894104 590676853 /nfs/dbraw/zinc/67/68/53/590676853.db2.gz AULZULNMXMYFRD-PCODUJHASA-N 2 0 330.476 1.929 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000892001994 590738009 /nfs/dbraw/zinc/73/80/09/590738009.db2.gz ZLNHJYYDLMWGCN-RHSMWYFYSA-N 2 0 332.448 1.351 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CCCCC1 ZINC000892006602 590740486 /nfs/dbraw/zinc/74/04/86/590740486.db2.gz JTFLPTBFZAHPLI-QZTJIDSGSA-N 2 0 330.476 1.908 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1ccc(O)c(F)c1)C(=O)NCC[NH+](C)C ZINC000893260093 590740434 /nfs/dbraw/zinc/74/04/34/590740434.db2.gz KCQQXSXYMCPZCZ-HNNXBMFYSA-N 2 0 325.428 1.713 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)N[C@H]3CCC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000892020425 590753574 /nfs/dbraw/zinc/75/35/74/590753574.db2.gz XBQZUTNBQQZFGJ-GBESFXJTSA-N 2 0 342.487 1.997 20 0 EDADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000893302409 590767259 /nfs/dbraw/zinc/76/72/59/590767259.db2.gz FZEJEBZAAUFSIS-GOEBONIOSA-N 2 0 337.489 1.711 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000892041754 590767393 /nfs/dbraw/zinc/76/73/93/590767393.db2.gz VCXWESDDYQYGOE-INIZCTEOSA-N 2 0 328.501 1.504 20 0 EDADRP C[N@H+](CCCO)C1CCN([C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045693 590769593 /nfs/dbraw/zinc/76/95/93/590769593.db2.gz ZRYSXGDHQRHIRA-JKSUJKDBSA-N 2 0 330.444 1.399 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892169001 590839600 /nfs/dbraw/zinc/83/96/00/590839600.db2.gz HUWMOFSEZYWBGR-KURKYZTESA-N 2 0 330.476 1.996 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC3CC(C2)CC1C3 ZINC000892188910 590854910 /nfs/dbraw/zinc/85/49/10/590854910.db2.gz JQOQXFTVCLZWON-CQEXWQOGSA-N 2 0 346.519 1.970 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000892190355 590856366 /nfs/dbraw/zinc/85/63/66/590856366.db2.gz BRZXAQFGNYUDJR-BSDSXHPESA-N 2 0 330.476 1.634 20 0 EDADRP CN1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+](C)CC1 ZINC000888985417 590956013 /nfs/dbraw/zinc/95/60/13/590956013.db2.gz XJNBNLKUFIAKLN-SFHVURJKSA-N 2 0 332.492 1.385 20 0 EDADRP COCCC1(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[NH2+]CC1 ZINC000892376605 591000192 /nfs/dbraw/zinc/00/01/92/591000192.db2.gz AAJOLYHVIGODEX-CQSZACIVSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000893620506 591013565 /nfs/dbraw/zinc/01/35/65/591013565.db2.gz CRUFBLRRRHHULD-GDAAHCPNSA-N 2 0 342.487 1.852 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892430521 591025468 /nfs/dbraw/zinc/02/54/68/591025468.db2.gz JRMPDODQOMFNJC-JCNLHEQBSA-N 2 0 340.512 1.504 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892494318 591048709 /nfs/dbraw/zinc/04/87/09/591048709.db2.gz BPKKUCDFDNEILX-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@]12CN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892547445 591068094 /nfs/dbraw/zinc/06/80/94/591068094.db2.gz XSOMMMVIRYQXEY-PNYFIKQUSA-N 2 0 342.487 1.887 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000892564273 591073869 /nfs/dbraw/zinc/07/38/69/591073869.db2.gz BZTIHVLFPKVSHR-CALCHBBNSA-N 2 0 346.475 1.650 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563200 591074034 /nfs/dbraw/zinc/07/40/34/591074034.db2.gz PZWFPDMNLBNCOZ-IAGOWNOFSA-N 2 0 343.487 1.627 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000891461402 591079262 /nfs/dbraw/zinc/07/92/62/591079262.db2.gz MAYLYCGMKRTWHD-KFWWJZLASA-N 2 0 336.505 1.997 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000891508924 591099193 /nfs/dbraw/zinc/09/91/93/591099193.db2.gz QOOYYNDJDHQHPI-ZBFHGGJFSA-N 2 0 334.464 1.648 20 0 EDADRP CN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000891534637 591111585 /nfs/dbraw/zinc/11/15/85/591111585.db2.gz NPHIBWRNEWKYKZ-ZWKOTPCHSA-N 2 0 332.492 1.895 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000891535535 591111647 /nfs/dbraw/zinc/11/16/47/591111647.db2.gz UFTZPJIVZVGLLK-WMZOPIPTSA-N 2 0 332.492 1.943 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000891544273 591117572 /nfs/dbraw/zinc/11/75/72/591117572.db2.gz BNASRVAELAZLJE-SHTZXODSSA-N 2 0 340.537 1.775 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000892687946 591131446 /nfs/dbraw/zinc/13/14/46/591131446.db2.gz ZEIXXPFAMHWYGS-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577871 591133251 /nfs/dbraw/zinc/13/32/51/591133251.db2.gz SVDRLIJRHAKLJR-PBHICJAKSA-N 2 0 326.485 1.114 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000892695903 591135819 /nfs/dbraw/zinc/13/58/19/591135819.db2.gz DYPWMFRGICEOEI-UHFFFAOYSA-N 2 0 325.478 1.205 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000892735760 591154167 /nfs/dbraw/zinc/15/41/67/591154167.db2.gz PDPWOQNUPCWRQC-HOCLYGCPSA-N 2 0 340.489 1.540 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000891665401 591174632 /nfs/dbraw/zinc/17/46/32/591174632.db2.gz PIGVLXHHHZNEAC-RHSMWYFYSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000891665403 591174647 /nfs/dbraw/zinc/17/46/47/591174647.db2.gz PIGVLXHHHZNEAC-YOEHRIQHSA-N 2 0 332.492 1.976 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000892786340 591176717 /nfs/dbraw/zinc/17/67/17/591176717.db2.gz UNJBFARBKLJPGO-ICSRJNTNSA-N 2 0 342.487 1.876 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892803380 591182955 /nfs/dbraw/zinc/18/29/55/591182955.db2.gz RLBUJQTUDBOYRM-GUDVDZBRSA-N 2 0 342.487 1.827 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817560 591192732 /nfs/dbraw/zinc/19/27/32/591192732.db2.gz DZMHQCFHKXNHEE-DLBZAZTESA-N 2 0 336.480 1.166 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@H](C)N1CCOCC1 ZINC000892837711 591200674 /nfs/dbraw/zinc/20/06/74/591200674.db2.gz FSGBIEGLOSVVOK-CABCVRRESA-N 2 0 326.485 1.127 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891728657 591201230 /nfs/dbraw/zinc/20/12/30/591201230.db2.gz MUZYDHMGSQXQAH-GASCZTMLSA-N 2 0 328.501 1.563 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879372 591214681 /nfs/dbraw/zinc/21/46/81/591214681.db2.gz NMJOIRUBCARWSC-OLZOCXBDSA-N 2 0 349.504 1.639 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNc3cc[nH+]cc3CO)CC2)c1 ZINC000891768425 591217527 /nfs/dbraw/zinc/21/75/27/591217527.db2.gz VGAHSVWHXYGHHS-UHFFFAOYSA-N 2 0 340.471 1.928 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N2CCC([NH3+])(CC)CC2)C1 ZINC000892925730 591227299 /nfs/dbraw/zinc/22/72/99/591227299.db2.gz TUKBTVNMSMJBON-INIZCTEOSA-N 2 0 340.512 1.742 20 0 EDADRP Cc1noc2ncc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)cc12 ZINC000894253638 591249149 /nfs/dbraw/zinc/24/91/49/591249149.db2.gz FWIFNZUZUUGPHX-HNNXBMFYSA-N 2 0 329.448 1.789 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC000893000138 591251198 /nfs/dbraw/zinc/25/11/98/591251198.db2.gz FMNICJIIJORHIL-OTWHNJEPSA-N 2 0 342.487 1.854 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850795 591287749 /nfs/dbraw/zinc/28/77/49/591287749.db2.gz KYWJSKPYFUAXAP-IXDOHACOSA-N 2 0 336.480 1.118 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899437 591299556 /nfs/dbraw/zinc/29/95/56/591299556.db2.gz KTARGHWKXYXZNS-KSZLIROESA-N 2 0 328.460 1.464 20 0 EDADRP CC[N@H+](CCNC(=O)NCC[NH+]1CC[C@H](C)C1)CCC(F)(F)F ZINC000894428420 591309450 /nfs/dbraw/zinc/30/94/50/591309450.db2.gz PEGTXBCCLDGUHH-ZDUSSCGKSA-N 2 0 338.418 1.902 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(O)c(F)c2)(N2CCOCC2)CC1 ZINC000894893704 591461215 /nfs/dbraw/zinc/46/12/15/591461215.db2.gz GSBXTETYVBFISE-UHFFFAOYSA-N 2 0 337.439 1.418 20 0 EDADRP Cc1[nH+]c2cc(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2n1C(CO)CO ZINC000894922686 591477663 /nfs/dbraw/zinc/47/76/63/591477663.db2.gz UCVWWNBKNQRYEX-HOTGVXAUSA-N 2 0 344.459 1.909 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000897481322 591487382 /nfs/dbraw/zinc/48/73/82/591487382.db2.gz CPFQSVZHQWZEEO-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](CCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000897589267 591571766 /nfs/dbraw/zinc/57/17/66/591571766.db2.gz INSSDKWBFLYKET-NXHRZFHOSA-N 2 0 332.492 1.971 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898988480 591627383 /nfs/dbraw/zinc/62/73/83/591627383.db2.gz XQRPBTYAHZOQRO-ROUUACIJSA-N 2 0 329.444 1.098 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000898993408 591633246 /nfs/dbraw/zinc/63/32/46/591633246.db2.gz PTVUYHVMPUKHQY-XHSDSOJGSA-N 2 0 328.501 1.059 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897738509 591657422 /nfs/dbraw/zinc/65/74/22/591657422.db2.gz CPQKHLQRAKEDLC-KRWDZBQOSA-N 2 0 329.444 1.050 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000897058074 591726477 /nfs/dbraw/zinc/72/64/77/591726477.db2.gz LGTPKEKMECKDGB-IBGZPJMESA-N 2 0 345.487 1.606 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898110104 591785526 /nfs/dbraw/zinc/78/55/26/591785526.db2.gz NZLGSYLRXOZYOV-QGZVFWFLSA-N 2 0 335.492 1.356 20 0 EDADRP C[C@@H]1CN(Cc2ccc(S(N)(=O)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000895558157 591801050 /nfs/dbraw/zinc/80/10/50/591801050.db2.gz RVXNYBVVCQPZEI-CQSZACIVSA-N 2 0 346.456 1.440 20 0 EDADRP C[C@@H]1CN(Cc2ccc(S(N)(=O)=O)o2)CCN1c1cc[nH+]cc1 ZINC000895557468 591801095 /nfs/dbraw/zinc/80/10/95/591801095.db2.gz RHNCLGXZMJCAGZ-GFCCVEGCSA-N 2 0 336.417 1.033 20 0 EDADRP CN1C[C@H](O)C[C@@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952698 591839124 /nfs/dbraw/zinc/83/91/24/591839124.db2.gz OZKWVSGKYDHVFN-AEFFLSMTSA-N 2 0 337.508 1.747 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000888255144 591848212 /nfs/dbraw/zinc/84/82/12/591848212.db2.gz JZNFKVYMGOOJTB-UHFFFAOYSA-N 2 0 348.495 1.927 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000900273876 591976193 /nfs/dbraw/zinc/97/61/93/591976193.db2.gz FZKWTXXKIXXHMG-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP Cn1cc([C@]2(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)CCCO2)cn1 ZINC000902462062 592000002 /nfs/dbraw/zinc/00/00/02/592000002.db2.gz SLZMNUHPZHCJIO-WNRNVDISSA-N 2 0 334.464 1.173 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900406555 592010112 /nfs/dbraw/zinc/01/01/12/592010112.db2.gz IYBHDQVVEDFYGR-GGPKGHCWSA-N 2 0 345.487 1.470 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900442344 592019479 /nfs/dbraw/zinc/01/94/79/592019479.db2.gz QDKAZLDYUFMORR-DLBZAZTESA-N 2 0 342.443 1.884 20 0 EDADRP CC[C@@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455019 592022075 /nfs/dbraw/zinc/02/20/75/592022075.db2.gz LYYJQSMGEXRODF-NVXWUHKLSA-N 2 0 334.464 1.117 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000900589649 592061037 /nfs/dbraw/zinc/06/10/37/592061037.db2.gz YPQJEVJBRCAOFT-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000900687126 592094772 /nfs/dbraw/zinc/09/47/72/592094772.db2.gz QVJQACSTQLYOOW-INIZCTEOSA-N 2 0 339.480 1.062 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC000900708285 592100717 /nfs/dbraw/zinc/10/07/17/592100717.db2.gz IDQDGNZOEMABPK-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000900732679 592111954 /nfs/dbraw/zinc/11/19/54/592111954.db2.gz VQQKUPPFKZIXPX-TVPLGVNVSA-N 2 0 337.508 1.556 20 0 EDADRP Cc1ccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c(OCC[NH+](C)C)c1 ZINC000900782666 592122095 /nfs/dbraw/zinc/12/20/95/592122095.db2.gz IZAOWWACLFSAPW-IBGZPJMESA-N 2 0 349.475 1.721 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1Cc1nn(C)c(=O)n1C)C1CC[NH+](C)CC1 ZINC000903096295 592122391 /nfs/dbraw/zinc/12/23/91/592122391.db2.gz XNBQXDBAYOLODA-DJIMGWMZSA-N 2 0 349.523 1.540 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)C1 ZINC000903200394 592134373 /nfs/dbraw/zinc/13/43/73/592134373.db2.gz RRODTWPPVCYLPG-CEXWTWQISA-N 2 0 332.444 1.291 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903459167 592171718 /nfs/dbraw/zinc/17/17/18/592171718.db2.gz RCICXRVNAVOHSR-NFAWXSAZSA-N 2 0 325.478 1.715 20 0 EDADRP COC[C@@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(C)C ZINC000903464121 592172382 /nfs/dbraw/zinc/17/23/82/592172382.db2.gz AQGCLQKBMHCLIC-BMFZPTHFSA-N 2 0 325.453 1.162 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1cc(C)cc(C)c1)C2 ZINC000903491957 592184991 /nfs/dbraw/zinc/18/49/91/592184991.db2.gz HOANMMCQQJPDNH-FCEWJHQRSA-N 2 0 332.444 1.895 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC(c3c[nH]cn3)CC2)CC1 ZINC000900982201 592189136 /nfs/dbraw/zinc/18/91/36/592189136.db2.gz DMNVNCXDMQMESA-UHFFFAOYSA-N 2 0 347.507 1.922 20 0 EDADRP C[C@H]1CCCN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903506979 592198836 /nfs/dbraw/zinc/19/88/36/592198836.db2.gz HSCSBRLOCKYGLI-RYQLBKOJSA-N 2 0 334.508 1.146 20 0 EDADRP C[N@H+](C[C@H]1C[C@@H]([NH3+])C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000904340674 592234472 /nfs/dbraw/zinc/23/44/72/592234472.db2.gz BJFGKZYWBMNWTO-BIMULSAOSA-N 2 0 326.238 1.645 20 0 EDADRP Cn1nc(Br)cc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904393071 592244442 /nfs/dbraw/zinc/24/44/42/592244442.db2.gz IMJZHHSUYIILTK-GFCCVEGCSA-N 2 0 343.269 1.512 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000904472629 592268365 /nfs/dbraw/zinc/26/83/65/592268365.db2.gz NJFHZXHYAYDZEG-MJGOQNOKSA-N 3 0 330.476 1.255 20 0 EDADRP CN(C)[S@](C)(=O)=NCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000904477687 592269787 /nfs/dbraw/zinc/26/97/87/592269787.db2.gz WVTXBIGKBZLIEK-LWCNOGRDSA-N 2 0 342.553 1.803 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CCN(C)CC[N@H+](C)CC2)c1 ZINC000904509772 592273671 /nfs/dbraw/zinc/27/36/71/592273671.db2.gz KYIRZTNMQYBDKT-UHFFFAOYSA-N 2 0 333.480 1.507 20 0 EDADRP O=C(CC1CCCC1)NC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903729524 592287493 /nfs/dbraw/zinc/28/74/93/592287493.db2.gz NYQMHWVDXBPIHE-ICSRJNTNSA-N 2 0 349.519 1.916 20 0 EDADRP O[C@H](CN(Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C[NH+]1CCCC1 ZINC000903745837 592292296 /nfs/dbraw/zinc/29/22/96/592292296.db2.gz SHCBVACDLWOMKK-OALUTQOASA-N 2 0 332.492 1.482 20 0 EDADRP CCO[C@@H]1C[NH2+][C@@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000904628543 592297965 /nfs/dbraw/zinc/29/79/65/592297965.db2.gz VRXGANZEQOYMPK-UONOGXRCSA-N 2 0 347.419 1.512 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739015 592300955 /nfs/dbraw/zinc/30/09/55/592300955.db2.gz AVVDHCVQVMLRHW-AEFFLSMTSA-N 3 0 339.524 1.170 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901243088 592301511 /nfs/dbraw/zinc/30/15/11/592301511.db2.gz XAEKCZIEDOBEID-ROUUACIJSA-N 2 0 343.471 1.081 20 0 EDADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739921 592302125 /nfs/dbraw/zinc/30/21/25/592302125.db2.gz BBRBSAKYUAULOM-SCTDSRPQSA-N 2 0 330.476 1.892 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1ccccc1C[NH3+] ZINC000904662170 592308708 /nfs/dbraw/zinc/30/87/08/592308708.db2.gz WZFQFEABTMMZET-UHFFFAOYSA-N 2 0 333.480 1.635 20 0 EDADRP C(C[N@H+](CC1CC1)C[C@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903765277 592308832 /nfs/dbraw/zinc/30/88/32/592308832.db2.gz GJDIINOQFBJFPY-GOSISDBHSA-N 2 0 337.508 1.189 20 0 EDADRP CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755277 592314094 /nfs/dbraw/zinc/31/40/94/592314094.db2.gz DQNAWZJTAYHXOZ-QZTJIDSGSA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000903793031 592316437 /nfs/dbraw/zinc/31/64/37/592316437.db2.gz LDAMEUALOFKJTC-UHFFFAOYSA-N 2 0 337.489 1.014 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC[C@]23CC[NH2+]C3)ccc1C[NH+](C)C ZINC000906769279 592321582 /nfs/dbraw/zinc/32/15/82/592321582.db2.gz DJXAQBZAJBUJBS-LJQANCHMSA-N 2 0 344.459 1.350 20 0 EDADRP COC(=O)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)c2ncccc12 ZINC000903786671 592322106 /nfs/dbraw/zinc/32/21/06/592322106.db2.gz OCXWQYMSPFSRSK-UHFFFAOYSA-N 2 0 328.416 1.016 20 0 EDADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2[C@@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000903814614 592324009 /nfs/dbraw/zinc/32/40/09/592324009.db2.gz NTFMMDQSUSSOKM-IAGOWNOFSA-N 2 0 335.492 1.750 20 0 EDADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCOCC2)Nc1ccccc1F ZINC000903815660 592324087 /nfs/dbraw/zinc/32/40/87/592324087.db2.gz OBJKJCWPVCUIJU-UHFFFAOYSA-N 2 0 335.423 1.999 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CC[C@@H](Cc2nccs2)C1 ZINC000903832305 592337232 /nfs/dbraw/zinc/33/72/32/592337232.db2.gz PUECCDATMWIMJY-ULQDDVLXSA-N 2 0 331.485 1.938 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000904915750 592344428 /nfs/dbraw/zinc/34/44/28/592344428.db2.gz AXTUVIABWYWKNM-MJGOQNOKSA-N 2 0 332.492 1.609 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886357 592363522 /nfs/dbraw/zinc/36/35/22/592363522.db2.gz QUKPHSBVLVCDMT-SJORKVTESA-N 2 0 347.507 1.084 20 0 EDADRP Cc1cnn([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893280 592365734 /nfs/dbraw/zinc/36/57/34/592365734.db2.gz UIXILZNTAGNSKJ-SJLPKXTDSA-N 2 0 330.480 1.688 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN(CCC[NH3+])Cc2ccccc2)cnn1C ZINC000903905514 592372642 /nfs/dbraw/zinc/37/26/42/592372642.db2.gz IBBODLRAXGSVLQ-SFHVURJKSA-N 2 0 329.492 1.697 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC000903905389 592372859 /nfs/dbraw/zinc/37/28/59/592372859.db2.gz DOMUUJAYPRRSLI-DBVUQKKJSA-N 2 0 341.503 1.520 20 0 EDADRP O=C(NCC1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C(F)(F)F ZINC000903911250 592374720 /nfs/dbraw/zinc/37/47/20/592374720.db2.gz ZWLWONFJKNSAMD-AGUYFDCRSA-N 2 0 333.398 1.908 20 0 EDADRP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913123 592375712 /nfs/dbraw/zinc/37/57/12/592375712.db2.gz NEEVENZZXGILHL-PTGCCPEKSA-N 2 0 347.507 1.964 20 0 EDADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903913122 592376326 /nfs/dbraw/zinc/37/63/26/592376326.db2.gz NEEVENZZXGILHL-FDMITFGQSA-N 2 0 347.507 1.964 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922982 592378745 /nfs/dbraw/zinc/37/87/45/592378745.db2.gz ISGZMKQBLNQISQ-RDJZCZTQSA-N 2 0 328.464 1.109 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cnn1C ZINC000903929753 592382300 /nfs/dbraw/zinc/38/23/00/592382300.db2.gz KRHJTXNVQRKZEZ-UCLAIMLFSA-N 2 0 345.466 1.412 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cnn1C ZINC000903931171 592383373 /nfs/dbraw/zinc/38/33/73/592383373.db2.gz ADDCQGNPKMQVDY-OWYHZJEWSA-N 3 0 349.523 1.207 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933139 592385078 /nfs/dbraw/zinc/38/50/78/592385078.db2.gz YWUAPSSJJYLLRP-IEBWSBKVSA-N 3 0 349.523 1.033 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000905078659 592388339 /nfs/dbraw/zinc/38/83/39/592388339.db2.gz AXEHEEKLXFAGEY-SFHVURJKSA-N 2 0 339.524 1.191 20 0 EDADRP Cc1cc([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000903917942 592390348 /nfs/dbraw/zinc/39/03/48/592390348.db2.gz PCIRFOUXMNSRBH-CABCVRRESA-N 2 0 329.452 1.614 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978208 592399626 /nfs/dbraw/zinc/39/96/26/592399626.db2.gz AAWMYOCQNZBFKP-DGCLKSJQSA-N 2 0 337.361 1.550 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905110946 592411642 /nfs/dbraw/zinc/41/16/42/592411642.db2.gz QHDYQKHBNMGXHN-LBPRGKRZSA-N 2 0 347.372 1.551 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1 ZINC000905097099 592422206 /nfs/dbraw/zinc/42/22/06/592422206.db2.gz OPFYHGVULQDZOR-NZSAHSFTSA-N 2 0 335.492 1.087 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@@H]4C[NH3+])n3)cn2)CC1 ZINC000904103192 592426700 /nfs/dbraw/zinc/42/67/00/592426700.db2.gz QTIQAWAQJXALEW-ZIAGYGMSSA-N 2 0 328.420 1.336 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905147784 592438479 /nfs/dbraw/zinc/43/84/79/592438479.db2.gz MFOXIKYPEYIOAX-PMACEKPBSA-N 2 0 349.519 1.477 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229306 592458388 /nfs/dbraw/zinc/45/83/88/592458388.db2.gz AMFGSLYVRYADGC-SJORKVTESA-N 2 0 328.497 1.523 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000904278354 592467188 /nfs/dbraw/zinc/46/71/88/592467188.db2.gz HNFYSPZHKYETDG-SHTZXODSSA-N 2 0 331.464 1.606 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905294733 592487104 /nfs/dbraw/zinc/48/71/04/592487104.db2.gz JSCSHXWMCVGKNJ-UXHICEINSA-N 2 0 349.519 1.477 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000908424326 592490319 /nfs/dbraw/zinc/49/03/19/592490319.db2.gz YKVGIUNJWGOGME-IBGZPJMESA-N 2 0 336.524 1.347 20 0 EDADRP Cc1c([C@@H]2C[NH2+]C[C@H]2c2nc(CC3CC[NH2+]CC3)no2)cnn1C ZINC000905308955 592500300 /nfs/dbraw/zinc/50/03/00/592500300.db2.gz UKSLRJKMMKTOJO-LSDHHAIUSA-N 2 0 330.436 1.124 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908538023 592529517 /nfs/dbraw/zinc/52/95/17/592529517.db2.gz QGZRDIAICLZCIG-LJQANCHMSA-N 2 0 336.524 1.347 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908542414 592531517 /nfs/dbraw/zinc/53/15/17/592531517.db2.gz ZXFHTJRKQPMMCQ-QGZVFWFLSA-N 2 0 344.459 1.867 20 0 EDADRP CN(C)c1cc[nH+]c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000905524195 592560931 /nfs/dbraw/zinc/56/09/31/592560931.db2.gz GIBAUHSGCZIQKE-HXUWFJFHSA-N 2 0 340.471 1.656 20 0 EDADRP C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000907446829 592659677 /nfs/dbraw/zinc/65/96/77/592659677.db2.gz KWTWREMOTZKKBN-QAPCUYQASA-N 2 0 343.475 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000907559470 592708777 /nfs/dbraw/zinc/70/87/77/592708777.db2.gz LTGWIUAGCUPKBR-UXLLHSPISA-N 2 0 334.464 1.878 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2coc(CN3CC[C@H](O)C3)n2)c1 ZINC000906085209 592738834 /nfs/dbraw/zinc/73/88/34/592738834.db2.gz ISPILHBMGGRHKO-HNNXBMFYSA-N 2 0 344.415 1.555 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000906559371 592844631 /nfs/dbraw/zinc/84/46/31/592844631.db2.gz ZUKFPSTVAGJOMM-UHFFFAOYSA-N 2 0 346.519 1.379 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000910864716 592897962 /nfs/dbraw/zinc/89/79/62/592897962.db2.gz ROAIUGISFAIPRX-UHFFFAOYSA-N 2 0 325.497 1.412 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)CC(C)C ZINC000911069319 592919250 /nfs/dbraw/zinc/91/92/50/592919250.db2.gz RPUFLOWAPGXPQW-PMPSAXMXSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000911823388 593017160 /nfs/dbraw/zinc/01/71/60/593017160.db2.gz YKPAMUUMMNODER-QAPCUYQASA-N 2 0 333.476 1.755 20 0 EDADRP C[C@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC[C@H]1[NH3+] ZINC000911827006 593017700 /nfs/dbraw/zinc/01/77/00/593017700.db2.gz VLXOTSCJGIETAR-ZVWUFJHRSA-N 2 0 329.366 1.560 20 0 EDADRP CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000911892341 593032068 /nfs/dbraw/zinc/03/20/68/593032068.db2.gz KBMASEZRIVDDJA-GBESFXJTSA-N 2 0 345.487 1.829 20 0 EDADRP CN(CCC(=O)NC1CC[NH+](C2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000912347263 593087741 /nfs/dbraw/zinc/08/77/41/593087741.db2.gz PGHRXUAZDCWJNG-UHFFFAOYSA-N 2 0 346.475 1.668 20 0 EDADRP CSC1(CNC(=O)NC[C@H](C)[NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000811890517 593485358 /nfs/dbraw/zinc/48/53/58/593485358.db2.gz TXMFHZYSNPYWJT-HNNXBMFYSA-N 2 0 342.553 1.987 20 0 EDADRP Cn1c2ccc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cc2oc1=O ZINC000816571853 593532190 /nfs/dbraw/zinc/53/21/90/593532190.db2.gz SFXRWTPJTJXYAZ-UHFFFAOYSA-N 2 0 346.475 1.637 20 0 EDADRP [NH3+][C@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859059 593641801 /nfs/dbraw/zinc/64/18/01/593641801.db2.gz OQWKVESHNNOKMS-CVEARBPZSA-N 2 0 331.416 1.661 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2COc3ccccc3[C@H]2O)CC[NH2+]CC1 ZINC000817930584 593649701 /nfs/dbraw/zinc/64/97/01/593649701.db2.gz DJUHJDTZTRLPJW-JLJPHGGASA-N 2 0 348.443 1.392 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](O)c1ccccc1Br ZINC000817934835 593650232 /nfs/dbraw/zinc/65/02/32/593650232.db2.gz JTUSZGYNQXOFRI-FZMZJTMJSA-N 2 0 331.254 1.826 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000819220265 593745195 /nfs/dbraw/zinc/74/51/95/593745195.db2.gz KZNOGIQZPWOLPQ-HIFRSBDPSA-N 2 0 327.469 1.502 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1(C)C ZINC000819287959 593748470 /nfs/dbraw/zinc/74/84/70/593748470.db2.gz SPXUCOSGHAEORV-MRXNPFEDSA-N 2 0 327.419 1.614 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1(C)C ZINC000819286826 593748532 /nfs/dbraw/zinc/74/85/32/593748532.db2.gz KQPYMXKSQBMTKY-INIZCTEOSA-N 2 0 327.419 1.614 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624957 593885964 /nfs/dbraw/zinc/88/59/64/593885964.db2.gz BHAHLOXUAYJTIB-GDBMZVCRSA-N 2 0 342.447 1.662 20 0 EDADRP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC1)C2 ZINC000821323775 594017160 /nfs/dbraw/zinc/01/71/60/594017160.db2.gz HATJCVGEAPFYKU-XNHLSEOASA-N 2 0 334.508 1.098 20 0 EDADRP CN(C)c1ncc(C[N@@H+]2CCC[C@@H]3CC4(CC[C@@H]32)OCCO4)n1C ZINC000822485721 594055680 /nfs/dbraw/zinc/05/56/80/594055680.db2.gz RFKQTTFSKWASCH-ZBFHGGJFSA-N 2 0 334.464 1.994 20 0 EDADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000825627260 594208574 /nfs/dbraw/zinc/20/85/74/594208574.db2.gz IGODDJWTLVFXIC-HOTGVXAUSA-N 2 0 338.496 1.002 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CCCN(C=O)CC1)C1CC[NH+](C)CC1 ZINC000827872302 594293934 /nfs/dbraw/zinc/29/39/34/594293934.db2.gz UOHCKTDTXXAVRZ-UHFFFAOYSA-N 2 0 344.503 1.881 20 0 EDADRP CCCc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc(=O)[nH]1 ZINC000827892877 594299234 /nfs/dbraw/zinc/29/92/34/594299234.db2.gz WKZANWDNJUHFKY-HZPDHXFCSA-N 2 0 348.491 1.551 20 0 EDADRP c1cc(-c2nn[nH]n2)ccc1OCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000826514582 594513460 /nfs/dbraw/zinc/51/34/60/594513460.db2.gz WBQJRSMOQDTGBH-LSDHHAIUSA-N 2 0 328.420 1.462 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC000826555360 594524222 /nfs/dbraw/zinc/52/42/22/594524222.db2.gz BBYRIYCVCBCFJS-MSOLQXFVSA-N 2 0 331.460 1.264 20 0 EDADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000831088603 594552983 /nfs/dbraw/zinc/55/29/83/594552983.db2.gz FTYDEGZLQOICKP-UHFFFAOYSA-N 2 0 331.464 1.582 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829247402 594587261 /nfs/dbraw/zinc/58/72/61/594587261.db2.gz MDRJCWDIFUYILZ-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@H]2CCC[NH+]2C)CCOCC1 ZINC000831584695 594685460 /nfs/dbraw/zinc/68/54/60/594685460.db2.gz DBELKHAIFWEBEI-SFHVURJKSA-N 2 0 345.487 1.878 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000840754687 594815071 /nfs/dbraw/zinc/81/50/71/594815071.db2.gz OCATWUBQSSDCGR-KRWDZBQOSA-N 2 0 326.554 1.866 20 0 EDADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)CC1CC[NH+](C)CC1 ZINC000104084905 594835625 /nfs/dbraw/zinc/83/56/25/594835625.db2.gz XIOAMCXMEKJVRV-UHFFFAOYSA-N 2 0 329.444 1.946 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H](O)c3ccccc3)CC2)C1 ZINC000841004571 594837592 /nfs/dbraw/zinc/83/75/92/594837592.db2.gz LRBMPFHDAIIXSY-UZLBHIALSA-N 2 0 345.487 1.629 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1SCCCS1 ZINC000841393849 594893121 /nfs/dbraw/zinc/89/31/21/594893121.db2.gz UOEIXYWPHONZFW-UHFFFAOYSA-N 2 0 333.567 1.915 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000841847837 594964817 /nfs/dbraw/zinc/96/48/17/594964817.db2.gz VGTJRSBNISOQHV-SUMWQHHRSA-N 2 0 345.443 1.922 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC1CC[NH2+]CC1 ZINC000841923438 594982472 /nfs/dbraw/zinc/98/24/72/594982472.db2.gz GSKYEXNWEOBZJT-UHFFFAOYSA-N 2 0 332.492 1.802 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000842229914 595046073 /nfs/dbraw/zinc/04/60/73/595046073.db2.gz UGNNLXRVUQSGBX-DLBZAZTESA-N 2 0 346.475 1.093 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000842514032 595124452 /nfs/dbraw/zinc/12/44/52/595124452.db2.gz ZIRWWYKCGQKBHO-PKOBYXMFSA-N 2 0 328.460 1.648 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](CCCCCC[NH3+])CC2)n1 ZINC000846220045 595177229 /nfs/dbraw/zinc/17/72/29/595177229.db2.gz JZURMMCFNHAVEU-HNNXBMFYSA-N 2 0 339.484 1.804 20 0 EDADRP CCOC(=O)c1cnc(N2CC[NH+](CCCCCC[NH3+])CC2)s1 ZINC000846221290 595177695 /nfs/dbraw/zinc/17/76/95/595177695.db2.gz WGIMDKNTIHCFGG-UHFFFAOYSA-N 2 0 340.493 1.961 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000843074439 595281251 /nfs/dbraw/zinc/28/12/51/595281251.db2.gz ZTWSXGMRVPLMEG-RHSMWYFYSA-N 2 0 328.403 1.825 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844169641 595289916 /nfs/dbraw/zinc/28/99/16/595289916.db2.gz BLMHIKKKEVMANB-FUHWJXTLSA-N 2 0 331.460 1.754 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(CC[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000843191928 595302369 /nfs/dbraw/zinc/30/23/69/595302369.db2.gz OKTYGGWZORCACR-CYBMUJFWSA-N 2 0 331.420 1.614 20 0 EDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222937 595307432 /nfs/dbraw/zinc/30/74/32/595307432.db2.gz NTKKJCNOYSTNIT-HOTGVXAUSA-N 2 0 346.475 1.521 20 0 EDADRP CC(C)NC(=O)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849056683 595476036 /nfs/dbraw/zinc/47/60/36/595476036.db2.gz BIUDPUPWQFJUCM-UHFFFAOYSA-N 2 0 331.464 1.290 20 0 EDADRP CN(CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000849066938 595477298 /nfs/dbraw/zinc/47/72/98/595477298.db2.gz REYOOVMLGLIPJL-UHFFFAOYSA-N 2 0 329.492 1.859 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000849094311 595480668 /nfs/dbraw/zinc/48/06/68/595480668.db2.gz FDXQNSPSGXXZTC-FUHWJXTLSA-N 2 0 330.476 1.796 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000849095494 595480936 /nfs/dbraw/zinc/48/09/36/595480936.db2.gz AKJQJZKOIQBAQG-OAHLLOKOSA-N 2 0 334.464 1.415 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000849101941 595482031 /nfs/dbraw/zinc/48/20/31/595482031.db2.gz AUTACCLZGPGZDJ-HNNXBMFYSA-N 3 0 339.528 1.474 20 0 EDADRP C[NH+](C)CCCNC(=S)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000849284340 595501377 /nfs/dbraw/zinc/50/13/77/595501377.db2.gz FXZRCZBVLUWNEM-UHFFFAOYSA-N 2 0 349.548 1.709 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CC[NH+](C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849504000 595552902 /nfs/dbraw/zinc/55/29/02/595552902.db2.gz AQIIJQCIQUEMDT-SZMVWBNQSA-N 2 0 347.507 1.302 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000849501589 595553372 /nfs/dbraw/zinc/55/33/72/595553372.db2.gz WXHNAFRVJSHIBM-DLBZAZTESA-N 2 0 333.480 1.058 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C1CC1 ZINC000849514628 595555629 /nfs/dbraw/zinc/55/56/29/595555629.db2.gz CSHLJLXKBSMATG-XYPHTWIQSA-N 2 0 333.480 1.054 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+](C)C2CCCC2)cn1 ZINC000849522716 595557928 /nfs/dbraw/zinc/55/79/28/595557928.db2.gz NOVAIATUDBNLIJ-ROUUACIJSA-N 2 0 347.507 1.446 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527208 595559506 /nfs/dbraw/zinc/55/95/06/595559506.db2.gz ZKTGIKLNBNNBKZ-KZNAEPCWSA-N 2 0 347.507 1.446 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849527206 595560009 /nfs/dbraw/zinc/56/00/09/595560009.db2.gz ZKTGIKLNBNNBKZ-FGTMMUONSA-N 2 0 347.507 1.446 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc21 ZINC000852870716 595590122 /nfs/dbraw/zinc/59/01/22/595590122.db2.gz QIZNXRZVLWNNPW-AWEZNQCLSA-N 2 0 329.404 1.245 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000852871591 595590274 /nfs/dbraw/zinc/59/02/74/595590274.db2.gz UANINZMFLWBUDL-RBSFLKMASA-N 2 0 334.468 1.195 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852883367 595596845 /nfs/dbraw/zinc/59/68/45/595596845.db2.gz JRIRKKLBIZGGFV-MRXNPFEDSA-N 2 0 332.448 1.113 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853126651 595673575 /nfs/dbraw/zinc/67/35/75/595673575.db2.gz PHOGOFZNDATCDG-ICSRJNTNSA-N 2 0 340.471 1.521 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(=O)N3)C2)ccn1 ZINC000856583365 596021610 /nfs/dbraw/zinc/02/16/10/596021610.db2.gz FYXIWFSHYQCZLM-YOEHRIQHSA-N 2 0 332.448 1.265 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(OC)OC)C2)ccn1 ZINC000856583830 596021666 /nfs/dbraw/zinc/02/16/66/596021666.db2.gz APAPRBOHWGFQSP-KRWDZBQOSA-N 2 0 337.464 1.995 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585136 596023568 /nfs/dbraw/zinc/02/35/68/596023568.db2.gz ZSIOBSTWMICKOP-QAPCUYQASA-N 2 0 346.475 1.513 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)C2)ccn1 ZINC000856635372 596041092 /nfs/dbraw/zinc/04/10/92/596041092.db2.gz QYTUBSSJZYRSRF-QZTJIDSGSA-N 2 0 346.475 1.607 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)C[C@@H](C)[NH3+])cc1F ZINC000861649948 596056973 /nfs/dbraw/zinc/05/69/73/596056973.db2.gz VUSXPBMCUFJYJI-ZLDLUXBVSA-N 2 0 338.427 1.268 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000852184111 596074916 /nfs/dbraw/zinc/07/49/16/596074916.db2.gz GBUAJGKENDDFSJ-QGZVFWFLSA-N 2 0 325.497 1.630 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000854641915 596145862 /nfs/dbraw/zinc/14/58/62/596145862.db2.gz HLTFSSAQBIXAJX-RVKKMQEKSA-N 2 0 341.471 1.521 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000852514829 596186682 /nfs/dbraw/zinc/18/66/82/596186682.db2.gz LAOOXNLRILYWGW-WOJBJXKFSA-N 2 0 331.504 1.692 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000857300170 596207945 /nfs/dbraw/zinc/20/79/45/596207945.db2.gz NCWFMFQVYMQVHS-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000852629482 596213034 /nfs/dbraw/zinc/21/30/34/596213034.db2.gz CJNMXHOEABDYEX-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000866814057 596361734 /nfs/dbraw/zinc/36/17/34/596361734.db2.gz JXWVBGDSSLCVBN-INIZCTEOSA-N 2 0 331.526 1.499 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)CC1 ZINC000870923819 596407121 /nfs/dbraw/zinc/40/71/21/596407121.db2.gz ORKMLHDSEBOYMT-RXYDEIHYSA-N 2 0 334.508 1.131 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870942744 596414306 /nfs/dbraw/zinc/41/43/06/596414306.db2.gz UDRDXJUNGOHSDN-TVYUQYBPSA-N 2 0 326.238 1.706 20 0 EDADRP C[NH+]1CCC(NC(=S)Nc2cc(N3CC[NH+](C)CC3)ccn2)CC1 ZINC000865254242 596525247 /nfs/dbraw/zinc/52/52/47/596525247.db2.gz UWIULKTVFPZGFK-UHFFFAOYSA-N 2 0 348.520 1.214 20 0 EDADRP CCC[NH+](C)CC(=O)N1CCCC[C@H]1CNC(=O)C[N@@H+](C)CCC ZINC000871466385 596593067 /nfs/dbraw/zinc/59/30/67/596593067.db2.gz SNCCDEFYPUYBAZ-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1cccc(Br)c1 ZINC000867965096 596637840 /nfs/dbraw/zinc/63/78/40/596637840.db2.gz ZFJOTSVGZGUMFQ-QWHCGFSZSA-N 2 0 326.238 1.707 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(F)c(C=O)c1 ZINC000865783255 596681657 /nfs/dbraw/zinc/68/16/57/596681657.db2.gz JQOHZCVXVOROMO-UHFFFAOYSA-N 2 0 337.439 1.984 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)CC[C@H]21 ZINC000868168645 596708708 /nfs/dbraw/zinc/70/87/08/596708708.db2.gz YVDWNAQNXOUHSL-SUYBPPKGSA-N 2 0 329.448 1.456 20 0 EDADRP CCCCCc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[nH]n1 ZINC000870018277 596710307 /nfs/dbraw/zinc/71/03/07/596710307.db2.gz ZFGVQIZIJBADLI-HZPDHXFCSA-N 2 0 349.523 1.954 20 0 EDADRP CCOc1cccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870018722 596710802 /nfs/dbraw/zinc/71/08/02/596710802.db2.gz GDCZTWVNHNIABD-HZPDHXFCSA-N 2 0 348.491 1.221 20 0 EDADRP Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021392 596711880 /nfs/dbraw/zinc/71/18/80/596711880.db2.gz FAYXGVVTZRCQFY-KBRIMQKVSA-N 2 0 349.523 1.718 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[NH+](CC)CC ZINC000870021301 596712139 /nfs/dbraw/zinc/71/21/39/596712139.db2.gz MYHFKODGKNYOPK-BRWVUGGUSA-N 3 0 326.529 1.305 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](F)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870022098 596712687 /nfs/dbraw/zinc/71/26/87/596712687.db2.gz NWEFAWBTGUFXDQ-KZNAEPCWSA-N 2 0 335.467 1.765 20 0 EDADRP CC(=O)OCC(C)(C)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022349 596712693 /nfs/dbraw/zinc/71/26/93/596712693.db2.gz QRXJYPNJNRKQFU-HZPDHXFCSA-N 2 0 341.496 1.164 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cn2)CC1 ZINC000868191600 596717458 /nfs/dbraw/zinc/71/74/58/596717458.db2.gz UWWDNUISGBTOFP-JKSUJKDBSA-N 2 0 332.452 1.508 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[N@@H+]1C1CC1 ZINC000868231361 596736805 /nfs/dbraw/zinc/73/68/05/596736805.db2.gz DIIOCACUHYJMSE-YJOCZYATSA-N 2 0 342.443 1.181 20 0 EDADRP CC(C)c1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n2ncnc2n1 ZINC000866012716 596758001 /nfs/dbraw/zinc/75/80/01/596758001.db2.gz OQNJSEXIHZTRDN-HUUCEWRRSA-N 2 0 345.495 1.423 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ncnc3c2CCCCC3)C[C@H]1C[NH+](C)C ZINC000866012844 596758091 /nfs/dbraw/zinc/75/80/91/596758091.db2.gz RZMUSWOOVSNPSA-HZPDHXFCSA-N 2 0 331.508 1.921 20 0 EDADRP CC(=O)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n(C)c1 ZINC000866041769 596769928 /nfs/dbraw/zinc/76/99/28/596769928.db2.gz YQXTWNXIHSYBBK-HZPDHXFCSA-N 2 0 334.464 1.039 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccccc2F)C[C@H]1C[NH+](C)C ZINC000866040730 596770078 /nfs/dbraw/zinc/77/00/78/596770078.db2.gz GAHUVHMOGSCUBO-HZPDHXFCSA-N 2 0 336.455 1.707 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[N@@H+](C)C(C)(C)CC2)c1 ZINC000868296924 596773574 /nfs/dbraw/zinc/77/35/74/596773574.db2.gz CBTDUNYHLWWPKT-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@@H]3O2)CC1 ZINC000872145814 596810592 /nfs/dbraw/zinc/81/05/92/596810592.db2.gz ZLKAJJOZFZAUSS-YYESSZKYSA-N 2 0 335.448 1.201 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])c1 ZINC000872155653 596815651 /nfs/dbraw/zinc/81/56/51/596815651.db2.gz XPQAASREPADWTF-CQSZACIVSA-N 2 0 334.464 1.824 20 0 EDADRP CCC(CC)(C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C(F)(F)F ZINC000872226681 596844473 /nfs/dbraw/zinc/84/44/73/596844473.db2.gz RQYSKPDSAOGXFO-ZDUSSCGKSA-N 2 0 325.419 1.553 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC[NH+](C)CC1 ZINC000866491940 596892994 /nfs/dbraw/zinc/89/29/94/596892994.db2.gz BHHGMAOXMVHULU-IMJJTQAJSA-N 2 0 341.496 1.677 20 0 EDADRP CC[C@@H](C)[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OC ZINC000875632136 596927606 /nfs/dbraw/zinc/92/76/06/596927606.db2.gz UCVZHUWHEAOZOZ-VQHPVUNQSA-N 2 0 342.528 1.428 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CCC1(C)C ZINC000875747016 596971091 /nfs/dbraw/zinc/97/10/91/596971091.db2.gz GILDJBMLIKCHQH-MRXNPFEDSA-N 2 0 338.496 1.365 20 0 EDADRP CS[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000876059799 597074477 /nfs/dbraw/zinc/07/44/77/597074477.db2.gz YVTPWXXVGOGBOM-KBUPBQIOSA-N 2 0 328.526 1.261 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000876203975 597134180 /nfs/dbraw/zinc/13/41/80/597134180.db2.gz SCGLZONRHHJNND-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCCc3cc(C[NH3+])ccc32)cn1 ZINC000876529936 597231683 /nfs/dbraw/zinc/23/16/83/597231683.db2.gz OZGFCVABRXQKSW-UHFFFAOYSA-N 2 0 327.432 1.496 20 0 EDADRP Cc1cc([C@@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)n(C)n1 ZINC000873245266 597237895 /nfs/dbraw/zinc/23/78/95/597237895.db2.gz YKVBEZIHJZBJTE-CYBMUJFWSA-N 2 0 325.420 1.619 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nn(C)cc2C(F)F)CC[NH2+]CC1 ZINC000873261722 597241807 /nfs/dbraw/zinc/24/18/07/597241807.db2.gz GNTUYNNQBGGPGN-LLVKDONJSA-N 2 0 344.406 1.769 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000873332797 597259296 /nfs/dbraw/zinc/25/92/96/597259296.db2.gz MLKBLVPVQRNGCA-GFCCVEGCSA-N 2 0 336.402 1.926 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000876718165 597303126 /nfs/dbraw/zinc/30/31/26/597303126.db2.gz MNWCWRWJCHONJT-HZPDHXFCSA-N 2 0 333.480 1.672 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876725634 597307364 /nfs/dbraw/zinc/30/73/64/597307364.db2.gz VQNATMNZJSZOHN-MRXNPFEDSA-N 2 0 335.496 1.968 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876754655 597322799 /nfs/dbraw/zinc/32/27/99/597322799.db2.gz GQMHYQZISMLIFG-AWEZNQCLSA-N 2 0 341.459 1.834 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000876840280 597355144 /nfs/dbraw/zinc/35/51/44/597355144.db2.gz NZNYTDGQXUBZBF-IPMKNSEASA-N 2 0 339.439 1.518 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000876864167 597361463 /nfs/dbraw/zinc/36/14/63/597361463.db2.gz NZTMGTALWCYXNN-SNVBAGLBSA-N 2 0 332.420 1.631 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000876877790 597366027 /nfs/dbraw/zinc/36/60/27/597366027.db2.gz HYRZSQDUHVZBDL-SFHVURJKSA-N 2 0 332.492 1.042 20 0 EDADRP CC1(C)[C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C[C@@H]1[NH3+] ZINC000876888540 597370556 /nfs/dbraw/zinc/37/05/56/597370556.db2.gz DTPSCHDECZPBRB-IRXDYDNUSA-N 2 0 337.508 1.711 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC3CCC2CC3)C[C@H]1C[NH+](C)C ZINC000875393955 597411807 /nfs/dbraw/zinc/41/18/07/597411807.db2.gz ZBUQGHMQQFVTNS-ILEACXBISA-N 2 0 336.524 1.946 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NCC2CCS(=O)(=O)CC2)CC1 ZINC000877122773 597437629 /nfs/dbraw/zinc/43/76/29/597437629.db2.gz HGTBTNBUIRXJBZ-UHFFFAOYSA-N 2 0 338.477 1.070 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[C@H](C)C3CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC000877236200 597473659 /nfs/dbraw/zinc/47/36/59/597473659.db2.gz XKRPZVBHOHAZQO-ZOCIIQOWSA-N 2 0 345.487 1.974 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[NH2+]CCC3(F)F)C[C@H]2[NH3+])cc1 ZINC000877237996 597474054 /nfs/dbraw/zinc/47/40/54/597474054.db2.gz SJFVHOQCVVHKAK-SOUVJXGZSA-N 2 0 339.386 1.193 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245729 597477283 /nfs/dbraw/zinc/47/72/83/597477283.db2.gz JAQPJPNAWIHKJA-FZKCQIBNSA-N 2 0 331.464 1.376 20 0 EDADRP CC(C)(C)OC(=O)NC/C=C\C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877490533 597524285 /nfs/dbraw/zinc/52/42/85/597524285.db2.gz YLMYJPNWWJHWFM-SREVYHEPSA-N 2 0 341.496 1.892 20 0 EDADRP CCOC(=O)c1ccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)[nH]1 ZINC000877664408 597546042 /nfs/dbraw/zinc/54/60/42/597546042.db2.gz OERZGBWDNUECMI-UHFFFAOYSA-N 2 0 337.464 1.982 20 0 EDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000877711253 597549359 /nfs/dbraw/zinc/54/93/59/597549359.db2.gz ARXQBSJJZKIPMO-UHFFFAOYSA-N 2 0 325.478 1.687 20 0 EDADRP CN(CC[N@H+](C)C[C@@H](O)CC1(CO)CCCC1)C1CC[NH+](C)CC1 ZINC000878311312 597594531 /nfs/dbraw/zinc/59/45/31/597594531.db2.gz HYLLEGPYBCIFHU-SFHVURJKSA-N 2 0 341.540 1.248 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000883323040 597713783 /nfs/dbraw/zinc/71/37/83/597713783.db2.gz DLOXEEKPCMYOKN-OALUTQOASA-N 2 0 344.503 1.944 20 0 EDADRP Brc1ccccc1CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000883430286 597744141 /nfs/dbraw/zinc/74/41/41/597744141.db2.gz RJKGIKSWTNNVOI-HNNXBMFYSA-N 2 0 338.293 1.971 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000883473786 597764307 /nfs/dbraw/zinc/76/43/07/597764307.db2.gz NCVIZAMQRUHRLW-OAHLLOKOSA-N 2 0 325.478 1.511 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000883503986 597778444 /nfs/dbraw/zinc/77/84/44/597778444.db2.gz VBNQLMSEMFFKAH-BZUAXINKSA-N 2 0 343.475 1.927 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950970 597780858 /nfs/dbraw/zinc/78/08/58/597780858.db2.gz FTRFDCMIMVHQIJ-KRWDZBQOSA-N 2 0 327.513 1.266 20 0 EDADRP COCC[N@H+](C[C@H](O)C[C@](C)(O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879125786 597827812 /nfs/dbraw/zinc/82/78/12/597827812.db2.gz IRWYHSWROOJBRN-MSOLQXFVSA-N 2 0 328.497 1.189 20 0 EDADRP CCC1(CC)CCC[N@@H+]1CC(=O)NCC(C)(C)N1CCOCC1 ZINC000880095944 597840078 /nfs/dbraw/zinc/84/00/78/597840078.db2.gz VCKRYOWHCFCENW-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)N(C)C2(C[NH3+])CCCCC2)C1 ZINC000883652906 597848294 /nfs/dbraw/zinc/84/82/94/597848294.db2.gz GGPXZVKITNMXBY-OAHLLOKOSA-N 2 0 338.496 1.049 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000883801674 597907293 /nfs/dbraw/zinc/90/72/93/597907293.db2.gz ITJVGSYHOJNMRZ-MSOLQXFVSA-N 2 0 330.476 1.963 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)CC1(O)CCOCC1 ZINC000880517395 597953102 /nfs/dbraw/zinc/95/31/02/597953102.db2.gz PZHUIXSLXNMMQD-QGZVFWFLSA-N 2 0 328.497 1.477 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000882484038 597972414 /nfs/dbraw/zinc/97/24/14/597972414.db2.gz QQLDSVIALCOPMX-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000884188784 598019852 /nfs/dbraw/zinc/01/98/52/598019852.db2.gz PDFLIYRMGBPDGJ-HOTGVXAUSA-N 2 0 339.867 1.957 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884199283 598025603 /nfs/dbraw/zinc/02/56/03/598025603.db2.gz VPZNZNVDDUNVMY-QGZVFWFLSA-N 2 0 344.459 1.265 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884200493 598026259 /nfs/dbraw/zinc/02/62/59/598026259.db2.gz CVLYDWYWUJEROV-HZPDHXFCSA-N 2 0 345.491 1.341 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884221380 598033401 /nfs/dbraw/zinc/03/34/01/598033401.db2.gz QNBXVTXKDHDXLK-KRWDZBQOSA-N 2 0 345.491 1.486 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000884229129 598037253 /nfs/dbraw/zinc/03/72/53/598037253.db2.gz INPXAUQJCXIPCG-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000884239256 598039534 /nfs/dbraw/zinc/03/95/34/598039534.db2.gz QISFDUGQSHQVCY-WBVHZDCISA-N 2 0 331.460 1.889 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000884239253 598039543 /nfs/dbraw/zinc/03/95/43/598039543.db2.gz QISFDUGQSHQVCY-DOTOQJQBSA-N 2 0 331.460 1.889 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000884239723 598039558 /nfs/dbraw/zinc/03/95/58/598039558.db2.gz ZUZJIFLBFRVOCN-DLBZAZTESA-N 2 0 343.475 1.095 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884246125 598041982 /nfs/dbraw/zinc/04/19/82/598041982.db2.gz KCHGJMNKKPLRBX-UHFFFAOYSA-N 2 0 341.415 1.081 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000884248486 598043055 /nfs/dbraw/zinc/04/30/55/598043055.db2.gz SHLWTLQYRJECBB-PQEBFOHHSA-N 2 0 327.428 1.888 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Br)cc1 ZINC000884299025 598058721 /nfs/dbraw/zinc/05/87/21/598058721.db2.gz JUPPRFCHOXMBOQ-MNOVXSKESA-N 2 0 348.191 1.562 20 0 EDADRP CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H]([NH3+])CC3CC3)c2)CC1 ZINC000884324346 598067540 /nfs/dbraw/zinc/06/75/40/598067540.db2.gz NZZRUOYYHZICMG-SFHVURJKSA-N 2 0 344.459 1.417 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000884327736 598069477 /nfs/dbraw/zinc/06/94/77/598069477.db2.gz AWXFNZPWVLVIQF-SJLPKXTDSA-N 2 0 331.460 1.841 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000884370587 598084136 /nfs/dbraw/zinc/08/41/36/598084136.db2.gz OODLHNZHIIULAG-HNNXBMFYSA-N 2 0 331.460 1.889 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC[N@@H+]1CCCOCC1 ZINC000884373083 598084616 /nfs/dbraw/zinc/08/46/16/598084616.db2.gz BNUWFWCTPMMSJR-MRXNPFEDSA-N 2 0 347.463 1.024 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000914316225 695353754 /nfs/dbraw/zinc/35/37/54/695353754.db2.gz MPBREKCJONWMJA-SOUVJXGZSA-N 2 0 326.510 1.350 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992909481 695446019 /nfs/dbraw/zinc/44/60/19/695446019.db2.gz RBKYGEXUWXRQJQ-BPQIPLTHSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cscn3)[C@H]2C1 ZINC000992924382 695456218 /nfs/dbraw/zinc/45/62/18/695456218.db2.gz XMPVHHYDEKZPLA-XIRDDKMYSA-N 2 0 348.516 1.956 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000925412749 695558259 /nfs/dbraw/zinc/55/82/59/695558259.db2.gz XRXRJVKWBQLHNP-AEFFLSMTSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000915154164 695753096 /nfs/dbraw/zinc/75/30/96/695753096.db2.gz UTNUXFFDPOUKJE-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263838 696075693 /nfs/dbraw/zinc/07/56/93/696075693.db2.gz BWTUDAICCZBAJH-WBVHZDCISA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000993987263 696482930 /nfs/dbraw/zinc/48/29/30/696482930.db2.gz MFCZJXNZKWMNQS-WMLDXEAASA-N 2 0 333.480 1.437 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000916332771 696652479 /nfs/dbraw/zinc/65/24/79/696652479.db2.gz YUDHJAXXDXWMIH-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000940008422 700110320 /nfs/dbraw/zinc/11/03/20/700110320.db2.gz MUDLXSPWPCBCCH-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)N1CCN(CCCOC(C)(C)C)CC1 ZINC000925431994 696808374 /nfs/dbraw/zinc/80/83/74/696808374.db2.gz KKVLUMFUIDMCSK-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940008697 700110740 /nfs/dbraw/zinc/11/07/40/700110740.db2.gz YNLCFFASENSMKQ-MRXNPFEDSA-N 2 0 334.464 1.802 20 0 EDADRP CN1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940024339 700122713 /nfs/dbraw/zinc/12/27/13/700122713.db2.gz GQCNNYOMXSVKKJ-AWEZNQCLSA-N 2 0 345.434 1.333 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031576696 697271932 /nfs/dbraw/zinc/27/19/32/697271932.db2.gz CXPYJLSEZNENBE-GOSISDBHSA-N 2 0 331.460 1.380 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)CC1 ZINC001040849705 697345358 /nfs/dbraw/zinc/34/53/58/697345358.db2.gz UUFJDBUULUGFLW-IRXDYDNUSA-N 2 0 337.508 1.678 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1)C1CCC1 ZINC001031667012 697447946 /nfs/dbraw/zinc/44/79/46/697447946.db2.gz VNGOPXCSGVHBOD-MSOLQXFVSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1oncc1CN1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031706991 697696012 /nfs/dbraw/zinc/69/60/12/697696012.db2.gz OZIZUFOFFUJKOA-UHFFFAOYSA-N 2 0 348.472 1.968 20 0 EDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337268 698155146 /nfs/dbraw/zinc/15/51/46/698155146.db2.gz YKXMXILSCHDRJJ-MAUKXSAKSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940108289 700220522 /nfs/dbraw/zinc/22/05/22/700220522.db2.gz BRJOTMOCVWYXLW-MRXNPFEDSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940110482 700224209 /nfs/dbraw/zinc/22/42/09/700224209.db2.gz ZPCIHNGJKBHCJF-INIZCTEOSA-N 2 0 348.495 1.159 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cscn3)CC2)CC[N@@H+]1C ZINC000940117407 700250027 /nfs/dbraw/zinc/25/00/27/700250027.db2.gz RCMKHBRRJMDSAS-UKRRQHHQSA-N 2 0 336.505 1.954 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764731 699049724 /nfs/dbraw/zinc/04/97/24/699049724.db2.gz MIQOTUVRDKTDOA-KRWDZBQOSA-N 2 0 349.519 1.727 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@H+]3C)C2)s1 ZINC001031774351 699145404 /nfs/dbraw/zinc/14/54/04/699145404.db2.gz XZGWEDCECBUHIW-HNNXBMFYSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)ccc2c[nH+]cn21 ZINC001031800653 699320373 /nfs/dbraw/zinc/32/03/73/699320373.db2.gz XVPFYOSJFHULMN-KRWDZBQOSA-N 2 0 342.443 1.873 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939394504 699544763 /nfs/dbraw/zinc/54/47/63/699544763.db2.gz CALBXQDQZKXUNH-NVXWUHKLSA-N 2 0 333.480 1.089 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)n1 ZINC000939398932 699548172 /nfs/dbraw/zinc/54/81/72/699548172.db2.gz TYTSQYWNAYLOKG-FUHWJXTLSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccc1 ZINC000939420132 699556626 /nfs/dbraw/zinc/55/66/26/699556626.db2.gz DJJQOSRMCOBKTL-LPHOPBHVSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCc1ccccc1F ZINC000939549815 699673223 /nfs/dbraw/zinc/67/32/23/699673223.db2.gz DGLLVWQEJCLZRE-QAPCUYQASA-N 2 0 345.462 1.901 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939549588 699675222 /nfs/dbraw/zinc/67/52/22/699675222.db2.gz BNGWUYXZZDERCT-WBMJQRKESA-N 2 0 343.431 1.694 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000939551268 699700480 /nfs/dbraw/zinc/70/04/80/699700480.db2.gz RTLZIDBJNWPMEV-IUODEOHRSA-N 2 0 332.448 1.324 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941677107 701615733 /nfs/dbraw/zinc/61/57/33/701615733.db2.gz KYBFOESVZPXUTG-IRXDYDNUSA-N 2 0 348.535 1.488 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810201 699958457 /nfs/dbraw/zinc/95/84/57/699958457.db2.gz LIRXZGVNBBRFRC-PBHICJAKSA-N 2 0 334.464 1.796 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940143466 700272446 /nfs/dbraw/zinc/27/24/46/700272446.db2.gz WLKVUCVSTNMIJA-KRWDZBQOSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)n1 ZINC000940153961 700283424 /nfs/dbraw/zinc/28/34/24/700283424.db2.gz IFCZGYZZLWUFRX-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000940159816 700292708 /nfs/dbraw/zinc/29/27/08/700292708.db2.gz XBWCRXTUHPBJQI-HNNXBMFYSA-N 2 0 349.479 1.723 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995166643 701627541 /nfs/dbraw/zinc/62/75/41/701627541.db2.gz GMIHEADHKHOEHT-KBPBESRZSA-N 2 0 349.504 1.317 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000940296619 700468676 /nfs/dbraw/zinc/46/86/76/700468676.db2.gz QLMLTWCWUOPTNE-NVXWUHKLSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)nn1C ZINC000940328420 700507051 /nfs/dbraw/zinc/50/70/51/700507051.db2.gz JQJCIZAVQLGAQQ-OAHLLOKOSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC000940329574 700509012 /nfs/dbraw/zinc/50/90/12/700509012.db2.gz VNLHUCDLYHXTMT-HNNXBMFYSA-N 2 0 345.491 1.598 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000940329877 700509781 /nfs/dbraw/zinc/50/97/81/700509781.db2.gz ZDKMFZDIHWQECB-HOCLYGCPSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000940426093 700619733 /nfs/dbraw/zinc/61/97/33/700619733.db2.gz FLEPLCWSCPUUHR-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168165 701659066 /nfs/dbraw/zinc/65/90/66/701659066.db2.gz MVFUWFHYRYMNTL-LSDHHAIUSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940472013 700657141 /nfs/dbraw/zinc/65/71/41/700657141.db2.gz GFLHUVFZQJDIKF-HZPDHXFCSA-N 2 0 345.491 1.820 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)(NCc3noc(C4CC4)n3)CC2)C1 ZINC000940457324 700660939 /nfs/dbraw/zinc/66/09/39/700660939.db2.gz AFYPKLWDLKAQIB-CQSZACIVSA-N 2 0 347.463 1.369 20 0 EDADRP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000940461773 700665166 /nfs/dbraw/zinc/66/51/66/700665166.db2.gz KBFHPAFGFLIGCM-UHFFFAOYSA-N 2 0 346.475 1.657 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3csnn3)C2)CC1 ZINC000995081664 700699616 /nfs/dbraw/zinc/69/96/16/700699616.db2.gz VWBLZZOJAVQMDJ-JSGCOSHPSA-N 2 0 337.493 1.254 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cccnc2)CC1(C)C ZINC000940621753 700783206 /nfs/dbraw/zinc/78/32/06/700783206.db2.gz VIDMSVYLZKMPGJ-IAGOWNOFSA-N 2 0 330.476 1.893 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995099852 700886039 /nfs/dbraw/zinc/88/60/39/700886039.db2.gz ARDREPQIESWRRV-CVEARBPZSA-N 2 0 347.507 1.527 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC000995102604 700910425 /nfs/dbraw/zinc/91/04/25/700910425.db2.gz INAYNPHIVFKLAK-WBVHZDCISA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000940831060 700930812 /nfs/dbraw/zinc/93/08/12/700930812.db2.gz DEXWUOUZGXXTIG-MRXNPFEDSA-N 2 0 337.508 1.462 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)CC1 ZINC000995111944 701008605 /nfs/dbraw/zinc/00/86/05/701008605.db2.gz KMFKEBVMWQZKAZ-CVEARBPZSA-N 2 0 334.464 1.781 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940972634 701014726 /nfs/dbraw/zinc/01/47/26/701014726.db2.gz OMZVTAISCFLFJH-IRXDYDNUSA-N 2 0 339.524 1.708 20 0 EDADRP CO[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031917556 701017724 /nfs/dbraw/zinc/01/77/24/701017724.db2.gz AIZITMLFFWVOML-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001031920908 701059931 /nfs/dbraw/zinc/05/99/31/701059931.db2.gz CPTKEISOEAXDRX-OAHLLOKOSA-N 2 0 345.434 1.189 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCN(Cc3ncccn3)CC2(C)C)C1 ZINC000941163983 701229159 /nfs/dbraw/zinc/22/91/59/701229159.db2.gz RCPDIPZXTZOCHS-JKSUJKDBSA-N 2 0 345.491 1.535 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169142 706597587 /nfs/dbraw/zinc/59/75/87/706597587.db2.gz ITQYAVQXMSXZJK-WMZOPIPTSA-N 2 0 346.475 1.714 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ccnn3C)C2)CC1 ZINC000995131053 701398536 /nfs/dbraw/zinc/39/85/36/701398536.db2.gz DUQSSUFIFGLCNP-IAGOWNOFSA-N 2 0 347.507 1.527 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218193 701408860 /nfs/dbraw/zinc/40/88/60/701408860.db2.gz WZAPCQWKUQEYGP-HOTGVXAUSA-N 2 0 333.480 1.089 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941344089 701480199 /nfs/dbraw/zinc/48/01/99/701480199.db2.gz CAAOMUGTEGTUDR-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461102 701544539 /nfs/dbraw/zinc/54/45/39/701544539.db2.gz YZGGOYRYVLVRND-FUHWJXTLSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1nc(CN[C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174055 706605681 /nfs/dbraw/zinc/60/56/81/706605681.db2.gz NTTPLRIJKZTQEG-RDJZCZTQSA-N 2 0 348.516 1.874 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031977132 702012150 /nfs/dbraw/zinc/01/21/50/702012150.db2.gz XBYMIGPARWLAFC-KSSFIOAISA-N 2 0 349.450 1.450 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC000999191508 706634017 /nfs/dbraw/zinc/63/40/17/706634017.db2.gz YSFZXYOVGVQFGQ-KBRIMQKVSA-N 2 0 334.439 1.642 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001031978761 702105663 /nfs/dbraw/zinc/10/56/63/702105663.db2.gz WNJNECVTVVSPEV-KSSFIOAISA-N 2 0 331.460 1.441 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]([NH2+]CC3CC3)C(C)(C)C2)n1 ZINC000995816132 702130717 /nfs/dbraw/zinc/13/07/17/702130717.db2.gz UHQXFGWIOXSDMK-INIZCTEOSA-N 2 0 333.480 1.295 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001031980610 702141731 /nfs/dbraw/zinc/14/17/31/702141731.db2.gz WQTDQHRSUKXGRR-RHSMWYFYSA-N 2 0 335.517 1.926 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893692 702195185 /nfs/dbraw/zinc/19/51/85/702195185.db2.gz IRGXJSWRIGZPIK-DLBZAZTESA-N 2 0 347.507 1.395 20 0 EDADRP Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182365 702196664 /nfs/dbraw/zinc/19/66/64/702196664.db2.gz KYLZQYPDQNBYON-IBGZPJMESA-N 2 0 329.488 1.927 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1)C1CC1 ZINC000995900587 702206941 /nfs/dbraw/zinc/20/69/41/702206941.db2.gz YNAMYHHJGJHCFH-LSDHHAIUSA-N 2 0 336.505 1.810 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1)[NH+](C)C ZINC000995928374 702258221 /nfs/dbraw/zinc/25/82/21/702258221.db2.gz TXYAHFMQWCJZDJ-CVEARBPZSA-N 2 0 335.496 1.296 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999221933 706655446 /nfs/dbraw/zinc/65/54/46/706655446.db2.gz FBVLRJOGHHSGRM-UHFFFAOYSA-N 2 0 333.480 1.374 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995964426 702309897 /nfs/dbraw/zinc/30/98/97/702309897.db2.gz APPVOMDRKSTWQA-HZPDHXFCSA-N 2 0 347.507 1.714 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC000995982413 702342009 /nfs/dbraw/zinc/34/20/09/702342009.db2.gz ALGUNYCKVGSIJZ-HOCLYGCPSA-N 2 0 339.524 1.847 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cccnc2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153626 702442175 /nfs/dbraw/zinc/44/21/75/702442175.db2.gz IKBIMOPDWLFMKB-NVXWUHKLSA-N 2 0 328.460 1.504 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995549998 702540387 /nfs/dbraw/zinc/54/03/87/702540387.db2.gz GUSRTTIEZQSOHI-HOTGVXAUSA-N 2 0 346.475 1.511 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCCO2)CC1 ZINC001032665860 706678750 /nfs/dbraw/zinc/67/87/50/706678750.db2.gz JRPRSXFPHFBOOT-FHWLQOOXSA-N 2 0 349.519 1.963 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098990 702593661 /nfs/dbraw/zinc/59/36/61/702593661.db2.gz FGITYBUEGXGPSU-HIFRSBDPSA-N 2 0 339.505 1.896 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@H]3CCCOC3)C(C)(C)C2)CC1 ZINC000996248833 702651289 /nfs/dbraw/zinc/65/12/89/702651289.db2.gz ORTDPMAGNXIXTQ-WBVHZDCISA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)ncn1 ZINC000996251231 702652954 /nfs/dbraw/zinc/65/29/54/702652954.db2.gz ZYPLUXQMUWREAA-DLBZAZTESA-N 2 0 347.507 1.698 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300393 702691595 /nfs/dbraw/zinc/69/15/95/702691595.db2.gz LHNIUMSLCSIZKI-SUMWQHHRSA-N 2 0 329.460 1.018 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300461 702692232 /nfs/dbraw/zinc/69/22/32/702692232.db2.gz MPPQGIKFYRQBLQ-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300470 702692303 /nfs/dbraw/zinc/69/23/03/702692303.db2.gz MQSQJZFUDBFXRZ-PBHICJAKSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300460 702692341 /nfs/dbraw/zinc/69/23/41/702692341.db2.gz MPPQGIKFYRQBLQ-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cnc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)nc1 ZINC000996301453 702693553 /nfs/dbraw/zinc/69/35/53/702693553.db2.gz SZPIEHBEFUHQGR-GOEBONIOSA-N 2 0 345.491 1.453 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311181 702700357 /nfs/dbraw/zinc/70/03/57/702700357.db2.gz QHSYZGPVSPOIGL-HZPDHXFCSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1)[NH+](C)C ZINC000996316176 702704439 /nfs/dbraw/zinc/70/44/39/702704439.db2.gz YEXXHISGPJMTBJ-HOTGVXAUSA-N 2 0 335.496 1.395 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)[C@@H](c2ccccc2)C1 ZINC000996333557 702716936 /nfs/dbraw/zinc/71/69/36/702716936.db2.gz DJWKMLBLNKWJIS-SQNIBIBYSA-N 2 0 345.487 1.151 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384575 702748995 /nfs/dbraw/zinc/74/89/95/702748995.db2.gz ANDWDWIGSFHPSC-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000996465546 702792759 /nfs/dbraw/zinc/79/27/59/702792759.db2.gz VGYWXOGLVTXUQR-YJBOKZPZSA-N 2 0 345.491 1.991 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996452201 702797395 /nfs/dbraw/zinc/79/73/95/702797395.db2.gz JLPVWSFNLHPSSX-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996452216 702797427 /nfs/dbraw/zinc/79/74/27/702797427.db2.gz JLPVWSFNLHPSSX-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)sn1 ZINC000996559158 702871978 /nfs/dbraw/zinc/87/19/78/702871978.db2.gz BVASRKOSMKIPBD-QGZVFWFLSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000996559192 702873149 /nfs/dbraw/zinc/87/31/49/702873149.db2.gz CERGXDDNTPMTNH-GOSISDBHSA-N 2 0 343.475 1.207 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996562834 702876937 /nfs/dbraw/zinc/87/69/37/702876937.db2.gz XQQCZWMQBZUXCN-GOSISDBHSA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC([NH2+]CCC3CC3)CC2)n1 ZINC000996580077 702891628 /nfs/dbraw/zinc/89/16/28/702891628.db2.gz HHRBLKWRSRGXDH-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610816 702915688 /nfs/dbraw/zinc/91/56/88/702915688.db2.gz KVLFOXMFVFBIJL-DZGCQCFKSA-N 2 0 336.505 1.730 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000996614126 702919237 /nfs/dbraw/zinc/91/92/37/702919237.db2.gz YVUSSNLKBPOFTO-AWEZNQCLSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996610073 702921180 /nfs/dbraw/zinc/92/11/80/702921180.db2.gz YBZOZBIMUANCQD-NVXWUHKLSA-N 2 0 330.476 1.811 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624205 702921653 /nfs/dbraw/zinc/92/16/53/702921653.db2.gz WYLRFMWILURYFW-ROUUACIJSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)ncn1 ZINC000996615923 702923412 /nfs/dbraw/zinc/92/34/12/702923412.db2.gz RXIKIVRVOYROTB-GOEBONIOSA-N 2 0 331.464 1.063 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC000996646133 702948132 /nfs/dbraw/zinc/94/81/32/702948132.db2.gz QFHYLMMDPYGWKG-SFHVURJKSA-N 2 0 347.507 1.858 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000996667997 702965193 /nfs/dbraw/zinc/96/51/93/702965193.db2.gz HFBMKKAWRPRSHV-QGZVFWFLSA-N 2 0 348.495 1.122 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1csnn1 ZINC000996678960 702977738 /nfs/dbraw/zinc/97/77/38/702977738.db2.gz OYGQABRJEBFJSU-NHYWBVRUSA-N 2 0 337.493 1.520 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1nncn1C ZINC000996691023 702988215 /nfs/dbraw/zinc/98/82/15/702988215.db2.gz RMWROYTYZUVFBQ-GOEBONIOSA-N 2 0 348.495 1.331 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996691241 702988471 /nfs/dbraw/zinc/98/84/71/702988471.db2.gz UBMCHFUPYSBAGQ-INIZCTEOSA-N 2 0 348.495 1.253 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+][C@H](C)c2csnn2)CC1)[NH+](C)C ZINC000996713382 703008378 /nfs/dbraw/zinc/00/83/78/703008378.db2.gz UNVUTWDATPFOEA-BXUZGUMPSA-N 2 0 325.482 1.520 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000996727665 703022565 /nfs/dbraw/zinc/02/25/65/703022565.db2.gz HZKPCGACSBORQO-MRXNPFEDSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1nc([C@H](C)NC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)no1 ZINC000996768579 703060047 /nfs/dbraw/zinc/06/00/47/703060047.db2.gz CVFMPOOLLNWEMC-ZDUSSCGKSA-N 2 0 347.463 1.648 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996857380 703141708 /nfs/dbraw/zinc/14/17/08/703141708.db2.gz NIWIYOZXWBUOGX-SFHVURJKSA-N 2 0 345.491 1.338 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996859561 703143428 /nfs/dbraw/zinc/14/34/28/703143428.db2.gz UPJOQJLZOFGARX-QGZVFWFLSA-N 2 0 332.448 1.630 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000996901865 703174062 /nfs/dbraw/zinc/17/40/62/703174062.db2.gz BNGSBUQDFCLMFY-QGZVFWFLSA-N 2 0 347.507 1.586 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000996957075 703220371 /nfs/dbraw/zinc/22/03/71/703220371.db2.gz WTDJFLVYOJMBCZ-LJQANCHMSA-N 2 0 345.487 1.642 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)[NH+](C)C ZINC000996966243 703226308 /nfs/dbraw/zinc/22/63/08/703226308.db2.gz RORRXYJXFUAJGK-QGZVFWFLSA-N 2 0 335.496 1.129 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996963628 703232458 /nfs/dbraw/zinc/23/24/58/703232458.db2.gz GEHVDUDLFFDHDI-UKRRQHHQSA-N 2 0 336.484 1.043 20 0 EDADRP CCn1nncc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996981437 703236284 /nfs/dbraw/zinc/23/62/84/703236284.db2.gz VCUSKQHOTPYSTH-RHSMWYFYSA-N 2 0 348.495 1.109 20 0 EDADRP COc1nccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000996995809 703252778 /nfs/dbraw/zinc/25/27/78/703252778.db2.gz RAFPUKUMXDYDDG-CQSZACIVSA-N 2 0 347.463 1.050 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)on1 ZINC000996997666 703254680 /nfs/dbraw/zinc/25/46/80/703254680.db2.gz FHOGLQFMNGRFPA-CYBMUJFWSA-N 2 0 336.436 1.248 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000997005069 703262428 /nfs/dbraw/zinc/26/24/28/703262428.db2.gz CEBGISRBNPWQQD-QAPCUYQASA-N 2 0 347.507 1.224 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000997008494 703266444 /nfs/dbraw/zinc/26/64/44/703266444.db2.gz MUUTXUQHPUFTFN-CRAIPNDOSA-N 2 0 330.476 1.668 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2noc3c2CCCC3)CC1)[NH+](C)C ZINC000997009885 703270736 /nfs/dbraw/zinc/27/07/36/703270736.db2.gz PMGNSVDASPTEET-KRWDZBQOSA-N 2 0 348.491 1.974 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997073944 703314083 /nfs/dbraw/zinc/31/40/83/703314083.db2.gz ZWWFIRQJJARYMY-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997082952 703321627 /nfs/dbraw/zinc/32/16/27/703321627.db2.gz KFJXFQLKVFHXNS-HUUCEWRRSA-N 2 0 349.504 1.636 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)[NH+]1CCCCCC1 ZINC000997074860 703323429 /nfs/dbraw/zinc/32/34/29/703323429.db2.gz WRMMYXGWRSFIMV-MRXNPFEDSA-N 2 0 347.507 1.765 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CCO)CC1 ZINC000997136103 703394392 /nfs/dbraw/zinc/39/43/92/703394392.db2.gz AMPJZIBIEYHDPU-QAPCUYQASA-N 2 0 337.508 1.602 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997183558 703468904 /nfs/dbraw/zinc/46/89/04/703468904.db2.gz KUTSCGWKCYTDHP-HNNXBMFYSA-N 2 0 348.495 1.281 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184038 703469705 /nfs/dbraw/zinc/46/97/05/703469705.db2.gz LQYKGXWBKHVYBV-HNNXBMFYSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)[nH]1 ZINC000997181173 703471146 /nfs/dbraw/zinc/47/11/46/703471146.db2.gz WITMOYWCOKTGEQ-GOEBONIOSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)[nH]1 ZINC000997181176 703471469 /nfs/dbraw/zinc/47/14/69/703471469.db2.gz WITMOYWCOKTGEQ-ZBFHGGJFSA-N 2 0 348.495 1.314 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1)C12CC[NH+](CC1)C2 ZINC000997190581 703479085 /nfs/dbraw/zinc/47/90/85/703479085.db2.gz AKADQSLAPMXJEQ-UHFFFAOYSA-N 2 0 344.459 1.728 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]cnc3C)CC2)o1 ZINC000997220529 703498797 /nfs/dbraw/zinc/49/87/97/703498797.db2.gz CEPYTPUSQCJRAU-ZDUSSCGKSA-N 2 0 331.420 1.899 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997271164 703533751 /nfs/dbraw/zinc/53/37/51/703533751.db2.gz GPHWTSUSKSYXIP-QAPCUYQASA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)Cn1ncnc1C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997307041 703565431 /nfs/dbraw/zinc/56/54/31/703565431.db2.gz MGNVJWPVFVRRHW-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nc1 ZINC000997358555 703589348 /nfs/dbraw/zinc/58/93/48/703589348.db2.gz CPYROBBCJVVGAH-HZPDHXFCSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000997366689 703600546 /nfs/dbraw/zinc/60/05/46/703600546.db2.gz JRRVPZSCHMESTP-DOTOQJQBSA-N 2 0 345.491 1.993 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997366540 703600554 /nfs/dbraw/zinc/60/05/54/703600554.db2.gz GFGRJJCSZGWWIF-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997367572 703601702 /nfs/dbraw/zinc/60/17/02/703601702.db2.gz KOQUGDHIVITMBO-QGZVFWFLSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997396316 703660214 /nfs/dbraw/zinc/66/02/14/703660214.db2.gz REZKGLUMPWEFNH-CQSZACIVSA-N 2 0 346.475 1.796 20 0 EDADRP CCc1nnc(C[NH2+]C2CCN(C(=O)Cn3ccnc3)CC2)s1 ZINC000997412559 703668204 /nfs/dbraw/zinc/66/82/04/703668204.db2.gz FBKQKBPCHXFCKS-UHFFFAOYSA-N 2 0 334.449 1.078 20 0 EDADRP C[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CCO)C2)[NH+]1CCCCCC1 ZINC001040431704 703728358 /nfs/dbraw/zinc/72/83/58/703728358.db2.gz JADCSHHNSILYTH-PKOBYXMFSA-N 2 0 337.508 1.558 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997507696 703756315 /nfs/dbraw/zinc/75/63/15/703756315.db2.gz DTGGTWWWCQMURX-MAUKXSAKSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997515117 703764990 /nfs/dbraw/zinc/76/49/90/703764990.db2.gz IUOUXVQMQDXVHB-KBXCAEBGSA-N 2 0 347.507 1.539 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997588671 703876985 /nfs/dbraw/zinc/87/69/85/703876985.db2.gz ZWWFIRQJJARYMY-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999284340 706777269 /nfs/dbraw/zinc/77/72/69/706777269.db2.gz WIYBRJOXOYTHCY-AOCRQIFASA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001004206484 703964176 /nfs/dbraw/zinc/96/41/76/703964176.db2.gz MFAZIVSWCRYDJL-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553183 703964977 /nfs/dbraw/zinc/96/49/77/703964977.db2.gz SRCGXCPRSBIZPK-UKRRQHHQSA-N 2 0 336.505 1.872 20 0 EDADRP COc1cc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC001033093750 704171451 /nfs/dbraw/zinc/17/14/51/704171451.db2.gz DIIOUIJVFOQLFY-DJIMGWMZSA-N 2 0 346.475 1.463 20 0 EDADRP Cc1cncc(C[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033095248 704181458 /nfs/dbraw/zinc/18/14/58/704181458.db2.gz VBWWGLJRFKMWBR-KBAYOESNSA-N 2 0 330.476 1.763 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309778 706812568 /nfs/dbraw/zinc/81/25/68/706812568.db2.gz VWHIMKRMRKCBSG-WMZOPIPTSA-N 2 0 347.507 1.684 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000922852619 704438977 /nfs/dbraw/zinc/43/89/77/704438977.db2.gz MLUZOBOXIHGFSX-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000997708288 704599616 /nfs/dbraw/zinc/59/96/16/704599616.db2.gz OOZJIBIXDJYXGT-CGTJXYLNSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997773104 704674593 /nfs/dbraw/zinc/67/45/93/704674593.db2.gz SXQBRBYIUNTKRQ-KRWDZBQOSA-N 2 0 334.464 1.876 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000997822972 704742785 /nfs/dbraw/zinc/74/27/85/704742785.db2.gz IHKRNZAERLNKTF-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CCC1 ZINC000997824155 704743369 /nfs/dbraw/zinc/74/33/69/704743369.db2.gz QRIRJYATCXMHNB-HKUYNNGSSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997829857 704748526 /nfs/dbraw/zinc/74/85/26/704748526.db2.gz DKIQEFQXMJSHLY-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000997830238 704748777 /nfs/dbraw/zinc/74/87/77/704748777.db2.gz FUGYHVDBTQMVRA-CZUORRHYSA-N 2 0 348.495 1.045 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1)[NH+](C)C ZINC000997844077 704759524 /nfs/dbraw/zinc/75/95/24/704759524.db2.gz LVJSQNSYTVBZIF-KRWDZBQOSA-N 2 0 335.496 1.335 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nnc(C)s2)CC1)[NH+](C)C ZINC000997855107 704764016 /nfs/dbraw/zinc/76/40/16/704764016.db2.gz LDKXUGDRHIUZEP-CQSZACIVSA-N 2 0 339.509 1.515 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997863694 704770832 /nfs/dbraw/zinc/77/08/32/704770832.db2.gz FEPFRZGCDQKCFF-SFHVURJKSA-N 2 0 330.476 1.894 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997864597 704771388 /nfs/dbraw/zinc/77/13/88/704771388.db2.gz KTOKVUARKGLSJG-QGZVFWFLSA-N 2 0 333.480 1.233 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997866809 704772138 /nfs/dbraw/zinc/77/21/38/704772138.db2.gz UZCNRHRXWFQVOK-HNNXBMFYSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997866334 704772734 /nfs/dbraw/zinc/77/27/34/704772734.db2.gz RZYGLBPVBNVOEQ-SFHVURJKSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997873777 704779432 /nfs/dbraw/zinc/77/94/32/704779432.db2.gz GJYNVCHAQXXYDD-HOTGVXAUSA-N 2 0 347.503 1.959 20 0 EDADRP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943605 704796106 /nfs/dbraw/zinc/79/61/06/704796106.db2.gz IZRBMLTVDBZUQE-IRXDYDNUSA-N 2 0 330.476 1.812 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)CC1 ZINC000998033046 705219067 /nfs/dbraw/zinc/21/90/67/705219067.db2.gz XQIIADSMIBYWSY-UHFFFAOYSA-N 2 0 337.493 1.208 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)CC1 ZINC000998031011 705221205 /nfs/dbraw/zinc/22/12/05/705221205.db2.gz JNHQKBKPHYBLQX-SFHVURJKSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)[NH+](C)C ZINC000998040359 705229060 /nfs/dbraw/zinc/22/90/60/705229060.db2.gz RFQIOVIMWKFVMP-GOSISDBHSA-N 2 0 332.492 1.996 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998102337 705345951 /nfs/dbraw/zinc/34/59/51/705345951.db2.gz MIXYOZPFLMSITM-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cccc(F)c2)CC1 ZINC001032602303 705393126 /nfs/dbraw/zinc/39/31/26/705393126.db2.gz NDSAINAKYFEPQN-ROUUACIJSA-N 2 0 331.435 1.953 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@@H]2CCOC2)CC1 ZINC001032603328 705428555 /nfs/dbraw/zinc/42/85/55/705428555.db2.gz XHEOWOWDUBFSDK-NJAFHUGGSA-N 2 0 335.492 1.430 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@H]2CCOC2)CC1 ZINC001032603329 705428881 /nfs/dbraw/zinc/42/88/81/705428881.db2.gz XHEOWOWDUBFSDK-SZMVWBNQSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000998224395 705553037 /nfs/dbraw/zinc/55/30/37/705553037.db2.gz BTJIHPZHBYJFBR-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998548357 705984062 /nfs/dbraw/zinc/98/40/62/705984062.db2.gz GZXKFGDPOCTUNY-DAWZGUTISA-N 2 0 331.460 1.352 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998554517 705989470 /nfs/dbraw/zinc/98/94/70/705989470.db2.gz YKEUWNITHNKDRH-HTWSVDAQSA-N 2 0 331.460 1.868 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000998901597 706338480 /nfs/dbraw/zinc/33/84/80/706338480.db2.gz OSEWINBDRAXIOT-HWOWSKLDSA-N 2 0 348.495 1.157 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999051795 706472848 /nfs/dbraw/zinc/47/28/48/706472848.db2.gz SEHUUDOBHBRUCO-UHFFFAOYSA-N 2 0 346.475 1.944 20 0 EDADRP Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999151739 706580455 /nfs/dbraw/zinc/58/04/55/706580455.db2.gz HJDBLCKRMWBYHZ-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999362319 706875780 /nfs/dbraw/zinc/87/57/80/706875780.db2.gz AKJUVMAXAUJBIH-QAPCUYQASA-N 2 0 348.491 1.966 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)on1 ZINC000999362664 706876569 /nfs/dbraw/zinc/87/65/69/706876569.db2.gz BJFRUEQYXZXVQI-BBRMVZONSA-N 2 0 336.436 1.104 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)sn1 ZINC000999370914 706885229 /nfs/dbraw/zinc/88/52/29/706885229.db2.gz LWCVTMPANOZCSG-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999404792 706913786 /nfs/dbraw/zinc/91/37/86/706913786.db2.gz CKTAPJNLVIYQJG-IUDNXUCKSA-N 2 0 334.464 1.800 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1)[NH+]1CCCCCC1 ZINC000999504562 707001766 /nfs/dbraw/zinc/00/17/66/707001766.db2.gz DQQNLLLHZWULGK-QQFBHYJXSA-N 2 0 348.495 1.159 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999510196 707008203 /nfs/dbraw/zinc/00/82/03/707008203.db2.gz WMRPEUXETDZBER-AOCRQIFASA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000999510758 707009158 /nfs/dbraw/zinc/00/91/58/707009158.db2.gz LYIRYMMUPCLFSJ-NVXWUHKLSA-N 2 0 331.464 1.350 20 0 EDADRP COc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999514322 707013267 /nfs/dbraw/zinc/01/32/67/707013267.db2.gz WAGXQMYZHYSKNG-GOEBONIOSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCc3cncn3C2)C1 ZINC000999533915 707034681 /nfs/dbraw/zinc/03/46/81/707034681.db2.gz BCNMIAWSPIAENC-LSDHHAIUSA-N 2 0 343.431 1.523 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999573384 707079372 /nfs/dbraw/zinc/07/93/72/707079372.db2.gz IOBFPVVHALHUIR-FUHWJXTLSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]C[C@@H]3CCOC3)C2)CC1 ZINC000999632160 707158376 /nfs/dbraw/zinc/15/83/76/707158376.db2.gz TVQGRPMRGPNRDL-ZLPCBKJTSA-N 2 0 337.508 1.722 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999706445 707297008 /nfs/dbraw/zinc/29/70/08/707297008.db2.gz KEHHRGLJZBZTSL-ZBFHGGJFSA-N 2 0 328.416 1.565 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000999709973 707303262 /nfs/dbraw/zinc/30/32/62/707303262.db2.gz RATRTLNYMXUISN-UHFFFAOYSA-N 2 0 334.489 1.626 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1)OC ZINC001033179831 707334859 /nfs/dbraw/zinc/33/48/59/707334859.db2.gz ANNRULFNTFBRPA-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1csc(C[NH2+]C2CC(N(C)C(=O)Cc3[nH]cnc3C)C2)n1 ZINC000999747050 707346756 /nfs/dbraw/zinc/34/67/56/707346756.db2.gz KBECFNSZVZJVBR-UHFFFAOYSA-N 2 0 333.461 1.805 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999792774 707363389 /nfs/dbraw/zinc/36/33/89/707363389.db2.gz OSUJUQLEUQETMV-MSOLQXFVSA-N 2 0 346.475 1.938 20 0 EDADRP COCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000999838881 707411345 /nfs/dbraw/zinc/41/13/45/707411345.db2.gz YFPROMMZPXOKBY-VIQWUECVSA-N 2 0 345.487 1.864 20 0 EDADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033196664 707411502 /nfs/dbraw/zinc/41/15/02/707411502.db2.gz DNTBFNGBSQAOAO-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033198114 707459792 /nfs/dbraw/zinc/45/97/92/707459792.db2.gz KSBKZOFXCWFJPV-MOPGFXCFSA-N 2 0 345.487 1.696 20 0 EDADRP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cs1 ZINC000999832933 707463638 /nfs/dbraw/zinc/46/36/38/707463638.db2.gz JUWXNQLRKRGBCB-UHFFFAOYSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1nc([C@@H](C)NC2CC(N(C)C(=O)Cn3ccnc3C)C2)no1 ZINC000999835860 707470376 /nfs/dbraw/zinc/47/03/76/707470376.db2.gz HFOCQFNQQIEESM-GWMXKSKGSA-N 2 0 332.408 1.223 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946751969 707502942 /nfs/dbraw/zinc/50/29/42/707502942.db2.gz MSMCBXKFAHVRDB-RYQLBKOJSA-N 2 0 337.508 1.534 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033318053 707507057 /nfs/dbraw/zinc/50/70/57/707507057.db2.gz GAPVKVLRXHSDEG-KRWDZBQOSA-N 2 0 347.507 1.370 20 0 EDADRP CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992794 707669702 /nfs/dbraw/zinc/66/97/02/707669702.db2.gz QJCVVXLAMIQIOQ-RDJZCZTQSA-N 2 0 348.495 1.139 20 0 EDADRP Cc1ccncc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415578 707791459 /nfs/dbraw/zinc/79/14/59/707791459.db2.gz JLZAIXZCAYOVAA-SJLPKXTDSA-N 2 0 330.476 1.907 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001000193661 707830374 /nfs/dbraw/zinc/83/03/74/707830374.db2.gz QRBKMQPWOBDFIO-GOEBONIOSA-N 2 0 331.464 1.350 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508408 707979629 /nfs/dbraw/zinc/97/96/29/707979629.db2.gz MKYPSFZUAQMVPV-CRAIPNDOSA-N 2 0 333.476 1.929 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC001001005546 708081927 /nfs/dbraw/zinc/08/19/27/708081927.db2.gz CRLIADYGBOTUDE-NVXWUHKLSA-N 2 0 333.480 1.375 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001033530509 708150862 /nfs/dbraw/zinc/15/08/62/708150862.db2.gz CNYPFEPBRLRZCN-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCO)C[C@@H]2C)o1 ZINC001044879206 708240416 /nfs/dbraw/zinc/24/04/16/708240416.db2.gz OLWIIJDLHJFOOJ-GJZGRUSLSA-N 2 0 337.464 1.696 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC001033591950 708290285 /nfs/dbraw/zinc/29/02/85/708290285.db2.gz DGMTVYZQPQLITP-SFHVURJKSA-N 2 0 342.487 1.827 20 0 EDADRP Cc1ncc(CN2CC[C@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033583602 708307288 /nfs/dbraw/zinc/30/72/88/708307288.db2.gz WEDHLGSVDAZZPP-RDJZCZTQSA-N 2 0 331.464 1.160 20 0 EDADRP Cc1cccc(OCC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033663470 708443736 /nfs/dbraw/zinc/44/37/36/708443736.db2.gz VXFVRCYVIYRYQJ-ZWKOTPCHSA-N 2 0 345.487 1.858 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665943 708449610 /nfs/dbraw/zinc/44/96/10/708449610.db2.gz SKDCURPYSQMLKU-ROUUACIJSA-N 2 0 344.503 1.737 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033666808 708453217 /nfs/dbraw/zinc/45/32/17/708453217.db2.gz ZSBYGOZSJFWAAY-QGZVFWFLSA-N 2 0 331.460 1.694 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005384649 708822392 /nfs/dbraw/zinc/82/23/92/708822392.db2.gz NGLXJTFODSGTRI-FUHWJXTLSA-N 2 0 337.508 1.819 20 0 EDADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033990394 709197523 /nfs/dbraw/zinc/19/75/23/709197523.db2.gz UEDBIVXNSJDIFO-SFHVURJKSA-N 2 0 333.476 1.931 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001034013627 709227369 /nfs/dbraw/zinc/22/73/69/709227369.db2.gz PMWOBDAYVVWGLA-KRWDZBQOSA-N 2 0 328.460 1.600 20 0 EDADRP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034037627 709269521 /nfs/dbraw/zinc/26/95/21/709269521.db2.gz CUQFRXGSOKBEFP-HZPDHXFCSA-N 2 0 348.491 1.920 20 0 EDADRP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034043428 709294311 /nfs/dbraw/zinc/29/43/11/709294311.db2.gz USUDGVFGFWSCCH-JKSUJKDBSA-N 2 0 348.491 1.920 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034044437 709296209 /nfs/dbraw/zinc/29/62/09/709296209.db2.gz BABVXDGDAPLWJQ-YJBOKZPZSA-N 2 0 333.476 1.665 20 0 EDADRP Cc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001034138252 709388397 /nfs/dbraw/zinc/38/83/97/709388397.db2.gz OOXFIWLSUKZUCM-ZWKOTPCHSA-N 2 0 330.476 1.955 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCC2CCOCC2)C1 ZINC001034130557 709399697 /nfs/dbraw/zinc/39/96/97/709399697.db2.gz IOYPKACSALIMJE-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP CN1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034148199 709418914 /nfs/dbraw/zinc/41/89/14/709418914.db2.gz GKQMOBGQMUFBQQ-ZWKOTPCHSA-N 2 0 337.508 1.868 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c(F)c1 ZINC000922011972 709431681 /nfs/dbraw/zinc/43/16/81/709431681.db2.gz NBGCFMQDFCUJDK-CQSZACIVSA-N 2 0 337.439 1.728 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002822980 709432811 /nfs/dbraw/zinc/43/28/11/709432811.db2.gz JOCRFCFUFUBZQV-JKSUJKDBSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CCN(Cc3ccc(F)cn3)CC2)CC[N@@H+]1C ZINC001002852372 709462126 /nfs/dbraw/zinc/46/21/26/709462126.db2.gz OMHBWGVFGITBQP-CXAGYDPISA-N 2 0 334.439 1.642 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnoc2C)CC1 ZINC001002955411 709657077 /nfs/dbraw/zinc/65/70/77/709657077.db2.gz NJPDJNBQMJUXMP-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289565 709713495 /nfs/dbraw/zinc/71/34/95/709713495.db2.gz VFZKGYCFXAVNGB-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(N[C@@H]1CCCC[N@@H+](CCCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034319522 709768841 /nfs/dbraw/zinc/76/88/41/709768841.db2.gz IKENGXJOAAHGBL-GARNVTTQSA-N 2 0 339.455 1.180 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CC2CCOCC2)C1 ZINC001034398156 709939381 /nfs/dbraw/zinc/93/93/81/709939381.db2.gz MXZRLISTEHZJHV-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463752 710033554 /nfs/dbraw/zinc/03/35/54/710033554.db2.gz VNGBQNSMYVOKQT-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1nocc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490042 710107911 /nfs/dbraw/zinc/10/79/11/710107911.db2.gz IHRCXMNYXLGKPR-DOTOQJQBSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034490460 710108975 /nfs/dbraw/zinc/10/89/75/710108975.db2.gz LMYHIGDEKFWFKJ-WBVHZDCISA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nocc1CN1CCC(NC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001003194520 710129402 /nfs/dbraw/zinc/12/94/02/710129402.db2.gz ULRFQLXMGIUAST-AWEZNQCLSA-N 2 0 343.431 1.523 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525647 710176323 /nfs/dbraw/zinc/17/63/23/710176323.db2.gz NRZLHAAPBMJGEO-CABCVRRESA-N 2 0 329.435 1.954 20 0 EDADRP CC[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003333240 710257422 /nfs/dbraw/zinc/25/74/22/710257422.db2.gz QIUBSIBQXFKQPI-CKXIEVRYSA-N 2 0 335.492 1.476 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005568839 710317380 /nfs/dbraw/zinc/31/73/80/710317380.db2.gz ICEITRDPZLSPBH-QGZVFWFLSA-N 2 0 349.519 1.822 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647268 710323843 /nfs/dbraw/zinc/32/38/43/710323843.db2.gz BXNXYTBDFNXBST-KBUPBQIOSA-N 2 0 335.452 1.235 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001003509221 710390253 /nfs/dbraw/zinc/39/02/53/710390253.db2.gz ZIFQMCDTVSQSMR-XYJFISCASA-N 2 0 337.508 1.866 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001003626105 710455251 /nfs/dbraw/zinc/45/52/51/710455251.db2.gz MFMVNQQLHLWLHS-INIZCTEOSA-N 2 0 347.507 1.368 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003636618 710456862 /nfs/dbraw/zinc/45/68/62/710456862.db2.gz WXVCTTXFFKOKRP-BBRMVZONSA-N 2 0 336.505 1.464 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001003739440 710520136 /nfs/dbraw/zinc/52/01/36/710520136.db2.gz FEXABKQOIUGKCQ-QAPCUYQASA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001034659664 710589101 /nfs/dbraw/zinc/58/91/01/710589101.db2.gz WWBDWUHAWGRBCP-YHUYYLMFSA-N 2 0 338.496 1.142 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1nncn1C ZINC001034673926 710613449 /nfs/dbraw/zinc/61/34/49/710613449.db2.gz HDZVNOKQRBWGRN-KLHDSHLOSA-N 2 0 348.495 1.377 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005592442 710639460 /nfs/dbraw/zinc/63/94/60/710639460.db2.gz MNFQXXXZJAAWCQ-AEFFLSMTSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@H](C[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1)OC ZINC001005661318 710872168 /nfs/dbraw/zinc/87/21/68/710872168.db2.gz QQQRNSXHQNZLGD-QGZVFWFLSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC001034722004 710888786 /nfs/dbraw/zinc/88/87/86/710888786.db2.gz UPIRWOZRYFDSOW-DAXOMENPSA-N 2 0 348.495 1.533 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncs3)CC2)C1 ZINC001034734012 710914565 /nfs/dbraw/zinc/91/45/65/710914565.db2.gz GWIPBASUESVXJH-MGPQQGTHSA-N 2 0 337.493 1.397 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)CC1 ZINC001034747526 710973570 /nfs/dbraw/zinc/97/35/70/710973570.db2.gz FXXIUQNMZBBMTR-SHTZXODSSA-N 2 0 335.452 1.319 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775678 711049491 /nfs/dbraw/zinc/04/94/91/711049491.db2.gz FXUAEMCOYPMGLS-SLBVQIDZSA-N 2 0 349.479 1.798 20 0 EDADRP Cc1cncn1CC(=O)N(C)C1CCN(Cc2cc(C)n(C)n2)CC1 ZINC001005712451 711099075 /nfs/dbraw/zinc/09/90/75/711099075.db2.gz FBXFOYOAHJEDJR-UHFFFAOYSA-N 2 0 344.463 1.356 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034796655 711128696 /nfs/dbraw/zinc/12/86/96/711128696.db2.gz LSYZYUFJXAHAJX-QBPKDAKJSA-N 2 0 347.507 1.810 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003968103 711139200 /nfs/dbraw/zinc/13/92/00/711139200.db2.gz QRKAUMQRCHXNCH-OAHLLOKOSA-N 2 0 334.464 1.714 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003976801 711179138 /nfs/dbraw/zinc/17/91/38/711179138.db2.gz RVIRGIGJTBINSX-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001034818181 711204085 /nfs/dbraw/zinc/20/40/85/711204085.db2.gz CWDJKGWDUVCHDO-MOPGFXCFSA-N 2 0 343.471 1.666 20 0 EDADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cc1 ZINC001034821600 711222671 /nfs/dbraw/zinc/22/26/71/711222671.db2.gz DHSCJNIKNKXLRC-QPIRBTGLSA-N 2 0 343.471 1.664 20 0 EDADRP CC[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)cc1 ZINC001034823091 711224584 /nfs/dbraw/zinc/22/45/84/711224584.db2.gz RDZMETWYXAVHPT-TVRKMHQQSA-N 2 0 329.444 1.276 20 0 EDADRP CCc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cs1 ZINC001034885562 711290115 /nfs/dbraw/zinc/29/01/15/711290115.db2.gz WHESJLAUIJWELK-HUUCEWRRSA-N 2 0 336.505 1.880 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)cn1 ZINC001034957683 711429796 /nfs/dbraw/zinc/42/97/96/711429796.db2.gz FAYZHUGKNHSFFP-QGZVFWFLSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034958861 711432613 /nfs/dbraw/zinc/43/26/13/711432613.db2.gz MRFUAPGAXSQTDE-IAGOWNOFSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034959128 711433255 /nfs/dbraw/zinc/43/32/55/711433255.db2.gz SJTTXWLGDDNLNQ-QZTJIDSGSA-N 2 0 330.476 1.811 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@H]1C(C)C ZINC000922395581 711469143 /nfs/dbraw/zinc/46/91/43/711469143.db2.gz UAQIZZKNJMXOLM-YFHUEUNASA-N 2 0 334.464 1.445 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000922411447 711486557 /nfs/dbraw/zinc/48/65/57/711486557.db2.gz AGLVYFNSMKHAMT-QBYUYEEZSA-N 2 0 348.495 1.195 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC001004149113 711563156 /nfs/dbraw/zinc/56/31/56/711563156.db2.gz FNHITHUMHKLNTP-KBPBESRZSA-N 2 0 329.435 1.954 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000129450013 529771631 /nfs/dbraw/zinc/77/16/31/529771631.db2.gz LPELHMXZVCJNLL-HXUWFJFHSA-N 2 0 330.520 1.531 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CCC4(CC3)OCCO4)cn2)CC1 ZINC000155052594 529777108 /nfs/dbraw/zinc/77/71/08/529777108.db2.gz PFBMWBLSSIGHHT-UHFFFAOYSA-N 2 0 346.475 1.609 20 0 EDADRP C[NH+]1CCC(NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000181656324 530050104 /nfs/dbraw/zinc/05/01/04/530050104.db2.gz ZYEOWNQEMQYTHD-GOSISDBHSA-N 2 0 346.475 1.147 20 0 EDADRP COC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000178731923 232421498 /nfs/dbraw/zinc/42/14/98/232421498.db2.gz ZDSQGEODQAZDDE-UHFFFAOYSA-N 2 0 345.487 1.783 20 0 EDADRP COc1cccc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1F ZINC000560485332 306271207 /nfs/dbraw/zinc/27/12/07/306271207.db2.gz PDUAJSJGXGVYEE-UHFFFAOYSA-N 2 0 339.455 1.719 20 0 EDADRP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959402 535061382 /nfs/dbraw/zinc/06/13/82/535061382.db2.gz KKARAOFQMUQPAP-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP COC[C@H]1C[N@H+]([C@@H](C)CCN2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298228 539589403 /nfs/dbraw/zinc/58/94/03/539589403.db2.gz VEUTZTJYOBBWTI-KFGODFMUSA-N 2 0 344.496 1.236 20 0 EDADRP c1cnc(N2CCN(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)nc1 ZINC000339066706 539700391 /nfs/dbraw/zinc/70/03/91/539700391.db2.gz DMAYSUGEVZDANV-ROUUACIJSA-N 2 0 344.507 1.205 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000561645193 306289850 /nfs/dbraw/zinc/28/98/50/306289850.db2.gz WZELPKRTHHFVAZ-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000562707366 306306535 /nfs/dbraw/zinc/30/65/35/306306535.db2.gz LQRQAQAVFVODCG-JQHSSLGASA-N 2 0 337.508 1.769 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000562749526 306307770 /nfs/dbraw/zinc/30/77/70/306307770.db2.gz FRGSTKWSKJJSGY-CYBMUJFWSA-N 2 0 332.448 1.117 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])CC1 ZINC000562809397 306310019 /nfs/dbraw/zinc/31/00/19/306310019.db2.gz SPBDXEBVSJHCHU-QGZVFWFLSA-N 2 0 339.528 1.029 20 0 EDADRP Cc1[nH]nc2ncc(C[NH+]3CCC(n4ncc5c4C[NH2+]C5)CC3)cc12 ZINC000562969217 306314049 /nfs/dbraw/zinc/31/40/49/306314049.db2.gz SFILNVJXTBUMCQ-UHFFFAOYSA-N 2 0 337.431 1.903 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H](C)[NH2+]C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157632 306320760 /nfs/dbraw/zinc/32/07/60/306320760.db2.gz KRPWLWQMYJLULY-GDBMZVCRSA-N 2 0 345.491 1.514 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000183364384 235029433 /nfs/dbraw/zinc/02/94/33/235029433.db2.gz NFJGCMYCBRJWOD-HNNXBMFYSA-N 2 0 335.448 1.136 20 0 EDADRP O=C(CCc1c[nH]cn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279871591 540069851 /nfs/dbraw/zinc/06/98/51/540069851.db2.gz TZTMHKJINVWJNS-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000563559517 306338772 /nfs/dbraw/zinc/33/87/72/306338772.db2.gz ROJKEPPMSRIIIZ-RCCFBDPRSA-N 2 0 330.476 1.936 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000107844948 138304678 /nfs/dbraw/zinc/30/46/78/138304678.db2.gz YSNAXFWSYYDLNT-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124133681 138324011 /nfs/dbraw/zinc/32/40/11/138324011.db2.gz FXMQWUGDFXNZGF-WMZOPIPTSA-N 2 0 335.492 1.432 20 0 EDADRP CC[NH+]1CCN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000125750866 138336099 /nfs/dbraw/zinc/33/60/99/138336099.db2.gz IYJFQEIRQZFASF-MJGOQNOKSA-N 2 0 344.503 1.403 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000563597699 306341014 /nfs/dbraw/zinc/34/10/14/306341014.db2.gz LCJUDZGSMYQXIJ-KURKYZTESA-N 2 0 346.475 1.614 20 0 EDADRP CC[N@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C1CC1 ZINC000131944482 138368339 /nfs/dbraw/zinc/36/83/39/138368339.db2.gz XSQZYFHVNFIKGP-HZPDHXFCSA-N 2 0 337.508 1.819 20 0 EDADRP COC1CCC(CC[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564321743 306358333 /nfs/dbraw/zinc/35/83/33/306358333.db2.gz KVCKMVNEOXTKSW-IKKRTKPYSA-N 2 0 328.497 1.641 20 0 EDADRP [NH3+]C1(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000373039690 283398044 /nfs/dbraw/zinc/39/80/44/283398044.db2.gz KZTJNMXAYOAINK-GOSISDBHSA-N 2 0 327.472 1.960 20 0 EDADRP CC(C)CC[C@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000564848593 306367404 /nfs/dbraw/zinc/36/74/04/306367404.db2.gz MZDDFIXYBWYUPA-KRWDZBQOSA-N 2 0 341.540 2.000 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000565354565 306382221 /nfs/dbraw/zinc/38/22/21/306382221.db2.gz OIAIOAGQRKBOHP-YZGWKJHDSA-N 3 0 347.503 1.956 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565468523 306384630 /nfs/dbraw/zinc/38/46/30/306384630.db2.gz SKBCXWJLJPQGPT-UHFFFAOYSA-N 2 0 344.459 1.215 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)C1CCCC1 ZINC000565645297 306388568 /nfs/dbraw/zinc/38/85/68/306388568.db2.gz YGYFHHUBRGXBBG-UHFFFAOYSA-N 2 0 344.459 1.261 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000565775609 306391279 /nfs/dbraw/zinc/39/12/79/306391279.db2.gz FPDHRAFQDJALKE-FQEVSTJZSA-N 2 0 330.520 1.961 20 0 EDADRP CN(C)c1ncc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000414370479 304112548 /nfs/dbraw/zinc/11/25/48/304112548.db2.gz WHIOEBJSPPQTBC-UHFFFAOYSA-N 2 0 328.464 1.887 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000364799184 291333731 /nfs/dbraw/zinc/33/37/31/291333731.db2.gz SMWZGAPHMZGLRR-KVSKMBFKSA-N 2 0 331.460 1.478 20 0 EDADRP C[C@@H](NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[C@H](C)[NH3+] ZINC000417580804 296077689 /nfs/dbraw/zinc/07/76/89/296077689.db2.gz GDLXJJGBYVILHN-LSDHHAIUSA-N 2 0 340.512 1.835 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414696637 304129040 /nfs/dbraw/zinc/12/90/40/304129040.db2.gz GSORGXLIPYFITA-OAHLLOKOSA-N 2 0 333.432 1.102 20 0 EDADRP Cc1ccccc1OCCC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414699504 304129146 /nfs/dbraw/zinc/12/91/46/304129146.db2.gz ILFYUNYQYVRVNO-KRWDZBQOSA-N 2 0 333.476 1.893 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000414700988 304129758 /nfs/dbraw/zinc/12/97/58/304129758.db2.gz JVSGPQMFLVKRLH-UONOGXRCSA-N 2 0 332.448 1.635 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000414726917 304133247 /nfs/dbraw/zinc/13/32/47/304133247.db2.gz MDVIXGOVZXEOCD-MRXNPFEDSA-N 2 0 333.480 1.852 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000414728748 304133794 /nfs/dbraw/zinc/13/37/94/304133794.db2.gz OXJGOJHQHYLADW-HOTGVXAUSA-N 2 0 345.491 1.996 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000414741420 304135727 /nfs/dbraw/zinc/13/57/27/304135727.db2.gz KXJSAUIQACIJGI-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414755646 304137156 /nfs/dbraw/zinc/13/71/56/304137156.db2.gz IBGRXBPDIKQPCG-CHWSQXEVSA-N 2 0 335.452 1.549 20 0 EDADRP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414774788 304139328 /nfs/dbraw/zinc/13/93/28/304139328.db2.gz BQCSMEHXXFWMPZ-UHFFFAOYSA-N 2 0 349.401 1.055 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414793135 304141339 /nfs/dbraw/zinc/14/13/39/304141339.db2.gz DFJCSESKHQGTER-UHFFFAOYSA-N 2 0 330.432 1.171 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415022455 304151621 /nfs/dbraw/zinc/15/16/21/304151621.db2.gz ZMVKLZHAJSCRDW-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567048774 306436177 /nfs/dbraw/zinc/43/61/77/306436177.db2.gz QCGQVDMYLBFDJT-KRWDZBQOSA-N 2 0 337.489 1.512 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CCOc2ccc(F)cc2F)C1 ZINC000415089721 304158857 /nfs/dbraw/zinc/15/88/57/304158857.db2.gz WOSLHNVWHFOKCM-LBPRGKRZSA-N 2 0 327.375 1.131 20 0 EDADRP CCCNC(=O)C1([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000415116603 304161203 /nfs/dbraw/zinc/16/12/03/304161203.db2.gz UXNRSIRUVUPMNT-OAHLLOKOSA-N 2 0 338.496 1.002 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2csc(CC[NH3+])n2)C[C@H](C)O1 ZINC000194829858 139000972 /nfs/dbraw/zinc/00/09/72/139000972.db2.gz GTGRLLIOPMFVOX-STQMWFEESA-N 2 0 340.493 1.264 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000195271943 139012021 /nfs/dbraw/zinc/01/20/21/139012021.db2.gz JCFAEYFGLVZGNI-CALCHBBNSA-N 2 0 328.460 1.120 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236607026 139026885 /nfs/dbraw/zinc/02/68/85/139026885.db2.gz XOUKFWJDAKPFGX-GOSISDBHSA-N 2 0 332.492 1.537 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000236868651 139033712 /nfs/dbraw/zinc/03/37/12/139033712.db2.gz HUSKZQVBAIQXFI-LJQANCHMSA-N 2 0 346.475 1.696 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@H]3C)cc2)CC1 ZINC000236994709 139037557 /nfs/dbraw/zinc/03/75/57/139037557.db2.gz MFMSFRCZIPJNMS-HZPDHXFCSA-N 2 0 330.476 1.651 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237065325 139039724 /nfs/dbraw/zinc/03/97/24/139039724.db2.gz QJYBMXILFNMBNK-PKOBYXMFSA-N 2 0 346.519 1.997 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414911844 284349703 /nfs/dbraw/zinc/34/97/03/284349703.db2.gz TYDFJOCVBSZADA-OAHLLOKOSA-N 2 0 332.448 1.145 20 0 EDADRP Cn1ncc(N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)c1=O ZINC000081010209 217348928 /nfs/dbraw/zinc/34/89/28/217348928.db2.gz DAUIOHZOVJJZHT-UHFFFAOYSA-N 2 0 329.876 1.144 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000415227440 304176274 /nfs/dbraw/zinc/17/62/74/304176274.db2.gz KAZOADSAURUNEF-RHSMWYFYSA-N 2 0 344.459 1.430 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000245392453 139071526 /nfs/dbraw/zinc/07/15/26/139071526.db2.gz AXOFLUZAQVIKLR-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000415246698 304178278 /nfs/dbraw/zinc/17/82/78/304178278.db2.gz XQJKISCFVOMGSK-JJRVBVJISA-N 2 0 344.459 1.273 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000245417065 139073490 /nfs/dbraw/zinc/07/34/90/139073490.db2.gz FRZKJZASWULDFR-IRXDYDNUSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000415281672 304184451 /nfs/dbraw/zinc/18/44/51/304184451.db2.gz LDPYLFPVPJPFPS-HNNXBMFYSA-N 2 0 346.475 1.187 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)COc3ccc(C)cc3)C2)CC1 ZINC000245933997 139090429 /nfs/dbraw/zinc/09/04/29/139090429.db2.gz RPLAOGDFIFXIPU-RBUKOAKNSA-N 2 0 347.503 1.447 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000417842952 296233211 /nfs/dbraw/zinc/23/32/11/296233211.db2.gz VEQJATBRKAPFDK-MOPGFXCFSA-N 2 0 327.472 1.979 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccccc1Cl ZINC000568078153 306471660 /nfs/dbraw/zinc/47/16/60/306471660.db2.gz HTNVVDBXAKOWBZ-LSDHHAIUSA-N 2 0 341.883 1.305 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000415373827 304207393 /nfs/dbraw/zinc/20/73/93/304207393.db2.gz CNYUHOWCFLFOAW-CQSZACIVSA-N 2 0 346.475 1.315 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CCN3C(=O)c4ccccc4C3=O)CC[C@H]21 ZINC000248202177 139159504 /nfs/dbraw/zinc/15/95/04/139159504.db2.gz ZAWURFRUAWIHJV-RHSMWYFYSA-N 2 0 327.428 1.699 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH2+]C)C2)c1 ZINC000415401787 304214248 /nfs/dbraw/zinc/21/42/48/304214248.db2.gz XWMMPOBJLCLILE-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000249073326 139184549 /nfs/dbraw/zinc/18/45/49/139184549.db2.gz MDXAETDLYGOOCG-RKVPGOIHSA-N 2 0 325.497 1.756 20 0 EDADRP CC(C)C[C@H](CO)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249458088 139193569 /nfs/dbraw/zinc/19/35/69/139193569.db2.gz PZGSAYLEDYQPOS-QZTJIDSGSA-N 2 0 335.492 1.744 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000261643937 139213851 /nfs/dbraw/zinc/21/38/51/139213851.db2.gz GQGBTTAMSZULJV-KRWDZBQOSA-N 2 0 335.423 1.537 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261710175 139219531 /nfs/dbraw/zinc/21/95/31/139219531.db2.gz GEQDFNINJFJFRV-UHFFFAOYSA-N 2 0 331.460 1.843 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)ccc1OCC[NH+]1CCCC1 ZINC000261730934 139221403 /nfs/dbraw/zinc/22/14/03/139221403.db2.gz JVUVDQKDQXULDD-AEFFLSMTSA-N 2 0 347.459 1.914 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000261758773 139223615 /nfs/dbraw/zinc/22/36/15/139223615.db2.gz VPMGVOSQWSFSJP-LXZKKBNFSA-N 2 0 326.444 1.733 20 0 EDADRP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000261745302 139222585 /nfs/dbraw/zinc/22/25/85/139222585.db2.gz PRJXDFWCVVMDAP-IBGZPJMESA-N 2 0 331.460 1.762 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)c2)CCO1 ZINC000261793517 139226594 /nfs/dbraw/zinc/22/65/94/139226594.db2.gz KMPSDRKBECSRAI-DLBZAZTESA-N 2 0 345.487 1.913 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(F)F ZINC000261793190 139226597 /nfs/dbraw/zinc/22/65/97/139226597.db2.gz ZDNSYDRCQGCAIM-CQSZACIVSA-N 2 0 341.402 1.776 20 0 EDADRP CN1CCC(CNC(=O)CC[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000261836880 139230176 /nfs/dbraw/zinc/23/01/76/139230176.db2.gz NMYMQQNDBFFJCE-KRWDZBQOSA-N 2 0 336.524 1.443 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]([NH3+])C3CCOCC3)cc21 ZINC000261840108 139230540 /nfs/dbraw/zinc/23/05/40/139230540.db2.gz QNPZJSOKUZCIAZ-SFHVURJKSA-N 2 0 344.459 1.895 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261851479 139231368 /nfs/dbraw/zinc/23/13/68/139231368.db2.gz QLRRXVKYXUJTKG-IINYFYTJSA-N 2 0 326.238 1.349 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261892423 139234501 /nfs/dbraw/zinc/23/45/01/139234501.db2.gz QRUFIYJKLZFCMK-AEFFLSMTSA-N 2 0 344.503 1.833 20 0 EDADRP C(N[C@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875887 139233267 /nfs/dbraw/zinc/23/32/67/139233267.db2.gz DRLNEBSAPFEUED-SQNIBIBYSA-N 3 0 337.508 1.378 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccsc1 ZINC000261925016 139237649 /nfs/dbraw/zinc/23/76/49/139237649.db2.gz ZDOOUUFRXTULRT-ILXRZTDVSA-N 2 0 325.478 1.754 20 0 EDADRP C[C@@H]([NH3+])CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000261937659 139238500 /nfs/dbraw/zinc/23/85/00/139238500.db2.gz ZTDLGUGPYXKJRH-OAHLLOKOSA-N 2 0 334.464 1.013 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261941127 139238817 /nfs/dbraw/zinc/23/88/17/139238817.db2.gz MXIZMADAMMPCDB-KSZLIROESA-N 2 0 331.460 1.335 20 0 EDADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261965787 139240557 /nfs/dbraw/zinc/24/05/57/139240557.db2.gz YILNQKRRCDACQB-LSDHHAIUSA-N 2 0 336.505 1.574 20 0 EDADRP CN(C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC([NH3+])C1 ZINC000569213627 306499820 /nfs/dbraw/zinc/49/98/20/306499820.db2.gz OTOAQIZPDRKCDV-UHFFFAOYSA-N 2 0 326.510 1.479 20 0 EDADRP COc1ccc(CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000262004937 139243192 /nfs/dbraw/zinc/24/31/92/139243192.db2.gz DWBIAAIWXZAYBG-UHFFFAOYSA-N 2 0 345.487 1.772 20 0 EDADRP O=C(CC[N@@H+](Cc1cccc(F)c1)C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000262009794 139243598 /nfs/dbraw/zinc/24/35/98/139243598.db2.gz FJDZZFHWTVBZEY-SFHVURJKSA-N 2 0 349.450 1.629 20 0 EDADRP C[C@@H](CCNC(=O)[C@H]([NH3+])C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000262017118 139244082 /nfs/dbraw/zinc/24/40/82/139244082.db2.gz ONKQQBUGEQFMMZ-MAUKXSAKSA-N 2 0 333.476 1.767 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000262070103 139248329 /nfs/dbraw/zinc/24/83/29/139248329.db2.gz SACIQKAQZFRGSR-CQSZACIVSA-N 2 0 347.488 1.753 20 0 EDADRP Cc1ccc(C)c([C@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000262056263 139247123 /nfs/dbraw/zinc/24/71/23/139247123.db2.gz ITHBLZSUQINWTN-IEBWSBKVSA-N 2 0 345.487 1.887 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262075159 139248839 /nfs/dbraw/zinc/24/88/39/139248839.db2.gz SKVMXBRSYTUOBK-MRXNPFEDSA-N 2 0 333.432 1.293 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262152233 139255592 /nfs/dbraw/zinc/25/55/92/139255592.db2.gz HUWHEFRATKHCJG-MRXNPFEDSA-N 2 0 333.480 1.343 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415765115 251023257 /nfs/dbraw/zinc/02/32/57/251023257.db2.gz USFVUBVPNFZYAK-OAHLLOKOSA-N 2 0 346.475 1.507 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262230713 139261931 /nfs/dbraw/zinc/26/19/31/139261931.db2.gz VJLQYRDAWOOGGO-INIZCTEOSA-N 2 0 344.459 1.159 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416831971 251111630 /nfs/dbraw/zinc/11/16/30/251111630.db2.gz UAZCXURFCHBFEV-CQSZACIVSA-N 2 0 338.452 1.215 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416873024 251113711 /nfs/dbraw/zinc/11/37/11/251113711.db2.gz MXSBDUDPFGDVAM-IBGZPJMESA-N 2 0 330.476 1.904 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N(CC[NH3+])CCO)c1ccsc1 ZINC000417011688 251129910 /nfs/dbraw/zinc/12/99/10/251129910.db2.gz SPURBRCCEFABJV-AWEZNQCLSA-N 2 0 328.482 1.094 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417204014 251146363 /nfs/dbraw/zinc/14/63/63/251146363.db2.gz ZLBWUDTYVLCOJH-UJJTZGENSA-N 2 0 330.476 1.742 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000417318326 251158226 /nfs/dbraw/zinc/15/82/26/251158226.db2.gz YMDFVTISKZNQIO-DLBZAZTESA-N 2 0 334.464 1.357 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417321957 251159984 /nfs/dbraw/zinc/15/99/84/251159984.db2.gz DRPPQGBUQRJXFC-HLLBOEOZSA-N 2 0 326.485 1.175 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000417542848 251184273 /nfs/dbraw/zinc/18/42/73/251184273.db2.gz FBHHCPSEYVQOIQ-DZGCQCFKSA-N 2 0 326.485 1.173 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417557622 251186879 /nfs/dbraw/zinc/18/68/79/251186879.db2.gz RYSGJKJOYVMAEP-ZACQAIPSSA-N 2 0 340.512 1.789 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417556627 251187240 /nfs/dbraw/zinc/18/72/40/251187240.db2.gz PAPQWJLCNSKUNP-UONOGXRCSA-N 2 0 332.439 1.937 20 0 EDADRP CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[NH2+]C1 ZINC000417435505 251172689 /nfs/dbraw/zinc/17/26/89/251172689.db2.gz BSLPRQWCKMQSSM-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417579771 251196645 /nfs/dbraw/zinc/19/66/45/251196645.db2.gz BHHFIWWMRAGIHQ-QGZVFWFLSA-N 2 0 333.480 1.735 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417657491 251215739 /nfs/dbraw/zinc/21/57/39/251215739.db2.gz WDUNDOZOFYXGPH-KSZLIROESA-N 2 0 328.460 1.512 20 0 EDADRP [NH3+]CCCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417622559 251206684 /nfs/dbraw/zinc/20/66/84/251206684.db2.gz HKCUZFCOMVWQDT-UHFFFAOYSA-N 2 0 328.526 1.776 20 0 EDADRP COC[C@]1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000417704482 251236284 /nfs/dbraw/zinc/23/62/84/251236284.db2.gz LBAQFVGWEPXHPM-GOSISDBHSA-N 2 0 340.512 1.710 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417681453 251226902 /nfs/dbraw/zinc/22/69/02/251226902.db2.gz JNWYYBUPXDGLKL-ZBFHGGJFSA-N 2 0 326.485 1.160 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000417721388 251242403 /nfs/dbraw/zinc/24/24/03/251242403.db2.gz ACRBFNUDNXSURB-SJORKVTESA-N 2 0 347.507 1.624 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1 ZINC000417818544 251282734 /nfs/dbraw/zinc/28/27/34/251282734.db2.gz FQZRVCFYLCNVPB-SJORKVTESA-N 2 0 334.439 1.793 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418078527 251320820 /nfs/dbraw/zinc/32/08/20/251320820.db2.gz WJEBDBMTCXXUNV-ROUUACIJSA-N 2 0 346.475 1.314 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418422124 251366588 /nfs/dbraw/zinc/36/65/88/251366588.db2.gz CIEMRDHDBDAJGD-MRXNPFEDSA-N 2 0 340.512 1.646 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418306159 251357974 /nfs/dbraw/zinc/35/79/74/251357974.db2.gz JQEPITKLHMVYDY-CJNGLKHVSA-N 2 0 338.402 1.462 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000262562663 139286950 /nfs/dbraw/zinc/28/69/50/139286950.db2.gz AKWZPVIUPKQCTQ-MRXNPFEDSA-N 2 0 330.476 1.163 20 0 EDADRP C[NH2+]CC1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000262578491 139287858 /nfs/dbraw/zinc/28/78/58/139287858.db2.gz YOVVGAYXEYFZDP-UHFFFAOYSA-N 2 0 325.478 1.368 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418764739 251421387 /nfs/dbraw/zinc/42/13/87/251421387.db2.gz JMJBTVBSMDBLJD-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000262625265 139291033 /nfs/dbraw/zinc/29/10/33/139291033.db2.gz BENHFAYAWOWDDN-DLBZAZTESA-N 2 0 331.460 1.387 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262672688 139295326 /nfs/dbraw/zinc/29/53/26/139295326.db2.gz SIFLGFZWSUZCOC-ROUUACIJSA-N 2 0 333.476 1.532 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)c2)CC1 ZINC000262685353 139296187 /nfs/dbraw/zinc/29/61/87/139296187.db2.gz XQLMYCWDCAFWAG-HOTGVXAUSA-N 2 0 344.459 1.450 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262722667 139298972 /nfs/dbraw/zinc/29/89/72/139298972.db2.gz GCRQSSWVQLNJKF-CRAIPNDOSA-N 2 0 333.476 1.676 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@H]3CCCC[C@@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000422875013 252008332 /nfs/dbraw/zinc/00/83/32/252008332.db2.gz BHBGZONYXYMSJU-QIIPPGSGSA-N 2 0 330.432 1.348 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000422889324 252012247 /nfs/dbraw/zinc/01/22/47/252012247.db2.gz FUWYGUSXUUKXRS-WMLDXEAASA-N 2 0 346.475 1.302 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000423171677 252041418 /nfs/dbraw/zinc/04/14/18/252041418.db2.gz PNBBUSUCAAGVSA-UHFFFAOYSA-N 2 0 340.512 1.010 20 0 EDADRP C[C@@H]([NH2+]CCC[NH3+])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423174582 252042206 /nfs/dbraw/zinc/04/22/06/252042206.db2.gz BDYQZOFBRJDGBV-CYBMUJFWSA-N 2 0 337.445 1.758 20 0 EDADRP COCCc1nc(C)c([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)s1 ZINC000423176682 252042567 /nfs/dbraw/zinc/04/25/67/252042567.db2.gz CNLNTNOGZALADQ-CYBMUJFWSA-N 2 0 326.510 1.586 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320360 252046580 /nfs/dbraw/zinc/04/65/80/252046580.db2.gz GDBWLNYMBZRYNO-NVXWUHKLSA-N 2 0 339.505 1.873 20 0 EDADRP C[N@H+](CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000423354350 252050482 /nfs/dbraw/zinc/05/04/82/252050482.db2.gz NIESUNFMISIBAQ-MRXNPFEDSA-N 2 0 341.459 1.739 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000423645285 252063963 /nfs/dbraw/zinc/06/39/63/252063963.db2.gz KSFFZGFLXFWHCL-WMZOPIPTSA-N 2 0 330.476 1.537 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422906229 252018228 /nfs/dbraw/zinc/01/82/28/252018228.db2.gz UQEKNPPBKQLNPW-CQSZACIVSA-N 2 0 327.494 1.731 20 0 EDADRP C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422911215 252020669 /nfs/dbraw/zinc/02/06/69/252020669.db2.gz KJEMAGVEFCHWRR-MSOLQXFVSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]1 ZINC000423858060 252093436 /nfs/dbraw/zinc/09/34/36/252093436.db2.gz YTUIPHWZKSDKBH-YTQUADARSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCCCCC1 ZINC000423994279 252110313 /nfs/dbraw/zinc/11/03/13/252110313.db2.gz CBEOZRWZBZWLPU-GDBMZVCRSA-N 2 0 334.468 1.165 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000424049745 252125076 /nfs/dbraw/zinc/12/50/76/252125076.db2.gz YPBGVCNTOFAIEF-UHFFFAOYSA-N 2 0 332.492 1.832 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423800673 252081587 /nfs/dbraw/zinc/08/15/87/252081587.db2.gz RWDGFUKMCCWUEA-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424229268 252173392 /nfs/dbraw/zinc/17/33/92/252173392.db2.gz YTUVYUZFLOWJMW-QGZVFWFLSA-N 2 0 325.416 1.350 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)ccc1C[NH+](C)C ZINC000415609861 304238363 /nfs/dbraw/zinc/23/83/63/304238363.db2.gz HMMKLVTVWGCJBG-LRDDRELGSA-N 2 0 332.448 1.109 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)Nc3cc(C)cc(C[NH3+])c3)C2)CC1 ZINC000424437808 252231218 /nfs/dbraw/zinc/23/12/18/252231218.db2.gz ORBMTKRMVIJEPG-SFHVURJKSA-N 2 0 345.491 1.697 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@@H+]1C[C@H](C)O ZINC000424440451 252231348 /nfs/dbraw/zinc/23/13/48/252231348.db2.gz UNWRFFNQMRZZBZ-YOEHRIQHSA-N 2 0 334.464 1.763 20 0 EDADRP COC1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000164614135 532972240 /nfs/dbraw/zinc/97/22/40/532972240.db2.gz DMOCQTNKXADLGE-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000111865057 285032883 /nfs/dbraw/zinc/03/28/83/285032883.db2.gz MWHSLCDPBSDQIM-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415655734 304249330 /nfs/dbraw/zinc/24/93/30/304249330.db2.gz OGQURQYVLNJICZ-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)CC1 ZINC000112412424 220323882 /nfs/dbraw/zinc/32/38/82/220323882.db2.gz AXBUYYAUIKWJJD-SFHVURJKSA-N 2 0 341.540 1.654 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000112466075 220332621 /nfs/dbraw/zinc/33/26/21/220332621.db2.gz TXKGIOQNULRVGG-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000570099886 306530330 /nfs/dbraw/zinc/53/03/30/306530330.db2.gz DBASDAYKFIIJEB-CQSZACIVSA-N 2 0 325.416 1.676 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000415698466 304258616 /nfs/dbraw/zinc/25/86/16/304258616.db2.gz YOSBAYOVAUKPRU-LJQANCHMSA-N 2 0 346.475 1.664 20 0 EDADRP O=C1O[C@]2(CN1CN1CC[NH+](C3CCCC3)CC1)C[NH+]1CCC2CC1 ZINC000496909812 296412637 /nfs/dbraw/zinc/41/26/37/296412637.db2.gz NLTXCXIKRSQYRR-IBGZPJMESA-N 2 0 348.491 1.421 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000487524650 255031869 /nfs/dbraw/zinc/03/18/69/255031869.db2.gz XXAIFOJDMSHPSE-AZUAARDMSA-N 2 0 344.503 1.897 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000491847690 255151926 /nfs/dbraw/zinc/15/19/26/255151926.db2.gz RGYQHGOMKXIKLW-FLIBITNWSA-N 2 0 346.475 1.815 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cnn(C)c1C ZINC000492301720 255168828 /nfs/dbraw/zinc/16/88/28/255168828.db2.gz OFEQBKSZYCHMNP-HJCTWCACSA-N 2 0 347.507 1.616 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494607755 255255854 /nfs/dbraw/zinc/25/58/54/255255854.db2.gz NAZBTCRPRDNZCS-HUUCEWRRSA-N 2 0 329.485 1.942 20 0 EDADRP COC(=O)Nc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000495600640 255307442 /nfs/dbraw/zinc/30/74/42/255307442.db2.gz ATJLHROOVQQWIK-UHFFFAOYSA-N 2 0 336.436 1.430 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496162366 255359570 /nfs/dbraw/zinc/35/95/70/255359570.db2.gz UMKHGTRYBBDPAM-MRXNPFEDSA-N 2 0 343.512 1.926 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)[C@H](C)C1 ZINC000119113362 221247741 /nfs/dbraw/zinc/24/77/41/221247741.db2.gz BBCFCTSPVGGMAB-LMMKCTJWSA-N 2 0 345.487 1.986 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000570594259 306546148 /nfs/dbraw/zinc/54/61/48/306546148.db2.gz TZWAANXEYQXPSX-VQIMIIECSA-N 2 0 332.492 1.432 20 0 EDADRP Cc1cccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000264277173 139392729 /nfs/dbraw/zinc/39/27/29/139392729.db2.gz DUOPLDMGFKMABY-INIZCTEOSA-N 2 0 333.476 1.958 20 0 EDADRP COC[C@](C)(O)C[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000571498161 306567148 /nfs/dbraw/zinc/56/71/48/306567148.db2.gz LFIVVVWGAGPFDD-SJLPKXTDSA-N 2 0 334.460 1.962 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240476 304299863 /nfs/dbraw/zinc/29/98/63/304299863.db2.gz JRPZUJJBTCLESA-RBUKOAKNSA-N 2 0 343.471 1.366 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000271080842 140232477 /nfs/dbraw/zinc/23/24/77/140232477.db2.gz GCYJFWGFIVZCLX-MRXNPFEDSA-N 2 0 349.475 1.212 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000271137944 140244358 /nfs/dbraw/zinc/24/43/58/140244358.db2.gz ROJCZTSNOCSNHG-YOEHRIQHSA-N 2 0 337.439 1.513 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000271181211 140252443 /nfs/dbraw/zinc/25/24/43/140252443.db2.gz YSPKGYZJBKCEOQ-QGZVFWFLSA-N 2 0 333.476 1.593 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)ncn4C)C2)CC1 ZINC000271751047 140344210 /nfs/dbraw/zinc/34/42/10/140344210.db2.gz VIIXNCDSGKGYTJ-KRWDZBQOSA-N 2 0 327.476 1.785 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000272083125 140397722 /nfs/dbraw/zinc/39/77/22/140397722.db2.gz LXIYFOYCMDHDJV-GOSISDBHSA-N 2 0 328.460 1.822 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000571866003 306576115 /nfs/dbraw/zinc/57/61/15/306576115.db2.gz CVPPKYPVIAJFLO-XMTFNYHQSA-N 2 0 334.508 1.938 20 0 EDADRP C[C@H](c1cccnc1)N1CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000332523247 141195655 /nfs/dbraw/zinc/19/56/55/141195655.db2.gz AVWDIJPVTFGGOS-INMHGKMJSA-N 2 0 331.464 1.610 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1CCC[NH2+]CC1 ZINC000333133130 141269538 /nfs/dbraw/zinc/26/95/38/141269538.db2.gz BZBQLERMVASWOF-UHFFFAOYSA-N 2 0 338.496 1.274 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000333251549 141287911 /nfs/dbraw/zinc/28/79/11/141287911.db2.gz GVZSJBSWTYZCQN-MGPQQGTHSA-N 2 0 343.518 1.489 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000333305010 141295866 /nfs/dbraw/zinc/29/58/66/141295866.db2.gz MZVQRYDDOGSHFL-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000333408346 141313335 /nfs/dbraw/zinc/31/33/35/141313335.db2.gz QYKZZKXXAXYHOC-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000333448052 141318388 /nfs/dbraw/zinc/31/83/88/141318388.db2.gz XCMXGFXCNNMHGM-HNNXBMFYSA-N 2 0 340.537 1.789 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333672680 141354190 /nfs/dbraw/zinc/35/41/90/141354190.db2.gz NKPIRGZKBRLSMR-WBVHZDCISA-N 2 0 338.496 1.128 20 0 EDADRP Cc1nocc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000339237839 141988534 /nfs/dbraw/zinc/98/85/34/141988534.db2.gz VVNXYULJLSTNMO-UHFFFAOYSA-N 2 0 330.436 1.465 20 0 EDADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000339277025 142000932 /nfs/dbraw/zinc/00/09/32/142000932.db2.gz WKXDEFIZQLLUSW-HZPDHXFCSA-N 2 0 326.481 1.935 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000340353931 142356447 /nfs/dbraw/zinc/35/64/47/142356447.db2.gz YPEBNCSMYFIQAZ-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000344903527 143025391 /nfs/dbraw/zinc/02/53/91/143025391.db2.gz GFYKEDWZFHUFDV-MRXNPFEDSA-N 2 0 330.542 1.797 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000345143768 143057021 /nfs/dbraw/zinc/05/70/21/143057021.db2.gz ROLKMADSMLCQTP-KRWDZBQOSA-N 2 0 341.544 1.243 20 0 EDADRP CO[C@H]1C[C@H](C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345148592 143057553 /nfs/dbraw/zinc/05/75/53/143057553.db2.gz MPCVOJROBCBANU-MSOLQXFVSA-N 2 0 326.529 1.053 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346227116 143180994 /nfs/dbraw/zinc/18/09/94/143180994.db2.gz BLWOFHDIKYKTMO-MWDXBVQZSA-N 2 0 340.512 1.467 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@H+](C(C)C)CCO2)[NH+](C)C)cc1 ZINC000346282796 143186636 /nfs/dbraw/zinc/18/66/36/143186636.db2.gz NAZXHBFKHRGXDP-MSOLQXFVSA-N 2 0 333.476 1.823 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC000346395201 143200309 /nfs/dbraw/zinc/20/03/09/143200309.db2.gz RGFQVNVQZNDKSL-IKGGRYGDSA-N 2 0 340.512 1.467 20 0 EDADRP COc1ccsc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346645538 143225838 /nfs/dbraw/zinc/22/58/38/143225838.db2.gz DTURTFVXGUXEMQ-ZIAGYGMSSA-N 2 0 337.489 1.837 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1)[C@H]1CCC[NH2+]1 ZINC000346682757 143231343 /nfs/dbraw/zinc/23/13/43/143231343.db2.gz PNQHVGDLEJIOCT-WMLDXEAASA-N 2 0 341.459 1.643 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CCOC)CC[NH+](C)C ZINC000347478819 143326736 /nfs/dbraw/zinc/32/67/36/143326736.db2.gz GJSLKOHWDHDPPN-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000347683904 143349334 /nfs/dbraw/zinc/34/93/34/143349334.db2.gz LSHWFGBSTGVSCA-MRXNPFEDSA-N 2 0 325.497 1.535 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348083448 143398866 /nfs/dbraw/zinc/39/88/66/143398866.db2.gz YHIZTSMMQYLKMR-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369721619 155149312 /nfs/dbraw/zinc/14/93/12/155149312.db2.gz FZQKLDPBLDOUBA-UHOSZYNNSA-N 2 0 346.519 1.987 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000341417785 292168517 /nfs/dbraw/zinc/16/85/17/292168517.db2.gz BPUPFVCBWKBJNX-CQSZACIVSA-N 2 0 328.501 1.515 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000417670593 286060563 /nfs/dbraw/zinc/06/05/63/286060563.db2.gz OJUKUQJRKAZFGC-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000416856041 304352119 /nfs/dbraw/zinc/35/21/19/304352119.db2.gz QRDUAUPGTLSVQF-AEFFLSMTSA-N 2 0 346.475 1.883 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000353042914 149264157 /nfs/dbraw/zinc/26/41/57/149264157.db2.gz PXYLRBHFMMHQSB-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)CC(=O)NC1CC[NH+](CC)CC1 ZINC000353154277 149305559 /nfs/dbraw/zinc/30/55/59/149305559.db2.gz MAOKBQGEZMYDAY-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000416968484 304357001 /nfs/dbraw/zinc/35/70/01/304357001.db2.gz JDPWJZWYEHOBRW-FUHWJXTLSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C2(N3CCN(C)CC3)CCCC2)C1 ZINC000369942865 155244716 /nfs/dbraw/zinc/24/47/16/155244716.db2.gz HTNABSNUWNMIJB-KRWDZBQOSA-N 2 0 336.524 1.395 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(CC[NH3+])CCO ZINC000416972083 304358226 /nfs/dbraw/zinc/35/82/26/304358226.db2.gz HUZONBGTNQIUDB-INIZCTEOSA-N 2 0 348.491 1.524 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000416975753 304359476 /nfs/dbraw/zinc/35/94/76/304359476.db2.gz ZWTDQTKUHWGYGF-GOSISDBHSA-N 2 0 348.491 1.705 20 0 EDADRP C[NH2+]CCCNC(=O)NCc1ccc(N2C[C@@H](C)O[C@@H](C)C2)nc1 ZINC000416976890 304359290 /nfs/dbraw/zinc/35/92/90/304359290.db2.gz AIKTZBMIIUIMLU-OKILXGFUSA-N 2 0 335.452 1.104 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416977678 304359726 /nfs/dbraw/zinc/35/97/26/304359726.db2.gz UCOMDEWHEDDEBN-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP COCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC[NH2+]CC1 ZINC000262324512 292218477 /nfs/dbraw/zinc/21/84/77/292218477.db2.gz DBPNUGLTKZJSGB-QGZVFWFLSA-N 2 0 333.476 1.730 20 0 EDADRP COCC1(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262442216 292220927 /nfs/dbraw/zinc/22/09/27/292220927.db2.gz YFHOXIWEMMOQCP-HRCADAONSA-N 2 0 325.497 1.485 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC2(C[NH+](C)C)CCC2)cc1 ZINC000355327463 150218619 /nfs/dbraw/zinc/21/86/19/150218619.db2.gz QIQLKRPFKKRUCX-UHFFFAOYSA-N 2 0 325.478 1.511 20 0 EDADRP C[C@@H](NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000417030865 304362548 /nfs/dbraw/zinc/36/25/48/304362548.db2.gz WYAUCDIHDGPSHV-DLBZAZTESA-N 2 0 347.507 1.229 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417046046 304366353 /nfs/dbraw/zinc/36/63/53/304366353.db2.gz ZDTQVXCWHVQHSH-CRAIPNDOSA-N 2 0 330.476 1.732 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N[C@H](C)C[NH3+])CC2)c1 ZINC000417050508 304366916 /nfs/dbraw/zinc/36/69/16/304366916.db2.gz KKDDQFUHIACGCS-QGZVFWFLSA-N 2 0 347.507 1.544 20 0 EDADRP CSC1(CNC(=O)NC2CC[NH+](C(C)C)CC2)CC[NH+](C)CC1 ZINC000357619105 151087394 /nfs/dbraw/zinc/08/73/94/151087394.db2.gz CIVFQJOMLWUYRA-UHFFFAOYSA-N 2 0 342.553 1.986 20 0 EDADRP C[C@H]1CN(C(=O)c2cn(C)nc2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000358084465 151264356 /nfs/dbraw/zinc/26/43/56/151264356.db2.gz WNMKJFRAZWLFHF-AWEZNQCLSA-N 2 0 345.491 1.538 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000417118184 304374160 /nfs/dbraw/zinc/37/41/60/304374160.db2.gz RJCAMKSSBDTVCB-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N3CC[C@@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549972 152091230 /nfs/dbraw/zinc/09/12/30/152091230.db2.gz HKJQXQUZAMZYMD-PKOBYXMFSA-N 2 0 345.443 1.495 20 0 EDADRP COc1ccc(CNC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000360572042 152102471 /nfs/dbraw/zinc/10/24/71/152102471.db2.gz ISKJODPDTKJXRN-LSDHHAIUSA-N 2 0 348.447 1.181 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000417138637 304376795 /nfs/dbraw/zinc/37/67/95/304376795.db2.gz OSTDVNPEGAQWMW-IAGOWNOFSA-N 2 0 331.464 1.487 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360897793 152245893 /nfs/dbraw/zinc/24/58/93/152245893.db2.gz OUGOEMFHRYZGHT-VQIMIIECSA-N 2 0 344.503 1.785 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3cccc(CO)c3)C2)CC1 ZINC000361052503 152290745 /nfs/dbraw/zinc/29/07/45/152290745.db2.gz NMKWRIFBTMYPCM-KRWDZBQOSA-N 2 0 346.475 1.147 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCCOCC2)[C@@H](C)C1 ZINC000361337853 152365281 /nfs/dbraw/zinc/36/52/81/152365281.db2.gz YXJANIBNSBCOHO-ZWKOTPCHSA-N 2 0 327.513 1.435 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000417158554 304379002 /nfs/dbraw/zinc/37/90/02/304379002.db2.gz BJGXQDPGCFITSI-CHWSQXEVSA-N 2 0 332.370 1.710 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC[NH2+]C1 ZINC000417159358 304379102 /nfs/dbraw/zinc/37/91/02/304379102.db2.gz XEXGIBKDVKVHIH-KRWDZBQOSA-N 2 0 345.491 1.250 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000417182912 304381726 /nfs/dbraw/zinc/38/17/26/304381726.db2.gz SWOUODGDEQMSNU-MRXNPFEDSA-N 2 0 334.464 1.870 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863379 153078952 /nfs/dbraw/zinc/07/89/52/153078952.db2.gz UGJLQEIYZAFAKI-HNAYVOBHSA-N 2 0 342.487 1.893 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000364061492 153135609 /nfs/dbraw/zinc/13/56/09/153135609.db2.gz PIBZSKQLPAZVOY-INIZCTEOSA-N 2 0 331.460 1.937 20 0 EDADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000364115568 153148452 /nfs/dbraw/zinc/14/84/52/153148452.db2.gz ZJBXPSFZLZKRHO-IRXDYDNUSA-N 2 0 337.508 1.903 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364216127 153176111 /nfs/dbraw/zinc/17/61/11/153176111.db2.gz ASNGQKYUQISZQE-APWZRJJASA-N 2 0 335.492 1.385 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364608438 153286818 /nfs/dbraw/zinc/28/68/18/153286818.db2.gz ZXAVTZANSMYORM-LPHOPBHVSA-N 2 0 343.427 1.534 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417216129 304385090 /nfs/dbraw/zinc/38/50/90/304385090.db2.gz OMMVNXCUSFZYPR-JQHSSLGASA-N 2 0 340.512 1.565 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC34CCOCC4)ccn2)CC1 ZINC000367107023 154010913 /nfs/dbraw/zinc/01/09/13/154010913.db2.gz LJDPFOMXSPJDKP-QGZVFWFLSA-N 2 0 330.476 1.882 20 0 EDADRP COC(=O)[C@@H](CC(C)C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000367213549 154044272 /nfs/dbraw/zinc/04/42/72/154044272.db2.gz WVIGKUGFEHPMIH-QGZVFWFLSA-N 2 0 339.524 1.924 20 0 EDADRP CS(=O)(=O)N1CC[C@@H](C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1 ZINC000367274395 154062996 /nfs/dbraw/zinc/06/29/96/154062996.db2.gz MCDVLGQVKPEFOB-GJZGRUSLSA-N 2 0 338.477 1.097 20 0 EDADRP CC1CCC([NH+]2CCC(N(C)C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000367650458 154212419 /nfs/dbraw/zinc/21/24/19/154212419.db2.gz GESIMGFLZDYMEK-UPTPFMHGSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCC(C)CC1 ZINC000417304018 304391847 /nfs/dbraw/zinc/39/18/47/304391847.db2.gz FANGUKYXDDXJEV-INIZCTEOSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326564 304392146 /nfs/dbraw/zinc/39/21/46/304392146.db2.gz KIXIOTJAQLDPFC-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417343815 304393087 /nfs/dbraw/zinc/39/30/87/304393087.db2.gz QXTZOJSLAVAXAA-HNNXBMFYSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000369598776 155103471 /nfs/dbraw/zinc/10/34/71/155103471.db2.gz CXBZEYYFKRJOPY-OALUTQOASA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000417486059 304399920 /nfs/dbraw/zinc/39/99/20/304399920.db2.gz XTWDGGQSXIBYCQ-UHFFFAOYSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000372333706 156339316 /nfs/dbraw/zinc/33/93/16/156339316.db2.gz SAFDERRVNPQRPA-HOJAQTOUSA-N 2 0 331.504 1.852 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000368195578 292348821 /nfs/dbraw/zinc/34/88/21/292348821.db2.gz WOLMKIGOXNZVNI-SFHVURJKSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@H](C)O1 ZINC000374146904 157164761 /nfs/dbraw/zinc/16/47/61/157164761.db2.gz YGBKFTPXFPKFCL-IYBDPMFKSA-N 2 0 337.508 1.676 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374285813 157226849 /nfs/dbraw/zinc/22/68/49/157226849.db2.gz DLOPGKUYCFXWFK-KGLIPLIRSA-N 2 0 336.480 1.417 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cncn1C ZINC000378113566 158081348 /nfs/dbraw/zinc/08/13/48/158081348.db2.gz LJPWFNLVWOMHJZ-RHSMWYFYSA-N 2 0 342.447 1.525 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cncn1C ZINC000378113570 158081853 /nfs/dbraw/zinc/08/18/53/158081853.db2.gz LJPWFNLVWOMHJZ-YOEHRIQHSA-N 2 0 342.447 1.525 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378268710 158125471 /nfs/dbraw/zinc/12/54/71/158125471.db2.gz FCHBUZRLBHLWGG-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(NC(=O)[C@H](C)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)on1 ZINC000378298310 158132166 /nfs/dbraw/zinc/13/21/66/158132166.db2.gz YEHDAYWVCNPMKU-GOEBONIOSA-N 2 0 349.479 1.410 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417549576 304426845 /nfs/dbraw/zinc/42/68/45/304426845.db2.gz TZHREFHUPHTGDR-GJZGRUSLSA-N 2 0 340.512 1.645 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000352364973 162142196 /nfs/dbraw/zinc/14/21/96/162142196.db2.gz LKFMQXUOHIUDJF-BJLQDIEVSA-N 2 0 329.488 1.505 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000372075889 162452065 /nfs/dbraw/zinc/45/20/65/162452065.db2.gz CKJPCJZMIRXQRO-RBUKOAKNSA-N 2 0 344.503 1.703 20 0 EDADRP COC[C@]1(CNC(=O)NCC2(C[NH+](C)C)CCCC2)CCC[NH2+]1 ZINC000418005277 304445179 /nfs/dbraw/zinc/44/51/79/304445179.db2.gz AXOLZRIFQASTHM-QGZVFWFLSA-N 2 0 326.485 1.176 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364724051 287013829 /nfs/dbraw/zinc/01/38/29/287013829.db2.gz MTMDBUYVSHCVJQ-PASDCYSWSA-N 2 0 337.508 1.900 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418064622 304453350 /nfs/dbraw/zinc/45/33/50/304453350.db2.gz JYOWZPUJUZETAC-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000067612940 287246355 /nfs/dbraw/zinc/24/63/55/287246355.db2.gz VGQZZQQNBSIBHF-KRWDZBQOSA-N 2 0 338.496 1.005 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000073477684 287260678 /nfs/dbraw/zinc/26/06/78/287260678.db2.gz RLGXVWBSCCVNOI-SFHVURJKSA-N 2 0 344.503 1.506 20 0 EDADRP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH+]1CCN(C)CC1 ZINC000073637952 287262042 /nfs/dbraw/zinc/26/20/42/287262042.db2.gz UXUCGIXJNQIQPT-GOSISDBHSA-N 2 0 338.540 1.495 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000074169644 287269057 /nfs/dbraw/zinc/26/90/57/287269057.db2.gz ZCJYHTLEJAYJNG-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CN(C)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)c1ccco1 ZINC000078485028 287293618 /nfs/dbraw/zinc/29/36/18/287293618.db2.gz PDPCWOFJBFAGKP-OAHLLOKOSA-N 2 0 338.452 1.294 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297399 304476605 /nfs/dbraw/zinc/47/66/05/304476605.db2.gz KTUQUYBBCFGVFU-IRXDYDNUSA-N 2 0 339.528 1.091 20 0 EDADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000158830645 225093517 /nfs/dbraw/zinc/09/35/17/225093517.db2.gz XHAHNQZDEOIIFA-IBGZPJMESA-N 2 0 344.503 1.453 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418317496 304479254 /nfs/dbraw/zinc/47/92/54/304479254.db2.gz MSNMJDFRGCBBKT-WFASDCNBSA-N 2 0 326.391 1.319 20 0 EDADRP C[C@@]1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000121731528 287374083 /nfs/dbraw/zinc/37/40/83/287374083.db2.gz USUXEAARFFRQHZ-FQEVSTJZSA-N 2 0 344.503 1.453 20 0 EDADRP COC1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000167143205 226180584 /nfs/dbraw/zinc/18/05/84/226180584.db2.gz HTWKBIIMTLZQIO-OAHLLOKOSA-N 2 0 335.448 1.610 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc21 ZINC000169235041 226235320 /nfs/dbraw/zinc/23/53/20/226235320.db2.gz BTWCOCRAKZTLAE-QGZVFWFLSA-N 2 0 344.459 1.910 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000418379029 304488464 /nfs/dbraw/zinc/48/84/64/304488464.db2.gz IRDYHEMUANEOSB-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000122038281 222000537 /nfs/dbraw/zinc/00/05/37/222000537.db2.gz WRUVQMYTRJURRB-KURKYZTESA-N 2 0 337.508 1.745 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000122352064 222067971 /nfs/dbraw/zinc/06/79/71/222067971.db2.gz URFOMJPEAZAUDV-IEBWSBKVSA-N 2 0 348.491 1.263 20 0 EDADRP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000129020829 287467979 /nfs/dbraw/zinc/46/79/79/287467979.db2.gz ARSSLXJLNOYORR-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000237630531 273011449 /nfs/dbraw/zinc/01/14/49/273011449.db2.gz RPJJAQQQKPIBCQ-GASCZTMLSA-N 2 0 331.460 1.664 20 0 EDADRP CC(C)OCC[NH+]1CCC(N[C@H](Cc2ccccc2)C(N)=O)CC1 ZINC000273505547 268055125 /nfs/dbraw/zinc/05/51/25/268055125.db2.gz ZTIAULKHSLGRFR-GOSISDBHSA-N 2 0 333.476 1.562 20 0 EDADRP Cc1nn2c(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)c(C)nc2s1 ZINC000274436991 268139275 /nfs/dbraw/zinc/13/92/75/268139275.db2.gz AMBMPQTUOMKHFG-LBPRGKRZSA-N 2 0 336.509 1.523 20 0 EDADRP COC(=O)CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000274589869 268165325 /nfs/dbraw/zinc/16/53/25/268165325.db2.gz JREBGOVTVKQMBK-QGZVFWFLSA-N 2 0 349.475 1.679 20 0 EDADRP COC1(C)CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000274653181 268177321 /nfs/dbraw/zinc/17/73/21/268177321.db2.gz NSQYGTVMVGXALF-QGZVFWFLSA-N 2 0 333.476 1.906 20 0 EDADRP CN(CCOCC1CC1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274679301 268182277 /nfs/dbraw/zinc/18/22/77/268182277.db2.gz WKRHWQRKCSMUBN-SFHVURJKSA-N 2 0 333.476 1.764 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000273108440 273028926 /nfs/dbraw/zinc/02/89/26/273028926.db2.gz QUEMWHHFBJANEF-MSOLQXFVSA-N 2 0 347.503 1.982 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279535060 268853450 /nfs/dbraw/zinc/85/34/50/268853450.db2.gz ACDKGPXRNSOGDP-CQSZACIVSA-N 2 0 348.882 1.646 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)ccc1=O ZINC000273649534 273049086 /nfs/dbraw/zinc/04/90/86/273049086.db2.gz AQEMQIUGONZJET-QGZVFWFLSA-N 2 0 332.448 1.223 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000274195370 273076721 /nfs/dbraw/zinc/07/67/21/273076721.db2.gz PIIICVWGHADSAC-CRAIPNDOSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC000275628981 273114887 /nfs/dbraw/zinc/11/48/87/273114887.db2.gz KLXWGWWKIFBVTB-JKSUJKDBSA-N 2 0 348.491 1.710 20 0 EDADRP CC(C)c1ncc(Cl)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000104533864 272919727 /nfs/dbraw/zinc/91/97/27/272919727.db2.gz FBHBXPNUWZZFAV-UHFFFAOYSA-N 2 0 341.887 1.819 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000279971399 273337908 /nfs/dbraw/zinc/33/79/08/273337908.db2.gz PUMSEIZYNSOJPP-GOSISDBHSA-N 2 0 330.476 1.720 20 0 EDADRP Cc1ccccc1-n1nccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000280836602 273404840 /nfs/dbraw/zinc/40/48/40/273404840.db2.gz KGFSUADSKJMZOV-KRWDZBQOSA-N 2 0 327.476 1.906 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283961111 274027415 /nfs/dbraw/zinc/02/74/15/274027415.db2.gz JZJHKMOLUBVXSD-RDJZCZTQSA-N 2 0 348.491 1.252 20 0 EDADRP COCc1ncsc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000284383078 274182607 /nfs/dbraw/zinc/18/26/07/274182607.db2.gz PKRNZPXUWOVEPV-UHFFFAOYSA-N 2 0 342.509 1.635 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000362564587 275011280 /nfs/dbraw/zinc/01/12/80/275011280.db2.gz MFQVMUNDXUKVBE-GJZGRUSLSA-N 2 0 331.464 1.577 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078402 276017312 /nfs/dbraw/zinc/01/73/12/276017312.db2.gz VTADDYDMQLJYHJ-GOSISDBHSA-N 2 0 348.491 1.576 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423857731 276018681 /nfs/dbraw/zinc/01/86/81/276018681.db2.gz YEZLPQDOFMLTTP-SJLPKXTDSA-N 2 0 333.476 1.782 20 0 EDADRP CCC[C@@H](C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[NH+](C)C ZINC000367285360 276020849 /nfs/dbraw/zinc/02/08/49/276020849.db2.gz JXMCSIRAAJRQCA-SFHVURJKSA-N 2 0 338.540 1.734 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000372102683 276196932 /nfs/dbraw/zinc/19/69/32/276196932.db2.gz PVPBLPIEOYULNR-IBGZPJMESA-N 2 0 348.466 1.142 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000347499356 276200538 /nfs/dbraw/zinc/20/05/38/276200538.db2.gz KFEQXDJPJRYHMV-SFHVURJKSA-N 2 0 328.460 1.142 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](CO)[C@@H]2CCOC2)CC1 ZINC000360771071 276203625 /nfs/dbraw/zinc/20/36/25/276203625.db2.gz HEIRHUXPMHJOCE-MOPGFXCFSA-N 2 0 347.503 1.563 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)C(F)F)CC1 ZINC000344758009 276263145 /nfs/dbraw/zinc/26/31/45/276263145.db2.gz JAYNQTAHJXWDKE-INIZCTEOSA-N 2 0 327.419 1.934 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C12CCCC2 ZINC000344177398 276344693 /nfs/dbraw/zinc/34/46/93/276344693.db2.gz UCWYAQZWNHISIG-BRWVUGGUSA-N 2 0 337.508 1.901 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccccc1-n1ccnn1)CN1CC[NH+](C)CC1 ZINC000285904214 287887168 /nfs/dbraw/zinc/88/71/68/287887168.db2.gz CVRFSOGIMBBSAR-SJORKVTESA-N 2 0 342.491 1.801 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000369203073 276363175 /nfs/dbraw/zinc/36/31/75/276363175.db2.gz FUSHCZDABLGIID-IKGGRYGDSA-N 2 0 338.496 1.101 20 0 EDADRP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000346610783 277091133 /nfs/dbraw/zinc/09/11/33/277091133.db2.gz DMJDNXHYKZDMHY-OIISXLGYSA-N 2 0 347.459 1.289 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000417813416 277679161 /nfs/dbraw/zinc/67/91/61/277679161.db2.gz QYAWHCXBPPKPKQ-INIZCTEOSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@H]1CC[NH2+]C1 ZINC000423008012 278265506 /nfs/dbraw/zinc/26/55/06/278265506.db2.gz SEYLCYNZGAMIJS-WNHJNPCNSA-N 2 0 342.487 1.173 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418640639 288073351 /nfs/dbraw/zinc/07/33/51/288073351.db2.gz RBXTZRGGSOKDCK-OLMNPRSZSA-N 2 0 330.476 1.855 20 0 EDADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)N1CCNC1=O ZINC000025702884 279139070 /nfs/dbraw/zinc/13/90/70/279139070.db2.gz LKEJHAFERXPYGC-AWEZNQCLSA-N 2 0 332.448 1.558 20 0 EDADRP Cc1ncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000340455789 279153248 /nfs/dbraw/zinc/15/32/48/279153248.db2.gz DXNPOWOCOOURBT-UHFFFAOYSA-N 2 0 326.448 1.482 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000359556326 279177482 /nfs/dbraw/zinc/17/74/82/279177482.db2.gz VLXRVVIQVAORKA-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000360125649 279376952 /nfs/dbraw/zinc/37/69/52/279376952.db2.gz QBMGPOYGBMPJEH-LSDHHAIUSA-N 2 0 328.501 1.202 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333441534 279634623 /nfs/dbraw/zinc/63/46/23/279634623.db2.gz WCYXXAXASIOVOD-ULQDDVLXSA-N 2 0 338.496 1.277 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000333354579 279826316 /nfs/dbraw/zinc/82/63/16/279826316.db2.gz KCJGRFRJUXHILC-SFHVURJKSA-N 2 0 349.523 1.083 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000287251722 288192204 /nfs/dbraw/zinc/19/22/04/288192204.db2.gz GJEJOMVAEJLOBE-UHFFFAOYSA-N 2 0 334.464 1.090 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000417860122 280165546 /nfs/dbraw/zinc/16/55/46/280165546.db2.gz XRXIXWONFNNXPY-MRXNPFEDSA-N 2 0 334.464 1.180 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360749446 288290259 /nfs/dbraw/zinc/29/02/59/288290259.db2.gz ZIIXMIZFJIHDOQ-INMHGKMJSA-N 2 0 340.537 1.692 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287751714 288314576 /nfs/dbraw/zinc/31/45/76/288314576.db2.gz QGSSVIWCLZCXJQ-MRXNPFEDSA-N 2 0 328.464 1.555 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000288810112 288572510 /nfs/dbraw/zinc/57/25/10/288572510.db2.gz SMAUNBVIPYFXIO-ZDUSSCGKSA-N 2 0 337.420 1.154 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])nc2)CC1 ZINC000261723828 289070076 /nfs/dbraw/zinc/07/00/76/289070076.db2.gz HBXKWFFGLOLYJP-RHSMWYFYSA-N 2 0 345.491 1.926 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356623355 289131387 /nfs/dbraw/zinc/13/13/87/289131387.db2.gz RRBJOPCOGMDXCY-KRWDZBQOSA-N 2 0 326.529 1.593 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1sccc1F ZINC000338957977 289133836 /nfs/dbraw/zinc/13/38/36/289133836.db2.gz MXYFLYIHQQGMCX-UHFFFAOYSA-N 2 0 349.497 1.534 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000292092734 289259083 /nfs/dbraw/zinc/25/90/83/289259083.db2.gz NMPAXIAJMXDHST-QGZVFWFLSA-N 2 0 330.476 1.905 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000362759312 289399782 /nfs/dbraw/zinc/39/97/82/289399782.db2.gz ZBNLHMNXQVCXSC-VYDXJSESSA-N 2 0 340.537 1.549 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO)c1ccccc1 ZINC000292908395 289469919 /nfs/dbraw/zinc/46/99/19/289469919.db2.gz AWWQXVIPRKBZFH-HKUYNNGSSA-N 2 0 347.503 1.792 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H](C[NH3+])OC)[NH+]2CCCCC2)cc1 ZINC000353455929 295213047 /nfs/dbraw/zinc/21/30/47/295213047.db2.gz YYHFLHDQQMKSSL-IAGOWNOFSA-N 2 0 335.448 1.312 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]2CCCCC2)cc1 ZINC000262806202 295241520 /nfs/dbraw/zinc/24/15/20/295241520.db2.gz SHABWBNVLUKNAN-ROUUACIJSA-N 2 0 349.475 1.702 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000366663091 295632276 /nfs/dbraw/zinc/63/22/76/295632276.db2.gz BTQGWZWSYWXFEI-VQIMIIECSA-N 2 0 335.492 1.527 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000417223155 297226932 /nfs/dbraw/zinc/22/69/32/297226932.db2.gz RCVWMQQLEWYEIQ-RBSFLKMASA-N 2 0 326.485 1.112 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC[N@@H+]1C ZINC000341214342 297271106 /nfs/dbraw/zinc/27/11/06/297271106.db2.gz YSCBBYRKFKZJNY-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418627619 304520927 /nfs/dbraw/zinc/52/09/27/304520927.db2.gz BAFWJWCPOOWTRE-QAPCUYQASA-N 2 0 330.476 1.999 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000418800991 304531993 /nfs/dbraw/zinc/53/19/93/304531993.db2.gz XBODYRNWRZOUAX-SFHVURJKSA-N 2 0 348.491 1.447 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCCCCC1 ZINC000418895402 304545873 /nfs/dbraw/zinc/54/58/73/304545873.db2.gz CSOADASNYVBCGK-HUUCEWRRSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419025896 304556576 /nfs/dbraw/zinc/55/65/76/304556576.db2.gz ZPHBLNABLLOCMG-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CCC[N@@H+]2C)cn1 ZINC000377711393 447309298 /nfs/dbraw/zinc/30/92/98/447309298.db2.gz ZYOILCWOCFBEEE-OIISXLGYSA-N 2 0 348.495 1.149 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000660216312 453136843 /nfs/dbraw/zinc/13/68/43/453136843.db2.gz RDXBPVRWSSZZMN-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000419642159 447313960 /nfs/dbraw/zinc/31/39/60/447313960.db2.gz FNJQDBOOYBDERZ-KBPBESRZSA-N 2 0 334.464 1.086 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420376725 304753524 /nfs/dbraw/zinc/75/35/24/304753524.db2.gz KDUVPWXWHZJMQH-USXIJHARSA-N 2 0 341.496 1.136 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000294995257 303160770 /nfs/dbraw/zinc/16/07/70/303160770.db2.gz HVSWJEAYZJXSMF-OAHLLOKOSA-N 2 0 333.476 1.648 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)ccc21 ZINC000295196789 303187457 /nfs/dbraw/zinc/18/74/57/303187457.db2.gz YBRDEJWAFUCLAC-GVDBMIGSSA-N 2 0 326.444 1.799 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)CO2 ZINC000295906282 303281976 /nfs/dbraw/zinc/28/19/76/303281976.db2.gz IXDJDXGEMNSZLN-HKUYNNGSSA-N 2 0 347.503 1.860 20 0 EDADRP CCOc1ccc(CN2CCN(C(=O)[C@@H](C)[NH2+]C3CC3)CC2)cc1 ZINC000296489237 303320705 /nfs/dbraw/zinc/32/07/05/303320705.db2.gz QMFWKQRAKIRTEJ-OAHLLOKOSA-N 2 0 331.460 1.870 20 0 EDADRP [NH3+]CCN(CCO)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000417312552 303380799 /nfs/dbraw/zinc/38/07/99/303380799.db2.gz SMXWNGVHHRZYNO-QGZVFWFLSA-N 2 0 334.464 1.004 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(F)F ZINC000417670557 303388296 /nfs/dbraw/zinc/38/82/96/303388296.db2.gz OWNBJFLKTTYUEX-CABCVRRESA-N 2 0 340.418 1.933 20 0 EDADRP C[C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@H](C)N1CCO ZINC000456212398 447329729 /nfs/dbraw/zinc/32/97/29/447329729.db2.gz PBBSXQMTIXNXJW-BETUJISGSA-N 2 0 325.478 1.337 20 0 EDADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1Cl ZINC000414864365 447333286 /nfs/dbraw/zinc/33/32/86/447333286.db2.gz JVPQHIIIVTXRIU-CQSZACIVSA-N 2 0 338.883 1.860 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C)C(C)C ZINC000422098308 447345952 /nfs/dbraw/zinc/34/59/52/447345952.db2.gz BUENOYPDVWLYLF-MRXNPFEDSA-N 2 0 340.512 1.116 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156736 304888775 /nfs/dbraw/zinc/88/87/75/304888775.db2.gz UDWACBMWJLVLKK-HNAWSFBYSA-N 2 0 343.471 1.695 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017255 304925377 /nfs/dbraw/zinc/92/53/77/304925377.db2.gz FUIBAVCGATVVOF-WBVHZDCISA-N 3 0 332.492 1.470 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](Cc3cnc(N(C)C)n3C)CC2)C[C@H](C)O1 ZINC000425322637 304961030 /nfs/dbraw/zinc/96/10/30/304961030.db2.gz HUCAPGIAIITOLW-HOTGVXAUSA-N 2 0 349.523 1.807 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000425494936 304965998 /nfs/dbraw/zinc/96/59/98/304965998.db2.gz RPJCGWUQVIITTK-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000428994719 305021928 /nfs/dbraw/zinc/02/19/28/305021928.db2.gz FWUZBQKEILNYOC-JTDSTZFVSA-N 2 0 348.535 1.392 20 0 EDADRP CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430570251 305056454 /nfs/dbraw/zinc/05/64/54/305056454.db2.gz BNLVQVZLUUIKRA-IBGZPJMESA-N 2 0 349.475 1.769 20 0 EDADRP COc1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624158 305059884 /nfs/dbraw/zinc/05/98/84/305059884.db2.gz IJDZSWRBHJENTA-MRXNPFEDSA-N 2 0 347.459 1.218 20 0 EDADRP COc1cccc(CCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430642912 305060963 /nfs/dbraw/zinc/06/09/63/305060963.db2.gz PZGQNYZCIFMJPG-GOSISDBHSA-N 2 0 345.487 1.772 20 0 EDADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000430746118 305064017 /nfs/dbraw/zinc/06/40/17/305064017.db2.gz BFIOYOSMYXRJDM-QZTJIDSGSA-N 2 0 345.487 1.564 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000430878914 305066693 /nfs/dbraw/zinc/06/66/93/305066693.db2.gz QGVFMULBFCDWGD-CABCVRRESA-N 2 0 332.448 1.450 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCN1CCc2ccccc21 ZINC000431035698 305073326 /nfs/dbraw/zinc/07/33/26/305073326.db2.gz BSTREEXFZKCTRI-UHFFFAOYSA-N 2 0 342.487 1.241 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000431041894 305073577 /nfs/dbraw/zinc/07/35/77/305073577.db2.gz AOCYYRRXOYPAQE-MRXNPFEDSA-N 2 0 329.444 1.702 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000431048381 305073724 /nfs/dbraw/zinc/07/37/24/305073724.db2.gz JULHEIWOSXNGCY-KURKYZTESA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)CN1CC[NH+](CC)CC1 ZINC000431559904 305079500 /nfs/dbraw/zinc/07/95/00/305079500.db2.gz XDUGRKSOOATKHX-ZWKOTPCHSA-N 2 0 338.540 1.641 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000432553907 305093711 /nfs/dbraw/zinc/09/37/11/305093711.db2.gz KAMPSBPXZGDMSG-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP COc1ccc(OCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433110877 305100501 /nfs/dbraw/zinc/10/05/01/305100501.db2.gz CMGGZPBIBGBHIT-UHFFFAOYSA-N 2 0 335.448 1.394 20 0 EDADRP C[C@H](COc1cccc(F)c1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433113889 305100745 /nfs/dbraw/zinc/10/07/45/305100745.db2.gz FSLABLHJDYAMPR-CQSZACIVSA-N 2 0 337.439 1.913 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCC(=O)Nc2cccc(F)c2)CC1 ZINC000433123484 305101030 /nfs/dbraw/zinc/10/10/30/305101030.db2.gz ZHGCJODOJBZYBG-UHFFFAOYSA-N 2 0 336.411 1.084 20 0 EDADRP CN(C[C@H]1COc2ccccc2O1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433124982 305101034 /nfs/dbraw/zinc/10/10/34/305101034.db2.gz HJDIUEGPDRQZNP-INIZCTEOSA-N 2 0 347.459 1.488 20 0 EDADRP Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433159684 305102159 /nfs/dbraw/zinc/10/21/59/305102159.db2.gz SSBFAKKBJDBYDS-CYBMUJFWSA-N 2 0 335.496 1.287 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000433384844 305107225 /nfs/dbraw/zinc/10/72/25/305107225.db2.gz KYNUUWWMAQACKX-MRXNPFEDSA-N 2 0 342.447 1.559 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434684562 305127667 /nfs/dbraw/zinc/12/76/67/305127667.db2.gz LQYZBBFECCXFSI-UKRRQHHQSA-N 2 0 332.448 1.450 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435559895 305142296 /nfs/dbraw/zinc/14/22/96/305142296.db2.gz RNMBQJRRQGWYLF-HNNXBMFYSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000435944692 305149843 /nfs/dbraw/zinc/14/98/43/305149843.db2.gz SVSGTHUOVHDGQD-FGTMMUONSA-N 2 0 336.524 1.488 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436282994 305155316 /nfs/dbraw/zinc/15/53/16/305155316.db2.gz IQIVCFOTTNOPGH-OXQOHEQNSA-N 2 0 343.471 1.972 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440164307 305204008 /nfs/dbraw/zinc/20/40/08/305204008.db2.gz OIARBCHUSDHLAY-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000441268658 305219943 /nfs/dbraw/zinc/21/99/43/305219943.db2.gz YRXVCHHJJLVJBH-FUMNGEBKSA-N 2 0 348.487 1.748 20 0 EDADRP C[C@@H](NC(=O)NC[C@@]1([NH+](C)C)CCSC1)C(C)(C)C[NH+](C)C ZINC000443234291 305237311 /nfs/dbraw/zinc/23/73/11/305237311.db2.gz FLXFNSGWHWZBDH-CJNGLKHVSA-N 2 0 330.542 1.699 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000444371295 305247362 /nfs/dbraw/zinc/24/73/62/305247362.db2.gz GKXKZRBEZTWBHA-QAPCUYQASA-N 2 0 337.508 1.697 20 0 EDADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444588557 305251179 /nfs/dbraw/zinc/25/11/79/305251179.db2.gz DMGCJTZSGKNSEF-IRXDYDNUSA-N 2 0 325.497 1.726 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000444612199 305251708 /nfs/dbraw/zinc/25/17/08/305251708.db2.gz HXJGFLNKYYFAKU-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449071320 305305570 /nfs/dbraw/zinc/30/55/70/305305570.db2.gz AWZCAXMEEWFQNC-FQEVSTJZSA-N 2 0 338.455 1.609 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000449318655 305311253 /nfs/dbraw/zinc/31/12/53/305311253.db2.gz WSOABKZUAPTAEX-QKLQHJQFSA-N 2 0 345.487 1.533 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000449331740 305311678 /nfs/dbraw/zinc/31/16/78/305311678.db2.gz APDIZSBIOJUWRZ-INIZCTEOSA-N 2 0 326.529 1.400 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000449337514 305311946 /nfs/dbraw/zinc/31/19/46/305311946.db2.gz BWTOPZDVKYPMAD-FRFSOERESA-N 2 0 344.459 1.178 20 0 EDADRP O=C(N1CC[NH+](C2CCOCC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449354355 305312235 /nfs/dbraw/zinc/31/22/35/305312235.db2.gz MSSIUFOJZXALMS-HXUWFJFHSA-N 2 0 343.471 1.241 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCOCC1 ZINC000660711094 453539353 /nfs/dbraw/zinc/53/93/53/453539353.db2.gz URHCDEKZJPEXQV-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP CC[C@H](C(=O)N[C@H](CN(C)C(=O)[C@@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000489581598 305564788 /nfs/dbraw/zinc/56/47/88/305564788.db2.gz KCOPXQHQCFNBLJ-BZUAXINKSA-N 2 0 342.528 1.266 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000491646398 305577344 /nfs/dbraw/zinc/57/73/44/305577344.db2.gz USJIMIMTINRLBT-HYXAFXHYSA-N 2 0 337.386 1.217 20 0 EDADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCCOC1 ZINC000507533774 305697440 /nfs/dbraw/zinc/69/74/40/305697440.db2.gz TZUKRZJFXAHRNW-NEWSRXKRSA-N 2 0 347.503 1.680 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])[NH+](C)C)cc1OC ZINC000514848966 305707432 /nfs/dbraw/zinc/70/74/32/305707432.db2.gz HBQFUWLZQOERFD-CQSZACIVSA-N 2 0 338.452 1.297 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414932928 447361761 /nfs/dbraw/zinc/36/17/61/447361761.db2.gz WFDPLFIDSJZMNH-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414931240 447362183 /nfs/dbraw/zinc/36/21/83/447362183.db2.gz UIQDIOXCIPDBFI-OAHLLOKOSA-N 2 0 332.448 1.287 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CCC1 ZINC000527869036 305859451 /nfs/dbraw/zinc/85/94/51/305859451.db2.gz NBWCQBDCDVGZRY-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529378722 305911842 /nfs/dbraw/zinc/91/18/42/305911842.db2.gz UPHFRTYXZGLZGE-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1)N1CC[NH2+]CC1 ZINC000530233599 305935287 /nfs/dbraw/zinc/93/52/87/305935287.db2.gz YIQXSJKWZQNTRS-UHFFFAOYSA-N 2 0 341.459 1.112 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000414944489 447366870 /nfs/dbraw/zinc/36/68/70/447366870.db2.gz OEXCJCDBFWNQGT-CJNGLKHVSA-N 2 0 332.448 1.143 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000535723472 306014975 /nfs/dbraw/zinc/01/49/75/306014975.db2.gz LAZLPNRINXGGLN-RBUKOAKNSA-N 2 0 348.535 1.537 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000535834524 306017969 /nfs/dbraw/zinc/01/79/69/306017969.db2.gz GGENMPLERFKBGB-DLBZAZTESA-N 2 0 327.513 1.706 20 0 EDADRP CCC[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1CCOC ZINC000540927775 306041740 /nfs/dbraw/zinc/04/17/40/306041740.db2.gz CTYPFNUNCQRKOJ-GOSISDBHSA-N 2 0 348.491 1.867 20 0 EDADRP COc1cccc2[nH]cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c21 ZINC000541851504 306047890 /nfs/dbraw/zinc/04/78/90/306047890.db2.gz ZEBFCGUZRXXQAC-UHFFFAOYSA-N 2 0 346.475 1.671 20 0 EDADRP OCCC1CC[NH+](CC2(C[NH+]3CCC(CCO)CC3)COC2)CC1 ZINC000541999329 306050624 /nfs/dbraw/zinc/05/06/24/306050624.db2.gz VRVLREAHEOKSLO-UHFFFAOYSA-N 2 0 340.508 1.192 20 0 EDADRP CN(CCC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1cc[nH+]cc1 ZINC000543712461 306067612 /nfs/dbraw/zinc/06/76/12/306067612.db2.gz VMCOJXXNKKLSEW-UHFFFAOYSA-N 2 0 346.475 1.669 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000414944102 447367822 /nfs/dbraw/zinc/36/78/22/447367822.db2.gz NJLUIYDJYDHATP-CZUORRHYSA-N 2 0 332.448 1.189 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000557135833 306224800 /nfs/dbraw/zinc/22/48/00/306224800.db2.gz SVUXCCGKBKTFGC-FCGDIQPGSA-N 2 0 342.487 1.948 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000557214711 306226506 /nfs/dbraw/zinc/22/65/06/306226506.db2.gz HARFHQNNDRRJSD-SFHVURJKSA-N 2 0 348.491 1.441 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000422142618 447368928 /nfs/dbraw/zinc/36/89/28/447368928.db2.gz ONMIPNNALPUGMK-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP COC[C@@]1(CNCc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC[NH2+]1 ZINC000414949218 447371438 /nfs/dbraw/zinc/37/14/38/447371438.db2.gz ZENDIGHUEYSJAF-KRWDZBQOSA-N 2 0 338.521 1.768 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414954639 447371931 /nfs/dbraw/zinc/37/19/31/447371931.db2.gz LRAYBWVBYPSETI-DYVFJYSZSA-N 2 0 344.459 1.334 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458445450 447372714 /nfs/dbraw/zinc/37/27/14/447372714.db2.gz WICGGVDAWFSCBC-SJORKVTESA-N 2 0 340.512 1.397 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000414964031 447376600 /nfs/dbraw/zinc/37/66/00/447376600.db2.gz LLNYVWILHSVBMN-NVXWUHKLSA-N 2 0 344.459 1.287 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)C(C)C ZINC000419793211 447415002 /nfs/dbraw/zinc/41/50/02/447415002.db2.gz BJNMJVGSEGKJEF-HNNXBMFYSA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415421002 447419126 /nfs/dbraw/zinc/41/91/26/447419126.db2.gz UMBQYASDUTYHTJ-GJZGRUSLSA-N 2 0 346.475 1.663 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000080388561 441167252 /nfs/dbraw/zinc/16/72/52/441167252.db2.gz XQBSWHFPVGCBGM-UHFFFAOYSA-N 2 0 332.492 1.851 20 0 EDADRP CC(C)[NH+](C)CC(=O)Nc1cccc(CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC000101517616 441156311 /nfs/dbraw/zinc/15/63/11/441156311.db2.gz NMZJQRGBAITCEP-UHFFFAOYSA-N 2 0 348.491 1.922 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+](CC)CC)CC1 ZINC000072694617 441251296 /nfs/dbraw/zinc/25/12/96/441251296.db2.gz QRIUNTKCALQCEI-AWEZNQCLSA-N 2 0 342.484 1.043 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000105441185 441255678 /nfs/dbraw/zinc/25/56/78/441255678.db2.gz ZBYBQIGHDXVTPA-HNNXBMFYSA-N 2 0 344.507 1.640 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000073012876 441286298 /nfs/dbraw/zinc/28/62/98/441286298.db2.gz GYMQLZKLUNYRAN-QGZVFWFLSA-N 2 0 330.476 1.116 20 0 EDADRP CC(=O)NCCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865476 441478602 /nfs/dbraw/zinc/47/86/02/441478602.db2.gz MGMPUFXUZLXYGG-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000074616576 441450592 /nfs/dbraw/zinc/45/05/92/441450592.db2.gz WPVNSUFDONMQEW-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000108506544 441458445 /nfs/dbraw/zinc/45/84/45/441458445.db2.gz GEMPXNGAIUPDCQ-INIZCTEOSA-N 2 0 346.475 1.982 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CC[NH+](CC2CC2)C1)Cc1ccccc1 ZINC000108562859 441464115 /nfs/dbraw/zinc/46/41/15/441464115.db2.gz RPXGQLQANRYQBS-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3(CO)COC3)CC2)C[C@H](C)O1 ZINC000089140388 441526846 /nfs/dbraw/zinc/52/68/46/441526846.db2.gz AOQXJNOBHNAEOL-HOTGVXAUSA-N 2 0 326.481 1.207 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(=O)NC)c3)C2)CC1 ZINC000113997732 441631042 /nfs/dbraw/zinc/63/10/42/441631042.db2.gz RJIQGKGBNGBZPD-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137223460 441757381 /nfs/dbraw/zinc/75/73/81/441757381.db2.gz HZDRUSHFRAJKFR-ZBFHGGJFSA-N 2 0 334.464 1.434 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823194 441827445 /nfs/dbraw/zinc/82/74/45/441827445.db2.gz IHRDPYDZMANXIL-IRXDYDNUSA-N 2 0 344.459 1.429 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000077774244 441857144 /nfs/dbraw/zinc/85/71/44/441857144.db2.gz BACGGJBNCJQGKB-SJORKVTESA-N 3 0 341.544 1.384 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@H](C)CCO)CC1 ZINC000093303098 441876371 /nfs/dbraw/zinc/87/63/71/441876371.db2.gz XFJVTTLVLGYVCI-QGZVFWFLSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174723378 441959934 /nfs/dbraw/zinc/95/99/34/441959934.db2.gz UFJZBJWFVLMXFM-KURKYZTESA-N 2 0 338.540 1.639 20 0 EDADRP Cc1csc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000151264527 442034244 /nfs/dbraw/zinc/03/42/44/442034244.db2.gz LBDHBVCRCJNJBN-INIZCTEOSA-N 2 0 338.521 1.857 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1SCCc2ccccc21 ZINC000080061220 442111102 /nfs/dbraw/zinc/11/11/02/442111102.db2.gz PTGDGWVQDRAWSJ-QGZVFWFLSA-N 2 0 335.517 1.969 20 0 EDADRP CC[C@H](C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1)[NH+](C)C ZINC000126402150 442108083 /nfs/dbraw/zinc/10/80/83/442108083.db2.gz XNTPEANOGDTZQN-LJQANCHMSA-N 2 0 346.519 1.781 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000176086769 442173729 /nfs/dbraw/zinc/17/37/29/442173729.db2.gz BKLSLNVGXDATFY-NVXWUHKLSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163795602 442182835 /nfs/dbraw/zinc/18/28/35/442182835.db2.gz OXFPZUSAHNKVNK-RVKKMQEKSA-N 2 0 333.476 1.972 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120968373 442159280 /nfs/dbraw/zinc/15/92/80/442159280.db2.gz FEELTYLXFXPDFQ-LJQANCHMSA-N 2 0 345.487 1.914 20 0 EDADRP Cc1c(C(=O)N[C@H](C)C[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000165032940 442206012 /nfs/dbraw/zinc/20/60/12/442206012.db2.gz HTBRWHAIBDZAOH-CYBMUJFWSA-N 2 0 334.468 1.115 20 0 EDADRP CN(CC[NH+](C)C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000176390040 442217059 /nfs/dbraw/zinc/21/70/59/442217059.db2.gz YGQRAEJXQLISRI-UHFFFAOYSA-N 2 0 332.492 1.609 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246606 442255095 /nfs/dbraw/zinc/25/50/95/442255095.db2.gz APRPGVJQVJOISA-SFHVURJKSA-N 2 0 336.524 1.537 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000153700486 442297666 /nfs/dbraw/zinc/29/76/66/442297666.db2.gz SRAOOEWMWDNZKM-INIZCTEOSA-N 2 0 342.528 1.451 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000171198235 442326201 /nfs/dbraw/zinc/32/62/01/442326201.db2.gz SWXVKSKEXFHPCQ-INIZCTEOSA-N 2 0 348.491 1.311 20 0 EDADRP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C12CCC2 ZINC000153970747 442314018 /nfs/dbraw/zinc/31/40/18/442314018.db2.gz HOUDEZMWJANDKA-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171632425 442364936 /nfs/dbraw/zinc/36/49/36/442364936.db2.gz URRCDQYGQLDMGD-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)c1cnn(C)c1 ZINC000155167571 442378983 /nfs/dbraw/zinc/37/89/83/442378983.db2.gz AONFSECUSDGCEC-MRXNPFEDSA-N 2 0 344.459 1.982 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000177870229 442392480 /nfs/dbraw/zinc/39/24/80/442392480.db2.gz QZGMHSYULGZYRS-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc([S@](C)=O)c1 ZINC000132383741 442392541 /nfs/dbraw/zinc/39/25/41/442392541.db2.gz SNAQVINRZAXTMX-HSZRJFAPSA-N 2 0 340.493 1.381 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000155434417 442398140 /nfs/dbraw/zinc/39/81/40/442398140.db2.gz MVXHWTAYHBNBNX-OAHLLOKOSA-N 2 0 329.510 1.041 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000156287111 442463786 /nfs/dbraw/zinc/46/37/86/442463786.db2.gz HGJMCJGBJRWEQR-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CC[C@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960586 442538331 /nfs/dbraw/zinc/53/83/31/442538331.db2.gz RKHVRLSECXAKPF-ZWKOTPCHSA-N 2 0 333.476 1.899 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000178999359 442549137 /nfs/dbraw/zinc/54/91/37/442549137.db2.gz NIUNAXWRFFFQQR-QGZVFWFLSA-N 2 0 329.485 1.536 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000180363595 442587242 /nfs/dbraw/zinc/58/72/42/442587242.db2.gz IXFRRFQBZYWKCZ-UHFFFAOYSA-N 2 0 346.475 1.676 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)CC1 ZINC000135454951 442597679 /nfs/dbraw/zinc/59/76/79/442597679.db2.gz ULPPMGCBTFTTAW-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC2OCCO2)CC1 ZINC000180248390 442565717 /nfs/dbraw/zinc/56/57/17/442565717.db2.gz QARSDHXHKOFNFV-AWEZNQCLSA-N 2 0 337.439 1.991 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000136314585 442659135 /nfs/dbraw/zinc/65/91/35/442659135.db2.gz HSKXOYNESIOIQB-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP Cn1c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc2sc1=O ZINC000192576375 442665040 /nfs/dbraw/zinc/66/50/40/442665040.db2.gz JVYMKOCUSPIEJC-HNNXBMFYSA-N 2 0 349.500 1.927 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000193503427 442749201 /nfs/dbraw/zinc/74/92/01/442749201.db2.gz CBJHUZFMGSSDFD-MAUKXSAKSA-N 2 0 330.476 1.304 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000181739444 442713831 /nfs/dbraw/zinc/71/38/31/442713831.db2.gz RELYVLQXPXCVKS-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000267987441 442807825 /nfs/dbraw/zinc/80/78/25/442807825.db2.gz PPWDGDDLDYCDQU-MSOLQXFVSA-N 2 0 335.492 1.632 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000246538493 442790919 /nfs/dbraw/zinc/79/09/19/442790919.db2.gz SHOHGMORLHKFCB-XYTVBORESA-N 2 0 335.492 1.619 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000188694855 442791162 /nfs/dbraw/zinc/79/11/62/442791162.db2.gz YMZOIZIMQFDAQM-UAGQMJEPSA-N 2 0 335.423 1.648 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCC(=O)c2ccc(F)cc2)CC1 ZINC000182625028 442797678 /nfs/dbraw/zinc/79/76/78/442797678.db2.gz FKPBPUWVFJBPDJ-UHFFFAOYSA-N 2 0 349.450 1.788 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000246396641 442778870 /nfs/dbraw/zinc/77/88/70/442778870.db2.gz JJVMINGSSOQWNV-GOEBONIOSA-N 2 0 326.485 1.125 20 0 EDADRP C[NH+]1CCC[C@H]2CN(CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246931119 442822363 /nfs/dbraw/zinc/82/23/63/442822363.db2.gz NGNGBRYVSBWSEJ-JVSBHGNQSA-N 2 0 334.552 1.819 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000193999961 442826166 /nfs/dbraw/zinc/82/61/66/442826166.db2.gz XVCGTVNLGAANEU-FGTMMUONSA-N 2 0 342.487 1.881 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000247279263 442845383 /nfs/dbraw/zinc/84/53/83/442845383.db2.gz SQJLKLDTRLVTLY-QZTJIDSGSA-N 2 0 331.460 1.345 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000179158396 318454077 /nfs/dbraw/zinc/45/40/77/318454077.db2.gz RRCFTBLLOPUHAP-ZWKOTPCHSA-N 2 0 339.524 1.850 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccn1 ZINC000183144906 442888507 /nfs/dbraw/zinc/88/85/07/442888507.db2.gz SUOGHVFXHYVQQZ-UHFFFAOYSA-N 2 0 334.464 1.484 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000248906370 442937657 /nfs/dbraw/zinc/93/76/57/442937657.db2.gz BHBAYKPSNCYTQY-HZPDHXFCSA-N 2 0 342.528 1.356 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000249030726 442945294 /nfs/dbraw/zinc/94/52/94/442945294.db2.gz LYYKEVHNEYAGSZ-QKPAOTATSA-N 2 0 325.497 1.708 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)csc2=O)[C@@H](C)C1 ZINC000249439274 442974958 /nfs/dbraw/zinc/97/49/58/442974958.db2.gz LRXVRRMFMAYHDI-HOCLYGCPSA-N 2 0 341.521 1.945 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)NC1CC[NH+](C2CCCC2)CC1 ZINC000189696354 442995421 /nfs/dbraw/zinc/99/54/21/442995421.db2.gz PWDHTPUDBJNJRP-UHFFFAOYSA-N 2 0 329.510 1.409 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CCC(CO)CC1)c1ccccc1 ZINC000184605576 443047836 /nfs/dbraw/zinc/04/78/36/443047836.db2.gz BPISKADGBNVFES-NKELODKYSA-N 2 0 347.503 1.888 20 0 EDADRP CNC(=O)NC(=O)CNC1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000184744880 443071004 /nfs/dbraw/zinc/07/10/04/443071004.db2.gz WNBQLTZJEJYQPS-VMZNBEPHSA-N 2 0 332.448 1.188 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261767104 443169057 /nfs/dbraw/zinc/16/90/57/443169057.db2.gz FNOHOKVWEDUGPA-HLLBOEOZSA-N 2 0 325.497 1.615 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cn1 ZINC000190747432 443175275 /nfs/dbraw/zinc/17/52/75/443175275.db2.gz GLOLFVKESWKCDT-UHFFFAOYSA-N 2 0 349.523 1.280 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000262016577 443180038 /nfs/dbraw/zinc/18/00/38/443180038.db2.gz MUUKYWWCHRVCEB-INIZCTEOSA-N 2 0 342.443 1.760 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000237720627 443180503 /nfs/dbraw/zinc/18/05/03/443180503.db2.gz XZVNFSUKVCSYFS-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP O=C(CC[N@@H+](Cc1ccccc1)C[C@@H]1CCCO1)N1CC[NH2+]CC1 ZINC000262051515 443181304 /nfs/dbraw/zinc/18/13/04/443181304.db2.gz IJKRAJAZBZRRGD-SFHVURJKSA-N 2 0 331.460 1.490 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000237930905 443189183 /nfs/dbraw/zinc/18/91/83/443189183.db2.gz OMNAVWJXXZCIHM-HUUCEWRRSA-N 2 0 337.489 1.770 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccco1)N(C)C ZINC000266723248 443219205 /nfs/dbraw/zinc/21/92/05/443219205.db2.gz UEJSVFYUTCHHAZ-AWEZNQCLSA-N 2 0 326.441 1.150 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000269223718 443238620 /nfs/dbraw/zinc/23/86/20/443238620.db2.gz BQFAMXIQAVWPKW-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000266705008 443214232 /nfs/dbraw/zinc/21/42/32/443214232.db2.gz PCTDQLYQPFHPJG-QGZVFWFLSA-N 2 0 336.480 1.557 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000387536483 319131847 /nfs/dbraw/zinc/13/18/47/319131847.db2.gz LGKPXLYUSLPQSR-CVEARBPZSA-N 2 0 326.529 1.399 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC[NH+]2CCCC2)ccc1C[NH+](C)C ZINC000411399164 319182368 /nfs/dbraw/zinc/18/23/68/319182368.db2.gz LCMIOSQFUARFEN-UHFFFAOYSA-N 2 0 346.475 1.549 20 0 EDADRP CC(C)(CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000414659884 319337812 /nfs/dbraw/zinc/33/78/12/319337812.db2.gz NNAXCQSXMFBWMU-UHFFFAOYSA-N 2 0 344.459 1.609 20 0 EDADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687968 319342638 /nfs/dbraw/zinc/34/26/38/319342638.db2.gz CIQYFTJMRLKLNS-NUJGCVRESA-N 2 0 331.460 1.646 20 0 EDADRP Cn1c2ccc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2sc1=O ZINC000414777244 319343739 /nfs/dbraw/zinc/34/37/39/319343739.db2.gz HVKXJSKKTLDYJQ-AWEZNQCLSA-N 2 0 347.484 1.787 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000414993893 319344537 /nfs/dbraw/zinc/34/45/37/319344537.db2.gz UUMMBYHBUDVBMK-INIZCTEOSA-N 2 0 346.475 1.439 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC[NH3+] ZINC000415237005 319355332 /nfs/dbraw/zinc/35/53/32/319355332.db2.gz HFTVZBONCORHKH-UHFFFAOYSA-N 2 0 335.452 1.307 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)C[NH3+] ZINC000415242300 319355994 /nfs/dbraw/zinc/35/59/94/319355994.db2.gz ULTXEAYKNHJRMS-CYBMUJFWSA-N 2 0 335.452 1.306 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000415940109 319383543 /nfs/dbraw/zinc/38/35/43/319383543.db2.gz RXNUWAMLRSIVHK-UHFFFAOYSA-N 2 0 336.436 1.256 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000415937648 319383866 /nfs/dbraw/zinc/38/38/66/319383866.db2.gz YRUGXCMSVATPQJ-HOTGVXAUSA-N 2 0 334.464 1.979 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415990895 319387728 /nfs/dbraw/zinc/38/77/28/319387728.db2.gz DSPBXZZNAZKSKW-YVECIDJPSA-N 2 0 338.418 1.932 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)Nc2ncccc2C[NH3+])cc1 ZINC000415991188 319387910 /nfs/dbraw/zinc/38/79/10/319387910.db2.gz VHKQRLIXCZBLFR-MRXNPFEDSA-N 2 0 343.431 1.973 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)Nc2ncccc2C[NH3+])c1 ZINC000416000322 319388641 /nfs/dbraw/zinc/38/86/41/319388641.db2.gz XBTMTZMKBKPOGJ-UHFFFAOYSA-N 2 0 343.431 1.802 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000416166710 319396336 /nfs/dbraw/zinc/39/63/36/319396336.db2.gz NQGNEEMJOJCJCZ-SFHVURJKSA-N 2 0 331.460 1.224 20 0 EDADRP C[NH2+]CCCC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269298722 443271853 /nfs/dbraw/zinc/27/18/53/443271853.db2.gz PDYNAGBLHBIYSI-UHFFFAOYSA-N 2 0 346.519 1.700 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000269313226 443278388 /nfs/dbraw/zinc/27/83/88/443278388.db2.gz XRAQJHPUHTZBBM-HUUCEWRRSA-N 2 0 346.475 1.903 20 0 EDADRP COCC1=CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000185851185 443269358 /nfs/dbraw/zinc/26/93/58/443269358.db2.gz KRBFVTIXPAWZGW-GOSISDBHSA-N 2 0 331.460 1.684 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416810361 319462348 /nfs/dbraw/zinc/46/23/48/319462348.db2.gz BQGMIKULKQZSSC-DOTOQJQBSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000416815862 319463384 /nfs/dbraw/zinc/46/33/84/319463384.db2.gz OKZVCDKUMULNSQ-OBJOEFQTSA-N 2 0 338.452 1.341 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)c1 ZINC000416852734 319466954 /nfs/dbraw/zinc/46/69/54/319466954.db2.gz MWSWSQLGSFVYIV-PBHICJAKSA-N 2 0 334.464 1.869 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416943575 319481102 /nfs/dbraw/zinc/48/11/02/319481102.db2.gz CIUYSGMDFBHAIE-IAGOWNOFSA-N 2 0 340.512 1.565 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416952786 319483928 /nfs/dbraw/zinc/48/39/28/319483928.db2.gz JONYOTQLCTWVKD-INIZCTEOSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417368071 319494718 /nfs/dbraw/zinc/49/47/18/319494718.db2.gz QMMPOOLOBWAOGC-SJORKVTESA-N 2 0 346.475 1.663 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417370168 319495191 /nfs/dbraw/zinc/49/51/91/319495191.db2.gz TVXJEXDHLDFXLJ-ZBFHGGJFSA-N 2 0 334.464 1.567 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418441930 319501571 /nfs/dbraw/zinc/50/15/71/319501571.db2.gz CZWSINPODJGNTI-IRXDYDNUSA-N 2 0 334.464 1.439 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000264767180 443415270 /nfs/dbraw/zinc/41/52/70/443415270.db2.gz UVZFCUGVFFGLGR-MSOLQXFVSA-N 2 0 330.476 1.013 20 0 EDADRP Cc1cc(C)cc(OCC(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420381063 319612990 /nfs/dbraw/zinc/61/29/90/319612990.db2.gz XIXRYAZMDWXAIY-GOSISDBHSA-N 2 0 345.487 1.826 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC([NH+](C)C)C3)c(C)c2)CC1 ZINC000272910466 443486396 /nfs/dbraw/zinc/48/63/96/443486396.db2.gz COSPCCNKNOHCCT-UHFFFAOYSA-N 2 0 345.491 1.915 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000423126335 319751537 /nfs/dbraw/zinc/75/15/37/319751537.db2.gz IPCOXFOGTCQMRJ-HZPDHXFCSA-N 2 0 340.512 1.022 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000271381849 443502959 /nfs/dbraw/zinc/50/29/59/443502959.db2.gz GCERDWQQKYUAPV-ZFWWWQNUSA-N 2 0 339.447 1.698 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423307616 319762902 /nfs/dbraw/zinc/76/29/02/319762902.db2.gz HMBHCNBTLHQTQG-HNNXBMFYSA-N 2 0 341.459 1.868 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000423403905 319771766 /nfs/dbraw/zinc/77/17/66/319771766.db2.gz XKKPRCOKIWXILU-APWZRJJASA-N 2 0 344.503 1.935 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2c(Br)cccc21 ZINC000423423126 319774369 /nfs/dbraw/zinc/77/43/69/319774369.db2.gz KUBDRJHMOGVCSY-WKPIXPDZSA-N 2 0 325.250 1.996 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423447087 319776462 /nfs/dbraw/zinc/77/64/62/319776462.db2.gz ZGDYAPLPQINLRS-LRDDRELGSA-N 2 0 325.478 1.819 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000273161666 443554326 /nfs/dbraw/zinc/55/43/26/443554326.db2.gz BRZFGSBGSOKHEC-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449366455 320185156 /nfs/dbraw/zinc/18/51/56/320185156.db2.gz WJDIGVNZEUTSKI-MUQADHOPSA-N 2 0 337.508 1.580 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H]4C[NH2+]C[C@H]43)c2)CC1 ZINC000449732327 320202783 /nfs/dbraw/zinc/20/27/83/320202783.db2.gz LGZOGUOXYHWEMW-RBUKOAKNSA-N 2 0 342.487 1.258 20 0 EDADRP C[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)[C@@H](C)O1 ZINC000451146341 320226219 /nfs/dbraw/zinc/22/62/19/320226219.db2.gz LBFJAJLAXNQRRC-LMSBXDPUSA-N 2 0 333.476 1.431 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280128766 443669440 /nfs/dbraw/zinc/66/94/40/443669440.db2.gz CZZYZUPIQFQSBQ-UHFFFAOYSA-N 2 0 348.882 1.648 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000453641404 320266035 /nfs/dbraw/zinc/26/60/35/320266035.db2.gz VDOXDUNBGBNWKX-NVXWUHKLSA-N 2 0 344.459 1.337 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CCCO1 ZINC000457747167 320334719 /nfs/dbraw/zinc/33/47/19/320334719.db2.gz DOCKPEDLRGPEBT-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457753751 320335274 /nfs/dbraw/zinc/33/52/74/320335274.db2.gz NVXCCUYBAZJAOT-HNNXBMFYSA-N 2 0 337.508 1.555 20 0 EDADRP C[NH+](C)CCN(C(=O)NCC[N@@H+]1CCCOCC1)C1CCCC1 ZINC000458851065 320342979 /nfs/dbraw/zinc/34/29/79/320342979.db2.gz USUMOBDUTLFMTB-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCOCC[NH+](C)C ZINC000471631986 320352855 /nfs/dbraw/zinc/35/28/55/320352855.db2.gz ADABMHCYZCTEOV-AEFFLSMTSA-N 2 0 348.491 1.384 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccncc2)s1 ZINC000530880688 320641846 /nfs/dbraw/zinc/64/18/46/320641846.db2.gz NVYAHSNSUSAAAP-UHFFFAOYSA-N 2 0 347.488 1.771 20 0 EDADRP CC(C)[C@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292946423 443885906 /nfs/dbraw/zinc/88/59/06/443885906.db2.gz ADNCONXQFKHUAU-WOJBJXKFSA-N 2 0 331.504 1.895 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)ccn1 ZINC000277379718 443970996 /nfs/dbraw/zinc/97/09/96/443970996.db2.gz WELSOADYCLHDHW-INIZCTEOSA-N 2 0 334.464 1.578 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CC1CC(OC(C)(C)C)C1 ZINC000555551758 320970197 /nfs/dbraw/zinc/97/01/97/320970197.db2.gz ORNZIIKQLASPDW-UHFFFAOYSA-N 2 0 327.513 1.922 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000561134794 321034436 /nfs/dbraw/zinc/03/44/36/321034436.db2.gz MPNTXADVEUZMEP-KRWDZBQOSA-N 2 0 334.439 1.841 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000561178704 321035239 /nfs/dbraw/zinc/03/52/39/321035239.db2.gz SROSYIJCKNRZNU-LPHOPBHVSA-N 2 0 343.475 1.131 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000561178708 321035336 /nfs/dbraw/zinc/03/53/36/321035336.db2.gz SROSYIJCKNRZNU-VQIMIIECSA-N 2 0 343.475 1.131 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000562810246 321077501 /nfs/dbraw/zinc/07/75/01/321077501.db2.gz BWORGNZBCRLRLM-RYRKJORJSA-N 2 0 347.507 1.271 20 0 EDADRP COC[C@@]1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]1 ZINC000562816224 321078318 /nfs/dbraw/zinc/07/83/18/321078318.db2.gz PKVHRURSULXKGY-SFHVURJKSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000562993722 321086830 /nfs/dbraw/zinc/08/68/30/321086830.db2.gz MQVZVDRFXUAZLB-RTBURBONSA-N 2 0 349.519 1.598 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCCC[NH2+]Cc2cccnc2)C1(C)C ZINC000563106139 321096361 /nfs/dbraw/zinc/09/63/61/321096361.db2.gz XPMJXBSTGATKKA-MAUKXSAKSA-N 2 0 334.464 1.210 20 0 EDADRP CNC(=O)CCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000564465531 321133666 /nfs/dbraw/zinc/13/36/66/321133666.db2.gz PQFKELMXFHHKGD-UHFFFAOYSA-N 2 0 348.491 1.275 20 0 EDADRP CN(CCC[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000564669286 321141128 /nfs/dbraw/zinc/14/11/28/321141128.db2.gz CORXTYZGNFNNOM-UHFFFAOYSA-N 2 0 346.475 1.096 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2([NH3+])CCC2)CC1 ZINC000564910695 321155750 /nfs/dbraw/zinc/15/57/50/321155750.db2.gz LDMUYWMPUWDDRU-UHFFFAOYSA-N 2 0 330.476 1.322 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000565041621 321165909 /nfs/dbraw/zinc/16/59/09/321165909.db2.gz WLSHIUZXCYNXFG-SFHVURJKSA-N 2 0 330.476 1.016 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000565670273 321196894 /nfs/dbraw/zinc/19/68/94/321196894.db2.gz INVUMXLCKWISIH-CQSZACIVSA-N 2 0 342.447 1.864 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)s1 ZINC000567647084 321250614 /nfs/dbraw/zinc/25/06/14/321250614.db2.gz SGWHDLYMSYBATD-WCQYABFASA-N 2 0 331.507 1.313 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@](C)(O)C3CC3)CC2)CC1 ZINC000568200891 321279958 /nfs/dbraw/zinc/27/99/58/321279958.db2.gz CFLQUJTVHCSBKG-IBGZPJMESA-N 2 0 337.508 1.460 20 0 EDADRP COCc1ccccc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000570209524 321340771 /nfs/dbraw/zinc/34/07/71/321340771.db2.gz OCELVWUALPSIIB-UHFFFAOYSA-N 2 0 336.480 1.468 20 0 EDADRP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570544864 321346757 /nfs/dbraw/zinc/34/67/57/321346757.db2.gz OJSYYSJBWOOHID-QZTJIDSGSA-N 2 0 347.507 1.679 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCCN(c3ccccc3F)C2)[C@@H](C[NH3+])C1 ZINC000570550122 321347185 /nfs/dbraw/zinc/34/71/85/321347185.db2.gz YVGIDYRMAUIAIJ-CABCVRRESA-N 2 0 349.454 1.079 20 0 EDADRP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000571627810 321394235 /nfs/dbraw/zinc/39/42/35/321394235.db2.gz PRFTTWNRRJOSGA-SFHVURJKSA-N 2 0 335.423 1.396 20 0 EDADRP CCn1ccnc1CN(C(=O)C1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000572723189 321437230 /nfs/dbraw/zinc/43/72/30/321437230.db2.gz FCPMIWMNJRZNEQ-MRXNPFEDSA-N 2 0 345.491 1.373 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289444803 444145330 /nfs/dbraw/zinc/14/53/30/444145330.db2.gz ORZPMLJJMQSLGX-GOSISDBHSA-N 2 0 337.508 1.550 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327678 444148855 /nfs/dbraw/zinc/14/88/55/444148855.db2.gz FNARJBIWZDSXBV-VXNCWWDNSA-N 2 0 345.487 1.985 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1(C[NH3+])CC1 ZINC000574569134 321490125 /nfs/dbraw/zinc/49/01/25/321490125.db2.gz IKAVLHJLVWVJAH-MRXNPFEDSA-N 2 0 330.476 1.442 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000574622574 321492282 /nfs/dbraw/zinc/49/22/82/321492282.db2.gz KDTYYFRDHKZQSO-UYAOXDASSA-N 2 0 344.503 1.944 20 0 EDADRP CCCN(C(=O)[C@@H](C[NH3+])OC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000289903861 444217703 /nfs/dbraw/zinc/21/77/03/444217703.db2.gz JFTRSFOGIBEKFW-ZWKOTPCHSA-N 2 0 333.476 1.863 20 0 EDADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCO1 ZINC000575117900 321515654 /nfs/dbraw/zinc/51/56/54/321515654.db2.gz OUXDXTVPBGJBNR-BZSNNMDCSA-N 2 0 327.513 1.168 20 0 EDADRP COCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295749621 444192555 /nfs/dbraw/zinc/19/25/55/444192555.db2.gz NPLBPNFOQMWXHD-BHIYHBOVSA-N 2 0 336.476 1.511 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289742104 444197352 /nfs/dbraw/zinc/19/73/52/444197352.db2.gz HEUYASCBTCNISM-QZTJIDSGSA-N 2 0 330.476 1.186 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000305223424 444266212 /nfs/dbraw/zinc/26/62/12/444266212.db2.gz UVVPZUWNGPQHTL-QZTJIDSGSA-N 2 0 333.476 1.327 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000303984229 444238709 /nfs/dbraw/zinc/23/87/09/444238709.db2.gz HPGGTJUKOBKUDA-SJORKVTESA-N 2 0 340.512 1.110 20 0 EDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000317142946 444314100 /nfs/dbraw/zinc/31/41/00/444314100.db2.gz FNNAMMHSBUTJHG-OAHLLOKOSA-N 2 0 329.466 1.018 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000577748786 321679929 /nfs/dbraw/zinc/67/99/29/321679929.db2.gz QTHIYCFYYSSLTP-PKOBYXMFSA-N 2 0 345.487 1.833 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000578316238 321755265 /nfs/dbraw/zinc/75/52/65/321755265.db2.gz SOZCNDSFVFWORU-QZTJIDSGSA-N 2 0 335.492 1.208 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000298065172 444403574 /nfs/dbraw/zinc/40/35/74/444403574.db2.gz JCWXKVZWAPZYHN-OAHLLOKOSA-N 2 0 343.431 1.654 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000579214317 321900869 /nfs/dbraw/zinc/90/08/69/321900869.db2.gz OONJKKNLURNTNF-DLBZAZTESA-N 2 0 332.448 1.111 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000579453490 321936283 /nfs/dbraw/zinc/93/62/83/321936283.db2.gz HIUYKVGTFARDKI-UHFFFAOYSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000332035411 444497216 /nfs/dbraw/zinc/49/72/16/444497216.db2.gz ZWBKFGBBEQXIGD-ICUGJSFKSA-N 2 0 337.508 1.445 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000332035984 444497436 /nfs/dbraw/zinc/49/74/36/444497436.db2.gz ULOUJDWFSJEPQI-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000580439510 322052093 /nfs/dbraw/zinc/05/20/93/322052093.db2.gz IDLXLYMEXPBPRN-OAHLLOKOSA-N 2 0 333.432 1.003 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000580711579 322085929 /nfs/dbraw/zinc/08/59/29/322085929.db2.gz IHJRLZBEKZSPRL-QXAKKESOSA-N 2 0 344.503 1.479 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000580828742 322100350 /nfs/dbraw/zinc/10/03/50/322100350.db2.gz KBBMGSXBQNRKIS-BPQIPLTHSA-N 2 0 333.476 1.328 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000580832248 322101352 /nfs/dbraw/zinc/10/13/52/322101352.db2.gz USNFMBPOHSMZHV-BVIKNXMNSA-N 2 0 328.460 1.642 20 0 EDADRP c1sc(-c2ccc3c(c2)OCO3)nc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000580880439 322106995 /nfs/dbraw/zinc/10/69/95/322106995.db2.gz PCENILFRJRTDGX-UHFFFAOYSA-N 2 0 346.456 1.534 20 0 EDADRP CN(C)C(=O)CCC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000581200339 322148744 /nfs/dbraw/zinc/14/87/44/322148744.db2.gz DLUPXMLZGCOFJM-UHFFFAOYSA-N 2 0 346.519 1.604 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000581225662 322150650 /nfs/dbraw/zinc/15/06/50/322150650.db2.gz CRLBPSXFPOLSAS-UHFFFAOYSA-N 2 0 339.524 1.458 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC000581424914 322175784 /nfs/dbraw/zinc/17/57/84/322175784.db2.gz NSMYDTABPDBYKQ-PKOBYXMFSA-N 2 0 349.519 1.598 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](O)C[C@@H]2C)CC1 ZINC000340916641 444574822 /nfs/dbraw/zinc/57/48/22/444574822.db2.gz UCYMTHALDKHFSG-HKUYNNGSSA-N 2 0 345.487 1.484 20 0 EDADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343718252 444542901 /nfs/dbraw/zinc/54/29/01/444542901.db2.gz UAHQINKOXJCPLO-IAGOWNOFSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCSCC1 ZINC000343730295 444550311 /nfs/dbraw/zinc/55/03/11/444550311.db2.gz XSRFBMFJQDVNNW-MRXNPFEDSA-N 2 0 344.569 1.156 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000343796098 444596858 /nfs/dbraw/zinc/59/68/58/444596858.db2.gz VWQVXHHHEZWFGN-NPYXIHBLSA-N 2 0 329.444 1.220 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000338300622 444618617 /nfs/dbraw/zinc/61/86/17/444618617.db2.gz CPFWUCMFLMISDY-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333495610 444676317 /nfs/dbraw/zinc/67/63/17/444676317.db2.gz DTDGHZMVOMEBFV-ZSYWTGECSA-N 2 0 342.487 1.773 20 0 EDADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C(C)(C)n1cncn1 ZINC000333046610 444634305 /nfs/dbraw/zinc/63/43/05/444634305.db2.gz ADYXTJCECUHMQW-USXIJHARSA-N 2 0 335.496 1.759 20 0 EDADRP C[NH+](C)CCOc1cnccc1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000343981258 444707765 /nfs/dbraw/zinc/70/77/65/444707765.db2.gz KCIGQSUVJMYBJI-UHFFFAOYSA-N 2 0 342.434 1.841 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341189334 444718220 /nfs/dbraw/zinc/71/82/20/444718220.db2.gz LUAYAEWTPVLHHW-UHFFFAOYSA-N 2 0 333.476 1.927 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C ZINC000341253221 444749527 /nfs/dbraw/zinc/74/95/27/444749527.db2.gz ARDOTUSGVVDZQN-NVXWUHKLSA-N 2 0 332.448 1.823 20 0 EDADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CCN(C(N)=O)CC3)cc2)CC1 ZINC000341263536 444753236 /nfs/dbraw/zinc/75/32/36/444753236.db2.gz XNXVCLSGCWBWIZ-UHFFFAOYSA-N 2 0 346.475 1.792 20 0 EDADRP C[C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)[C@@H]1C ZINC000344054541 444753566 /nfs/dbraw/zinc/75/35/66/444753566.db2.gz JCUREKSRPYDARF-KURKYZTESA-N 2 0 340.556 1.743 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857638 444805643 /nfs/dbraw/zinc/80/56/43/444805643.db2.gz UCJWJVXANLRGOC-PMPSAXMXSA-N 2 0 331.526 1.463 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000342766560 444855816 /nfs/dbraw/zinc/85/58/16/444855816.db2.gz VYSJULDYSBWYQO-GOEBONIOSA-N 2 0 344.459 1.322 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CSC1(C)C ZINC000338812439 444864490 /nfs/dbraw/zinc/86/44/90/444864490.db2.gz UGJYUANTNCJXPL-CQSZACIVSA-N 2 0 330.542 1.795 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)cn1 ZINC000336957044 444873951 /nfs/dbraw/zinc/87/39/51/444873951.db2.gz WVMIJBOJRKUDDH-INIZCTEOSA-N 2 0 335.496 1.952 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000344293751 444884192 /nfs/dbraw/zinc/88/41/92/444884192.db2.gz PECNRWXFFOXDMZ-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1CC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000344524374 445032985 /nfs/dbraw/zinc/03/29/85/445032985.db2.gz JRBDSEDERHNHGP-NVXWUHKLSA-N 2 0 331.464 1.691 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000343020658 445009553 /nfs/dbraw/zinc/00/95/53/445009553.db2.gz UUXPYSRCDGUEHV-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000344548958 445052074 /nfs/dbraw/zinc/05/20/74/445052074.db2.gz OHSJPXMCIFDTNK-GVDBMIGSSA-N 2 0 338.496 1.005 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1CCC1)Cc1ccccc1 ZINC000337385269 445058394 /nfs/dbraw/zinc/05/83/94/445058394.db2.gz HHFFJTNQWCYSHP-SFHVURJKSA-N 2 0 332.492 1.944 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000341899681 445060571 /nfs/dbraw/zinc/06/05/71/445060571.db2.gz JDVJFQLYZXFBHW-ZJPYXAASSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105671 445070271 /nfs/dbraw/zinc/07/02/71/445070271.db2.gz HWFNWUPKQSIMJR-NZSAHSFTSA-N 2 0 345.487 1.591 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC[C@H](C)C2)C1 ZINC000337354568 445044888 /nfs/dbraw/zinc/04/48/88/445044888.db2.gz AOAGUAFOROPSBP-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP CO[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000344922623 445149235 /nfs/dbraw/zinc/14/92/35/445149235.db2.gz SBQUIILXBVQFEU-BPQIPLTHSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C[C@@H](C)C1 ZINC000346173144 445207234 /nfs/dbraw/zinc/20/72/34/445207234.db2.gz CIZYYLGAPUVVKA-PBWTXFEYSA-N 2 0 349.519 1.819 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343407667 445217008 /nfs/dbraw/zinc/21/70/08/445217008.db2.gz PTVVCKCANMKBJI-MJGOQNOKSA-N 2 0 349.523 1.361 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCC[N@@H+]1C ZINC000345745560 445198252 /nfs/dbraw/zinc/19/82/52/445198252.db2.gz KYCAYURIKQVLEP-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000347047083 445230373 /nfs/dbraw/zinc/23/03/73/445230373.db2.gz QWNXSAIJZJNQMZ-JYJNAYRXSA-N 2 0 326.485 1.269 20 0 EDADRP CCC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347879266 445253032 /nfs/dbraw/zinc/25/30/32/445253032.db2.gz UGQCJWUATDASQF-KBAYOESNSA-N 2 0 349.523 1.992 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000347890735 445253777 /nfs/dbraw/zinc/25/37/77/445253777.db2.gz AVMYCQXIVGQXGG-MAUKXSAKSA-N 2 0 335.496 1.602 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000348105164 445269484 /nfs/dbraw/zinc/26/94/84/445269484.db2.gz DYAPZVYOQWLEMV-BHYGNILZSA-N 2 0 338.496 1.364 20 0 EDADRP CCS[C@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348534263 445317724 /nfs/dbraw/zinc/31/77/24/445317724.db2.gz PIMWFFAFZPLXOL-HOTGVXAUSA-N 2 0 325.522 1.993 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)C[NH+](C)C ZINC000348411636 445281474 /nfs/dbraw/zinc/28/14/74/445281474.db2.gz ZUOHBQNORYYZRB-OAHLLOKOSA-N 2 0 333.480 1.818 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[N@H+](C)C1 ZINC000348434594 445289768 /nfs/dbraw/zinc/28/97/68/445289768.db2.gz JZQGWDAFKYYQGL-BHUNQDJPSA-N 2 0 338.496 1.364 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncncc1Cl ZINC000348631746 445339750 /nfs/dbraw/zinc/33/97/50/445339750.db2.gz HQBPIBMXJJYEGS-ZDUSSCGKSA-N 2 0 339.871 1.618 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848479 445341844 /nfs/dbraw/zinc/34/18/44/445341844.db2.gz DFNRWRQDKOOHDJ-RYUDHWBXSA-N 2 0 348.838 1.528 20 0 EDADRP Cc1nccn1CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000348756965 445363929 /nfs/dbraw/zinc/36/39/29/445363929.db2.gz RNCGFGWBZCPJLO-IRXDYDNUSA-N 2 0 333.480 1.162 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000351968871 445407357 /nfs/dbraw/zinc/40/73/57/445407357.db2.gz SWNVCYPZMFAZFE-GOEBONIOSA-N 2 0 326.485 1.079 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000359779075 445424807 /nfs/dbraw/zinc/42/48/07/445424807.db2.gz UBSUCVXZZDULGW-APWZRJJASA-N 2 0 344.503 1.851 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000359703064 445383349 /nfs/dbraw/zinc/38/33/49/445383349.db2.gz ITBZXEFFSMLASH-MRXNPFEDSA-N 2 0 340.512 1.214 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362562415 445440486 /nfs/dbraw/zinc/44/04/86/445440486.db2.gz SPWXPRSHTVPSAC-HUUCEWRRSA-N 2 0 333.480 1.871 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC([NH+]2CCCCC2)CC1 ZINC000362565238 445441988 /nfs/dbraw/zinc/44/19/88/445441988.db2.gz SGHXLCLEEYMWNZ-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000348924049 445442872 /nfs/dbraw/zinc/44/28/72/445442872.db2.gz XNCUITWEMUDQTH-SFHVURJKSA-N 2 0 331.460 1.872 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC000348930719 445444722 /nfs/dbraw/zinc/44/47/22/445444722.db2.gz LNWDPHYMWJTYEJ-AEFFLSMTSA-N 2 0 347.507 1.603 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000355514317 445465960 /nfs/dbraw/zinc/46/59/60/445465960.db2.gz CPDDDSYVYIIAQR-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP COC[C@]1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000357257049 445510923 /nfs/dbraw/zinc/51/09/23/445510923.db2.gz LADIBJIBHKDSRU-LJQANCHMSA-N 2 0 331.460 1.781 20 0 EDADRP CN(CC[NH+]1CCCC1)CC1(CN(C)CC[NH+]2CCCC2)COC1 ZINC000360009403 445526064 /nfs/dbraw/zinc/52/60/64/445526064.db2.gz DXCDPEGFUQEQBD-UHFFFAOYSA-N 2 0 338.540 1.058 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000349057342 445490666 /nfs/dbraw/zinc/49/06/66/445490666.db2.gz NAJHUVXDFJWXNW-GOSISDBHSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000360121665 445578712 /nfs/dbraw/zinc/57/87/12/445578712.db2.gz AHMYEJYWILRJSK-CVEARBPZSA-N 2 0 328.501 1.467 20 0 EDADRP C[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356046215 445588654 /nfs/dbraw/zinc/58/86/54/445588654.db2.gz MQOGLKWUGMLBDT-JZXOWHBKSA-N 2 0 333.476 1.420 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000360047795 445545203 /nfs/dbraw/zinc/54/52/03/445545203.db2.gz ZCJPVCAYHOTEIY-CQSZACIVSA-N 2 0 343.493 1.677 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353433198 445599222 /nfs/dbraw/zinc/59/92/22/445599222.db2.gz PEIBTLNZENSGPY-QZTJIDSGSA-N 2 0 338.540 1.782 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353462437 445613161 /nfs/dbraw/zinc/61/31/61/445613161.db2.gz SLHRXIOZGXXMQT-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000360175842 445613508 /nfs/dbraw/zinc/61/35/08/445613508.db2.gz ODRGOTGNBLHCEB-GOSISDBHSA-N 2 0 348.491 1.052 20 0 EDADRP C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050886 445591162 /nfs/dbraw/zinc/59/11/62/445591162.db2.gz SUGHBCALOFIHNI-QFBILLFUSA-N 2 0 345.487 1.810 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362878275 445593057 /nfs/dbraw/zinc/59/30/57/445593057.db2.gz RXRBFLUBSPGXQL-OAHLLOKOSA-N 2 0 325.497 1.270 20 0 EDADRP CC[C@H]([NH2+]C[C@@H](C)N1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353546546 445651091 /nfs/dbraw/zinc/65/10/91/445651091.db2.gz PDIMKBJNZNBJGZ-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP COC(=O)C1CCC([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000353673148 445701208 /nfs/dbraw/zinc/70/12/08/445701208.db2.gz RJXLGVLMISXEDI-UHFFFAOYSA-N 2 0 339.480 1.300 20 0 EDADRP Cc1nc(N2CC[NH+](C(C)C)CC2)nc(N2CC[NH+](C(C)C)CC2)n1 ZINC000356195689 445670681 /nfs/dbraw/zinc/67/06/81/445670681.db2.gz TXSPMQAJPUGJNG-UHFFFAOYSA-N 2 0 347.511 1.241 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349934716 445726356 /nfs/dbraw/zinc/72/63/56/445726356.db2.gz OPILCRKHUJMIIG-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722425 445741911 /nfs/dbraw/zinc/74/19/11/445741911.db2.gz ODLUVBQVMGVOJD-APWZRJJASA-N 2 0 348.491 1.263 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000350052626 445758287 /nfs/dbraw/zinc/75/82/87/445758287.db2.gz TWCBLUPDQQGLGW-GJZGRUSLSA-N 2 0 339.480 1.251 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000363389261 445783558 /nfs/dbraw/zinc/78/35/58/445783558.db2.gz IMSARHJWNQPUNY-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1ccc([C@H](O)C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456293 445812675 /nfs/dbraw/zinc/81/26/75/445812675.db2.gz LJZIFOMMIQZSRU-UYAOXDASSA-N 2 0 331.504 1.988 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000361685498 445876550 /nfs/dbraw/zinc/87/65/50/445876550.db2.gz FIFTZQOAIZHIDN-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP CC[C@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000363511911 445839181 /nfs/dbraw/zinc/83/91/81/445839181.db2.gz QTUVYBAAZQRVIM-FQEVSTJZSA-N 2 0 344.503 1.705 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361625520 445854201 /nfs/dbraw/zinc/85/42/01/445854201.db2.gz FQWRQZBGAKBLLS-UHFFFAOYSA-N 2 0 339.443 1.935 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2)CC1 ZINC000361632754 445858596 /nfs/dbraw/zinc/85/85/96/445858596.db2.gz UDPNVGAKGRWVKD-UHFFFAOYSA-N 2 0 339.443 1.540 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000358984349 445874965 /nfs/dbraw/zinc/87/49/65/445874965.db2.gz JGKBWAHSTHIYFU-IBGZPJMESA-N 2 0 335.467 1.793 20 0 EDADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)[NH+](C)C ZINC000364548002 445931866 /nfs/dbraw/zinc/93/18/66/445931866.db2.gz SRBLGAGGULNKLN-QBPKDAKJSA-N 2 0 325.497 1.578 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)C[C@H]1C ZINC000361774407 445933624 /nfs/dbraw/zinc/93/36/24/445933624.db2.gz SGOCQYMDGHMYKE-NVXWUHKLSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(Cc3cn(-c4cc[nH+]cc4)nc3C)[C@@H]2C1 ZINC000354144258 445941857 /nfs/dbraw/zinc/94/18/57/445941857.db2.gz ZCYOVCKYBMZZDR-RTBURBONSA-N 2 0 341.459 1.871 20 0 EDADRP COC1(C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000361710112 445891327 /nfs/dbraw/zinc/89/13/27/445891327.db2.gz DFLINOTYCPVEEC-UHFFFAOYSA-N 2 0 343.471 1.940 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCSC1 ZINC000354163260 445960167 /nfs/dbraw/zinc/96/01/67/445960167.db2.gz LRFHSZWNXSTNPG-VMBOVVBDSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])CCC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000373057241 445998738 /nfs/dbraw/zinc/99/87/38/445998738.db2.gz JXWAMCVYNHQQRO-OIISXLGYSA-N 2 0 346.475 1.091 20 0 EDADRP COC1(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967470 445948514 /nfs/dbraw/zinc/94/85/14/445948514.db2.gz NLOIMGKGCWTRBC-IRXDYDNUSA-N 2 0 325.497 1.140 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)c1 ZINC000359191037 446017093 /nfs/dbraw/zinc/01/70/93/446017093.db2.gz OBTYVWATCVTNPK-UHFFFAOYSA-N 2 0 331.460 1.843 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)n1 ZINC000582972885 325972221 /nfs/dbraw/zinc/97/22/21/325972221.db2.gz KSXLYYBMHMRXCC-INIZCTEOSA-N 2 0 333.480 1.535 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000583132974 326008000 /nfs/dbraw/zinc/00/80/00/326008000.db2.gz OZQWWYIKRRMYGH-VQIMIIECSA-N 2 0 344.503 1.991 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000583360010 326056054 /nfs/dbraw/zinc/05/60/54/326056054.db2.gz BAINHYJBWONVOS-OAHLLOKOSA-N 2 0 334.468 1.394 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000583430304 326070931 /nfs/dbraw/zinc/07/09/31/326070931.db2.gz HHTQQDBTEFWZPR-OAHLLOKOSA-N 2 0 338.496 1.319 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000583498358 326085233 /nfs/dbraw/zinc/08/52/33/326085233.db2.gz NOWMGHWQQCAYAQ-UHFFFAOYSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000583626599 326106120 /nfs/dbraw/zinc/10/61/20/326106120.db2.gz XWMBCPQVPGESFM-JTDSTZFVSA-N 2 0 332.488 1.851 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000583930326 326167675 /nfs/dbraw/zinc/16/76/75/326167675.db2.gz ZHYVCYUBFMZAIC-SFHVURJKSA-N 2 0 349.519 1.659 20 0 EDADRP C[C@H]1CN(C(=O)/C=C/c2ccn(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000365173453 446065722 /nfs/dbraw/zinc/06/57/22/446065722.db2.gz ULLYGUBRAKMTGX-APHBUQMISA-N 2 0 330.476 1.665 20 0 EDADRP COC(=O)c1coc([C@@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000373174180 446074409 /nfs/dbraw/zinc/07/44/09/446074409.db2.gz SRBMJQCFCGZJCL-UKRRQHHQSA-N 2 0 335.448 1.885 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CCOCC1 ZINC000354349298 446132768 /nfs/dbraw/zinc/13/27/68/446132768.db2.gz SGYMQRBKEADBCT-KRWDZBQOSA-N 2 0 347.507 1.784 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000373223875 446104989 /nfs/dbraw/zinc/10/49/89/446104989.db2.gz MFDXZGWESGHVGR-ZWKOTPCHSA-N 2 0 328.460 1.993 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCC[C@@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521348 446124120 /nfs/dbraw/zinc/12/41/20/446124120.db2.gz UHILYLGJUWYYHP-LPHOPBHVSA-N 2 0 345.487 1.584 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)CC2)C1 ZINC000365348813 446161599 /nfs/dbraw/zinc/16/15/99/446161599.db2.gz LNGBBZCTAQKMQL-SFHVURJKSA-N 2 0 349.523 1.035 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCC[C@H]1CO ZINC000370300124 446220703 /nfs/dbraw/zinc/22/07/03/446220703.db2.gz NJEGWTSKKPQAFO-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457252 446233556 /nfs/dbraw/zinc/23/35/56/446233556.db2.gz IURMRKRUOGAQDR-KDURUIRLSA-N 2 0 328.504 1.870 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000366563717 446263535 /nfs/dbraw/zinc/26/35/35/446263535.db2.gz FCVPMGXSBBWIKC-MJGOQNOKSA-N 2 0 342.487 1.653 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365626578 446279007 /nfs/dbraw/zinc/27/90/07/446279007.db2.gz XSJNRJLKDJXJHV-DLBZAZTESA-N 2 0 346.475 1.513 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000365660161 446292025 /nfs/dbraw/zinc/29/20/25/446292025.db2.gz FHHIKBSRKSRJJK-YJBOKZPZSA-N 2 0 343.487 1.816 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359637688 446331188 /nfs/dbraw/zinc/33/11/88/446331188.db2.gz RQSDTUQERSCKEO-GDBMZVCRSA-N 2 0 328.526 1.597 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000370587521 446344234 /nfs/dbraw/zinc/34/42/34/446344234.db2.gz IPPQKSUAVWFMPX-LPHOPBHVSA-N 2 0 347.507 1.651 20 0 EDADRP C[NH2+]CCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417331615 446344953 /nfs/dbraw/zinc/34/49/53/446344953.db2.gz MPKYGOWYCRQMMP-UHFFFAOYSA-N 2 0 334.464 1.426 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417371333 446351209 /nfs/dbraw/zinc/35/12/09/446351209.db2.gz VJDAFYSTPKKQLX-INIZCTEOSA-N 2 0 348.491 1.897 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000417436402 446351699 /nfs/dbraw/zinc/35/16/99/446351699.db2.gz DRUKFNKZQNZSDC-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000417515927 446359522 /nfs/dbraw/zinc/35/95/22/446359522.db2.gz MGOIDYVLVIIWRP-DOTOQJQBSA-N 2 0 336.480 1.685 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000417529244 446362701 /nfs/dbraw/zinc/36/27/01/446362701.db2.gz QMPZNNUAJFKOBM-LJQANCHMSA-N 2 0 348.491 1.550 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000417534041 446363026 /nfs/dbraw/zinc/36/30/26/446363026.db2.gz YGSHVWPHWKVNPG-WBVHZDCISA-N 2 0 348.491 1.548 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417731069 446371697 /nfs/dbraw/zinc/37/16/97/446371697.db2.gz FGTZJXVKQSBVSP-MPTYRVRUSA-N 2 0 348.516 1.992 20 0 EDADRP CC[C@@H](NC(=O)NCC1C[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000417891269 446376891 /nfs/dbraw/zinc/37/68/91/446376891.db2.gz LGTQMUYBLXNVTI-QZTJIDSGSA-N 2 0 346.475 1.185 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417908619 446383093 /nfs/dbraw/zinc/38/30/93/446383093.db2.gz GTOZXEPLSJVMHN-KURKYZTESA-N 2 0 336.524 1.995 20 0 EDADRP CC(C)N1CC[C@@H]([NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1=O ZINC000370688091 446388168 /nfs/dbraw/zinc/38/81/68/446388168.db2.gz GYYYTCRVTJIDIJ-GOSISDBHSA-N 2 0 336.524 1.486 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417933930 446390245 /nfs/dbraw/zinc/39/02/45/446390245.db2.gz FBOCBPCRESZKRS-XMTFNYHQSA-N 2 0 328.460 1.968 20 0 EDADRP CN(C(=O)C[C@H](O)CC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365894709 446391739 /nfs/dbraw/zinc/39/17/39/446391739.db2.gz KBUJDNOYSFIPND-IRXDYDNUSA-N 2 0 339.524 1.801 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000417946164 446394947 /nfs/dbraw/zinc/39/49/47/446394947.db2.gz GHSCCFAWNYNFSN-ZBFHGGJFSA-N 2 0 349.479 1.148 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418074672 446432559 /nfs/dbraw/zinc/43/25/59/446432559.db2.gz OBBRLYHZJHRBBH-AEFFLSMTSA-N 2 0 348.491 1.704 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000431790339 446433528 /nfs/dbraw/zinc/43/35/28/446433528.db2.gz XEMXFWNUDLUREC-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778570 446437076 /nfs/dbraw/zinc/43/70/76/446437076.db2.gz GKPWGWZQMKZNAR-OXQOHEQNSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418133036 446441989 /nfs/dbraw/zinc/44/19/89/446441989.db2.gz FNMOPFIMSFTSJY-MAUKXSAKSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCCO[C@@H](C[NH3+])C2)n1 ZINC000420288148 446453078 /nfs/dbraw/zinc/45/30/78/446453078.db2.gz SCFOAYNXSZMANW-ZOBUZTSGSA-N 2 0 349.479 1.646 20 0 EDADRP C([NH2+][C@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C1(N2CCOCC2)CCOCC1 ZINC000423170147 446446741 /nfs/dbraw/zinc/44/67/41/446446741.db2.gz LCLWNQOWBZKJJU-SQNIBIBYSA-N 2 0 337.508 1.378 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423191483 446449021 /nfs/dbraw/zinc/44/90/21/446449021.db2.gz UFLXZDHEWHEJIL-QUCCMNQESA-N 2 0 330.520 1.782 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420284501 446449772 /nfs/dbraw/zinc/44/97/72/446449772.db2.gz CYBYYGGDWMEQMY-JKIFEVAISA-N 2 0 347.459 1.537 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000417972865 446404018 /nfs/dbraw/zinc/40/40/18/446404018.db2.gz BUPLKIZNGNUGQJ-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[NH+]2CCCCC2)ccc1C[NH+](C)C ZINC000411133777 446407337 /nfs/dbraw/zinc/40/73/37/446407337.db2.gz HYURMQVBNWCEAZ-UHFFFAOYSA-N 2 0 346.475 1.597 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418012438 446415183 /nfs/dbraw/zinc/41/51/83/446415183.db2.gz LXTLCYQYBDOOGD-CYGHRXIMSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019766 446417894 /nfs/dbraw/zinc/41/78/94/446417894.db2.gz YHELSMFCLIQYHS-DZJNRPSUSA-N 2 0 328.460 1.368 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000418032058 446421436 /nfs/dbraw/zinc/42/14/36/446421436.db2.gz UPGQZPXZNWDJMQ-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP COC1(C(=O)NC2CC[NH+](Cc3cccs3)CC2)CC[NH2+]CC1 ZINC000370763195 446422029 /nfs/dbraw/zinc/42/20/29/446422029.db2.gz GQUJAQCCYLXDQA-UHFFFAOYSA-N 2 0 337.489 1.597 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418191611 446454161 /nfs/dbraw/zinc/45/41/61/446454161.db2.gz KZPGOAOGZLXOMF-MRXNPFEDSA-N 2 0 349.479 1.353 20 0 EDADRP Cc1cccc2nc(CN3CCC([NH2+]CC4CC4)CC3)cc(=O)n12 ZINC000420291328 446454902 /nfs/dbraw/zinc/45/49/02/446454902.db2.gz NGTGSPUJXBZNBH-UHFFFAOYSA-N 2 0 326.444 1.967 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411270433 446457088 /nfs/dbraw/zinc/45/70/88/446457088.db2.gz JHPYEYQNDQSLNP-UHFFFAOYSA-N 2 0 348.491 1.843 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000376409546 446480885 /nfs/dbraw/zinc/48/08/85/446480885.db2.gz AGMXSVQDRVUSNP-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000418212819 446459714 /nfs/dbraw/zinc/45/97/14/446459714.db2.gz VBBJQAYJEVRLED-RDJZCZTQSA-N 2 0 334.464 1.738 20 0 EDADRP CCOC(=O)c1[nH]c(C)c(C(=O)CN2CCC(C[NH2+]C)CC2)c1C ZINC000420299236 446461649 /nfs/dbraw/zinc/46/16/49/446461649.db2.gz TXKXAGSXIGZPMU-UHFFFAOYSA-N 2 0 335.448 1.922 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CC[NH2+]C[C@H]2c2cccnc2)CC1 ZINC000420308545 446471473 /nfs/dbraw/zinc/47/14/73/446471473.db2.gz KMEGGHJOBBMDEP-IBGZPJMESA-N 2 0 331.508 1.444 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423296721 446475784 /nfs/dbraw/zinc/47/57/84/446475784.db2.gz HNIFIHYEIMZXJP-ROUUACIJSA-N 2 0 341.459 1.840 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423299650 446478581 /nfs/dbraw/zinc/47/85/81/446478581.db2.gz QISCTIMVNWOBQB-BEFAXECRSA-N 2 0 344.459 1.449 20 0 EDADRP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423317027 446486161 /nfs/dbraw/zinc/48/61/61/446486161.db2.gz BDNNAUBBZLMRDI-HLLBOEOZSA-N 2 0 333.480 1.658 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862165 446486422 /nfs/dbraw/zinc/48/64/22/446486422.db2.gz PQGUNGXUVNUBIF-GOSISDBHSA-N 2 0 331.460 1.790 20 0 EDADRP CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420326637 446493692 /nfs/dbraw/zinc/49/36/92/446493692.db2.gz COCBIVNRDYEOMB-XHSDSOJGSA-N 2 0 334.464 2.412 20 0 EDADRP C[C@@H](CNC(=O)[C@H](N)c1cscn1)N1CCc2sccc2C1 ZINC000423340147 446494939 /nfs/dbraw/zinc/49/49/39/446494939.db2.gz XCWRXQJKHPQONG-IINYFYTJSA-N 2 0 336.486 1.767 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423363982 446501370 /nfs/dbraw/zinc/50/13/70/446501370.db2.gz CFJGLGWZYOFSBI-HEHGZKQESA-N 2 0 325.478 1.586 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc2ccccc2c1=O ZINC000420333120 446502721 /nfs/dbraw/zinc/50/27/21/446502721.db2.gz SLAUWRGQKPOKGS-LSDHHAIUSA-N 2 0 326.444 1.755 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335366 446504537 /nfs/dbraw/zinc/50/45/37/446504537.db2.gz HFBVQLJOYAJMNV-MSOLQXFVSA-N 2 0 327.472 1.893 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337267 446508428 /nfs/dbraw/zinc/50/84/28/446508428.db2.gz MZMYUYVBWMHLEA-CALCHBBNSA-N 2 0 331.460 1.585 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418343798 446508533 /nfs/dbraw/zinc/50/85/33/446508533.db2.gz JZFKEAKTMGGWHC-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000423383529 446510399 /nfs/dbraw/zinc/51/03/99/446510399.db2.gz JMHLFAAMQWPGJJ-NVXWUHKLSA-N 2 0 333.476 1.366 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418323674 446498458 /nfs/dbraw/zinc/49/84/58/446498458.db2.gz UZZPWLXHJSADHN-KYJSFNMBSA-N 2 0 348.466 1.818 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423357215 446498863 /nfs/dbraw/zinc/49/88/63/446498863.db2.gz LUKDTWSOVQIEPO-SCTDSRPQSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(NCC1C[NH2+]C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418479614 446558435 /nfs/dbraw/zinc/55/84/35/446558435.db2.gz AOWYKWSYGXTKGU-UHFFFAOYSA-N 2 0 342.487 1.904 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420384284 446559390 /nfs/dbraw/zinc/55/93/90/446559390.db2.gz GLZMTNDYGVWSBX-BHYGNILZSA-N 2 0 325.497 1.756 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433371539 446565266 /nfs/dbraw/zinc/56/52/66/446565266.db2.gz BJADFXAJIPJGHV-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346760 446522003 /nfs/dbraw/zinc/52/20/03/446522003.db2.gz DNIZRZYNXDNHSS-YJBOKZPZSA-N 2 0 348.466 1.152 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418380451 446522694 /nfs/dbraw/zinc/52/26/94/446522694.db2.gz FJVONOHUTVKLEC-RLNQZENFSA-N 2 0 346.475 1.710 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418393476 446525765 /nfs/dbraw/zinc/52/57/65/446525765.db2.gz WXUKHVJSQBYFFK-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418394299 446525903 /nfs/dbraw/zinc/52/59/03/446525903.db2.gz ZEEOZIFSBSXFNC-HKUYNNGSSA-N 2 0 348.491 1.248 20 0 EDADRP Fc1ccc(-c2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)on2)cc1 ZINC000420348728 446525896 /nfs/dbraw/zinc/52/58/96/446525896.db2.gz MWCMIOCLVMWAPC-MRXNPFEDSA-N 2 0 330.407 1.960 20 0 EDADRP COC[C@]1(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423421242 446528458 /nfs/dbraw/zinc/52/84/58/446528458.db2.gz XUTTUVNXVZASGF-IPMKNSEASA-N 2 0 333.476 1.847 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)[C@]34C[C@H]3CC[NH2+]4)CC2)C[C@H](C)O1 ZINC000423424472 446529286 /nfs/dbraw/zinc/52/92/86/446529286.db2.gz FSBXASNAUNSJDE-BVYOLEPJSA-N 2 0 335.492 1.476 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418411312 446534548 /nfs/dbraw/zinc/53/45/48/446534548.db2.gz PDUGDHNGQOBDSO-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP COc1ccc(OCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433137817 446535726 /nfs/dbraw/zinc/53/57/26/446535726.db2.gz QAUMTYHGELOGCD-UHFFFAOYSA-N 2 0 349.475 1.784 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC000433139394 446535752 /nfs/dbraw/zinc/53/57/52/446535752.db2.gz XCQSGZQUFVJQAQ-GOSISDBHSA-N 2 0 349.450 1.929 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418420280 446538310 /nfs/dbraw/zinc/53/83/10/446538310.db2.gz YZOWMLPTYAVLNX-ZGRYLRDCSA-N 2 0 337.512 1.020 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000418425563 446539907 /nfs/dbraw/zinc/53/99/07/446539907.db2.gz LWBZZMAELFLKBK-BRWVUGGUSA-N 2 0 338.496 1.258 20 0 EDADRP C[NH+](C)C[C@H](O)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453106263 446546587 /nfs/dbraw/zinc/54/65/87/446546587.db2.gz YLVUWZAHIHJTJF-WTGUMLROSA-N 3 0 331.504 1.942 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418467187 446555122 /nfs/dbraw/zinc/55/51/22/446555122.db2.gz ICXCGFQHFCSKPA-MSOLQXFVSA-N 2 0 348.491 1.168 20 0 EDADRP CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)N1CC[NH2+]CC1)C2 ZINC000420381491 446556303 /nfs/dbraw/zinc/55/63/03/446556303.db2.gz XJXVAAQRHCXALD-UHFFFAOYSA-N 2 0 331.460 1.655 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000371020870 446578911 /nfs/dbraw/zinc/57/89/11/446578911.db2.gz WIDLWKLKJONTLD-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420408409 446581800 /nfs/dbraw/zinc/58/18/00/446581800.db2.gz VZIXTOOTLQBKHT-ZDUSSCGKSA-N 2 0 339.867 1.645 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418568181 446598093 /nfs/dbraw/zinc/59/80/93/446598093.db2.gz OOBVGSZLDQDWNV-WBIUFABUSA-N 2 0 326.391 1.447 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000411550305 446598547 /nfs/dbraw/zinc/59/85/47/446598547.db2.gz KDLMMKNOTGABTC-HNNXBMFYSA-N 2 0 348.491 1.840 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000420460971 446639840 /nfs/dbraw/zinc/63/98/40/446639840.db2.gz SWEWDMOXHHQCED-UHFFFAOYSA-N 2 0 340.276 1.682 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418663921 446640156 /nfs/dbraw/zinc/64/01/56/446640156.db2.gz AAWKHCCQABIXAZ-OFLPRAFFSA-N 2 0 339.528 1.218 20 0 EDADRP O=C([C@@H]1CSCN1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423747803 446676566 /nfs/dbraw/zinc/67/65/66/446676566.db2.gz QAAOPQQJCFKIHM-KRWDZBQOSA-N 2 0 333.501 1.816 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000418743280 446665606 /nfs/dbraw/zinc/66/56/06/446665606.db2.gz CPUSCEYPOTVHLB-MRXNPFEDSA-N 2 0 339.528 1.234 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418750648 446669127 /nfs/dbraw/zinc/66/91/27/446669127.db2.gz OWJAUFUXAIMBQN-AWEZNQCLSA-N 2 0 326.391 1.197 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418631109 446623771 /nfs/dbraw/zinc/62/37/71/446623771.db2.gz GCTVPPRGCUKVQP-WMZOPIPTSA-N 2 0 346.475 1.019 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418632333 446623982 /nfs/dbraw/zinc/62/39/82/446623982.db2.gz VLSLCXASZGEKAH-QGZVFWFLSA-N 2 0 347.507 1.054 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418645855 446629596 /nfs/dbraw/zinc/62/95/96/446629596.db2.gz WQJIIQXLMZDGSJ-AEFFLSMTSA-N 2 0 330.476 1.998 20 0 EDADRP CN(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000418645832 446629682 /nfs/dbraw/zinc/62/96/82/446629682.db2.gz WPBDSUVFXLZTEH-FUHWJXTLSA-N 2 0 328.460 1.752 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C(C)(C)CO)CC1 ZINC000411643185 446632343 /nfs/dbraw/zinc/63/23/43/446632343.db2.gz OUTGOGFNWAWRLP-IBGZPJMESA-N 2 0 347.503 1.936 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423758125 446687377 /nfs/dbraw/zinc/68/73/77/446687377.db2.gz JJJHXOBPLSUNAG-UHFFFAOYSA-N 2 0 347.507 1.685 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418767506 446687312 /nfs/dbraw/zinc/68/73/12/446687312.db2.gz LOKJDTRACUAKQI-INIZCTEOSA-N 2 0 339.528 1.234 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418773422 446691529 /nfs/dbraw/zinc/69/15/29/446691529.db2.gz VFMBJDPOUSEHHH-OAHLLOKOSA-N 2 0 340.418 1.757 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)C1(C)C ZINC000423798624 446699370 /nfs/dbraw/zinc/69/93/70/446699370.db2.gz JFKRGTFRKLWWNX-RKVPGOIHSA-N 2 0 325.497 1.756 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC)C2)c1 ZINC000411912386 446723884 /nfs/dbraw/zinc/72/38/84/446723884.db2.gz VPHMHEJRLBAVFD-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP COCC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000371270726 446730429 /nfs/dbraw/zinc/73/04/29/446730429.db2.gz HVRQOFOMDNBBTN-HXUWFJFHSA-N 2 0 345.487 1.915 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896078 446750147 /nfs/dbraw/zinc/75/01/47/446750147.db2.gz GFGWMJOZBJKTCX-MANSERQUSA-N 2 0 343.471 1.222 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423905146 446756484 /nfs/dbraw/zinc/75/64/84/446756484.db2.gz OXKFWDLWOPVVPQ-QRVBRYPASA-N 2 0 343.471 1.488 20 0 EDADRP CCOC(=O)c1coc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000418891963 446777875 /nfs/dbraw/zinc/77/78/75/446777875.db2.gz VHLWOJMAEBPOEI-YIONKMFJSA-N 2 0 348.447 1.599 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000418899056 446782252 /nfs/dbraw/zinc/78/22/52/446782252.db2.gz BKHLVLKDIIOGAH-IXDOHACOSA-N 2 0 346.475 1.182 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423931031 446782542 /nfs/dbraw/zinc/78/25/42/446782542.db2.gz LXVRQFFUFGLWLR-BVIKNXMNSA-N 2 0 347.507 1.650 20 0 EDADRP COC1([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC1 ZINC000412025090 446790919 /nfs/dbraw/zinc/79/09/19/446790919.db2.gz PABYULYNYPYQTI-NVXWUHKLSA-N 2 0 333.476 1.953 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000418940701 446815397 /nfs/dbraw/zinc/81/53/97/446815397.db2.gz TXSSWFVRFWQTHE-JKSUJKDBSA-N 2 0 340.512 1.343 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418941604 446815434 /nfs/dbraw/zinc/81/54/34/446815434.db2.gz VWIUOOUZGNMHPF-CVEARBPZSA-N 2 0 338.496 1.002 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@@H+]1C ZINC000418959165 446828157 /nfs/dbraw/zinc/82/81/57/446828157.db2.gz HFHYNCKDCSEQSO-GDBMZVCRSA-N 2 0 338.496 1.014 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000424039258 446828174 /nfs/dbraw/zinc/82/81/74/446828174.db2.gz YJULMCJMCQZPKR-KFWWJZLASA-N 2 0 325.453 1.549 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000419003537 446858883 /nfs/dbraw/zinc/85/88/83/446858883.db2.gz CWJKHNMSWFIJQP-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424158534 446861639 /nfs/dbraw/zinc/86/16/39/446861639.db2.gz TUFDZAHUGWNMOE-XJKCOSOUSA-N 2 0 331.464 1.100 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)c1 ZINC000419015891 446867730 /nfs/dbraw/zinc/86/77/30/446867730.db2.gz FKJYHFINNBNUNG-QGZVFWFLSA-N 2 0 348.491 1.244 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000424452571 446873675 /nfs/dbraw/zinc/87/36/75/446873675.db2.gz IYKWOUAYZWDAGT-QGZVFWFLSA-N 2 0 346.475 1.725 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419047007 446883975 /nfs/dbraw/zinc/88/39/75/446883975.db2.gz RALMZAKPAXBFOI-DJIMGWMZSA-N 2 0 346.475 1.038 20 0 EDADRP C[C@@H]1C[C@@H](N2CCOCC2)CN1N(C)Cc1cn2c(n1)CCCC2 ZINC000377064656 446896649 /nfs/dbraw/zinc/89/66/49/446896649.db2.gz DCCTUKOBLWZGIR-NVXWUHKLSA-N 2 0 333.480 1.361 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000419128796 446939334 /nfs/dbraw/zinc/93/93/34/446939334.db2.gz BYDKHOHMJQGVGY-JKSUJKDBSA-N 2 0 348.491 1.285 20 0 EDADRP CCCNC(=O)CCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420972525 446942673 /nfs/dbraw/zinc/94/26/73/446942673.db2.gz BDCMDZSSQDOMCW-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP CCOC(=O)COCC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975891 446946707 /nfs/dbraw/zinc/94/67/07/446946707.db2.gz GFVZRBTYRXUHMX-UHFFFAOYSA-N 2 0 341.496 1.058 20 0 EDADRP COc1ccc(CCNC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442751655 446950315 /nfs/dbraw/zinc/95/03/15/446950315.db2.gz CUEPDFJTTIDOSA-DZKIICNBSA-N 2 0 349.475 1.420 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CC3(CC(=O)OC)CC3)CC2)CC1 ZINC000420984416 446960691 /nfs/dbraw/zinc/96/06/91/446960691.db2.gz TUQDLXPIOAOXRY-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP [NH3+][C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)c1ccccc1 ZINC000372121629 447014924 /nfs/dbraw/zinc/01/49/24/447014924.db2.gz OFBVJHZLXMQPSV-GOSISDBHSA-N 2 0 341.459 1.799 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000419163973 446981393 /nfs/dbraw/zinc/98/13/93/446981393.db2.gz MGFSPCKXQSAQLF-RDJZCZTQSA-N 2 0 348.491 1.065 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000454918110 447005022 /nfs/dbraw/zinc/00/50/22/447005022.db2.gz SJTXHAYRZTWUJP-HNNXBMFYSA-N 2 0 348.491 1.909 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000413300664 447125010 /nfs/dbraw/zinc/12/50/10/447125010.db2.gz VOJOWTLGULMHFY-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1C ZINC000425329797 447119305 /nfs/dbraw/zinc/11/93/05/447119305.db2.gz ANLZMCFXCSKTKM-UHFFFAOYSA-N 2 0 335.496 1.563 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444167813 447085381 /nfs/dbraw/zinc/08/53/81/447085381.db2.gz NUGCWUPVQNSKLL-HKUYNNGSSA-N 2 0 331.460 1.285 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)c3coc(C[NH3+])c3)CCCC2)CC1 ZINC000444187643 447091963 /nfs/dbraw/zinc/09/19/63/447091963.db2.gz SJSQTDWNPPSSEO-UHFFFAOYSA-N 2 0 335.448 1.892 20 0 EDADRP CN(C(=O)[C@H]1C[C@@]12CC[NH2+]C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444185460 447092326 /nfs/dbraw/zinc/09/23/26/447092326.db2.gz QINIMGJWAYSRHZ-UYAOXDASSA-N 2 0 342.487 1.547 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419410075 447158935 /nfs/dbraw/zinc/15/89/35/447158935.db2.gz AFYDDWKGVPDLHK-GASCZTMLSA-N 2 0 340.512 1.104 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000375973888 447184936 /nfs/dbraw/zinc/18/49/36/447184936.db2.gz IHGNTEJXIWOTIS-HKUYNNGSSA-N 2 0 331.460 1.633 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000377553075 447201076 /nfs/dbraw/zinc/20/10/76/447201076.db2.gz GRDUHEXCTFMPFY-XOKHGSTOSA-N 2 0 345.443 1.922 20 0 EDADRP C[N@H+](C[C@@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507180 447201657 /nfs/dbraw/zinc/20/16/57/447201657.db2.gz GQCQOZLQBKNPCP-DFQSSKMNSA-N 2 0 329.488 1.648 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419474109 447207116 /nfs/dbraw/zinc/20/71/16/447207116.db2.gz BNRPKBRLEKUESM-PMPSAXMXSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@@H+]1C ZINC000445925589 447208851 /nfs/dbraw/zinc/20/88/51/447208851.db2.gz OLWVUIRPGQPUNW-GOEBONIOSA-N 2 0 346.475 1.328 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419484281 447215041 /nfs/dbraw/zinc/21/50/41/447215041.db2.gz SVTLGTBWRLQHBI-BZUAXINKSA-N 2 0 338.496 1.001 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000377588471 447227479 /nfs/dbraw/zinc/22/74/79/447227479.db2.gz SLAWHTPBRFJXGX-OAHLLOKOSA-N 2 0 325.453 1.180 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC3(CCOCC3)C2)CC1 ZINC000372696343 447230293 /nfs/dbraw/zinc/23/02/93/447230293.db2.gz TXHHLZIBVDRUNM-UHFFFAOYSA-N 2 0 325.497 1.284 20 0 EDADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH2+]C1CC1 ZINC000419850407 447450276 /nfs/dbraw/zinc/45/02/76/447450276.db2.gz GDKIMPLUWGVYDM-HNNXBMFYSA-N 2 0 347.463 1.215 20 0 EDADRP O[C@H](CNC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408032 447462240 /nfs/dbraw/zinc/46/22/40/447462240.db2.gz BZAJOJMVENLKFH-VQTJNVASSA-N 2 0 331.504 1.945 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]1CCCC1 ZINC000419976020 447525985 /nfs/dbraw/zinc/52/59/85/447525985.db2.gz BCXRXIUNTUEKJS-HZPDHXFCSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000426775698 447500975 /nfs/dbraw/zinc/50/09/75/447500975.db2.gz UISDIUDTHZZHFR-KRWDZBQOSA-N 2 0 347.507 1.439 20 0 EDADRP C[N@H+](C[C@H](O)CNC[C@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867190 447504479 /nfs/dbraw/zinc/50/44/79/447504479.db2.gz OMZFEGZGZINTKN-UXHICEINSA-N 2 0 347.503 1.322 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NCCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000457530157 447588806 /nfs/dbraw/zinc/58/88/06/447588806.db2.gz HYMCEIYBCKRIKM-CALCHBBNSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)cc1 ZINC000420005930 447541331 /nfs/dbraw/zinc/54/13/31/447541331.db2.gz YDFUEIPBECEUTM-IBGZPJMESA-N 2 0 335.492 1.961 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000420027750 447554243 /nfs/dbraw/zinc/55/42/43/447554243.db2.gz LEURMDZVIZAPNI-YQQAZPJKSA-N 2 0 346.475 1.134 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104272 447556648 /nfs/dbraw/zinc/55/66/48/447556648.db2.gz AZMFDAIWHKFNCB-QFBILLFUSA-N 2 0 345.487 1.782 20 0 EDADRP COCCCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](C)CC1 ZINC000427723554 447638127 /nfs/dbraw/zinc/63/81/27/447638127.db2.gz YSODUWAMWMNZSP-HZPDHXFCSA-N 2 0 325.497 1.819 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457566361 447599186 /nfs/dbraw/zinc/59/91/86/447599186.db2.gz BZFVGZAPHYDLAA-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccs1 ZINC000416436871 447603647 /nfs/dbraw/zinc/60/36/47/447603647.db2.gz KFMOBMUYHBQHLV-CMPLNLGQSA-N 2 0 332.420 1.647 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000420135978 447626544 /nfs/dbraw/zinc/62/65/44/447626544.db2.gz VCUYWOKECWTKRI-DYVFJYSZSA-N 2 0 344.459 1.018 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416837515 447694847 /nfs/dbraw/zinc/69/48/47/447694847.db2.gz HWXPBGCIQFJKAR-QLFBSQMISA-N 2 0 334.489 1.888 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@H]1SC ZINC000459412756 447656263 /nfs/dbraw/zinc/65/62/63/447656263.db2.gz RSCOMWVLIPISPC-BRWVUGGUSA-N 2 0 329.554 1.759 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000451084867 447675207 /nfs/dbraw/zinc/67/52/07/447675207.db2.gz KYPGPECAEPSLCD-MRXNPFEDSA-N 2 0 336.524 1.392 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C[NH3+])C1 ZINC000416810991 447690274 /nfs/dbraw/zinc/69/02/74/447690274.db2.gz CEHKKRQLCRWFQD-GJZGRUSLSA-N 2 0 326.485 1.399 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCN2CCOC)CC[NH2+]CC1 ZINC000422701047 447720468 /nfs/dbraw/zinc/72/04/68/447720468.db2.gz BBNVAMOZOOQYCG-HOTGVXAUSA-N 2 0 341.496 1.008 20 0 EDADRP CCCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416947253 447721160 /nfs/dbraw/zinc/72/11/60/447721160.db2.gz PEHAWWBOMOBXBE-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP CC[C@H](CNC(=O)NC[C@@H](C)C[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000417006869 447729435 /nfs/dbraw/zinc/72/94/35/447729435.db2.gz GGHVNXIMROINNV-MAUKXSAKSA-N 2 0 332.492 1.978 20 0 EDADRP COc1cc(OC)c(OC)cc1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422759030 447741165 /nfs/dbraw/zinc/74/11/65/447741165.db2.gz FJSDRZQIPFTCHZ-QZTJIDSGSA-N 2 0 336.432 1.569 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)Cn1ccnn1 ZINC000459695447 447742061 /nfs/dbraw/zinc/74/20/61/447742061.db2.gz KRCCFYNUYTZDGF-ZSYWTGECSA-N 2 0 341.459 1.139 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000422760117 447742708 /nfs/dbraw/zinc/74/27/08/447742708.db2.gz LQAPNJZGWUZZGD-MJGOQNOKSA-N 2 0 347.503 1.875 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422763359 447743446 /nfs/dbraw/zinc/74/34/46/447743446.db2.gz OWNHYIXOKNTXNU-HRBLRVMOSA-N 2 0 329.492 1.465 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422769652 447745168 /nfs/dbraw/zinc/74/51/68/447745168.db2.gz VWWBTRAMKQREFO-CYBMUJFWSA-N 2 0 348.472 1.478 20 0 EDADRP CN(c1ccccc1C[N@H+]1C[C@H](CO)[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000459711186 447748890 /nfs/dbraw/zinc/74/88/90/447748890.db2.gz QSENWFVHOKWVTI-VQIMIIECSA-N 2 0 333.476 1.002 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(CCO)CCCC2)CC[NH2+]CC1 ZINC000422808785 447755535 /nfs/dbraw/zinc/75/55/35/447755535.db2.gz LMUJIOYZQDTMJU-OAHLLOKOSA-N 2 0 326.481 1.840 20 0 EDADRP CC[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCC[NH2+]1 ZINC000422821527 447759164 /nfs/dbraw/zinc/75/91/64/447759164.db2.gz WTDCTUFDFLNESE-ZWKOTPCHSA-N 2 0 331.508 1.844 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422913826 447771607 /nfs/dbraw/zinc/77/16/07/447771607.db2.gz QVXWPPOQMMPNGV-QZTJIDSGSA-N 2 0 330.476 1.585 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422914896 447771811 /nfs/dbraw/zinc/77/18/11/447771811.db2.gz WKKWPFMIXMRMLT-QFBILLFUSA-N 3 0 344.503 1.600 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CCN2CCOCC2)CC[NH2+]CC1 ZINC000422915836 447772155 /nfs/dbraw/zinc/77/21/55/447772155.db2.gz ZFOQPJKCKKDNET-CVEARBPZSA-N 2 0 341.496 1.008 20 0 EDADRP Cc1ccc(S(=O)(=O)NCCN[C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422942685 447776677 /nfs/dbraw/zinc/77/66/77/447776677.db2.gz XBBFMKVDRHNAIW-ZDUSSCGKSA-N 2 0 334.445 1.432 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422951850 447779540 /nfs/dbraw/zinc/77/95/40/447779540.db2.gz AJXUYQDCKHITMM-KBPBESRZSA-N 2 0 338.883 1.704 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422958843 447780815 /nfs/dbraw/zinc/78/08/15/447780815.db2.gz QEHUAZGCGWZPCA-JSGCOSHPSA-N 2 0 325.840 1.789 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000430800444 447786108 /nfs/dbraw/zinc/78/61/08/447786108.db2.gz QYLSGTJCHBSGNM-CJNGLKHVSA-N 2 0 348.495 1.456 20 0 EDADRP C[C@@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977033 447786480 /nfs/dbraw/zinc/78/64/80/447786480.db2.gz JGFHUZOIAAOXHO-DNVCBOLYSA-N 3 0 326.444 1.782 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000430929380 447787756 /nfs/dbraw/zinc/78/77/56/447787756.db2.gz WFQCOXGKXCHHBW-QGZVFWFLSA-N 2 0 344.503 1.390 20 0 EDADRP COc1cccc(COCC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423000639 447790205 /nfs/dbraw/zinc/79/02/05/447790205.db2.gz GZYBZDLXNQDJRC-GUDVDZBRSA-N 2 0 334.460 1.959 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000451995438 447798706 /nfs/dbraw/zinc/79/87/06/447798706.db2.gz WTVSCSLVWHWIKY-CALCHBBNSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423096665 447804451 /nfs/dbraw/zinc/80/44/51/447804451.db2.gz HZDHXTBIMAHHCF-OCCSQVGLSA-N 2 0 345.896 1.739 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487692855 447836361 /nfs/dbraw/zinc/83/63/61/447836361.db2.gz SFZTVUTUTPSOPE-HOTGVXAUSA-N 2 0 326.485 1.004 20 0 EDADRP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@H]1C ZINC000487995073 447840260 /nfs/dbraw/zinc/84/02/60/447840260.db2.gz ZKCGQZZVBCNOEV-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP CS[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000487096013 447827424 /nfs/dbraw/zinc/82/74/24/447827424.db2.gz MRJWEYKDVFSUNR-HOTGVXAUSA-N 2 0 325.522 1.757 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000496758975 447887889 /nfs/dbraw/zinc/88/78/89/447887889.db2.gz OVVUAIRWNFYSHT-CABCVRRESA-N 2 0 329.485 1.678 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CN3C[C@@]4(C[NH+]5CCC4CC5)OC3=O)C2)C1 ZINC000496840240 447959068 /nfs/dbraw/zinc/95/90/68/447959068.db2.gz ZZGZTGOGINZAJC-RBUKOAKNSA-N 2 0 348.491 1.278 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CCCC[NH3+])CC1 ZINC000570334844 447989392 /nfs/dbraw/zinc/98/93/92/447989392.db2.gz NQKMCPXTWDPIGV-UHFFFAOYSA-N 2 0 332.448 1.532 20 0 EDADRP [NH3+]CC12CCC(CC1)CN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000576168720 447990290 /nfs/dbraw/zinc/99/02/90/447990290.db2.gz YQPMQOZBUHDNME-LWGFOQHQSA-N 2 0 326.444 1.768 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531043759 448005504 /nfs/dbraw/zinc/00/55/04/448005504.db2.gz GEQYTRNDVXTNHX-HXUWFJFHSA-N 2 0 345.487 1.616 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)C1 ZINC000570581629 448033675 /nfs/dbraw/zinc/03/36/75/448033675.db2.gz LHJSUGHQPIFCAI-NZSAHSFTSA-N 2 0 345.487 1.327 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531291548 448054454 /nfs/dbraw/zinc/05/44/54/448054454.db2.gz URAYCDDDLJNFTB-LJQANCHMSA-N 2 0 331.460 1.178 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981557 448089709 /nfs/dbraw/zinc/08/97/09/448089709.db2.gz QWXYVGRHILIBFP-OLZOCXBDSA-N 2 0 348.413 1.931 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C1 ZINC000502025817 448099388 /nfs/dbraw/zinc/09/93/88/448099388.db2.gz XLCMJOKCXPDRIO-IKGGRYGDSA-N 2 0 340.512 1.467 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000570794830 448065039 /nfs/dbraw/zinc/06/50/39/448065039.db2.gz HYMYHYATDIHPOQ-BZSNNMDCSA-N 2 0 328.497 1.520 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000571156470 448111833 /nfs/dbraw/zinc/11/18/33/448111833.db2.gz DBKSBZXHLQKKIA-QZTJIDSGSA-N 2 0 331.508 1.973 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000571185487 448122002 /nfs/dbraw/zinc/12/20/02/448122002.db2.gz LJXGYBNNYFDYRR-STQMWFEESA-N 2 0 330.423 1.403 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695790 448129139 /nfs/dbraw/zinc/12/91/39/448129139.db2.gz XBAKOCBALDZYCM-KMFMINBZSA-N 2 0 347.459 1.241 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000492064966 448172492 /nfs/dbraw/zinc/17/24/92/448172492.db2.gz GTLWYCHGGKPIPH-YVMONPNESA-N 2 0 331.460 1.377 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527127483 448166732 /nfs/dbraw/zinc/16/67/32/448166732.db2.gz RZBBJDARQVKJCS-UHFFFAOYSA-N 2 0 349.479 1.346 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H](N)c1cscn1 ZINC000582414552 448229898 /nfs/dbraw/zinc/22/98/98/448229898.db2.gz DSZMCHAGBIOZFB-INWMFGNUSA-N 2 0 330.457 1.780 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000572033565 448268470 /nfs/dbraw/zinc/26/84/70/448268470.db2.gz PUTOIKMXOINROA-OTRWWLKZSA-N 2 0 334.464 1.047 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582555889 448273798 /nfs/dbraw/zinc/27/37/98/448273798.db2.gz RUIIEMSVJCSSDZ-IBGZPJMESA-N 2 0 347.503 1.877 20 0 EDADRP O=C(C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000572026453 448266130 /nfs/dbraw/zinc/26/61/30/448266130.db2.gz GZNXKGHTIUNGTH-CYBMUJFWSA-N 2 0 325.865 1.898 20 0 EDADRP COc1cccc(C[C@@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000515405066 448308375 /nfs/dbraw/zinc/30/83/75/448308375.db2.gz VZXKOHRLLRFCNP-ROUUACIJSA-N 2 0 345.487 1.899 20 0 EDADRP CO[C@@](C)([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CC1 ZINC000572223114 448318025 /nfs/dbraw/zinc/31/80/25/448318025.db2.gz DCBNZEFURRKQEL-YOEHRIQHSA-N 2 0 328.501 1.325 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CCSC1 ZINC000572227368 448319390 /nfs/dbraw/zinc/31/93/90/448319390.db2.gz TUJVBLPYGKTGKC-LZLYRXPVSA-N 2 0 348.516 1.479 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000577386362 448285128 /nfs/dbraw/zinc/28/51/28/448285128.db2.gz PRQJEGIWXIOGLL-GOEBONIOSA-N 2 0 325.522 1.662 20 0 EDADRP Brc1cnn(C2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000577730960 448372222 /nfs/dbraw/zinc/37/22/22/448372222.db2.gz JZIYACBWVVFEPF-UHFFFAOYSA-N 2 0 342.285 1.188 20 0 EDADRP [NH3+]C1(CNC(=O)Cc2cc[nH]n2)CC[NH+](Cc2ccccc2)CC1 ZINC000577728525 448371155 /nfs/dbraw/zinc/37/11/55/448371155.db2.gz IKGODUKPBQGBNL-UHFFFAOYSA-N 2 0 327.432 1.062 20 0 EDADRP CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000582959557 448388813 /nfs/dbraw/zinc/38/88/13/448388813.db2.gz FFRCYHPIZAXNLL-AEFFLSMTSA-N 2 0 333.476 1.271 20 0 EDADRP CN1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@@H](C[NH3+])C1 ZINC000572705409 448442633 /nfs/dbraw/zinc/44/26/33/448442633.db2.gz GBDWKFRXJIEJAZ-KRWDZBQOSA-N 2 0 339.443 1.533 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000516645254 448454059 /nfs/dbraw/zinc/45/40/59/448454059.db2.gz QOKYMYQQUWUFBP-UXHICEINSA-N 2 0 333.520 1.972 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000516772668 448471602 /nfs/dbraw/zinc/47/16/02/448471602.db2.gz LBOXVQCXPBRRBX-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP C[N@H+](C[C@H](O)CNCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762036 448469353 /nfs/dbraw/zinc/46/93/53/448469353.db2.gz SBTSRHMGBNUUAX-HXUWFJFHSA-N 2 0 346.519 1.243 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000584464602 448535533 /nfs/dbraw/zinc/53/55/33/448535533.db2.gz BAKVCSXIAVXWKH-BHIYHBOVSA-N 2 0 347.503 1.683 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687708 448540374 /nfs/dbraw/zinc/54/03/74/448540374.db2.gz OZAJVDDPHFXUEW-INIZCTEOSA-N 2 0 328.460 1.669 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129683 448541786 /nfs/dbraw/zinc/54/17/86/448541786.db2.gz JDONABAGGUYWPJ-SFHVURJKSA-N 2 0 347.503 1.704 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153931 448545745 /nfs/dbraw/zinc/54/57/45/448545745.db2.gz LAGIBDZUFJLJOG-OAGGEKHMSA-N 2 0 331.464 1.237 20 0 EDADRP CC(C)(C(=O)NCCC[NH+]1CCC(O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000584718553 448607458 /nfs/dbraw/zinc/60/74/58/448607458.db2.gz UCSMAFBWXXCZMJ-KRWDZBQOSA-N 2 0 333.476 1.676 20 0 EDADRP C[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000573428489 448622810 /nfs/dbraw/zinc/62/28/10/448622810.db2.gz MWKUYCJMWVYCDE-JQHSSLGASA-N 2 0 330.476 1.948 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000578866113 448657171 /nfs/dbraw/zinc/65/71/71/448657171.db2.gz IVJOKUXPRFIOTN-QGZVFWFLSA-N 2 0 344.459 1.578 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2C1 ZINC000573694164 448693315 /nfs/dbraw/zinc/69/33/15/448693315.db2.gz TXNCHIGQEZKHQH-GFCCVEGCSA-N 2 0 330.432 1.073 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000518918776 448720830 /nfs/dbraw/zinc/72/08/30/448720830.db2.gz HMXSNGOBVUCZHJ-UHFFFAOYSA-N 2 0 345.491 1.194 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)C(C)C ZINC000519383757 448763624 /nfs/dbraw/zinc/76/36/24/448763624.db2.gz AKPIYNORAYQRAI-UHFFFAOYSA-N 2 0 333.480 1.769 20 0 EDADRP C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000519044034 448734912 /nfs/dbraw/zinc/73/49/12/448734912.db2.gz XOZKSKGQALOFRK-WMLDXEAASA-N 2 0 334.464 1.643 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000573902738 448740108 /nfs/dbraw/zinc/74/01/08/448740108.db2.gz DLOUSDSVYWUCII-WOJBJXKFSA-N 2 0 349.494 1.829 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000579369610 448779752 /nfs/dbraw/zinc/77/97/52/448779752.db2.gz HLEVDKUWOGTNFU-BDXSIMOUSA-N 2 0 327.513 1.263 20 0 EDADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000574071282 448785806 /nfs/dbraw/zinc/78/58/06/448785806.db2.gz CQYMOSBPRLMIRE-QAPCUYQASA-N 2 0 328.497 1.786 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000529314761 448818200 /nfs/dbraw/zinc/81/82/00/448818200.db2.gz HUGOZCXIQYZLNX-RDJZCZTQSA-N 2 0 346.475 1.457 20 0 EDADRP Cc1cnc([C@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000546043590 448818782 /nfs/dbraw/zinc/81/87/82/448818782.db2.gz BYOQNMNEEUGBPX-CYBMUJFWSA-N 2 0 341.525 1.690 20 0 EDADRP O=C1C[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1 ZINC000568163394 448824916 /nfs/dbraw/zinc/82/49/16/448824916.db2.gz WKBLBYOTAQJVQN-INIZCTEOSA-N 2 0 327.428 1.390 20 0 EDADRP O=C1C[C@@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1 ZINC000568163395 448825335 /nfs/dbraw/zinc/82/53/35/448825335.db2.gz WKBLBYOTAQJVQN-MRXNPFEDSA-N 2 0 327.428 1.390 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@@H]3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000568163648 448826328 /nfs/dbraw/zinc/82/63/28/448826328.db2.gz KNSJCJLTTPDADT-NUJGCVRESA-N 2 0 337.508 1.724 20 0 EDADRP CN(C(=O)N[C@H]1CCC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000579690745 448853127 /nfs/dbraw/zinc/85/31/27/448853127.db2.gz ALRDSPICMVMTLZ-KRWDZBQOSA-N 2 0 345.491 1.482 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000579702490 448856481 /nfs/dbraw/zinc/85/64/81/448856481.db2.gz WCQFMADHWOMPQS-MRXNPFEDSA-N 2 0 339.455 1.181 20 0 EDADRP CCN(CC)C(=O)CCC1CC[NH+](C[C@H](O)C[N@H+](C)CC)CC1 ZINC000574462295 448880015 /nfs/dbraw/zinc/88/00/15/448880015.db2.gz CWRDWISILMAMOZ-QGZVFWFLSA-N 2 0 327.513 1.660 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585095 448911035 /nfs/dbraw/zinc/91/10/35/448911035.db2.gz SLLYAXIKDURAEZ-RDJZCZTQSA-N 2 0 331.460 1.746 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000568547632 448887747 /nfs/dbraw/zinc/88/77/47/448887747.db2.gz XELBLVGPMUCOMB-UXHICEINSA-N 2 0 343.471 1.178 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589144040 448976453 /nfs/dbraw/zinc/97/64/53/448976453.db2.gz AGMKHGDMUPYMAX-OALUTQOASA-N 2 0 342.487 1.990 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569337551 449006184 /nfs/dbraw/zinc/00/61/84/449006184.db2.gz GOMUVAVGGXPUBT-ARFHVFGLSA-N 2 0 327.517 1.170 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000582176208 449029481 /nfs/dbraw/zinc/02/94/81/449029481.db2.gz HWXUYGYNVBBXDD-WSTZPKSXSA-N 2 0 349.519 1.568 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C[C@H](C)[N@H+]1C ZINC000521974562 449032887 /nfs/dbraw/zinc/03/28/87/449032887.db2.gz HZIARWHNVIDSET-YYIAUSFCSA-N 2 0 338.496 1.364 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1cccs1 ZINC000592955028 449075149 /nfs/dbraw/zinc/07/51/49/449075149.db2.gz IBDNAZYMYGKEIO-OCCSQVGLSA-N 2 0 347.488 1.813 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956835 449077467 /nfs/dbraw/zinc/07/74/67/449077467.db2.gz ZPQBCXQLRFMNKN-WBVHZDCISA-N 2 0 341.459 1.752 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000575401779 449089514 /nfs/dbraw/zinc/08/95/14/449089514.db2.gz MQHBOVYJFKEAHC-JYJNAYRXSA-N 2 0 340.512 1.245 20 0 EDADRP CN(C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000530238899 449090602 /nfs/dbraw/zinc/09/06/02/449090602.db2.gz PMPDYVYRIZMDSA-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604182371 449186977 /nfs/dbraw/zinc/18/69/77/449186977.db2.gz DDJFPXCLMJAWCO-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCC3CC[NH+](CC4CC4)CC3)c21 ZINC000595985256 449298601 /nfs/dbraw/zinc/29/86/01/449298601.db2.gz YZLRVVZAXIHQRS-INIZCTEOSA-N 2 0 345.491 1.571 20 0 EDADRP CCOC(=O)CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000594052443 449340049 /nfs/dbraw/zinc/34/00/49/449340049.db2.gz XNELVMAJEGMRHE-UHFFFAOYSA-N 2 0 339.480 1.393 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(I)cc1 ZINC000600724606 449519506 /nfs/dbraw/zinc/51/95/06/449519506.db2.gz BWJPCADOOLYYEJ-UHFFFAOYSA-N 2 0 348.228 1.959 20 0 EDADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000596654942 449588690 /nfs/dbraw/zinc/58/86/90/449588690.db2.gz RTSBBMIYORNJDI-CHWSQXEVSA-N 2 0 336.436 1.633 20 0 EDADRP CCN(C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617554421 449685063 /nfs/dbraw/zinc/68/50/63/449685063.db2.gz BKJSNLUBZBWUNX-IBGZPJMESA-N 2 0 344.503 1.995 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000602586754 449688434 /nfs/dbraw/zinc/68/84/34/449688434.db2.gz UNYAEEANPCCKSZ-CQSZACIVSA-N 2 0 325.453 1.134 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000594919865 449807390 /nfs/dbraw/zinc/80/73/90/449807390.db2.gz CQMVFBDYZZOXLC-IAOVAPTHSA-N 2 0 347.459 1.265 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000617764136 449824346 /nfs/dbraw/zinc/82/43/46/449824346.db2.gz KOFMDLBHXWRQKJ-IBGZPJMESA-N 2 0 346.519 1.508 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595008229 449839683 /nfs/dbraw/zinc/83/96/83/449839683.db2.gz STEVEEHRECDVJL-JKSUJKDBSA-N 2 0 327.513 1.970 20 0 EDADRP COC(=O)CCCC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000599276610 449851648 /nfs/dbraw/zinc/85/16/48/449851648.db2.gz BZNLXICGQBJRMD-CALCHBBNSA-N 2 0 325.497 1.820 20 0 EDADRP CN1CCN(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000612939887 449947994 /nfs/dbraw/zinc/94/79/94/449947994.db2.gz DMPNNKTVZFWBLC-APWZRJJASA-N 2 0 330.476 1.639 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)Cc1ccccc1 ZINC000612867566 449917845 /nfs/dbraw/zinc/91/78/45/449917845.db2.gz BRMPYIODOBOMER-HKUYNNGSSA-N 2 0 332.492 1.991 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000612966916 449961447 /nfs/dbraw/zinc/96/14/47/449961447.db2.gz VJLYCMAHPXYPSK-JKSUJKDBSA-N 2 0 334.439 1.870 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)[C@@H]1CCOC1 ZINC000595341286 450054040 /nfs/dbraw/zinc/05/40/40/450054040.db2.gz VGFQHEWBDIALNI-KZNAEPCWSA-N 2 0 325.497 1.138 20 0 EDADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCC(=O)OC ZINC000599660263 450136114 /nfs/dbraw/zinc/13/61/14/450136114.db2.gz LGXMMUSBGIORDW-CQSZACIVSA-N 2 0 335.448 1.248 20 0 EDADRP CN(C)c1c(C[NH2+]CCCN2CC[NH+](C)CC2)ccc(F)c1F ZINC000623343419 450501243 /nfs/dbraw/zinc/50/12/43/450501243.db2.gz RRIPVPMJWAMWTM-UHFFFAOYSA-N 2 0 326.435 1.758 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)n2)CC1 ZINC000625883790 450527611 /nfs/dbraw/zinc/52/76/11/450527611.db2.gz QNXBENAMMKUHPF-HDICACEKSA-N 2 0 346.479 1.613 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)cn1 ZINC000625939546 450538519 /nfs/dbraw/zinc/53/85/19/450538519.db2.gz CUDLWAONCYZENV-UHFFFAOYSA-N 2 0 344.419 1.571 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000625943974 450539352 /nfs/dbraw/zinc/53/93/52/450539352.db2.gz BHUAUIWAMBQURJ-CVEARBPZSA-N 2 0 330.432 1.917 20 0 EDADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000623618217 450552309 /nfs/dbraw/zinc/55/23/09/450552309.db2.gz HZUOHIJQYSWYOL-HNNXBMFYSA-N 2 0 345.472 1.635 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000626076450 450569533 /nfs/dbraw/zinc/56/95/33/450569533.db2.gz NCFAWCUKGJANEQ-FZDIXFNVSA-N 2 0 327.472 1.931 20 0 EDADRP CN(c1ccccc1C[NH2+]CCN1CC[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000623758463 450578459 /nfs/dbraw/zinc/57/84/59/450578459.db2.gz BQTBTCUQWFFOJT-LJQANCHMSA-N 2 0 346.519 1.373 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000623758929 450578938 /nfs/dbraw/zinc/57/89/38/450578938.db2.gz SMHFRCFFVBLKHR-LJQANCHMSA-N 2 0 346.519 1.375 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[NH2+]1 ZINC000621160103 450607238 /nfs/dbraw/zinc/60/72/38/450607238.db2.gz YZJOALUCKSBAKB-HOTGVXAUSA-N 2 0 325.522 1.660 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000633092119 450676296 /nfs/dbraw/zinc/67/62/96/450676296.db2.gz MVLNOQMDWAAUEC-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)C1(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000631645381 450692909 /nfs/dbraw/zinc/69/29/09/450692909.db2.gz OXUXIIMBGMAGOJ-UHFFFAOYSA-N 2 0 333.542 1.710 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1C ZINC000631674008 450705026 /nfs/dbraw/zinc/70/50/26/450705026.db2.gz CVLZAPLEOUKSSW-LUKYLMHMSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1cncc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629553509 450731778 /nfs/dbraw/zinc/73/17/78/450731778.db2.gz WLCFUMVZIQVURK-KRWDZBQOSA-N 2 0 340.475 1.902 20 0 EDADRP Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000629560836 450735720 /nfs/dbraw/zinc/73/57/20/450735720.db2.gz XKVBEBUJTFLTMW-IBGZPJMESA-N 2 0 345.487 1.646 20 0 EDADRP COc1ccc(Cn2nc(C)c(C[N@H+](C)CCOCC[NH3+])c2C)cc1 ZINC000629666567 450775436 /nfs/dbraw/zinc/77/54/36/450775436.db2.gz STQMRCQTEHSATB-UHFFFAOYSA-N 2 0 346.475 1.964 20 0 EDADRP CCCC[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631806491 450788216 /nfs/dbraw/zinc/78/82/16/450788216.db2.gz HSUFZPGENHHMRY-UHFFFAOYSA-N 2 0 331.526 1.656 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)CC[C@H]3CCC[NH2+]C3)ccn2)CC1 ZINC000621647587 450811813 /nfs/dbraw/zinc/81/18/13/450811813.db2.gz KYHKVUABFHYIKI-MRXNPFEDSA-N 2 0 345.491 1.229 20 0 EDADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000635286775 450817065 /nfs/dbraw/zinc/81/70/65/450817065.db2.gz GNTHJFNJCFPLRW-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828236 450800980 /nfs/dbraw/zinc/80/09/80/450800980.db2.gz JNWNPTPUMSXJKA-QGZVFWFLSA-N 2 0 327.432 1.647 20 0 EDADRP Cn1c2cc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)ccc2oc1=O ZINC000631828393 450801476 /nfs/dbraw/zinc/80/14/76/450801476.db2.gz NYPNCFRXAGZIKY-QAPCUYQASA-N 2 0 345.443 1.850 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)o1 ZINC000633481430 450873176 /nfs/dbraw/zinc/87/31/76/450873176.db2.gz NDDJQZXXWJPDQN-OAHLLOKOSA-N 2 0 337.464 1.698 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000631938829 450896623 /nfs/dbraw/zinc/89/66/23/450896623.db2.gz NFYXPCNHXGOWMV-MRXNPFEDSA-N 2 0 329.510 1.124 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012684 450967470 /nfs/dbraw/zinc/96/74/70/450967470.db2.gz WDKYYMWWAIHIBN-MAUKXSAKSA-N 2 0 345.491 1.534 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635469554 450969909 /nfs/dbraw/zinc/96/99/09/450969909.db2.gz ARISPVHNCRHFTO-CALCHBBNSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626921585 451005369 /nfs/dbraw/zinc/00/53/69/451005369.db2.gz DHXMCAWMEQMMMR-IRXDYDNUSA-N 2 0 330.476 1.743 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626975479 451045393 /nfs/dbraw/zinc/04/53/93/451045393.db2.gz UTEXYGAMSXLAOD-HNNXBMFYSA-N 2 0 340.512 1.694 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626955153 451032722 /nfs/dbraw/zinc/03/27/22/451032722.db2.gz VMXWWBXRQOESAU-RYQLBKOJSA-N 2 0 330.476 1.948 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635543285 451038976 /nfs/dbraw/zinc/03/89/76/451038976.db2.gz ORWULOGXSOGLOF-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H]3CC[NH2+][C@H]3C)CCCC2)CC1 ZINC000626972115 451042626 /nfs/dbraw/zinc/04/26/26/451042626.db2.gz XSFZAKOAKHQCCX-GOEBONIOSA-N 2 0 338.496 1.460 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635560043 451057403 /nfs/dbraw/zinc/05/74/03/451057403.db2.gz XSDMVOMQJMGYHR-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C[NH2+]1 ZINC000627011974 451077416 /nfs/dbraw/zinc/07/74/16/451077416.db2.gz NVBOMNGUORKQMP-ZTFGCOKTSA-N 2 0 346.475 1.193 20 0 EDADRP CCN(CC[NH3+])C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000627032205 451091246 /nfs/dbraw/zinc/09/12/46/451091246.db2.gz OOFZHFWIWCDRBZ-UHFFFAOYSA-N 2 0 334.464 1.650 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC[N@@H+]1C ZINC000632209332 451117812 /nfs/dbraw/zinc/11/78/12/451117812.db2.gz FIKYMLVRZJFLEG-FJIDUMEYSA-N 2 0 336.524 1.201 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000627113706 451130467 /nfs/dbraw/zinc/13/04/67/451130467.db2.gz INXRTXBATJNNDI-BRWVUGGUSA-N 2 0 328.460 1.716 20 0 EDADRP CN(CCC(=O)N1CCC([NH+]2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000628123783 451145584 /nfs/dbraw/zinc/14/55/84/451145584.db2.gz FJWCJJUVWORTKS-UHFFFAOYSA-N 2 0 332.448 1.231 20 0 EDADRP C[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]CCO1 ZINC000638085074 451250428 /nfs/dbraw/zinc/25/04/28/451250428.db2.gz JJXGVIZDFSYHES-HKUYNNGSSA-N 2 0 331.460 1.046 20 0 EDADRP C[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091645 451257403 /nfs/dbraw/zinc/25/74/03/451257403.db2.gz PGABUHWJUNSVPG-QAPCUYQASA-N 2 0 332.492 1.292 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)[NH+]2CCCC2)o1 ZINC000638095174 451259669 /nfs/dbraw/zinc/25/96/69/451259669.db2.gz ARUKIBRZIKOHFC-CRAIPNDOSA-N 2 0 335.448 1.597 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C2=CC[C@H]([NH3+])C2)c1 ZINC000638100680 451267625 /nfs/dbraw/zinc/26/76/25/451267625.db2.gz SAFGPGZQHNXKCA-KRWDZBQOSA-N 2 0 347.459 1.307 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C[C@@H]1C ZINC000638120663 451290401 /nfs/dbraw/zinc/29/04/01/451290401.db2.gz BKRDFNSLOAKKHW-QILLFSRXSA-N 2 0 333.476 1.896 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000638135381 451308974 /nfs/dbraw/zinc/30/89/74/451308974.db2.gz UENYKMBAONDUNB-CXHZTBPHSA-N 2 0 331.460 1.660 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000638136892 451310918 /nfs/dbraw/zinc/31/09/18/451310918.db2.gz OWTTWUOIMORXPM-IEBWSBKVSA-N 2 0 346.475 1.140 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000638161241 451329631 /nfs/dbraw/zinc/32/96/31/451329631.db2.gz QCZRXFJYBLUEMO-UHFFFAOYSA-N 2 0 325.412 1.851 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234036 451372955 /nfs/dbraw/zinc/37/29/55/451372955.db2.gz KGLICORZCCNAGA-PKOBYXMFSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630751594 451382510 /nfs/dbraw/zinc/38/25/10/451382510.db2.gz SOSHZEPMBBUFFI-HOTGVXAUSA-N 2 0 335.496 1.543 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000638261325 451385232 /nfs/dbraw/zinc/38/52/32/451385232.db2.gz DVZWHPWPBZQDPU-FUHWJXTLSA-N 2 0 327.472 1.723 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000634457331 451347823 /nfs/dbraw/zinc/34/78/23/451347823.db2.gz WHSDJDWNJBEDTH-PKOBYXMFSA-N 2 0 345.487 1.654 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638298600 451413709 /nfs/dbraw/zinc/41/37/09/451413709.db2.gz HSXRZRTUVJHFSK-UYAOXDASSA-N 2 0 345.487 1.865 20 0 EDADRP CC[C@H]1CN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638298594 451413911 /nfs/dbraw/zinc/41/39/11/451413911.db2.gz HSXRZRTUVJHFSK-AZUAARDMSA-N 2 0 345.487 1.865 20 0 EDADRP CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000638332926 451438522 /nfs/dbraw/zinc/43/85/22/451438522.db2.gz SNHYAPSFRUMYDO-SFHVURJKSA-N 2 0 344.503 1.566 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638352604 451454704 /nfs/dbraw/zinc/45/47/04/451454704.db2.gz NBQZJBXFLWSBRE-NCXUSEDFSA-N 2 0 339.524 1.575 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCNC(=O)C3)cc2)CC1 ZINC000638368290 451467437 /nfs/dbraw/zinc/46/74/37/451467437.db2.gz VEVIIWYZQYTYMT-GOSISDBHSA-N 2 0 330.476 1.192 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](OC)[C@H]3CCOC3)cn2)CC1 ZINC000638373931 451470276 /nfs/dbraw/zinc/47/02/76/451470276.db2.gz WOONQYIVENNKAZ-ZWKOTPCHSA-N 2 0 348.491 1.365 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386586 451479885 /nfs/dbraw/zinc/47/98/85/451479885.db2.gz NPLQHVAPLGKITD-XHSDSOJGSA-N 2 0 325.497 1.709 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc(C[NH3+])cc2F)c1 ZINC000638387856 451480981 /nfs/dbraw/zinc/48/09/81/451480981.db2.gz IVJGKBSUDFXNNH-KRWDZBQOSA-N 2 0 331.391 1.479 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000638339551 451443827 /nfs/dbraw/zinc/44/38/27/451443827.db2.gz MOYRDMFOVIFPBL-OKZBNKHCSA-N 2 0 347.459 1.440 20 0 EDADRP C[NH2+]CCCN(C)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638342638 451446605 /nfs/dbraw/zinc/44/66/05/451446605.db2.gz DCHZEAJZIWXLHA-UHFFFAOYSA-N 2 0 332.492 1.438 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638343952 451448031 /nfs/dbraw/zinc/44/80/31/451448031.db2.gz OPLHXSIWIABANL-GOSISDBHSA-N 3 0 344.503 1.438 20 0 EDADRP C[C@H](CCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000638410302 451497465 /nfs/dbraw/zinc/49/74/65/451497465.db2.gz YQCJVIIJYHWORO-QGZVFWFLSA-N 2 0 346.519 1.826 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=CC[C@@H]([NH3+])C2)cc1F ZINC000638414605 451500682 /nfs/dbraw/zinc/50/06/82/451500682.db2.gz RUDVITNEEJPJOM-YCPHGPKFSA-N 2 0 333.407 1.444 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000634724553 451506126 /nfs/dbraw/zinc/50/61/26/451506126.db2.gz SHVIGWZEOSXXOP-POAQFYNOSA-N 2 0 331.504 1.799 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638425115 451508478 /nfs/dbraw/zinc/50/84/78/451508478.db2.gz HSUBFDYYNAPKQB-KSZLIROESA-N 2 0 343.471 1.521 20 0 EDADRP C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1(C)C ZINC000636093665 451511319 /nfs/dbraw/zinc/51/13/19/451511319.db2.gz YFWFYXSXMFKGBP-HOTGVXAUSA-N 2 0 345.491 1.292 20 0 EDADRP Cc1nnsc1CNCc1cccc(OCCN2CCOCC2)c1 ZINC000638440304 451517815 /nfs/dbraw/zinc/51/78/15/451517815.db2.gz LMIBVHPMPDHUER-UHFFFAOYSA-N 2 0 348.472 1.847 20 0 EDADRP CO[C@H](C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H]1CCOC1 ZINC000638513468 451552955 /nfs/dbraw/zinc/55/29/55/451552955.db2.gz MDWYQOXPYGKQNV-QZTJIDSGSA-N 2 0 349.475 1.119 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000638530354 451561034 /nfs/dbraw/zinc/56/10/34/451561034.db2.gz SGMQKDWBWMDCIM-JKSUJKDBSA-N 2 0 335.521 1.862 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638555575 451574595 /nfs/dbraw/zinc/57/45/95/451574595.db2.gz YQJJQRWAAGINLA-DLBZAZTESA-N 2 0 334.508 1.884 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631064591 451563648 /nfs/dbraw/zinc/56/36/48/451563648.db2.gz LUKFTUFGAITYGI-UHFFFAOYSA-N 2 0 333.524 1.662 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638571118 451581911 /nfs/dbraw/zinc/58/19/11/451581911.db2.gz PDXYFEKCYBLWOO-WBVHZDCISA-N 2 0 339.528 1.170 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000638602063 451600777 /nfs/dbraw/zinc/60/07/77/451600777.db2.gz KIDCDMQBLXKFGD-QGZVFWFLSA-N 2 0 337.508 1.997 20 0 EDADRP O=c1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000631162242 451618025 /nfs/dbraw/zinc/61/80/25/451618025.db2.gz CCZDSXQSZCOKGN-UHFFFAOYSA-N 2 0 327.428 1.904 20 0 EDADRP CCC[C@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836164 451621227 /nfs/dbraw/zinc/62/12/27/451621227.db2.gz BSTYGCJDUNTWQT-RDJZCZTQSA-N 2 0 344.463 1.497 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3nccnc3c2)CC1 ZINC000634959446 451623496 /nfs/dbraw/zinc/62/34/96/451623496.db2.gz REWJQXYORUQRAB-UHFFFAOYSA-N 2 0 327.476 1.993 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCOCC1 ZINC000638669287 451642436 /nfs/dbraw/zinc/64/24/36/451642436.db2.gz QMWYXCSLQOJWSE-MAUKXSAKSA-N 2 0 326.481 1.519 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC000635005741 451648264 /nfs/dbraw/zinc/64/82/64/451648264.db2.gz JTQWMKJRRTZBCI-RHSMWYFYSA-N 2 0 347.484 1.945 20 0 EDADRP CO[C@@]1(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CCOC1 ZINC000638721360 451666056 /nfs/dbraw/zinc/66/60/56/451666056.db2.gz ZJYANIFCKHTPEB-GOSISDBHSA-N 2 0 341.496 1.008 20 0 EDADRP CC[C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+](CC)CC ZINC000638783473 451689905 /nfs/dbraw/zinc/68/99/05/451689905.db2.gz MCKRYAGCTLMRHG-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637079516 451712834 /nfs/dbraw/zinc/71/28/34/451712834.db2.gz YXQMKFYUNPLBMA-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638728992 451669082 /nfs/dbraw/zinc/66/90/82/451669082.db2.gz OOKKWHAVLCGFJL-INIZCTEOSA-N 2 0 325.497 1.853 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139403 451739311 /nfs/dbraw/zinc/73/93/11/451739311.db2.gz JYQAULOTGBSQBQ-SOUVJXGZSA-N 2 0 338.452 1.075 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCOC1 ZINC000638977016 451744400 /nfs/dbraw/zinc/74/44/00/451744400.db2.gz NVSGXLFPEVYVDF-GUDVDZBRSA-N 2 0 334.460 1.394 20 0 EDADRP Cc1nn(C)c(C)c1[C@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986327 451746993 /nfs/dbraw/zinc/74/69/93/451746993.db2.gz KQMCFERWFLFPSV-LBPRGKRZSA-N 2 0 342.447 1.584 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C[NH3+])c3ccccc32)cn1 ZINC000639063931 451760501 /nfs/dbraw/zinc/76/05/01/451760501.db2.gz LACKCOVUBKANQG-AWEZNQCLSA-N 2 0 327.432 1.538 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000641174822 451769127 /nfs/dbraw/zinc/76/91/27/451769127.db2.gz XBRAVMNVWKVQEU-QGZVFWFLSA-N 2 0 328.460 1.821 20 0 EDADRP C[NH2+]CC(=O)Nc1cccc(-c2cn(CC3CC[NH2+]CC3)nn2)c1 ZINC000641233665 451792086 /nfs/dbraw/zinc/79/20/86/451792086.db2.gz WKZKHFCDPIVGNI-UHFFFAOYSA-N 2 0 328.420 1.103 20 0 EDADRP CC(C)(C)[C@@]1(C[NH+]2C[C@H](O)[C@@H](O)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639347358 451838407 /nfs/dbraw/zinc/83/84/07/451838407.db2.gz ZJQYXVRTVZCDFS-BJLQDIEVSA-N 2 0 332.488 1.962 20 0 EDADRP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000644530935 451844454 /nfs/dbraw/zinc/84/44/54/451844454.db2.gz RESYDLPTBPFHCK-IEBWSBKVSA-N 2 0 333.520 1.941 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644562955 451864922 /nfs/dbraw/zinc/86/49/22/451864922.db2.gz JAYRUPDRBMMFBX-MOPGFXCFSA-N 2 0 349.519 1.516 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000653369476 451881521 /nfs/dbraw/zinc/88/15/21/451881521.db2.gz RYIBIMIDKRTOLR-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000637469278 451883949 /nfs/dbraw/zinc/88/39/49/451883949.db2.gz AASLZPMNXGUDQY-RDJZCZTQSA-N 2 0 338.496 1.149 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000649277998 451949196 /nfs/dbraw/zinc/94/91/96/451949196.db2.gz CAFRUWAWNONNRO-NVXWUHKLSA-N 2 0 347.459 1.184 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000649277997 451949269 /nfs/dbraw/zinc/94/92/69/451949269.db2.gz CAFRUWAWNONNRO-DOTOQJQBSA-N 2 0 347.459 1.184 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000649268400 451941258 /nfs/dbraw/zinc/94/12/58/451941258.db2.gz BGGXTAPPTXRPQO-HKUYNNGSSA-N 2 0 333.476 1.954 20 0 EDADRP c1nc2n(n1)[C@H](C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)CC2 ZINC000639575076 451952585 /nfs/dbraw/zinc/95/25/85/451952585.db2.gz ZJUNWLSPLYFEIH-KRWDZBQOSA-N 2 0 333.480 1.590 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646940609 451956550 /nfs/dbraw/zinc/95/65/50/451956550.db2.gz JAYOSJFVDOFMIO-ICSRJNTNSA-N 2 0 347.503 1.370 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649292576 451967618 /nfs/dbraw/zinc/96/76/18/451967618.db2.gz QTOKYLWODGFXQA-MSOLQXFVSA-N 2 0 333.476 1.292 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649295473 451970995 /nfs/dbraw/zinc/97/09/95/451970995.db2.gz OBXZVULXOSHPIP-OWCLPIDISA-N 2 0 348.495 1.300 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)([NH+](C)C)C1 ZINC000649304890 451981434 /nfs/dbraw/zinc/98/14/34/451981434.db2.gz LRZCUAHPTCKPPR-CPUCHLNUSA-N 2 0 334.468 1.053 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649305114 451981458 /nfs/dbraw/zinc/98/14/58/451981458.db2.gz FOPVCJVMYOBPHI-ICSRJNTNSA-N 2 0 345.487 1.926 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649310483 451987789 /nfs/dbraw/zinc/98/77/89/451987789.db2.gz MJKSCWOKIWDPOJ-HZPDHXFCSA-N 2 0 338.496 1.097 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@]2(N)CC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000649310090 451988007 /nfs/dbraw/zinc/98/80/07/451988007.db2.gz OXVWPSHGTNHNSL-MJGOQNOKSA-N 2 0 330.476 1.281 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000644800982 451997128 /nfs/dbraw/zinc/99/71/28/451997128.db2.gz DMGKWFHRGWOCBJ-UHFFFAOYSA-N 2 0 334.464 1.477 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321135 451999282 /nfs/dbraw/zinc/99/92/82/451999282.db2.gz MOUIQGWOWADIMJ-RTBURBONSA-N 2 0 343.471 1.046 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649321952 452002309 /nfs/dbraw/zinc/00/23/09/452002309.db2.gz ZJCLKTNNSHTKDR-BPQIPLTHSA-N 2 0 331.460 1.392 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1CC ZINC000649325190 452004973 /nfs/dbraw/zinc/00/49/73/452004973.db2.gz LVCHWRWRYWGYQK-ZIAGYGMSSA-N 2 0 333.423 1.191 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000637662156 452005141 /nfs/dbraw/zinc/00/51/41/452005141.db2.gz SJOMUASWSCLNJN-WMLDXEAASA-N 2 0 346.479 1.708 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000649326552 452006285 /nfs/dbraw/zinc/00/62/85/452006285.db2.gz BNEPLCWXYJLYNO-ZHEXZJMTSA-N 2 0 335.492 1.604 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CCCCC2)CCO1 ZINC000649329752 452010809 /nfs/dbraw/zinc/01/08/09/452010809.db2.gz FWTCWTLHPCQMAB-OAGGEKHMSA-N 2 0 335.492 1.667 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cnn1C ZINC000649332034 452013512 /nfs/dbraw/zinc/01/35/12/452013512.db2.gz RWNXPIABIJBVFS-NXHRZFHOSA-N 2 0 347.507 1.126 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(C)(C)C ZINC000649335770 452016739 /nfs/dbraw/zinc/01/67/39/452016739.db2.gz XWSBCBNEGTWEID-HIFRSBDPSA-N 2 0 336.484 1.126 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cnn1C ZINC000649341612 452020468 /nfs/dbraw/zinc/02/04/68/452020468.db2.gz LKWRDOMFRIUXHW-NXHRZFHOSA-N 2 0 347.507 1.364 20 0 EDADRP COC[C@@]1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000649347029 452030602 /nfs/dbraw/zinc/03/06/02/452030602.db2.gz BACASPSKOFBIOT-QFBILLFUSA-N 2 0 333.476 1.782 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363801 452043114 /nfs/dbraw/zinc/04/31/14/452043114.db2.gz ODXZUBQYRRJUOS-QZTJIDSGSA-N 2 0 336.524 1.252 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721336 452046572 /nfs/dbraw/zinc/04/65/72/452046572.db2.gz ZRRCTQMPQVPZAW-PKOBYXMFSA-N 2 0 348.491 1.181 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C1CC[NH2+]CC1 ZINC000647090346 452054488 /nfs/dbraw/zinc/05/44/88/452054488.db2.gz XTQOGSQEGAAISI-ZTFGCOKTSA-N 2 0 337.508 1.757 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393446 452062204 /nfs/dbraw/zinc/06/22/04/452062204.db2.gz OOJDFMOBYULREW-ZWKOTPCHSA-N 2 0 336.524 1.663 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000649417738 452080497 /nfs/dbraw/zinc/08/04/97/452080497.db2.gz CORKFRYQAQJYKT-HZPDHXFCSA-N 2 0 333.480 1.687 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCCC[NH2+]Cc2cccnc2)c1 ZINC000637806727 452092450 /nfs/dbraw/zinc/09/24/50/452092450.db2.gz MSKDIFKSHXBYAH-QGZVFWFLSA-N 2 0 328.416 1.386 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc3cnccc3o2)(N2CCOCC2)CC1 ZINC000651830167 452103000 /nfs/dbraw/zinc/10/30/00/452103000.db2.gz BOZRDCXJMMKJRW-UHFFFAOYSA-N 2 0 344.459 1.714 20 0 EDADRP Cc1[nH]c2ncnc(N3CCN([C@@H]4CCC[N@@H+](C)C4)CC3)c2c1C ZINC000645174265 452192581 /nfs/dbraw/zinc/19/25/81/452192581.db2.gz RQLUNKYXNMASQM-OAHLLOKOSA-N 2 0 328.464 1.791 20 0 EDADRP C[C@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000645200819 452207906 /nfs/dbraw/zinc/20/79/06/452207906.db2.gz HWMHSFNXXLUIEQ-YOEHRIQHSA-N 2 0 344.507 1.400 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)C1 ZINC000645226319 452221978 /nfs/dbraw/zinc/22/19/78/452221978.db2.gz PZBRJDYGLYAZPV-ZWKOTPCHSA-N 2 0 331.460 1.666 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC000641745748 452233500 /nfs/dbraw/zinc/23/35/00/452233500.db2.gz ZMUKXRRTESHRIQ-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP Nc1cnccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000641763337 452241177 /nfs/dbraw/zinc/24/11/77/452241177.db2.gz ZQBOAJUXBHTRJA-UHFFFAOYSA-N 2 0 326.444 1.781 20 0 EDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479028 452242924 /nfs/dbraw/zinc/24/29/24/452242924.db2.gz MYLBRWVEYRYHGI-TXPKVOOTSA-N 2 0 331.460 1.993 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1(C)C ZINC000641769615 452243958 /nfs/dbraw/zinc/24/39/58/452243958.db2.gz WDVSSTUVADUBTP-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657458676 452261292 /nfs/dbraw/zinc/26/12/92/452261292.db2.gz HRFGSTPXVQQDIC-CZUORRHYSA-N 2 0 349.460 1.075 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663554164 452263376 /nfs/dbraw/zinc/26/33/76/452263376.db2.gz QZPAZVJJZBFLCI-ULQDDVLXSA-N 2 0 340.512 1.611 20 0 EDADRP O=S(=O)(Nc1ccccc1)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000647538263 452270507 /nfs/dbraw/zinc/27/05/07/452270507.db2.gz KMOGYQMAGRXKKM-KRWDZBQOSA-N 2 0 337.489 1.892 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000659432832 452278417 /nfs/dbraw/zinc/27/84/17/452278417.db2.gz QDFKAJKKVXSXQK-MRXNPFEDSA-N 2 0 348.495 1.006 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641805449 452282458 /nfs/dbraw/zinc/28/24/58/452282458.db2.gz OESHCYCSWKPDDP-GJZGRUSLSA-N 2 0 341.477 1.031 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000659452454 452302505 /nfs/dbraw/zinc/30/25/05/452302505.db2.gz BZIGZLVSCBKGQB-HNNXBMFYSA-N 2 0 334.464 1.568 20 0 EDADRP C[C@@H](CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000663586524 452312301 /nfs/dbraw/zinc/31/23/01/452312301.db2.gz XUVJUSLTOCTBQL-HNNXBMFYSA-N 2 0 336.480 1.766 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000638049331 452317690 /nfs/dbraw/zinc/31/76/90/452317690.db2.gz CVJRSEBFMXMOKB-JENIJYKNSA-N 2 0 331.460 1.707 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000665763446 452345251 /nfs/dbraw/zinc/34/52/51/452345251.db2.gz AXCOSIFKIRNWMF-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652154894 452347032 /nfs/dbraw/zinc/34/70/32/452347032.db2.gz QTVIRVMPDWFEMM-IAGOWNOFSA-N 2 0 340.512 1.648 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000638058308 452347877 /nfs/dbraw/zinc/34/78/77/452347877.db2.gz ARFMEALPNPRUIT-RKVPGOIHSA-N 2 0 349.475 1.181 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)cn1 ZINC000638064789 452365206 /nfs/dbraw/zinc/36/52/06/452365206.db2.gz XACVAPRCRGAZJT-UHFFFAOYSA-N 2 0 343.406 1.469 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCCC[NH2+]1 ZINC000638069528 452374781 /nfs/dbraw/zinc/37/47/81/452374781.db2.gz QAMQNAYFCGRUEL-FUHWJXTLSA-N 2 0 325.497 1.772 20 0 EDADRP COc1ncncc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657613228 452391029 /nfs/dbraw/zinc/39/10/29/452391029.db2.gz JHQYCROAZFDPMU-UHFFFAOYSA-N 2 0 327.432 1.882 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079354 452395635 /nfs/dbraw/zinc/39/56/35/452395635.db2.gz SMIXFGGDAIPPIQ-ROUUACIJSA-N 2 0 332.492 1.292 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659577559 452432370 /nfs/dbraw/zinc/43/23/70/452432370.db2.gz SRAPVESYKLTEFE-KZNAEPCWSA-N 2 0 330.476 1.868 20 0 EDADRP CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC([NH3+])C1 ZINC000659580838 452434915 /nfs/dbraw/zinc/43/49/15/452434915.db2.gz GAUDFJYASDLMAD-UXTNIJRTSA-N 2 0 338.402 1.541 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000659587980 452443425 /nfs/dbraw/zinc/44/34/25/452443425.db2.gz BAUREEFKOROCCU-SQNIBIBYSA-N 2 0 346.450 1.807 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000645473517 452443669 /nfs/dbraw/zinc/44/36/69/452443669.db2.gz RHJAEOXTEDQGLJ-HXUWFJFHSA-N 2 0 345.487 1.655 20 0 EDADRP C[C@@H](C(=O)N[C@@H](CO)C[NH+](C)C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000647710559 452446040 /nfs/dbraw/zinc/44/60/40/452446040.db2.gz FKFJFIPPPWHXPX-QFBILLFUSA-N 2 0 347.503 1.368 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000659603245 452459334 /nfs/dbraw/zinc/45/93/34/452459334.db2.gz XVKWQZFZUIMHIC-SJLPKXTDSA-N 2 0 349.523 1.083 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645512474 452479741 /nfs/dbraw/zinc/47/97/41/452479741.db2.gz HVOQVZKHGAQCAJ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000659623584 452480145 /nfs/dbraw/zinc/48/01/45/452480145.db2.gz GAOAIIHPYYYGDA-OAHLLOKOSA-N 2 0 335.452 1.295 20 0 EDADRP C[C@@H](Cc1cccc(O)c1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663781867 452511473 /nfs/dbraw/zinc/51/14/73/452511473.db2.gz DIIBBIYJUFRJLT-HNNXBMFYSA-N 2 0 336.480 1.506 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647786394 452521055 /nfs/dbraw/zinc/52/10/55/452521055.db2.gz OFDLNFHSTCKJOG-AKHDSKFASA-N 2 0 343.519 1.570 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)(N2CCCCC2)CC1 ZINC000647788679 452522327 /nfs/dbraw/zinc/52/23/27/452522327.db2.gz ONPJNSGKQIBMAE-GBESFXJTSA-N 3 0 334.552 1.914 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361901 452542758 /nfs/dbraw/zinc/54/27/58/452542758.db2.gz SDYFFHHQNBFEIZ-BRWVUGGUSA-N 2 0 335.492 1.652 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363572 452545628 /nfs/dbraw/zinc/54/56/28/452545628.db2.gz IFBPJFGDEJVHNR-UJMXGEILSA-N 3 0 347.503 1.278 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663831457 452558356 /nfs/dbraw/zinc/55/83/56/452558356.db2.gz UBYPHXDWTYBHNE-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000659699357 452583856 /nfs/dbraw/zinc/58/38/56/452583856.db2.gz RNZWUNHHBQGUSR-JKSUJKDBSA-N 2 0 340.512 1.104 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666150875 452643830 /nfs/dbraw/zinc/64/38/30/452643830.db2.gz CCUAGPRZMQXOIE-UHFFFAOYSA-N 2 0 333.480 1.497 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc2c([nH]c1=O)CCCC2 ZINC000650266441 452645912 /nfs/dbraw/zinc/64/59/12/452645912.db2.gz AICOXTHUOHNSDP-UHFFFAOYSA-N 2 0 349.479 1.623 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000657969234 452649021 /nfs/dbraw/zinc/64/90/21/452649021.db2.gz KPFMCOCFLHVJDN-YJBOKZPZSA-N 2 0 329.448 1.413 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655911446 452667992 /nfs/dbraw/zinc/66/79/92/452667992.db2.gz JJHDBRWRVMFZJF-ZIAGYGMSSA-N 2 0 344.381 1.840 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCc1ccccc1C[NH+]1CCCC1)C(F)(F)F ZINC000655913125 452673592 /nfs/dbraw/zinc/67/35/92/452673592.db2.gz SBEFUUCAHGVGLE-AWEZNQCLSA-N 2 0 344.381 1.971 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000664006674 452708295 /nfs/dbraw/zinc/70/82/95/452708295.db2.gz KHDNPYSVDBMPHS-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000661954222 452714173 /nfs/dbraw/zinc/71/41/73/452714173.db2.gz WANGODIVNANKDT-KRWDZBQOSA-N 2 0 338.496 1.225 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975675 452720779 /nfs/dbraw/zinc/72/07/79/452720779.db2.gz DMTWYGOKKLJCEP-ULQDDVLXSA-N 2 0 325.497 1.629 20 0 EDADRP COc1ccc(COCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000647985870 452729245 /nfs/dbraw/zinc/72/92/45/452729245.db2.gz QLTVICQHAAYQFR-KRWDZBQOSA-N 2 0 334.460 1.899 20 0 EDADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000659850801 452734865 /nfs/dbraw/zinc/73/48/65/452734865.db2.gz BGSXOUBJEXZUOI-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000655970994 452751419 /nfs/dbraw/zinc/75/14/19/452751419.db2.gz PRBPGEHEWHLQRO-XLNGHYISSA-N 2 0 338.496 1.255 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658146936 452755320 /nfs/dbraw/zinc/75/53/20/452755320.db2.gz WOMIFPUHFLZNBQ-APWZRJJASA-N 2 0 347.503 1.990 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118707 452835945 /nfs/dbraw/zinc/83/59/45/452835945.db2.gz ZGTDKPFGCSJJFK-JYJNAYRXSA-N 2 0 345.491 1.279 20 0 EDADRP C[C@H](NC(=O)[C@@H]1[NH2+]CC1(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000645839501 452837755 /nfs/dbraw/zinc/83/77/55/452837755.db2.gz PSELZYDKTWUZSL-GUYCJALGSA-N 2 0 348.466 1.753 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654729494 452848244 /nfs/dbraw/zinc/84/82/44/452848244.db2.gz UAFUBLMAMGXHFO-IAGOWNOFSA-N 3 0 339.528 1.138 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)C1CCCCC1 ZINC000652700161 452849244 /nfs/dbraw/zinc/84/92/44/452849244.db2.gz MBCSYVGJGWIENF-MRXNPFEDSA-N 2 0 338.496 1.001 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[N@@H+]2C2CC2)c1 ZINC000648161578 452872531 /nfs/dbraw/zinc/87/25/31/452872531.db2.gz NBAMYTHYGXMXMP-MTHXSQLBSA-N 2 0 341.455 1.555 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C2)C1 ZINC000662140545 452875965 /nfs/dbraw/zinc/87/59/65/452875965.db2.gz INMHNJPWIJVLSO-QUCCMNQESA-N 2 0 342.487 1.998 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000659975190 452880781 /nfs/dbraw/zinc/88/07/81/452880781.db2.gz VNKDHFPFHKOUHM-HDICACEKSA-N 2 0 339.524 1.672 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C1CCC([NH3+])CC1 ZINC000648175912 452886417 /nfs/dbraw/zinc/88/64/17/452886417.db2.gz DNAWCETZOICHKL-VLWBHCEFSA-N 2 0 347.507 1.779 20 0 EDADRP Cc1cc(NCCN(C)CCC[NH+](C)C)nc(-c2ccncc2)n1 ZINC000664248170 452927848 /nfs/dbraw/zinc/92/78/48/452927848.db2.gz XIRTUCOBXFAZNI-UHFFFAOYSA-N 2 0 328.464 1.564 20 0 EDADRP C[C@@]1(c2cccc(F)c2)CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000650708611 452945773 /nfs/dbraw/zinc/94/57/73/452945773.db2.gz HCOPAQLVSPAUNC-DNVCBOLYSA-N 2 0 333.451 1.986 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977878 452964538 /nfs/dbraw/zinc/96/45/38/452964538.db2.gz MIYIOTVAGMHEMP-HKUYNNGSSA-N 2 0 344.503 1.751 20 0 EDADRP C([C@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000662276464 453001668 /nfs/dbraw/zinc/00/16/68/453001668.db2.gz JBIXPKRWDCSCFN-JKSUJKDBSA-N 2 0 345.491 1.705 20 0 EDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1 ZINC000662276457 453002440 /nfs/dbraw/zinc/00/24/40/453002440.db2.gz JBIXPKRWDCSCFN-CVEARBPZSA-N 2 0 345.491 1.705 20 0 EDADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000662274112 453002730 /nfs/dbraw/zinc/00/27/30/453002730.db2.gz DGMSFBRSJAOTSV-KRWDZBQOSA-N 2 0 337.489 1.559 20 0 EDADRP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662283651 453007855 /nfs/dbraw/zinc/00/78/55/453007855.db2.gz COAMOMRQYQSORV-INIZCTEOSA-N 2 0 341.377 1.833 20 0 EDADRP Cc1nc(N(C)CC2C[NH+](C)C2)c(N(C)CC2C[NH+](C)C2)nc1C ZINC000664332757 453009432 /nfs/dbraw/zinc/00/94/32/453009432.db2.gz XUTVUIXCKHBWGN-UHFFFAOYSA-N 2 0 332.496 1.089 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291829 453014577 /nfs/dbraw/zinc/01/45/77/453014577.db2.gz ADZIKEWQCMMTQY-AABGKKOBSA-N 3 0 331.504 1.629 20 0 EDADRP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)cn1 ZINC000662292275 453014884 /nfs/dbraw/zinc/01/48/84/453014884.db2.gz CVAHYHYKCWDOKI-RDJZCZTQSA-N 2 0 331.464 1.237 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295566 453018853 /nfs/dbraw/zinc/01/88/53/453018853.db2.gz GWPCOOOVLRWTOO-QGZVFWFLSA-N 2 0 325.497 1.631 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2c3ccccc3CC[C@H]2C[NH3+])CC1 ZINC000662304495 453024738 /nfs/dbraw/zinc/02/47/38/453024738.db2.gz KQEYHJTZNDWZMJ-SFHVURJKSA-N 2 0 344.503 1.756 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662313606 453030821 /nfs/dbraw/zinc/03/08/21/453030821.db2.gz JJHPXZUOZMIKDY-TVFCKZIOSA-N 2 0 337.508 1.996 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000654920307 453035504 /nfs/dbraw/zinc/03/55/04/453035504.db2.gz LAYFLFOHPDLPDL-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000654923369 453038115 /nfs/dbraw/zinc/03/81/15/453038115.db2.gz MRVREXDDBQIUDF-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP Cn1nccc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328151 453048313 /nfs/dbraw/zinc/04/83/13/453048313.db2.gz ZIGLVPDQYYQJQC-UHFFFAOYSA-N 2 0 328.464 1.990 20 0 EDADRP Cc1csc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)n1 ZINC000662336761 453054173 /nfs/dbraw/zinc/05/41/73/453054173.db2.gz GMBUAVLQWUZAFA-AWEZNQCLSA-N 2 0 346.504 1.964 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000662338644 453055783 /nfs/dbraw/zinc/05/57/83/453055783.db2.gz NSCGUFCUKVXJGS-LSDHHAIUSA-N 2 0 332.448 1.746 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)C3C[NH2+]C3)c(C)c2)CC1 ZINC000666676627 453060851 /nfs/dbraw/zinc/06/08/51/453060851.db2.gz FJTADINHTQHEGS-UHFFFAOYSA-N 2 0 331.464 1.572 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000666683611 453062202 /nfs/dbraw/zinc/06/22/02/453062202.db2.gz LGJUBWHWDCRVGH-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)CC1 ZINC000660151163 453082102 /nfs/dbraw/zinc/08/21/02/453082102.db2.gz PPKILIAPPABKHY-LJQANCHMSA-N 2 0 340.556 1.178 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662424388 453132876 /nfs/dbraw/zinc/13/28/76/453132876.db2.gz VIVJBALTZSBSEE-HNNXBMFYSA-N 2 0 345.491 1.871 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000666831398 453175598 /nfs/dbraw/zinc/17/55/98/453175598.db2.gz CIQQQUKVIBPONC-CZUORRHYSA-N 2 0 336.436 1.207 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000664537547 453176848 /nfs/dbraw/zinc/17/68/48/453176848.db2.gz OGUCXQFVBAKHRO-MRXNPFEDSA-N 2 0 339.528 1.184 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662527647 453248610 /nfs/dbraw/zinc/24/86/10/453248610.db2.gz XGVSWMWZXUXEPQ-LJQANCHMSA-N 2 0 344.503 1.611 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954588 453277643 /nfs/dbraw/zinc/27/76/43/453277643.db2.gz YKTZLTNOOLZTCR-XJKSGUPXSA-N 2 0 327.428 1.793 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000660416104 453289798 /nfs/dbraw/zinc/28/97/98/453289798.db2.gz CUJPQFDXWLEEBL-UHFFFAOYSA-N 2 0 340.449 1.598 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000653108276 453291385 /nfs/dbraw/zinc/29/13/85/453291385.db2.gz QEQAOWOVLSMHLN-GOSISDBHSA-N 2 0 332.492 1.089 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)c1 ZINC000653108991 453294092 /nfs/dbraw/zinc/29/40/92/453294092.db2.gz PAIWWBIQFVDWEM-ROUUACIJSA-N 2 0 331.460 1.774 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000653114001 453301411 /nfs/dbraw/zinc/30/14/11/453301411.db2.gz VLIBYXGSUTWXIS-AWEZNQCLSA-N 2 0 332.448 1.905 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576426 453303414 /nfs/dbraw/zinc/30/34/14/453303414.db2.gz XMIJSUFAXWRYLF-RDJZCZTQSA-N 2 0 340.431 1.135 20 0 EDADRP CC(C)[NH2+]CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662578584 453304671 /nfs/dbraw/zinc/30/46/71/453304671.db2.gz RTRKLLGSOVMSRI-UHFFFAOYSA-N 2 0 333.480 1.581 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)CC[N@@H+]1C ZINC000648857572 453334702 /nfs/dbraw/zinc/33/47/02/453334702.db2.gz FZLBTYGMDWMYMC-ATZDWAIDSA-N 2 0 345.487 1.600 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000664756839 453381392 /nfs/dbraw/zinc/38/13/92/453381392.db2.gz XWFUCVMYEBIECX-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192203 453382104 /nfs/dbraw/zinc/38/21/04/453382104.db2.gz ITRCBHQWEPOMQI-BSDSXHPESA-N 2 0 331.460 1.301 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662668941 453383074 /nfs/dbraw/zinc/38/30/74/453383074.db2.gz TZAZXAJWGKNKKP-WTXIUTQJSA-N 2 0 333.476 1.324 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000667067812 453383551 /nfs/dbraw/zinc/38/35/51/453383551.db2.gz WQHXZPRPGNKEMY-MRXNPFEDSA-N 2 0 344.459 1.261 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)CC3([NH3+])CC3)cc2)C[C@@H](C)O1 ZINC000662675092 453392381 /nfs/dbraw/zinc/39/23/81/453392381.db2.gz JEIAJNHSMYWFBA-HUUCEWRRSA-N 2 0 331.460 1.793 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000662694443 453414712 /nfs/dbraw/zinc/41/47/12/453414712.db2.gz WIQKZIHIBDQQJM-KURKYZTESA-N 2 0 331.460 1.521 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)n1 ZINC000667138260 453430125 /nfs/dbraw/zinc/43/01/25/453430125.db2.gz ZTHXCCNBJDDIHL-CVEARBPZSA-N 2 0 348.495 1.831 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000651295860 453443392 /nfs/dbraw/zinc/44/33/92/453443392.db2.gz QSGWFJMELWCKSJ-KURKYZTESA-N 2 0 335.492 1.334 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662749549 453480428 /nfs/dbraw/zinc/48/04/28/453480428.db2.gz JLRVYZBJHMDDSN-DZGCQCFKSA-N 2 0 333.398 1.719 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655444047 453531703 /nfs/dbraw/zinc/53/17/03/453531703.db2.gz ISZAVRPEVCZFEC-HKUYNNGSSA-N 2 0 331.460 1.633 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655444454 453532748 /nfs/dbraw/zinc/53/27/48/453532748.db2.gz WZLJLVKQOFQNLC-MJGOQNOKSA-N 2 0 328.460 1.552 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655446119 453534307 /nfs/dbraw/zinc/53/43/07/453534307.db2.gz CUUGORUDENVMHI-HLNWXESRSA-N 2 0 348.535 1.393 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000667293943 453540954 /nfs/dbraw/zinc/54/09/54/453540954.db2.gz UATVAZFHLQXIEW-SFHVURJKSA-N 2 0 347.507 1.006 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662831899 453558544 /nfs/dbraw/zinc/55/85/44/453558544.db2.gz SPOZIGCLRXGDOH-JLSDUUJJSA-N 2 0 329.444 1.791 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832156 453558563 /nfs/dbraw/zinc/55/85/63/453558563.db2.gz FMNJPGYNTDTYEA-DLBZAZTESA-N 2 0 325.497 1.711 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833559 453559432 /nfs/dbraw/zinc/55/94/32/453559432.db2.gz SEKOITNIQAMXDZ-KZNAEPCWSA-N 2 0 337.508 1.997 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000662834320 453561076 /nfs/dbraw/zinc/56/10/76/453561076.db2.gz ZHKNEDDDPIJVKH-QZTJIDSGSA-N 2 0 331.460 1.790 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@@H]2CCC[NH2+]2)cc1F ZINC000662870395 453581574 /nfs/dbraw/zinc/58/15/74/453581574.db2.gz GUHWIBDJUJFSMQ-ZOBUZTSGSA-N 2 0 349.450 1.928 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662877717 453584381 /nfs/dbraw/zinc/58/43/81/453584381.db2.gz FVXFNCKQEVFIGK-AWEZNQCLSA-N 2 0 330.388 1.782 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659032735 453590052 /nfs/dbraw/zinc/59/00/52/453590052.db2.gz GYFLTENBIMCQQU-KRWDZBQOSA-N 2 0 332.448 1.907 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899094 453593275 /nfs/dbraw/zinc/59/32/75/453593275.db2.gz BDGXCMIIVWDQSP-JENIJYKNSA-N 2 0 336.524 1.521 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)CCO1 ZINC000662973158 453631481 /nfs/dbraw/zinc/63/14/81/453631481.db2.gz OZMGDRYPCYIXSE-INIZCTEOSA-N 2 0 331.460 1.515 20 0 EDADRP CC(C)(C)CC(=O)N1CCC([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665290809 453637345 /nfs/dbraw/zinc/63/73/45/453637345.db2.gz LJADQNSZLVICHD-UHFFFAOYSA-N 2 0 335.452 1.158 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000663003137 453643434 /nfs/dbraw/zinc/64/34/34/453643434.db2.gz JYINMWQBERZIEW-KRWDZBQOSA-N 2 0 345.491 1.200 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000663003296 453643764 /nfs/dbraw/zinc/64/37/64/453643764.db2.gz LISKOHMVEKLLKM-HIFRSBDPSA-N 2 0 333.398 1.767 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000659114275 453645170 /nfs/dbraw/zinc/64/51/70/453645170.db2.gz MLIVSUJLGUAMQF-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000661010048 453679537 /nfs/dbraw/zinc/67/95/37/453679537.db2.gz OUICJDKDNAIWRG-YOEHRIQHSA-N 2 0 336.480 1.189 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000661036115 453689122 /nfs/dbraw/zinc/68/91/22/453689122.db2.gz DZRPKKNFZNOQGR-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349367 453724531 /nfs/dbraw/zinc/72/45/31/453724531.db2.gz FMDZTBWEWQLKTC-ZCTGUTNYSA-N 2 0 337.414 1.915 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351616 453725274 /nfs/dbraw/zinc/72/52/74/453725274.db2.gz JEPNZOTUCMZARL-ULQDDVLXSA-N 2 0 335.423 1.156 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc(-n2cccn2)nc1 ZINC000665574241 453754722 /nfs/dbraw/zinc/75/47/22/453754722.db2.gz KJUDDBQBZRNTEN-UHFFFAOYSA-N 2 0 345.451 1.272 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000661202247 453756273 /nfs/dbraw/zinc/75/62/73/453756273.db2.gz ZSSGPASBVARJAQ-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP c1nc(N[C@H]2CC[NH+](C3CC3)C2)cc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000663425751 453794705 /nfs/dbraw/zinc/79/47/05/453794705.db2.gz SDEHSIVJTJLOGD-KBPBESRZSA-N 2 0 328.464 1.774 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(Cc3nc4c(s3)C[NH2+]CC4)CC2)C1 ZINC000663495812 453810300 /nfs/dbraw/zinc/81/03/00/453810300.db2.gz BDAGEKHLTVUERU-UKRRQHHQSA-N 2 0 336.505 1.507 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000680012729 486695051 /nfs/dbraw/zinc/69/50/51/486695051.db2.gz VRUTXFILVZWQGQ-PKOBYXMFSA-N 2 0 345.487 1.688 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1(C)C[NH2+]C1 ZINC000382762543 486695587 /nfs/dbraw/zinc/69/55/87/486695587.db2.gz LXDDNCFQOZPXSP-KRWDZBQOSA-N 2 0 331.460 1.345 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000671740331 486738104 /nfs/dbraw/zinc/73/81/04/486738104.db2.gz KXFUJNOZMQUIDE-CQSZACIVSA-N 2 0 346.475 1.694 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(C)(C)C[NH+](C)C ZINC000672932729 486845347 /nfs/dbraw/zinc/84/53/47/486845347.db2.gz DVNXCFCPFAFYSJ-CQSZACIVSA-N 2 0 328.501 1.061 20 0 EDADRP CC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000683981337 486893867 /nfs/dbraw/zinc/89/38/67/486893867.db2.gz HZINELDMSZJFJV-UHFFFAOYSA-N 2 0 331.464 1.645 20 0 EDADRP CC[NH+]1CCN(c2nccnc2N2CC[N@@H+](CC)[C@@H](C)C2)C[C@@H]1C ZINC000680959629 486907823 /nfs/dbraw/zinc/90/78/23/486907823.db2.gz INQUNWJNHZGZPA-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320609938 486948688 /nfs/dbraw/zinc/94/86/88/486948688.db2.gz GMODBFDOHRFGGX-OAHLLOKOSA-N 2 0 333.398 1.863 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000667812555 486977652 /nfs/dbraw/zinc/97/76/52/486977652.db2.gz PYMMXJHWGZGVJQ-HZPDHXFCSA-N 2 0 347.507 1.389 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000667951217 487028300 /nfs/dbraw/zinc/02/83/00/487028300.db2.gz DOBMEOPMYNYOFA-LJQANCHMSA-N 2 0 345.487 1.662 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)nn1 ZINC000673599908 487068014 /nfs/dbraw/zinc/06/80/14/487068014.db2.gz BCJVVNBCIUIZEB-UHFFFAOYSA-N 2 0 342.491 1.693 20 0 EDADRP C[C@@H]1CC(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685469533 487280419 /nfs/dbraw/zinc/28/04/19/487280419.db2.gz LETDUPFXRFUHRI-MRXNPFEDSA-N 2 0 331.460 1.872 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531062324 487348299 /nfs/dbraw/zinc/34/82/99/487348299.db2.gz NXIADHBTVWDQJB-QFBILLFUSA-N 2 0 333.476 1.470 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000669521665 485491187 /nfs/dbraw/zinc/49/11/87/485491187.db2.gz DVQWTFZNPDWAIC-NXHRZFHOSA-N 2 0 346.475 1.327 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669552595 485546484 /nfs/dbraw/zinc/54/64/84/485546484.db2.gz CHBSHYLOFMBRKN-HLLBOEOZSA-N 2 0 334.464 1.265 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000669139228 485729811 /nfs/dbraw/zinc/72/98/11/485729811.db2.gz QJYWIZKXQZQVLL-IRXDYDNUSA-N 2 0 346.475 1.378 20 0 EDADRP C[C@@H]1CCC[C@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000672947043 485742153 /nfs/dbraw/zinc/74/21/53/485742153.db2.gz RKRFQPGPNNZBMN-CVEARBPZSA-N 2 0 340.512 1.023 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000669221000 485825108 /nfs/dbraw/zinc/82/51/08/485825108.db2.gz LRAHUPHCZUFXDP-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP Cc1ncc(CN(CC[NH+](C)C)CC(=O)N(C)C)n1-c1ccccc1 ZINC000668558811 485892352 /nfs/dbraw/zinc/89/23/52/485892352.db2.gz SMNMMTVPDDKDOW-UHFFFAOYSA-N 2 0 343.475 1.633 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])ccc2oc1=O ZINC000236990601 485949079 /nfs/dbraw/zinc/94/90/79/485949079.db2.gz FLSYBAUOKZVBNT-OLZOCXBDSA-N 2 0 332.404 1.222 20 0 EDADRP CN(C(=O)c1onc2c1CCCC2)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000668618709 485959805 /nfs/dbraw/zinc/95/98/05/485959805.db2.gz UDCINOHTBFQRPX-OAHLLOKOSA-N 2 0 346.475 1.794 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669366064 486013037 /nfs/dbraw/zinc/01/30/37/486013037.db2.gz VAAXHUJIARLCAC-YYIAUSFCSA-N 2 0 340.512 1.502 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000669389592 486025702 /nfs/dbraw/zinc/02/57/02/486025702.db2.gz ARBIICIYVQLOGE-UHFFFAOYSA-N 2 0 326.510 1.399 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672844051 486039328 /nfs/dbraw/zinc/03/93/28/486039328.db2.gz SRHDEQCIXLITBV-IYBDPMFKSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)NCC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000669454712 486209375 /nfs/dbraw/zinc/20/93/75/486209375.db2.gz ZNUSOKWBOGIQHQ-SFHVURJKSA-N 2 0 345.491 1.026 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669458575 486213741 /nfs/dbraw/zinc/21/37/41/486213741.db2.gz GXJFCCASXTZYHO-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669462468 486215853 /nfs/dbraw/zinc/21/58/53/486215853.db2.gz HHAGFQKKNBNAQE-KRWDZBQOSA-N 2 0 348.491 1.611 20 0 EDADRP CC(C)(CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000164922391 527107242 /nfs/dbraw/zinc/10/72/42/527107242.db2.gz QJSYGUUBFXIKKB-GOSISDBHSA-N 2 0 345.487 1.708 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000159118564 528236013 /nfs/dbraw/zinc/23/60/13/528236013.db2.gz VEFVOMNJBYMNBO-ROUUACIJSA-N 2 0 333.476 1.954 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000183903955 528537133 /nfs/dbraw/zinc/53/71/33/528537133.db2.gz KNBCBMBBCWWRRH-HNNXBMFYSA-N 2 0 338.452 1.030 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000155247608 529043163 /nfs/dbraw/zinc/04/31/63/529043163.db2.gz ZHMBFECVGOCUCR-INIZCTEOSA-N 2 0 330.476 1.651 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236781710 535116544 /nfs/dbraw/zinc/11/65/44/535116544.db2.gz SCUDKURVANGJBD-NVXWUHKLSA-N 2 0 325.497 1.485 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000345854996 535200139 /nfs/dbraw/zinc/20/01/39/535200139.db2.gz XYGVLTHPXATLLN-OTWHNJEPSA-N 2 0 339.524 1.264 20 0 EDADRP CC[NH+](CC)CCN(CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000262255959 535523193 /nfs/dbraw/zinc/52/31/93/535523193.db2.gz XGDZBGGZSKFNOT-UHFFFAOYSA-N 2 0 346.519 1.652 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339946987 535575033 /nfs/dbraw/zinc/57/50/33/535575033.db2.gz SCZSJRDUTYEWRD-IAGOWNOFSA-N 2 0 341.544 1.288 20 0 EDADRP CCC[C@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC000343851349 535578996 /nfs/dbraw/zinc/57/89/96/535578996.db2.gz OXGHPKNDTJNTNZ-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236939220 535691901 /nfs/dbraw/zinc/69/19/01/535691901.db2.gz WUGCAMBCVNHNSF-SQNIBIBYSA-N 2 0 336.524 1.441 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996093 535706029 /nfs/dbraw/zinc/70/60/29/535706029.db2.gz VMRJXJZBUDHUJU-JKSUJKDBSA-N 2 0 326.529 1.543 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1Cl ZINC000261863974 535907871 /nfs/dbraw/zinc/90/78/71/535907871.db2.gz NKLWLRICSOBCOR-UHFFFAOYSA-N 2 0 341.839 1.727 20 0 EDADRP CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCOC1 ZINC000347281634 535944826 /nfs/dbraw/zinc/94/48/26/535944826.db2.gz YLCAKNOIUPENPJ-CEXWTWQISA-N 2 0 347.503 1.680 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000262011865 536020022 /nfs/dbraw/zinc/02/00/22/536020022.db2.gz HOXWJKXQROKNHI-MRXNPFEDSA-N 2 0 325.478 1.544 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)CCSC1 ZINC000353327375 536142437 /nfs/dbraw/zinc/14/24/37/536142437.db2.gz NQHAIDMJRFSARF-YCPHGPKFSA-N 2 0 326.510 1.159 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000262823500 536560549 /nfs/dbraw/zinc/56/05/49/536560549.db2.gz XMSLQUZRNRWSFQ-ZOBUZTSGSA-N 2 0 341.496 1.088 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@H+](C)C1 ZINC000346007924 536775308 /nfs/dbraw/zinc/77/53/08/536775308.db2.gz IHDBEOWTAUGLIA-ZWKOTPCHSA-N 2 0 348.491 1.609 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000245888602 536913711 /nfs/dbraw/zinc/91/37/11/536913711.db2.gz BYALXSUEMMWYAL-ROUUACIJSA-N 2 0 346.475 1.834 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCCCCCO)CC2)C1 ZINC000743847076 579492259 /nfs/dbraw/zinc/49/22/59/579492259.db2.gz WMWMCFNCUXQYNX-IBGZPJMESA-N 2 0 341.540 1.656 20 0 EDADRP Cc1ccc(OCCN2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000728576864 578549179 /nfs/dbraw/zinc/54/91/79/578549179.db2.gz ULTNJLOWCYTBRX-UHFFFAOYSA-N 2 0 331.460 1.614 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000733157266 578744433 /nfs/dbraw/zinc/74/44/33/578744433.db2.gz XKHMAUAISUYUTD-UHFFFAOYSA-N 2 0 348.491 1.622 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733754974 578783649 /nfs/dbraw/zinc/78/36/49/578783649.db2.gz ZGAOWLFXTDDUNZ-CQSZACIVSA-N 2 0 328.526 1.046 20 0 EDADRP CC[C@@H]1CN(C(=S)NC[C@@H]2CCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000735247604 578871599 /nfs/dbraw/zinc/87/15/99/578871599.db2.gz XUGJQIYXBBYKMX-CVEARBPZSA-N 2 0 342.553 1.388 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000735883950 578932912 /nfs/dbraw/zinc/93/29/12/578932912.db2.gz QLKIAWGSDJPYRQ-UHFFFAOYSA-N 2 0 325.478 1.119 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000736768247 579018988 /nfs/dbraw/zinc/01/89/88/579018988.db2.gz BPLKELPZKXHNBE-UHFFFAOYSA-N 2 0 348.426 1.548 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000761550478 580059116 /nfs/dbraw/zinc/05/91/16/580059116.db2.gz OFVRNWYSHKBPRM-JKSUJKDBSA-N 2 0 342.553 1.436 20 0 EDADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000778224528 580459183 /nfs/dbraw/zinc/45/91/83/580459183.db2.gz CBTYJCNFZLHGBT-HOCLYGCPSA-N 2 0 327.469 1.290 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3CC4(CC3=O)CCOCC4)C2)CC1 ZINC000755777210 579934745 /nfs/dbraw/zinc/93/47/45/579934745.db2.gz AORQOKWCSFDSND-QGZVFWFLSA-N 2 0 335.492 1.637 20 0 EDADRP CCNS(=O)(=O)CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000772980430 580324697 /nfs/dbraw/zinc/32/46/97/580324697.db2.gz WQMYRSBMMJOSFQ-CQSZACIVSA-N 2 0 343.493 1.217 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)OC(=O)[C@H](C(C)C)N2CCCC2)CC1 ZINC000783777166 580606058 /nfs/dbraw/zinc/60/60/58/580606058.db2.gz OGZGIKQPYFSBCY-HOTGVXAUSA-N 2 0 339.480 1.203 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cn2)C1 ZINC000799304618 581024754 /nfs/dbraw/zinc/02/47/54/581024754.db2.gz XLIAIGMPXKOIPV-NVXWUHKLSA-N 2 0 325.428 1.687 20 0 EDADRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)c1 ZINC000891833807 590644928 /nfs/dbraw/zinc/64/49/28/590644928.db2.gz MYUPHHSOLJEAKF-UHFFFAOYSA-N 2 0 333.476 1.893 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H]1C[NH+](C)C ZINC000892031477 590760310 /nfs/dbraw/zinc/76/03/10/590760310.db2.gz WTRHOSMFWYWQKO-KZNAEPCWSA-N 2 0 347.507 1.067 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892040959 590767337 /nfs/dbraw/zinc/76/73/37/590767337.db2.gz PXIVVDCDUVWXET-INIZCTEOSA-N 2 0 326.485 1.447 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000892044481 590768671 /nfs/dbraw/zinc/76/86/71/590768671.db2.gz KUJBKLJTUOOWQX-WBVHZDCISA-N 2 0 334.464 1.090 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000893319649 590776627 /nfs/dbraw/zinc/77/66/27/590776627.db2.gz TZNYUHFWIHQPIR-UHFFFAOYSA-N 2 0 342.491 1.444 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C2)cc1 ZINC000892150694 590823136 /nfs/dbraw/zinc/82/31/36/590823136.db2.gz KQWOBCNBYIPCLO-CABCVRRESA-N 2 0 340.418 1.851 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000892188729 590855145 /nfs/dbraw/zinc/85/51/45/590855145.db2.gz SCOIQNJCDREGGZ-QBPKDAKJSA-N 2 0 343.475 1.690 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431148 590865233 /nfs/dbraw/zinc/86/52/33/590865233.db2.gz IRYJJXQDVXSXGV-DOTOQJQBSA-N 2 0 334.439 1.603 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000892211331 590865989 /nfs/dbraw/zinc/86/59/89/590865989.db2.gz WONDNDJHPPEANK-GOSISDBHSA-N 2 0 326.444 1.905 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)N[C@@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237401 590880077 /nfs/dbraw/zinc/88/00/77/590880077.db2.gz JGRADXAUOFXGTN-KURKYZTESA-N 2 0 330.476 1.725 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1F ZINC000892257988 590890931 /nfs/dbraw/zinc/89/09/31/590890931.db2.gz WOJUYYFBTKQOKK-YXWQFLTLSA-N 2 0 348.422 1.036 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892332633 590960233 /nfs/dbraw/zinc/96/02/33/590960233.db2.gz XBUXSVUKCADNAR-QGZVFWFLSA-N 2 0 330.476 1.958 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000892463847 591036414 /nfs/dbraw/zinc/03/64/14/591036414.db2.gz UNLXVTNDLBLJDC-UHFFFAOYSA-N 2 0 337.512 1.068 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891345147 591051985 /nfs/dbraw/zinc/05/19/85/591051985.db2.gz SXBDARDDMQMDRA-IRXDYDNUSA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)Cc1ccccc1 ZINC000891347862 591053502 /nfs/dbraw/zinc/05/35/02/591053502.db2.gz KYVFOWOZYFIUIA-KSZLIROESA-N 2 0 330.476 1.695 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000892530507 591059950 /nfs/dbraw/zinc/05/99/50/591059950.db2.gz PXIDVNCHCFUQFE-GOSISDBHSA-N 2 0 348.491 1.447 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000891385478 591066013 /nfs/dbraw/zinc/06/60/13/591066013.db2.gz OFNDWPCBMMUEAF-HZPDHXFCSA-N 2 0 338.496 1.176 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000891476898 591084771 /nfs/dbraw/zinc/08/47/71/591084771.db2.gz WCEHRXCLGMJSDA-KRWDZBQOSA-N 2 0 334.464 1.045 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891494154 591093408 /nfs/dbraw/zinc/09/34/08/591093408.db2.gz IJHSQHWAIZYCBL-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000891508551 591098741 /nfs/dbraw/zinc/09/87/41/591098741.db2.gz NQVNLRXXBARJAT-NJAFHUGGSA-N 2 0 330.476 1.682 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543383 591114313 /nfs/dbraw/zinc/11/43/13/591114313.db2.gz PUYYLSSFZFZFCU-HBFSDRIKSA-N 2 0 342.487 1.854 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)[NH+](C)C)c1 ZINC000891539366 591116317 /nfs/dbraw/zinc/11/63/17/591116317.db2.gz RUISJKWVGTYJKG-SZMVWBNQSA-N 2 0 346.475 1.643 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891576698 591132811 /nfs/dbraw/zinc/13/28/11/591132811.db2.gz NGIGUWPKCUDJCI-UPJWGTAASA-N 2 0 334.386 1.249 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000891577857 591133181 /nfs/dbraw/zinc/13/31/81/591133181.db2.gz ZPPHEPSMNUCUDP-MRXNPFEDSA-N 2 0 340.512 1.648 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000891575148 591134746 /nfs/dbraw/zinc/13/47/46/591134746.db2.gz JRODWOVMYQJMGG-HNNXBMFYSA-N 2 0 338.496 1.400 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000891596967 591142278 /nfs/dbraw/zinc/14/22/78/591142278.db2.gz IJAFJEYXAJNLIW-YLJYHZDGSA-N 2 0 342.487 1.669 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642850 591164341 /nfs/dbraw/zinc/16/43/41/591164341.db2.gz AALSZADIGDBCBT-DZJNRPSUSA-N 2 0 330.476 1.934 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000891644937 591165624 /nfs/dbraw/zinc/16/56/24/591165624.db2.gz BTTDQDXYGFCMJM-WUHRBBMRSA-N 2 0 336.402 1.638 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891672433 591178190 /nfs/dbraw/zinc/17/81/90/591178190.db2.gz ANCPRFRHBGSPOO-WFFHOREQSA-N 2 0 334.386 1.248 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000891694101 591187745 /nfs/dbraw/zinc/18/77/45/591187745.db2.gz IWNDQLIEDXTOTD-CABCVRRESA-N 2 0 326.485 1.181 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891704022 591193041 /nfs/dbraw/zinc/19/30/41/591193041.db2.gz NTIYKMYAKFYWEP-COXVUDFISA-N 2 0 329.448 1.363 20 0 EDADRP CN(C)c1cc(NCC2CC[NH+](CC(=O)NC(C)(C)C)CC2)ncn1 ZINC000892851076 591203627 /nfs/dbraw/zinc/20/36/27/591203627.db2.gz BGTKRQVVGLICOP-UHFFFAOYSA-N 2 0 348.495 1.581 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC(S(C)(=O)=O)C2)cc1 ZINC000892876374 591212135 /nfs/dbraw/zinc/21/21/35/591212135.db2.gz QSPIKDBQBIRMIJ-UHFFFAOYSA-N 2 0 340.489 1.682 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@@H](Nc3cc[nH+]cc3CO)C2)cc(OC)c1 ZINC000892881022 591213324 /nfs/dbraw/zinc/21/33/24/591213324.db2.gz OJPYDEAXHIBNJW-MRXNPFEDSA-N 2 0 343.427 1.699 20 0 EDADRP CN1CC[N@H+](CCCNc2cc[nH+]cc2CO)[C@H](c2ccccc2)C1 ZINC000891762373 591215141 /nfs/dbraw/zinc/21/51/41/591215141.db2.gz NAUZTYRKCWZKIW-FQEVSTJZSA-N 2 0 340.471 1.787 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891779004 591222122 /nfs/dbraw/zinc/22/21/22/591222122.db2.gz LUEBBIQCYGUXLI-OAHLLOKOSA-N 2 0 328.501 1.422 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232081 591238558 /nfs/dbraw/zinc/23/85/58/591238558.db2.gz BTGXNPJQJGPHCB-KANFNMMFSA-N 2 0 342.487 1.710 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H](O)CC3(CCOCC3)C2)cc1 ZINC000895722470 591261038 /nfs/dbraw/zinc/26/10/38/591261038.db2.gz WNQKHQNMDHCSJX-SFHVURJKSA-N 2 0 348.487 1.990 20 0 EDADRP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)cc(C(F)(F)F)n1 ZINC000895772224 591270190 /nfs/dbraw/zinc/27/01/90/591270190.db2.gz YLYBMVCYCKZFPR-MNOVXSKESA-N 2 0 344.385 1.727 20 0 EDADRP Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cnc1Br ZINC000841181435 591271994 /nfs/dbraw/zinc/27/19/94/591271994.db2.gz DPTUPMHMRYRRPZ-NSHDSACASA-N 2 0 342.241 1.259 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895858237 591289088 /nfs/dbraw/zinc/28/90/88/591289088.db2.gz KPNNWGMQQSPIAR-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+](C)CC[C@@H](Nc1cc(-n2cccn2)nc(N)[nH+]1)c1cccnc1 ZINC000895890622 591298330 /nfs/dbraw/zinc/29/83/30/591298330.db2.gz BONHFDWTDKTJNZ-CQSZACIVSA-N 2 0 338.419 1.744 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634657 591449667 /nfs/dbraw/zinc/44/96/67/591449667.db2.gz GLJBXJDJXQZJTH-AWEZNQCLSA-N 2 0 325.497 1.913 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNCc1cn(CC)nn1 ZINC000894910255 591470579 /nfs/dbraw/zinc/47/05/79/591470579.db2.gz WKWLTZHSZQLZAB-IEBWSBKVSA-N 2 0 343.475 1.925 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000897483682 591489661 /nfs/dbraw/zinc/48/96/61/591489661.db2.gz SNZWSDRQOWNUDZ-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CC1(C)COC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000895013020 591522113 /nfs/dbraw/zinc/52/21/13/591522113.db2.gz VXUYASSYRUZVPU-SFHVURJKSA-N 2 0 345.487 1.899 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899190030 591726094 /nfs/dbraw/zinc/72/60/94/591726094.db2.gz ZHBFFVPDCYCVEA-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCC(C)(C)CO1 ZINC000897114045 591744076 /nfs/dbraw/zinc/74/40/76/591744076.db2.gz PUXVCOMLWLPLSK-INIZCTEOSA-N 2 0 342.528 1.717 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895458180 591764435 /nfs/dbraw/zinc/76/44/35/591764435.db2.gz VEVKFFBWLACVJM-IAGOWNOFSA-N 2 0 347.459 1.644 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113725 591786146 /nfs/dbraw/zinc/78/61/46/591786146.db2.gz LGTDXPJCJJTNCI-QGZVFWFLSA-N 2 0 337.508 1.604 20 0 EDADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000895525888 591788970 /nfs/dbraw/zinc/78/89/70/591788970.db2.gz CRQMSAWHJMKAHA-LJQANCHMSA-N 2 0 343.471 1.442 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)cn21 ZINC000895533381 591791473 /nfs/dbraw/zinc/79/14/73/591791473.db2.gz HUBCHCDLAUMZOE-GOEBONIOSA-N 2 0 327.432 1.531 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000898102876 591798389 /nfs/dbraw/zinc/79/83/89/591798389.db2.gz PFQFBLPINAKPIQ-JYJNAYRXSA-N 2 0 325.497 1.625 20 0 EDADRP CCOC(=O)c1cc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)on1 ZINC000895558687 591801453 /nfs/dbraw/zinc/80/14/53/591801453.db2.gz ZDIVHJOWSDAHOO-CYBMUJFWSA-N 2 0 330.388 1.957 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)Nc1cnn(C)c1 ZINC000899463425 591813086 /nfs/dbraw/zinc/81/30/86/591813086.db2.gz DZZHEEDVMRRYJP-HNNXBMFYSA-N 2 0 338.525 1.465 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)CC[C@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000898186628 591827414 /nfs/dbraw/zinc/82/74/14/591827414.db2.gz SIPVROYVILAMQR-IXDOHACOSA-N 2 0 325.497 1.819 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC000898285087 591853235 /nfs/dbraw/zinc/85/32/35/591853235.db2.gz SCSKZNSCADMFFJ-PBHICJAKSA-N 2 0 339.505 1.902 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900019331 591870539 /nfs/dbraw/zinc/87/05/39/591870539.db2.gz ZLNZIQOMKZIETL-UYAOXDASSA-N 2 0 345.487 1.744 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900249641 591959032 /nfs/dbraw/zinc/95/90/32/591959032.db2.gz LJBYSHSEISWRTF-UHFFFAOYSA-N 2 0 328.460 1.863 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000902372183 591982051 /nfs/dbraw/zinc/98/20/51/591982051.db2.gz VWNDHQCHVYESRB-CVEARBPZSA-N 3 0 326.529 1.447 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902358174 591986247 /nfs/dbraw/zinc/98/62/47/591986247.db2.gz BLIFBPURCHOGKV-LSDHHAIUSA-N 2 0 332.496 1.855 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1 ZINC000902521429 592010240 /nfs/dbraw/zinc/01/02/40/592010240.db2.gz SQCGXELZRJJAOY-VXGBXAGGSA-N 2 0 339.871 1.782 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000900440093 592018929 /nfs/dbraw/zinc/01/89/29/592018929.db2.gz HQXVIDBZBAEFJF-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900530651 592048617 /nfs/dbraw/zinc/04/86/17/592048617.db2.gz YCVMUZPUFLSFCJ-FQEVSTJZSA-N 2 0 347.503 1.944 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900530697 592048645 /nfs/dbraw/zinc/04/86/45/592048645.db2.gz ZULBVZCWALURBG-IEBWSBKVSA-N 2 0 333.476 1.552 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C23CC[NH+](CC2)C3)c2ccccc2)CC1 ZINC000900544298 592052608 /nfs/dbraw/zinc/05/26/08/592052608.db2.gz SISRMMZYCRJBJU-SFHVURJKSA-N 2 0 342.487 1.187 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1COc2ccccc2C1 ZINC000902794703 592064910 /nfs/dbraw/zinc/06/49/10/592064910.db2.gz YHVLJCLWQIEUMF-CGTJXYLNSA-N 2 0 345.487 1.803 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@]2(O)CCC[NH+](C)C2)c1 ZINC000900651705 592081287 /nfs/dbraw/zinc/08/12/87/592081287.db2.gz IPLQGDCTKRQDDS-HXUWFJFHSA-N 2 0 347.503 1.990 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000900660224 592083727 /nfs/dbraw/zinc/08/37/27/592083727.db2.gz RXDBLNGHORAYHY-CVEARBPZSA-N 2 0 339.480 1.252 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761283 592109269 /nfs/dbraw/zinc/10/92/69/592109269.db2.gz QCHVSQIERKIHPI-QZTJIDSGSA-N 2 0 335.492 1.574 20 0 EDADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903091713 592121497 /nfs/dbraw/zinc/12/14/97/592121497.db2.gz ZBVPWTIPFGEQOY-WOJBJXKFSA-N 2 0 346.471 1.681 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cc3n(n1)CCC3)C2 ZINC000903113289 592122920 /nfs/dbraw/zinc/12/29/20/592122920.db2.gz VMJWDJYCHZCSFR-LRMKFPBYSA-N 2 0 332.492 1.960 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@H]3C)C2)[C@@H]1C(C)C ZINC000903122005 592123979 /nfs/dbraw/zinc/12/39/79/592123979.db2.gz WFUVWARVVVCJJD-CETDPJCDSA-N 2 0 335.536 1.929 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC000903432648 592168893 /nfs/dbraw/zinc/16/88/93/592168893.db2.gz IQPBTKVKXRNWNF-JKSUJKDBSA-N 2 0 337.489 1.510 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(Cc3nc4ccccc4c(=O)[nH]3)CC2)C1 ZINC000903441839 592172599 /nfs/dbraw/zinc/17/25/99/592172599.db2.gz CCELIXVVZRMDHD-LSDHHAIUSA-N 2 0 341.459 1.580 20 0 EDADRP Cc1cn2c(nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2=O)s1 ZINC000903454173 592173777 /nfs/dbraw/zinc/17/37/77/592173777.db2.gz WIQIDYIMHSNNAD-UONOGXRCSA-N 2 0 332.473 1.886 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000903493212 592185574 /nfs/dbraw/zinc/18/55/74/592185574.db2.gz PFPIPBNHZWWMMG-KHYOSLBOSA-N 2 0 341.411 1.653 20 0 EDADRP COC(=O)c1ccccc1C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493743 592186182 /nfs/dbraw/zinc/18/61/82/592186182.db2.gz WEKCCCWBOHPHII-IYOUNJFTSA-N 2 0 332.400 1.186 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cnc3ccccc3c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525989 592198130 /nfs/dbraw/zinc/19/81/30/592198130.db2.gz YPUJYUQKFPYKTQ-QUCCMNQESA-N 2 0 338.455 1.971 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2scnc2Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526527 592198333 /nfs/dbraw/zinc/19/83/33/592198333.db2.gz JYHXBALYDODQFZ-MFKMUULPSA-N 2 0 328.869 1.533 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000900995387 592200474 /nfs/dbraw/zinc/20/04/74/592200474.db2.gz LONSKCKYQJKXPR-KFWWJZLASA-N 2 0 337.464 1.003 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000901025816 592203326 /nfs/dbraw/zinc/20/33/26/592203326.db2.gz KWTNKUQTZFPYTB-POAQFYNOSA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)c2ccccc2O1 ZINC000901059810 592220004 /nfs/dbraw/zinc/22/00/04/592220004.db2.gz CWPXYHYFJJTFKP-HNAYVOBHSA-N 2 0 347.459 1.189 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906656408 592238190 /nfs/dbraw/zinc/23/81/90/592238190.db2.gz GIZGWWKJAFDMDN-AWEZNQCLSA-N 2 0 332.448 1.178 20 0 EDADRP C[C@@]1(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]C1 ZINC000904365135 592242146 /nfs/dbraw/zinc/24/21/46/592242146.db2.gz WWWSCIBXMYDJBE-VQIMIIECSA-N 2 0 331.460 1.646 20 0 EDADRP C[C@@]1(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CCC[NH2+]C1 ZINC000904366147 592242378 /nfs/dbraw/zinc/24/23/78/592242378.db2.gz FZMQOAALMHGPGP-CQSZACIVSA-N 2 0 339.452 1.230 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(N3CC[NH2+]CC3)o1)CC2 ZINC000904393506 592244118 /nfs/dbraw/zinc/24/41/18/592244118.db2.gz WDOYYLVFIHCQDC-INIZCTEOSA-N 3 0 334.464 1.019 20 0 EDADRP CC[C@@H](C(=O)NC[C@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC000907979066 592247099 /nfs/dbraw/zinc/24/70/99/592247099.db2.gz DEGJDKILPHLISC-MPGHIAIKSA-N 2 0 340.512 1.022 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000906665687 592248392 /nfs/dbraw/zinc/24/83/92/592248392.db2.gz CITSMLZCYTUTJO-HNNXBMFYSA-N 2 0 330.432 1.217 20 0 EDADRP [NH3+][C@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)CC[C@H]1C(F)(F)F ZINC000904388027 592248735 /nfs/dbraw/zinc/24/87/35/592248735.db2.gz AJYCDYHUBRQJIN-OLZOCXBDSA-N 2 0 332.370 1.401 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901133024 592251563 /nfs/dbraw/zinc/25/15/63/592251563.db2.gz AEPZKVFURIJHIQ-CHPDAQJUSA-N 2 0 349.519 1.820 20 0 EDADRP Oc1cc(F)c(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c(F)c1 ZINC000904434258 592256096 /nfs/dbraw/zinc/25/60/96/592256096.db2.gz UEJWYZPTBXASGF-NSHDSACASA-N 2 0 337.374 1.519 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906679489 592261387 /nfs/dbraw/zinc/26/13/87/592261387.db2.gz PFQUZOQXUIVCLK-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000904511566 592274835 /nfs/dbraw/zinc/27/48/35/592274835.db2.gz SLTIIIRHHIFQFZ-SJORKVTESA-N 2 0 332.448 1.469 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@]2(C)C1 ZINC000904524313 592278740 /nfs/dbraw/zinc/27/87/40/592278740.db2.gz MQCGQZCGAYLJDV-AYBZRNKSSA-N 2 0 344.459 1.763 20 0 EDADRP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H]1CCCC[NH2+]C1 ZINC000903718520 592280340 /nfs/dbraw/zinc/28/03/40/592280340.db2.gz OBBVBVZQVHUOJP-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000901233155 592296603 /nfs/dbraw/zinc/29/66/03/592296603.db2.gz KHGJHFCSLAMOAH-UHOSZYNNSA-N 2 0 331.460 1.395 20 0 EDADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739918 592302147 /nfs/dbraw/zinc/30/21/47/592302147.db2.gz BBRBSAKYUAULOM-LNLFQRSKSA-N 2 0 330.476 1.892 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4C[C@@H]5CC[C@H]4[NH2+]5)n3)c2)CC1 ZINC000904673925 592310526 /nfs/dbraw/zinc/31/05/26/592310526.db2.gz WQIGVHKRMKEREJ-NWANDNLSSA-N 2 0 340.431 1.491 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000908095487 592313016 /nfs/dbraw/zinc/31/30/16/592313016.db2.gz WTHGKBCOINLIND-HKUYNNGSSA-N 2 0 349.475 1.261 20 0 EDADRP c1ccc([C@]23COC[C@H]2C[N@@H+](C[C@H]2C[C@]4(CC[NH2+]C4)CO2)C3)cc1 ZINC000903784003 592321843 /nfs/dbraw/zinc/32/18/43/592321843.db2.gz IROJZZJYFDCGLP-ZRNYENFQSA-N 2 0 328.456 1.655 20 0 EDADRP FC(F)(F)c1ccnc([C@@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000903825692 592334634 /nfs/dbraw/zinc/33/46/34/592334634.db2.gz COKYROYNRQJBMK-NEPJUHHUSA-N 2 0 342.365 1.806 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903850487 592344979 /nfs/dbraw/zinc/34/49/79/592344979.db2.gz SAYSCPBRMVESMU-ZNMIVQPWSA-N 2 0 327.428 1.874 20 0 EDADRP Cc1ccnc(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)n1 ZINC000903870804 592353660 /nfs/dbraw/zinc/35/36/60/592353660.db2.gz JTXDHHHRQMNTLW-OALUTQOASA-N 2 0 340.471 1.895 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000903894955 592366228 /nfs/dbraw/zinc/36/62/28/592366228.db2.gz IRNVUIOUEXNOKP-IRXDYDNUSA-N 2 0 332.496 1.653 20 0 EDADRP COCCCOC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903894797 592366490 /nfs/dbraw/zinc/36/64/90/592366490.db2.gz DXULLYIBVXOZFN-MRXNPFEDSA-N 2 0 338.496 1.363 20 0 EDADRP CN(C[C@@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000903913517 592375951 /nfs/dbraw/zinc/37/59/51/592375951.db2.gz DNTBMPHZFXLMJE-DUVNUKRYSA-N 2 0 329.439 1.717 20 0 EDADRP C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2ccccc2C[NH2+]1 ZINC000903918986 592377459 /nfs/dbraw/zinc/37/74/59/592377459.db2.gz KAJOUEOWOACMEF-GOEBONIOSA-N 2 0 326.448 1.701 20 0 EDADRP CN(C[C@H]([NH3+])CC(F)F)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000903925023 592379221 /nfs/dbraw/zinc/37/92/21/592379221.db2.gz BPGHSHRSCCNVKS-WOSRLPQWSA-N 2 0 329.439 1.717 20 0 EDADRP COc1ccc2c(c1)OC[C@@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903925234 592379986 /nfs/dbraw/zinc/37/99/86/592379986.db2.gz CHUOVFNEWCIZNB-PBHICJAKSA-N 2 0 344.459 1.448 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)C2=O)n1 ZINC000903926492 592380874 /nfs/dbraw/zinc/38/08/74/592380874.db2.gz SVWQEYFSIGLWQZ-QGZVFWFLSA-N 2 0 339.443 1.351 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000903933880 592386211 /nfs/dbraw/zinc/38/62/11/592386211.db2.gz XOWVHSQDEYVZPT-IAGOWNOFSA-N 3 0 332.496 1.414 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nccn1-c1ccccc1)C2 ZINC000903977744 592399579 /nfs/dbraw/zinc/39/95/79/592399579.db2.gz YDCDABLXXGHBSB-KHYOSLBOSA-N 2 0 340.427 1.585 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098483 592404075 /nfs/dbraw/zinc/40/40/75/592404075.db2.gz SSYSUIKFJISLFR-AABGKKOBSA-N 2 0 348.487 1.043 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC000906891143 592408158 /nfs/dbraw/zinc/40/81/58/592408158.db2.gz XGSDQQJUQUUSJS-WMZOPIPTSA-N 2 0 339.524 1.660 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313628 592429101 /nfs/dbraw/zinc/42/91/01/592429101.db2.gz AFXOKRBUBPTEQO-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CCCO1 ZINC000905232332 592459746 /nfs/dbraw/zinc/45/97/46/592459746.db2.gz NKDDBDWUEWVKON-SJORKVTESA-N 2 0 328.497 1.381 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000905340087 592510982 /nfs/dbraw/zinc/51/09/82/592510982.db2.gz SVIJEBXRLKGYBX-MRXNPFEDSA-N 2 0 329.510 1.266 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)CC1 ZINC000908503358 592523139 /nfs/dbraw/zinc/52/31/39/592523139.db2.gz IMIQOUNZQQMXFA-KRWDZBQOSA-N 2 0 336.524 1.345 20 0 EDADRP COC[C@@H](C)OC[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000905533848 592554037 /nfs/dbraw/zinc/55/40/37/592554037.db2.gz MCUJBUKPPXAQAO-RZZCCWGQSA-N 2 0 328.497 1.786 20 0 EDADRP COc1nn(C)cc1C[NH2+]C[C@@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000905678285 592609648 /nfs/dbraw/zinc/60/96/48/592609648.db2.gz KBXRCOWGSBWKPU-OAHLLOKOSA-N 2 0 343.431 1.546 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000907501557 592676028 /nfs/dbraw/zinc/67/60/28/592676028.db2.gz BTRCAOOIPVSRNW-NSHGMRRFSA-N 2 0 345.487 1.468 20 0 EDADRP CN1C[C@H](O)C[C@]1(C)C(=O)Nc1ccc(OCC[NH+](C)C)c(F)c1 ZINC000909930202 592723093 /nfs/dbraw/zinc/72/30/93/592723093.db2.gz QMGZOMSLFMEUGW-CXAGYDPISA-N 2 0 339.411 1.160 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382105 592814005 /nfs/dbraw/zinc/81/40/05/592814005.db2.gz RDNRNZVTBBSWDR-IYBDPMFKSA-N 2 0 338.540 1.353 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)[C@@H]1c1cccnc1 ZINC000910420500 592860791 /nfs/dbraw/zinc/86/07/91/592860791.db2.gz BZYYNXCCXBDCSV-YTQUADARSA-N 2 0 346.475 1.037 20 0 EDADRP C[C@H]([NH3+])C1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCOCC1 ZINC000911636655 592961987 /nfs/dbraw/zinc/96/19/87/592961987.db2.gz QIXHIRXAAIUAKT-KRWDZBQOSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H](NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)[C@H]1CCC[NH2+]C1 ZINC000911727626 592989596 /nfs/dbraw/zinc/98/95/96/592989596.db2.gz YHOLKJSZQVZZJY-NTZNESFSSA-N 2 0 343.393 1.868 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911736320 592992895 /nfs/dbraw/zinc/99/28/95/592992895.db2.gz QJTVEFCAXYXBTG-USXIJHARSA-N 2 0 343.427 1.674 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911736634 592993252 /nfs/dbraw/zinc/99/32/52/592993252.db2.gz WGVRABXUJAVQMB-IKGGRYGDSA-N 2 0 343.427 1.389 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911746462 592996001 /nfs/dbraw/zinc/99/60/01/592996001.db2.gz UUHCKIKXNMFQKR-KMFMINBZSA-N 2 0 343.427 1.389 20 0 EDADRP C[NH2+]CCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911749028 592996827 /nfs/dbraw/zinc/99/68/27/592996827.db2.gz USRWTYZFGAEROW-UHFFFAOYSA-N 2 0 340.265 1.406 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911779006 593003449 /nfs/dbraw/zinc/00/34/49/593003449.db2.gz XVXCFLGOSAMXOE-CMPLNLGQSA-N 2 0 329.366 1.432 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000818537589 593703893 /nfs/dbraw/zinc/70/38/93/593703893.db2.gz WFSIVDNFYPLUSC-HNNXBMFYSA-N 2 0 331.416 1.532 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H](O)c2cccc(Cl)c2)C1 ZINC000819005232 593733622 /nfs/dbraw/zinc/73/36/22/593733622.db2.gz YYFZNCIJTDWDQF-GOEBONIOSA-N 2 0 339.867 1.550 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000819220266 593745125 /nfs/dbraw/zinc/74/51/25/593745125.db2.gz KZNOGIQZPWOLPQ-UKRRQHHQSA-N 2 0 327.469 1.502 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2c(F)cccc2F)CC1 ZINC000819387600 593753127 /nfs/dbraw/zinc/75/31/27/593753127.db2.gz BXTXLADZXPZEKP-INIZCTEOSA-N 2 0 327.419 1.614 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000820100567 593791168 /nfs/dbraw/zinc/79/11/68/593791168.db2.gz NWDTYZBYUYDJBI-NTZUZEMLSA-N 2 0 341.455 1.096 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869550 593911300 /nfs/dbraw/zinc/91/13/00/593911300.db2.gz WZHSHCSVEQQBCV-CABCVRRESA-N 2 0 346.418 1.618 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccnc(-n4ccnc4)c3)[C@@H]2C1 ZINC000824279325 593974754 /nfs/dbraw/zinc/97/47/54/593974754.db2.gz ROOYWQFKUCMHAM-JKSUJKDBSA-N 2 0 340.431 1.503 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)N1CC[NH+](C)CC1 ZINC000824568606 594040078 /nfs/dbraw/zinc/04/00/78/594040078.db2.gz AZKNGDIGUVZKHN-KBPBESRZSA-N 2 0 329.452 1.153 20 0 EDADRP [NH3+]CCCCCCC(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000825627259 594208652 /nfs/dbraw/zinc/20/86/52/594208652.db2.gz IGODDJWTLVFXIC-CVEARBPZSA-N 2 0 338.496 1.002 20 0 EDADRP O=C(C[NH+]1CCCC1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000823600277 594220366 /nfs/dbraw/zinc/22/03/66/594220366.db2.gz QIQBQYCTNRALIT-UHFFFAOYSA-N 2 0 331.460 1.226 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000829241672 594586433 /nfs/dbraw/zinc/58/64/33/594586433.db2.gz GPQWLUZMMGBQCT-UHFFFAOYSA-N 2 0 335.492 1.432 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2)CC1 ZINC000831490789 594641937 /nfs/dbraw/zinc/64/19/37/594641937.db2.gz PFSWUBSRKCGWEA-SFHVURJKSA-N 2 0 334.439 1.857 20 0 EDADRP CCO[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756754 594699978 /nfs/dbraw/zinc/69/99/78/594699978.db2.gz KYQBQTOFTXVRRB-ROUUACIJSA-N 2 0 348.491 1.377 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000841018147 594839980 /nfs/dbraw/zinc/83/99/80/594839980.db2.gz PXLWLNDBTFDAIY-QGZVFWFLSA-N 2 0 333.480 1.933 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000841018400 594840324 /nfs/dbraw/zinc/84/03/24/594840324.db2.gz VACOCGOEDUHTIB-MRXNPFEDSA-N 2 0 331.464 1.702 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000841924765 594982859 /nfs/dbraw/zinc/98/28/59/594982859.db2.gz COFZCXXAYLVCBR-UHFFFAOYSA-N 2 0 330.476 1.958 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000841926752 594983381 /nfs/dbraw/zinc/98/33/81/594983381.db2.gz DWTCFHMQLSONPH-ROUUACIJSA-N 2 0 330.476 1.719 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cc1 ZINC000841932073 594984782 /nfs/dbraw/zinc/98/47/82/594984782.db2.gz CLTXRWRQEHZNBI-GOSISDBHSA-N 2 0 330.476 1.958 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843205900 595034050 /nfs/dbraw/zinc/03/40/50/595034050.db2.gz UIKOTLVJGYEVFW-HNNXBMFYSA-N 2 0 342.447 1.568 20 0 EDADRP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846217852 595176507 /nfs/dbraw/zinc/17/65/07/595176507.db2.gz FUWDNUQZYJCBGJ-UHFFFAOYSA-N 2 0 348.491 1.913 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000837766157 595190745 /nfs/dbraw/zinc/19/07/45/595190745.db2.gz AENMJALMTCPFKJ-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000846333141 595208543 /nfs/dbraw/zinc/20/85/43/595208543.db2.gz ZAQLJICGKMWCGE-IRXDYDNUSA-N 2 0 346.475 1.011 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000844162567 595288156 /nfs/dbraw/zinc/28/81/56/595288156.db2.gz XKAODZWLKFVHLK-SFHVURJKSA-N 2 0 331.460 1.490 20 0 EDADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000844183105 595294921 /nfs/dbraw/zinc/29/49/21/595294921.db2.gz RJNKLWCVGQVYHN-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000844191675 595298371 /nfs/dbraw/zinc/29/83/71/595298371.db2.gz OSMMIFSMWAFUDX-OAHLLOKOSA-N 2 0 328.460 1.767 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(CC3CC[NH2+]CC3)n2)ccn1 ZINC000843192182 595302335 /nfs/dbraw/zinc/30/23/35/595302335.db2.gz SJCPWFPOTRPTRK-UHFFFAOYSA-N 2 0 331.420 1.614 20 0 EDADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219588 595305219 /nfs/dbraw/zinc/30/52/19/595305219.db2.gz LRSOQJUOBZHXGA-HNNXBMFYSA-N 2 0 332.448 1.132 20 0 EDADRP C[NH+]1CCC(NC(=S)N2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000848658692 595424135 /nfs/dbraw/zinc/42/41/35/595424135.db2.gz KUJDVDPVVIRAGY-INIZCTEOSA-N 2 0 340.537 1.142 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000848675684 595426625 /nfs/dbraw/zinc/42/66/25/595426625.db2.gz BVYSUIMHHNHVQH-IVMMDQJWSA-N 2 0 326.462 1.053 20 0 EDADRP CCC[NH+]1CCC(CNC(=[NH2+])N2CCN(c3ncccn3)CC2)CC1 ZINC000849066227 595477094 /nfs/dbraw/zinc/47/70/94/595477094.db2.gz JJHRELAINSSXFJ-UHFFFAOYSA-N 2 0 345.495 1.245 20 0 EDADRP COC[C@@H](C)NC(=[NH2+])NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000849101646 595482302 /nfs/dbraw/zinc/48/23/02/595482302.db2.gz ZBAADBPVYWOFTD-CQSZACIVSA-N 2 0 326.485 1.559 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCOCC(F)(F)C(F)F ZINC000849105517 595482685 /nfs/dbraw/zinc/48/26/85/595482685.db2.gz RPYVENJDIBPRSN-JTQLQIEISA-N 2 0 328.354 1.502 20 0 EDADRP CC[C@@H](C)NC(=[NH2+])NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000849109631 595483334 /nfs/dbraw/zinc/48/33/34/595483334.db2.gz BLWLKAGWPPSVJF-CQSZACIVSA-N 2 0 345.491 1.796 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000849276338 595499917 /nfs/dbraw/zinc/49/99/17/595499917.db2.gz HNTFFSREJPSNPU-JKSUJKDBSA-N 2 0 343.585 1.207 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849480963 595546963 /nfs/dbraw/zinc/54/69/63/595546963.db2.gz IKDZCTJVROGNAX-SJORKVTESA-N 2 0 335.496 1.302 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849486335 595548324 /nfs/dbraw/zinc/54/83/24/595548324.db2.gz GMVNWYXRAILDIK-ZWKOTPCHSA-N 2 0 347.507 1.444 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](CC3CC3)CC2)cn1 ZINC000849502971 595552716 /nfs/dbraw/zinc/55/27/16/595552716.db2.gz GJLGPAJSSUPNHF-QZTJIDSGSA-N 2 0 345.491 1.010 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849523867 595558651 /nfs/dbraw/zinc/55/86/51/595558651.db2.gz XSQZKGKGPZGSED-DLBZAZTESA-N 2 0 335.496 1.256 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@H]1CCC[N@H+](C)C1 ZINC000849552416 595563098 /nfs/dbraw/zinc/56/30/98/595563098.db2.gz FVGFLHOHKUWSGF-ULQDDVLXSA-N 2 0 333.480 1.008 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852857914 595578924 /nfs/dbraw/zinc/57/89/24/595578924.db2.gz JSBSSIWYUFRHOZ-ZFWWWQNUSA-N 2 0 349.397 1.288 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852858225 595580151 /nfs/dbraw/zinc/58/01/51/595580151.db2.gz VIKOXXIVMALZPB-MJGOQNOKSA-N 2 0 343.471 1.981 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)=NO1 ZINC000852863430 595584104 /nfs/dbraw/zinc/58/41/04/595584104.db2.gz OQYRNCOOXUSYGH-QGZVFWFLSA-N 2 0 344.459 1.782 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852865565 595585984 /nfs/dbraw/zinc/58/59/84/595585984.db2.gz ICORPJNNJFACOP-UHFFFAOYSA-N 2 0 331.460 1.596 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)c1cccc2c1C[NH2+]C2 ZINC000852871017 595589947 /nfs/dbraw/zinc/58/99/47/595589947.db2.gz JPGDOCPWHKIXQW-UHFFFAOYSA-N 2 0 338.411 1.703 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3cn[nH]c32)(N2CCOCC2)CC1 ZINC000857868809 595637275 /nfs/dbraw/zinc/63/72/75/595637275.db2.gz CZQJVTPBAWXRNA-MRXNPFEDSA-N 2 0 333.480 1.173 20 0 EDADRP Cn1cc(CNCCN2CC[N@H+](C)C(C)(C)C2)c(Br)n1 ZINC000858162318 595716216 /nfs/dbraw/zinc/71/62/16/595716216.db2.gz WWAUBVOIOGRZEV-UHFFFAOYSA-N 2 0 344.301 1.298 20 0 EDADRP CN(CCC[NH2+]Cc1cn(C)nc1Br)CC[NH+](C)C ZINC000858196097 595727028 /nfs/dbraw/zinc/72/70/28/595727028.db2.gz JGBORRBMQFXYOR-UHFFFAOYSA-N 2 0 332.290 1.156 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000851686799 595884833 /nfs/dbraw/zinc/88/48/33/595884833.db2.gz UBENXSUMJZIGSY-UHFFFAOYSA-N 2 0 338.496 1.095 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000856255920 595936827 /nfs/dbraw/zinc/93/68/27/595936827.db2.gz KELWQJLAFCFXFU-MAUKXSAKSA-N 2 0 341.471 1.257 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CCC(=O)O3)C2)ccn1 ZINC000856585151 596024021 /nfs/dbraw/zinc/02/40/21/596024021.db2.gz ZYKJIPAZPFGANL-IRXDYDNUSA-N 2 0 333.432 1.692 20 0 EDADRP CC(=O)NCCC[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856601022 596029829 /nfs/dbraw/zinc/02/98/29/596029829.db2.gz ZMFGATLTPYFMQC-IBGZPJMESA-N 2 0 348.491 1.901 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C[C@H]1C[NH3+] ZINC000866674088 596289147 /nfs/dbraw/zinc/28/91/47/596289147.db2.gz QSBVFJMANNXKID-HZPDHXFCSA-N 2 0 346.475 1.378 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870860660 596379668 /nfs/dbraw/zinc/37/96/68/596379668.db2.gz QRWWYDWWGDUFQR-UHFFFAOYSA-N 2 0 334.489 1.967 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867745 596383503 /nfs/dbraw/zinc/38/35/03/596383503.db2.gz KYUYEVARISVMTH-KGLIPLIRSA-N 2 0 334.489 1.967 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000870876577 596386715 /nfs/dbraw/zinc/38/67/15/596386715.db2.gz SKNGWFXMZIOHSK-CALCHBBNSA-N 3 0 345.491 1.227 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000870927112 596408655 /nfs/dbraw/zinc/40/86/55/596408655.db2.gz LSTQFQJWVRKEIQ-IYARVYRRSA-N 2 0 337.508 1.855 20 0 EDADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870934596 596411392 /nfs/dbraw/zinc/41/13/92/596411392.db2.gz CUIIVTHKIMPKNE-AWEZNQCLSA-N 2 0 340.265 1.907 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Cn1ccc(C)n1 ZINC000865090032 596470529 /nfs/dbraw/zinc/47/05/29/596470529.db2.gz VSUGOBKOSQRAML-SJLPKXTDSA-N 2 0 349.523 1.702 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865508196 596594046 /nfs/dbraw/zinc/59/40/46/596594046.db2.gz FZUGJFRVWAHWKI-UHFFFAOYSA-N 2 0 342.365 1.845 20 0 EDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865508588 596594332 /nfs/dbraw/zinc/59/43/32/596594332.db2.gz PEURZCCOICZURF-PWZRNIHTSA-N 2 0 327.469 1.288 20 0 EDADRP [NH3+]CCCOCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000863545888 596613878 /nfs/dbraw/zinc/61/38/78/596613878.db2.gz INTQARBTJDRWII-UHFFFAOYSA-N 2 0 335.448 1.743 20 0 EDADRP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000863544064 596613965 /nfs/dbraw/zinc/61/39/65/596613965.db2.gz KDEAXCCTNVFSHN-ZFWWWQNUSA-N 2 0 338.448 1.549 20 0 EDADRP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863551172 596615114 /nfs/dbraw/zinc/61/51/14/596615114.db2.gz ISMIFAUSNLQHPS-HZPDHXFCSA-N 2 0 341.496 1.822 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@@H](C)[NH2+]1 ZINC000867965655 596637698 /nfs/dbraw/zinc/63/76/98/596637698.db2.gz GUFMKOQHLQSRLC-GIPNMCIBSA-N 2 0 326.238 1.658 20 0 EDADRP C[C@]1(C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654281 596645214 /nfs/dbraw/zinc/64/52/14/596645214.db2.gz VSGFMXZOZGDSBD-RGHULWKBSA-N 2 0 345.409 1.717 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865773216 596678261 /nfs/dbraw/zinc/67/82/61/596678261.db2.gz JXHPBRWZJRSZQN-IAGOWNOFSA-N 2 0 342.443 1.455 20 0 EDADRP O=C1NCCN1Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865815886 596694802 /nfs/dbraw/zinc/69/48/02/596694802.db2.gz PQJOAAABHNTIFU-ROUUACIJSA-N 2 0 328.460 1.928 20 0 EDADRP C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCO1 ZINC000870016963 596708979 /nfs/dbraw/zinc/70/89/79/596708979.db2.gz CPCZLVOLMLSBGD-VQHPVUNQSA-N 2 0 325.497 1.389 20 0 EDADRP C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000870017113 596709506 /nfs/dbraw/zinc/70/95/06/596709506.db2.gz FYLSMIVZJPHGRO-KBAYOESNSA-N 2 0 332.492 1.773 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1C[NH+](C)C ZINC000870019210 596710737 /nfs/dbraw/zinc/71/07/37/596710737.db2.gz UMXPVMAKUXROJZ-IAGOWNOFSA-N 3 0 336.524 1.059 20 0 EDADRP CC(=O)C(C)(C)CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020344 596711572 /nfs/dbraw/zinc/71/15/72/596711572.db2.gz MXVMUUFKGCTZDY-HZPDHXFCSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C ZINC000870021639 596712011 /nfs/dbraw/zinc/71/20/11/596712011.db2.gz SAFBOSSVCUVPMW-HUUCEWRRSA-N 2 0 335.496 1.355 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)c(F)c(F)c2)C[C@H]1C[NH+](C)C ZINC000870022314 596712454 /nfs/dbraw/zinc/71/24/54/596712454.db2.gz RUEAYSHLQKVKPN-CHWSQXEVSA-N 2 0 343.393 1.915 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C[NH+](C)C ZINC000870023667 596713844 /nfs/dbraw/zinc/71/38/44/596713844.db2.gz HXJJKZWYCGEMFN-ZIAGYGMSSA-N 2 0 345.447 1.080 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000868184737 596714519 /nfs/dbraw/zinc/71/45/19/596714519.db2.gz XARIYTNQHSYQRK-JCGIZDLHSA-N 2 0 344.459 1.687 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCO3)C[C@H]1C[NH+](C)C ZINC000870025249 596714637 /nfs/dbraw/zinc/71/46/37/596714637.db2.gz OKOPYVUHTSIPEW-HUUCEWRRSA-N 2 0 333.432 1.227 20 0 EDADRP CN1CCn2nc(NC(=O)NCC[NH2+]C3CCCCCC3)cc2C1 ZINC000868203452 596722179 /nfs/dbraw/zinc/72/21/79/596722179.db2.gz DGYCYKJNBISGCA-UHFFFAOYSA-N 2 0 334.468 1.762 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[N@@H+]1C1CC1 ZINC000868231358 596736719 /nfs/dbraw/zinc/73/67/19/596736719.db2.gz DIIOCACUHYJMSE-QQDQCYIDSA-N 2 0 342.443 1.181 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868229928 596736780 /nfs/dbraw/zinc/73/67/80/596736780.db2.gz UMYKLPLRYLWIJE-JKSUJKDBSA-N 2 0 332.448 1.288 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242150 596741825 /nfs/dbraw/zinc/74/18/25/596741825.db2.gz DFILLRSBJDYGRR-XOKHGSTOSA-N 2 0 346.475 1.676 20 0 EDADRP C[C@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000870121499 596759888 /nfs/dbraw/zinc/75/98/88/596759888.db2.gz DYSXXWAMOWUSPI-IEBWSBKVSA-N 2 0 342.487 1.282 20 0 EDADRP COc1cccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866041231 596770159 /nfs/dbraw/zinc/77/01/59/596770159.db2.gz CXTXZKRYIBUMPX-IAGOWNOFSA-N 2 0 348.491 1.576 20 0 EDADRP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000872057769 596800065 /nfs/dbraw/zinc/80/00/65/596800065.db2.gz ICVPDYUYUWJNRL-IKGGRYGDSA-N 2 0 327.513 1.874 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000872142761 596808822 /nfs/dbraw/zinc/80/88/22/596808822.db2.gz CNLGHIKEAKPNIZ-ATIWLJMLSA-N 2 0 335.492 1.524 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868381875 596813767 /nfs/dbraw/zinc/81/37/67/596813767.db2.gz XIHDPIXYPBWVFN-SFHVURJKSA-N 2 0 340.512 1.009 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](COC(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC000870283499 596823064 /nfs/dbraw/zinc/82/30/64/596823064.db2.gz KIHIXHNRSYYWDT-OAHLLOKOSA-N 2 0 335.379 1.668 20 0 EDADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000872231318 596847276 /nfs/dbraw/zinc/84/72/76/596847276.db2.gz ILCNDMOMIFDVDC-ZNMIVQPWSA-N 2 0 327.469 1.336 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C(C)(C)C)n1 ZINC000872256222 596856496 /nfs/dbraw/zinc/85/64/96/596856496.db2.gz QUVVZLUINMMZRB-KFWWJZLASA-N 2 0 347.463 1.085 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000872256224 596856655 /nfs/dbraw/zinc/85/66/55/596856655.db2.gz MINYKPRLZRYUJE-XEKQOVJPSA-N 2 0 343.427 1.661 20 0 EDADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255969 596856673 /nfs/dbraw/zinc/85/66/73/596856673.db2.gz PILQBFLCFYKNBL-QWMDGAIUSA-N 2 0 343.427 1.575 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872285701 596867412 /nfs/dbraw/zinc/86/74/12/596867412.db2.gz CXKGWHJYTIWRFY-ZACQAIPSSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@@H](C)O1 ZINC000875667173 596939460 /nfs/dbraw/zinc/93/94/60/596939460.db2.gz JYPJXMNNAXEBQT-WRQOLXDDSA-N 2 0 340.512 1.181 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CS1 ZINC000875666910 596939681 /nfs/dbraw/zinc/93/96/81/596939681.db2.gz IMJIPBOYVTZWIR-YJNKXOJESA-N 2 0 328.526 1.261 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CC(C)=NO1 ZINC000875970881 597051988 /nfs/dbraw/zinc/05/19/88/597051988.db2.gz IDRABBBZMUTWLF-HZPDHXFCSA-N 2 0 339.484 1.209 20 0 EDADRP CC1=NO[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000875980338 597055313 /nfs/dbraw/zinc/05/53/13/597055313.db2.gz OGBVBCHSGUWHLE-HNNXBMFYSA-N 2 0 327.473 1.066 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)c1cccc(F)c1 ZINC000874433219 597076246 /nfs/dbraw/zinc/07/62/46/597076246.db2.gz WBHWNCASWRIPSF-BRWVUGGUSA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC12CCOCC2 ZINC000876144452 597110668 /nfs/dbraw/zinc/11/06/68/597110668.db2.gz DPWXCYWAAFZCRY-INIZCTEOSA-N 2 0 340.512 1.328 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000874838218 597192595 /nfs/dbraw/zinc/19/25/95/597192595.db2.gz OHXXMFPNZBPBFA-SJORKVTESA-N 2 0 335.492 1.717 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000874974551 597226970 /nfs/dbraw/zinc/22/69/70/597226970.db2.gz STKADCQSQSAVBS-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000876520326 597228922 /nfs/dbraw/zinc/22/89/22/597228922.db2.gz JFXLFYZNHCZDJD-YOEHRIQHSA-N 2 0 345.443 1.876 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521808 597229447 /nfs/dbraw/zinc/22/94/47/597229447.db2.gz XKSKTUBGPIOBTP-HNNXBMFYSA-N 2 0 345.443 1.924 20 0 EDADRP CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213547 597229764 /nfs/dbraw/zinc/22/97/64/597229764.db2.gz HKLXENNWRKPTPH-AWEZNQCLSA-N 2 0 347.406 1.894 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@@H]2CCC[C@H]21 ZINC000873245342 597237748 /nfs/dbraw/zinc/23/77/48/597237748.db2.gz ZFHLTVZCUYETCF-GBESFXJTSA-N 3 0 340.475 1.688 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875134608 597296607 /nfs/dbraw/zinc/29/66/07/597296607.db2.gz YATBCQIUUBRYSM-CEXWTWQISA-N 2 0 344.503 1.895 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000876719162 597303650 /nfs/dbraw/zinc/30/36/50/597303650.db2.gz DWLGSGJYGCXQPE-KBPBESRZSA-N 2 0 327.375 1.083 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)Cc1ccccc1 ZINC000876722472 597305640 /nfs/dbraw/zinc/30/56/40/597305640.db2.gz VWLLCGNQCGREOW-QGZVFWFLSA-N 2 0 343.475 1.562 20 0 EDADRP C[NH+](C)CCCCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000876725954 597307227 /nfs/dbraw/zinc/30/72/27/597307227.db2.gz RJTJFMUYAANSIO-ZDUSSCGKSA-N 2 0 328.254 1.907 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000876729675 597309930 /nfs/dbraw/zinc/30/99/30/597309930.db2.gz UNJZXUHEQQPFHZ-IAGOWNOFSA-N 2 0 345.491 1.816 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876744040 597318297 /nfs/dbraw/zinc/31/82/97/597318297.db2.gz LXNDIXMPTNLXSD-HNNXBMFYSA-N 2 0 336.505 1.371 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000876752264 597321712 /nfs/dbraw/zinc/32/17/12/597321712.db2.gz KJQNKJXAEZAVLX-OAHLLOKOSA-N 2 0 333.480 1.607 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876753357 597323087 /nfs/dbraw/zinc/32/30/87/597323087.db2.gz DMDBWEOQJMFCAA-NVXWUHKLSA-N 2 0 337.439 1.233 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000876781425 597338694 /nfs/dbraw/zinc/33/86/94/597338694.db2.gz LIBKFYMTCHNTDM-IIAWOOMASA-N 2 0 331.464 1.471 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876881560 597368628 /nfs/dbraw/zinc/36/86/28/597368628.db2.gz JSNCQFGHFQNLGI-HOTGVXAUSA-N 2 0 335.496 1.966 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876885112 597369355 /nfs/dbraw/zinc/36/93/55/597369355.db2.gz VIHSKKAFKZVAIS-HZPDHXFCSA-N 2 0 333.480 1.672 20 0 EDADRP CCOC(=O)N1CCC(C)(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000876966126 597400907 /nfs/dbraw/zinc/40/09/07/597400907.db2.gz NONYFMWDNJPEGA-OAHLLOKOSA-N 2 0 327.469 1.291 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCC(C)(C)O2)C[C@H]1C[NH+](C)C ZINC000875513392 597460914 /nfs/dbraw/zinc/46/09/14/597460914.db2.gz XNQVPXIDNDSKJR-BZUAXINKSA-N 2 0 340.512 1.325 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000877231663 597470503 /nfs/dbraw/zinc/47/05/03/597470503.db2.gz QEVALCHEGJZQJY-GOSISDBHSA-N 2 0 331.460 1.312 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000877355058 597499397 /nfs/dbraw/zinc/49/93/97/597499397.db2.gz GDACGBVWNUEOAQ-KHQFGBGNSA-N 2 0 333.276 1.124 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000877372057 597503861 /nfs/dbraw/zinc/50/38/61/597503861.db2.gz YKMZHZXWZLAEBT-STQMWFEESA-N 2 0 327.350 1.078 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000877374362 597504106 /nfs/dbraw/zinc/50/41/06/597504106.db2.gz HGAXQFLJHRAIPJ-FXAWDEMLSA-N 2 0 342.487 1.510 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC000877407712 597511206 /nfs/dbraw/zinc/51/12/06/597511206.db2.gz VXMQDBNOATWFRH-HNNXBMFYSA-N 2 0 334.468 1.059 20 0 EDADRP Cn1ncc2cc(C[NH+]3CCC(C[NH+]4CCN(C)CC4)CC3)cnc21 ZINC000877525085 597530828 /nfs/dbraw/zinc/53/08/28/597530828.db2.gz QALLDVRKNXVMBF-UHFFFAOYSA-N 2 0 342.491 1.428 20 0 EDADRP Cn1nc2c(c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CCCC2 ZINC000877669927 597546521 /nfs/dbraw/zinc/54/65/21/597546521.db2.gz DNNFDOGAOYXXCU-HZPDHXFCSA-N 2 0 333.524 1.470 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@@H]2CCc3ccccc32)CC1 ZINC000878168738 597583739 /nfs/dbraw/zinc/58/37/39/597583739.db2.gz GEHAWWDPWVWLPW-GOSISDBHSA-N 2 0 331.460 1.179 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc([S@](C)=O)cc1 ZINC000878375792 597598379 /nfs/dbraw/zinc/59/83/79/597598379.db2.gz JRMMYWPCZOKZHF-ZLOXQWCVSA-N 2 0 337.489 1.285 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879591826 597648109 /nfs/dbraw/zinc/64/81/09/597648109.db2.gz UKZFFWSYAUDSLU-LJQANCHMSA-N 2 0 347.503 1.447 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000881634857 597667399 /nfs/dbraw/zinc/66/73/99/597667399.db2.gz FZTKIBDNESRFLF-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccccc3C(N)=O)C2)CC1 ZINC000878866453 597738932 /nfs/dbraw/zinc/73/89/32/597738932.db2.gz LDIWJBLHKOAJGO-UHFFFAOYSA-N 2 0 330.432 1.142 20 0 EDADRP C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883586355 597814522 /nfs/dbraw/zinc/81/45/22/597814522.db2.gz KDAFCWLKRVXWTI-JJRVBVJISA-N 2 0 331.464 1.828 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586321 597814689 /nfs/dbraw/zinc/81/46/89/597814689.db2.gz JCBKFVIXDZLTRJ-MSOLQXFVSA-N 2 0 343.475 1.926 20 0 EDADRP CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@H]1CC[NH2+]C1 ZINC000883586773 597815188 /nfs/dbraw/zinc/81/51/88/597815188.db2.gz SAJYZJYYJSGXHR-ZWKOTPCHSA-N 2 0 343.475 1.797 20 0 EDADRP COCC[N@@H+](CC(=O)N(C)Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879122845 597826128 /nfs/dbraw/zinc/82/61/28/597826128.db2.gz QQUDGMUJYPUYPO-UHFFFAOYSA-N 2 0 347.503 1.935 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000127637407 597874114 /nfs/dbraw/zinc/87/41/14/597874114.db2.gz WSGGJHPTVKUCQQ-ZDUSSCGKSA-N 2 0 331.416 1.534 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(CC3CC3)CC2)C[C@H]1C[NH+](C)C ZINC000883860756 597922513 /nfs/dbraw/zinc/92/25/13/597922513.db2.gz JWNFQSRPAVSVFN-IAGOWNOFSA-N 2 0 336.524 1.948 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884184262 598017849 /nfs/dbraw/zinc/01/78/49/598017849.db2.gz KXAWDNCHLQHBNG-UHFFFAOYSA-N 2 0 345.491 1.436 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884199086 598025897 /nfs/dbraw/zinc/02/58/97/598025897.db2.gz OFZVIUJIDBZCIO-UHFFFAOYSA-N 2 0 345.491 1.343 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884208352 598029490 /nfs/dbraw/zinc/02/94/90/598029490.db2.gz XRLHNXUDXWMOFX-BHYGNILZSA-N 2 0 343.427 1.282 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C(F)(F)F ZINC000884303489 598059367 /nfs/dbraw/zinc/05/93/67/598059367.db2.gz PWORRNKRZTVUBL-DGCLKSJQSA-N 2 0 328.338 1.434 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000884393049 598090910 /nfs/dbraw/zinc/09/09/10/598090910.db2.gz UBHHRKDEJKVAAS-HOTGVXAUSA-N 2 0 325.497 1.709 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000884432204 598103515 /nfs/dbraw/zinc/10/35/15/598103515.db2.gz WUIWWGODBFLLIV-MRXNPFEDSA-N 2 0 348.491 1.926 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC000884437894 598105256 /nfs/dbraw/zinc/10/52/56/598105256.db2.gz PEXHYCQTZKRUOV-JIMOISOXSA-N 2 0 326.238 1.706 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914115846 695121760 /nfs/dbraw/zinc/12/17/60/695121760.db2.gz HIMLABPHTFETHM-CVEARBPZSA-N 2 0 329.510 1.076 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC000992687289 695206771 /nfs/dbraw/zinc/20/67/71/695206771.db2.gz DDQHXHWRZMCMJJ-ARFHVFGLSA-N 2 0 333.480 1.295 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1)[NH+]1CCCCC1 ZINC000992691007 695208070 /nfs/dbraw/zinc/20/80/70/695208070.db2.gz MSRHSUWZMMEJBE-ULQDDVLXSA-N 2 0 337.508 1.460 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000262120591 695322457 /nfs/dbraw/zinc/32/24/57/695322457.db2.gz NHCZIUQWWLHVLD-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(CCC2CCOCC2)C1 ZINC001031050349 695380782 /nfs/dbraw/zinc/38/07/82/695380782.db2.gz JJSQTBRPNWDNBD-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992911122 695447253 /nfs/dbraw/zinc/44/72/53/695447253.db2.gz WGGBTKAZXOVSCC-USXIJHARSA-N 2 0 332.448 1.487 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccns3)[C@H]2C1 ZINC000992914893 695450875 /nfs/dbraw/zinc/45/08/75/695450875.db2.gz HKMOTLAURBWXCC-BHYGNILZSA-N 2 0 348.516 1.956 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])CCOC)c(C)c2)CC1 ZINC000324430540 695919431 /nfs/dbraw/zinc/91/94/31/695919431.db2.gz PZJVSABTHZYUQK-MRXNPFEDSA-N 2 0 334.464 1.439 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C(C)C ZINC000916165743 696632497 /nfs/dbraw/zinc/63/24/97/696632497.db2.gz WKXJQDPRGAEVMD-LSDHHAIUSA-N 2 0 328.526 1.596 20 0 EDADRP Cc1ncccc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994257801 696664075 /nfs/dbraw/zinc/66/40/75/696664075.db2.gz UGHVPESTLVGUEH-AEFFLSMTSA-N 2 0 342.487 1.955 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008516 700110332 /nfs/dbraw/zinc/11/03/32/700110332.db2.gz QOHCQRBJAYFJNI-INIZCTEOSA-N 2 0 334.464 1.856 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)[NH+](C)C1CC1 ZINC000916851832 696803030 /nfs/dbraw/zinc/80/30/30/696803030.db2.gz SCBRICSUEIZFRE-BPLDGKMQSA-N 2 0 326.510 1.348 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512416 696957053 /nfs/dbraw/zinc/95/70/53/696957053.db2.gz YVFWVEPPCDDETH-OCCSQVGLSA-N 2 0 326.391 1.898 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382585 697001068 /nfs/dbraw/zinc/00/10/68/697001068.db2.gz YRCDJKHKLZMIHP-IAGOWNOFSA-N 2 0 327.472 1.859 20 0 EDADRP C[C@@H](CNC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[NH+]1CCCCC1 ZINC000918120745 697133624 /nfs/dbraw/zinc/13/36/24/697133624.db2.gz KSMUORSDFMUETH-YESZJQIVSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000918122223 697134039 /nfs/dbraw/zinc/13/40/39/697134039.db2.gz SUBPTGJYTJZWQS-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031584868 697280424 /nfs/dbraw/zinc/28/04/24/697280424.db2.gz KTUGYYYCLAZRCN-GOSISDBHSA-N 2 0 326.444 1.810 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000921424715 697602819 /nfs/dbraw/zinc/60/28/19/697602819.db2.gz PBXPYVWOISTRQP-HYVNUMGLSA-N 2 0 338.496 1.268 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031715543 697737022 /nfs/dbraw/zinc/73/70/22/697737022.db2.gz VGHNEWCODJDZGH-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)CC1 ZINC001032094503 698596569 /nfs/dbraw/zinc/59/65/69/698596569.db2.gz IZDGEEQDIPIOBW-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)C12CCC[NH+](CCC1)C2 ZINC001031764682 699049756 /nfs/dbraw/zinc/04/97/56/699049756.db2.gz KCIFIYGDKJQRIY-PXNSSMCTSA-N 2 0 347.503 1.337 20 0 EDADRP CC(C)(C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)[NH+]1CCCC1 ZINC000941512373 701565674 /nfs/dbraw/zinc/56/56/74/701565674.db2.gz DKIVHLVVMPOJSD-UHFFFAOYSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939138225 699229022 /nfs/dbraw/zinc/22/90/22/699229022.db2.gz UQZSBBPTEQHUGL-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1)[NH+](C)C ZINC000941551568 701578208 /nfs/dbraw/zinc/57/82/08/701578208.db2.gz ATJWUHLIWOHHHF-GOSISDBHSA-N 2 0 336.524 1.201 20 0 EDADRP Cc1ncoc1CN1CC(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001031806996 699415708 /nfs/dbraw/zinc/41/57/08/699415708.db2.gz XONPHNKMFFUTIQ-MRXNPFEDSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939259421 699437121 /nfs/dbraw/zinc/43/71/21/699437121.db2.gz UOVQKXDROLYYHS-CRAIPNDOSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939256077 699448516 /nfs/dbraw/zinc/44/85/16/699448516.db2.gz AEOVMHZVQBLRDK-KSSFIOAISA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939256123 699448538 /nfs/dbraw/zinc/44/85/38/699448538.db2.gz AUNQASPHGIDFEE-KBXCAEBGSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939398649 699547826 /nfs/dbraw/zinc/54/78/26/699547826.db2.gz PPYCNBVDJOOFBB-MAUKXSAKSA-N 2 0 348.466 1.889 20 0 EDADRP Cc1csc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939543599 699684703 /nfs/dbraw/zinc/68/47/03/699684703.db2.gz FFEDKRLCSBNGCK-OCCSQVGLSA-N 2 0 334.489 1.484 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cnon2)C1)C12CCC[NH+](CCC1)C2 ZINC000994985604 699803071 /nfs/dbraw/zinc/80/30/71/699803071.db2.gz CYBIURSHUALYIA-LSDHHAIUSA-N 2 0 347.463 1.320 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000939753547 699903175 /nfs/dbraw/zinc/90/31/75/699903175.db2.gz GSCSLNZEZDJLJH-HIFRSBDPSA-N 2 0 339.871 1.069 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939756355 699922838 /nfs/dbraw/zinc/92/28/38/699922838.db2.gz UFIHOHZVXZUHKB-DYVFJYSZSA-N 2 0 343.431 1.255 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941669445 701623393 /nfs/dbraw/zinc/62/33/93/701623393.db2.gz ZLDWKBACWSHZKZ-UHFFFAOYSA-N 2 0 334.508 1.101 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1)C12CCC[NH+]1CCC2 ZINC000995013009 699962268 /nfs/dbraw/zinc/96/22/68/699962268.db2.gz HAIHTSGUTXHHTH-ZIAGYGMSSA-N 2 0 333.436 1.073 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940141778 700269278 /nfs/dbraw/zinc/26/92/78/700269278.db2.gz GGQKAJVXFCHUGC-KRWDZBQOSA-N 2 0 347.507 1.765 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000940148648 700281771 /nfs/dbraw/zinc/28/17/71/700281771.db2.gz CADNTRXMFOGZDS-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC000940176990 700310098 /nfs/dbraw/zinc/31/00/98/700310098.db2.gz UHKFQCXXLVWZKC-JKSUJKDBSA-N 2 0 325.497 1.866 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000940214299 700354396 /nfs/dbraw/zinc/35/43/96/700354396.db2.gz GNKNUZYNIGXAPJ-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1)[NH+](C)C ZINC000940307613 700489588 /nfs/dbraw/zinc/48/95/88/700489588.db2.gz UWSRYEOIGWQENN-MRXNPFEDSA-N 2 0 335.496 1.477 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940328361 700506353 /nfs/dbraw/zinc/50/63/53/700506353.db2.gz HPPLTOKIWAUDCP-HNNXBMFYSA-N 2 0 348.495 1.253 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000940328410 700506961 /nfs/dbraw/zinc/50/69/61/700506961.db2.gz JELPGDMTJVIYKH-AWEZNQCLSA-N 2 0 349.479 1.445 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940328891 700507397 /nfs/dbraw/zinc/50/73/97/700507397.db2.gz MQDBVIYAJXRRKO-WBVHZDCISA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940328950 700507905 /nfs/dbraw/zinc/50/79/05/700507905.db2.gz ONLJCRQYWXAKPX-ZDUSSCGKSA-N 2 0 337.493 1.493 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)cn1 ZINC000940373820 700556211 /nfs/dbraw/zinc/55/62/11/700556211.db2.gz NCPJKSJTUIRNID-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP CC1([NH2+]C[C@H]2C[C@]23CCOC3)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428202 700622522 /nfs/dbraw/zinc/62/25/22/700622522.db2.gz YBEIHTKAIKZRLS-UZLBHIALSA-N 2 0 347.503 1.480 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccc(F)cn3)C2)CC1 ZINC000995076708 700652027 /nfs/dbraw/zinc/65/20/27/700652027.db2.gz FGJPEBJXRXCZDQ-YOEHRIQHSA-N 2 0 348.466 1.937 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)co1 ZINC000995077075 700655146 /nfs/dbraw/zinc/65/51/46/700655146.db2.gz GOFRCWOGIJVDST-HOCLYGCPSA-N 2 0 334.464 1.699 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472379 700657859 /nfs/dbraw/zinc/65/78/59/700657859.db2.gz VCDIGCQOKJWWFE-HUUCEWRRSA-N 2 0 348.495 1.159 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2cncs2)CC1(C)C ZINC000940625362 700787150 /nfs/dbraw/zinc/78/71/50/700787150.db2.gz RMPVHWKGSUHKQJ-HUUCEWRRSA-N 2 0 336.505 1.954 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000940917973 700995449 /nfs/dbraw/zinc/99/54/49/700995449.db2.gz HDTHJMTZJVBSPF-SJORKVTESA-N 2 0 337.508 1.460 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031919051 701041132 /nfs/dbraw/zinc/04/11/32/701041132.db2.gz LTJOQKSGBLDKRN-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)cc1 ZINC000941093580 701137606 /nfs/dbraw/zinc/13/76/06/701137606.db2.gz RIOQBUCMRGACMR-SFHVURJKSA-N 2 0 347.503 1.961 20 0 EDADRP Cc1noc(C)c1CN1CC(CNC(=O)c2occc2C[NH+](C)C)C1 ZINC001031932210 701383977 /nfs/dbraw/zinc/38/39/77/701383977.db2.gz XUJPHOAWHZCIOC-UHFFFAOYSA-N 2 0 346.431 1.808 20 0 EDADRP Cc1cnc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217986 701399440 /nfs/dbraw/zinc/39/94/40/701399440.db2.gz VEMWAPIFVYNNFC-GJZGRUSLSA-N 2 0 334.464 1.651 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cncn3C)C2)CC1 ZINC000995133439 701407759 /nfs/dbraw/zinc/40/77/59/701407759.db2.gz LXYSYZCCAQKGTR-SJORKVTESA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221129 701411408 /nfs/dbraw/zinc/41/14/08/701411408.db2.gz LJSUFPPIRMBWHG-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408630 701521084 /nfs/dbraw/zinc/52/10/84/701521084.db2.gz NQZJDUBNFUWMKC-IRXDYDNUSA-N 2 0 334.508 1.098 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031949554 701526260 /nfs/dbraw/zinc/52/62/60/701526260.db2.gz YRLAJKDQNXPNAI-UHFFFAOYSA-N 2 0 345.487 1.893 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941443956 701535794 /nfs/dbraw/zinc/53/57/94/701535794.db2.gz XOSIDFVUBHAQRZ-MRXNPFEDSA-N 2 0 340.487 1.049 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456920 701543257 /nfs/dbraw/zinc/54/32/57/701543257.db2.gz VZBSZHXBXURWHW-AEFFLSMTSA-N 2 0 334.508 1.240 20 0 EDADRP CCc1ccccc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130651 701845735 /nfs/dbraw/zinc/84/57/35/701845735.db2.gz XLPCYLLGLZICGU-UHFFFAOYSA-N 2 0 327.472 1.893 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1)C12CC[NH+](CC1)C2 ZINC001032131971 701858330 /nfs/dbraw/zinc/85/83/30/701858330.db2.gz XRDDPSCTNZPAST-QGZVFWFLSA-N 2 0 347.434 1.003 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCC3CCOCC3)C2)CC[N@@H+]1C ZINC000999188661 706630075 /nfs/dbraw/zinc/63/00/75/706630075.db2.gz CJRFQEKLHIBIHS-BPQIPLTHSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189943 706632329 /nfs/dbraw/zinc/63/23/29/706632329.db2.gz ORPGKHDWYKSTRA-BZUAXINKSA-N 2 0 348.491 1.966 20 0 EDADRP CCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001031977213 702015246 /nfs/dbraw/zinc/01/52/46/702015246.db2.gz AWKIEIOQKGAYMO-KXBFYZLASA-N 2 0 329.488 1.995 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001032206526 702150490 /nfs/dbraw/zinc/15/04/90/702150490.db2.gz CNHUWQWQMYQMOT-QAPCUYQASA-N 2 0 345.487 1.977 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897473 702201888 /nfs/dbraw/zinc/20/18/88/702201888.db2.gz RJPQTBGTQNDQHD-SJORKVTESA-N 2 0 348.491 1.904 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995886856 702223603 /nfs/dbraw/zinc/22/36/03/702223603.db2.gz ODLYIVHUGGOCAV-IRXDYDNUSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995986440 702348866 /nfs/dbraw/zinc/34/88/66/702348866.db2.gz YHXVWYFJUCXBLY-HOTGVXAUSA-N 2 0 333.480 1.231 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995972417 702356715 /nfs/dbraw/zinc/35/67/15/702356715.db2.gz DTJDWEVMMJZPCJ-CVEARBPZSA-N 2 0 348.495 1.109 20 0 EDADRP COc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032187167 702366405 /nfs/dbraw/zinc/36/64/05/702366405.db2.gz HMUPCFBEZQGJDC-INIZCTEOSA-N 2 0 347.459 1.074 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995994590 702372311 /nfs/dbraw/zinc/37/23/11/702372311.db2.gz FXAMEIJLAKZVCX-OAHLLOKOSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942054209 702500345 /nfs/dbraw/zinc/50/03/45/702500345.db2.gz WODKHJSVPVGAGY-CVEARBPZSA-N 2 0 325.497 1.460 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056484 702504091 /nfs/dbraw/zinc/50/40/91/702504091.db2.gz HWZNJIRTTCPDGZ-HZPDHXFCSA-N 2 0 335.496 1.685 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996099664 702516518 /nfs/dbraw/zinc/51/65/18/702516518.db2.gz NKRUBBLXKYXNEG-QGZVFWFLSA-N 2 0 333.476 1.223 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)sn1 ZINC000995209520 702675410 /nfs/dbraw/zinc/67/54/10/702675410.db2.gz KHCSETFIPMIRLI-HUUCEWRRSA-N 2 0 336.505 1.922 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CCC[NH+](CCOC)CC1 ZINC000948416920 702685004 /nfs/dbraw/zinc/68/50/04/702685004.db2.gz SOUIYEVPJCLFEZ-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CCCn1ncnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995211170 702687115 /nfs/dbraw/zinc/68/71/15/702687115.db2.gz NMSBKFJMEGMJSY-JKSUJKDBSA-N 2 0 348.495 1.158 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000995219525 702761310 /nfs/dbraw/zinc/76/13/10/702761310.db2.gz ZBWNLCGUTUMQDC-DZGCQCFKSA-N 2 0 346.479 1.152 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)Cc3ncc[nH]3)CC2(C)C)c1 ZINC000996461119 702789243 /nfs/dbraw/zinc/78/92/43/702789243.db2.gz MAKRPBZJAGITNM-HNNXBMFYSA-N 2 0 343.431 1.383 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000996463372 702790866 /nfs/dbraw/zinc/79/08/66/702790866.db2.gz FOOGZJUMPCRVHR-INIZCTEOSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478674 702810495 /nfs/dbraw/zinc/81/04/95/702810495.db2.gz SVYNHHBVLSKFRJ-GOEBONIOSA-N 2 0 347.463 1.333 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)CC1(C)C ZINC000996512147 702831257 /nfs/dbraw/zinc/83/12/57/702831257.db2.gz BIPCYURGERBNNC-OAHLLOKOSA-N 2 0 331.420 1.286 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996519172 702854857 /nfs/dbraw/zinc/85/48/57/702854857.db2.gz NOZFZTJMAJZTHV-GOEBONIOSA-N 2 0 334.464 1.651 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000996519258 702855001 /nfs/dbraw/zinc/85/50/01/702855001.db2.gz KCZMGNCLIFPSNL-HOTGVXAUSA-N 2 0 335.492 1.335 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948439526 702905838 /nfs/dbraw/zinc/90/58/38/702905838.db2.gz QYQNSDYFZRSMHH-WMZOPIPTSA-N 2 0 337.508 1.699 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)c3ncccn3)CC2)CC[N@@H+]1C ZINC000996602952 702912423 /nfs/dbraw/zinc/91/24/23/702912423.db2.gz IZPATTCPXHAFAA-HYVNUMGLSA-N 2 0 345.491 1.849 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCC2 ZINC000996614060 702919335 /nfs/dbraw/zinc/91/93/35/702919335.db2.gz YNDMTNAZGNXBBJ-KRWDZBQOSA-N 2 0 345.491 1.252 20 0 EDADRP CC(C)C[NH2+][C@@H]1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1(C)C ZINC000996624708 702922447 /nfs/dbraw/zinc/92/24/47/702922447.db2.gz PVBOEYAFJHWSQU-JKSUJKDBSA-N 2 0 325.497 1.437 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000996653039 702942729 /nfs/dbraw/zinc/94/27/29/702942729.db2.gz XPWMLZHWEQTTRO-UHFFFAOYSA-N 2 0 345.447 1.982 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC000996667384 702964405 /nfs/dbraw/zinc/96/44/05/702964405.db2.gz AXLTZJYYVKEQJF-CVEARBPZSA-N 2 0 338.496 1.094 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996674356 702969730 /nfs/dbraw/zinc/96/97/30/702969730.db2.gz CASPDFPMUZJKPI-OAHLLOKOSA-N 2 0 337.493 1.267 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000996672901 702973696 /nfs/dbraw/zinc/97/36/96/702973696.db2.gz QGFAYUPNQHRVCQ-BEFAXECRSA-N 2 0 335.492 1.478 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996677443 702976470 /nfs/dbraw/zinc/97/64/70/702976470.db2.gz JQUKGHACCAUJNI-KRWDZBQOSA-N 2 0 334.464 1.658 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996679085 702977965 /nfs/dbraw/zinc/97/79/65/702977965.db2.gz PWSVFEUFDCWSBM-BBRMVZONSA-N 2 0 334.464 1.965 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1)[NH+](C)C ZINC000996711831 703006338 /nfs/dbraw/zinc/00/63/38/703006338.db2.gz LIUKZXNIENMNSA-GOSISDBHSA-N 2 0 347.507 1.640 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996715241 703010298 /nfs/dbraw/zinc/01/02/98/703010298.db2.gz DZGZLQJVJUDZER-HOTGVXAUSA-N 2 0 333.436 1.167 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ccnc(N(C)C)c2)CC1)[NH+](C)C ZINC000996716257 703014701 /nfs/dbraw/zinc/01/47/01/703014701.db2.gz IWZURPRVJYAIPT-QGZVFWFLSA-N 2 0 347.507 1.568 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1nncn1C ZINC000996770799 703065726 /nfs/dbraw/zinc/06/57/26/703065726.db2.gz ORIXKADXWWTUDV-AWEZNQCLSA-N 2 0 346.479 1.085 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996799811 703085864 /nfs/dbraw/zinc/08/58/64/703085864.db2.gz YZPVJGBSMKNERX-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597603 703112518 /nfs/dbraw/zinc/11/25/18/703112518.db2.gz MJJNAVXHQCOGIJ-DYVFJYSZSA-N 2 0 334.464 1.651 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000948474205 703153422 /nfs/dbraw/zinc/15/34/22/703153422.db2.gz QYPDPITZXHDJFC-QGZVFWFLSA-N 2 0 337.508 1.558 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC[N@@H+]1C ZINC000996920892 703191864 /nfs/dbraw/zinc/19/18/64/703191864.db2.gz GJCPUIAUBBSNIR-KBPBESRZSA-N 2 0 336.505 1.954 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)CC1 ZINC000996947027 703216801 /nfs/dbraw/zinc/21/68/01/703216801.db2.gz RDGGVIJDEDHSAO-UHFFFAOYSA-N 2 0 334.439 1.643 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000996981520 703236655 /nfs/dbraw/zinc/23/66/55/703236655.db2.gz VZVSFWGYPDVSES-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP COc1nccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996976995 703241981 /nfs/dbraw/zinc/24/19/81/703241981.db2.gz HRBHLZWCBMSURM-MRXNPFEDSA-N 2 0 349.479 1.152 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996995775 703252855 /nfs/dbraw/zinc/25/28/55/703252855.db2.gz QSRIOSSIPLTSHU-HNNXBMFYSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000996997774 703254477 /nfs/dbraw/zinc/25/44/77/703254477.db2.gz GOTXSCZRNRTAJG-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)s1 ZINC000997006170 703263562 /nfs/dbraw/zinc/26/35/62/703263562.db2.gz FFZCENCLJIVFJS-BXUZGUMPSA-N 2 0 337.493 1.125 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997007702 703264890 /nfs/dbraw/zinc/26/48/90/703264890.db2.gz JJBGYONHFDIRKA-CRAIPNDOSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997011578 703271590 /nfs/dbraw/zinc/27/15/90/703271590.db2.gz XDQCOXCXEIHANJ-BBRMVZONSA-N 2 0 331.464 1.063 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1)[NH+](C)C ZINC000997016640 703275150 /nfs/dbraw/zinc/27/51/50/703275150.db2.gz WBKICAKTIGPMPO-INIZCTEOSA-N 2 0 334.464 1.973 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000997059393 703304791 /nfs/dbraw/zinc/30/47/91/703304791.db2.gz CQVVPZVPZKPLOO-INIZCTEOSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997060763 703305775 /nfs/dbraw/zinc/30/57/75/703305775.db2.gz JMJXNOHJDNUKTA-KRWDZBQOSA-N 2 0 347.507 1.764 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]Cc2cnon2)CC1)[NH+]1CCCCCC1 ZINC000997063302 703308177 /nfs/dbraw/zinc/30/81/77/703308177.db2.gz PYRVZTUYGQAJTN-CQSZACIVSA-N 2 0 335.452 1.415 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1CCOC ZINC000925339155 703331120 /nfs/dbraw/zinc/33/11/20/703331120.db2.gz WWMXWDGCZOSADM-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP CC(C)[NH+]1CCC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997093600 703340914 /nfs/dbraw/zinc/34/09/14/703340914.db2.gz LVDNHFYAUSSWES-OAHLLOKOSA-N 2 0 335.496 1.683 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)CC1 ZINC000997114496 703364850 /nfs/dbraw/zinc/36/48/50/703364850.db2.gz DBUOSMXYOFXOBN-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)c1ncccn1 ZINC000997115598 703369507 /nfs/dbraw/zinc/36/95/07/703369507.db2.gz OLHRTSBRGFTQNW-INIZCTEOSA-N 2 0 345.491 1.850 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)no1 ZINC000997116051 703370436 /nfs/dbraw/zinc/37/04/36/703370436.db2.gz SSMCSBKVDNGMIA-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997181670 703466426 /nfs/dbraw/zinc/46/64/26/703466426.db2.gz RAOLMRJSTLZOFA-SJLPKXTDSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC000997182006 703466916 /nfs/dbraw/zinc/46/69/16/703466916.db2.gz FQKNJDSGOOANKG-OLZOCXBDSA-N 2 0 337.493 1.522 20 0 EDADRP Cc1c(C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)ccc2c[nH+]cn21 ZINC000997188854 703478668 /nfs/dbraw/zinc/47/86/68/703478668.db2.gz UMYOIBOHDNHFNL-CQSZACIVSA-N 2 0 344.459 1.855 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997301798 703544920 /nfs/dbraw/zinc/54/49/20/703544920.db2.gz GVJZPXGIEXKVTO-HUUCEWRRSA-N 2 0 331.464 1.378 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997299466 703556666 /nfs/dbraw/zinc/55/66/66/703556666.db2.gz NTTNTUQYYHEIEZ-AWEZNQCLSA-N 2 0 334.464 1.578 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1 ZINC000997307097 703565590 /nfs/dbraw/zinc/56/55/90/703565590.db2.gz OTMMMYREWYTUKD-GOSISDBHSA-N 2 0 337.508 1.604 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CC2CC(C)C2)CC1 ZINC000997312574 703568529 /nfs/dbraw/zinc/56/85/29/703568529.db2.gz JWLPSYDUKMRLHT-AQFXKWCLSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nn1C ZINC000997359257 703589759 /nfs/dbraw/zinc/58/97/59/703589759.db2.gz HJNAMIJGTMPMOB-HUUCEWRRSA-N 2 0 347.507 1.682 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997364265 703597726 /nfs/dbraw/zinc/59/77/26/703597726.db2.gz JSTOVXFIWKPZFI-UHFFFAOYSA-N 2 0 333.480 1.377 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997368691 703607502 /nfs/dbraw/zinc/60/75/02/703607502.db2.gz SQJDUUKQQBJOPT-UHFFFAOYSA-N 2 0 337.493 1.495 20 0 EDADRP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032475953 703698825 /nfs/dbraw/zinc/69/88/25/703698825.db2.gz RSTPKQBANUMQTP-IRXDYDNUSA-N 2 0 337.508 1.676 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000997606499 703899895 /nfs/dbraw/zinc/89/98/95/703899895.db2.gz LQQDSEFSJBVFPN-QGZVFWFLSA-N 2 0 334.439 1.643 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)sn1 ZINC000997613808 703913260 /nfs/dbraw/zinc/91/32/60/703913260.db2.gz PYHSGYWKNMMXAS-MRXNPFEDSA-N 2 0 336.505 1.874 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995549258 703932087 /nfs/dbraw/zinc/93/20/87/703932087.db2.gz BVERDNRSPOMPBP-HOTGVXAUSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)ncn1 ZINC000995550938 703954727 /nfs/dbraw/zinc/95/47/27/703954727.db2.gz KRMVTUUAZWKIPA-JKSUJKDBSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553711 703965415 /nfs/dbraw/zinc/96/54/15/703965415.db2.gz SVEJZKWSUKXYQG-JSGCOSHPSA-N 2 0 337.493 1.267 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)on1 ZINC000995555172 703974092 /nfs/dbraw/zinc/97/40/92/703974092.db2.gz YOOKPFRIRWYQQN-KBPBESRZSA-N 2 0 336.436 1.104 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033080123 704145158 /nfs/dbraw/zinc/14/51/58/704145158.db2.gz CSMBZJAWSXZMDF-UONOGXRCSA-N 2 0 333.398 1.813 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033080375 704146384 /nfs/dbraw/zinc/14/63/84/704146384.db2.gz HBOFKIQRBLSHBM-QZTJIDSGSA-N 2 0 335.492 1.288 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033084988 704156057 /nfs/dbraw/zinc/15/60/57/704156057.db2.gz MRWOWGSAYOPAPI-MRXNPFEDSA-N 2 0 333.480 1.391 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CCN(Cc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001033100024 704224989 /nfs/dbraw/zinc/22/49/89/704224989.db2.gz VLJZXGZMRNDSNQ-HYVNUMGLSA-N 2 0 334.464 1.746 20 0 EDADRP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595301 704259912 /nfs/dbraw/zinc/25/99/12/704259912.db2.gz RTAPCACBPQKQSU-HSFUPAIVSA-N 2 0 337.508 1.532 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306678 706811646 /nfs/dbraw/zinc/81/16/46/706811646.db2.gz LDHNNVIZAKCBFY-IRXDYDNUSA-N 2 0 333.480 1.375 20 0 EDADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997737888 704635219 /nfs/dbraw/zinc/63/52/19/704635219.db2.gz ZCWYWGPVHGYPBI-JKSUJKDBSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1)[NH+]1CCCC1 ZINC001032557682 704739163 /nfs/dbraw/zinc/73/91/63/704739163.db2.gz PCXJNQRDTZYFON-ULQDDVLXSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997864548 704771513 /nfs/dbraw/zinc/77/15/13/704771513.db2.gz KNCMLRXFIALQJW-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997868359 704773578 /nfs/dbraw/zinc/77/35/78/704773578.db2.gz TYQVVZQDSPJCIN-KSSFIOAISA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)sn1 ZINC000944943707 704796123 /nfs/dbraw/zinc/79/61/23/704796123.db2.gz JTXXNSOBNVIBAN-BBRMVZONSA-N 2 0 336.505 1.874 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997930673 705036519 /nfs/dbraw/zinc/03/65/19/705036519.db2.gz OJAFGUPUPCDXTK-FDYSRKEFSA-N 2 0 347.503 1.478 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998003742 705164757 /nfs/dbraw/zinc/16/47/57/705164757.db2.gz IJFGCZKIANWIRK-ZWKOTPCHSA-N 2 0 339.524 1.945 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998076621 705296044 /nfs/dbraw/zinc/29/60/44/705296044.db2.gz BDTAQEDNULZBET-CJNGLKHVSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076709 705297156 /nfs/dbraw/zinc/29/71/56/705297156.db2.gz CPNPJEILVNLDHS-SCLBCKFNSA-N 2 0 348.491 1.817 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)[NH+](C)C ZINC000998087558 705320363 /nfs/dbraw/zinc/32/03/63/705320363.db2.gz YGYNFAUTLDKEHO-KRWDZBQOSA-N 2 0 336.455 1.889 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998266222 705637869 /nfs/dbraw/zinc/63/78/69/705637869.db2.gz PGZPQCSUORYMTR-DZGCQCFKSA-N 2 0 349.479 1.473 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000998267995 705639402 /nfs/dbraw/zinc/63/94/02/705639402.db2.gz CAYPCHXTLFOQBZ-UHFFFAOYSA-N 2 0 331.464 1.209 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000998268559 705644401 /nfs/dbraw/zinc/64/44/01/705644401.db2.gz HJHBVBBHZQEEBC-MJGOQNOKSA-N 2 0 335.492 1.337 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1)C1CCC1 ZINC000998270840 705649586 /nfs/dbraw/zinc/64/95/86/705649586.db2.gz VMDZJTWYIDJCOZ-STQMWFEESA-N 2 0 339.377 1.809 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000998288562 705688553 /nfs/dbraw/zinc/68/85/53/705688553.db2.gz WCWIQKIHYPFANG-GJZGRUSLSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)C1 ZINC001032627672 705737329 /nfs/dbraw/zinc/73/73/29/705737329.db2.gz DWKYGZPVZVZILS-NEWSRXKRSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC000998547863 705982703 /nfs/dbraw/zinc/98/27/03/705982703.db2.gz BICDZNUIKKAPGD-ABHNRTSZSA-N 2 0 330.476 1.872 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998548387 705983795 /nfs/dbraw/zinc/98/37/95/705983795.db2.gz HGKCPBJJIXXKOF-UYJHFMRCSA-N 2 0 345.491 1.393 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)[nH]1 ZINC000998554545 705989412 /nfs/dbraw/zinc/98/94/12/705989412.db2.gz YPEGNFGAXMNJFX-RUXDESIVSA-N 2 0 334.468 1.101 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCc2ccns2)C1 ZINC000998781314 706222589 /nfs/dbraw/zinc/22/25/89/706222589.db2.gz VGVPMQWXJFRSHQ-DQPZFDDXSA-N 2 0 348.516 1.606 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998993961 706411366 /nfs/dbraw/zinc/41/13/66/706411366.db2.gz HTKDOJCFXSJRPT-GPANFISMSA-N 2 0 348.495 1.170 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999146080 706560150 /nfs/dbraw/zinc/56/01/50/706560150.db2.gz UWKWGBGMXMIHDU-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]2CC1 ZINC000946518061 706568759 /nfs/dbraw/zinc/56/87/59/706568759.db2.gz NHPHHTOCMXCQBE-KSZLIROESA-N 2 0 345.491 1.148 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]C[C@H]2CC(C)(C)CO2)C1 ZINC000999340660 706852247 /nfs/dbraw/zinc/85/22/47/706852247.db2.gz DTEBWUHMJLUEDR-OFLPRAFFSA-N 2 0 337.508 1.722 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365650 706879501 /nfs/dbraw/zinc/87/95/01/706879501.db2.gz QOLKXRRXVSCDQB-OAHLLOKOSA-N 2 0 348.495 1.171 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)C1CC1 ZINC000999368904 706882215 /nfs/dbraw/zinc/88/22/15/706882215.db2.gz HOHHEYFTEZBVCB-QZTJIDSGSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999369969 706883915 /nfs/dbraw/zinc/88/39/15/706883915.db2.gz KUGPPFXZTXDRLA-NVXWUHKLSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999407909 706917455 /nfs/dbraw/zinc/91/74/55/706917455.db2.gz XUKLFBULIAIPSE-NVPAJSRCSA-N 2 0 333.480 1.292 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999510996 707009516 /nfs/dbraw/zinc/00/95/16/707009516.db2.gz MJWUQTNXDSLCRN-SJORKVTESA-N 2 0 334.439 1.786 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000921684405 707029999 /nfs/dbraw/zinc/02/99/99/707029999.db2.gz ABXSFLSCGFAPFV-ZDUSSCGKSA-N 2 0 327.904 1.745 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594560 707097858 /nfs/dbraw/zinc/09/78/58/707097858.db2.gz BQKDFXUVVFMVSB-MRXNPFEDSA-N 2 0 332.448 1.692 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CC[C@@H]3CCCO3)C2)CC1 ZINC000999598182 707100838 /nfs/dbraw/zinc/10/08/38/707100838.db2.gz KLNQJLHWHQBEBF-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999711503 707306862 /nfs/dbraw/zinc/30/68/62/707306862.db2.gz XRJYQTRMKSRPSS-UHFFFAOYSA-N 2 0 348.878 1.910 20 0 EDADRP CN(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999832651 707463716 /nfs/dbraw/zinc/46/37/16/707463716.db2.gz GGYSHXVZPMMVAD-UHFFFAOYSA-N 2 0 344.503 1.927 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1)[NH+]1CCCC1 ZINC000999875875 707522547 /nfs/dbraw/zinc/52/25/47/707522547.db2.gz IQNYZYSUXORRHM-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCc2ccns2)CCN1C(=O)Cc1ncc[nH]1 ZINC001044810602 707538790 /nfs/dbraw/zinc/53/87/90/707538790.db2.gz VZHLRARCYXKXDX-OLZOCXBDSA-N 2 0 333.461 1.621 20 0 EDADRP CCC[NH+]1CCC[C@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](CCC)C2)nn1 ZINC000999985811 707656645 /nfs/dbraw/zinc/65/66/45/707656645.db2.gz FMPXSMPBQDOOEP-IRXDYDNUSA-N 2 0 348.495 1.426 20 0 EDADRP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004975636 707808540 /nfs/dbraw/zinc/80/85/40/707808540.db2.gz DKYVAIOCYHSGTM-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001000193798 707830387 /nfs/dbraw/zinc/83/03/87/707830387.db2.gz SEEQRBGTPYXZTJ-DZGCQCFKSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423997 707840649 /nfs/dbraw/zinc/84/06/49/707840649.db2.gz WHAIMIJWQXRALX-MAUKXSAKSA-N 2 0 333.476 1.318 20 0 EDADRP CCn1nncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004988138 707845094 /nfs/dbraw/zinc/84/50/94/707845094.db2.gz AHNSNAMMLRZASD-RDJZCZTQSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989042 707846815 /nfs/dbraw/zinc/84/68/15/707846815.db2.gz DRVXXASSXLMNRH-DOTOQJQBSA-N 2 0 333.480 1.375 20 0 EDADRP O=C(NC1(C2CC[NH+](CCCO)CC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001000210667 707865747 /nfs/dbraw/zinc/86/57/47/707865747.db2.gz MEAKTIZIJIEJDM-UHFFFAOYSA-N 2 0 342.443 1.691 20 0 EDADRP C[C@H]([NH2+]Cc1cccnc1)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005007428 707917121 /nfs/dbraw/zinc/91/71/21/707917121.db2.gz DJNXYVQYJIMRDM-RDJZCZTQSA-N 2 0 327.432 1.838 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCc2ncc(C)cn2)C1 ZINC001001007325 708081953 /nfs/dbraw/zinc/08/19/53/708081953.db2.gz ILFHVVKPBVONCB-IRXDYDNUSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nnc([C@H](C)N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005182124 708127897 /nfs/dbraw/zinc/12/78/97/708127897.db2.gz CTSYXKPCSRRXJT-SWLSCSKDSA-N 2 0 335.452 1.456 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001001681273 708199102 /nfs/dbraw/zinc/19/91/02/708199102.db2.gz SQAMKRXSYTZMIL-UHFFFAOYSA-N 2 0 333.476 1.225 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001001765903 708289442 /nfs/dbraw/zinc/28/94/42/708289442.db2.gz QOELTIALKWDRRE-JQHSSLGASA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nsc(C)c1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593323 708292994 /nfs/dbraw/zinc/29/29/94/708292994.db2.gz KQHIITYTPUFFEY-HNNXBMFYSA-N 2 0 348.516 1.888 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033594861 708297454 /nfs/dbraw/zinc/29/74/54/708297454.db2.gz RRGQANNYDWXXPK-AWEZNQCLSA-N 2 0 334.489 1.314 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921849672 708405224 /nfs/dbraw/zinc/40/52/24/708405224.db2.gz PSZBZHGJJOZKKY-SZMVWBNQSA-N 2 0 330.476 1.900 20 0 EDADRP COCC[NH+]1CCC(CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001002030432 708551682 /nfs/dbraw/zinc/55/16/82/708551682.db2.gz RERKQPAMVXYWST-UHFFFAOYSA-N 2 0 337.508 1.583 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)C1 ZINC001002128139 708644712 /nfs/dbraw/zinc/64/47/12/708644712.db2.gz VXOAUZSWYRSPGL-LSDHHAIUSA-N 2 0 345.434 1.191 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033833775 708860167 /nfs/dbraw/zinc/86/01/67/708860167.db2.gz LLWFJOFIRYEOCP-JFIYKMOQSA-N 2 0 337.508 1.819 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033839436 708869388 /nfs/dbraw/zinc/86/93/88/708869388.db2.gz WOVJBWCNMNRNCE-KRWDZBQOSA-N 2 0 347.507 1.781 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccccn2)CC1 ZINC001005398507 708882282 /nfs/dbraw/zinc/88/22/82/708882282.db2.gz OQJMHDRQERYAKH-IBGZPJMESA-N 2 0 342.487 1.846 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005397318 708909360 /nfs/dbraw/zinc/90/93/60/708909360.db2.gz ISPNAYPSFPGQKA-YJBOKZPZSA-N 2 0 335.492 1.288 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCCC2CCOCC2)CC1 ZINC001002472489 709005252 /nfs/dbraw/zinc/00/52/52/709005252.db2.gz AQVOREWGSPRQSH-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001033897562 709017065 /nfs/dbraw/zinc/01/70/65/709017065.db2.gz LLACGXVDVAHZPU-WMLDXEAASA-N 2 0 330.432 1.906 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]12 ZINC000921935006 709054438 /nfs/dbraw/zinc/05/44/38/709054438.db2.gz IGEDLFXOMIWKNB-AKHDSKFASA-N 2 0 342.487 1.900 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCOC)C2 ZINC001040544827 709085519 /nfs/dbraw/zinc/08/55/19/709085519.db2.gz KMZZPCHHYLSJBL-PKOBYXMFSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005498230 709255543 /nfs/dbraw/zinc/25/55/43/709255543.db2.gz PSSWVPIDGZQXEL-SFHVURJKSA-N 2 0 337.508 1.961 20 0 EDADRP C[C@@]12CN(C(=O)[C@@H]([NH3+])CC(F)F)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702126426 709337134 /nfs/dbraw/zinc/33/71/34/709337134.db2.gz OXSQURKSNAXKAO-RLFYNMQTSA-N 2 0 337.414 1.949 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002850861 709458984 /nfs/dbraw/zinc/45/89/84/709458984.db2.gz BYMBRQVQFYNNEY-NVXWUHKLSA-N 2 0 330.476 1.811 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034239286 709621265 /nfs/dbraw/zinc/62/12/65/709621265.db2.gz UGEWDJWRVWIDLI-IAGOWNOFSA-N 2 0 325.497 1.317 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038556695 709652644 /nfs/dbraw/zinc/65/26/44/709652644.db2.gz RTISABUPXNVTHO-WBVHZDCISA-N 2 0 333.476 1.630 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289563 709713292 /nfs/dbraw/zinc/71/32/92/709713292.db2.gz VFZKGYCFXAVNGB-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001045385644 709714041 /nfs/dbraw/zinc/71/40/41/709714041.db2.gz UPYDLLDRVDJFMR-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309888 709753019 /nfs/dbraw/zinc/75/30/19/709753019.db2.gz PQVZQWKPCXBZGU-GOEBONIOSA-N 2 0 330.432 1.954 20 0 EDADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C12CCC2 ZINC000453070413 709863102 /nfs/dbraw/zinc/86/31/02/709863102.db2.gz VKMRSZBVAWCSRX-SJORKVTESA-N 2 0 330.476 1.881 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001034378268 709899281 /nfs/dbraw/zinc/89/92/81/709899281.db2.gz QNEUQTQOULTALL-SJLPKXTDSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034401041 709945380 /nfs/dbraw/zinc/94/53/80/709945380.db2.gz IHRBADRKWIOWGF-CRAIPNDOSA-N 2 0 347.507 1.541 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC001034462889 710031775 /nfs/dbraw/zinc/03/17/75/710031775.db2.gz PPYGZHJSLAZYDK-GOSISDBHSA-N 2 0 347.507 1.586 20 0 EDADRP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001034490359 710109033 /nfs/dbraw/zinc/10/90/33/710109033.db2.gz HYXXKPDVMHPQGW-SJORKVTESA-N 2 0 349.519 1.868 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034492112 710112954 /nfs/dbraw/zinc/11/29/54/710112954.db2.gz YAIMGBODDHTDAZ-ROUUACIJSA-N 2 0 349.519 1.870 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC[C@H]2CCCO2)C1)C12CC[NH+](CC1)C2 ZINC001034488337 710137410 /nfs/dbraw/zinc/13/74/10/710137410.db2.gz UJQOCZKLTYXQMA-IAGOWNOFSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1c(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)ccc2c[nH+]cn21 ZINC001003220919 710139530 /nfs/dbraw/zinc/13/95/30/710139530.db2.gz FSKFGAROBQQJRD-OAHLLOKOSA-N 2 0 342.443 1.873 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1)OC ZINC001003252461 710176504 /nfs/dbraw/zinc/17/65/04/710176504.db2.gz VALLISUOGHLVBI-KRWDZBQOSA-N 2 0 330.432 1.954 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034527504 710180942 /nfs/dbraw/zinc/18/09/42/710180942.db2.gz FCLQKSKVSIZXOU-RTBURBONSA-N 2 0 345.487 1.787 20 0 EDADRP Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CN(C)CCO3)CC2)c1 ZINC001034614928 710290151 /nfs/dbraw/zinc/29/01/51/710290151.db2.gz XSQLOTAPPUXGFQ-GUDVDZBRSA-N 2 0 345.487 1.843 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001034647592 710324179 /nfs/dbraw/zinc/32/41/79/710324179.db2.gz MWYJTICTKUCRNF-VDHUWJSZSA-N 2 0 347.507 1.320 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034648098 710324932 /nfs/dbraw/zinc/32/49/32/710324932.db2.gz YJJIWYQALMXVBF-KLHDSHLOSA-N 2 0 334.464 1.840 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001003423234 710338783 /nfs/dbraw/zinc/33/87/83/710338783.db2.gz BKSPMMMELAZPKW-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003627542 710457459 /nfs/dbraw/zinc/45/74/59/710457459.db2.gz GJDQKUYKVQQKNY-DOTOQJQBSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003634393 710462006 /nfs/dbraw/zinc/46/20/06/710462006.db2.gz KAYDEDXOICFHKQ-HNAYVOBHSA-N 2 0 345.487 1.457 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001003734799 710516872 /nfs/dbraw/zinc/51/68/72/710516872.db2.gz ALDYHSHFXJSWNC-JKSUJKDBSA-N 2 0 325.497 1.866 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737130 710518622 /nfs/dbraw/zinc/51/86/22/710518622.db2.gz GMYNDMHRWCROBQ-WBVHZDCISA-N 2 0 325.497 1.865 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+](CCC3CC3)CC2)cn1 ZINC001003776803 710545811 /nfs/dbraw/zinc/54/58/11/710545811.db2.gz GMXBFSIAQMNGEG-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001034659011 710588009 /nfs/dbraw/zinc/58/80/09/710588009.db2.gz CKQXGJUOOOHHCZ-ZOBUZTSGSA-N 2 0 341.471 1.616 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005591972 710650308 /nfs/dbraw/zinc/65/03/08/710650308.db2.gz JXLASZGHOICQRY-GOSISDBHSA-N 2 0 330.476 1.989 20 0 EDADRP Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034704270 710814300 /nfs/dbraw/zinc/81/43/00/710814300.db2.gz NWLHBWSHSFXYKV-SHTZXODSSA-N 2 0 348.495 1.207 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034722071 710889132 /nfs/dbraw/zinc/88/91/32/710889132.db2.gz VSDDLTLUUAOHMR-QAQDUYKDSA-N 2 0 347.507 1.321 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC001034733783 710914421 /nfs/dbraw/zinc/91/44/21/710914421.db2.gz CTFFCPBJDNSJGO-YYIAUSFCSA-N 2 0 345.491 1.896 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001034736249 710922584 /nfs/dbraw/zinc/92/25/84/710922584.db2.gz UNJVVSQCEKIGCD-WKILWMFISA-N 2 0 347.507 1.669 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738824 710931705 /nfs/dbraw/zinc/93/17/05/710931705.db2.gz VQQQFOWWMIQCDH-TUUVXOQKSA-N 2 0 334.464 1.698 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001032958462 710951325 /nfs/dbraw/zinc/95/13/25/710951325.db2.gz AJNBGRUJYAEZOM-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034738608 710954073 /nfs/dbraw/zinc/95/40/73/710954073.db2.gz UOTYPRKQNHBPGZ-ANQUJSFKSA-N 2 0 348.495 1.013 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC001034777426 711056787 /nfs/dbraw/zinc/05/67/87/711056787.db2.gz KDLNMZAXTZROAL-QEJZJMRPSA-N 2 0 346.479 1.287 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1)C12CC[NH+](CC1)C2 ZINC001034777953 711057666 /nfs/dbraw/zinc/05/76/66/711057666.db2.gz NHOHETOXZMYZRQ-SHTZXODSSA-N 2 0 348.516 1.798 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001034778259 711079744 /nfs/dbraw/zinc/07/97/44/711079744.db2.gz QEBHUFIPNXRPFM-QAQDUYKDSA-N 2 0 345.491 1.075 20 0 EDADRP Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034786335 711090194 /nfs/dbraw/zinc/09/01/94/711090194.db2.gz MFUXREZBVHYVAK-HAQNSBGRSA-N 2 0 334.449 1.329 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](NCc2nc(C)no2)CC1 ZINC001034796230 711116205 /nfs/dbraw/zinc/11/62/05/711116205.db2.gz GCEBUCCHXZEWMQ-BZUAXINKSA-N 2 0 349.479 1.769 20 0 EDADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC001034818997 711206362 /nfs/dbraw/zinc/20/63/62/711206362.db2.gz URZXUKJSELDRHN-MSOLQXFVSA-N 2 0 331.460 1.664 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)C1 ZINC001034830781 711236616 /nfs/dbraw/zinc/23/66/16/711236616.db2.gz DJZGSUAXXFHBQH-RTBURBONSA-N 2 0 345.487 1.771 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000922387766 711428140 /nfs/dbraw/zinc/42/81/40/711428140.db2.gz MWHLYIPLUNKXBG-OWYHZJEWSA-N 2 0 328.460 1.904 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CC(C)(C)CO1)C1CCC1 ZINC001034957819 711430578 /nfs/dbraw/zinc/43/05/78/711430578.db2.gz KKEKKISMZPYVJI-SJORKVTESA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001034940381 711443458 /nfs/dbraw/zinc/44/34/58/711443458.db2.gz CIWMQMUEGVBCNR-IAGOWNOFSA-N 2 0 332.448 1.405 20 0 EDADRP O=C(N1CCC[C@@H]1C[NH2+]CC1CCOCC1)C12CCC[NH+](CCC1)C2 ZINC001034969744 711448817 /nfs/dbraw/zinc/44/88/17/711448817.db2.gz LOBFSDVNRGDQSI-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001004598306 712041275 /nfs/dbraw/zinc/04/12/75/712041275.db2.gz WDBRFMFYJRBWBS-GOEBONIOSA-N 2 0 348.491 1.771 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)CC[C@@H]2C1 ZINC000946642285 712126377 /nfs/dbraw/zinc/12/63/77/712126377.db2.gz CKCXNFJEZRHZHG-ZSYWTGECSA-N 2 0 349.519 1.820 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC12CCOCC2 ZINC000365790553 282084677 /nfs/dbraw/zinc/08/46/77/282084677.db2.gz JJTNZXFCPFXGOQ-MRXNPFEDSA-N 2 0 325.497 1.535 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)n1 ZINC000173920249 282115198 /nfs/dbraw/zinc/11/51/98/282115198.db2.gz DISZHDCRWMGZIR-HNNXBMFYSA-N 2 0 334.468 1.537 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000174622384 231259567 /nfs/dbraw/zinc/25/95/67/231259567.db2.gz CMUUGOOTBRPHLF-DOTOQJQBSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000332409763 282183887 /nfs/dbraw/zinc/18/38/87/282183887.db2.gz QRPWMLGKLFHGGJ-BRWVUGGUSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(CC2(CN3CCC[C@H]([NH+](C)C)C3)COC2)C1 ZINC000119383747 282187427 /nfs/dbraw/zinc/18/74/27/282187427.db2.gz YHGTZZREYRWXEP-HDICACEKSA-N 2 0 338.540 1.055 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)c1c(F)cccc1F ZINC000174717509 529887572 /nfs/dbraw/zinc/88/75/72/529887572.db2.gz VFEZJNXLGARBCD-INIZCTEOSA-N 2 0 327.419 1.568 20 0 EDADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1=CC[NH+](C)CC1 ZINC000333311361 299105500 /nfs/dbraw/zinc/10/55/00/299105500.db2.gz VJIWAZYPIKYXII-GJZGRUSLSA-N 2 0 338.496 1.123 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000560498170 306271876 /nfs/dbraw/zinc/27/18/76/306271876.db2.gz OEXNTZZGFZXTMJ-SJLPKXTDSA-N 2 0 339.524 1.991 20 0 EDADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000560516002 306273050 /nfs/dbraw/zinc/27/30/50/306273050.db2.gz VUXQIQMATDSERA-KBAYOESNSA-N 2 0 346.475 1.140 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)N1CCOCC1)C(C)C ZINC000102551469 219210338 /nfs/dbraw/zinc/21/03/38/219210338.db2.gz GMKQVXLZHHGTLH-INIZCTEOSA-N 2 0 328.501 1.373 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000436126287 539569633 /nfs/dbraw/zinc/56/96/33/539569633.db2.gz QPFUROFYESLETD-HUUCEWRRSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCN(Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000332789554 539602488 /nfs/dbraw/zinc/60/24/88/539602488.db2.gz KJRXQKNTGKUQER-DOTOQJQBSA-N 2 0 331.464 1.392 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000561148593 306282962 /nfs/dbraw/zinc/28/29/62/306282962.db2.gz KHMPILCTJYVDBG-GOSISDBHSA-N 2 0 346.475 1.283 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000561166621 306283790 /nfs/dbraw/zinc/28/37/90/306283790.db2.gz UARPKCJXBDKWMK-UHOSZYNNSA-N 2 0 344.503 1.930 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000342973393 539767626 /nfs/dbraw/zinc/76/76/26/539767626.db2.gz AVFJSZTXLKPTKY-JYJNAYRXSA-N 2 0 340.512 1.212 20 0 EDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@]1(N2CCOCC2)CCSC1 ZINC000166316096 539922779 /nfs/dbraw/zinc/92/27/79/539922779.db2.gz QJFNFWLLWYLVQT-BRWVUGGUSA-N 2 0 325.522 1.411 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000155555593 539923403 /nfs/dbraw/zinc/92/34/03/539923403.db2.gz FCWJAMHHOXJPSM-HOTGVXAUSA-N 2 0 343.479 1.339 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353521346 539934271 /nfs/dbraw/zinc/93/42/71/539934271.db2.gz RFOVPBMDFIQMDK-KZNAEPCWSA-N 2 0 336.524 1.392 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH3+])C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000563116024 306318947 /nfs/dbraw/zinc/31/89/47/306318947.db2.gz XEQNITXLYQTHJI-BZOOQXSSSA-N 2 0 334.439 1.284 20 0 EDADRP C[C@@H]1CN(c2ccccc2CN(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000563118036 306319092 /nfs/dbraw/zinc/31/90/92/306319092.db2.gz KJNWYEKEEKZSCU-GOSISDBHSA-N 2 0 348.535 1.837 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000183359577 235026421 /nfs/dbraw/zinc/02/64/21/235026421.db2.gz FSIZXLDJVWMTLS-HNNXBMFYSA-N 2 0 335.448 1.136 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000563271899 306325769 /nfs/dbraw/zinc/32/57/69/306325769.db2.gz ZUUGKAINBRYBHQ-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000563272145 306325809 /nfs/dbraw/zinc/32/58/09/306325809.db2.gz LAIVFHXKQRSYRW-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000377082375 291062864 /nfs/dbraw/zinc/06/28/64/291062864.db2.gz NDEBVHBVUVCDHU-JENIJYKNSA-N 2 0 336.524 1.645 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000413054948 304053161 /nfs/dbraw/zinc/05/31/61/304053161.db2.gz RUXMANJZXBAVSO-RDJZCZTQSA-N 2 0 334.464 1.691 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000360170767 283165990 /nfs/dbraw/zinc/16/59/90/283165990.db2.gz KQTPACCJIWJSQD-INIZCTEOSA-N 2 0 340.512 1.215 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083226427 138268931 /nfs/dbraw/zinc/26/89/31/138268931.db2.gz GIQYLOLLRMOVCX-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H]2C(=O)NC)CC1 ZINC000092099304 138286665 /nfs/dbraw/zinc/28/66/65/138286665.db2.gz GAPOVXKTLHZBAJ-GOSISDBHSA-N 2 0 330.476 1.539 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000563580476 306339654 /nfs/dbraw/zinc/33/96/54/306339654.db2.gz IXNNISIBRMANSK-PVAVHDDUSA-N 2 0 332.448 1.191 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000120900218 138316481 /nfs/dbraw/zinc/31/64/81/138316481.db2.gz GZHUXYDMIPJBBO-AEFFLSMTSA-N 2 0 348.491 1.384 20 0 EDADRP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000132250932 138373827 /nfs/dbraw/zinc/37/38/27/138373827.db2.gz CJQXEOXEBLJEGB-MRXNPFEDSA-N 2 0 339.480 1.110 20 0 EDADRP CCc1ccc([C@@H](C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)N(C)C)cc1 ZINC000564057803 306354512 /nfs/dbraw/zinc/35/45/12/306354512.db2.gz HASRBUFVLKAKGV-VQTJNVASSA-N 2 0 348.535 1.050 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209345 306357127 /nfs/dbraw/zinc/35/71/27/306357127.db2.gz NRTQLBMDXICSEU-ZSZQSSIHSA-N 2 0 345.443 1.640 20 0 EDADRP CCC[NH2+]CCNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000418474950 283386018 /nfs/dbraw/zinc/38/60/18/283386018.db2.gz PGHRUEHEXKLTGV-IRXDYDNUSA-N 2 0 333.480 1.715 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000106539576 219662245 /nfs/dbraw/zinc/66/22/45/219662245.db2.gz OBXKVSKZUOQOOF-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262223303 296024027 /nfs/dbraw/zinc/02/40/27/296024027.db2.gz FVQIEZDKMVOOAH-CJNGLKHVSA-N 2 0 325.478 1.639 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129792933 223092108 /nfs/dbraw/zinc/09/21/08/223092108.db2.gz IDYJZZUROHWRFW-GOSISDBHSA-N 2 0 335.492 1.304 20 0 EDADRP Cc1c(C(=O)N(CC[NH+](C)C)CC(C)C)nnn1C1CC[NH2+]CC1 ZINC000565301775 306381259 /nfs/dbraw/zinc/38/12/59/306381259.db2.gz NXDWILNBRISACI-UHFFFAOYSA-N 2 0 336.484 1.171 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067057 304099495 /nfs/dbraw/zinc/09/94/95/304099495.db2.gz HPJYMJXMUXTWCM-MRXNPFEDSA-N 2 0 328.464 1.678 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cc2ccccc2)n[nH]1 ZINC000565469439 306384629 /nfs/dbraw/zinc/38/46/29/306384629.db2.gz MJJUGXAQUOATAJ-UHFFFAOYSA-N 2 0 343.475 1.566 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000414195388 304105404 /nfs/dbraw/zinc/10/54/04/304105404.db2.gz OAMCOTOBZBXNKW-SJORKVTESA-N 2 0 325.497 1.330 20 0 EDADRP C[C@H](C[NH2+]Cc1cccc2c1OC(F)(F)O2)CN1CC[NH+](C)CC1 ZINC000414336188 304107732 /nfs/dbraw/zinc/10/77/32/304107732.db2.gz WCCWLCHSFVHVDL-CYBMUJFWSA-N 2 0 341.402 1.981 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702205 304129794 /nfs/dbraw/zinc/12/97/94/304129794.db2.gz UVOXDDFRVWLNED-QRVBRYPASA-N 3 0 338.540 1.101 20 0 EDADRP CCOC(=O)c1n[nH]c(C2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414755648 304137000 /nfs/dbraw/zinc/13/70/00/304137000.db2.gz IBGRXBPDIKQPCG-QWHCGFSZSA-N 2 0 335.452 1.549 20 0 EDADRP COc1cc2c(cc1F)C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414759835 304137988 /nfs/dbraw/zinc/13/79/88/304137988.db2.gz PHZJISLBSYNAMR-ZDUSSCGKSA-N 2 0 335.423 1.390 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000566727283 306426480 /nfs/dbraw/zinc/42/64/80/306426480.db2.gz JBYNDUCVUFXYFD-KRWDZBQOSA-N 2 0 332.448 1.447 20 0 EDADRP COc1cc(CN[C@@H](C[NH3+])C(C)(C)C)cc(Cl)c1OCC(N)=O ZINC000415049898 304154630 /nfs/dbraw/zinc/15/46/30/304154630.db2.gz BVUBOZVFVSKJAI-ZDUSSCGKSA-N 2 0 343.855 1.676 20 0 EDADRP CCOC1CC(C[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)(N2CCOCC2)C1 ZINC000415105157 304160595 /nfs/dbraw/zinc/16/05/95/304160595.db2.gz MEFMQMCKZLYIKF-VYMRPNJYSA-N 2 0 325.497 1.377 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000236984819 139037236 /nfs/dbraw/zinc/03/72/36/139037236.db2.gz HCPLYCYNPIFTBH-CXAGYDPISA-N 2 0 337.464 1.625 20 0 EDADRP CN1CC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000567377006 306449531 /nfs/dbraw/zinc/44/95/31/306449531.db2.gz GVFYPGIIEKINOK-QOKNQOGYSA-N 2 0 329.444 1.700 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000237215490 139044642 /nfs/dbraw/zinc/04/46/42/139044642.db2.gz NDFUXLZRGHJWJW-FQEVSTJZSA-N 2 0 344.503 1.582 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)[NH+](C)C)c1 ZINC000237326548 139047969 /nfs/dbraw/zinc/04/79/69/139047969.db2.gz ZXMQCURMISGUFQ-IRXDYDNUSA-N 2 0 335.448 1.183 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000415175336 304171124 /nfs/dbraw/zinc/17/11/24/304171124.db2.gz WOTNJOCFIVOWPA-WBVHZDCISA-N 2 0 344.459 1.287 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000496173659 284350065 /nfs/dbraw/zinc/35/00/65/284350065.db2.gz UWDHXSKVZGKZTP-KFWWJZLASA-N 2 0 329.485 1.534 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000415194033 304173511 /nfs/dbraw/zinc/17/35/11/304173511.db2.gz ZNWXPDSWPPMBLG-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(C[NH+]2CCC[C@H]2C[C@@H](C)O)COC1 ZINC000182360460 296196280 /nfs/dbraw/zinc/19/62/80/296196280.db2.gz UGAHRGXXXFJYSQ-TVFCKZIOSA-N 2 0 340.508 1.474 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000111468264 220159261 /nfs/dbraw/zinc/15/92/61/220159261.db2.gz BRMISWUZYWHMIJ-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP O=C(NC1CCN(c2ccccn2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237993871 139065910 /nfs/dbraw/zinc/06/59/10/139065910.db2.gz WAYIQCBDTFRJSZ-SFHVURJKSA-N 2 0 336.439 1.881 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000415232771 304177280 /nfs/dbraw/zinc/17/72/80/304177280.db2.gz QZTUEJHGMCLRSR-YOEHRIQHSA-N 2 0 344.459 1.430 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000238050142 139067640 /nfs/dbraw/zinc/06/76/40/139067640.db2.gz DKHXTTFRZLLDQH-QGZVFWFLSA-N 2 0 333.501 1.862 20 0 EDADRP O=C1CNC(=O)N1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245645624 139081967 /nfs/dbraw/zinc/08/19/67/139081967.db2.gz BMBXQLYSMJPSJS-OSYLJGHBSA-N 2 0 342.443 1.323 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000415266317 304181754 /nfs/dbraw/zinc/18/17/54/304181754.db2.gz GUHWTSXXGVQLPX-INIZCTEOSA-N 2 0 344.459 1.213 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)cc1 ZINC000415290262 304186822 /nfs/dbraw/zinc/18/68/22/304186822.db2.gz CXPFRNUUDMINPZ-MRXNPFEDSA-N 2 0 332.448 1.286 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000246702127 139117777 /nfs/dbraw/zinc/11/77/77/139117777.db2.gz CBDQDNQPHZRAQH-FUHWJXTLSA-N 2 0 336.476 1.846 20 0 EDADRP C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000247083298 139134999 /nfs/dbraw/zinc/13/49/99/139134999.db2.gz TYFJHYTWDGAMHH-IXDOHACOSA-N 2 0 338.540 1.638 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000415335929 304197167 /nfs/dbraw/zinc/19/71/67/304197167.db2.gz LUQWBKBOWIQSMV-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP CC[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065321 139157978 /nfs/dbraw/zinc/15/79/78/139157978.db2.gz ZIRVXOWVMKWEKH-MOPGFXCFSA-N 2 0 346.519 1.822 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248163852 139158985 /nfs/dbraw/zinc/15/89/85/139158985.db2.gz SPRLJGITUGMVQL-JYJNAYRXSA-N 2 0 339.480 1.106 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000261603951 139210015 /nfs/dbraw/zinc/21/00/15/139210015.db2.gz CEIFAGOHSQKSOJ-QAPCUYQASA-N 2 0 331.460 1.523 20 0 EDADRP [NH3+]CC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000261537222 139208619 /nfs/dbraw/zinc/20/86/19/139208619.db2.gz CNTUQPYUQRRYRT-QGZVFWFLSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000261613960 139211056 /nfs/dbraw/zinc/21/10/56/139211056.db2.gz BOCWOFGZJSXNKB-FHLIZLRMSA-N 2 0 331.460 1.520 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)CC[C@H]3CC[NH2+]C3)c2)CCO1 ZINC000261793523 139226586 /nfs/dbraw/zinc/22/65/86/139226586.db2.gz KMPSDRKBECSRAI-IRXDYDNUSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000261866479 139232669 /nfs/dbraw/zinc/23/26/69/139232669.db2.gz QEZCWUNOPDICEX-GFCCVEGCSA-N 2 0 333.436 1.578 20 0 EDADRP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000261918781 139236825 /nfs/dbraw/zinc/23/68/25/139236825.db2.gz YOTSBAKWTRKFTA-HZPDHXFCSA-N 2 0 333.480 1.056 20 0 EDADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1)OCCO2 ZINC000261943166 139239007 /nfs/dbraw/zinc/23/90/07/139239007.db2.gz NCFNFAOOSKRCCV-ZACQAIPSSA-N 2 0 332.444 1.747 20 0 EDADRP C[NH2+]CCC1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000262007689 139243545 /nfs/dbraw/zinc/24/35/45/139243545.db2.gz SBTSPDABDHAXEO-UHFFFAOYSA-N 2 0 338.374 1.086 20 0 EDADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000262034464 139245461 /nfs/dbraw/zinc/24/54/61/139245461.db2.gz OKIKBMZIJDOAQM-CQSZACIVSA-N 2 0 335.496 1.364 20 0 EDADRP CN(C)c1cccc([C@@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000262083133 139249589 /nfs/dbraw/zinc/24/95/89/139249589.db2.gz KVKXXOAJIKTLLW-SFHVURJKSA-N 2 0 330.476 1.711 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000415968659 251041086 /nfs/dbraw/zinc/04/10/86/251041086.db2.gz XWXFCYCPZYWZRB-AWEZNQCLSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000416188493 251055439 /nfs/dbraw/zinc/05/54/39/251055439.db2.gz ISYVUUSZONDGOX-QGZVFWFLSA-N 2 0 333.476 1.642 20 0 EDADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262243072 139262886 /nfs/dbraw/zinc/26/28/86/139262886.db2.gz WHLPDZAYHIGNLK-KRWDZBQOSA-N 2 0 331.460 1.524 20 0 EDADRP CC[NH+](CC)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000416789320 251109799 /nfs/dbraw/zinc/10/97/99/251109799.db2.gz KAZISSLOLUWDPY-QZTJIDSGSA-N 2 0 348.491 1.782 20 0 EDADRP C[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000262316378 139269441 /nfs/dbraw/zinc/26/94/41/139269441.db2.gz QXNCAVZPUHGZGC-KRWDZBQOSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417014465 251132151 /nfs/dbraw/zinc/13/21/51/251132151.db2.gz FFKYTQNIIIJFQU-QGZVFWFLSA-N 2 0 345.491 1.202 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417014793 251132470 /nfs/dbraw/zinc/13/24/70/251132470.db2.gz DYEUZRRAWWADNR-VVLHAWIVSA-N 2 0 340.512 1.502 20 0 EDADRP CC[C@H](CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417005555 251126843 /nfs/dbraw/zinc/12/68/43/251126843.db2.gz DMWNTFZDQJPQKX-ZTFGCOKTSA-N 2 0 330.476 1.812 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CC[NH2+]C1 ZINC000417026179 251139590 /nfs/dbraw/zinc/13/95/90/251139590.db2.gz SLWPQFUKTIIUFC-KRWDZBQOSA-N 2 0 345.491 1.107 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262325740 139270408 /nfs/dbraw/zinc/27/04/08/139270408.db2.gz DLQDPECTABCMQI-QGWWYQLQSA-N 2 0 345.487 1.504 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417543659 251184573 /nfs/dbraw/zinc/18/45/73/251184573.db2.gz GBUWLSLMSGKYNP-ZIAGYGMSSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417549993 251187049 /nfs/dbraw/zinc/18/70/49/251187049.db2.gz KJZLRBQKHRAQJJ-HNNXBMFYSA-N 2 0 348.491 1.298 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000262407027 139276816 /nfs/dbraw/zinc/27/68/16/139276816.db2.gz QGDUCGWGYQOUQJ-LSDHHAIUSA-N 2 0 337.489 1.455 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)[C@@H](C)C1 ZINC000417666378 251219027 /nfs/dbraw/zinc/21/90/27/251219027.db2.gz CQKIIKLKBOHHOD-LSDHHAIUSA-N 2 0 326.485 1.304 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C2(COC)CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000262417014 139277722 /nfs/dbraw/zinc/27/77/22/139277722.db2.gz UFEUTUBGMASBJV-GOSISDBHSA-N 2 0 347.503 1.984 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000417671725 251222584 /nfs/dbraw/zinc/22/25/84/251222584.db2.gz QZBJAVQFUYNUKG-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000417718705 251241156 /nfs/dbraw/zinc/24/11/56/251241156.db2.gz WERDMSCPIYJCEP-DOTOQJQBSA-N 2 0 334.464 1.269 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)CC2)nc1 ZINC000417722013 251243167 /nfs/dbraw/zinc/24/31/67/251243167.db2.gz AVLFHEMJYXQXQI-GJZGRUSLSA-N 2 0 331.464 1.751 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000417742649 251252293 /nfs/dbraw/zinc/25/22/93/251252293.db2.gz WHXUDADDBCHMCR-ROUUACIJSA-N 2 0 342.487 1.337 20 0 EDADRP C[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000417749737 251253795 /nfs/dbraw/zinc/25/37/95/251253795.db2.gz JNKHWWXMTOEFSA-DOTOQJQBSA-N 2 0 339.528 1.077 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417814093 251280074 /nfs/dbraw/zinc/28/00/74/251280074.db2.gz RPJDKWHIUUIAAN-CVEARBPZSA-N 2 0 340.512 1.693 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC[NH2+]CC1 ZINC000418109791 251324754 /nfs/dbraw/zinc/32/47/54/251324754.db2.gz DCOGPHCRLBRSHJ-MRXNPFEDSA-N 2 0 338.496 1.319 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418165200 251352087 /nfs/dbraw/zinc/35/20/87/251352087.db2.gz IFDAJMDREDYKIK-SFHVURJKSA-N 2 0 348.491 1.942 20 0 EDADRP CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)C1CC[NH2+]CC1 ZINC000418193598 251352499 /nfs/dbraw/zinc/35/24/99/251352499.db2.gz CCLBLLSUNPRPOD-UHFFFAOYSA-N 2 0 342.553 1.987 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199046 251354904 /nfs/dbraw/zinc/35/49/04/251354904.db2.gz IKRPQQZRRHTESM-OAHLLOKOSA-N 2 0 328.501 1.422 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418319276 251360205 /nfs/dbraw/zinc/36/02/05/251360205.db2.gz OQMXXVMQKHAGHY-MRXNPFEDSA-N 2 0 336.455 1.899 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418721788 251396515 /nfs/dbraw/zinc/39/65/15/251396515.db2.gz HIWVGHAGCLDAQG-CGTJXYLNSA-N 2 0 348.466 1.864 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000418749703 251410512 /nfs/dbraw/zinc/41/05/12/251410512.db2.gz MTFWSXMXMGCJQX-KURKYZTESA-N 2 0 330.476 1.903 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418678180 251383907 /nfs/dbraw/zinc/38/39/07/251383907.db2.gz VLNHMCJVHJHONF-CAPWYDJASA-N 2 0 349.523 1.018 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419006073 251470444 /nfs/dbraw/zinc/47/04/44/251470444.db2.gz SKIWZUXYKYOKHG-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000262637237 139292007 /nfs/dbraw/zinc/29/20/07/139292007.db2.gz IEXCHKJGONNMPV-BRWVUGGUSA-N 2 0 330.476 1.441 20 0 EDADRP C[C@H](NC(=O)C[NH2+]CC1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262660730 139294086 /nfs/dbraw/zinc/29/40/86/139294086.db2.gz XPMJPPRCVWWREJ-AWEZNQCLSA-N 2 0 348.466 1.754 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262672991 139295329 /nfs/dbraw/zinc/29/53/29/139295329.db2.gz PUFJXMPMFMQIAX-IBGZPJMESA-N 2 0 346.475 1.968 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000262712828 139298225 /nfs/dbraw/zinc/29/82/25/139298225.db2.gz SDJADTANPALTIW-LJQANCHMSA-N 2 0 332.492 1.568 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422885969 252012523 /nfs/dbraw/zinc/01/25/23/252012523.db2.gz ZTKLJJDOBRJVEA-PKOBYXMFSA-N 2 0 344.503 1.962 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(N2CCC(OC)CC2)CCCC1 ZINC000422891256 252013563 /nfs/dbraw/zinc/01/35/63/252013563.db2.gz UXZCSVFXOVLBPN-MRXNPFEDSA-N 2 0 327.513 1.754 20 0 EDADRP CCN(CC)S(=O)(=O)CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422857594 252001501 /nfs/dbraw/zinc/00/15/01/252001501.db2.gz HBFFTGUCPBECIZ-LBPRGKRZSA-N 2 0 328.482 1.171 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000422860494 252003983 /nfs/dbraw/zinc/00/39/83/252003983.db2.gz MORCQORESUMXKE-CZUORRHYSA-N 2 0 326.462 1.447 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000423175683 252041860 /nfs/dbraw/zinc/04/18/60/252041860.db2.gz ARFRQFJGXPDLAM-IBGZPJMESA-N 3 0 344.547 1.967 20 0 EDADRP COc1cc(CNC(=O)CC2(C[NH3+])CC2)ccc1OCC[NH+](C)C ZINC000423345021 252047187 /nfs/dbraw/zinc/04/71/87/252047187.db2.gz NNADSRWRUKCHDC-UHFFFAOYSA-N 2 0 335.448 1.381 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000423346876 252048181 /nfs/dbraw/zinc/04/81/81/252048181.db2.gz ZEUKANSJRRSYHS-YOEHRIQHSA-N 2 0 347.459 1.568 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353973 252050468 /nfs/dbraw/zinc/05/04/68/252050468.db2.gz CIRPNJIHFFBKRQ-ZNMIVQPWSA-N 2 0 336.484 1.113 20 0 EDADRP COC(=O)c1coc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423511322 252057336 /nfs/dbraw/zinc/05/73/36/252057336.db2.gz OQIIZCZXPKJVHF-IUDNXUCKSA-N 2 0 335.448 1.933 20 0 EDADRP COCC[C@@]1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000424004475 252112444 /nfs/dbraw/zinc/11/24/44/252112444.db2.gz AXGUTEPKDXRXAR-JZXOWHBKSA-N 2 0 335.423 1.095 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000424020512 252116105 /nfs/dbraw/zinc/11/61/05/252116105.db2.gz PDQJJRWPEUCIFG-WMZOPIPTSA-N 2 0 345.487 1.911 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCO1 ZINC000424023979 252118209 /nfs/dbraw/zinc/11/82/09/252118209.db2.gz QJTBSOHOGAKTDJ-SJLPKXTDSA-N 2 0 349.450 1.614 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424027771 252119281 /nfs/dbraw/zinc/11/92/81/252119281.db2.gz MXGVWUNBGFZDBH-SOLBZPMBSA-N 2 0 345.393 1.960 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000424168191 252151366 /nfs/dbraw/zinc/15/13/66/252151366.db2.gz ILZRTCVASTZJCD-GJZGRUSLSA-N 2 0 331.464 1.338 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424199513 252159742 /nfs/dbraw/zinc/15/97/42/252159742.db2.gz YVYXZKYSDBJRQU-OAGGEKHMSA-N 2 0 345.491 1.349 20 0 EDADRP [NH3+][C@@H]1CCCC[C@@H]1CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424222096 252167681 /nfs/dbraw/zinc/16/76/81/252167681.db2.gz IFQXDZHMXCVWST-CZUORRHYSA-N 2 0 331.464 1.557 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228642 252171641 /nfs/dbraw/zinc/17/16/41/252171641.db2.gz XKDXFMOOBXEENE-JQFCIGGWSA-N 2 0 343.475 1.571 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424129273 252133137 /nfs/dbraw/zinc/13/31/37/252133137.db2.gz CQTAROOMDDRPRV-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccsc1 ZINC000424132446 252135529 /nfs/dbraw/zinc/13/55/29/252135529.db2.gz KPUYQMQVXGMWKL-DZGCQCFKSA-N 2 0 348.476 1.297 20 0 EDADRP COCc1cccc(CNC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424288511 252189904 /nfs/dbraw/zinc/18/99/04/252189904.db2.gz KKEHJOIKBIYOET-INIZCTEOSA-N 2 0 345.487 1.913 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424293628 252192804 /nfs/dbraw/zinc/19/28/04/252192804.db2.gz PHHXVONIWHKXBA-CQSZACIVSA-N 2 0 345.443 1.876 20 0 EDADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262973863 139316272 /nfs/dbraw/zinc/31/62/72/139316272.db2.gz MCPIKKYCSBUUOB-MJGOQNOKSA-N 2 0 337.508 1.997 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476979 252246345 /nfs/dbraw/zinc/24/63/45/252246345.db2.gz KUFIEGNUNJRTNR-GDAAHCPNSA-N 2 0 342.487 1.900 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000157480563 285027545 /nfs/dbraw/zinc/02/75/45/285027545.db2.gz FYZZUMUEIYMVKS-IAGOWNOFSA-N 2 0 341.496 1.007 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)ccc1C[NH+](C)C ZINC000415675331 304254022 /nfs/dbraw/zinc/25/40/22/304254022.db2.gz LQBGYZIHMVCIMR-XJKSGUPXSA-N 2 0 332.448 1.252 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cn2)CC1 ZINC000570103228 306530515 /nfs/dbraw/zinc/53/05/15/306530515.db2.gz SHBJFXIJTHFRHC-UHFFFAOYSA-N 3 0 331.508 1.831 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120303553 285205062 /nfs/dbraw/zinc/20/50/62/285205062.db2.gz DVCJXRLQZLXSEN-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655135 285243712 /nfs/dbraw/zinc/24/37/12/285243712.db2.gz IVXZIBAANHAYOI-GOSISDBHSA-N 2 0 347.507 1.592 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154432929 224252324 /nfs/dbraw/zinc/25/23/24/224252324.db2.gz MRUXGJOZTKQDLC-QBPKDAKJSA-N 2 0 327.538 1.513 20 0 EDADRP C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492607694 255182788 /nfs/dbraw/zinc/18/27/88/255182788.db2.gz IIBJNPSWGPYSJW-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H](C)N1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000493894035 255225072 /nfs/dbraw/zinc/22/50/72/255225072.db2.gz KYPNJTQRQGVZJD-CALCHBBNSA-N 2 0 344.503 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341160794 285257387 /nfs/dbraw/zinc/25/73/87/285257387.db2.gz VAEGQJCLRRJHIM-GOSISDBHSA-N 2 0 344.503 1.869 20 0 EDADRP CN(C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)C1CC([NH3+])C1 ZINC000415789985 304271597 /nfs/dbraw/zinc/27/15/97/304271597.db2.gz OKZAAQIVCXWLAQ-UHFFFAOYSA-N 2 0 344.459 1.210 20 0 EDADRP CO[C@@H]1CC[N@H+](CCn2ccnc2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000495108298 255269004 /nfs/dbraw/zinc/26/90/04/255269004.db2.gz YZLLHUAHXACALZ-HUUCEWRRSA-N 2 0 338.452 1.887 20 0 EDADRP C[NH+]1CCC(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000496069444 255348665 /nfs/dbraw/zinc/34/86/65/255348665.db2.gz SWJCKNGNSWQKDC-UHFFFAOYSA-N 2 0 327.473 1.357 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496147149 255357195 /nfs/dbraw/zinc/35/71/95/255357195.db2.gz ODSVXFAXQGDLSU-WBVHZDCISA-N 2 0 335.448 1.741 20 0 EDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496382807 255389836 /nfs/dbraw/zinc/38/98/36/255389836.db2.gz VLDOHNRXQLKWSY-YQQAZPJKSA-N 2 0 335.448 1.739 20 0 EDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496264133 255372380 /nfs/dbraw/zinc/37/23/80/255372380.db2.gz NPNFMWOUAIPZOL-JZXOWHBKSA-N 2 0 349.475 1.858 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415799234 304273807 /nfs/dbraw/zinc/27/38/07/304273807.db2.gz DAUNGVYRQNVBOK-RBSFLKMASA-N 2 0 346.475 1.709 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2nccn21 ZINC000353731626 285279393 /nfs/dbraw/zinc/27/93/93/285279393.db2.gz XYAIBDIJPBPDOQ-IRXDYDNUSA-N 2 0 347.507 1.635 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)cc1 ZINC000118100760 221116357 /nfs/dbraw/zinc/11/63/57/221116357.db2.gz JZEJYIPHBHOPEI-KRWDZBQOSA-N 2 0 346.475 1.186 20 0 EDADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C[C@H]1CCC[NH+](C)C1 ZINC000118842316 221194461 /nfs/dbraw/zinc/19/44/61/221194461.db2.gz PUMJWDQVVILICX-HNNXBMFYSA-N 2 0 329.444 1.946 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)NC2CCCCC2)CC1 ZINC000118868439 221198830 /nfs/dbraw/zinc/19/88/30/221198830.db2.gz CAVCZVAFGAHMKX-UHFFFAOYSA-N 2 0 338.496 1.809 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000353875391 285333221 /nfs/dbraw/zinc/33/32/21/285333221.db2.gz VZRIYEAKSCRXFV-ROUUACIJSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000264338189 139398344 /nfs/dbraw/zinc/39/83/44/139398344.db2.gz YTBDZSXWIRIFSV-QGZVFWFLSA-N 2 0 348.491 1.515 20 0 EDADRP COCc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000264937484 139444546 /nfs/dbraw/zinc/44/45/46/139444546.db2.gz UVAVUUGSNTZXBR-UHFFFAOYSA-N 2 0 342.509 1.635 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000154997074 533498434 /nfs/dbraw/zinc/49/84/34/533498434.db2.gz VLXXHUTUTVUGSG-JKSUJKDBSA-N 2 0 346.475 1.930 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000271141276 140244659 /nfs/dbraw/zinc/24/46/59/140244659.db2.gz VIFTZYLMCYOKFC-YJBOKZPZSA-N 2 0 348.491 1.113 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333119100 141267165 /nfs/dbraw/zinc/26/71/65/141267165.db2.gz AICLXHWRQIHJEH-HZPDHXFCSA-N 2 0 338.496 1.448 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000333303236 141295704 /nfs/dbraw/zinc/29/57/04/141295704.db2.gz QJTLDRLDXMOQMW-XHSDSOJGSA-N 2 0 327.538 1.690 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N[C@H]1CCC[NH2+]C1 ZINC000333352042 141303943 /nfs/dbraw/zinc/30/39/43/141303943.db2.gz JUAHRSKFOBSVQE-INIZCTEOSA-N 2 0 338.496 1.320 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC000339959992 142213377 /nfs/dbraw/zinc/21/33/77/142213377.db2.gz QQBCAUADPOUVDP-OIISXLGYSA-N 2 0 328.416 1.658 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000340186590 142295855 /nfs/dbraw/zinc/29/58/55/142295855.db2.gz KBISTJWCFQHNFN-VKJFTORMSA-N 2 0 349.500 1.928 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343023842 142788178 /nfs/dbraw/zinc/78/81/78/142788178.db2.gz KCYGECSTSBMLIB-RKVPGOIHSA-N 2 0 340.512 1.070 20 0 EDADRP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000344823706 143016274 /nfs/dbraw/zinc/01/62/74/143016274.db2.gz HHZNRZGSNCQKGW-CQSZACIVSA-N 2 0 337.512 1.862 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345400559 143086696 /nfs/dbraw/zinc/08/66/96/143086696.db2.gz PTSZRIOQOJRSKZ-CABCVRRESA-N 2 0 328.501 1.061 20 0 EDADRP COC(C)(C)CC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000346235571 143181860 /nfs/dbraw/zinc/18/18/60/143181860.db2.gz GJFJTSHDIHEBSM-KRWDZBQOSA-N 2 0 327.513 1.528 20 0 EDADRP COC(=O)COc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000346694575 143232886 /nfs/dbraw/zinc/23/28/86/143232886.db2.gz UZTSVOIRSZZKCK-UHFFFAOYSA-N 2 0 336.432 1.568 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000347019767 143272206 /nfs/dbraw/zinc/27/22/06/143272206.db2.gz SJDQLWWEDHSQFI-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000347034271 143274424 /nfs/dbraw/zinc/27/44/24/143274424.db2.gz CMQAEXSJBLSWTQ-QRQLOZEOSA-N 2 0 332.492 1.338 20 0 EDADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347065377 143278157 /nfs/dbraw/zinc/27/81/57/143278157.db2.gz KTAFUHXHYZYZOF-MRXNPFEDSA-N 2 0 341.459 1.468 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc2cccnc12 ZINC000347075559 143279641 /nfs/dbraw/zinc/27/96/41/143279641.db2.gz UKRNGHNNZBPEBF-KRWDZBQOSA-N 2 0 326.444 1.830 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccc3)[nH]2)C1 ZINC000347110489 143283727 /nfs/dbraw/zinc/28/37/27/143283727.db2.gz PKVOGGCVFQRLLW-OAHLLOKOSA-N 2 0 327.432 1.364 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)[C@H]1CCSC1 ZINC000347515279 143331129 /nfs/dbraw/zinc/33/11/29/143331129.db2.gz NIEXVKAXLSFOFY-JKSUJKDBSA-N 2 0 341.521 1.137 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CCO1 ZINC000347562712 143335336 /nfs/dbraw/zinc/33/53/36/143335336.db2.gz UKLKTXFOPRTAMQ-CQSZACIVSA-N 2 0 329.444 1.615 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000347729770 143355345 /nfs/dbraw/zinc/35/53/45/143355345.db2.gz VHLHXRNUHCVELE-YJBOKZPZSA-N 2 0 349.475 1.382 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCC1(F)F ZINC000572961236 306605596 /nfs/dbraw/zinc/60/55/96/306605596.db2.gz VINXHKDVOQVPAY-AWEZNQCLSA-N 2 0 334.455 1.947 20 0 EDADRP COc1ccc([C@H](CNC(=O)N(C)CC[NH3+])[NH+]2CCCCC2)cc1 ZINC000416817681 304349929 /nfs/dbraw/zinc/34/99/29/304349929.db2.gz QFDITNPLKWEXKX-KRWDZBQOSA-N 2 0 334.464 1.822 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000416848823 304351801 /nfs/dbraw/zinc/35/18/01/304351801.db2.gz WZZQWLZOZSVELY-ROUUACIJSA-N 2 0 348.491 1.747 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416857194 304352043 /nfs/dbraw/zinc/35/20/43/304352043.db2.gz XZBCALHYANYHQM-ZWKOTPCHSA-N 2 0 330.476 1.695 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000416863888 304353312 /nfs/dbraw/zinc/35/33/12/304353312.db2.gz HJDRWZBWUJZZLA-GOEBONIOSA-N 2 0 326.485 1.112 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC1 ZINC000353178799 149314407 /nfs/dbraw/zinc/31/44/07/149314407.db2.gz CEGNGPMVBASZHG-UHFFFAOYSA-N 2 0 347.463 1.406 20 0 EDADRP CO[C@H](C[NH3+])C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000353424295 149399893 /nfs/dbraw/zinc/39/98/93/149399893.db2.gz FORXXLZFDDCYTB-MRXNPFEDSA-N 2 0 348.447 1.413 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416975465 304358963 /nfs/dbraw/zinc/35/89/63/304358963.db2.gz ZGVCMFXMENSGNF-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC(C)(C)CCC[NH3+])c1 ZINC000416975588 304359038 /nfs/dbraw/zinc/35/90/38/304359038.db2.gz OBBFJIRBLGCBCD-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000416979782 304360362 /nfs/dbraw/zinc/36/03/62/304360362.db2.gz XLDOWGKSPLSEKX-RDJZCZTQSA-N 2 0 334.464 1.554 20 0 EDADRP C[C@H](CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCCCC1 ZINC000355085968 150109190 /nfs/dbraw/zinc/10/91/90/150109190.db2.gz WWQOARREIZHWOM-ZACQAIPSSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000416986448 304361776 /nfs/dbraw/zinc/36/17/76/304361776.db2.gz ZJXWCBCIIUPJLA-OAHLLOKOSA-N 2 0 347.507 1.532 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000355371671 150239378 /nfs/dbraw/zinc/23/93/78/150239378.db2.gz RGCFBUMTNJOLAJ-OKZBNKHCSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417028773 304362174 /nfs/dbraw/zinc/36/21/74/304362174.db2.gz BUBYRXMEVSYJKC-HOTGVXAUSA-N 2 0 326.485 1.400 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CCOC1 ZINC000355435739 150266664 /nfs/dbraw/zinc/26/66/64/150266664.db2.gz AAHBYPGUERELHM-QGZVFWFLSA-N 2 0 328.501 1.328 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417030884 304362913 /nfs/dbraw/zinc/36/29/13/304362913.db2.gz PTIDPFAREPMEAV-GOSISDBHSA-N 2 0 345.491 1.028 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000417042267 304365257 /nfs/dbraw/zinc/36/52/57/304365257.db2.gz NGEFLRJBMREPOE-JFIYKMOQSA-N 2 0 345.491 1.328 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)CCOC1C[NH2+]C1 ZINC000357359917 151007192 /nfs/dbraw/zinc/00/71/92/151007192.db2.gz GJWAGPALIJKUDK-UHFFFAOYSA-N 2 0 341.402 1.234 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000357913462 151193406 /nfs/dbraw/zinc/19/34/06/151193406.db2.gz NRRDVANLHKWVET-KGLIPLIRSA-N 2 0 333.567 1.565 20 0 EDADRP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000358072070 151258633 /nfs/dbraw/zinc/25/86/33/151258633.db2.gz BIRRUORHOFKRJG-OAHLLOKOSA-N 2 0 338.496 1.389 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCOc1ccc(F)cc1 ZINC000358507054 151398386 /nfs/dbraw/zinc/39/83/86/151398386.db2.gz MSDPKAHQWXNAAD-UHFFFAOYSA-N 2 0 335.423 1.396 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)CN2CCOCC2)C1 ZINC000573914314 306638188 /nfs/dbraw/zinc/63/81/88/306638188.db2.gz ZYYRJVCTOYIAQZ-KURKYZTESA-N 2 0 327.513 1.027 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000360803039 152211751 /nfs/dbraw/zinc/21/17/51/152211751.db2.gz UKUXZCKOMFAEKE-JYJNAYRXSA-N 2 0 328.501 1.203 20 0 EDADRP CC(C)(C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)N1CCOCC1 ZINC000370143657 155346787 /nfs/dbraw/zinc/34/67/87/155346787.db2.gz XFBMHOGXLFKBAC-NVXWUHKLSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354134 152370072 /nfs/dbraw/zinc/37/00/72/152370072.db2.gz WHPZBJKNQQBGHV-FUHWJXTLSA-N 2 0 334.508 1.523 20 0 EDADRP CN(CC[N@@H+]1CCCOCC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000361381497 152377706 /nfs/dbraw/zinc/37/77/06/152377706.db2.gz OAZXQUBBZMPJJR-OALUTQOASA-N 2 0 332.492 1.729 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000417158574 304379055 /nfs/dbraw/zinc/37/90/55/304379055.db2.gz BJGXQDPGCFITSI-OLZOCXBDSA-N 2 0 332.370 1.710 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000417180318 304381094 /nfs/dbraw/zinc/38/10/94/304381094.db2.gz QQHMGJMNTCUYMT-HZPDHXFCSA-N 2 0 338.427 1.188 20 0 EDADRP CCN1CC[C@@H](NC(=O)C[NH+](C)C)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000363676029 153026313 /nfs/dbraw/zinc/02/63/13/153026313.db2.gz VJJPZBOKNBVRIQ-CZUORRHYSA-N 2 0 329.366 1.917 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000363798221 153059523 /nfs/dbraw/zinc/05/95/23/153059523.db2.gz BHNCXEQTUJUZBX-AYOQOUSVSA-N 2 0 327.472 1.965 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000363897510 153090141 /nfs/dbraw/zinc/09/01/41/153090141.db2.gz PSJMDOJIAIBXKB-XOKHGSTOSA-N 2 0 332.448 1.471 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364163561 153160311 /nfs/dbraw/zinc/16/03/11/153160311.db2.gz ZXQGTNPIXDXAQX-INIZCTEOSA-N 2 0 325.497 1.555 20 0 EDADRP [NH2+]=C(NCCCN1CCOCC1)N[C@@H]1C[C@@H](CO)c2ccccc21 ZINC000364279148 153195054 /nfs/dbraw/zinc/19/50/54/153195054.db2.gz GFODYZMCKIQBHX-WMLDXEAASA-N 2 0 332.448 1.044 20 0 EDADRP CCSCCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367108305 154010691 /nfs/dbraw/zinc/01/06/91/154010691.db2.gz UAGIJFCVXLTYMT-MRXNPFEDSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@@H](C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209506 154041410 /nfs/dbraw/zinc/04/14/10/154041410.db2.gz RDRFWIOQCPFAQI-GJZGRUSLSA-N 2 0 328.522 1.863 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367401570 154107071 /nfs/dbraw/zinc/10/70/71/154107071.db2.gz LVLYYYMAEQJGIL-AVVWSFFYSA-N 2 0 339.480 1.426 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000367590630 154189348 /nfs/dbraw/zinc/18/93/48/154189348.db2.gz SSKKRDUBUFKBAX-ZWKOTPCHSA-N 2 0 330.476 1.984 20 0 EDADRP C[NH2+][C@@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000367648157 154213067 /nfs/dbraw/zinc/21/30/67/154213067.db2.gz FUXWEFDNGQAILL-GOSISDBHSA-N 2 0 347.507 1.651 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367743860 154251619 /nfs/dbraw/zinc/25/16/19/154251619.db2.gz JFJUYJSUXYQQRY-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000369567589 155088970 /nfs/dbraw/zinc/08/89/70/155088970.db2.gz UBRGRMDUIOFLKB-OAGGEKHMSA-N 2 0 331.464 1.506 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCSC3)C2)CC1 ZINC000369633346 155116598 /nfs/dbraw/zinc/11/65/98/155116598.db2.gz ZENSGMMESUHLMJ-ZIAGYGMSSA-N 2 0 326.510 1.207 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000245661894 292337255 /nfs/dbraw/zinc/33/72/55/292337255.db2.gz QAGLSVWFEFVMTF-QZTJIDSGSA-N 2 0 348.491 1.699 20 0 EDADRP Cc1nc(CN2CCC[C@@H]([N@H+](C)CCCn3ccnc3C)C2)no1 ZINC000372254722 156288891 /nfs/dbraw/zinc/28/88/91/156288891.db2.gz HVSWFVBQPDMRRU-MRXNPFEDSA-N 2 0 332.452 1.869 20 0 EDADRP Cn1ccc(N2CC[C@@H]([NH+]3CCC(CCC[NH+](C)C)CC3)C2=O)n1 ZINC000372449268 156394820 /nfs/dbraw/zinc/39/48/20/156394820.db2.gz FVAFUSFTZMMIQX-MRXNPFEDSA-N 2 0 333.480 1.579 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000417546010 304404760 /nfs/dbraw/zinc/40/47/60/304404760.db2.gz LDSAPTKFSSNRMM-UHFFFAOYSA-N 2 0 328.501 1.502 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000373426159 156845519 /nfs/dbraw/zinc/84/55/19/156845519.db2.gz JMPSNMKBYDSQLU-VQIMIIECSA-N 2 0 343.427 1.534 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000369660637 292351766 /nfs/dbraw/zinc/35/17/66/292351766.db2.gz KRXKELLLRGTWFE-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP COC(=O)[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC12CCC2 ZINC000374287993 157226207 /nfs/dbraw/zinc/22/62/07/157226207.db2.gz OLETZSVOAVKVJE-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@]2(N3CCOCC3)CCCOC2)CC1 ZINC000378185361 158103341 /nfs/dbraw/zinc/10/33/41/158103341.db2.gz QPQTWAJWHWVZOL-GOSISDBHSA-N 2 0 325.497 1.330 20 0 EDADRP CC1(C[NH+]2CCOCC2)CC[NH+](CC2CCS(=O)(=O)CC2)CC1 ZINC000378429365 158170509 /nfs/dbraw/zinc/17/05/09/158170509.db2.gz LJCIVWYPXKKHKB-UHFFFAOYSA-N 2 0 344.521 1.246 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCC[NH2+]C1 ZINC000417913322 304430349 /nfs/dbraw/zinc/43/03/49/304430349.db2.gz QAKQNWJJIOXMBH-RYRKJORJSA-N 2 0 338.496 1.053 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCC[NH2+]C1 ZINC000417913320 304430440 /nfs/dbraw/zinc/43/04/40/304430440.db2.gz QAKQNWJJIOXMBH-JZXOWHBKSA-N 2 0 338.496 1.053 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417920927 304431391 /nfs/dbraw/zinc/43/13/91/304431391.db2.gz ZFPCUOLJVCTADF-IAGOWNOFSA-N 2 0 338.496 1.196 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000352214461 162054447 /nfs/dbraw/zinc/05/44/47/162054447.db2.gz PVMQZEIRDHMOPP-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000418058126 304452398 /nfs/dbraw/zinc/45/23/98/304452398.db2.gz OSGLCVTVUKYTAD-MAUKXSAKSA-N 2 0 332.492 1.917 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261863995 287272677 /nfs/dbraw/zinc/27/26/77/287272677.db2.gz SLNWKBNDMVPMAG-SOLBZPMBSA-N 2 0 337.508 1.853 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000171188859 226933226 /nfs/dbraw/zinc/93/32/26/226933226.db2.gz QAWORIILIGYZAT-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000418466502 304498841 /nfs/dbraw/zinc/49/88/41/304498841.db2.gz HGGXBWXDVQVBGH-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP COc1ccc(CCNC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000260391573 273017004 /nfs/dbraw/zinc/01/70/04/273017004.db2.gz FAXQCWZYILWQGN-UHFFFAOYSA-N 2 0 335.448 1.033 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000237927807 267933123 /nfs/dbraw/zinc/93/31/23/267933123.db2.gz HAZMQDJKFZVXQF-OAHLLOKOSA-N 2 0 341.521 1.233 20 0 EDADRP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865517 268226316 /nfs/dbraw/zinc/22/63/16/268226316.db2.gz DSWJTIIUNIWYCU-WMZOPIPTSA-N 2 0 345.487 1.769 20 0 EDADRP CC(C)N1CC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000275220383 268303040 /nfs/dbraw/zinc/30/30/40/268303040.db2.gz LBFZXLBGCNDHIL-UHFFFAOYSA-N 2 0 330.476 1.256 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1(C)C ZINC000275407750 268338610 /nfs/dbraw/zinc/33/86/10/268338610.db2.gz CPQOXDXGXNFHAR-DYVFJYSZSA-N 2 0 329.404 1.738 20 0 EDADRP CNS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275842737 268377555 /nfs/dbraw/zinc/37/75/55/268377555.db2.gz HFLWVQJFXSNPRU-GOEBONIOSA-N 2 0 325.478 1.036 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000276981817 273174065 /nfs/dbraw/zinc/17/40/65/273174065.db2.gz GUXPEHCMEXLTHP-WOJBJXKFSA-N 2 0 347.503 1.588 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000277026362 273177786 /nfs/dbraw/zinc/17/77/86/273177786.db2.gz JRGONTZXFWCLFS-GDBMZVCRSA-N 2 0 347.488 1.902 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000277284886 273187268 /nfs/dbraw/zinc/18/72/68/273187268.db2.gz IPPWAYSOROUNEI-RTBURBONSA-N 2 0 347.503 1.980 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NC[C@H]1CSCC[N@@H+]1Cc1ccccc1 ZINC000277355300 273191848 /nfs/dbraw/zinc/19/18/48/273191848.db2.gz OGVOLSQCAXMHTP-NADMHLTPSA-N 2 0 333.501 1.838 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cnccn1 ZINC000279667788 273315864 /nfs/dbraw/zinc/31/58/64/273315864.db2.gz HGAOTIOTHOPYRL-QGZVFWFLSA-N 2 0 333.480 1.284 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363662281 276154606 /nfs/dbraw/zinc/15/46/06/276154606.db2.gz MWEZJSKUPGGXPI-XMTFNYHQSA-N 2 0 337.508 1.866 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000359919547 276231917 /nfs/dbraw/zinc/23/19/17/276231917.db2.gz VEHQUXKYWXRCGW-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000355446465 276286196 /nfs/dbraw/zinc/28/61/96/276286196.db2.gz PZAPIFBZCNLECF-SQNIBIBYSA-N 2 0 338.540 1.638 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000285930158 287893694 /nfs/dbraw/zinc/89/36/94/287893694.db2.gz FMPNQNNJGMUCRM-AWEZNQCLSA-N 2 0 341.402 1.234 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ncn1 ZINC000375804401 277043082 /nfs/dbraw/zinc/04/30/82/277043082.db2.gz HZCJTQPRQACQRE-VQHPVUNQSA-N 2 0 344.507 1.950 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3[C@H]4CCO[C@H]4C34CCC4)ccn2)CC1 ZINC000193976878 277112407 /nfs/dbraw/zinc/11/24/07/277112407.db2.gz DOZPNUSPGPZJGT-BHIYHBOVSA-N 2 0 342.487 1.881 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000347042419 277226582 /nfs/dbraw/zinc/22/65/82/277226582.db2.gz KQZKTZWOQXPQIM-ZACQAIPSSA-N 2 0 340.512 1.374 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417090450 277300979 /nfs/dbraw/zinc/30/09/79/277300979.db2.gz WLDGCIBCYNETNK-HNNXBMFYSA-N 2 0 330.476 1.732 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000348011582 277310488 /nfs/dbraw/zinc/31/04/88/277310488.db2.gz RVDDGZDNEOIOCX-BZUAXINKSA-N 2 0 341.521 1.135 20 0 EDADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000370208670 277551061 /nfs/dbraw/zinc/55/10/61/277551061.db2.gz YVRDNJNQZURHPB-OAGGEKHMSA-N 2 0 337.508 1.865 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000251547322 278187751 /nfs/dbraw/zinc/18/77/51/278187751.db2.gz GZPJYAYSPAVXMV-ZACQAIPSSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000332235273 278479502 /nfs/dbraw/zinc/47/95/02/278479502.db2.gz GGSHTFCZWWCAPU-LSDHHAIUSA-N 2 0 331.526 1.829 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286667222 288057997 /nfs/dbraw/zinc/05/79/97/288057997.db2.gz UYWDPSHCOHZHAY-JCHJZTRSSA-N 2 0 345.487 1.611 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000333876568 278940671 /nfs/dbraw/zinc/94/06/71/278940671.db2.gz VKKILJGBLHODPL-GOEBONIOSA-N 2 0 331.526 1.414 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000336871210 279092311 /nfs/dbraw/zinc/09/23/11/279092311.db2.gz LPFSDLYSZJSOLK-QGZVFWFLSA-N 2 0 345.553 1.712 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000359552047 279142143 /nfs/dbraw/zinc/14/21/43/279142143.db2.gz BTNVVEKRGHDXTC-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000422025978 279258607 /nfs/dbraw/zinc/25/86/07/279258607.db2.gz UDDMNLMCLLRNAH-LJQANCHMSA-N 2 0 348.535 1.632 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451258194 279357879 /nfs/dbraw/zinc/35/78/79/279357879.db2.gz FEHWFTRKQUXLID-SFHVURJKSA-N 2 0 336.524 1.537 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000333135927 279375610 /nfs/dbraw/zinc/37/56/10/279375610.db2.gz KFJSNBUUHJJNGG-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCN(C)[C@@H](Cc2ccccc2)C1 ZINC000287223182 288185024 /nfs/dbraw/zinc/18/50/24/288185024.db2.gz DRYLULYUVCDMLQ-SFHVURJKSA-N 2 0 348.491 1.133 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000287308510 288206038 /nfs/dbraw/zinc/20/60/38/288206038.db2.gz DWVFOGGAVNOWNJ-RHSMWYFYSA-N 2 0 329.444 1.993 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000262853044 280217910 /nfs/dbraw/zinc/21/79/10/280217910.db2.gz VOIQJFKKWAIZQC-DLBZAZTESA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H](NC(=O)NCCCN1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287425884 288235689 /nfs/dbraw/zinc/23/56/89/288235689.db2.gz YSIJNPBSMAFLAV-AEFFLSMTSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333858942 288327294 /nfs/dbraw/zinc/32/72/94/288327294.db2.gz YXMAUFGOSPFDIP-QSJFSLAZSA-N 2 0 348.495 1.195 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000261617171 282070224 /nfs/dbraw/zinc/07/02/24/282070224.db2.gz BKLZHVGUIAJWHH-UHFFFAOYSA-N 2 0 338.540 1.818 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000290358609 288886027 /nfs/dbraw/zinc/88/60/27/288886027.db2.gz JIBWANYTYYTJBD-MSOLQXFVSA-N 2 0 329.488 1.836 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)N1CCCCCC1 ZINC000344343142 289114165 /nfs/dbraw/zinc/11/41/65/289114165.db2.gz FBHITIUAIQLBDR-UHFFFAOYSA-N 2 0 348.557 1.313 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188959397 289145766 /nfs/dbraw/zinc/14/57/66/289145766.db2.gz IPMZDNILDGISFX-UHFFFAOYSA-N 2 0 345.422 1.399 20 0 EDADRP C[C@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262464731 289286105 /nfs/dbraw/zinc/28/61/05/289286105.db2.gz XPMKHMHERBGXSC-KRWDZBQOSA-N 2 0 344.503 1.118 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CCn3cncc3C2)[NH+](C)C)c1 ZINC000292306974 289312149 /nfs/dbraw/zinc/31/21/49/289312149.db2.gz HZIOQEJKFQDAFO-QGZVFWFLSA-N 2 0 343.431 1.720 20 0 EDADRP C[C@H](CCN1CCOCC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422910989 289485271 /nfs/dbraw/zinc/48/52/71/289485271.db2.gz JTGOPDJSVRJXSS-POAQFYNOSA-N 2 0 345.487 1.943 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000424466108 295299705 /nfs/dbraw/zinc/29/97/05/295299705.db2.gz SVLUUYFZKXVSRM-NCOADZHNSA-N 2 0 338.496 1.323 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)COC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423841879 295330043 /nfs/dbraw/zinc/33/00/43/295330043.db2.gz ZYTZWEYKMORIPV-HKUYNNGSSA-N 2 0 345.443 1.078 20 0 EDADRP CSC1(C[NH2+][C@H]2CCCC[C@H]2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000353625187 295583354 /nfs/dbraw/zinc/58/33/54/295583354.db2.gz RTBUUACHJIFCMD-UONOGXRCSA-N 2 0 334.551 1.759 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000418553886 304512058 /nfs/dbraw/zinc/51/20/58/304512058.db2.gz ICBTZMDZDNTWHA-MAUKXSAKSA-N 2 0 348.491 1.909 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C(F)F ZINC000418700556 304529785 /nfs/dbraw/zinc/52/97/85/304529785.db2.gz CDVFVJMQBSETJV-DLBDZGDPSA-N 2 0 330.423 1.422 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418922725 304550212 /nfs/dbraw/zinc/55/02/12/304550212.db2.gz DUOBQTXIXGDFEC-ZIAGYGMSSA-N 2 0 334.464 1.169 20 0 EDADRP C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[NH+]1CCCCCC1 ZINC000193669901 298024173 /nfs/dbraw/zinc/02/41/73/298024173.db2.gz NCQZDQRYYRARAD-CVEARBPZSA-N 2 0 338.496 1.097 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419720215 304671142 /nfs/dbraw/zinc/67/11/42/304671142.db2.gz YGXLSDFMASMCLB-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]C1 ZINC000237545185 300762047 /nfs/dbraw/zinc/76/20/47/300762047.db2.gz KXKBYSPVNQOXSP-INIZCTEOSA-N 2 0 325.522 1.854 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419641153 447313414 /nfs/dbraw/zinc/31/34/14/447313414.db2.gz KZBDBCLLZYLXOJ-PBHICJAKSA-N 2 0 346.475 1.093 20 0 EDADRP C[C@H]1C[C@H](C[N@@H+]2CCc3ccc(S(C)(=O)=O)cc3CC2)CC[NH2+]1 ZINC000414766067 447323880 /nfs/dbraw/zinc/32/38/80/447323880.db2.gz QSQKALSDJKKFDC-LSDHHAIUSA-N 2 0 336.501 1.879 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000655242779 453361541 /nfs/dbraw/zinc/36/15/41/453361541.db2.gz KUDUXAKUIUJIEJ-CWRNSKLLSA-N 2 0 325.522 1.660 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)CO ZINC000295305284 303202478 /nfs/dbraw/zinc/20/24/78/303202478.db2.gz VIBCMBPCTPFAON-UHFFFAOYSA-N 2 0 347.503 1.849 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000296461125 303317957 /nfs/dbraw/zinc/31/79/57/303317957.db2.gz OVAPAWUAENNVRJ-INIZCTEOSA-N 2 0 330.476 1.061 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@@H]3O)CC1)CO2 ZINC000296670280 303329951 /nfs/dbraw/zinc/32/99/51/303329951.db2.gz FVEMRXJROAMBGE-UHOSZYNNSA-N 2 0 346.471 1.966 20 0 EDADRP CC[C@@H](O)CN1CCN(C(=O)Nc2cc(C)c3nccn3c2)CC1 ZINC000297035676 303356413 /nfs/dbraw/zinc/35/64/13/303356413.db2.gz RIQLBXAZNPQKTM-OAHLLOKOSA-N 2 0 331.420 1.563 20 0 EDADRP COc1cc(CN[C@@H]2CC[NH2+]C2)ccc1OCC(=O)N1CCCC1 ZINC000414882876 447341917 /nfs/dbraw/zinc/34/19/17/447341917.db2.gz MZBXNCJQNAPCSU-OAHLLOKOSA-N 2 0 333.432 1.148 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCc2nccs2)CC[NH2+]CC1 ZINC000422914754 304880149 /nfs/dbraw/zinc/88/01/49/304880149.db2.gz VVINMSBWRMTABL-CYBMUJFWSA-N 2 0 325.478 1.987 20 0 EDADRP O=C(c1ccccc1)N1C[C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997968 304882715 /nfs/dbraw/zinc/88/27/15/304882715.db2.gz VUJMAFPESUACJE-CEXWTWQISA-N 2 0 342.487 1.317 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](COC)[C@H]2CCCO2)CC[NH2+]CC1 ZINC000423089420 304885496 /nfs/dbraw/zinc/88/54/96/304885496.db2.gz VHBZXEGNPKKLOW-RRFJBIMHSA-N 2 0 328.453 1.091 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423108568 304886593 /nfs/dbraw/zinc/88/65/93/304886593.db2.gz TZYZSMRUNPIVPD-LBPRGKRZSA-N 2 0 333.885 1.725 20 0 EDADRP COc1ccc([C@H](NCCCN2CC[NH2+]CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423194758 304889101 /nfs/dbraw/zinc/88/91/01/304889101.db2.gz YRDKNLBGSADQEU-MOPGFXCFSA-N 2 0 332.492 1.373 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])Cc2ccccc2C1 ZINC000424459792 304930661 /nfs/dbraw/zinc/93/06/61/304930661.db2.gz HGHYLIUWSDITIV-IAGOWNOFSA-N 2 0 330.476 1.655 20 0 EDADRP COc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000414897544 447348148 /nfs/dbraw/zinc/34/81/48/447348148.db2.gz RMVFRRKMSPKJEF-CQSZACIVSA-N 2 0 335.448 1.523 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989018 305003098 /nfs/dbraw/zinc/00/30/98/305003098.db2.gz RDBCYUQXPHEJRM-YOEHRIQHSA-N 2 0 343.537 1.511 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)NCCCN3CC[NH2+]CC3)ccc21 ZINC000428754752 305016807 /nfs/dbraw/zinc/01/68/07/305016807.db2.gz TXOOMJHAVINSQN-UHFFFAOYSA-N 2 0 343.475 1.015 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000428994720 305021936 /nfs/dbraw/zinc/02/19/36/305021936.db2.gz FWUZBQKEILNYOC-MDZRGWNJSA-N 2 0 348.535 1.392 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000429673924 305034583 /nfs/dbraw/zinc/03/45/83/305034583.db2.gz BOVYAOBUAPAIMY-RTBURBONSA-N 2 0 338.540 1.199 20 0 EDADRP COc1cc2c(cc1OC)CN(C(=O)CN[C@](C)(C[NH3+])C(C)C)CC2 ZINC000430569787 305056464 /nfs/dbraw/zinc/05/64/64/305056464.db2.gz JBAIIAXWGMLEDN-LJQANCHMSA-N 2 0 349.475 1.552 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430597875 305057777 /nfs/dbraw/zinc/05/77/77/305057777.db2.gz BEHPDESXEVKOQI-CYBMUJFWSA-N 2 0 335.448 1.379 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CCCOc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000430637972 305060498 /nfs/dbraw/zinc/06/04/98/305060498.db2.gz DYDHTRRXOJFZKP-MRXNPFEDSA-N 2 0 349.450 1.738 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000430677600 305062201 /nfs/dbraw/zinc/06/22/01/305062201.db2.gz GPTUBFQPWSQCKI-GOSISDBHSA-N 2 0 347.459 1.350 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000430705768 305062887 /nfs/dbraw/zinc/06/28/87/305062887.db2.gz BNNGVSNNHJYDIB-KRWDZBQOSA-N 2 0 333.476 1.562 20 0 EDADRP O=C(COC1C[NH2+]C1)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000430752224 305063980 /nfs/dbraw/zinc/06/39/80/305063980.db2.gz BCAKOKAQZMGYMN-INIZCTEOSA-N 2 0 337.851 1.582 20 0 EDADRP [NH3+]C[C@@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430938607 305069500 /nfs/dbraw/zinc/06/95/00/305069500.db2.gz INBHXGQXBJRWHW-INIZCTEOSA-N 2 0 348.516 1.455 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000430950618 305070316 /nfs/dbraw/zinc/07/03/16/305070316.db2.gz IHYSXSIPYCSCDN-KSSFIOAISA-N 2 0 349.450 1.785 20 0 EDADRP CN(C(=O)CC1CC[NH2+]CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000431013719 305072827 /nfs/dbraw/zinc/07/28/27/305072827.db2.gz GGOZNUDALLGSPZ-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP CCN(C[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1)CC(F)(F)F ZINC000431068938 305074193 /nfs/dbraw/zinc/07/41/93/305074193.db2.gz DMTMNAMXJWKZKF-NSHDSACASA-N 2 0 349.401 1.970 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432937002 305098185 /nfs/dbraw/zinc/09/81/85/305098185.db2.gz GEVJDSZPPLRRQP-AWEZNQCLSA-N 2 0 326.403 1.980 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433328577 305105997 /nfs/dbraw/zinc/10/59/97/305105997.db2.gz AMVLZWYMXZTNHB-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433388387 305107491 /nfs/dbraw/zinc/10/74/91/305107491.db2.gz JAJYMZQQSBMEPG-HNNXBMFYSA-N 2 0 336.484 1.445 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000435375123 305139258 /nfs/dbraw/zinc/13/92/58/305139258.db2.gz ZUJNJCIHXYCYKP-CYBMUJFWSA-N 2 0 331.420 1.265 20 0 EDADRP C[C@@H](C(=O)N1CCN(CC[NH+]2CCCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000435944693 305149864 /nfs/dbraw/zinc/14/98/64/305149864.db2.gz SVSGTHUOVHDGQD-KSZLIROESA-N 2 0 336.524 1.488 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000436056499 305151707 /nfs/dbraw/zinc/15/17/07/305151707.db2.gz ZCCFLBDCZALCNR-GFCCVEGCSA-N 2 0 325.375 1.275 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436488729 305158652 /nfs/dbraw/zinc/15/86/52/305158652.db2.gz NOZALSJHDIGQON-GJZGRUSLSA-N 2 0 334.468 1.535 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438560223 305186996 /nfs/dbraw/zinc/18/69/96/305186996.db2.gz FAAMOEXMVVOMTH-GOSISDBHSA-N 2 0 337.508 1.963 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000438828015 305189524 /nfs/dbraw/zinc/18/95/24/305189524.db2.gz FEWHOVUAGXFDAV-SFHVURJKSA-N 2 0 343.475 1.803 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000439484483 305198423 /nfs/dbraw/zinc/19/84/23/305198423.db2.gz FBMWCZMCHPCBPX-HLLBOEOZSA-N 2 0 340.537 1.692 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000440179481 305204396 /nfs/dbraw/zinc/20/43/96/305204396.db2.gz OTDLNGLQIQYMET-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000441208944 305218939 /nfs/dbraw/zinc/21/89/39/305218939.db2.gz YRXVCHHJJLVJBH-YSTOQKLRSA-N 2 0 348.487 1.748 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000441268659 305219967 /nfs/dbraw/zinc/21/99/67/305219967.db2.gz YRXVCHHJJLVJBH-FYQPLNBISA-N 2 0 348.487 1.748 20 0 EDADRP C[C@@H]1[C@@H](C)N(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000442306994 305228568 /nfs/dbraw/zinc/22/85/68/305228568.db2.gz POZOUNWFSDQVAO-HUUCEWRRSA-N 2 0 346.475 1.280 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446358673 305263671 /nfs/dbraw/zinc/26/36/71/305263671.db2.gz ASVHNJRUGNMYCZ-YZLZLFLDSA-N 2 0 349.519 1.900 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000446372858 305263950 /nfs/dbraw/zinc/26/39/50/305263950.db2.gz YDZYROPEDVKQKL-NTODXPRQSA-N 2 0 337.508 1.898 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)Cc1ccccc1 ZINC000446571779 305267079 /nfs/dbraw/zinc/26/70/79/305267079.db2.gz KRJCFGPBKILTLW-QGZVFWFLSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446616777 305268003 /nfs/dbraw/zinc/26/80/03/305268003.db2.gz FMOOULXVIFGCPI-UHFFFAOYSA-N 2 0 333.480 1.639 20 0 EDADRP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000447512247 305281003 /nfs/dbraw/zinc/28/10/03/305281003.db2.gz XPSVBLHIEXAUDC-ZWKOTPCHSA-N 2 0 344.503 1.846 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCOCC(F)(F)C(F)F)CC1 ZINC000451977980 305375853 /nfs/dbraw/zinc/37/58/53/305375853.db2.gz FLSPIKQOVGRVKY-UHFFFAOYSA-N 2 0 343.409 1.909 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCCCC1 ZINC000452376072 305394963 /nfs/dbraw/zinc/39/49/63/305394963.db2.gz YQMNDLZTBVKTOO-INIZCTEOSA-N 2 0 325.497 1.462 20 0 EDADRP CC[C@@H]1C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454425664 305426398 /nfs/dbraw/zinc/42/63/98/305426398.db2.gz PGJLEWLIOWAECD-SJORKVTESA-N 2 0 345.491 1.939 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489775071 305565903 /nfs/dbraw/zinc/56/59/03/305565903.db2.gz JHFRFWUVVSWBHY-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP COc1cc(CNC(=O)/C=C\C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000491872193 305579595 /nfs/dbraw/zinc/57/95/95/305579595.db2.gz RLPMBQWJSNQGJU-SREVYHEPSA-N 2 0 335.448 1.370 20 0 EDADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)[C@@H]2C1 ZINC000425897264 447353729 /nfs/dbraw/zinc/35/37/29/447353729.db2.gz SNEYLGJABWMDMB-JQHSSLGASA-N 2 0 346.475 1.878 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425903836 447355040 /nfs/dbraw/zinc/35/50/40/447355040.db2.gz WVHXDXYKNHNTKF-HUUCEWRRSA-N 2 0 334.464 1.878 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000419705470 447361688 /nfs/dbraw/zinc/36/16/88/447361688.db2.gz ZTQVYEMNFREITR-HZPDHXFCSA-N 2 0 340.512 1.103 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2cc[nH]c21 ZINC000525970593 305831497 /nfs/dbraw/zinc/83/14/97/305831497.db2.gz APRDORUNRHXDJE-UHFFFAOYSA-N 2 0 331.464 1.803 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529340385 305910234 /nfs/dbraw/zinc/91/02/34/305910234.db2.gz MTLWTQYGTRTAQU-IRXDYDNUSA-N 2 0 338.496 1.319 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000540927920 306041958 /nfs/dbraw/zinc/04/19/58/306041958.db2.gz LPMLTZDYRLJJQD-UHFFFAOYSA-N 2 0 334.464 1.259 20 0 EDADRP CC(C)[C@H]1C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000541049363 306043672 /nfs/dbraw/zinc/04/36/72/306043672.db2.gz OHRLVWGLFXQXDO-IAGOWNOFSA-N 2 0 327.513 1.780 20 0 EDADRP CC[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000556850962 306220111 /nfs/dbraw/zinc/22/01/11/306220111.db2.gz XFXWJPFQXXMSNM-UYAOXDASSA-N 2 0 345.487 1.470 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@H](C)C1 ZINC000426036825 447382098 /nfs/dbraw/zinc/38/20/98/447382098.db2.gz PRWZCEFYMBLDBU-ZBFHGGJFSA-N 2 0 345.553 1.899 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000456379674 447380851 /nfs/dbraw/zinc/38/08/51/447380851.db2.gz MYYBKDOJWLIIMG-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000414981249 447382836 /nfs/dbraw/zinc/38/28/36/447382836.db2.gz WSYFRELBPLZCLC-OLZOCXBDSA-N 2 0 334.464 1.737 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CC)C(=O)NC)CC1 ZINC000449774987 447394857 /nfs/dbraw/zinc/39/48/57/447394857.db2.gz MMNTUTBLRBTJCA-KRWDZBQOSA-N 2 0 332.492 1.833 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419777950 447406334 /nfs/dbraw/zinc/40/63/34/447406334.db2.gz KTPKLYAMDRPTCU-KGLIPLIRSA-N 2 0 334.464 1.169 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCO[C@@H](C(C)C)C2)CC1 ZINC000663505105 453811838 /nfs/dbraw/zinc/81/18/38/453811838.db2.gz DLMJUKPSTCUSMC-IAGOWNOFSA-N 2 0 325.497 1.770 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC([C@H](C)[NH3+])CC2)ccc1C[NH+](C)C ZINC000415393701 447413870 /nfs/dbraw/zinc/41/38/70/447413870.db2.gz ZNJGFWQMDQEJPW-AWEZNQCLSA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)c1nc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)nc(N(C)C)n1 ZINC000378363503 447422392 /nfs/dbraw/zinc/42/23/92/447422392.db2.gz LSKYMICEOCMRNV-CQSZACIVSA-N 2 0 347.511 1.641 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]1 ZINC000415427392 447428136 /nfs/dbraw/zinc/42/81/36/447428136.db2.gz GBPHVEXULKSKLM-OAHLLOKOSA-N 2 0 344.459 1.084 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCO[C@@H](CC)C2)[C@H](C)C1 ZINC000494453420 447437089 /nfs/dbraw/zinc/43/70/89/447437089.db2.gz KYGXDTDNUAQACC-QYZOEREBSA-N 2 0 341.540 1.824 20 0 EDADRP C[N@H+](CCOc1cccc(Br)c1)CCN1CC[NH2+]CC1 ZINC000071150349 441141855 /nfs/dbraw/zinc/14/18/55/441141855.db2.gz DVXBCKPHRHYFPL-UHFFFAOYSA-N 2 0 342.281 1.665 20 0 EDADRP CC[NH+](CC)CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000104924385 441222790 /nfs/dbraw/zinc/22/27/90/441222790.db2.gz CGQLAEBWKMWMLH-UHFFFAOYSA-N 2 0 333.476 1.601 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000060470534 441244886 /nfs/dbraw/zinc/24/48/86/441244886.db2.gz SPLZBUDSBSSDJN-GOSISDBHSA-N 2 0 342.487 1.401 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000047978781 441245006 /nfs/dbraw/zinc/24/50/06/441245006.db2.gz OJHMUEBZUZKCAG-UHFFFAOYSA-N 2 0 331.464 1.550 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)CC[NH+](C)C ZINC000083058614 441348072 /nfs/dbraw/zinc/34/80/72/441348072.db2.gz LNQPRBSLNKLFGC-UHFFFAOYSA-N 2 0 333.480 1.772 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000062646985 441307375 /nfs/dbraw/zinc/30/73/75/441307375.db2.gz JJZRWSTYBAIEIT-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000106914050 441388804 /nfs/dbraw/zinc/38/88/04/441388804.db2.gz KOFXJIQIOJKDMG-SJORKVTESA-N 2 0 326.444 1.795 20 0 EDADRP CC(C)[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000106911981 441389357 /nfs/dbraw/zinc/38/93/57/441389357.db2.gz ZZQBFUWKRIAHKQ-MRXNPFEDSA-N 2 0 333.480 1.036 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000085425790 441439674 /nfs/dbraw/zinc/43/96/74/441439674.db2.gz PXNWKQMSGOXYAT-HZPDHXFCSA-N 2 0 340.512 1.326 20 0 EDADRP CCCO[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000108394503 441449913 /nfs/dbraw/zinc/44/99/13/441449913.db2.gz ZOIPWMLRRHPJBG-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000065639193 441475133 /nfs/dbraw/zinc/47/51/33/441475133.db2.gz ANFJIPDPTULABP-MRXNPFEDSA-N 2 0 346.475 1.533 20 0 EDADRP COC(=O)CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000113506941 441611987 /nfs/dbraw/zinc/61/19/87/441611987.db2.gz HELJWAMVMNKCFM-UHFFFAOYSA-N 2 0 325.453 1.003 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)o1 ZINC000041837784 441678340 /nfs/dbraw/zinc/67/83/40/441678340.db2.gz RNFMMGGVHXMLLT-UHFFFAOYSA-N 2 0 336.480 1.441 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136662021 441712344 /nfs/dbraw/zinc/71/23/44/441712344.db2.gz XXQKJYABANLZQD-INIZCTEOSA-N 2 0 336.480 1.728 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000158785705 441763626 /nfs/dbraw/zinc/76/36/26/441763626.db2.gz QJCIJQFIKZEAJQ-SFHVURJKSA-N 2 0 332.492 1.481 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1(OC)CC[NH2+]CC1)c1ccccc1 ZINC000159119140 441788631 /nfs/dbraw/zinc/78/86/31/441788631.db2.gz MXIMZSPCNABZRA-KRWDZBQOSA-N 2 0 333.476 1.954 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccccc1 ZINC000159118704 441789076 /nfs/dbraw/zinc/78/90/76/441789076.db2.gz VEFVOMNJBYMNBO-ZWKOTPCHSA-N 2 0 333.476 1.954 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173958724 441870751 /nfs/dbraw/zinc/87/07/51/441870751.db2.gz AWSBMPCMZZPVRG-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000116519525 441827762 /nfs/dbraw/zinc/82/77/62/441827762.db2.gz UVGSVHYLMRBEIC-WMZOPIPTSA-N 2 0 347.507 1.933 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC1CC[NH+](CCO)CC1)C(C)(C)C ZINC000116549473 441829431 /nfs/dbraw/zinc/82/94/31/441829431.db2.gz ZXXACBGJCIPFGO-MRXNPFEDSA-N 2 0 342.528 1.356 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC[NH+]1CCCCC1 ZINC000174641380 441947769 /nfs/dbraw/zinc/94/77/69/441947769.db2.gz RWVFJKALYCYVAD-UHFFFAOYSA-N 2 0 344.503 1.801 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(-n2cccn2)nc1 ZINC000119868310 441967450 /nfs/dbraw/zinc/96/74/50/441967450.db2.gz LPANRTHNNMWSQC-UHFFFAOYSA-N 2 0 345.451 1.224 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCCC2)CC1 ZINC000069608012 441988907 /nfs/dbraw/zinc/98/89/07/441988907.db2.gz LVZYIZFJFZFIRI-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000151001377 441989590 /nfs/dbraw/zinc/98/95/90/441989590.db2.gz HECOGQSMUWGGJX-WMZOPIPTSA-N 2 0 341.459 1.012 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000125391259 442018168 /nfs/dbraw/zinc/01/81/68/442018168.db2.gz PXZNMWILSCKCHY-CQSZACIVSA-N 2 0 339.505 1.977 20 0 EDADRP CCN1CCO[C@@H](C(=O)Nc2ccc3c(c2)nc(C)n3[C@H](C)CO)C1 ZINC000456721598 447445157 /nfs/dbraw/zinc/44/51/57/447445157.db2.gz QUGGGZZWRPQHJA-SJKOYZFVSA-N 2 0 346.431 1.557 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000426452100 447446084 /nfs/dbraw/zinc/44/60/84/447446084.db2.gz WULRCMVZGHFPPN-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000162315871 442083499 /nfs/dbraw/zinc/08/34/99/442083499.db2.gz BJZJGEOQZYILHC-SQNIBIBYSA-N 2 0 333.476 1.953 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[N@@H+]1C1CC1 ZINC000151822003 442125578 /nfs/dbraw/zinc/12/55/78/442125578.db2.gz YGTXZXMRRQXYJZ-CJNGLKHVSA-N 2 0 344.459 1.428 20 0 EDADRP CNC(=O)CN1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000151959599 442147029 /nfs/dbraw/zinc/14/70/29/442147029.db2.gz NYPPFOQUMIAFMB-UHFFFAOYSA-N 2 0 336.524 1.584 20 0 EDADRP COCC[NH2+]CC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000165037977 442205627 /nfs/dbraw/zinc/20/56/27/442205627.db2.gz LOCJPPCAUSNSRU-GOSISDBHSA-N 2 0 347.503 1.812 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000176023839 442162512 /nfs/dbraw/zinc/16/25/12/442162512.db2.gz AOJRENWNFDJHPO-TVFCKZIOSA-N 2 0 339.524 1.874 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000171196010 442325513 /nfs/dbraw/zinc/32/55/13/442325513.db2.gz LWVFUBUZXATWPO-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP CN1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000177351171 442331231 /nfs/dbraw/zinc/33/12/31/442331231.db2.gz QSYQKMLOJPHBJP-UHFFFAOYSA-N 2 0 344.503 1.696 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000154034707 442317704 /nfs/dbraw/zinc/31/77/04/442317704.db2.gz YDCIOJPTJSAESL-INIZCTEOSA-N 2 0 348.495 1.674 20 0 EDADRP COC(=O)[C@@H]1CCCN(CCCCn2ccnc2C)[C@H]1C(=O)OC ZINC000131125460 442364883 /nfs/dbraw/zinc/36/48/83/442364883.db2.gz FRMBKZDGRTXVBA-HUUCEWRRSA-N 2 0 337.420 1.398 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]1c1ccccc1 ZINC000154979152 442368136 /nfs/dbraw/zinc/36/81/36/442368136.db2.gz UTGBHYXJGLYFCW-ROUUACIJSA-N 2 0 332.492 1.925 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155015919 442371086 /nfs/dbraw/zinc/37/10/86/442371086.db2.gz HMALNZFTQXDEMM-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC[NH+](C)C)[NH+](C)C)cc1OC ZINC000133334847 442413168 /nfs/dbraw/zinc/41/31/68/442413168.db2.gz KARGLWPEFBXPNN-CQSZACIVSA-N 2 0 338.452 1.167 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCn2ccnc2C1)Cc1ccccc1 ZINC000155781944 442426876 /nfs/dbraw/zinc/42/68/76/442426876.db2.gz JWDWBRXDPIGFGU-DLBZAZTESA-N 2 0 326.444 1.735 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000134199966 442457821 /nfs/dbraw/zinc/45/78/21/442457821.db2.gz PAZJPEXDJZPGTJ-QGZVFWFLSA-N 2 0 330.476 1.409 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000178849559 442502027 /nfs/dbraw/zinc/50/20/27/442502027.db2.gz IYWPLVNNOTVJCO-SFHVURJKSA-N 2 0 333.476 1.562 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000178966261 442539780 /nfs/dbraw/zinc/53/97/80/442539780.db2.gz USTHVKZPQTUONL-KRWDZBQOSA-N 2 0 330.476 1.116 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000172810858 442546804 /nfs/dbraw/zinc/54/68/04/442546804.db2.gz ZMKYMLOKDFLYOX-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP CC(C)[NH+]1CCC(NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000180463043 442605564 /nfs/dbraw/zinc/60/55/64/442605564.db2.gz PQSSZYRNTUVWHG-UHFFFAOYSA-N 2 0 346.519 1.940 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000186976959 442638519 /nfs/dbraw/zinc/63/85/19/442638519.db2.gz MFVQOHVPDVLBTF-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000157922841 442628229 /nfs/dbraw/zinc/62/82/29/442628229.db2.gz ZAETUIPBPYEYFO-CZUORRHYSA-N 2 0 336.505 1.804 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCOC[C@H]2C)CC1 ZINC000192773749 442685063 /nfs/dbraw/zinc/68/50/63/442685063.db2.gz ULPGTBOCNKCUMJ-GOSISDBHSA-N 2 0 341.540 1.778 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000187929936 442698053 /nfs/dbraw/zinc/69/80/53/442698053.db2.gz ZNXDLCSZCURTRX-OKZBNKHCSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(C)(C)C ZINC000187184289 442659221 /nfs/dbraw/zinc/65/92/21/442659221.db2.gz KKQDTHBTPKQIOT-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[N@H+](C)Cc2ccccc2)C1(C)C ZINC000188119079 442713182 /nfs/dbraw/zinc/71/31/82/442713182.db2.gz BPZKCBPIUOIIOG-QFBILLFUSA-N 2 0 333.476 1.767 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246489949 442785787 /nfs/dbraw/zinc/78/57/87/442785787.db2.gz WEGFOGGNHONMBM-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)C2)CC1 ZINC000188747018 442802528 /nfs/dbraw/zinc/80/25/28/442802528.db2.gz PERSWGNIHDIAQK-HNNXBMFYSA-N 2 0 345.491 1.640 20 0 EDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CC1(C[NH+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000182360437 442759933 /nfs/dbraw/zinc/75/99/33/442759933.db2.gz UGAHRGXXXFJYSQ-USTZCAOPSA-N 2 0 340.508 1.474 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)Oc1cccnc1 ZINC000265530144 442811336 /nfs/dbraw/zinc/81/13/36/442811336.db2.gz FMMLXXAQPSBMIA-IRXDYDNUSA-N 2 0 348.491 1.723 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+]4CCC3CC4)cc2)CC1 ZINC000188846847 442827137 /nfs/dbraw/zinc/82/71/37/442827137.db2.gz HWWRAPBYZDCNIN-UHFFFAOYSA-N 2 0 342.487 1.749 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@@H]21 ZINC000247961302 442874976 /nfs/dbraw/zinc/87/49/76/442874976.db2.gz GGFYLQHTTOFBOP-OAGGEKHMSA-N 2 0 329.510 1.074 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194434140 442896228 /nfs/dbraw/zinc/89/62/28/442896228.db2.gz URYLBHQRUOHFGC-HKUYNNGSSA-N 2 0 348.491 1.120 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3CCCO3)CC2)CC1 ZINC000189208316 442897295 /nfs/dbraw/zinc/89/72/95/442897295.db2.gz YUGUZHRMMOLREC-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000249207556 442960129 /nfs/dbraw/zinc/96/01/29/442960129.db2.gz BWIDXPNZKRFLRZ-QRVBRYPASA-N 2 0 339.524 1.671 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000194939174 442970477 /nfs/dbraw/zinc/97/04/77/442970477.db2.gz JVFLIQRELSGXLB-DOMZBBRYSA-N 2 0 329.366 1.904 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000189654570 442990164 /nfs/dbraw/zinc/99/01/64/442990164.db2.gz ZBVWFNSDBXYQJQ-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000268656574 443066135 /nfs/dbraw/zinc/06/61/35/443066135.db2.gz LBQWCEXHFMDFPT-GOSISDBHSA-N 2 0 331.460 1.924 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000236660725 443143015 /nfs/dbraw/zinc/14/30/15/443143015.db2.gz VUWNAIAYUCPGGW-MSOLQXFVSA-N 2 0 331.460 1.564 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000261796878 443169957 /nfs/dbraw/zinc/16/99/57/443169957.db2.gz GVFCMAWTDRKDRB-HNNXBMFYSA-N 2 0 345.834 1.496 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@@H](C)O1 ZINC000237402655 443170811 /nfs/dbraw/zinc/17/08/11/443170811.db2.gz VIVOVZUASQCFHP-MDZRGWNJSA-N 2 0 345.487 1.879 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000237525315 443175166 /nfs/dbraw/zinc/17/51/66/443175166.db2.gz UMQQPUHMNSKRAP-YJBOKZPZSA-N 2 0 330.476 1.386 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237937660 443189391 /nfs/dbraw/zinc/18/93/91/443189391.db2.gz JYUNNFHYTCPZGK-ZWKOTPCHSA-N 2 0 331.460 1.536 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000263231175 443227913 /nfs/dbraw/zinc/22/79/13/443227913.db2.gz IFSADYCAIYCADK-ZOBUZTSGSA-N 2 0 340.512 1.103 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000245591554 443238798 /nfs/dbraw/zinc/23/87/98/443238798.db2.gz BCFBVPRGXQDMMW-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000245612122 443240231 /nfs/dbraw/zinc/24/02/31/443240231.db2.gz WADMXBFEXVJLLU-IRXDYDNUSA-N 2 0 343.537 1.653 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000262660737 443206450 /nfs/dbraw/zinc/20/64/50/443206450.db2.gz XQMNZRJQCWRYCA-GVDBMIGSSA-N 2 0 325.497 1.485 20 0 EDADRP C[N@@H+]1CC[C@H](c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)C1 ZINC000350115736 319041978 /nfs/dbraw/zinc/04/19/78/319041978.db2.gz JBPYHKCBHNCCEZ-ZDUSSCGKSA-N 2 0 328.420 1.303 20 0 EDADRP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000269245134 443248743 /nfs/dbraw/zinc/24/87/43/443248743.db2.gz ZKGAUUMTTLTQNA-MAUKXSAKSA-N 2 0 330.476 1.243 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000382724563 319124507 /nfs/dbraw/zinc/12/45/07/319124507.db2.gz QQLMTNLCBUBQML-FUHWJXTLSA-N 2 0 331.460 1.488 20 0 EDADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000397524888 319135575 /nfs/dbraw/zinc/13/55/75/319135575.db2.gz WCUHEORQJBZVDH-UHFFFAOYSA-N 2 0 328.460 1.845 20 0 EDADRP CC(C)[C@H](CO)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411785673 319203609 /nfs/dbraw/zinc/20/36/09/319203609.db2.gz JBFKDAJSTQDZEQ-HKUYNNGSSA-N 2 0 341.540 1.854 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC)C1)[NH+]1CCOCC1 ZINC000413077728 319262644 /nfs/dbraw/zinc/26/26/44/319262644.db2.gz BRLSTOQKKILLJA-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414193387 319319159 /nfs/dbraw/zinc/31/91/59/319319159.db2.gz MRSQNYSIIIAROP-KZNAEPCWSA-N 3 0 338.540 1.101 20 0 EDADRP C[N@@H+](Cc1ccc(Br)o1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669593 319338907 /nfs/dbraw/zinc/33/89/07/319338907.db2.gz BTNFPFKODHNROE-LLVKDONJSA-N 2 0 344.253 1.671 20 0 EDADRP Cc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1C ZINC000414677661 319340105 /nfs/dbraw/zinc/34/01/05/319340105.db2.gz WYCKDCYQRRAUCA-SFHVURJKSA-N 2 0 344.503 1.623 20 0 EDADRP Cc1ccccc1N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414682443 319341862 /nfs/dbraw/zinc/34/18/62/319341862.db2.gz RGDKKVHKLQCGOT-KRWDZBQOSA-N 2 0 330.476 1.314 20 0 EDADRP COc1ccc(OCC[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414685455 319342266 /nfs/dbraw/zinc/34/22/66/319342266.db2.gz ZGKYRWXRSFNRQE-HNNXBMFYSA-N 2 0 335.448 1.203 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)cc1 ZINC000415087305 319346269 /nfs/dbraw/zinc/34/62/69/319346269.db2.gz SSCRAVNJVIFISJ-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000185871637 443272555 /nfs/dbraw/zinc/27/25/55/443272555.db2.gz FQYPZOIEEPZRLM-QGZVFWFLSA-N 2 0 327.476 1.988 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416833579 319465291 /nfs/dbraw/zinc/46/52/91/319465291.db2.gz CMWXCFOBQICRCD-GOSISDBHSA-N 2 0 347.507 1.087 20 0 EDADRP CCCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000416944851 319481607 /nfs/dbraw/zinc/48/16/07/319481607.db2.gz NAMDIPPMPCMRBW-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(F)F ZINC000417336735 319493355 /nfs/dbraw/zinc/49/33/55/319493355.db2.gz WDXWWNITBOLPQP-AWEZNQCLSA-N 2 0 332.439 1.923 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000417362448 319494308 /nfs/dbraw/zinc/49/43/08/319494308.db2.gz LGABWOCSUZZEGG-HNNXBMFYSA-N 2 0 334.464 1.426 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418828267 319519930 /nfs/dbraw/zinc/51/99/30/319519930.db2.gz WACUUUOFFRSBKA-IRXDYDNUSA-N 2 0 346.475 1.054 20 0 EDADRP [NH3+]C1CCC(NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000418931648 319535536 /nfs/dbraw/zinc/53/55/36/319535536.db2.gz DVJYPGFGRDMRNF-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387372 319614916 /nfs/dbraw/zinc/61/49/16/319614916.db2.gz VTQGFXJWANPVQE-JQFCIGGWSA-N 2 0 325.497 1.898 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[N@@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732147 443396115 /nfs/dbraw/zinc/39/61/15/443396115.db2.gz NFXBZMWMTQFINI-ZWKOTPCHSA-N 2 0 347.507 1.143 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000267266114 443399209 /nfs/dbraw/zinc/39/92/09/443399209.db2.gz DMGGKGMKRXIPOJ-UHFFFAOYSA-N 2 0 340.443 1.135 20 0 EDADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000282696148 443410632 /nfs/dbraw/zinc/41/06/32/443410632.db2.gz PRAMITPMVMIENJ-UHFFFAOYSA-N 2 0 329.448 1.430 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCSCC1 ZINC000264929783 443480851 /nfs/dbraw/zinc/48/08/51/443480851.db2.gz XCBINVLZOOFOOA-UHFFFAOYSA-N 2 0 348.516 1.853 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946515 319739973 /nfs/dbraw/zinc/73/99/73/319739973.db2.gz OZPSBVUSWWIWGN-DZGCQCFKSA-N 2 0 343.493 1.341 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCNC(=O)C(C)C)CC[NH2+]CC1 ZINC000423016765 319746346 /nfs/dbraw/zinc/74/63/46/319746346.db2.gz UNHUNGIQOCEHGU-CQSZACIVSA-N 2 0 327.469 1.060 20 0 EDADRP COCCOc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1OC ZINC000423201108 319756461 /nfs/dbraw/zinc/75/64/61/319756461.db2.gz HKJIBUCFRDJZPN-HNNXBMFYSA-N 2 0 337.464 1.276 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2cn(CCCC[NH3+])nn2)[NH+](C)C)cc1 ZINC000423340270 319765143 /nfs/dbraw/zinc/76/51/43/319765143.db2.gz JFXMSCBBBOEVDX-QGZVFWFLSA-N 2 0 344.463 1.358 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC000265054142 443519500 /nfs/dbraw/zinc/51/95/00/443519500.db2.gz UKTCIDBDISINAY-UHFFFAOYSA-N 2 0 328.420 1.233 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000273098556 443538442 /nfs/dbraw/zinc/53/84/42/443538442.db2.gz PHCBCUOKPBKYND-MJGOQNOKSA-N 2 0 345.487 1.736 20 0 EDADRP O=C(CC[C@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267554616 443495562 /nfs/dbraw/zinc/49/55/62/443495562.db2.gz DYOWQUQFNSRGGC-KRWDZBQOSA-N 2 0 346.475 1.527 20 0 EDADRP C[NH+]1CCC(CC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000273160635 443553957 /nfs/dbraw/zinc/55/39/57/443553957.db2.gz BXLOLLMRXJQAKG-UHFFFAOYSA-N 2 0 345.491 1.182 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000275721211 443639729 /nfs/dbraw/zinc/63/97/29/443639729.db2.gz WBTFPLMBRKAECG-UHFFFAOYSA-N 2 0 348.491 1.711 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000265365341 443617342 /nfs/dbraw/zinc/61/73/42/443617342.db2.gz NANWTVQZAAQEEE-SFHVURJKSA-N 2 0 333.476 1.931 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279928058 443643925 /nfs/dbraw/zinc/64/39/25/443643925.db2.gz QRZOAGMJILVMID-RBUKOAKNSA-N 2 0 343.471 1.149 20 0 EDADRP COc1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1NC(C)=O ZINC000433142979 319971572 /nfs/dbraw/zinc/97/15/72/319971572.db2.gz WVXNKEZCSPLGLW-UHFFFAOYSA-N 2 0 348.447 1.795 20 0 EDADRP COC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1C ZINC000433155105 319972684 /nfs/dbraw/zinc/97/26/84/319972684.db2.gz WMMLHVVPMDXJSO-UHFFFAOYSA-N 2 0 333.432 1.923 20 0 EDADRP CS[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH+]1CCCC1 ZINC000286167063 443660300 /nfs/dbraw/zinc/66/03/00/443660300.db2.gz TVOCPSMUYYKBBP-CVEARBPZSA-N 2 0 330.457 1.986 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439693466 320048150 /nfs/dbraw/zinc/04/81/50/320048150.db2.gz SPVPPVCECUSILF-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000444269463 320123606 /nfs/dbraw/zinc/12/36/06/320123606.db2.gz LAPDSXIRZLSSNA-HZPDHXFCSA-N 2 0 330.432 1.153 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCN(CCCO)C1 ZINC000449394207 320187763 /nfs/dbraw/zinc/18/77/63/320187763.db2.gz FKJXHHNXSYSEDY-KRWDZBQOSA-N 2 0 329.448 1.512 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000449710412 320201042 /nfs/dbraw/zinc/20/10/42/320201042.db2.gz MNMQWSLNFQIGLF-QGZVFWFLSA-N 2 0 349.500 1.344 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2CCO)[C@H](C)C1 ZINC000453275196 320262095 /nfs/dbraw/zinc/26/20/95/320262095.db2.gz WQIYUICJMODPRR-QYZOEREBSA-N 2 0 341.540 1.560 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)CN1CC[NH+](C)CC1 ZINC000286237368 443674070 /nfs/dbraw/zinc/67/40/70/443674070.db2.gz TVCKFKXSGCCLCE-HUUCEWRRSA-N 2 0 346.475 1.552 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CCCCC1 ZINC000457445024 320326061 /nfs/dbraw/zinc/32/60/61/320326061.db2.gz WVBXWQTZMKBRKW-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457706180 320332576 /nfs/dbraw/zinc/33/25/76/320332576.db2.gz HRVMVGLTVZNJKZ-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000457734128 320334040 /nfs/dbraw/zinc/33/40/40/320334040.db2.gz FSIPDENYDYRBBL-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCOCC[NH+](C)C ZINC000471647475 320352956 /nfs/dbraw/zinc/35/29/56/320352956.db2.gz HDIQPNNPVONDQR-OWCLPIDISA-N 2 0 328.501 1.230 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000475045040 320353638 /nfs/dbraw/zinc/35/36/38/320353638.db2.gz IKUQQVJYQDGUMI-MLHJIOFPSA-N 2 0 335.471 1.549 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](CC(C)C)C[NH+](C)C)CC1 ZINC000516188001 320434219 /nfs/dbraw/zinc/43/42/19/320434219.db2.gz QFAAVVRWDDKGBG-MRXNPFEDSA-N 2 0 328.501 1.373 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000283807582 443727401 /nfs/dbraw/zinc/72/74/01/443727401.db2.gz ATDVICIUXPWWMG-CQSZACIVSA-N 2 0 328.416 1.660 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1cccc2[nH]ccc21 ZINC000520568909 320479472 /nfs/dbraw/zinc/47/94/72/320479472.db2.gz LKKFLADRAVSONB-HOTGVXAUSA-N 2 0 346.475 1.133 20 0 EDADRP Cc1nccn1CCCCNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000288195186 443800621 /nfs/dbraw/zinc/80/06/21/443800621.db2.gz QKRKTTAEDVFIBL-UHFFFAOYSA-N 2 0 349.479 1.031 20 0 EDADRP Cn1cncc1CCC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000276637710 443773528 /nfs/dbraw/zinc/77/35/28/443773528.db2.gz UNMUZNWAQCKHQK-SFHVURJKSA-N 2 0 342.443 1.236 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000298607498 443814650 /nfs/dbraw/zinc/81/46/50/443814650.db2.gz HUFOFYCVJYDRCZ-HNNXBMFYSA-N 2 0 347.463 1.058 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2)N1CC[NH+](C)CC1 ZINC000531959695 320669699 /nfs/dbraw/zinc/66/96/99/320669699.db2.gz DNRLUJHKMJPLRI-CABCVRRESA-N 2 0 330.476 1.858 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(N)=O ZINC000298887215 443892679 /nfs/dbraw/zinc/89/26/79/443892679.db2.gz SJCXKNXBAVQTOP-KGLIPLIRSA-N 2 0 332.448 1.734 20 0 EDADRP Cc1ccc(CNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000288797728 443986100 /nfs/dbraw/zinc/98/61/00/443986100.db2.gz CVBCZRMKIYAHEQ-UHFFFAOYSA-N 2 0 334.508 1.427 20 0 EDADRP CC(=O)c1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)c1 ZINC000299429869 444043851 /nfs/dbraw/zinc/04/38/51/444043851.db2.gz LIMXJYDDDOPNON-UHFFFAOYSA-N 2 0 336.480 1.573 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)[C@@H](c2ccccc2)C1 ZINC000299530241 444071619 /nfs/dbraw/zinc/07/16/19/444071619.db2.gz NANRVJOVZJEOHP-RBUKOAKNSA-N 2 0 344.503 1.576 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557354330 321002845 /nfs/dbraw/zinc/00/28/45/321002845.db2.gz GLILAWXBIVTKSF-ZDUSSCGKSA-N 2 0 329.404 1.263 20 0 EDADRP C[NH+]1CCC(CCNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000562514851 321060460 /nfs/dbraw/zinc/06/04/60/321060460.db2.gz RKDXHBYVBLWPRB-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP Cc1ccncc1N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000562812581 321077728 /nfs/dbraw/zinc/07/77/28/321077728.db2.gz KJGQYYXRSGOBFI-UHFFFAOYSA-N 2 0 331.464 1.883 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000562819884 321079161 /nfs/dbraw/zinc/07/91/61/321079161.db2.gz ZQGNVZYOKUZPKJ-AHEZYBDSSA-N 2 0 348.466 1.898 20 0 EDADRP CCN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1c1ncc[nH]1 ZINC000562819576 321079252 /nfs/dbraw/zinc/07/92/52/321079252.db2.gz PTSNFBSIVDFNHX-RBSFLKMASA-N 2 0 334.468 1.315 20 0 EDADRP Nc1nc(Cl)cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000299579973 444085223 /nfs/dbraw/zinc/08/52/23/444085223.db2.gz QYJUBVWGOCJKGM-UHFFFAOYSA-N 2 0 347.854 1.731 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000563094369 321095116 /nfs/dbraw/zinc/09/51/16/321095116.db2.gz IMDPVMGBBNYRJX-DEFDSWJHSA-N 2 0 347.503 1.665 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000564189223 321123468 /nfs/dbraw/zinc/12/34/68/321123468.db2.gz XGEGKYQHMSATMB-ROUUACIJSA-N 2 0 347.507 1.258 20 0 EDADRP CCCNC(=O)CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000564580602 321136188 /nfs/dbraw/zinc/13/61/88/321136188.db2.gz LONXHWJISWZEOJ-JWTNVVGKSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779337 321147462 /nfs/dbraw/zinc/14/74/62/321147462.db2.gz QFPCKAXGBSMCBT-LLVKDONJSA-N 2 0 328.254 1.951 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000564890347 321155325 /nfs/dbraw/zinc/15/53/25/321155325.db2.gz VRXBSVGSROCDGE-OFLPRAFFSA-N 2 0 337.439 1.831 20 0 EDADRP O=C(CC(F)(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299592686 444089451 /nfs/dbraw/zinc/08/94/51/444089451.db2.gz TZYIYQYRGVZNCH-UHFFFAOYSA-N 2 0 330.354 1.662 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)c1ccsc1 ZINC000565772017 321200739 /nfs/dbraw/zinc/20/07/39/321200739.db2.gz JYIIBYRTRVKXOX-AWEZNQCLSA-N 2 0 336.465 1.111 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)c1 ZINC000566057820 321212891 /nfs/dbraw/zinc/21/28/91/321212891.db2.gz XWVRDAXLVZACNY-QAPCUYQASA-N 2 0 346.475 1.835 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000566116868 321217332 /nfs/dbraw/zinc/21/73/32/321217332.db2.gz LGCDFOYSDUOWAH-SFHVURJKSA-N 2 0 341.540 1.702 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[NH+]2CCC(C)(C)C2)C[C@H](C)O1 ZINC000566442241 321231346 /nfs/dbraw/zinc/23/13/46/321231346.db2.gz CWVYFRHWSSRUKC-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP CN1C(=O)CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1=O ZINC000567662852 321251900 /nfs/dbraw/zinc/25/19/00/321251900.db2.gz WWLDYNYWMHYCHI-MHORFTMASA-N 2 0 341.455 1.919 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCCC1 ZINC000567870630 321263322 /nfs/dbraw/zinc/26/33/22/321263322.db2.gz WXFWMAXNLXPHHS-XIRDDKMYSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000567982905 321271295 /nfs/dbraw/zinc/27/12/95/321271295.db2.gz ZIGRGNWNJTUPOF-BHYGNILZSA-N 2 0 333.476 1.766 20 0 EDADRP C[C@@H]1CN(C(=O)N2CC[NH+](CC3CCOCC3)CC2)C[C@@]1(C)C[NH3+] ZINC000568848695 321308385 /nfs/dbraw/zinc/30/83/85/321308385.db2.gz ABFSKBWIVWKACG-CRAIPNDOSA-N 2 0 338.496 1.067 20 0 EDADRP CC[NH+](CC)CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299634635 444101436 /nfs/dbraw/zinc/10/14/36/444101436.db2.gz CUEJYALBJZSGIV-UHFFFAOYSA-N 2 0 332.492 1.889 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000570029691 321334786 /nfs/dbraw/zinc/33/47/86/321334786.db2.gz KWOPQNWZJLPTHQ-AEFFLSMTSA-N 2 0 339.443 1.424 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570573640 321349253 /nfs/dbraw/zinc/34/92/53/321349253.db2.gz XKLNDNJLSWEVHG-GOEBONIOSA-N 2 0 346.475 1.711 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000570813169 321359547 /nfs/dbraw/zinc/35/95/47/321359547.db2.gz GMVQLSQCLWVHHS-SJLPKXTDSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000570949570 321366127 /nfs/dbraw/zinc/36/61/27/321366127.db2.gz LKRUEEURBGXRJX-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000570955792 321366661 /nfs/dbraw/zinc/36/66/61/321366661.db2.gz HVMKHPPGMASBFA-HOTGVXAUSA-N 2 0 346.537 1.274 20 0 EDADRP CN(C)c1ncc(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)n1C ZINC000571627450 321394166 /nfs/dbraw/zinc/39/41/66/321394166.db2.gz GYCMBXWJELSPCC-AWEZNQCLSA-N 2 0 336.484 1.406 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000572286703 321424907 /nfs/dbraw/zinc/42/49/07/321424907.db2.gz WJAKGPCAZYDQHO-UHFFFAOYSA-N 3 0 330.480 1.501 20 0 EDADRP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000574200067 321475635 /nfs/dbraw/zinc/47/56/35/321475635.db2.gz IYCWJLADHOZQSD-SFHVURJKSA-N 2 0 331.460 1.387 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000301630799 444182763 /nfs/dbraw/zinc/18/27/63/444182763.db2.gz IWXZFOKTGGXHJF-UHFFFAOYSA-N 2 0 341.444 1.628 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)CCC3CC[NH2+]CC3)C2)CC1 ZINC000576870976 321603293 /nfs/dbraw/zinc/60/32/93/321603293.db2.gz GWGQZYQWYRKPIG-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cn2ccnc12 ZINC000297017337 444268175 /nfs/dbraw/zinc/26/81/75/444268175.db2.gz QDCSJHAPTPGYNH-CQSZACIVSA-N 2 0 345.447 1.952 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000296508777 444234337 /nfs/dbraw/zinc/23/43/37/444234337.db2.gz RLDFQEJUWDALTL-KRWDZBQOSA-N 2 0 344.503 1.451 20 0 EDADRP CC[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO)C1CC1 ZINC000305680444 444272537 /nfs/dbraw/zinc/27/25/37/444272537.db2.gz MQGANNYXORTSPT-IEBWSBKVSA-N 2 0 345.487 1.470 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000290116026 444244333 /nfs/dbraw/zinc/24/43/33/444244333.db2.gz KUJODKIMLKEEDC-LJQANCHMSA-N 2 0 347.503 1.811 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297695727 444319588 /nfs/dbraw/zinc/31/95/88/444319588.db2.gz QBOYZBBFJAPIGZ-UHFFFAOYSA-N 3 0 332.492 1.875 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cn1cccn1 ZINC000310816967 444292755 /nfs/dbraw/zinc/29/27/55/444292755.db2.gz JEQNRQAXAJGVHC-MTQWCTHYSA-N 2 0 340.471 1.744 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000290609094 444301019 /nfs/dbraw/zinc/30/10/19/444301019.db2.gz PMGVNFWMRJDKMM-IPMKNSEASA-N 2 0 327.472 1.967 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000324696338 444357162 /nfs/dbraw/zinc/35/71/62/444357162.db2.gz WAXHGYRIQAZVKI-QZTJIDSGSA-N 2 0 332.492 1.465 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])C2CCC2)CC1 ZINC000581009394 322123986 /nfs/dbraw/zinc/12/39/86/322123986.db2.gz WGXQVYOMBNIVSL-LJQANCHMSA-N 2 0 344.503 1.568 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000581431402 322176956 /nfs/dbraw/zinc/17/69/56/322176956.db2.gz IUBMVBRBYNLZEY-KRWDZBQOSA-N 2 0 333.480 1.754 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000332232964 444506062 /nfs/dbraw/zinc/50/60/62/444506062.db2.gz PSIFCUMXGLRASV-CVEARBPZSA-N 2 0 331.526 1.686 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338209034 444564169 /nfs/dbraw/zinc/56/41/69/444564169.db2.gz UJOFWWIMZLOAHF-XLIONFOSSA-N 2 0 339.487 1.986 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[N@@H+]1C ZINC000343764724 444574379 /nfs/dbraw/zinc/57/43/79/444574379.db2.gz WDOGSLCFQGWQDR-HOTGVXAUSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC1=O ZINC000343722024 444545318 /nfs/dbraw/zinc/54/53/18/444545318.db2.gz LHIBYCLFMHVWCH-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341008667 444628310 /nfs/dbraw/zinc/62/83/10/444628310.db2.gz DYJOCPLOTUUGNC-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CNc1cc(N2CCC[C@H]2CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)ncn1 ZINC000332924364 444597984 /nfs/dbraw/zinc/59/79/84/444597984.db2.gz WGAJSLHRDQCNFF-ZNMIVQPWSA-N 2 0 346.479 1.476 20 0 EDADRP C[C@H](C[NH+](C)C)Nc1cc(N[C@@H](C)C[NH+](C)C)nc2cnccc21 ZINC000343803434 444601523 /nfs/dbraw/zinc/60/15/23/444601523.db2.gz IBRAPZYKJKBCLK-KGLIPLIRSA-N 2 0 330.480 2.354 20 0 EDADRP C([NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333561424 444680519 /nfs/dbraw/zinc/68/05/19/444680519.db2.gz KZXIYRIETPDTGF-FVQBIDKESA-N 2 0 331.464 1.709 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccnc2s1 ZINC000343968032 444700616 /nfs/dbraw/zinc/70/06/16/444700616.db2.gz AZUMWVUQYYOLBW-AWEZNQCLSA-N 2 0 349.504 1.884 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000343992004 444714335 /nfs/dbraw/zinc/71/43/35/444714335.db2.gz MZCWRLOYAHRKRO-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000329781428 444714993 /nfs/dbraw/zinc/71/49/93/444714993.db2.gz NGRGZEOEWWVSPX-PMPSAXMXSA-N 2 0 336.480 1.566 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000341185949 444716424 /nfs/dbraw/zinc/71/64/24/444716424.db2.gz BYFHZENWWRSRRB-HZPDHXFCSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333794432 444698008 /nfs/dbraw/zinc/69/80/08/444698008.db2.gz GTBWWGNUYGJNHX-HNNXBMFYSA-N 2 0 338.496 1.543 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342567973 444747595 /nfs/dbraw/zinc/74/75/95/444747595.db2.gz LTXHSZMQFDTFBN-OIISXLGYSA-N 2 0 337.533 1.899 20 0 EDADRP Cc1cnc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1C ZINC000341254853 444750257 /nfs/dbraw/zinc/75/02/57/444750257.db2.gz CZVSSOZZUNOTJX-UHFFFAOYSA-N 2 0 335.496 1.445 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[NH+](C)C[C@H]3C)CC2)cc1 ZINC000341281228 444760618 /nfs/dbraw/zinc/76/06/18/444760618.db2.gz CQFOIOTWDRKOHK-VQIMIIECSA-N 2 0 345.487 1.927 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](CC)C(C)C)C[C@@H]1CC ZINC000342651311 444797307 /nfs/dbraw/zinc/79/73/07/444797307.db2.gz NLZUOJLXCWANOP-KRWDZBQOSA-N 2 0 342.528 1.859 20 0 EDADRP C[NH+]1CCC(Nc2cc(C3CC3)nc(NC3CC[NH+](C)CC3)n2)CC1 ZINC000341397320 444809869 /nfs/dbraw/zinc/80/98/69/444809869.db2.gz ZMLXKLUGAZEVMT-UHFFFAOYSA-N 2 0 344.507 1.210 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)c2c(C)nn(C)c2-n2ccnc2C)CC1 ZINC000330023631 444814437 /nfs/dbraw/zinc/81/44/37/444814437.db2.gz IZFNVHOJYZLOKY-UHFFFAOYSA-N 2 0 330.436 1.390 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000336874482 444819230 /nfs/dbraw/zinc/81/92/30/444819230.db2.gz WTHRAYRJTQLZCJ-GOSISDBHSA-N 2 0 327.513 1.263 20 0 EDADRP Cc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000338791403 444853415 /nfs/dbraw/zinc/85/34/15/444853415.db2.gz FHPVTZUJKVSKRA-NMWPEEMBSA-N 2 0 347.511 1.238 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000337064887 444925377 /nfs/dbraw/zinc/92/53/77/444925377.db2.gz ZKDJOVSFUPETGM-IXDOHACOSA-N 2 0 338.496 1.223 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)Nc1ccnc(C)c1 ZINC000344409781 444947985 /nfs/dbraw/zinc/94/79/85/444947985.db2.gz AMQNHAWIZYBWRH-UHFFFAOYSA-N 2 0 333.480 1.693 20 0 EDADRP CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+]1CCCCC1 ZINC000342949190 444959427 /nfs/dbraw/zinc/95/94/27/444959427.db2.gz BWAUONCEXMJLLS-ZWKOTPCHSA-N 2 0 339.524 1.850 20 0 EDADRP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+]1CCCCC1 ZINC000342949184 444959684 /nfs/dbraw/zinc/95/96/84/444959684.db2.gz BWAUONCEXMJLLS-MSOLQXFVSA-N 2 0 339.524 1.850 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)Cc1ccccc1 ZINC000343038018 445021877 /nfs/dbraw/zinc/02/18/77/445021877.db2.gz AYMBDRFTLAHWJQ-IRXDYDNUSA-N 2 0 335.517 1.713 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000341750234 444984861 /nfs/dbraw/zinc/98/48/61/444984861.db2.gz WGLMAZRTJDLDIL-PKOBYXMFSA-N 2 0 344.503 1.513 20 0 EDADRP CC[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000344483426 445002189 /nfs/dbraw/zinc/00/21/89/445002189.db2.gz PLFNGGPKZSXMPX-SFHVURJKSA-N 2 0 345.487 1.695 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339067508 445016919 /nfs/dbraw/zinc/01/69/19/445016919.db2.gz LBNLHMWBQCTWLM-LSDHHAIUSA-N 2 0 334.464 1.458 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)CC(C)C ZINC000341897095 445059028 /nfs/dbraw/zinc/05/90/28/445059028.db2.gz KARGWOQRDOGHHA-DLBZAZTESA-N 2 0 327.513 1.827 20 0 EDADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000344738891 445138355 /nfs/dbraw/zinc/13/83/55/445138355.db2.gz IHLCLAZCCMFRPT-APWZRJJASA-N 2 0 349.519 1.963 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH+](C)C ZINC000344757018 445140031 /nfs/dbraw/zinc/14/00/31/445140031.db2.gz IHCBRTCCHYYMRK-ARFHVFGLSA-N 2 0 341.521 1.134 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435152 445140213 /nfs/dbraw/zinc/14/02/13/445140213.db2.gz XMRUKMGEDDIZAR-IBGZPJMESA-N 2 0 334.508 1.147 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343400941 445216083 /nfs/dbraw/zinc/21/60/83/445216083.db2.gz KXOWNLCANFCAGA-GUDVDZBRSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000345765214 445198617 /nfs/dbraw/zinc/19/86/17/445198617.db2.gz YYZXYJTVFSYYJG-ZOBUZTSGSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2ccnn2C)ccn1 ZINC000345924825 445202267 /nfs/dbraw/zinc/20/22/67/445202267.db2.gz RWWWTQHTNLCLFE-YOEHRIQHSA-N 2 0 342.447 1.750 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)C1 ZINC000351770948 445315318 /nfs/dbraw/zinc/31/53/18/445315318.db2.gz RHQPQLKQSHLWDF-QGZVFWFLSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000348206442 445315646 /nfs/dbraw/zinc/31/56/46/445315646.db2.gz OZMHMUALYCPVGS-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000351719706 445290778 /nfs/dbraw/zinc/29/07/78/445290778.db2.gz SEKMWGYZDGMGAR-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCC3CCC(C[NH3+])CC3)ccn2)CC1 ZINC000343672136 445295048 /nfs/dbraw/zinc/29/50/48/445295048.db2.gz PTWOQALLNFSCMG-UHFFFAOYSA-N 2 0 345.491 1.328 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000348589185 445333968 /nfs/dbraw/zinc/33/39/68/445333968.db2.gz QVFOISFFLUVKCP-QRVBRYPASA-N 2 0 345.487 1.829 20 0 EDADRP C[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@H]1O ZINC000351824470 445334315 /nfs/dbraw/zinc/33/43/15/445334315.db2.gz RCIDEWSSCKCOSD-WMLDXEAASA-N 2 0 349.500 1.487 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)C1 ZINC000351879038 445351512 /nfs/dbraw/zinc/35/15/12/445351512.db2.gz IPQJKVKSCGQZQN-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1ccc(CNC(=O)C2CC[NH+](CCOCC[NH3+])CC2)cc1F ZINC000357083411 445416177 /nfs/dbraw/zinc/41/61/77/445416177.db2.gz YSFZJHCXAMOYCN-UHFFFAOYSA-N 2 0 337.439 1.438 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523477 445423648 /nfs/dbraw/zinc/42/36/48/445423648.db2.gz FCHRIAOUWHACAN-LPHOPBHVSA-N 2 0 344.503 1.248 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000359779078 445424299 /nfs/dbraw/zinc/42/42/99/445424299.db2.gz UBSUCVXZZDULGW-VQIMIIECSA-N 2 0 344.503 1.851 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)[C@H]2C)C1 ZINC000355781472 445477942 /nfs/dbraw/zinc/47/79/42/445477942.db2.gz CTQMTBHUBLAKQN-BRSBDYLESA-N 2 0 339.524 1.826 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000357207128 445481614 /nfs/dbraw/zinc/48/16/14/445481614.db2.gz YCHHNPSDUZBNLB-RBUKOAKNSA-N 2 0 345.487 1.564 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000348902366 445434236 /nfs/dbraw/zinc/43/42/36/445434236.db2.gz BNEHUPDNEHZBEI-UHFFFAOYSA-N 2 0 337.508 1.893 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362554604 445436841 /nfs/dbraw/zinc/43/68/41/445436841.db2.gz YXCUGMCJWCSPJY-KBPBESRZSA-N 2 0 333.480 1.727 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857848 445462793 /nfs/dbraw/zinc/46/27/93/445462793.db2.gz PIEHZQKXPZYGON-LSDHHAIUSA-N 2 0 336.480 1.561 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000357304339 445536958 /nfs/dbraw/zinc/53/69/58/445536958.db2.gz HYEYLZXOAILZSD-MSOLQXFVSA-N 2 0 349.475 1.523 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000359922972 445489866 /nfs/dbraw/zinc/48/98/66/445489866.db2.gz IYYKGSDWOOTYER-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP COC(=O)C(C)(C)CC[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000349061997 445492354 /nfs/dbraw/zinc/49/23/54/445492354.db2.gz KKMUSUNCZNASMS-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357240035 445500693 /nfs/dbraw/zinc/50/06/93/445500693.db2.gz LCKNUTNDVLVJLB-IEBWSBKVSA-N 2 0 336.524 1.300 20 0 EDADRP CCC[C@@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccnc1 ZINC000359961401 445505416 /nfs/dbraw/zinc/50/54/16/445505416.db2.gz SCRVDYNOSWSJSB-RBUKOAKNSA-N 2 0 332.492 1.919 20 0 EDADRP O=C1CNCCN1[C@H]1CCC[N@H+](Cc2cccc(-n3cccn3)c2)C1 ZINC000362697677 445505743 /nfs/dbraw/zinc/50/57/43/445505743.db2.gz LEPJIGVOJZAUAJ-SFHVURJKSA-N 2 0 339.443 1.269 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000357602104 445570663 /nfs/dbraw/zinc/57/06/63/445570663.db2.gz WJNZFMFKIZXHEU-WFASDCNBSA-N 2 0 348.447 1.077 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000357809019 445584225 /nfs/dbraw/zinc/58/42/25/445584225.db2.gz RPNVJPPDIFJVFJ-JKSUJKDBSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1 ZINC000358157248 445607925 /nfs/dbraw/zinc/60/79/25/445607925.db2.gz HDKAZAKKAHKEPF-HOTGVXAUSA-N 2 0 328.501 1.371 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000362926682 445613423 /nfs/dbraw/zinc/61/34/23/445613423.db2.gz RWYZDNXGLJGWFZ-RYQLBKOJSA-N 2 0 334.508 1.985 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2C(=O)NC)[C@@H](C)C1 ZINC000358235010 445613750 /nfs/dbraw/zinc/61/37/50/445613750.db2.gz HRUZBZZYYIQZKO-VVLHAWIVSA-N 2 0 325.497 1.628 20 0 EDADRP COc1cc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000353511940 445636282 /nfs/dbraw/zinc/63/62/82/445636282.db2.gz WCOIJKYOQLADHE-IBGZPJMESA-N 2 0 349.475 1.642 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000362988870 445640087 /nfs/dbraw/zinc/64/00/87/445640087.db2.gz GQRKZLVBNHUZDG-FQEVSTJZSA-N 2 0 344.503 1.143 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362873801 445592097 /nfs/dbraw/zinc/59/20/97/445592097.db2.gz JCGATFQZVLGTHV-INIZCTEOSA-N 2 0 347.503 1.913 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000357975986 445597092 /nfs/dbraw/zinc/59/70/92/445597092.db2.gz PJKNIWLOKMRSEZ-DLBZAZTESA-N 2 0 341.544 1.290 20 0 EDADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000353550256 445652835 /nfs/dbraw/zinc/65/28/35/445652835.db2.gz HDFSKSSWYFHBCB-UONOGXRCSA-N 2 0 327.469 1.284 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CC[N@@H+]1C ZINC000353710476 445719455 /nfs/dbraw/zinc/71/94/55/445719455.db2.gz NUYOZYRIDJCPOA-DOTOQJQBSA-N 2 0 330.476 1.995 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000358691350 445719925 /nfs/dbraw/zinc/71/99/25/445719925.db2.gz YPJHNBITPRZXAR-IEBWSBKVSA-N 2 0 348.491 1.218 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@@H](CO)O2)CC1 ZINC000353683396 445705092 /nfs/dbraw/zinc/70/50/92/445705092.db2.gz FMAACUIELQPHEB-MSOLQXFVSA-N 2 0 333.476 1.458 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358678122 445711382 /nfs/dbraw/zinc/71/13/82/445711382.db2.gz GBJRMXOOQBTCJD-IBGZPJMESA-N 2 0 348.491 1.394 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358708700 445732655 /nfs/dbraw/zinc/73/26/55/445732655.db2.gz QRCZMHGBDNFCIX-WBVHZDCISA-N 2 0 326.485 1.007 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267929 445757293 /nfs/dbraw/zinc/75/72/93/445757293.db2.gz CKTLYPFQUHORTE-QRVBRYPASA-N 3 0 338.540 1.103 20 0 EDADRP CCc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc(=O)[nH]1 ZINC000350062985 445759936 /nfs/dbraw/zinc/75/99/36/445759936.db2.gz DWDBXPGTJBYHDV-UHFFFAOYSA-N 2 0 336.480 1.695 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356509906 445832001 /nfs/dbraw/zinc/83/20/01/445832001.db2.gz UYVDNMGBEKFOEY-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2CC23CC[NH2+]CC3)c2ccccc2O1 ZINC000361699270 445883704 /nfs/dbraw/zinc/88/37/04/445883704.db2.gz FNRJHAZFKVTTQX-GJZGRUSLSA-N 2 0 329.444 1.732 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000369109083 445934981 /nfs/dbraw/zinc/93/49/81/445934981.db2.gz QADPQQVYDJMDIM-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000359060746 445919662 /nfs/dbraw/zinc/91/96/62/445919662.db2.gz URQZDSFXARDAHV-SJORKVTESA-N 2 0 342.528 1.907 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000582726714 325913088 /nfs/dbraw/zinc/91/30/88/325913088.db2.gz FJCQUYDWLNRIKB-UETVFIHBSA-N 2 0 344.459 1.369 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3CC[NH+](C)[C@H]3C2)CCCO1 ZINC000372965932 445948280 /nfs/dbraw/zinc/94/82/80/445948280.db2.gz FDVBHQJXWONJLF-ZACQAIPSSA-N 2 0 338.496 1.223 20 0 EDADRP COc1cccc(CNC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350920345 445949642 /nfs/dbraw/zinc/94/96/42/445949642.db2.gz QXGMLULZMOODJM-OAHLLOKOSA-N 2 0 333.476 1.974 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1C ZINC000354224701 446021786 /nfs/dbraw/zinc/02/17/86/446021786.db2.gz OSZODRDVIDNDGK-CRAIPNDOSA-N 2 0 336.524 1.534 20 0 EDADRP O[C@@H](COc1ccccc1)CN1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359201264 446029256 /nfs/dbraw/zinc/02/92/56/446029256.db2.gz ZJVIGQCOXZERJZ-LJQANCHMSA-N 2 0 347.503 1.434 20 0 EDADRP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582898996 325953251 /nfs/dbraw/zinc/95/32/51/325953251.db2.gz IONWXVCTHMMHDB-ALKREAHSSA-N 2 0 329.444 1.843 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000356814444 446044699 /nfs/dbraw/zinc/04/46/99/446044699.db2.gz AQYMRTMGUPXQOT-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000583311670 326046801 /nfs/dbraw/zinc/04/68/01/326046801.db2.gz CNNHQTUVQGFASA-NVXWUHKLSA-N 2 0 334.464 1.266 20 0 EDADRP CO[C@@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](C[NH3+])C1 ZINC000359219292 446049933 /nfs/dbraw/zinc/04/99/33/446049933.db2.gz PLLSKHUXXCCMNQ-QZTJIDSGSA-N 2 0 340.427 1.825 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000584290030 326236450 /nfs/dbraw/zinc/23/64/50/326236450.db2.gz XQKWOLGQRSASMT-WPECMILSSA-N 2 0 335.492 1.367 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C1CCN(C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000351441012 446065880 /nfs/dbraw/zinc/06/58/80/446065880.db2.gz JMDQFFLBBZKARY-RHSMWYFYSA-N 2 0 325.497 1.314 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)NCC3=CC[N@H+](C)CC3)CC2)CC1 ZINC000373227441 446105273 /nfs/dbraw/zinc/10/52/73/446105273.db2.gz JQEAIYUSTIMFAP-UHFFFAOYSA-N 2 0 349.523 1.106 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCCC[NH2+]3)[C@H](C)C2)s1 ZINC000366319819 446148057 /nfs/dbraw/zinc/14/80/57/446148057.db2.gz CJHOBOKJIUUQII-UHOFOFEASA-N 2 0 336.505 1.920 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000373306084 446156599 /nfs/dbraw/zinc/15/65/99/446156599.db2.gz TXSBQHJVZCGPJD-UHFFFAOYSA-N 2 0 337.537 1.728 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]2C[NH2+]CCC[C@@H]21 ZINC000373559895 446261439 /nfs/dbraw/zinc/26/14/39/446261439.db2.gz HFOIVBMEHBGSFP-UXLLHSPISA-N 2 0 331.464 1.412 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417500375 446356110 /nfs/dbraw/zinc/35/61/10/446356110.db2.gz IKFRHMAFBACSPU-OALUTQOASA-N 2 0 344.503 1.802 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000417668599 446369235 /nfs/dbraw/zinc/36/92/35/446369235.db2.gz JTOZXSDMIXTVNF-XHSDSOJGSA-N 2 0 328.501 1.421 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000417730693 446371428 /nfs/dbraw/zinc/37/14/28/446371428.db2.gz DWFHQQROAQVIFV-HNNXBMFYSA-N 2 0 330.476 1.337 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000417842954 446375468 /nfs/dbraw/zinc/37/54/68/446375468.db2.gz VEQJATBRKAPFDK-OALUTQOASA-N 2 0 327.472 1.979 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCCO[C@H](C[NH3+])C2)cc1F ZINC000417932636 446390360 /nfs/dbraw/zinc/39/03/60/446390360.db2.gz MOTUPOKCXRVEKR-OAHLLOKOSA-N 2 0 338.427 1.147 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000374880141 446431175 /nfs/dbraw/zinc/43/11/75/446431175.db2.gz KUHAGWCPPMNVDF-OWCLPIDISA-N 2 0 337.464 1.483 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H](CN[C@H]3CC[NH2+]C3)C3(C2)CCOCC3)cc1 ZINC000423129187 446433572 /nfs/dbraw/zinc/43/35/72/446433572.db2.gz DZXBJKQFRQWTAV-MOPGFXCFSA-N 2 0 329.488 1.867 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417983946 446406454 /nfs/dbraw/zinc/40/64/54/446406454.db2.gz FXSONOGDLSDQPG-IAGOWNOFSA-N 2 0 332.448 1.621 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417981812 446406731 /nfs/dbraw/zinc/40/67/31/446406731.db2.gz ANVDCYOAONQWHZ-QAPCUYQASA-N 2 0 346.475 1.052 20 0 EDADRP C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982330 446406972 /nfs/dbraw/zinc/40/69/72/446406972.db2.gz AABYVMYMKLNHKW-BQFCYCMXSA-N 2 0 330.476 1.900 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)NCCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417983951 446407210 /nfs/dbraw/zinc/40/72/10/446407210.db2.gz FXSONOGDLSDQPG-SJORKVTESA-N 2 0 332.448 1.621 20 0 EDADRP C[C@H](NC(=O)N1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418005328 446413565 /nfs/dbraw/zinc/41/35/65/446413565.db2.gz KXAKPUJPXQYSNY-WMZOPIPTSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418012439 446415682 /nfs/dbraw/zinc/41/56/82/446415682.db2.gz LXTLCYQYBDOOGD-ONIAQPFYSA-N 2 0 330.476 1.886 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)ccc1C[NH+](C)C ZINC000411187526 446422176 /nfs/dbraw/zinc/42/21/76/446422176.db2.gz BELUGKZDFHDOHH-CQSZACIVSA-N 2 0 334.464 1.452 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000418050573 446425887 /nfs/dbraw/zinc/42/58/87/446425887.db2.gz WPMRRLTXJJZTMN-RDJZCZTQSA-N 2 0 326.485 1.319 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC[NH+](C)CC1 ZINC000418195751 446455522 /nfs/dbraw/zinc/45/55/22/446455522.db2.gz GKRWQYAEKLQJIS-ZIAGYGMSSA-N 2 0 328.526 1.631 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423219972 446456777 /nfs/dbraw/zinc/45/67/77/446456777.db2.gz XDTDIKUKBQHFMU-RAQOOLMWSA-N 2 0 340.265 1.872 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319908 446485407 /nfs/dbraw/zinc/48/54/07/446485407.db2.gz AXDKDHRJNXZAPP-ZWKOTPCHSA-N 2 0 345.487 1.771 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325860 446493467 /nfs/dbraw/zinc/49/34/67/446493467.db2.gz BWUUXKBLSSAYIA-IYBDPMFKSA-N 2 0 341.455 1.994 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000423338471 446494730 /nfs/dbraw/zinc/49/47/30/446494730.db2.gz RSMJZCMMDQYAIK-YOEHRIQHSA-N 2 0 347.459 1.425 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423398552 446516318 /nfs/dbraw/zinc/51/63/18/446516318.db2.gz CZJRYNHENXIMOF-MRXNPFEDSA-N 2 0 347.507 1.739 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339512 446509705 /nfs/dbraw/zinc/50/97/05/446509705.db2.gz LXHJTXJQHCMGNR-JKSUJKDBSA-N 2 0 345.443 1.353 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418359250 446513643 /nfs/dbraw/zinc/51/36/43/446513643.db2.gz ZTOGACNQGOTIQP-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423388363 446513975 /nfs/dbraw/zinc/51/39/75/446513975.db2.gz KNRRHKNMTNWFFG-BPUTZDHNSA-N 2 0 344.425 1.371 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418323386 446497754 /nfs/dbraw/zinc/49/77/54/446497754.db2.gz UTENYIRWHALUBV-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329726 446498867 /nfs/dbraw/zinc/49/88/67/446498867.db2.gz OVOOHIXTJXLLGX-LSDHHAIUSA-N 2 0 337.414 1.903 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000420385459 446560862 /nfs/dbraw/zinc/56/08/62/446560862.db2.gz GWVCQRHCAMUELC-OLMNPRSZSA-N 2 0 347.503 1.476 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000420389167 446564845 /nfs/dbraw/zinc/56/48/45/446564845.db2.gz MALYAFOROGYARL-HAGHYFMRSA-N 2 0 343.446 1.483 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420345744 446518960 /nfs/dbraw/zinc/51/89/60/446518960.db2.gz WNQNNFNDOAGYFH-JKSUJKDBSA-N 2 0 344.459 1.436 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423403587 446519644 /nfs/dbraw/zinc/51/96/44/446519644.db2.gz YPOCYBPFNJTGFI-IAGOWNOFSA-N 2 0 333.476 1.940 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418386739 446522502 /nfs/dbraw/zinc/52/25/02/446522502.db2.gz LUSZFZBMWJFDLA-CYBMUJFWSA-N 2 0 342.434 1.894 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423417020 446525126 /nfs/dbraw/zinc/52/51/26/446525126.db2.gz GGFNPXBWCSRLPQ-LASHMREHSA-N 2 0 329.488 1.600 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000418394497 446525968 /nfs/dbraw/zinc/52/59/68/446525968.db2.gz ZMKFQMAUCCTBQZ-BBWFWOEESA-N 2 0 333.480 1.699 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418392836 446526205 /nfs/dbraw/zinc/52/62/05/446526205.db2.gz ZYCIMHNWRKKLRE-OAHLLOKOSA-N 2 0 340.418 1.790 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000423420892 446528322 /nfs/dbraw/zinc/52/83/22/446528322.db2.gz AMEVMTXDWNMQSK-HZPDHXFCSA-N 2 0 345.491 1.825 20 0 EDADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)CC2 ZINC000423424929 446530925 /nfs/dbraw/zinc/53/09/25/446530925.db2.gz LXNWFZJWMDUFKF-MRVWCRGKSA-N 2 0 325.250 1.915 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423428336 446532663 /nfs/dbraw/zinc/53/26/63/446532663.db2.gz GMEQNUPRGCWALY-JKSUJKDBSA-N 2 0 347.507 1.834 20 0 EDADRP CC(C)c1nc2n(n1)CCC[C@@H]2NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137592 446535556 /nfs/dbraw/zinc/53/55/56/446535556.db2.gz PBLRWTRGTWKSHS-HNNXBMFYSA-N 2 0 348.495 1.556 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433151844 446538725 /nfs/dbraw/zinc/53/87/25/446538725.db2.gz PENFIKFPUDAXQY-HLLBOEOZSA-N 2 0 325.497 1.565 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(NC(N)=O)cc1 ZINC000433153075 446539328 /nfs/dbraw/zinc/53/93/28/446539328.db2.gz ODBJFXMSKVZZHK-CYBMUJFWSA-N 2 0 347.463 1.558 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000418450646 446547501 /nfs/dbraw/zinc/54/75/01/446547501.db2.gz LVJUDDHFJNFFDR-IRXDYDNUSA-N 2 0 334.464 1.439 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@H]1COCCN1C1CCCC1 ZINC000423462820 446547527 /nfs/dbraw/zinc/54/75/27/446547527.db2.gz PNTYSNHCDSTRLB-SYCZQAEJSA-N 2 0 335.492 1.652 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418501705 446567855 /nfs/dbraw/zinc/56/78/55/446567855.db2.gz RXGDGPHSKCBODY-KRWDZBQOSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000418460677 446552096 /nfs/dbraw/zinc/55/20/96/446552096.db2.gz KOPQQWPKBCRQQV-RHSMWYFYSA-N 2 0 334.464 1.352 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C(C)C ZINC000420393377 446568149 /nfs/dbraw/zinc/56/81/49/446568149.db2.gz QJMKMHSLRZRENQ-DLBZAZTESA-N 2 0 325.497 1.850 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2ccccc2)CC1 ZINC000411463248 446553956 /nfs/dbraw/zinc/55/39/56/446553956.db2.gz SCPRSUMIUQWCBM-SFHVURJKSA-N 2 0 333.476 1.689 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000375059964 446554029 /nfs/dbraw/zinc/55/40/29/446554029.db2.gz KZWKTBXFWQJTMT-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1C[N@H+](CCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000420379372 446554596 /nfs/dbraw/zinc/55/45/96/446554596.db2.gz VMEDAKNHYGFWBS-CQSZACIVSA-N 2 0 329.452 1.025 20 0 EDADRP COC[C@@]1(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CCC[NH2+]1 ZINC000418627396 446620216 /nfs/dbraw/zinc/62/02/16/446620216.db2.gz AYOXISSYEIJXDU-WBVHZDCISA-N 2 0 326.485 1.271 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420396739 446570527 /nfs/dbraw/zinc/57/05/27/446570527.db2.gz WHYZAJRXFIMZPX-NUEKZKHPSA-N 2 0 325.497 1.898 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000418510841 446572725 /nfs/dbraw/zinc/57/27/25/446572725.db2.gz QQGROTDTVHMFQL-KRWDZBQOSA-N 2 0 340.512 1.520 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH3+] ZINC000418517615 446576746 /nfs/dbraw/zinc/57/67/46/446576746.db2.gz ZPIXALNKBJHRLM-GOSISDBHSA-N 2 0 334.464 1.004 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000375166621 446618705 /nfs/dbraw/zinc/61/87/05/446618705.db2.gz KADHQXMCOOQOQC-INIZCTEOSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000418549081 446589843 /nfs/dbraw/zinc/58/98/43/446589843.db2.gz SMVLSTPFKHRGAP-WMZOPIPTSA-N 2 0 330.476 1.759 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC[N@@H+]1CCOC ZINC000418590080 446604677 /nfs/dbraw/zinc/60/46/77/446604677.db2.gz JHNSKGHLSWLULG-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)CCN1C1CC[NH+](C)CC1 ZINC000368094988 446639088 /nfs/dbraw/zinc/63/90/88/446639088.db2.gz VKNZGGVYDIOKMO-OAHLLOKOSA-N 2 0 345.491 1.388 20 0 EDADRP Cc1nc2ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc2s1 ZINC000420460456 446639591 /nfs/dbraw/zinc/63/95/91/446639591.db2.gz SCNYATKTMMAJOI-UHFFFAOYSA-N 2 0 342.490 1.293 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[N@H+](C)C1 ZINC000418666287 446640429 /nfs/dbraw/zinc/64/04/29/446640429.db2.gz FTYZDELXEUCLJV-BZSNNMDCSA-N 2 0 348.491 1.827 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690496 446648290 /nfs/dbraw/zinc/64/82/90/446648290.db2.gz XFBSOHOCWDOOKN-XOYOTBSWSA-N 2 0 328.460 1.620 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418691150 446648527 /nfs/dbraw/zinc/64/85/27/446648527.db2.gz QHMFVUWDDNCVMR-DJIMGWMZSA-N 2 0 334.464 1.048 20 0 EDADRP CCn1ccnc1CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000376687879 446651654 /nfs/dbraw/zinc/65/16/54/446651654.db2.gz IKLBKOPKAVZGNT-HOTGVXAUSA-N 2 0 345.491 1.516 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCC[NH2+]CC1 ZINC000423714474 446654999 /nfs/dbraw/zinc/65/49/99/446654999.db2.gz XJVGJUICILOSTQ-KRWDZBQOSA-N 3 0 326.529 1.498 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C[C@@H](C)C1 ZINC000418741274 446664064 /nfs/dbraw/zinc/66/40/64/446664064.db2.gz AJYCOXGHACLXEY-RFQIPJPRSA-N 2 0 330.423 1.355 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000418743213 446665078 /nfs/dbraw/zinc/66/50/78/446665078.db2.gz SEHSLELWLGWALV-IXDOHACOSA-N 2 0 338.496 1.258 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418754914 446673794 /nfs/dbraw/zinc/67/37/94/446673794.db2.gz IBUYOJPLYMJXPJ-KGLIPLIRSA-N 2 0 330.423 1.357 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH2+]C ZINC000418632675 446623660 /nfs/dbraw/zinc/62/36/60/446623660.db2.gz WCWJKDKHXYFERJ-RDJZCZTQSA-N 2 0 333.480 1.685 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)CCC[NH2+]1 ZINC000418652778 446634675 /nfs/dbraw/zinc/63/46/75/446634675.db2.gz JOMAANBSBJDGIY-GOSISDBHSA-N 2 0 340.512 1.518 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418776609 446695626 /nfs/dbraw/zinc/69/56/26/446695626.db2.gz UHROQENQWFMSBY-HNNXBMFYSA-N 2 0 347.463 1.454 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000418780790 446698613 /nfs/dbraw/zinc/69/86/13/446698613.db2.gz CGFVWOZECRSSQJ-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000423750486 446679680 /nfs/dbraw/zinc/67/96/80/446679680.db2.gz DNTDRKNANQHZQJ-MANSERQUSA-N 2 0 348.535 1.536 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423905143 446755425 /nfs/dbraw/zinc/75/54/25/446755425.db2.gz OXKFWDLWOPVVPQ-GUDVDZBRSA-N 2 0 343.471 1.488 20 0 EDADRP O[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000375372827 446755952 /nfs/dbraw/zinc/75/59/52/446755952.db2.gz GOBJHLRTRGWFTN-PJVZLEMVSA-N 2 0 338.492 1.634 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368374539 446819585 /nfs/dbraw/zinc/81/95/85/446819585.db2.gz IMTNYFBCZKXXQB-FUHWJXTLSA-N 2 0 328.460 1.019 20 0 EDADRP [NH3+]CC1(O)CCN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000424058768 446834498 /nfs/dbraw/zinc/83/44/98/446834498.db2.gz NUDTXINEPXXKGG-QGZVFWFLSA-N 2 0 331.460 1.353 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)o1 ZINC000368401744 446839505 /nfs/dbraw/zinc/83/95/05/446839505.db2.gz GCJKWXUHPKKNHZ-SUMWQHHRSA-N 2 0 346.431 1.972 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438886952 446802950 /nfs/dbraw/zinc/80/29/50/446802950.db2.gz YPAHNOGGYRPJNK-RDJZCZTQSA-N 2 0 344.459 1.265 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cn[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000424136396 446860100 /nfs/dbraw/zinc/86/01/00/446860100.db2.gz ANYKUVOKYYUPEW-GFCCVEGCSA-N 2 0 337.387 1.710 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419080380 446911362 /nfs/dbraw/zinc/91/13/62/446911362.db2.gz PEAOUIRCXUKSFI-HOTGVXAUSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000375593338 446911684 /nfs/dbraw/zinc/91/16/84/446911684.db2.gz XJNQIKLXQZGPPD-QGZVFWFLSA-N 2 0 332.492 1.951 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2[C@@H]3CCCC[C@H]3C[C@H]2C(N)=O)CC1 ZINC000375597830 446914555 /nfs/dbraw/zinc/91/45/55/446914555.db2.gz LOSHUZMWYPDXDC-KSZLIROESA-N 2 0 336.524 1.521 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C12CCC[NH+]1CCC2 ZINC000377096405 446916754 /nfs/dbraw/zinc/91/67/54/446916754.db2.gz ANPZDLYORBQLKM-UHFFFAOYSA-N 2 0 335.492 1.766 20 0 EDADRP Cc1cccc(C[N@@H+]2CCCC[C@@H]2C(=O)NCCN2CC[NH2+]CC2)c1 ZINC000368562553 446945901 /nfs/dbraw/zinc/94/59/01/446945901.db2.gz QFHKRLRYAATUCY-LJQANCHMSA-N 2 0 344.503 1.371 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419216783 447014114 /nfs/dbraw/zinc/01/41/14/447014114.db2.gz PVIGTYHLGFTOCW-QGZVFWFLSA-N 2 0 346.475 1.011 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC000454866333 446991496 /nfs/dbraw/zinc/99/14/96/446991496.db2.gz DVUDQUNNGJWDGC-QRVBRYPASA-N 2 0 342.487 1.854 20 0 EDADRP Cc1nccn1CC[N@@H+]1CCCC[C@@H]1COC(=O)N[C@@H]1CCOC1 ZINC000375813341 447071628 /nfs/dbraw/zinc/07/16/28/447071628.db2.gz ZIFGMKCGZJVMPZ-HZPDHXFCSA-N 2 0 336.436 1.561 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372367315 447050487 /nfs/dbraw/zinc/05/04/87/447050487.db2.gz GIDZRVSWTUXHBP-SFHVURJKSA-N 2 0 344.503 1.506 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C1CC1 ZINC000372527721 447112267 /nfs/dbraw/zinc/11/22/67/447112267.db2.gz SXRWKIYZDCWQCI-WMZOPIPTSA-N 2 0 345.491 1.858 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000413224235 447078313 /nfs/dbraw/zinc/07/83/13/447078313.db2.gz FDJOAKLWLPQKEC-MOPGFXCFSA-N 2 0 344.503 1.944 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444167204 447084686 /nfs/dbraw/zinc/08/46/86/447084686.db2.gz DKYKNYHXACKULO-CMKODMSKSA-N 2 0 327.472 1.667 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1(C)C ZINC000444189625 447093843 /nfs/dbraw/zinc/09/38/43/447093843.db2.gz VWXDOGIDUYSTQZ-DAXOMENPSA-N 2 0 329.510 1.072 20 0 EDADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368822010 447135437 /nfs/dbraw/zinc/13/54/37/447135437.db2.gz JRDYJLJGLZIATD-SFHVURJKSA-N 2 0 338.540 1.057 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000419404382 447154069 /nfs/dbraw/zinc/15/40/69/447154069.db2.gz GDGHKTLNWFQFSK-GOEBONIOSA-N 2 0 338.496 1.001 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000425438173 447162616 /nfs/dbraw/zinc/16/26/16/447162616.db2.gz ACWNAMIKFXQKEI-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC000375902512 447134977 /nfs/dbraw/zinc/13/49/77/447134977.db2.gz FRRBZYBRYZNSJK-SFHVURJKSA-N 2 0 330.476 1.386 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@H](C)C1 ZINC000377525922 447180452 /nfs/dbraw/zinc/18/04/52/447180452.db2.gz SXKGCMVBCNKTMU-QBPKDAKJSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000375973084 447184486 /nfs/dbraw/zinc/18/44/86/447184486.db2.gz HIIAKIFBUFSXKW-BFYDXBDKSA-N 2 0 333.480 1.485 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000375973088 447185703 /nfs/dbraw/zinc/18/57/03/447185703.db2.gz HIIAKIFBUFSXKW-INMHGKMJSA-N 2 0 333.480 1.485 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000419453391 447186610 /nfs/dbraw/zinc/18/66/10/447186610.db2.gz XSJZRYMGVCCUQD-ZACQAIPSSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419452366 447187461 /nfs/dbraw/zinc/18/74/61/447187461.db2.gz OZXWRFCQAZHOLX-BZUAXINKSA-N 2 0 342.528 1.449 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000419456460 447189814 /nfs/dbraw/zinc/18/98/14/447189814.db2.gz ABHYQAPHMLMCKO-YESZJQIVSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000419544427 447255906 /nfs/dbraw/zinc/25/59/06/447255906.db2.gz HRIBTCTXVCACIF-GOEBONIOSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000372732808 447254606 /nfs/dbraw/zinc/25/46/06/447254606.db2.gz RVTWMUMWXCJCHA-MRXNPFEDSA-N 2 0 349.475 1.156 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000419486433 447216747 /nfs/dbraw/zinc/21/67/47/447216747.db2.gz XRRCZCFHPHTCDY-BZUAXINKSA-N 2 0 338.496 1.014 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000372677170 447219803 /nfs/dbraw/zinc/21/98/03/447219803.db2.gz XOOUFJQKIHAOAF-MRXNPFEDSA-N 2 0 345.553 1.534 20 0 EDADRP OC[C@@H]1CCCC[NH+](CCOCC[N@H+]2CCCC[C@H](CO)C2)C1 ZINC000372704076 447235093 /nfs/dbraw/zinc/23/50/93/447235093.db2.gz QYGOBPAXMOLVLQ-HDICACEKSA-N 2 0 328.497 1.192 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458810977 447479452 /nfs/dbraw/zinc/47/94/52/447479452.db2.gz OCIDZDHCTRPDHS-CVEARBPZSA-N 2 0 328.501 1.253 20 0 EDADRP COCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000390006662 447490074 /nfs/dbraw/zinc/49/00/74/447490074.db2.gz XAAXCNXMXKQFPV-FUHWJXTLSA-N 2 0 345.487 1.639 20 0 EDADRP [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000415541390 447505395 /nfs/dbraw/zinc/50/53/95/447505395.db2.gz RCHWQAILIXWNNC-KRWDZBQOSA-N 2 0 344.459 1.117 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000426874818 447511017 /nfs/dbraw/zinc/51/10/17/447511017.db2.gz KXCSHQXFFIQDLD-HNNXBMFYSA-N 2 0 335.492 1.478 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+]C[C@H](C)C[NH+]2CCCC2)CC1 ZINC000391493216 447515098 /nfs/dbraw/zinc/51/50/98/447515098.db2.gz FPMXCJBRVZMSDO-HJOIGYKYSA-N 2 0 326.481 1.792 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211859 447540266 /nfs/dbraw/zinc/54/02/66/447540266.db2.gz XATYTHPCWWVSLK-DLBZAZTESA-N 2 0 345.487 1.348 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908446 447635314 /nfs/dbraw/zinc/63/53/14/447635314.db2.gz BOOAEJSDLFMMQW-YJBOKZPZSA-N 2 0 336.480 1.134 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000459148895 447594750 /nfs/dbraw/zinc/59/47/50/447594750.db2.gz GISDMXRKKUSMAM-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000404200375 447595470 /nfs/dbraw/zinc/59/54/70/447595470.db2.gz JVMIRLWCLNSLFL-ZCNNSNEGSA-N 2 0 347.503 1.274 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H](c2cccs2)[NH+](C)C)CCC[NH2+]1 ZINC000416435499 447601497 /nfs/dbraw/zinc/60/14/97/447601497.db2.gz FIGBEODFPIETQY-XJKSGUPXSA-N 2 0 340.493 1.419 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000457639757 447606260 /nfs/dbraw/zinc/60/62/60/447606260.db2.gz PSRCGELKPRIWQH-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000416825290 447692464 /nfs/dbraw/zinc/69/24/64/447692464.db2.gz AQXPMKUFDYGSCG-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000416851892 447697216 /nfs/dbraw/zinc/69/72/16/447697216.db2.gz RWVHNXRWQYMKJP-ROUUACIJSA-N 2 0 332.492 1.800 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])C1 ZINC000416873486 447700072 /nfs/dbraw/zinc/70/00/72/447700072.db2.gz RWNHDEMFQZYOGM-ARFHVFGLSA-N 2 0 326.485 1.255 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000416890098 447702356 /nfs/dbraw/zinc/70/23/56/447702356.db2.gz QQDALAPGOQQYLJ-SJORKVTESA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@H]12 ZINC000416816113 447691135 /nfs/dbraw/zinc/69/11/35/447691135.db2.gz IMMZDQUSPFBVKG-QXSJWSMHSA-N 2 0 332.448 1.795 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H](C)C2C[NH2+]C2)s1 ZINC000422721829 447728688 /nfs/dbraw/zinc/72/86/88/447728688.db2.gz WCAKAAALDMLRKE-GFCCVEGCSA-N 2 0 345.534 1.519 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000422738888 447733928 /nfs/dbraw/zinc/73/39/28/447733928.db2.gz KGORIFYOAPJUSN-RYQLBKOJSA-N 2 0 332.492 1.122 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000422739427 447734202 /nfs/dbraw/zinc/73/42/02/447734202.db2.gz LGABGJWJSPMEDA-ZIAGYGMSSA-N 2 0 327.494 1.730 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000422739444 447734245 /nfs/dbraw/zinc/73/42/45/447734245.db2.gz LHZZRYAOIDZDOA-PXNSSMCTSA-N 3 0 332.536 1.808 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@H](C)N2CCOCC2)CC[NH2+]CC1 ZINC000422745100 447736586 /nfs/dbraw/zinc/73/65/86/447736586.db2.gz UNJWQFFHFSNXKF-PMPSAXMXSA-N 2 0 341.496 1.007 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000422757062 447741513 /nfs/dbraw/zinc/74/15/13/447741513.db2.gz JGVZIZWQOJXBQM-SUMDDJOVSA-N 2 0 333.476 1.656 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422776784 447748050 /nfs/dbraw/zinc/74/80/50/447748050.db2.gz DLWJRPNDIZLTMP-RCCFBDPRSA-N 2 0 334.460 1.993 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422807067 447755896 /nfs/dbraw/zinc/75/58/96/447755896.db2.gz LWXQAHFLFYBUOZ-QZTJIDSGSA-N 2 0 331.460 1.666 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422843200 447766658 /nfs/dbraw/zinc/76/66/58/447766658.db2.gz HIWRRJAGYDIBEC-IEBWSBKVSA-N 3 0 331.508 1.701 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(N2CCOCC2)c1 ZINC000422849278 447768433 /nfs/dbraw/zinc/76/84/33/447768433.db2.gz BTPSFLPDXXSXBQ-BPQIPLTHSA-N 2 0 333.476 1.674 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)CO[C@@H]2CCOC2)CC[NH2+]CC1 ZINC000422860019 447769444 /nfs/dbraw/zinc/76/94/44/447769444.db2.gz HUTFNXGAPYRNPY-QLFBSQMISA-N 2 0 328.453 1.091 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422914895 447771639 /nfs/dbraw/zinc/77/16/39/447771639.db2.gz WKKWPFMIXMRMLT-LPHOPBHVSA-N 3 0 344.503 1.600 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422966348 447782819 /nfs/dbraw/zinc/78/28/19/447782819.db2.gz RBPMGMKYMUFFRN-HOCLYGCPSA-N 2 0 331.526 1.544 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCCNC(=O)C(C)C)CC[NH2+]CC1 ZINC000423016764 447791739 /nfs/dbraw/zinc/79/17/39/447791739.db2.gz UNHUNGIQOCEHGU-AWEZNQCLSA-N 2 0 327.469 1.060 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCc2cccs2)CC1 ZINC000451994943 447798298 /nfs/dbraw/zinc/79/82/98/447798298.db2.gz WABHEFQSBJGSAN-UHFFFAOYSA-N 2 0 338.521 1.370 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051834 447798650 /nfs/dbraw/zinc/79/86/50/447798650.db2.gz OGSYKAVBSMOMPZ-LSDHHAIUSA-N 2 0 328.478 1.501 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCCCN2C2CC2)CC[NH2+]CC1 ZINC000423078148 447800011 /nfs/dbraw/zinc/80/00/11/447800011.db2.gz VFXYBFHNOSKUCQ-DOTOQJQBSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H](CNc1ncc(Cl)c(NC[C@@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000489021189 447851566 /nfs/dbraw/zinc/85/15/66/447851566.db2.gz VBBWZZZNGGAYBA-CHWSQXEVSA-N 2 0 342.919 1.193 20 0 EDADRP C[C@@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496559547 447819569 /nfs/dbraw/zinc/81/95/69/447819569.db2.gz QXWJPBFVKQOVQC-HOCLYGCPSA-N 2 0 343.512 1.924 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Nc1ccccc1 ZINC000576029822 447953477 /nfs/dbraw/zinc/95/34/77/447953477.db2.gz BRTJEZBHMAHLLY-QZTJIDSGSA-N 2 0 331.460 1.983 20 0 EDADRP CN(C[C@@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000496847335 447964744 /nfs/dbraw/zinc/96/47/44/447964744.db2.gz OFUIBIOVSTXRNQ-GJZGRUSLSA-N 2 0 329.485 1.536 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531064904 448013159 /nfs/dbraw/zinc/01/31/59/448013159.db2.gz SCOZGFKLAGUHLK-QUCCMNQESA-N 2 0 345.487 1.566 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)n1 ZINC000525228536 447980720 /nfs/dbraw/zinc/98/07/20/447980720.db2.gz IHGMTTRLJNOKJA-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000553578336 447998753 /nfs/dbraw/zinc/99/87/53/447998753.db2.gz RLVFENZUHMOTRY-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000570224468 447968097 /nfs/dbraw/zinc/96/80/97/447968097.db2.gz VDADWEAXMGYCJU-YJBOKZPZSA-N 2 0 345.491 1.534 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc(Cl)cc1 ZINC000525882533 448047254 /nfs/dbraw/zinc/04/72/54/448047254.db2.gz JITZSASHBZBCKV-UHFFFAOYSA-N 2 0 340.855 1.230 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000570697654 448052866 /nfs/dbraw/zinc/05/28/66/448052866.db2.gz APDLMVYQWSXGQB-MRXNPFEDSA-N 2 0 338.496 1.016 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000526062104 448091514 /nfs/dbraw/zinc/09/15/14/448091514.db2.gz KJDBQKKVIIRJPT-XKQJLSEDSA-N 2 0 325.416 1.662 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000531525850 448098703 /nfs/dbraw/zinc/09/87/03/448098703.db2.gz CVNHPRZDDADERA-KRWDZBQOSA-N 2 0 328.501 1.471 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000576634638 448101362 /nfs/dbraw/zinc/10/13/62/448101362.db2.gz YIEVZZUSMKDEGI-OAHLLOKOSA-N 2 0 334.464 1.763 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000502763757 448105862 /nfs/dbraw/zinc/10/58/62/448105862.db2.gz WGLFKHGBNCAERG-PVAVHDDUSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531570050 448107689 /nfs/dbraw/zinc/10/76/89/448107689.db2.gz TUNKJUAPZCBXDI-ZTNFWEORSA-N 2 0 343.471 1.222 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000571169305 448117385 /nfs/dbraw/zinc/11/73/85/448117385.db2.gz MQLUUJBKKGOPJE-MSOLQXFVSA-N 2 0 349.519 1.870 20 0 EDADRP C[NH+](C)CCCCC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000556692852 448131689 /nfs/dbraw/zinc/13/16/89/448131689.db2.gz DCHNYRWHPHHGOX-DLBZAZTESA-N 2 0 325.497 1.602 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000576799243 448140682 /nfs/dbraw/zinc/14/06/82/448140682.db2.gz IZOBEIKGTWVIEG-SJLPKXTDSA-N 2 0 345.491 1.603 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000576884766 448162778 /nfs/dbraw/zinc/16/27/78/448162778.db2.gz LIGXNWCPVYZHSH-RLLQIKCJSA-N 2 0 347.503 1.875 20 0 EDADRP C[C@@H]1C[C@H](C)N1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000527157842 448173551 /nfs/dbraw/zinc/17/35/51/448173551.db2.gz LTGPALMCFBSUBH-IYBDPMFKSA-N 2 0 331.464 1.786 20 0 EDADRP O=C(CCc1ccccc1)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000571642511 448185630 /nfs/dbraw/zinc/18/56/30/448185630.db2.gz VLVDOZLQFWTVSX-UHFFFAOYSA-N 2 0 344.503 1.059 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]CCC(=O)NC(N)=O)C1 ZINC000582415129 448229511 /nfs/dbraw/zinc/22/95/11/448229511.db2.gz ANHKJYXKUZDKJY-GASCZTMLSA-N 2 0 346.475 1.839 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000562197491 448242657 /nfs/dbraw/zinc/24/26/57/448242657.db2.gz PQBWHYKQHBZNNO-UHFFFAOYSA-N 2 0 336.484 1.784 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572014052 448264657 /nfs/dbraw/zinc/26/46/57/448264657.db2.gz MMFKRJJNGFSYIR-YOEHRIQHSA-N 2 0 331.464 1.595 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000532478827 448265040 /nfs/dbraw/zinc/26/50/40/448265040.db2.gz RFARBRIHZNWQGC-UHFFFAOYSA-N 2 0 338.496 1.809 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)[C@H](C)C1 ZINC000572118528 448292363 /nfs/dbraw/zinc/29/23/63/448292363.db2.gz RDXXAVBYKILKGA-NVXWUHKLSA-N 2 0 341.496 1.008 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@@H](C(N)=O)C3)cc2)C1 ZINC000591453279 448368820 /nfs/dbraw/zinc/36/88/20/448368820.db2.gz DUQDMLWTDCAWQA-CVEARBPZSA-N 2 0 344.459 1.274 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)CC1 ZINC000583000689 448399668 /nfs/dbraw/zinc/39/96/68/448399668.db2.gz UORCIEOYLUMZDU-HNNXBMFYSA-N 2 0 342.447 1.086 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCc3sc(Cl)cc32)CC1 ZINC000577842947 448399784 /nfs/dbraw/zinc/39/97/84/448399784.db2.gz PFUVHXVBNMCXSD-AAEUAGOBSA-N 2 0 329.897 1.587 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000572596066 448417048 /nfs/dbraw/zinc/41/70/48/448417048.db2.gz FNQATNRBFSRNSN-QAPCUYQASA-N 2 0 334.460 1.813 20 0 EDADRP O=C(COC1C[NH2+]C1)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000572597576 448418292 /nfs/dbraw/zinc/41/82/92/448418292.db2.gz LDACZYQULUBOHA-MRXNPFEDSA-N 2 0 337.851 1.582 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000578006394 448436570 /nfs/dbraw/zinc/43/65/70/448436570.db2.gz DQQBANOWIXFJLF-AEFFLSMTSA-N 2 0 334.460 1.950 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@H](C)O1 ZINC000578130682 448468520 /nfs/dbraw/zinc/46/85/20/448468520.db2.gz XELZRWGLVVHTFB-IYBDPMFKSA-N 2 0 325.497 1.853 20 0 EDADRP c1nc(NCC[C@H]2CCC[NH2+]C2)cc(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000584303044 448478912 /nfs/dbraw/zinc/47/89/12/448478912.db2.gz WAZCSGFYXRCTKV-IYBDPMFKSA-N 2 0 332.496 2.080 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334897 448521371 /nfs/dbraw/zinc/52/13/71/448521371.db2.gz YNWRFVRCNWQLKV-XJKSGUPXSA-N 2 0 328.526 1.501 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[NH2+]CCC1CC[NH+](C)CC1 ZINC000517024788 448525388 /nfs/dbraw/zinc/52/53/88/448525388.db2.gz CTPCBAXAVFBTAP-SFHVURJKSA-N 2 0 336.476 1.894 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)CC[NH2+]CC1 ZINC000573082325 448537628 /nfs/dbraw/zinc/53/76/28/448537628.db2.gz OQWPUEXWSUINAJ-CZUORRHYSA-N 2 0 346.475 1.553 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146959 448543523 /nfs/dbraw/zinc/54/35/23/448543523.db2.gz RDJSNRGXZWQUHY-CHWSQXEVSA-N 2 0 333.461 1.281 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567102353 448613729 /nfs/dbraw/zinc/61/37/29/448613729.db2.gz YXVQWACCAYOENP-AFMYVXGZSA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567102354 448613778 /nfs/dbraw/zinc/61/37/78/448613778.db2.gz YXVQWACCAYOENP-QLOJAFMTSA-N 2 0 345.487 1.612 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000517414801 448581896 /nfs/dbraw/zinc/58/18/96/448581896.db2.gz BPKARGDPOGRAAD-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000528711485 448640652 /nfs/dbraw/zinc/64/06/52/448640652.db2.gz BFPATVNUBYWZEF-INIZCTEOSA-N 2 0 348.447 1.089 20 0 EDADRP CCOC[C@@H]1C[N@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CCO1 ZINC000528718635 448643655 /nfs/dbraw/zinc/64/36/55/448643655.db2.gz HLZASHXPJSZBQY-IRXDYDNUSA-N 2 0 347.459 1.751 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000518176474 448651493 /nfs/dbraw/zinc/65/14/93/448651493.db2.gz VPBDHQCRIDVMRU-CRAIPNDOSA-N 2 0 336.524 1.569 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000573557139 448657415 /nfs/dbraw/zinc/65/74/15/448657415.db2.gz SOKANLFPHOJKLM-IXDOHACOSA-N 2 0 348.495 1.121 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000578872194 448658147 /nfs/dbraw/zinc/65/81/47/448658147.db2.gz SDJVYUGFJWRAIS-RDTXWAMCSA-N 2 0 331.460 1.827 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1=CC[N@H+](C)CC1 ZINC000567336678 448667241 /nfs/dbraw/zinc/66/72/41/448667241.db2.gz UMHHFRUJKRSBRS-JCGIZDLHSA-N 2 0 328.460 1.692 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(Cc3ccccc3)CCCC2)CC1 ZINC000584775449 448626878 /nfs/dbraw/zinc/62/68/78/448626878.db2.gz NCFWSJKNJPOAPF-HXUWFJFHSA-N 2 0 345.531 1.987 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])[C@@H](C)C1 ZINC000584783032 448631016 /nfs/dbraw/zinc/63/10/16/448631016.db2.gz JJDFDFQPFMCHFF-LUKYLMHMSA-N 2 0 327.513 1.859 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000567455490 448696472 /nfs/dbraw/zinc/69/64/72/448696472.db2.gz YGDLFVSSLFWGDI-CVEARBPZSA-N 2 0 339.528 1.219 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000579091141 448710909 /nfs/dbraw/zinc/71/09/09/448710909.db2.gz KRBSGFXXFOEFPM-VYDXJSESSA-N 2 0 334.464 1.170 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000573975136 448761404 /nfs/dbraw/zinc/76/14/04/448761404.db2.gz JXDFPOZLNOJZLR-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000579134634 448725115 /nfs/dbraw/zinc/72/51/15/448725115.db2.gz ZDHNDTMDGNRJHS-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000518984739 448728542 /nfs/dbraw/zinc/72/85/42/448728542.db2.gz FPCCIRNHTAEGMA-WBVHZDCISA-N 2 0 325.497 1.853 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000573957107 448758178 /nfs/dbraw/zinc/75/81/78/448758178.db2.gz NXGANTXTWBFSCI-KBAYOESNSA-N 2 0 337.895 1.784 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000529321728 448822211 /nfs/dbraw/zinc/82/22/11/448822211.db2.gz JHJIDFHMQYXAHN-GOSISDBHSA-N 2 0 345.491 1.937 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000579582658 448825551 /nfs/dbraw/zinc/82/55/51/448825551.db2.gz JLZFBDXOAABGDT-XDNAFOTISA-N 2 0 327.513 1.024 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000529337286 448831151 /nfs/dbraw/zinc/83/11/51/448831151.db2.gz GHSSKQMIPDRKEY-HOTGVXAUSA-N 2 0 338.496 1.400 20 0 EDADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529372615 448845992 /nfs/dbraw/zinc/84/59/92/448845992.db2.gz DJBGSKDHEADKCI-QGZVFWFLSA-N 2 0 346.475 1.281 20 0 EDADRP COc1cccc([C@H](C)N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000579691548 448853765 /nfs/dbraw/zinc/85/37/65/448853765.db2.gz OJKHZNRLBYTDOB-RDJZCZTQSA-N 2 0 346.475 1.835 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000520415534 448896241 /nfs/dbraw/zinc/89/62/41/448896241.db2.gz PKNRGWJKIXNHRM-GOSISDBHSA-N 2 0 348.491 1.659 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579927452 448911295 /nfs/dbraw/zinc/91/12/95/448911295.db2.gz VGUJTGNXJRTFJF-SJORKVTESA-N 2 0 337.508 1.604 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)c1ccccc1 ZINC000547787125 448929472 /nfs/dbraw/zinc/92/94/72/448929472.db2.gz GBCVNZYFJAKHEX-BSDSXHPESA-N 2 0 331.460 1.108 20 0 EDADRP Cc1[nH]nc2ncc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000520369382 448888675 /nfs/dbraw/zinc/88/86/75/448888675.db2.gz VDRAQMLYJIXZRW-IRXDYDNUSA-N 2 0 329.448 1.985 20 0 EDADRP CCOc1ccccc1[C@@H](CC)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569214721 448980569 /nfs/dbraw/zinc/98/05/69/448980569.db2.gz AQZSRXYDGQJCMR-GOEBONIOSA-N 2 0 334.464 1.821 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000521871120 449020974 /nfs/dbraw/zinc/02/09/74/449020974.db2.gz UWMVFQBAXPYKBA-UHFFFAOYSA-N 2 0 335.496 1.170 20 0 EDADRP C[NH+]1CC[C@@H](C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000521927770 449029191 /nfs/dbraw/zinc/02/91/91/449029191.db2.gz XXIGQZFILCFIHW-JKSUJKDBSA-N 2 0 344.459 1.145 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592957877 449079792 /nfs/dbraw/zinc/07/97/92/449079792.db2.gz RBHYUKXRWOVUHS-MRXNPFEDSA-N 2 0 347.507 1.912 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592958741 449082077 /nfs/dbraw/zinc/08/20/77/449082077.db2.gz IGZXNURYFSBRDR-QLFBSQMISA-N 2 0 333.480 1.712 20 0 EDADRP O=S(=O)(c1ccccc1)N1CCC[N@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000575109846 449037410 /nfs/dbraw/zinc/03/74/10/449037410.db2.gz AETUYDGHAAGYLF-MRXNPFEDSA-N 2 0 337.489 1.383 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCCN(Cc2cscn2)CC1 ZINC000521997319 449037730 /nfs/dbraw/zinc/03/77/30/449037730.db2.gz HCYDBRZVXJBATH-CYBMUJFWSA-N 2 0 340.518 1.273 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000575156667 449050495 /nfs/dbraw/zinc/05/04/95/449050495.db2.gz KXRQLEQAACOZDL-RBUKOAKNSA-N 2 0 342.487 1.916 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000575206264 449062003 /nfs/dbraw/zinc/06/20/03/449062003.db2.gz XMBPBHYCCRSCDD-RVKKMQEKSA-N 2 0 349.500 1.522 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@H]3Cc4c(cccc4Cl)[C@@H]23)CC1 ZINC000530244699 449093538 /nfs/dbraw/zinc/09/35/38/449093538.db2.gz PIDVBEHBZFQEAY-UOAMXJAYSA-N 2 0 335.879 1.176 20 0 EDADRP COC(=O)[C@@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893084 449237540 /nfs/dbraw/zinc/23/75/40/449237540.db2.gz OVUMDEMKDUVJRY-RDJZCZTQSA-N 2 0 332.444 1.819 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602003294 449271292 /nfs/dbraw/zinc/27/12/92/449271292.db2.gz TXECHCCCRAEIQB-OAHLLOKOSA-N 2 0 336.480 1.175 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC([C@H]4CCC[NH2+]C4)CC3)c21 ZINC000595960369 449283439 /nfs/dbraw/zinc/28/34/39/449283439.db2.gz DGWDHUQMOUYGBH-CVEARBPZSA-N 2 0 345.491 1.571 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000602117255 449358274 /nfs/dbraw/zinc/35/82/74/449358274.db2.gz FSGZMGFJYFVCCU-SFHVURJKSA-N 2 0 348.535 1.489 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000611848930 449444206 /nfs/dbraw/zinc/44/42/06/449444206.db2.gz IUIGQLRFDSJNCH-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP [NH3+]CCSCc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000594656497 449610878 /nfs/dbraw/zinc/61/08/78/449610878.db2.gz WEHVPBTXWYBVSE-INIZCTEOSA-N 2 0 331.489 1.992 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3ccc4c(c3)OCC[NH2+]C4)c21 ZINC000602551238 449669688 /nfs/dbraw/zinc/66/96/88/449669688.db2.gz OMZJZQJGKCKDCG-GFCCVEGCSA-N 2 0 341.415 1.454 20 0 EDADRP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1C ZINC000602657663 449733871 /nfs/dbraw/zinc/73/38/71/449733871.db2.gz QRASIJQTUVFNPA-MRXNPFEDSA-N 2 0 348.491 1.412 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612485686 449733965 /nfs/dbraw/zinc/73/39/65/449733965.db2.gz KCKZLURTBKJFQW-MRXNPFEDSA-N 2 0 340.512 1.022 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@@H](C)C3CC[NH+](C)CC3)C2)nc1 ZINC000612421344 449693791 /nfs/dbraw/zinc/69/37/91/449693791.db2.gz SYTDPOJASQGPSM-AWEZNQCLSA-N 2 0 346.475 1.767 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+]CC2CC[NH+](CCN(C)C)CC2)C1 ZINC000601267560 449786422 /nfs/dbraw/zinc/78/64/22/449786422.db2.gz MQSJGVSDZPBARW-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)C1 ZINC000601218977 449755778 /nfs/dbraw/zinc/75/57/78/449755778.db2.gz MRONGWZMUZHWTL-IAGOWNOFSA-N 2 0 340.512 1.515 20 0 EDADRP CCOC(=O)[C@]1(C)CCC[C@H]1[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000602723746 449769150 /nfs/dbraw/zinc/76/91/50/449769150.db2.gz SODSTMWOQOAFHG-CRAIPNDOSA-N 2 0 326.481 1.933 20 0 EDADRP CCN(C#N)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000602779983 449803141 /nfs/dbraw/zinc/80/31/41/449803141.db2.gz NYTZWTCKHPDSLR-UHFFFAOYSA-N 2 0 337.512 1.205 20 0 EDADRP C[C@H](CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000617753482 449817852 /nfs/dbraw/zinc/81/78/52/449817852.db2.gz DKUAXZQTASMULA-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP CCN(C#N)CC[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000602775675 449799352 /nfs/dbraw/zinc/79/93/52/449799352.db2.gz MQNQAJWQHGTZBE-UHFFFAOYSA-N 2 0 335.496 1.056 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NC(=O)NC3CCCCC3)C2)CC1 ZINC000602875939 449884256 /nfs/dbraw/zinc/88/42/56/449884256.db2.gz BYHBQROGVVGSOX-UHFFFAOYSA-N 2 0 336.480 1.563 20 0 EDADRP CN1CCC(CNC(=O)NCCC[NH+](C)C)([NH+]2CCCCC2)CC1 ZINC000608614993 449887463 /nfs/dbraw/zinc/88/74/63/449887463.db2.gz FRXIAPZDKXFAES-UHFFFAOYSA-N 3 0 339.528 1.188 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 ZINC000615271356 450033841 /nfs/dbraw/zinc/03/38/41/450033841.db2.gz WGRDLDPBOGRYFP-IAGOWNOFSA-N 2 0 332.448 1.084 20 0 EDADRP CCCCNC(=O)NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603110598 450073134 /nfs/dbraw/zinc/07/31/34/450073134.db2.gz MKIYBWHJLANZTH-UHFFFAOYSA-N 2 0 326.485 1.810 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000625426169 450354422 /nfs/dbraw/zinc/35/44/22/450354422.db2.gz VJCJQHRDMUEMCO-MRXNPFEDSA-N 2 0 339.505 1.758 20 0 EDADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000623618142 450552250 /nfs/dbraw/zinc/55/22/50/450552250.db2.gz FTTUQEOBIYMPFT-KRWDZBQOSA-N 2 0 345.422 1.441 20 0 EDADRP CCC1(N2CCOCC2)CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000626089041 450573180 /nfs/dbraw/zinc/57/31/80/450573180.db2.gz YJRFZHODKPJUKN-HDICACEKSA-N 2 0 337.508 1.426 20 0 EDADRP C[NH+](C)CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635068841 450620445 /nfs/dbraw/zinc/62/04/45/450620445.db2.gz MBNYXVOYIHMRKH-UYAOXDASSA-N 2 0 345.487 1.593 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000627311165 450639464 /nfs/dbraw/zinc/63/94/64/450639464.db2.gz OSULSRUJFOFKJG-DLBZAZTESA-N 2 0 346.475 1.011 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000633042067 450640324 /nfs/dbraw/zinc/64/03/24/450640324.db2.gz QLTMBPHEEBSICJ-ZBFHGGJFSA-N 2 0 344.459 1.212 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000635137951 450683188 /nfs/dbraw/zinc/68/31/88/450683188.db2.gz FEEBATGBBSFWPR-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000624064651 450693317 /nfs/dbraw/zinc/69/33/17/450693317.db2.gz NDXQDNIXBUUIMP-ZWKOTPCHSA-N 2 0 333.476 1.416 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000631709172 450725730 /nfs/dbraw/zinc/72/57/30/450725730.db2.gz JSUPGDGPEBKWSC-AWEZNQCLSA-N 2 0 343.493 1.217 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000629547901 450730685 /nfs/dbraw/zinc/73/06/85/450730685.db2.gz WFMBXXYNZVRNIF-SFHVURJKSA-N 2 0 342.487 1.749 20 0 EDADRP Nc1ncccc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629553466 450731916 /nfs/dbraw/zinc/73/19/16/450731916.db2.gz WCLGOULBFDAFDH-AWEZNQCLSA-N 2 0 341.463 1.176 20 0 EDADRP CCO[C@H](C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000629553714 450733688 /nfs/dbraw/zinc/73/36/88/450733688.db2.gz XCCKYYSEQDKBHQ-SJLPKXTDSA-N 2 0 347.507 1.814 20 0 EDADRP CCN(CC[NH3+])CC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000629557925 450734579 /nfs/dbraw/zinc/73/45/79/450734579.db2.gz KAJNTHUGTDDCJI-UHFFFAOYSA-N 2 0 348.491 1.010 20 0 EDADRP COc1ccccc1N1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629559416 450736563 /nfs/dbraw/zinc/73/65/63/450736563.db2.gz QTQCKBHUXZTKTI-IAGOWNOFSA-N 2 0 333.476 1.568 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000629568701 450740973 /nfs/dbraw/zinc/74/09/73/450740973.db2.gz LGRXMQHJBPRIKO-UHFFFAOYSA-N 2 0 331.819 1.976 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629578285 450745861 /nfs/dbraw/zinc/74/58/61/450745861.db2.gz AOZUDSBVIQHYIZ-CHWSQXEVSA-N 2 0 327.856 1.813 20 0 EDADRP COc1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(Cl)c1OC ZINC000629580274 450747556 /nfs/dbraw/zinc/74/75/56/450747556.db2.gz PFAJPUBSYRFPHE-CQSZACIVSA-N 2 0 342.867 1.946 20 0 EDADRP COc1ccc(F)c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000621541221 450763539 /nfs/dbraw/zinc/76/35/39/450763539.db2.gz XEOIZFTVEDMGOW-UHFFFAOYSA-N 2 0 340.443 1.469 20 0 EDADRP CC(C)([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C(=O)Nc1ccccc1 ZINC000629650332 450771006 /nfs/dbraw/zinc/77/10/06/450771006.db2.gz RMYGFMYHKGLUGR-CQSZACIVSA-N 2 0 332.448 1.191 20 0 EDADRP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000631877672 450840906 /nfs/dbraw/zinc/84/09/06/450840906.db2.gz FWHBOJQTFIBNNU-SFHVURJKSA-N 2 0 343.471 1.710 20 0 EDADRP Cc1cn2c(n1)C[C@H](C(=O)N1CC[N@@H+](CC(C)(C)O)C[C@H]1C)CC2 ZINC000626582599 450810866 /nfs/dbraw/zinc/81/08/66/450810866.db2.gz GPVRNMLYIVMUOK-HUUCEWRRSA-N 2 0 334.464 1.058 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000629800703 450825738 /nfs/dbraw/zinc/82/57/38/450825738.db2.gz YXGJGCRXKZEZFN-UHFFFAOYSA-N 2 0 340.512 1.154 20 0 EDADRP CC[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+](CC)CC ZINC000627739798 450909629 /nfs/dbraw/zinc/90/96/29/450909629.db2.gz RDYAIHZYJOGKFP-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629954939 450913194 /nfs/dbraw/zinc/91/31/94/450913194.db2.gz VHFPAGIPMBLUPY-IRXDYDNUSA-N 2 0 336.524 1.488 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC1 ZINC000624620200 450926911 /nfs/dbraw/zinc/92/69/11/450926911.db2.gz XTYKYFMOMXNAKJ-RBUKOAKNSA-N 2 0 345.487 1.513 20 0 EDADRP O=C(N1CCC[N@H+](C[C@@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635443924 450945858 /nfs/dbraw/zinc/94/58/58/450945858.db2.gz MIARQDQWUQBVPU-KRWDZBQOSA-N 2 0 335.492 1.576 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000626888754 450985330 /nfs/dbraw/zinc/98/53/30/450985330.db2.gz XMHDFAUFXKZIOL-WMLDXEAASA-N 2 0 346.475 1.724 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000626916878 451002332 /nfs/dbraw/zinc/00/23/32/451002332.db2.gz RMYPEVRXOKFNLU-QGZVFWFLSA-N 2 0 334.464 1.359 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626918610 451003537 /nfs/dbraw/zinc/00/35/37/451003537.db2.gz FGLYHLKXLAXLHX-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000626922208 451006686 /nfs/dbraw/zinc/00/66/86/451006686.db2.gz QUPMFDVAJFHQHI-IAGOWNOFSA-N 2 0 334.464 1.357 20 0 EDADRP CCN(CC[NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000626931306 451013855 /nfs/dbraw/zinc/01/38/55/451013855.db2.gz AZBVPORFXKLVBQ-HZPDHXFCSA-N 2 0 348.491 1.786 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000626933704 451016324 /nfs/dbraw/zinc/01/63/24/451016324.db2.gz NYUCFXFBZUCQKO-QGZVFWFLSA-N 2 0 342.528 1.620 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[C@@H]1C(F)(F)F ZINC000626939871 451021277 /nfs/dbraw/zinc/02/12/77/451021277.db2.gz DPLJUWVESALEGF-RQJABVFESA-N 2 0 348.413 1.782 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626971927 451042388 /nfs/dbraw/zinc/04/23/88/451042388.db2.gz UWJHZUWAMMJRNN-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000633865061 451052350 /nfs/dbraw/zinc/05/23/50/451052350.db2.gz BHARWPJTAUKPST-CVEARBPZSA-N 2 0 339.528 1.183 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635559190 451058462 /nfs/dbraw/zinc/05/84/62/451058462.db2.gz GOMVSFKIULEKCX-GOSISDBHSA-N 2 0 336.524 1.488 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000624946532 451074602 /nfs/dbraw/zinc/07/46/02/451074602.db2.gz XONVBVNTGYFFDH-YESZJQIVSA-N 2 0 338.496 1.148 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC2=CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000627089330 451119196 /nfs/dbraw/zinc/11/91/96/451119196.db2.gz IYXVFYQZBRQTKF-OLZOCXBDSA-N 2 0 334.386 1.465 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632216868 451122354 /nfs/dbraw/zinc/12/23/54/451122354.db2.gz OEYPZRATDOADKU-DOTOQJQBSA-N 2 0 339.505 1.378 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000627106556 451125779 /nfs/dbraw/zinc/12/57/79/451125779.db2.gz JHHBLMNERCPBHY-HUUCEWRRSA-N 2 0 326.485 1.399 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000627109570 451127040 /nfs/dbraw/zinc/12/70/40/451127040.db2.gz XOUKQFRMPJKVIL-KGLIPLIRSA-N 2 0 344.381 1.814 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000628126657 451148811 /nfs/dbraw/zinc/14/88/11/451148811.db2.gz ASFQLDQTLGHHKR-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC3(CCSCC3)CC2)C1=O ZINC000630383438 451158258 /nfs/dbraw/zinc/15/82/58/451158258.db2.gz MPXYSUHLHYHKQT-CQSZACIVSA-N 2 0 339.505 1.285 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627214676 451191401 /nfs/dbraw/zinc/19/14/01/451191401.db2.gz WKLGCZRVJJKRSI-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627216551 451191774 /nfs/dbraw/zinc/19/17/74/451191774.db2.gz SIRPNEMLBKHGKD-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)S(=O)(=O)CCC[NH+](C)C ZINC000632334983 451205607 /nfs/dbraw/zinc/20/56/07/451205607.db2.gz BHLIKCHAVKLUOU-UHFFFAOYSA-N 2 0 331.482 1.315 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCC[C@H]2CO)C1 ZINC000635784111 451237630 /nfs/dbraw/zinc/23/76/30/451237630.db2.gz AQPLCACTSKDBLG-APWZRJJASA-N 2 0 345.487 1.601 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000635787689 451240334 /nfs/dbraw/zinc/24/03/34/451240334.db2.gz YDGMEZDCZIETJY-YJBOKZPZSA-N 2 0 331.460 1.211 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638118841 451285977 /nfs/dbraw/zinc/28/59/77/451285977.db2.gz DTIMZTWKMRSDIK-WMLDXEAASA-N 2 0 339.443 1.576 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000640320533 451247526 /nfs/dbraw/zinc/24/75/26/451247526.db2.gz STTRGMCQZPGAGK-LJQANCHMSA-N 2 0 345.487 1.859 20 0 EDADRP C[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[NH2+]CCO1 ZINC000638117654 451286371 /nfs/dbraw/zinc/28/63/71/451286371.db2.gz SJFHRAVNPCWLAA-MRXNPFEDSA-N 2 0 341.521 1.233 20 0 EDADRP COc1ccc(CN2CC[C@@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000635818565 451267313 /nfs/dbraw/zinc/26/73/13/451267313.db2.gz HGVNUXPMRHJLHU-KZNAEPCWSA-N 2 0 331.460 1.868 20 0 EDADRP c1c(C[C@@H]2CC[NH2+]C2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000630596309 451269370 /nfs/dbraw/zinc/26/93/70/451269370.db2.gz NRHYIHZDNGUFET-ZWKOTPCHSA-N 2 0 325.460 1.952 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000638111109 451277603 /nfs/dbraw/zinc/27/76/03/451277603.db2.gz BZTCDHGPOUWRAE-FUHWJXTLSA-N 2 0 335.448 1.723 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638110824 451278370 /nfs/dbraw/zinc/27/83/70/451278370.db2.gz IRRRSZFFHUHJRK-UYAOXDASSA-N 2 0 345.487 1.722 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])ccc1OCC[NH+]1CCCC1 ZINC000638119310 451287733 /nfs/dbraw/zinc/28/77/33/451287733.db2.gz ONHYSNHFCFBDPX-DOTOQJQBSA-N 2 0 333.432 1.524 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@H](C)C1 ZINC000638120931 451290134 /nfs/dbraw/zinc/29/01/34/451290134.db2.gz AZBOWWYCGHDRDS-OLMNPRSZSA-N 2 0 333.476 1.754 20 0 EDADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(F)c1 ZINC000640419493 451303966 /nfs/dbraw/zinc/30/39/66/451303966.db2.gz JWWHQIQAEMYGIR-UHFFFAOYSA-N 2 0 326.416 1.791 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)C[N@H+](C)CCc2ccccc2)C1 ZINC000635862298 451308040 /nfs/dbraw/zinc/30/80/40/451308040.db2.gz UXEAFTJROLHFQA-IBGZPJMESA-N 2 0 333.476 1.076 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000636588075 451329040 /nfs/dbraw/zinc/32/90/40/451329040.db2.gz RUTXKUKFGGAHRE-ZWKOTPCHSA-N 2 0 346.475 1.017 20 0 EDADRP [NH3+]C1(CC(=O)N[C@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000638196311 451349836 /nfs/dbraw/zinc/34/98/36/451349836.db2.gz YJHXJDMHCVMDAH-SFHVURJKSA-N 2 0 344.503 1.628 20 0 EDADRP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000638229834 451370654 /nfs/dbraw/zinc/37/06/54/451370654.db2.gz QSUQAWGQFHQHHG-RTBURBONSA-N 2 0 342.487 1.015 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)c1cnc(C[NH3+])nc1 ZINC000638274744 451393598 /nfs/dbraw/zinc/39/35/98/451393598.db2.gz GQBFHFUACVQYRI-UHFFFAOYSA-N 2 0 349.385 1.418 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000638337439 451440920 /nfs/dbraw/zinc/44/09/20/451440920.db2.gz GWEFPDIXBCRXRA-GOSISDBHSA-N 2 0 349.475 1.144 20 0 EDADRP O[C@]1(C[NH2+]CCCC[NH+]2CCOCC2)CCN(Cc2ccccc2)C1 ZINC000634642721 451435933 /nfs/dbraw/zinc/43/59/33/451435933.db2.gz PKTRYBTUHSFCRO-FQEVSTJZSA-N 2 0 347.503 1.325 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634643105 451436125 /nfs/dbraw/zinc/43/61/25/451436125.db2.gz WJBPJIBHWMIOOU-ICSRJNTNSA-N 2 0 331.504 1.945 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638405965 451493763 /nfs/dbraw/zinc/49/37/63/451493763.db2.gz HTDBCVZNMUWMSB-MSOLQXFVSA-N 2 0 333.476 1.633 20 0 EDADRP C[C@@H](CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[N@H+](C)C1CC1 ZINC000636729701 451450979 /nfs/dbraw/zinc/45/09/79/451450979.db2.gz BOGSTTDFMXQPBF-ZDUSSCGKSA-N 2 0 334.468 1.754 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000638353782 451456218 /nfs/dbraw/zinc/45/62/18/451456218.db2.gz TUDSRXKHQPYIBN-INIZCTEOSA-N 2 0 337.508 1.581 20 0 EDADRP CC[N@H+](CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)C1CCCCC1 ZINC000638384906 451478368 /nfs/dbraw/zinc/47/83/68/451478368.db2.gz DWEVWYKJASISRV-SJLPKXTDSA-N 2 0 325.497 1.914 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638398524 451487936 /nfs/dbraw/zinc/48/79/36/451487936.db2.gz UXVROOWBBOAXLO-AEFFLSMTSA-N 2 0 344.503 1.708 20 0 EDADRP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711238 451491570 /nfs/dbraw/zinc/49/15/70/451491570.db2.gz LRLFHDGWTBHDQV-AQNXPRMDSA-N 2 0 348.487 1.255 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C1(C[NH+](C)C)CC1 ZINC000636024563 451446698 /nfs/dbraw/zinc/44/66/98/451446698.db2.gz UECPDODKXBTUJC-UHFFFAOYSA-N 2 0 335.448 1.916 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634765537 451533676 /nfs/dbraw/zinc/53/36/76/451533676.db2.gz VQIIYNUNXOTKOP-BHYGNILZSA-N 2 0 333.476 1.813 20 0 EDADRP COc1cc(F)cc(OC)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000631035347 451544823 /nfs/dbraw/zinc/54/48/23/451544823.db2.gz GUBJNXIDWQRKLM-UHFFFAOYSA-N 2 0 325.428 1.570 20 0 EDADRP CC(C)[C@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000638514870 451553816 /nfs/dbraw/zinc/55/38/16/451553816.db2.gz XFULXRCPHLPLNN-LJQANCHMSA-N 2 0 344.503 1.261 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638577253 451586441 /nfs/dbraw/zinc/58/64/41/451586441.db2.gz WZHPOABKBOYWLW-WDEREUQCSA-N 2 0 342.394 1.011 20 0 EDADRP [NH3+]CC1(NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCOCC1 ZINC000638635126 451623500 /nfs/dbraw/zinc/62/35/00/451623500.db2.gz ZZWURJOYNXRIOX-UHFFFAOYSA-N 2 0 326.400 1.485 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000638783235 451690118 /nfs/dbraw/zinc/69/01/18/451690118.db2.gz ILKOWAAZYFFMPH-ZWKOTPCHSA-N 2 0 331.460 1.612 20 0 EDADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638786892 451691981 /nfs/dbraw/zinc/69/19/81/451691981.db2.gz RNXMVEJGRIVKTP-HNNXBMFYSA-N 2 0 349.500 1.625 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CC1(F)F ZINC000638799780 451694669 /nfs/dbraw/zinc/69/46/69/451694669.db2.gz PRXMEZHRXNWDET-IMJJTQAJSA-N 2 0 339.430 1.909 20 0 EDADRP C[N@H+]1CC=C(C[NH2+]Cc2cnn3cc(Br)cnc23)CC1 ZINC000638838067 451706496 /nfs/dbraw/zinc/70/64/96/451706496.db2.gz CLPPOTLBCFTMEJ-UHFFFAOYSA-N 2 0 336.237 1.843 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000636442782 451709793 /nfs/dbraw/zinc/70/97/93/451709793.db2.gz TXEYYLSZHJGEIL-MSOLQXFVSA-N 2 0 346.475 1.189 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000638858920 451712958 /nfs/dbraw/zinc/71/29/58/451712958.db2.gz GACZHKIPTAXQJN-UHFFFAOYSA-N 2 0 346.479 1.293 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000638728283 451668034 /nfs/dbraw/zinc/66/80/34/451668034.db2.gz MJIPULPMDFHTQQ-ZWKOTPCHSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638931971 451738640 /nfs/dbraw/zinc/73/86/40/451738640.db2.gz TUPLWDMLUAREIT-DOTOQJQBSA-N 2 0 330.476 1.318 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1OCCc2ccccc21 ZINC000638983788 451746070 /nfs/dbraw/zinc/74/60/70/451746070.db2.gz FRBFMNLCKKTRJN-GOSISDBHSA-N 2 0 338.411 1.744 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)c1cc2c(s1)CC[NH2+]C2 ZINC000638985984 451746421 /nfs/dbraw/zinc/74/64/21/451746421.db2.gz QLRXYYNNUHYESN-UHFFFAOYSA-N 2 0 343.456 1.451 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000638987493 451747922 /nfs/dbraw/zinc/74/79/22/451747922.db2.gz ROADNQPSGHOXOT-KBMXLJTQSA-N 2 0 329.448 1.350 20 0 EDADRP C[C@@H](OC[C@@H]1CCCO1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988058 451748229 /nfs/dbraw/zinc/74/82/29/451748229.db2.gz RKOSRHUNADMPRS-HIFRSBDPSA-N 2 0 334.420 1.014 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644521962 451838844 /nfs/dbraw/zinc/83/88/44/451838844.db2.gz JTTQTMYGAYXDPA-DLBZAZTESA-N 2 0 328.497 1.645 20 0 EDADRP CN(C(=O)N[C@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000641215654 451785073 /nfs/dbraw/zinc/78/50/73/451785073.db2.gz CPWMXSZYGZRENI-ZOBUZTSGSA-N 2 0 337.512 1.066 20 0 EDADRP COc1cc(C[C@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)ccn1 ZINC000639204492 451791496 /nfs/dbraw/zinc/79/14/96/451791496.db2.gz APWMVCLWQIXVAB-INIZCTEOSA-N 2 0 348.491 1.603 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[C@@H]1[NH3+] ZINC000642022815 451807656 /nfs/dbraw/zinc/80/76/56/451807656.db2.gz KIRUFPJLEWMSSY-MVZVEYBKSA-N 2 0 334.508 1.909 20 0 EDADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000649071955 451808565 /nfs/dbraw/zinc/80/85/65/451808565.db2.gz VMRCZZSBMLNGKM-OAHLLOKOSA-N 2 0 338.496 1.219 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@]2(CO)CCc3ccccc32)CC1 ZINC000639291212 451811592 /nfs/dbraw/zinc/81/15/92/451811592.db2.gz WWHBSSAUBDFTIT-HXUWFJFHSA-N 2 0 332.488 1.688 20 0 EDADRP CCC(CC)(CNC(=O)C(=O)NC[C@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000642262633 451848562 /nfs/dbraw/zinc/84/85/62/451848562.db2.gz UGVOWLQGKPAQBS-GJZGRUSLSA-N 2 0 348.491 1.476 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2N2CCCCC2)CC1 ZINC000644616635 451897887 /nfs/dbraw/zinc/89/78/87/451897887.db2.gz IADKJJIAQDZSKD-LJQANCHMSA-N 2 0 346.519 1.375 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(C)c1 ZINC000644562298 451863628 /nfs/dbraw/zinc/86/36/28/451863628.db2.gz IGLBBYNQKLIQJZ-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644563011 451864457 /nfs/dbraw/zinc/86/44/57/451864457.db2.gz MNGKGOCMBDOPMV-PKOBYXMFSA-N 2 0 349.519 1.516 20 0 EDADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1)C(C)C ZINC000644581367 451873560 /nfs/dbraw/zinc/87/35/60/451873560.db2.gz GHOCPGRSLGZRTQ-FGTMMUONSA-N 2 0 329.529 1.555 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000644583802 451878017 /nfs/dbraw/zinc/87/80/17/451878017.db2.gz LVIKILNEECLMEF-OKZBNKHCSA-N 2 0 349.475 1.847 20 0 EDADRP O=C(NC[C@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000637469929 451886764 /nfs/dbraw/zinc/88/67/64/451886764.db2.gz GQKMQPXRSXYOOB-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633573 451907345 /nfs/dbraw/zinc/90/73/45/451907345.db2.gz JNXMGRHPNBAPKS-FQEVSTJZSA-N 2 0 331.504 1.943 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000637505556 451913466 /nfs/dbraw/zinc/91/34/66/451913466.db2.gz CDBYEFIAWVGING-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC[NH+]2CCCCCC2)cnn1C ZINC000649278607 451949794 /nfs/dbraw/zinc/94/97/94/451949794.db2.gz PTBVLMORCQJUBM-MSOLQXFVSA-N 2 0 347.507 1.414 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000649268403 451941376 /nfs/dbraw/zinc/94/13/76/451941376.db2.gz BGGXTAPPTXRPQO-PKOBYXMFSA-N 2 0 333.476 1.954 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1cccc(OC)c1 ZINC000649282841 451956185 /nfs/dbraw/zinc/95/61/85/451956185.db2.gz LJOJPSUXUOYTRU-FUHWJXTLSA-N 2 0 349.475 1.430 20 0 EDADRP COCCC1(C(=O)N2CCC([NH+]3CCCCC3)CC2)CC[NH2+]CC1 ZINC000649286045 451960806 /nfs/dbraw/zinc/96/08/06/451960806.db2.gz NUFPLEHFMSNRES-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649288529 451962386 /nfs/dbraw/zinc/96/23/86/451962386.db2.gz WWEJEZCCIUSBSP-VQIMIIECSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649294777 451970547 /nfs/dbraw/zinc/97/05/47/451970547.db2.gz BAFXLTWBDJXBFX-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP COc1cc(CNC(=O)C[C@H]([NH3+])C(C)C)ccc1OCC[NH+](C)C ZINC000649302053 451977904 /nfs/dbraw/zinc/97/79/04/451977904.db2.gz PPFZGZLLKAIPGF-HNNXBMFYSA-N 2 0 337.464 1.625 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000649311460 451989171 /nfs/dbraw/zinc/98/91/71/451989171.db2.gz RRPJNKBSKZGCTH-BEFAXECRSA-N 2 0 331.460 1.318 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000649318915 451997621 /nfs/dbraw/zinc/99/76/21/451997621.db2.gz VJPCXEWKEKWNAX-UHFFFAOYSA-N 2 0 341.496 1.010 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)cnn1C ZINC000649318905 451998460 /nfs/dbraw/zinc/99/84/60/451998460.db2.gz URCCNVQWFIKPOA-DTDBQYNISA-N 2 0 347.507 1.411 20 0 EDADRP [NH3+][C@H](CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1ccccc1 ZINC000649320981 451999303 /nfs/dbraw/zinc/99/93/03/451999303.db2.gz HJWKDBSRVQUYFV-RCCFBDPRSA-N 2 0 331.460 1.004 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H]2COc3ccccc3O2)CC1 ZINC000639666241 452009603 /nfs/dbraw/zinc/00/96/03/452009603.db2.gz LFUDYBOJNLSXQZ-MRXNPFEDSA-N 2 0 333.476 1.832 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649344429 452024679 /nfs/dbraw/zinc/02/46/79/452024679.db2.gz XNZZRYFSSGEZLF-UONOGXRCSA-N 2 0 333.423 1.191 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000643067083 452030508 /nfs/dbraw/zinc/03/05/08/452030508.db2.gz XQXGEPMSDXVXDB-CGTJXYLNSA-N 2 0 330.476 1.089 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350106 452033190 /nfs/dbraw/zinc/03/31/90/452033190.db2.gz FEMQKWMLUJVDSL-WMZOPIPTSA-N 2 0 330.476 1.748 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000643082764 452036291 /nfs/dbraw/zinc/03/62/91/452036291.db2.gz MVKUOGBFPYUWBG-QZTJIDSGSA-N 2 0 331.460 1.521 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000649357532 452039002 /nfs/dbraw/zinc/03/90/02/452039002.db2.gz PYZOJFBASOJAHI-WMZOPIPTSA-N 2 0 341.459 1.060 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)C1CC[NH2+]CC1 ZINC000647090344 452054544 /nfs/dbraw/zinc/05/45/44/452054544.db2.gz XTQOGSQEGAAISI-JLSDUUJJSA-N 2 0 337.508 1.757 20 0 EDADRP O=C([C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)N1CCC[NH2+]CC1 ZINC000637803878 452089866 /nfs/dbraw/zinc/08/98/66/452089866.db2.gz QFQJRXFHFPHEAI-ICSRJNTNSA-N 2 0 343.471 1.347 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N3CCCC[C@@H]3C[NH3+])ccc2[nH]c1=O ZINC000637817565 452098008 /nfs/dbraw/zinc/09/80/08/452098008.db2.gz VKZXVTMXNAIBMN-CQSZACIVSA-N 2 0 345.447 1.257 20 0 EDADRP [NH3+]CC1(NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCCC1 ZINC000637840608 452111184 /nfs/dbraw/zinc/11/11/84/452111184.db2.gz PJDJIKXDDTWPPC-UHFFFAOYSA-N 2 0 344.503 1.758 20 0 EDADRP C[C@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000637844870 452112950 /nfs/dbraw/zinc/11/29/50/452112950.db2.gz LPTVEBNQCRTHKN-FUHWJXTLSA-N 2 0 344.503 1.566 20 0 EDADRP CC(C)[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[NH2+]1 ZINC000647255484 452146380 /nfs/dbraw/zinc/14/63/80/452146380.db2.gz ASLPPHKSUONKGK-MRXNPFEDSA-N 2 0 325.478 1.367 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645108426 452155229 /nfs/dbraw/zinc/15/52/29/452155229.db2.gz XWTCIWAWDPLRJZ-DJIMGWMZSA-N 2 0 331.464 1.412 20 0 EDADRP CCN1CCC([N@@H+]2CCCN(Cc3cc4n(n3)CCC4)CC2)CC1 ZINC000649632169 452175660 /nfs/dbraw/zinc/17/56/60/452175660.db2.gz ZGDVVQGZXGFFBC-UHFFFAOYSA-N 2 0 331.508 1.821 20 0 EDADRP COC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651937576 452179911 /nfs/dbraw/zinc/17/99/11/452179911.db2.gz PBKDXRORFKTCSK-ZWKOTPCHSA-N 2 0 334.460 1.743 20 0 EDADRP C[C@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000645200818 452207588 /nfs/dbraw/zinc/20/75/88/452207588.db2.gz HWMHSFNXXLUIEQ-WMLDXEAASA-N 2 0 344.507 1.400 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)N1CC[NH2+]CC1 ZINC000647486451 452231224 /nfs/dbraw/zinc/23/12/24/452231224.db2.gz REOLXYBNCQKYLG-GOSISDBHSA-N 2 0 338.455 1.879 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CCC[NH2+]1 ZINC000643474854 452240528 /nfs/dbraw/zinc/24/05/28/452240528.db2.gz FKAHCIKVXVJQLQ-QLFBSQMISA-N 2 0 329.452 1.071 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000647522252 452257493 /nfs/dbraw/zinc/25/74/93/452257493.db2.gz MHLBENITCIYDLE-UXHICEINSA-N 2 0 328.456 1.673 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NCC12CC(C1)C[NH2+]2 ZINC000659430197 452275259 /nfs/dbraw/zinc/27/52/59/452275259.db2.gz DGILMBRTLOVBMS-UHFFFAOYSA-N 2 0 328.460 1.834 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000641800629 452275668 /nfs/dbraw/zinc/27/56/68/452275668.db2.gz CCCDAXZQYYFZSV-CABCVRRESA-N 2 0 325.478 1.164 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[C@H]1F ZINC000659435738 452281516 /nfs/dbraw/zinc/28/15/16/452281516.db2.gz MCYBYFTVZPJAKA-ZACQAIPSSA-N 2 0 334.439 1.904 20 0 EDADRP COc1ccccc1CCNC(=O)CN1[C@@H](C)[C@@H](C)CC[C@H]1C[NH3+] ZINC000641809879 452290573 /nfs/dbraw/zinc/29/05/73/452290573.db2.gz SZWIJDDIYOAOSY-ZOBUZTSGSA-N 2 0 333.476 1.802 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643533978 452298302 /nfs/dbraw/zinc/29/83/02/452298302.db2.gz IWIGYNMPGFRAEG-CZUORRHYSA-N 2 0 337.489 1.730 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000659450881 452299338 /nfs/dbraw/zinc/29/93/38/452299338.db2.gz HAPRZULOAKYPCZ-KRWDZBQOSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)ccc1F ZINC000659456909 452307474 /nfs/dbraw/zinc/30/74/74/452307474.db2.gz TUAGBGDCMUEJQU-HUUCEWRRSA-N 2 0 326.391 1.468 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000659456981 452308572 /nfs/dbraw/zinc/30/85/72/452308572.db2.gz VELKPRBCPUPGOC-KLHDSHLOSA-N 2 0 344.475 1.204 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659463688 452320649 /nfs/dbraw/zinc/32/06/49/452320649.db2.gz ZACPYZYLQFSPHK-MRXNPFEDSA-N 2 0 328.501 1.548 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])[NH+]2CCCC2)cc1 ZINC000638050186 452320882 /nfs/dbraw/zinc/32/08/82/452320882.db2.gz SOAQFQRMOSMHOA-GVDBMIGSSA-N 2 0 333.432 1.065 20 0 EDADRP CCCN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C)C1 ZINC000645343902 452322697 /nfs/dbraw/zinc/32/26/97/452322697.db2.gz SCJSPQIELZOBJR-GOEBONIOSA-N 2 0 328.526 1.549 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000638051132 452323195 /nfs/dbraw/zinc/32/31/95/452323195.db2.gz XNXXLFNWQMRUGS-RDJZCZTQSA-N 2 0 329.444 1.996 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCCOC1 ZINC000638052284 452326397 /nfs/dbraw/zinc/32/63/97/452326397.db2.gz ZHLIOTRCLLFZMZ-RHSMWYFYSA-N 2 0 337.489 1.757 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652129059 452326567 /nfs/dbraw/zinc/32/65/67/452326567.db2.gz UIFMWBKHOVFKKM-BRWVUGGUSA-N 2 0 340.512 1.504 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000638052816 452329716 /nfs/dbraw/zinc/32/97/16/452329716.db2.gz BEVLLSYITMTSMM-MJGOQNOKSA-N 2 0 331.460 1.666 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000638059660 452350524 /nfs/dbraw/zinc/35/05/24/452350524.db2.gz VESZUSBIHBXMEO-MSOLQXFVSA-N 2 0 349.475 1.038 20 0 EDADRP CC[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000638067134 452369391 /nfs/dbraw/zinc/36/93/91/452369391.db2.gz AQBYFESFIDCCHD-PKOBYXMFSA-N 2 0 331.460 1.318 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000659513417 452378850 /nfs/dbraw/zinc/37/88/50/452378850.db2.gz YQYMABQAMBPWEQ-INIZCTEOSA-N 2 0 338.496 1.176 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659518008 452381865 /nfs/dbraw/zinc/38/18/65/452381865.db2.gz VPCGUUNQNLUUNH-MRXNPFEDSA-N 2 0 326.485 1.160 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000638079195 452393288 /nfs/dbraw/zinc/39/32/88/452393288.db2.gz COOKLBLJPSJLDV-LJQANCHMSA-N 2 0 341.455 1.813 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000659535748 452395714 /nfs/dbraw/zinc/39/57/14/452395714.db2.gz KSDYEDBIFSGZBM-SFHVURJKSA-N 2 0 345.491 1.735 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652208589 452405216 /nfs/dbraw/zinc/40/52/16/452405216.db2.gz IWXBIJQUUXYRTB-JJXSEGSLSA-N 2 0 326.485 1.288 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659580205 452435032 /nfs/dbraw/zinc/43/50/32/452435032.db2.gz YLZNGXNPSPBPHS-QZTJIDSGSA-N 2 0 328.460 1.693 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659582526 452438123 /nfs/dbraw/zinc/43/81/23/452438123.db2.gz SIJXXYQHWDXWPW-IXPVHAAZSA-N 2 0 326.391 1.317 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659582636 452438588 /nfs/dbraw/zinc/43/85/88/452438588.db2.gz VECOPERXEBSFKJ-LNLFQRSKSA-N 2 0 346.450 1.666 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1COc2ccccc2C1 ZINC000663714152 452450357 /nfs/dbraw/zinc/45/03/57/452450357.db2.gz OMMRJRYQIVFFTQ-INIZCTEOSA-N 2 0 334.464 1.173 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1)c1ccccc1 ZINC000661629683 452450323 /nfs/dbraw/zinc/45/03/23/452450323.db2.gz ZZZBWRNZHIZQRM-UYAOXDASSA-N 2 0 345.487 1.642 20 0 EDADRP CC[NH+]1CCN(c2ncnc(N3CC[N@@H+](CC)[C@@H](C)C3)c2C)C[C@H]1C ZINC000663745242 452476681 /nfs/dbraw/zinc/47/66/81/452476681.db2.gz UMUYCJWCPFRFTR-IYBDPMFKSA-N 2 0 346.523 1.846 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313481 452488505 /nfs/dbraw/zinc/48/85/05/452488505.db2.gz XFGWHTPZUWMHFQ-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338205 452508527 /nfs/dbraw/zinc/50/85/27/452508527.db2.gz JPDXKEOCCJGDQP-JSGCOSHPSA-N 2 0 339.402 1.080 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)C1 ZINC000652345959 452518673 /nfs/dbraw/zinc/51/86/73/452518673.db2.gz PYUFGGZWEUQLFX-SQWLQELKSA-N 2 0 337.489 1.583 20 0 EDADRP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000647786152 452520836 /nfs/dbraw/zinc/52/08/36/452520836.db2.gz JDLBWXQGJSTRRQ-OKZBNKHCSA-N 2 0 342.487 1.313 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790437 452521967 /nfs/dbraw/zinc/52/19/67/452521967.db2.gz BMCWETOUWGAYLK-DLBZAZTESA-N 2 0 341.544 1.290 20 0 EDADRP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347265 452522584 /nfs/dbraw/zinc/52/25/84/452522584.db2.gz XFIZOLKFJLSLHY-NXOAAHMSSA-N 2 0 325.497 1.900 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000647789745 452523120 /nfs/dbraw/zinc/52/31/20/452523120.db2.gz KMBXPXWUNLJCQJ-CEXWTWQISA-N 3 0 343.519 1.701 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(F)cc2)C1 ZINC000652360161 452542620 /nfs/dbraw/zinc/54/26/20/452542620.db2.gz BVFPHSIHUINOHU-KURKYZTESA-N 2 0 349.450 1.803 20 0 EDADRP CC(C)(C)CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362131 452543409 /nfs/dbraw/zinc/54/34/09/452543409.db2.gz YPFKEVLJUNIRKZ-BZUAXINKSA-N 2 0 325.497 1.900 20 0 EDADRP C[NH+]1CCN(c2ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)nc2)CC1 ZINC000655741137 452552822 /nfs/dbraw/zinc/55/28/22/452552822.db2.gz FTDFOZSPYZIBGU-SFHVURJKSA-N 2 0 345.491 1.499 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000647832519 452565969 /nfs/dbraw/zinc/56/59/69/452565969.db2.gz APMLYSFRLMUINM-MNEFBYGVSA-N 2 0 345.487 1.735 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3COC4(CCC4)C3)CC2)nc1 ZINC000657871612 452582149 /nfs/dbraw/zinc/58/21/49/452582149.db2.gz VRLWLTSOPOJMJC-QGZVFWFLSA-N 2 0 345.491 1.680 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657874213 452584723 /nfs/dbraw/zinc/58/47/23/452584723.db2.gz YKDHNNWHSVDMEI-GOSISDBHSA-N 2 0 327.513 1.435 20 0 EDADRP COCCC[N@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000647873535 452612734 /nfs/dbraw/zinc/61/27/34/452612734.db2.gz WXGINCLXFGONCA-MRXNPFEDSA-N 2 0 332.510 1.292 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000645621464 452617323 /nfs/dbraw/zinc/61/73/23/452617323.db2.gz FYWUHXQHFZSMNE-DOTOQJQBSA-N 2 0 344.459 1.158 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666148156 452640742 /nfs/dbraw/zinc/64/07/42/452640742.db2.gz WNJUMAWRAWGWQU-UHFFFAOYSA-N 2 0 347.507 1.933 20 0 EDADRP C[C@@H]1CN(c2cnc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)cn2)C[C@H](C)[NH+]1C ZINC000663941219 452661303 /nfs/dbraw/zinc/66/13/03/452661303.db2.gz IDTPJHFGPGSCPO-GEEKYZPCSA-N 2 0 332.496 1.534 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655911705 452668702 /nfs/dbraw/zinc/66/87/02/452668702.db2.gz LWPMGUHUOJOULV-JHJVBQTASA-N 2 0 338.418 1.933 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655913755 452671964 /nfs/dbraw/zinc/67/19/64/452671964.db2.gz INJSLDJXUGNEGS-CMPLNLGQSA-N 2 0 336.358 1.851 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000655915146 452675518 /nfs/dbraw/zinc/67/55/18/452675518.db2.gz ROXARRWWEHNKGT-FZMZJTMJSA-N 2 0 344.381 1.622 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000655940755 452710788 /nfs/dbraw/zinc/71/07/88/452710788.db2.gz WXKGNIYVMVNKKW-IAGOWNOFSA-N 2 0 329.448 1.110 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134647 452746560 /nfs/dbraw/zinc/74/65/60/452746560.db2.gz BBFOKLZIPYXCSN-BEFAXECRSA-N 2 0 326.444 1.764 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000652607766 452767690 /nfs/dbraw/zinc/76/76/90/452767690.db2.gz ZJVGLLKXWIUFCC-UHFFFAOYSA-N 2 0 330.436 1.486 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@H]1CNc2ccnn2C1 ZINC000648035016 452771786 /nfs/dbraw/zinc/77/17/86/452771786.db2.gz OWPLOLKHVNTZTQ-SJORKVTESA-N 2 0 334.512 1.273 20 0 EDADRP Cc1cnc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000654670667 452783888 /nfs/dbraw/zinc/78/38/88/452783888.db2.gz ONBYGUCJAOJXOU-UHFFFAOYSA-N 2 0 335.496 1.376 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000664110214 452796614 /nfs/dbraw/zinc/79/66/14/452796614.db2.gz UQOPOKFPPDIQKY-PVAVHDDUSA-N 2 0 348.491 1.432 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)cn1 ZINC000645803431 452802633 /nfs/dbraw/zinc/80/26/33/452802633.db2.gz ZYCRRCDDIQPMCW-GOSISDBHSA-N 2 0 327.432 1.315 20 0 EDADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648115754 452833460 /nfs/dbraw/zinc/83/34/60/452833460.db2.gz XDIYKIDWOQIHLZ-YTQUADARSA-N 2 0 342.487 1.655 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000652696353 452843978 /nfs/dbraw/zinc/84/39/78/452843978.db2.gz KKVWJHPMUHXGAZ-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)[C@H]2C1 ZINC000648175715 452887658 /nfs/dbraw/zinc/88/76/58/452887658.db2.gz OMMHVJGBQIOKES-ROUUACIJSA-N 2 0 343.471 1.239 20 0 EDADRP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)[C@H]1C[NH2+]CCC1(F)F ZINC000648177310 452889922 /nfs/dbraw/zinc/88/99/22/452889922.db2.gz RYQPHICXWFWSJR-SNVBAGLBSA-N 2 0 330.404 1.793 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])c3cccc(Cl)c3)C2)nn1 ZINC000648177633 452890493 /nfs/dbraw/zinc/89/04/93/452890493.db2.gz KZJGLQGLWDXEAJ-HUUCEWRRSA-N 2 0 348.838 1.254 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[N@@H+]1C ZINC000648178165 452891462 /nfs/dbraw/zinc/89/14/62/452891462.db2.gz XEAHJJKCBYFWRB-SJLPKXTDSA-N 3 0 344.503 1.436 20 0 EDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)nn(C)c1N1CCOCC1 ZINC000650718723 452950263 /nfs/dbraw/zinc/95/02/63/452950263.db2.gz UZKDNBAYDSWQPT-UHFFFAOYSA-N 2 0 343.475 1.574 20 0 EDADRP CN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](Cc2ccccc2)C1 ZINC000650720267 452950495 /nfs/dbraw/zinc/95/04/95/452950495.db2.gz KDPVPSIERFPWIW-OALUTQOASA-N 2 0 344.503 1.042 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCC1(C[NH3+])CC1 ZINC000650747350 452967763 /nfs/dbraw/zinc/96/77/63/452967763.db2.gz XZTGOHMLBMYEPR-CYBMUJFWSA-N 2 0 325.478 1.730 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666610305 453009036 /nfs/dbraw/zinc/00/90/36/453009036.db2.gz VAUSHQJBJIVPDW-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP CC(C)(C)n1nnc(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000662284564 453009478 /nfs/dbraw/zinc/00/94/78/453009478.db2.gz NLQJCNHSTUMOGG-RRFJBIMHSA-N 2 0 336.484 1.331 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000662291117 453014833 /nfs/dbraw/zinc/01/48/33/453014833.db2.gz BITMBLRSJIDQFV-CEXWTWQISA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2c3ccccc3CC[C@@H]2C[NH3+])CC1 ZINC000662304494 453025732 /nfs/dbraw/zinc/02/57/32/453025732.db2.gz KQEYHJTZNDWZMJ-GOSISDBHSA-N 2 0 344.503 1.756 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000664371064 453043360 /nfs/dbraw/zinc/04/33/60/453043360.db2.gz OVMDZFZIYODVNK-JKSUJKDBSA-N 2 0 342.528 1.715 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662341508 453058595 /nfs/dbraw/zinc/05/85/95/453058595.db2.gz QRFYENUTEOSHTR-HZPDHXFCSA-N 2 0 339.443 1.491 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]1CCCC1 ZINC000662346477 453062992 /nfs/dbraw/zinc/06/29/92/453062992.db2.gz SAISSLRQWMRJJR-IRXDYDNUSA-N 2 0 349.475 1.701 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000664406105 453067097 /nfs/dbraw/zinc/06/70/97/453067097.db2.gz POYVJWJNDMDNDY-YQQAZPJKSA-N 3 0 339.528 1.040 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000654969064 453088996 /nfs/dbraw/zinc/08/89/96/453088996.db2.gz NMNPAWLVAQGOQZ-QGZVFWFLSA-N 2 0 348.535 1.536 20 0 EDADRP C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000660156861 453090478 /nfs/dbraw/zinc/09/04/78/453090478.db2.gz SCZJMAIVEAJXSA-RHQZKXFESA-N 2 0 348.535 1.392 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662386374 453094145 /nfs/dbraw/zinc/09/41/45/453094145.db2.gz FTSHNZVSDTUAAW-OWCLPIDISA-N 2 0 347.507 1.975 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000662390535 453100787 /nfs/dbraw/zinc/10/07/87/453100787.db2.gz LPDUVJATGZSEKB-IBGZPJMESA-N 2 0 346.519 1.699 20 0 EDADRP [NH3+]C1(CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCC1 ZINC000644198908 453128304 /nfs/dbraw/zinc/12/83/04/453128304.db2.gz BIUJOVIGDFBOEE-DLBZAZTESA-N 2 0 328.460 1.784 20 0 EDADRP CO[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000660231887 453145555 /nfs/dbraw/zinc/14/55/55/453145555.db2.gz FRCRFLJRRNWDIT-RTBURBONSA-N 2 0 340.508 1.862 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660276654 453168802 /nfs/dbraw/zinc/16/88/02/453168802.db2.gz RLWQWPCVQMZFCR-OAHLLOKOSA-N 2 0 331.451 1.760 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646161502 453172477 /nfs/dbraw/zinc/17/24/77/453172477.db2.gz GXGQKYSPQILNAH-OAHLLOKOSA-N 2 0 346.479 1.167 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)N1CCOCC1 ZINC000660297718 453186062 /nfs/dbraw/zinc/18/60/62/453186062.db2.gz OPUMUVUIXLHKHN-JKSUJKDBSA-N 2 0 340.512 1.515 20 0 EDADRP COC1CC[NH+](CCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662492428 453209681 /nfs/dbraw/zinc/20/96/81/453209681.db2.gz KCPVXNNNIOTPSK-KRWDZBQOSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000662524108 453243116 /nfs/dbraw/zinc/24/31/16/453243116.db2.gz SWSPMZQHFHPQGQ-GOEBONIOSA-N 2 0 327.432 1.519 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000664648144 453284632 /nfs/dbraw/zinc/28/46/32/453284632.db2.gz POKBQYXDIFPOTJ-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP CN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666972951 453288400 /nfs/dbraw/zinc/28/84/00/453288400.db2.gz LSXSXOUNYJGQTE-IAGOWNOFSA-N 2 0 336.480 1.118 20 0 EDADRP CC[C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000653110066 453295364 /nfs/dbraw/zinc/29/53/64/453295364.db2.gz WUHRXTWPULNCGO-MSOLQXFVSA-N 2 0 332.492 1.219 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653119196 453309268 /nfs/dbraw/zinc/30/92/68/453309268.db2.gz BCMPDGXBAARQSN-ROUUACIJSA-N 2 0 332.492 1.246 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCC([C@H]3CCC[NH2+]C3)CC2)[nH+]1 ZINC000656608534 453317740 /nfs/dbraw/zinc/31/77/40/453317740.db2.gz KUYZYPYNHKMQBA-AWEZNQCLSA-N 2 0 327.436 1.461 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000648857537 453333287 /nfs/dbraw/zinc/33/32/87/453333287.db2.gz DAIVKUXNNMUFCY-ZTFGCOKTSA-N 2 0 331.460 1.210 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653148569 453335737 /nfs/dbraw/zinc/33/57/37/453335737.db2.gz CXEXFRFGWWQMKO-QZTJIDSGSA-N 2 0 334.508 1.003 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000660486685 453342929 /nfs/dbraw/zinc/34/29/29/453342929.db2.gz MEGULQCVUZNWDL-DZGCQCFKSA-N 2 0 339.446 1.940 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653183779 453373366 /nfs/dbraw/zinc/37/33/66/453373366.db2.gz JPLFGGIYZHTHDK-MLHJIOFPSA-N 2 0 331.460 1.821 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653185099 453375405 /nfs/dbraw/zinc/37/54/05/453375405.db2.gz WKXAUOUPHJLLMS-IDCNUPLLSA-N 2 0 331.460 1.740 20 0 EDADRP CCN(C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000664754918 453375363 /nfs/dbraw/zinc/37/53/63/453375363.db2.gz MPQKUXFGOMDOHI-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662666872 453379587 /nfs/dbraw/zinc/37/95/87/453379587.db2.gz WVNCEQAYCOTXEH-UHFFFAOYSA-N 2 0 334.468 1.199 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662667721 453379713 /nfs/dbraw/zinc/37/97/13/453379713.db2.gz DGXBQPUUENANIC-ZBFHGGJFSA-N 2 0 346.479 1.339 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662680816 453399810 /nfs/dbraw/zinc/39/98/10/453399810.db2.gz ZCWUVBFTRKGLBV-GDBMZVCRSA-N 2 0 333.480 1.727 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cc1 ZINC000667095447 453401404 /nfs/dbraw/zinc/40/14/04/453401404.db2.gz ZFJHIPGCMOUTTA-MRXNPFEDSA-N 2 0 332.448 1.334 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000662692582 453412146 /nfs/dbraw/zinc/41/21/46/453412146.db2.gz PSSYBWQUNFXZAN-OTWHNJEPSA-N 2 0 345.487 1.940 20 0 EDADRP Cc1c(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH3+])nnn1C1CC[NH2+]CC1 ZINC000653232530 453416193 /nfs/dbraw/zinc/41/61/93/453416193.db2.gz DDAHHUSZNHDBBH-WFASDCNBSA-N 2 0 334.468 1.101 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667147329 453439531 /nfs/dbraw/zinc/43/95/31/453439531.db2.gz ZOPCNPRBZMATNG-CZUORRHYSA-N 2 0 330.432 1.169 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000662715429 453439792 /nfs/dbraw/zinc/43/97/92/453439792.db2.gz ITIXVGIRUHICIR-SFHVURJKSA-N 2 0 345.487 1.648 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000662740787 453466274 /nfs/dbraw/zinc/46/62/74/453466274.db2.gz BXTNNGVEAZVMKW-IEBWSBKVSA-N 2 0 344.503 1.309 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743347 453470821 /nfs/dbraw/zinc/47/08/21/453470821.db2.gz YIFJNDDCPCHKKD-MSOLQXFVSA-N 2 0 330.476 1.046 20 0 EDADRP C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C(C)(C)C[NH+](C)C ZINC000662744427 453472865 /nfs/dbraw/zinc/47/28/65/453472865.db2.gz DNHQNQUYJKNCLD-ZIAGYGMSSA-N 2 0 336.484 1.299 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662750862 453485239 /nfs/dbraw/zinc/48/52/39/453485239.db2.gz UYZIQLOMYBXCNF-KBAYOESNSA-N 2 0 331.460 1.473 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c(C)c2)CC1 ZINC000662754555 453492446 /nfs/dbraw/zinc/49/24/46/453492446.db2.gz QOARMWDFXFVUPK-WMZOPIPTSA-N 2 0 346.475 1.439 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662766124 453503034 /nfs/dbraw/zinc/50/30/34/453503034.db2.gz LJGBQVDNOAOQFG-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C3([NH2+]C4CC4)CCC3)CC2)CC1 ZINC000662788192 453522190 /nfs/dbraw/zinc/52/21/90/453522190.db2.gz KNEPHWWGTPZWSC-UHFFFAOYSA-N 2 0 334.508 1.147 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662816847 453548610 /nfs/dbraw/zinc/54/86/10/453548610.db2.gz QDVNIJLNESISKG-APWZRJJASA-N 2 0 343.471 1.691 20 0 EDADRP CCC[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)CC[N@@H+]1CCOC ZINC000662825964 453553547 /nfs/dbraw/zinc/55/35/47/453553547.db2.gz PNASEBAABBGNTL-QGZVFWFLSA-N 2 0 345.487 1.905 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662831822 453556954 /nfs/dbraw/zinc/55/69/54/453556954.db2.gz CLWCTGWEOLTEPY-RTBURBONSA-N 2 0 343.471 1.414 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1([NH2+]C2CC2)CCC1 ZINC000662847226 453569695 /nfs/dbraw/zinc/56/96/95/453569695.db2.gz XTYZSOKZBYDVGL-UHFFFAOYSA-N 2 0 335.492 1.668 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662860517 453574797 /nfs/dbraw/zinc/57/47/97/453574797.db2.gz SCQHQRIIYCHPIE-ZWKOTPCHSA-N 2 0 331.460 1.259 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000662867970 453580308 /nfs/dbraw/zinc/58/03/08/453580308.db2.gz TWWPUEDJEXFZEJ-IRXDYDNUSA-N 2 0 335.423 1.156 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000662874946 453583693 /nfs/dbraw/zinc/58/36/93/453583693.db2.gz FINAXURETRNIOF-UHFFFAOYSA-N 2 0 342.487 1.780 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660854574 453612308 /nfs/dbraw/zinc/61/23/08/453612308.db2.gz ZIFYMDSOSSNYPD-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240856 453621041 /nfs/dbraw/zinc/62/10/41/453621041.db2.gz ULJGFERAHQFCSK-MNEFBYGVSA-N 2 0 333.476 1.110 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000665255037 453627328 /nfs/dbraw/zinc/62/73/28/453627328.db2.gz HINPMGAAKVRLDW-BEKAIBRUSA-N 2 0 347.503 1.887 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282886 453633927 /nfs/dbraw/zinc/63/39/27/453633927.db2.gz DLBAFDJXNSBASN-FRYIKTPZSA-N 2 0 346.519 1.145 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)c1 ZINC000659102515 453634941 /nfs/dbraw/zinc/63/49/41/453634941.db2.gz YUEWTXLNXKJFSY-UHFFFAOYSA-N 2 0 344.459 1.417 20 0 EDADRP COc1ccc([C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)[C@@H]2CCC[NH2+]2)cc1 ZINC000665293896 453640523 /nfs/dbraw/zinc/64/05/23/453640523.db2.gz DYRNOEKXKBSVAQ-MAUKXSAKSA-N 2 0 343.431 1.232 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661036118 453689051 /nfs/dbraw/zinc/68/90/51/453689051.db2.gz DZRPKKNFZNOQGR-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000659284671 453700052 /nfs/dbraw/zinc/70/00/52/453700052.db2.gz KKMZYGHMGDAEHQ-SFHVURJKSA-N 2 0 329.444 1.544 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])COC(C)C)c(C)c2)CC1 ZINC000659290275 453704062 /nfs/dbraw/zinc/70/40/62/453704062.db2.gz KBYJTKOJSWSHKA-KRWDZBQOSA-N 2 0 348.491 1.828 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[NH2+]C2CC2)cc1F ZINC000659356609 453726648 /nfs/dbraw/zinc/72/66/48/453726648.db2.gz JXQYSICZIXIEOH-HOCLYGCPSA-N 2 0 335.423 1.538 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCO[C@](C)(C2CC2)C1)c1ccccc1 ZINC000661170020 453744645 /nfs/dbraw/zinc/74/46/45/453744645.db2.gz WIKCSLZQNGBCPK-QUCCMNQESA-N 2 0 345.487 1.906 20 0 EDADRP CCn1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000663512534 453813352 /nfs/dbraw/zinc/81/33/52/453813352.db2.gz OEMPZOUCSOVKJM-MRXNPFEDSA-N 2 0 343.479 1.415 20 0 EDADRP C[C@H]([NH2+]CCNc1ccc(-c2ccccc2)nn1)[C@@H]1CCC[NH2+]C1 ZINC000515164892 486700311 /nfs/dbraw/zinc/70/03/11/486700311.db2.gz XTVYNMFANFZXKW-DOTOQJQBSA-N 2 0 325.460 2.533 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674327202 486731040 /nfs/dbraw/zinc/73/10/40/486731040.db2.gz AAOKCXLSSCYAET-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(=O)NC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676413874 486762758 /nfs/dbraw/zinc/76/27/58/486762758.db2.gz JXMCIEAPAOYOCD-GOSISDBHSA-N 2 0 333.476 1.975 20 0 EDADRP CCn1nccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000667408340 486767457 /nfs/dbraw/zinc/76/74/57/486767457.db2.gz QMNJPIIPUAWXPP-QGZVFWFLSA-N 2 0 348.495 1.213 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000680518525 486799719 /nfs/dbraw/zinc/79/97/19/486799719.db2.gz OCGFCLSPNOAJGX-INIZCTEOSA-N 2 0 328.501 1.517 20 0 EDADRP O=C(NC1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1)C1CC1 ZINC000667493770 486809479 /nfs/dbraw/zinc/80/94/79/486809479.db2.gz BOFHYKCTWOUINC-UHFFFAOYSA-N 2 0 325.416 1.758 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417948711 486816053 /nfs/dbraw/zinc/81/60/53/486816053.db2.gz JEHAKXBMEFJWFJ-CABCVRRESA-N 2 0 335.452 1.091 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000418214140 486828224 /nfs/dbraw/zinc/82/82/24/486828224.db2.gz WWGUVLPRAYJGDY-QGZVFWFLSA-N 2 0 336.480 1.937 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000667550674 486840802 /nfs/dbraw/zinc/84/08/02/486840802.db2.gz QXMQQZYDELIZDO-GOEBONIOSA-N 2 0 332.448 1.273 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000684174510 486969375 /nfs/dbraw/zinc/96/93/75/486969375.db2.gz JXXZVBDQAHRTSX-SJLPKXTDSA-N 2 0 325.497 1.412 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)c1 ZINC000667832883 486985883 /nfs/dbraw/zinc/98/58/83/486985883.db2.gz HNFQRSMLCOANLW-MSOLQXFVSA-N 2 0 331.460 1.635 20 0 EDADRP Cc1cccn2c(NC(=O)N3CC[C@H](CN4CCOCC4)C3)cnc12 ZINC000667954852 487031176 /nfs/dbraw/zinc/03/11/76/487031176.db2.gz MBBUNNDRCJFAGH-OAHLLOKOSA-N 2 0 343.431 1.829 20 0 EDADRP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000673519134 487043230 /nfs/dbraw/zinc/04/32/30/487043230.db2.gz YXKZITKFPPWUCI-FHWLQOOXSA-N 2 0 343.471 1.319 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000677303445 487036950 /nfs/dbraw/zinc/03/69/50/487036950.db2.gz DJTWSDMXPSTVDL-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1cn2ccc(NC(=O)NCCN(C)CCC[NH+](C)C)cc2n1 ZINC000668167458 487127002 /nfs/dbraw/zinc/12/70/02/487127002.db2.gz APAMPWFQRBMMSE-UHFFFAOYSA-N 2 0 332.452 1.648 20 0 EDADRP O=S1(=O)CC[C@H](CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000677681117 487148673 /nfs/dbraw/zinc/14/86/73/487148673.db2.gz FGETUSJOLASOIG-KRWDZBQOSA-N 2 0 344.521 1.246 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CN[C@@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000677805545 487172081 /nfs/dbraw/zinc/17/20/81/487172081.db2.gz OGELSJVHRLAFAV-OALUTQOASA-N 2 0 330.520 1.875 20 0 EDADRP OCC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CCO)C2)C1 ZINC000674232636 487219437 /nfs/dbraw/zinc/21/94/37/487219437.db2.gz HNELICSSWJCWHD-ROUUACIJSA-N 2 0 328.497 1.192 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000674328075 487237916 /nfs/dbraw/zinc/23/79/16/487237916.db2.gz JLMHBGDYRPCCDA-HNNXBMFYSA-N 2 0 328.501 1.373 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCC[C@H](C)C1 ZINC000682113664 487305218 /nfs/dbraw/zinc/30/52/18/487305218.db2.gz FCZKCYSYPWAWGH-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]3[C@@H]2C(N)=O)cc1 ZINC000682556145 487388450 /nfs/dbraw/zinc/38/84/50/487388450.db2.gz DVWQGFKPDWKSPK-RYQLBKOJSA-N 2 0 331.460 1.713 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675781791 487443529 /nfs/dbraw/zinc/44/35/29/487443529.db2.gz AVTABGARZJHCKB-INIZCTEOSA-N 2 0 348.491 1.052 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000679764073 487464067 /nfs/dbraw/zinc/46/40/67/487464067.db2.gz RHBPQSDBPNAYIO-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000669562599 485570834 /nfs/dbraw/zinc/57/08/34/485570834.db2.gz VYLRDMQMHYRGJC-GXFFZTMASA-N 2 0 332.370 1.955 20 0 EDADRP CCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H]1CC[N@H+](C)C1 ZINC000669182744 485782702 /nfs/dbraw/zinc/78/27/02/485782702.db2.gz MBYSXYGUQVAJPO-MRXNPFEDSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1cnn(C)c1 ZINC000344486015 485949644 /nfs/dbraw/zinc/94/96/44/485949644.db2.gz CWZXWPGRAFKFNU-BPQIPLTHSA-N 2 0 347.507 1.494 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000346556910 485996957 /nfs/dbraw/zinc/99/69/57/485996957.db2.gz HOYJWVDUJRPMGE-SJORKVTESA-N 2 0 325.497 1.534 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000574987132 486002933 /nfs/dbraw/zinc/00/29/33/486002933.db2.gz HLTSACIZPJFZJI-RISCZKNCSA-N 2 0 326.391 1.706 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000668665691 486016107 /nfs/dbraw/zinc/01/61/07/486016107.db2.gz LNQNSZGJRXDZCU-XIRDDKMYSA-N 2 0 332.448 1.019 20 0 EDADRP O[C@@H]1CC[N@@H+](C2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000668738149 486107030 /nfs/dbraw/zinc/10/70/30/486107030.db2.gz AYPNJENIUJFGOT-GOSISDBHSA-N 2 0 327.432 1.298 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)[NH+](C)C)cc1 ZINC000669419015 486137811 /nfs/dbraw/zinc/13/78/11/486137811.db2.gz XREFKRSZOBNTQE-NJAFHUGGSA-N 2 0 330.476 1.991 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000669426366 486147996 /nfs/dbraw/zinc/14/79/96/486147996.db2.gz ZRKWNDLPLWHKIE-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000669426364 486148367 /nfs/dbraw/zinc/14/83/67/486148367.db2.gz ZRKWNDLPLWHKIE-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@@H](NC(=O)NC/C=C\C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000669443375 486200603 /nfs/dbraw/zinc/20/06/03/486200603.db2.gz PSGPPKPQCXSGIH-VQTKUKTRSA-N 2 0 349.454 1.453 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000669469573 486221121 /nfs/dbraw/zinc/22/11/21/486221121.db2.gz PAULSKDSUFCWBV-AWEZNQCLSA-N 2 0 326.485 1.317 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)C1 ZINC000669474359 486228172 /nfs/dbraw/zinc/22/81/72/486228172.db2.gz GRTXSEUSPJEKPT-ARFHVFGLSA-N 2 0 340.512 1.645 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178841578 486245695 /nfs/dbraw/zinc/24/56/95/486245695.db2.gz GFLBWDHNWGMDPF-SFHVURJKSA-N 2 0 347.503 1.781 20 0 EDADRP CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000132075815 491214777 /nfs/dbraw/zinc/21/47/77/491214777.db2.gz MVPCAYQRDGSRHK-ZDUSSCGKSA-N 2 0 325.478 1.415 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC[C@H]1CCCO1 ZINC000522192898 490995997 /nfs/dbraw/zinc/99/59/97/490995997.db2.gz ZAVUWCGDSUCTRR-DLBZAZTESA-N 2 0 341.496 1.057 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000340050401 517638991 /nfs/dbraw/zinc/63/89/91/517638991.db2.gz BTYFAYLRDVSEQG-HRCADAONSA-N 2 0 333.542 1.614 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3csc(CC[NH3+])n3)cn2)CC1 ZINC000423728883 517948125 /nfs/dbraw/zinc/94/81/25/517948125.db2.gz MEQCXXFUZVAWHA-UHFFFAOYSA-N 2 0 346.460 1.043 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([NH+]3CCC([C@H]4CC[NH2+]C4)CC3)C2=O)n1 ZINC000357108074 518195161 /nfs/dbraw/zinc/19/51/61/518195161.db2.gz SPEYJGUZDSSHQD-JKSUJKDBSA-N 2 0 331.464 1.237 20 0 EDADRP Cc1csc(=O)n1CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173949028 534775058 /nfs/dbraw/zinc/77/50/58/534775058.db2.gz FLIXYEMXQXUUFO-UHFFFAOYSA-N 2 0 339.505 1.795 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188724075 525379520 /nfs/dbraw/zinc/37/95/20/525379520.db2.gz MGKJQAXNNPHHDI-OKILXGFUSA-N 2 0 333.480 1.543 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@@H]2C1 ZINC000353332695 536461585 /nfs/dbraw/zinc/46/15/85/536461585.db2.gz WVNAIZQDCLAOQU-KZNAEPCWSA-N 2 0 334.508 1.987 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000174857901 528251514 /nfs/dbraw/zinc/25/15/14/528251514.db2.gz RXXFLPNVAOHBST-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000165056319 528337013 /nfs/dbraw/zinc/33/70/13/528337013.db2.gz KWUPQIYAJPLISG-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCN(C)C2=O)CC1 ZINC000181641859 529153361 /nfs/dbraw/zinc/15/33/61/529153361.db2.gz YZIIWPKLIQKUEY-YOEHRIQHSA-N 2 0 348.466 1.849 20 0 EDADRP CC[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cnn(C)c1 ZINC000159126258 529187404 /nfs/dbraw/zinc/18/74/04/529187404.db2.gz KCGMMJKDRCWVRL-QGZVFWFLSA-N 2 0 328.464 1.808 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+]1CCOCC1 ZINC000236663854 535103025 /nfs/dbraw/zinc/10/30/25/535103025.db2.gz NBXSTJGWRYOJLS-JKSUJKDBSA-N 2 0 343.537 1.335 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000078560399 535322317 /nfs/dbraw/zinc/32/23/17/535322317.db2.gz ALEPCXCUQFTWGK-IAGOWNOFSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000340042994 535564127 /nfs/dbraw/zinc/56/41/27/535564127.db2.gz KKZWBORFTUZLOS-HOTGVXAUSA-N 2 0 333.542 1.616 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C[C@H](C)[NH3+])CC1 ZINC000261795526 535747142 /nfs/dbraw/zinc/74/71/42/535747142.db2.gz MGHNASAIDYCZTK-KBPBESRZSA-N 2 0 336.455 1.882 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH2+][C@@H](C)C3)c2)CC1 ZINC000333357897 535752445 /nfs/dbraw/zinc/75/24/45/535752445.db2.gz SHUVBFYKMYXZLC-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP CC[C@]1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCC[NH2+]1 ZINC000248742336 535879801 /nfs/dbraw/zinc/87/98/01/535879801.db2.gz RIGXLCYRXQFHKJ-ZHALLVOQSA-N 2 0 336.524 1.536 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)cc1 ZINC000271906023 535889255 /nfs/dbraw/zinc/88/92/55/535889255.db2.gz WQNHXWGSEROLKU-KURKYZTESA-N 2 0 345.487 1.881 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2([NH3+])CCCCC2)cc1 ZINC000262676460 535889411 /nfs/dbraw/zinc/88/94/11/535889411.db2.gz SFDPNQLIAIGRFX-UHFFFAOYSA-N 2 0 346.475 1.256 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(C)(C)[NH3+])CC1 ZINC000263285962 535916426 /nfs/dbraw/zinc/91/64/26/535916426.db2.gz UKVDODUFIZGVRL-UHFFFAOYSA-N 2 0 334.464 1.013 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000236930574 535955062 /nfs/dbraw/zinc/95/50/62/535955062.db2.gz DEUZZVKLDHNKMU-NHYWBVRUSA-N 2 0 334.420 1.468 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000333317588 536347852 /nfs/dbraw/zinc/34/78/52/536347852.db2.gz MMNAPRSIDCGXDE-HNNXBMFYSA-N 2 0 343.475 1.990 20 0 EDADRP COc1cc(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)ccc1SC ZINC000262219694 536744688 /nfs/dbraw/zinc/74/46/88/536744688.db2.gz UKKXDKPQWNPXQJ-UHFFFAOYSA-N 2 0 337.489 1.671 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000759817101 580016120 /nfs/dbraw/zinc/01/61/20/580016120.db2.gz ORMSOCDGZRFDNA-UHFFFAOYSA-N 2 0 344.503 1.787 20 0 EDADRP C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000760476812 580031622 /nfs/dbraw/zinc/03/16/22/580031622.db2.gz JMYPCRRNLVGEHL-HNNXBMFYSA-N 2 0 326.554 1.913 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000734275111 578804359 /nfs/dbraw/zinc/80/43/59/578804359.db2.gz OVUPBJZLMJPZSX-PBHICJAKSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736759126 579018217 /nfs/dbraw/zinc/01/82/17/579018217.db2.gz NHZBZSHSKRDJDF-UHFFFAOYSA-N 2 0 330.436 1.519 20 0 EDADRP C[C@@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000747554068 579648722 /nfs/dbraw/zinc/64/87/22/579648722.db2.gz CTFGGDWVUDRWHH-GJZGRUSLSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2Cn1cnc(-c2ccccn2)n1 ZINC000762499754 580076017 /nfs/dbraw/zinc/07/60/17/580076017.db2.gz AHBADAYVLAXCAH-OIISXLGYSA-N 2 0 342.447 1.481 20 0 EDADRP COc1ccc2c(c1)[nH+]ccc2N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000765469271 580143199 /nfs/dbraw/zinc/14/31/99/580143199.db2.gz RRKFYLDWLMXUBM-UHFFFAOYSA-N 2 0 328.416 1.454 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000774378692 580360847 /nfs/dbraw/zinc/36/08/47/580360847.db2.gz YQSZJTOHIWFYCF-PKOBYXMFSA-N 2 0 335.492 1.444 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000785463511 580645110 /nfs/dbraw/zinc/64/51/10/580645110.db2.gz NPMLHCZZNANPNM-LBPRGKRZSA-N 2 0 345.285 1.509 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892006112 590739231 /nfs/dbraw/zinc/73/92/31/590739231.db2.gz WOTVRRYDXZPNMX-NXHRZFHOSA-N 2 0 330.476 1.806 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)N[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019329 590749784 /nfs/dbraw/zinc/74/97/84/590749784.db2.gz KZLDGVNVOHMMBR-OTWHNJEPSA-N 2 0 342.487 1.854 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000892042647 590767396 /nfs/dbraw/zinc/76/73/96/590767396.db2.gz QVIAEZAXOIRIIU-WMLDXEAASA-N 2 0 346.475 1.664 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000892055934 590776365 /nfs/dbraw/zinc/77/63/65/590776365.db2.gz NHFZOFZEPLHMAE-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000892058266 590777277 /nfs/dbraw/zinc/77/72/77/590777277.db2.gz WJNCYQWLGLSMJY-SFHVURJKSA-N 2 0 340.512 1.376 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892087047 590790311 /nfs/dbraw/zinc/79/03/11/590790311.db2.gz RYRRCENGHBUJRE-QGZVFWFLSA-N 2 0 344.459 1.248 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)COCC2 ZINC000892130290 590815272 /nfs/dbraw/zinc/81/52/72/590815272.db2.gz IVILOFNMIUKAOM-UHFFFAOYSA-N 2 0 348.491 1.570 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000892155255 590826539 /nfs/dbraw/zinc/82/65/39/590826539.db2.gz XWMPCAQHLDXLSH-RYQLBKOJSA-N 2 0 348.466 1.912 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000890878518 590828263 /nfs/dbraw/zinc/82/82/63/590828263.db2.gz CCASGNIXPNGPHP-SJORKVTESA-N 2 0 349.523 1.502 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000892176225 590845851 /nfs/dbraw/zinc/84/58/51/590845851.db2.gz QADQCDCMPGSSEI-LXZKKBNFSA-N 2 0 332.448 1.479 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000892209818 590866689 /nfs/dbraw/zinc/86/66/89/590866689.db2.gz HVGAIXPVYDPBRX-UHFFFAOYSA-N 2 0 345.491 1.067 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000892263286 590895957 /nfs/dbraw/zinc/89/59/57/590895957.db2.gz TXEOWFMMTQDJQG-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909396563 590941507 /nfs/dbraw/zinc/94/15/07/590941507.db2.gz HQWIVFHLCMEQSJ-KRWDZBQOSA-N 2 0 338.540 1.641 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CNc2ccccc21 ZINC000892373981 590998591 /nfs/dbraw/zinc/99/85/91/590998591.db2.gz DVJBAWVLSHSTAA-INIZCTEOSA-N 2 0 347.507 1.721 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000892387554 591005422 /nfs/dbraw/zinc/00/54/22/591005422.db2.gz RHDIPPNCBCDTEJ-HUUCEWRRSA-N 2 0 340.512 1.251 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892471881 591039582 /nfs/dbraw/zinc/03/95/82/591039582.db2.gz VQXZVHWFLXIBHT-UHFFFAOYSA-N 2 0 326.485 1.352 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892478189 591041012 /nfs/dbraw/zinc/04/10/12/591041012.db2.gz JOJHTIZZRCUIHO-IRXDYDNUSA-N 2 0 330.476 1.778 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000892501965 591051667 /nfs/dbraw/zinc/05/16/67/591051667.db2.gz UDIXBFAXYGJVAD-HOCLYGCPSA-N 2 0 326.485 1.255 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1C ZINC000892535438 591063619 /nfs/dbraw/zinc/06/36/19/591063619.db2.gz KWWOOAARWIGHKT-UHFFFAOYSA-N 2 0 333.476 1.897 20 0 EDADRP C[C@@]12CN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892567047 591075337 /nfs/dbraw/zinc/07/53/37/591075337.db2.gz XSOMMMVIRYQXEY-CGBFIWBNSA-N 2 0 342.487 1.887 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000892587382 591082623 /nfs/dbraw/zinc/08/26/23/591082623.db2.gz LWZGIFHFDMGXLE-AVEIZBFRSA-N 2 0 334.508 1.938 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476497 591084825 /nfs/dbraw/zinc/08/48/25/591084825.db2.gz RIFLYUQFLBYQTD-YQVWRLOYSA-N 2 0 330.476 1.882 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000891508530 591098208 /nfs/dbraw/zinc/09/82/08/591098208.db2.gz NNVAQMYRCZKFIG-BZSNNMDCSA-N 2 0 330.476 1.588 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000891544533 591117860 /nfs/dbraw/zinc/11/78/60/591117860.db2.gz WVJRSVNHHCZSML-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891544222 591117992 /nfs/dbraw/zinc/11/79/92/591117992.db2.gz AGTOWQGXLOQFFM-OAHLLOKOSA-N 2 0 326.485 1.176 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000891644939 591165729 /nfs/dbraw/zinc/16/57/29/591165729.db2.gz BTTDQDXYGFCMJM-XQHKEYJVSA-N 2 0 336.402 1.638 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891646396 591166672 /nfs/dbraw/zinc/16/66/72/591166672.db2.gz KNUQCSXAQWGZMO-BZUAXINKSA-N 2 0 338.496 1.317 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892797429 591181476 /nfs/dbraw/zinc/18/14/76/591181476.db2.gz NXYLTJMRRPQDGO-LZQZEXGQSA-N 2 0 342.487 1.969 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000892804925 591187709 /nfs/dbraw/zinc/18/77/09/591187709.db2.gz AOOJBLSCABQAJX-GOSISDBHSA-N 2 0 330.432 1.173 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000891694237 591187908 /nfs/dbraw/zinc/18/79/08/591187908.db2.gz LKOMSPXQDLKAFU-LPMVOBIJSA-N 2 0 336.480 1.030 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000891694176 591187965 /nfs/dbraw/zinc/18/79/65/591187965.db2.gz KAVNVBQXEVHJFF-SJORKVTESA-N 2 0 340.512 1.525 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CCOCCO)c2c1OC(F)(F)O2 ZINC000894146808 591207386 /nfs/dbraw/zinc/20/73/86/591207386.db2.gz XTDPJHCKOSFDKB-UHFFFAOYSA-N 2 0 332.347 1.168 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000894166865 591214434 /nfs/dbraw/zinc/21/44/34/591214434.db2.gz HZGHAWZBNYSKNN-HNNXBMFYSA-N 2 0 339.505 1.896 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccsc2C(=O)OC)CC1 ZINC000892927915 591228088 /nfs/dbraw/zinc/22/80/88/591228088.db2.gz HLPBUDSLZFTMDS-CQSZACIVSA-N 2 0 339.505 1.898 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H]3C[C@@]3(C)Br)C2)CC1 ZINC000892948050 591235672 /nfs/dbraw/zinc/23/56/72/591235672.db2.gz LOJSDMDKENPZRT-KCQAQPDRSA-N 2 0 330.314 1.918 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21 ZINC000894234167 591240109 /nfs/dbraw/zinc/24/01/09/591240109.db2.gz UAMGQDCOJZUEGE-BVBHFADKSA-N 2 0 342.487 1.852 20 0 EDADRP C[NH+]1CC[C@H]1CNc1ncnc2sc(NC[C@H]3CC[N@H+]3C)nc21 ZINC000895769244 591268865 /nfs/dbraw/zinc/26/88/65/591268865.db2.gz PCLPTWYPQZNBNY-WDEREUQCSA-N 2 0 333.465 1.318 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1(F)F ZINC000894332731 591281304 /nfs/dbraw/zinc/28/13/04/591281304.db2.gz QNZZTPVEANNPCE-AJNGGQMLSA-N 2 0 346.418 1.398 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894385861 591297488 /nfs/dbraw/zinc/29/74/88/591297488.db2.gz VXGBBACXVORZPR-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000895900328 591299924 /nfs/dbraw/zinc/29/99/24/591299924.db2.gz FGFOGHHIQJODRZ-ZWKOTPCHSA-N 2 0 334.508 1.987 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000895991648 591316101 /nfs/dbraw/zinc/31/61/01/591316101.db2.gz XZLCWDDDTZZEKG-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H](NC(=O)C1C[NH+]([C@H]2CCOC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000897419563 591379231 /nfs/dbraw/zinc/37/92/31/591379231.db2.gz DBDULNWXICFCNN-WBAXXEDZSA-N 2 0 331.460 1.515 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898609349 591436807 /nfs/dbraw/zinc/43/68/07/591436807.db2.gz UPFUVSSCFHPFCQ-UHFFFAOYSA-N 2 0 328.460 1.913 20 0 EDADRP CC(=O)OC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000894937982 591488429 /nfs/dbraw/zinc/48/84/29/591488429.db2.gz VGGOILKSUVRTBQ-AWEZNQCLSA-N 2 0 347.459 1.425 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)[C@@H]2C[N@H+](C)CCN2C)o1 ZINC000896570446 591531114 /nfs/dbraw/zinc/53/11/14/591531114.db2.gz YNMURTKFWWKCMR-ZBFHGGJFSA-N 2 0 336.480 1.486 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCO1 ZINC000897558533 591554257 /nfs/dbraw/zinc/55/42/57/591554257.db2.gz JEPIGCDCSWJIMI-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000896940011 591689572 /nfs/dbraw/zinc/68/95/72/591689572.db2.gz RPEQEWXZMLXAFJ-BBRMVZONSA-N 2 0 337.468 1.263 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000897865030 591698553 /nfs/dbraw/zinc/69/85/53/591698553.db2.gz VINHAXNPRKYCSE-QZTJIDSGSA-N 2 0 345.487 1.395 20 0 EDADRP C[NH+]1CCC(C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC1 ZINC000895322132 591712680 /nfs/dbraw/zinc/71/26/80/591712680.db2.gz ZPBIHSXDCWIWPS-UXHICEINSA-N 2 0 329.488 1.913 20 0 EDADRP CC1(C)CC[N@H+](CCNc2cc(N3CCCC[C@@H]3CO)ncn2)C1 ZINC000897249473 591786670 /nfs/dbraw/zinc/78/66/70/591786670.db2.gz VWLJHGCPVDJEFV-OAHLLOKOSA-N 2 0 333.480 1.972 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CC1 ZINC000895516111 591787701 /nfs/dbraw/zinc/78/77/01/591787701.db2.gz ODTXDEVDIAXRKV-UHFFFAOYSA-N 2 0 334.439 1.388 20 0 EDADRP C[C@H]1CN(Cc2ccc(C(=O)N(C)C)[nH]2)CCN1c1cc[nH+]cc1 ZINC000895557436 591801268 /nfs/dbraw/zinc/80/12/68/591801268.db2.gz QGURKECWMSFENI-AWEZNQCLSA-N 2 0 327.432 1.822 20 0 EDADRP C[NH+](C)CCOc1cc(NC(=O)COC2CC[NH+](C)CC2)ccn1 ZINC000897319407 591839891 /nfs/dbraw/zinc/83/98/91/591839891.db2.gz JBZPUMGWPNJHEW-UHFFFAOYSA-N 2 0 336.436 1.071 20 0 EDADRP CC[N@H+](CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)C1CCCCC1 ZINC000898273275 591849099 /nfs/dbraw/zinc/84/90/99/591849099.db2.gz VEZMIVICLAZADK-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CN(C)C(=O)C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000898290251 591854847 /nfs/dbraw/zinc/85/48/47/591854847.db2.gz SUQPAPLQDNVTLW-IYBDPMFKSA-N 2 0 333.476 1.816 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+](C)CCO ZINC000899741721 591927807 /nfs/dbraw/zinc/92/78/07/591927807.db2.gz VMXOWMYKQOKIQN-RTBURBONSA-N 2 0 347.503 1.575 20 0 EDADRP CCCn1ccnc1CCCN(C)Cn1nnc(-c2cscn2)n1 ZINC000902239505 591953010 /nfs/dbraw/zinc/95/30/10/591953010.db2.gz VBEYGHDKFQMWIF-UHFFFAOYSA-N 2 0 346.464 1.925 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900229969 591957268 /nfs/dbraw/zinc/95/72/68/591957268.db2.gz WHHSEXLZVHADGP-HXUWFJFHSA-N 2 0 347.503 1.990 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900331390 591991995 /nfs/dbraw/zinc/99/19/95/591991995.db2.gz HNCMYAZRJLOJOF-IBGZPJMESA-N 2 0 339.524 1.804 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900344536 591996813 /nfs/dbraw/zinc/99/68/13/591996813.db2.gz LSOVEWQNLULLMY-ROUUACIJSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1 ZINC000902512572 592004911 /nfs/dbraw/zinc/00/49/11/592004911.db2.gz AJYQRUUWXXHTFY-BBRMVZONSA-N 2 0 325.478 1.560 20 0 EDADRP C[NH+](C)CCN(C(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1 ZINC000900428302 592015366 /nfs/dbraw/zinc/01/53/66/592015366.db2.gz BKPAVIYAAXBVQH-UHFFFAOYSA-N 2 0 331.460 1.692 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000900563582 592053511 /nfs/dbraw/zinc/05/35/11/592053511.db2.gz YJZONEQDHIDQEV-YQVWRLOYSA-N 2 0 337.508 1.556 20 0 EDADRP CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000900659809 592083564 /nfs/dbraw/zinc/08/35/64/592083564.db2.gz AESSVVJBZWKYQQ-ABHNRTSZSA-N 2 0 335.492 1.430 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900694439 592088305 /nfs/dbraw/zinc/08/83/05/592088305.db2.gz HZYWFYRMQKAFRB-ZWKOTPCHSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900682776 592092943 /nfs/dbraw/zinc/09/29/43/592092943.db2.gz HUCPHQODPPHBCT-QZTJIDSGSA-N 3 0 338.540 1.735 20 0 EDADRP O=S1(=O)CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903116701 592123437 /nfs/dbraw/zinc/12/34/37/592123437.db2.gz NAWKCLAUICIALE-VHRNVKJDSA-N 2 0 327.494 1.159 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903461066 592171635 /nfs/dbraw/zinc/17/16/35/592171635.db2.gz OGWAUYQDZOONFK-UONOGXRCSA-N 2 0 331.416 1.111 20 0 EDADRP [NH3+]CCC1CC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000903461241 592171793 /nfs/dbraw/zinc/17/17/93/592171793.db2.gz QQONUQYDXGEDKI-UHFFFAOYSA-N 2 0 345.443 1.360 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1ccccc1C(C)=O)C2 ZINC000903493485 592186100 /nfs/dbraw/zinc/18/61/00/592186100.db2.gz YPRJXLXYPVDBFL-KHYOSLBOSA-N 2 0 346.427 1.480 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCOc1ccccc1C)C2 ZINC000903493695 592186200 /nfs/dbraw/zinc/18/62/00/592186200.db2.gz ZXWPSRAAXIWZEU-FCEWJHQRSA-N 2 0 332.444 1.976 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496454 592187528 /nfs/dbraw/zinc/18/75/28/592187528.db2.gz OJLTUIMDQZZAMG-IJEWVQPXSA-N 2 0 332.448 1.318 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(C(=O)N(C)C)cc2)C[C@H]1CC[NH3+] ZINC000903496382 592187684 /nfs/dbraw/zinc/18/76/84/592187684.db2.gz LXKWVKXYQHGEQF-UKRRQHHQSA-N 2 0 332.448 1.244 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998268 592201238 /nfs/dbraw/zinc/20/12/38/592201238.db2.gz YJUMGRKNIHEOMK-IRXDYDNUSA-N 2 0 336.524 1.534 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901026524 592203807 /nfs/dbraw/zinc/20/38/07/592203807.db2.gz MJZAVUZXZLMNML-MMIPBJDJSA-N 2 0 335.492 1.476 20 0 EDADRP CCc1nn(C)c(Cl)c1CN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904338834 592232203 /nfs/dbraw/zinc/23/22/03/592232203.db2.gz VXEHKKJYJSDBSR-BETUJISGSA-N 2 0 325.888 1.491 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)NC1(C2CC[NH2+]CC2)CC1 ZINC000904355335 592237491 /nfs/dbraw/zinc/23/74/91/592237491.db2.gz QFOCIMORUQQSKW-UHFFFAOYSA-N 2 0 326.404 1.921 20 0 EDADRP CC1CCN(c2ccc(C[NH2+]C3CCN(CC[NH3+])CC3)cn2)CC1 ZINC000904361953 592238526 /nfs/dbraw/zinc/23/85/26/592238526.db2.gz DESXGEWCZSWUNH-UHFFFAOYSA-N 2 0 331.508 1.831 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000901119445 592239173 /nfs/dbraw/zinc/23/91/73/592239173.db2.gz QQOSBSLOUWFSPU-RDGPPVDQSA-N 2 0 349.519 1.887 20 0 EDADRP CN1c2ccc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2CCC1=O ZINC000904392908 592243421 /nfs/dbraw/zinc/24/34/21/592243421.db2.gz CYYMLFGSGZOAHJ-KRWDZBQOSA-N 2 0 343.471 1.925 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906663041 592244824 /nfs/dbraw/zinc/24/48/24/592244824.db2.gz CCUAGWXZSVOFQA-GOEBONIOSA-N 2 0 330.432 1.027 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906662477 592245172 /nfs/dbraw/zinc/24/51/72/592245172.db2.gz WVNAJHWSOZUFFK-AWEZNQCLSA-N 2 0 346.475 1.619 20 0 EDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000904405000 592250754 /nfs/dbraw/zinc/25/07/54/592250754.db2.gz GLQBKKUGQKZRPR-MRXNPFEDSA-N 2 0 331.460 1.859 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417002 592252311 /nfs/dbraw/zinc/25/23/11/592252311.db2.gz WMFNUNPJUSZCGH-IAGOWNOFSA-N 3 0 336.524 1.285 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)CC(C)C ZINC000906673576 592254979 /nfs/dbraw/zinc/25/49/79/592254979.db2.gz LZHNSINYEWTBCE-QGZVFWFLSA-N 2 0 326.529 1.353 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000906678976 592260229 /nfs/dbraw/zinc/26/02/29/592260229.db2.gz RDMOTKZYWFIIKG-HNNXBMFYSA-N 2 0 344.459 1.322 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[C@@]43C[NH3+])n2)CC1 ZINC000904458301 592265814 /nfs/dbraw/zinc/26/58/14/592265814.db2.gz WPVWLWGBKSZOEU-SUMWQHHRSA-N 2 0 332.452 1.495 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000901189828 592270338 /nfs/dbraw/zinc/27/03/38/592270338.db2.gz ITPSITQSJDUJLQ-QGZVFWFLSA-N 2 0 345.491 1.193 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000904512370 592274994 /nfs/dbraw/zinc/27/49/94/592274994.db2.gz ZRXYEQOPJWKYKI-IRXDYDNUSA-N 2 0 348.447 1.087 20 0 EDADRP NC(=O)CC[N@@H+](Cc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903717694 592280676 /nfs/dbraw/zinc/28/06/76/592280676.db2.gz DGHFRWKAUKPKSK-KRWDZBQOSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)C1 ZINC000903721476 592283132 /nfs/dbraw/zinc/28/31/32/592283132.db2.gz AYTOLOSIGVNGEV-KPFFTGBYSA-N 2 0 349.519 1.726 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCOC1CCSCC1 ZINC000903745864 592293654 /nfs/dbraw/zinc/29/36/54/592293654.db2.gz AQEOLPDJQLTTSR-AWEZNQCLSA-N 2 0 329.510 1.218 20 0 EDADRP CCOC(=O)N(C)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903752968 592296562 /nfs/dbraw/zinc/29/65/62/592296562.db2.gz RDFUFVILJWKPNY-NVXWUHKLSA-N 2 0 325.453 1.308 20 0 EDADRP COc1cccc(N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903734229 592297796 /nfs/dbraw/zinc/29/77/96/592297796.db2.gz WEZIJIXBCARKAJ-RBUKOAKNSA-N 2 0 331.460 1.586 20 0 EDADRP Cc1cc(=O)n2nc(C[NH+]3CCC(C(C)(C)C[NH3+])CC3)sc2n1 ZINC000903789496 592322767 /nfs/dbraw/zinc/32/27/67/592322767.db2.gz VVMOOSZNFNLJRN-UHFFFAOYSA-N 2 0 335.477 1.656 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2C2(C[NH3+])CCC2)CC1 ZINC000903816228 592324335 /nfs/dbraw/zinc/32/43/35/592324335.db2.gz WQJRFFMOCIXARP-QGZVFWFLSA-N 2 0 336.524 1.570 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908151452 592339287 /nfs/dbraw/zinc/33/92/87/592339287.db2.gz LLFJQYLGUBORFN-RGVPCPSESA-N 2 0 349.519 1.963 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC([NH+]3CCCCC3)CC2)cnn1C ZINC000903878388 592358817 /nfs/dbraw/zinc/35/88/17/592358817.db2.gz HZYQZYYQZIGRRC-KRWDZBQOSA-N 2 0 333.524 1.796 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC[C@@H]2C[NH+]2CCCCC2)cnn1C ZINC000903886803 592364296 /nfs/dbraw/zinc/36/42/96/592364296.db2.gz SXYQIRUTONYCHF-IEBWSBKVSA-N 2 0 333.524 1.796 20 0 EDADRP Cn1ccnc1C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC12CC[NH2+]CC2 ZINC000903905915 592372525 /nfs/dbraw/zinc/37/25/25/592372525.db2.gz PUZOATYUSAJBML-FBVQUNGASA-N 3 0 343.519 1.895 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903905449 592373173 /nfs/dbraw/zinc/37/31/73/592373173.db2.gz GCSHAJXFOJVBSX-SFHVURJKSA-N 3 0 335.540 1.900 20 0 EDADRP COc1cc(CC[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)ccc1C ZINC000903926861 592381285 /nfs/dbraw/zinc/38/12/85/592381285.db2.gz VHIUHMHFGFMAAF-QGZVFWFLSA-N 2 0 330.476 1.995 20 0 EDADRP CC1([NH+]2CCCC2)CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903934926 592386481 /nfs/dbraw/zinc/38/64/81/592386481.db2.gz KGXNXYFGLCPUNQ-INIZCTEOSA-N 2 0 332.496 1.653 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(N(C)C(C)C)nc1)C2 ZINC000903977682 592399527 /nfs/dbraw/zinc/39/95/27/592399527.db2.gz VUHZPJZBVMFPJR-FCEWJHQRSA-N 2 0 346.475 1.639 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C/c1ccccc1OC)C2 ZINC000903978743 592400498 /nfs/dbraw/zinc/40/04/98/592400498.db2.gz LOJNDRZRNXWVNZ-KNVHLJKESA-N 2 0 330.428 1.921 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908240354 592401151 /nfs/dbraw/zinc/40/11/51/592401151.db2.gz UUXXTSLUHMXSIY-UHFFFAOYSA-N 2 0 345.491 1.904 20 0 EDADRP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903964154 592402545 /nfs/dbraw/zinc/40/25/45/592402545.db2.gz RFXIIJUKMURBDC-SFHVURJKSA-N 2 0 347.503 1.949 20 0 EDADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C1(O)CCOCC1 ZINC000905153409 592423226 /nfs/dbraw/zinc/42/32/26/592423226.db2.gz JQPRCJYYRNCZEK-JCYILVPMSA-N 2 0 326.481 1.276 20 0 EDADRP [NH3+]CCCn1ccc(-c2nc([C@H]3CN4CCCC[C@H]4CO3)no2)n1 ZINC000904099177 592425108 /nfs/dbraw/zinc/42/51/08/592425108.db2.gz LPQXCEYYUBUMKZ-GXTWGEPZSA-N 2 0 332.408 1.208 20 0 EDADRP C[C@H](CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)[N@H+](C)Cc1ccccc1 ZINC000905147770 592438229 /nfs/dbraw/zinc/43/82/29/592438229.db2.gz RRBCXPSUNSLNAT-NEWSRXKRSA-N 2 0 336.476 1.389 20 0 EDADRP CC[C@@](O)(C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(F)(F)F ZINC000905187298 592444309 /nfs/dbraw/zinc/44/43/09/592444309.db2.gz BKCLTPQDGQUSME-CQSZACIVSA-N 2 0 335.370 1.815 20 0 EDADRP Cc1cc(C)c(C(=O)N2CC[C@@H](OCCN3CCOCC3)C2)c(C)n1 ZINC000906999363 592469536 /nfs/dbraw/zinc/46/95/36/592469536.db2.gz WMATUZFXZYAPRO-QGZVFWFLSA-N 2 0 347.459 1.570 20 0 EDADRP CSC1(C[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC[NH+](C)CC1 ZINC000905263653 592481311 /nfs/dbraw/zinc/48/13/11/592481311.db2.gz OCJSAAOUORNUIN-DLBZAZTESA-N 2 0 338.517 1.888 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1 ZINC000905294927 592487380 /nfs/dbraw/zinc/48/73/80/592487380.db2.gz MWBYJXSCMDSHLB-UHFFFAOYSA-N 2 0 335.536 1.789 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341404 592511795 /nfs/dbraw/zinc/51/17/95/592511795.db2.gz ZVCHRVPNKJBCSQ-INIZCTEOSA-N 2 0 331.526 1.560 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)n1 ZINC000908571789 592544031 /nfs/dbraw/zinc/54/40/31/592544031.db2.gz MBLLYHNTPUAKSS-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000905503039 592546384 /nfs/dbraw/zinc/54/63/84/592546384.db2.gz MUEXGYNFVXPWHT-IEWDOMPSSA-N 2 0 336.451 1.928 20 0 EDADRP C[C@@H]1[C@@H]([NH2+]C[C@@]2(O)CCCN(C(=O)OC(C)(C)C)CC2)CCN1C ZINC000905542349 592557123 /nfs/dbraw/zinc/55/71/23/592557123.db2.gz JBOXYZHYBWMKKU-RVKKMQEKSA-N 2 0 341.496 1.821 20 0 EDADRP CCCOc1nccnc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905702138 592615469 /nfs/dbraw/zinc/61/54/69/592615469.db2.gz VJJGKGREYDLMGD-IYBDPMFKSA-N 2 0 331.464 1.670 20 0 EDADRP NC(=O)NC(=O)CC[NH2+][C@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709889 592619618 /nfs/dbraw/zinc/61/96/18/592619618.db2.gz PULBRTBCFJLNKX-IKGGRYGDSA-N 2 0 344.459 1.462 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905889611 592668807 /nfs/dbraw/zinc/66/88/07/592668807.db2.gz NKFKTBVYKPCXPG-MOPGFXCFSA-N 2 0 336.476 1.520 20 0 EDADRP Cc1cccc([C@@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000905927418 592685371 /nfs/dbraw/zinc/68/53/71/592685371.db2.gz OADOXVZEALWVKZ-SFHVURJKSA-N 2 0 333.476 1.418 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909918743 592713590 /nfs/dbraw/zinc/71/35/90/592713590.db2.gz RDUVHRBZNDBSIQ-QGZVFWFLSA-N 2 0 339.505 1.485 20 0 EDADRP Cc1cnccc1OC1CCN(C(=O)C2CN(C)CC[N@H+](C)C2)CC1 ZINC000907798311 592799229 /nfs/dbraw/zinc/79/92/29/592799229.db2.gz YGEGWBNUKIGIQC-UHFFFAOYSA-N 2 0 346.475 1.253 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382804 592814208 /nfs/dbraw/zinc/81/42/08/592814208.db2.gz UFSRTBCUPBWZID-QFBILLFUSA-N 2 0 344.503 1.432 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000911216093 592958328 /nfs/dbraw/zinc/95/83/28/592958328.db2.gz NQBHQGAXEHMZBQ-DZKIICNBSA-N 2 0 346.475 1.086 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)C1 ZINC000911825219 593017467 /nfs/dbraw/zinc/01/74/67/593017467.db2.gz OFHYMQZCYUQOPC-GXTWGEPZSA-N 2 0 336.505 1.885 20 0 EDADRP C[NH+](C)CC1(C(=O)N(CCO)C2CC[NH+](C)CC2)CCCCC1 ZINC000911941362 593040441 /nfs/dbraw/zinc/04/04/41/593040441.db2.gz OKTPCBOVVFHADW-UHFFFAOYSA-N 2 0 325.497 1.414 20 0 EDADRP Cc1cn(C(C)(C)C(=O)N2CCC(CO)([NH2+]CC(C)C)CC2)cn1 ZINC000912584772 593106307 /nfs/dbraw/zinc/10/63/07/593106307.db2.gz SPBJHBBNPIAUDB-UHFFFAOYSA-N 2 0 336.480 1.526 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000912589322 593106792 /nfs/dbraw/zinc/10/67/92/593106792.db2.gz VDOCMGJLQNCHFU-UHFFFAOYSA-N 2 0 330.432 1.547 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)[C@]4(CCCO4)[C@@H]3C3CC3)C2)CC1 ZINC000840037489 593402368 /nfs/dbraw/zinc/40/23/68/593402368.db2.gz QIGFYTPZEAYNLC-HBFSDRIKSA-N 2 0 347.503 1.778 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[NH+]1CCC(C)(C3CC3)CC1)C2=O ZINC000811784855 593482158 /nfs/dbraw/zinc/48/21/58/593482158.db2.gz MRDCPBSLLFCUKU-UHFFFAOYSA-N 2 0 334.464 1.472 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NOC/C=C/Cl ZINC000812705831 593507743 /nfs/dbraw/zinc/50/77/43/593507743.db2.gz GLAFNXJQHKKPMV-IZPAUZPXSA-N 2 0 332.876 1.728 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)CC[NH2+]CC1 ZINC000817911585 593647859 /nfs/dbraw/zinc/64/78/59/593647859.db2.gz CUJOKGRAYHSSQG-CRAIPNDOSA-N 2 0 334.460 1.805 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)CC[NH2+]CC1 ZINC000817914015 593648190 /nfs/dbraw/zinc/64/81/90/593648190.db2.gz SUMXUGVIBAUAOR-BBRMVZONSA-N 2 0 340.489 1.867 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818981637 593732194 /nfs/dbraw/zinc/73/21/94/593732194.db2.gz WISANEONSNPEQG-INIZCTEOSA-N 2 0 343.512 1.972 20 0 EDADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003813 593733448 /nfs/dbraw/zinc/73/34/48/593733448.db2.gz HIXYZEXAUZOUFR-YOEHRIQHSA-N 2 0 337.439 1.345 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000819061270 593736496 /nfs/dbraw/zinc/73/64/96/593736496.db2.gz KJLKPIGWTWDZCT-ROUUACIJSA-N 2 0 341.446 1.860 20 0 EDADRP COCC[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CCC[N@H+]1CCOC)C2 ZINC000820808854 593895130 /nfs/dbraw/zinc/89/51/30/593895130.db2.gz PBMPADVPWKFFOI-HQSKLWIPSA-N 2 0 325.497 1.329 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3cccnc3-n3ccnc3)[C@@H]2C1 ZINC000824167655 593944202 /nfs/dbraw/zinc/94/42/02/593944202.db2.gz RJUFKJWSGVXNLF-JKSUJKDBSA-N 2 0 340.431 1.503 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000821252682 593997323 /nfs/dbraw/zinc/99/73/23/593997323.db2.gz AZKVGMZQWJAISA-JQFCIGGWSA-N 2 0 344.463 1.562 20 0 EDADRP COC[C@]1(c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)CC[NH2+]C1 ZINC000822723199 594091719 /nfs/dbraw/zinc/09/17/19/594091719.db2.gz TVPLQPCTYXXMRL-SFHVURJKSA-N 2 0 346.431 1.555 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)cn2)CC1 ZINC000822951073 594127235 /nfs/dbraw/zinc/12/72/35/594127235.db2.gz JNJSEIQLCISSSH-KFWWJZLASA-N 2 0 340.431 1.696 20 0 EDADRP CC(C)C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)n1ccnc1 ZINC000825146747 594136264 /nfs/dbraw/zinc/13/62/64/594136264.db2.gz GXHAUQQXGLWHAG-KZNAEPCWSA-N 2 0 349.523 1.668 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC2)CC1 ZINC000825250715 594155519 /nfs/dbraw/zinc/15/55/19/594155519.db2.gz PGXSTCRMFVUZIX-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567580 594201614 /nfs/dbraw/zinc/20/16/14/594201614.db2.gz CFZPFASFYICRDO-MAUBAPBLSA-N 2 0 345.491 1.754 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825576469 594202609 /nfs/dbraw/zinc/20/26/09/594202609.db2.gz HXPGAZMNWFSJCW-XJKSGUPXSA-N 2 0 332.452 1.874 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCCCC[NH+](C)C2CC2)C[C@@H]1C ZINC000827154464 594648763 /nfs/dbraw/zinc/64/87/63/594648763.db2.gz BVCMQMRQCSMDTB-IYBDPMFKSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+]1CC[C@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC[C@H]21 ZINC000827247514 594656147 /nfs/dbraw/zinc/65/61/47/594656147.db2.gz XCIYOAKHKRCZJU-ZSYWTGECSA-N 2 0 327.472 1.884 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)CC2)CC1 ZINC000827435821 594671742 /nfs/dbraw/zinc/67/17/42/594671742.db2.gz XWGNLIBPQSPORD-UHFFFAOYSA-N 2 0 348.535 1.489 20 0 EDADRP CCO[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756755 594699931 /nfs/dbraw/zinc/69/99/31/594699931.db2.gz KYQBQTOFTXVRRB-ZWKOTPCHSA-N 2 0 348.491 1.377 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000841019777 594840395 /nfs/dbraw/zinc/84/03/95/594840395.db2.gz KVKWZTJZRRQPIF-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000833552335 594872220 /nfs/dbraw/zinc/87/22/20/594872220.db2.gz JTQYZKYCDIZHAQ-RHSMWYFYSA-N 2 0 329.460 1.162 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000841288761 594881992 /nfs/dbraw/zinc/88/19/92/594881992.db2.gz UFNWFKSESWKCPL-OAHLLOKOSA-N 2 0 332.448 1.974 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cccc2c1CC[NH2+]C2 ZINC000841305014 594883316 /nfs/dbraw/zinc/88/33/16/594883316.db2.gz DSMKDHDGDZTCOX-LSDHHAIUSA-N 2 0 330.432 1.317 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847193 594964164 /nfs/dbraw/zinc/96/41/64/594964164.db2.gz SMHYWJJDYXAODU-QWHCGFSZSA-N 2 0 341.358 1.516 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847359 594964883 /nfs/dbraw/zinc/96/48/83/594964883.db2.gz VGKIJEGWHDBEBT-IHRRRGAJSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@@]1(CNC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898610 594976674 /nfs/dbraw/zinc/97/66/74/594976674.db2.gz OZZOGCRNYIGNHJ-HKUYNNGSSA-N 2 0 346.475 1.268 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928662 594983521 /nfs/dbraw/zinc/98/35/21/594983521.db2.gz QWRHASGYEKQXID-HNNXBMFYSA-N 2 0 348.491 1.174 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841930200 594984015 /nfs/dbraw/zinc/98/40/15/594984015.db2.gz WRVRHNSOZVPOCX-UHFFFAOYSA-N 2 0 330.476 1.958 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000842201732 595036169 /nfs/dbraw/zinc/03/61/69/595036169.db2.gz AJONRPZBDLXLPO-UHFFFAOYSA-N 2 0 338.496 1.016 20 0 EDADRP CN(C(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C1CCC([NH3+])CC1 ZINC000842224033 595043858 /nfs/dbraw/zinc/04/38/58/595043858.db2.gz AGOVBOKLYDNMLA-UHFFFAOYSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000837766381 595190713 /nfs/dbraw/zinc/19/07/13/595190713.db2.gz DLRZTKBBWQPNJS-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000834776214 595209064 /nfs/dbraw/zinc/20/90/64/595209064.db2.gz SHSDVWIUCIYKOQ-UHFFFAOYSA-N 2 0 333.480 1.582 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000844171987 595290818 /nfs/dbraw/zinc/29/08/18/595290818.db2.gz SPVRNLKGWCNPCA-OWLYRPNTSA-N 2 0 335.492 1.667 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000844192588 595298678 /nfs/dbraw/zinc/29/86/78/595298678.db2.gz ZVFQVLMCUNKKNC-UHFFFAOYSA-N 2 0 325.416 1.544 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C[C@@H]3CSCC[NH2+]3)n2)ccn1 ZINC000843191540 595302139 /nfs/dbraw/zinc/30/21/39/595302139.db2.gz IMDUYKIIWLSNSJ-CYBMUJFWSA-N 2 0 349.460 1.320 20 0 EDADRP CCO[C@@H]1CN(C(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C[C@H]1C[NH3+] ZINC000846694659 595303159 /nfs/dbraw/zinc/30/31/59/595303159.db2.gz AUUXGXCGQFVNJJ-HZSPNIEDSA-N 2 0 340.855 1.256 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CCOC)CC1(C)C ZINC000844594571 595362770 /nfs/dbraw/zinc/36/27/70/595362770.db2.gz XXLBYQWOXJFFKS-OAHLLOKOSA-N 2 0 342.553 1.388 20 0 EDADRP O=C1O[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000848721166 595435804 /nfs/dbraw/zinc/43/58/04/595435804.db2.gz IMYSUHWWFNCOGA-ALKREAHSSA-N 2 0 343.427 1.815 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCNC(=O)c1ccc(F)cc1 ZINC000849067718 595477518 /nfs/dbraw/zinc/47/75/18/595477518.db2.gz YCYKVZBDJKACSG-HNNXBMFYSA-N 2 0 335.427 1.154 20 0 EDADRP CCN(CCNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)CCC(F)(F)F ZINC000849098242 595481186 /nfs/dbraw/zinc/48/11/86/595481186.db2.gz HZOBYMCEIKAZFG-ZDUSSCGKSA-N 2 0 337.434 1.859 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC3=[NH+]CCCN3C)CC2)c1 ZINC000849110291 595483477 /nfs/dbraw/zinc/48/34/77/595483477.db2.gz FWMKUKJLPILJPN-UHFFFAOYSA-N 2 0 329.492 1.788 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@@]1(C)C[C@]1(F)Cl ZINC000845411640 595494025 /nfs/dbraw/zinc/49/40/25/595494025.db2.gz RSHGEMKCNUNNLU-LSDHHAIUSA-N 2 0 336.883 1.826 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1ccccc1 ZINC000852774222 595537467 /nfs/dbraw/zinc/53/74/67/595537467.db2.gz QNNNKFCOIKYQCI-ROUUACIJSA-N 2 0 345.487 1.954 20 0 EDADRP [NH3+]CCn1cc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)nn1 ZINC000852800473 595548822 /nfs/dbraw/zinc/54/88/22/595548822.db2.gz ZHNVFPTZOKUMQU-UHFFFAOYSA-N 2 0 334.468 1.011 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)=NO1 ZINC000852859192 595580891 /nfs/dbraw/zinc/58/08/91/595580891.db2.gz OKCMDIGFHZTQBB-RDJZCZTQSA-N 2 0 330.432 1.433 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2(C[NH+](C)C)CCC2)cn1 ZINC000849585910 595582540 /nfs/dbraw/zinc/58/25/40/595582540.db2.gz MZNSOLXZRWOPLJ-HOTGVXAUSA-N 2 0 333.480 1.056 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849585337 595583245 /nfs/dbraw/zinc/58/32/45/595583245.db2.gz LBWABUTWWLYMRY-MSOLQXFVSA-N 2 0 347.507 1.400 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C=C3CC[NH2+]CC3)cc2)CC1 ZINC000852873547 595592506 /nfs/dbraw/zinc/59/25/06/595592506.db2.gz YHKCNXZLECFKTC-UHFFFAOYSA-N 2 0 342.487 1.360 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000850354030 595815828 /nfs/dbraw/zinc/81/58/28/595815828.db2.gz SKZQZLCJMGWLGE-ZDUSSCGKSA-N 2 0 342.509 1.550 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000851667445 595876565 /nfs/dbraw/zinc/87/65/65/595876565.db2.gz PBFFEHAVBAVFBA-KGLIPLIRSA-N 2 0 330.423 1.405 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851673772 595879169 /nfs/dbraw/zinc/87/91/69/595879169.db2.gz QCPCRNDWOSFTBI-IWCQGFGOSA-N 2 0 332.423 1.275 20 0 EDADRP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861717219 596078563 /nfs/dbraw/zinc/07/85/63/596078563.db2.gz YQWNNHDDXALRNZ-RTBURBONSA-N 2 0 343.471 1.102 20 0 EDADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)NCC[NH+]3CCCOCC3)c2)C1 ZINC000857187704 596180606 /nfs/dbraw/zinc/18/06/06/596180606.db2.gz GIWWADDIDQEDLO-LJQANCHMSA-N 2 0 345.487 1.948 20 0 EDADRP CC1(C)CC[C@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)OC1 ZINC000866668701 596286288 /nfs/dbraw/zinc/28/62/88/596286288.db2.gz IMKRSJNSCUIMCW-OAGGEKHMSA-N 2 0 337.464 1.449 20 0 EDADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866706320 596302012 /nfs/dbraw/zinc/30/20/12/596302012.db2.gz HIHDXFCVBWGFLO-GOSISDBHSA-N 2 0 339.480 1.095 20 0 EDADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)c1 ZINC000866709214 596302870 /nfs/dbraw/zinc/30/28/70/596302870.db2.gz IZVKKTUXQICNBW-NXHRZFHOSA-N 2 0 329.444 1.979 20 0 EDADRP CSc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866708043 596303274 /nfs/dbraw/zinc/30/32/74/596303274.db2.gz MNSOPIHRLMDFOH-BMFZPTHFSA-N 2 0 333.457 1.775 20 0 EDADRP O=C(CC[NH2+]CC1CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000870882093 596388376 /nfs/dbraw/zinc/38/83/76/596388376.db2.gz IBRZUDOFNWTZBN-UHFFFAOYSA-N 2 0 345.487 1.649 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)C1 ZINC000870887511 596391342 /nfs/dbraw/zinc/39/13/42/596391342.db2.gz CPYPRJYPNFSYMD-NCOADZHNSA-N 2 0 325.497 1.757 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000870887799 596391384 /nfs/dbraw/zinc/39/13/84/596391384.db2.gz GLKRRILCLORKMY-UHFFFAOYSA-N 2 0 328.460 1.694 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[NH2+]1 ZINC000870913170 596401363 /nfs/dbraw/zinc/40/13/63/596401363.db2.gz RPUAYVKZNHNORW-ZIAGYGMSSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCCCC1 ZINC000864878455 596402030 /nfs/dbraw/zinc/40/20/30/596402030.db2.gz QTJUYODKTOHYGV-AWEZNQCLSA-N 2 0 342.484 1.043 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870932909 596410835 /nfs/dbraw/zinc/41/08/35/596410835.db2.gz LCRSGGVCRJHEFZ-BXUZGUMPSA-N 2 0 340.265 1.907 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000870970819 596422184 /nfs/dbraw/zinc/42/21/84/596422184.db2.gz KYOIIDKWJHEERD-QAQDUYKDSA-N 2 0 330.476 1.442 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc3c(cnn3C)c2)CC1 ZINC000865448528 596578441 /nfs/dbraw/zinc/57/84/41/596578441.db2.gz HYTHIQUGWKUEQD-OAHLLOKOSA-N 2 0 330.480 1.332 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]CC23CC(C2)CN3C(=O)OC(C)(C)C)CC1 ZINC000865474228 596585045 /nfs/dbraw/zinc/58/50/45/596585045.db2.gz ZBIVSIOVEDHMNB-UHFFFAOYSA-N 2 0 339.480 1.432 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)CCOc1ccc2c(C)cc(=O)oc2c1 ZINC000863553992 596616211 /nfs/dbraw/zinc/61/62/11/596616211.db2.gz OVJUNROQTYYQED-UHFFFAOYSA-N 2 0 334.416 1.648 20 0 EDADRP C[C@@H]1[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000863554551 596616823 /nfs/dbraw/zinc/61/68/23/596616823.db2.gz BUIIZDDRTLFQFB-OWCLPIDISA-N 2 0 341.496 1.821 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NCC(C)(C)N2CCOCC2)CC1 ZINC000867955734 596633814 /nfs/dbraw/zinc/63/38/14/596633814.db2.gz GDUJLHLEXLOPRU-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(-c3cnn4c3C[NH2+]CC4)cc2)CC1 ZINC000863692299 596660153 /nfs/dbraw/zinc/66/01/53/596660153.db2.gz VDJOGCSXZNXVHH-UHFFFAOYSA-N 2 0 341.459 1.280 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC1(C)C ZINC000865774094 596677947 /nfs/dbraw/zinc/67/79/47/596677947.db2.gz OZWRBZVRHSCOOB-INIZCTEOSA-N 2 0 344.459 1.701 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncc3ccccn32)C[C@H]1C[NH+](C)C ZINC000870016735 596708782 /nfs/dbraw/zinc/70/87/82/596708782.db2.gz XKFFAJPMKHCXMY-HUUCEWRRSA-N 2 0 329.448 1.146 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC(F)(F)C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870016055 596708882 /nfs/dbraw/zinc/70/88/82/596708882.db2.gz BBSHODQPLVJKBX-GHMZBOCLSA-N 2 0 345.356 1.772 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016705 596708934 /nfs/dbraw/zinc/70/89/34/596708934.db2.gz VNEISLOFHJVVAZ-PFHJDOJBSA-N 2 0 325.497 1.244 20 0 EDADRP COCc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024043 596713907 /nfs/dbraw/zinc/71/39/07/596713907.db2.gz IGMAUYUDZCBPFS-QZTJIDSGSA-N 2 0 333.476 1.644 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)C[C@H]1C[NH+](C)C ZINC000870025542 596714465 /nfs/dbraw/zinc/71/44/65/596714465.db2.gz VXMAMGUGRDKZLR-ZIAGYGMSSA-N 2 0 329.448 1.374 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868217364 596729818 /nfs/dbraw/zinc/72/98/18/596729818.db2.gz SBJUDKPJPGDDKF-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP O=C([C@H](O)c1cnc[nH]1)N1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000868242888 596742259 /nfs/dbraw/zinc/74/22/59/596742259.db2.gz YHRAMAHABKNNPM-QGZVFWFLSA-N 2 0 337.383 1.340 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242030 596742514 /nfs/dbraw/zinc/74/25/14/596742514.db2.gz VYPQCHLUHCPUCW-YESZJQIVSA-N 2 0 344.459 1.430 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccccc2S(C)(=O)=O)C[C@H]1C[NH+](C)C ZINC000866012512 596757541 /nfs/dbraw/zinc/75/75/41/596757541.db2.gz FQYVBVLEBFOIFW-HUUCEWRRSA-N 2 0 339.505 1.266 20 0 EDADRP C[C@@H](c1ccccc1)N1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000870121501 596759918 /nfs/dbraw/zinc/75/99/18/596759918.db2.gz DYSXXWAMOWUSPI-PKOBYXMFSA-N 2 0 342.487 1.282 20 0 EDADRP CC(C)(O)C[C@@H](O)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000872197968 596831234 /nfs/dbraw/zinc/83/12/34/596831234.db2.gz HKIOBXUBLSSYER-LJQANCHMSA-N 2 0 349.519 1.306 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2nccc3ccccc32)C1 ZINC000872256189 596856729 /nfs/dbraw/zinc/85/67/29/596856729.db2.gz QDJASKLYYSGGHJ-JCGIZDLHSA-N 2 0 338.411 1.602 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000866501135 596894055 /nfs/dbraw/zinc/89/40/55/596894055.db2.gz JHHUURLRAZCSFB-UHFFFAOYSA-N 2 0 341.521 1.374 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)[C@H](C)O1 ZINC000875667174 596939670 /nfs/dbraw/zinc/93/96/70/596939670.db2.gz JYPJXMNNAXEBQT-ZHCJQAHYSA-N 2 0 340.512 1.181 20 0 EDADRP C[C@@H]1CN(CN2CCC3(CCC3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000872595278 596981140 /nfs/dbraw/zinc/98/11/40/596981140.db2.gz DIXYENUTVHNULP-IAGOWNOFSA-N 2 0 334.508 1.304 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)[C@H]3CCCCC[C@H]32)C[C@H]1C[NH+](C)C ZINC000872636872 597003050 /nfs/dbraw/zinc/00/30/50/597003050.db2.gz XONAMBPRYOFQPX-ZJPYXAASSA-N 2 0 336.524 1.406 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CN1CC(=O)N(C(C)C)C1=O ZINC000872744469 597055612 /nfs/dbraw/zinc/05/56/12/597055612.db2.gz VXGQPHKUHLYKHT-UHFFFAOYSA-N 2 0 338.496 1.916 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000874432561 597075453 /nfs/dbraw/zinc/07/54/53/597075453.db2.gz MWHMZYXJGGFTGI-MRXNPFEDSA-N 2 0 338.496 1.317 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000873111028 597199474 /nfs/dbraw/zinc/19/94/74/597199474.db2.gz CESCJEXMUZUZEC-HOTGVXAUSA-N 2 0 330.432 1.040 20 0 EDADRP CS(=O)(=O)NC[C@H]1CCCCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873202743 597225511 /nfs/dbraw/zinc/22/55/11/597225511.db2.gz BLUPQYJMCYOYGK-CYBMUJFWSA-N 2 0 343.518 1.298 20 0 EDADRP c1c(CN2CC[NH+](CC3CCOCC3)CC2)sc2c1C[NH2+]CC2 ZINC000873204735 597226356 /nfs/dbraw/zinc/22/63/56/597226356.db2.gz FUMFLFMGPDSSMH-UHFFFAOYSA-N 2 0 335.517 1.938 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206002 597226812 /nfs/dbraw/zinc/22/68/12/597226812.db2.gz YMONBDAPXAICPF-MRXNPFEDSA-N 2 0 334.533 1.606 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC1 ZINC000876518656 597228113 /nfs/dbraw/zinc/22/81/13/597228113.db2.gz IPCLKRFGNIRZKI-UHFFFAOYSA-N 2 0 345.443 1.876 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000873223945 597231829 /nfs/dbraw/zinc/23/18/29/597231829.db2.gz VNENWZHKLXPDHF-LJQANCHMSA-N 2 0 349.523 1.762 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236039 597234945 /nfs/dbraw/zinc/23/49/45/597234945.db2.gz SYQHONSPIRHNFZ-VPWXQRGCSA-N 2 0 345.487 1.677 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236035 597235182 /nfs/dbraw/zinc/23/51/82/597235182.db2.gz SYQHONSPIRHNFZ-RIFZZMRRSA-N 2 0 345.487 1.677 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000873236030 597235270 /nfs/dbraw/zinc/23/52/70/597235270.db2.gz SYQHONSPIRHNFZ-KNBMTAEXSA-N 2 0 345.487 1.677 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CCCCC1 ZINC000874994675 597235488 /nfs/dbraw/zinc/23/54/88/597235488.db2.gz VRVHKOBUPPFVTI-HNNXBMFYSA-N 2 0 340.512 1.395 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000873263572 597242227 /nfs/dbraw/zinc/24/22/27/597242227.db2.gz XGMHJMZCYYJKQK-JKSUJKDBSA-N 2 0 325.478 1.387 20 0 EDADRP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)cc1 ZINC000873265090 597242688 /nfs/dbraw/zinc/24/26/88/597242688.db2.gz GPZHSQCQPFAWEB-MTFMMBMASA-N 2 0 347.503 1.538 20 0 EDADRP FC(F)(F)CN1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873288730 597248642 /nfs/dbraw/zinc/24/86/42/597248642.db2.gz BBHYOODGIHVPAP-CQSZACIVSA-N 2 0 335.414 1.761 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccc2c(c1)OCC(=O)N2 ZINC000873293827 597249234 /nfs/dbraw/zinc/24/92/34/597249234.db2.gz PSGJIDVGVULROD-DZGCQCFKSA-N 2 0 345.443 1.827 20 0 EDADRP Cc1cc(NC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)n(C2CC[NH+](C)CC2)n1 ZINC000873312627 597253499 /nfs/dbraw/zinc/25/34/99/597253499.db2.gz RFJUNWOAVUCUIR-QAPCUYQASA-N 2 0 346.479 1.864 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000875072310 597270590 /nfs/dbraw/zinc/27/05/90/597270590.db2.gz USFUILHIJKNLLN-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876712370 597299785 /nfs/dbraw/zinc/29/97/85/597299785.db2.gz PQJHWYVBOKMMSK-MRXNPFEDSA-N 2 0 333.480 1.720 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000876729589 597309453 /nfs/dbraw/zinc/30/94/53/597309453.db2.gz RNJCSAFOEDTLTK-GOEBONIOSA-N 2 0 333.480 1.578 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875163264 597309599 /nfs/dbraw/zinc/30/95/99/597309599.db2.gz WWHRPGHKNZXDNF-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1(F)F ZINC000876738262 597315228 /nfs/dbraw/zinc/31/52/28/597315228.db2.gz ZYAGZOWZXCWGJB-HUUCEWRRSA-N 2 0 329.435 1.987 20 0 EDADRP CN(C(=O)[C@H](F)[C@@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876739918 597315635 /nfs/dbraw/zinc/31/56/35/597315635.db2.gz ANCGNQSUOVAOCH-CRAIPNDOSA-N 2 0 348.466 1.495 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876742319 597317161 /nfs/dbraw/zinc/31/71/61/597317161.db2.gz XFFBXJOZVFYMIJ-KSZLIROESA-N 2 0 333.451 1.615 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876750694 597320995 /nfs/dbraw/zinc/32/09/95/597320995.db2.gz RBRGWQQKLASTMG-HOTGVXAUSA-N 2 0 331.464 1.426 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000876754414 597322992 /nfs/dbraw/zinc/32/29/92/597322992.db2.gz OBDHENWNTXELER-XVWMLYKFSA-N 2 0 330.432 1.295 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000876772645 597334231 /nfs/dbraw/zinc/33/42/31/597334231.db2.gz PKDKESDFYJOPLY-CABCVRRESA-N 2 0 335.496 1.822 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782330 597338390 /nfs/dbraw/zinc/33/83/90/597338390.db2.gz PAYSRYPYXNZNGW-PBHICJAKSA-N 2 0 334.439 1.715 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000876829326 597353073 /nfs/dbraw/zinc/35/30/73/597353073.db2.gz HMNZDCVBGSEEGE-NUEKZKHPSA-N 2 0 344.484 1.822 20 0 EDADRP CN1CCOC[C@@H]1CNC(=O)NCCCCCCC[NH+]1CCCC1 ZINC000875340036 597390927 /nfs/dbraw/zinc/39/09/27/597390927.db2.gz UOVPTLLVWOWRTB-KRWDZBQOSA-N 2 0 340.512 1.663 20 0 EDADRP C[C@H](Cc1ccncc1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875348313 597394637 /nfs/dbraw/zinc/39/46/37/597394637.db2.gz IYSXGQNNJGZRRC-KBAYOESNSA-N 2 0 347.507 1.393 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875372018 597404518 /nfs/dbraw/zinc/40/45/18/597404518.db2.gz JCJDIXWFMKZAAW-CABCVRRESA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000877009442 597410304 /nfs/dbraw/zinc/41/03/04/597410304.db2.gz MGUPKWSYOJWQMI-RNOHYWCBSA-N 2 0 344.459 1.472 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000877130061 597439110 /nfs/dbraw/zinc/43/91/10/597439110.db2.gz IEDAVPTUGLEAQH-UONOGXRCSA-N 2 0 346.397 1.313 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201816 597460797 /nfs/dbraw/zinc/46/07/97/597460797.db2.gz RGOMQBCFUSLVFO-SFHVURJKSA-N 2 0 333.476 1.769 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000875535646 597468758 /nfs/dbraw/zinc/46/87/58/597468758.db2.gz QXDMZPAQPFFVCN-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP COCCC1(NC(=O)[C@H](C)N2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000877267818 597483699 /nfs/dbraw/zinc/48/36/99/597483699.db2.gz GIXHLCVOAVSKPX-INIZCTEOSA-N 2 0 345.487 1.708 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877340463 597495642 /nfs/dbraw/zinc/49/56/42/597495642.db2.gz JPCHUKHJRAOEAO-ROUUACIJSA-N 2 0 339.443 1.252 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877355710 597499793 /nfs/dbraw/zinc/49/97/93/597499793.db2.gz PCYOWZUDRDHJSG-UHTWSYAYSA-N 2 0 331.338 1.291 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1(C)C ZINC000877361470 597501171 /nfs/dbraw/zinc/50/11/71/597501171.db2.gz UOOVRNLISOXAGX-DEKYYXRVSA-N 2 0 337.386 1.115 20 0 EDADRP COc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000877668903 597546431 /nfs/dbraw/zinc/54/64/31/597546431.db2.gz QIHYQMRTJLLZIP-IAGOWNOFSA-N 2 0 335.492 1.875 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000877915417 597563754 /nfs/dbraw/zinc/56/37/54/597563754.db2.gz SDTYFXMTCYMGEF-UHFFFAOYSA-N 2 0 344.503 1.057 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)CC1 ZINC000879594344 597650013 /nfs/dbraw/zinc/65/00/13/597650013.db2.gz FXDNBONETMLCLS-GOSISDBHSA-N 2 0 337.508 1.426 20 0 EDADRP COC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCCOC1 ZINC000883188543 597681299 /nfs/dbraw/zinc/68/12/99/597681299.db2.gz LXMDXPGMWNWBOM-NUJGCVRESA-N 2 0 325.497 1.186 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(C(=O)OC(C)(C)C)C2)CC1 ZINC000878697713 597682302 /nfs/dbraw/zinc/68/23/02/597682302.db2.gz IYEHTXFKNUSALH-SFHVURJKSA-N 2 0 339.480 1.251 20 0 EDADRP COC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCCOC1 ZINC000883233966 597691384 /nfs/dbraw/zinc/69/13/84/597691384.db2.gz UDBJGEZUBCCRKE-HKUYNNGSSA-N 2 0 340.508 1.909 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN(CC[NH3+])CC(F)(F)F)c1ccccc1 ZINC000883444803 597749260 /nfs/dbraw/zinc/74/92/60/597749260.db2.gz PWLRKXNGPRENLV-AWEZNQCLSA-N 2 0 346.397 1.229 20 0 EDADRP C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000878947402 597764119 /nfs/dbraw/zinc/76/41/19/597764119.db2.gz XIKOPHMTDPZZED-CRAIPNDOSA-N 2 0 349.523 1.808 20 0 EDADRP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCCC(=O)NC(N)=O)C2 ZINC000880021088 597812125 /nfs/dbraw/zinc/81/21/25/597812125.db2.gz XXNKNGMDZAJMIL-QFBILLFUSA-N 2 0 344.459 1.415 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[N@@H+]2CCCOCC2)CCN1c1cc[nH+]cc1 ZINC000883666278 597855559 /nfs/dbraw/zinc/85/55/59/597855559.db2.gz LVCNMBAONIRHNS-MRXNPFEDSA-N 2 0 347.463 1.024 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000127640666 597874563 /nfs/dbraw/zinc/87/45/63/597874563.db2.gz QNYCGVDOXBHJKQ-UONOGXRCSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)CC2(CO)CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259724 597885633 /nfs/dbraw/zinc/88/56/33/597885633.db2.gz ZVMPOWPOEJGZDQ-AEFFLSMTSA-N 2 0 333.476 1.896 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000883898568 597936409 /nfs/dbraw/zinc/93/64/09/597936409.db2.gz BRGFGBKTHFZZNP-QGZVFWFLSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000884041885 597975949 /nfs/dbraw/zinc/97/59/49/597975949.db2.gz KGNOYDFPGSEODP-UHFFFAOYSA-N 2 0 335.448 1.255 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000884206272 598028384 /nfs/dbraw/zinc/02/83/84/598028384.db2.gz QMKWLTQDUSRNLG-OAGGEKHMSA-N 2 0 331.464 1.784 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000884208355 598029735 /nfs/dbraw/zinc/02/97/35/598029735.db2.gz XRLHNXUDXWMOFX-USXIJHARSA-N 2 0 343.427 1.282 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000884208812 598030166 /nfs/dbraw/zinc/03/01/66/598030166.db2.gz KOESNNWOAWWFAI-GOSISDBHSA-N 2 0 331.460 1.957 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)c1 ZINC000884243898 598041607 /nfs/dbraw/zinc/04/16/07/598041607.db2.gz RVUCESYCLBYBAU-HNNXBMFYSA-N 2 0 340.427 1.748 20 0 EDADRP C[NH+](C)CCN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CCCC1 ZINC000884305937 598060341 /nfs/dbraw/zinc/06/03/41/598060341.db2.gz NFQBXJCKNNGCAA-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000884336583 598073073 /nfs/dbraw/zinc/07/30/73/598073073.db2.gz SOZUHSBYPOEKSE-IAGOWNOFSA-N 2 0 343.475 1.095 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCCO1 ZINC000884341688 598075752 /nfs/dbraw/zinc/07/57/52/598075752.db2.gz DYQUDYAULWQHQZ-CHWSQXEVSA-N 2 0 342.237 1.025 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000884365080 598082376 /nfs/dbraw/zinc/08/23/76/598082376.db2.gz DBVDHGZABPODHG-UTUOFQBUSA-N 2 0 326.238 1.691 20 0 EDADRP CN(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000881132894 598084262 /nfs/dbraw/zinc/08/42/62/598084262.db2.gz QHDZMSFWHOQNOT-GOSISDBHSA-N 2 0 345.491 1.996 20 0 EDADRP CCc1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000881199309 598096765 /nfs/dbraw/zinc/09/67/65/598096765.db2.gz RAIHDXUDAGTNKC-HZPDHXFCSA-N 2 0 333.480 1.847 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)n1cc([C@H](C)[NH3+])nn1 ZINC000881278510 598115948 /nfs/dbraw/zinc/11/59/48/598115948.db2.gz WVWFSGXOAJPYNW-SQWLQELKSA-N 2 0 342.447 1.250 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCc2ccccc2C1 ZINC000914182400 695260428 /nfs/dbraw/zinc/26/04/28/695260428.db2.gz QHKSMMFJNAIHOJ-QGZVFWFLSA-N 2 0 330.476 1.827 20 0 EDADRP C[NH+](C)CC1CCC(NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000914278705 695326417 /nfs/dbraw/zinc/32/64/17/695326417.db2.gz WEZGCDIUIGNTFX-JCYILVPMSA-N 2 0 343.537 1.512 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017794 699998862 /nfs/dbraw/zinc/99/88/62/699998862.db2.gz WZEJLULCVZBNPX-KGLIPLIRSA-N 2 0 349.504 1.541 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992924783 695456522 /nfs/dbraw/zinc/45/65/22/695456522.db2.gz YUCDZUQSRLBDLV-IXDOHACOSA-N 2 0 346.475 1.796 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929846481 695641230 /nfs/dbraw/zinc/64/12/30/695641230.db2.gz ONYFIDBYLGTLTF-DLBZAZTESA-N 2 0 335.492 1.717 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000915073784 695732523 /nfs/dbraw/zinc/73/25/23/695732523.db2.gz ZUEGUWNCLJUABH-CVEARBPZSA-N 2 0 328.501 1.373 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000915098586 695739984 /nfs/dbraw/zinc/73/99/84/695739984.db2.gz PMBSNFDCIAPOFX-WMZOPIPTSA-N 2 0 337.508 1.699 20 0 EDADRP O=C(NC1C[NH+](C[C@H]2CCc3ccccc3C2)C1)C12CC[NH+](CC1)C2 ZINC001031265675 696081164 /nfs/dbraw/zinc/08/11/64/696081164.db2.gz IDCUSMLGNRPTJK-INIZCTEOSA-N 2 0 339.483 1.688 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC1CCOCC1 ZINC000993760811 696353396 /nfs/dbraw/zinc/35/33/96/696353396.db2.gz NUUNOCHGAIFFBI-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCn1cccn1 ZINC000993728245 696354576 /nfs/dbraw/zinc/35/45/76/696354576.db2.gz HOLOWGFQECRNGC-RDJZCZTQSA-N 2 0 333.480 1.194 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1CCn1cccn1 ZINC000993803219 696379341 /nfs/dbraw/zinc/37/93/41/696379341.db2.gz HRRIMOROQYPMDN-IAGOWNOFSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000940008368 700109879 /nfs/dbraw/zinc/10/98/79/700109879.db2.gz KSTZOGQIEDKVRU-ZDUSSCGKSA-N 2 0 337.493 1.411 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000916851604 696793150 /nfs/dbraw/zinc/79/31/50/696793150.db2.gz RBXGYZYUTCCVNI-PBHICJAKSA-N 2 0 333.480 1.856 20 0 EDADRP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994505078 696947788 /nfs/dbraw/zinc/94/77/88/696947788.db2.gz IGNIPQPSUUVCBA-RDJZCZTQSA-N 2 0 327.432 1.756 20 0 EDADRP C[C@@H](c1ccccc1)[C@@H](O)CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389126 697009367 /nfs/dbraw/zinc/00/93/67/697009367.db2.gz BWHYZOPZUCXKIL-YJBOKZPZSA-N 2 0 331.460 1.047 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(C[C@H](O)Cc2ccccc2)C1 ZINC001031440023 697109181 /nfs/dbraw/zinc/10/91/81/697109181.db2.gz OJZZIJCUYMBVAK-RTBURBONSA-N 2 0 345.487 1.265 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC2(C1)CC[NH+](CCCO)CC2)[NH+](C)C ZINC001040834602 697226416 /nfs/dbraw/zinc/22/64/16/697226416.db2.gz BSDLFFHKOXXGJF-MRXNPFEDSA-N 2 0 325.497 1.270 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001031584585 697280229 /nfs/dbraw/zinc/28/02/29/697280229.db2.gz GLBYTHWUIINJJW-GOSISDBHSA-N 2 0 333.451 1.901 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031665554 697445706 /nfs/dbraw/zinc/44/57/06/697445706.db2.gz AFLMWEVQGNPNRU-IAGOWNOFSA-N 2 0 337.508 1.722 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031686395 697516799 /nfs/dbraw/zinc/51/67/99/697516799.db2.gz MMUSVEUVQZICPN-IXDOHACOSA-N 2 0 337.508 1.580 20 0 EDADRP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688478 697523647 /nfs/dbraw/zinc/52/36/47/697523647.db2.gz GEGOSCMIGGDVTC-ZWKOTPCHSA-N 2 0 347.503 1.478 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688568 697525636 /nfs/dbraw/zinc/52/56/36/697525636.db2.gz IRGFTNYXVBZTHK-MOPGFXCFSA-N 2 0 343.471 1.140 20 0 EDADRP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689709 697531656 /nfs/dbraw/zinc/53/16/56/697531656.db2.gz YJZSMPBLBRWAGT-ZWKOTPCHSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000921422623 697601771 /nfs/dbraw/zinc/60/17/71/697601771.db2.gz BEFKRFRHUQSVHN-UGUYLWEFSA-N 2 0 340.537 1.594 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766545 699063706 /nfs/dbraw/zinc/06/37/06/699063706.db2.gz KUDFFXWROMAKBX-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031772036 699095784 /nfs/dbraw/zinc/09/57/84/699095784.db2.gz MEWIPOQUXLAWMS-SFHVURJKSA-N 2 0 331.460 1.598 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(C[C@@H](O)c2ccccc2F)C1 ZINC001031772387 699098786 /nfs/dbraw/zinc/09/87/86/699098786.db2.gz SBXTXTNXEUYDDN-QZTJIDSGSA-N 2 0 349.450 1.391 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054363 699114959 /nfs/dbraw/zinc/11/49/59/699114959.db2.gz IJWRELVSDAMONB-DYVFJYSZSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c1 ZINC000939054711 699115350 /nfs/dbraw/zinc/11/53/50/699115350.db2.gz NSSXJESABBFOBM-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1CCn2cncc2C1 ZINC001031779626 699184070 /nfs/dbraw/zinc/18/40/70/699184070.db2.gz XJEDJFAINBTJHA-AWEZNQCLSA-N 2 0 345.472 1.193 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@@H]1CCn2cncc2C1 ZINC001031779627 699184080 /nfs/dbraw/zinc/18/40/80/699184080.db2.gz XJEDJFAINBTJHA-CQSZACIVSA-N 2 0 345.472 1.193 20 0 EDADRP CC[C@H](F)CN1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566290 701585179 /nfs/dbraw/zinc/58/51/79/701585179.db2.gz AKEWANBBKFRLCU-CVEARBPZSA-N 2 0 340.487 1.047 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566780 701585417 /nfs/dbraw/zinc/58/54/17/701585417.db2.gz MVHXFFBTEQFPLY-QGZVFWFLSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941595895 701587530 /nfs/dbraw/zinc/58/75/30/701587530.db2.gz RDMNWIIIYGURBV-UHFFFAOYSA-N 2 0 336.524 1.203 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939256844 699433921 /nfs/dbraw/zinc/43/39/21/699433921.db2.gz FMHUILKSBULETD-BBRMVZONSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC001031812411 699497153 /nfs/dbraw/zinc/49/71/53/699497153.db2.gz BHAYLIQIXJDZSM-UHFFFAOYSA-N 2 0 345.491 1.176 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939396556 699546452 /nfs/dbraw/zinc/54/64/52/699546452.db2.gz KHSRJILLOZSRJB-RHSMWYFYSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939549586 699675219 /nfs/dbraw/zinc/67/52/19/699675219.db2.gz BNGWUYXZZDERCT-LRDDRELGSA-N 2 0 343.431 1.694 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165004 701604800 /nfs/dbraw/zinc/60/48/00/701604800.db2.gz CMNQNBHOLAQMEC-LSDHHAIUSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939543299 699684482 /nfs/dbraw/zinc/68/44/82/699684482.db2.gz CFRUTCPPTKHODC-UKRRQHHQSA-N 2 0 348.878 1.767 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000940148676 700281628 /nfs/dbraw/zinc/28/16/28/700281628.db2.gz CJIWVZKWGHHIBM-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940149874 700283015 /nfs/dbraw/zinc/28/30/15/700283015.db2.gz PRDCDGUAFOZKPQ-QGZVFWFLSA-N 2 0 347.507 1.539 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1)C1CC1 ZINC000940149929 700283043 /nfs/dbraw/zinc/28/30/43/700283043.db2.gz RZBCGMYHVVJZJL-QGZVFWFLSA-N 2 0 330.476 1.893 20 0 EDADRP Cn1ncc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940159782 700292405 /nfs/dbraw/zinc/29/24/05/700292405.db2.gz VCBLARGOHBJNMG-INIZCTEOSA-N 2 0 348.495 1.160 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940159677 700292561 /nfs/dbraw/zinc/29/25/61/700292561.db2.gz ORBVGRVLMRBZAO-MRXNPFEDSA-N 2 0 345.491 1.822 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000940164633 700299611 /nfs/dbraw/zinc/29/96/11/700299611.db2.gz RRTKFTCQHNETLI-HNNXBMFYSA-N 2 0 337.468 1.435 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000940178592 700312267 /nfs/dbraw/zinc/31/22/67/700312267.db2.gz IRSMOEKSJGEQPP-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP Cn1ncnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995051634 700357055 /nfs/dbraw/zinc/35/70/55/700357055.db2.gz BUSHQQLKGQAYCW-LSDHHAIUSA-N 2 0 348.495 1.064 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995053578 700379488 /nfs/dbraw/zinc/37/94/88/700379488.db2.gz HVDRVGDGOUNRCI-GJZGRUSLSA-N 2 0 349.479 1.627 20 0 EDADRP Cn1cncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995057769 700434881 /nfs/dbraw/zinc/43/48/81/700434881.db2.gz WFHCSEXNOWJOIO-CVEARBPZSA-N 2 0 347.507 1.669 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940426479 700620250 /nfs/dbraw/zinc/62/02/50/700620250.db2.gz SFDITAKQXSJNOM-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940426674 700620394 /nfs/dbraw/zinc/62/03/94/700620394.db2.gz XIHBSLMVCSTLDM-HOCLYGCPSA-N 2 0 349.479 1.661 20 0 EDADRP Cn1ncc(C[NH2+]C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000940471932 700657119 /nfs/dbraw/zinc/65/71/19/700657119.db2.gz CBQTVJNPHBJYJM-UHFFFAOYSA-N 2 0 348.495 1.162 20 0 EDADRP COc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457737 700661554 /nfs/dbraw/zinc/66/15/54/700661554.db2.gz RTOQZNPEGCLLFZ-MRXNPFEDSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852802 700952913 /nfs/dbraw/zinc/95/29/13/700952913.db2.gz FJNGIJFURHMWMI-SUMWQHHRSA-N 2 0 344.459 1.854 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940894862 700985878 /nfs/dbraw/zinc/98/58/78/700985878.db2.gz HULUFXCAFDUNPI-XJKSGUPXSA-N 2 0 330.432 1.545 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ccon2)C1 ZINC000995170744 701686327 /nfs/dbraw/zinc/68/63/27/701686327.db2.gz XTDYCIGPQPYTFY-ZIAGYGMSSA-N 2 0 343.431 1.824 20 0 EDADRP Cn1cncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995118173 701085876 /nfs/dbraw/zinc/08/58/76/701085876.db2.gz FMZMCHSTROPAIA-IAGOWNOFSA-N 2 0 347.507 1.527 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076289 701103874 /nfs/dbraw/zinc/10/38/74/701103874.db2.gz VPUZEMVBQWVZCU-SJORKVTESA-N 2 0 339.524 1.848 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995123558 701175389 /nfs/dbraw/zinc/17/53/89/701175389.db2.gz XICRHHSRJLNXFA-DLBZAZTESA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167010 701377684 /nfs/dbraw/zinc/37/76/84/701377684.db2.gz OPKORRAFUNBVLB-HZPDHXFCSA-N 2 0 335.492 1.335 20 0 EDADRP CC1(C)C[N@H+](CC[C@H]2CCOC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221554 701412381 /nfs/dbraw/zinc/41/23/81/701412381.db2.gz XCPIIIUAZGJSND-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)CC[N@@H+]1C ZINC000941413279 701528495 /nfs/dbraw/zinc/52/84/95/701528495.db2.gz UZOYHNNIQMFERW-VQIMIIECSA-N 2 0 348.535 1.345 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031978169 701993664 /nfs/dbraw/zinc/99/36/64/701993664.db2.gz PUMQXESJYHJWDV-LIRRHRJNSA-N 2 0 343.471 1.463 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC000999189338 706631619 /nfs/dbraw/zinc/63/16/19/706631619.db2.gz KFIIGTNSTQCECY-OWCLPIDISA-N 2 0 348.491 1.966 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000995807340 702053716 /nfs/dbraw/zinc/05/37/16/702053716.db2.gz YAATZBOLYPCAMJ-CVEARBPZSA-N 2 0 348.495 1.015 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)n1 ZINC000995810875 702058951 /nfs/dbraw/zinc/05/89/51/702058951.db2.gz FZJPHDOQTCBXGN-QGZVFWFLSA-N 2 0 347.507 1.685 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cncs1 ZINC000995822299 702091261 /nfs/dbraw/zinc/09/12/61/702091261.db2.gz JZNMEXQAJZFDKO-HZPDHXFCSA-N 2 0 348.516 1.812 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995832464 702108844 /nfs/dbraw/zinc/10/88/44/702108844.db2.gz MWJXKMYPJBIHQM-DJIMGWMZSA-N 2 0 347.507 1.570 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995857646 702167679 /nfs/dbraw/zinc/16/76/79/702167679.db2.gz ZRIFXQUKSCXARE-OCCSQVGLSA-N 2 0 339.505 1.631 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995877092 702182347 /nfs/dbraw/zinc/18/23/47/702182347.db2.gz FJGONXKPVYUPCK-ZDUSSCGKSA-N 2 0 325.478 1.242 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995878056 702184438 /nfs/dbraw/zinc/18/44/38/702184438.db2.gz DBOPYJFHUDSVDR-CVEARBPZSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)CCC1 ZINC000995894683 702197307 /nfs/dbraw/zinc/19/73/07/702197307.db2.gz KQDCYCXVKKWFKQ-MRXNPFEDSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995898442 702202880 /nfs/dbraw/zinc/20/28/80/702202880.db2.gz UQYBWCOVEUICKT-HZPDHXFCSA-N 2 0 334.464 1.650 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995919277 702238981 /nfs/dbraw/zinc/23/89/81/702238981.db2.gz YINUXEDWUWWZBO-DLBZAZTESA-N 2 0 347.507 1.621 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1)C1CCC1 ZINC000995920151 702240477 /nfs/dbraw/zinc/24/04/77/702240477.db2.gz SVSOZODFGQWHFI-OAHLLOKOSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)ncn1 ZINC000995930261 702260434 /nfs/dbraw/zinc/26/04/34/702260434.db2.gz ZYPLUXQMUWREAA-IRXDYDNUSA-N 2 0 347.507 1.698 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186557 702274989 /nfs/dbraw/zinc/27/49/89/702274989.db2.gz RMARIKXGCLHMNZ-KRWDZBQOSA-N 2 0 331.460 1.237 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186558 702275137 /nfs/dbraw/zinc/27/51/37/702275137.db2.gz RMARIKXGCLHMNZ-QGZVFWFLSA-N 2 0 331.460 1.237 20 0 EDADRP Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186330 702322944 /nfs/dbraw/zinc/32/29/44/702322944.db2.gz OCVWCMGQWXETGH-GOSISDBHSA-N 2 0 345.487 1.682 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995972693 702356917 /nfs/dbraw/zinc/35/69/17/702356917.db2.gz DXMDMLFHVRFPLP-JKSUJKDBSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)[nH]1 ZINC000995998925 702378264 /nfs/dbraw/zinc/37/82/64/702378264.db2.gz RIZZYANONJIJTD-AWEZNQCLSA-N 2 0 346.479 1.068 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942054210 702500523 /nfs/dbraw/zinc/50/05/23/702500523.db2.gz WODKHJSVPVGAGY-HOTGVXAUSA-N 2 0 325.497 1.460 20 0 EDADRP C[C@@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942057920 702508111 /nfs/dbraw/zinc/50/81/11/702508111.db2.gz QUOQJBGNYSXURS-ZBFHGGJFSA-N 2 0 333.480 1.295 20 0 EDADRP C[C@H]1C[N@H+](CCCF)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058580 702509366 /nfs/dbraw/zinc/50/93/66/702509366.db2.gz YPSINNQTYDZPSH-GJZGRUSLSA-N 2 0 339.459 1.245 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996126994 702558602 /nfs/dbraw/zinc/55/86/02/702558602.db2.gz LYBUWIFZPNDLQY-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996221988 702632529 /nfs/dbraw/zinc/63/25/29/702632529.db2.gz LLOBEMHUWCXBEX-QGZVFWFLSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)cn1 ZINC000996300100 702690994 /nfs/dbraw/zinc/69/09/94/702690994.db2.gz JYVMZJZJKQIRIE-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)nn1C ZINC000996301103 702693100 /nfs/dbraw/zinc/69/31/00/702693100.db2.gz PQORZXRAWPRMNX-WMLDXEAASA-N 2 0 347.507 1.539 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(NCc2cnsn2)CC1 ZINC000996464090 702791475 /nfs/dbraw/zinc/79/14/75/702791475.db2.gz JSRBDRWTGNOADQ-OAHLLOKOSA-N 2 0 337.493 1.492 20 0 EDADRP C[NH+](C)[C@](C)(C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1)c1ccccc1 ZINC000996503657 702825408 /nfs/dbraw/zinc/82/54/08/702825408.db2.gz BABSNVAIVMPTFJ-LPHOPBHVSA-N 2 0 333.476 1.282 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1 ZINC000996526802 702843120 /nfs/dbraw/zinc/84/31/20/702843120.db2.gz UGPMPVCGRWQOMC-CVEARBPZSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)nn1C ZINC000996519013 702854634 /nfs/dbraw/zinc/85/46/34/702854634.db2.gz MGGIHZOTKRJKBK-DOTOQJQBSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519250 702854804 /nfs/dbraw/zinc/85/48/04/702854804.db2.gz KBTXLRAMPVBOOI-KRWDZBQOSA-N 2 0 342.487 1.812 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519757 702855654 /nfs/dbraw/zinc/85/56/54/702855654.db2.gz QQFRXGXOJJJIMF-HUUCEWRRSA-N 2 0 333.480 1.089 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000996520245 702856100 /nfs/dbraw/zinc/85/61/00/702856100.db2.gz ORWRUDMLGKCLHF-HOTGVXAUSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)ncn1 ZINC000996521320 702857079 /nfs/dbraw/zinc/85/70/79/702857079.db2.gz VGIFCUNSXHWWIF-WBVHZDCISA-N 2 0 345.491 1.453 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cncs1 ZINC000996522019 702857669 /nfs/dbraw/zinc/85/76/69/702857669.db2.gz VAOCLFAVACODAR-AWEZNQCLSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561459 702875216 /nfs/dbraw/zinc/87/52/16/702875216.db2.gz PBKHRMFQPKUUAE-RHSMWYFYSA-N 2 0 346.475 1.966 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559816 702877986 /nfs/dbraw/zinc/87/79/86/702877986.db2.gz FREGTZWBHQHGRE-HNNXBMFYSA-N 2 0 349.504 1.269 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000996602969 702912616 /nfs/dbraw/zinc/91/26/16/702912616.db2.gz JFKIAMDWCZZXJM-RYQLBKOJSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000996653148 702942684 /nfs/dbraw/zinc/94/26/84/702942684.db2.gz YWWUVDOQOSQQCP-UHFFFAOYSA-N 2 0 347.488 1.931 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000996644148 702946656 /nfs/dbraw/zinc/94/66/56/702946656.db2.gz GNIKMVQCOZDAHE-GOSISDBHSA-N 2 0 347.507 1.418 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996690911 702986963 /nfs/dbraw/zinc/98/69/63/702986963.db2.gz GEHVDUDLFFDHDI-ZFWWWQNUSA-N 2 0 336.484 1.043 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996692558 702989743 /nfs/dbraw/zinc/98/97/43/702989743.db2.gz NKUQSHDCMPLJSZ-SFHVURJKSA-N 2 0 349.523 1.667 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000996692536 702989911 /nfs/dbraw/zinc/98/99/11/702989911.db2.gz NHVBYHGDOYKQTR-SFHVURJKSA-N 2 0 349.523 1.612 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996712378 703006736 /nfs/dbraw/zinc/00/67/36/703006736.db2.gz NGKAWZAPCFUAGN-AEFFLSMTSA-N 2 0 345.491 1.518 20 0 EDADRP CCOc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)n1 ZINC000996712476 703007438 /nfs/dbraw/zinc/00/74/38/703007438.db2.gz PNUYQQHXDOZNSQ-QGZVFWFLSA-N 2 0 348.491 1.901 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1)[NH+](C)C ZINC000996713348 703008052 /nfs/dbraw/zinc/00/80/52/703008052.db2.gz UFFQLGMAPOXZDE-MSOLQXFVSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001032026692 703045005 /nfs/dbraw/zinc/04/50/05/703045005.db2.gz ILGZREXMNLVSHB-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996799735 703085687 /nfs/dbraw/zinc/08/56/87/703085687.db2.gz WQOILQIUYGRWBD-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996947018 703216941 /nfs/dbraw/zinc/21/69/41/703216941.db2.gz RCWFGNHETGSOLQ-UHFFFAOYSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)s1 ZINC000996959571 703229914 /nfs/dbraw/zinc/22/99/14/703229914.db2.gz BSJPOVMRTDKDKW-OAHLLOKOSA-N 2 0 339.509 1.513 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cncs2)CC1 ZINC000996980413 703235492 /nfs/dbraw/zinc/23/54/92/703235492.db2.gz QUEXJOMYHOPOOX-CJNGLKHVSA-N 2 0 336.505 1.954 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCN(Cc2nccn2C)CC1 ZINC000996977129 703242041 /nfs/dbraw/zinc/24/20/41/703242041.db2.gz GWRJCKASZHIKKT-ZBFHGGJFSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996993862 703250461 /nfs/dbraw/zinc/25/04/61/703250461.db2.gz GMKDZJCMCDPNQK-MRXNPFEDSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)c1cnccn1 ZINC000996997798 703254781 /nfs/dbraw/zinc/25/47/81/703254781.db2.gz GZZWGHJAVFCGPO-HNNXBMFYSA-N 2 0 345.491 1.850 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)c1cnccn1 ZINC000996997800 703255017 /nfs/dbraw/zinc/25/50/17/703255017.db2.gz GZZWGHJAVFCGPO-OAHLLOKOSA-N 2 0 345.491 1.850 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000997007917 703265263 /nfs/dbraw/zinc/26/52/63/703265263.db2.gz RTNAKNAQSPWHKR-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000997008469 703266341 /nfs/dbraw/zinc/26/63/41/703266341.db2.gz MMUDZBOUOAKFPX-BEFAXECRSA-N 2 0 345.487 1.974 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1)[NH+]1CCCCCC1 ZINC000997064026 703308892 /nfs/dbraw/zinc/30/88/92/703308892.db2.gz SJEYDSCYKDGMOD-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000997064901 703309707 /nfs/dbraw/zinc/30/97/07/703309707.db2.gz WITKTMDOZWLHEA-QGZVFWFLSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997061977 703313209 /nfs/dbraw/zinc/31/32/09/703313209.db2.gz KRSBSNQMVCNCHZ-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997092758 703339720 /nfs/dbraw/zinc/33/97/20/703339720.db2.gz ATKNDBXMMIBHJU-MRXNPFEDSA-N 2 0 349.523 1.931 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997114767 703367697 /nfs/dbraw/zinc/36/76/97/703367697.db2.gz GWRAGEFXSJERLS-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)c1cnccn1 ZINC000997116018 703370188 /nfs/dbraw/zinc/37/01/88/703370188.db2.gz RDAZSARGNNUAHP-INIZCTEOSA-N 2 0 345.491 1.850 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnon3)CC2)CC1 ZINC000997141752 703403283 /nfs/dbraw/zinc/40/32/83/703403283.db2.gz AJTCWSUHACKVPE-UHFFFAOYSA-N 2 0 335.452 1.271 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC000997190422 703472658 /nfs/dbraw/zinc/47/26/58/703472658.db2.gz YAIXQVUIEXMTDD-DNVCBOLYSA-N 2 0 333.476 1.089 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185824 703475102 /nfs/dbraw/zinc/47/51/02/703475102.db2.gz SEQHNOAVQKTPSU-JKSUJKDBSA-N 2 0 345.491 1.768 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCC(F)(F)C3)CC2)C1 ZINC000997300426 703543922 /nfs/dbraw/zinc/54/39/22/703543922.db2.gz UWXTUVQCZAKSTL-KBPBESRZSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)sc1C ZINC000997298397 703556369 /nfs/dbraw/zinc/55/63/69/703556369.db2.gz IYOBUVNFNUZGIH-AWEZNQCLSA-N 2 0 336.505 1.792 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3csc(Cl)n3)CC2)C1 ZINC000997304509 703564058 /nfs/dbraw/zinc/56/40/58/703564058.db2.gz VQQIJQXMKXYDDO-LLVKDONJSA-N 2 0 342.896 1.829 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000997307057 703565595 /nfs/dbraw/zinc/56/55/95/703565595.db2.gz MTGVTSFVPJRGSC-UHFFFAOYSA-N 2 0 336.505 1.936 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1)[NH+]1CCCC1 ZINC000997368212 703604895 /nfs/dbraw/zinc/60/48/95/703604895.db2.gz CGTSDGXMUJYTNA-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1)[NH+]1CCCC1 ZINC000997368223 703605234 /nfs/dbraw/zinc/60/52/34/703605234.db2.gz CWLYPZUKBMVVLP-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032444011 703621168 /nfs/dbraw/zinc/62/11/68/703621168.db2.gz HOHWQBQLNPJTMI-BZSNNMDCSA-N 2 0 333.476 1.325 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000997390845 703658073 /nfs/dbraw/zinc/65/80/73/703658073.db2.gz ROMBDYNHOBPMBY-SJLPKXTDSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)Cc1noc(CNC2CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000997412588 703668111 /nfs/dbraw/zinc/66/81/11/703668111.db2.gz GTPITGOEJXYCPO-UHFFFAOYSA-N 2 0 346.435 1.245 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2ncccn2)CC1 ZINC000997597397 703886829 /nfs/dbraw/zinc/88/68/29/703886829.db2.gz VJNCKTNFSPXDHV-ZMSDIMECSA-N 2 0 345.491 1.534 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997614419 703914074 /nfs/dbraw/zinc/91/40/74/703914074.db2.gz QRUPARRXBKZFFE-DOMZBBRYSA-N 2 0 335.452 1.361 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997642528 703948691 /nfs/dbraw/zinc/94/86/91/703948691.db2.gz RAOLMRJSTLZOFA-WMZOPIPTSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)c1 ZINC000995550603 703954441 /nfs/dbraw/zinc/95/44/41/703954441.db2.gz JXEMXIDTZWQARN-SJORKVTESA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553085 703964823 /nfs/dbraw/zinc/96/48/23/703964823.db2.gz SOASCGAUCRNDLO-IAGOWNOFSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)nn1C ZINC000995555161 703974284 /nfs/dbraw/zinc/97/42/84/703974284.db2.gz YOJKTMHQPHTEDP-HZPDHXFCSA-N 2 0 333.480 1.149 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079001 704130742 /nfs/dbraw/zinc/13/07/42/704130742.db2.gz YZBIIHIZWYKQJP-HOTGVXAUSA-N 2 0 325.497 1.819 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999300817 706803157 /nfs/dbraw/zinc/80/31/57/706803157.db2.gz BAVDLKVZMHIZOT-DOTOQJQBSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CC1CCOCC1 ZINC000947933938 704591013 /nfs/dbraw/zinc/59/10/13/704591013.db2.gz IIXHZOMFYWEUSH-NVXWUHKLSA-N 2 0 335.492 1.478 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2C[NH+]([C@@H](C)COC)C2)o1 ZINC001032219373 704620013 /nfs/dbraw/zinc/62/00/13/704620013.db2.gz XPFCMAOLBBOTQH-AWEZNQCLSA-N 2 0 337.464 1.818 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792632 704701553 /nfs/dbraw/zinc/70/15/53/704701553.db2.gz JFSOPZVEYBHPJX-XJKCOSOUSA-N 2 0 348.495 1.343 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nc1 ZINC000997825050 704744662 /nfs/dbraw/zinc/74/46/62/704744662.db2.gz YLTUHONTWRVDOP-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)[nH]1 ZINC000997831467 704749456 /nfs/dbraw/zinc/74/94/56/704749456.db2.gz SRAAIPHWMGRGRA-ZDUSSCGKSA-N 2 0 348.495 1.487 20 0 EDADRP C[C@H](NC(=O)c1c[nH+]ccc1N(C)C)C1CC[NH+](CCCO)CC1 ZINC000997836984 704754048 /nfs/dbraw/zinc/75/40/48/704754048.db2.gz OVAUYAGPFJMJTJ-AWEZNQCLSA-N 2 0 334.464 1.360 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000997840097 704756285 /nfs/dbraw/zinc/75/62/85/704756285.db2.gz MJZKQHPSBQCSBY-INIZCTEOSA-N 2 0 348.495 1.316 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2OC)CC1)[NH+](C)C ZINC000997854332 704766431 /nfs/dbraw/zinc/76/64/31/704766431.db2.gz BQDMOLBKTGAKLS-QGZVFWFLSA-N 2 0 348.491 1.759 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1)[NH+](C)C ZINC000997854558 704766756 /nfs/dbraw/zinc/76/67/56/704766756.db2.gz GGDSJTGDLWITSR-SWLSCSKDSA-N 2 0 339.509 1.768 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000997864864 704770147 /nfs/dbraw/zinc/77/01/47/704770147.db2.gz BTHRWMJXWFNIGQ-RDJZCZTQSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000997865529 704772749 /nfs/dbraw/zinc/77/27/49/704772749.db2.gz FIZGBKVFTDZMSH-YOEHRIQHSA-N 2 0 348.466 1.889 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000944921023 704773285 /nfs/dbraw/zinc/77/32/85/704773285.db2.gz XRMNXMMMWNJESP-GDBMZVCRSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997866788 704773503 /nfs/dbraw/zinc/77/35/03/704773503.db2.gz UQCQQMUNSBCAEX-CZUORRHYSA-N 2 0 348.495 1.487 20 0 EDADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCCO)CC1 ZINC000997870060 704776484 /nfs/dbraw/zinc/77/64/84/704776484.db2.gz BMFFOXHTZUHEGK-INIZCTEOSA-N 2 0 347.503 1.961 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092153 705061948 /nfs/dbraw/zinc/06/19/48/705061948.db2.gz PPZGVUVEDXMIPF-MAUKXSAKSA-N 2 0 333.476 1.835 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998004316 705166068 /nfs/dbraw/zinc/16/60/68/705166068.db2.gz LJAZRCHZHHNDDY-IAGOWNOFSA-N 2 0 325.497 1.555 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)CC1 ZINC000998032354 705217752 /nfs/dbraw/zinc/21/77/52/705217752.db2.gz SBJCQYYSQGKKDD-UHFFFAOYSA-N 2 0 348.466 1.891 20 0 EDADRP CCN(C(=O)[C@@H]1CCc2cncn2C1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998042879 705237648 /nfs/dbraw/zinc/23/76/48/705237648.db2.gz ASWRSZYDEGXUBE-SJORKVTESA-N 2 0 348.491 1.795 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076740 705297127 /nfs/dbraw/zinc/29/71/27/705297127.db2.gz CYHUXDWWSXHUOG-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1ncccn1 ZINC000998081205 705301432 /nfs/dbraw/zinc/30/14/32/705301432.db2.gz GSQDBDXXZKDCHF-JKSUJKDBSA-N 2 0 345.491 1.850 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000998081315 705302327 /nfs/dbraw/zinc/30/23/27/705302327.db2.gz IUEDVYMFLPHIFB-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998082013 705308253 /nfs/dbraw/zinc/30/82/53/705308253.db2.gz NBYABHOHSMDCFT-INIZCTEOSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082523 705309938 /nfs/dbraw/zinc/30/99/38/705309938.db2.gz QJWSORMOEMGBEZ-GJZGRUSLSA-N 2 0 348.495 1.046 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1nncn1C ZINC000998084103 705314462 /nfs/dbraw/zinc/31/44/62/705314462.db2.gz ZOCRSUWKQSHQBT-LSDHHAIUSA-N 2 0 348.495 1.189 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998273534 705653765 /nfs/dbraw/zinc/65/37/65/705653765.db2.gz JMRFSUBOHKYGNQ-UHFFFAOYSA-N 2 0 334.464 1.715 20 0 EDADRP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998763773 706200106 /nfs/dbraw/zinc/20/01/06/706200106.db2.gz OXBLNVNGTJEJPT-UYSNPLJNSA-N 2 0 348.495 1.250 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763577 706202727 /nfs/dbraw/zinc/20/27/27/706202727.db2.gz NUJSYVJIHHBLKE-VMBOVVBDSA-N 2 0 334.464 1.935 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000998900809 706337396 /nfs/dbraw/zinc/33/73/96/706337396.db2.gz HSJCKBNXJUMNPH-PCKAHOCUSA-N 2 0 348.495 1.157 20 0 EDADRP CN(C(=O)[C@@H]1CCCc2nccn21)C1CC(NCc2csnn2)C1 ZINC000998902663 706339718 /nfs/dbraw/zinc/33/97/18/706339718.db2.gz WUGCDUAEFBPLMP-UBHUBRDASA-N 2 0 346.460 1.391 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999057731 706479982 /nfs/dbraw/zinc/47/99/82/706479982.db2.gz QKLWAQIXRLLXOS-ODIFPOPNSA-N 2 0 342.443 1.954 20 0 EDADRP Cc1cc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)on1 ZINC000946517194 706520558 /nfs/dbraw/zinc/52/05/58/706520558.db2.gz BDQCCIUPHSPEOP-JZXOWHBKSA-N 2 0 346.475 1.748 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)on1 ZINC000999402924 706911480 /nfs/dbraw/zinc/91/14/80/706911480.db2.gz LLPXMJIOKYKQBT-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999407538 706917449 /nfs/dbraw/zinc/91/74/49/706917449.db2.gz WWPLBIFJYRFOQY-GTPINHCMSA-N 2 0 330.476 1.953 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999410585 706920149 /nfs/dbraw/zinc/92/01/49/706920149.db2.gz ZDFXZEDZPFZUBY-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP Cn1nncc1C[NH2+][C@@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000999501069 706998728 /nfs/dbraw/zinc/99/87/28/706998728.db2.gz FAVLBQYIIMPXRC-CYBMUJFWSA-N 2 0 339.403 1.086 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)[nH]1 ZINC000999509277 707007206 /nfs/dbraw/zinc/00/72/06/707007206.db2.gz PNYTXXYDPFFWOY-UWTIGNOOSA-N 2 0 348.495 1.485 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CC[C@H]3CCCO3)C2)CC1 ZINC000999598188 707100872 /nfs/dbraw/zinc/10/08/72/707100872.db2.gz KLNQJLHWHQBEBF-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999612121 707127992 /nfs/dbraw/zinc/12/79/92/707127992.db2.gz BHJDIHYLSXJUNQ-DOTOQJQBSA-N 2 0 342.443 1.955 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999698839 707225879 /nfs/dbraw/zinc/22/58/79/707225879.db2.gz LJLDEFUJVKMFPA-QQFBHYJXSA-N 2 0 346.475 1.767 20 0 EDADRP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999689312 707245006 /nfs/dbraw/zinc/24/50/06/707245006.db2.gz RLHHAGPVHNMEJO-ZLPCBKJTSA-N 2 0 347.507 1.366 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999704758 707294333 /nfs/dbraw/zinc/29/43/33/707294333.db2.gz ZTZPGFQUJGULAZ-WLYUNCDWSA-N 2 0 332.448 1.377 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033274474 707352770 /nfs/dbraw/zinc/35/27/70/707352770.db2.gz YYDYSSNIJADKSH-MAUKXSAKSA-N 2 0 342.443 1.907 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999793578 707364733 /nfs/dbraw/zinc/36/47/33/707364733.db2.gz RDLSEXZEGKZLLT-MSOLQXFVSA-N 2 0 345.491 1.338 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795219 707366705 /nfs/dbraw/zinc/36/67/05/707366705.db2.gz YLXWBYGRQCYMIB-WMZOPIPTSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999828046 707456468 /nfs/dbraw/zinc/45/64/68/707456468.db2.gz BGDFJBOSKUOIMO-UNXYVOJBSA-N 2 0 342.896 1.827 20 0 EDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926599 707668542 /nfs/dbraw/zinc/66/85/42/707668542.db2.gz MAWVXINHNDRSGM-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC001000079831 707691806 /nfs/dbraw/zinc/69/18/06/707691806.db2.gz BUVRIHZOTQDXMY-GOEBONIOSA-N 2 0 331.464 1.460 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001033396103 707734793 /nfs/dbraw/zinc/73/47/93/707734793.db2.gz LSZAKDGDPKWECW-MSOLQXFVSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033390356 707764231 /nfs/dbraw/zinc/76/42/31/707764231.db2.gz JSRKDTLWIKAHGM-LJQANCHMSA-N 2 0 345.487 1.553 20 0 EDADRP CCn1nncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001004968880 707769411 /nfs/dbraw/zinc/76/94/11/707769411.db2.gz XOJSAKSQMIAXTE-HIFRSBDPSA-N 2 0 345.451 1.123 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC001000185149 707823792 /nfs/dbraw/zinc/82/37/92/707823792.db2.gz PLQWTWVSCMWYLY-RDJZCZTQSA-N 2 0 346.475 1.655 20 0 EDADRP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984872 707833132 /nfs/dbraw/zinc/83/31/32/707833132.db2.gz YVHSMKUILDHUFS-SJLPKXTDSA-N 2 0 349.519 1.868 20 0 EDADRP CCn1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)nn1 ZINC001004991640 707856483 /nfs/dbraw/zinc/85/64/83/707856483.db2.gz LIJRWXBASXKXQQ-NVXWUHKLSA-N 2 0 348.495 1.253 20 0 EDADRP O=C(NCC1=CC[N@H+](CCOC2CCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001000707552 708062582 /nfs/dbraw/zinc/06/25/82/708062582.db2.gz HDZQKNUJYFFOPJ-IBGZPJMESA-N 2 0 347.503 1.646 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001005182601 708128976 /nfs/dbraw/zinc/12/89/76/708128976.db2.gz DRGQBCQZAYRDSI-RTBURBONSA-N 2 0 345.487 1.737 20 0 EDADRP Cc1cc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC001001835482 708339878 /nfs/dbraw/zinc/33/98/78/708339878.db2.gz WXPOJPVWCXCJEN-KBXCAEBGSA-N 2 0 347.507 1.254 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001831894 708357593 /nfs/dbraw/zinc/35/75/93/708357593.db2.gz BFXZTJUHYBTEMO-VQIMIIECSA-N 2 0 344.503 1.916 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001001973879 708489219 /nfs/dbraw/zinc/48/92/19/708489219.db2.gz MEKWGGNKMVMIJX-CQSZACIVSA-N 2 0 343.431 1.090 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001002053541 708585613 /nfs/dbraw/zinc/58/56/13/708585613.db2.gz UAEOFCIAKSCCMA-KRWDZBQOSA-N 2 0 335.492 1.480 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000921884312 708787383 /nfs/dbraw/zinc/78/73/83/708787383.db2.gz UCCHPTGBACCZGS-ZWKOTPCHSA-N 2 0 346.475 1.147 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385135 708825594 /nfs/dbraw/zinc/82/55/94/708825594.db2.gz POHCGDMCZJVHKN-HOTGVXAUSA-N 2 0 338.496 1.046 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033831465 708853982 /nfs/dbraw/zinc/85/39/82/708853982.db2.gz WLBOOAXKYXDSBW-OALUTQOASA-N 2 0 342.487 1.846 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005395729 708876493 /nfs/dbraw/zinc/87/64/93/708876493.db2.gz CPDKDHBPHBVISG-VQIMIIECSA-N 2 0 349.519 1.678 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033896197 709014117 /nfs/dbraw/zinc/01/41/17/709014117.db2.gz CILGYOLAHPMOLX-QAPCUYQASA-N 2 0 342.443 1.907 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C[C@@H](O)c2ccccc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001032826489 709108707 /nfs/dbraw/zinc/10/87/07/709108707.db2.gz JCFOPSSRZBVNDH-GBESFXJTSA-N 2 0 343.471 1.252 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001034015012 709231117 /nfs/dbraw/zinc/23/11/17/709231117.db2.gz DSBNJYKEDRXKRX-ZWKOTPCHSA-N 2 0 349.519 1.964 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034044433 709296621 /nfs/dbraw/zinc/29/66/21/709296621.db2.gz BABVXDGDAPLWJQ-CRAIPNDOSA-N 2 0 333.476 1.665 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002791411 709399252 /nfs/dbraw/zinc/39/92/52/709399252.db2.gz IDTXHBWYRUWNOS-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C)CCO2)C1 ZINC001034148219 709418954 /nfs/dbraw/zinc/41/89/54/709418954.db2.gz GSZYEYVHDZLOTB-QZTJIDSGSA-N 2 0 346.475 1.191 20 0 EDADRP Cc1oncc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209751 709559213 /nfs/dbraw/zinc/55/92/13/709559213.db2.gz DGRYAKYPWYHALN-ROUUACIJSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001034258067 709643164 /nfs/dbraw/zinc/64/31/64/709643164.db2.gz QMNDIEGVNQJBBC-ZWKOTPCHSA-N 2 0 349.519 1.870 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002953777 709653696 /nfs/dbraw/zinc/65/36/96/709653696.db2.gz CKTOFBWDHGRFPJ-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002954613 709655056 /nfs/dbraw/zinc/65/50/56/709655056.db2.gz GFMZEZQHGWRNFD-GOSISDBHSA-N 2 0 347.507 1.418 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CCCC[N@H+](CCO)C1 ZINC001034330266 709784660 /nfs/dbraw/zinc/78/46/60/709784660.db2.gz LSLQVNAMMVROCV-KRWDZBQOSA-N 2 0 333.476 1.367 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331568 709786424 /nfs/dbraw/zinc/78/64/24/709786424.db2.gz TVKZFILRVKZJTD-FUHWJXTLSA-N 2 0 347.503 1.756 20 0 EDADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCn2cccn2)C1)[NH+]1CCCC1 ZINC001034340837 709806542 /nfs/dbraw/zinc/80/65/42/709806542.db2.gz WFRSHUOGROBURZ-KRWDZBQOSA-N 2 0 347.507 1.728 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369764 709855455 /nfs/dbraw/zinc/85/54/55/709855455.db2.gz UZKXCUHCRVUFEI-IAGOWNOFSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000702808699 709855967 /nfs/dbraw/zinc/85/59/67/709855967.db2.gz HXEBRWUUJNXBFB-GDBMZVCRSA-N 2 0 341.496 1.677 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCc3cnc(C)n3C2)C1 ZINC001034365152 709885735 /nfs/dbraw/zinc/88/57/35/709885735.db2.gz QBQWVOXCSWOIGW-HZPDHXFCSA-N 2 0 334.464 1.371 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCCN(Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034365332 709886891 /nfs/dbraw/zinc/88/68/91/709886891.db2.gz ZRVWITFZKQPGPO-ULQDDVLXSA-N 2 0 347.507 1.621 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439205 710015589 /nfs/dbraw/zinc/01/55/89/710015589.db2.gz SJLYTKUCLRHIQW-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)c2ccn3c[nH+]cc3c2)CC1)OC ZINC001003252462 710176429 /nfs/dbraw/zinc/17/64/29/710176429.db2.gz VALLISUOGHLVBI-QGZVFWFLSA-N 2 0 330.432 1.954 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034526186 710177547 /nfs/dbraw/zinc/17/75/47/710177547.db2.gz VNWQPCORRRAIQJ-HOTGVXAUSA-N 2 0 348.491 1.968 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCC3CCOCC3)C2)C1 ZINC001034526486 710178252 /nfs/dbraw/zinc/17/82/52/710178252.db2.gz YPLKWXNZSLNIST-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529303 710183917 /nfs/dbraw/zinc/18/39/17/710183917.db2.gz YGKCYDILBGPXTK-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(Cl)cc1 ZINC000423770086 710240487 /nfs/dbraw/zinc/24/04/87/710240487.db2.gz HCURANOBZQFJAF-HNNXBMFYSA-N 2 0 347.850 1.742 20 0 EDADRP CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334530 710258469 /nfs/dbraw/zinc/25/84/69/710258469.db2.gz WOSVUQOWXDIKKN-CMVHYPBASA-N 2 0 349.519 1.866 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034610801 710284813 /nfs/dbraw/zinc/28/48/13/710284813.db2.gz FHYOZPOXHNAQMU-BFYDXBDKSA-N 2 0 334.464 1.848 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034648572 710325232 /nfs/dbraw/zinc/32/52/32/710325232.db2.gz MBKHOEBNVWZICK-NCXUSEDFSA-N 2 0 349.519 1.914 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648767 710325282 /nfs/dbraw/zinc/32/52/82/710325282.db2.gz NYCYGHGLCBGNRL-BRWVUGGUSA-N 2 0 346.475 1.842 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001003625284 710454348 /nfs/dbraw/zinc/45/43/48/710454348.db2.gz DWRZAZOKPJBRBR-HNNXBMFYSA-N 2 0 347.507 1.422 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)C1 ZINC001003631212 710460329 /nfs/dbraw/zinc/46/03/29/710460329.db2.gz UKNHGBKEFYJAHY-OXQOHEQNSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1nncn1C ZINC001034673924 710613693 /nfs/dbraw/zinc/61/36/93/710613693.db2.gz HDZVNOKQRBWGRN-FPCVCCKLSA-N 2 0 348.495 1.377 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034735624 710921047 /nfs/dbraw/zinc/92/10/47/710921047.db2.gz JMLCELOBMINFLX-ULQDDVLXSA-N 2 0 333.480 1.384 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034736578 710924303 /nfs/dbraw/zinc/92/43/03/710924303.db2.gz XDTXZGLATLEKIN-BZUAXINKSA-N 2 0 348.495 1.299 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001034737564 710950291 /nfs/dbraw/zinc/95/02/91/710950291.db2.gz MPEUNPMMVVXIIM-RRCSTGOVSA-N 2 0 349.479 1.940 20 0 EDADRP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)nn1 ZINC001034794693 711111758 /nfs/dbraw/zinc/11/17/58/711111758.db2.gz PCJOBOQKCGKWMP-WKILWMFISA-N 2 0 348.495 1.472 20 0 EDADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1)C(N)=O ZINC001034795939 711115706 /nfs/dbraw/zinc/11/57/06/711115706.db2.gz YSPITEHSZQMYDB-YHUYYLMFSA-N 2 0 338.496 1.142 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034792431 711119290 /nfs/dbraw/zinc/11/92/90/711119290.db2.gz JPOODKXODSIPLX-QKPAOTATSA-N 2 0 331.464 1.506 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034792415 711119624 /nfs/dbraw/zinc/11/96/24/711119624.db2.gz JCZNWPLXHRTVEQ-LXTVHRRPSA-N 2 0 349.479 1.662 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034796581 711128636 /nfs/dbraw/zinc/12/86/36/711128636.db2.gz JSSQMDTXRDCSQX-LDKKBFSKSA-N 2 0 348.495 1.205 20 0 EDADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC001034823624 711225249 /nfs/dbraw/zinc/22/52/49/711225249.db2.gz XGRPMCKNKPPNMV-GOSISDBHSA-N 2 0 333.476 1.910 20 0 EDADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740701 711274981 /nfs/dbraw/zinc/27/49/81/711274981.db2.gz FYQNATJQKSSEIH-KGXSXCIVSA-N 2 0 349.519 1.819 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034882563 711283656 /nfs/dbraw/zinc/28/36/56/711283656.db2.gz BCSCRIWQIUNSPR-CVEARBPZSA-N 2 0 332.448 1.265 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1 ZINC001034884853 711288999 /nfs/dbraw/zinc/28/89/99/711288999.db2.gz MGZWFDCTBRMNPB-QZTJIDSGSA-N 2 0 331.460 1.354 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034935975 711364436 /nfs/dbraw/zinc/36/44/36/711364436.db2.gz FRGSKVKITLCLPV-CVEARBPZSA-N 2 0 334.464 1.936 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001034942568 711395781 /nfs/dbraw/zinc/39/57/81/711395781.db2.gz YMGJJEPKABJHOF-CABCVRRESA-N 2 0 334.489 1.566 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)on1 ZINC001034956520 711426715 /nfs/dbraw/zinc/42/67/15/711426715.db2.gz AIGWNRVKXBGWPT-CYBMUJFWSA-N 2 0 336.436 1.248 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1c(C)nnn1CC)[NH+](C)C ZINC001034971032 711450860 /nfs/dbraw/zinc/45/08/60/711450860.db2.gz BGLLAMUAZYANKX-HUUCEWRRSA-N 2 0 336.484 1.027 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(CCF)c3)C2)[C@@H]1C(C)C ZINC000922392091 711457472 /nfs/dbraw/zinc/45/74/72/711457472.db2.gz CTTXQWXQABYYNN-BDXSIMOUSA-N 2 0 338.471 1.812 20 0 EDADRP Cc1nnc([C@H](C)N2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC001004146617 711557237 /nfs/dbraw/zinc/55/72/37/711557237.db2.gz YVPGZOPCMYMRPN-AAEUAGOBSA-N 2 0 337.493 1.440 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004520753 711919867 /nfs/dbraw/zinc/91/98/67/711919867.db2.gz JAGSKCNEFTVVNF-KRWDZBQOSA-N 2 0 349.475 1.650 20 0 EDADRP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946623159 711921639 /nfs/dbraw/zinc/92/16/39/711921639.db2.gz FHNNGYDLIFEXAK-ZIFCJYIRSA-N 2 0 349.519 1.556 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033140855 711940665 /nfs/dbraw/zinc/94/06/65/711940665.db2.gz JXCWYTGDOHCWQY-MSOLQXFVSA-N 2 0 337.508 1.963 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615890 712075601 /nfs/dbraw/zinc/07/56/01/712075601.db2.gz IVDUSMSHUMFEKR-AEFFLSMTSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2[nH]c(=O)[nH]c21 ZINC000557628336 306231329 /nfs/dbraw/zinc/23/13/29/306231329.db2.gz UVMUBBSUMLLXJQ-UHFFFAOYSA-N 2 0 347.463 1.614 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248040610 282142139 /nfs/dbraw/zinc/14/21/39/282142139.db2.gz LXUPWAQYZRADNY-SOLBZPMBSA-N 2 0 334.464 1.044 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21)Cc1ccccc1 ZINC000353684735 282241235 /nfs/dbraw/zinc/24/12/35/282241235.db2.gz BTFTYIQDSLOFND-QYZOEREBSA-N 2 0 344.503 1.895 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1cccc(F)c1 ZINC000133370075 282238588 /nfs/dbraw/zinc/23/85/88/282238588.db2.gz MEJCQHBYMXZJOK-HUUCEWRRSA-N 2 0 325.453 1.640 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000102061519 219184223 /nfs/dbraw/zinc/18/42/23/219184223.db2.gz AEDVNNDWFYFAPE-UHFFFAOYSA-N 2 0 326.485 1.080 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000067002506 215102384 /nfs/dbraw/zinc/10/23/84/215102384.db2.gz ILNXNIZZZMSESO-UHFFFAOYSA-N 2 0 347.507 1.450 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-n2cnnn2)c1 ZINC000150946575 539726365 /nfs/dbraw/zinc/72/63/65/539726365.db2.gz JOGXJVRHIJJJIK-HNNXBMFYSA-N 2 0 343.479 1.339 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000562428021 306298312 /nfs/dbraw/zinc/29/83/12/306298312.db2.gz PTTMODPKYUGDOI-MOPGFXCFSA-N 2 0 347.503 1.088 20 0 EDADRP CCOC(=O)C1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000442891337 305230369 /nfs/dbraw/zinc/23/03/69/305230369.db2.gz RBBFXQJCDHHLSV-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000182516027 234649166 /nfs/dbraw/zinc/64/91/66/234649166.db2.gz IOALKBLKDIYHJH-IBGZPJMESA-N 2 0 347.503 1.370 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000412850982 304041884 /nfs/dbraw/zinc/04/18/84/304041884.db2.gz VHZYNHUOTIOUDW-GOSISDBHSA-N 2 0 344.503 1.799 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000165928525 540074301 /nfs/dbraw/zinc/07/43/01/540074301.db2.gz OLWNTQQLBAVBSA-PBHICJAKSA-N 2 0 332.452 1.670 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183700931 540139911 /nfs/dbraw/zinc/13/99/11/540139911.db2.gz PFLZXPLWUPUJCN-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP CC(C)[NH+](C)CCNc1cc(NCC[N@@H+](C)C(C)C)nc2ncnn21 ZINC000192556473 540179717 /nfs/dbraw/zinc/17/97/17/540179717.db2.gz NFVOBXODMWGWAP-UHFFFAOYSA-N 2 0 348.499 1.629 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000373373166 299233843 /nfs/dbraw/zinc/23/38/43/299233843.db2.gz NWJQKDVSDGEBMM-ULQDDVLXSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)C1 ZINC000413054945 304053190 /nfs/dbraw/zinc/05/31/90/304053190.db2.gz RUXMANJZXBAVSO-DOTOQJQBSA-N 2 0 334.464 1.691 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)CCO1 ZINC000124068311 138323484 /nfs/dbraw/zinc/32/34/84/138323484.db2.gz PDSRRPICKASDIF-CRAIPNDOSA-N 2 0 335.492 1.573 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000130697586 138345877 /nfs/dbraw/zinc/34/58/77/138345877.db2.gz KYLNHPQQLBDELQ-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000133159001 138389328 /nfs/dbraw/zinc/38/93/28/138389328.db2.gz YYVZAMYXDJIAJG-CVEARBPZSA-N 2 0 325.497 1.722 20 0 EDADRP CN1CCN(C(=O)NCCc2ccccc2C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000563798318 306347458 /nfs/dbraw/zinc/34/74/58/306347458.db2.gz WASHVYAOFTYMPK-ZDUSSCGKSA-N 2 0 344.381 1.532 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)CCC(=O)N2C ZINC000187223008 236150921 /nfs/dbraw/zinc/15/09/21/236150921.db2.gz IILSJJHOTSNSEM-OAHLLOKOSA-N 2 0 330.476 1.321 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000563874580 306350886 /nfs/dbraw/zinc/35/08/86/306350886.db2.gz LXEOGZHTXDHHBD-QGZVFWFLSA-N 2 0 344.459 1.207 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C[NH+]1CCCC1 ZINC000187630030 236264903 /nfs/dbraw/zinc/26/49/03/236264903.db2.gz ZTECGWAUJFJZMN-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563889600 306351597 /nfs/dbraw/zinc/35/15/97/306351597.db2.gz PPORCZQBFCMOAI-INIZCTEOSA-N 2 0 331.460 1.576 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](CC)C2)C[C@@H]1CC ZINC000413829861 304079152 /nfs/dbraw/zinc/07/91/52/304079152.db2.gz FMJQCSJGDVVIAY-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000413836909 304079969 /nfs/dbraw/zinc/07/99/69/304079969.db2.gz LYHZJYJAZKVFRE-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H](O)[C@@H]1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)ncn2)C1 ZINC000564544335 306360269 /nfs/dbraw/zinc/36/02/69/306360269.db2.gz INRPUADYSMJTOE-UKRRQHHQSA-N 2 0 338.415 1.944 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000564562481 306360755 /nfs/dbraw/zinc/36/07/55/306360755.db2.gz GZQAZGFNUPVQBG-RLLQIKCJSA-N 2 0 348.487 1.702 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333281877 291188369 /nfs/dbraw/zinc/18/83/69/291188369.db2.gz MPZPOFAXXJESQN-MUQADHOPSA-N 2 0 347.507 1.650 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000173948316 237270656 /nfs/dbraw/zinc/27/06/56/237270656.db2.gz WMWPUASYZCYKNA-UHFFFAOYSA-N 2 0 344.463 1.698 20 0 EDADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000564949356 306371090 /nfs/dbraw/zinc/37/10/90/306371090.db2.gz HYNBUTOLHRPMCV-SJLPKXTDSA-N 2 0 330.476 1.881 20 0 EDADRP [NH3+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000564949354 306371132 /nfs/dbraw/zinc/37/11/32/306371132.db2.gz HYNBUTOLHRPMCV-AEFFLSMTSA-N 2 0 330.476 1.881 20 0 EDADRP [NH3+]CCC1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000565096520 306375486 /nfs/dbraw/zinc/37/54/86/306375486.db2.gz SRKQZQONBXOUMV-UHFFFAOYSA-N 2 0 332.448 1.463 20 0 EDADRP C[C@H](NC(=O)N1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000565352668 306382013 /nfs/dbraw/zinc/38/20/13/306382013.db2.gz MFPCLCWNPGXOAJ-AWEZNQCLSA-N 2 0 349.454 1.253 20 0 EDADRP C[C@@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000565949056 306395275 /nfs/dbraw/zinc/39/52/75/306395275.db2.gz LDZVTPOIFSAQBQ-IRXDYDNUSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)N1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000566091331 306398477 /nfs/dbraw/zinc/39/84/77/306398477.db2.gz YRCDZBFRGQKYKE-SIXWZSSISA-N 2 0 329.444 1.841 20 0 EDADRP CC(C)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(F)c(F)c1 ZINC000414706952 304130966 /nfs/dbraw/zinc/13/09/66/304130966.db2.gz LVUPSNFZGVLFMJ-LBPRGKRZSA-N 2 0 325.403 1.987 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC[NH2+]C)CC1 ZINC000414735356 304135052 /nfs/dbraw/zinc/13/50/52/304135052.db2.gz XKNDFXLNUFFMGM-UHFFFAOYSA-N 2 0 339.871 1.823 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000414737932 304134870 /nfs/dbraw/zinc/13/48/70/304134870.db2.gz OQEZDZICIYFLKT-KRWDZBQOSA-N 2 0 346.475 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000414742382 304135673 /nfs/dbraw/zinc/13/56/73/304135673.db2.gz TZCASVYTANWNIX-UHFFFAOYSA-N 2 0 331.464 1.782 20 0 EDADRP COc1ccc2c(c1OC)CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000414759741 304137951 /nfs/dbraw/zinc/13/79/51/304137951.db2.gz PBNBXSWMQUDMMP-AWEZNQCLSA-N 2 0 347.459 1.259 20 0 EDADRP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414785538 304140337 /nfs/dbraw/zinc/14/03/37/304140337.db2.gz VOGHFQQBEJRFEC-QGZVFWFLSA-N 2 0 332.492 1.009 20 0 EDADRP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892512 296120441 /nfs/dbraw/zinc/12/04/41/296120441.db2.gz SHTHFYUSOLFKMV-CQSZACIVSA-N 2 0 337.489 1.849 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000414841362 304146926 /nfs/dbraw/zinc/14/69/26/304146926.db2.gz NSTIYNAFHCCRNP-OAHLLOKOSA-N 2 0 349.475 1.689 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758971 284124849 /nfs/dbraw/zinc/12/48/49/284124849.db2.gz KAJIKGBQDWDEOW-NWANDNLSSA-N 2 0 342.434 1.642 20 0 EDADRP CCn1nc(C)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414989566 304148906 /nfs/dbraw/zinc/14/89/06/304148906.db2.gz QPXIBWZQLRSGMX-CQSZACIVSA-N 2 0 333.402 1.446 20 0 EDADRP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415050239 304154853 /nfs/dbraw/zinc/15/48/53/304154853.db2.gz BMMLSCNXPGGFCA-OAHLLOKOSA-N 2 0 345.447 1.139 20 0 EDADRP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@H](O)C[NH3+] ZINC000415070939 304157112 /nfs/dbraw/zinc/15/71/12/304157112.db2.gz RSIITBLZBATCHA-CYBMUJFWSA-N 2 0 328.338 1.643 20 0 EDADRP COCCC(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000415078563 304158302 /nfs/dbraw/zinc/15/83/02/304158302.db2.gz IWTCPWPWLVRJEG-NVXWUHKLSA-N 2 0 325.497 1.914 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CCc2ccc(F)cc2Cl)C1 ZINC000415094682 304159224 /nfs/dbraw/zinc/15/92/24/304159224.db2.gz XQOCPTQBLPXUTL-GFCCVEGCSA-N 2 0 327.831 1.809 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104262 304160519 /nfs/dbraw/zinc/16/05/19/304160519.db2.gz KOJKKMYUGITERM-YOEHRIQHSA-N 2 0 341.459 1.897 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415120692 304161639 /nfs/dbraw/zinc/16/16/39/304161639.db2.gz LWEPVPAEAXJWBK-WBVHZDCISA-N 2 0 330.476 1.795 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC[C@@H]2CCC[NH2+]C2)C1 ZINC000415120688 304161693 /nfs/dbraw/zinc/16/16/93/304161693.db2.gz LWEPVPAEAXJWBK-NVXWUHKLSA-N 2 0 330.476 1.795 20 0 EDADRP COc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(OC)c1 ZINC000415123947 304161925 /nfs/dbraw/zinc/16/19/25/304161925.db2.gz BONIACWTBRXANN-MSOLQXFVSA-N 2 0 332.444 1.904 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415123147 304162244 /nfs/dbraw/zinc/16/22/44/304162244.db2.gz ACBZSAMNLKERJS-KRWDZBQOSA-N 2 0 327.476 1.855 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cn1 ZINC000415123148 304162136 /nfs/dbraw/zinc/16/21/36/304162136.db2.gz JBGBHLMJIOIYEH-MRXNPFEDSA-N 2 0 329.452 1.425 20 0 EDADRP Cc1c(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000415138403 304163509 /nfs/dbraw/zinc/16/35/09/304163509.db2.gz VCQMRGMEZBUPNE-UHFFFAOYSA-N 2 0 327.476 1.812 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000236986223 139037191 /nfs/dbraw/zinc/03/71/91/139037191.db2.gz FVZGAGHSFFAIOJ-VQIMIIECSA-N 2 0 346.519 1.814 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415179287 304171582 /nfs/dbraw/zinc/17/15/82/304171582.db2.gz LCJXWXCAQFECEO-QGZVFWFLSA-N 2 0 344.459 1.214 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)CC(C)(C)[NH3+])CC2)C[C@H](C)O1 ZINC000237663500 139057398 /nfs/dbraw/zinc/05/73/98/139057398.db2.gz NAHYKYAIVHIZCB-GJZGRUSLSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)C[NH+]1CCCCC1 ZINC000111834931 220202083 /nfs/dbraw/zinc/20/20/83/220202083.db2.gz KMJZBPHJBWEYHQ-INIZCTEOSA-N 2 0 340.512 1.112 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000238088586 139068596 /nfs/dbraw/zinc/06/85/96/139068596.db2.gz PZXWZTRZCCONPE-ROUUACIJSA-N 2 0 347.528 1.762 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)C1CCCC1 ZINC000111858156 220211044 /nfs/dbraw/zinc/21/10/44/220211044.db2.gz UJGFVBLXXCCLPA-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C[C@@H](C)C1 ZINC000415246700 304178467 /nfs/dbraw/zinc/17/84/67/304178467.db2.gz XQJKISCFVOMGSK-ZQIUZPCESA-N 2 0 344.459 1.273 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)[C@@H](C)C1 ZINC000246264155 139101609 /nfs/dbraw/zinc/10/16/09/139101609.db2.gz ABJGBTLLZMRREI-XHSDSOJGSA-N 2 0 332.496 1.807 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000415330498 304196111 /nfs/dbraw/zinc/19/61/11/304196111.db2.gz ZGSWDXPRGJRSGM-QGZVFWFLSA-N 2 0 344.459 1.084 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1 ZINC000415366017 304205024 /nfs/dbraw/zinc/20/50/24/304205024.db2.gz VLFNZFNZENNBBW-HNNXBMFYSA-N 2 0 332.448 1.274 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c1)C1CC1 ZINC000415381631 304209609 /nfs/dbraw/zinc/20/96/09/304209609.db2.gz NZXVXGAJUWTTNA-UHFFFAOYSA-N 2 0 332.448 1.115 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000424139218 296280027 /nfs/dbraw/zinc/28/00/27/296280027.db2.gz FATNMDYQRPTJOX-CVEARBPZSA-N 2 0 346.479 1.151 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1ccccc1 ZINC000249378592 139192031 /nfs/dbraw/zinc/19/20/31/139192031.db2.gz ZEEFXTRYFFPNNX-KURKYZTESA-N 2 0 333.476 1.498 20 0 EDADRP COCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261551744 139208846 /nfs/dbraw/zinc/20/88/46/139208846.db2.gz XFWFPFVHBBGIDY-SFHVURJKSA-N 2 0 345.487 1.783 20 0 EDADRP Cc1[nH]nc2ncc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc12 ZINC000261681919 139217051 /nfs/dbraw/zinc/21/70/51/139217051.db2.gz AJHGGLFVSAVKHL-AWEZNQCLSA-N 2 0 330.436 1.086 20 0 EDADRP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCOCC1 ZINC000261705251 139219217 /nfs/dbraw/zinc/21/92/17/139219217.db2.gz IJHATZNNFVYTPA-GOSISDBHSA-N 2 0 331.460 1.653 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000261715712 139219860 /nfs/dbraw/zinc/21/98/60/139219860.db2.gz LMUGRHDPKNYLAA-IXDOHACOSA-N 2 0 343.537 1.701 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc(Br)cn3)C[C@H]12 ZINC000261756364 139223530 /nfs/dbraw/zinc/22/35/30/139223530.db2.gz NHEXZQHTCNAFLU-ZMLRMANQSA-N 2 0 339.237 1.452 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261779420 139225429 /nfs/dbraw/zinc/22/54/29/139225429.db2.gz PFBUHIFTONSFMA-NHYWBVRUSA-N 2 0 340.265 1.691 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000261772497 139224597 /nfs/dbraw/zinc/22/45/97/139224597.db2.gz XBIOHPFLFPRQGD-CYBMUJFWSA-N 2 0 345.365 1.872 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261875719 139233196 /nfs/dbraw/zinc/23/31/96/139233196.db2.gz SSOWCOFFYUGWIN-ZETOZRRWSA-N 2 0 340.265 1.819 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261929561 139238053 /nfs/dbraw/zinc/23/80/53/139238053.db2.gz ZUACKKJLQWNLPX-ZBINZKHDSA-N 2 0 340.265 1.880 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261951674 139239470 /nfs/dbraw/zinc/23/94/70/139239470.db2.gz HQIDYKLSRRDRDK-GXTWGEPZSA-N 2 0 326.238 1.443 20 0 EDADRP CCCOc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262128110 139253226 /nfs/dbraw/zinc/25/32/26/139253226.db2.gz NLRCDNOFHSMDMH-KRWDZBQOSA-N 2 0 333.476 1.964 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262129585 139253444 /nfs/dbraw/zinc/25/34/44/139253444.db2.gz GKEHTBKEZXIQNX-IAGOWNOFSA-N 2 0 337.508 1.855 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCOCC1 ZINC000262135129 139253920 /nfs/dbraw/zinc/25/39/20/139253920.db2.gz GTXAKUILFRWITP-CQSZACIVSA-N 2 0 337.489 1.757 20 0 EDADRP COc1ccccc1-n1nccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262146906 139255101 /nfs/dbraw/zinc/25/51/01/139255101.db2.gz QMJDPGICWJAFCW-INIZCTEOSA-N 2 0 341.459 1.360 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCC2)cc1 ZINC000415552323 251006047 /nfs/dbraw/zinc/00/60/47/251006047.db2.gz AMDKLEWZCUBXSM-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)ccc1C[NH+](C)C ZINC000415555975 251010254 /nfs/dbraw/zinc/01/02/54/251010254.db2.gz IAIFSJQJSHRVTN-KGLIPLIRSA-N 2 0 332.448 1.204 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc1 ZINC000416011698 251046120 /nfs/dbraw/zinc/04/61/20/251046120.db2.gz QBPVGZFISNYJDA-AWEZNQCLSA-N 2 0 334.464 1.715 20 0 EDADRP COCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000262293579 139267334 /nfs/dbraw/zinc/26/73/34/139267334.db2.gz WJGDZXVPCRCWAL-GOSISDBHSA-N 2 0 345.487 1.956 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(CC[NH3+])Cc2ccccc2)C1 ZINC000416875103 251115669 /nfs/dbraw/zinc/11/56/69/251115669.db2.gz USOJPJKIUZBDNV-GOSISDBHSA-N 2 0 348.491 1.514 20 0 EDADRP COCC1(CNC(=O)NCCC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000416876510 251116242 /nfs/dbraw/zinc/11/62/42/251116242.db2.gz SRISFCBDHZJDNE-UHFFFAOYSA-N 2 0 340.512 1.424 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417088488 251141602 /nfs/dbraw/zinc/14/16/02/251141602.db2.gz HHBZKBJZUSUNNO-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000417203194 251146260 /nfs/dbraw/zinc/14/62/60/251146260.db2.gz YLHANDYQNHQAKI-KURKYZTESA-N 2 0 330.476 1.410 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000417408553 251164586 /nfs/dbraw/zinc/16/45/86/251164586.db2.gz UMVCYYROLWHDPH-MSOLQXFVSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000262342523 139271693 /nfs/dbraw/zinc/27/16/93/139271693.db2.gz IBOGSTXARHPWOX-LPHOPBHVSA-N 2 0 345.487 1.913 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000417535924 251184511 /nfs/dbraw/zinc/18/45/11/251184511.db2.gz CMLPAXVARFFJIO-UHFFFAOYSA-N 2 0 328.501 1.693 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000417543534 251185207 /nfs/dbraw/zinc/18/52/07/251185207.db2.gz LJFYWQXMAQTISI-MAUKXSAKSA-N 2 0 347.507 1.184 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417541804 251185228 /nfs/dbraw/zinc/18/52/28/251185228.db2.gz YYAMCKXAAAWMFK-HZPDHXFCSA-N 2 0 340.512 1.789 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417578136 251195503 /nfs/dbraw/zinc/19/55/03/251195503.db2.gz KYLYSHXQQODKLO-CGTJXYLNSA-N 2 0 348.491 1.655 20 0 EDADRP C[C@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])C1CC[NH2+]CC1 ZINC000262402703 139276622 /nfs/dbraw/zinc/27/66/22/139276622.db2.gz MPDGKQUMWJOBRA-CYBMUJFWSA-N 2 0 332.448 1.339 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000417623624 251209372 /nfs/dbraw/zinc/20/93/72/251209372.db2.gz JZLFELLZJTZEJK-GDBMZVCRSA-N 2 0 334.464 1.485 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[NH2+]1 ZINC000262432381 139278613 /nfs/dbraw/zinc/27/86/13/139278613.db2.gz WSDVIPUDSXNABO-KBPBESRZSA-N 2 0 332.448 1.903 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000417700185 251233912 /nfs/dbraw/zinc/23/39/12/251233912.db2.gz GOZSEGKADMEFRN-OAHLLOKOSA-N 2 0 338.496 1.543 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262441487 139279251 /nfs/dbraw/zinc/27/92/51/139279251.db2.gz UXJMGPWFDBLDRL-MRXNPFEDSA-N 2 0 349.500 1.861 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000262422557 139278057 /nfs/dbraw/zinc/27/80/57/139278057.db2.gz RWXYQPDWYFTRKV-SFYZZRBRSA-N 2 0 336.524 1.282 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)(C)C ZINC000417681744 251226054 /nfs/dbraw/zinc/22/60/54/251226054.db2.gz QOCCMOFAZKRVCD-HZPDHXFCSA-N 2 0 339.528 1.042 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417687031 251227767 /nfs/dbraw/zinc/22/77/67/251227767.db2.gz UXOQYIXINUSQFS-VYDXJSESSA-N 2 0 338.496 1.304 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417761454 251259489 /nfs/dbraw/zinc/25/94/89/251259489.db2.gz ZCGMEOWRRDVMSQ-SJORKVTESA-N 2 0 339.528 1.091 20 0 EDADRP CO[C@H]1CCN(C(=O)NCCCCC[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000417723257 251242550 /nfs/dbraw/zinc/24/25/50/251242550.db2.gz ZWTVIJFIWGGYHE-SJORKVTESA-N 2 0 340.512 1.790 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC([C@@H](C)[NH3+])CC2)CC1 ZINC000417814617 251280351 /nfs/dbraw/zinc/28/03/51/251280351.db2.gz RYIADMFACBHAPF-OAHLLOKOSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000418110485 251325160 /nfs/dbraw/zinc/32/51/60/251325160.db2.gz FESZAZMDZKPUBA-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418424102 251366594 /nfs/dbraw/zinc/36/65/94/251366594.db2.gz KABPBQDUMCGNPC-RDJZCZTQSA-N 2 0 340.512 1.646 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000418476180 251373363 /nfs/dbraw/zinc/37/33/63/251373363.db2.gz SDUNKBSICKNFNC-OAHLLOKOSA-N 2 0 328.501 1.361 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000418152962 251345600 /nfs/dbraw/zinc/34/56/00/251345600.db2.gz UKRMDKZBAIIVGY-MSOLQXFVSA-N 2 0 346.475 1.266 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000418162661 251350451 /nfs/dbraw/zinc/35/04/51/251350451.db2.gz GMACPRNRTQGFAJ-GOSISDBHSA-N 2 0 346.475 1.696 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418720149 251397228 /nfs/dbraw/zinc/39/72/28/251397228.db2.gz LGELOZDINZUTRL-JKSUJKDBSA-N 2 0 328.501 1.504 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418755033 251414165 /nfs/dbraw/zinc/41/41/65/251414165.db2.gz WZNRBSCHYXDHOP-CQSZACIVSA-N 2 0 332.439 1.891 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418638332 251382165 /nfs/dbraw/zinc/38/21/65/251382165.db2.gz KNJVECVKCWPUQV-SJLPKXTDSA-N 2 0 332.492 1.955 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418689092 251385920 /nfs/dbraw/zinc/38/59/20/251385920.db2.gz UVWCKTYLLRKHEQ-BPQIPLTHSA-N 2 0 330.476 1.725 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262633335 139291675 /nfs/dbraw/zinc/29/16/75/139291675.db2.gz GIGKMHIFHQIPKS-APWZRJJASA-N 2 0 344.503 1.568 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262658970 139293757 /nfs/dbraw/zinc/29/37/57/139293757.db2.gz DXZPPFHXPDRYEI-AYHJJNSGSA-N 2 0 335.492 1.478 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262664695 139294433 /nfs/dbraw/zinc/29/44/33/139294433.db2.gz INQGYKPRDWUOCH-GOSISDBHSA-N 2 0 334.464 1.112 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262666738 139294806 /nfs/dbraw/zinc/29/48/06/139294806.db2.gz KRGBSIKRLHWDJN-ZWKOTPCHSA-N 2 0 333.476 1.676 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)[C@H](C)C1 ZINC000262738580 139300093 /nfs/dbraw/zinc/30/00/93/139300093.db2.gz IUGQBKFWMJZSOR-INMHGKMJSA-N 2 0 333.480 1.610 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894930 252015419 /nfs/dbraw/zinc/01/54/19/252015419.db2.gz DMXVPFGLOHWXPK-HSALFYBXSA-N 3 0 347.503 1.874 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000422899364 252017431 /nfs/dbraw/zinc/01/74/31/252017431.db2.gz HHJZVXKSXLLWSB-LPHOPBHVSA-N 2 0 335.492 1.751 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000422856257 252001388 /nfs/dbraw/zinc/00/13/88/252001388.db2.gz FVBFXKYITBMUCL-ROUUACIJSA-N 2 0 333.476 1.910 20 0 EDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059023 252031110 /nfs/dbraw/zinc/03/11/10/252031110.db2.gz DUQNHLIGVMBEMV-GJZGRUSLSA-N 2 0 336.480 1.881 20 0 EDADRP C[C@](CO)(C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423072287 252035256 /nfs/dbraw/zinc/03/52/56/252035256.db2.gz IXXKPBPMJGTDAH-UAFMIMERSA-N 2 0 332.488 1.974 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cn(CCCC[NH3+])nn2)([NH+](C)C)C1 ZINC000423353238 252050449 /nfs/dbraw/zinc/05/04/49/252050449.db2.gz LKTYXJDAIHBPHY-RHSMWYFYSA-N 2 0 336.484 1.257 20 0 EDADRP C[C@@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422911216 252019802 /nfs/dbraw/zinc/01/98/02/252019802.db2.gz KJEMAGVEFCHWRR-QZTJIDSGSA-N 2 0 344.503 1.703 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422911779 252020577 /nfs/dbraw/zinc/02/05/77/252020577.db2.gz LLQGTJDIVSKAPV-ZWKOTPCHSA-N 2 0 332.492 1.728 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000424005349 252112855 /nfs/dbraw/zinc/11/28/55/252112855.db2.gz STCAIBFWMAQPNW-AEFFLSMTSA-N 2 0 344.503 1.885 20 0 EDADRP CC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424028819 252120702 /nfs/dbraw/zinc/12/07/02/252120702.db2.gz XHGBHAYRGBQIIF-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@H]([NH3+])c1ccccc1 ZINC000424035181 252122153 /nfs/dbraw/zinc/12/21/53/252122153.db2.gz DVGRDGWKAKCMED-RANZSIQMSA-N 2 0 343.471 1.550 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424043933 252123807 /nfs/dbraw/zinc/12/38/07/252123807.db2.gz RBXLSYDPZMDTHK-RHSMWYFYSA-N 2 0 345.491 1.727 20 0 EDADRP Cn1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424151841 252145141 /nfs/dbraw/zinc/14/51/41/252145141.db2.gz GGUNXSGXOMVMJJ-HNNXBMFYSA-N 2 0 345.491 1.493 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424148922 252145578 /nfs/dbraw/zinc/14/55/78/252145578.db2.gz VFLXZUOUDCEXMB-LSDHHAIUSA-N 2 0 333.480 1.681 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3cn[nH]c3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000424154494 252147766 /nfs/dbraw/zinc/14/77/66/252147766.db2.gz MNQIBSHADQIBNI-AAEUAGOBSA-N 2 0 340.431 1.340 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424156172 252148087 /nfs/dbraw/zinc/14/80/87/252148087.db2.gz NUPMQZSFMRAUQG-INIZCTEOSA-N 2 0 342.447 1.559 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180288 252154513 /nfs/dbraw/zinc/15/45/13/252154513.db2.gz NXCIITUZBPAEHA-DLBZAZTESA-N 2 0 325.497 1.853 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCC1 ZINC000424199526 252160368 /nfs/dbraw/zinc/16/03/68/252160368.db2.gz YWFIZCMHAFWKFD-OAHLLOKOSA-N 2 0 334.468 1.149 20 0 EDADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424222093 252167851 /nfs/dbraw/zinc/16/78/51/252167851.db2.gz IFQXDZHMXCVWST-CJNGLKHVSA-N 2 0 331.464 1.557 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000424129709 252134477 /nfs/dbraw/zinc/13/44/77/252134477.db2.gz GNPIIYSWCBCDRB-HOTGVXAUSA-N 2 0 346.479 1.293 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)c3ccccc3C[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424229157 252173158 /nfs/dbraw/zinc/17/31/58/252173158.db2.gz WHJFCAUJCFSRGE-DLBZAZTESA-N 2 0 327.432 1.049 20 0 EDADRP [NH3+]C[C@@H](CN1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424303900 252193534 /nfs/dbraw/zinc/19/35/34/252193534.db2.gz PPPOECAMPKWDJQ-KRWDZBQOSA-N 2 0 348.466 1.108 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303686 252194333 /nfs/dbraw/zinc/19/43/33/252194333.db2.gz OQDWMJMBEIDZSO-CRAIPNDOSA-N 3 0 337.483 1.893 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000424464076 252238657 /nfs/dbraw/zinc/23/86/57/252238657.db2.gz IMVJPNJMEMGNNA-CJNGLKHVSA-N 2 0 330.432 1.087 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC000424435371 252230548 /nfs/dbraw/zinc/23/05/48/252230548.db2.gz GGKGCWIDHQPCLM-QGZVFWFLSA-N 2 0 346.475 1.629 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424442525 252233708 /nfs/dbraw/zinc/23/37/08/252233708.db2.gz ALVUNGPFPTUOGI-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424473349 252244566 /nfs/dbraw/zinc/24/45/66/252244566.db2.gz WFLNVEPKNZDAIG-YOEHRIQHSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424479888 252248507 /nfs/dbraw/zinc/24/85/07/252248507.db2.gz PHQNLGRBEVCRDI-HZPDHXFCSA-N 2 0 349.479 1.481 20 0 EDADRP O=C(C[N@H+]1CCC[C@H]1CCO)Nc1ccc(CN2CCOCC2)cc1 ZINC000426203569 252323797 /nfs/dbraw/zinc/32/37/97/252323797.db2.gz KSWIJEILYUBCHP-SFHVURJKSA-N 2 0 347.459 1.304 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])ccn2)CC1 ZINC000263084568 139321554 /nfs/dbraw/zinc/32/15/54/139321554.db2.gz XUVVGRVUQWTZNV-QFBILLFUSA-N 2 0 345.491 1.357 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000246019589 285009605 /nfs/dbraw/zinc/00/96/05/285009605.db2.gz UVCXAZYZZAIOPR-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000344061035 285054569 /nfs/dbraw/zinc/05/45/69/285054569.db2.gz IHSIPMHTLKGNDF-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CN(C(=O)[C@H]1C[C@]12CC[NH2+]C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444185459 254587935 /nfs/dbraw/zinc/58/79/35/254587935.db2.gz QINIMGJWAYSRHZ-QUCCMNQESA-N 2 0 342.487 1.547 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CCn3ccnc3)cc2)CC1 ZINC000263707219 139354401 /nfs/dbraw/zinc/35/44/01/139354401.db2.gz UHHUTDNXVZYHFU-UHFFFAOYSA-N 2 0 341.459 1.337 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000154083662 224200674 /nfs/dbraw/zinc/20/06/74/224200674.db2.gz RASMUYBRPGQQJZ-CALCHBBNSA-N 2 0 330.476 1.408 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1Cc2ccccc2O1 ZINC000337584875 285248373 /nfs/dbraw/zinc/24/83/73/285248373.db2.gz QZBAYYTZUGXKNN-IEBWSBKVSA-N 2 0 345.487 1.865 20 0 EDADRP CCOC(=O)N1CCC([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000493539357 255214425 /nfs/dbraw/zinc/21/44/25/255214425.db2.gz VHNCDHAEBJLMAZ-UHFFFAOYSA-N 2 0 327.469 1.432 20 0 EDADRP C[C@@]1(CO)CCC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@]2(C)CO)COC1 ZINC000493649569 255218432 /nfs/dbraw/zinc/21/84/32/255218432.db2.gz AFNMEHLTVZVLKV-FZDBZEDMSA-N 2 0 340.508 1.284 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000495336889 255281669 /nfs/dbraw/zinc/28/16/69/255281669.db2.gz NVFCBKPNKONSKA-QAPCUYQASA-N 2 0 341.496 1.680 20 0 EDADRP Fc1cncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000494591153 255255156 /nfs/dbraw/zinc/25/51/56/255255156.db2.gz IKLRNNVZIOQEQN-UHFFFAOYSA-N 2 0 329.423 1.918 20 0 EDADRP CCN(C)CC[NH2+][C@@H]1CCOC[C@@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000496272720 255373262 /nfs/dbraw/zinc/37/32/62/255373262.db2.gz IHVLCZOTSNTVQK-RRFJBIMHSA-N 2 0 329.485 1.846 20 0 EDADRP O=C(NCCCC[N@H+]1CCC[C@H]1CO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415886416 304284468 /nfs/dbraw/zinc/28/44/68/304284468.db2.gz UVFIJFMMJCNDKV-SFHVURJKSA-N 2 0 346.475 1.691 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000416238054 304298853 /nfs/dbraw/zinc/29/88/53/304298853.db2.gz GTBLBAQNGJXLFR-ROUUACIJSA-N 2 0 333.476 1.642 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@H](C)O1 ZINC000331907236 141096497 /nfs/dbraw/zinc/09/64/97/141096497.db2.gz LMCFPKZAYAJIOV-JZXOWHBKSA-N 2 0 336.480 1.065 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000332176006 141135475 /nfs/dbraw/zinc/13/54/75/141135475.db2.gz XHNIWWMUMKEOOR-HNNXBMFYSA-N 2 0 331.464 1.702 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000332182415 141136429 /nfs/dbraw/zinc/13/64/29/141136429.db2.gz ZCQROPMAXALHLK-GDBMZVCRSA-N 2 0 331.464 1.558 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000332551001 141201717 /nfs/dbraw/zinc/20/17/17/141201717.db2.gz PMDGFTFYNLUYKX-KGLIPLIRSA-N 2 0 333.436 1.192 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000332554561 141202207 /nfs/dbraw/zinc/20/22/07/141202207.db2.gz RFLPTEIGXIYRAC-ZIAGYGMSSA-N 2 0 333.436 1.062 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C[NH3+] ZINC000333132268 141269196 /nfs/dbraw/zinc/26/91/96/141269196.db2.gz BXJMJAQQYZJDDI-CVEARBPZSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000333137061 141270356 /nfs/dbraw/zinc/27/03/56/141270356.db2.gz CNHWULHPDLEUKC-KZYLPZIUSA-N 2 0 349.523 1.127 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000333374659 141308074 /nfs/dbraw/zinc/30/80/74/141308074.db2.gz MXSJVSNBKGUWGZ-IXDOHACOSA-N 2 0 338.496 1.271 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333416103 141314425 /nfs/dbraw/zinc/31/44/25/141314425.db2.gz RWZIDKNCJSPMAQ-SQNIBIBYSA-N 2 0 331.460 1.740 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C[NH2+]1 ZINC000333510326 141329041 /nfs/dbraw/zinc/32/90/41/141329041.db2.gz FIQYOTVNIDALSC-CABCVRRESA-N 2 0 331.464 1.690 20 0 EDADRP COCC1(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)CC[NH2+]CC1 ZINC000333648564 141350127 /nfs/dbraw/zinc/35/01/27/141350127.db2.gz JKMCSWNDKCACFE-INIZCTEOSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C[C@H]1[NH3+] ZINC000333800649 141384083 /nfs/dbraw/zinc/38/40/83/141384083.db2.gz OAQLSGIGVKQEFV-CZUORRHYSA-N 2 0 336.505 1.949 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333872540 141399226 /nfs/dbraw/zinc/39/92/26/141399226.db2.gz SDWLYWMREFJRGE-GFIVTLFCSA-N 2 0 337.508 1.994 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)COC1C[NH2+]C1 ZINC000572406541 306588022 /nfs/dbraw/zinc/58/80/22/306588022.db2.gz VCALEMYVPMRZET-AEFFLSMTSA-N 2 0 331.460 1.174 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861489 142180883 /nfs/dbraw/zinc/18/08/83/142180883.db2.gz QVSYZKFQTVFCLW-GOEBONIOSA-N 2 0 336.484 1.528 20 0 EDADRP CO[C@H]1CCCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000340283593 142329478 /nfs/dbraw/zinc/32/94/78/142329478.db2.gz LUMYHXNVUYLMEM-IRXDYDNUSA-N 2 0 327.513 1.924 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000344873320 143022251 /nfs/dbraw/zinc/02/22/51/143022251.db2.gz AAPFFLKJOKKQSV-UHFFFAOYSA-N 2 0 341.544 1.386 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC000346319031 143191287 /nfs/dbraw/zinc/19/12/87/143191287.db2.gz LMIAMOGZAAQFJO-LJQANCHMSA-N 2 0 343.475 1.001 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000346344288 143194309 /nfs/dbraw/zinc/19/43/09/143194309.db2.gz DASOVIVZNLCQRM-CVEARBPZSA-N 2 0 339.528 1.137 20 0 EDADRP COC(=O)CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000346814133 143248259 /nfs/dbraw/zinc/24/82/59/143248259.db2.gz BQLSELQXPJLYSQ-XIRDDKMYSA-N 2 0 334.464 1.622 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000347186029 143292317 /nfs/dbraw/zinc/29/23/17/143292317.db2.gz ZOGMWKKJCIFWBP-HNNXBMFYSA-N 2 0 327.432 1.364 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000347320812 143308044 /nfs/dbraw/zinc/30/80/44/143308044.db2.gz TXGRINCFMVQXAM-YJBOKZPZSA-N 2 0 334.508 1.288 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000347377889 143314400 /nfs/dbraw/zinc/31/44/00/143314400.db2.gz UUDBCCNKXZUNCG-KRWDZBQOSA-N 2 0 343.479 1.254 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC000347426289 143319529 /nfs/dbraw/zinc/31/95/29/143319529.db2.gz KZXSQDXPTHKCLP-OAGGEKHMSA-N 2 0 343.537 1.429 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000347582578 143337364 /nfs/dbraw/zinc/33/73/64/143337364.db2.gz FZPUZFPTSQCTQE-ZJIFWQFVSA-N 2 0 326.485 1.076 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347695673 143350835 /nfs/dbraw/zinc/35/08/35/143350835.db2.gz CJCRYZPAOGNMFD-KZNAEPCWSA-N 2 0 339.524 1.829 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000362665066 292168391 /nfs/dbraw/zinc/16/83/91/292168391.db2.gz COXYYTYRYAAAPA-GDBMZVCRSA-N 2 0 340.512 1.467 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)S(=O)(=O)CC[NH+](CC)CC ZINC000352725261 149131452 /nfs/dbraw/zinc/13/14/52/149131452.db2.gz JBDWNQBLQOQEET-UHFFFAOYSA-N 2 0 333.542 1.856 20 0 EDADRP Cn1nccc1-c1ccccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000352749705 149149376 /nfs/dbraw/zinc/14/93/76/149149376.db2.gz ODFASUXMXUKJAK-UHFFFAOYSA-N 2 0 327.476 1.814 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000353013460 149252968 /nfs/dbraw/zinc/25/29/68/149252968.db2.gz CZVCNUNAUXJAEW-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000369917770 155232328 /nfs/dbraw/zinc/23/23/28/155232328.db2.gz FLIYVKKLBBLXPW-GPMSIDNRSA-N 2 0 337.508 1.757 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C(C)C ZINC000353240603 149336222 /nfs/dbraw/zinc/33/62/22/149336222.db2.gz UPNFKONYPLMULI-UHFFFAOYSA-N 2 0 328.501 1.251 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000353424294 149399839 /nfs/dbraw/zinc/39/98/39/149399839.db2.gz FORXXLZFDDCYTB-INIZCTEOSA-N 2 0 348.447 1.413 20 0 EDADRP Cn1cc([C@H]2[C@H](CNC(=O)C3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000369925900 155236793 /nfs/dbraw/zinc/23/67/93/155236793.db2.gz GTJOIJZWCOQOAF-DOTOQJQBSA-N 2 0 333.480 1.261 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000416970742 304357363 /nfs/dbraw/zinc/35/73/63/304357363.db2.gz OAFRJJKIEIGJEQ-PMPSAXMXSA-N 2 0 348.491 1.690 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416971985 304357711 /nfs/dbraw/zinc/35/77/11/304357711.db2.gz FHFJMQZUTNRMPB-RHSMWYFYSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000416974640 304359096 /nfs/dbraw/zinc/35/90/96/304359096.db2.gz XPCGFIXTLLUHEM-HOCLYGCPSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000355029078 150082788 /nfs/dbraw/zinc/08/27/88/150082788.db2.gz ITNDMZGPYCMYGQ-MJGOQNOKSA-N 2 0 347.503 1.527 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000355039594 150087383 /nfs/dbraw/zinc/08/73/83/150087383.db2.gz AYVXUSYJNJXSMV-JQHSSLGASA-N 2 0 333.476 1.810 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355408145 150257267 /nfs/dbraw/zinc/25/72/67/150257267.db2.gz IIVZRTMKFLATNU-IAGOWNOFSA-N 3 0 326.529 1.591 20 0 EDADRP [NH3+][C@H](CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000417028750 304362217 /nfs/dbraw/zinc/36/22/17/304362217.db2.gz VCKLUULXENLMFR-GOSISDBHSA-N 2 0 345.491 1.235 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417028771 304362232 /nfs/dbraw/zinc/36/22/32/304362232.db2.gz BUBYRXMEVSYJKC-CVEARBPZSA-N 2 0 326.485 1.400 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000370002138 155276466 /nfs/dbraw/zinc/27/64/66/155276466.db2.gz MVIUBKGFLKZXFU-INIZCTEOSA-N 2 0 347.507 1.274 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000370020908 155284441 /nfs/dbraw/zinc/28/44/41/155284441.db2.gz VGNAHVRLXFXXNN-ZWKOTPCHSA-N 2 0 334.508 1.101 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417046047 304366247 /nfs/dbraw/zinc/36/62/47/304366247.db2.gz ZDTQVXCWHVQHSH-MAUKXSAKSA-N 2 0 330.476 1.732 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357080640 150915954 /nfs/dbraw/zinc/91/59/54/150915954.db2.gz FJMFKTWEWVWBBS-SFHVURJKSA-N 2 0 345.487 1.675 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000358105657 151272122 /nfs/dbraw/zinc/27/21/22/151272122.db2.gz OXJRARSUEGNCRL-SJORKVTESA-N 2 0 336.524 1.393 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)C2CCOCC2)[C@@H](C)C1 ZINC000358151722 151289305 /nfs/dbraw/zinc/28/93/05/151289305.db2.gz FWKSXLKMDLBNDW-SZMVWBNQSA-N 2 0 328.497 1.501 20 0 EDADRP Cc1ccccc1[C@H](CN1CCOCC1)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358264797 151320836 /nfs/dbraw/zinc/32/08/36/151320836.db2.gz ZDCTXNTXEKAMSV-OALUTQOASA-N 2 0 333.476 1.025 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3C)C2)CC1 ZINC000370056992 155307270 /nfs/dbraw/zinc/30/72/70/155307270.db2.gz UGWINODSUDXOHW-PKOBYXMFSA-N 2 0 335.467 1.879 20 0 EDADRP COc1cccc(CNC(=O)[C@@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358495965 151395235 /nfs/dbraw/zinc/39/52/35/151395235.db2.gz IJYBRQBKDUXAGX-OAHLLOKOSA-N 2 0 331.460 1.775 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)CCSC1 ZINC000360377824 152011954 /nfs/dbraw/zinc/01/19/54/152011954.db2.gz NYTSLEXQGOSLNL-QGZVFWFLSA-N 2 0 342.553 1.987 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCSC1 ZINC000360396666 152020419 /nfs/dbraw/zinc/02/04/19/152020419.db2.gz CDMSTQPNEKVJNC-QGZVFWFLSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCCC1 ZINC000360397976 152021292 /nfs/dbraw/zinc/02/12/92/152021292.db2.gz QCJKTWMTLXSEIX-ZBFHGGJFSA-N 2 0 328.526 1.455 20 0 EDADRP CC(=O)Nc1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc1 ZINC000360517732 152077319 /nfs/dbraw/zinc/07/73/19/152077319.db2.gz XNQDVKXXKUHIFP-UHFFFAOYSA-N 2 0 349.479 1.386 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000360796494 152208711 /nfs/dbraw/zinc/20/87/11/152208711.db2.gz HEDWISWBUFNXMB-ZACQAIPSSA-N 2 0 342.528 1.857 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000360889439 152242457 /nfs/dbraw/zinc/24/24/57/152242457.db2.gz NTFZFLGJKCMMES-NCOADZHNSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000361401013 152382313 /nfs/dbraw/zinc/38/23/13/152382313.db2.gz UPKBJYYIISVJFX-DAYGRLMNSA-N 2 0 335.492 1.571 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000417186093 304382076 /nfs/dbraw/zinc/38/20/76/304382076.db2.gz WGHNAOMAQLSWTC-IAGOWNOFSA-N 2 0 334.439 1.964 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000364097784 153144402 /nfs/dbraw/zinc/14/44/02/153144402.db2.gz DTHMIQJATYKMML-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364210053 153174110 /nfs/dbraw/zinc/17/41/10/153174110.db2.gz CTBUNRDNSIGIEQ-JKSUJKDBSA-N 2 0 325.497 1.317 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3cn(C(C)(C)C)nn3)C2)CC1 ZINC000364473729 153247539 /nfs/dbraw/zinc/24/75/39/153247539.db2.gz UTEJAOBFYWAOGS-KRWDZBQOSA-N 2 0 334.512 1.633 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000417199760 304383833 /nfs/dbraw/zinc/38/38/33/304383833.db2.gz VYQAJZFNEPLHHG-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC([NH2+]C2CCCC2)CC1 ZINC000365159013 153440205 /nfs/dbraw/zinc/44/02/05/153440205.db2.gz DXVBTNUHXJAWDB-KRWDZBQOSA-N 2 0 345.491 1.944 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417203002 304384424 /nfs/dbraw/zinc/38/44/24/304384424.db2.gz YCSCVMAMPRZFLW-FUHWJXTLSA-N 2 0 330.476 1.695 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)C[C@@H]2[C@H]1c1ccccc1 ZINC000367186293 154033025 /nfs/dbraw/zinc/03/30/25/154033025.db2.gz NACAUBHOYQLZPT-DFBDCSAJSA-N 2 0 329.444 1.254 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(Oc3cnccn3)CC2)CC1 ZINC000367252206 154054848 /nfs/dbraw/zinc/05/48/48/154054848.db2.gz PMNVUCLBMDMWLW-UHFFFAOYSA-N 2 0 347.507 1.736 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000417297736 304390630 /nfs/dbraw/zinc/39/06/30/304390630.db2.gz SLWOEKGIAPYSKW-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000367894454 154316290 /nfs/dbraw/zinc/31/62/90/154316290.db2.gz CZFIBEPHQPXOQX-BHIYHBOVSA-N 2 0 329.488 1.663 20 0 EDADRP CC(C)(CN1CCn2ccnc2C1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000368078874 154399580 /nfs/dbraw/zinc/39/95/80/154399580.db2.gz LHTPBMXDHOANHJ-OAHLLOKOSA-N 2 0 345.491 1.325 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417345343 304393497 /nfs/dbraw/zinc/39/34/97/304393497.db2.gz UAOUGJRQBPAGKF-UZLBHIALSA-N 2 0 342.487 1.828 20 0 EDADRP C[C@@H](CNC(=O)[C@]1([NH+](C)C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000369212205 154923787 /nfs/dbraw/zinc/92/37/87/154923787.db2.gz PLCZISUVUSCHNW-JXFKEZNVSA-N 2 0 344.503 1.142 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000369447703 155039522 /nfs/dbraw/zinc/03/95/22/155039522.db2.gz KZZATYYADDUJIZ-OAGGEKHMSA-N 2 0 340.512 1.515 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1=O ZINC000369600205 155105157 /nfs/dbraw/zinc/10/51/57/155105157.db2.gz IVLQFJJCCDPSFH-RBSFLKMASA-N 2 0 334.464 1.123 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000417393797 304396299 /nfs/dbraw/zinc/39/62/99/304396299.db2.gz RFHGHUFWVIJEQK-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000417485712 304399489 /nfs/dbraw/zinc/39/94/89/304399489.db2.gz XCSXARYAMSACBB-INIZCTEOSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000417485342 304399620 /nfs/dbraw/zinc/39/96/20/304399620.db2.gz WGWINJMIUDHZIC-KRWDZBQOSA-N 2 0 348.491 1.816 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000371650713 156046720 /nfs/dbraw/zinc/04/67/20/156046720.db2.gz TZDOIVSUMMGOGJ-JZXOWHBKSA-N 2 0 347.507 1.931 20 0 EDADRP c1ccc(OCCN2CCN(CC[N@@H+]3CCCOCC3)CC2)cc1 ZINC000372274939 156301580 /nfs/dbraw/zinc/30/15/80/156301580.db2.gz TZPSWNKXXOZAIQ-UHFFFAOYSA-N 2 0 333.476 1.405 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372314140 156326289 /nfs/dbraw/zinc/32/62/89/156326289.db2.gz YVQSXBHTLWPRFZ-IAGOWNOFSA-N 2 0 346.475 1.313 20 0 EDADRP CN(Cc1cccnc1)C[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000373843775 157029569 /nfs/dbraw/zinc/02/95/69/157029569.db2.gz HHEDNTKKZMHFLD-AQNXPRMDSA-N 2 0 344.503 1.699 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000374417197 157283821 /nfs/dbraw/zinc/28/38/21/157283821.db2.gz BSYWVPJHYWMSIO-GJZGRUSLSA-N 2 0 325.522 1.995 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000375251470 157528605 /nfs/dbraw/zinc/52/86/05/157528605.db2.gz VUCWPWIZWUGOBC-QAPCUYQASA-N 2 0 330.432 1.515 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCOCC1 ZINC000377892921 158022701 /nfs/dbraw/zinc/02/27/01/158022701.db2.gz FQJJRNKSFTVVQR-KRWDZBQOSA-N 2 0 329.460 1.426 20 0 EDADRP CCCC[C@@H](C)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000352397773 162162062 /nfs/dbraw/zinc/16/20/62/162162062.db2.gz LTUYLFMXEYVTBG-IAGOWNOFSA-N 2 0 327.513 1.970 20 0 EDADRP CNC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352421466 162174847 /nfs/dbraw/zinc/17/48/47/162174847.db2.gz CQZRWVNIWSVQNI-SJORKVTESA-N 2 0 344.459 1.286 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418020210 304447232 /nfs/dbraw/zinc/44/72/32/304447232.db2.gz MQFCFQOXXCMRKV-ZWKOTPCHSA-N 2 0 348.491 1.400 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000418058745 304452435 /nfs/dbraw/zinc/45/24/35/304452435.db2.gz QZSSIJGQPCDEHT-IBGZPJMESA-N 2 0 330.476 1.686 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000418213292 304464912 /nfs/dbraw/zinc/46/49/12/304464912.db2.gz VYEIRYZSCLGATJ-RHSMWYFYSA-N 2 0 336.480 1.984 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000663556449 452267010 /nfs/dbraw/zinc/26/70/10/452267010.db2.gz JSMOOQDYPZYDAM-RDJZCZTQSA-N 2 0 342.528 1.763 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000073988510 287266828 /nfs/dbraw/zinc/26/68/28/287266828.db2.gz GBZNSRRQQKAQJE-LJQANCHMSA-N 2 0 344.503 1.995 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000074064824 287267390 /nfs/dbraw/zinc/26/73/90/287267390.db2.gz FREUGIZGOZEMPJ-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418284306 304474173 /nfs/dbraw/zinc/47/41/73/304474173.db2.gz BNVKZQWRFABEIA-QZTJIDSGSA-N 2 0 346.475 1.582 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418332699 304481372 /nfs/dbraw/zinc/48/13/72/304481372.db2.gz FWBKJZZHYLYXQJ-HNNXBMFYSA-N 2 0 336.455 1.899 20 0 EDADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123291192 287386828 /nfs/dbraw/zinc/38/68/28/287386828.db2.gz ZJYXYMSREOFORP-UHFFFAOYSA-N 2 0 335.496 1.432 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663692769 452429887 /nfs/dbraw/zinc/42/98/87/452429887.db2.gz IKZDOFAHBCNNPD-DLBZAZTESA-N 2 0 342.528 1.715 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1cncnc1 ZINC000274352410 273087404 /nfs/dbraw/zinc/08/74/04/273087404.db2.gz NMNFYGLZESDXST-UHFFFAOYSA-N 2 0 341.419 1.205 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[NH+]2CCCCC2)cc1 ZINC000045195508 272911370 /nfs/dbraw/zinc/91/13/70/272911370.db2.gz OMBXFJDUBFLTRG-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000153931665 272927757 /nfs/dbraw/zinc/92/77/57/272927757.db2.gz DCJQIEJFOKKEEZ-HDICACEKSA-N 2 0 344.503 1.716 20 0 EDADRP COCCCn1nccc1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000282560806 273677872 /nfs/dbraw/zinc/67/78/72/273677872.db2.gz DJBDQHWQKDUKQH-UHFFFAOYSA-N 2 0 347.463 1.545 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000283920526 274011461 /nfs/dbraw/zinc/01/14/61/274011461.db2.gz FNMNPRQDFHYLSD-UHFFFAOYSA-N 2 0 348.491 1.165 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284046155 274060006 /nfs/dbraw/zinc/06/00/06/274060006.db2.gz QFMGZUOGZGGQTP-SFHVURJKSA-N 2 0 341.459 1.576 20 0 EDADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000121981573 276012375 /nfs/dbraw/zinc/01/23/75/276012375.db2.gz PNCWOJNRDVVYLV-YESZJQIVSA-N 2 0 325.497 1.457 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418677918 277085765 /nfs/dbraw/zinc/08/57/65/277085765.db2.gz BMSUPGTWNFSVNV-NSHGMRRFSA-N 2 0 342.487 1.869 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000261693932 277109218 /nfs/dbraw/zinc/10/92/18/277109218.db2.gz FCCUYRIXBKPRHT-RTBURBONSA-N 2 0 344.503 1.425 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332633393 277221551 /nfs/dbraw/zinc/22/15/51/277221551.db2.gz ZLRVIXVLOWUMFF-HZPDHXFCSA-N 2 0 343.537 1.796 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000347042415 277226706 /nfs/dbraw/zinc/22/67/06/277226706.db2.gz KQZKTZWOQXPQIM-BBWFWOEESA-N 2 0 340.512 1.374 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417024468 277292952 /nfs/dbraw/zinc/29/29/52/277292952.db2.gz QKFIBGSTUVHILF-FUHWJXTLSA-N 2 0 347.507 1.272 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000131822205 278109567 /nfs/dbraw/zinc/10/95/67/278109567.db2.gz SACVDSRUCZLPMZ-IRXDYDNUSA-N 2 0 343.537 1.608 20 0 EDADRP C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000119905663 278291758 /nfs/dbraw/zinc/29/17/58/278291758.db2.gz ZSDUITFSNUCHOW-INIZCTEOSA-N 2 0 339.505 1.076 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccccc1N(C)C ZINC000354165690 278343652 /nfs/dbraw/zinc/34/36/52/278343652.db2.gz XKNBZVKWCWHZNO-GOSISDBHSA-N 2 0 348.535 1.793 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000368986745 279320487 /nfs/dbraw/zinc/32/04/87/279320487.db2.gz LCADBMTUBFGWBS-YESZJQIVSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000287193971 288177439 /nfs/dbraw/zinc/17/74/39/288177439.db2.gz OGCXOXPVLYRMQX-DLBZAZTESA-N 2 0 348.491 1.215 20 0 EDADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000360911837 280093796 /nfs/dbraw/zinc/09/37/96/280093796.db2.gz GRTRUIWJUSAPPF-QRQLOZEOSA-N 2 0 349.519 1.699 20 0 EDADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262088516 280207175 /nfs/dbraw/zinc/20/71/75/280207175.db2.gz RLQBUHGIKZJGQG-LJQANCHMSA-N 2 0 342.487 1.402 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728978 282036601 /nfs/dbraw/zinc/03/66/01/282036601.db2.gz BNBQMMFAJMCLGL-QZTJIDSGSA-N 2 0 344.503 1.902 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3cnc4cnccn34)CC2)CC1 ZINC000289381334 288686637 /nfs/dbraw/zinc/68/66/37/288686637.db2.gz CLXWDEXNEHEWAT-UHFFFAOYSA-N 2 0 328.464 1.189 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289491744 288712476 /nfs/dbraw/zinc/71/24/76/288712476.db2.gz ADFJHSDUWCKUPL-INIZCTEOSA-N 2 0 339.867 1.642 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000290053106 288830012 /nfs/dbraw/zinc/83/00/12/288830012.db2.gz FFOQYCNXYBMFPY-MSOLQXFVSA-N 2 0 333.476 1.877 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)c1 ZINC000156408572 289224784 /nfs/dbraw/zinc/22/47/84/289224784.db2.gz XHXUDLPCCIWDIK-SFHVURJKSA-N 2 0 345.487 1.933 20 0 EDADRP C[C@H]1CCCCN1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000340178370 290394638 /nfs/dbraw/zinc/39/46/38/290394638.db2.gz ZRCYJBQJCIQTQY-HNNXBMFYSA-N 2 0 346.541 1.063 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C1CCCC1 ZINC000660058004 452970828 /nfs/dbraw/zinc/97/08/28/452970828.db2.gz TVPDMXWVHVLYIS-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417015500 293290036 /nfs/dbraw/zinc/29/00/36/293290036.db2.gz MOXNZSSVVNXAIK-YQQAZPJKSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000333939171 295319316 /nfs/dbraw/zinc/31/93/16/295319316.db2.gz NAAPWMHGWWOMDC-QZWWFDLISA-N 2 0 336.480 1.151 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]2CCCC2)c1 ZINC000262768472 295325263 /nfs/dbraw/zinc/32/52/63/295325263.db2.gz HWQCCRNCRJJHLP-IRXDYDNUSA-N 2 0 335.448 1.312 20 0 EDADRP O=C(C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000450866650 295522050 /nfs/dbraw/zinc/52/20/50/295522050.db2.gz TYHJMNSPWCITBN-BHIYHBOVSA-N 2 0 347.503 1.667 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418699886 304529905 /nfs/dbraw/zinc/52/99/05/304529905.db2.gz BGSQOQUCWLGHOW-CQSZACIVSA-N 2 0 349.470 1.028 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419720794 304671004 /nfs/dbraw/zinc/67/10/04/304671004.db2.gz IVEOEEHRHVRNLM-LBPRGKRZSA-N 2 0 326.485 1.046 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419985327 304721166 /nfs/dbraw/zinc/72/11/66/304721166.db2.gz DVHWKJPWSZNENT-HNNXBMFYSA-N 2 0 340.512 1.201 20 0 EDADRP CN(Cc1ccccc1)C(=O)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420295383 304744482 /nfs/dbraw/zinc/74/44/82/304744482.db2.gz AEHITZMXUMMICI-QGZVFWFLSA-N 2 0 330.476 1.856 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C)[C@@H](C)COC)CC2)CC1 ZINC000422027169 447314261 /nfs/dbraw/zinc/31/42/61/447314261.db2.gz WBXNLRQZNGVPSF-DLBZAZTESA-N 2 0 339.524 1.924 20 0 EDADRP O=C(CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000420391290 304754780 /nfs/dbraw/zinc/75/47/80/304754780.db2.gz ANZNZXLRRUTASF-NVXWUHKLSA-N 2 0 337.851 1.582 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2c([nH]c1=O)CCCCC2 ZINC000159058109 302916145 /nfs/dbraw/zinc/91/61/45/302916145.db2.gz PLFCDXFZGDTXQV-UHFFFAOYSA-N 2 0 348.491 1.209 20 0 EDADRP COC[C@@]1(C(=O)OC)CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000295038053 303165800 /nfs/dbraw/zinc/16/58/00/303165800.db2.gz MICMDVRBSVYBLM-GOSISDBHSA-N 2 0 329.400 1.884 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296480233 303319570 /nfs/dbraw/zinc/31/95/70/303319570.db2.gz WPMMXTQTJNQVMA-QGZVFWFLSA-N 2 0 334.464 1.717 20 0 EDADRP CC[C@H](O)CN1CCN(C(=O)Nc2cc(C)c3nccn3c2)CC1 ZINC000297035672 303356266 /nfs/dbraw/zinc/35/62/66/303356266.db2.gz RIQLBXAZNPQKTM-HNNXBMFYSA-N 2 0 331.420 1.563 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297176771 303368827 /nfs/dbraw/zinc/36/88/27/303368827.db2.gz WZFSQXXJOHEYNF-MQVJKMGUSA-N 2 0 331.460 1.982 20 0 EDADRP FC(F)Oc1cc2c(cc1C[NH2+]CCN1CC[NH2+]CC1)OCO2 ZINC000414858928 447331599 /nfs/dbraw/zinc/33/15/99/447331599.db2.gz AAWPDUYSEWLTTM-UHFFFAOYSA-N 2 0 329.347 1.012 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000458373989 447333816 /nfs/dbraw/zinc/33/38/16/447333816.db2.gz SGPBYHPHAROBRG-OAHLLOKOSA-N 2 0 331.420 1.244 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+](CC)C(C)C ZINC000414875787 447338458 /nfs/dbraw/zinc/33/84/58/447338458.db2.gz JSZMVFKGPGHUQN-UHFFFAOYSA-N 2 0 334.464 1.581 20 0 EDADRP CC1(C)C[C@@H]([NH2+]CCCn2cc(CO)nn2)CN1Cc1ccccc1 ZINC000377764063 447343554 /nfs/dbraw/zinc/34/35/54/447343554.db2.gz BGFVVBJDOQNJPL-QGZVFWFLSA-N 2 0 343.475 1.803 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCCC1 ZINC000414888959 447345066 /nfs/dbraw/zinc/34/50/66/447345066.db2.gz YJFFHSVTLOWUKB-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422913545 304879907 /nfs/dbraw/zinc/87/99/07/304879907.db2.gz QEBIXIYOGBZXBR-MSOLQXFVSA-N 3 0 332.492 1.585 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)COCC(F)(F)F)CC[NH2+]CC1 ZINC000422942731 304880868 /nfs/dbraw/zinc/88/08/68/304880868.db2.gz JSHZVHXMNMJSLW-NWDGAFQWSA-N 2 0 340.386 1.865 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000422996220 304882507 /nfs/dbraw/zinc/88/25/07/304882507.db2.gz LJKAWSOEWNOIGL-UONOGXRCSA-N 2 0 345.534 1.750 20 0 EDADRP C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CCC[NH2+]1 ZINC000423096666 304885800 /nfs/dbraw/zinc/88/58/00/304885800.db2.gz HZDHXTBIMAHHCF-TZMCWYRMSA-N 2 0 345.896 1.739 20 0 EDADRP Brc1cc2c(s1)CC[C@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423207555 304889428 /nfs/dbraw/zinc/88/94/28/304889428.db2.gz RVULCHBWNMZUKI-LLVKDONJSA-N 2 0 330.295 1.993 20 0 EDADRP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423208600 304889484 /nfs/dbraw/zinc/88/94/84/304889484.db2.gz TVFDKHRIFZRAGL-HNNXBMFYSA-N 2 0 333.480 1.772 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1CCC([NH3+])CC1 ZINC000423234802 304890075 /nfs/dbraw/zinc/89/00/75/304890075.db2.gz QKDRCYDGRFXJMN-QFWMXSHPSA-N 2 0 328.254 1.859 20 0 EDADRP [NH3+]CCCn1cc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)nn1 ZINC000423335776 304893078 /nfs/dbraw/zinc/89/30/78/304893078.db2.gz RZWGQORJKRURTN-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424017768 304925359 /nfs/dbraw/zinc/92/53/59/304925359.db2.gz HHGAEGILDBYYAY-QGZVFWFLSA-N 3 0 330.476 1.096 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424039340 304925896 /nfs/dbraw/zinc/92/58/96/304925896.db2.gz NPMUYIUXSVDBEB-MSOLQXFVSA-N 3 0 344.503 1.614 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425895454 304976249 /nfs/dbraw/zinc/97/62/49/304976249.db2.gz IQOHFHKVUTZMDG-UHFFFAOYSA-N 3 0 335.496 1.257 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000428994551 305022066 /nfs/dbraw/zinc/02/20/66/305022066.db2.gz FWUZBQKEILNYOC-GPMSIDNRSA-N 2 0 348.535 1.392 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000430600020 305057999 /nfs/dbraw/zinc/05/79/99/305057999.db2.gz RKEXJJMCZGZCAU-UHFFFAOYSA-N 2 0 330.432 1.708 20 0 EDADRP CSc1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430660434 305061723 /nfs/dbraw/zinc/06/17/23/305061723.db2.gz DHGKJRNKPZCUPM-CQSZACIVSA-N 2 0 337.489 1.574 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)[C@@]2(CCOC)CC[NH2+]C2)CC1 ZINC000430680557 305062313 /nfs/dbraw/zinc/06/23/13/305062313.db2.gz YPSIVMYRZMZNHS-GOSISDBHSA-N 2 0 325.497 1.583 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3[NH2+]CCCC3(C)C)ccn2)CC1 ZINC000430716427 305063073 /nfs/dbraw/zinc/06/30/73/305063073.db2.gz CSYXITXHSUAUCO-INIZCTEOSA-N 2 0 345.491 1.341 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430880203 305066878 /nfs/dbraw/zinc/06/68/78/305066878.db2.gz SEPNZNOZWFORBU-JKSUJKDBSA-N 2 0 344.459 1.465 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]([NH3+])c1ccccc1 ZINC000430894253 305067255 /nfs/dbraw/zinc/06/72/55/305067255.db2.gz LYNUEJUOOMYOOW-USXIJHARSA-N 2 0 346.475 1.026 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000433114521 305100747 /nfs/dbraw/zinc/10/07/47/305100747.db2.gz HDFBSUVWDCVIAQ-KRWDZBQOSA-N 2 0 330.476 1.585 20 0 EDADRP Cc1noc(C2CCC(NC(=O)CCC[NH+]3CCC([NH3+])CC3)CC2)n1 ZINC000433132022 305101406 /nfs/dbraw/zinc/10/14/06/305101406.db2.gz WJVLUKCANRHIAU-UHFFFAOYSA-N 2 0 349.479 1.724 20 0 EDADRP CCOc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1OC ZINC000433147653 305101785 /nfs/dbraw/zinc/10/17/85/305101785.db2.gz ZFZOBOXTEYLEQT-UHFFFAOYSA-N 2 0 349.475 1.913 20 0 EDADRP CC(C)[C@H]1OCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000433968634 305116086 /nfs/dbraw/zinc/11/60/86/305116086.db2.gz SUTNUUAEKNTOFS-IAGOWNOFSA-N 2 0 327.513 1.780 20 0 EDADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434597240 305125166 /nfs/dbraw/zinc/12/51/66/305125166.db2.gz QEYQIVCOZIQNAL-OAHLLOKOSA-N 2 0 348.447 1.078 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000438721495 305188588 /nfs/dbraw/zinc/18/85/88/305188588.db2.gz JKFSIBAWDBYHEW-JKSUJKDBSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000438888591 305190616 /nfs/dbraw/zinc/19/06/16/305190616.db2.gz DGONPEJXQIPNNH-LXZKKBNFSA-N 2 0 328.460 1.979 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442758958 305229676 /nfs/dbraw/zinc/22/96/76/305229676.db2.gz CAIMSJFMPBSUNA-PMPSAXMXSA-N 2 0 346.475 1.098 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442877394 305230398 /nfs/dbraw/zinc/23/03/98/305230398.db2.gz UAOHFWYBNTYEHA-FZMZJTMJSA-N 2 0 347.431 1.173 20 0 EDADRP CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066524 305234336 /nfs/dbraw/zinc/23/43/36/305234336.db2.gz FIEHVSQSKJFKSC-AWEZNQCLSA-N 2 0 344.459 1.811 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000447656199 305283538 /nfs/dbraw/zinc/28/35/38/305283538.db2.gz JSRASUZEAMODHM-KRWDZBQOSA-N 2 0 337.508 1.963 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449349918 305312327 /nfs/dbraw/zinc/31/23/27/305312327.db2.gz SBUKNYUTTJFENI-GDBMZVCRSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)NCCOCC[NH+](C)C)([NH+](C)C)C1 ZINC000471634385 305537489 /nfs/dbraw/zinc/53/74/89/305537489.db2.gz JTWZIYANQYGLSL-DOTOQJQBSA-N 2 0 328.501 1.374 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000458420726 447357082 /nfs/dbraw/zinc/35/70/82/447357082.db2.gz AUUGLGFMOXHIOU-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C(C)(C)C ZINC000458422236 447358148 /nfs/dbraw/zinc/35/81/48/447358148.db2.gz UBVXYQIGVHLXTJ-HOTGVXAUSA-N 2 0 342.528 1.499 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC1 ZINC000527521196 305848635 /nfs/dbraw/zinc/84/86/35/305848635.db2.gz DLPBLPQSPAUONU-UHFFFAOYSA-N 2 0 344.463 1.202 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333508 447363820 /nfs/dbraw/zinc/36/38/20/447363820.db2.gz LPDVNTGHKQIXMP-PKOBYXMFSA-N 2 0 345.487 1.688 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000529337290 305910127 /nfs/dbraw/zinc/91/01/27/305910127.db2.gz GHSSKQMIPDRKEY-JKSUJKDBSA-N 2 0 338.496 1.400 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CC(C)C ZINC000538687320 306032319 /nfs/dbraw/zinc/03/23/19/306032319.db2.gz SGASMDHMRXDWDQ-INIZCTEOSA-N 2 0 348.557 1.167 20 0 EDADRP CCc1cnccc1[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000539208011 306034858 /nfs/dbraw/zinc/03/48/58/306034858.db2.gz BPSCPCDYRBUDCR-HNNXBMFYSA-N 2 0 335.496 1.840 20 0 EDADRP CC[C@]1(O)CC[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547649332 306106252 /nfs/dbraw/zinc/10/62/52/306106252.db2.gz MCZYIIXJAHMQQB-POAQFYNOSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1CC(C)(C)O ZINC000547727668 306110181 /nfs/dbraw/zinc/11/01/81/306110181.db2.gz SFKUNFZOLFYXMQ-OAHLLOKOSA-N 2 0 334.464 1.212 20 0 EDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551100779 306155811 /nfs/dbraw/zinc/15/58/11/306155811.db2.gz DPWAFTVIRAOSHS-QGZVFWFLSA-N 2 0 335.473 1.563 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cn2ccccc2n1 ZINC000551266754 306156882 /nfs/dbraw/zinc/15/68/82/306156882.db2.gz DQLBFVRINIPSRN-QGZVFWFLSA-N 2 0 345.491 1.375 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552157561 306176387 /nfs/dbraw/zinc/17/63/87/306176387.db2.gz UJQHMUYLCXPUQA-GJZGRUSLSA-N 2 0 331.416 1.241 20 0 EDADRP C[NH+](C)CCCCC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000555621706 306204198 /nfs/dbraw/zinc/20/41/98/306204198.db2.gz FCVVLYQTKZFYMB-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000557099816 306223917 /nfs/dbraw/zinc/22/39/17/306223917.db2.gz FGVPAUBQYDLKPN-MAUKXSAKSA-N 2 0 330.476 1.948 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000557205459 306226350 /nfs/dbraw/zinc/22/63/50/306226350.db2.gz VEBDRYLDOMHYNW-BWTSREIZSA-N 2 0 342.487 1.936 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCCCC1 ZINC000419716971 447370042 /nfs/dbraw/zinc/37/00/42/447370042.db2.gz SSHBSSGRPSARER-GDBMZVCRSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419716892 447369927 /nfs/dbraw/zinc/36/99/27/447369927.db2.gz SFSKENCJFZXOOO-CVEARBPZSA-N 2 0 340.512 1.199 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000414949394 447371411 /nfs/dbraw/zinc/37/14/11/447371411.db2.gz ZHRGXNPLZQODQX-YOEHRIQHSA-N 2 0 346.475 1.580 20 0 EDADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000158651792 533697101 /nfs/dbraw/zinc/69/71/01/533697101.db2.gz RNHLAQGVLMCIGD-INIZCTEOSA-N 2 0 328.464 1.598 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000414985031 447385596 /nfs/dbraw/zinc/38/55/96/447385596.db2.gz MSDLBSXIKJIMSI-YOEHRIQHSA-N 2 0 346.475 1.978 20 0 EDADRP CCCN(C(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000415394389 447414015 /nfs/dbraw/zinc/41/40/15/447414015.db2.gz QIELCJCJQDEJDR-INIZCTEOSA-N 2 0 346.475 1.330 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000415431034 447433434 /nfs/dbraw/zinc/43/34/34/447433434.db2.gz DIDRCDZCTRWGKX-MRXNPFEDSA-N 2 0 334.464 1.566 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000098034472 441147995 /nfs/dbraw/zinc/14/79/95/441147995.db2.gz AVHJCNOZUBTURJ-YESZJQIVSA-N 2 0 342.528 1.620 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000105193205 441241574 /nfs/dbraw/zinc/24/15/74/441241574.db2.gz ZHGANNDGEVROTD-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCC[NH+](C)C)CC2)c1 ZINC000080976291 441215869 /nfs/dbraw/zinc/21/58/69/441215869.db2.gz ACGIWPSMJPFHLM-UHFFFAOYSA-N 2 0 332.492 1.575 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081996883 441329973 /nfs/dbraw/zinc/32/99/73/441329973.db2.gz AKBYXGXNBFCXJJ-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000106458458 441345670 /nfs/dbraw/zinc/34/56/70/441345670.db2.gz AXIYYVALJPINKZ-LJQANCHMSA-N 2 0 346.519 1.636 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000073252267 441305208 /nfs/dbraw/zinc/30/52/08/441305208.db2.gz AXYHSEFZIRZOAB-ZDUSSCGKSA-N 2 0 344.419 1.052 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000107370334 441414436 /nfs/dbraw/zinc/41/44/36/441414436.db2.gz VKMCCHLWGHUSRH-SFHVURJKSA-N 2 0 330.476 1.727 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCC(C)CC2)C1 ZINC000053099516 441498491 /nfs/dbraw/zinc/49/84/91/441498491.db2.gz KUTHZAIJJCHWER-DAWZGUTISA-N 2 0 339.524 1.970 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000074677993 441455813 /nfs/dbraw/zinc/45/58/13/441455813.db2.gz GTQUYAKQZXCZHY-UHFFFAOYSA-N 2 0 331.526 1.288 20 0 EDADRP COC(=O)N1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000089144860 441527122 /nfs/dbraw/zinc/52/71/22/441527122.db2.gz FCMOPLRUVGYNJV-GJZGRUSLSA-N 2 0 327.469 1.696 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000090522414 441632792 /nfs/dbraw/zinc/63/27/92/441632792.db2.gz PIMPBSFOLRJTDS-SZMVWBNQSA-N 2 0 339.524 1.991 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000114074650 441634273 /nfs/dbraw/zinc/63/42/73/441634273.db2.gz XYTWMARXCQBPLA-KBXCAEBGSA-N 2 0 348.466 1.849 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502412 441740931 /nfs/dbraw/zinc/74/09/31/441740931.db2.gz AWVWCYFABKFQDB-YJBOKZPZSA-N 3 0 334.508 1.146 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000091824399 441745236 /nfs/dbraw/zinc/74/52/36/441745236.db2.gz ZSHHDJSYBHBITC-UHFFFAOYSA-N 2 0 344.503 1.901 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137512160 441772125 /nfs/dbraw/zinc/77/21/25/441772125.db2.gz MFQILNLSFIEFQR-PKOBYXMFSA-N 2 0 344.503 1.403 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000173575316 441797532 /nfs/dbraw/zinc/79/75/32/441797532.db2.gz RVQJSXTVYKEFAN-INIZCTEOSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077574886 441808729 /nfs/dbraw/zinc/80/87/29/441808729.db2.gz YLQDFHWUTAKGMN-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cc2ccccc2[nH]1 ZINC000077800220 441862890 /nfs/dbraw/zinc/86/28/90/441862890.db2.gz BDAMKXHQRISORG-UHFFFAOYSA-N 2 0 331.464 1.803 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174162837 441895445 /nfs/dbraw/zinc/89/54/45/441895445.db2.gz AEUAHBBKNXLOIS-QGZVFWFLSA-N 2 0 338.496 1.226 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000151108936 442007551 /nfs/dbraw/zinc/00/75/51/442007551.db2.gz AYJWJHJVHMJZKH-HNNXBMFYSA-N 2 0 336.480 1.515 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@]1(F)CC[NH2+]C1 ZINC000151109553 442007990 /nfs/dbraw/zinc/00/79/90/442007990.db2.gz VUUCPRBUOOGSCM-KRWDZBQOSA-N 2 0 335.379 1.236 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000125319098 442010084 /nfs/dbraw/zinc/01/00/84/442010084.db2.gz WREIPRRCXWKUSY-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000161898575 442041351 /nfs/dbraw/zinc/04/13/51/442041351.db2.gz GAQRFQNFAVQPHC-MRXNPFEDSA-N 2 0 335.496 1.178 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079490967 442054257 /nfs/dbraw/zinc/05/42/57/442054257.db2.gz DJOFPKDAWGOWQU-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP Cn1cccc1C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000120401155 442063746 /nfs/dbraw/zinc/06/37/46/442063746.db2.gz FALSLBJBZFYMPC-SFHVURJKSA-N 2 0 328.460 1.404 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000079732634 442082017 /nfs/dbraw/zinc/08/20/17/442082017.db2.gz VCHXCVKHYBHXQH-IBGZPJMESA-N 2 0 344.503 1.897 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000175732964 442113656 /nfs/dbraw/zinc/11/36/56/442113656.db2.gz SWGJXVJCAPNLRD-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC1CC[NH+](C)CC1 ZINC000176039867 442165527 /nfs/dbraw/zinc/16/55/27/442165527.db2.gz FUEFMUBJYZSYMV-UHFFFAOYSA-N 2 0 332.448 1.206 20 0 EDADRP C[C@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000165055515 442206119 /nfs/dbraw/zinc/20/61/19/442206119.db2.gz UNQVYJOWQYNBDZ-MRXNPFEDSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H](C)O1 ZINC000165562442 442209949 /nfs/dbraw/zinc/20/99/49/442209949.db2.gz SYGULPDLFRZVMW-ADHGMGHFSA-N 2 0 337.508 1.913 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000166614566 442217777 /nfs/dbraw/zinc/21/77/77/442217777.db2.gz ZRWLVXQTBOLTDE-OWCLPIDISA-N 2 0 342.553 1.084 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152476051 442218078 /nfs/dbraw/zinc/21/80/78/442218078.db2.gz GEBSKKDUMAJSRD-KGLIPLIRSA-N 2 0 337.489 1.730 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000166761962 442218590 /nfs/dbraw/zinc/21/85/90/442218590.db2.gz MAXAHOQVXYWHJU-HNNXBMFYSA-N 2 0 344.459 1.402 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651112 442280034 /nfs/dbraw/zinc/28/00/34/442280034.db2.gz RDANIYHFQJIWEP-IAGOWNOFSA-N 2 0 345.491 1.193 20 0 EDADRP C[C@@H](c1nc(N)nc(N(C)C)n1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000129813337 442332808 /nfs/dbraw/zinc/33/28/08/442332808.db2.gz VYVMYNODZMXXSO-AGIUHOORSA-N 2 0 330.440 1.360 20 0 EDADRP COC(=O)[C@]1(C)CC[NH+](CC(C)C[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000177422929 442339456 /nfs/dbraw/zinc/33/94/56/442339456.db2.gz UPJYSWGLNNYGQF-QZTJIDSGSA-N 2 0 340.464 1.393 20 0 EDADRP CCNC(=O)CC[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177481862 442348105 /nfs/dbraw/zinc/34/81/05/442348105.db2.gz ATVIFJZCPRFLCG-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CC(=O)NCCC[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000177484899 442348149 /nfs/dbraw/zinc/34/81/49/442348149.db2.gz SFGUAKZAAQSUEM-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000177536909 442354803 /nfs/dbraw/zinc/35/48/03/442354803.db2.gz SRKKNDFLAIHPBT-MRXNPFEDSA-N 2 0 332.448 1.239 20 0 EDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000130541306 442349268 /nfs/dbraw/zinc/34/92/68/442349268.db2.gz UYGDQDHMDFXLTE-HZPDHXFCSA-N 2 0 332.448 1.529 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000130743752 442355336 /nfs/dbraw/zinc/35/53/36/442355336.db2.gz JSDTUTFDNMQCQA-OAHLLOKOSA-N 2 0 327.469 1.698 20 0 EDADRP [NH3+]C1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000178824058 442494956 /nfs/dbraw/zinc/49/49/56/442494956.db2.gz FSGOMQNSRGGAEM-MRXNPFEDSA-N 2 0 327.472 1.817 20 0 EDADRP CC[C@@]1(C(=O)NCc2cccc(C(=O)NCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000134584432 442497855 /nfs/dbraw/zinc/49/78/55/442497855.db2.gz MNZXILWVSDAQJP-IBGZPJMESA-N 2 0 346.475 1.126 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000178856641 442504928 /nfs/dbraw/zinc/50/49/28/442504928.db2.gz FMYVEDVWGPGCII-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000186575881 442564977 /nfs/dbraw/zinc/56/49/77/442564977.db2.gz ICNPCPFTOWRQNA-GOSISDBHSA-N 2 0 345.535 1.662 20 0 EDADRP CCOC(=O)N1CCC([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186576621 442565353 /nfs/dbraw/zinc/56/53/53/442565353.db2.gz DFPXHPXNHAKGDW-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cc(C)on2)[C@H](C)C1 ZINC000187015018 442645391 /nfs/dbraw/zinc/64/53/91/442645391.db2.gz FPCBAJSWESHXOO-HIFRSBDPSA-N 2 0 338.452 1.648 20 0 EDADRP CC(C)Cn1ccnc1CNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000173189294 442620834 /nfs/dbraw/zinc/62/08/34/442620834.db2.gz BCSVRIUWAIFSSO-CABCVRRESA-N 2 0 337.468 1.448 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000173213573 442625869 /nfs/dbraw/zinc/62/58/69/442625869.db2.gz LGMBXOWYWDKSBZ-QGZVFWFLSA-N 2 0 342.443 1.159 20 0 EDADRP COC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000187882104 442696354 /nfs/dbraw/zinc/69/63/54/442696354.db2.gz GYTUJLMUQAWLSF-BQFCYCMXSA-N 2 0 328.497 1.907 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)C1 ZINC000187945559 442699251 /nfs/dbraw/zinc/69/92/51/442699251.db2.gz MKAFEIKSBDUKBE-RBUKOAKNSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+]1CC(C)(C)O ZINC000187286336 442667568 /nfs/dbraw/zinc/66/75/68/442667568.db2.gz MEQKIXPOHMHQBA-CQSZACIVSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188142745 442715884 /nfs/dbraw/zinc/71/58/84/442715884.db2.gz JMIQKVXZRFYRAV-HUUCEWRRSA-N 2 0 334.464 1.369 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@H]1C[NH2+]CCO1 ZINC000188255887 442730068 /nfs/dbraw/zinc/73/00/68/442730068.db2.gz ZTMMBCVPDZJEPD-GFCCVEGCSA-N 2 0 325.375 1.098 20 0 EDADRP C[C@@H]([NH2+]CC1(C[NH2+][C@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438909 442766983 /nfs/dbraw/zinc/76/69/83/442766983.db2.gz WTMMQHPSYFMNQR-HZPDHXFCSA-N 2 0 340.508 1.812 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000246264591 442767881 /nfs/dbraw/zinc/76/78/81/442767881.db2.gz LISCCSXTUIVHCP-HZMVEIRTSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000246333542 442773185 /nfs/dbraw/zinc/77/31/85/442773185.db2.gz IILOWIOBYQOJGV-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000247305036 442846264 /nfs/dbraw/zinc/84/62/64/442846264.db2.gz PUCWJEMNHZLCQS-SOLBZPMBSA-N 2 0 337.508 1.866 20 0 EDADRP CCN(CC)c1ccc(CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)cn1 ZINC000265649411 442862986 /nfs/dbraw/zinc/86/29/86/442862986.db2.gz XBQMZDXOJGZXCH-MRXNPFEDSA-N 2 0 349.479 1.448 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000268139996 442865184 /nfs/dbraw/zinc/86/51/84/442865184.db2.gz QSGHNYVZHPCUFP-SUMDDJOVSA-N 2 0 344.503 1.941 20 0 EDADRP Cc1ccccc1NC(=O)CC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182950003 442852840 /nfs/dbraw/zinc/85/28/40/442852840.db2.gz BHDLIXYVHMAGNG-UHFFFAOYSA-N 2 0 332.492 1.893 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCN(c2nccn2C)CC1)c1ccccc1 ZINC000265745166 442904320 /nfs/dbraw/zinc/90/43/20/442904320.db2.gz HGHSRRCIRUDXCB-KRWDZBQOSA-N 2 0 341.459 1.762 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183220469 442906464 /nfs/dbraw/zinc/90/64/64/442906464.db2.gz LIKCWGCXFZUKAF-INIZCTEOSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000248941680 442938990 /nfs/dbraw/zinc/93/89/90/442938990.db2.gz CUBQEDHSPLIEGR-QLPKVWCKSA-N 2 0 339.505 1.282 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000268392261 442972907 /nfs/dbraw/zinc/97/29/07/442972907.db2.gz LFTZBAHNLCAAMJ-UHFFFAOYSA-N 2 0 349.442 1.957 20 0 EDADRP CC[C@@]1(CO)CCC[NH+]1CCOCC[N@H+]1CCC[C@@]1(CC)CO ZINC000189610417 442984987 /nfs/dbraw/zinc/98/49/87/442984987.db2.gz GRYXEUUSCAGHSP-ROUUACIJSA-N 2 0 328.497 1.477 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266094091 443015574 /nfs/dbraw/zinc/01/55/74/443015574.db2.gz FSRVGEUBXQBBOO-UHFFFAOYSA-N 2 0 344.503 1.753 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000184393194 443016768 /nfs/dbraw/zinc/01/67/68/443016768.db2.gz MPJBSJQKUZGYPG-INIZCTEOSA-N 2 0 332.492 1.504 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O)c1ccccc1 ZINC000184583830 443044603 /nfs/dbraw/zinc/04/46/03/443044603.db2.gz YTPOYEUXZISUMG-JTUYAUNFSA-N 2 0 345.487 1.498 20 0 EDADRP OCc1ccc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266189747 443050523 /nfs/dbraw/zinc/05/05/23/443050523.db2.gz XZVLSYPXFLCKDJ-APWZRJJASA-N 2 0 330.428 1.745 20 0 EDADRP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000236663888 443142898 /nfs/dbraw/zinc/14/28/98/443142898.db2.gz KXFBTIOJLBNPFK-TWMKSMIVSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000268974703 443163491 /nfs/dbraw/zinc/16/34/91/443163491.db2.gz IYIVZDKMJMLVBE-GFCCVEGCSA-N 2 0 344.452 1.337 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000190683505 443164091 /nfs/dbraw/zinc/16/40/91/443164091.db2.gz DFNUXMFFWVPYON-QGZVFWFLSA-N 2 0 345.491 1.639 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H](C[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237501834 443174107 /nfs/dbraw/zinc/17/41/07/443174107.db2.gz IUWMAICFVLLLRF-NUJGCVRESA-N 2 0 333.476 1.735 20 0 EDADRP O=C(CCN1CCO[C@H](c2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000261957746 443176009 /nfs/dbraw/zinc/17/60/09/443176009.db2.gz AHMSHORBJIKIGN-INIZCTEOSA-N 2 0 337.851 1.535 20 0 EDADRP COCC1(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262419445 443194567 /nfs/dbraw/zinc/19/45/67/443194567.db2.gz UTHKGKQOKGICQF-IYBDPMFKSA-N 2 0 325.497 1.487 20 0 EDADRP CO[C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000190618817 443149811 /nfs/dbraw/zinc/14/98/11/443149811.db2.gz XJFVRLBSXIVUFL-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268964938 443161300 /nfs/dbraw/zinc/16/13/00/443161300.db2.gz GTBXVAMWPIXOPS-MRXNPFEDSA-N 3 0 335.492 1.734 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000245455972 443229645 /nfs/dbraw/zinc/22/96/45/443229645.db2.gz SVHDHWCUPSHMGN-GJZGRUSLSA-N 2 0 338.496 1.807 20 0 EDADRP CC(C)C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000245483879 443230835 /nfs/dbraw/zinc/23/08/35/443230835.db2.gz GHDZOIQDIZOPIY-MSOLQXFVSA-N 2 0 339.524 1.827 20 0 EDADRP Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000262678300 443207163 /nfs/dbraw/zinc/20/71/63/443207163.db2.gz UONYNODBCNMLCW-KBPBESRZSA-N 2 0 348.495 1.361 20 0 EDADRP CN1CCN(C)[C@@H](c2noc(-c3cc(-n4ccnc4)ccn3)n2)C1 ZINC000350051711 319040566 /nfs/dbraw/zinc/04/05/66/319040566.db2.gz YFECVIOFBULRAX-CQSZACIVSA-N 2 0 325.376 1.236 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397498226 319134535 /nfs/dbraw/zinc/13/45/35/319134535.db2.gz DEBREHYETPPXEH-GOSISDBHSA-N 3 0 335.492 1.357 20 0 EDADRP COC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000397603598 319136020 /nfs/dbraw/zinc/13/60/20/319136020.db2.gz OTFOPCBMCANFNI-HXUWFJFHSA-N 2 0 345.487 1.641 20 0 EDADRP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000269245129 443248412 /nfs/dbraw/zinc/24/84/12/443248412.db2.gz ZKGAUUMTTLTQNA-CRAIPNDOSA-N 2 0 330.476 1.243 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269261899 443256161 /nfs/dbraw/zinc/25/61/61/443256161.db2.gz MVLBKLIPMXQMPM-RBUKOAKNSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)CC1(C(=O)N[C@H](CO)C[NH+]2CCCCC2)CCCCC1 ZINC000413821793 319292107 /nfs/dbraw/zinc/29/21/07/319292107.db2.gz SKUKRXLZLAFQIZ-INIZCTEOSA-N 2 0 325.497 1.462 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064055 319314929 /nfs/dbraw/zinc/31/49/29/319314929.db2.gz FHQORNRUNKEDBX-STQMWFEESA-N 2 0 342.281 1.931 20 0 EDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414320391 319324544 /nfs/dbraw/zinc/32/45/44/319324544.db2.gz BVISYTQQRYJSIV-HUUCEWRRSA-N 2 0 333.476 1.897 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000414653637 319336826 /nfs/dbraw/zinc/33/68/26/319336826.db2.gz AZYBYJUKZHELRE-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCSC[C@@H]2c2ccccc2)C1 ZINC000414671876 319339464 /nfs/dbraw/zinc/33/94/64/319339464.db2.gz GWUBIFZDIQJVIY-DOTOQJQBSA-N 2 0 333.501 1.974 20 0 EDADRP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684371 319342171 /nfs/dbraw/zinc/34/21/71/319342171.db2.gz VITMMBCCBXIZAC-MGPQQGTHSA-N 2 0 325.478 1.715 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(OC3CCCCC3)CC2)C1 ZINC000414690768 319343220 /nfs/dbraw/zinc/34/32/20/319343220.db2.gz IJBKSKSZVRMHRI-INIZCTEOSA-N 2 0 337.508 1.997 20 0 EDADRP Cc1ccc(NC(=O)N2CCO[C@@H](C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415199835 319350191 /nfs/dbraw/zinc/35/01/91/319350191.db2.gz DNLWZGVYMRQFGW-AWEZNQCLSA-N 2 0 336.436 1.127 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1 ZINC000415213783 319351846 /nfs/dbraw/zinc/35/18/46/319351846.db2.gz FOAJLBSMEDGCLH-YOEHRIQHSA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)c1 ZINC000415296927 319360233 /nfs/dbraw/zinc/36/02/33/319360233.db2.gz DFQHKFVHAUUOSN-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000269272750 443261034 /nfs/dbraw/zinc/26/10/34/443261034.db2.gz UGAZPPZFOFUNDD-HNNXBMFYSA-N 2 0 349.450 1.785 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000269279563 443264522 /nfs/dbraw/zinc/26/45/22/443264522.db2.gz ZJSQHOCIZLIKBT-SJORKVTESA-N 2 0 333.476 1.803 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246126118 443270216 /nfs/dbraw/zinc/27/02/16/443270216.db2.gz AMVGXUNUALRWGP-OWCLPIDISA-N 2 0 342.528 1.761 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)cc1 ZINC000264509700 443311372 /nfs/dbraw/zinc/31/13/72/443311372.db2.gz LGXUERZXBSAOPD-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417368540 319494505 /nfs/dbraw/zinc/49/45/05/319494505.db2.gz RDPJMYKPUZNBLS-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417366462 319494580 /nfs/dbraw/zinc/49/45/80/319494580.db2.gz ORQUWTBRRRVOKP-MRXNPFEDSA-N 2 0 348.491 1.816 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418569269 319506227 /nfs/dbraw/zinc/50/62/27/319506227.db2.gz HUUWWKBKXXUDQD-AETAKHFUSA-N 2 0 348.466 1.816 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)N1CCc2ccccc21 ZINC000266946322 443299372 /nfs/dbraw/zinc/29/93/72/443299372.db2.gz SKRGMKJQGQTZOG-UHFFFAOYSA-N 2 0 344.503 1.535 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc1)C(C)C ZINC000264700837 443381183 /nfs/dbraw/zinc/38/11/83/443381183.db2.gz DBGPDNDXBNAWIA-LJQANCHMSA-N 2 0 346.519 1.893 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650323 443396112 /nfs/dbraw/zinc/39/61/12/443396112.db2.gz FFZZGFPHRQZSBH-CJNGLKHVSA-N 2 0 332.448 1.235 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000269689791 443397814 /nfs/dbraw/zinc/39/78/14/443397814.db2.gz NTBQUTDBUGQKGQ-CPUCHLNUSA-N 2 0 329.444 1.991 20 0 EDADRP O=CN1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000278828871 443455271 /nfs/dbraw/zinc/45/52/71/443455271.db2.gz TVASBWCJJBUCLL-LJQANCHMSA-N 2 0 331.460 1.354 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(=O)N(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000422924046 319737145 /nfs/dbraw/zinc/73/71/45/319737145.db2.gz XMFGTETVUDLFCV-UONOGXRCSA-N 2 0 339.480 1.297 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950942 319740829 /nfs/dbraw/zinc/74/08/29/319740829.db2.gz XFGTXSFBCLAKAI-JGGQBBKZSA-N 2 0 325.478 1.715 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)CC[NH2+]CC1 ZINC000423140601 319752885 /nfs/dbraw/zinc/75/28/85/319752885.db2.gz MUDVDWDDHDKQIW-CQSZACIVSA-N 2 0 348.491 1.710 20 0 EDADRP NC(=O)C1CC[NH+](C[C@H](NCCC[NH3+])c2ccc(Cl)cc2)CC1 ZINC000423187074 319755556 /nfs/dbraw/zinc/75/55/56/319755556.db2.gz KULZWRWOVXDPPM-INIZCTEOSA-N 2 0 338.883 1.517 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423341607 319765512 /nfs/dbraw/zinc/76/55/12/319765512.db2.gz WPSQMYMZMJPEST-WFASDCNBSA-N 2 0 347.488 1.971 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423405072 319772015 /nfs/dbraw/zinc/77/20/15/319772015.db2.gz JARRNUBECDFAHN-UHFFFAOYSA-N 2 0 345.487 1.633 20 0 EDADRP CC(C)(C)N1CC[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000425415880 319837255 /nfs/dbraw/zinc/83/72/55/319837255.db2.gz HHSDELSUPGIJAH-QGZVFWFLSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000265353149 443614236 /nfs/dbraw/zinc/61/42/36/443614236.db2.gz KPHSHUBEGBSYQA-SFHVURJKSA-N 2 0 331.460 1.685 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCC[NH2+]C1 ZINC000435099219 320010341 /nfs/dbraw/zinc/01/03/41/320010341.db2.gz RWBPZVDFHGDWJY-LJQANCHMSA-N 2 0 331.460 1.972 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000439081220 320040018 /nfs/dbraw/zinc/04/00/18/320040018.db2.gz VGKLUCGKUBHINI-OAHLLOKOSA-N 2 0 348.491 1.942 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](C)C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358752 320127602 /nfs/dbraw/zinc/12/76/02/320127602.db2.gz ARNLTMAQJUMUIG-WMZOPIPTSA-N 2 0 339.524 1.801 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000449623047 320195382 /nfs/dbraw/zinc/19/53/82/320195382.db2.gz KYOLLRKDFLXXIA-HUUCEWRRSA-N 2 0 325.403 1.997 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000449623048 320195390 /nfs/dbraw/zinc/19/53/90/320195390.db2.gz KYOLLRKDFLXXIA-LSDHHAIUSA-N 2 0 325.403 1.997 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000449715876 320201823 /nfs/dbraw/zinc/20/18/23/320201823.db2.gz BXCDAFPMYJEUHT-MSOLQXFVSA-N 2 0 344.503 1.751 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000449743122 320203607 /nfs/dbraw/zinc/20/36/07/320203607.db2.gz UXBQYINCANGKRL-AEFFLSMTSA-N 2 0 331.460 1.841 20 0 EDADRP C[C@@H](CNC(=O)NCCCC[N@H+](C)C1CC1)C[NH+]1CCN(C)CC1 ZINC000454618911 320291725 /nfs/dbraw/zinc/29/17/25/320291725.db2.gz LWWPVSYYYGMLIB-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCCCC1 ZINC000457441825 320326004 /nfs/dbraw/zinc/32/60/04/320326004.db2.gz UMZXQRUJKXSHMG-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCCCC1 ZINC000457448285 320326372 /nfs/dbraw/zinc/32/63/72/320326372.db2.gz ZFTPGBWZWHDTTH-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000457469336 320327086 /nfs/dbraw/zinc/32/70/86/320327086.db2.gz CPBVRTHJMPVKKG-SOLBZPMBSA-N 2 0 332.492 1.893 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000457504481 320328655 /nfs/dbraw/zinc/32/86/55/320328655.db2.gz GUBHYEZFTZCAJQ-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000516649381 320439779 /nfs/dbraw/zinc/43/97/79/320439779.db2.gz KIYBYFJWMBHRGO-QWHCGFSZSA-N 2 0 342.534 1.470 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000517473892 320449851 /nfs/dbraw/zinc/44/98/51/320449851.db2.gz FMKSMWZWXGMXRI-SFHVURJKSA-N 2 0 345.487 1.790 20 0 EDADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000280853051 443759843 /nfs/dbraw/zinc/75/98/43/443759843.db2.gz MTKOOVAOMCMXNT-RTBURBONSA-N 2 0 332.488 1.928 20 0 EDADRP C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)s1)[NH+](C)C ZINC000298608277 443815893 /nfs/dbraw/zinc/81/58/93/443815893.db2.gz IZDMNHUUJSYRPI-RYUDHWBXSA-N 2 0 340.493 1.108 20 0 EDADRP C[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000529913876 320601176 /nfs/dbraw/zinc/60/11/76/320601176.db2.gz OUSHKHDBCBTQKH-BRWVUGGUSA-N 2 0 337.508 1.961 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C2)C1 ZINC000292786634 443843322 /nfs/dbraw/zinc/84/33/22/443843322.db2.gz YJNXURZGSHHGFE-QAPCUYQASA-N 2 0 329.448 1.398 20 0 EDADRP C[C@@H](Oc1ccc(F)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357596 320656727 /nfs/dbraw/zinc/65/67/27/320656727.db2.gz GWPKLZHMEIISEA-CQSZACIVSA-N 2 0 325.428 1.545 20 0 EDADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCOC1 ZINC000537488674 320735138 /nfs/dbraw/zinc/73/51/38/320735138.db2.gz YLCAKNOIUPENPJ-QRVBRYPASA-N 2 0 347.503 1.680 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000277525577 444000166 /nfs/dbraw/zinc/00/01/66/444000166.db2.gz OHWUAIVOYOAXQB-FQEVSTJZSA-N 2 0 349.519 1.524 20 0 EDADRP CN(Cc1cccs1)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000299557335 444079252 /nfs/dbraw/zinc/07/92/52/444079252.db2.gz GMGIWUULWXJLEY-UHFFFAOYSA-N 2 0 338.521 1.276 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)nn1 ZINC000561280104 321038922 /nfs/dbraw/zinc/03/89/22/321038922.db2.gz FDFMVTYZXFVOKC-INIZCTEOSA-N 2 0 346.410 1.542 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457033 321058591 /nfs/dbraw/zinc/05/85/91/321058591.db2.gz RJFURAJSISHAHK-MFKMUULPSA-N 2 0 349.859 1.297 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139085 321098379 /nfs/dbraw/zinc/09/83/79/321098379.db2.gz VJCBLBSEDRTKLQ-PMACEKPBSA-N 2 0 347.503 1.188 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000563692162 321112570 /nfs/dbraw/zinc/11/25/70/321112570.db2.gz LCQPGPJYWBITLU-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cc[nH]c(=O)c1 ZINC000564860106 321152325 /nfs/dbraw/zinc/15/23/25/321152325.db2.gz NDERBVWWNFAFAP-KBXCAEBGSA-N 2 0 327.428 1.857 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000565183351 321174697 /nfs/dbraw/zinc/17/46/97/321174697.db2.gz VVFMYKHXAFDCQX-HNNXBMFYSA-N 2 0 325.522 1.806 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299592747 444089307 /nfs/dbraw/zinc/08/93/07/444089307.db2.gz WMOQXHWOJGRTKD-GOSISDBHSA-N 2 0 330.476 1.857 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567047042 321240163 /nfs/dbraw/zinc/24/01/63/321240163.db2.gz GNJJXKVMPJJTDC-RYRKJORJSA-N 2 0 337.508 1.628 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000568231761 321283527 /nfs/dbraw/zinc/28/35/27/321283527.db2.gz JNQOWQKVBCDAQX-FZCLSBEQSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568389340 321289091 /nfs/dbraw/zinc/28/90/91/321289091.db2.gz DSPPMVGODGFKPH-BRWVUGGUSA-N 2 0 325.497 1.221 20 0 EDADRP OCC[C@@H]1CCC[NH+]1Cc1cncc(C[N@H+]2CCC[C@H]2CCO)c1 ZINC000568473948 321292776 /nfs/dbraw/zinc/29/27/76/321292776.db2.gz FJBNRXCTPZIXQC-OALUTQOASA-N 2 0 333.476 1.775 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000569001236 321314378 /nfs/dbraw/zinc/31/43/78/321314378.db2.gz YXSWUWSKOHFYNB-APWZRJJASA-N 2 0 331.460 1.081 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](COc3ccccc3)C2)C1 ZINC000569319000 321323921 /nfs/dbraw/zinc/32/39/21/321323921.db2.gz OOUZIPKXJZDKDK-IAGOWNOFSA-N 2 0 331.460 1.585 20 0 EDADRP CCCCOc1ccc([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000569833952 321330087 /nfs/dbraw/zinc/33/00/87/321330087.db2.gz LZNOAWGNTWBUNF-HNNXBMFYSA-N 2 0 349.475 1.957 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000570815185 321359741 /nfs/dbraw/zinc/35/97/41/321359741.db2.gz FJQCNFFMUZCVFR-LFVTVUPYSA-N 2 0 328.460 1.666 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000570817370 321360152 /nfs/dbraw/zinc/36/01/52/321360152.db2.gz PHJGEATWBNVSOH-INIZCTEOSA-N 2 0 326.485 1.127 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)nc1 ZINC000294614143 444129887 /nfs/dbraw/zinc/12/98/87/444129887.db2.gz QZWQBSOZBSFFKR-KRWDZBQOSA-N 2 0 345.491 1.842 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CCOC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000294798874 444144201 /nfs/dbraw/zinc/14/42/01/444144201.db2.gz MPRNIABBJLZYRX-GOSISDBHSA-N 2 0 333.476 1.410 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1OC ZINC000285927204 444155519 /nfs/dbraw/zinc/15/55/19/444155519.db2.gz FCANUUOIDCBYEH-PBHICJAKSA-N 2 0 336.476 1.990 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)ccn1 ZINC000573954016 321465272 /nfs/dbraw/zinc/46/52/72/321465272.db2.gz JQMSEVSZQPWNDM-SFHVURJKSA-N 2 0 347.434 1.854 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1c1ccccc1F ZINC000574086423 321469092 /nfs/dbraw/zinc/46/90/92/321469092.db2.gz RRKBYOWOFXUHTN-UHOSZYNNSA-N 2 0 339.414 1.966 20 0 EDADRP Cc1nc(C)c(C)c(N2CCCN(CC(=O)N3CCCC3)CC2)n1 ZINC000301452577 444172509 /nfs/dbraw/zinc/17/25/09/444172509.db2.gz URRWHQBXNOFEPW-UHFFFAOYSA-N 2 0 331.464 1.536 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000289681333 444189945 /nfs/dbraw/zinc/18/99/45/444189945.db2.gz DQJXCVWUJQGWLL-INIZCTEOSA-N 2 0 333.432 1.544 20 0 EDADRP CC(C)[N@@H+]1[C@@H]2CC[C@H]1CN(C[C@H](O)C[NH+]1C[C@@H](C)O[C@H](C)C1)CC2 ZINC000304409607 444248991 /nfs/dbraw/zinc/24/89/91/444248991.db2.gz UFWOKUMLGVAHDC-QQXKLLMISA-N 2 0 339.524 1.404 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000303241014 444235149 /nfs/dbraw/zinc/23/51/49/444235149.db2.gz BLFKXYWAZPWIEM-HOTGVXAUSA-N 2 0 325.497 1.270 20 0 EDADRP Cc1cc(F)ccc1[C@@H](O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305711450 444274540 /nfs/dbraw/zinc/27/45/40/444274540.db2.gz FLTTUQVTRTVJBI-MSOLQXFVSA-N 2 0 349.450 1.582 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851131 444292748 /nfs/dbraw/zinc/29/27/48/444292748.db2.gz OLABSKSGTLRVBE-ICSRJNTNSA-N 2 0 345.487 1.641 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[NH2+]1 ZINC000578234022 321744064 /nfs/dbraw/zinc/74/40/64/321744064.db2.gz JBHVPYMXAGZCOA-WDSOQIARSA-N 2 0 344.503 1.479 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000578331567 321758401 /nfs/dbraw/zinc/75/84/01/321758401.db2.gz CBXOHFRJMDLQGU-CRAIPNDOSA-N 2 0 345.491 1.948 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000337811693 444418733 /nfs/dbraw/zinc/41/87/33/444418733.db2.gz OIZPSVWUTNJLHN-GOEBONIOSA-N 2 0 328.526 1.455 20 0 EDADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)O[C@@H](C)C2 ZINC000326992444 444379446 /nfs/dbraw/zinc/37/94/46/444379446.db2.gz BHILWMGNQZVGNQ-KBPBESRZSA-N 2 0 347.459 1.306 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000340471646 444391349 /nfs/dbraw/zinc/39/13/49/444391349.db2.gz FASRHXYQQYKNOO-DLBZAZTESA-N 2 0 345.553 1.350 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331235188 444453431 /nfs/dbraw/zinc/45/34/31/444453431.db2.gz SVFNKAYTLNMMQN-MRXNPFEDSA-N 2 0 339.505 1.899 20 0 EDADRP CN1CCN(c2ncc(C[N@@H+]3CCC[C@@H]3[C@H]3CCCOC3)cn2)CC1 ZINC000580075382 322006489 /nfs/dbraw/zinc/00/64/89/322006489.db2.gz IUBVPLZXNCFSOX-ZWKOTPCHSA-N 2 0 345.491 1.619 20 0 EDADRP CC[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000580171432 322017467 /nfs/dbraw/zinc/01/74/67/322017467.db2.gz JSWFVEXQZDRHSX-MSOLQXFVSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000580572452 322070276 /nfs/dbraw/zinc/07/02/76/322070276.db2.gz XCSPYTKHWKYNMS-KRWDZBQOSA-N 2 0 347.507 1.981 20 0 EDADRP C[C@@H]1CN(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000580823800 322100004 /nfs/dbraw/zinc/10/00/04/322100004.db2.gz ZWASHCJQDWYGAR-IIHSZXCVSA-N 2 0 334.508 1.972 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@H]2CCC[C@H]21 ZINC000580908332 322111540 /nfs/dbraw/zinc/11/15/40/322111540.db2.gz IOONCURCKOEPJN-IXDOHACOSA-N 2 0 334.485 1.979 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000581543479 322189969 /nfs/dbraw/zinc/18/99/69/322189969.db2.gz INRPAPWOENQSAU-CQSZACIVSA-N 2 0 338.883 1.894 20 0 EDADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000581603014 322197463 /nfs/dbraw/zinc/19/74/63/322197463.db2.gz GKZRCZFSBCQJBP-ROUUACIJSA-N 2 0 335.492 1.269 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000581983991 322240379 /nfs/dbraw/zinc/24/03/79/322240379.db2.gz KRCPBWFTSBKVJQ-ATZDWAIDSA-N 2 0 342.443 1.938 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)N2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000343706728 444533615 /nfs/dbraw/zinc/53/36/15/444533615.db2.gz HIQVZOPEUKIXRM-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP CC[C@@H]1C[N@H+](CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)C[C@@H]1O ZINC000341006633 444627506 /nfs/dbraw/zinc/62/75/06/444627506.db2.gz HVEPVDJTKSQRRQ-LMMKCTJWSA-N 2 0 345.487 1.595 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCO[C@@H]2CCCCO2)CC1 ZINC000338275281 444605301 /nfs/dbraw/zinc/60/53/01/444605301.db2.gz PGCPCXWGVQXXJH-SJLPKXTDSA-N 2 0 328.497 1.944 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000333222363 444648859 /nfs/dbraw/zinc/64/88/59/444648859.db2.gz WIMRUTJYBDSHCF-INIZCTEOSA-N 2 0 348.495 2.146 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341096226 444672531 /nfs/dbraw/zinc/67/25/31/444672531.db2.gz AJOZTLOXHOWAJY-QGZVFWFLSA-N 2 0 348.491 1.287 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333486752 444675884 /nfs/dbraw/zinc/67/58/84/444675884.db2.gz CUKKYMBTGHBEQI-ZGRYLRDCSA-N 2 0 337.512 1.114 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)C2 ZINC000333882378 444707036 /nfs/dbraw/zinc/70/70/36/444707036.db2.gz WORSHLYCMSTJPQ-NZSAHSFTSA-N 2 0 346.471 1.966 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@H]1CCCC[NH2+]C1 ZINC000333945138 444724823 /nfs/dbraw/zinc/72/48/23/444724823.db2.gz SNLJUFOOOYRTGV-HNNXBMFYSA-N 2 0 340.537 1.789 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333589640 444683339 /nfs/dbraw/zinc/68/33/39/444683339.db2.gz UZPKEGXGBAWRLJ-ASSUQBBCSA-N 2 0 334.508 1.909 20 0 EDADRP CC1CCC(NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)CC1 ZINC000344034405 444741051 /nfs/dbraw/zinc/74/10/51/444741051.db2.gz RGQHTKVDIHAMCZ-UHFFFAOYSA-N 2 0 326.529 1.497 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000334049190 444761573 /nfs/dbraw/zinc/76/15/73/444761573.db2.gz ZRDYFBNQRJQNMC-CABCVRRESA-N 2 0 339.484 1.359 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1CC ZINC000342650459 444796956 /nfs/dbraw/zinc/79/69/56/444796956.db2.gz JOWCQKGQFPYAJW-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)NC(C)(C)C ZINC000344173452 444821259 /nfs/dbraw/zinc/82/12/59/444821259.db2.gz UUIVEEFKJDRCEM-INIZCTEOSA-N 2 0 326.529 1.639 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341427903 444824091 /nfs/dbraw/zinc/82/40/91/444824091.db2.gz HTEUYKBZENVLJM-KRWDZBQOSA-N 2 0 337.533 1.947 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000344188533 444829793 /nfs/dbraw/zinc/82/97/93/444829793.db2.gz FZKXRUIKAZGIGN-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000344210834 444841897 /nfs/dbraw/zinc/84/18/97/444841897.db2.gz LXAYPMBWATUHHJ-CRAIPNDOSA-N 2 0 332.492 1.408 20 0 EDADRP C[C@@H]1CN(c2cc(N3C[C@H](C)[NH+](C)[C@@H](C)C3)ncn2)C[C@@H](C)[NH+]1C ZINC000338785946 444850809 /nfs/dbraw/zinc/85/08/09/444850809.db2.gz CBSFWBDHVUCTTQ-RUPPMWDTSA-N 2 0 332.496 1.534 20 0 EDADRP CN(c1ccccc1C[NH2+][C@H]1CCC(=O)NC1)C1CC[NH+](C)CC1 ZINC000344263652 444870559 /nfs/dbraw/zinc/87/05/59/444870559.db2.gz QNLLSZLEFSZAMF-INIZCTEOSA-N 2 0 330.476 1.585 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@H](c2nccn2C)C2CC2)CC1 ZINC000342798358 444871802 /nfs/dbraw/zinc/87/18/02/444871802.db2.gz UZKOIMHJNBGMNF-KRWDZBQOSA-N 2 0 333.480 1.404 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338939489 444945217 /nfs/dbraw/zinc/94/52/17/444945217.db2.gz CNUIWWIEOGVOES-JENIJYKNSA-N 2 0 342.524 1.841 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@@H]1[NH+](C)C ZINC000342951828 444962468 /nfs/dbraw/zinc/96/24/68/444962468.db2.gz SKOJUJDGWQLKTG-GUYCJALGSA-N 2 0 336.455 1.979 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCN3CCOC[C@@H]3C)CC2)CC1 ZINC000337191053 444979671 /nfs/dbraw/zinc/97/96/71/444979671.db2.gz SZGBATGWUWLJGG-SFHVURJKSA-N 2 0 338.540 1.198 20 0 EDADRP Cc1cc(CN2C[C@@H](F)C[C@H]2CNc2ccnc(N(C)C)n2)on1 ZINC000342986936 444990809 /nfs/dbraw/zinc/99/08/09/444990809.db2.gz DFVFSRRKNNCLJQ-STQMWFEESA-N 2 0 334.399 1.864 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(O[C@@H]3CCOC3)CC2)CC1 ZINC000337249406 445002309 /nfs/dbraw/zinc/00/23/09/445002309.db2.gz LVLGLRNUGINAPG-LJQANCHMSA-N 2 0 339.524 1.672 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)N(C)CCC[NH+]1CCCC1 ZINC000337268906 445010089 /nfs/dbraw/zinc/01/00/89/445010089.db2.gz LDDFTEDOCHHWJH-NSHDSACASA-N 2 0 338.374 1.181 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000337362758 445048278 /nfs/dbraw/zinc/04/82/78/445048278.db2.gz JFGVKBCLIHWWFN-KRWDZBQOSA-N 2 0 340.512 1.374 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)CC(C)C ZINC000341897107 445058618 /nfs/dbraw/zinc/05/86/18/445058618.db2.gz KARGWOQRDOGHHA-SJORKVTESA-N 2 0 327.513 1.827 20 0 EDADRP C[C@@H](CC(N)=O)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000341899886 445061180 /nfs/dbraw/zinc/06/11/80/445061180.db2.gz ODNCLGFFDGSIKC-KRWDZBQOSA-N 2 0 332.492 1.438 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCN(C(=O)C[NH+](C)C)CC1 ZINC000337411018 445068516 /nfs/dbraw/zinc/06/85/16/445068516.db2.gz VYIBEQKSDIUOSY-UHFFFAOYSA-N 2 0 340.512 1.121 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)CCO1 ZINC000337420134 445072788 /nfs/dbraw/zinc/07/27/88/445072788.db2.gz PNFXMXUDYHHWCW-ZHALLVOQSA-N 2 0 349.523 1.456 20 0 EDADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1)N1CCSCC1 ZINC000344733873 445138392 /nfs/dbraw/zinc/13/83/92/445138392.db2.gz WBTAOHCORFMRAQ-CABCVRRESA-N 2 0 325.522 1.757 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)C[C@H]3C)ncn2)[C@H](C)C1 ZINC000343247270 445159388 /nfs/dbraw/zinc/15/93/88/445159388.db2.gz GRRNLIJFQXPWNO-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)[C@@H]2COCCN2CC2CCC2)C[C@@H](C)C1 ZINC000346242148 445209057 /nfs/dbraw/zinc/20/90/57/445209057.db2.gz RKSFQSXQIQTJLF-NBMJBFSESA-N 2 0 349.519 1.676 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H]1CCO[C@@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000343402940 445216651 /nfs/dbraw/zinc/21/66/51/445216651.db2.gz MRMMVWNDFNAPBD-NEWSRXKRSA-N 2 0 349.523 1.359 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCCn3ccnc3C)cc2)CC1 ZINC000345692901 445196686 /nfs/dbraw/zinc/19/66/86/445196686.db2.gz DQGVLGZIKCSNRT-UHFFFAOYSA-N 2 0 341.459 1.763 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCC[N@@H+]1C ZINC000345735021 445197480 /nfs/dbraw/zinc/19/74/80/445197480.db2.gz CYUWFZCGILCUQB-ZBFHGGJFSA-N 2 0 326.485 1.221 20 0 EDADRP CSC[C@H](O)C[N@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346936983 445228282 /nfs/dbraw/zinc/22/82/82/445228282.db2.gz SHVOMRIEUSLSBL-IIAWOOMASA-N 2 0 326.510 1.459 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CC1 ZINC000348099732 445267905 /nfs/dbraw/zinc/26/79/05/445267905.db2.gz CRKWBWZJZQVQTM-CABCVRRESA-N 2 0 337.430 1.960 20 0 EDADRP CC[NH+]1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000347710962 445245770 /nfs/dbraw/zinc/24/57/70/445245770.db2.gz YBUWAEFLZBVZEO-LNLFQRSKSA-N 2 0 346.519 1.820 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(-n2ccnn2)c1 ZINC000348117434 445276726 /nfs/dbraw/zinc/27/67/26/445276726.db2.gz XICOKNMOEGPHBC-HNNXBMFYSA-N 2 0 329.448 1.622 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@@H](C)C1 ZINC000348684331 445347598 /nfs/dbraw/zinc/34/75/98/445347598.db2.gz PCGRTQDPWHAFBN-WDSOQIARSA-N 2 0 335.492 1.884 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[N@@H+]1C ZINC000356999031 445368738 /nfs/dbraw/zinc/36/87/38/445368738.db2.gz UTLRTXBCPQCBNS-MRXNPFEDSA-N 2 0 325.403 1.949 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356999030 445369114 /nfs/dbraw/zinc/36/91/14/445369114.db2.gz UTLRTXBCPQCBNS-INIZCTEOSA-N 2 0 325.403 1.949 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2ccccc12 ZINC000348831742 445407181 /nfs/dbraw/zinc/40/71/81/445407181.db2.gz IRBNFYCEXWCGOJ-MRXNPFEDSA-N 2 0 343.475 1.822 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C2CCC2)C1 ZINC000357033640 445385863 /nfs/dbraw/zinc/38/58/63/445385863.db2.gz HMPGOCWHMZBKFN-NVXWUHKLSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355101828 445444345 /nfs/dbraw/zinc/44/43/45/445444345.db2.gz ISINOOHHAZTCJR-HZPDHXFCSA-N 2 0 339.528 1.137 20 0 EDADRP [NH3+]Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc(C(F)(F)F)c1 ZINC000362585098 445451611 /nfs/dbraw/zinc/45/16/11/445451611.db2.gz BUNBUEYZGMLFKR-CYBMUJFWSA-N 2 0 331.338 1.871 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000359911132 445484130 /nfs/dbraw/zinc/48/41/30/445484130.db2.gz KTMIOFZBQPNGIW-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362802709 445556340 /nfs/dbraw/zinc/55/63/40/445556340.db2.gz VEMCCYRFPPTKFZ-ZBFHGGJFSA-N 2 0 331.464 1.554 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000357599549 445569738 /nfs/dbraw/zinc/56/97/38/445569738.db2.gz NERWBAFVMCMPNY-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000360138173 445590351 /nfs/dbraw/zinc/59/03/51/445590351.db2.gz ZRNXKISWUYMMGD-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355941530 445538223 /nfs/dbraw/zinc/53/82/23/445538223.db2.gz LLDANAFRWFMKJB-KRWDZBQOSA-N 2 0 342.528 1.857 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000353456406 445610065 /nfs/dbraw/zinc/61/00/65/445610065.db2.gz ZOSPBXNLLLCEPK-DLBZAZTESA-N 2 0 345.491 1.228 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000358308388 445616286 /nfs/dbraw/zinc/61/62/86/445616286.db2.gz IYPCBJOMEVWJKC-INIZCTEOSA-N 2 0 347.507 1.684 20 0 EDADRP COc1ccc2nc(C[N@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)[nH]c2n1 ZINC000353472750 445617700 /nfs/dbraw/zinc/61/77/00/445617700.db2.gz BLYZYADWOCWNAJ-CYBMUJFWSA-N 2 0 347.463 1.491 20 0 EDADRP COc1ccccc1[C@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358513118 445626022 /nfs/dbraw/zinc/62/60/22/445626022.db2.gz VYFNCRYOMFWOHD-HNNXBMFYSA-N 2 0 331.460 1.948 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000353501188 445631576 /nfs/dbraw/zinc/63/15/76/445631576.db2.gz LDGAFBMNWPDJDK-GOSISDBHSA-N 2 0 333.480 1.357 20 0 EDADRP COC(=O)[C@](C)(O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000353505781 445633952 /nfs/dbraw/zinc/63/39/52/445633952.db2.gz YUCLMAIYZNONMU-IIDMSEBBSA-N 2 0 342.480 1.122 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000349663589 445639871 /nfs/dbraw/zinc/63/98/71/445639871.db2.gz DUDIUOCEPCPTBB-KRWDZBQOSA-N 2 0 342.553 1.941 20 0 EDADRP C[C@H](C[NH2+][C@H](c1ccccc1)c1cncnc1)N1CC[NH+](C)CC1 ZINC000349450175 445590952 /nfs/dbraw/zinc/59/09/52/445590952.db2.gz GOWYBPXUUAMCGU-VQIMIIECSA-N 2 0 325.460 1.792 20 0 EDADRP CC[C@@H]1C[C@H](C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCO1 ZINC000353670275 445700813 /nfs/dbraw/zinc/70/08/13/445700813.db2.gz KVCLMQLXEMEPDK-IAGOWNOFSA-N 2 0 325.497 1.773 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353686518 445707423 /nfs/dbraw/zinc/70/74/23/445707423.db2.gz RBNFRINUZJOKAI-HNNXBMFYSA-N 2 0 349.479 1.652 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000356290089 445720660 /nfs/dbraw/zinc/72/06/60/445720660.db2.gz XJJFNNIJHKAHOH-LJQANCHMSA-N 2 0 349.519 1.966 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000349758688 445669214 /nfs/dbraw/zinc/66/92/14/445669214.db2.gz OCQCCRLOEHRJDW-UXLLHSPISA-N 2 0 338.496 1.364 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358699365 445724741 /nfs/dbraw/zinc/72/47/41/445724741.db2.gz YAJYCLREBHZMOQ-LJQANCHMSA-N 2 0 348.491 1.393 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349934200 445725872 /nfs/dbraw/zinc/72/58/72/445725872.db2.gz MTFZQLJPPLCXTE-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363286202 445752736 /nfs/dbraw/zinc/75/27/36/445752736.db2.gz FANBZTJRYGFZRW-NQYYFHDYSA-N 2 0 349.519 1.722 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000361250394 445757096 /nfs/dbraw/zinc/75/70/96/445757096.db2.gz JBNVDWWJKYZORV-GXTWGEPZSA-N 2 0 331.420 1.737 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000353802237 445762960 /nfs/dbraw/zinc/76/29/60/445762960.db2.gz LSVCUQAZLSZNAR-LJQANCHMSA-N 2 0 347.503 1.729 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000361494397 445787660 /nfs/dbraw/zinc/78/76/60/445787660.db2.gz HCPGFZNSBAVSBA-BZSNNMDCSA-N 2 0 338.540 1.782 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000350218121 445794667 /nfs/dbraw/zinc/79/46/67/445794667.db2.gz PQGOLRVXXHUFHR-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]CC1=CCCOC1 ZINC000363510830 445838132 /nfs/dbraw/zinc/83/81/32/445838132.db2.gz CQKQBLYUXOQUGE-UHFFFAOYSA-N 2 0 333.480 1.307 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000390642568 325732367 /nfs/dbraw/zinc/73/23/67/325732367.db2.gz LZVJINOQEVHHCU-UHFFFAOYSA-N 2 0 331.460 1.536 20 0 EDADRP CCC[C@H](C(=O)N(CCC)CCN1CC[NH+](CC)CC1)[NH+](C)C ZINC000356580373 445870564 /nfs/dbraw/zinc/87/05/64/445870564.db2.gz PFTDQMDFFACMAR-QGZVFWFLSA-N 2 0 326.529 1.593 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364007526 445889838 /nfs/dbraw/zinc/88/98/38/445889838.db2.gz XFEOYFQMOFDBNK-INIZCTEOSA-N 2 0 342.528 1.451 20 0 EDADRP C[C@@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356624021 445894111 /nfs/dbraw/zinc/89/41/11/445894111.db2.gz SESOWCSHFMJPPR-BBWFWOEESA-N 2 0 326.529 1.590 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000369153759 445956943 /nfs/dbraw/zinc/95/69/43/445956943.db2.gz FMCKMZBRJUMWBB-QGZVFWFLSA-N 2 0 338.540 1.639 20 0 EDADRP CC[C@]1(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC[NH2+]C1 ZINC000361801314 445957353 /nfs/dbraw/zinc/95/73/53/445957353.db2.gz UNQIDVSXKJBANN-IBGZPJMESA-N 2 0 345.491 1.940 20 0 EDADRP C[NH+](C)[C@H]1CCCN(CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000372992212 445963704 /nfs/dbraw/zinc/96/37/04/445963704.db2.gz XCFXBSCQEXSLGV-INIZCTEOSA-N 2 0 325.403 1.997 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)n(C)c1C ZINC000366046969 445980914 /nfs/dbraw/zinc/98/09/14/445980914.db2.gz XDCILHLWLTUIDR-OAHLLOKOSA-N 2 0 348.491 1.378 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)C(C)C ZINC000361832839 445989435 /nfs/dbraw/zinc/98/94/35/445989435.db2.gz KLDDKMVJKGDMKV-UHFFFAOYSA-N 2 0 348.491 1.842 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)C1CC[NH+](C)CC1 ZINC000364694008 445946754 /nfs/dbraw/zinc/94/67/54/445946754.db2.gz FXTSTSIILSULPM-ROUUACIJSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(CN1CC[NH+](CCC2CC[NH2+]CC2)CC1)N1CCCCCC1 ZINC000359212725 446041702 /nfs/dbraw/zinc/04/17/02/446041702.db2.gz FDGMPFJDNAZJHN-UHFFFAOYSA-N 2 0 336.524 1.396 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000583153375 326015409 /nfs/dbraw/zinc/01/54/09/326015409.db2.gz KMQWOYPBLSPJOK-FUHWJXTLSA-N 2 0 341.459 1.272 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000365148057 446053875 /nfs/dbraw/zinc/05/38/75/446053875.db2.gz ZONLBECCGLKVNE-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220846 446089877 /nfs/dbraw/zinc/08/98/77/446089877.db2.gz WCTSCGHLPFGFPT-RRQGHBQHSA-N 2 0 328.420 1.176 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CC2(CCC2)C(=O)O1 ZINC000365266794 446112823 /nfs/dbraw/zinc/11/28/23/446112823.db2.gz LSXYNBYNEXFVFN-YYIAUSFCSA-N 2 0 336.476 1.951 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@H]1C ZINC000354331187 446118172 /nfs/dbraw/zinc/11/81/72/446118172.db2.gz QIQFMLUIVIOKHU-VGWMRTNUSA-N 2 0 339.480 1.141 20 0 EDADRP O=C(CNC(=O)[C@H]1CCC[NH2+]1)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000351561147 446159709 /nfs/dbraw/zinc/15/97/09/446159709.db2.gz XWSGWVQENKPXMV-QGZVFWFLSA-N 2 0 344.459 1.132 20 0 EDADRP C[C@H](CC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000366345092 446166312 /nfs/dbraw/zinc/16/63/12/446166312.db2.gz HPAULEHSGZLUKA-NJAFHUGGSA-N 2 0 337.508 1.629 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375009 446174933 /nfs/dbraw/zinc/17/49/33/446174933.db2.gz DCZCAVNEJBLMFT-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000356945294 446146760 /nfs/dbraw/zinc/14/67/60/446146760.db2.gz WDHDQOKOHPOYSP-LSDHHAIUSA-N 2 0 327.513 1.704 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000370283908 446212373 /nfs/dbraw/zinc/21/23/73/446212373.db2.gz WEIOZGPPCCJPHB-YLJYHZDGSA-N 2 0 347.503 1.863 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)CCCSC1 ZINC000362117643 446223075 /nfs/dbraw/zinc/22/30/75/446223075.db2.gz KAUDPTPTWDIWPI-NVXWUHKLSA-N 2 0 343.537 1.167 20 0 EDADRP CC[NH+](C)CCNc1nc(NCC[N@@H+](C)CC)nc2ccccc21 ZINC000359484760 446251610 /nfs/dbraw/zinc/25/16/10/446251610.db2.gz FYYPLULIOTWTMJ-UHFFFAOYSA-N 2 0 330.480 1.201 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365553426 446252351 /nfs/dbraw/zinc/25/23/51/446252351.db2.gz BFAPVNPEGORWIC-PMPSAXMXSA-N 2 0 338.496 1.269 20 0 EDADRP CN(C[C@H]1CCc2nccn2C1)c1ccnc(N2CCOCC2)n1 ZINC000366540820 446255695 /nfs/dbraw/zinc/25/56/95/446255695.db2.gz ONTPCCBNPVSLCA-CQSZACIVSA-N 2 0 328.420 1.209 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCN(C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000359500079 446260741 /nfs/dbraw/zinc/26/07/41/446260741.db2.gz ADYDSIKNUMSIFY-ULQDDVLXSA-N 2 0 325.497 1.410 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000359607248 446316937 /nfs/dbraw/zinc/31/69/37/446316937.db2.gz DJSUMTBIXMIBHW-RBUKOAKNSA-N 2 0 345.487 1.744 20 0 EDADRP [NH3+][C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000417369914 446349783 /nfs/dbraw/zinc/34/97/83/446349783.db2.gz RYVCPMBZXLLKBZ-CZUORRHYSA-N 2 0 336.505 1.997 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000374178843 446356745 /nfs/dbraw/zinc/35/67/45/446356745.db2.gz ZDXOKLJTVYCWCX-INIZCTEOSA-N 2 0 343.537 1.466 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C12CCOCC2 ZINC000374230675 446358267 /nfs/dbraw/zinc/35/82/67/446358267.db2.gz OUJHGRUUXQYIIB-IAGOWNOFSA-N 2 0 339.524 1.576 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000417509292 446358757 /nfs/dbraw/zinc/35/87/57/446358757.db2.gz VFQFGDSWLXWJFJ-QGZVFWFLSA-N 2 0 330.476 1.732 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417510608 446358820 /nfs/dbraw/zinc/35/88/20/446358820.db2.gz XJKGMPZVSCCAON-ROUUACIJSA-N 2 0 330.476 1.460 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000417515606 446359666 /nfs/dbraw/zinc/35/96/66/446359666.db2.gz LKYFGOMEBFDRCA-WMZOPIPTSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417527075 446361595 /nfs/dbraw/zinc/36/15/95/446361595.db2.gz NWTCYACXDMFRKC-RDJZCZTQSA-N 2 0 348.491 1.609 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417534542 446362359 /nfs/dbraw/zinc/36/23/59/446362359.db2.gz ZHJJUMHLAVLZDU-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417535186 446362976 /nfs/dbraw/zinc/36/29/76/446362976.db2.gz BMPNZSWYLNCYMF-HUUCEWRRSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417544440 446363531 /nfs/dbraw/zinc/36/35/31/446363531.db2.gz MTXXWVXDYZBBSW-SJLPKXTDSA-N 2 0 347.507 1.402 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417548750 446363619 /nfs/dbraw/zinc/36/36/19/446363619.db2.gz RQEZCDVBZZAINO-HOCLYGCPSA-N 2 0 340.512 1.787 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417547651 446364241 /nfs/dbraw/zinc/36/42/41/446364241.db2.gz OWVGACUMZMEPQD-INIZCTEOSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633890 446365397 /nfs/dbraw/zinc/36/53/97/446365397.db2.gz JFPGGONDVUIIJS-AIANPOQGSA-N 2 0 330.476 1.683 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)C1 ZINC000417896423 446379049 /nfs/dbraw/zinc/37/90/49/446379049.db2.gz VUJBEHOZWKPSMY-KZNAEPCWSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000417928932 446389210 /nfs/dbraw/zinc/38/92/10/446389210.db2.gz IBCDEGJOKKKFEK-KTAKPFMOSA-N 2 0 331.464 1.738 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC2([NH3+])CCCCC2)ccn1 ZINC000417952231 446397457 /nfs/dbraw/zinc/39/74/57/446397457.db2.gz OCEYYTDCQQMQCJ-UHFFFAOYSA-N 2 0 349.479 1.483 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccccc1 ZINC000417952152 446397504 /nfs/dbraw/zinc/39/75/04/446397504.db2.gz XULBEUUHNWUFHZ-XMTFNYHQSA-N 2 0 328.460 1.968 20 0 EDADRP C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417988730 446408732 /nfs/dbraw/zinc/40/87/32/446408732.db2.gz HTTCEKHIUPLGCD-OWYHZJEWSA-N 2 0 342.487 1.900 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996239 446410200 /nfs/dbraw/zinc/41/02/00/446410200.db2.gz QVUZEUIFABUGLT-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418017494 446416476 /nfs/dbraw/zinc/41/64/76/446416476.db2.gz YDFUECNQKFJCJO-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418017698 446417483 /nfs/dbraw/zinc/41/74/83/446417483.db2.gz SWSLQXGMGCKQRV-ATLSCFEFSA-N 2 0 330.476 1.886 20 0 EDADRP O=S1(=O)CCC[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000366946018 446421674 /nfs/dbraw/zinc/42/16/74/446421674.db2.gz QVFMITAKUOJTHP-KRWDZBQOSA-N 2 0 344.521 1.246 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)CN2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420292725 446456371 /nfs/dbraw/zinc/45/63/71/446456371.db2.gz MARPXZMGVMUJSS-ZDUSSCGKSA-N 2 0 333.432 1.861 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418204341 446457486 /nfs/dbraw/zinc/45/74/86/446457486.db2.gz XMEGGCROAXSAOQ-LSDHHAIUSA-N 2 0 326.485 1.112 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1OC ZINC000420295980 446458762 /nfs/dbraw/zinc/45/87/62/446458762.db2.gz CTYXRWPSGDZNEY-OAHLLOKOSA-N 2 0 347.459 1.461 20 0 EDADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423235341 446460806 /nfs/dbraw/zinc/46/08/06/446460806.db2.gz QXNYGVGKBOXBQK-KGLIPLIRSA-N 2 0 341.477 1.095 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420301902 446464521 /nfs/dbraw/zinc/46/45/21/446464521.db2.gz FJDPEAFZKHYURP-UHFFFAOYSA-N 2 0 331.416 1.487 20 0 EDADRP O=C1CNCCN1[C@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000420307817 446470686 /nfs/dbraw/zinc/47/06/86/446470686.db2.gz MQUSEAOARWWCJM-LBPRGKRZSA-N 2 0 343.258 1.785 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000420309463 446472014 /nfs/dbraw/zinc/47/20/14/446472014.db2.gz TYRGNBYZUSTKQX-QGZVFWFLSA-N 2 0 344.459 1.852 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420317190 446481823 /nfs/dbraw/zinc/48/18/23/446481823.db2.gz MPGFPCCJEQPVHL-ROUUACIJSA-N 2 0 333.476 1.534 20 0 EDADRP CCc1nc(CN2C[C@H]3C[NH+](CCC[NH+]4CCCCC4)C[C@@H]3C2)no1 ZINC000376406153 446479131 /nfs/dbraw/zinc/47/91/31/446479131.db2.gz CMUOVDYQJSARNN-IAGOWNOFSA-N 2 0 347.507 1.872 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn(CCCC[NH3+])nn2)CCCCCC1 ZINC000423303568 446479867 /nfs/dbraw/zinc/47/98/67/446479867.db2.gz JBYPJBVNQYKNEE-UHFFFAOYSA-N 2 0 336.484 1.401 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418190755 446453843 /nfs/dbraw/zinc/45/38/43/446453843.db2.gz WVEVZUXPDVWNIK-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420317377 446483478 /nfs/dbraw/zinc/48/34/78/446483478.db2.gz MWXPUWVUQKVWPP-JKSUJKDBSA-N 2 0 348.466 1.770 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420326153 446493511 /nfs/dbraw/zinc/49/35/11/446493511.db2.gz XDSLKYPHWOBLKQ-MSOLQXFVSA-N 2 0 336.524 1.395 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@@H]21 ZINC000418330042 446502653 /nfs/dbraw/zinc/50/26/53/446502653.db2.gz PGXAXLCDJMZHOR-ROUUACIJSA-N 2 0 345.491 1.687 20 0 EDADRP CCOCCN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1CC ZINC000423374660 446506567 /nfs/dbraw/zinc/50/65/67/446506567.db2.gz CPYFDENKKQRJOK-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418365900 446515545 /nfs/dbraw/zinc/51/55/45/446515545.db2.gz KCGRHCGDMLTDML-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418323602 446497231 /nfs/dbraw/zinc/49/72/31/446497231.db2.gz FUUDCEJPQIUZAU-UHFFFAOYSA-N 2 0 345.491 1.737 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C ZINC000418323418 446497315 /nfs/dbraw/zinc/49/73/15/446497315.db2.gz HNVFRGSYANPOFE-KBPBESRZSA-N 2 0 341.431 1.113 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423354393 446497670 /nfs/dbraw/zinc/49/76/70/446497670.db2.gz CVSDLDKVSILKEZ-QXSJWSMHSA-N 2 0 347.507 1.973 20 0 EDADRP CC[NH2+]CCNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418317322 446497855 /nfs/dbraw/zinc/49/78/55/446497855.db2.gz MEVIDDKIQMCKLE-UHFFFAOYSA-N 2 0 347.507 1.055 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000418324015 446498534 /nfs/dbraw/zinc/49/85/34/446498534.db2.gz VJFMJDYKPLQRMR-AWEZNQCLSA-N 2 0 326.485 1.135 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418325291 446498561 /nfs/dbraw/zinc/49/85/61/446498561.db2.gz IQEJZJTZVMGJDM-MSOLQXFVSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000418483936 446561603 /nfs/dbraw/zinc/56/16/03/446561603.db2.gz FYEOVVOWFSHXKX-ILXRZTDVSA-N 2 0 334.464 1.303 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000418490075 446563979 /nfs/dbraw/zinc/56/39/79/446563979.db2.gz MRCJFMHSSTUTEW-HNNXBMFYSA-N 2 0 348.491 1.741 20 0 EDADRP CC1(C(=O)N2CCO[C@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000423535997 446565342 /nfs/dbraw/zinc/56/53/42/446565342.db2.gz GDWIQVAGYDGJPQ-QGZVFWFLSA-N 2 0 331.460 1.475 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433372723 446565689 /nfs/dbraw/zinc/56/56/89/446565689.db2.gz AXOAELQMOHLIQX-MRXNPFEDSA-N 2 0 348.495 1.397 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000418376838 446520794 /nfs/dbraw/zinc/52/07/94/446520794.db2.gz APNBNWSCHREDMA-UYSNPLJNSA-N 2 0 326.485 1.399 20 0 EDADRP O=C1[C@@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1cccc(F)c1 ZINC000420347414 446523672 /nfs/dbraw/zinc/52/36/72/446523672.db2.gz GPAIIKLCDUMNFJ-MSOLQXFVSA-N 2 0 346.450 1.301 20 0 EDADRP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349098 446525970 /nfs/dbraw/zinc/52/59/70/446525970.db2.gz NSJPYDXCZNRPDA-OKZBNKHCSA-N 2 0 344.503 1.540 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418394856 446527743 /nfs/dbraw/zinc/52/77/43/446527743.db2.gz SBSVZVXWSOUBHY-JLJPHGGASA-N 2 0 336.455 1.674 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418402532 446530709 /nfs/dbraw/zinc/53/07/09/446530709.db2.gz HPZDSMRQFZXPTJ-ZACQAIPSSA-N 3 0 339.528 1.171 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000433137351 446535990 /nfs/dbraw/zinc/53/59/90/446535990.db2.gz NZEJLMQINMYAQU-UHFFFAOYSA-N 2 0 347.438 1.564 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358509 446537639 /nfs/dbraw/zinc/53/76/39/446537639.db2.gz JGWMPKZFGDQIGO-CVEARBPZSA-N 2 0 341.459 1.989 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375048956 446541850 /nfs/dbraw/zinc/54/18/50/446541850.db2.gz KVXCEASNQWDBMO-DOTOQJQBSA-N 2 0 331.460 1.793 20 0 EDADRP COc1ccc(OCCN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433178697 446543104 /nfs/dbraw/zinc/54/31/04/446543104.db2.gz WXAZPOQQMXLISK-UHFFFAOYSA-N 2 0 349.475 1.736 20 0 EDADRP CCOC(=O)C1([N@H+](C)CCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000420366898 446546289 /nfs/dbraw/zinc/54/62/89/446546289.db2.gz VCHVDWFPCAJXMG-UHFFFAOYSA-N 2 0 325.453 1.006 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420376720 446555578 /nfs/dbraw/zinc/55/55/78/446555578.db2.gz KDUVPWXWHZJMQH-BHYGNILZSA-N 2 0 341.496 1.136 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418471026 446556959 /nfs/dbraw/zinc/55/69/59/446556959.db2.gz LTUQKMDNKPRBAA-KRWDZBQOSA-N 2 0 347.507 1.040 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000418605083 446611074 /nfs/dbraw/zinc/61/10/74/446611074.db2.gz PJAJKWLIWHUNSV-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](CC[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411510546 446577865 /nfs/dbraw/zinc/57/78/65/446577865.db2.gz YXTOMPUKKUAMAW-NRVHICEFSA-N 2 0 336.520 1.808 20 0 EDADRP CCN(C(=O)NC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418521287 446579804 /nfs/dbraw/zinc/57/98/04/446579804.db2.gz IGUYYTPPXCYPRG-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529358 446581344 /nfs/dbraw/zinc/58/13/44/446581344.db2.gz TXCRPLCWDHBGBX-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000418570019 446597579 /nfs/dbraw/zinc/59/75/79/446597579.db2.gz ONLGAPBMCWDICJ-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000418578756 446602532 /nfs/dbraw/zinc/60/25/32/446602532.db2.gz VXZSWNBLGUJREB-HZPDHXFCSA-N 3 0 327.517 1.042 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418587860 446603238 /nfs/dbraw/zinc/60/32/38/446603238.db2.gz RITOQPNCEXPJQN-ZHALLVOQSA-N 2 0 346.475 1.193 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418586627 446603968 /nfs/dbraw/zinc/60/39/68/446603968.db2.gz QKLIPLDZQHZCOK-GVDBMIGSSA-N 2 0 337.512 1.068 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[NH2+]1 ZINC000418599095 446609822 /nfs/dbraw/zinc/60/98/22/446609822.db2.gz JIIBPORKBAUVTN-HOTGVXAUSA-N 3 0 327.517 1.042 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418702716 446655415 /nfs/dbraw/zinc/65/54/15/446655415.db2.gz HHRNIYCAXZNDAC-KLHDSHLOSA-N 2 0 340.512 1.643 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418733300 446659289 /nfs/dbraw/zinc/65/92/89/446659289.db2.gz RKSBCBFNMALKID-CYBMUJFWSA-N 2 0 328.407 1.775 20 0 EDADRP CN(C(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418745107 446666075 /nfs/dbraw/zinc/66/60/75/446666075.db2.gz VFWHKBMCTKRXID-HUUCEWRRSA-N 2 0 340.418 1.885 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CCOC3C[NH2+]C3)CC2)cc1 ZINC000423733929 446668269 /nfs/dbraw/zinc/66/82/69/446668269.db2.gz QOTNZOVHBHEEMH-UHFFFAOYSA-N 2 0 347.459 1.108 20 0 EDADRP Cc1cnc2c(cccc2S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420448505 446623955 /nfs/dbraw/zinc/62/39/55/446623955.db2.gz FBORGJUZCRNHHR-UHFFFAOYSA-N 2 0 336.461 1.232 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000423652110 446626044 /nfs/dbraw/zinc/62/60/44/446626044.db2.gz SDERBTCZVDLCET-MRXNPFEDSA-N 2 0 333.432 1.608 20 0 EDADRP COCC1(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CC[NH2+]CC1 ZINC000418641688 446628481 /nfs/dbraw/zinc/62/84/81/446628481.db2.gz QIKKMWPCFOKKML-UHFFFAOYSA-N 2 0 340.512 1.424 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000423764027 446693228 /nfs/dbraw/zinc/69/32/28/446693228.db2.gz WNFAUMCETRRXLX-IBGZPJMESA-N 2 0 347.459 1.252 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000418779724 446696734 /nfs/dbraw/zinc/69/67/34/446696734.db2.gz BMSUCLMLXUIESW-KGLIPLIRSA-N 2 0 333.436 1.049 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1(C)C ZINC000368210797 446712276 /nfs/dbraw/zinc/71/22/76/446712276.db2.gz DOJFQNKULPCQIX-GOSISDBHSA-N 2 0 342.503 1.341 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418805168 446713077 /nfs/dbraw/zinc/71/30/77/446713077.db2.gz ZTIVRTQJEUZTOW-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C)cc1 ZINC000418818595 446723571 /nfs/dbraw/zinc/72/35/71/446723571.db2.gz NNCOCODXGUHOAM-IRXDYDNUSA-N 2 0 348.491 1.204 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)COC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423841882 446726018 /nfs/dbraw/zinc/72/60/18/446726018.db2.gz ZYTZWEYKMORIPV-MJGOQNOKSA-N 2 0 345.443 1.078 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000368241868 446733104 /nfs/dbraw/zinc/73/31/04/446733104.db2.gz HVRWTOKGWNTGMK-SFHVURJKSA-N 2 0 343.487 1.504 20 0 EDADRP Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371294606 446750842 /nfs/dbraw/zinc/75/08/42/446750842.db2.gz LWRBRYANNUUKLN-HNBVOPMISA-N 2 0 348.487 1.918 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423905147 446755140 /nfs/dbraw/zinc/75/51/40/446755140.db2.gz OXKFWDLWOPVVPQ-QYZOEREBSA-N 2 0 343.471 1.488 20 0 EDADRP O=C([C@@H]1COCCN1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917424 446766846 /nfs/dbraw/zinc/76/68/46/446766846.db2.gz ZNZPBUSGHHOFBV-CEXWTWQISA-N 2 0 343.471 1.488 20 0 EDADRP C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323359 446785622 /nfs/dbraw/zinc/78/56/22/446785622.db2.gz YRMJVWNPEUBSHS-SIXWZSSISA-N 2 0 342.443 1.298 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000454284452 446833870 /nfs/dbraw/zinc/83/38/70/446833870.db2.gz YKZMTFOXZWUZCR-KRWDZBQOSA-N 2 0 334.464 1.717 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424457963 446876338 /nfs/dbraw/zinc/87/63/38/446876338.db2.gz SCBBOYXNGPHSTA-CQSZACIVSA-N 2 0 332.448 1.240 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000371497989 446893547 /nfs/dbraw/zinc/89/35/47/446893547.db2.gz UWRHFHRPJDANNX-UHFFFAOYSA-N 2 0 333.476 1.933 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509083 446908758 /nfs/dbraw/zinc/90/87/58/446908758.db2.gz XLFIHCHEBMQLCD-RTBURBONSA-N 2 0 338.540 1.198 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000368509080 446909213 /nfs/dbraw/zinc/90/92/13/446909213.db2.gz XLFIHCHEBMQLCD-MOPGFXCFSA-N 2 0 338.540 1.198 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C(N)=O)C[C@H]3CCCC[C@@H]32)CC1 ZINC000375597838 446914904 /nfs/dbraw/zinc/91/49/04/446914904.db2.gz LOSHUZMWYPDXDC-SQNIBIBYSA-N 2 0 336.524 1.521 20 0 EDADRP CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000419134503 446943001 /nfs/dbraw/zinc/94/30/01/446943001.db2.gz KDMPOOWUJZXNIM-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419138294 446948353 /nfs/dbraw/zinc/94/83/53/446948353.db2.gz SFRMLHJITOUWKD-ZDUSSCGKSA-N 2 0 328.501 1.103 20 0 EDADRP Cc1cccc(NC[C@H]2CCCN2CC(=O)NC[C@@H]2CCCO2)n1 ZINC000368570449 446949750 /nfs/dbraw/zinc/94/97/50/446949750.db2.gz UPRQTQIPWPOBMP-CVEARBPZSA-N 2 0 332.448 1.562 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000442766981 446958886 /nfs/dbraw/zinc/95/88/86/446958886.db2.gz XSXAVEIQARQXOT-CVEARBPZSA-N 2 0 348.466 1.534 20 0 EDADRP CS[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1[NH+](C)C ZINC000368601982 446972988 /nfs/dbraw/zinc/97/29/88/446972988.db2.gz HXDBAPDCDYNJEH-YITSKGGISA-N 2 0 325.522 1.644 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000419157245 446973375 /nfs/dbraw/zinc/97/33/75/446973375.db2.gz WEMOINVPUCYBPW-YOEHRIQHSA-N 2 0 348.491 1.382 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000371948219 446977645 /nfs/dbraw/zinc/97/76/45/446977645.db2.gz BQAFTOWOMAZDPQ-MAUKXSAKSA-N 2 0 329.488 1.931 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000419173229 446989218 /nfs/dbraw/zinc/98/92/18/446989218.db2.gz SIPIRENAKMTJLX-NVXWUHKLSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000443058319 447000470 /nfs/dbraw/zinc/00/04/70/447000470.db2.gz KAAJFMYFPNRTCW-MRXNPFEDSA-N 2 0 348.466 1.535 20 0 EDADRP CN1CCO[C@@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@H]21 ZINC000455035456 447032233 /nfs/dbraw/zinc/03/22/33/447032233.db2.gz OSHFZQCKBASCDE-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn2)CC1 ZINC000375889263 447123692 /nfs/dbraw/zinc/12/36/92/447123692.db2.gz OKGNSPFOPJVZHQ-OTWHNJEPSA-N 3 0 343.519 1.796 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444183988 447090798 /nfs/dbraw/zinc/09/07/98/447090798.db2.gz ODHSPDDVDJMNRU-BJLQDIEVSA-N 2 0 327.472 1.967 20 0 EDADRP CCCN1C[C@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1=O ZINC000421355319 447139914 /nfs/dbraw/zinc/13/99/14/447139914.db2.gz UENCTYMRTNAZPT-HNNXBMFYSA-N 2 0 327.432 1.924 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000375912537 447143220 /nfs/dbraw/zinc/14/32/20/447143220.db2.gz PNEKZYJCDCPRSY-GOSISDBHSA-N 2 0 331.460 1.408 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000372578400 447157013 /nfs/dbraw/zinc/15/70/13/447157013.db2.gz RTWJUMYAEHEDLP-KSZLIROESA-N 2 0 345.491 1.858 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000425480876 447184093 /nfs/dbraw/zinc/18/40/93/447184093.db2.gz RGEDFCINIXRVME-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000419484282 447215195 /nfs/dbraw/zinc/21/51/95/447215195.db2.gz SVTLGTBWRLQHBI-OAGGEKHMSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000419504020 447229816 /nfs/dbraw/zinc/22/98/16/447229816.db2.gz UNFSQSFLNADWBM-SJORKVTESA-N 2 0 342.528 1.592 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419589047 447284753 /nfs/dbraw/zinc/28/47/53/447284753.db2.gz OTZJAYQGAKUKOK-HOTGVXAUSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000447592507 447280372 /nfs/dbraw/zinc/28/03/72/447280372.db2.gz LZBVARGHFPHWDO-CQSZACIVSA-N 2 0 343.493 1.166 20 0 EDADRP O[C@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408035 447462130 /nfs/dbraw/zinc/46/21/30/447462130.db2.gz BZAJOJMVENLKFH-WOJBJXKFSA-N 2 0 331.504 1.945 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)Cn1cccn1 ZINC000383346438 447465770 /nfs/dbraw/zinc/46/57/70/447465770.db2.gz MQCSCERAIGNKLR-RBUKOAKNSA-N 2 0 328.460 1.746 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458782239 447477389 /nfs/dbraw/zinc/47/73/89/447477389.db2.gz SCFPPXYXAZLRJQ-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419929542 447496511 /nfs/dbraw/zinc/49/65/11/447496511.db2.gz MPZLXESQHMCGAW-QGZVFWFLSA-N 2 0 346.475 1.137 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC1 ZINC000390920099 447507210 /nfs/dbraw/zinc/50/72/10/447507210.db2.gz HIMYZGQGTZCFBP-SFHVURJKSA-N 2 0 345.487 1.913 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)ccc21 ZINC000415543648 447507487 /nfs/dbraw/zinc/50/74/87/447507487.db2.gz XTZJTVHCXZULDJ-HZPDHXFCSA-N 2 0 330.432 1.028 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000427295853 447576443 /nfs/dbraw/zinc/57/64/43/447576443.db2.gz QOJRHJGIXUTHHT-MRXNPFEDSA-N 2 0 346.475 1.251 20 0 EDADRP CC(C)[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000393083963 447529453 /nfs/dbraw/zinc/52/94/53/447529453.db2.gz IIIZBCHHSYRCIX-MOPGFXCFSA-N 2 0 346.519 1.855 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416008913 447529861 /nfs/dbraw/zinc/52/98/61/447529861.db2.gz ODZGURKDVOJPFO-OLZOCXBDSA-N 2 0 338.418 1.933 20 0 EDADRP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000395760570 447541255 /nfs/dbraw/zinc/54/12/55/447541255.db2.gz KWGWOZMLGCDPOP-IAGOWNOFSA-N 2 0 333.480 1.080 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[NH+](C)C ZINC000459038858 447549200 /nfs/dbraw/zinc/54/92/00/447549200.db2.gz ISLHZPAAHKHEGF-DOTOQJQBSA-N 2 0 333.480 1.495 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)C1 ZINC000459066136 447560412 /nfs/dbraw/zinc/56/04/12/447560412.db2.gz UURJXAIGFLDMEQ-DXMBWKHVSA-N 2 0 334.508 1.983 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C[N@@H+]1CCO ZINC000416299593 447561825 /nfs/dbraw/zinc/56/18/25/447561825.db2.gz CUBBXUJNNGCSBG-SJORKVTESA-N 2 0 345.487 1.348 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000457385392 447570306 /nfs/dbraw/zinc/57/03/06/447570306.db2.gz HGQOGHRXNKAVES-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP CC1(C)CC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC(C)(C)[NH2+]1 ZINC000457397780 447571819 /nfs/dbraw/zinc/57/18/19/447571819.db2.gz WIAZALTWYZKTTR-OAHLLOKOSA-N 2 0 340.512 1.442 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420124168 447617385 /nfs/dbraw/zinc/61/73/85/447617385.db2.gz LWYNXBMZDRZBBA-GRDNDAEWSA-N 2 0 346.475 1.167 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCC[C@H](C)C1 ZINC000457692416 447620593 /nfs/dbraw/zinc/62/05/93/447620593.db2.gz NPOBCOTVPOTENS-VVLHAWIVSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000457758219 447625564 /nfs/dbraw/zinc/62/55/64/447625564.db2.gz QHCAFRBGJSCQMF-OAHLLOKOSA-N 2 0 337.508 1.555 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416852782 447697021 /nfs/dbraw/zinc/69/70/21/447697021.db2.gz NAJOLCIICVKJND-WBVHZDCISA-N 2 0 334.464 1.869 20 0 EDADRP O=C(CC[NH2+][C@@H]1CCC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000422843988 447766194 /nfs/dbraw/zinc/76/61/94/447766194.db2.gz KMQYIHALTUMMOT-QGZVFWFLSA-N 2 0 330.476 1.457 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCC[C@@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000416947482 447722411 /nfs/dbraw/zinc/72/24/11/447722411.db2.gz GWAHVWRQGMZIOH-IRXDYDNUSA-N 2 0 339.528 1.090 20 0 EDADRP CO[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000417017885 447730014 /nfs/dbraw/zinc/73/00/14/447730014.db2.gz CEPJVBPCMIXPFL-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422738994 447733652 /nfs/dbraw/zinc/73/36/52/447733652.db2.gz KPWVZSJPZLFBKR-GUDVDZBRSA-N 2 0 344.503 1.657 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH+]1CCC2CC1 ZINC000496186512 447737416 /nfs/dbraw/zinc/73/74/16/447737416.db2.gz CUOXMJYIMAXJES-SZVBFZGTSA-N 2 0 349.475 1.752 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000422756913 447741414 /nfs/dbraw/zinc/74/14/14/447741414.db2.gz CQNXXWWRISTIDQ-UHFFFAOYSA-N 3 0 330.520 1.911 20 0 EDADRP CCOC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000459713825 447750002 /nfs/dbraw/zinc/75/00/02/447750002.db2.gz NTDPKJKEJQMXSY-KRWDZBQOSA-N 2 0 325.497 1.866 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)CC[NH2+]CC1 ZINC000422801598 447754377 /nfs/dbraw/zinc/75/43/77/447754377.db2.gz CBSXIXBOMWDNAE-GOEBONIOSA-N 2 0 332.444 1.901 20 0 EDADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])cc1OC ZINC000422829316 447762831 /nfs/dbraw/zinc/76/28/31/447762831.db2.gz BSOMAUUQNSZWGS-VHDGCEQUSA-N 2 0 338.448 1.944 20 0 EDADRP C[C@@H](C(=O)NCc1ccccc1F)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430550950 447776422 /nfs/dbraw/zinc/77/64/22/447776422.db2.gz HEQKCRWCSMRERE-AWEZNQCLSA-N 2 0 337.439 1.660 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1OCC(=O)NC[C@@H]1CCCO1 ZINC000422951102 447778878 /nfs/dbraw/zinc/77/88/78/447778878.db2.gz XNOCPFTUMQNEEW-ZOBUZTSGSA-N 2 0 349.475 1.576 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422950216 447778955 /nfs/dbraw/zinc/77/89/55/447778955.db2.gz XLWNTANWSZUECU-GJZGRUSLSA-N 2 0 339.505 1.803 20 0 EDADRP COc1cccc(CNC(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430593546 447782238 /nfs/dbraw/zinc/78/22/38/447782238.db2.gz SUXBBTNHQNMPFQ-HNNXBMFYSA-N 2 0 349.475 1.530 20 0 EDADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000496495282 447791205 /nfs/dbraw/zinc/79/12/05/447791205.db2.gz IORYGYVNEKGQIY-HOTGVXAUSA-N 2 0 342.528 1.905 20 0 EDADRP OC[C@H](C[NH2+]C1CC[NH2+]CC1)Cc1cccc(Br)c1 ZINC000423078225 447799741 /nfs/dbraw/zinc/79/97/41/447799741.db2.gz VQVMYVASBJIQAM-ZDUSSCGKSA-N 2 0 327.266 1.942 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423098805 447804154 /nfs/dbraw/zinc/80/41/54/447804154.db2.gz LNOOIDCHLICERT-FZMZJTMJSA-N 2 0 347.431 1.221 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423111389 447807020 /nfs/dbraw/zinc/80/70/20/447807020.db2.gz WLSXAFLBHRQRHG-NSHDSACASA-N 2 0 335.420 1.350 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487940366 447838237 /nfs/dbraw/zinc/83/82/37/447838237.db2.gz CXFNEURSDOPODL-LISAXSMJSA-N 2 0 347.507 1.459 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000496705007 447852628 /nfs/dbraw/zinc/85/26/28/447852628.db2.gz ZPSQBQAPIZLULF-SFHVURJKSA-N 2 0 343.512 1.974 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000497105906 447859424 /nfs/dbraw/zinc/85/94/24/447859424.db2.gz JCGQRUCYWGIKEW-HUUCEWRRSA-N 2 0 329.485 1.488 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000569904893 447913317 /nfs/dbraw/zinc/91/33/17/447913317.db2.gz GPPJJXYXZQFGIO-GOSISDBHSA-N 2 0 345.491 1.782 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000569843153 447904781 /nfs/dbraw/zinc/90/47/81/447904781.db2.gz MOMPFBTXWZZAPM-AEFFLSMTSA-N 2 0 330.476 1.800 20 0 EDADRP CN(C[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000497201270 447952191 /nfs/dbraw/zinc/95/21/91/447952191.db2.gz GOSMKWOLVQIADD-OWCLPIDISA-N 2 0 341.496 1.630 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530573870 447917070 /nfs/dbraw/zinc/91/70/70/447917070.db2.gz XVHNBGJVRUSTBL-XLIONFOSSA-N 2 0 345.487 1.472 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530587719 447921841 /nfs/dbraw/zinc/92/18/41/447921841.db2.gz SDOYCYWKSPNSFM-QUCCMNQESA-N 2 0 345.487 1.424 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000569976931 447930132 /nfs/dbraw/zinc/93/01/32/447930132.db2.gz CGEQSJYRFQPTIS-KRWDZBQOSA-N 2 0 330.476 1.940 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000530662104 447936439 /nfs/dbraw/zinc/93/64/39/447936439.db2.gz INHKLTSWLUAABA-CQSZACIVSA-N 2 0 346.475 1.453 20 0 EDADRP C[C@@H]1[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC12CCOCC2 ZINC000497223045 447977110 /nfs/dbraw/zinc/97/71/10/447977110.db2.gz RTYBIEKIMAGMBD-HNAYVOBHSA-N 2 0 349.475 1.752 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000525603233 448005312 /nfs/dbraw/zinc/00/53/12/448005312.db2.gz ORWIIJBNXIKNQN-GOSISDBHSA-N 2 0 348.491 1.378 20 0 EDADRP C[C@@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[NH+]1CCCC1 ZINC000525748530 448019956 /nfs/dbraw/zinc/01/99/56/448019956.db2.gz IQGQTWCVDUWRDO-PKOBYXMFSA-N 2 0 345.487 1.878 20 0 EDADRP CC(C)c1cc(N(CCC[NH+](C)C)CCC[NH+](C)C)n2ncnc2n1 ZINC000531433225 448082951 /nfs/dbraw/zinc/08/29/51/448082951.db2.gz DIAGZTYKGVYDFC-UHFFFAOYSA-N 2 0 347.511 1.958 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C1 ZINC000500786492 448089024 /nfs/dbraw/zinc/08/90/24/448089024.db2.gz QPBRSSRPGPIZOO-ULQDDVLXSA-N 2 0 340.512 1.467 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccsc1 ZINC000576868535 448158055 /nfs/dbraw/zinc/15/80/55/448158055.db2.gz LDWZOGBDYHOKSQ-DZGCQCFKSA-N 2 0 348.476 1.124 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000571184150 448120486 /nfs/dbraw/zinc/12/04/86/448120486.db2.gz UMXMYGYVYUJJEE-NJAFHUGGSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000571303871 448133742 /nfs/dbraw/zinc/13/37/42/448133742.db2.gz BZBSJBNOLRANRQ-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCC[C@H](c3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000576927833 448171980 /nfs/dbraw/zinc/17/19/80/448171980.db2.gz DDMLMMUHVYWAPD-KSZLIROESA-N 2 0 330.476 1.997 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000571702126 448193363 /nfs/dbraw/zinc/19/33/63/448193363.db2.gz DCHZZLQMYSTNKH-ZWKOTPCHSA-N 2 0 330.476 1.697 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000577013457 448193848 /nfs/dbraw/zinc/19/38/48/448193848.db2.gz WUECUOVXMQLOBY-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000571757320 448200591 /nfs/dbraw/zinc/20/05/91/448200591.db2.gz BRIWCJWIALLBNR-CQSZACIVSA-N 2 0 330.432 1.204 20 0 EDADRP Cn1c2cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2oc1=O ZINC000527132545 448167511 /nfs/dbraw/zinc/16/75/11/448167511.db2.gz QPDZTSNQDNQOMI-UHFFFAOYSA-N 2 0 349.435 1.089 20 0 EDADRP CN1CCN(C(=O)NCCc2csc(C(C)(C)C)n2)[C@@H](C[NH3+])C1 ZINC000582410012 448229038 /nfs/dbraw/zinc/22/90/38/448229038.db2.gz SYLJTPHYLPWMGS-ZDUSSCGKSA-N 2 0 339.509 1.267 20 0 EDADRP C[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000571893031 448230673 /nfs/dbraw/zinc/23/06/73/448230673.db2.gz DHSGFSXVQGOYQF-HNNXBMFYSA-N 2 0 328.460 1.652 20 0 EDADRP C[NH+]1CCC(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000577121604 448215546 /nfs/dbraw/zinc/21/55/46/448215546.db2.gz FUAZZCJLNGYGHB-MRXNPFEDSA-N 2 0 325.522 1.662 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000577172975 448224800 /nfs/dbraw/zinc/22/48/00/448224800.db2.gz OQVYLAUUYSVPFB-BRWVUGGUSA-N 2 0 327.513 1.168 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000591130252 448269210 /nfs/dbraw/zinc/26/92/10/448269210.db2.gz XUINYEMDOLBHHS-KRWDZBQOSA-N 2 0 346.475 1.791 20 0 EDADRP CC(C)[NH2+]CCC(=O)N[C@H](C)C[NH+]1CCN(c2ccccc2)CC1 ZINC000577278139 448255419 /nfs/dbraw/zinc/25/54/19/448255419.db2.gz SQHMVISQGWKBJT-QGZVFWFLSA-N 2 0 332.492 1.701 20 0 EDADRP CN(C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC([NH3+])C1 ZINC000582655735 448302243 /nfs/dbraw/zinc/30/22/43/448302243.db2.gz XWJYJXQLOULOPY-UHFFFAOYSA-N 2 0 348.413 1.923 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577471470 448305120 /nfs/dbraw/zinc/30/51/20/448305120.db2.gz BQJYHCFWUFIKAE-OAHLLOKOSA-N 2 0 345.491 1.480 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CC[NH+](C)CC1 ZINC000591358434 448340779 /nfs/dbraw/zinc/34/07/79/448340779.db2.gz JPACQCAXBGIHFF-ZIAGYGMSSA-N 2 0 326.510 1.207 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(Cl)cc1 ZINC000591399739 448352108 /nfs/dbraw/zinc/35/21/08/448352108.db2.gz CELXBMGHTQNDIM-UHFFFAOYSA-N 2 0 326.872 1.975 20 0 EDADRP Cn1cc(-c2nc(C[NH2+]CCCN3CCC[N@H+](C)CC3)cs2)cn1 ZINC000527653545 448330963 /nfs/dbraw/zinc/33/09/63/448330963.db2.gz MAWOFVCEXZMSNU-UHFFFAOYSA-N 2 0 348.520 1.661 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000515619271 448335596 /nfs/dbraw/zinc/33/55/96/448335596.db2.gz LUECMZQSWQBKRI-FUHWJXTLSA-N 2 0 346.475 1.359 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000591573202 448393022 /nfs/dbraw/zinc/39/30/22/448393022.db2.gz KJDLTQVCZGRYKR-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527953572 448396748 /nfs/dbraw/zinc/39/67/48/448396748.db2.gz XCIHTTXSKGZATB-GOSISDBHSA-N 2 0 325.497 1.066 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@@]2(CO)COCC3(CCC3)N2C)CC1 ZINC000527952910 448397226 /nfs/dbraw/zinc/39/72/26/448397226.db2.gz WACTUXFIWFQUFD-GOSISDBHSA-N 2 0 325.497 1.065 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000572638906 448429858 /nfs/dbraw/zinc/42/98/58/448429858.db2.gz GRJWERLYUXMLBD-VQIMIIECSA-N 2 0 344.503 1.263 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000584340925 448489091 /nfs/dbraw/zinc/48/90/91/448489091.db2.gz YIBKMVPRACRGGV-IIDMSEBBSA-N 2 0 348.516 1.779 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)C(F)(F)F)CC1 ZINC000584346260 448491826 /nfs/dbraw/zinc/49/18/26/448491826.db2.gz YQODFYCNVCUZPF-LBPRGKRZSA-N 2 0 339.402 1.126 20 0 EDADRP Cc1ccc(SC[C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000516921976 448496467 /nfs/dbraw/zinc/49/64/67/448496467.db2.gz APAMENCRWSETHX-IRXDYDNUSA-N 2 0 337.533 1.674 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000591865216 448508051 /nfs/dbraw/zinc/50/80/51/448508051.db2.gz MXRYOAMWKPZYHX-HZPDHXFCSA-N 2 0 344.459 1.274 20 0 EDADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000584405356 448512767 /nfs/dbraw/zinc/51/27/67/448512767.db2.gz BGZFZABUTHKIJG-QGTPRVQTSA-N 2 0 339.455 1.100 20 0 EDADRP COc1ccc(NC(=O)[C@@H](C)N2CCN(c3ncc[nH]3)CC2)cc1 ZINC000573157134 448555764 /nfs/dbraw/zinc/55/57/64/448555764.db2.gz CIOPWYBWIXBMST-CYBMUJFWSA-N 2 0 329.404 1.568 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000578546876 448578124 /nfs/dbraw/zinc/57/81/24/448578124.db2.gz RNGVJARXDVGWNZ-MJGOQNOKSA-N 2 0 344.503 1.433 20 0 EDADRP Cc1nc(NC[C@H]2CCC[N@@H+](C)C2)cc(NC[C@H]2CCC[NH+](C)C2)[nH+]1 ZINC000536987872 448548997 /nfs/dbraw/zinc/54/89/97/448548997.db2.gz OVJVILWESPPLJM-IAGOWNOFSA-N 3 0 346.523 2.292 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OC[C@@H](O)C[NH+](C)C)cc2)C1 ZINC000567059981 448606206 /nfs/dbraw/zinc/60/62/06/448606206.db2.gz KMFQCOSZFPIQIV-ZBFHGGJFSA-N 2 0 335.448 1.268 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573355211 448606388 /nfs/dbraw/zinc/60/63/88/448606388.db2.gz CPZJHZZTHIZUHI-LCGIIJARSA-N 2 0 337.489 1.633 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000573407131 448618381 /nfs/dbraw/zinc/61/83/81/448618381.db2.gz FPMPPNCDLODPAA-FUHWJXTLSA-N 2 0 337.508 1.747 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000578730491 448619696 /nfs/dbraw/zinc/61/96/96/448619696.db2.gz GKXJVLMILCABGT-HZPDHXFCSA-N 2 0 339.528 1.090 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000566923757 448587267 /nfs/dbraw/zinc/58/72/67/448587267.db2.gz JZRJYPQICQTJAD-GDBMZVCRSA-N 2 0 325.522 1.757 20 0 EDADRP CC[C@@H]1CN(CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000517536010 448588602 /nfs/dbraw/zinc/58/86/02/448588602.db2.gz UQRXOKVOQAHJJH-OAHLLOKOSA-N 2 0 332.448 1.565 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000573307763 448592645 /nfs/dbraw/zinc/59/26/45/448592645.db2.gz IALWWAWAMRTSHH-FVQHAEBGSA-N 2 0 332.423 1.307 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000567228183 448643250 /nfs/dbraw/zinc/64/32/50/448643250.db2.gz JMTAGFBRHOIKAY-GOSISDBHSA-N 2 0 334.460 1.950 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1)C(C)C ZINC000567268631 448655419 /nfs/dbraw/zinc/65/54/19/448655419.db2.gz MBGOTWJUDPXVQZ-GOSISDBHSA-N 2 0 332.492 1.550 20 0 EDADRP [NH3+]C1CCC([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000567333380 448666077 /nfs/dbraw/zinc/66/60/77/448666077.db2.gz XQMBEEHCOGNNLG-UHFFFAOYSA-N 2 0 330.476 1.949 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000567352236 448674230 /nfs/dbraw/zinc/67/42/30/448674230.db2.gz VXRFXADYISRXGG-ZIAGYGMSSA-N 2 0 346.475 1.504 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786132 448711228 /nfs/dbraw/zinc/71/12/28/448711228.db2.gz AMRQRWLCJUVBSA-WMLDXEAASA-N 2 0 326.485 1.175 20 0 EDADRP O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000579100426 448714121 /nfs/dbraw/zinc/71/41/21/448714121.db2.gz YYCCQPHGAHPWIE-IRXDYDNUSA-N 2 0 344.459 1.476 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567382911 448682488 /nfs/dbraw/zinc/68/24/88/448682488.db2.gz DHLPNDUHGVQPGP-UHFFFAOYSA-N 2 0 347.507 1.313 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000579406613 448784676 /nfs/dbraw/zinc/78/46/76/448784676.db2.gz LEFQOSYLGMVWGQ-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592493993 448861796 /nfs/dbraw/zinc/86/17/96/448861796.db2.gz YKQDSGXRERELLI-JYJNAYRXSA-N 2 0 338.496 1.568 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c21 ZINC000592557662 448900480 /nfs/dbraw/zinc/90/04/80/448900480.db2.gz RPEDFGDEZNVFBF-SOUVJXGZSA-N 2 0 331.464 1.181 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]CC2(O)CCS(=O)(=O)CC2)c1 ZINC000579947159 448917828 /nfs/dbraw/zinc/91/78/28/448917828.db2.gz VJEAVQAZTXNWGC-UHFFFAOYSA-N 2 0 340.489 1.168 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c21 ZINC000592537479 448887702 /nfs/dbraw/zinc/88/77/02/448887702.db2.gz FYVBXLVXINDWNI-OFQRWUPVSA-N 2 0 331.464 1.323 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592549073 448892400 /nfs/dbraw/zinc/89/24/00/448892400.db2.gz QUYBHCRWYNZHCJ-INIZCTEOSA-N 2 0 341.459 1.363 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000574861575 448972109 /nfs/dbraw/zinc/97/21/09/448972109.db2.gz LMCJOWFSOIGTJV-BPQIPLTHSA-N 2 0 330.476 1.887 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000521643757 449005635 /nfs/dbraw/zinc/00/56/35/449005635.db2.gz NNFMCPWCPSJTTC-ZWKOTPCHSA-N 2 0 336.524 1.570 20 0 EDADRP O=C(CC[NH+]1CCC(Oc2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000530223581 449085714 /nfs/dbraw/zinc/08/57/14/449085714.db2.gz NTJOWMHPUOSMCJ-UHFFFAOYSA-N 2 0 335.423 1.491 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)([NH+](C)C)C1 ZINC000592956489 449076499 /nfs/dbraw/zinc/07/64/99/449076499.db2.gz HEKIFGBSDVVLNL-VCBZYWHSSA-N 2 0 347.507 1.960 20 0 EDADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000575326858 449078070 /nfs/dbraw/zinc/07/80/70/449078070.db2.gz INWKAWVWKIKSLU-OAHLLOKOSA-N 2 0 334.464 1.549 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548720402 449089878 /nfs/dbraw/zinc/08/98/78/449089878.db2.gz XZUKZDOYGZRQQC-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC[NH+](C)CC1 ZINC000599923682 449110131 /nfs/dbraw/zinc/11/01/31/449110131.db2.gz LQVLMUNQZTXSLC-ZDUSSCGKSA-N 2 0 326.510 1.398 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900830 449241980 /nfs/dbraw/zinc/24/19/80/449241980.db2.gz MVIFYSJWOUPKIM-GDBMZVCRSA-N 2 0 338.496 1.568 20 0 EDADRP COC(=O)c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)n1C ZINC000602011223 449273566 /nfs/dbraw/zinc/27/35/66/449273566.db2.gz IMCXLELDQMMOEW-UHFFFAOYSA-N 2 0 343.431 1.571 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CNc3ccccc3C2)CC[NH2+]CC1 ZINC000593318200 449224081 /nfs/dbraw/zinc/22/40/81/449224081.db2.gz BAMQRKDIGAQZTJ-ZBFHGGJFSA-N 2 0 331.460 1.934 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)ccn2)CC1 ZINC000617014925 449431105 /nfs/dbraw/zinc/43/11/05/449431105.db2.gz QXMAVSNSRCMARG-MRXNPFEDSA-N 2 0 345.491 1.436 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H](C)[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000613952141 449395329 /nfs/dbraw/zinc/39/53/29/449395329.db2.gz BABNSAREEVVVRD-FPCVCCKLSA-N 2 0 342.528 1.168 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000606659094 449500480 /nfs/dbraw/zinc/50/04/80/449500480.db2.gz MVDULXPEOGWONZ-AWEZNQCLSA-N 2 0 326.485 1.127 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2Cc3ccccc3NC2=O)CC[NH2+]CC1 ZINC000600707876 449507545 /nfs/dbraw/zinc/50/75/45/449507545.db2.gz BWEOOJHQYVILPO-CJNGLKHVSA-N 2 0 345.443 1.461 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000607230708 449588589 /nfs/dbraw/zinc/58/85/89/449588589.db2.gz BACGGJBNCJQGKB-DLBZAZTESA-N 3 0 341.544 1.384 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC000607690484 449636115 /nfs/dbraw/zinc/63/61/15/449636115.db2.gz UERTVDSHYHMDRN-NJAFHUGGSA-N 2 0 330.476 1.893 20 0 EDADRP COC(=O)CC1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000599029344 449703548 /nfs/dbraw/zinc/70/35/48/449703548.db2.gz HCXJKKRDDVVWRO-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1F ZINC000597056227 449787830 /nfs/dbraw/zinc/78/78/30/449787830.db2.gz AWFIOPBVBUXGQH-OAHLLOKOSA-N 2 0 338.423 1.939 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617700682 449747101 /nfs/dbraw/zinc/74/71/01/449747101.db2.gz JOFJYQPXKZTZKC-ROUUACIJSA-N 2 0 331.460 1.354 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCO)CC1)c1cccs1 ZINC000601205287 449749647 /nfs/dbraw/zinc/74/96/47/449749647.db2.gz CTCVZIBLSROJFU-CQSZACIVSA-N 2 0 340.493 1.107 20 0 EDADRP CC(C)(C)OC(=O)[C@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597085315 449803540 /nfs/dbraw/zinc/80/35/40/449803540.db2.gz CUGQVNSIYOHFHG-QGZVFWFLSA-N 2 0 332.404 1.450 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000594942608 449815032 /nfs/dbraw/zinc/81/50/32/449815032.db2.gz KEMMAIZUJVQHRL-VIBAHUMZSA-N 2 0 332.444 1.540 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608361788 449819256 /nfs/dbraw/zinc/81/92/56/449819256.db2.gz QRRADVCRXJXRAO-IRXDYDNUSA-N 2 0 341.496 1.007 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000594975322 449826439 /nfs/dbraw/zinc/82/64/39/449826439.db2.gz QUWLTHCHWABBIX-BVPBIZIASA-N 2 0 332.444 1.540 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)c1sccc1C[NH+](C)C ZINC000617765648 449827108 /nfs/dbraw/zinc/82/71/08/449827108.db2.gz KWNCFGJRALCDKI-UHFFFAOYSA-N 2 0 326.510 1.423 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000617765280 449827364 /nfs/dbraw/zinc/82/73/64/449827364.db2.gz ZPMINKVVSRFGGS-UHFFFAOYSA-N 2 0 346.519 1.435 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612930189 449945111 /nfs/dbraw/zinc/94/51/11/449945111.db2.gz MZMPJQIQCDTPPC-XYJFISCASA-N 2 0 332.448 1.192 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612988202 449972411 /nfs/dbraw/zinc/97/24/11/449972411.db2.gz PDWXEFVRZMSBEA-MRXNPFEDSA-N 2 0 334.464 1.885 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000595311523 450023687 /nfs/dbraw/zinc/02/36/87/450023687.db2.gz HLRGNXPGMJFDPI-KRWDZBQOSA-N 2 0 325.460 1.842 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000615262480 450025230 /nfs/dbraw/zinc/02/52/30/450025230.db2.gz GHDIKWHINPCBOO-UHOSZYNNSA-N 2 0 349.519 1.963 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000620770528 450540925 /nfs/dbraw/zinc/54/09/25/450540925.db2.gz CCVPAWHFPKSUPO-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCO1 ZINC000623621545 450553475 /nfs/dbraw/zinc/55/34/75/450553475.db2.gz KGVYJRCPRACZSL-RBUKOAKNSA-N 2 0 334.460 1.791 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccccc1 ZINC000626015270 450554398 /nfs/dbraw/zinc/55/43/98/450554398.db2.gz OTDYFDSCOLBERN-CMKODMSKSA-N 2 0 345.487 1.500 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650549 450559639 /nfs/dbraw/zinc/55/96/39/450559639.db2.gz MCCSQUVLDZTYQS-KBPBESRZSA-N 2 0 329.452 1.165 20 0 EDADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCCCO1 ZINC000623943687 450645104 /nfs/dbraw/zinc/64/51/04/450645104.db2.gz GOJZTYBLBRXGLF-NEWSRXKRSA-N 2 0 347.503 1.823 20 0 EDADRP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000631576512 450663222 /nfs/dbraw/zinc/66/32/22/450663222.db2.gz BANBQEBJGLOUTL-QAPCUYQASA-N 2 0 331.460 1.860 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC3CC[NH+](C)CC3)ccc2[nH]c1=O ZINC000635131549 450676153 /nfs/dbraw/zinc/67/61/53/450676153.db2.gz ZKNPXSXZVKAGLK-UHFFFAOYSA-N 2 0 345.447 1.128 20 0 EDADRP Cc1cncc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000629553510 450732417 /nfs/dbraw/zinc/73/24/17/450732417.db2.gz WLCFUMVZIQVURK-QGZVFWFLSA-N 2 0 340.475 1.902 20 0 EDADRP O=C(c1ccccc1)N1CCC(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629564440 450738871 /nfs/dbraw/zinc/73/88/71/450738871.db2.gz KJMBEXSVMOJCHF-LJQANCHMSA-N 2 0 345.487 1.585 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000629653983 450772337 /nfs/dbraw/zinc/77/23/37/450772337.db2.gz KZFAQMJCHOZQSU-NXEZZACHSA-N 2 0 334.411 1.748 20 0 EDADRP O=C(Cc1ccccc1)N1CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629577365 450745136 /nfs/dbraw/zinc/74/51/36/450745136.db2.gz GNVGBQLJJJUJRY-RTBURBONSA-N 2 0 345.487 1.266 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000621508109 450749577 /nfs/dbraw/zinc/74/95/77/450749577.db2.gz CBCHVALVDKCGSX-RTBURBONSA-N 2 0 346.519 1.855 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000629650189 450770860 /nfs/dbraw/zinc/77/08/60/450770860.db2.gz QJQWQXPBWJDZAW-HNNXBMFYSA-N 2 0 349.450 1.866 20 0 EDADRP C[NH+](C)CC1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000635277684 450807080 /nfs/dbraw/zinc/80/70/80/450807080.db2.gz IRPGYFYKEUKZAZ-UHFFFAOYSA-N 2 0 325.522 1.806 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631933307 450891450 /nfs/dbraw/zinc/89/14/50/450891450.db2.gz CBWMWVRDARDGPZ-UHFFFAOYSA-N 2 0 339.505 1.653 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000626855842 450962743 /nfs/dbraw/zinc/96/27/43/450962743.db2.gz HAYIRKUNHQYTEC-HNNXBMFYSA-N 2 0 346.475 1.664 20 0 EDADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)n(C)n1 ZINC000635464114 450964217 /nfs/dbraw/zinc/96/42/17/450964217.db2.gz GBBRQZYPQSDIMG-MRXNPFEDSA-N 2 0 335.496 1.471 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012686 450967526 /nfs/dbraw/zinc/96/75/26/450967526.db2.gz WDKYYMWWAIHIBN-YJBOKZPZSA-N 2 0 345.491 1.534 20 0 EDADRP C[C@](O)(C[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000630043806 450976824 /nfs/dbraw/zinc/97/68/24/450976824.db2.gz YFLQDJMCNRDHCD-MJGOQNOKSA-N 2 0 340.508 1.475 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000626933348 451015773 /nfs/dbraw/zinc/01/57/73/451015773.db2.gz JXKDJRXEHUMQOR-MRXNPFEDSA-N 2 0 328.501 1.278 20 0 EDADRP CCN(CC[NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000626935483 451017526 /nfs/dbraw/zinc/01/75/26/451017526.db2.gz JJRQABJFGZRLJM-UHFFFAOYSA-N 2 0 347.507 1.185 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C[NH2+]1 ZINC000626939764 451021470 /nfs/dbraw/zinc/02/14/70/451021470.db2.gz NFZKFNXBQQJBNZ-HUUCEWRRSA-N 2 0 340.537 1.788 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+]2CCCC2)c1 ZINC000635528918 451024412 /nfs/dbraw/zinc/02/44/12/451024412.db2.gz XIWLVGKIZOPPKJ-BQFCYCMXSA-N 2 0 344.459 1.588 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCOCCC[NH3+])C1 ZINC000626947118 451025694 /nfs/dbraw/zinc/02/56/94/451025694.db2.gz LPFQWAWZKTUOOU-DOTOQJQBSA-N 2 0 334.464 1.487 20 0 EDADRP C[C@H]1C[C@H](NS(=O)(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000632095876 451032311 /nfs/dbraw/zinc/03/23/11/451032311.db2.gz LTMMUVKZTFSBDF-RDJZCZTQSA-N 2 0 339.505 1.521 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC1 ZINC000626964903 451038366 /nfs/dbraw/zinc/03/83/66/451038366.db2.gz LLAYAVIIDMLDFD-DGCLKSJQSA-N 2 0 336.402 1.639 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626966471 451038820 /nfs/dbraw/zinc/03/88/20/451038820.db2.gz VRAUJANPDQDGDJ-WBVHZDCISA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627002058 451067496 /nfs/dbraw/zinc/06/74/96/451067496.db2.gz QIICWPCOLSZIDQ-JJRVBVJISA-N 2 0 331.464 1.657 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000635572591 451072148 /nfs/dbraw/zinc/07/21/48/451072148.db2.gz MFBKAMYJQKYPBS-ULQDDVLXSA-N 2 0 325.497 1.581 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000627033389 451091894 /nfs/dbraw/zinc/09/18/94/451091894.db2.gz IILOZUMHJSVZJY-NVXWUHKLSA-N 2 0 336.480 1.603 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000627069407 451110325 /nfs/dbraw/zinc/11/03/25/451110325.db2.gz OFULIVSAHVWXRH-LOWDOPEQSA-N 2 0 336.402 1.543 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC1 ZINC000627073635 451112005 /nfs/dbraw/zinc/11/20/05/451112005.db2.gz OYDLWXIFXQHIPQ-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP C[NH2+]CCOCCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000627174116 451164295 /nfs/dbraw/zinc/16/42/95/451164295.db2.gz FEEAARQLBOYAIR-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212341 451189956 /nfs/dbraw/zinc/18/99/56/451189956.db2.gz MEWOVVPTBDJXLN-DLBZAZTESA-N 2 0 340.512 1.648 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000627243031 451205161 /nfs/dbraw/zinc/20/51/61/451205161.db2.gz ZRZFTJKIRQVVOD-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](CCCO)C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635741691 451212287 /nfs/dbraw/zinc/21/22/87/451212287.db2.gz YXQKKMFBLFUSMM-UHFFFAOYSA-N 2 0 347.503 1.466 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638083569 451247411 /nfs/dbraw/zinc/24/74/11/451247411.db2.gz AHUFEUVJYVXWHC-MSOLQXFVSA-N 2 0 331.460 1.795 20 0 EDADRP C[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086244 451251491 /nfs/dbraw/zinc/25/14/91/451251491.db2.gz QOKSMKKKFYFSDM-PKOBYXMFSA-N 2 0 346.519 1.682 20 0 EDADRP O=C(CN1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000638088607 451252965 /nfs/dbraw/zinc/25/29/65/451252965.db2.gz IVMJEXPGQFPMEJ-UHFFFAOYSA-N 2 0 344.503 1.584 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000638101098 451266755 /nfs/dbraw/zinc/26/67/55/451266755.db2.gz SVURORPHNVUOPA-MPGHIAIKSA-N 2 0 333.476 1.944 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000638111115 451277725 /nfs/dbraw/zinc/27/77/25/451277725.db2.gz BZTCDHGPOUWRAE-WMZOPIPTSA-N 2 0 335.448 1.723 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635830130 451279566 /nfs/dbraw/zinc/27/95/66/451279566.db2.gz YRGWSAULJPVPKY-ROUUACIJSA-N 2 0 330.476 1.846 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638116011 451284286 /nfs/dbraw/zinc/28/42/86/451284286.db2.gz BZUIZGHBKKMVTL-JENIJYKNSA-N 2 0 331.460 1.534 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000638121549 451290228 /nfs/dbraw/zinc/29/02/28/451290228.db2.gz GAZWJXJMYAFMRO-NZSAHSFTSA-N 2 0 346.519 1.777 20 0 EDADRP C[C@@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638130243 451300657 /nfs/dbraw/zinc/30/06/57/451300657.db2.gz IBDSHUQUAFXOHL-OAHLLOKOSA-N 2 0 339.443 1.672 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000638136127 451309122 /nfs/dbraw/zinc/30/91/22/451309122.db2.gz XGASSOMLWJJQLI-INIZCTEOSA-N 2 0 343.471 1.056 20 0 EDADRP O=C([C@H]1CCc2nc[nH]c2C1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000640442681 451319391 /nfs/dbraw/zinc/31/93/91/451319391.db2.gz GEPIKBAVAATBSH-AWEZNQCLSA-N 2 0 325.416 1.649 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000638151440 451324558 /nfs/dbraw/zinc/32/45/58/451324558.db2.gz JHLCGTINPMTDDO-QGZVFWFLSA-N 2 0 339.443 1.125 20 0 EDADRP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638154430 451326157 /nfs/dbraw/zinc/32/61/57/451326157.db2.gz OTZCARDJUFNIPA-RBUKOAKNSA-N 2 0 345.487 1.497 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638261859 451385536 /nfs/dbraw/zinc/38/55/36/451385536.db2.gz IDQBRHABFZXMQQ-FHWLQOOXSA-N 2 0 344.503 1.294 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000638288424 451404877 /nfs/dbraw/zinc/40/48/77/451404877.db2.gz PZQKKDQLSMKHQB-CTWPCTMYSA-N 2 0 344.503 1.579 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638375099 451471914 /nfs/dbraw/zinc/47/19/14/451471914.db2.gz DJEQLBFBUUKXQJ-FUHWJXTLSA-N 2 0 333.476 1.862 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000638400668 451489359 /nfs/dbraw/zinc/48/93/59/451489359.db2.gz KZRRVSFXLSUTBO-HKUYNNGSSA-N 2 0 345.487 1.803 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000638403605 451492960 /nfs/dbraw/zinc/49/29/60/451492960.db2.gz CSUFWBKRLTVDSK-QGZVFWFLSA-N 2 0 325.497 1.757 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)cc1F ZINC000638411578 451496996 /nfs/dbraw/zinc/49/69/96/451496996.db2.gz JPQWGJDZXXYAOA-KMFMINBZSA-N 2 0 349.450 1.738 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000638437781 451517112 /nfs/dbraw/zinc/51/71/12/451517112.db2.gz VAKKMKKTFJGPAV-CRAIPNDOSA-N 2 0 331.460 1.933 20 0 EDADRP c1ccc(C(C[NH+]2C[C@@H]3COC[C@@H]3C2)C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1 ZINC000634778918 451541635 /nfs/dbraw/zinc/54/16/35/451541635.db2.gz UHLZWUSNMQPFBH-FXELSEDVSA-N 2 0 342.483 1.927 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000638506703 451551696 /nfs/dbraw/zinc/55/16/96/451551696.db2.gz XWJYZELZPHSCGW-SFHVURJKSA-N 2 0 342.487 1.600 20 0 EDADRP C[C@H](C[NH2+]Cc1ccncc1Br)CN1CC[NH+](C)CC1 ZINC000631065473 451564739 /nfs/dbraw/zinc/56/47/39/451564739.db2.gz ZASYUBSADPHUFP-CYBMUJFWSA-N 2 0 341.297 1.817 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000638556509 451574859 /nfs/dbraw/zinc/57/48/59/451574859.db2.gz LNJPXZAFWJARNU-OSAQELSMSA-N 2 0 329.366 1.846 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638601665 451599804 /nfs/dbraw/zinc/59/98/04/451599804.db2.gz PEROCHYXMOYHRR-MRXNPFEDSA-N 2 0 339.528 1.314 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000638644822 451629320 /nfs/dbraw/zinc/62/93/20/451629320.db2.gz SKGCULPZKXIKLK-CRAIPNDOSA-N 2 0 330.476 1.304 20 0 EDADRP O=C1CC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1 ZINC000634975194 451633449 /nfs/dbraw/zinc/63/34/49/451633449.db2.gz SXEQPYOZAWOFQE-SFHVURJKSA-N 2 0 345.487 1.962 20 0 EDADRP Cn1c2cc(C[N@H+](C)CCCN3CC[NH+](C)CC3)ccc2oc1=O ZINC000634987263 451638055 /nfs/dbraw/zinc/63/80/55/451638055.db2.gz QDIVHKSHWCWCCD-UHFFFAOYSA-N 2 0 332.448 1.201 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000632907149 451643095 /nfs/dbraw/zinc/64/30/95/451643095.db2.gz BCFDSAUGYVXMPR-LSDHHAIUSA-N 2 0 331.464 1.700 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638778824 451687764 /nfs/dbraw/zinc/68/77/64/451687764.db2.gz GVNPLBIFIHXUPK-QZTJIDSGSA-N 2 0 331.460 1.346 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000638881515 451718092 /nfs/dbraw/zinc/71/80/92/451718092.db2.gz WAYKHMDXMFEHKP-KRWDZBQOSA-N 2 0 329.448 1.135 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850064 451710062 /nfs/dbraw/zinc/71/00/62/451710062.db2.gz BOGGVOMMHWJBPF-QZTJIDSGSA-N 2 0 333.476 1.911 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC(CC[NH3+])CC3)cn2)CC1 ZINC000632960075 451669256 /nfs/dbraw/zinc/66/92/56/451669256.db2.gz BKAADXOYWCQQQB-UHFFFAOYSA-N 2 0 334.468 1.743 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000638925640 451737867 /nfs/dbraw/zinc/73/78/67/451737867.db2.gz QNRLSNQVKQYFEG-HDICACEKSA-N 2 0 328.460 1.010 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc(C[NH2+]C3CCCC3)nn2)CC1 ZINC000641046784 451741299 /nfs/dbraw/zinc/74/12/99/451741299.db2.gz FKZXUYOFIKBWGH-UHFFFAOYSA-N 2 0 348.495 1.299 20 0 EDADRP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000641092592 451747880 /nfs/dbraw/zinc/74/78/80/451747880.db2.gz YRBJVHWMYFTUKI-MJGOQNOKSA-N 2 0 346.475 1.065 20 0 EDADRP Cc1noc(C)c1CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987293 451747931 /nfs/dbraw/zinc/74/79/31/451747931.db2.gz OUXANCOGOWFNKV-UHFFFAOYSA-N 2 0 329.404 1.667 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000639018801 451752853 /nfs/dbraw/zinc/75/28/53/451752853.db2.gz WHTUWYNNBGLOEA-ZWKOTPCHSA-N 2 0 332.492 1.244 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc([C@@H]([NH3+])C(C)(C)C)nn1 ZINC000641215184 451784386 /nfs/dbraw/zinc/78/43/86/451784386.db2.gz OSUOFQIMRZQFDW-DOTOQJQBSA-N 2 0 331.464 1.817 20 0 EDADRP O[C@@]1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230791 451791885 /nfs/dbraw/zinc/79/18/85/451791885.db2.gz UITJSOMPKWTZHB-MJGOQNOKSA-N 2 0 341.459 1.067 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(N3CCOCC3)c2)CC1 ZINC000639206816 451792082 /nfs/dbraw/zinc/79/20/82/451792082.db2.gz KXDLLNFEHWFOLY-UHFFFAOYSA-N 2 0 347.503 1.848 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000641255304 451795285 /nfs/dbraw/zinc/79/52/85/451795285.db2.gz BLVMDJLOZXKQLO-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP Cc1ccc(CC[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000639260861 451800253 /nfs/dbraw/zinc/80/02/53/451800253.db2.gz IAZCHSAXJKYADX-UHFFFAOYSA-N 2 0 331.504 1.924 20 0 EDADRP COCCN1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637370508 451802572 /nfs/dbraw/zinc/80/25/72/451802572.db2.gz QJHWXIASSLZHDQ-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@]2(CO)CCc3ccccc32)CC1 ZINC000639291209 451811506 /nfs/dbraw/zinc/81/15/06/451811506.db2.gz WWHBSSAUBDFTIT-FQEVSTJZSA-N 2 0 332.488 1.688 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)C[C@H](C)O1 ZINC000644522037 451838094 /nfs/dbraw/zinc/83/80/94/451838094.db2.gz VUVMKRXMMVQESR-INDMIFKZSA-N 2 0 341.540 1.701 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637418446 451846780 /nfs/dbraw/zinc/84/67/80/451846780.db2.gz YTWQEWQENXCGAN-QGZVFWFLSA-N 2 0 339.528 1.184 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@H]2COCCN2C)CC1 ZINC000637446338 451861425 /nfs/dbraw/zinc/86/14/25/451861425.db2.gz QGDKRQPBMZEZAL-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000644562406 451863683 /nfs/dbraw/zinc/86/36/83/451863683.db2.gz OZRVUFYPAVZZPF-KRWDZBQOSA-N 2 0 335.492 1.350 20 0 EDADRP OCCO[C@H]1CCC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639491196 451898552 /nfs/dbraw/zinc/89/85/52/451898552.db2.gz ZSYGOJOUQMWADZ-RBUKOAKNSA-N 2 0 334.460 1.097 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000644583991 451877813 /nfs/dbraw/zinc/87/78/13/451877813.db2.gz INFHLCAFLCMFSC-RRFJBIMHSA-N 2 0 337.430 1.553 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000646847550 451885720 /nfs/dbraw/zinc/88/57/20/451885720.db2.gz ABCGEVMALPJZEC-YJBOKZPZSA-N 2 0 331.460 1.473 20 0 EDADRP Cc1cc(C)c(C[NH+]2CCC(N(C)S(C)(=O)=O)CC2)c(C)n1 ZINC000639538482 451930933 /nfs/dbraw/zinc/93/09/33/451930933.db2.gz PKVQKXFCZWPXFU-UHFFFAOYSA-N 2 0 325.478 1.863 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000649281579 451954245 /nfs/dbraw/zinc/95/42/45/451954245.db2.gz UKEBNSRESMOIIR-LJQANCHMSA-N 2 0 330.476 1.322 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000644734456 451960737 /nfs/dbraw/zinc/96/07/37/451960737.db2.gz PYVYYJIFONXPAH-BZSNNMDCSA-N 2 0 330.476 1.041 20 0 EDADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000649286004 451961255 /nfs/dbraw/zinc/96/12/55/451961255.db2.gz IVJOLGXXAPSKSI-HNNXBMFYSA-N 2 0 329.435 1.956 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649279018 451951149 /nfs/dbraw/zinc/95/11/49/451951149.db2.gz QONITYGCRDPLPT-RHSMWYFYSA-N 2 0 337.489 1.770 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000649289933 451965919 /nfs/dbraw/zinc/96/59/19/451965919.db2.gz GBGWHXXETIJFGQ-MRXNPFEDSA-N 2 0 346.475 1.695 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH2+]CCC1(F)F ZINC000649293984 451969092 /nfs/dbraw/zinc/96/90/92/451969092.db2.gz VUQCSNDINGHPBT-MRXNPFEDSA-N 2 0 337.414 1.796 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@]2([NH3+])CCN(C(C)=O)C2)c1 ZINC000649295393 451971899 /nfs/dbraw/zinc/97/18/99/451971899.db2.gz GXASJYFNTSUESL-SFHVURJKSA-N 2 0 332.448 1.417 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649299262 451976401 /nfs/dbraw/zinc/97/64/01/451976401.db2.gz CPRUYFGWJBKKFI-LBPRGKRZSA-N 2 0 327.375 1.940 20 0 EDADRP COc1cc(CNC(=O)C[C@@H]([NH3+])C(C)C)ccc1OCC[NH+](C)C ZINC000649302054 451978533 /nfs/dbraw/zinc/97/85/33/451978533.db2.gz PPFZGZLLKAIPGF-OAHLLOKOSA-N 2 0 337.464 1.625 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307425 451985096 /nfs/dbraw/zinc/98/50/96/451985096.db2.gz OKWWMARVAQJFRV-WDYCEAGBSA-N 2 0 331.460 1.707 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(N)CC[N@@H+](C)C1 ZINC000649312944 451991585 /nfs/dbraw/zinc/99/15/85/451991585.db2.gz NJPYCLGQKZZISC-SFHVURJKSA-N 2 0 348.516 1.515 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)C2)C1 ZINC000637662579 452004685 /nfs/dbraw/zinc/00/46/85/452004685.db2.gz HBSKLCOSNZVBOM-GOSISDBHSA-N 2 0 346.479 1.709 20 0 EDADRP Cc1ncc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000637666262 452007488 /nfs/dbraw/zinc/00/74/88/452007488.db2.gz QFQSELXHFFAJGE-LBPRGKRZSA-N 2 0 327.498 1.647 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000649332272 452013339 /nfs/dbraw/zinc/01/33/39/452013339.db2.gz LQNMJXCXJHYKGI-QGZVFWFLSA-N 2 0 346.475 1.824 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)[C@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000649334474 452014999 /nfs/dbraw/zinc/01/49/99/452014999.db2.gz KJTJEIIPPOJNLM-YMAMQOFZSA-N 2 0 329.435 1.954 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000649341009 452020738 /nfs/dbraw/zinc/02/07/38/452020738.db2.gz HHGAMUDHJREITQ-JLJPHGGASA-N 2 0 336.505 1.280 20 0 EDADRP COc1ccccc1C(=O)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000643056801 452027894 /nfs/dbraw/zinc/02/78/94/452027894.db2.gz MDXVZNHFXRVTJT-MRXNPFEDSA-N 2 0 331.460 1.843 20 0 EDADRP [NH3+]C1CCC(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000649351085 452035529 /nfs/dbraw/zinc/03/55/29/452035529.db2.gz LMLJDOQOSPOBQT-UHFFFAOYSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649351062 452035803 /nfs/dbraw/zinc/03/58/03/452035803.db2.gz HZNPGDXRDDNFAR-QUCCMNQESA-N 2 0 342.487 1.063 20 0 EDADRP Cn1nccc1CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090553 452054333 /nfs/dbraw/zinc/05/43/33/452054333.db2.gz TUJXRLAIHMFQES-UHFFFAOYSA-N 2 0 341.459 1.072 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094188 452056180 /nfs/dbraw/zinc/05/61/80/452056180.db2.gz XQMLHRSDVGEELG-KRWDZBQOSA-N 2 0 345.491 1.581 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCC[NH3+] ZINC000649410213 452074246 /nfs/dbraw/zinc/07/42/46/452074246.db2.gz ZWAQLUBNGTWLTP-INIZCTEOSA-N 2 0 332.492 1.436 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC[NH2+]1 ZINC000637840851 452111534 /nfs/dbraw/zinc/11/15/34/452111534.db2.gz LETKCEZXOWWBAS-POAQFYNOSA-N 2 0 343.471 1.345 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCN3Cc3ccccn3)C2)C1 ZINC000647252289 452144682 /nfs/dbraw/zinc/14/46/82/452144682.db2.gz BAEXWAFVJBESEO-QUCCMNQESA-N 2 0 342.487 1.990 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1[NH2+]CC1(C)C)[NH+]1CCCC1 ZINC000645180856 452197773 /nfs/dbraw/zinc/19/77/73/452197773.db2.gz SRPRVWGMMXNOIV-DOTOQJQBSA-N 2 0 331.460 1.946 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000654013270 452203226 /nfs/dbraw/zinc/20/32/26/452203226.db2.gz YRHBLBFENLCOHE-JKSUJKDBSA-N 2 0 334.468 1.583 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000645204466 452208595 /nfs/dbraw/zinc/20/85/95/452208595.db2.gz CZZVKSWEJKJXKF-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000639876337 452213883 /nfs/dbraw/zinc/21/38/83/452213883.db2.gz DIWWAXAXYDHJFQ-IRXDYDNUSA-N 2 0 325.497 1.017 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(OCC(F)(F)F)cc1 ZINC000647493014 452236394 /nfs/dbraw/zinc/23/63/94/452236394.db2.gz OVKMXLFRKRPQNG-UHFFFAOYSA-N 2 0 331.382 1.965 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000641790013 452269393 /nfs/dbraw/zinc/26/93/93/452269393.db2.gz GZYBQUUCFLRNFX-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000663560244 452273887 /nfs/dbraw/zinc/27/38/87/452273887.db2.gz JZRIJFAAGIXYLY-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP CCN(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663579230 452302962 /nfs/dbraw/zinc/30/29/62/452302962.db2.gz BNTVEZDALDCXEB-SFHVURJKSA-N 2 0 345.491 1.782 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000663580279 452305911 /nfs/dbraw/zinc/30/59/11/452305911.db2.gz OIIAGXJUKHBKCV-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000661505672 452307859 /nfs/dbraw/zinc/30/78/59/452307859.db2.gz CBPDOFBLGZOHFT-JKSUJKDBSA-N 2 0 340.512 1.515 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659457528 452310452 /nfs/dbraw/zinc/31/04/52/452310452.db2.gz GQBVJAPVOVTUHT-IRXDYDNUSA-N 2 0 338.496 1.128 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000665745618 452315489 /nfs/dbraw/zinc/31/54/89/452315489.db2.gz KCNHRIIOWACNFX-ZJIFWQFVSA-N 2 0 340.512 1.068 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[NH+]1CCCC1 ZINC000638050251 452319316 /nfs/dbraw/zinc/31/93/16/452319316.db2.gz MSMZIZMFXFCATH-LPHOPBHVSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659471883 452329707 /nfs/dbraw/zinc/32/97/07/452329707.db2.gz IRHIMMVZPMMRSJ-AWEZNQCLSA-N 2 0 333.480 1.986 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC/C=C\C[NH3+] ZINC000641865083 452331129 /nfs/dbraw/zinc/33/11/29/452331129.db2.gz OYEZRTQZKOSOAE-CWIOURORSA-N 2 0 331.464 1.592 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659484189 452344477 /nfs/dbraw/zinc/34/44/77/452344477.db2.gz PJJHBFXAWSNTLS-IPCDKGFNSA-N 2 0 342.487 1.948 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000638059409 452349010 /nfs/dbraw/zinc/34/90/10/452349010.db2.gz GAQYOMROWTWXNA-ZQIUZPCESA-N 2 0 335.448 1.311 20 0 EDADRP COC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCOCC1 ZINC000657594879 452363406 /nfs/dbraw/zinc/36/34/06/452363406.db2.gz FBHHWLQGXDKTOZ-SFHVURJKSA-N 2 0 334.460 1.538 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1 ZINC000638064693 452364140 /nfs/dbraw/zinc/36/41/40/452364140.db2.gz VSQXFHLXANZSOF-FHLIZLRMSA-N 2 0 331.460 1.793 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000652170947 452365899 /nfs/dbraw/zinc/36/58/99/452365899.db2.gz XHJRJIORSQDMNG-SJORKVTESA-N 2 0 338.496 1.053 20 0 EDADRP COC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCCC[NH2+]1 ZINC000638068139 452369658 /nfs/dbraw/zinc/36/96/58/452369658.db2.gz VKCLNEYEZLXTTH-WMZOPIPTSA-N 2 0 325.497 1.916 20 0 EDADRP CC[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000638067131 452370619 /nfs/dbraw/zinc/37/06/19/452370619.db2.gz AQBYFESFIDCCHD-HKUYNNGSSA-N 2 0 331.460 1.318 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659508247 452374356 /nfs/dbraw/zinc/37/43/56/452374356.db2.gz SNFFIBMONBTXBG-IRXDYDNUSA-N 2 0 334.439 1.570 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652185910 452384356 /nfs/dbraw/zinc/38/43/56/452384356.db2.gz XXGRQHCAKXDIIT-QGZVFWFLSA-N 2 0 330.476 1.937 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638076250 452389972 /nfs/dbraw/zinc/38/99/72/452389972.db2.gz XGVCJMHXEWFIOL-XOYOTBSWSA-N 2 0 331.460 1.662 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659533919 452394757 /nfs/dbraw/zinc/39/47/57/452394757.db2.gz YBEUEEQXISPIMD-SFHVURJKSA-N 2 0 344.459 1.342 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659536264 452396609 /nfs/dbraw/zinc/39/66/09/452396609.db2.gz HDZVNLWAWOFUMA-WBQNTZJQSA-N 2 0 334.439 1.568 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659540366 452399652 /nfs/dbraw/zinc/39/96/52/452399652.db2.gz RRXIKUCGYZATIL-ZTFGCOKTSA-N 2 0 346.475 1.050 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)c(F)c1 ZINC000652216492 452410300 /nfs/dbraw/zinc/41/03/00/452410300.db2.gz XCUGZURNFVLIDC-UHFFFAOYSA-N 2 0 328.391 1.887 20 0 EDADRP CC[N@H+](CCCNC(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652227232 452419265 /nfs/dbraw/zinc/41/92/65/452419265.db2.gz BVSRFKCUCPPUSZ-QGZVFWFLSA-N 2 0 340.512 1.790 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)NC[C@@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000657650470 452420729 /nfs/dbraw/zinc/42/07/29/452420729.db2.gz CJHBNPOHYJVUFU-ZDUSSCGKSA-N 2 0 329.404 1.039 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654374354 452425331 /nfs/dbraw/zinc/42/53/31/452425331.db2.gz HZFQUBMMVIYQNU-TWMKSMIVSA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2[NH2+]CC2(C)C)CC1 ZINC000645484615 452456268 /nfs/dbraw/zinc/45/62/68/452456268.db2.gz KGDAKYVECTVQMX-GOSISDBHSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cnc(N2C[C@@H](C)[NH+](C)C[C@@H]2C)cn1 ZINC000663763028 452491574 /nfs/dbraw/zinc/49/15/74/452491574.db2.gz FUJFUWJJIISLQW-SYMSYNOKSA-N 2 0 332.496 1.534 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)COc1ccc(F)c(F)c1 ZINC000647786413 452520924 /nfs/dbraw/zinc/52/09/24/452520924.db2.gz OJRLROZQFZNHPP-XJFOESAGSA-N 2 0 326.387 1.682 20 0 EDADRP c1ccc(-c2ccc(NCC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)nn2)cc1 ZINC000647788062 452521994 /nfs/dbraw/zinc/52/19/94/452521994.db2.gz BUHFOXIGSWGBPB-FGTMMUONSA-N 2 0 337.471 2.533 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCn2nccc21)c1ccccc1 ZINC000640220693 452526569 /nfs/dbraw/zinc/52/65/69/452526569.db2.gz NLTHHPCDTSCHDB-SJLPKXTDSA-N 2 0 341.459 1.727 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647796638 452528576 /nfs/dbraw/zinc/52/85/76/452528576.db2.gz HEKDNFYELMUYFP-TVFCKZIOSA-N 2 0 343.471 1.644 20 0 EDADRP C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1CC[NH3+] ZINC000652356061 452533717 /nfs/dbraw/zinc/53/37/17/452533717.db2.gz RDZWEKHHPUHFGL-BHIYHBOVSA-N 2 0 346.519 1.855 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H](C)[NH3+])C(=O)NCc1cccs1 ZINC000647802900 452534777 /nfs/dbraw/zinc/53/47/77/452534777.db2.gz XXZYXJXXGBZBBT-REBRKWNGSA-N 2 0 325.478 1.485 20 0 EDADRP COc1ccc(C[C@@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000652358416 452539903 /nfs/dbraw/zinc/53/99/03/452539903.db2.gz BHYPOLZDZBMAPR-SFHVURJKSA-N 2 0 345.487 1.914 20 0 EDADRP Cc1ccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360384 452542188 /nfs/dbraw/zinc/54/21/88/452542188.db2.gz GJKAMBVHYNZDIK-IPMKNSEASA-N 2 0 345.487 1.972 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659688022 452565048 /nfs/dbraw/zinc/56/50/48/452565048.db2.gz SUEUIIMBNRTABL-UHFFFAOYSA-N 2 0 340.512 1.056 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645597142 452578329 /nfs/dbraw/zinc/57/83/29/452578329.db2.gz FPWHNMNFMGLVNF-GOSISDBHSA-N 2 0 344.503 1.703 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000659699355 452584323 /nfs/dbraw/zinc/58/43/23/452584323.db2.gz RNZWUNHHBQGUSR-HZPDHXFCSA-N 2 0 340.512 1.104 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCn3nccc32)CC1 ZINC000657901953 452599538 /nfs/dbraw/zinc/59/95/38/452599538.db2.gz UNFJUJBZJYXRIW-MRXNPFEDSA-N 2 0 347.507 1.934 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1C[C@@H](O)C12CCC2)c1ccccc1 ZINC000661831784 452615344 /nfs/dbraw/zinc/61/53/44/452615344.db2.gz REUFYHOSBIQTBW-IXDOHACOSA-N 2 0 331.460 1.299 20 0 EDADRP Cc1nccn1CCNC(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000663890848 452615416 /nfs/dbraw/zinc/61/54/16/452615416.db2.gz JXJYPRKSTRARON-HZPDHXFCSA-N 2 0 347.463 1.134 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C1=O ZINC000666123826 452621800 /nfs/dbraw/zinc/62/18/00/452621800.db2.gz OACUKYDAOLVELC-NTODXPRQSA-N 2 0 333.476 1.434 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000657969233 452648350 /nfs/dbraw/zinc/64/83/50/452648350.db2.gz KPFMCOCFLHVJDN-QAPCUYQASA-N 2 0 329.448 1.413 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000647908977 452649396 /nfs/dbraw/zinc/64/93/96/452649396.db2.gz COJJJWVKGYEPQB-CYBMUJFWSA-N 2 0 337.430 1.696 20 0 EDADRP O=C(N1CCC(n2ncc3c2C[NH2+]C3)CC1)C12CCC[NH+]1CCC2 ZINC000643843895 452735077 /nfs/dbraw/zinc/73/50/77/452735077.db2.gz BEBHVYKCQILZDN-UHFFFAOYSA-N 2 0 329.448 1.278 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC000659860827 452741368 /nfs/dbraw/zinc/74/13/68/452741368.db2.gz GHXFUEJISGVPLC-HDICACEKSA-N 2 0 339.524 1.530 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)CC1 ZINC000662014253 452766587 /nfs/dbraw/zinc/76/65/87/452766587.db2.gz YEVZEYQKMPCPDA-QGZVFWFLSA-N 2 0 339.528 1.090 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648112107 452829818 /nfs/dbraw/zinc/82/98/18/452829818.db2.gz VEXMTGFXRQYQBV-MVCQKVDPSA-N 2 0 342.487 1.940 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000648127091 452841980 /nfs/dbraw/zinc/84/19/80/452841980.db2.gz FYHMQMXIFVVSOD-PKOBYXMFSA-N 2 0 327.428 1.724 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OC(C)(C)C2 ZINC000654732913 452853317 /nfs/dbraw/zinc/85/33/17/452853317.db2.gz JRPAVSUCYTXXMC-UHFFFAOYSA-N 2 0 333.476 1.966 20 0 EDADRP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000648143275 452854956 /nfs/dbraw/zinc/85/49/56/452854956.db2.gz MQFFGVRSHWWPQO-SJORKVTESA-N 2 0 345.491 1.200 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000650607372 452878473 /nfs/dbraw/zinc/87/84/73/452878473.db2.gz NKXGNWZIWLNQAG-IAGOWNOFSA-N 2 0 342.528 1.763 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCc2nnn(C(C)(C)C)n2)C1 ZINC000659978959 452886535 /nfs/dbraw/zinc/88/65/35/452886535.db2.gz IOIWBRSAQMYYLT-OAHLLOKOSA-N 2 0 338.500 1.403 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654758958 452890122 /nfs/dbraw/zinc/89/01/22/452890122.db2.gz XTTZNXXVDLYBRV-ZWKOTPCHSA-N 2 0 331.460 1.345 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000648177956 452890386 /nfs/dbraw/zinc/89/03/86/452890386.db2.gz FDTRFTLMJOKNOY-MELADBBJSA-N 2 0 327.350 1.324 20 0 EDADRP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000645959222 452939826 /nfs/dbraw/zinc/93/98/26/452939826.db2.gz STBVAHRGGZUNJR-KBAYOESNSA-N 2 0 333.476 1.532 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc21 ZINC000650705959 452943045 /nfs/dbraw/zinc/94/30/45/452943045.db2.gz BBWZSMYEOKURLQ-RLFYNMQTSA-N 2 0 329.448 1.687 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812403 452969051 /nfs/dbraw/zinc/96/90/51/452969051.db2.gz IQXBBDDWWZIMDC-GBESFXJTSA-N 2 0 343.471 1.440 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084508 453000084 /nfs/dbraw/zinc/00/00/84/453000084.db2.gz ZTYFDWDHTQKOJP-WMLDXEAASA-N 2 0 339.505 1.757 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000662282374 453006478 /nfs/dbraw/zinc/00/64/78/453006478.db2.gz UGQHDFZEQFMHCB-GDBMZVCRSA-N 2 0 336.484 1.189 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662292189 453013809 /nfs/dbraw/zinc/01/38/09/453013809.db2.gz CATDCFGSTQFHNF-QGZVFWFLSA-N 3 0 336.524 1.299 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291089 453015059 /nfs/dbraw/zinc/01/50/59/453015059.db2.gz OSCZRPFMQCHIMK-WBVHZDCISA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H](c1nc(N)nc(N(C)C)n1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293058 453017254 /nfs/dbraw/zinc/01/72/54/453017254.db2.gz JJQMJHBXFHDKLG-GXTWGEPZSA-N 2 0 333.484 1.292 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000662293351 453017282 /nfs/dbraw/zinc/01/72/82/453017282.db2.gz QVGVQWVAVWWZPW-KRWDZBQOSA-N 3 0 348.535 1.441 20 0 EDADRP [NH3+]CCOCC[NH+]1CCN(c2ccc(Br)cc2)CC1 ZINC000662306935 453027276 /nfs/dbraw/zinc/02/72/76/453027276.db2.gz SNHRFALSFZRGDF-UHFFFAOYSA-N 2 0 328.254 1.546 20 0 EDADRP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328093 453045251 /nfs/dbraw/zinc/04/52/51/453045251.db2.gz OHPLYJJQBQALQE-ZDUSSCGKSA-N 2 0 345.491 1.723 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000660119793 453045742 /nfs/dbraw/zinc/04/57/42/453045742.db2.gz XITMOKGITJABPV-UHFFFAOYSA-N 2 0 333.480 1.614 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662338749 453056812 /nfs/dbraw/zinc/05/68/12/453056812.db2.gz VJQBUVQYFIOYAE-KRWDZBQOSA-N 3 0 346.523 1.388 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338259 453057432 /nfs/dbraw/zinc/05/74/32/453057432.db2.gz PLTYTXFJSIUOKZ-HZPDHXFCSA-N 2 0 333.480 1.568 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664395702 453060292 /nfs/dbraw/zinc/06/02/92/453060292.db2.gz IYNZHNSMLCQVLO-GVDBMIGSSA-N 2 0 340.512 1.373 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000644149665 453081372 /nfs/dbraw/zinc/08/13/72/453081372.db2.gz COIVXRIFKHYLJL-HNNXBMFYSA-N 2 0 338.402 1.659 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662386372 453094808 /nfs/dbraw/zinc/09/48/08/453094808.db2.gz FTSHNZVSDTUAAW-BZUAXINKSA-N 2 0 347.507 1.975 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662399317 453108998 /nfs/dbraw/zinc/10/89/98/453108998.db2.gz LWPURGINODHPEB-OAHLLOKOSA-N 2 0 328.420 1.564 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000666754276 453117551 /nfs/dbraw/zinc/11/75/51/453117551.db2.gz JTGGILYWRKNNNC-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@H]1[C@@H]2c3ccccc3C[C@H]12 ZINC000664472869 453124690 /nfs/dbraw/zinc/12/46/90/453124690.db2.gz RYNWPDWLENFVPF-GUDVDZBRSA-N 2 0 344.503 1.755 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662439683 453146322 /nfs/dbraw/zinc/14/63/22/453146322.db2.gz QSMCCCFSBVPEMD-UHFFFAOYSA-N 2 0 337.489 1.625 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[C@H]1CCOC1 ZINC000660275662 453167338 /nfs/dbraw/zinc/16/73/38/453167338.db2.gz DIAXLTLUEWMHGV-ROUUACIJSA-N 2 0 339.524 1.387 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662482249 453197147 /nfs/dbraw/zinc/19/71/47/453197147.db2.gz VPQYHPMMHUGIER-AWEZNQCLSA-N 2 0 334.464 1.946 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC[N@@H+]1C ZINC000648733396 453220808 /nfs/dbraw/zinc/22/08/08/453220808.db2.gz RILVYQRDHZUIQZ-CRAIPNDOSA-N 2 0 330.476 1.713 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000662517678 453237411 /nfs/dbraw/zinc/23/74/11/453237411.db2.gz NYDAOBBFOPUNTQ-OAHLLOKOSA-N 2 0 332.448 1.603 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000660354022 453241423 /nfs/dbraw/zinc/24/14/23/453241423.db2.gz ROUWVRTZOKZADS-UHFFFAOYSA-N 2 0 331.464 1.249 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000666925351 453251261 /nfs/dbraw/zinc/25/12/61/453251261.db2.gz WUJARBACPFNQNO-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660395119 453269929 /nfs/dbraw/zinc/26/99/29/453269929.db2.gz AACBAZCBGYFEHV-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666978409 453299627 /nfs/dbraw/zinc/29/96/27/453299627.db2.gz ZFIFHZOUZDPJNI-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000653113216 453299829 /nfs/dbraw/zinc/29/98/29/453299829.db2.gz WREDRICRFVVABC-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653116725 453305921 /nfs/dbraw/zinc/30/59/21/453305921.db2.gz QDEGVEFLRAQJGS-RBUKOAKNSA-N 2 0 345.487 1.816 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653124995 453319691 /nfs/dbraw/zinc/31/96/91/453319691.db2.gz PEQJHKNGKIPOQK-QGZVFWFLSA-N 2 0 330.476 1.762 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646338150 453329740 /nfs/dbraw/zinc/32/97/40/453329740.db2.gz CBVDVGARPNIOPD-KZNAEPCWSA-N 2 0 328.460 1.504 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1)Nc1cccnc1 ZINC000660480222 453337126 /nfs/dbraw/zinc/33/71/26/453337126.db2.gz SVEOJDFCUDVDNV-KRWDZBQOSA-N 2 0 332.448 1.597 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCC[NH2+]CC1 ZINC000653156271 453347617 /nfs/dbraw/zinc/34/76/17/453347617.db2.gz WSBRCTWNWZIBNP-MOPGFXCFSA-N 2 0 345.487 1.783 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC1([NH3+])CCCC1 ZINC000662649495 453364783 /nfs/dbraw/zinc/36/47/83/453364783.db2.gz QMIPKGGMUCVBKN-KRWDZBQOSA-N 2 0 341.459 1.189 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653184196 453375261 /nfs/dbraw/zinc/37/52/61/453375261.db2.gz NPYPBQIDZDAKFP-PCODUJHASA-N 2 0 331.460 1.605 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000653185095 453375273 /nfs/dbraw/zinc/37/52/73/453375273.db2.gz WKKWLHOSUOOKJH-FJIDUMEYSA-N 2 0 331.460 1.740 20 0 EDADRP CC(C)([NH3+])CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000646428548 453384614 /nfs/dbraw/zinc/38/46/14/453384614.db2.gz UHUWXWLVYGHAAR-UHFFFAOYSA-N 2 0 346.475 1.492 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662676385 453394241 /nfs/dbraw/zinc/39/42/41/453394241.db2.gz CJQVRGJFLLTTPF-MSOLQXFVSA-N 2 0 349.475 1.387 20 0 EDADRP [NH3+][C@H](CCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000662708597 453431610 /nfs/dbraw/zinc/43/16/10/453431610.db2.gz NIPNNNVNLCICOL-QZTJIDSGSA-N 2 0 331.460 1.836 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)n1 ZINC000667138261 453432210 /nfs/dbraw/zinc/43/22/10/453432210.db2.gz ZTHXCCNBJDDIHL-HOTGVXAUSA-N 2 0 348.495 1.831 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000653261234 453443214 /nfs/dbraw/zinc/44/32/14/453443214.db2.gz PGNPJWOYNOHFQD-KLHDSHLOSA-N 2 0 325.497 1.898 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc21 ZINC000662739198 453465069 /nfs/dbraw/zinc/46/50/69/453465069.db2.gz DEUYJQBSAMKJNT-DOTOQJQBSA-N 2 0 330.432 1.505 20 0 EDADRP COCC1([NH2+]C/C=C\C[NH2+]C2(COC)CCOCC2)CCOCC1 ZINC000660634249 453476330 /nfs/dbraw/zinc/47/63/30/453476330.db2.gz KBHLBDWOXRZHAT-ARJAWSKDSA-N 2 0 342.480 1.113 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cc2)CC1 ZINC000662758917 453496148 /nfs/dbraw/zinc/49/61/48/453496148.db2.gz VHQLXOBDJJPCSS-GOSISDBHSA-N 2 0 344.503 1.438 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000662758260 453497144 /nfs/dbraw/zinc/49/71/44/453497144.db2.gz PPODITHPVPPKKH-IYARVYRRSA-N 2 0 344.503 1.751 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cnnn1C1CC[NH2+]CC1 ZINC000662777063 453512726 /nfs/dbraw/zinc/51/27/26/453512726.db2.gz RRQTZIAXCWFUDW-UHFFFAOYSA-N 2 0 344.394 1.240 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660699353 453522111 /nfs/dbraw/zinc/52/21/11/453522111.db2.gz DODCUJXUDOXFGR-INIZCTEOSA-N 2 0 340.512 1.659 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655443493 453530379 /nfs/dbraw/zinc/53/03/79/453530379.db2.gz WGQDHDAPJDBJPT-CRAIPNDOSA-N 2 0 331.464 1.868 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444918 453532461 /nfs/dbraw/zinc/53/24/61/453532461.db2.gz XMMIEADSJXQPSQ-AZUAARDMSA-N 2 0 327.472 1.941 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1([NH+]2CCOCC2)CCCC1 ZINC000655449443 453536980 /nfs/dbraw/zinc/53/69/80/453536980.db2.gz XJTYRFBYGBJTCO-BQFCYCMXSA-N 2 0 335.492 1.526 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662814062 453546545 /nfs/dbraw/zinc/54/65/45/453546545.db2.gz NUCNTFBZYNLDNR-OALUTQOASA-N 2 0 343.471 1.691 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662814238 453546589 /nfs/dbraw/zinc/54/65/89/453546589.db2.gz BETNZYFQVGOLHH-IPYPFGDCSA-N 2 0 349.397 1.273 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662835841 453562672 /nfs/dbraw/zinc/56/26/72/453562672.db2.gz SCAYKHACRJWIAT-BRWVUGGUSA-N 2 0 331.464 1.554 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000662868396 453580104 /nfs/dbraw/zinc/58/01/04/453580104.db2.gz GOPWLTXFZUXYAX-ROUUACIJSA-N 2 0 333.476 1.987 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662878030 453584460 /nfs/dbraw/zinc/58/44/60/453584460.db2.gz KPNJGVLBESQAQI-HIFRSBDPSA-N 2 0 343.349 1.828 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659041875 453595554 /nfs/dbraw/zinc/59/55/54/453595554.db2.gz JVFBCRXZMMUYPE-HKUYNNGSSA-N 2 0 344.459 1.907 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000662929790 453610109 /nfs/dbraw/zinc/61/01/09/453610109.db2.gz GYBWSCKXPJVGGW-UHFFFAOYSA-N 2 0 348.491 1.081 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)C1 ZINC000665240904 453620882 /nfs/dbraw/zinc/62/08/82/453620882.db2.gz VSNXRZILVRCLFZ-MTQWCTHYSA-N 3 0 329.488 1.731 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000660871083 453625526 /nfs/dbraw/zinc/62/55/26/453625526.db2.gz XGQRSRTXLQISRR-UKPHBRMFSA-N 2 0 336.480 1.164 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](CCC[NH3+])COC)cc1 ZINC000665255477 453627351 /nfs/dbraw/zinc/62/73/51/453627351.db2.gz UFLDZDZDVDVDGT-WDSOQIARSA-N 2 0 335.492 1.874 20 0 EDADRP COC[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259466 453628649 /nfs/dbraw/zinc/62/86/49/453628649.db2.gz GWLHQUPBSYPIJX-ZMSDIMECSA-N 2 0 339.455 1.623 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000659096501 453629112 /nfs/dbraw/zinc/62/91/12/453629112.db2.gz CWUFYGCHKKCFMY-UHFFFAOYSA-N 2 0 346.475 1.807 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000665363959 453668311 /nfs/dbraw/zinc/66/83/11/453668311.db2.gz GNZKLTJCHOSJFO-CVEARBPZSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000659318934 453714127 /nfs/dbraw/zinc/71/41/27/453714127.db2.gz JFNYHXXRWWRDCW-INIZCTEOSA-N 2 0 343.418 1.607 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000661191480 453753204 /nfs/dbraw/zinc/75/32/04/453753204.db2.gz HXOVQLVASUPCJY-UHFFFAOYSA-N 2 0 349.479 1.115 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657308141 453762328 /nfs/dbraw/zinc/76/23/28/453762328.db2.gz OOSKMTBDZBRDLZ-UHFFFAOYSA-N 3 0 328.464 1.385 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1O ZINC000663400919 453789302 /nfs/dbraw/zinc/78/93/02/453789302.db2.gz WWACIBZZFXPZLG-BZSNNMDCSA-N 2 0 346.475 1.140 20 0 EDADRP C[NH+](C)CCCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000663409220 453791251 /nfs/dbraw/zinc/79/12/51/453791251.db2.gz KSQFPXDCPIVAOD-UHFFFAOYSA-N 2 0 333.480 1.545 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000663489173 453808528 /nfs/dbraw/zinc/80/85/28/453808528.db2.gz ZVMQKMSXHMTPLT-UHFFFAOYSA-N 2 0 331.460 1.733 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CN1CC[NH2+]CC1 ZINC000382719654 486696483 /nfs/dbraw/zinc/69/64/83/486696483.db2.gz KNGHLVRAZUMHBP-QGZVFWFLSA-N 2 0 330.476 1.015 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000416962472 486789857 /nfs/dbraw/zinc/78/98/57/486789857.db2.gz AECLINCWCKUEKG-CVEARBPZSA-N 2 0 334.464 1.696 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672757481 486791965 /nfs/dbraw/zinc/79/19/65/486791965.db2.gz BGPWAUWXHNDQEO-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734273 486810116 /nfs/dbraw/zinc/81/01/16/486810116.db2.gz JQLKMSNHIAKUCX-IAGOWNOFSA-N 2 0 330.476 1.655 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683849799 486839403 /nfs/dbraw/zinc/83/94/03/486839403.db2.gz BQDXVWDNEMEYHT-ZWKOTPCHSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667641685 486893810 /nfs/dbraw/zinc/89/38/10/486893810.db2.gz ZPRGMLQJQBORFV-CVEARBPZSA-N 2 0 348.495 1.688 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CCO1 ZINC000667662028 486903735 /nfs/dbraw/zinc/90/37/35/486903735.db2.gz DHJAFCDXHVQXOF-ZLIFDBKOSA-N 2 0 332.448 1.815 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667801855 486971846 /nfs/dbraw/zinc/97/18/46/486971846.db2.gz DNRXDFFUIRQQJT-CZUORRHYSA-N 2 0 329.448 1.818 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)cn1 ZINC000667837709 486987046 /nfs/dbraw/zinc/98/70/46/486987046.db2.gz MTWQXYHZSOLDSO-UHFFFAOYSA-N 2 0 344.419 1.571 20 0 EDADRP CC[NH+]1CCN(c2nc(N3CC[N@@H+](CC)[C@H](C)C3)ncc2C)C[C@@H]1C ZINC000677153818 486987488 /nfs/dbraw/zinc/98/74/88/486987488.db2.gz WIPKSKOGYACEAC-DLBZAZTESA-N 2 0 346.523 1.846 20 0 EDADRP CC[NH+]1CCN(CCOCCN2CC[N@@H+](CC)[C@@H](C)C2)C[C@H]1C ZINC000677193129 487003470 /nfs/dbraw/zinc/00/34/70/487003470.db2.gz WFPVLDQTUUVRBC-HDICACEKSA-N 2 0 326.529 1.055 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000667951333 487028417 /nfs/dbraw/zinc/02/84/17/487028417.db2.gz NKFJTCZPHSTVOW-GUDVDZBRSA-N 2 0 345.487 1.737 20 0 EDADRP O=C(CCC(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000684420427 487055270 /nfs/dbraw/zinc/05/52/70/487055270.db2.gz NWCVFHQOPCESPL-UHFFFAOYSA-N 2 0 326.391 1.755 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000077701007 487059703 /nfs/dbraw/zinc/05/97/03/487059703.db2.gz OVMJJRKWZWKHNV-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1[nH]nc2ccccc21)C(=O)NCC[NH+](C)C ZINC000677521392 487109254 /nfs/dbraw/zinc/10/92/54/487109254.db2.gz MYOASQUYIJJKDH-INIZCTEOSA-N 2 0 331.464 1.745 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cn1 ZINC000673867530 487139352 /nfs/dbraw/zinc/13/93/52/487139352.db2.gz OOBBMOLLEDSNET-MRXNPFEDSA-N 2 0 334.468 1.537 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(Cc2nnn(CC(F)(F)F)n2)CC1 ZINC000685035816 487218496 /nfs/dbraw/zinc/21/84/96/487218496.db2.gz JUACDEGFCKWYCV-UHFFFAOYSA-N 2 0 334.390 1.788 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000675196646 487388507 /nfs/dbraw/zinc/38/85/07/487388507.db2.gz GXBJAHMOGBNAQQ-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(O)cc2)c1 ZINC000679395250 487421648 /nfs/dbraw/zinc/42/16/48/487421648.db2.gz SLIFFJGBJCPUDN-UHFFFAOYSA-N 2 0 327.428 1.973 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000669521448 485488983 /nfs/dbraw/zinc/48/89/83/485488983.db2.gz NVHFSPBNBJURQD-YOEHRIQHSA-N 2 0 325.416 1.273 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)[C@H]1c1ccccc1 ZINC000669545866 485536645 /nfs/dbraw/zinc/53/66/45/485536645.db2.gz IDKHDBVDROZYDF-DZJNRPSUSA-N 2 0 328.460 1.825 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+](C)C)cc1 ZINC000669586764 485637576 /nfs/dbraw/zinc/63/75/76/485637576.db2.gz SXNMFPYTBCIWNR-KEGWNNHHSA-N 2 0 334.464 1.891 20 0 EDADRP OCC1(O)CC[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000668550343 485883199 /nfs/dbraw/zinc/88/31/99/485883199.db2.gz QDFAYPGBFACLRN-UHFFFAOYSA-N 2 0 334.460 1.480 20 0 EDADRP CN(c1ccccc1C[N@H+]1CCC(=O)N(C)CC1)C1CC[NH+](C)CC1 ZINC000668620671 485961157 /nfs/dbraw/zinc/96/11/57/485961157.db2.gz NPBHBXYWOKGYID-UHFFFAOYSA-N 2 0 344.503 1.881 20 0 EDADRP COc1ccc(C)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000586137376 486053255 /nfs/dbraw/zinc/05/32/55/486053255.db2.gz INLBSTGCOYRIKW-UHFFFAOYSA-N 2 0 343.493 1.118 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178841586 486245791 /nfs/dbraw/zinc/24/57/91/486245791.db2.gz GFLBWDHNWGMDPF-GOSISDBHSA-N 2 0 347.503 1.781 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000669510353 486293965 /nfs/dbraw/zinc/29/39/65/486293965.db2.gz MQBJLIDWWOJFMY-CQSZACIVSA-N 2 0 326.238 1.491 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1)CN1CC[NH+](C)CC1 ZINC000120785834 490998196 /nfs/dbraw/zinc/99/81/96/490998196.db2.gz JFNDGKVRKPAUGE-HZPDHXFCSA-N 2 0 343.479 1.196 20 0 EDADRP O[C@@H](COCc1ccccc1F)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000305066894 491007606 /nfs/dbraw/zinc/00/76/06/491007606.db2.gz IDCNRVIVUJZNDG-GOSISDBHSA-N 2 0 345.418 1.920 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000165105658 528100565 /nfs/dbraw/zinc/10/05/65/528100565.db2.gz IOPXQEVYPURPQA-UHFFFAOYSA-N 2 0 336.484 1.363 20 0 EDADRP CCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)CC1 ZINC000133292788 528202817 /nfs/dbraw/zinc/20/28/17/528202817.db2.gz QSINEFMOQFYVSX-UHFFFAOYSA-N 2 0 345.553 1.901 20 0 EDADRP CC[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+](C)C ZINC000153716740 529292953 /nfs/dbraw/zinc/29/29/53/529292953.db2.gz GYPYTBICAPVFSK-KRWDZBQOSA-N 2 0 346.475 1.663 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262691712 535059974 /nfs/dbraw/zinc/05/99/74/535059974.db2.gz ARWZEFJLJBLUAD-HOCLYGCPSA-N 2 0 332.448 1.306 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC000249365935 535199253 /nfs/dbraw/zinc/19/92/53/535199253.db2.gz VTHQINMWIVNCOT-QZTJIDSGSA-N 2 0 325.497 1.282 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)CC1 ZINC000262451962 535281679 /nfs/dbraw/zinc/28/16/79/535281679.db2.gz UTKSCZFPKRJQAW-QZTJIDSGSA-N 2 0 331.460 1.258 20 0 EDADRP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519246 535331018 /nfs/dbraw/zinc/33/10/18/535331018.db2.gz YVIJFILBZZAMRW-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000353105872 535332178 /nfs/dbraw/zinc/33/21/78/535332178.db2.gz AEUFRHUKCMRUSY-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000077554926 535356887 /nfs/dbraw/zinc/35/68/87/535356887.db2.gz KZSCNNDMARKXQK-UHFFFAOYSA-N 2 0 326.485 1.226 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000261551779 535439456 /nfs/dbraw/zinc/43/94/56/535439456.db2.gz XTNXDFRNEAFRTO-MBOZVWFJSA-N 2 0 345.487 1.910 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C ZINC000347072604 535481913 /nfs/dbraw/zinc/48/19/13/535481913.db2.gz YZZINJXCTSPPCV-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@@H]1CC ZINC000345746697 535598123 /nfs/dbraw/zinc/59/81/23/535598123.db2.gz MAGZXMXZLPVZAR-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000245931184 535735164 /nfs/dbraw/zinc/73/51/64/535735164.db2.gz QDGPJTAVOJPSBX-WOJBJXKFSA-N 2 0 347.503 1.276 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H](C[NH3+])OC ZINC000262751225 535770550 /nfs/dbraw/zinc/77/05/50/535770550.db2.gz BWYQFBHCQDKMNX-MSOLQXFVSA-N 2 0 333.476 1.721 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]([NH3+])C(C)(C)C)ccc2oc1=O ZINC000236988743 535933780 /nfs/dbraw/zinc/93/37/80/535933780.db2.gz BEFWWFIXHXTSJG-CQSZACIVSA-N 2 0 334.420 1.468 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000237164201 536340276 /nfs/dbraw/zinc/34/02/76/536340276.db2.gz ULSJMIHDXQIBNS-SFHVURJKSA-N 2 0 330.476 1.361 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)[NH3+])cc2)CC1 ZINC000262656889 536342669 /nfs/dbraw/zinc/34/26/69/536342669.db2.gz CUAFNVMFQDNPLT-UHFFFAOYSA-N 2 0 333.436 1.578 20 0 EDADRP C[NH+]1CCN(c2cc(-c3nc(C4([NH3+])CCCC4)no3)ccn2)CC1 ZINC000261679690 536417694 /nfs/dbraw/zinc/41/76/94/536417694.db2.gz GSVAITYDZHZYQR-UHFFFAOYSA-N 2 0 328.420 1.611 20 0 EDADRP CCC[N@H+](C)CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000743769343 579490420 /nfs/dbraw/zinc/49/04/20/579490420.db2.gz GCBYHRNYFNAETM-LJQANCHMSA-N 2 0 347.503 1.890 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727703758 578537963 /nfs/dbraw/zinc/53/79/63/578537963.db2.gz VOOVBDZEURSLFY-CQSZACIVSA-N 2 0 330.542 1.149 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H]([NH+](C)C)C3)cc2)CC1 ZINC000728389614 578547374 /nfs/dbraw/zinc/54/73/74/578547374.db2.gz ZVCWNDJERYMUPP-SFHVURJKSA-N 2 0 345.491 1.996 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000760161535 580024718 /nfs/dbraw/zinc/02/47/18/580024718.db2.gz YOHBJDAPOGREMV-CHWSQXEVSA-N 2 0 334.407 1.400 20 0 EDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000729285960 578563255 /nfs/dbraw/zinc/56/32/55/578563255.db2.gz VHSOHQHYWALKDW-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP C[NH+](C)CCNC(=S)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000732624599 578721207 /nfs/dbraw/zinc/72/12/07/578721207.db2.gz RONJVQQHOBFJQU-UHFFFAOYSA-N 2 0 344.594 1.764 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)/C=C\c1ccc(F)cc1 ZINC000747264376 579636465 /nfs/dbraw/zinc/63/64/65/579636465.db2.gz SWFQTCIBHUPVFI-ZROIWOOFSA-N 2 0 343.468 1.551 20 0 EDADRP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000747554069 579648694 /nfs/dbraw/zinc/64/86/94/579648694.db2.gz CTFGGDWVUDRWHH-HUUCEWRRSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000749592927 579731844 /nfs/dbraw/zinc/73/18/44/579731844.db2.gz XOZALSMXOWQSQN-RDJZCZTQSA-N 2 0 331.464 1.786 20 0 EDADRP CCCC[C@@H]1NC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782168 579934909 /nfs/dbraw/zinc/93/49/09/579934909.db2.gz YGDLIYOYAZAGMN-HOTGVXAUSA-N 2 0 336.480 1.718 20 0 EDADRP O=C1O[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC12CC2 ZINC000763761668 580105800 /nfs/dbraw/zinc/10/58/00/580105800.db2.gz SIJCABINQRPULY-KRWDZBQOSA-N 2 0 336.476 1.907 20 0 EDADRP OC[C@@H]1CSCC[NH+]1CCCCCC[N@H+]1CCSC[C@H]1CO ZINC000767120374 580182144 /nfs/dbraw/zinc/18/21/44/580182144.db2.gz SDHGFPDAJWAQPP-HZPDHXFCSA-N 2 0 348.578 1.366 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)NCC1CC[NH+](C2CC2)CC1 ZINC000773168785 580329454 /nfs/dbraw/zinc/32/94/54/580329454.db2.gz IFLJCENXVQSSQD-UHFFFAOYSA-N 2 0 326.554 1.913 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000774271846 580358281 /nfs/dbraw/zinc/35/82/81/580358281.db2.gz MCUOJEPINLMOGD-KRWDZBQOSA-N 2 0 334.533 1.923 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NOCCSC ZINC000793426585 580843875 /nfs/dbraw/zinc/84/38/75/580843875.db2.gz TUXHJFXWVCHWHD-AWEZNQCLSA-N 2 0 332.514 1.339 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000891806113 590629384 /nfs/dbraw/zinc/62/93/84/590629384.db2.gz VTDHFQZGSOCQCX-INIZCTEOSA-N 2 0 345.491 1.687 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891841134 590649022 /nfs/dbraw/zinc/64/90/22/590649022.db2.gz FKPXNZMBQZISSA-OAHLLOKOSA-N 2 0 326.485 1.176 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893106347 590664724 /nfs/dbraw/zinc/66/47/24/590664724.db2.gz PHOZZGYJFKXVNU-LSDHHAIUSA-N 2 0 330.444 1.445 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1(C)C ZINC000891880880 590667383 /nfs/dbraw/zinc/66/73/83/590667383.db2.gz OFQKWWVWXTZXEH-HNNXBMFYSA-N 2 0 339.528 1.090 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1CC1 ZINC000891954756 590705627 /nfs/dbraw/zinc/70/56/27/590705627.db2.gz UURYXNWOSADYOG-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnn(C)c1C1CC1)C(=O)NCC[NH+](C)C ZINC000893260070 590740374 /nfs/dbraw/zinc/74/03/74/590740374.db2.gz JBYIGXRQJBPQKL-INIZCTEOSA-N 2 0 335.496 1.480 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000892025508 590756352 /nfs/dbraw/zinc/75/63/52/590756352.db2.gz YJCZQSWMGMHHAI-VMBOVVBDSA-N 2 0 332.448 1.621 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892037124 590764785 /nfs/dbraw/zinc/76/47/85/590764785.db2.gz UQXDHUOJCRQZOA-MRXNPFEDSA-N 2 0 326.485 1.302 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NCC[NH+]1CCC(O)CC1)C(C)C ZINC000893369819 590812754 /nfs/dbraw/zinc/81/27/54/590812754.db2.gz BNIZFAFXFYJOGJ-UHFFFAOYSA-N 2 0 328.501 1.251 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170619 590842089 /nfs/dbraw/zinc/84/20/89/590842089.db2.gz VCVBGOLOHBMHHF-QZTJIDSGSA-N 2 0 346.475 1.247 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000892189704 590856778 /nfs/dbraw/zinc/85/67/78/590856778.db2.gz VRTFUMXHFLVFTI-YWPUVAFDSA-N 2 0 336.402 1.638 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892281029 590911093 /nfs/dbraw/zinc/91/10/93/590911093.db2.gz FCGUFWYGMJFGRS-NVXWUHKLSA-N 2 0 340.512 1.552 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892385958 591004710 /nfs/dbraw/zinc/00/47/10/591004710.db2.gz XGHXKPDCENLERQ-OAHLLOKOSA-N 2 0 326.485 1.175 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)[NH2+]C1 ZINC000892389994 591007416 /nfs/dbraw/zinc/00/74/16/591007416.db2.gz QIIADZSSGZKVRU-HOTGVXAUSA-N 2 0 338.496 1.128 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CC[C@@H]1C(F)(F)F ZINC000892453068 591033293 /nfs/dbraw/zinc/03/32/93/591033293.db2.gz IIUKBWSXOBVXTQ-ATWGWHJKSA-N 2 0 334.386 1.521 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891341210 591050666 /nfs/dbraw/zinc/05/06/66/591050666.db2.gz ZVOJEZZYLWFDGD-PKOBYXMFSA-N 2 0 343.475 1.630 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348227 591053749 /nfs/dbraw/zinc/05/37/49/591053749.db2.gz CJGBZYQFNZQVMN-JKSUJKDBSA-N 2 0 338.496 1.319 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578110 591079059 /nfs/dbraw/zinc/07/90/59/591079059.db2.gz PYVBGMQANPXKNG-BZSNNMDCSA-N 2 0 345.491 1.815 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC000891462006 591080384 /nfs/dbraw/zinc/08/03/84/591080384.db2.gz PLAOBNLILUMVDZ-PKOBYXMFSA-N 2 0 349.523 1.129 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892585526 591081907 /nfs/dbraw/zinc/08/19/07/591081907.db2.gz WRIHECFWYMMZKZ-NBMRYCAZSA-N 2 0 328.460 1.531 20 0 EDADRP CCN(C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000891509338 591099284 /nfs/dbraw/zinc/09/92/84/591099284.db2.gz SXXSFPSTPPUOQM-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891507313 591100161 /nfs/dbraw/zinc/10/01/61/591100161.db2.gz PQMFLPMEUZURNM-AWEZNQCLSA-N 2 0 326.485 1.175 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000891513219 591100313 /nfs/dbraw/zinc/10/03/13/591100313.db2.gz FHQFXCNMZKFFIZ-UHFFFAOYSA-N 2 0 345.447 1.553 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1)[C@H](C)N1CCOCC1 ZINC000891517836 591102595 /nfs/dbraw/zinc/10/25/95/591102595.db2.gz MGSFOCOLTPIDTC-KKUMJFAQSA-N 2 0 326.485 1.173 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000891565594 591128293 /nfs/dbraw/zinc/12/82/93/591128293.db2.gz QENCUZCIBIWRKS-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1C(F)(F)F ZINC000891576697 591132722 /nfs/dbraw/zinc/13/27/22/591132722.db2.gz NGIGUWPKCUDJCI-JHJVBQTASA-N 2 0 334.386 1.249 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000892735219 591154583 /nfs/dbraw/zinc/15/45/83/591154583.db2.gz DJSUTNWAURGDSS-UHFFFAOYSA-N 2 0 326.462 1.292 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(C[NH+]4CCCC4)cc3)C[C@H]2C1 ZINC000891630656 591158908 /nfs/dbraw/zinc/15/89/08/591158908.db2.gz HPYJDCUDZWAHDR-KDURUIRLSA-N 2 0 342.487 1.985 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892804873 591187015 /nfs/dbraw/zinc/18/70/15/591187015.db2.gz KXGPLOVQWNPEPE-QZTJIDSGSA-N 2 0 330.476 1.683 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000894105436 591195802 /nfs/dbraw/zinc/19/58/02/591195802.db2.gz IUEOXQVLMQXTNG-LHHMISFZSA-N 2 0 334.508 1.985 20 0 EDADRP CC(C)[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[N@@H+]1C ZINC000892877806 591212823 /nfs/dbraw/zinc/21/28/23/591212823.db2.gz KEZYMAIIDKWDBB-CYBMUJFWSA-N 2 0 337.493 1.352 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1C ZINC000892927924 591228436 /nfs/dbraw/zinc/22/84/36/591228436.db2.gz HUXGRGQJTDPDQU-HNNXBMFYSA-N 2 0 333.476 1.755 20 0 EDADRP CN1CCN(c2ncc(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000895844357 591283489 /nfs/dbraw/zinc/28/34/89/591283489.db2.gz DTPSFBXHAUFJKU-SJORKVTESA-N 2 0 331.464 1.229 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C[C@]2(C)C1 ZINC000895898841 591299119 /nfs/dbraw/zinc/29/91/19/591299119.db2.gz AFDWKRSZYRGJTF-GGPKGHCWSA-N 2 0 342.487 1.854 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)N3C[C@@H]4C[N@H+](C)C[C@@H]4C3)C2)cc1 ZINC000896144648 591356897 /nfs/dbraw/zinc/35/68/97/591356897.db2.gz YUWRATCGCVHGET-CEXWTWQISA-N 2 0 342.487 1.772 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000894660473 591383884 /nfs/dbraw/zinc/38/38/84/591383884.db2.gz PNJJXDXUJKJPEL-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894815335 591427958 /nfs/dbraw/zinc/42/79/58/591427958.db2.gz KWGOPEGNEFGRMF-GVDBMIGSSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@@H]1CN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H](C)CO1 ZINC000898668911 591466916 /nfs/dbraw/zinc/46/69/16/591466916.db2.gz MHPRSJHHSSFRIH-QFHJOOASSA-N 2 0 345.487 1.905 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000896491511 591477711 /nfs/dbraw/zinc/47/77/11/591477711.db2.gz RYEKCDTVWTUVGX-ZDUSSCGKSA-N 2 0 338.521 1.885 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCN1C ZINC000896541781 591506279 /nfs/dbraw/zinc/50/62/79/591506279.db2.gz IDDNXFOKEYGBTG-JQHSSLGASA-N 2 0 336.524 1.534 20 0 EDADRP CN(C)Cc1csc(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)n1 ZINC000896595688 591546125 /nfs/dbraw/zinc/54/61/25/591546125.db2.gz XTUNDPBEAPZFQI-UHFFFAOYSA-N 2 0 339.509 1.736 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)n[nH]1 ZINC000898990693 591627930 /nfs/dbraw/zinc/62/79/30/591627930.db2.gz LQFSZJPDMYGRRU-WMLDXEAASA-N 2 0 349.479 1.359 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000898121378 591788714 /nfs/dbraw/zinc/78/87/14/591788714.db2.gz NFVZINSTYZCILG-UHFFFAOYSA-N 2 0 345.487 1.715 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N(C)[C@@H]3CCC[N@H+](C)C3)cn21 ZINC000895533445 591791453 /nfs/dbraw/zinc/79/14/53/591791453.db2.gz IQVCYIMOTHSSAW-MRXNPFEDSA-N 2 0 329.448 1.921 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cncs1 ZINC000898179888 591823853 /nfs/dbraw/zinc/82/38/53/591823853.db2.gz OVYMHDBNJIYHQT-MGPQQGTHSA-N 2 0 339.509 1.585 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000899991459 591859998 /nfs/dbraw/zinc/85/99/98/591859998.db2.gz NQTAZVITUSRVLW-UHFFFAOYSA-N 2 0 343.475 1.658 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900198207 591938435 /nfs/dbraw/zinc/93/84/35/591938435.db2.gz ULFLXQVSMRRZRC-FUHWJXTLSA-N 2 0 325.497 1.460 20 0 EDADRP COc1c[nH]c(CO)c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195660 591942311 /nfs/dbraw/zinc/94/23/11/591942311.db2.gz MYLVLWHFBANHEB-SUMWQHHRSA-N 2 0 347.459 1.325 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)CN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000902344112 591977626 /nfs/dbraw/zinc/97/76/26/591977626.db2.gz BTINRSKYZIPDDK-CALCHBBNSA-N 2 0 349.475 1.185 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911377 591979791 /nfs/dbraw/zinc/97/97/91/591979791.db2.gz SXIZAPQWIQQWJI-KRWDZBQOSA-N 2 0 334.460 1.743 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900308107 591982859 /nfs/dbraw/zinc/98/28/59/591982859.db2.gz YFBQQPRGZPMEAH-KLAILNCOSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1CCC[C@H](C)N1C(=O)CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811208 592068851 /nfs/dbraw/zinc/06/88/51/592068851.db2.gz NIENMQTZBKKYNY-ZQDZILKHSA-N 2 0 338.452 1.138 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](Nc2ncccn2)C1 ZINC000903027611 592108223 /nfs/dbraw/zinc/10/82/23/592108223.db2.gz VBHHTSOQIMPNRM-ZWKOTPCHSA-N 2 0 341.459 1.456 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900733422 592111839 /nfs/dbraw/zinc/11/18/39/592111839.db2.gz DSEKLFPKSUZXNO-MOXGXCLJSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@H](C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000903175204 592130831 /nfs/dbraw/zinc/13/08/31/592130831.db2.gz RLSZYJODNFRGNK-HNNXBMFYSA-N 2 0 342.528 1.763 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000900816807 592135548 /nfs/dbraw/zinc/13/55/48/592135548.db2.gz CNHSQZNDDQGGGM-QZTJIDSGSA-N 2 0 338.540 1.591 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000903189226 592136159 /nfs/dbraw/zinc/13/61/59/592136159.db2.gz SXXDQNJOGYCXKT-KGLIPLIRSA-N 2 0 331.526 1.699 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000903189225 592136174 /nfs/dbraw/zinc/13/61/74/592136174.db2.gz SXXDQNJOGYCXKT-KBPBESRZSA-N 2 0 331.526 1.699 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(CCNC(=O)c3ccccc3F)CC2)C1 ZINC000903444211 592172916 /nfs/dbraw/zinc/17/29/16/592172916.db2.gz PSYJUGWCGACLJB-JKSUJKDBSA-N 2 0 348.466 1.301 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)C1 ZINC000903444064 592172962 /nfs/dbraw/zinc/17/29/62/592172962.db2.gz OQTLVEAESWDGGU-KSZLIROESA-N 2 0 333.476 1.171 20 0 EDADRP Cc1cn2c(nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc2=O)s1 ZINC000903452366 592173780 /nfs/dbraw/zinc/17/37/80/592173780.db2.gz LKKZZGYCVXDCNO-AWEZNQCLSA-N 2 0 332.473 1.886 20 0 EDADRP FC(F)(F)[C@H]1CC[C@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)O1 ZINC000903505604 592181649 /nfs/dbraw/zinc/18/16/49/592181649.db2.gz DVECCZGGZDETSJ-QKPAOTATSA-N 2 0 347.425 1.997 20 0 EDADRP CCCCc1noc([C@@H](C)[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)n1 ZINC000903491953 592184896 /nfs/dbraw/zinc/18/48/96/592184896.db2.gz HMBIMQVDWZMQSA-ZHRONYKTSA-N 2 0 336.436 1.686 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000900958783 592185340 /nfs/dbraw/zinc/18/53/40/592185340.db2.gz RGBUWLFRJUQAFZ-PMPSAXMXSA-N 2 0 339.480 1.251 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc3cccnc31)C2 ZINC000903493738 592186237 /nfs/dbraw/zinc/18/62/37/592186237.db2.gz WDTKEBKADUDYPS-FCEWJHQRSA-N 2 0 325.412 1.947 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C[C@H]1CC[NH3+] ZINC000903497044 592188419 /nfs/dbraw/zinc/18/84/19/592188419.db2.gz OJYYATZIGLZBBH-HZPDHXFCSA-N 2 0 348.466 1.391 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511786 592191083 /nfs/dbraw/zinc/19/10/83/592191083.db2.gz ZUIHCZHFRJVZTO-OQIJWPOYSA-N 2 0 348.535 1.582 20 0 EDADRP CO[C@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000903526240 592198425 /nfs/dbraw/zinc/19/84/25/592198425.db2.gz CYMQKDHXOPYAGS-LMMKCTJWSA-N 2 0 337.508 1.818 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000901024254 592202456 /nfs/dbraw/zinc/20/24/56/592202456.db2.gz XMDQKUIQDQGUEJ-ROUUACIJSA-N 2 0 338.540 1.638 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC2(C3CC[NH2+]CC3)CC2)cc1 ZINC000903557995 592219002 /nfs/dbraw/zinc/21/90/02/592219002.db2.gz LHWZTGDNPIWPCV-UHFFFAOYSA-N 2 0 337.489 1.559 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649289 592233663 /nfs/dbraw/zinc/23/36/63/592233663.db2.gz BTRCXJZQNBTUJI-CYBMUJFWSA-N 2 0 334.464 1.665 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000906654179 592236390 /nfs/dbraw/zinc/23/63/90/592236390.db2.gz GMNPDFCZYMGZLI-UHFFFAOYSA-N 2 0 344.459 1.607 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906654873 592237667 /nfs/dbraw/zinc/23/76/67/592237667.db2.gz ZNLVQHMQJNOOCR-ZDUSSCGKSA-N 2 0 332.448 1.229 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+]C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904365919 592242234 /nfs/dbraw/zinc/24/22/34/592242234.db2.gz BMHARVLPWZKOBK-FZNQNYSPSA-N 2 0 331.460 1.556 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906663042 592244989 /nfs/dbraw/zinc/24/49/89/592244989.db2.gz CCUAGWXZSVOFQA-HOCLYGCPSA-N 2 0 330.432 1.027 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C3CCOCC3)C2)cnn1C ZINC000904433010 592256215 /nfs/dbraw/zinc/25/62/15/592256215.db2.gz JBYOMIKEBLOJLJ-SJLPKXTDSA-N 2 0 334.508 1.985 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3[C@](C(F)(F)F)(C2)CCCS3(=O)=O)C1 ZINC000904473692 592268545 /nfs/dbraw/zinc/26/85/45/592268545.db2.gz BDDUUPBJWFJYSZ-WRWGMCAJSA-N 2 0 326.384 1.165 20 0 EDADRP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725503 592285333 /nfs/dbraw/zinc/28/53/33/592285333.db2.gz BTCDLQOTKJUQHQ-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP Cn1ccnc1-c1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)c1 ZINC000906715855 592285601 /nfs/dbraw/zinc/28/56/01/592285601.db2.gz BYZULPGGNYDQLY-RRFJBIMHSA-N 2 0 339.399 1.035 20 0 EDADRP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903740619 592303185 /nfs/dbraw/zinc/30/31/85/592303185.db2.gz XZETVCKOCUUUQC-QZTJIDSGSA-N 2 0 347.507 1.766 20 0 EDADRP c1ccc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903742253 592304563 /nfs/dbraw/zinc/30/45/63/592304563.db2.gz WFWNLJNBSLAESN-SFHVURJKSA-N 2 0 330.476 1.358 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903758221 592315235 /nfs/dbraw/zinc/31/52/35/592315235.db2.gz JUKHMQONRWZEKM-HUUCEWRRSA-N 2 0 339.505 1.977 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000906755792 592316089 /nfs/dbraw/zinc/31/60/89/592316089.db2.gz FNLPLLMRFHGUQE-CYBMUJFWSA-N 2 0 334.464 1.691 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOC1CCSCC1)C2 ZINC000903784418 592322208 /nfs/dbraw/zinc/32/22/08/592322208.db2.gz OGCWFSKLLTYVFH-ZENOOKHLSA-N 2 0 328.478 1.111 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908151451 592338823 /nfs/dbraw/zinc/33/88/23/592338823.db2.gz LLFJQYLGUBORFN-MKCYZYCBSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000903865342 592341271 /nfs/dbraw/zinc/34/12/71/592341271.db2.gz CMZRETIGXCORAV-MJGOQNOKSA-N 2 0 330.476 1.233 20 0 EDADRP O=C(CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCCCC1 ZINC000903877567 592357665 /nfs/dbraw/zinc/35/76/65/592357665.db2.gz BPMTXWVRADXRPI-YQQQUEKLSA-N 2 0 348.535 1.537 20 0 EDADRP CCCC(=O)NC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903886451 592363510 /nfs/dbraw/zinc/36/35/10/592363510.db2.gz SQWGVEVIQIRAKM-OAHLLOKOSA-N 2 0 335.496 1.227 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000903898098 592368657 /nfs/dbraw/zinc/36/86/57/592368657.db2.gz IWXKYZQRUBZNLX-KVSKMBFKSA-N 2 0 344.507 1.651 20 0 EDADRP CC1([C@@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)OCCO1 ZINC000903902958 592371306 /nfs/dbraw/zinc/37/13/06/592371306.db2.gz QACIRLIYODWEKM-CABCVRRESA-N 2 0 335.452 1.178 20 0 EDADRP COC(=O)C(C)(C)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903909204 592373836 /nfs/dbraw/zinc/37/38/36/592373836.db2.gz COVABBSMTGABHD-UHFFFAOYSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@@H](COc1cccc(F)c1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920269 592377362 /nfs/dbraw/zinc/37/73/62/592377362.db2.gz HYLYWZZFJBWDAL-ZFWWWQNUSA-N 2 0 333.411 1.899 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[N@H+](C)Cc3ccccc32)cnn1C ZINC000903925467 592380115 /nfs/dbraw/zinc/38/01/15/592380115.db2.gz FQSWZONHZSRVCX-MRXNPFEDSA-N 2 0 327.476 1.798 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)c1coc(CN2CC[C@H](OC)C2)n1 ZINC000906881446 592381863 /nfs/dbraw/zinc/38/18/63/592381863.db2.gz VSTWKGGPISYEKC-AWEZNQCLSA-N 2 0 338.452 1.357 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000903932171 592383200 /nfs/dbraw/zinc/38/32/00/592383200.db2.gz NLRBROXQLUXBHA-IRXDYDNUSA-N 3 0 332.496 1.414 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903937184 592387176 /nfs/dbraw/zinc/38/71/76/592387176.db2.gz DMJAFFOKFCWGTB-HUUCEWRRSA-N 2 0 343.431 1.305 20 0 EDADRP C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1cc[nH+]cc1 ZINC000903937841 592387867 /nfs/dbraw/zinc/38/78/67/592387867.db2.gz SKPVQGLFULQLHB-DOTOQJQBSA-N 2 0 341.463 1.308 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917527 592390024 /nfs/dbraw/zinc/39/00/24/592390024.db2.gz ZGNVXEULVIEXOB-CVEARBPZSA-N 2 0 330.480 1.237 20 0 EDADRP COC(=O)[C@]12CCC[C@H]1C[N@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903939909 592391774 /nfs/dbraw/zinc/39/17/74/592391774.db2.gz QHUOTHVKCMPRTL-ZVZYQTTQSA-N 2 0 334.464 1.121 20 0 EDADRP O=C(c1ccoc1)N1CCC([NH2+]C[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000903956236 592395365 /nfs/dbraw/zinc/39/53/65/592395365.db2.gz JNDUZSIHDFBHBW-CYBMUJFWSA-N 2 0 327.375 1.719 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+]Cc1ccccc1OCC(=O)NCC1CC1 ZINC000903974438 592398175 /nfs/dbraw/zinc/39/81/75/592398175.db2.gz MTDQVQLVKHTRBX-NVXWUHKLSA-N 2 0 345.487 1.927 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3ccn(C)n3)C2)cnn1C ZINC000903988412 592406940 /nfs/dbraw/zinc/40/69/40/592406940.db2.gz QPVHSBRUQIAOJQ-HZPDHXFCSA-N 2 0 330.480 1.459 20 0 EDADRP [NH3+][C@H](Cc1nc([C@H]2CN3CCC[C@H]3CO2)no1)Cc1ccccc1 ZINC000904100006 592425049 /nfs/dbraw/zinc/42/50/49/592425049.db2.gz VDXSVEPNOQTMRO-HRCADAONSA-N 2 0 328.416 1.718 20 0 EDADRP COc1cc(-c2noc([C@H](C[NH3+])OC)n2)ccc1OCC[NH+](C)C ZINC000904101932 592425947 /nfs/dbraw/zinc/42/59/47/592425947.db2.gz WJZGRJNUVBZTQC-AWEZNQCLSA-N 2 0 336.392 1.332 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC000908317355 592430685 /nfs/dbraw/zinc/43/06/85/592430685.db2.gz XZUGZDGYWVUZOI-RYRKJORJSA-N 2 0 335.492 1.715 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)N3CC[C@@]4(CC[N@H+](C)C4)C3)co2)C1 ZINC000908362004 592465690 /nfs/dbraw/zinc/46/56/90/592465690.db2.gz GGKUGWIAXUZUFY-KBXCAEBGSA-N 2 0 348.447 1.063 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)c1nc(CC2CC[NH2+]CC2)no1 ZINC000905307913 592500251 /nfs/dbraw/zinc/50/02/51/592500251.db2.gz AQSDLRYBYQJHHT-INIZCTEOSA-N 2 0 329.448 1.744 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344775 592500511 /nfs/dbraw/zinc/50/05/11/592500511.db2.gz YTFWULMWLHTNIM-ZNMIVQPWSA-N 2 0 331.526 1.272 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH+](C2CCCCC2)CC1 ZINC000905342094 592511810 /nfs/dbraw/zinc/51/18/10/592511810.db2.gz FMOZRMXIXQGKMA-UHFFFAOYSA-N 2 0 329.510 1.266 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905341406 592512046 /nfs/dbraw/zinc/51/20/46/592512046.db2.gz ZVCHRVPNKJBCSQ-MRXNPFEDSA-N 2 0 331.526 1.560 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2c2cc(NC[C@@H](C)O)ncn2)cc1 ZINC000905653087 592597186 /nfs/dbraw/zinc/59/71/86/592597186.db2.gz JCATVXFYKHLCLB-CJNGLKHVSA-N 2 0 343.431 1.429 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1ccc(CCO)cc1 ZINC000905690592 592605532 /nfs/dbraw/zinc/60/55/32/592605532.db2.gz GVGGOPNCIZLXSH-FQEVSTJZSA-N 2 0 328.456 1.804 20 0 EDADRP COCCc1nsc(N2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)n1 ZINC000905700488 592614799 /nfs/dbraw/zinc/61/47/99/592614799.db2.gz MOWFHHLLGAMZCM-OKILXGFUSA-N 2 0 337.493 1.132 20 0 EDADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000907449752 592661553 /nfs/dbraw/zinc/66/15/53/592661553.db2.gz YNEDMWRBEJUHBH-CRAIPNDOSA-N 2 0 332.492 1.287 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)cc1 ZINC000905889613 592668791 /nfs/dbraw/zinc/66/87/91/592668791.db2.gz NKFKTBVYKPCXPG-RBUKOAKNSA-N 2 0 336.476 1.520 20 0 EDADRP CC[C@@](O)(C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C(F)(F)F ZINC000905930143 592686910 /nfs/dbraw/zinc/68/69/10/592686910.db2.gz RDMAKPTWFNBMNG-OAHLLOKOSA-N 2 0 346.397 1.626 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1CN(C)CC[NH+](C)C1 ZINC000906226338 592766357 /nfs/dbraw/zinc/76/63/57/592766357.db2.gz DHQNTVHYLHQCMY-UHFFFAOYSA-N 2 0 346.519 1.636 20 0 EDADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)cccc21 ZINC000907844967 592824769 /nfs/dbraw/zinc/82/47/69/592824769.db2.gz VEYHUQAGKYCVRK-VQIMIIECSA-N 2 0 347.459 1.857 20 0 EDADRP CC(C)(C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+]1CCCCC1 ZINC000910366994 592846047 /nfs/dbraw/zinc/84/60/47/592846047.db2.gz XISGGBMNDWIAPI-UHFFFAOYSA-N 2 0 337.508 1.964 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000906644409 592865459 /nfs/dbraw/zinc/86/54/59/592865459.db2.gz AFMSFTPRFTZBFD-UHFFFAOYSA-N 2 0 330.432 1.074 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906645752 592865758 /nfs/dbraw/zinc/86/57/58/592865758.db2.gz KUBNQUYPKZCERH-HNNXBMFYSA-N 2 0 332.448 1.419 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000910963562 592904728 /nfs/dbraw/zinc/90/47/28/592904728.db2.gz LUKIWOQGYLTSMA-XIRDDKMYSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1)C(C)C ZINC000910999590 592909405 /nfs/dbraw/zinc/90/94/05/592909405.db2.gz MTVKZIQHJOCMSB-YJBOKZPZSA-N 2 0 340.512 1.070 20 0 EDADRP [NH3+][C@@H]1CC[C@H](CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000911002175 592909705 /nfs/dbraw/zinc/90/97/05/592909705.db2.gz QBVOFTQGMFZBDB-JKSUJKDBSA-N 2 0 338.496 1.002 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911663533 592973246 /nfs/dbraw/zinc/97/32/46/592973246.db2.gz DUMYLSPCUFOXIG-ZDUSSCGKSA-N 2 0 327.375 1.446 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000911666405 592974109 /nfs/dbraw/zinc/97/41/09/592974109.db2.gz YEZOFPYHDGYWRD-CXHZTBPHSA-N 2 0 331.460 1.980 20 0 EDADRP [NH3+][C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)[C@H]2C[C@H]21 ZINC000911744305 592995745 /nfs/dbraw/zinc/99/57/45/592995745.db2.gz HFHBBCFHMRSCAJ-BPKGMFCQSA-N 2 0 343.427 1.517 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000911811196 593015667 /nfs/dbraw/zinc/01/56/67/593015667.db2.gz RHMCXMZFMIQGIE-OLMNPRSZSA-N 2 0 329.444 1.818 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)c1ccc(NCCn2ccnc2)cc1 ZINC000912453126 593097728 /nfs/dbraw/zinc/09/77/28/593097728.db2.gz AYDNZLDRNWTXOD-UHFFFAOYSA-N 2 0 327.432 1.629 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000912588059 593106558 /nfs/dbraw/zinc/10/65/58/593106558.db2.gz IGSXZGJTNFJJEL-IYBDPMFKSA-N 2 0 325.497 1.458 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000912587832 593106587 /nfs/dbraw/zinc/10/65/87/593106587.db2.gz YETLDDSPOGSECF-UHFFFAOYSA-N 2 0 348.491 1.507 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1ccccn1 ZINC000806728549 593112275 /nfs/dbraw/zinc/11/22/75/593112275.db2.gz CYHDCEFLKGLNAP-SFHVURJKSA-N 2 0 348.491 1.473 20 0 EDADRP C[NH+](C)CCNC(=S)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000802721477 593272175 /nfs/dbraw/zinc/27/21/75/593272175.db2.gz VAVLJQNTDUIVMA-AWEZNQCLSA-N 2 0 328.913 1.968 20 0 EDADRP Cc1ccc(N2C(=O)C[C@@H]([N@H+](C)CC3CC[NH+](C)CC3)C2=O)cc1 ZINC000103500556 593343713 /nfs/dbraw/zinc/34/37/13/593343713.db2.gz LADCBKYFDPMJHL-QGZVFWFLSA-N 2 0 329.444 1.901 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839727496 593374737 /nfs/dbraw/zinc/37/47/37/593374737.db2.gz FNMBNSZECXDCGW-HOCLYGCPSA-N 2 0 325.522 1.804 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)CCCO1 ZINC000761548920 593417668 /nfs/dbraw/zinc/41/76/68/593417668.db2.gz KTQNPKVLPFLYRT-OAHLLOKOSA-N 2 0 344.569 1.539 20 0 EDADRP C[C@@H](CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000812011350 593488324 /nfs/dbraw/zinc/48/83/24/593488324.db2.gz ZNAXIOPLLSZJFR-KRWDZBQOSA-N 2 0 341.544 1.386 20 0 EDADRP COc1cc2[nH+]ccc(NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1OC ZINC000840252478 593500288 /nfs/dbraw/zinc/50/02/88/593500288.db2.gz WCLJHHCRWCZCSC-UONOGXRCSA-N 2 0 343.427 1.949 20 0 EDADRP C[C@H](CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1)C[NH+](C)C ZINC000816833203 593552529 /nfs/dbraw/zinc/55/25/29/593552529.db2.gz ARAGLALTKMRDFJ-YCABEKBOSA-N 2 0 333.476 1.954 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817910675 593647815 /nfs/dbraw/zinc/64/78/15/593647815.db2.gz CXEYCVBLLQFKNN-STQMWFEESA-N 2 0 339.452 1.358 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000818656466 593710650 /nfs/dbraw/zinc/71/06/50/593710650.db2.gz UYTATXKZRLNXGA-UHFFFAOYSA-N 2 0 348.491 1.440 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)c1cc(F)ccc1F)N1CC[NH+](C)CC1 ZINC000819062536 593736807 /nfs/dbraw/zinc/73/68/07/593736807.db2.gz RLISXGFREVKFBO-QZTJIDSGSA-N 2 0 341.446 1.860 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cc2)ccn1 ZINC000819195340 593743718 /nfs/dbraw/zinc/74/37/18/593743718.db2.gz AHQNECJOTMWFTI-QGZVFWFLSA-N 2 0 333.407 1.984 20 0 EDADRP C[C@H](C(=O)NCc1ccc(N(C)C(=O)[C@@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000821420297 593831166 /nfs/dbraw/zinc/83/11/66/593831166.db2.gz YYTNEUOIPVZBFV-ZIAGYGMSSA-N 2 0 334.464 1.166 20 0 EDADRP CCn1nc(C)c(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000823944297 593892086 /nfs/dbraw/zinc/89/20/86/593892086.db2.gz VYYOBVFYWCVLHZ-UHFFFAOYSA-N 2 0 334.512 1.646 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820829852 593899615 /nfs/dbraw/zinc/89/96/15/593899615.db2.gz NBNSWIUEMVWESQ-GOEBONIOSA-N 2 0 339.505 1.680 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824546699 594036335 /nfs/dbraw/zinc/03/63/35/594036335.db2.gz KASYHDPJLCOAIV-AWEZNQCLSA-N 2 0 343.479 1.543 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594282 594044528 /nfs/dbraw/zinc/04/45/28/594044528.db2.gz ZPRQBRHWAYDPTP-OAHLLOKOSA-N 2 0 343.479 1.545 20 0 EDADRP CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]([NH3+])c1ccccc1 ZINC000827936848 594306816 /nfs/dbraw/zinc/30/68/16/594306816.db2.gz WVBQVAHRDOWAPU-BRWVUGGUSA-N 2 0 331.460 1.692 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000829584185 594645328 /nfs/dbraw/zinc/64/53/28/594645328.db2.gz UXLYQQBROUFVEL-QGZVFWFLSA-N 2 0 339.524 1.781 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)nc1N ZINC000827481458 594676272 /nfs/dbraw/zinc/67/62/72/594676272.db2.gz NREXJHRRUWEKHC-UHFFFAOYSA-N 2 0 341.887 1.663 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000841018650 594840242 /nfs/dbraw/zinc/84/02/42/594840242.db2.gz ZLKQXQQJGBUOGH-OAHLLOKOSA-N 2 0 331.464 1.784 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000841020730 594840850 /nfs/dbraw/zinc/84/08/50/594840850.db2.gz UTNLOHLDMGMMHQ-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP CCc1nn(C)c(Cl)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841087361 594849243 /nfs/dbraw/zinc/84/92/43/594849243.db2.gz LKTJOCRQZXHWAC-UHFFFAOYSA-N 2 0 339.915 1.942 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000841455447 594902994 /nfs/dbraw/zinc/90/29/94/594902994.db2.gz SGIIUPHFWIGSRX-YFHOEESVSA-N 2 0 331.460 1.851 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847176 594964489 /nfs/dbraw/zinc/96/44/89/594964489.db2.gz RXELJGFBXGMBPH-GFCCVEGCSA-N 2 0 331.416 1.674 20 0 EDADRP CC[NH2+]CCCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000841918122 594981390 /nfs/dbraw/zinc/98/13/90/594981390.db2.gz SFKGMDXRQXZRMI-IBGZPJMESA-N 2 0 348.491 1.264 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000841929014 594983603 /nfs/dbraw/zinc/98/36/03/594983603.db2.gz PHQNICWCXSMJEQ-GOSISDBHSA-N 2 0 330.476 1.815 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000842015387 595002944 /nfs/dbraw/zinc/00/29/44/595002944.db2.gz KJVSNTLMPWNXPU-GJZGRUSLSA-N 2 0 346.475 1.313 20 0 EDADRP COc1cc(-c2noc(CCCC[NH3+])n2)ccc1OCC[NH+](C)C ZINC000843200190 595030745 /nfs/dbraw/zinc/03/07/45/595030745.db2.gz AHLWZUAWOVAMRT-UHFFFAOYSA-N 2 0 334.420 1.967 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258886 595055102 /nfs/dbraw/zinc/05/51/02/595055102.db2.gz DBXVQYZSFNSGIA-BZUAXINKSA-N 2 0 340.512 1.104 20 0 EDADRP Cc1ccc(N2CC[C@H]([N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2=O)cc1 ZINC000842474973 595114437 /nfs/dbraw/zinc/11/44/37/595114437.db2.gz HBPWNGAGHGWTQR-MSOLQXFVSA-N 2 0 328.460 1.080 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CCOCC2 ZINC000842639238 595152834 /nfs/dbraw/zinc/15/28/34/595152834.db2.gz QCBKENYKWBDXBH-HNAYVOBHSA-N 2 0 349.475 1.752 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844170940 595290411 /nfs/dbraw/zinc/29/04/11/595290411.db2.gz UYKQUDKIUZJRIF-BRWVUGGUSA-N 2 0 325.497 1.629 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000844170066 595290461 /nfs/dbraw/zinc/29/04/61/595290461.db2.gz GCZRPPJLMSTZHE-OALUTQOASA-N 2 0 343.471 1.461 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000844178202 595293537 /nfs/dbraw/zinc/29/35/37/595293537.db2.gz WJJLBYPRVBLAAT-MOPGFXCFSA-N 2 0 345.487 1.926 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000844182629 595294426 /nfs/dbraw/zinc/29/44/26/595294426.db2.gz LVBLPHOFJPZBSS-SFHVURJKSA-N 2 0 349.475 1.402 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)cc1 ZINC000843178495 595299698 /nfs/dbraw/zinc/29/96/98/595299698.db2.gz SFRTZSYFBRWUAT-AWEZNQCLSA-N 2 0 348.472 1.925 20 0 EDADRP [NH3+]C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218577 595305018 /nfs/dbraw/zinc/30/50/18/595305018.db2.gz WHBADSQDJVJSAJ-INIZCTEOSA-N 2 0 346.475 1.523 20 0 EDADRP CCN1C[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)OC1=O ZINC000846793168 595317148 /nfs/dbraw/zinc/31/71/48/595317148.db2.gz XHWCLKYCDAKICX-MRXNPFEDSA-N 2 0 325.453 1.261 20 0 EDADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073766 595478382 /nfs/dbraw/zinc/47/83/82/595478382.db2.gz BQVUUAOJHKFGCX-HUUCEWRRSA-N 2 0 346.431 1.647 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCCC[NH+]2CCN(c3ccccc3)CC2)CCO1 ZINC000849095882 595480975 /nfs/dbraw/zinc/48/09/75/595480975.db2.gz QXVSGQUVJQIISF-KRWDZBQOSA-N 2 0 345.491 1.444 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)CNC(=O)OC(C)(C)C ZINC000849098151 595481453 /nfs/dbraw/zinc/48/14/53/595481453.db2.gz PGHNYYLFWZBCRV-STQMWFEESA-N 2 0 327.473 1.498 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ncn(-c2ccccc2)n1 ZINC000849112693 595483983 /nfs/dbraw/zinc/48/39/83/595483983.db2.gz BZBAQDICPACDDT-HNNXBMFYSA-N 2 0 327.436 1.366 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[NH+](C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849503989 595553140 /nfs/dbraw/zinc/55/31/40/595553140.db2.gz AQIIJQCIQUEMDT-BPQIPLTHSA-N 2 0 347.507 1.302 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000849502417 595553183 /nfs/dbraw/zinc/55/31/83/595553183.db2.gz QJKYFDYQEAGHIM-DLBZAZTESA-N 2 0 347.507 1.446 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](c2cnn(C)c2)C1 ZINC000849540943 595559814 /nfs/dbraw/zinc/55/98/14/595559814.db2.gz JWECRIAHAARKOT-OKZBNKHCSA-N 2 0 347.507 1.444 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)=NO1 ZINC000852857343 595578744 /nfs/dbraw/zinc/57/87/44/595578744.db2.gz QBLSSTUAILUXQF-INIZCTEOSA-N 2 0 330.432 1.392 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849599590 595588302 /nfs/dbraw/zinc/58/83/02/595588302.db2.gz CRRQXARQGCKZBY-IAGOWNOFSA-N 2 0 349.523 1.690 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000852871590 595590464 /nfs/dbraw/zinc/59/04/64/595590464.db2.gz UANINZMFLWBUDL-QLFBSQMISA-N 2 0 334.468 1.195 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852873357 595592341 /nfs/dbraw/zinc/59/23/41/595592341.db2.gz TTXPIESTISIUAC-QGZVFWFLSA-N 2 0 342.487 1.623 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C=C3CC[NH2+]CC3)nc2)CC1 ZINC000852873385 595592490 /nfs/dbraw/zinc/59/24/90/595592490.db2.gz UNIUAOPKCLPIHN-UHFFFAOYSA-N 2 0 343.475 1.860 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849607031 595593035 /nfs/dbraw/zinc/59/30/35/595593035.db2.gz SRBWCPYPZMFMRY-YESZJQIVSA-N 2 0 333.480 1.008 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612369 595596906 /nfs/dbraw/zinc/59/69/06/595596906.db2.gz KNUFQQYYDLETIH-IRXDYDNUSA-N 2 0 349.523 1.738 20 0 EDADRP C[C@H](CNC(=O)NCCN1C[C@@H](C)OC[C@@H]1C)[NH+]1CCCCC1 ZINC000853465161 595758531 /nfs/dbraw/zinc/75/85/31/595758531.db2.gz CMVDIEBBJFTHFU-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC000850423013 595831430 /nfs/dbraw/zinc/83/14/30/595831430.db2.gz LAJFVDGBCJIZRV-KLAILNCOSA-N 2 0 340.512 1.659 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000850432847 595832825 /nfs/dbraw/zinc/83/28/25/595832825.db2.gz CGAGCPOJEKFWQH-OFLPRAFFSA-N 2 0 341.496 1.870 20 0 EDADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000851634524 595862957 /nfs/dbraw/zinc/86/29/57/595862957.db2.gz HMVBYYMPDYIYNG-QGZVFWFLSA-N 2 0 338.411 1.548 20 0 EDADRP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780816 595921108 /nfs/dbraw/zinc/92/11/08/595921108.db2.gz KQYPCNWHLOEKFO-LSDHHAIUSA-N 2 0 334.397 1.989 20 0 EDADRP COC(=O)CCN1CC[C@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213461 596005781 /nfs/dbraw/zinc/00/57/81/596005781.db2.gz NXHDPDGPVMNRKH-KRWDZBQOSA-N 2 0 347.459 1.344 20 0 EDADRP CCN(C)C(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856590561 596024915 /nfs/dbraw/zinc/02/49/15/596024915.db2.gz WNBMFSVVKFIWTE-SFHVURJKSA-N 2 0 348.491 1.855 20 0 EDADRP CCOC[C@H](O)C[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856592761 596026555 /nfs/dbraw/zinc/02/65/55/596026555.db2.gz WPSBWASBIRNSJF-AEFFLSMTSA-N 2 0 337.464 1.384 20 0 EDADRP O=C(CC[NH+]1CCc2ccccc2C1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861717216 596078033 /nfs/dbraw/zinc/07/80/33/596078033.db2.gz YQWNNHDDXALRNZ-OALUTQOASA-N 2 0 343.471 1.102 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)CC1 ZINC000861985017 596170216 /nfs/dbraw/zinc/17/02/16/596170216.db2.gz QPZCGWDRQTVTQG-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](O)c3cccnc3)CC2)CC1 ZINC000862018914 596184031 /nfs/dbraw/zinc/18/40/31/596184031.db2.gz GHYYFBNQYRCMBR-SFHVURJKSA-N 2 0 346.475 1.134 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)n1 ZINC000852743672 596237078 /nfs/dbraw/zinc/23/70/78/596237078.db2.gz HMSCMJRBZIOHGB-OAHLLOKOSA-N 2 0 336.867 1.687 20 0 EDADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)OC1 ZINC000866660407 596283705 /nfs/dbraw/zinc/28/37/05/596283705.db2.gz HRXOSKVRAZSGHD-GVDBMIGSSA-N 2 0 337.508 1.772 20 0 EDADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707620 596303150 /nfs/dbraw/zinc/30/31/50/596303150.db2.gz AYLCXVDIFJJUEZ-JQHSSLGASA-N 2 0 345.443 1.841 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712263 596304813 /nfs/dbraw/zinc/30/48/13/596304813.db2.gz SBMBPJJQEQXMLL-VVLHAWIVSA-N 2 0 337.464 1.449 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862402432 596321864 /nfs/dbraw/zinc/32/18/64/596321864.db2.gz NNPRUSRHFKCUEZ-JONQDZQNSA-N 2 0 341.496 1.941 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870896245 596394176 /nfs/dbraw/zinc/39/41/76/596394176.db2.gz IIUYNAMKXTZWAG-GXFFZTMASA-N 2 0 328.254 1.905 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000870908505 596399596 /nfs/dbraw/zinc/39/95/96/596399596.db2.gz NRVCPDCQAUYSKN-XUWXXGDYSA-N 2 0 337.414 1.982 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870912964 596400923 /nfs/dbraw/zinc/40/09/23/596400923.db2.gz ONBKBLCZYYFKGV-HIFRSBDPSA-N 2 0 338.249 1.661 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000870965452 596420664 /nfs/dbraw/zinc/42/06/64/596420664.db2.gz QSBXOUBLSXVJNZ-LJWDBELGSA-N 2 0 326.238 1.477 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(-n2cccc2)c1 ZINC000865177741 596501084 /nfs/dbraw/zinc/50/10/84/596501084.db2.gz KTJGOFKBMSYEQS-UHFFFAOYSA-N 2 0 329.448 1.438 20 0 EDADRP Cn1cc(-c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)cn1 ZINC000865178159 596502221 /nfs/dbraw/zinc/50/22/21/596502221.db2.gz ROZMDLYWDUJBJU-UHFFFAOYSA-N 2 0 343.475 1.653 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000871280238 596519807 /nfs/dbraw/zinc/51/98/07/596519807.db2.gz FFHLFQSOZHGERG-MSOLQXFVSA-N 2 0 331.460 1.264 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000871466962 596593142 /nfs/dbraw/zinc/59/31/42/596593142.db2.gz AZGVGSAHQBKTNG-XHSDSOJGSA-N 2 0 340.512 1.164 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CC2([NH3+])CCOCC2)C1 ZINC000863481984 596593953 /nfs/dbraw/zinc/59/39/53/596593953.db2.gz OQVOUXXQJWTFFZ-STQMWFEESA-N 2 0 334.407 1.841 20 0 EDADRP C[C@@H]1[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CCCN1C(=O)OC(C)(C)C ZINC000863554552 596616971 /nfs/dbraw/zinc/61/69/71/596616971.db2.gz BUIIZDDRTLFQFB-PMPSAXMXSA-N 2 0 341.496 1.821 20 0 EDADRP COc1cc(NC[C@@H](O)C[NH+]2CCCC2)ccc1OCC[NH+](C)C ZINC000863559918 596618848 /nfs/dbraw/zinc/61/88/48/596618848.db2.gz YKICQFNNNXNJPB-MRXNPFEDSA-N 2 0 337.464 1.504 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]([NH3+])Cc3ccccc3)cc2)CC1 ZINC000207094255 596649411 /nfs/dbraw/zinc/64/94/11/596649411.db2.gz RRCJPBAHMCINOV-LJQANCHMSA-N 2 0 338.455 1.947 20 0 EDADRP Cc1cc(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)n(C2CC[NH+](C)CC2)n1 ZINC000868130821 596697224 /nfs/dbraw/zinc/69/72/24/596697224.db2.gz SLHGQVWWKDSZGS-CVEARBPZSA-N 2 0 346.479 1.816 20 0 EDADRP CCc1cccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870021067 596711992 /nfs/dbraw/zinc/71/19/92/596711992.db2.gz ZLRBSQOVBPLDJA-RTBURBONSA-N 2 0 331.504 1.989 20 0 EDADRP Cc1nc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000870021936 596712755 /nfs/dbraw/zinc/71/27/55/596712755.db2.gz VZRIMFCAVFQXQQ-HUUCEWRRSA-N 2 0 338.521 1.582 20 0 EDADRP CSc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000870021777 596712765 /nfs/dbraw/zinc/71/27/65/596712765.db2.gz KRVMXPJUNTYHMR-CHWSQXEVSA-N 2 0 325.478 1.813 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH+](C)C ZINC000870022955 596713146 /nfs/dbraw/zinc/71/31/46/596713146.db2.gz GCVKQXVOFWBFOA-QZTJIDSGSA-N 3 0 338.540 1.450 20 0 EDADRP Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2ccccc21 ZINC000870024271 596713734 /nfs/dbraw/zinc/71/37/34/596713734.db2.gz NJCWDWVHMUXHBF-HZPDHXFCSA-N 2 0 342.487 1.990 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2c[nH]c3ccccc23)C[C@H]1C[NH+](C)C ZINC000870025769 596714475 /nfs/dbraw/zinc/71/44/75/596714475.db2.gz XPIYJLXQVWSUGA-IAGOWNOFSA-N 2 0 342.487 1.908 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CC3(CSC3)C2)C[C@H]1C[NH+](C)C ZINC000870025765 596714645 /nfs/dbraw/zinc/71/46/45/596714645.db2.gz XLWYZYDXDDRSOX-HUUCEWRRSA-N 2 0 325.522 1.327 20 0 EDADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1c2c(nc3ncnn31)CCC2 ZINC000865934624 596728765 /nfs/dbraw/zinc/72/87/65/596728765.db2.gz YUZDSZZPUFFRRE-ZDUSSCGKSA-N 2 0 331.468 1.297 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868239392 596740958 /nfs/dbraw/zinc/74/09/58/596740958.db2.gz OBCMYWCMYSLTGQ-IXDOHACOSA-N 2 0 344.459 1.429 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1C ZINC000872144488 596808974 /nfs/dbraw/zinc/80/89/74/596808974.db2.gz GMDAGAMENAWTJR-INIZCTEOSA-N 2 0 343.431 1.669 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1C ZINC000872144489 596809442 /nfs/dbraw/zinc/80/94/42/596809442.db2.gz GMDAGAMENAWTJR-MRXNPFEDSA-N 2 0 343.431 1.669 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@H](C)C1 ZINC000872191232 596827922 /nfs/dbraw/zinc/82/79/22/596827922.db2.gz XUEHTBQNRIPXLQ-HZPDHXFCSA-N 2 0 340.512 1.153 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000872201919 596833761 /nfs/dbraw/zinc/83/37/61/596833761.db2.gz LVVHPWWUIOHUNW-SFHVURJKSA-N 2 0 336.476 1.255 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)cc1 ZINC000872664179 597019447 /nfs/dbraw/zinc/01/94/47/597019447.db2.gz QEFKOHHXAHFQBV-DLBZAZTESA-N 2 0 337.489 1.605 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000876513317 597226095 /nfs/dbraw/zinc/22/60/95/597226095.db2.gz BVUQYHFSMQUYDU-GOSISDBHSA-N 2 0 344.503 1.567 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000876521094 597229662 /nfs/dbraw/zinc/22/96/62/597229662.db2.gz HCLWEKCISBXEPV-HUUCEWRRSA-N 2 0 345.443 1.876 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([NH2+]Cc3cc4c(s3)CC[NH2+]C4)C2=O)n1 ZINC000873211927 597229867 /nfs/dbraw/zinc/22/98/67/597229867.db2.gz SNYRPCMCRBZPFE-CQSZACIVSA-N 2 0 345.472 1.413 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)n2)CC1 ZINC000873322989 597256351 /nfs/dbraw/zinc/25/63/51/597256351.db2.gz KHWQYGVGQDMPNL-RHSMWYFYSA-N 2 0 332.452 1.556 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000876708870 597297394 /nfs/dbraw/zinc/29/73/94/597297394.db2.gz CQTVNCAGJQQJST-AGPFEHKHSA-N 2 0 331.460 1.826 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(COC)C[NH2+]CCO2)cc1 ZINC000876712158 597299626 /nfs/dbraw/zinc/29/96/26/597299626.db2.gz MQAOTKRWVIQOSA-LJQANCHMSA-N 2 0 349.475 1.150 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000876718968 597303033 /nfs/dbraw/zinc/30/30/33/597303033.db2.gz ACQJCSUAJUIJAW-MSOLQXFVSA-N 2 0 347.459 1.455 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000876719284 597303481 /nfs/dbraw/zinc/30/34/81/597303481.db2.gz HLCXGBOWGCBCRN-UHFFFAOYSA-N 2 0 341.459 1.316 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000876721323 597304921 /nfs/dbraw/zinc/30/49/21/597304921.db2.gz SPVAOZDYACGTAQ-OTUKTJHOSA-N 2 0 328.460 1.574 20 0 EDADRP CC[C@H](CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000876723013 597305831 /nfs/dbraw/zinc/30/58/31/597305831.db2.gz KQANQXKZVDEAMD-NXHRZFHOSA-N 2 0 333.451 1.887 20 0 EDADRP CC[C@H](CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000876723012 597305846 /nfs/dbraw/zinc/30/58/46/597305846.db2.gz KQANQXKZVDEAMD-KBAYOESNSA-N 2 0 333.451 1.887 20 0 EDADRP Cc1ccsc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875155074 597306276 /nfs/dbraw/zinc/30/62/76/597306276.db2.gz RLEXYPJGKPWBNI-HUUCEWRRSA-N 2 0 338.521 1.937 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876728906 597309973 /nfs/dbraw/zinc/30/99/73/597309973.db2.gz ZEOLJHDTAKBOSR-CQSZACIVSA-N 2 0 347.381 1.790 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876736494 597314200 /nfs/dbraw/zinc/31/42/00/597314200.db2.gz JNEIATODAGBITI-ZWKOTPCHSA-N 2 0 333.451 1.962 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)C2)CC1 ZINC000876742341 597317231 /nfs/dbraw/zinc/31/72/31/597317231.db2.gz XIPYCFPSEHGHCA-GVDBMIGSSA-N 2 0 325.472 1.905 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000876755215 597324054 /nfs/dbraw/zinc/32/40/54/597324054.db2.gz SYVFRGDJVGBQSC-JKSUJKDBSA-N 2 0 331.464 1.425 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876764163 597329685 /nfs/dbraw/zinc/32/96/85/597329685.db2.gz KNHSJGMVGJRDDO-LSDHHAIUSA-N 2 0 327.444 1.085 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876771504 597333231 /nfs/dbraw/zinc/33/32/31/597333231.db2.gz YPDDQRYOYBAQDV-DMTLFAOVSA-N 2 0 330.432 1.341 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782595 597338921 /nfs/dbraw/zinc/33/89/21/597338921.db2.gz XTFJNSXRWGUJDL-MSOLQXFVSA-N 2 0 344.503 1.424 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000877039618 597419644 /nfs/dbraw/zinc/41/96/44/597419644.db2.gz HMTBTRFLGHUMFM-GOSISDBHSA-N 2 0 342.430 1.997 20 0 EDADRP CO[C@@H]1CCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875458513 597437427 /nfs/dbraw/zinc/43/74/27/597437427.db2.gz FEZWSWADYSKJQL-QBPKDAKJSA-N 2 0 340.512 1.182 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151767 597443833 /nfs/dbraw/zinc/44/38/33/597443833.db2.gz RESWZQFTLCYHMO-DLBZAZTESA-N 2 0 332.492 1.340 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)[NH2+]C1 ZINC000877153627 597444506 /nfs/dbraw/zinc/44/45/06/597444506.db2.gz WYJMKULTUJZYAZ-ZBFHGGJFSA-N 2 0 328.460 1.932 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NOCCC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000875512519 597460142 /nfs/dbraw/zinc/46/01/42/597460142.db2.gz BAUJXOHPIVCQPY-VXGBXAGGSA-N 2 0 340.390 1.251 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)(c2ccccc2)CC1 ZINC000877225873 597466872 /nfs/dbraw/zinc/46/68/72/597466872.db2.gz XFZJVBRZVGLEGI-FXAWDEMLSA-N 2 0 327.472 1.766 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]([NH3+])c3ccc(C)cc3)C[C@H]2[NH3+])cc1 ZINC000877238023 597473919 /nfs/dbraw/zinc/47/39/19/597473919.db2.gz UAUANMLQGQYSSJ-IPMKNSEASA-N 2 0 339.439 1.957 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000877244649 597477008 /nfs/dbraw/zinc/47/70/08/597477008.db2.gz IJKHHBFSPRYIDS-SOAMZJECSA-N 2 0 343.471 1.379 20 0 EDADRP CCN(CCC[NH+](CC)CC)Cc1cccc(S(N)(=O)=O)c1 ZINC000877528296 597531068 /nfs/dbraw/zinc/53/10/68/597531068.db2.gz XULFJSNFJKXMEV-UHFFFAOYSA-N 2 0 327.494 1.888 20 0 EDADRP COc1cc2c(cc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OCO2 ZINC000877669401 597546370 /nfs/dbraw/zinc/54/63/70/597546370.db2.gz HTQDTGDAAAFKAU-HZPDHXFCSA-N 2 0 349.475 1.595 20 0 EDADRP CCN(C)c1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000877669406 597546449 /nfs/dbraw/zinc/54/64/49/597546449.db2.gz HWIUIOFCXFDIKH-QZTJIDSGSA-N 2 0 333.524 1.709 20 0 EDADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)CC1(O)CCCCC1 ZINC000877969528 597567151 /nfs/dbraw/zinc/56/71/51/597567151.db2.gz DAJRYHHVEBJIBO-GOSISDBHSA-N 2 0 340.508 1.477 20 0 EDADRP CCN(CC(=O)NC1CC[NH+](C)CC1)Cc1ccc(OC)cc1OC ZINC000878007718 597569226 /nfs/dbraw/zinc/56/92/26/597569226.db2.gz IVQDOJGTEJEVRO-UHFFFAOYSA-N 2 0 349.475 1.736 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(C(N)=O)cc3)CC2)C1 ZINC000878248208 597589838 /nfs/dbraw/zinc/58/98/38/597589838.db2.gz SIINYIVDYJMUQU-GOSISDBHSA-N 2 0 330.476 1.040 20 0 EDADRP COC(=O)c1ccccc1CC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879596700 597651443 /nfs/dbraw/zinc/65/14/43/597651443.db2.gz QNTYWYCHHVVNCA-UHFFFAOYSA-N 2 0 345.487 1.728 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCN3c4ccccc4C[C@@H]3C2)CC1 ZINC000878625495 597659753 /nfs/dbraw/zinc/65/97/53/597659753.db2.gz VTSDOAJQTMDMNX-GOSISDBHSA-N 2 0 342.487 1.334 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCCOC1 ZINC000883191354 597682073 /nfs/dbraw/zinc/68/20/73/597682073.db2.gz ZRSOLKDUYFNAMU-BQFCYCMXSA-N 2 0 326.481 1.519 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883212218 597686555 /nfs/dbraw/zinc/68/65/55/597686555.db2.gz DGLILWPISCFYEQ-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCCOC1 ZINC000883234465 597691377 /nfs/dbraw/zinc/69/13/77/597691377.db2.gz GMEWKYXIUFVRDI-ZCNNSNEGSA-N 2 0 348.487 1.784 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000879973918 597791998 /nfs/dbraw/zinc/79/19/98/597791998.db2.gz FDINZMSDCUGOAD-XMTFNYHQSA-N 2 0 337.508 1.602 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3c2OCO3)C[C@H]1C[NH+](C)C ZINC000879145360 597831333 /nfs/dbraw/zinc/83/13/33/597831333.db2.gz TYEHERYMKLRFOQ-ZIAGYGMSSA-N 2 0 348.447 1.618 20 0 EDADRP Cc1ccc(C(=O)NC2CCN(C[C@@H](O)C[NH+]3CCCC3)CC2)cc1 ZINC000879169646 597839547 /nfs/dbraw/zinc/83/95/47/597839547.db2.gz OEBFFCWFEZKTIY-IBGZPJMESA-N 2 0 345.487 1.646 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCN(S(C)(=O)=O)C1)CC2 ZINC000879251159 597864924 /nfs/dbraw/zinc/86/49/24/597864924.db2.gz PRWGXXWCUPLITO-HNNXBMFYSA-N 2 0 329.510 1.076 20 0 EDADRP CCc1ccc(C[NH+]2CCN(C[C@H](O)C[N@H+](C)CCOC)CC2)cc1 ZINC000880249077 597881948 /nfs/dbraw/zinc/88/19/48/597881948.db2.gz RXJYRCKNDCDTEG-HXUWFJFHSA-N 2 0 349.519 1.306 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000884022214 597970519 /nfs/dbraw/zinc/97/05/19/597970519.db2.gz AAWRSFMNRVPOLT-INIZCTEOSA-N 2 0 331.416 1.661 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884038995 597975014 /nfs/dbraw/zinc/97/50/14/597975014.db2.gz ASGXRGZEALYGAM-AWEZNQCLSA-N 2 0 339.443 1.441 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884180577 598016697 /nfs/dbraw/zinc/01/66/97/598016697.db2.gz CVHRYFBOXCCAGE-UHFFFAOYSA-N 2 0 331.464 1.097 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192656 598022109 /nfs/dbraw/zinc/02/21/09/598022109.db2.gz KVTYSQROLQLAIB-GXFFZTMASA-N 2 0 326.238 1.517 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000884195757 598023194 /nfs/dbraw/zinc/02/31/94/598023194.db2.gz YEENCFARQXSEOL-KRWDZBQOSA-N 2 0 343.475 1.192 20 0 EDADRP C[N@H+](CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884200613 598026129 /nfs/dbraw/zinc/02/61/29/598026129.db2.gz GTQDYXBNZPFESO-CYBMUJFWSA-N 2 0 326.238 1.659 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000884220512 598033625 /nfs/dbraw/zinc/03/36/25/598033625.db2.gz VLPDLYWZPDXEGC-KRWDZBQOSA-N 2 0 335.448 1.141 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884245264 598041442 /nfs/dbraw/zinc/04/14/42/598041442.db2.gz SKHLOKIYVOWCBR-GAFUQQFSSA-N 2 0 326.238 1.645 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884265907 598047827 /nfs/dbraw/zinc/04/78/27/598047827.db2.gz WYLFKDYBOOQRPL-OLZOCXBDSA-N 2 0 326.238 1.707 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000884284798 598054588 /nfs/dbraw/zinc/05/45/88/598054588.db2.gz SAQSCQXJJJPERR-GOSISDBHSA-N 2 0 339.439 1.902 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(Br)cc1 ZINC000884293084 598057431 /nfs/dbraw/zinc/05/74/31/598057431.db2.gz SSWBFOAITMNAIY-OLZOCXBDSA-N 2 0 338.249 1.707 20 0 EDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995014707 699968357 /nfs/dbraw/zinc/96/83/57/699968357.db2.gz MRKXTUPHLZXDDN-HOTGVXAUSA-N 2 0 345.491 1.423 20 0 EDADRP Cn1ccnc1CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992758734 695289337 /nfs/dbraw/zinc/28/93/37/695289337.db2.gz SNPVOODRTXZZEZ-GVDBMIGSSA-N 2 0 330.476 1.979 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992911119 695447041 /nfs/dbraw/zinc/44/70/41/695447041.db2.gz WGGBTKAZXOVSCC-BHYGNILZSA-N 2 0 332.448 1.487 20 0 EDADRP O=C(NC1CN(CC2CC(F)(F)C2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031081732 695483801 /nfs/dbraw/zinc/48/38/01/695483801.db2.gz BPWGFVWEIQEHOA-HUUCEWRRSA-N 2 0 327.419 1.849 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1)C[NH+](C)C ZINC000915073785 695732482 /nfs/dbraw/zinc/73/24/82/695732482.db2.gz ZUEGUWNCLJUABH-HOTGVXAUSA-N 2 0 328.501 1.373 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@@H]2C)ccc2c[nH+]cn21 ZINC000993500168 696179389 /nfs/dbraw/zinc/17/93/89/696179389.db2.gz IRBZAESCYLJVMP-RHSMWYFYSA-N 2 0 330.432 1.608 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C23CCC[NH+]2CCC3)CCC[N@@H+]1CCn1cccn1 ZINC000993527440 696206380 /nfs/dbraw/zinc/20/63/80/696206380.db2.gz JBJVRGDFROHQTA-IAGOWNOFSA-N 2 0 345.491 1.481 20 0 EDADRP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1CCn1cccn1 ZINC000993929365 696448395 /nfs/dbraw/zinc/44/83/95/696448395.db2.gz PKWMLAAXRJWBPW-SJLPKXTDSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)CCC[N@@H+]1CCCO ZINC000994164066 696551465 /nfs/dbraw/zinc/55/14/65/696551465.db2.gz WIAUMKHZOQWBAU-GDBMZVCRSA-N 2 0 343.431 1.232 20 0 EDADRP Cc1ccncc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248142 696637851 /nfs/dbraw/zinc/63/78/51/696637851.db2.gz DNDSGUVVXNEDST-WMZOPIPTSA-N 2 0 342.487 1.955 20 0 EDADRP Cc1cc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)on1 ZINC000994249370 696639240 /nfs/dbraw/zinc/63/92/40/696639240.db2.gz GCVKAESRTHZHTK-GDBMZVCRSA-N 2 0 332.448 1.548 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H]1C ZINC000994489187 696931361 /nfs/dbraw/zinc/93/13/61/696931361.db2.gz TXFSSSZCJNMVNY-YJBOKZPZSA-N 2 0 333.476 1.977 20 0 EDADRP C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000994504097 696941538 /nfs/dbraw/zinc/94/15/38/696941538.db2.gz GOABPHZXPOBVIU-CRAIPNDOSA-N 2 0 342.443 1.545 20 0 EDADRP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CN(C)CCO3)CC2)cc1 ZINC000940024320 700122618 /nfs/dbraw/zinc/12/26/18/700122618.db2.gz FUESOBUGNPAMGJ-SFHVURJKSA-N 2 0 345.487 1.796 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3ncccc3c2)C1 ZINC001031580300 697276056 /nfs/dbraw/zinc/27/60/56/697276056.db2.gz RYUKXCQQUYPFDD-IBGZPJMESA-N 2 0 338.455 1.877 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C)C[C@@H]2CC(C)C)C1 ZINC000919634498 697307610 /nfs/dbraw/zinc/30/76/10/697307610.db2.gz JNHWEQKTMUAPTE-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@@H+]1C ZINC000920406059 697426818 /nfs/dbraw/zinc/42/68/18/697426818.db2.gz XFKOSZNVBWHLOT-KBXIAJHMSA-N 2 0 326.510 1.348 20 0 EDADRP Cc1cc(CN2CC(CNC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)C2)on1 ZINC001031668683 697462528 /nfs/dbraw/zinc/46/25/28/697462528.db2.gz LZMMKMUNSHOMSX-HOTGVXAUSA-N 2 0 332.448 1.405 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](C[C@H](O)C3CCCCC3)C2)CC[N@@H+]1C ZINC001031681754 697505815 /nfs/dbraw/zinc/50/58/15/697505815.db2.gz HXOAXKBRHMAFJQ-OLMNPRSZSA-N 2 0 337.508 1.316 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688571 697525561 /nfs/dbraw/zinc/52/55/61/697525561.db2.gz IRGFTNYXVBZTHK-RTBURBONSA-N 2 0 343.471 1.140 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C[N@@H+]1C1CC1 ZINC000921383951 697582524 /nfs/dbraw/zinc/58/25/24/697582524.db2.gz GLKOMMRPHZXEET-KYJSFNMBSA-N 2 0 345.491 1.999 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC000921387878 697587466 /nfs/dbraw/zinc/58/74/66/697587466.db2.gz TXYDLLKQZPIIJA-ZNMIVQPWSA-N 2 0 342.553 1.842 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000921435170 697611351 /nfs/dbraw/zinc/61/13/51/697611351.db2.gz WBWSHGHDPKYZLP-FHLIZLRMSA-N 2 0 345.491 1.856 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cnc(C)nc2)C1 ZINC001031714761 697737526 /nfs/dbraw/zinc/73/75/26/697737526.db2.gz MCQDWEDWNQKMAV-QGZVFWFLSA-N 2 0 331.464 1.207 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1)OC ZINC001031730675 698086672 /nfs/dbraw/zinc/08/66/72/698086672.db2.gz VATXOZAXYOXVSU-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000237932359 698518938 /nfs/dbraw/zinc/51/89/38/698518938.db2.gz OTJRTIHAJDGWHZ-JKSUJKDBSA-N 2 0 331.416 1.661 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC000940116814 700249118 /nfs/dbraw/zinc/24/91/18/700249118.db2.gz HYPWSVXTUUOWQR-NVXWUHKLSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nncn3C)CC2)CC[N@@H+]1C ZINC000940123578 700256819 /nfs/dbraw/zinc/25/68/19/700256819.db2.gz MTESIAJMHGBQKX-LSDHHAIUSA-N 2 0 348.495 1.016 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939064634 699132221 /nfs/dbraw/zinc/13/22/21/699132221.db2.gz ZWVCJNOXNUWAEM-MAUKXSAKSA-N 2 0 347.507 1.224 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3nonc3c2)C1 ZINC001031777163 699162262 /nfs/dbraw/zinc/16/22/62/699162262.db2.gz XIDHCRXDVCWNHT-QGZVFWFLSA-N 2 0 343.431 1.255 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939127031 699204665 /nfs/dbraw/zinc/20/46/65/699204665.db2.gz AXYOWXVRMQYCNK-CXAGYDPISA-N 2 0 348.491 1.960 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)ccc2c[nH+]cn21 ZINC001031800657 699320264 /nfs/dbraw/zinc/32/02/64/699320264.db2.gz YFCQQGJHKVHTGY-HNNXBMFYSA-N 2 0 342.443 1.731 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939257021 699434205 /nfs/dbraw/zinc/43/42/05/699434205.db2.gz IGIQHLMMMFQHPP-CJNGLKHVSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939257009 699434249 /nfs/dbraw/zinc/43/42/49/699434249.db2.gz HYSDXKDGJVMWPT-RHSMWYFYSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939258549 699436136 /nfs/dbraw/zinc/43/61/36/699436136.db2.gz RBLDBZAXNQHPEZ-FZKQIMNGSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939396560 699546465 /nfs/dbraw/zinc/54/64/65/699546465.db2.gz KNQZAJQLDQNCHH-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636394 701601952 /nfs/dbraw/zinc/60/19/52/701601952.db2.gz KNVCDHQYHBAMBC-SJORKVTESA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H]1CN(C(=O)Cc2cncn2C)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939533892 699672064 /nfs/dbraw/zinc/67/20/64/699672064.db2.gz FTEOJEJPMYRWMY-YVEFUNNKSA-N 2 0 343.431 1.465 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939547588 699672908 /nfs/dbraw/zinc/67/29/08/699672908.db2.gz YAZBLIIEHBCQMN-XJKSGUPXSA-N 2 0 332.448 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939541408 699682034 /nfs/dbraw/zinc/68/20/34/699682034.db2.gz NNZLEAYPHMVHPO-OCCSQVGLSA-N 2 0 330.436 1.058 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941675002 701614885 /nfs/dbraw/zinc/61/48/85/701614885.db2.gz PJXXEYFRVHMNAP-QGZVFWFLSA-N 2 0 340.487 1.049 20 0 EDADRP Cc1oncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995004364 699902728 /nfs/dbraw/zinc/90/27/28/699902728.db2.gz CZKCBTXKSYZSJE-NVXWUHKLSA-N 2 0 346.475 1.986 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)on1 ZINC000995166155 701620042 /nfs/dbraw/zinc/62/00/42/701620042.db2.gz GFTRSCXHLQHZTE-LSDHHAIUSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939809881 699958208 /nfs/dbraw/zinc/95/82/08/699958208.db2.gz KIKYNZSBPFFBME-GDBMZVCRSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939809931 699958251 /nfs/dbraw/zinc/95/82/51/699958251.db2.gz KNJWRGRYHDQPQN-WMLDXEAASA-N 2 0 334.464 1.796 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940142813 700271842 /nfs/dbraw/zinc/27/18/42/700271842.db2.gz SOHDUBWGHRIGOF-MRXNPFEDSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)(C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000940247225 700411944 /nfs/dbraw/zinc/41/19/44/700411944.db2.gz ANIHGLUDSHNZMW-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCCN(Cc2nncs2)CC1 ZINC000948244541 700428504 /nfs/dbraw/zinc/42/85/04/700428504.db2.gz HHLOUCGUFOLEDF-ZIAGYGMSSA-N 2 0 337.493 1.445 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940328056 700505656 /nfs/dbraw/zinc/50/56/56/700505656.db2.gz DTDQNCGAEJDETN-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940328911 700507509 /nfs/dbraw/zinc/50/75/09/700507509.db2.gz NDVXCROVZYENCJ-ZDUSSCGKSA-N 2 0 337.493 1.493 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940329767 700509679 /nfs/dbraw/zinc/50/96/79/700509679.db2.gz YQBYBAZKNFISHD-HNNXBMFYSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nc1 ZINC000995067926 700531455 /nfs/dbraw/zinc/53/14/55/700531455.db2.gz AYITVRIUNGFKKA-NVXWUHKLSA-N 2 0 345.491 1.501 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC000940392129 700568524 /nfs/dbraw/zinc/56/85/24/700568524.db2.gz LAJWQNRQHLKTCY-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000940426283 700620097 /nfs/dbraw/zinc/62/00/97/700620097.db2.gz NNSPIPGIJQIJAS-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427161 700621257 /nfs/dbraw/zinc/62/12/57/700621257.db2.gz ATYQVSXVYKBJNF-UHFFFAOYSA-N 2 0 332.448 1.550 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)cn1 ZINC000940471908 700657252 /nfs/dbraw/zinc/65/72/52/700657252.db2.gz AXANYWLBPDOIDY-UHFFFAOYSA-N 2 0 347.507 1.767 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)nn1 ZINC000940472400 700657695 /nfs/dbraw/zinc/65/76/95/700657695.db2.gz VSELGGQYGDBJDO-UHFFFAOYSA-N 2 0 348.495 1.162 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000940457605 700661160 /nfs/dbraw/zinc/66/11/60/700661160.db2.gz MOWLJGYCINSGCC-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995081474 700711630 /nfs/dbraw/zinc/71/16/30/700711630.db2.gz VESDUJDLLJGSBU-WMLDXEAASA-N 2 0 348.491 1.953 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000995168585 701664343 /nfs/dbraw/zinc/66/43/43/701664343.db2.gz OYFWMSLKFNJOJU-DLBZAZTESA-N 2 0 335.492 1.383 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995099935 700886543 /nfs/dbraw/zinc/88/65/43/700886543.db2.gz BGGISJBSYGWKEI-LSDHHAIUSA-N 2 0 349.479 1.484 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2ccns2)C1)C12CC[NH+](CC1)C2 ZINC000995170751 701686460 /nfs/dbraw/zinc/68/64/60/701686460.db2.gz YDTSRTBMHOXLKF-UONOGXRCSA-N 2 0 334.489 1.613 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001031923333 701097201 /nfs/dbraw/zinc/09/72/01/701097201.db2.gz ZXKYBIOGEFGDRY-GOSISDBHSA-N 2 0 349.519 1.724 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000995119591 701110598 /nfs/dbraw/zinc/11/05/98/701110598.db2.gz LZWPUOBETTWKSW-WMZOPIPTSA-N 2 0 347.507 1.527 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](C[C@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031925856 701128994 /nfs/dbraw/zinc/12/89/94/701128994.db2.gz QCHCMDAXKCJKRT-BHYGNILZSA-N 2 0 337.508 1.580 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124509 701182319 /nfs/dbraw/zinc/18/23/19/701182319.db2.gz REDPDEDDXZAOEN-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999169002 706597125 /nfs/dbraw/zinc/59/71/25/706597125.db2.gz CBFVAZDDKVSPOL-RDJZCZTQSA-N 2 0 332.448 1.405 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031931762 701371418 /nfs/dbraw/zinc/37/14/18/701371418.db2.gz OKQSJZWXUYOFMQ-UHFFFAOYSA-N 2 0 349.475 1.820 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169211 706597699 /nfs/dbraw/zinc/59/76/99/706597699.db2.gz DNIMTQKNSPGWAB-JKSUJKDBSA-N 2 0 332.448 1.405 20 0 EDADRP CC1(C)C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221128 701411400 /nfs/dbraw/zinc/41/14/00/701411400.db2.gz LJSUFPPIRMBWHG-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999171204 706601018 /nfs/dbraw/zinc/60/10/18/706601018.db2.gz URQFZXULABFZDJ-QZTJIDSGSA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC001031949462 701525446 /nfs/dbraw/zinc/52/54/46/701525446.db2.gz SUBNSQIVAFMWGK-GOSISDBHSA-N 2 0 349.450 1.249 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1 ZINC001032134531 701891903 /nfs/dbraw/zinc/89/19/03/701891903.db2.gz YITNJFNQXXHAHL-DNVCBOLYSA-N 2 0 344.459 1.236 20 0 EDADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ncc(C)cn2)C1 ZINC000995179780 701936514 /nfs/dbraw/zinc/93/65/14/701936514.db2.gz CLUBBWQBZJPXHL-LSDHHAIUSA-N 2 0 342.447 1.434 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190924 706633442 /nfs/dbraw/zinc/63/34/42/706633442.db2.gz WFKVFUMBELFGIR-VNQPRFMTSA-N 2 0 348.491 1.966 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821584 702090708 /nfs/dbraw/zinc/09/07/08/702090708.db2.gz JGANEOVMBSNTLZ-JKSUJKDBSA-N 2 0 345.491 1.089 20 0 EDADRP Cc1cc(F)ccc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031980475 702132097 /nfs/dbraw/zinc/13/20/97/702132097.db2.gz SNOMEGOCFZMMQM-KSSFIOAISA-N 2 0 333.451 1.880 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001032182248 702190837 /nfs/dbraw/zinc/19/08/37/702190837.db2.gz ILGBGYDDGHQENM-OAHLLOKOSA-N 2 0 337.414 1.507 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995885398 702220414 /nfs/dbraw/zinc/22/04/14/702220414.db2.gz IONNYWIESJESMS-OAHLLOKOSA-N 2 0 334.464 1.794 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CC1 ZINC000995891173 702233685 /nfs/dbraw/zinc/23/36/85/702233685.db2.gz CMLFLLBDEACVOE-SJORKVTESA-N 2 0 330.476 1.748 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCc3ccccc3Cl)C2)C1 ZINC001032185913 702311940 /nfs/dbraw/zinc/31/19/40/702311940.db2.gz FHOOBTCXQTWKFL-MRXNPFEDSA-N 2 0 335.879 1.882 20 0 EDADRP CC(C)[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000995956152 702321612 /nfs/dbraw/zinc/32/16/12/702321612.db2.gz GUPARCWMGFNVEK-OAHLLOKOSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995982849 702342669 /nfs/dbraw/zinc/34/26/69/702342669.db2.gz QEKIHHATTJIHLI-KGLIPLIRSA-N 2 0 335.452 1.189 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995972947 702357481 /nfs/dbraw/zinc/35/74/81/702357481.db2.gz FJMJTEDYCUOBFJ-HZPDHXFCSA-N 2 0 333.480 1.231 20 0 EDADRP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995205781 702629540 /nfs/dbraw/zinc/62/95/40/702629540.db2.gz CIMOKVKOQFMSKU-CVEARBPZSA-N 2 0 348.495 1.077 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)CC1 ZINC000996220302 702632021 /nfs/dbraw/zinc/63/20/21/702632021.db2.gz FJSFUJVMRYWXQI-QGZVFWFLSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1)[NH+](C)C ZINC000996243111 702647278 /nfs/dbraw/zinc/64/72/78/702647278.db2.gz CFUOXSMDUZDNQO-JKSUJKDBSA-N 2 0 335.496 1.333 20 0 EDADRP C[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942255760 702747035 /nfs/dbraw/zinc/74/70/35/702747035.db2.gz AMAZTUUURAZKBT-WMZOPIPTSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995218598 702754830 /nfs/dbraw/zinc/75/48/30/702754830.db2.gz YGCALLSBYOOMJQ-HOTGVXAUSA-N 2 0 345.491 1.300 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399849 702756660 /nfs/dbraw/zinc/75/66/60/702756660.db2.gz TUPIXIXLCDOQIJ-YOEHRIQHSA-N 2 0 348.491 1.842 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465575 702792769 /nfs/dbraw/zinc/79/27/69/702792769.db2.gz WNLUPDOFCVOZMQ-KRWDZBQOSA-N 2 0 348.495 1.251 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)CC1 ZINC000996451101 702796261 /nfs/dbraw/zinc/79/62/61/702796261.db2.gz ZIIHWZJXVLFMLG-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP C[NH+](C)[C@@](C)(C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1)c1ccccc1 ZINC000996503658 702825395 /nfs/dbraw/zinc/82/53/95/702825395.db2.gz BABSNVAIVMPTFJ-QFBILLFUSA-N 2 0 333.476 1.282 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434650 702841304 /nfs/dbraw/zinc/84/13/04/702841304.db2.gz DINBVZXGJMNAKT-ZWKOTPCHSA-N 2 0 339.524 1.924 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520230 702856094 /nfs/dbraw/zinc/85/60/94/702856094.db2.gz OHICZEHDKDHXFO-MRXNPFEDSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@H]([NH2+]Cc2c(C)noc2C)C(C)(C)C1 ZINC000996562392 702876087 /nfs/dbraw/zinc/87/60/87/702876087.db2.gz KNXQROGJFMUKIF-INIZCTEOSA-N 2 0 345.447 1.892 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cc1 ZINC000996608331 702911641 /nfs/dbraw/zinc/91/16/41/702911641.db2.gz HKBROYVVRGSSOZ-AEFFLSMTSA-N 2 0 345.487 1.974 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610548 702915450 /nfs/dbraw/zinc/91/54/50/702915450.db2.gz JIQOREWNUOSIQT-KRWDZBQOSA-N 2 0 347.507 1.886 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996614361 702919803 /nfs/dbraw/zinc/91/98/03/702919803.db2.gz MTEHMACTSRFTJY-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615637 702922980 /nfs/dbraw/zinc/92/29/80/702922980.db2.gz QDNUUEYDMLIQMR-IAGOWNOFSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CCC1 ZINC000996666489 702963314 /nfs/dbraw/zinc/96/33/14/702963314.db2.gz QPPCKQBLBDOYPL-QAPCUYQASA-N 2 0 335.492 1.478 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)C1CCC1 ZINC000996667024 702963907 /nfs/dbraw/zinc/96/39/07/702963907.db2.gz VVXNCPWXAGXWIY-UHFFFAOYSA-N 2 0 346.479 1.247 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996667734 702964892 /nfs/dbraw/zinc/96/48/92/702964892.db2.gz XPHPLMPMWQNNNF-HNNXBMFYSA-N 2 0 349.479 1.437 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)[nH]1 ZINC000996666065 702968397 /nfs/dbraw/zinc/96/83/97/702968397.db2.gz OTKCDPGHJWGZKP-CYBMUJFWSA-N 2 0 348.495 1.493 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)s1 ZINC000996678854 702977564 /nfs/dbraw/zinc/97/75/64/702977564.db2.gz OHOPWRZJNSUKBW-INIZCTEOSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996725131 703019713 /nfs/dbraw/zinc/01/97/13/703019713.db2.gz FBEGVMQWTFNBLL-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996731162 703028233 /nfs/dbraw/zinc/02/82/33/703028233.db2.gz VGJFKTOGWVJBAJ-KRWDZBQOSA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000996755367 703044230 /nfs/dbraw/zinc/04/42/30/703044230.db2.gz CGLWHEZZEZYULR-INIZCTEOSA-N 2 0 348.495 1.016 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)nn1 ZINC000996762673 703054550 /nfs/dbraw/zinc/05/45/50/703054550.db2.gz AHEZJQGDSAXYTE-UHFFFAOYSA-N 2 0 346.479 1.007 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000996868694 703141115 /nfs/dbraw/zinc/14/11/15/703141115.db2.gz XKYGJRRETDAUHX-ZDUSSCGKSA-N 2 0 349.479 1.894 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)cn1 ZINC000996920803 703191520 /nfs/dbraw/zinc/19/15/20/703191520.db2.gz FOMKQIYFJNCGLG-YOEHRIQHSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996920940 703191882 /nfs/dbraw/zinc/19/18/82/703191882.db2.gz HFCIPPRLBYVSQO-ZFWWWQNUSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042417 703199909 /nfs/dbraw/zinc/19/99/09/703199909.db2.gz CPMXABJHFREYSM-RTBURBONSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996942602 703211878 /nfs/dbraw/zinc/21/18/78/703211878.db2.gz DSLBVWWUCXQPNY-UHFFFAOYSA-N 2 0 348.495 1.281 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CCc3ccns3)CC2)CC1 ZINC000996955489 703224802 /nfs/dbraw/zinc/22/48/02/703224802.db2.gz PEGSVMCNLVOAKR-UHFFFAOYSA-N 2 0 336.505 1.608 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC000996966082 703225997 /nfs/dbraw/zinc/22/59/97/703225997.db2.gz PURTZQHPFYZOBK-DLBZAZTESA-N 2 0 339.524 1.968 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1ncccn1 ZINC000997000274 703257275 /nfs/dbraw/zinc/25/72/75/703257275.db2.gz OQIMBBPWXBTHJW-HUUCEWRRSA-N 2 0 331.464 1.603 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997004001 703260932 /nfs/dbraw/zinc/26/09/32/703260932.db2.gz BGZJEBTUDOMOTF-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997009131 703269764 /nfs/dbraw/zinc/26/97/64/703269764.db2.gz YGSXTRMKBFFFBI-AWEZNQCLSA-N 2 0 334.464 1.659 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1)C(N)=O ZINC000997064110 703308880 /nfs/dbraw/zinc/30/88/80/703308880.db2.gz SYOGDXQNVWHFSU-HOCLYGCPSA-N 2 0 338.496 1.095 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1)C(N)=O ZINC000997101084 703347016 /nfs/dbraw/zinc/34/70/16/703347016.db2.gz PAHMMWGHSDZLSG-QGZVFWFLSA-N 2 0 346.475 1.206 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cnn(CCF)c3)ccn2)CC1 ZINC000921540265 703413368 /nfs/dbraw/zinc/41/33/68/703413368.db2.gz QQBTUNGEUBGSOY-UHFFFAOYSA-N 2 0 332.427 1.289 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997185270 703474395 /nfs/dbraw/zinc/47/43/95/703474395.db2.gz FXFOSAPXBUGPTI-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP Cn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997186875 703476443 /nfs/dbraw/zinc/47/64/43/703476443.db2.gz UPOWGOJEMLGKCP-GDBMZVCRSA-N 2 0 348.495 1.016 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cn(C(C)(C)C)nn3)CC2)C1 ZINC000997300836 703544117 /nfs/dbraw/zinc/54/41/17/703544117.db2.gz YGVKJMGSQPMLTL-CQSZACIVSA-N 2 0 348.495 1.065 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997359726 703590408 /nfs/dbraw/zinc/59/04/08/703590408.db2.gz JISBKUSXYPXAIJ-HUUCEWRRSA-N 2 0 333.480 1.374 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997360298 703590720 /nfs/dbraw/zinc/59/07/20/703590720.db2.gz NIHHIIRWLYFEBC-STQMWFEESA-N 2 0 337.493 1.492 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997366667 703600359 /nfs/dbraw/zinc/60/03/59/703600359.db2.gz IXHWROKQSLZAMR-SFHVURJKSA-N 2 0 347.507 1.418 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921565723 703606028 /nfs/dbraw/zinc/60/60/28/703606028.db2.gz PIVGLUHBMXRIIK-IRXDYDNUSA-N 2 0 342.528 1.620 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@H](C)O)CC1)[NH+]1CCCCC1 ZINC000997368238 703606150 /nfs/dbraw/zinc/60/61/50/703606150.db2.gz DOCRXXPLAUMQAF-DOTOQJQBSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000921584349 703627712 /nfs/dbraw/zinc/62/77/12/703627712.db2.gz UVUXRZOVJXQJEF-IIDMSEBBSA-N 2 0 345.491 1.999 20 0 EDADRP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc2c[nH+]cn2c1C ZINC001032488360 703761446 /nfs/dbraw/zinc/76/14/46/703761446.db2.gz AONZJDRCWFNGCL-KCXAZCMYSA-N 2 0 328.416 1.576 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000997516601 703765850 /nfs/dbraw/zinc/76/58/50/703765850.db2.gz SISXEPVHCRKVDH-YJBOKZPZSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000997556452 703828491 /nfs/dbraw/zinc/82/84/91/703828491.db2.gz KFJJXWDGUJZUOJ-OAHLLOKOSA-N 2 0 344.459 1.289 20 0 EDADRP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997608331 703905231 /nfs/dbraw/zinc/90/52/31/703905231.db2.gz VAVVDMBCPQUWJJ-MRXNPFEDSA-N 2 0 348.495 1.281 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995549253 703932383 /nfs/dbraw/zinc/93/23/83/703932383.db2.gz BVERDNRSPOMPBP-CVEARBPZSA-N 2 0 346.475 1.511 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001004206575 703964525 /nfs/dbraw/zinc/96/45/25/703964525.db2.gz FDXHWSAPYUYVFR-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)nn1C ZINC000995555156 703974106 /nfs/dbraw/zinc/97/41/06/703974106.db2.gz YOJKTMHQPHTEDP-HOTGVXAUSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555497 703975466 /nfs/dbraw/zinc/97/54/66/703975466.db2.gz ZJAMWONSOFRLQH-IAGOWNOFSA-N 2 0 330.476 1.811 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033068796 704080196 /nfs/dbraw/zinc/08/01/96/704080196.db2.gz DDUKRMANXWVUPR-ROUUACIJSA-N 2 0 347.507 1.368 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001033093141 704169956 /nfs/dbraw/zinc/16/99/56/704169956.db2.gz WRVDDKKMENKOJT-ATZDWAIDSA-N 2 0 345.487 1.552 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)ncn2)C1 ZINC000999301948 706805239 /nfs/dbraw/zinc/80/52/39/706805239.db2.gz FBFDZDNKIDFZQC-AEFFLSMTSA-N 2 0 345.491 1.740 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](NCc2ncc(C)o2)C1 ZINC000999303044 706806829 /nfs/dbraw/zinc/80/68/29/706806829.db2.gz HJJMTTUZQDFQLZ-HOTGVXAUSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309775 706812561 /nfs/dbraw/zinc/81/25/61/706812561.db2.gz VWHIMKRMRKCBSG-SJLPKXTDSA-N 2 0 347.507 1.684 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004457479 704450889 /nfs/dbraw/zinc/45/08/89/704450889.db2.gz LDJHKONDCZCWMG-MSOLQXFVSA-N 2 0 337.508 1.556 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004461238 704455102 /nfs/dbraw/zinc/45/51/02/704455102.db2.gz ZKWWPSLFUSSGNQ-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785208 704689365 /nfs/dbraw/zinc/68/93/65/704689365.db2.gz UUFWVKYQJNEFHZ-KRWDZBQOSA-N 2 0 345.491 1.090 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997783566 704693793 /nfs/dbraw/zinc/69/37/93/704693793.db2.gz HNUGUWQROIEVRS-QGZVFWFLSA-N 2 0 348.516 1.813 20 0 EDADRP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CC(N)=O)CC1 ZINC000997800839 704707768 /nfs/dbraw/zinc/70/77/68/704707768.db2.gz VZZAYKIGSPSICM-AWEZNQCLSA-N 2 0 346.475 1.064 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)C1CC1 ZINC000997830718 704750937 /nfs/dbraw/zinc/75/09/37/704750937.db2.gz MYUULZMDDPHZLL-SFHVURJKSA-N 2 0 348.466 1.889 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nccnc2C)CC1)[NH+](C)C ZINC000997857205 704769776 /nfs/dbraw/zinc/76/97/76/704769776.db2.gz YDKSKZRPPIXDDZ-QGZVFWFLSA-N 2 0 333.480 1.453 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997862154 704769828 /nfs/dbraw/zinc/76/98/28/704769828.db2.gz UBYGWDRFPGVHCV-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000997864566 704771456 /nfs/dbraw/zinc/77/14/56/704771456.db2.gz KNZHHPINKAXHLJ-KRWDZBQOSA-N 2 0 345.491 1.598 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997889021 704791052 /nfs/dbraw/zinc/79/10/52/704791052.db2.gz QBQKAFMRPCYBNZ-UHFFFAOYSA-N 2 0 340.387 1.359 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1)C12CCC[NH+]1CCC2 ZINC000997889479 704791641 /nfs/dbraw/zinc/79/16/41/704791641.db2.gz XFTHMWMAPYGLNI-KRWDZBQOSA-N 2 0 335.492 1.480 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029621 704956605 /nfs/dbraw/zinc/95/66/05/704956605.db2.gz UYWXUWDUCISWCU-CRAIPNDOSA-N 2 0 333.476 1.835 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001032587180 705105289 /nfs/dbraw/zinc/10/52/89/705105289.db2.gz OQWBVGJNFCXWNB-VMXHOPILSA-N 2 0 349.519 1.961 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000998047132 705243026 /nfs/dbraw/zinc/24/30/26/705243026.db2.gz OJXAPHRUIHWYBH-OAHLLOKOSA-N 2 0 339.509 1.453 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000998080953 705300305 /nfs/dbraw/zinc/30/03/05/705300305.db2.gz GJPVQOOHGIHKHL-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998080874 705300436 /nfs/dbraw/zinc/30/04/36/705300436.db2.gz FFLHRNOUTCGQLP-HOCLYGCPSA-N 2 0 331.464 1.003 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998081615 705303177 /nfs/dbraw/zinc/30/31/77/705303177.db2.gz KQTBJISKEFPXNZ-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998080210 705305277 /nfs/dbraw/zinc/30/52/77/705305277.db2.gz YQBRDFZUBXQTDZ-SWLSCSKDSA-N 2 0 337.493 1.064 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998107490 705354830 /nfs/dbraw/zinc/35/48/30/705354830.db2.gz XLWPLGORDATRLX-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H](Cc1c[nH]cn1)C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998137831 705402867 /nfs/dbraw/zinc/40/28/67/705402867.db2.gz AMUFTEUFEMBYQF-GFCCVEGCSA-N 2 0 348.476 1.468 20 0 EDADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998145087 705415133 /nfs/dbraw/zinc/41/51/33/705415133.db2.gz DDJUFYRLUDEFQB-DLBZAZTESA-N 2 0 347.463 1.415 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998266751 705635170 /nfs/dbraw/zinc/63/51/70/705635170.db2.gz QJRVGINQGNPQFD-INIZCTEOSA-N 2 0 331.464 1.065 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998310732 705717097 /nfs/dbraw/zinc/71/70/97/705717097.db2.gz HJCYREUONWMGQW-UONOGXRCSA-N 2 0 333.398 1.861 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998552972 705990633 /nfs/dbraw/zinc/99/06/33/705990633.db2.gz USQDNIRRBCQXNO-MQBCKMQZSA-N 2 0 334.464 1.719 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nccn2C(F)F)C1 ZINC000998558197 705994231 /nfs/dbraw/zinc/99/42/31/705994231.db2.gz UZLLPZSRKSMXTB-BPCQOVAHSA-N 2 0 341.406 1.451 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000998779851 706220987 /nfs/dbraw/zinc/22/09/87/706220987.db2.gz HGGUIWSXRUGZSC-BDVYOWHSSA-N 2 0 348.516 1.872 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000998780600 706221875 /nfs/dbraw/zinc/22/18/75/706221875.db2.gz RGHKTRSLKWRFGY-JCYILVPMSA-N 2 0 346.475 1.712 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780588 706221990 /nfs/dbraw/zinc/22/19/90/706221990.db2.gz QVUPCVGAQBXNTH-JCYILVPMSA-N 2 0 343.475 1.206 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C4CC4)[nH]3)C2)CC[N@@H+]1C ZINC000998792216 706239083 /nfs/dbraw/zinc/23/90/83/706239083.db2.gz VZEHRNOLWORECC-GALLPEHLSA-N 2 0 346.479 1.101 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999050227 706471093 /nfs/dbraw/zinc/47/10/93/706471093.db2.gz LRIZQRFQJZSFEY-UHFFFAOYSA-N 2 0 331.464 1.128 20 0 EDADRP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[NH+]4C)CC[C@@H]3C2)cn1 ZINC000946518088 706570468 /nfs/dbraw/zinc/57/04/68/706570468.db2.gz OAFRRGDPPGCHHT-KSZLIROESA-N 2 0 345.491 1.185 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1)[NH+]1CCCCC1 ZINC000999153676 706583239 /nfs/dbraw/zinc/58/32/39/706583239.db2.gz PMLKQANXMMENFO-MRXNPFEDSA-N 2 0 348.495 1.123 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CC[C@@H]2CCCCO2)C1 ZINC000999341517 706853582 /nfs/dbraw/zinc/85/35/82/706853582.db2.gz GTWYIQQVSDYSOU-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999348259 706860108 /nfs/dbraw/zinc/86/01/08/706860108.db2.gz MYBVYNMAFBSCPQ-KRWDZBQOSA-N 2 0 347.507 1.565 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)ccn1 ZINC000999349217 706861449 /nfs/dbraw/zinc/86/14/49/706861449.db2.gz RQKXIWYVNKRDPC-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999349840 706862376 /nfs/dbraw/zinc/86/23/76/706862376.db2.gz VKRONHHYTITRNW-SJLPKXTDSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000999351263 706864178 /nfs/dbraw/zinc/86/41/78/706864178.db2.gz DUFZLBXSYCUZEM-HOTGVXAUSA-N 2 0 348.495 1.159 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999362429 706876196 /nfs/dbraw/zinc/87/61/96/706876196.db2.gz AWKMYOHXPMNEIK-DOTOQJQBSA-N 2 0 334.464 1.712 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1)C1CC1 ZINC000999366981 706880950 /nfs/dbraw/zinc/88/09/50/706880950.db2.gz CZSJYFUMAHBRPV-QAPCUYQASA-N 2 0 346.475 1.973 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)[nH]1 ZINC000999410431 706920325 /nfs/dbraw/zinc/92/03/25/706920325.db2.gz XHHULCAXLRCMOA-WLYUNCDWSA-N 2 0 348.495 1.349 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999507367 707004914 /nfs/dbraw/zinc/00/49/14/707004914.db2.gz YBWFVSDUQVPKSJ-GPANFISMSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999507997 707005510 /nfs/dbraw/zinc/00/55/10/707005510.db2.gz GNIBAKMZRRYULL-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999489716 707025785 /nfs/dbraw/zinc/02/57/85/707025785.db2.gz MBHGLUGUORYESM-ROUUACIJSA-N 2 0 349.519 1.870 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946697361 707144890 /nfs/dbraw/zinc/14/48/90/707144890.db2.gz RQNYJYJNJRCYCP-KSZLIROESA-N 2 0 335.492 1.024 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921685634 707156049 /nfs/dbraw/zinc/15/60/49/707156049.db2.gz JFFXGFQXQZVKAI-CQSZACIVSA-N 2 0 332.448 1.897 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4cnon4)C[C@H]3CC2)C1 ZINC000946779606 707244907 /nfs/dbraw/zinc/24/49/07/707244907.db2.gz QHXCLBSTELRMPB-OAGGEKHMSA-N 2 0 347.463 1.082 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nocc3C)C[C@H]2CC1)[NH+](C)C ZINC000946784283 707293834 /nfs/dbraw/zinc/29/38/34/707293834.db2.gz FTOZETFNHQFSCO-JZXOWHBKSA-N 2 0 348.491 1.994 20 0 EDADRP Cc1ncoc1CN1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001033270391 707320904 /nfs/dbraw/zinc/32/09/04/707320904.db2.gz FIAUIFMVSZNSKR-INIZCTEOSA-N 2 0 339.399 1.977 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033183179 707358980 /nfs/dbraw/zinc/35/89/80/707358980.db2.gz WUZKHWDGVCZQHA-IRXDYDNUSA-N 2 0 335.492 1.432 20 0 EDADRP Cc1nccn1CC(=O)N(C)C1CC(NCc2nnc(C(C)C)o2)C1 ZINC000999838733 707410636 /nfs/dbraw/zinc/41/06/36/707410636.db2.gz WNCZBUBFPCRPMX-UHFFFAOYSA-N 2 0 346.435 1.477 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999835501 707469109 /nfs/dbraw/zinc/46/91/09/707469109.db2.gz GLPPQGQRCUUXGK-FHERZECASA-N 2 0 332.448 1.121 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999876627 707523906 /nfs/dbraw/zinc/52/39/06/707523906.db2.gz PXSIHNFXYCVKPL-DAWZGUTISA-N 2 0 347.507 1.416 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999876775 707524697 /nfs/dbraw/zinc/52/46/97/707524697.db2.gz RYBJRFWJVBJOIY-VJFUWPCTSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999884037 707537289 /nfs/dbraw/zinc/53/72/89/707537289.db2.gz QYXRMIBWAHSUCN-INIZCTEOSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004929506 707676662 /nfs/dbraw/zinc/67/66/62/707676662.db2.gz RUNRJJKOJMHNHX-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCCC[NH+]3C)nn2)C1 ZINC000999997943 707679603 /nfs/dbraw/zinc/67/96/03/707679603.db2.gz PIJOUZRQPMXMAQ-IAGOWNOFSA-N 2 0 348.495 1.426 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033395872 707734110 /nfs/dbraw/zinc/73/41/10/707734110.db2.gz LFYKMJYRKUGNML-SFHVURJKSA-N 2 0 347.507 1.374 20 0 EDADRP CC(C)[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001004952947 707737850 /nfs/dbraw/zinc/73/78/50/707737850.db2.gz IJVSUBMBKAIURV-RDJZCZTQSA-N 2 0 335.496 1.826 20 0 EDADRP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033420489 707832124 /nfs/dbraw/zinc/83/21/24/707832124.db2.gz PWAARXVPFPBPFD-YJBOKZPZSA-N 2 0 330.476 1.765 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC[C@H]([NH2+]CC[C@H]3CCOC3)C2)C1 ZINC001000200130 707842710 /nfs/dbraw/zinc/84/27/10/707842710.db2.gz PKAAGYGHIXYGBN-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033231039 707901616 /nfs/dbraw/zinc/90/16/16/707901616.db2.gz ZSRXPKSUYNVNJB-DOTOQJQBSA-N 2 0 342.443 1.907 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033231040 707901805 /nfs/dbraw/zinc/90/18/05/707901805.db2.gz ZSRXPKSUYNVNJB-NVXWUHKLSA-N 2 0 342.443 1.907 20 0 EDADRP Cn1nc2c(c1CNC1CC[NH+](C[C@H]3CCCO3)CC1)COCC2 ZINC000921738576 707931723 /nfs/dbraw/zinc/93/17/23/707931723.db2.gz RVWMXIZMTOSSET-OAHLLOKOSA-N 2 0 334.464 1.226 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCc2ccc(F)c(F)c2)C1 ZINC001032782206 707971860 /nfs/dbraw/zinc/97/18/60/707971860.db2.gz YBMPRSUHRZGOBB-JYJNAYRXSA-N 2 0 349.425 1.744 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489044 707982847 /nfs/dbraw/zinc/98/28/47/707982847.db2.gz DLFFGADDUCWBEQ-QGZVFWFLSA-N 2 0 333.480 1.557 20 0 EDADRP C[C@@H]1CC[C@H](C[N@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001001376622 708140566 /nfs/dbraw/zinc/14/05/66/708140566.db2.gz POKXCVIMENQOQF-NVXWUHKLSA-N 2 0 333.476 1.398 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033592891 708292132 /nfs/dbraw/zinc/29/21/32/708292132.db2.gz JAIRJVIOPXJDAM-QGZVFWFLSA-N 2 0 343.471 1.694 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033595309 708298278 /nfs/dbraw/zinc/29/82/78/708298278.db2.gz RTUMYDKGSXGMBI-HZPDHXFCSA-N 2 0 348.491 1.920 20 0 EDADRP Cc1cnc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001001824448 708327172 /nfs/dbraw/zinc/32/71/72/708327172.db2.gz HIVJQQCWTUGINJ-RDTXWAMCSA-N 2 0 345.491 1.311 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033658804 708469713 /nfs/dbraw/zinc/46/97/13/708469713.db2.gz UQMSELYDKBRVEX-KRWDZBQOSA-N 2 0 333.480 1.128 20 0 EDADRP CO[C@H](C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001002125429 708640601 /nfs/dbraw/zinc/64/06/01/708640601.db2.gz KKIWPTUXHWNSFQ-ZWKOTPCHSA-N 2 0 337.508 1.581 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001005399500 708886138 /nfs/dbraw/zinc/88/61/38/708886138.db2.gz TZPPKSBGSHLGHN-RTBURBONSA-N 2 0 349.519 1.820 20 0 EDADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001002461922 708987144 /nfs/dbraw/zinc/98/71/44/708987144.db2.gz RYWLRIGCJDGBFI-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001034015174 709230963 /nfs/dbraw/zinc/23/09/63/709230963.db2.gz FITOGWPZZZTWOI-KRWDZBQOSA-N 2 0 335.492 1.432 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001005496954 709231296 /nfs/dbraw/zinc/23/12/96/709231296.db2.gz KAEJZVTVAQBUKY-HOTGVXAUSA-N 2 0 325.497 1.268 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C[C@@H]2COc3ccccc3O2)C1 ZINC001032828524 709452637 /nfs/dbraw/zinc/45/26/37/709452637.db2.gz FKONBQRODBFKDG-ARFHVFGLSA-N 2 0 345.443 1.111 20 0 EDADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC001034339484 709801631 /nfs/dbraw/zinc/80/16/31/709801631.db2.gz GZPBATQIIFUXPJ-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCCC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001034401400 709945934 /nfs/dbraw/zinc/94/59/34/709945934.db2.gz IHRBADRKWIOWGF-QAPCUYQASA-N 2 0 347.507 1.541 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC001003158283 710065975 /nfs/dbraw/zinc/06/59/75/710065975.db2.gz GARVYMZKWDQEKR-VJFUWPCTSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003161041 710070314 /nfs/dbraw/zinc/07/03/14/710070314.db2.gz RVWACGNZALLTRY-RTBURBONSA-N 2 0 345.487 1.785 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1)C12CCC[NH+]1CCC2 ZINC001003245181 710169063 /nfs/dbraw/zinc/16/90/63/710169063.db2.gz VUMCEMDXPHOJIP-LPHOPBHVSA-N 2 0 347.503 1.622 20 0 EDADRP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003333708 710257681 /nfs/dbraw/zinc/25/76/81/710257681.db2.gz SJALKBCQCVAFBS-FLRLHLSGSA-N 2 0 339.867 1.183 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC001034610675 710284939 /nfs/dbraw/zinc/28/49/39/710284939.db2.gz XXIDYGCZFMCKHC-ZOBUZTSGSA-N 2 0 331.464 1.396 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034608326 710300690 /nfs/dbraw/zinc/30/06/90/710300690.db2.gz BMQUXRIKWKJUJB-BRWVUGGUSA-N 2 0 334.439 1.832 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001034645109 710321499 /nfs/dbraw/zinc/32/14/99/710321499.db2.gz QHVMDJUICYQEHG-QBYUYEEZSA-N 2 0 347.463 1.461 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)CC[N@@H+]1C ZINC001034647530 710324097 /nfs/dbraw/zinc/32/40/97/710324097.db2.gz KEDXNBRJQIGAPX-RGCMKSIDSA-N 2 0 337.493 1.395 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034649227 710325935 /nfs/dbraw/zinc/32/59/35/710325935.db2.gz UAOYDBMGDIAFLX-NCXUSEDFSA-N 2 0 349.519 1.914 20 0 EDADRP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@H]1CCCc2nc[nH]c21 ZINC001003606458 710446674 /nfs/dbraw/zinc/44/66/74/710446674.db2.gz MJBBJIHPKNCZQC-INIZCTEOSA-N 2 0 346.475 1.979 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001003629003 710458877 /nfs/dbraw/zinc/45/88/77/710458877.db2.gz WMJHSJKQVCXKRX-ZDUSSCGKSA-N 2 0 334.464 1.856 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](CCn2cncn2)CC1)[NH+]1CCCCCC1 ZINC001003735943 710517473 /nfs/dbraw/zinc/51/74/73/710517473.db2.gz NSYORIJEKPQQDL-INIZCTEOSA-N 2 0 348.495 1.123 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)C1 ZINC001034662831 710596161 /nfs/dbraw/zinc/59/61/61/710596161.db2.gz PFRYMJQEADYQFE-YVSFHVDLSA-N 2 0 325.497 1.362 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034673470 710611233 /nfs/dbraw/zinc/61/12/33/710611233.db2.gz BEZHWQPDUHPLOV-BFYDXBDKSA-N 2 0 333.480 1.421 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034672029 710618259 /nfs/dbraw/zinc/61/82/59/710618259.db2.gz HHSFPIHNSDOMMF-BFYDXBDKSA-N 2 0 334.464 1.984 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001003892221 710835905 /nfs/dbraw/zinc/83/59/05/710835905.db2.gz IGSXWQLQFFVQGK-OAHLLOKOSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001034720967 710872205 /nfs/dbraw/zinc/87/22/05/710872205.db2.gz IITTVHKPPWDZBA-SOAMZJECSA-N 2 0 349.519 1.772 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734666 710917146 /nfs/dbraw/zinc/91/71/46/710917146.db2.gz UYMIGIBQBMXKKI-IXYNUQLISA-N 2 0 336.505 1.858 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034736712 710924466 /nfs/dbraw/zinc/92/44/66/710924466.db2.gz ALXFWMHKZYHPLB-KLHDSHLOSA-N 2 0 331.464 1.191 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034738278 710953680 /nfs/dbraw/zinc/95/36/80/710953680.db2.gz SKWVGJACNLQGAW-PWNZVWSESA-N 2 0 337.493 1.253 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001032960134 710967740 /nfs/dbraw/zinc/96/77/40/710967740.db2.gz NSVLVSMWIRUVDQ-QZTJIDSGSA-N 2 0 331.460 1.306 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)C1 ZINC001034779952 711065128 /nfs/dbraw/zinc/06/51/28/711065128.db2.gz ZAORJEMPMRGHRY-JYJNAYRXSA-N 2 0 331.464 1.335 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034795486 711113384 /nfs/dbraw/zinc/11/33/84/711113384.db2.gz JNSLQTOXCLJBCH-JYJNAYRXSA-N 2 0 348.495 1.207 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034791637 711117223 /nfs/dbraw/zinc/11/72/23/711117223.db2.gz ORXOWXGZRSFDRP-BZUAXINKSA-N 2 0 333.480 1.372 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034793654 711124637 /nfs/dbraw/zinc/12/46/37/711124637.db2.gz MVNZJKRAMWEWFD-HDJSIYSDSA-N 2 0 337.493 1.459 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003967185 711137806 /nfs/dbraw/zinc/13/78/06/711137806.db2.gz IWXKLRGFODPBAV-MRXNPFEDSA-N 2 0 330.476 1.812 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC2CCOCC2)cc1 ZINC001034810224 711170857 /nfs/dbraw/zinc/17/08/57/711170857.db2.gz ATAACBWEXKIROJ-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C(C)C)o1 ZINC001034935728 711363625 /nfs/dbraw/zinc/36/36/25/711363625.db2.gz DOFFEQLPYATXFM-NVXWUHKLSA-N 2 0 334.464 1.936 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCCF)CC1 ZINC001005742719 711365256 /nfs/dbraw/zinc/36/52/56/711365256.db2.gz TZIJICOCXGPZQS-BFHRDPOASA-N 2 0 339.455 1.132 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034957432 711429091 /nfs/dbraw/zinc/42/90/91/711429091.db2.gz UNYRUBRSWNSUQM-MRXNPFEDSA-N 2 0 333.480 1.293 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCC2)n1 ZINC001034940508 711444023 /nfs/dbraw/zinc/44/40/23/711444023.db2.gz TULFEIPVCHWWTH-MRXNPFEDSA-N 2 0 333.480 1.439 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(CC)n2)CC[N@@H+]1C ZINC001034940765 711444522 /nfs/dbraw/zinc/44/45/22/711444522.db2.gz DFIBWGLOCYWBCR-FGTMMUONSA-N 2 0 347.507 1.714 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1Cl)C2 ZINC000922391427 711456017 /nfs/dbraw/zinc/45/60/17/711456017.db2.gz WHNNPUBKJUSFKH-HGTKMLMNSA-N 2 0 326.872 1.643 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@H]1C(C)C ZINC000922394347 711460620 /nfs/dbraw/zinc/46/06/20/711460620.db2.gz VOARBEKYTLLVBZ-MLYOOKFZSA-N 2 0 345.487 1.745 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC001004149509 711563567 /nfs/dbraw/zinc/56/35/67/711563567.db2.gz KGCKQVUDJDAYLZ-KSSFIOAISA-N 2 0 349.450 1.391 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1C ZINC000922500342 711625214 /nfs/dbraw/zinc/62/52/14/711625214.db2.gz AEVDNHONAJVWGG-ZBFHGGJFSA-N 2 0 349.479 1.304 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472243 711848782 /nfs/dbraw/zinc/84/87/82/711848782.db2.gz FQUIJUKNZGSCPQ-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)C[C@H]3C)nc(C)n2)[C@H](C)C1 ZINC000557696096 306233370 /nfs/dbraw/zinc/23/33/70/306233370.db2.gz OKTDLIBVZKHAHH-HZPDHXFCSA-N 2 0 346.523 1.846 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000366636075 282129842 /nfs/dbraw/zinc/12/98/42/282129842.db2.gz MACRSGHCNLFSTK-YJBOKZPZSA-N 2 0 340.512 1.395 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCSC1 ZINC000369360621 282228927 /nfs/dbraw/zinc/22/89/27/282228927.db2.gz YALBGNFGSHCZJI-WBVHZDCISA-N 2 0 325.522 1.947 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000560583951 306275132 /nfs/dbraw/zinc/27/51/32/306275132.db2.gz DOHNZMNTJPKICX-XUWVNRHRSA-N 2 0 329.510 1.263 20 0 EDADRP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)C[C@@H](C)O1 ZINC000560598543 306275397 /nfs/dbraw/zinc/27/53/97/306275397.db2.gz UWMVFTPFWIMQMN-BRWVUGGUSA-N 2 0 325.497 1.819 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)N[C@H](C[NH3+])C2CC2)c2ccccc2)CC1 ZINC000561155662 306283059 /nfs/dbraw/zinc/28/30/59/306283059.db2.gz INWAMVRMNMAHLJ-QZTJIDSGSA-N 2 0 345.491 1.012 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000561193824 306284135 /nfs/dbraw/zinc/28/41/35/306284135.db2.gz KOCMEAYSXLRHRX-KBAYOESNSA-N 2 0 346.475 1.185 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422912389 295854470 /nfs/dbraw/zinc/85/44/70/295854470.db2.gz MZLZBLNZUDZKTO-HNNXBMFYSA-N 2 0 339.505 1.698 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562839297 306310966 /nfs/dbraw/zinc/31/09/66/306310966.db2.gz LGIHTQDPEXLOQM-QWFCFKBJSA-N 3 0 347.503 1.956 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)C1 ZINC000188248212 283061422 /nfs/dbraw/zinc/06/14/22/283061422.db2.gz NEDLBZPWSHPEDJ-RLFYNMQTSA-N 2 0 325.497 1.709 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000353105871 535331656 /nfs/dbraw/zinc/33/16/56/535331656.db2.gz AEUFRHUKCMRUSY-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP C[C@H](CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000105267384 138301174 /nfs/dbraw/zinc/30/11/74/138301174.db2.gz SXFAOAGYMJGTRS-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP O=S(=O)(NC1CC1)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000120484399 138315975 /nfs/dbraw/zinc/31/59/75/138315975.db2.gz RTQUUTYSBKOESG-QGZVFWFLSA-N 2 0 346.456 1.528 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000563621125 306342595 /nfs/dbraw/zinc/34/25/95/306342595.db2.gz UAKADQMCYQHYEG-MJGOQNOKSA-N 2 0 344.503 1.621 20 0 EDADRP O=C(c1ccc2c(c1)OCO2)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000563667937 306344399 /nfs/dbraw/zinc/34/43/99/306344399.db2.gz WXVGZRCNCNGAIM-AWEZNQCLSA-N 2 0 331.416 1.173 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4CC[C@@H](C3)[NH+]4C)C2)CC1 ZINC000369849574 283261500 /nfs/dbraw/zinc/26/15/00/283261500.db2.gz AXZDIRLOAOWKRL-JZXOWHBKSA-N 2 0 349.523 1.033 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000564326354 306358455 /nfs/dbraw/zinc/35/84/55/306358455.db2.gz LCGZTSMAWZMEKB-KZNAEPCWSA-N 2 0 328.460 1.504 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000564336424 306359112 /nfs/dbraw/zinc/35/91/12/306359112.db2.gz YMQYGETZLIOUFU-WMLDXEAASA-N 2 0 345.491 1.939 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000414176167 304104258 /nfs/dbraw/zinc/10/42/58/304104258.db2.gz HETNHFUHEKYGLA-FGTMMUONSA-N 2 0 337.508 1.330 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC3=CC[NH2+]CC3)CC2)c1 ZINC000565822769 306392266 /nfs/dbraw/zinc/39/22/66/306392266.db2.gz TVKDECNYILSCRE-UHFFFAOYSA-N 2 0 345.447 1.232 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)c1 ZINC000565892952 306394197 /nfs/dbraw/zinc/39/41/97/306394197.db2.gz ZLLRCZOQIJOFKA-ZDUSSCGKSA-N 2 0 333.457 1.904 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000414712859 304131678 /nfs/dbraw/zinc/13/16/78/304131678.db2.gz VKZJEIBKDZSUAN-GJZGRUSLSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414713620 304131686 /nfs/dbraw/zinc/13/16/86/304131686.db2.gz VZBZGUZMHHYQBY-CQSZACIVSA-N 2 0 344.459 1.119 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000414728752 304133581 /nfs/dbraw/zinc/13/35/81/304133581.db2.gz OXJGOJHQHYLADW-JKSUJKDBSA-N 2 0 345.491 1.996 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414810234 304143827 /nfs/dbraw/zinc/14/38/27/304143827.db2.gz VBICIGDATKQBKE-NOLJZWGESA-N 2 0 333.432 1.907 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000566892154 306431875 /nfs/dbraw/zinc/43/18/75/306431875.db2.gz ZKKNSDCHUXFALE-ROUUACIJSA-N 2 0 344.503 1.622 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000415139067 304163409 /nfs/dbraw/zinc/16/34/09/304163409.db2.gz HXXIWCBJRPOGEB-DVOMOZLQSA-N 2 0 330.432 1.340 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236713058 139029340 /nfs/dbraw/zinc/02/93/40/139029340.db2.gz SEKKMJSIDIHOGJ-MRXNPFEDSA-N 2 0 327.538 1.956 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000236778935 139031111 /nfs/dbraw/zinc/03/11/11/139031111.db2.gz GBOIZOWTGZTESX-LJQANCHMSA-N 2 0 346.519 1.958 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000236906783 139034790 /nfs/dbraw/zinc/03/47/90/139034790.db2.gz MCUXPYRNKBNNHD-SFHVURJKSA-N 2 0 333.476 1.913 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000236978563 139036988 /nfs/dbraw/zinc/03/69/88/139036988.db2.gz YHFBXCSBOGSSJW-QGZVFWFLSA-N 2 0 331.460 1.633 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000236943322 139035842 /nfs/dbraw/zinc/03/58/42/139035842.db2.gz RUNDMIJYCSOILW-GOSISDBHSA-N 2 0 332.492 1.751 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237215340 139044675 /nfs/dbraw/zinc/04/46/75/139044675.db2.gz AJVXXFKTLVTFOA-GOSISDBHSA-N 2 0 330.476 1.192 20 0 EDADRP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000237305156 139047366 /nfs/dbraw/zinc/04/73/66/139047366.db2.gz GHFXQTWIFPDMBI-RYQLBKOJSA-N 2 0 331.460 1.946 20 0 EDADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000237551954 139053783 /nfs/dbraw/zinc/05/37/83/139053783.db2.gz VVOGLQVVXFQKOU-IBGZPJMESA-N 2 0 330.476 1.315 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605136 139055383 /nfs/dbraw/zinc/05/53/83/139055383.db2.gz JRKNGZRJVYDUEU-IYBDPMFKSA-N 2 0 337.508 1.724 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000111819008 220198147 /nfs/dbraw/zinc/19/81/47/220198147.db2.gz BIEWNOXUFNMPKQ-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+][C@H](C(=O)NCc1cccnc1N1CCOCC1)c1ccccc1 ZINC000238024317 139066873 /nfs/dbraw/zinc/06/68/73/139066873.db2.gz REBUCFKXGVXYOR-INIZCTEOSA-N 2 0 326.400 1.234 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000111856796 220210364 /nfs/dbraw/zinc/21/03/64/220210364.db2.gz UTFHJPQOJCYHFU-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000245438106 139074587 /nfs/dbraw/zinc/07/45/87/139074587.db2.gz XMGCHXNFXLZVEX-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP CO[C@H](C)c1noc(CN2CCCC[C@@H]([NH+]3CCN(C)CC3)C2)n1 ZINC000245636458 139081553 /nfs/dbraw/zinc/08/15/53/139081553.db2.gz RNHRQGQGVIYABU-HUUCEWRRSA-N 2 0 337.468 1.379 20 0 EDADRP Cc1oc2ccccc2c1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567710742 306460200 /nfs/dbraw/zinc/46/02/00/306460200.db2.gz QVTPNVXEIJKYBJ-MRXNPFEDSA-N 2 0 331.460 1.482 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000415289647 304186908 /nfs/dbraw/zinc/18/69/08/304186908.db2.gz AEJOBOSLALFJLJ-OAHLLOKOSA-N 2 0 330.432 1.171 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000246426122 139107934 /nfs/dbraw/zinc/10/79/34/139107934.db2.gz AUWUSACXYIHERJ-RHSMWYFYSA-N 2 0 328.501 1.109 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NC2CCCC2)[C@@H](C)C1 ZINC000246575792 139113594 /nfs/dbraw/zinc/11/35/94/139113594.db2.gz YHGLLEYRHSJRDA-DOTOQJQBSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246656731 139116579 /nfs/dbraw/zinc/11/65/79/139116579.db2.gz UDQHKTZUWKCKNN-NVXWUHKLSA-N 2 0 328.501 1.253 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246802811 139122206 /nfs/dbraw/zinc/12/22/06/139122206.db2.gz MWTVKQCFBUEGPR-VDZJLULYSA-N 2 0 338.492 1.492 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000246884902 139125562 /nfs/dbraw/zinc/12/55/62/139125562.db2.gz GHELCAMLYIRIGX-NPYXIHBLSA-N 2 0 338.496 1.412 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)c1)C1CC1 ZINC000415349798 304200813 /nfs/dbraw/zinc/20/08/13/304200813.db2.gz DRMWERPCIWSISQ-HNNXBMFYSA-N 2 0 344.459 1.069 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@@H]1CCOC1 ZINC000247136321 139137143 /nfs/dbraw/zinc/13/71/43/139137143.db2.gz AWHPUKFOJFCJOO-KFKAGJAMSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415355474 304202174 /nfs/dbraw/zinc/20/21/74/304202174.db2.gz UADIVPGPRLZJBB-HNNXBMFYSA-N 2 0 344.459 1.084 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000247505896 139150772 /nfs/dbraw/zinc/15/07/72/139150772.db2.gz ONPVKBZVDLDDML-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CCCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)[C@H]1CC[NH2+]C1 ZINC000415397490 304213340 /nfs/dbraw/zinc/21/33/40/304213340.db2.gz VRRNZLFBSNOARX-KRWDZBQOSA-N 2 0 346.475 1.596 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000261601415 139209692 /nfs/dbraw/zinc/20/96/92/139209692.db2.gz BIUANUAUZCBIND-UHFFFAOYSA-N 2 0 329.444 1.474 20 0 EDADRP Cc1ccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)n2c1 ZINC000261602668 139209976 /nfs/dbraw/zinc/20/99/76/139209976.db2.gz BVKJDMHQJGWEPS-KRWDZBQOSA-N 2 0 326.444 1.967 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)N1CCc2sccc2C1 ZINC000261608449 139210426 /nfs/dbraw/zinc/21/04/26/139210426.db2.gz AXDGQTNFTQRPPJ-LRDDRELGSA-N 2 0 337.489 1.365 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000261677201 139216677 /nfs/dbraw/zinc/21/66/77/139216677.db2.gz HBIGUWOVMOYHHJ-NSHDSACASA-N 2 0 329.379 1.524 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c2ccccc2n1 ZINC000261716871 139220048 /nfs/dbraw/zinc/22/00/48/139220048.db2.gz QGTNVLSVYKZAFH-HNNXBMFYSA-N 2 0 326.444 1.830 20 0 EDADRP [NH3+][C@@H](C(=O)NCCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000261829840 139229745 /nfs/dbraw/zinc/22/97/45/139229745.db2.gz IEFIKZLVRJOHFZ-GOSISDBHSA-N 2 0 331.460 1.305 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261831633 139229953 /nfs/dbraw/zinc/22/99/53/139229953.db2.gz QAMRBLQDVDGYBH-OALUTQOASA-N 2 0 345.487 1.911 20 0 EDADRP C[C@]1(C[NH3+])CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000261918097 139236903 /nfs/dbraw/zinc/23/69/03/139236903.db2.gz YIPPBSUWXZDZMK-LJQANCHMSA-N 2 0 345.487 1.522 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000413816785 250822836 /nfs/dbraw/zinc/82/28/36/250822836.db2.gz JWXZOPSEUKBRMY-OAHLLOKOSA-N 2 0 334.464 1.980 20 0 EDADRP O=C(CC[N@@H+](Cc1cccc(F)c1)C[C@H]1CCCO1)N1CC[NH2+]CC1 ZINC000262009790 139243714 /nfs/dbraw/zinc/24/37/14/139243714.db2.gz FJDZZFHWTVBZEY-GOSISDBHSA-N 2 0 349.450 1.629 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CCCCCC1 ZINC000262111364 139251885 /nfs/dbraw/zinc/25/18/85/139251885.db2.gz FKQWFPDKLWJHHN-UHFFFAOYSA-N 2 0 347.507 1.733 20 0 EDADRP C[N@H+](CCOc1cccc(Cl)c1)CCC(=O)N1CC[NH2+]CC1 ZINC000262122509 139252747 /nfs/dbraw/zinc/25/27/47/139252747.db2.gz NJOYIEJORFNPOF-UHFFFAOYSA-N 2 0 325.840 1.473 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262230717 139261997 /nfs/dbraw/zinc/26/19/97/139261997.db2.gz VJLQYRDAWOOGGO-MRXNPFEDSA-N 2 0 344.459 1.159 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000416010779 251046015 /nfs/dbraw/zinc/04/60/15/251046015.db2.gz ORDCHMVNVUBMJU-AWEZNQCLSA-N 2 0 332.448 1.912 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)C(F)(F)F ZINC000416011802 251046134 /nfs/dbraw/zinc/04/61/34/251046134.db2.gz SAJNLMFQGAGVGC-CHWSQXEVSA-N 2 0 336.402 1.830 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000415572957 304228786 /nfs/dbraw/zinc/22/87/86/304228786.db2.gz VAJSKTBOBAITJB-ZFWWWQNUSA-N 2 0 332.448 1.191 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000417007527 251129097 /nfs/dbraw/zinc/12/90/97/251129097.db2.gz LAMXMBHNBYNWRY-ZWKOTPCHSA-N 2 0 332.492 1.976 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417019003 251135033 /nfs/dbraw/zinc/13/50/33/251135033.db2.gz KTKKVACPOFJWCC-MRXNPFEDSA-N 2 0 333.480 1.235 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000417175050 251144353 /nfs/dbraw/zinc/14/43/53/251144353.db2.gz ANJPXBRFBSPOPZ-QAPCUYQASA-N 2 0 332.492 1.928 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccco1 ZINC000417314095 251156388 /nfs/dbraw/zinc/15/63/88/251156388.db2.gz QOUVUNRBHHEAOQ-NWDGAFQWSA-N 2 0 332.395 1.944 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1C[NH2+]C[C@H]1O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262344893 139271745 /nfs/dbraw/zinc/27/17/45/139271745.db2.gz TZWQNDRVEXTTFI-AYOQOUSVSA-N 2 0 345.487 1.026 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417573699 251191903 /nfs/dbraw/zinc/19/19/03/251191903.db2.gz XPIIASUQSRYBMT-YOEHRIQHSA-N 2 0 334.464 1.616 20 0 EDADRP COCC1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262383868 139274953 /nfs/dbraw/zinc/27/49/53/139274953.db2.gz OKAJFBXNSRPUMU-INIZCTEOSA-N 2 0 345.487 1.566 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417566771 251190114 /nfs/dbraw/zinc/19/01/14/251190114.db2.gz MZHCIRLFJUSOTD-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)ccc1F ZINC000417665349 251219897 /nfs/dbraw/zinc/21/98/97/251219897.db2.gz YMGMGTBYGKKSSL-ZDUSSCGKSA-N 2 0 332.370 1.669 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH2+]C)C2)[C@@H](C)C1 ZINC000417672328 251223185 /nfs/dbraw/zinc/22/31/85/251223185.db2.gz SNVTZDJLMTWSOO-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)NCCCN1CC[NH2+]CC1 ZINC000417716903 251239268 /nfs/dbraw/zinc/23/92/68/251239268.db2.gz UQMORUKSDMFKGY-UHFFFAOYSA-N 2 0 339.528 1.237 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417752078 251255497 /nfs/dbraw/zinc/25/54/97/251255497.db2.gz LVHCHSJCJLGURI-QGZVFWFLSA-N 2 0 334.464 1.141 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417826203 251286091 /nfs/dbraw/zinc/28/60/91/251286091.db2.gz BUNGGPZKMZAMHO-JKSUJKDBSA-N 2 0 346.475 1.427 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417825768 251287181 /nfs/dbraw/zinc/28/71/81/251287181.db2.gz NMCWUKIECBIEQT-OLMNPRSZSA-N 2 0 330.476 1.934 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418077828 251320280 /nfs/dbraw/zinc/32/02/80/251320280.db2.gz UUPRWVODMCOXBX-IRXDYDNUSA-N 2 0 334.464 1.314 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418106376 251322240 /nfs/dbraw/zinc/32/22/40/251322240.db2.gz MZQODAOQUZRBFE-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418112213 251327149 /nfs/dbraw/zinc/32/71/49/251327149.db2.gz IADUGTFBVKZCPC-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C1 ZINC000418423276 251366989 /nfs/dbraw/zinc/36/69/89/251366989.db2.gz FEDGOQXYNJJUOU-HOTGVXAUSA-N 2 0 328.501 1.502 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000418138613 251341658 /nfs/dbraw/zinc/34/16/58/251341658.db2.gz JJKJTJURKLUGGE-QZTJIDSGSA-N 2 0 330.476 1.934 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000418152973 251345969 /nfs/dbraw/zinc/34/59/69/251345969.db2.gz UKRMDKZBAIIVGY-ZWKOTPCHSA-N 2 0 346.475 1.266 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H](C)C2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000262526670 139284284 /nfs/dbraw/zinc/28/42/84/139284284.db2.gz LLGBGPPIEHXWBQ-KDOFPFPSSA-N 2 0 331.460 1.804 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418159258 251348495 /nfs/dbraw/zinc/34/84/95/251348495.db2.gz DCRQPRNSVXAGAB-HNNXBMFYSA-N 2 0 334.464 1.696 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[NH2+]C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000418384813 251363588 /nfs/dbraw/zinc/36/35/88/251363588.db2.gz PBRSQGCOPNUEIJ-GFCCVEGCSA-N 2 0 336.402 1.797 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418715007 251393963 /nfs/dbraw/zinc/39/39/63/251393963.db2.gz QQSUUYIYFDHLNM-CYBMUJFWSA-N 2 0 332.395 1.725 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418719201 251396451 /nfs/dbraw/zinc/39/64/51/251396451.db2.gz USURHQOVXJWCKO-CQSZACIVSA-N 2 0 346.397 1.881 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C[NH3+])C3CCCC3)CC2)c1 ZINC000418625620 251380978 /nfs/dbraw/zinc/38/09/78/251380978.db2.gz QTVKYNCIMNRRGY-MRXNPFEDSA-N 2 0 347.463 1.439 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000418677268 251384093 /nfs/dbraw/zinc/38/40/93/251384093.db2.gz UPRFMYFFVKWVPY-FVQHAEBGSA-N 2 0 332.423 1.261 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1C[NH2+]CCCO1 ZINC000569558208 306510499 /nfs/dbraw/zinc/51/04/99/306510499.db2.gz UTYJLBVQPGAYLJ-SFHVURJKSA-N 2 0 346.475 1.460 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262712409 139298156 /nfs/dbraw/zinc/29/81/56/139298156.db2.gz FSTCUJIBWOBABH-PMPSAXMXSA-N 2 0 333.480 1.658 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420327137 251673977 /nfs/dbraw/zinc/67/39/77/251673977.db2.gz DCRRRNXTXZOUDB-UHFFFAOYSA-N 2 0 345.443 1.512 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000415590265 304234311 /nfs/dbraw/zinc/23/43/11/304234311.db2.gz ZXUFYRFPECCMJI-XIRDDKMYSA-N 2 0 344.459 1.273 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262794559 139304039 /nfs/dbraw/zinc/30/40/39/139304039.db2.gz NHHFDBCODKAWLH-HNNXBMFYSA-N 2 0 334.464 1.379 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262809936 139305322 /nfs/dbraw/zinc/30/53/22/139305322.db2.gz UCCWGFRTVRENCI-HQSKLWIPSA-N 2 0 331.460 1.662 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)Cc2ccccc2)CC[NH2+]CC1 ZINC000422747461 251965131 /nfs/dbraw/zinc/96/51/31/251965131.db2.gz YTFIRLSKDHZPKW-NVXWUHKLSA-N 2 0 334.460 1.501 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422776132 251974708 /nfs/dbraw/zinc/97/47/08/251974708.db2.gz DCAAIKLNXHGNAD-ROUUACIJSA-N 2 0 334.508 1.541 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422851522 252000536 /nfs/dbraw/zinc/00/05/36/252000536.db2.gz WXBUPEXVYKJREQ-PKOBYXMFSA-N 3 0 331.508 1.571 20 0 EDADRP C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCC[NH2+]1 ZINC000423063285 252032395 /nfs/dbraw/zinc/03/23/95/252032395.db2.gz ONZRPCCIVSUUPG-LSDHHAIUSA-N 2 0 336.480 1.751 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000423071253 252033990 /nfs/dbraw/zinc/03/39/90/252033990.db2.gz DYVPWNAQXLOUIS-WMLDXEAASA-N 2 0 340.489 1.584 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)O1 ZINC000423737148 252068266 /nfs/dbraw/zinc/06/82/66/252068266.db2.gz CQXFANMHQGWMRC-MOPGFXCFSA-N 2 0 345.487 1.660 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990776 252021780 /nfs/dbraw/zinc/02/17/80/252021780.db2.gz NYRVRERDLCFERP-XJKSGUPXSA-N 2 0 338.423 1.770 20 0 EDADRP Cc1cnn(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424022837 252117466 /nfs/dbraw/zinc/11/74/66/252117466.db2.gz VBJGHHXTGYQEQC-UHFFFAOYSA-N 2 0 341.459 1.301 20 0 EDADRP COC(=O)C[C@@H](C)N1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000423789133 252074427 /nfs/dbraw/zinc/07/44/27/252074427.db2.gz SQWSMIWYZVNIDK-RHSMWYFYSA-N 2 0 333.432 1.091 20 0 EDADRP COC[C@]1(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCC[NH2+]1 ZINC000424181471 252155084 /nfs/dbraw/zinc/15/50/84/252155084.db2.gz XOMRFEWKQWPXHX-SJLPKXTDSA-N 2 0 325.497 1.949 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C[C@@H]1C ZINC000424137936 252138458 /nfs/dbraw/zinc/13/84/58/252138458.db2.gz COLMTKYJBJOWPM-SOUVJXGZSA-N 2 0 334.468 1.147 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000424440285 252231669 /nfs/dbraw/zinc/23/16/69/252231669.db2.gz UFUUZNRHWCGDKX-HNNXBMFYSA-N 2 0 347.463 1.163 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000415618427 304240268 /nfs/dbraw/zinc/24/02/68/304240268.db2.gz RIHZHDYIRQGKQJ-BBRMVZONSA-N 2 0 332.448 1.109 20 0 EDADRP COC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000166380549 532972107 /nfs/dbraw/zinc/97/21/07/532972107.db2.gz LOISEVOQKJMAQQ-GOSISDBHSA-N 2 0 345.487 1.436 20 0 EDADRP C[C@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@@H]1CCC[NH2+]C1 ZINC000263066608 139320644 /nfs/dbraw/zinc/32/06/44/139320644.db2.gz YZGZZFAXVZKXCW-ZIAGYGMSSA-N 2 0 332.448 1.339 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000370958133 285019754 /nfs/dbraw/zinc/01/97/54/285019754.db2.gz ZLLGTTPCUYVHCR-GOSISDBHSA-N 2 0 345.487 1.313 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000363558065 296389508 /nfs/dbraw/zinc/38/95/08/296389508.db2.gz ORAAMDWQNYIUDH-XMTFNYHQSA-N 2 0 334.508 1.844 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000248796956 285205142 /nfs/dbraw/zinc/20/51/42/285205142.db2.gz YVDFMPPDWYDYMD-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049475 285246291 /nfs/dbraw/zinc/24/62/91/285246291.db2.gz WDADPNREBYUBAA-OAHLLOKOSA-N 2 0 334.468 1.665 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NCc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000491686056 255141309 /nfs/dbraw/zinc/14/13/09/255141309.db2.gz OUFDESUTUGCSTK-JMQWPVDRSA-N 2 0 344.459 1.477 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000492370582 255173996 /nfs/dbraw/zinc/17/39/96/255173996.db2.gz XXTMRHPHFPEVLS-WAYWQWQTSA-N 2 0 345.487 1.938 20 0 EDADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000494556603 255253746 /nfs/dbraw/zinc/25/37/46/255253746.db2.gz XEZDWNNVWQBJSC-UYSNPLJNSA-N 2 0 341.496 1.869 20 0 EDADRP C[C@H]([NH2+]C1CC[NH2+]CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496051899 255346961 /nfs/dbraw/zinc/34/69/61/255346961.db2.gz WEWZBOWXVNRWRD-MAUKXSAKSA-N 2 0 347.459 1.754 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000415799233 304273975 /nfs/dbraw/zinc/27/39/75/304273975.db2.gz DAUNGVYRQNVBOK-QLFBSQMISA-N 2 0 346.475 1.709 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CSC1(C)C ZINC000338807711 285278390 /nfs/dbraw/zinc/27/83/90/285278390.db2.gz BPNLUNBYUSGJEP-LSDHHAIUSA-N 2 0 342.553 1.938 20 0 EDADRP CC1CC[NH+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000263905983 139368818 /nfs/dbraw/zinc/36/88/18/139368818.db2.gz RUSSVZGBYHPEJH-UHFFFAOYSA-N 2 0 329.444 1.994 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000415908861 304284724 /nfs/dbraw/zinc/28/47/24/304284724.db2.gz RFBHTAINWRUWBI-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000183311773 533571061 /nfs/dbraw/zinc/57/10/61/533571061.db2.gz MOUWKOIQKYWYNT-MRXNPFEDSA-N 2 0 349.475 1.527 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000270848701 140182356 /nfs/dbraw/zinc/18/23/56/140182356.db2.gz LPBBEMBSUMOUOY-OKZBNKHCSA-N 2 0 331.460 1.080 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000333090347 141262065 /nfs/dbraw/zinc/26/20/65/141262065.db2.gz AVTHWSNXGLQMBZ-UHFFFAOYSA-N 2 0 345.491 1.963 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)ccc21 ZINC000333180534 141276732 /nfs/dbraw/zinc/27/67/32/141276732.db2.gz RULKLTNOBFEXMA-CRAIPNDOSA-N 2 0 329.448 1.687 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000333260482 141288985 /nfs/dbraw/zinc/28/89/85/141288985.db2.gz DUISDPICGNUIGM-KBPBESRZSA-N 2 0 332.448 1.251 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000333364715 141306022 /nfs/dbraw/zinc/30/60/22/141306022.db2.gz LRFMNFPYYUIFCA-UHFFFAOYSA-N 2 0 338.496 1.592 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC[N@@H+]1C ZINC000333387123 141309993 /nfs/dbraw/zinc/30/99/93/141309993.db2.gz WXYUTMXNRVTANK-IVMMDQJWSA-N 2 0 331.464 1.844 20 0 EDADRP Cc1cc(C)c(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cn1 ZINC000333642217 141349381 /nfs/dbraw/zinc/34/93/81/141349381.db2.gz IYYZTFKRWIRSQZ-KRWDZBQOSA-N 2 0 346.475 1.952 20 0 EDADRP C[C@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333701020 141361280 /nfs/dbraw/zinc/36/12/80/141361280.db2.gz QUYTXKNXMLGDET-PMPSAXMXSA-N 2 0 338.496 1.269 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccs1 ZINC000416445561 304319185 /nfs/dbraw/zinc/31/91/85/304319185.db2.gz MFFROMMHGHNPIH-CHWSQXEVSA-N 2 0 326.466 1.110 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000339618202 142096255 /nfs/dbraw/zinc/09/62/55/142096255.db2.gz TUKBYMPUTDRBPZ-PVAVHDDUSA-N 2 0 346.475 1.004 20 0 EDADRP C[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H](C)[NH+]1C ZINC000339623439 142098170 /nfs/dbraw/zinc/09/81/70/142098170.db2.gz ZGBZJVJCOJVYAU-JFIYKMOQSA-N 2 0 332.492 1.430 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339753756 142145671 /nfs/dbraw/zinc/14/56/71/142145671.db2.gz NVGXWWIDOWVHGZ-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000345516936 143100850 /nfs/dbraw/zinc/10/08/50/143100850.db2.gz AYHIDSJBPDDLIZ-INIZCTEOSA-N 2 0 347.507 1.684 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](C(C)C)CC2)[N@H+](C)C1 ZINC000345859656 143140453 /nfs/dbraw/zinc/14/04/53/143140453.db2.gz DNQKYAZUSSGHJL-JKSUJKDBSA-N 2 0 326.485 1.220 20 0 EDADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000346378136 143198425 /nfs/dbraw/zinc/19/84/25/143198425.db2.gz KUQGLPCWLXTOMB-IEBWSBKVSA-N 2 0 349.519 1.964 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)CC1 ZINC000346816269 143248369 /nfs/dbraw/zinc/24/83/69/143248369.db2.gz CZZDNNUIRGSMDT-QXAKKESOSA-N 3 0 328.504 1.998 20 0 EDADRP C[C@H]1CCc2nc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)sc2C1 ZINC000347111486 143284005 /nfs/dbraw/zinc/28/40/05/143284005.db2.gz QOJYSBLETRNJRA-QWHCGFSZSA-N 2 0 336.505 1.555 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)C1(C)C ZINC000347176533 143291274 /nfs/dbraw/zinc/29/12/74/143291274.db2.gz WHINKTAWIVAVPN-OWCLPIDISA-N 2 0 327.513 1.872 20 0 EDADRP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347179185 143291601 /nfs/dbraw/zinc/29/16/01/143291601.db2.gz SYFAUDWLZZESHZ-QGZVFWFLSA-N 2 0 344.459 1.289 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)C1 ZINC000348000603 143389774 /nfs/dbraw/zinc/38/97/74/143389774.db2.gz XSDVMSXLAPEZEZ-IAGOWNOFSA-N 2 0 334.508 1.844 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000572825047 306599735 /nfs/dbraw/zinc/59/97/35/306599735.db2.gz JZYRVEOMFBWFEA-DOTOQJQBSA-N 2 0 346.475 1.370 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000416841489 304350715 /nfs/dbraw/zinc/35/07/15/304350715.db2.gz MBJPCECDDABSLP-RYQLBKOJSA-N 2 0 332.492 1.928 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000417666493 286060664 /nfs/dbraw/zinc/06/06/64/286060664.db2.gz CXSHVESZJKBTPR-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP Cc1ccc2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cc(=O)n2c1 ZINC000352768941 149157250 /nfs/dbraw/zinc/15/72/50/149157250.db2.gz KUDMXAYHRXQZGC-UHFFFAOYSA-N 2 0 343.475 1.072 20 0 EDADRP CC[N@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C(C)C ZINC000353097786 149284467 /nfs/dbraw/zinc/28/44/67/149284467.db2.gz OKBWKASXASCIJJ-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000573548671 306623642 /nfs/dbraw/zinc/62/36/42/306623642.db2.gz QTFCPCWWBIUECN-UHFFFAOYSA-N 2 0 348.495 1.021 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)c3cc4ccccn4c3)C2)CC1 ZINC000369928600 155238277 /nfs/dbraw/zinc/23/82/77/155238277.db2.gz QZAWFEMEGQARCS-INIZCTEOSA-N 2 0 326.444 1.838 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416970728 304357453 /nfs/dbraw/zinc/35/74/53/304357453.db2.gz NZOFPCISHZYUTK-SJORKVTESA-N 2 0 346.475 1.663 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416970642 304357459 /nfs/dbraw/zinc/35/74/59/304357459.db2.gz FQMIOBWUFNJLIY-UHFFFAOYSA-N 2 0 331.464 1.487 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000416972721 304358288 /nfs/dbraw/zinc/35/82/88/304358288.db2.gz SQWNFZYXLARARO-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000355039596 150087557 /nfs/dbraw/zinc/08/75/57/150087557.db2.gz AYVXUSYJNJXSMV-SZMVWBNQSA-N 2 0 333.476 1.810 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000355712503 150369984 /nfs/dbraw/zinc/36/99/84/150369984.db2.gz WLLCMCWVRYMYDD-MRXNPFEDSA-N 2 0 346.475 1.663 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)CC[NH3+])CC2)c1 ZINC000417051900 304367055 /nfs/dbraw/zinc/36/70/55/304367055.db2.gz OPJDMLZJTXNYGA-UHFFFAOYSA-N 2 0 333.480 1.107 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CC[NH2+]1 ZINC000357384486 151014533 /nfs/dbraw/zinc/01/45/33/151014533.db2.gz VWLBKTNOOGBUHU-AWEZNQCLSA-N 2 0 329.366 1.958 20 0 EDADRP CSC1(CNC(=O)NCC[NH+]2CCC(C)CC2)CC[NH+](C)CC1 ZINC000357608504 151083697 /nfs/dbraw/zinc/08/36/97/151083697.db2.gz MSQPQPYVGGVPLA-UHFFFAOYSA-N 2 0 342.553 1.845 20 0 EDADRP CSC1(CNC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC[NH+](C)CC1 ZINC000357873531 151180073 /nfs/dbraw/zinc/18/00/73/151180073.db2.gz VAMMACGXDOZSPF-ZFWWWQNUSA-N 2 0 340.537 1.596 20 0 EDADRP C[C@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1=CC[N@H+](C)CC1 ZINC000357917703 151195421 /nfs/dbraw/zinc/19/54/21/151195421.db2.gz JYVWAJRUHPOFQJ-HNNXBMFYSA-N 2 0 343.475 1.214 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CN(C)C[C@H]2C)cc1 ZINC000358079276 151262888 /nfs/dbraw/zinc/26/28/88/151262888.db2.gz DMQYYLWKWJWNSP-PBHICJAKSA-N 2 0 339.505 1.757 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358149357 151288213 /nfs/dbraw/zinc/28/82/13/151288213.db2.gz ZAKWGBPDGASTMS-HZPDHXFCSA-N 2 0 342.528 1.593 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000358288485 151327670 /nfs/dbraw/zinc/32/76/70/151327670.db2.gz FFXUHSFJADWDRG-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000417085197 304371735 /nfs/dbraw/zinc/37/17/35/304371735.db2.gz BQZXHYNYGSTJSQ-HNNXBMFYSA-N 2 0 330.476 1.827 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359702499 151794041 /nfs/dbraw/zinc/79/40/41/151794041.db2.gz GQMZRQVSLGYOSM-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)C[C@H]1[NH+](C)C ZINC000359735031 151803717 /nfs/dbraw/zinc/80/37/17/151803717.db2.gz ZXTGVJMRRKIRAP-GDBMZVCRSA-N 2 0 349.479 1.114 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670661 152146507 /nfs/dbraw/zinc/14/65/07/152146507.db2.gz YLMAOGXBNQYCLE-WMLDXEAASA-N 2 0 340.537 1.740 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000360678075 152149678 /nfs/dbraw/zinc/14/96/78/152149678.db2.gz BUPBXLJRVXAIJT-MOPGFXCFSA-N 2 0 343.471 1.211 20 0 EDADRP CSC1(CNC(=O)N2CC[N@H+](C)C[C@H]2C(C)C)CC[NH+](C)CC1 ZINC000360688293 152153532 /nfs/dbraw/zinc/15/35/32/152153532.db2.gz CLMWJNVNTKMUBH-HNNXBMFYSA-N 2 0 342.553 1.795 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893885 152244020 /nfs/dbraw/zinc/24/40/20/152244020.db2.gz PIURCPBYQKRKKO-HOTGVXAUSA-N 2 0 342.528 1.593 20 0 EDADRP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCOCC1 ZINC000361272657 152350687 /nfs/dbraw/zinc/35/06/87/152350687.db2.gz QOJSKGJCUDBEOT-VSZNYVQBSA-N 2 0 325.497 1.186 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000361374648 152376730 /nfs/dbraw/zinc/37/67/30/152376730.db2.gz AGDWOFRAGZNIMA-QZTJIDSGSA-N 2 0 336.524 1.489 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000417158577 304379192 /nfs/dbraw/zinc/37/91/92/304379192.db2.gz BJGXQDPGCFITSI-QWHCGFSZSA-N 2 0 332.370 1.710 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000417181094 304381436 /nfs/dbraw/zinc/38/14/36/304381436.db2.gz HNMNMGXBYKJNJB-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCc4nccn4C3)cn2)CC1 ZINC000363692735 153031330 /nfs/dbraw/zinc/03/13/30/153031330.db2.gz JBGAXZXKQUUVFP-CQSZACIVSA-N 2 0 340.431 1.231 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccnc(-n2ccnc2)c1 ZINC000363725290 153040148 /nfs/dbraw/zinc/04/01/48/153040148.db2.gz NHWJIUQFYJGORE-MRXNPFEDSA-N 2 0 341.415 1.250 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)C1 ZINC000363776015 153053012 /nfs/dbraw/zinc/05/30/12/153053012.db2.gz KRLNTAMJPUZSBE-VQTJNVASSA-N 2 0 331.504 1.692 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1ccc(F)cc1 ZINC000417188435 304382440 /nfs/dbraw/zinc/38/24/40/304382440.db2.gz YRELKJRXVRPIEX-BHYGNILZSA-N 2 0 334.439 1.822 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000363984873 153114861 /nfs/dbraw/zinc/11/48/61/153114861.db2.gz VJHLSZDDIDLKHF-INIZCTEOSA-N 2 0 325.416 1.706 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@@H](c2ccc(F)cc2)[C@H]([NH3+])C1 ZINC000364302739 153200923 /nfs/dbraw/zinc/20/09/23/153200923.db2.gz KQNIUOBNYFBFSF-OKZBNKHCSA-N 2 0 327.403 1.649 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417198289 304383831 /nfs/dbraw/zinc/38/38/31/304383831.db2.gz RBWQJFIDLBRROL-CABCVRRESA-N 2 0 340.418 1.456 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417247814 304387651 /nfs/dbraw/zinc/38/76/51/304387651.db2.gz ARXQRPBFDXXVHD-ZKXLYKBJSA-N 2 0 336.524 1.994 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000367072470 154000709 /nfs/dbraw/zinc/00/07/09/154000709.db2.gz GLTYHLRHWNLWCZ-LTIDMASMSA-N 2 0 335.492 1.382 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000367181066 154031976 /nfs/dbraw/zinc/03/19/76/154031976.db2.gz WRPGEBWUUITNQO-GOSISDBHSA-N 2 0 337.508 1.901 20 0 EDADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)C1 ZINC000367274397 154063502 /nfs/dbraw/zinc/06/35/02/154063502.db2.gz MCDVLGQVKPEFOB-LSDHHAIUSA-N 2 0 338.477 1.097 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000186723928 286415084 /nfs/dbraw/zinc/41/50/84/286415084.db2.gz DPHNXADYWUUESM-APWZRJJASA-N 2 0 337.508 1.853 20 0 EDADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367670893 154223381 /nfs/dbraw/zinc/22/33/81/154223381.db2.gz HUTPWZKBCVLOSM-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000367746215 154253045 /nfs/dbraw/zinc/25/30/45/154253045.db2.gz FKWGAWQTENPWNC-KRWDZBQOSA-N 2 0 327.476 1.935 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000417302432 304391526 /nfs/dbraw/zinc/39/15/26/304391526.db2.gz BJMRVNVAPGQULF-INIZCTEOSA-N 2 0 348.495 1.150 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])C2)CC1 ZINC000574634960 306654454 /nfs/dbraw/zinc/65/44/54/306654454.db2.gz HQGFRDRTCMQKCM-ZIFCJYIRSA-N 2 0 336.524 1.521 20 0 EDADRP CCOC(=O)CCCC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000372272067 156297706 /nfs/dbraw/zinc/29/77/06/156297706.db2.gz FWWSWVFZOJEIEZ-UHFFFAOYSA-N 2 0 341.496 1.060 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000372419660 156381423 /nfs/dbraw/zinc/38/14/23/156381423.db2.gz DOLVPDNIAVOANK-BRWVUGGUSA-N 2 0 349.519 1.819 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000372431476 156386034 /nfs/dbraw/zinc/38/60/34/156386034.db2.gz NBACUQCRABHWSW-TXPKVOOTSA-N 2 0 343.427 1.534 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417547246 304404794 /nfs/dbraw/zinc/40/47/94/304404794.db2.gz ODQYGULLHVFKFY-ZDUSSCGKSA-N 2 0 348.438 1.172 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCCC3(CC[NH+](C)CC3)C2)CC1 ZINC000374151128 157167868 /nfs/dbraw/zinc/16/78/68/157167868.db2.gz KUOWHXLHCSVAHH-UHFFFAOYSA-N 2 0 336.524 1.348 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2CC[NH2+]C2(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000575774590 306671706 /nfs/dbraw/zinc/67/17/06/306671706.db2.gz HBQLKIGFOGESMY-AWEZNQCLSA-N 2 0 334.468 1.720 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@]2(N(C)C)CCOc3ccccc32)C1 ZINC000378189646 158104369 /nfs/dbraw/zinc/10/43/69/158104369.db2.gz YTQGOEWRLQCDSE-KHYOSLBOSA-N 2 0 331.460 1.812 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000378371989 158155517 /nfs/dbraw/zinc/15/55/17/158155517.db2.gz TZZMHTXJIVIWAD-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)C2)no1 ZINC000378478813 158185043 /nfs/dbraw/zinc/18/50/43/158185043.db2.gz VYVFGCVKFDPTNR-XUWVNRHRSA-N 2 0 335.496 1.915 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccon1 ZINC000352268540 162084912 /nfs/dbraw/zinc/08/49/12/162084912.db2.gz YMVZFJYUJAMWGN-CQSZACIVSA-N 2 0 325.457 1.651 20 0 EDADRP c1cc(OCCC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000352506869 162218876 /nfs/dbraw/zinc/21/88/76/162218876.db2.gz ATRFJRWGMAZRRB-HNNXBMFYSA-N 2 0 333.432 1.164 20 0 EDADRP CCCCOC[C@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000366138300 162369836 /nfs/dbraw/zinc/36/98/36/162369836.db2.gz GPZIJXAUTSIRGZ-SJLPKXTDSA-N 2 0 327.513 1.264 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000418257524 304470981 /nfs/dbraw/zinc/47/09/81/304470981.db2.gz NCPIKTOAFLXDKC-DETPVDSQSA-N 2 0 340.418 1.660 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000111454762 287337251 /nfs/dbraw/zinc/33/72/51/287337251.db2.gz LGRXQKZPQGEYCJ-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418340726 304483021 /nfs/dbraw/zinc/48/30/21/304483021.db2.gz OADYVQVOEMBCFW-KRWDZBQOSA-N 2 0 333.480 1.687 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000168096810 226208583 /nfs/dbraw/zinc/20/85/83/226208583.db2.gz OCVUJKYLVUXFPS-ROUUACIJSA-N 2 0 331.460 1.300 20 0 EDADRP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123180410 222230168 /nfs/dbraw/zinc/23/01/68/222230168.db2.gz JOPNCAUSRLGBPR-UHFFFAOYSA-N 2 0 326.485 1.522 20 0 EDADRP CCc1cccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000130521555 287494632 /nfs/dbraw/zinc/49/46/32/287494632.db2.gz MWNBCSQABNGNGV-UHFFFAOYSA-N 2 0 334.464 1.139 20 0 EDADRP CC[C@H](C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[NH+](C)C ZINC000132884967 287531366 /nfs/dbraw/zinc/53/13/66/287531366.db2.gz SQISZVSJSCZDRN-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccncc1Br ZINC000152682378 287615143 /nfs/dbraw/zinc/61/51/43/287615143.db2.gz RNMGYIZOZYRMHR-UHFFFAOYSA-N 2 0 343.269 1.410 20 0 EDADRP C[NH2+]C1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000237109009 273007805 /nfs/dbraw/zinc/00/78/05/273007805.db2.gz OWDOJUYKAKQJHI-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)C[C@H](C)O1 ZINC000237676288 273011920 /nfs/dbraw/zinc/01/19/20/273011920.db2.gz YYBOTCIXSZHYIV-GJZGRUSLSA-N 2 0 333.476 1.897 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CN3CCNCC3=O)cc2)C1 ZINC000237675721 273011962 /nfs/dbraw/zinc/01/19/62/273011962.db2.gz JNBVEKBOJNKROR-HNNXBMFYSA-N 2 0 344.459 1.289 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCC[NH2+]C1 ZINC000237986353 267934395 /nfs/dbraw/zinc/93/43/95/267934395.db2.gz DYINLLNNGDMYCJ-SFHVURJKSA-N 2 0 344.503 1.705 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274833934 268217368 /nfs/dbraw/zinc/21/73/68/268217368.db2.gz SBNJOSGRHZRMPB-QGZVFWFLSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274193822 273076472 /nfs/dbraw/zinc/07/64/72/273076472.db2.gz GJCYYZNQVRHUMX-YQVWRLOYSA-N 2 0 345.487 1.591 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cn1 ZINC000276943706 273171132 /nfs/dbraw/zinc/17/11/32/273171132.db2.gz HHFBCTMSGPFZHL-UHFFFAOYSA-N 2 0 336.480 1.366 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277511541 273202855 /nfs/dbraw/zinc/20/28/55/273202855.db2.gz QDJVFBQGJXGUHF-UKBAYJJMSA-N 2 0 345.487 1.780 20 0 EDADRP O=CN1CCC([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000278163520 273250534 /nfs/dbraw/zinc/25/05/34/273250534.db2.gz BWTKVIATDHFYDG-UHFFFAOYSA-N 2 0 330.476 1.015 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000284755767 274319793 /nfs/dbraw/zinc/31/97/93/274319793.db2.gz FUNNEBXMIOWENE-NZSAHSFTSA-N 2 0 344.503 1.117 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418640450 276107244 /nfs/dbraw/zinc/10/72/44/276107244.db2.gz MTNZOJZLQXRXQS-IRXDYDNUSA-N 2 0 330.476 1.951 20 0 EDADRP CC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418318282 276265786 /nfs/dbraw/zinc/26/57/86/276265786.db2.gz OXNNOJFOUVNPGZ-ROUUACIJSA-N 2 0 330.476 1.759 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCn3nc(CC)nc32)CC[NH2+]CC1 ZINC000422872548 276273700 /nfs/dbraw/zinc/27/37/00/276273700.db2.gz HNAGRWBOEACGHY-UONOGXRCSA-N 2 0 349.479 1.586 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C(N)=O)cc1 ZINC000128979780 276370980 /nfs/dbraw/zinc/37/09/80/276370980.db2.gz ZWYYEJPRVWNQGJ-QGZVFWFLSA-N 2 0 346.475 1.274 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC(=O)NC1(C)C)c1ccccc1 ZINC000338593591 276853195 /nfs/dbraw/zinc/85/31/95/276853195.db2.gz TXQWSZGZRVSQSP-HZPDHXFCSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000286175628 287953293 /nfs/dbraw/zinc/95/32/93/287953293.db2.gz RDSILSQYRGWZGM-MDZRGWNJSA-N 2 0 345.491 1.096 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000361519832 278076420 /nfs/dbraw/zinc/07/64/20/278076420.db2.gz QGXUCIVCYSAWAN-OAHLLOKOSA-N 2 0 332.448 1.613 20 0 EDADRP CC(C)n1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000261642090 278127340 /nfs/dbraw/zinc/12/73/40/278127340.db2.gz IOYOATRRWHVLSD-RDJZCZTQSA-N 2 0 333.480 1.544 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000341192898 278200812 /nfs/dbraw/zinc/20/08/12/278200812.db2.gz QGWLVIAZTWCGFU-SFHVURJKSA-N 2 0 349.475 1.658 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000417317101 278856190 /nfs/dbraw/zinc/85/61/90/278856190.db2.gz VNYCGIMCMKYYNZ-PKOBYXMFSA-N 2 0 330.476 1.993 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262033872 279044772 /nfs/dbraw/zinc/04/47/72/279044772.db2.gz KEDSEOGJMPCPNY-MSOLQXFVSA-N 2 0 330.476 1.186 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)c1 ZINC000415486455 279138117 /nfs/dbraw/zinc/13/81/17/279138117.db2.gz FKEHWWJXPFHNTC-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000350732830 279157246 /nfs/dbraw/zinc/15/72/46/279157246.db2.gz SZBLGPJQSZMMOU-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(C)C ZINC000341099074 279192902 /nfs/dbraw/zinc/19/29/02/279192902.db2.gz YQNMTCGVIRIVNP-INIZCTEOSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c2c1CCC2 ZINC000125586188 279303068 /nfs/dbraw/zinc/30/30/68/279303068.db2.gz FHFLKJMWNMFOED-CQSZACIVSA-N 2 0 333.480 1.387 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000339608854 279317559 /nfs/dbraw/zinc/31/75/59/279317559.db2.gz SIKHGQPIDBBLTD-DLBZAZTESA-N 2 0 346.475 1.006 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000126883898 279368327 /nfs/dbraw/zinc/36/83/27/279368327.db2.gz VQODVONWIZRTEZ-MSOLQXFVSA-N 2 0 334.508 1.099 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000418110743 288162627 /nfs/dbraw/zinc/16/26/27/288162627.db2.gz FVWIIURUOLIBGE-OAHLLOKOSA-N 2 0 346.475 1.590 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322750 280245071 /nfs/dbraw/zinc/24/50/71/280245071.db2.gz FGMIQALNZWHSOX-YESZJQIVSA-N 2 0 337.508 1.853 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287384391 288225428 /nfs/dbraw/zinc/22/54/28/288225428.db2.gz LMDDSKCALSVYCA-OAHLLOKOSA-N 2 0 341.887 1.411 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000418532286 280354054 /nfs/dbraw/zinc/35/40/54/280354054.db2.gz YSHYRXPOXOPCIF-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360748574 288302045 /nfs/dbraw/zinc/30/20/45/288302045.db2.gz WZGQYPLGMXPOOV-FMKPAKJESA-N 2 0 326.510 1.302 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000287982699 288373308 /nfs/dbraw/zinc/37/33/08/288373308.db2.gz JLBMNMQIYCZHAT-SJLPKXTDSA-N 2 0 348.491 1.263 20 0 EDADRP C[NH+](C)C1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000363230784 282050224 /nfs/dbraw/zinc/05/02/24/282050224.db2.gz LVJLMFAPBJAZGN-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000458559387 282060359 /nfs/dbraw/zinc/06/03/59/282060359.db2.gz VLMTXMXTLSSWOA-GJZGRUSLSA-N 2 0 326.485 1.004 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261929553 288852307 /nfs/dbraw/zinc/85/23/07/288852307.db2.gz ZUACKKJLQWNLPX-VZJVUDMVSA-N 2 0 340.265 1.880 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000290227258 288861754 /nfs/dbraw/zinc/86/17/54/288861754.db2.gz RKQVEAUDEAPTKV-RBUKOAKNSA-N 2 0 347.503 1.920 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1 ZINC000177723349 289054855 /nfs/dbraw/zinc/05/48/55/289054855.db2.gz QWCPBMOPLOPTBN-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418304696 289109706 /nfs/dbraw/zinc/10/97/06/289109706.db2.gz YOEVCDPZTQZNEF-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000378206509 292725912 /nfs/dbraw/zinc/72/59/12/292725912.db2.gz CQCBLOODILFAHP-PKOBYXMFSA-N 2 0 333.476 1.730 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1cccc(F)c1 ZINC000272043354 289282666 /nfs/dbraw/zinc/28/26/66/289282666.db2.gz DUIVBQSJWSEAQX-KRWDZBQOSA-N 2 0 334.439 1.990 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000292210538 289289921 /nfs/dbraw/zinc/28/99/21/289289921.db2.gz YZPBYGIZLSPEFD-INIZCTEOSA-N 2 0 333.480 1.227 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CCCCC1 ZINC000262067018 289351381 /nfs/dbraw/zinc/35/13/81/289351381.db2.gz BHUKARHQXSCJSN-QGZVFWFLSA-N 2 0 347.507 1.589 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000363819945 289353467 /nfs/dbraw/zinc/35/34/67/289353467.db2.gz KFPZBSHSWMIZFC-GUDVDZBRSA-N 2 0 344.503 1.432 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc(F)c1 ZINC000188693171 289362795 /nfs/dbraw/zinc/36/27/95/289362795.db2.gz OOXQLWBBWHDVIP-OAHLLOKOSA-N 2 0 331.395 1.227 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000271137935 289610199 /nfs/dbraw/zinc/61/01/99/289610199.db2.gz ROJCZTSNOCSNHG-PBHICJAKSA-N 2 0 337.439 1.513 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419794707 289774252 /nfs/dbraw/zinc/77/42/52/289774252.db2.gz HIXMCBVNOHAYAV-BHYGNILZSA-N 2 0 346.475 1.134 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000356246281 290083610 /nfs/dbraw/zinc/08/36/10/290083610.db2.gz SNJCGKWUDXQSEL-JYJNAYRXSA-N 2 0 325.497 1.410 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000367713747 293118124 /nfs/dbraw/zinc/11/81/24/293118124.db2.gz VLKVUVRFVNGQLB-BHYGNILZSA-N 2 0 335.448 1.168 20 0 EDADRP [NH3+]CCCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000359275079 295229122 /nfs/dbraw/zinc/22/91/22/295229122.db2.gz BSOULHKUEJOSCX-UHFFFAOYSA-N 2 0 344.503 1.580 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418521147 304507871 /nfs/dbraw/zinc/50/78/71/304507871.db2.gz HZKSSGXWWJLOIS-LBPRGKRZSA-N 2 0 328.407 1.775 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418603232 304517482 /nfs/dbraw/zinc/51/74/82/304517482.db2.gz WJYCNPPQZUPYDE-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)C(F)F ZINC000418700557 304529828 /nfs/dbraw/zinc/52/98/28/304529828.db2.gz CDVFVJMQBSETJV-VSZIENKLSA-N 2 0 330.423 1.422 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000418934846 304552850 /nfs/dbraw/zinc/55/28/50/304552850.db2.gz LEQDDEGPEDSTCF-INIZCTEOSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000419097257 304564081 /nfs/dbraw/zinc/56/40/81/304564081.db2.gz DMCZABNPOQSISF-BZUAXINKSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C(C)(C)C ZINC000419138637 304569780 /nfs/dbraw/zinc/56/97/80/304569780.db2.gz SWNSLVVUUSZEOR-KKUMJFAQSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CCC[C@H]1C[NH3+])c1ccccc1 ZINC000419644499 304649311 /nfs/dbraw/zinc/64/93/11/304649311.db2.gz HJLUKJQSLYFGLZ-HOCLYGCPSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000419812115 304688480 /nfs/dbraw/zinc/68/84/80/304688480.db2.gz GLPUYBXHRLCSMZ-HUUCEWRRSA-N 2 0 346.475 1.171 20 0 EDADRP CN(C)C(=O)CN1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294341958 303094565 /nfs/dbraw/zinc/09/45/65/303094565.db2.gz YMDXLSHABCCJOA-UHFFFAOYSA-N 2 0 345.491 1.193 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CCCN2CC[NH+](CC)CC2)[nH]c1C ZINC000294977857 303159049 /nfs/dbraw/zinc/15/90/49/303159049.db2.gz FZQMHHQQKVRAFJ-UHFFFAOYSA-N 2 0 336.480 1.617 20 0 EDADRP COC[C@]1(C(=O)OC)CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000295038056 303165837 /nfs/dbraw/zinc/16/58/37/303165837.db2.gz MICMDVRBSVYBLM-SFHVURJKSA-N 2 0 329.400 1.884 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000295248375 303194221 /nfs/dbraw/zinc/19/42/21/303194221.db2.gz UABARQGVUJPWMC-GJZGRUSLSA-N 2 0 339.505 1.968 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC1CC[NH2+]CC1 ZINC000297294055 303382395 /nfs/dbraw/zinc/38/23/95/303382395.db2.gz VCVRGVKYKKNPID-UHFFFAOYSA-N 2 0 330.476 1.315 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208433 447328271 /nfs/dbraw/zinc/32/82/71/447328271.db2.gz IIPPXWCIPSTYIC-SOLBZPMBSA-N 2 0 333.476 1.593 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C(C)C ZINC000419665476 447332112 /nfs/dbraw/zinc/33/21/12/447332112.db2.gz OPBCCVQVBOGKLR-HOTGVXAUSA-N 2 0 340.512 1.197 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390549803 303849636 /nfs/dbraw/zinc/84/96/36/303849636.db2.gz JQQSPLRGAPFUJZ-UXHICEINSA-N 3 0 330.520 1.911 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000414880235 447340990 /nfs/dbraw/zinc/34/09/90/447340990.db2.gz JVZVQDIENMOWSY-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C1CCC([NH3+])CC1 ZINC000423229720 304890042 /nfs/dbraw/zinc/89/00/42/304890042.db2.gz HVURFUDDFSNRAR-HSBZDZAISA-N 2 0 325.478 1.871 20 0 EDADRP COCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423336602 304893237 /nfs/dbraw/zinc/89/32/37/304893237.db2.gz QNHFNHBRDSXMDX-WOJBJXKFSA-N 2 0 347.503 1.841 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C12CCOCC2 ZINC000423411526 304894826 /nfs/dbraw/zinc/89/48/26/304894826.db2.gz USWDQOPKKWPWAA-HZPDHXFCSA-N 2 0 326.481 1.566 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424078862 304927943 /nfs/dbraw/zinc/92/79/43/304927943.db2.gz QLGKUVMUBWECSS-IUODEOHRSA-N 2 0 328.420 1.152 20 0 EDADRP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)Cn1cc(Br)ccc1=O ZINC000428247291 305008910 /nfs/dbraw/zinc/00/89/10/305008910.db2.gz UARMVFDYOJDTCI-VXGBXAGGSA-N 2 0 330.270 1.929 20 0 EDADRP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430631880 305060380 /nfs/dbraw/zinc/06/03/80/305060380.db2.gz VZHTXISWYZQVLG-SFHVURJKSA-N 2 0 345.487 1.826 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCc2ccccc2Cn2cccn2)CC1 ZINC000430652898 305061498 /nfs/dbraw/zinc/06/14/98/305061498.db2.gz XZPONZYSVMFASA-UHFFFAOYSA-N 2 0 341.459 1.218 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430864835 305066388 /nfs/dbraw/zinc/06/63/88/305066388.db2.gz ALANFONPTFAJSN-AWEZNQCLSA-N 2 0 346.475 1.220 20 0 EDADRP COc1ccc(NC(=O)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430935683 305069185 /nfs/dbraw/zinc/06/91/85/305069185.db2.gz VFSHYRZFRTURLR-LBPRGKRZSA-N 2 0 334.420 1.403 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000431040030 305073505 /nfs/dbraw/zinc/07/35/05/305073505.db2.gz UXMWBHHYMJGULE-INIZCTEOSA-N 2 0 326.444 1.957 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431042996 305073564 /nfs/dbraw/zinc/07/35/64/305073564.db2.gz NOZCNXUOFBDXFV-CABCVRRESA-N 2 0 336.480 1.466 20 0 EDADRP Cc1cc(NC(=O)N[C@H](C)CC[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000431141875 305075795 /nfs/dbraw/zinc/07/57/95/305075795.db2.gz YIIFPTZBKKBEHM-CYBMUJFWSA-N 2 0 336.484 1.920 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](CS(C)(=O)=O)C2)CC1 ZINC000433072000 305099631 /nfs/dbraw/zinc/09/96/31/305099631.db2.gz MMEJLQJVISPBKK-QGZVFWFLSA-N 2 0 345.553 1.159 20 0 EDADRP Cn1c(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)nc2ccccc21 ZINC000433113351 305100540 /nfs/dbraw/zinc/10/05/40/305100540.db2.gz CFCYQZKENNDMEE-UHFFFAOYSA-N 2 0 329.448 1.393 20 0 EDADRP Cc1nc(-c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2)n[nH]1 ZINC000433115829 305100771 /nfs/dbraw/zinc/10/07/71/305100771.db2.gz JLDKYORYMGEAIV-UHFFFAOYSA-N 2 0 342.447 1.922 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@H](c3ccccc3)C2)CC1 ZINC000433125238 305101108 /nfs/dbraw/zinc/10/11/08/305101108.db2.gz IRPBZLQTSIQNOD-SFHVURJKSA-N 2 0 331.460 1.790 20 0 EDADRP CC(C)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)OC(C)C ZINC000433140948 305101531 /nfs/dbraw/zinc/10/15/31/305101531.db2.gz LDCFEPFZIXOJMM-INIZCTEOSA-N 2 0 341.496 1.672 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433294778 305105328 /nfs/dbraw/zinc/10/53/28/305105328.db2.gz NFQQTIGMOQZKEO-SJORKVTESA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433374994 305106786 /nfs/dbraw/zinc/10/67/86/305106786.db2.gz KGYAOMXEPIMSSD-OWCLPIDISA-N 2 0 348.495 1.300 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000434684953 305127687 /nfs/dbraw/zinc/12/76/87/305127687.db2.gz NPSGEJTWOFOZLO-AWEZNQCLSA-N 2 0 332.448 1.530 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+](C)C ZINC000434715614 305129391 /nfs/dbraw/zinc/12/93/91/305129391.db2.gz AFWRWRTXZBBFJD-IUODEOHRSA-N 2 0 348.447 1.077 20 0 EDADRP CC(=O)Nc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436057491 305151678 /nfs/dbraw/zinc/15/16/78/305151678.db2.gz GNUJFCFMKGCAOR-QGZVFWFLSA-N 2 0 332.448 1.465 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000438990260 305192581 /nfs/dbraw/zinc/19/25/81/305192581.db2.gz XSSPBGRXZOLICH-ZDUSSCGKSA-N 2 0 335.448 1.761 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446365713 305263744 /nfs/dbraw/zinc/26/37/44/305263744.db2.gz BEQISSVTMMPXLN-HWLIBYHHSA-N 2 0 335.492 1.652 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccnn1C ZINC000447529333 305281635 /nfs/dbraw/zinc/28/16/35/305281635.db2.gz JTUZRRYVHXKTPS-INIZCTEOSA-N 2 0 343.479 1.463 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449071321 305305657 /nfs/dbraw/zinc/30/56/57/305305657.db2.gz AWZCAXMEEWFQNC-HXUWFJFHSA-N 2 0 338.455 1.609 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@@H+]1C[C@H](C)O ZINC000449349030 305312237 /nfs/dbraw/zinc/31/22/37/305312237.db2.gz OBFVMIMZUACYGN-HQRMLTQVSA-N 2 0 345.487 1.221 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCS(=O)(=O)C(C)C)CC1 ZINC000451977917 305375782 /nfs/dbraw/zinc/37/57/82/305375782.db2.gz FCDJTECQKOSAKR-UHFFFAOYSA-N 2 0 333.542 1.205 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@H](C)C[C@H](O)C1 ZINC000452067305 305381691 /nfs/dbraw/zinc/38/16/91/305381691.db2.gz IDCJJUYUBSSRNI-FPAYPSAMSA-N 2 0 345.487 1.468 20 0 EDADRP Brc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc2c1OCCO2 ZINC000414902736 447350444 /nfs/dbraw/zinc/35/04/44/447350444.db2.gz HNEPGCZVTJWYMP-SNVBAGLBSA-N 2 0 327.222 1.919 20 0 EDADRP C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)[C@H](C)[NH3+] ZINC000493810464 305627829 /nfs/dbraw/zinc/62/78/29/305627829.db2.gz AFBTYMHLLIGJNN-PMPSAXMXSA-N 2 0 333.476 1.986 20 0 EDADRP CS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000515093868 305714966 /nfs/dbraw/zinc/71/49/66/305714966.db2.gz UNMXAUFTVDBZQG-WBVHZDCISA-N 2 0 343.537 1.558 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H](c1ccccc1)[NH+](C)C ZINC000516857097 305742832 /nfs/dbraw/zinc/74/28/32/305742832.db2.gz QWLCZGLFLWUVCR-BHYGNILZSA-N 2 0 334.464 1.356 20 0 EDADRP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000518164222 305759361 /nfs/dbraw/zinc/75/93/61/305759361.db2.gz CFQSZTJDWGFSHR-GFCCVEGCSA-N 2 0 329.366 1.658 20 0 EDADRP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)c1 ZINC000519538602 305769833 /nfs/dbraw/zinc/76/98/33/305769833.db2.gz PKTRHDFOGVHFQX-LBPRGKRZSA-N 2 0 327.375 1.679 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000529307601 305907690 /nfs/dbraw/zinc/90/76/90/305907690.db2.gz CVEPWBOIFUULCI-RDJZCZTQSA-N 2 0 338.496 1.127 20 0 EDADRP CC(C)C[C@@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000538644127 306031127 /nfs/dbraw/zinc/03/11/27/306031127.db2.gz RPHSFZWKRZOMCI-IAGOWNOFSA-N 2 0 342.528 1.715 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCCCC3)C2)CC1 ZINC000541984396 306050476 /nfs/dbraw/zinc/05/04/76/306050476.db2.gz PEEQQWCPAHKHKT-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(S(C)(=O)=O)cc1 ZINC000545313057 306084193 /nfs/dbraw/zinc/08/41/93/306084193.db2.gz HPCRXGLKHQKYHK-OAHLLOKOSA-N 2 0 339.505 1.206 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cn2ccccc2n1 ZINC000551266751 306156895 /nfs/dbraw/zinc/15/68/95/306156895.db2.gz DQLBFVRINIPSRN-KRWDZBQOSA-N 2 0 345.491 1.375 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000551951669 306170520 /nfs/dbraw/zinc/17/05/20/306170520.db2.gz HJZOACFQVZQCAP-MRXNPFEDSA-N 2 0 331.460 1.728 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414945717 447367698 /nfs/dbraw/zinc/36/76/98/447367698.db2.gz RYVCAJLPOAXSNG-UKRRQHHQSA-N 2 0 335.448 1.298 20 0 EDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000556818907 306218444 /nfs/dbraw/zinc/21/84/44/306218444.db2.gz FQBOSKSEEWSIPO-FOQHCXHFSA-N 2 0 334.460 1.359 20 0 EDADRP O=S(=O)(NCC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000557338111 306227535 /nfs/dbraw/zinc/22/75/35/306227535.db2.gz TXSMXQLVKOJKCC-QGZVFWFLSA-N 2 0 337.489 1.429 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717392 447370131 /nfs/dbraw/zinc/37/01/31/447370131.db2.gz BCNBKNNVSONQTL-OCCSQVGLSA-N 2 0 338.496 1.140 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000414951721 447370483 /nfs/dbraw/zinc/37/04/83/447370483.db2.gz HBQMZCWJCILEJR-MQIPJXDCSA-N 2 0 330.432 1.244 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908454 447387831 /nfs/dbraw/zinc/38/78/31/447387831.db2.gz TWKIFLFGJXRMHN-BRWVUGGUSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908464 447388278 /nfs/dbraw/zinc/38/82/78/447388278.db2.gz TWKIFLFGJXRMHN-IXDOHACOSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000377908458 447388396 /nfs/dbraw/zinc/38/83/96/447388396.db2.gz TWKIFLFGJXRMHN-IKGGRYGDSA-N 2 0 335.492 1.620 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000458529491 447401817 /nfs/dbraw/zinc/40/18/17/447401817.db2.gz XZINQBAKGMBNSW-GOEBONIOSA-N 2 0 328.526 1.549 20 0 EDADRP CCOCCN1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426332993 447416766 /nfs/dbraw/zinc/41/67/66/447416766.db2.gz YFSKZUJERRKFJL-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP COc1ccc(CC[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1O ZINC000426371770 447427852 /nfs/dbraw/zinc/42/78/52/447427852.db2.gz OPDUTNQWLCKCRN-INIZCTEOSA-N 2 0 335.492 1.949 20 0 EDADRP CC(C)CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751808 441031966 /nfs/dbraw/zinc/03/19/66/441031966.db2.gz LCHSXZBPECGAHH-GOSISDBHSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@H+](CCOc1ccc(Br)cc1)CCN1CC[NH2+]CC1 ZINC000071150520 441141307 /nfs/dbraw/zinc/14/13/07/441141307.db2.gz FYDJCVMYQSGNLT-UHFFFAOYSA-N 2 0 342.281 1.665 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C[S@](C)=O)c1 ZINC000103212108 441177153 /nfs/dbraw/zinc/17/71/53/441177153.db2.gz XKRDOUZKYPYICN-HSZRJFAPSA-N 2 0 339.505 1.131 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000081255950 441245398 /nfs/dbraw/zinc/24/53/98/441245398.db2.gz DHWQGWQYQSSFIE-UHFFFAOYSA-N 2 0 333.476 1.170 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC(C)(C)[NH+](C)C)cc2)CC1 ZINC000072812449 441261626 /nfs/dbraw/zinc/26/16/26/441261626.db2.gz RWUGSZDUUNDMIF-UHFFFAOYSA-N 2 0 332.492 1.899 20 0 EDADRP C[NH+](C)C1(C(=O)NC2CC[NH+](C3CC3)CC2)Cc2ccccc2C1 ZINC000072844802 441268688 /nfs/dbraw/zinc/26/86/88/441268688.db2.gz YBDJYINWLRCWLQ-UHFFFAOYSA-N 2 0 327.472 1.829 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000072996303 441283860 /nfs/dbraw/zinc/28/38/60/441283860.db2.gz REIXWRLBVAFZBO-IBGZPJMESA-N 2 0 344.503 1.504 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCn2ccnc21 ZINC000081724673 441304752 /nfs/dbraw/zinc/30/47/52/441304752.db2.gz JQMBFVUDXIAJNP-MRXNPFEDSA-N 2 0 335.496 1.493 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1nccs1 ZINC000073757459 441350854 /nfs/dbraw/zinc/35/08/54/441350854.db2.gz NQSWQAQRJXKSBW-CQSZACIVSA-N 2 0 339.509 1.701 20 0 EDADRP C[C@@H](NC(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085389908 441437680 /nfs/dbraw/zinc/43/76/80/441437680.db2.gz APYITTFZEQNOIL-OAHLLOKOSA-N 2 0 341.544 1.288 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000052869973 441482424 /nfs/dbraw/zinc/48/24/24/441482424.db2.gz PNSAONCHYBZAME-IXDOHACOSA-N 2 0 325.497 1.437 20 0 EDADRP CCC[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)[NH+](C)C ZINC000089344252 441538839 /nfs/dbraw/zinc/53/88/39/441538839.db2.gz HUECIFKMUODGER-QGZVFWFLSA-N 2 0 339.524 1.993 20 0 EDADRP C[C@@H]1CCCCN1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000075655861 441546552 /nfs/dbraw/zinc/54/65/52/441546552.db2.gz KASCPWJTKUPCHQ-MRXNPFEDSA-N 2 0 348.557 1.311 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000112215762 441546842 /nfs/dbraw/zinc/54/68/42/441546842.db2.gz HSKPWYLWRXCFLZ-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H](O)[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H]([C@H](C)O)C2)C1 ZINC000089932524 441597972 /nfs/dbraw/zinc/59/79/72/441597972.db2.gz XSWNEXXMQJOBCA-FZDBZEDMSA-N 2 0 328.497 1.189 20 0 EDADRP C[C@H](CNC(=O)C1([NH+](C)C)Cc2ccccc2C1)C[NH+]1CCCC1 ZINC000076314577 441628219 /nfs/dbraw/zinc/62/82/19/441628219.db2.gz STXRNQGBVGLJMG-MRXNPFEDSA-N 2 0 329.488 1.934 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000090582413 441636920 /nfs/dbraw/zinc/63/69/20/441636920.db2.gz SPKCGVHEKPPAIU-OUCADQQQSA-N 2 0 345.534 1.653 20 0 EDADRP O[C@@H](COc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682406 441674148 /nfs/dbraw/zinc/67/41/48/441674148.db2.gz JTWRTAMGEWVZDI-GOSISDBHSA-N 2 0 334.460 1.471 20 0 EDADRP O[C@H](COCc1ccco1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682661 441674633 /nfs/dbraw/zinc/67/46/33/441674633.db2.gz MPLDPEPKIROYTD-KRWDZBQOSA-N 2 0 338.448 1.201 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000137515321 441773092 /nfs/dbraw/zinc/77/30/92/441773092.db2.gz CYGYNNNWYWKOMJ-SFHVURJKSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000173663891 441820025 /nfs/dbraw/zinc/82/00/25/441820025.db2.gz HCPIEDQFMKZPOA-WCXIOVBPSA-N 2 0 340.512 1.610 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000115798744 441779578 /nfs/dbraw/zinc/77/95/78/441779578.db2.gz OURCZFLQYYEDJU-MRXNPFEDSA-N 2 0 326.485 1.082 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(C3CC3)s2)CC1 ZINC000092615857 441813361 /nfs/dbraw/zinc/81/33/61/441813361.db2.gz RRQARHRDQUDRIT-UHFFFAOYSA-N 2 0 336.505 1.910 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000116450763 441823107 /nfs/dbraw/zinc/82/31/07/441823107.db2.gz VEPCXLGXNCJHDL-RTBURBONSA-N 2 0 347.503 1.368 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000174349157 441915066 /nfs/dbraw/zinc/91/50/66/441915066.db2.gz FCKMHJNPGIVCJH-UHFFFAOYSA-N 2 0 332.492 1.458 20 0 EDADRP CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000174352437 441915344 /nfs/dbraw/zinc/91/53/44/441915344.db2.gz XKNWSZGHDHWWJN-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000174359314 441916476 /nfs/dbraw/zinc/91/64/76/441916476.db2.gz MSWIKSUJVVEFTB-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](C(=O)NCc1cccs1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714251 441957885 /nfs/dbraw/zinc/95/78/85/441957885.db2.gz PALUQJXEXTYFLS-OAHLLOKOSA-N 2 0 338.521 1.322 20 0 EDADRP CCN1CCO[C@H](C(=O)Nc2ccc3c(c2)nc(C)n3[C@@H](C)CO)C1 ZINC000456721596 447445766 /nfs/dbraw/zinc/44/57/66/447445766.db2.gz QUGGGZZWRPQHJA-SJCJKPOMSA-N 2 0 346.431 1.557 20 0 EDADRP Cc1noc(C)c1[C@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000151518042 442076119 /nfs/dbraw/zinc/07/61/19/442076119.db2.gz IRUKUJGELCUCHG-CYBMUJFWSA-N 2 0 339.484 1.530 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175535595 442081993 /nfs/dbraw/zinc/08/19/93/442081993.db2.gz XGRTYRWPAXANMU-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000162326227 442083386 /nfs/dbraw/zinc/08/33/86/442083386.db2.gz JWRJIPDBJGGSSX-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCCN2CCOCC2)C[C@@H]1n1ccnc1 ZINC000151567938 442085941 /nfs/dbraw/zinc/08/59/41/442085941.db2.gz KDYFWXMRKIYPOM-CVEARBPZSA-N 2 0 335.452 1.198 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162524857 442100269 /nfs/dbraw/zinc/10/02/69/442100269.db2.gz RCZNHYZIRMRFKM-ZDUSSCGKSA-N 2 0 344.301 1.261 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000097096304 442166138 /nfs/dbraw/zinc/16/61/38/442166138.db2.gz IWYUSYYCYLYKKF-UJJTZGENSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+][C@@H]1[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H]2CC[C@H]1C2 ZINC000163526089 442172216 /nfs/dbraw/zinc/17/22/16/442172216.db2.gz KHRPXLXANLVXBV-ZRSRNVLSSA-N 2 0 343.471 1.377 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000164728737 442201870 /nfs/dbraw/zinc/20/18/70/442201870.db2.gz KEKZLZOBVJQKIE-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000128011330 442239997 /nfs/dbraw/zinc/23/99/97/442239997.db2.gz KKKCIHZZCDUDEW-CZUORRHYSA-N 2 0 325.478 1.196 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000152835907 442246896 /nfs/dbraw/zinc/24/68/96/442246896.db2.gz GCGNYRYUFFOOTJ-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034567 442302235 /nfs/dbraw/zinc/30/22/35/442302235.db2.gz DGGZJQQVPWKXKD-OAGGEKHMSA-N 2 0 328.501 1.515 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000171193115 442325689 /nfs/dbraw/zinc/32/56/89/442325689.db2.gz COLVBLBJQFPHDG-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP Cn1c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2oc1=O ZINC000131842115 442380936 /nfs/dbraw/zinc/38/09/36/442380936.db2.gz VJJDCHAAVSIQKE-UHFFFAOYSA-N 2 0 349.435 1.089 20 0 EDADRP CC(C)CN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000171589088 442359920 /nfs/dbraw/zinc/35/99/20/442359920.db2.gz UCNCJDNPUWSMAK-QGZVFWFLSA-N 2 0 341.540 1.904 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)[NH+]1CCCCCC1 ZINC000172326507 442444624 /nfs/dbraw/zinc/44/46/24/442444624.db2.gz DODYFBQFOHYYIH-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873732 442510429 /nfs/dbraw/zinc/51/04/29/442510429.db2.gz AIPDANHKXGARCA-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178832703 442498723 /nfs/dbraw/zinc/49/87/23/442498723.db2.gz RVEKOBKDPKJADA-KRWDZBQOSA-N 2 0 331.460 1.402 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000192341833 442637041 /nfs/dbraw/zinc/63/70/41/442637041.db2.gz NBTGCYPOOXWNRK-GFCCVEGCSA-N 2 0 326.470 1.418 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000180752799 442655803 /nfs/dbraw/zinc/65/58/03/442655803.db2.gz MPPXZFOOAAZOER-DLBZAZTESA-N 2 0 340.512 1.205 20 0 EDADRP COCCOC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192742288 442682676 /nfs/dbraw/zinc/68/26/76/442682676.db2.gz XJXPXXZRUJNFRD-UHFFFAOYSA-N 2 0 327.513 1.530 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000187888305 442696885 /nfs/dbraw/zinc/69/68/85/442696885.db2.gz JBBIASKNOBNRLZ-KSZLIROESA-N 2 0 347.459 1.325 20 0 EDADRP CC[C@@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)C(N)=O ZINC000181636529 442707807 /nfs/dbraw/zinc/70/78/07/442707807.db2.gz OGGZNSIVQIEBCH-CZUORRHYSA-N 2 0 336.455 1.882 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCCOCC1 ZINC000187193863 442659794 /nfs/dbraw/zinc/65/97/94/442659794.db2.gz WZACMYWAMYMCIX-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@@H](CCNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCCCC1 ZINC000181762839 442714698 /nfs/dbraw/zinc/71/46/98/442714698.db2.gz IWACYTVAIQXAAZ-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000265437392 442772540 /nfs/dbraw/zinc/77/25/40/442772540.db2.gz XPTRZGYTRJMVLU-GOSISDBHSA-N 2 0 346.519 1.651 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000268204711 442899106 /nfs/dbraw/zinc/89/91/06/442899106.db2.gz RWJFJIWGTZTBON-CXAGYDPISA-N 2 0 344.459 1.286 20 0 EDADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)NC1CCCC1 ZINC000182952098 442853164 /nfs/dbraw/zinc/85/31/64/442853164.db2.gz CTKJYSMXSRTGQN-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COC[C@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616074 442908251 /nfs/dbraw/zinc/90/82/51/442908251.db2.gz YYGPGKRGRGNUJN-OGWHTMIXSA-N 2 0 340.508 1.786 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)=O)c[nH]1 ZINC000194872929 442963715 /nfs/dbraw/zinc/96/37/15/442963715.db2.gz DXAOBVWVLQZCGK-MRXNPFEDSA-N 2 0 334.464 1.705 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195039253 442978477 /nfs/dbraw/zinc/97/84/77/442978477.db2.gz LKGGYUBYFKTQAV-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP COC(=O)[C@]1(C)CC[N@H+](C/C=C\C[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000255737861 443109173 /nfs/dbraw/zinc/10/91/73/443109173.db2.gz TVGLESDTEDHDFY-SPCWZHTESA-N 2 0 338.448 1.313 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801636 443112995 /nfs/dbraw/zinc/11/29/95/443112995.db2.gz JLYWPIYPBVOCKQ-AZUAARDMSA-N 2 0 345.535 1.914 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)C[NH2+]C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000237554100 443175474 /nfs/dbraw/zinc/17/54/74/443175474.db2.gz HEQCLMLQLKARBD-MJGOQNOKSA-N 2 0 329.444 1.841 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000262068673 443182603 /nfs/dbraw/zinc/18/26/03/443182603.db2.gz RVCXCRPQUUWOMP-QGZVFWFLSA-N 2 0 337.431 1.456 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185329076 443183362 /nfs/dbraw/zinc/18/33/62/443183362.db2.gz TZVHNTROSLGHNO-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000237923180 443188539 /nfs/dbraw/zinc/18/85/39/443188539.db2.gz XKPNWLZMVGJVNO-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000269235358 443244499 /nfs/dbraw/zinc/24/44/99/443244499.db2.gz GHTCZVWUPTUAJR-QZTJIDSGSA-N 2 0 331.460 1.046 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185726321 443245317 /nfs/dbraw/zinc/24/53/17/443245317.db2.gz ZZFRILUEBGAUMQ-JZXOWHBKSA-N 2 0 340.508 1.786 20 0 EDADRP CCOc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)ccc1OC(F)F ZINC000397029199 319133786 /nfs/dbraw/zinc/13/37/86/319133786.db2.gz WWSHCPUPAPOMKN-UHFFFAOYSA-N 2 0 330.375 1.972 20 0 EDADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000411376672 319180906 /nfs/dbraw/zinc/18/09/06/319180906.db2.gz BFBQPADRCTVQFG-DLBZAZTESA-N 2 0 337.533 1.901 20 0 EDADRP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](CC)CC1 ZINC000411780995 319202779 /nfs/dbraw/zinc/20/27/79/319202779.db2.gz BDAGMGSZRCGQTG-CVEARBPZSA-N 2 0 339.480 1.298 20 0 EDADRP Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000411785898 319203563 /nfs/dbraw/zinc/20/35/63/319203563.db2.gz LFLITINOYMTDON-UHFFFAOYSA-N 2 0 340.431 1.122 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+]2C)Cc2ccccc2C1 ZINC000266817965 443254863 /nfs/dbraw/zinc/25/48/63/443254863.db2.gz XFJKXTXJLSMAJY-QGZVFWFLSA-N 2 0 330.476 1.479 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cncc(F)c1 ZINC000414205833 319319528 /nfs/dbraw/zinc/31/95/28/319319528.db2.gz XSWGAXFTNBPRIF-OAHLLOKOSA-N 2 0 336.455 1.668 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+](Cc2ccccc2)C[C@@H]2CCCO2)C1 ZINC000414682721 319341717 /nfs/dbraw/zinc/34/17/17/319341717.db2.gz AIANMPIQZVWCFD-OALUTQOASA-N 2 0 345.487 1.865 20 0 EDADRP c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414776334 319343805 /nfs/dbraw/zinc/34/38/05/319343805.db2.gz HBHKIVWIBUHVKN-GJZGRUSLSA-N 2 0 336.505 1.801 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCCCC[NH+](C)C)CC2)c1 ZINC000266827453 443258683 /nfs/dbraw/zinc/25/86/83/443258683.db2.gz KBXNJILGCNSGGW-UHFFFAOYSA-N 2 0 346.519 1.965 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000415176900 319347369 /nfs/dbraw/zinc/34/73/69/319347369.db2.gz YNYORJRFKVDPNL-WBVHZDCISA-N 2 0 344.459 1.287 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415212261 319351702 /nfs/dbraw/zinc/35/17/02/319351702.db2.gz CCXZAGADSVBHJI-SUMWQHHRSA-N 2 0 342.443 1.314 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000415308644 319361063 /nfs/dbraw/zinc/36/10/63/319361063.db2.gz LJPZVOQOOTXROP-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000415686719 319363983 /nfs/dbraw/zinc/36/39/83/319363983.db2.gz IWMNZYXLZGWDQS-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1Oc1ccncc1 ZINC000415793450 319370768 /nfs/dbraw/zinc/37/07/68/319370768.db2.gz UVICFTJTPPUCQT-QWHCGFSZSA-N 2 0 342.399 1.973 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000415996183 319388176 /nfs/dbraw/zinc/38/81/76/319388176.db2.gz OMPVPDUECBEMEB-KGLIPLIRSA-N 2 0 344.381 1.840 20 0 EDADRP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@@H](C)O1 ZINC000246017204 443262842 /nfs/dbraw/zinc/26/28/42/443262842.db2.gz JEMQHEXGJKSMKL-QBPKDAKJSA-N 2 0 346.537 1.821 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000264479879 443305446 /nfs/dbraw/zinc/30/54/46/443305446.db2.gz HPGBBIXKHWJTQA-GOSISDBHSA-N 2 0 331.460 1.733 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416810364 319462226 /nfs/dbraw/zinc/46/22/26/319462226.db2.gz BQGMIKULKQZSSC-RDJZCZTQSA-N 2 0 334.464 1.869 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416815015 319463244 /nfs/dbraw/zinc/46/32/44/319463244.db2.gz HIDBMLARXLFHPB-YJBOKZPZSA-N 2 0 332.448 1.812 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000267008822 443312889 /nfs/dbraw/zinc/31/28/89/443312889.db2.gz BBMWXSLWRNNVJG-UHFFFAOYSA-N 2 0 331.460 1.469 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416952125 319484255 /nfs/dbraw/zinc/48/42/55/319484255.db2.gz JENNIHPPHIJTQE-GDBMZVCRSA-N 2 0 326.485 1.032 20 0 EDADRP CCC[NH2+]CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417104049 319486016 /nfs/dbraw/zinc/48/60/16/319486016.db2.gz DVDQURHHJFCRGA-UHFFFAOYSA-N 2 0 328.526 1.647 20 0 EDADRP CC[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+](CC)CC ZINC000270607864 443476491 /nfs/dbraw/zinc/47/64/91/443476491.db2.gz HTNMOCNVJDEMOT-MRXNPFEDSA-N 2 0 336.480 1.759 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)Cc2ccccc2C1 ZINC000278976068 443478687 /nfs/dbraw/zinc/47/86/87/443478687.db2.gz CXKJRAIZDTTYMD-SFHVURJKSA-N 2 0 327.472 1.829 20 0 EDADRP C[N@H+](CCO)C1CC[NH+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)CC1 ZINC000282992719 443490027 /nfs/dbraw/zinc/49/00/27/443490027.db2.gz FBMMQONAZWZOCA-KRWDZBQOSA-N 2 0 345.487 1.537 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423053507 319750252 /nfs/dbraw/zinc/75/02/52/319750252.db2.gz SQXGGTACIMBISJ-RDJZCZTQSA-N 2 0 337.489 1.834 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@@]2(COC)CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423307444 319762771 /nfs/dbraw/zinc/76/27/71/319762771.db2.gz NEHSGTAUCMMPJK-MJGOQNOKSA-N 2 0 333.476 1.594 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)C1CCCCC1 ZINC000423328117 319765034 /nfs/dbraw/zinc/76/50/34/319765034.db2.gz NTLCLHWBRFYKTB-MRXNPFEDSA-N 2 0 336.484 1.257 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000423714771 319806202 /nfs/dbraw/zinc/80/62/02/319806202.db2.gz SPURLSOIVDOKCZ-MBOZVWFJSA-N 2 0 349.519 1.996 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000438078366 320032732 /nfs/dbraw/zinc/03/27/32/320032732.db2.gz NGPYCTAUAHAHBM-OAHLLOKOSA-N 2 0 334.464 1.637 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000439355798 320046282 /nfs/dbraw/zinc/04/62/82/320046282.db2.gz JKGYTRWDYGDMIG-HNNXBMFYSA-N 2 0 346.475 1.282 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000440225298 320065379 /nfs/dbraw/zinc/06/53/79/320065379.db2.gz IOVHFSWAKJYNCS-DLBZAZTESA-N 2 0 340.512 1.346 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000440272858 320067931 /nfs/dbraw/zinc/06/79/31/320067931.db2.gz QACQHGYDDRZOMP-AEFFLSMTSA-N 2 0 335.492 1.574 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000440272588 320068309 /nfs/dbraw/zinc/06/83/09/320068309.db2.gz UKNPRQYZQRNPCQ-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000440634154 320076058 /nfs/dbraw/zinc/07/60/58/320076058.db2.gz CIHSTYSFVIAICA-IAGOWNOFSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)ncn1 ZINC000443522434 320108364 /nfs/dbraw/zinc/10/83/64/320108364.db2.gz LZFBKUYCJPDCJY-GEEKYZPCSA-N 2 0 332.496 1.534 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000444260861 320123361 /nfs/dbraw/zinc/12/33/61/320123361.db2.gz UWICBDKUUKQRAK-GOSISDBHSA-N 2 0 344.503 1.765 20 0 EDADRP CCOC(=O)[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC12COC2 ZINC000449362743 320184328 /nfs/dbraw/zinc/18/43/28/320184328.db2.gz KPWLPEUUJQPAHC-HNNXBMFYSA-N 2 0 347.440 1.945 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449376439 320185297 /nfs/dbraw/zinc/18/52/97/320185297.db2.gz LNGSZFNMMZKXPN-UONOGXRCSA-N 2 0 340.265 1.827 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000449728005 320202343 /nfs/dbraw/zinc/20/23/43/320202343.db2.gz SPIYHHQDKPFAJO-SJORKVTESA-N 2 0 330.476 1.442 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CC[N@H+](C)[C@@H]4C3)cc2)CC1 ZINC000453043392 320260851 /nfs/dbraw/zinc/26/08/51/320260851.db2.gz XAEGMVMMCZDTLI-PKOBYXMFSA-N 2 0 342.487 1.605 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453638874 320265408 /nfs/dbraw/zinc/26/54/08/320265408.db2.gz DMYIVBWIZXOYHO-QGZVFWFLSA-N 2 0 346.475 1.632 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000497128465 320419448 /nfs/dbraw/zinc/41/94/48/320419448.db2.gz KCITYAPDUGCCFY-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@@H]2CCCCN12 ZINC000515346054 320432736 /nfs/dbraw/zinc/43/27/36/320432736.db2.gz KEXBDXTYFLZWGS-CLWJZODNSA-N 2 0 341.455 1.985 20 0 EDADRP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](CCOC)C3)c2)CC1 ZINC000276436214 443704676 /nfs/dbraw/zinc/70/46/76/443704676.db2.gz QSJOVQQOKYDFEK-GOSISDBHSA-N 2 0 332.492 1.961 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000276449665 443709515 /nfs/dbraw/zinc/70/95/15/443709515.db2.gz WFUQOTAOMYOUKT-AWEZNQCLSA-N 2 0 334.464 1.533 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000521037475 320481660 /nfs/dbraw/zinc/48/16/60/320481660.db2.gz ICYNQRNLSDCQRN-CMKODMSKSA-N 2 0 342.487 1.091 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)n(C)c1C ZINC000291065920 443743962 /nfs/dbraw/zinc/74/39/62/443743962.db2.gz QGJVIQHQYGVWFO-UHFFFAOYSA-N 2 0 338.496 1.435 20 0 EDADRP C[C@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000280979955 443789284 /nfs/dbraw/zinc/78/92/84/443789284.db2.gz LYLLCFDRUKDLKM-AWEZNQCLSA-N 2 0 340.489 1.855 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)[C@H]2CCCO2)CC1 ZINC000527756926 320523823 /nfs/dbraw/zinc/52/38/23/320523823.db2.gz GVCLTORYBWXOHJ-WOJBJXKFSA-N 2 0 347.503 1.848 20 0 EDADRP CN(CCC[N@H+](C)CCC(=O)Nc1cccc(F)c1)CC[NH+](C)C ZINC000298407121 443763135 /nfs/dbraw/zinc/76/31/35/443763135.db2.gz FJSZADKNBXLFJN-UHFFFAOYSA-N 2 0 338.471 1.970 20 0 EDADRP Cc1ccc(CNC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239736 320616961 /nfs/dbraw/zinc/61/69/61/320616961.db2.gz UNLBBFBTZDTEFI-LJQANCHMSA-N 2 0 345.487 1.702 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOc3ccccc32)CC1 ZINC000530242239 320617208 /nfs/dbraw/zinc/61/72/08/320617208.db2.gz LXUCGMKYVLSBJC-MRXNPFEDSA-N 2 0 344.459 1.196 20 0 EDADRP Cc1cc(C)n2c(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cnc2n1 ZINC000530248138 320618075 /nfs/dbraw/zinc/61/80/75/320618075.db2.gz HBJITIMHNBBNKW-GOSISDBHSA-N 2 0 343.475 1.937 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285419825 443978280 /nfs/dbraw/zinc/97/82/80/443978280.db2.gz DPJAMOGQQQMTLT-IBGZPJMESA-N 2 0 344.459 1.430 20 0 EDADRP CCOCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299548840 444075842 /nfs/dbraw/zinc/07/58/42/444075842.db2.gz KVUUGBRVCXQARA-UHFFFAOYSA-N 2 0 334.464 1.527 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000557116187 321000157 /nfs/dbraw/zinc/00/01/57/321000157.db2.gz PMPNYBZIZJVJOA-BWTSREIZSA-N 2 0 342.487 1.936 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000561013274 321031483 /nfs/dbraw/zinc/03/14/83/321031483.db2.gz IKFMILJAKBKBSK-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000562365079 321054178 /nfs/dbraw/zinc/05/41/78/321054178.db2.gz HCSGEVPKPOXMSX-SJORKVTESA-N 2 0 331.460 1.400 20 0 EDADRP CN(CCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1cc[nH+]cc1 ZINC000562465177 321059280 /nfs/dbraw/zinc/05/92/80/321059280.db2.gz KWTVEXFGSNKHER-UHFFFAOYSA-N 2 0 333.480 1.050 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000562991979 321086465 /nfs/dbraw/zinc/08/64/65/321086465.db2.gz HJPLASJBVFKPOB-ZWKOTPCHSA-N 2 0 332.492 1.895 20 0 EDADRP COC(=O)[C@@H](C)N(C)Cc1ccccc1CN(C)[C@H](C)C(=O)OC ZINC000564822359 321150021 /nfs/dbraw/zinc/15/00/21/321150021.db2.gz UUINHPITKNQLOS-ZIAGYGMSSA-N 2 0 336.432 1.673 20 0 EDADRP Cc1ccccc1-c1cnc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000565047713 321166686 /nfs/dbraw/zinc/16/66/86/321166686.db2.gz WAWJILFFOGHKNF-OAHLLOKOSA-N 2 0 342.443 1.937 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000565188122 321175630 /nfs/dbraw/zinc/17/56/30/321175630.db2.gz KCVJMIAXTDMKCT-UHFFFAOYSA-N 2 0 347.507 1.972 20 0 EDADRP CN(CC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000565225846 321176813 /nfs/dbraw/zinc/17/68/13/321176813.db2.gz GRSJDTNSWKKSPB-ZIAGYGMSSA-N 2 0 329.441 1.306 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000565361182 321183469 /nfs/dbraw/zinc/18/34/69/321183469.db2.gz IEMDSFBNSIMPKT-SPYBWZPUSA-N 2 0 335.492 1.511 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCC2([NH+](C)C)CCCCCC2)n1 ZINC000565900959 321205325 /nfs/dbraw/zinc/20/53/25/321205325.db2.gz WIRQRXGUOHPYDB-UHFFFAOYSA-N 2 0 335.496 1.829 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000566107554 321215548 /nfs/dbraw/zinc/21/55/48/321215548.db2.gz MZCHNVXVWNFQCA-YJBOKZPZSA-N 2 0 349.475 1.706 20 0 EDADRP C[C@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC000566118763 321217715 /nfs/dbraw/zinc/21/77/15/321217715.db2.gz ZGZJIVRKVZMRRF-OAHLLOKOSA-N 2 0 336.455 1.627 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[C@H](c3cccc(F)c3)C2)CC1 ZINC000566123537 321218311 /nfs/dbraw/zinc/21/83/11/321218311.db2.gz BLUYPENTGITMEW-YTQUADARSA-N 2 0 335.467 1.660 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000567475350 321243172 /nfs/dbraw/zinc/24/31/72/321243172.db2.gz HNNSZVKJYCXKJE-SJLPKXTDSA-N 2 0 333.476 1.392 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000567846432 321262343 /nfs/dbraw/zinc/26/23/43/321262343.db2.gz ARTIZNODZNPZBB-QGZVFWFLSA-N 2 0 342.447 1.276 20 0 EDADRP CC[C@@H](O)[C@@H](CC)NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000568293901 321287011 /nfs/dbraw/zinc/28/70/11/321287011.db2.gz WYAAQYYDAVMQST-QZTJIDSGSA-N 2 0 339.524 1.848 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccsc1Cl ZINC000569833108 321329913 /nfs/dbraw/zinc/32/99/13/321329913.db2.gz UYNOAXOXLBPDFC-UHFFFAOYSA-N 2 0 333.885 1.732 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000570942587 321365653 /nfs/dbraw/zinc/36/56/53/321365653.db2.gz KYPOCAOYINSBEF-MOPGFXCFSA-N 2 0 344.503 1.944 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000572347468 321426990 /nfs/dbraw/zinc/42/69/90/321426990.db2.gz XADFWSVKTIBADA-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP COc1cc2c(cc1F)[nH+]ccc2N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000573862959 321460246 /nfs/dbraw/zinc/46/02/46/321460246.db2.gz DTPWRYMFQMYCBH-MFKMUULPSA-N 2 0 330.363 1.131 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cc(C(N)=O)cs1 ZINC000289563779 444172635 /nfs/dbraw/zinc/17/26/35/444172635.db2.gz YVXHVCAFEHNFAC-OAHLLOKOSA-N 2 0 338.521 1.695 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000289562575 444172818 /nfs/dbraw/zinc/17/28/18/444172818.db2.gz CTTRRBBYNZCILB-SCLBCKFNSA-N 2 0 349.500 1.785 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000289742145 444197588 /nfs/dbraw/zinc/19/75/88/444197588.db2.gz HFANHVREUULUHI-CVEARBPZSA-N 2 0 333.432 1.048 20 0 EDADRP CCCCOc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000576389332 321562338 /nfs/dbraw/zinc/56/23/38/321562338.db2.gz IFKGXHFPRNYNHQ-GOSISDBHSA-N 2 0 335.492 1.563 20 0 EDADRP CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000576512485 321572630 /nfs/dbraw/zinc/57/26/30/321572630.db2.gz XGHUZONTONFUOT-YTQUADARSA-N 2 0 333.476 1.139 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000576730350 321591762 /nfs/dbraw/zinc/59/17/62/321591762.db2.gz XXIAQQJHDOEUSN-JZXOWHBKSA-N 2 0 348.516 1.560 20 0 EDADRP C[N@H+](CCCNC(=O)C(C)(C)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000305216586 444265811 /nfs/dbraw/zinc/26/58/11/444265811.db2.gz FCCZRAJNLQWGSR-UHFFFAOYSA-N 2 0 332.492 1.309 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H](C[NH3+])OC)[NH+]1CCCCC1 ZINC000290054935 444236422 /nfs/dbraw/zinc/23/64/22/444236422.db2.gz UHEXMOVCJIVYTP-WBVHZDCISA-N 2 0 335.448 1.312 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)Nc1cccc(CN(C)Cc2cscn2)c1 ZINC000290075577 444238769 /nfs/dbraw/zinc/23/87/69/444238769.db2.gz IMZVMHMKINPHKH-HNNXBMFYSA-N 2 0 334.445 1.687 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000310562116 444291961 /nfs/dbraw/zinc/29/19/61/444291961.db2.gz WBHXMHQASMJICS-OALUTQOASA-N 2 0 335.492 1.132 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C[C@@H](C)O ZINC000297569650 444302597 /nfs/dbraw/zinc/30/25/97/444302597.db2.gz QLVNRMOIPBVAML-ZBFHGGJFSA-N 2 0 345.447 1.321 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000578205352 321738489 /nfs/dbraw/zinc/73/84/89/321738489.db2.gz OAYCMXGGKUHFHW-MRXNPFEDSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000339971126 444346808 /nfs/dbraw/zinc/34/68/08/444346808.db2.gz HXJMVHINUDNXNO-XHSDSOJGSA-N 2 0 327.538 1.908 20 0 EDADRP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000325311031 444364405 /nfs/dbraw/zinc/36/44/05/444364405.db2.gz XFCIKHNUADYAAJ-ARFHVFGLSA-N 2 0 339.480 1.298 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n(C)c1C ZINC000326649975 444377449 /nfs/dbraw/zinc/37/74/49/444377449.db2.gz XUGCXXJXVCSYAP-UHFFFAOYSA-N 2 0 336.480 1.236 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000337824211 444425286 /nfs/dbraw/zinc/42/52/86/444425286.db2.gz SDQNFIHBFPVXAA-HOTGVXAUSA-N 2 0 349.441 1.981 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000340683816 444479675 /nfs/dbraw/zinc/47/96/75/444479675.db2.gz RARBBDGTOHQFBM-GOSISDBHSA-N 2 0 345.487 1.874 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000580065386 322004142 /nfs/dbraw/zinc/00/41/42/322004142.db2.gz USHVKSWAQVJXJG-NUJGCVRESA-N 2 0 327.513 1.167 20 0 EDADRP CN1CCN(C(=O)[C@@H]2C[C@H]2c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000580071671 322005888 /nfs/dbraw/zinc/00/58/88/322005888.db2.gz FJQDUTALRVOJKI-QLFBSQMISA-N 2 0 341.377 1.910 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)nn1 ZINC000580953063 322117171 /nfs/dbraw/zinc/11/71/71/322117171.db2.gz RBDIVOWVHGOEID-UHFFFAOYSA-N 2 0 332.383 1.054 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)C[N@@H+]3CC[C@H](C)C3)CCCC2)CC1 ZINC000581021041 322126134 /nfs/dbraw/zinc/12/61/34/322126134.db2.gz QZXPYMRYMMFOEY-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CN1CCN(C(=O)NCc2ccc(OC(F)F)cc2)[C@H](C[NH3+])C1 ZINC000581240305 322152813 /nfs/dbraw/zinc/15/28/13/322152813.db2.gz LZTDBSQEHWFNNZ-GFCCVEGCSA-N 2 0 328.363 1.072 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000581299660 322160682 /nfs/dbraw/zinc/16/06/82/322160682.db2.gz RLOPSWLBJNYQJM-ZBFHGGJFSA-N 2 0 332.448 1.130 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000332829670 444566480 /nfs/dbraw/zinc/56/64/80/444566480.db2.gz ODPBTPLPRHGOGK-GPMSIDNRSA-N 2 0 345.487 1.742 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCOCC1)Cc1ccccc1 ZINC000338152477 444538698 /nfs/dbraw/zinc/53/86/98/444538698.db2.gz AFTFTZUHSYBVJI-QGZVFWFLSA-N 2 0 333.476 1.564 20 0 EDADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343719054 444543282 /nfs/dbraw/zinc/54/32/82/444543282.db2.gz UAHQINKOXJCPLO-SJORKVTESA-N 2 0 336.524 1.488 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000343733366 444552029 /nfs/dbraw/zinc/55/20/29/444552029.db2.gz NWFKKINDONWNCJ-MRXNPFEDSA-N 2 0 325.522 1.901 20 0 EDADRP c1ncc(N2CC[NH+]3CCC[C@H]3C2)nc1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000342246442 444586275 /nfs/dbraw/zinc/58/62/75/444586275.db2.gz RLEKQCGQJZQPBY-IYBDPMFKSA-N 2 0 328.464 1.045 20 0 EDADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000338283150 444611031 /nfs/dbraw/zinc/61/10/31/444611031.db2.gz HFYDESDXJHASDD-INMHGKMJSA-N 2 0 341.521 1.217 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000342288866 444615278 /nfs/dbraw/zinc/61/52/78/444615278.db2.gz ADMJCIGYCKJOHO-IRXDYDNUSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)CC1 ZINC000341003109 444625529 /nfs/dbraw/zinc/62/55/29/444625529.db2.gz GDWGBUZPUFYOJF-GOSISDBHSA-N 2 0 334.508 1.240 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000342349053 444646038 /nfs/dbraw/zinc/64/60/38/444646038.db2.gz QKRSJIOTSUPBGW-MAUKXSAKSA-N 2 0 345.491 1.638 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)C1CC1 ZINC000338477603 444713440 /nfs/dbraw/zinc/71/34/40/444713440.db2.gz NCWQVFCKNSYMMI-QGZVFWFLSA-N 2 0 339.528 1.042 20 0 EDADRP CN1CCO[C@H]2CN(C(=O)NCc3ccc(CC[NH+](C)C)cc3)C[C@@H]21 ZINC000342502295 444719948 /nfs/dbraw/zinc/71/99/48/444719948.db2.gz FYWFTSYUXIGRHI-ROUUACIJSA-N 2 0 346.475 1.015 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000344125558 444795524 /nfs/dbraw/zinc/79/55/24/444795524.db2.gz IAQXLRSWXOYMHY-USTZCAOPSA-N 2 0 328.497 1.189 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000344174542 444822361 /nfs/dbraw/zinc/82/23/61/444822361.db2.gz QVLAFDGKHSNJGG-JFIYKMOQSA-N 2 0 333.476 1.498 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000336882348 444830228 /nfs/dbraw/zinc/83/02/28/444830228.db2.gz WKSPIKJVWHFLPY-UHFFFAOYSA-N 2 0 338.540 1.199 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])CCC(=O)OC)C1 ZINC000342764509 444854466 /nfs/dbraw/zinc/85/44/66/444854466.db2.gz IONNNQBQHAIRRL-KBPBESRZSA-N 2 0 327.469 1.284 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764273 444854853 /nfs/dbraw/zinc/85/48/53/444854853.db2.gz HARMNIPRNBGTCE-MJBXVCDLSA-N 2 0 327.469 1.140 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000341501349 444863467 /nfs/dbraw/zinc/86/34/67/444863467.db2.gz UBGANDZQJVSPDS-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)cn1 ZINC000336957045 444874421 /nfs/dbraw/zinc/87/44/21/444874421.db2.gz WVMIJBOJRKUDDH-MRXNPFEDSA-N 2 0 335.496 1.952 20 0 EDADRP Cc1nc(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N(C)C)n1 ZINC000330197961 444883830 /nfs/dbraw/zinc/88/38/30/444883830.db2.gz SNXPLYVYEOVHIB-MRXNPFEDSA-N 2 0 326.448 2.323 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[N@H+](C)[C@H]3C)CC2)c1 ZINC000344302118 444889085 /nfs/dbraw/zinc/88/90/85/444889085.db2.gz UNFCWPBNPMABQB-HOCLYGCPSA-N 2 0 347.463 1.405 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCCOC3)c2)C1 ZINC000344405016 444945136 /nfs/dbraw/zinc/94/51/36/444945136.db2.gz GDSWIZHIBKTCLZ-RTBURBONSA-N 2 0 345.487 1.900 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1nccn1C ZINC000341703227 444958857 /nfs/dbraw/zinc/95/88/57/444958857.db2.gz CVVXMYKUPFUOOY-AWEZNQCLSA-N 2 0 335.496 1.697 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000344473718 444998542 /nfs/dbraw/zinc/99/85/42/444998542.db2.gz GQOJBIMDTINQGX-DLBZAZTESA-N 2 0 340.512 1.110 20 0 EDADRP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000341784066 445001084 /nfs/dbraw/zinc/00/10/84/445001084.db2.gz ZXQNDXSNGUMPQI-GOSISDBHSA-N 2 0 344.503 1.751 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC(C)CC2)C1 ZINC000337362759 445048311 /nfs/dbraw/zinc/04/83/11/445048311.db2.gz JFGVKBCLIHWWFN-QGZVFWFLSA-N 2 0 340.512 1.374 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@H]1CCCN(C(=O)C[NH+](CC)CC)C1 ZINC000337386584 445059326 /nfs/dbraw/zinc/05/93/26/445059326.db2.gz DLBICALOYWJFRD-MRXNPFEDSA-N 2 0 340.512 1.025 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000344616502 445088459 /nfs/dbraw/zinc/08/84/59/445088459.db2.gz NKEGVLJSGXLFPZ-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079129 445047014 /nfs/dbraw/zinc/04/70/14/445047014.db2.gz OSVXNUXXLQMCJI-AZUAARDMSA-N 2 0 330.520 1.734 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337560488 445137270 /nfs/dbraw/zinc/13/72/70/445137270.db2.gz SAOXZZKBLHKGFO-WMZOPIPTSA-N 2 0 345.491 1.782 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H](c2cncn2C)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344738832 445138169 /nfs/dbraw/zinc/13/81/69/445138169.db2.gz HWYANKMULUSXKY-YOEHRIQHSA-N 2 0 333.480 1.356 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000339223555 445098334 /nfs/dbraw/zinc/09/83/34/445098334.db2.gz BVHCEURSFVNIQO-CVEARBPZSA-N 2 0 325.497 1.722 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c[nH]1 ZINC000330825761 445155899 /nfs/dbraw/zinc/15/58/99/445155899.db2.gz FNPRJMBQOOMKPH-UHFFFAOYSA-N 2 0 348.491 1.651 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342079967 445160373 /nfs/dbraw/zinc/16/03/73/445160373.db2.gz FKTDUTLEHAMLKL-YTQUADARSA-N 2 0 345.487 1.939 20 0 EDADRP COCCCNC(=O)C1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351640180 445254154 /nfs/dbraw/zinc/25/41/54/445254154.db2.gz SSVMUHLRGXCSOE-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC000347901158 445254400 /nfs/dbraw/zinc/25/44/00/445254400.db2.gz NBJSEBYEAWQZLU-USXIJHARSA-N 2 0 333.480 1.356 20 0 EDADRP C[C@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1C ZINC000343626014 445269412 /nfs/dbraw/zinc/26/94/12/445269412.db2.gz OJFFYKCJGPMUFB-MAUKXSAKSA-N 2 0 345.491 1.828 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cccc3c2CCCN3)CC1 ZINC000343649116 445282091 /nfs/dbraw/zinc/28/20/91/445282091.db2.gz WEJJEWZEPQGNRB-UHFFFAOYSA-N 2 0 330.476 1.864 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000351710194 445285252 /nfs/dbraw/zinc/28/52/52/445285252.db2.gz OETRTOBBBULPDF-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000348570609 445329290 /nfs/dbraw/zinc/32/92/90/445329290.db2.gz PHGFKIUQEGZOAP-QGZVFWFLSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000356983930 445360235 /nfs/dbraw/zinc/36/02/35/445360235.db2.gz QXXGVDGXFDTJLR-GOSISDBHSA-N 2 0 339.524 1.924 20 0 EDADRP C[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000348870928 445424758 /nfs/dbraw/zinc/42/47/58/445424758.db2.gz GKKFGKCVVKPVRW-QGZVFWFLSA-N 2 0 344.503 1.187 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351924069 445379071 /nfs/dbraw/zinc/37/90/71/445379071.db2.gz CHXYXZCXFSKMMC-OAHLLOKOSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000349006147 445472879 /nfs/dbraw/zinc/47/28/79/445472879.db2.gz SYAVJKCOXNQQKG-OAHLLOKOSA-N 2 0 331.460 1.707 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566021 445443298 /nfs/dbraw/zinc/44/32/98/445443298.db2.gz DVYCIXVZAIXHNT-CABCVRRESA-N 2 0 331.464 1.291 20 0 EDADRP Cc1cnn(C)c1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348932100 445445696 /nfs/dbraw/zinc/44/56/96/445445696.db2.gz DHWBZRQFVCYDFW-UHFFFAOYSA-N 2 0 347.507 1.543 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746248 445529676 /nfs/dbraw/zinc/52/96/76/445529676.db2.gz SYJPCUCGWWNBED-YJBOKZPZSA-N 2 0 333.476 1.831 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000352102920 445493441 /nfs/dbraw/zinc/49/34/41/445493441.db2.gz VIFTZYLMCYOKFC-CRAIPNDOSA-N 2 0 348.491 1.113 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000352112067 445499775 /nfs/dbraw/zinc/49/97/75/445499775.db2.gz QCSHVHBDLNXKLB-UYAOXDASSA-N 2 0 347.503 1.860 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000362799612 445555543 /nfs/dbraw/zinc/55/55/43/445555543.db2.gz WVKQVDUGDIFCST-DLBZAZTESA-N 2 0 345.491 1.612 20 0 EDADRP COCC[NH+](CCOC)C1CCN(CC[NH+]2CCCCC2)CC1 ZINC000353027508 445572278 /nfs/dbraw/zinc/57/22/78/445572278.db2.gz XRZAJCXVIMJCQY-UHFFFAOYSA-N 2 0 327.513 1.532 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000353470319 445616032 /nfs/dbraw/zinc/61/60/32/445616032.db2.gz QPQJNQOZWCRPJY-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(c1ccc(-n2ccnc2)nc1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362964853 445630066 /nfs/dbraw/zinc/63/00/66/445630066.db2.gz QXFQSIJEKJFSBG-MRXNPFEDSA-N 2 0 325.416 1.968 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521194 445631242 /nfs/dbraw/zinc/63/12/42/445631242.db2.gz XIRBWPLLINZPPK-AWEZNQCLSA-N 2 0 336.480 1.609 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358658422 445697590 /nfs/dbraw/zinc/69/75/90/445697590.db2.gz DZHIZGGHBAFLEU-HKUYNNGSSA-N 2 0 348.491 1.435 20 0 EDADRP COC1(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCCCC1 ZINC000353668998 445700279 /nfs/dbraw/zinc/70/02/79/445700279.db2.gz HIBDWXWSPCKUMI-UHFFFAOYSA-N 2 0 325.497 1.918 20 0 EDADRP CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)OC ZINC000360594127 445716198 /nfs/dbraw/zinc/71/61/98/445716198.db2.gz CGQODLZVKCZSNB-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C1 ZINC000349933645 445725770 /nfs/dbraw/zinc/72/57/70/445725770.db2.gz LWEQJSIBWUKJIU-SOLBZPMBSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000349933634 445725808 /nfs/dbraw/zinc/72/58/08/445725808.db2.gz LUBIPIHZNORTBK-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000361466041 445773319 /nfs/dbraw/zinc/77/33/19/445773319.db2.gz UQCVVYCUKDSXKQ-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)NCCNc1cc[nH+]cc1 ZINC000350047782 445756301 /nfs/dbraw/zinc/75/63/01/445756301.db2.gz JNDAJIMMBRKRFS-UHFFFAOYSA-N 2 0 333.480 1.871 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)nc2)CC1 ZINC000363316652 445762766 /nfs/dbraw/zinc/76/27/66/445762766.db2.gz NTJVYSXWWHFIKG-CVEARBPZSA-N 2 0 343.475 1.646 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1C ZINC000356479890 445814315 /nfs/dbraw/zinc/81/43/15/445814315.db2.gz QLUIVMHLIRTSPV-CVEARBPZSA-N 2 0 348.491 1.759 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)[C@H](C)C1 ZINC000361629027 445855907 /nfs/dbraw/zinc/85/59/07/445855907.db2.gz XGVCMYBZEKMURK-RHSMWYFYSA-N 2 0 334.464 1.407 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000363556306 445857445 /nfs/dbraw/zinc/85/74/45/445857445.db2.gz ATQXHOIQXMSRGR-BZSNNMDCSA-N 2 0 334.508 1.844 20 0 EDADRP CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000361799129 445954780 /nfs/dbraw/zinc/95/47/80/445954780.db2.gz PKKXJVGAJMSFIB-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@H]2C)C1 ZINC000354178206 445974138 /nfs/dbraw/zinc/97/41/38/445974138.db2.gz JYKBFHAQCBRSHU-IXDOHACOSA-N 2 0 340.512 1.061 20 0 EDADRP c1nc(NC[C@H]2CN3CCCC[C@H]3CO2)cc(N2CCSCC2)n1 ZINC000372970370 445950670 /nfs/dbraw/zinc/95/06/70/445950670.db2.gz SXIIOHUWNBDSBW-GJZGRUSLSA-N 2 0 349.504 1.695 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000354226979 446024051 /nfs/dbraw/zinc/02/40/51/446024051.db2.gz HDCZFPVDMZBDRG-HUUCEWRRSA-N 2 0 347.463 1.405 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000583140998 326010679 /nfs/dbraw/zinc/01/06/79/326010679.db2.gz SQNXQCQCQHIQSQ-QGZVFWFLSA-N 2 0 335.448 1.756 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198816 326024570 /nfs/dbraw/zinc/02/45/70/326024570.db2.gz JLYBHMVHQJDNAW-FCEWJHQRSA-N 2 0 335.492 1.308 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000583198817 326024621 /nfs/dbraw/zinc/02/46/21/326024621.db2.gz JLYBHMVHQJDNAW-GPMSIDNRSA-N 2 0 335.492 1.308 20 0 EDADRP O[C@H](CCc1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000583258829 326035656 /nfs/dbraw/zinc/03/56/56/326035656.db2.gz UDWBGDSUYOJXMZ-AQNXPRMDSA-N 2 0 332.488 1.948 20 0 EDADRP Cc1c(C(=O)NCC[NH+]2CCCCCC2)nnn1C1CC[NH2+]CC1 ZINC000583561670 326096202 /nfs/dbraw/zinc/09/62/02/326096202.db2.gz KNBBFTBHNGESGN-UHFFFAOYSA-N 2 0 334.468 1.117 20 0 EDADRP CCn1ccnc1C[N@H+](CC1CC[NH2+]CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000583565012 326097122 /nfs/dbraw/zinc/09/71/22/326097122.db2.gz NBVHOAXWMXQAEM-QGZVFWFLSA-N 3 0 331.508 1.847 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000583807562 326143235 /nfs/dbraw/zinc/14/32/35/326143235.db2.gz QPCWQZQUOHGOPP-AEFFLSMTSA-N 2 0 334.460 1.950 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000584162510 326211524 /nfs/dbraw/zinc/21/15/24/326211524.db2.gz WHGQFKWIWIYSNY-SJLPKXTDSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@]1([NH2+]C[C@H](O)C[NH2+][C@@]2(C)CCO[C@@H]2C2CC2)CCO[C@@H]1C1CC1 ZINC000369327117 446076310 /nfs/dbraw/zinc/07/63/10/446076310.db2.gz OMMMPTFABRLXTG-IEWDOMPSSA-N 2 0 338.492 1.442 20 0 EDADRP COc1cc(NC(=O)CC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1OC ZINC000359279595 446116125 /nfs/dbraw/zinc/11/61/25/446116125.db2.gz PCCQNZBTCGIRRA-CHWSQXEVSA-N 2 0 349.431 1.192 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366269995 446118334 /nfs/dbraw/zinc/11/83/34/446118334.db2.gz VRJWDWPJZBHGRX-WMZOPIPTSA-N 2 0 338.496 1.080 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000359358651 446172435 /nfs/dbraw/zinc/17/24/35/446172435.db2.gz IBWUZVLYXNTTQV-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)CC1 ZINC000366397071 446193097 /nfs/dbraw/zinc/19/30/97/446193097.db2.gz DLAWHDZUSFFLPA-IRXDYDNUSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000359372101 446180838 /nfs/dbraw/zinc/18/08/38/446180838.db2.gz TVOKWPUFRGOAJA-UHFFFAOYSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000354417546 446190331 /nfs/dbraw/zinc/19/03/31/446190331.db2.gz CABKLWCILGBNJR-MSOLQXFVSA-N 2 0 333.476 1.686 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000351623073 446215958 /nfs/dbraw/zinc/21/59/58/446215958.db2.gz GJOURYBVBKHDPS-WKULXVSPSA-N 2 0 337.508 1.863 20 0 EDADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000373733671 446317075 /nfs/dbraw/zinc/31/70/75/446317075.db2.gz NEHQGKNSODBWPC-OAHLLOKOSA-N 2 0 334.464 1.669 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[NH+](C)C)cc1 ZINC000417311177 446343405 /nfs/dbraw/zinc/34/34/05/446343405.db2.gz LLFNMMIQYJIJCB-KGLIPLIRSA-N 2 0 328.407 1.879 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000370601552 446351489 /nfs/dbraw/zinc/35/14/89/446351489.db2.gz ACMVHRBJYMNVNN-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000370612066 446357885 /nfs/dbraw/zinc/35/78/85/446357885.db2.gz HXHOSUXRYPAHPM-IBGZPJMESA-N 2 0 327.472 1.893 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417510609 446358266 /nfs/dbraw/zinc/35/82/66/446358266.db2.gz XJKGMPZVSCCAON-ZWKOTPCHSA-N 2 0 330.476 1.460 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516668 446360644 /nfs/dbraw/zinc/36/06/44/446360644.db2.gz OHUZRCFNNVKCDF-SJLPKXTDSA-N 2 0 348.491 1.605 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417524493 446361239 /nfs/dbraw/zinc/36/12/39/446361239.db2.gz SKKWAWUTHVPOGH-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417581338 446365436 /nfs/dbraw/zinc/36/54/36/446365436.db2.gz HHTYPAVNFCHBAL-HNNXBMFYSA-N 2 0 340.512 1.789 20 0 EDADRP CCN(C)C(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370633993 446366032 /nfs/dbraw/zinc/36/60/32/446366032.db2.gz HVFJZGLJEQPZCN-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)CCC(F)(F)F ZINC000418061798 446428363 /nfs/dbraw/zinc/42/83/63/446428363.db2.gz AYISHDLDUGYHMD-BETUJISGSA-N 2 0 336.402 1.797 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411239561 446438007 /nfs/dbraw/zinc/43/80/07/446438007.db2.gz GGLLUFLFHRMGMC-UHFFFAOYSA-N 2 0 348.491 1.843 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418168898 446443848 /nfs/dbraw/zinc/44/38/48/446443848.db2.gz MMKUCZIBTGGVNJ-AWEZNQCLSA-N 2 0 334.464 1.648 20 0 EDADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420286808 446453304 /nfs/dbraw/zinc/45/33/04/446453304.db2.gz FQOKNDBNENSJHN-HOCLYGCPSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006674 446413463 /nfs/dbraw/zinc/41/34/63/446413463.db2.gz MOPBJNXEXNCDDP-JZXOWHBKSA-N 2 0 330.476 1.900 20 0 EDADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766825 446425690 /nfs/dbraw/zinc/42/56/90/446425690.db2.gz OTQYUNDJPQOSJI-GOEBONIOSA-N 2 0 346.479 1.292 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000418202899 446455289 /nfs/dbraw/zinc/45/52/89/446455289.db2.gz JPAINUAVDYRRRS-YJBOKZPZSA-N 2 0 348.491 1.985 20 0 EDADRP CN1CCN(C2CC[NH+](CCCO[C@@H]3CCCCO3)CC2)C(=O)C1 ZINC000374931501 446465760 /nfs/dbraw/zinc/46/57/60/446465760.db2.gz QKFQEQQPTIXZIC-GOSISDBHSA-N 2 0 339.480 1.158 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423302616 446480261 /nfs/dbraw/zinc/48/02/61/446480261.db2.gz VWVBPJIEJULEIC-DOTOQJQBSA-N 2 0 341.459 1.909 20 0 EDADRP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420322258 446488215 /nfs/dbraw/zinc/48/82/15/446488215.db2.gz SHDJSZXFTVDAJU-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000423330116 446492145 /nfs/dbraw/zinc/49/21/45/446492145.db2.gz LXOKWDZYXLUEPZ-GASCZTMLSA-N 2 0 331.460 1.522 20 0 EDADRP O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420323844 446488999 /nfs/dbraw/zinc/48/89/99/446488999.db2.gz UMIULVNJWNITJC-MRXNPFEDSA-N 2 0 333.451 1.902 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423334004 446493576 /nfs/dbraw/zinc/49/35/76/446493576.db2.gz QFTMLARFYMTEKO-HUUCEWRRSA-N 2 0 333.480 1.491 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418330634 446502334 /nfs/dbraw/zinc/50/23/34/446502334.db2.gz QJXHVKYTBZZMOF-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420330247 446499236 /nfs/dbraw/zinc/49/92/36/446499236.db2.gz AOQYSEQNJLJTFZ-ZWKOTPCHSA-N 2 0 345.487 1.812 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423361084 446499481 /nfs/dbraw/zinc/49/94/81/446499481.db2.gz GPPXRMINHRHNJU-KHYOSLBOSA-N 2 0 342.443 1.074 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420383523 446559287 /nfs/dbraw/zinc/55/92/87/446559287.db2.gz QWYAFUNLMZPWIZ-FUHWJXTLSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000418480914 446559300 /nfs/dbraw/zinc/55/93/00/446559300.db2.gz CXCPTFOPHYNRDX-OAHLLOKOSA-N 2 0 346.475 1.713 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)cc1 ZINC000418483943 446561270 /nfs/dbraw/zinc/56/12/70/446561270.db2.gz FYEOVVOWFSHXKX-SOUVJXGZSA-N 2 0 334.464 1.303 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]23CCC[C@@H]2C[N@H+](Cc2ccccc2)C3)CCO1 ZINC000423535600 446565254 /nfs/dbraw/zinc/56/52/54/446565254.db2.gz DNPAKEYFSYDLOK-QWFCFKBJSA-N 2 0 343.471 1.475 20 0 EDADRP CN(C(=O)NC[C@@H]1CCC[NH2+]1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000418374787 446519555 /nfs/dbraw/zinc/51/95/55/446519555.db2.gz SRJYMSRHMKFWEO-LBPRGKRZSA-N 2 0 336.402 1.797 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423404852 446519979 /nfs/dbraw/zinc/51/99/79/446519979.db2.gz ZJNFOCCFIQQEET-HLLBOEOZSA-N 2 0 333.480 1.800 20 0 EDADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420347481 446523926 /nfs/dbraw/zinc/52/39/26/446523926.db2.gz GWABLBOKYAWVQF-YJBOKZPZSA-N 2 0 348.466 1.325 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423423614 446529927 /nfs/dbraw/zinc/52/99/27/446529927.db2.gz ZWXQZRQJRMQFSI-HOTGVXAUSA-N 2 0 345.491 1.871 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000418398213 446529977 /nfs/dbraw/zinc/52/99/77/446529977.db2.gz KLHXMSDTULCBJS-JKIFEVAISA-N 2 0 338.496 1.255 20 0 EDADRP Cc1ccccc1C[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352219 446532050 /nfs/dbraw/zinc/53/20/50/446532050.db2.gz ZEILGZIWJJKMQY-IEBWSBKVSA-N 2 0 344.503 1.022 20 0 EDADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433379743 446567232 /nfs/dbraw/zinc/56/72/32/446567232.db2.gz VTEDDIIGZPAQQC-MRXNPFEDSA-N 2 0 346.479 1.293 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1F)C[C@H](O)C[NH3+] ZINC000420354117 446534074 /nfs/dbraw/zinc/53/40/74/446534074.db2.gz ODRWFHPOKOJCFN-SNVBAGLBSA-N 2 0 348.216 1.168 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418417278 446537685 /nfs/dbraw/zinc/53/76/85/446537685.db2.gz UYWDLAMVPBMWMV-GDBMZVCRSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(N2CCCCC2=O)CC1 ZINC000420358001 446538301 /nfs/dbraw/zinc/53/83/01/446538301.db2.gz IOLCXAXGNMGUGC-OALUTQOASA-N 2 0 345.487 1.394 20 0 EDADRP Cc1ccc2[nH]c(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)nc2c1 ZINC000433152459 446538589 /nfs/dbraw/zinc/53/85/89/446538589.db2.gz RQKVTEOYNCPEOH-UHFFFAOYSA-N 2 0 329.448 1.691 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418435377 446542059 /nfs/dbraw/zinc/54/20/59/446542059.db2.gz WHWLLSRZJMFRRQ-UAGQMJEPSA-N 2 0 340.512 1.238 20 0 EDADRP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367319 446546625 /nfs/dbraw/zinc/54/66/25/446546625.db2.gz VJQGTUUBAXZIKB-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418450326 446547032 /nfs/dbraw/zinc/54/70/32/446547032.db2.gz TXCRERMPVBLDEI-NVXWUHKLSA-N 2 0 340.512 1.395 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420369966 446548042 /nfs/dbraw/zinc/54/80/42/446548042.db2.gz VNAMYTPQTVJPBG-OAHLLOKOSA-N 2 0 326.462 1.447 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433391770 446567804 /nfs/dbraw/zinc/56/78/04/446567804.db2.gz XEQLGXORSSIULX-BFYDXBDKSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCOCC2(CCOCC2)C1 ZINC000420376761 446554994 /nfs/dbraw/zinc/55/49/94/446554994.db2.gz RFUFIDBXGRKABG-ROUUACIJSA-N 2 0 334.460 1.046 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433336207 446555686 /nfs/dbraw/zinc/55/56/86/446555686.db2.gz UKDUCSAPJWMWRA-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[NH+](CC3CC3)CC2)CCCO1 ZINC000433464113 446577800 /nfs/dbraw/zinc/57/78/00/446577800.db2.gz VIYAKGWGOZGXTI-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1 ZINC000371020871 446579478 /nfs/dbraw/zinc/57/94/78/446579478.db2.gz WIDLWKLKJONTLD-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000418548269 446588925 /nfs/dbraw/zinc/58/89/25/446588925.db2.gz ZEMTULRAJDOBFZ-GVDBMIGSSA-N 3 0 339.528 1.184 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418559998 446593286 /nfs/dbraw/zinc/59/32/86/446593286.db2.gz CVPOLYIHBNBZPD-ARFHVFGLSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574409 446600935 /nfs/dbraw/zinc/60/09/35/446600935.db2.gz VIXVSJXNGRVCGU-LFIJZLDSSA-N 2 0 326.391 1.445 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418593580 446607367 /nfs/dbraw/zinc/60/73/67/446607367.db2.gz MHGJPICGZPYBMS-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP CC[N@H+](CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1)CC(C)C ZINC000418666960 446642254 /nfs/dbraw/zinc/64/22/54/446642254.db2.gz FWERXWVEOVMJNM-PIIMJCKOSA-N 2 0 336.524 1.994 20 0 EDADRP CCn1ccnc1CN(C(=O)C[C@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000376687715 446651592 /nfs/dbraw/zinc/65/15/92/446651592.db2.gz IKLBKOPKAVZGNT-CVEARBPZSA-N 2 0 345.491 1.516 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](C2CCCCC2)CC1 ZINC000423709381 446652727 /nfs/dbraw/zinc/65/27/27/446652727.db2.gz IPKWDFBHVNGCFA-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N3CC[NH+]4CCC3CC4)CC2)CC1 ZINC000375229968 446657949 /nfs/dbraw/zinc/65/79/49/446657949.db2.gz SJJYVEINLBOJOT-UHFFFAOYSA-N 2 0 349.523 1.035 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418737785 446660756 /nfs/dbraw/zinc/66/07/56/446660756.db2.gz WCIAULPDGMBTCZ-DOTOQJQBSA-N 2 0 333.480 1.815 20 0 EDADRP COC[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000376703931 446663905 /nfs/dbraw/zinc/66/39/05/446663905.db2.gz QQYIETSYBSPEBB-HOTGVXAUSA-N 2 0 333.476 1.780 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000418743248 446664511 /nfs/dbraw/zinc/66/45/11/446664511.db2.gz SHPCNBNIMJMDKF-CHWSQXEVSA-N 2 0 336.427 1.111 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418755368 446674812 /nfs/dbraw/zinc/67/48/12/446674812.db2.gz FUYSCAMDVCDPRU-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP CC[C@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423640556 446622259 /nfs/dbraw/zinc/62/22/59/446622259.db2.gz VXCXYLMEMHMBLS-IEBWSBKVSA-N 2 0 333.476 1.782 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418636017 446627194 /nfs/dbraw/zinc/62/71/94/446627194.db2.gz LRQJZRHMUZDYGY-QXAKKESOSA-N 2 0 342.487 1.999 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423665416 446631647 /nfs/dbraw/zinc/63/16/47/446631647.db2.gz HJXWMSKPERXOID-MOPGFXCFSA-N 2 0 343.471 1.633 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000423805098 446698785 /nfs/dbraw/zinc/69/87/85/446698785.db2.gz SDGFSNLLDGOZBQ-MRXNPFEDSA-N 2 0 333.480 1.198 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+](C2CCC2)C1 ZINC000418805697 446713024 /nfs/dbraw/zinc/71/30/24/446713024.db2.gz XYPMSBMVGCMHDC-VVLHAWIVSA-N 2 0 334.508 1.890 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000371263758 446723773 /nfs/dbraw/zinc/72/37/73/446723773.db2.gz CXSHXUHFGRPRJS-IBGZPJMESA-N 2 0 348.466 1.012 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)c1cnn(C)c1 ZINC000411820593 446681035 /nfs/dbraw/zinc/68/10/35/446681035.db2.gz HYNQBNFIWFCKAR-FUHWJXTLSA-N 2 0 349.523 1.788 20 0 EDADRP Cc1cn2c(n1)[C@@H](CNc1ccnc(N3CCOCC3)n1)CCC2 ZINC000368284493 446758772 /nfs/dbraw/zinc/75/87/72/446758772.db2.gz OEHPHFBLDKOIRY-CQSZACIVSA-N 2 0 328.420 1.808 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423919748 446768233 /nfs/dbraw/zinc/76/82/33/446768233.db2.gz UVLMNMYIPDMDAX-FQEVSTJZSA-N 2 0 327.472 1.908 20 0 EDADRP CN(CCCn1ccnc1)C(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000376879422 446772382 /nfs/dbraw/zinc/77/23/82/446772382.db2.gz DXNRICBCBCLVNW-UHFFFAOYSA-N 2 0 344.463 1.470 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000376980861 446837154 /nfs/dbraw/zinc/83/71/54/446837154.db2.gz URRZZNUULOEOCA-XNIRIUNOSA-N 2 0 338.496 1.100 20 0 EDADRP Cn1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424084394 446843133 /nfs/dbraw/zinc/84/31/33/446843133.db2.gz YGLZQPDFNGZIPP-HNNXBMFYSA-N 2 0 345.491 1.491 20 0 EDADRP CN(Cc1ncccn1)[C@@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423984972 446806654 /nfs/dbraw/zinc/80/66/54/446806654.db2.gz CNKBTIROLMYFKC-MRXNPFEDSA-N 2 0 345.491 1.809 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000419003610 446859555 /nfs/dbraw/zinc/85/95/55/446859555.db2.gz QNDNDXMXHOSVAA-DLBZAZTESA-N 2 0 346.475 1.011 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000424455898 446876091 /nfs/dbraw/zinc/87/60/91/446876091.db2.gz UTSTZXLFXFISAQ-ZACQAIPSSA-N 2 0 340.512 1.693 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1)CC(C)C ZINC000419123142 446936210 /nfs/dbraw/zinc/93/62/10/446936210.db2.gz GIZQWXYRAVTFHP-JYJNAYRXSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)CC(C)C ZINC000419125899 446937732 /nfs/dbraw/zinc/93/77/32/446937732.db2.gz LFHUCEWFPCYRLM-GPANFISMSA-N 2 0 340.512 1.245 20 0 EDADRP CC[N@@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)[C@H](C)C1 ZINC000412339927 446940512 /nfs/dbraw/zinc/94/05/12/446940512.db2.gz QDPFFNRVRCUSPE-ZBFHGGJFSA-N 2 0 325.522 1.757 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+])CC(C)C ZINC000419123898 446938266 /nfs/dbraw/zinc/93/82/66/446938266.db2.gz HHEBRSVOPJJQME-HRCADAONSA-N 2 0 340.512 1.103 20 0 EDADRP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420982018 446955785 /nfs/dbraw/zinc/95/57/85/446955785.db2.gz OBKOLGVEDFXTPX-QGZVFWFLSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000419166600 446984475 /nfs/dbraw/zinc/98/44/75/446984475.db2.gz HOLSOEBSYKTQQC-CVEARBPZSA-N 2 0 340.512 1.055 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCc2cnn(-c3ccccc3)c2)C1 ZINC000443059390 447002282 /nfs/dbraw/zinc/00/22/82/447002282.db2.gz MOWSETGYCNIGNV-MRXNPFEDSA-N 2 0 341.459 1.549 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H](C)N1CCO ZINC000368675149 447025278 /nfs/dbraw/zinc/02/52/78/447025278.db2.gz GVNUOFKIOYZNSK-JKIFEVAISA-N 2 0 329.460 1.112 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CN(C)CC(=O)NCC(C)C)[C@@H]1c1cnn(C)c1 ZINC000372530148 447114005 /nfs/dbraw/zinc/11/40/05/447114005.db2.gz HCDXPDHOQVHBFV-QFBILLFUSA-N 2 0 349.523 1.897 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829260 447086021 /nfs/dbraw/zinc/08/60/21/447086021.db2.gz FSRUGZJDPYIOFK-RTBURBONSA-N 2 0 347.503 1.527 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(C(N)=O)cc3)C2)CC1 ZINC000375902511 447135275 /nfs/dbraw/zinc/13/52/75/447135275.db2.gz FRRBZYBRYZNSJK-GOSISDBHSA-N 2 0 330.476 1.386 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000375908131 447138947 /nfs/dbraw/zinc/13/89/47/447138947.db2.gz VFXLCWPSOOAPIU-VQTJNVASSA-N 2 0 331.504 1.994 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]C3CCC([NH+](C)C)CC3)cn2)CC1 ZINC000421378471 447144329 /nfs/dbraw/zinc/14/43/29/447144329.db2.gz VFYHUACNDAVRNJ-UHFFFAOYSA-N 2 0 332.496 1.191 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419403718 447153775 /nfs/dbraw/zinc/15/37/75/447153775.db2.gz QLYGAVAONWVCNT-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486281 447157317 /nfs/dbraw/zinc/15/73/17/447157317.db2.gz FNJRTXWZSUJWRF-GJZGRUSLSA-N 2 0 347.463 1.747 20 0 EDADRP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000368817654 447130164 /nfs/dbraw/zinc/13/01/64/447130164.db2.gz NSZVJOJPZFANBL-FJIDUMEYSA-N 2 0 329.444 1.368 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000425473155 447180880 /nfs/dbraw/zinc/18/08/80/447180880.db2.gz XEVJUPYFRTWVED-HOTGVXAUSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419446430 447181977 /nfs/dbraw/zinc/18/19/77/447181977.db2.gz VJAYUISCWBCHMX-JKSUJKDBSA-N 2 0 348.491 1.345 20 0 EDADRP C[NH+](C)C1(CNc2cc(NCC3([NH+](C)C)CCC3)ncn2)CCC1 ZINC000445604720 447184620 /nfs/dbraw/zinc/18/46/20/447184620.db2.gz MGYGIBADPQGHKO-UHFFFAOYSA-N 2 0 332.496 2.269 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C[N@@H+]1CCO ZINC000419452369 447187107 /nfs/dbraw/zinc/18/71/07/447187107.db2.gz OZXWRFCQAZHOLX-PMPSAXMXSA-N 2 0 342.528 1.449 20 0 EDADRP CCC[NH+]1CCC(N2CCN(Cc3nnc(CC)n3C)CC2)CC1 ZINC000372625847 447192148 /nfs/dbraw/zinc/19/21/48/447192148.db2.gz RXUQOJAPVXBEDH-UHFFFAOYSA-N 2 0 334.512 1.370 20 0 EDADRP C[C@H]1COCCN1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505368 447199434 /nfs/dbraw/zinc/19/94/34/447199434.db2.gz YIWNNNJDOUQJHC-YSIASYRMSA-N 2 0 329.488 1.913 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@@H+]1C ZINC000445925590 447208400 /nfs/dbraw/zinc/20/84/00/447208400.db2.gz OLWVUIRPGQPUNW-HOCLYGCPSA-N 2 0 346.475 1.328 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431275 447170393 /nfs/dbraw/zinc/17/03/93/447170393.db2.gz XEBFKTOGVVURTP-OWCLPIDISA-N 2 0 340.512 1.104 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCCC[C@@H]1C ZINC000419430888 447170979 /nfs/dbraw/zinc/17/09/79/447170979.db2.gz WNBHEBLNXKCYAS-MWDXBVQZSA-N 2 0 340.512 1.346 20 0 EDADRP C[N@H+](CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)C1CCCCC1 ZINC000446258629 447247589 /nfs/dbraw/zinc/24/75/89/447247589.db2.gz NVNFQQBUEQFDMA-JTDSTZFVSA-N 2 0 337.508 1.900 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)CC1 ZINC000368972665 447236884 /nfs/dbraw/zinc/23/68/84/447236884.db2.gz HFMAFXPNIUWPOB-OAHLLOKOSA-N 2 0 337.430 1.790 20 0 EDADRP CN(C)c1ncc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)n1C ZINC000414311322 447291103 /nfs/dbraw/zinc/29/11/03/447291103.db2.gz MKRJVBRQXKFDIA-UHFFFAOYSA-N 2 0 331.464 1.716 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000383344398 447466081 /nfs/dbraw/zinc/46/60/81/447466081.db2.gz LWQKUTHYSLAARS-MSOLQXFVSA-N 2 0 331.460 1.393 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458730442 447466308 /nfs/dbraw/zinc/46/63/08/447466308.db2.gz FVFVLBVLXPPSPA-HZPDHXFCSA-N 2 0 340.512 1.253 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc(Cl)c(CN(C)C)c1 ZINC000415515732 447490824 /nfs/dbraw/zinc/49/08/24/447490824.db2.gz DAOWCBATLRXZJC-UHFFFAOYSA-N 2 0 340.855 1.456 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390884365 447505041 /nfs/dbraw/zinc/50/50/41/447505041.db2.gz VDODGLIGALKYCA-AZUAARDMSA-N 3 0 346.519 1.161 20 0 EDADRP COc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC(F)F ZINC000391059127 447509745 /nfs/dbraw/zinc/50/97/45/447509745.db2.gz OZCYBNWPMIUPNA-UHFFFAOYSA-N 2 0 329.391 1.634 20 0 EDADRP CN(C)c1nccc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)n1 ZINC000391089903 447510155 /nfs/dbraw/zinc/51/01/55/447510155.db2.gz YGWDWXLYGXUYGT-KRWDZBQOSA-N 2 0 341.459 2.246 20 0 EDADRP CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000420013449 447545815 /nfs/dbraw/zinc/54/58/15/447545815.db2.gz LEURMDZVIZAPNI-HLLBOEOZSA-N 2 0 346.475 1.134 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397588809 447551126 /nfs/dbraw/zinc/55/11/26/447551126.db2.gz KZWUAPHOMFFLOX-KRWDZBQOSA-N 2 0 331.460 1.081 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000427264796 447571638 /nfs/dbraw/zinc/57/16/38/447571638.db2.gz IZMHUVXNOFWEMB-HOTGVXAUSA-N 2 0 344.459 1.322 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000416837101 447694376 /nfs/dbraw/zinc/69/43/76/447694376.db2.gz WMLYNWUONJARBH-HUUCEWRRSA-N 2 0 326.485 1.399 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416852931 447696443 /nfs/dbraw/zinc/69/64/43/447696443.db2.gz SSYIEMXNZYVIIF-QUCCMNQESA-N 2 0 344.503 1.944 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000416886396 447701515 /nfs/dbraw/zinc/70/15/15/447701515.db2.gz NQSJSMKJIZTIJB-SFHVURJKSA-N 2 0 348.491 1.706 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C[NH+]1CCCCC1 ZINC000457903871 447666437 /nfs/dbraw/zinc/66/64/37/447666437.db2.gz GAMGHLYOPULICM-IRXDYDNUSA-N 2 0 340.512 1.254 20 0 EDADRP CC[C@@H]1[C@H](CO)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451262277 447717273 /nfs/dbraw/zinc/71/72/73/447717273.db2.gz XEKVJBDHAIINOP-RCCFBDPRSA-N 2 0 333.476 1.498 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000416941886 447718093 /nfs/dbraw/zinc/71/80/93/447718093.db2.gz KPWWUCYXBNWIED-XHSDSOJGSA-N 2 0 326.485 1.269 20 0 EDADRP CCCN(C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1)[C@@H]1CC[NH2+]C1 ZINC000416941661 447718136 /nfs/dbraw/zinc/71/81/36/447718136.db2.gz ANOWKOGSBHFUDY-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722711 447728798 /nfs/dbraw/zinc/72/87/98/447728798.db2.gz YOLBIOZSRNUROA-RLLQIKCJSA-N 2 0 331.504 1.908 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422735583 447732930 /nfs/dbraw/zinc/73/29/30/447732930.db2.gz WFKVYKJDZORLAL-JSGCOSHPSA-N 2 0 340.265 1.896 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417090342 447735186 /nfs/dbraw/zinc/73/51/86/447735186.db2.gz VWXPIQGFQPKVIS-OAHLLOKOSA-N 2 0 332.492 1.978 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(S(=O)(=O)NC(C)C)c1 ZINC000422745688 447736529 /nfs/dbraw/zinc/73/65/29/447736529.db2.gz YFPMPHXPQCPZMM-HNNXBMFYSA-N 2 0 343.493 1.217 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000422761963 447742903 /nfs/dbraw/zinc/74/29/03/447742903.db2.gz NFLRQHDGJKVWDU-WMZOPIPTSA-N 2 0 333.476 1.615 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000422839158 447765923 /nfs/dbraw/zinc/76/59/23/447765923.db2.gz PQIHGAWIBOQDCN-IAGOWNOFSA-N 2 0 325.497 1.628 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422876936 447770168 /nfs/dbraw/zinc/77/01/68/447770168.db2.gz GUMHRBWJZGUKEO-BDXSIMOUSA-N 2 0 336.524 1.439 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)ccc1OCC(=O)N(C)C ZINC000422943670 447777893 /nfs/dbraw/zinc/77/78/93/447777893.db2.gz QXYCOMFIBILSKS-OAHLLOKOSA-N 2 0 335.448 1.394 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000430558416 447778934 /nfs/dbraw/zinc/77/89/34/447778934.db2.gz APVHSBDNRFFDPE-UHFFFAOYSA-N 2 0 325.497 1.903 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000430561007 447779544 /nfs/dbraw/zinc/77/95/44/447779544.db2.gz YFDKPUWOQQSXGO-UHFFFAOYSA-N 2 0 344.503 1.487 20 0 EDADRP O[C@H](CN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCCC1 ZINC000422971657 447784647 /nfs/dbraw/zinc/78/46/47/447784647.db2.gz JIAOYUGVUKYKAQ-YVWKXTFCSA-N 2 0 345.487 1.679 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021251 447790011 /nfs/dbraw/zinc/79/00/11/447790011.db2.gz BGWFYRGSWIUPAN-CQSZACIVSA-N 2 0 345.443 1.860 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000423000405 447790244 /nfs/dbraw/zinc/79/02/44/447790244.db2.gz GSWWCCZPZYOXOI-GVDBMIGSSA-N 2 0 348.443 1.729 20 0 EDADRP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1S(C)(=O)=O ZINC000423080236 447801095 /nfs/dbraw/zinc/80/10/95/447801095.db2.gz ZFFPYGFMVWVQLY-RDJZCZTQSA-N 2 0 338.473 1.255 20 0 EDADRP CN(CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423102532 447805061 /nfs/dbraw/zinc/80/50/61/447805061.db2.gz WYSXVKYNCDDJPJ-BBRMVZONSA-N 2 0 343.468 1.553 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C)CC[NH2+]CC1 ZINC000423109952 447806903 /nfs/dbraw/zinc/80/69/03/447806903.db2.gz UIAWLWHTYNGOJY-SOUVJXGZSA-N 2 0 344.496 1.055 20 0 EDADRP CC(C)CCOc1ccccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000575981760 447941579 /nfs/dbraw/zinc/94/15/79/447941579.db2.gz XZMLTHNSQBSSPC-IBGZPJMESA-N 2 0 349.519 1.809 20 0 EDADRP CN1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)[C@@H](C[NH3+])C1 ZINC000576037961 447955467 /nfs/dbraw/zinc/95/54/67/447955467.db2.gz IZTGIHNVZFNOKR-AEFFLSMTSA-N 2 0 348.466 1.139 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000569920323 447918463 /nfs/dbraw/zinc/91/84/63/447918463.db2.gz GFBOWKQIQRKRBB-AEFFLSMTSA-N 2 0 335.492 1.208 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2nnnn2-c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552055508 447931073 /nfs/dbraw/zinc/93/10/73/447931073.db2.gz QVIJGUUPLOWVTO-YESZJQIVSA-N 2 0 326.448 1.667 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000525248948 447983235 /nfs/dbraw/zinc/98/32/35/447983235.db2.gz JMULAEYDJVSTIN-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000576230925 448005521 /nfs/dbraw/zinc/00/55/21/448005521.db2.gz SUKAXCMPOZZKJF-ZWKOTPCHSA-N 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C[C@@H]([NH2+]CC(C)(C)[NH3+])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305959 448059637 /nfs/dbraw/zinc/05/96/37/448059637.db2.gz LQTFIIDZQNNBQP-GDBMZVCRSA-N 2 0 335.448 1.739 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000531489694 448093178 /nfs/dbraw/zinc/09/31/78/448093178.db2.gz OFDJVVSWWWSSQN-HNNXBMFYSA-N 2 0 349.450 1.737 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000531708764 448130250 /nfs/dbraw/zinc/13/02/50/448130250.db2.gz WZVSSIQASJFWGB-IAGOWNOFSA-N 2 0 345.491 1.050 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000571311734 448134733 /nfs/dbraw/zinc/13/47/33/448134733.db2.gz ZNVNDYNRBRVPTB-ZIAGYGMSSA-N 2 0 340.512 1.392 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000571315984 448135969 /nfs/dbraw/zinc/13/59/69/448135969.db2.gz QQDJXXDMRPJDPO-FQEVSTJZSA-N 2 0 349.519 1.700 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897542 448231705 /nfs/dbraw/zinc/23/17/05/448231705.db2.gz PMUNCNXIECCYDM-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC1 ZINC000571872577 448221635 /nfs/dbraw/zinc/22/16/35/448221635.db2.gz VHLXIUFNRIWQKC-MAUKXSAKSA-N 2 0 345.487 1.959 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2=O ZINC000527381963 448222295 /nfs/dbraw/zinc/22/22/95/448222295.db2.gz IKOIKIYTYSVZKI-UHFFFAOYSA-N 2 0 348.447 1.609 20 0 EDADRP CSc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000591085492 448257652 /nfs/dbraw/zinc/25/76/52/448257652.db2.gz AIBDISLMUIKHBB-UHFFFAOYSA-N 2 0 345.534 1.522 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591096968 448260460 /nfs/dbraw/zinc/26/04/60/448260460.db2.gz OWIUXVDHPQHEMT-QGZVFWFLSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000591100803 448262062 /nfs/dbraw/zinc/26/20/62/448262062.db2.gz WEFSKAMCVSMPQZ-LSDHHAIUSA-N 2 0 348.466 1.706 20 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ZINC000582847559 448358999 /nfs/dbraw/zinc/35/89/99/448358999.db2.gz VTQDQACKEDPUNB-INIZCTEOSA-N 2 0 345.491 1.228 20 0 EDADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000572368004 448360094 /nfs/dbraw/zinc/36/00/94/448360094.db2.gz QHOCDWRMYIWUGA-OAHLLOKOSA-N 2 0 339.447 1.503 20 0 EDADRP Cc1ncc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)c(N)n1 ZINC000515884435 448361276 /nfs/dbraw/zinc/36/12/76/448361276.db2.gz OHYAJFKJTFJRSN-INIZCTEOSA-N 2 0 339.443 1.896 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000566150804 448396956 /nfs/dbraw/zinc/39/69/56/448396956.db2.gz GZYNBCFMLYJZGC-DLBZAZTESA-N 2 0 331.464 1.412 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000572539622 448404500 /nfs/dbraw/zinc/40/45/00/448404500.db2.gz HCKVISTWCIAPTR-UHFFFAOYSA-N 2 0 347.507 1.538 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)s1 ZINC000577963609 448428858 /nfs/dbraw/zinc/42/88/58/448428858.db2.gz HLJAQYFPNSCIKB-STQMWFEESA-N 2 0 331.507 1.503 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000566248498 448429002 /nfs/dbraw/zinc/42/90/02/448429002.db2.gz CNNJYMUGPJLYLI-WFASDCNBSA-N 2 0 334.489 1.733 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000578076402 448456026 /nfs/dbraw/zinc/45/60/26/448456026.db2.gz HOGFMZUHIMHTNU-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000572856010 448482216 /nfs/dbraw/zinc/48/22/16/448482216.db2.gz UURZNMSQGQWRFJ-LSDHHAIUSA-N 2 0 326.462 1.466 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000578300017 448508607 /nfs/dbraw/zinc/50/86/07/448508607.db2.gz KQTPOBVGYVRDEU-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000584769613 448624390 /nfs/dbraw/zinc/62/43/90/448624390.db2.gz UROCEKOHJHKVIS-SJLPKXTDSA-N 2 0 347.507 1.130 20 0 EDADRP [NH3+][C@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000578625042 448596314 /nfs/dbraw/zinc/59/63/14/448596314.db2.gz JSGXFEYBCYFLLH-IPMKNSEASA-N 2 0 342.487 1.887 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000578756765 448627654 /nfs/dbraw/zinc/62/76/54/448627654.db2.gz NBGRZWMICCSWII-NQYYFHDYSA-N 2 0 349.544 1.946 20 0 EDADRP CO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000518715057 448701115 /nfs/dbraw/zinc/70/11/15/448701115.db2.gz OFBRDGOMSJXHEH-HUUCEWRRSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000518735890 448704670 /nfs/dbraw/zinc/70/46/70/448704670.db2.gz BGMUKTBZBDYVBP-HNNXBMFYSA-N 2 0 328.501 1.109 20 0 EDADRP CN1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)[C@H](C[NH3+])C1 ZINC000579332216 448767350 /nfs/dbraw/zinc/76/73/50/448767350.db2.gz ZABINIQJEKQGEA-OAHLLOKOSA-N 2 0 338.883 1.902 20 0 EDADRP O=C1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000567674004 448733038 /nfs/dbraw/zinc/73/30/38/448733038.db2.gz YIGQKTHUVHLQRJ-BHYGNILZSA-N 2 0 327.428 1.103 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000574163066 448805656 /nfs/dbraw/zinc/80/56/56/448805656.db2.gz VZXLIDJOMLCONO-CALCHBBNSA-N 3 0 336.524 1.378 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000519428809 448770156 /nfs/dbraw/zinc/77/01/56/448770156.db2.gz PGRSWBGDGAODGB-SFHVURJKSA-N 2 0 344.503 1.657 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000579469493 448800952 /nfs/dbraw/zinc/80/09/52/448800952.db2.gz GWPXVRPIMMLUTG-WCQYABFASA-N 2 0 332.404 1.093 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000529322879 448822853 /nfs/dbraw/zinc/82/28/53/448822853.db2.gz RNHGZGWABPMCMW-MRXNPFEDSA-N 2 0 349.479 1.161 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000579580903 448824522 /nfs/dbraw/zinc/82/45/22/448824522.db2.gz ZVLSASLEXKTJDG-SOLBZPMBSA-N 2 0 331.460 1.644 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529353170 448837703 /nfs/dbraw/zinc/83/77/03/448837703.db2.gz PLVDHVFLMPZKOQ-GDBMZVCRSA-N 2 0 336.480 1.166 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)CC2)CC1 ZINC000568210320 448838164 /nfs/dbraw/zinc/83/81/64/448838164.db2.gz VAPXTEJXLUZPQO-HDICACEKSA-N 3 0 348.535 1.203 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000568628247 448897552 /nfs/dbraw/zinc/89/75/52/448897552.db2.gz PQIWAVUWEYSNGY-HOTGVXAUSA-N 2 0 342.528 1.892 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558627 448900798 /nfs/dbraw/zinc/90/07/98/448900798.db2.gz JRWYSCNBVBHRBQ-HIFRSBDPSA-N 2 0 333.480 1.522 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000574569186 448904369 /nfs/dbraw/zinc/90/43/69/448904369.db2.gz KCTMQXSADLNDQB-KDOFPFPSSA-N 2 0 328.460 1.738 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c21 ZINC000592567075 448904411 /nfs/dbraw/zinc/90/44/11/448904411.db2.gz PUADOVSMWFDTQL-LZWOXQAQSA-N 2 0 331.464 1.323 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592567134 448904561 /nfs/dbraw/zinc/90/45/61/448904561.db2.gz VYICHKWRXQIIIM-WMLDXEAASA-N 2 0 345.491 1.569 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000520551141 448909758 /nfs/dbraw/zinc/90/97/58/448909758.db2.gz NSBRBXMEXQNRBS-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579927450 448910448 /nfs/dbraw/zinc/91/04/48/448910448.db2.gz VGUJTGNXJRTFJF-IAGOWNOFSA-N 2 0 337.508 1.604 20 0 EDADRP O=C(CC[NH2+]CCC[NH+]1CCC(O)CC1)Nc1cc(F)cc(F)c1 ZINC000521436070 448986399 /nfs/dbraw/zinc/98/63/99/448986399.db2.gz LYFZQKPSYVZKCV-UHFFFAOYSA-N 2 0 341.402 1.730 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)nn1 ZINC000521042797 448949295 /nfs/dbraw/zinc/94/92/95/448949295.db2.gz QUGOGIQOODWHOX-ZBAHALTISA-N 2 0 346.479 1.054 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000521986776 449035657 /nfs/dbraw/zinc/03/56/57/449035657.db2.gz WBYYONTXTJSYGL-BZUAXINKSA-N 2 0 338.496 1.399 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592955069 449075396 /nfs/dbraw/zinc/07/53/96/449075396.db2.gz JKTPFZNYIPJBFR-OAHLLOKOSA-N 2 0 333.480 1.571 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592954682 449075401 /nfs/dbraw/zinc/07/54/01/449075401.db2.gz DGHVAEATOGRWRW-CABCVRRESA-N 2 0 333.480 1.714 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000582286126 449055683 /nfs/dbraw/zinc/05/56/83/449055683.db2.gz PZQZLGPFVMLSQB-QUCCMNQESA-N 2 0 345.487 1.472 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])Cc1ccc(OC)c(F)c1 ZINC000575401855 449089290 /nfs/dbraw/zinc/08/92/90/449089290.db2.gz PZZFMPNMAVTBNS-DYEKYZERSA-N 2 0 325.428 1.454 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000548808968 449099677 /nfs/dbraw/zinc/09/96/77/449099677.db2.gz FZKVTQOZVCRYKG-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911984 449249155 /nfs/dbraw/zinc/24/91/55/449249155.db2.gz VVBOWTDASCQZMH-OAHLLOKOSA-N 2 0 349.479 1.340 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc(-c2ccoc2)no1 ZINC000606841957 449526059 /nfs/dbraw/zinc/52/60/59/449526059.db2.gz NHKJACCKKRUJBV-UHFFFAOYSA-N 2 0 349.435 1.214 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)CC(C)C ZINC000602476612 449620743 /nfs/dbraw/zinc/62/07/43/449620743.db2.gz SSYGMACNUMURRT-CMJOXMDJSA-N 2 0 345.553 1.360 20 0 EDADRP CCN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617551371 449683171 /nfs/dbraw/zinc/68/31/71/449683171.db2.gz PZEFUNXPSUFVBK-JKSUJKDBSA-N 2 0 325.522 1.757 20 0 EDADRP COC(=O)c1csc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)c1 ZINC000602512472 449642730 /nfs/dbraw/zinc/64/27/30/449642730.db2.gz VYZFVWJMFPPDQQ-MRXNPFEDSA-N 2 0 339.505 1.896 20 0 EDADRP CCOC(=O)c1ccc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)[nH]1 ZINC000602580324 449684708 /nfs/dbraw/zinc/68/47/08/449684708.db2.gz LYOOGUHHYZCCRI-UHFFFAOYSA-N 2 0 343.431 1.950 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000617505075 449649200 /nfs/dbraw/zinc/64/92/00/449649200.db2.gz WKRHTRDZHHSXOU-INIZCTEOSA-N 2 0 334.508 1.750 20 0 EDADRP COC(=O)CC1CCC([NH2+]CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000599031990 449705068 /nfs/dbraw/zinc/70/50/68/449705068.db2.gz STUOZQGCLTVKBE-UHFFFAOYSA-N 2 0 326.481 1.933 20 0 EDADRP C[C@H](CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[NH+](C)C ZINC000617750718 449815832 /nfs/dbraw/zinc/81/58/32/449815832.db2.gz KFUDXISOWZPMFB-MRXNPFEDSA-N 2 0 347.503 1.961 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000599312975 449883376 /nfs/dbraw/zinc/88/33/76/449883376.db2.gz WMOCGMFXIJGKRP-KRWDZBQOSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@@]1(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902543 449933936 /nfs/dbraw/zinc/93/39/36/449933936.db2.gz BPKOCIQNBZTJEH-IEBWSBKVSA-N 2 0 346.475 1.329 20 0 EDADRP COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000608784725 449937749 /nfs/dbraw/zinc/93/77/49/449937749.db2.gz OWENJAYTUVAAJT-INIZCTEOSA-N 2 0 337.464 1.147 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000615085720 449945477 /nfs/dbraw/zinc/94/54/77/449945477.db2.gz IHBLMWCWDMABOY-AWEZNQCLSA-N 2 0 328.416 1.660 20 0 EDADRP CC[N@H+](CC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000617977192 449959804 /nfs/dbraw/zinc/95/98/04/449959804.db2.gz MUTJOQRKMIKWGE-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964574 449960425 /nfs/dbraw/zinc/96/04/25/449960425.db2.gz RMOGQXJXIBCQHM-SJORKVTESA-N 2 0 330.476 1.601 20 0 EDADRP CC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000615231897 450014338 /nfs/dbraw/zinc/01/43/38/450014338.db2.gz VRNQDIGKBQUANS-HRCADAONSA-N 2 0 340.512 1.020 20 0 EDADRP CC(C)NC(=O)NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603112265 450074562 /nfs/dbraw/zinc/07/45/62/450074562.db2.gz VFHIIZPITQPFSA-HNNXBMFYSA-N 2 0 326.485 1.807 20 0 EDADRP [NH3+]Cc1cc(NC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc(C(F)(F)F)c1 ZINC000625897180 450531228 /nfs/dbraw/zinc/53/12/28/450531228.db2.gz QWYWMGUPDVTCDZ-CYBMUJFWSA-N 2 0 346.353 1.352 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000620970219 450567305 /nfs/dbraw/zinc/56/73/05/450567305.db2.gz NEXZQMZLLJCATM-QGZVFWFLSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000621099704 450580370 /nfs/dbraw/zinc/58/03/70/450580370.db2.gz ZRWBNXBDJARPMV-INIZCTEOSA-N 2 0 333.480 1.297 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000627363054 450676679 /nfs/dbraw/zinc/67/66/79/450676679.db2.gz DQBPWULAPHSBCD-OWCLPIDISA-N 2 0 338.496 1.014 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000629417942 450663236 /nfs/dbraw/zinc/66/32/36/450663236.db2.gz LICNKEFBXYSFQO-CALCHBBNSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623900687 450630294 /nfs/dbraw/zinc/63/02/94/450630294.db2.gz PZRQZQKNAFZNDB-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCOCC[NH2+]C)cc1 ZINC000629528598 450726519 /nfs/dbraw/zinc/72/65/19/450726519.db2.gz DQEOBVACAFCFJE-CYBMUJFWSA-N 2 0 329.466 1.335 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1 ZINC000631743790 450744956 /nfs/dbraw/zinc/74/49/56/450744956.db2.gz BYJJBFALFBLEGJ-DXEWXGHRSA-N 2 0 341.521 1.452 20 0 EDADRP Cc1ccc(NC[C@H](O)C[NH+]2CCCC2)cc1NC(=O)CC[NH+](C)C ZINC000629582445 450748953 /nfs/dbraw/zinc/74/89/53/450748953.db2.gz UUEZZKYGAPHHQZ-KRWDZBQOSA-N 2 0 348.491 1.754 20 0 EDADRP C[C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[NH+](C)C ZINC000635254807 450786308 /nfs/dbraw/zinc/78/63/08/450786308.db2.gz IGODEPWFMCUPSY-YVWKXTFCSA-N 2 0 345.487 1.591 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@H]3CCC[NH2+]C3)cn2)CC1 ZINC000621645742 450809795 /nfs/dbraw/zinc/80/97/95/450809795.db2.gz LIHLLLJKZCNYBL-OAHLLOKOSA-N 2 0 331.464 1.552 20 0 EDADRP C[NH+](C)C1(CNC(=O)CC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000621649392 450813570 /nfs/dbraw/zinc/81/35/70/450813570.db2.gz IZVGZKNXRNHKET-MRXNPFEDSA-N 2 0 329.488 1.982 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000631827062 450799638 /nfs/dbraw/zinc/79/96/38/450799638.db2.gz DNTZRJKXZVZURN-RYRKJORJSA-N 2 0 330.476 1.232 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2nccnc2C)CC1 ZINC000621727992 450850994 /nfs/dbraw/zinc/85/09/94/450850994.db2.gz YTBGZNFYGBJIJT-UHFFFAOYSA-N 2 0 347.507 1.845 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+](CCc4ccccc4)C3)C[C@H]21 ZINC000627655458 450870966 /nfs/dbraw/zinc/87/09/66/450870966.db2.gz RNFPYVBFFRHGGO-VNTMZGSJSA-N 2 0 341.499 1.960 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCCC[C@@H]([NH3+])C2)cc1 ZINC000631961257 450918021 /nfs/dbraw/zinc/91/80/21/450918021.db2.gz JAOJSWKEILOQOG-OAHLLOKOSA-N 2 0 325.478 1.640 20 0 EDADRP C[N@H+](CC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000629986772 450935479 /nfs/dbraw/zinc/93/54/79/450935479.db2.gz BQGWKTAJHIAPAY-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000626847720 450954938 /nfs/dbraw/zinc/95/49/38/450954938.db2.gz YEHWVKYJBAPJAO-QGZVFWFLSA-N 2 0 346.475 1.452 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000635459683 450959701 /nfs/dbraw/zinc/95/97/01/450959701.db2.gz JYQVPYMYCDOEBW-KRWDZBQOSA-N 2 0 344.503 1.889 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000626919208 451003270 /nfs/dbraw/zinc/00/32/70/451003270.db2.gz DANGQUJRRWGPPT-NVXWUHKLSA-N 2 0 332.448 1.493 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C12CCC2)Cc1ccccc1 ZINC000626921583 451005360 /nfs/dbraw/zinc/00/53/60/451005360.db2.gz DHXMCAWMEQMMMR-DLBZAZTESA-N 2 0 330.476 1.743 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000626927580 451010299 /nfs/dbraw/zinc/01/02/99/451010299.db2.gz UALCCKVXTDFXOW-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000626944754 451024520 /nfs/dbraw/zinc/02/45/20/451024520.db2.gz APNSDHGZBKPXEG-RHSMWYFYSA-N 2 0 326.485 1.304 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000626953726 451031196 /nfs/dbraw/zinc/03/11/96/451031196.db2.gz CXPFKFKRIBALFR-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@H](CNC(=O)N(C)CCOCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000626953311 451031424 /nfs/dbraw/zinc/03/14/24/451031424.db2.gz QCHWAQUNIIFAKJ-OAHLLOKOSA-N 2 0 334.464 1.050 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635556405 451053714 /nfs/dbraw/zinc/05/37/14/451053714.db2.gz PXGCCBACBFYPKR-SFHVURJKSA-N 2 0 346.519 1.303 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000627001895 451067831 /nfs/dbraw/zinc/06/78/31/451067831.db2.gz NRDQOUXHFZCIKV-OAHLLOKOSA-N 2 0 349.479 1.224 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000627028202 451089917 /nfs/dbraw/zinc/08/99/17/451089917.db2.gz HVATZEPEXCFFIE-UHFFFAOYSA-N 2 0 340.512 1.697 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000632116611 451047547 /nfs/dbraw/zinc/04/75/47/451047547.db2.gz XRZVVMKCJHNGNG-INIZCTEOSA-N 2 0 333.480 1.249 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000635551587 451048074 /nfs/dbraw/zinc/04/80/74/451048074.db2.gz NWFKCYXGXXDGQG-YJBOKZPZSA-N 2 0 334.508 1.288 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCCNc1cc(C)nc(C(C)C)n1 ZINC000627080324 451114017 /nfs/dbraw/zinc/11/40/17/451114017.db2.gz PJQVIDSYRSJCID-CQSZACIVSA-N 2 0 336.484 2.137 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC1 ZINC000633954517 451122146 /nfs/dbraw/zinc/12/21/46/451122146.db2.gz TTWUSZYACSMBCQ-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000627115277 451131282 /nfs/dbraw/zinc/13/12/82/451131282.db2.gz SLBMSUQOZWJRQO-IKICRFKJSA-N 2 0 346.475 1.580 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCOCC1 ZINC000627150832 451149975 /nfs/dbraw/zinc/14/99/75/451149975.db2.gz BYOIUXQOEVOQIZ-GOEBONIOSA-N 2 0 336.480 1.153 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627154680 451151848 /nfs/dbraw/zinc/15/18/48/451151848.db2.gz NBCFEDDMCLJNGG-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632288852 451174627 /nfs/dbraw/zinc/17/46/27/451174627.db2.gz MLNBRKZBHKSTHJ-OAHLLOKOSA-N 2 0 331.526 1.512 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248040 451206754 /nfs/dbraw/zinc/20/67/54/451206754.db2.gz DDOMMDOLQLXNGW-IAGOWNOFSA-N 2 0 331.464 1.439 20 0 EDADRP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000635743395 451213305 /nfs/dbraw/zinc/21/33/05/451213305.db2.gz NVSCSRQFQTXOSH-QZTJIDSGSA-N 2 0 345.487 1.327 20 0 EDADRP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000635750522 451218232 /nfs/dbraw/zinc/21/82/32/451218232.db2.gz SNYMSZUBGUYORW-ZWKOTPCHSA-N 2 0 348.535 1.347 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625212477 451218908 /nfs/dbraw/zinc/21/89/08/451218908.db2.gz QCEXLXAAWLKSCO-UHFFFAOYSA-N 2 0 326.481 1.759 20 0 EDADRP Nc1nc(N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c2c([nH+]1)CCCC2 ZINC000630544873 451240363 /nfs/dbraw/zinc/24/03/63/451240363.db2.gz ICJTXJOUSQMUTA-CQSZACIVSA-N 2 0 331.464 1.533 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638089783 451256304 /nfs/dbraw/zinc/25/63/04/451256304.db2.gz SOFZVRAIDGIKLQ-GOEBONIOSA-N 2 0 335.473 1.599 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000638098684 451263753 /nfs/dbraw/zinc/26/37/53/451263753.db2.gz DDSXDHNTDQHWQF-BMGDILEWSA-N 2 0 331.460 1.520 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101019 451267340 /nfs/dbraw/zinc/26/73/40/451267340.db2.gz MEOLZSJJARKEMC-MSOLQXFVSA-N 2 0 332.492 1.436 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000638102228 451268455 /nfs/dbraw/zinc/26/84/55/451268455.db2.gz UHCBZBQSPINMGN-ZWKOTPCHSA-N 2 0 330.476 1.046 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000638103196 451270167 /nfs/dbraw/zinc/27/01/67/451270167.db2.gz LRVSUDWSPXXXIF-LBKNJMOBSA-N 2 0 345.487 1.923 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC000635847084 451295534 /nfs/dbraw/zinc/29/55/34/451295534.db2.gz QIDMUBAVXNKPCB-UHFFFAOYSA-N 2 0 333.476 1.927 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000638127079 451297080 /nfs/dbraw/zinc/29/70/80/451297080.db2.gz UHBLNKJREWSKGF-IEBWSBKVSA-N 2 0 345.487 1.899 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000635853551 451301952 /nfs/dbraw/zinc/30/19/52/451301952.db2.gz ISLLZVULFFAPSI-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638131959 451303330 /nfs/dbraw/zinc/30/33/30/451303330.db2.gz FFEWGIVYNXFKDG-SOLBZPMBSA-N 2 0 331.460 1.650 20 0 EDADRP C[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131532 451304396 /nfs/dbraw/zinc/30/43/96/451304396.db2.gz RHRQRWQKHPOONT-QFBILLFUSA-N 2 0 331.460 1.488 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000638132831 451305967 /nfs/dbraw/zinc/30/59/67/451305967.db2.gz FQLUVGRCAWDNET-SFHVURJKSA-N 2 0 340.427 1.309 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)N2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137884 451313676 /nfs/dbraw/zinc/31/36/76/451313676.db2.gz PUEFJKUXWNKROO-MSOLQXFVSA-N 2 0 338.540 1.055 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160996 451329559 /nfs/dbraw/zinc/32/95/59/451329559.db2.gz MWBIKBKEBWYNCB-SFHVURJKSA-N 2 0 342.443 1.422 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N(C)Cc2ncc[nH]2)[NH+](C)C)cc1 ZINC000636593222 451333273 /nfs/dbraw/zinc/33/32/73/451333273.db2.gz FQPIEMWTNPECRB-HNNXBMFYSA-N 2 0 343.431 1.096 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000640531086 451382542 /nfs/dbraw/zinc/38/25/42/451382542.db2.gz DMUXXBSTDNHVNB-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638254873 451383286 /nfs/dbraw/zinc/38/32/86/451383286.db2.gz JALKKFVLBINKPF-JENIJYKNSA-N 2 0 331.460 1.379 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000638260669 451385347 /nfs/dbraw/zinc/38/53/47/451385347.db2.gz AHPGOWBNUCBQDC-RYRKJORJSA-N 2 0 331.460 1.413 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749188 451396962 /nfs/dbraw/zinc/39/69/62/451396962.db2.gz IIYUPJFIMVYRLD-UYAOXDASSA-N 2 0 345.487 1.472 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCCC[NH2+]1 ZINC000638287247 451404091 /nfs/dbraw/zinc/40/40/91/451404091.db2.gz UVHQPCYIPMJCQM-HQRMLTQVSA-N 2 0 345.487 1.782 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000638307455 451420937 /nfs/dbraw/zinc/42/09/37/451420937.db2.gz FAFRJIHBRWCLIL-PKOBYXMFSA-N 2 0 327.472 1.818 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000640577758 451422631 /nfs/dbraw/zinc/42/26/31/451422631.db2.gz YMVCHPTZVJZGIK-MRXNPFEDSA-N 2 0 347.463 1.206 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CCCC[NH2+]1 ZINC000638309788 451423254 /nfs/dbraw/zinc/42/32/54/451423254.db2.gz NNGUWJXVZJODFQ-IEZWGBDMSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310001 451424573 /nfs/dbraw/zinc/42/45/73/451424573.db2.gz UYOPSNKNEVENGX-HQRMLTQVSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630852076 451437955 /nfs/dbraw/zinc/43/79/55/451437955.db2.gz GWXBFPSMMLBNOM-NUJGCVRESA-N 2 0 347.507 1.922 20 0 EDADRP COC[C@@]1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CCCC[NH2+]1 ZINC000638332654 451438497 /nfs/dbraw/zinc/43/84/97/451438497.db2.gz JMOKMXLLKUCKRW-MRXNPFEDSA-N 2 0 338.477 1.707 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630871007 451451953 /nfs/dbraw/zinc/45/19/53/451451953.db2.gz FDGLQAHHXKKIJN-QGZVFWFLSA-N 2 0 335.496 1.829 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638378429 451473171 /nfs/dbraw/zinc/47/31/71/451473171.db2.gz OYGYKRJIDLLBCY-LJQANCHMSA-N 2 0 346.475 1.525 20 0 EDADRP C[N@H+](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)CC(C)(C)C ZINC000638393533 451483324 /nfs/dbraw/zinc/48/33/24/451483324.db2.gz RVYVSDVKHSTSOH-OAGGEKHMSA-N 2 0 325.497 1.852 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638394597 451484795 /nfs/dbraw/zinc/48/47/95/451484795.db2.gz GSRHZGBVGXHMDL-QGZVFWFLSA-N 2 0 333.476 1.898 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638402856 451490641 /nfs/dbraw/zinc/49/06/41/451490641.db2.gz DFUVZRPTZROLPY-XLIONFOSSA-N 2 0 345.487 1.721 20 0 EDADRP C[N@H+](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341171 451445342 /nfs/dbraw/zinc/44/53/42/451445342.db2.gz NSZWCSONQKQRFK-RDJZCZTQSA-N 2 0 325.497 1.709 20 0 EDADRP OCCC[N@@H+]1CCC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721247 451501329 /nfs/dbraw/zinc/50/13/29/451501329.db2.gz VRRKVPONFGJLKR-VQTJNVASSA-N 2 0 347.503 1.060 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638416329 451502925 /nfs/dbraw/zinc/50/29/25/451502925.db2.gz RFKWNJNFABLLSY-HKUYNNGSSA-N 2 0 331.460 1.140 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638428354 451510127 /nfs/dbraw/zinc/51/01/27/451510127.db2.gz SUVNIXIBYUUQHP-LLVKDONJSA-N 2 0 344.410 1.243 20 0 EDADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ncnn3C)CC2)cc1 ZINC000638453077 451523500 /nfs/dbraw/zinc/52/35/00/451523500.db2.gz JXXCPJMDTKBSLP-UHFFFAOYSA-N 2 0 329.448 1.826 20 0 EDADRP c1cnn(C2CC([NH2+]CCCN3CCN(c4cc[nH+]cc4)CC3)C2)c1 ZINC000638462145 451527555 /nfs/dbraw/zinc/52/75/55/451527555.db2.gz JEXYZVUKOGGJHN-UHFFFAOYSA-N 2 0 340.475 1.784 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)ccn2)CC1 ZINC000634762151 451532831 /nfs/dbraw/zinc/53/28/31/451532831.db2.gz QMZBVVFQBQXZJM-MRXNPFEDSA-N 2 0 345.491 1.341 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764942 451534002 /nfs/dbraw/zinc/53/40/02/451534002.db2.gz HDKKPRNSCYLDDG-IAGOWNOFSA-N 2 0 332.492 1.340 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000638505826 451550660 /nfs/dbraw/zinc/55/06/60/451550660.db2.gz OTBJFFQAMQARNF-SFHVURJKSA-N 2 0 342.487 1.448 20 0 EDADRP COCCc1ncc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)s1 ZINC000631066178 451563877 /nfs/dbraw/zinc/56/38/77/451563877.db2.gz ZQFUGVRWHJWLNZ-UHFFFAOYSA-N 2 0 340.537 1.695 20 0 EDADRP COc1cc(Cl)c(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000631077394 451570976 /nfs/dbraw/zinc/57/09/76/451570976.db2.gz GELSIGJZMSAFDI-UHFFFAOYSA-N 2 0 328.840 1.904 20 0 EDADRP C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000638550581 451572597 /nfs/dbraw/zinc/57/25/97/451572597.db2.gz SFLCSAIRANNJGY-RQJABVFESA-N 2 0 335.414 1.998 20 0 EDADRP CO[C@H](C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)Cc1ccccc1 ZINC000638570567 451581761 /nfs/dbraw/zinc/58/17/61/451581761.db2.gz DSKFCGBFRKJADC-ROUUACIJSA-N 2 0 333.476 1.421 20 0 EDADRP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000638570948 451582475 /nfs/dbraw/zinc/58/24/75/451582475.db2.gz DITJISSGAHKQAZ-SJORKVTESA-N 2 0 325.497 1.759 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638570740 451582880 /nfs/dbraw/zinc/58/28/80/451582880.db2.gz GTWLHERPVDDBIA-ZWKOTPCHSA-N 2 0 344.503 1.690 20 0 EDADRP CO[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000638586499 451590486 /nfs/dbraw/zinc/59/04/86/451590486.db2.gz UCTYIYKPBUVSRD-RTBURBONSA-N 2 0 345.487 1.899 20 0 EDADRP CO[C@H](C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1CC1 ZINC000638586497 451590597 /nfs/dbraw/zinc/59/05/97/451590597.db2.gz UCTYIYKPBUVSRD-RBUKOAKNSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636922404 451610279 /nfs/dbraw/zinc/61/02/79/451610279.db2.gz RJUYLULLHAHHAH-DYVFJYSZSA-N 2 0 346.479 1.754 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000638565233 451579838 /nfs/dbraw/zinc/57/98/38/451579838.db2.gz YOQVNGQVOWIVKD-DGCLKSJQSA-N 2 0 347.385 1.044 20 0 EDADRP C[C@H]([NH2+]CC[C@@H]([NH3+])Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000635007931 451648246 /nfs/dbraw/zinc/64/82/46/451648246.db2.gz QJKKTHHKCCARTA-WMLDXEAASA-N 2 0 347.484 1.945 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000637001854 451672309 /nfs/dbraw/zinc/67/23/09/451672309.db2.gz OPSTWPMZZXGLJZ-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CN1CCN(c2cc[nH+]c(NC(=O)C34CCC[NH+](CCC3)C4)c2)CC1 ZINC000636310715 451673121 /nfs/dbraw/zinc/67/31/21/451673121.db2.gz AUEVMTXGUZNPAJ-UHFFFAOYSA-N 2 0 343.475 1.648 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000638747105 451673536 /nfs/dbraw/zinc/67/35/36/451673536.db2.gz AIIUTYGBBDZMSA-IPMKNSEASA-N 2 0 340.508 1.786 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032463 451689295 /nfs/dbraw/zinc/68/92/95/451689295.db2.gz AYOPMUVLEYGUNA-VYDXJSESSA-N 2 0 338.496 1.005 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032466 451689744 /nfs/dbraw/zinc/68/97/44/451689744.db2.gz AYOPMUVLEYGUNA-ZOBUZTSGSA-N 2 0 338.496 1.005 20 0 EDADRP C[C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+]1CCCCCC1 ZINC000638783092 451690404 /nfs/dbraw/zinc/69/04/04/451690404.db2.gz HILFLJARYFRAQK-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638800650 451694962 /nfs/dbraw/zinc/69/49/62/451694962.db2.gz OBJCKFHJBAWNHR-UYAOXDASSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638850808 451710151 /nfs/dbraw/zinc/71/01/51/451710151.db2.gz JOXBYENLZWZMSG-CAIZAGQASA-N 2 0 343.471 1.107 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638856939 451712167 /nfs/dbraw/zinc/71/21/67/451712167.db2.gz WJTQULSFLHFDFP-SZMVWBNQSA-N 2 0 333.476 1.623 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000632962193 451671163 /nfs/dbraw/zinc/67/11/63/451671163.db2.gz YWBUYVIJGPATLS-CZUORRHYSA-N 2 0 334.468 1.741 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@H]2O)CC1 ZINC000639142368 451775750 /nfs/dbraw/zinc/77/57/50/451775750.db2.gz BDEINZCKPIHXBZ-RDJZCZTQSA-N 2 0 340.508 1.379 20 0 EDADRP O=C(Cn1cc2ccccc2n1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985681 451746427 /nfs/dbraw/zinc/74/64/27/451746427.db2.gz DLDDBAILENYEJW-UHFFFAOYSA-N 2 0 336.399 1.480 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCOc2ccccc21 ZINC000638985665 451746664 /nfs/dbraw/zinc/74/66/64/451746664.db2.gz CPBLXAULKFMIHX-MRXNPFEDSA-N 2 0 338.411 1.996 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000638987548 451748100 /nfs/dbraw/zinc/74/81/00/451748100.db2.gz UXOFWHFPQBFKIO-KRWDZBQOSA-N 2 0 337.427 1.144 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@]3(C[NH3+])CCCOC3)C2)cc1 ZINC000639002133 451750853 /nfs/dbraw/zinc/75/08/53/451750853.db2.gz XNFBALPXWGGWJH-IEBWSBKVSA-N 2 0 331.460 1.441 20 0 EDADRP [NH3+]CCOCc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641178932 451770690 /nfs/dbraw/zinc/77/06/90/451770690.db2.gz ATCDPAHRKREEFX-UHFFFAOYSA-N 2 0 329.448 1.788 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641215121 451784119 /nfs/dbraw/zinc/78/41/19/451784119.db2.gz NJHOIKLZRITJMA-LJQANCHMSA-N 2 0 343.475 1.803 20 0 EDADRP CO[C@]1(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000639171221 451784611 /nfs/dbraw/zinc/78/46/11/451784611.db2.gz KICNIZHIXJFIOZ-FQEVSTJZSA-N 2 0 347.503 1.542 20 0 EDADRP CO[C@](C)(C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000639261040 451800270 /nfs/dbraw/zinc/80/02/70/451800270.db2.gz KDQYHEFHCLEIPF-QGZVFWFLSA-N 2 0 325.497 1.188 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)CCO2 ZINC000649131716 451866291 /nfs/dbraw/zinc/86/62/91/451866291.db2.gz XZUOLRCSTTXFAY-QGZVFWFLSA-N 2 0 335.492 1.717 20 0 EDADRP CC(C)C[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639432506 451867914 /nfs/dbraw/zinc/86/79/14/451867914.db2.gz HNAQXIYDPAJBGW-HXUWFJFHSA-N 2 0 331.504 1.897 20 0 EDADRP C[C@@H]1CC[N@H+](CCNS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641366067 451898677 /nfs/dbraw/zinc/89/86/77/451898677.db2.gz VKLWXQBGHDHUFN-CQSZACIVSA-N 2 0 337.489 1.295 20 0 EDADRP CO[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000644599017 451886085 /nfs/dbraw/zinc/88/60/85/451886085.db2.gz PUDSOEPKCBISJI-YOEHRIQHSA-N 2 0 341.883 1.225 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637473410 451890387 /nfs/dbraw/zinc/89/03/87/451890387.db2.gz DMBIVSYHJITLLG-INIZCTEOSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000653417673 451928910 /nfs/dbraw/zinc/92/89/10/451928910.db2.gz SILQLFYXHAJYLG-HNNXBMFYSA-N 2 0 334.468 1.537 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4C[N@H+](C)C[C@H]43)cc2)CC1 ZINC000646914960 451932772 /nfs/dbraw/zinc/93/27/72/451932772.db2.gz HAVJSBBHNQQXGH-PKOBYXMFSA-N 2 0 342.487 1.605 20 0 EDADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000649268484 451941156 /nfs/dbraw/zinc/94/11/56/451941156.db2.gz LHQOPSNYYPGEGZ-MRXNPFEDSA-N 2 0 337.414 1.966 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCCC2)cc1 ZINC000649277080 451947870 /nfs/dbraw/zinc/94/78/70/451947870.db2.gz BRLDCXSESHYTMQ-BGTYHANMSA-N 2 0 329.444 1.699 20 0 EDADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000649287857 451960145 /nfs/dbraw/zinc/96/01/45/451960145.db2.gz FFQDZMUPKBDAJZ-QZTJIDSGSA-N 2 0 331.460 1.453 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649288528 451962191 /nfs/dbraw/zinc/96/21/91/451962191.db2.gz WWEJEZCCIUSBSP-QFBILLFUSA-N 2 0 345.487 1.913 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649288366 451963336 /nfs/dbraw/zinc/96/33/36/451963336.db2.gz MOFDMYZSYQNMBI-LJQANCHMSA-N 2 0 345.487 1.771 20 0 EDADRP CCCN(C(=O)COCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649300584 451976890 /nfs/dbraw/zinc/97/68/90/451976890.db2.gz BNPGZDFLCFGODZ-GOSISDBHSA-N 2 0 333.476 1.865 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649299343 451977153 /nfs/dbraw/zinc/97/71/53/451977153.db2.gz LJMCNDOJIXPVFW-AWEZNQCLSA-N 2 0 348.447 1.035 20 0 EDADRP COCCC1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000649303738 451979336 /nfs/dbraw/zinc/97/93/36/451979336.db2.gz YZFDEJIZFXIVTI-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000649305400 451981107 /nfs/dbraw/zinc/98/11/07/451981107.db2.gz PTGCBMAKCKPNQJ-IEBWSBKVSA-N 2 0 330.476 1.190 20 0 EDADRP C[N@@H+]1CC[C@@](N)(C(=O)NC[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000649305276 451981212 /nfs/dbraw/zinc/98/12/12/451981212.db2.gz KCCPBQQMTJZIDT-MJGOQNOKSA-N 2 0 330.476 1.048 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000649311408 451989251 /nfs/dbraw/zinc/98/92/51/451989251.db2.gz OGUVPUFGQXXKKQ-AOIWGVFYSA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642982540 452009083 /nfs/dbraw/zinc/00/90/83/452009083.db2.gz WUODRSWGPIRKSM-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP O[C@@H](COC1CCOCC1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681951 452020608 /nfs/dbraw/zinc/02/06/08/452020608.db2.gz AZNFAAQJGHPIMX-QGZVFWFLSA-N 2 0 335.448 1.150 20 0 EDADRP [NH3+]C1CCC(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000649343629 452024284 /nfs/dbraw/zinc/02/42/84/452024284.db2.gz LBAZDABSDFKNQO-UHFFFAOYSA-N 2 0 345.487 1.777 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]2[NH2+]CC2(C)C)c2ccccc2)CC1 ZINC000649350644 452033405 /nfs/dbraw/zinc/03/34/05/452033405.db2.gz VQNHVFZYCQWMMN-IAGOWNOFSA-N 2 0 330.476 1.089 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649352824 452037621 /nfs/dbraw/zinc/03/76/21/452037621.db2.gz OJYDPPFAMWMFPP-ZWKOTPCHSA-N 2 0 330.476 1.233 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1CCOC ZINC000649379306 452052745 /nfs/dbraw/zinc/05/27/45/452052745.db2.gz ZPIYGLCSKXXALE-KGLIPLIRSA-N 2 0 333.423 1.191 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C1CC[NH2+]CC1 ZINC000647090345 452054604 /nfs/dbraw/zinc/05/46/04/452054604.db2.gz XTQOGSQEGAAISI-OLMNPRSZSA-N 2 0 337.508 1.757 20 0 EDADRP O=C(CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414915 452078614 /nfs/dbraw/zinc/07/86/14/452078614.db2.gz AAHXEZIZBOSYRF-MAUKXSAKSA-N 2 0 334.508 1.193 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1ccnn1-c1ccccn1)N1CC[NH+](C)CC1 ZINC000647170882 452103041 /nfs/dbraw/zinc/10/30/41/452103041.db2.gz RXXSYGLAZGNLKW-SFHVURJKSA-N 2 0 342.491 1.629 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000649480540 452103085 /nfs/dbraw/zinc/10/30/85/452103085.db2.gz JZJYQGNLFKMTJI-HZSPNIEDSA-N 2 0 340.493 1.356 20 0 EDADRP [NH3+]C1(CC(=O)NC[C@H]2CCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000637828452 452103574 /nfs/dbraw/zinc/10/35/74/452103574.db2.gz ZOWHFYIUFBEIAJ-QGZVFWFLSA-N 2 0 330.476 1.238 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827230 452104314 /nfs/dbraw/zinc/10/43/14/452104314.db2.gz OBMNNLGGZGUKKP-CMKODMSKSA-N 2 0 343.471 1.393 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637847794 452113331 /nfs/dbraw/zinc/11/33/31/452113331.db2.gz DFTRAUMHQDPBIC-QWFCFKBJSA-N 2 0 345.487 1.625 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C2)C1 ZINC000645015361 452115318 /nfs/dbraw/zinc/11/53/18/452115318.db2.gz TUSFGWIOXYIIHL-QGZVFWFLSA-N 2 0 326.404 1.827 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645111715 452156715 /nfs/dbraw/zinc/15/67/15/452156715.db2.gz MQZFQPKWJJTSFI-NXHRZFHOSA-N 2 0 337.508 1.770 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645182840 452199597 /nfs/dbraw/zinc/19/95/97/452199597.db2.gz LWMXTTBEEUYPIK-CQSZACIVSA-N 2 0 333.480 1.875 20 0 EDADRP COc1cccc(C)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000637981190 452224920 /nfs/dbraw/zinc/22/49/20/452224920.db2.gz DANUJODNKITJCH-UHFFFAOYSA-N 2 0 333.476 1.893 20 0 EDADRP Cc1ncc([C@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000637982037 452227580 /nfs/dbraw/zinc/22/75/80/452227580.db2.gz OUWDNWNCUFWQFF-AWEZNQCLSA-N 2 0 333.480 1.544 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2nc3c(s2)CCCC3)C1)N1CC[NH2+]CC1 ZINC000647486401 452230097 /nfs/dbraw/zinc/23/00/97/452230097.db2.gz LNAFHHXKAARTRI-AWEZNQCLSA-N 2 0 348.516 1.666 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@@H](C)O1 ZINC000641752297 452237675 /nfs/dbraw/zinc/23/76/75/452237675.db2.gz WQRNYFPNIAIFEV-HUUCEWRRSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657438778 452248967 /nfs/dbraw/zinc/24/89/67/452248967.db2.gz OVYPPPFIWDLMSD-XLIONFOSSA-N 2 0 347.503 1.970 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000643489258 452256920 /nfs/dbraw/zinc/25/69/20/452256920.db2.gz MYOYSXAHYXLHOO-OWCLPIDISA-N 2 0 346.541 1.158 20 0 EDADRP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000647543288 452274492 /nfs/dbraw/zinc/27/44/92/452274492.db2.gz KORXOWFABMDVRM-ZWKOTPCHSA-N 2 0 340.475 1.933 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[C@H]1F ZINC000659432497 452279447 /nfs/dbraw/zinc/27/94/47/452279447.db2.gz ZSIVCAYXMNVOCZ-QZTJIDSGSA-N 2 0 348.466 1.774 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCC(C)CC1 ZINC000659435612 452281608 /nfs/dbraw/zinc/28/16/08/452281608.db2.gz ZABJZJXUVCBRGK-BZUAXINKSA-N 2 0 328.476 1.824 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000655487928 452285394 /nfs/dbraw/zinc/28/53/94/452285394.db2.gz QHHZDQOJMHVSKH-NSIVTLKISA-N 2 0 341.496 1.133 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000659438854 452286717 /nfs/dbraw/zinc/28/67/17/452286717.db2.gz BGDWJKWHCVAYTE-UHFFFAOYSA-N 2 0 346.450 1.923 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000659450094 452299776 /nfs/dbraw/zinc/29/97/76/452299776.db2.gz HAGLCFXMDOVMFV-OAHLLOKOSA-N 2 0 326.485 1.304 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536880 452301051 /nfs/dbraw/zinc/30/10/51/452301051.db2.gz XKWMHOBNZFRWRI-HZPDHXFCSA-N 2 0 335.473 1.443 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000638050322 452319393 /nfs/dbraw/zinc/31/93/93/452319393.db2.gz NGXRGHSECRJXLB-SFHVURJKSA-N 2 0 333.476 1.947 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCCC[NH2+]1 ZINC000638049808 452321480 /nfs/dbraw/zinc/32/14/80/452321480.db2.gz NZWGHFQEADEZDJ-CZUORRHYSA-N 2 0 325.478 1.626 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000659471393 452327492 /nfs/dbraw/zinc/32/74/92/452327492.db2.gz PUWKIIHIKLLKER-HOTGVXAUSA-N 2 0 338.496 1.325 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638054332 452335324 /nfs/dbraw/zinc/33/53/24/452335324.db2.gz OEMMKIUHKXAZQF-MJGOQNOKSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@]1(NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]C1 ZINC000663611315 452341169 /nfs/dbraw/zinc/34/11/69/452341169.db2.gz JXRKFTXKWDQPIR-IBGZPJMESA-N 2 0 344.459 1.132 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000659516514 452379776 /nfs/dbraw/zinc/37/97/76/452379776.db2.gz JFSREGHABPBTBF-BZSNNMDCSA-N 2 0 348.491 1.813 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659551614 452408319 /nfs/dbraw/zinc/40/83/19/452408319.db2.gz MJWAZLSDXBRHPT-MNCVFJLESA-N 2 0 346.450 1.652 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659554337 452411704 /nfs/dbraw/zinc/41/17/04/452411704.db2.gz MDMWRUBGOCFSKT-VJUNAUMWSA-N 2 0 334.439 1.698 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659559630 452415782 /nfs/dbraw/zinc/41/57/82/452415782.db2.gz GHUVYCAJTFJSPO-GOSISDBHSA-N 2 0 346.475 1.459 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CCO1 ZINC000659562208 452418685 /nfs/dbraw/zinc/41/86/85/452418685.db2.gz YJFUYDOZNAKTDM-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659565169 452419572 /nfs/dbraw/zinc/41/95/72/452419572.db2.gz FTKYNTUWTYYYTJ-UHFFFAOYSA-N 2 0 343.475 1.426 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC3([NH3+])CCCC3)CC2)c1 ZINC000659572211 452427246 /nfs/dbraw/zinc/42/72/46/452427246.db2.gz RKWXABIVHLVRSX-UHFFFAOYSA-N 2 0 333.436 1.193 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659577808 452432109 /nfs/dbraw/zinc/43/21/09/452432109.db2.gz XCCZSIXDLQQENH-ZTFGCOKTSA-N 2 0 330.476 1.901 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652268562 452457069 /nfs/dbraw/zinc/45/70/69/452457069.db2.gz CDOINOMJXSXLOM-UHFFFAOYSA-N 2 0 330.407 1.955 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000663734888 452468589 /nfs/dbraw/zinc/46/85/89/452468589.db2.gz RIGUIKKIJBKEGL-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)C1 ZINC000659611719 452469396 /nfs/dbraw/zinc/46/93/96/452469396.db2.gz UAOQMNIFJDSEKF-ULQDDVLXSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000663736228 452470565 /nfs/dbraw/zinc/47/05/65/452470565.db2.gz JUSRYLOLGLLZCM-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+]1CCN(c2ncnc(N3CC[N@@H+](CC)[C@H](C)C3)c2C)C[C@H]1C ZINC000663745240 452476244 /nfs/dbraw/zinc/47/62/44/452476244.db2.gz UMUYCJWCPFRFTR-HZPDHXFCSA-N 2 0 346.523 1.846 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659620156 452477374 /nfs/dbraw/zinc/47/73/74/452477374.db2.gz ICKPQBFIQIPYPQ-QZTJIDSGSA-N 2 0 348.491 1.426 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652351460 452527791 /nfs/dbraw/zinc/52/77/91/452527791.db2.gz YEQAXNMPBPLSKA-KSSFIOAISA-N 2 0 330.432 1.175 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647796637 452529174 /nfs/dbraw/zinc/52/91/74/452529174.db2.gz HEKDNFYELMUYFP-MLHJIOFPSA-N 2 0 343.471 1.644 20 0 EDADRP c1cn2c(n1)[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000655713782 452530853 /nfs/dbraw/zinc/53/08/53/452530853.db2.gz VTMSENWCMFXBSR-GOSISDBHSA-N 2 0 340.475 1.915 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652361180 452542159 /nfs/dbraw/zinc/54/21/59/452542159.db2.gz ZBGQNVNMEXGWRR-ILOCAZANSA-N 2 0 337.508 1.852 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)C1 ZINC000652363778 452543960 /nfs/dbraw/zinc/54/39/60/452543960.db2.gz NECVDVHBZBASAJ-PVAVHDDUSA-N 2 0 332.448 1.771 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000654528210 452606923 /nfs/dbraw/zinc/60/69/23/452606923.db2.gz PCOILTNRSNFELN-UHFFFAOYSA-N 2 0 342.528 1.861 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000652484064 452679815 /nfs/dbraw/zinc/67/98/15/452679815.db2.gz AYMYNYHKLFDENK-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP C(N1CC[NH+]2CCC[C@@H]2C1)C1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000647963133 452708708 /nfs/dbraw/zinc/70/87/08/452708708.db2.gz JIXYAQWFKOFRLH-KDURUIRLSA-N 2 0 332.536 1.717 20 0 EDADRP C[C@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655965321 452745277 /nfs/dbraw/zinc/74/52/77/452745277.db2.gz BJPWMHYZIYVKSB-KFWWJZLASA-N 2 0 346.475 1.587 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(OCCO)CCOC1 ZINC000658143624 452750234 /nfs/dbraw/zinc/75/02/34/452750234.db2.gz BOBPTOLHRGHKNC-RLLQIKCJSA-N 2 0 348.487 1.655 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)ccc1C[NH+](C)C ZINC000652634336 452791366 /nfs/dbraw/zinc/79/13/66/452791366.db2.gz ZSYFNPWBOVJBTR-UHFFFAOYSA-N 2 0 332.448 1.240 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658288929 452831729 /nfs/dbraw/zinc/83/17/29/452831729.db2.gz HRFDUUUJEXWEQY-HOJAQTOUSA-N 2 0 347.503 1.322 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000648117937 452835239 /nfs/dbraw/zinc/83/52/39/452835239.db2.gz OOLUXEDPLZBWFA-XUWVNRHRSA-N 2 0 331.485 1.684 20 0 EDADRP [NH3+]C1(C(=O)N2CC[NH+](C3CCCCC3)CC2)Cc2ccccc2C1 ZINC000648149538 452860708 /nfs/dbraw/zinc/86/07/08/452860708.db2.gz HPDDEONVWXKPLH-UHFFFAOYSA-N 2 0 327.472 1.960 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1ccc(C[NH3+])o1 ZINC000648176053 452888131 /nfs/dbraw/zinc/88/81/31/452888131.db2.gz UQCLIZUBABNMIG-SUMWQHHRSA-N 2 0 345.447 1.627 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977678 452964947 /nfs/dbraw/zinc/96/49/47/452964947.db2.gz IJPICGHRYPSJCJ-PBHICJAKSA-N 2 0 330.476 1.605 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650760988 452976914 /nfs/dbraw/zinc/97/69/14/452976914.db2.gz QAODAYLFFNGDOF-DRZSPHRISA-N 2 0 328.359 1.893 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256925 452984605 /nfs/dbraw/zinc/98/46/05/452984605.db2.gz KCNVIXYWJZTUDI-FUHWJXTLSA-N 2 0 343.471 1.649 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1)c1ccccc1 ZINC000662256926 452986392 /nfs/dbraw/zinc/98/63/92/452986392.db2.gz KCNVIXYWJZTUDI-SJLPKXTDSA-N 2 0 343.471 1.649 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000662263420 452994936 /nfs/dbraw/zinc/99/49/36/452994936.db2.gz ASVRIZRYSBQHBN-WBVHZDCISA-N 2 0 331.464 1.174 20 0 EDADRP NS(=O)(=O)c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)co1 ZINC000662273452 453001441 /nfs/dbraw/zinc/00/14/41/453001441.db2.gz MRBSVBCIYIXGPF-KBPBESRZSA-N 2 0 327.450 1.139 20 0 EDADRP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293556 453016122 /nfs/dbraw/zinc/01/61/22/453016122.db2.gz LWFGXAIOBRBQOQ-SJORKVTESA-N 2 0 345.491 1.545 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000666627424 453020420 /nfs/dbraw/zinc/02/04/20/453020420.db2.gz LVHISPAVAREEDR-QGZVFWFLSA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)CC1 ZINC000662312747 453030842 /nfs/dbraw/zinc/03/08/42/453030842.db2.gz DAQDWYXPEYJYQB-KDURUIRLSA-N 2 0 335.492 1.480 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000646042219 453044435 /nfs/dbraw/zinc/04/44/35/453044435.db2.gz YADYNEVPWVDVLT-KRWDZBQOSA-N 2 0 349.450 1.783 20 0 EDADRP C[C@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660455 453045379 /nfs/dbraw/zinc/04/53/79/453045379.db2.gz NXUMYVIZFVPXRN-HOTGVXAUSA-N 2 0 338.496 1.101 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]C1 ZINC000646106151 453110224 /nfs/dbraw/zinc/11/02/24/453110224.db2.gz PZFPHXWRUJEXKI-MJGOQNOKSA-N 2 0 331.460 1.345 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662400480 453110966 /nfs/dbraw/zinc/11/09/66/453110966.db2.gz ZAMNCFXEHCPBPU-AWEZNQCLSA-N 2 0 333.480 1.681 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000664537746 453178871 /nfs/dbraw/zinc/17/88/71/453178871.db2.gz RFTUFKPSTDXKQV-HNNXBMFYSA-N 2 0 339.528 1.184 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662467514 453179158 /nfs/dbraw/zinc/17/91/58/453179158.db2.gz CSHHLWRYJFEREA-UHFFFAOYSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@H](CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000664550856 453187269 /nfs/dbraw/zinc/18/72/69/453187269.db2.gz JDKQPIXUWKRVQM-CQSZACIVSA-N 2 0 337.468 1.161 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000662484328 453198859 /nfs/dbraw/zinc/19/88/59/453198859.db2.gz HQAFMMLHHJOFPZ-QGZVFWFLSA-N 2 0 334.464 1.249 20 0 EDADRP [NH3+][C@H](c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656468779 453205617 /nfs/dbraw/zinc/20/56/17/453205617.db2.gz SHNVEGOQWDVPGA-QXAKKESOSA-N 2 0 341.459 1.979 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000653036898 453220245 /nfs/dbraw/zinc/22/02/45/453220245.db2.gz NCNKFAUFYBDXBO-QGZVFWFLSA-N 2 0 327.513 1.874 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000660355019 453240580 /nfs/dbraw/zinc/24/05/80/453240580.db2.gz ZUVMKSLVZIFZTH-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP [NH3+]CCn1cc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)nn1 ZINC000662525678 453245100 /nfs/dbraw/zinc/24/51/00/453245100.db2.gz KPLWKSLBRXNSKG-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662526608 453246345 /nfs/dbraw/zinc/24/63/45/453246345.db2.gz AZURZWJTZYDUPC-CQSZACIVSA-N 2 0 337.489 1.577 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000651079220 453250240 /nfs/dbraw/zinc/25/02/40/453250240.db2.gz MLVYNRDPYUSRRA-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000666971788 453287870 /nfs/dbraw/zinc/28/78/70/453287870.db2.gz HGLGNUYXEKJHMZ-DLBZAZTESA-N 2 0 336.480 1.119 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106827 453290172 /nfs/dbraw/zinc/29/01/72/453290172.db2.gz NQXPOZNUIUOBTL-ICSRJNTNSA-N 2 0 343.471 1.525 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666973434 453290387 /nfs/dbraw/zinc/29/03/87/453290387.db2.gz VEUBNIWTVUSGMS-SJORKVTESA-N 2 0 338.496 1.221 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653114002 453300739 /nfs/dbraw/zinc/30/07/39/453300739.db2.gz VLIBYXGSUTWXIS-CQSZACIVSA-N 2 0 332.448 1.905 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122987 453316036 /nfs/dbraw/zinc/31/60/36/453316036.db2.gz KOBRYYLUANWWJF-ROUUACIJSA-N 2 0 349.519 1.916 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000653124866 453318751 /nfs/dbraw/zinc/31/87/51/453318751.db2.gz JNPBVEPKHUELMU-QZTJIDSGSA-N 2 0 348.535 1.584 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CO2 ZINC000651185010 453337544 /nfs/dbraw/zinc/33/75/44/453337544.db2.gz VLIAAWGUXWLDIZ-INIZCTEOSA-N 2 0 333.476 1.614 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662637911 453352864 /nfs/dbraw/zinc/35/28/64/453352864.db2.gz LNSILLLBPFKCKT-GOSISDBHSA-N 2 0 346.475 1.178 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662637912 453353719 /nfs/dbraw/zinc/35/37/19/453353719.db2.gz LNSILLLBPFKCKT-SFHVURJKSA-N 2 0 346.475 1.178 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653168885 453359806 /nfs/dbraw/zinc/35/98/06/453359806.db2.gz SNQIYMNKMYSUAV-QRFRQXIXSA-N 2 0 349.519 1.726 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000667048420 453364863 /nfs/dbraw/zinc/36/48/63/453364863.db2.gz QFFAYNSIQRAPOX-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653182106 453372082 /nfs/dbraw/zinc/37/20/82/453372082.db2.gz NRLXJHVQWFAJKA-BQFCYCMXSA-N 2 0 331.460 1.546 20 0 EDADRP O=C1C[C@@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536296 453383210 /nfs/dbraw/zinc/38/32/10/453383210.db2.gz GAJXUFKWIZTFRS-RTBURBONSA-N 2 0 342.487 1.015 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662673802 453389942 /nfs/dbraw/zinc/38/99/42/453389942.db2.gz RKPUKLXUTKYFFY-MSOLQXFVSA-N 2 0 331.460 1.439 20 0 EDADRP CCCCC[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000653200447 453394182 /nfs/dbraw/zinc/39/41/82/453394182.db2.gz FFHYXMOIRNNGLZ-SFHVURJKSA-N 2 0 333.476 1.783 20 0 EDADRP CCCCC[N@H+](CCNC(=O)[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000653200446 453394281 /nfs/dbraw/zinc/39/42/81/453394281.db2.gz FFHYXMOIRNNGLZ-GOSISDBHSA-N 2 0 333.476 1.783 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000653202939 453398512 /nfs/dbraw/zinc/39/85/12/453398512.db2.gz VTPIGKOFVQOYPB-MZIYAPOESA-N 2 0 327.472 1.962 20 0 EDADRP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000653216212 453405183 /nfs/dbraw/zinc/40/51/83/453405183.db2.gz SNJFNIFNIKBWAK-KRWDZBQOSA-N 2 0 341.459 1.046 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@H](C)O1 ZINC000662690375 453410615 /nfs/dbraw/zinc/41/06/15/453410615.db2.gz ZWUUWPKAEJNPIO-STQMWFEESA-N 2 0 338.452 1.488 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655299258 453420640 /nfs/dbraw/zinc/42/06/40/453420640.db2.gz XSJKWRJYVDQPEL-RBUKOAKNSA-N 2 0 343.471 1.176 20 0 EDADRP CCCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000648997138 453462859 /nfs/dbraw/zinc/46/28/59/453462859.db2.gz JSNWSXMXMGNQLY-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC2([NH3+])CCC2)C1 ZINC000662741282 453466060 /nfs/dbraw/zinc/46/60/60/453466060.db2.gz DZQQKMUDPYUAOV-KRWDZBQOSA-N 2 0 330.476 1.190 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)c1 ZINC000646579082 453485949 /nfs/dbraw/zinc/48/59/49/453485949.db2.gz QBYBQWBXFABLAE-GOSISDBHSA-N 2 0 325.412 1.985 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCc2nc(C[NH3+])cc(=O)[nH]2)o1 ZINC000662751986 453487012 /nfs/dbraw/zinc/48/70/12/453487012.db2.gz NNLOEBSUQCONME-UHFFFAOYSA-N 2 0 333.392 1.006 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCO[C@@H]3C[NH3+])c(C)c2)CC1 ZINC000662754553 453490652 /nfs/dbraw/zinc/49/06/52/453490652.db2.gz QOARMWDFXFVUPK-FUHWJXTLSA-N 2 0 346.475 1.439 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC2([NH3+])CC2)[C@H](c2ccccc2)C1 ZINC000662756525 453493523 /nfs/dbraw/zinc/49/35/23/453493523.db2.gz IOQQYIAUYRXNCC-KRWDZBQOSA-N 2 0 330.476 1.363 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444336 453532338 /nfs/dbraw/zinc/53/23/38/453532338.db2.gz BZKYNKCOZFCRCE-UYAOXDASSA-N 2 0 343.471 1.972 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646664117 453548738 /nfs/dbraw/zinc/54/87/38/453548738.db2.gz YHYDMOXZUQLCDO-CGTJXYLNSA-N 2 0 330.476 1.798 20 0 EDADRP O=C([C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832942 453559771 /nfs/dbraw/zinc/55/97/71/453559771.db2.gz KZKKEEOIXQAZNB-FGTMMUONSA-N 2 0 335.492 1.335 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000662836721 453561963 /nfs/dbraw/zinc/56/19/63/453561963.db2.gz COUMHUAYQXPWTR-WPECMILSSA-N 2 0 335.492 1.652 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000662846329 453568563 /nfs/dbraw/zinc/56/85/63/453568563.db2.gz KZEDNUPLTDNQPH-WDSOQIARSA-N 2 0 349.519 1.914 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000667338871 453569053 /nfs/dbraw/zinc/56/90/53/453569053.db2.gz TZMGLIJDNLSCRV-GOSISDBHSA-N 2 0 334.508 1.988 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858715 453574081 /nfs/dbraw/zinc/57/40/81/453574081.db2.gz HQGGEOJWQNLDLB-QZTJIDSGSA-N 2 0 345.487 1.648 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000662860526 453575367 /nfs/dbraw/zinc/57/53/67/453575367.db2.gz SIWWITVXAAZZIE-BJLQDIEVSA-N 2 0 343.471 1.259 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662859882 453575511 /nfs/dbraw/zinc/57/55/11/453575511.db2.gz PPXUMXVXOBYLTJ-GOSISDBHSA-N 2 0 343.471 1.544 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000662867290 453579696 /nfs/dbraw/zinc/57/96/96/453579696.db2.gz WTOBRNFKGKKKFW-JDFRZJQESA-N 2 0 337.414 1.916 20 0 EDADRP CN(C(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899458 453593541 /nfs/dbraw/zinc/59/35/41/453593541.db2.gz DCXXFSOKJOQXDR-RCCFBDPRSA-N 2 0 334.508 1.144 20 0 EDADRP C[NH+](C)CC1(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCC1 ZINC000659041788 453595708 /nfs/dbraw/zinc/59/57/08/453595708.db2.gz IZFSZZJIDCEPBM-MRXNPFEDSA-N 2 0 332.448 1.953 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000665287750 453636779 /nfs/dbraw/zinc/63/67/79/453636779.db2.gz SVYDSDALVGWXRS-NXHRZFHOSA-N 2 0 337.508 1.770 20 0 EDADRP C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665292961 453639452 /nfs/dbraw/zinc/63/94/52/453639452.db2.gz NMTGGQTUYTYAGY-GOEBONIOSA-N 2 0 341.459 1.641 20 0 EDADRP C[C@@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000665292160 453639613 /nfs/dbraw/zinc/63/96/13/453639613.db2.gz USXFKHSOTAYIDH-CJNGLKHVSA-N 2 0 327.432 1.394 20 0 EDADRP Cc1ccccc1-n1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1 ZINC000665325404 453651653 /nfs/dbraw/zinc/65/16/53/453651653.db2.gz VDPVIPOBDOJDEF-UHFFFAOYSA-N 2 0 344.463 1.141 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC[N@@H+]1CC(C)(C)O ZINC000665358321 453665800 /nfs/dbraw/zinc/66/58/00/453665800.db2.gz CWSPFAFKDLADRM-LSDHHAIUSA-N 2 0 340.512 1.346 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665460400 453699937 /nfs/dbraw/zinc/69/99/37/453699937.db2.gz KKDYVUDICHHMGA-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC2([NH3+])CCC2)cc1F ZINC000659355458 453726022 /nfs/dbraw/zinc/72/60/22/453726022.db2.gz JIQBMNDWQREITK-ZFWWWQNUSA-N 2 0 335.423 1.668 20 0 EDADRP COC[C@@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000661157859 453740079 /nfs/dbraw/zinc/74/00/79/453740079.db2.gz JVJMYPJFPJUXOZ-GOSISDBHSA-N 2 0 327.513 1.434 20 0 EDADRP COC[C@@H](C)Oc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000657296969 453759017 /nfs/dbraw/zinc/75/90/17/453759017.db2.gz YRIAMLRCSKMOEK-QGZVFWFLSA-N 2 0 335.492 1.827 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661395743 453808407 /nfs/dbraw/zinc/80/84/07/453808407.db2.gz IROYTPRZBPYXRM-CVEARBPZSA-N 2 0 340.512 1.515 20 0 EDADRP Cc1ccncc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512906 453813449 /nfs/dbraw/zinc/81/34/49/453813449.db2.gz PURJHLSRESYDAJ-MRXNPFEDSA-N 2 0 340.475 1.902 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2[C@@H](C)CO)CC1 ZINC000661432388 453817441 /nfs/dbraw/zinc/81/74/41/453817441.db2.gz BIIBQGOTBVRILR-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](C)[C@H]1CN(C)CCO1)CC(C)C ZINC000676245475 486705132 /nfs/dbraw/zinc/70/51/32/486705132.db2.gz MODFKYYJGUAPBA-IXDOHACOSA-N 2 0 342.528 1.761 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(S(C)(=O)=O)CC1 ZINC000671726548 486733007 /nfs/dbraw/zinc/73/30/07/486733007.db2.gz ROOIWZIHLAKCDQ-AWEZNQCLSA-N 2 0 340.489 1.682 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680326320 486750753 /nfs/dbraw/zinc/75/07/53/486750753.db2.gz LKMGSDIIJJNIBC-LJQANCHMSA-N 2 0 341.459 1.872 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687316 486761561 /nfs/dbraw/zinc/76/15/61/486761561.db2.gz KQKAOGRCLAKMIO-HOCLYGCPSA-N 2 0 334.468 1.535 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416832272 486787066 /nfs/dbraw/zinc/78/70/66/486787066.db2.gz WBVKXDKZHWKSGJ-QGZVFWFLSA-N 2 0 334.464 1.693 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417815226 486814500 /nfs/dbraw/zinc/81/45/00/486814500.db2.gz SRIMKNYLRKFYTG-GDBMZVCRSA-N 2 0 326.485 1.445 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(Cc2cnc3n2CCC3)CC1 ZINC000667564699 486848739 /nfs/dbraw/zinc/84/87/39/486848739.db2.gz WKPNQIZKFXZKLC-CALCHBBNSA-N 2 0 331.508 1.820 20 0 EDADRP CN(CCCC[NH+](C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000683945207 486876135 /nfs/dbraw/zinc/87/61/35/486876135.db2.gz IRQIQXGGVXOWDV-UHFFFAOYSA-N 2 0 327.494 1.711 20 0 EDADRP CCn1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000667700086 486920557 /nfs/dbraw/zinc/92/05/57/486920557.db2.gz RDJPHGTUXAXXGY-OAHLLOKOSA-N 2 0 336.484 1.783 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667749338 486947687 /nfs/dbraw/zinc/94/76/87/486947687.db2.gz VTJHFKVEYREGDF-UHFFFAOYSA-N 2 0 333.480 1.337 20 0 EDADRP Cc1c(C[NH+](C)C/C=C/C[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000684106530 486947368 /nfs/dbraw/zinc/94/73/68/486947368.db2.gz SAMQZQHVGXYWFQ-BQYQJAHWSA-N 2 0 330.480 1.890 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000673670669 487085579 /nfs/dbraw/zinc/08/55/79/487085579.db2.gz KAHJZWUOHIUJCP-PKOBYXMFSA-N 2 0 331.460 1.034 20 0 EDADRP CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)C(C)(C)C[NH+]1CCCC1 ZINC000668070037 487088567 /nfs/dbraw/zinc/08/85/67/487088567.db2.gz VWIGBVQFWJOHKV-UHFFFAOYSA-N 2 0 348.491 1.968 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000673867167 487139584 /nfs/dbraw/zinc/13/95/84/487139584.db2.gz JXQAGFUBJBNCAN-MRXNPFEDSA-N 2 0 334.468 1.537 20 0 EDADRP CN1CCN(C(=O)[C@H]2CCc3nccn3C2)C[C@H]1Cc1ccccc1 ZINC000671927555 487156459 /nfs/dbraw/zinc/15/64/59/487156459.db2.gz DOJIBSKNHNZAFR-ZWKOTPCHSA-N 2 0 338.455 1.831 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000673992376 487178810 /nfs/dbraw/zinc/17/88/10/487178810.db2.gz FLOSYCSODNZIFC-CVEARBPZSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000674165343 487209861 /nfs/dbraw/zinc/20/98/61/487209861.db2.gz VWQJGGQMBXDKQD-HOTGVXAUSA-N 2 0 338.496 1.080 20 0 EDADRP C[C@@H](C(=O)NC1CCC(CN(C)C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000674289074 487228557 /nfs/dbraw/zinc/22/85/57/487228557.db2.gz ZHWNXGFSNJEQEI-FXQLRMTLSA-N 2 0 340.512 1.020 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CN2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674323147 487236109 /nfs/dbraw/zinc/23/61/09/487236109.db2.gz JJKWOZISYFFUCU-MJGOQNOKSA-N 2 0 344.503 1.403 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000685442575 487275330 /nfs/dbraw/zinc/27/53/30/487275330.db2.gz ANCNTLJSUIPGPI-GDBMZVCRSA-N 2 0 331.526 1.558 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000685442578 487276068 /nfs/dbraw/zinc/27/60/68/487276068.db2.gz ANCNTLJSUIPGPI-ZBFHGGJFSA-N 2 0 331.526 1.558 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682100501 487302698 /nfs/dbraw/zinc/30/26/98/487302698.db2.gz DRFJSTRTWRFTMY-UHFFFAOYSA-N 2 0 330.392 1.111 20 0 EDADRP CCN1CC[N@H+](CC2(CN3CC[NH+](CC)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000679854752 487468988 /nfs/dbraw/zinc/46/89/88/487468988.db2.gz GQJGTSJGYCWMHI-ROUUACIJSA-N 2 0 338.540 1.055 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000668982985 485524344 /nfs/dbraw/zinc/52/43/44/485524344.db2.gz HLIRAPHBSUHEQS-SFHVURJKSA-N 2 0 328.460 1.799 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000669529887 485504700 /nfs/dbraw/zinc/50/47/00/485504700.db2.gz HXJNRSUUYIOVEF-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP Cc1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)c(N2CCCC2)n1 ZINC000669556007 485559008 /nfs/dbraw/zinc/55/90/08/485559008.db2.gz SXGYAADYHZYZHK-LSDHHAIUSA-N 2 0 331.464 1.882 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669573787 485605851 /nfs/dbraw/zinc/60/58/51/485605851.db2.gz WIPRRNNQBKVBET-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP CC1CCC(NC(=O)CN2CCC[C@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670985397 485608880 /nfs/dbraw/zinc/60/88/80/485608880.db2.gz SIGAJGIKUSMELK-ABHNRTSZSA-N 2 0 337.508 1.868 20 0 EDADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC1C[NH2+]C1 ZINC000669581467 485628041 /nfs/dbraw/zinc/62/80/41/485628041.db2.gz JMRGCGDYZXYCSX-KRWDZBQOSA-N 2 0 330.476 1.806 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669591331 485647728 /nfs/dbraw/zinc/64/77/28/485647728.db2.gz QKLKOWJFGICSAH-IRXDYDNUSA-N 2 0 338.496 1.130 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000669220999 485825282 /nfs/dbraw/zinc/82/52/82/485825282.db2.gz LRAHUPHCZUFXDP-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000668623242 485963356 /nfs/dbraw/zinc/96/33/56/485963356.db2.gz GEEFGRLDBZNTGN-DZKIICNBSA-N 2 0 336.436 1.174 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cc(F)cc(Br)c1 ZINC000093996577 486000141 /nfs/dbraw/zinc/00/01/41/486000141.db2.gz JSKHHGLMQUCOCU-UHFFFAOYSA-N 2 0 330.245 1.925 20 0 EDADRP CN(C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668688093 486047844 /nfs/dbraw/zinc/04/78/44/486047844.db2.gz KAMFXGPZSZASPA-QGZVFWFLSA-N 2 0 348.491 1.815 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000669396963 486054716 /nfs/dbraw/zinc/05/47/16/486054716.db2.gz HXBGAVQGLDIMHL-KRWDZBQOSA-N 2 0 331.464 1.487 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(Cc2ccccc2-n2cncn2)CCO1 ZINC000668785573 486194931 /nfs/dbraw/zinc/19/49/31/486194931.db2.gz SHDOIWFVQOOGKZ-QGZVFWFLSA-N 2 0 329.448 1.810 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483564 486249261 /nfs/dbraw/zinc/24/92/61/486249261.db2.gz BGQZROMOSYVLCZ-SFHVURJKSA-N 2 0 348.491 1.749 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)ccc1F ZINC000669485183 486250767 /nfs/dbraw/zinc/25/07/67/486250767.db2.gz ZBKQYIJBJXBSEC-PBHICJAKSA-N 2 0 334.439 1.781 20 0 EDADRP Cn1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)c([C@H]2CCC[NH2+]C2)n1 ZINC000516658417 486632023 /nfs/dbraw/zinc/63/20/23/486632023.db2.gz NEDBKMYWSTWAKG-FVRSWCFKSA-N 2 0 331.464 1.231 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073642897 491008996 /nfs/dbraw/zinc/00/89/96/491008996.db2.gz XPQATOKSXNDEQX-KRWDZBQOSA-N 2 0 346.519 1.894 20 0 EDADRP CN(CCC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)c1cc[nH+]cc1 ZINC000679409374 491011148 /nfs/dbraw/zinc/01/11/48/491011148.db2.gz ZTOBATNFSVIOES-INIZCTEOSA-N 2 0 345.491 1.193 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000592487252 491018701 /nfs/dbraw/zinc/01/87/01/491018701.db2.gz SDFNMNFWCOAYIA-KBXCAEBGSA-N 2 0 336.480 1.609 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[C@@H](C)O1 ZINC000669007227 491184983 /nfs/dbraw/zinc/18/49/83/491184983.db2.gz MAUHVPRDWPZHHR-VQHPVUNQSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000154902892 533819541 /nfs/dbraw/zinc/81/95/41/533819541.db2.gz LCWIIHVXECXWTA-HNNXBMFYSA-N 2 0 334.464 1.626 20 0 EDADRP C(O[C@H]1CC[NH2+]C1)C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000530247585 517308336 /nfs/dbraw/zinc/30/83/36/517308336.db2.gz AXVCZEFLPHKRIY-AWEZNQCLSA-N 2 0 336.505 1.379 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000089962859 534902245 /nfs/dbraw/zinc/90/22/45/534902245.db2.gz QXQLCTCGSPOPFD-FGTMMUONSA-N 2 0 333.476 1.324 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000270561036 536455614 /nfs/dbraw/zinc/45/56/14/536455614.db2.gz SXOXFTLNQKFXJY-SJORKVTESA-N 2 0 346.475 1.188 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074008409 535070183 /nfs/dbraw/zinc/07/01/83/535070183.db2.gz LUIHIXCUZQHDQN-UHFFFAOYSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)n1nccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261787892 535146334 /nfs/dbraw/zinc/14/63/34/535146334.db2.gz FZYJCJAYHHCYGP-WBVHZDCISA-N 2 0 333.480 1.544 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000345854997 535199945 /nfs/dbraw/zinc/19/99/45/535199945.db2.gz XYGVLTHPXATLLN-QRVBRYPASA-N 2 0 339.524 1.264 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC1 ZINC000263676361 535681882 /nfs/dbraw/zinc/68/18/82/535681882.db2.gz MLSWOPKWKBUHAO-LJQANCHMSA-N 2 0 346.519 1.742 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)CCC[NH3+])CC1 ZINC000263249103 535747059 /nfs/dbraw/zinc/74/70/59/535747059.db2.gz IUUBYCAFQLGBIY-CQSZACIVSA-N 2 0 336.455 1.884 20 0 EDADRP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000346932642 535788189 /nfs/dbraw/zinc/78/81/89/535788189.db2.gz HRDCXZDGAXEZRQ-HZPDHXFCSA-N 2 0 327.513 1.875 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)cc1 ZINC000237194368 535905161 /nfs/dbraw/zinc/90/51/61/535905161.db2.gz PTTPEYKFRDJWRF-LJQANCHMSA-N 2 0 341.455 1.986 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000262144517 536036540 /nfs/dbraw/zinc/03/65/40/536036540.db2.gz HKGQGSZNFHHPRB-UHFFFAOYSA-N 2 0 327.432 1.662 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262703601 536050231 /nfs/dbraw/zinc/05/02/31/536050231.db2.gz CTDXUWPRFWFEAG-AWEZNQCLSA-N 2 0 328.420 1.517 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC34CC[NH2+]CC4)CCCC2)CC1 ZINC000261893741 536753942 /nfs/dbraw/zinc/75/39/42/536753942.db2.gz CMRFFTMIKCDVHM-KRWDZBQOSA-N 2 0 349.519 1.916 20 0 EDADRP COC[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248399461 536754308 /nfs/dbraw/zinc/75/43/08/536754308.db2.gz OVKKINKBMBJEEL-SJLPKXTDSA-N 2 0 333.476 1.764 20 0 EDADRP CO[C@@H](C)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263821777 536868517 /nfs/dbraw/zinc/86/85/17/536868517.db2.gz KACZUMIAHXVRAC-INIZCTEOSA-N 2 0 349.479 1.318 20 0 EDADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccccc1C(=O)NC1CC1 ZINC000728913853 578554244 /nfs/dbraw/zinc/55/42/44/578554244.db2.gz XWZASANVKLBSAY-OKILXGFUSA-N 2 0 342.443 1.059 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760467106 580031437 /nfs/dbraw/zinc/03/14/37/580031437.db2.gz POYOQNAQRBNGOQ-UHFFFAOYSA-N 2 0 326.554 1.913 20 0 EDADRP C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000760474299 580031558 /nfs/dbraw/zinc/03/15/58/580031558.db2.gz ILHRORNBYVTCHC-CABCVRRESA-N 2 0 326.554 1.913 20 0 EDADRP C[C@H](CNC(=O)NCCN1CCO[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000732459554 578713694 /nfs/dbraw/zinc/71/36/94/578713694.db2.gz XAIYLKRZAVAOPS-SJORKVTESA-N 2 0 348.491 1.527 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000732834646 578732431 /nfs/dbraw/zinc/73/24/31/578732431.db2.gz TWPKVTCABSLCMA-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)NCC1([NH+](C)C)CCOCC1 ZINC000733753463 578783645 /nfs/dbraw/zinc/78/36/45/578783645.db2.gz LNBHBCGIQJKWGO-UHFFFAOYSA-N 2 0 330.542 1.149 20 0 EDADRP CC(C)[C@@H]1CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)CC1 ZINC000738240331 579176250 /nfs/dbraw/zinc/17/62/50/579176250.db2.gz NWBRRGHFWVJDTR-OAHLLOKOSA-N 2 0 336.480 1.718 20 0 EDADRP CC(C)[C@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000749325437 579721737 /nfs/dbraw/zinc/72/17/37/579721737.db2.gz TXUOCEXDWSCHII-QAPCUYQASA-N 2 0 343.512 1.972 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCC[NH+](C)C ZINC000751012531 579791415 /nfs/dbraw/zinc/79/14/15/579791415.db2.gz VQLTYOWWFXACKY-INIZCTEOSA-N 3 0 343.585 1.161 20 0 EDADRP CCC[C@@H]1CN(C(=S)NCCC[NH+](C)C)CC[N@@H+]1CCOC ZINC000766698973 580172162 /nfs/dbraw/zinc/17/21/62/580172162.db2.gz FCIBWEILZOFXJQ-OAHLLOKOSA-N 2 0 330.542 1.245 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000768478336 580214481 /nfs/dbraw/zinc/21/44/81/580214481.db2.gz BSUAJFKFYVJKDX-LSDHHAIUSA-N 2 0 326.554 1.865 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000781221989 580544701 /nfs/dbraw/zinc/54/47/01/580544701.db2.gz CPIAWFMCQLDWEI-MRXNPFEDSA-N 2 0 327.513 1.802 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cn(C)cn2)[C@H](C)C1 ZINC000893051127 590635162 /nfs/dbraw/zinc/63/51/62/590635162.db2.gz RBDZZZXXCYHMIW-ZBFHGGJFSA-N 2 0 337.468 1.356 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@H](C)C1 ZINC000806541244 590636724 /nfs/dbraw/zinc/63/67/24/590636724.db2.gz HUYRDXFRRXXBAS-IAGOWNOFSA-N 2 0 342.528 1.595 20 0 EDADRP COCCC1(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000891851834 590654980 /nfs/dbraw/zinc/65/49/80/590654980.db2.gz RNCZOOVTRLBQML-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000891917005 590687889 /nfs/dbraw/zinc/68/78/89/590687889.db2.gz DOZHFUOVGACQNO-KRWDZBQOSA-N 2 0 326.485 1.115 20 0 EDADRP COCCC1(NC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000891953811 590703974 /nfs/dbraw/zinc/70/39/74/590703974.db2.gz BTVSKOAABQFGJZ-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000891998455 590736354 /nfs/dbraw/zinc/73/63/54/590736354.db2.gz FVOWTLNMDOZNCW-WMLDXEAASA-N 2 0 332.448 1.351 20 0 EDADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)NC[C@H]([NH3+])C(C)C)C2)cc1 ZINC000892019702 590750428 /nfs/dbraw/zinc/75/04/28/590750428.db2.gz RIXHDOFLJIDMBS-ROUUACIJSA-N 2 0 348.491 1.478 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000892043984 590769084 /nfs/dbraw/zinc/76/90/84/590769084.db2.gz FGAIVLGILILPOV-FZMZJTMJSA-N 2 0 326.391 1.750 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000892050585 590774342 /nfs/dbraw/zinc/77/43/42/590774342.db2.gz DPOFCGXNDFYIDW-WMZOPIPTSA-N 2 0 348.491 1.290 20 0 EDADRP CCn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)c(C)n1 ZINC000893351395 590797300 /nfs/dbraw/zinc/79/73/00/590797300.db2.gz BYLGPQQJUIWANM-UHFFFAOYSA-N 2 0 343.475 1.793 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)nc12 ZINC000893382136 590820839 /nfs/dbraw/zinc/82/08/39/590820839.db2.gz NBVKSYQAWTTYLU-HOCLYGCPSA-N 2 0 327.432 1.531 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892145146 590820968 /nfs/dbraw/zinc/82/09/68/590820968.db2.gz LBYRFMGNPKOKNE-XYVMCAHJSA-N 2 0 330.476 1.886 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000892256676 590889602 /nfs/dbraw/zinc/88/96/02/590889602.db2.gz CTEYPWONIYSIJW-MVJTYMMSSA-N 2 0 344.459 1.287 20 0 EDADRP CN(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892400528 591012118 /nfs/dbraw/zinc/01/21/18/591012118.db2.gz SWUCLOLYXGRYDD-SJLPKXTDSA-N 2 0 330.476 1.825 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000892414918 591018878 /nfs/dbraw/zinc/01/88/78/591018878.db2.gz VJRRTVCUVLZTED-ZJPYXAASSA-N 2 0 330.476 1.776 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892438866 591028743 /nfs/dbraw/zinc/02/87/43/591028743.db2.gz JICQXTNOKDJGFT-WKILWMFISA-N 2 0 339.528 1.219 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000892455886 591033488 /nfs/dbraw/zinc/03/34/88/591033488.db2.gz PNXGPGGDWUHAPF-LPMVOBIJSA-N 2 0 336.480 1.280 20 0 EDADRP CC[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000891346558 591052508 /nfs/dbraw/zinc/05/25/08/591052508.db2.gz CRAQBOVGNJBTBQ-FHLIZLRMSA-N 2 0 330.476 1.860 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000892569710 591076003 /nfs/dbraw/zinc/07/60/03/591076003.db2.gz FREZDVYPLXQLMS-UHFFFAOYSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891457145 591078728 /nfs/dbraw/zinc/07/87/28/591078728.db2.gz WYTNKZYSJQHBHJ-QFBILLFUSA-N 2 0 346.475 1.378 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892592502 591084529 /nfs/dbraw/zinc/08/45/29/591084529.db2.gz AEIHZTFQNPYQRK-JONQDZQNSA-N 2 0 338.496 1.004 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@@H+]1CC(C)(C)O ZINC000892594960 591086208 /nfs/dbraw/zinc/08/62/08/591086208.db2.gz ZBTGOPFIBZZKRC-LVQVYYBASA-N 2 0 338.496 1.004 20 0 EDADRP CCn1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)nn1 ZINC000892619424 591099541 /nfs/dbraw/zinc/09/95/41/591099541.db2.gz ZLJFPDTXZKOMCO-UHFFFAOYSA-N 2 0 342.491 1.990 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000891561627 591126009 /nfs/dbraw/zinc/12/60/09/591126009.db2.gz WXMYIQUJZFDNGQ-INIZCTEOSA-N 3 0 339.528 1.315 20 0 EDADRP Cn1cnc(CNC(=O)N[C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)c1 ZINC000893922555 591138951 /nfs/dbraw/zinc/13/89/51/591138951.db2.gz GRKJSJIPMWJMLG-JKSUJKDBSA-N 2 0 349.385 1.943 20 0 EDADRP O=S1CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000892756624 591162054 /nfs/dbraw/zinc/16/20/54/591162054.db2.gz FDYILPUBLICJAJ-UHFFFAOYSA-N 2 0 336.505 1.094 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892756771 591162068 /nfs/dbraw/zinc/16/20/68/591162068.db2.gz RXLOTRPYEHJVMF-MRXNPFEDSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000892756623 591162173 /nfs/dbraw/zinc/16/21/73/591162173.db2.gz FCGITATXFIVYPI-MRXNPFEDSA-N 2 0 348.491 1.914 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000891663942 591175811 /nfs/dbraw/zinc/17/58/11/591175811.db2.gz DYLLDZZZRXSQKR-HUUCEWRRSA-N 2 0 340.512 1.421 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891673025 591178764 /nfs/dbraw/zinc/17/87/64/591178764.db2.gz GNMIKHOOCOHMCH-FZKQIMNGSA-N 2 0 328.460 1.614 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892789224 591179413 /nfs/dbraw/zinc/17/94/13/591179413.db2.gz MFCRWQYEHUZUQH-IEBWSBKVSA-N 2 0 328.460 1.486 20 0 EDADRP COC1CCC(C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000892794828 591182563 /nfs/dbraw/zinc/18/25/63/591182563.db2.gz WZUNDNITARNSTF-OFLPRAFFSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892803379 591182739 /nfs/dbraw/zinc/18/27/39/591182739.db2.gz RLBUJQTUDBOYRM-GBESFXJTSA-N 2 0 342.487 1.827 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891703984 591193003 /nfs/dbraw/zinc/19/30/03/591193003.db2.gz MUGUPWPYBNFRBJ-ROKHWSDSSA-N 2 0 332.439 1.651 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000892936267 591230152 /nfs/dbraw/zinc/23/01/52/591230152.db2.gz ZNJUXZKYFIOMOI-NEPJUHHUSA-N 2 0 336.402 1.769 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000892951730 591237477 /nfs/dbraw/zinc/23/74/77/591237477.db2.gz QSAYBTBQDPIJBV-JYJNAYRXSA-N 2 0 330.444 1.447 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cs1 ZINC000894239112 591241148 /nfs/dbraw/zinc/24/11/48/591241148.db2.gz YBVSSARFJOPBCG-CYBMUJFWSA-N 2 0 325.478 1.508 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CCOCC1 ZINC000892971683 591243848 /nfs/dbraw/zinc/24/38/48/591243848.db2.gz BYQCCPWFWLOEHP-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCC34CC[NH+](C)CC4)C2)CC1 ZINC000893025202 591257027 /nfs/dbraw/zinc/25/70/27/591257027.db2.gz YQOMVWWJUVWRGT-MRXNPFEDSA-N 2 0 349.523 1.035 20 0 EDADRP CN1CCN(c2ncc(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)cn2)CC1 ZINC000895844354 591283178 /nfs/dbraw/zinc/28/31/78/591283178.db2.gz DTPSFBXHAUFJKU-DLBZAZTESA-N 2 0 331.464 1.229 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000895900142 591299908 /nfs/dbraw/zinc/29/99/08/591299908.db2.gz YXIMSNLOUFRZRQ-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]1CO[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000896017592 591324305 /nfs/dbraw/zinc/32/43/05/591324305.db2.gz MYODPESUWOAQRM-WBVHZDCISA-N 2 0 332.448 1.135 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C1 ZINC000898480450 591372527 /nfs/dbraw/zinc/37/25/27/591372527.db2.gz HPYZQBJVJFQUOP-ZBFHGGJFSA-N 2 0 347.463 1.050 20 0 EDADRP CN(CCC[N@H+](C)Cc1c2c(nn1C)CCSC2)CC[NH+](C)C ZINC000894786477 591418006 /nfs/dbraw/zinc/41/80/06/591418006.db2.gz JBRAHRZWHQGZDQ-UHFFFAOYSA-N 2 0 339.553 1.525 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCOCC1 ZINC000896355706 591435377 /nfs/dbraw/zinc/43/53/77/591435377.db2.gz XLMCYAXPRGJYJX-QZTJIDSGSA-N 2 0 345.487 1.906 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894917581 591473675 /nfs/dbraw/zinc/47/36/75/591473675.db2.gz NXNFNKQWOBELOB-JTQLQIEISA-N 2 0 343.374 1.684 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000897483236 591489394 /nfs/dbraw/zinc/48/93/94/591489394.db2.gz MRHKKMPRGLBQCP-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC[NH+](C)CC1 ZINC000894951253 591496839 /nfs/dbraw/zinc/49/68/39/591496839.db2.gz JQIMYBBGLJHIJE-LSDHHAIUSA-N 2 0 340.537 1.692 20 0 EDADRP COC(=O)[C@@H]1[C@H](CN[C@H](CC[NH+](C)C)c2cccnc2)C1(F)F ZINC000896724162 591587829 /nfs/dbraw/zinc/58/78/29/591587829.db2.gz VGJOBTUOXWBVAZ-MJBXVCDLSA-N 2 0 327.375 1.718 20 0 EDADRP Cn1cc([C@@]2(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)CCCO2)cn1 ZINC000898053233 591756701 /nfs/dbraw/zinc/75/67/01/591756701.db2.gz VQZLDXXNGYCICB-SFHVURJKSA-N 2 0 336.480 1.251 20 0 EDADRP CN1C[C@H](O)C[C@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952700 591839443 /nfs/dbraw/zinc/83/94/43/591839443.db2.gz OZKWVSGKYDHVFN-SJLPKXTDSA-N 2 0 337.508 1.747 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)[NH+](C)C)cc1 ZINC000900013092 591863150 /nfs/dbraw/zinc/86/31/50/591863150.db2.gz GWPUYVNFRDFDNE-LNLFQRSKSA-N 2 0 333.476 1.423 20 0 EDADRP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897352897 591890361 /nfs/dbraw/zinc/89/03/61/591890361.db2.gz WZVWREWWXFNKDL-RLFYNMQTSA-N 2 0 335.492 1.476 20 0 EDADRP COc1c[nH]c(CO)c(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000902210416 591946211 /nfs/dbraw/zinc/94/62/11/591946211.db2.gz ITGRQJNOVLPBLT-UHFFFAOYSA-N 2 0 337.464 1.430 20 0 EDADRP CN1CCN(C)[C@H](C[NH2+][C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902345482 591977200 /nfs/dbraw/zinc/97/72/00/591977200.db2.gz DGGLEMGRXWNPAC-QAPCUYQASA-N 2 0 340.462 1.970 20 0 EDADRP C[C@@]1(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cc2)NC(=O)NC1=O ZINC000902345363 591977532 /nfs/dbraw/zinc/97/75/32/591977532.db2.gz JVIQZECDOUOBPP-KXBFYZLASA-N 2 0 344.459 1.609 20 0 EDADRP CN(C)S(=O)(=O)CC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902387334 591989322 /nfs/dbraw/zinc/98/93/22/591989322.db2.gz JOLHPYFEHPEQFB-HNNXBMFYSA-N 2 0 349.447 1.616 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2Cc3ccccc3[C@H]2N)CC[NH2+]CC1 ZINC000902434929 591995054 /nfs/dbraw/zinc/99/50/54/591995054.db2.gz QEAFNJWXVVSBIL-KBRIMQKVSA-N 2 0 331.460 1.522 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499816 592003210 /nfs/dbraw/zinc/00/32/10/592003210.db2.gz KSQDYOKGDDDYOO-LFEHRJTNSA-N 2 0 331.460 1.599 20 0 EDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502330 592003534 /nfs/dbraw/zinc/00/35/34/592003534.db2.gz TYNLYWGHTYBDIT-YZRFIYLOSA-N 3 0 343.471 1.584 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900411241 592011572 /nfs/dbraw/zinc/01/15/72/592011572.db2.gz FRAYMTJLPJLBBK-SFHVURJKSA-N 2 0 325.497 1.556 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccnn2CC[NH+](C)C)o1 ZINC000900417664 592013224 /nfs/dbraw/zinc/01/32/24/592013224.db2.gz JURADONCQKTEMU-UHFFFAOYSA-N 2 0 347.463 1.550 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900466349 592026275 /nfs/dbraw/zinc/02/62/75/592026275.db2.gz GMKHGYMELBVSIU-WMZOPIPTSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@@H](NC(=O)CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902805927 592063288 /nfs/dbraw/zinc/06/32/88/592063288.db2.gz HCEIFNWXEVWANI-VNQPRFMTSA-N 2 0 346.431 1.225 20 0 EDADRP CN(C(=O)CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000902811507 592068818 /nfs/dbraw/zinc/06/88/18/592068818.db2.gz XFLYQZNRHAFKGI-LSDHHAIUSA-N 2 0 332.404 1.011 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900628445 592076409 /nfs/dbraw/zinc/07/64/09/592076409.db2.gz ZSHXZSMKGYLBEM-ADKAHSJRSA-N 2 0 335.492 1.478 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000900660225 592084155 /nfs/dbraw/zinc/08/41/55/592084155.db2.gz RXDBLNGHORAYHY-HOTGVXAUSA-N 2 0 339.480 1.252 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@@H](CC(C)C)[NH+](C)C)C1 ZINC000900684606 592093356 /nfs/dbraw/zinc/09/33/56/592093356.db2.gz RYXKQBJYXLAGBC-HZPDHXFCSA-N 2 0 341.496 1.354 20 0 EDADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCO[C@@]34CCOC4)cc2)CC1 ZINC000903091712 592121527 /nfs/dbraw/zinc/12/15/27/592121527.db2.gz ZBVPWTIPFGEQOY-VQTJNVASSA-N 2 0 346.471 1.681 20 0 EDADRP CO[C@H]1CCC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000903139367 592125935 /nfs/dbraw/zinc/12/59/35/592125935.db2.gz HVHBBCXDBYZCPA-BZSNNMDCSA-N 2 0 333.476 1.433 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000903446002 592172975 /nfs/dbraw/zinc/17/29/75/592172975.db2.gz QVIKHOFQXBVNFC-MJGOQNOKSA-N 2 0 336.568 1.970 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900978198 592183843 /nfs/dbraw/zinc/18/38/43/592183843.db2.gz DNXZDQLEAYVJKT-UHFFFAOYSA-N 2 0 349.523 1.933 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)Nc1ccccc1C)C2 ZINC000903492026 592185083 /nfs/dbraw/zinc/18/50/83/592185083.db2.gz IKIHVHJUDSJTHI-GJRWTSMGSA-N 2 0 345.443 1.534 20 0 EDADRP C[C@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510809 592190557 /nfs/dbraw/zinc/19/05/57/592190557.db2.gz KTUUGEKGIMTPFT-QRQLOZEOSA-N 2 0 348.535 1.534 20 0 EDADRP CCCCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)no1 ZINC000903510432 592190680 /nfs/dbraw/zinc/19/06/80/592190680.db2.gz PLVFORLWVJIIQR-IYBDPMFKSA-N 2 0 333.480 1.813 20 0 EDADRP C[C@@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510911 592190842 /nfs/dbraw/zinc/19/08/42/592190842.db2.gz UHGDSUWMEQQYHE-YTQUADARSA-N 2 0 348.535 1.678 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903541202 592202004 /nfs/dbraw/zinc/20/20/04/592202004.db2.gz TVPKNEZZYSBAQF-BPLDGKMQSA-N 2 0 331.382 1.949 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026905 592203836 /nfs/dbraw/zinc/20/38/36/592203836.db2.gz QNERNOYYQHFKGU-FUHWJXTLSA-N 2 0 336.524 1.392 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC2(CC1)CNC(=O)c1ccccc1O2 ZINC000903564482 592211854 /nfs/dbraw/zinc/21/18/54/592211854.db2.gz WYQRIGROPZRFPH-CABCVRRESA-N 2 0 329.444 1.499 20 0 EDADRP O=C(CC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21)N1CC[NH2+]CC1 ZINC000903565414 592212182 /nfs/dbraw/zinc/21/21/82/592212182.db2.gz JYCHMDCGGFJHGV-MRXNPFEDSA-N 2 0 329.444 1.844 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CC1 ZINC000906651106 592234743 /nfs/dbraw/zinc/23/47/43/592234743.db2.gz POGHGFHXUVDTPI-OAHLLOKOSA-N 2 0 332.448 1.275 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC(C(C)(C)C[NH3+])CC2)cn1 ZINC000904359862 592238077 /nfs/dbraw/zinc/23/80/77/592238077.db2.gz FZXIVYROSGTHEN-UHFFFAOYSA-N 2 0 336.484 1.674 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906658125 592239800 /nfs/dbraw/zinc/23/98/00/592239800.db2.gz VTEOIRLSINTRIL-MLGOLLRUSA-N 2 0 344.459 1.418 20 0 EDADRP [NH3+]CCN1CCC([NH2+]Cc2ccc(OCC(F)(F)F)nc2)CC1 ZINC000904363058 592241185 /nfs/dbraw/zinc/24/11/85/592241185.db2.gz WLKNTWOWBYCCEC-UHFFFAOYSA-N 2 0 332.370 1.535 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906663040 592244800 /nfs/dbraw/zinc/24/48/00/592244800.db2.gz CCUAGWXZSVOFQA-GDBMZVCRSA-N 2 0 330.432 1.027 20 0 EDADRP Brc1ccc2ncc(CN3CC[NH2+]CC[NH2+]CC3)n2c1 ZINC000904398392 592252972 /nfs/dbraw/zinc/25/29/72/592252972.db2.gz OFWGOBYXJFCDLF-UHFFFAOYSA-N 2 0 338.253 1.092 20 0 EDADRP CN(C(=O)Nc1ccccc1CC[NH+](C)C)C1(C[NH3+])CCOCC1 ZINC000904430904 592254876 /nfs/dbraw/zinc/25/48/76/592254876.db2.gz NOTUSRVZJBOPNH-UHFFFAOYSA-N 2 0 334.464 1.762 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NC[C@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000904529385 592279885 /nfs/dbraw/zinc/27/98/85/592279885.db2.gz HAXOWFFOFFFZFG-CQSZACIVSA-N 2 0 334.468 1.804 20 0 EDADRP O=C(CC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)NC1CCCC1 ZINC000903725350 592285345 /nfs/dbraw/zinc/28/53/45/592285345.db2.gz BFVAVXXYNURBQK-ICSRJNTNSA-N 2 0 349.519 1.916 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713263 592291295 /nfs/dbraw/zinc/29/12/95/592291295.db2.gz KVOBUIDIRXYLTN-GFCCVEGCSA-N 2 0 343.830 1.645 20 0 EDADRP CCOC(=O)[C@@H]1C[C@H]1CN(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000903745610 592292372 /nfs/dbraw/zinc/29/23/72/592292372.db2.gz LELHSHKSLLCGAD-XHSDSOJGSA-N 2 0 346.475 1.563 20 0 EDADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753571 592296931 /nfs/dbraw/zinc/29/69/31/592296931.db2.gz WKSMYIHECWNQNR-HDMKZQKVSA-N 2 0 331.464 1.630 20 0 EDADRP CN1CCN(c2ccc(-c3noc([C@@H]4C[C@@H]5CC[C@H]4[NH2+]5)n3)cn2)CC1 ZINC000904657347 592297031 /nfs/dbraw/zinc/29/70/31/592297031.db2.gz DQVHXPYEBQQDBN-RRFJBIMHSA-N 2 0 340.431 1.491 20 0 EDADRP C([C@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000903737317 592300930 /nfs/dbraw/zinc/30/09/30/592300930.db2.gz RAXNXMMEAWWHQE-CRAIPNDOSA-N 2 0 331.464 1.172 20 0 EDADRP [NH3+][C@@H]1CCCn2nc(-c3nc([C@H]4CN5CCCC[C@H]5CO4)no3)cc21 ZINC000904644263 592301648 /nfs/dbraw/zinc/30/16/48/592301648.db2.gz OIXYODVBNKISHN-YWPYICTPSA-N 2 0 344.419 1.653 20 0 EDADRP Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741689 592302744 /nfs/dbraw/zinc/30/27/44/592302744.db2.gz RLYIZXSELULUJT-CVEARBPZSA-N 2 0 349.479 1.043 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903742009 592304106 /nfs/dbraw/zinc/30/41/06/592304106.db2.gz UJUJHCSSXONNJB-YQVWRLOYSA-N 2 0 330.476 1.892 20 0 EDADRP Cc1nsc(N2CCC[N@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903741931 592304383 /nfs/dbraw/zinc/30/43/83/592304383.db2.gz TVDXNQUABBATSM-HOCLYGCPSA-N 2 0 337.493 1.127 20 0 EDADRP COCCOCCOCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000903768761 592309696 /nfs/dbraw/zinc/30/96/96/592309696.db2.gz QHDIWWWBDADHHM-BRWVUGGUSA-N 2 0 330.469 1.027 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000901276980 592310632 /nfs/dbraw/zinc/31/06/32/592310632.db2.gz SPXNWAOOXQBPHS-SFHVURJKSA-N 2 0 325.497 1.414 20 0 EDADRP O=C1CCCCN1C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903756017 592313730 /nfs/dbraw/zinc/31/37/30/592313730.db2.gz ODOBEIVUHJEAEQ-KRWDZBQOSA-N 2 0 335.492 1.622 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(NC4=[NH+]CCC4)cc3)[C@H]2C1 ZINC000908096751 592314349 /nfs/dbraw/zinc/31/43/49/592314349.db2.gz LUUYXMGEPURLJH-IRXDYDNUSA-N 2 0 342.443 1.836 20 0 EDADRP NS(=O)(=O)c1ccc(C2CC[NH+](C[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000903823548 592334744 /nfs/dbraw/zinc/33/47/44/592334744.db2.gz HJIXCRPBYAJWKU-XJKSGUPXSA-N 2 0 337.489 1.641 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH+](C2CCCCC2)CC1 ZINC000903878297 592359247 /nfs/dbraw/zinc/35/92/47/592359247.db2.gz FTRNFSZYDIDCMH-QGZVFWFLSA-N 2 0 332.496 1.653 20 0 EDADRP C[N@H+](CCN1CCN(C[C@@H]([NH3+])CC(F)F)CC1)Cc1ccccc1 ZINC000903892349 592363673 /nfs/dbraw/zinc/36/36/73/592363673.db2.gz RFCVPSZAMUDAJN-KRWDZBQOSA-N 2 0 340.462 1.719 20 0 EDADRP COC(=O)[C@@H]1CC12CC[NH+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903908514 592373958 /nfs/dbraw/zinc/37/39/58/592373958.db2.gz KIHXMYLEBSBISV-HOCLYGCPSA-N 2 0 334.464 1.121 20 0 EDADRP CCC1CCC([N@H+](CCO)Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903912504 592375863 /nfs/dbraw/zinc/37/58/63/592375863.db2.gz FYUMUQNUWSEECR-OFLPRAFFSA-N 2 0 335.496 1.966 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)C[C@]2(O)CCOC2)C1 ZINC000905047684 592378266 /nfs/dbraw/zinc/37/82/66/592378266.db2.gz VGIBHZLFZDMNPF-XWTMOSNGSA-N 2 0 328.497 1.237 20 0 EDADRP COc1cccc(OCCC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903921097 592378334 /nfs/dbraw/zinc/37/83/34/592378334.db2.gz MYINVGATNDFYFQ-OAHLLOKOSA-N 2 0 345.447 1.770 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCn1cnc2ccccc21 ZINC000903922751 592378430 /nfs/dbraw/zinc/37/84/30/592378430.db2.gz DKNCQKUGHGIHEJ-AWEZNQCLSA-N 2 0 325.420 1.342 20 0 EDADRP CC(C)[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C1(CO)CCCC1 ZINC000903927807 592381119 /nfs/dbraw/zinc/38/11/19/592381119.db2.gz UDHLUITWVUXEHD-RDJZCZTQSA-N 2 0 335.496 1.870 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cnn1C ZINC000903929076 592382414 /nfs/dbraw/zinc/38/24/14/592382414.db2.gz AEBLRLAEUAOIEH-MNEFBYGVSA-N 3 0 349.523 1.064 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903931430 592384219 /nfs/dbraw/zinc/38/42/19/592384219.db2.gz DORGOZUPPSKYIO-QAPCUYQASA-N 2 0 326.448 1.261 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000903933612 592384760 /nfs/dbraw/zinc/38/47/60/592384760.db2.gz SYYIIDOTGPDZLA-QXAKKESOSA-N 2 0 340.475 1.438 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)C[C@H]2CCc3nccn3C2)cnn1C ZINC000903917529 592390833 /nfs/dbraw/zinc/39/08/33/592390833.db2.gz ZGNVXEULVIEXOB-HZPDHXFCSA-N 2 0 330.480 1.237 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903947787 592394190 /nfs/dbraw/zinc/39/41/90/592394190.db2.gz HVNDFNLGYBEEGD-KRWDZBQOSA-N 2 0 334.512 1.901 20 0 EDADRP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000906906021 592397085 /nfs/dbraw/zinc/39/70/85/592397085.db2.gz DZNHEFZRXFSULP-ZFWWWQNUSA-N 2 0 333.480 1.218 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C[C@@]1(O)CCOC1 ZINC000905071049 592402666 /nfs/dbraw/zinc/40/26/66/592402666.db2.gz MTFCKRDDOAGUSB-UFYCRDLUSA-N 2 0 348.487 1.533 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905108793 592410010 /nfs/dbraw/zinc/41/00/10/592410010.db2.gz BXPOUVAMYXRZRL-GOSISDBHSA-N 2 0 341.540 1.440 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2cccn2CCN2CCOCC2)C[N@@H+]1C1CC1 ZINC000906941554 592421322 /nfs/dbraw/zinc/42/13/22/592421322.db2.gz NSZMJHFKAIUPGG-HOTGVXAUSA-N 2 0 346.475 1.175 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCOC[C@@H]3C)CC2)C1 ZINC000908313636 592428884 /nfs/dbraw/zinc/42/88/84/592428884.db2.gz AFXOKRBUBPTEQO-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905150098 592439047 /nfs/dbraw/zinc/43/90/47/592439047.db2.gz XAOIWVDEKXWHLN-GFCCVEGCSA-N 2 0 347.372 1.551 20 0 EDADRP O[C@@H](C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1(O)CCC1 ZINC000905201808 592462901 /nfs/dbraw/zinc/46/29/01/592462901.db2.gz PMDXFXMVBLCYAG-IBGZPJMESA-N 2 0 348.487 1.569 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)cc2)CC1 ZINC000904282077 592468535 /nfs/dbraw/zinc/46/85/35/592468535.db2.gz QBNYCUUGOYYKOK-BPQIPLTHSA-N 2 0 343.475 1.843 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000905334940 592508742 /nfs/dbraw/zinc/50/87/42/592508742.db2.gz LLFYRWRDYAFMNB-UHFFFAOYSA-N 2 0 343.537 1.514 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1ccccc1F)C2 ZINC000905503038 592546285 /nfs/dbraw/zinc/54/62/85/592546285.db2.gz MUEXGYNFVXPWHT-GFEQUFNTSA-N 2 0 336.451 1.928 20 0 EDADRP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504491 592547013 /nfs/dbraw/zinc/54/70/13/592547013.db2.gz XMVKPGMUGRDABK-YYWYGQEZSA-N 2 0 328.497 1.233 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000905534145 592554140 /nfs/dbraw/zinc/55/41/40/592554140.db2.gz OAMVXPISZSCDAV-HFCFLWKCSA-N 2 0 340.508 1.930 20 0 EDADRP CN(C)c1cc[nH+]c(CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000905526174 592561434 /nfs/dbraw/zinc/56/14/34/592561434.db2.gz TXBLHPLJYJVWJA-LJQANCHMSA-N 2 0 328.460 1.730 20 0 EDADRP COC(=O)C1CC2(C1)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCS2 ZINC000905693219 592624059 /nfs/dbraw/zinc/62/40/59/592624059.db2.gz BFHWDMLBDNACMD-DGNOSDGRSA-N 2 0 342.505 1.250 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000907501552 592676355 /nfs/dbraw/zinc/67/63/55/592676355.db2.gz BTRCAOOIPVSRNW-GGPKGHCWSA-N 2 0 345.487 1.468 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000907762213 592781454 /nfs/dbraw/zinc/78/14/54/592781454.db2.gz INHBBUHPDPJLRO-SFHVURJKSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC000907806869 592789708 /nfs/dbraw/zinc/78/97/08/592789708.db2.gz IOMBEVHHQUZEOB-NXHRZFHOSA-N 2 0 335.492 1.715 20 0 EDADRP CC(C)(C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCC1 ZINC000906440053 592818522 /nfs/dbraw/zinc/81/85/22/592818522.db2.gz BYHOTQYTZURHQY-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000910424940 592861718 /nfs/dbraw/zinc/86/17/18/592861718.db2.gz NRIWFLFRFAQEDT-UHFFFAOYSA-N 2 0 333.432 1.670 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906645771 592865907 /nfs/dbraw/zinc/86/59/07/592865907.db2.gz NAIXQMSMHNCTQP-HNNXBMFYSA-N 2 0 346.475 1.712 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC1 ZINC000911112951 592935015 /nfs/dbraw/zinc/93/50/15/592935015.db2.gz IYYLUQWIAAJWJA-INIZCTEOSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@H](NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)[C@@H]1CCC[NH2+]C1 ZINC000911727625 592989515 /nfs/dbraw/zinc/98/95/15/592989515.db2.gz YHOLKJSZQVZZJY-NQBHXWOUSA-N 2 0 343.393 1.868 20 0 EDADRP C[C@@H]1[NH2+]CCn2c(C(=O)Nc3ccc(N4CC[NH2+]CC4)cn3)ccc21 ZINC000911736146 592993017 /nfs/dbraw/zinc/99/30/17/592993017.db2.gz OEMVGMWCZHQSOI-ZDUSSCGKSA-N 2 0 340.431 1.209 20 0 EDADRP [NH3+][C@H](CC(=O)N1CC[C@H]([NH3+])C1)Cc1ccc(Br)cc1 ZINC000911739338 592993806 /nfs/dbraw/zinc/99/38/06/592993806.db2.gz VHYJVDYIZOOJRD-STQMWFEESA-N 2 0 326.238 1.269 20 0 EDADRP CCCN(C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)[C@@H]1CC[NH2+]C1 ZINC000911765566 593000163 /nfs/dbraw/zinc/00/01/63/593000163.db2.gz CDTZKXRSDFIIHS-CHWSQXEVSA-N 2 0 343.393 1.964 20 0 EDADRP C[C@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C[C@H](C)[NH2+]1 ZINC000911801094 593012713 /nfs/dbraw/zinc/01/27/13/593012713.db2.gz YHQCRQKMQIJKLE-JBLDHEPKSA-N 2 0 329.366 1.573 20 0 EDADRP CC1(C)C[NH2+]CCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911848378 593025555 /nfs/dbraw/zinc/02/55/55/593025555.db2.gz TWTNLHZBYXHSOR-LLVKDONJSA-N 2 0 329.366 1.574 20 0 EDADRP Cn1ccnc1[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000911857012 593027999 /nfs/dbraw/zinc/02/79/99/593027999.db2.gz SCOFZFYENUSKHL-WOPDTQHZSA-N 2 0 330.354 1.809 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@H](C[NH3+])C2CCCCCC2)CC1 ZINC000911876102 593029584 /nfs/dbraw/zinc/02/95/84/593029584.db2.gz XNSWCFAOOMATLV-QGZVFWFLSA-N 2 0 325.497 1.888 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000912489311 593098714 /nfs/dbraw/zinc/09/87/14/593098714.db2.gz IBNULQFPLAZJSG-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000912586049 593106310 /nfs/dbraw/zinc/10/63/10/593106310.db2.gz JHQABLVRXVJAOQ-OAHLLOKOSA-N 2 0 325.497 1.458 20 0 EDADRP C[N@H+](CCCCNC(=O)NCc1ccnc(-n2ccnc2)c1)C1CC1 ZINC000838092989 593123091 /nfs/dbraw/zinc/12/30/91/593123091.db2.gz GNCOHTYDOHSSMC-UHFFFAOYSA-N 2 0 342.447 1.941 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=NO[C@@H](c2ccccc2)C1 ZINC000103213134 593220683 /nfs/dbraw/zinc/22/06/83/593220683.db2.gz ZFTCIDQEAOGQMU-QGZVFWFLSA-N 2 0 332.448 1.456 20 0 EDADRP O[C@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000838847599 593224062 /nfs/dbraw/zinc/22/40/62/593224062.db2.gz MZUHZBNRXCAUFI-WOJBJXKFSA-N 2 0 329.488 1.649 20 0 EDADRP CCOC(=O)CC(C)(C)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000838853105 593225651 /nfs/dbraw/zinc/22/56/51/593225651.db2.gz IVLBDEUHCUAWMO-DLBZAZTESA-N 2 0 339.524 1.924 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnsn1 ZINC000839116553 593263992 /nfs/dbraw/zinc/26/39/92/593263992.db2.gz SGJOVKXRNGIORB-LBPRGKRZSA-N 2 0 326.470 1.418 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCC3OCCCO3)CC2)CC1 ZINC000761121906 593411937 /nfs/dbraw/zinc/41/19/37/593411937.db2.gz IEBYSNYHOSVHNL-UHFFFAOYSA-N 2 0 325.497 1.630 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817894090 593646253 /nfs/dbraw/zinc/64/62/53/593646253.db2.gz AAMOIGXOXKOCRI-ZLKJLUDKSA-N 2 0 326.824 1.862 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000817898741 593646955 /nfs/dbraw/zinc/64/69/55/593646955.db2.gz JOLKJMUKQPCKTM-XJKSGUPXSA-N 2 0 338.423 1.770 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819059034 593736371 /nfs/dbraw/zinc/73/63/71/593736371.db2.gz BDSCTPVWGXAJEF-INIZCTEOSA-N 2 0 327.419 1.614 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)c1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000819061713 593736587 /nfs/dbraw/zinc/73/65/87/593736587.db2.gz MRESWSBLSLWBDQ-IRXDYDNUSA-N 2 0 341.446 1.860 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000819174090 593742756 /nfs/dbraw/zinc/74/27/56/593742756.db2.gz OHUWKTQHZDHLBC-KZNAEPCWSA-N 2 0 340.414 1.966 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)ccn1 ZINC000819195372 593743831 /nfs/dbraw/zinc/74/38/31/593743831.db2.gz BKJIHMDPIKBIKF-MRXNPFEDSA-N 2 0 334.395 1.379 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000819220264 593745038 /nfs/dbraw/zinc/74/50/38/593745038.db2.gz KZNOGIQZPWOLPQ-DZGCQCFKSA-N 2 0 327.469 1.502 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000820074064 593788721 /nfs/dbraw/zinc/78/87/21/593788721.db2.gz GEEWVLPUSHTWOX-KRWDZBQOSA-N 2 0 341.544 1.384 20 0 EDADRP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823697385 593836966 /nfs/dbraw/zinc/83/69/66/593836966.db2.gz KKZGPRIGRKDDAJ-SJORKVTESA-N 2 0 342.447 1.334 20 0 EDADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820812062 593895831 /nfs/dbraw/zinc/89/58/31/593895831.db2.gz BDGZDDGQGYCCHX-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820829854 593899262 /nfs/dbraw/zinc/89/92/62/593899262.db2.gz NBNSWIUEMVWESQ-ZBFHGGJFSA-N 2 0 339.505 1.680 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000824296005 593978877 /nfs/dbraw/zinc/97/88/77/593978877.db2.gz CROFYMLSWALYFC-UHFFFAOYSA-N 2 0 330.436 1.708 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOC3=O)C2)cc1 ZINC000824451089 594014982 /nfs/dbraw/zinc/01/49/82/594014982.db2.gz GYTCSBAWOPNIEM-QGZVFWFLSA-N 2 0 347.459 1.901 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCC[NH2+]2)[C@H](C)C1 ZINC000829757432 594256117 /nfs/dbraw/zinc/25/61/17/594256117.db2.gz FCIAXXUBSRZNPK-IXDOHACOSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C[C@H]([NH3+])C3CC3)ccc2oc1=O ZINC000827906376 594301446 /nfs/dbraw/zinc/30/14/46/594301446.db2.gz LQDDWOFXMWHURU-ZDUSSCGKSA-N 2 0 332.404 1.222 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000828139308 594349958 /nfs/dbraw/zinc/34/99/58/594349958.db2.gz PNSBOJZKRDAEGA-RDJZCZTQSA-N 2 0 344.459 1.450 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)NCCCCCC[NH3+])cn2)CC1 ZINC000831093505 594554671 /nfs/dbraw/zinc/55/46/71/594554671.db2.gz AWIKNFWEEYAXKB-UHFFFAOYSA-N 2 0 348.495 1.152 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000831099947 594556489 /nfs/dbraw/zinc/55/64/89/594556489.db2.gz RCGNFONUVLSMQJ-UHFFFAOYSA-N 2 0 333.480 1.864 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)C12CCC[NH+](CCC1)C2 ZINC000829221653 594583607 /nfs/dbraw/zinc/58/36/07/594583607.db2.gz MLCFOZLZKUYMJE-UHFFFAOYSA-N 2 0 335.492 1.433 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[C@H]([NH3+])C3CC3)CC2)c1 ZINC000826934371 594605315 /nfs/dbraw/zinc/60/53/15/594605315.db2.gz JBRJTCWODHEOBJ-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827091431 594638634 /nfs/dbraw/zinc/63/86/34/594638634.db2.gz WMHAUZSMZIAFMS-ZACQAIPSSA-N 2 0 342.528 1.857 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)C[NH+]2CCCC2)CCOCC1 ZINC000831600685 594686626 /nfs/dbraw/zinc/68/66/26/594686626.db2.gz XQBCWITXTWAODO-UHFFFAOYSA-N 2 0 345.487 1.880 20 0 EDADRP CCO[C@@H](CNC(=O)C1CCN(c2cc[nH+]cc2C)CC1)C[NH+](C)C ZINC000831744246 594698497 /nfs/dbraw/zinc/69/84/97/594698497.db2.gz NFGISCIULPHDLX-KRWDZBQOSA-N 2 0 348.491 1.689 20 0 EDADRP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000831999051 594718095 /nfs/dbraw/zinc/71/80/95/594718095.db2.gz YDYZAKGTPXDUJJ-QGZVFWFLSA-N 2 0 327.444 1.039 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)C1CC[NH+](C)CC1 ZINC000840797786 594816811 /nfs/dbraw/zinc/81/68/11/594816811.db2.gz AQWGBWMDFYINLX-ZBFHGGJFSA-N 2 0 326.481 1.722 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000841674409 594933934 /nfs/dbraw/zinc/93/39/34/594933934.db2.gz IOGVWGPSFQPYJO-PJPHBNEVSA-N 2 0 326.485 1.397 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000841897544 594976285 /nfs/dbraw/zinc/97/62/85/594976285.db2.gz ZRRRJFXCUBQCME-IEBWSBKVSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@]1(CNC(=O)N2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898571 594976766 /nfs/dbraw/zinc/97/67/66/594976766.db2.gz OAZPIDGFOZUVHO-IBGZPJMESA-N 2 0 330.476 1.904 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1([NH3+])CCC1 ZINC000841966529 594991151 /nfs/dbraw/zinc/99/11/51/594991151.db2.gz FFHBIXQGHMBRKU-IBGZPJMESA-N 2 0 346.475 1.146 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842244087 595052397 /nfs/dbraw/zinc/05/23/97/595052397.db2.gz GOCITCDNTZFDSJ-QGZVFWFLSA-N 2 0 348.491 1.196 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N(C)CCC[NH+](C)C)CC1 ZINC000867324621 595070839 /nfs/dbraw/zinc/07/08/39/595070839.db2.gz IWCSFSKHSNCULT-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP O[C@@H](c1ccc(Cl)cc1)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000843358351 595087276 /nfs/dbraw/zinc/08/72/76/595087276.db2.gz LRFVXKKLANFQNF-SFHVURJKSA-N 2 0 337.895 1.991 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000843388628 595097525 /nfs/dbraw/zinc/09/75/25/595097525.db2.gz UTIFBHMSUPXKMM-ZIAGYGMSSA-N 2 0 341.477 1.351 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000843489987 595128095 /nfs/dbraw/zinc/12/80/95/595128095.db2.gz VDGJYIAPCFMKHJ-AWEZNQCLSA-N 2 0 342.871 1.470 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000844163509 595287893 /nfs/dbraw/zinc/28/78/93/595287893.db2.gz LHCPSIIMAFYODP-UHFFFAOYSA-N 2 0 333.432 1.876 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000844171747 595291040 /nfs/dbraw/zinc/29/10/40/595291040.db2.gz RRILAIAPTGJAOQ-ZWKOTPCHSA-N 2 0 331.460 1.754 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844175145 595292492 /nfs/dbraw/zinc/29/24/92/595292492.db2.gz BEAGJSVOEBBUBK-NXHRZFHOSA-N 2 0 331.460 1.707 20 0 EDADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843124792 595293137 /nfs/dbraw/zinc/29/31/37/595293137.db2.gz GRPYKYITWKCRNM-HIFRSBDPSA-N 2 0 326.872 1.964 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183325 595294949 /nfs/dbraw/zinc/29/49/49/595294949.db2.gz XSQZFINHCVBJNN-HNNXBMFYSA-N 2 0 325.478 1.670 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000846698155 595303731 /nfs/dbraw/zinc/30/37/31/595303731.db2.gz CJPPZMDEONQWJB-BPQIPLTHSA-N 2 0 335.492 1.748 20 0 EDADRP Cn1ccnc1[C@@H]1CC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000846837812 595324427 /nfs/dbraw/zinc/32/44/27/595324427.db2.gz ICYJEJVFEPKUEZ-CQSZACIVSA-N 2 0 334.445 1.100 20 0 EDADRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000849072899 595478260 /nfs/dbraw/zinc/47/82/60/595478260.db2.gz PLSCOLLGVCDEQE-ZDUSSCGKSA-N 2 0 333.436 1.219 20 0 EDADRP CCn1ncnc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849093964 595480616 /nfs/dbraw/zinc/48/06/16/595480616.db2.gz RNZDMROHHQNIER-UHFFFAOYSA-N 2 0 341.463 1.577 20 0 EDADRP CC[N@H+](CC(=O)N1CCO[C@@H](C)C1)Cc1ccc(C[NH+](C)C)cc1 ZINC000859995193 595537185 /nfs/dbraw/zinc/53/71/85/595537185.db2.gz DRYRRDBVDUVVOS-INIZCTEOSA-N 2 0 333.476 1.817 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495276 595550719 /nfs/dbraw/zinc/55/07/19/595550719.db2.gz BSMHRRBWTMQHBS-ZWKOTPCHSA-N 2 0 347.507 1.448 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849519157 595556544 /nfs/dbraw/zinc/55/65/44/595556544.db2.gz ILAHJZLHJAPZDR-QZTJIDSGSA-N 2 0 347.507 1.398 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849583359 595581478 /nfs/dbraw/zinc/58/14/78/595581478.db2.gz SVCZKXQGOADOEO-QZTJIDSGSA-N 2 0 349.523 1.646 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)=NO1 ZINC000852864170 595584758 /nfs/dbraw/zinc/58/47/58/595584758.db2.gz YELYUYZSYJQACL-KRWDZBQOSA-N 2 0 344.459 1.782 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852865195 595584989 /nfs/dbraw/zinc/58/49/89/595584989.db2.gz UPBFYDYTOONEBE-KRWDZBQOSA-N 2 0 344.459 1.461 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852865755 595585743 /nfs/dbraw/zinc/58/57/43/595585743.db2.gz OCSXWCQVGPCFJB-FVQBIDKESA-N 2 0 330.432 1.259 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000852902093 595606870 /nfs/dbraw/zinc/60/68/70/595606870.db2.gz AIEBVPQCWHIRQB-SFHVURJKSA-N 2 0 329.444 1.179 20 0 EDADRP C[NH+]1CCC(CNC(=S)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000853030633 595646234 /nfs/dbraw/zinc/64/62/34/595646234.db2.gz ZGXQSMWPHDOHER-MRXNPFEDSA-N 2 0 340.537 1.046 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855346763 595682197 /nfs/dbraw/zinc/68/21/97/595682197.db2.gz LNNVWFMJIDJFIP-MAUKXSAKSA-N 2 0 344.519 1.587 20 0 EDADRP COC(=O)N(C)CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000850390217 595825657 /nfs/dbraw/zinc/82/56/57/595825657.db2.gz QRDMMQMISFFXRN-UHFFFAOYSA-N 2 0 335.448 1.949 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@](O)(C(N)=O)c2ccccc2)cc1 ZINC000859212406 596005710 /nfs/dbraw/zinc/00/57/10/596005710.db2.gz JCRUKXDKAHNFQV-HXUWFJFHSA-N 2 0 341.455 1.553 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859215693 596006903 /nfs/dbraw/zinc/00/69/03/596006903.db2.gz ONHZOXIBCBVLBY-UHFFFAOYSA-N 2 0 346.519 1.781 20 0 EDADRP COC(CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000852039432 596018071 /nfs/dbraw/zinc/01/80/71/596018071.db2.gz FBWSFOFEWQDKNA-IBGZPJMESA-N 2 0 347.503 1.888 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000861540764 596020730 /nfs/dbraw/zinc/02/07/30/596020730.db2.gz XXRPSYMFULMGRU-CQSZACIVSA-N 2 0 332.448 1.417 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H](COC)OC)C2)ccn1 ZINC000856583559 596021232 /nfs/dbraw/zinc/02/12/32/596021232.db2.gz JYZFWUFWYYNXIS-QZTJIDSGSA-N 2 0 337.464 1.648 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC3(CO)COC3)C2)ccn1 ZINC000856599935 596029610 /nfs/dbraw/zinc/02/96/10/596029610.db2.gz PDEYFYKFOONDDE-GOSISDBHSA-N 2 0 349.475 1.384 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000861567938 596031550 /nfs/dbraw/zinc/03/15/50/596031550.db2.gz SOCNYGOSAOWNIA-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856631837 596040340 /nfs/dbraw/zinc/04/03/40/596040340.db2.gz NLKGDMTZFKDKAE-WMLDXEAASA-N 2 0 334.464 1.463 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000861984525 596170132 /nfs/dbraw/zinc/17/01/32/596170132.db2.gz GNCKCDQWJLLVFG-BBWFWOEESA-N 2 0 337.508 1.961 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000866576845 596255736 /nfs/dbraw/zinc/25/57/36/596255736.db2.gz JWSYKZIEBFLYNI-AWEZNQCLSA-N 2 0 339.505 1.457 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000864609862 596281417 /nfs/dbraw/zinc/28/14/17/596281417.db2.gz GZCKLRJXAKGKBZ-ZDUSSCGKSA-N 2 0 344.500 1.145 20 0 EDADRP Cc1ccc(OCC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706809 596301871 /nfs/dbraw/zinc/30/18/71/596301871.db2.gz DNRHBGDYZAQOJR-UAGQMJEPSA-N 2 0 331.416 1.241 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870870386 596384434 /nfs/dbraw/zinc/38/44/34/596384434.db2.gz SIHQNQWZLNNKHE-UHFFFAOYSA-N 2 0 331.445 1.269 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000870896510 596394131 /nfs/dbraw/zinc/39/41/31/596394131.db2.gz LBAZDABSDFKNQO-RZDIXWSQSA-N 2 0 345.487 1.777 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935804 596411909 /nfs/dbraw/zinc/41/19/09/596411909.db2.gz SZRVWVQVWCSYJV-GXFFZTMASA-N 2 0 326.238 1.517 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H]2CCCC[NH+](C)C2)cn1 ZINC000862795807 596414486 /nfs/dbraw/zinc/41/44/86/596414486.db2.gz MFIDGMONDGUCAE-BPQIPLTHSA-N 2 0 347.507 1.304 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2F)CC1 ZINC000871012450 596438143 /nfs/dbraw/zinc/43/81/43/596438143.db2.gz UPEPBVMRTJEKPW-CQSZACIVSA-N 2 0 334.439 1.906 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000867657354 596484288 /nfs/dbraw/zinc/48/42/88/596484288.db2.gz FYAYEMMRKFSSHG-ZDUSSCGKSA-N 2 0 342.484 1.042 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc4c(cc[nH]c4=O)o3)C2)CC1 ZINC000865460355 596581858 /nfs/dbraw/zinc/58/18/58/596581858.db2.gz HXODKBYPXRRSDX-CYBMUJFWSA-N 2 0 330.432 1.792 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865773217 596677963 /nfs/dbraw/zinc/67/79/63/596677963.db2.gz JXHPBRWZJRSZQN-IRXDYDNUSA-N 2 0 342.443 1.455 20 0 EDADRP COCc1sccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016181 596708897 /nfs/dbraw/zinc/70/88/97/596708897.db2.gz FHDMDEXCPVIQNU-ZIAGYGMSSA-N 2 0 339.505 1.706 20 0 EDADRP C[C@@H]1Cc2cccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2O1 ZINC000870018115 596710099 /nfs/dbraw/zinc/71/00/99/596710099.db2.gz WBKGMEAZUGKJES-DJIMGWMZSA-N 2 0 345.487 1.821 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3cccnc32)C[C@H]1C[NH+](C)C ZINC000870018151 596710136 /nfs/dbraw/zinc/71/01/36/596710136.db2.gz NFMUZQZQEJMACO-ZACQAIPSSA-N 2 0 330.476 1.309 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870021646 596712015 /nfs/dbraw/zinc/71/20/15/596712015.db2.gz SEYMEEOVCCBEQK-BFYDXBDKSA-N 2 0 331.460 1.360 20 0 EDADRP Cc1noc(C)c1[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022850 596713131 /nfs/dbraw/zinc/71/31/31/596713131.db2.gz ASRKGQASQYUQAZ-APHBMKBZSA-N 2 0 336.480 1.593 20 0 EDADRP CCOC1CC2(C[C@@H]2C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870025794 596714587 /nfs/dbraw/zinc/71/45/87/596714587.db2.gz YIQFWOYZFXVUOY-FOVNGAOHSA-N 2 0 337.508 1.389 20 0 EDADRP COc1ccccc1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024486 596714595 /nfs/dbraw/zinc/71/45/95/596714595.db2.gz QHVVOOPUAPPDAU-IAGOWNOFSA-N 2 0 333.476 1.436 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC000119784112 596740851 /nfs/dbraw/zinc/74/08/51/596740851.db2.gz DRELQDKALPWCRS-UHFFFAOYSA-N 2 0 346.475 1.079 20 0 EDADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157027 596815691 /nfs/dbraw/zinc/81/56/91/596815691.db2.gz MZSUDBFNBIXRFL-ZBFHGGJFSA-N 2 0 339.480 1.285 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000872155006 596815782 /nfs/dbraw/zinc/81/57/82/596815782.db2.gz JGKNIEVDTIVGQW-JKSUJKDBSA-N 2 0 349.475 1.782 20 0 EDADRP CC(C)c1ncc(CN2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872254955 596855778 /nfs/dbraw/zinc/85/57/78/596855778.db2.gz GZRMSWUZNUDBIG-BNOWGMLFSA-N 2 0 336.461 1.633 20 0 EDADRP CC(=O)NCC1CCC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000866324967 596857073 /nfs/dbraw/zinc/85/70/73/596857073.db2.gz FGDXKGLKMGIWIU-UHFFFAOYSA-N 2 0 345.491 1.940 20 0 EDADRP CO[C@H]1CCCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875559831 596897425 /nfs/dbraw/zinc/89/74/25/596897425.db2.gz PIZLJLJQCJNQRO-NCOADZHNSA-N 2 0 340.512 1.325 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc2cccnc2c1 ZINC000874381945 597050107 /nfs/dbraw/zinc/05/01/07/597050107.db2.gz DMGGAVFPCJBOEU-UHFFFAOYSA-N 2 0 328.460 1.729 20 0 EDADRP O=C(C[NH+]1CCCC1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000874456396 597087593 /nfs/dbraw/zinc/08/75/93/597087593.db2.gz ANJYCAGWEWFLLQ-UHFFFAOYSA-N 2 0 331.460 1.873 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000873111699 597199647 /nfs/dbraw/zinc/19/96/47/597199647.db2.gz FWJRSXCUDDOLLP-HZMVEIRTSA-N 2 0 342.443 1.135 20 0 EDADRP c1c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)sc2c1C[NH2+]CC2 ZINC000873213047 597229676 /nfs/dbraw/zinc/22/96/76/597229676.db2.gz VPRGQONJFGNMJX-MRXNPFEDSA-N 3 0 335.517 1.984 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@@H](O)C3)C2)CC[NH2+]1 ZINC000873226720 597233367 /nfs/dbraw/zinc/23/33/67/597233367.db2.gz ACIOPHLXACVQJX-HSFUPAIVSA-N 2 0 337.508 1.506 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000876543863 597233999 /nfs/dbraw/zinc/23/39/99/597233999.db2.gz OCNBPYYAPPSGNF-GWCFXTLKSA-N 2 0 338.477 1.107 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CCO1 ZINC000876542953 597234093 /nfs/dbraw/zinc/23/40/93/597234093.db2.gz APOZOOOMACZKPZ-XDTLVQLUSA-N 2 0 331.338 1.280 20 0 EDADRP Cc1cccc(CN2CCO[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)c1 ZINC000873267025 597243241 /nfs/dbraw/zinc/24/32/41/597243241.db2.gz VOBZZSBJDMDMKM-MTFMMBMASA-N 2 0 347.503 1.538 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccnc1 ZINC000875013166 597243469 /nfs/dbraw/zinc/24/34/69/597243469.db2.gz WRHMCRSXUHRWJW-USXIJHARSA-N 2 0 333.480 1.523 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccc(-n2cnnn2)cc1 ZINC000873290292 597248714 /nfs/dbraw/zinc/24/87/14/597248714.db2.gz CGPYDELYGGUAMP-PBHICJAKSA-N 2 0 342.447 1.472 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875163262 597309381 /nfs/dbraw/zinc/30/93/81/597309381.db2.gz WWHRPGHKNZXDNF-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876752650 597322347 /nfs/dbraw/zinc/32/23/47/597322347.db2.gz VTOKOYPQIQBOGZ-ZWKOTPCHSA-N 2 0 345.487 1.633 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000876764227 597329635 /nfs/dbraw/zinc/32/96/35/597329635.db2.gz LYOKVHCGFSJXHY-IZYLRLOCSA-N 2 0 335.492 1.549 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)C(C)C ZINC000875209954 597333003 /nfs/dbraw/zinc/33/30/03/597333003.db2.gz FHAQMCICJXBWME-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775151 597335489 /nfs/dbraw/zinc/33/54/89/597335489.db2.gz PJXQGLNOAJZRBP-HPFMTEOYSA-N 2 0 349.519 1.941 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000876781426 597339019 /nfs/dbraw/zinc/33/90/19/597339019.db2.gz LIBKFYMTCHNTDM-IJEWVQPXSA-N 2 0 331.464 1.471 20 0 EDADRP CN1CCC(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876785020 597339710 /nfs/dbraw/zinc/33/97/10/597339710.db2.gz ODYJJFUETVOCLV-CVEARBPZSA-N 2 0 340.487 1.001 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000876795568 597342819 /nfs/dbraw/zinc/34/28/19/597342819.db2.gz QZKIOHFLTGQMJN-OAHLLOKOSA-N 2 0 343.431 1.706 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000876865729 597362370 /nfs/dbraw/zinc/36/23/70/597362370.db2.gz GINJKWZDNOLIIL-MNOVXSKESA-N 2 0 337.292 1.819 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCCOCC[NH+](C)C ZINC000876889783 597371480 /nfs/dbraw/zinc/37/14/80/597371480.db2.gz QJDKJBGOMJEFGE-UHFFFAOYSA-N 2 0 340.493 1.227 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000876957859 597396573 /nfs/dbraw/zinc/39/65/73/597396573.db2.gz JJNULUUCFVCRTD-CWDCEQMOSA-N 2 0 335.492 1.549 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CCOC1C[NH2+]C1 ZINC000877031135 597417242 /nfs/dbraw/zinc/41/72/42/597417242.db2.gz QWAIAXWHHKAJIU-SJLPKXTDSA-N 2 0 329.444 1.508 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000877200659 597459895 /nfs/dbraw/zinc/45/98/95/597459895.db2.gz OYEFMCUQNZQLEA-HNNXBMFYSA-N 2 0 333.480 1.727 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@](C)([NH3+])c3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877237772 597473947 /nfs/dbraw/zinc/47/39/47/597473947.db2.gz IYWPJXBKUMHEAY-NSHGMRRFSA-N 2 0 339.439 1.822 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877358842 597500528 /nfs/dbraw/zinc/50/05/28/597500528.db2.gz DOFZZPYPRJXFDG-UONOGXRCSA-N 2 0 329.366 1.957 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525069 597530729 /nfs/dbraw/zinc/53/07/29/597530729.db2.gz PMVQSHYFGCHOMR-GOSISDBHSA-N 2 0 344.507 1.816 20 0 EDADRP COCC[N@@H+](Cc1cnc([C@H](C)O)s1)CC1CC[NH+](C)CC1 ZINC000877664064 597546107 /nfs/dbraw/zinc/54/61/07/597546107.db2.gz GDDGFYBSLLDORQ-ZDUSSCGKSA-N 2 0 327.494 1.987 20 0 EDADRP COCCc1ncc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000877671218 597546563 /nfs/dbraw/zinc/54/65/63/597546563.db2.gz SKFADEUMOJZPAW-HUUCEWRRSA-N 2 0 340.537 1.503 20 0 EDADRP CC(C)[C@@H](O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118318 597579790 /nfs/dbraw/zinc/57/97/90/597579790.db2.gz LPXYUXUIBUNHDH-KRWDZBQOSA-N 2 0 341.540 1.809 20 0 EDADRP COC(=O)CC1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCCC1 ZINC000878270471 597591682 /nfs/dbraw/zinc/59/16/82/597591682.db2.gz YDSZPBYBMSMQMU-UHFFFAOYSA-N 2 0 325.453 1.052 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(C(N)=O)cc1 ZINC000878287745 597592838 /nfs/dbraw/zinc/59/28/38/597592838.db2.gz IKOSSLLBXNKLRT-SQNIBIBYSA-N 2 0 331.460 1.512 20 0 EDADRP c1cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C2CC2)c[nH+]1 ZINC000882987080 597608143 /nfs/dbraw/zinc/60/81/43/597608143.db2.gz RVOBLXDKCCPFIZ-QGZVFWFLSA-N 2 0 330.476 1.589 20 0 EDADRP Cn1nc2c(c1C[NH2+]CCN1CCC([NH+](C)C)CC1)CSCC2 ZINC000883027637 597623731 /nfs/dbraw/zinc/62/37/31/597623731.db2.gz IGYOZIFWOWNWNR-UHFFFAOYSA-N 2 0 337.537 1.325 20 0 EDADRP O[C@@H](C[NH+]1CC[C@@H]2CSC[C@@H]2C1)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879562763 597633455 /nfs/dbraw/zinc/63/34/55/597633455.db2.gz LNOQPVVDTQNJOS-JGAFCMAOSA-N 2 0 342.574 1.717 20 0 EDADRP CC(C)C[N@H+](C[C@@H](O)CC1(O)CCOCC1)CC1CC[NH+](C)CC1 ZINC000879705659 597696008 /nfs/dbraw/zinc/69/60/08/597696008.db2.gz QLUZSIVVGLPBKJ-SFHVURJKSA-N 2 0 342.524 1.579 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883416497 597739283 /nfs/dbraw/zinc/73/92/83/597739283.db2.gz WHPTWKXKTHYULA-LSDHHAIUSA-N 2 0 329.448 1.538 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883423323 597742028 /nfs/dbraw/zinc/74/20/28/597742028.db2.gz IQVGPQHINSERBQ-DOTOQJQBSA-N 2 0 331.464 1.786 20 0 EDADRP O=C(CCN1CC[NH2+]CCC12CCC2)NC(=O)NCc1ccccc1 ZINC000883457703 597755933 /nfs/dbraw/zinc/75/59/33/597755933.db2.gz KWRXUFIUERYNOV-UHFFFAOYSA-N 2 0 344.459 1.621 20 0 EDADRP [NH3+][C@@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883586798 597815149 /nfs/dbraw/zinc/81/51/49/597815149.db2.gz SQQCKFYVCHZYNG-MSOLQXFVSA-N 2 0 343.475 1.830 20 0 EDADRP COCC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)CC1CC[NH+](C)CC1 ZINC000879127308 597827819 /nfs/dbraw/zinc/82/78/19/597827819.db2.gz VGAPSZXVNWPJGY-HDICACEKSA-N 2 0 325.497 1.140 20 0 EDADRP Cn1ncc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C1CC1 ZINC000879233356 597859655 /nfs/dbraw/zinc/85/96/55/597859655.db2.gz WVUUUHYARIBIME-HUUCEWRRSA-N 2 0 348.495 1.501 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)NC(=O)NCc1ccco1)CC2 ZINC000879246559 597863275 /nfs/dbraw/zinc/86/32/75/597863275.db2.gz FUHGFLBUWOLNBS-UHFFFAOYSA-N 2 0 348.447 1.413 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)COC[C@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880260500 597886529 /nfs/dbraw/zinc/88/65/29/597886529.db2.gz DBOHNVSKJOPFGZ-BPQIPLTHSA-N 2 0 335.448 1.149 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000883901176 597937482 /nfs/dbraw/zinc/93/74/82/597937482.db2.gz YYHBGEVYPKDERH-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378731 597951071 /nfs/dbraw/zinc/95/10/71/597951071.db2.gz HMEHJLXYMVPXAZ-SFHVURJKSA-N 2 0 345.487 1.614 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884027642 597972122 /nfs/dbraw/zinc/97/21/22/597972122.db2.gz JDVMFRCYBFEOIK-GWCFXTLKSA-N 2 0 326.238 1.517 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884036708 597973957 /nfs/dbraw/zinc/97/39/57/597973957.db2.gz DHYWAEPVRQFVMI-UHFFFAOYSA-N 2 0 345.491 1.533 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000884186044 598018386 /nfs/dbraw/zinc/01/83/86/598018386.db2.gz OPIJNPSBKVPGEF-YJBOKZPZSA-N 2 0 333.476 1.899 20 0 EDADRP Cn1nccc1-c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000882679417 598020638 /nfs/dbraw/zinc/02/06/38/598020638.db2.gz XUXCGLTUVFWYBF-HUUCEWRRSA-N 2 0 343.479 1.053 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000884268374 598048809 /nfs/dbraw/zinc/04/88/09/598048809.db2.gz DSCZPLYFAGMFDH-OKZBNKHCSA-N 2 0 333.476 1.549 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000884300175 598058957 /nfs/dbraw/zinc/05/89/57/598058957.db2.gz QYHCUQKMBLQONJ-MSOLQXFVSA-N 2 0 347.459 1.253 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CC2(C)C)CC1 ZINC000884325493 598067873 /nfs/dbraw/zinc/06/78/73/598067873.db2.gz RUZPDSDUNNXUNM-YOEHRIQHSA-N 2 0 330.476 1.969 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@H]1CC[NH3+] ZINC000884385858 598088450 /nfs/dbraw/zinc/08/84/50/598088450.db2.gz XHZBQZMWOJMZGM-ZBFHGGJFSA-N 2 0 331.464 1.081 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884470367 598114610 /nfs/dbraw/zinc/11/46/10/598114610.db2.gz MCJQWJKMEXZVOH-DUFGSWQCSA-N 2 0 327.428 1.949 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914150607 695159600 /nfs/dbraw/zinc/15/96/00/695159600.db2.gz PLJKIWFUJHBDNX-WCVJEAGWSA-N 2 0 338.521 1.492 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995015833 699978060 /nfs/dbraw/zinc/97/80/60/699978060.db2.gz RUVYSUJZKLDKRA-HOTGVXAUSA-N 2 0 346.475 1.986 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992784726 695324963 /nfs/dbraw/zinc/32/49/63/695324963.db2.gz GHNAWAZKLADSOE-BPUTZDHNSA-N 2 0 335.448 1.164 20 0 EDADRP CCO[C@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914334756 695359813 /nfs/dbraw/zinc/35/98/13/695359813.db2.gz DRKTVUGMPOBXDB-HZPDHXFCSA-N 2 0 342.528 1.763 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)CC1 ZINC000914398213 695386103 /nfs/dbraw/zinc/38/61/03/695386103.db2.gz ZQAWOKFVHYCXTK-QGZVFWFLSA-N 2 0 340.512 1.469 20 0 EDADRP CO[C@@H](CN1CC(NC(=O)CC2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001031052615 695392195 /nfs/dbraw/zinc/39/21/95/695392195.db2.gz MCCGHQXCJIGYLQ-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)cc1 ZINC000992855467 695415957 /nfs/dbraw/zinc/41/59/57/695415957.db2.gz JOMGYXBPJQIFEL-FHWLQOOXSA-N 2 0 345.487 1.571 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCCN1Cc1ccnn1C ZINC000993686582 696309191 /nfs/dbraw/zinc/30/91/91/696309191.db2.gz WMEYRTHEAGUMLQ-NVXWUHKLSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1nccnc1CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H]1C ZINC000993758971 696352026 /nfs/dbraw/zinc/35/20/26/696352026.db2.gz JULDVEHCCZEXMD-NVXWUHKLSA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000940007970 700109267 /nfs/dbraw/zinc/10/92/67/700109267.db2.gz BUARQZSJVSPLOB-CQSZACIVSA-N 2 0 348.495 1.493 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000917141270 696953296 /nfs/dbraw/zinc/95/32/96/696953296.db2.gz AAOKOXDVZNSFQE-WBVHZDCISA-N 2 0 343.537 1.512 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)NC[C@H]3CC[N@H+]3C)CC2)oc1C ZINC000918061176 697127608 /nfs/dbraw/zinc/12/76/08/697127608.db2.gz NHERHNPNIPNTHS-MRXNPFEDSA-N 2 0 349.479 1.507 20 0 EDADRP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669448 697464473 /nfs/dbraw/zinc/46/44/73/697464473.db2.gz KHPWVKAZTCWFQW-CVEARBPZSA-N 2 0 341.446 1.954 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](Cc3ccc4c(c3)COC4)C2)CC[N@@H+]1C ZINC001031681070 697501602 /nfs/dbraw/zinc/50/16/02/697501602.db2.gz CQVBUQXYOKBZGJ-AUUYWEPGSA-N 2 0 343.471 1.605 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334170 698150997 /nfs/dbraw/zinc/15/09/97/698150997.db2.gz LZXDWJNQDSLCFZ-CRAIPNDOSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[NH2+]C1 ZINC000237622895 698229086 /nfs/dbraw/zinc/22/90/86/698229086.db2.gz XLSMPQCUOBDWKE-YJBOKZPZSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC[NH2+]C1 ZINC000237631286 698251745 /nfs/dbraw/zinc/25/17/45/698251745.db2.gz IKNIHVBAKUKVTM-LJQANCHMSA-N 2 0 331.460 1.829 20 0 EDADRP CCOC(=O)[C@]1(C)CC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000184869453 698534126 /nfs/dbraw/zinc/53/41/26/698534126.db2.gz SHKMUGGDNKZINV-QGZVFWFLSA-N 2 0 325.453 1.019 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000237959250 698557892 /nfs/dbraw/zinc/55/78/92/698557892.db2.gz BAUINPNKWKKOGU-INIZCTEOSA-N 2 0 331.416 1.676 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1)OC ZINC001032094325 698590528 /nfs/dbraw/zinc/59/05/28/698590528.db2.gz HGKBCOSIGDZHDF-KRWDZBQOSA-N 2 0 325.497 1.580 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000947881852 699013772 /nfs/dbraw/zinc/01/37/72/699013772.db2.gz KBRGPADWPIUEDA-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939063200 699106271 /nfs/dbraw/zinc/10/62/71/699106271.db2.gz BSSFEXHUDCKROQ-UGSOOPFHSA-N 2 0 346.475 1.830 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939063224 699107029 /nfs/dbraw/zinc/10/70/29/699107029.db2.gz BYHVEQPNKJSLOT-RDTXWAMCSA-N 2 0 347.507 1.278 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063593 699130334 /nfs/dbraw/zinc/13/03/34/699130334.db2.gz ITPFPOLOTZINFK-CXAGYDPISA-N 2 0 348.491 1.824 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939128755 699207452 /nfs/dbraw/zinc/20/74/52/699207452.db2.gz PBKBQNNSKYCDSQ-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)on1 ZINC000939128704 699207508 /nfs/dbraw/zinc/20/75/08/699207508.db2.gz OEWXCZGWWCTEPU-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939137101 699224014 /nfs/dbraw/zinc/22/40/14/699224014.db2.gz FGYIMZWDASHAAE-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939247060 699417129 /nfs/dbraw/zinc/41/71/29/699417129.db2.gz NOMZURRHTWWFQB-QAPCUYQASA-N 2 0 347.507 1.131 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939257157 699434515 /nfs/dbraw/zinc/43/45/15/699434515.db2.gz KJDASDVEEIAZGI-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939398635 699547764 /nfs/dbraw/zinc/54/77/64/699547764.db2.gz PMFMPOCJMSAVGC-ZBFHGGJFSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939543402 699684473 /nfs/dbraw/zinc/68/44/73/699684473.db2.gz COUIGNFDRJSWLY-SUMWQHHRSA-N 2 0 349.425 1.997 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cccc(F)c1 ZINC000939543534 699684672 /nfs/dbraw/zinc/68/46/72/699684672.db2.gz DTFNXRWWDWLFGQ-YOEHRIQHSA-N 2 0 331.435 1.858 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)on1 ZINC000939550019 699698658 /nfs/dbraw/zinc/69/86/58/699698658.db2.gz GBSZDNCCWSWCRA-MLGOLLRUSA-N 2 0 343.431 1.694 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939753341 699902708 /nfs/dbraw/zinc/90/27/08/699902708.db2.gz FGCLQOJCOZQOBG-XJKSGUPXSA-N 2 0 337.414 1.997 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850208 699939971 /nfs/dbraw/zinc/93/99/71/699939971.db2.gz TVQOCAOZSCLECJ-KRWDZBQOSA-N 2 0 328.416 1.565 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)C1CC1 ZINC000940150551 700278476 /nfs/dbraw/zinc/27/84/76/700278476.db2.gz XMSCSQAGAMPVDW-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000940154298 700284631 /nfs/dbraw/zinc/28/46/31/700284631.db2.gz UXAWYFNNRMZPLS-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000940159351 700291819 /nfs/dbraw/zinc/29/18/19/700291819.db2.gz HEIQHJVFTXCJHO-HNNXBMFYSA-N 2 0 349.479 1.723 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327623 700504659 /nfs/dbraw/zinc/50/46/59/700504659.db2.gz LHCVLMKGQWQWNU-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000940327931 700505094 /nfs/dbraw/zinc/50/50/94/700505094.db2.gz AARHGECQBLOBFQ-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)co1 ZINC000940327941 700505285 /nfs/dbraw/zinc/50/52/85/700505285.db2.gz AFXIZCCNASFPGG-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000940329499 700508942 /nfs/dbraw/zinc/50/89/42/700508942.db2.gz UTYMLQLFZVOXJJ-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000940329699 700509729 /nfs/dbraw/zinc/50/97/29/700509729.db2.gz XNBDAALRBXMVCQ-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995068015 700532188 /nfs/dbraw/zinc/53/21/88/700532188.db2.gz BHMVTYHVCOVHHZ-RHSMWYFYSA-N 2 0 334.464 1.699 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3cnnn3C)CC2)CC1 ZINC000940393169 700570021 /nfs/dbraw/zinc/57/00/21/700570021.db2.gz WITATXJFLHBNEF-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000940426179 700619594 /nfs/dbraw/zinc/61/95/94/700619594.db2.gz IHHUUQYFMUPLQR-MRXNPFEDSA-N 2 0 345.491 1.598 20 0 EDADRP CC1([NH2+]Cc2cscn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427538 700621537 /nfs/dbraw/zinc/62/15/37/700621537.db2.gz INFNWVAZPWPWBW-UHFFFAOYSA-N 2 0 334.489 1.710 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472672 700658140 /nfs/dbraw/zinc/65/81/40/700658140.db2.gz OYGHKPUZFNUSSK-MRXNPFEDSA-N 2 0 348.495 1.160 20 0 EDADRP Cn1nccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995080991 700708737 /nfs/dbraw/zinc/70/87/37/700708737.db2.gz SXYOMYNTGIMHLP-GOEBONIOSA-N 2 0 333.480 1.136 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nccs3)C2)CC1 ZINC000995082791 700727027 /nfs/dbraw/zinc/72/70/27/700727027.db2.gz ZSLNBSXFTLASLN-HIFRSBDPSA-N 2 0 336.505 1.859 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736782 700877965 /nfs/dbraw/zinc/87/79/65/700877965.db2.gz JQTYJPKXGLIXNA-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995099860 700886242 /nfs/dbraw/zinc/88/62/42/700886242.db2.gz ARDREPQIESWRRV-HZPDHXFCSA-N 2 0 347.507 1.527 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170182 701676569 /nfs/dbraw/zinc/67/65/69/701676569.db2.gz WJZDWPAZRDUCQO-CHWSQXEVSA-N 2 0 335.477 1.008 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000995100965 700890395 /nfs/dbraw/zinc/89/03/95/700890395.db2.gz DUBOHDSZMXNJKQ-HOTGVXAUSA-N 2 0 347.507 1.527 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)CC[N@@H+]1C ZINC000940756684 700892032 /nfs/dbraw/zinc/89/20/32/700892032.db2.gz FZDZIOYCDCPNQV-ZACQAIPSSA-N 2 0 347.507 1.440 20 0 EDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995110854 700988245 /nfs/dbraw/zinc/98/82/45/700988245.db2.gz ZJFLQKZXNDSBEU-JKSUJKDBSA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166010 701376999 /nfs/dbraw/zinc/37/69/99/701376999.db2.gz DCPGTUXQIBZJLN-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1)OC ZINC000941167069 701378002 /nfs/dbraw/zinc/37/80/02/701378002.db2.gz QANBRQRQQNOSGC-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncc(CN2CC(CNC(=O)c3occc3C[NH+](C)C)C2)o1 ZINC001031932202 701384053 /nfs/dbraw/zinc/38/40/53/701384053.db2.gz XNTRIBMJQFGDTO-UHFFFAOYSA-N 2 0 332.404 1.499 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215116 701401345 /nfs/dbraw/zinc/40/13/45/701401345.db2.gz LRAAUGAYSXMICH-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3cncs3)CC2(C)C)C1 ZINC000941215797 701402358 /nfs/dbraw/zinc/40/23/58/701402358.db2.gz BATUCLMEKHSOCY-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217458 701403776 /nfs/dbraw/zinc/40/37/76/701403776.db2.gz PMRFAKKIRLCYBR-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000995133423 701405122 /nfs/dbraw/zinc/40/51/22/701405122.db2.gz LXSRKDZMTQANCY-HZPDHXFCSA-N 2 0 349.479 1.484 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999171740 706601886 /nfs/dbraw/zinc/60/18/86/706601886.db2.gz YBVCTTQPBIGPIU-CVEARBPZSA-N 2 0 348.516 1.874 20 0 EDADRP C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518407 706602394 /nfs/dbraw/zinc/60/23/94/706602394.db2.gz UBLXQTCWHMZMFT-MWDXBVQZSA-N 2 0 325.472 1.999 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)C1 ZINC000941456933 701543253 /nfs/dbraw/zinc/54/32/53/701543253.db2.gz WGQDSYWPDIQLBM-UHFFFAOYSA-N 2 0 341.459 1.661 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001032133672 701889427 /nfs/dbraw/zinc/88/94/27/701889427.db2.gz JIHKCPGNMYMGBF-UHFFFAOYSA-N 2 0 332.448 1.378 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001031977671 702030253 /nfs/dbraw/zinc/03/02/53/702030253.db2.gz FXQCBGYIEWTTOL-KDOFPFPSSA-N 2 0 333.451 1.902 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995830069 702104589 /nfs/dbraw/zinc/10/45/89/702104589.db2.gz FEGHAOMGSINLRM-OIISXLGYSA-N 2 0 347.507 1.129 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3nnc(C)o3)C(C)(C)C2)CC[N@@H+]1C ZINC000995841134 702121745 /nfs/dbraw/zinc/12/17/45/702121745.db2.gz PLNIQLLPVAKLGB-ZNMIVQPWSA-N 2 0 349.479 1.435 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001032206062 702127418 /nfs/dbraw/zinc/12/74/18/702127418.db2.gz QREAJFPBXZXQDM-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3ccccc3C[NH+](C)C)C2)O1 ZINC001032206523 702150581 /nfs/dbraw/zinc/15/05/81/702150581.db2.gz CNHUWQWQMYQMOT-MAUKXSAKSA-N 2 0 345.487 1.977 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995892742 702192768 /nfs/dbraw/zinc/19/27/68/702192768.db2.gz GEZSYGFQBJPVHT-CVEARBPZSA-N 2 0 334.464 1.650 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000995945199 702291007 /nfs/dbraw/zinc/29/10/07/702291007.db2.gz DVKGALYZFZDRMH-CVEARBPZSA-N 2 0 335.496 1.129 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H](NCc2csnn2)C(C)(C)C1 ZINC000995982841 702341829 /nfs/dbraw/zinc/34/18/29/702341829.db2.gz PYDZNBSUNBEOET-KBPBESRZSA-N 2 0 337.493 1.349 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnnn3CC)C2)CC[N@@H+]1C ZINC000999208472 706661659 /nfs/dbraw/zinc/66/16/59/706661659.db2.gz NIRYILKTVVPYLK-HYVNUMGLSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1cnc(CN2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nc1 ZINC000944167545 702405673 /nfs/dbraw/zinc/40/56/73/702405673.db2.gz DVODJSLDLAIKLI-HZPDHXFCSA-N 2 0 343.475 1.207 20 0 EDADRP CC1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000996046116 702440880 /nfs/dbraw/zinc/44/08/80/702440880.db2.gz ZQZLUJLOLUKFRR-WMLDXEAASA-N 2 0 342.443 1.811 20 0 EDADRP C[C@H]1C[N@H+](Cc2cccnc2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944153627 702442148 /nfs/dbraw/zinc/44/21/48/702442148.db2.gz IKBIMOPDWLFMKB-RDJZCZTQSA-N 2 0 328.460 1.504 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999230897 706679028 /nfs/dbraw/zinc/67/90/28/706679028.db2.gz GADQWYDPUFCSOK-OPQOLIRYSA-N 2 0 331.460 1.393 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996220289 702632166 /nfs/dbraw/zinc/63/21/66/702632166.db2.gz FEVJPZSZDFLEGT-QGZVFWFLSA-N 2 0 348.491 1.960 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000996245020 702649044 /nfs/dbraw/zinc/64/90/44/702649044.db2.gz HPVIHFWCRBMANZ-IAGOWNOFSA-N 2 0 349.523 1.816 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)ncn1 ZINC000996251232 702653040 /nfs/dbraw/zinc/65/30/40/702653040.db2.gz ZYPLUXQMUWREAA-IAGOWNOFSA-N 2 0 347.507 1.698 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)ncn1 ZINC000996300929 702692510 /nfs/dbraw/zinc/69/25/10/702692510.db2.gz PFXAVQGYIMRBQU-NVXWUHKLSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996300668 702692664 /nfs/dbraw/zinc/69/26/64/702692664.db2.gz OFWKHJQSBSSSGT-JSGCOSHPSA-N 2 0 337.493 1.349 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(OC)n2)C(C)(C)C1)[NH+](C)C ZINC000996315636 702703728 /nfs/dbraw/zinc/70/37/28/702703728.db2.gz QPPGESFYFZRLPA-GJZGRUSLSA-N 2 0 349.479 1.152 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996465129 702792361 /nfs/dbraw/zinc/79/23/61/702792361.db2.gz QMUHSGJQFIGOAP-ZBFHGGJFSA-N 2 0 348.495 1.330 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)on1 ZINC000996517705 702853048 /nfs/dbraw/zinc/85/30/48/702853048.db2.gz GNCPTTUXGCYOEC-HOCLYGCPSA-N 2 0 334.464 1.651 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)on1 ZINC000996518155 702853350 /nfs/dbraw/zinc/85/33/50/702853350.db2.gz COVHSAQOKMKBLL-AWEZNQCLSA-N 2 0 348.447 1.106 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520113 702856031 /nfs/dbraw/zinc/85/60/31/702856031.db2.gz MVMFKTRZXTVFDS-INIZCTEOSA-N 2 0 346.475 1.659 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520115 702856103 /nfs/dbraw/zinc/85/61/03/702856103.db2.gz MVMFKTRZXTVFDS-MRXNPFEDSA-N 2 0 346.475 1.659 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559186 702873320 /nfs/dbraw/zinc/87/33/20/702873320.db2.gz CDYCTBWFHKZNLJ-IBGZPJMESA-N 2 0 342.487 1.812 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560995 702874952 /nfs/dbraw/zinc/87/49/52/702874952.db2.gz MQPLDBCICWHXBS-MRXNPFEDSA-N 2 0 332.448 1.405 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996560605 702879229 /nfs/dbraw/zinc/87/92/29/702879229.db2.gz KTPSTKSMZCYMDB-QGZVFWFLSA-N 2 0 346.475 1.659 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccc(C)n3)CC2)CC[N@@H+]1C ZINC000996602713 702909419 /nfs/dbraw/zinc/90/94/19/702909419.db2.gz FSQOJSNRBXBDTA-DLBZAZTESA-N 2 0 345.491 1.596 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996606359 702909774 /nfs/dbraw/zinc/90/97/74/702909774.db2.gz GKMJSVILJQAZFN-RHSMWYFYSA-N 2 0 333.480 1.324 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000996613685 702918607 /nfs/dbraw/zinc/91/86/07/702918607.db2.gz WWFUZWLQEOWBTA-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000996609614 702920676 /nfs/dbraw/zinc/92/06/76/702920676.db2.gz VWIKYUGZFXHVLL-YWPYICTPSA-N 2 0 334.468 1.095 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)ccn1 ZINC000996617355 702924412 /nfs/dbraw/zinc/92/44/12/702924412.db2.gz UVAYZTJOSVKMBA-JKSUJKDBSA-N 2 0 346.475 1.369 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]CC2=CCCCC2)CC1 ZINC000996625095 702928974 /nfs/dbraw/zinc/92/89/74/702928974.db2.gz ZCQKSVJHFKPHDH-OALUTQOASA-N 2 0 347.503 1.931 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)CC2)[nH]1 ZINC000996657750 702954197 /nfs/dbraw/zinc/95/41/97/702954197.db2.gz HQJURXAQGPQUNS-OAHLLOKOSA-N 2 0 348.495 1.172 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996679045 702977815 /nfs/dbraw/zinc/97/78/15/702977815.db2.gz POZKRBSASKINLS-SFHVURJKSA-N 2 0 347.507 1.366 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996721026 703016457 /nfs/dbraw/zinc/01/64/57/703016457.db2.gz WJQOQSREHWESQF-SJORKVTESA-N 2 0 332.448 1.772 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1ncccn1 ZINC000996725120 703019612 /nfs/dbraw/zinc/01/96/12/703019612.db2.gz SAUHMMMFGICAAN-ZBFHGGJFSA-N 2 0 331.464 1.603 20 0 EDADRP Cn1nccc1CC[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000996726079 703021282 /nfs/dbraw/zinc/02/12/82/703021282.db2.gz WDNAZWQDIMLINN-QGZVFWFLSA-N 2 0 333.480 1.028 20 0 EDADRP Cc1c(C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)ccc2c[nH+]cn21 ZINC000996746643 703040647 /nfs/dbraw/zinc/04/06/47/703040647.db2.gz JSHPMFNHDNFPTF-HNNXBMFYSA-N 2 0 342.443 1.873 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996761568 703049704 /nfs/dbraw/zinc/04/97/04/703049704.db2.gz HYENMBPTNTWHPH-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000996766626 703058088 /nfs/dbraw/zinc/05/80/88/703058088.db2.gz HLFIZEDYKQZLCY-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942598394 703113454 /nfs/dbraw/zinc/11/34/54/703113454.db2.gz WYBYWZUVICXZTA-FZKQIMNGSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)c1cnccn1 ZINC000996868011 703140583 /nfs/dbraw/zinc/14/05/83/703140583.db2.gz NLKTZDFLEVCELL-OAHLLOKOSA-N 2 0 345.491 1.993 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996868894 703141493 /nfs/dbraw/zinc/14/14/93/703141493.db2.gz ZBDYFSVPFANOOM-UHFFFAOYSA-N 2 0 335.452 1.333 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996858105 703141764 /nfs/dbraw/zinc/14/17/64/703141764.db2.gz NSOMRCYAKDGOPE-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@H](C)C1 ZINC000942719462 703233919 /nfs/dbraw/zinc/23/39/19/703233919.db2.gz FWTVUGHHEBFFMZ-VQIMIIECSA-N 2 0 347.503 1.877 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000996998474 703255654 /nfs/dbraw/zinc/25/56/54/703255654.db2.gz KARKPYROXCZTSU-OLZOCXBDSA-N 2 0 335.452 1.504 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cs1 ZINC000997000459 703257169 /nfs/dbraw/zinc/25/71/69/703257169.db2.gz QDAIDSZSUFFJHX-BLLLJJGKSA-N 2 0 336.505 1.730 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997004013 703260855 /nfs/dbraw/zinc/26/08/55/703260855.db2.gz BGZJEBTUDOMOTF-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997004491 703261562 /nfs/dbraw/zinc/26/15/62/703261562.db2.gz DIZBZAFHDIVNMB-HOCLYGCPSA-N 2 0 345.491 1.768 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997006281 703263413 /nfs/dbraw/zinc/26/34/13/703263413.db2.gz FPJMMUICRKLTAL-SJKOYZFVSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1csnn1 ZINC000997006217 703263448 /nfs/dbraw/zinc/26/34/48/703263448.db2.gz KINGJDSWQZJCNG-CHWSQXEVSA-N 2 0 337.493 1.522 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997008015 703265495 /nfs/dbraw/zinc/26/54/95/703265495.db2.gz TZZUEQJPTZXXEC-CYBMUJFWSA-N 2 0 336.505 1.874 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008398 703266076 /nfs/dbraw/zinc/26/60/76/703266076.db2.gz LVZLHCQYBJULAH-WMLDXEAASA-N 2 0 348.495 1.137 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000997008472 703266326 /nfs/dbraw/zinc/26/63/26/703266326.db2.gz MMUDZBOUOAKFPX-DNVCBOLYSA-N 2 0 345.487 1.974 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997009344 703270144 /nfs/dbraw/zinc/27/01/44/703270144.db2.gz ZTCJGTAHLYSDGR-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000997012560 703272129 /nfs/dbraw/zinc/27/21/29/703272129.db2.gz XUOUVWJRDCYBEE-DYVFJYSZSA-N 2 0 331.464 1.063 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997099444 703344501 /nfs/dbraw/zinc/34/45/01/703344501.db2.gz FQKBJTSYVUWEAJ-IIDMSEBBSA-N 2 0 347.507 1.477 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccc(N3CC[NH+](C)CC3)nc1)CCC2 ZINC000921519514 703354290 /nfs/dbraw/zinc/35/42/90/703354290.db2.gz AXJMFOGDVLIXBQ-UHFFFAOYSA-N 2 0 340.475 1.345 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC1 ZINC000997116321 703370147 /nfs/dbraw/zinc/37/01/47/703370147.db2.gz WEUMEOZFLGLNLM-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000997116298 703371069 /nfs/dbraw/zinc/37/10/69/703371069.db2.gz VQCJOEVBONDHPS-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000997141028 703402462 /nfs/dbraw/zinc/40/24/62/703402462.db2.gz WARYQICJFILFEO-UHFFFAOYSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181981 703466971 /nfs/dbraw/zinc/46/69/71/703466971.db2.gz FJNQQZIEUTZNGF-JSGCOSHPSA-N 2 0 334.468 1.097 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997192087 703489663 /nfs/dbraw/zinc/48/96/63/703489663.db2.gz JRNWKFYQMOXGTH-UHFFFAOYSA-N 2 0 328.460 1.566 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000997205557 703505737 /nfs/dbraw/zinc/50/57/37/703505737.db2.gz LZDAOXKDQSBVJE-ZIAGYGMSSA-N 2 0 330.432 1.545 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC000997301710 703544776 /nfs/dbraw/zinc/54/47/76/703544776.db2.gz HGYSQIYJMAJTIE-ZDUSSCGKSA-N 2 0 334.468 1.105 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997279946 703545682 /nfs/dbraw/zinc/54/56/82/703545682.db2.gz SCIKIDIOJMPTNB-CUSZFKRNSA-N 2 0 339.524 1.968 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000997314438 703569021 /nfs/dbraw/zinc/56/90/21/703569021.db2.gz YGWRKQZVBMUBQP-QGZVFWFLSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997361606 703595606 /nfs/dbraw/zinc/59/56/06/703595606.db2.gz WRTZAWBEWBIOMF-GASCZTMLSA-N 2 0 333.480 1.374 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nn1 ZINC000997361585 703595657 /nfs/dbraw/zinc/59/56/57/703595657.db2.gz WHQWYKQIHUGYOA-GJZGRUSLSA-N 2 0 348.495 1.251 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361119 703598433 /nfs/dbraw/zinc/59/84/33/703598433.db2.gz SSAJZRVWRVAHGQ-GASCZTMLSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000997366901 703600974 /nfs/dbraw/zinc/60/09/74/703600974.db2.gz PGNXIGBZDCBZGX-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997367055 703601321 /nfs/dbraw/zinc/60/13/21/703601321.db2.gz IJJMYHQLXLMFGD-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997514600 703764551 /nfs/dbraw/zinc/76/45/51/703764551.db2.gz HBGWLPKYGQMHBJ-YOEHRIQHSA-N 2 0 333.480 1.231 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997611486 703911186 /nfs/dbraw/zinc/91/11/86/703911186.db2.gz FWDXAWFDLZJGAX-KRWDZBQOSA-N 2 0 333.480 1.325 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001004201832 703931046 /nfs/dbraw/zinc/93/10/46/703931046.db2.gz AHPUKBHFJWTFHL-HZPDHXFCSA-N 2 0 347.507 1.416 20 0 EDADRP CN1CC[C@H]1C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922575575 704039670 /nfs/dbraw/zinc/03/96/70/704039670.db2.gz ZYISPDUDSYNIQD-ZDUSSCGKSA-N 2 0 327.375 1.863 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082208 704138514 /nfs/dbraw/zinc/13/85/14/704138514.db2.gz PBJWNBGKPTXKJM-JKSUJKDBSA-N 2 0 348.516 1.826 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033083567 704142012 /nfs/dbraw/zinc/14/20/12/704142012.db2.gz YEMOFUATVMWOLG-RBUKOAKNSA-N 2 0 349.519 1.678 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC000999295104 706792776 /nfs/dbraw/zinc/79/27/76/706792776.db2.gz YAWYAYMHDQNIJH-FEPKRQSRSA-N 2 0 337.493 1.347 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000999301862 706805231 /nfs/dbraw/zinc/80/52/31/706805231.db2.gz DFHDUPUQTIYIKM-IAGOWNOFSA-N 2 0 334.464 1.938 20 0 EDADRP COC(=O)c1cnc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000922832641 704398970 /nfs/dbraw/zinc/39/89/70/704398970.db2.gz XUGQZEIMAJNMFL-UHFFFAOYSA-N 2 0 343.412 1.843 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC(C[NH2+]CC3CC3)CC2)n1 ZINC000997781547 704685491 /nfs/dbraw/zinc/68/54/91/704685491.db2.gz LEOULCCSAQSYFL-UHFFFAOYSA-N 2 0 333.480 1.297 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000997783753 704694076 /nfs/dbraw/zinc/69/40/76/704694076.db2.gz JBKDBPXOLKYXEI-SFHVURJKSA-N 2 0 346.475 1.653 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997783890 704694189 /nfs/dbraw/zinc/69/41/89/704694189.db2.gz MCOGRUMREQVESK-PKOBYXMFSA-N 2 0 349.519 1.583 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000997831455 704749382 /nfs/dbraw/zinc/74/93/82/704749382.db2.gz SHYVLOPBMXVSBJ-XLIONFOSSA-N 2 0 349.519 1.726 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997832118 704750416 /nfs/dbraw/zinc/75/04/16/704750416.db2.gz ZNJLGMIYHBRAPW-GOSISDBHSA-N 2 0 348.491 1.905 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997831110 704751357 /nfs/dbraw/zinc/75/13/57/704751357.db2.gz QNTIKCDCGZAWLH-GOSISDBHSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000997831124 704751385 /nfs/dbraw/zinc/75/13/85/704751385.db2.gz RBNGSSRUGOLRRF-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000997844390 704759695 /nfs/dbraw/zinc/75/96/95/704759695.db2.gz OJXAPHRUIHWYBH-HNNXBMFYSA-N 2 0 339.509 1.453 20 0 EDADRP CC(C)[NH2+]CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000997854208 704766108 /nfs/dbraw/zinc/76/61/08/704766108.db2.gz ADIYULLSWMATQJ-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1nncn1C ZINC000997865160 704772376 /nfs/dbraw/zinc/77/23/76/704772376.db2.gz LSPXVTMLLXVJIQ-GOEBONIOSA-N 2 0 348.495 1.189 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997889398 704791262 /nfs/dbraw/zinc/79/12/62/704791262.db2.gz UBINPQRZFLZAPA-INIZCTEOSA-N 2 0 342.443 1.813 20 0 EDADRP C[C@@H]1C[N@H+](CCc2ccns2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943351 704795799 /nfs/dbraw/zinc/79/57/99/704795799.db2.gz GXQSIFPIAOFQJQ-GDBMZVCRSA-N 2 0 336.505 1.608 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943690 704796297 /nfs/dbraw/zinc/79/62/97/704796297.db2.gz JLHSUJGRUFMNKE-WMLDXEAASA-N 2 0 333.480 1.151 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC000998004352 705165986 /nfs/dbraw/zinc/16/59/86/705165986.db2.gz JFTROHIYUSAUER-BBRMVZONSA-N 2 0 348.495 1.172 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000998032376 705217744 /nfs/dbraw/zinc/21/77/44/705217744.db2.gz SYGOLWMGFJCFDH-CYBMUJFWSA-N 2 0 349.479 1.609 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000998078265 705298868 /nfs/dbraw/zinc/29/88/68/705298868.db2.gz KQOYVRWKAIGVNZ-KDOFPFPSSA-N 2 0 345.491 1.311 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998081247 705302635 /nfs/dbraw/zinc/30/26/35/705302635.db2.gz HUYDPYKHGKJYSY-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998137896 705402949 /nfs/dbraw/zinc/40/29/49/705402949.db2.gz BUBNUIQQMMSLPG-GOEBONIOSA-N 2 0 334.464 1.453 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CC(C)(C)CO2)CC1 ZINC001032602985 705421370 /nfs/dbraw/zinc/42/13/70/705421370.db2.gz JPNQAOZVXNUMQO-YESZJQIVSA-N 2 0 335.492 1.428 20 0 EDADRP Cc1csc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998268076 705640089 /nfs/dbraw/zinc/64/00/89/705640089.db2.gz ASIMUOLOPLCJBG-HNNXBMFYSA-N 2 0 336.505 1.731 20 0 EDADRP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998269256 705643431 /nfs/dbraw/zinc/64/34/31/705643431.db2.gz KYIGIUOPGSYWFC-AWEZNQCLSA-N 2 0 349.479 1.617 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000998269970 705647285 /nfs/dbraw/zinc/64/72/85/705647285.db2.gz SSGDFELIZAJGKI-UHFFFAOYSA-N 2 0 331.464 1.209 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998288428 705684519 /nfs/dbraw/zinc/68/45/19/705684519.db2.gz VLTIUQJZSNBMBL-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP O=C(N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1)C12CC[NH+](CC1)C2 ZINC000998305741 705709529 /nfs/dbraw/zinc/70/95/29/705709529.db2.gz SHEPUFBINKNSDX-NWDGAFQWSA-N 2 0 337.361 1.421 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998554520 705989148 /nfs/dbraw/zinc/98/91/48/705989148.db2.gz YKEUWNITHNKDRH-LEOMRAHMSA-N 2 0 331.460 1.868 20 0 EDADRP Cc1nc(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998553298 705991119 /nfs/dbraw/zinc/99/11/19/705991119.db2.gz VXIKXDBKUFGHIC-GPANFISMSA-N 2 0 336.505 1.667 20 0 EDADRP COc1nscc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998730899 706163246 /nfs/dbraw/zinc/16/32/46/706163246.db2.gz LSTZKLJNHNJGSP-UONOGXRCSA-N 2 0 338.477 1.327 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998735044 706169043 /nfs/dbraw/zinc/16/90/43/706169043.db2.gz YKQNBFBTVJTVPO-ZWKOTPCHSA-N 2 0 347.507 1.947 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000998779391 706220677 /nfs/dbraw/zinc/22/06/77/706220677.db2.gz BNAGICWVABIVRU-ZBCRRDGASA-N 2 0 348.447 1.104 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnoc3C)C2)CC[N@@H+]1C ZINC000998792083 706238774 /nfs/dbraw/zinc/23/87/74/706238774.db2.gz SABNVNFMINWIMV-SJJHQCBESA-N 2 0 334.464 1.792 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000998797413 706244390 /nfs/dbraw/zinc/24/43/90/706244390.db2.gz SOJNBVUJDLOLFL-LHUBUQBQSA-N 2 0 346.475 1.509 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000998797399 706244467 /nfs/dbraw/zinc/24/44/67/706244467.db2.gz RVQIEVGOYGFXJT-AGERRDQYSA-N 2 0 330.476 1.809 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999050883 706471873 /nfs/dbraw/zinc/47/18/73/706471873.db2.gz NQJFKHQMNSSSOO-UHFFFAOYSA-N 2 0 345.491 1.610 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000999050920 706471926 /nfs/dbraw/zinc/47/19/26/706471926.db2.gz OUBHVHDKKHQGIN-UHFFFAOYSA-N 2 0 332.448 1.690 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000999052521 706473477 /nfs/dbraw/zinc/47/34/77/706473477.db2.gz YEAUXCVRMVYXFE-LRVUVFPRSA-N 2 0 346.479 1.382 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)cn1 ZINC000999350508 706863258 /nfs/dbraw/zinc/86/32/58/706863258.db2.gz XZWGZTKXTIOJPW-INIZCTEOSA-N 2 0 333.480 1.028 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000999373760 706868271 /nfs/dbraw/zinc/86/82/71/706868271.db2.gz HTHDVNFWJOQPTL-PQUAAJSLSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)o1 ZINC000999362441 706876120 /nfs/dbraw/zinc/87/61/20/706876120.db2.gz AWKMYOHXPMNEIK-WBVHZDCISA-N 2 0 334.464 1.712 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999401650 706909488 /nfs/dbraw/zinc/90/94/88/706909488.db2.gz PNMJNNBPVWLXHU-DLBZAZTESA-N 2 0 347.507 1.858 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1)[NH+](C)C ZINC000999431644 706939043 /nfs/dbraw/zinc/93/90/43/706939043.db2.gz CQPKXOBUEHTOID-SJORKVTESA-N 2 0 336.455 1.888 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999437659 706944748 /nfs/dbraw/zinc/94/47/48/706944748.db2.gz YQUNECCTBQPXNG-RDJZCZTQSA-N 2 0 335.496 1.570 20 0 EDADRP CN(C(=O)[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1)C1CC([NH2+]CCF)C1 ZINC000999445978 706966350 /nfs/dbraw/zinc/96/63/50/706966350.db2.gz SAAJYPULFYUHNG-HIEASXQVSA-N 2 0 333.451 1.880 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1)[NH+]1CCCCCC1 ZINC000999500605 706998310 /nfs/dbraw/zinc/99/83/10/706998310.db2.gz BLZYEELTOPKOAN-HJOIGYKYSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999505086 707002388 /nfs/dbraw/zinc/00/23/88/707002388.db2.gz HJJKTQFPPNKEIQ-ABHNRTSZSA-N 2 0 347.507 1.762 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)ns2)C1)[NH+](C)C ZINC000999489024 707024965 /nfs/dbraw/zinc/02/49/65/707024965.db2.gz IHKWDVQUFZMHBL-GXTWGEPZSA-N 2 0 340.493 1.573 20 0 EDADRP Cc1conc1CN[C@@H]1CCCN(C(=O)c2cc(CN(C)C)on2)C1 ZINC000999564169 707060451 /nfs/dbraw/zinc/06/04/51/707060451.db2.gz XHWWMJSDRWMJAK-CYBMUJFWSA-N 2 0 347.419 1.427 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]Cc2nccs2)C1)C12CCC[NH+]1CCC2 ZINC000999594513 707097806 /nfs/dbraw/zinc/09/78/06/707097806.db2.gz BAYYPXBZGPBMJI-AWEZNQCLSA-N 2 0 334.489 1.852 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3cccnc3)C2)CC1 ZINC000999596947 707099915 /nfs/dbraw/zinc/09/99/15/707099915.db2.gz BMXQJHLNQZSFPK-UHFFFAOYSA-N 2 0 330.476 1.893 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999681364 707165910 /nfs/dbraw/zinc/16/59/10/707165910.db2.gz FGKQFQDTMKXBAK-NVPAJSRCSA-N 2 0 334.439 1.642 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC000999696445 707221108 /nfs/dbraw/zinc/22/11/08/707221108.db2.gz BINADYJPAJNWMK-UHFFFAOYSA-N 2 0 334.489 1.626 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C[C@@H](O)C2CCCCC2)C1 ZINC000999707581 707299088 /nfs/dbraw/zinc/29/90/88/707299088.db2.gz IBCWNXRHVMFBMI-DAWZGUTISA-N 2 0 349.519 1.602 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999708386 707300462 /nfs/dbraw/zinc/30/04/62/707300462.db2.gz LIHNOYSTXQVRMK-UHFFFAOYSA-N 2 0 327.419 1.707 20 0 EDADRP Cc1cc(CN2CC[C@@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)sn1 ZINC001033194072 707430481 /nfs/dbraw/zinc/43/04/81/707430481.db2.gz BCXMMHHRVYFGJB-GDBMZVCRSA-N 2 0 336.505 1.969 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)ncn1 ZINC000999877861 707526633 /nfs/dbraw/zinc/52/66/33/707526633.db2.gz YDFSYZYLYWKPRY-MRXNPFEDSA-N 2 0 345.491 1.740 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964239 707629833 /nfs/dbraw/zinc/62/98/33/707629833.db2.gz WWXIGQLPDPMTHX-DLBZAZTESA-N 2 0 346.479 1.035 20 0 EDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004981912 707860216 /nfs/dbraw/zinc/86/02/16/707860216.db2.gz NVRVGISBINHVIN-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033229473 707883396 /nfs/dbraw/zinc/88/33/96/707883396.db2.gz SYXUUJFWJVEPBJ-MRXNPFEDSA-N 2 0 335.492 1.717 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033230367 707890547 /nfs/dbraw/zinc/89/05/47/707890547.db2.gz MVQOHHNIJIRTNH-INIZCTEOSA-N 2 0 338.415 1.377 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033230647 707892097 /nfs/dbraw/zinc/89/20/97/707892097.db2.gz RFHFPCMKZZENBB-ZBFHGGJFSA-N 2 0 328.416 1.517 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033470663 707932180 /nfs/dbraw/zinc/93/21/80/707932180.db2.gz CDIXUAJGFODUHC-IAGOWNOFSA-N 2 0 348.495 1.074 20 0 EDADRP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001001139105 708099717 /nfs/dbraw/zinc/09/97/17/708099717.db2.gz JQBUQUBKLUYQKH-HIFRSBDPSA-N 2 0 332.448 1.613 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005178853 708120988 /nfs/dbraw/zinc/12/09/88/708120988.db2.gz LQCKFKDYVUERII-HNNXBMFYSA-N 2 0 336.505 1.969 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582093 708264583 /nfs/dbraw/zinc/26/45/83/708264583.db2.gz NZLWFBSTKGLEBS-SJLPKXTDSA-N 2 0 347.507 1.320 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591459 708289203 /nfs/dbraw/zinc/28/92/03/708289203.db2.gz CGOCARAXSSZOSY-ZWKOTPCHSA-N 2 0 349.519 1.556 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033592924 708292047 /nfs/dbraw/zinc/29/20/47/708292047.db2.gz JSXCFMJKKMYBCW-QZTJIDSGSA-N 2 0 343.471 1.349 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001001835721 708340456 /nfs/dbraw/zinc/34/04/56/708340456.db2.gz ZJOQBSJHXARXFH-KDOFPFPSSA-N 2 0 345.491 1.311 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666792 708452426 /nfs/dbraw/zinc/45/24/26/708452426.db2.gz ZJZDOKOVXSFXEY-SJORKVTESA-N 2 0 331.460 1.680 20 0 EDADRP Cc1cnc([C@@H](C)N2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002120616 708634287 /nfs/dbraw/zinc/63/42/87/708634287.db2.gz JSXPDTMPRMKKQL-GDBMZVCRSA-N 2 0 334.464 1.824 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002126670 708642512 /nfs/dbraw/zinc/64/25/12/708642512.db2.gz OSYULWMLXRNYMZ-INIZCTEOSA-N 2 0 331.464 1.065 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033772738 708670926 /nfs/dbraw/zinc/67/09/26/708670926.db2.gz BVVLTGUGHGKQDA-AEFFLSMTSA-N 2 0 330.476 1.907 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001033778248 708706602 /nfs/dbraw/zinc/70/66/02/708706602.db2.gz YZFCFEKUIZSMBX-QZTJIDSGSA-N 2 0 347.507 1.517 20 0 EDADRP CC[C@@H](F)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005395981 708877084 /nfs/dbraw/zinc/87/70/84/708877084.db2.gz DXTHOMKGVAICMC-NVXWUHKLSA-N 2 0 325.472 1.999 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005398333 708881784 /nfs/dbraw/zinc/88/17/84/708881784.db2.gz NSZUCYROSMGICH-VQIMIIECSA-N 2 0 349.519 1.678 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC2CCOCC2)CC1 ZINC001005398469 708882067 /nfs/dbraw/zinc/88/20/67/708882067.db2.gz ONWPJKWSGMXYAZ-LJQANCHMSA-N 2 0 349.519 1.678 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC001005408527 708916323 /nfs/dbraw/zinc/91/63/23/708916323.db2.gz AJOCEQGPISDNOU-CRAIPNDOSA-N 2 0 330.476 1.845 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001002477306 709014378 /nfs/dbraw/zinc/01/43/78/709014378.db2.gz YINZMGQPPCSTKY-QZTJIDSGSA-N 2 0 331.460 1.395 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC001005478016 709103923 /nfs/dbraw/zinc/10/39/23/709103923.db2.gz SXRZOHAYICCMTG-JKSUJKDBSA-N 2 0 338.496 1.048 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033982592 709191478 /nfs/dbraw/zinc/19/14/78/709191478.db2.gz DVSSRGMIDISNQO-KRWDZBQOSA-N 2 0 335.496 1.637 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002791412 709399079 /nfs/dbraw/zinc/39/90/79/709399079.db2.gz IDTXHBWYRUWNOS-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NC1CC[NH+](CCOC2CCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002835636 709447489 /nfs/dbraw/zinc/44/74/89/709447489.db2.gz ZDTQQGVCIUMINO-SFHVURJKSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875745 709483123 /nfs/dbraw/zinc/48/31/23/709483123.db2.gz QOIVQTGVNPXEOD-OALUTQOASA-N 2 0 347.503 1.931 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](Cc2ccccn2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034207867 709555526 /nfs/dbraw/zinc/55/55/26/709555526.db2.gz PJZZEHXBECNKLQ-MOPGFXCFSA-N 2 0 342.487 1.894 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321916 709772350 /nfs/dbraw/zinc/77/23/50/709772350.db2.gz XJRULNOGOGJXKN-SFANZJOMSA-N 2 0 347.503 1.620 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034395046 709932215 /nfs/dbraw/zinc/93/22/15/709932215.db2.gz ULDFZIRVPYVOAO-SJORKVTESA-N 2 0 333.480 1.196 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003160537 710069673 /nfs/dbraw/zinc/06/96/73/710069673.db2.gz QWKLOBFIVBTRPE-HUUCEWRRSA-N 2 0 345.434 1.476 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491099 710110744 /nfs/dbraw/zinc/11/07/44/710110744.db2.gz QKYYGWODKGLKMQ-AEFFLSMTSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003230880 710152056 /nfs/dbraw/zinc/15/20/56/710152056.db2.gz SJUYCVVIHUXHBD-SFHVURJKSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)O1 ZINC001003242742 710165537 /nfs/dbraw/zinc/16/55/37/710165537.db2.gz HEBIDZSFFHLTRB-WBVHZDCISA-N 2 0 335.492 1.763 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034529050 710183151 /nfs/dbraw/zinc/18/31/51/710183151.db2.gz VNAXUNRAVFEMEW-KRWDZBQOSA-N 2 0 333.480 1.295 20 0 EDADRP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034613358 710288326 /nfs/dbraw/zinc/28/83/26/710288326.db2.gz ZXJDMKMVEFEZCA-JYJNAYRXSA-N 2 0 348.495 1.470 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000922169481 710322059 /nfs/dbraw/zinc/32/20/59/710322059.db2.gz LSXSZRIKCAUSSK-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc3c2OCC3)(N2CCOCC2)CC1 ZINC000922182736 710361373 /nfs/dbraw/zinc/36/13/73/710361373.db2.gz DEVBUCPJACVFLP-UHFFFAOYSA-N 2 0 345.487 1.508 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](CCn3cccn3)CC2)C1 ZINC001003629565 710459289 /nfs/dbraw/zinc/45/92/89/710459289.db2.gz CHSZZZIEDRWYHD-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003632775 710461302 /nfs/dbraw/zinc/46/13/02/710461302.db2.gz CISPRJDEQYDCSB-CRAIPNDOSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003635240 710462365 /nfs/dbraw/zinc/46/23/65/710462365.db2.gz NHRYXXCSEBSCHK-RDJZCZTQSA-N 2 0 330.476 1.668 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003776023 710545076 /nfs/dbraw/zinc/54/50/76/710545076.db2.gz GDNXSRQCKFNPEU-ZWKOTPCHSA-N 2 0 345.491 1.481 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034672013 710617942 /nfs/dbraw/zinc/61/79/42/710617942.db2.gz GRCDADDLOKKUQV-ULQDDVLXSA-N 2 0 333.480 1.384 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034675257 710627121 /nfs/dbraw/zinc/62/71/21/710627121.db2.gz YJFBBMGRYMJNJW-XSLAGTTESA-N 2 0 337.508 1.914 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665422 710900239 /nfs/dbraw/zinc/90/02/39/710900239.db2.gz WJMNOFZOGSPPGV-INIZCTEOSA-N 2 0 343.431 1.135 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC001034733475 710913907 /nfs/dbraw/zinc/91/39/07/710913907.db2.gz CSRHBEUMOMFGJM-QKPAOTATSA-N 2 0 348.495 1.235 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034734824 710913985 /nfs/dbraw/zinc/91/39/85/710913985.db2.gz ADRGUDMXRSTTMA-JQFCIGGWSA-N 2 0 334.464 1.984 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737557 710950337 /nfs/dbraw/zinc/95/03/37/710950337.db2.gz MLIZVWQDHSIZRF-RZLSGREXSA-N 2 0 336.505 1.858 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cs1 ZINC001032958448 710951247 /nfs/dbraw/zinc/95/12/47/710951247.db2.gz AFPPKFKYRSGFLX-HZPDHXFCSA-N 2 0 336.505 1.621 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)CC2)[nH]1 ZINC001034762377 710999571 /nfs/dbraw/zinc/99/95/71/710999571.db2.gz DBMLMRUKOJJSAC-WKILWMFISA-N 2 0 348.495 1.362 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001034775687 711049571 /nfs/dbraw/zinc/04/95/71/711049571.db2.gz GDUZTDVSIAXVGJ-ULQDDVLXSA-N 2 0 347.507 1.587 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001034792411 711119456 /nfs/dbraw/zinc/11/94/56/711119456.db2.gz JCKDASCCRFSKPN-JYJNAYRXSA-N 2 0 331.464 1.254 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001034793917 711125074 /nfs/dbraw/zinc/12/50/74/711125074.db2.gz VIDXTFPTMOMUDA-BPLDGKMQSA-N 2 0 335.452 1.552 20 0 EDADRP Cc1cnc(CN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC001003977855 711150719 /nfs/dbraw/zinc/15/07/19/711150719.db2.gz YYHOOLOEOOYKIL-OAHLLOKOSA-N 2 0 331.464 1.207 20 0 EDADRP O=C(NC1CC[NH+](CC2CC(F)(F)C2)CC1)C12CC[NH+](CC1)C2 ZINC001003984495 711186691 /nfs/dbraw/zinc/18/66/91/711186691.db2.gz FHIFQGYAIGOUOE-UHFFFAOYSA-N 2 0 327.419 1.708 20 0 EDADRP CC(C)[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001034939726 711442324 /nfs/dbraw/zinc/44/23/24/711442324.db2.gz FPDJJUFUMHFDBE-KURKYZTESA-N 2 0 337.508 1.722 20 0 EDADRP Cn1nccc1C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001034970139 711449220 /nfs/dbraw/zinc/44/92/20/711449220.db2.gz WDIJSPMDCBIEOT-QGZVFWFLSA-N 2 0 345.491 1.377 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392121 711457460 /nfs/dbraw/zinc/45/74/60/711457460.db2.gz BMRGSDLTNJIKAM-RWQQGDIJSA-N 2 0 343.475 1.689 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(N(C)C)n3)C2)[C@@H]1C(C)C ZINC000922395622 711469036 /nfs/dbraw/zinc/46/90/36/711469036.db2.gz XOMKGUMUPQSXDR-VXIBKDFQSA-N 2 0 347.507 1.502 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033127588 711877851 /nfs/dbraw/zinc/87/78/51/711877851.db2.gz WHAKYYHHTBOZME-DLBZAZTESA-N 2 0 333.480 1.290 20 0 EDADRP CN(C(=O)[C@@H]1CCCc2nccn21)[C@H]1CCN(Cc2ccccn2)C1 ZINC001033151072 712117628 /nfs/dbraw/zinc/11/76/28/712117628.db2.gz HQKVQEBUGJRDMA-IRXDYDNUSA-N 2 0 339.443 1.888 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946642962 712129997 /nfs/dbraw/zinc/12/99/97/712129997.db2.gz XKOJHGYSGDSEFV-XWTMOSNGSA-N 2 0 335.492 1.166 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC000370536396 712330609 /nfs/dbraw/zinc/33/06/09/712330609.db2.gz SFJOAZQTHWQKFA-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000557672487 306233006 /nfs/dbraw/zinc/23/30/06/306233006.db2.gz AUJVJRRLZOAYRL-INIZCTEOSA-N 2 0 325.497 1.460 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C)CC1 ZINC000558053844 306235428 /nfs/dbraw/zinc/23/54/28/306235428.db2.gz MPVRMKZXBPLQTQ-PKOBYXMFSA-N 2 0 344.503 1.403 20 0 EDADRP C[NH+](CCCO)C1CCN(C(=O)NCC[N@@H+](C)C2CCCC2)CC1 ZINC000154759054 529913222 /nfs/dbraw/zinc/91/32/22/529913222.db2.gz SSOKMHHNQWWMGB-UHFFFAOYSA-N 2 0 340.512 1.349 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000560100543 306260919 /nfs/dbraw/zinc/26/09/19/306260919.db2.gz NPPWBOGDYDMAJE-UHFFFAOYSA-N 2 0 337.383 1.700 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnc(CC2CC2)nc1 ZINC000560376891 306266608 /nfs/dbraw/zinc/26/66/08/306266608.db2.gz RUYRAFUTHGOEOO-UHFFFAOYSA-N 2 0 334.468 1.386 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000262949345 535052036 /nfs/dbraw/zinc/05/20/36/535052036.db2.gz BMHQTHPKNYBGLW-SFHVURJKSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)C[C@@H](C)O1 ZINC000560598545 306275470 /nfs/dbraw/zinc/27/54/70/306275470.db2.gz UWMVFTPFWIMQMN-ZACQAIPSSA-N 2 0 325.497 1.819 20 0 EDADRP COCc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000179235291 232845339 /nfs/dbraw/zinc/84/53/39/232845339.db2.gz SXWNXBCRDXDFFR-UHFFFAOYSA-N 2 0 333.476 1.723 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000412394473 304005274 /nfs/dbraw/zinc/00/52/74/304005274.db2.gz QNVNLKYAGVHKIZ-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP Cn1cnc(CCNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)c1 ZINC000561203660 306284611 /nfs/dbraw/zinc/28/46/11/306284611.db2.gz KCNYGFHLIQJWIV-SJORKVTESA-N 2 0 345.422 1.628 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000103298056 219286198 /nfs/dbraw/zinc/28/61/98/219286198.db2.gz MCWFVFJNWLCRBW-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000103301936 219287331 /nfs/dbraw/zinc/28/73/31/219287331.db2.gz WEOLJJLBIIUVCC-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2CCO)CC1 ZINC000342013017 539755130 /nfs/dbraw/zinc/75/51/30/539755130.db2.gz FOWWTAQWIRBEKK-QGZVFWFLSA-N 2 0 325.497 1.602 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000345343888 539829076 /nfs/dbraw/zinc/82/90/76/539829076.db2.gz NCKNDZAZCXKVHE-BZUAXINKSA-N 2 0 328.501 1.203 20 0 EDADRP COc1cc(Cl)c(C)cc1NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000562746875 306307625 /nfs/dbraw/zinc/30/76/25/306307625.db2.gz RYTLOVTZXPNONB-NSHDSACASA-N 2 0 326.828 1.764 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000562805671 306309618 /nfs/dbraw/zinc/30/96/18/306309618.db2.gz KQXLBTULIKOQGY-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000563082109 306318103 /nfs/dbraw/zinc/31/81/03/306318103.db2.gz VSKHXMGJXOWPEP-JCYILVPMSA-N 2 0 341.496 1.232 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2([NH3+])C[C@@H](OCC)C2(C)C)C1 ZINC000249074471 283060578 /nfs/dbraw/zinc/06/05/78/283060578.db2.gz NEDLBZPWSHPEDJ-DAYGRLMNSA-N 2 0 325.497 1.709 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000333567181 283147729 /nfs/dbraw/zinc/14/77/29/283147729.db2.gz RLGZBMXPTNIBIK-FLRQUGKWSA-N 2 0 346.519 1.876 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237563666 299241454 /nfs/dbraw/zinc/24/14/54/299241454.db2.gz IQRNCJGKBXULLM-IFXJQAMLSA-N 2 0 348.466 1.754 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000074252919 138230118 /nfs/dbraw/zinc/23/01/18/138230118.db2.gz BUBDULJOKFPBOR-LJQANCHMSA-N 2 0 344.503 1.995 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077552837 138253153 /nfs/dbraw/zinc/25/31/53/138253153.db2.gz CIWGLJFAPDAXOW-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CN1c2ccc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cc2CCC1=O ZINC000187117244 236122851 /nfs/dbraw/zinc/12/28/51/236122851.db2.gz GLPYZCYLAPOAKF-UHFFFAOYSA-N 2 0 344.503 1.711 20 0 EDADRP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000360413547 295958939 /nfs/dbraw/zinc/95/89/39/295958939.db2.gz LTXRSVAMOVQLMU-DOTOQJQBSA-N 2 0 342.553 1.843 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](CC3(OC)CCOCC3)CC2)CC1 ZINC000365435637 283318833 /nfs/dbraw/zinc/31/88/33/283318833.db2.gz JBVNCOIAPOFLMU-UHFFFAOYSA-N 2 0 339.524 1.674 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000343995559 283320992 /nfs/dbraw/zinc/32/09/92/283320992.db2.gz SXZXOOIAUGGNTL-INIZCTEOSA-N 2 0 346.541 1.111 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000369655630 283351561 /nfs/dbraw/zinc/35/15/61/283351561.db2.gz HTNKXMJDESNHSU-XMTFNYHQSA-N 2 0 334.508 1.844 20 0 EDADRP CN(C)c1ncc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1C ZINC000414356679 304111238 /nfs/dbraw/zinc/11/12/38/304111238.db2.gz GCGYLIUOSRLCAX-IBGZPJMESA-N 2 0 343.475 1.213 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000566012941 306396416 /nfs/dbraw/zinc/39/64/16/306396416.db2.gz ZKBNKMPVBFTCPL-PMACEKPBSA-N 2 0 327.472 1.986 20 0 EDADRP C[NH+]1CCC(C[NH2+]C/C=C\c2ccncc2)(N2CCOCC2)CC1 ZINC000414478313 304117906 /nfs/dbraw/zinc/11/79/06/304117906.db2.gz DNYGSXNMSSXWDN-IHWYPQMZSA-N 2 0 330.476 1.481 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000414694111 304128292 /nfs/dbraw/zinc/12/82/92/304128292.db2.gz CXTVEMGDZZDYIF-UHFFFAOYSA-N 2 0 332.448 1.193 20 0 EDADRP CCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000414699184 304129555 /nfs/dbraw/zinc/12/95/55/304129555.db2.gz JMWATJGVORHINR-AHCXZYCDSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414701678 304129775 /nfs/dbraw/zinc/12/97/75/304129775.db2.gz KNZWXVITVDMKRL-ILXRZTDVSA-N 2 0 346.475 1.881 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C[C@H](O)COc3ccccc3)CC2)CC[NH2+]1 ZINC000414705399 304130417 /nfs/dbraw/zinc/13/04/17/304130417.db2.gz WYXWSIDHNMDPBJ-QYZOEREBSA-N 2 0 347.503 1.432 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@@H]1[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707644 304130994 /nfs/dbraw/zinc/13/09/94/304130994.db2.gz MXPDSPOOILNFMW-OWCLPIDISA-N 2 0 325.497 1.709 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000414732654 304134550 /nfs/dbraw/zinc/13/45/50/304134550.db2.gz UOCSJVMIXRMQTL-UHFFFAOYSA-N 2 0 332.448 1.145 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C[NH+]1CCCC1 ZINC000414743053 304136088 /nfs/dbraw/zinc/13/60/88/304136088.db2.gz UYFUIOXQSJRLKK-AWEZNQCLSA-N 2 0 344.459 1.119 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000348042435 296119274 /nfs/dbraw/zinc/11/92/74/296119274.db2.gz NFTHHAKDTRIORL-CYBMUJFWSA-N 2 0 326.462 1.197 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414828759 304145765 /nfs/dbraw/zinc/14/57/65/304145765.db2.gz MPYGYLZZWCTSHG-KGLIPLIRSA-N 2 0 333.432 1.780 20 0 EDADRP CCOc1cc(CNC[C@H]2CCC[NH2+]2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414851143 304148047 /nfs/dbraw/zinc/14/80/47/304148047.db2.gz UATLZAXKKHFMFA-GDBMZVCRSA-N 2 0 349.475 1.782 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000566745194 306427379 /nfs/dbraw/zinc/42/73/79/306427379.db2.gz GHHFBDXCCCZKJP-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)CCCC[NH3+])CC1 ZINC000415019399 304151360 /nfs/dbraw/zinc/15/13/60/304151360.db2.gz VRXPRYYRHKTBEA-MRXNPFEDSA-N 2 0 332.492 1.962 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566903740 306432454 /nfs/dbraw/zinc/43/24/54/306432454.db2.gz IQZPSVXMYVJKCJ-SJORKVTESA-N 2 0 346.475 1.378 20 0 EDADRP CCOc1cc(CN(C)C[C@H](O)C[NH3+])cc(Br)c1OC ZINC000415055408 304154969 /nfs/dbraw/zinc/15/49/69/304154969.db2.gz MWUGUALLTJVUAD-LLVKDONJSA-N 2 0 347.253 1.608 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415059483 304155625 /nfs/dbraw/zinc/15/56/25/304155625.db2.gz YFJBMIYRFHDKIR-AUUYWEPGSA-N 2 0 349.475 1.627 20 0 EDADRP C[C@@]1(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090485 304158752 /nfs/dbraw/zinc/15/87/52/304158752.db2.gz OZJQCJLSIFGZFU-UYAOXDASSA-N 3 0 344.503 1.473 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)c1ccc(F)cc1 ZINC000194828580 139000816 /nfs/dbraw/zinc/00/08/16/139000816.db2.gz MKFMTPQZUNQWIH-AWEZNQCLSA-N 2 0 336.436 1.816 20 0 EDADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415120954 304161720 /nfs/dbraw/zinc/16/17/20/304161720.db2.gz GUZOIKXFSWVBSG-OAHLLOKOSA-N 2 0 331.420 1.591 20 0 EDADRP CCc1ccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415134365 304162417 /nfs/dbraw/zinc/16/24/17/304162417.db2.gz DPFGPMDPYWXQOZ-RBUKOAKNSA-N 2 0 342.487 1.969 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000195133320 139007529 /nfs/dbraw/zinc/00/75/29/139007529.db2.gz TYEFSUDGTMEILM-AEFFLSMTSA-N 2 0 331.460 1.948 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)c2cccs2)CC1 ZINC000236660852 139027967 /nfs/dbraw/zinc/02/79/67/139027967.db2.gz MANOGFBMQBNJQP-QLFBSQMISA-N 2 0 337.489 1.360 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159772 304167891 /nfs/dbraw/zinc/16/78/91/304167891.db2.gz GYTGDAJYYNXBLR-HOCLYGCPSA-N 2 0 330.432 1.027 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000236955643 139036367 /nfs/dbraw/zinc/03/63/67/139036367.db2.gz FCXLJCLUEJHOLD-HXUWFJFHSA-N 2 0 344.503 1.440 20 0 EDADRP C[NH2+]CCCC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237185370 139043310 /nfs/dbraw/zinc/04/33/10/139043310.db2.gz DUUTUUREDOFNLR-HOTGVXAUSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC12CC[NH2+]CC2)C1([NH+]2CCOCC2)CCCC1 ZINC000237425138 139050857 /nfs/dbraw/zinc/05/08/57/139050857.db2.gz KLZBJGVSJMERNX-HZPDHXFCSA-N 2 0 335.492 1.526 20 0 EDADRP C[C@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237435689 139051154 /nfs/dbraw/zinc/05/11/54/139051154.db2.gz SLZGKBUYHGEVMH-MAUKXSAKSA-N 2 0 332.492 1.465 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)cc1 ZINC000415205412 304174762 /nfs/dbraw/zinc/17/47/62/304174762.db2.gz ZYYZXASYOOOUMP-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000237606402 139055419 /nfs/dbraw/zinc/05/54/19/139055419.db2.gz UISSBYDVFHJTCX-CYGHRXIMSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000415224994 304176159 /nfs/dbraw/zinc/17/61/59/304176159.db2.gz HGADWMGSCLNTNO-ZQIUZPCESA-N 2 0 344.459 1.730 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000245386861 139071443 /nfs/dbraw/zinc/07/14/43/139071443.db2.gz RCHNMSOGELGTDV-XYJFISCASA-N 2 0 328.497 1.594 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21)CN1CCOCC1 ZINC000246016824 139092438 /nfs/dbraw/zinc/09/24/38/139092438.db2.gz UOMDKSPJQUFGIL-BRWVUGGUSA-N 2 0 338.496 1.080 20 0 EDADRP CCC[C@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000246674160 139117257 /nfs/dbraw/zinc/11/72/57/139117257.db2.gz XINHGYIDAFHOJZ-ROUUACIJSA-N 2 0 339.524 1.972 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000247068522 139133931 /nfs/dbraw/zinc/13/39/31/139133931.db2.gz WLUJSKXXDXTOAR-FHLIZLRMSA-N 2 0 349.475 1.799 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000415352629 304201435 /nfs/dbraw/zinc/20/14/35/304201435.db2.gz BOLRBWSNNHZXKC-MRXNPFEDSA-N 2 0 344.459 1.418 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364578772 296268586 /nfs/dbraw/zinc/26/85/86/296268586.db2.gz DTZHCBMDBHHDAO-OAHLLOKOSA-N 2 0 331.464 1.413 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344551500 284669774 /nfs/dbraw/zinc/66/97/74/284669774.db2.gz RNJRCWLGJQYGMK-CVEARBPZSA-N 2 0 328.501 1.109 20 0 EDADRP CCN(C)CC[NH2+][C@@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248638485 139169479 /nfs/dbraw/zinc/16/94/79/139169479.db2.gz WDCGHAOYUUIRHF-GJZGRUSLSA-N 2 0 329.485 1.942 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248644134 139169884 /nfs/dbraw/zinc/16/98/84/139169884.db2.gz RXKOFHATTQRPQM-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000568868704 306491273 /nfs/dbraw/zinc/49/12/73/306491273.db2.gz AUMQFMOSNUDALW-OAHLLOKOSA-N 2 0 337.851 1.884 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)cc3OC)C2)CC1 ZINC000093132622 218196325 /nfs/dbraw/zinc/19/63/25/218196325.db2.gz HPFCGTVUHPIJRN-QGZVFWFLSA-N 2 0 333.476 1.916 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncn1 ZINC000249042508 139183885 /nfs/dbraw/zinc/18/38/85/139183885.db2.gz VFZHWTJJBKZBCN-WTXIUTQJSA-N 2 0 330.480 1.702 20 0 EDADRP COC1CC[NH+](C2(CN[C@@H](C)C[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000422883122 284773565 /nfs/dbraw/zinc/77/35/65/284773565.db2.gz BPOBZPREASDCPP-IRXDYDNUSA-N 2 0 339.524 1.767 20 0 EDADRP C[C@H](NC(=O)C1(C[NH3+])CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261560689 139209066 /nfs/dbraw/zinc/20/90/66/139209066.db2.gz FKEHHKMKEHTCSW-FUHWJXTLSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000261703109 139219050 /nfs/dbraw/zinc/21/90/50/139219050.db2.gz IGACDXKAVPKHOE-KBXCAEBGSA-N 2 0 331.460 1.303 20 0 EDADRP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261781235 139225470 /nfs/dbraw/zinc/22/54/70/139225470.db2.gz XXHHCYJDYACABJ-NVXWUHKLSA-N 2 0 333.480 1.117 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000261771044 139224641 /nfs/dbraw/zinc/22/46/41/139224641.db2.gz IRUWZVCDGJMVGZ-MRXNPFEDSA-N 2 0 345.491 1.229 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261820397 139229004 /nfs/dbraw/zinc/22/90/04/139229004.db2.gz WPNDFTWLFPHPCA-ZDUSSCGKSA-N 2 0 329.366 1.992 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261829820 139229676 /nfs/dbraw/zinc/22/96/76/139229676.db2.gz IDZFUOFFLNMWDV-WBVHZDCISA-N 2 0 349.500 1.989 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261858817 139231929 /nfs/dbraw/zinc/23/19/29/139231929.db2.gz SCASFDZUENTOQU-QGZVFWFLSA-N 2 0 335.448 1.710 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000261854524 139231698 /nfs/dbraw/zinc/23/16/98/139231698.db2.gz JSVRJGLIRXZRBZ-CGTJXYLNSA-N 2 0 326.444 1.781 20 0 EDADRP COc1ccc(CN2CCC[N@H+](CC3CC[NH2+]CC3)CC2=O)cc1 ZINC000261995391 139242629 /nfs/dbraw/zinc/24/26/29/139242629.db2.gz STLZLHAYYZVLEA-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP CCCN([C@H]1CC[NH2+]C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262047937 139246653 /nfs/dbraw/zinc/24/66/53/139246653.db2.gz MFKLQLLEHFHMOY-HNNXBMFYSA-N 2 0 325.478 1.511 20 0 EDADRP COC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000262204805 139259635 /nfs/dbraw/zinc/25/96/35/139259635.db2.gz DJYCDHJSMHIUPJ-KRWDZBQOSA-N 2 0 332.448 1.131 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262223304 139261342 /nfs/dbraw/zinc/26/13/42/139261342.db2.gz FVQIEZDKMVOOAH-CZUORRHYSA-N 2 0 325.478 1.639 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416215205 251058486 /nfs/dbraw/zinc/05/84/86/251058486.db2.gz NGBOQOVPXHSOEU-SJLPKXTDSA-N 2 0 347.503 1.983 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417001686 251127133 /nfs/dbraw/zinc/12/71/33/251127133.db2.gz FDOCOHXWSRAYDR-FUHWJXTLSA-N 2 0 328.460 1.296 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000417007522 251128856 /nfs/dbraw/zinc/12/88/56/251128856.db2.gz LAMXMBHNBYNWRY-MSOLQXFVSA-N 2 0 332.492 1.976 20 0 EDADRP COCC1(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000262318820 139269756 /nfs/dbraw/zinc/26/97/56/139269756.db2.gz BXFOZDXERRYEOS-IAGOWNOFSA-N 2 0 339.524 1.877 20 0 EDADRP CC(C)(CNC(=O)N1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417089059 251141821 /nfs/dbraw/zinc/14/18/21/251141821.db2.gz MWIOWUFYFIGSDG-QGZVFWFLSA-N 2 0 330.476 1.956 20 0 EDADRP COCC1(CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC[NH2+]CC1 ZINC000417090588 251141833 /nfs/dbraw/zinc/14/18/33/251141833.db2.gz XGPXBVBBIPVRHL-HNNXBMFYSA-N 2 0 328.501 1.278 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000417423029 251167723 /nfs/dbraw/zinc/16/77/23/251167723.db2.gz QFQUODWFBLCNLS-BBWFWOEESA-N 2 0 346.475 1.976 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)[NH+](C)C)cc1 ZINC000417318022 251157240 /nfs/dbraw/zinc/15/72/40/251157240.db2.gz XVSINBYQRAYKSS-KSZLIROESA-N 2 0 330.476 1.991 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)N[C@@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000417521556 251182663 /nfs/dbraw/zinc/18/26/63/251182663.db2.gz ZHMVECZSZKXTBG-ROUUACIJSA-N 2 0 348.491 1.699 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000417596956 251201420 /nfs/dbraw/zinc/20/14/20/251201420.db2.gz RMIVUBMNMONFMJ-ZWKOTPCHSA-N 2 0 347.507 1.355 20 0 EDADRP C[N@H+](Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400658 139276300 /nfs/dbraw/zinc/27/63/00/139276300.db2.gz OEIWTJFHIPASRM-RTBURBONSA-N 2 0 345.487 1.790 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417650729 251214101 /nfs/dbraw/zinc/21/41/01/251214101.db2.gz NSJIEJXYIFXSRQ-BXUZGUMPSA-N 2 0 344.381 1.926 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000417699229 251232143 /nfs/dbraw/zinc/23/21/43/251232143.db2.gz GWNYDURUQSRYDF-INIZCTEOSA-N 2 0 347.507 1.320 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417731067 251247385 /nfs/dbraw/zinc/24/73/85/251247385.db2.gz FGTZJXVKQSBVSP-LJIGWXMPSA-N 2 0 348.516 1.992 20 0 EDADRP CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1CC[NH2+]CC1 ZINC000417813286 251280700 /nfs/dbraw/zinc/28/07/00/251280700.db2.gz GEMOWKLEQVNTHY-INIZCTEOSA-N 2 0 328.526 1.597 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000262503206 139282847 /nfs/dbraw/zinc/28/28/47/139282847.db2.gz AOEWPFCZJAWEDR-CABCVRRESA-N 2 0 334.464 1.235 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)CCC(F)(F)F ZINC000418077598 251321135 /nfs/dbraw/zinc/32/11/35/251321135.db2.gz MEDAGFLTCSRSIR-QWHCGFSZSA-N 2 0 336.402 1.654 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000418435975 251370025 /nfs/dbraw/zinc/37/00/25/251370025.db2.gz BIILKNCNBOQVEE-INIZCTEOSA-N 2 0 326.485 1.258 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000418434001 251370628 /nfs/dbraw/zinc/37/06/28/251370628.db2.gz DXCHINMIDQRHOQ-UHFFFAOYSA-N 2 0 327.517 1.171 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000418162665 251349476 /nfs/dbraw/zinc/34/94/76/251349476.db2.gz GMEGWYKFSUXYAV-KBXCAEBGSA-N 2 0 346.475 1.648 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000262529557 139284495 /nfs/dbraw/zinc/28/44/95/139284495.db2.gz MSIDWOQWCQAOED-HOTGVXAUSA-N 2 0 332.492 1.424 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)N2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000418194484 251353807 /nfs/dbraw/zinc/35/38/07/251353807.db2.gz FJXSULSCIXOULZ-QGZVFWFLSA-N 2 0 334.464 1.691 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000418202082 251356164 /nfs/dbraw/zinc/35/61/64/251356164.db2.gz IMDBKZUTQUNBAB-JQFCIGGWSA-N 2 0 334.464 1.390 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418708056 251389462 /nfs/dbraw/zinc/38/94/62/251389462.db2.gz UCBRCSFIWPRJTN-VXGBXAGGSA-N 2 0 328.407 1.774 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418707208 251390462 /nfs/dbraw/zinc/39/04/62/251390462.db2.gz GDBVZFZWYPXAOH-MRXNPFEDSA-N 2 0 326.485 1.258 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418709771 251391906 /nfs/dbraw/zinc/39/19/06/251391906.db2.gz DJDFYBYJOYCMIK-CVEARBPZSA-N 2 0 327.517 1.029 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418726371 251398418 /nfs/dbraw/zinc/39/84/18/251398418.db2.gz CRMJHYQYVAGIIE-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000262553139 139286143 /nfs/dbraw/zinc/28/61/43/139286143.db2.gz ZQWJJYVXKQVGPS-OLZOCXBDSA-N 2 0 347.463 1.824 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1C ZINC000418641367 251382347 /nfs/dbraw/zinc/38/23/47/251382347.db2.gz SCLVXRLAVBGLQY-MSOLQXFVSA-N 2 0 330.476 1.855 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418687281 251386626 /nfs/dbraw/zinc/38/66/26/251386626.db2.gz RBAGWLSWFKHUDF-BRWVUGGUSA-N 2 0 340.512 1.144 20 0 EDADRP [NH3+]CC(=O)NCc1ccccc1C[NH+]1CCN(c2ccccc2)CC1 ZINC000262625364 139291173 /nfs/dbraw/zinc/29/11/73/139291173.db2.gz BKWPKPXGKVUJPD-UHFFFAOYSA-N 2 0 338.455 1.584 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262655216 139293505 /nfs/dbraw/zinc/29/35/05/139293505.db2.gz TZTZQZCXCXXIDN-ZWKOTPCHSA-N 2 0 330.476 1.048 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262657024 139293706 /nfs/dbraw/zinc/29/37/06/139293706.db2.gz DFUKVNSAFACLJG-INIZCTEOSA-N 2 0 332.448 1.578 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422714772 251960161 /nfs/dbraw/zinc/96/01/61/251960161.db2.gz LLENYQXEUATVBK-UXHICEINSA-N 2 0 347.503 1.874 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000422875018 252008203 /nfs/dbraw/zinc/00/82/03/252008203.db2.gz BHLOAUGWCIDKTM-BZSNNMDCSA-N 2 0 330.476 1.664 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000422881012 252009408 /nfs/dbraw/zinc/00/94/08/252009408.db2.gz MZVBYTRGVYWARV-MSOLQXFVSA-N 2 0 330.476 1.291 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422885966 252012141 /nfs/dbraw/zinc/01/21/41/252012141.db2.gz ZTKLJJDOBRJVEA-HKUYNNGSSA-N 2 0 344.503 1.962 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000422897610 252015468 /nfs/dbraw/zinc/01/54/68/252015468.db2.gz CHBLAMJTSHCWNK-HOCLYGCPSA-N 2 0 339.505 1.803 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000423042759 252027415 /nfs/dbraw/zinc/02/74/15/252027415.db2.gz MABWIODEOIGEDW-CVEARBPZSA-N 2 0 347.438 1.743 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)Cc2ccccc2C)CC[NH2+]CC1 ZINC000423058511 252031018 /nfs/dbraw/zinc/03/10/18/252031018.db2.gz JSKCOSYYYKWUPH-FUHWJXTLSA-N 2 0 348.487 1.809 20 0 EDADRP C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@H]1CC[NH2+]C1 ZINC000423094109 252036124 /nfs/dbraw/zinc/03/61/24/252036124.db2.gz JKJVNFVTDSLSKI-OLZOCXBDSA-N 2 0 329.441 1.034 20 0 EDADRP C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000423094108 252036262 /nfs/dbraw/zinc/03/62/62/252036262.db2.gz JKJVNFVTDSLSKI-CHWSQXEVSA-N 2 0 329.441 1.034 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423178140 252042391 /nfs/dbraw/zinc/04/23/91/252042391.db2.gz KHNSSVOLNAUVTF-JTQLQIEISA-N 2 0 333.299 1.852 20 0 EDADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345690 252048151 /nfs/dbraw/zinc/04/81/51/252048151.db2.gz GBDOPBUGEBELLI-GOSISDBHSA-N 2 0 327.432 1.927 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423515391 252058364 /nfs/dbraw/zinc/05/83/64/252058364.db2.gz NDFHCNZSAHWGHC-XRXFAXGQSA-N 2 0 342.531 1.923 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422905581 252018032 /nfs/dbraw/zinc/01/80/32/252018032.db2.gz ZHVKNAPAVHAPFE-SQWLQELKSA-N 2 0 331.460 1.993 20 0 EDADRP COC(=O)C[C@H](C)N1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000423789135 252074273 /nfs/dbraw/zinc/07/42/73/252074273.db2.gz SQWSMIWYZVNIDK-WMLDXEAASA-N 2 0 333.432 1.091 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424138583 252138894 /nfs/dbraw/zinc/13/88/94/252138894.db2.gz DHSCYBKJJTUCRJ-GFCCVEGCSA-N 2 0 327.375 1.734 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424142129 252142096 /nfs/dbraw/zinc/14/20/96/252142096.db2.gz UYBYSVTVQWHJQE-JKSUJKDBSA-N 2 0 342.447 1.235 20 0 EDADRP Cn1cc(C(=O)Nc2ccc3c(c2)C[NH2+]C3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424193708 252158182 /nfs/dbraw/zinc/15/81/82/252158182.db2.gz RCTKBALPJOGPIC-CYBMUJFWSA-N 2 0 325.416 1.743 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)c3sccc3C[NH+](C)C)C[C@H]2[NH3+])cn1 ZINC000424228459 252171709 /nfs/dbraw/zinc/17/17/09/252171709.db2.gz SUIFLAOBUXGGJK-UONOGXRCSA-N 2 0 333.461 1.110 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCCc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424284250 252190548 /nfs/dbraw/zinc/19/05/48/252190548.db2.gz DFZRAPBMDMXGPU-OAHLLOKOSA-N 2 0 333.451 1.948 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424431768 252228047 /nfs/dbraw/zinc/22/80/47/252228047.db2.gz AJYDWWCMOKSDOO-UHFFFAOYSA-N 2 0 347.507 1.993 20 0 EDADRP C[C@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000263256800 139331381 /nfs/dbraw/zinc/33/13/81/139331381.db2.gz LDMRLTPKUSKLKU-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000415672936 304253475 /nfs/dbraw/zinc/25/34/75/304253475.db2.gz MCYKBQYAQMNLDX-IYBDPMFKSA-N 2 0 344.459 1.145 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112274068 220280641 /nfs/dbraw/zinc/28/06/41/220280641.db2.gz QWTSEJKPSULZLD-MRXNPFEDSA-N 2 0 345.491 1.438 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000112436190 220326672 /nfs/dbraw/zinc/32/66/72/220326672.db2.gz JRJNQAOQMRZLMQ-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP COc1cccc([C@H]2C[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000570155691 306531668 /nfs/dbraw/zinc/53/16/68/306531668.db2.gz RPBQJNJKTVTRAT-BZSNNMDCSA-N 2 0 333.476 1.139 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N(C)CC[NH+]2CCCC2)CC1 ZINC000112743479 220393682 /nfs/dbraw/zinc/39/36/82/220393682.db2.gz OJGWWXSEBWHWKU-UHFFFAOYSA-N 2 0 339.528 1.141 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1C[NH+](C)C ZINC000415754675 304265972 /nfs/dbraw/zinc/26/59/72/304265972.db2.gz ZSJPHRFVWNSAOO-HOCLYGCPSA-N 2 0 344.459 1.063 20 0 EDADRP C[C@@H]1C[C@@H](S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000450966453 254706307 /nfs/dbraw/zinc/70/63/07/254706307.db2.gz GCQSUUCKPAWOIF-CVEARBPZSA-N 2 0 349.541 1.089 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557458 255032542 /nfs/dbraw/zinc/03/25/42/255032542.db2.gz JVOQBJBHDFIFMC-KANFNMMFSA-N 2 0 327.472 1.775 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)O1 ZINC000345716981 285247173 /nfs/dbraw/zinc/24/71/73/285247173.db2.gz GTSHMYGBHAQQBI-CVEARBPZSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(N2CCOCC2)CCSC1 ZINC000154432722 224252350 /nfs/dbraw/zinc/25/23/50/224252350.db2.gz MRUXGJOZTKQDLC-WCXIOVBPSA-N 2 0 327.538 1.513 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCOC2=O)[C@H](C)C1 ZINC000493473650 255210684 /nfs/dbraw/zinc/21/06/84/255210684.db2.gz PNCJINJVPUYTPR-CVEARBPZSA-N 2 0 327.469 1.555 20 0 EDADRP O=C(/C=C/c1ncc[nH]1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493304884 255202693 /nfs/dbraw/zinc/20/26/93/255202693.db2.gz OXPXUGLYHQCKOO-VOTSOKGWSA-N 2 0 339.443 1.357 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000494185870 255241447 /nfs/dbraw/zinc/24/14/47/255241447.db2.gz NKNVMXRNNBSDSA-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C)C(C)C ZINC000494872907 255263920 /nfs/dbraw/zinc/26/39/20/255263920.db2.gz VUWSNIVIRFKKJY-INIZCTEOSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000118774442 221180316 /nfs/dbraw/zinc/18/03/16/221180316.db2.gz VOHGHHCLXWIJDX-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[NH+]1CCN(CC2(CN3CC[NH+](C(C)C)CC3)COC2)CC1 ZINC000119317760 221293294 /nfs/dbraw/zinc/29/32/94/221293294.db2.gz NTRMYWALLHWHTB-UHFFFAOYSA-N 2 0 338.540 1.055 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000415835527 304279699 /nfs/dbraw/zinc/27/96/99/304279699.db2.gz JKOJVKNFGUPIEZ-INIZCTEOSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1[NH3+] ZINC000415836735 304279830 /nfs/dbraw/zinc/27/98/30/304279830.db2.gz XVWYZPJAKFDJEB-YOEHRIQHSA-N 2 0 344.459 1.417 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1 ZINC000264308299 139395866 /nfs/dbraw/zinc/39/58/66/139395866.db2.gz UGCREHMRECIWTJ-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@](C)(O)C[NH+](C)C)([NH+](C)C)C1 ZINC000123106305 296454895 /nfs/dbraw/zinc/45/48/95/296454895.db2.gz NZBNWSFZVMKQMX-HYVNUMGLSA-N 2 0 328.501 1.109 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2ccccc2C[NH2+]C)CC[N@@H+]1CCOC ZINC000415914138 304285183 /nfs/dbraw/zinc/28/51/83/304285183.db2.gz UVNUHMKNZSMUJO-INIZCTEOSA-N 2 0 334.464 1.981 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@@H+]1CCOC ZINC000415924205 304285542 /nfs/dbraw/zinc/28/55/42/304285542.db2.gz YBKMRSCBGRZMFA-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP COc1cccc([C@H](CNC(=O)c2conc2C(C)(C)[NH3+])[NH+](C)C)c1 ZINC000571296759 306562095 /nfs/dbraw/zinc/56/20/95/306562095.db2.gz AUZYHBLIBBLKSC-HNNXBMFYSA-N 2 0 346.431 1.910 20 0 EDADRP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1O ZINC000270847047 140182018 /nfs/dbraw/zinc/18/20/18/140182018.db2.gz GBTJILLWDNBDPR-NXWXRZEISA-N 2 0 345.487 1.468 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(OCC[NH+](C)C)cc1 ZINC000270943676 140204287 /nfs/dbraw/zinc/20/42/87/140204287.db2.gz MZLZFALQOZEXOD-OAHLLOKOSA-N 2 0 335.448 1.534 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000271176268 140251283 /nfs/dbraw/zinc/25/12/83/140251283.db2.gz YBHLRFRVVGTJBM-QGZVFWFLSA-N 2 0 345.487 1.519 20 0 EDADRP CCOCCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000271569094 140312783 /nfs/dbraw/zinc/31/27/83/140312783.db2.gz PICYEKKOFCGZSE-UHFFFAOYSA-N 2 0 349.479 1.272 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccccn4)C3)C[C@H]21 ZINC000333127115 141268400 /nfs/dbraw/zinc/26/84/00/141268400.db2.gz BEOLVRJAVDFTLN-QKPAOTATSA-N 2 0 329.448 1.429 20 0 EDADRP C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CCC[NH2+]C1 ZINC000333393838 141310857 /nfs/dbraw/zinc/31/08/57/141310857.db2.gz PDLYOWHPBAUCMK-JKSUJKDBSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)N[C@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333475970 141323703 /nfs/dbraw/zinc/32/37/03/141323703.db2.gz BLZNNUWMPFHPIG-UXLLHSPISA-N 2 0 338.496 1.269 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000333709006 141362723 /nfs/dbraw/zinc/36/27/23/141362723.db2.gz RYZLGUCCTXBKCS-CEXWTWQISA-N 2 0 342.487 1.773 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000333910940 141408282 /nfs/dbraw/zinc/40/82/82/141408282.db2.gz DZQCHHMBJPZIHQ-HUUCEWRRSA-N 2 0 340.537 1.788 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000339904923 142195907 /nfs/dbraw/zinc/19/59/07/142195907.db2.gz YWIVDKDEDMTJQV-QGZVFWFLSA-N 2 0 330.432 1.907 20 0 EDADRP C[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000340278803 142328296 /nfs/dbraw/zinc/32/82/96/142328296.db2.gz LUSVISSYWWPWBJ-MRXNPFEDSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000340320696 142340764 /nfs/dbraw/zinc/34/07/64/142340764.db2.gz ZQZKRWXINVYKNY-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(OCC3CCCC3)CC2)C1 ZINC000572463994 306589629 /nfs/dbraw/zinc/58/96/29/306589629.db2.gz ORBDDJJEHWYKLO-KRWDZBQOSA-N 2 0 337.508 1.855 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000341009334 142542036 /nfs/dbraw/zinc/54/20/36/142542036.db2.gz LTVHGELVHKSXHY-UHFFFAOYSA-N 2 0 335.496 1.801 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000345112334 143051906 /nfs/dbraw/zinc/05/19/06/143051906.db2.gz KTTPQKGQJWNUFH-HNNXBMFYSA-N 2 0 334.464 1.980 20 0 EDADRP CO[C@@H]1C[C@@H](C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345148597 143057654 /nfs/dbraw/zinc/05/76/54/143057654.db2.gz MPCVOJROBCBANU-ZWKOTPCHSA-N 2 0 326.529 1.053 20 0 EDADRP CC(C)[NH+](C)CC(=O)Nc1cccnc1CNC(=O)C[N@@H+](C)C(C)C ZINC000345472064 143095082 /nfs/dbraw/zinc/09/50/82/143095082.db2.gz PWSUZNWEIIRHBK-UHFFFAOYSA-N 2 0 349.479 1.317 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000345532170 143102722 /nfs/dbraw/zinc/10/27/22/143102722.db2.gz AVHIABAGKYLLOR-CHWSQXEVSA-N 2 0 332.448 1.658 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H]1[NH+](C)C ZINC000345612536 143112062 /nfs/dbraw/zinc/11/20/62/143112062.db2.gz PIQPMINKFWSNOE-DLBZAZTESA-N 2 0 345.491 1.002 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000345747950 143128419 /nfs/dbraw/zinc/12/84/19/143128419.db2.gz BQLIQYLXKNKTAV-HNNXBMFYSA-N 2 0 341.402 1.242 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CCC[N@@H+]1C ZINC000345788086 143133657 /nfs/dbraw/zinc/13/36/57/143133657.db2.gz QVVBHIXIXMOCMJ-RDJZCZTQSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCCO1 ZINC000346802965 143247062 /nfs/dbraw/zinc/24/70/62/143247062.db2.gz VEJVJTNUKLOCJM-RYQLBKOJSA-N 2 0 333.476 1.433 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347695527 143350815 /nfs/dbraw/zinc/35/08/15/143350815.db2.gz BQPYEKHQNYVZAX-IXDOHACOSA-N 2 0 325.497 1.439 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000348021199 143392191 /nfs/dbraw/zinc/39/21/91/143392191.db2.gz QVDJPMHKCUMXJS-HOTGVXAUSA-N 2 0 340.512 1.166 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000348028140 143393084 /nfs/dbraw/zinc/39/30/84/143393084.db2.gz QCVPIZNNLSTJBI-OKZBNKHCSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000341192770 143885656 /nfs/dbraw/zinc/88/56/56/143885656.db2.gz PVKVOTPLXWQJSZ-UHFFFAOYSA-N 2 0 329.444 1.946 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416845418 304351415 /nfs/dbraw/zinc/35/14/15/304351415.db2.gz RSAPHKYCVUMQFO-FGTMMUONSA-N 2 0 328.460 1.512 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000416857201 304352174 /nfs/dbraw/zinc/35/21/74/304352174.db2.gz YAJPICDQWTYWDK-DLBZAZTESA-N 2 0 346.475 1.869 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352699740 149120501 /nfs/dbraw/zinc/12/05/01/149120501.db2.gz DTLCICFCTKKHAU-GOSISDBHSA-N 2 0 326.448 1.055 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000352760045 149153214 /nfs/dbraw/zinc/15/32/14/149153214.db2.gz NNDMCKARBRPFGI-GOSISDBHSA-N 2 0 334.508 1.101 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000352778076 149162294 /nfs/dbraw/zinc/16/22/94/149162294.db2.gz FGNSROJDIQCGNE-DLBZAZTESA-N 2 0 345.491 1.145 20 0 EDADRP CSC[C@@H](O)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352887237 149204006 /nfs/dbraw/zinc/20/40/06/149204006.db2.gz RWGIPLCIAOZUEU-OALUTQOASA-N 2 0 349.544 1.602 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)[NH+]1CCOCC1 ZINC000416961523 304355492 /nfs/dbraw/zinc/35/54/92/304355492.db2.gz SIGSPVTXCYMVOJ-IRXDYDNUSA-N 2 0 342.528 1.796 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)[NH+]1CCOCC1 ZINC000416961911 304355935 /nfs/dbraw/zinc/35/59/35/304355935.db2.gz SWEDCEMZSSTADU-XIRDDKMYSA-N 2 0 340.512 1.421 20 0 EDADRP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CCN(CCO)CC1 ZINC000353353659 149376829 /nfs/dbraw/zinc/37/68/29/149376829.db2.gz NTDDRFYQPBIUBJ-UHFFFAOYSA-N 2 0 340.851 2.000 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000416970466 304357319 /nfs/dbraw/zinc/35/73/19/304357319.db2.gz ATENUDZRPXSVJY-GOSISDBHSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000416969702 304357519 /nfs/dbraw/zinc/35/75/19/304357519.db2.gz LDTNIMIIZPJBHP-HUUCEWRRSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000416972399 304358200 /nfs/dbraw/zinc/35/82/00/304358200.db2.gz RWFHBDCRTVTDHT-OAHLLOKOSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)N(CC[NH3+])CCO ZINC000416972084 304358297 /nfs/dbraw/zinc/35/82/97/304358297.db2.gz HUZONBGTNQIUDB-MRXNPFEDSA-N 2 0 348.491 1.524 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416973790 304358609 /nfs/dbraw/zinc/35/86/09/304358609.db2.gz VQTVEVVZNAKBKK-HOCLYGCPSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000416979012 304360078 /nfs/dbraw/zinc/36/00/78/304360078.db2.gz WNNILBWUVNWXJL-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP COCC1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262345548 292217178 /nfs/dbraw/zinc/21/71/78/292217178.db2.gz HTTZZGRXIDACLY-HOTGVXAUSA-N 2 0 339.524 1.875 20 0 EDADRP CNS(=O)(=O)CCC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354880710 150009358 /nfs/dbraw/zinc/00/93/58/150009358.db2.gz TXPGLRNWJJNJQT-UHFFFAOYSA-N 2 0 340.493 1.169 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000355068857 150101562 /nfs/dbraw/zinc/10/15/62/150101562.db2.gz BCYMQRMYFGSSNI-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000416984811 304361337 /nfs/dbraw/zinc/36/13/37/304361337.db2.gz PNNOABNXPMXWPW-QGZVFWFLSA-N 2 0 334.464 1.398 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)N2CCCO[C@H](C[NH3+])C2)CC1 ZINC000417029898 304362546 /nfs/dbraw/zinc/36/25/46/304362546.db2.gz OAORXAFEXSGYSV-MRXNPFEDSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000417044353 304365416 /nfs/dbraw/zinc/36/54/16/304365416.db2.gz XWBBXCPNAJZYMN-YJBOKZPZSA-N 2 0 330.476 1.814 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064197 304368337 /nfs/dbraw/zinc/36/83/37/304368337.db2.gz ABYKRWHITJELEE-VSZNYVQBSA-N 2 0 328.460 1.750 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1c1ccccc1 ZINC000417064200 304368374 /nfs/dbraw/zinc/36/83/74/304368374.db2.gz ABYKRWHITJELEE-XLAORIBOSA-N 2 0 328.460 1.750 20 0 EDADRP CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000357553898 151065989 /nfs/dbraw/zinc/06/59/89/151065989.db2.gz PTJZFZSTWGCAOE-GVDBMIGSSA-N 2 0 325.497 1.722 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000358066516 151255723 /nfs/dbraw/zinc/25/57/23/151255723.db2.gz OBMOZKGLPYSAAW-SFHVURJKSA-N 2 0 349.500 1.032 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000358125609 151280535 /nfs/dbraw/zinc/28/05/35/151280535.db2.gz AATOELIHFSAUSW-JKSUJKDBSA-N 2 0 340.512 1.610 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000358165734 151293300 /nfs/dbraw/zinc/29/33/00/151293300.db2.gz OMJHXJOYECRTIZ-JYJNAYRXSA-N 2 0 328.501 1.467 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000358499729 151396162 /nfs/dbraw/zinc/39/61/62/151396162.db2.gz LYRSKWHBGOJNMR-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360748576 152184392 /nfs/dbraw/zinc/18/43/92/152184392.db2.gz WZGQYPLGMXPOOV-IJEWVQPXSA-N 2 0 326.510 1.302 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000360896514 152244520 /nfs/dbraw/zinc/24/45/20/152244520.db2.gz RRMBOVDLTBBBAP-DLBZAZTESA-N 2 0 342.528 1.499 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361111019 152308877 /nfs/dbraw/zinc/30/88/77/152308877.db2.gz IPIMQIFIYLMDEH-MSOLQXFVSA-N 3 0 346.523 1.309 20 0 EDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000361237006 152342887 /nfs/dbraw/zinc/34/28/87/152342887.db2.gz HYOZFICEKWDEPV-ARFHVFGLSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000361286360 152353632 /nfs/dbraw/zinc/35/36/32/152353632.db2.gz CCZJRVHFQRKOTO-KRWDZBQOSA-N 2 0 340.512 1.663 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2c(cn1)OCCC2 ZINC000363697806 153033097 /nfs/dbraw/zinc/03/30/97/153033097.db2.gz IKWSVFGCCIBSCR-UHFFFAOYSA-N 2 0 346.475 1.505 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]1c1cccnc1 ZINC000364063953 153135435 /nfs/dbraw/zinc/13/54/35/153135435.db2.gz BDDZVAIBQHPNEW-ROUUACIJSA-N 2 0 332.492 1.917 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000364901027 153364653 /nfs/dbraw/zinc/36/46/53/153364653.db2.gz QVULWVNTPRXTDM-XUVXKRRUSA-N 2 0 347.503 1.839 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417242438 304387300 /nfs/dbraw/zinc/38/73/00/304387300.db2.gz UKPJHYNUGGCZFS-STQMWFEESA-N 2 0 332.439 1.793 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367625418 154203881 /nfs/dbraw/zinc/20/38/81/154203881.db2.gz XYVWPAUDOPJHJF-SQNIBIBYSA-N 2 0 330.476 1.881 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000367688048 154229886 /nfs/dbraw/zinc/22/98/86/154229886.db2.gz YPQGVUSTHGMWBW-MVJTYMMSSA-N 2 0 331.460 1.774 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000368379465 154531716 /nfs/dbraw/zinc/53/17/16/154531716.db2.gz UXBQYINCANGKRL-FUHWJXTLSA-N 2 0 331.460 1.841 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417356731 304394439 /nfs/dbraw/zinc/39/44/39/304394439.db2.gz FPVXLMNUHBODOL-UHFFFAOYSA-N 2 0 336.480 1.753 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]C[C@@H]2O)[NH+]2CCCC2)cc1 ZINC000417351327 304394095 /nfs/dbraw/zinc/39/40/95/304394095.db2.gz CEZZPNNXUNEEDG-SQNIBIBYSA-N 2 0 346.475 1.011 20 0 EDADRP O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369656508 155121985 /nfs/dbraw/zinc/12/19/85/155121985.db2.gz KMZTVMXLPDSGMF-WCIQWLHISA-N 2 0 330.472 1.980 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369658424 155122910 /nfs/dbraw/zinc/12/29/10/155122910.db2.gz DGBYYMUMSUJZQT-UOVPBQLFSA-N 2 0 332.492 1.596 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000369659520 155123240 /nfs/dbraw/zinc/12/32/40/155123240.db2.gz UORAJHNRFOKYIR-KRWDZBQOSA-N 2 0 340.512 1.472 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000371775373 156099432 /nfs/dbraw/zinc/09/94/32/156099432.db2.gz XXQNTRSFLNRGRR-OKYOBFRVSA-N 2 0 343.471 1.344 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCOCC3(CCCC3)C2)CC1 ZINC000372274712 156302078 /nfs/dbraw/zinc/30/20/78/156302078.db2.gz SBFWXZHXXPDPDM-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372430351 156386261 /nfs/dbraw/zinc/38/62/61/156386261.db2.gz DWVJLPDYQXSNAQ-DNVCBOLYSA-N 2 0 343.427 1.534 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523412 304402950 /nfs/dbraw/zinc/40/29/50/304402950.db2.gz HXAZZEMPMPDOEL-MAUKXSAKSA-N 2 0 348.491 1.467 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[C@H]1c1cccs1 ZINC000374591684 157339462 /nfs/dbraw/zinc/33/94/62/157339462.db2.gz HKUFPNRLHMDALM-KBMXLJTQSA-N 2 0 337.489 1.611 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2cnn(CCN3CCOCC3)c2)cc1 ZINC000378189688 158104367 /nfs/dbraw/zinc/10/43/67/158104367.db2.gz ZELWCCULVKPYPF-CQSZACIVSA-N 2 0 343.431 1.487 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378211246 158111169 /nfs/dbraw/zinc/11/11/69/158111169.db2.gz PHNIUMLCXYNOAT-YQQQUEKLSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)N[C@H]1CCCC[NH2+]C1 ZINC000417913642 304430477 /nfs/dbraw/zinc/43/04/77/304430477.db2.gz QGZUZEVCQMJBQA-BBWFWOEESA-N 2 0 338.496 1.196 20 0 EDADRP COc1cccc(NC(=O)CC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000352504008 162217919 /nfs/dbraw/zinc/21/79/19/162217919.db2.gz MCWJDQXJADAQGB-MRXNPFEDSA-N 2 0 332.448 1.003 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H]2CCCN(C(C)C)C2=O)C1 ZINC000361336692 162302210 /nfs/dbraw/zinc/30/22/10/162302210.db2.gz OBUDPFVHIILDJV-IRXDYDNUSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000349554847 287090731 /nfs/dbraw/zinc/09/07/31/287090731.db2.gz VINREEBEYKFJGR-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000075328987 287276540 /nfs/dbraw/zinc/27/65/40/287276540.db2.gz FJMLMYDKUHKOBY-FUHWJXTLSA-N 2 0 339.524 1.970 20 0 EDADRP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000451263390 287370053 /nfs/dbraw/zinc/37/00/53/287370053.db2.gz YXDSCLGZHMEHFC-XLAORIBOSA-N 2 0 328.497 1.189 20 0 EDADRP C[C@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C[NH+]1CCCC1 ZINC000121777344 221930553 /nfs/dbraw/zinc/93/05/53/221930553.db2.gz RBODDZQGWGBXON-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418402381 304492370 /nfs/dbraw/zinc/49/23/70/304492370.db2.gz ZGDFCSCLJHJLTN-RRQGHBQHSA-N 2 0 334.464 1.295 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000154439068 287644121 /nfs/dbraw/zinc/64/41/21/287644121.db2.gz XITVUVIUXLQNDN-INIZCTEOSA-N 2 0 343.479 1.341 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CN(CC(C)C)CCO1 ZINC000657824215 452551073 /nfs/dbraw/zinc/55/10/73/452551073.db2.gz DVYMAIHUPSTJLV-ROUUACIJSA-N 2 0 328.497 1.765 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000274726564 268192907 /nfs/dbraw/zinc/19/29/07/268192907.db2.gz CCYNHCIYFCOBLK-KRWDZBQOSA-N 2 0 335.448 1.207 20 0 EDADRP CCOC(=O)[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274817312 268213346 /nfs/dbraw/zinc/21/33/46/268213346.db2.gz JASQXGGCSIFCGY-SZVBFZGTSA-N 2 0 334.460 1.801 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275537132 268357184 /nfs/dbraw/zinc/35/71/84/268357184.db2.gz YBWDXQUAKCVWJZ-HNNXBMFYSA-N 2 0 348.491 1.576 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC1 ZINC000275800879 268374007 /nfs/dbraw/zinc/37/40/07/268374007.db2.gz CQIAGDPITKYAHI-UHFFFAOYSA-N 2 0 344.503 1.648 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274193825 273076411 /nfs/dbraw/zinc/07/64/11/273076411.db2.gz GJCYYZNQVRHUMX-ZHALLVOQSA-N 2 0 345.487 1.591 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCOC2=O)cc1 ZINC000104533407 272919591 /nfs/dbraw/zinc/91/95/91/272919591.db2.gz CLQMAAZULUJYEM-UHFFFAOYSA-N 2 0 348.447 1.209 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C[NH2+]C)CC3)cc2)CC1 ZINC000152262969 272927161 /nfs/dbraw/zinc/92/71/61/272927161.db2.gz ZQQMLIILJOOOHA-UHFFFAOYSA-N 2 0 344.503 1.900 20 0 EDADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957628 272934936 /nfs/dbraw/zinc/93/49/36/272934936.db2.gz DJRQWRMTGODFKX-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP O=C(NCCN1CCc2sccc2C1)NCC[N@H+]1CC=CCC1 ZINC000279871087 273335570 /nfs/dbraw/zinc/33/55/70/273335570.db2.gz JPTJHJCTKGOHHD-UHFFFAOYSA-N 2 0 334.489 1.667 20 0 EDADRP CC(C)(C)[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C(N)=O ZINC000283911970 274007884 /nfs/dbraw/zinc/00/78/84/274007884.db2.gz BWEYZAWNVKUTFC-DLBZAZTESA-N 2 0 333.476 1.767 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[NH+](CCOC)C2)c1 ZINC000265707971 276075593 /nfs/dbraw/zinc/07/55/93/276075593.db2.gz BGJAHGZEBXYJOB-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC[C@@H](C)[NH3+])CC1 ZINC000416993425 276196973 /nfs/dbraw/zinc/19/69/73/276196973.db2.gz QFFHAUGNTMDTEQ-MRXNPFEDSA-N 2 0 347.507 1.361 20 0 EDADRP C[C@H](C[NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000285875099 287878883 /nfs/dbraw/zinc/87/88/83/287878883.db2.gz BSFLHLSEFSEYME-SJORKVTESA-N 2 0 345.491 1.037 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000338569686 277048207 /nfs/dbraw/zinc/04/82/07/277048207.db2.gz LIOCZGYFGOGPJM-CVEARBPZSA-N 2 0 325.497 1.534 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000367604401 277170741 /nfs/dbraw/zinc/17/07/41/277170741.db2.gz BKJOBTKLLRGFCC-BZSNNMDCSA-N 2 0 344.507 1.061 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000362845392 277222969 /nfs/dbraw/zinc/22/29/69/277222969.db2.gz ZRZYIOYMMILBRL-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP COC[C@H](C)NC(=[NH2+])NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000369025882 277257945 /nfs/dbraw/zinc/25/79/45/277257945.db2.gz FYDRMKQESMEKMS-RDJZCZTQSA-N 2 0 333.480 1.124 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000286237372 287964414 /nfs/dbraw/zinc/96/44/14/287964414.db2.gz TVCKFKXSGCCLCE-LSDHHAIUSA-N 2 0 346.475 1.552 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])CC1 ZINC000417800111 277679475 /nfs/dbraw/zinc/67/94/75/277679475.db2.gz BXSDFARXVHQOKM-WBVHZDCISA-N 2 0 340.512 1.645 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000416832238 277933731 /nfs/dbraw/zinc/93/37/31/277933731.db2.gz VXDVEWOWVCHRMN-YOEHRIQHSA-N 2 0 334.464 1.726 20 0 EDADRP CC(CCN1CC[NH+]2CCC[C@@H]2C1)CCN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000411251898 278155922 /nfs/dbraw/zinc/15/59/22/278155922.db2.gz DKOBJXQIVLWZIX-WOJBJXKFSA-N 2 0 334.552 1.963 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352408692 278191945 /nfs/dbraw/zinc/19/19/45/278191945.db2.gz WFUVCBBSSVSTMJ-MRXNPFEDSA-N 2 0 327.476 1.813 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262861444 278305997 /nfs/dbraw/zinc/30/59/97/278305997.db2.gz UECHFCZYKUYVMG-RHSMWYFYSA-N 2 0 346.475 1.128 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000364200262 278434908 /nfs/dbraw/zinc/43/49/08/278434908.db2.gz HVXFGPDIASYDBJ-FCEWJHQRSA-N 2 0 337.508 1.901 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000458936265 278980382 /nfs/dbraw/zinc/98/03/82/278980382.db2.gz MZNSMEVPZAOUFX-DOTOQJQBSA-N 2 0 328.501 1.109 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433465155 279038499 /nfs/dbraw/zinc/03/84/99/279038499.db2.gz ZLAWHLCFAKIABD-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000369814802 279097374 /nfs/dbraw/zinc/09/73/74/279097374.db2.gz TXJZHSNVKHROLG-UHFFFAOYSA-N 2 0 328.501 1.207 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261689783 279102438 /nfs/dbraw/zinc/10/24/38/279102438.db2.gz HLETUYOWYKTIPG-OLZOCXBDSA-N 2 0 339.402 1.616 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000418434372 279109664 /nfs/dbraw/zinc/10/96/64/279109664.db2.gz VQMIAIQGYJVJIK-BBWFWOEESA-N 2 0 340.512 1.646 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)NCCOCC[NH+](C)C ZINC000355359155 279187544 /nfs/dbraw/zinc/18/75/44/279187544.db2.gz YUTQWHHZZYRTJW-UHFFFAOYSA-N 2 0 328.501 1.472 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258525 279233118 /nfs/dbraw/zinc/23/31/18/279233118.db2.gz WKXQIBMRBIOYMM-TWMKSMIVSA-N 2 0 336.524 1.532 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417992843 279282296 /nfs/dbraw/zinc/28/22/96/279282296.db2.gz WZFWBOSGGCQSRP-BPQIPLTHSA-N 2 0 330.476 1.758 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348126973 279362564 /nfs/dbraw/zinc/36/25/64/279362564.db2.gz ROOSEWGXLMAWJC-RBSFLKMASA-N 2 0 337.430 1.960 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000353779724 279370439 /nfs/dbraw/zinc/37/04/39/279370439.db2.gz RBRGIKRHKPYFLV-MSOLQXFVSA-N 2 0 346.519 1.649 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)C2)CC1 ZINC000360137168 279370997 /nfs/dbraw/zinc/37/09/97/279370997.db2.gz RYULSCMFVKRWMT-IRXDYDNUSA-N 2 0 339.528 1.137 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422900908 279395893 /nfs/dbraw/zinc/39/58/93/279395893.db2.gz KHNGXKFBCATKGJ-WBVHZDCISA-N 2 0 339.505 1.933 20 0 EDADRP CCOC1CC([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000286983871 288130772 /nfs/dbraw/zinc/13/07/72/288130772.db2.gz OXXXIQYHRLFEAI-ABHNRTSZSA-N 2 0 333.476 1.905 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)CC2)C[C@H](C)O1 ZINC000261891206 288152160 /nfs/dbraw/zinc/15/21/60/288152160.db2.gz CFBGXGLQHAYTGQ-SOLBZPMBSA-N 2 0 349.519 1.724 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCN3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000368005042 288156886 /nfs/dbraw/zinc/15/68/86/288156886.db2.gz GZBSGABEUGPYPC-HZPDHXFCSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114312 288163142 /nfs/dbraw/zinc/16/31/42/288163142.db2.gz LNXPNDJFZUMLSA-GDBMZVCRSA-N 2 0 326.485 1.304 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000262657033 279827296 /nfs/dbraw/zinc/82/72/96/279827296.db2.gz DGDWCYGNYUXFST-ONIAQPFYSA-N 2 0 335.492 1.524 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000287258811 288193571 /nfs/dbraw/zinc/19/35/71/288193571.db2.gz UKQVDIYPXUVWQB-QGZVFWFLSA-N 2 0 334.464 1.691 20 0 EDADRP CC[C@@H](C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C)[NH+](CC)CC ZINC000353777419 280075658 /nfs/dbraw/zinc/07/56/58/280075658.db2.gz CWUOECLVOUPYST-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000372098707 280390666 /nfs/dbraw/zinc/39/06/66/280390666.db2.gz MREKRBZYKSKVJP-JKSUJKDBSA-N 2 0 348.491 1.330 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000356087694 282024259 /nfs/dbraw/zinc/02/42/59/282024259.db2.gz IJTKUSSSGWAQEA-CQSZACIVSA-N 2 0 341.496 1.544 20 0 EDADRP CO[C@H](C[NH3+])C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000290267251 288869031 /nfs/dbraw/zinc/86/90/31/288869031.db2.gz YDCQPUINSYSXNJ-QGZVFWFLSA-N 2 0 332.448 1.131 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291180861 289013858 /nfs/dbraw/zinc/01/38/58/289013858.db2.gz HHJKSPXDAXLMLV-UHFFFAOYSA-N 2 0 337.468 1.163 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000356623356 289131402 /nfs/dbraw/zinc/13/14/02/289131402.db2.gz RRBJOPCOGMDXCY-QGZVFWFLSA-N 2 0 326.529 1.593 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000291682667 289149336 /nfs/dbraw/zinc/14/93/36/289149336.db2.gz RLBJKGMUQDSGQB-IBGZPJMESA-N 2 0 330.476 1.985 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333769648 289266125 /nfs/dbraw/zinc/26/61/25/289266125.db2.gz FDMDSRDSRWPUFO-BPQIPLTHSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@@H](C)O1 ZINC000373860606 296993926 /nfs/dbraw/zinc/99/39/26/296993926.db2.gz UGQLOSBUTMYCBS-QQTQMKHKSA-N 2 0 349.519 1.724 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000417007407 293290103 /nfs/dbraw/zinc/29/01/03/293290103.db2.gz HLIZNTWIZCKYJQ-FUHWJXTLSA-N 2 0 340.512 1.565 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1 ZINC000333684935 295224392 /nfs/dbraw/zinc/22/43/92/295224392.db2.gz PEKZXAAPNBJVTI-KNCCTNLNSA-N 2 0 346.475 1.533 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418537864 304509656 /nfs/dbraw/zinc/50/96/56/304509656.db2.gz DBXPRMWEAKTVAI-OAHLLOKOSA-N 2 0 326.485 1.258 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC(CC[NH+](C)C)CC2)CCC[NH2+]1 ZINC000418653535 304525948 /nfs/dbraw/zinc/52/59/48/304525948.db2.gz KRTXAUDVWDGZSU-QGZVFWFLSA-N 2 0 326.485 1.128 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)Nc3cccc(C[NH+](C)C)c3)C[C@H]2[NH3+])cn1 ZINC000623072619 450391757 /nfs/dbraw/zinc/39/17/57/450391757.db2.gz JDIXZBPCGXBFEO-DLBZAZTESA-N 2 0 342.447 1.440 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000418782198 304530818 /nfs/dbraw/zinc/53/08/18/304530818.db2.gz DRIKEFPNRZBYTI-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C(C)(C)C ZINC000419138290 304569476 /nfs/dbraw/zinc/56/94/76/304569476.db2.gz SFJMMROTPSUZID-GJZGRUSLSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333573911 298948581 /nfs/dbraw/zinc/94/85/81/298948581.db2.gz SHICWSQCVJOLRC-RWBCNSPNSA-N 2 0 334.508 1.909 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000651197109 453351744 /nfs/dbraw/zinc/35/17/44/453351744.db2.gz WEHMOVZGTHRRIT-HOTGVXAUSA-N 2 0 328.501 1.061 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1ccccc1 ZINC000295848748 303275102 /nfs/dbraw/zinc/27/51/02/303275102.db2.gz DGHGLZISCQALAK-QFHJOOASSA-N 2 0 345.487 1.809 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000296335666 303310454 /nfs/dbraw/zinc/31/04/54/303310454.db2.gz IBLPGNADIVWBAZ-VQIMIIECSA-N 2 0 344.503 1.622 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)N1CCO[C@H]2CCCC[C@@H]21)CC1CCCC1 ZINC000352508007 303376072 /nfs/dbraw/zinc/37/60/72/303376072.db2.gz GBJSVFJHLQRZEY-ROUUACIJSA-N 2 0 337.508 1.997 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000333416325 303455865 /nfs/dbraw/zinc/45/58/65/303455865.db2.gz RXRDECQELVVWGY-HSFUPAIVSA-N 2 0 335.492 1.652 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414859331 447331644 /nfs/dbraw/zinc/33/16/44/447331644.db2.gz MKBNCTIOEQPTJI-CQSZACIVSA-N 2 0 346.475 1.883 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000419670524 447335008 /nfs/dbraw/zinc/33/50/08/447335008.db2.gz WVSGJIQGPGWASF-HZPDHXFCSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)CC[NH3+])cn2)CC1 ZINC000422595110 304873493 /nfs/dbraw/zinc/87/34/93/304873493.db2.gz UKADLTKTNCDCAN-UHFFFAOYSA-N 2 0 348.495 1.150 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCO[C@@H](CC)C2)CC[NH2+]CC1 ZINC000423086886 304885257 /nfs/dbraw/zinc/88/52/57/304885257.db2.gz MVNYDTCXVJMXTH-CVEARBPZSA-N 2 0 341.496 1.008 20 0 EDADRP CNC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000423107612 304886527 /nfs/dbraw/zinc/88/65/27/304886527.db2.gz LDODLLTTYAXICL-KZNAEPCWSA-N 2 0 331.460 1.822 20 0 EDADRP C[C@H]([NH2+]CCCC[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423334446 304893041 /nfs/dbraw/zinc/89/30/41/304893041.db2.gz OVVSOIVFAUNSHF-AWEZNQCLSA-N 2 0 341.477 1.097 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H]([NH2+]C4CC4)C3)ccc21 ZINC000423812622 304909570 /nfs/dbraw/zinc/90/95/70/304909570.db2.gz DBTBVMXGXSZSQP-KRWDZBQOSA-N 2 0 326.444 1.957 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000424085202 304928136 /nfs/dbraw/zinc/92/81/36/304928136.db2.gz ZFCDXMNPVFVQDW-BBRMVZONSA-N 2 0 341.459 1.837 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2(C)CC[NH+](C)CC2)c1 ZINC000424456699 304930312 /nfs/dbraw/zinc/93/03/12/304930312.db2.gz QEHZDACBKJBHBE-UHFFFAOYSA-N 2 0 332.448 1.240 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000424461755 304930991 /nfs/dbraw/zinc/93/09/91/304930991.db2.gz DESQZJKRHSEPJN-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000414895852 447347401 /nfs/dbraw/zinc/34/74/01/447347401.db2.gz NNNXBBVIIMSLOV-KBPBESRZSA-N 2 0 337.464 1.768 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000427316063 304988451 /nfs/dbraw/zinc/98/84/51/304988451.db2.gz WXXLBNBAYUAABA-TVFCKZIOSA-N 2 0 337.508 1.866 20 0 EDADRP CCC1(CC)[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC000429288530 305027808 /nfs/dbraw/zinc/02/78/08/305027808.db2.gz WLQHXAVOVQJCJH-SJORKVTESA-N 2 0 337.508 1.913 20 0 EDADRP CC(C)[C@](C)(C[NH3+])[NH2+]CCOc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000430569542 305056377 /nfs/dbraw/zinc/05/63/77/305056377.db2.gz LOSFJPKJMRDFCD-INIZCTEOSA-N 2 0 343.493 1.279 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000430590231 305057551 /nfs/dbraw/zinc/05/75/51/305057551.db2.gz BZGIXTFJSXOMCU-SFHVURJKSA-N 2 0 346.475 1.054 20 0 EDADRP [NH3+]C1CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000430625629 305060018 /nfs/dbraw/zinc/06/00/18/305060018.db2.gz QVWDXYQVAGWMDR-UHFFFAOYSA-N 2 0 330.432 1.565 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C[NH3+])CC1 ZINC000430633551 305060404 /nfs/dbraw/zinc/06/04/04/305060404.db2.gz CAHNOPKTHHNEIH-DZGCQCFKSA-N 2 0 333.432 1.002 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430680318 305062188 /nfs/dbraw/zinc/06/21/88/305062188.db2.gz ONUNEFSRLUPRFU-AZUAARDMSA-N 2 0 345.487 1.783 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([NH+]3CCC([C@H](C)[NH3+])CC3)C2=O)c1 ZINC000430923390 305068395 /nfs/dbraw/zinc/06/83/95/305068395.db2.gz DJWNYJUTLUYGSW-SCLBCKFNSA-N 2 0 347.459 1.868 20 0 EDADRP COc1ccc(CCNC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430926893 305068625 /nfs/dbraw/zinc/06/86/25/305068625.db2.gz PIBPBPOVHNHIFV-AWEZNQCLSA-N 2 0 349.475 1.422 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000430943886 305069791 /nfs/dbraw/zinc/06/97/91/305069791.db2.gz QRCAADBWUZKHDN-RYUDHWBXSA-N 2 0 336.411 1.922 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)NCc1ccccc1 ZINC000433115080 305100781 /nfs/dbraw/zinc/10/07/81/305100781.db2.gz IZHSNXWTMJSNSN-HNNXBMFYSA-N 2 0 346.475 1.011 20 0 EDADRP CC(C)[C@@H]1OCCC[C@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433114747 305100788 /nfs/dbraw/zinc/10/07/88/305100788.db2.gz HTUCQQYVFLRIJU-YJBOKZPZSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)n1cc2c(n1)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433125059 305101136 /nfs/dbraw/zinc/10/11/36/305101136.db2.gz IBEDYHDHOFSXCT-KRWDZBQOSA-N 2 0 347.507 1.641 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)CC1 ZINC000434696260 305128032 /nfs/dbraw/zinc/12/80/32/305128032.db2.gz XXOXYLMGEZVYJD-UHFFFAOYSA-N 2 0 342.447 1.989 20 0 EDADRP COc1ccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000436060477 305151842 /nfs/dbraw/zinc/15/18/42/305151842.db2.gz FATCGBGEKXMINY-OAHLLOKOSA-N 2 0 335.448 1.394 20 0 EDADRP CC[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)C1(C(=O)OC)CCC1 ZINC000442889884 305230430 /nfs/dbraw/zinc/23/04/30/305230430.db2.gz MFGMNWCJAJTEKL-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000444030425 305242908 /nfs/dbraw/zinc/24/29/08/305242908.db2.gz KZKHYQFLSPBPBG-BRWVUGGUSA-N 2 0 338.540 1.732 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)CCCCC2)CCO1 ZINC000446362785 305263761 /nfs/dbraw/zinc/26/37/61/305263761.db2.gz KNXOLHDWQMYDCK-LSDHHAIUSA-N 2 0 341.471 1.616 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448248526 305294441 /nfs/dbraw/zinc/29/44/41/305294441.db2.gz JYHMEQPXLLCFGT-HNNXBMFYSA-N 2 0 330.542 1.655 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000449346022 305312020 /nfs/dbraw/zinc/31/20/20/305312020.db2.gz LGFWNVPXSOXOEV-IEBWSBKVSA-N 2 0 344.503 1.118 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000449730137 305318243 /nfs/dbraw/zinc/31/82/43/305318243.db2.gz PPAQKDKSEYUEFE-CYBMUJFWSA-N 2 0 333.354 1.637 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489766477 305565918 /nfs/dbraw/zinc/56/59/18/305565918.db2.gz PSVJAJSOYYFFFT-BRWVUGGUSA-N 2 0 340.512 1.251 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911112 305653907 /nfs/dbraw/zinc/65/39/07/305653907.db2.gz KOAIPXLATYULLQ-FUHWJXTLSA-N 2 0 336.480 1.277 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425902888 447354632 /nfs/dbraw/zinc/35/46/32/447354632.db2.gz UNYDEEHCPJPNMW-OAHLLOKOSA-N 2 0 335.496 1.257 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc3n[nH]cc3c2)CC1 ZINC000514587278 305699627 /nfs/dbraw/zinc/69/96/27/305699627.db2.gz QTMYJDWIIIDGBK-CYBMUJFWSA-N 2 0 329.448 1.814 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CCCC1 ZINC000419696284 447355695 /nfs/dbraw/zinc/35/56/95/447355695.db2.gz OGHRZWGNQFLJDS-INIZCTEOSA-N 2 0 338.496 1.001 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000520681325 305781939 /nfs/dbraw/zinc/78/19/39/305781939.db2.gz MSJGJQIBLQODTB-UHFFFAOYSA-N 3 0 341.544 1.243 20 0 EDADRP CC(C)CO[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523310836 305808770 /nfs/dbraw/zinc/80/87/70/305808770.db2.gz LHGIHMOGTZKRFP-QGZVFWFLSA-N 2 0 348.491 1.771 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000414933300 447361904 /nfs/dbraw/zinc/36/19/04/447361904.db2.gz DOLHKWBHKWBKLZ-JSGCOSHPSA-N 2 0 330.432 1.086 20 0 EDADRP C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000419707772 447362858 /nfs/dbraw/zinc/36/28/58/447362858.db2.gz FZRBSSHOCOCMKL-UONOGXRCSA-N 2 0 341.459 1.942 20 0 EDADRP C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000419707771 447363101 /nfs/dbraw/zinc/36/31/01/447363101.db2.gz FZRBSSHOCOCMKL-KGLIPLIRSA-N 2 0 341.459 1.942 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000530238371 305935403 /nfs/dbraw/zinc/93/54/03/305935403.db2.gz MPBGWVWOCVVEEI-SOLBZPMBSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000535726452 306015251 /nfs/dbraw/zinc/01/52/51/306015251.db2.gz BKZVQAGEICKFOV-HZPDHXFCSA-N 2 0 342.528 1.715 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1)[C@@H]1CCSC1 ZINC000536543184 306022097 /nfs/dbraw/zinc/02/20/97/306022097.db2.gz WGPGCGUKIJOTRG-BZUAXINKSA-N 2 0 341.521 1.183 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NCC3(C)CC[NH+](C)CC3)n2)CC1 ZINC000541892559 306049067 /nfs/dbraw/zinc/04/90/67/306049067.db2.gz GPDIQJZLRVRAOT-UHFFFAOYSA-N 2 0 345.491 1.295 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000544667232 306077689 /nfs/dbraw/zinc/07/76/89/306077689.db2.gz XPXBNFYCVCPBCS-DLBZAZTESA-N 2 0 342.528 1.717 20 0 EDADRP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000547296108 306097873 /nfs/dbraw/zinc/09/78/73/306097873.db2.gz AYXYCPNGIOYABK-RLFYNMQTSA-N 2 0 338.496 1.005 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000557040571 306223353 /nfs/dbraw/zinc/22/33/53/306223353.db2.gz WJYNOGDUBNHOSZ-CQSZACIVSA-N 2 0 331.464 1.894 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000414957116 447373478 /nfs/dbraw/zinc/37/34/78/447373478.db2.gz PQZAOQPCWFYCAC-CYBMUJFWSA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000456379673 447381609 /nfs/dbraw/zinc/38/16/09/447381609.db2.gz MYYBKDOJWLIIMG-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977390 447381909 /nfs/dbraw/zinc/38/19/09/447381909.db2.gz RLDFMIKPVKKXGK-TUVASFSCSA-N 2 0 334.430 1.333 20 0 EDADRP Cc1ccn2c(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)cnc2c1 ZINC000414985677 447384881 /nfs/dbraw/zinc/38/48/81/447384881.db2.gz NICFFJBXJIGUNM-AWEZNQCLSA-N 2 0 341.381 1.568 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419765626 447401132 /nfs/dbraw/zinc/40/11/32/447401132.db2.gz QMFQIDAPQDBSJR-CQSZACIVSA-N 2 0 334.464 1.171 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000665553703 453744931 /nfs/dbraw/zinc/74/49/31/453744931.db2.gz ZHZCVCVSYVUIGE-HUUCEWRRSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1cc(NC(=O)CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)on1 ZINC000378369394 447422165 /nfs/dbraw/zinc/42/21/65/447422165.db2.gz KNOCXYZNOWDPQG-CQSZACIVSA-N 2 0 335.452 1.022 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cc2ccccc2[nH]c1=O ZINC000104533455 441197618 /nfs/dbraw/zinc/19/76/18/441197618.db2.gz BUABKHDANGVNQR-UHFFFAOYSA-N 2 0 344.459 1.022 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)CC1 ZINC000072829345 441264006 /nfs/dbraw/zinc/26/40/06/441264006.db2.gz PEQBDUMYRMANDN-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(=O)NCc2ccco2)cc1 ZINC000048710472 441326532 /nfs/dbraw/zinc/32/65/32/441326532.db2.gz FSCYAHORAGMIEG-UHFFFAOYSA-N 2 0 331.416 1.626 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073639291 441336749 /nfs/dbraw/zinc/33/67/49/441336749.db2.gz XDIRRKYIPTZTKV-KRWDZBQOSA-N 2 0 346.519 1.894 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073643872 441337952 /nfs/dbraw/zinc/33/79/52/441337952.db2.gz MAWYNLYAHXQUSB-QGZVFWFLSA-N 2 0 332.492 1.655 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000106518016 441349587 /nfs/dbraw/zinc/34/95/87/441349587.db2.gz GOJGIERGKLLOKU-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2ccccc2n1 ZINC000052819124 441476188 /nfs/dbraw/zinc/47/61/88/441476188.db2.gz BTXVHONIKOOVGE-UHFFFAOYSA-N 2 0 343.475 1.975 20 0 EDADRP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000090885013 441645656 /nfs/dbraw/zinc/64/56/56/441645656.db2.gz HMYGAWUOXCDOSR-KBXCAEBGSA-N 2 0 332.448 1.745 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076601947 441663960 /nfs/dbraw/zinc/66/39/60/441663960.db2.gz TZMFTDZOMTVDKL-HNNXBMFYSA-N 2 0 348.491 1.576 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCCCC1 ZINC000136544310 441704004 /nfs/dbraw/zinc/70/40/04/441704004.db2.gz KWPOYPZDJOFUNL-MRXNPFEDSA-N 2 0 348.491 1.874 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000137193468 441755298 /nfs/dbraw/zinc/75/52/98/441755298.db2.gz JTZSYPHLVDJIQV-HNNXBMFYSA-N 2 0 337.533 1.854 20 0 EDADRP CC[C@@H](C)[C@@H](NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)C(=O)OC ZINC000056524348 441722712 /nfs/dbraw/zinc/72/27/12/441722712.db2.gz ITJGTYMRUSXVPQ-RHSMWYFYSA-N 2 0 341.496 1.354 20 0 EDADRP CCCNC(=O)CN1CCC(NC(=O)Nc2ccncc2C)CC1 ZINC000121770683 441777557 /nfs/dbraw/zinc/77/75/57/441777557.db2.gz WDQSDHJTDMAGLK-UHFFFAOYSA-N 2 0 333.436 1.502 20 0 EDADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(Cl)c1OC ZINC000077450489 441783311 /nfs/dbraw/zinc/78/33/11/441783311.db2.gz ZWAYZVQGIRSYBG-UHFFFAOYSA-N 2 0 328.840 1.904 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159068456 441786085 /nfs/dbraw/zinc/78/60/85/441786085.db2.gz ASEUCDGHQDZXMA-HDICACEKSA-N 2 0 342.487 1.552 20 0 EDADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000159207054 441794451 /nfs/dbraw/zinc/79/44/51/441794451.db2.gz ZVDXTXUXURTQOP-OAHLLOKOSA-N 2 0 344.463 1.814 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124459705 441929154 /nfs/dbraw/zinc/92/91/54/441929154.db2.gz QZGIRONEBFKKCO-YVWKXTFCSA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]cnc2c1 ZINC000119934163 441978493 /nfs/dbraw/zinc/97/84/93/441978493.db2.gz JBVDFKDDCBZXPF-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000151139572 442012995 /nfs/dbraw/zinc/01/29/95/442012995.db2.gz PKQYDIXQEWPQOC-GJZGRUSLSA-N 2 0 339.505 1.977 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000175230669 442023059 /nfs/dbraw/zinc/02/30/59/442023059.db2.gz XMGCHXNFXLZVEX-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]CCCNS(C)(=O)=O)C1 ZINC000151432827 442061139 /nfs/dbraw/zinc/06/11/39/442061139.db2.gz QNEIFQJADVUBFH-ZBFHGGJFSA-N 2 0 325.478 1.351 20 0 EDADRP Cc1cc2ncc([C@H](C)[NH2+]CCCN3CC[NH+](C)CC3)c(C)n2n1 ZINC000120417401 442067768 /nfs/dbraw/zinc/06/77/68/442067768.db2.gz FDQKNFHIIAICTN-HNNXBMFYSA-N 2 0 330.480 1.634 20 0 EDADRP COCC[NH+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000126050626 442072480 /nfs/dbraw/zinc/07/24/80/442072480.db2.gz JINKUQHPFPCOQW-UHFFFAOYSA-N 2 0 347.503 1.925 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000126419908 442110768 /nfs/dbraw/zinc/11/07/68/442110768.db2.gz HUWKUUIEOZWPBT-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000176060269 442168541 /nfs/dbraw/zinc/16/85/41/442168541.db2.gz QTIWEGNLOSBDJM-UHFFFAOYSA-N 2 0 346.475 1.548 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000164609323 442199875 /nfs/dbraw/zinc/19/98/75/442199875.db2.gz YRHBBWXPFMWQJI-SFHVURJKSA-N 2 0 327.428 1.943 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000127427507 442201605 /nfs/dbraw/zinc/20/16/05/442201605.db2.gz SVAOZBUEILMTCL-NVXWUHKLSA-N 2 0 345.491 1.388 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000152905436 442250919 /nfs/dbraw/zinc/25/09/19/442250919.db2.gz YIOXWIQPVHXHEV-SFHVURJKSA-N 2 0 344.503 1.927 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152476138 442217785 /nfs/dbraw/zinc/21/77/85/442217785.db2.gz GEBSKKDUMAJSRD-UONOGXRCSA-N 2 0 337.489 1.730 20 0 EDADRP CCOC(=O)C1CCN(C(=O)CN(C)CCC[NH+]2CCCC2)CC1 ZINC000153454975 442283741 /nfs/dbraw/zinc/28/37/41/442283741.db2.gz OAECMEWCAYKRRJ-UHFFFAOYSA-N 2 0 339.480 1.206 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000129623401 442325934 /nfs/dbraw/zinc/32/59/34/442325934.db2.gz TYFJHYTWDGAMHH-BBWFWOEESA-N 2 0 338.540 1.638 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000154264687 442329324 /nfs/dbraw/zinc/32/93/24/442329324.db2.gz ZSMHRGDXDSJALQ-UXPWSPDFSA-N 2 0 347.503 1.998 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[NH+](C)C ZINC000154397970 442337112 /nfs/dbraw/zinc/33/71/12/442337112.db2.gz ORHMLFJGNQOKET-UJJTZGENSA-N 2 0 336.524 1.342 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H](C)C2(C)CC2)C1 ZINC000177236084 442318084 /nfs/dbraw/zinc/31/80/84/442318084.db2.gz MTPWRQUZPIZNFN-JKSUJKDBSA-N 2 0 325.497 1.580 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CCn3ccnc3C2)[NH+](C)C)c1 ZINC000155785360 442427419 /nfs/dbraw/zinc/42/74/19/442427419.db2.gz JWWAHAKNLREXPT-RDJZCZTQSA-N 2 0 342.443 1.873 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3cccc(C[NH+](C)C)c3)C2)CC1 ZINC000156287201 442463269 /nfs/dbraw/zinc/46/32/69/442463269.db2.gz HGJMCJGBJRWEQR-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CCC[NH+]3CCCC3)CC2)C1 ZINC000179188362 442594048 /nfs/dbraw/zinc/59/40/48/442594048.db2.gz NXGLSGJRWQPEEK-LJQANCHMSA-N 2 0 338.540 1.199 20 0 EDADRP CC[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000180746234 442654204 /nfs/dbraw/zinc/65/42/04/442654204.db2.gz KUSPLACKWHCUJR-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CO[C@@H]1CC[C@@H]2OCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000192778283 442685668 /nfs/dbraw/zinc/68/56/68/442685668.db2.gz BWIDXPNZKRFLRZ-QYZOEREBSA-N 2 0 339.524 1.671 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)[NH+]1CCCC1 ZINC000187886844 442696751 /nfs/dbraw/zinc/69/67/51/442696751.db2.gz ZTMIMGQFHXTIQR-USXIJHARSA-N 2 0 347.459 1.325 20 0 EDADRP C[C@]([NH3+])(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000192534968 442659853 /nfs/dbraw/zinc/65/98/53/442659853.db2.gz RSZCYIVAXJHAFQ-DNVCBOLYSA-N 2 0 331.460 1.478 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2ccncc12 ZINC000193053433 442708634 /nfs/dbraw/zinc/70/86/34/442708634.db2.gz PZUYCCFAGZNJMK-HNNXBMFYSA-N 2 0 344.463 1.217 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)cc1 ZINC000188742635 442801523 /nfs/dbraw/zinc/80/15/23/442801523.db2.gz OZOMHIGDCSBLDY-FUHWJXTLSA-N 2 0 349.450 1.723 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@H]1O ZINC000246472887 442784211 /nfs/dbraw/zinc/78/42/11/442784211.db2.gz JLYZWCSZJBGSSY-XLAORIBOSA-N 2 0 328.497 1.189 20 0 EDADRP Cc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c(OCC[NH+](C)C)c1 ZINC000188776273 442810244 /nfs/dbraw/zinc/81/02/44/442810244.db2.gz KCYNESQLEYKQEK-UHFFFAOYSA-N 2 0 343.431 1.557 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247136368 442836930 /nfs/dbraw/zinc/83/69/30/442836930.db2.gz SPCGUFCZLPBBBH-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194142993 442851361 /nfs/dbraw/zinc/85/13/61/442851361.db2.gz FLWBKJWORSLWJZ-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP CC[C@@H]1CN([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000249065408 442948469 /nfs/dbraw/zinc/94/84/69/442948469.db2.gz UKCYKVZALYDPCJ-NZSAHSFTSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@H](NS(=O)(=O)CC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189809807 443015040 /nfs/dbraw/zinc/01/50/40/443015040.db2.gz GNCOOZDMWNZHGE-HOTGVXAUSA-N 2 0 343.537 1.655 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000296589472 318709839 /nfs/dbraw/zinc/70/98/39/318709839.db2.gz XMXRNVCFXLXBOS-MRXNPFEDSA-N 2 0 330.476 1.455 20 0 EDADRP C[C@@H]1CSCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000190143465 443063124 /nfs/dbraw/zinc/06/31/24/443063124.db2.gz DLZCDSGEQKPYON-AWEZNQCLSA-N 2 0 328.526 1.407 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000190150209 443063551 /nfs/dbraw/zinc/06/35/51/443063551.db2.gz LAENPHWRFTXDQJ-MRXNPFEDSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236674332 443142926 /nfs/dbraw/zinc/14/29/26/443142926.db2.gz BFIOYOSMYXRJDM-ROUUACIJSA-N 2 0 345.487 1.564 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CCCCCC[NH3+])C[C@H](C)O1 ZINC000237675638 443179906 /nfs/dbraw/zinc/17/99/06/443179906.db2.gz TUZBPVCVCWVLHL-IXDOHACOSA-N 2 0 325.497 1.996 20 0 EDADRP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000262027187 443180143 /nfs/dbraw/zinc/18/01/43/443180143.db2.gz ZZUCEAMTAOBOGZ-WDBKCZKBSA-N 2 0 340.265 1.819 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cc12 ZINC000237168064 443162526 /nfs/dbraw/zinc/16/25/26/443162526.db2.gz KHKGBBXIGCJSOV-UHFFFAOYSA-N 2 0 330.480 1.392 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262513140 443198963 /nfs/dbraw/zinc/19/89/63/443198963.db2.gz DXCOVOLGVSLOPG-XYJFISCASA-N 2 0 332.492 1.465 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262705332 443208256 /nfs/dbraw/zinc/20/82/56/443208256.db2.gz DARFXJZABQYPJO-INIZCTEOSA-N 2 0 333.480 1.658 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000387536485 319131909 /nfs/dbraw/zinc/13/19/09/319131909.db2.gz LGKPXLYUSLPQSR-HZPDHXFCSA-N 2 0 326.529 1.399 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000411240736 319173102 /nfs/dbraw/zinc/17/31/02/319173102.db2.gz IBNRKFGXRPXUNR-HNNXBMFYSA-N 2 0 348.491 1.842 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@@H]2CCCSC2)CC1 ZINC000411763783 319201314 /nfs/dbraw/zinc/20/13/14/319201314.db2.gz ZCYGOPQBMTTZPO-MRXNPFEDSA-N 2 0 343.537 1.431 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccccc3C2)(N2CCOCC2)CC1 ZINC000414204402 319319708 /nfs/dbraw/zinc/31/97/08/319319708.db2.gz WHVJYVDIDXJLLS-FQEVSTJZSA-N 2 0 343.515 1.930 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)cc1 ZINC000414681190 319341264 /nfs/dbraw/zinc/34/12/64/319341264.db2.gz ZYZDBQLAXQJXFG-UHFFFAOYSA-N 2 0 334.464 1.580 20 0 EDADRP CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1F ZINC000414993748 319344419 /nfs/dbraw/zinc/34/44/19/319344419.db2.gz UCBZKOATLFDUJQ-APWZRJJASA-N 2 0 349.450 1.961 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000415900902 319382750 /nfs/dbraw/zinc/38/27/50/319382750.db2.gz MLLQTSZKEUBFBQ-SFHVURJKSA-N 2 0 347.507 1.800 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000416172822 319398117 /nfs/dbraw/zinc/39/81/17/319398117.db2.gz YNKYNJXYGOLKAG-IEBWSBKVSA-N 2 0 345.487 1.860 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000185874891 443274111 /nfs/dbraw/zinc/27/41/11/443274111.db2.gz FKXBKMZRLKKPNU-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269315148 443279223 /nfs/dbraw/zinc/27/92/23/443279223.db2.gz ZBVRCWJTRLJLDP-LJQANCHMSA-N 2 0 346.519 1.684 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269274988 443262596 /nfs/dbraw/zinc/26/25/96/443262596.db2.gz WATHQLFIWIUXBO-BHIYHBOVSA-N 2 0 345.487 1.924 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)C[C@@H](C)O1 ZINC000246099723 443267405 /nfs/dbraw/zinc/26/74/05/443267405.db2.gz HCPIEDQFMKZPOA-QBPKDAKJSA-N 2 0 340.512 1.610 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000416827828 319464594 /nfs/dbraw/zinc/46/45/94/319464594.db2.gz NXWAFHMTDXQGMJ-TZMCWYRMSA-N 2 0 338.452 1.201 20 0 EDADRP Cc1ccccc1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000267029132 443318136 /nfs/dbraw/zinc/31/81/36/443318136.db2.gz KZUIHGHFZOPHPQ-UHFFFAOYSA-N 2 0 341.521 1.889 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)CC(C)C ZINC000416955309 319485136 /nfs/dbraw/zinc/48/51/36/319485136.db2.gz MEMMKUVZUBYHEV-JKSUJKDBSA-N 2 0 328.501 1.502 20 0 EDADRP COCC[NH2+]CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000417330752 319492119 /nfs/dbraw/zinc/49/21/19/319492119.db2.gz LIVGQKMLBQTYGU-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP CN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418671895 319509542 /nfs/dbraw/zinc/50/95/42/319509542.db2.gz MXEGZOQHBYXTAS-PIIMJCKOSA-N 2 0 328.460 1.510 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[NH+](C2CCC2)CC1 ZINC000418681038 319510712 /nfs/dbraw/zinc/51/07/12/319510712.db2.gz GPHWBQISNATMSF-ZWKOTPCHSA-N 2 0 328.460 1.622 20 0 EDADRP Cc1nn2c(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)c(C)nc2s1 ZINC000282451625 443343272 /nfs/dbraw/zinc/34/32/72/443343272.db2.gz SKZUPEBQHJAUNL-UHFFFAOYSA-N 2 0 336.509 1.523 20 0 EDADRP C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[N@H+](C)Cc1ccccc1 ZINC000267200497 443376304 /nfs/dbraw/zinc/37/63/04/443376304.db2.gz DBSXZUGDBMZHFE-KRWDZBQOSA-N 2 0 346.519 1.649 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000269656413 443382620 /nfs/dbraw/zinc/38/26/20/443382620.db2.gz NHPBBKPPPHMDPW-UHFFFAOYSA-N 2 0 345.487 1.744 20 0 EDADRP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000272551972 443361383 /nfs/dbraw/zinc/36/13/83/443361383.db2.gz MEZQZAUSNGMQOX-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000422698584 319732957 /nfs/dbraw/zinc/73/29/57/319732957.db2.gz ZZGDLAMWOWVDHV-ZWKOTPCHSA-N 2 0 333.476 1.912 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000422742562 319737292 /nfs/dbraw/zinc/73/72/92/319737292.db2.gz RPUWKZNUKDHIHH-GOEBONIOSA-N 2 0 325.478 1.590 20 0 EDADRP COc1ccc([C@H](NC[C@H](O)C[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422978015 319744646 /nfs/dbraw/zinc/74/46/46/319744646.db2.gz YGMSRPSHVKLRED-SXLOBPIMSA-N 2 0 347.503 1.925 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000423318964 319763836 /nfs/dbraw/zinc/76/38/36/319763836.db2.gz LGCUEHKUEDCHLI-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP COc1cccc(OC)c1OC[C@@H](O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000265030414 443512711 /nfs/dbraw/zinc/51/27/11/443512711.db2.gz UUWHPHOPZLHRHQ-CABCVRRESA-N 2 0 338.448 1.327 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000273025175 443521948 /nfs/dbraw/zinc/52/19/48/443521948.db2.gz CRYMJGRHIWASBN-HOTGVXAUSA-N 2 0 335.448 1.501 20 0 EDADRP COc1ccc(OC)c(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433143292 319971777 /nfs/dbraw/zinc/97/17/77/319971777.db2.gz YHKFSSCTGASYGO-UHFFFAOYSA-N 2 0 349.475 1.566 20 0 EDADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccccc1F ZINC000433152161 319972297 /nfs/dbraw/zinc/97/22/97/319972297.db2.gz KYOJAKNPGQVJIY-CQSZACIVSA-N 2 0 337.439 1.913 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCOc2ncccc2Cl)CC1 ZINC000433154800 319972746 /nfs/dbraw/zinc/97/27/46/319972746.db2.gz BVNBOLRLAIZTBP-UHFFFAOYSA-N 2 0 340.855 1.433 20 0 EDADRP C[C@H]1Oc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2NC1=O ZINC000433167264 319974075 /nfs/dbraw/zinc/97/40/75/319974075.db2.gz MRENWXZOVFWSIZ-GFCCVEGCSA-N 2 0 346.431 1.548 20 0 EDADRP CO[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1(C)C ZINC000440343141 320072547 /nfs/dbraw/zinc/07/25/47/320072547.db2.gz OTOAIXAIDVRXQK-CVEARBPZSA-N 2 0 342.528 1.715 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)NC2CC2)CC1 ZINC000446975094 320138003 /nfs/dbraw/zinc/13/80/03/320138003.db2.gz OUKZIAQKAUYFBK-UHFFFAOYSA-N 2 0 330.476 1.587 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449220776 320179409 /nfs/dbraw/zinc/17/94/09/320179409.db2.gz ROLLTASNMNQBJG-UHFFFAOYSA-N 2 0 333.476 1.965 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000458129724 320336687 /nfs/dbraw/zinc/33/66/87/320336687.db2.gz LCEUPXWJEQGOCA-IYBDPMFKSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000458547579 320337401 /nfs/dbraw/zinc/33/74/01/320337401.db2.gz XNUDMVHZHSIDBT-BBWFWOEESA-N 2 0 340.512 1.061 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487602355 320356844 /nfs/dbraw/zinc/35/68/44/320356844.db2.gz VITYAUFTTVCYOD-FVQBIDKESA-N 2 0 326.485 1.004 20 0 EDADRP Cn1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000516568012 320438604 /nfs/dbraw/zinc/43/86/04/320438604.db2.gz MLBSFUBEHHPJLV-CQSZACIVSA-N 2 0 342.447 1.596 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000291022130 443735025 /nfs/dbraw/zinc/73/50/25/443735025.db2.gz GZWVVCARSSKGMP-IBGZPJMESA-N 2 0 348.487 1.987 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCSC1 ZINC000276553995 443744181 /nfs/dbraw/zinc/74/41/81/443744181.db2.gz FROFJLXZTXWTBT-SFHVURJKSA-N 2 0 333.501 1.542 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000529354014 320576524 /nfs/dbraw/zinc/57/65/24/320576524.db2.gz ROOREOJULAUWQC-HZPDHXFCSA-N 2 0 336.480 1.025 20 0 EDADRP C[NH+](C)CCCNC(=O)c1ccc(C(=O)NCCC[NH+](C)C)s1 ZINC000298618604 443818288 /nfs/dbraw/zinc/81/82/88/443818288.db2.gz WEINVEAQEPUXCV-UHFFFAOYSA-N 2 0 340.493 1.111 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CCC[N@H+](C)CC2)[NH+](C)C)c1 ZINC000298638575 443824879 /nfs/dbraw/zinc/82/48/79/443824879.db2.gz FJGOCIFISICVDU-QGZVFWFLSA-N 2 0 334.464 1.645 20 0 EDADRP COCCc1noc(CC2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000530244894 320617496 /nfs/dbraw/zinc/61/74/96/320617496.db2.gz QIYOPAJIEMVMMO-GDBMZVCRSA-N 2 0 336.480 1.901 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1nc(C(C)(C)C)no1 ZINC000531357261 320656709 /nfs/dbraw/zinc/65/67/09/320656709.db2.gz MHIWCOOFTPSVDE-UHFFFAOYSA-N 2 0 339.484 1.252 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2Cc3ccccc3OC(C)(C)C2)CC1 ZINC000288580835 443924817 /nfs/dbraw/zinc/92/48/17/443924817.db2.gz CFXLSUOVUSCYGI-UHFFFAOYSA-N 2 0 331.460 1.824 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299170025 443973518 /nfs/dbraw/zinc/97/35/18/443973518.db2.gz WTNCVDASQXNWER-IBGZPJMESA-N 2 0 344.503 1.357 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000557241623 321000999 /nfs/dbraw/zinc/00/09/99/321000999.db2.gz WBYYONTXTJSYGL-XHSDSOJGSA-N 2 0 338.496 1.399 20 0 EDADRP CCS(=O)(=O)N1CC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000562960267 321084108 /nfs/dbraw/zinc/08/41/08/321084108.db2.gz NLDLJGBQJNUAGB-BZUAXINKSA-N 2 0 329.510 1.168 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC(C)(C)c2ccccc2Cl)CC1 ZINC000562986367 321084795 /nfs/dbraw/zinc/08/47/95/321084795.db2.gz XITUHBLWFGKYPJ-HNNXBMFYSA-N 2 0 339.911 1.816 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000564187879 321123288 /nfs/dbraw/zinc/12/32/88/321123288.db2.gz LNQGXHWITDMNKO-HOTGVXAUSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000564431180 321131306 /nfs/dbraw/zinc/13/13/06/321131306.db2.gz ZXZIPPBTAHNYNA-QRQLOZEOSA-N 2 0 344.503 1.991 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000564440487 321131582 /nfs/dbraw/zinc/13/15/82/321131582.db2.gz LSZDCMXRMPGRHZ-HZPDHXFCSA-N 2 0 340.537 1.380 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCOc2ccccc2Cl)C[C@H](C)O1 ZINC000564854095 321151324 /nfs/dbraw/zinc/15/13/24/321151324.db2.gz LQQAEYKCEGXRLB-ZNMIVQPWSA-N 2 0 342.867 1.779 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000565042034 321166035 /nfs/dbraw/zinc/16/60/35/321166035.db2.gz ZEMABTMBJLRZES-FMKPAKJESA-N 2 0 348.466 1.882 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)n1 ZINC000565184786 321174810 /nfs/dbraw/zinc/17/48/10/321174810.db2.gz DJVPHUXTYTYLPI-UHFFFAOYSA-N 2 0 333.480 1.393 20 0 EDADRP COc1ccc(C[C@H](C)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)cc1F ZINC000565234171 321177719 /nfs/dbraw/zinc/17/77/19/321177719.db2.gz REIYTEVWUIVJMC-BJJXKVORSA-N 2 0 335.423 1.257 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCSC1 ZINC000566795334 321233994 /nfs/dbraw/zinc/23/39/94/321233994.db2.gz LKBDVFGHJPZTKA-AEFFLSMTSA-N 2 0 348.516 1.691 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000567522652 321244619 /nfs/dbraw/zinc/24/46/19/321244619.db2.gz WPCAUWRCBHEEAX-ZWKOTPCHSA-N 2 0 332.492 1.928 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccccc3Cl)CC2)CC1 ZINC000567685642 321252086 /nfs/dbraw/zinc/25/20/86/321252086.db2.gz HIDJMSFHPBLUPB-HNNXBMFYSA-N 2 0 337.895 1.570 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000568609413 321298937 /nfs/dbraw/zinc/29/89/37/321298937.db2.gz BLCDIMNGTDRGLY-CVEARBPZSA-N 2 0 326.485 1.447 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000568855882 321309165 /nfs/dbraw/zinc/30/91/65/321309165.db2.gz IAOQQTJMSWMLCD-JCGIZDLHSA-N 2 0 346.475 1.963 20 0 EDADRP CC(C)c1ccc(O[C@H](C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000570627029 321351164 /nfs/dbraw/zinc/35/11/64/321351164.db2.gz WMGCXAFNJLPEEF-IEBWSBKVSA-N 2 0 349.519 1.775 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c(C)s1 ZINC000571514331 321389743 /nfs/dbraw/zinc/38/97/43/321389743.db2.gz RHTAZJCKNPUASE-RISCZKNCSA-N 2 0 345.534 1.621 20 0 EDADRP C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000573107615 321443859 /nfs/dbraw/zinc/44/38/59/321443859.db2.gz XMLLAPKHPYRIIW-MRXNPFEDSA-N 2 0 332.492 1.156 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2ccccc2n1 ZINC000299712044 444122295 /nfs/dbraw/zinc/12/22/95/444122295.db2.gz IRDCPAAYONPLBG-MRXNPFEDSA-N 2 0 343.475 1.822 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000574955113 321509056 /nfs/dbraw/zinc/50/90/56/321509056.db2.gz INTODMDOTUYXEJ-KRWDZBQOSA-N 2 0 325.497 1.628 20 0 EDADRP CC[C@H](C)[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295927461 444194834 /nfs/dbraw/zinc/19/48/34/444194834.db2.gz FTLKPAMMRKYZRB-HKUYNNGSSA-N 2 0 346.519 1.822 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738532 444196806 /nfs/dbraw/zinc/19/68/06/444196806.db2.gz GZAVFCLIULMSHU-ZBFHGGJFSA-N 2 0 335.448 1.294 20 0 EDADRP CC[NH2+]CCCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000576611139 321581607 /nfs/dbraw/zinc/58/16/07/321581607.db2.gz QRVLZVJAOGOWQY-UHFFFAOYSA-N 2 0 347.507 1.498 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000305706717 444273769 /nfs/dbraw/zinc/27/37/69/444273769.db2.gz WFXAFVBBEHCOFU-CEXWTWQISA-N 2 0 345.487 1.612 20 0 EDADRP O[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331375 444269335 /nfs/dbraw/zinc/26/93/35/444269335.db2.gz NAMSRXGTCYBMOP-VAMGGRTRSA-N 2 0 329.488 1.622 20 0 EDADRP C[C@@H](CNc1cc(N2CCCC[C@@H]2CO)ncn1)C[NH+]1CCCC1 ZINC000302919691 444231559 /nfs/dbraw/zinc/23/15/59/444231559.db2.gz YQRAZBAATKSKER-JKSUJKDBSA-N 2 0 333.480 1.972 20 0 EDADRP CN(CC1CC[NH+](C)CC1)c1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000302920232 444231888 /nfs/dbraw/zinc/23/18/88/444231888.db2.gz ZBBKQWFHZUKOLA-MRXNPFEDSA-N 2 0 333.480 1.606 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000296505862 444234476 /nfs/dbraw/zinc/23/44/76/444234476.db2.gz RGAOFYYTXURELE-MRXNPFEDSA-N 2 0 332.492 1.438 20 0 EDADRP CC1(C)CN(CCNC(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000297639569 444312160 /nfs/dbraw/zinc/31/21/60/444312160.db2.gz LRYPYDGVXAOVCL-UHFFFAOYSA-N 2 0 331.420 1.244 20 0 EDADRP C[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@H]([NH3+])c1ccccc1 ZINC000577868627 321690327 /nfs/dbraw/zinc/69/03/27/321690327.db2.gz CKCRPDSGHGNRMK-UAGQMJEPSA-N 2 0 331.460 1.536 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000578226324 321741853 /nfs/dbraw/zinc/74/18/53/321741853.db2.gz FLDVZUYRJRDRIM-QMCVQRASSA-N 2 0 335.423 1.012 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683782 444350881 /nfs/dbraw/zinc/35/08/81/444350881.db2.gz OPUQCCINAIGETH-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP Cc1cc(C)nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000340047624 444355959 /nfs/dbraw/zinc/35/59/59/444355959.db2.gz ALOCFEQNDWCNMS-UHFFFAOYSA-N 2 0 326.448 2.113 20 0 EDADRP CCC[C@H](C(=O)OCC)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000325311033 444363796 /nfs/dbraw/zinc/36/37/96/444363796.db2.gz XFCIKHNUADYAAJ-HRCADAONSA-N 2 0 339.480 1.298 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000297749703 444328834 /nfs/dbraw/zinc/32/88/34/444328834.db2.gz UEUDKQWKRJXUGU-QGZVFWFLSA-N 2 0 340.471 1.812 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]CC3(O)CCCC3)cc2)CC1 ZINC000578759724 321826229 /nfs/dbraw/zinc/82/62/29/321826229.db2.gz GICBOAPIKAPGKO-UHFFFAOYSA-N 2 0 345.487 1.779 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000298005204 444384501 /nfs/dbraw/zinc/38/45/01/444384501.db2.gz BLQKUWBJTMXAFR-UHFFFAOYSA-N 2 0 327.428 1.889 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3ccc(O)cc32)CC1 ZINC000340472997 444392320 /nfs/dbraw/zinc/39/23/20/444392320.db2.gz IYFJCHUOPFQGBL-HXUWFJFHSA-N 2 0 347.503 1.749 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)CC2)CC1 ZINC000580092353 322009266 /nfs/dbraw/zinc/00/92/66/322009266.db2.gz DRFVEGWYWOOHRF-INIZCTEOSA-N 2 0 347.507 1.605 20 0 EDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000580311637 322035195 /nfs/dbraw/zinc/03/51/95/322035195.db2.gz VSTPKDLGPHHQJV-RBUKOAKNSA-N 2 0 344.503 1.975 20 0 EDADRP Cn1ccnc1[C@H](CC(=O)NC[C@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000580568258 322069154 /nfs/dbraw/zinc/06/91/54/322069154.db2.gz AXDAOADXPUBLJQ-NEPJUHHUSA-N 2 0 332.370 1.914 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000580763423 322091842 /nfs/dbraw/zinc/09/18/42/322091842.db2.gz BFWBPYRINSDZOT-WMZOPIPTSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@@H]1CN(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C[C@@]1(C)C[NH3+] ZINC000580823799 322099697 /nfs/dbraw/zinc/09/96/97/322099697.db2.gz ZWASHCJQDWYGAR-FXRXJOCMSA-N 2 0 334.508 1.972 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000580823425 322099837 /nfs/dbraw/zinc/09/98/37/322099837.db2.gz UOBNBGMWOIGVBN-KRWDZBQOSA-N 2 0 339.528 1.186 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000580832257 322101112 /nfs/dbraw/zinc/10/11/12/322101112.db2.gz USNFMBPOHSMZHV-YFHUEUNASA-N 2 0 328.460 1.642 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000581061034 322130218 /nfs/dbraw/zinc/13/02/18/322130218.db2.gz BHKQJYGXPHHIKG-SFHVURJKSA-N 3 0 347.507 1.313 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000581142880 322142002 /nfs/dbraw/zinc/14/20/02/322142002.db2.gz IPGWOLPQRAKZCT-NEWSRXKRSA-N 2 0 344.503 1.943 20 0 EDADRP CCN1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000581148489 322142411 /nfs/dbraw/zinc/14/24/11/322142411.db2.gz IRDKBYDNWCUKAZ-VQIMIIECSA-N 2 0 331.460 1.176 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246269 322154224 /nfs/dbraw/zinc/15/42/24/322154224.db2.gz OCBWMYQWOBOMRE-XNIJUTNWSA-N 2 0 341.540 1.413 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000581606766 322198477 /nfs/dbraw/zinc/19/84/77/322198477.db2.gz HLIADQVLRIJHQC-QGZVFWFLSA-N 2 0 342.447 1.112 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NCC[N@@H+]3CCCC3(C)C)n2)CC1 ZINC000581651548 322203431 /nfs/dbraw/zinc/20/34/31/322203431.db2.gz RGEANKARLSIUKZ-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccco1 ZINC000338236548 444579479 /nfs/dbraw/zinc/57/94/79/444579479.db2.gz XOICXDWMJNUVLA-UHFFFAOYSA-N 2 0 343.431 1.686 20 0 EDADRP CN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCC[NH2+]CC1 ZINC000333579607 444682314 /nfs/dbraw/zinc/68/23/14/444682314.db2.gz UBIIDXWZYIGBHO-CMPFZWEDSA-N 2 0 334.508 1.924 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333830312 444701319 /nfs/dbraw/zinc/70/13/19/444701319.db2.gz MLJHDFFRGCDNIP-HLLBOEOZSA-N 2 0 338.496 1.269 20 0 EDADRP CC[N@H+](CCNC(=O)[C@H](C(C)C)N1C[C@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463393 444707248 /nfs/dbraw/zinc/70/72/48/444707248.db2.gz RQXRQKXNSKBZMU-ZOBUZTSGSA-N 2 0 325.497 1.721 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@@H](c1nccn1C)C1CC1 ZINC000342505210 444721341 /nfs/dbraw/zinc/72/13/41/444721341.db2.gz SGGDLSWYOLBPSN-JKSUJKDBSA-N 2 0 333.480 1.404 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC000333931051 444721453 /nfs/dbraw/zinc/72/14/53/444721453.db2.gz ZQPDFWDONJDXPD-VSZNYVQBSA-N 2 0 328.460 1.640 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)NCC(C)C ZINC000344123853 444794286 /nfs/dbraw/zinc/79/42/86/444794286.db2.gz HBWLRFJALLJANW-QGZVFWFLSA-N 2 0 326.529 1.497 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H](O)C(C)(C)C)CC2)C1 ZINC000336873140 444817902 /nfs/dbraw/zinc/81/79/02/444817902.db2.gz RTYCBGPUNGULIK-DLBZAZTESA-N 2 0 327.513 1.120 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342694594 444818757 /nfs/dbraw/zinc/81/87/57/444818757.db2.gz OFBNLRFABJXYBI-JKSUJKDBSA-N 2 0 333.432 1.048 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000341438378 444832451 /nfs/dbraw/zinc/83/24/51/444832451.db2.gz ZQIPFUYCRLDRFL-AWEZNQCLSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000344235889 444855447 /nfs/dbraw/zinc/85/54/47/444855447.db2.gz MOYBKEGDBQVZGS-JTDSTZFVSA-N 2 0 345.487 1.600 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000342772855 444860378 /nfs/dbraw/zinc/86/03/78/444860378.db2.gz BDEVCZKHBHXBJE-KBAYOESNSA-N 2 0 335.492 1.715 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000342886713 444918790 /nfs/dbraw/zinc/91/87/90/444918790.db2.gz XVIULSKBOVHNOW-IAGOWNOFSA-N 2 0 337.508 1.583 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3CC[NH+](C)CC3)cn2)CC1 ZINC000344493416 445008722 /nfs/dbraw/zinc/00/87/22/445008722.db2.gz FZRMKQCWJYBTGV-UHFFFAOYSA-N 2 0 345.491 1.182 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCCC[C@@H]2C)C1 ZINC000337376916 445054851 /nfs/dbraw/zinc/05/48/51/445054851.db2.gz SCYPOXNFMWFUJK-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000337345425 445041548 /nfs/dbraw/zinc/04/15/48/445041548.db2.gz VAHBBOADHVRNEN-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP COc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc(C)n1 ZINC000337513603 445113346 /nfs/dbraw/zinc/11/33/46/445113346.db2.gz TUGWSFLYIZVICQ-UHFFFAOYSA-N 2 0 336.480 1.744 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CNCC2([NH3+])CCC2)CC1 ZINC000342089884 445166105 /nfs/dbraw/zinc/16/61/05/445166105.db2.gz BQIOJVKLNBICMY-UHFFFAOYSA-N 2 0 344.503 1.500 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000343265656 445168085 /nfs/dbraw/zinc/16/80/85/445168085.db2.gz FCLLBKFNFKIFGM-AEFFLSMTSA-N 2 0 344.503 1.622 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000343270879 445171300 /nfs/dbraw/zinc/17/13/00/445171300.db2.gz ARVKOVPCXQWPDB-RTBURBONSA-N 2 0 348.535 1.491 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000343251235 445161504 /nfs/dbraw/zinc/16/15/04/445161504.db2.gz MDHCTNAXKAOSIL-QRVBRYPASA-N 2 0 338.540 1.151 20 0 EDADRP C[C@H]1COCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000345734716 445197728 /nfs/dbraw/zinc/19/77/28/445197728.db2.gz AWZLVXJRNKBCME-FUHWJXTLSA-N 2 0 346.475 1.383 20 0 EDADRP CC(C)[NH+]1CCC(N(C)CC(=O)NCC(=O)OC(C)(C)C)CC1 ZINC000343527655 445238676 /nfs/dbraw/zinc/23/86/76/445238676.db2.gz LFGUTVVSUWPQBA-UHFFFAOYSA-N 2 0 327.469 1.249 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000347683882 445244980 /nfs/dbraw/zinc/24/49/80/445244980.db2.gz LMSHDYSJVQFULJ-SJORKVTESA-N 2 0 325.497 1.583 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000348522068 445313748 /nfs/dbraw/zinc/31/37/48/445313748.db2.gz VGDORAKOPRCRLQ-OKZBNKHCSA-N 2 0 340.508 1.643 20 0 EDADRP OCC[C@@H]1CCC[C@H]1[NH2+]CC1(C[NH2+][C@H]2CCC[C@H]2CCO)COC1 ZINC000348145039 445288410 /nfs/dbraw/zinc/28/84/10/445288410.db2.gz BZSQKOMFTFCONH-XLAORIBOSA-N 2 0 340.508 1.284 20 0 EDADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](CC)CC ZINC000343670176 445293239 /nfs/dbraw/zinc/29/32/39/445293239.db2.gz DAKRVSREJUWBQU-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@H+](CCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000354681839 445338684 /nfs/dbraw/zinc/33/86/84/445338684.db2.gz AVYPYKKPYWFKNT-INIZCTEOSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848641 445341757 /nfs/dbraw/zinc/34/17/57/445341757.db2.gz DPWPTJUTIMLPGX-NXEZZACHSA-N 2 0 327.331 1.616 20 0 EDADRP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351850582 445343126 /nfs/dbraw/zinc/34/31/26/445343126.db2.gz JDLKFIBDTRVQIU-JYJNAYRXSA-N 2 0 348.466 1.532 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000351904289 445365177 /nfs/dbraw/zinc/36/51/77/445365177.db2.gz GBLWHICAVYWNAR-JKSUJKDBSA-N 2 0 339.459 1.133 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000348890194 445431117 /nfs/dbraw/zinc/43/11/17/445431117.db2.gz DJYHQRQDRSBAOA-UHFFFAOYSA-N 2 0 330.476 1.896 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000351978484 445413998 /nfs/dbraw/zinc/41/39/98/445413998.db2.gz UIBXVJMWEIKYRQ-UHFFFAOYSA-N 2 0 333.480 1.294 20 0 EDADRP COc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357085504 445417897 /nfs/dbraw/zinc/41/78/97/445417897.db2.gz KQEMIFFUTRDGKG-QGZVFWFLSA-N 2 0 331.460 1.633 20 0 EDADRP CCCCN(C)S(=O)(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000357055252 445398495 /nfs/dbraw/zinc/39/84/95/445398495.db2.gz UIAAVOIRTFJMHB-MRXNPFEDSA-N 2 0 348.557 1.311 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000362651173 445479413 /nfs/dbraw/zinc/47/94/13/445479413.db2.gz FNSUMNWESNQLRL-JJXSEGSLSA-N 2 0 326.485 1.077 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000349026241 445479673 /nfs/dbraw/zinc/47/96/73/445479673.db2.gz JINDYPNLGQMUOC-UHFFFAOYSA-N 2 0 345.487 1.736 20 0 EDADRP CN(C)c1nccc(N2C[C@H](F)C[C@H]2CN(C)Cc2cc[nH]n2)n1 ZINC000354917832 445434373 /nfs/dbraw/zinc/43/43/73/445434373.db2.gz IALQQBGPFJMYDX-OCCSQVGLSA-N 2 0 333.415 1.315 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362565263 445442195 /nfs/dbraw/zinc/44/21/95/445442195.db2.gz AEPDYSKTCRZINY-GJZGRUSLSA-N 2 0 349.479 1.060 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362570399 445445535 /nfs/dbraw/zinc/44/55/35/445445535.db2.gz RFXOMDLQWCVTHV-CABCVRRESA-N 2 0 331.464 1.481 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000360002216 445521882 /nfs/dbraw/zinc/52/18/82/445521882.db2.gz ANOOFHZQNROBOO-IRXDYDNUSA-N 2 0 337.489 1.415 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000359919846 445488561 /nfs/dbraw/zinc/48/85/61/445488561.db2.gz WXRZGWPSQFSDDV-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357238720 445500032 /nfs/dbraw/zinc/50/00/32/445500032.db2.gz IZKODKQFIVKPNY-INIZCTEOSA-N 2 0 330.476 1.170 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000352753835 445553094 /nfs/dbraw/zinc/55/30/94/445553094.db2.gz PRVLLJVNOKTHBV-DLBZAZTESA-N 2 0 342.528 1.595 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@H]1C[C@@H](OC)C[NH+]1C ZINC000358165732 445609882 /nfs/dbraw/zinc/60/98/82/445609882.db2.gz OMJHXJOYECRTIZ-ARFHVFGLSA-N 2 0 328.501 1.467 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000353473785 445617639 /nfs/dbraw/zinc/61/76/39/445617639.db2.gz VJGLPNCTVMGEJG-SJORKVTESA-N 2 0 337.508 1.772 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCc1ccc2c(c1)OCO2 ZINC000358521219 445630880 /nfs/dbraw/zinc/63/08/80/445630880.db2.gz XSAXZGIWTWMRMY-UHFFFAOYSA-N 2 0 331.416 1.107 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NCCNc2cc[nH+]cc2)[NH+](C)C)cc1 ZINC000356131526 445637671 /nfs/dbraw/zinc/63/76/71/445637671.db2.gz CMLHESYXVJIJAR-SFHVURJKSA-N 2 0 341.459 1.826 20 0 EDADRP C[NH+](C)CCNC(=O)[C@@H](Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000353645041 445691377 /nfs/dbraw/zinc/69/13/77/445691377.db2.gz AUXSZIINAUDRER-DAWZGUTISA-N 2 0 333.476 1.169 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCCC1 ZINC000358658575 445698642 /nfs/dbraw/zinc/69/86/42/445698642.db2.gz FFNRSMAUYHCNRH-FUHWJXTLSA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@H](CO)O2)CC1 ZINC000353683399 445705618 /nfs/dbraw/zinc/70/56/18/445705618.db2.gz FMAACUIELQPHEB-ZWKOTPCHSA-N 2 0 333.476 1.458 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCOCC[NH+](C)C ZINC000353688045 445708111 /nfs/dbraw/zinc/70/81/11/445708111.db2.gz NWOBDXBJMFWFKP-AWEZNQCLSA-N 2 0 333.432 1.229 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)N2CCc3c(ncn3C)C2)C1 ZINC000363179960 445709661 /nfs/dbraw/zinc/70/96/61/445709661.db2.gz UZIOXRLRXXKQNM-HNNXBMFYSA-N 2 0 333.480 2.000 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000358679855 445712160 /nfs/dbraw/zinc/71/21/60/445712160.db2.gz AXFXKBAAFHVMGG-KRWDZBQOSA-N 2 0 326.485 1.008 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349917380 445720714 /nfs/dbraw/zinc/72/07/14/445720714.db2.gz ZTSLIWHMEUQCMA-SFHVURJKSA-N 2 0 348.491 1.386 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356403381 445773563 /nfs/dbraw/zinc/77/35/63/445773563.db2.gz UMDTZMYVMNCADB-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CCC[C@@H]21 ZINC000349966341 445737173 /nfs/dbraw/zinc/73/71/73/445737173.db2.gz MKFCYAKUIZYWPA-AEFFLSMTSA-N 2 0 343.475 1.788 20 0 EDADRP CC(C)N1CCC[C@@H]([NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1=O ZINC000363312033 445761889 /nfs/dbraw/zinc/76/18/89/445761889.db2.gz GRKOZHYMBIPSPG-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCCS(N)(=O)=O)CC1)CC(C)C ZINC000358763184 445762541 /nfs/dbraw/zinc/76/25/41/445762541.db2.gz BFDWRTBQPGWHCV-UHFFFAOYSA-N 2 0 333.542 1.745 20 0 EDADRP O=C(NCCCCF)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000361495284 445786960 /nfs/dbraw/zinc/78/69/60/445786960.db2.gz NCZSGROZRIQQLJ-UHFFFAOYSA-N 2 0 337.443 1.643 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCc2ccccc21 ZINC000363407249 445791566 /nfs/dbraw/zinc/79/15/66/445791566.db2.gz VCMKUJBHGJMRQU-QRWLVFNGSA-N 2 0 327.472 1.990 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000353927949 445816026 /nfs/dbraw/zinc/81/60/26/445816026.db2.gz JRWHTMAUSIPXBP-HLLBOEOZSA-N 2 0 325.497 1.580 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000354067621 445885091 /nfs/dbraw/zinc/88/50/91/445885091.db2.gz DIUXEESIVNDTID-LJQANCHMSA-N 2 0 347.503 1.811 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000356537647 445848078 /nfs/dbraw/zinc/84/80/78/445848078.db2.gz WVKLHJSOTBQZNS-KRWDZBQOSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H](NC(=O)NCC[NH+]1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000354004135 445848718 /nfs/dbraw/zinc/84/87/18/445848718.db2.gz AMSCBQPSHGNVDY-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP NC(=O)N1CCCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986152 445944072 /nfs/dbraw/zinc/94/40/72/445944072.db2.gz FJDIJALQIVHGHJ-SFHVURJKSA-N 2 0 346.475 1.364 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@@H]1CCOC1 ZINC000365910975 445901633 /nfs/dbraw/zinc/90/16/33/445901633.db2.gz BVDUFYMAOOAJJU-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC1 ZINC000365918972 445906877 /nfs/dbraw/zinc/90/68/77/445906877.db2.gz HVRXSSXACSOYQP-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000369157890 445959060 /nfs/dbraw/zinc/95/90/60/445959060.db2.gz VBCTZHDMUVLAST-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP Cc1ccc(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c(OCC[NH+](C)C)c1 ZINC000582594066 325881125 /nfs/dbraw/zinc/88/11/25/325881125.db2.gz ZPBNJDUPIMJKQO-ZBFHGGJFSA-N 2 0 332.448 1.761 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(CCC3)C[C@H]2C)C1 ZINC000373025087 445982321 /nfs/dbraw/zinc/98/23/21/445982321.db2.gz KLURWBLSAVCDAZ-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000373039182 445989331 /nfs/dbraw/zinc/98/93/31/445989331.db2.gz ZUUAUOUQNVELEK-INIZCTEOSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1cccc(Cl)c1 ZINC000582840760 325939823 /nfs/dbraw/zinc/93/98/23/325939823.db2.gz JYOKWZGYGPKUTI-GOEBONIOSA-N 2 0 341.883 1.305 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H](c3nccn3C)C2)CC1 ZINC000373115441 446037548 /nfs/dbraw/zinc/03/75/48/446037548.db2.gz KPCVSWJNZBPYLX-MRXNPFEDSA-N 2 0 347.507 1.589 20 0 EDADRP CC(C)CCOC1CC[NH+]([C@@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000359210729 446039311 /nfs/dbraw/zinc/03/93/11/446039311.db2.gz ROGNLQROJBFDME-MRXNPFEDSA-N 2 0 339.480 1.203 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)n1 ZINC000583153376 326015477 /nfs/dbraw/zinc/01/54/77/326015477.db2.gz KMQWOYPBLSPJOK-SJLPKXTDSA-N 2 0 341.459 1.272 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583370968 326059268 /nfs/dbraw/zinc/05/92/68/326059268.db2.gz LRXQBBJRSJCYOR-OGCZYDBJSA-N 2 0 328.460 1.414 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000584221330 326221856 /nfs/dbraw/zinc/22/18/56/326221856.db2.gz SMXXAKWOUCKAQR-SFHVURJKSA-N 2 0 340.512 1.565 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000359240192 446072691 /nfs/dbraw/zinc/07/26/91/446072691.db2.gz SALZVJWCXIFQKK-QGZVFWFLSA-N 2 0 343.475 1.582 20 0 EDADRP CCS(=O)(=O)NCCN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000369325547 446074871 /nfs/dbraw/zinc/07/48/71/446074871.db2.gz VMNUKQTWWYSHKY-CVEARBPZSA-N 2 0 331.526 1.512 20 0 EDADRP COC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)C1CC1 ZINC000366301507 446138687 /nfs/dbraw/zinc/13/86/87/446138687.db2.gz YKOVMPJGJOIHQM-KRWDZBQOSA-N 2 0 335.496 1.385 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCC[NH+](C)[C@@H](C)CC)C1 ZINC000359257053 446092413 /nfs/dbraw/zinc/09/24/13/446092413.db2.gz AWCLGXMIUHHDKE-HOTGVXAUSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NC2CC[NH+](C)CC2)C1 ZINC000366386990 446185714 /nfs/dbraw/zinc/18/57/14/446185714.db2.gz AIVPBQDOAYSCQH-UHFFFAOYSA-N 2 0 344.459 1.214 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)[C@@H](C)C2)s1 ZINC000366324768 446150559 /nfs/dbraw/zinc/15/05/59/446150559.db2.gz OLPKCQHRZJSYJR-BJJXKVORSA-N 2 0 336.505 1.920 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366326604 446152769 /nfs/dbraw/zinc/15/27/69/446152769.db2.gz RBCJEZOIJXQSLW-GOSISDBHSA-N 2 0 338.540 1.769 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[C@H]1c1cccc(Cl)c1 ZINC000366330303 446155079 /nfs/dbraw/zinc/15/50/79/446155079.db2.gz QFDVREPGUJFFTR-VNQPRFMTSA-N 2 0 337.851 1.437 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417337801 446346268 /nfs/dbraw/zinc/34/62/68/446346268.db2.gz JEVHSJLUGPVKBO-ATZDWAIDSA-N 2 0 342.487 1.827 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417500377 446356025 /nfs/dbraw/zinc/35/60/25/446356025.db2.gz IKFRHMAFBACSPU-RTBURBONSA-N 2 0 344.503 1.802 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000417511788 446358233 /nfs/dbraw/zinc/35/82/33/446358233.db2.gz ZRXLBOCFGYAYMP-AEFFLSMTSA-N 2 0 330.476 1.554 20 0 EDADRP C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000417527978 446362039 /nfs/dbraw/zinc/36/20/39/446362039.db2.gz OQEZBZKAOQBSLH-RHSMWYFYSA-N 2 0 334.464 1.158 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000417530120 446363037 /nfs/dbraw/zinc/36/30/37/446363037.db2.gz RWMMCRIZOIFSFB-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417816061 446374025 /nfs/dbraw/zinc/37/40/25/446374025.db2.gz BZKYFBJIIMECEF-RYRKJORJSA-N 2 0 330.476 1.900 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n(C)n1 ZINC000417913304 446384118 /nfs/dbraw/zinc/38/41/18/446384118.db2.gz PXLORGPHNFDQIU-UHFFFAOYSA-N 2 0 343.479 1.211 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418074676 446432342 /nfs/dbraw/zinc/43/23/42/446432342.db2.gz OBBRLYHZJHRBBH-SJLPKXTDSA-N 2 0 348.491 1.704 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1(C)CC[NH2+]CC1)CCC(F)(F)F ZINC000418075537 446432427 /nfs/dbraw/zinc/43/24/27/446432427.db2.gz HEGOVIFKWLFJMX-UHFFFAOYSA-N 2 0 338.418 1.950 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000418081897 446435022 /nfs/dbraw/zinc/43/50/22/446435022.db2.gz WCSWWPAOHRJGBD-WBVHZDCISA-N 2 0 348.516 1.607 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000418078653 446435468 /nfs/dbraw/zinc/43/54/68/446435468.db2.gz OPSWAHQIJDHOSZ-RWMBFGLXSA-N 2 0 336.402 1.639 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418099474 446440427 /nfs/dbraw/zinc/44/04/27/446440427.db2.gz NNUVMIXIXSFWDI-KRWDZBQOSA-N 2 0 347.507 1.981 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000420287952 446452817 /nfs/dbraw/zinc/45/28/17/446452817.db2.gz GTNOWWDXKZYZQE-SNVBAGLBSA-N 2 0 331.247 1.675 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000420272457 446443442 /nfs/dbraw/zinc/44/34/42/446443442.db2.gz MCKSLDUZNIATSE-GOSISDBHSA-N 2 0 330.476 1.062 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000418165902 446443718 /nfs/dbraw/zinc/44/37/18/446443718.db2.gz IREAXSYZFSCMFZ-HNNXBMFYSA-N 2 0 327.517 1.027 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000423173095 446446474 /nfs/dbraw/zinc/44/64/74/446446474.db2.gz WXGBIBAYCCMZPR-HZPDHXFCSA-N 3 0 325.497 1.629 20 0 EDADRP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+](Cc2ccccc2)CC1 ZINC000423191886 446448708 /nfs/dbraw/zinc/44/87/08/446448708.db2.gz TWKYYFMYXHQSPZ-DFNIBXOVSA-N 3 0 329.488 1.886 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420282681 446449719 /nfs/dbraw/zinc/44/97/19/446449719.db2.gz BAEUMHJHUBFLKO-QZTJIDSGSA-N 3 0 334.508 1.711 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417996969 446411053 /nfs/dbraw/zinc/41/10/53/446411053.db2.gz REHFIOKVVKNNGB-OLMNPRSZSA-N 2 0 346.475 1.050 20 0 EDADRP COC[C@@]1(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CCC[NH2+]1 ZINC000418003792 446412233 /nfs/dbraw/zinc/41/22/33/446412233.db2.gz NINGQKLWFPPXSV-RDJZCZTQSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000418012703 446415497 /nfs/dbraw/zinc/41/54/97/446415497.db2.gz YBBDCOHKVHFLMZ-NRSFXHEJSA-N 2 0 330.476 1.853 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000370765725 446424184 /nfs/dbraw/zinc/42/41/84/446424184.db2.gz GYMMMZMNOPGILU-ZWKOTPCHSA-N 2 0 330.476 1.233 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000370767425 446425488 /nfs/dbraw/zinc/42/54/88/446425488.db2.gz TZKZUSFULLSVNT-PKOBYXMFSA-N 2 0 339.524 1.875 20 0 EDADRP CCCN(C(=O)NCc1ccncc1OCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000418191123 446453979 /nfs/dbraw/zinc/45/39/79/446453979.db2.gz KEPMKIGQOLVJTR-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP COC(=O)c1ccc2c(c1)nc(CN1CCC[C@H](CC[NH3+])C1)[nH]c2=O ZINC000420307533 446470724 /nfs/dbraw/zinc/47/07/24/446470724.db2.gz IVZBGNORENOABZ-GFCCVEGCSA-N 2 0 344.415 1.683 20 0 EDADRP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423282343 446473361 /nfs/dbraw/zinc/47/33/61/446473361.db2.gz WLEBKUZUAXMWIV-ZIAGYGMSSA-N 2 0 325.478 1.733 20 0 EDADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC[NH2+]CC2)C3)cc1 ZINC000423204165 446453476 /nfs/dbraw/zinc/45/34/76/446453476.db2.gz NWEFXDHYZKYQCK-ACDBMABISA-N 3 0 328.504 1.677 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[NH+](C2CCCC2)CC1 ZINC000423318963 446486414 /nfs/dbraw/zinc/48/64/14/446486414.db2.gz LGCUEHKUEDCHLI-AWEZNQCLSA-N 2 0 331.464 1.577 20 0 EDADRP CN1CCN(C(=O)NCCC[NH2+]C2CC2)C[C@@H]1Cc1ccccc1 ZINC000418293630 446488407 /nfs/dbraw/zinc/48/84/07/446488407.db2.gz BQZPXGBXYZGKLN-SFHVURJKSA-N 2 0 330.476 1.697 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)[C@@H](C)[NH3+] ZINC000423333383 446491693 /nfs/dbraw/zinc/49/16/93/446491693.db2.gz ROEQLPJUVYVCSD-XYPHTWIQSA-N 2 0 346.475 1.694 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1)[C@H](C)[NH3+] ZINC000423333382 446491712 /nfs/dbraw/zinc/49/17/12/446491712.db2.gz ROEQLPJUVYVCSD-XKQJLSEDSA-N 2 0 346.475 1.694 20 0 EDADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCCN(c3ccccc3)C2=O)CC12CCOCC2 ZINC000420326717 446493404 /nfs/dbraw/zinc/49/34/04/446493404.db2.gz KMXXMOSZUYBFPY-FUHWJXTLSA-N 2 0 343.471 1.869 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326710 446493611 /nfs/dbraw/zinc/49/36/11/446493611.db2.gz KMHFPIPQJIDRAF-CQSZACIVSA-N 2 0 335.423 1.842 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326298 446493852 /nfs/dbraw/zinc/49/38/52/446493852.db2.gz JSJKKPUGTOSUST-HNNXBMFYSA-N 2 0 348.443 1.872 20 0 EDADRP C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000423338086 446494851 /nfs/dbraw/zinc/49/48/51/446494851.db2.gz ASDMACHCTPKFRG-HUUCEWRRSA-N 2 0 333.480 1.729 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423368111 446503879 /nfs/dbraw/zinc/50/38/79/446503879.db2.gz CYDBSYKLOGSLJF-NWANDNLSSA-N 2 0 325.478 1.857 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC[NH2+]C1 ZINC000423368594 446504805 /nfs/dbraw/zinc/50/48/05/446504805.db2.gz BFAIMCHAGBEYPX-KXBFYZLASA-N 2 0 333.476 1.858 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[C@@H](C)[NH3+] ZINC000423374219 446506739 /nfs/dbraw/zinc/50/67/39/446506739.db2.gz IBTMPSUGBIOKCL-XDNAFOTISA-N 2 0 338.540 1.623 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000420342445 446513481 /nfs/dbraw/zinc/51/34/81/446513481.db2.gz PJWGVFRYEMFVEL-LSDHHAIUSA-N 2 0 347.459 1.964 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418323619 446496767 /nfs/dbraw/zinc/49/67/67/446496767.db2.gz FWWFRSHMJJNVDT-INIZCTEOSA-N 2 0 333.480 1.687 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC[C@H]1Cc2ccccc2O1 ZINC000420328903 446497612 /nfs/dbraw/zinc/49/76/12/446497612.db2.gz NKICXWONVKQDSY-FGTMMUONSA-N 2 0 343.471 1.428 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000423359237 446499768 /nfs/dbraw/zinc/49/97/68/446499768.db2.gz USFDDYBQSYFGFL-LJQANCHMSA-N 2 0 331.460 1.890 20 0 EDADRP Cn1ccnc1N1CCN([C@@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411400435 446518898 /nfs/dbraw/zinc/51/88/98/446518898.db2.gz NTMRFWANOQPSBI-MRXNPFEDSA-N 2 0 343.406 1.487 20 0 EDADRP CS(=O)(=O)c1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347633 446523695 /nfs/dbraw/zinc/52/36/95/446523695.db2.gz YXNKJWOMOCUBNT-GASCZTMLSA-N 2 0 338.473 1.400 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418403931 446532472 /nfs/dbraw/zinc/53/24/72/446532472.db2.gz IUBVGOJXDVVWGN-JENIJYKNSA-N 2 0 346.475 1.050 20 0 EDADRP COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)CCC[NH2+]1 ZINC000423429695 446532968 /nfs/dbraw/zinc/53/29/68/446532968.db2.gz PFAGXAZETUHBMB-YTQUADARSA-N 2 0 332.492 1.650 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000423435749 446535954 /nfs/dbraw/zinc/53/59/54/446535954.db2.gz ROBBNGBZZCKUGG-UHFFFAOYSA-N 2 0 336.484 1.115 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418420278 446538379 /nfs/dbraw/zinc/53/83/79/446538379.db2.gz YZOWMLPTYAVLNX-RDHHWEPZSA-N 2 0 337.512 1.020 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433166175 446540834 /nfs/dbraw/zinc/54/08/34/446540834.db2.gz FGRUNMULLYKADG-KRWDZBQOSA-N 3 0 338.540 1.818 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000418477618 446557767 /nfs/dbraw/zinc/55/77/67/446557767.db2.gz YHDMUGUPQRDUQW-LSDHHAIUSA-N 2 0 326.485 1.399 20 0 EDADRP Cc1ccsc1[C@@H](CO)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411574701 446611969 /nfs/dbraw/zinc/61/19/69/446611969.db2.gz VAKVXNWCYGCJDO-OAHLLOKOSA-N 2 0 339.505 1.669 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418502217 446569063 /nfs/dbraw/zinc/56/90/63/446569063.db2.gz UESHOZQJRXMDLZ-SFHVURJKSA-N 2 0 332.492 1.930 20 0 EDADRP CC1=CC[NH+](CCNC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433405448 446572050 /nfs/dbraw/zinc/57/20/50/446572050.db2.gz GBNDRQWWWFELMD-QGZVFWFLSA-N 2 0 338.496 1.439 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCCCC[NH3+] ZINC000418507379 446572233 /nfs/dbraw/zinc/57/22/33/446572233.db2.gz IUSPRCRAEIZZTO-UHFFFAOYSA-N 2 0 328.407 1.777 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000433464615 446577717 /nfs/dbraw/zinc/57/77/17/446577717.db2.gz DBTZGRNJSOOFKE-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)c1 ZINC000423572429 446580329 /nfs/dbraw/zinc/58/03/29/446580329.db2.gz XFCLURITIHLNRG-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000418540958 446586083 /nfs/dbraw/zinc/58/60/83/446586083.db2.gz AQLLYQSLJDWPCA-COXVUDFISA-N 2 0 334.464 1.738 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000418553887 446592582 /nfs/dbraw/zinc/59/25/82/446592582.db2.gz ICBTZMDZDNTWHA-QAPCUYQASA-N 2 0 348.491 1.909 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(COC)CCC[NH2+]2)[C@H](C)C1 ZINC000418658952 446637599 /nfs/dbraw/zinc/63/75/99/446637599.db2.gz VBIXODLUDFRHGR-HLLBOEOZSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)C(=O)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420463068 446641191 /nfs/dbraw/zinc/64/11/91/446641191.db2.gz WCFROSJONNWHFZ-UHFFFAOYSA-N 2 0 341.477 1.214 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000418667815 446642386 /nfs/dbraw/zinc/64/23/86/446642386.db2.gz GXIHMYHKFGTBQY-DZJNRPSUSA-N 2 0 328.460 1.368 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418683215 446647764 /nfs/dbraw/zinc/64/77/64/446647764.db2.gz JOLJFZZOGNUXHE-FCGDIQPGSA-N 2 0 342.487 1.868 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418757599 446677029 /nfs/dbraw/zinc/67/70/29/446677029.db2.gz HRAICSZNQTYCAO-GOSISDBHSA-N 2 0 347.507 1.183 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)C2([NH3+])Cc3ccccc3C2)C[C@H](C)O1 ZINC000376695653 446657902 /nfs/dbraw/zinc/65/79/02/446657902.db2.gz RCCJIXFZVMSPAE-HOTGVXAUSA-N 2 0 345.487 1.488 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375240263 446663914 /nfs/dbraw/zinc/66/39/14/446663914.db2.gz WRAUUMQASFCQCE-QGZVFWFLSA-N 2 0 338.540 1.497 20 0 EDADRP CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000423730129 446664803 /nfs/dbraw/zinc/66/48/03/446664803.db2.gz NHEXHRKZQSUSPT-LJQANCHMSA-N 2 0 344.503 1.705 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000418743250 446665693 /nfs/dbraw/zinc/66/56/93/446665693.db2.gz SHPCNBNIMJMDKF-QWHCGFSZSA-N 2 0 336.427 1.111 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C[C@H]1CC ZINC000418748157 446668613 /nfs/dbraw/zinc/66/86/13/446668613.db2.gz KGBNQTMKQSGZHR-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000423743817 446673320 /nfs/dbraw/zinc/67/33/20/446673320.db2.gz MVISKZAUMGLCST-APWZRJJASA-N 2 0 344.503 1.948 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C2)C1 ZINC000418641872 446628978 /nfs/dbraw/zinc/62/89/78/446628978.db2.gz SRXIHQKWTQNWFA-HKUYNNGSSA-N 2 0 328.460 1.611 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418647512 446632126 /nfs/dbraw/zinc/63/21/26/446632126.db2.gz GRCHFWWFZGVEMF-WMZOPIPTSA-N 2 0 348.491 1.395 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418651094 446633309 /nfs/dbraw/zinc/63/33/09/446633309.db2.gz XXERMAIDYFTCBV-BBWFWOEESA-N 2 0 330.476 1.819 20 0 EDADRP O=C(Nc1cnn(CC[NH+]2CCCCC2)c1)C12CCC[NH+]1CCC2 ZINC000368193898 446700715 /nfs/dbraw/zinc/70/07/15/446700715.db2.gz OHFDHJLWJDHSIT-UHFFFAOYSA-N 2 0 331.464 1.936 20 0 EDADRP CSC[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C[C@H](O)CSC)CC2 ZINC000375316159 446714516 /nfs/dbraw/zinc/71/45/16/446714516.db2.gz WKMJAELFRXSCER-LSDHHAIUSA-N 2 0 348.578 1.222 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269364 446729141 /nfs/dbraw/zinc/72/91/41/446729141.db2.gz SSLXGESAWBHROD-MOPGFXCFSA-N 2 0 344.503 1.228 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)CCCc2cccnc2)CC1 ZINC000411814643 446679535 /nfs/dbraw/zinc/67/95/35/446679535.db2.gz DPLKFNWPQONVDV-INIZCTEOSA-N 2 0 332.492 1.983 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)CC[N@@H+]1C ZINC000371287913 446746206 /nfs/dbraw/zinc/74/62/06/446746206.db2.gz VCBUNZZIGRFGBE-VQHPVUNQSA-N 2 0 338.496 1.364 20 0 EDADRP COCC[C@@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@@H]1CCOC ZINC000368283184 446758957 /nfs/dbraw/zinc/75/89/57/446758957.db2.gz WDYMQTSRXVFNFP-HDICACEKSA-N 2 0 344.496 1.241 20 0 EDADRP COCC[C@](C)(O)C[NH2+]Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368253374 446741517 /nfs/dbraw/zinc/74/15/17/446741517.db2.gz LPNXYKQZNPBVAN-INIZCTEOSA-N 2 0 327.494 1.787 20 0 EDADRP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000454224900 446814050 /nfs/dbraw/zinc/81/40/50/446814050.db2.gz JJXATRFRAJHYDN-IYBDPMFKSA-N 2 0 334.464 1.997 20 0 EDADRP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000371375550 446814067 /nfs/dbraw/zinc/81/40/67/446814067.db2.gz VGZNLQKDMMEOOK-UHFFFAOYSA-N 2 0 331.460 1.720 20 0 EDADRP Cc1c(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cnn1C ZINC000424017292 446825283 /nfs/dbraw/zinc/82/52/83/446825283.db2.gz GDMQRRDDWCQVMF-UHFFFAOYSA-N 2 0 341.459 1.452 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424451934 446873500 /nfs/dbraw/zinc/87/35/00/446873500.db2.gz ICCRQABRRCVPQP-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCCC[NH+]2CCCC2)C1 ZINC000454536846 446905127 /nfs/dbraw/zinc/90/51/27/446905127.db2.gz GLERZXBMXQBNRS-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000419096419 446921581 /nfs/dbraw/zinc/92/15/81/446921581.db2.gz CGDSQTWBTRRFGK-PMPSAXMXSA-N 2 0 338.496 1.095 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]21 ZINC000371552510 446928860 /nfs/dbraw/zinc/92/88/60/446928860.db2.gz JBYLSNRKLBCKFR-IAGOWNOFSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419117550 446935166 /nfs/dbraw/zinc/93/51/66/446935166.db2.gz HLXWIYLUWVTGNF-JKSUJKDBSA-N 2 0 340.512 1.199 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)CC(C)C ZINC000419127743 446938887 /nfs/dbraw/zinc/93/88/87/446938887.db2.gz SGQFMYPHQYGNPZ-XHSDSOJGSA-N 2 0 340.512 1.116 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000419135119 446944731 /nfs/dbraw/zinc/94/47/31/446944731.db2.gz KMPZPSVKQDNVLG-HUUCEWRRSA-N 2 0 338.496 1.143 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C(C)(C)C ZINC000419138291 446949025 /nfs/dbraw/zinc/94/90/25/446949025.db2.gz SFJMMROTPSUZID-HUUCEWRRSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173650 446969880 /nfs/dbraw/zinc/96/98/80/446969880.db2.gz PJRIPSJUFMCEPZ-IKGGRYGDSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000419166603 446983933 /nfs/dbraw/zinc/98/39/33/446983933.db2.gz HOLSOEBSYKTQQC-JKSUJKDBSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000421012836 446986507 /nfs/dbraw/zinc/98/65/07/446986507.db2.gz QSZIIMBXIYSABT-GOSISDBHSA-N 2 0 341.540 1.654 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000419169948 446986830 /nfs/dbraw/zinc/98/68/30/446986830.db2.gz NBBREFMVAPZTCY-WBVHZDCISA-N 2 0 346.475 1.039 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000419267263 447043762 /nfs/dbraw/zinc/04/37/62/447043762.db2.gz IRVPKJJOQWYWRH-KRWDZBQOSA-N 2 0 348.491 1.244 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000372427971 447057746 /nfs/dbraw/zinc/05/77/46/447057746.db2.gz KMLGCQJCYFRVNL-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368712547 447059256 /nfs/dbraw/zinc/05/92/56/447059256.db2.gz OQMAPWWTVPWMGJ-ZACQAIPSSA-N 2 0 345.491 1.897 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000419406865 447156487 /nfs/dbraw/zinc/15/64/87/447156487.db2.gz JMEBAQPQIGGIJB-INIZCTEOSA-N 2 0 338.496 1.097 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1C ZINC000425357458 447125867 /nfs/dbraw/zinc/12/58/67/447125867.db2.gz QCPAIEIDGDRFFC-UHFFFAOYSA-N 2 0 349.523 1.811 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425473341 447180708 /nfs/dbraw/zinc/18/07/08/447180708.db2.gz JVHONZDRFBDCJA-IPMKNSEASA-N 2 0 342.487 1.997 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCCC[NH+](C)C1CC1 ZINC000455608291 447183780 /nfs/dbraw/zinc/18/37/80/447183780.db2.gz JTAAPTSEXSIWLS-OAHLLOKOSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419458033 447193252 /nfs/dbraw/zinc/19/32/52/447193252.db2.gz YHUYRDQNERTWOK-BRWVUGGUSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000419535866 447247126 /nfs/dbraw/zinc/24/71/26/447247126.db2.gz AFGXCZICGXBTLJ-UKRRQHHQSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H](CCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCCCC1 ZINC000419484635 447215116 /nfs/dbraw/zinc/21/51/16/447215116.db2.gz XFRGJCSZRGYVHU-IKGGRYGDSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C[N@@H+]1C1CC1 ZINC000372699550 447231807 /nfs/dbraw/zinc/23/18/07/447231807.db2.gz CUYFYZJEAOUTFP-WBVHZDCISA-N 2 0 345.491 1.724 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000377599144 447234769 /nfs/dbraw/zinc/23/47/69/447234769.db2.gz QQRJKZMSRGIEFM-NRSFXHEJSA-N 2 0 331.460 1.126 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000419513966 447235905 /nfs/dbraw/zinc/23/59/05/447235905.db2.gz NGOBVKVFRCAIGD-PMPSAXMXSA-N 2 0 328.501 1.203 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](CO)(C(C)C)C2)CC1 ZINC000377647014 447268492 /nfs/dbraw/zinc/26/84/92/447268492.db2.gz FAIFIVZMZQOLTQ-GOSISDBHSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@H]1CCC[N@@H+]1C1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000372825284 447303008 /nfs/dbraw/zinc/30/30/08/447303008.db2.gz MYMHKFIAPUKWIV-DOTOQJQBSA-N 2 0 345.491 1.897 20 0 EDADRP C[C@@H](CC[NH2+]C[C@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000379631021 447453030 /nfs/dbraw/zinc/45/30/30/447453030.db2.gz LQFZLJZIJXRYQF-HKUYNNGSSA-N 2 0 335.492 1.180 20 0 EDADRP C[C@@H](CCNC(=O)COC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379667741 447454080 /nfs/dbraw/zinc/45/40/80/447454080.db2.gz BUMQCZYMHMKQRA-INIZCTEOSA-N 2 0 333.476 1.782 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000458833262 447485448 /nfs/dbraw/zinc/48/54/48/447485448.db2.gz AOVNMDDLWIJJOU-QGZVFWFLSA-N 2 0 338.496 1.082 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000415523338 447495521 /nfs/dbraw/zinc/49/55/21/447495521.db2.gz YEMPPCWEADBPRN-OAHLLOKOSA-N 2 0 348.447 1.126 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000390748648 447496872 /nfs/dbraw/zinc/49/68/72/447496872.db2.gz RDSFYCROCXGBRJ-IEBWSBKVSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419938017 447502578 /nfs/dbraw/zinc/50/25/78/447502578.db2.gz WMRJTBFWKMWRSL-UXLLHSPISA-N 2 0 346.475 1.182 20 0 EDADRP C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC[NH2+]1 ZINC000390924639 447506134 /nfs/dbraw/zinc/50/61/34/447506134.db2.gz IWOSQKKZRFTOPL-UYAOXDASSA-N 2 0 345.487 1.926 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCC[NH2+]1 ZINC000390942806 447507120 /nfs/dbraw/zinc/50/71/20/447507120.db2.gz QZMHMQRYWUEERZ-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC000450365794 447469908 /nfs/dbraw/zinc/46/99/08/447469908.db2.gz QBPRIMMJRNJSFT-INIZCTEOSA-N 2 0 331.451 1.759 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCCc1cn(C)cn1)c1ccco1 ZINC000458770289 447474029 /nfs/dbraw/zinc/47/40/29/447474029.db2.gz NSLYWLULDAMDPZ-UKRRQHHQSA-N 2 0 333.436 1.984 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCC1 ZINC000457438460 447581708 /nfs/dbraw/zinc/58/17/08/447581708.db2.gz MIOJPMDHVDVEHK-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP CC(C)[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000393083965 447529185 /nfs/dbraw/zinc/52/91/85/447529185.db2.gz IIIZBCHHSYRCIX-RBUKOAKNSA-N 2 0 346.519 1.855 20 0 EDADRP O[C@H](C[NH2+]CCCn1cc(Br)cn1)C[NH+]1CCCC1 ZINC000394036021 447534422 /nfs/dbraw/zinc/53/44/22/447534422.db2.gz MGVFEEQTWBHHBY-CYBMUJFWSA-N 2 0 331.258 1.082 20 0 EDADRP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000427161346 447555411 /nfs/dbraw/zinc/55/54/11/447555411.db2.gz GKISYNUTSCGKKE-FUHWJXTLSA-N 2 0 347.459 1.553 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000398192914 447557058 /nfs/dbraw/zinc/55/70/58/447557058.db2.gz ZYOPEHHUYDJMGL-POAQFYNOSA-N 2 0 345.487 1.639 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H]1CC[NH2+]C1 ZINC000427269767 447572218 /nfs/dbraw/zinc/57/22/18/447572218.db2.gz NJEVXGOOXVBOBH-OAHLLOKOSA-N 2 0 346.475 1.775 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420088383 447594585 /nfs/dbraw/zinc/59/45/85/447594585.db2.gz BZJSGXFEIPVLQP-SFHVURJKSA-N 2 0 340.512 1.073 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCC(C)CC1 ZINC000458055097 447710206 /nfs/dbraw/zinc/71/02/06/447710206.db2.gz VEEDZFYEODCAAU-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422754714 447740535 /nfs/dbraw/zinc/74/05/35/447740535.db2.gz AQXCPLAFNIZBPA-ICSRJNTNSA-N 3 0 330.520 1.782 20 0 EDADRP COc1cc(OC)c(OC)cc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000422759029 447741381 /nfs/dbraw/zinc/74/13/81/447741381.db2.gz FJSDRZQIPFTCHZ-MSOLQXFVSA-N 2 0 336.432 1.569 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCCCn2ccnc2C)CC[NH2+]CC1 ZINC000422775541 447747243 /nfs/dbraw/zinc/74/72/43/447747243.db2.gz BSRDMVAXCGEPJC-HNNXBMFYSA-N 2 0 336.480 1.883 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CCC[C@@H]1C[NH3+])CC2 ZINC000422773566 447747634 /nfs/dbraw/zinc/74/76/34/447747634.db2.gz YRHSLHFFJVSDMN-WBVHZDCISA-N 2 0 333.476 1.779 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422777847 447748400 /nfs/dbraw/zinc/74/84/00/447748400.db2.gz GIVRYZBVJZUCKE-ZBFHGGJFSA-N 2 0 328.464 1.902 20 0 EDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000422802099 447754611 /nfs/dbraw/zinc/75/46/11/447754611.db2.gz AWDFGQNUKUTBIR-KDOFPFPSSA-N 2 0 347.484 1.425 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422824068 447760157 /nfs/dbraw/zinc/76/01/57/447760157.db2.gz GDZIAERHEOQDII-LSDHHAIUSA-N 2 0 336.480 1.738 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1 ZINC000422824109 447761169 /nfs/dbraw/zinc/76/11/69/447761169.db2.gz MXDNZMUINYYSGE-PMRDEQMMSA-N 2 0 334.460 1.727 20 0 EDADRP CCNC(=O)NC(=O)CN1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471843797 447814827 /nfs/dbraw/zinc/81/48/27/447814827.db2.gz IGNUDQWYHWAXMQ-SJORKVTESA-N 2 0 346.475 1.504 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[NH2+]CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422943481 447777976 /nfs/dbraw/zinc/77/79/76/447777976.db2.gz LPMAEQUTEIVNEA-ZQIUZPCESA-N 2 0 339.505 1.976 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)CC1 ZINC000430557164 447778474 /nfs/dbraw/zinc/77/84/74/447778474.db2.gz RXFWQNQMCCGGBU-UHFFFAOYSA-N 2 0 348.447 1.555 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431023652 447789985 /nfs/dbraw/zinc/78/99/85/447789985.db2.gz MOOKYMJBDCKUBJ-KURKYZTESA-N 2 0 338.540 1.674 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])C2=O)c(OC)c1 ZINC000423105325 447805815 /nfs/dbraw/zinc/80/58/15/447805815.db2.gz IDDTVEJIZJLPBL-ZENOOKHLSA-N 2 0 335.448 1.520 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487580473 447834368 /nfs/dbraw/zinc/83/43/68/447834368.db2.gz ZFKIKDHNQGBAKQ-DLBZAZTESA-N 2 0 340.512 1.395 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C(C)C ZINC000487702536 447836302 /nfs/dbraw/zinc/83/63/02/447836302.db2.gz ZTEOKFLNPOWWPU-DLBZAZTESA-N 2 0 340.512 1.394 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522924906 447864273 /nfs/dbraw/zinc/86/42/73/447864273.db2.gz MNTLXTGBEYGQFY-ZWKOTPCHSA-N 2 0 330.476 1.894 20 0 EDADRP O=C(NCC[NH+]1CC=CCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530304665 447856326 /nfs/dbraw/zinc/85/63/26/447856326.db2.gz WAEWCSZDEAKFMQ-IBGZPJMESA-N 2 0 329.444 1.002 20 0 EDADRP Cc1nc(N2CC[NH+]3CCC2CC3)cc(N2CC[NH+]3CCC2CC3)n1 ZINC000530325098 447860279 /nfs/dbraw/zinc/86/02/79/447860279.db2.gz SZKWTJXDPZISCQ-UHFFFAOYSA-N 2 0 342.491 1.354 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000496577838 447825084 /nfs/dbraw/zinc/82/50/84/447825084.db2.gz NUDPUSWVQVQACK-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000497164437 447911379 /nfs/dbraw/zinc/91/13/79/447911379.db2.gz QLWRQGGOOWOEFG-UHFFFAOYSA-N 2 0 342.528 1.907 20 0 EDADRP CC[C@@H](CSc1ccccc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570066316 447943007 /nfs/dbraw/zinc/94/30/07/447943007.db2.gz JTYKRDVWUVGVRZ-GJZGRUSLSA-N 2 0 336.505 1.842 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H]3CN(C)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000496843408 447960407 /nfs/dbraw/zinc/96/04/07/447960407.db2.gz AVCSNUQCJKIBPU-FMKPAKJESA-N 2 0 325.453 1.258 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574991 447917167 /nfs/dbraw/zinc/91/71/67/447917167.db2.gz QAYZLEHLTWORFK-QUCCMNQESA-N 2 0 345.487 1.470 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCC(CNC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000496816473 447937228 /nfs/dbraw/zinc/93/72/28/447937228.db2.gz CVNNSDYGZQXQRA-INIZCTEOSA-N 2 0 341.496 1.678 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576160595 447987165 /nfs/dbraw/zinc/98/71/65/447987165.db2.gz QFAOGSNBSYQVPY-FZKCQIBNSA-N 2 0 340.512 1.103 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000576091994 447968020 /nfs/dbraw/zinc/96/80/20/447968020.db2.gz OGRADVYLXPXPJN-HZPDHXFCSA-N 2 0 340.512 1.565 20 0 EDADRP CC1(C)[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000570271733 447974247 /nfs/dbraw/zinc/97/42/47/447974247.db2.gz XBUFAGUGEYLXKP-SJORKVTESA-N 2 0 331.460 1.392 20 0 EDADRP Cc1cc(NC(=O)NC[C@H]2CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000531189055 448035047 /nfs/dbraw/zinc/03/50/47/448035047.db2.gz LLTKULZQPOIJIM-OAHLLOKOSA-N 2 0 348.495 1.922 20 0 EDADRP O=C1O[C@@]2(CN1C[N@H+](C[C@H]1CCOC1)C1CC1)C[NH+]1CCC2CC1 ZINC000497284761 448038787 /nfs/dbraw/zinc/03/87/87/448038787.db2.gz IRDBLVXDXQOKNX-RDTXWAMCSA-N 2 0 335.448 1.361 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000531481413 448090726 /nfs/dbraw/zinc/09/07/26/448090726.db2.gz PZNIKCMNVDTZBW-HNNXBMFYSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000497006134 448114579 /nfs/dbraw/zinc/11/45/79/448114579.db2.gz WIYCVGQTLWKJOO-CVEARBPZSA-N 2 0 342.528 1.905 20 0 EDADRP Cn1cc(-c2ncc(C[N@@H+]3CCCC34CC[NH+](C)CC4)cn2)cn1 ZINC000526985039 448131785 /nfs/dbraw/zinc/13/17/85/448131785.db2.gz JIZZKFRDTOUYCS-UHFFFAOYSA-N 2 0 326.448 1.937 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000571303870 448132781 /nfs/dbraw/zinc/13/27/81/448132781.db2.gz BZBSJBNOLRANRQ-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H]1CC ZINC000514788929 448204166 /nfs/dbraw/zinc/20/41/66/448204166.db2.gz APDDGDRYQIGLIA-IEBWSBKVSA-N 2 0 345.487 1.833 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)CC[C@H]21 ZINC000497057632 448164152 /nfs/dbraw/zinc/16/41/52/448164152.db2.gz VSWIBFBXITUGSW-SUMDDJOVSA-N 2 0 348.491 1.277 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cncc(O)c1 ZINC000492517199 448228794 /nfs/dbraw/zinc/22/87/94/448228794.db2.gz DQJQVIPRBLDXRK-QWPQOLDESA-N 2 0 346.475 1.675 20 0 EDADRP C[C@H](CNC(=O)NCC1=CC[NH2+]CC1)N1CCc2sccc2C1 ZINC000582475488 448247040 /nfs/dbraw/zinc/24/70/40/448247040.db2.gz OSDKYOMKWYTVAW-CYBMUJFWSA-N 2 0 334.489 1.714 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CC[N@H+](C)C3)cc2)C[C@@H](C)O1 ZINC000591097610 448261282 /nfs/dbraw/zinc/26/12/82/448261282.db2.gz PCVHBSMOJMGEKF-MDZRGWNJSA-N 2 0 345.487 1.864 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000582723493 448321310 /nfs/dbraw/zinc/32/13/10/448321310.db2.gz HJFOIDBVRTVSSS-NVXWUHKLSA-N 2 0 333.480 1.612 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)c1 ZINC000591281875 448304897 /nfs/dbraw/zinc/30/48/97/448304897.db2.gz QSBLSGOUALLUTE-CZUORRHYSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000582789206 448340602 /nfs/dbraw/zinc/34/06/02/448340602.db2.gz VJBUHPUDIQBUBM-KUHUBIRLSA-N 2 0 348.466 1.897 20 0 EDADRP C[C@@]1(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)CCC[NH2+]1 ZINC000582787067 448340760 /nfs/dbraw/zinc/34/07/60/448340760.db2.gz VSIIEIFUQDLERT-IBGZPJMESA-N 2 0 345.491 1.725 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)N1CCC(CCCn2ccnc2)CC1 ZINC000515814499 448352960 /nfs/dbraw/zinc/35/29/60/448352960.db2.gz KCBYHWRHTQWSDT-UHFFFAOYSA-N 2 0 349.479 1.018 20 0 EDADRP C[NH+](C)CCCCC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000516011535 448368895 /nfs/dbraw/zinc/36/88/95/448368895.db2.gz OKJDIAOICBZJJG-UHFFFAOYSA-N 2 0 347.503 1.862 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000577723886 448369200 /nfs/dbraw/zinc/36/92/00/448369200.db2.gz IPTWUCKOUOBQJV-GOSISDBHSA-N 2 0 347.507 1.313 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@H]([NH3+])c1ccccc1 ZINC000577868629 448408586 /nfs/dbraw/zinc/40/85/86/448408586.db2.gz CKCRPDSGHGNRMK-XIRDDKMYSA-N 2 0 331.460 1.536 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[NH2+]C2CC2)C1 ZINC000516297019 448410735 /nfs/dbraw/zinc/41/07/35/448410735.db2.gz NNFGCONKKAZTLA-AWEZNQCLSA-N 2 0 330.432 1.074 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1cnc2ccccc21 ZINC000533505102 448412774 /nfs/dbraw/zinc/41/27/74/448412774.db2.gz MEMKNZJGOXUOJT-OAHLLOKOSA-N 2 0 331.464 1.549 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000572647263 448430921 /nfs/dbraw/zinc/43/09/21/448430921.db2.gz GVDMZXGSGJBPSL-FGTMMUONSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCC[C@H](C)C1 ZINC000578117348 448463733 /nfs/dbraw/zinc/46/37/33/448463733.db2.gz UUKQWAWVOTUWIV-VVLHAWIVSA-N 2 0 338.496 1.269 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000591727503 448473767 /nfs/dbraw/zinc/47/37/67/448473767.db2.gz DRIMXWPZJKWUSB-WMLDXEAASA-N 2 0 348.443 1.287 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000516783469 448474569 /nfs/dbraw/zinc/47/45/69/448474569.db2.gz BACRPJBXAGNVDF-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000572855470 448482233 /nfs/dbraw/zinc/48/22/33/448482233.db2.gz ZQJLWOBXDYSYJU-KGLIPLIRSA-N 2 0 336.505 1.794 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000573066197 448532572 /nfs/dbraw/zinc/53/25/72/448532572.db2.gz VYBUWMKXSJZILQ-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N(C)CCC[NH3+])CCCC2)CC1 ZINC000573189702 448562569 /nfs/dbraw/zinc/56/25/69/448562569.db2.gz RXJMMLOMLAQIAO-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)nc1 ZINC000584585877 448578605 /nfs/dbraw/zinc/57/86/05/448578605.db2.gz BJLRQOCTLOQUGV-MRXNPFEDSA-N 2 0 333.480 1.192 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[NH2+]1 ZINC000517712879 448606949 /nfs/dbraw/zinc/60/69/49/448606949.db2.gz LSYARHHWOYVYID-GDBMZVCRSA-N 2 0 337.489 1.704 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528714807 448641382 /nfs/dbraw/zinc/64/13/82/448641382.db2.gz RYRMJRXXUSFPHZ-MRXNPFEDSA-N 2 0 332.448 1.973 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000567226799 448642366 /nfs/dbraw/zinc/64/23/66/448642366.db2.gz FFLHQOJVNPHOEL-IEBWSBKVSA-N 4 0 330.520 1.958 20 0 EDADRP CN1CCN(C(=O)C[N@@H+]2CCC[C@@]3(CCc4ccccc4O3)C2)CC1 ZINC000528733491 448651675 /nfs/dbraw/zinc/65/16/75/448651675.db2.gz ILLNQUNVCZZRJZ-HXUWFJFHSA-N 2 0 343.471 1.620 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1(C)C ZINC000573557413 448656983 /nfs/dbraw/zinc/65/69/83/448656983.db2.gz AVNSYIDLAGHCJC-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000540964026 448659866 /nfs/dbraw/zinc/65/98/66/448659866.db2.gz QMOUSDFIDFUFSU-FQEVSTJZSA-N 2 0 345.487 1.472 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000579326226 448766760 /nfs/dbraw/zinc/76/67/60/448766760.db2.gz HAPRFDMRWWCCDG-INIZCTEOSA-N 2 0 334.489 1.249 20 0 EDADRP C[C@@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000519162004 448748906 /nfs/dbraw/zinc/74/89/06/448748906.db2.gz WQONOPZGZZFQAQ-QUCCMNQESA-N 2 0 330.520 1.877 20 0 EDADRP C[N@H+](CCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000567773737 448757337 /nfs/dbraw/zinc/75/73/37/448757337.db2.gz KCDAFHHTLCWWQT-CQSZACIVSA-N 2 0 334.468 1.024 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000567779370 448760162 /nfs/dbraw/zinc/76/01/62/448760162.db2.gz MWNDGXQRKVKDEJ-QAPCUYQASA-N 2 0 330.476 1.048 20 0 EDADRP C[C@@H](CC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCCC1 ZINC000574195367 448814303 /nfs/dbraw/zinc/81/43/03/448814303.db2.gz UZJXUWCBJBWPRX-BSDSXHPESA-N 2 0 327.513 1.311 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000519693831 448820586 /nfs/dbraw/zinc/82/05/86/448820586.db2.gz RHVHNZZDZKFPIY-HNNXBMFYSA-N 2 0 334.420 1.011 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000529320870 448821941 /nfs/dbraw/zinc/82/19/41/448821941.db2.gz GUNUBKBITSSSDQ-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000568199382 448836943 /nfs/dbraw/zinc/83/69/43/448836943.db2.gz VVMXNGCBTKLZBU-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP COC(=O)c1cc2cc(C[N@H+](C)CCN3CC[NH2+]CC3)ccc2o1 ZINC000592472279 448851748 /nfs/dbraw/zinc/85/17/48/448851748.db2.gz SKCVHZDVYHAHCH-UHFFFAOYSA-N 2 0 331.416 1.556 20 0 EDADRP CC[C@@H]1C[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@@H]1[NH3+] ZINC000592489684 448860432 /nfs/dbraw/zinc/86/04/32/448860432.db2.gz ZQNDKOKUDFLDTE-CVEARBPZSA-N 2 0 332.448 1.462 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC000520372328 448888950 /nfs/dbraw/zinc/88/89/50/448888950.db2.gz KKFNPKFWUOMVBR-OALUTQOASA-N 2 0 342.487 1.846 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592549076 448892879 /nfs/dbraw/zinc/89/28/79/448892879.db2.gz QUYBHCRWYNZHCJ-MRXNPFEDSA-N 2 0 341.459 1.363 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)CCN(C)c2cc[nH+]cc2)CCCO1 ZINC000569301460 448995250 /nfs/dbraw/zinc/99/52/50/448995250.db2.gz GOKDGNSJUDEXBW-INIZCTEOSA-N 2 0 334.464 1.525 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000582170943 449027904 /nfs/dbraw/zinc/02/79/04/449027904.db2.gz QQJNHMMXLRYLJT-GOSISDBHSA-N 2 0 347.507 1.274 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[N@@H+](C4CCCC4)CC3)c21 ZINC000592958319 449081345 /nfs/dbraw/zinc/08/13/45/449081345.db2.gz CDKJUPJOLOGOKB-OAHLLOKOSA-N 2 0 345.491 1.810 20 0 EDADRP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](CCN4CC[NH2+]CC4)C3)C2)cc1 ZINC000569609295 449057486 /nfs/dbraw/zinc/05/74/86/449057486.db2.gz XCYKSQXYAVDZDD-OAQYLSRUSA-N 3 0 342.531 1.880 20 0 EDADRP COCCN1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522190866 449061185 /nfs/dbraw/zinc/06/11/85/449061185.db2.gz RVDAZHSMNUVTQF-SFHVURJKSA-N 2 0 346.475 1.084 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@@H](C[NH+]4CCCCC4)C3)c21 ZINC000592964395 449087904 /nfs/dbraw/zinc/08/79/04/449087904.db2.gz JEQMUUQNZIUJJV-JKSUJKDBSA-N 2 0 345.491 1.667 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592966206 449089433 /nfs/dbraw/zinc/08/94/33/449089433.db2.gz WFHPARFDYPBGMZ-LZWOXQAQSA-N 2 0 333.480 1.522 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000530274627 449100762 /nfs/dbraw/zinc/10/07/62/449100762.db2.gz QRVTZZZNNWCTLB-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NC(=O)NC1CCCC1 ZINC000595901467 449241737 /nfs/dbraw/zinc/24/17/37/449241737.db2.gz WNAPLBYSOWWPOA-OAHLLOKOSA-N 2 0 336.480 1.466 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000590819036 449307868 /nfs/dbraw/zinc/30/78/68/449307868.db2.gz UYGGILLXODPTOC-ZWKOTPCHSA-N 2 0 328.497 1.595 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC000602120159 449361042 /nfs/dbraw/zinc/36/10/42/449361042.db2.gz MRHNLKGKQKMWFL-KRWDZBQOSA-N 2 0 338.540 1.591 20 0 EDADRP CCOC(=O)c1cnc(N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000596123552 449374432 /nfs/dbraw/zinc/37/44/32/449374432.db2.gz ORJVMZGDIVQNAR-GFCCVEGCSA-N 2 0 338.477 1.900 20 0 EDADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)C1(C[NH+](C)C)CC1 ZINC000602088122 449334873 /nfs/dbraw/zinc/33/48/73/449334873.db2.gz DPDRIYNPKXNAJE-UHFFFAOYSA-N 2 0 327.469 1.060 20 0 EDADRP C[C@H](NC(=O)NCCCC[NH+]1CCOCC1)C1CC[NH+](C)CC1 ZINC000606640102 449496158 /nfs/dbraw/zinc/49/61/58/449496158.db2.gz GQSNZUQTEHDVFT-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP COc1cncc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000602487967 449628099 /nfs/dbraw/zinc/62/80/99/449628099.db2.gz XSILSWUHDWNFHN-GOSISDBHSA-N 2 0 332.492 1.999 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000601350675 449863556 /nfs/dbraw/zinc/86/35/56/449863556.db2.gz ZWFNMWBBJVZKAD-OAHLLOKOSA-N 2 0 349.479 1.124 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000615083306 449942580 /nfs/dbraw/zinc/94/25/80/449942580.db2.gz FFKFLSMBIRCOBC-MRXNPFEDSA-N 2 0 349.519 1.963 20 0 EDADRP CC[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000612868225 449917669 /nfs/dbraw/zinc/91/76/69/449917669.db2.gz PUFOUQPWOLIPLB-PKOBYXMFSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@]1(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000612872865 449920443 /nfs/dbraw/zinc/92/04/43/449920443.db2.gz LTYZUSIXPDXSFC-SFHVURJKSA-N 2 0 334.439 1.841 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000617977402 449959107 /nfs/dbraw/zinc/95/91/07/449959107.db2.gz VRQBBAIMLMMRHN-SFHVURJKSA-N 2 0 332.492 1.996 20 0 EDADRP COC(=O)C[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000609625415 450074175 /nfs/dbraw/zinc/07/41/75/450074175.db2.gz JTCVGFBRSGDAAK-INIZCTEOSA-N 2 0 339.480 1.393 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+](C)C ZINC000610550927 450259366 /nfs/dbraw/zinc/25/93/66/450259366.db2.gz AZMYFEJDRIIJEG-LSDHHAIUSA-N 2 0 327.469 1.203 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+](C)C1 ZINC000623631726 450555144 /nfs/dbraw/zinc/55/51/44/450555144.db2.gz RTNAWOUWDRGDOC-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623632421 450555554 /nfs/dbraw/zinc/55/55/54/450555554.db2.gz ZWQOXGAFMPQBTB-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@H+](CCNS(=O)(=O)CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062201 450565862 /nfs/dbraw/zinc/56/58/62/450565862.db2.gz LERLIUPZHSANOZ-UHFFFAOYSA-N 2 0 327.494 1.509 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CCSC1 ZINC000623708267 450569319 /nfs/dbraw/zinc/56/93/19/450569319.db2.gz BIEATFGDUQCPBO-NVXWUHKLSA-N 2 0 340.537 1.740 20 0 EDADRP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624084742 450698925 /nfs/dbraw/zinc/69/89/25/450698925.db2.gz KOOCNSRDJKZEMO-WBVHZDCISA-N 2 0 346.475 1.642 20 0 EDADRP O=C(CC[N@H+]1CCC[C@@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000629551101 450732027 /nfs/dbraw/zinc/73/20/27/450732027.db2.gz SJQJPUPGDYBSKS-OAHLLOKOSA-N 2 0 337.414 1.966 20 0 EDADRP COc1cccc([C@H](CNC[C@@H](O)C[NH+]2CCCC2)[NH+]2CCCC2)c1 ZINC000629554772 450733577 /nfs/dbraw/zinc/73/35/77/450733577.db2.gz BGBJQQSUWXPGFP-QUCCMNQESA-N 2 0 347.503 1.878 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNS(=O)(=O)CCC[NH+](C)C ZINC000631744628 450746337 /nfs/dbraw/zinc/74/63/37/450746337.db2.gz WEVBSTWGDNGGGB-UHFFFAOYSA-N 2 0 341.521 1.898 20 0 EDADRP CCc1ccc([C@H](CNc2nc(N)[nH+]c(N)n2)[NH+](CC)CC)cc1 ZINC000624244020 450759685 /nfs/dbraw/zinc/75/96/85/450759685.db2.gz JYOZQTUFJOZZQB-AWEZNQCLSA-N 2 0 329.452 1.176 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624266091 450770933 /nfs/dbraw/zinc/77/09/33/450770933.db2.gz GCAJKGACUTZISN-IBGZPJMESA-N 2 0 332.492 1.745 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC000635267450 450796298 /nfs/dbraw/zinc/79/62/98/450796298.db2.gz PILQUEMPZAKAQB-UHFFFAOYSA-N 2 0 348.491 1.894 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000621751436 450857854 /nfs/dbraw/zinc/85/78/54/450857854.db2.gz GHSCXQCCFLCDRQ-CRAIPNDOSA-N 2 0 330.476 1.710 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)cc2)CC1 ZINC000627650364 450867976 /nfs/dbraw/zinc/86/79/76/450867976.db2.gz GZTLFLQQPOGUTC-BWTSREIZSA-N 2 0 342.487 1.461 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3C[C@H]4[C@@H](C3)[C@@H]4[NH+](C)C)CC2)CC1 ZINC000627655635 450871349 /nfs/dbraw/zinc/87/13/49/450871349.db2.gz ZMLKQDHGPYPVMJ-BWTSREIZSA-N 2 0 348.535 1.201 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000631943022 450900566 /nfs/dbraw/zinc/90/05/66/450900566.db2.gz LFHCMYPGGNRJAD-CVEARBPZSA-N 2 0 329.510 1.409 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000635408915 450916036 /nfs/dbraw/zinc/91/60/36/450916036.db2.gz QMXBANJZRSLWNT-RTBURBONSA-N 2 0 349.519 1.964 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(F)c[nH]c1=O ZINC000621880695 450917097 /nfs/dbraw/zinc/91/70/97/450917097.db2.gz PBDREWUXADPXBG-UHFFFAOYSA-N 2 0 326.416 1.272 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000626894537 450991132 /nfs/dbraw/zinc/99/11/32/450991132.db2.gz ZWSIBYRODSCVEY-YOEHRIQHSA-N 2 0 346.475 1.724 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nnc(C)o1 ZINC000635463589 450963488 /nfs/dbraw/zinc/96/34/88/450963488.db2.gz AHVPBTFEAYTDFE-HNNXBMFYSA-N 2 0 337.468 1.185 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC000632018457 450971262 /nfs/dbraw/zinc/97/12/62/450971262.db2.gz CERXYBXESWWYNY-JKSUJKDBSA-N 2 0 331.526 1.607 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635472141 450971321 /nfs/dbraw/zinc/97/13/21/450971321.db2.gz ABKKDQNRUBPYHJ-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000626920768 451004993 /nfs/dbraw/zinc/00/49/93/451004993.db2.gz KMDGDTDRGBPKAP-SJLPKXTDSA-N 2 0 346.475 1.883 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934074 451016683 /nfs/dbraw/zinc/01/66/83/451016683.db2.gz AVNNSNYAJLNTRH-SFHVURJKSA-N 2 0 348.491 1.701 20 0 EDADRP CC[C@H](CNC(=O)NCCOCC[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000626934630 451017570 /nfs/dbraw/zinc/01/75/70/451017570.db2.gz KLLDCSMEKIZLGJ-GOSISDBHSA-N 2 0 348.491 1.359 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000626950297 451029363 /nfs/dbraw/zinc/02/93/63/451029363.db2.gz WDZFMHIYEHWJTK-MAUKXSAKSA-N 2 0 330.476 1.948 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626971332 451042147 /nfs/dbraw/zinc/04/21/47/451042147.db2.gz FCWJFHZRXILKRC-KBPBESRZSA-N 2 0 326.485 1.316 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632127883 451055937 /nfs/dbraw/zinc/05/59/37/451055937.db2.gz KXPYDLJWBJAOPJ-HOCLYGCPSA-N 2 0 329.510 1.217 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNS(=O)(=O)CC2(N(C)C)CC2)C1 ZINC000632127038 451056129 /nfs/dbraw/zinc/05/61/29/451056129.db2.gz KKDABZRXKQAZDT-OAHLLOKOSA-N 2 0 331.526 1.368 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000626994633 451060828 /nfs/dbraw/zinc/06/08/28/451060828.db2.gz GYSZAADRKHUMQB-UHFFFAOYSA-N 2 0 340.512 1.552 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627022995 451086992 /nfs/dbraw/zinc/08/69/92/451086992.db2.gz GYOURDLPTVGNMS-FGTMMUONSA-N 2 0 330.476 1.948 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000627027658 451088905 /nfs/dbraw/zinc/08/89/05/451088905.db2.gz WONXDLMKPZTLCS-INIZCTEOSA-N 2 0 338.496 1.591 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000626978434 451047725 /nfs/dbraw/zinc/04/77/25/451047725.db2.gz CUWPFWSFEQHZIX-QGZVFWFLSA-N 2 0 346.475 1.458 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)[C@@H](C)C1 ZINC000626981182 451049813 /nfs/dbraw/zinc/04/98/13/451049813.db2.gz YNYOHLBEOHNIMU-HZMVEIRTSA-N 2 0 340.512 1.563 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000635552528 451049999 /nfs/dbraw/zinc/04/99/99/451049999.db2.gz TVEQBLAQMOTNRX-GOSISDBHSA-N 2 0 348.535 1.489 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000627103751 451124898 /nfs/dbraw/zinc/12/48/98/451124898.db2.gz MOMKIFAEBGJMJK-UHFFFAOYSA-N 2 0 338.496 1.017 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000627111605 451128097 /nfs/dbraw/zinc/12/80/97/451128097.db2.gz CWRLABHQTXSDTQ-WMLDXEAASA-N 2 0 331.464 1.343 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[NH2+]1 ZINC000627113438 451130296 /nfs/dbraw/zinc/13/02/96/451130296.db2.gz AERRNRYMRXEBMA-KKBVYLPWSA-N 2 0 334.439 1.711 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627113520 451130711 /nfs/dbraw/zinc/13/07/11/451130711.db2.gz BMJPRVSWGWDDAM-KURKYZTESA-N 2 0 348.466 1.911 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627115279 451131800 /nfs/dbraw/zinc/13/18/00/451131800.db2.gz SLBMSUQOZWJRQO-WCZJQEMASA-N 2 0 346.475 1.580 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627203692 451184996 /nfs/dbraw/zinc/18/49/96/451184996.db2.gz PCTRYKKIIFVHIV-NVXWUHKLSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627214913 451191302 /nfs/dbraw/zinc/19/13/02/451191302.db2.gz APLABQSUZAYBBX-DLBZAZTESA-N 2 0 348.491 1.656 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627214915 451191457 /nfs/dbraw/zinc/19/14/57/451191457.db2.gz APLABQSUZAYBBX-IRXDYDNUSA-N 2 0 348.491 1.656 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000635719423 451197495 /nfs/dbraw/zinc/19/74/95/451197495.db2.gz LKGSMDMQSXVHHG-SJLPKXTDSA-N 2 0 349.519 1.820 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635753710 451220279 /nfs/dbraw/zinc/22/02/79/451220279.db2.gz RQPZGAVRFBTACI-UHFFFAOYSA-N 2 0 339.524 1.925 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000638084187 451248366 /nfs/dbraw/zinc/24/83/66/451248366.db2.gz DEPCGJNEGWVYCY-CRAIPNDOSA-N 2 0 333.476 1.802 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638085543 451249556 /nfs/dbraw/zinc/24/95/56/451249556.db2.gz MKFZCDZTGLTBKV-LSDHHAIUSA-N 2 0 331.464 1.662 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638086930 451251421 /nfs/dbraw/zinc/25/14/21/451251421.db2.gz XPFUVWBRZJHJML-RBUKOAKNSA-N 2 0 346.519 1.682 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260798 451254230 /nfs/dbraw/zinc/25/42/30/451254230.db2.gz WDURHUVFEMPENL-IAGOWNOFSA-N 3 0 339.528 1.186 20 0 EDADRP C[C@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091647 451257541 /nfs/dbraw/zinc/25/75/41/451257541.db2.gz PGABUHWJUNSVPG-YJBOKZPZSA-N 2 0 332.492 1.292 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638095963 451261666 /nfs/dbraw/zinc/26/16/66/451261666.db2.gz DNTBEPMCYPXAQW-UHFFFAOYSA-N 2 0 344.410 1.210 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000640337469 451269050 /nfs/dbraw/zinc/26/90/50/451269050.db2.gz POFHDHNINQFBPL-UHFFFAOYSA-N 2 0 348.491 1.448 20 0 EDADRP CC(C)C[N@H+](CCN(C)C)CCn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000630609983 451273841 /nfs/dbraw/zinc/27/38/41/451273841.db2.gz GVKUMSJZKPCKTP-UHFFFAOYSA-N 2 0 344.507 1.923 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638112843 451280643 /nfs/dbraw/zinc/28/06/43/451280643.db2.gz VUCYVWLEDSVEPC-INIZCTEOSA-N 2 0 329.488 1.969 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638112898 451281358 /nfs/dbraw/zinc/28/13/58/451281358.db2.gz WPNPJGPIKCDCLP-CMKODMSKSA-N 2 0 345.487 1.734 20 0 EDADRP COC[C@@]1(C(=O)NCCCCC[NH+]2CCCCC2)CCCC[NH2+]1 ZINC000638114572 451282505 /nfs/dbraw/zinc/28/25/05/451282505.db2.gz XOWVCDXJULEZJQ-GOSISDBHSA-N 2 0 325.497 1.918 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114445 451283471 /nfs/dbraw/zinc/28/34/71/451283471.db2.gz JMEAHYFEXPNFPM-BLLLJJGKSA-N 2 0 343.468 1.635 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000638125573 451295978 /nfs/dbraw/zinc/29/59/78/451295978.db2.gz FNXJJBWJTXEUPQ-AOIWGVFYSA-N 2 0 331.460 1.486 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638127219 451296674 /nfs/dbraw/zinc/29/66/74/451296674.db2.gz IJGPZGREGSAZBH-NSHDSACASA-N 2 0 344.410 1.212 20 0 EDADRP CC(C)(CNC(=O)C(C)(C)C[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000635849712 451297703 /nfs/dbraw/zinc/29/77/03/451297703.db2.gz PVCKRAKTLIVCCE-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)c1ccc(Cl)cc1 ZINC000638134812 451307474 /nfs/dbraw/zinc/30/74/74/451307474.db2.gz QDJQYJOHLLRZSW-AWEZNQCLSA-N 2 0 333.823 1.621 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137409 451310987 /nfs/dbraw/zinc/31/09/87/451310987.db2.gz KCHSMCXHZRBHGY-KBPBESRZSA-N 2 0 336.455 1.753 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000638137377 451311601 /nfs/dbraw/zinc/31/16/01/451311601.db2.gz JOQARTONMOLWGU-AEFFLSMTSA-N 2 0 332.492 1.479 20 0 EDADRP CO[C@]1(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOC1 ZINC000638151529 451324621 /nfs/dbraw/zinc/32/46/21/451324621.db2.gz FJVMLNNTFXTURP-SFHVURJKSA-N 2 0 325.497 1.282 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000638203331 451353758 /nfs/dbraw/zinc/35/37/58/451353758.db2.gz FATKNDRBHIVJIC-IAGOWNOFSA-N 2 0 344.503 1.579 20 0 EDADRP CO[C@H](C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CCOC1 ZINC000638273089 451391601 /nfs/dbraw/zinc/39/16/01/451391601.db2.gz FGCGAJNYTABFGK-XUVXKRRUSA-N 2 0 347.503 1.616 20 0 EDADRP C[C@H](NC(=O)[C@]1(C[NH3+])CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310005 451424535 /nfs/dbraw/zinc/42/45/35/451424535.db2.gz UYOPSNKNEVENGX-QRFRQXIXSA-N 2 0 345.487 1.769 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)cn1 ZINC000638328832 451437448 /nfs/dbraw/zinc/43/74/48/451437448.db2.gz LGBJTQADXOVQDE-KRWDZBQOSA-N 2 0 329.448 1.655 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638363991 451461805 /nfs/dbraw/zinc/46/18/05/451461805.db2.gz UXOIENKEMPQWNO-ZDUSSCGKSA-N 2 0 328.407 1.359 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638376039 451471366 /nfs/dbraw/zinc/47/13/66/451471366.db2.gz GYQSFXHRRUYLLO-SFHVURJKSA-N 2 0 332.492 1.246 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000638375313 451472061 /nfs/dbraw/zinc/47/20/61/451472061.db2.gz XFQHVSXTKPLSHI-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP CC1CC[NH+](CCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700162 451473494 /nfs/dbraw/zinc/47/34/94/451473494.db2.gz UVMUYUBGTIMQTR-HXUWFJFHSA-N 2 0 331.504 1.945 20 0 EDADRP O[C@]1(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+](Cc2ccccc2)C1 ZINC000634699931 451474433 /nfs/dbraw/zinc/47/44/33/451474433.db2.gz QQYWZRFDBOJUOU-UFYCRDLUSA-N 2 0 329.488 1.840 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636782300 451503763 /nfs/dbraw/zinc/50/37/63/451503763.db2.gz RDSGTPZGMASCTO-DOTOQJQBSA-N 2 0 348.491 1.482 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCc3ccc(C(N)=O)cc3)c2)CC1 ZINC000630961274 451509781 /nfs/dbraw/zinc/50/97/81/451509781.db2.gz NSVZZPAWPHQECJ-UHFFFAOYSA-N 2 0 325.416 1.544 20 0 EDADRP c1cc(N2CCN(CCC[NH2+]CCC3CCOCC3)CC2)cc[nH+]1 ZINC000638461703 451526941 /nfs/dbraw/zinc/52/69/41/451526941.db2.gz FWRKGBNEWKOCQS-UHFFFAOYSA-N 2 0 332.492 2.000 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638512993 451552438 /nfs/dbraw/zinc/55/24/38/451552438.db2.gz KKNZLNBFPOCWDF-QZTJIDSGSA-N 2 0 331.460 1.344 20 0 EDADRP COc1cc(F)cc(OC)c1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000631067439 451565324 /nfs/dbraw/zinc/56/53/24/451565324.db2.gz LTICSZBKOSIBPA-CYBMUJFWSA-N 2 0 325.428 1.568 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638539347 451567009 /nfs/dbraw/zinc/56/70/09/451567009.db2.gz OCDAHQWRFQOYSA-MRXNPFEDSA-N 2 0 349.450 1.662 20 0 EDADRP CC(C)n1ncnc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000631080256 451572795 /nfs/dbraw/zinc/57/27/95/451572795.db2.gz VJBZMLNODSYKJZ-UHFFFAOYSA-N 2 0 334.512 1.899 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNCc2ccc(S(N)(=O)=O)o2)c1 ZINC000638563940 451578773 /nfs/dbraw/zinc/57/87/73/451578773.db2.gz UIIMYOXBFCWLCC-UHFFFAOYSA-N 2 0 337.445 1.669 20 0 EDADRP CC[C@@](C)([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836460 451621313 /nfs/dbraw/zinc/62/13/13/451621313.db2.gz FDWRIOPHIRDSGE-CRAIPNDOSA-N 2 0 344.463 1.281 20 0 EDADRP CC[C@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640837175 451623241 /nfs/dbraw/zinc/62/32/41/451623241.db2.gz OBJASNLHUOLQOP-HOCLYGCPSA-N 2 0 330.436 1.107 20 0 EDADRP O=C1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCN1 ZINC000634975424 451633548 /nfs/dbraw/zinc/63/35/48/451633548.db2.gz YFTAINPASPGUSR-ROUUACIJSA-N 2 0 331.460 1.402 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCOC1 ZINC000638718603 451665166 /nfs/dbraw/zinc/66/51/66/451665166.db2.gz JDLRFJZJAXLQLE-AZUAARDMSA-N 2 0 348.487 1.784 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000632907148 451643620 /nfs/dbraw/zinc/64/36/20/451643620.db2.gz BCFDSAUGYVXMPR-HUUCEWRRSA-N 2 0 331.464 1.700 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000632912546 451647130 /nfs/dbraw/zinc/64/71/30/451647130.db2.gz RAGWWUJYVCYYGH-HOTGVXAUSA-N 2 0 332.448 1.985 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632926078 451655163 /nfs/dbraw/zinc/65/51/63/451655163.db2.gz PECDIHHDOHKMAI-IRXDYDNUSA-N 2 0 346.500 1.856 20 0 EDADRP CO[C@]1(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCOC1 ZINC000638692650 451655935 /nfs/dbraw/zinc/65/59/35/451655935.db2.gz KMSZUYQIQIGLFO-SFHVURJKSA-N 2 0 325.497 1.332 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782780 451690081 /nfs/dbraw/zinc/69/00/81/451690081.db2.gz BMDOWCXINCIEMQ-ROUUACIJSA-N 2 0 331.460 1.694 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCOc3ccc(C[NH3+])cc32)c1 ZINC000638807467 451697692 /nfs/dbraw/zinc/69/76/92/451697692.db2.gz JEDBTAKYOFWZGE-MRXNPFEDSA-N 2 0 341.411 1.449 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000638831145 451704472 /nfs/dbraw/zinc/70/44/72/451704472.db2.gz IVINNRPGFWOSOQ-UONOGXRCSA-N 2 0 347.381 1.788 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000638833997 451705658 /nfs/dbraw/zinc/70/56/58/451705658.db2.gz BYNFPGFUVQECDP-BPQIPLTHSA-N 2 0 331.460 1.249 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850370 451710578 /nfs/dbraw/zinc/71/05/78/451710578.db2.gz DUGPDXIBMREGST-RBUKOAKNSA-N 2 0 345.487 1.926 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852686 451711258 /nfs/dbraw/zinc/71/12/58/451711258.db2.gz ZSPFWXSQHGPSAJ-OTWHNJEPSA-N 2 0 345.487 1.911 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637079515 451712536 /nfs/dbraw/zinc/71/25/36/451712536.db2.gz YXQMKFYUNPLBMA-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCCC[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000632961508 451670232 /nfs/dbraw/zinc/67/02/32/451670232.db2.gz SELKAKIAUSBQOE-AWEZNQCLSA-N 2 0 334.468 1.804 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3[NH2+]CCc4ccccc43)cn2)CC1 ZINC000638977319 451744192 /nfs/dbraw/zinc/74/41/92/451744192.db2.gz KQICVWXNJBAICD-GOSISDBHSA-N 2 0 339.443 1.975 20 0 EDADRP Cc1noc(CCCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638988369 451747758 /nfs/dbraw/zinc/74/77/58/451747758.db2.gz XEKBJIXAMYYROE-UHFFFAOYSA-N 2 0 330.392 1.144 20 0 EDADRP O=C(Cc1c(F)cccc1F)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987948 451747869 /nfs/dbraw/zinc/74/78/69/451747869.db2.gz OTQAVHJWBLXDJV-UHFFFAOYSA-N 2 0 332.354 1.951 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006333 451751804 /nfs/dbraw/zinc/75/18/04/451751804.db2.gz VXJLROZJPRUNRE-CVEARBPZSA-N 2 0 337.414 1.930 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C[NH3+])Cc3ccccc32)c1 ZINC000639020940 451752914 /nfs/dbraw/zinc/75/29/14/451752914.db2.gz BYWHSFMYJMRERO-QAPCUYQASA-N 2 0 339.439 1.729 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639025905 451754165 /nfs/dbraw/zinc/75/41/65/451754165.db2.gz VFSIMMYEZZJXMF-IRXDYDNUSA-N 2 0 335.492 1.622 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000641215650 451784882 /nfs/dbraw/zinc/78/48/82/451784882.db2.gz CPWMXSZYGZRENI-INMHGKMJSA-N 2 0 337.512 1.066 20 0 EDADRP CO[C@@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000639204966 451791396 /nfs/dbraw/zinc/79/13/96/451791396.db2.gz HECRRXAEYQXZBN-LJQANCHMSA-N 2 0 347.503 1.826 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000639206170 451791474 /nfs/dbraw/zinc/79/14/74/451791474.db2.gz NLXPJLIGPOPVGP-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000637372625 451804139 /nfs/dbraw/zinc/80/41/39/451804139.db2.gz LRQREQYDKCHXGZ-INIZCTEOSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1cc(NCCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)nc(C(C)C)n1 ZINC000637413603 451842172 /nfs/dbraw/zinc/84/21/72/451842172.db2.gz VOODRBHTSCIBEV-OAHLLOKOSA-N 2 0 348.495 2.056 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCC(=O)Nc2ccccc2)CC1 ZINC000644563004 451864118 /nfs/dbraw/zinc/86/41/18/451864118.db2.gz LWDIXJRQZFKQRS-KRWDZBQOSA-N 2 0 332.492 1.878 20 0 EDADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000644563212 451864605 /nfs/dbraw/zinc/86/46/05/451864605.db2.gz SYEZEFYLTJICFQ-KSSFIOAISA-N 2 0 334.460 1.949 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1cn2ccccc2n1 ZINC000653356346 451869171 /nfs/dbraw/zinc/86/91/71/451869171.db2.gz NHMRZGQMKQVYIW-UHFFFAOYSA-N 2 0 345.447 1.045 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000637471596 451889319 /nfs/dbraw/zinc/88/93/19/451889319.db2.gz WGDBARXINBKQLA-VYDXJSESSA-N 2 0 338.496 1.100 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](OC)C1 ZINC000637544929 451932731 /nfs/dbraw/zinc/93/27/31/451932731.db2.gz CJSXGTSGMRNYLI-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733454 451942286 /nfs/dbraw/zinc/94/22/86/451942286.db2.gz POUWRPNCYQLGKB-KRWDZBQOSA-N 2 0 346.475 1.056 20 0 EDADRP CC1(OCC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[NH2+]C1 ZINC000649287856 451960840 /nfs/dbraw/zinc/96/08/40/451960840.db2.gz DEVPEHDZOUBLPH-UHFFFAOYSA-N 2 0 335.423 1.285 20 0 EDADRP CC[C@@H](CNC(=O)[C@]1(COC)CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000649292851 451969418 /nfs/dbraw/zinc/96/94/18/451969418.db2.gz GWZLECCFGYEDBR-AZUAARDMSA-N 2 0 345.487 1.708 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)c1 ZINC000649306280 451983473 /nfs/dbraw/zinc/98/34/73/451983473.db2.gz JUCRMFZWVWDWEQ-QGZVFWFLSA-N 2 0 346.475 1.094 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC000649306915 451984015 /nfs/dbraw/zinc/98/40/15/451984015.db2.gz ZBQAYFQYVZCUPM-ZZCKCESHSA-N 2 0 347.507 1.268 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCC[NH2+]1 ZINC000649311054 451989448 /nfs/dbraw/zinc/98/94/48/451989448.db2.gz XYAWDIFHVBPIIR-PKOBYXMFSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000649311867 451990179 /nfs/dbraw/zinc/99/01/79/451990179.db2.gz XWGLHRLZOJSERJ-MAUKXSAKSA-N 2 0 330.476 1.545 20 0 EDADRP CC1([NH3+])CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000646991589 451991084 /nfs/dbraw/zinc/99/10/84/451991084.db2.gz GUURXFRYEWYULR-UHFFFAOYSA-N 2 0 344.503 1.929 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCCC1)[C@@H]1C[NH2+]CCOC1 ZINC000649312635 451991228 /nfs/dbraw/zinc/99/12/28/451991228.db2.gz BQGNERXDDZJMPI-LJQANCHMSA-N 2 0 345.487 1.915 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@](C)(O)CC[NH+](C)C)o1 ZINC000642949960 451997410 /nfs/dbraw/zinc/99/74/10/451997410.db2.gz FTSVINUBZAPBQQ-KRWDZBQOSA-N 2 0 325.453 1.554 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649323390 452003672 /nfs/dbraw/zinc/00/36/72/452003672.db2.gz ZHFUJRXRRKJWNH-KRWDZBQOSA-N 2 0 331.460 1.345 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000649327238 452007195 /nfs/dbraw/zinc/00/71/95/452007195.db2.gz SKWHWUPEHAXLDG-BMFZPTHFSA-N 2 0 331.464 1.576 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350100 452032815 /nfs/dbraw/zinc/03/28/15/452032815.db2.gz FCCUYRIXBKPRHT-OALUTQOASA-N 2 0 344.503 1.425 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352630 452037189 /nfs/dbraw/zinc/03/71/89/452037189.db2.gz AXFOJUBHPBDJIN-PKOBYXMFSA-N 2 0 330.476 1.099 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000647085118 452052391 /nfs/dbraw/zinc/05/23/91/452052391.db2.gz NGJDJHVPZCHIDO-HOTGVXAUSA-N 2 0 342.447 1.240 20 0 EDADRP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)n1 ZINC000649412858 452075866 /nfs/dbraw/zinc/07/58/66/452075866.db2.gz BTQWDJAITZEJNE-QGZVFWFLSA-N 2 0 333.480 1.176 20 0 EDADRP Cc1nccn1[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000649412995 452075899 /nfs/dbraw/zinc/07/58/99/452075899.db2.gz HCKNQGXKAZWRSS-FHWLQOOXSA-N 2 0 328.460 1.759 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)CC1 ZINC000649414945 452077619 /nfs/dbraw/zinc/07/76/19/452077619.db2.gz AQVIMBNFMXVFIF-WMZOPIPTSA-N 2 0 336.524 1.439 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637802076 452091039 /nfs/dbraw/zinc/09/10/39/452091039.db2.gz OZMZHJQABZODQA-HBFSDRIKSA-N 2 0 343.471 1.345 20 0 EDADRP [NH3+]C1(CC(=O)NC[C@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000637817363 452098148 /nfs/dbraw/zinc/09/81/48/452098148.db2.gz UTOQOSDZBNWESE-GOSISDBHSA-N 2 0 344.503 1.628 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)[C@@H]2C1 ZINC000645000343 452106815 /nfs/dbraw/zinc/10/68/15/452106815.db2.gz LNLIHHRBRBLSBJ-XJKSGUPXSA-N 2 0 326.404 1.825 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181851 452110512 /nfs/dbraw/zinc/11/05/12/452110512.db2.gz VYYOWULBZVIJAK-FHLIZLRMSA-N 2 0 331.460 1.651 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637844023 452112229 /nfs/dbraw/zinc/11/22/29/452112229.db2.gz IWHFZVVAYKKNNM-AWEZNQCLSA-N 2 0 347.463 1.407 20 0 EDADRP CCCN1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000643294261 452120690 /nfs/dbraw/zinc/12/06/90/452120690.db2.gz UEZZDEGFVHYQEM-QGZVFWFLSA-N 2 0 333.476 1.975 20 0 EDADRP Cc1c(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)nnn1C1CC[NH2+]CC1 ZINC000645104570 452154276 /nfs/dbraw/zinc/15/42/76/452154276.db2.gz OUHWZWYZQQEBMV-HOCLYGCPSA-N 2 0 346.479 1.115 20 0 EDADRP CCCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645155051 452182697 /nfs/dbraw/zinc/18/26/97/452182697.db2.gz VMPFPISVPNLNKO-KRWDZBQOSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654012808 452204065 /nfs/dbraw/zinc/20/40/65/452204065.db2.gz FAYPXJPWXJKMSR-JNSHFYNHSA-N 2 0 347.463 1.309 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CN(C)CCO1 ZINC000643474920 452240905 /nfs/dbraw/zinc/24/09/05/452240905.db2.gz NOQWEEUTVHPPPF-WLWJZTKJSA-N 2 0 331.460 1.551 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](CO)CCOC)CC1 ZINC000641767152 452243157 /nfs/dbraw/zinc/24/31/57/452243157.db2.gz YXZFGHYWADNNEJ-SFHVURJKSA-N 2 0 335.492 1.706 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000643481261 452244532 /nfs/dbraw/zinc/24/45/32/452244532.db2.gz AWSCMBXXEQCIPM-WMLDXEAASA-N 2 0 337.489 1.704 20 0 EDADRP CCN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663543672 452248103 /nfs/dbraw/zinc/24/81/03/452248103.db2.gz OOKBZAPXVGXRKE-OWCLPIDISA-N 2 0 340.512 1.610 20 0 EDADRP CCCn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000657464361 452267287 /nfs/dbraw/zinc/26/72/87/452267287.db2.gz XPXHVYRQNAJIHZ-MQVJKMGUSA-N 2 0 333.480 1.466 20 0 EDADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)N1CC[NH2+]CC1 ZINC000641796774 452271726 /nfs/dbraw/zinc/27/17/26/452271726.db2.gz KEYDMWYAKYODHC-SJORKVTESA-N 2 0 335.492 1.622 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000659431473 452277557 /nfs/dbraw/zinc/27/75/57/452277557.db2.gz NCKWXXRFUMFSQK-ARFHVFGLSA-N 2 0 348.491 1.703 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549117 452278156 /nfs/dbraw/zinc/27/81/56/452278156.db2.gz IVYMMZUIFPHGOY-KFKAGJAMSA-N 2 0 344.503 1.472 20 0 EDADRP Cc1ccc(C[N@H+](CC2CC2)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cn1 ZINC000647552496 452279355 /nfs/dbraw/zinc/27/93/55/452279355.db2.gz BRSSFGNEFCECHM-SFHVURJKSA-N 2 0 330.476 1.799 20 0 EDADRP C[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487879 452284151 /nfs/dbraw/zinc/28/41/51/452284151.db2.gz OOCCLJRUGSWLMO-XUWVNRHRSA-N 2 0 325.497 1.626 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[N@@H+](C)C(C)(C)C3)nc12 ZINC000641810873 452291301 /nfs/dbraw/zinc/29/13/01/452291301.db2.gz FBQUHLAQLIZQQF-UHFFFAOYSA-N 2 0 329.448 1.921 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000659445229 452293315 /nfs/dbraw/zinc/29/33/15/452293315.db2.gz GQCFDLYDMUGHNM-MRXNPFEDSA-N 2 0 348.495 1.006 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)ccc21 ZINC000655505202 452303133 /nfs/dbraw/zinc/30/31/33/452303133.db2.gz SCMNQVLSIAEZEC-CYBMUJFWSA-N 2 0 328.338 1.610 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652117684 452311592 /nfs/dbraw/zinc/31/15/92/452311592.db2.gz RGXSLBWBMTUPNL-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H](CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1)[NH+](C)C ZINC000663586526 452312405 /nfs/dbraw/zinc/31/24/05/452312405.db2.gz XUVJUSLTOCTBQL-OAHLLOKOSA-N 2 0 336.480 1.766 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000661507862 452313029 /nfs/dbraw/zinc/31/30/29/452313029.db2.gz LWCQYHPWMHXQBJ-HNNXBMFYSA-N 2 0 331.464 1.786 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659476734 452336580 /nfs/dbraw/zinc/33/65/80/452336580.db2.gz FOFCFCBYABRMOB-UHFFFAOYSA-N 2 0 329.448 1.431 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638062293 452354543 /nfs/dbraw/zinc/35/45/43/452354543.db2.gz DUSAVQLQDINUSZ-UYAOXDASSA-N 2 0 345.487 1.843 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCSC1 ZINC000652163244 452357437 /nfs/dbraw/zinc/35/74/37/452357437.db2.gz FPGKYVJIWITIQN-CWRNSKLLSA-N 2 0 326.510 1.194 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000652170563 452367021 /nfs/dbraw/zinc/36/70/21/452367021.db2.gz JAFFBWXJFZFOQR-JKSUJKDBSA-N 2 0 338.496 1.183 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000638073561 452383782 /nfs/dbraw/zinc/38/37/82/452383782.db2.gz FFYXMWAJQXWMHD-KSZLIROESA-N 2 0 330.476 1.189 20 0 EDADRP C[C@@H](NC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1=CC[N@H+](C)CC1 ZINC000645422604 452392675 /nfs/dbraw/zinc/39/26/75/452392675.db2.gz OWNRVYCPNUWLRK-OAHLLOKOSA-N 2 0 336.480 1.143 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638081300 452397896 /nfs/dbraw/zinc/39/78/96/452397896.db2.gz WZWSYJBRODXYQY-UYAOXDASSA-N 2 0 345.487 1.913 20 0 EDADRP COC[C@]1(CNC(=O)NCC2CC[NH+](CC3CC3)CC2)CCC[NH2+]1 ZINC000659540168 452400324 /nfs/dbraw/zinc/40/03/24/452400324.db2.gz CRTIJYGZZUQBFW-GOSISDBHSA-N 2 0 338.496 1.176 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@H](C)S(=O)(=O)C1 ZINC000657640698 452412751 /nfs/dbraw/zinc/41/27/51/452412751.db2.gz ZERVNZVPZFNMNG-WFASDCNBSA-N 2 0 334.445 1.631 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659561914 452418370 /nfs/dbraw/zinc/41/83/70/452418370.db2.gz UVUKQBVYXPJMRB-QZTJIDSGSA-N 2 0 330.476 1.821 20 0 EDADRP C[C@@H](CNC(=O)NCC[NH+]1CCC(C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654374246 452424561 /nfs/dbraw/zinc/42/45/61/452424561.db2.gz NZCAHSNHWUQHLR-YESZJQIVSA-N 2 0 340.512 1.515 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659574981 452429432 /nfs/dbraw/zinc/42/94/32/452429432.db2.gz SENXHOYQMDXQJE-MRXNPFEDSA-N 2 0 334.464 1.869 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659576475 452430492 /nfs/dbraw/zinc/43/04/92/452430492.db2.gz JCNOODDUWSVLAP-TVFCKZIOSA-N 2 0 328.460 1.526 20 0 EDADRP CCCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000659577629 452432187 /nfs/dbraw/zinc/43/21/87/452432187.db2.gz VCMPDVPPBGBZQO-KZNAEPCWSA-N 2 0 330.476 1.916 20 0 EDADRP CC1(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[NH2+]CC1 ZINC000659582187 452438543 /nfs/dbraw/zinc/43/85/43/452438543.db2.gz QJSVBCMYKMIDLM-HZPDHXFCSA-N 2 0 334.439 1.713 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590595 452448002 /nfs/dbraw/zinc/44/80/02/452448002.db2.gz BFMKRZPRCUADIN-ZTFGCOKTSA-N 2 0 348.466 1.864 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000659605873 452462555 /nfs/dbraw/zinc/46/25/55/452462555.db2.gz PMYMKIAVJNCIJH-HRCADAONSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000652289855 452473279 /nfs/dbraw/zinc/47/32/79/452473279.db2.gz HYYUNOOUDLBZGH-UHFFFAOYSA-N 2 0 334.464 1.004 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000652291683 452476886 /nfs/dbraw/zinc/47/68/86/452476886.db2.gz CYLHUYHKEKIUID-MSOLQXFVSA-N 2 0 346.475 1.444 20 0 EDADRP CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000663765430 452495070 /nfs/dbraw/zinc/49/50/70/452495070.db2.gz XPRZCTVUFNQXMI-ZWKOTPCHSA-N 2 0 332.492 1.895 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659641164 452505319 /nfs/dbraw/zinc/50/53/19/452505319.db2.gz MQWUUBQEWKWQCD-LJQANCHMSA-N 2 0 334.508 1.894 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000659641596 452505522 /nfs/dbraw/zinc/50/55/22/452505522.db2.gz SHMQGBCQSLWEQG-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C(C)C ZINC000652345387 452519532 /nfs/dbraw/zinc/51/95/32/452519532.db2.gz AWVZDFIMMRHUIX-GVDBMIGSSA-N 2 0 325.497 1.850 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655711164 452527972 /nfs/dbraw/zinc/52/79/72/452527972.db2.gz HKXJDIVSSHFWRN-KRWDZBQOSA-N 2 0 339.524 1.719 20 0 EDADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H]1CC[NH3+] ZINC000652354122 452531737 /nfs/dbraw/zinc/53/17/37/452531737.db2.gz NLPCTGCFBLPUHP-XJKSGUPXSA-N 2 0 332.448 1.563 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655717248 452535421 /nfs/dbraw/zinc/53/54/21/452535421.db2.gz YYTWXRHIGKCFLU-IBGZPJMESA-N 2 0 338.540 1.103 20 0 EDADRP CC(C)C[C@H](NC(=O)C[N@H+](C)C(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000647817427 452548579 /nfs/dbraw/zinc/54/85/79/452548579.db2.gz KHMQEBFUVDJUTA-CVEARBPZSA-N 2 0 340.512 1.020 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657881715 452587680 /nfs/dbraw/zinc/58/76/80/452587680.db2.gz YROGIARKRZVAMX-MSOLQXFVSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000655830408 452601922 /nfs/dbraw/zinc/60/19/22/452601922.db2.gz WQJFIXXTNXTQKN-ZBFHGGJFSA-N 2 0 343.475 1.964 20 0 EDADRP C[NH+](C)CC[C@@H](N)c1nc(-c2ccc(CN3CCOCC3)cc2)no1 ZINC000650225143 452611073 /nfs/dbraw/zinc/61/10/73/452611073.db2.gz FNUYODDXRNVLGZ-MRXNPFEDSA-N 2 0 345.447 1.520 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654540813 452621887 /nfs/dbraw/zinc/62/18/87/452621887.db2.gz ONALBPAPFWQBAH-HDICACEKSA-N 2 0 332.492 1.930 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655914221 452672804 /nfs/dbraw/zinc/67/28/04/452672804.db2.gz DXCAXRPAONGBJI-CQSZACIVSA-N 2 0 346.397 1.958 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000663998029 452700229 /nfs/dbraw/zinc/70/02/29/452700229.db2.gz IFXFUAGLJLRWHU-ZBFHGGJFSA-N 2 0 326.485 1.221 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000647962182 452705059 /nfs/dbraw/zinc/70/50/59/452705059.db2.gz QRPAJRMOSBDDNJ-JZXOWHBKSA-N 2 0 327.513 1.120 20 0 EDADRP C(N1CC[NH+]2CCC[C@H]2C1)C1(CN2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000647963134 452707929 /nfs/dbraw/zinc/70/79/29/452707929.db2.gz JIXYAQWFKOFRLH-OALUTQOASA-N 2 0 332.536 1.717 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966484 452711303 /nfs/dbraw/zinc/71/13/03/452711303.db2.gz VRHXDLMBFORUJT-HXUWFJFHSA-N 2 0 348.535 1.721 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977038 452720894 /nfs/dbraw/zinc/72/08/94/452720894.db2.gz XJLOMECRZVKEGY-KBPBESRZSA-N 2 0 332.473 1.968 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975682 452721112 /nfs/dbraw/zinc/72/11/12/452721112.db2.gz DMXYYDJPJSUEHC-HOTGVXAUSA-N 2 0 326.444 1.906 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000659845308 452731586 /nfs/dbraw/zinc/73/15/86/452731586.db2.gz UKCVHMLCGXRECY-SJLPKXTDSA-N 2 0 339.524 1.658 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCC1CC[NH2+]CC1 ZINC000652581142 452756254 /nfs/dbraw/zinc/75/62/54/452756254.db2.gz PTXZTSRGBOTZAA-UHFFFAOYSA-N 2 0 347.463 1.358 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000664066801 452758836 /nfs/dbraw/zinc/75/88/36/452758836.db2.gz ZXLAIUYVJTXTOX-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000652682116 452832048 /nfs/dbraw/zinc/83/20/48/452832048.db2.gz BQRXGTXPSRXVGU-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP CCN(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000664174792 452844755 /nfs/dbraw/zinc/84/47/55/452844755.db2.gz VMGSGPBDMNAQCQ-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734942 452861696 /nfs/dbraw/zinc/86/16/96/452861696.db2.gz NRUKBLYNAFZZKD-ZACQAIPSSA-N 2 0 338.496 1.149 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C2)C1 ZINC000662140546 452874271 /nfs/dbraw/zinc/87/42/71/452874271.db2.gz INMHNJPWIJVLSO-UYAOXDASSA-N 2 0 342.487 1.998 20 0 EDADRP CNS(=O)(=O)c1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000659983423 452891298 /nfs/dbraw/zinc/89/12/98/452891298.db2.gz MAIYFRIMVGFKAI-DZGCQCFKSA-N 2 0 325.478 1.509 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)n1 ZINC000654818584 452949467 /nfs/dbraw/zinc/94/94/67/452949467.db2.gz DOKSTZXDTKFIBD-MRXNPFEDSA-N 2 0 333.480 1.535 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722368 452952475 /nfs/dbraw/zinc/95/24/75/452952475.db2.gz QXZDJBAVGRRQDH-KSZLIROESA-N 2 0 331.460 1.907 20 0 EDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000650756693 452975902 /nfs/dbraw/zinc/97/59/02/452975902.db2.gz HUTBNIUDXPWHIG-ZDUSSCGKSA-N 2 0 333.457 1.904 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650764423 452980984 /nfs/dbraw/zinc/98/09/84/452980984.db2.gz YFQHVLRPEHQILM-CYBMUJFWSA-N 2 0 325.478 1.635 20 0 EDADRP CO[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266359 452997530 /nfs/dbraw/zinc/99/75/30/452997530.db2.gz WREWMPKANMBEOO-RYQLBKOJSA-N 2 0 337.508 1.772 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000646012119 453008948 /nfs/dbraw/zinc/00/89/48/453008948.db2.gz GQRQBQPMKLTUAO-AWEZNQCLSA-N 2 0 334.468 1.115 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)CC(C)C ZINC000666617808 453013623 /nfs/dbraw/zinc/01/36/23/453013623.db2.gz FWUUXUAKBSRQGB-QGZVFWFLSA-N 2 0 348.491 1.957 20 0 EDADRP O=c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc2ccccn12 ZINC000662290024 453014802 /nfs/dbraw/zinc/01/48/02/453014802.db2.gz FOZPDHFVVZRFAF-INIZCTEOSA-N 2 0 326.444 1.906 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291087 453014904 /nfs/dbraw/zinc/01/49/04/453014904.db2.gz OSCZRPFMQCHIMK-NVXWUHKLSA-N 2 0 325.497 1.629 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000662294706 453017245 /nfs/dbraw/zinc/01/72/45/453017245.db2.gz SCUXHDFKGQJVDQ-WBVHZDCISA-N 2 0 343.537 1.370 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)[C@@H]1CCC[NH3+] ZINC000662313605 453030706 /nfs/dbraw/zinc/03/07/06/453030706.db2.gz JJHPXZUOZMIKDY-BRSBDYLESA-N 2 0 337.508 1.996 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC000662315824 453033010 /nfs/dbraw/zinc/03/30/10/453033010.db2.gz HJFVMILRCPKXJH-DLBZAZTESA-N 2 0 333.476 1.974 20 0 EDADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327518 453045263 /nfs/dbraw/zinc/04/52/63/453045263.db2.gz QJZKXKKECYGHKN-CYBMUJFWSA-N 2 0 333.480 1.533 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326900 453046000 /nfs/dbraw/zinc/04/60/00/453046000.db2.gz ADHPAJZLAZCSBC-UHFFFAOYSA-N 2 0 347.507 1.971 20 0 EDADRP Cc1ncccc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337621 453056239 /nfs/dbraw/zinc/05/62/39/453056239.db2.gz MDROASKRDCEAFZ-QGZVFWFLSA-N 2 0 340.475 1.902 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160232 453091056 /nfs/dbraw/zinc/09/10/56/453091056.db2.gz VBAFQTLWNLCWTP-VNQPRFMTSA-N 2 0 337.414 1.868 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664473500 453125031 /nfs/dbraw/zinc/12/50/31/453125031.db2.gz RZGPPGGJSNFVKH-ZACQAIPSSA-N 2 0 338.496 1.100 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000644199024 453127677 /nfs/dbraw/zinc/12/76/77/453127677.db2.gz QNMSFPUPWINYRK-UHFFFAOYSA-N 2 0 346.475 1.542 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000655011660 453132570 /nfs/dbraw/zinc/13/25/70/453132570.db2.gz DWESHHPJJDOZQM-XLIONFOSSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662425444 453133460 /nfs/dbraw/zinc/13/34/60/453133460.db2.gz BRDICQACGYTLBO-CZUORRHYSA-N 2 0 342.447 1.542 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000650956056 453140720 /nfs/dbraw/zinc/14/07/20/453140720.db2.gz MJOQOGGLNZOFNJ-MRXNPFEDSA-N 2 0 330.542 1.701 20 0 EDADRP C[NH+]1CCN(CCn2cc([C@@H]([NH3+])c3ccc(Cl)cc3)nn2)CC1 ZINC000656437807 453181286 /nfs/dbraw/zinc/18/12/86/453181286.db2.gz KHIOYZAHYASLDI-INIZCTEOSA-N 2 0 334.855 1.227 20 0 EDADRP [NH3+]CCn1cc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)nn1 ZINC000662525677 453244657 /nfs/dbraw/zinc/24/46/57/453244657.db2.gz KPLWKSLBRXNSKG-INIZCTEOSA-N 2 0 342.447 1.194 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCC[NH+]3CCC(O)CC3)cc21 ZINC000662524820 453245730 /nfs/dbraw/zinc/24/57/30/453245730.db2.gz ALCHJXLHDGDSPA-KRWDZBQOSA-N 2 0 345.487 1.642 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786459 453271223 /nfs/dbraw/zinc/27/12/23/453271223.db2.gz CASLUSPGGVWEGO-QBPKDAKJSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666975412 453291581 /nfs/dbraw/zinc/29/15/81/453291581.db2.gz OMWNSPRODGJBKA-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666975669 453295526 /nfs/dbraw/zinc/29/55/26/453295526.db2.gz VXNBMLPFIMRKCJ-INIZCTEOSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112965 453299915 /nfs/dbraw/zinc/29/99/15/453299915.db2.gz OEYHSKOEYSKUCT-IAGOWNOFSA-N 2 0 331.460 1.774 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653113945 453302128 /nfs/dbraw/zinc/30/21/28/453302128.db2.gz SAPCEDHRNAFOQT-ZWKOTPCHSA-N 2 0 334.508 1.192 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000653116724 453305142 /nfs/dbraw/zinc/30/51/42/453305142.db2.gz QDEGVEFLRAQJGS-OALUTQOASA-N 2 0 345.487 1.816 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662590847 453316930 /nfs/dbraw/zinc/31/69/30/453316930.db2.gz OYKLBZUGOOOWKA-CABCVRRESA-N 2 0 331.464 1.338 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cn2)CC1 ZINC000653147857 453334438 /nfs/dbraw/zinc/33/44/38/453334438.db2.gz CTZQDWDNSGOTBA-CVEARBPZSA-N 2 0 329.448 1.303 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000662630612 453347961 /nfs/dbraw/zinc/34/79/61/453347961.db2.gz GDWJFGAGMFCHKA-QGZVFWFLSA-N 2 0 334.508 1.712 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662638527 453353501 /nfs/dbraw/zinc/35/35/01/453353501.db2.gz SDMHJAGBFMZUIG-GOSISDBHSA-N 2 0 342.487 1.800 20 0 EDADRP NC(=O)[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000656677454 453363249 /nfs/dbraw/zinc/36/32/49/453363249.db2.gz OJXFHCRRFIIUMP-SFHVURJKSA-N 2 0 331.460 1.694 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH2+]CCOC)CC2)o1 ZINC000653180324 453370494 /nfs/dbraw/zinc/37/04/94/453370494.db2.gz MGBPMSNFVYLNGU-UHFFFAOYSA-N 2 0 337.464 1.962 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000662660187 453373937 /nfs/dbraw/zinc/37/39/37/453373937.db2.gz ZNZIFRQPRUEGMO-RBUKOAKNSA-N 2 0 345.487 1.530 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662662962 453375505 /nfs/dbraw/zinc/37/55/05/453375505.db2.gz AXCPTILLMVJWFR-HNNXBMFYSA-N 2 0 334.468 1.007 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000662677728 453396251 /nfs/dbraw/zinc/39/62/51/453396251.db2.gz RONKSYIGCVQNLJ-HUUCEWRRSA-N 2 0 331.460 1.115 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])Cc1ccccc1 ZINC000662677971 453397816 /nfs/dbraw/zinc/39/78/16/453397816.db2.gz AUBYQLGERVRFNQ-OKZBNKHCSA-N 2 0 333.476 1.420 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000667138256 453430057 /nfs/dbraw/zinc/43/00/57/453430057.db2.gz ZJNCWPRODMWHGE-HZPDHXFCSA-N 2 0 348.495 1.688 20 0 EDADRP C[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000660592682 453435381 /nfs/dbraw/zinc/43/53/81/453435381.db2.gz URWLBNAPCLKLGU-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000662718377 453441035 /nfs/dbraw/zinc/44/10/35/453441035.db2.gz NFLYOEDGKUHPRM-JKSUJKDBSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Br)cc1 ZINC000662717643 453442075 /nfs/dbraw/zinc/44/20/75/453442075.db2.gz QGJHSPOTWZEVTN-CUMGRINNSA-N 2 0 338.249 1.491 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000653261427 453445292 /nfs/dbraw/zinc/44/52/92/453445292.db2.gz RJFNPDGGEVUSTI-SYQHCUMBSA-N 2 0 331.407 1.119 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]([NH3+])C(C)C)cc2)CC1 ZINC000662727685 453454250 /nfs/dbraw/zinc/45/42/50/453454250.db2.gz AERALUACDWYEAB-GOSISDBHSA-N 2 0 332.492 1.932 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CC[NH+](C2CCOCC2)CC1 ZINC000662742815 453469316 /nfs/dbraw/zinc/46/93/16/453469316.db2.gz RXUYFUNXVOLHAY-UHFFFAOYSA-N 2 0 329.444 1.269 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000662743729 453471168 /nfs/dbraw/zinc/47/11/68/453471168.db2.gz LLGNNSYDPGLMOQ-MSOLQXFVSA-N 2 0 332.492 1.292 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000662758657 453496372 /nfs/dbraw/zinc/49/63/72/453496372.db2.gz RJFQOAHFKKCNLI-QGZVFWFLSA-N 3 0 345.491 1.098 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662758256 453496429 /nfs/dbraw/zinc/49/64/29/453496429.db2.gz PLUDNGCUJPOSBI-IYARVYRRSA-N 2 0 330.476 1.178 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000662762482 453500378 /nfs/dbraw/zinc/50/03/78/453500378.db2.gz WFMDAERUUXTMJT-XHSDSOJGSA-N 2 0 346.479 1.197 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000662788010 453522341 /nfs/dbraw/zinc/52/23/41/453522341.db2.gz FVTHEFGPYQPBPB-MOPGFXCFSA-N 2 0 345.487 1.517 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)ccc1C[NH+](C)C ZINC000667266448 453526056 /nfs/dbraw/zinc/52/60/56/453526056.db2.gz YDDAFKMXTHTVIU-MRXNPFEDSA-N 2 0 332.448 1.253 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660701403 453526167 /nfs/dbraw/zinc/52/61/67/453526167.db2.gz SCRZDOFSSVJDKX-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662823794 453552035 /nfs/dbraw/zinc/55/20/35/453552035.db2.gz XDRVMHCOJPMASP-OAHLLOKOSA-N 2 0 334.468 1.007 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662857594 453573882 /nfs/dbraw/zinc/57/38/82/453573882.db2.gz BLOJKULRGVREIH-SFHVURJKSA-N 2 0 331.460 1.259 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000662868876 453580174 /nfs/dbraw/zinc/58/01/74/453580174.db2.gz RPYQKAJMECPPPX-SZMVWBNQSA-N 2 0 331.460 1.789 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000662912483 453599946 /nfs/dbraw/zinc/59/99/46/453599946.db2.gz KBIOWVAWYZDQFF-BZUAXINKSA-N 2 0 335.492 1.524 20 0 EDADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000660870813 453625422 /nfs/dbraw/zinc/62/54/22/453625422.db2.gz HQUFLDCXOVDRAU-GOEBONIOSA-N 2 0 340.512 1.515 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659095552 453628520 /nfs/dbraw/zinc/62/85/20/453628520.db2.gz DQRKUWWQTPOMBM-HNNXBMFYSA-N 2 0 332.448 1.334 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1 ZINC000665285344 453635152 /nfs/dbraw/zinc/63/51/52/453635152.db2.gz KNRRNTNUPWJNOV-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665291219 453637760 /nfs/dbraw/zinc/63/77/60/453637760.db2.gz XHIWOGSURQNZEA-CYBMUJFWSA-N 2 0 345.447 1.432 20 0 EDADRP C[C@@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291403 453638007 /nfs/dbraw/zinc/63/80/07/453638007.db2.gz BFCABIXRXWIGPF-GDBMZVCRSA-N 2 0 341.459 1.784 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659293750 453705861 /nfs/dbraw/zinc/70/58/61/453705861.db2.gz HBJPABJAAGFZBL-IBGZPJMESA-N 2 0 343.471 1.792 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000659353444 453725533 /nfs/dbraw/zinc/72/55/33/453725533.db2.gz DDEMOVVWPFSCFL-DMUMMCEESA-N 2 0 343.471 1.647 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)cc2)CC1 ZINC000659390719 453737425 /nfs/dbraw/zinc/73/74/25/453737425.db2.gz GSWPLEPAHSKDBY-QZTJIDSGSA-N 2 0 348.466 1.728 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663411736 453791740 /nfs/dbraw/zinc/79/17/40/453791740.db2.gz JATJLHHWLWWCAX-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000663448547 453801302 /nfs/dbraw/zinc/80/13/02/453801302.db2.gz ZWNORNCKMHHQMX-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000663480718 453805809 /nfs/dbraw/zinc/80/58/09/453805809.db2.gz SRERBFANQAVTSH-MRXNPFEDSA-N 2 0 342.528 1.763 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498442 453810529 /nfs/dbraw/zinc/81/05/29/453810529.db2.gz SRCRIYWVDFJTBD-YUELXQCFSA-N 2 0 336.505 1.650 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000614437952 486654368 /nfs/dbraw/zinc/65/43/68/486654368.db2.gz LAUNFYLPOWYFAL-JKSUJKDBSA-N 2 0 341.521 1.137 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000679994266 486692110 /nfs/dbraw/zinc/69/21/10/486692110.db2.gz QCHZCHIXTMWMEX-HOCLYGCPSA-N 2 0 333.480 1.231 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC12CCOCC2)c1ccccc1 ZINC000683526333 486744370 /nfs/dbraw/zinc/74/43/70/486744370.db2.gz NAZDDBISKZVLLU-QGZVFWFLSA-N 2 0 331.460 1.660 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415658653 486766127 /nfs/dbraw/zinc/76/61/27/486766127.db2.gz VQWSICZDLCWKBR-HUUCEWRRSA-N 2 0 332.448 1.115 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000667641625 486894042 /nfs/dbraw/zinc/89/40/42/486894042.db2.gz FKHUUUONALHLJW-UHFFFAOYSA-N 2 0 328.420 1.370 20 0 EDADRP CO[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000667680293 486911345 /nfs/dbraw/zinc/91/13/45/486911345.db2.gz CGDJJGLZNKXKBS-AEFFLSMTSA-N 2 0 346.475 1.525 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684197494 486980987 /nfs/dbraw/zinc/98/09/87/486980987.db2.gz HIBUCSWIMWUJFU-GOSISDBHSA-N 2 0 349.523 1.995 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681274425 486998868 /nfs/dbraw/zinc/99/88/68/486998868.db2.gz OUXLYXQMHGEWDN-DOTOQJQBSA-N 2 0 338.540 1.780 20 0 EDADRP CN(C)C(=O)C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678124126 487253096 /nfs/dbraw/zinc/25/30/96/487253096.db2.gz DPHGTMRHPNREKG-UHFFFAOYSA-N 2 0 333.476 1.927 20 0 EDADRP C[C@H]1CC(=O)NCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685469532 487280371 /nfs/dbraw/zinc/28/03/71/487280371.db2.gz LETDUPFXRFUHRI-INIZCTEOSA-N 2 0 331.460 1.872 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000669514489 485481111 /nfs/dbraw/zinc/48/11/11/485481111.db2.gz HMRLQOZNIMMIGO-DZGCQCFKSA-N 2 0 340.265 1.881 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)ccc21 ZINC000669516159 485482245 /nfs/dbraw/zinc/48/22/45/485482245.db2.gz VYMLUKUXJRCMLY-RHSMWYFYSA-N 2 0 326.444 1.814 20 0 EDADRP O=C(N1CC[C@H]2C[NH2+]C[C@H]2CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669519529 485485526 /nfs/dbraw/zinc/48/55/26/485485526.db2.gz HHOUPJVFOUAUCX-CALCHBBNSA-N 2 0 327.472 1.766 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000669524042 485492983 /nfs/dbraw/zinc/49/29/83/485492983.db2.gz WODKAAVGPNERSS-MRXNPFEDSA-N 2 0 338.496 1.320 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2c(n1)CCCC2 ZINC000337845556 485691157 /nfs/dbraw/zinc/69/11/57/485691157.db2.gz OLOKBKGSTWGARU-MRXNPFEDSA-N 2 0 347.507 1.708 20 0 EDADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](CC)[C@@H](C)C1 ZINC000669131919 485718781 /nfs/dbraw/zinc/71/87/81/485718781.db2.gz VFGYBOQDXMKNCI-XHSDSOJGSA-N 2 0 348.495 1.364 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1OC ZINC000668610814 485944711 /nfs/dbraw/zinc/94/47/11/485944711.db2.gz OUVGINKCMMGAAV-GJBLVYBDSA-N 2 0 336.436 1.121 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669310716 485957832 /nfs/dbraw/zinc/95/78/32/485957832.db2.gz BGVIWSYHRQYIQE-QKPAOTATSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000669323278 485969605 /nfs/dbraw/zinc/96/96/05/485969605.db2.gz GXYVRZZTUANPQY-RYQLBKOJSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncnc2[nH]ccc21 ZINC000668667440 486017933 /nfs/dbraw/zinc/01/79/33/486017933.db2.gz YJMTYLVNRBPPPF-UHFFFAOYSA-N 2 0 332.452 1.255 20 0 EDADRP O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)NCC1C[NH2+]C1 ZINC000668678532 486033171 /nfs/dbraw/zinc/03/31/71/486033171.db2.gz ZRFOVXXYBWLBLK-MRXNPFEDSA-N 2 0 336.867 1.996 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000669418777 486137764 /nfs/dbraw/zinc/13/77/64/486137764.db2.gz HYSBOUCZMYWAGT-SQWLQELKSA-N 2 0 338.452 1.420 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669426255 486147356 /nfs/dbraw/zinc/14/73/56/486147356.db2.gz PNBOMNUEMQJCFT-INIZCTEOSA-N 2 0 334.464 1.568 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CC1 ZINC000326543234 486213128 /nfs/dbraw/zinc/21/31/28/486213128.db2.gz ZKSKXMTWWSJEOH-UHFFFAOYSA-N 2 0 345.487 1.489 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000668809847 486219071 /nfs/dbraw/zinc/21/90/71/486219071.db2.gz DIKUTDHZCWVPDX-RDJZCZTQSA-N 2 0 334.464 1.266 20 0 EDADRP CC[C@@H](CNC(=O)NCC[NH2+]C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000669292820 491187227 /nfs/dbraw/zinc/18/72/27/491187227.db2.gz AKRNYTDBYRMPPJ-SFHVURJKSA-N 2 0 330.476 1.875 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000164550038 534812511 /nfs/dbraw/zinc/81/25/11/534812511.db2.gz ZEIAEELDIZSLRV-SFHVURJKSA-N 2 0 331.460 1.454 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000119201267 536504890 /nfs/dbraw/zinc/50/48/90/536504890.db2.gz XELRZGVYWBGALT-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000187117625 528537388 /nfs/dbraw/zinc/53/73/88/528537388.db2.gz DIEHYWAJQVTLKP-UHFFFAOYSA-N 2 0 348.491 1.396 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000236725943 535047732 /nfs/dbraw/zinc/04/77/32/535047732.db2.gz BAENSUCSDWSSRC-SFHVURJKSA-N 2 0 332.492 1.246 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000271596999 535515830 /nfs/dbraw/zinc/51/58/30/535515830.db2.gz YQHWXDVPBKUAHT-UHFFFAOYSA-N 2 0 347.463 1.407 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000262716374 535525035 /nfs/dbraw/zinc/52/50/35/535525035.db2.gz VOPZPFWFTDDLDS-GOSISDBHSA-N 2 0 333.480 1.309 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000236882878 535553536 /nfs/dbraw/zinc/55/35/36/535553536.db2.gz ZLFQFMJZPDPGNZ-KRWDZBQOSA-N 2 0 335.448 1.012 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccnc(C)n1 ZINC000339655136 535593011 /nfs/dbraw/zinc/59/30/11/535593011.db2.gz IVXZIBAANHAYOI-SFHVURJKSA-N 2 0 347.507 1.592 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(=O)OC)n(C)c2)CC1 ZINC000348052727 535708136 /nfs/dbraw/zinc/70/81/36/535708136.db2.gz ZHZNGPANILJJKJ-HNNXBMFYSA-N 2 0 336.480 1.175 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339618913 535715630 /nfs/dbraw/zinc/71/56/30/535715630.db2.gz HOMOSGADIJQQME-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)CC[NH+](C)C)CC1 ZINC000083058629 535753425 /nfs/dbraw/zinc/75/34/25/535753425.db2.gz CPJOLZXOFBESRT-UHFFFAOYSA-N 2 0 333.480 1.854 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CC[C@H]3CC[NH2+]C3)ccc2oc1=O ZINC000261734050 535932537 /nfs/dbraw/zinc/93/25/37/535932537.db2.gz GAKCCTOSDRUQIE-ZDUSSCGKSA-N 2 0 346.431 1.484 20 0 EDADRP CN(C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)C1CCCCC1 ZINC000333637605 535983817 /nfs/dbraw/zinc/98/38/17/535983817.db2.gz WTPKXPIUDNYCBU-UHFFFAOYSA-N 2 0 345.491 1.914 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000245972735 536471372 /nfs/dbraw/zinc/47/13/72/536471372.db2.gz OGUHHIBBWOGXGB-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP COc1cc(C)nc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262177787 536689566 /nfs/dbraw/zinc/68/95/66/536689566.db2.gz IKXMSZIGIFWQPD-MAUKXSAKSA-N 2 0 346.475 1.479 20 0 EDADRP COc1ccc([C@H](O)C[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000726796501 578361560 /nfs/dbraw/zinc/36/15/60/578361560.db2.gz CCJXFSJAQQMGSF-UYAOXDASSA-N 2 0 344.455 1.811 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCN(C[C@H](O)c2ccccc2)[C@@H](C)C1 ZINC000735330649 578876707 /nfs/dbraw/zinc/87/67/07/578876707.db2.gz GQGCNFFAATWKDR-WMZOPIPTSA-N 2 0 333.476 1.595 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)Nc1cnn(CC[NH+](C)C)c1)C(C)(C)C ZINC000747555309 579648736 /nfs/dbraw/zinc/64/87/36/579648736.db2.gz IZOXNWDKLLAUJE-OAHLLOKOSA-N 2 0 338.500 1.933 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CC1 ZINC000747572431 579649328 /nfs/dbraw/zinc/64/93/28/579649328.db2.gz CAEVJLKCRBBDLC-OKZBNKHCSA-N 2 0 337.508 1.817 20 0 EDADRP C[NH+](C)CCCNC(=S)NCC[N@H+](C)Cc1ccc(F)cc1 ZINC000749006780 579709902 /nfs/dbraw/zinc/70/99/02/579709902.db2.gz XGGFBSSOPAYLEO-UHFFFAOYSA-N 2 0 326.485 1.673 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000751081179 579793719 /nfs/dbraw/zinc/79/37/19/579793719.db2.gz IUWKKNZNGOPKHB-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@H](CO)C(C)C)cc2)CC1 ZINC000766891398 580176352 /nfs/dbraw/zinc/17/63/52/580176352.db2.gz UWPSXWKDVVJGPR-GOSISDBHSA-N 2 0 348.491 1.374 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000771813422 580295182 /nfs/dbraw/zinc/29/51/82/580295182.db2.gz OUSREANRXLOLIO-LJQANCHMSA-N 2 0 345.487 1.436 20 0 EDADRP CC(C)(C)[C@]1(C)NC(=O)N(CN2CCC[C@@H](n3ccnc3)C2)C1=O ZINC000773300511 580332955 /nfs/dbraw/zinc/33/29/55/580332955.db2.gz ANQRBZQWFHLSPX-CXAGYDPISA-N 2 0 333.436 1.834 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795939609 580941759 /nfs/dbraw/zinc/94/17/59/580941759.db2.gz SJUDLKZXIGGWLX-QGZVFWFLSA-N 2 0 326.481 1.746 20 0 EDADRP Cn1c(Cl)cnc1CNCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000799336739 581025809 /nfs/dbraw/zinc/02/58/09/581025809.db2.gz NZXCYZVYRPNKRG-UHFFFAOYSA-N 2 0 348.882 1.770 20 0 EDADRP C[C@@H](C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)C[C@H](C)O ZINC000893043381 590632346 /nfs/dbraw/zinc/63/23/46/590632346.db2.gz XAWHTTREBXWSME-CABCVRRESA-N 2 0 343.512 1.972 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3c2OCC3)CC1 ZINC000891834614 590645868 /nfs/dbraw/zinc/64/58/68/590645868.db2.gz SVVJOOAYBXGLRG-UHFFFAOYSA-N 2 0 331.460 1.511 20 0 EDADRP C[C@@H]1C[NH+](C)[C@@H](C)CN1c1nccc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000893079514 590650826 /nfs/dbraw/zinc/65/08/26/590650826.db2.gz IZFRZDMUEGXRTL-FXUDXRNXSA-N 2 0 332.496 1.534 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000891894103 590676824 /nfs/dbraw/zinc/67/68/24/590676824.db2.gz AULZULNMXMYFRD-NOCIGQNYSA-N 2 0 330.476 1.929 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2C[C@@]2(C)Br)CC1 ZINC000891925427 590691784 /nfs/dbraw/zinc/69/17/84/590691784.db2.gz FUIGRQBJUDQDJQ-UKRRQHHQSA-N 2 0 346.313 1.646 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000891976054 590719376 /nfs/dbraw/zinc/71/93/76/590719376.db2.gz IOWQSXQXLGUPER-KRWDZBQOSA-N 2 0 332.448 1.351 20 0 EDADRP CN(CC[N@H+](C)C1CC1)c1ccnc(N(C)CC[NH+](C)C2CC2)n1 ZINC000893228351 590721835 /nfs/dbraw/zinc/72/18/35/590721835.db2.gz IDDZNYOFBUZAFS-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[NH2+]C1 ZINC000892002014 590738539 /nfs/dbraw/zinc/73/85/39/590738539.db2.gz JXMMOARQMRONDB-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000892006662 590740415 /nfs/dbraw/zinc/74/04/15/590740415.db2.gz KRYBKQKEIAYRRT-CVEARBPZSA-N 2 0 338.496 1.352 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)NCC[NH2+]CCOC)CC1 ZINC000892051193 590772701 /nfs/dbraw/zinc/77/27/01/590772701.db2.gz OQZDOQPBIUMVSZ-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892083187 590790452 /nfs/dbraw/zinc/79/04/52/590790452.db2.gz RRDMWPWCBDITOP-CGTJXYLNSA-N 2 0 330.476 1.806 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000892089994 590793020 /nfs/dbraw/zinc/79/30/20/590793020.db2.gz WGBFYKZWBSURON-UXLLHSPISA-N 2 0 332.448 1.621 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000892170684 590842434 /nfs/dbraw/zinc/84/24/34/590842434.db2.gz VXFCNJQNKDYUQC-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1)Cc1ccc(F)cc1 ZINC000893432557 590866741 /nfs/dbraw/zinc/86/67/41/590866741.db2.gz ZFBQCURHPJYZSM-QFBILLFUSA-N 2 0 348.466 1.851 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000892257464 590890133 /nfs/dbraw/zinc/89/01/33/590890133.db2.gz MBPZQMDGETWREP-QCPWZWHMSA-N 2 0 332.448 1.272 20 0 EDADRP [NH3+]CCN(Cc1cccc(Cl)c1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266705 590899836 /nfs/dbraw/zinc/89/98/36/590899836.db2.gz LJUBSYZTDNGONM-HNNXBMFYSA-N 2 0 336.867 1.952 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306826 590928390 /nfs/dbraw/zinc/92/83/90/590928390.db2.gz HJHSLQRQEPSGEX-UOVPBQLFSA-N 2 0 330.476 1.804 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)NCc2cccc3c2CC[NH2+]C3)[NH2+]C1 ZINC000892324353 590945754 /nfs/dbraw/zinc/94/57/54/590945754.db2.gz TVEWIZDKEUEUGG-INIZCTEOSA-N 2 0 330.476 1.910 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000892411859 591017518 /nfs/dbraw/zinc/01/75/18/591017518.db2.gz PHFGZRXBHGPDHJ-PKOBYXMFSA-N 2 0 330.476 1.732 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348219 591053703 /nfs/dbraw/zinc/05/37/03/591053703.db2.gz CJGBZYQFNZQVMN-HOTGVXAUSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891348022 591053739 /nfs/dbraw/zinc/05/37/39/591053739.db2.gz ASGNBMVSSUGZHI-LBPRGKRZSA-N 2 0 337.493 1.544 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000891356890 591057486 /nfs/dbraw/zinc/05/74/86/591057486.db2.gz UZDXDTDXMJRZJP-VXIBKDFQSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C1 ZINC000891356889 591057652 /nfs/dbraw/zinc/05/76/52/591057652.db2.gz UZDXDTDXMJRZJP-MJQMVNBJSA-N 2 0 336.524 1.995 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000891365714 591062418 /nfs/dbraw/zinc/06/24/18/591062418.db2.gz NOTOPVHQOWXXOL-NQBHXWOUSA-N 2 0 334.386 1.249 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C ZINC000892563815 591074480 /nfs/dbraw/zinc/07/44/80/591074480.db2.gz VVZXPZOXGHQHHP-UHFFFAOYSA-N 2 0 333.476 1.899 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NC[C@H]3C[C@H]([NH3+])C3)CCCC2)CC1 ZINC000891529170 591108156 /nfs/dbraw/zinc/10/81/56/591108156.db2.gz PDHOJEJXZPZMIB-SHTZXODSSA-N 2 0 338.496 1.447 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891528761 591108501 /nfs/dbraw/zinc/10/85/01/591108501.db2.gz KQTHXTOTCCJZSR-CVEARBPZSA-N 2 0 338.496 1.412 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891529500 591109022 /nfs/dbraw/zinc/10/90/22/591109022.db2.gz QZMFMZNVVLFSKW-UHFFFAOYSA-N 2 0 340.512 1.837 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000891597495 591141877 /nfs/dbraw/zinc/14/18/77/591141877.db2.gz IUUCTOCOTXTDPG-MRXNPFEDSA-N 2 0 342.528 1.572 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000891596966 591142323 /nfs/dbraw/zinc/14/23/23/591142323.db2.gz IJAFJEYXAJNLIW-XLIONFOSSA-N 2 0 342.487 1.669 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000891626677 591155995 /nfs/dbraw/zinc/15/59/95/591155995.db2.gz MTOXFGAYPXPKGD-ROUUACIJSA-N 2 0 330.476 1.854 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891634650 591160378 /nfs/dbraw/zinc/16/03/78/591160378.db2.gz PGEHYTNUUHBKOR-IRXDYDNUSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000891639436 591163001 /nfs/dbraw/zinc/16/30/01/591163001.db2.gz RFTYRYRUJMLCBK-XJKSGUPXSA-N 2 0 328.526 1.501 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760998 591165408 /nfs/dbraw/zinc/16/54/08/591165408.db2.gz XKFZBVGIDRAAHO-HNNXBMFYSA-N 2 0 340.512 1.565 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776068 591171451 /nfs/dbraw/zinc/17/14/51/591171451.db2.gz ABYKNRCUCXJKBS-INIZCTEOSA-N 2 0 338.496 1.128 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892800951 591185675 /nfs/dbraw/zinc/18/56/75/591185675.db2.gz RGPOYJIMDCZABT-KRWDZBQOSA-N 2 0 330.476 1.827 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000891695043 591187193 /nfs/dbraw/zinc/18/71/93/591187193.db2.gz WHKHAVNUGSVSRN-CVEARBPZSA-N 2 0 338.496 1.277 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@H]2COCCO2)c2c1OC(F)(F)O2 ZINC000894197341 591224243 /nfs/dbraw/zinc/22/42/43/591224243.db2.gz QIEVIYOBWOFDRX-CYBMUJFWSA-N 2 0 344.358 1.575 20 0 EDADRP COCCOc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000892927181 591227660 /nfs/dbraw/zinc/22/76/60/591227660.db2.gz BJDPBGACGCDASF-HNNXBMFYSA-N 2 0 325.453 1.278 20 0 EDADRP Cn1ncc(I)c1C[NH2+]CCCC[NH+](C)C ZINC000894209138 591230069 /nfs/dbraw/zinc/23/00/69/591230069.db2.gz OADYOQWXSNDZOA-UHFFFAOYSA-N 2 0 336.221 1.456 20 0 EDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)CS1 ZINC000895686435 591248807 /nfs/dbraw/zinc/24/88/07/591248807.db2.gz ROYMRQSLRUSYJT-SQNIBIBYSA-N 2 0 341.565 1.903 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@H](CO)C2CC2)c2c1OC(F)(F)O2 ZINC000894268507 591258121 /nfs/dbraw/zinc/25/81/21/591258121.db2.gz FYXYHNBWCLOQPI-CYBMUJFWSA-N 2 0 328.359 1.930 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000895850697 591287260 /nfs/dbraw/zinc/28/72/60/591287260.db2.gz JXOUSVKZGZVAFE-MRXNPFEDSA-N 2 0 336.480 1.119 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1cccc2[nH]c(=O)oc21 ZINC000894454545 591314999 /nfs/dbraw/zinc/31/49/99/591314999.db2.gz WLXAUOAHYZJBPN-UHFFFAOYSA-N 2 0 332.448 1.991 20 0 EDADRP CC(C)(C)OC(=O)NCCN1CCC([NH2+]CC2=CCOCC2)CC1 ZINC000894678134 591385632 /nfs/dbraw/zinc/38/56/32/591385632.db2.gz CAXRAQZCOLKIMU-UHFFFAOYSA-N 2 0 339.480 1.912 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238391 591396854 /nfs/dbraw/zinc/39/68/54/591396854.db2.gz VJLQTYGTXIPPNF-JZXOWHBKSA-N 2 0 334.508 1.987 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CCSC1 ZINC000898634087 591455170 /nfs/dbraw/zinc/45/51/70/591455170.db2.gz GVNXMSGJOOJWOW-INIZCTEOSA-N 2 0 341.521 1.183 20 0 EDADRP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896539365 591501892 /nfs/dbraw/zinc/50/18/92/591501892.db2.gz NGYOBAHJJIUYSF-MAUKXSAKSA-N 2 0 332.492 1.155 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000897518872 591520056 /nfs/dbraw/zinc/52/00/56/591520056.db2.gz MYIKUIARMJGVEC-JKSUJKDBSA-N 2 0 331.464 1.786 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@H]1CCCC[N@H+](C)C1)CCO2 ZINC000897557976 591554076 /nfs/dbraw/zinc/55/40/76/591554076.db2.gz VEBVZBYKAVUAKG-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896828006 591622763 /nfs/dbraw/zinc/62/27/63/591622763.db2.gz SKZPWUDLOYNSPD-INIZCTEOSA-N 2 0 325.497 1.865 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)Nc1cnn(C)c1 ZINC000899463426 591813227 /nfs/dbraw/zinc/81/32/27/591813227.db2.gz DZZHEEDVMRRYJP-OAHLLOKOSA-N 2 0 338.525 1.465 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000899601360 591866520 /nfs/dbraw/zinc/86/65/20/591866520.db2.gz LVZVBOQMAMTNPB-JKSUJKDBSA-N 2 0 340.537 1.188 20 0 EDADRP CN1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000900137956 591915126 /nfs/dbraw/zinc/91/51/26/591915126.db2.gz CJLGWDGHXDHJMD-XLIONFOSSA-N 2 0 345.487 1.395 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](Cc2c(CO)[nH]cc(OC)c2=O)CC1 ZINC000902139974 591920568 /nfs/dbraw/zinc/92/05/68/591920568.db2.gz SXZWHTQKTIASQR-UHFFFAOYSA-N 2 0 337.464 1.430 20 0 EDADRP C[N@H+](CCO)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000899737875 591926133 /nfs/dbraw/zinc/92/61/33/591926133.db2.gz RRLGGQZUZVLPJZ-UHFFFAOYSA-N 2 0 333.476 1.329 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900182804 591932195 /nfs/dbraw/zinc/93/21/95/591932195.db2.gz MTEDJRQSBMRVGF-AZUAARDMSA-N 2 0 345.487 1.484 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000900262450 591964908 /nfs/dbraw/zinc/96/49/08/591964908.db2.gz BUVZWWBEGOVYLM-IBGZPJMESA-N 2 0 346.475 1.009 20 0 EDADRP C[C@@](O)(C[NH2+]CCCC[NH+]1CCOCC1)C(F)(F)C(F)(F)F ZINC000899870251 591966820 /nfs/dbraw/zinc/96/68/20/591966820.db2.gz GWLBDCARYARLNN-LLVKDONJSA-N 2 0 334.329 1.637 20 0 EDADRP COCC[N@H+](CC1CC[NH+](C)CC1)Cn1cc(OC)c(=O)cc1C ZINC000902345811 591977877 /nfs/dbraw/zinc/97/78/77/591977877.db2.gz LVONRLNAYHFCSP-UHFFFAOYSA-N 2 0 337.464 1.413 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000902358919 591985990 /nfs/dbraw/zinc/98/59/90/591985990.db2.gz BAZAVBOIYWDXOF-CHWSQXEVSA-N 2 0 346.518 1.251 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900373880 592000461 /nfs/dbraw/zinc/00/04/61/592000461.db2.gz ZZBMUFCMJIYTQE-UYAOXDASSA-N 2 0 345.487 1.470 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000900412357 592011300 /nfs/dbraw/zinc/01/13/00/592011300.db2.gz RVJNJKBYUXXFAN-ABHNRTSZSA-N 2 0 335.492 1.574 20 0 EDADRP CNc1ccccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000902595211 592016119 /nfs/dbraw/zinc/01/61/19/592016119.db2.gz GTXLXRPBVYUWDQ-UHFFFAOYSA-N 2 0 332.492 1.615 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000900441064 592019321 /nfs/dbraw/zinc/01/93/21/592019321.db2.gz LKNLCABREYGJPY-CTWPCTMYSA-N 2 0 349.519 1.964 20 0 EDADRP CCCCc1noc([C@@H](C)ONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)n1 ZINC000902809603 592067666 /nfs/dbraw/zinc/06/76/66/592067666.db2.gz IRAMAWGITIIMLL-FRRDWIJNSA-N 2 0 337.424 1.835 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)c1 ZINC000900651703 592081356 /nfs/dbraw/zinc/08/13/56/592081356.db2.gz IPLQGDCTKRQDDS-FQEVSTJZSA-N 2 0 347.503 1.990 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000900791608 592125163 /nfs/dbraw/zinc/12/51/63/592125163.db2.gz HBAIWSNGZQYPDK-LMDPOFIKSA-N 2 0 349.519 1.822 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCO[C@]34CCOC4)cc2)C1 ZINC000903200399 592134366 /nfs/dbraw/zinc/13/43/66/592134366.db2.gz RRODTWPPVCYLPG-QYZOEREBSA-N 2 0 332.444 1.291 20 0 EDADRP CS(=O)(=O)N[C@@H]1CCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903206947 592137992 /nfs/dbraw/zinc/13/79/92/592137992.db2.gz NRLLBLOAXHGFKI-SXLMRFEMSA-N 2 0 341.521 1.594 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900867708 592162069 /nfs/dbraw/zinc/16/20/69/592162069.db2.gz CBCUVNOUVYZJPD-ZIFCJYIRSA-N 2 0 331.460 1.174 20 0 EDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903452719 592173703 /nfs/dbraw/zinc/17/37/03/592173703.db2.gz RNZCANWZDOSAAM-HNNXBMFYSA-N 2 0 345.443 1.503 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(-c3ccco3)on1)C2 ZINC000903492974 592185740 /nfs/dbraw/zinc/18/57/40/592185740.db2.gz SPVNDTVWDHZLAV-JKDFXYPNSA-N 2 0 331.372 1.647 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000900981499 592189087 /nfs/dbraw/zinc/18/90/87/592189087.db2.gz SQVSBNBDZZEZKI-OWCLPIDISA-N 2 0 325.497 1.865 20 0 EDADRP COCc1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cs1 ZINC000903508891 592189444 /nfs/dbraw/zinc/18/94/44/592189444.db2.gz YSCTYPDSWRLSFE-IYBDPMFKSA-N 2 0 336.505 1.690 20 0 EDADRP C[C@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511148 592191045 /nfs/dbraw/zinc/19/10/45/592191045.db2.gz QKTJDZZHZQYESE-RYQLBKOJSA-N 2 0 334.508 1.288 20 0 EDADRP CCCCCCNC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511457 592191175 /nfs/dbraw/zinc/19/11/75/592191175.db2.gz ULFCRNYNUUFIRT-HDICACEKSA-N 2 0 336.524 1.584 20 0 EDADRP COc1ccccc1OCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521676 592196559 /nfs/dbraw/zinc/19/65/59/592196559.db2.gz CESSHXOORXKWAF-BEFAXECRSA-N 2 0 347.459 1.310 20 0 EDADRP O=C1CC[C@@H]([NH2+]C[C@H]2CCC3(CCCC3)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526164 592198405 /nfs/dbraw/zinc/19/84/05/592198405.db2.gz AUSSTLQNLLYKBD-NUJGCVRESA-N 2 0 335.492 1.715 20 0 EDADRP COC(=O)c1cccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903506997 592198795 /nfs/dbraw/zinc/19/87/95/592198795.db2.gz ITNJHVQMANYRFI-KDURUIRLSA-N 2 0 343.471 1.874 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CCCCC[NH2+]2)cc1 ZINC000903566771 592212870 /nfs/dbraw/zinc/21/28/70/592212870.db2.gz GECCHWHNYLAZOI-OAHLLOKOSA-N 2 0 325.478 1.559 20 0 EDADRP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904336061 592233343 /nfs/dbraw/zinc/23/33/43/592233343.db2.gz MCFMRYBXIGPQPN-OKILXGFUSA-N 2 0 326.462 1.528 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000906651200 592234798 /nfs/dbraw/zinc/23/47/98/592234798.db2.gz RAYDMTYAXRQSSR-INIZCTEOSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000906651071 592234838 /nfs/dbraw/zinc/23/48/38/592234838.db2.gz OVBMZPMMHFBTLQ-MRXNPFEDSA-N 2 0 342.443 1.292 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000906654455 592237614 /nfs/dbraw/zinc/23/76/14/592237614.db2.gz VKEYQBDTBBUDFN-UHFFFAOYSA-N 2 0 346.475 1.856 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000904382003 592246885 /nfs/dbraw/zinc/24/68/85/592246885.db2.gz ZZRVQLIKRJARCS-MRXNPFEDSA-N 2 0 329.847 1.915 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906671155 592252460 /nfs/dbraw/zinc/25/24/60/592252460.db2.gz PNHJSKORTFYYHS-CJNGLKHVSA-N 2 0 330.432 1.169 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416932 592252666 /nfs/dbraw/zinc/25/26/66/592252666.db2.gz UJESUHNUMOWFKH-AEFFLSMTSA-N 3 0 346.523 1.804 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000904470475 592267636 /nfs/dbraw/zinc/26/76/36/592267636.db2.gz XRJLPGDRDGNXJO-CQSZACIVSA-N 2 0 345.443 1.234 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473875 592268302 /nfs/dbraw/zinc/26/83/02/592268302.db2.gz UXIIVQVZCIEMBH-FGTMMUONSA-N 2 0 334.508 1.985 20 0 EDADRP COCCn1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000904474914 592269547 /nfs/dbraw/zinc/26/95/47/592269547.db2.gz MEPONRGISFBADJ-IEBWSBKVSA-N 2 0 342.443 1.875 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000904511564 592274452 /nfs/dbraw/zinc/27/44/52/592274452.db2.gz SLTIIIRHHIFQFZ-IAGOWNOFSA-N 2 0 332.448 1.469 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC[C@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904535363 592280964 /nfs/dbraw/zinc/28/09/64/592280964.db2.gz IQUJIDOVUYGVLI-KBXCAEBGSA-N 2 0 346.479 1.885 20 0 EDADRP O=C(c1ccsc1)N1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722568 592283487 /nfs/dbraw/zinc/28/34/87/592283487.db2.gz MYTBLCDHYQABRK-FUHWJXTLSA-N 2 0 349.500 1.665 20 0 EDADRP O=C(NC1CCCCC1)C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727672 592285943 /nfs/dbraw/zinc/28/59/43/592285943.db2.gz WWLUSLSMOOTQAC-ICSRJNTNSA-N 2 0 349.519 1.916 20 0 EDADRP c1ccc(CC[NH+]2CCN(C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734048 592297601 /nfs/dbraw/zinc/29/76/01/592297601.db2.gz UDCPVGDNHOHVHQ-UXHICEINSA-N 2 0 329.488 1.615 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC000906733558 592300997 /nfs/dbraw/zinc/30/09/97/592300997.db2.gz MVLKQFMTXISUGQ-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H](c1cccnc1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741694 592302568 /nfs/dbraw/zinc/30/25/68/592302568.db2.gz RMFKVCBGWNJPMQ-IEBWSBKVSA-N 2 0 344.503 1.919 20 0 EDADRP [NH3+]C[C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000903770857 592310818 /nfs/dbraw/zinc/31/08/18/592310818.db2.gz ZOLXECVOEAJZKL-MGPQQGTHSA-N 3 0 335.414 1.604 20 0 EDADRP CC(=O)N(C[C@@H]1CCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755279 592313918 /nfs/dbraw/zinc/31/39/18/592313918.db2.gz DQNAWZJTAYHXOZ-ZWKOTPCHSA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903778366 592319523 /nfs/dbraw/zinc/31/95/23/592319523.db2.gz LXKRIJQVCPPJGD-JHJVBQTASA-N 2 0 333.358 1.484 20 0 EDADRP Cn1cc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC000903784684 592321923 /nfs/dbraw/zinc/32/19/23/592321923.db2.gz PYRXCIWBXUWGMX-WLFXSESQSA-N 2 0 330.476 1.899 20 0 EDADRP COCCOCCOCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000903789665 592323474 /nfs/dbraw/zinc/32/34/74/592323474.db2.gz ZFBGRGLDJMBHHK-QGZVFWFLSA-N 2 0 328.497 1.768 20 0 EDADRP COc1ccc(C[N@H+](CCCO)C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831355 592337210 /nfs/dbraw/zinc/33/72/10/592337210.db2.gz IRTAQTCNWYXJCC-OALUTQOASA-N 2 0 334.460 1.648 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000903888870 592351059 /nfs/dbraw/zinc/35/10/59/592351059.db2.gz LYSRDVZDLYWGOO-IAGOWNOFSA-N 2 0 332.496 1.653 20 0 EDADRP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](CC[C@@H]3CC[NH2+]C3)C[C@H]21 ZINC000903870792 592353696 /nfs/dbraw/zinc/35/36/96/592353696.db2.gz JOSWDSWADKSCJF-YNEHKIRRSA-N 2 0 340.411 1.428 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C[C@H](C)O)[C@H](CC)C2)C1 ZINC000906827031 592355509 /nfs/dbraw/zinc/35/55/09/592355509.db2.gz PODXUHRYECUKSG-YESZJQIVSA-N 2 0 325.497 1.412 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903922886 592378368 /nfs/dbraw/zinc/37/83/68/592378368.db2.gz GYEMXNNHVZSPKX-ZWKOTPCHSA-N 2 0 341.503 1.962 20 0 EDADRP C[NH+](C)Cc1cc(CNCc2cnnn2[C@H]2CCC[NH2+]C2)ccc1F ZINC000903925977 592379965 /nfs/dbraw/zinc/37/99/65/592379965.db2.gz QJBCPXOUNVYMRX-INIZCTEOSA-N 2 0 346.454 1.693 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000903933266 592385380 /nfs/dbraw/zinc/38/53/80/592385380.db2.gz NMZQMZBKPOKSDU-WMZOPIPTSA-N 2 0 342.447 1.476 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000903933397 592385571 /nfs/dbraw/zinc/38/55/71/592385571.db2.gz QKNQEKBYQODDQA-LZLYRXPVSA-N 2 0 333.480 1.984 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cnn1C ZINC000903934187 592386448 /nfs/dbraw/zinc/38/64/48/592386448.db2.gz DCYOYJRZJPDQSP-VHDGCEQUSA-N 2 0 347.429 1.305 20 0 EDADRP COc1cccc2c1OC[C@@H]([NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903938120 592389569 /nfs/dbraw/zinc/38/95/69/592389569.db2.gz ZZAFQMSEXKKNPL-YOEHRIQHSA-N 2 0 344.459 1.448 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905088714 592393127 /nfs/dbraw/zinc/39/31/27/592393127.db2.gz JTQVAGHZVCAKHS-QGZVFWFLSA-N 2 0 328.497 1.523 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc3c1OCCCO3)C2 ZINC000903978274 592399423 /nfs/dbraw/zinc/39/94/23/592399423.db2.gz CYDKUAXQWKFUKQ-KHYOSLBOSA-N 2 0 346.427 1.560 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903968350 592403064 /nfs/dbraw/zinc/40/30/64/592403064.db2.gz UDZPPTPAQVJTSL-NFAWXSAZSA-N 2 0 333.432 1.635 20 0 EDADRP Cn1ccc([C@@H]2CCCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903987397 592406104 /nfs/dbraw/zinc/40/61/04/592406104.db2.gz FKSDFTWUFDVFMJ-HUUCEWRRSA-N 2 0 329.452 1.316 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905110764 592410746 /nfs/dbraw/zinc/41/07/46/592410746.db2.gz OZXXVXMDACAKCP-RLLQIKCJSA-N 2 0 349.519 1.334 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[NH2+]CC3(C)C)n2)ccn1 ZINC000904098271 592424856 /nfs/dbraw/zinc/42/48/56/592424856.db2.gz RQXUCJOEQSYFJQ-ZDUSSCGKSA-N 2 0 331.420 1.785 20 0 EDADRP COCCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](C)CC1 ZINC000908293892 592434984 /nfs/dbraw/zinc/43/49/84/592434984.db2.gz KHSBKSGZHRQRMR-FUHWJXTLSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344773 592500727 /nfs/dbraw/zinc/50/07/27/592500727.db2.gz YTFWULMWLHTNIM-QLFBSQMISA-N 2 0 331.526 1.272 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333339 592508871 /nfs/dbraw/zinc/50/88/71/592508871.db2.gz BMHAYOZXWFJQGB-HOTGVXAUSA-N 2 0 345.553 1.664 20 0 EDADRP [NH3+]C1(CNS(=O)(=O)CC2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000905362883 592515928 /nfs/dbraw/zinc/51/59/28/592515928.db2.gz XPSRHPHVURSGTI-UHFFFAOYSA-N 2 0 341.521 1.059 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905399971 592521041 /nfs/dbraw/zinc/52/10/41/592521041.db2.gz ORJLWJOZWBALRK-GSEOLPGOSA-N 2 0 348.487 1.247 20 0 EDADRP C[N@H+](CC(=O)N1CC[NH+](C)C2(CCCCC2)C1)[C@H]1CCSC1 ZINC000908573068 592544157 /nfs/dbraw/zinc/54/41/57/592544157.db2.gz MRJIHTWRBDVSNH-HNNXBMFYSA-N 2 0 325.522 1.901 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397494 592626477 /nfs/dbraw/zinc/62/64/77/592626477.db2.gz BIZLHLFPDAIBTH-VQIMIIECSA-N 2 0 344.503 1.117 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569917 592714468 /nfs/dbraw/zinc/71/44/68/592714468.db2.gz GKTRXXWADVTTSH-QGZVFWFLSA-N 2 0 328.460 1.458 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)C ZINC000907637943 592736693 /nfs/dbraw/zinc/73/66/93/592736693.db2.gz XJPIHDHUUBLAJH-QFBILLFUSA-N 2 0 346.519 1.596 20 0 EDADRP Cc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c(C[NH+](C)C)c1 ZINC000906223172 592761551 /nfs/dbraw/zinc/76/15/51/592761551.db2.gz RXURALUOZBOWGL-UHFFFAOYSA-N 2 0 341.459 1.971 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccccc2C[NH3+])([NH+](C)C)C1 ZINC000906645911 592865622 /nfs/dbraw/zinc/86/56/22/592865622.db2.gz NBBXZAZANVLKBC-KUHUBIRLSA-N 2 0 346.475 1.711 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000906644978 592865787 /nfs/dbraw/zinc/86/57/87/592865787.db2.gz HSUVSYXCJVWOMB-CVEARBPZSA-N 2 0 344.459 1.562 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645829 592865850 /nfs/dbraw/zinc/86/58/50/592865850.db2.gz LMDJSKASMXASOD-ZIAGYGMSSA-N 2 0 332.448 1.320 20 0 EDADRP CCO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000911632387 592970013 /nfs/dbraw/zinc/97/00/13/592970013.db2.gz GCHFPDYRGZLORJ-KSZLIROESA-N 2 0 333.476 1.953 20 0 EDADRP CC[C@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000735245323 592979600 /nfs/dbraw/zinc/97/96/00/592979600.db2.gz DGMJFQPBVZRKEA-HNNXBMFYSA-N 2 0 344.569 1.491 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)c1 ZINC000911692713 592983138 /nfs/dbraw/zinc/98/31/38/592983138.db2.gz UUHWTSCKHFTYKA-MRXNPFEDSA-N 2 0 338.411 1.870 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911284272 592988919 /nfs/dbraw/zinc/98/89/19/592988919.db2.gz MVKTYXOHTAJHPA-UHFFFAOYSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC[C@@H]1[NH3+] ZINC000911827002 593017859 /nfs/dbraw/zinc/01/78/59/593017859.db2.gz VLXOTSCJGIETAR-ISOBSLSZSA-N 2 0 329.366 1.560 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000911838085 593020495 /nfs/dbraw/zinc/02/04/95/593020495.db2.gz YVVFHVNNLRVLFV-AEFFLSMTSA-N 2 0 333.476 1.803 20 0 EDADRP CN1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H](Cc2ccccc2)C1 ZINC000911900459 593028522 /nfs/dbraw/zinc/02/85/22/593028522.db2.gz PAXDPGRJIOQOJL-RBUKOAKNSA-N 2 0 343.471 1.092 20 0 EDADRP CSCC[C@H]([NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029124 593049698 /nfs/dbraw/zinc/04/96/98/593049698.db2.gz IZLCNTCABKMLRR-HNNXBMFYSA-N 2 0 343.537 1.608 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000912589834 593106848 /nfs/dbraw/zinc/10/68/48/593106848.db2.gz IGKYJVDHLRESJI-HNNXBMFYSA-N 2 0 343.537 1.023 20 0 EDADRP CCN(CC)S(=O)(=O)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000842471592 593108427 /nfs/dbraw/zinc/10/84/27/593108427.db2.gz KRPVLXJVZLPFEM-UHFFFAOYSA-N 2 0 334.530 1.100 20 0 EDADRP CN1C(=O)C(=C(N)NOCCC[NH+]2CCCCC2)C(=[NH2+])C12CCCC2 ZINC000808254400 593245537 /nfs/dbraw/zinc/24/55/37/593245537.db2.gz ZWMPKVGLBSTYGD-UHFFFAOYSA-N 2 0 349.479 1.358 20 0 EDADRP C[C@H](CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000812011351 593488474 /nfs/dbraw/zinc/48/84/74/593488474.db2.gz ZNAXIOPLLSZJFR-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP CC[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000817911871 593647901 /nfs/dbraw/zinc/64/79/01/593647901.db2.gz MFOVZMXCKCBFTO-STQMWFEESA-N 2 0 339.452 1.371 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)CC[NH2+]CC1 ZINC000817918846 593648400 /nfs/dbraw/zinc/64/84/00/593648400.db2.gz NVHNHMVGYKMICP-CABCVRRESA-N 2 0 340.464 1.583 20 0 EDADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CC[NH2+]CC1 ZINC000817937539 593650545 /nfs/dbraw/zinc/65/05/45/593650545.db2.gz XLZCJLKEVXRHBF-ZDUSSCGKSA-N 2 0 339.871 1.337 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)CN(C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097135 593738726 /nfs/dbraw/zinc/73/87/26/593738726.db2.gz XPPPGCBBYTXBCI-WMZOPIPTSA-N 2 0 336.476 1.858 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(F)cc2F)CC1 ZINC000819134776 593740758 /nfs/dbraw/zinc/74/07/58/593740758.db2.gz MZGWUNARLAWRSN-KRWDZBQOSA-N 2 0 327.419 1.614 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnnn1C ZINC000820810146 593895162 /nfs/dbraw/zinc/89/51/62/593895162.db2.gz PYKWONRLMZAJEX-AWEZNQCLSA-N 2 0 329.448 1.623 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821051844 593953908 /nfs/dbraw/zinc/95/39/08/593953908.db2.gz HRYBMWDXDQWRSK-INIZCTEOSA-N 2 0 349.475 1.842 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453506 594005207 /nfs/dbraw/zinc/00/52/07/594005207.db2.gz PSSFPKQRXDKKSJ-RHSMWYFYSA-N 2 0 329.460 1.162 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000821351023 594024535 /nfs/dbraw/zinc/02/45/35/594024535.db2.gz IWKKXUCMLOYFBP-CQSZACIVSA-N 2 0 336.415 1.452 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C[C@@H]([NH3+])C3CC3)ccc2oc1=O ZINC000827906375 594301466 /nfs/dbraw/zinc/30/14/66/594301466.db2.gz LQDDWOFXMWHURU-CYBMUJFWSA-N 2 0 332.404 1.222 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)C1 ZINC000828139306 594350129 /nfs/dbraw/zinc/35/01/29/594350129.db2.gz PNSBOJZKRDAEGA-DOTOQJQBSA-N 2 0 344.459 1.450 20 0 EDADRP [NH3+][C@@H](CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC1 ZINC000828757382 594496367 /nfs/dbraw/zinc/49/63/67/594496367.db2.gz XPLDDAOIPLKQTQ-SFHVURJKSA-N 2 0 331.460 1.387 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000826678767 594553256 /nfs/dbraw/zinc/55/32/56/594553256.db2.gz ITJOBRFOROTUGZ-IAGOWNOFSA-N 2 0 337.508 1.961 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000831288370 594600544 /nfs/dbraw/zinc/60/05/44/594600544.db2.gz VWDWYSYRXKCLQC-INIZCTEOSA-N 2 0 326.485 1.259 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@@H]([NH+]3CCC3)C2)cc1 ZINC000826950679 594608636 /nfs/dbraw/zinc/60/86/36/594608636.db2.gz UTQNVARUSVNWHB-GOSISDBHSA-N 2 0 345.487 1.866 20 0 EDADRP CCO[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831730455 594697088 /nfs/dbraw/zinc/69/70/88/594697088.db2.gz CQDDWYHDUVSIDZ-SFHVURJKSA-N 2 0 333.476 1.518 20 0 EDADRP Cc1nccn1-c1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cn1 ZINC000831817986 594705133 /nfs/dbraw/zinc/70/51/33/594705133.db2.gz HLZYSLKGHHLTCR-LBPRGKRZSA-N 2 0 337.387 1.628 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)NCCOCC[NH+](C)C)cc(Cl)n1 ZINC000831998674 594717893 /nfs/dbraw/zinc/71/78/93/594717893.db2.gz PFZILGKOCQHVDZ-CYBMUJFWSA-N 2 0 328.844 1.128 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc(CC[NH3+])cc2)c1C ZINC000841032152 594842031 /nfs/dbraw/zinc/84/20/31/594842031.db2.gz NAZDDTDYKSFFRR-UHFFFAOYSA-N 2 0 344.459 1.854 20 0 EDADRP CCOc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)ccc1OC(=O)CC ZINC000841108362 594852040 /nfs/dbraw/zinc/85/20/40/594852040.db2.gz XEGWAKHAZQOZED-UHFFFAOYSA-N 2 0 336.432 1.686 20 0 EDADRP CN1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000841205356 594868040 /nfs/dbraw/zinc/86/80/40/594868040.db2.gz MJTQJWWLOHQTDE-VIFPVBQESA-N 2 0 332.235 1.682 20 0 EDADRP C[NH+](C)C1CN(C(=O)Nc2ccc(C(=O)OC[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000841273237 594879378 /nfs/dbraw/zinc/87/93/78/594879378.db2.gz MGWBYHDOZDOYHG-HNNXBMFYSA-N 2 0 346.431 1.373 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000841385525 594891014 /nfs/dbraw/zinc/89/10/14/594891014.db2.gz CZQNWIXCOJUJBX-KZNAEPCWSA-N 2 0 331.460 1.659 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000841791417 594954036 /nfs/dbraw/zinc/95/40/36/594954036.db2.gz WQGVIRPIEDYVNI-JZXOWHBKSA-N 2 0 344.459 1.036 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846749 594964377 /nfs/dbraw/zinc/96/43/77/594964377.db2.gz MVDLNTXOELCBHB-VBNZEHGJSA-N 2 0 331.416 1.532 20 0 EDADRP CCCCC[C@H](C)NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000843388865 595097357 /nfs/dbraw/zinc/09/73/57/595097357.db2.gz BNIQHXSCCPVLMB-LESCRADOSA-N 2 0 325.497 1.900 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)/C=C/c1ccc(Cl)cc1 ZINC000842482402 595118809 /nfs/dbraw/zinc/11/88/09/595118809.db2.gz URXGIAGZDSJPBY-KPKJPENVSA-N 2 0 331.869 1.640 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN([C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000846218151 595176719 /nfs/dbraw/zinc/17/67/19/595176719.db2.gz MDBNRDPSWZAZSF-LJQANCHMSA-N 2 0 344.503 1.929 20 0 EDADRP CCS(=O)(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000843096994 595286943 /nfs/dbraw/zinc/28/69/43/595286943.db2.gz VNGHUGBYFZQGSV-QGZVFWFLSA-N 2 0 340.489 1.168 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000844167084 595289389 /nfs/dbraw/zinc/28/93/89/595289389.db2.gz NXTWHCLALZGWPW-SFHVURJKSA-N 2 0 331.460 1.667 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844170129 595290097 /nfs/dbraw/zinc/29/00/97/595290097.db2.gz GKGIVFXEOXVHMN-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175142 595292454 /nfs/dbraw/zinc/29/24/54/595292454.db2.gz BEAGJSVOEBBUBK-BPQIPLTHSA-N 2 0 331.460 1.707 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708893 595305143 /nfs/dbraw/zinc/30/51/43/595305143.db2.gz XLGUHUMVWXOFIU-JKSUJKDBSA-N 2 0 346.475 1.663 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221131 595306220 /nfs/dbraw/zinc/30/62/20/595306220.db2.gz WBZXIGWPNHDRMT-SFHVURJKSA-N 2 0 348.491 1.767 20 0 EDADRP CCN1C[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)OC1=O ZINC000846808960 595319428 /nfs/dbraw/zinc/31/94/28/595319428.db2.gz WEWWKKMXEPPXJR-MRXNPFEDSA-N 2 0 325.453 1.404 20 0 EDADRP Cn1c(Cl)ncc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000848524503 595402468 /nfs/dbraw/zinc/40/24/68/595402468.db2.gz GOLXJSXBAFWRPU-UHFFFAOYSA-N 2 0 347.894 1.981 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@H](N)CC[NH+](C)C)n2)ccn1 ZINC000844912196 595412757 /nfs/dbraw/zinc/41/27/57/595412757.db2.gz DZDLGDXNICNCES-CYBMUJFWSA-N 2 0 334.424 1.024 20 0 EDADRP [NH2+]=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000849073257 595478175 /nfs/dbraw/zinc/47/81/75/595478175.db2.gz ACMWDIQTUPBLAO-UHFFFAOYSA-N 3 0 330.480 1.604 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCc2ccc(OC(F)(F)F)cc2)C1 ZINC000849085543 595479841 /nfs/dbraw/zinc/47/98/41/595479841.db2.gz SDCARNXRZVSMPW-AWEZNQCLSA-N 2 0 346.353 1.266 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCO1 ZINC000849094701 595480647 /nfs/dbraw/zinc/48/06/47/595480647.db2.gz QGVZYHXLAOBWJN-MRXNPFEDSA-N 2 0 345.491 1.179 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000849094312 595480723 /nfs/dbraw/zinc/48/07/23/595480723.db2.gz FDXQNSPSGXXZTC-SJLPKXTDSA-N 2 0 330.476 1.796 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(S(C)(=O)=O)c1 ZINC000849115086 595484155 /nfs/dbraw/zinc/48/41/55/595484155.db2.gz DXHGCAKDABOZPA-CQSZACIVSA-N 2 0 338.477 1.188 20 0 EDADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000852753549 595526910 /nfs/dbraw/zinc/52/69/10/595526910.db2.gz DMIMLBWTFMTESI-INIZCTEOSA-N 2 0 332.510 1.149 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849481346 595546680 /nfs/dbraw/zinc/54/66/80/595546680.db2.gz KMKWHNZNWFRDTR-QZTJIDSGSA-N 2 0 347.507 1.256 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482433 595547233 /nfs/dbraw/zinc/54/72/33/595547233.db2.gz BHEBAYOWHIDBLD-CVEARBPZSA-N 2 0 335.496 1.159 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C[NH+]1CCCC1 ZINC000849501801 595552812 /nfs/dbraw/zinc/55/28/12/595552812.db2.gz AUOGJSBCWSJNQX-BPQIPLTHSA-N 2 0 347.507 1.304 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000849559311 595567769 /nfs/dbraw/zinc/56/77/69/595567769.db2.gz TUNRUQRJUWSXMR-AETAKHFUSA-N 2 0 345.491 1.197 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccccn1 ZINC000853103674 595665598 /nfs/dbraw/zinc/66/55/98/595665598.db2.gz CRPXVESMIRMXDR-MJGOQNOKSA-N 2 0 327.428 1.471 20 0 EDADRP CCOC(=O)NC1CCC([NH2+][C@@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000850432789 595832615 /nfs/dbraw/zinc/83/26/15/595832615.db2.gz FKGCFNXLJKMGJW-FHERZECASA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)c3ccccn3)CC2)CC1 ZINC000852184443 596075081 /nfs/dbraw/zinc/07/50/81/596075081.db2.gz LDUSDSGXUINTCV-IBGZPJMESA-N 2 0 332.492 1.607 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000854568300 596121531 /nfs/dbraw/zinc/12/15/31/596121531.db2.gz LDCNZIKFNOZMFF-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)C1CC(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000857229350 596192617 /nfs/dbraw/zinc/19/26/17/596192617.db2.gz QEWBEKDJJABDDS-UHFFFAOYSA-N 2 0 330.476 1.256 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000866659587 596283407 /nfs/dbraw/zinc/28/34/07/596283407.db2.gz OGNVRXDZHQWNPS-WBVHZDCISA-N 2 0 346.475 1.499 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000866659586 596283472 /nfs/dbraw/zinc/28/34/72/596283472.db2.gz OGNVRXDZHQWNPS-RDJZCZTQSA-N 2 0 346.475 1.499 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@H](C)C1 ZINC000870887519 596390876 /nfs/dbraw/zinc/39/08/76/596390876.db2.gz CPYPRJYPNFSYMD-WCXIOVBPSA-N 2 0 325.497 1.757 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000870887734 596391149 /nfs/dbraw/zinc/39/11/49/596391149.db2.gz GQJOLKBSMHBPIA-WPZCVXBKSA-N 2 0 337.508 1.772 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919802 596404919 /nfs/dbraw/zinc/40/49/19/596404919.db2.gz HZNWMFHDVVHIJE-FZMZJTMJSA-N 2 0 340.265 1.907 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870932910 596410542 /nfs/dbraw/zinc/41/05/42/596410542.db2.gz LCRSGGVCRJHEFZ-FZMZJTMJSA-N 2 0 340.265 1.907 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935806 596412246 /nfs/dbraw/zinc/41/22/46/596412246.db2.gz SZRVWVQVWCSYJV-ZWNOBZJWSA-N 2 0 326.238 1.517 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)CC[C@H]21 ZINC000870980671 596427886 /nfs/dbraw/zinc/42/78/86/596427886.db2.gz ANWBMZZGZBHBTB-UKRRQHHQSA-N 2 0 334.489 1.776 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000865455989 596580751 /nfs/dbraw/zinc/58/07/51/596580751.db2.gz CZXPIYAWFBJIIC-KRWDZBQOSA-N 2 0 344.503 1.648 20 0 EDADRP CC(=O)NCC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000865457494 596580993 /nfs/dbraw/zinc/58/09/93/596580993.db2.gz MCRCGAZULGWTBE-DAWZGUTISA-N 2 0 325.497 1.508 20 0 EDADRP CC(C)(C)OC(=O)N1CCCC[C@@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000863551170 596615591 /nfs/dbraw/zinc/61/55/91/596615591.db2.gz ISMIFAUSNLQHPS-CVEARBPZSA-N 2 0 341.496 1.822 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000865583318 596617327 /nfs/dbraw/zinc/61/73/27/596617327.db2.gz ALHPIOBGORSIJU-JKSUJKDBSA-N 2 0 341.496 1.822 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C[C@H]1CCCCN1CCO ZINC000865583317 596617486 /nfs/dbraw/zinc/61/74/86/596617486.db2.gz ALHPIOBGORSIJU-HZPDHXFCSA-N 2 0 341.496 1.822 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)C1 ZINC000863650862 596644504 /nfs/dbraw/zinc/64/45/04/596644504.db2.gz DFWRMDAGWRCGTF-XGXHKWSGSA-N 2 0 327.472 1.919 20 0 EDADRP COCCC1(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC[NH2+]CC1 ZINC000868044099 596666901 /nfs/dbraw/zinc/66/69/01/596666901.db2.gz YWVOIOGHCIDWHA-KRWDZBQOSA-N 2 0 345.487 1.954 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C[NH+](C)C ZINC000868167292 596708113 /nfs/dbraw/zinc/70/81/13/596708113.db2.gz JIICXFDGMADBKF-IAGOWNOFSA-N 3 0 345.491 1.493 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCc3n[nH]cc32)C[C@H]1C[NH+](C)C ZINC000870020728 596711822 /nfs/dbraw/zinc/71/18/22/596711822.db2.gz TVRNARMRROXEJC-RBSFLKMASA-N 2 0 333.480 1.027 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868177646 596712072 /nfs/dbraw/zinc/71/20/72/596712072.db2.gz ONMNVCXCXRRXJR-ZWKOTPCHSA-N 2 0 347.507 1.848 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868177926 596712522 /nfs/dbraw/zinc/71/25/22/596712522.db2.gz RWOUSSFAIULRGF-DLBZAZTESA-N 2 0 333.480 1.506 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCc2ccccn2)C[C@H]1C[NH+](C)C ZINC000870022090 596712553 /nfs/dbraw/zinc/71/25/53/596712553.db2.gz OVNFKFOFHBCEEK-IAGOWNOFSA-N 2 0 332.492 1.602 20 0 EDADRP COc1ccc(C)cc1CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024523 596714481 /nfs/dbraw/zinc/71/44/81/596714481.db2.gz QWCGXMKURDRHOF-QZTJIDSGSA-N 2 0 347.503 1.744 20 0 EDADRP CN1CCn2nc(NC(=O)N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cc2C1 ZINC000868203798 596722171 /nfs/dbraw/zinc/72/21/71/596722171.db2.gz HYGQYKRVQKJKPX-CABCVRRESA-N 2 0 346.479 1.572 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868224186 596733950 /nfs/dbraw/zinc/73/39/50/596733950.db2.gz CZCRQCSKDXAEAO-XOKHGSTOSA-N 2 0 344.459 1.288 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000864062354 596748560 /nfs/dbraw/zinc/74/85/60/596748560.db2.gz OYAMEMYPXAXIMC-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CCOCC4)C2)C1 ZINC000872144591 596808885 /nfs/dbraw/zinc/80/88/85/596808885.db2.gz HNWNGQWNNGWQEF-MLHJIOFPSA-N 2 0 338.492 1.790 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](C[C@@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144579 596809185 /nfs/dbraw/zinc/80/91/85/596809185.db2.gz HLOZAWLDJWZPLV-RCCFBDPRSA-N 2 0 338.492 1.790 20 0 EDADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872155208 596815702 /nfs/dbraw/zinc/81/57/02/596815702.db2.gz NSOHUQSKVJCKAL-AWEZNQCLSA-N 2 0 332.448 1.811 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@@H]1C ZINC000872191033 596827901 /nfs/dbraw/zinc/82/79/01/596827901.db2.gz WRSXALNGSWDGMB-JKSUJKDBSA-N 2 0 340.512 1.295 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)c2ccccc2)CC1 ZINC000872199531 596831920 /nfs/dbraw/zinc/83/19/20/596831920.db2.gz HJVYWKMFWJJZDI-ZWKOTPCHSA-N 2 0 335.492 1.087 20 0 EDADRP CC1(C)CC[C@@H](O)[C@H]([NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000866453810 596889455 /nfs/dbraw/zinc/88/94/55/596889455.db2.gz VIUHDHKPJIQLRH-QZTJIDSGSA-N 2 0 339.524 1.312 20 0 EDADRP C[C@H]1COCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875578036 596903709 /nfs/dbraw/zinc/90/37/09/596903709.db2.gz XPMDLWSXWPOGOS-MWDXBVQZSA-N 2 0 340.512 1.040 20 0 EDADRP CO[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CC(C)C ZINC000875673599 596942548 /nfs/dbraw/zinc/94/25/48/596942548.db2.gz MIEYBQVQRDOXIJ-BRWVUGGUSA-N 2 0 342.528 1.428 20 0 EDADRP C[C@@H]1SCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875693782 596949115 /nfs/dbraw/zinc/94/91/15/596949115.db2.gz YEWKVJAAIBEYOA-GBJTYRQASA-N 2 0 328.526 1.261 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000875810180 596992875 /nfs/dbraw/zinc/99/28/75/596992875.db2.gz XYDVTTWABAJNDM-DMHIMHRUSA-N 2 0 347.507 1.395 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000874429257 597074380 /nfs/dbraw/zinc/07/43/80/597074380.db2.gz FCZXBXPPHBFPLC-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCC1 ZINC000874432223 597075763 /nfs/dbraw/zinc/07/57/63/597075763.db2.gz VPWHLTHKQBSJKW-HNNXBMFYSA-N 2 0 338.496 1.319 20 0 EDADRP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)C1 ZINC000874511400 597102954 /nfs/dbraw/zinc/10/29/54/597102954.db2.gz UEDUZHLYUXUKAY-NLWGTHIKSA-N 2 0 343.471 1.298 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)NCC[NH+](C)C)C2)c1 ZINC000876194283 597127715 /nfs/dbraw/zinc/12/77/15/597127715.db2.gz VWPCTADLCYBRKO-KRWDZBQOSA-N 2 0 334.464 1.057 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518518 597227988 /nfs/dbraw/zinc/22/79/88/597227988.db2.gz TXCIYXMFQWTURG-UHFFFAOYSA-N 2 0 325.456 1.979 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[NH+](C)C ZINC000876519108 597228073 /nfs/dbraw/zinc/22/80/73/597228073.db2.gz SGIVMFUVYHIIBK-MRXNPFEDSA-N 2 0 333.432 1.874 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000876520325 597228324 /nfs/dbraw/zinc/22/83/24/597228324.db2.gz JFXLFYZNHCZDJD-WMLDXEAASA-N 2 0 345.443 1.876 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000876520287 597228460 /nfs/dbraw/zinc/22/84/60/597228460.db2.gz HZHSFCOWTADMPC-KRWDZBQOSA-N 2 0 345.443 1.924 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000876523856 597230286 /nfs/dbraw/zinc/23/02/86/597230286.db2.gz GLTSKECSZCFXAD-HOTGVXAUSA-N 2 0 327.432 1.546 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H](C)C1 ZINC000873218433 597231383 /nfs/dbraw/zinc/23/13/83/597231383.db2.gz GPQMBFADXJLTDY-RDTXWAMCSA-N 3 0 328.464 1.546 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000876718971 597303188 /nfs/dbraw/zinc/30/31/88/597303188.db2.gz ACQJCSUAJUIJAW-ZWKOTPCHSA-N 2 0 347.459 1.455 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876719852 597304031 /nfs/dbraw/zinc/30/40/31/597304031.db2.gz WYAXFKAGBVYJGQ-WMLDXEAASA-N 2 0 337.414 1.854 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875152968 597304952 /nfs/dbraw/zinc/30/49/52/597304952.db2.gz WMMWFPSRJMVNLC-KRWDZBQOSA-N 2 0 328.460 1.608 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C[NH+](C)C ZINC000875153587 597305288 /nfs/dbraw/zinc/30/52/88/597305288.db2.gz YKHCQRBGHSHGET-MKXGPGLRSA-N 2 0 344.503 1.923 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1(F)F ZINC000876725110 597306627 /nfs/dbraw/zinc/30/66/27/597306627.db2.gz FGYJXUYXSVLMSS-HUUCEWRRSA-N 2 0 339.386 1.422 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876735389 597312688 /nfs/dbraw/zinc/31/26/88/597312688.db2.gz NDNGVCMRFVNQTM-QGZVFWFLSA-N 2 0 347.507 1.968 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)ccc2oc1=O ZINC000876747253 597319863 /nfs/dbraw/zinc/31/98/63/597319863.db2.gz ZJCWLDMSJFSSMB-WFASDCNBSA-N 2 0 346.431 1.468 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000876747273 597320006 /nfs/dbraw/zinc/32/00/06/597320006.db2.gz ZOTUJXRWZOOHSE-OAHLLOKOSA-N 2 0 345.451 1.126 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000876781428 597338450 /nfs/dbraw/zinc/33/84/50/597338450.db2.gz LIBKFYMTCHNTDM-SQWLQELKSA-N 2 0 331.464 1.471 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)C1(F)F ZINC000876840913 597355631 /nfs/dbraw/zinc/35/56/31/597355631.db2.gz ZJHPWUGZSJZIDP-JHJVBQTASA-N 2 0 329.778 1.653 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000876853907 597359781 /nfs/dbraw/zinc/35/97/81/597359781.db2.gz BKQYYJIAQFXEIU-ZDUSSCGKSA-N 2 0 334.489 1.790 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000876878060 597366257 /nfs/dbraw/zinc/36/62/57/597366257.db2.gz OZKJZGSAFFPHNK-JCYILVPMSA-N 2 0 347.507 1.966 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877119086 597437214 /nfs/dbraw/zinc/43/72/14/597437214.db2.gz ABTSIKVTOBBSBF-MSOLQXFVSA-N 2 0 331.460 1.393 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000877132520 597439717 /nfs/dbraw/zinc/43/97/17/597439717.db2.gz GGSYQUFDMYLOIG-UHFFFAOYSA-N 2 0 331.460 1.720 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1C[NH+](C)C ZINC000877143047 597442346 /nfs/dbraw/zinc/44/23/46/597442346.db2.gz CSIKEXLUGBWIOG-TZNCUMHOSA-N 3 0 336.524 1.105 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877152064 597443858 /nfs/dbraw/zinc/44/38/58/597443858.db2.gz YTVXCNKIITWLDQ-HUUCEWRRSA-N 2 0 333.480 1.624 20 0 EDADRP C[N@H+](CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1)CC(C)(C)C ZINC000877207092 597462775 /nfs/dbraw/zinc/46/27/75/597462775.db2.gz YWJAKBWHADASAM-UHFFFAOYSA-N 2 0 344.463 1.320 20 0 EDADRP CCOC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875526261 597465416 /nfs/dbraw/zinc/46/54/16/597465416.db2.gz RJUFOUHJHQQERA-ZACQAIPSSA-N 2 0 342.528 1.428 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)/C=C\[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877239551 597475406 /nfs/dbraw/zinc/47/54/06/597475406.db2.gz QIFOIVMSLVDMGD-YOVWPDEFSA-N 2 0 329.444 1.504 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000877250095 597479488 /nfs/dbraw/zinc/47/94/88/597479488.db2.gz NHYIUPLVTSAXRO-DZOHQFGASA-N 2 0 331.460 1.472 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257932 597482045 /nfs/dbraw/zinc/48/20/45/597482045.db2.gz UOPOIUKJFPZKFM-YLJYHZDGSA-N 2 0 346.519 1.669 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000877265844 597483146 /nfs/dbraw/zinc/48/31/46/597483146.db2.gz NWOHXWITUPYWHO-ZFWWWQNUSA-N 2 0 334.489 1.824 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000877283744 597486637 /nfs/dbraw/zinc/48/66/37/597486637.db2.gz QPASUKAAKRMQPV-RTBURBONSA-N 2 0 342.487 1.401 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000877341191 597495762 /nfs/dbraw/zinc/49/57/62/597495762.db2.gz VIUAHYRYPVVPLT-MRXNPFEDSA-N 2 0 340.427 1.586 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877360469 597501016 /nfs/dbraw/zinc/50/10/16/597501016.db2.gz YEJOXUXVGYCYEK-OCCSQVGLSA-N 2 0 329.366 1.658 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H]1C(F)(F)F ZINC000877370484 597503397 /nfs/dbraw/zinc/50/33/97/597503397.db2.gz BSNPVZXMGWMSOA-JLLWLGSASA-N 2 0 335.757 1.935 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000877370485 597503404 /nfs/dbraw/zinc/50/34/04/597503404.db2.gz BSNPVZXMGWMSOA-USWWRNFRSA-N 2 0 335.757 1.935 20 0 EDADRP CC(=O)Nc1cccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877670315 597546546 /nfs/dbraw/zinc/54/65/46/597546546.db2.gz JGKIJWPKHCIXRP-QZTJIDSGSA-N 2 0 332.492 1.816 20 0 EDADRP O[C@@H](C[C@H](O)c1ccccc1)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000878191012 597585494 /nfs/dbraw/zinc/58/54/94/597585494.db2.gz MZHTTZCHJHDVBS-OALUTQOASA-N 2 0 327.428 1.688 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000878370638 597598100 /nfs/dbraw/zinc/59/81/00/597598100.db2.gz ZEEBWZFIXJBGPD-LPHOPBHVSA-N 2 0 345.487 1.954 20 0 EDADRP CCOC(=O)C[C@](C)([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000878456732 597603026 /nfs/dbraw/zinc/60/30/26/597603026.db2.gz RYKKRGXNGKOSHW-KRWDZBQOSA-N 2 0 327.469 1.154 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883045884 597629965 /nfs/dbraw/zinc/62/99/65/597629965.db2.gz PZOKPSZRRSPTGH-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP CCCCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)C1(C)C ZINC000878599415 597650284 /nfs/dbraw/zinc/65/02/84/597650284.db2.gz MFZPFRYUXMTEON-JKSUJKDBSA-N 2 0 325.497 1.770 20 0 EDADRP CC1(C)C[C@H](O)C[NH+](CCOCC[N@H+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879621988 597662132 /nfs/dbraw/zinc/66/21/32/597662132.db2.gz JZLPLUVMFDPXEW-HOTGVXAUSA-N 2 0 328.497 1.189 20 0 EDADRP c1nnnn1CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000878649134 597667585 /nfs/dbraw/zinc/66/75/85/597667585.db2.gz XMCDVFYLGGQXFE-UHFFFAOYSA-N 2 0 326.448 1.661 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883212965 597686982 /nfs/dbraw/zinc/68/69/82/597686982.db2.gz SWXUUGMNLNBMPB-OAHLLOKOSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](CF)C1 ZINC000883250748 597694173 /nfs/dbraw/zinc/69/41/73/597694173.db2.gz MNSWSCGCBOXWLW-INIZCTEOSA-N 2 0 349.454 1.595 20 0 EDADRP CC(C)C[N@H+](CCN1C(=O)NC(C)(C)C1=O)CC1CC[NH+](C)CC1 ZINC000879701822 597694621 /nfs/dbraw/zinc/69/46/21/597694621.db2.gz BTTCLCJDRMMFPR-UHFFFAOYSA-N 2 0 338.496 1.617 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000131776399 597739816 /nfs/dbraw/zinc/73/98/16/597739816.db2.gz LWZMNZBMMPZXBC-INIZCTEOSA-N 2 0 331.416 1.676 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000131780249 597740573 /nfs/dbraw/zinc/74/05/73/597740573.db2.gz ZPTBNJSPBLZCCF-CQSZACIVSA-N 2 0 331.416 1.534 20 0 EDADRP CCc1ncsc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000878995603 597779149 /nfs/dbraw/zinc/77/91/49/597779149.db2.gz DNJUYNINDFGCLT-CHWSQXEVSA-N 2 0 339.509 1.909 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883510048 597782108 /nfs/dbraw/zinc/78/21/08/597782108.db2.gz HCJFREWMSSPCGG-IIDMSEBBSA-N 2 0 343.475 1.784 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883575931 597809209 /nfs/dbraw/zinc/80/92/09/597809209.db2.gz UOBAHTDIACOWOA-CMPLNLGQSA-N 2 0 331.342 1.191 20 0 EDADRP CCN(CC[NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883585283 597813660 /nfs/dbraw/zinc/81/36/60/597813660.db2.gz LBLVKWUDRKAFQW-KRWDZBQOSA-N 2 0 331.464 1.784 20 0 EDADRP COCC[N@@H+](Cc1cc(-c2cnn(C)c2)no1)CC1CC[NH+](C)CC1 ZINC000879125730 597827653 /nfs/dbraw/zinc/82/76/53/597827653.db2.gz HFYYZCBOWIRYRH-UHFFFAOYSA-N 2 0 347.463 1.865 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000127634642 597874101 /nfs/dbraw/zinc/87/41/01/597874101.db2.gz HWDSGUZCBXTXCY-ZDUSSCGKSA-N 2 0 331.416 1.534 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000127640434 597874454 /nfs/dbraw/zinc/87/44/54/597874454.db2.gz QNYCGVDOXBHJKQ-KBPBESRZSA-N 2 0 331.416 1.534 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000880517773 597953577 /nfs/dbraw/zinc/95/35/77/597953577.db2.gz WMFMNNUQFTWJNW-IBGZPJMESA-N 2 0 333.476 1.557 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884040763 597975411 /nfs/dbraw/zinc/97/54/11/597975411.db2.gz CNGICXTYQBYFGL-LBPRGKRZSA-N 2 0 328.254 1.892 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC000880669758 597992272 /nfs/dbraw/zinc/99/22/72/597992272.db2.gz IKVUXBXBWQPMEH-KRWDZBQOSA-N 2 0 346.475 1.251 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000884177413 598015885 /nfs/dbraw/zinc/01/58/85/598015885.db2.gz IWLKFYVBHHMIBB-SJORKVTESA-N 2 0 335.448 1.312 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC1CC[NH+](CCOC)CC1 ZINC000884198969 598025315 /nfs/dbraw/zinc/02/53/15/598025315.db2.gz LXQMAYSIUZCYHM-UHFFFAOYSA-N 2 0 335.448 1.125 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(n1)CCCC2 ZINC000880948861 598037791 /nfs/dbraw/zinc/03/77/91/598037791.db2.gz JYMHGSOCXRQVDT-UHFFFAOYSA-N 2 0 333.480 1.918 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000884291398 598057059 /nfs/dbraw/zinc/05/70/59/598057059.db2.gz XKPNNSPDUMWJJZ-CRAIPNDOSA-N 2 0 340.471 1.886 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000884369616 598083817 /nfs/dbraw/zinc/08/38/17/598083817.db2.gz KCCKKDBDECUEDI-RCCFBDPRSA-N 2 0 327.472 1.965 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccc2oc(=O)oc2c1)N1CC[NH+](C)CC1 ZINC000882886974 598095961 /nfs/dbraw/zinc/09/59/61/598095961.db2.gz USBWNHSWYKVDGV-OAHLLOKOSA-N 2 0 333.432 1.748 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N[C@@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001015723870 696711164 /nfs/dbraw/zinc/71/11/64/696711164.db2.gz XSGLBMNAOWUISD-IJLUTSLNSA-N 2 0 330.354 1.667 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995017526 699983708 /nfs/dbraw/zinc/98/37/08/699983708.db2.gz VXBHIGFNHBBQTF-HUUCEWRRSA-N 2 0 347.463 1.381 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856891 700005867 /nfs/dbraw/zinc/00/58/67/700005867.db2.gz LLALHKJWVUZJQD-KGXSXCIVSA-N 2 0 347.503 1.478 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000915135234 695747763 /nfs/dbraw/zinc/74/77/63/695747763.db2.gz HGXRVIGQZYJNEF-OAGGEKHMSA-N 2 0 340.537 1.596 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000915457300 695826010 /nfs/dbraw/zinc/82/60/10/695826010.db2.gz AKOAYEHYEOAHHA-GJZGRUSLSA-N 2 0 336.505 1.963 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CN2CCc3sccc3C2)CC[N@@H+]1CCO ZINC000948061636 696012083 /nfs/dbraw/zinc/01/20/83/696012083.db2.gz XNCNFBJVHCEFMU-HIFRSBDPSA-N 2 0 337.489 1.068 20 0 EDADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@@H]2C)ccc2c[nH+]cn21 ZINC000993500166 696179200 /nfs/dbraw/zinc/17/92/00/696179200.db2.gz IRBZAESCYLJVMP-PBHICJAKSA-N 2 0 330.432 1.608 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=S)NCC[NH+](C)C)cc2)CC1 ZINC000916547727 696676429 /nfs/dbraw/zinc/67/64/29/696676429.db2.gz GGVSWXJTJQVPOU-UHFFFAOYSA-N 2 0 335.521 1.677 20 0 EDADRP COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940007991 700109473 /nfs/dbraw/zinc/10/94/73/700109473.db2.gz CSELWKZVSBWVDR-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940007996 700109566 /nfs/dbraw/zinc/10/95/66/700109566.db2.gz CVNDMYQVBLSBFW-ZDUSSCGKSA-N 2 0 337.493 1.411 20 0 EDADRP CCN1CCO[C@H](C(=O)NC2CN(C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001031419023 697072721 /nfs/dbraw/zinc/07/27/21/697072721.db2.gz RMNZKBRLAAIUKD-HIFRSBDPSA-N 2 0 345.434 1.333 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)C1 ZINC000918122220 697133993 /nfs/dbraw/zinc/13/39/93/697133993.db2.gz SUBPTGJYTJZWQS-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001031584376 697279914 /nfs/dbraw/zinc/27/99/14/697279914.db2.gz CFKBNTJSRVMDOM-SJORKVTESA-N 2 0 335.423 1.001 20 0 EDADRP Cc1c(C(=O)N2CC[NH+](CC[C@@H]3CCOC3)CC2)ccc2c[nH+]cn21 ZINC000949022426 697342289 /nfs/dbraw/zinc/34/22/89/697342289.db2.gz FDCQDNDAUWXXAT-MRXNPFEDSA-N 2 0 342.443 1.827 20 0 EDADRP Cc1cccnc1CN1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668280 697459727 /nfs/dbraw/zinc/45/97/27/697459727.db2.gz CBWNINVLNUPOPB-QZTJIDSGSA-N 2 0 342.487 1.812 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669440 697464547 /nfs/dbraw/zinc/46/45/47/697464547.db2.gz KFJWZJGVUDWDAD-HOTGVXAUSA-N 2 0 348.516 1.608 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC000920758835 697475526 /nfs/dbraw/zinc/47/55/26/697475526.db2.gz NXQLTBURPDEXOF-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672793 697480870 /nfs/dbraw/zinc/48/08/70/697480870.db2.gz OZXTUAMCJVQUJQ-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681616 697505452 /nfs/dbraw/zinc/50/54/52/697505452.db2.gz BGPINODHFVZWPU-UKRRQHHQSA-N 2 0 336.505 1.382 20 0 EDADRP Cc1nc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cs1 ZINC001031681778 697505685 /nfs/dbraw/zinc/50/56/85/697505685.db2.gz JEYRJYMOOPYBHA-MLGOLLRUSA-N 2 0 336.505 1.382 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941471033 701549939 /nfs/dbraw/zinc/54/99/39/701549939.db2.gz NWVQNEIABFKXFH-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000940124438 700258012 /nfs/dbraw/zinc/25/80/12/700258012.db2.gz DHRAFRYPTSSUDW-HOTGVXAUSA-N 2 0 348.447 1.009 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118723 698986483 /nfs/dbraw/zinc/98/64/83/698986483.db2.gz QTLNCLNZCFBGAS-IBGZPJMESA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053555 699113737 /nfs/dbraw/zinc/11/37/37/699113737.db2.gz APPCBNLBFMFTMV-DOMZBBRYSA-N 2 0 336.505 1.730 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939054988 699115557 /nfs/dbraw/zinc/11/55/57/699115557.db2.gz RWIOYXXUBPWBJE-WMLDXEAASA-N 2 0 346.475 1.369 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031774528 699146452 /nfs/dbraw/zinc/14/64/52/699146452.db2.gz AQPWOPZEVIRWMV-HIFRSBDPSA-N 2 0 329.435 1.954 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941532239 701572809 /nfs/dbraw/zinc/57/28/09/701572809.db2.gz UNFDUNYPFVEBGZ-LJQANCHMSA-N 2 0 348.535 1.632 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)C1 ZINC000941554006 701578752 /nfs/dbraw/zinc/57/87/52/701578752.db2.gz VOPWJZKPAJXVTJ-SJLPKXTDSA-N 2 0 338.540 1.447 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)C1 ZINC000941567371 701579754 /nfs/dbraw/zinc/57/97/54/701579754.db2.gz SEALGGKYIHTLFN-DLBZAZTESA-N 2 0 336.524 1.203 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC001031799917 699330490 /nfs/dbraw/zinc/33/04/90/699330490.db2.gz JNRKHWGWWOJPLX-CQSZACIVSA-N 2 0 328.416 1.341 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941602848 701593265 /nfs/dbraw/zinc/59/32/65/701593265.db2.gz BBORUYCTBWKKLB-WMZOPIPTSA-N 2 0 334.508 1.240 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939397126 699546964 /nfs/dbraw/zinc/54/69/64/699546964.db2.gz LMWHFVMXLLQAFY-NVXWUHKLSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939543392 699684424 /nfs/dbraw/zinc/68/44/24/699684424.db2.gz CKCICVMNRPOGOZ-CJNGLKHVSA-N 2 0 332.423 1.253 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544268 699685540 /nfs/dbraw/zinc/68/55/40/699685540.db2.gz IVOVKESQVQJSDB-JSGCOSHPSA-N 2 0 334.489 1.484 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939546752 699688773 /nfs/dbraw/zinc/68/87/73/699688773.db2.gz SVVQATJOOCJHIA-HOCLYGCPSA-N 2 0 344.459 1.123 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939627246 699765037 /nfs/dbraw/zinc/76/50/37/699765037.db2.gz RAFZTGFHIUZUJW-ACJLOTCBSA-N 2 0 342.443 1.390 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941676632 701615561 /nfs/dbraw/zinc/61/55/61/701615561.db2.gz BTMHTNISVPASRY-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939756730 699923097 /nfs/dbraw/zinc/92/30/97/699923097.db2.gz WDBQIXZMJZWSCY-SJLPKXTDSA-N 2 0 344.503 1.785 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1)c1ccc2c[nH+]cn2c1 ZINC001031850660 699945509 /nfs/dbraw/zinc/94/55/09/699945509.db2.gz JMPFXFRBHXTOEN-APWZRJJASA-N 2 0 340.427 1.423 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)c1ccc2c[nH+]cn2c1 ZINC001031850661 699945530 /nfs/dbraw/zinc/94/55/30/699945530.db2.gz JMPFXFRBHXTOEN-LPHOPBHVSA-N 2 0 340.427 1.423 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1)C12CCC[NH+]1CCC2 ZINC000995013013 699962274 /nfs/dbraw/zinc/96/22/74/699962274.db2.gz HBUYQYDCYJNCTE-KGLIPLIRSA-N 2 0 349.504 1.541 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccc(C)n2)CC1)[NH+](C)C ZINC000940176843 700309741 /nfs/dbraw/zinc/30/97/41/700309741.db2.gz RINDQKZRGYEKLZ-OAHLLOKOSA-N 2 0 333.480 1.596 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC000995166685 701629488 /nfs/dbraw/zinc/62/94/88/701629488.db2.gz HBAKTRJIKWUPBK-CABCVRRESA-N 2 0 348.516 1.922 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC000940295876 700467344 /nfs/dbraw/zinc/46/73/44/700467344.db2.gz COMKFDHGVPJOIG-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1nc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)co1 ZINC000948245353 700471603 /nfs/dbraw/zinc/47/16/03/700471603.db2.gz PDWHVFPFEJENAT-SJORKVTESA-N 2 0 334.464 1.890 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccnc(OC)n2)CC1)[NH+](C)C ZINC000940337323 700495029 /nfs/dbraw/zinc/49/50/29/700495029.db2.gz GINSXAXZXBUQJO-HNNXBMFYSA-N 2 0 349.479 1.296 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000940328351 700506247 /nfs/dbraw/zinc/50/62/47/700506247.db2.gz HMXHQXWRVWATJB-OAHLLOKOSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940329586 700509133 /nfs/dbraw/zinc/50/91/33/700509133.db2.gz VRWLUQHJRGPTNI-SUMWQHHRSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000940329867 700509503 /nfs/dbraw/zinc/50/95/03/700509503.db2.gz YYKAPXVPWKFPHQ-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000940426307 700620080 /nfs/dbraw/zinc/62/00/80/700620080.db2.gz PCSNQQIMSYIKED-INIZCTEOSA-N 2 0 347.507 1.541 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000940427868 700621879 /nfs/dbraw/zinc/62/18/79/700621879.db2.gz PTIKVYQUJWOVBF-UHFFFAOYSA-N 2 0 348.447 1.250 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cncc(F)c3)C2)CC1 ZINC000995076656 700651541 /nfs/dbraw/zinc/65/15/41/700651541.db2.gz DYLQGKALVGWASN-KBXCAEBGSA-N 2 0 348.466 1.937 20 0 EDADRP Cn1cnnc1C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472508 700657790 /nfs/dbraw/zinc/65/77/90/700657790.db2.gz ZKOFTEOYEITEBE-UHFFFAOYSA-N 2 0 348.495 1.162 20 0 EDADRP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940457413 700660966 /nfs/dbraw/zinc/66/09/66/700660966.db2.gz DYEKMJYIFJMAPA-MRXNPFEDSA-N 2 0 346.475 1.513 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457483 700661192 /nfs/dbraw/zinc/66/11/92/700661192.db2.gz HTAOWHYHBRWFSP-OAHLLOKOSA-N 2 0 333.480 1.325 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000940457916 700661783 /nfs/dbraw/zinc/66/17/83/700661783.db2.gz ZWIIAQQFZUJQLD-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461508 700664589 /nfs/dbraw/zinc/66/45/89/700664589.db2.gz FIWLRJRXHADVKY-UHFFFAOYSA-N 2 0 330.476 1.957 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900769 700975835 /nfs/dbraw/zinc/97/58/35/700975835.db2.gz HXCBFLUYYVPMTB-IOSXPMGOSA-N 2 0 335.492 1.476 20 0 EDADRP COc1cc(CN2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ccn1 ZINC001031920860 701059683 /nfs/dbraw/zinc/05/96/83/701059683.db2.gz BELFDLFUSVSHMP-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP COC[C@H](C)[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921937 701071485 /nfs/dbraw/zinc/07/14/85/701071485.db2.gz OAQTTWSNKIZVNH-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000995119199 701103940 /nfs/dbraw/zinc/10/39/40/701103940.db2.gz WGJBRLLEXNCXEH-DZGCQCFKSA-N 2 0 330.436 1.069 20 0 EDADRP CCN1CCO[C@H](C(=O)NCC2CN([C@H](C)c3ccccc3F)C2)C1 ZINC001032197525 701695489 /nfs/dbraw/zinc/69/54/89/701695489.db2.gz NFLGEARPTULBQX-KDOFPFPSSA-N 2 0 349.450 1.655 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999167342 706593965 /nfs/dbraw/zinc/59/39/65/706593965.db2.gz BSLRFIZBPRZLSW-VJFUWPCTSA-N 2 0 345.491 1.374 20 0 EDADRP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941165971 701376804 /nfs/dbraw/zinc/37/68/04/701376804.db2.gz CIHGRLZSFISWMX-MRXNPFEDSA-N 2 0 346.475 1.796 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCC(C)CC3)C2)[nH]1 ZINC000995131792 701415114 /nfs/dbraw/zinc/41/51/14/701415114.db2.gz GSHUFPNUXFVOSV-JKSUJKDBSA-N 2 0 348.495 1.220 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999171142 706600931 /nfs/dbraw/zinc/60/09/31/706600931.db2.gz UBNQRYTVHZYNIB-ROUUACIJSA-N 2 0 346.450 1.643 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1)C12CC[NH+](CC1)C2 ZINC001032130225 701837475 /nfs/dbraw/zinc/83/74/75/701837475.db2.gz HSUFOJXPUOQYAT-UHFFFAOYSA-N 2 0 339.483 1.819 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000999177767 706621152 /nfs/dbraw/zinc/62/11/52/706621152.db2.gz ZAKJWLWZERDYPB-HOCLYGCPSA-N 2 0 348.447 1.106 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031976708 701973012 /nfs/dbraw/zinc/97/30/12/701973012.db2.gz RABYLZCJYVMEEM-YJBOKZPZSA-N 2 0 331.460 1.311 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189548 706631840 /nfs/dbraw/zinc/63/18/40/706631840.db2.gz LHDCLXDUTBDHFR-HYVNUMGLSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977127 702011785 /nfs/dbraw/zinc/01/17/85/702011785.db2.gz WZRDPTZGRJRUTI-MGPUTAFESA-N 2 0 341.499 1.921 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995800544 702043169 /nfs/dbraw/zinc/04/31/69/702043169.db2.gz GAOIDXDQLYHYQO-SJORKVTESA-N 2 0 347.507 1.620 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3nnc(C)[nH]3)C(C)(C)C2)CC[N@@H+]1C ZINC000995839172 702118280 /nfs/dbraw/zinc/11/82/80/702118280.db2.gz KFBAVBNPLAHOSR-RRFJBIMHSA-N 2 0 348.495 1.170 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995924713 702250296 /nfs/dbraw/zinc/25/02/96/702250296.db2.gz JICCVLNGSWJNQF-WBVHZDCISA-N 2 0 349.523 1.816 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000995982825 702342539 /nfs/dbraw/zinc/34/25/39/702342539.db2.gz PVGOURSRGFGCJG-IAGOWNOFSA-N 2 0 330.476 1.893 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000942052854 702483996 /nfs/dbraw/zinc/48/39/96/702483996.db2.gz HLKXSPBSICJDSX-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@H]2CCOC2)CC1 ZINC001032665897 706679149 /nfs/dbraw/zinc/67/91/49/706679149.db2.gz LINBKCVBKLBWEL-FHWLQOOXSA-N 2 0 349.519 1.820 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996134969 702564549 /nfs/dbraw/zinc/56/45/49/702564549.db2.gz MCASCQQWLUVBJI-INIZCTEOSA-N 2 0 347.507 1.621 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@H](C)C1 ZINC000942098991 702593446 /nfs/dbraw/zinc/59/34/46/702593446.db2.gz FGITYBUEGXGPSU-UKRRQHHQSA-N 2 0 339.505 1.896 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000999225693 706684080 /nfs/dbraw/zinc/68/40/80/706684080.db2.gz ZKFBPWWFRMVQBG-GRTSSRMGSA-N 2 0 348.495 1.628 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996221950 702632451 /nfs/dbraw/zinc/63/24/51/702632451.db2.gz LJEHZTQDCNDIEI-QGZVFWFLSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)nn1C ZINC000996245744 702649445 /nfs/dbraw/zinc/64/94/45/702649445.db2.gz GVCHJHWMGAMMKZ-KRWDZBQOSA-N 2 0 347.507 1.397 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)CC1 ZINC000996251616 702653425 /nfs/dbraw/zinc/65/34/25/702653425.db2.gz ZBTWGDPCDQWRQQ-KRWDZBQOSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300279 702691952 /nfs/dbraw/zinc/69/19/52/702691952.db2.gz LEWSBTGWKJQOPQ-GDBMZVCRSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)n2)C(C)(C)C1)[NH+](C)C ZINC000996315935 702704112 /nfs/dbraw/zinc/70/41/12/702704112.db2.gz USASAJQYYOMCKT-JKSUJKDBSA-N 2 0 348.491 1.757 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996387119 702750397 /nfs/dbraw/zinc/75/03/97/702750397.db2.gz USQJWXAICWCYHB-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463488 702790811 /nfs/dbraw/zinc/79/08/11/702790811.db2.gz HAOWAAXAAMWYFG-INIZCTEOSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465192 702792426 /nfs/dbraw/zinc/79/24/26/702792426.db2.gz SQGZTGJNKZJAJX-INIZCTEOSA-N 2 0 335.452 1.331 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478675 702810159 /nfs/dbraw/zinc/81/01/59/702810159.db2.gz SVYNHHBVLSKFRJ-HOCLYGCPSA-N 2 0 347.463 1.333 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)co1 ZINC000996500436 702839610 /nfs/dbraw/zinc/83/96/10/702839610.db2.gz DNYLAANRTPUUSC-YJBOKZPZSA-N 2 0 346.475 1.938 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996514924 702850212 /nfs/dbraw/zinc/85/02/12/702850212.db2.gz OEBAGVIADBENOU-NVXWUHKLSA-N 2 0 347.507 1.131 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996521307 702856978 /nfs/dbraw/zinc/85/69/78/702856978.db2.gz RJDAOAFGHDEQRC-HNNXBMFYSA-N 2 0 345.491 1.325 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996612217 702917402 /nfs/dbraw/zinc/91/74/02/702917402.db2.gz QBTXSOHMUJEUKM-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996609528 702920742 /nfs/dbraw/zinc/92/07/42/702920742.db2.gz HIJNABNSRFPYEY-INIZCTEOSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996619055 702925513 /nfs/dbraw/zinc/92/55/13/702925513.db2.gz YIHCUHWVZBCKAJ-SJORKVTESA-N 2 0 330.476 1.668 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C)C(N)=O ZINC000996663530 702961248 /nfs/dbraw/zinc/96/12/48/702961248.db2.gz OZWPBYUSZIHMPD-CJNGLKHVSA-N 2 0 346.475 1.062 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CCO1 ZINC000996667019 702963894 /nfs/dbraw/zinc/96/38/94/702963894.db2.gz VTEYSVOBPSGVJU-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000996666208 702968469 /nfs/dbraw/zinc/96/84/69/702968469.db2.gz PHNFJSWCXZCKJL-INIZCTEOSA-N 2 0 347.507 1.479 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996669522 702971117 /nfs/dbraw/zinc/97/11/17/702971117.db2.gz GPIVLIUXCZONJY-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996669599 702971432 /nfs/dbraw/zinc/97/14/32/702971432.db2.gz PVHLFBYNUOZZIR-MRXNPFEDSA-N 2 0 349.479 1.722 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996681215 702979667 /nfs/dbraw/zinc/97/96/67/702979667.db2.gz XZUZDLFJTLYMNN-QGZVFWFLSA-N 2 0 334.464 1.712 20 0 EDADRP COc1cccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3ccnc3)C2)n1 ZINC000995256751 703006066 /nfs/dbraw/zinc/00/60/66/703006066.db2.gz ZYYWEIPBVSAFGI-CABCVRRESA-N 2 0 343.431 1.361 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996715238 703010283 /nfs/dbraw/zinc/01/02/83/703010283.db2.gz DZGZLQJVJUDZER-CVEARBPZSA-N 2 0 333.436 1.167 20 0 EDADRP O=C(N1CCC([NH2+]Cc2nncs2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996727355 703022352 /nfs/dbraw/zinc/02/23/52/703022352.db2.gz KPGPSLUSZMENMK-UHFFFAOYSA-N 2 0 349.504 1.495 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ccn1 ZINC000996728293 703023148 /nfs/dbraw/zinc/02/31/48/703023148.db2.gz IMAACKNVYSDXOT-KRWDZBQOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)oc1C ZINC000996728647 703023636 /nfs/dbraw/zinc/02/36/36/703023636.db2.gz LQWPYDFGYFNAOX-MRXNPFEDSA-N 2 0 334.464 1.856 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032026324 703052627 /nfs/dbraw/zinc/05/26/27/703052627.db2.gz CDVXYIHQDRPDTJ-SJLPKXTDSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554959 703068128 /nfs/dbraw/zinc/06/81/28/703068128.db2.gz BMXCEAFALIEWLJ-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000942598256 703113469 /nfs/dbraw/zinc/11/34/69/703113469.db2.gz UVWSAHYDAQICOM-RDTXWAMCSA-N 2 0 345.491 1.453 20 0 EDADRP CC(C)[NH2+]C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C(F)(F)F ZINC000996845129 703121781 /nfs/dbraw/zinc/12/17/81/703121781.db2.gz HNRUUDKQGKHCQR-UONOGXRCSA-N 2 0 335.414 1.963 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000996922000 703192751 /nfs/dbraw/zinc/19/27/51/703192751.db2.gz KQHRTENTGGBVOZ-BQFCYCMXSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000996965263 703225590 /nfs/dbraw/zinc/22/55/90/703225590.db2.gz NZTZARIMPSOMTI-QGZVFWFLSA-N 2 0 336.480 1.958 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CC3=CCCCC3)C2)cn1 ZINC001032044137 703235204 /nfs/dbraw/zinc/23/52/04/703235204.db2.gz QPTJQVGFLTYSQA-UHFFFAOYSA-N 2 0 345.491 1.607 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997004110 703261142 /nfs/dbraw/zinc/26/11/42/703261142.db2.gz BSKAATJBMKRVCL-KXBFYZLASA-N 2 0 345.487 1.457 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997008607 703266900 /nfs/dbraw/zinc/26/69/00/703266900.db2.gz VSYYKARYHVFHIL-OAHLLOKOSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000997011393 703271667 /nfs/dbraw/zinc/27/16/67/703271667.db2.gz VHNZOIKFKCFIME-XJKSGUPXSA-N 2 0 331.464 1.063 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]Cc2ncccn2)CC1)[NH+]1CCCCCC1 ZINC000997059526 703304958 /nfs/dbraw/zinc/30/49/58/703304958.db2.gz DWOCAMXYYPOYRX-MRXNPFEDSA-N 2 0 345.491 1.822 20 0 EDADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823343 703332029 /nfs/dbraw/zinc/33/20/29/703332029.db2.gz TZVGADOVGAZMCO-SJORKVTESA-N 2 0 347.507 1.442 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1)OC ZINC001032053281 703403913 /nfs/dbraw/zinc/40/39/13/703403913.db2.gz YCNHZQHFEPAKOP-SFHVURJKSA-N 2 0 333.476 1.835 20 0 EDADRP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408707 703436196 /nfs/dbraw/zinc/43/61/96/703436196.db2.gz DGVZKIPERNGBMN-ILXRZTDVSA-N 2 0 337.443 1.092 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)cn1 ZINC000997187191 703476526 /nfs/dbraw/zinc/47/65/26/703476526.db2.gz XBMOJPOFUHOUCD-FUHWJXTLSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC000997277292 703536105 /nfs/dbraw/zinc/53/61/05/703536105.db2.gz QWYUZNGGPGOPJH-UXLLHSPISA-N 2 0 325.497 1.316 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000997306719 703565346 /nfs/dbraw/zinc/56/53/46/703565346.db2.gz JIEQWRBFFAPFID-UHFFFAOYSA-N 2 0 342.896 1.973 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000997360153 703590370 /nfs/dbraw/zinc/59/03/70/703590370.db2.gz LZPYUAGHERGFRV-HUUCEWRRSA-N 2 0 348.495 1.251 20 0 EDADRP CCc1nc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](CC)[NH+](C)C)o1 ZINC001032474657 703693606 /nfs/dbraw/zinc/69/36/06/703693606.db2.gz HIBJOVKUHQPLBJ-SOUVJXGZSA-N 2 0 334.464 1.671 20 0 EDADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H]1CCOC1 ZINC001032489259 703764145 /nfs/dbraw/zinc/76/41/45/703764145.db2.gz XZQBUAFYLZQUPO-NJAFHUGGSA-N 2 0 349.519 1.961 20 0 EDADRP CC[C@H](CN1CCN(C(=O)c2sccc2C[NH+](C)C)CC1)OC ZINC000948604728 703852315 /nfs/dbraw/zinc/85/23/15/703852315.db2.gz XLHVYHAMUOULRD-OAHLLOKOSA-N 2 0 339.505 1.993 20 0 EDADRP COc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997607644 703904482 /nfs/dbraw/zinc/90/44/82/703904482.db2.gz PCEUMEKQANBFBJ-QGZVFWFLSA-N 2 0 346.475 1.513 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995549262 703932150 /nfs/dbraw/zinc/93/21/50/703932150.db2.gz BVERDNRSPOMPBP-HZPDHXFCSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004204040 703941894 /nfs/dbraw/zinc/94/18/94/703941894.db2.gz ODAGNCBSDCWQDM-OKILXGFUSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922547408 703953435 /nfs/dbraw/zinc/95/34/35/703953435.db2.gz SNJOFQSPTKHUOV-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995552878 703962114 /nfs/dbraw/zinc/96/21/14/703962114.db2.gz RXLUJUMRYSDLII-HZPDHXFCSA-N 2 0 331.464 1.206 20 0 EDADRP CN(C)c1cc(C[NH+]2CCC(NC(=O)Cn3ccnc3)CC2)ccn1 ZINC001004257916 704086105 /nfs/dbraw/zinc/08/61/05/704086105.db2.gz NBJBETUABYGASC-UHFFFAOYSA-N 2 0 342.447 1.125 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033081942 704138027 /nfs/dbraw/zinc/13/80/27/704138027.db2.gz LTDOAZCNXDAJBO-FUHWJXTLSA-N 2 0 337.508 1.961 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033080207 704145677 /nfs/dbraw/zinc/14/56/77/704145677.db2.gz FOUSUMSFYWAFBD-DOTOQJQBSA-N 2 0 348.516 1.560 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033095539 704182627 /nfs/dbraw/zinc/18/26/27/704182627.db2.gz ZFFVEJQVTAOYLL-VNQPRFMTSA-N 2 0 349.479 1.184 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033100465 704217792 /nfs/dbraw/zinc/21/77/92/704217792.db2.gz ZRDSPFGOJYKUQV-RYQLBKOJSA-N 2 0 337.508 1.819 20 0 EDADRP CC[N@H+](C)CCC(=O)N(C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001067635978 704395079 /nfs/dbraw/zinc/39/50/79/704395079.db2.gz DZBSEJPGHXDLKB-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000922845610 704421161 /nfs/dbraw/zinc/42/11/61/704421161.db2.gz FHNJCABDBNXYLN-KLHKWILBSA-N 2 0 333.480 1.811 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)CC[N@@H+]1C ZINC000922878605 704444464 /nfs/dbraw/zinc/44/44/64/704444464.db2.gz OSNVQHXTGJKJOQ-IWCQGFGOSA-N 2 0 331.464 1.466 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCOCC1 ZINC000947933403 704554452 /nfs/dbraw/zinc/55/44/52/704554452.db2.gz AAOJJZUHXHONKU-WMZOPIPTSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997792545 704701218 /nfs/dbraw/zinc/70/12/18/704701218.db2.gz IBBCWGQFOWGSEI-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1ncccn1 ZINC000997829888 704748406 /nfs/dbraw/zinc/74/84/06/704748406.db2.gz DRWGHVYBHRSUPT-WMLDXEAASA-N 2 0 345.491 1.706 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)O1 ZINC000997830304 704748927 /nfs/dbraw/zinc/74/89/27/704748927.db2.gz HNLNCVYCFFLPIO-QAPCUYQASA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997863595 704770594 /nfs/dbraw/zinc/77/05/94/704770594.db2.gz BDAMPRKBRCGLIP-QGZVFWFLSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC000997865368 704772383 /nfs/dbraw/zinc/77/23/83/704772383.db2.gz NKKFYZLEBQZDPR-SFHVURJKSA-N 2 0 347.507 1.541 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)ccn1 ZINC000944945554 704798614 /nfs/dbraw/zinc/79/86/14/704798614.db2.gz SBYYNLLIMNHUJY-WBVHZDCISA-N 2 0 346.475 1.513 20 0 EDADRP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946231 704799276 /nfs/dbraw/zinc/79/92/76/704799276.db2.gz VSEYSGRXAGLTRT-DZGCQCFKSA-N 2 0 336.505 1.874 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCC1 ZINC001032586891 705105776 /nfs/dbraw/zinc/10/57/76/705105776.db2.gz GBTIXRIYNUMMII-GBBGEASQSA-N 2 0 349.519 1.817 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998032903 705218732 /nfs/dbraw/zinc/21/87/32/705218732.db2.gz UVXJZKOGEQZEDW-CYBMUJFWSA-N 2 0 349.479 1.609 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998030804 705220729 /nfs/dbraw/zinc/22/07/29/705220729.db2.gz FWMQVIKIHSAFOY-UHFFFAOYSA-N 2 0 347.507 1.399 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000998046543 705242862 /nfs/dbraw/zinc/24/28/62/705242862.db2.gz JPXHQZKSTGQJIQ-MAUKXSAKSA-N 2 0 347.507 1.952 20 0 EDADRP CCn1nncc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998082565 705310369 /nfs/dbraw/zinc/31/03/69/705310369.db2.gz QTAYZHOUSDITIQ-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(OC)no2)CC1)[NH+](C)C ZINC000998087350 705319844 /nfs/dbraw/zinc/31/98/44/705319844.db2.gz VDFNRSSWSASHDV-HNNXBMFYSA-N 2 0 338.452 1.352 20 0 EDADRP Cc1nnsc1C[NH2+]CC1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000998117624 705366804 /nfs/dbraw/zinc/36/68/04/705366804.db2.gz BENZXMUWCDLSLE-UHFFFAOYSA-N 2 0 334.449 1.141 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC(C[NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC000998133527 705397946 /nfs/dbraw/zinc/39/79/46/705397946.db2.gz AJXQXQFFLXDQSH-SFHVURJKSA-N 2 0 337.508 1.583 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000998189203 705494484 /nfs/dbraw/zinc/49/44/84/705494484.db2.gz MEQKMPXWUGHPJK-IAGOWNOFSA-N 2 0 347.507 1.575 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998216763 705539037 /nfs/dbraw/zinc/53/90/37/705539037.db2.gz KNOQGRXGLXJWKN-KRWDZBQOSA-N 2 0 348.491 1.961 20 0 EDADRP COc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998270806 705649981 /nfs/dbraw/zinc/64/99/81/705649981.db2.gz DQIYECYZCXOVTJ-KRWDZBQOSA-N 2 0 346.475 1.370 20 0 EDADRP C[NH+]1CCC(C(=O)N2CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C2)CC1 ZINC000998284168 705678990 /nfs/dbraw/zinc/67/89/90/705678990.db2.gz FTPZECOFIDEPTM-CHWSQXEVSA-N 2 0 339.377 1.667 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998286115 705680108 /nfs/dbraw/zinc/68/01/08/705680108.db2.gz FSTHVUDMXVREMW-IYBDPMFKSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998288911 705689431 /nfs/dbraw/zinc/68/94/31/705689431.db2.gz XRLSYEFKVSVSJY-IYBDPMFKSA-N 2 0 345.491 1.678 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1C1CC1 ZINC000998547831 705980578 /nfs/dbraw/zinc/98/05/78/705980578.db2.gz AXKFOYDRESUHLQ-AVVWSFFYSA-N 2 0 346.479 1.095 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728166 706158280 /nfs/dbraw/zinc/15/82/80/706158280.db2.gz BTRIUDSFLMPMAE-SJLPKXTDSA-N 2 0 349.450 1.493 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731573 706164312 /nfs/dbraw/zinc/16/43/12/706164312.db2.gz OLDWPTNXEFUVKW-YJBOKZPZSA-N 2 0 345.491 1.394 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762741 706200922 /nfs/dbraw/zinc/20/09/22/706200922.db2.gz GPVDNELTRNUSLJ-UYSNPLJNSA-N 2 0 334.464 1.935 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000998780552 706221374 /nfs/dbraw/zinc/22/13/74/706221374.db2.gz PDCHFWQZMLTHKM-VJFUWPCTSA-N 2 0 343.475 1.206 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC000998793324 706240065 /nfs/dbraw/zinc/24/00/65/706240065.db2.gz HEBRNTAAJLEYHZ-ZGUYJTEBSA-N 2 0 337.508 1.722 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2CC)C1 ZINC000998867248 706297027 /nfs/dbraw/zinc/29/70/27/706297027.db2.gz OVWLLVSNHXIXMS-JCYILVPMSA-N 2 0 347.507 1.856 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000998986750 706418612 /nfs/dbraw/zinc/41/86/12/706418612.db2.gz JDVALPIPKXBHKV-AOCRQIFASA-N 2 0 349.519 1.868 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998987269 706419022 /nfs/dbraw/zinc/41/90/22/706419022.db2.gz KSRWLWCEADOXFO-UHFFFAOYSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CCc3ncc[nH]3)C2)nn1C ZINC000999038073 706453641 /nfs/dbraw/zinc/45/36/41/706453641.db2.gz DBWNVRLMNDMVCA-CQSZACIVSA-N 2 0 330.436 1.165 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999057684 706479420 /nfs/dbraw/zinc/47/94/20/706479420.db2.gz PTSGZELFLURLEJ-UHFFFAOYSA-N 2 0 338.415 1.461 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999147006 706560411 /nfs/dbraw/zinc/56/04/11/706560411.db2.gz ZKKAKSITEQOZRX-SJLPKXTDSA-N 2 0 347.507 1.416 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946518118 706574992 /nfs/dbraw/zinc/57/49/92/706574992.db2.gz OELPMVWZHZIWKG-AKHDSKFASA-N 2 0 349.519 1.678 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343770 706855461 /nfs/dbraw/zinc/85/54/61/706855461.db2.gz RDAKPOGVZYOLKN-UHFFFAOYSA-N 2 0 333.480 1.324 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)cn1 ZINC000999348816 706861099 /nfs/dbraw/zinc/86/10/99/706861099.db2.gz QODMSIDLAXIXBK-INIZCTEOSA-N 2 0 331.464 1.350 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999366021 706879983 /nfs/dbraw/zinc/87/99/83/706879983.db2.gz SQQDYWSVDPEAHG-INIZCTEOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999400901 706896118 /nfs/dbraw/zinc/89/61/18/706896118.db2.gz MNMMZDOTXTXOPO-HOTGVXAUSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999409760 706919798 /nfs/dbraw/zinc/91/97/98/706919798.db2.gz SMJBJMJOHHVXNG-LMWSTFAQSA-N 2 0 337.493 1.267 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999410519 706920255 /nfs/dbraw/zinc/92/02/55/706920255.db2.gz YGSBENGPSDRQHT-NVPAJSRCSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)ncn1 ZINC000999433162 706941021 /nfs/dbraw/zinc/94/10/21/706941021.db2.gz KEOAVWDWVFIRPB-WBVHZDCISA-N 2 0 333.480 1.452 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999506863 707004402 /nfs/dbraw/zinc/00/44/02/707004402.db2.gz CBXHGNILFNDXDD-JKSUJKDBSA-N 2 0 333.480 1.468 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC000999491863 707028160 /nfs/dbraw/zinc/02/81/60/707028160.db2.gz XPWYYIZBBKRTJF-DLBZAZTESA-N 2 0 335.496 1.885 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999596284 707099369 /nfs/dbraw/zinc/09/93/69/707099369.db2.gz KSYJAGVCUQHMBN-QGZVFWFLSA-N 2 0 345.491 1.612 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999619951 707139932 /nfs/dbraw/zinc/13/99/32/707139932.db2.gz MLYPJXXBMUAXJN-OAHLLOKOSA-N 2 0 338.415 1.462 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CC1 ZINC000999631587 707157499 /nfs/dbraw/zinc/15/74/99/707157499.db2.gz NWCBKIJDLYGJFH-UHFFFAOYSA-N 2 0 347.507 1.583 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681938 707167306 /nfs/dbraw/zinc/16/73/06/707167306.db2.gz LFHVRTWOZRGHEL-QQFBHYJXSA-N 2 0 348.495 1.109 20 0 EDADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033255259 707244804 /nfs/dbraw/zinc/24/48/04/707244804.db2.gz IXQODGLHWBGGPZ-MRXNPFEDSA-N 2 0 325.416 1.824 20 0 EDADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004846755 707465535 /nfs/dbraw/zinc/46/55/35/707465535.db2.gz LWKBBWNOOXUYKW-UKRRQHHQSA-N 2 0 345.451 1.030 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C[C@@H](O)c2ccc(F)cc2)C1 ZINC000999834104 707467066 /nfs/dbraw/zinc/46/70/66/707467066.db2.gz RFBLNHDPTFGQIH-DAWZGUTISA-N 2 0 349.450 1.534 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033308214 707472882 /nfs/dbraw/zinc/47/28/82/707472882.db2.gz FHUJAZLPBAGXQJ-PBHICJAKSA-N 2 0 328.416 1.399 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1C ZINC000999875129 707521097 /nfs/dbraw/zinc/52/10/97/707521097.db2.gz CGPSEMZFJUWWMB-INIZCTEOSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1)[NH+]1CCCC1 ZINC000999875631 707522575 /nfs/dbraw/zinc/52/25/75/707522575.db2.gz HOZXPQKDABCFKF-CYBMUJFWSA-N 2 0 337.493 1.493 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1(C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001000106956 707700302 /nfs/dbraw/zinc/70/03/02/707700302.db2.gz VQNCXIMTZPFLFE-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001033415580 707791853 /nfs/dbraw/zinc/79/18/53/707791853.db2.gz JLZAIXZCAYOVAA-WMZOPIPTSA-N 2 0 330.476 1.907 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001000193648 707830502 /nfs/dbraw/zinc/83/05/02/707830502.db2.gz QRBKMQPWOBDFIO-GDBMZVCRSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001033420517 707831530 /nfs/dbraw/zinc/83/15/30/707831530.db2.gz QDMNPGLXYIZESC-NVXWUHKLSA-N 2 0 330.476 1.765 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033227604 707844358 /nfs/dbraw/zinc/84/43/58/707844358.db2.gz FDOVAGQZOCBOAQ-SJORKVTESA-N 2 0 335.492 1.574 20 0 EDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989044 707846773 /nfs/dbraw/zinc/84/67/73/707846773.db2.gz DRVXXASSXLMNRH-NVXWUHKLSA-N 2 0 333.480 1.375 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033225449 707853653 /nfs/dbraw/zinc/85/36/53/707853653.db2.gz HDOGONOZRYPUHS-IRXDYDNUSA-N 2 0 335.492 1.717 20 0 EDADRP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536767 707901030 /nfs/dbraw/zinc/90/10/30/707901030.db2.gz XNEBWGBEAYFFCB-JTUBXYIQSA-N 2 0 341.883 1.240 20 0 EDADRP COc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001032782070 707972024 /nfs/dbraw/zinc/97/20/24/707972024.db2.gz SUHHOHOIMRHTLO-IKGGRYGDSA-N 2 0 329.444 1.432 20 0 EDADRP O=c1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc[nH]1 ZINC000921766034 708002806 /nfs/dbraw/zinc/00/28/06/708002806.db2.gz CSUACBMMCJUSMP-ROUUACIJSA-N 2 0 327.428 1.760 20 0 EDADRP CN(C)c1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033666090 708450110 /nfs/dbraw/zinc/45/01/10/708450110.db2.gz UOKKGMCDSBQYFN-IRXDYDNUSA-N 2 0 345.491 1.132 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC001002005394 708522554 /nfs/dbraw/zinc/52/25/54/708522554.db2.gz QWENMTPZWRZQMD-OAHLLOKOSA-N 2 0 325.497 1.316 20 0 EDADRP O=C(NCC1CC[NH+](CC[C@@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001002042316 708563456 /nfs/dbraw/zinc/56/34/56/708563456.db2.gz FQYJCOKNVNGMED-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP COc1cccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001002120052 708633701 /nfs/dbraw/zinc/63/37/01/708633701.db2.gz FAGHIKOLKZXSQD-SFHVURJKSA-N 2 0 345.487 1.975 20 0 EDADRP CCn1ccnc1CN1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002120606 708634342 /nfs/dbraw/zinc/63/43/42/708634342.db2.gz JKZFWRJRRFAUAZ-MRXNPFEDSA-N 2 0 333.480 1.183 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033830614 708852091 /nfs/dbraw/zinc/85/20/91/708852091.db2.gz LNAFBUPAMNVVJJ-MSOLQXFVSA-N 2 0 345.491 1.148 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033839247 708869130 /nfs/dbraw/zinc/86/91/30/708869130.db2.gz QXVKBNQDJJFYPN-BPQIPLTHSA-N 2 0 330.476 1.845 20 0 EDADRP CC[C@H](F)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005395971 708877130 /nfs/dbraw/zinc/87/71/30/708877130.db2.gz DXTHOMKGVAICMC-DOTOQJQBSA-N 2 0 325.472 1.999 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033926331 709054832 /nfs/dbraw/zinc/05/48/32/709054832.db2.gz BDYQMDYRHGLDHS-WMZOPIPTSA-N 2 0 337.508 1.963 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](C)COC)CC1 ZINC001005476609 709113763 /nfs/dbraw/zinc/11/37/63/709113763.db2.gz OTESKVYEMAHVSD-WBVHZDCISA-N 2 0 325.497 1.819 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033941601 709148446 /nfs/dbraw/zinc/14/84/46/709148446.db2.gz QSQZMCRMCONYTN-AEFFLSMTSA-N 2 0 337.508 1.678 20 0 EDADRP CCc1nc(C)c(C[N@H+]2CC[C@H](N(CC)C(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034040391 709273710 /nfs/dbraw/zinc/27/37/10/709273710.db2.gz TXTPAEVOQXDZJO-HOTGVXAUSA-N 2 0 348.491 1.920 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001034129520 709398963 /nfs/dbraw/zinc/39/89/63/709398963.db2.gz CJSDSMLBLCONBG-WBVHZDCISA-N 2 0 333.480 1.028 20 0 EDADRP O=C(NC1CC[NH+](CCCO)CC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001002821663 709441160 /nfs/dbraw/zinc/44/11/60/709441160.db2.gz CSJUHNTYQLUSJQ-INIZCTEOSA-N 2 0 337.508 1.604 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002828917 709446255 /nfs/dbraw/zinc/44/62/55/709446255.db2.gz LWBFJJZHRQMBNS-SFHVURJKSA-N 2 0 335.492 1.335 20 0 EDADRP CC1(C)CC(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC001002874458 709480897 /nfs/dbraw/zinc/48/08/97/709480897.db2.gz IKBOKQYADRSSNU-QZTJIDSGSA-N 2 0 349.519 1.866 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000702391987 709510546 /nfs/dbraw/zinc/51/05/46/709510546.db2.gz QGRPRCWRPHNRMH-HPFXQQBRSA-N 2 0 332.492 1.385 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001002954646 709655259 /nfs/dbraw/zinc/65/52/59/709655259.db2.gz HNQBRBNRFNGXMI-QGZVFWFLSA-N 2 0 333.480 1.338 20 0 EDADRP O=C(N[C@@H]1CCCC[N@@H+](CCCO)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034303780 709742139 /nfs/dbraw/zinc/74/21/39/709742139.db2.gz KNEDGIMNSGWJSF-OAHLLOKOSA-N 2 0 343.431 1.234 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340462 709803626 /nfs/dbraw/zinc/80/36/26/709803626.db2.gz NWVOJELLJAZGIQ-CVEARBPZSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cc(CN2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC001034387140 709916302 /nfs/dbraw/zinc/91/63/02/709916302.db2.gz WEQKGYVGTITPJJ-QGZVFWFLSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490780 710110136 /nfs/dbraw/zinc/11/01/36/710110136.db2.gz NALBAWSRJNPIBQ-WBVHZDCISA-N 2 0 334.464 1.796 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034606770 710269902 /nfs/dbraw/zinc/26/99/02/710269902.db2.gz CUJHUVPLTHZJRP-ZOBUZTSGSA-N 2 0 334.464 1.903 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034607749 710271490 /nfs/dbraw/zinc/27/14/90/710271490.db2.gz SAIZEGBQQSGYAH-AJNGGQMLSA-N 2 0 349.479 1.804 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001034649731 710326136 /nfs/dbraw/zinc/32/61/36/710326136.db2.gz RPGHSQILDYLXIS-UOVPBQLFSA-N 2 0 347.507 1.667 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003745376 710528203 /nfs/dbraw/zinc/52/82/03/710528203.db2.gz PLCFHVDOWSHVTC-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034672683 710605797 /nfs/dbraw/zinc/60/57/97/710605797.db2.gz RGYCBLXCNUYUFN-BQFCYCMXSA-N 2 0 345.491 1.786 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001034704209 710814287 /nfs/dbraw/zinc/81/42/87/710814287.db2.gz KGFICMGOYZUIIL-BRWVUGGUSA-N 2 0 337.508 1.914 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034704864 710816378 /nfs/dbraw/zinc/81/63/78/710816378.db2.gz XTUOQONWZRFKJA-SHTZXODSSA-N 2 0 349.479 1.769 20 0 EDADRP Cn1nc2c(c1CNc1cc(N3CC[NH+](C)CC3)cc[nH+]1)COCC2 ZINC000922308910 710824283 /nfs/dbraw/zinc/82/42/83/710824283.db2.gz ODBCGCHTRGVOMB-UHFFFAOYSA-N 2 0 342.447 1.252 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)C1 ZINC001034734683 710917001 /nfs/dbraw/zinc/91/70/01/710917001.db2.gz VEUZKAQOKHYUEH-BRWVUGGUSA-N 2 0 330.476 1.940 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+][C@@H](C)C(N)=O)CC1)[NH+]1CCCCCC1 ZINC001034748696 710955502 /nfs/dbraw/zinc/95/55/02/710955502.db2.gz BANFNWGRXRUYIB-FZKCQIBNSA-N 2 0 338.496 1.142 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001032960639 710970209 /nfs/dbraw/zinc/97/02/09/710970209.db2.gz YCQQABQVWCLJLR-SJLPKXTDSA-N 2 0 349.450 1.831 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1nncn1C ZINC001034776361 711052778 /nfs/dbraw/zinc/05/27/78/711052778.db2.gz QIDKSWUJUJTPIG-VGWMRTNUSA-N 2 0 348.495 1.235 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001034777955 711057894 /nfs/dbraw/zinc/05/78/94/711057894.db2.gz NHTOWDCQHJVUHW-BRWVUGGUSA-N 2 0 335.492 1.668 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1)C12CC[NH+](CC1)C2 ZINC001034778615 711081925 /nfs/dbraw/zinc/08/19/25/711081925.db2.gz WQIOAAKLAKPLOA-SHTZXODSSA-N 2 0 329.448 1.089 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001034786326 711090159 /nfs/dbraw/zinc/09/01/59/711090159.db2.gz MCLSDHVYOJQTFW-BXWFABGCSA-N 2 0 345.491 1.423 20 0 EDADRP COc1nccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034794923 711112404 /nfs/dbraw/zinc/11/24/04/711112404.db2.gz PVGPCMIYPRTHNI-SHTZXODSSA-N 2 0 347.463 1.098 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001034792149 711118441 /nfs/dbraw/zinc/11/84/41/711118441.db2.gz GECNLPSOCXOFPY-YZMJHREJSA-N 2 0 337.508 1.770 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001034792404 711119440 /nfs/dbraw/zinc/11/94/40/711119440.db2.gz IWQCZKPIBHDUFY-RBSFLKMASA-N 2 0 336.505 1.920 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034793285 711123021 /nfs/dbraw/zinc/12/30/21/711123021.db2.gz VJVQGYPHQPOKQP-XIRDDKMYSA-N 2 0 333.480 1.197 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034793915 711125009 /nfs/dbraw/zinc/12/50/09/711125009.db2.gz VGPZGBMJSPUIGM-QAQDUYKDSA-N 2 0 331.464 1.398 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC001034793921 711125049 /nfs/dbraw/zinc/12/50/49/711125049.db2.gz VKOYRNAVETTWIH-KKUMJFAQSA-N 2 0 348.495 1.541 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003968746 711145018 /nfs/dbraw/zinc/14/50/18/711145018.db2.gz TZKLKWOWQBTEBU-OAHLLOKOSA-N 2 0 333.480 1.151 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C(C)C)on1 ZINC001034936028 711364365 /nfs/dbraw/zinc/36/43/65/711364365.db2.gz HSXVTPLXNZNQQP-WBVHZDCISA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1CC ZINC001034955038 711421440 /nfs/dbraw/zinc/42/14/40/711421440.db2.gz YKMYNSFKNUTVKS-SJORKVTESA-N 2 0 347.507 1.858 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387799 711427861 /nfs/dbraw/zinc/42/78/61/711427861.db2.gz BAVGCSGFPHEBAJ-GKLJAUDBSA-N 2 0 342.434 1.927 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccnn2C)C1 ZINC001034958274 711431533 /nfs/dbraw/zinc/43/15/33/711431533.db2.gz GFIAJPCAOSSJQT-FUHWJXTLSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3c(cnn3C)c1)C2 ZINC000922389826 711437881 /nfs/dbraw/zinc/43/78/81/711437881.db2.gz KOUQVBYMVIRFCR-VXIBKDFQSA-N 2 0 343.475 1.538 20 0 EDADRP Cn1nncc1C[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001034937445 711438458 /nfs/dbraw/zinc/43/84/58/711438458.db2.gz QYFCRCKWEVIIIO-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)n(C)n2)CC[N@@H+]1C ZINC001034941005 711445071 /nfs/dbraw/zinc/44/50/71/711445071.db2.gz KSXBIGIDNQMNLR-FGTMMUONSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)on1 ZINC001034941388 711446138 /nfs/dbraw/zinc/44/61/38/711446138.db2.gz NUEHWTUMJYXABZ-WBVHZDCISA-N 2 0 332.448 1.405 20 0 EDADRP COc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)n1 ZINC001034972230 711452155 /nfs/dbraw/zinc/45/21/55/711452155.db2.gz DCLIAWKWVRBDLY-CVEARBPZSA-N 2 0 347.463 1.050 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(Cl)n1C)C2 ZINC000922391158 711455466 /nfs/dbraw/zinc/45/54/66/711455466.db2.gz UELMTFOCULBYPR-HGTKMLMNSA-N 2 0 326.872 1.643 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(N(C)C)n3)C2)[C@H]1C(C)C ZINC000922395621 711469232 /nfs/dbraw/zinc/46/92/32/711469232.db2.gz XOMKGUMUPQSXDR-MTNOOBJLSA-N 2 0 347.507 1.502 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396062 711470800 /nfs/dbraw/zinc/47/08/00/711470800.db2.gz ZUFXKPYLBYVDSD-DDBAPUKQSA-N 2 0 335.496 1.566 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546065 711957307 /nfs/dbraw/zinc/95/73/07/711957307.db2.gz FWSNAXANPNDHHI-WMZOPIPTSA-N 2 0 337.508 1.820 20 0 EDADRP O=C([C@@H]1CCc2cncn2C1)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946652509 712205165 /nfs/dbraw/zinc/20/51/65/712205165.db2.gz WAFYRIBHCFYQBC-OWCLPIDISA-N 2 0 334.439 1.585 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000357138046 282090010 /nfs/dbraw/zinc/09/00/10/282090010.db2.gz NPTMIJFFPXGYHM-GDBMZVCRSA-N 2 0 336.484 1.006 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C[C@H](C)O1 ZINC000431527500 305078842 /nfs/dbraw/zinc/07/88/42/305078842.db2.gz DUIXKGGCQGLXIH-BBWFWOEESA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cc(=O)n2nc(CN(C)CC[C@@H]3CCCC[N@@H+]3C)sc2n1 ZINC000173949670 231077229 /nfs/dbraw/zinc/07/72/29/231077229.db2.gz DBVLHBCMNRXUGN-ZDUSSCGKSA-N 2 0 335.477 1.766 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H](CC(C)C)N1CCOCC1)C(C)C ZINC000102551535 219210353 /nfs/dbraw/zinc/21/03/53/219210353.db2.gz UYMMXTFKQGRMGB-QGZVFWFLSA-N 2 0 342.528 1.763 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000436126285 539569558 /nfs/dbraw/zinc/56/95/58/539569558.db2.gz QPFUROFYESLETD-CABCVRRESA-N 2 0 328.501 1.203 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000561146524 306282676 /nfs/dbraw/zinc/28/26/76/306282676.db2.gz GCPHQNLGVDWHBF-UHFFFAOYSA-N 2 0 338.496 1.320 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000561157099 306283374 /nfs/dbraw/zinc/28/33/74/306283374.db2.gz USWUJJRTPOZTHP-LJQANCHMSA-N 2 0 345.487 1.737 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000561190845 306284069 /nfs/dbraw/zinc/28/40/69/306284069.db2.gz FFFRUZVIZIROLC-YOEHRIQHSA-N 2 0 331.464 1.658 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COc1ccc2c(c1)OCO2 ZINC000339073636 539699174 /nfs/dbraw/zinc/69/91/74/539699174.db2.gz CDRBERKZRXYEJN-QLFBSQMISA-N 2 0 334.416 1.371 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166264952 539918782 /nfs/dbraw/zinc/91/87/82/539918782.db2.gz AMVDLVUZVPWPLW-DLBZAZTESA-N 2 0 337.489 1.452 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000155555698 539923212 /nfs/dbraw/zinc/92/32/12/539923212.db2.gz FCWJAMHHOXJPSM-CVEARBPZSA-N 2 0 343.479 1.339 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353521344 539934168 /nfs/dbraw/zinc/93/41/68/539934168.db2.gz RFOVPBMDFIQMDK-KSZLIROESA-N 2 0 336.524 1.392 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)C[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000362174213 540004847 /nfs/dbraw/zinc/00/48/47/540004847.db2.gz VFLSAQYXGYYZOA-XSLAGTTESA-N 2 0 327.513 1.120 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000563145519 306320241 /nfs/dbraw/zinc/32/02/41/306320241.db2.gz XUNYIQOQBRZYMG-LZWOXQAQSA-N 2 0 338.496 1.142 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2Cc3cccc(O)c3C2)CC1 ZINC000563207778 306323556 /nfs/dbraw/zinc/32/35/56/306323556.db2.gz BMVPMLLKLBDLGM-MRXNPFEDSA-N 2 0 331.460 1.438 20 0 EDADRP O=C(CCc1c[nH]cn1)N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224216 540075608 /nfs/dbraw/zinc/07/56/08/540075608.db2.gz OMIWVHFJTGBXCD-WMZOPIPTSA-N 2 0 342.443 1.342 20 0 EDADRP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000110065589 540192506 /nfs/dbraw/zinc/19/25/06/540192506.db2.gz PLECOQWJYLYJHZ-IRXDYDNUSA-N 2 0 344.459 1.430 20 0 EDADRP CC(C)(O)[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000245808374 535320243 /nfs/dbraw/zinc/32/02/43/535320243.db2.gz QITOYIIIBJSASE-HOTGVXAUSA-N 2 0 328.497 1.474 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000123629746 138320018 /nfs/dbraw/zinc/32/00/18/138320018.db2.gz TWAHYNSYVXBBMG-UHFFFAOYSA-N 2 0 338.496 1.761 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000130524472 138341932 /nfs/dbraw/zinc/34/19/32/138341932.db2.gz AVTLUCMLNBVDLG-MRXNPFEDSA-N 2 0 347.507 1.570 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000344546876 283220128 /nfs/dbraw/zinc/22/01/28/283220128.db2.gz SCMZRATXYKGBKS-QGZVFWFLSA-N 2 0 342.528 1.717 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364060884 283220236 /nfs/dbraw/zinc/22/02/36/283220236.db2.gz RTHMWVLMORDREW-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000563881184 306351467 /nfs/dbraw/zinc/35/14/67/306351467.db2.gz LIGRSZMJYVBOBI-QAPCUYQASA-N 2 0 348.491 1.529 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000189218969 291136995 /nfs/dbraw/zinc/13/69/95/291136995.db2.gz MFOLKXDGEBIGEO-ZNMIVQPWSA-N 2 0 338.496 1.098 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC)C2)C1 ZINC000413846373 304080501 /nfs/dbraw/zinc/08/05/01/304080501.db2.gz TYZPRZBAXQZSNV-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000564722357 306363645 /nfs/dbraw/zinc/36/36/45/306363645.db2.gz KWTPISDPNJTWAE-FHWLQOOXSA-N 2 0 341.540 1.558 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947675 306370955 /nfs/dbraw/zinc/37/09/55/306370955.db2.gz WNAGDZXLNZDNJA-GPMSIDNRSA-N 2 0 346.475 1.210 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000564949337 306371055 /nfs/dbraw/zinc/37/10/55/306371055.db2.gz GMYXAUBJDCRGAW-OTWHNJEPSA-N 2 0 345.487 1.733 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413987651 304093153 /nfs/dbraw/zinc/09/31/53/304093153.db2.gz YBLCYMLAPWLXAB-AEFFLSMTSA-N 2 0 345.487 1.327 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000414002471 304093599 /nfs/dbraw/zinc/09/35/99/304093599.db2.gz AQDHYFBXYTWLKB-QGZVFWFLSA-N 2 0 330.476 1.409 20 0 EDADRP Cc1ccc2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc(=O)n2c1 ZINC000565422247 306383757 /nfs/dbraw/zinc/38/37/57/306383757.db2.gz SSSZXZWVGHOMOM-APWZRJJASA-N 2 0 342.443 1.331 20 0 EDADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000333288708 283645867 /nfs/dbraw/zinc/64/58/67/283645867.db2.gz OAVJZSXMOCVJDI-HOTGVXAUSA-N 2 0 325.416 1.338 20 0 EDADRP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000073331809 216378308 /nfs/dbraw/zinc/37/83/08/216378308.db2.gz MQUVBWHVZJPCTR-QGZVFWFLSA-N 2 0 344.503 1.798 20 0 EDADRP CCOc1cc(C)nc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414694653 304128364 /nfs/dbraw/zinc/12/83/64/304128364.db2.gz NHQCMMUJJMJGHI-GOEBONIOSA-N 2 0 333.480 1.694 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000414709583 304130723 /nfs/dbraw/zinc/13/07/23/304130723.db2.gz RHGXFRHJLXUGHV-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000414710347 304131323 /nfs/dbraw/zinc/13/13/23/304131323.db2.gz SICHCEKSUTUHSU-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000414720937 304132900 /nfs/dbraw/zinc/13/29/00/304132900.db2.gz DNRRTBOZRRGKBM-CQSZACIVSA-N 2 0 344.459 1.732 20 0 EDADRP CCC[NH2+]CCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000414724065 304133182 /nfs/dbraw/zinc/13/31/82/304133182.db2.gz DMBJIDCCQVHENK-UHFFFAOYSA-N 2 0 333.480 1.868 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000414725715 304133518 /nfs/dbraw/zinc/13/35/18/304133518.db2.gz JCFVAQVGJBAHNH-KRWDZBQOSA-N 2 0 345.491 1.963 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414747041 304136845 /nfs/dbraw/zinc/13/68/45/304136845.db2.gz GQAUWCMUCDMUOQ-CJNGLKHVSA-N 2 0 334.464 1.737 20 0 EDADRP c1cnc(Oc2ccc(C[NH2+]CCCN3CC[NH2+]CC3)cc2)cn1 ZINC000414780986 304140230 /nfs/dbraw/zinc/14/02/30/304140230.db2.gz MHXUSUKYVDFCCN-UHFFFAOYSA-N 2 0 327.432 1.654 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000566733712 306426808 /nfs/dbraw/zinc/42/68/08/306426808.db2.gz HCZQLEVQISAXJH-HLIPFELVSA-N 2 0 349.519 1.350 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414998934 304149787 /nfs/dbraw/zinc/14/97/87/304149787.db2.gz RDHJFNYQLKCKKW-MRXNPFEDSA-N 2 0 332.448 1.320 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415028441 304152142 /nfs/dbraw/zinc/15/21/42/304152142.db2.gz YMWQTKKEPZSWFJ-WKILWMFISA-N 2 0 335.496 1.420 20 0 EDADRP CCNC(=O)COc1ccc(CN[C@@H](C[NH3+])C(C)(C)C)cc1OC ZINC000415054481 304155125 /nfs/dbraw/zinc/15/51/25/304155125.db2.gz MCWSJUGKVDHNLP-INIZCTEOSA-N 2 0 337.464 1.673 20 0 EDADRP COc1cc2c(cc1C[NH2+]C1CCC(N3CC[NH2+]CC3)CC1)OCO2 ZINC000415056214 304155132 /nfs/dbraw/zinc/15/51/32/304155132.db2.gz PNIKLECPAAEWBF-UHFFFAOYSA-N 2 0 347.459 1.730 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000415077651 304158111 /nfs/dbraw/zinc/15/81/11/304158111.db2.gz HQNSVTJEAJXCCQ-DOTOQJQBSA-N 2 0 330.476 1.443 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092644 304159290 /nfs/dbraw/zinc/15/92/90/304159290.db2.gz UBHQZPKDRRRCPA-RTBURBONSA-N 3 0 344.503 1.473 20 0 EDADRP C[C@H](Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000415116787 304161406 /nfs/dbraw/zinc/16/14/06/304161406.db2.gz IERIYWBGZOYXBN-ZOBUZTSGSA-N 2 0 330.476 1.794 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000415136031 304163150 /nfs/dbraw/zinc/16/31/50/304163150.db2.gz WZNWJIBWHJPSTA-HNNXBMFYSA-N 2 0 346.475 1.535 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000195163034 139008242 /nfs/dbraw/zinc/00/82/42/139008242.db2.gz IGKTXVFBJMOJNQ-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000236578554 139026531 /nfs/dbraw/zinc/02/65/31/139026531.db2.gz KWNNRCBFINGZAZ-QZTJIDSGSA-N 2 0 333.476 1.767 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000078647898 217094188 /nfs/dbraw/zinc/09/41/88/217094188.db2.gz NMTSFYHUMOWQAL-MJGOQNOKSA-N 2 0 344.503 1.403 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2cccs2)CC1 ZINC000236653496 139027728 /nfs/dbraw/zinc/02/77/28/139027728.db2.gz MANOGFBMQBNJQP-KFWWJZLASA-N 2 0 337.489 1.360 20 0 EDADRP CC1CCN(c2ccc(CNC(=O)C[NH2+]C[C@H]3CCCO3)cn2)CC1 ZINC000236673192 139028279 /nfs/dbraw/zinc/02/82/79/139028279.db2.gz PEDVCZVWPLPJGG-QGZVFWFLSA-N 2 0 346.475 1.703 20 0 EDADRP Cc1c(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236801594 139031862 /nfs/dbraw/zinc/03/18/62/139031862.db2.gz JNWWSSWQWJATKO-OAHLLOKOSA-N 2 0 348.495 1.219 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@@H](C)C1 ZINC000236863744 139033667 /nfs/dbraw/zinc/03/36/67/139033667.db2.gz ICLLMPJZLVWGHU-XHSDSOJGSA-N 2 0 343.537 1.335 20 0 EDADRP C[NH2+]CCCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000237184916 139043306 /nfs/dbraw/zinc/04/33/06/139043306.db2.gz GUIGVPAABWGGPU-UHFFFAOYSA-N 2 0 346.475 1.128 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415171196 304170247 /nfs/dbraw/zinc/17/02/47/304170247.db2.gz XIQITBLWOHAFGE-XKQJLSEDSA-N 2 0 344.459 1.730 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC[NH+](C)C ZINC000237354593 139048963 /nfs/dbraw/zinc/04/89/63/139048963.db2.gz XKNWNNYAQCIYMH-HOTGVXAUSA-N 2 0 349.475 1.769 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000415191455 304173260 /nfs/dbraw/zinc/17/32/60/304173260.db2.gz VMBZMDULASFBFD-UHFFFAOYSA-N 2 0 330.432 1.041 20 0 EDADRP O=C(CCC1CC[NH2+]CC1)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000237959006 139065073 /nfs/dbraw/zinc/06/50/73/139065073.db2.gz UEZUJVGBZSESII-IBGZPJMESA-N 2 0 345.487 1.783 20 0 EDADRP [NH3+][C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)c1ccccc1 ZINC000237964821 139065240 /nfs/dbraw/zinc/06/52/40/139065240.db2.gz QWZLJYGMIRDJDP-QGZVFWFLSA-N 2 0 331.460 1.838 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000111794363 220191959 /nfs/dbraw/zinc/19/19/59/220191959.db2.gz BBKJBZNBVJZMOE-ROUUACIJSA-N 2 0 348.491 1.699 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000238025078 139066794 /nfs/dbraw/zinc/06/67/94/139066794.db2.gz ZUBZEKYALWLXBB-JWTNVVGKSA-N 2 0 342.487 1.598 20 0 EDADRP [NH3+]C1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000415262756 304181228 /nfs/dbraw/zinc/18/12/28/304181228.db2.gz BUUYKJRWJYJYAD-UHFFFAOYSA-N 2 0 344.459 1.213 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245940887 139090581 /nfs/dbraw/zinc/09/05/81/139090581.db2.gz QZGIRONEBFKKCO-KPFFTGBYSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000246288667 139102502 /nfs/dbraw/zinc/10/25/02/139102502.db2.gz NAYYOOWHTITXFH-WXSAJPJJSA-N 2 0 333.451 1.961 20 0 EDADRP [NH3+]CCCNC(=O)C(=O)Nc1ccc2c(c1)nc1n2CCCCC1 ZINC000415298765 304188541 /nfs/dbraw/zinc/18/85/41/304188541.db2.gz XUGCTSPYTONDTB-UHFFFAOYSA-N 2 0 329.404 1.166 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(C[NH3+])CC1 ZINC000415306769 304190251 /nfs/dbraw/zinc/19/02/51/304190251.db2.gz IIPJZGBONITENN-UHFFFAOYSA-N 2 0 332.448 1.192 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000246915542 139126814 /nfs/dbraw/zinc/12/68/14/139126814.db2.gz GLTXDILLFCBSCW-KGLIPLIRSA-N 2 0 325.478 1.587 20 0 EDADRP CC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000246897823 139126032 /nfs/dbraw/zinc/12/60/32/139126032.db2.gz FRGNJXBCKQCUBP-AHRSYUTCSA-N 2 0 331.504 1.726 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)ccc1C[NH+](C)C ZINC000415351034 304201179 /nfs/dbraw/zinc/20/11/79/304201179.db2.gz NBIMKSUDOBLBRN-GJZGRUSLSA-N 2 0 346.475 1.499 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)CC)[C@H](C)C1 ZINC000247218343 139141019 /nfs/dbraw/zinc/14/10/19/139141019.db2.gz MWHJXNVVIJWZKX-HZPDHXFCSA-N 2 0 328.501 1.374 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]3CCC[C@@H]32)C1 ZINC000247694590 139154180 /nfs/dbraw/zinc/15/41/80/139154180.db2.gz WMRHDELWPDOYEU-KSZLIROESA-N 2 0 337.508 1.724 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000248970115 139182019 /nfs/dbraw/zinc/18/20/19/139182019.db2.gz GMQDMLQGOBFAIQ-SJLPKXTDSA-N 2 0 348.491 1.263 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000568974482 306493537 /nfs/dbraw/zinc/49/35/37/306493537.db2.gz BSGUYQYAARYHTP-CABCVRRESA-N 2 0 338.496 1.412 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3)o2)C1 ZINC000261608823 139210579 /nfs/dbraw/zinc/21/05/79/139210579.db2.gz DGTMGEQKYWHVFW-OAHLLOKOSA-N 2 0 328.416 1.629 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000261694237 139218129 /nfs/dbraw/zinc/21/81/29/139218129.db2.gz NZPWUQXNASTHIP-WBVHZDCISA-N 2 0 328.460 1.980 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[NH+]2CCCC2)o1 ZINC000261897487 139234998 /nfs/dbraw/zinc/23/49/98/139234998.db2.gz ABUHXNSXDBIHGT-OAHLLOKOSA-N 2 0 335.448 1.597 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])c1ccc(Br)cc1 ZINC000261958580 139240153 /nfs/dbraw/zinc/24/01/53/139240153.db2.gz JMUOYAWOEJYRPG-WDBKCZKBSA-N 2 0 340.265 1.867 20 0 EDADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262042514 139246110 /nfs/dbraw/zinc/24/61/10/139246110.db2.gz HRUIPNSIQWDRMX-INIZCTEOSA-N 2 0 346.475 1.548 20 0 EDADRP CCOCc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262116205 139252185 /nfs/dbraw/zinc/25/21/85/139252185.db2.gz LFRKBYDFNMTBJE-GOSISDBHSA-N 2 0 333.476 1.711 20 0 EDADRP c1nn(Cc2ccccc2)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262136857 139254055 /nfs/dbraw/zinc/25/40/55/139254055.db2.gz OWEJLFWPVAMTOU-IBGZPJMESA-N 2 0 325.460 1.411 20 0 EDADRP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262168709 139256892 /nfs/dbraw/zinc/25/68/92/139256892.db2.gz UVSIRTHFXRTFMT-WDMOLILDSA-N 2 0 341.839 1.236 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCC1 ZINC000415560411 251013019 /nfs/dbraw/zinc/01/30/19/251013019.db2.gz MRVDVKALQXNLHW-UHFFFAOYSA-N 2 0 344.459 1.261 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000415572089 304228361 /nfs/dbraw/zinc/22/83/61/304228361.db2.gz MXNPQLHWMMDJPL-GOEBONIOSA-N 2 0 346.475 1.663 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417016774 251134798 /nfs/dbraw/zinc/13/47/98/251134798.db2.gz IRNZDEMQRKQVNS-KRWDZBQOSA-N 2 0 347.507 1.353 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000416996694 251122636 /nfs/dbraw/zinc/12/26/36/251122636.db2.gz UUYCULNXNVJCKE-HUUCEWRRSA-N 2 0 336.480 1.942 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417001690 251126552 /nfs/dbraw/zinc/12/65/52/251126552.db2.gz FDOCOHXWSRAYDR-WMZOPIPTSA-N 2 0 328.460 1.296 20 0 EDADRP CC[C@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417005912 251126872 /nfs/dbraw/zinc/12/68/72/251126872.db2.gz FBFRYRFATFLEEE-CEXWTWQISA-N 2 0 342.487 1.684 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000417413999 251165180 /nfs/dbraw/zinc/16/51/80/251165180.db2.gz CHKVPKMCEAFVEU-LSDHHAIUSA-N 2 0 336.436 1.013 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262364626 139273490 /nfs/dbraw/zinc/27/34/90/139273490.db2.gz KVAIEMDQKVSTNJ-DNVCBOLYSA-N 2 0 345.487 1.404 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000417595212 251201591 /nfs/dbraw/zinc/20/15/91/251201591.db2.gz XRAORLDUTDTDKU-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417597958 251202624 /nfs/dbraw/zinc/20/26/24/251202624.db2.gz WFVOINCJHGMBSH-MRXNPFEDSA-N 2 0 348.491 1.816 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262439667 139279108 /nfs/dbraw/zinc/27/91/08/139279108.db2.gz CPBUJBVHPXEVNJ-ZWKOTPCHSA-N 2 0 331.460 1.258 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH3+])CC2)[C@H](C)C1 ZINC000417669077 251221807 /nfs/dbraw/zinc/22/18/07/251221807.db2.gz KTMJVKWYNYUKHE-WBVHZDCISA-N 2 0 340.512 1.504 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2(C)CC[NH2+]CC2)[C@@H](C)C1 ZINC000417672275 251222688 /nfs/dbraw/zinc/22/26/88/251222688.db2.gz SFJBGXJCXXEKLV-HOTGVXAUSA-N 2 0 340.512 1.565 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417713967 251239174 /nfs/dbraw/zinc/23/91/74/251239174.db2.gz RMTQYFHHNKIPSB-INIZCTEOSA-N 2 0 326.485 1.320 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000417744986 251252730 /nfs/dbraw/zinc/25/27/30/251252730.db2.gz DUBOKHOYYVMHQG-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417829550 251288439 /nfs/dbraw/zinc/28/84/39/251288439.db2.gz AGCKKBVYNUHPIM-OAHLLOKOSA-N 2 0 326.485 1.163 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417801175 251274947 /nfs/dbraw/zinc/27/49/47/251274947.db2.gz CKXZTPXFCVUULK-UHFFFAOYSA-N 2 0 326.485 1.317 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417992546 251318624 /nfs/dbraw/zinc/31/86/24/251318624.db2.gz WPUINTXULXFZOK-QGZVFWFLSA-N 2 0 347.507 1.101 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2(C)CC[NH2+]CC2)CCCO1 ZINC000418123439 251334404 /nfs/dbraw/zinc/33/44/04/251334404.db2.gz YWVTZZZYLAYOOH-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417844024 251296328 /nfs/dbraw/zinc/29/63/28/251296328.db2.gz HHLOIMJWSSZINT-OAHLLOKOSA-N 2 0 334.468 1.011 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000417850209 251297403 /nfs/dbraw/zinc/29/74/03/251297403.db2.gz MGVXAWCADZXDLY-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000418427580 251369032 /nfs/dbraw/zinc/36/90/32/251369032.db2.gz OHKGNAKJBXIPES-JKSUJKDBSA-N 2 0 328.501 1.502 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@H]1[NH3+] ZINC000418162668 251350522 /nfs/dbraw/zinc/35/05/22/251350522.db2.gz GMEGWYKFSUXYAV-RDTXWAMCSA-N 2 0 346.475 1.648 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418195398 251352544 /nfs/dbraw/zinc/35/25/44/251352544.db2.gz FWHCAFJUJGKDBE-IMJJTQAJSA-N 2 0 326.485 1.253 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418345793 251361539 /nfs/dbraw/zinc/36/15/39/251361539.db2.gz SZOFHOULVYIKRX-WMZOPIPTSA-N 2 0 345.491 1.830 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000418405905 251364877 /nfs/dbraw/zinc/36/48/77/251364877.db2.gz LIQMETUFJWKRPJ-GOSISDBHSA-N 2 0 347.507 1.713 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418708501 251392010 /nfs/dbraw/zinc/39/20/10/251392010.db2.gz CJSMBGVEMODJFA-SJORKVTESA-N 3 0 341.544 1.419 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418753943 251412597 /nfs/dbraw/zinc/41/25/97/251412597.db2.gz HRVCCMKRNLMBPH-ZDUSSCGKSA-N 2 0 330.379 1.350 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418688751 251386310 /nfs/dbraw/zinc/38/63/10/251386310.db2.gz FHFRGNXFDXUYKH-QFBILLFUSA-N 2 0 348.491 1.440 20 0 EDADRP C[C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262564146 139286843 /nfs/dbraw/zinc/28/68/43/139286843.db2.gz BKNNSJWKVHNFNX-HOTGVXAUSA-N 2 0 348.466 1.452 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262658709 139293801 /nfs/dbraw/zinc/29/38/01/139293801.db2.gz WAWSENTVISFAGZ-IAGOWNOFSA-N 2 0 330.476 1.890 20 0 EDADRP C[NH2+]CCCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262648909 139292948 /nfs/dbraw/zinc/29/29/48/139292948.db2.gz PVWVUFPYTMQRER-HNNXBMFYSA-N 2 0 332.448 1.322 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000262669017 139294898 /nfs/dbraw/zinc/29/48/98/139294898.db2.gz QSWYEIGAJFACDU-MAUKXSAKSA-N 2 0 332.448 1.592 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000262699884 139297304 /nfs/dbraw/zinc/29/73/04/139297304.db2.gz HGQKZAAYDXHJDF-FQEVSTJZSA-N 2 0 346.519 1.958 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000262738572 139300100 /nfs/dbraw/zinc/30/01/00/139300100.db2.gz DAZWVHCCMAZXOR-TZMCWYRMSA-N 2 0 342.447 1.895 20 0 EDADRP CCS(=O)(=O)N(C)CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422864572 252003799 /nfs/dbraw/zinc/00/37/99/252003799.db2.gz VLPVEYBEZVZZHT-OWCLPIDISA-N 2 0 331.526 1.558 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423067852 252033997 /nfs/dbraw/zinc/03/39/97/252033997.db2.gz AHUUSTLZZSYRJE-ZFWWWQNUSA-N 2 0 331.526 1.699 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000423352678 252050894 /nfs/dbraw/zinc/05/08/94/252050894.db2.gz AFMXVCUGTMAWSH-UHFFFAOYSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423413973 252053760 /nfs/dbraw/zinc/05/37/60/252053760.db2.gz BJOKJNXSSICYCK-ILXRZTDVSA-N 2 0 331.464 1.196 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423670188 252065793 /nfs/dbraw/zinc/06/57/93/252065793.db2.gz LXTXZAFTOGZMOS-QZTJIDSGSA-N 2 0 331.460 1.491 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H]1COc2ccccc21 ZINC000423869217 252099296 /nfs/dbraw/zinc/09/92/96/252099296.db2.gz BYZUKJBZDZXXQS-YOEHRIQHSA-N 2 0 331.460 1.871 20 0 EDADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000424021512 252115765 /nfs/dbraw/zinc/11/57/65/252115765.db2.gz RAZGQDKIHIELIZ-UHFFFAOYSA-N 2 0 341.459 1.452 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423791814 252075464 /nfs/dbraw/zinc/07/54/64/252075464.db2.gz HLONZNZWQRTUHD-QGZVFWFLSA-N 2 0 325.497 1.855 20 0 EDADRP CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000424154772 252147884 /nfs/dbraw/zinc/14/78/84/252147884.db2.gz LXLRPAWBRGQDSF-UKRRQHHQSA-N 2 0 331.464 1.196 20 0 EDADRP C[C@@H](C(=O)NC1CC1)N1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424305009 252194126 /nfs/dbraw/zinc/19/41/26/252194126.db2.gz RQTORMKDBNIEDL-HOCLYGCPSA-N 2 0 348.466 1.153 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)c1 ZINC000424435836 252230041 /nfs/dbraw/zinc/23/00/41/252230041.db2.gz GRPIEOHMEGZNAO-UHFFFAOYSA-N 2 0 332.448 1.384 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000424438311 252230886 /nfs/dbraw/zinc/23/08/86/252230886.db2.gz KMVVJIZJPHKFAQ-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000424470711 252242553 /nfs/dbraw/zinc/24/25/53/252242553.db2.gz SEEVTUIGPORQAF-LJQANCHMSA-N 2 0 344.459 1.337 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000424475010 252244708 /nfs/dbraw/zinc/24/47/08/252244708.db2.gz YIEYZUPQLXNHBU-SJPCQFCGSA-N 2 0 344.459 1.476 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000424473882 252245208 /nfs/dbraw/zinc/24/52/08/252245208.db2.gz WWDJORFSPJXTDV-UHFFFAOYSA-N 2 0 346.475 1.775 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651422 285058405 /nfs/dbraw/zinc/05/84/05/285058405.db2.gz KIWXGJPTGMWICF-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415651582 304247988 /nfs/dbraw/zinc/24/79/88/304247988.db2.gz GSFKFNFUEFEEFH-WMLDXEAASA-N 2 0 346.475 1.581 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000333862105 296362114 /nfs/dbraw/zinc/36/21/14/296362114.db2.gz QDJCZFUOHABYNF-CABCVRRESA-N 2 0 334.464 1.315 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)C[C@@H]12 ZINC000570055063 306529084 /nfs/dbraw/zinc/52/90/84/306529084.db2.gz JMPVUHBTXLUCEA-WSOGKROESA-N 2 0 333.863 1.839 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418382576 285244310 /nfs/dbraw/zinc/24/43/10/285244310.db2.gz MJNJONSQVNFTEG-HZPDHXFCSA-N 3 0 327.517 1.027 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H](C)COC ZINC000360157692 285245970 /nfs/dbraw/zinc/24/59/70/285245970.db2.gz VUBCHIOWSZNABM-IXDOHACOSA-N 2 0 327.513 1.780 20 0 EDADRP C[C@@H](CNC(=O)/C=C\C[NH+](C)C)[NH+]1CCN(c2ccccc2)CC1 ZINC000491848204 255152309 /nfs/dbraw/zinc/15/23/09/255152309.db2.gz SQAOKVHLSXZBDZ-JEZWAEDTSA-N 2 0 330.476 1.431 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000492262724 255166247 /nfs/dbraw/zinc/16/62/47/255166247.db2.gz QHYHNLHLBKDZJS-SOFGYWHQSA-N 2 0 325.497 1.701 20 0 EDADRP C[C@H](C[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494472703 255251963 /nfs/dbraw/zinc/25/19/63/255251963.db2.gz STZAYPUCDFUTSY-OAGGEKHMSA-N 2 0 342.528 1.904 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581025 285276616 /nfs/dbraw/zinc/27/66/16/285276616.db2.gz NUAYREZRRGJAIE-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118127373 221127114 /nfs/dbraw/zinc/12/71/14/221127114.db2.gz DSDGHRJHKYAJKA-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000118094112 221114285 /nfs/dbraw/zinc/11/42/85/221114285.db2.gz HNRHSXIXXQLBTF-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000570698579 306549176 /nfs/dbraw/zinc/54/91/76/306549176.db2.gz SYSHNDBXQKXPDP-GOSISDBHSA-N 2 0 331.460 1.775 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000415850295 304281743 /nfs/dbraw/zinc/28/17/43/304281743.db2.gz WYIMYFJNGVLZGW-XJKSGUPXSA-N 2 0 332.448 1.273 20 0 EDADRP COC(=O)[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+](C)C1 ZINC000416242713 304299944 /nfs/dbraw/zinc/29/99/44/304299944.db2.gz ADASPESLZWHWSN-DLBZAZTESA-N 2 0 347.459 1.243 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1[NH+](C)C ZINC000268321422 139761353 /nfs/dbraw/zinc/76/13/53/139761353.db2.gz BZLLGNCJIIXRJL-CRAIPNDOSA-N 2 0 345.491 1.638 20 0 EDADRP C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC[NH2+]C1 ZINC000269437940 139933577 /nfs/dbraw/zinc/93/35/77/139933577.db2.gz PTBCMNAWRIQGIT-FQEVSTJZSA-N 2 0 345.487 1.649 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000270636531 140138783 /nfs/dbraw/zinc/13/87/83/140138783.db2.gz HAJNCKKQGVCIGU-AWEZNQCLSA-N 2 0 337.468 1.161 20 0 EDADRP CC[C@@H](C)[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000271081720 140232703 /nfs/dbraw/zinc/23/27/03/140232703.db2.gz RCYXMXSULFJHTD-WBVHZDCISA-N 2 0 334.464 1.117 20 0 EDADRP [NH3+][C@@H](CCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1 ZINC000571865068 306576076 /nfs/dbraw/zinc/57/60/76/306576076.db2.gz UQRIFVSLOXGODY-KRWDZBQOSA-N 2 0 339.443 1.910 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCN(C(=O)OC)CC2)CC[NH2+]CC1 ZINC000497204999 285664668 /nfs/dbraw/zinc/66/46/68/285664668.db2.gz SZLCXMOJJHOOLO-ZDUSSCGKSA-N 2 0 341.452 1.128 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000333186681 141277765 /nfs/dbraw/zinc/27/77/65/141277765.db2.gz NANKVQSVCSIJCW-WZYMTQMTSA-N 2 0 338.496 1.098 20 0 EDADRP CCOC(=O)C1CCC([NH2+][C@H](C)CCN2CC[NH+](C)CC2)CC1 ZINC000186595893 285677544 /nfs/dbraw/zinc/67/75/44/285677544.db2.gz MZMCZIUPCNRMIN-KLAILNCOSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000333456977 141320175 /nfs/dbraw/zinc/32/01/75/141320175.db2.gz YLKOUNQOQNDMTP-INIZCTEOSA-N 2 0 338.496 1.402 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000333496673 141326824 /nfs/dbraw/zinc/32/68/24/141326824.db2.gz CWDNJNRZKYRNIO-WBVHZDCISA-N 2 0 344.459 1.033 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CCCCCC1 ZINC000333920100 141410407 /nfs/dbraw/zinc/41/04/07/141410407.db2.gz PRFNZJDHZSCCQO-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000339520770 142064899 /nfs/dbraw/zinc/06/48/99/142064899.db2.gz DJTPAYKXGGLZAN-GOSISDBHSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCCCO1 ZINC000339969901 142216088 /nfs/dbraw/zinc/21/60/88/142216088.db2.gz YZRDWMLTLNZGKH-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000344882638 143023286 /nfs/dbraw/zinc/02/32/86/143023286.db2.gz ACKWGIYBYGZEDN-IAGOWNOFSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCOC[C@H]1C ZINC000345719273 143125350 /nfs/dbraw/zinc/12/53/50/143125350.db2.gz BPPFYDWUUVYVLU-BRWVUGGUSA-N 2 0 325.497 1.534 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000346064175 143163565 /nfs/dbraw/zinc/16/35/65/143163565.db2.gz IBKHPUHCFJTRBS-KRWDZBQOSA-N 2 0 331.508 1.272 20 0 EDADRP CC[C@@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000346227920 143181150 /nfs/dbraw/zinc/18/11/50/143181150.db2.gz YQWIYPRNILXRIL-CRAIPNDOSA-N 2 0 343.475 1.853 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000346364786 143196990 /nfs/dbraw/zinc/19/69/90/143196990.db2.gz GEUOSYFTESVHFO-MWDXBVQZSA-N 2 0 325.497 1.722 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cn1C ZINC000346643503 143225457 /nfs/dbraw/zinc/22/54/57/143225457.db2.gz JZAQXTBOGCUSLF-HUUCEWRRSA-N 2 0 337.464 1.791 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1)[C@@H]1CCC[NH2+]1 ZINC000346674770 143230092 /nfs/dbraw/zinc/23/00/92/143230092.db2.gz IZYJJMHESKGMKO-WBVHZDCISA-N 2 0 341.459 1.643 20 0 EDADRP C[C@@H]1C[C@@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000346695516 143232914 /nfs/dbraw/zinc/23/29/14/143232914.db2.gz CTIRJWRSGPAIDO-POAQFYNOSA-N 2 0 329.488 1.838 20 0 EDADRP COC(=O)c1ccc(N2CC[N@H+](CC3CC[NH2+]CC3)[C@H](C)C2)cc1 ZINC000346853962 143251958 /nfs/dbraw/zinc/25/19/58/143251958.db2.gz YIKHFRUCCHODPT-OAHLLOKOSA-N 2 0 331.460 1.983 20 0 EDADRP OC[C@H]1CC[C@@H](CO)[N@@H+]1CCCN1CCN(c2ccccc2)CC1 ZINC000347276899 143302928 /nfs/dbraw/zinc/30/29/28/143302928.db2.gz OHUAYVZLZNLGQP-KDURUIRLSA-N 2 0 333.476 1.016 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC000347486032 143327437 /nfs/dbraw/zinc/32/74/37/143327437.db2.gz QYNFXTAFKXPLSL-RBUKOAKNSA-N 2 0 339.524 1.672 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000347686105 143349505 /nfs/dbraw/zinc/34/95/05/143349505.db2.gz NVCSOAVVRNLVIF-QGZVFWFLSA-N 2 0 325.497 1.583 20 0 EDADRP CCOC(=O)COCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347755754 143358559 /nfs/dbraw/zinc/35/85/59/143358559.db2.gz XRMBFAWFBCWYRY-IYBDPMFKSA-N 2 0 342.480 1.387 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)N2CCC[C@@H]2C)C1 ZINC000350180075 143533390 /nfs/dbraw/zinc/53/33/90/143533390.db2.gz CYAKIKNUTMGLSL-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000416843202 304351057 /nfs/dbraw/zinc/35/10/57/304351057.db2.gz OHLDJAFIXYJHRI-QZTJIDSGSA-N 2 0 348.491 1.611 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000377525924 286058525 /nfs/dbraw/zinc/05/85/25/286058525.db2.gz SXKGCMVBCNKTMU-YLFCFFPRSA-N 2 0 325.497 1.628 20 0 EDADRP CO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000352594308 149079973 /nfs/dbraw/zinc/07/99/73/149079973.db2.gz FIZIZIFRQONOGP-QGZVFWFLSA-N 2 0 334.464 1.381 20 0 EDADRP C[C@H]1C[N@H+](C)[C@@H](C)CN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000352780201 149162092 /nfs/dbraw/zinc/16/20/92/149162092.db2.gz OEAAOEZPNQNRQR-ROUUACIJSA-N 2 0 344.503 1.750 20 0 EDADRP CCCn1c(C)nnc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369910949 155228373 /nfs/dbraw/zinc/22/83/73/155228373.db2.gz WLAKQHRMOSYIPH-HNNXBMFYSA-N 2 0 334.512 1.597 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000353384813 149387556 /nfs/dbraw/zinc/38/75/56/149387556.db2.gz LEXBQUWNFSYMIT-QGZVFWFLSA-N 2 0 344.463 1.138 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)CC(C)C ZINC000416961101 304355743 /nfs/dbraw/zinc/35/57/43/304355743.db2.gz RQVLZEXSOZHEBX-HOTGVXAUSA-N 2 0 328.501 1.421 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000416972875 304358018 /nfs/dbraw/zinc/35/80/18/304358018.db2.gz IVUKOHUHMQLRSC-QGZVFWFLSA-N 2 0 339.528 1.219 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)NCCC[NH3+])cc2)C[C@H](C)O1 ZINC000416972684 304358106 /nfs/dbraw/zinc/35/81/06/304358106.db2.gz SKFCREQUCDULSE-GJZGRUSLSA-N 2 0 334.464 1.444 20 0 EDADRP CC[N@H+](CCC1CC1)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000355033394 150084066 /nfs/dbraw/zinc/08/40/66/150084066.db2.gz DNVBSTPAWZQAAP-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000355064748 150099296 /nfs/dbraw/zinc/09/92/96/150099296.db2.gz SRDFBERSUQYZDE-QAPCUYQASA-N 2 0 348.491 1.393 20 0 EDADRP CC1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[NH2+]CC1 ZINC000416986356 304361766 /nfs/dbraw/zinc/36/17/66/304361766.db2.gz ZEHXDZGKQJABEL-UHFFFAOYSA-N 2 0 345.491 1.735 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)C[C@H](C)O1 ZINC000355484232 150286843 /nfs/dbraw/zinc/28/68/43/150286843.db2.gz VGGYZLWXIZXILN-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355510576 150298566 /nfs/dbraw/zinc/29/85/66/150298566.db2.gz QJKLVFUCBOVWKJ-AEFFLSMTSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1=CC[N@H+](C)CC1 ZINC000370000227 155274458 /nfs/dbraw/zinc/27/44/58/155274458.db2.gz XBYKTNLINLCYMZ-OAHLLOKOSA-N 2 0 336.480 1.143 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417049534 304366980 /nfs/dbraw/zinc/36/69/80/304366980.db2.gz GWRXBUPGRSAJDY-QGZVFWFLSA-N 2 0 347.507 1.414 20 0 EDADRP COc1ccccc1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000357655512 151104317 /nfs/dbraw/zinc/10/43/17/151104317.db2.gz ZQZDUYYLXLJFNI-HNNXBMFYSA-N 2 0 349.475 1.658 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000357709925 151121919 /nfs/dbraw/zinc/12/19/19/151121919.db2.gz RZFRSZFJRVLQRK-MSOLQXFVSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000357820597 151161947 /nfs/dbraw/zinc/16/19/47/151161947.db2.gz TZKVUQTYCHWLNV-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417076211 304370349 /nfs/dbraw/zinc/37/03/49/304370349.db2.gz JZKSNPJIDXLPLU-XWTMOSNGSA-N 2 0 328.460 1.668 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000358197108 151301918 /nfs/dbraw/zinc/30/19/18/151301918.db2.gz VMOJUDUTDPXKQK-UHFFFAOYSA-N 2 0 336.480 1.145 20 0 EDADRP CSC1(CNC(=O)N(C)CC2([NH+](C)C)CCC2)CC[NH+](C)CC1 ZINC000358288657 151327200 /nfs/dbraw/zinc/32/72/00/151327200.db2.gz NXYDNVDYMVDPIW-UHFFFAOYSA-N 2 0 342.553 1.940 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000358447176 151379319 /nfs/dbraw/zinc/37/93/19/151379319.db2.gz ZARDVRFQLWJRHE-JYJNAYRXSA-N 2 0 328.501 1.467 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417091390 304371647 /nfs/dbraw/zinc/37/16/47/304371647.db2.gz JSWYTQJSDSZFCW-QGZVFWFLSA-N 2 0 334.464 1.141 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000417115015 304373896 /nfs/dbraw/zinc/37/38/96/304373896.db2.gz OOCKIGQJSQPXHX-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417122807 304375022 /nfs/dbraw/zinc/37/50/22/304375022.db2.gz YEHCLEOKQBXSTA-AWEZNQCLSA-N 2 0 328.526 1.503 20 0 EDADRP C[NH+](C)[C@H]1CCN(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000360571877 152102501 /nfs/dbraw/zinc/10/25/01/152102501.db2.gz RLHQCAKIILQMTQ-SFHVURJKSA-N 2 0 345.491 1.434 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1(C)C ZINC000249062303 286306605 /nfs/dbraw/zinc/30/66/05/286306605.db2.gz HAZNIPRLEOLTEA-HDMKZQKVSA-N 2 0 325.497 1.756 20 0 EDADRP CC(C)C[C@@H]([NH2+]Cc1cn(C)nc1C(F)F)C(=O)NCC[NH+](C)C ZINC000360956242 152262980 /nfs/dbraw/zinc/26/29/80/152262980.db2.gz UHIUQBGFQQIALR-CYBMUJFWSA-N 2 0 345.438 1.540 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081766 152297851 /nfs/dbraw/zinc/29/78/51/152297851.db2.gz SHACAYLRLYYSQG-IAGOWNOFSA-N 2 0 335.492 1.526 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361093448 152299999 /nfs/dbraw/zinc/29/99/99/152299999.db2.gz ABGLCXFIDWYPGR-JZXOWHBKSA-N 2 0 326.444 1.542 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000361164614 152323725 /nfs/dbraw/zinc/32/37/25/152323725.db2.gz RKEADWZAODFQFJ-ZWKOTPCHSA-N 2 0 341.540 1.824 20 0 EDADRP COCC1(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC1 ZINC000361298809 152357278 /nfs/dbraw/zinc/35/72/78/152357278.db2.gz ZDSOFAFPPCUNPA-SFHVURJKSA-N 2 0 339.524 1.530 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH+]2CCCC2)CC1 ZINC000363569929 153003642 /nfs/dbraw/zinc/00/36/42/153003642.db2.gz SVGOQTNFIYWCQT-IRXDYDNUSA-N 2 0 336.480 1.119 20 0 EDADRP Cc1nc2n(c1CN1CC[NH+]([C@@H]3CCCC[C@@H]3O)CC1)CCCC2 ZINC000363774960 153052834 /nfs/dbraw/zinc/05/28/34/153052834.db2.gz GBFVOBDSCBGECB-AEFFLSMTSA-N 2 0 332.492 1.949 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000417194906 304383050 /nfs/dbraw/zinc/38/30/50/304383050.db2.gz NKEMMUVPICYDMP-VJANTYMQSA-N 2 0 344.503 1.928 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCCN(Cc2cnn(C(C)C)c2)CC1 ZINC000364430297 153234636 /nfs/dbraw/zinc/23/46/36/153234636.db2.gz YDIJIEAGEORIDB-UHFFFAOYSA-N 2 0 335.496 1.840 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCCCC[NH2+]1 ZINC000364471344 153247930 /nfs/dbraw/zinc/24/79/30/153247930.db2.gz ZCTNPSBBCUSGKP-IBGZPJMESA-N 2 0 345.487 1.792 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000417195657 304383604 /nfs/dbraw/zinc/38/36/04/304383604.db2.gz ODMJDDSMFYCFFW-UYAOXDASSA-N 2 0 344.503 1.944 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000364724055 153314134 /nfs/dbraw/zinc/31/41/34/153314134.db2.gz MTMDBUYVSHCVJQ-YYAJDYIMSA-N 2 0 337.508 1.900 20 0 EDADRP COC1(C(=O)N2CCC(C[NH+]3CCC(C)CC3)CC2)CC[NH2+]CC1 ZINC000366332797 153785715 /nfs/dbraw/zinc/78/57/15/153785715.db2.gz KRKVDFJOTPVEMR-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnnn1Cc1ccccc1 ZINC000574509051 306651980 /nfs/dbraw/zinc/65/19/80/306651980.db2.gz CDTNKZRVYRZHPA-UHFFFAOYSA-N 2 0 330.480 1.252 20 0 EDADRP CN(C(=O)NCC(C)(C)N1CCOCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367898918 154317820 /nfs/dbraw/zinc/31/78/20/154317820.db2.gz FWOKLDSVNVPMRY-XYPWUTKMSA-N 2 0 338.496 1.364 20 0 EDADRP CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC1 ZINC000369421643 155024967 /nfs/dbraw/zinc/02/49/67/155024967.db2.gz CEAXXRMBWHXVIF-RDJZCZTQSA-N 2 0 348.495 1.150 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369532049 155074353 /nfs/dbraw/zinc/07/43/53/155074353.db2.gz QFRYRAUIOSHKNK-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CCN(C2CCC2)CC1 ZINC000369599126 155104491 /nfs/dbraw/zinc/10/44/91/155104491.db2.gz GZZJXAVRRQPVKW-IBGZPJMESA-N 2 0 343.471 1.584 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1)c1ccccc1 ZINC000369654946 155121896 /nfs/dbraw/zinc/12/18/96/155121896.db2.gz NDFAFSMYGDZXIR-RCCFBDPRSA-N 2 0 331.460 1.516 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000417478770 304398980 /nfs/dbraw/zinc/39/89/80/304398980.db2.gz JDMOAHOHOAVKNT-WMZOPIPTSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371968662 156189625 /nfs/dbraw/zinc/18/96/25/156189625.db2.gz ZYURJAOIIDBPLQ-CRAIPNDOSA-N 2 0 334.508 1.987 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC12CCOCC2 ZINC000575179749 306666517 /nfs/dbraw/zinc/66/65/17/306666517.db2.gz MSJBHRVIBXISPH-NVXWUHKLSA-N 2 0 329.444 1.087 20 0 EDADRP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccccc2F)CC1)C1CCOCC1 ZINC000374521103 157316795 /nfs/dbraw/zinc/31/67/95/157316795.db2.gz NDYKUJSVJPVICU-SFHVURJKSA-N 2 0 349.450 1.660 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@]2(N(C)C)CCOc3ccccc32)C1 ZINC000378189648 158104463 /nfs/dbraw/zinc/10/44/63/158104463.db2.gz YTQGOEWRLQCDSE-QMTMVMCOSA-N 2 0 331.460 1.812 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000378207482 158109848 /nfs/dbraw/zinc/10/98/48/158109848.db2.gz RURUNPBKTKYUNW-FGTMMUONSA-N 2 0 330.476 1.219 20 0 EDADRP Cc1cnn(C)c1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352242877 162068601 /nfs/dbraw/zinc/06/86/01/162068601.db2.gz SSKNIJUDIPHKDT-UHFFFAOYSA-N 2 0 327.476 1.636 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000352327365 162120001 /nfs/dbraw/zinc/12/00/01/162120001.db2.gz YJJFBEUUADBCPP-KRWDZBQOSA-N 2 0 341.521 1.421 20 0 EDADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418056180 304452139 /nfs/dbraw/zinc/45/21/39/304452139.db2.gz JMSYVRWCMZFWBC-MAUKXSAKSA-N 2 0 332.492 1.978 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C[NH3+])C1 ZINC000418064625 304453574 /nfs/dbraw/zinc/45/35/74/304453574.db2.gz JYOWZPUJUZETAC-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663553235 452260846 /nfs/dbraw/zinc/26/08/46/452260846.db2.gz MSACVLPGNZIEFK-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@H+](C)C(C)C)cn2)CC1 ZINC000063467421 287238341 /nfs/dbraw/zinc/23/83/41/287238341.db2.gz VHGLKBPRIMCEQY-UHFFFAOYSA-N 2 0 333.480 1.180 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000332035976 287343166 /nfs/dbraw/zinc/34/31/66/287343166.db2.gz ULOUJDWFSJEPQI-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H](CCn1cccn1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000158651932 225060504 /nfs/dbraw/zinc/06/05/04/225060504.db2.gz RNHLAQGVLMCIGD-MRXNPFEDSA-N 2 0 328.464 1.598 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418326104 304480359 /nfs/dbraw/zinc/48/03/59/304480359.db2.gz XMWSHEWZNPCVJF-OAHLLOKOSA-N 2 0 340.512 1.382 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000418329640 304481121 /nfs/dbraw/zinc/48/11/21/304481121.db2.gz OUXHLUWRNURHHO-ROUUACIJSA-N 2 0 345.491 1.592 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121840737 287375057 /nfs/dbraw/zinc/37/50/57/287375057.db2.gz HATZFUYXUNXFJI-OAHLLOKOSA-N 2 0 338.496 1.809 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000418338869 304482834 /nfs/dbraw/zinc/48/28/34/304482834.db2.gz DNAIGCOMUGRVAR-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000123458045 222281213 /nfs/dbraw/zinc/28/12/13/222281213.db2.gz OJSZLVPATLMENY-UHFFFAOYSA-N 2 0 326.485 1.082 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123468536 222281827 /nfs/dbraw/zinc/28/18/27/222281827.db2.gz AVOJLCNAVXPMOI-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418437879 304495355 /nfs/dbraw/zinc/49/53/55/304495355.db2.gz LJEVDSSYHFBKJA-CABCVRRESA-N 2 0 326.485 1.432 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000418432236 304495106 /nfs/dbraw/zinc/49/51/06/304495106.db2.gz YYMJQPCWKZXONJ-GJZGRUSLSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000193524845 272995197 /nfs/dbraw/zinc/99/51/97/272995197.db2.gz TUUZHHIWHRZULN-PKOBYXMFSA-N 2 0 344.503 1.846 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000237097777 273007657 /nfs/dbraw/zinc/00/76/57/273007657.db2.gz PXIJPUFJVVDMKM-GOSISDBHSA-N 2 0 332.448 1.905 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2(C[NH3+])CCCC2)CC1 ZINC000237431401 273010117 /nfs/dbraw/zinc/01/01/17/273010117.db2.gz QNCDJVQJORHJEG-IAGOWNOFSA-N 2 0 336.524 1.523 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000165040472 267518700 /nfs/dbraw/zinc/51/87/00/267518700.db2.gz QKHYAFCYYKTOJY-MSOLQXFVSA-N 2 0 331.460 1.708 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000274672216 268180851 /nfs/dbraw/zinc/18/08/51/268180851.db2.gz PJDSJYCBUQFJNN-INIZCTEOSA-N 2 0 336.480 1.120 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000276116934 273149783 /nfs/dbraw/zinc/14/97/83/273149783.db2.gz FPEACYQVXGUCNV-UHFFFAOYSA-N 2 0 348.491 1.047 20 0 EDADRP CCC(CC)(CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000277600867 273209899 /nfs/dbraw/zinc/20/98/99/273209899.db2.gz PUYJEVNFWHRPRU-HYVNUMGLSA-N 2 0 333.476 1.735 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000280790281 273398764 /nfs/dbraw/zinc/39/87/64/273398764.db2.gz JLHRKIOAHJDDLM-BEFAXECRSA-N 2 0 328.460 1.552 20 0 EDADRP Cc1ccccc1-n1nccc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000280804914 273400654 /nfs/dbraw/zinc/40/06/54/273400654.db2.gz HPEMORRZLNHDHG-KRWDZBQOSA-N 2 0 327.476 1.906 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563297 273814504 /nfs/dbraw/zinc/81/45/04/273814504.db2.gz XVQWSTTXDAYPNR-HOTGVXAUSA-N 2 0 341.459 1.389 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000284944536 274397284 /nfs/dbraw/zinc/39/72/84/274397284.db2.gz VQTMXFMAAQQBQK-IEBWSBKVSA-N 2 0 347.503 1.839 20 0 EDADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000659843513 452730853 /nfs/dbraw/zinc/73/08/53/452730853.db2.gz APNFTEHRZZWGKA-UHFFFAOYSA-N 2 0 325.478 1.368 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414903032 276119962 /nfs/dbraw/zinc/11/99/62/276119962.db2.gz KXASQCBLHBMZFE-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)C[NH3+])cc1OC ZINC000285860736 287875081 /nfs/dbraw/zinc/87/50/81/287875081.db2.gz YUOUBYMDCIOHQO-CQSZACIVSA-N 2 0 337.464 1.627 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2cncc2C1 ZINC000343340170 276377650 /nfs/dbraw/zinc/37/76/50/276377650.db2.gz MWCXZUBXMKEOHN-SJORKVTESA-N 2 0 347.507 1.320 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@H]1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000343374999 276754724 /nfs/dbraw/zinc/75/47/24/276754724.db2.gz CFIPRXODIVVSAU-YJBOKZPZSA-N 2 0 335.496 1.113 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000189462887 276789398 /nfs/dbraw/zinc/78/93/98/276789398.db2.gz ZJKDXNWGBYRJJY-YESZJQIVSA-N 2 0 346.475 1.039 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636350 277105194 /nfs/dbraw/zinc/10/51/94/277105194.db2.gz HTWNMLOGOLBNNJ-MSOLQXFVSA-N 2 0 330.476 1.091 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CCCC[C@@H]3CC[NH3+])ccn2)CC1 ZINC000357379184 277112425 /nfs/dbraw/zinc/11/24/25/277112425.db2.gz QGPUQWSJFLATIS-MRXNPFEDSA-N 2 0 331.464 1.177 20 0 EDADRP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000168515087 277229065 /nfs/dbraw/zinc/22/90/65/277229065.db2.gz PQCWYSYSKUXPPR-FUHWJXTLSA-N 2 0 333.476 1.734 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000348029261 277310449 /nfs/dbraw/zinc/31/04/49/277310449.db2.gz RJUOZEQBQVTCLQ-QZTJIDSGSA-N 2 0 337.508 1.819 20 0 EDADRP COC(=O)[C@@H]1[C@H]2CCC[C@H]2C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249282602 277374872 /nfs/dbraw/zinc/37/48/72/277374872.db2.gz NCQYEDJLJOYAJY-BZSNNMDCSA-N 2 0 337.508 1.676 20 0 EDADRP C[C@@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000249030719 277540274 /nfs/dbraw/zinc/54/02/74/277540274.db2.gz LYYKEVHNEYAGSZ-FPCVCCKLSA-N 2 0 325.497 1.708 20 0 EDADRP C[C@H](CCNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000417814112 278173404 /nfs/dbraw/zinc/17/34/04/278173404.db2.gz MXZCCOATXATQDD-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)c2ccccc2)CC1 ZINC000264293537 278395124 /nfs/dbraw/zinc/39/51/24/278395124.db2.gz OUOIGGZGXPIHKT-MRXNPFEDSA-N 2 0 333.476 1.674 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415516350 278889748 /nfs/dbraw/zinc/88/97/48/278889748.db2.gz FUTYJJNMRGSUID-IGCXYCKISA-N 2 0 344.459 1.370 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000354492832 278941615 /nfs/dbraw/zinc/94/16/15/278941615.db2.gz JRGAQSCRPOYBMH-WBVHZDCISA-N 2 0 327.513 1.704 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000364007527 279123526 /nfs/dbraw/zinc/12/35/26/279123526.db2.gz XFEOYFQMOFDBNK-MRXNPFEDSA-N 2 0 342.528 1.451 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@H](C)[NH3+])CC1 ZINC000417744180 279360812 /nfs/dbraw/zinc/36/08/12/279360812.db2.gz DPMPCMIKVLLAOB-IKGGRYGDSA-N 2 0 339.528 1.171 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352435963 279362699 /nfs/dbraw/zinc/36/26/99/279362699.db2.gz WVAYNMSYTNLVSA-IXDOHACOSA-N 2 0 345.553 1.205 20 0 EDADRP Cn1cnc2c1CC[NH+](CCCC[N@H+]1CCc3c(ncn3C)C1)C2 ZINC000363506552 279386588 /nfs/dbraw/zinc/38/65/88/279386588.db2.gz LWOLYYMPXZVNQX-UHFFFAOYSA-N 2 0 328.464 1.350 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333733166 279905826 /nfs/dbraw/zinc/90/58/26/279905826.db2.gz WLWLKLNMMAVPOL-JLJPHGGASA-N 2 0 334.439 1.522 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000377787639 280067690 /nfs/dbraw/zinc/06/76/90/280067690.db2.gz WBEVJLAOXHXAIG-IRXDYDNUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)[NH+]1CCN(C)CC1 ZINC000340962976 280247527 /nfs/dbraw/zinc/24/75/27/280247527.db2.gz PJSHAROMUQHIRF-BBWFWOEESA-N 2 0 339.528 1.040 20 0 EDADRP O=C1OCC[C@H]2CC[N@H+](CCCC[NH+]3CC[C@H]4CCOC(=O)[C@H]43)[C@@H]12 ZINC000369974929 280308363 /nfs/dbraw/zinc/30/83/63/280308363.db2.gz QPLXZPDKVCPMSZ-GEEKYZPCSA-N 2 0 336.432 1.041 20 0 EDADRP CC[C@H](C(=O)NC[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC000442834417 280678965 /nfs/dbraw/zinc/67/89/65/280678965.db2.gz DEGJDKILPHLISC-RVKKMQEKSA-N 2 0 340.512 1.022 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000362862850 288275225 /nfs/dbraw/zinc/27/52/25/288275225.db2.gz LDVUZUFZFSSNBH-RDJZCZTQSA-N 2 0 333.476 1.665 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176635648 282051407 /nfs/dbraw/zinc/05/14/07/282051407.db2.gz UOOHUXWWYPXNEO-RDJZCZTQSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495679573 288519101 /nfs/dbraw/zinc/51/91/01/288519101.db2.gz LKUKVSPANVFEHW-SUMDDJOVSA-N 2 0 348.491 1.419 20 0 EDADRP COCCOCc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000289734116 288769228 /nfs/dbraw/zinc/76/92/28/288769228.db2.gz MUENDRZESXCTSP-KRWDZBQOSA-N 2 0 335.492 1.575 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289953703 288810157 /nfs/dbraw/zinc/81/01/57/288810157.db2.gz PJVYQCNLMIKOCK-INIZCTEOSA-N 2 0 333.432 1.892 20 0 EDADRP C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccco1 ZINC000291378233 289047051 /nfs/dbraw/zinc/04/70/51/289047051.db2.gz AQAKFFQMPGLDPJ-CQSZACIVSA-N 2 0 328.416 1.938 20 0 EDADRP C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)NCc1ccco1 ZINC000291378226 289047061 /nfs/dbraw/zinc/04/70/61/289047061.db2.gz AQAKFFQMPGLDPJ-AWEZNQCLSA-N 2 0 328.416 1.938 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)C23CCC[NH+]2CCC3)ccn1 ZINC000291444698 289067348 /nfs/dbraw/zinc/06/73/48/289067348.db2.gz MSLXHZOXYGNVLR-UHFFFAOYSA-N 2 0 332.448 1.267 20 0 EDADRP C[NH+](C)CC1(C(=O)NC2(CCO)CC[NH+](C)CC2)CCCCC1 ZINC000427091619 289082517 /nfs/dbraw/zinc/08/25/17/289082517.db2.gz FKSFIYWRTDMTFW-UHFFFAOYSA-N 2 0 325.497 1.462 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCc2nccn21 ZINC000377955033 289114134 /nfs/dbraw/zinc/11/41/34/289114134.db2.gz XULULEVUNYQDBE-INIZCTEOSA-N 2 0 335.496 1.493 20 0 EDADRP C[C@@]1(O)CCC[N@H+](CCOCC[NH+]2CCC[C@](C)(O)CC2)CC1 ZINC000369129407 289208567 /nfs/dbraw/zinc/20/85/67/289208567.db2.gz DQTPCAJCAUQGPI-HDICACEKSA-N 2 0 328.497 1.477 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000342594801 289215473 /nfs/dbraw/zinc/21/54/73/289215473.db2.gz WRKXCBSZEXNZGA-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352821 289278020 /nfs/dbraw/zinc/27/80/20/289278020.db2.gz AYBXVOOBTFOWCA-DLBZAZTESA-N 2 0 332.492 1.383 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]CCCNC(=O)OC(C)(C)C)CC1(C)C ZINC000496855177 290043800 /nfs/dbraw/zinc/04/38/00/290043800.db2.gz OXZYPMCBRMEFGR-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@H](C)C1 ZINC000334095482 290093725 /nfs/dbraw/zinc/09/37/25/290093725.db2.gz RJBJQSTZAGPEFX-CABCVRRESA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486964370 290275258 /nfs/dbraw/zinc/27/52/58/290275258.db2.gz HURWXWAEOUHXDV-RKVPGOIHSA-N 2 0 330.476 1.921 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]C1 ZINC000423357208 293265539 /nfs/dbraw/zinc/26/55/39/293265539.db2.gz LUKDTWSOVQIEPO-AOIWGVFYSA-N 2 0 337.508 1.726 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000417311478 293290266 /nfs/dbraw/zinc/29/02/66/293290266.db2.gz MAFOMMUZSVYWHC-NVXWUHKLSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)CCCCC1 ZINC000364115569 295222600 /nfs/dbraw/zinc/22/26/00/295222600.db2.gz ZJBXPSFZLZKRHO-SJORKVTESA-N 2 0 337.508 1.903 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418552842 304512182 /nfs/dbraw/zinc/51/21/82/304512182.db2.gz HORLFJCLPMKDRE-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417739664 297396870 /nfs/dbraw/zinc/39/68/70/297396870.db2.gz QQISFSMJFIFLHT-HUUCEWRRSA-N 2 0 330.476 1.464 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418634372 304522438 /nfs/dbraw/zinc/52/24/38/304522438.db2.gz JIWVXVNINXQSGR-GOSISDBHSA-N 2 0 340.512 1.663 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418807940 304533712 /nfs/dbraw/zinc/53/37/12/304533712.db2.gz ZRAMWNRXMRBOJI-FGTMMUONSA-N 2 0 330.476 1.935 20 0 EDADRP O=C1CCCN1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756896 304626381 /nfs/dbraw/zinc/62/63/81/304626381.db2.gz CPLQHYUDIAUMSZ-QFBILLFUSA-N 2 0 329.444 1.844 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000422036482 447319394 /nfs/dbraw/zinc/31/93/94/447319394.db2.gz NRKSOOYNBPROCK-QGZVFWFLSA-N 2 0 345.491 1.146 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858131 302803869 /nfs/dbraw/zinc/80/38/69/302803869.db2.gz QXZPQGWOYAPZFU-CJNGLKHVSA-N 2 0 336.480 1.929 20 0 EDADRP O=C1COc2ccc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc2N1 ZINC000293733072 303011308 /nfs/dbraw/zinc/01/13/08/303011308.db2.gz WMSJZYPZVXHNBU-HNNXBMFYSA-N 2 0 333.432 1.344 20 0 EDADRP COCCOC[C@@H](O)C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000295040931 303166317 /nfs/dbraw/zinc/16/63/17/303166317.db2.gz NUOXFDOXSGMFSD-OALUTQOASA-N 2 0 336.476 1.464 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)CO2 ZINC000296670278 303330117 /nfs/dbraw/zinc/33/01/17/303330117.db2.gz FVEMRXJROAMBGE-QXAKKESOSA-N 2 0 346.471 1.966 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C(F)F ZINC000416830526 303387984 /nfs/dbraw/zinc/38/79/84/303387984.db2.gz ONFSCGWFLZFSEA-NWDGAFQWSA-N 2 0 330.379 1.698 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCOC2=O)[C@H](C)C1 ZINC000493473652 447333057 /nfs/dbraw/zinc/33/30/57/447333057.db2.gz PNCJINJVPUYTPR-HZPDHXFCSA-N 2 0 327.469 1.555 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000419670322 447335068 /nfs/dbraw/zinc/33/50/68/447335068.db2.gz WVSGJIQGPGWASF-CVEARBPZSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000414879426 447341048 /nfs/dbraw/zinc/34/10/48/447341048.db2.gz ITNJEUKOWCZWBC-AWEZNQCLSA-N 2 0 330.432 1.088 20 0 EDADRP O=C(CCC[NH2+][C@H]1CCC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000422914723 304880031 /nfs/dbraw/zinc/88/00/31/304880031.db2.gz VRVOKPCCPYHVFA-SFHVURJKSA-N 2 0 344.503 1.847 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021415 304883339 /nfs/dbraw/zinc/88/33/39/304883339.db2.gz CAHFKQZYYXVXEQ-KSZLIROESA-N 3 0 340.556 1.979 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]C1 ZINC000423375513 304893869 /nfs/dbraw/zinc/89/38/69/304893869.db2.gz KRDCEFMCNSEYAS-MJGOQNOKSA-N 2 0 337.508 1.727 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)cc1 ZINC000423739282 304907141 /nfs/dbraw/zinc/90/71/41/304907141.db2.gz VQRDPMIFCQJZIL-MRXNPFEDSA-N 2 0 342.447 1.022 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423767093 304909374 /nfs/dbraw/zinc/90/93/74/304909374.db2.gz BRAZXNXPLZEBAD-CQSZACIVSA-N 2 0 325.478 1.407 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414897444 447347943 /nfs/dbraw/zinc/34/79/43/447347943.db2.gz BNEZYYOFAMKWSL-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP COCC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000428755314 305016777 /nfs/dbraw/zinc/01/67/77/305016777.db2.gz XANBGUIHQLXQFY-FQEVSTJZSA-N 2 0 345.487 1.737 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000430599800 305057862 /nfs/dbraw/zinc/05/78/62/305057862.db2.gz BCYBZMPQZCMSJF-CYBMUJFWSA-N 2 0 337.386 1.099 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000430599341 305058045 /nfs/dbraw/zinc/05/80/45/305058045.db2.gz AIHWVMVYOZXSIQ-MRXNPFEDSA-N 2 0 330.476 1.394 20 0 EDADRP Cc1ccc(C)c(OCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430631879 305060368 /nfs/dbraw/zinc/06/03/68/305060368.db2.gz VZHTXISWYZQVLG-GOSISDBHSA-N 2 0 345.487 1.826 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000430951963 305070362 /nfs/dbraw/zinc/07/03/62/305070362.db2.gz OBDAZYTYWCBNNL-ZDUSSCGKSA-N 2 0 339.867 1.894 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)Nc2cccc(N3CCCC3=O)c2)CC1 ZINC000430960173 305071105 /nfs/dbraw/zinc/07/11/05/305071105.db2.gz HJBQKTRSPURGAR-CQSZACIVSA-N 2 0 344.459 1.811 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC(=O)Nc2ccc(C)cc2C)CC1 ZINC000430964398 305071469 /nfs/dbraw/zinc/07/14/69/305071469.db2.gz DXODWZZSPLUOES-UHFFFAOYSA-N 2 0 332.448 1.883 20 0 EDADRP C[C@H]1CCCC[C@H]1OCCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431030347 305073115 /nfs/dbraw/zinc/07/31/15/305073115.db2.gz MARLJIZZNLJSCP-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000431034591 305073378 /nfs/dbraw/zinc/07/33/78/305073378.db2.gz XZFPLZDXOAKUNH-WMZOPIPTSA-N 2 0 325.497 1.773 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059691 305074085 /nfs/dbraw/zinc/07/40/85/305074085.db2.gz CXDMQGLDCRSHFR-IMFGXOCKSA-N 2 0 345.487 1.954 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000433406991 305108259 /nfs/dbraw/zinc/10/82/59/305108259.db2.gz UONUTVXGHNPWCA-KKUMJFAQSA-N 2 0 334.468 1.005 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433452345 305109135 /nfs/dbraw/zinc/10/91/35/305109135.db2.gz VMDFIBKPUUENMG-WBVHZDCISA-N 2 0 338.496 1.365 20 0 EDADRP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc2O1 ZINC000435374060 305139340 /nfs/dbraw/zinc/13/93/40/305139340.db2.gz HAQKOMUUAWQDPP-OAHLLOKOSA-N 2 0 331.460 1.687 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000438888598 305190633 /nfs/dbraw/zinc/19/06/33/305190633.db2.gz DGONPEJXQIPNNH-UNEWFSDZSA-N 2 0 328.460 1.979 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000438891488 305190780 /nfs/dbraw/zinc/19/07/80/305190780.db2.gz UCIDSJUKQRPPFI-QAPCUYQASA-N 2 0 340.471 1.982 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COCc1ccccc1 ZINC000441208950 305218987 /nfs/dbraw/zinc/21/89/87/305218987.db2.gz YRXVCHHJJLVJBH-ZRNYENFQSA-N 2 0 348.487 1.748 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC000446619732 305268141 /nfs/dbraw/zinc/26/81/41/305268141.db2.gz IWQDSGAMUNGYDG-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000447432297 305280101 /nfs/dbraw/zinc/28/01/01/305280101.db2.gz SYCZOVQWODQIED-UHFFFAOYSA-N 2 0 338.521 1.567 20 0 EDADRP C[C@H](O)C[C@@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000447844514 305286894 /nfs/dbraw/zinc/28/68/94/305286894.db2.gz QKFIRFTXEVPNKT-XSLAGTTESA-N 2 0 342.524 1.598 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000448261457 305294802 /nfs/dbraw/zinc/29/48/02/305294802.db2.gz PVYPZRRYXSAENE-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449084539 305306105 /nfs/dbraw/zinc/30/61/05/305306105.db2.gz HUERNQBIXPTYTK-RYTJFDOTSA-N 2 0 325.497 1.757 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000449140989 305307667 /nfs/dbraw/zinc/30/76/67/305307667.db2.gz KQRSRKADAOPEGD-INIZCTEOSA-N 2 0 327.513 1.970 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)C1CCCCC1 ZINC000449317815 305311258 /nfs/dbraw/zinc/31/12/58/305311258.db2.gz DMSOFKPZGAHILN-JCYILVPMSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(N1CCC([C@H]2CC[NH2+]C2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449534296 305313254 /nfs/dbraw/zinc/31/32/54/305313254.db2.gz GOTTVVVPUZQBEF-FXAWDEMLSA-N 2 0 327.472 1.766 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449711720 305317764 /nfs/dbraw/zinc/31/77/64/305317764.db2.gz PBDLZDAONDULFI-QZTJIDSGSA-N 2 0 331.460 1.393 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000451987479 305376333 /nfs/dbraw/zinc/37/63/33/305376333.db2.gz ONYACXUONHDBCN-IBGZPJMESA-N 2 0 349.519 1.570 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1cccc(C[NH+]2CCCC2)c1 ZINC000452354734 305391991 /nfs/dbraw/zinc/39/19/91/305391991.db2.gz WHHMFDZQQKPEPU-IBGZPJMESA-N 2 0 345.487 1.859 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458407527 447349452 /nfs/dbraw/zinc/34/94/52/447349452.db2.gz DEKBVOLLNGPHHN-SJORKVTESA-N 2 0 340.512 1.397 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)C2)cn1 ZINC000425892850 447352099 /nfs/dbraw/zinc/35/20/99/447352099.db2.gz BUXPIGKNIAHXLG-OAHLLOKOSA-N 2 0 344.463 1.634 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000518496554 305762006 /nfs/dbraw/zinc/76/20/06/305762006.db2.gz PONFHOCNIMYRSP-PBHICJAKSA-N 2 0 331.464 1.343 20 0 EDADRP Cc1cc(NC(=O)N[C@](C)(C[NH3+])C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000520369176 305778647 /nfs/dbraw/zinc/77/86/47/305778647.db2.gz BXTKHRSWWJVRRG-QGZVFWFLSA-N 2 0 334.468 1.707 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(F)cc1 ZINC000520517270 305780295 /nfs/dbraw/zinc/78/02/95/305780295.db2.gz AXXWAKKWYYIHFZ-UHFFFAOYSA-N 2 0 331.457 1.081 20 0 EDADRP COc1ccccc1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524936600 305821087 /nfs/dbraw/zinc/82/10/87/305821087.db2.gz PKMIQDLWARQQCY-UHFFFAOYSA-N 2 0 336.480 1.373 20 0 EDADRP COc1ccc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000524931936 305821164 /nfs/dbraw/zinc/82/11/64/305821164.db2.gz LWUPNLPIKQBDKT-HNNXBMFYSA-N 2 0 336.480 1.891 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000414933302 447362672 /nfs/dbraw/zinc/36/26/72/447362672.db2.gz DOLHKWBHKWBKLZ-TZMCWYRMSA-N 2 0 330.432 1.086 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000531491060 305959854 /nfs/dbraw/zinc/95/98/54/305959854.db2.gz CFPWJKMQAMCOKN-HNNXBMFYSA-N 3 0 329.533 1.098 20 0 EDADRP CSc1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000540096177 306038930 /nfs/dbraw/zinc/03/89/30/306038930.db2.gz AOJCIBTZWOTRDY-UHFFFAOYSA-N 2 0 339.509 1.438 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000545312557 306084111 /nfs/dbraw/zinc/08/41/11/306084111.db2.gz WAHZKKIQNVSCEU-INIZCTEOSA-N 2 0 332.496 1.192 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000546590473 306093685 /nfs/dbraw/zinc/09/36/85/306093685.db2.gz BEFJAHCOHWCNCC-LJQANCHMSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1CC(C)(C)O ZINC000547727667 306110208 /nfs/dbraw/zinc/11/02/08/306110208.db2.gz SFKUNFZOLFYXMQ-HNNXBMFYSA-N 2 0 334.464 1.212 20 0 EDADRP C[NH+](C)CCCCC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000551104105 306155806 /nfs/dbraw/zinc/15/58/06/306155806.db2.gz BCEKFLSMLMKKFA-ROUUACIJSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000551739252 306160938 /nfs/dbraw/zinc/16/09/38/306160938.db2.gz YUMFITBMTVLBQG-RTBURBONSA-N 2 0 347.503 1.718 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H](C[NH+](C)C)C1)CCC(F)(F)F ZINC000425963712 447367781 /nfs/dbraw/zinc/36/77/81/447367781.db2.gz CYJXFEGLFOCPDQ-CYBMUJFWSA-N 2 0 338.418 1.854 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000557228159 306226874 /nfs/dbraw/zinc/22/68/74/306226874.db2.gz NSUQRTLUUJASDY-DOTOQJQBSA-N 2 0 346.475 1.570 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC(C)(C)[NH2+]1 ZINC000419725655 447374945 /nfs/dbraw/zinc/37/49/45/447374945.db2.gz SRKXDZOPJCSJMX-OCCSQVGLSA-N 2 0 338.496 1.046 20 0 EDADRP COc1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1OC ZINC000414972523 447379870 /nfs/dbraw/zinc/37/98/70/447379870.db2.gz JPIISMMBEOMYCM-CQSZACIVSA-N 2 0 347.381 1.630 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000449709000 447388711 /nfs/dbraw/zinc/38/87/11/447388711.db2.gz XILFMBFOTSPGNC-INIZCTEOSA-N 2 0 345.491 1.098 20 0 EDADRP CCCN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000419797862 447419919 /nfs/dbraw/zinc/41/99/19/447419919.db2.gz VILHDSBHVPHTDQ-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCc3ccccc3OC2)C1 ZINC000493974589 447421573 /nfs/dbraw/zinc/42/15/73/447421573.db2.gz BWIGSFUWGWFKFK-IAGOWNOFSA-N 2 0 331.460 1.557 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390199 447432632 /nfs/dbraw/zinc/43/26/32/447432632.db2.gz IFDMCTCORLGCCM-ROUUACIJSA-N 2 0 334.508 1.242 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCCC[NH+]2CCCC2)c1 ZINC000045121417 440952402 /nfs/dbraw/zinc/95/24/02/440952402.db2.gz NNTYYBIYANONQO-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000422273034 447435898 /nfs/dbraw/zinc/43/58/98/447435898.db2.gz ZUPLQZXHIRRXIQ-HWOWSKLDSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@@H](C(=O)NC(N)=O)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726507 441202027 /nfs/dbraw/zinc/20/20/27/441202027.db2.gz ULNNIVUEYHXZCS-HNNXBMFYSA-N 2 0 346.475 1.804 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000106518019 441349410 /nfs/dbraw/zinc/34/94/10/441349410.db2.gz GOJGIERGKLLOKU-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000025702639 441353629 /nfs/dbraw/zinc/35/36/29/441353629.db2.gz ADTGMGKNANFWQR-CQSZACIVSA-N 2 0 334.464 1.852 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)C1 ZINC000106561171 441356682 /nfs/dbraw/zinc/35/66/82/441356682.db2.gz GVRRGNCEIWJWQB-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2n[nH]nc2c1 ZINC000112913319 441566340 /nfs/dbraw/zinc/56/63/40/441566340.db2.gz OVCOSJFWMIIRIF-UHFFFAOYSA-N 2 0 332.452 1.304 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000076333682 441630423 /nfs/dbraw/zinc/63/04/23/441630423.db2.gz CKOCJFKPKFPQSF-INIZCTEOSA-N 2 0 344.459 1.082 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458658937 447441611 /nfs/dbraw/zinc/44/16/11/447441611.db2.gz ONGVXVILRXWGAY-IAGOWNOFSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC2CCN(c3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000121860786 441796708 /nfs/dbraw/zinc/79/67/08/441796708.db2.gz DGMDDRLISVDKHQ-ZBFHGGJFSA-N 2 0 343.475 1.975 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCc1ccccn1 ZINC000173906186 441860164 /nfs/dbraw/zinc/86/01/64/441860164.db2.gz KFJPSKSKJZFOLF-SFHVURJKSA-N 2 0 347.507 1.682 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCO[C@H]3CCCC[C@H]32)CC1 ZINC000069173113 441902530 /nfs/dbraw/zinc/90/25/30/441902530.db2.gz RGDVTLCLYFYKMM-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161526565 442007955 /nfs/dbraw/zinc/00/79/55/442007955.db2.gz RLNWZSRKRJIDPG-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151166101 442017317 /nfs/dbraw/zinc/01/73/17/442017317.db2.gz CEFDWRTUIUJSLK-QGZVFWFLSA-N 2 0 335.492 2.000 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126138767 442083149 /nfs/dbraw/zinc/08/31/49/442083149.db2.gz QVMQEIVLEWRCOV-RDJZCZTQSA-N 2 0 328.501 1.253 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175773862 442120078 /nfs/dbraw/zinc/12/00/78/442120078.db2.gz SZLJGRDWFDHXPC-KRWDZBQOSA-N 2 0 340.512 1.472 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000152167432 442174432 /nfs/dbraw/zinc/17/44/32/442174432.db2.gz PMUJRDOYCQJELT-GOSISDBHSA-N 2 0 333.476 1.715 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000176576626 442235974 /nfs/dbraw/zinc/23/59/74/442235974.db2.gz CTDBBPOQZDCQNF-WBVHZDCISA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CN(C)Cc2ccccc2)CC1 ZINC000176867472 442264715 /nfs/dbraw/zinc/26/47/15/442264715.db2.gz XRIKKQBUFWOEAN-KRWDZBQOSA-N 2 0 347.503 1.670 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177534533 442354285 /nfs/dbraw/zinc/35/42/85/442354285.db2.gz WUIDNBTZQFHNIN-KSZLIROESA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C[N@@H+]1C1CC1 ZINC000130294689 442342989 /nfs/dbraw/zinc/34/29/89/442342989.db2.gz BCZFYYNGQBVQIB-NVXWUHKLSA-N 2 0 345.491 1.780 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(-c2nc[nH]n2)c1 ZINC000129241667 442307936 /nfs/dbraw/zinc/30/79/36/442307936.db2.gz PRPCIGDTIJIRAA-UHFFFAOYSA-N 2 0 330.436 1.037 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154036872 442318349 /nfs/dbraw/zinc/31/83/49/442318349.db2.gz NUMBVSKLEVXCNI-DLBZAZTESA-N 3 0 341.544 1.242 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000132200552 442388804 /nfs/dbraw/zinc/38/88/04/442388804.db2.gz GMUJAYHJNOMSSX-MOPGFXCFSA-N 2 0 345.487 1.736 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000133218620 442408971 /nfs/dbraw/zinc/40/89/71/442408971.db2.gz SQJLKLDTRLVTLY-MSOLQXFVSA-N 2 0 331.460 1.345 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000179854172 442512572 /nfs/dbraw/zinc/51/25/72/442512572.db2.gz JVADOLQXBYCBME-HNAYVOBHSA-N 2 0 345.487 1.252 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)C1CCOCC1)C1CCOCC1 ZINC000179864208 442513042 /nfs/dbraw/zinc/51/30/42/442513042.db2.gz XAMVTBYIYVSDCV-IYBDPMFKSA-N 2 0 328.497 1.812 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000186606486 442571267 /nfs/dbraw/zinc/57/12/67/442571267.db2.gz UKQPMNMUUJTAPY-HOTGVXAUSA-N 2 0 343.479 1.339 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000186565674 442562809 /nfs/dbraw/zinc/56/28/09/442562809.db2.gz IKDIFNWNDUQHBP-SFHVURJKSA-N 2 0 345.535 1.662 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000135555678 442611514 /nfs/dbraw/zinc/61/15/14/442611514.db2.gz WOWPYYWYMQHDLY-LJQANCHMSA-N 2 0 345.487 1.601 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC2([NH+](C)C)CCC2)C1 ZINC000186841126 442620065 /nfs/dbraw/zinc/62/00/65/442620065.db2.gz NQPGJTNXYUPRAC-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000135653400 442624048 /nfs/dbraw/zinc/62/40/48/442624048.db2.gz DWOKZTZQBFOHRH-CQSZACIVSA-N 2 0 349.479 1.304 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000192781886 442685928 /nfs/dbraw/zinc/68/59/28/442685928.db2.gz TVGDJQCXKXFEIA-SFHVURJKSA-N 2 0 341.540 1.778 20 0 EDADRP COC(=O)CN1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192935382 442700014 /nfs/dbraw/zinc/70/00/14/442700014.db2.gz OFHBKBGBLLPJPM-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187953469 442700145 /nfs/dbraw/zinc/70/01/45/442700145.db2.gz SLDWEMYWACNTTJ-DSLXNQLJSA-N 2 0 345.487 1.875 20 0 EDADRP COC(=O)c1ccc(CN(C)CC[N@H+](C)C2CCN(C)CC2)s1 ZINC000180954642 442671567 /nfs/dbraw/zinc/67/15/67/442671567.db2.gz MOVUHDHCBJOGNA-UHFFFAOYSA-N 2 0 339.505 1.993 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188145695 442716421 /nfs/dbraw/zinc/71/64/21/442716421.db2.gz JVQUGPVFAKWMEN-MRXNPFEDSA-N 2 0 335.473 1.471 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ncn1 ZINC000246497498 442786916 /nfs/dbraw/zinc/78/69/16/442786916.db2.gz SKLVSHHZLSPFBK-KLHDSHLOSA-N 2 0 332.496 1.805 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](CC)C2CC2)[C@H](C)C1 ZINC000246280684 442768697 /nfs/dbraw/zinc/76/86/97/442768697.db2.gz NMTMERXTQQBRPU-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)NC1CC[NH+](CC2CC2)CC1 ZINC000193704884 442770570 /nfs/dbraw/zinc/77/05/70/442770570.db2.gz ZJHQZQXUGDENCT-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)[C@@H](C)C1 ZINC000246386728 442777237 /nfs/dbraw/zinc/77/72/37/442777237.db2.gz IRRGNSCXDOADBB-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2n[nH]nc21 ZINC000182780590 442824100 /nfs/dbraw/zinc/82/41/00/442824100.db2.gz YOGOEVBPDLMKJJ-UHFFFAOYSA-N 2 0 332.452 1.304 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962907 442875176 /nfs/dbraw/zinc/87/51/76/442875176.db2.gz GLMKCUFINDJOBK-HUUCEWRRSA-N 2 0 334.464 1.267 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000248593943 442904733 /nfs/dbraw/zinc/90/47/33/442904733.db2.gz HTWCDGXIDXFJOB-CABCVRRESA-N 2 0 340.512 1.346 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000194599827 442919716 /nfs/dbraw/zinc/91/97/16/442919716.db2.gz XYXOGKLUFBLWTE-MRXNPFEDSA-N 2 0 335.492 1.432 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000194599841 442919782 /nfs/dbraw/zinc/91/97/82/442919782.db2.gz XYXOGKLUFBLWTE-INIZCTEOSA-N 2 0 335.492 1.432 20 0 EDADRP CCn1cc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000195119006 442983749 /nfs/dbraw/zinc/98/37/49/442983749.db2.gz BDXGKZDFJOEBFM-MRXNPFEDSA-N 2 0 336.484 1.783 20 0 EDADRP NC(=O)c1c[nH+]ccc1NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000184109812 442993578 /nfs/dbraw/zinc/99/35/78/442993578.db2.gz CKNHRDCUOFWOII-UHFFFAOYSA-N 2 0 340.427 1.749 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H](C[NH+](CC)CC)C2)C1(C)C ZINC000249095193 442950592 /nfs/dbraw/zinc/95/05/92/442950592.db2.gz XKWOTRIKSFWHAU-RKVPGOIHSA-N 2 0 325.497 1.709 20 0 EDADRP CN1CCC[C@@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268710320 443084629 /nfs/dbraw/zinc/08/46/29/443084629.db2.gz IEEAAQABGAPPIL-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP CC(C)(C)[C@@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000236604222 443140825 /nfs/dbraw/zinc/14/08/25/443140825.db2.gz BFIOYOSMYXRJDM-ZWKOTPCHSA-N 2 0 345.487 1.564 20 0 EDADRP C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809996 443115994 /nfs/dbraw/zinc/11/59/94/443115994.db2.gz DNAVHZCCVMIKFD-AEFFLSMTSA-N 2 0 335.492 1.734 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2oc3ccccc3c2C[NH+](C)C)C1 ZINC000266412571 443120387 /nfs/dbraw/zinc/12/03/87/443120387.db2.gz CQOBCKNEEVKDDQ-AWEZNQCLSA-N 2 0 345.443 1.945 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000261694245 443164621 /nfs/dbraw/zinc/16/46/21/443164621.db2.gz NZQAOFUEYLJIMF-MRXNPFEDSA-N 2 0 346.475 1.215 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000269235360 443244312 /nfs/dbraw/zinc/24/43/12/443244312.db2.gz GHTCZVWUPTUAJR-ROUUACIJSA-N 2 0 331.460 1.046 20 0 EDADRP COc1cc2nc(N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C)nc(N)c2cc1OC ZINC000266768156 443234374 /nfs/dbraw/zinc/23/43/74/443234374.db2.gz XPOFYROOKRDPRP-NEPJUHHUSA-N 2 0 343.431 1.902 20 0 EDADRP C[N@@H+]1CCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000266773151 443236448 /nfs/dbraw/zinc/23/64/48/443236448.db2.gz KKIGLNMJSSSKAS-GOSISDBHSA-N 2 0 331.460 1.442 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269226898 443240239 /nfs/dbraw/zinc/24/02/39/443240239.db2.gz FKNRBQGRFCPIGC-APWZRJJASA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262712402 443207721 /nfs/dbraw/zinc/20/77/21/443207721.db2.gz FSTCUJIBWOBABH-BZUAXINKSA-N 2 0 333.480 1.658 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000342712508 318988561 /nfs/dbraw/zinc/98/85/61/318988561.db2.gz SFXYXODSOFGQJF-KRWDZBQOSA-N 2 0 331.460 1.777 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000262854426 443215089 /nfs/dbraw/zinc/21/50/89/443215089.db2.gz SQYLQTBAFDRIDB-HZPDHXFCSA-N 2 0 331.464 1.508 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000262915790 443216627 /nfs/dbraw/zinc/21/66/27/443216627.db2.gz RFWCWGRUZLSSMK-GOSISDBHSA-N 2 0 333.476 1.721 20 0 EDADRP CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730418 443246284 /nfs/dbraw/zinc/24/62/84/443246284.db2.gz UXTPVKGVUIJAOR-LSDHHAIUSA-N 2 0 331.526 1.558 20 0 EDADRP C[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269250880 443251022 /nfs/dbraw/zinc/25/10/22/443251022.db2.gz GWOUXMAZOKZAEI-IEBWSBKVSA-N 2 0 345.487 1.878 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@H]2CCCSC2)CC1 ZINC000411763778 319201202 /nfs/dbraw/zinc/20/12/02/319201202.db2.gz ZCYGOPQBMTTZPO-INIZCTEOSA-N 2 0 343.537 1.431 20 0 EDADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1(CO)CCC1 ZINC000411771910 319202407 /nfs/dbraw/zinc/20/24/07/319202407.db2.gz RDITYWVVQUTUNF-SFHVURJKSA-N 2 0 339.524 1.752 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000269257528 443253979 /nfs/dbraw/zinc/25/39/79/443253979.db2.gz KOUVVJYJKXFEDB-GOSISDBHSA-N 2 0 331.460 1.300 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000412252739 319228566 /nfs/dbraw/zinc/22/85/66/319228566.db2.gz QPMRSBFCTCZMFX-LJQANCHMSA-N 2 0 331.460 1.469 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413511786 319272513 /nfs/dbraw/zinc/27/25/13/319272513.db2.gz XCDONMIQIJFLQF-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000414661970 319337876 /nfs/dbraw/zinc/33/78/76/319337876.db2.gz PHMIEJJFDGDIDK-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP CN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000414672023 319339355 /nfs/dbraw/zinc/33/93/55/319339355.db2.gz OSNNGRXOXJAUSI-SJLPKXTDSA-N 2 0 330.476 1.172 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000414685128 319342207 /nfs/dbraw/zinc/34/22/07/319342207.db2.gz YBBATGPXDHYGCQ-MRXNPFEDSA-N 2 0 348.491 1.827 20 0 EDADRP CC[N@@H+](Cc1c(F)cccc1F)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688300 319342881 /nfs/dbraw/zinc/34/28/81/319342881.db2.gz CYLXVODMTVAMNW-ZDUSSCGKSA-N 2 0 325.403 1.984 20 0 EDADRP O=C(C[NH2+]CC1CC1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000269267230 443258580 /nfs/dbraw/zinc/25/85/80/443258580.db2.gz PZRLOGPDNUXKMR-UHFFFAOYSA-N 2 0 349.450 1.785 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000415196294 319349118 /nfs/dbraw/zinc/34/91/18/319349118.db2.gz ACKKUVIQSHMUDV-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415197659 319349634 /nfs/dbraw/zinc/34/96/34/319349634.db2.gz SUYGETAMBGMOQE-KRWDZBQOSA-N 2 0 342.443 1.361 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+](C2CCC2)C1 ZINC000415269194 319359108 /nfs/dbraw/zinc/35/91/08/319359108.db2.gz OWFATMCGFNTOEZ-CQSZACIVSA-N 2 0 344.459 1.417 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415822610 319374075 /nfs/dbraw/zinc/37/40/75/319374075.db2.gz MQWLXRRIRHSXDC-KRWDZBQOSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000415838911 319377038 /nfs/dbraw/zinc/37/70/38/319377038.db2.gz DOTUOZRJZZXLRO-GOEBONIOSA-N 2 0 346.475 1.173 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134587 443271060 /nfs/dbraw/zinc/27/10/60/443271060.db2.gz MTPWRQUZPIZNFN-HZPDHXFCSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000269313302 443278396 /nfs/dbraw/zinc/27/83/96/443278396.db2.gz XYDDTHNVDJGJMH-ZWKOTPCHSA-N 2 0 332.492 1.465 20 0 EDADRP Cc1cc(CN2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000191389680 443288454 /nfs/dbraw/zinc/28/84/54/443288454.db2.gz RQPPKYNGFDUKDZ-UHFFFAOYSA-N 2 0 349.523 1.517 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CCCC1 ZINC000416827811 319464834 /nfs/dbraw/zinc/46/48/34/319464834.db2.gz NXNWUYUVPNEQNP-HNNXBMFYSA-N 2 0 338.496 1.258 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000416839094 319465843 /nfs/dbraw/zinc/46/58/43/319465843.db2.gz JJSXJFYNYTYUEJ-CADBVGFASA-N 2 0 344.503 1.928 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000416956945 319485225 /nfs/dbraw/zinc/48/52/25/319485225.db2.gz WSSYFFDPURDVCV-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000282397770 443326874 /nfs/dbraw/zinc/32/68/74/443326874.db2.gz KHNABCMQHZGSQR-BZSNNMDCSA-N 2 0 343.471 1.883 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417371127 319495161 /nfs/dbraw/zinc/49/51/61/319495161.db2.gz VBJCJTBYWKJTHY-RDJZCZTQSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278455043 443337031 /nfs/dbraw/zinc/33/70/31/443337031.db2.gz YODLGOQYSPNZCA-OAHLLOKOSA-N 2 0 345.443 1.373 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000267094868 443339961 /nfs/dbraw/zinc/33/99/61/443339961.db2.gz KVCRGWWVASJKNU-UHFFFAOYSA-N 2 0 345.487 1.859 20 0 EDADRP C[C@]([NH2+]CC[C@H]1CC[NH2+]C1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000420382911 319613133 /nfs/dbraw/zinc/61/31/33/319613133.db2.gz ZCBNFFLMYPQLGV-IAQYHMDHSA-N 2 0 329.366 1.995 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420384290 319614165 /nfs/dbraw/zinc/61/41/65/319614165.db2.gz GLZMTNDYGVWSBX-XIRDDKMYSA-N 2 0 325.497 1.756 20 0 EDADRP Cc1ccc2cccnc2c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420446843 319620772 /nfs/dbraw/zinc/62/07/72/319620772.db2.gz BZIAAUKOOYSBOK-UHFFFAOYSA-N 2 0 336.461 1.232 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000422698581 319733085 /nfs/dbraw/zinc/73/30/85/319733085.db2.gz ZZGDLAMWOWVDHV-MSOLQXFVSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000423003192 319745245 /nfs/dbraw/zinc/74/52/45/319745245.db2.gz KZSNWLDDFNWGIR-OAHLLOKOSA-N 2 0 339.505 1.829 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000265006453 443507470 /nfs/dbraw/zinc/50/74/70/443507470.db2.gz YLRWUOXPSDEUAU-INIZCTEOSA-N 2 0 325.403 1.949 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423394712 319770729 /nfs/dbraw/zinc/77/07/29/319770729.db2.gz MZAXFKVVHUZDKN-LOWVWBTDSA-N 2 0 328.254 1.587 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423404690 319772170 /nfs/dbraw/zinc/77/21/70/319772170.db2.gz XOWZMNSHWKDLQB-KRWDZBQOSA-N 2 0 333.480 1.802 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000423584478 319787669 /nfs/dbraw/zinc/78/76/69/319787669.db2.gz NPSMKDKZXTZSHU-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000265390799 443626153 /nfs/dbraw/zinc/62/61/53/443626153.db2.gz SRUVJXIKJGBVDG-IBGZPJMESA-N 2 0 345.487 1.688 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N(C)CCOc2ccccc2F)CC1 ZINC000430930092 319935924 /nfs/dbraw/zinc/93/59/24/319935924.db2.gz RRBIRAHORXRRKV-UHFFFAOYSA-N 2 0 337.439 1.594 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000433143635 319971739 /nfs/dbraw/zinc/97/17/39/319971739.db2.gz ZQFQMWVGBQKVRI-UHFFFAOYSA-N 2 0 344.459 1.721 20 0 EDADRP CCC1(CC)[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@@H]1OC ZINC000433150953 319972078 /nfs/dbraw/zinc/97/20/78/319972078.db2.gz MVMDAMBVJCIGIJ-CVEARBPZSA-N 2 0 325.497 1.900 20 0 EDADRP COCCN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433166303 319973503 /nfs/dbraw/zinc/97/35/03/319973503.db2.gz FRAOXFDACMPLRR-UHFFFAOYSA-N 2 0 333.476 1.865 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCCN(c3ccccc3)CC2)CC1 ZINC000433171542 319974002 /nfs/dbraw/zinc/97/40/02/319974002.db2.gz DWQJWEFYYSODDT-UHFFFAOYSA-N 2 0 344.503 1.929 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000276163060 443658571 /nfs/dbraw/zinc/65/85/71/443658571.db2.gz FALNBVXKQAYVBJ-UHFFFAOYSA-N 2 0 346.519 1.999 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)c2)CC1 ZINC000444270848 320123733 /nfs/dbraw/zinc/12/37/33/320123733.db2.gz PYEAQACYRMEOBU-IEBWSBKVSA-N 2 0 328.460 1.372 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444271953 320123985 /nfs/dbraw/zinc/12/39/85/320123985.db2.gz UWCAZJZDKFYBMY-ICSRJNTNSA-N 2 0 342.487 1.762 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000447440876 320142260 /nfs/dbraw/zinc/14/22/60/320142260.db2.gz LRZZYQILKJFMTI-RDJZCZTQSA-N 2 0 349.475 1.366 20 0 EDADRP COc1ccc(-n2cc(C[NH2+]CCCN3CC[NH+](C)CC3)cn2)cc1 ZINC000449218843 320179161 /nfs/dbraw/zinc/17/91/61/320179161.db2.gz LHKOWQZYKWWHES-UHFFFAOYSA-N 2 0 343.475 1.608 20 0 EDADRP OC1CCN(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449645275 320196511 /nfs/dbraw/zinc/19/65/11/320196511.db2.gz JDYWXLLDYQHDJD-HMXCVIKNSA-N 2 0 343.515 1.943 20 0 EDADRP OC1CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449645276 320196617 /nfs/dbraw/zinc/19/66/17/320196617.db2.gz JDYWXLLDYQHDJD-SESVDKBCSA-N 2 0 343.515 1.943 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([S@](C)=O)cc2)CC1 ZINC000449744844 320204012 /nfs/dbraw/zinc/20/40/12/320204012.db2.gz KEOJXOBXTKSIQA-QHCPKHFHSA-N 2 0 337.533 1.930 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000455446146 320303368 /nfs/dbraw/zinc/30/33/68/320303368.db2.gz VNLBPFCLLAPDMC-HRCADAONSA-N 2 0 340.512 1.467 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000495945861 320403253 /nfs/dbraw/zinc/40/32/53/320403253.db2.gz KIHGUOCKAORJLM-UHFFFAOYSA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](CCOC)C3)c2)CC1 ZINC000276436218 443704670 /nfs/dbraw/zinc/70/46/70/443704670.db2.gz QSJOVQQOKYDFEK-SFHVURJKSA-N 2 0 332.492 1.961 20 0 EDADRP Cc1ccc(OCCCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000518517785 320458131 /nfs/dbraw/zinc/45/81/31/320458131.db2.gz OGSQBGLZAIABQC-SFHVURJKSA-N 2 0 335.492 1.352 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCSC1 ZINC000276553994 443744587 /nfs/dbraw/zinc/74/45/87/443744587.db2.gz FROFJLXZTXWTBT-GOSISDBHSA-N 2 0 333.501 1.542 20 0 EDADRP C[C@@H](CNc1nc2c(c(NC[C@H](C)[NH+](C)C)n1)SCC2)[NH+](C)C ZINC000288294895 443835403 /nfs/dbraw/zinc/83/54/03/443835403.db2.gz GXLGOJZIGRFIMR-RYUDHWBXSA-N 2 0 338.525 1.849 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000530241040 320617365 /nfs/dbraw/zinc/61/73/65/320617365.db2.gz ATMBDYPWVCOSNH-KRWDZBQOSA-N 2 0 330.476 1.823 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000298891883 443894600 /nfs/dbraw/zinc/89/46/00/443894600.db2.gz XEXVQNIKTNJJFK-LSDHHAIUSA-N 2 0 346.475 1.852 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000288502922 443901612 /nfs/dbraw/zinc/90/16/12/443901612.db2.gz BJOSMEYXBFJRBM-INIZCTEOSA-N 2 0 335.448 1.424 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000288562415 443919142 /nfs/dbraw/zinc/91/91/42/443919142.db2.gz WHYRZAMKOUTMDZ-MRXNPFEDSA-N 2 0 331.460 1.298 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)CC1 ZINC000293581814 444060366 /nfs/dbraw/zinc/06/03/66/444060366.db2.gz YNZQYOKUVBQZMG-RBUKOAKNSA-N 2 0 342.487 1.258 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000557241638 321000933 /nfs/dbraw/zinc/00/09/33/321000933.db2.gz SQFQABXZDATYNE-GRZALLJUSA-N 2 0 348.466 1.898 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000561194631 321035945 /nfs/dbraw/zinc/03/59/45/321035945.db2.gz ZAEFCSSYDBREAP-XYJFISCASA-N 2 0 339.443 1.293 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000561280093 321039035 /nfs/dbraw/zinc/03/90/35/321039035.db2.gz DIXGRDDVTLGMSR-PKOBYXMFSA-N 2 0 331.460 1.521 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000562666899 321067901 /nfs/dbraw/zinc/06/79/01/321067901.db2.gz ANCSWIKCPVFHRG-ZACQAIPSSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000564431178 321131350 /nfs/dbraw/zinc/13/13/50/321131350.db2.gz ZXZIPPBTAHNYNA-NEWSRXKRSA-N 2 0 344.503 1.991 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CC1 ZINC000565038560 321165454 /nfs/dbraw/zinc/16/54/54/321165454.db2.gz HBSOEEDBNMHJDC-GOSISDBHSA-N 2 0 336.524 1.251 20 0 EDADRP CCC[N@H+](C[C@H](O)CN(C)CCOC)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000565549720 321191333 /nfs/dbraw/zinc/19/13/33/321191333.db2.gz PBOCQZBMMMQGLS-QBPKDAKJSA-N 2 0 328.497 1.451 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCC(C)CC1 ZINC000565940059 321207261 /nfs/dbraw/zinc/20/72/61/321207261.db2.gz QNVZPCLNHNDLML-DLBZAZTESA-N 2 0 340.512 1.421 20 0 EDADRP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811511 321234198 /nfs/dbraw/zinc/23/41/98/321234198.db2.gz WMFPBOIAVJKBLV-CXAGYDPISA-N 2 0 337.489 1.643 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)c1 ZINC000566972068 321237388 /nfs/dbraw/zinc/23/73/88/321237388.db2.gz YLHOLDXOPXOMAB-HOCLYGCPSA-N 2 0 332.448 1.646 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000567804646 321258804 /nfs/dbraw/zinc/25/88/04/321258804.db2.gz RODYHFCQFLMGKD-LJQANCHMSA-N 2 0 345.487 1.197 20 0 EDADRP C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000568389343 321289157 /nfs/dbraw/zinc/28/91/57/321289157.db2.gz DSPPMVGODGFKPH-YESZJQIVSA-N 2 0 325.497 1.221 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000289361103 444117525 /nfs/dbraw/zinc/11/75/25/444117525.db2.gz ZGOVWBKWPZXZLR-LJQANCHMSA-N 2 0 331.460 1.843 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)[NH+](CC)CC ZINC000571135913 321373766 /nfs/dbraw/zinc/37/37/66/321373766.db2.gz RMLKOGVVLWDKGA-ZWKOTPCHSA-N 2 0 338.540 1.734 20 0 EDADRP c1cc2c(cc1CN1CC[NH+](CC3CCOCC3)CC1)C[NH2+]CC2 ZINC000571217651 321377411 /nfs/dbraw/zinc/37/74/11/321377411.db2.gz OEGFYHPQVSARAG-UHFFFAOYSA-N 2 0 329.488 1.877 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000285813631 444116243 /nfs/dbraw/zinc/11/62/43/444116243.db2.gz SCLUBCMNHSSARC-HRVKUGKESA-N 2 0 343.471 1.677 20 0 EDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289556051 444170673 /nfs/dbraw/zinc/17/06/73/444170673.db2.gz CKSNAJKUQLFYBE-MRXNPFEDSA-N 2 0 325.478 1.643 20 0 EDADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285969149 444165647 /nfs/dbraw/zinc/16/56/47/444165647.db2.gz GZZDSLDHPMLKFM-KRWDZBQOSA-N 2 0 342.491 1.946 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)nc1 ZINC000299712779 444122525 /nfs/dbraw/zinc/12/25/25/444122525.db2.gz JCWYJIFXTMMTSJ-INIZCTEOSA-N 2 0 334.464 1.578 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(C)=O)cn1C ZINC000299718584 444123663 /nfs/dbraw/zinc/12/36/63/444123663.db2.gz LRFQRXLINBFPBA-QGZVFWFLSA-N 2 0 348.491 1.716 20 0 EDADRP COc1ccccc1O[C@@H]1CCCN(C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000289780747 444202718 /nfs/dbraw/zinc/20/27/18/444202718.db2.gz MRXOGUSDHTXCEM-IAGOWNOFSA-N 2 0 334.460 1.994 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000302128651 444205138 /nfs/dbraw/zinc/20/51/38/444205138.db2.gz AIIDBILFAIBLGS-UHFFFAOYSA-N 2 0 347.463 1.219 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000576492714 321571739 /nfs/dbraw/zinc/57/17/39/321571739.db2.gz YNKGBPUIEDNRKC-ZACQAIPSSA-N 2 0 338.496 1.148 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000290207059 444254656 /nfs/dbraw/zinc/25/46/56/444254656.db2.gz RTVGXMQJEZLUFN-RBUKOAKNSA-N 2 0 344.503 1.703 20 0 EDADRP CC[NH2+]CCCNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000576758354 321593721 /nfs/dbraw/zinc/59/37/21/321593721.db2.gz OAHBPEZMEJLSPH-UHFFFAOYSA-N 2 0 332.492 1.623 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)Cc1ccccc1 ZINC000289997391 444228363 /nfs/dbraw/zinc/22/83/63/444228363.db2.gz RMGPDZBJMZKDKA-DLBZAZTESA-N 2 0 349.475 1.336 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)c1cc(N2CCCC[C@H]2CO)ncn1 ZINC000302889202 444229761 /nfs/dbraw/zinc/22/97/61/444229761.db2.gz NCFQAAAYSFVTIV-HOTGVXAUSA-N 2 0 333.480 1.606 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000577083471 321621916 /nfs/dbraw/zinc/62/19/16/321621916.db2.gz YSAQRHVIGQOOIJ-HCXYKTFWSA-N 2 0 344.503 1.847 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000303268816 444235989 /nfs/dbraw/zinc/23/59/89/444235989.db2.gz JBHXIKLMDLRQEV-CABCVRRESA-N 2 0 327.513 1.704 20 0 EDADRP CCO[C@@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000577216141 321633467 /nfs/dbraw/zinc/63/34/67/321633467.db2.gz GELMBQUJQWHFED-MSOLQXFVSA-N 2 0 327.513 1.170 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000577354649 321644216 /nfs/dbraw/zinc/64/42/16/321644216.db2.gz AQCDTEHCZSCYRP-LSDHHAIUSA-N 2 0 340.512 1.563 20 0 EDADRP CCC1(CO)CC[NH+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000305693063 444272907 /nfs/dbraw/zinc/27/29/07/444272907.db2.gz BMWRGFHEBJMAHD-UHFFFAOYSA-N 2 0 325.497 1.460 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731160 444289802 /nfs/dbraw/zinc/28/98/02/444289802.db2.gz PDJOTNMFTHDGEU-IAGOWNOFSA-N 2 0 333.501 1.720 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@@H](C)C1 ZINC000298078500 444408669 /nfs/dbraw/zinc/40/86/69/444408669.db2.gz DNSPFEKZTUDNLK-DLBZAZTESA-N 2 0 345.487 1.876 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000340517310 444421970 /nfs/dbraw/zinc/42/19/70/444421970.db2.gz MZQJHDUBOBHNPX-QZTJIDSGSA-N 2 0 329.448 1.413 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331212402 444446056 /nfs/dbraw/zinc/44/60/56/444446056.db2.gz ZPNNVCLVFNKKBE-HNNXBMFYSA-N 2 0 339.505 1.901 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218581 444447202 /nfs/dbraw/zinc/44/72/02/444447202.db2.gz HOLWGAMIRJBXBX-BBRMVZONSA-N 2 0 343.468 1.376 20 0 EDADRP COc1ccc(C2(C[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)CCC2)cc1 ZINC000580306232 322033982 /nfs/dbraw/zinc/03/39/82/322033982.db2.gz FEYUCXVABUGHOA-SFHVURJKSA-N 2 0 347.503 1.315 20 0 EDADRP COc1ccc2ccccc2c1C[N@@H+]1CCN2C(=O)[C@@H]([NH3+])C[C@H]2C1 ZINC000580570565 322069542 /nfs/dbraw/zinc/06/95/42/322069542.db2.gz CHPTYOZNKIFTKH-YOEHRIQHSA-N 2 0 325.412 1.592 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCc2c(ncn2-c2ccccc2)C1 ZINC000581258531 322156829 /nfs/dbraw/zinc/15/68/29/322156829.db2.gz DZKZHPMDCRVRBF-QGZVFWFLSA-N 2 0 344.459 1.170 20 0 EDADRP COC(=O)[C@@](C)(O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000343709104 444535642 /nfs/dbraw/zinc/53/56/42/444535642.db2.gz CCEAXPRAAJBMTC-SFHVURJKSA-N 2 0 335.448 1.544 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000332594887 444520886 /nfs/dbraw/zinc/52/08/86/444520886.db2.gz GLHGDUSJTRRWRY-CVEARBPZSA-N 2 0 329.510 1.405 20 0 EDADRP C[C@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000343713697 444539920 /nfs/dbraw/zinc/53/99/20/444539920.db2.gz GXDZZCBHPIUXEI-RDJZCZTQSA-N 2 0 327.513 1.263 20 0 EDADRP CCC[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC000343851346 444627613 /nfs/dbraw/zinc/62/76/13/444627613.db2.gz OXGHPKNDTJNTNZ-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000338300620 444619419 /nfs/dbraw/zinc/61/94/19/444619419.db2.gz CPFWUCMFLMISDY-CVEARBPZSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639970 444660655 /nfs/dbraw/zinc/66/06/55/444660655.db2.gz WVAPHUIFGCZXFS-YOEHRIQHSA-N 2 0 337.489 1.656 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343875717 444640597 /nfs/dbraw/zinc/64/05/97/444640597.db2.gz NWLRAMQPZNVMJC-ZDUSSCGKSA-N 2 0 325.403 1.855 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC[NH2+]CC1 ZINC000333856371 444703400 /nfs/dbraw/zinc/70/34/00/444703400.db2.gz RAJBSDRPLGMRDQ-CVEARBPZSA-N 2 0 338.496 1.128 20 0 EDADRP CC1CCC(NC(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000333859297 444703797 /nfs/dbraw/zinc/70/37/97/444703797.db2.gz PMFUFRJEQVRIHG-BACDZXNISA-N 2 0 335.492 1.382 20 0 EDADRP Cc1cccc(NC(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C ZINC000333880425 444706684 /nfs/dbraw/zinc/70/66/84/444706684.db2.gz UJORAXOLQVHHHS-AEFFLSMTSA-N 2 0 343.471 1.942 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341182952 444714454 /nfs/dbraw/zinc/71/44/54/444714454.db2.gz HMUIBWNRARNAPJ-GOSISDBHSA-N 2 0 334.460 1.903 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000333921329 444718874 /nfs/dbraw/zinc/71/88/74/444718874.db2.gz QNVIMHYXTQXXTM-INIZCTEOSA-N 2 0 338.496 1.544 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000341201457 444725521 /nfs/dbraw/zinc/72/55/21/444725521.db2.gz NZTLLQNPTSSNCJ-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000341123073 444684748 /nfs/dbraw/zinc/68/47/48/444684748.db2.gz KRFPNSFJDZMHRP-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342422568 444685471 /nfs/dbraw/zinc/68/54/71/444685471.db2.gz HASWXRHJJAPJFR-ZBFHGGJFSA-N 2 0 325.522 1.614 20 0 EDADRP Cc1ccc2nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc(=O)n2c1 ZINC000344039881 444744719 /nfs/dbraw/zinc/74/47/19/444744719.db2.gz UZUHHKPJNQRLHF-UHFFFAOYSA-N 2 0 345.491 1.318 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000341257908 444751293 /nfs/dbraw/zinc/75/12/93/444751293.db2.gz KLSSCONRJZXNAL-RDJZCZTQSA-N 2 0 330.476 1.883 20 0 EDADRP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)[C@H]1C ZINC000344054539 444753438 /nfs/dbraw/zinc/75/34/38/444753438.db2.gz JCUREKSRPYDARF-FGTMMUONSA-N 2 0 340.556 1.743 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000334043637 444758041 /nfs/dbraw/zinc/75/80/41/444758041.db2.gz PGTWTVUUAXMLCJ-YESZJQIVSA-N 2 0 338.496 1.148 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](C)CC(C)(C)C2)C1 ZINC000344061886 444759111 /nfs/dbraw/zinc/75/91/11/444759111.db2.gz MYKJQMYUKBJGKU-IRXDYDNUSA-N 2 0 339.524 1.827 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)C[N@H+](C)C(C)C)CCCC2)CC1 ZINC000341281543 444761091 /nfs/dbraw/zinc/76/10/91/444761091.db2.gz HSGCMHMNJKJXFV-UHFFFAOYSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H](O)C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000341217160 444734930 /nfs/dbraw/zinc/73/49/30/444734930.db2.gz RSQONTBVJRQSBT-HOTGVXAUSA-N 2 0 349.479 1.052 20 0 EDADRP CCC[N@@H+](CCC(=O)N1CCC[C@@H]1C)CCN1CC[NH+](CC)CC1 ZINC000344133681 444799117 /nfs/dbraw/zinc/79/91/17/444799117.db2.gz QNWNYKPKQPMSHQ-SFHVURJKSA-N 2 0 338.540 1.737 20 0 EDADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000330022836 444813999 /nfs/dbraw/zinc/81/39/99/444813999.db2.gz HSNSKMGFOFQETB-VXGBXAGGSA-N 2 0 330.436 1.387 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C(=O)NC)cc1 ZINC000344169165 444819336 /nfs/dbraw/zinc/81/93/36/444819336.db2.gz OIAZQYZUTMNRTN-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000330121580 444851938 /nfs/dbraw/zinc/85/19/38/444851938.db2.gz BOVGKCOQDGGMDE-UHFFFAOYSA-N 2 0 336.480 1.908 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341704317 444959113 /nfs/dbraw/zinc/95/91/13/444959113.db2.gz HBSCAXIZRRHDDR-UHFFFAOYSA-N 2 0 346.519 1.604 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000342956613 444966332 /nfs/dbraw/zinc/96/63/32/444966332.db2.gz YEWJYJMTBAHLMK-OAHLLOKOSA-N 2 0 349.479 1.258 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344442454 444974843 /nfs/dbraw/zinc/97/48/43/444974843.db2.gz OKLUUYHBQZSOOZ-QGZVFWFLSA-N 2 0 347.507 1.733 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000341646437 444932556 /nfs/dbraw/zinc/93/25/56/444932556.db2.gz UNYNTNSVIKPSBR-LXPRWKDFSA-N 2 0 337.508 1.678 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000344485447 445004516 /nfs/dbraw/zinc/00/45/16/445004516.db2.gz XXIFAYWDFOQGSA-KRWDZBQOSA-N 2 0 340.512 1.254 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000330659045 445084233 /nfs/dbraw/zinc/08/42/33/445084233.db2.gz RCYXSZCCQHXKSQ-ZBFHGGJFSA-N 2 0 325.478 1.203 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000339344923 445132622 /nfs/dbraw/zinc/13/26/22/445132622.db2.gz BLBSTZRXJTZESW-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP CCn1nccc1C[N@H+](CCO)CCCN1CC[NH+](C(C)C)CC1 ZINC000337472300 445095196 /nfs/dbraw/zinc/09/51/96/445095196.db2.gz QAQGJOXNLXXZSH-UHFFFAOYSA-N 2 0 337.512 1.113 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000337499430 445105778 /nfs/dbraw/zinc/10/57/78/445105778.db2.gz BIONGIMHHJXWLM-ROUUACIJSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000337499431 445106150 /nfs/dbraw/zinc/10/61/50/445106150.db2.gz BIONGIMHHJXWLM-ZWKOTPCHSA-N 2 0 344.503 1.785 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580097 445148796 /nfs/dbraw/zinc/14/87/96/445148796.db2.gz NCDWCWXVMPAYHQ-ROUUACIJSA-N 2 0 349.523 1.935 20 0 EDADRP CN(C)c1cc[nH+]cc1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000339546036 445149278 /nfs/dbraw/zinc/14/92/78/445149278.db2.gz IRZUKXZGCJVJDR-IBGZPJMESA-N 2 0 340.471 1.656 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339581259 445150822 /nfs/dbraw/zinc/15/08/22/445150822.db2.gz BGLIMKFLPBPBIA-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP COC(=O)[C@@H](Cc1c[nH]cn1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000345035075 445157674 /nfs/dbraw/zinc/15/76/74/445157674.db2.gz OOXNJWTXNNWLII-CZUORRHYSA-N 2 0 344.415 1.131 20 0 EDADRP CC(C)C[C@@H]([NH2+][C@@H]1CCCc2c1cnn2C)C(=O)NCC[NH+](C)C ZINC000347207870 445234319 /nfs/dbraw/zinc/23/43/19/445234319.db2.gz RYXUSGDTBHUIQE-HZPDHXFCSA-N 2 0 335.496 1.480 20 0 EDADRP Cc1cc(C)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000348316183 445253707 /nfs/dbraw/zinc/25/37/07/445253707.db2.gz DKNFXVHRMJMFCA-UHFFFAOYSA-N 2 0 341.459 1.969 20 0 EDADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000351753139 445308499 /nfs/dbraw/zinc/30/84/99/445308499.db2.gz DJORTLLCRHCIAF-ZNMIVQPWSA-N 2 0 340.512 1.068 20 0 EDADRP CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348534262 445317387 /nfs/dbraw/zinc/31/73/87/445317387.db2.gz PIMWFFAFZPLXOL-CVEARBPZSA-N 2 0 325.522 1.993 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343645052 445279076 /nfs/dbraw/zinc/27/90/76/445279076.db2.gz RJMXJINQOWIGPT-VQIMIIECSA-N 2 0 326.444 1.640 20 0 EDADRP CCCN1Cc2cccc(NC(=O)CCNC(=O)[C@H]3CCC[NH2+]3)c2C1 ZINC000354700554 445344793 /nfs/dbraw/zinc/34/47/93/445344793.db2.gz DCWHIIFQOSYVIH-QGZVFWFLSA-N 2 0 344.459 1.609 20 0 EDADRP C[C@@H](CS(C)(=O)=O)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000362486121 445407188 /nfs/dbraw/zinc/40/71/88/445407188.db2.gz JXHMBPHYCLARPF-INIZCTEOSA-N 2 0 338.517 1.964 20 0 EDADRP CC[C@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000362497566 445412277 /nfs/dbraw/zinc/41/22/77/445412277.db2.gz LZBHNVCYYSBVOY-ROUUACIJSA-N 2 0 346.475 1.668 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000359735039 445398847 /nfs/dbraw/zinc/39/88/47/445398847.db2.gz ZXTGVJMRRKIRAP-HOCLYGCPSA-N 2 0 349.479 1.114 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1[NH+](C)C ZINC000362653585 445479906 /nfs/dbraw/zinc/47/99/06/445479906.db2.gz BQWCYWSXXMQYKQ-CRAIPNDOSA-N 2 0 348.491 1.719 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857846 445463069 /nfs/dbraw/zinc/46/30/69/445463069.db2.gz PIEHZQKXPZYGON-HUUCEWRRSA-N 2 0 336.480 1.561 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000359859473 445463968 /nfs/dbraw/zinc/46/39/68/445463968.db2.gz RXYBXJMQHBLLEY-UHFFFAOYSA-N 2 0 345.535 1.662 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NCCCC[NH+]2CCOCC2)CCCSC1 ZINC000362729104 445521969 /nfs/dbraw/zinc/52/19/69/445521969.db2.gz WWMARVKJXXSLNK-INIZCTEOSA-N 2 0 329.510 1.042 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000357279578 445522743 /nfs/dbraw/zinc/52/27/43/445522743.db2.gz YYZJBVSSPXSZER-NVXWUHKLSA-N 2 0 336.480 1.291 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000355923229 445531982 /nfs/dbraw/zinc/53/19/82/445531982.db2.gz OTPWAJWYHCSJJD-UHFFFAOYSA-N 2 0 342.528 1.857 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000359939836 445497943 /nfs/dbraw/zinc/49/79/43/445497943.db2.gz OMEZBZPXAFQKLB-ZACQAIPSSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)C1C[NH2+]C1 ZINC000357243333 445503282 /nfs/dbraw/zinc/50/32/82/445503282.db2.gz NYIOIALWVBETOL-KGLIPLIRSA-N 2 0 348.466 1.610 20 0 EDADRP CN(C)Cc1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000355853499 445506069 /nfs/dbraw/zinc/50/60/69/445506069.db2.gz FYHJLAZSTKXICZ-UHFFFAOYSA-N 2 0 334.395 1.867 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000362796172 445553808 /nfs/dbraw/zinc/55/38/08/445553808.db2.gz SVDMSRYGCIDWMU-OWCLPIDISA-N 2 0 333.480 1.800 20 0 EDADRP CN1CCC(CNC(=O)[C@]2(C)CCCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000357811050 445584380 /nfs/dbraw/zinc/58/43/80/445584380.db2.gz DESNGKDJKLTRHQ-SFHVURJKSA-N 2 0 336.524 1.585 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cccc(NS(C)(=O)=O)c1 ZINC000360047794 445545115 /nfs/dbraw/zinc/54/51/15/445545115.db2.gz ZCJPVCAYHOTEIY-AWEZNQCLSA-N 2 0 343.493 1.677 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC000360211924 445631083 /nfs/dbraw/zinc/63/10/83/445631083.db2.gz HCXJYCQCIOYSHU-JKSUJKDBSA-N 2 0 339.480 1.982 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000358531469 445637099 /nfs/dbraw/zinc/63/70/99/445637099.db2.gz SPJMXHYSOMXFEI-PVAVHDDUSA-N 2 0 333.480 1.666 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000362885748 445595690 /nfs/dbraw/zinc/59/56/90/445595690.db2.gz RRHIOOVSSIMTGJ-UHFFFAOYSA-N 2 0 335.496 1.687 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000356236390 445691691 /nfs/dbraw/zinc/69/16/91/445691691.db2.gz NYFKEYLBPMSTER-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@@H]1CCCN(c2cc(N3CCC([N@H+](C)CCO)CC3)ncn2)C1 ZINC000349870795 445705273 /nfs/dbraw/zinc/70/52/73/445705273.db2.gz WWOBVDKOHKISRN-OAHLLOKOSA-N 2 0 333.480 1.606 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1)C(C)C ZINC000360430471 445707354 /nfs/dbraw/zinc/70/73/54/445707354.db2.gz NSWTZASKEFCLOA-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000353734692 445731116 /nfs/dbraw/zinc/73/11/16/445731116.db2.gz HDWZJYFUYMIKAK-ZWKOPEQDSA-N 2 0 333.329 1.509 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000358710602 445734105 /nfs/dbraw/zinc/73/41/05/445734105.db2.gz SSQNDWBIVWIHJY-WMLDXEAASA-N 2 0 338.452 1.028 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)C2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000353752363 445738687 /nfs/dbraw/zinc/73/86/87/445738687.db2.gz GEQFBHPDVWLGLP-FUHWJXTLSA-N 2 0 345.487 1.911 20 0 EDADRP CC(C)C[N@@H+]1CCCN(C(=O)NCCN2CCOCC2(C)C)CC1 ZINC000363249907 445739973 /nfs/dbraw/zinc/73/99/73/445739973.db2.gz GKYPDYGNNMFOBK-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)[N@H+](C)C1CC1 ZINC000363279051 445750257 /nfs/dbraw/zinc/75/02/57/445750257.db2.gz VJWRSHPKYVVYON-HNNXBMFYSA-N 2 0 333.480 1.582 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000350024463 445751283 /nfs/dbraw/zinc/75/12/83/445751283.db2.gz AKQGXZICVHUYLB-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363472497 445817724 /nfs/dbraw/zinc/81/77/24/445817724.db2.gz QXHZEWBPMANVDL-QGZVFWFLSA-N 2 0 345.553 1.159 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863235 445818129 /nfs/dbraw/zinc/81/81/29/445818129.db2.gz VLULMCNBTLNTBM-WMLDXEAASA-N 2 0 336.455 1.010 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000358819789 445791267 /nfs/dbraw/zinc/79/12/67/445791267.db2.gz XSOMQRHNLCRHMU-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP CN1CCN(c2ncc(C[NH+]3CCC(C[NH+](C)C)CC3)cn2)CC1 ZINC000350225418 445796997 /nfs/dbraw/zinc/79/69/97/445796997.db2.gz YMSQOGKBGBMAOG-UHFFFAOYSA-N 2 0 332.496 1.002 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358859649 445815702 /nfs/dbraw/zinc/81/57/02/445815702.db2.gz SYJGFKXGNILTLP-IAGOWNOFSA-N 2 0 337.439 1.341 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000353985609 445840546 /nfs/dbraw/zinc/84/05/46/445840546.db2.gz DGKPNVQZVWKJEX-JJIJKTDDSA-N 2 0 336.524 1.388 20 0 EDADRP [NH3+]Cc1cc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)ccn1 ZINC000361621490 445851498 /nfs/dbraw/zinc/85/14/98/445851498.db2.gz MLSKMLQBERJYAQ-UHFFFAOYSA-N 2 0 332.448 1.257 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NCC1(N2CCOCC2)CCCC1 ZINC000361719489 445896878 /nfs/dbraw/zinc/89/68/78/445896878.db2.gz UHVXXDQDZXJAEJ-KRWDZBQOSA-N 2 0 331.460 1.318 20 0 EDADRP COCC[C@@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000361729829 445902362 /nfs/dbraw/zinc/90/23/62/445902362.db2.gz UZLXOUSKAANHDC-AEFFLSMTSA-N 2 0 325.497 1.631 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000351010618 445969169 /nfs/dbraw/zinc/96/91/69/445969169.db2.gz RGRZYRBLXHKXPL-JYJNAYRXSA-N 2 0 340.512 1.022 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NC[C@H](C)[NH+](CC)CC)C1 ZINC000351028570 445975249 /nfs/dbraw/zinc/97/52/49/445975249.db2.gz WDTRMYDSKQRPLO-HOTGVXAUSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000359147708 445982076 /nfs/dbraw/zinc/98/20/76/445982076.db2.gz XJTOVVZVSXIMFO-MDZRGWNJSA-N 2 0 345.487 1.395 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CCNC(=O)N(C)C)CC1 ZINC000354194728 445987735 /nfs/dbraw/zinc/98/77/35/445987735.db2.gz QMLIRWMWHRWAMM-UHFFFAOYSA-N 2 0 347.507 1.532 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000354153699 445951612 /nfs/dbraw/zinc/95/16/12/445951612.db2.gz MCNCBIMDRIXHSJ-MSOLQXFVSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@H+](CCCN1C(=O)NC(C)(C)C1=O)C[C@@H]1CCn2ccnc2C1 ZINC000365997992 445951914 /nfs/dbraw/zinc/95/19/14/445951914.db2.gz DOPCXBZDNKXAPA-CYBMUJFWSA-N 2 0 333.436 1.098 20 0 EDADRP C[C@@H]1CN(CCNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CCO1 ZINC000583211657 326028286 /nfs/dbraw/zinc/02/82/86/326028286.db2.gz CQFGUIWEKBLOMQ-CJNGLKHVSA-N 2 0 339.867 1.780 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000583748047 326132117 /nfs/dbraw/zinc/13/21/17/326132117.db2.gz OKEZNHCEYGPORS-QAPCUYQASA-N 2 0 332.444 1.703 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CCNS(=O)(=O)c1ccccc1)CC[NH2+]CC2 ZINC000583866264 326155200 /nfs/dbraw/zinc/15/52/00/326155200.db2.gz KZQBFLDVCZQQBY-OAHLLOKOSA-N 2 0 337.489 1.429 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000584058168 326192434 /nfs/dbraw/zinc/19/24/34/326192434.db2.gz LDOTWYWYZLWPHE-INIZCTEOSA-N 2 0 342.528 1.763 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000584171872 326213860 /nfs/dbraw/zinc/21/38/60/326213860.db2.gz JTBYSDLGENCMHF-MRXNPFEDSA-N 2 0 342.447 1.413 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000351450023 446069020 /nfs/dbraw/zinc/06/90/20/446069020.db2.gz IFEJWXRQBCDCLZ-INIZCTEOSA-N 2 0 344.459 1.229 20 0 EDADRP C[C@@H]1CSCCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365202943 446076898 /nfs/dbraw/zinc/07/68/98/446076898.db2.gz MJLBZZWJPQRAMQ-GJZGRUSLSA-N 2 0 340.537 1.549 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000359249076 446083514 /nfs/dbraw/zinc/08/35/14/446083514.db2.gz HYJNNAZOFVEUGO-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000359262958 446097727 /nfs/dbraw/zinc/09/77/27/446097727.db2.gz HNZLOOXWMUOEBM-UHFFFAOYSA-N 2 0 346.519 1.604 20 0 EDADRP CSC1(CNC(=O)C2CC[NH+](C3CC3)CC2)CC[NH+](C)CC1 ZINC000359267670 446104517 /nfs/dbraw/zinc/10/45/17/446104517.db2.gz XBMKHKJSMCDTGL-UHFFFAOYSA-N 2 0 325.522 1.804 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359288228 446123967 /nfs/dbraw/zinc/12/39/67/446123967.db2.gz KWWUAOPAGQYRML-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000366347848 446167400 /nfs/dbraw/zinc/16/74/00/446167400.db2.gz PIWLWXLIUMTINW-UHFFFAOYSA-N 2 0 347.507 1.168 20 0 EDADRP CCC[NH+]1CCN(C2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000366320014 446148162 /nfs/dbraw/zinc/14/81/62/446148162.db2.gz DHFGZLHVIRHIHU-UHFFFAOYSA-N 2 0 338.540 1.914 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000366331356 446157597 /nfs/dbraw/zinc/15/75/97/446157597.db2.gz GVZISPZSMZTIBQ-APWZRJJASA-N 2 0 349.475 1.857 20 0 EDADRP C[N@H+](CCCOc1cccc(Cl)c1)CCC(=O)N1CC[NH2+]CC1 ZINC000351620355 446214731 /nfs/dbraw/zinc/21/47/31/446214731.db2.gz PEFCEAQOLKGMTG-UHFFFAOYSA-N 2 0 339.867 1.863 20 0 EDADRP CCS(=O)(=O)NCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000362107948 446218254 /nfs/dbraw/zinc/21/82/54/446218254.db2.gz ZDPQCQXDLFKBKO-CQSZACIVSA-N 2 0 329.510 1.122 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCCn3ccnc32)C[C@@H](C)O1 ZINC000366492570 446236227 /nfs/dbraw/zinc/23/62/27/446236227.db2.gz IAHAHZALHLDEOL-OAGGEKHMSA-N 2 0 349.479 1.559 20 0 EDADRP [NH3+]CCc1nc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cs1 ZINC000373518193 446246446 /nfs/dbraw/zinc/24/64/46/446246446.db2.gz XRFGHUYCDGPBHK-KBPBESRZSA-N 2 0 348.447 1.659 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)C1CCCC1 ZINC000365538974 446246574 /nfs/dbraw/zinc/24/65/74/446246574.db2.gz OFFPHSKXIIWPBT-RYQLBKOJSA-N 2 0 334.508 1.987 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000366654430 446295682 /nfs/dbraw/zinc/29/56/82/446295682.db2.gz OPNUQTYEJWZYCE-QGZVFWFLSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000362219903 446269758 /nfs/dbraw/zinc/26/97/58/446269758.db2.gz LWKBHYKKTHEOPW-KURKYZTESA-N 2 0 325.497 1.188 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[C@H]1SC ZINC000362301341 446311360 /nfs/dbraw/zinc/31/13/60/446311360.db2.gz ZIDXAZZBEOONHA-XLNGHYISSA-N 2 0 328.522 1.986 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2CCSC2)CCN1C1CC[NH+](C)CC1 ZINC000365753614 446329274 /nfs/dbraw/zinc/32/92/74/446329274.db2.gz NQXDXEWGPMQKLN-GJZGRUSLSA-N 2 0 340.537 1.549 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000370577468 446339548 /nfs/dbraw/zinc/33/95/48/446339548.db2.gz HCYPFTKCVSZDPF-OWCLPIDISA-N 2 0 335.448 1.488 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417332381 446345144 /nfs/dbraw/zinc/34/51/44/446345144.db2.gz QYSPRWNSQAQSPT-LVQVYYBASA-N 2 0 326.485 1.255 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417509279 446357415 /nfs/dbraw/zinc/35/74/15/446357415.db2.gz VEAAQXKHKVWTOL-GOSISDBHSA-N 2 0 332.492 1.850 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417506317 446357540 /nfs/dbraw/zinc/35/75/40/446357540.db2.gz LSCQQAQPYDFLFQ-KRWDZBQOSA-N 2 0 346.475 1.195 20 0 EDADRP C[N@H+](CCNC(=O)NCCC[NH2+]Cc1cccnc1)C1CCCC1 ZINC000417511164 446357883 /nfs/dbraw/zinc/35/78/83/446357883.db2.gz VLFORABHNAZMSU-UHFFFAOYSA-N 2 0 333.480 1.735 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417547757 446364120 /nfs/dbraw/zinc/36/41/20/446364120.db2.gz UTTHYRVEQKCSQK-MRXNPFEDSA-N 2 0 339.528 1.234 20 0 EDADRP CCCN(C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000417759238 446371561 /nfs/dbraw/zinc/37/15/61/446371561.db2.gz WBPXORNFHOCVAI-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP CC1(C)C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC000417916958 446384229 /nfs/dbraw/zinc/38/42/29/446384229.db2.gz VSISVVYUURDDMZ-MRXNPFEDSA-N 2 0 333.480 1.536 20 0 EDADRP CN(C(=O)C[C@@H](O)CC(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365894708 446392461 /nfs/dbraw/zinc/39/24/61/446392461.db2.gz KBUJDNOYSFIPND-IAGOWNOFSA-N 2 0 339.524 1.801 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000417951418 446397172 /nfs/dbraw/zinc/39/71/72/446397172.db2.gz NEEAFIJWVFRGFY-IUODEOHRSA-N 2 0 342.846 1.991 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000417369400 446349354 /nfs/dbraw/zinc/34/93/54/446349354.db2.gz SBXNBBPXULCKLA-WBVHZDCISA-N 2 0 348.491 1.753 20 0 EDADRP COc1ccc([C@H](N[C@@H]2CCC[N@H+](CCCO)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147753 446440407 /nfs/dbraw/zinc/44/04/07/446440407.db2.gz SSBXDLGRBJOOSD-RLLQIKCJSA-N 2 0 347.503 1.925 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000418100232 446440763 /nfs/dbraw/zinc/44/07/63/446440763.db2.gz DFMXTPDFVSYRNT-OTWHNJEPSA-N 2 0 342.487 1.759 20 0 EDADRP O=C([C@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281261 446448740 /nfs/dbraw/zinc/44/87/40/446448740.db2.gz ABYXQOHIQHSNDJ-CABCVRRESA-N 2 0 329.435 1.956 20 0 EDADRP CN(CC[NH3+])C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417984931 446408321 /nfs/dbraw/zinc/40/83/21/446408321.db2.gz MQQQBNWPRPPHNF-UHFFFAOYSA-N 2 0 334.464 1.304 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418004009 446412382 /nfs/dbraw/zinc/41/23/82/446412382.db2.gz ZIATVGRIEKRCRX-QAPCUYQASA-N 2 0 346.475 1.052 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000418189695 446453926 /nfs/dbraw/zinc/45/39/26/446453926.db2.gz IGLVUSAAKNITEY-HNNXBMFYSA-N 2 0 335.452 1.045 20 0 EDADRP COc1ccc(-c2noc(CN3CC[C@H]([NH3+])[C@H](C)C3)n2)c(OC)c1 ZINC000420292751 446456220 /nfs/dbraw/zinc/45/62/20/446456220.db2.gz PXGIOTWSFOPIID-RISCZKNCSA-N 2 0 332.404 1.923 20 0 EDADRP COC(=O)C1CCN(C(=O)C[N@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000420306231 446469416 /nfs/dbraw/zinc/46/94/16/446469416.db2.gz ADCULCVYSKESAN-UHFFFAOYSA-N 2 0 339.480 1.239 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423265972 446469438 /nfs/dbraw/zinc/46/94/38/446469438.db2.gz BMWLMGBVXCXQJI-DUVNUKRYSA-N 2 0 325.478 1.763 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423277670 446471202 /nfs/dbraw/zinc/47/12/02/446471202.db2.gz PSEGUHIVJZXFJN-DUVNUKRYSA-N 2 0 325.478 1.715 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423273574 446471304 /nfs/dbraw/zinc/47/13/04/446471304.db2.gz LDOFDUACXHIWLK-GUYCJALGSA-N 2 0 337.489 1.691 20 0 EDADRP CCc1ccc([C@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+](C)C)cc1 ZINC000423313224 446484543 /nfs/dbraw/zinc/48/45/43/446484543.db2.gz WLZDNLQJZRVTSN-KRWDZBQOSA-N 2 0 344.463 1.222 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423321550 446487235 /nfs/dbraw/zinc/48/72/35/446487235.db2.gz GKMYIHWAPAIXQG-GJZGRUSLSA-N 2 0 333.480 1.491 20 0 EDADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324809 446490902 /nfs/dbraw/zinc/49/09/02/446490902.db2.gz HPUWJQIRHHUYOY-SPUZQDLCSA-N 2 0 337.508 1.994 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)[C@H](N)c1cscn1)N1CCOCC1 ZINC000423333322 446491532 /nfs/dbraw/zinc/49/15/32/446491532.db2.gz VVRMAECVERDYJN-HUUCEWRRSA-N 2 0 340.493 1.396 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000423368869 446505259 /nfs/dbraw/zinc/50/52/59/446505259.db2.gz DKSQIDKJCCNQFB-KRWDZBQOSA-N 2 0 347.459 1.569 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)NCCC[NH3+])CC2)C[C@H](C)O1 ZINC000418344124 446509263 /nfs/dbraw/zinc/50/92/63/446509263.db2.gz FZHHCUNROJKJTG-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341451 446513332 /nfs/dbraw/zinc/51/33/32/446513332.db2.gz OOFAKUGFVCFRFT-ROUUACIJSA-N 2 0 345.487 1.675 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329378 446499206 /nfs/dbraw/zinc/49/92/06/446499206.db2.gz GNPVBBJYQMFMLO-SOUVJXGZSA-N 2 0 345.443 1.716 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000418374911 446519366 /nfs/dbraw/zinc/51/93/66/446519366.db2.gz DDBKJXDBNAJYHS-XIRDDKMYSA-N 2 0 332.448 1.192 20 0 EDADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349099 446525351 /nfs/dbraw/zinc/52/53/51/446525351.db2.gz NSJPYDXCZNRPDA-RCCFBDPRSA-N 2 0 344.503 1.540 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)N[C@H](C[NH3+])C3CC3)CC2)C[C@@H](C)O1 ZINC000418398205 446528958 /nfs/dbraw/zinc/52/89/58/446528958.db2.gz KLHXMSDTULCBJS-CKEIUWERSA-N 2 0 338.496 1.255 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1CC ZINC000418416482 446537237 /nfs/dbraw/zinc/53/72/37/446537237.db2.gz UEWLCTJUKGBBMV-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418420277 446538256 /nfs/dbraw/zinc/53/82/56/446538256.db2.gz YZOWMLPTYAVLNX-OTBWCIGPSA-N 2 0 337.512 1.020 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418442970 446545494 /nfs/dbraw/zinc/54/54/94/446545494.db2.gz KNPAUJIYRIMDRV-NXHRZFHOSA-N 2 0 348.491 1.957 20 0 EDADRP CCOC(=O)CC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420366367 446546082 /nfs/dbraw/zinc/54/60/82/446546082.db2.gz UFBMUFMARWCHDJ-ROUUACIJSA-N 2 0 334.460 1.583 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000418463099 446553308 /nfs/dbraw/zinc/55/33/08/446553308.db2.gz KXBXFGRSPIKVOF-JKSUJKDBSA-N 2 0 328.501 1.646 20 0 EDADRP CCCCOCCNC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420398024 446571130 /nfs/dbraw/zinc/57/11/30/446571130.db2.gz YEMRUDOAIVBREC-IAGOWNOFSA-N 2 0 341.496 1.138 20 0 EDADRP O=C1N[C@@H]2C[N@H+](CCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397212 446572109 /nfs/dbraw/zinc/57/21/09/446572109.db2.gz FGVJIHWHCQJNMA-QZTJIDSGSA-N 2 0 328.460 1.449 20 0 EDADRP CCc1ccc([C@H](CO)[NH2+]CC(=O)NC2CC[NH+](CC)CC2)cc1 ZINC000411507867 446577654 /nfs/dbraw/zinc/57/76/54/446577654.db2.gz JECUUSKYRSSMPS-SFHVURJKSA-N 2 0 333.476 1.473 20 0 EDADRP C[C@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529364 446581522 /nfs/dbraw/zinc/58/15/22/446581522.db2.gz TXLSHLNHTNROOI-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418536775 446584417 /nfs/dbraw/zinc/58/44/17/446584417.db2.gz CFXJXPOJBKQPHA-PMPSAXMXSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000418683728 446646808 /nfs/dbraw/zinc/64/68/08/446646808.db2.gz APXIIMBVFUBGLD-MRXNPFEDSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418698544 446652975 /nfs/dbraw/zinc/65/29/75/446652975.db2.gz NBWUTFPIFHQPOU-ZOBUZTSGSA-N 2 0 333.480 1.813 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000368138045 446662382 /nfs/dbraw/zinc/66/23/82/446662382.db2.gz DOKJHDBJUIBKGG-SFHVURJKSA-N 2 0 342.487 1.306 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418632677 446623455 /nfs/dbraw/zinc/62/34/55/446623455.db2.gz WCWJKDKHXYFERJ-WBVHZDCISA-N 2 0 333.480 1.685 20 0 EDADRP CCCOc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420455963 446634336 /nfs/dbraw/zinc/63/43/36/446634336.db2.gz MTFUKDZFTYOGEZ-UHFFFAOYSA-N 2 0 329.466 1.164 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833975 446723053 /nfs/dbraw/zinc/72/30/53/446723053.db2.gz TXWIBUVWWIHMOZ-SQNIBIBYSA-N 2 0 345.443 1.078 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423844496 446727616 /nfs/dbraw/zinc/72/76/16/446727616.db2.gz NHOSVRWMDQUXOS-HNNXBMFYSA-N 2 0 344.463 1.267 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423844412 446727743 /nfs/dbraw/zinc/72/77/43/446727743.db2.gz JDXYUMLTPZOEAV-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000371272833 446732585 /nfs/dbraw/zinc/73/25/85/446732585.db2.gz HUKXHPCSMQOQJV-KSZLIROESA-N 2 0 331.460 1.694 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000423754978 446684217 /nfs/dbraw/zinc/68/42/17/446684217.db2.gz ZZUATWCXFAZECF-CQSZACIVSA-N 2 0 329.391 1.219 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896079 446750109 /nfs/dbraw/zinc/75/01/09/446750109.db2.gz GFGWMJOZBJKTCX-MKXGPGLRSA-N 2 0 343.471 1.222 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2)CC1 ZINC000423965230 446799625 /nfs/dbraw/zinc/79/96/25/446799625.db2.gz XYVAXWBWJHZYKL-QGZVFWFLSA-N 2 0 332.492 1.932 20 0 EDADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@H](C)[NH3+] ZINC000423930678 446782182 /nfs/dbraw/zinc/78/21/82/446782182.db2.gz LGRBZXBVHRCMCR-UOVPBQLFSA-N 2 0 349.523 1.881 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000375424536 446789389 /nfs/dbraw/zinc/78/93/89/446789389.db2.gz DWPHROLRULTYOQ-QLFBSQMISA-N 2 0 333.480 1.357 20 0 EDADRP CN1CC[NH+]([C@H]2CCCCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC000376829936 446741931 /nfs/dbraw/zinc/74/19/31/446741931.db2.gz AVUJOXGSKFKZJJ-SFHVURJKSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000418941481 446814883 /nfs/dbraw/zinc/81/48/83/446814883.db2.gz IDVVTZOFEPOPRT-OIISXLGYSA-N 2 0 346.475 1.009 20 0 EDADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)no1 ZINC000424018462 446824762 /nfs/dbraw/zinc/82/47/62/446824762.db2.gz IVCLXXPDSRZZEC-UHFFFAOYSA-N 2 0 328.416 1.706 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000368401950 446839743 /nfs/dbraw/zinc/83/97/43/446839743.db2.gz HQBURXCSHFZESM-HUUCEWRRSA-N 2 0 349.523 1.916 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000419021182 446871544 /nfs/dbraw/zinc/87/15/44/446871544.db2.gz SRRJPDGBIYFYIM-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454539991 446906768 /nfs/dbraw/zinc/90/67/68/446906768.db2.gz JKJXCMLRZYUUQW-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000419115240 446933659 /nfs/dbraw/zinc/93/36/59/446933659.db2.gz SSYCKMYYBHOXEK-WBVHZDCISA-N 2 0 348.491 1.113 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000419216782 447014223 /nfs/dbraw/zinc/01/42/23/447014223.db2.gz PVIGTYHLGFTOCW-KRWDZBQOSA-N 2 0 346.475 1.011 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@]1(F)CC[NH2+]C1)[NH+]1CCCC1 ZINC000372121901 447016154 /nfs/dbraw/zinc/01/61/54/447016154.db2.gz RBXLMJLXABCUJA-YJBOKZPZSA-N 2 0 335.423 1.650 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000419222461 447017412 /nfs/dbraw/zinc/01/74/12/447017412.db2.gz XCWUDHVJLZWRHO-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419161429 446977516 /nfs/dbraw/zinc/97/75/16/446977516.db2.gz ISYPTQAQSZKMGR-MRXNPFEDSA-N 2 0 348.491 1.113 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000377196533 446985613 /nfs/dbraw/zinc/98/56/13/446985613.db2.gz JIRLUNCZXANDPZ-ONIAQPFYSA-N 2 0 334.508 1.192 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000442880343 446988782 /nfs/dbraw/zinc/98/87/82/446988782.db2.gz YKHXRFANNYGJBS-YESZJQIVSA-N 2 0 339.524 1.970 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000368703612 447052471 /nfs/dbraw/zinc/05/24/71/447052471.db2.gz IWHQMPOIWJTPIR-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000372464512 447066960 /nfs/dbraw/zinc/06/69/60/447066960.db2.gz QOEXJELXTYZTPB-GMKVZWAMSA-N 2 0 337.508 1.756 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000419243481 447027646 /nfs/dbraw/zinc/02/76/46/447027646.db2.gz UHGDWYOATIOYBO-GDBMZVCRSA-N 2 0 338.496 1.001 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1(C)C ZINC000375955747 447173255 /nfs/dbraw/zinc/17/32/55/447173255.db2.gz YYRRGODWFROJIY-FRQCXROJSA-N 2 0 331.460 1.522 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@]3(CCOC3)OC(C)(C)C2)CC1 ZINC000375962742 447176453 /nfs/dbraw/zinc/17/64/53/447176453.db2.gz OTZJFNFOBVQZNJ-LJQANCHMSA-N 2 0 339.524 1.672 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425507181 447201568 /nfs/dbraw/zinc/20/15/68/447201568.db2.gz GQCQOZLQBKNPCP-YSIASYRMSA-N 2 0 329.488 1.648 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000419428703 447169111 /nfs/dbraw/zinc/16/91/11/447169111.db2.gz RDZMHAXAENYFJO-ZACQAIPSSA-N 2 0 340.512 1.205 20 0 EDADRP CC[C@H](C(=O)N1[C@H](C)CN(C(=O)[C@H](CC)[NH+](C)C)C[C@@H]1C)[NH+](C)C ZINC000413721467 447228744 /nfs/dbraw/zinc/22/87/44/447228744.db2.gz JNGQFVVEHHPKDZ-XUWVNRHRSA-N 2 0 340.512 1.115 20 0 EDADRP CC[C@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)[NH+](C)C ZINC000413771129 447238481 /nfs/dbraw/zinc/23/84/81/447238481.db2.gz NWMNUAIDNIGZGP-ILXRZTDVSA-N 2 0 342.528 1.314 20 0 EDADRP COCCOC[C@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000450323554 447454388 /nfs/dbraw/zinc/45/43/88/447454388.db2.gz ISIXKCCSNZDCTP-ZWKOTPCHSA-N 2 0 328.497 1.454 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000458719841 447461123 /nfs/dbraw/zinc/46/11/23/447461123.db2.gz DRBRHWAUXNXVOL-MRXNPFEDSA-N 2 0 339.528 1.137 20 0 EDADRP COC1(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000388451760 447479138 /nfs/dbraw/zinc/47/91/38/447479138.db2.gz GHVCUICHEKSXEH-SFHVURJKSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495371740 447496112 /nfs/dbraw/zinc/49/61/12/447496112.db2.gz JLNPXPBSNULKBH-KBXCAEBGSA-N 2 0 341.496 1.678 20 0 EDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000415625466 447512474 /nfs/dbraw/zinc/51/24/74/447512474.db2.gz PTBFLIYCQCMYGE-QGZVFWFLSA-N 2 0 336.484 2.035 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427305193 447578485 /nfs/dbraw/zinc/57/84/85/447578485.db2.gz RBZHNJPARCEPKS-HOCLYGCPSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416212573 447540700 /nfs/dbraw/zinc/54/07/00/447540700.db2.gz DHQIJPPVJQFOGN-QGZVFWFLSA-N 2 0 345.487 1.350 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000420082764 447590393 /nfs/dbraw/zinc/59/03/93/447590393.db2.gz REEIHLCGGMTVIO-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192200 447555615 /nfs/dbraw/zinc/55/56/15/447555615.db2.gz ZULCNDDGHVFCLA-NVXWUHKLSA-N 2 0 331.460 1.392 20 0 EDADRP CCO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000459153679 447597825 /nfs/dbraw/zinc/59/78/25/447597825.db2.gz JIROHQXBYAWRCK-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000457567876 447599715 /nfs/dbraw/zinc/59/97/15/447599715.db2.gz FIFGEAJIHYDWHO-BRWVUGGUSA-N 2 0 340.512 1.610 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000420105874 447605251 /nfs/dbraw/zinc/60/52/51/447605251.db2.gz VHUSWWXZBKTSAX-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC[C@H]1CCC[NH+](C)C1 ZINC000459285687 447629667 /nfs/dbraw/zinc/62/96/67/447629667.db2.gz FFIRNTLIEVYVEY-QGZVFWFLSA-N 2 0 341.544 1.243 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000416838085 447694906 /nfs/dbraw/zinc/69/49/06/447694906.db2.gz ISNBHKKMNAMUJZ-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000416852953 447696476 /nfs/dbraw/zinc/69/64/76/447696476.db2.gz SUKGXIKJQUPTPS-KBPBESRZSA-N 2 0 344.381 1.725 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC1CC[NH+](CC2CC2)CC1 ZINC000457870339 447655712 /nfs/dbraw/zinc/65/57/12/447655712.db2.gz ZGRNRVCZNBYCRW-QGZVFWFLSA-N 2 0 338.496 1.007 20 0 EDADRP CN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000495962053 447678465 /nfs/dbraw/zinc/67/84/65/447678465.db2.gz OFNRPIKDDHYBAV-SJLPKXTDSA-N 2 0 334.464 1.029 20 0 EDADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634401 447680807 /nfs/dbraw/zinc/68/08/07/447680807.db2.gz JOKLVJDGTVIWLL-IPYPFGDCSA-N 2 0 332.448 1.419 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422754138 447739870 /nfs/dbraw/zinc/73/98/70/447739870.db2.gz ACHJRJIOLSPPIZ-SXLOBPIMSA-N 3 0 346.519 1.146 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cn1ccnn1 ZINC000459695438 447742377 /nfs/dbraw/zinc/74/23/77/447742377.db2.gz KRCCFYNUYTZDGF-AKHDSKFASA-N 2 0 341.459 1.139 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000429407414 447746291 /nfs/dbraw/zinc/74/62/91/447746291.db2.gz ZDAJWHPAYDSVMT-INIZCTEOSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792111 447751450 /nfs/dbraw/zinc/75/14/50/447751450.db2.gz QOWNDCLZBASGMJ-KKXDTOCCSA-N 2 0 332.423 1.896 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](CO)CC(C)(C)C ZINC000451780467 447752847 /nfs/dbraw/zinc/75/28/47/447752847.db2.gz NFULQQBDQDNYNL-INIZCTEOSA-N 2 0 325.497 1.458 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000422847313 447768295 /nfs/dbraw/zinc/76/82/95/447768295.db2.gz RCUSYFZQTAYGQL-UHFFFAOYSA-N 3 0 331.508 1.701 20 0 EDADRP c1cc(N2CCN(CCC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc[nH+]1 ZINC000422851247 447769485 /nfs/dbraw/zinc/76/94/85/447769485.db2.gz WQVKDGIMHCACCY-JWTNVVGKSA-N 3 0 329.492 1.466 20 0 EDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430564154 447779812 /nfs/dbraw/zinc/77/98/12/447779812.db2.gz AUFUUEZFZIFEPM-KRWDZBQOSA-N 2 0 347.507 1.426 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H](C)[C@H]2CCCC[NH2+]2)CC1 ZINC000422964459 447783118 /nfs/dbraw/zinc/78/31/18/447783118.db2.gz LSNZPIOPRDNJPN-GDBMZVCRSA-N 2 0 331.526 1.557 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000430791632 447785965 /nfs/dbraw/zinc/78/59/65/447785965.db2.gz NWXNUMDENKGXPA-KRWDZBQOSA-N 2 0 349.450 1.927 20 0 EDADRP O[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)COCC1CC1 ZINC000422977987 447786052 /nfs/dbraw/zinc/78/60/52/447786052.db2.gz YEVPFNRQINQEBG-SUMDDJOVSA-N 2 0 332.444 1.619 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985538 447787443 /nfs/dbraw/zinc/78/74/43/447787443.db2.gz FFFLQKOMOLIPMT-BBRMVZONSA-N 2 0 338.423 1.770 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000462523325 447799247 /nfs/dbraw/zinc/79/92/47/447799247.db2.gz FKYNZEZKTFQWTJ-OAGGEKHMSA-N 2 0 328.501 1.202 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423113546 447808056 /nfs/dbraw/zinc/80/80/56/447808056.db2.gz YLWVSJSSOIYFHU-WCQYABFASA-N 2 0 333.354 1.879 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000488651507 447849598 /nfs/dbraw/zinc/84/95/98/447849598.db2.gz RYGGVZDOZZXNHT-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000489165391 447851937 /nfs/dbraw/zinc/85/19/37/447851937.db2.gz DZPAFPPBYWQBBE-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000530353668 447867640 /nfs/dbraw/zinc/86/76/40/447867640.db2.gz QEWGBMMMUBSPAM-UHFFFAOYSA-N 2 0 328.501 1.326 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496758897 447887303 /nfs/dbraw/zinc/88/73/03/447887303.db2.gz MYAKKEOENZHABX-HNNXBMFYSA-N 2 0 329.485 1.536 20 0 EDADRP CCN1CCC([N@H+](C)C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496776849 447903944 /nfs/dbraw/zinc/90/39/44/447903944.db2.gz PUKLCEIGVZNKFT-HNNXBMFYSA-N 2 0 329.485 1.630 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000523810775 447909966 /nfs/dbraw/zinc/90/99/66/447909966.db2.gz CTHSQSSUDGCNML-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)N1CC(C)C1 ZINC000552844474 447959845 /nfs/dbraw/zinc/95/98/45/447959845.db2.gz XXYOREBRHRBYEN-AEFFLSMTSA-N 2 0 331.460 1.344 20 0 EDADRP CN(C)c1ncc(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000576061315 447963202 /nfs/dbraw/zinc/96/32/02/447963202.db2.gz UAUUITHWTHVSOM-MRXNPFEDSA-N 2 0 341.459 1.624 20 0 EDADRP COc1ccc([C@@H]2CCCC[C@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1F ZINC000570321008 447985741 /nfs/dbraw/zinc/98/57/41/447985741.db2.gz XKPWDSPAZPFKBJ-DOTOQJQBSA-N 2 0 349.450 1.882 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000570382554 447997823 /nfs/dbraw/zinc/99/78/23/447997823.db2.gz PAWKPXRSRAXVEA-QAPCUYQASA-N 2 0 328.460 1.868 20 0 EDADRP C[N@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1CCCC1 ZINC000496887384 448003378 /nfs/dbraw/zinc/00/33/78/448003378.db2.gz XLUGVGZWYWMWEL-UHFFFAOYSA-N 2 0 327.473 1.499 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000570408491 448007517 /nfs/dbraw/zinc/00/75/17/448007517.db2.gz RJAQSHHADUWQGM-OAHLLOKOSA-N 2 0 348.495 2.098 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570502649 448027736 /nfs/dbraw/zinc/02/77/36/448027736.db2.gz IBZOJDGNKLDGNH-WMZOPIPTSA-N 2 0 346.475 1.392 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000497276873 448030654 /nfs/dbraw/zinc/03/06/54/448030654.db2.gz OORJOJOZGDEFCD-FUHWJXTLSA-N 2 0 336.480 1.275 20 0 EDADRP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497283130 448036921 /nfs/dbraw/zinc/03/69/21/448036921.db2.gz MRDVTZMBWQEUJU-JQHSSLGASA-N 2 0 349.475 1.985 20 0 EDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289956 448044225 /nfs/dbraw/zinc/04/42/25/448044225.db2.gz QSOACUMONCCAJG-BFYDXBDKSA-N 2 0 335.448 1.597 20 0 EDADRP CC(C)C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+](C)C ZINC000497305909 448059553 /nfs/dbraw/zinc/05/95/53/448059553.db2.gz MLFZZGSNOQTKIL-CYBMUJFWSA-N 2 0 329.489 1.601 20 0 EDADRP CC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502398987 448101599 /nfs/dbraw/zinc/10/15/99/448101599.db2.gz SDNGYQLGSBYCOQ-YQQAZPJKSA-N 2 0 335.496 1.602 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583513 448101833 /nfs/dbraw/zinc/10/18/33/448101833.db2.gz BBSVLSLJHDMVPI-YTQUADARSA-N 2 0 349.519 1.963 20 0 EDADRP c1cc2c(cc1CN1CC[NH+](CC3CC[NH2+]CC3)CC1)OCCO2 ZINC000576638770 448102952 /nfs/dbraw/zinc/10/29/52/448102952.db2.gz BMZMRJPHDRJMSL-UHFFFAOYSA-N 2 0 331.460 1.575 20 0 EDADRP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CCCN(CCCO)C2)C1 ZINC000497046906 448154141 /nfs/dbraw/zinc/15/41/41/448154141.db2.gz VIEDCYYDLXMIID-NFOMZHRRSA-N 2 0 327.469 1.479 20 0 EDADRP CC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CC)CC3)nc(C)n2)CC1 ZINC000531679882 448128295 /nfs/dbraw/zinc/12/82/95/448128295.db2.gz QCWAMSRIZIZDIG-UHFFFAOYSA-N 2 0 346.523 1.849 20 0 EDADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(CC[NH+](C)C)cc2)no1 ZINC000576747030 448130030 /nfs/dbraw/zinc/13/00/30/448130030.db2.gz OEFTXRHMLAXUPW-UHFFFAOYSA-N 2 0 330.432 2.206 20 0 EDADRP CC[C@H](C(=O)N[C@H](C)[C@H]1CN(Cc2ccccc2)CCO1)[NH+](C)C ZINC000531707946 448130005 /nfs/dbraw/zinc/13/00/05/448130005.db2.gz QTCVFDIKZCIOBR-KBAYOESNSA-N 2 0 333.476 1.732 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000531714375 448131296 /nfs/dbraw/zinc/13/12/96/448131296.db2.gz CGNZQYQWKZFKEQ-LZQZEXGQSA-N 2 0 344.503 1.424 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C1 ZINC000531809344 448150362 /nfs/dbraw/zinc/15/03/62/448150362.db2.gz HSCFWAYXRNYBAF-USXIJHARSA-N 2 0 338.496 1.125 20 0 EDADRP CC[C@H]1CN(CCNC(=O)NC[C@@H]2CCCn3ccnc32)CCO1 ZINC000577011571 448192268 /nfs/dbraw/zinc/19/22/68/448192268.db2.gz YQCVVBKABKMHGO-GJZGRUSLSA-N 2 0 335.452 1.171 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000514739493 448198024 /nfs/dbraw/zinc/19/80/24/448198024.db2.gz QZXPSVBLMQIXPU-MSOLQXFVSA-N 2 0 330.476 1.434 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000514783774 448201593 /nfs/dbraw/zinc/20/15/93/448201593.db2.gz ZHRKZSZRNRTFTM-RDJZCZTQSA-N 2 0 331.464 1.612 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000532296578 448228474 /nfs/dbraw/zinc/22/84/74/448228474.db2.gz HFKCAJNGAUXLME-UHFFFAOYSA-N 2 0 338.521 1.567 20 0 EDADRP COC[C@@H](NCC(=O)N1CC[NH2+]CC1)c1cccc(Cl)c1F ZINC000582414516 448230346 /nfs/dbraw/zinc/23/03/46/448230346.db2.gz ZHOBPYKQVWBWRH-CYBMUJFWSA-N 2 0 329.803 1.188 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000577269257 448250873 /nfs/dbraw/zinc/25/08/73/448250873.db2.gz MFGKHADDALBDEZ-KGLIPLIRSA-N 2 0 349.385 1.806 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCNC(=O)NC(C)C)[C@H](C)C1 ZINC000515056822 448251249 /nfs/dbraw/zinc/25/12/49/448251249.db2.gz KJXUCARNSFNVHO-HZPDHXFCSA-N 2 0 328.501 1.421 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000577269287 448251474 /nfs/dbraw/zinc/25/14/74/448251474.db2.gz PTDYRBLTRUJQBK-JKSUJKDBSA-N 2 0 338.496 1.258 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000515223416 448277928 /nfs/dbraw/zinc/27/79/28/448277928.db2.gz NQZWRBHOVRBRTI-QGZVFWFLSA-N 2 0 346.475 1.458 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000532463494 448262743 /nfs/dbraw/zinc/26/27/43/448262743.db2.gz FTMMNOYUBLGDDY-NVXWUHKLSA-N 2 0 325.460 2.485 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000577386364 448285415 /nfs/dbraw/zinc/28/54/15/448285415.db2.gz PRQJEGIWXIOGLL-ZBFHGGJFSA-N 2 0 325.522 1.662 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000515347568 448294997 /nfs/dbraw/zinc/29/49/97/448294997.db2.gz GZBJIDIIAMLFSX-GUDVDZBRSA-N 2 0 333.476 1.105 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000515855685 448357861 /nfs/dbraw/zinc/35/78/61/448357861.db2.gz IHERTLFKPAOBBY-CQSZACIVSA-N 2 0 328.501 1.373 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000515867922 448361393 /nfs/dbraw/zinc/36/13/93/448361393.db2.gz ULEARPPMRLTYAH-HNNXBMFYSA-N 2 0 325.522 1.854 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000515635606 448337001 /nfs/dbraw/zinc/33/70/01/448337001.db2.gz ISVLUNPFQWRFRP-CABCVRRESA-N 2 0 334.468 1.053 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000582909922 448377478 /nfs/dbraw/zinc/37/74/78/448377478.db2.gz ANZNNDAPBHQROE-QGZVFWFLSA-N 2 0 345.491 1.242 20 0 EDADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572615233 448424371 /nfs/dbraw/zinc/42/43/71/448424371.db2.gz UXGFWJIKLOJHEU-DLBZAZTESA-N 2 0 337.533 1.901 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000516514859 448431584 /nfs/dbraw/zinc/43/15/84/448431584.db2.gz FGCDBYCBKYSBRQ-KVSKMBFKSA-N 2 0 349.523 1.190 20 0 EDADRP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572751241 448456786 /nfs/dbraw/zinc/45/67/86/448456786.db2.gz AXRUKZQRYFAUKP-YLJYHZDGSA-N 2 0 333.520 1.939 20 0 EDADRP C[C@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCC[C@@H](C)C1 ZINC000578117347 448463643 /nfs/dbraw/zinc/46/36/43/448463643.db2.gz UUKQWAWVOTUWIV-VQHPVUNQSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578321184 448514509 /nfs/dbraw/zinc/51/45/09/448514509.db2.gz YMGZVYORGZJBMG-RDJZCZTQSA-N 2 0 331.464 1.269 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000578520170 448568132 /nfs/dbraw/zinc/56/81/32/448568132.db2.gz RKLBNZCXDRRONN-GVDBMIGSSA-N 2 0 337.533 1.947 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H](C)C[N@@H+]1C ZINC000536638773 448536124 /nfs/dbraw/zinc/53/61/24/448536124.db2.gz BQQZBGYQBQOUSI-RYRKJORJSA-N 2 0 330.476 1.845 20 0 EDADRP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491434 448551879 /nfs/dbraw/zinc/55/18/79/448551879.db2.gz SBHYBYOLNFLFKH-OTWHNJEPSA-N 2 0 330.472 1.716 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000517223736 448554641 /nfs/dbraw/zinc/55/46/41/448554641.db2.gz ISSYKIJYIKKBCK-INIZCTEOSA-N 2 0 332.448 1.290 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000573407130 448617944 /nfs/dbraw/zinc/61/79/44/448617944.db2.gz FPMPPNCDLODPAA-AEFFLSMTSA-N 2 0 337.508 1.747 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1ccccc1F ZINC000578890526 448663967 /nfs/dbraw/zinc/66/39/67/448663967.db2.gz QQFYHHPHIMGYPO-OSAQELSMSA-N 2 0 343.406 1.193 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000573746954 448703899 /nfs/dbraw/zinc/70/38/99/448703899.db2.gz XRIRQMGRCAZQTI-HNNXBMFYSA-N 2 0 347.463 1.264 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000579149763 448728692 /nfs/dbraw/zinc/72/86/92/448728692.db2.gz KROYFCWYVYYLKY-WBVHZDCISA-N 2 0 325.497 1.602 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000567986818 448793550 /nfs/dbraw/zinc/79/35/50/448793550.db2.gz FCWHLBWTDNDVKN-GJZGRUSLSA-N 2 0 349.504 1.480 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC[N@@H+]1C ZINC000529314611 448818378 /nfs/dbraw/zinc/81/83/78/448818378.db2.gz VRNYORGCMPWBGL-PVAVHDDUSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000529319730 448821065 /nfs/dbraw/zinc/82/10/65/448821065.db2.gz CIRPICXJUXCENY-JQHSSLGASA-N 2 0 346.475 1.185 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568214729 448839313 /nfs/dbraw/zinc/83/93/13/448839313.db2.gz BMRQKQWPIMKXCU-RTBURBONSA-N 2 0 347.503 1.718 20 0 EDADRP COc1cc2c(cc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000592463885 448848680 /nfs/dbraw/zinc/84/86/80/448848680.db2.gz JTRWCFQESWVVRR-CABCVRRESA-N 2 0 333.476 1.744 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000574401496 448866267 /nfs/dbraw/zinc/86/62/67/448866267.db2.gz DHKLRIFJXAHHMS-DZGCQCFKSA-N 2 0 344.459 1.463 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000568486956 448877832 /nfs/dbraw/zinc/87/78/32/448877832.db2.gz OAKFFWLDLPOAEZ-KBPBESRZSA-N 2 0 331.416 1.029 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000592558580 448900730 /nfs/dbraw/zinc/90/07/30/448900730.db2.gz BYODQBCVPQUGBA-ZBFHGGJFSA-N 2 0 339.480 1.251 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3)c21 ZINC000592566198 448903440 /nfs/dbraw/zinc/90/34/40/448903440.db2.gz DQVZFGKTJFVIDI-NVXWUHKLSA-N 2 0 339.443 1.506 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)nn1 ZINC000568878440 448934553 /nfs/dbraw/zinc/93/45/53/448934553.db2.gz UKWVJTXLQSTLIB-OAHLLOKOSA-N 2 0 334.468 1.108 20 0 EDADRP CCOc1ccc(OCC)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000521212719 448961215 /nfs/dbraw/zinc/96/12/15/448961215.db2.gz MVDAZCCWIQDTAD-CYBMUJFWSA-N 2 0 336.436 1.591 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)COC3CCC([NH3+])CC3)CC2)CC1 ZINC000569100421 448961624 /nfs/dbraw/zinc/96/16/24/448961624.db2.gz IBHCPWINPIAIHK-UHFFFAOYSA-N 2 0 337.508 1.996 20 0 EDADRP CCOc1ccc(OCC)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000521212720 448961828 /nfs/dbraw/zinc/96/18/28/448961828.db2.gz MVDAZCCWIQDTAD-ZDUSSCGKSA-N 2 0 336.436 1.591 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000574861119 448972093 /nfs/dbraw/zinc/97/20/93/448972093.db2.gz NJIXCBMRQSEQGE-IAGOWNOFSA-N 2 0 334.464 1.275 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000592759614 448973731 /nfs/dbraw/zinc/97/37/31/448973731.db2.gz TWUFAQWFTSYRLA-ZIAGYGMSSA-N 2 0 327.469 1.059 20 0 EDADRP CCOc1ccccc1[C@H](CC)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000569214722 448980032 /nfs/dbraw/zinc/98/00/32/448980032.db2.gz AQZSRXYDGQJCMR-HOCLYGCPSA-N 2 0 334.464 1.821 20 0 EDADRP C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C[NH+]1CCCCC1 ZINC000592956695 449077418 /nfs/dbraw/zinc/07/74/18/449077418.db2.gz INYSWZNSQQPOTB-LSDHHAIUSA-N 2 0 333.480 1.571 20 0 EDADRP [NH3+]C[C@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCCO1 ZINC000582229187 449041809 /nfs/dbraw/zinc/04/18/09/449041809.db2.gz QKSKNZJDHSGGSR-AWEZNQCLSA-N 2 0 330.388 1.355 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000575172896 449053772 /nfs/dbraw/zinc/05/37/72/449053772.db2.gz SNDNNAOHNMKUQP-MANSERQUSA-N 2 0 337.508 1.111 20 0 EDADRP C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)[C@@H]1CC[NH3+] ZINC000593730818 449165613 /nfs/dbraw/zinc/16/56/13/449165613.db2.gz HNMQTOAQGAZGGH-DOTOQJQBSA-N 2 0 346.475 1.852 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595930483 449260813 /nfs/dbraw/zinc/26/08/13/449260813.db2.gz RQVOLEAHNQWWKR-ROUUACIJSA-N 2 0 338.540 1.624 20 0 EDADRP COC(=O)[C@@H]1CCCCCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000611574921 449343411 /nfs/dbraw/zinc/34/34/11/449343411.db2.gz KODDDXLHDWVOKG-INIZCTEOSA-N 2 0 337.464 1.147 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(C(=O)OC)co2)CC1 ZINC000596108734 449365868 /nfs/dbraw/zinc/36/58/68/449365868.db2.gz WYZFLLVCYSAWPD-UHFFFAOYSA-N 2 0 337.420 1.146 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000611724108 449396276 /nfs/dbraw/zinc/39/62/76/449396276.db2.gz DEHYXZANUWQYOX-BRWVUGGUSA-N 2 0 338.496 1.269 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)C[C@H]1C ZINC000600683142 449491191 /nfs/dbraw/zinc/49/11/91/449491191.db2.gz SIHCVGLOMSEHLI-BFJAYTPKSA-N 2 0 335.452 1.270 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)n2c1CCCC2 ZINC000598634908 449510719 /nfs/dbraw/zinc/51/07/19/449510719.db2.gz UZXVJTCEUZBSNR-HNNXBMFYSA-N 2 0 348.491 1.337 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000602467753 449614131 /nfs/dbraw/zinc/61/41/31/449614131.db2.gz ZHSMZIZLAVTBQH-QGZVFWFLSA-N 2 0 325.460 1.842 20 0 EDADRP CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[NH+](CC)CC ZINC000617700341 449744793 /nfs/dbraw/zinc/74/47/93/449744793.db2.gz CGLGBSHLEGWYPY-RTBURBONSA-N 2 0 347.503 1.990 20 0 EDADRP CC(C)(C)OC(=O)COCC[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000601296686 449807336 /nfs/dbraw/zinc/80/73/36/449807336.db2.gz XGLIEEAAFOSZON-MRXNPFEDSA-N 2 0 342.480 1.578 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000594924564 449808673 /nfs/dbraw/zinc/80/86/73/449808673.db2.gz JJECSRYPEQHSMJ-CGTJXYLNSA-N 2 0 346.475 1.381 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000617767285 449830423 /nfs/dbraw/zinc/83/04/23/449830423.db2.gz NKNGBMJVLPUXLV-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)CC1 ZINC000601281775 449795240 /nfs/dbraw/zinc/79/52/40/449795240.db2.gz GGVDJURMADYDNR-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CCOC(=O)C[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000599266746 449844602 /nfs/dbraw/zinc/84/46/02/449844602.db2.gz LLSSABWLDKXJMY-KRWDZBQOSA-N 2 0 326.481 1.889 20 0 EDADRP CN1CCN(C(=O)NC[C@@]2(c3ccccc3)CC2(C)C)[C@H](C[NH3+])C1 ZINC000612939893 449947755 /nfs/dbraw/zinc/94/77/55/449947755.db2.gz DMPNNKTVZFWBLC-VQIMIIECSA-N 2 0 330.476 1.639 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939221 449948504 /nfs/dbraw/zinc/94/85/04/449948504.db2.gz RJOXMSGWQYYABW-CZUORRHYSA-N 2 0 332.448 1.357 20 0 EDADRP C[C@@]1(NC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000612872864 449920106 /nfs/dbraw/zinc/92/01/06/449920106.db2.gz LTYZUSIXPDXSFC-GOSISDBHSA-N 2 0 334.439 1.841 20 0 EDADRP C[C@]1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000612870916 449920280 /nfs/dbraw/zinc/92/02/80/449920280.db2.gz JODNYQZLCFVCNK-HNNXBMFYSA-N 2 0 326.510 1.399 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615309055 450056738 /nfs/dbraw/zinc/05/67/38/450056738.db2.gz PJILHKKDAMHOCQ-SUMDDJOVSA-N 2 0 331.460 1.174 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000619899104 450366770 /nfs/dbraw/zinc/36/67/70/450366770.db2.gz LDBFWVFTGNUSLB-SFHVURJKSA-N 2 0 344.503 1.799 20 0 EDADRP COCC1(CNC(=O)Nc2cccc(C[NH+](C)C)c2)CC[NH2+]CC1 ZINC000623069923 450390014 /nfs/dbraw/zinc/39/00/14/450390014.db2.gz SVPKVPFTSLCWAH-UHFFFAOYSA-N 2 0 334.464 1.886 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)NCCC[NH+]2CCC(O)CC2)[C@@H](c2ccccc2)C1 ZINC000625715175 450486449 /nfs/dbraw/zinc/48/64/49/450486449.db2.gz FXRGMFPZDOPEQS-MOPGFXCFSA-N 2 0 345.487 1.295 20 0 EDADRP COc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623343450 450501303 /nfs/dbraw/zinc/50/13/03/450501303.db2.gz UEECREQFLOAKBA-UHFFFAOYSA-N 2 0 333.476 1.964 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(C)COC1 ZINC000625790456 450508113 /nfs/dbraw/zinc/50/81/13/450508113.db2.gz AJDNONMEAVBFJM-FUHWJXTLSA-N 2 0 345.487 1.734 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000623375167 450508777 /nfs/dbraw/zinc/50/87/77/450508777.db2.gz AVPICWFQAOTYGO-KGLIPLIRSA-N 2 0 336.432 1.617 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000623401078 450514643 /nfs/dbraw/zinc/51/46/43/450514643.db2.gz QIUGNFISSPADQY-UHFFFAOYSA-N 2 0 340.475 1.872 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000623621263 450553787 /nfs/dbraw/zinc/55/37/87/450553787.db2.gz UGSRCLUPHMNLCF-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP CC[N@H+](CCN1CCCS1(=O)=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063089 450565784 /nfs/dbraw/zinc/56/57/84/450565784.db2.gz QQBCKCUALMQXKY-UHFFFAOYSA-N 2 0 339.505 1.606 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC000620971386 450567549 /nfs/dbraw/zinc/56/75/49/450567549.db2.gz HYJRDNVHNWEGNS-ROUUACIJSA-N 2 0 337.508 1.963 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000633029679 450625363 /nfs/dbraw/zinc/62/53/63/450625363.db2.gz WKTCSUYGYUTGGL-HOTGVXAUSA-N 2 0 330.432 1.040 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000633039004 450636238 /nfs/dbraw/zinc/63/62/38/450636238.db2.gz RPKYUNSWCZZQII-HOCLYGCPSA-N 2 0 344.459 1.212 20 0 EDADRP C[C@@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000623984330 450660874 /nfs/dbraw/zinc/66/08/74/450660874.db2.gz DTKUNSPSVNWQSM-TZMCWYRMSA-N 2 0 327.436 1.186 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000635137704 450682329 /nfs/dbraw/zinc/68/23/29/450682329.db2.gz POVHHRQJXDLFRO-GOSISDBHSA-N 2 0 347.503 1.634 20 0 EDADRP Cc1cc(CNC(=O)NC[C@H]2COCCN2C)cc(N2CCCC2)n1 ZINC000624085361 450700566 /nfs/dbraw/zinc/70/05/66/450700566.db2.gz PEAHDFTVSXZZIL-INIZCTEOSA-N 2 0 347.463 1.120 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624113885 450710010 /nfs/dbraw/zinc/71/00/10/450710010.db2.gz OYAIOJVMZOJZBF-HNNXBMFYSA-N 2 0 329.452 1.165 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1cc2ccccc2o1 ZINC000629578678 450745001 /nfs/dbraw/zinc/74/50/01/450745001.db2.gz DAPZREFSQLDKQB-KBPBESRZSA-N 2 0 333.432 1.906 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590893 450752368 /nfs/dbraw/zinc/75/23/68/450752368.db2.gz VOTYTDKPURPYGM-INIZCTEOSA-N 2 0 325.497 1.629 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590619 450752389 /nfs/dbraw/zinc/75/23/89/450752389.db2.gz ZWTRRFOISNKRNR-RDJZCZTQSA-N 2 0 325.497 1.628 20 0 EDADRP COC[C@@H](C)[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000629590421 450753021 /nfs/dbraw/zinc/75/30/21/450753021.db2.gz ZBHRMTMNEFJFHD-APWZRJJASA-N 2 0 345.487 1.833 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000629620178 450765335 /nfs/dbraw/zinc/76/53/35/450765335.db2.gz VJIISMFXXLZJER-SJLPKXTDSA-N 2 0 337.895 1.915 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000631804064 450786998 /nfs/dbraw/zinc/78/69/98/450786998.db2.gz VHICGZQNWHPBRG-MRXNPFEDSA-N 2 0 329.510 1.362 20 0 EDADRP C[N@H+](CCOCC[NH3+])C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC000631835279 450803885 /nfs/dbraw/zinc/80/38/85/450803885.db2.gz QDRWMWDDQHBJDQ-ZDUSSCGKSA-N 2 0 337.247 1.640 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000629917197 450886809 /nfs/dbraw/zinc/88/68/09/450886809.db2.gz PGDYOTUKSVBWDZ-ZWKOTPCHSA-N 2 0 331.460 1.049 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700001 450857828 /nfs/dbraw/zinc/85/78/28/450857828.db2.gz CBFIKWZRUMFCOV-ZDUSSCGKSA-N 2 0 338.456 1.298 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000631997153 450953836 /nfs/dbraw/zinc/95/38/36/450953836.db2.gz SLWOBCBNFBTDET-QGZVFWFLSA-N 2 0 343.537 1.752 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000626849652 450957375 /nfs/dbraw/zinc/95/73/75/450957375.db2.gz CWAVLLQTCIJGMC-MRXNPFEDSA-N 2 0 344.459 1.130 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CC[NH2+]1 ZINC000622004998 450982985 /nfs/dbraw/zinc/98/29/85/450982985.db2.gz XMAWGNLUKJVEAM-ZIAGYGMSSA-N 2 0 334.439 1.435 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626974763 451044420 /nfs/dbraw/zinc/04/44/20/451044420.db2.gz JSTHEQVWRBEUHT-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626918576 451003495 /nfs/dbraw/zinc/00/34/95/451003495.db2.gz CKTZSWHDQPAZJU-CHWSQXEVSA-N 2 0 338.418 1.887 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCOCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000626932852 451015283 /nfs/dbraw/zinc/01/52/83/451015283.db2.gz CRNRFIGSDKVMAL-INIZCTEOSA-N 2 0 328.501 1.408 20 0 EDADRP [NH3+]CC1(NC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000626934268 451016480 /nfs/dbraw/zinc/01/64/80/451016480.db2.gz CZTRYMLDMYKDFD-KRWDZBQOSA-N 2 0 346.475 1.631 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626934751 451017298 /nfs/dbraw/zinc/01/72/98/451017298.db2.gz MYPHHDUPHGWOJB-HUUCEWRRSA-N 2 0 326.485 1.162 20 0 EDADRP C[N@H+](CCCNC(=O)NC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000626934691 451017894 /nfs/dbraw/zinc/01/78/94/451017894.db2.gz LPKKWSWZNQPVHH-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626936745 451018439 /nfs/dbraw/zinc/01/84/39/451018439.db2.gz LLSJDSHAYHYZEU-IYBDPMFKSA-N 2 0 340.512 1.552 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939933 451021698 /nfs/dbraw/zinc/02/16/98/451021698.db2.gz PNPXNATWBZUSTJ-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCCOCCC[NH3+])C1 ZINC000626947252 451026404 /nfs/dbraw/zinc/02/64/04/451026404.db2.gz QADQXZXCXNPLSK-HUUCEWRRSA-N 2 0 328.501 1.408 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000626948993 451027910 /nfs/dbraw/zinc/02/79/10/451027910.db2.gz GYDWZMHNTICLSM-RLFYNMQTSA-N 2 0 346.475 1.457 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000626991601 451057487 /nfs/dbraw/zinc/05/74/87/451057487.db2.gz ITZRAJUPMHYEGB-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000626991980 451058780 /nfs/dbraw/zinc/05/87/80/451058780.db2.gz NJIBUDQSJLJDPP-OAHLLOKOSA-N 2 0 342.871 1.607 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000626993703 451059286 /nfs/dbraw/zinc/05/92/86/451059286.db2.gz KYMAZTCFMNAZLV-WMZOPIPTSA-N 2 0 348.491 1.514 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627027395 451088614 /nfs/dbraw/zinc/08/86/14/451088614.db2.gz OWILIIARIHRHJN-INIZCTEOSA-N 2 0 326.485 1.448 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC1([NH3+])CCOCC1)[NH+](C)C ZINC000627033614 451092728 /nfs/dbraw/zinc/09/27/28/451092728.db2.gz ORJYLZVPFHQFBP-DOTOQJQBSA-N 2 0 348.491 1.793 20 0 EDADRP CCO[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000625023383 451116547 /nfs/dbraw/zinc/11/65/47/451116547.db2.gz FAVBFDJJHYBRCL-IAGOWNOFSA-N 2 0 325.497 1.676 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000627110318 451127139 /nfs/dbraw/zinc/12/71/39/451127139.db2.gz BVPRMIYETXFHOW-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000627166855 451159957 /nfs/dbraw/zinc/15/99/57/451159957.db2.gz OVPQJUQHRBIFSC-SCTDSRPQSA-N 2 0 346.475 1.063 20 0 EDADRP CN(C(=O)NCCOCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627216201 451192191 /nfs/dbraw/zinc/19/21/91/451192191.db2.gz SMESFNRRCQMMNX-QGZVFWFLSA-N 2 0 334.464 1.268 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC000635720984 451198556 /nfs/dbraw/zinc/19/85/56/451198556.db2.gz FKHKWACYOBXOLL-IXDOHACOSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000635795306 451245451 /nfs/dbraw/zinc/24/54/51/451245451.db2.gz RWKYMBYDDSICHB-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)Cn2ccnc2C[NH3+])CC1 ZINC000630583522 451261189 /nfs/dbraw/zinc/26/11/89/451261189.db2.gz HPANMMMRTOFCCC-UHFFFAOYSA-N 2 0 341.459 1.431 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638099744 451264939 /nfs/dbraw/zinc/26/49/39/451264939.db2.gz DYHMCHLTZHIXNA-RYQLBKOJSA-N 2 0 333.476 1.910 20 0 EDADRP COc1ccc(CN2CC[C@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000635818564 451266460 /nfs/dbraw/zinc/26/64/60/451266460.db2.gz HGVNUXPMRHJLHU-KURKYZTESA-N 2 0 331.460 1.868 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)CC(C)C ZINC000636524244 451266944 /nfs/dbraw/zinc/26/69/44/451266944.db2.gz IEHJFYUMMUTTDN-HOTGVXAUSA-N 2 0 328.501 1.109 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111256 451279883 /nfs/dbraw/zinc/27/98/83/451279883.db2.gz MSCNNZTYYJXMMI-RTBURBONSA-N 2 0 346.519 1.540 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)c2cnc(C[NH3+])nc2)c1 ZINC000638112259 451279995 /nfs/dbraw/zinc/27/99/95/451279995.db2.gz IVCQDTSCOSAELJ-UHFFFAOYSA-N 2 0 329.404 1.518 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638112899 451281093 /nfs/dbraw/zinc/28/10/93/451281093.db2.gz WPNPJGPIKCDCLP-HBFSDRIKSA-N 2 0 345.487 1.734 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C[NH3+])CCCOC2)C1 ZINC000638113216 451281463 /nfs/dbraw/zinc/28/14/63/451281463.db2.gz ZSEOEBMPPBPALC-CRAIPNDOSA-N 2 0 325.497 1.759 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000638125024 451296187 /nfs/dbraw/zinc/29/61/87/451296187.db2.gz HOEBZMHAKYUGGZ-UHFFFAOYSA-N 2 0 335.448 1.764 20 0 EDADRP C[C@H]1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638129580 451300434 /nfs/dbraw/zinc/30/04/34/451300434.db2.gz BWWFCGYTGJKIEC-FXAWDEMLSA-N 2 0 345.487 1.865 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CN1CC[NH2+]CC1 ZINC000638133750 451304867 /nfs/dbraw/zinc/30/48/67/451304867.db2.gz MFTXMQSUUFUSBK-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000638133590 451306052 /nfs/dbraw/zinc/30/60/52/451306052.db2.gz JDBZYRLBOLLEGM-IDCJVQTKSA-N 2 0 331.460 1.518 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136512 451308573 /nfs/dbraw/zinc/30/85/73/451308573.db2.gz HVSLABOCNJNAMH-GOSISDBHSA-N 2 0 328.460 1.098 20 0 EDADRP CC[N@H+](CCCNS(=O)(=O)CCC[NH+](C)C)C1CCCCC1 ZINC000632508633 451354571 /nfs/dbraw/zinc/35/45/71/451354571.db2.gz JRFFZJQSVUKOIC-UHFFFAOYSA-N 2 0 333.542 1.902 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638212947 451357346 /nfs/dbraw/zinc/35/73/46/451357346.db2.gz BGEKGYIEGVEQST-MRXNPFEDSA-N 2 0 332.492 1.484 20 0 EDADRP C[N@H+](CC(=O)NCC(=O)NCC[NH+]1CCCCCC1)CC(C)(C)C ZINC000635963061 451401505 /nfs/dbraw/zinc/40/15/05/451401505.db2.gz ZZDYLTHAGIMDON-UHFFFAOYSA-N 2 0 340.512 1.073 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCN2CCc3ccccc3C2)CC1 ZINC000638326087 451434474 /nfs/dbraw/zinc/43/44/74/451434474.db2.gz JECPYFZJPIVGGK-UHFFFAOYSA-N 2 0 331.504 1.870 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638363990 451462006 /nfs/dbraw/zinc/46/20/06/451462006.db2.gz UXOIENKEMPQWNO-CYBMUJFWSA-N 2 0 328.407 1.359 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000638365619 451463648 /nfs/dbraw/zinc/46/36/48/451463648.db2.gz IXJBQLGAXRYXHR-WMLDXEAASA-N 2 0 331.460 1.556 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)o2)C1 ZINC000638370631 451469097 /nfs/dbraw/zinc/46/90/97/451469097.db2.gz MCOUTOKNKKXXQG-ZIAGYGMSSA-N 2 0 343.493 1.775 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000638375312 451471516 /nfs/dbraw/zinc/47/15/16/451471516.db2.gz XFQHVSXTKPLSHI-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP CC1([NH+]2CCCC2)CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632639358 451479841 /nfs/dbraw/zinc/47/98/41/451479841.db2.gz WTJYJCHFALFTHV-UHFFFAOYSA-N 2 0 343.537 1.752 20 0 EDADRP C[C@](O)(C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000634708371 451486376 /nfs/dbraw/zinc/48/63/76/451486376.db2.gz TVQGBIGSKFEXGQ-RDGPPVDQSA-N 2 0 340.508 1.256 20 0 EDADRP C[C@](O)(C[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000634709550 451487778 /nfs/dbraw/zinc/48/77/78/451487778.db2.gz KUDSFDXVXFNFCB-OALUTQOASA-N 2 0 333.476 1.800 20 0 EDADRP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000636100011 451514494 /nfs/dbraw/zinc/51/44/94/451514494.db2.gz BTSZLUMWCUCKFN-ZACQAIPSSA-N 2 0 337.533 1.947 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)n2)CC1 ZINC000636098132 451515070 /nfs/dbraw/zinc/51/50/70/451515070.db2.gz OCQFXGOGHJLIRY-IYBDPMFKSA-N 2 0 343.475 1.190 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000631042200 451549551 /nfs/dbraw/zinc/54/95/51/451549551.db2.gz HIOGBMWWMWXVGI-KRWDZBQOSA-N 2 0 335.496 1.916 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCC3([NH3+])CCCC3)ccc2[nH]c1=O ZINC000638408776 451495748 /nfs/dbraw/zinc/49/57/48/451495748.db2.gz DUVNQXFYIPDACL-UHFFFAOYSA-N 2 0 345.447 1.305 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000638526749 451558416 /nfs/dbraw/zinc/55/84/16/451558416.db2.gz PAPYCQBJTCLTBV-AWEZNQCLSA-N 2 0 332.448 1.306 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638556508 451575012 /nfs/dbraw/zinc/57/50/12/451575012.db2.gz LNJPXZAFWJARNU-NJZAAPMLSA-N 2 0 329.366 1.846 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc3c(cn2)OCCO3)CC1 ZINC000638553256 451573792 /nfs/dbraw/zinc/57/37/92/451573792.db2.gz ROOMLNRRVZCCRG-OAHLLOKOSA-N 2 0 334.464 1.216 20 0 EDADRP COc1cc(C[C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccn1 ZINC000638564619 451578827 /nfs/dbraw/zinc/57/88/27/451578827.db2.gz LGJBUXRGUMRMDE-INIZCTEOSA-N 2 0 334.508 1.884 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[NH2+]1 ZINC000638638789 451625911 /nfs/dbraw/zinc/62/59/11/451625911.db2.gz GENADHIIDGRSER-ZJUUUORDSA-N 2 0 342.394 1.011 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000638672513 451643653 /nfs/dbraw/zinc/64/36/53/451643653.db2.gz UTUKVOOGPITXOX-NSHDSACASA-N 2 0 327.388 1.221 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635012215 451647675 /nfs/dbraw/zinc/64/76/75/451647675.db2.gz JQJFRSPINFNTDQ-UKRRQHHQSA-N 2 0 328.478 1.537 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)N1CCOCC1 ZINC000638751453 451677936 /nfs/dbraw/zinc/67/79/36/451677936.db2.gz RHQSTXLWNCQPOO-ZWKOTPCHSA-N 2 0 339.524 1.455 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780601 451688964 /nfs/dbraw/zinc/68/89/64/451688964.db2.gz TZUUPRLNQJBUNA-MSOLQXFVSA-N 2 0 331.460 1.174 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CCCCC[C@@H]([NH3+])C3)ccn2)CC1 ZINC000638819782 451700524 /nfs/dbraw/zinc/70/05/24/451700524.db2.gz MQKWEDSBYKBFFJ-MRXNPFEDSA-N 2 0 331.464 1.177 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000638855177 451712122 /nfs/dbraw/zinc/71/21/22/451712122.db2.gz QKIDHHJFUFMXFV-BZZMCLGOSA-N 2 0 331.460 1.235 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)CCCCCC1 ZINC000636483598 451731259 /nfs/dbraw/zinc/73/12/59/451731259.db2.gz RNDAJOXMIJHMIN-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)C1 ZINC000641032056 451735740 /nfs/dbraw/zinc/73/57/40/451735740.db2.gz GHIXNODSGZPZAI-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638931972 451738883 /nfs/dbraw/zinc/73/88/83/451738883.db2.gz TUPLWDMLUAREIT-NVXWUHKLSA-N 2 0 330.476 1.318 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)c2)CC1 ZINC000638967969 451743188 /nfs/dbraw/zinc/74/31/88/451743188.db2.gz MFXDJZNNFLUPMI-RUCARUNLSA-N 2 0 344.503 1.681 20 0 EDADRP O=C(Cc1cc(F)ccc1F)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987154 451747079 /nfs/dbraw/zinc/74/70/79/451747079.db2.gz AKHICGWTKHFDOZ-UHFFFAOYSA-N 2 0 332.354 1.951 20 0 EDADRP COc1ccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1F ZINC000638987652 451748059 /nfs/dbraw/zinc/74/80/59/451748059.db2.gz VGYCARSWXLUVBS-UHFFFAOYSA-N 2 0 344.390 1.820 20 0 EDADRP O=C(CNC(=O)C1CCCCC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987651 451748108 /nfs/dbraw/zinc/74/81/08/451748108.db2.gz VDJAVWGVCQOHFI-UHFFFAOYSA-N 2 0 345.447 1.126 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221923 451787702 /nfs/dbraw/zinc/78/77/02/451787702.db2.gz MBKRKPBNUPBHMJ-SJLPKXTDSA-N 2 0 331.464 1.092 20 0 EDADRP CC[C@H](C)[C@H](C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)OC ZINC000639261340 451800263 /nfs/dbraw/zinc/80/02/63/451800263.db2.gz NDHYTKMHUMSWRI-IRXDYDNUSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCCC3CC[NH2+]CC3)c2)CC1 ZINC000653272073 451807451 /nfs/dbraw/zinc/80/74/51/451807451.db2.gz XYFLAEQZCDWZQF-UHFFFAOYSA-N 2 0 344.503 1.554 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC000644540933 451850852 /nfs/dbraw/zinc/85/08/52/451850852.db2.gz RCQFGBCVKFDXLN-SFHVURJKSA-N 2 0 336.476 1.825 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000644562472 451862731 /nfs/dbraw/zinc/86/27/31/451862731.db2.gz UCSZIZFDQPVLTP-QGZVFWFLSA-N 2 0 339.911 1.859 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562287 451862956 /nfs/dbraw/zinc/86/29/56/451862956.db2.gz IBQOJEDSYWDMKL-SFHVURJKSA-N 2 0 349.519 1.659 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000653354200 451867051 /nfs/dbraw/zinc/86/70/51/451867051.db2.gz QSKSARSKQIMDLD-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000637455362 451870150 /nfs/dbraw/zinc/87/01/50/451870150.db2.gz HBIYGFWVNJHSFJ-MWDXBVQZSA-N 2 0 342.528 1.713 20 0 EDADRP C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1CC[NH+](C)CC1 ZINC000642518382 451886397 /nfs/dbraw/zinc/88/63/97/451886397.db2.gz RMWPOXNVEPMIJS-INIZCTEOSA-N 2 0 341.544 1.242 20 0 EDADRP O=C(Cc1cn2c(n1)CCCC2)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000651521983 451887284 /nfs/dbraw/zinc/88/72/84/451887284.db2.gz MFJIWQRLOLKUQZ-IRXDYDNUSA-N 2 0 346.475 1.522 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000649276626 451947475 /nfs/dbraw/zinc/94/74/75/451947475.db2.gz SXDIRAHPXJSLMD-INIZCTEOSA-N 2 0 346.475 1.695 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COC1(C)C[NH2+]C1)c1cccc(OC)c1 ZINC000649282915 451956318 /nfs/dbraw/zinc/95/63/18/451956318.db2.gz RUBPRYIWUDIWLW-QGZVFWFLSA-N 2 0 349.475 1.573 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@]2(N)CC[NH+](C)C2)cc1 ZINC000649288269 451962478 /nfs/dbraw/zinc/96/24/78/451962478.db2.gz HBJICGLIEPEVDC-OXJNMPFZSA-N 2 0 344.503 1.710 20 0 EDADRP COCCC1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649293138 451969301 /nfs/dbraw/zinc/96/93/01/451969301.db2.gz AHKPDMPGQJGVHI-JKSUJKDBSA-N 2 0 325.497 1.629 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649310484 451988609 /nfs/dbraw/zinc/98/86/09/451988609.db2.gz MJKSCWOKIWDPOJ-JKSUJKDBSA-N 2 0 338.496 1.097 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000649311881 451990016 /nfs/dbraw/zinc/99/00/16/451990016.db2.gz ZIIQCSLQOAFORY-UHFFFAOYSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649323654 452003956 /nfs/dbraw/zinc/00/39/56/452003956.db2.gz MFOHWDXONRZZAJ-KXBFYZLASA-N 2 0 330.476 1.361 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000649326551 452006255 /nfs/dbraw/zinc/00/62/55/452006255.db2.gz BNEPLCWXYJLYNO-RUEZSYAVSA-N 2 0 335.492 1.604 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)cnn1C ZINC000649326781 452007044 /nfs/dbraw/zinc/00/70/44/452007044.db2.gz IFYWCFSHOWXIHC-XDNAFOTISA-N 2 0 345.491 1.117 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668257 452009725 /nfs/dbraw/zinc/00/97/25/452009725.db2.gz YSNJIRXQEZMIDK-WMLDXEAASA-N 2 0 348.495 1.954 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649344607 452024559 /nfs/dbraw/zinc/02/45/59/452024559.db2.gz HDBWFPWFMHZHAN-AEFFLSMTSA-N 2 0 331.460 1.345 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649343643 452025209 /nfs/dbraw/zinc/02/52/09/452025209.db2.gz MGJJOPPSYMTNSL-SUMDDJOVSA-N 2 0 331.460 1.534 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078561 452046725 /nfs/dbraw/zinc/04/67/25/452046725.db2.gz BBKFXMBJYONOCZ-GOEBONIOSA-N 2 0 335.423 1.082 20 0 EDADRP C[N@H+](CCN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393394 452062399 /nfs/dbraw/zinc/06/23/99/452062399.db2.gz GCMYZJHEUCXFKN-LJQANCHMSA-N 2 0 344.503 1.533 20 0 EDADRP O=C(CN1CC[NH+](CCCC2CC[NH2+]CC2)CC1)N1CCCCC1 ZINC000649411301 452074260 /nfs/dbraw/zinc/07/42/60/452074260.db2.gz FYWSIWHQGIHNHU-UHFFFAOYSA-N 2 0 336.524 1.396 20 0 EDADRP CC[N@H+]1[C@H](C)CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000639741751 452085947 /nfs/dbraw/zinc/08/59/47/452085947.db2.gz CXLNGZGITCYADJ-SCTDSRPQSA-N 2 0 346.519 1.820 20 0 EDADRP [NH3+]C1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000637797883 452087591 /nfs/dbraw/zinc/08/75/91/452087591.db2.gz GVMLUHWSSDDAMH-UYAOXDASSA-N 2 0 343.471 1.475 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637805187 452092440 /nfs/dbraw/zinc/09/24/40/452092440.db2.gz KNTSHJAPQXSMSX-HBFSDRIKSA-N 2 0 343.471 1.393 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637816652 452098279 /nfs/dbraw/zinc/09/82/79/452098279.db2.gz JXZRNKXPALGYQH-LLVKDONJSA-N 2 0 342.394 1.094 20 0 EDADRP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647200071 452121318 /nfs/dbraw/zinc/12/13/18/452121318.db2.gz HFTFVHYRDUVIDR-UHFFFAOYSA-N 2 0 329.441 1.295 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000649755575 452233096 /nfs/dbraw/zinc/23/30/96/452233096.db2.gz RKNORSIKRSVBPF-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)[C@H]1CCC[NH2+]1 ZINC000647509554 452245911 /nfs/dbraw/zinc/24/59/11/452245911.db2.gz OYNKGDHJSDHAPW-DOTOQJQBSA-N 2 0 341.459 1.415 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000647522251 452257163 /nfs/dbraw/zinc/25/71/63/452257163.db2.gz MHLBENITCIYDLE-PMACEKPBSA-N 2 0 328.456 1.673 20 0 EDADRP CN(Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](CO)Cc1ccccc1 ZINC000647522565 452257867 /nfs/dbraw/zinc/25/78/67/452257867.db2.gz ODWKXIISKLCQNL-PMACEKPBSA-N 2 0 328.456 1.673 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000643489388 452258160 /nfs/dbraw/zinc/25/81/60/452258160.db2.gz OFXSPRZFJLIYGF-VYDXJSESSA-N 2 0 337.489 1.427 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)CC[C@H]1F ZINC000659426621 452268590 /nfs/dbraw/zinc/26/85/90/452268590.db2.gz YNOPDPQSXHWUHS-RBSFLKMASA-N 2 0 338.427 1.887 20 0 EDADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647539608 452269926 /nfs/dbraw/zinc/26/99/26/452269926.db2.gz WTEMEFBFXJWTLI-SFHVURJKSA-N 2 0 343.475 1.507 20 0 EDADRP Cn1ccnc1[C@H]1C[NH2+]CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000647539607 452272092 /nfs/dbraw/zinc/27/20/92/452272092.db2.gz WTEMEFBFXJWTLI-GOSISDBHSA-N 2 0 343.475 1.507 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659432776 452279168 /nfs/dbraw/zinc/27/91/68/452279168.db2.gz NHYOAMWKOXWBDN-UHFFFAOYSA-N 2 0 334.464 1.698 20 0 EDADRP CO[C@@]1(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCOC1 ZINC000638031771 452280971 /nfs/dbraw/zinc/28/09/71/452280971.db2.gz AHNQNBZUNZFAHI-HXUWFJFHSA-N 2 0 347.503 1.542 20 0 EDADRP C[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000659446590 452295092 /nfs/dbraw/zinc/29/50/92/452295092.db2.gz QETQRFWYDMRZKX-XVTSOASTSA-N 2 0 328.460 1.484 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000659452455 452302750 /nfs/dbraw/zinc/30/27/50/452302750.db2.gz BZIGZLVSCBKGQB-OAHLLOKOSA-N 2 0 334.464 1.568 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659456181 452306930 /nfs/dbraw/zinc/30/69/30/452306930.db2.gz IZLFRJXARVKZAQ-GJZGRUSLSA-N 2 0 328.501 1.502 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458842 452312458 /nfs/dbraw/zinc/31/24/58/452312458.db2.gz ALJSXYRCKNRDRQ-QGZVFWFLSA-N 2 0 340.512 1.376 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000652118109 452314624 /nfs/dbraw/zinc/31/46/24/452314624.db2.gz QUKBSOJFUHBPNT-UHFFFAOYSA-N 2 0 328.501 1.515 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000659460821 452314879 /nfs/dbraw/zinc/31/48/79/452314879.db2.gz UIMQOPLBIONPBC-DZOHQFGASA-N 2 0 330.476 1.914 20 0 EDADRP CC[NH+](CC)CCCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638047710 452315287 /nfs/dbraw/zinc/31/52/87/452315287.db2.gz KHVDXDUYLYZDJQ-NSHDSACASA-N 2 0 344.410 1.212 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652120273 452316872 /nfs/dbraw/zinc/31/68/72/452316872.db2.gz DWXCARHWFPLMIU-MRXNPFEDSA-N 2 0 326.485 1.032 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@H]34)cc2n1 ZINC000657535721 452319093 /nfs/dbraw/zinc/31/90/93/452319093.db2.gz QAOBTUNLXLEMAF-HUUCEWRRSA-N 2 0 341.415 1.324 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCCC[NH2+]1 ZINC000638049756 452319282 /nfs/dbraw/zinc/31/92/82/452319282.db2.gz HJAOJOGLMRJHHD-AEFFLSMTSA-N 2 0 337.439 1.703 20 0 EDADRP CO[C@H](C[NH2+]CC1(CN2CCOCC2)CCCCC1)[C@H]1CCOC1 ZINC000657540237 452323490 /nfs/dbraw/zinc/32/34/90/452323490.db2.gz FRRLCMDZYOOKMH-ZWKOTPCHSA-N 2 0 340.508 1.910 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652140506 452333521 /nfs/dbraw/zinc/33/35/21/452333521.db2.gz RLUINMNGIUBCFR-QAETUUGQSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659480418 452338716 /nfs/dbraw/zinc/33/87/16/452338716.db2.gz LQOPPHIAKSVYOH-FTSJTYPLSA-N 2 0 342.487 1.948 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[N@H+](C)C1CC1 ZINC000652147240 452340702 /nfs/dbraw/zinc/34/07/02/452340702.db2.gz NRDLVBSYBRWWER-DLTWYDFYSA-N 2 0 338.496 1.397 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCCC1 ZINC000659481290 452341925 /nfs/dbraw/zinc/34/19/25/452341925.db2.gz XGWNWABQZVPWMM-QGZVFWFLSA-N 2 0 346.475 1.324 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659515132 452380712 /nfs/dbraw/zinc/38/07/12/452380712.db2.gz AWCBMHLTISXBTP-SJORKVTESA-N 2 0 334.464 1.036 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638071972 452380816 /nfs/dbraw/zinc/38/08/16/452380816.db2.gz JFBODRHDKURKQR-DZJNRPSUSA-N 2 0 331.460 1.662 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659521653 452384666 /nfs/dbraw/zinc/38/46/66/452384666.db2.gz DUZHAYOPMBDBFZ-INIZCTEOSA-N 2 0 340.512 1.550 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H](C)C[NH3+])cc1 ZINC000659526114 452389105 /nfs/dbraw/zinc/38/91/05/452389105.db2.gz KWEYMAVGIBHVQD-COXVUDFISA-N 2 0 334.464 1.425 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659534481 452394542 /nfs/dbraw/zinc/39/45/42/452394542.db2.gz AJWLAXTZIAFUND-QZTJIDSGSA-N 2 0 345.491 1.863 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000659535596 452396144 /nfs/dbraw/zinc/39/61/44/452396144.db2.gz ARAZWZVPQRJULA-ZTFGCOKTSA-N 2 0 348.491 1.828 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659557568 452413745 /nfs/dbraw/zinc/41/37/45/452413745.db2.gz SACBEBUNWPSECJ-ZJPYXAASSA-N 2 0 334.508 1.796 20 0 EDADRP CC[N@H+](CCCNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000652224041 452417106 /nfs/dbraw/zinc/41/71/06/452417106.db2.gz RTUNZCNGWQNEOG-QGZVFWFLSA-N 2 0 340.512 1.709 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)NC[C@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000657650469 452418788 /nfs/dbraw/zinc/41/87/88/452418788.db2.gz CJHBNPOHYJVUFU-CYBMUJFWSA-N 2 0 329.404 1.039 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000659588639 452445218 /nfs/dbraw/zinc/44/52/18/452445218.db2.gz ZQIGCIOENBSHNM-ROUUACIJSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)c1ccc(Cl)cc1 ZINC000659614293 452471033 /nfs/dbraw/zinc/47/10/33/452471033.db2.gz CBIRFWVOIRYCAC-VXKCQOAXSA-N 2 0 336.867 1.994 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000659621605 452478439 /nfs/dbraw/zinc/47/84/39/452478439.db2.gz HNKABJTWDZEZCF-OAHLLOKOSA-N 2 0 327.517 1.075 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@@H]21 ZINC000652340426 452509573 /nfs/dbraw/zinc/50/95/73/452509573.db2.gz UHZFIJBEXUJCEV-FHLIZLRMSA-N 2 0 349.500 1.687 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3cccc(F)c3)C2)C1 ZINC000652345886 452519971 /nfs/dbraw/zinc/51/99/71/452519971.db2.gz OLYQRXCKHYJXJV-YSVLISHTSA-N 2 0 335.423 1.983 20 0 EDADRP COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346024 452520023 /nfs/dbraw/zinc/52/00/23/452520023.db2.gz RMHGNTGBLLGKMC-DAYGRLMNSA-N 2 0 347.459 1.852 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)CC1 ZINC000647783730 452520073 /nfs/dbraw/zinc/52/00/73/452520073.db2.gz AYXKZVVXXNNBCD-BURNTYAHSA-N 3 0 342.531 1.953 20 0 EDADRP c1cc(CN2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786524 452523136 /nfs/dbraw/zinc/52/31/36/452523136.db2.gz RASUIOOLMXELKJ-VAMGGRTRSA-N 2 0 329.488 1.997 20 0 EDADRP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647796774 452528362 /nfs/dbraw/zinc/52/83/62/452528362.db2.gz NKVDXAHUVJDHNM-NXOAAHMSSA-N 2 0 349.500 1.427 20 0 EDADRP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652361643 452541756 /nfs/dbraw/zinc/54/17/56/452541756.db2.gz LMJPEWSSGDDWDW-RRFJBIMHSA-N 2 0 336.436 1.094 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)N2CCc3ccccc32)C1 ZINC000652360298 452542596 /nfs/dbraw/zinc/54/25/96/452542596.db2.gz DUHONTFYACXLOH-QRQLOZEOSA-N 2 0 343.471 1.937 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c(nnn3C)C2)[C@@H](C)C1 ZINC000655829972 452602122 /nfs/dbraw/zinc/60/21/22/452602122.db2.gz SUCWWYLTDGEHGP-XHSDSOJGSA-N 2 0 335.496 1.399 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000647881159 452617933 /nfs/dbraw/zinc/61/79/33/452617933.db2.gz IKGYEFZLHJVHGN-CHWSQXEVSA-N 2 0 332.366 1.986 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccccc1C(F)(F)F)C[C@@H]1CC[NH2+]C1 ZINC000647881160 452618902 /nfs/dbraw/zinc/61/89/02/452618902.db2.gz IKGYEFZLHJVHGN-OLZOCXBDSA-N 2 0 332.366 1.986 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)c1 ZINC000655908609 452665004 /nfs/dbraw/zinc/66/50/04/452665004.db2.gz XHPJWLZQOOYUMC-QGZVFWFLSA-N 2 0 332.448 1.864 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+]2CCCC2)o1 ZINC000655915157 452674136 /nfs/dbraw/zinc/67/41/36/452674136.db2.gz LIQYYCMVTGKXBL-DGCLKSJQSA-N 2 0 348.369 1.914 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655920002 452680814 /nfs/dbraw/zinc/68/08/14/452680814.db2.gz RNEZTPBZAFZRIA-ZIAGYGMSSA-N 2 0 344.381 1.792 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924872 452691324 /nfs/dbraw/zinc/69/13/24/452691324.db2.gz SCXBPUBKZFRGER-BNOWGMLFSA-N 2 0 344.381 1.696 20 0 EDADRP O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978589 452724122 /nfs/dbraw/zinc/72/41/22/452724122.db2.gz VFQSNEZHADQDSG-HOTGVXAUSA-N 2 0 329.448 1.208 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978556 452724315 /nfs/dbraw/zinc/72/43/15/452724315.db2.gz UWCGNRXLHQZQFM-CVEARBPZSA-N 2 0 348.491 1.563 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000661973300 452727298 /nfs/dbraw/zinc/72/72/98/452727298.db2.gz QBQRBUSOGLXLHP-QGZVFWFLSA-N 2 0 340.512 1.658 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655958753 452739987 /nfs/dbraw/zinc/73/99/87/452739987.db2.gz OPFWBZFGXITVKT-CVEARBPZSA-N 2 0 330.432 1.217 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc2c(c1)C[NH2+]C2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655965322 452746167 /nfs/dbraw/zinc/74/61/67/452746167.db2.gz BJPWMHYZIYVKSB-SOUVJXGZSA-N 2 0 346.475 1.587 20 0 EDADRP CC(=O)NC1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000658135314 452746821 /nfs/dbraw/zinc/74/68/21/452746821.db2.gz DDVDFXJNDQTDES-MHJFOBGBSA-N 2 0 345.487 1.790 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2ccnn2c1 ZINC000648034930 452770890 /nfs/dbraw/zinc/77/08/90/452770890.db2.gz LNFVRPKUDMJDCT-KRWDZBQOSA-N 2 0 330.480 1.577 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000652612608 452771453 /nfs/dbraw/zinc/77/14/53/452771453.db2.gz XDDIQVUFDNIEAH-GJZGRUSLSA-N 2 0 334.468 1.298 20 0 EDADRP [NH3+]CCOCC(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000645840766 452839242 /nfs/dbraw/zinc/83/92/42/452839242.db2.gz IMXYBOJSHMJXIA-UHFFFAOYSA-N 2 0 348.447 1.415 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)C1CCCCC1 ZINC000652694651 452842257 /nfs/dbraw/zinc/84/22/57/452842257.db2.gz DBALXSTWCNBGHE-MRXNPFEDSA-N 2 0 338.496 1.001 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000648132435 452846952 /nfs/dbraw/zinc/84/69/52/452846952.db2.gz OTDGDKJAWYBZKE-LBPRGKRZSA-N 2 0 344.394 1.240 20 0 EDADRP CO[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)[C@H]1CCOC1 ZINC000659973773 452879561 /nfs/dbraw/zinc/87/95/61/452879561.db2.gz HDOUQJXQJMSQCM-FUHWJXTLSA-N 2 0 326.481 1.615 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000656153897 452909688 /nfs/dbraw/zinc/90/96/88/452909688.db2.gz NVYCPTVJZYQDHR-IMJJTQAJSA-N 2 0 347.459 1.241 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3cnc(N4CCCC4)nc3)C2)C1 ZINC000650706683 452945734 /nfs/dbraw/zinc/94/57/34/452945734.db2.gz QHXCSFWSTRHOMS-KURKYZTESA-N 2 0 345.491 1.795 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654851303 452975986 /nfs/dbraw/zinc/97/59/86/452975986.db2.gz PJTUQFFPTXJSJF-UHFFFAOYSA-N 2 0 328.460 1.995 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000660075989 452991613 /nfs/dbraw/zinc/99/16/13/452991613.db2.gz DQEDALFADMAGOV-AWEZNQCLSA-N 2 0 334.445 1.697 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000662293484 453016402 /nfs/dbraw/zinc/01/64/02/453016402.db2.gz SOOHRSBKRXHUMR-WBVHZDCISA-N 2 0 343.537 1.370 20 0 EDADRP CC[C@H]1CN(C)c2ccccc2C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666650269 453036904 /nfs/dbraw/zinc/03/69/04/453036904.db2.gz BMKXMHOTFLPVEP-AEFFLSMTSA-N 2 0 344.503 1.914 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666663952 453049494 /nfs/dbraw/zinc/04/94/94/453049494.db2.gz UZMMECCBPKDPSS-RHSMWYFYSA-N 2 0 326.485 1.005 20 0 EDADRP CC(C)OCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338280 453057303 /nfs/dbraw/zinc/05/73/03/453057303.db2.gz PVYRYTOGSDDBCI-MRXNPFEDSA-N 2 0 335.496 1.814 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000644165787 453095412 /nfs/dbraw/zinc/09/54/12/453095412.db2.gz SJIMBGLAKNVIJV-NVXWUHKLSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662386684 453096726 /nfs/dbraw/zinc/09/67/26/453096726.db2.gz DPWCVTRQIIVVGQ-ZIAGYGMSSA-N 2 0 334.464 1.992 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662419449 453128050 /nfs/dbraw/zinc/12/80/50/453128050.db2.gz IHKKJPDZDKSPEI-MSOLQXFVSA-N 2 0 333.476 1.767 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662467047 453176473 /nfs/dbraw/zinc/17/64/73/453176473.db2.gz MPLPWPGKMQXVFW-KXBFYZLASA-N 2 0 343.471 1.838 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000660300008 453189608 /nfs/dbraw/zinc/18/96/08/453189608.db2.gz KMRFTMLTVUZTGM-OWCLPIDISA-N 2 0 340.512 1.658 20 0 EDADRP [NH3+][C@H](c1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656455285 453197625 /nfs/dbraw/zinc/19/76/25/453197625.db2.gz BRBVPBNINIYBKN-CGTJXYLNSA-N 2 0 327.432 1.904 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662487077 453202477 /nfs/dbraw/zinc/20/24/77/453202477.db2.gz PQOVBJQLLVPLGL-HUUCEWRRSA-N 2 0 349.479 1.060 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000666924582 453250408 /nfs/dbraw/zinc/25/04/08/453250408.db2.gz IKIDYVVJDSLLDO-HNNXBMFYSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CC3([NH3+])CCC3)nc2)CC1 ZINC000646243896 453252968 /nfs/dbraw/zinc/25/29/68/453252968.db2.gz GPUGAJFXIQMOKS-UHFFFAOYSA-N 2 0 331.464 1.822 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000653108440 453291182 /nfs/dbraw/zinc/29/11/82/453291182.db2.gz XQDKQWMYGXAAHB-QGZVFWFLSA-N 2 0 336.455 1.185 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120184 453310860 /nfs/dbraw/zinc/31/08/60/453310860.db2.gz IVEBWRAGJOFFGD-IRXDYDNUSA-N 2 0 335.492 1.668 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1Cc1ccccc1 ZINC000653122339 453313251 /nfs/dbraw/zinc/31/32/51/453313251.db2.gz UFWUDDOHOLGGGD-WMEZAQDKSA-N 2 0 329.444 1.002 20 0 EDADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1)[NH+]1CCCCCC1 ZINC000646321715 453318128 /nfs/dbraw/zinc/31/81/28/453318128.db2.gz OTHQLSSEPPLOQL-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662615264 453335265 /nfs/dbraw/zinc/33/52/65/453335265.db2.gz YSWAZXRPDFCFCP-MSOLQXFVSA-N 2 0 335.492 1.524 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662615268 453335797 /nfs/dbraw/zinc/33/57/97/453335797.db2.gz YSWAZXRPDFCFCP-ROUUACIJSA-N 2 0 335.492 1.524 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000651190997 453340629 /nfs/dbraw/zinc/34/06/29/453340629.db2.gz ISXDLURBRYPVNP-UHFFFAOYSA-N 2 0 333.480 1.891 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC000667054530 453369901 /nfs/dbraw/zinc/36/99/01/453369901.db2.gz LYVASNWLJALDRA-AWEZNQCLSA-N 3 0 340.431 1.231 20 0 EDADRP COC[C@@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000660538188 453384656 /nfs/dbraw/zinc/38/46/56/453384656.db2.gz NFDDDNGDKRWSRG-VQTJNVASSA-N 2 0 347.503 1.540 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681112 453402213 /nfs/dbraw/zinc/40/22/13/453402213.db2.gz AUZAFAPFKVXSIS-NWDGAFQWSA-N 2 0 325.400 1.082 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2cc(C(C)(C)[NH3+])no2)C[C@@H](C)O1 ZINC000662690373 453410011 /nfs/dbraw/zinc/41/00/11/453410011.db2.gz ZWUUWPKAEJNPIO-CHWSQXEVSA-N 2 0 338.452 1.488 20 0 EDADRP Cc1c(C(=O)NCc2ccc(C[NH3+])cc2F)nnn1C1CC[NH2+]CC1 ZINC000653225717 453412948 /nfs/dbraw/zinc/41/29/48/453412948.db2.gz ARFYXMAQMUDKQU-UHFFFAOYSA-N 2 0 346.410 1.039 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662694315 453413687 /nfs/dbraw/zinc/41/36/87/453413687.db2.gz OXXQQFAVXWWXAV-HUUCEWRRSA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662700813 453422081 /nfs/dbraw/zinc/42/20/81/453422081.db2.gz LMEBPXIYHYYUBE-HOTGVXAUSA-N 2 0 348.495 1.443 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000664815967 453423033 /nfs/dbraw/zinc/42/30/33/453423033.db2.gz YNGBAEPBQSWZQV-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662720699 453445169 /nfs/dbraw/zinc/44/51/69/453445169.db2.gz JFXBVOMXWRQNLU-UHFFFAOYSA-N 2 0 333.476 1.763 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)n(C2CC[NH+](C)CC2)n1 ZINC000667176532 453453938 /nfs/dbraw/zinc/45/39/38/453453938.db2.gz UKEIONUKKFAFAT-ZIAGYGMSSA-N 2 0 334.468 1.850 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000664874707 453458490 /nfs/dbraw/zinc/45/84/90/453458490.db2.gz OXFPCANCXLUPGZ-QPSCCSFWSA-N 2 0 338.452 1.025 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000662737812 453463226 /nfs/dbraw/zinc/46/32/26/453463226.db2.gz CSBBKVDNYUEKCG-ZOBUZTSGSA-N 2 0 344.459 1.529 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000660696645 453521270 /nfs/dbraw/zinc/52/12/70/453521270.db2.gz TXTLTTXBBQDXAT-CALCHBBNSA-N 2 0 327.513 1.168 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660702132 453526476 /nfs/dbraw/zinc/52/64/76/453526476.db2.gz GFQJJDQXKWPDKS-IRXDYDNUSA-N 2 0 336.480 1.023 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]([NH3+])COC(C)C)cc1 ZINC000662804516 453539993 /nfs/dbraw/zinc/53/99/93/453539993.db2.gz AKCBMKPPFSSPQR-ROUUACIJSA-N 2 0 349.475 1.701 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[NH+](C)C ZINC000665043819 453550626 /nfs/dbraw/zinc/55/06/26/453550626.db2.gz MUHBAQMGUCOZRD-YOEHRIQHSA-N 2 0 334.464 1.003 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662822262 453551994 /nfs/dbraw/zinc/55/19/94/453551994.db2.gz LREAJPQOUCSPCY-HNNXBMFYSA-N 2 0 334.468 1.149 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000662824859 453553426 /nfs/dbraw/zinc/55/34/26/453553426.db2.gz YJNPGKZYGBCZIN-SFHVURJKSA-N 2 0 348.491 1.899 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838720 453563647 /nfs/dbraw/zinc/56/36/47/453563647.db2.gz NXEFTPRJBDXUOD-HZPDHXFCSA-N 2 0 346.479 1.258 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000662860407 453575342 /nfs/dbraw/zinc/57/53/42/453575342.db2.gz YOBSXIBELITTMA-SFHVURJKSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@@H]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)[C@H](C[NH3+])C1 ZINC000659011697 453580498 /nfs/dbraw/zinc/58/04/98/453580498.db2.gz XQCIGYJLDGDISM-HIFRSBDPSA-N 2 0 334.468 1.741 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CC[NH+](C)CC2)cc1F ZINC000662870936 453581746 /nfs/dbraw/zinc/58/17/46/453581746.db2.gz QDLPUAMQRCSGFV-RDJZCZTQSA-N 2 0 349.450 1.738 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662878034 453584444 /nfs/dbraw/zinc/58/44/44/453584444.db2.gz KPNJGVLBESQAQI-UKRRQHHQSA-N 2 0 343.349 1.828 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660822531 453586932 /nfs/dbraw/zinc/58/69/32/453586932.db2.gz DILACLGCMJZGBG-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660821270 453587090 /nfs/dbraw/zinc/58/70/90/453587090.db2.gz BYJHFDZUZWASQJ-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660827847 453591508 /nfs/dbraw/zinc/59/15/08/453591508.db2.gz UCMBTBDFCCRKAZ-IAGOWNOFSA-N 2 0 334.508 1.892 20 0 EDADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899866 453593195 /nfs/dbraw/zinc/59/31/95/453593195.db2.gz HJMCPVLGCGUXQZ-MOPGFXCFSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000660829808 453593474 /nfs/dbraw/zinc/59/34/74/453593474.db2.gz JLLVDZPZBIZHDM-JKSUJKDBSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659038600 453593598 /nfs/dbraw/zinc/59/35/98/453593598.db2.gz TVOJDLRRQSRLDX-CPUCHLNUSA-N 2 0 332.448 1.904 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](OC)[C@H]3CCOC3)CC2)CC1 ZINC000660834570 453597452 /nfs/dbraw/zinc/59/74/52/453597452.db2.gz ORXDTRSANAVKRF-HKUYNNGSSA-N 2 0 339.524 1.530 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000662926253 453608427 /nfs/dbraw/zinc/60/84/27/453608427.db2.gz KNGKZEORLKEISQ-GOSISDBHSA-N 2 0 332.492 1.537 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000665232115 453616576 /nfs/dbraw/zinc/61/65/76/453616576.db2.gz GFKFAEJDNDIHCH-LMMKCTJWSA-N 2 0 336.476 1.722 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000665232423 453617280 /nfs/dbraw/zinc/61/72/80/453617280.db2.gz MQUFBTGPJQYAPG-UJJTZGENSA-N 2 0 334.460 1.488 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CCO1 ZINC000662971648 453630685 /nfs/dbraw/zinc/63/06/85/453630685.db2.gz CSVCZKQVNFOYCM-KRWDZBQOSA-N 2 0 331.460 1.052 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662981643 453636428 /nfs/dbraw/zinc/63/64/28/453636428.db2.gz SWSNPZUGHCPBPL-HNNXBMFYSA-N 2 0 331.464 1.338 20 0 EDADRP C[C@@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291406 453638142 /nfs/dbraw/zinc/63/81/42/453638142.db2.gz BFCABIXRXWIGPF-ZBFHGGJFSA-N 2 0 341.459 1.784 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665290846 453638268 /nfs/dbraw/zinc/63/82/68/453638268.db2.gz MNODMQNJUMISEZ-DZGCQCFKSA-N 2 0 327.432 1.566 20 0 EDADRP [NH3+]Cc1cc(=O)[nH]c(CNC2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000665292568 453639164 /nfs/dbraw/zinc/63/91/64/453639164.db2.gz CSZUXHHDJNCHBJ-UHFFFAOYSA-N 2 0 333.358 1.147 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005655 453644085 /nfs/dbraw/zinc/64/40/85/453644085.db2.gz XFVJBZZXNPEJLX-LJCCNALRSA-N 2 0 349.519 1.757 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659280523 453698026 /nfs/dbraw/zinc/69/80/26/453698026.db2.gz IHMNINLTJYAFBD-MSOLQXFVSA-N 2 0 333.476 1.719 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000659317653 453713546 /nfs/dbraw/zinc/71/35/46/453713546.db2.gz OTTBVLPHHOCGSX-INIZCTEOSA-N 2 0 325.428 1.468 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000665554530 453746195 /nfs/dbraw/zinc/74/61/95/453746195.db2.gz NFDYXVSXGNDONV-LSDHHAIUSA-N 2 0 340.512 1.346 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cnc3n2CCC3)CC1 ZINC000657388940 453779550 /nfs/dbraw/zinc/77/95/50/453779550.db2.gz QLFCOKDCKQYKJP-UHFFFAOYSA-N 2 0 347.507 1.546 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661316906 453791055 /nfs/dbraw/zinc/79/10/55/453791055.db2.gz YMOICXRHUNJWIG-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000663505337 453811968 /nfs/dbraw/zinc/81/19/68/453811968.db2.gz IBRLHAXCJFMNPD-SJLPKXTDSA-N 3 0 338.540 1.877 20 0 EDADRP Cc1nc(C)c(Br)c(NC[C@H](C)N2CC[NH+](C)CC2)n1 ZINC000663529568 453816507 /nfs/dbraw/zinc/81/65/07/453816507.db2.gz RRHOMWSXLGOMAM-JTQLQIEISA-N 2 0 342.285 1.904 20 0 EDADRP CN(CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000614437616 486654412 /nfs/dbraw/zinc/65/44/12/486654412.db2.gz IPAYBXYVPBQXEJ-SFHVURJKSA-N 2 0 346.475 1.621 20 0 EDADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000672256759 486675987 /nfs/dbraw/zinc/67/59/87/486675987.db2.gz WNEMWLDNZCTJHR-QGZVFWFLSA-N 2 0 341.496 1.057 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000414921767 486734363 /nfs/dbraw/zinc/73/43/63/486734363.db2.gz FUEBQTKDAHGWGQ-RYUDHWBXSA-N 2 0 341.839 1.572 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000416981228 486790547 /nfs/dbraw/zinc/79/05/47/486790547.db2.gz VBVMCDHHJSRRTF-GOEBONIOSA-N 2 0 331.464 1.615 20 0 EDADRP OCC[C@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000683707236 486796475 /nfs/dbraw/zinc/79/64/75/486796475.db2.gz ZMTATJFEOYXWRW-IBGZPJMESA-N 2 0 334.460 1.792 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000680511798 486796543 /nfs/dbraw/zinc/79/65/43/486796543.db2.gz SKCTYWQQHCJDSA-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734275 486810149 /nfs/dbraw/zinc/81/01/49/486810149.db2.gz JQLKMSNHIAKUCX-SJORKVTESA-N 2 0 330.476 1.655 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000417669624 486868029 /nfs/dbraw/zinc/86/80/29/486868029.db2.gz MFFIAROWOGRURW-NXOAAHMSSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1cccc(-n2cnnn2)c1 ZINC000681141743 486948656 /nfs/dbraw/zinc/94/86/56/486948656.db2.gz PZUNDDHVQUAIKP-JKSUJKDBSA-N 2 0 343.479 1.339 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667764404 486956483 /nfs/dbraw/zinc/95/64/83/486956483.db2.gz YQORMEXIBXMDGY-VQTJNVASSA-N 2 0 329.488 1.961 20 0 EDADRP C[N@H+](CCNC(=O)Nc1cnc2c(c1)C[NH2+]CC2)Cc1ccccc1 ZINC000667793582 486967428 /nfs/dbraw/zinc/96/74/28/486967428.db2.gz FVRAYWRYQFCYHK-UHFFFAOYSA-N 2 0 339.443 1.981 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000677303447 487037410 /nfs/dbraw/zinc/03/74/10/487037410.db2.gz DJTWSDMXPSTVDL-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP OC[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000684607875 487115328 /nfs/dbraw/zinc/11/53/28/487115328.db2.gz OGZAISGUOOWTOF-MOPGFXCFSA-N 2 0 348.487 1.896 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1nn(C)cc1C ZINC000668216161 487146175 /nfs/dbraw/zinc/14/61/75/487146175.db2.gz VPLXQIAJAMNTCR-OAHLLOKOSA-N 2 0 336.484 1.608 20 0 EDADRP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C1CC[NH+](C)CC1 ZINC000673979350 487174969 /nfs/dbraw/zinc/17/49/69/487174969.db2.gz FYBOVWZZKQONMT-XJKSGUPXSA-N 2 0 328.526 1.453 20 0 EDADRP Cc1cccnc1[C@H]1CCC[C@H]([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000684956281 487200034 /nfs/dbraw/zinc/20/00/34/487200034.db2.gz WVDJWRMSBRCZPY-IRXDYDNUSA-N 2 0 330.476 1.780 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@H](C)[NH+](C)C)CCOCC1)c1ccccc1 ZINC000674246218 487222825 /nfs/dbraw/zinc/22/28/25/487222825.db2.gz GPKYLFZMMUUJDH-HOTGVXAUSA-N 2 0 333.476 1.953 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000675536498 487419626 /nfs/dbraw/zinc/41/96/26/487419626.db2.gz ONPNJEPUPZHPMC-MRXNPFEDSA-N 2 0 338.496 1.005 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669528944 485503904 /nfs/dbraw/zinc/50/39/04/485503904.db2.gz VICJIQMCGCKGHS-CBZIJGRNSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556930 485560308 /nfs/dbraw/zinc/56/03/08/485560308.db2.gz OJAVPKFXEAHNGO-DZOHQFGASA-N 2 0 330.476 1.934 20 0 EDADRP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000530576365 485561397 /nfs/dbraw/zinc/56/13/97/485561397.db2.gz RIBFRNXVSNWPEU-DNVCBOLYSA-N 2 0 331.460 1.222 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCCO1 ZINC000669570896 485592127 /nfs/dbraw/zinc/59/21/27/485592127.db2.gz JKPMWFPXXDGRMT-YESZJQIVSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000669582987 485630450 /nfs/dbraw/zinc/63/04/50/485630450.db2.gz VOCSTWZYQHSARU-IHWYPQMZSA-N 2 0 332.448 1.474 20 0 EDADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CCC[N@H+](CC)CC1 ZINC000669132590 485719133 /nfs/dbraw/zinc/71/91/33/485719133.db2.gz JFCFODYBCOPKIV-CVEARBPZSA-N 2 0 348.495 1.366 20 0 EDADRP CCn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C(C)C)CC1 ZINC000669131907 485719656 /nfs/dbraw/zinc/71/96/56/485719656.db2.gz XSSJTCNEZVYPNV-CVEARBPZSA-N 2 0 348.495 1.364 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345423811 485975139 /nfs/dbraw/zinc/97/51/39/485975139.db2.gz FEQDMIKPCFLKLG-SJORKVTESA-N 2 0 325.497 1.581 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000669396917 486055235 /nfs/dbraw/zinc/05/52/35/486055235.db2.gz BEWQQXTYHBQMPM-IBGZPJMESA-N 2 0 345.491 1.735 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000430798159 486084651 /nfs/dbraw/zinc/08/46/51/486084651.db2.gz SCFLUCLZZAPFTG-XJKSGUPXSA-N 2 0 334.468 1.005 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC[C@H]1[NH3+] ZINC000669463890 486215865 /nfs/dbraw/zinc/21/58/65/486215865.db2.gz ZNWBIUUOGSURJS-HZPDHXFCSA-N 2 0 338.496 1.400 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000669463248 486215875 /nfs/dbraw/zinc/21/58/75/486215875.db2.gz CHYGGIYVEKGCEQ-UHFFFAOYSA-N 2 0 346.475 1.195 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000669489292 486260143 /nfs/dbraw/zinc/26/01/43/486260143.db2.gz WELBFZAJOGMXPK-YOEHRIQHSA-N 2 0 338.496 1.304 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(C)([NH3+])CC2)Cc2ccccc2C1 ZINC000669496380 486270493 /nfs/dbraw/zinc/27/04/93/486270493.db2.gz HUQPRDXIFKSTGP-UHFFFAOYSA-N 2 0 330.476 1.608 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000669508990 486291485 /nfs/dbraw/zinc/29/14/85/486291485.db2.gz ZEQHMSFKCRETTI-CVEARBPZSA-N 2 0 331.391 1.693 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000090088761 491198672 /nfs/dbraw/zinc/19/86/72/491198672.db2.gz XVADTXDBQGWWSK-FUHWJXTLSA-N 2 0 345.487 1.986 20 0 EDADRP C[C@@H](C[NH2+]Cc1cncc(Br)c1)N1CC[NH+](C)CC1 ZINC000183700680 534064881 /nfs/dbraw/zinc/06/48/81/534064881.db2.gz BMSRGORQCZAHQO-LBPRGKRZSA-N 2 0 327.270 1.570 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000578050634 517459693 /nfs/dbraw/zinc/45/96/93/517459693.db2.gz PUPIDQYVHZBZBL-JKSUJKDBSA-N 2 0 326.485 1.031 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCO[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000367910906 517945614 /nfs/dbraw/zinc/94/56/14/517945614.db2.gz LZHZHIFTJLQFHI-KCQAQPDRSA-N 2 0 335.414 1.854 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000168096731 534820137 /nfs/dbraw/zinc/82/01/37/534820137.db2.gz OCVUJKYLVUXFPS-ZWKOTPCHSA-N 2 0 331.460 1.300 20 0 EDADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000178119815 534851694 /nfs/dbraw/zinc/85/16/94/534851694.db2.gz RGHUUZBDTWRIAU-AWEZNQCLSA-N 2 0 328.464 1.726 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC1 ZINC000333458022 535331054 /nfs/dbraw/zinc/33/10/54/535331054.db2.gz YPQYHZMMOLAYIW-XIRDDKMYSA-N 2 0 338.496 1.255 20 0 EDADRP CC[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+](CC)CC ZINC000345286909 535407807 /nfs/dbraw/zinc/40/78/07/535407807.db2.gz FIILFAPJYOMVHC-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH2+]CC1CC[NH+](Cc2c(C)nn(CC(=O)OCC)c2C)CC1 ZINC000261959758 535458859 /nfs/dbraw/zinc/45/88/59/535458859.db2.gz PAYWLVQOZCUJCI-UHFFFAOYSA-N 2 0 336.480 1.885 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000262453223 535523612 /nfs/dbraw/zinc/52/36/12/535523612.db2.gz ZXOKDOJTUHSAFF-QAETUUGQSA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261756133 535543807 /nfs/dbraw/zinc/54/38/07/535543807.db2.gz HQLDIPOGUKTLDX-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cnn(C)c1C ZINC000340135411 535593075 /nfs/dbraw/zinc/59/30/75/535593075.db2.gz RTMGKJQXRRZFKI-SFHVURJKSA-N 2 0 349.523 1.536 20 0 EDADRP CCCn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1 ZINC000123847372 535612240 /nfs/dbraw/zinc/61/22/40/535612240.db2.gz FLCUMQJKGNYVBL-UHFFFAOYSA-N 2 0 343.475 1.874 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000340374835 535663875 /nfs/dbraw/zinc/66/38/75/535663875.db2.gz POTHDKWNBBFRAD-IEBWSBKVSA-N 2 0 330.476 1.186 20 0 EDADRP CC[C@@H](C)[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000271081707 535680551 /nfs/dbraw/zinc/68/05/51/535680551.db2.gz RCYXMXSULFJHTD-NVXWUHKLSA-N 2 0 334.464 1.117 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236950944 535711520 /nfs/dbraw/zinc/71/15/20/535711520.db2.gz PQAIBUDJOTVWBT-CSNJMZFVSA-N 2 0 336.524 1.297 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC000246329312 535731553 /nfs/dbraw/zinc/73/15/53/535731553.db2.gz JQOROADRDKFOCR-ZJPYXAASSA-N 2 0 336.524 1.486 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)c2)CC1 ZINC000333332439 535752362 /nfs/dbraw/zinc/75/23/62/535752362.db2.gz ONRJZXYMXWESQQ-IYBDPMFKSA-N 2 0 343.475 1.512 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261702249 535902665 /nfs/dbraw/zinc/90/26/65/535902665.db2.gz INGLCXVXKBBKBK-FUHWJXTLSA-N 2 0 333.476 1.803 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262228631 536049327 /nfs/dbraw/zinc/04/93/27/536049327.db2.gz NQFOMMIVRUJANL-FUHIMQAGSA-N 2 0 345.487 1.897 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000347808660 536469125 /nfs/dbraw/zinc/46/91/25/536469125.db2.gz ILVWZCRFOORGSG-QRVBRYPASA-N 2 0 343.471 1.583 20 0 EDADRP COCCOc1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262122189 536707904 /nfs/dbraw/zinc/70/79/04/536707904.db2.gz XIZQTWNMVVGCRS-QGZVFWFLSA-N 2 0 349.475 1.531 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000345573488 536747972 /nfs/dbraw/zinc/74/79/72/536747972.db2.gz OZSCRHPRDUUBTL-GASCZTMLSA-N 2 0 325.497 1.865 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1 ZINC000347314426 536776307 /nfs/dbraw/zinc/77/63/07/536776307.db2.gz RCYZNEVNARIXJS-XHSDSOJGSA-N 2 0 342.528 1.713 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000333673878 536892947 /nfs/dbraw/zinc/89/29/47/536892947.db2.gz NPJAGWAPSPDIAY-UBDQQSCGSA-N 2 0 344.459 1.144 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCN(c2cc[nH+]cc2)CC1 ZINC000727069913 578513322 /nfs/dbraw/zinc/51/33/22/578513322.db2.gz NKWUMZKKDMDZLP-UHFFFAOYSA-N 2 0 335.521 1.666 20 0 EDADRP Cc1occc1C(=O)NC1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000727587159 578535023 /nfs/dbraw/zinc/53/50/23/578535023.db2.gz ZOAQJGWAWFFRQY-MRXNPFEDSA-N 2 0 335.448 1.239 20 0 EDADRP CCOC(=O)CN1CCCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729357049 578565364 /nfs/dbraw/zinc/56/53/64/578565364.db2.gz RITCKOJAKKSNES-UHFFFAOYSA-N 2 0 339.480 1.350 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@H]3CO)cc2)CC1 ZINC000729543370 578581576 /nfs/dbraw/zinc/58/15/76/578581576.db2.gz QUDFBTIKZORSPC-SFHVURJKSA-N 2 0 346.475 1.224 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CCN2CCOCC2)c1 ZINC000732120767 578692953 /nfs/dbraw/zinc/69/29/53/578692953.db2.gz NHIDXTSFIVCUIN-UHFFFAOYSA-N 2 0 333.476 1.865 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736769831 579018903 /nfs/dbraw/zinc/01/89/03/579018903.db2.gz UBVWTYKPRZETDR-UHFFFAOYSA-N 2 0 330.436 1.409 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000746257894 579582531 /nfs/dbraw/zinc/58/25/31/579582531.db2.gz HKZYADOOCWWXJA-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](CC)CC ZINC000746260370 579582675 /nfs/dbraw/zinc/58/26/75/579582675.db2.gz XCXPKGBXPBFPHA-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000746313368 579586517 /nfs/dbraw/zinc/58/65/17/579586517.db2.gz FTQJDUSLQZYWPL-JYJNAYRXSA-N 2 0 326.485 1.079 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000747962014 579664518 /nfs/dbraw/zinc/66/45/18/579664518.db2.gz PICXRNIGWCTLNA-INIZCTEOSA-N 2 0 339.505 1.540 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cccc(F)n1 ZINC000749238685 579718764 /nfs/dbraw/zinc/71/87/64/579718764.db2.gz FYYOJTZRLZAJSW-UHFFFAOYSA-N 2 0 339.459 1.636 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000749565986 579730707 /nfs/dbraw/zinc/73/07/07/579730707.db2.gz UWLAIJMMHBXWRI-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP CN(C[C@H](O)C[NH+]1CCCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000750184994 579755014 /nfs/dbraw/zinc/75/50/14/579755014.db2.gz GZUXSYQWJNZANA-FQEVSTJZSA-N 2 0 346.519 1.477 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2nnc3ccccn32)[C@H](C)C1 ZINC000764639573 580125385 /nfs/dbraw/zinc/12/53/85/580125385.db2.gz QIXGELMCNTYBFI-IAGOWNOFSA-N 2 0 345.491 1.998 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](CO)C3CC3)cc2)CC1 ZINC000771802965 580294563 /nfs/dbraw/zinc/29/45/63/580294563.db2.gz MFLKZOGNKMILBG-SFHVURJKSA-N 2 0 346.475 1.128 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]C[C@](C)(O)C[NH+](C)C)CC2)cc1 ZINC000773100389 580326984 /nfs/dbraw/zinc/32/69/84/580326984.db2.gz WFZLXRDKWIQGJC-IBGZPJMESA-N 2 0 334.508 1.624 20 0 EDADRP CC(C)(C)[C@@]1(C)NC(=O)N(CN2CCC[C@H](n3ccnc3)C2)C1=O ZINC000773300604 580332993 /nfs/dbraw/zinc/33/29/93/580332993.db2.gz ANQRBZQWFHLSPX-GUYCJALGSA-N 2 0 333.436 1.834 20 0 EDADRP C[C@@H](NC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000793720635 580853643 /nfs/dbraw/zinc/85/36/43/580853643.db2.gz GWWYDNSXBZXAQZ-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H](CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[NH+]1CCCCC1 ZINC000793720632 580853651 /nfs/dbraw/zinc/85/36/51/580853651.db2.gz GWWYDNSXBZXAQZ-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000796639744 580958745 /nfs/dbraw/zinc/95/87/45/580958745.db2.gz OASQLCOZZZQLRM-RYRKJORJSA-N 2 0 333.476 1.732 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC[S@](C)=O)CC1 ZINC000798198039 580990520 /nfs/dbraw/zinc/99/05/20/580990520.db2.gz YAJYMTDHFNYGIF-PSLXWICFSA-N 2 0 341.496 1.997 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)OC[C@H]3C2)cc1 ZINC000798958005 581012334 /nfs/dbraw/zinc/01/23/34/581012334.db2.gz WSMSSNRAGOAYKS-WBVHZDCISA-N 2 0 333.432 1.557 20 0 EDADRP O=C1CC[C@H]([NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)C(=O)N1 ZINC000799147844 581019160 /nfs/dbraw/zinc/01/91/60/581019160.db2.gz PSSILIPPHPNCMU-KRWDZBQOSA-N 2 0 341.455 1.780 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891841132 590648631 /nfs/dbraw/zinc/64/86/31/590648631.db2.gz FKPXNZMBQZISSA-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000891857288 590657794 /nfs/dbraw/zinc/65/77/94/590657794.db2.gz UJPRTHPXSUJUCI-CHWSQXEVSA-N 2 0 336.402 1.797 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)CCC(F)(F)F ZINC000891857291 590657957 /nfs/dbraw/zinc/65/79/57/590657957.db2.gz UJPRTHPXSUJUCI-QWHCGFSZSA-N 2 0 336.402 1.797 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000891856584 590658057 /nfs/dbraw/zinc/65/80/57/590658057.db2.gz RZSQHOLNTAPFKY-NJAFHUGGSA-N 2 0 346.475 1.409 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891858243 590658977 /nfs/dbraw/zinc/65/89/77/590658977.db2.gz NFLLAXBYMWKPHM-CYBMUJFWSA-N 2 0 330.423 1.405 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1(C)C ZINC000891881015 590668498 /nfs/dbraw/zinc/66/84/98/590668498.db2.gz SCIMQWXPUGOMTJ-HNNXBMFYSA-N 2 0 339.528 1.090 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891956445 590706853 /nfs/dbraw/zinc/70/68/53/590706853.db2.gz QKVUDDWWZPSTHU-MAUKXSAKSA-N 2 0 330.476 1.732 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC1CC[NH2+]CC1 ZINC000891958127 590707423 /nfs/dbraw/zinc/70/74/23/590707423.db2.gz BUNDPUSTXQVQIZ-RDJZCZTQSA-N 2 0 330.476 1.806 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957135 590707552 /nfs/dbraw/zinc/70/75/52/590707552.db2.gz UIYXBCVBJLNUQL-JKSUJKDBSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000892006110 590739682 /nfs/dbraw/zinc/73/96/82/590739682.db2.gz WOTVRRYDXZPNMX-KBAYOESNSA-N 2 0 330.476 1.806 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]([NH3+])c1ccccc1)C2 ZINC000892031284 590759335 /nfs/dbraw/zinc/75/93/35/590759335.db2.gz USTRHWIBDWGFFO-GFCCVEGCSA-N 2 0 331.445 1.370 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892045478 590769637 /nfs/dbraw/zinc/76/96/37/590769637.db2.gz SVGLCKWXXQUUPO-RYQLBKOJSA-N 2 0 330.476 1.745 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892055268 590775314 /nfs/dbraw/zinc/77/53/14/590775314.db2.gz XNKGHOSPXSGJOB-VDZJLULYSA-N 2 0 330.476 1.887 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)C2)cc1 ZINC000892095934 590795432 /nfs/dbraw/zinc/79/54/32/590795432.db2.gz ZBWKZMULPBZVLU-BPQIPLTHSA-N 2 0 330.476 1.867 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117977 590808238 /nfs/dbraw/zinc/80/82/38/590808238.db2.gz BENJVOKZJQLOCV-RDJZCZTQSA-N 2 0 346.475 1.018 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892188474 590855010 /nfs/dbraw/zinc/85/50/10/590855010.db2.gz RGNBVCPJVHYSEP-QBPKDAKJSA-N 2 0 343.475 1.690 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)c(F)c1 ZINC000892226546 590873055 /nfs/dbraw/zinc/87/30/55/590873055.db2.gz XLMJHUBPVVAHBV-LBPRGKRZSA-N 2 0 330.354 1.328 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000892290517 590918082 /nfs/dbraw/zinc/91/80/82/590918082.db2.gz HXHVCUPVXHHIRL-UHFFFAOYSA-N 2 0 340.512 1.792 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CCC2)CO1 ZINC000890476984 590951924 /nfs/dbraw/zinc/95/19/24/590951924.db2.gz ZDYJGXXNGFTUTG-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)[NH2+]C1 ZINC000892385963 591004885 /nfs/dbraw/zinc/00/48/85/591004885.db2.gz XIHWZMXZMANZRL-XHSDSOJGSA-N 2 0 338.496 1.302 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@H]1OC ZINC000892397357 591009727 /nfs/dbraw/zinc/00/97/27/591009727.db2.gz LZKDQQXCYRKFIA-XUVXKRRUSA-N 2 0 348.487 1.925 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000892410391 591016550 /nfs/dbraw/zinc/01/65/50/591016550.db2.gz APIDYDFDOGKXEF-LSDHHAIUSA-N 2 0 340.418 1.491 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)CC[C@@H]21 ZINC000892414735 591018933 /nfs/dbraw/zinc/01/89/33/591018933.db2.gz QGQXQRFUSLJPEJ-SQNIBIBYSA-N 2 0 330.476 1.682 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000892433969 591026986 /nfs/dbraw/zinc/02/69/86/591026986.db2.gz JDJZPJTZAGLVMY-KSWRQPAISA-N 2 0 338.496 1.432 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892442961 591030300 /nfs/dbraw/zinc/03/03/00/591030300.db2.gz PXPAIRXILSEZNT-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000891339530 591049444 /nfs/dbraw/zinc/04/94/44/591049444.db2.gz FNFDJGMFYBSCIZ-WKILWMFISA-N 2 0 345.491 1.863 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000892529920 591059787 /nfs/dbraw/zinc/05/97/87/591059787.db2.gz FVLPMTXCMRKSFK-KURKYZTESA-N 2 0 328.460 1.573 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1ccco1 ZINC000891447823 591075070 /nfs/dbraw/zinc/07/50/70/591075070.db2.gz YABWUEJEDRIJKP-RLFYNMQTSA-N 2 0 334.464 1.913 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891526919 591107305 /nfs/dbraw/zinc/10/73/05/591107305.db2.gz GCZKNRFWPNODBO-CRAIPNDOSA-N 2 0 339.528 1.029 20 0 EDADRP COCC[NH+](CCOC)C1CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000893837120 591109263 /nfs/dbraw/zinc/10/92/63/591109263.db2.gz DNJAYITUDSIPHF-UHFFFAOYSA-N 2 0 342.871 1.881 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891536654 591113980 /nfs/dbraw/zinc/11/39/80/591113980.db2.gz FHTIQYVHCKXQIZ-CRAIPNDOSA-N 2 0 340.512 1.504 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000893914225 591135505 /nfs/dbraw/zinc/13/55/05/591135505.db2.gz LJNWEIJDZCFQGP-OAHLLOKOSA-N 2 0 349.479 1.306 20 0 EDADRP C[N@H+](CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)Cc1ccc(F)cc1 ZINC000891644719 591162650 /nfs/dbraw/zinc/16/26/50/591162650.db2.gz CSXDPUXQTBWGQU-AEFFLSMTSA-N 2 0 334.439 1.841 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892760847 591165264 /nfs/dbraw/zinc/16/52/64/591165264.db2.gz QSGLOJKJUYTZBN-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000892788103 591178797 /nfs/dbraw/zinc/17/87/97/591178797.db2.gz BHUCOTPFQSKVDW-OALUTQOASA-N 2 0 342.487 1.732 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891674325 591179271 /nfs/dbraw/zinc/17/92/71/591179271.db2.gz WXCKEARFFHFPGJ-QZTJIDSGSA-N 2 0 330.476 1.875 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000891694395 591187822 /nfs/dbraw/zinc/18/78/22/591187822.db2.gz MVAMEOFIYBFYOK-PVAVHDDUSA-N 2 0 338.496 1.277 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892858642 591207493 /nfs/dbraw/zinc/20/74/93/591207493.db2.gz MTMFHKHJVYEJLS-HZPDHXFCSA-N 2 0 339.528 1.314 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CCCC[C@@]3(CC[NH2+]C3)C1)C2 ZINC000892876262 591212409 /nfs/dbraw/zinc/21/24/09/591212409.db2.gz CWTXQEGRNNGYGZ-KRWDZBQOSA-N 2 0 349.504 1.546 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000892884446 591216145 /nfs/dbraw/zinc/21/61/45/591216145.db2.gz IIJSGEDJQLHRRB-UHFFFAOYSA-N 2 0 342.528 1.953 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000891777130 591221730 /nfs/dbraw/zinc/22/17/30/591221730.db2.gz LZCYHBGTWBUNDY-UONOGXRCSA-N 2 0 332.439 1.795 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3CCO)C1 ZINC000895656194 591241432 /nfs/dbraw/zinc/24/14/32/591241432.db2.gz YDRBIRLYDBSYKS-ARFHVFGLSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C2C[NH+](C3CCOCC3)C2)([NH+](C)C)C1 ZINC000895834978 591285214 /nfs/dbraw/zinc/28/52/14/591285214.db2.gz VADBOPKRSBLDHZ-BEFAXECRSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@@H]2CCOC2)CC1 ZINC000894424863 591308663 /nfs/dbraw/zinc/30/86/63/591308663.db2.gz AODAFIFOOUUBBF-IAGOWNOFSA-N 2 0 339.480 1.698 20 0 EDADRP CCn1cc(CN2CCC([NH+](CCOC)CCOC)CC2)c(C)n1 ZINC000894421824 591310748 /nfs/dbraw/zinc/31/07/48/591310748.db2.gz GBWZBRBVRPNGBQ-UHFFFAOYSA-N 2 0 338.496 1.771 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000895964361 591313830 /nfs/dbraw/zinc/31/38/30/591313830.db2.gz NGVPAXSNYYXQIE-INIZCTEOSA-N 2 0 338.496 1.149 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000895991647 591315685 /nfs/dbraw/zinc/31/56/85/591315685.db2.gz XZLCWDDDTZZEKG-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc2nc[nH]c21 ZINC000896041821 591329376 /nfs/dbraw/zinc/32/93/76/591329376.db2.gz BLCDCHWFYBXHFF-CQSZACIVSA-N 2 0 344.463 1.446 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000896257395 591400214 /nfs/dbraw/zinc/40/02/14/591400214.db2.gz DRVWPANBYIFRCJ-KZNAEPCWSA-N 2 0 331.460 1.516 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898596725 591430338 /nfs/dbraw/zinc/43/03/38/591430338.db2.gz YCWDJGMJMPSEHW-UHFFFAOYSA-N 2 0 347.507 1.887 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000897466447 591468102 /nfs/dbraw/zinc/46/81/02/591468102.db2.gz UQKBUZQJCFBIAD-IRXDYDNUSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000897469706 591471294 /nfs/dbraw/zinc/47/12/94/591471294.db2.gz PBZNNQQSXOIUOQ-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CCCC[NH+](C)C2)CC1 ZINC000897548832 591547742 /nfs/dbraw/zinc/54/77/42/591547742.db2.gz OYKQCIORZJLENN-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP C[C@H](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896795751 591614000 /nfs/dbraw/zinc/61/40/00/591614000.db2.gz DMOGOZBYJMNOEL-APWZRJJASA-N 2 0 345.487 1.734 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000897698124 591621778 /nfs/dbraw/zinc/62/17/78/591621778.db2.gz NJRFOVZDGIKDHS-AEFFLSMTSA-N 2 0 347.459 1.135 20 0 EDADRP C[C@@H](Cc1cccnc1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000897969636 591726532 /nfs/dbraw/zinc/72/65/32/591726532.db2.gz LYMQYHFESLJZIB-KRWDZBQOSA-N 2 0 332.492 1.399 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCc2cccc3c2OCCO3)CC1 ZINC000897210161 591769510 /nfs/dbraw/zinc/76/95/10/591769510.db2.gz MSJGPVJBKHUSKL-UHFFFAOYSA-N 2 0 334.460 1.825 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000898067304 591772469 /nfs/dbraw/zinc/77/24/69/591772469.db2.gz CSXJPGDXOSNBML-GOSISDBHSA-N 2 0 337.464 1.698 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)[nH]n1 ZINC000897235968 591781060 /nfs/dbraw/zinc/78/10/60/591781060.db2.gz VITMAFYHPNZNFW-YOEHRIQHSA-N 2 0 349.479 1.143 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898115868 591786810 /nfs/dbraw/zinc/78/68/10/591786810.db2.gz WOYCZFFVSVSDDF-AWEZNQCLSA-N 2 0 325.497 1.506 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000897264146 591794882 /nfs/dbraw/zinc/79/48/82/591794882.db2.gz VCHAUUJNJUPNHP-IKGGRYGDSA-N 2 0 336.524 1.344 20 0 EDADRP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602894 591815164 /nfs/dbraw/zinc/81/51/64/591815164.db2.gz FSIOPNOEJGNQBD-OAGGEKHMSA-N 2 0 342.528 1.713 20 0 EDADRP C[C@H](CNC(=O)N1CCC12CC[NH+](C)CC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895604416 591816422 /nfs/dbraw/zinc/81/64/22/591816422.db2.gz BDTSUHNVRISRPP-OAGGEKHMSA-N 2 0 338.496 1.364 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000900002958 591861366 /nfs/dbraw/zinc/86/13/66/591861366.db2.gz ZTCJYBJZEKYMLI-IEBWSBKVSA-N 2 0 331.460 1.354 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900016169 591868642 /nfs/dbraw/zinc/86/86/42/591868642.db2.gz MINKKESOVRNCML-MJGOQNOKSA-N 2 0 333.476 1.600 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900208031 591942636 /nfs/dbraw/zinc/94/26/36/591942636.db2.gz CBIFUSXYPQIKGM-UHFFFAOYSA-N 2 0 342.487 1.146 20 0 EDADRP Cc1cn2c(n1)C[C@H](C(=O)N1CCN(c3cc[nH+]cc3)C[C@H]1C)CC2 ZINC000899808605 591946006 /nfs/dbraw/zinc/94/60/06/591946006.db2.gz AETQNUREVZXXER-HZPDHXFCSA-N 2 0 339.443 1.886 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899813399 591948359 /nfs/dbraw/zinc/94/83/59/591948359.db2.gz VOXJFQYVCZREKE-HNNXBMFYSA-N 2 0 344.459 1.230 20 0 EDADRP CCn1cc(CN2CC[C@@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)nn1 ZINC000899885516 591971890 /nfs/dbraw/zinc/97/18/90/591971890.db2.gz DANJZKCSFKATEF-GOSISDBHSA-N 2 0 344.463 1.798 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1([NH3+])CC1 ZINC000902362988 591986978 /nfs/dbraw/zinc/98/69/78/591986978.db2.gz JQOKCCKNHQVPML-JTQLQIEISA-N 2 0 326.238 1.648 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900339889 591989045 /nfs/dbraw/zinc/98/90/45/591989045.db2.gz SPPXEIZTLIMDPQ-CRAIPNDOSA-N 3 0 343.475 1.789 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900352967 591993013 /nfs/dbraw/zinc/99/30/13/591993013.db2.gz KEESAIWWTKRPPJ-UIBIWLFHSA-N 2 0 325.497 1.316 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CC[NH+](CC2CCOCC2)CC1 ZINC000900761285 592109316 /nfs/dbraw/zinc/10/93/16/592109316.db2.gz QCHVSQIERKIHPI-ZWKOTPCHSA-N 2 0 335.492 1.574 20 0 EDADRP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903173276 592130545 /nfs/dbraw/zinc/13/05/45/592130545.db2.gz XYWTVGRTZINJNX-RZXJGNPJSA-N 2 0 333.476 1.560 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)C1 ZINC000903200398 592134310 /nfs/dbraw/zinc/13/43/10/592134310.db2.gz RRODTWPPVCYLPG-QRVBRYPASA-N 2 0 332.444 1.291 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000900828079 592139664 /nfs/dbraw/zinc/13/96/64/592139664.db2.gz LIXPSKZTXXXHFF-INIZCTEOSA-N 2 0 325.497 1.628 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000903464329 592172340 /nfs/dbraw/zinc/17/23/40/592172340.db2.gz IUNQXZHRIYGBJV-RCSLCFTFSA-N 2 0 341.402 1.535 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000903492952 592185605 /nfs/dbraw/zinc/18/56/05/592185605.db2.gz MQZKMFSUMKBTIR-FCEWJHQRSA-N 2 0 340.427 1.585 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C1CC1)C1CCCC1)C2 ZINC000903493153 592185815 /nfs/dbraw/zinc/18/58/15/592185815.db2.gz VRBWATJOXVJUJN-KSMMKXTCSA-N 2 0 349.475 1.132 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901024597 592202629 /nfs/dbraw/zinc/20/26/29/592202629.db2.gz YOPZMYUIJVJPSV-AQEOSJORSA-N 2 0 337.508 1.722 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649290 592234121 /nfs/dbraw/zinc/23/41/21/592234121.db2.gz BTRCXJZQNBTUJI-ZDUSSCGKSA-N 2 0 334.464 1.665 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000904380856 592246562 /nfs/dbraw/zinc/24/65/62/592246562.db2.gz ISAVKOHWTFVJLJ-KRWDZBQOSA-N 3 0 348.491 1.280 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000906665265 592247013 /nfs/dbraw/zinc/24/70/13/592247013.db2.gz UJSLJOAGWNJQIX-OAHLLOKOSA-N 2 0 330.432 1.171 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000906667147 592249114 /nfs/dbraw/zinc/24/91/14/592249114.db2.gz CQGKCUSQAMISQI-UHFFFAOYSA-N 2 0 330.432 1.217 20 0 EDADRP C[N@H+](CCCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CC1 ZINC000906667026 592249278 /nfs/dbraw/zinc/24/92/78/592249278.db2.gz AMSZZIJRLDOZNN-UHFFFAOYSA-N 2 0 346.475 1.810 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000907991253 592252228 /nfs/dbraw/zinc/25/22/28/592252228.db2.gz QGWFSRREEVCYDS-MSOLQXFVSA-N 2 0 337.508 1.822 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](CCN(C)C)CC2)C1 ZINC000906680532 592262114 /nfs/dbraw/zinc/26/21/14/592262114.db2.gz XZIMROUGTTZHIT-SFHVURJKSA-N 2 0 338.540 1.498 20 0 EDADRP [NH3+]C1(CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC1 ZINC000904537667 592282290 /nfs/dbraw/zinc/28/22/90/592282290.db2.gz FFJHWBBDEIAWKF-INIZCTEOSA-N 2 0 329.448 1.584 20 0 EDADRP O=C(CC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903723630 592284273 /nfs/dbraw/zinc/28/42/73/592284273.db2.gz XDLMJPSZRRSWKN-MJGOQNOKSA-N 2 0 335.492 1.480 20 0 EDADRP CCCCCNC(=O)C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725425 592284981 /nfs/dbraw/zinc/28/49/81/592284981.db2.gz ZMOXQOGWSVXUTI-MJGOQNOKSA-N 2 0 337.508 1.773 20 0 EDADRP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725168 592285286 /nfs/dbraw/zinc/28/52/86/592285286.db2.gz XOHZTWCZFAIODJ-IAGOWNOFSA-N 2 0 335.492 1.383 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000904582440 592286896 /nfs/dbraw/zinc/28/68/96/592286896.db2.gz OMENXEWGYSWYDW-KGLIPLIRSA-N 2 0 334.464 1.799 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000903745756 592292595 /nfs/dbraw/zinc/29/25/95/592292595.db2.gz QDKSXETVKRECIE-WCVJEAGWSA-N 2 0 337.489 1.667 20 0 EDADRP COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753779 592296618 /nfs/dbraw/zinc/29/66/18/592296618.db2.gz YDCNMFTUJWECBW-CVEARBPZSA-N 2 0 340.464 1.189 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000906722022 592312210 /nfs/dbraw/zinc/31/22/10/592312210.db2.gz PNGXJXQWWQWEFE-UHFFFAOYSA-N 2 0 346.475 1.667 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903793052 592316452 /nfs/dbraw/zinc/31/64/52/592316452.db2.gz LOYNTBOBRHPJOP-OALUTQOASA-N 3 0 329.488 1.748 20 0 EDADRP C[C@@H](C(=O)Nc1ncccn1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793421 592317500 /nfs/dbraw/zinc/31/75/00/592317500.db2.gz CUCGBJFNDXJGFC-HNNXBMFYSA-N 2 0 339.443 1.796 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782686 592321357 /nfs/dbraw/zinc/32/13/57/592321357.db2.gz QPNVTKLVNSQSIA-MOPGFXCFSA-N 2 0 345.487 1.800 20 0 EDADRP c1ccc([C@]23COC[C@H]2C[N@@H+](C[C@@H]2C[C@@]4(CC[NH2+]C4)CO2)C3)cc1 ZINC000903784001 592321793 /nfs/dbraw/zinc/32/17/93/592321793.db2.gz IROJZZJYFDCGLP-WCIQWLHISA-N 2 0 328.456 1.655 20 0 EDADRP C[C@]1([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)COC(=O)N1 ZINC000903785964 592322028 /nfs/dbraw/zinc/32/20/28/592322028.db2.gz CVSVEGKFFXWGBG-HLLBOEOZSA-N 2 0 337.464 1.356 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)N(C)CCCC[NH+]1CCCCC1)C(C)C ZINC000903820501 592333093 /nfs/dbraw/zinc/33/30/93/592333093.db2.gz QURZBPHJNXDBHX-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908151453 592339103 /nfs/dbraw/zinc/33/91/03/592339103.db2.gz LLFJQYLGUBORFN-UGXKVIGPSA-N 2 0 349.519 1.963 20 0 EDADRP CCOc1ccc(CN(C)C(=O)CN2CC[C@H]3CC[C@]32C[NH3+])cc1 ZINC000903852685 592345242 /nfs/dbraw/zinc/34/52/42/592345242.db2.gz BTBYSQOHIQAMRM-APWZRJJASA-N 2 0 331.460 1.857 20 0 EDADRP CCn1cc(C2CC[NH+](C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)cn1 ZINC000903889189 592351617 /nfs/dbraw/zinc/35/16/17/592351617.db2.gz PRNPOUNHXHXDPL-INIZCTEOSA-N 2 0 344.507 1.942 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CC[N@H+](C)C[C@H]2c2ccccc2)cnn1C ZINC000903872776 592354503 /nfs/dbraw/zinc/35/45/03/592354503.db2.gz CGXHQAPFGXDSHT-PXNSSMCTSA-N 2 0 341.503 1.835 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cnn1C ZINC000903905388 592372507 /nfs/dbraw/zinc/37/25/07/592372507.db2.gz DOMUUJAYPRRSLI-AHRSYUTCSA-N 2 0 341.503 1.520 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](C)[NH2+]Cc3ccc(F)cc32)cnn1C ZINC000903918724 592376784 /nfs/dbraw/zinc/37/67/84/592376784.db2.gz GFBHKCMUDHHMNO-HIFRSBDPSA-N 2 0 345.466 1.983 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2cccc(-n3cncn3)c2)cnn1C ZINC000903920645 592377121 /nfs/dbraw/zinc/37/71/21/592377121.db2.gz KQMKTZPSOTWWJA-INIZCTEOSA-N 2 0 339.447 1.216 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000903937282 592387002 /nfs/dbraw/zinc/38/70/02/592387002.db2.gz HBEXFOIRDYXLLO-NVXWUHKLSA-N 3 0 332.496 1.605 20 0 EDADRP CCOc1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1F ZINC000903977375 592399653 /nfs/dbraw/zinc/39/96/53/592399653.db2.gz PWIMCNMRKLRWDS-IYOUNJFTSA-N 2 0 336.407 1.937 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905071048 592402611 /nfs/dbraw/zinc/40/26/11/592402611.db2.gz MTFCKRDDOAGUSB-SLFFLAALSA-N 2 0 348.487 1.533 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073463 592403066 /nfs/dbraw/zinc/40/30/66/592403066.db2.gz WRUGZTZWCBLINL-RTBURBONSA-N 2 0 348.487 1.391 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905113086 592412671 /nfs/dbraw/zinc/41/26/71/592412671.db2.gz XIJQKWBXBWXJSS-ROUUACIJSA-N 2 0 341.540 1.296 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@H]3C[NH2+]CC3(C)C)n2)ccn1 ZINC000904098270 592424595 /nfs/dbraw/zinc/42/45/95/592424595.db2.gz RQXUCJOEQSYFJQ-CYBMUJFWSA-N 2 0 331.420 1.785 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000905178179 592456903 /nfs/dbraw/zinc/45/69/03/592456903.db2.gz ZXXGCNPVBJFXIK-ZACQAIPSSA-N 2 0 326.481 1.010 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000905213726 592469311 /nfs/dbraw/zinc/46/93/11/592469311.db2.gz GDFZRYUHSQTOIU-MRXNPFEDSA-N 2 0 334.464 1.026 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000907089773 592516005 /nfs/dbraw/zinc/51/60/05/592516005.db2.gz GNHFGVNUPSPFSB-XWTMOSNGSA-N 2 0 337.508 1.819 20 0 EDADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905436290 592534172 /nfs/dbraw/zinc/53/41/72/592534172.db2.gz WQIGLQLASMZCGE-RDJZCZTQSA-N 2 0 349.475 1.107 20 0 EDADRP OC[C@H](C[C@@H]1CCCO1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000905458894 592541144 /nfs/dbraw/zinc/54/11/44/592541144.db2.gz CXMDPCWKAAVLNU-FHWLQOOXSA-N 2 0 334.460 1.143 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500973 592545748 /nfs/dbraw/zinc/54/57/48/592545748.db2.gz DGHQDFOQXYKBOM-FPAYPSAMSA-N 2 0 346.475 1.480 20 0 EDADRP CC(=O)CCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C)[C@@H]2C)cc1 ZINC000905541865 592557190 /nfs/dbraw/zinc/55/71/90/592557190.db2.gz RJVOCGGZUQSBRK-SZVBFZGTSA-N 2 0 334.460 1.630 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=S)NCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000905526886 592562117 /nfs/dbraw/zinc/56/21/17/592562117.db2.gz UKHVQYCUVKOOJD-GASCZTMLSA-N 2 0 342.553 1.244 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000905666913 592601215 /nfs/dbraw/zinc/60/12/15/592601215.db2.gz BXDLVJUEFZNOEN-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)c1ccccc1 ZINC000905764489 592639412 /nfs/dbraw/zinc/63/94/12/592639412.db2.gz RJNGBSPUGVQLLM-IBGZPJMESA-N 2 0 346.519 1.679 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[NH+]1C)C1CC1 ZINC000907501559 592675991 /nfs/dbraw/zinc/67/59/91/592675991.db2.gz BTRCAOOIPVSRNW-QWFCFKBJSA-N 2 0 345.487 1.468 20 0 EDADRP C[C@@](O)(C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000905877585 592678144 /nfs/dbraw/zinc/67/81/44/592678144.db2.gz RQZQKOHJYJKNBG-QGZVFWFLSA-N 2 0 327.419 1.410 20 0 EDADRP CCn1ccnc1[C@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907937612 592849856 /nfs/dbraw/zinc/84/98/56/592849856.db2.gz FTTSVMKTRVIGEC-CRAIPNDOSA-N 2 0 334.464 1.803 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000911302301 592984712 /nfs/dbraw/zinc/98/47/12/592984712.db2.gz JHYHBRQLCYVPMW-ZWKOTPCHSA-N 2 0 336.524 1.345 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911830462 593018580 /nfs/dbraw/zinc/01/85/80/593018580.db2.gz ARLIISCQTQMKKF-ISOBSLSZSA-N 2 0 329.366 1.607 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc2c(c1)COC(=O)N2 ZINC000912303571 593085006 /nfs/dbraw/zinc/08/50/06/593085006.db2.gz LCEJFEBHHMBNKB-ZDUSSCGKSA-N 2 0 348.447 1.751 20 0 EDADRP CCN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000912399182 593092985 /nfs/dbraw/zinc/09/29/85/593092985.db2.gz TZRBOJZJWINFRU-ABHNRTSZSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000912466144 593097017 /nfs/dbraw/zinc/09/70/17/593097017.db2.gz ULCZDLWTYFYBGI-GGPKGHCWSA-N 2 0 345.487 1.217 20 0 EDADRP CO[C@@H](C)CN(C)CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O ZINC000840082066 593136043 /nfs/dbraw/zinc/13/60/43/593136043.db2.gz YOJMUSSXIPKDTN-BHYGNILZSA-N 2 0 345.443 1.028 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+][C@@H](CO)c3ccnn3C)CC2)cc1 ZINC000839178883 593271505 /nfs/dbraw/zinc/27/15/05/593271505.db2.gz IOTJFVZTMNFUNM-SFHVURJKSA-N 2 0 343.475 1.778 20 0 EDADRP COCC[N@@H+]1CC[C@H](Nc2ccc(OCC[NH+](C)C)c(F)c2)C1 ZINC000839190590 593272861 /nfs/dbraw/zinc/27/28/61/593272861.db2.gz QYFPTYUWVLNZIV-HNNXBMFYSA-N 2 0 325.428 1.899 20 0 EDADRP CC[N@H+](CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1)[C@@H](C)CO ZINC000815182355 593619568 /nfs/dbraw/zinc/61/95/68/593619568.db2.gz HOTYGZWZFVHBQX-INIZCTEOSA-N 2 0 348.491 1.470 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCN(C(=O)OC)C2)CC[NH2+]CC1 ZINC000817903251 593647383 /nfs/dbraw/zinc/64/73/83/593647383.db2.gz LJVBKGFZNHSFTP-KGLIPLIRSA-N 2 0 341.452 1.128 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CCOC3C[NH2+]C3)cc2)CC1 ZINC000818609866 593707699 /nfs/dbraw/zinc/70/76/99/593707699.db2.gz PYXBZWMCIBLFGV-UHFFFAOYSA-N 2 0 346.475 1.534 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)cc1F ZINC000819174088 593742726 /nfs/dbraw/zinc/74/27/26/593742726.db2.gz OHUWKTQHZDHLBC-FGTMMUONSA-N 2 0 340.414 1.966 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-n2cnnc2)c1)N1CC[NH+](C)CC1 ZINC000820809964 593895201 /nfs/dbraw/zinc/89/52/01/593895201.db2.gz LXFWLKOBVMBGQL-HOTGVXAUSA-N 2 0 328.464 1.554 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000820829317 593899473 /nfs/dbraw/zinc/89/94/73/593899473.db2.gz HXBZYUNGDNODNL-RHSMWYFYSA-N 2 0 339.505 1.823 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252671 593997280 /nfs/dbraw/zinc/99/72/80/593997280.db2.gz AUMDEXKXOLBZJN-RHSMWYFYSA-N 2 0 344.463 1.908 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253738 593997963 /nfs/dbraw/zinc/99/79/63/593997963.db2.gz HZILVQHTUDLUIL-RHSMWYFYSA-N 2 0 344.463 1.908 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000821268138 594003699 /nfs/dbraw/zinc/00/36/99/594003699.db2.gz UIBGTIOJTHZJQL-CYBMUJFWSA-N 2 0 347.442 1.121 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453509 594005175 /nfs/dbraw/zinc/00/51/75/594005175.db2.gz PSSFPKQRXDKKSJ-WMLDXEAASA-N 2 0 329.460 1.162 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)ccn1 ZINC000824797641 594076434 /nfs/dbraw/zinc/07/64/34/594076434.db2.gz NLKGDMTZFKDKAE-PBHICJAKSA-N 2 0 334.464 1.463 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000822980944 594131630 /nfs/dbraw/zinc/13/16/30/594131630.db2.gz RMYWVLKQLWYFOT-HUUCEWRRSA-N 2 0 342.447 1.739 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC000827837342 594288115 /nfs/dbraw/zinc/28/81/15/594288115.db2.gz ULVXYMZUMWLZOD-KRWDZBQOSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]23CCO[C@H]2CCCC3)C[C@H]1C[NH+](C)C ZINC000827892696 594298871 /nfs/dbraw/zinc/29/88/71/594298871.db2.gz QOZNYNSAEZINAJ-VXIBKDFQSA-N 2 0 337.508 1.534 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000828142889 594350564 /nfs/dbraw/zinc/35/05/64/594350564.db2.gz VGLLZWWDTIRHCN-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP COc1ccccc1C(F)(F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000826545090 594521964 /nfs/dbraw/zinc/52/19/64/594521964.db2.gz WZDCVVVUMZHPMZ-UHFFFAOYSA-N 2 0 343.418 1.739 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)NCCCCCC[NH3+])ccn2)CC1 ZINC000831100396 594556472 /nfs/dbraw/zinc/55/64/72/594556472.db2.gz VMLBAQSVJJJCBR-UHFFFAOYSA-N 2 0 348.495 1.152 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cc1 ZINC000831177739 594575731 /nfs/dbraw/zinc/57/57/31/594575731.db2.gz BEHDMBHNJMJOON-IBGZPJMESA-N 2 0 338.455 1.956 20 0 EDADRP CN(C(=O)NCCCCCC[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000831273681 594596869 /nfs/dbraw/zinc/59/68/69/594596869.db2.gz AGLHKNIPCAUMLD-QGZVFWFLSA-N 2 0 339.528 1.315 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000827249805 594656335 /nfs/dbraw/zinc/65/63/35/594656335.db2.gz MSXRGFYDNPGUOY-UHFFFAOYSA-N 2 0 346.475 1.536 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)CC1 ZINC000827455547 594673763 /nfs/dbraw/zinc/67/37/63/594673763.db2.gz CZBFEEBNRWCKNI-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP CCO[C@@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+](C)C ZINC000831756269 594699964 /nfs/dbraw/zinc/69/99/64/594699964.db2.gz FSKQRMBVCFKSPC-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1(C)C ZINC000832638891 594766001 /nfs/dbraw/zinc/76/60/01/594766001.db2.gz BFAFKPPXDVJFJJ-CABCVRRESA-N 2 0 341.496 1.821 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000841323903 594885057 /nfs/dbraw/zinc/88/50/57/594885057.db2.gz DKDFEDQEIUSCGG-GDBMZVCRSA-N 2 0 334.420 1.009 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841791472 594954005 /nfs/dbraw/zinc/95/40/05/594954005.db2.gz XVECNOCLCWUYMI-MSOLQXFVSA-N 2 0 346.475 1.410 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847046 594964451 /nfs/dbraw/zinc/96/44/51/594964451.db2.gz QECYPILRCUEKAK-ZIAGYGMSSA-N 2 0 333.432 1.922 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000841847774 594964746 /nfs/dbraw/zinc/96/47/46/594964746.db2.gz UWVWUWNVYDVEIZ-KRWDZBQOSA-N 2 0 327.432 1.239 20 0 EDADRP O=C(N1CC[C@]2(C1)CCC[NH2+]C2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000841851543 594965153 /nfs/dbraw/zinc/96/51/53/594965153.db2.gz XVMBMKJYMWIVDY-LJQANCHMSA-N 2 0 327.472 1.910 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000841899885 594977472 /nfs/dbraw/zinc/97/74/72/594977472.db2.gz YKSSIZWXOKMTPT-LJQANCHMSA-N 2 0 348.491 1.434 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000843263023 595057716 /nfs/dbraw/zinc/05/77/16/595057716.db2.gz UDYPTLLGQPAPPH-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)CC1 ZINC000843335171 595078492 /nfs/dbraw/zinc/07/84/92/595078492.db2.gz MJWDOTNBRYEKJD-ZDUSSCGKSA-N 2 0 331.416 1.663 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000846178644 595166035 /nfs/dbraw/zinc/16/60/35/595166035.db2.gz JOTLMAFJGCZRCN-ARFHVFGLSA-N 2 0 326.485 1.433 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844170128 595290320 /nfs/dbraw/zinc/29/03/20/595290320.db2.gz GKGIVFXEOXVHMN-KRWDZBQOSA-N 2 0 325.497 1.726 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N(C)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183326 595294946 /nfs/dbraw/zinc/29/49/46/595294946.db2.gz XSQZFINHCVBJNN-OAHLLOKOSA-N 2 0 325.478 1.670 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCCCCCC[NH3+])c2)CC1 ZINC000844200018 595300856 /nfs/dbraw/zinc/30/08/56/595300856.db2.gz FMBOIRRJAZZWNH-UHFFFAOYSA-N 2 0 332.492 1.683 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C3(C[NH3+])CCCC3)n2)ccn1 ZINC000843192505 595302280 /nfs/dbraw/zinc/30/22/80/595302280.db2.gz WJXLFQJUDBPGEA-UHFFFAOYSA-N 2 0 331.420 1.843 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H](N)CC[NH+](C)C)n2)ccn1 ZINC000844912198 595412652 /nfs/dbraw/zinc/41/26/52/595412652.db2.gz DZDLGDXNICNCES-ZDUSSCGKSA-N 2 0 334.424 1.024 20 0 EDADRP [NH2+]=C(NCC(=O)NCC1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849077187 595478643 /nfs/dbraw/zinc/47/86/43/595478643.db2.gz UILZMEBSNMWUQK-UHFFFAOYSA-N 2 0 343.475 1.291 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@@H]1COc2ccccc2O1 ZINC000849096568 595481428 /nfs/dbraw/zinc/48/14/28/595481428.db2.gz VSNYQHYBFRIECQ-HUUCEWRRSA-N 2 0 332.448 1.815 20 0 EDADRP Cc1ccc(N2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c(C)c1 ZINC000852761991 595531871 /nfs/dbraw/zinc/53/18/71/595531871.db2.gz DXBNRHHETNOQJH-UHFFFAOYSA-N 2 0 330.476 1.247 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849481347 595547131 /nfs/dbraw/zinc/54/71/31/595547131.db2.gz KMKWHNZNWFRDTR-ROUUACIJSA-N 2 0 347.507 1.256 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531478 595559108 /nfs/dbraw/zinc/55/91/08/595559108.db2.gz DTOGBGZMMSWFPI-IAGOWNOFSA-N 2 0 335.496 1.304 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000849527725 595559488 /nfs/dbraw/zinc/55/94/88/595559488.db2.gz JXXLWVVTQAMPFJ-FGTMMUONSA-N 2 0 345.491 1.151 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852855831 595577877 /nfs/dbraw/zinc/57/78/77/595577877.db2.gz OZXQZWNOKFSMST-ZDUSSCGKSA-N 2 0 338.477 1.522 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@H](O)c2ccccn2)C1 ZINC000853126652 595673487 /nfs/dbraw/zinc/67/34/87/595673487.db2.gz PHOGOFZNDATCDG-QUCCMNQESA-N 2 0 340.471 1.521 20 0 EDADRP Cn1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c(Br)n1 ZINC000858132688 595708671 /nfs/dbraw/zinc/70/86/71/595708671.db2.gz BXJAJZVOCIGCKV-ZDUSSCGKSA-N 2 0 345.285 1.509 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000853465218 595758367 /nfs/dbraw/zinc/75/83/67/595758367.db2.gz CWPQVIFRGVHYHL-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@H]3COCCO3)C2)ccn1 ZINC000856585128 596023837 /nfs/dbraw/zinc/02/38/37/596023837.db2.gz ZPZWTAWTTVUSOP-MSOLQXFVSA-N 2 0 335.448 1.402 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@@H]3CCOC3=O)C2)ccn1 ZINC000856590348 596024936 /nfs/dbraw/zinc/02/49/36/596024936.db2.gz SZPTUKBUGMAXTJ-QAPCUYQASA-N 2 0 347.459 1.940 20 0 EDADRP CC(=O)NCCC[NH+]1CC[C@@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856601024 596029892 /nfs/dbraw/zinc/02/98/92/596029892.db2.gz ZMFGATLTPYFMQC-LJQANCHMSA-N 2 0 348.491 1.901 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@]1(C)Br ZINC000859352696 596060483 /nfs/dbraw/zinc/06/04/83/596060483.db2.gz WGLYJLOTWAGQCY-HIFRSBDPSA-N 2 0 348.329 1.892 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000861669715 596061499 /nfs/dbraw/zinc/06/14/99/596061499.db2.gz ZQYQKSDGQGEZIN-UHFFFAOYSA-N 2 0 334.464 1.398 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857123006 596163622 /nfs/dbraw/zinc/16/36/22/596163622.db2.gz UTQIHTHTVZICSG-MOPGFXCFSA-N 2 0 344.503 1.471 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866666438 596285011 /nfs/dbraw/zinc/28/50/11/596285011.db2.gz QKTPTWKTEHKILL-ZWKOTPCHSA-N 2 0 330.476 1.692 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)Cc2cn3cc(F)ccc3n2)CC1 ZINC000868960928 596364287 /nfs/dbraw/zinc/36/42/87/596364287.db2.gz RZBDEPUDBKIBBI-UHFFFAOYSA-N 2 0 348.422 1.585 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[NH2+]CC3CC3)cn2)CC1 ZINC000870866674 596382859 /nfs/dbraw/zinc/38/28/59/596382859.db2.gz GUTPVDQURXJHNT-UHFFFAOYSA-N 2 0 345.491 1.229 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935042 596411358 /nfs/dbraw/zinc/41/13/58/596411358.db2.gz TYQZZRSEDNUKQL-CHWSQXEVSA-N 2 0 326.238 1.659 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870945058 596414866 /nfs/dbraw/zinc/41/48/66/596414866.db2.gz NXMVYWUYYBSYIA-NSHDSACASA-N 2 0 330.404 1.337 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000870945712 596414960 /nfs/dbraw/zinc/41/49/60/596414960.db2.gz XBOVEOPPXPRZKM-WDEREUQCSA-N 2 0 348.191 1.562 20 0 EDADRP CN(C)Cc1cnc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000865296346 596531190 /nfs/dbraw/zinc/53/11/90/596531190.db2.gz WZVKNVRGNPMZAR-UHFFFAOYSA-N 2 0 346.504 1.964 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000863548576 596614730 /nfs/dbraw/zinc/61/47/30/596614730.db2.gz SJCJNQWDZNTXRG-DLBZAZTESA-N 2 0 336.480 1.119 20 0 EDADRP Cc1cccc(COCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870017160 596709619 /nfs/dbraw/zinc/70/96/19/596709619.db2.gz HSNCEHCXRKQURT-RTBURBONSA-N 2 0 347.503 1.709 20 0 EDADRP CO[C@@H]1CCC[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018648 596710673 /nfs/dbraw/zinc/71/06/73/596710673.db2.gz UXWFGIFVSPJCBE-YLFCFFPRSA-N 2 0 325.497 1.389 20 0 EDADRP CC(C)Nc1ncccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020377 596711277 /nfs/dbraw/zinc/71/12/77/596711277.db2.gz ACMYNTBSGVWSJL-HZPDHXFCSA-N 2 0 347.507 1.713 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2csc3nccn23)C[C@H]1C[NH+](C)C ZINC000870020072 596711489 /nfs/dbraw/zinc/71/14/89/596711489.db2.gz BLFRSEKVUCQUTB-ZIAGYGMSSA-N 2 0 349.504 1.136 20 0 EDADRP CCOCCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000870020060 596711580 /nfs/dbraw/zinc/71/15/80/596711580.db2.gz BBASSOVLAKHSBE-IAGOWNOFSA-N 2 0 339.524 1.781 20 0 EDADRP C[C@@H]1CC[C@H](CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000870022198 596712451 /nfs/dbraw/zinc/71/24/51/596712451.db2.gz YBDSETKYKJRGEY-QBPKDAKJSA-N 2 0 325.497 1.532 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000871821886 596715286 /nfs/dbraw/zinc/71/52/86/596715286.db2.gz ASBCDFQKKDJAOY-RDJZCZTQSA-N 2 0 345.553 1.888 20 0 EDADRP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969696 596738663 /nfs/dbraw/zinc/73/86/63/596738663.db2.gz YLZWWZKQQVLHKV-DLBZAZTESA-N 2 0 326.481 1.229 20 0 EDADRP Cc1nn(C)c2nccc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c12 ZINC000866010030 596756893 /nfs/dbraw/zinc/75/68/93/596756893.db2.gz FHYINJSQMVQLKP-HUUCEWRRSA-N 2 0 330.480 1.452 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nccnc2OC(F)F)C[C@H]1C[NH+](C)C ZINC000866011655 596757425 /nfs/dbraw/zinc/75/74/25/596757425.db2.gz IKZCSLNEQUZKGL-VXGBXAGGSA-N 2 0 329.395 1.254 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000872146327 596810500 /nfs/dbraw/zinc/81/05/00/596810500.db2.gz LKRIRKLQACGGAJ-JCGIZDLHSA-N 2 0 338.411 1.602 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000872152997 596814289 /nfs/dbraw/zinc/81/42/89/596814289.db2.gz XSYMBWBKOLMTIF-CABCVRRESA-N 3 0 336.446 1.472 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H]2CC=CC[C@H]2C(F)(F)F)CC1 ZINC000872231124 596847231 /nfs/dbraw/zinc/84/72/31/596847231.db2.gz MDLKHTBNVOHRRR-SOUVJXGZSA-N 2 0 335.414 1.329 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@]12CCC[C@H]1OCC2)c1ccccc1 ZINC000872315410 596878768 /nfs/dbraw/zinc/87/87/68/596878768.db2.gz SQTQPIYBSHCDHA-SCTDSRPQSA-N 2 0 331.460 1.707 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000874170429 596950386 /nfs/dbraw/zinc/95/03/86/596950386.db2.gz MBGSACKLAFMNCB-NVXWUHKLSA-N 2 0 344.459 1.239 20 0 EDADRP COCCC1(NC(=O)NCC2([NH+](C)C)CCCC2)CC[NH2+]CC1 ZINC000874431633 597075467 /nfs/dbraw/zinc/07/54/67/597075467.db2.gz OSIPMGXCSHZUTA-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000874846297 597198688 /nfs/dbraw/zinc/19/86/88/597198688.db2.gz XYBTZDSLSBNRLL-GUDVDZBRSA-N 2 0 342.487 1.989 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000876519084 597228162 /nfs/dbraw/zinc/22/81/62/597228162.db2.gz RTIOPYHROIPWDU-AWEZNQCLSA-N 2 0 345.443 1.876 20 0 EDADRP COCCC1([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC[NH2+]CC1 ZINC000873225609 597232549 /nfs/dbraw/zinc/23/25/49/597232549.db2.gz VADBJJRGLMRGOZ-UHFFFAOYSA-N 2 0 331.460 1.844 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CN1C1CC1 ZINC000873247066 597238477 /nfs/dbraw/zinc/23/84/77/597238477.db2.gz HSYXOQXBTZQLMT-HIFRSBDPSA-N 2 0 326.448 1.441 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])C1 ZINC000873248963 597239380 /nfs/dbraw/zinc/23/93/80/597239380.db2.gz JVVVPGKRXPHRJA-MTFMMBMASA-N 2 0 347.503 1.538 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873255790 597240780 /nfs/dbraw/zinc/24/07/80/597240780.db2.gz IAHSDEJRDTZHLJ-DKIMLUQUSA-N 2 0 347.459 1.739 20 0 EDADRP O=C1NCCN1Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873261232 597241844 /nfs/dbraw/zinc/24/18/44/597241844.db2.gz CBUPJOXSYDHAOJ-OKZBNKHCSA-N 2 0 328.460 1.690 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000873310470 597253118 /nfs/dbraw/zinc/25/31/18/597253118.db2.gz LIYITESQDSOAIP-MAUKXSAKSA-N 2 0 345.447 1.253 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)n2)CC1 ZINC000873322990 597256433 /nfs/dbraw/zinc/25/64/33/597256433.db2.gz KHWQYGVGQDMPNL-WMLDXEAASA-N 2 0 332.452 1.556 20 0 EDADRP CCC(CC)[C@H](CNC(=O)/C=C/[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000876716729 597302694 /nfs/dbraw/zinc/30/26/94/597302694.db2.gz LPHXWNOVOCLMOD-RUEXWFJESA-N 2 0 337.508 1.795 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000876732295 597311371 /nfs/dbraw/zinc/31/13/71/597311371.db2.gz SHPFAIKUHGFHDF-RDJZCZTQSA-N 2 0 347.507 1.968 20 0 EDADRP CN(C(=O)[C@@H](F)[C@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876739922 597315487 /nfs/dbraw/zinc/31/54/87/597315487.db2.gz ANCGNQSUOVAOCH-YJBOKZPZSA-N 2 0 348.466 1.495 20 0 EDADRP CN(C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000876752846 597322064 /nfs/dbraw/zinc/32/20/64/597322064.db2.gz AYVBHQGJGBEWMO-KBPBESRZSA-N 2 0 327.375 1.430 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000876765481 597330115 /nfs/dbraw/zinc/33/01/15/597330115.db2.gz YBLKADOZIKHKCA-TUYSUELWSA-N 2 0 335.492 1.694 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876777721 597337241 /nfs/dbraw/zinc/33/72/41/597337241.db2.gz PQVDAJAZPGYRKR-YOEHRIQHSA-N 2 0 334.464 1.235 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)/C=C/[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000876780086 597337906 /nfs/dbraw/zinc/33/79/06/597337906.db2.gz CNLXWLUHYYBFEK-YERXGYGTSA-N 2 0 343.475 1.005 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780315 597337967 /nfs/dbraw/zinc/33/79/67/597337967.db2.gz UKKZYNPQDFESNZ-RHSMWYFYSA-N 2 0 334.439 1.715 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000876780022 597338076 /nfs/dbraw/zinc/33/80/76/597338076.db2.gz ASHQPHGDJZRDBO-FGTMMUONSA-N 2 0 348.466 1.039 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781374 597338459 /nfs/dbraw/zinc/33/84/59/597338459.db2.gz GWAGRCOYCRHGBK-MOEXGYKKSA-N 2 0 343.475 1.005 20 0 EDADRP CC[C@@H]1CC(=O)N(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124614787 597344110 /nfs/dbraw/zinc/34/41/10/597344110.db2.gz OVANIIWGXYGXBI-HRBLRVMOSA-N 2 0 334.508 1.445 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876897719 597375622 /nfs/dbraw/zinc/37/56/22/597375622.db2.gz VDNWTQLNKNOTHP-KSZLIROESA-N 2 0 349.450 1.341 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000876965762 597400234 /nfs/dbraw/zinc/40/02/34/597400234.db2.gz JSSSXEKTVCKHFW-SEXGHCQPSA-N 2 0 331.435 1.920 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C[NH+](C)C ZINC000877143582 597442340 /nfs/dbraw/zinc/44/23/40/597442340.db2.gz SGSJGCSSWVJCGN-IAGOWNOFSA-N 3 0 338.540 1.484 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151769 597443872 /nfs/dbraw/zinc/44/38/72/597443872.db2.gz RESWZQFTLCYHMO-IRXDYDNUSA-N 2 0 332.492 1.340 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201149 597460411 /nfs/dbraw/zinc/46/04/11/597460411.db2.gz DPQPVMHJHRZWAT-LJQANCHMSA-N 2 0 346.519 1.684 20 0 EDADRP CCC(O)(CC)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875526539 597465208 /nfs/dbraw/zinc/46/52/08/597465208.db2.gz MYEXYQFBPKGNRS-HZPDHXFCSA-N 2 0 342.528 1.308 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000875545296 597472546 /nfs/dbraw/zinc/47/25/46/597472546.db2.gz SORIJAWTEUIHNV-RRFJBIMHSA-N 2 0 328.526 1.120 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H](c2ccc(OC)cc2)[C@H]([NH3+])C1 ZINC000877236492 597473520 /nfs/dbraw/zinc/47/35/20/597473520.db2.gz BGUMRNBDEFWTIY-KSZLIROESA-N 2 0 331.460 1.823 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)c3oc(C[NH3+])cc3C)C[C@H]2[NH3+])cc1 ZINC000877238716 597474640 /nfs/dbraw/zinc/47/46/40/597474640.db2.gz DEWHKAHZTZQPGZ-JKSUJKDBSA-N 2 0 329.400 1.622 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877246856 597477800 /nfs/dbraw/zinc/47/78/00/597477800.db2.gz RWRFTANHCOKGPF-BJWYYQGGSA-N 2 0 335.492 1.668 20 0 EDADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000877252943 597480705 /nfs/dbraw/zinc/48/07/05/597480705.db2.gz CUFDUAXIZWNNIC-QGZVFWFLSA-N 2 0 344.503 1.703 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000877444004 597516110 /nfs/dbraw/zinc/51/61/10/597516110.db2.gz HYKHLWHSWQGQJI-AYBZRNKSSA-N 2 0 337.508 1.759 20 0 EDADRP COC(=O)/C=C\c1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000877670843 597546512 /nfs/dbraw/zinc/54/65/12/597546512.db2.gz QEIOWYRFZOGKNW-NKIGNDQYSA-N 2 0 349.475 1.637 20 0 EDADRP C([C@@H]1CC2(CO1)CCOCC2)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877970431 597567153 /nfs/dbraw/zinc/56/71/53/597567153.db2.gz OBICORATINPBFH-SFHVURJKSA-N 2 0 338.492 1.616 20 0 EDADRP O[C@H](C[C@H](O)c1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877969759 597567177 /nfs/dbraw/zinc/56/71/77/597567177.db2.gz HDJRTARFMMSWMS-UXHICEINSA-N 2 0 348.487 1.515 20 0 EDADRP CN(CCC[NH+]1CCN(C)CC1)Cc1nnc(-c2ccccc2O)o1 ZINC000878318013 597594970 /nfs/dbraw/zinc/59/49/70/597594970.db2.gz XILBGYSGYGMQQE-UHFFFAOYSA-N 2 0 345.447 1.512 20 0 EDADRP CC(=O)Nc1cccc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000878351084 597597314 /nfs/dbraw/zinc/59/73/14/597597314.db2.gz TTXMKFAGHMGAIJ-ZDUSSCGKSA-N 2 0 332.448 1.506 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)CC1 ZINC000878363924 597597831 /nfs/dbraw/zinc/59/78/31/597597831.db2.gz LRZOSZAEILSZJY-APWZRJJASA-N 2 0 331.460 1.564 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062049 597636372 /nfs/dbraw/zinc/63/63/72/597636372.db2.gz PJJBAWPIAPGQQT-DOTOQJQBSA-N 2 0 334.464 1.691 20 0 EDADRP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595338 597650461 /nfs/dbraw/zinc/65/04/61/597650461.db2.gz YWFUFUUKDJQOKZ-PXNSSMCTSA-N 2 0 331.504 1.863 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883226273 597689672 /nfs/dbraw/zinc/68/96/72/597689672.db2.gz VIANUBCFGYFQKA-HOCLYGCPSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431742 597744128 /nfs/dbraw/zinc/74/41/28/597744128.db2.gz CMDFDFMNOARBBF-JKSUJKDBSA-N 2 0 335.452 1.102 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)C2)C1 ZINC000883434374 597744732 /nfs/dbraw/zinc/74/47/32/597744732.db2.gz PBSKZMMLJRHJOY-MLHJIOFPSA-N 2 0 338.492 1.933 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@H]2CCC3(CCC3)O2)CC1 ZINC000883437624 597746481 /nfs/dbraw/zinc/74/64/81/597746481.db2.gz WXTBSRRVSAMUIY-OWCLPIDISA-N 2 0 335.448 1.345 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC[N@@H+]1C ZINC000883457473 597756314 /nfs/dbraw/zinc/75/63/14/597756314.db2.gz DYJSUQROPADLBL-OWCLPIDISA-N 2 0 331.464 1.784 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccn2nccc12 ZINC000878945086 597763520 /nfs/dbraw/zinc/76/35/20/597763520.db2.gz DFSVJONZWMSTCB-UHFFFAOYSA-N 2 0 331.464 1.680 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883489576 597773184 /nfs/dbraw/zinc/77/31/84/597773184.db2.gz OFCSAOXFAQWGIZ-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C(C)(C)O)C2)CC1 ZINC000879962615 597786566 /nfs/dbraw/zinc/78/65/66/597786566.db2.gz UXAANRJMKDCMCZ-HNNXBMFYSA-N 2 0 325.497 1.458 20 0 EDADRP COc1cccnc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879162442 597836985 /nfs/dbraw/zinc/83/69/85/597836985.db2.gz LYHLWLDAYQAQRM-ZIAGYGMSSA-N 2 0 335.452 1.293 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C(C)(C)O)C1)c1ccccc1 ZINC000880147957 597857653 /nfs/dbraw/zinc/85/76/53/597857653.db2.gz MQXJCXRAZZMMSX-IRXDYDNUSA-N 2 0 333.476 1.498 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000882392720 597955185 /nfs/dbraw/zinc/95/51/85/597955185.db2.gz ROCAELVROOKIAE-MAUKXSAKSA-N 2 0 328.460 1.861 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000884016712 597969091 /nfs/dbraw/zinc/96/90/91/597969091.db2.gz CMEBDFXIXZZCKP-GXFFZTMASA-N 2 0 326.238 1.565 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884037655 597974545 /nfs/dbraw/zinc/97/45/45/597974545.db2.gz IZKKAESXYOEXTO-ZDUSSCGKSA-N 2 0 325.416 1.763 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000884207279 598029018 /nfs/dbraw/zinc/02/90/18/598029018.db2.gz QZUYUKPTAVPVHO-MRXNPFEDSA-N 2 0 337.489 1.580 20 0 EDADRP CN(C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884213209 598031646 /nfs/dbraw/zinc/03/16/46/598031646.db2.gz WAQVBEWCGNEBQU-NVXWUHKLSA-N 2 0 327.428 1.998 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000884300600 598059120 /nfs/dbraw/zinc/05/91/20/598059120.db2.gz CWHWTYTWDIECCL-IAGOWNOFSA-N 2 0 331.460 1.747 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000884312934 598062954 /nfs/dbraw/zinc/06/29/54/598062954.db2.gz RSGNCQXQVSLVSC-IYBDPMFKSA-N 2 0 349.475 1.466 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000884345258 598076114 /nfs/dbraw/zinc/07/61/14/598076114.db2.gz ZQFHXTVFUCWDCK-ZFWWWQNUSA-N 2 0 338.249 1.803 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Br)cc1 ZINC000884360241 598080568 /nfs/dbraw/zinc/08/05/68/598080568.db2.gz XJPMSQMOBABBRX-SLEUVZQESA-N 2 0 340.265 1.865 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]([NH3+])CC2CC2)cc1F ZINC000884405627 598095816 /nfs/dbraw/zinc/09/58/16/598095816.db2.gz XVZVWOVYHKFPOZ-BPUTZDHNSA-N 2 0 335.423 1.523 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914069732 695065453 /nfs/dbraw/zinc/06/54/53/695065453.db2.gz ZITFCMQGYFRFIA-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]Cc4cnon4)[C@H]3C2)CC1 ZINC000992796518 695346313 /nfs/dbraw/zinc/34/63/13/695346313.db2.gz BMMABZFFZRRCHH-XIRDDKMYSA-N 2 0 347.463 1.128 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccccn3)[C@H]2C1 ZINC000992902990 695439664 /nfs/dbraw/zinc/43/96/64/695439664.db2.gz BKWIULBLVBACIC-WDSOQIARSA-N 2 0 342.487 1.894 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCO[C@@H](C)C3)C2)CC1 ZINC001031188140 695709053 /nfs/dbraw/zinc/70/90/53/695709053.db2.gz CLBAEMQFHQCHGV-JKSUJKDBSA-N 2 0 337.508 1.722 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(CC[C@@H]2CCOC2)C1 ZINC001031234695 695929683 /nfs/dbraw/zinc/92/96/83/695929683.db2.gz GQKYSFZEEGILFQ-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](CNC(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000915733433 695978945 /nfs/dbraw/zinc/97/89/45/695978945.db2.gz CNCFWCREHGCMCG-ZACQAIPSSA-N 2 0 340.512 1.253 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000915763268 695985355 /nfs/dbraw/zinc/98/53/55/695985355.db2.gz NUCGONODGGPBKM-CVEARBPZSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1CCn1cncn1 ZINC000993669270 696298396 /nfs/dbraw/zinc/29/83/96/696298396.db2.gz AFXISHODKVAADT-CVEARBPZSA-N 2 0 348.495 1.122 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccn1 ZINC000993767069 696363702 /nfs/dbraw/zinc/36/37/02/696363702.db2.gz XPLAZIIPQQOGPN-QAPCUYQASA-N 2 0 330.476 1.893 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@@H]2C)CC1 ZINC000994135161 696529814 /nfs/dbraw/zinc/52/98/14/696529814.db2.gz QGUYETOLTJLNBC-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)c1 ZINC000994246102 696626092 /nfs/dbraw/zinc/62/60/92/696626092.db2.gz ASOMCPWDCISASW-SJLPKXTDSA-N 2 0 342.487 1.955 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000940008367 700109805 /nfs/dbraw/zinc/10/98/05/700109805.db2.gz KSTZOGQIEDKVRU-CYBMUJFWSA-N 2 0 337.493 1.411 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@H]3CCCOC3)C2)c1 ZINC001031433052 697094428 /nfs/dbraw/zinc/09/44/28/697094428.db2.gz CXYCMWDELTUMOK-MRXNPFEDSA-N 2 0 331.460 1.589 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669336 697464401 /nfs/dbraw/zinc/46/44/01/697464401.db2.gz IALLTGSEESALSG-MOPGFXCFSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669733 697465328 /nfs/dbraw/zinc/46/53/28/697465328.db2.gz RZQLFMOIYSTCLX-QZTJIDSGSA-N 2 0 335.492 1.335 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2C[NH+](CCCF)C2)CC1 ZINC001031679557 697497010 /nfs/dbraw/zinc/49/70/10/697497010.db2.gz XDQRHUSVHJDOSS-SJORKVTESA-N 2 0 341.471 1.141 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC001031688270 697519893 /nfs/dbraw/zinc/51/98/93/697519893.db2.gz BYKAGXVVYKVJQU-RBUKOAKNSA-N 2 0 343.471 1.406 20 0 EDADRP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689344 697530951 /nfs/dbraw/zinc/53/09/51/697530951.db2.gz TXDKJHMRVIRNCZ-ROUUACIJSA-N 2 0 333.476 1.398 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)C1 ZINC000921330842 697558259 /nfs/dbraw/zinc/55/82/59/697558259.db2.gz QVLHJDAJAJGQLV-XUWVNRHRSA-N 2 0 340.537 1.738 20 0 EDADRP O=c1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cc[nH]1 ZINC000921492388 697624802 /nfs/dbraw/zinc/62/48/02/697624802.db2.gz MGTVRKZLCXDBEX-UHFFFAOYSA-N 2 0 326.444 1.695 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031715544 697737673 /nfs/dbraw/zinc/73/76/73/697737673.db2.gz VGHNEWCODJDZGH-SJLPKXTDSA-N 2 0 337.508 1.726 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031713834 697739602 /nfs/dbraw/zinc/73/96/02/697739602.db2.gz GHGSRDGQYUWWKC-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031727228 697877842 /nfs/dbraw/zinc/87/78/42/697877842.db2.gz CIZMRGYSADOMJM-IBGZPJMESA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1CN(Cc2ccon2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285413 698043281 /nfs/dbraw/zinc/04/32/81/698043281.db2.gz ADHBWGGSUVMBMY-PBHICJAKSA-N 2 0 334.464 1.733 20 0 EDADRP O=C(NCC1CN(Cc2ccccn2)C1)c1cnn(-c2ccncc2)c1 ZINC001032080369 698254299 /nfs/dbraw/zinc/25/42/99/698254299.db2.gz SHTFHPJCXHZKFZ-UHFFFAOYSA-N 2 0 348.410 1.524 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)co1 ZINC000940115353 700230058 /nfs/dbraw/zinc/23/00/58/700230058.db2.gz IVXXITFVBJLICW-KRWDZBQOSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CC[N@@H+]1C ZINC000940119122 700252453 /nfs/dbraw/zinc/25/24/53/700252453.db2.gz AKEORLSWAKKSQD-HUUCEWRRSA-N 2 0 331.464 1.288 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC000940119283 700252556 /nfs/dbraw/zinc/25/25/56/700252556.db2.gz FFFQHIGCGZGMQA-IXDOHACOSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939053557 699113822 /nfs/dbraw/zinc/11/38/22/699113822.db2.gz APPCBNLBFMFTMV-IUODEOHRSA-N 2 0 336.505 1.730 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)c3occc3C[NH+](C)C)CC2)C1 ZINC000941538213 701569720 /nfs/dbraw/zinc/56/97/20/701569720.db2.gz WXTAXWJTUGJEAS-UHFFFAOYSA-N 2 0 334.464 1.192 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001031774468 699146135 /nfs/dbraw/zinc/14/61/35/699146135.db2.gz YYALHOSPNAXDQW-LJQANCHMSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567058 701579679 /nfs/dbraw/zinc/57/96/79/701579679.db2.gz PQNVDGORQRMGSV-CVEARBPZSA-N 2 0 340.487 1.047 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)c3ccc(CC[NH+](C)C)cc3)CC2)C1 ZINC000941564648 701584505 /nfs/dbraw/zinc/58/45/05/701584505.db2.gz NHPCFKZBJUWOGQ-UHFFFAOYSA-N 2 0 344.503 1.253 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2cnon2)C1)[NH+]1CCCCC1 ZINC000994943521 699544275 /nfs/dbraw/zinc/54/42/75/699544275.db2.gz HUDORRISWVSREQ-GJZGRUSLSA-N 2 0 349.479 1.709 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)ncn1 ZINC000939395310 699545466 /nfs/dbraw/zinc/54/54/66/699545466.db2.gz GHVIWDOKMJMXNM-MAUKXSAKSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939398341 699547679 /nfs/dbraw/zinc/54/76/79/699547679.db2.gz OTRQDMMOSOPEPF-RDJZCZTQSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939398636 699547807 /nfs/dbraw/zinc/54/78/07/699547807.db2.gz PMYUSODNAFFOHB-AEFFLSMTSA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636814 701602163 /nfs/dbraw/zinc/60/21/63/701602163.db2.gz VGGBVVFGSCHVOG-IRXDYDNUSA-N 2 0 336.524 1.344 20 0 EDADRP CC1CC(C[NH+]2CC(N3CCN(C(=O)C[C@H]4CC[N@H+](C)C4)CC3)C2)C1 ZINC000941639687 701603110 /nfs/dbraw/zinc/60/31/10/701603110.db2.gz VCUFOZWWVBGAPG-LXPRWKDFSA-N 2 0 348.535 1.203 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)ccn1 ZINC000939543275 699684331 /nfs/dbraw/zinc/68/43/31/699684331.db2.gz BUTCSLDNUJBUME-HOCLYGCPSA-N 2 0 344.459 1.123 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cc1 ZINC000939546431 699688485 /nfs/dbraw/zinc/68/84/85/699688485.db2.gz SCOUTGXOPTYANZ-MAUKXSAKSA-N 2 0 343.471 1.728 20 0 EDADRP Cc1nccn1CCCC(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000069576559 699713279 /nfs/dbraw/zinc/71/32/79/699713279.db2.gz BNSIJQBPKIMNFI-MRXNPFEDSA-N 2 0 349.479 1.031 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2CN(CC=C(C)C)C2)CC1 ZINC000941675086 701614872 /nfs/dbraw/zinc/61/48/72/701614872.db2.gz SNHXDXANGIMYEW-IBGZPJMESA-N 2 0 348.535 1.655 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1 ZINC000939754318 699904523 /nfs/dbraw/zinc/90/45/23/699904523.db2.gz MHOYHWOOCNYGFG-CRAIPNDOSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939754298 699904537 /nfs/dbraw/zinc/90/45/37/699904537.db2.gz MDHLJRKXZFXGCO-DOTOQJQBSA-N 2 0 347.507 1.670 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939757595 699924841 /nfs/dbraw/zinc/92/48/41/699924841.db2.gz YWARELZWNIKNEA-UKRRQHHQSA-N 2 0 334.464 1.578 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)c1ccc2c[nH+]cn2c1 ZINC001031849875 699933449 /nfs/dbraw/zinc/93/34/49/699933449.db2.gz FHUCGCPBSHDMON-OAHLLOKOSA-N 2 0 342.443 1.813 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000940149672 700282626 /nfs/dbraw/zinc/28/26/26/700282626.db2.gz NUEJKDPNTVNWAI-UHFFFAOYSA-N 2 0 347.507 1.858 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nc1 ZINC000940149945 700283615 /nfs/dbraw/zinc/28/36/15/700283615.db2.gz SOOLUFWRCQGWPI-QGZVFWFLSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166671 701628950 /nfs/dbraw/zinc/62/89/50/701628950.db2.gz GSMNMDOPWWZBTE-HUUCEWRRSA-N 2 0 348.516 1.922 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296538 700468778 /nfs/dbraw/zinc/46/87/78/700468778.db2.gz NSKBMCGZQGVQCA-UHFFFAOYSA-N 2 0 347.507 1.716 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000940337298 700495339 /nfs/dbraw/zinc/49/53/39/700495339.db2.gz FEIAPHHOZUITGW-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940327490 700504163 /nfs/dbraw/zinc/50/41/63/700504163.db2.gz FGPNCZTXRLWNPI-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000940327625 700504844 /nfs/dbraw/zinc/50/48/44/700504844.db2.gz LHCVLMKGQWQWNU-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000940327993 700505630 /nfs/dbraw/zinc/50/56/30/700505630.db2.gz BWNSMDNALXHHLI-UKRRQHHQSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000940328357 700506582 /nfs/dbraw/zinc/50/65/82/700506582.db2.gz HPEZQEIZFDDRLS-BBRMVZONSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)C1 ZINC000940328392 700506843 /nfs/dbraw/zinc/50/68/43/700506843.db2.gz IPPMLNWPDFDDGX-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP CCCc1noc(CNC2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC000940356769 700518566 /nfs/dbraw/zinc/51/85/66/700518566.db2.gz XTEAIHDQNCMYHZ-UHFFFAOYSA-N 2 0 346.435 1.459 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995068023 700532990 /nfs/dbraw/zinc/53/29/90/700532990.db2.gz BHMVTYHVCOVHHZ-YOEHRIQHSA-N 2 0 334.464 1.699 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC000940392855 700569709 /nfs/dbraw/zinc/56/97/09/700569709.db2.gz REKVNSVCGMPKNG-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940426736 700620520 /nfs/dbraw/zinc/62/05/20/700620520.db2.gz ZRGAZNOCBOVFKO-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000940428175 700622537 /nfs/dbraw/zinc/62/25/37/700622537.db2.gz WQGJYUQZUKURSO-MRXNPFEDSA-N 2 0 349.519 1.868 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940471923 700657179 /nfs/dbraw/zinc/65/71/79/700657179.db2.gz BJYHGGIKXJUVNS-UHFFFAOYSA-N 2 0 347.507 1.767 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457544 700661105 /nfs/dbraw/zinc/66/11/05/700661105.db2.gz KBNAWSZKGXCFKO-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940457813 700661619 /nfs/dbraw/zinc/66/16/19/700661619.db2.gz WIYBFLMPCGHXET-AWEZNQCLSA-N 2 0 334.464 1.659 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000940461925 700665605 /nfs/dbraw/zinc/66/56/05/700665605.db2.gz RQXVWLPLKVEZKS-CQSZACIVSA-N 2 0 346.479 1.105 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940800312 700917274 /nfs/dbraw/zinc/91/72/74/700917274.db2.gz YHMYWRFAALOLFR-IRXDYDNUSA-N 2 0 339.524 1.563 20 0 EDADRP Cc1cncn1CC(=O)N[C@@H]1CC[N@H+](CC2CCOCC2)CC1(C)C ZINC000940894042 700963525 /nfs/dbraw/zinc/96/35/25/700963525.db2.gz VZDIFUQZXAUGMD-QGZVFWFLSA-N 2 0 348.491 1.835 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001031918831 701037370 /nfs/dbraw/zinc/03/73/70/701037370.db2.gz IIBYXCWGKBJQPM-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3cnc(C)o3)C2)C1 ZINC001031919078 701041539 /nfs/dbraw/zinc/04/15/39/701041539.db2.gz MJDFGQUUJXNRDQ-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000941026469 701065614 /nfs/dbraw/zinc/06/56/14/701065614.db2.gz KMQATNIZSNINQU-RDTXWAMCSA-N 2 0 343.487 1.408 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000995119583 701110651 /nfs/dbraw/zinc/11/06/51/701110651.db2.gz LZWPUOBETTWKSW-SJLPKXTDSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1ncc2n1C[C@H](C(=O)NCC1CN(CCC(F)(F)F)C1)CC2 ZINC001031930738 701374352 /nfs/dbraw/zinc/37/43/52/701374352.db2.gz AAEQVXUTAJDMMR-CYBMUJFWSA-N 2 0 344.381 1.754 20 0 EDADRP CC1(C)C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166981 701377744 /nfs/dbraw/zinc/37/77/44/701377744.db2.gz NTKYRMVBXYIBMP-QGZVFWFLSA-N 2 0 349.519 1.868 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccnn3C)C2)CC1 ZINC000995131051 701398735 /nfs/dbraw/zinc/39/87/35/701398735.db2.gz DUQSSUFIFGLCNP-DLBZAZTESA-N 2 0 347.507 1.527 20 0 EDADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941215433 701401728 /nfs/dbraw/zinc/40/17/28/701401728.db2.gz SDJRYYJQGAAJFE-QGZVFWFLSA-N 2 0 347.507 1.275 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)o1 ZINC000941217142 701403453 /nfs/dbraw/zinc/40/34/53/701403453.db2.gz KCNLXJQDZMXAPE-RDJZCZTQSA-N 2 0 348.491 1.960 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999172180 706603346 /nfs/dbraw/zinc/60/33/46/706603346.db2.gz FEFCAISEYNMYNH-JKSUJKDBSA-N 2 0 341.446 1.954 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)c1C ZINC001031948831 701519662 /nfs/dbraw/zinc/51/96/62/701519662.db2.gz PVMNYTAPOMADIR-UHFFFAOYSA-N 2 0 345.487 1.893 20 0 EDADRP Cc1cc(C)cc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130351 701840612 /nfs/dbraw/zinc/84/06/12/701840612.db2.gz MJYZACQBIOWSTD-UHFFFAOYSA-N 2 0 327.472 1.947 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999176411 706617987 /nfs/dbraw/zinc/61/79/87/706617987.db2.gz WMDAHQJYTNTAIW-CVEARBPZSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130380 701841640 /nfs/dbraw/zinc/84/16/40/701841640.db2.gz NNVDNKBNNOMHLT-UHFFFAOYSA-N 2 0 331.435 1.778 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001032132283 701864870 /nfs/dbraw/zinc/86/48/70/701864870.db2.gz RPPXXCLKQCLOOP-MRXNPFEDSA-N 2 0 346.475 1.768 20 0 EDADRP CCN1CCO[C@@H](C(=O)NCC2C[NH+](CCC3CCCCC3)C2)C1 ZINC001032201558 701870158 /nfs/dbraw/zinc/87/01/58/701870158.db2.gz IAQYYEWEZRCCMJ-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031976517 701965191 /nfs/dbraw/zinc/96/51/91/701965191.db2.gz NODBGXIIJRKUFV-YJBOKZPZSA-N 2 0 337.508 1.439 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC000999189266 706631558 /nfs/dbraw/zinc/63/15/58/706631558.db2.gz JTMBMHFWGDJSIX-ATZDWAIDSA-N 2 0 345.487 1.600 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ccn1 ZINC000999189937 706632286 /nfs/dbraw/zinc/63/22/86/706632286.db2.gz OPULYZNFTPBYAK-HYVNUMGLSA-N 2 0 346.475 1.511 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032205715 702093993 /nfs/dbraw/zinc/09/39/93/702093993.db2.gz GJNBXRIPEKBGMS-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032205938 702111547 /nfs/dbraw/zinc/11/15/47/702111547.db2.gz MWWPHRUUIUJMJA-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccnc3C)C2)CC[N@@H+]1C ZINC000999200686 706644808 /nfs/dbraw/zinc/64/48/08/706644808.db2.gz OIFSKICVHFUZHO-SOLBZPMBSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995892769 702192828 /nfs/dbraw/zinc/19/28/28/702192828.db2.gz GEZSYGFQBJPVHT-JKSUJKDBSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)CCC1 ZINC000995889518 702229926 /nfs/dbraw/zinc/22/99/26/702229926.db2.gz VMQLIKIZUXXSCB-CQSZACIVSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995921790 702244018 /nfs/dbraw/zinc/24/40/18/702244018.db2.gz CBZDLVQUCRVVCW-SJORKVTESA-N 2 0 349.523 1.641 20 0 EDADRP Cc1ccnc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995975248 702331640 /nfs/dbraw/zinc/33/16/40/702331640.db2.gz IXPKMKUENQSQPU-HZPDHXFCSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)ncn1 ZINC000995975010 702361077 /nfs/dbraw/zinc/36/10/77/702361077.db2.gz IMGDBGANHXYSKW-DLBZAZTESA-N 2 0 345.491 1.596 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)s1 ZINC000944154713 702446057 /nfs/dbraw/zinc/44/60/57/702446057.db2.gz LPINPDRZKZVJOJ-CJNGLKHVSA-N 2 0 348.516 1.874 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000942054212 702500478 /nfs/dbraw/zinc/50/04/78/702500478.db2.gz WODKHJSVPVGAGY-JKSUJKDBSA-N 2 0 325.497 1.460 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996246597 702649987 /nfs/dbraw/zinc/64/99/87/702649987.db2.gz JEKQNPWPLULLER-INIZCTEOSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000996300862 702692758 /nfs/dbraw/zinc/69/27/58/702692758.db2.gz OWCKBRNRHGOOJT-LSDHHAIUSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301476 702693537 /nfs/dbraw/zinc/69/35/37/702693537.db2.gz UDUULIYMWLVKEE-HUUCEWRRSA-N 2 0 331.464 1.288 20 0 EDADRP Cc1cc(CN[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)no1 ZINC000996301462 702693573 /nfs/dbraw/zinc/69/35/73/702693573.db2.gz TXVHOLXWYHACKM-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302568 702694504 /nfs/dbraw/zinc/69/45/04/702694504.db2.gz XGTITCQZNDOWJJ-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302677 702694935 /nfs/dbraw/zinc/69/49/35/702694935.db2.gz YRHWRBZSQJPFCE-ZFWWWQNUSA-N 2 0 336.505 1.954 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)cn2)C(C)(C)C1)[NH+](C)C ZINC000996315118 702703234 /nfs/dbraw/zinc/70/32/34/702703234.db2.gz MHURNTJHVWCRTQ-JKSUJKDBSA-N 2 0 333.480 1.452 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)on1 ZINC000996462904 702790558 /nfs/dbraw/zinc/79/05/58/702790558.db2.gz CMMCINRIHINPPZ-KRWDZBQOSA-N 2 0 334.464 1.936 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996475539 702807563 /nfs/dbraw/zinc/80/75/63/702807563.db2.gz CBYWEQOHFXKUQZ-YOEHRIQHSA-N 2 0 332.448 1.630 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996475591 702807842 /nfs/dbraw/zinc/80/78/42/702807842.db2.gz CLWAHCLMLJYMEJ-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)n1 ZINC000996534221 702848406 /nfs/dbraw/zinc/84/84/06/702848406.db2.gz ONHKSSWDDLOASL-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996519179 702854958 /nfs/dbraw/zinc/85/49/58/702854958.db2.gz NOZFZTJMAJZTHV-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520166 702856205 /nfs/dbraw/zinc/85/62/05/702856205.db2.gz NPZKTBJRQZJSKS-INIZCTEOSA-N 2 0 346.475 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ocnc3C)CC2)CC[N@@H+]1C ZINC000996602987 702912381 /nfs/dbraw/zinc/91/23/81/702912381.db2.gz JMHFKDLQWWUIKY-JKSUJKDBSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996612347 702917361 /nfs/dbraw/zinc/91/73/61/702917361.db2.gz QPIKCVFVGFRNAI-MRXNPFEDSA-N 2 0 331.464 1.207 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996609494 702920665 /nfs/dbraw/zinc/92/06/65/702920665.db2.gz UKGUGOLLODVQHZ-RHSMWYFYSA-N 2 0 346.475 1.511 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996646943 702948743 /nfs/dbraw/zinc/94/87/43/702948743.db2.gz USAXIBFYVOCFJS-AWEZNQCLSA-N 2 0 337.493 1.493 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996662071 702959469 /nfs/dbraw/zinc/95/94/69/702959469.db2.gz OQRHNZGHGWYGGX-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)CCC1 ZINC000996664716 702966843 /nfs/dbraw/zinc/96/68/43/702966843.db2.gz LVWMVVSWBJROQU-GOSISDBHSA-N 2 0 345.487 1.785 20 0 EDADRP O=C([C@@H]1CCCc2nccn21)N1CCC(NCc2cnsn2)CC1 ZINC000996675005 702968653 /nfs/dbraw/zinc/96/86/53/702968653.db2.gz DVTKUEHTTKCJMD-AWEZNQCLSA-N 2 0 346.460 1.393 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996669372 702970995 /nfs/dbraw/zinc/97/09/95/702970995.db2.gz GSVQMXSEKOIGNW-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996675362 702974256 /nfs/dbraw/zinc/97/42/56/702974256.db2.gz FWEIADRIDFBVOK-QGZVFWFLSA-N 2 0 348.495 1.027 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000996680830 702979497 /nfs/dbraw/zinc/97/94/97/702979497.db2.gz VJBLVYLMEOUOEQ-KRWDZBQOSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)on1 ZINC000996688200 702985231 /nfs/dbraw/zinc/98/52/31/702985231.db2.gz GOURVSIXGWRFLY-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000996799836 703085994 /nfs/dbraw/zinc/08/59/94/703085994.db2.gz ZUPAWMDJJNNJGF-UHFFFAOYSA-N 2 0 340.387 1.420 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC000996837606 703124770 /nfs/dbraw/zinc/12/47/70/703124770.db2.gz PPDDBCCTDOIJLA-OAHLLOKOSA-N 2 0 333.476 1.366 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cn1 ZINC000996867483 703140356 /nfs/dbraw/zinc/14/03/56/703140356.db2.gz JNFDKZQORVMUFJ-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnnn3C)CC2)C1 ZINC000996904630 703176495 /nfs/dbraw/zinc/17/64/95/703176495.db2.gz NQRUEMOMHWJKPI-HNNXBMFYSA-N 2 0 348.495 1.018 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000996902997 703177562 /nfs/dbraw/zinc/17/75/62/703177562.db2.gz GKARPDCYRUGSDJ-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000996951601 703222336 /nfs/dbraw/zinc/22/23/36/703222336.db2.gz HCDVLIXIPMSTIW-ZDUSSCGKSA-N 2 0 348.495 1.351 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718127 703231946 /nfs/dbraw/zinc/23/19/46/703231946.db2.gz BVGQVHCEERDKRW-APWZRJJASA-N 2 0 347.503 1.613 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@H](C)c2csnn2)CC1)[NH+](C)C ZINC000996964378 703232669 /nfs/dbraw/zinc/23/26/69/703232669.db2.gz KPEVUFHXEVCYMU-IUODEOHRSA-N 2 0 339.509 1.766 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)c1 ZINC000996995835 703252834 /nfs/dbraw/zinc/25/28/34/703252834.db2.gz RSBLACXTMBQOHZ-MRXNPFEDSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997005083 703262392 /nfs/dbraw/zinc/26/23/92/703262392.db2.gz CFGMBJKHRYMPEH-XJKSGUPXSA-N 2 0 346.475 1.830 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC000997006434 703263308 /nfs/dbraw/zinc/26/33/08/703263308.db2.gz GJNMJVIMDWRTSE-KBXCAEBGSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997009001 703263371 /nfs/dbraw/zinc/26/33/71/703263371.db2.gz NUXUFEJNJWVODH-KSSFIOAISA-N 2 0 330.476 1.668 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997007718 703264858 /nfs/dbraw/zinc/26/48/58/703264858.db2.gz JJBGYONHFDIRKA-YJBOKZPZSA-N 2 0 337.508 1.581 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057111 703302845 /nfs/dbraw/zinc/30/28/45/703302845.db2.gz IWFPFAAFWSTGSQ-UHFFFAOYSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)[nH]1 ZINC000997064139 703308904 /nfs/dbraw/zinc/30/89/04/703308904.db2.gz UKOZGZWZDKKKCQ-CQSZACIVSA-N 2 0 348.495 1.458 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)cc1 ZINC001032052810 703396521 /nfs/dbraw/zinc/39/65/21/703396521.db2.gz BMCJCNLTMVSWKF-IBGZPJMESA-N 2 0 345.487 1.979 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)nn1 ZINC000997176661 703461031 /nfs/dbraw/zinc/46/10/31/703461031.db2.gz AEIDTSPPVHKEPA-YOEHRIQHSA-N 2 0 348.495 1.016 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997182590 703467652 /nfs/dbraw/zinc/46/76/52/703467652.db2.gz GXDOAMXYPPYSEB-ZDUSSCGKSA-N 2 0 346.479 1.105 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)C12CC[NH+](CC1)C2 ZINC000997186984 703476432 /nfs/dbraw/zinc/47/64/32/703476432.db2.gz LPKOZAKMHHITAI-UHFFFAOYSA-N 2 0 344.459 1.728 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997188603 703478486 /nfs/dbraw/zinc/47/84/86/703478486.db2.gz SWOWAOHYJPZZQZ-UHFFFAOYSA-N 2 0 342.447 1.276 20 0 EDADRP COCc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000997297289 703555908 /nfs/dbraw/zinc/55/59/08/703555908.db2.gz FCLILQJDCKHABX-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)s1 ZINC000997298379 703556498 /nfs/dbraw/zinc/55/64/98/703556498.db2.gz IUQWRSDUPYBMGL-AWEZNQCLSA-N 2 0 336.505 1.792 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)sn1 ZINC000997299001 703556697 /nfs/dbraw/zinc/55/66/97/703556697.db2.gz MEAJZEQUISAUSZ-LBPRGKRZSA-N 2 0 338.477 1.184 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)C1 ZINC000997299993 703557451 /nfs/dbraw/zinc/55/74/51/703557451.db2.gz SVBGRZBXZDJGKM-NSHDSACASA-N 2 0 342.896 1.829 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)c1 ZINC000997356364 703587248 /nfs/dbraw/zinc/58/72/48/703587248.db2.gz JIYLTUZMRGVBLK-KRWDZBQOSA-N 2 0 345.487 1.979 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)on1 ZINC000997361983 703596029 /nfs/dbraw/zinc/59/60/29/703596029.db2.gz ZBSMLACUEHDMED-HUUCEWRRSA-N 2 0 334.464 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997366054 703599730 /nfs/dbraw/zinc/59/97/30/703599730.db2.gz XZUBGIVWUFCYHJ-KRWDZBQOSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)cn1 ZINC000997366736 703600760 /nfs/dbraw/zinc/60/07/60/703600760.db2.gz FQMQVHMKVLRVEO-UHFFFAOYSA-N 2 0 345.491 1.742 20 0 EDADRP CC[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2)OC ZINC001032472455 703685905 /nfs/dbraw/zinc/68/59/05/703685905.db2.gz UCHJHZCEMPGTHS-YESZJQIVSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997611185 703910871 /nfs/dbraw/zinc/91/08/71/703910871.db2.gz CXEXIJJHKXNHKI-SFHVURJKSA-N 2 0 345.491 1.252 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000995549873 703933756 /nfs/dbraw/zinc/93/37/56/703933756.db2.gz GDLFZWXBVQPFBK-CVEARBPZSA-N 2 0 334.439 1.642 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995554332 703969251 /nfs/dbraw/zinc/96/92/51/703969251.db2.gz WGNYEDICBYQRKV-GDBMZVCRSA-N 2 0 348.495 1.027 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033080192 704145604 /nfs/dbraw/zinc/14/56/04/704145604.db2.gz FDVFXERSGMJNNJ-WMZOPIPTSA-N 2 0 335.492 1.430 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999308075 706808778 /nfs/dbraw/zinc/80/87/78/706808778.db2.gz OZMFOFWZSQWPCP-RDJZCZTQSA-N 2 0 334.464 1.938 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC001004459525 704453032 /nfs/dbraw/zinc/45/30/32/704453032.db2.gz UOEMHLGVBIBDKM-MSOLQXFVSA-N 2 0 337.508 1.676 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001004464509 704456402 /nfs/dbraw/zinc/45/64/02/704456402.db2.gz PDRRPRHVJZGXKK-MSOLQXFVSA-N 2 0 339.524 1.922 20 0 EDADRP COC[C@H](C)[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997736243 704628437 /nfs/dbraw/zinc/62/84/37/704628437.db2.gz QKIXKXOLOIRBEX-GJZGRUSLSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947936337 704664931 /nfs/dbraw/zinc/66/49/31/704664931.db2.gz VLYNHXYLWBEPEE-XJKSGUPXSA-N 2 0 346.475 1.856 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)o1 ZINC000947936662 704668096 /nfs/dbraw/zinc/66/80/96/704668096.db2.gz XLJDWAITWXJAPU-XJKSGUPXSA-N 2 0 346.475 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnnn2C)CC1 ZINC000997774184 704679047 /nfs/dbraw/zinc/67/90/47/704679047.db2.gz CXRUTALPVPKMFU-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC000997792629 704701381 /nfs/dbraw/zinc/70/13/81/704701381.db2.gz JFSOPZVEYBHPJX-WOSRLPQWSA-N 2 0 348.495 1.343 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC000997794364 704702638 /nfs/dbraw/zinc/70/26/38/704702638.db2.gz ZXEXWZWWKZBMRZ-BFYDXBDKSA-N 2 0 345.491 1.706 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997861933 704772102 /nfs/dbraw/zinc/77/21/02/704772102.db2.gz WZRYIRQDLMEPAC-GUYCJALGSA-N 2 0 348.491 1.960 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2nncs2)CC1)C12CCC[NH+]1CCC2 ZINC000997888971 704791084 /nfs/dbraw/zinc/79/10/84/704791084.db2.gz OVCKKNKSNVWBFA-UHFFFAOYSA-N 2 0 349.504 1.495 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944943556 704796373 /nfs/dbraw/zinc/79/63/73/704796373.db2.gz IPKLTKSIRWVKDB-PBHICJAKSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943688 704796417 /nfs/dbraw/zinc/79/64/17/704796417.db2.gz JLHSUJGRUFMNKE-RHSMWYFYSA-N 2 0 333.480 1.151 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)[C@@H](C)C1 ZINC000945092157 705061638 /nfs/dbraw/zinc/06/16/38/705061638.db2.gz PPZGVUVEDXMIPF-YJBOKZPZSA-N 2 0 333.476 1.835 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077434 705297833 /nfs/dbraw/zinc/29/78/33/705297833.db2.gz FVCMGCJSEFQFLY-TZMCWYRMSA-N 2 0 337.493 1.064 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998081555 705302391 /nfs/dbraw/zinc/30/23/91/705302391.db2.gz JKLYYBDXSFVFDS-KGLIPLIRSA-N 2 0 349.479 1.609 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)C1 ZINC000998081321 705302481 /nfs/dbraw/zinc/30/24/81/705302481.db2.gz JCJMIDGHQFXFDW-CYBMUJFWSA-N 2 0 337.493 1.208 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998216606 705538725 /nfs/dbraw/zinc/53/87/25/705538725.db2.gz IFPHNBNHCIARRG-MRXNPFEDSA-N 2 0 348.466 1.891 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3nncs3)CC2)C1 ZINC000998217695 705540582 /nfs/dbraw/zinc/54/05/82/705540582.db2.gz REGZMRLEBWPZSA-AWEZNQCLSA-N 2 0 337.493 1.208 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000998224141 705552799 /nfs/dbraw/zinc/55/27/99/705552799.db2.gz YQCLTGUZLHHZRF-FUHWJXTLSA-N 2 0 349.519 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000998274110 705654704 /nfs/dbraw/zinc/65/47/04/705654704.db2.gz RATLMLCOOJAAAK-MRXNPFEDSA-N 2 0 346.475 1.832 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998720540 706152298 /nfs/dbraw/zinc/15/22/98/706152298.db2.gz JDTFOITWAYUYJG-IAGOWNOFSA-N 2 0 333.480 1.120 20 0 EDADRP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762808 706201174 /nfs/dbraw/zinc/20/11/74/706201174.db2.gz HOJYKFJOHMVSFI-DQPZFDDXSA-N 2 0 348.495 1.250 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)CC[N@@H+]1C ZINC000998791268 706238372 /nfs/dbraw/zinc/23/83/72/706238372.db2.gz LMNVHGHTENPBDV-AGERRDQYSA-N 2 0 337.508 1.722 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3CC)C2)CC[N@@H+]1C ZINC000998794950 706241726 /nfs/dbraw/zinc/24/17/26/706241726.db2.gz UOSZZGNGXQQLMW-SSHXOBKSSA-N 2 0 348.495 1.107 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998900612 706330372 /nfs/dbraw/zinc/33/03/72/706330372.db2.gz GFSWFVJWZGDKRN-AQFXKWCLSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1cnc(CNC2CC(N(C)C(=O)[C@@H]3CCCc4nccn43)C2)o1 ZINC000998902724 706339497 /nfs/dbraw/zinc/33/94/97/706339497.db2.gz XMYJSTYRJSGEJT-NRXISQOPSA-N 2 0 343.431 1.836 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)[nH]1 ZINC000998982095 706401000 /nfs/dbraw/zinc/40/10/00/706401000.db2.gz AAADRUAWIJTXMS-UHFFFAOYSA-N 2 0 346.479 1.068 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998994862 706412190 /nfs/dbraw/zinc/41/21/90/706412190.db2.gz LQLUCSFVYHTOCL-JCYILVPMSA-N 2 0 333.480 1.292 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999035302 706450647 /nfs/dbraw/zinc/45/06/47/706450647.db2.gz KPBRJXRMQQYONP-LEOMRAHMSA-N 2 0 347.507 1.620 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)CCc3ncc[nH]3)C2)s1 ZINC000999038052 706453684 /nfs/dbraw/zinc/45/36/84/706453684.db2.gz DADNQQYECFDBLM-CYBMUJFWSA-N 2 0 333.461 1.888 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999058574 706479828 /nfs/dbraw/zinc/47/98/28/706479828.db2.gz QKLWAQIXRLLXOS-OOHWJJMZSA-N 2 0 342.443 1.954 20 0 EDADRP Cc1noc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)n1 ZINC000946517461 706527854 /nfs/dbraw/zinc/52/78/54/706527854.db2.gz DPLORFIFAKOBKZ-OWCLPIDISA-N 2 0 347.463 1.143 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000999351262 706864095 /nfs/dbraw/zinc/86/40/95/706864095.db2.gz DUFZLBXSYCUZEM-CVEARBPZSA-N 2 0 348.495 1.159 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)ncn1 ZINC000999374760 706869227 /nfs/dbraw/zinc/86/92/27/706869227.db2.gz JAKOSYQTMIERBS-OAHLLOKOSA-N 2 0 331.464 1.350 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1)C1CC1 ZINC000999376514 706870888 /nfs/dbraw/zinc/87/08/88/706870888.db2.gz WGSWNOGHTAKNOS-ZBFHGGJFSA-N 2 0 336.505 1.606 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407826 706917557 /nfs/dbraw/zinc/91/75/57/706917557.db2.gz HBEIQUXRACRITK-FAEJEUNOSA-N 2 0 347.507 1.885 20 0 EDADRP CCn1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)nn1 ZINC000999407761 706917772 /nfs/dbraw/zinc/91/77/72/706917772.db2.gz GKEAQUPSGYJJDT-UHFFFAOYSA-N 2 0 348.495 1.109 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999408043 706918167 /nfs/dbraw/zinc/91/81/67/706918167.db2.gz ZUGFJROLRJOFAA-FAEJEUNOSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999410510 706920176 /nfs/dbraw/zinc/92/01/76/706920176.db2.gz YFLRTMRGTOXBHV-NVPAJSRCSA-N 2 0 333.480 1.149 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(F)cn3)C2)C1 ZINC000999410554 706920276 /nfs/dbraw/zinc/92/02/76/706920276.db2.gz YUQPXYBSIZBRDK-IGEOTXOUSA-N 2 0 334.439 1.642 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C1)[NH+](C)C ZINC000999433786 706941358 /nfs/dbraw/zinc/94/13/58/706941358.db2.gz LISJRGUWAANODC-WMZOPIPTSA-N 2 0 348.491 1.052 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC000999563455 707060139 /nfs/dbraw/zinc/06/01/39/707060139.db2.gz SPJMSNKLMCUMKF-HZPDHXFCSA-N 2 0 342.443 1.873 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999599860 707102312 /nfs/dbraw/zinc/10/23/12/707102312.db2.gz VPFXOMYOAMLOSE-UHFFFAOYSA-N 2 0 347.507 1.714 20 0 EDADRP Cc1nccnc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005012914 707115838 /nfs/dbraw/zinc/11/58/38/707115838.db2.gz XSMGBUISCRZPGV-WBVHZDCISA-N 2 0 342.447 1.541 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255626 707245317 /nfs/dbraw/zinc/24/53/17/707245317.db2.gz KYMVETYUHGDKLT-HOCLYGCPSA-N 2 0 343.431 1.449 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@H]1CC[N@H+](CCc2scnc2C)C1 ZINC001033264841 707287082 /nfs/dbraw/zinc/28/70/82/707287082.db2.gz DGTLWOHBHJWLCR-HNNXBMFYSA-N 2 0 347.488 1.732 20 0 EDADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)c(C)n1 ZINC000999711409 707306513 /nfs/dbraw/zinc/30/65/13/707306513.db2.gz WXCZUSSIIUXILW-UHFFFAOYSA-N 2 0 342.487 1.873 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999763698 707318330 /nfs/dbraw/zinc/31/83/30/707318330.db2.gz IBRHDKCSOZEHPF-VZDIDWBNSA-N 2 0 333.476 1.230 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999792785 707363953 /nfs/dbraw/zinc/36/39/53/707363953.db2.gz OSUJUQLEUQETMV-ROUUACIJSA-N 2 0 346.475 1.938 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999837114 707473315 /nfs/dbraw/zinc/47/33/15/707473315.db2.gz OBEANUJICYPVNI-NFOMZHRRSA-N 2 0 334.464 1.576 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)C2CC([NH2+]C[C@H](C)O)C2)o1 ZINC000999902510 707543987 /nfs/dbraw/zinc/54/39/87/707543987.db2.gz SDAAFKULJLJVEQ-NFOMZHRRSA-N 2 0 337.464 1.695 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392173 707725216 /nfs/dbraw/zinc/72/52/16/707725216.db2.gz ZJDOXEULMXJSKX-KRWDZBQOSA-N 2 0 333.480 1.103 20 0 EDADRP CC(C)[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001004980612 707823472 /nfs/dbraw/zinc/82/34/72/707823472.db2.gz ALEVAKDULKBJEK-WBVHZDCISA-N 2 0 325.497 1.865 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC001000191035 707831658 /nfs/dbraw/zinc/83/16/58/707831658.db2.gz HPVNPDSCMBNOGK-ZBFHGGJFSA-N 2 0 347.463 1.050 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033225023 707849424 /nfs/dbraw/zinc/84/94/24/707849424.db2.gz CBTACCCAGWIRDX-SJORKVTESA-N 2 0 349.519 1.963 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn3c[nH+]cc3c2)C1)OC ZINC001033229556 707884208 /nfs/dbraw/zinc/88/42/08/707884208.db2.gz CHBICBIHRHICSZ-RDJZCZTQSA-N 2 0 330.432 1.906 20 0 EDADRP CCc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001032781735 707970683 /nfs/dbraw/zinc/97/06/83/707970683.db2.gz HIZGDWJDFGOFNQ-FHWLQOOXSA-N 2 0 327.472 1.986 20 0 EDADRP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001000845240 708072676 /nfs/dbraw/zinc/07/26/76/708072676.db2.gz SHTNKNVEARAJKK-CYBMUJFWSA-N 2 0 328.416 1.960 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](CCF)C2 ZINC001040532714 708111881 /nfs/dbraw/zinc/11/18/81/708111881.db2.gz ZJEBGNTTZONUOP-WMZOPIPTSA-N 2 0 341.471 1.239 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005180079 708123312 /nfs/dbraw/zinc/12/33/12/708123312.db2.gz QFXAKYSVZLXIDY-SFHVURJKSA-N 2 0 330.476 1.907 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033583364 708267715 /nfs/dbraw/zinc/26/77/15/708267715.db2.gz UZBAQZCTPROMOA-ROUUACIJSA-N 2 0 337.508 1.678 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001033660560 708473292 /nfs/dbraw/zinc/47/32/92/708473292.db2.gz IGICCEMSTMAWQC-DOTOQJQBSA-N 2 0 349.450 1.689 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005382988 708817446 /nfs/dbraw/zinc/81/74/46/708817446.db2.gz FQJGYFAIEMFSPY-RDJZCZTQSA-N 2 0 325.497 1.817 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC001002463761 709014690 /nfs/dbraw/zinc/01/46/90/709014690.db2.gz YAQNLWKKPNSTDI-ZWKOTPCHSA-N 2 0 349.450 1.534 20 0 EDADRP C[C@@H](c1cccc(F)c1)[NH+]1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001002537408 709082523 /nfs/dbraw/zinc/08/25/23/709082523.db2.gz XACVKOWECHRZHM-KBXCAEBGSA-N 2 0 349.450 1.798 20 0 EDADRP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@H+](CCO)C1 ZINC001034051729 709280510 /nfs/dbraw/zinc/28/05/10/709280510.db2.gz ZREMBJYKRQJICL-HNNXBMFYSA-N 2 0 337.464 1.650 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CCC2 ZINC000921980606 709348877 /nfs/dbraw/zinc/34/88/77/709348877.db2.gz NRFFHVMWYKITOS-KRWDZBQOSA-N 2 0 340.471 1.765 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921981393 709350657 /nfs/dbraw/zinc/35/06/57/709350657.db2.gz TWWZLQVBYUGFBG-GOSISDBHSA-N 2 0 332.423 1.709 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002832247 709443317 /nfs/dbraw/zinc/44/33/17/709443317.db2.gz LHDVRENLYSABIS-RTBURBONSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002832319 709443335 /nfs/dbraw/zinc/44/33/35/709443335.db2.gz LVNBDXLGWJHJCQ-QAPCUYQASA-N 2 0 335.492 1.335 20 0 EDADRP C[C@H](c1cnccn1)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830134 709465895 /nfs/dbraw/zinc/46/58/95/709465895.db2.gz CGLVJMHZWHLJAT-FZKCQIBNSA-N 2 0 331.464 1.458 20 0 EDADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCn2cncn2)C1)[NH+]1CCCC1 ZINC001034339563 709801109 /nfs/dbraw/zinc/80/11/09/709801109.db2.gz JAVZMXNWAQLAHN-INIZCTEOSA-N 2 0 348.495 1.123 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccn2c[nH+]cc2c1 ZINC000132257767 709830570 /nfs/dbraw/zinc/83/05/70/709830570.db2.gz DQBVDVJTJBNDNE-AWEZNQCLSA-N 2 0 328.416 1.565 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034395044 709932703 /nfs/dbraw/zinc/93/27/03/709932703.db2.gz ULDFZIRVPYVOAO-IAGOWNOFSA-N 2 0 333.480 1.196 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCCO)C2)cc1 ZINC001034405493 709953993 /nfs/dbraw/zinc/95/39/93/709953993.db2.gz RRLASJAPKNJHTO-LJQANCHMSA-N 2 0 347.503 1.757 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001034460166 710076769 /nfs/dbraw/zinc/07/67/69/710076769.db2.gz COCCCJMTZSAHEW-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2ccnn2C)CC1 ZINC001003231761 710153159 /nfs/dbraw/zinc/15/31/59/710153159.db2.gz ZAJJADHCKPNEPQ-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)s1 ZINC001034524204 710172960 /nfs/dbraw/zinc/17/29/60/710172960.db2.gz DZBGEXZQVAUISG-HUUCEWRRSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528261 710181761 /nfs/dbraw/zinc/18/17/61/710181761.db2.gz LDJIHWKWDOYKQE-QGZVFWFLSA-N 2 0 330.476 1.957 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC001034608775 710281947 /nfs/dbraw/zinc/28/19/47/710281947.db2.gz GQPXNKDEUIENHT-RBSFLKMASA-N 2 0 346.479 1.293 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC001034610743 710284669 /nfs/dbraw/zinc/28/46/69/710284669.db2.gz DLLLQYSBWQPHMP-ULQDDVLXSA-N 2 0 346.475 1.701 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1)OC ZINC001003374958 710292867 /nfs/dbraw/zinc/29/28/67/710292867.db2.gz FFFVCHJODUFHEK-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003630859 710460076 /nfs/dbraw/zinc/46/00/76/710460076.db2.gz OPWSHXJWULFKGR-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034658755 710587668 /nfs/dbraw/zinc/58/76/68/710587668.db2.gz FBFNBLRFKVTHEK-KZNAEPCWSA-N 2 0 347.507 1.812 20 0 EDADRP CCO[C@@H](CNC(=O)NC1CC([NH+]2CCCCC2)C1)C[NH+](C)C ZINC000922291989 710728247 /nfs/dbraw/zinc/72/82/47/710728247.db2.gz PCYVGPFMBOVTDJ-GPANFISMSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034694501 710768784 /nfs/dbraw/zinc/76/87/84/710768784.db2.gz VARCVFZLUWUMIA-RVKOJVRFSA-N 2 0 333.476 1.277 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001034704210 710814321 /nfs/dbraw/zinc/81/43/21/710814321.db2.gz KGFICMGOYZUIIL-ULQDDVLXSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034733330 710913550 /nfs/dbraw/zinc/91/35/50/710913550.db2.gz AMOFTWLSFJEUIP-BRWVUGGUSA-N 2 0 333.480 1.242 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC001034734796 710918070 /nfs/dbraw/zinc/91/80/70/710918070.db2.gz ZDSKJQOYZHPUDS-XIRDDKMYSA-N 2 0 345.491 1.644 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)C1 ZINC001034736267 710923459 /nfs/dbraw/zinc/92/34/59/710923459.db2.gz VCYADEWOSRDRQJ-WKILWMFISA-N 2 0 348.495 1.027 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736971 710947725 /nfs/dbraw/zinc/94/77/25/710947725.db2.gz FSXWUNSCJVZSKY-YYQUZTFQSA-N 2 0 334.464 1.698 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032959186 710982954 /nfs/dbraw/zinc/98/29/54/710982954.db2.gz FHPROFBAIOISNH-MJGOQNOKSA-N 2 0 345.487 1.865 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC001034776699 711054022 /nfs/dbraw/zinc/05/40/22/711054022.db2.gz XUUHBPSFYFQHIM-XSLAGTTESA-N 2 0 337.508 1.914 20 0 EDADRP Cc1nc[nH]c1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034787135 711092411 /nfs/dbraw/zinc/09/24/11/711092411.db2.gz YHPQITPMAGTMPK-JYJNAYRXSA-N 2 0 334.464 1.704 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034796582 711128647 /nfs/dbraw/zinc/12/86/47/711128647.db2.gz JSSQMDTXRDCSQX-VGWMRTNUSA-N 2 0 348.495 1.205 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1ccccn1 ZINC001034942333 711395113 /nfs/dbraw/zinc/39/51/13/711395113.db2.gz UMZJONXFFYWVTE-QZTJIDSGSA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1)C1CC1 ZINC001034960559 711410470 /nfs/dbraw/zinc/41/04/70/711410470.db2.gz MMUSBOLHLXKEEM-HUUCEWRRSA-N 2 0 329.435 1.953 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388805 711432537 /nfs/dbraw/zinc/43/25/37/711432537.db2.gz RLJDQIHAJVBMSF-MTNOOBJLSA-N 2 0 331.460 1.355 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3cnccn13)C2 ZINC000922385809 711445501 /nfs/dbraw/zinc/44/55/01/711445501.db2.gz AWHYCCRSLAGMLA-LMSBXDPUSA-N 2 0 329.448 1.299 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1 ZINC001034941910 711447019 /nfs/dbraw/zinc/44/70/19/711447019.db2.gz RGXIEVWKLWYSLI-QZTJIDSGSA-N 2 0 346.450 1.643 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)[C@@H]1C(C)C ZINC000922392737 711458335 /nfs/dbraw/zinc/45/83/35/711458335.db2.gz GVJPFPJUUBRXCX-VXNCWWDNSA-N 2 0 349.523 1.446 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)C3CCCCC3)CC2)C1 ZINC001004151340 711568947 /nfs/dbraw/zinc/56/89/47/711568947.db2.gz WZRHXRXKXNCLRY-WMZOPIPTSA-N 2 0 337.508 1.460 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033121759 711841726 /nfs/dbraw/zinc/84/17/26/711841726.db2.gz HHDLEKRMFMQYMD-AWEZNQCLSA-N 2 0 325.478 1.602 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004474971 711851791 /nfs/dbraw/zinc/85/17/91/711851791.db2.gz QGBPNXDYKRZBBO-IAGOWNOFSA-N 2 0 349.479 1.613 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001004476048 711855618 /nfs/dbraw/zinc/85/56/18/711855618.db2.gz BSGRMGMGKADNIU-FUHWJXTLSA-N 2 0 349.519 1.699 20 0 EDADRP O=C([C@H]1CCCc2nc[nH]c21)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004543420 711954192 /nfs/dbraw/zinc/95/41/92/711954192.db2.gz PGYSLLPJRRYNQQ-DOTOQJQBSA-N 2 0 346.475 1.525 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001004598308 712041248 /nfs/dbraw/zinc/04/12/48/712041248.db2.gz WDBRFMFYJRBWBS-HOCLYGCPSA-N 2 0 348.491 1.771 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)ccn1 ZINC000356253620 282109718 /nfs/dbraw/zinc/10/97/18/282109718.db2.gz LETXDJXPLWSZFC-LJQANCHMSA-N 2 0 346.475 1.580 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069742356 282146136 /nfs/dbraw/zinc/14/61/36/282146136.db2.gz DUDXXJBWBHCPDA-SFHVURJKSA-N 2 0 345.487 1.933 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433007813 282148277 /nfs/dbraw/zinc/14/82/77/282148277.db2.gz BBGXZADOHQHHHB-HNNXBMFYSA-N 2 0 325.478 1.320 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000366405704 295676685 /nfs/dbraw/zinc/67/66/85/295676685.db2.gz NRLLLMJOTYZPRH-JCYILVPMSA-N 2 0 338.496 1.149 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000354836088 282170618 /nfs/dbraw/zinc/17/06/18/282170618.db2.gz AVXFHGJMXBNWEW-MOPGFXCFSA-N 2 0 344.503 1.574 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000174621889 231259867 /nfs/dbraw/zinc/25/98/67/231259867.db2.gz JHVNKJPXWYKQCP-QGZVFWFLSA-N 2 0 336.480 1.143 20 0 EDADRP CC[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+](C)C ZINC000153716858 529622551 /nfs/dbraw/zinc/62/25/51/529622551.db2.gz GYPYTBICAPVFSK-QGZVFWFLSA-N 2 0 346.475 1.663 20 0 EDADRP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000130447161 529627362 /nfs/dbraw/zinc/62/73/62/529627362.db2.gz LIYCSJFGHSKQNC-KRWDZBQOSA-N 2 0 328.464 1.808 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000183342827 529773758 /nfs/dbraw/zinc/77/37/58/529773758.db2.gz XXBPVYFZGMTDKU-UHFFFAOYSA-N 2 0 344.503 1.554 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417743090 290725264 /nfs/dbraw/zinc/72/52/64/290725264.db2.gz WPKZWFIMNZZLFC-QGZVFWFLSA-N 2 0 330.476 1.479 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000560541074 306274020 /nfs/dbraw/zinc/27/40/20/306274020.db2.gz NLHVFZOUYFKYTI-AWEZNQCLSA-N 2 0 328.526 1.549 20 0 EDADRP CCc1[nH]ccc1C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000560603021 306275579 /nfs/dbraw/zinc/27/55/79/306275579.db2.gz OUKCPRSZAKDWRS-XYPWUTKMSA-N 2 0 330.476 1.960 20 0 EDADRP [NH3+]C[C@H](NC(=O)COC1CC[NH2+]CC1)c1ccc2ccccc2c1 ZINC000561193564 306284171 /nfs/dbraw/zinc/28/41/71/306284171.db2.gz IDPMUCOSVZBVCM-SFHVURJKSA-N 2 0 327.428 1.724 20 0 EDADRP COc1ccc([C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000561402166 306287583 /nfs/dbraw/zinc/28/75/83/306287583.db2.gz FJAFHIIXQJVKRS-MJGOQNOKSA-N 2 0 333.476 1.344 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-n2cnnn2)c1 ZINC000150946614 539726293 /nfs/dbraw/zinc/72/62/93/539726293.db2.gz JOGXJVRHIJJJIK-OAHLLOKOSA-N 2 0 343.479 1.339 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000343012044 539775657 /nfs/dbraw/zinc/77/56/57/539775657.db2.gz KVJDYPNSTUZXHQ-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[N@H+](C)C1 ZINC000344775503 539816598 /nfs/dbraw/zinc/81/65/98/539816598.db2.gz VSIJIFLZKHAWKB-ROUUACIJSA-N 2 0 349.475 1.005 20 0 EDADRP C[C@H]1C[C@@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000180999055 234057074 /nfs/dbraw/zinc/05/70/74/234057074.db2.gz KSAUNFKXKOBACU-YJBOKZPZSA-N 2 0 332.492 1.550 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000154984118 539911861 /nfs/dbraw/zinc/91/18/61/539911861.db2.gz PQZSPDDLXVCTKE-KRWDZBQOSA-N 2 0 331.460 1.859 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000562789013 306308948 /nfs/dbraw/zinc/30/89/48/306308948.db2.gz IHJDFVCANNNECP-QFBILLFUSA-N 2 0 344.503 1.991 20 0 EDADRP CCCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CC[NH2+]C1 ZINC000417742238 283002235 /nfs/dbraw/zinc/00/22/35/283002235.db2.gz VYMBBKCSBWEOJG-GOSISDBHSA-N 2 0 344.503 1.869 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)COC2CCC([NH3+])CC2)C1 ZINC000563082113 306318069 /nfs/dbraw/zinc/31/80/69/306318069.db2.gz VSKHXMGJXOWPEP-OFLPRAFFSA-N 2 0 341.496 1.232 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418202808 295884367 /nfs/dbraw/zinc/88/43/67/295884367.db2.gz JJCMRLHAMWJAOK-JLJPHGGASA-N 2 0 336.455 1.768 20 0 EDADRP Cc1ncc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)n1C ZINC000563438462 306333148 /nfs/dbraw/zinc/33/31/48/306333148.db2.gz DKYXTGABJGKGGT-UHFFFAOYSA-N 2 0 328.460 1.975 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CC2CC2)CC1)Cc1ccccc1 ZINC000079859453 138262774 /nfs/dbraw/zinc/26/27/74/138262774.db2.gz UGILHTXYFZMWPQ-IBGZPJMESA-N 2 0 344.503 1.897 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)CC1 ZINC000129852495 138338891 /nfs/dbraw/zinc/33/88/91/138338891.db2.gz VJGUFGVIBYIRBA-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563810225 306348167 /nfs/dbraw/zinc/34/81/67/306348167.db2.gz JSZHIBRAZQVSHD-QRVBRYPASA-N 2 0 343.471 1.618 20 0 EDADRP CC(C)c1nc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c2ccccn21 ZINC000563965014 306353695 /nfs/dbraw/zinc/35/36/95/306353695.db2.gz RXBXSAOLQPVQOD-KRWDZBQOSA-N 2 0 343.475 1.887 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000414861904 283350200 /nfs/dbraw/zinc/35/02/00/283350200.db2.gz GOMVSMUQTIHFEG-UHFFFAOYSA-N 3 0 345.535 1.213 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000564318541 306358120 /nfs/dbraw/zinc/35/81/20/306358120.db2.gz MRJBLPMPBXHTMO-ZWKOTPCHSA-N 2 0 330.476 1.846 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC12CCOCC2 ZINC000564655525 306362252 /nfs/dbraw/zinc/36/22/52/306362252.db2.gz MPXITHUCKMWWTI-FXAWDEMLSA-N 2 0 343.471 1.132 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1[NH2+]CCc2ccccc21 ZINC000564716509 306363444 /nfs/dbraw/zinc/36/34/44/306363444.db2.gz JVWWSMRLIKEUAL-SFHVURJKSA-N 2 0 337.427 1.317 20 0 EDADRP C[N@H+](C[C@@H](O)CNc1ccc(CC[NH+]2CCOCC2)cc1)C1CC1 ZINC000564723467 306363687 /nfs/dbraw/zinc/36/36/87/306363687.db2.gz JZXVKLKIFJGPQJ-IBGZPJMESA-N 2 0 333.476 1.428 20 0 EDADRP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564870596 306367914 /nfs/dbraw/zinc/36/79/14/306367914.db2.gz AHORPIHHNUKSRO-QZTJIDSGSA-N 2 0 347.503 1.313 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000182747098 138778406 /nfs/dbraw/zinc/77/84/06/138778406.db2.gz VPJNLJOXSNYLOA-LJQANCHMSA-N 2 0 341.540 1.514 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000129462479 223058874 /nfs/dbraw/zinc/05/88/74/223058874.db2.gz FCELFQGXFGIMCW-QGZVFWFLSA-N 2 0 348.491 1.720 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)C1 ZINC000187935236 138830006 /nfs/dbraw/zinc/83/00/06/138830006.db2.gz PUMMPISSBFUUIW-RBUKOAKNSA-N 2 0 345.487 1.912 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ncc(Cl)s2)(N2CCOCC2)CC1 ZINC000414477318 304117252 /nfs/dbraw/zinc/11/72/52/304117252.db2.gz BEVIHOFULQQQJH-UHFFFAOYSA-N 2 0 344.912 1.683 20 0 EDADRP COc1ccc(C)cc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414479670 304118006 /nfs/dbraw/zinc/11/80/06/304118006.db2.gz HRZNDDLHBAKMFP-UHFFFAOYSA-N 2 0 347.503 1.890 20 0 EDADRP C[C@H](CCOCc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566128761 306399074 /nfs/dbraw/zinc/39/90/74/306399074.db2.gz JRTALIGJIRAATL-MJGOQNOKSA-N 2 0 335.492 1.180 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000414725235 304133491 /nfs/dbraw/zinc/13/34/91/304133491.db2.gz HSIUQISPIZAQIH-OAHLLOKOSA-N 2 0 333.480 1.866 20 0 EDADRP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370122605 296103409 /nfs/dbraw/zinc/10/34/09/296103409.db2.gz OGRFJUFVTBYGLU-IEBWSBKVSA-N 2 0 349.519 1.964 20 0 EDADRP CCCn1nccc1C1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414734338 304134685 /nfs/dbraw/zinc/13/46/85/304134685.db2.gz DNJCRNNPWHLBHH-MRXNPFEDSA-N 2 0 347.507 1.670 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000414743714 304136153 /nfs/dbraw/zinc/13/61/53/304136153.db2.gz VZDHXDZYELBGOA-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP Cc1ccc(OCC(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000414745981 304136448 /nfs/dbraw/zinc/13/64/48/304136448.db2.gz LDRKHNAAYGROQY-QZTJIDSGSA-N 2 0 345.487 1.906 20 0 EDADRP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c(C)c1 ZINC000414782331 304140244 /nfs/dbraw/zinc/14/02/44/304140244.db2.gz OPFQRQZFPOCNOA-QGZVFWFLSA-N 2 0 332.492 1.905 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000566845143 306430006 /nfs/dbraw/zinc/43/00/06/306430006.db2.gz SHNZUEPXOIHTDB-DOTOQJQBSA-N 2 0 332.448 1.575 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000415028662 304152013 /nfs/dbraw/zinc/15/20/13/304152013.db2.gz CXCBBAHLPOIOOV-NOLJZWGESA-N 2 0 330.432 1.197 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000415048353 304154350 /nfs/dbraw/zinc/15/43/50/304154350.db2.gz WUMWTYLQZXMQJM-NVXWUHKLSA-N 2 0 331.460 1.809 20 0 EDADRP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C[C@@H](O)C[NH3+] ZINC000415070940 304157040 /nfs/dbraw/zinc/15/70/40/304157040.db2.gz RSIITBLZBATCHA-ZDUSSCGKSA-N 2 0 328.338 1.643 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000415075475 304157811 /nfs/dbraw/zinc/15/78/11/304157811.db2.gz BNNRHNDCMNIWFF-JKSUJKDBSA-N 2 0 341.459 1.720 20 0 EDADRP CC(C)C[C@@H]([NH3+])CNCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000415092978 304159274 /nfs/dbraw/zinc/15/92/74/304159274.db2.gz UOKLKHOBXLWTHO-RTBURBONSA-N 2 0 346.519 1.847 20 0 EDADRP CC(C)[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)C1(CO)CCCC1 ZINC000415108373 304160778 /nfs/dbraw/zinc/16/07/78/304160778.db2.gz QATIXINQAMVIDH-WBVHZDCISA-N 2 0 325.497 1.351 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000415137093 304163197 /nfs/dbraw/zinc/16/31/97/304163197.db2.gz DVGMERROUFWEDX-BBRMVZONSA-N 2 0 330.432 1.040 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000236725371 139029664 /nfs/dbraw/zinc/02/96/64/139029664.db2.gz TYMNPSYHARJJMG-INIZCTEOSA-N 2 0 325.497 1.853 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236750567 139030330 /nfs/dbraw/zinc/03/03/30/139030330.db2.gz KOYHNBMYOMIPFQ-MRXNPFEDSA-N 2 0 348.495 1.587 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236959753 139036475 /nfs/dbraw/zinc/03/64/75/139036475.db2.gz OKHXZTHDVSSSGH-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP C[NH2+]CC1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000237080168 139039958 /nfs/dbraw/zinc/03/99/58/139039958.db2.gz OPUJKJYBCCXQSI-UHFFFAOYSA-N 2 0 344.503 1.506 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137181 139041841 /nfs/dbraw/zinc/04/18/41/139041841.db2.gz GDIKHLURMSEYMO-RTBURBONSA-N 2 0 344.503 1.390 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000237214283 139044563 /nfs/dbraw/zinc/04/45/63/139044563.db2.gz YVJUKHVYQSYULY-ZWKOTPCHSA-N 2 0 330.476 1.291 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)([NH+](C)C)C1 ZINC000237511848 139053045 /nfs/dbraw/zinc/05/30/45/139053045.db2.gz FMAXTLCLQAGCMR-RDTXWAMCSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237609499 139055586 /nfs/dbraw/zinc/05/55/86/139055586.db2.gz ZZTOWLLPNWPMTB-IRXDYDNUSA-N 2 0 336.524 1.665 20 0 EDADRP C[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237608267 139055631 /nfs/dbraw/zinc/05/56/31/139055631.db2.gz SLZGKBUYHGEVMH-CRAIPNDOSA-N 2 0 332.492 1.465 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1ccc(N2CCCCCC2)nc1 ZINC000237903616 139063341 /nfs/dbraw/zinc/06/33/41/139063341.db2.gz UGDOEABRDAMVLF-KRWDZBQOSA-N 2 0 346.475 1.847 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415251790 304179227 /nfs/dbraw/zinc/17/92/27/304179227.db2.gz AFIWAQNRYOHFOK-KRWDZBQOSA-N 2 0 344.459 1.212 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000245930338 139090409 /nfs/dbraw/zinc/09/04/09/139090409.db2.gz SGZKYWPCHRQUDJ-CRAIPNDOSA-N 2 0 336.480 1.119 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N3CCC(C)CC3)C2)CC1 ZINC000245935302 139090637 /nfs/dbraw/zinc/09/06/37/139090637.db2.gz SBXJBXMRAIAHEV-MSOLQXFVSA-N 2 0 336.524 1.345 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000246032345 139092883 /nfs/dbraw/zinc/09/28/83/139092883.db2.gz NTOXHNAIQNIBHN-GJZGRUSLSA-N 2 0 336.484 1.639 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000246488112 139110467 /nfs/dbraw/zinc/11/04/67/139110467.db2.gz SBEWABGAXRELCP-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000415305664 304190125 /nfs/dbraw/zinc/19/01/25/304190125.db2.gz WVANBABFCONTMY-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000415314611 304192602 /nfs/dbraw/zinc/19/26/02/304192602.db2.gz GRSXNRSGHFOFCP-QGZVFWFLSA-N 2 0 344.459 1.431 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)NCc2ccco2)[C@@H](C)C1 ZINC000247077054 139134505 /nfs/dbraw/zinc/13/45/05/139134505.db2.gz OPALXYMZZDGGGK-RDJZCZTQSA-N 2 0 337.464 1.622 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@@H](O)C[NH3+])c2)CC1 ZINC000415383770 304210206 /nfs/dbraw/zinc/21/02/06/304210206.db2.gz CCRRIFIWNZHVIK-SFHVURJKSA-N 2 0 348.491 1.744 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248168114 139159233 /nfs/dbraw/zinc/15/92/33/139159233.db2.gz UEWRFUCBWNQLEN-NSHGMRRFSA-N 2 0 345.535 1.518 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)CC[NH2+]CC2 ZINC000333552564 296294221 /nfs/dbraw/zinc/29/42/21/296294221.db2.gz JRMMPUAFVKYVOW-GDBMZVCRSA-N 2 0 331.464 1.412 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+]2CCCC2)c1 ZINC000261711928 139219597 /nfs/dbraw/zinc/21/95/97/139219597.db2.gz ITASRVDIALURGE-KURKYZTESA-N 2 0 347.459 1.455 20 0 EDADRP CCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261930653 139237988 /nfs/dbraw/zinc/23/79/88/139237988.db2.gz LNLFMJSOEWCMIZ-GJZGRUSLSA-N 2 0 335.452 1.054 20 0 EDADRP C[C@@H]1CC[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000262074884 139248863 /nfs/dbraw/zinc/24/88/63/139248863.db2.gz KGSSZWQCAJZSOH-GOSISDBHSA-N 2 0 344.503 1.405 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000262121123 139252616 /nfs/dbraw/zinc/25/26/16/139252616.db2.gz JWXQAQOIQYTGPL-CXAGYDPISA-N 2 0 333.480 1.924 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416009539 251046279 /nfs/dbraw/zinc/04/62/79/251046279.db2.gz PIQJOTHDJMBFFF-VXGBXAGGSA-N 2 0 340.390 1.018 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000416883398 251117580 /nfs/dbraw/zinc/11/75/80/251117580.db2.gz BNKABKMDYUASEM-SFHVURJKSA-N 2 0 346.475 1.542 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417020149 251134988 /nfs/dbraw/zinc/13/49/88/251134988.db2.gz RRRFTIDZBWKLQH-CRAIPNDOSA-N 2 0 330.476 1.814 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000417021062 251136658 /nfs/dbraw/zinc/13/66/58/251136658.db2.gz JTODVOZJMJCJRO-GBESFXJTSA-N 2 0 342.487 1.814 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416999238 251124832 /nfs/dbraw/zinc/12/48/32/251124832.db2.gz BSDLTENILUCMKA-ROUUACIJSA-N 2 0 332.492 1.848 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000417000688 251125514 /nfs/dbraw/zinc/12/55/14/251125514.db2.gz ZAJCDQOXGKXACJ-MAUKXSAKSA-N 2 0 348.491 1.896 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417087391 251141407 /nfs/dbraw/zinc/14/14/07/251141407.db2.gz ZYNVJAWNGPNNJC-MSOLQXFVSA-N 2 0 330.476 1.826 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000417317100 251156319 /nfs/dbraw/zinc/15/63/19/251156319.db2.gz VNYCGIMCMKYYNZ-MJGOQNOKSA-N 2 0 330.476 1.993 20 0 EDADRP C[C@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262364628 139273431 /nfs/dbraw/zinc/27/34/31/139273431.db2.gz KVAIEMDQKVSTNJ-KXBFYZLASA-N 2 0 345.487 1.404 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417434684 251172892 /nfs/dbraw/zinc/17/28/92/251172892.db2.gz ACVUEPKVAFWGQF-GOEBONIOSA-N 2 0 326.485 1.399 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417438653 251174662 /nfs/dbraw/zinc/17/46/62/251174662.db2.gz KBWLQTGWUCBTEJ-GOSISDBHSA-N 2 0 344.459 1.717 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417573027 251192571 /nfs/dbraw/zinc/19/25/71/251192571.db2.gz WHPBOKSKGZBPLG-ZWKOTPCHSA-N 2 0 348.491 1.877 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262392123 139275598 /nfs/dbraw/zinc/27/55/98/139275598.db2.gz OIBFPDKRKSDRJV-GOSISDBHSA-N 2 0 347.459 1.208 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000417634262 251210284 /nfs/dbraw/zinc/21/02/84/251210284.db2.gz VHRCXGMMIKWLFR-KBMXLJTQSA-N 2 0 334.464 1.090 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C[NH3+])C2)[C@H](C)C1 ZINC000417669652 251221470 /nfs/dbraw/zinc/22/14/70/251221470.db2.gz MNWDEDAHVGSRTR-RYRKJORJSA-N 2 0 340.512 1.504 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000417751092 251254280 /nfs/dbraw/zinc/25/42/80/251254280.db2.gz LBFXOAZZESKFHB-HOTGVXAUSA-N 2 0 327.517 1.077 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417758540 251257242 /nfs/dbraw/zinc/25/72/42/251257242.db2.gz CIKAWIWBORNQJU-INIZCTEOSA-N 2 0 339.528 1.219 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417792422 251272543 /nfs/dbraw/zinc/27/25/43/251272543.db2.gz KCLBLICHIJRQJR-KBPBESRZSA-N 2 0 330.423 1.547 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000417798851 251274311 /nfs/dbraw/zinc/27/43/11/251274311.db2.gz AXJBQIWQYHVZAR-CABCVRRESA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417823467 251284901 /nfs/dbraw/zinc/28/49/01/251284901.db2.gz KXDAOVUBAURHSX-NQYYFHDYSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417880066 251310772 /nfs/dbraw/zinc/31/07/72/251310772.db2.gz SJRPSECCPNDSGM-OWYHZJEWSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418077156 251321433 /nfs/dbraw/zinc/32/14/33/251321433.db2.gz SOXDGVGSXGFRTQ-RDJZCZTQSA-N 2 0 334.464 1.314 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCO1 ZINC000418109434 251324520 /nfs/dbraw/zinc/32/45/20/251324520.db2.gz CSRNTOYLLOPDLL-YYIAUSFCSA-N 2 0 338.496 1.175 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262531767 139284567 /nfs/dbraw/zinc/28/45/67/139284567.db2.gz MCPRMPQPZCQIGJ-OWCLPIDISA-N 2 0 345.487 1.768 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418346190 251362293 /nfs/dbraw/zinc/36/22/93/251362293.db2.gz UIVDOHOAYNIKDZ-KRWDZBQOSA-N 2 0 333.480 1.545 20 0 EDADRP CN(C(=O)N[C@H]1CCC[NH2+]C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000418384815 251364441 /nfs/dbraw/zinc/36/44/41/251364441.db2.gz PBRSQGCOPNUEIJ-LBPRGKRZSA-N 2 0 336.402 1.797 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418719823 251397242 /nfs/dbraw/zinc/39/72/42/251397242.db2.gz LEDVQIMZTJIXIR-CVEARBPZSA-N 2 0 339.528 1.171 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CCCC1)c1ccccc1 ZINC000262550894 139286034 /nfs/dbraw/zinc/28/60/34/139286034.db2.gz TUGMKAJRBVUPEN-UAGQMJEPSA-N 2 0 331.460 1.489 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418638330 251382336 /nfs/dbraw/zinc/38/23/36/251382336.db2.gz KNJVECVKCWPUQV-AEFFLSMTSA-N 2 0 332.492 1.955 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000262586029 139288459 /nfs/dbraw/zinc/28/84/59/139288459.db2.gz OUPCBQANBSKLSY-UHFFFAOYSA-N 2 0 333.480 1.037 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)c1 ZINC000262658696 139293840 /nfs/dbraw/zinc/29/38/40/139293840.db2.gz VZQJHCUPUZDOJK-UAGQMJEPSA-N 2 0 344.459 1.660 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCC(C)CC1 ZINC000262729305 139299526 /nfs/dbraw/zinc/29/95/26/139299526.db2.gz HUWBGNTXLJQPLC-JKSUJKDBSA-N 2 0 333.480 1.658 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262740938 139300338 /nfs/dbraw/zinc/30/03/38/139300338.db2.gz JHNMKIYKUJTCBT-MRXNPFEDSA-N 2 0 331.464 1.412 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1C[NH+](C)C ZINC000415594413 304235205 /nfs/dbraw/zinc/23/52/05/304235205.db2.gz KQYBLTPOCNVCPY-USXIJHARSA-N 2 0 344.459 1.191 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cc2)NC(=O)NC1=O ZINC000422874697 252008608 /nfs/dbraw/zinc/00/86/08/252008608.db2.gz AOSGVOSFWYAIEK-IIDMSEBBSA-N 2 0 330.432 1.491 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000262894271 139311034 /nfs/dbraw/zinc/31/10/34/139311034.db2.gz XDNVHRQHILETLR-APWZRJJASA-N 2 0 344.503 1.945 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000422879001 252010713 /nfs/dbraw/zinc/01/07/13/252010713.db2.gz JXHPSWLHXBVIMQ-SFHVURJKSA-N 2 0 330.476 1.306 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000422886391 252011491 /nfs/dbraw/zinc/01/14/91/252011491.db2.gz WPXGCYMWACGIBT-GDBMZVCRSA-N 2 0 349.475 1.688 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422897022 252015745 /nfs/dbraw/zinc/01/57/45/252015745.db2.gz BCZLUIBUBONONL-UKPHBRMFSA-N 2 0 347.459 1.289 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344310 252047572 /nfs/dbraw/zinc/04/75/72/252047572.db2.gz XPGIHMNGNXRLDN-GJZGRUSLSA-N 2 0 333.480 1.349 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423346831 252047654 /nfs/dbraw/zinc/04/76/54/252047654.db2.gz PTHXGLWZHDQXSW-GJZGRUSLSA-N 2 0 331.464 1.577 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424142122 252141555 /nfs/dbraw/zinc/14/15/55/252141555.db2.gz UYBYSVTVQWHJQE-CVEARBPZSA-N 2 0 342.447 1.235 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424147498 252143686 /nfs/dbraw/zinc/14/36/86/252143686.db2.gz RHORECHIQOPBAZ-LSDHHAIUSA-N 2 0 334.468 1.007 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)c3cn[nH]c3[C@@H]3CCC[NH2+]C3)cc2C1 ZINC000424154498 252147571 /nfs/dbraw/zinc/14/75/71/252147571.db2.gz MNQIBSHADQIBNI-DGCLKSJQSA-N 2 0 340.431 1.340 20 0 EDADRP Cn1cc(C(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424159309 252149061 /nfs/dbraw/zinc/14/90/61/252149061.db2.gz VKLNIUFBROMSJD-AYDFFVQHSA-N 2 0 331.464 1.087 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000424217546 252165692 /nfs/dbraw/zinc/16/56/92/252165692.db2.gz MCTXUPMCPHVKEI-HNNXBMFYSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424130288 252134558 /nfs/dbraw/zinc/13/45/58/252134558.db2.gz HIMAIVKUMPDIBX-HNNXBMFYSA-N 2 0 334.468 1.147 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424137266 252138834 /nfs/dbraw/zinc/13/88/34/252138834.db2.gz BWBACHCNZXXEEW-HOTGVXAUSA-N 2 0 347.507 1.691 20 0 EDADRP Cc1cccn2c(=O)cc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)nc12 ZINC000424285048 252190594 /nfs/dbraw/zinc/19/05/94/252190594.db2.gz DZEULQKJXLDLSU-OAHLLOKOSA-N 2 0 326.444 1.967 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000424467192 252241027 /nfs/dbraw/zinc/24/10/27/252241027.db2.gz MPWNMJHDKIYKEB-XJKSGUPXSA-N 2 0 332.448 1.191 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424473647 252245057 /nfs/dbraw/zinc/24/50/57/252245057.db2.gz HOBZEFFPCASBBZ-BRSBDYLESA-N 2 0 346.475 1.710 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424476024 252245995 /nfs/dbraw/zinc/24/59/95/252245995.db2.gz ZUEZOMNLMDAVPM-INIZCTEOSA-N 2 0 332.448 1.383 20 0 EDADRP COCCC[NH+]1CCC(NCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425901004 252313211 /nfs/dbraw/zinc/31/32/11/252313211.db2.gz PGLURBJRMPMWEI-UHFFFAOYSA-N 2 0 336.480 1.732 20 0 EDADRP COCCN1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358046402 285011973 /nfs/dbraw/zinc/01/19/73/285011973.db2.gz ZFSWRQIXROYBOM-IRXDYDNUSA-N 2 0 327.513 1.576 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000449931565 285015357 /nfs/dbraw/zinc/01/53/57/285015357.db2.gz PFKXZTFCNFPJAW-SFHVURJKSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C[C@@H]1[NH+](C)C ZINC000362668452 207680454 /nfs/dbraw/zinc/68/04/54/207680454.db2.gz JJBMRXOUMRQPHB-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)ccn1 ZINC000153588290 224126899 /nfs/dbraw/zinc/12/68/99/224126899.db2.gz FTNFDEVFQGNLCH-INIZCTEOSA-N 2 0 349.479 1.258 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[C@@](C)(C[NH3+])C3)ccc21 ZINC000415682707 304255715 /nfs/dbraw/zinc/25/57/15/304255715.db2.gz BSLREBHKJZSAFE-LPHOPBHVSA-N 2 0 344.459 1.371 20 0 EDADRP C[C@@]1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000430709773 254513959 /nfs/dbraw/zinc/51/39/59/254513959.db2.gz ZCPXLHAHJFNZLQ-LJQANCHMSA-N 2 0 331.460 1.777 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+](C)CCOC)c1 ZINC000263765818 139358873 /nfs/dbraw/zinc/35/88/73/139358873.db2.gz MENGCWLICOAZQC-UHFFFAOYSA-N 2 0 336.480 1.516 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000488582213 255045197 /nfs/dbraw/zinc/04/51/97/255045197.db2.gz WHLWRPKKMSIGMW-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740395 255260150 /nfs/dbraw/zinc/26/01/50/255260150.db2.gz PGVLWTMRVMWRGS-GASCZTMLSA-N 2 0 334.464 1.511 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000495996838 255339044 /nfs/dbraw/zinc/33/90/44/255339044.db2.gz ZKDFZCKJGFPSKM-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](CCCNC(=O)OC(C)(C)C)CC1 ZINC000496353593 255385425 /nfs/dbraw/zinc/38/54/25/255385425.db2.gz AGYXUXJGJIITGW-UHFFFAOYSA-N 2 0 329.485 1.944 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578497 285276573 /nfs/dbraw/zinc/27/65/73/285276573.db2.gz LENUQFOMEIJFQA-KRWDZBQOSA-N 2 0 349.523 1.834 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000118879801 221200717 /nfs/dbraw/zinc/20/07/17/221200717.db2.gz VHDGEDPWDWCHQX-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358003227 285321660 /nfs/dbraw/zinc/32/16/60/285321660.db2.gz NFFDUZKTOLGIJT-IAGOWNOFSA-N 2 0 341.544 1.288 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262641563 285322102 /nfs/dbraw/zinc/32/21/02/285322102.db2.gz KXSFMGUZSGKLJR-ZIFCJYIRSA-N 2 0 346.519 1.712 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000417308811 285324209 /nfs/dbraw/zinc/32/42/09/285324209.db2.gz IESAXHUMROBBDH-HKUYNNGSSA-N 2 0 348.491 1.666 20 0 EDADRP CCOCCC[NH+]1CCC(CC(=O)N2CCN(CC)CC2)CC1 ZINC000119565311 221349445 /nfs/dbraw/zinc/34/94/45/221349445.db2.gz GVQXVGILKXBZND-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000415906755 304284827 /nfs/dbraw/zinc/28/48/27/304284827.db2.gz LRGVSUYPXKQJKW-HNNXBMFYSA-N 2 0 333.480 1.554 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000415924022 304285591 /nfs/dbraw/zinc/28/55/91/304285591.db2.gz QHSUVYPQTFAHQC-CQSZACIVSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@@H]1[NH+](C)C ZINC000270590462 140129713 /nfs/dbraw/zinc/12/97/13/140129713.db2.gz CDKAAHVAMSDBRS-HOCLYGCPSA-N 2 0 349.479 1.114 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[NH2+]CC3)c(C)c2)CC1 ZINC000333082437 141260611 /nfs/dbraw/zinc/26/06/11/141260611.db2.gz AYVSTHMITXUARD-UHFFFAOYSA-N 2 0 345.491 1.964 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000333226146 141283918 /nfs/dbraw/zinc/28/39/18/141283918.db2.gz XKAYGYJABVYLKZ-HOTGVXAUSA-N 2 0 345.491 1.961 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000333330761 141300554 /nfs/dbraw/zinc/30/05/54/141300554.db2.gz OFNXXGSZEGZHJP-AWEZNQCLSA-N 2 0 331.464 1.751 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000333732429 141368242 /nfs/dbraw/zinc/36/82/42/141368242.db2.gz WIJNSKNHEUTOAD-DZGCQCFKSA-N 2 0 333.436 1.062 20 0 EDADRP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810111 141385725 /nfs/dbraw/zinc/38/57/25/141385725.db2.gz FKJFSZNHBBEITN-HZMVEIRTSA-N 2 0 335.492 1.382 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333833151 141390620 /nfs/dbraw/zinc/39/06/20/141390620.db2.gz JTVFSHRVMRIWKU-CGTJXYLNSA-N 2 0 337.508 1.852 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCCCn1ccnc1 ZINC000339526272 142066204 /nfs/dbraw/zinc/06/62/04/142066204.db2.gz CJYSSBZGHRLBLS-INIZCTEOSA-N 2 0 349.479 1.160 20 0 EDADRP C[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCCC1)C(C)(C)C[NH+](C)C ZINC000339649325 142107441 /nfs/dbraw/zinc/10/74/41/142107441.db2.gz UKWVQXYRSQABQC-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000340347066 142352469 /nfs/dbraw/zinc/35/24/69/142352469.db2.gz GLFATQFDSSZLSF-HOTGVXAUSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000342039038 142678323 /nfs/dbraw/zinc/67/83/23/142678323.db2.gz CKZJQELURARTKF-INIZCTEOSA-N 2 0 340.512 1.207 20 0 EDADRP CC[C@@H](C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1)[NH+](CC)CC ZINC000345319694 143077469 /nfs/dbraw/zinc/07/74/69/143077469.db2.gz YBCNOVRGQNMEHA-INIZCTEOSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345630355 143114272 /nfs/dbraw/zinc/11/42/72/143114272.db2.gz LTNPVPCMEVBNFS-INIZCTEOSA-N 2 0 342.528 1.453 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000345701589 143123073 /nfs/dbraw/zinc/12/30/73/143123073.db2.gz WLHDHOHVCPJERI-CYBMUJFWSA-N 2 0 333.423 1.368 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000345726851 143126191 /nfs/dbraw/zinc/12/61/91/143126191.db2.gz YSGOZKWCQGQIKW-LBPRGKRZSA-N 2 0 328.363 1.498 20 0 EDADRP C[C@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000346101218 143167746 /nfs/dbraw/zinc/16/77/46/143167746.db2.gz CHCXMBUGKUJCPE-QGZVFWFLSA-N 2 0 344.503 1.139 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@H+](C)C1 ZINC000346700960 143234211 /nfs/dbraw/zinc/23/42/11/143234211.db2.gz JBFNEWMVTSBBTC-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP COC1CC([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)C1 ZINC000347324319 143308505 /nfs/dbraw/zinc/30/85/05/143308505.db2.gz ZOURDFDEQIQGRA-AOCRQIFASA-N 2 0 331.460 1.651 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000347428087 143319857 /nfs/dbraw/zinc/31/98/57/143319857.db2.gz YVOIPRLJDAUDKZ-NSHDSACASA-N 2 0 331.258 1.080 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347719932 143354088 /nfs/dbraw/zinc/35/40/88/143354088.db2.gz CWMWCRYEOZCTIO-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000348033324 143394078 /nfs/dbraw/zinc/39/40/78/143394078.db2.gz YRKVRMAIEPYDMZ-GOSISDBHSA-N 2 0 332.448 1.137 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[N@H+](C)C1 ZINC000348054223 143396182 /nfs/dbraw/zinc/39/61/82/143396182.db2.gz WYOKUMJNUKLGBN-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP COC1(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)CCOCC1 ZINC000368050454 292111109 /nfs/dbraw/zinc/11/11/09/292111109.db2.gz GEKCGPLXXVDWGO-QGZVFWFLSA-N 2 0 325.497 1.141 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC000414968339 285873303 /nfs/dbraw/zinc/87/33/03/285873303.db2.gz FKIURIKXTUKAFH-ARFHVFGLSA-N 2 0 326.481 1.960 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000369766808 155168969 /nfs/dbraw/zinc/16/89/69/155168969.db2.gz ODNWTTHPLTUGRT-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416822681 304350082 /nfs/dbraw/zinc/35/00/82/304350082.db2.gz XQDGHLWURSHORD-JSGCOSHPSA-N 2 0 338.452 1.214 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000416840314 304350670 /nfs/dbraw/zinc/35/06/70/304350670.db2.gz LBLFZYCUFPBSBC-ULQDDVLXSA-N 2 0 334.464 1.044 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000416845421 304351393 /nfs/dbraw/zinc/35/13/93/304351393.db2.gz RSAPHKYCVUMQFO-OKZBNKHCSA-N 2 0 328.460 1.512 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[C@@H](C)C1 ZINC000417666629 286058570 /nfs/dbraw/zinc/05/85/70/286058570.db2.gz DJYDWBWGZPRTCH-YHUYYLMFSA-N 2 0 326.485 1.255 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000417667394 286061140 /nfs/dbraw/zinc/06/11/40/286061140.db2.gz GRIBJLVQQUXYSY-ULQDDVLXSA-N 2 0 340.512 1.565 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1)C(C)C ZINC000340485809 149052673 /nfs/dbraw/zinc/05/26/73/149052673.db2.gz FZALPXMMMAXFFB-UHFFFAOYSA-N 2 0 348.491 1.211 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000353132994 149298281 /nfs/dbraw/zinc/29/82/81/149298281.db2.gz ZRQISKWONIWELE-UHFFFAOYSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(Cc2ccc(N3CCCC3)nc2)CC1 ZINC000353299832 149356352 /nfs/dbraw/zinc/35/63/52/149356352.db2.gz FQAUDLSAQKFNRB-MRXNPFEDSA-N 2 0 332.492 1.959 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)Nc2ccn3ccnc3c2)C[C@H](C)O1 ZINC000353334869 149369771 /nfs/dbraw/zinc/36/97/71/149369771.db2.gz ZFKBEQAXEBNFCS-KBPBESRZSA-N 2 0 331.420 1.955 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H](C)O1 ZINC000416960178 304355575 /nfs/dbraw/zinc/35/55/75/304355575.db2.gz ZOWRKZBTTWBKTG-FPCVCCKLSA-N 2 0 326.485 1.302 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000353460541 149414314 /nfs/dbraw/zinc/41/43/14/149414314.db2.gz OXVIZMSZWVKIAU-HZPDHXFCSA-N 2 0 332.448 1.903 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000416964679 304356447 /nfs/dbraw/zinc/35/64/47/304356447.db2.gz CHTUURVTXWXCQN-UHFFFAOYSA-N 2 0 332.448 1.346 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000416966395 304356728 /nfs/dbraw/zinc/35/67/28/304356728.db2.gz YFPJMHMXQGTLGM-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000416971691 304357795 /nfs/dbraw/zinc/35/77/95/304357795.db2.gz DPBGDBFQTNDGFO-NVXWUHKLSA-N 2 0 348.491 1.753 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000416974144 304358775 /nfs/dbraw/zinc/35/87/75/304358775.db2.gz WJHDURLOPCZLSO-CGTJXYLNSA-N 2 0 346.475 1.506 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000416975664 304358934 /nfs/dbraw/zinc/35/89/34/304358934.db2.gz ZINHOLLJPWHVII-MPGHIAIKSA-N 2 0 348.491 1.832 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416975666 304359131 /nfs/dbraw/zinc/35/91/31/304359131.db2.gz ZINHOLLJPWHVII-RVKKMQEKSA-N 2 0 348.491 1.832 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416978264 304359742 /nfs/dbraw/zinc/35/97/42/304359742.db2.gz CONFYQASWWYELU-OAHLLOKOSA-N 2 0 348.495 1.150 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)c1 ZINC000416980134 304360583 /nfs/dbraw/zinc/36/05/83/304360583.db2.gz YEJADOXPZNXUFS-KRWDZBQOSA-N 2 0 346.475 1.663 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000416978664 304360235 /nfs/dbraw/zinc/36/02/35/304360235.db2.gz WDCSSQHCDYGOJP-MRXNPFEDSA-N 2 0 348.491 1.897 20 0 EDADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[N@H+](C)Cc2cncnc2)n1 ZINC000354911869 150027237 /nfs/dbraw/zinc/02/72/37/150027237.db2.gz ASVGKXAAQZHJCQ-GJZGRUSLSA-N 2 0 345.426 1.381 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC(C)(C)C[NH3+])cc1 ZINC000416983379 304361101 /nfs/dbraw/zinc/36/11/01/304361101.db2.gz FXRGYOIIBDGKRC-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP COCC1(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262442217 292221196 /nfs/dbraw/zinc/22/11/96/292221196.db2.gz YFHOXIWEMMOQCP-OWCLPIDISA-N 2 0 325.497 1.485 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000416983470 304361605 /nfs/dbraw/zinc/36/16/05/304361605.db2.gz GBIHMKCZIHUNIT-KRWDZBQOSA-N 2 0 348.491 1.897 20 0 EDADRP Cn1nc2ccccc2c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355283063 150198994 /nfs/dbraw/zinc/19/89/94/150198994.db2.gz QFSPDURVZOGGCF-UHFFFAOYSA-N 2 0 345.491 1.919 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000355442233 150269161 /nfs/dbraw/zinc/26/91/61/150269161.db2.gz LKUPVQIYGDMBFE-KGLIPLIRSA-N 2 0 334.489 1.756 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000370018533 155282592 /nfs/dbraw/zinc/28/25/92/155282592.db2.gz NMZPSUFYOXVUPC-MSOLQXFVSA-N 2 0 336.524 1.251 20 0 EDADRP Cc1cccn2c(=O)cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)nc12 ZINC000357079107 150915934 /nfs/dbraw/zinc/91/59/34/150915934.db2.gz COMZIQLNYVZHPE-MRXNPFEDSA-N 2 0 326.444 1.824 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357765892 151144042 /nfs/dbraw/zinc/14/40/42/151144042.db2.gz STTCAQBAEDYZLO-CQSZACIVSA-N 2 0 330.542 1.843 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357915131 151194015 /nfs/dbraw/zinc/19/40/15/151194015.db2.gz IPRFVIWCZOVCPT-SJORKVTESA-N 2 0 341.544 1.432 20 0 EDADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357926918 151198814 /nfs/dbraw/zinc/19/88/14/151198814.db2.gz KPIMINGKLWANIO-WSTZPKSXSA-N 2 0 343.471 1.224 20 0 EDADRP CC[N@@H+]1CC[C@@H](NCc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000358082105 151263639 /nfs/dbraw/zinc/26/36/39/151263639.db2.gz IZNRABXDJDBIFM-CZUORRHYSA-N 2 0 325.478 1.878 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000358107719 151273347 /nfs/dbraw/zinc/27/33/47/151273347.db2.gz ZMABRWCWMMYPHB-WBVHZDCISA-N 2 0 338.496 1.389 20 0 EDADRP C[NH+](C)C1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000360123489 151916374 /nfs/dbraw/zinc/91/63/74/151916374.db2.gz HASTWCHQWKYVSN-UHFFFAOYSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCCCC1 ZINC000360413605 152028380 /nfs/dbraw/zinc/02/83/80/152028380.db2.gz MAXHDQARPQEBRI-WBVHZDCISA-N 2 0 342.553 1.845 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCCCC1 ZINC000360413603 152028862 /nfs/dbraw/zinc/02/88/62/152028862.db2.gz MAXHDQARPQEBRI-RDJZCZTQSA-N 2 0 342.553 1.845 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000333137576 292257322 /nfs/dbraw/zinc/25/73/22/292257322.db2.gz COHZGBMGZPSJEY-BZSNNMDCSA-N 2 0 331.460 1.740 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)CC[NH+](C)C)[C@@H](C)C1 ZINC000360793088 152206753 /nfs/dbraw/zinc/20/67/53/152206753.db2.gz CSMZCFKQSWCOTA-BBWFWOEESA-N 2 0 342.528 1.763 20 0 EDADRP CCC[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000360861923 152233580 /nfs/dbraw/zinc/23/35/80/152233580.db2.gz VYZRJWQCHHGQPP-GOSISDBHSA-N 2 0 333.476 1.601 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000361250400 152345482 /nfs/dbraw/zinc/34/54/82/152345482.db2.gz JBNVDWWJKYZORV-TZMCWYRMSA-N 2 0 331.420 1.737 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000574152886 306643539 /nfs/dbraw/zinc/64/35/39/306643539.db2.gz DZLPKHHNBHZRJO-INIZCTEOSA-N 2 0 342.447 1.022 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCCCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000363687674 153029795 /nfs/dbraw/zinc/02/97/95/153029795.db2.gz PAHJGONXHNILAT-INIZCTEOSA-N 2 0 349.475 1.784 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CC[C@]4(CCC[C@@H]4[NH3+])C3)ccn2)CC1 ZINC000364195230 153169107 /nfs/dbraw/zinc/16/91/07/153169107.db2.gz PLUZKTLNGPQSIW-QFBILLFUSA-N 2 0 343.475 1.177 20 0 EDADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)c1 ZINC000364730066 153316745 /nfs/dbraw/zinc/31/67/45/153316745.db2.gz ZRFLHSHFIUGYPW-UONOGXRCSA-N 2 0 345.447 1.501 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000364734809 153319052 /nfs/dbraw/zinc/31/90/52/153319052.db2.gz LGKBTGKAIRVLKG-OAFZBRQQSA-N 2 0 337.508 1.756 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364740302 153320180 /nfs/dbraw/zinc/32/01/80/153320180.db2.gz QUZHXPDFRLNXGG-CVEARBPZSA-N 2 0 331.460 1.984 20 0 EDADRP C[C@H](C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209505 154041846 /nfs/dbraw/zinc/04/18/46/154041846.db2.gz RDRFWIOQCPFAQI-CABCVRRESA-N 2 0 328.522 1.863 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000367975472 154350672 /nfs/dbraw/zinc/35/06/72/154350672.db2.gz ACNDUWFTSOMKDI-ZWKOTPCHSA-N 2 0 337.508 1.628 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)CCCO1 ZINC000368067168 154394639 /nfs/dbraw/zinc/39/46/39/154394639.db2.gz VEPPVDNRPQGISU-FUHWJXTLSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417342044 304392694 /nfs/dbraw/zinc/39/26/94/304392694.db2.gz OLGSVUMVOKNNLA-RVKKMQEKSA-N 2 0 330.476 1.860 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCC[C@@]3(C)[NH3+])C2)CC1 ZINC000574634958 306654475 /nfs/dbraw/zinc/65/44/75/306654475.db2.gz HQGFRDRTCMQKCM-ZHALLVOQSA-N 2 0 336.524 1.521 20 0 EDADRP C[C@@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417348738 304393620 /nfs/dbraw/zinc/39/36/20/304393620.db2.gz ZCFFFAHPEOMOPH-MAUKXSAKSA-N 2 0 330.476 1.956 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000369501802 155061298 /nfs/dbraw/zinc/06/12/98/155061298.db2.gz URKDFTZUHIOYSJ-QZTJIDSGSA-N 2 0 348.491 1.218 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417484679 304399686 /nfs/dbraw/zinc/39/96/86/304399686.db2.gz UZWPKMHYCMEKKF-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000371598336 156024108 /nfs/dbraw/zinc/02/41/08/156024108.db2.gz GMXZWAXBWMCMBJ-MSOLQXFVSA-N 2 0 345.491 1.687 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000369795966 292335147 /nfs/dbraw/zinc/33/51/47/292335147.db2.gz VPYBQJRHQGQOIM-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc4cnccn34)CC2)CC1 ZINC000371869666 156145965 /nfs/dbraw/zinc/14/59/65/156145965.db2.gz JQMYNYACCCROFP-UHFFFAOYSA-N 2 0 342.491 1.579 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000417502707 304400657 /nfs/dbraw/zinc/40/06/57/304400657.db2.gz BTHCAHKISSWUJK-MRXNPFEDSA-N 2 0 334.464 1.173 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)C[C@H](C)O1 ZINC000372420699 156381195 /nfs/dbraw/zinc/38/11/95/156381195.db2.gz NCRZACSKUUKGLF-SOLBZPMBSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000373982846 157093559 /nfs/dbraw/zinc/09/35/59/157093559.db2.gz NMNVVVFYVDZHGV-HZPDHXFCSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2CC(=O)NCc1ccccc1F ZINC000374424349 157286348 /nfs/dbraw/zinc/28/63/48/157286348.db2.gz ZLYIAASQHCOMAP-NXHRZFHOSA-N 2 0 349.450 1.625 20 0 EDADRP C[N@@H+](CC(=O)N1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374778614 157397138 /nfs/dbraw/zinc/39/71/38/157397138.db2.gz JIXOIXGGVNWQLV-UHFFFAOYSA-N 2 0 332.448 1.089 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@@H]1CC12C[NH2+]C2 ZINC000376657352 157811556 /nfs/dbraw/zinc/81/15/56/157811556.db2.gz NCKJJCFWYNNURC-OCCSQVGLSA-N 2 0 329.400 1.143 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377953630 158038003 /nfs/dbraw/zinc/03/80/03/158038003.db2.gz VFBXFPSMTYFZHJ-SFHVURJKSA-N 2 0 342.503 1.295 20 0 EDADRP CCNC(=O)Nc1c[nH]nc1[C@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000378537027 158203733 /nfs/dbraw/zinc/20/37/33/158203733.db2.gz ITOAEWNCSPFGPS-ZDUSSCGKSA-N 2 0 331.424 1.627 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000417926375 304432410 /nfs/dbraw/zinc/43/24/10/304432410.db2.gz DNDOXRMQVWKPTB-JLJPHGGASA-N 2 0 334.439 1.766 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000352207928 162050167 /nfs/dbraw/zinc/05/01/67/162050167.db2.gz GJQOEDOMDKVFGS-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000352221061 162057745 /nfs/dbraw/zinc/05/77/45/162057745.db2.gz GGOZWZXAZGLLCQ-IRXDYDNUSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417768412 287086064 /nfs/dbraw/zinc/08/60/64/287086064.db2.gz FGIWJCQGFFFPFD-MRXNPFEDSA-N 2 0 347.503 1.913 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccco1 ZINC000418170342 304458750 /nfs/dbraw/zinc/45/87/50/304458750.db2.gz SALHVFMIQVEHLW-RRFJBIMHSA-N 2 0 338.452 1.387 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCN(Cc1ccccc1)S(C)(=O)=O ZINC000641800631 452274082 /nfs/dbraw/zinc/27/40/82/452274082.db2.gz CCCDAXZQYYFZSV-HUUCEWRRSA-N 2 0 325.478 1.164 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[NH+](C)[C@@H]2CCSC2)C[C@H](C)O1 ZINC000089935563 287326257 /nfs/dbraw/zinc/32/62/57/287326257.db2.gz XLVXKIPSXUPCLB-QLFBSQMISA-N 2 0 329.510 1.039 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[NH+](C2CCCC2)CC1 ZINC000418323951 304479565 /nfs/dbraw/zinc/47/95/65/304479565.db2.gz GGDYXUOAADHKIB-UHFFFAOYSA-N 2 0 345.491 1.831 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000123176988 287386365 /nfs/dbraw/zinc/38/63/65/287386365.db2.gz CMZYSXKEPAPDJT-PMPSAXMXSA-N 2 0 340.512 1.658 20 0 EDADRP COC1(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000164924633 226104410 /nfs/dbraw/zinc/10/44/10/226104410.db2.gz MZPUZBMNJYITIL-UHFFFAOYSA-N 2 0 345.487 1.708 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418358818 304485610 /nfs/dbraw/zinc/48/56/10/304485610.db2.gz DVQHVTPGFZWJFT-CYBMUJFWSA-N 2 0 326.391 1.400 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000122127039 222020080 /nfs/dbraw/zinc/02/00/80/222020080.db2.gz RPYRCUGCLDUWQH-UHFFFAOYSA-N 2 0 342.487 1.782 20 0 EDADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570629 222114895 /nfs/dbraw/zinc/11/48/95/222114895.db2.gz XGZXDSAJNHGKCB-JKSUJKDBSA-N 2 0 325.522 1.804 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418496773 304503371 /nfs/dbraw/zinc/50/33/71/304503371.db2.gz GHAPPQXHYGOQFS-MSOLQXFVSA-N 2 0 341.459 1.042 20 0 EDADRP COc1cc2c(cc1OC)CN(CCNC(=O)[C@@]1(C)CC[NH2+]C1)CC2 ZINC000237409720 273009937 /nfs/dbraw/zinc/00/99/37/273009937.db2.gz CIPSVJPYNFAGBP-IBGZPJMESA-N 2 0 347.459 1.178 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000274490034 268149348 /nfs/dbraw/zinc/14/93/48/268149348.db2.gz FERHVMNDQILOIN-UHFFFAOYSA-N 2 0 344.503 1.821 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000274726567 268192783 /nfs/dbraw/zinc/19/27/83/268192783.db2.gz CCYNHCIYFCOBLK-QGZVFWFLSA-N 2 0 335.448 1.207 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC2([NH+](C)C)CCC2)ccn1 ZINC000275462055 268346380 /nfs/dbraw/zinc/34/63/80/268346380.db2.gz NMEPQBMCUNWQNC-UHFFFAOYSA-N 2 0 349.479 1.306 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1 ZINC000275543905 268358034 /nfs/dbraw/zinc/35/80/34/268358034.db2.gz SWADTDUQSVZHEZ-GDBMZVCRSA-N 2 0 336.432 1.096 20 0 EDADRP Nc1cc[nH+]cc1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000275698429 268369829 /nfs/dbraw/zinc/36/98/29/268369829.db2.gz SADBLGQYAPHNBY-UHFFFAOYSA-N 2 0 340.427 1.551 20 0 EDADRP CC[NH+]1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000274092172 273068634 /nfs/dbraw/zinc/06/86/34/273068634.db2.gz UGPVGAYWDWIUOJ-UHFFFAOYSA-N 2 0 337.489 1.800 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cc([C@@H]2CC[NH2+]C2)[nH]n1)c1ccccc1 ZINC000278931988 273273303 /nfs/dbraw/zinc/27/33/03/273273303.db2.gz FEXVNKMBLVWUHQ-CQSZACIVSA-N 2 0 327.432 1.695 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188716479 273639300 /nfs/dbraw/zinc/63/93/00/273639300.db2.gz GEIUZOWGZQYHOA-UHFFFAOYSA-N 2 0 341.459 1.827 20 0 EDADRP COCCN1CC[C@@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000283900658 274003564 /nfs/dbraw/zinc/00/35/64/274003564.db2.gz HUQHQZLKBDCVJF-GOSISDBHSA-N 2 0 347.503 1.970 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000284177767 274106715 /nfs/dbraw/zinc/10/67/15/274106715.db2.gz QUYZUQUXZDXHQP-GOSISDBHSA-N 2 0 342.491 1.844 20 0 EDADRP C[C@@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351849 274193234 /nfs/dbraw/zinc/19/32/34/274193234.db2.gz XVPZFCJYPPWOTM-FUHWJXTLSA-N 2 0 342.487 1.334 20 0 EDADRP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371472955 274358950 /nfs/dbraw/zinc/35/89/50/274358950.db2.gz JGKRWKWFRBDADJ-NMLACTOBSA-N 2 0 329.488 1.603 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000285545653 274575680 /nfs/dbraw/zinc/57/56/80/274575680.db2.gz GGHRBWBWTWRHAV-MRXNPFEDSA-N 2 0 341.459 1.238 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000423357612 275666485 /nfs/dbraw/zinc/66/64/85/275666485.db2.gz MJZYVBKHGQEHHG-WMLDXEAASA-N 2 0 348.491 1.214 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365088794 276095945 /nfs/dbraw/zinc/09/59/45/276095945.db2.gz OHQREXSVOQXFOB-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637686 276364365 /nfs/dbraw/zinc/36/43/65/276364365.db2.gz UOOYDPUVZWKGNQ-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccc(F)cc1 ZINC000371107512 277136243 /nfs/dbraw/zinc/13/62/43/277136243.db2.gz FOYGYBLVPYHFLQ-IAGOWNOFSA-N 2 0 334.439 1.964 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)[C@@H]1c1ccccc1 ZINC000333781407 277165556 /nfs/dbraw/zinc/16/55/56/277165556.db2.gz KWPCYUXHRKBDSH-IKGGRYGDSA-N 2 0 332.448 1.191 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000119591691 277393734 /nfs/dbraw/zinc/39/37/34/277393734.db2.gz IQUNXFPYMCBQAU-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249347187 278299567 /nfs/dbraw/zinc/29/95/67/278299567.db2.gz OSLWDLRXZZOHPR-RYQLBKOJSA-N 2 0 333.476 1.641 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCOC1 ZINC000356845946 278343548 /nfs/dbraw/zinc/34/35/48/278343548.db2.gz ISIHNFNJZLGRFX-QZTJIDSGSA-N 2 0 347.507 1.784 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC000496173662 279038005 /nfs/dbraw/zinc/03/80/05/279038005.db2.gz UWDHXSKVZGKZTP-ZNMIVQPWSA-N 2 0 329.485 1.534 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000496920230 279038085 /nfs/dbraw/zinc/03/80/85/279038085.db2.gz BMURTXDMDUICNK-KGLIPLIRSA-N 2 0 329.485 1.677 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475443 279045581 /nfs/dbraw/zinc/04/55/81/279045581.db2.gz WRGBJOFNUSCKMF-BZSNNMDCSA-N 2 0 331.460 1.659 20 0 EDADRP CC[N@H+](CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1CC1 ZINC000342346791 279192154 /nfs/dbraw/zinc/19/21/54/279192154.db2.gz IVHLSQYNQACGRN-INIZCTEOSA-N 2 0 325.522 1.804 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCCC[NH2+]C)CC1 ZINC000417000765 279363495 /nfs/dbraw/zinc/36/34/95/279363495.db2.gz ZHZLYIAZXGFEOE-UHFFFAOYSA-N 2 0 347.507 1.233 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)C[C@H](C)O1 ZINC000342721678 288152207 /nfs/dbraw/zinc/15/22/07/288152207.db2.gz AHUQJMZWEKUYBH-KYHPRHEASA-N 2 0 337.508 1.722 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](C2CC2)[C@H]2CNCCO2)C[C@H](C)O1 ZINC000422913361 288161347 /nfs/dbraw/zinc/16/13/47/288161347.db2.gz PUKCLVDUFFBQIS-CYGHRXIMSA-N 2 0 325.497 1.232 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+]1CCC(C)CC1 ZINC000333910232 280243664 /nfs/dbraw/zinc/24/36/64/280243664.db2.gz DWFHKIZFTLSGMM-INIZCTEOSA-N 2 0 338.496 1.127 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000359658843 280322308 /nfs/dbraw/zinc/32/23/08/280322308.db2.gz RQZJSBOUAUOYSV-NJAFHUGGSA-N 2 0 337.508 1.865 20 0 EDADRP CCN1CCN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)[C@@H](C)C1 ZINC000287977683 288372113 /nfs/dbraw/zinc/37/21/13/288372113.db2.gz VKIBDZRLYCZGDY-AWEZNQCLSA-N 2 0 341.415 1.363 20 0 EDADRP CC1CC[NH+](CC(=O)NCc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290677211 288935205 /nfs/dbraw/zinc/93/52/05/288935205.db2.gz QBCXTUSKZLBXLO-UHFFFAOYSA-N 2 0 348.491 1.760 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)CCO1 ZINC000342594806 289197809 /nfs/dbraw/zinc/19/78/09/289197809.db2.gz WRKXCBSZEXNZGA-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262774924 289269258 /nfs/dbraw/zinc/26/92/58/289269258.db2.gz KRBZEJMGDQVJQB-QILLFSRXSA-N 2 0 346.475 1.169 20 0 EDADRP COc1ccccc1N1CC[C@@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000292175482 289281787 /nfs/dbraw/zinc/28/17/87/289281787.db2.gz PYYRTBKWURQDNC-APWZRJJASA-N 2 0 329.444 1.828 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000292185602 289283263 /nfs/dbraw/zinc/28/32/63/289283263.db2.gz QXFCDRQQPKBJFN-MJGOQNOKSA-N 2 0 334.460 1.600 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc(F)c1 ZINC000188693147 289287055 /nfs/dbraw/zinc/28/70/55/289287055.db2.gz OOXQLWBBWHDVIP-HNNXBMFYSA-N 2 0 331.395 1.227 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCn2cncc2C1 ZINC000292214922 289291098 /nfs/dbraw/zinc/29/10/98/289291098.db2.gz CYNUPRAWWZWMHZ-UHFFFAOYSA-N 2 0 340.431 1.468 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000343533614 289323751 /nfs/dbraw/zinc/32/37/51/289323751.db2.gz CRMYYPSQTDDMOT-LLLOQXOTSA-N 2 0 348.491 1.681 20 0 EDADRP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360748588 289341480 /nfs/dbraw/zinc/34/14/80/289341480.db2.gz XBJQJAFMEFPMBA-GOEBONIOSA-N 2 0 326.510 1.302 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748772 289399966 /nfs/dbraw/zinc/39/99/66/289399966.db2.gz XRUSBEQIRBFURI-RDJZCZTQSA-N 2 0 340.537 1.694 20 0 EDADRP [NH3+]C[C@@H](C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1 ZINC000343435855 295241982 /nfs/dbraw/zinc/24/19/82/295241982.db2.gz KYFSCAIVIVLATP-NWDGAFQWSA-N 2 0 334.420 1.779 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000163569705 295383996 /nfs/dbraw/zinc/38/39/96/295383996.db2.gz KCVJAGBLVIADNM-VQIMIIECSA-N 2 0 331.460 1.948 20 0 EDADRP CSC1(C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000353625194 295582691 /nfs/dbraw/zinc/58/26/91/295582691.db2.gz RTBUUACHJIFCMD-ZIAGYGMSSA-N 2 0 334.551 1.759 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360749447 297090813 /nfs/dbraw/zinc/09/08/13/297090813.db2.gz ZIIXMIZFJIHDOQ-VYDXJSESSA-N 2 0 340.537 1.692 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+][C@H]2C)C1 ZINC000418554190 304512611 /nfs/dbraw/zinc/51/26/11/304512611.db2.gz IFZSNPNWZJNDPZ-XHSDSOJGSA-N 2 0 326.485 1.269 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000418571738 304514196 /nfs/dbraw/zinc/51/41/96/304514196.db2.gz ZGGPOFJEESGKMW-IRXDYDNUSA-N 2 0 346.475 1.582 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419431273 304612820 /nfs/dbraw/zinc/61/28/20/304612820.db2.gz XEBFKTOGVVURTP-BZUAXINKSA-N 2 0 340.512 1.104 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)[NH+]1CCC(C)CC1 ZINC000373434667 298765375 /nfs/dbraw/zinc/76/53/75/298765375.db2.gz IIIGWVUCEBGYSV-PASDCYSWSA-N 2 0 337.508 1.756 20 0 EDADRP C[C@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000188545529 300143873 /nfs/dbraw/zinc/14/38/73/300143873.db2.gz JMGPNADEVSCOLU-HNNXBMFYSA-N 2 0 340.512 1.347 20 0 EDADRP CCCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000419661833 304654153 /nfs/dbraw/zinc/65/41/53/304654153.db2.gz GHFNUFALDURQPR-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357085957 304660834 /nfs/dbraw/zinc/66/08/34/304660834.db2.gz QVWBLJYLCCWQSR-HNNXBMFYSA-N 2 0 334.464 1.173 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419645648 447316564 /nfs/dbraw/zinc/31/65/64/447316564.db2.gz PMTPJDGOKRUORH-QGZVFWFLSA-N 2 0 348.491 1.196 20 0 EDADRP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000293411215 302960221 /nfs/dbraw/zinc/96/02/21/302960221.db2.gz IDICFMLFCMYAAW-LJQANCHMSA-N 2 0 336.451 1.773 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C2CC3CC(C2)CC1C3 ZINC000333131992 303358011 /nfs/dbraw/zinc/35/80/11/303358011.db2.gz BCOIPLNHFJAJDQ-KAPMFFAGSA-N 2 0 346.519 1.925 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc2c[nH+]cn2c1 ZINC000297399877 303394993 /nfs/dbraw/zinc/39/49/93/303394993.db2.gz XNVKIYUVEFCAME-UHFFFAOYSA-N 2 0 342.443 1.986 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H](C)[C@H]1C[NH3+])C(C)C ZINC000419665478 447331593 /nfs/dbraw/zinc/33/15/93/447331593.db2.gz OPBCCVQVBOGKLR-JKSUJKDBSA-N 2 0 340.512 1.197 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC3([NH3+])CCC3)CC2)cc1 ZINC000414872327 447337082 /nfs/dbraw/zinc/33/70/82/447337082.db2.gz FSPHIJUCJPTFRQ-UHFFFAOYSA-N 2 0 337.489 1.619 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[NH+]3CCC2CC3)ccc1C[NH+](C)C ZINC000411453280 303896183 /nfs/dbraw/zinc/89/61/83/303896183.db2.gz HKTYFYOXHKTDPK-UHFFFAOYSA-N 2 0 344.459 1.302 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+](CC)C1CC1 ZINC000414890263 447344615 /nfs/dbraw/zinc/34/46/15/447344615.db2.gz ZIVPCMVECCVPFD-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422613529 304874147 /nfs/dbraw/zinc/87/41/47/304874147.db2.gz WWSJOEPACAOLFO-HOTGVXAUSA-N 2 0 334.464 1.567 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+]C2CCC(C[NH3+])CC2)c(C)s1 ZINC000422999879 304882768 /nfs/dbraw/zinc/88/27/68/304882768.db2.gz TXPJLHCWOCRXNU-UHFFFAOYSA-N 2 0 345.534 1.750 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccn(CC)c2=O)CC[NH2+]CC1 ZINC000423083825 304884888 /nfs/dbraw/zinc/88/48/88/304884888.db2.gz HCXFQCWJZCIULO-AWEZNQCLSA-N 2 0 335.448 1.279 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117765 304887442 /nfs/dbraw/zinc/88/74/42/304887442.db2.gz WZUPAYSSZWWBPG-ZWNOBZJWSA-N 2 0 349.859 1.474 20 0 EDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423227299 304889876 /nfs/dbraw/zinc/88/98/76/304889876.db2.gz VFERKRIXOVVIAU-UONOGXRCSA-N 2 0 341.477 1.095 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423415955 304894906 /nfs/dbraw/zinc/89/49/06/304894906.db2.gz PRGHJRFWEAETHQ-JKSUJKDBSA-N 2 0 340.512 1.153 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428699907 305015026 /nfs/dbraw/zinc/01/50/26/305015026.db2.gz JNADCMJHQASGIY-IBGZPJMESA-N 2 0 333.476 1.424 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000430539000 305055863 /nfs/dbraw/zinc/05/58/63/305055863.db2.gz DAEVZCWUEDCIQP-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000430569041 305056235 /nfs/dbraw/zinc/05/62/35/305056235.db2.gz DOYWIESDDWSRMR-GOEBONIOSA-N 2 0 338.496 1.712 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)CC(C)(C)C[NH3+] ZINC000430603379 305058249 /nfs/dbraw/zinc/05/82/49/305058249.db2.gz YNNYHRCYFGJFFW-UHFFFAOYSA-N 2 0 340.855 1.684 20 0 EDADRP C[N@H+](CCCOc1cccc(Cl)c1)CC(=O)N1CC[NH2+]CC1 ZINC000430635198 305060503 /nfs/dbraw/zinc/06/05/03/305060503.db2.gz GBTZTQHTYODZBG-UHFFFAOYSA-N 2 0 325.840 1.473 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000430704564 305062873 /nfs/dbraw/zinc/06/28/73/305062873.db2.gz NQHIMGVZCDWOJP-LJQANCHMSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CC[NH2+]C1 ZINC000430704563 305062878 /nfs/dbraw/zinc/06/28/78/305062878.db2.gz NQHIMGVZCDWOJP-IBGZPJMESA-N 2 0 344.459 1.322 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[NH2+]C1 ZINC000430767814 305064522 /nfs/dbraw/zinc/06/45/22/305064522.db2.gz WZJFFINQKUPHDZ-GDBMZVCRSA-N 2 0 325.478 1.483 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COC1C[NH2+]C1)c1ccccc1Cl ZINC000430849597 305066024 /nfs/dbraw/zinc/06/60/24/305066024.db2.gz RYBMZMKPMBFNLK-MRXNPFEDSA-N 2 0 339.867 1.828 20 0 EDADRP Cc1c(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878667 305066630 /nfs/dbraw/zinc/06/66/30/305066630.db2.gz KAYXGRGJKUEPNN-KBPBESRZSA-N 2 0 348.495 1.504 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)COC1C[NH2+]C1 ZINC000430899342 305067397 /nfs/dbraw/zinc/06/73/97/305067397.db2.gz HTMQWKKKIWCSML-UHFFFAOYSA-N 2 0 335.473 1.471 20 0 EDADRP C[NH2+]CC1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430933362 305068951 /nfs/dbraw/zinc/06/89/51/305068951.db2.gz IBSFPMSTRAWPKV-UHFFFAOYSA-N 2 0 340.489 1.790 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCOc2ccc(Cl)cc2)CC1 ZINC000430951962 305070334 /nfs/dbraw/zinc/07/03/34/305070334.db2.gz OBDAZYTYWCBNNL-CYBMUJFWSA-N 2 0 339.867 1.894 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431033526 305073249 /nfs/dbraw/zinc/07/32/49/305073249.db2.gz ILCMYWGSWRIPQY-UHFFFAOYSA-N 2 0 344.459 1.402 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCCC2)CCCO1 ZINC000431205108 305076579 /nfs/dbraw/zinc/07/65/79/305076579.db2.gz XDIYXWPLCODDQK-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP COC(=O)[C@@H]1CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000431594244 305080308 /nfs/dbraw/zinc/08/03/08/305080308.db2.gz FFCSQWUTOHOBOD-OAGGEKHMSA-N 2 0 340.464 1.535 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000431851509 305083828 /nfs/dbraw/zinc/08/38/28/305083828.db2.gz PHJHSLXZESOTFO-RYRKJORJSA-N 2 0 333.476 1.593 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000433159510 305102065 /nfs/dbraw/zinc/10/20/65/305102065.db2.gz MEJMRCPIPMUWDY-GOSISDBHSA-N 3 0 338.540 1.816 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc3c(c2)NC(=O)CS3)CC1 ZINC000433162293 305102122 /nfs/dbraw/zinc/10/21/22/305102122.db2.gz UFXLONISSYQMPD-UHFFFAOYSA-N 2 0 348.472 1.873 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000433188322 305102436 /nfs/dbraw/zinc/10/24/36/305102436.db2.gz QGALBOHCOCQEGX-GOSISDBHSA-N 2 0 344.503 1.977 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433287023 305104945 /nfs/dbraw/zinc/10/49/45/305104945.db2.gz WDFZBKZHYGVQOP-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000433327860 305105857 /nfs/dbraw/zinc/10/58/57/305105857.db2.gz BFEDYXRYPKOIES-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433381855 305107074 /nfs/dbraw/zinc/10/70/74/305107074.db2.gz LSYZEAFQSYMFMU-OAHLLOKOSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433385578 305107345 /nfs/dbraw/zinc/10/73/45/305107345.db2.gz YSKOEDCZGMVHQR-CABCVRRESA-N 2 0 348.495 1.443 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870543 305114286 /nfs/dbraw/zinc/11/42/86/305114286.db2.gz RCEZBTCEOOECQZ-WMLDXEAASA-N 2 0 339.505 1.755 20 0 EDADRP O=C([C@H]1CCC[NH2+]C1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435562065 305142515 /nfs/dbraw/zinc/14/25/15/305142515.db2.gz BFHKOPIYYGONLH-KBPBESRZSA-N 2 0 334.489 1.613 20 0 EDADRP CC[NH+](CC)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435566588 305142566 /nfs/dbraw/zinc/14/25/66/305142566.db2.gz OAQGMUOHCGTSEJ-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436236237 305154710 /nfs/dbraw/zinc/15/47/10/305154710.db2.gz FCQCRDXLUAVLBW-ZDUSSCGKSA-N 2 0 347.488 1.815 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000436481908 305158553 /nfs/dbraw/zinc/15/85/53/305158553.db2.gz FSGYVYYYLUCHRA-RBUKOAKNSA-N 2 0 346.519 1.678 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC[C@@H]3CCOC3)c2)C1 ZINC000438193816 305182815 /nfs/dbraw/zinc/18/28/15/305182815.db2.gz XPEGJAVCXDFFEY-APWZRJJASA-N 2 0 345.487 1.900 20 0 EDADRP C[C@H](Cc1ccccc1F)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000438201375 305182969 /nfs/dbraw/zinc/18/29/69/305182969.db2.gz PQZODCKCVYUCJE-QGZVFWFLSA-N 2 0 337.483 1.736 20 0 EDADRP CC[N@H+](CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1)C(C)C ZINC000441014289 305216611 /nfs/dbraw/zinc/21/66/11/305216611.db2.gz IYLRTXGNHLLPGU-UHFFFAOYSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067444 305234371 /nfs/dbraw/zinc/23/43/71/305234371.db2.gz GQRQCBYRZOSFSW-QWHCGFSZSA-N 2 0 336.411 1.923 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000446273757 305262286 /nfs/dbraw/zinc/26/22/86/305262286.db2.gz CKVCVCNDJWXGQG-DINLJIAVSA-N 2 0 337.508 1.898 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449087502 305306195 /nfs/dbraw/zinc/30/61/95/305306195.db2.gz WBACBAYCCVWZMZ-GTPINHCMSA-N 2 0 325.497 1.901 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000449312503 305310981 /nfs/dbraw/zinc/31/09/81/305310981.db2.gz RDNVHOOKIVYPOB-ZTFGCOKTSA-N 2 0 331.460 1.804 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000449711722 305317781 /nfs/dbraw/zinc/31/77/81/305317781.db2.gz PBDLZDAONDULFI-ZWKOTPCHSA-N 2 0 331.460 1.393 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000451620349 305356715 /nfs/dbraw/zinc/35/67/15/305356715.db2.gz NTACFMNDYVGMPM-MSOLQXFVSA-N 2 0 349.519 1.868 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000451981273 305376091 /nfs/dbraw/zinc/37/60/91/305376091.db2.gz ITZSNQFCZIYRII-IBGZPJMESA-N 2 0 333.520 1.986 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000452361298 305392617 /nfs/dbraw/zinc/39/26/17/305392617.db2.gz JWZLIRXUOJEQKX-QZTJIDSGSA-N 2 0 337.508 1.747 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1OC ZINC000414914323 447354657 /nfs/dbraw/zinc/35/46/57/447354657.db2.gz KMQZLDIIZHKZAI-HNNXBMFYSA-N 2 0 335.448 1.442 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000518164247 305759316 /nfs/dbraw/zinc/75/93/16/305759316.db2.gz DKHLUZPZUBJGLI-GOEBONIOSA-N 2 0 328.464 1.902 20 0 EDADRP [NH3+]CC1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CCCC1 ZINC000521425574 305789487 /nfs/dbraw/zinc/78/94/87/305789487.db2.gz JLKFOWYLWMAHJJ-UHFFFAOYSA-N 2 0 346.475 1.428 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000521583081 305790723 /nfs/dbraw/zinc/79/07/23/305790723.db2.gz BBCKHKMCSCZZNZ-HUUCEWRRSA-N 2 0 332.448 1.830 20 0 EDADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)[nH]c2c1C(=O)CCC2 ZINC000530641355 305944400 /nfs/dbraw/zinc/94/44/00/305944400.db2.gz ILXVBTWIXMXJRW-UHFFFAOYSA-N 2 0 334.464 1.408 20 0 EDADRP CC(C)[C@H]1OCCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530995122 305950913 /nfs/dbraw/zinc/95/09/13/305950913.db2.gz ORQKSHACUXANPG-DLBZAZTESA-N 2 0 342.528 1.572 20 0 EDADRP C[C@@H]1C[N@H+](CCOC[C@H]2CCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013494 306010565 /nfs/dbraw/zinc/01/05/65/306010565.db2.gz WXVXURWHYQLLFH-KURKYZTESA-N 2 0 325.497 1.140 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1coc(C2CCOCC2)n1 ZINC000548942950 306142566 /nfs/dbraw/zinc/14/25/66/306142566.db2.gz GEFVQBXFGGMLJZ-UHFFFAOYSA-N 2 0 338.452 1.134 20 0 EDADRP O=C1c2ccccc2C(=O)N1C[C@@H](O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000552437728 306179446 /nfs/dbraw/zinc/17/94/46/306179446.db2.gz RQRGJNAIJGHGFZ-HNNXBMFYSA-N 2 0 345.443 1.109 20 0 EDADRP C[C@@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000553157948 306183221 /nfs/dbraw/zinc/18/32/21/306183221.db2.gz GENUNDUHLMESOT-KRWDZBQOSA-N 2 0 346.519 1.404 20 0 EDADRP Cc1cc(=O)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1C1CC1 ZINC000554516163 306194163 /nfs/dbraw/zinc/19/41/63/306194163.db2.gz PAFOZVZAHMDVQV-UHFFFAOYSA-N 2 0 334.464 1.057 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@H]2CC[NH2+]C2)CC1 ZINC000556947491 306221711 /nfs/dbraw/zinc/22/17/11/306221711.db2.gz SAZVLGIMHJTERV-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)C[C@@H]1CC[NH+](C)C1)CCC(F)(F)F ZINC000426009839 447378632 /nfs/dbraw/zinc/37/86/32/447378632.db2.gz HVSYKOHPQFXSFI-CYBMUJFWSA-N 2 0 338.418 1.854 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)o1 ZINC000414986272 447385226 /nfs/dbraw/zinc/38/52/26/447385226.db2.gz ILKVYBWZKWXAKV-PBHICJAKSA-N 2 0 349.431 1.193 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN[C@@H](CC[NH3+])C(F)F)CC1 ZINC000414987762 447387005 /nfs/dbraw/zinc/38/70/05/447387005.db2.gz JYMBOLGCJWNWFR-HNNXBMFYSA-N 2 0 326.435 1.901 20 0 EDADRP Cc1nccn1CCN1C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C1 ZINC000661188303 453751540 /nfs/dbraw/zinc/75/15/40/453751540.db2.gz YRJDWLPLUIYRGN-QWRGUYRKSA-N 2 0 325.356 1.099 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000378207483 447407374 /nfs/dbraw/zinc/40/73/74/447407374.db2.gz RURUNPBKTKYUNW-KURKYZTESA-N 2 0 330.476 1.219 20 0 EDADRP CC[C@H](C(=O)NCC[NH+]1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000456580553 447416390 /nfs/dbraw/zinc/41/63/90/447416390.db2.gz IWKGGZCGTXRUNY-GOSISDBHSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC(C)(C)C[NH+](C)C)ccn1 ZINC000458632108 447432490 /nfs/dbraw/zinc/43/24/90/447432490.db2.gz ZXHUOTVIGKKPJH-UHFFFAOYSA-N 2 0 337.468 1.161 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045121644 440952713 /nfs/dbraw/zinc/95/27/13/440952713.db2.gz XAYMRUQMXNFPCG-UHFFFAOYSA-N 2 0 330.476 1.830 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCCC[NH+]1CCN(C)CC1)C(C)C ZINC000103854396 441186359 /nfs/dbraw/zinc/18/63/59/441186359.db2.gz FKACZRZVWUCUQM-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1)C(C)C ZINC000105226927 441244207 /nfs/dbraw/zinc/24/42/07/441244207.db2.gz FIULFPJBKJBKME-UHFFFAOYSA-N 2 0 341.544 1.384 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073728516 441347215 /nfs/dbraw/zinc/34/72/15/441347215.db2.gz LJHFDJDSJMLDHL-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CN(C(=O)C1CC[NH+](Cc2cccnc2)CC1)[C@H]1CCC[N@H+](C)C1 ZINC000073988152 441377754 /nfs/dbraw/zinc/37/77/54/441377754.db2.gz DDNMPZNXLQGKQB-SFHVURJKSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000458655486 447440129 /nfs/dbraw/zinc/44/01/29/447440129.db2.gz PFOMEUVQIWOXPO-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000090914263 441645389 /nfs/dbraw/zinc/64/53/89/441645389.db2.gz XWKXQSXEIBCOOO-JVJLKXRTSA-N 2 0 331.504 1.940 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCCC[C@H]([NH+]2CCN(C)CC2)C1 ZINC000091842960 441746864 /nfs/dbraw/zinc/74/68/64/441746864.db2.gz BZQGLWLIDRKYIH-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458658936 447442000 /nfs/dbraw/zinc/44/20/00/447442000.db2.gz ONGVXVILRXWGAY-DLBZAZTESA-N 2 0 340.512 1.397 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000115810216 441780308 /nfs/dbraw/zinc/78/03/08/441780308.db2.gz UGSRCLUPHMNLCF-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000121865875 441798662 /nfs/dbraw/zinc/79/86/62/441798662.db2.gz NJSHZRLEJJPSFV-QGZVFWFLSA-N 2 0 328.501 1.110 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000121892474 441806095 /nfs/dbraw/zinc/80/60/95/441806095.db2.gz IWSDRVSNYVVHOS-NUJGCVRESA-N 2 0 342.528 1.356 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077574214 441808522 /nfs/dbraw/zinc/80/85/22/441808522.db2.gz WMLONWDCRYNWCI-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077662710 441824937 /nfs/dbraw/zinc/82/49/37/441824937.db2.gz YLMLNMAKACPASO-OAHLLOKOSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)CC[NH+]3CCCC3)cc2)CC1 ZINC000118785746 441904198 /nfs/dbraw/zinc/90/41/98/441904198.db2.gz LJOAPVIWIJXRMU-UHFFFAOYSA-N 2 0 344.503 1.996 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000151082413 442002657 /nfs/dbraw/zinc/00/26/57/442002657.db2.gz YAYCLQYAGRQVTR-UHFFFAOYSA-N 2 0 333.432 1.876 20 0 EDADRP Cc1cccc(C)c1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000125311889 442008003 /nfs/dbraw/zinc/00/80/03/442008003.db2.gz LGBYSJBVEVBHGL-UHFFFAOYSA-N 2 0 334.508 1.981 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000151108879 442007954 /nfs/dbraw/zinc/00/79/54/442007954.db2.gz AYJWJHJVHMJZKH-OAHLLOKOSA-N 2 0 336.480 1.515 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000125818121 442051845 /nfs/dbraw/zinc/05/18/45/442051845.db2.gz WKGOAIRWNIXVBT-SFHVURJKSA-N 2 0 330.476 1.063 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@@H+]1C ZINC000126134773 442082606 /nfs/dbraw/zinc/08/26/06/442082606.db2.gz HIHZBTSMIPZOTH-MAUKXSAKSA-N 2 0 345.487 1.959 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCO1 ZINC000162315990 442082989 /nfs/dbraw/zinc/08/29/89/442082989.db2.gz BJZJGEOQZYILHC-OKZBNKHCSA-N 2 0 333.476 1.953 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175865494 442137227 /nfs/dbraw/zinc/13/72/27/442137227.db2.gz IMDUZXVVKHTMOW-IRXDYDNUSA-N 2 0 340.512 1.326 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000176081710 442172444 /nfs/dbraw/zinc/17/24/44/442172444.db2.gz IFFNHOPMPSVCAC-INIZCTEOSA-N 2 0 346.475 1.405 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176191541 442187879 /nfs/dbraw/zinc/18/78/79/442187879.db2.gz PUDODBGPVLEPQC-IRXDYDNUSA-N 2 0 338.496 1.225 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000170698888 442250357 /nfs/dbraw/zinc/25/03/57/442250357.db2.gz YYRMGNGTZQTFCP-UHFFFAOYSA-N 2 0 345.491 1.916 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)C[C@@H](C)O1 ZINC000166429828 442216168 /nfs/dbraw/zinc/21/61/68/442216168.db2.gz NCHAYNRLTPYWFD-IIAWOOMASA-N 2 0 325.497 1.708 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000167417497 442220869 /nfs/dbraw/zinc/22/08/69/442220869.db2.gz LJDICQFNYVBIOU-KBXCAEBGSA-N 2 0 333.476 1.633 20 0 EDADRP COc1ccc([C@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155101 442248920 /nfs/dbraw/zinc/24/89/20/442248920.db2.gz RNFPJXOOVRIJRO-GJZGRUSLSA-N 2 0 349.475 1.942 20 0 EDADRP Cn1cncc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000177131615 442302343 /nfs/dbraw/zinc/30/23/43/442302343.db2.gz UMOHUHMWYXVMBN-UHFFFAOYSA-N 2 0 335.496 1.336 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000129623614 442325662 /nfs/dbraw/zinc/32/56/62/442325662.db2.gz TYFJHYTWDGAMHH-ULQDDVLXSA-N 2 0 338.540 1.638 20 0 EDADRP CN1CCN(c2ncc(C[N@H+](C[C@@H]3CCOC3)C3CC3)cn2)CC1 ZINC000130000839 442337380 /nfs/dbraw/zinc/33/73/80/442337380.db2.gz QZWCEJDXIXIDJA-HNNXBMFYSA-N 2 0 331.464 1.229 20 0 EDADRP COC(=O)Nc1ccccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000177152812 442306053 /nfs/dbraw/zinc/30/60/53/442306053.db2.gz VCLCMWMYNBCITP-UHFFFAOYSA-N 2 0 348.447 1.621 20 0 EDADRP CC(C)NC(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000129241448 442307922 /nfs/dbraw/zinc/30/79/22/442307922.db2.gz MHVRRODPTGZDAI-UHFFFAOYSA-N 2 0 348.491 1.390 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155016128 442371237 /nfs/dbraw/zinc/37/12/37/442371237.db2.gz HMALNZFTQXDEMM-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000177847644 442390730 /nfs/dbraw/zinc/39/07/30/442390730.db2.gz KYAVHVMQGIZLOJ-IXDOHACOSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000177870209 442392404 /nfs/dbraw/zinc/39/24/04/442392404.db2.gz QZGMHSYULGZYRS-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000155753478 442424874 /nfs/dbraw/zinc/42/48/74/442424874.db2.gz HOGPBPKJKZWOLW-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H]1CC ZINC000178777222 442481739 /nfs/dbraw/zinc/48/17/39/442481739.db2.gz MIZLBHPXMPISIA-MSOLQXFVSA-N 2 0 333.476 1.688 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000192530357 442658290 /nfs/dbraw/zinc/65/82/90/442658290.db2.gz QPKJTPHHCGVCKL-KXBFYZLASA-N 2 0 333.476 1.412 20 0 EDADRP C[NH+](C)CCNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000180665324 442645602 /nfs/dbraw/zinc/64/56/02/442645602.db2.gz JDIOZOLMIMTITE-UHFFFAOYSA-N 2 0 336.505 1.961 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C2CCC(C(=O)OC)CC2)CC1 ZINC000192439161 442646460 /nfs/dbraw/zinc/64/64/60/442646460.db2.gz LNGMJMBDBUVVSE-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000187139717 442655327 /nfs/dbraw/zinc/65/53/27/442655327.db2.gz RGALCOJMPAIHOF-HNNXBMFYSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC000180751832 442655967 /nfs/dbraw/zinc/65/59/67/442655967.db2.gz DESKYHLOAHLRDT-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000173186067 442619975 /nfs/dbraw/zinc/61/99/75/442619975.db2.gz RMKZIHDJVPZTFG-KRWDZBQOSA-N 2 0 344.503 1.900 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000192824197 442690451 /nfs/dbraw/zinc/69/04/51/442690451.db2.gz AKMCEPHUXXBPDU-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[NH2+][C@@H]3C)CC2)c1 ZINC000193548097 442752606 /nfs/dbraw/zinc/75/26/06/442752606.db2.gz GABDTIWERJCHAB-IEBWSBKVSA-N 2 0 344.503 1.764 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000246278037 442768826 /nfs/dbraw/zinc/76/88/26/442768826.db2.gz JSXVESRCSGCARB-CVEARBPZSA-N 2 0 342.528 1.619 20 0 EDADRP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@H+](C)Cc1ccccc1 ZINC000188770028 442809236 /nfs/dbraw/zinc/80/92/36/442809236.db2.gz TZCXKFVHOUUXGU-ZDUSSCGKSA-N 2 0 327.432 1.306 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000268036497 442825233 /nfs/dbraw/zinc/82/52/33/442825233.db2.gz WRONEBABZPALKR-FUHWJXTLSA-N 2 0 335.492 1.980 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C1 ZINC000268041884 442826830 /nfs/dbraw/zinc/82/68/30/442826830.db2.gz QKQCYSNJGGLQSJ-HNNXBMFYSA-N 2 0 338.452 1.074 20 0 EDADRP C[C@H](C(=O)N1CCCC1)N1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000268047488 442828497 /nfs/dbraw/zinc/82/84/97/442828497.db2.gz QSNHXOYXZPCXON-CYBMUJFWSA-N 2 0 328.420 1.091 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000247203095 442840883 /nfs/dbraw/zinc/84/08/83/442840883.db2.gz XJBDFZRXCIADKF-YESZJQIVSA-N 2 0 340.512 1.515 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1ccc(N)cc1 ZINC000194125341 442848931 /nfs/dbraw/zinc/84/89/31/442848931.db2.gz BSSXGLSQLRSMTF-UHFFFAOYSA-N 2 0 342.509 1.163 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188959717 442849491 /nfs/dbraw/zinc/84/94/91/442849491.db2.gz CSDGOLHAPDLUOV-UHFFFAOYSA-N 2 0 345.422 1.399 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000268220845 442906026 /nfs/dbraw/zinc/90/60/26/442906026.db2.gz OPCMLOQAGVWUAB-RHSMWYFYSA-N 2 0 336.455 1.849 20 0 EDADRP CN(C(=O)c1cnn(C2CC2)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000625503207 450397982 /nfs/dbraw/zinc/39/79/82/450397982.db2.gz JBHDOOQANRYMMZ-KRWDZBQOSA-N 2 0 331.464 1.459 20 0 EDADRP COC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@@H](C)O1 ZINC000251888269 443020275 /nfs/dbraw/zinc/02/02/75/443020275.db2.gz QCOFOXJYXGNCKA-MHORFTMASA-N 2 0 344.496 1.238 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000249731323 443002241 /nfs/dbraw/zinc/00/22/41/443002241.db2.gz AHMPRSBBNLGPOR-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088019 450398590 /nfs/dbraw/zinc/39/85/90/450398590.db2.gz SNXYHSBZYSLGAA-QUCCMNQESA-N 2 0 332.536 1.980 20 0 EDADRP C[C@]([NH2+]CC1CC[NH2+]CC1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000297338762 318761054 /nfs/dbraw/zinc/76/10/54/318761054.db2.gz JMQNVLLGTRBOIS-OAHLLOKOSA-N 2 0 329.366 1.995 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000236708787 443145398 /nfs/dbraw/zinc/14/53/98/443145398.db2.gz LBUIGHQJOOVDDE-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266446173 443129470 /nfs/dbraw/zinc/12/94/70/443129470.db2.gz ARFYYLDZQJPTCO-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237213088 443164284 /nfs/dbraw/zinc/16/42/84/443164284.db2.gz AOQPTMDTENENAE-GOSISDBHSA-N 2 0 330.476 1.387 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000261694241 443164668 /nfs/dbraw/zinc/16/46/68/443164668.db2.gz NZQAOFUEYLJIMF-INIZCTEOSA-N 2 0 346.475 1.215 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC[C@H]1CCC[NH2+]1)c1ccc(Br)cc1 ZINC000261757880 443168316 /nfs/dbraw/zinc/16/83/16/443168316.db2.gz JNFGYNFSLPLERK-UKRRQHHQSA-N 2 0 340.265 1.881 20 0 EDADRP C[C@@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000262057543 443182220 /nfs/dbraw/zinc/18/22/20/443182220.db2.gz IVBUVHZKQNAQAP-RHSMWYFYSA-N 2 0 335.423 1.409 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000236997170 443155849 /nfs/dbraw/zinc/15/58/49/443155849.db2.gz DLATVZUGJGMIIC-FUHWJXTLSA-N 2 0 330.476 1.686 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000185194630 443158594 /nfs/dbraw/zinc/15/85/94/443158594.db2.gz DIEPHFLNDVIVRL-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237163035 443162473 /nfs/dbraw/zinc/16/24/73/443162473.db2.gz KQLNRJKWNUSCEF-IBGZPJMESA-N 2 0 344.503 1.263 20 0 EDADRP COc1cc(CNC(=O)C[NH2+]CC2CC2)ccc1OCC[NH+](C)C ZINC000269229008 443241833 /nfs/dbraw/zinc/24/18/33/443241833.db2.gz BJROMXLPNBBLER-UHFFFAOYSA-N 2 0 335.448 1.251 20 0 EDADRP CC(C)[C@@H](C(=O)NCC[C@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000262576954 443200805 /nfs/dbraw/zinc/20/08/05/443200805.db2.gz KXFBTIOJLBNPFK-VQHPVUNQSA-N 2 0 325.497 1.626 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000262670126 443207372 /nfs/dbraw/zinc/20/73/72/443207372.db2.gz RFKYCUDTZFHGMO-LJQANCHMSA-N 2 0 344.503 1.670 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000360054236 319116541 /nfs/dbraw/zinc/11/65/41/319116541.db2.gz BDWCLHOFMJZCAE-NXHRZFHOSA-N 2 0 337.508 1.772 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000387536484 319131967 /nfs/dbraw/zinc/13/19/67/319131967.db2.gz LGKPXLYUSLPQSR-HOTGVXAUSA-N 2 0 326.529 1.399 20 0 EDADRP C[C@@H]1C[C@H](C)[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000397465522 319134880 /nfs/dbraw/zinc/13/48/80/319134880.db2.gz STHBOBBNKRWUCF-ILXRZTDVSA-N 2 0 329.444 1.978 20 0 EDADRP COC(=O)C[C@@H]1CCC[NH+]1CCC[N@H+]1CCC[C@H]1CC(=O)OC ZINC000245748834 443248557 /nfs/dbraw/zinc/24/85/57/443248557.db2.gz GGXDSVIJLNRCRF-GJZGRUSLSA-N 2 0 326.437 1.432 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2CCCNC2=O)CC1 ZINC000411461040 319183489 /nfs/dbraw/zinc/18/34/89/319183489.db2.gz VJORKPUNYLNWOY-RHSMWYFYSA-N 2 0 348.466 1.897 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C)ccc1C[NH+](C)C ZINC000411554533 319183846 /nfs/dbraw/zinc/18/38/46/319183846.db2.gz TZHNORCEMFOTPI-CYBMUJFWSA-N 2 0 334.464 1.309 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1ccccc1 ZINC000414672928 319339304 /nfs/dbraw/zinc/33/93/04/319339304.db2.gz OJHYFYMYWAOIPF-QGZVFWFLSA-N 2 0 340.427 1.503 20 0 EDADRP Cc1cccc(N2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414681460 319341304 /nfs/dbraw/zinc/34/13/04/319341304.db2.gz PHRGTAPAWREWBL-QGZVFWFLSA-N 2 0 330.476 1.314 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414683855 319341770 /nfs/dbraw/zinc/34/17/70/319341770.db2.gz CBXVSNOXRQSYFM-WMZOPIPTSA-N 2 0 345.487 1.770 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)c1 ZINC000414692355 319343284 /nfs/dbraw/zinc/34/32/84/319343284.db2.gz AYFIRDQIPQOWFU-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693488 319343457 /nfs/dbraw/zinc/34/34/57/319343457.db2.gz RTHSJWAMENMQKB-WMZOPIPTSA-N 2 0 345.487 1.899 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414777146 319343781 /nfs/dbraw/zinc/34/37/81/319343781.db2.gz GMBNOMJXVWNGCF-HBMCJLEFSA-N 3 0 342.531 1.782 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]Cc2cccc(Cn3cccn3)c2)C1 ZINC000415086210 319346437 /nfs/dbraw/zinc/34/64/37/319346437.db2.gz RQTQMTLSEJZWHL-SFHVURJKSA-N 2 0 341.459 1.218 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000415130238 319347396 /nfs/dbraw/zinc/34/73/96/319347396.db2.gz WMWQWLUIAKNUJJ-AWEZNQCLSA-N 2 0 332.448 1.287 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415793517 319370825 /nfs/dbraw/zinc/37/08/25/319370825.db2.gz VBCXOQMBDJUEJL-HNNXBMFYSA-N 2 0 332.448 1.117 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000415812802 319372774 /nfs/dbraw/zinc/37/27/74/319372774.db2.gz DRJJAHSSYPIQMQ-WBVHZDCISA-N 2 0 344.459 1.287 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000415971141 319386135 /nfs/dbraw/zinc/38/61/35/319386135.db2.gz JMDMAXVOAKSVDS-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416158474 319393612 /nfs/dbraw/zinc/39/36/12/319393612.db2.gz GBKHSQCWOKKJTG-UHFFFAOYSA-N 2 0 331.460 1.008 20 0 EDADRP Cc1cc(C)n2c(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cnc2n1 ZINC000185870450 443273073 /nfs/dbraw/zinc/27/30/73/443273073.db2.gz IQBXESQHAGXGRN-AWEZNQCLSA-N 2 0 330.480 1.462 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266875765 443275739 /nfs/dbraw/zinc/27/57/39/443275739.db2.gz ZACMBFATCOATNO-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000191479556 443301008 /nfs/dbraw/zinc/30/10/08/443301008.db2.gz IHIKYHUGEZPNFC-UHFFFAOYSA-N 2 0 349.479 1.653 20 0 EDADRP COc1ccc([C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000416808163 319462009 /nfs/dbraw/zinc/46/20/09/319462009.db2.gz HTYJTBCQGSBMRO-JSGCOSHPSA-N 2 0 338.452 1.295 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000416827491 319464527 /nfs/dbraw/zinc/46/45/27/319464527.db2.gz CTCBAHACHLSBLL-ZBFHGGJFSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)NC(C)(C)CCC[NH3+])cn2)CC1 ZINC000416953806 319484657 /nfs/dbraw/zinc/48/46/57/319484657.db2.gz VRSXPQDQFOTOMA-UHFFFAOYSA-N 2 0 348.495 1.150 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000418649866 319508131 /nfs/dbraw/zinc/50/81/31/319508131.db2.gz WXJGRGRPKHNOSX-KRWDZBQOSA-N 2 0 332.492 1.978 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1 ZINC000272541910 443356921 /nfs/dbraw/zinc/35/69/21/443356921.db2.gz KTKMKKFJJFQYEP-AWEZNQCLSA-N 2 0 339.505 1.977 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000420325563 319610197 /nfs/dbraw/zinc/61/01/97/319610197.db2.gz IUTFOFBSXVHTEB-UIXUWTQFSA-N 2 0 349.519 1.996 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420387374 319615124 /nfs/dbraw/zinc/61/51/24/319615124.db2.gz VTQGFXJWANPVQE-RRQGHBQHSA-N 2 0 325.497 1.898 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269689133 443397057 /nfs/dbraw/zinc/39/70/57/443397057.db2.gz WEGRBBBXIZLOMQ-WBVHZDCISA-N 2 0 333.480 1.083 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278710411 443409365 /nfs/dbraw/zinc/40/93/65/443409365.db2.gz LPACOBVDSAVZJJ-BZSNNMDCSA-N 2 0 345.487 1.881 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945092 319740107 /nfs/dbraw/zinc/74/01/07/319740107.db2.gz TZOPJAYZROWNAG-CZUORRHYSA-N 2 0 325.478 1.415 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC(F)(F)[C@H]2O)CC[NH2+]CC1 ZINC000423195977 319755407 /nfs/dbraw/zinc/75/54/07/319755407.db2.gz YQZHCBSBZPKBGT-XQQFMLRXSA-N 2 0 334.407 1.446 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423363998 319767127 /nfs/dbraw/zinc/76/71/27/319767127.db2.gz OOBIUEXVLJQJRU-DGCLKSJQSA-N 2 0 328.254 1.731 20 0 EDADRP C[C@@H](C[NH3+])N[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423368846 319768055 /nfs/dbraw/zinc/76/80/55/319768055.db2.gz NRULQTIOUHDPLS-BLLLJJGKSA-N 2 0 338.883 1.515 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000423396720 319771101 /nfs/dbraw/zinc/77/11/01/319771101.db2.gz SKMROXAKVWFQEH-GXTWGEPZSA-N 2 0 346.431 1.483 20 0 EDADRP CC(C)OCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000273138202 443547674 /nfs/dbraw/zinc/54/76/74/443547674.db2.gz SACHGOQIHHOUJT-UHFFFAOYSA-N 2 0 348.491 1.915 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000272338190 443596152 /nfs/dbraw/zinc/59/61/52/443596152.db2.gz OJPFPAFYTGTFGU-RDJZCZTQSA-N 2 0 344.459 1.239 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279535058 443604314 /nfs/dbraw/zinc/60/43/14/443604314.db2.gz ACDKGPXRNSOGDP-AWEZNQCLSA-N 2 0 348.882 1.646 20 0 EDADRP CCC1(CC)[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@H]1OC ZINC000433150956 319972389 /nfs/dbraw/zinc/97/23/89/319972389.db2.gz MVMDAMBVJCIGIJ-HZPDHXFCSA-N 2 0 325.497 1.900 20 0 EDADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000434964463 320008693 /nfs/dbraw/zinc/00/86/93/320008693.db2.gz WUKCZRMZJZLAMW-OAHLLOKOSA-N 2 0 348.447 1.030 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000438999999 320038124 /nfs/dbraw/zinc/03/81/24/320038124.db2.gz LECZCYPJQKGUGA-MRXNPFEDSA-N 2 0 325.497 1.770 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000440634156 320076047 /nfs/dbraw/zinc/07/60/47/320076047.db2.gz CIHSTYSFVIAICA-SJORKVTESA-N 2 0 327.513 1.970 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(Br)cn2)CC1(C)C ZINC000441354027 320093825 /nfs/dbraw/zinc/09/38/25/320093825.db2.gz WPWJFFOGPGEBSD-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000520999188 320481359 /nfs/dbraw/zinc/48/13/59/320481359.db2.gz YABZGIITJWFNDB-KRWDZBQOSA-N 2 0 331.464 1.606 20 0 EDADRP Cc1nc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1C ZINC000525307832 320489713 /nfs/dbraw/zinc/48/97/13/320489713.db2.gz YSRQQKGPXNSUCH-UHFFFAOYSA-N 2 0 327.498 1.395 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[N@H+](C)CC1)[NH+]1CCc2ccccc2C1 ZINC000298662775 443832401 /nfs/dbraw/zinc/83/24/01/443832401.db2.gz CWUUXEIHYGEXMQ-INIZCTEOSA-N 2 0 330.476 1.780 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000530242237 320617164 /nfs/dbraw/zinc/61/71/64/320617164.db2.gz LXUCGMKYVLSBJC-INIZCTEOSA-N 2 0 344.459 1.196 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277164185 443924196 /nfs/dbraw/zinc/92/41/96/443924196.db2.gz KICGCUVDYSGJCY-QZTJIDSGSA-N 2 0 336.476 1.989 20 0 EDADRP COCCOCc1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000289051382 444042820 /nfs/dbraw/zinc/04/28/20/444042820.db2.gz AHBOSFOGIDTECH-UHFFFAOYSA-N 2 0 349.519 1.965 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000553126143 320936514 /nfs/dbraw/zinc/93/65/14/320936514.db2.gz BAQXZQNYEOQOCP-UHFFFAOYSA-N 2 0 347.503 1.974 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]CCN3CC[N@H+](C)C(C)(C)C3)cc12 ZINC000282051718 444073070 /nfs/dbraw/zinc/07/30/70/444073070.db2.gz BAMZIHBDRDQKOM-UHFFFAOYSA-N 2 0 330.480 1.392 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000557241796 321001125 /nfs/dbraw/zinc/00/11/25/321001125.db2.gz HMMLYVMKSXGFCQ-TWMKSMIVSA-N 2 0 338.496 1.127 20 0 EDADRP CCCOCc1ccccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000562736414 321074569 /nfs/dbraw/zinc/07/45/69/321074569.db2.gz QCYXSXBJWXCMIH-IBGZPJMESA-N 2 0 335.492 1.311 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000562820879 321079498 /nfs/dbraw/zinc/07/94/98/321079498.db2.gz NGRMOEPNUZYZRX-BRWVUGGUSA-N 2 0 345.491 1.543 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000563092075 321094792 /nfs/dbraw/zinc/09/47/92/321094792.db2.gz ISZHSAPNULQFCL-KGLIPLIRSA-N 2 0 337.468 1.337 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1)C(C)C ZINC000563101905 321095614 /nfs/dbraw/zinc/09/56/14/321095614.db2.gz UFKOHOSLKBKOOS-SFHVURJKSA-N 2 0 332.492 1.632 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000563215778 321101404 /nfs/dbraw/zinc/10/14/04/321101404.db2.gz ZTQAVIVTLDFXAD-OALUTQOASA-N 2 0 333.520 1.971 20 0 EDADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825450 321150692 /nfs/dbraw/zinc/15/06/92/321150692.db2.gz IJGKEKCUYOTPLG-DRMAHVMPSA-N 2 0 329.444 1.747 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000565648430 321194722 /nfs/dbraw/zinc/19/47/22/321194722.db2.gz PRYUTNHHWUGVBV-WMZOPIPTSA-N 2 0 331.460 1.868 20 0 EDADRP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000566811514 321234273 /nfs/dbraw/zinc/23/42/73/321234273.db2.gz WMFPBOIAVJKBLV-SUMWQHHRSA-N 2 0 337.489 1.643 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)s1 ZINC000567647083 321250540 /nfs/dbraw/zinc/25/05/40/321250540.db2.gz SGWHDLYMSYBATD-DGCLKSJQSA-N 2 0 331.507 1.313 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000567806489 321259068 /nfs/dbraw/zinc/25/90/68/321259068.db2.gz OHMCTAPKTSSKFX-MAUKXSAKSA-N 2 0 346.475 1.249 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1[NH2+]CCc2ccccc21)C1=CC[N@H+](C)CC1 ZINC000567871322 321263287 /nfs/dbraw/zinc/26/32/87/321263287.db2.gz KCWJHWMCUQOEAF-KBXCAEBGSA-N 2 0 328.460 1.823 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000567881195 321264811 /nfs/dbraw/zinc/26/48/11/321264811.db2.gz UQSBLYCJYZWVOH-GJZGRUSLSA-N 2 0 340.512 1.199 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)cc1 ZINC000569007915 321315125 /nfs/dbraw/zinc/31/51/25/321315125.db2.gz OYBGMVCWTGSXSZ-UHFFFAOYSA-N 2 0 331.460 1.797 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000569098450 321318734 /nfs/dbraw/zinc/31/87/34/321318734.db2.gz GEVZDDKWUREOIT-QRTARXTBSA-N 2 0 344.459 1.320 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000570814842 321359811 /nfs/dbraw/zinc/35/98/11/321359811.db2.gz QIKGJTQLEZHGEZ-HZPDHXFCSA-N 2 0 338.496 1.448 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH2+]C[C@@H]1c1cccc(F)c1 ZINC000570928873 321364073 /nfs/dbraw/zinc/36/40/73/321364073.db2.gz SLCTYJAFWYHKEU-ZCNNSNEGSA-N 2 0 343.446 1.703 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000571743668 321399326 /nfs/dbraw/zinc/39/93/26/321399326.db2.gz MYHPZRVPXTZCNP-CVEARBPZSA-N 2 0 348.495 1.831 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000572136375 321417542 /nfs/dbraw/zinc/41/75/42/321417542.db2.gz WFVNMKUUEAEAKO-YOEHRIQHSA-N 2 0 331.464 1.658 20 0 EDADRP COC(=O)CC1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000573376749 321452189 /nfs/dbraw/zinc/45/21/89/321452189.db2.gz YRJRZOMBMIZSTR-OAHLLOKOSA-N 2 0 333.432 1.091 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000285977785 444167601 /nfs/dbraw/zinc/16/76/01/444167601.db2.gz MRVHTBQJKVSHAN-KBPBESRZSA-N 2 0 335.452 1.310 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000574690286 321496095 /nfs/dbraw/zinc/49/60/95/321496095.db2.gz CQMQNZOHMZUSSW-CVEARBPZSA-N 2 0 325.497 1.674 20 0 EDADRP Cc1nccn1C[C@@H]1CCCN1C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000290358400 444271272 /nfs/dbraw/zinc/27/12/72/444271272.db2.gz LIHSINPQULWDQV-HOTGVXAUSA-N 2 0 327.432 1.950 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000303984222 444239002 /nfs/dbraw/zinc/23/90/02/444239002.db2.gz HPGGTJUKOBKUDA-DLBZAZTESA-N 2 0 340.512 1.110 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082279 444239667 /nfs/dbraw/zinc/23/96/67/444239667.db2.gz VDWTUMHJEIEHFB-UYAOXDASSA-N 2 0 331.504 1.895 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304257054 444244272 /nfs/dbraw/zinc/24/42/72/444244272.db2.gz DODZTGJKRCRQCX-UXHICEINSA-N 2 0 331.504 1.897 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCc1cccnc1N1CCOCC1 ZINC000290635383 444304227 /nfs/dbraw/zinc/30/42/27/444304227.db2.gz HNJBQSIGENZHLJ-OAHLLOKOSA-N 2 0 349.479 1.446 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccnnc1 ZINC000297426740 444285930 /nfs/dbraw/zinc/28/59/30/444285930.db2.gz OAQXKDCIEVNQEX-UHFFFAOYSA-N 2 0 341.419 1.205 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000578010842 321707220 /nfs/dbraw/zinc/70/72/20/321707220.db2.gz ADAAFUNHNIDJHZ-GZIXRCOHSA-N 2 0 336.455 1.944 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+](C2CCOCC2)CC1 ZINC000297540833 444298644 /nfs/dbraw/zinc/29/86/44/444298644.db2.gz OTBVMHUABXELKX-UHFFFAOYSA-N 2 0 343.431 1.341 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1cnn(CC(F)F)c1)N1CC[NH+](C)CC1 ZINC000323604765 444343900 /nfs/dbraw/zinc/34/39/00/444343900.db2.gz IYZHIEIWBZUEIR-OAHLLOKOSA-N 2 0 329.439 1.510 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683780 444351074 /nfs/dbraw/zinc/35/10/74/444351074.db2.gz OPUQCCINAIGETH-IAGOWNOFSA-N 2 0 340.512 1.374 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000578499781 321784261 /nfs/dbraw/zinc/78/42/61/321784261.db2.gz ZQPRYNBZKLNABF-FUHWJXTLSA-N 2 0 335.517 1.215 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000340466136 444389345 /nfs/dbraw/zinc/38/93/45/444389345.db2.gz LQWMTAHMNPTLLU-LJQANCHMSA-N 2 0 342.491 1.464 20 0 EDADRP C[C@H](CC(N)=O)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469562 444390862 /nfs/dbraw/zinc/39/08/62/444390862.db2.gz KSAUTQJTAVMWHV-SJLPKXTDSA-N 2 0 345.487 1.769 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000579332260 321919530 /nfs/dbraw/zinc/91/95/30/321919530.db2.gz WEVNQKBIRGNSNM-WBVHZDCISA-N 2 0 346.475 1.965 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000340638346 444468136 /nfs/dbraw/zinc/46/81/36/444468136.db2.gz ICEUGTZTVOXFST-UHFFFAOYSA-N 2 0 328.464 1.869 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000579830232 321975391 /nfs/dbraw/zinc/97/53/91/321975391.db2.gz RNOIQIPDYHFFCT-XKQJLSEDSA-N 2 0 332.448 1.230 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000580311635 322035492 /nfs/dbraw/zinc/03/54/92/322035492.db2.gz VSTPKDLGPHHQJV-MOPGFXCFSA-N 2 0 344.503 1.975 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000580573924 322070449 /nfs/dbraw/zinc/07/04/49/322070449.db2.gz SIYLAXFRRVKRCB-IYBDPMFKSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1nsc2ccccc21 ZINC000580829231 322100392 /nfs/dbraw/zinc/10/03/92/322100392.db2.gz FDZARHVAULEKIR-UHFFFAOYSA-N 2 0 334.489 1.791 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000580946168 322115352 /nfs/dbraw/zinc/11/53/52/322115352.db2.gz FGVZQSKVLAHXNK-LZQZEXGQSA-N 2 0 344.503 1.472 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000580962085 322118427 /nfs/dbraw/zinc/11/84/27/322118427.db2.gz MIRHSPDJYFUPCL-DOMZBBRYSA-N 2 0 332.448 1.957 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000581616131 322200165 /nfs/dbraw/zinc/20/01/65/322200165.db2.gz DAZBJQHLKQOZEN-UHFFFAOYSA-N 2 0 347.438 1.575 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000581715390 322212412 /nfs/dbraw/zinc/21/24/12/322212412.db2.gz BELGSASTERJSAZ-DOTOQJQBSA-N 2 0 332.448 1.575 20 0 EDADRP O=C1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000581720307 322212907 /nfs/dbraw/zinc/21/29/07/322212907.db2.gz IZDZCPFQDXSEBJ-AXHNFQJDSA-N 2 0 327.428 1.595 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000332405905 444513307 /nfs/dbraw/zinc/51/33/07/444513307.db2.gz PDOBLFQVTYNJSI-QMCVQRASSA-N 2 0 338.496 1.276 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C[C@H](C)O1 ZINC000340966498 444603656 /nfs/dbraw/zinc/60/36/56/444603656.db2.gz VDGFAPOBJCUMEP-LVQVYYBASA-N 2 0 326.485 1.268 20 0 EDADRP CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ncc[nH]1 ZINC000332953995 444608971 /nfs/dbraw/zinc/60/89/71/444608971.db2.gz GHFHCXCUHYBCPT-ZBFHGGJFSA-N 2 0 346.479 1.282 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)([NH+](C)C)C1 ZINC000343836140 444619183 /nfs/dbraw/zinc/61/91/83/444619183.db2.gz VCVUFAQOSPLLND-RPZWUGTHSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@@H](C)C[NH2+]1 ZINC000333858943 444703607 /nfs/dbraw/zinc/70/36/07/444703607.db2.gz YXMAUFGOSPFDIP-WBTNSWJXSA-N 2 0 348.495 1.195 20 0 EDADRP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ncn1 ZINC000333895638 444711487 /nfs/dbraw/zinc/71/14/87/444711487.db2.gz YGDPTVHUWRBVLN-XHSDSOJGSA-N 2 0 331.464 1.264 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000333907750 444715221 /nfs/dbraw/zinc/71/52/21/444715221.db2.gz DDOHBULVCYBSSH-ZFWWWQNUSA-N 2 0 349.454 1.381 20 0 EDADRP Cc1nccn1CCNC(=O)NCCN1CCc2sccc2C1 ZINC000338499425 444721963 /nfs/dbraw/zinc/72/19/63/444721963.db2.gz MUWGEDDOEBSJPK-UHFFFAOYSA-N 2 0 333.461 1.611 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@@H]12 ZINC000333941885 444723912 /nfs/dbraw/zinc/72/39/12/444723912.db2.gz PMBSPGZPKHGFCD-RCCFBDPRSA-N 2 0 328.460 1.423 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009552 444725576 /nfs/dbraw/zinc/72/55/76/444725576.db2.gz BAONBTUPUJLSDU-CALCHBBNSA-N 2 0 326.529 1.306 20 0 EDADRP C[C@@H](C(=O)NC1CCC(C)CC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040589 444744183 /nfs/dbraw/zinc/74/41/83/444744183.db2.gz VOGAPZWUNDKGAM-ADKAHSJRSA-N 2 0 340.556 1.885 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)C[C@@H](O)C(C)(C)C ZINC000341253220 444749444 /nfs/dbraw/zinc/74/94/44/444749444.db2.gz ARDOTUSGVVDZQN-DOTOQJQBSA-N 2 0 332.448 1.823 20 0 EDADRP CC[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CC[N@@H+]1C[C@H](C)O ZINC000334102916 444780360 /nfs/dbraw/zinc/78/03/60/444780360.db2.gz WYNJIBOTXJBGAS-YYHXJNRASA-N 2 0 338.496 1.098 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH+]2C)C[C@H]1CC ZINC000342656287 444799498 /nfs/dbraw/zinc/79/94/98/444799498.db2.gz LGSIIIUTOHGEKY-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000342691672 444816791 /nfs/dbraw/zinc/81/67/91/444816791.db2.gz IHNXJSCEQNFXCT-PBHICJAKSA-N 2 0 347.459 1.609 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000342709576 444827121 /nfs/dbraw/zinc/82/71/21/444827121.db2.gz OWPNGEAALDRPMQ-RRFJBIMHSA-N 2 0 327.469 1.284 20 0 EDADRP CC[C@H](C(=O)OC)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000338839607 444882213 /nfs/dbraw/zinc/88/22/13/444882213.db2.gz HMYPYLSEBRVDNI-CABCVRRESA-N 2 0 327.469 1.060 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000337185563 444978111 /nfs/dbraw/zinc/97/81/11/444978111.db2.gz OLOGYUCWHIEUAD-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP O=S1(=O)CCC[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000341880171 445049868 /nfs/dbraw/zinc/04/98/68/445049868.db2.gz ZLMMZHXURNBGNU-MRXNPFEDSA-N 2 0 344.521 1.388 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000344548960 445051974 /nfs/dbraw/zinc/05/19/74/445051974.db2.gz OHSJPXMCIFDTNK-IXDOHACOSA-N 2 0 338.496 1.005 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147833 445095981 /nfs/dbraw/zinc/09/59/81/445095981.db2.gz DEEFEVKZWAVXKX-NEWSRXKRSA-N 2 0 342.487 1.328 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343150508 445098912 /nfs/dbraw/zinc/09/89/12/445098912.db2.gz KJPDTUIEIJHNLD-BRWVUGGUSA-N 2 0 336.524 1.249 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000343173561 445113855 /nfs/dbraw/zinc/11/38/55/445113855.db2.gz NYXYWDUCVRHCKA-CVEARBPZSA-N 2 0 340.512 1.022 20 0 EDADRP CC[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339270071 445127036 /nfs/dbraw/zinc/12/70/36/445127036.db2.gz KHQUJWQXCDTAGP-IEBWSBKVSA-N 2 0 346.519 1.649 20 0 EDADRP O=C(NCC[NH+]1CCC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000337667100 445193721 /nfs/dbraw/zinc/19/37/21/445193721.db2.gz VCXAOOPHJKQOLJ-UHFFFAOYSA-N 2 0 346.475 1.148 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000339638811 445155846 /nfs/dbraw/zinc/15/58/46/445155846.db2.gz JSRFJAMMNALLTB-SQNIBIBYSA-N 2 0 334.508 1.987 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000343416500 445218559 /nfs/dbraw/zinc/21/85/59/445218559.db2.gz YWGRZGXQFHUXHC-OALUTQOASA-N 2 0 342.487 1.157 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347519195 445240718 /nfs/dbraw/zinc/24/07/18/445240718.db2.gz DEOIVMUAQLFQRM-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000351793072 445324091 /nfs/dbraw/zinc/32/40/91/445324091.db2.gz MSAUPMUPYNICLY-GJZGRUSLSA-N 2 0 340.512 1.346 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348130056 445284216 /nfs/dbraw/zinc/28/42/16/445284216.db2.gz UEVBOWQTJZRLTC-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[C@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000348430614 445287984 /nfs/dbraw/zinc/28/79/84/445287984.db2.gz YATPKYPAQNPLTQ-MRXNPFEDSA-N 2 0 345.447 1.314 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](C)[C@H](O)C2)CC1 ZINC000351820142 445332789 /nfs/dbraw/zinc/33/27/89/445332789.db2.gz COTUSXGPUHUADG-PKOBYXMFSA-N 2 0 345.487 1.342 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000351829952 445336199 /nfs/dbraw/zinc/33/61/99/445336199.db2.gz BTLQWEHLYZOUBN-CRAIPNDOSA-N 2 0 330.476 1.243 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cnc(C)nc2)CC1 ZINC000351843499 445340196 /nfs/dbraw/zinc/34/01/96/445340196.db2.gz FLDBOLCZQHGIKW-UHFFFAOYSA-N 2 0 347.507 1.845 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354713200 445348572 /nfs/dbraw/zinc/34/85/72/445348572.db2.gz QKHBYHTZBYNPPV-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000351960792 445401559 /nfs/dbraw/zinc/40/15/59/445401559.db2.gz WIPKKWGSXFGIGD-CRAIPNDOSA-N 2 0 331.460 1.211 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]1C1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000348952610 445452966 /nfs/dbraw/zinc/45/29/66/445452966.db2.gz VXBXEAVLGPPIIU-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCSC3(CCOCC3)C2)CC1 ZINC000352046349 445457281 /nfs/dbraw/zinc/45/72/81/445457281.db2.gz SXJKAMMLDVWINF-UHFFFAOYSA-N 2 0 341.521 1.185 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000359872211 445469611 /nfs/dbraw/zinc/46/96/11/445469611.db2.gz GSFDHWFEEULXAF-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP COC1CCN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000349168874 445526667 /nfs/dbraw/zinc/52/66/67/445526667.db2.gz SXTBYHVXAKCSQT-UHFFFAOYSA-N 2 0 328.501 1.423 20 0 EDADRP CN(CC[N@H+](C)Cc1ccc([S@](C)=O)cc1)C1CC[NH+](C)CC1 ZINC000349063565 445492678 /nfs/dbraw/zinc/49/26/78/445492678.db2.gz QHFRVNXGZRFOEH-QHCPKHFHSA-N 2 0 337.533 1.882 20 0 EDADRP Cc1cc(C)n2c(C[N@H+](C)CCCN3CC[NH+](C)CC3)cnc2n1 ZINC000349330829 445566175 /nfs/dbraw/zinc/56/61/75/445566175.db2.gz KINAYSRKIBPTAC-UHFFFAOYSA-N 2 0 330.480 1.415 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NCC2([NH+](C)C)CCOCC2)CC[N@@H+]1C ZINC000362857137 445583026 /nfs/dbraw/zinc/58/30/26/445583026.db2.gz VFULIDDFNUQHMM-OAHLLOKOSA-N 2 0 326.485 1.079 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000353523831 445642178 /nfs/dbraw/zinc/64/21/78/445642178.db2.gz CAAYCANOWNBKNN-UHFFFAOYSA-N 2 0 329.448 1.810 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000353502891 445632716 /nfs/dbraw/zinc/63/27/16/445632716.db2.gz MQSIPXBORHEYDN-PQEBFOHHSA-N 2 0 348.443 1.617 20 0 EDADRP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1(C(=O)OC)CCC1 ZINC000353543073 445650474 /nfs/dbraw/zinc/65/04/74/445650474.db2.gz OPACJPOBXUISCQ-SJORKVTESA-N 2 0 339.524 1.970 20 0 EDADRP CN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349801190 445682242 /nfs/dbraw/zinc/68/22/42/445682242.db2.gz MXTWZVPZGZCCME-SFHVURJKSA-N 2 0 330.476 1.997 20 0 EDADRP Cn1cc(-c2ncc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cn2)cn1 ZINC000353661349 445696596 /nfs/dbraw/zinc/69/65/96/445696596.db2.gz WXVATSXXNMXKER-UHFFFAOYSA-N 2 0 344.463 1.420 20 0 EDADRP CCCC[N@H+](C)CC1CCN([C@@H]2CCN(c3ccn(C)n3)C2=O)CC1 ZINC000363175786 445707694 /nfs/dbraw/zinc/70/76/94/445707694.db2.gz AYBFWUFGAVOFGD-QGZVFWFLSA-N 2 0 347.507 1.969 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC000356293117 445722059 /nfs/dbraw/zinc/72/20/59/445722059.db2.gz HMUQGTXZRBACOF-MJGOQNOKSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C1 ZINC000363247786 445738975 /nfs/dbraw/zinc/73/89/75/445738975.db2.gz VDYKWBJAFUTYCF-DLBZAZTESA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358723023 445743167 /nfs/dbraw/zinc/74/31/67/445743167.db2.gz OXXVUZFVVCKMQG-BEFAXECRSA-N 2 0 348.491 1.482 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000350027655 445752163 /nfs/dbraw/zinc/75/21/63/445752163.db2.gz PJOZTFWZQBPMAM-INIZCTEOSA-N 2 0 336.480 1.121 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353793278 445758583 /nfs/dbraw/zinc/75/85/83/445758583.db2.gz JICWDOIPTZZENM-BZSNNMDCSA-N 2 0 336.524 1.249 20 0 EDADRP CN(CC[N@@H+]1CCCOCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361391307 445763315 /nfs/dbraw/zinc/76/33/15/445763315.db2.gz OJDXCEOXDOZKMM-HXUWFJFHSA-N 2 0 347.503 1.278 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC000363317026 445764054 /nfs/dbraw/zinc/76/40/54/445764054.db2.gz SMWSLMYUWXFFOM-RCCFBDPRSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[C@H](C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000363391735 445784944 /nfs/dbraw/zinc/78/49/44/445784944.db2.gz YFDLCYWZZHDXHD-RBUKOAKNSA-N 2 0 346.519 1.678 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521787 445801588 /nfs/dbraw/zinc/80/15/88/445801588.db2.gz IWHLZJPMWFNSKW-MRXNPFEDSA-N 2 0 327.513 1.827 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000361583870 445833017 /nfs/dbraw/zinc/83/30/17/445833017.db2.gz SWCJOJUOMVOTFY-BRWVUGGUSA-N 2 0 338.496 1.413 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004172 445889853 /nfs/dbraw/zinc/88/98/53/445889853.db2.gz RZDPZWPCILLWCQ-GPMSIDNRSA-N 2 0 337.508 1.948 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359060616 445919114 /nfs/dbraw/zinc/91/91/14/445919114.db2.gz URQZDSFXARDAHV-DLBZAZTESA-N 2 0 342.528 1.907 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC000361793337 445950969 /nfs/dbraw/zinc/95/09/69/445950969.db2.gz WZSNHIQSUNKMPQ-HLLBOEOZSA-N 2 0 342.553 1.938 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000361897939 446048071 /nfs/dbraw/zinc/04/80/71/446048071.db2.gz XUIGGOAHRIZJEY-KRWDZBQOSA-N 2 0 335.496 1.805 20 0 EDADRP CCCCOC[C@@H](O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365119606 446038095 /nfs/dbraw/zinc/03/80/95/446038095.db2.gz IPSIBIPOAMBOLV-MSOLQXFVSA-N 2 0 327.513 1.123 20 0 EDADRP CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[NH+](CC)CC ZINC000359208597 446038180 /nfs/dbraw/zinc/03/81/80/446038180.db2.gz CFPSGWXGMJRASL-DOTOQJQBSA-N 2 0 327.513 1.658 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)n1 ZINC000582972886 325972555 /nfs/dbraw/zinc/97/25/55/325972555.db2.gz KSXLYYBMHMRXCC-MRXNPFEDSA-N 2 0 333.480 1.535 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C1 ZINC000361892305 446045683 /nfs/dbraw/zinc/04/56/83/446045683.db2.gz FBQJWTOYPMGVCP-BSDSXHPESA-N 2 0 337.508 1.759 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000361893763 446046517 /nfs/dbraw/zinc/04/65/17/446046517.db2.gz ROKYCTSINSWVPN-OTWHNJEPSA-N 2 0 341.540 1.681 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000354208037 446001555 /nfs/dbraw/zinc/00/15/55/446001555.db2.gz NMLHBOTXBGPWPD-FUHWJXTLSA-N 2 0 338.540 1.780 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359220569 446051278 /nfs/dbraw/zinc/05/12/78/446051278.db2.gz FMUKKYUAEDJULJ-MRXNPFEDSA-N 3 0 339.528 1.138 20 0 EDADRP CO[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000359221412 446051313 /nfs/dbraw/zinc/05/13/13/446051313.db2.gz QPWUXHYBIVVLHT-RTBURBONSA-N 2 0 345.487 1.863 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1 ZINC000583192273 326022729 /nfs/dbraw/zinc/02/27/29/326022729.db2.gz DVIJGWFICSCWQT-ZBFHGGJFSA-N 2 0 331.464 1.846 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000583192665 326022854 /nfs/dbraw/zinc/02/28/54/326022854.db2.gz WATQKUYFFUHESG-UHFFFAOYSA-N 2 0 330.432 1.942 20 0 EDADRP CC[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1F ZINC000583317248 326048552 /nfs/dbraw/zinc/04/85/52/326048552.db2.gz AXUBIYACOMLMPM-HOTGVXAUSA-N 2 0 339.455 1.181 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000583431199 326071422 /nfs/dbraw/zinc/07/14/22/326071422.db2.gz DVLLVKZUMVPCLJ-ICSRJNTNSA-N 2 0 345.487 1.830 20 0 EDADRP CO[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C[NH3+])C1 ZINC000359229053 446059489 /nfs/dbraw/zinc/05/94/89/446059489.db2.gz HOUHRTRHJQROON-ZWKOTPCHSA-N 2 0 331.460 1.861 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000584092067 326196991 /nfs/dbraw/zinc/19/69/91/326196991.db2.gz ZQUDBUOUUTUSFL-OALUTQOASA-N 2 0 342.491 1.635 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000373192729 446089268 /nfs/dbraw/zinc/08/92/68/446089268.db2.gz WANBEVVFQGANJD-QYZOEREBSA-N 2 0 344.503 1.895 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000354348401 446132363 /nfs/dbraw/zinc/13/23/63/446132363.db2.gz NXLGRRCDCBRCDK-IAGOWNOFSA-N 2 0 333.480 1.393 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000359282890 446118956 /nfs/dbraw/zinc/11/89/56/446118956.db2.gz XSNPBYHPXZEZTN-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000351569017 446167527 /nfs/dbraw/zinc/16/75/27/446167527.db2.gz SLBXOQWBCPTPMX-OAHLLOKOSA-N 2 0 325.478 1.463 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)c2cccn2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000366329839 446155952 /nfs/dbraw/zinc/15/59/52/446155952.db2.gz ZIOGCJIQVMDBEY-HOTGVXAUSA-N 2 0 348.491 1.642 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2COCCN2C2CCCC2)C1 ZINC000354438707 446204186 /nfs/dbraw/zinc/20/41/86/446204186.db2.gz OZNJMKDJRZWQNY-AEFFLSMTSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)[C@@]2([NH+](C)C)CCCSC2)CCCO1 ZINC000365455028 446214942 /nfs/dbraw/zinc/21/49/42/446214942.db2.gz GSUHKAVESJHAIR-NVXWUHKLSA-N 2 0 343.537 1.431 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000365614435 446274660 /nfs/dbraw/zinc/27/46/60/446274660.db2.gz TWIGJPOVNTXWSK-CQSZACIVSA-N 2 0 345.447 1.822 20 0 EDADRP C[NH+](C)CC1(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC1 ZINC000374152091 446354702 /nfs/dbraw/zinc/35/47/02/446354702.db2.gz VCCRVZWTPNIAHL-UHFFFAOYSA-N 2 0 334.468 1.756 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417510610 446357997 /nfs/dbraw/zinc/35/79/97/446357997.db2.gz XKSWXVJIJWIVPE-MOPGFXCFSA-N 2 0 344.503 1.944 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000417518187 446360428 /nfs/dbraw/zinc/36/04/28/446360428.db2.gz SCIXOTUUMCWURY-KRWDZBQOSA-N 2 0 348.491 1.877 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000417524445 446361307 /nfs/dbraw/zinc/36/13/07/446361307.db2.gz JNTXZDXJZGCELM-QGZVFWFLSA-N 2 0 348.491 1.692 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000417544961 446363513 /nfs/dbraw/zinc/36/35/13/446363513.db2.gz IMNUFAWTOVLEPK-CQSZACIVSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417548471 446363776 /nfs/dbraw/zinc/36/37/76/446363776.db2.gz VTNUKDCBVSYEBK-INIZCTEOSA-N 2 0 339.528 1.173 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)[C@@H](C)C1 ZINC000370632847 446365621 /nfs/dbraw/zinc/36/56/21/446365621.db2.gz DHHXOVIFXMFFFF-ZOBUZTSGSA-N 2 0 330.476 1.684 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CCC[NH3+])c2ccccc2)C1 ZINC000417717546 446370915 /nfs/dbraw/zinc/37/09/15/446370915.db2.gz VFCJMZSSRBWGOM-IAGOWNOFSA-N 2 0 334.464 1.487 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417866391 446375478 /nfs/dbraw/zinc/37/54/78/446375478.db2.gz CFOZALKZHOMEBX-RDJZCZTQSA-N 2 0 326.485 1.032 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417899279 446380488 /nfs/dbraw/zinc/38/04/88/446380488.db2.gz YMKOLTQTWGXDSO-SJLPKXTDSA-N 2 0 336.524 1.995 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000417926664 446387945 /nfs/dbraw/zinc/38/79/45/446387945.db2.gz DULJRKRJIGLSKL-RHSMWYFYSA-N 2 0 333.480 1.890 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3cc[nH]c3n2)CC[NH2+]CC1 ZINC000423123400 446431695 /nfs/dbraw/zinc/43/16/95/446431695.db2.gz MPOORJKVKPIQQJ-ZDUSSCGKSA-N 2 0 330.432 1.974 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000418169167 446443235 /nfs/dbraw/zinc/44/32/35/446443235.db2.gz MTRIBYUVLMPQFZ-GOSISDBHSA-N 2 0 346.475 1.696 20 0 EDADRP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420286807 446453178 /nfs/dbraw/zinc/45/31/78/446453178.db2.gz FQOKNDBNENSJHN-GOEBONIOSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990238 446409073 /nfs/dbraw/zinc/40/90/73/446409073.db2.gz KDDFBYUIYCIVJM-SCRDCRAPSA-N 2 0 332.439 1.921 20 0 EDADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000417998732 446411692 /nfs/dbraw/zinc/41/16/92/446411692.db2.gz UYTSWYUYVOSKFY-QGZVFWFLSA-N 2 0 346.475 1.365 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418043895 446423511 /nfs/dbraw/zinc/42/35/11/446423511.db2.gz ZGKQZNGZBNRLAY-QZTJIDSGSA-N 2 0 348.491 1.431 20 0 EDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000423209825 446455426 /nfs/dbraw/zinc/45/54/26/446455426.db2.gz VWAUXMPWANWWRN-QGZVFWFLSA-N 2 0 348.491 1.100 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418204005 446456882 /nfs/dbraw/zinc/45/68/82/446456882.db2.gz PEFQKXMOVFBSMC-JKSUJKDBSA-N 2 0 340.512 1.504 20 0 EDADRP c1cc(N[C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ncc1N1CC[NH2+]CC1 ZINC000423234550 446459945 /nfs/dbraw/zinc/45/99/45/446459945.db2.gz QAWGBPVNVJSOBR-BRWVUGGUSA-N 2 0 331.464 1.060 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC[C@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299867 446461681 /nfs/dbraw/zinc/46/16/81/446461681.db2.gz JPUAOQCVLYPXLJ-KDOFPFPSSA-N 2 0 347.459 1.741 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000452799571 446474745 /nfs/dbraw/zinc/47/47/45/446474745.db2.gz UADGRAKJUOCYHV-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Nc3cccnn3)CC2)cc1 ZINC000420317921 446483178 /nfs/dbraw/zinc/48/31/78/446483178.db2.gz NJRMSLIBOMOFRD-INIZCTEOSA-N 2 0 341.459 2.104 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000423318051 446486522 /nfs/dbraw/zinc/48/65/22/446486522.db2.gz BXVAABSOIZWRKX-KDOFPFPSSA-N 2 0 331.460 1.970 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])C2CCC2)c1 ZINC000423329221 446491816 /nfs/dbraw/zinc/49/18/16/446491816.db2.gz OGTLCLWUAKFQRC-KRWDZBQOSA-N 2 0 346.475 1.824 20 0 EDADRP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420327120 446495995 /nfs/dbraw/zinc/49/59/95/446495995.db2.gz DBEZZHOLZMIQIY-IYBDPMFKSA-N 2 0 344.459 1.883 20 0 EDADRP COC[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000423338611 446494322 /nfs/dbraw/zinc/49/43/22/446494322.db2.gz WHLCATDGOXKTLV-INIZCTEOSA-N 2 0 341.521 1.090 20 0 EDADRP C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000423338084 446495126 /nfs/dbraw/zinc/49/51/26/446495126.db2.gz ASDMACHCTPKFRG-GJZGRUSLSA-N 2 0 333.480 1.729 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000423337773 446495289 /nfs/dbraw/zinc/49/52/89/446495289.db2.gz VOXTWAAMDOCORS-HUUCEWRRSA-N 2 0 325.522 1.852 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423343117 446496550 /nfs/dbraw/zinc/49/65/50/446496550.db2.gz ZEXGCHGNAKBOFM-BEFAXECRSA-N 2 0 344.459 1.449 20 0 EDADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000423396911 446516226 /nfs/dbraw/zinc/51/62/26/446516226.db2.gz BTZQKEWAMRPGBY-QRTARXTBSA-N 2 0 334.464 1.791 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@@H]([NH3+])C2CCC2)CC1)Cc1ccccc1 ZINC000423381080 446509737 /nfs/dbraw/zinc/50/97/37/446509737.db2.gz NHXMTDIBTVRNHF-IBGZPJMESA-N 2 0 344.503 1.390 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420339745 446509815 /nfs/dbraw/zinc/50/98/15/446509815.db2.gz OXVYPFURKNUDNG-UHFFFAOYSA-N 2 0 337.489 1.512 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000423383935 446511205 /nfs/dbraw/zinc/51/12/05/446511205.db2.gz FRZQRLCMOYOGTE-WMLDXEAASA-N 2 0 346.475 1.379 20 0 EDADRP CC(C)CCOCCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420342640 446512763 /nfs/dbraw/zinc/51/27/63/446512763.db2.gz XLBLRIHOEQIVEP-QGZVFWFLSA-N 2 0 325.497 1.629 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423341513 446496975 /nfs/dbraw/zinc/49/69/75/446496975.db2.gz XZEPAKYNSBTWCC-HUUCEWRRSA-N 2 0 333.480 1.301 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418325328 446499359 /nfs/dbraw/zinc/49/93/59/446499359.db2.gz IVPOHVRMPVCFFL-QGZVFWFLSA-N 2 0 333.480 1.545 20 0 EDADRP COc1cccc(OCC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385019 446561417 /nfs/dbraw/zinc/56/14/17/446561417.db2.gz GFPREKAYXPQNMR-MSOLQXFVSA-N 2 0 332.444 1.774 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418487775 446561970 /nfs/dbraw/zinc/56/19/70/446561970.db2.gz JEHRELHQAONHDG-SJORKVTESA-N 2 0 334.464 1.440 20 0 EDADRP C[N@H+](CCC(=O)NC1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367623356 446568574 /nfs/dbraw/zinc/56/85/74/446568574.db2.gz NNFZPRXMZZQDDX-GOSISDBHSA-N 2 0 336.524 1.536 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C(C)(C)C ZINC000433372893 446565994 /nfs/dbraw/zinc/56/59/94/446565994.db2.gz BPOZPBHAEJYBNJ-KGLIPLIRSA-N 2 0 336.484 1.299 20 0 EDADRP C[N@H+](CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000433371199 446566053 /nfs/dbraw/zinc/56/60/53/446566053.db2.gz AEWWTTVODZARAR-INIZCTEOSA-N 2 0 342.447 1.064 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423402199 446517580 /nfs/dbraw/zinc/51/75/80/446517580.db2.gz WNMUDSLPYRKGCW-QEJZJMRPSA-N 2 0 325.478 1.857 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000423410239 446521259 /nfs/dbraw/zinc/52/12/59/446521259.db2.gz CWKVJKOTSSGMDO-JKSUJKDBSA-N 2 0 340.512 1.153 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000418379032 446521371 /nfs/dbraw/zinc/52/13/71/446521371.db2.gz IRDYHEMUANEOSB-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418379757 446521481 /nfs/dbraw/zinc/52/14/81/446521481.db2.gz WGXYWMBMONNJMA-QRVBRYPASA-N 2 0 342.487 1.902 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000423410714 446523835 /nfs/dbraw/zinc/52/38/35/446523835.db2.gz SNSGBJXCIGREFI-WBVHZDCISA-N 2 0 333.480 1.515 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@@H]([NH3+])C(C)C)CC2)cc1 ZINC000418397272 446527864 /nfs/dbraw/zinc/52/78/64/446527864.db2.gz DERKMIQCRHDZNU-GOSISDBHSA-N 2 0 348.491 1.896 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433377800 446567083 /nfs/dbraw/zinc/56/70/83/446567083.db2.gz NUPOFRRSJPWBOH-QGZVFWFLSA-N 2 0 345.491 1.898 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423428328 446532604 /nfs/dbraw/zinc/53/26/04/446532604.db2.gz GMEQNUPRGCWALY-CVEARBPZSA-N 2 0 347.507 1.834 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCO[C@H]3CCCCO3)CC2)C1 ZINC000367306053 446533882 /nfs/dbraw/zinc/53/38/82/446533882.db2.gz TZZFATKJZOPLDX-MSOLQXFVSA-N 2 0 325.497 1.632 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000420362366 446541797 /nfs/dbraw/zinc/54/17/97/446541797.db2.gz OBVPYYXAKHOEOS-HNNXBMFYSA-N 2 0 332.448 1.380 20 0 EDADRP COc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1OC ZINC000433177652 446543021 /nfs/dbraw/zinc/54/30/21/446543021.db2.gz VECCHYPEOSRAKZ-UHFFFAOYSA-N 2 0 335.448 1.523 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420364133 446543858 /nfs/dbraw/zinc/54/38/58/446543858.db2.gz IHYJZZFICCZVKT-GJYPPUQNSA-N 2 0 344.503 1.435 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000433181280 446544915 /nfs/dbraw/zinc/54/49/15/446544915.db2.gz XMHYCESAKSYIIP-MRXNPFEDSA-N 2 0 346.475 1.634 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418448477 446546577 /nfs/dbraw/zinc/54/65/77/446546577.db2.gz SASVOEUROFHTKX-KRWDZBQOSA-N 2 0 341.544 1.419 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418449968 446546919 /nfs/dbraw/zinc/54/69/19/446546919.db2.gz SRWBEWYESVVCDU-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000418450640 446547324 /nfs/dbraw/zinc/54/73/24/446547324.db2.gz LVJUDDHFJNFFDR-DLBZAZTESA-N 2 0 334.464 1.439 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000418451651 446547438 /nfs/dbraw/zinc/54/74/38/446547438.db2.gz WIYBRJPMCNTCTJ-NJAFHUGGSA-N 2 0 348.491 1.813 20 0 EDADRP COc1ccc(OCC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420371338 446548945 /nfs/dbraw/zinc/54/89/45/446548945.db2.gz DDQRLNZHGFBUDU-HNNXBMFYSA-N 2 0 331.420 1.461 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000418453027 446549330 /nfs/dbraw/zinc/54/93/30/446549330.db2.gz YIZGLXBRMWLWTM-SJORKVTESA-N 2 0 339.528 1.315 20 0 EDADRP C[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453712080 446614663 /nfs/dbraw/zinc/61/46/63/446614663.db2.gz MLOHPKXAVXMGCP-GUYCJALGSA-N 2 0 344.459 1.337 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418612418 446615574 /nfs/dbraw/zinc/61/55/74/446615574.db2.gz IWNCRRBWKWPWMT-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420393792 446568858 /nfs/dbraw/zinc/56/88/58/446568858.db2.gz YPPGILJXHLFEFC-NXOAAHMSSA-N 2 0 335.492 1.191 20 0 EDADRP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420401962 446575086 /nfs/dbraw/zinc/57/50/86/446575086.db2.gz HHWGHRLNMYRXEF-GJZGRUSLSA-N 2 0 333.476 1.600 20 0 EDADRP O=C(CC[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000420410794 446582678 /nfs/dbraw/zinc/58/26/78/446582678.db2.gz RKHWWNLIQCCXDP-SJLPKXTDSA-N 2 0 331.460 1.566 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N1CC[C@H]([NH3+])[C@H]1C)CC2 ZINC000423636052 446618895 /nfs/dbraw/zinc/61/88/95/446618895.db2.gz AVNGOCBDQVORFO-DOMZBBRYSA-N 2 0 333.432 1.010 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCc3[nH]cnc3C2)C[C@@H]1CC ZINC000367747571 446585035 /nfs/dbraw/zinc/58/50/35/446585035.db2.gz UPLNZKCXEPVQQA-CABCVRRESA-N 2 0 349.479 1.409 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418536768 446585213 /nfs/dbraw/zinc/58/52/13/446585213.db2.gz CFXJXPOJBKQPHA-BZUAXINKSA-N 2 0 340.512 1.645 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000371041165 446592574 /nfs/dbraw/zinc/59/25/74/446592574.db2.gz DIGKEVZYIYKCQW-KRWDZBQOSA-N 2 0 340.512 1.328 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418668500 446641555 /nfs/dbraw/zinc/64/15/55/446641555.db2.gz HZNRIJMQGUXSMT-ZSHCYNCHSA-N 2 0 336.867 1.631 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418691153 446649388 /nfs/dbraw/zinc/64/93/88/446649388.db2.gz QHMFVUWDDNCVMR-PVAVHDDUSA-N 2 0 334.464 1.048 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418720756 446654585 /nfs/dbraw/zinc/65/45/85/446654585.db2.gz LWQSNKDQXISREW-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cn2)CC1 ZINC000423719960 446659213 /nfs/dbraw/zinc/65/92/13/446659213.db2.gz CTRBVZMYEBAVAS-HOCLYGCPSA-N 2 0 331.464 1.680 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418753830 446672437 /nfs/dbraw/zinc/67/24/37/446672437.db2.gz VXDYBZCEXZINAA-CQSZACIVSA-N 2 0 334.455 1.993 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418754164 446672631 /nfs/dbraw/zinc/67/26/31/446672631.db2.gz ASRRJKSXCHXRHY-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000418754964 446674820 /nfs/dbraw/zinc/67/48/20/446674820.db2.gz WUUYQBBYNPLZDC-ZIAGYGMSSA-N 2 0 330.423 1.644 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418634429 446625514 /nfs/dbraw/zinc/62/55/14/446625514.db2.gz YTJWOEVIINYPRJ-ILXRZTDVSA-N 2 0 326.485 1.125 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000411634844 446629384 /nfs/dbraw/zinc/62/93/84/446629384.db2.gz VFZSWTDFJHPZJQ-UHFFFAOYSA-N 3 0 349.523 1.758 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C[N@@H+]1C1CC1 ZINC000375277863 446688643 /nfs/dbraw/zinc/68/86/43/446688643.db2.gz YOJPDPBGIFCFMR-GJZGRUSLSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000423763925 446692766 /nfs/dbraw/zinc/69/27/66/446692766.db2.gz SDMZEZUQKNEUNQ-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@H](n2ccnc2)C1 ZINC000376750630 446696172 /nfs/dbraw/zinc/69/61/72/446696172.db2.gz UBKASXBNVZVYJF-IRXDYDNUSA-N 2 0 332.448 1.548 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)C(C)C ZINC000420668378 446736359 /nfs/dbraw/zinc/73/63/59/446736359.db2.gz JXHCZPXVCPBMOC-MRXNPFEDSA-N 2 0 340.512 1.163 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423749944 446680421 /nfs/dbraw/zinc/68/04/21/446680421.db2.gz WOSMBWFBVUSAFU-RCCFBDPRSA-N 2 0 336.524 1.523 20 0 EDADRP COC(=O)CCCN1CCC([NH2+][C@H]2CCN(c3ccn(C)n3)C2)CC1 ZINC000368274727 446752244 /nfs/dbraw/zinc/75/22/44/446752244.db2.gz UQHHAQSAANPAKW-INIZCTEOSA-N 2 0 349.479 1.006 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419002201 446859443 /nfs/dbraw/zinc/85/94/43/446859443.db2.gz BTKFIKMKAVRGEF-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419020940 446870777 /nfs/dbraw/zinc/87/07/77/446870777.db2.gz GLNPZYLTBJHHHZ-VYDXJSESSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029287 446874416 /nfs/dbraw/zinc/87/44/16/446874416.db2.gz RLUFQZLSAOMTHE-CABCVRRESA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420896041 446874504 /nfs/dbraw/zinc/87/45/04/446874504.db2.gz UXIUNTXJKIPEAW-QQFBHYJXSA-N 2 0 340.512 1.346 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000424456558 446875937 /nfs/dbraw/zinc/87/59/37/446875937.db2.gz POZQYBJNMXBBDJ-QGZVFWFLSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@@H]1CN(Cc2cccc(CN3CCOCC3)c2)[C@@H](C)C[N@@H+]1CCO ZINC000420960386 446930363 /nfs/dbraw/zinc/93/03/63/446930363.db2.gz GTXVYZAKYFQHPJ-MSOLQXFVSA-N 2 0 347.503 1.406 20 0 EDADRP CC[NH+]1CCC(N2CCCN([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979302 446952550 /nfs/dbraw/zinc/95/25/50/446952550.db2.gz KJBCKHREYJGPCK-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP OC[C@@H]1C[N@H+](Cc2ccc(CN3CCOCC3)cc2)CCC1(F)F ZINC000420977853 446952821 /nfs/dbraw/zinc/95/28/21/446952821.db2.gz SOEAJWVUZMWIQD-KRWDZBQOSA-N 2 0 340.414 1.968 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419143155 446955280 /nfs/dbraw/zinc/95/52/80/446955280.db2.gz YYALFNFUKRTTPE-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCCC3)CC2)C1 ZINC000372115520 447009951 /nfs/dbraw/zinc/00/99/51/447009951.db2.gz HSTSBHINRUFJPS-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000419157244 446973851 /nfs/dbraw/zinc/97/38/51/446973851.db2.gz WEMOINVPUCYBPW-WMLDXEAASA-N 2 0 348.491 1.382 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419161491 446977368 /nfs/dbraw/zinc/97/73/68/446977368.db2.gz JDUSZVHMEVGMEE-WBVHZDCISA-N 2 0 348.491 1.113 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615245 446982659 /nfs/dbraw/zinc/98/26/59/446982659.db2.gz POCQTFIFMLFDHG-ARFHVFGLSA-N 2 0 347.459 1.522 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000377194330 446983714 /nfs/dbraw/zinc/98/37/14/446983714.db2.gz AELSRYCWRZNWRN-VDZJLULYSA-N 2 0 344.503 1.607 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000368630322 446991952 /nfs/dbraw/zinc/99/19/52/446991952.db2.gz DLYJMAZHAVSQMO-QGZVFWFLSA-N 2 0 327.469 1.555 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443059589 447001374 /nfs/dbraw/zinc/00/13/74/447001374.db2.gz NENVVAGZVAURQU-HUUCEWRRSA-N 2 0 349.475 1.769 20 0 EDADRP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443063094 447002007 /nfs/dbraw/zinc/00/20/07/447002007.db2.gz VUKLJHYMRWUTIE-OAHLLOKOSA-N 2 0 346.475 1.365 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[NH2+]CC2CC2)CC1 ZINC000372107079 447005102 /nfs/dbraw/zinc/00/51/02/447005102.db2.gz GBXNKEVULWRUMK-UHFFFAOYSA-N 2 0 344.459 1.402 20 0 EDADRP NC(=O)NC(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368691749 447041023 /nfs/dbraw/zinc/04/10/23/447041023.db2.gz ISFCBZCWVAKFDO-IRXDYDNUSA-N 2 0 344.459 1.415 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000444393314 447101418 /nfs/dbraw/zinc/10/14/18/447101418.db2.gz QDMPZJKREVKUGS-SJORKVTESA-N 2 0 347.503 1.811 20 0 EDADRP CN(C(=O)[C@@H]1C[C@]12CC[NH2+]C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444185458 447091992 /nfs/dbraw/zinc/09/19/92/447091992.db2.gz QINIMGJWAYSRHZ-ICSRJNTNSA-N 2 0 342.487 1.547 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000455234162 447092286 /nfs/dbraw/zinc/09/22/86/447092286.db2.gz VGBDEDBBCKTGDQ-CALCHBBNSA-N 2 0 346.475 1.775 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1(C)C ZINC000444189629 447094351 /nfs/dbraw/zinc/09/43/51/447094351.db2.gz VWXDOGIDUYSTQZ-UHOFOFEASA-N 2 0 329.510 1.072 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368822973 447135964 /nfs/dbraw/zinc/13/59/64/447135964.db2.gz MCEIQQVFVXCMIO-QGZVFWFLSA-N 2 0 327.513 1.122 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000372569759 447149985 /nfs/dbraw/zinc/14/99/85/447149985.db2.gz CEYRWHBUUXWLPL-GOSISDBHSA-N 2 0 344.503 1.799 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000419410101 447159038 /nfs/dbraw/zinc/15/90/38/447159038.db2.gz AIDYOWGNVKRCNO-NCOADZHNSA-N 2 0 340.512 1.203 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419481471 447213352 /nfs/dbraw/zinc/21/33/52/447213352.db2.gz PAPBRIVJIPFLKG-HNNXBMFYSA-N 2 0 340.512 1.391 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455643342 447194709 /nfs/dbraw/zinc/19/47/09/447194709.db2.gz AEWLXOJYRGOJAA-HNNXBMFYSA-N 2 0 336.484 1.544 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000445861324 447198914 /nfs/dbraw/zinc/19/89/14/447198914.db2.gz ADVXEJNJHWCEOY-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455673987 447207505 /nfs/dbraw/zinc/20/75/05/447207505.db2.gz YYGKQJDTPDPXNG-HNNXBMFYSA-N 2 0 336.484 1.831 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000377621949 447249852 /nfs/dbraw/zinc/24/98/52/447249852.db2.gz HKSIRPRLUSHZLF-MRXNPFEDSA-N 2 0 331.460 1.875 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@H]43)n2)CC1 ZINC000376041139 447229202 /nfs/dbraw/zinc/22/92/02/447229202.db2.gz FIUXXKIFNNZVOW-GOEBONIOSA-N 2 0 346.479 1.708 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000419527078 447242382 /nfs/dbraw/zinc/24/23/82/447242382.db2.gz UUVOFCVLBQQFNB-IAGOWNOFSA-N 2 0 340.512 1.349 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369018586 447266904 /nfs/dbraw/zinc/26/69/04/447266904.db2.gz YLAKUFPEAVHVTE-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP COC[C@@]1(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488628 447479175 /nfs/dbraw/zinc/47/91/75/447479175.db2.gz LUHDKSUETPILQT-AZUAARDMSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1csc(CC[NH3+])n1 ZINC000389904125 447488715 /nfs/dbraw/zinc/48/87/15/447488715.db2.gz FYRJPYIIOPAUMX-UKRRQHHQSA-N 2 0 344.484 1.895 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840056 447488928 /nfs/dbraw/zinc/48/89/28/447488928.db2.gz JIBNBVINCULDHR-YESZJQIVSA-N 2 0 338.496 1.080 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1(C[NH3+])CCOCC1 ZINC000389931446 447489036 /nfs/dbraw/zinc/48/90/36/447489036.db2.gz LFBIIYRXYVYUBU-RDJZCZTQSA-N 2 0 331.460 1.379 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840054 447489282 /nfs/dbraw/zinc/48/92/82/447489282.db2.gz JIBNBVINCULDHR-ULQDDVLXSA-N 2 0 338.496 1.080 20 0 EDADRP COCC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000390006663 447490228 /nfs/dbraw/zinc/49/02/28/447490228.db2.gz XAAXCNXMXKQFPV-SJLPKXTDSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415516353 447492028 /nfs/dbraw/zinc/49/20/28/447492028.db2.gz FUTYJJNMRGSUID-XNJGSVPQSA-N 2 0 344.459 1.370 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000426801587 447503459 /nfs/dbraw/zinc/50/34/59/447503459.db2.gz UZVSAUGAFVXWEG-KRWDZBQOSA-N 2 0 346.519 1.893 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)c1)C1CC1 ZINC000415540588 447504281 /nfs/dbraw/zinc/50/42/81/447504281.db2.gz OLZLJYXRICDTKL-KRWDZBQOSA-N 2 0 344.459 1.115 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390906473 447506390 /nfs/dbraw/zinc/50/63/90/447506390.db2.gz SCWXMADHZYPSPH-SZMVWBNQSA-N 2 0 331.460 1.392 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391078337 447509853 /nfs/dbraw/zinc/50/98/53/447509853.db2.gz YXDPHQIYBVDPCK-UHFFFAOYSA-N 2 0 332.492 1.309 20 0 EDADRP CC1(C)CC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC(C)(C)[NH2+]1 ZINC000457398147 447572111 /nfs/dbraw/zinc/57/21/11/447572111.db2.gz WLVZBYBXIMBXSV-AWEZNQCLSA-N 2 0 340.512 1.442 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000420147181 447635496 /nfs/dbraw/zinc/63/54/96/447635496.db2.gz RRRKDWYGAUQCLX-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908444 447635575 /nfs/dbraw/zinc/63/55/75/447635575.db2.gz BOOAEJSDLFMMQW-MAUKXSAKSA-N 2 0 336.480 1.134 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000416850457 447695904 /nfs/dbraw/zinc/69/59/04/447695904.db2.gz ZOHYTMMSKQNQOC-IRXDYDNUSA-N 2 0 334.464 1.357 20 0 EDADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422634403 447680507 /nfs/dbraw/zinc/68/05/07/447680507.db2.gz JOKLVJDGTVIWLL-UMVBOHGHSA-N 2 0 332.448 1.419 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958591 447684562 /nfs/dbraw/zinc/68/45/62/447684562.db2.gz ZKNHOGJEHFTJFJ-IRXDYDNUSA-N 2 0 340.512 1.254 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000416807950 447688224 /nfs/dbraw/zinc/68/82/24/447688224.db2.gz HOHMGIZHWUEQFP-OAHLLOKOSA-N 2 0 348.447 1.190 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416814843 447691238 /nfs/dbraw/zinc/69/12/38/447691238.db2.gz NOOCLBGUZLKIFF-UHFFFAOYSA-N 2 0 340.512 1.838 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000451258193 447715416 /nfs/dbraw/zinc/71/54/16/447715416.db2.gz FEHWFTRKQUXLID-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416952126 447723099 /nfs/dbraw/zinc/72/30/99/447723099.db2.gz JENNIHPPHIJTQE-GOEBONIOSA-N 2 0 326.485 1.032 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422714774 447725459 /nfs/dbraw/zinc/72/54/59/447725459.db2.gz LLENYQXEUATVBK-WOJBJXKFSA-N 2 0 347.503 1.874 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422720604 447727393 /nfs/dbraw/zinc/72/73/93/447727393.db2.gz SUKCFLMPBKBPGZ-IRXDYDNUSA-N 3 0 332.496 1.109 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720332 447728124 /nfs/dbraw/zinc/72/81/24/447728124.db2.gz SIJWZNWUHSLHAK-IRXDYDNUSA-N 3 0 332.496 1.096 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000417006163 447730082 /nfs/dbraw/zinc/73/00/82/447730082.db2.gz JPGXJNMNLKEVJK-KZNAEPCWSA-N 2 0 336.524 1.994 20 0 EDADRP CN(C)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422727604 447730585 /nfs/dbraw/zinc/73/05/85/447730585.db2.gz HNXPQIMLDLCNFK-YLJYHZDGSA-N 2 0 345.487 1.943 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417025113 447730674 /nfs/dbraw/zinc/73/06/74/447730674.db2.gz XOHFUYSEHRFGAT-ZNMIVQPWSA-N 2 0 340.493 1.499 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417020094 447731185 /nfs/dbraw/zinc/73/11/85/447731185.db2.gz RPIQUKROHQWWBU-ZWKOTPCHSA-N 2 0 330.476 1.827 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417022655 447731226 /nfs/dbraw/zinc/73/12/26/447731226.db2.gz VLJCPAPXXSALQF-YJBOKZPZSA-N 2 0 330.476 1.732 20 0 EDADRP C[C@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC[N@@H+](C2CCC2)C1 ZINC000429364379 447743822 /nfs/dbraw/zinc/74/38/22/447743822.db2.gz SDTCKGVSWUTYSK-INIZCTEOSA-N 2 0 348.535 1.536 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000458218824 447747089 /nfs/dbraw/zinc/74/70/89/447747089.db2.gz HQUUKKBLXJNHKT-INIZCTEOSA-N 2 0 336.505 1.028 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2c(C)nn(C)c2C)CC[NH2+]CC1 ZINC000422812267 447756889 /nfs/dbraw/zinc/75/68/89/447756889.db2.gz WAYARLZLHHRKSP-OAHLLOKOSA-N 2 0 336.480 1.490 20 0 EDADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422824984 447761189 /nfs/dbraw/zinc/76/11/89/447761189.db2.gz OUIFWBHKETXGAJ-GBESFXJTSA-N 2 0 347.503 1.874 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458335354 447771189 /nfs/dbraw/zinc/77/11/89/447771189.db2.gz DKQUGDNNVYQWFC-ZACQAIPSSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915943 447772537 /nfs/dbraw/zinc/77/25/37/447772537.db2.gz ZLJMRAHZTFIOHA-CABCVRRESA-N 2 0 339.505 1.696 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945090 447777660 /nfs/dbraw/zinc/77/76/60/447777660.db2.gz TZOPJAYZROWNAG-BBRMVZONSA-N 2 0 325.478 1.415 20 0 EDADRP O[C@H](C[NH+]1CCC[C@@]2(CCOC2)C1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451913368 447781764 /nfs/dbraw/zinc/78/17/64/447781764.db2.gz WLMJTDBKHMZNOG-LDLYASANSA-N 2 0 338.492 1.352 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC)N2CCCC2)CC[NH2+]CC1 ZINC000422962860 447782423 /nfs/dbraw/zinc/78/24/23/447782423.db2.gz GVKBYRTVIYERAV-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP O[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000422969597 447784045 /nfs/dbraw/zinc/78/40/45/447784045.db2.gz USRFNTDCVPGUQN-MXEMCNAFSA-N 2 0 343.515 1.916 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCOC[C@@H]2OCC)CC[NH2+]CC1 ZINC000423040050 447796314 /nfs/dbraw/zinc/79/63/14/447796314.db2.gz SHONZIXVYKPKSJ-ZNMIVQPWSA-N 2 0 328.453 1.091 20 0 EDADRP Cc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1S(C)(=O)=O ZINC000423080232 447800899 /nfs/dbraw/zinc/80/08/99/447800899.db2.gz ZFFPYGFMVWVQLY-DOTOQJQBSA-N 2 0 338.473 1.255 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699550 447803088 /nfs/dbraw/zinc/80/30/88/447803088.db2.gz GEUOSYFTESVHFO-QAETUUGQSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000471653061 447807567 /nfs/dbraw/zinc/80/75/67/447807567.db2.gz IPKCZZMVIFTLLD-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641282 447839224 /nfs/dbraw/zinc/83/92/24/447839224.db2.gz FHRYKYSZCJXGJA-QAPCUYQASA-N 2 0 343.512 1.830 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000569677282 447863753 /nfs/dbraw/zinc/86/37/53/447863753.db2.gz FBQZHXCHNZWNDD-DLBZAZTESA-N 2 0 338.496 1.130 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489527109 447862161 /nfs/dbraw/zinc/86/21/61/447862161.db2.gz GNSYIYDIWQVNKO-MRXNPFEDSA-N 2 0 326.485 1.082 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC2(CCO)CC[NH+](C)CC2)cc1 ZINC000569740308 447881635 /nfs/dbraw/zinc/88/16/35/447881635.db2.gz OOWKTTNFIYNPDH-UHFFFAOYSA-N 2 0 333.476 1.367 20 0 EDADRP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000523613719 447894300 /nfs/dbraw/zinc/89/43/00/447894300.db2.gz XMFXPIZSUHSMLU-QGZVFWFLSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000576038647 447955824 /nfs/dbraw/zinc/95/58/24/447955824.db2.gz GYACLNXMBYMUJO-BZUAXINKSA-N 2 0 325.497 1.756 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCO1 ZINC000569945829 447925176 /nfs/dbraw/zinc/92/51/76/447925176.db2.gz NZHDPQXPJCNPCH-SFHVURJKSA-N 2 0 346.475 1.542 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000524351479 447925805 /nfs/dbraw/zinc/92/58/05/447925805.db2.gz DBRNRPZHNRMAAW-WBVHZDCISA-N 2 0 330.476 1.893 20 0 EDADRP COc1ccc([C@H](C)CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000575916896 447926784 /nfs/dbraw/zinc/92/67/84/447926784.db2.gz BAOJLEITIYZBHU-AEFFLSMTSA-N 2 0 335.492 1.387 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570201809 447963816 /nfs/dbraw/zinc/96/38/16/447963816.db2.gz ITKXQNVNPBYQPJ-ZNMIVQPWSA-N 2 0 336.432 1.617 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](CC[NH3+])C(F)F)c2)CC1 ZINC000576111394 447975865 /nfs/dbraw/zinc/97/58/65/447975865.db2.gz XSFFEJSNWJQAPS-HNNXBMFYSA-N 2 0 340.418 1.146 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211273 447999242 /nfs/dbraw/zinc/99/92/42/447999242.db2.gz NSGBLBRUEDPUEC-NJAFHUGGSA-N 2 0 346.475 1.327 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000570641655 448041294 /nfs/dbraw/zinc/04/12/94/448041294.db2.gz WJCZLLBZKFTCPG-GOSISDBHSA-N 2 0 344.503 1.428 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000570668456 448045202 /nfs/dbraw/zinc/04/52/02/448045202.db2.gz XTEAZECFIIZAFX-LZQZEXGQSA-N 2 0 345.487 1.910 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000531286268 448053048 /nfs/dbraw/zinc/05/30/48/448053048.db2.gz SWZLRELACWUINA-PKOBYXMFSA-N 2 0 331.460 1.080 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000576516651 448072509 /nfs/dbraw/zinc/07/25/09/448072509.db2.gz NVCVEMOKDLOAJI-SFHVURJKSA-N 2 0 332.492 1.633 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000571146999 448109632 /nfs/dbraw/zinc/10/96/32/448109632.db2.gz PHOQTQSCRJQFQA-DZGCQCFKSA-N 2 0 334.468 1.789 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000576624943 448099514 /nfs/dbraw/zinc/09/95/14/448099514.db2.gz QRGMVQIATNTGEW-GOEBONIOSA-N 2 0 341.521 1.006 20 0 EDADRP CN(C(=O)/C=C\C[NH+](C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000491884698 448144144 /nfs/dbraw/zinc/14/41/44/448144144.db2.gz MXBXQVBHVPPNES-VURMDHGXSA-N 2 0 330.476 1.665 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCO)CC2 ZINC000571870833 448222125 /nfs/dbraw/zinc/22/21/25/448222125.db2.gz LAVQXFYOICNMLE-LSDHHAIUSA-N 2 0 348.491 1.601 20 0 EDADRP CC(C)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000532477372 448265070 /nfs/dbraw/zinc/26/50/70/448265070.db2.gz DMKGDUAMJZCSCO-KRWDZBQOSA-N 2 0 327.513 1.826 20 0 EDADRP C[C@@H]1CCn2ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2C1 ZINC000572245385 448325790 /nfs/dbraw/zinc/32/57/90/448325790.db2.gz XQGYKZOEETWYQA-MRXNPFEDSA-N 2 0 349.523 1.811 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000577486603 448309812 /nfs/dbraw/zinc/30/98/12/448309812.db2.gz DCPXKVHPYMWWEQ-MSOLQXFVSA-N 2 0 348.491 1.168 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000577486608 448310470 /nfs/dbraw/zinc/31/04/70/448310470.db2.gz DCPXKVHPYMWWEQ-ZWKOTPCHSA-N 2 0 348.491 1.168 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[N@@H+]2CCC(C)(C)C2)Cc2ccccc2C1 ZINC000515354776 448296911 /nfs/dbraw/zinc/29/69/11/448296911.db2.gz IVJVHUJAIVFHDY-UHFFFAOYSA-N 2 0 329.488 1.934 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000515788559 448350083 /nfs/dbraw/zinc/35/00/83/448350083.db2.gz KKSKYPLILVDUNF-MRXNPFEDSA-N 2 0 347.463 1.154 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572391246 448365715 /nfs/dbraw/zinc/36/57/15/448365715.db2.gz XVFWPTMUBPNWST-JQHSSLGASA-N 2 0 340.475 1.878 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)/C=C\C[NH+](C)C ZINC000492932416 448327455 /nfs/dbraw/zinc/32/74/55/448327455.db2.gz YKRHYJJSGJBMIE-YFHOEESVSA-N 2 0 344.503 1.380 20 0 EDADRP C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000572585289 448414356 /nfs/dbraw/zinc/41/43/56/448414356.db2.gz JDXLMCRTMPAOCL-UZLBHIALSA-N 2 0 347.503 1.716 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000582900099 448373342 /nfs/dbraw/zinc/37/33/42/448373342.db2.gz CNYAERJKEQGPIR-KLHKWILBSA-N 2 0 326.481 1.792 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]([NH3+])c3ccccc3)n2)CC1 ZINC000583740917 448461000 /nfs/dbraw/zinc/46/10/00/448461000.db2.gz FXKJFGOTZQQKLT-MRXNPFEDSA-N 2 0 342.447 1.971 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000572855362 448483029 /nfs/dbraw/zinc/48/30/29/448483029.db2.gz NWPXTGGAQIGMSM-KBAYOESNSA-N 2 0 346.475 1.185 20 0 EDADRP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000516921974 448496316 /nfs/dbraw/zinc/49/63/16/448496316.db2.gz APAMENCRWSETHX-DLBZAZTESA-N 2 0 337.533 1.674 20 0 EDADRP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000516921975 448496632 /nfs/dbraw/zinc/49/66/32/448496632.db2.gz APAMENCRWSETHX-IAGOWNOFSA-N 2 0 337.533 1.674 20 0 EDADRP Cc1ccc2nc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn2c1 ZINC000584381917 448502104 /nfs/dbraw/zinc/50/21/04/448502104.db2.gz TXSCXYCRHGYEME-UHFFFAOYSA-N 2 0 346.479 1.278 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)cc1 ZINC000573242994 448578895 /nfs/dbraw/zinc/57/88/95/448578895.db2.gz QFZQBVRXCRDAKN-MAUKXSAKSA-N 2 0 331.460 1.728 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000573236556 448577452 /nfs/dbraw/zinc/57/74/52/448577452.db2.gz DMCITBNUPQQHTQ-HZPDHXFCSA-N 2 0 338.496 1.591 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000518348935 448667238 /nfs/dbraw/zinc/66/72/38/448667238.db2.gz HBOAEZWAVMTBQW-QZTJIDSGSA-N 2 0 343.471 1.570 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000573600809 448668688 /nfs/dbraw/zinc/66/86/88/448668688.db2.gz CIXZBSGITDUHRS-GOSISDBHSA-N 2 0 346.519 1.856 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000518518011 448688040 /nfs/dbraw/zinc/68/80/40/448688040.db2.gz WCFOPGAEFRAKJA-OWSLCNJRSA-N 2 0 327.513 1.168 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CCN(C)c2cc[nH+]cc2)C1 ZINC000542787002 448719364 /nfs/dbraw/zinc/71/93/64/448719364.db2.gz UIPWDXFAWVCTIH-KRWDZBQOSA-N 2 0 334.464 1.381 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@H]2CC23CCSCC3)C[C@H](C)O1 ZINC000567378278 448680621 /nfs/dbraw/zinc/68/06/21/448680621.db2.gz VTDLXFHEBOJJSU-QKPAOTATSA-N 2 0 328.522 1.579 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)C2([NH3+])CCC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000567382469 448682003 /nfs/dbraw/zinc/68/20/03/448682003.db2.gz GNRDTJZYKIJYON-MRXNPFEDSA-N 2 0 344.459 1.673 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000573981788 448763892 /nfs/dbraw/zinc/76/38/92/448763892.db2.gz XDQLLAIYCYPWAT-WRWGMCAJSA-N 2 0 325.482 1.923 20 0 EDADRP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567638776 448727754 /nfs/dbraw/zinc/72/77/54/448727754.db2.gz BUESERDYTAATMI-LLVKDONJSA-N 2 0 330.259 1.946 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000579211938 448740334 /nfs/dbraw/zinc/74/03/34/448740334.db2.gz BPMFTVBQLMYXKV-DLBZAZTESA-N 2 0 342.443 1.014 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000574159795 448805939 /nfs/dbraw/zinc/80/59/39/448805939.db2.gz KIEZEBWPOMMQEI-AEFFLSMTSA-N 2 0 339.443 1.506 20 0 EDADRP Cn1ccnc1C[N@H+](C[C@@H]1CCCC[C@H]1O)[C@H]1CC12CC[NH2+]CC2 ZINC000579483664 448807367 /nfs/dbraw/zinc/80/73/67/448807367.db2.gz ZTXZGKXGMMDNQK-BBWFWOEESA-N 2 0 332.492 1.915 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529295711 448811501 /nfs/dbraw/zinc/81/15/01/448811501.db2.gz AFSCTCDTNJQLHV-PVAVHDDUSA-N 2 0 332.448 1.110 20 0 EDADRP C[C@@H](O)C[N@@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000579593349 448831029 /nfs/dbraw/zinc/83/10/29/448831029.db2.gz DMCMYZBJYGKGTN-UXPWSPDFSA-N 2 0 328.456 1.800 20 0 EDADRP C[NH+]1CCCN(Cc2ccccc2CN2CCC[N@@H+](C)CC2)CC1 ZINC000579684350 448850435 /nfs/dbraw/zinc/85/04/35/448850435.db2.gz ITDZNVRVVSTGKG-UHFFFAOYSA-N 2 0 330.520 1.962 20 0 EDADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492900 448862009 /nfs/dbraw/zinc/86/20/09/448862009.db2.gz GTHUKARLXPOQLA-QLFBSQMISA-N 2 0 338.496 1.711 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC[C@@H]21 ZINC000592564092 448902836 /nfs/dbraw/zinc/90/28/36/448902836.db2.gz FJDSSEQUGFBDNX-LZWOXQAQSA-N 2 0 331.464 1.276 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000574647788 448924641 /nfs/dbraw/zinc/92/46/41/448924641.db2.gz YSQRUDCRLSYXEF-SOLBZPMBSA-N 2 0 327.513 1.168 20 0 EDADRP COCC1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC[NH2+]CC1 ZINC000579830310 448889668 /nfs/dbraw/zinc/88/96/68/448889668.db2.gz WQZKGJWAJQYDMN-QGZVFWFLSA-N 2 0 346.475 1.270 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC4(CC[NH2+]CC4)CC3)c21 ZINC000592544663 448890079 /nfs/dbraw/zinc/89/00/79/448890079.db2.gz FVPSETIMBNGRSP-AWEZNQCLSA-N 2 0 331.464 1.325 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000529545929 448893337 /nfs/dbraw/zinc/89/33/37/448893337.db2.gz RBIGSCOQIINGRG-UHFFFAOYSA-N 2 0 336.455 1.937 20 0 EDADRP CN(C)[C@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804115 448959826 /nfs/dbraw/zinc/95/98/26/448959826.db2.gz XUPNSSNRYSJWIW-RHSMWYFYSA-N 2 0 325.884 1.987 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000574809662 448961618 /nfs/dbraw/zinc/96/16/18/448961618.db2.gz PQUQBVKTXBJPLT-KZNAEPCWSA-N 2 0 331.460 1.301 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569103474 448962422 /nfs/dbraw/zinc/96/24/22/448962422.db2.gz INKYSFRAOCEDFX-ZOBUZTSGSA-N 2 0 346.475 1.009 20 0 EDADRP CC(C)COC[C@@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000569212734 448980723 /nfs/dbraw/zinc/98/07/23/448980723.db2.gz KVSRAHISNZHDRX-FQEVSTJZSA-N 2 0 349.519 1.557 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000521010139 448945397 /nfs/dbraw/zinc/94/53/97/448945397.db2.gz OETARMFNJDRFII-MRXNPFEDSA-N 2 0 340.512 1.199 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000521582884 448997017 /nfs/dbraw/zinc/99/70/17/448997017.db2.gz UYTODCGCPAZHSX-OALUTQOASA-N 2 0 341.459 1.986 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592956789 449078606 /nfs/dbraw/zinc/07/86/06/449078606.db2.gz LQONOWFDEWALIO-AWEZNQCLSA-N 2 0 333.480 1.569 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592958518 449081831 /nfs/dbraw/zinc/08/18/31/449081831.db2.gz ZVEORKAOAJGQTO-XHSDSOJGSA-N 2 0 347.507 1.817 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000522002471 449038991 /nfs/dbraw/zinc/03/89/91/449038991.db2.gz WUDAULYLIXFWPU-LBPRGKRZSA-N 2 0 344.394 1.067 20 0 EDADRP COC(=O)CN1CCC[C@@H](CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000575121441 449040411 /nfs/dbraw/zinc/04/04/11/449040411.db2.gz PWIFYEFBCCBIGA-HOCLYGCPSA-N 2 0 333.432 1.078 20 0 EDADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000522059892 449048018 /nfs/dbraw/zinc/04/80/18/449048018.db2.gz BMAZZAPWZYCERY-QUCCMNQESA-N 2 0 344.503 1.832 20 0 EDADRP C[N@H+](CCC(=O)NCCC[NH+]1CCC[C@@H]1C(N)=O)C1CCCCC1 ZINC000548717013 449088958 /nfs/dbraw/zinc/08/89/58/449088958.db2.gz BAUQILRPJXLESP-MRXNPFEDSA-N 2 0 338.496 1.097 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000601828434 449172087 /nfs/dbraw/zinc/17/20/87/449172087.db2.gz JTHZNMLIGFODMZ-HNNXBMFYSA-N 2 0 325.522 1.806 20 0 EDADRP CCOC(=O)c1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000590645339 449232038 /nfs/dbraw/zinc/23/20/38/449232038.db2.gz SRBBGYMEGJVDPI-OAHLLOKOSA-N 2 0 348.491 1.758 20 0 EDADRP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595891516 449236460 /nfs/dbraw/zinc/23/64/60/449236460.db2.gz INTOMHQTRJKLLH-IKGGRYGDSA-N 2 0 336.476 1.951 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C2)CC1 ZINC000601975432 449256862 /nfs/dbraw/zinc/25/68/62/449256862.db2.gz PEKXAAVLADFQSR-SCTDSRPQSA-N 2 0 334.508 1.003 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945827 449271734 /nfs/dbraw/zinc/27/17/34/449271734.db2.gz OOJICILKVAUYLT-IRXDYDNUSA-N 2 0 347.459 1.042 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CC[N@@H+](C4CCCCC4)C3)c21 ZINC000595966565 449288167 /nfs/dbraw/zinc/28/81/67/449288167.db2.gz QIHAHGQWSFAOIP-LSDHHAIUSA-N 2 0 345.491 1.856 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC[NH2+]CC1 ZINC000602022075 449281099 /nfs/dbraw/zinc/28/10/99/449281099.db2.gz TYNRNUNVNAALAF-GJZGRUSLSA-N 3 0 325.497 1.676 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113490 449465556 /nfs/dbraw/zinc/46/55/56/449465556.db2.gz JTGUMQWFVXMMEI-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000614125132 449470565 /nfs/dbraw/zinc/47/05/65/449470565.db2.gz SNDXEYCRCSOVNY-SLFFLAALSA-N 2 0 341.499 1.961 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCC2)CC1 ZINC000594738067 449658578 /nfs/dbraw/zinc/65/85/78/449658578.db2.gz DPZLZNDSNUVHFR-CQSZACIVSA-N 2 0 339.480 1.428 20 0 EDADRP COC(=O)c1[nH]c(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000602581016 449684864 /nfs/dbraw/zinc/68/48/64/449684864.db2.gz SSIGZXGCWFSQFW-UHFFFAOYSA-N 2 0 343.431 1.869 20 0 EDADRP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000595010900 449840814 /nfs/dbraw/zinc/84/08/14/449840814.db2.gz JSTHPZGLXWGQEC-MRXNPFEDSA-N 2 0 327.513 1.972 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)n[nH]1 ZINC000608692779 449910787 /nfs/dbraw/zinc/91/07/87/449910787.db2.gz SBGMHBJFNUPASW-MRXNPFEDSA-N 2 0 336.484 1.276 20 0 EDADRP C[C@]1(NC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000612878732 449922477 /nfs/dbraw/zinc/92/24/77/449922477.db2.gz MHKLROCHXLNYQS-IBGZPJMESA-N 2 0 346.475 1.195 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000612977477 449967415 /nfs/dbraw/zinc/96/74/15/449967415.db2.gz ZIEBWVAELPBQDI-BHYGNILZSA-N 2 0 332.492 1.787 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2)CCC(F)(F)F ZINC000612982759 449970390 /nfs/dbraw/zinc/97/03/90/449970390.db2.gz BVQKROJPJYPEAO-GFCCVEGCSA-N 2 0 336.402 1.702 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000609337930 450013078 /nfs/dbraw/zinc/01/30/78/450013078.db2.gz GOFGPPHXBXMFEG-SJORKVTESA-N 2 0 331.460 1.538 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@H]2[C@H]2CCC[N@@H+]2C)cn1 ZINC000615268172 450030140 /nfs/dbraw/zinc/03/01/40/450030140.db2.gz UHYDVNYLWHNZJZ-SJORKVTESA-N 2 0 332.448 1.078 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000625943482 450539323 /nfs/dbraw/zinc/53/93/23/450539323.db2.gz HLMSROOOXGFUOC-INIZCTEOSA-N 2 0 330.432 1.774 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000623662804 450562153 /nfs/dbraw/zinc/56/21/53/450562153.db2.gz LLTRFMCHLRXCPR-JOCQHMNTSA-N 2 0 336.867 1.445 20 0 EDADRP CC[N@H+](CCCS(=O)(=O)NC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062048 450565878 /nfs/dbraw/zinc/56/58/78/450565878.db2.gz DQDRNRUEATXNIF-UHFFFAOYSA-N 2 0 327.494 1.509 20 0 EDADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)CN1CCOCC1 ZINC000626062257 450565986 /nfs/dbraw/zinc/56/59/86/450565986.db2.gz MVJBLQNORHCPEW-LJQANCHMSA-N 2 0 335.492 1.263 20 0 EDADRP NC(=O)C[C@@H]1CN(Cc2cccc(C[NH+]3CCCCC3)c2)CCO1 ZINC000626076777 450569289 /nfs/dbraw/zinc/56/92/89/450569289.db2.gz VRJUMKBPRAHCIF-GOSISDBHSA-N 2 0 331.460 1.749 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CCSC1 ZINC000623708268 450569418 /nfs/dbraw/zinc/56/94/18/450569418.db2.gz BIEATFGDUQCPBO-RDJZCZTQSA-N 2 0 340.537 1.740 20 0 EDADRP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635069738 450621065 /nfs/dbraw/zinc/62/10/65/450621065.db2.gz QXHUITIMPILUTN-PKOBYXMFSA-N 2 0 331.460 1.203 20 0 EDADRP [NH3+]CCCOCC[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000629397835 450648765 /nfs/dbraw/zinc/64/87/65/450648765.db2.gz DNYVBKOIFATTNS-UHFFFAOYSA-N 2 0 332.404 1.303 20 0 EDADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624085842 450700906 /nfs/dbraw/zinc/70/09/06/450700906.db2.gz FXGYXJAIJKEBRI-KDOFPFPSSA-N 2 0 343.475 1.813 20 0 EDADRP C[N@H+](CCOCC[NH3+])[C@H]1CCCN(Cc2ccc(F)cc2F)C1=O ZINC000629578925 450745952 /nfs/dbraw/zinc/74/59/52/450745952.db2.gz XYQNUSBGZUMSLM-INIZCTEOSA-N 2 0 341.402 1.363 20 0 EDADRP C[NH+]1CC[C@@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)C2)C1 ZINC000627505067 450781685 /nfs/dbraw/zinc/78/16/85/450781685.db2.gz UYKMGDQZWORALH-NLWGTHIKSA-N 2 0 327.472 1.886 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000631810466 450789599 /nfs/dbraw/zinc/78/95/99/450789599.db2.gz TZINVTFJUGYJFJ-CEXWTWQISA-N 2 0 345.487 1.252 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1conc1C ZINC000631869666 450837372 /nfs/dbraw/zinc/83/73/72/450837372.db2.gz QEZSULFLBQIDCY-AWEZNQCLSA-N 2 0 344.481 1.020 20 0 EDADRP C[N@H+](CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CCC1 ZINC000629979142 450929975 /nfs/dbraw/zinc/92/99/75/450929975.db2.gz ONFOJMZFDUNIQT-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[N@H+](CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000630008557 450948816 /nfs/dbraw/zinc/94/88/16/450948816.db2.gz VLBACSZUOZQOFF-UHFFFAOYSA-N 2 0 345.487 1.614 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635448099 450948987 /nfs/dbraw/zinc/94/89/87/450948987.db2.gz CLEVNQKPBOGPAR-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)CC1(O)CCOCC1 ZINC000630044643 450979307 /nfs/dbraw/zinc/97/93/07/450979307.db2.gz YIOLIWLJTQIXDE-BPQIPLTHSA-N 2 0 338.492 1.228 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[C@@H](C)[NH2+]C3)c2C1 ZINC000626888230 450985145 /nfs/dbraw/zinc/98/51/45/450985145.db2.gz JRFIJMQFQBPKHJ-HIFRSBDPSA-N 2 0 344.459 1.607 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1C[NH+](C)C ZINC000626892885 450989691 /nfs/dbraw/zinc/98/96/91/450989691.db2.gz IXLUXUDMKHGKCY-CJNGLKHVSA-N 2 0 332.448 1.252 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000626922244 451006573 /nfs/dbraw/zinc/00/65/73/451006573.db2.gz RXPTZJUBGFCGTQ-OAHLLOKOSA-N 2 0 326.416 1.045 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000626929412 451012907 /nfs/dbraw/zinc/01/29/07/451012907.db2.gz MPZOWEUTPWLIIM-NUEKZKHPSA-N 2 0 326.485 1.173 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000626934352 451016237 /nfs/dbraw/zinc/01/62/37/451016237.db2.gz FEDAJHRYILMDIF-UHFFFAOYSA-N 2 0 348.491 1.312 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000626934509 451016963 /nfs/dbraw/zinc/01/69/63/451016963.db2.gz GXKRJDLVDWWCAH-IYBDPMFKSA-N 2 0 328.501 1.232 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626947446 451026625 /nfs/dbraw/zinc/02/66/25/451026625.db2.gz BLZZAZZBVSNKDA-KFWWJZLASA-N 2 0 326.485 1.160 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000626953621 451030981 /nfs/dbraw/zinc/03/09/81/451030981.db2.gz XQNDPGDWMHDXDR-INIZCTEOSA-N 2 0 348.491 1.311 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626976712 451046018 /nfs/dbraw/zinc/04/60/18/451046018.db2.gz NFMRTTIGTLLBCE-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CC1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000635560986 451059562 /nfs/dbraw/zinc/05/95/62/451059562.db2.gz APLVSDJOBNMIOR-UHFFFAOYSA-N 2 0 345.487 1.601 20 0 EDADRP CCN(CC[NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000626994566 451061387 /nfs/dbraw/zinc/06/13/87/451061387.db2.gz FCEAUGSYSDAPLL-UHFFFAOYSA-N 2 0 334.464 1.134 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCC[NH2+]C(C)C)CC1 ZINC000627070766 451111712 /nfs/dbraw/zinc/11/17/12/451111712.db2.gz GVSKGFOPFRPGJM-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627072054 451111873 /nfs/dbraw/zinc/11/18/73/451111873.db2.gz YDDQMXAJUFHOKZ-SJORKVTESA-N 2 0 334.464 1.176 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627082372 451116120 /nfs/dbraw/zinc/11/61/20/451116120.db2.gz CELOIQJBCJCYEU-QGZVFWFLSA-N 2 0 330.432 1.375 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000627099778 451122723 /nfs/dbraw/zinc/12/27/23/451122723.db2.gz XFORFFZSFYXFCH-HUHSQHJXSA-N 2 0 348.466 1.959 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000627102561 451123956 /nfs/dbraw/zinc/12/39/56/451123956.db2.gz ONSQNWOSRHIRAP-HZPDHXFCSA-N 2 0 338.496 1.400 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627127053 451140290 /nfs/dbraw/zinc/14/02/90/451140290.db2.gz ROEKVDNASJMLGT-HOTGVXAUSA-N 2 0 336.480 1.071 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NS(=O)(=O)CCC[NH+](C)C)[NH+](C)C ZINC000632266363 451156276 /nfs/dbraw/zinc/15/62/76/451156276.db2.gz VLAIFQUGXIZXRM-NVXWUHKLSA-N 2 0 341.521 1.857 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000627166514 451160061 /nfs/dbraw/zinc/16/00/61/451160061.db2.gz XRQPFFMVNYTWRT-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627198608 451182402 /nfs/dbraw/zinc/18/24/02/451182402.db2.gz MSKMNVSMQTVYRJ-SZVBFZGTSA-N 2 0 346.475 1.063 20 0 EDADRP C[C@H]1CCN(C(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627214342 451191585 /nfs/dbraw/zinc/19/15/85/451191585.db2.gz JJVICGNJDKEYOI-KRWDZBQOSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632331326 451202839 /nfs/dbraw/zinc/20/28/39/451202839.db2.gz KDUVDJWALUIFAN-JKSUJKDBSA-N 2 0 329.510 1.361 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000632369485 451231253 /nfs/dbraw/zinc/23/12/53/451231253.db2.gz OXMPJUXHETXBGU-CZUORRHYSA-N 2 0 325.478 1.461 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCCOC1 ZINC000638085523 451250281 /nfs/dbraw/zinc/25/02/81/451250281.db2.gz MEVRWJHNXTYNPW-UYAOXDASSA-N 2 0 345.487 1.423 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638090219 451255842 /nfs/dbraw/zinc/25/58/42/451255842.db2.gz CIAKSVOYXSMNAC-UHFFFAOYSA-N 2 0 331.464 1.036 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638102407 451269228 /nfs/dbraw/zinc/26/92/28/451269228.db2.gz UMMUYFNHJMOWCY-CQSZACIVSA-N 2 0 339.443 1.891 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000638118997 451287099 /nfs/dbraw/zinc/28/70/99/451287099.db2.gz GLFDFKWKXHSXCQ-KDOFPFPSSA-N 2 0 347.459 1.312 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638104430 451272267 /nfs/dbraw/zinc/27/22/67/451272267.db2.gz ZQCGKEXMFRPGGM-YOEHRIQHSA-N 2 0 339.443 1.718 20 0 EDADRP COC[C@@]1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCCC[NH2+]1 ZINC000638108417 451276949 /nfs/dbraw/zinc/27/69/49/451276949.db2.gz MALGMHXBLUNIDE-GOSISDBHSA-N 2 0 341.496 1.151 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117568 451284442 /nfs/dbraw/zinc/28/44/42/451284442.db2.gz MLJHHHGRMQGGKX-ICSRJNTNSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@H](CCNC(=O)c1cnc(C[NH3+])nc1)[N@H+](C)Cc1ccccc1 ZINC000638130524 451301546 /nfs/dbraw/zinc/30/15/46/451301546.db2.gz HEHYHYBVDZJQAM-CQSZACIVSA-N 2 0 327.432 1.576 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000638130984 451301765 /nfs/dbraw/zinc/30/17/65/451301765.db2.gz NPMZLTACENKLHG-IMFGXOCKSA-N 2 0 345.487 1.876 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000638130987 451302024 /nfs/dbraw/zinc/30/20/24/451302024.db2.gz NPMZLTACENKLHG-XKGZKEIXSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638144693 451318330 /nfs/dbraw/zinc/31/83/30/451318330.db2.gz GQPVQHRHJAUZKM-KFKAGJAMSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000638154628 451326060 /nfs/dbraw/zinc/32/60/60/451326060.db2.gz CKFFQRVSUHKSEU-TZMCWYRMSA-N 2 0 345.447 1.113 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc(OCC[NH3+])cc2)c1 ZINC000638160686 451328719 /nfs/dbraw/zinc/32/87/19/451328719.db2.gz JBLNMEPETOCUQY-KRWDZBQOSA-N 2 0 329.400 1.541 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cc2)[nH]1 ZINC000638201073 451352675 /nfs/dbraw/zinc/35/26/75/451352675.db2.gz ARSHDBGHVZBEIB-UHFFFAOYSA-N 2 0 340.431 1.745 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636657963 451389474 /nfs/dbraw/zinc/38/94/74/451389474.db2.gz KWSBFBQJJZUCFL-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP O=C(N1CCC[C@@H]([NH+]2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635896771 451341596 /nfs/dbraw/zinc/34/15/96/451341596.db2.gz VHIJPNOXZFCLFU-QGZVFWFLSA-N 2 0 335.492 1.576 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)c1 ZINC000638274352 451393846 /nfs/dbraw/zinc/39/38/46/451393846.db2.gz FMFRWOVPWVUSBC-RDTXWAMCSA-N 2 0 333.476 1.754 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)cn1 ZINC000630792809 451406011 /nfs/dbraw/zinc/40/60/11/451406011.db2.gz YPAKLZVJDDLCEU-GOSISDBHSA-N 2 0 343.475 1.347 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000638347490 451450515 /nfs/dbraw/zinc/45/05/15/451450515.db2.gz STGZRVDQJGRTPY-IAGOWNOFSA-N 2 0 335.492 1.607 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)[NH+](C)C ZINC000636073102 451488394 /nfs/dbraw/zinc/48/83/94/451488394.db2.gz IGODEPWFMCUPSY-QRFRQXIXSA-N 2 0 345.487 1.591 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000638339400 451444029 /nfs/dbraw/zinc/44/40/29/451444029.db2.gz GKZPNCUBKSECMY-SJORKVTESA-N 2 0 335.492 1.607 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000638412046 451498601 /nfs/dbraw/zinc/49/86/01/451498601.db2.gz MSYRZJICDVGUON-WBAXXEDZSA-N 2 0 331.460 1.599 20 0 EDADRP CC[C@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@@H](O)C(F)F ZINC000634722567 451502726 /nfs/dbraw/zinc/50/27/26/451502726.db2.gz RDIKJPLLCWDRHU-UXLLHSPISA-N 2 0 328.403 1.618 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000638421242 451505197 /nfs/dbraw/zinc/50/51/97/451505197.db2.gz SFIQYGQRCNQCES-CRAIPNDOSA-N 2 0 333.476 1.802 20 0 EDADRP COCCn1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)cn1 ZINC000630961747 451509868 /nfs/dbraw/zinc/50/98/68/451509868.db2.gz SPYJKFXHDBJHAV-UHFFFAOYSA-N 2 0 330.436 1.288 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CC[NH2+]C34CCC4)c2)CC1 ZINC000638504536 451548902 /nfs/dbraw/zinc/54/89/02/451548902.db2.gz GJRDTCLIRUGOCI-GOSISDBHSA-N 2 0 342.487 1.448 20 0 EDADRP O=c1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c[nH]1 ZINC000631034799 451543868 /nfs/dbraw/zinc/54/38/68/451543868.db2.gz CJQKWJOJCYZEDE-UHFFFAOYSA-N 2 0 326.444 1.695 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccncc2Br)CC1 ZINC000631039144 451545687 /nfs/dbraw/zinc/54/56/87/451545687.db2.gz SAFWERSWZOHYOH-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccc(CO)cc2)c1 ZINC000638514276 451554140 /nfs/dbraw/zinc/55/41/40/451554140.db2.gz RWPSMLMUIBJFMD-UHFFFAOYSA-N 2 0 341.455 1.760 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000638526778 451558524 /nfs/dbraw/zinc/55/85/24/451558524.db2.gz PSRSZZIUAYSIOF-SJORKVTESA-N 2 0 344.459 1.447 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638546668 451571057 /nfs/dbraw/zinc/57/10/57/451571057.db2.gz GGKCHCFYSNTOTN-IHRRRGAJSA-N 2 0 329.366 1.715 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](OC)C2CCOCC2)CC1 ZINC000638551477 451572983 /nfs/dbraw/zinc/57/29/83/451572983.db2.gz KZDIHJIPWXIJOD-AEFFLSMTSA-N 2 0 327.513 1.291 20 0 EDADRP C[NH2+]CCOCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000638577511 451586035 /nfs/dbraw/zinc/58/60/35/451586035.db2.gz PSDFIGIDKWHPLY-UHFFFAOYSA-N 2 0 333.476 1.641 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000636239469 451611162 /nfs/dbraw/zinc/61/11/62/451611162.db2.gz IDOPKGOXBMKGQX-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP CC[C@@](C)([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836461 451621270 /nfs/dbraw/zinc/62/12/70/451621270.db2.gz FDWRIOPHIRDSGE-MAUKXSAKSA-N 2 0 344.463 1.281 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000636252654 451622734 /nfs/dbraw/zinc/62/27/34/451622734.db2.gz CCJBFRAKDQLZQP-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP O=C1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCN1 ZINC000634960201 451625634 /nfs/dbraw/zinc/62/56/34/451625634.db2.gz LQTOEDHHRBAUOR-KRWDZBQOSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC000638644651 451627948 /nfs/dbraw/zinc/62/79/48/451627948.db2.gz RKJSOEOQAVMGQP-YVLXSGLVSA-N 2 0 340.265 1.880 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672245 451643435 /nfs/dbraw/zinc/64/34/35/451643435.db2.gz CCXFQPPTFQBWAH-UHFFFAOYSA-N 2 0 337.423 1.996 20 0 EDADRP COc1ncc(CNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000638678364 451646816 /nfs/dbraw/zinc/64/68/16/451646816.db2.gz NCMHAHQLTMJVHE-QGZVFWFLSA-N 2 0 333.457 1.878 20 0 EDADRP CO[C@@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000638694008 451657279 /nfs/dbraw/zinc/65/72/79/451657279.db2.gz YPZUCWARSSPBSX-MSOLQXFVSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638784786 451690834 /nfs/dbraw/zinc/69/08/34/451690834.db2.gz WNIRBVSQWOHWOR-IEBWSBKVSA-N 2 0 331.460 1.478 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCC1(F)F ZINC000638803818 451695351 /nfs/dbraw/zinc/69/53/51/451695351.db2.gz PJRAHJFQXIPNOJ-HZPDHXFCSA-N 2 0 337.414 1.870 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000638847095 451709123 /nfs/dbraw/zinc/70/91/23/451709123.db2.gz KUCUQSIRGIGRFZ-SFHVURJKSA-N 2 0 325.412 1.657 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000638727724 451667953 /nfs/dbraw/zinc/66/79/53/451667953.db2.gz JPEHMZORQZPOTL-LJQANCHMSA-N 2 0 345.487 1.964 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000641044516 451740163 /nfs/dbraw/zinc/74/01/63/451740163.db2.gz XETYRMBYIOODGL-CEXWTWQISA-N 2 0 342.487 1.902 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)c1 ZINC000638977117 451744139 /nfs/dbraw/zinc/74/41/39/451744139.db2.gz IPBIJKZDZJFOKA-KRWDZBQOSA-N 2 0 343.431 1.797 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)CC1 ZINC000639190570 451789032 /nfs/dbraw/zinc/78/90/32/451789032.db2.gz NTEDPUCPXZLFBI-ICSRJNTNSA-N 2 0 332.488 1.978 20 0 EDADRP CO[C@@]1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000639267358 451801934 /nfs/dbraw/zinc/80/19/34/451801934.db2.gz YOGBRHFVLWJGNL-LJQANCHMSA-N 2 0 334.460 1.409 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000653343614 451856644 /nfs/dbraw/zinc/85/66/44/451856644.db2.gz SIVQCGNZHXPCON-UHFFFAOYSA-N 2 0 331.464 1.788 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CCO)(CCO)CC1 ZINC000639378947 451857894 /nfs/dbraw/zinc/85/78/94/451857894.db2.gz QHSJTUWKCJQRQI-UHFFFAOYSA-N 2 0 344.459 1.923 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653348826 451860410 /nfs/dbraw/zinc/86/04/10/451860410.db2.gz TYRAZIRCBDYUFR-MLHJIOFPSA-N 2 0 337.508 1.996 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000653369477 451881613 /nfs/dbraw/zinc/88/16/13/451881613.db2.gz RYIBIMIDKRTOLR-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)CC(C)C ZINC000642531638 451887811 /nfs/dbraw/zinc/88/78/11/451887811.db2.gz NGMMAVDWHOQTTE-HZPDHXFCSA-N 2 0 340.512 1.117 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[NH+]1CCCC1 ZINC000649278000 451948814 /nfs/dbraw/zinc/94/88/14/451948814.db2.gz CAFRUWAWNONNRO-WBVHZDCISA-N 2 0 347.459 1.184 20 0 EDADRP Cn1cncc1CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639501516 451907445 /nfs/dbraw/zinc/90/74/45/451907445.db2.gz SOYNGPDXLSCNPY-UHFFFAOYSA-N 2 0 349.523 1.379 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649272135 451944290 /nfs/dbraw/zinc/94/42/90/451944290.db2.gz HOOWGKKHEQHKJZ-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000649272876 451944388 /nfs/dbraw/zinc/94/43/88/451944388.db2.gz LXNGEQWDUSUJIU-RYQLBKOJSA-N 2 0 341.459 1.045 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC(C)(C)[NH3+])cc1 ZINC000649276562 451948160 /nfs/dbraw/zinc/94/81/60/451948160.db2.gz MAFCWODUDQTMDH-UHFFFAOYSA-N 2 0 334.464 1.824 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)CC[N@H+](C)C1)Cc1ccccc1 ZINC000649292625 451969032 /nfs/dbraw/zinc/96/90/32/451969032.db2.gz UFAITNCIPJBGII-HKUYNNGSSA-N 2 0 332.492 1.089 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)([NH+](C)C)C1 ZINC000649304889 451981439 /nfs/dbraw/zinc/98/14/39/451981439.db2.gz LRZCUAHPTCKPPR-CKEIUWERSA-N 2 0 334.468 1.053 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cnn1C ZINC000649310408 451988082 /nfs/dbraw/zinc/98/80/82/451988082.db2.gz DLVWIVJHEAXZQE-NXHRZFHOSA-N 2 0 347.507 1.268 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000637657725 452001914 /nfs/dbraw/zinc/00/19/14/452001914.db2.gz XUBSKFSANRGNQZ-QBPKDAKJSA-N 2 0 340.512 1.610 20 0 EDADRP COc1cc(OC)c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1F ZINC000651674443 452005763 /nfs/dbraw/zinc/00/57/63/452005763.db2.gz PCXZVYIEYRGCSA-UHFFFAOYSA-N 2 0 339.455 1.959 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@]2(N)CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331705 452013699 /nfs/dbraw/zinc/01/36/99/452013699.db2.gz PFJVYVHJKMJRRW-OXJNMPFZSA-N 2 0 344.503 1.799 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@H](C)C1 ZINC000649334407 452015050 /nfs/dbraw/zinc/01/50/50/452015050.db2.gz DKZZZQKLWKZOKG-KFWWJZLASA-N 2 0 347.450 1.484 20 0 EDADRP Cc1ccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c(C[NH+](C)C)c1 ZINC000649334914 452016178 /nfs/dbraw/zinc/01/61/78/452016178.db2.gz WJUACPWSWPZEBG-CQSZACIVSA-N 2 0 328.420 1.435 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]([NH3+])C1CCC1 ZINC000649353583 452036526 /nfs/dbraw/zinc/03/65/26/452036526.db2.gz OESVVJGIHSNHPC-GOSISDBHSA-N 2 0 346.475 1.903 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2(OC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000649381282 452053981 /nfs/dbraw/zinc/05/39/81/452053981.db2.gz YQJCGSOVFAMDBB-JKSUJKDBSA-N 2 0 341.496 1.008 20 0 EDADRP C[N@H+](CCN1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccccc1 ZINC000649382095 452054896 /nfs/dbraw/zinc/05/48/96/452054896.db2.gz GWUJGVHDTNAVRG-HXUWFJFHSA-N 2 0 330.520 1.830 20 0 EDADRP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000649418234 452080267 /nfs/dbraw/zinc/08/02/67/452080267.db2.gz LOUAHAZKPDKDHI-ZACQAIPSSA-N 2 0 345.491 1.545 20 0 EDADRP Cc1cc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc(C)n1 ZINC000643231565 452084864 /nfs/dbraw/zinc/08/48/64/452084864.db2.gz BQDQZSIRDUDRPB-KRWDZBQOSA-N 3 0 345.491 1.666 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760000 452098545 /nfs/dbraw/zinc/09/85/45/452098545.db2.gz PNHDYHYKPAFMFV-GOSISDBHSA-N 2 0 348.487 1.990 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762176 452101199 /nfs/dbraw/zinc/10/11/99/452101199.db2.gz HHJGBFNZEOARDP-APWZRJJASA-N 2 0 339.524 1.660 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000649488658 452108529 /nfs/dbraw/zinc/10/85/29/452108529.db2.gz UZBGGKYBRATTIY-QYZOEREBSA-N 2 0 333.476 1.105 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cn1 ZINC000647180167 452109333 /nfs/dbraw/zinc/10/93/33/452109333.db2.gz JOBCZCHTDTVSJQ-QGZVFWFLSA-N 2 0 327.476 1.906 20 0 EDADRP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)[C@H]1CC[NH2+]C1 ZINC000637837540 452109982 /nfs/dbraw/zinc/10/99/82/452109982.db2.gz IKBYTQBPUYAJII-BJLQDIEVSA-N 2 0 343.471 1.345 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000637855064 452115659 /nfs/dbraw/zinc/11/56/59/452115659.db2.gz JLQAICUNZMVHLX-UHFFFAOYSA-N 2 0 325.497 1.773 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000637865319 452121424 /nfs/dbraw/zinc/12/14/24/452121424.db2.gz XQCJBAYBDJDWGO-UHFFFAOYSA-N 2 0 331.460 1.231 20 0 EDADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CC[C@H]1C(=O)NCC[NH2+]C(C)(C)C ZINC000639798809 452135438 /nfs/dbraw/zinc/13/54/38/452135438.db2.gz OBPQGWJDRSNTQY-ZIAGYGMSSA-N 2 0 340.512 1.021 20 0 EDADRP CCC[N@@H+]1CC[C@H](NS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641617081 452136981 /nfs/dbraw/zinc/13/69/81/452136981.db2.gz ZLXRGTHJVIHRCM-HNNXBMFYSA-N 2 0 337.489 1.437 20 0 EDADRP COC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651950731 452187443 /nfs/dbraw/zinc/18/74/43/452187443.db2.gz PBKDXRORFKTCSK-QZTJIDSGSA-N 2 0 334.460 1.743 20 0 EDADRP CCCN(C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645213470 452214826 /nfs/dbraw/zinc/21/48/26/452214826.db2.gz RFJDWAQSAJXOPS-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]CCOCC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000645242880 452232458 /nfs/dbraw/zinc/23/24/58/452232458.db2.gz VSYUMPFTDKWLFM-UHFFFAOYSA-N 2 0 325.840 1.396 20 0 EDADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000643466986 452236534 /nfs/dbraw/zinc/23/65/34/452236534.db2.gz FHGLXMWBAREWMR-SOUVJXGZSA-N 2 0 325.840 1.861 20 0 EDADRP C[NH+](C)[C@H](CNc1cnc(NC[C@H](C2CC2)[NH+](C)C)cn1)C1CC1 ZINC000663547625 452253570 /nfs/dbraw/zinc/25/35/70/452253570.db2.gz IHQCYLXMCIRVKS-HZPDHXFCSA-N 2 0 332.496 1.981 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000643489390 452257953 /nfs/dbraw/zinc/25/79/53/452257953.db2.gz OFXSPRZFJLIYGF-ZOBUZTSGSA-N 2 0 337.489 1.427 20 0 EDADRP O[C@@H]1[C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC12CCOCC2 ZINC000657463938 452264334 /nfs/dbraw/zinc/26/43/34/452264334.db2.gz OLFXWCAVJHREJH-MAUKXSAKSA-N 2 0 342.443 1.925 20 0 EDADRP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+]CC2C[NH2+]C2)C1 ZINC000643516160 452280394 /nfs/dbraw/zinc/28/03/94/452280394.db2.gz VAVAYFZCJQJREB-GJZGRUSLSA-N 2 0 327.428 1.793 20 0 EDADRP C[C@H]([NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C(C)(C)n1cncn1 ZINC000638035309 452291267 /nfs/dbraw/zinc/29/12/67/452291267.db2.gz RPWMNYCLARLTRR-DLBZAZTESA-N 2 0 334.512 1.504 20 0 EDADRP C[C@@H]1CC[C@H](C[NH3+])N(Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000641810485 452291807 /nfs/dbraw/zinc/29/18/07/452291807.db2.gz XLWXGYVVRSXBCN-IIAWOOMASA-N 2 0 339.505 1.885 20 0 EDADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)C(=O)NCCC(C)(C)[NH3+])cccc21 ZINC000641821603 452303878 /nfs/dbraw/zinc/30/38/78/452303878.db2.gz KRMHSJCELQTUIZ-CQSZACIVSA-N 2 0 348.447 1.254 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663582283 452307377 /nfs/dbraw/zinc/30/73/77/452307377.db2.gz DFHNCVGEZMWBSJ-GOSISDBHSA-N 2 0 331.464 1.620 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000659460389 452313418 /nfs/dbraw/zinc/31/34/18/452313418.db2.gz UZWJXXNPXGWHTO-HZPDHXFCSA-N 2 0 334.439 1.166 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638050932 452324304 /nfs/dbraw/zinc/32/43/04/452324304.db2.gz VZFSEUJMLMWBSM-HKUYNNGSSA-N 2 0 333.476 1.434 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)C[C@H]1C[NH3+] ZINC000652128908 452325100 /nfs/dbraw/zinc/32/51/00/452325100.db2.gz OJZGHPRNXBXSJN-GVDBMIGSSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)CC(C)(C)[NH3+])CC1 ZINC000659471884 452330325 /nfs/dbraw/zinc/33/03/25/452330325.db2.gz IRHIMMVZPMMRSJ-CQSZACIVSA-N 2 0 333.480 1.986 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652138697 452332449 /nfs/dbraw/zinc/33/24/49/452332449.db2.gz NCQASHQZHWPAKD-WRQOLXDDSA-N 2 0 340.512 1.358 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000641918350 452346005 /nfs/dbraw/zinc/34/60/05/452346005.db2.gz KTQHHLWEIHJWOJ-PIIMJCKOSA-N 2 0 328.460 1.430 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000659507114 452373004 /nfs/dbraw/zinc/37/30/04/452373004.db2.gz GMTNOENQLYAVRK-MRXNPFEDSA-N 2 0 338.496 1.319 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638071390 452381958 /nfs/dbraw/zinc/38/19/58/452381958.db2.gz IRNADELDRXVAAH-UYAOXDASSA-N 2 0 345.487 1.926 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638078218 452392227 /nfs/dbraw/zinc/39/22/27/452392227.db2.gz FSKSXDCSZOMSDL-MAUKXSAKSA-N 2 0 349.475 1.146 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000659544139 452402926 /nfs/dbraw/zinc/40/29/26/452402926.db2.gz PRXXYGGXLZJNSE-BFYDXBDKSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000663680270 452416629 /nfs/dbraw/zinc/41/66/29/452416629.db2.gz DXNILOGINFWCCE-YESZJQIVSA-N 2 0 339.528 1.184 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC2(C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000652238427 452425269 /nfs/dbraw/zinc/42/52/69/452425269.db2.gz GJYKLXWKGXOMKJ-OAHLLOKOSA-N 2 0 326.485 1.258 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000659579942 452435090 /nfs/dbraw/zinc/43/50/90/452435090.db2.gz MRFGZTMIVLLXLY-IPMKNSEASA-N 2 0 340.471 1.788 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000659581038 452436633 /nfs/dbraw/zinc/43/66/33/452436633.db2.gz HWMGJTVPHYICCD-KVFNFIISSA-N 2 0 338.402 1.399 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000659588199 452443992 /nfs/dbraw/zinc/44/39/92/452443992.db2.gz VVTPJHGVSCKVLG-JLSDUUJJSA-N 2 0 346.475 1.521 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659590838 452448207 /nfs/dbraw/zinc/44/82/07/452448207.db2.gz FSSXEOPFPQVGLL-ROUUACIJSA-N 2 0 346.450 1.832 20 0 EDADRP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H](C)[C@H]1O ZINC000661628881 452450873 /nfs/dbraw/zinc/45/08/73/452450873.db2.gz VDFONONULZNHAU-JHDROBOHSA-N 2 0 333.476 1.354 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)CC1 ZINC000645485116 452456506 /nfs/dbraw/zinc/45/65/06/452456506.db2.gz SHMNCENQUUKVAR-VQIMIIECSA-N 2 0 344.503 1.438 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659603173 452459378 /nfs/dbraw/zinc/45/93/78/452459378.db2.gz VEWDPWICAIOORY-HLLBOEOZSA-N 2 0 338.496 1.399 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000659607936 452464462 /nfs/dbraw/zinc/46/44/62/452464462.db2.gz HYAQCNAIZXWFTH-KRWDZBQOSA-N 2 0 338.496 1.271 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652278922 452465655 /nfs/dbraw/zinc/46/56/55/452465655.db2.gz FODRCMROKXWZDW-UHFFFAOYSA-N 2 0 326.416 1.004 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345639 452520710 /nfs/dbraw/zinc/52/07/10/452520710.db2.gz HHEXXLFJVCZSDN-KZNAEPCWSA-N 2 0 337.508 1.901 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346346 452520899 /nfs/dbraw/zinc/52/08/99/452520899.db2.gz ZFLSCWUWZLXISV-BSDSXHPESA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H](C[NH2+]C1CCN(C[C@@H]2CCCO2)CC1)CN1CC[NH+](C)CC1 ZINC000655708768 452525765 /nfs/dbraw/zinc/52/57/65/452525765.db2.gz OHABYRPDVJLQIS-MJGOQNOKSA-N 2 0 338.540 1.103 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647796778 452527918 /nfs/dbraw/zinc/52/79/18/452527918.db2.gz NMDRTGQVZAGHOY-RBSFLKMASA-N 2 0 327.428 1.650 20 0 EDADRP C[NH+](C)C1(CNC2CC[NH+](C[C@H]3CCCO3)CC2)CCOCC1 ZINC000655716518 452534510 /nfs/dbraw/zinc/53/45/10/452534510.db2.gz UWNBUVGUZFXGTA-QGZVFWFLSA-N 2 0 325.497 1.330 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361431 452542377 /nfs/dbraw/zinc/54/23/77/452542377.db2.gz HFYPLULDSKFMOH-IPMKNSEASA-N 2 0 345.487 1.972 20 0 EDADRP C[C@H]1C[N@H+](CCCNC2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000655760073 452560812 /nfs/dbraw/zinc/56/08/12/452560812.db2.gz WVDFHNDVLKGOFT-WMZOPIPTSA-N 3 0 325.497 1.330 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000647833929 452568341 /nfs/dbraw/zinc/56/83/41/452568341.db2.gz UNEWGEMQWJCSIA-MJGOQNOKSA-N 2 0 344.503 1.750 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)C1 ZINC000659719938 452611355 /nfs/dbraw/zinc/61/13/55/452611355.db2.gz NQHVJYOLTSBAJQ-INIZCTEOSA-N 2 0 338.496 1.016 20 0 EDADRP CC(=O)Nc1cccc(OCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000647909417 452649824 /nfs/dbraw/zinc/64/98/24/452649824.db2.gz MAAYDPHSCZEZSV-UHFFFAOYSA-N 2 0 349.475 1.849 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000657992432 452667692 /nfs/dbraw/zinc/66/76/92/452667692.db2.gz JXBJRGSLQSESSP-FUHWJXTLSA-N 2 0 328.497 1.909 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924875 452691927 /nfs/dbraw/zinc/69/19/27/452691927.db2.gz SCXBPUBKZFRGER-XBFCOCLRSA-N 2 0 344.381 1.696 20 0 EDADRP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000658034594 452695877 /nfs/dbraw/zinc/69/58/77/452695877.db2.gz JVJKGCMVKLMLLN-QXAKKESOSA-N 2 0 343.475 1.793 20 0 EDADRP Cc1nc(NCC2([NH+](C)C)CC2)nc(NCC2([NH+](C)C)CC2)c1F ZINC000664022559 452723554 /nfs/dbraw/zinc/72/35/54/452723554.db2.gz RRQNRQXFSOIAMJ-UHFFFAOYSA-N 2 0 336.459 1.936 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655962558 452744242 /nfs/dbraw/zinc/74/42/42/452744242.db2.gz ONTYOMRPICAQCM-ROUUACIJSA-N 2 0 345.491 1.877 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139673 452748941 /nfs/dbraw/zinc/74/89/41/452748941.db2.gz QXFXBPQCRPZTAU-PBHICJAKSA-N 2 0 340.489 1.166 20 0 EDADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]3C[NH2+]CCO3)ccc21 ZINC000645810674 452809478 /nfs/dbraw/zinc/80/94/78/452809478.db2.gz SDTFOULXHVZLDU-GOSISDBHSA-N 2 0 344.459 1.910 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000643937105 452832111 /nfs/dbraw/zinc/83/21/11/452832111.db2.gz XOBZATPSGYIQPE-UHFFFAOYSA-N 2 0 346.475 1.648 20 0 EDADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119091 452835114 /nfs/dbraw/zinc/83/51/14/452835114.db2.gz NYQASCYTGUIPSK-IYOUNJFTSA-N 2 0 346.500 1.613 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652699285 452849433 /nfs/dbraw/zinc/84/94/33/452849433.db2.gz UNHLRRATNGMFOE-MRXNPFEDSA-N 2 0 340.512 1.247 20 0 EDADRP COCCC1(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)CC[NH2+]CC1 ZINC000648137627 452852169 /nfs/dbraw/zinc/85/21/69/452852169.db2.gz ZHVFIUNUYVURNG-NSHDSACASA-N 2 0 338.477 1.304 20 0 EDADRP O=C(N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000648143273 452855052 /nfs/dbraw/zinc/85/50/52/452855052.db2.gz MQFFGVRSHWWPQO-IAGOWNOFSA-N 2 0 345.491 1.200 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654749389 452880820 /nfs/dbraw/zinc/88/08/20/452880820.db2.gz OXXOBXDVVNBGOU-MOPGFXCFSA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)C1 ZINC000659980126 452889336 /nfs/dbraw/zinc/88/93/36/452889336.db2.gz RFIUDUDFOSWTDT-BSDSXHPESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000664216256 452891102 /nfs/dbraw/zinc/89/11/02/452891102.db2.gz GEALTCBYQCYNQC-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC[C@@H]2CCc3ccccc3N2)C1 ZINC000650720960 452950227 /nfs/dbraw/zinc/95/02/27/452950227.db2.gz JPLYXKFWYWNWRE-WBVHZDCISA-N 2 0 330.476 1.590 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[NH+](C)C ZINC000658425157 452952013 /nfs/dbraw/zinc/95/20/13/452952013.db2.gz FGNGRRCBLJHYHZ-AWEZNQCLSA-N 2 0 334.464 1.186 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000664299246 452977240 /nfs/dbraw/zinc/97/72/40/452977240.db2.gz ZWBGIGHFPKETHZ-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000660075991 452990670 /nfs/dbraw/zinc/99/06/70/452990670.db2.gz DQEDALFADMAGOV-CQSZACIVSA-N 2 0 334.445 1.697 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)C1 ZINC000646002828 452998080 /nfs/dbraw/zinc/99/80/80/452998080.db2.gz GTPQVNRVPQHFBN-OKZBNKHCSA-N 2 0 336.524 1.523 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002972 452999627 /nfs/dbraw/zinc/99/96/27/452999627.db2.gz LTMAIGYIMHHTMI-SJLPKXTDSA-N 2 0 330.476 1.233 20 0 EDADRP Cn1cc(N2CC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C2=O)cn1 ZINC000662292593 453016997 /nfs/dbraw/zinc/01/69/97/453016997.db2.gz OPDFKQMIRARRPD-WBVHZDCISA-N 2 0 331.464 1.237 20 0 EDADRP Cc1ncccc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337620 453056161 /nfs/dbraw/zinc/05/61/61/453056161.db2.gz MDROASKRDCEAFZ-KRWDZBQOSA-N 2 0 340.475 1.902 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000662384812 453095183 /nfs/dbraw/zinc/09/51/83/453095183.db2.gz XEXSBVYJTBHMAN-SFHVURJKSA-N 2 0 332.492 1.438 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662389029 453099208 /nfs/dbraw/zinc/09/92/08/453099208.db2.gz SCRMGHPZBSSEOK-HNNXBMFYSA-N 2 0 333.480 1.729 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662406748 453117995 /nfs/dbraw/zinc/11/79/95/453117995.db2.gz JSIITRXFRHLMNX-XGUBFFRZSA-N 2 0 333.480 1.583 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000664473727 453125421 /nfs/dbraw/zinc/12/54/21/453125421.db2.gz AJIBABUVXZGXGS-DJIMGWMZSA-N 2 0 340.512 1.394 20 0 EDADRP CC(C)(CNC(=O)C[N@@H+]1CCCC[C@@H]1C1CCC1)N1CCOCC1 ZINC000646137439 453145438 /nfs/dbraw/zinc/14/54/38/453145438.db2.gz GNBVRCRSVAKODD-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1cccc(C[NH3+])c1)C(C)(C)C ZINC000666801381 453156037 /nfs/dbraw/zinc/15/60/37/453156037.db2.gz JURSRYNQUXMADF-HNNXBMFYSA-N 2 0 334.464 1.566 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000646189608 453202962 /nfs/dbraw/zinc/20/29/62/453202962.db2.gz XOXXQYHBMMCELL-FUHWJXTLSA-N 2 0 328.460 1.738 20 0 EDADRP COC1CC[NH+](CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662492429 453209660 /nfs/dbraw/zinc/20/96/60/453209660.db2.gz KCPVXNNNIOTPSK-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cc(C4CC[NH2+]CC4)no3)CC[C@@H]21 ZINC000662502071 453217630 /nfs/dbraw/zinc/21/76/30/453217630.db2.gz HNQBXEDNMNJQNG-HOCLYGCPSA-N 2 0 332.448 1.698 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000666926812 453255741 /nfs/dbraw/zinc/25/57/41/453255741.db2.gz ZDBXKCBOGPPSFY-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000660403541 453277261 /nfs/dbraw/zinc/27/72/61/453277261.db2.gz DAVYKGCRHHUFKU-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cc(C2CC[NH2+]CC2)no1 ZINC000662564917 453293110 /nfs/dbraw/zinc/29/31/10/453293110.db2.gz ZJHFVRXNLIYKGS-UHFFFAOYSA-N 2 0 342.399 1.876 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653112967 453300009 /nfs/dbraw/zinc/30/00/09/453300009.db2.gz OEYHSKOEYSKUCT-SJORKVTESA-N 2 0 331.460 1.774 20 0 EDADRP CO[C@@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000662575753 453303318 /nfs/dbraw/zinc/30/33/18/453303318.db2.gz DZCXQORXXJPSEB-ZWKOTPCHSA-N 2 0 345.487 1.911 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000662592235 453319335 /nfs/dbraw/zinc/31/93/35/453319335.db2.gz IICFEEFMOUBABE-KBPBESRZSA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662594524 453321009 /nfs/dbraw/zinc/32/10/09/453321009.db2.gz VCGCQXJNZOIYTO-ZDUSSCGKSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@H](CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)[NH+](C)C ZINC000662633625 453349784 /nfs/dbraw/zinc/34/97/84/453349784.db2.gz MWVIITMLKWSCTL-QAPCUYQASA-N 2 0 343.475 1.258 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000653185276 453375188 /nfs/dbraw/zinc/37/51/88/453375188.db2.gz YXWZHHXFZZMTNT-LXZKKBNFSA-N 2 0 328.416 1.693 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000664758518 453381416 /nfs/dbraw/zinc/38/14/16/453381416.db2.gz OQQHDRFSKDDXOL-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000667067778 453383455 /nfs/dbraw/zinc/38/34/55/453383455.db2.gz MRCQWCCEIABZEF-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP CC1CC[NH+](CCNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662678904 453398267 /nfs/dbraw/zinc/39/82/67/453398267.db2.gz JXGPDIPBEWKOOR-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298669 453421479 /nfs/dbraw/zinc/42/14/79/453421479.db2.gz CFXQZLSRPRYBHF-ZWKOTPCHSA-N 2 0 329.444 1.173 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+]1CCC(C)CC1 ZINC000662702007 453423657 /nfs/dbraw/zinc/42/36/57/453423657.db2.gz WBFVYUBNMXQSIG-HZPDHXFCSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662710565 453434773 /nfs/dbraw/zinc/43/47/73/453434773.db2.gz HKXPSRGMGVLSHH-BZUAXINKSA-N 2 0 348.495 1.585 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662717926 453442142 /nfs/dbraw/zinc/44/21/42/453442142.db2.gz DVABZGUNBBZGMD-VDHUWJSZSA-N 2 0 331.460 1.520 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCOC1(C)C ZINC000667227627 453495650 /nfs/dbraw/zinc/49/56/50/453495650.db2.gz NWNKCVXLSSDSOD-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662762618 453500316 /nfs/dbraw/zinc/50/03/16/453500316.db2.gz XDBKHKQMGAYSGD-JKSUJKDBSA-N 2 0 346.479 1.197 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000660667982 453502236 /nfs/dbraw/zinc/50/22/36/453502236.db2.gz BHKLHNKCQXIQNW-SFHVURJKSA-N 2 0 330.476 1.854 20 0 EDADRP Cc1cc(N2CCN(CC[NH+](C)C)C(=O)C2)c2cc(F)ccc2[nH+]1 ZINC000651383171 453522325 /nfs/dbraw/zinc/52/23/25/453522325.db2.gz NACQLEFNFVUGPT-UHFFFAOYSA-N 2 0 330.407 1.893 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[NH+](C)C)c1 ZINC000655442714 453530514 /nfs/dbraw/zinc/53/05/14/453530514.db2.gz XDUDEBLZIRZOFM-JENIJYKNSA-N 2 0 331.460 1.804 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)CC[NH2+]C3CC3)c2)CC1 ZINC000655444621 453532077 /nfs/dbraw/zinc/53/20/77/453532077.db2.gz KTPWAYGBNZMDNO-UHFFFAOYSA-N 2 0 344.459 1.465 20 0 EDADRP CN(C(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667338774 453568944 /nfs/dbraw/zinc/56/89/44/453568944.db2.gz QNJRIWWORWCIDU-GOSISDBHSA-N 2 0 334.508 1.987 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC2(CCC2)C1 ZINC000662860647 453575640 /nfs/dbraw/zinc/57/56/40/453575640.db2.gz SOSOQLFHOZAZQH-QGZVFWFLSA-N 2 0 343.471 1.531 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000662860709 453576265 /nfs/dbraw/zinc/57/62/65/453576265.db2.gz UOHSUUZLGJXBHQ-LJQANCHMSA-N 2 0 339.439 1.642 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662860706 453576356 /nfs/dbraw/zinc/57/63/56/453576356.db2.gz ULMWNAADZQMGRC-ROUUACIJSA-N 2 0 347.503 1.894 20 0 EDADRP C[NH+]1CCC(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000660822891 453587224 /nfs/dbraw/zinc/58/72/24/453587224.db2.gz WIEFPUVWBOLCIQ-UHFFFAOYSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660822530 453587485 /nfs/dbraw/zinc/58/74/85/453587485.db2.gz DILACLGCMJZGBG-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855211 453611790 /nfs/dbraw/zinc/61/17/90/453611790.db2.gz LOIPTKZPTCMDMH-NVXWUHKLSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233388 453617439 /nfs/dbraw/zinc/61/74/39/453617439.db2.gz GOCFPXOQLIZWCU-WBVHZDCISA-N 2 0 325.497 1.234 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659091463 453625397 /nfs/dbraw/zinc/62/53/97/453625397.db2.gz NNMDLQVWGZMEGX-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659095329 453627967 /nfs/dbraw/zinc/62/79/67/453627967.db2.gz CEOWNHGRGXXELQ-CQSZACIVSA-N 2 0 332.448 1.381 20 0 EDADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000665263220 453629688 /nfs/dbraw/zinc/62/96/88/453629688.db2.gz IPCBZDCNEULIBQ-BZUAXINKSA-N 2 0 344.521 1.481 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659100863 453632911 /nfs/dbraw/zinc/63/29/11/453632911.db2.gz YICYDOOENUXUPD-UHFFFAOYSA-N 2 0 346.475 1.855 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000665283224 453634794 /nfs/dbraw/zinc/63/47/94/453634794.db2.gz JKNUOVWPTJJESJ-VAMGGRTRSA-N 2 0 330.520 1.910 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000665289864 453637150 /nfs/dbraw/zinc/63/71/50/453637150.db2.gz ZHPCPBLVWGAANG-LPHOPBHVSA-N 3 0 346.519 1.525 20 0 EDADRP COc1ccc([C@H](C)[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665293125 453638881 /nfs/dbraw/zinc/63/88/81/453638881.db2.gz SCLSTDFEKNNSDG-NEPJUHHUSA-N 2 0 346.431 1.940 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC000663002726 453643222 /nfs/dbraw/zinc/64/32/22/453643222.db2.gz IDSPLJDKPCURQE-HNNXBMFYSA-N 2 0 346.479 1.054 20 0 EDADRP C[C@@]1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000663012279 453646501 /nfs/dbraw/zinc/64/65/01/453646501.db2.gz VLKFAGCIZDLANB-LJQANCHMSA-N 2 0 330.476 1.457 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000659280030 453698330 /nfs/dbraw/zinc/69/83/30/453698330.db2.gz PLMSJXCADQYNDB-HNNXBMFYSA-N 2 0 336.436 1.268 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000659307087 453708996 /nfs/dbraw/zinc/70/89/96/453708996.db2.gz LCTDGTMYVVRRMC-WBVHZDCISA-N 2 0 344.459 1.067 20 0 EDADRP O=C(C[NH2+][C@@H](CO)C1CCC1)N1CCN(Cc2ccsc2)CC1 ZINC000661151470 453735908 /nfs/dbraw/zinc/73/59/08/453735908.db2.gz IKLWXMDKYSUHHJ-INIZCTEOSA-N 2 0 337.489 1.143 20 0 EDADRP O=C1NCCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657287671 453758284 /nfs/dbraw/zinc/75/82/84/453758284.db2.gz CQFIDMSPAXPQAI-KRWDZBQOSA-N 2 0 331.460 1.777 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc3ccncc3s2)C1 ZINC000657349176 453770657 /nfs/dbraw/zinc/77/06/57/453770657.db2.gz DSJOQDYPHINZBS-CQSZACIVSA-N 2 0 332.473 1.973 20 0 EDADRP c1cc(CNC2CC[NH+](C[C@@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657364720 453774717 /nfs/dbraw/zinc/77/47/17/453774717.db2.gz OQCFHLNBFKQDHS-INIZCTEOSA-N 2 0 341.459 1.858 20 0 EDADRP CCc1nn(C)c(OC)c1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657425192 453784906 /nfs/dbraw/zinc/78/49/06/453784906.db2.gz DTOILFUHRGINAY-UHFFFAOYSA-N 2 0 326.404 1.862 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(C)C ZINC000663421031 453793409 /nfs/dbraw/zinc/79/34/09/453793409.db2.gz WJZRUMGJAPDQAH-QGZVFWFLSA-N 2 0 340.512 1.346 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+](C)C)c1 ZINC000663445385 453800696 /nfs/dbraw/zinc/80/06/96/453800696.db2.gz ONBPYGWMVUEWMI-QGZVFWFLSA-N 2 0 334.464 1.501 20 0 EDADRP CCN(C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000663453029 453802513 /nfs/dbraw/zinc/80/25/13/453802513.db2.gz WZOIPHUGURMAAV-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683390069 486704169 /nfs/dbraw/zinc/70/41/69/486704169.db2.gz SEHJEGRKYCLZNL-SFHVURJKSA-N 2 0 343.475 1.930 20 0 EDADRP CN(C(=O)C(C)(C)c1cnn(C)c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680196835 486718679 /nfs/dbraw/zinc/71/86/79/486718679.db2.gz PQFYXCZCXBUFRK-QGZVFWFLSA-N 2 0 347.507 1.325 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000667537214 486829841 /nfs/dbraw/zinc/82/98/41/486829841.db2.gz TYMGHJGGCGTFCT-RDJZCZTQSA-N 2 0 344.459 1.206 20 0 EDADRP O=C1CCCN1[C@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667615000 486879706 /nfs/dbraw/zinc/87/97/06/486879706.db2.gz DEDGCYWYCYAGQO-INIZCTEOSA-N 2 0 325.416 1.854 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@H]3C[NH2+]CCCO3)ccc21 ZINC000667662125 486903422 /nfs/dbraw/zinc/90/34/22/486903422.db2.gz TVPNGZQQICSKJW-WBVHZDCISA-N 2 0 332.448 1.736 20 0 EDADRP c1cc2n(n1)C[C@@H](C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)CN2 ZINC000684200556 486983125 /nfs/dbraw/zinc/98/31/25/486983125.db2.gz RWNJDDJRERHMJJ-MRXNPFEDSA-N 2 0 333.480 1.502 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685456942 487278571 /nfs/dbraw/zinc/27/85/71/487278571.db2.gz CDDXTMNCOXIAJY-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682166776 487312528 /nfs/dbraw/zinc/31/25/28/487312528.db2.gz HBMBYYHEXSDURJ-QGZVFWFLSA-N 2 0 349.519 1.904 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685759808 487319488 /nfs/dbraw/zinc/31/94/88/487319488.db2.gz RUEKZWWDPWPFMF-ZDUSSCGKSA-N 2 0 344.419 1.051 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC12CCC2 ZINC000675319447 487398247 /nfs/dbraw/zinc/39/82/47/487398247.db2.gz CQWNPFLCAATLRE-KRWDZBQOSA-N 2 0 328.460 1.900 20 0 EDADRP C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)C1CC[NH+](C)CC1 ZINC000675733501 487439723 /nfs/dbraw/zinc/43/97/23/487439723.db2.gz WOAOCJGKFSOYKT-CQSZACIVSA-N 2 0 336.480 1.561 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000669301004 485944591 /nfs/dbraw/zinc/94/45/91/485944591.db2.gz XGIGTGQCFXXAHS-YUTCNCBUSA-N 2 0 326.466 1.108 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000344373043 485946147 /nfs/dbraw/zinc/94/61/47/485946147.db2.gz FWIODRKAPNDHHQ-NXHRZFHOSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC/C=C/C[NH3+])CC2)c1 ZINC000669371153 486015844 /nfs/dbraw/zinc/01/58/44/486015844.db2.gz JNVFTTKIWUAEGF-NSCUHMNNSA-N 2 0 345.491 1.321 20 0 EDADRP CN(C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000668688092 486047815 /nfs/dbraw/zinc/04/78/15/486047815.db2.gz KAMFXGPZSZASPA-KRWDZBQOSA-N 2 0 348.491 1.815 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000675193850 486049192 /nfs/dbraw/zinc/04/91/92/486049192.db2.gz HBMUKDVOLQXGTL-SJORKVTESA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(F)cc1 ZINC000669398663 486059088 /nfs/dbraw/zinc/05/90/88/486059088.db2.gz NZDXFOYILYZDEB-IAOVAPTHSA-N 2 0 334.439 1.822 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000669402563 486072571 /nfs/dbraw/zinc/07/25/71/486072571.db2.gz GUIDMBOOZNDTQM-SFHVURJKSA-N 2 0 330.476 1.978 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000669402871 486073149 /nfs/dbraw/zinc/07/31/49/486073149.db2.gz RCZCSSNORQUVLV-AIANPOQGSA-N 2 0 326.485 1.255 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H](C)[NH3+])CC2)cc1 ZINC000669422801 486144789 /nfs/dbraw/zinc/14/47/89/486144789.db2.gz WJDXYSCHIYNSMJ-CQSZACIVSA-N 2 0 334.464 1.554 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000174993475 486208509 /nfs/dbraw/zinc/20/85/09/486208509.db2.gz UXMMIFAJDBEJSF-HZMVEIRTSA-N 2 0 338.496 1.364 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH2+]2)[C@@H](C)C1 ZINC000669486242 486252204 /nfs/dbraw/zinc/25/22/04/486252204.db2.gz INAHWBNLMJGETC-BBWFWOEESA-N 2 0 340.512 1.565 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[NH2+]C2CC2)[C@@H](C)C1 ZINC000669486303 486252836 /nfs/dbraw/zinc/25/28/36/486252836.db2.gz VQJDRGZBFUAUKX-HOCLYGCPSA-N 2 0 326.485 1.175 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000669491360 486263640 /nfs/dbraw/zinc/26/36/40/486263640.db2.gz WPWLIAAAOODYSX-IAGOWNOFSA-N 2 0 334.508 1.890 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000669496360 486270603 /nfs/dbraw/zinc/27/06/03/486270603.db2.gz CLISKBHJCQHCFP-QGZVFWFLSA-N 2 0 330.476 1.527 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000669508601 486291664 /nfs/dbraw/zinc/29/16/64/486291664.db2.gz BWTQDYGNBRBXMG-YLJYHZDGSA-N 2 0 339.439 1.743 20 0 EDADRP CN(C)c1cnccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000670082124 486608046 /nfs/dbraw/zinc/60/80/46/486608046.db2.gz SLCDHNVOZDSSAO-UHFFFAOYSA-N 2 0 327.432 1.953 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000671515643 486636925 /nfs/dbraw/zinc/63/69/25/486636925.db2.gz SCUDJRQVSDZIAR-CQSZACIVSA-N 2 0 346.435 1.482 20 0 EDADRP CO[C@@H]1CC[C@@H]2OCCN(C[C@@H](O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359992 491011068 /nfs/dbraw/zinc/01/10/68/491011068.db2.gz SXTCKXOSERKVJP-YRPNKDGESA-N 2 0 348.487 1.748 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000127606935 491016777 /nfs/dbraw/zinc/01/67/77/491016777.db2.gz JBVFJURHNPATQT-GJZGRUSLSA-N 2 0 329.448 1.538 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000168514220 533893242 /nfs/dbraw/zinc/89/32/42/533893242.db2.gz QBRSKUNVNNSXEG-NXHRZFHOSA-N 2 0 331.460 1.486 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)NCC3CC3)CC2)C[C@H](C)O1 ZINC000177497174 533926628 /nfs/dbraw/zinc/92/66/28/533926628.db2.gz PVBMGQMITXJORU-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262659084 536448579 /nfs/dbraw/zinc/44/85/79/536448579.db2.gz FLJOHVMPCLUJOZ-CYBMUJFWSA-N 2 0 347.463 1.696 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000237257821 536448585 /nfs/dbraw/zinc/44/85/85/536448585.db2.gz HRKFVXZZDZMRJD-CQSZACIVSA-N 2 0 332.448 1.306 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000131994298 529105002 /nfs/dbraw/zinc/10/50/02/529105002.db2.gz AJNRFXKRRYTHMS-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)C(=O)NCC)CC1 ZINC000347689544 534936816 /nfs/dbraw/zinc/93/68/16/534936816.db2.gz VQLHQLFOVUSYCC-INIZCTEOSA-N 2 0 332.492 1.833 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C)C(C)C ZINC000339612016 535066427 /nfs/dbraw/zinc/06/64/27/535066427.db2.gz HJQNKIGSISWQPN-CVEARBPZSA-N 2 0 340.512 1.020 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519245 535067859 /nfs/dbraw/zinc/06/78/59/535067859.db2.gz PJHRGKRPLRRTQI-AWEZNQCLSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[C@H](C(=O)NC1CC[NH+](CCc2ccncc2)CC1)[NH+](C)C ZINC000106914297 535326232 /nfs/dbraw/zinc/32/62/32/535326232.db2.gz IQNRLVGKYSLSQD-GOSISDBHSA-N 2 0 332.492 1.791 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1([NH3+])CCOCC1)c1cccc(OC)c1 ZINC000261780212 535653153 /nfs/dbraw/zinc/65/31/53/535653153.db2.gz HKENKULHRHSINZ-KRWDZBQOSA-N 2 0 349.475 1.702 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000340176207 535698732 /nfs/dbraw/zinc/69/87/32/535698732.db2.gz CBTPVVYZSZNNSM-UHFFFAOYSA-N 2 0 345.553 1.207 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996086 535714534 /nfs/dbraw/zinc/71/45/34/535714534.db2.gz VMRJXJZBUDHUJU-CVEARBPZSA-N 2 0 326.529 1.543 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)[C@H](C)C1 ZINC000347418211 535768005 /nfs/dbraw/zinc/76/80/05/535768005.db2.gz JYJKGZLYHHWKPV-ZBFHGGJFSA-N 2 0 331.526 1.509 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000246420494 535889861 /nfs/dbraw/zinc/88/98/61/535889861.db2.gz NDWWKJQZEAQCSF-MOPGFXCFSA-N 2 0 344.503 1.694 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1Cl ZINC000262457372 535909366 /nfs/dbraw/zinc/90/93/66/535909366.db2.gz WUFKZMWFZBGXOV-CYBMUJFWSA-N 2 0 341.839 1.597 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000245547360 535973794 /nfs/dbraw/zinc/97/37/94/535973794.db2.gz MSAANRYDTFMFKO-KRWWSPQJSA-N 2 0 341.496 1.819 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000347094604 536750148 /nfs/dbraw/zinc/75/01/48/536750148.db2.gz HZOKPNWNEFUISV-MRXNPFEDSA-N 2 0 347.459 1.348 20 0 EDADRP COCC1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000262309730 536808084 /nfs/dbraw/zinc/80/80/84/536808084.db2.gz AFIFCGBORCGIST-HNNXBMFYSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000743978491 579496035 /nfs/dbraw/zinc/49/60/35/579496035.db2.gz JDTGKVCRLQWZMV-AWEZNQCLSA-N 2 0 332.448 1.287 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCO[C@H](C)C2)C1 ZINC000729605798 578584425 /nfs/dbraw/zinc/58/44/25/578584425.db2.gz MIPGWNDVVNOKDP-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760488356 580031872 /nfs/dbraw/zinc/03/18/72/580031872.db2.gz SAPOLTRRIGEQGK-MRXNPFEDSA-N 2 0 326.554 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC1(C)CCC1 ZINC000746149439 579574004 /nfs/dbraw/zinc/57/40/04/579574004.db2.gz FHGGCLLFRMBLQU-INIZCTEOSA-N 2 0 325.497 1.820 20 0 EDADRP Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764479207 580121415 /nfs/dbraw/zinc/12/14/15/580121415.db2.gz MHWJYQLMVMGXRU-YZGWKJHDSA-N 2 0 331.504 1.986 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000771036663 580277933 /nfs/dbraw/zinc/27/79/33/580277933.db2.gz AKGXNMGAHXNFFS-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786783285 580679091 /nfs/dbraw/zinc/67/90/91/580679091.db2.gz MEBUYQZCPNVYNI-MRXNPFEDSA-N 2 0 345.491 1.504 20 0 EDADRP Cc1cc([C@@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000793523856 580846999 /nfs/dbraw/zinc/84/69/99/580846999.db2.gz FKXPFCBWUHUWNJ-QGZVFWFLSA-N 2 0 342.491 1.986 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCC1 ZINC000891852431 590654741 /nfs/dbraw/zinc/65/47/41/590654741.db2.gz YXAPXOXXEWFMJG-CYBMUJFWSA-N 2 0 332.439 1.652 20 0 EDADRP COCCC1(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC[NH2+]CC1 ZINC000891858337 590659039 /nfs/dbraw/zinc/65/90/39/590659039.db2.gz OMCNNXVCGYIHCB-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP C[N@H+](CCCNC(=O)NCC[NH+]1CCC(O)CC1)C1CCCCC1 ZINC000891893404 590675526 /nfs/dbraw/zinc/67/55/26/590675526.db2.gz NXSLLSRYYOMATR-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)CC1 ZINC000893155856 590686485 /nfs/dbraw/zinc/68/64/85/590686485.db2.gz NFBVPRFDHTZKBS-UHFFFAOYSA-N 2 0 343.415 1.232 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000891917083 590688022 /nfs/dbraw/zinc/68/80/22/590688022.db2.gz GJCRIHMAGZHNNU-MRXNPFEDSA-N 2 0 338.496 1.320 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)C[C@]2(C)C1 ZINC000891990614 590731199 /nfs/dbraw/zinc/73/11/99/590731199.db2.gz XLBIWRJDQWSBHC-KDOFPFPSSA-N 2 0 331.464 1.355 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893249411 590735087 /nfs/dbraw/zinc/73/50/87/590735087.db2.gz QWHSWCNTFJMOMK-IAGOWNOFSA-N 2 0 338.496 1.101 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCCC1 ZINC000892009568 590741407 /nfs/dbraw/zinc/74/14/07/590741407.db2.gz LQOXCMZCIFNUMM-FRRDWIJNSA-N 2 0 336.402 1.673 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC2CCC([NH3+])CC2)c1 ZINC000892023727 590753972 /nfs/dbraw/zinc/75/39/72/590753972.db2.gz KYUUXIMSNAMFLC-DQPZFDDXSA-N 2 0 332.448 1.621 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000892095095 590797423 /nfs/dbraw/zinc/79/74/23/590797423.db2.gz CZGBAJHQCGXELU-QRTARXTBSA-N 2 0 332.448 1.492 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892144033 590819972 /nfs/dbraw/zinc/81/99/72/590819972.db2.gz GXIOWDBSJBCANA-WXSAJPJJSA-N 2 0 330.476 1.886 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000892157512 590829426 /nfs/dbraw/zinc/82/94/26/590829426.db2.gz UDIDWIKRACVMBQ-KBPBESRZSA-N 2 0 326.391 1.243 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000892241715 590882649 /nfs/dbraw/zinc/88/26/49/590882649.db2.gz RXVWSGJCCFQQOQ-RHSMWYFYSA-N 2 0 331.464 1.425 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC2(CCC2)CO1 ZINC000891009014 590910801 /nfs/dbraw/zinc/91/08/01/590910801.db2.gz LGHFWQRHTKWXGQ-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342706 590970975 /nfs/dbraw/zinc/97/09/75/590970975.db2.gz MLTGIHDSSUVOOB-KSSFIOAISA-N 2 0 330.476 1.814 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000892411838 591017497 /nfs/dbraw/zinc/01/74/97/591017497.db2.gz PHFGZRXBHGPDHJ-HKUYNNGSSA-N 2 0 330.476 1.732 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000892461139 591035877 /nfs/dbraw/zinc/03/58/77/591035877.db2.gz AZKAWMHTRYVCLA-HJOIGYKYSA-N 2 0 336.480 1.106 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000893662613 591038639 /nfs/dbraw/zinc/03/86/39/591038639.db2.gz ZLEVSGVBNQYPEV-CYBMUJFWSA-N 2 0 340.493 1.435 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000892472776 591039805 /nfs/dbraw/zinc/03/98/05/591039805.db2.gz FLICJJNCKAQNGD-UHFFFAOYSA-N 2 0 336.480 1.106 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000892479720 591041718 /nfs/dbraw/zinc/04/17/18/591041718.db2.gz LQFYPITYOQQSDJ-INIZCTEOSA-N 2 0 348.491 1.768 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000891322645 591046198 /nfs/dbraw/zinc/04/61/98/591046198.db2.gz SCHNIVPSEQGSDM-UHFFFAOYSA-N 2 0 347.507 1.231 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891339473 591049883 /nfs/dbraw/zinc/04/98/83/591049883.db2.gz BUYUYLDHMJXWGA-ROUUACIJSA-N 2 0 328.460 1.449 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891349475 591054256 /nfs/dbraw/zinc/05/42/56/591054256.db2.gz IJZDFFAADRFYDP-UPJWGTAASA-N 2 0 336.402 1.639 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)C[NH+]1CCCCC1 ZINC000891393658 591066570 /nfs/dbraw/zinc/06/65/70/591066570.db2.gz BAMZKXVOAJHBLE-ZIAGYGMSSA-N 2 0 332.439 1.652 20 0 EDADRP CN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000892562423 591073152 /nfs/dbraw/zinc/07/31/52/591073152.db2.gz FBRYCDBSTPBJPN-IYBDPMFKSA-N 2 0 345.491 1.467 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccccn2)CC1 ZINC000892606503 591092070 /nfs/dbraw/zinc/09/20/70/591092070.db2.gz HLJFPROGDNWRAU-MUJYYYPQSA-N 2 0 329.448 1.444 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891494156 591093583 /nfs/dbraw/zinc/09/35/83/591093583.db2.gz IJHSQHWAIZYCBL-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N3C[C@H]([NH3+])C[C@@H]3C)CCCC2)CC1 ZINC000891527572 591108285 /nfs/dbraw/zinc/10/82/85/591108285.db2.gz BHULQBRGSXZVGH-LSDHHAIUSA-N 2 0 338.496 1.541 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891540070 591116921 /nfs/dbraw/zinc/11/69/21/591116921.db2.gz LSLNFUUPBITCSK-GFCCVEGCSA-N 2 0 337.493 1.544 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891557386 591124271 /nfs/dbraw/zinc/12/42/71/591124271.db2.gz PYSGVLNFJCBQOU-BZSNNMDCSA-N 2 0 328.460 1.969 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891557627 591124348 /nfs/dbraw/zinc/12/43/48/591124348.db2.gz UBCBIOPDKIQOJZ-FGTMMUONSA-N 2 0 328.460 1.797 20 0 EDADRP CCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@H]1CC[NH2+]C1 ZINC000891635122 591160244 /nfs/dbraw/zinc/16/02/44/591160244.db2.gz JSOWKZMXFZYQFC-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCSC1 ZINC000891639756 591162692 /nfs/dbraw/zinc/16/26/92/591162692.db2.gz SSGWKSKKMUJCOI-WMZOPIPTSA-N 2 0 348.516 1.437 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642856 591164223 /nfs/dbraw/zinc/16/42/23/591164223.db2.gz AALSZADIGDBCBT-OWLYRPNTSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000891658960 591172323 /nfs/dbraw/zinc/17/23/23/591172323.db2.gz BXRYEWCSQDWTFA-DCQANWLSSA-N 2 0 334.386 1.390 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892783295 591174967 /nfs/dbraw/zinc/17/49/67/591174967.db2.gz KRRQZWQOQSNSBV-INIZCTEOSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@H](NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C(C)(C)C[NH+](C)C ZINC000891666486 591175159 /nfs/dbraw/zinc/17/51/59/591175159.db2.gz WKMFWTHHXXQCLO-SRVKXCTJSA-N 2 0 338.418 1.741 20 0 EDADRP C[C@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)(C)C[NH+](C)C ZINC000891664277 591175763 /nfs/dbraw/zinc/17/57/63/591175763.db2.gz GPYVFPIBNMWMTI-NSHDSACASA-N 2 0 339.509 1.646 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000891663941 591175911 /nfs/dbraw/zinc/17/59/11/591175911.db2.gz DYLLDZZZRXSQKR-GJZGRUSLSA-N 2 0 340.512 1.421 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000892792615 591177970 /nfs/dbraw/zinc/17/79/70/591177970.db2.gz PRTWAGIXIKBKQO-KZNAEPCWSA-N 2 0 328.460 1.437 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000892788105 591178528 /nfs/dbraw/zinc/17/85/28/591178528.db2.gz BHUCOTPFQSKVDW-RBUKOAKNSA-N 2 0 342.487 1.732 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892804434 591184055 /nfs/dbraw/zinc/18/40/55/591184055.db2.gz FNQKRDOPKYXMTR-LPHOPBHVSA-N 2 0 342.487 1.828 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891748508 591209510 /nfs/dbraw/zinc/20/95/10/591209510.db2.gz RSAVPYUOQCINFT-ZWKOTPCHSA-N 2 0 343.475 1.834 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)N3CCc4sc(C[NH3+])nc4C3)C2)C1 ZINC000892880029 591215466 /nfs/dbraw/zinc/21/54/66/591215466.db2.gz XVCXROKCZZDHRG-QGZVFWFLSA-N 2 0 349.504 1.498 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1=CC[N@H+](C)CC1 ZINC000891766437 591216908 /nfs/dbraw/zinc/21/69/08/591216908.db2.gz UDQJOCRERCFCLH-UHTWSYAYSA-N 2 0 334.386 1.415 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000892926888 591225864 /nfs/dbraw/zinc/22/58/64/591225864.db2.gz ZRZLGWKAIXIIRK-CQSZACIVSA-N 2 0 326.485 1.087 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000892934032 591229634 /nfs/dbraw/zinc/22/96/34/591229634.db2.gz XTRWSWURAUVNLA-HNNXBMFYSA-N 2 0 326.485 1.352 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944849 591233405 /nfs/dbraw/zinc/23/34/05/591233405.db2.gz OZPCAUZFFGTBQT-IKGGRYGDSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCC4(C[C@@H]3F)OCCO4)C2)CC1 ZINC000892948227 591235482 /nfs/dbraw/zinc/23/54/82/591235482.db2.gz OKLVXDIJRAAGKS-XIRDDKMYSA-N 2 0 341.471 1.378 20 0 EDADRP CC(C)(C)OC(=O)N1CC(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000894261411 591253818 /nfs/dbraw/zinc/25/38/18/591253818.db2.gz SYOWALMAFRBBAU-INIZCTEOSA-N 2 0 341.496 1.680 20 0 EDADRP Cn1ccc(-c2nc(CN(CC[NH+](C)C)CC[NH+](C)C)cs2)n1 ZINC000894459157 591317620 /nfs/dbraw/zinc/31/76/20/591317620.db2.gz DXFVIMUZFGCKLQ-UHFFFAOYSA-N 2 0 336.509 1.469 20 0 EDADRP CN(Cc1c2c(nn1C)CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894460096 591318697 /nfs/dbraw/zinc/31/86/97/591318697.db2.gz SIVPTYRIWXVIQF-MRXNPFEDSA-N 2 0 331.508 1.509 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CCC[NH+]3C3CCCCC3)C[C@H]2C1 ZINC000894587329 591354208 /nfs/dbraw/zinc/35/42/08/591354208.db2.gz ADIZNIMYJWKDTB-JZXOWHBKSA-N 2 0 334.508 1.987 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](CC3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000894708153 591393757 /nfs/dbraw/zinc/39/37/57/591393757.db2.gz TXCRRLBKRFLHKZ-SFHVURJKSA-N 2 0 332.492 1.958 20 0 EDADRP CC(C)(C)c1nc(N)nc(N2CCC(C)([NH+]3CCOCC3)CC2)n1 ZINC000894759073 591405942 /nfs/dbraw/zinc/40/59/42/591405942.db2.gz VSEXKXGPFDPPEG-UHFFFAOYSA-N 2 0 334.468 1.442 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(OCC[NH+](C)C)CC2)C1 ZINC000897436362 591423817 /nfs/dbraw/zinc/42/38/17/591423817.db2.gz XOKZORZQGLFDJJ-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP CSC1(CNC(=O)N2CCC23CC[NH+](C)CC3)CC[NH+](C)CC1 ZINC000894950928 591496943 /nfs/dbraw/zinc/49/69/43/591496943.db2.gz DZEPMZLRZWJUGD-UHFFFAOYSA-N 2 0 340.537 1.694 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000897497864 591500598 /nfs/dbraw/zinc/50/05/98/591500598.db2.gz DCYMLZXUWYVMGS-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000896563514 591526416 /nfs/dbraw/zinc/52/64/16/591526416.db2.gz KYQPPBWCKZAMHT-WDSOQIARSA-N 2 0 346.519 1.820 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000895045941 591539346 /nfs/dbraw/zinc/53/93/46/591539346.db2.gz CTVWNHLLNQJGNA-INIZCTEOSA-N 2 0 326.485 1.082 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896607869 591550592 /nfs/dbraw/zinc/55/05/92/591550592.db2.gz APXMBRPRWMZCOB-GJZGRUSLSA-N 2 0 342.553 1.795 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000896842937 591630445 /nfs/dbraw/zinc/63/04/45/591630445.db2.gz ABJQUWKCKRPLIW-INIZCTEOSA-N 2 0 325.497 1.819 20 0 EDADRP CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+](C)CC1 ZINC000897854393 591697171 /nfs/dbraw/zinc/69/71/71/591697171.db2.gz FQZXUXAFFKYJKY-UHFFFAOYSA-N 2 0 334.508 1.306 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@H]1c1ccccc1 ZINC000897240680 591782731 /nfs/dbraw/zinc/78/27/31/591782731.db2.gz NPZWDUBDZLECCY-OKZBNKHCSA-N 2 0 329.444 1.269 20 0 EDADRP O=C1C[C@H]([C@@H]2CCCO2)CN1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000902197381 591943416 /nfs/dbraw/zinc/94/34/16/591943416.db2.gz WSDBNPZDKILUDG-DKKFBQAASA-N 2 0 347.503 1.920 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900214209 591944952 /nfs/dbraw/zinc/94/49/52/591944952.db2.gz BPIOVGSILHFQCK-MRXNPFEDSA-N 2 0 335.496 1.829 20 0 EDADRP Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)C[C@@H]1C)CC2 ZINC000899808604 591945751 /nfs/dbraw/zinc/94/57/51/591945751.db2.gz AETQNUREVZXXER-HOTGVXAUSA-N 2 0 339.443 1.886 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CCc2cncn2C1 ZINC000899808740 591946077 /nfs/dbraw/zinc/94/60/77/591946077.db2.gz IRMARDWALQXFIZ-CABCVRRESA-N 2 0 325.416 1.578 20 0 EDADRP CCn1ncc(CONC(=[NH2+])[C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000902323236 591978850 /nfs/dbraw/zinc/97/88/50/591978850.db2.gz ASHFPUTUZKLERC-MRXNPFEDSA-N 2 0 344.419 1.197 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902402455 591991186 /nfs/dbraw/zinc/99/11/86/591991186.db2.gz LFYPFUAZZFILGR-ZDUSSCGKSA-N 2 0 331.526 1.605 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCCn2ccnc2)cc1 ZINC000900371868 591999710 /nfs/dbraw/zinc/99/97/10/591999710.db2.gz JZLRMMHODWFQGZ-QGZVFWFLSA-N 2 0 339.443 1.962 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000900417456 592013238 /nfs/dbraw/zinc/01/32/38/592013238.db2.gz NTAKPHSQKAQIAI-LJQANCHMSA-N 2 0 337.508 1.604 20 0 EDADRP C[C@@H]1CN(C)C[C@@H](C(=O)N2C[C@@H]3CCC[N@@H+]3Cc3ccccc32)O1 ZINC000902699865 592044976 /nfs/dbraw/zinc/04/49/76/592044976.db2.gz UTNPLUPILCBYAG-HFTRVMKXSA-N 2 0 329.444 1.717 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902767322 592059319 /nfs/dbraw/zinc/05/93/19/592059319.db2.gz DZJYDADWRKWXON-NTZUZEMLSA-N 2 0 342.487 1.737 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900671465 592090415 /nfs/dbraw/zinc/09/04/15/592090415.db2.gz BIIZUPPMGBPYME-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900686273 592093835 /nfs/dbraw/zinc/09/38/35/592093835.db2.gz DTWARKFUMRIDNB-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900710253 592101292 /nfs/dbraw/zinc/10/12/92/592101292.db2.gz LVKIFZXECCDUKB-DFEOGRTESA-N 2 0 337.508 1.555 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076444 592116156 /nfs/dbraw/zinc/11/61/56/592116156.db2.gz QAACUOHOSJZRIZ-GJZGRUSLSA-N 2 0 341.496 1.869 20 0 EDADRP CO[C@@H]1CCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000903088722 592117925 /nfs/dbraw/zinc/11/79/25/592117925.db2.gz MEESCONVOOUFSM-IAGOWNOFSA-N 2 0 333.480 1.536 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)C1CC[NH+](C)CC1 ZINC000903131498 592125711 /nfs/dbraw/zinc/12/57/11/592125711.db2.gz SOLQYQKLJUQMGD-FVQBIDKESA-N 2 0 335.496 1.942 20 0 EDADRP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H]([C@H]2CCCO2)N1 ZINC000903173275 592130379 /nfs/dbraw/zinc/13/03/79/592130379.db2.gz XYWTVGRTZINJNX-FOOGKFFMSA-N 2 0 333.476 1.560 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000900824409 592138419 /nfs/dbraw/zinc/13/84/19/592138419.db2.gz LHDHHNUPWWVXMY-ROUUACIJSA-N 2 0 338.540 1.734 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)[C@@H](C)C1 ZINC000903219597 592141825 /nfs/dbraw/zinc/14/18/25/592141825.db2.gz QMHQBKLWYMFPHV-ULQDDVLXSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000903233242 592145799 /nfs/dbraw/zinc/14/57/99/592145799.db2.gz GAMRQUUBFNFPTF-CWRNSKLLSA-N 2 0 331.526 1.414 20 0 EDADRP C[C@@H]1CC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000903459654 592171766 /nfs/dbraw/zinc/17/17/66/592171766.db2.gz WDLLCAFLVOCNJC-CABCVRRESA-N 2 0 345.443 1.216 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903497221 592188177 /nfs/dbraw/zinc/18/81/77/592188177.db2.gz QMQGZEMIBZDSKI-HUUCEWRRSA-N 2 0 337.439 1.628 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000903522829 592196617 /nfs/dbraw/zinc/19/66/17/592196617.db2.gz URFDTSPDQONSPJ-MJGOQNOKSA-N 2 0 331.460 1.474 20 0 EDADRP C[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906647366 592232990 /nfs/dbraw/zinc/23/29/90/592232990.db2.gz RLXIERXADFLFCQ-MRXNPFEDSA-N 2 0 332.492 1.117 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000904366292 592242338 /nfs/dbraw/zinc/24/23/38/592242338.db2.gz HRRHIOBEQLEUOQ-INIZCTEOSA-N 2 0 334.439 1.334 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(C[NH2+]C3CC(C[NH3+])C3)cc2)C[C@H](C)O1 ZINC000904366686 592242411 /nfs/dbraw/zinc/24/24/11/592242411.db2.gz OXZMEMIALARDED-GPIMWBBRSA-N 2 0 331.460 1.763 20 0 EDADRP CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000906665446 592246861 /nfs/dbraw/zinc/24/68/61/592246861.db2.gz WBMVMYDUXJGYPZ-ZIAGYGMSSA-N 2 0 346.475 1.760 20 0 EDADRP c1ccc(COc2ccccc2CN2CC[NH2+]CC[NH2+]CC2)nc1 ZINC000904398453 592253030 /nfs/dbraw/zinc/25/30/30/592253030.db2.gz PPYSIEOPLJJDRY-UHFFFAOYSA-N 2 0 326.444 1.655 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000908010153 592261312 /nfs/dbraw/zinc/26/13/12/592261312.db2.gz SJFAKWLGTPXLFP-YFHOEESVSA-N 2 0 331.460 1.849 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]([C@@H]3CCOC3)C2)cnn1C ZINC000904473879 592268404 /nfs/dbraw/zinc/26/84/04/592268404.db2.gz UXIIVQVZCIEMBH-KZNAEPCWSA-N 2 0 334.508 1.985 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000904485105 592271892 /nfs/dbraw/zinc/27/18/92/592271892.db2.gz MBMLJLRZUPHKCC-GDBMZVCRSA-N 2 0 328.420 1.191 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000904511113 592274648 /nfs/dbraw/zinc/27/46/48/592274648.db2.gz VNCWXZXJDSBJTE-ROUUACIJSA-N 2 0 346.475 1.859 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C[C@]2(C)C1 ZINC000906707380 592279918 /nfs/dbraw/zinc/27/99/18/592279918.db2.gz TVBYDSURZXXDLQ-KUHUBIRLSA-N 2 0 344.459 1.229 20 0 EDADRP CCCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCS(=O)(=O)C1 ZINC000903718480 592280769 /nfs/dbraw/zinc/28/07/69/592280769.db2.gz NFUWKPJOZVFNOK-HOTGVXAUSA-N 2 0 344.521 1.434 20 0 EDADRP O=C(c1ccccc1)N1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723051 592283984 /nfs/dbraw/zinc/28/39/84/592283984.db2.gz SPGVLPMZHIIACB-ICSRJNTNSA-N 2 0 343.471 1.603 20 0 EDADRP O=C(NCC(F)(F)F)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723606 592284108 /nfs/dbraw/zinc/28/41/08/592284108.db2.gz WWGFWXKOSKCNHE-UKRRQHHQSA-N 2 0 349.397 1.146 20 0 EDADRP CCN1C[C@H](C[N@H+](C)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731968 592287945 /nfs/dbraw/zinc/28/79/45/592287945.db2.gz BKQALJSWPZHXSS-UWVAXJGDSA-N 2 0 345.487 1.974 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCOC2CCSCC2)C1)N1CC[NH2+]CC1 ZINC000903713340 592291261 /nfs/dbraw/zinc/29/12/61/592291261.db2.gz NMYKLNXEAVCTRE-OAHLLOKOSA-N 2 0 341.521 1.042 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC[C@@H](C(F)(F)F)O2)C1 ZINC000903713524 592291275 /nfs/dbraw/zinc/29/12/75/592291275.db2.gz ULTPLJBIGOLKIM-UPJWGTAASA-N 2 0 337.386 1.273 20 0 EDADRP c1ccc(CN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000903745614 592292131 /nfs/dbraw/zinc/29/21/31/592292131.db2.gz LJZMMAVYPZOMOO-HSALFYBXSA-N 3 0 344.503 1.794 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000904597602 592292782 /nfs/dbraw/zinc/29/27/82/592292782.db2.gz KUSUBJQODBXKND-MRXNPFEDSA-N 2 0 334.464 1.849 20 0 EDADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904602669 592293699 /nfs/dbraw/zinc/29/36/99/592293699.db2.gz STRNZAALFFPSLA-UHFFFAOYSA-N 2 0 349.479 1.364 20 0 EDADRP COc1cc(F)ccc1N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903739263 592300615 /nfs/dbraw/zinc/30/06/15/592300615.db2.gz GKIKFOGCJNHMDC-APWZRJJASA-N 2 0 349.450 1.725 20 0 EDADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739923 592301158 /nfs/dbraw/zinc/30/11/58/592301158.db2.gz BBRBSAKYUAULOM-YQVWRLOYSA-N 2 0 330.476 1.892 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903759530 592306435 /nfs/dbraw/zinc/30/64/35/592306435.db2.gz AAGXSUCSVFOGMM-KSZLIROESA-N 3 0 337.508 1.363 20 0 EDADRP CC(C)(C[NH3+])C1CC[NH+](CC(=O)NC[C@H]2Cc3ccccc3O2)CC1 ZINC000903790726 592315947 /nfs/dbraw/zinc/31/59/47/592315947.db2.gz XTBJAMUFKHZXOQ-QGZVFWFLSA-N 2 0 345.487 1.803 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000906758553 592318346 /nfs/dbraw/zinc/31/83/46/592318346.db2.gz WMKGWQXYTQXVTC-JKSUJKDBSA-N 2 0 346.475 1.486 20 0 EDADRP COCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CC[NH+](C)CC1 ZINC000903775061 592318434 /nfs/dbraw/zinc/31/84/34/592318434.db2.gz GUITWFRUHBAEAV-ROUUACIJSA-N 3 0 325.497 1.045 20 0 EDADRP COC(=O)c1cc(C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)no1 ZINC000903779083 592318776 /nfs/dbraw/zinc/31/87/76/592318776.db2.gz TZSOEUKVZIQXAT-RDTXWAMCSA-N 2 0 349.431 1.409 20 0 EDADRP CC(C)(C[NH3+])C1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000903789567 592323522 /nfs/dbraw/zinc/32/35/22/592323522.db2.gz XZSROPFJTKMXCJ-UHFFFAOYSA-N 2 0 347.459 1.728 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)[C@H]2CCc3ccccc32)cnn1C ZINC000903893179 592366713 /nfs/dbraw/zinc/36/67/13/592366713.db2.gz RXSMLXKFFHWSGI-UZLBHIALSA-N 2 0 342.487 1.828 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000903898158 592368811 /nfs/dbraw/zinc/36/88/11/592368811.db2.gz LCRFOUMKOQHJCT-SJORKVTESA-N 2 0 332.496 1.510 20 0 EDADRP c1cnn(-c2ccccc2C[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903919284 592377330 /nfs/dbraw/zinc/37/73/30/592377330.db2.gz CJLNKZNRUSEPQM-INIZCTEOSA-N 2 0 337.431 1.678 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cnn1C ZINC000903932164 592383283 /nfs/dbraw/zinc/38/32/83/592383283.db2.gz NJUQYEOSUCHWKO-LPHOPBHVSA-N 2 0 328.460 1.999 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903932963 592385531 /nfs/dbraw/zinc/38/55/31/592385531.db2.gz INLYDCZEKIOUIN-RYQLBKOJSA-N 2 0 331.464 1.595 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H](Cc3nccs3)C2)C1 ZINC000903987612 592406349 /nfs/dbraw/zinc/40/63/49/592406349.db2.gz HWAKVKWKKJPALJ-CABCVRRESA-N 2 0 336.505 1.595 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903986454 592406484 /nfs/dbraw/zinc/40/64/84/592406484.db2.gz JYGXNYHVTUGHKE-MUYFXNHWSA-N 3 0 336.524 1.570 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CC3(CO)CCCC3)C2)CC1 ZINC000905110928 592411956 /nfs/dbraw/zinc/41/19/56/592411956.db2.gz SQBHMXTXYUIOQG-SJLPKXTDSA-N 2 0 339.524 1.048 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000904279381 592467799 /nfs/dbraw/zinc/46/77/99/592467799.db2.gz UMEKELRQCLTNPR-QGZVFWFLSA-N 2 0 345.491 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000907068214 592504198 /nfs/dbraw/zinc/50/41/98/592504198.db2.gz LQOAVQOKAXUNHN-IRXDYDNUSA-N 2 0 325.497 1.462 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905330676 592507675 /nfs/dbraw/zinc/50/76/75/592507675.db2.gz WBFNNFCIBZMXQC-QGZVFWFLSA-N 2 0 339.505 1.729 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333341 592509011 /nfs/dbraw/zinc/50/90/11/592509011.db2.gz BMHAYOZXWFJQGB-HZPDHXFCSA-N 2 0 345.553 1.664 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C2CN(C)CC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000905391273 592517174 /nfs/dbraw/zinc/51/71/74/592517174.db2.gz HFGNAOMDIWQPMP-LJQANCHMSA-N 2 0 346.519 1.461 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500977 592545730 /nfs/dbraw/zinc/54/57/30/592545730.db2.gz DGHQDFOQXYKBOM-RWQQGDIJSA-N 2 0 346.475 1.480 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)Cc1ccccc1)C2 ZINC000905504872 592546913 /nfs/dbraw/zinc/54/69/13/592546913.db2.gz ZMEVAMMKEDYPQF-UEDWAMCQSA-N 2 0 332.488 1.659 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000908597579 592548349 /nfs/dbraw/zinc/54/83/49/592548349.db2.gz GOXREFKJWJGGSV-UHFFFAOYSA-N 2 0 333.476 1.713 20 0 EDADRP CC(C)[NH2+]Cc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000905816690 592653967 /nfs/dbraw/zinc/65/39/67/592653967.db2.gz RADOMRASAQFAPX-SFHVURJKSA-N 2 0 329.448 1.413 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(Cc3cccnc3)CC2)C1 ZINC000905850578 592665634 /nfs/dbraw/zinc/66/56/34/592665634.db2.gz UIFJHLZUJXVXKY-SFHVURJKSA-N 2 0 330.476 1.848 20 0 EDADRP O[C@H](CN1CCC[N@H+](Cc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000909047962 592720346 /nfs/dbraw/zinc/72/03/46/592720346.db2.gz QAEDFBIEURDEJK-IBGZPJMESA-N 2 0 335.467 1.790 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000907649315 592755463 /nfs/dbraw/zinc/75/54/63/592755463.db2.gz CJQGLNADQMLUKK-UHFFFAOYSA-N 2 0 332.492 1.960 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000909260911 592788204 /nfs/dbraw/zinc/78/82/04/592788204.db2.gz DSDQUMRJUJBQSR-QGZVFWFLSA-N 2 0 348.491 1.377 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000907805259 592788952 /nfs/dbraw/zinc/78/89/52/592788952.db2.gz IOMBEVHHQUZEOB-RYQLBKOJSA-N 2 0 335.492 1.715 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906521191 592839485 /nfs/dbraw/zinc/83/94/85/592839485.db2.gz RIFANQLOLAIZRB-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CCC[C@@H](C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1)[NH+](C)C ZINC000910863250 592897850 /nfs/dbraw/zinc/89/78/50/592897850.db2.gz ANCQOBSSYSAQSU-KRWDZBQOSA-N 2 0 327.513 1.658 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000911633405 592971018 /nfs/dbraw/zinc/97/10/18/592971018.db2.gz SKUOHWKKXZOEGM-FJIDUMEYSA-N 2 0 331.460 1.705 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CCCCC1 ZINC000911267503 592980092 /nfs/dbraw/zinc/98/00/92/592980092.db2.gz KIZKFFHMKSBZDI-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000911292885 592981929 /nfs/dbraw/zinc/98/19/29/592981929.db2.gz PXEFTOYMDGTTOY-JRBPQWBISA-N 2 0 343.471 1.174 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911743960 592994995 /nfs/dbraw/zinc/99/49/95/592994995.db2.gz FFGZZAYTEHQZTI-YLFCFFPRSA-N 2 0 343.427 1.674 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)COc2ccc(CCC[NH3+])cc2)CC1 ZINC000911864938 593024156 /nfs/dbraw/zinc/02/41/56/593024156.db2.gz WDQOEUSDDDPNTP-UHFFFAOYSA-N 2 0 333.476 1.805 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000912466145 593097098 /nfs/dbraw/zinc/09/70/98/593097098.db2.gz ULCZDLWTYFYBGI-HBFSDRIKSA-N 2 0 345.487 1.217 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccccc2OC1 ZINC000802406627 593250609 /nfs/dbraw/zinc/25/06/09/593250609.db2.gz XEWGBUPNHCZTGD-QGZVFWFLSA-N 2 0 348.491 1.515 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@H](C)C1 ZINC000839175496 593271045 /nfs/dbraw/zinc/27/10/45/593271045.db2.gz QDQINDFYXYPDLO-PMPSAXMXSA-N 2 0 326.481 1.722 20 0 EDADRP Cc1ccc(N2CC[C@H]([N@@H+](C)CCCN(C)CC[NH+](C)C)C2=O)cc1 ZINC000808781470 593287491 /nfs/dbraw/zinc/28/74/91/593287491.db2.gz HWYQFJYPISHQOJ-IBGZPJMESA-N 2 0 346.519 1.916 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H](O)c1ccc(F)c(F)c1)CC[NH+](C)C ZINC000808781863 593287897 /nfs/dbraw/zinc/28/78/97/593287897.db2.gz VANPWAHNLMNNOT-QGZVFWFLSA-N 2 0 329.435 1.814 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810395292 593398236 /nfs/dbraw/zinc/39/82/36/593398236.db2.gz LBOXLFGFLVXPOV-SFHVURJKSA-N 2 0 343.487 1.768 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NCc1cccnc1-n1ccnc1 ZINC000817152514 593577257 /nfs/dbraw/zinc/57/72/57/593577257.db2.gz FJBOBRCECAITOB-OAHLLOKOSA-N 2 0 328.420 1.503 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817891124 593645745 /nfs/dbraw/zinc/64/57/45/593645745.db2.gz GOKJYKSMLALMQP-UWVGGRQHSA-N 2 0 331.404 1.263 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(O)CCc3ccccc32)CC[NH2+]CC1 ZINC000817917263 593648525 /nfs/dbraw/zinc/64/85/25/593648525.db2.gz NXYRUHIBHKJWAY-MGPUTAFESA-N 2 0 346.471 1.731 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000817935442 593650333 /nfs/dbraw/zinc/65/03/33/593650333.db2.gz OHUCQDHLWORAJZ-JQHSSLGASA-N 2 0 348.487 1.950 20 0 EDADRP Cc1ccc([C@@H](O)C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000818960464 593730555 /nfs/dbraw/zinc/73/05/55/593730555.db2.gz DYGGNLFDDPVNAZ-IBGZPJMESA-N 2 0 340.471 1.965 20 0 EDADRP Cc1ccccc1[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000818980647 593731997 /nfs/dbraw/zinc/73/19/97/593731997.db2.gz GSKSSAFILLFXSZ-LJQANCHMSA-N 2 0 340.471 1.965 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000818980555 593732089 /nfs/dbraw/zinc/73/20/89/593732089.db2.gz LCITWMDMEHWGLG-WMLDXEAASA-N 2 0 340.489 1.445 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000818981319 593732197 /nfs/dbraw/zinc/73/21/97/593732197.db2.gz RGSYIHLEOYUGGB-SFHVURJKSA-N 2 0 326.444 1.657 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000819233950 593745886 /nfs/dbraw/zinc/74/58/86/593745886.db2.gz OMUTYQRSCWVBAB-IOJLRTSASA-N 2 0 347.503 1.015 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823697381 593836968 /nfs/dbraw/zinc/83/69/68/593836968.db2.gz KKZGPRIGRKDDAJ-IAGOWNOFSA-N 2 0 342.447 1.334 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625929 593887224 /nfs/dbraw/zinc/88/72/24/593887224.db2.gz YOMDVYUGMQCKFT-BRWVUGGUSA-N 2 0 342.447 1.316 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821189483 593986247 /nfs/dbraw/zinc/98/62/47/593986247.db2.gz MSZYUYFNQKAMOR-MRXNPFEDSA-N 2 0 344.463 1.799 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821266463 594002004 /nfs/dbraw/zinc/00/20/04/594002004.db2.gz DGZQWQKGGCYQSH-ZDUSSCGKSA-N 2 0 349.508 1.291 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCN2CCCO)C1 ZINC000824565551 594039292 /nfs/dbraw/zinc/03/92/92/594039292.db2.gz YJLHNXLNVFUDLW-RBSFLKMASA-N 2 0 348.434 1.790 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(-c4coc(C[NH3+])c4)n3)c2)CC1 ZINC000822980044 594131284 /nfs/dbraw/zinc/13/12/84/594131284.db2.gz BXUUXVNSSFRXFP-UHFFFAOYSA-N 2 0 340.387 1.602 20 0 EDADRP CC(C)[C@@H](c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)[C@H](C)[NH3+] ZINC000822980202 594131430 /nfs/dbraw/zinc/13/14/30/594131430.db2.gz FXHGCJPFUGNIJZ-XJKSGUPXSA-N 2 0 344.463 1.970 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000825963721 594292889 /nfs/dbraw/zinc/29/28/89/594292889.db2.gz FAHTZMKXPONACB-OAGGEKHMSA-N 2 0 328.501 1.467 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864683 594293274 /nfs/dbraw/zinc/29/32/74/594293274.db2.gz XHBYBBALBURIKX-SFHVURJKSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000830345630 594379728 /nfs/dbraw/zinc/37/97/28/594379728.db2.gz KVXCLTDRPZYRKG-MAUKXSAKSA-N 2 0 330.476 1.441 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)COC3CC[NH+](C)CC3)C2)cc1 ZINC000828314521 594389594 /nfs/dbraw/zinc/38/95/94/594389594.db2.gz JLXVDPIFTUHLDP-GOSISDBHSA-N 2 0 345.487 1.796 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000831138126 594566413 /nfs/dbraw/zinc/56/64/13/594566413.db2.gz LDXQUJAWTXUMPF-HOTGVXAUSA-N 2 0 326.485 1.183 20 0 EDADRP C[C@@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000831267932 594595697 /nfs/dbraw/zinc/59/56/97/594595697.db2.gz SANYYYZRAGNHAQ-IAGOWNOFSA-N 2 0 339.528 1.173 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CC[C@@H]21 ZINC000827256767 594656833 /nfs/dbraw/zinc/65/68/33/594656833.db2.gz XRAUMOXUOMMOLE-ZACQAIPSSA-N 2 0 337.533 1.757 20 0 EDADRP C[C@H](C(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000827322455 594661036 /nfs/dbraw/zinc/66/10/36/594661036.db2.gz ZSYCHDOUAJXUFU-MNEFBYGVSA-N 2 0 327.472 1.986 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000841017655 594839862 /nfs/dbraw/zinc/83/98/62/594839862.db2.gz HLZACSBTQUTOJK-FVQHAEBGSA-N 2 0 329.448 1.168 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000841020469 594840882 /nfs/dbraw/zinc/84/08/82/594840882.db2.gz RQQGQQGRMDYWJO-UONOGXRCSA-N 2 0 332.448 1.635 20 0 EDADRP Ic1ccccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841041659 594843284 /nfs/dbraw/zinc/84/32/84/594843284.db2.gz DFBASKSFIDGIIF-UHFFFAOYSA-N 2 0 345.228 1.286 20 0 EDADRP [NH3+]C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc2ccccc2c1 ZINC000841850323 594965156 /nfs/dbraw/zinc/96/51/56/594965156.db2.gz LDZXUNUNNZDIFF-MSOLQXFVSA-N 2 0 327.428 1.724 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000841897546 594976325 /nfs/dbraw/zinc/97/63/25/594976325.db2.gz ZRRRJFXCUBQCME-PKOBYXMFSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCCCC1 ZINC000842015429 595003118 /nfs/dbraw/zinc/00/31/18/595003118.db2.gz LHJKTBMTHRCHBM-GOEBONIOSA-N 2 0 338.496 1.001 20 0 EDADRP CC[C@H](C)C[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1=O ZINC000843310286 595070477 /nfs/dbraw/zinc/07/04/77/595070477.db2.gz IFXHFECEGHRUEZ-NUEKZKHPSA-N 2 0 336.480 1.512 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843333065 595077455 /nfs/dbraw/zinc/07/74/55/595077455.db2.gz UMUTXOLZXMKWNO-MIGQKNRLSA-N 2 0 329.400 1.284 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)CCc1ccccc1 ZINC000843339849 595079978 /nfs/dbraw/zinc/07/99/78/595079978.db2.gz HKYLALPXKMEEEI-RCCFBDPRSA-N 2 0 336.501 1.622 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843476700 595123863 /nfs/dbraw/zinc/12/38/63/595123863.db2.gz JPPZQAIKUMPISB-INIZCTEOSA-N 2 0 337.439 1.485 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000834776398 595208757 /nfs/dbraw/zinc/20/87/57/595208757.db2.gz ZGAVVJZANAVJTD-UHFFFAOYSA-N 2 0 333.480 1.582 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)n1 ZINC000834805402 595217724 /nfs/dbraw/zinc/21/77/24/595217724.db2.gz RLSJCCZJCBKVPB-GUTXKFCHSA-N 2 0 336.867 1.891 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000843073422 595281012 /nfs/dbraw/zinc/28/10/12/595281012.db2.gz PMPKJTVNIVJZQI-RHSMWYFYSA-N 2 0 328.403 1.825 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000844170958 595290355 /nfs/dbraw/zinc/29/03/55/595290355.db2.gz VPVCQZCSDSMPHU-MSOLQXFVSA-N 2 0 331.460 1.708 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173307 595291383 /nfs/dbraw/zinc/29/13/83/595291383.db2.gz TZNXUPVHQIGMAS-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844172824 595291494 /nfs/dbraw/zinc/29/14/94/595291494.db2.gz ZFSQPWQSMOABGE-LJQANCHMSA-N 2 0 345.487 1.844 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844177659 595293461 /nfs/dbraw/zinc/29/34/61/595293461.db2.gz PZZMTAOJXCFHST-MRXNPFEDSA-N 2 0 348.447 1.284 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844184349 595295709 /nfs/dbraw/zinc/29/57/09/595295709.db2.gz JWSBCKWXCPNKOR-MOPGFXCFSA-N 2 0 345.487 1.736 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844184352 595295712 /nfs/dbraw/zinc/29/57/12/595295712.db2.gz JWSBCKWXCPNKOR-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843187337 595301280 /nfs/dbraw/zinc/30/12/80/595301280.db2.gz NKBGXCXGSWBJOM-CYBMUJFWSA-N 2 0 332.404 1.208 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)C[C@@H]2C1 ZINC000848103278 595318994 /nfs/dbraw/zinc/31/89/94/595318994.db2.gz LFRYRPUAMSMYKE-IKGGRYGDSA-N 2 0 337.533 1.614 20 0 EDADRP C[NH+](C)[C@H]1CCC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000846875530 595330518 /nfs/dbraw/zinc/33/05/18/595330518.db2.gz SKOBRPWPSPRUOV-YJBOKZPZSA-N 2 0 341.496 1.774 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC[NH+]1CCCC1 ZINC000845109469 595443414 /nfs/dbraw/zinc/44/34/14/595443414.db2.gz ZOYWLEDZWDFNFH-AWEZNQCLSA-N 2 0 342.484 1.043 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848894176 595464358 /nfs/dbraw/zinc/46/43/58/595464358.db2.gz CMEDMLWPSMVQOK-KXPUMZMLSA-N 2 0 349.475 1.829 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848900782 595464866 /nfs/dbraw/zinc/46/48/66/595464866.db2.gz QGFXAENJAJJJLJ-BQYQJAHWSA-N 2 0 335.448 1.583 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848915389 595467622 /nfs/dbraw/zinc/46/76/22/595467622.db2.gz VSYVBNSZGKMIKO-HJWRWDBZSA-N 2 0 349.475 1.972 20 0 EDADRP CNC(=O)CCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071900 595477928 /nfs/dbraw/zinc/47/79/28/595477928.db2.gz OXQVZWFDSPKMFQ-UHFFFAOYSA-N 2 0 331.464 1.291 20 0 EDADRP COc1ccc(NC(=[NH2+])NCC(=O)NCC[NH+]2CCCCCC2)cc1 ZINC000849103267 595482054 /nfs/dbraw/zinc/48/20/54/595482054.db2.gz JQDKWSSPUWZSHR-UHFFFAOYSA-N 2 0 347.463 1.624 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NC3CCC3)cc2)CC1 ZINC000849111075 595483758 /nfs/dbraw/zinc/48/37/58/595483758.db2.gz SRGUNHXWQQCYRQ-UHFFFAOYSA-N 2 0 329.492 1.991 20 0 EDADRP O=C1[C@@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753445 595526731 /nfs/dbraw/zinc/52/67/31/595526731.db2.gz BEDGVIPMLKRUIC-AEFFLSMTSA-N 2 0 335.492 1.478 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849540976 595559804 /nfs/dbraw/zinc/55/98/04/595559804.db2.gz KLPZJIWGGLVARR-ZWKOTPCHSA-N 2 0 349.523 1.694 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000849545177 595560642 /nfs/dbraw/zinc/56/06/42/595560642.db2.gz LNRSDFYKMLBAPU-MSOLQXFVSA-N 2 0 345.491 1.152 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549744 595561985 /nfs/dbraw/zinc/56/19/85/595561985.db2.gz WNKZXMOAZJFNDF-CGTJXYLNSA-N 2 0 347.507 1.256 20 0 EDADRP CC[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000852858871 595580994 /nfs/dbraw/zinc/58/09/94/595580994.db2.gz JTCKBDXGQRMAGV-HOTGVXAUSA-N 2 0 330.432 1.043 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849583031 595581660 /nfs/dbraw/zinc/58/16/60/595581660.db2.gz QYCQEFXQZVSQRB-IAGOWNOFSA-N 2 0 347.507 1.398 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000852906544 595609219 /nfs/dbraw/zinc/60/92/19/595609219.db2.gz HWCIOCRGEGAHBZ-BZSNNMDCSA-N 2 0 331.460 1.774 20 0 EDADRP Fc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)ccn1 ZINC000858126331 595705859 /nfs/dbraw/zinc/70/58/59/595705859.db2.gz XXGPMMYLDRBBDT-UHFFFAOYSA-N 2 0 344.438 1.703 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000851665849 595875317 /nfs/dbraw/zinc/87/53/17/595875317.db2.gz DDVCMTALXILZJI-UONOGXRCSA-N 2 0 330.423 1.405 20 0 EDADRP NC(=O)[C@@](O)(C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000851779378 595920333 /nfs/dbraw/zinc/92/03/33/595920333.db2.gz SXDDRJJTXSVAMP-IEBWSBKVSA-N 2 0 331.460 1.310 20 0 EDADRP CC(C)n1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1Cl ZINC000859222904 596009036 /nfs/dbraw/zinc/00/90/36/596009036.db2.gz OVAVHHRKXPDMPH-UHFFFAOYSA-N 2 0 329.876 1.683 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000861539653 596020144 /nfs/dbraw/zinc/02/01/44/596020144.db2.gz OXCZCQDVTWLEQO-HUUCEWRRSA-N 2 0 346.475 1.663 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N(C[C@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000854334909 596039843 /nfs/dbraw/zinc/03/98/43/596039843.db2.gz URHRSOIMBXWRHY-DOTOQJQBSA-N 2 0 339.524 1.658 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)NC[C@@H]1COCC[NH2+]1 ZINC000861601110 596044059 /nfs/dbraw/zinc/04/40/59/596044059.db2.gz OCGRZXMBAAOQTJ-MRXNPFEDSA-N 2 0 326.485 1.320 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857183181 596178296 /nfs/dbraw/zinc/17/82/96/596178296.db2.gz CIRJVQVJUWBHRD-ICSRJNTNSA-N 2 0 347.503 1.928 20 0 EDADRP C[C@H]1C[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)CC[N@@H+]1C ZINC000866520532 596238697 /nfs/dbraw/zinc/23/86/97/596238697.db2.gz DRCJXRYRFANFJV-XJKSGUPXSA-N 2 0 330.432 1.311 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866705853 596301673 /nfs/dbraw/zinc/30/16/73/596301673.db2.gz CQQVJKKFIYBSPR-LJQANCHMSA-N 2 0 338.540 1.672 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CC[NH2+]CC3CC3)ccc2oc1=O ZINC000870876039 596386314 /nfs/dbraw/zinc/38/63/14/596386314.db2.gz UPHCLLKQTGEFAY-UHFFFAOYSA-N 2 0 346.431 1.484 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000870880609 596387499 /nfs/dbraw/zinc/38/74/99/596387499.db2.gz FFEJEESWOGMHTG-GUDVDZBRSA-N 2 0 344.503 1.609 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000870879670 596387741 /nfs/dbraw/zinc/38/77/41/596387741.db2.gz LGAHMYRGTXGTBW-AWEZNQCLSA-N 2 0 334.489 1.920 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907495 596398763 /nfs/dbraw/zinc/39/87/63/596398763.db2.gz WSNAKSDRRNSTNM-BXUZGUMPSA-N 2 0 334.489 1.823 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000870923618 596407354 /nfs/dbraw/zinc/40/73/54/596407354.db2.gz LWJJFHMNGUXNHD-BRSBDYLESA-N 2 0 336.524 1.521 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CCCO1 ZINC000870944322 596414134 /nfs/dbraw/zinc/41/41/34/596414134.db2.gz AHAFUCGJZKEOTI-QWHCGFSZSA-N 2 0 342.237 1.025 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CCCO1 ZINC000870944319 596414242 /nfs/dbraw/zinc/41/42/42/596414242.db2.gz AHAFUCGJZKEOTI-OLZOCXBDSA-N 2 0 342.237 1.025 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[NH2+]1 ZINC000870947062 596415499 /nfs/dbraw/zinc/41/54/99/596415499.db2.gz WYNQLGKDKGZZET-LBPRGKRZSA-N 2 0 326.238 1.659 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000870956563 596417821 /nfs/dbraw/zinc/41/78/21/596417821.db2.gz XXYRIDUMZURUPI-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)CC[C@@H]21 ZINC000870980670 596427595 /nfs/dbraw/zinc/42/75/95/596427595.db2.gz ANWBMZZGZBHBTB-HIFRSBDPSA-N 2 0 334.489 1.776 20 0 EDADRP C[NH+]1CCC(NC(=S)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000865250253 596524492 /nfs/dbraw/zinc/52/44/92/596524492.db2.gz SPXKNJOGTVJPLY-UHFFFAOYSA-N 2 0 336.509 1.530 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000867810316 596562722 /nfs/dbraw/zinc/56/27/22/596562722.db2.gz YLYARSGUBZRPMP-DOTOQJQBSA-N 2 0 337.489 1.463 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863551052 596615168 /nfs/dbraw/zinc/61/51/68/596615168.db2.gz CKXBGCYTMKBADE-HZPDHXFCSA-N 2 0 341.496 1.680 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000867972531 596640290 /nfs/dbraw/zinc/64/02/90/596640290.db2.gz CUZBBLGAHPNVCG-JSGCOSHPSA-N 2 0 326.238 1.646 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@H](F)[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000863664064 596649440 /nfs/dbraw/zinc/64/94/40/596649440.db2.gz QELLQEDITCELLZ-TZMCWYRMSA-N 2 0 335.383 1.692 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000865818758 596696970 /nfs/dbraw/zinc/69/69/70/596696970.db2.gz ZSBLVLSMPHHYDT-HNNXBMFYSA-N 2 0 339.505 1.600 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870016858 596708765 /nfs/dbraw/zinc/70/87/65/596708765.db2.gz DEIPHQKSZKZKIB-ZIAGYGMSSA-N 2 0 335.496 1.519 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H](O)CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870018376 596710118 /nfs/dbraw/zinc/71/01/18/596710118.db2.gz PJAOJXJYVOJECJ-OAGGEKHMSA-N 2 0 327.513 1.371 20 0 EDADRP Cc1csc([C@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870018404 596710129 /nfs/dbraw/zinc/71/01/29/596710129.db2.gz PTNZHLYQGBAFSY-RRFJBIMHSA-N 2 0 338.521 1.753 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cc(C3CC3)no2)C[C@H]1C[NH+](C)C ZINC000870018287 596710238 /nfs/dbraw/zinc/71/02/38/596710238.db2.gz ZQWAHLUUHOLMLW-HUUCEWRRSA-N 2 0 334.464 1.292 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@H]1C[NH+](C)C ZINC000870018619 596710785 /nfs/dbraw/zinc/71/07/85/596710785.db2.gz UDPOKWHSYHMNPV-HZPDHXFCSA-N 3 0 329.448 1.146 20 0 EDADRP COCc1cccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870019887 596711334 /nfs/dbraw/zinc/71/13/34/596711334.db2.gz UYTOHLRLJGNCSL-RTBURBONSA-N 2 0 347.503 1.573 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cccnn32)C[C@H]1C[NH+](C)C ZINC000870022503 596712514 /nfs/dbraw/zinc/71/25/14/596712514.db2.gz UJXQHYVYPLLPRK-HUUCEWRRSA-N 2 0 329.448 1.146 20 0 EDADRP Cc1ccc(/C=C/C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000870022160 596712588 /nfs/dbraw/zinc/71/25/88/596712588.db2.gz PRMYQELTBSVFKD-RKQNLGICSA-N 2 0 330.476 1.601 20 0 EDADRP COCc1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000870023078 596713086 /nfs/dbraw/zinc/71/30/86/596713086.db2.gz KUOMCGWNMSFDND-CHWSQXEVSA-N 2 0 340.493 1.101 20 0 EDADRP Cc1ccn(C[C@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870024469 596713976 /nfs/dbraw/zinc/71/39/76/596713976.db2.gz CPAALXGSKUQQIW-USXIJHARSA-N 2 0 335.496 1.025 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000868184209 596714702 /nfs/dbraw/zinc/71/47/02/596714702.db2.gz KDGMULFZMNJXJJ-ZWKOTPCHSA-N 2 0 344.459 1.830 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000868185966 596715532 /nfs/dbraw/zinc/71/55/32/596715532.db2.gz DSNCFENYAFVQSC-VVLHAWIVSA-N 2 0 330.432 1.486 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCCC3)ncn2)C[C@H]1C[NH+](C)C ZINC000866012796 596758151 /nfs/dbraw/zinc/75/81/51/596758151.db2.gz QNKNIYBGYBFRSP-IAGOWNOFSA-N 2 0 346.523 1.643 20 0 EDADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144694 596809900 /nfs/dbraw/zinc/80/99/00/596809900.db2.gz DQFMGUAJLAHAMN-HZPDHXFCSA-N 2 0 347.507 1.814 20 0 EDADRP CC(C)c1cc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)[nH]n1 ZINC000872146435 596810527 /nfs/dbraw/zinc/81/05/27/596810527.db2.gz NJWMICNWRHUUOH-HNNXBMFYSA-N 2 0 333.480 1.534 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000875709903 596955344 /nfs/dbraw/zinc/95/53/44/596955344.db2.gz MAHRNPLQOGHNJN-UONOGXRCSA-N 2 0 326.485 1.004 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000874467255 597093091 /nfs/dbraw/zinc/09/30/91/597093091.db2.gz ICSFRJGGPLSBLB-MSOLQXFVSA-N 2 0 335.492 1.763 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518346 597227783 /nfs/dbraw/zinc/22/77/83/597227783.db2.gz PNUCDLLWQGVDDV-KRWDZBQOSA-N 2 0 341.459 1.547 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000876520279 597228477 /nfs/dbraw/zinc/22/84/77/597228477.db2.gz HULFEBDEVYKFNA-MRXNPFEDSA-N 2 0 345.443 1.876 20 0 EDADRP CCC(=O)N1CCC([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000873218505 597231190 /nfs/dbraw/zinc/23/11/90/597231190.db2.gz IEBOKBWTTUKCPJ-UHFFFAOYSA-N 2 0 342.447 1.217 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1)C(C)C ZINC000874986778 597231957 /nfs/dbraw/zinc/23/19/57/597231957.db2.gz WKBQOPVKQNVJRE-UHFFFAOYSA-N 2 0 340.512 1.164 20 0 EDADRP Cc1ncc([C@H](C)[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)c(C)n1 ZINC000873247673 597239662 /nfs/dbraw/zinc/23/96/62/597239662.db2.gz RRKQGROXEORRBZ-LBPRGKRZSA-N 2 0 337.431 1.984 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000875072594 597270485 /nfs/dbraw/zinc/27/04/85/597270485.db2.gz CJBIVWQGWVNSFH-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+]2CCCCC2)cc1 ZINC000876710864 597298167 /nfs/dbraw/zinc/29/81/67/597298167.db2.gz PPBIPXRNWTYYHM-ZWKOTPCHSA-N 2 0 348.491 1.227 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000876712950 597300369 /nfs/dbraw/zinc/30/03/69/597300369.db2.gz VAMFXYMAGBRPSZ-MRXNPFEDSA-N 2 0 333.480 1.722 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876719509 597303692 /nfs/dbraw/zinc/30/36/92/597303692.db2.gz NBZVZTKMFFADKV-HOTGVXAUSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCC(C)CC1 ZINC000875171294 597313271 /nfs/dbraw/zinc/31/32/71/597313271.db2.gz QHZLFWRBYMHUEJ-HOTGVXAUSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876742378 597317520 /nfs/dbraw/zinc/31/75/20/597317520.db2.gz XKTFDNPYFCVWBW-XGUBFFRZSA-N 2 0 329.435 1.939 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000876755655 597323461 /nfs/dbraw/zinc/32/34/61/597323461.db2.gz WFFIPRMRVQXIEE-JKSUJKDBSA-N 2 0 331.464 1.330 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000876772646 597334193 /nfs/dbraw/zinc/33/41/93/597334193.db2.gz PKDKESDFYJOPLY-GJZGRUSLSA-N 2 0 335.496 1.822 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876779546 597337683 /nfs/dbraw/zinc/33/76/83/597337683.db2.gz IXGNOASQPKLAQL-GOSISDBHSA-N 2 0 332.448 1.146 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)c3cnc(C[NH3+])nc3)cc2)CC1 ZINC000876780300 597337737 /nfs/dbraw/zinc/33/77/37/597337737.db2.gz UHXISAGHCUWHLG-UHFFFAOYSA-N 2 0 340.431 1.330 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780321 597338121 /nfs/dbraw/zinc/33/81/21/597338121.db2.gz UKKZYNPQDFESNZ-YOEHRIQHSA-N 2 0 334.439 1.715 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793825 597342007 /nfs/dbraw/zinc/34/20/07/597342007.db2.gz WPUMZQYBWWSESB-QGZVFWFLSA-N 2 0 330.476 1.048 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000876846031 597357266 /nfs/dbraw/zinc/35/72/66/597357266.db2.gz LHQHKPWOGZEWPB-QGZVFWFLSA-N 2 0 331.460 1.348 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876846683 597357547 /nfs/dbraw/zinc/35/75/47/597357547.db2.gz DVVBUCAFPSHJFH-CJNGLKHVSA-N 2 0 325.403 1.664 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000876856021 597360228 /nfs/dbraw/zinc/36/02/28/597360228.db2.gz ACYYJRIBLPSHPR-OAHLLOKOSA-N 2 0 331.464 1.332 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876887308 597370020 /nfs/dbraw/zinc/37/00/20/597370020.db2.gz RICMBNZNLPXEML-MJGOQNOKSA-N 2 0 328.460 1.946 20 0 EDADRP O=C([C@@H](F)[C@@H]1CC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000876889928 597371175 /nfs/dbraw/zinc/37/11/75/597371175.db2.gz RGBWHOPXBQVDEA-SJORKVTESA-N 2 0 341.471 1.285 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875306320 597378103 /nfs/dbraw/zinc/37/81/03/597378103.db2.gz NLLNKTCFHIXZCR-JKSUJKDBSA-N 2 0 340.512 1.395 20 0 EDADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000876962334 597398701 /nfs/dbraw/zinc/39/87/01/597398701.db2.gz PNOCVAHBQRBTMC-CWIOURORSA-N 2 0 342.487 1.966 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1(C)C ZINC000876966863 597400756 /nfs/dbraw/zinc/40/07/56/597400756.db2.gz XUNVBBOLAARGOX-RBSFLKMASA-N 2 0 341.496 1.725 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1(C)C ZINC000876966864 597400785 /nfs/dbraw/zinc/40/07/85/597400785.db2.gz XUNVBBOLAARGOX-RRFJBIMHSA-N 2 0 341.496 1.725 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000875368901 597403336 /nfs/dbraw/zinc/40/33/36/597403336.db2.gz BFNAXYFWYRFNSS-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP CC[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCO1 ZINC000875425283 597423451 /nfs/dbraw/zinc/42/34/51/597423451.db2.gz NTLLRWBXGFXBEI-NCOADZHNSA-N 2 0 340.512 1.325 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000877080672 597427784 /nfs/dbraw/zinc/42/77/84/597427784.db2.gz GMLXZHRRPOBUDY-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000877143499 597442138 /nfs/dbraw/zinc/44/21/38/597442138.db2.gz QERGNSIOGDNBKD-BSDSXHPESA-N 3 0 338.540 1.210 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000877200655 597460086 /nfs/dbraw/zinc/46/00/86/597460086.db2.gz OUQJUMHMPRVHKZ-UHFFFAOYSA-N 2 0 348.495 1.443 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000877224569 597466456 /nfs/dbraw/zinc/46/64/56/597466456.db2.gz JHKXZLLFVKLRFK-PKOBYXMFSA-N 2 0 345.487 1.533 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)C[NH2+]CC2CC2)C1 ZINC000877231664 597470558 /nfs/dbraw/zinc/47/05/58/597470558.db2.gz QEVALCHEGJZQJY-SFHVURJKSA-N 2 0 331.460 1.312 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000877244557 597477264 /nfs/dbraw/zinc/47/72/64/597477264.db2.gz ZSOBYEBTCLMORR-QAQDUYKDSA-N 2 0 330.476 1.361 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[NH+]2CCCC2)[C@H](c2ccccc2)C1 ZINC000873986154 597479625 /nfs/dbraw/zinc/47/96/25/597479625.db2.gz KTGLQOXLYYBCRG-IBGZPJMESA-N 2 0 344.503 1.577 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877353266 597499089 /nfs/dbraw/zinc/49/90/89/597499089.db2.gz OQTOFHQHYGVMAS-ZSXPUABSSA-N 2 0 339.483 1.967 20 0 EDADRP Cc1cccc2ncc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n21 ZINC000877669450 597546378 /nfs/dbraw/zinc/54/63/78/597546378.db2.gz JWKFMVIEXQAOSL-IAGOWNOFSA-N 2 0 329.492 1.814 20 0 EDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000877711506 597549340 /nfs/dbraw/zinc/54/93/40/597549340.db2.gz MDBBYGYVXAFTQR-UHFFFAOYSA-N 2 0 331.507 1.748 20 0 EDADRP Cn1nnnc1C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000877781511 597555921 /nfs/dbraw/zinc/55/59/21/597555921.db2.gz KJUOHYGIZUGLMP-UHFFFAOYSA-N 2 0 344.463 1.530 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCNC3=O)CC2)cc1 ZINC000877783214 597556069 /nfs/dbraw/zinc/55/60/69/597556069.db2.gz JTHJOAKFMJODDF-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000878311712 597594594 /nfs/dbraw/zinc/59/45/94/597594594.db2.gz VMAUSIFYDXOROM-WOJBJXKFSA-N 2 0 349.519 1.429 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)CC2(O)CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000878324351 597595532 /nfs/dbraw/zinc/59/55/32/597595532.db2.gz LLKSQUVBIOGGJC-SQNIBIBYSA-N 2 0 339.524 1.000 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1nnnn1C ZINC000878422435 597600745 /nfs/dbraw/zinc/60/07/45/597600745.db2.gz KSGVRFFRKDRZKF-HWWDLCQESA-N 2 0 328.464 1.499 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cccc2c1CCOC2)C(=O)NCC[NH+](C)C ZINC000883076467 597640497 /nfs/dbraw/zinc/64/04/97/597640497.db2.gz DUGBJJRYJBXULH-IBGZPJMESA-N 2 0 347.503 1.941 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](c2cccs2)C(C)(C)CO)CC1 ZINC000878621563 597657884 /nfs/dbraw/zinc/65/78/84/597657884.db2.gz DFQLHGAMVFXTOG-MRXNPFEDSA-N 2 0 339.505 1.608 20 0 EDADRP C[C@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000881632153 597665258 /nfs/dbraw/zinc/66/52/58/597665258.db2.gz KWZOACJALGNLDZ-HOCLYGCPSA-N 2 0 334.489 1.556 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000883323249 597713774 /nfs/dbraw/zinc/71/37/74/597713774.db2.gz JNOBTQQMSPXIFJ-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883400563 597732550 /nfs/dbraw/zinc/73/25/50/597732550.db2.gz PSVGXTFGZRKMCL-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP CN(C[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000878864329 597738055 /nfs/dbraw/zinc/73/80/55/597738055.db2.gz YKLYUBRBTJMVCG-OAHLLOKOSA-N 2 0 341.496 1.632 20 0 EDADRP CC(C)(O)[C@@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@@H](C(C)(C)O)C2)C1 ZINC000879964303 597787225 /nfs/dbraw/zinc/78/72/25/597787225.db2.gz WQVSPEKXGWMSHG-HZPDHXFCSA-N 2 0 342.524 1.313 20 0 EDADRP CC[NH2+]CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586365 597814282 /nfs/dbraw/zinc/81/42/82/597814282.db2.gz KMLFHLKSTKKKPN-KRWDZBQOSA-N 2 0 331.464 1.702 20 0 EDADRP C[N@H+](C[C@H](O)CN1CC[NH+](CCCOC(C)(C)C)CC1)C1CC1 ZINC000880415420 597926898 /nfs/dbraw/zinc/92/68/98/597926898.db2.gz NFDVTZSFJIDOLX-KRWDZBQOSA-N 2 0 327.513 1.264 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[NH+](CCCOC(C)(C)C)CC1 ZINC000880415331 597927061 /nfs/dbraw/zinc/92/70/61/597927061.db2.gz KBVKMZIUMPZBBI-KRWDZBQOSA-N 2 0 329.529 1.510 20 0 EDADRP C[NH+](C)C1(C(=O)NCCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000882380500 597951266 /nfs/dbraw/zinc/95/12/66/597951266.db2.gz FQRKLBXAGIEQAX-UHFFFAOYSA-N 2 0 345.487 1.614 20 0 EDADRP CCCCNC(=O)NC(=O)C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568560 597966671 /nfs/dbraw/zinc/96/66/71/597966671.db2.gz CHNZFGAYEDLAGG-MRXNPFEDSA-N 2 0 343.431 1.840 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000884010544 597967960 /nfs/dbraw/zinc/96/79/60/597967960.db2.gz FRZWIELBKSZQDK-QGZVFWFLSA-N 2 0 343.427 1.723 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000882496165 597977497 /nfs/dbraw/zinc/97/74/97/597977497.db2.gz YPYOWBXVUMDOLY-KBPBESRZSA-N 2 0 342.484 1.042 20 0 EDADRP CCN(CC)C(=O)CN1CCCN(C(=O)[C@H](CC(C)C)[NH2+]C)CC1 ZINC000884185052 598017878 /nfs/dbraw/zinc/01/78/78/598017878.db2.gz JCDLSQJCVYPFDV-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]([NH3+])CC2CC2)c1 ZINC000884187687 598019518 /nfs/dbraw/zinc/01/95/18/598019518.db2.gz MEZHTJQHJMTINJ-QGZVFWFLSA-N 2 0 346.475 1.824 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000884212318 598030798 /nfs/dbraw/zinc/03/07/98/598030798.db2.gz BMBFZULCKGHVSR-INIZCTEOSA-N 2 0 331.460 1.985 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884265909 598047906 /nfs/dbraw/zinc/04/79/06/598047906.db2.gz WYLFKDYBOOQRPL-STQMWFEESA-N 2 0 326.238 1.707 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000884316939 598063726 /nfs/dbraw/zinc/06/37/26/598063726.db2.gz HEWATAYEDQDLJP-OAHLLOKOSA-N 2 0 340.427 1.689 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000884336857 598073310 /nfs/dbraw/zinc/07/33/10/598073310.db2.gz YEZWZAAGIFARBQ-AEFFLSMTSA-N 2 0 331.460 1.889 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884404199 598095145 /nfs/dbraw/zinc/09/51/45/598095145.db2.gz FUDGKGINNVBFIB-KSZLIROESA-N 2 0 331.460 1.774 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000884452750 598109397 /nfs/dbraw/zinc/10/93/97/598109397.db2.gz XATFNUXOIBGHAH-UHFFFAOYSA-N 2 0 339.439 1.861 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000884517617 598126412 /nfs/dbraw/zinc/12/64/12/598126412.db2.gz SHXYZENSEVVKFU-YOEHRIQHSA-N 2 0 346.475 1.091 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000914160679 695172495 /nfs/dbraw/zinc/17/24/95/695172495.db2.gz ISEKGDJWPNETKN-CRAIPNDOSA-N 2 0 345.491 1.858 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914316496 695353446 /nfs/dbraw/zinc/35/34/46/695353446.db2.gz VCWCWVPWWLZGKY-DLBZAZTESA-N 2 0 333.480 1.858 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncccn3)[C@@H]2C1 ZINC000992904973 695440746 /nfs/dbraw/zinc/44/07/46/695440746.db2.gz IHUHYZCEGOUURC-GVDBMIGSSA-N 2 0 343.475 1.289 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH+]1C ZINC000925411566 695530623 /nfs/dbraw/zinc/53/06/23/695530623.db2.gz OREPILGPXQURGR-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000914444348 695549281 /nfs/dbraw/zinc/54/92/81/695549281.db2.gz TVDRZOGALQPXHV-SOLBZPMBSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccnn1C ZINC000993927395 696446853 /nfs/dbraw/zinc/44/68/53/696446853.db2.gz LZXJFWVFABIOHH-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C[NH+](C)C ZINC000916865171 696800678 /nfs/dbraw/zinc/80/06/78/696800678.db2.gz JGTAIAQZYOTGGF-HZPDHXFCSA-N 2 0 328.501 1.373 20 0 EDADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@@H](O)CO)CC1 ZINC000930072097 697273437 /nfs/dbraw/zinc/27/34/37/697273437.db2.gz PFZHJHAVWDSQHT-MRXNPFEDSA-N 2 0 346.393 1.955 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000352744725 697333343 /nfs/dbraw/zinc/33/33/43/697333343.db2.gz QEMDJKBZLKGQPN-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000920226317 697411416 /nfs/dbraw/zinc/41/14/16/697411416.db2.gz FLCIMLTWXQJSKH-DLBZAZTESA-N 2 0 333.480 1.858 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000921435228 697611343 /nfs/dbraw/zinc/61/13/43/697611343.db2.gz XARNFLNBHUZCQA-OJLVUWQFSA-N 2 0 338.521 1.348 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccc(OC)nc2)C1 ZINC001031711000 697715658 /nfs/dbraw/zinc/71/56/58/697715658.db2.gz BMFXVIIXBGJEJJ-QGZVFWFLSA-N 2 0 346.475 1.513 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCOC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730817 698093205 /nfs/dbraw/zinc/09/32/05/698093205.db2.gz ZBXSJTSMHSZYRC-QFBILLFUSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000943516311 698430741 /nfs/dbraw/zinc/43/07/41/698430741.db2.gz LIWRKCMIQVCOMN-CRAIPNDOSA-N 2 0 333.476 1.571 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118415 698989230 /nfs/dbraw/zinc/98/92/30/698989230.db2.gz FPCMJDNSVVGGRW-IBGZPJMESA-N 2 0 349.519 1.726 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031771714 699093087 /nfs/dbraw/zinc/09/30/87/699093087.db2.gz GZFLAAXLCKYJDC-GOSISDBHSA-N 2 0 349.450 1.737 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCc1ccns1 ZINC000939063184 699106039 /nfs/dbraw/zinc/10/60/39/699106039.db2.gz BNDQHSCLJADNIZ-XJKSGUPXSA-N 2 0 336.505 1.464 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)ccn1 ZINC000939054112 699114413 /nfs/dbraw/zinc/11/44/13/699114413.db2.gz FBSLAGDVDIDVOP-WMLDXEAASA-N 2 0 346.475 1.369 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054182 699114417 /nfs/dbraw/zinc/11/44/17/699114417.db2.gz GCMKMSBUSQITGP-GDBMZVCRSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055189 699116382 /nfs/dbraw/zinc/11/63/82/699116382.db2.gz VOVWFEVFTLUKQG-YJBOKZPZSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939064193 699131543 /nfs/dbraw/zinc/13/15/43/699131543.db2.gz SKECETWVSQLNKM-CXAGYDPISA-N 2 0 331.464 1.063 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939133300 699217862 /nfs/dbraw/zinc/21/78/62/699217862.db2.gz QRCSEFRWTGKDHS-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939256866 699434105 /nfs/dbraw/zinc/43/41/05/699434105.db2.gz FTSNBPDRQNAVPX-WMLDXEAASA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939259789 699437980 /nfs/dbraw/zinc/43/79/80/699437980.db2.gz XBAAPCXERXVAKL-KBXCAEBGSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939394502 699544794 /nfs/dbraw/zinc/54/47/94/699544794.db2.gz CALBXQDQZKXUNH-DOTOQJQBSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939395903 699545805 /nfs/dbraw/zinc/54/58/05/699545805.db2.gz HSBJHJCPPNZKFV-WMZOPIPTSA-N 2 0 330.476 1.750 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544573 699686070 /nfs/dbraw/zinc/68/60/70/699686070.db2.gz KWDKOQXDPSTESC-DYVFJYSZSA-N 2 0 346.475 1.578 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939545796 699687932 /nfs/dbraw/zinc/68/79/32/699687932.db2.gz OWWFTPSOSDZOHA-DYVFJYSZSA-N 2 0 349.425 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccns1 ZINC000939551248 699700505 /nfs/dbraw/zinc/70/05/05/699700505.db2.gz RNEGFZSGVVFGLP-IUODEOHRSA-N 2 0 345.472 1.854 20 0 EDADRP COc1nscc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939752826 699902005 /nfs/dbraw/zinc/90/20/05/699902005.db2.gz APOIFRXZXQNUOA-TZMCWYRMSA-N 2 0 338.477 1.184 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCC4CCCC4)C3)CC2)C1 ZINC000941666351 701620764 /nfs/dbraw/zinc/62/07/64/701620764.db2.gz WLERIHIBJZTUKK-SFHVURJKSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939757619 699924701 /nfs/dbraw/zinc/92/47/01/699924701.db2.gz ZCUFJKXOYACXMK-GUYCJALGSA-N 2 0 337.414 1.997 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995012113 699953443 /nfs/dbraw/zinc/95/34/43/699953443.db2.gz DSERHOXAJMJWFW-HOTGVXAUSA-N 2 0 346.475 1.986 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)co1 ZINC000995014301 699966881 /nfs/dbraw/zinc/96/68/81/699966881.db2.gz KRFNEBHLBMAWLD-HZPDHXFCSA-N 2 0 346.475 1.986 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]cn3)CC2)on1 ZINC000940145012 700275341 /nfs/dbraw/zinc/27/53/41/700275341.db2.gz RGBAOHQBCCFVPM-UHFFFAOYSA-N 2 0 347.419 1.510 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940153863 700283398 /nfs/dbraw/zinc/28/33/98/700283398.db2.gz BXQWPCPINKWYJQ-UHFFFAOYSA-N 2 0 347.507 1.858 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)CC1 ZINC000940296705 700469257 /nfs/dbraw/zinc/46/92/57/700469257.db2.gz UIYBEFYJOLETJA-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1)[NH+](C)C ZINC000940306901 700489199 /nfs/dbraw/zinc/48/91/99/700489199.db2.gz PSTDXUCLSUAKAR-MRXNPFEDSA-N 2 0 333.480 1.534 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000940328193 700505671 /nfs/dbraw/zinc/50/56/71/700505671.db2.gz GZXRCMHIQGOCBW-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328028 700505780 /nfs/dbraw/zinc/50/57/80/700505780.db2.gz CPXIPRMNENOUCS-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067648 700529772 /nfs/dbraw/zinc/52/97/72/700529772.db2.gz ADFUZGDWUMJMEO-NVXWUHKLSA-N 2 0 345.491 1.501 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cscn3)CC2)C1 ZINC000940426054 700619559 /nfs/dbraw/zinc/61/95/59/700619559.db2.gz DJPHNEUISVLYGV-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940426557 700620563 /nfs/dbraw/zinc/62/05/63/700620563.db2.gz WWDLTCZYCFXDTK-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)ncn1 ZINC000940427886 700621874 /nfs/dbraw/zinc/62/18/74/700621874.db2.gz QGWVYUCLZVOGQT-UHFFFAOYSA-N 2 0 343.475 1.352 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428171 700622539 /nfs/dbraw/zinc/62/25/39/700622539.db2.gz WLIZGHARVRHCRZ-UHFFFAOYSA-N 2 0 346.475 1.858 20 0 EDADRP CC1([NH2+]Cc2nnc(C3CC3)o2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461950 700665577 /nfs/dbraw/zinc/66/55/77/700665577.db2.gz SPOCPOPCVMKOFM-UHFFFAOYSA-N 2 0 347.463 1.514 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940462089 700666017 /nfs/dbraw/zinc/66/60/17/700666017.db2.gz ZURFMTSZQUVXND-UHFFFAOYSA-N 2 0 333.480 1.295 20 0 EDADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624646 700786143 /nfs/dbraw/zinc/78/61/43/700786143.db2.gz JCPKSYFKOJNVQT-DLBZAZTESA-N 2 0 347.507 1.274 20 0 EDADRP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625898 700788051 /nfs/dbraw/zinc/78/80/51/700788051.db2.gz WSULEOZOJLHODL-GOEBONIOSA-N 2 0 334.464 1.794 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940799974 700917077 /nfs/dbraw/zinc/91/70/77/700917077.db2.gz UNVDJXGXWRPNEF-IRXDYDNUSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+](CCC(C)(C)C)C2)C1 ZINC001031921122 701061004 /nfs/dbraw/zinc/06/10/04/701061004.db2.gz IAZCIFSHDYKAJJ-MRXNPFEDSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029101 701069561 /nfs/dbraw/zinc/06/95/61/701069561.db2.gz RPZHTDPKLXJKGP-LSDHHAIUSA-N 2 0 325.497 1.316 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)n1 ZINC000995118836 701116180 /nfs/dbraw/zinc/11/61/80/701116180.db2.gz UOPVGCJLXPTZKB-STQMWFEESA-N 2 0 333.461 1.792 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001031926171 701133707 /nfs/dbraw/zinc/13/37/07/701133707.db2.gz VYMJDHMDEZOQCG-WBAXXEDZSA-N 2 0 337.508 1.580 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124520 701182343 /nfs/dbraw/zinc/18/23/43/701182343.db2.gz RGKLFCYPDISXFM-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941164915 701230761 /nfs/dbraw/zinc/23/07/61/701230761.db2.gz YVTBFVUGMKZHBF-IAGOWNOFSA-N 2 0 347.507 1.442 20 0 EDADRP CC1(C)C[N@H+](CC2CCOCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166899 701377753 /nfs/dbraw/zinc/37/77/53/701377753.db2.gz LFBSTIFFFAMEBC-QGZVFWFLSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166930 701377864 /nfs/dbraw/zinc/37/78/64/701377864.db2.gz MGKNKZSSZGDGQT-INIZCTEOSA-N 2 0 346.475 1.796 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031931545 701381192 /nfs/dbraw/zinc/38/11/92/701381192.db2.gz KPINLIMKSUKCQN-INIZCTEOSA-N 2 0 335.448 1.572 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408339 701520848 /nfs/dbraw/zinc/52/08/48/701520848.db2.gz BBAKACKEQQQJEG-QFBILLFUSA-N 2 0 348.535 1.203 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431582 701538199 /nfs/dbraw/zinc/53/81/99/701538199.db2.gz PBLIGCIYJMOHIK-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436870 701540080 /nfs/dbraw/zinc/54/00/80/701540080.db2.gz JQVGNPWEHMEZDL-INIZCTEOSA-N 2 0 336.524 1.345 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001032130389 701841628 /nfs/dbraw/zinc/84/16/28/701841628.db2.gz OAHBYUGUKJXTCG-UHFFFAOYSA-N 2 0 343.471 1.477 20 0 EDADRP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189258 706630853 /nfs/dbraw/zinc/63/08/53/706630853.db2.gz JJTOOBQMMZHQBR-QLFBSQMISA-N 2 0 336.505 1.872 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944046917 702011496 /nfs/dbraw/zinc/01/14/96/702011496.db2.gz MKRVZKGZDWXQPH-MAUKXSAKSA-N 2 0 337.508 1.317 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)on1 ZINC000999190345 706632921 /nfs/dbraw/zinc/63/29/21/706632921.db2.gz QFYVUUNOIWHDNA-VNHYZAJKSA-N 2 0 336.436 1.104 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000999190421 706633132 /nfs/dbraw/zinc/63/31/32/706633132.db2.gz QXJFHRAVHPEDCE-BPQIPLTHSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1oncc1CN1CC(CNC(=O)[C@H]2CCn3c(C)ncc3C2)C1 ZINC001031977653 702029213 /nfs/dbraw/zinc/02/92/13/702029213.db2.gz FLMYKEOKHLCWMT-HNNXBMFYSA-N 2 0 343.431 1.299 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995836133 702113744 /nfs/dbraw/zinc/11/37/44/702113744.db2.gz ZRRIVQWSKUPUNA-YUELXQCFSA-N 2 0 336.505 1.810 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995819213 702136385 /nfs/dbraw/zinc/13/63/85/702136385.db2.gz DOYUFLXNVRKIEI-IRXDYDNUSA-N 2 0 346.475 1.651 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995886850 702223225 /nfs/dbraw/zinc/22/32/25/702223225.db2.gz ODLYIVHUGGOCAV-DLBZAZTESA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]C[C@H]3CCCOC3)C(C)(C)C2)CCC1 ZINC000995886932 702224281 /nfs/dbraw/zinc/22/42/81/702224281.db2.gz LUTCTPSUCVIPBN-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)c1nncn1C ZINC000999224758 706658358 /nfs/dbraw/zinc/65/83/58/706658358.db2.gz TWQDOTWSVZSCAX-WLYUNCDWSA-N 2 0 348.495 1.330 20 0 EDADRP CCn1ncc(CN[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995914695 702274711 /nfs/dbraw/zinc/27/47/11/702274711.db2.gz FEGYHGCBUYVLQH-MRXNPFEDSA-N 2 0 348.495 1.109 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC000995982405 702340832 /nfs/dbraw/zinc/34/08/32/702340832.db2.gz ALGUNYCKVGSIJZ-GDBMZVCRSA-N 2 0 339.524 1.847 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995210507 702686332 /nfs/dbraw/zinc/68/63/32/702686332.db2.gz MDQBKFGEXJSLLV-HOTGVXAUSA-N 2 0 346.475 1.561 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300445 702691984 /nfs/dbraw/zinc/69/19/84/702691984.db2.gz MGVXVTAWDFYVOL-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cnc(CN[C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)nc1 ZINC000996301454 702693586 /nfs/dbraw/zinc/69/35/86/702693586.db2.gz SZPIEHBEFUHQGR-HOCLYGCPSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1)[NH+](C)C ZINC000996316177 702704380 /nfs/dbraw/zinc/70/43/80/702704380.db2.gz YEXXHISGPJMTBJ-JKSUJKDBSA-N 2 0 335.496 1.395 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C ZINC000996353921 702731764 /nfs/dbraw/zinc/73/17/64/702731764.db2.gz FMDKRJOXHXRCTD-HNNXBMFYSA-N 2 0 331.420 1.529 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)cn1 ZINC001032675894 706695399 /nfs/dbraw/zinc/69/53/99/706695399.db2.gz UTUXMNHFRHJLLZ-IRXDYDNUSA-N 2 0 347.507 1.780 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996476326 702808302 /nfs/dbraw/zinc/80/83/02/702808302.db2.gz FYUYGYISUANAPR-WBVHZDCISA-N 2 0 343.475 1.432 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478673 702810187 /nfs/dbraw/zinc/81/01/87/702810187.db2.gz SVYNHHBVLSKFRJ-GDBMZVCRSA-N 2 0 347.463 1.333 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996502123 702840563 /nfs/dbraw/zinc/84/05/63/702840563.db2.gz RFSXJZKDKRMPLX-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996517644 702852835 /nfs/dbraw/zinc/85/28/35/702852835.db2.gz FYFGVYGZNCTIGQ-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)cn1 ZINC000996522703 702858393 /nfs/dbraw/zinc/85/83/93/702858393.db2.gz ZAAPJAFJPZKDQL-INIZCTEOSA-N 2 0 343.475 1.207 20 0 EDADRP CC1(C)CO[C@H](C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000996560981 702874864 /nfs/dbraw/zinc/87/48/64/702874864.db2.gz MERYMGSDNCIHIB-ZWKOTPCHSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561551 702875415 /nfs/dbraw/zinc/87/54/15/702875415.db2.gz QFABWDAQUSNXQS-MLGOLLRUSA-N 2 0 347.463 1.361 20 0 EDADRP CCC[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000996580511 702891953 /nfs/dbraw/zinc/89/19/53/702891953.db2.gz ONJUKODWSVXYOI-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996612182 702917337 /nfs/dbraw/zinc/91/73/37/702917337.db2.gz QBTXSOHMUJEUKM-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996609551 702920692 /nfs/dbraw/zinc/92/06/92/702920692.db2.gz HSTWUJGZTZCNNN-MRXNPFEDSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616440 702923274 /nfs/dbraw/zinc/92/32/74/702923274.db2.gz SBGGSBRPVIJGNN-NVXWUHKLSA-N 2 0 330.476 1.668 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616788 702923762 /nfs/dbraw/zinc/92/37/62/702923762.db2.gz UISSZDQPXUEBNH-ZIAGYGMSSA-N 2 0 329.435 1.810 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1)c1cnccn1 ZINC000996652030 702941571 /nfs/dbraw/zinc/94/15/71/702941571.db2.gz SMDUWPCLQOPFIK-CYBMUJFWSA-N 2 0 328.420 1.474 20 0 EDADRP C[C@H]([NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C)C(N)=O ZINC000996663539 702961383 /nfs/dbraw/zinc/96/13/83/702961383.db2.gz OZWPBYUSZIHMPD-XJKSGUPXSA-N 2 0 346.475 1.062 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996667757 702964922 /nfs/dbraw/zinc/96/49/22/702964922.db2.gz YFHGSCOJXDXODV-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996664303 702966448 /nfs/dbraw/zinc/96/64/48/702966448.db2.gz UKTSOKWMSNDAJB-ZBFHGGJFSA-N 2 0 348.495 1.331 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C)n2)CC1 ZINC000996665673 702968121 /nfs/dbraw/zinc/96/81/21/702968121.db2.gz YYOPXBXUJWQNIX-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000996674246 702969447 /nfs/dbraw/zinc/96/94/47/702969447.db2.gz BFWYVGNGFLOMES-CXAGYDPISA-N 2 0 331.464 1.458 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)C1CC1 ZINC000996680798 702979387 /nfs/dbraw/zinc/97/93/87/702979387.db2.gz VFVKQFMCLNNCQD-LJQANCHMSA-N 2 0 345.487 1.600 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1)C1CC1 ZINC000996680955 702979502 /nfs/dbraw/zinc/97/95/02/702979502.db2.gz XGJAGFKEFLTQOR-HNNXBMFYSA-N 2 0 329.435 1.953 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996680912 702979529 /nfs/dbraw/zinc/97/95/29/702979529.db2.gz WMZKDWCXLUVUBT-IAQYHMDHSA-N 2 0 335.452 1.360 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996681283 702979746 /nfs/dbraw/zinc/97/97/46/702979746.db2.gz YVIWQVULWBFGNN-QGZVFWFLSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000996691101 702988538 /nfs/dbraw/zinc/98/85/38/702988538.db2.gz SCYPXWZYAAZRNL-CZUORRHYSA-N 2 0 348.495 1.629 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)on1 ZINC000996692202 702989488 /nfs/dbraw/zinc/98/94/88/702989488.db2.gz GOVCWHKMQDTPEO-INIZCTEOSA-N 2 0 338.452 1.350 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)[nH]1 ZINC000996712458 703007667 /nfs/dbraw/zinc/00/76/67/703007667.db2.gz PHNXARQFQSPAHX-GXTWGEPZSA-N 2 0 336.484 1.349 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1)[NH+](C)C ZINC000996718397 703012204 /nfs/dbraw/zinc/01/22/04/703012204.db2.gz OULJUDVAPNMJNX-OAHLLOKOSA-N 2 0 334.464 1.973 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996725122 703019653 /nfs/dbraw/zinc/01/96/53/703019653.db2.gz SBOBXHVESDGQNM-DZGCQCFKSA-N 2 0 348.495 1.493 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996725089 703019688 /nfs/dbraw/zinc/01/96/88/703019688.db2.gz RGJXHUSKRYONPK-WFASDCNBSA-N 2 0 334.468 1.239 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000996726090 703021219 /nfs/dbraw/zinc/02/12/19/703021219.db2.gz WGTNLFZMBAUJLC-RTBURBONSA-N 2 0 345.487 1.785 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCC2)C1 ZINC001032027078 703046678 /nfs/dbraw/zinc/04/66/78/703046678.db2.gz MWIONZFLGYKPNP-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP CCN1CC[NH+](C2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996795219 703079726 /nfs/dbraw/zinc/07/97/26/703079726.db2.gz KGQPNMLCRPBAKS-WWDZGPRUSA-N 2 0 336.524 1.393 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598057 703112972 /nfs/dbraw/zinc/11/29/72/703112972.db2.gz QTRKLSRTDKLSOC-KSSFIOAISA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]1C[N@H+](CCc2cnn(C)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598175 703113410 /nfs/dbraw/zinc/11/34/10/703113410.db2.gz SLRMIWJEDBMMPV-QAPCUYQASA-N 2 0 347.507 1.131 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996857091 703135144 /nfs/dbraw/zinc/13/51/44/703135144.db2.gz LJXFERBREMUSEM-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1C ZINC000996867034 703139795 /nfs/dbraw/zinc/13/97/95/703139795.db2.gz AGSVXALYNPKFJN-UHFFFAOYSA-N 2 0 347.507 1.684 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CCC(C)(C)C)C2)cn1 ZINC001032044583 703243916 /nfs/dbraw/zinc/24/39/16/703243916.db2.gz UOVGVPCITXKAII-UHFFFAOYSA-N 2 0 335.496 1.543 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997002522 703259266 /nfs/dbraw/zinc/25/92/66/703259266.db2.gz WUQIKMQFRNKYSI-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997004487 703261555 /nfs/dbraw/zinc/26/15/55/703261555.db2.gz DIZBZAFHDIVNMB-GOEBONIOSA-N 2 0 345.491 1.768 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008998 703263437 /nfs/dbraw/zinc/26/34/37/703263437.db2.gz NUXUFEJNJWVODH-KBXCAEBGSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008994 703263582 /nfs/dbraw/zinc/26/35/82/703263582.db2.gz NUIRHKMZLJQDIS-GUYCJALGSA-N 2 0 333.480 1.007 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)c1 ZINC000997006532 703263772 /nfs/dbraw/zinc/26/37/72/703263772.db2.gz MQAKXYNATRBJSU-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997007989 703265475 /nfs/dbraw/zinc/26/54/75/703265475.db2.gz SQLHMDAHEHWUKG-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ncc(Cl)n2C)CC1)[NH+](C)C ZINC000997011110 703270590 /nfs/dbraw/zinc/27/05/90/703270590.db2.gz VPMZTDGMINEAMV-ZDUSSCGKSA-N 2 0 341.887 1.494 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997009883 703270727 /nfs/dbraw/zinc/27/07/27/703270727.db2.gz QWQRKIPHXVYVEH-DYVFJYSZSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC000997056190 703301973 /nfs/dbraw/zinc/30/19/73/703301973.db2.gz BOXPBKALNSLEQA-CYBMUJFWSA-N 2 0 348.495 1.487 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC000997057178 703302741 /nfs/dbraw/zinc/30/27/41/703302741.db2.gz JQSUHGDFCCVNHA-ZDUSSCGKSA-N 2 0 349.479 1.752 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1cccc2[nH]c(=O)oc21)N1CC[NH+](C)CC1 ZINC000921522246 703357417 /nfs/dbraw/zinc/35/74/17/703357417.db2.gz PJKHMGWQIXUTET-MRXNPFEDSA-N 2 0 332.448 1.895 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@H]2C)CC[N@@H+]1CCOC ZINC000925339173 703411014 /nfs/dbraw/zinc/41/10/14/703411014.db2.gz WWMXWDGCZOSADM-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000997178051 703464665 /nfs/dbraw/zinc/46/46/65/703464665.db2.gz ANEYRVUWYAXIAK-YJBOKZPZSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997180765 703471257 /nfs/dbraw/zinc/47/12/57/703471257.db2.gz MULILBFUOOMLLO-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997190428 703472741 /nfs/dbraw/zinc/47/27/41/703472741.db2.gz YBBWAVODXSEXRL-CYBMUJFWSA-N 2 0 347.463 1.369 20 0 EDADRP CCc1nc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC000997186028 703475336 /nfs/dbraw/zinc/47/53/36/703475336.db2.gz HPJSISZPCYVXGY-UHFFFAOYSA-N 2 0 348.516 1.882 20 0 EDADRP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997278028 703536471 /nfs/dbraw/zinc/53/64/71/703536471.db2.gz CVCWOUKPOGFHCA-CUSZFKRNSA-N 2 0 339.524 1.968 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000997297938 703556063 /nfs/dbraw/zinc/55/60/63/703556063.db2.gz HPJGCLWNTJFNJG-CRAIPNDOSA-N 2 0 349.450 1.391 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997334039 703562522 /nfs/dbraw/zinc/56/25/22/703562522.db2.gz QQJQTMRRCLWNBC-SJLPKXTDSA-N 2 0 339.524 1.848 20 0 EDADRP Cc1nccn1CC(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997310114 703567150 /nfs/dbraw/zinc/56/71/50/703567150.db2.gz OEFMHCIBQHYOAL-CYBMUJFWSA-N 2 0 328.420 1.323 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)n1 ZINC000997359747 703590324 /nfs/dbraw/zinc/59/03/24/703590324.db2.gz JNEICKZYCRMSHI-IYBDPMFKSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997366788 703600767 /nfs/dbraw/zinc/60/07/67/703600767.db2.gz KVEURUDOKACPAF-SFHVURJKSA-N 2 0 347.507 1.418 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032455825 703633571 /nfs/dbraw/zinc/63/35/71/703633571.db2.gz BJVHECHUIDYZRQ-SQNIBIBYSA-N 2 0 335.492 1.573 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032475106 703695222 /nfs/dbraw/zinc/69/52/22/703695222.db2.gz DTWWVOUMWZTSRG-IRXDYDNUSA-N 2 0 335.492 1.430 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032493040 703774870 /nfs/dbraw/zinc/77/48/70/703774870.db2.gz JBNQBAPQMZINEG-JENIJYKNSA-N 2 0 349.519 1.961 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995550446 703953539 /nfs/dbraw/zinc/95/35/39/703953539.db2.gz JNRIWJSHILBHMJ-HOTGVXAUSA-N 2 0 334.464 1.658 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004205310 703959907 /nfs/dbraw/zinc/95/99/07/703959907.db2.gz BNAOWXYHJWMPSZ-KRWDZBQOSA-N 2 0 346.475 1.206 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1 ZINC001032521020 703967090 /nfs/dbraw/zinc/96/70/90/703967090.db2.gz RBZDAGHUMHWAHP-OKZBNKHCSA-N 2 0 340.427 1.802 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033074903 704114231 /nfs/dbraw/zinc/11/42/31/704114231.db2.gz BVEJUXABPDYFHM-KRWDZBQOSA-N 2 0 347.507 1.680 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033079925 704143902 /nfs/dbraw/zinc/14/39/02/704143902.db2.gz AIWKOBGSROZZDC-MSOLQXFVSA-N 2 0 328.460 1.456 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCC(F)(F)F)C1 ZINC001033080121 704144972 /nfs/dbraw/zinc/14/49/72/704144972.db2.gz CSMBZJAWSXZMDF-KBPBESRZSA-N 2 0 333.398 1.813 20 0 EDADRP Cc1csc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093882 704171164 /nfs/dbraw/zinc/17/11/64/704171164.db2.gz FGYKNIMFZQBYQX-QLFBSQMISA-N 2 0 336.505 1.824 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946590461 704195496 /nfs/dbraw/zinc/19/54/96/704195496.db2.gz DUSPLTSULOIQBM-FGTMMUONSA-N 2 0 335.492 1.145 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[NH+]4C3)CC[C@@H]2C1 ZINC000946592298 704242832 /nfs/dbraw/zinc/24/28/32/704242832.db2.gz GUABXZVRVRQEFO-HCXYKTFWSA-N 2 0 349.519 1.678 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000999300820 706803335 /nfs/dbraw/zinc/80/33/35/706803335.db2.gz BAVDLKVZMHIZOT-RDJZCZTQSA-N 2 0 348.495 1.253 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2ncc(C)o2)C1 ZINC000999303051 706806689 /nfs/dbraw/zinc/80/66/89/706806689.db2.gz HJJMTTUZQDFQLZ-JKSUJKDBSA-N 2 0 334.464 1.938 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997729736 704626495 /nfs/dbraw/zinc/62/64/95/704626495.db2.gz SCIKIDIOJMPTNB-OVWQWFNUSA-N 2 0 339.524 1.968 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000997783751 704694050 /nfs/dbraw/zinc/69/40/50/704694050.db2.gz JBKDBPXOLKYXEI-GOSISDBHSA-N 2 0 346.475 1.653 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CCC1 ZINC000997830608 704748599 /nfs/dbraw/zinc/74/85/99/704748599.db2.gz KDFJMWKMYNJMSN-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1cnccn1 ZINC000997831430 704751342 /nfs/dbraw/zinc/75/13/42/704751342.db2.gz RTQOIXGRWCRKEX-KBXCAEBGSA-N 2 0 345.491 1.706 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997835886 704753318 /nfs/dbraw/zinc/75/33/18/704753318.db2.gz CQNYNTLKAXFBQY-HNNXBMFYSA-N 2 0 345.491 1.233 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997889495 704791527 /nfs/dbraw/zinc/79/15/27/704791527.db2.gz XUQGYWCVEOAXRU-UHFFFAOYSA-N 2 0 345.491 1.377 20 0 EDADRP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943603 704796187 /nfs/dbraw/zinc/79/61/87/704796187.db2.gz IZRBMLTVDBZUQE-IAGOWNOFSA-N 2 0 330.476 1.812 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H]1CCCN(Cc2cnn(C)n2)CC1 ZINC000997951668 705070827 /nfs/dbraw/zinc/07/08/27/705070827.db2.gz YTINSDZNNNUOBI-IRXDYDNUSA-N 2 0 348.495 1.112 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cn1 ZINC000997957248 705087947 /nfs/dbraw/zinc/08/79/47/705087947.db2.gz WTPPIZTXHJJEOX-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997997458 705152237 /nfs/dbraw/zinc/15/22/37/705152237.db2.gz UEXZKKHRKYLLRS-MRXNPFEDSA-N 2 0 349.479 1.520 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)CC1 ZINC000998029742 705213118 /nfs/dbraw/zinc/21/31/18/705213118.db2.gz AKWSQSGHCNNQGP-QGZVFWFLSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998032363 705218081 /nfs/dbraw/zinc/21/80/81/705218081.db2.gz SETJGGDKRFEDCD-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC000998047676 705244390 /nfs/dbraw/zinc/24/43/90/705244390.db2.gz SCYBNXHWTUMZBA-ZWKOTPCHSA-N 2 0 339.524 1.970 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000998080504 705306263 /nfs/dbraw/zinc/30/62/63/705306263.db2.gz BRTYVRPEBUOLMP-GUYCJALGSA-N 2 0 348.491 1.817 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CC[C@]3(C2)CCC[N@H+](CCF)C3)CC1 ZINC001040473066 705422525 /nfs/dbraw/zinc/42/25/25/705422525.db2.gz CTUFQVMNMMXCLD-GOSISDBHSA-N 2 0 341.471 1.381 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998217956 705541054 /nfs/dbraw/zinc/54/10/54/705541054.db2.gz UTWPVYDTZVJMTE-INIZCTEOSA-N 2 0 333.480 1.090 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C12CC[NH+](CC1)C2 ZINC000998221185 705545635 /nfs/dbraw/zinc/54/56/35/705545635.db2.gz DHLLBFFNLKKMII-QGZVFWFLSA-N 2 0 335.492 1.337 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1 ZINC000998243725 705583363 /nfs/dbraw/zinc/58/33/63/705583363.db2.gz HRDTYJLGBCIEDX-LBPRGKRZSA-N 2 0 348.476 1.702 20 0 EDADRP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998268011 705639410 /nfs/dbraw/zinc/63/94/10/705639410.db2.gz CJOFBFOFGNPVMN-UHFFFAOYSA-N 2 0 348.491 1.969 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000998267462 705642765 /nfs/dbraw/zinc/64/27/65/705642765.db2.gz XQKUAUYCORKTJO-CQSZACIVSA-N 2 0 337.493 1.126 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1 ZINC000998310733 705717289 /nfs/dbraw/zinc/71/72/89/705717289.db2.gz HJCYREUONWMGQW-ZIAGYGMSSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)C1 ZINC001032627681 705737397 /nfs/dbraw/zinc/73/73/97/705737397.db2.gz FFEKOWLKMFPOIQ-SNPRPXQTSA-N 2 0 327.419 1.659 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998547803 705979868 /nfs/dbraw/zinc/97/98/68/705979868.db2.gz ACXGDLZMQXXRQM-GPANFISMSA-N 2 0 332.448 1.263 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998552967 705990593 /nfs/dbraw/zinc/99/05/93/705990593.db2.gz USQDNIRRBCQXNO-KVULBXGLSA-N 2 0 334.464 1.719 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998718986 706150785 /nfs/dbraw/zinc/15/07/85/706150785.db2.gz DPSAWHCLEFSNKY-CVEARBPZSA-N 2 0 332.448 1.265 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998762849 706201711 /nfs/dbraw/zinc/20/17/11/706201711.db2.gz IODMXARCVGQPFM-UYSNPLJNSA-N 2 0 333.480 1.372 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998781226 706222184 /nfs/dbraw/zinc/22/21/84/706222184.db2.gz SJQVOKNNOVGHJJ-JCYILVPMSA-N 2 0 346.475 1.658 20 0 EDADRP CN(C(=O)[C@@H]1CCCc2nccn21)C1CC(NCc2nncs2)C1 ZINC000998901587 706338126 /nfs/dbraw/zinc/33/81/26/706338126.db2.gz OMPLPZBWZQNJIN-BPCQOVAHSA-N 2 0 346.460 1.391 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)CCc3ncc[nH]3)C2)s1 ZINC000999038057 706453743 /nfs/dbraw/zinc/45/37/43/706453743.db2.gz DADNQQYECFDBLM-ZDUSSCGKSA-N 2 0 333.461 1.888 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1C ZINC000999372991 706867373 /nfs/dbraw/zinc/86/73/73/706867373.db2.gz PUYHBUHUWHJYED-NVXWUHKLSA-N 2 0 333.480 1.149 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999372937 706867577 /nfs/dbraw/zinc/86/75/77/706867577.db2.gz PNHDRIBSILFELZ-IAGOWNOFSA-N 2 0 346.475 1.511 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999362450 706875965 /nfs/dbraw/zinc/87/59/65/706875965.db2.gz AUAXXVRVTIQHSV-OAHLLOKOSA-N 2 0 333.480 1.028 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CCC1 ZINC000999362669 706876600 /nfs/dbraw/zinc/87/66/00/706876600.db2.gz COFCRJNQWUVXMC-GOSISDBHSA-N 2 0 345.487 1.744 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999401657 706909841 /nfs/dbraw/zinc/90/98/41/706909841.db2.gz PNMJNNBPVWLXHU-IRXDYDNUSA-N 2 0 347.507 1.858 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999405769 706915179 /nfs/dbraw/zinc/91/51/79/706915179.db2.gz HWNLFASEAZCENH-NFOMZHRRSA-N 2 0 336.505 1.749 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999407288 706916666 /nfs/dbraw/zinc/91/66/66/706916666.db2.gz TZKPJZIMBFMVTG-ODIFPOPNSA-N 2 0 333.480 1.026 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999510859 707009310 /nfs/dbraw/zinc/00/93/10/707009310.db2.gz MIDZQFJDTCZVJA-NVXWUHKLSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999512419 707011055 /nfs/dbraw/zinc/01/10/55/707011055.db2.gz PPHRNNDTLPRIPU-ZWKOTPCHSA-N 2 0 347.507 1.565 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999612125 707128104 /nfs/dbraw/zinc/12/81/04/707128104.db2.gz BHJDIHYLSXJUNQ-WBVHZDCISA-N 2 0 342.443 1.955 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000999698549 707225351 /nfs/dbraw/zinc/22/53/51/707225351.db2.gz IFIMXHMKFGGIKY-UYSNPLJNSA-N 2 0 346.475 1.909 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779455 707240706 /nfs/dbraw/zinc/24/07/06/707240706.db2.gz PELXUMRJOFYVCZ-XLAORIBOSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999708843 707301539 /nfs/dbraw/zinc/30/15/39/707301539.db2.gz OTOQFDIZQLWYQE-UHFFFAOYSA-N 2 0 348.878 1.910 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ncccn3)C[C@H]2CC1)[NH+](C)C ZINC000946784576 707312236 /nfs/dbraw/zinc/31/22/36/707312236.db2.gz NVVSCTZOTDKOMD-BBWFWOEESA-N 2 0 345.491 1.487 20 0 EDADRP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999764809 707319349 /nfs/dbraw/zinc/31/93/49/707319349.db2.gz PJYQKSRBTAUXIG-TVPLGVNVSA-N 2 0 335.492 1.478 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1)OC ZINC001033179832 707334711 /nfs/dbraw/zinc/33/47/11/707334711.db2.gz ANNRULFNTFBRPA-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999795206 707366787 /nfs/dbraw/zinc/36/67/87/707366787.db2.gz YKVTXJFBQBYEPA-ZWKOTPCHSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789379 707406673 /nfs/dbraw/zinc/40/66/73/707406673.db2.gz HAKWQRDTDBYXAB-FUHWJXTLSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999837773 707409249 /nfs/dbraw/zinc/40/92/49/707409249.db2.gz SCFPMFHHJBOHAC-LRVUVFPRSA-N 2 0 336.867 1.766 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033198115 707459780 /nfs/dbraw/zinc/45/97/80/707459780.db2.gz KSBKZOFXCWFJPV-OALUTQOASA-N 2 0 345.487 1.696 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999831279 707461294 /nfs/dbraw/zinc/46/12/94/707461294.db2.gz JXRHHWABVJQGAB-KLAILNCOSA-N 2 0 333.480 1.031 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)nn1 ZINC000999832259 707462324 /nfs/dbraw/zinc/46/23/24/707462324.db2.gz BOKOIPMSURKESP-UHFFFAOYSA-N 2 0 334.468 1.034 20 0 EDADRP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999832696 707463649 /nfs/dbraw/zinc/46/36/49/707463649.db2.gz VBGFTCTYKATILJ-NFOMZHRRSA-N 2 0 334.464 1.829 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999875183 707521863 /nfs/dbraw/zinc/52/18/63/707521863.db2.gz DBLWGJTUVJQFIJ-OAHLLOKOSA-N 2 0 334.464 1.938 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999939759 707539715 /nfs/dbraw/zinc/53/97/15/707539715.db2.gz QQUDSKKZTMMJHW-GBESFXJTSA-N 2 0 345.487 1.785 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](Cc3ccccn3)C2)CC[N@@H+]1C ZINC001033363121 707652939 /nfs/dbraw/zinc/65/29/39/707652939.db2.gz VEMOHPLSMSDLRZ-XYJFISCASA-N 2 0 330.476 1.845 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999096 707682680 /nfs/dbraw/zinc/68/26/80/707682680.db2.gz WTTYZGSHZHMNQW-IAGOWNOFSA-N 2 0 346.479 1.035 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1)C12CC[NH+](CC1)C2 ZINC001032734113 707743476 /nfs/dbraw/zinc/74/34/76/707743476.db2.gz XPOUENRLWFTSAC-ROUUACIJSA-N 2 0 325.456 1.610 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001000193432 707830441 /nfs/dbraw/zinc/83/04/41/707830441.db2.gz QCJOAWPTLRJDPE-DZGCQCFKSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001000194267 707831056 /nfs/dbraw/zinc/83/10/56/707831056.db2.gz VPWGWHFHCVMROO-MAUKXSAKSA-N 2 0 330.476 1.812 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422815 707837467 /nfs/dbraw/zinc/83/74/67/707837467.db2.gz LHTMSBRQQGUECY-QFBILLFUSA-N 2 0 347.503 1.972 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(Cc2ccnn2C)C1 ZINC001033472737 707961070 /nfs/dbraw/zinc/96/10/70/707961070.db2.gz AZINJAJHLUGOGF-WMZOPIPTSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474044 707962825 /nfs/dbraw/zinc/96/28/25/707962825.db2.gz FCTAIAQRLPVSOU-GOSISDBHSA-N 2 0 347.507 1.493 20 0 EDADRP Cc1cc(F)ccc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032781222 707966611 /nfs/dbraw/zinc/96/66/11/707966611.db2.gz OEILACBVRVPYLW-SZMVWBNQSA-N 2 0 331.435 1.871 20 0 EDADRP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490620 707984986 /nfs/dbraw/zinc/98/49/86/707984986.db2.gz UXJBVIVFDFQYGH-GDBMZVCRSA-N 2 0 339.459 1.339 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC[C@H]([NH2+]C[C@@H]3CCCCO3)C2)CC1 ZINC001000387767 708001312 /nfs/dbraw/zinc/00/13/12/708001312.db2.gz ICEAQODIDSLZGX-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001005179336 708122012 /nfs/dbraw/zinc/12/20/12/708122012.db2.gz NJVQRPXOOSRXGM-KRWDZBQOSA-N 2 0 334.464 1.808 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001033582417 708265503 /nfs/dbraw/zinc/26/55/03/708265503.db2.gz PCTNTZMRDSEZBK-HOTGVXAUSA-N 2 0 348.491 1.920 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033583363 708267420 /nfs/dbraw/zinc/26/74/20/708267420.db2.gz UZBAQZCTPROMOA-QZTJIDSGSA-N 2 0 337.508 1.678 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001001751754 708274279 /nfs/dbraw/zinc/27/42/79/708274279.db2.gz ORWVGBYGIBFZAY-FUHWJXTLSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001033591979 708290041 /nfs/dbraw/zinc/29/00/41/708290041.db2.gz DLXGPCVIVCGODY-MRXNPFEDSA-N 2 0 348.516 1.623 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583973 708308979 /nfs/dbraw/zinc/30/89/79/708308979.db2.gz ZKLIIJHSRNAHMW-DLBZAZTESA-N 2 0 330.476 1.765 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2cncs2)CC1 ZINC001001824368 708327177 /nfs/dbraw/zinc/32/71/77/708327177.db2.gz DZYGNMSJSBTBMV-XJKSGUPXSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1cccc(OCC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033663469 708443519 /nfs/dbraw/zinc/44/35/19/708443519.db2.gz VXFVRCYVIYRYQJ-ROUUACIJSA-N 2 0 345.487 1.858 20 0 EDADRP COCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666373 708450567 /nfs/dbraw/zinc/45/05/67/708450567.db2.gz WIDLYWUPPPNUHO-RBUKOAKNSA-N 2 0 345.487 1.817 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659578 708471462 /nfs/dbraw/zinc/47/14/62/708471462.db2.gz DHKAZTXGXSWDBY-HUUCEWRRSA-N 2 0 334.464 1.530 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001033662468 708478160 /nfs/dbraw/zinc/47/81/60/708478160.db2.gz QBVDLYIQWWSJRZ-HUUCEWRRSA-N 2 0 343.431 1.207 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001002122068 708636350 /nfs/dbraw/zinc/63/63/50/708636350.db2.gz XXOAUVSFZOXVNO-GOSISDBHSA-N 2 0 345.487 1.975 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033776976 708704164 /nfs/dbraw/zinc/70/41/64/708704164.db2.gz RYCPPXQCCXPTKW-GDBMZVCRSA-N 2 0 336.505 1.703 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033826921 708826587 /nfs/dbraw/zinc/82/65/87/708826587.db2.gz XEFFNLALDPWNEF-QZTJIDSGSA-N 2 0 347.507 1.679 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033837871 708867755 /nfs/dbraw/zinc/86/77/55/708867755.db2.gz KNLGFLFTTKZARW-BRWVUGGUSA-N 2 0 333.480 1.146 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005397604 708909527 /nfs/dbraw/zinc/90/95/27/708909527.db2.gz MFNOBGFBFVHECY-IBGZPJMESA-N 2 0 342.487 1.846 20 0 EDADRP Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001002472602 709005840 /nfs/dbraw/zinc/00/58/40/709005840.db2.gz CBMPKAMLOFVTLM-OAHLLOKOSA-N 2 0 336.505 1.669 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033932630 709090671 /nfs/dbraw/zinc/09/06/71/709090671.db2.gz QKRVTQPKSAYJEF-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001034014829 709230242 /nfs/dbraw/zinc/23/02/42/709230242.db2.gz DSBNJYKEDRXKRX-MSOLQXFVSA-N 2 0 349.519 1.964 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001034015179 709231241 /nfs/dbraw/zinc/23/12/41/709231241.db2.gz FITOGWPZZZTWOI-QGZVFWFLSA-N 2 0 335.492 1.432 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005498871 709273608 /nfs/dbraw/zinc/27/36/08/709273608.db2.gz UVUAIJOYZALYBR-SFHVURJKSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831574 709442608 /nfs/dbraw/zinc/44/26/08/709442608.db2.gz HQMIZIZHRNFSLQ-GOSISDBHSA-N 2 0 342.487 1.812 20 0 EDADRP O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875750 709482955 /nfs/dbraw/zinc/48/29/55/709482955.db2.gz QOIVQTGVNPXEOD-RBUKOAKNSA-N 2 0 347.503 1.931 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001034269154 709673392 /nfs/dbraw/zinc/67/33/92/709673392.db2.gz AEZYFTMRXHPONL-AEFFLSMTSA-N 2 0 347.507 1.418 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCCN(Cc3ccon3)C2)CC[N@@H+]1C ZINC001034365219 709886804 /nfs/dbraw/zinc/88/68/04/709886804.db2.gz YUNLUFLCECUUTD-JYJNAYRXSA-N 2 0 334.464 1.876 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](C[C@H]3CCCOC3)C2)CC1 ZINC001034386855 709915828 /nfs/dbraw/zinc/91/58/28/709915828.db2.gz UWGQSLRBXIFJPR-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)cc1 ZINC001034406206 709921884 /nfs/dbraw/zinc/92/18/84/709921884.db2.gz YEWYSISVUXHQMB-GOSISDBHSA-N 2 0 333.476 1.367 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003167922 710079892 /nfs/dbraw/zinc/07/98/92/710079892.db2.gz PWXXXWRCSBOCHN-SFHVURJKSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@@H](C[C@@H]1COCC[NH2+]1)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000423030867 710170302 /nfs/dbraw/zinc/17/03/02/710170302.db2.gz KBBFZKUXBXFGAX-DOTOQJQBSA-N 2 0 347.503 1.995 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525649 710176241 /nfs/dbraw/zinc/17/62/41/710176241.db2.gz NRZLHAAPBMJGEO-HUUCEWRRSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525694 710176298 /nfs/dbraw/zinc/17/62/98/710176298.db2.gz OUYUVSPWMBBVCB-WBVHZDCISA-N 2 0 333.480 1.151 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001034647257 710323641 /nfs/dbraw/zinc/32/36/41/710323641.db2.gz BHUYPAIJYGABOT-WRQOLXDDSA-N 2 0 345.491 1.895 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647600 710324327 /nfs/dbraw/zinc/32/43/27/710324327.db2.gz NFCLZXXHUFLOAI-QBPKDAKJSA-N 2 0 345.491 1.642 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001034648198 710324990 /nfs/dbraw/zinc/32/49/90/710324990.db2.gz ZMSYQMVVVGGHRF-KLHDSHLOSA-N 2 0 334.464 1.840 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001034649484 710325810 /nfs/dbraw/zinc/32/58/10/710325810.db2.gz YGFZVFZCXOYCPS-JFIYKMOQSA-N 2 0 345.491 1.279 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001003482308 710376645 /nfs/dbraw/zinc/37/66/45/710376645.db2.gz FROVSKOEDVYIMZ-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC001003546897 710413590 /nfs/dbraw/zinc/41/35/90/710413590.db2.gz FANNLURUEGDQKG-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)C1 ZINC001003626348 710455585 /nfs/dbraw/zinc/45/55/85/710455585.db2.gz BDHXFRBZHJZPLX-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636604 710456956 /nfs/dbraw/zinc/45/69/56/710456956.db2.gz WQGXTVABAIRPMA-WFASDCNBSA-N 2 0 329.435 1.810 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003631136 710460473 /nfs/dbraw/zinc/46/04/73/710460473.db2.gz RKFLATWWRKMINZ-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636241 710463160 /nfs/dbraw/zinc/46/31/60/710463160.db2.gz UIGMIWQHNHUNAW-XJKSGUPXSA-N 2 0 348.491 1.824 20 0 EDADRP CC[C@H](C)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003778058 710557495 /nfs/dbraw/zinc/55/74/95/710557495.db2.gz YOEWZXNWVQDZNK-HNNXBMFYSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC001034734793 710918041 /nfs/dbraw/zinc/91/80/41/710918041.db2.gz YZSUHEOVWMXOCB-XIRDDKMYSA-N 2 0 333.480 1.279 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034737250 710949123 /nfs/dbraw/zinc/94/91/23/710949123.db2.gz HYMSLJFJKKUSDM-DJIMGWMZSA-N 2 0 345.491 1.786 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738591 710954052 /nfs/dbraw/zinc/95/40/52/710954052.db2.gz ULEGIPCXSWYNRA-TUVASFSCSA-N 2 0 336.505 1.858 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034778645 711082180 /nfs/dbraw/zinc/08/21/80/711082180.db2.gz KWPLYVKAVRIBHR-ULQDDVLXSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001034796055 711115695 /nfs/dbraw/zinc/11/56/95/711115695.db2.gz CTQHUNXGYSJPBJ-SDADXPQNSA-N 2 0 349.479 1.768 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034792426 711119068 /nfs/dbraw/zinc/11/90/68/711119068.db2.gz JPOODKXODSIPLX-KLHDSHLOSA-N 2 0 331.464 1.506 20 0 EDADRP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792399 711119533 /nfs/dbraw/zinc/11/95/33/711119533.db2.gz IVKCJHAZJVZWRC-QAETUUGQSA-N 2 0 345.491 1.815 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034797393 711131502 /nfs/dbraw/zinc/13/15/02/711131502.db2.gz ZBORPXDNAALOMK-JOCBIADPSA-N 2 0 347.507 1.810 20 0 EDADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC001034818999 711206479 /nfs/dbraw/zinc/20/64/79/711206479.db2.gz URZXUKJSELDRHN-ROUUACIJSA-N 2 0 331.460 1.664 20 0 EDADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740700 711274888 /nfs/dbraw/zinc/27/48/88/711274888.db2.gz FYQNATJQKSSEIH-IPCDKGFNSA-N 2 0 349.519 1.819 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001034881470 711282090 /nfs/dbraw/zinc/28/20/90/711282090.db2.gz IOIVVAUEQYZCKJ-NVXWUHKLSA-N 2 0 332.448 1.265 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC001034885822 711290314 /nfs/dbraw/zinc/29/03/14/711290314.db2.gz ZYENQVARROEPKN-IAGOWNOFSA-N 2 0 347.507 1.813 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001034958180 711431096 /nfs/dbraw/zinc/43/10/96/711431096.db2.gz CSBQNSPBUDDAKA-HZPDHXFCSA-N 2 0 348.495 1.159 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn(CCF)c3)C2)[C@H]1C(C)C ZINC000922392093 711457363 /nfs/dbraw/zinc/45/73/63/711457363.db2.gz CTTXQWXQABYYNN-BRSBDYLESA-N 2 0 338.471 1.812 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CCN(Cc2ccncc2Cl)CC1 ZINC001004148679 711561811 /nfs/dbraw/zinc/56/18/11/711561811.db2.gz VOUUOGQAAZFOFP-UHFFFAOYSA-N 2 0 336.867 1.911 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922465342 711580977 /nfs/dbraw/zinc/58/09/77/711580977.db2.gz BAWJCRSGSCEGSY-HRCADAONSA-N 2 0 340.537 1.740 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033126425 711889705 /nfs/dbraw/zinc/88/97/05/711889705.db2.gz NBFIZOMGWHWGCY-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]3CC2)C1 ZINC000946621260 711908061 /nfs/dbraw/zinc/90/80/61/711908061.db2.gz REZGCDKDJXMTSL-KSZLIROESA-N 2 0 337.508 1.127 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033139460 711932729 /nfs/dbraw/zinc/93/27/29/711932729.db2.gz GIFDJNMZQNWRKC-RBUKOAKNSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033144009 711959490 /nfs/dbraw/zinc/95/94/90/711959490.db2.gz PKPVASMMBQWAJI-ROUUACIJSA-N 2 0 347.507 1.394 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004549480 711960497 /nfs/dbraw/zinc/96/04/97/711960497.db2.gz ZKHHNGDYEPAJCI-FUHWJXTLSA-N 2 0 337.508 1.556 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001004615891 712075548 /nfs/dbraw/zinc/07/55/48/712075548.db2.gz IVDUSMSHUMFEKR-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352442187 282098334 /nfs/dbraw/zinc/09/83/34/282098334.db2.gz LRPMPDKCRAHYAS-IRXDYDNUSA-N 2 0 345.553 1.205 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000343092833 282134424 /nfs/dbraw/zinc/13/44/24/282134424.db2.gz QRIMUDALWWSJLI-ZBFHGGJFSA-N 2 0 325.522 1.614 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000129861202 282142073 /nfs/dbraw/zinc/14/20/73/282142073.db2.gz ZSCOIRUNRIYVFR-QGZVFWFLSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1cc(=O)n2nc(CN3CC[C@H](C[NH+]4CCCCC4)C3)sc2n1 ZINC000173870471 231056479 /nfs/dbraw/zinc/05/64/79/231056479.db2.gz QPXOMRHXCKWIDK-CQSZACIVSA-N 2 0 347.488 1.767 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000344599268 282208726 /nfs/dbraw/zinc/20/87/26/282208726.db2.gz VKKCQGFSWXAIDD-QKPAOTATSA-N 2 0 341.521 1.134 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829327 282242424 /nfs/dbraw/zinc/24/24/24/282242424.db2.gz FSLQJKOFUWFDSM-ROUUACIJSA-N 2 0 332.492 1.848 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(Cc2ccccc2)C1=O ZINC000171715359 529865911 /nfs/dbraw/zinc/86/59/11/529865911.db2.gz WJBQEKSTXDJNQZ-KRWDZBQOSA-N 2 0 329.444 1.588 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000090769962 539409066 /nfs/dbraw/zinc/40/90/66/539409066.db2.gz FOTLJXMGCPXUMK-GXTWGEPZSA-N 2 0 346.518 1.203 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@H](C[NH+](C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288250784 299112965 /nfs/dbraw/zinc/11/29/65/299112965.db2.gz UHIWCHUYXUNXBX-JQHSSLGASA-N 2 0 348.491 1.650 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000101641744 219150167 /nfs/dbraw/zinc/15/01/67/219150167.db2.gz GQSLKAOZGROYKD-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c1 ZINC000066223460 215024665 /nfs/dbraw/zinc/02/46/65/215024665.db2.gz SJJQKSIYANKTBP-KRWDZBQOSA-N 2 0 344.459 1.383 20 0 EDADRP C[N@H+](CCN1CC[NH+](CCn2cccn2)CC1)Cc1ccccc1 ZINC000066534503 215051127 /nfs/dbraw/zinc/05/11/27/215051127.db2.gz IDGWZXSTMOZVHM-UHFFFAOYSA-N 2 0 327.476 1.633 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000412423675 304006513 /nfs/dbraw/zinc/00/65/13/304006513.db2.gz UFGNPZBYSARSHU-RDJZCZTQSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000103298083 219285948 /nfs/dbraw/zinc/28/59/48/219285948.db2.gz YXSJUZBEPAUVHL-GOSISDBHSA-N 2 0 344.503 1.944 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000342982661 539769916 /nfs/dbraw/zinc/76/99/16/539769916.db2.gz FBVNCDRJHZGNGP-FHERZECASA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ncc[nH]1 ZINC000353498666 539934326 /nfs/dbraw/zinc/93/43/26/539934326.db2.gz SABJAMZTTZQSCI-HNNXBMFYSA-N 2 0 329.452 1.453 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cc3ccccc3s2)CC1 ZINC000563001682 306315468 /nfs/dbraw/zinc/31/54/68/306315468.db2.gz YQALSADYVWWARJ-INIZCTEOSA-N 2 0 333.501 1.642 20 0 EDADRP Cc1ccn2cc(CNC(=O)NC[C@H]3CCCC[N@@H+]3CCO)nc2c1 ZINC000563013240 306315807 /nfs/dbraw/zinc/31/58/07/306315807.db2.gz HMYRMFJQTYUBSI-MRXNPFEDSA-N 2 0 345.447 1.289 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)C1 ZINC000249074478 283060691 /nfs/dbraw/zinc/06/06/91/283060691.db2.gz NEDLBZPWSHPEDJ-MPGHIAIKSA-N 2 0 325.497 1.709 20 0 EDADRP CC[NH+](CC)CC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000063744496 138169202 /nfs/dbraw/zinc/16/92/02/138169202.db2.gz SSCZJBTZKWWQCB-UHFFFAOYSA-N 2 0 346.519 1.782 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000073210555 138215093 /nfs/dbraw/zinc/21/50/93/138215093.db2.gz AWOQVNDEDQBVPJ-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000118868437 138313055 /nfs/dbraw/zinc/31/30/55/138313055.db2.gz DGLNONJPJIDBNK-UHFFFAOYSA-N 2 0 346.475 1.676 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000125084429 138331953 /nfs/dbraw/zinc/33/19/53/138331953.db2.gz NCLYCCXZCXUKTF-HLLBOEOZSA-N 2 0 325.497 1.674 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000130673751 138344559 /nfs/dbraw/zinc/34/45/59/138344559.db2.gz QWXGCJPMEDESMW-GDBMZVCRSA-N 2 0 335.496 1.480 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOCC2CC2)CC1 ZINC000130673218 138344594 /nfs/dbraw/zinc/34/45/94/138344594.db2.gz MMJAJRKAVCZZEB-UHFFFAOYSA-N 2 0 339.524 1.829 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000563609795 306341720 /nfs/dbraw/zinc/34/17/20/306341720.db2.gz PINLCIIWNFVSDN-AEFFLSMTSA-N 2 0 346.475 1.281 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000354429359 291120226 /nfs/dbraw/zinc/12/02/26/291120226.db2.gz WTPKCVYFDGKNBN-PMPSAXMXSA-N 2 0 326.481 1.789 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000564831003 306365747 /nfs/dbraw/zinc/36/57/47/306365747.db2.gz YQUCEUBQKOCESN-GDBMZVCRSA-N 2 0 342.447 1.195 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCc2cccc(Cl)c2)CC1 ZINC000564847997 306367203 /nfs/dbraw/zinc/36/72/03/306367203.db2.gz SEQVTMRAYHYFKF-QGZVFWFLSA-N 2 0 325.884 1.471 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000564938606 306370501 /nfs/dbraw/zinc/37/05/01/306370501.db2.gz XMMJHSXJYDPFJV-UGQVUOCMSA-N 2 0 326.485 1.179 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000129504953 223063164 /nfs/dbraw/zinc/06/31/64/223063164.db2.gz NGJOFQHDYTUCQI-MRXNPFEDSA-N 2 0 330.476 1.638 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129793126 223092198 /nfs/dbraw/zinc/09/21/98/223092198.db2.gz IDYJZZUROHWRFW-SFHVURJKSA-N 2 0 335.492 1.304 20 0 EDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000565351214 306382045 /nfs/dbraw/zinc/38/20/45/306382045.db2.gz XBRTVGPXYABFKS-RDTXWAMCSA-N 2 0 331.460 1.651 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@H](C)C1 ZINC000414184908 304104857 /nfs/dbraw/zinc/10/48/57/304104857.db2.gz GAPSMXNZVZGNSS-MSOLQXFVSA-N 3 0 338.540 1.103 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841301 306393391 /nfs/dbraw/zinc/39/33/91/306393391.db2.gz RGOLRZRLZJSARU-CVEARBPZSA-N 2 0 334.464 1.353 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@]2(C)CCC[NH2+]2)c1 ZINC000565894366 306394345 /nfs/dbraw/zinc/39/43/45/306394345.db2.gz IKCNIAIJNSHUDM-IBGZPJMESA-N 2 0 346.475 1.839 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000565947162 306395197 /nfs/dbraw/zinc/39/51/97/306395197.db2.gz JATKEKFVMNJZKJ-CVEARBPZSA-N 2 0 347.463 1.070 20 0 EDADRP C[NH+](C)C1(CNC(=O)COC2CCC([NH3+])CC2)Cc2ccccc2C1 ZINC000566185652 306402701 /nfs/dbraw/zinc/40/27/01/306402701.db2.gz WCYIKILDIOJAAF-UHFFFAOYSA-N 2 0 345.487 1.488 20 0 EDADRP C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C(C)(C)C[NH+](C)C ZINC000458522762 296081558 /nfs/dbraw/zinc/08/15/58/296081558.db2.gz PPPITKOLZQLIPL-CABCVRRESA-N 2 0 328.501 1.109 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000414715771 304132296 /nfs/dbraw/zinc/13/22/96/304132296.db2.gz XOYRDNVBJOJBBY-GJZGRUSLSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000414730779 304134065 /nfs/dbraw/zinc/13/40/65/304134065.db2.gz SEVHZEQGBANDNY-CYBMUJFWSA-N 2 0 332.448 1.445 20 0 EDADRP CCc1ccc([C@@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000414759657 304137964 /nfs/dbraw/zinc/13/79/64/304137964.db2.gz WQWCLRFXQKMPQP-HKUYNNGSSA-N 2 0 345.487 1.820 20 0 EDADRP Cc1cc(C)n2c(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cnc2n1 ZINC000414771756 304138968 /nfs/dbraw/zinc/13/89/68/304138968.db2.gz AMJNFRGEJCYHLZ-HNNXBMFYSA-N 2 0 329.448 1.533 20 0 EDADRP Fc1ccc(Cn2cc(C[NH2+]CCCN3CC[NH2+]CC3)cn2)cc1 ZINC000414779768 304139610 /nfs/dbraw/zinc/13/96/10/304139610.db2.gz KGENYIXWPMVTSX-UHFFFAOYSA-N 2 0 331.439 1.455 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000414844251 304146811 /nfs/dbraw/zinc/14/68/11/304146811.db2.gz PGZRXVGWAKMKAK-UHFFFAOYSA-N 2 0 334.464 1.439 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000414848096 304147443 /nfs/dbraw/zinc/14/74/43/304147443.db2.gz VTDIQONCQYBNSA-INIZCTEOSA-N 2 0 348.491 1.827 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@@H](C)C[NH2+]C)CC1 ZINC000414848464 304147460 /nfs/dbraw/zinc/14/74/60/304147460.db2.gz XAWOYHIAEDFWIZ-UONOGXRCSA-N 2 0 327.469 1.012 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH2+]C)CC1 ZINC000414848467 304147531 /nfs/dbraw/zinc/14/75/31/304147531.db2.gz XAWOYHIAEDFWIZ-ZIAGYGMSSA-N 2 0 327.469 1.012 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000414988721 304148125 /nfs/dbraw/zinc/14/81/25/304148125.db2.gz PVWPOKOKLHTBEP-MRXNPFEDSA-N 2 0 346.475 1.439 20 0 EDADRP COc1ccc(CC[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)cc1S(N)(=O)=O ZINC000415091218 304158427 /nfs/dbraw/zinc/15/84/27/304158427.db2.gz PYXJLXFXSJRFQW-OCCSQVGLSA-N 2 0 341.477 1.005 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000415092057 304158734 /nfs/dbraw/zinc/15/87/34/304158734.db2.gz RYWRCVQXHBYLBM-IPELMVKDSA-N 3 0 344.503 1.472 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000415106664 304160462 /nfs/dbraw/zinc/16/04/62/304160462.db2.gz OBZPILMSIDBINF-HOTGVXAUSA-N 2 0 331.460 1.841 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000424139676 296166690 /nfs/dbraw/zinc/16/66/90/296166690.db2.gz DSHOKBHEUOLVOP-HOCLYGCPSA-N 2 0 331.464 1.481 20 0 EDADRP C[C@H](Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@@H]1CC[NH2+]C1 ZINC000415116784 304161390 /nfs/dbraw/zinc/16/13/90/304161390.db2.gz IERIYWBGZOYXBN-ZMSDIMECSA-N 2 0 330.476 1.794 20 0 EDADRP Cc1cc(F)ccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415136157 304163173 /nfs/dbraw/zinc/16/31/73/304163173.db2.gz HFSRJJUTTQUUPQ-ROUUACIJSA-N 2 0 346.450 1.854 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C/C=C/c3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142049 304163959 /nfs/dbraw/zinc/16/39/59/304163959.db2.gz QPCOYAUDTGUPKG-LVLPYEQSSA-N 2 0 340.471 1.920 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415143544 304164189 /nfs/dbraw/zinc/16/41/89/304164189.db2.gz AZQZYEFBIOBSJB-CVEARBPZSA-N 2 0 344.459 1.430 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000236841530 139033211 /nfs/dbraw/zinc/03/32/11/139033211.db2.gz NXSAPQWINMLQRE-UHFFFAOYSA-N 2 0 348.495 1.445 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237084501 139040203 /nfs/dbraw/zinc/04/02/03/139040203.db2.gz IXUQVXNOFSJORX-GOSISDBHSA-N 2 0 345.487 1.535 20 0 EDADRP C[NH2+]CCCC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237208269 139044360 /nfs/dbraw/zinc/04/43/60/139044360.db2.gz DGRMRLKRGSPZAT-CQSZACIVSA-N 2 0 336.455 1.754 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143934 284347184 /nfs/dbraw/zinc/34/71/84/284347184.db2.gz KGASDBGXPGFODT-LSDHHAIUSA-N 2 0 333.480 1.301 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000237434316 139051093 /nfs/dbraw/zinc/05/10/93/139051093.db2.gz QDLDFIBOEIMQHG-AEFFLSMTSA-N 2 0 330.476 1.455 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)N2CCN(C)CC2)C1 ZINC000237493085 139052498 /nfs/dbraw/zinc/05/24/98/139052498.db2.gz AWQRVFBEWJLGEV-QXAKKESOSA-N 2 0 344.503 1.561 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000237564644 139054220 /nfs/dbraw/zinc/05/42/20/139054220.db2.gz XHZCBTUDVWMGOZ-QFBILLFUSA-N 2 0 344.503 1.776 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000237719405 139058623 /nfs/dbraw/zinc/05/86/23/139058623.db2.gz QWBIIRGHSFFOLN-SFHVURJKSA-N 2 0 344.503 1.623 20 0 EDADRP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[NH2+]CCO3)CC2)cc1 ZINC000237723013 139058633 /nfs/dbraw/zinc/05/86/33/139058633.db2.gz DQNCEXWOCIOTON-GOSISDBHSA-N 2 0 331.460 1.312 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000238086350 139068642 /nfs/dbraw/zinc/06/86/42/139068642.db2.gz USTRELVXCDRREI-KRWDZBQOSA-N 2 0 333.501 1.646 20 0 EDADRP Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000415253106 304179553 /nfs/dbraw/zinc/17/95/53/304179553.db2.gz PIHPGRLEAVRGIN-KRWDZBQOSA-N 2 0 336.484 1.953 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+](C2CC2)C1 ZINC000415258156 304180229 /nfs/dbraw/zinc/18/02/29/304180229.db2.gz RFPCVJSRQPYAJE-CYBMUJFWSA-N 2 0 342.443 1.171 20 0 EDADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000567821699 306464477 /nfs/dbraw/zinc/46/44/77/306464477.db2.gz IBXAXMANOQVARU-HNNXBMFYSA-N 2 0 346.479 1.121 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2c2cc(NC)ncn2)[C@H](C)C1 ZINC000246264146 139101567 /nfs/dbraw/zinc/10/15/67/139101567.db2.gz ABJGBTLLZMRREI-OAGGEKHMSA-N 2 0 332.496 1.807 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246802785 139122314 /nfs/dbraw/zinc/12/23/14/139122314.db2.gz MWTVKQCFBUEGPR-HHXXYDBFSA-N 2 0 338.492 1.492 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000246927942 139127370 /nfs/dbraw/zinc/12/73/70/139127370.db2.gz NDWUBFLRBVKRAS-FUHWJXTLSA-N 2 0 334.508 1.987 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000248425922 139163300 /nfs/dbraw/zinc/16/33/00/139163300.db2.gz KAGRIHCRBGXOHP-QZTJIDSGSA-N 2 0 331.460 1.440 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@H](C)C[S@@](C)=O)c2cc1C ZINC000248604126 139168616 /nfs/dbraw/zinc/16/86/16/139168616.db2.gz FAQCRGRJYHDNRS-GGOJBBCOSA-N 2 0 337.489 1.713 20 0 EDADRP CCN(C)CC[NH2+][C@H](C)C[C@H]1COCCN1C(=O)OC(C)(C)C ZINC000248638478 139169512 /nfs/dbraw/zinc/16/95/12/139169512.db2.gz WDCGHAOYUUIRHF-CABCVRRESA-N 2 0 329.485 1.942 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC1(C[NH+]2[C@@H](C)CC(O)C[C@@H]2C)COC1 ZINC000248820434 139176206 /nfs/dbraw/zinc/17/62/06/139176206.db2.gz IUYHAWXRRMDOAV-FDPKGLCPSA-N 2 0 340.508 1.470 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000248818768 139176341 /nfs/dbraw/zinc/17/63/41/139176341.db2.gz UYXPGDMTJPGHEB-FPAYPSAMSA-N 2 0 345.487 1.326 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000249142519 139187332 /nfs/dbraw/zinc/18/73/32/139187332.db2.gz ZODCRHZKEXVGFJ-KLHDSHLOSA-N 2 0 333.476 1.895 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000249375050 139191969 /nfs/dbraw/zinc/19/19/69/139191969.db2.gz XXCKRXLFPDJCHJ-PKOBYXMFSA-N 2 0 346.519 1.679 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000410880959 250392822 /nfs/dbraw/zinc/39/28/22/250392822.db2.gz AXDLWVALZUIELH-UHFFFAOYSA-N 2 0 342.528 1.362 20 0 EDADRP COC[C@]1(C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555630 139208925 /nfs/dbraw/zinc/20/89/25/139208925.db2.gz BNQFWTMWSHFYLJ-QRFRQXIXSA-N 2 0 345.487 1.639 20 0 EDADRP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1CCOCC1 ZINC000261681531 139217168 /nfs/dbraw/zinc/21/71/68/139217168.db2.gz AQRATQACDORTNI-KRWDZBQOSA-N 2 0 349.500 1.928 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000261700060 139218787 /nfs/dbraw/zinc/21/87/87/139218787.db2.gz ORSTZRFWHYBFBH-MDZRGWNJSA-N 2 0 335.492 1.606 20 0 EDADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819632 139228759 /nfs/dbraw/zinc/22/87/59/139228759.db2.gz XVGNVCAQKFNTBR-LJQANCHMSA-N 2 0 344.459 1.813 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261845554 139231012 /nfs/dbraw/zinc/23/10/12/139231012.db2.gz PYLCPDFVSOEFLW-RWSFTLGLSA-N 2 0 340.265 1.819 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000261854525 139231685 /nfs/dbraw/zinc/23/16/85/139231685.db2.gz JSVRJGLIRXZRBZ-JQHSSLGASA-N 2 0 326.444 1.781 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC[C@@H]([NH3+])C1CC1)c1ccc(Br)cc1 ZINC000261889840 139234424 /nfs/dbraw/zinc/23/44/24/139234424.db2.gz VCIVCFZKXGNKQB-OCCSQVGLSA-N 2 0 326.238 1.477 20 0 EDADRP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261873224 139233033 /nfs/dbraw/zinc/23/30/33/139233033.db2.gz DJAJXLTYOQNICB-RCCFBDPRSA-N 2 0 339.524 1.623 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000261966100 139240454 /nfs/dbraw/zinc/24/04/54/139240454.db2.gz QBBOVHFGAAASAQ-GUDVDZBRSA-N 2 0 338.540 1.007 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000261988060 139242092 /nfs/dbraw/zinc/24/20/92/139242092.db2.gz JYBJHZQRMNNCJJ-INIZCTEOSA-N 2 0 342.447 1.087 20 0 EDADRP O=C(CC[N@@H+]1CC[C@H](COCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000261990449 139242112 /nfs/dbraw/zinc/24/21/12/139242112.db2.gz CSFUBCSXDHNBFL-SFHVURJKSA-N 2 0 331.460 1.347 20 0 EDADRP CCc1nc(CN(C(C)=O)[C@@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000262006144 139243383 /nfs/dbraw/zinc/24/33/83/139243383.db2.gz UOAGIEHGEJKBGN-OAHLLOKOSA-N 2 0 335.452 1.054 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000262032779 139245211 /nfs/dbraw/zinc/24/52/11/139245211.db2.gz SMNHSBSGNUNLJH-ZWKOTPCHSA-N 2 0 330.476 1.014 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000262016445 139244155 /nfs/dbraw/zinc/24/41/55/139244155.db2.gz XTYQRUMAQLDOHF-YGRLFVJLSA-N 2 0 326.238 1.430 20 0 EDADRP O=C(NCC1C[NH2+]C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000262021902 139244542 /nfs/dbraw/zinc/24/45/42/139244542.db2.gz MNIFJBNEKJUUQS-MRXNPFEDSA-N 2 0 341.377 1.777 20 0 EDADRP CN1CCN(C(=O)CC2CC[NH+](Cc3cnc(N)s3)CC2)CC1 ZINC000262060579 139247588 /nfs/dbraw/zinc/24/75/88/139247588.db2.gz RCXDJVGGNKDQOV-UHFFFAOYSA-N 2 0 337.493 1.101 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000414953084 250898851 /nfs/dbraw/zinc/89/88/51/250898851.db2.gz ADDQOQIVRFWBLM-CYBMUJFWSA-N 2 0 334.464 1.437 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1OC(C)C ZINC000262164987 139256599 /nfs/dbraw/zinc/25/65/99/139256599.db2.gz UCGBBRAQHDTLAV-KRWDZBQOSA-N 2 0 333.476 1.962 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415561447 251014540 /nfs/dbraw/zinc/01/45/40/251014540.db2.gz WMIDRUHKDQUXIL-AWEZNQCLSA-N 2 0 332.448 1.117 20 0 EDADRP O=C(N1CC[NH+](C2CCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262218743 139260971 /nfs/dbraw/zinc/26/09/71/139260971.db2.gz JIIPQGVAMHBYRA-UHFFFAOYSA-N 2 0 331.464 1.049 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000415573000 304228882 /nfs/dbraw/zinc/22/88/82/304228882.db2.gz VBINPHAHTLAEJS-ZIAGYGMSSA-N 2 0 332.448 1.204 20 0 EDADRP C[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262303493 139268367 /nfs/dbraw/zinc/26/83/67/139268367.db2.gz BTORMZOQWHQPNW-RISCZKNCSA-N 2 0 329.366 1.991 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000416988593 251119088 /nfs/dbraw/zinc/11/90/88/251119088.db2.gz LKAPHJLDAMFGGZ-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N(CC[NH3+])CCO)c1ccsc1 ZINC000417011689 251129854 /nfs/dbraw/zinc/12/98/54/251129854.db2.gz SPURBRCCEFABJV-CQSZACIVSA-N 2 0 328.482 1.094 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000416998721 251125075 /nfs/dbraw/zinc/12/50/75/251125075.db2.gz BJANKKYEWMIWGG-SJORKVTESA-N 2 0 340.512 1.502 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262311571 139269002 /nfs/dbraw/zinc/26/90/02/139269002.db2.gz SSDTYMAMOFDWCX-ROUUACIJSA-N 2 0 344.503 1.832 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417026906 251139870 /nfs/dbraw/zinc/13/98/70/251139870.db2.gz STFKWMCTNOGJDC-HZPDHXFCSA-N 2 0 333.480 1.234 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519679 251183236 /nfs/dbraw/zinc/18/32/36/251183236.db2.gz VQWCEGUWEYFASY-QZTJIDSGSA-N 2 0 348.491 1.747 20 0 EDADRP COCC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000262370112 139273884 /nfs/dbraw/zinc/27/38/84/139273884.db2.gz LWGSTHCOXMPTMI-UHFFFAOYSA-N 2 0 345.487 1.915 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N(C)C1CC([NH3+])C1)c1ccccc1 ZINC000417495810 251179981 /nfs/dbraw/zinc/17/99/81/251179981.db2.gz UXBZEYJOACAFFG-ABHNRTSZSA-N 2 0 348.491 1.827 20 0 EDADRP CN(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC([NH3+])C1 ZINC000417587254 251199542 /nfs/dbraw/zinc/19/95/42/251199542.db2.gz CYRBVJODWZPUIV-UHFFFAOYSA-N 2 0 346.475 1.792 20 0 EDADRP C[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417657132 251216232 /nfs/dbraw/zinc/21/62/32/251216232.db2.gz XRSHBTJDZTZJIG-CQSZACIVSA-N 2 0 344.381 1.798 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)[C@@H](C)C1 ZINC000417666497 251219699 /nfs/dbraw/zinc/21/96/99/251219699.db2.gz CXUHTWJDDIQIAK-IMJJTQAJSA-N 2 0 326.485 1.160 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417696460 251233058 /nfs/dbraw/zinc/23/30/58/251233058.db2.gz GTWDHAMFCDCWPS-OAGGEKHMSA-N 2 0 326.485 1.399 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)[C@H](C)C1 ZINC000417670234 251222019 /nfs/dbraw/zinc/22/20/19/251222019.db2.gz NNDGAASCNBOYEX-LMPOIIKSSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000417827802 251286148 /nfs/dbraw/zinc/28/61/48/251286148.db2.gz OCVBUXMWQHURJW-HOCLYGCPSA-N 2 0 328.526 1.631 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccc(F)cc1 ZINC000417832586 251290129 /nfs/dbraw/zinc/29/01/29/251290129.db2.gz TXBNJYINMYDBRX-RDJZCZTQSA-N 2 0 334.439 1.651 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccc(F)cc1 ZINC000417834850 251290964 /nfs/dbraw/zinc/29/09/64/251290964.db2.gz VPSYJZZTRZDJKB-CALCHBBNSA-N 2 0 348.466 1.899 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H](C(=O)NCC[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000417783450 251268253 /nfs/dbraw/zinc/26/82/53/251268253.db2.gz NHYIKVTUQFVSPZ-CVEARBPZSA-N 2 0 346.475 1.026 20 0 EDADRP C[C@H](CCNC(=O)NCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000417807943 251278296 /nfs/dbraw/zinc/27/82/96/251278296.db2.gz DVZGMEZETRIXJB-QGZVFWFLSA-N 2 0 347.507 1.101 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417814099 251280811 /nfs/dbraw/zinc/28/08/11/251280811.db2.gz RPJDKWHIUUIAAN-JKSUJKDBSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122818 251335774 /nfs/dbraw/zinc/33/57/74/251335774.db2.gz YITFDDUZAPPRFK-RDJZCZTQSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417850429 251296748 /nfs/dbraw/zinc/29/67/48/251296748.db2.gz XORQMZBDMLNUHH-CQSZACIVSA-N 2 0 332.448 1.050 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000418477615 251373804 /nfs/dbraw/zinc/37/38/04/251373804.db2.gz YHDMUGUPQRDUQW-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418474628 251374138 /nfs/dbraw/zinc/37/41/38/251374138.db2.gz PTUZSIRGGWCVQP-QFBILLFUSA-N 2 0 330.476 1.889 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000418192902 251353463 /nfs/dbraw/zinc/35/34/63/251353463.db2.gz ZEDHPODBVPPZMJ-SZVBFZGTSA-N 2 0 348.491 1.746 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418346901 251362374 /nfs/dbraw/zinc/36/23/74/251362374.db2.gz MVRZDVONZIALIC-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C)CCCC[NH3+])C[C@H]1CC ZINC000418716428 251395478 /nfs/dbraw/zinc/39/54/78/251395478.db2.gz YYJALJAVXGHWOR-JKSUJKDBSA-N 2 0 328.501 1.646 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1C ZINC000418641369 251382881 /nfs/dbraw/zinc/38/28/81/251382881.db2.gz SCLVXRLAVBGLQY-QZTJIDSGSA-N 2 0 330.476 1.855 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)CCC[NH3+])CC2)CC1 ZINC000418687150 251386885 /nfs/dbraw/zinc/38/68/85/251386885.db2.gz LMTQQSLOICFARK-INIZCTEOSA-N 2 0 339.528 1.314 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)CCCCCC[NH3+])CC1 ZINC000262626345 139291107 /nfs/dbraw/zinc/29/11/07/139291107.db2.gz BTAZKEQFFPLINW-UHFFFAOYSA-N 2 0 333.480 1.359 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000262638676 139292262 /nfs/dbraw/zinc/29/22/62/139292262.db2.gz JETMZSKZINLCEO-SJORKVTESA-N 2 0 331.460 1.957 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCCC2)c1 ZINC000262643150 139292499 /nfs/dbraw/zinc/29/24/99/139292499.db2.gz MDGTYYHMRBKWFO-SFHVURJKSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH2+]CCCC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262664793 139294522 /nfs/dbraw/zinc/29/45/22/139294522.db2.gz IVOIQASORGOMRP-UHFFFAOYSA-N 2 0 325.497 1.916 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]1CCCC1 ZINC000419976018 251570037 /nfs/dbraw/zinc/57/00/37/251570037.db2.gz BCXRXIUNTUEKJS-CVEARBPZSA-N 2 0 340.512 1.103 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)c2)CC1 ZINC000262685354 139296297 /nfs/dbraw/zinc/29/62/97/139296297.db2.gz XQLMYCWDCAFWAG-HZPDHXFCSA-N 2 0 344.459 1.450 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H](C[NH3+])OC ZINC000262751230 139301186 /nfs/dbraw/zinc/30/11/86/139301186.db2.gz BWYQFBHCQDKMNX-ZWKOTPCHSA-N 2 0 333.476 1.721 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262778707 139303042 /nfs/dbraw/zinc/30/30/42/139303042.db2.gz KMVPJGPZSKANJP-HZPDHXFCSA-N 2 0 339.867 1.957 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)c1 ZINC000262864935 139309009 /nfs/dbraw/zinc/30/90/09/139309009.db2.gz ULLDXQHXLZQIGY-IEBWSBKVSA-N 2 0 344.503 1.621 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000422874054 252008595 /nfs/dbraw/zinc/00/85/95/252008595.db2.gz BZHRLUCPLINSLD-QFBILLFUSA-N 2 0 344.503 1.552 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(C3CCCC3)C2)CC[NH2+]CC1 ZINC000422864207 252004100 /nfs/dbraw/zinc/00/41/00/252004100.db2.gz UPHNRSBOGSNAGO-HZPDHXFCSA-N 2 0 337.508 1.914 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)CC(F)(F)F)CC[NH2+]CC1 ZINC000423010677 252026245 /nfs/dbraw/zinc/02/62/45/252026245.db2.gz HBAZKEZXZGMFBT-QWRGUYRKSA-N 2 0 326.359 1.211 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423094468 252036576 /nfs/dbraw/zinc/03/65/76/252036576.db2.gz BXFIUTNUIGAIDS-TZMCWYRMSA-N 2 0 345.896 1.725 20 0 EDADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423170025 252041160 /nfs/dbraw/zinc/04/11/60/252041160.db2.gz XDABOXOGQSUOMK-YSTOQKLRSA-N 2 0 332.488 1.954 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423353971 252050667 /nfs/dbraw/zinc/05/06/67/252050667.db2.gz CIRPNJIHFFBKRQ-QLFBSQMISA-N 2 0 336.484 1.113 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422908040 252018286 /nfs/dbraw/zinc/01/82/86/252018286.db2.gz CUPKOJPLQCEIOQ-HNNXBMFYSA-N 3 0 330.476 1.210 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422906700 252018382 /nfs/dbraw/zinc/01/83/82/252018382.db2.gz AGEWJFFOYCLQSZ-QZTJIDSGSA-N 2 0 330.476 1.482 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422909490 252020258 /nfs/dbraw/zinc/02/02/58/252020258.db2.gz GCYFSWPPWKXAMQ-QZTJIDSGSA-N 2 0 333.476 1.910 20 0 EDADRP COC(=O)CCN1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000423859237 252094424 /nfs/dbraw/zinc/09/44/24/252094424.db2.gz GWBUVBJNTSTWEP-GDBMZVCRSA-N 2 0 333.432 1.172 20 0 EDADRP [NH3+]C1(CNC(=O)c2csnn2)CC[NH+](Cc2ccccc2)CC1 ZINC000424019895 252115643 /nfs/dbraw/zinc/11/56/43/252115643.db2.gz NDFUVIDSKJIPGI-UHFFFAOYSA-N 2 0 331.445 1.261 20 0 EDADRP [NH3+]C1(CNC(=O)CC[C@@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424025574 252117555 /nfs/dbraw/zinc/11/75/55/252117555.db2.gz ZLQAZAALQSVFKO-SFHVURJKSA-N 3 0 344.503 1.628 20 0 EDADRP C[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCOC1 ZINC000424023364 252117999 /nfs/dbraw/zinc/11/79/99/252117999.db2.gz VNBICPJPGWKFDT-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CCC[NH2+]C2)cc1 ZINC000424140881 252139536 /nfs/dbraw/zinc/13/95/36/252139536.db2.gz FXNRWLMCPVVASQ-GFCCVEGCSA-N 2 0 329.404 1.467 20 0 EDADRP COC[C@@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424213672 252163883 /nfs/dbraw/zinc/16/38/83/252163883.db2.gz AMFNJTSEMYSZHE-NLWGTHIKSA-N 2 0 343.471 1.345 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000424472544 252244864 /nfs/dbraw/zinc/24/48/64/252244864.db2.gz VEGRGSZIVWGCEU-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415615237 304239294 /nfs/dbraw/zinc/23/92/94/304239294.db2.gz OIDLBRMBZLYLSL-JLZZUVOBSA-N 2 0 344.459 1.288 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000424479092 252248781 /nfs/dbraw/zinc/24/87/81/252248781.db2.gz NWUHLOTVFPJQRA-MRXNPFEDSA-N 2 0 340.512 1.646 20 0 EDADRP COC1(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000167522333 532972201 /nfs/dbraw/zinc/97/22/01/532972201.db2.gz UOLLTRZZQXSNIT-UHFFFAOYSA-N 2 0 349.475 1.402 20 0 EDADRP O=S(=O)(NCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339355 285040229 /nfs/dbraw/zinc/04/02/29/285040229.db2.gz YNAPZDCPLPOUSI-JKSUJKDBSA-N 2 0 337.489 1.286 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000569812936 306521535 /nfs/dbraw/zinc/52/15/35/306521535.db2.gz QAWAFOLVSDACCD-DZVNLGKHSA-N 2 0 335.492 1.652 20 0 EDADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263283182 139333001 /nfs/dbraw/zinc/33/30/01/139333001.db2.gz UOULUHNUNYDEJR-OLUVUFQESA-N 2 0 331.229 1.689 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263366853 139338256 /nfs/dbraw/zinc/33/82/56/139338256.db2.gz WJHKJYDGVLWZJJ-WMZOPIPTSA-N 2 0 332.492 1.466 20 0 EDADRP CNC(=O)c1cccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000570150227 306531385 /nfs/dbraw/zinc/53/13/85/306531385.db2.gz YGPSBPKUSZJBOF-QZTJIDSGSA-N 2 0 331.460 1.765 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000570147082 306531289 /nfs/dbraw/zinc/53/12/89/306531289.db2.gz KWBNLQIMKXOWBM-IAGOWNOFSA-N 2 0 340.512 1.442 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CC[NH2+]CC3(C)C)c2)CC1 ZINC000449707794 254644740 /nfs/dbraw/zinc/64/47/40/254644740.db2.gz SLQYIESNJKRQNE-SFHVURJKSA-N 2 0 344.503 1.552 20 0 EDADRP Cc1cccc(CN2CCN(C(=O)CN3C[C@@H]4C[C@H]3CS4)CC2)c1 ZINC000459796810 255002473 /nfs/dbraw/zinc/00/24/73/255002473.db2.gz QWRSYWQLOCTPGB-ROUUACIJSA-N 2 0 345.512 1.829 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H]([C@@H]3CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496278060 255374078 /nfs/dbraw/zinc/37/40/78/255374078.db2.gz WSJMQTVUCOBDBL-IIDMSEBBSA-N 2 0 335.448 1.219 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783100 285279294 /nfs/dbraw/zinc/27/92/94/285279294.db2.gz CGEDGXNSRBUDFY-IRXDYDNUSA-N 2 0 337.508 1.678 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118116616 221121593 /nfs/dbraw/zinc/12/15/93/221121593.db2.gz GSYBEAVXDFQUPH-HNNXBMFYSA-N 2 0 348.491 1.576 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000118721855 221173021 /nfs/dbraw/zinc/17/30/21/221173021.db2.gz MFXJLGYCMRZGDQ-LJQANCHMSA-N 2 0 345.487 1.614 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119047164 221231296 /nfs/dbraw/zinc/23/12/96/221231296.db2.gz QBRZDGORFYUQPL-UHFFFAOYSA-N 2 0 328.501 1.326 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1 ZINC000264104644 139380739 /nfs/dbraw/zinc/38/07/39/139380739.db2.gz FZZQOBBDONHEQX-IBGZPJMESA-N 2 0 344.503 1.898 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357254680 285322355 /nfs/dbraw/zinc/32/23/55/285322355.db2.gz YTXPMROMBBIRDK-AOIWGVFYSA-N 2 0 336.524 1.156 20 0 EDADRP COC(=O)CNC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000171501531 533520873 /nfs/dbraw/zinc/52/08/73/533520873.db2.gz VYAZXDUIBWSUGV-UHFFFAOYSA-N 2 0 347.459 1.120 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000571408253 306564877 /nfs/dbraw/zinc/56/48/77/306564877.db2.gz UDLKEBZABZRMSJ-UYAOXDASSA-N 2 0 344.503 1.487 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000369669317 155132248 /nfs/dbraw/zinc/13/22/48/155132248.db2.gz ZFAGXBSKBKKBIT-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC[NH2+]1 ZINC000332548403 141201227 /nfs/dbraw/zinc/20/12/27/141201227.db2.gz OGCYFIBMUCHAEZ-ZFVVBOAOSA-N 2 0 334.439 1.792 20 0 EDADRP O=C([C@H]1CCn2ccnc2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000333104116 141264693 /nfs/dbraw/zinc/26/46/93/141264693.db2.gz VXUHRHRJEATNRE-DLBZAZTESA-N 2 0 346.475 1.549 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000333398955 141311576 /nfs/dbraw/zinc/31/15/76/141311576.db2.gz YLBFXGCHPUNPFN-CQSZACIVSA-N 2 0 331.464 1.892 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333554899 141335954 /nfs/dbraw/zinc/33/59/54/141335954.db2.gz PTABVUGGCVUAHU-IHXKFAGKSA-N 2 0 334.508 1.733 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000333687072 141358103 /nfs/dbraw/zinc/35/81/03/141358103.db2.gz PJMXUKXWENRQBR-AEFFLSMTSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333853424 141394601 /nfs/dbraw/zinc/39/46/01/141394601.db2.gz OBEJVEJSIIVRAN-CIRFHOKZSA-N 2 0 337.508 1.994 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000339320162 142013714 /nfs/dbraw/zinc/01/37/14/142013714.db2.gz JKQWBFRLODMNSW-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339496548 142060336 /nfs/dbraw/zinc/06/03/36/142060336.db2.gz CDAFXFCBPPUJAP-UHFFFAOYSA-N 2 0 349.523 1.921 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C1 ZINC000339542717 142071701 /nfs/dbraw/zinc/07/17/01/142071701.db2.gz MRTHRPCZZYOMCO-IRXDYDNUSA-N 2 0 338.496 1.080 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000340284146 142329742 /nfs/dbraw/zinc/32/97/42/142329742.db2.gz KYIXHTFFQPIHMF-XCRHUMRWSA-N 2 0 337.439 1.378 20 0 EDADRP CN1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C[C@@H]1c1ccccc1 ZINC000340400092 142377506 /nfs/dbraw/zinc/37/75/06/142377506.db2.gz JCTUTBQKEQFYBU-SJLPKXTDSA-N 2 0 329.448 1.586 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000345757779 143129707 /nfs/dbraw/zinc/12/97/07/143129707.db2.gz UZZZVMHZGSXGNG-OAHLLOKOSA-N 2 0 341.402 1.760 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(N2CCNC2=O)CC1 ZINC000346139496 143171601 /nfs/dbraw/zinc/17/16/01/143171601.db2.gz VXKLSXNNTUKRJH-UHFFFAOYSA-N 2 0 340.431 1.565 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000346839089 143250661 /nfs/dbraw/zinc/25/06/61/143250661.db2.gz YFFUYJJLTIVKIY-BPLDGKMQSA-N 2 0 326.400 1.975 20 0 EDADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)s2)o1 ZINC000347024903 143273088 /nfs/dbraw/zinc/27/30/88/143273088.db2.gz ROAWRCMIANLGPV-CYBMUJFWSA-N 2 0 348.472 1.998 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(OC(F)F)c2)C1 ZINC000347082455 143280456 /nfs/dbraw/zinc/28/04/56/143280456.db2.gz YYUJNKQKAJWACF-ZDUSSCGKSA-N 2 0 327.375 1.575 20 0 EDADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(C)n1 ZINC000347161818 143289527 /nfs/dbraw/zinc/28/95/27/143289527.db2.gz HNTAWFNJPYMSOK-INIZCTEOSA-N 2 0 346.475 1.351 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000347281562 143303568 /nfs/dbraw/zinc/30/35/68/143303568.db2.gz ZJJHIDHOYLYUFB-OAHLLOKOSA-N 2 0 329.448 1.464 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)CCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000347551606 143334117 /nfs/dbraw/zinc/33/41/17/143334117.db2.gz RAJXWKPRYWUARI-HLAWJBBLSA-N 2 0 345.531 1.938 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000347756893 143358783 /nfs/dbraw/zinc/35/87/83/143358783.db2.gz GHSAPOABQDOABS-CVEARBPZSA-N 2 0 340.512 1.166 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341152760 143870452 /nfs/dbraw/zinc/87/04/52/143870452.db2.gz AHDHIGCYRMXEKF-UHFFFAOYSA-N 2 0 344.503 1.823 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CN1CCOCC1 ZINC000573084109 306611073 /nfs/dbraw/zinc/61/10/73/306611073.db2.gz LVSVVKUIVQGMPV-GOSISDBHSA-N 2 0 325.497 1.066 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000416843583 304350936 /nfs/dbraw/zinc/35/09/36/304350936.db2.gz PDRTYVKYTRMIDL-QGZVFWFLSA-N 2 0 332.492 1.848 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[C@@H](C)C1 ZINC000417669688 286060556 /nfs/dbraw/zinc/06/05/56/286060556.db2.gz MSMKHTMKVIPFHF-QZWWFDLISA-N 2 0 340.512 1.502 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH2+]C)[C@@H](C)C1 ZINC000417667204 286060667 /nfs/dbraw/zinc/06/06/67/286060667.db2.gz GFFMQRCUMKLVAQ-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000416857150 304351978 /nfs/dbraw/zinc/35/19/78/304351978.db2.gz RRQOAYYHEKPGEU-ZQIUZPCESA-N 2 0 334.464 1.867 20 0 EDADRP C[C@@H]1C[N@H+](CCCNCc2ncc(CN(C)C)s2)CCCO1 ZINC000352705692 149122935 /nfs/dbraw/zinc/12/29/35/149122935.db2.gz MSPBFBIISGWEMJ-CQSZACIVSA-N 2 0 326.510 1.795 20 0 EDADRP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CN1C1CC1 ZINC000353094201 149283895 /nfs/dbraw/zinc/28/38/95/149283895.db2.gz UWVPSIBNIYABBU-BUICWCOVSA-N 2 0 334.508 1.285 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000353332277 149368362 /nfs/dbraw/zinc/36/83/62/149368362.db2.gz POPRYMHWAOPMHY-KSZLIROESA-N 2 0 341.540 1.510 20 0 EDADRP CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000369928329 155239336 /nfs/dbraw/zinc/23/93/36/155239336.db2.gz QDDAJTBPPMQEIL-IJEWVQPXSA-N 2 0 337.489 1.578 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416974408 304358749 /nfs/dbraw/zinc/35/87/49/304358749.db2.gz LFLURLLIXYEISU-MRXNPFEDSA-N 2 0 330.476 1.697 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000416974552 304358770 /nfs/dbraw/zinc/35/87/70/304358770.db2.gz LYBDNLFCNDLGJH-HOCLYGCPSA-N 2 0 334.464 1.554 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000416979784 304360541 /nfs/dbraw/zinc/36/05/41/304360541.db2.gz XLDOWGKSPLSEKX-WBVHZDCISA-N 2 0 334.464 1.554 20 0 EDADRP COCC1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]CC1 ZINC000358851334 292217984 /nfs/dbraw/zinc/21/79/84/292217984.db2.gz TXYKKSNCCDAQOG-QGZVFWFLSA-N 2 0 333.476 1.292 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369980216 155263744 /nfs/dbraw/zinc/26/37/44/155263744.db2.gz SQOMHYUYCIPGLY-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)nc3)[C@H]2C1 ZINC000355366397 150236550 /nfs/dbraw/zinc/23/65/50/150236550.db2.gz NBDITPROHKNTHM-DLBZAZTESA-N 2 0 332.448 1.078 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000355499268 150293737 /nfs/dbraw/zinc/29/37/37/150293737.db2.gz FOBZVGUEWKIAKV-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C3CCC3)CC2)C1 ZINC000355524863 150302798 /nfs/dbraw/zinc/30/27/98/150302798.db2.gz BITHEHBTUIXNCD-KRWDZBQOSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000356106336 150512968 /nfs/dbraw/zinc/51/29/68/150512968.db2.gz CVBKBSJMRWURED-MRXNPFEDSA-N 2 0 338.496 1.412 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000358860537 286197921 /nfs/dbraw/zinc/19/79/21/286197921.db2.gz DSOJUZQXLKUUGN-JKSUJKDBSA-N 2 0 325.428 1.341 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417049544 304366878 /nfs/dbraw/zinc/36/68/78/304366878.db2.gz UKSCXSDDVHRKON-HZPDHXFCSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@H]1C[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000356960066 150869426 /nfs/dbraw/zinc/86/94/26/150869426.db2.gz USSOEZYHINFSGM-IRXDYDNUSA-N 2 0 342.528 1.717 20 0 EDADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357926916 151199033 /nfs/dbraw/zinc/19/90/33/151199033.db2.gz KPIMINGKLWANIO-CMKODMSKSA-N 2 0 343.471 1.224 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357972685 151217040 /nfs/dbraw/zinc/21/70/40/151217040.db2.gz JZZGOFPQZVBUIL-KBPBESRZSA-N 2 0 328.526 1.596 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049399 151247178 /nfs/dbraw/zinc/24/71/78/151247178.db2.gz RSAFAZAGGHLQHR-KXBFYZLASA-N 2 0 344.503 1.550 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000358270594 151322280 /nfs/dbraw/zinc/32/22/80/151322280.db2.gz DQUOYIFUGRMZAM-UHFFFAOYSA-N 2 0 332.448 1.471 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000358286867 151326358 /nfs/dbraw/zinc/32/63/58/151326358.db2.gz BQSQSHDBTVTHPT-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)Nc1cccc2c1OCO2 ZINC000360377251 152011992 /nfs/dbraw/zinc/01/19/92/152011992.db2.gz AUAPKMGQQOEQTK-UHFFFAOYSA-N 2 0 348.447 1.905 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360403529 152023504 /nfs/dbraw/zinc/02/35/04/152023504.db2.gz SZOYMSZSQJLIKQ-QGZVFWFLSA-N 2 0 342.553 1.845 20 0 EDADRP Cn1nccc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360528174 152082084 /nfs/dbraw/zinc/08/20/84/152082084.db2.gz KVVWTDQCBZUMNS-UHFFFAOYSA-N 2 0 343.435 1.149 20 0 EDADRP CSC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC000360692695 152155120 /nfs/dbraw/zinc/15/51/20/152155120.db2.gz JKVPPHJFOAOKPY-LSDHHAIUSA-N 2 0 340.537 1.692 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CCCOC)CC2)C1(C)C ZINC000188163413 286306312 /nfs/dbraw/zinc/30/63/12/286306312.db2.gz KNWJRZLKJHDGLA-CRAIPNDOSA-N 2 0 341.496 1.136 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360896606 152244247 /nfs/dbraw/zinc/24/42/47/152244247.db2.gz RRMBOVDLTBBBAP-SJORKVTESA-N 2 0 342.528 1.499 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417152755 304378527 /nfs/dbraw/zinc/37/85/27/304378527.db2.gz IJLCFNJVWZXGLT-YJBOKZPZSA-N 2 0 345.491 1.957 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)([NH+](C)C)C1 ZINC000362563753 152744760 /nfs/dbraw/zinc/74/47/60/152744760.db2.gz CIAMFEKRZGAXRF-GLJUWKHASA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)ccn1 ZINC000367095383 154008019 /nfs/dbraw/zinc/00/80/19/154008019.db2.gz AGEITTBZVGCMGY-IRXDYDNUSA-N 2 0 346.475 1.513 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000367188181 154034683 /nfs/dbraw/zinc/03/46/83/154034683.db2.gz UHENNZOWOZJBLG-NCXUSEDFSA-N 2 0 343.471 1.502 20 0 EDADRP COC[C@H](O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000367230286 154048662 /nfs/dbraw/zinc/04/86/62/154048662.db2.gz YNHSUIHDVZBQPC-GOSISDBHSA-N 2 0 327.513 1.122 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000369501803 155061366 /nfs/dbraw/zinc/06/13/66/155061366.db2.gz URKDFTZUHIOYSJ-ROUUACIJSA-N 2 0 348.491 1.218 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCn2ccnc2C1 ZINC000369501431 155061623 /nfs/dbraw/zinc/06/16/23/155061623.db2.gz SFMGUWMRAGTCQK-HNNXBMFYSA-N 2 0 342.443 1.816 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000370501436 155524503 /nfs/dbraw/zinc/52/45/03/155524503.db2.gz XNEAZPAHIPAUTN-KRWDZBQOSA-N 2 0 327.513 1.123 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000417477426 304398991 /nfs/dbraw/zinc/39/89/91/304398991.db2.gz GNJHEHVNMCRTLA-DLBZAZTESA-N 2 0 348.491 1.944 20 0 EDADRP Cc1ncc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000374228396 157203577 /nfs/dbraw/zinc/20/35/77/157203577.db2.gz GQYUPSHJKBNIMH-HNNXBMFYSA-N 2 0 343.475 1.561 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1(C)C ZINC000374241089 157210331 /nfs/dbraw/zinc/21/03/31/157210331.db2.gz JMDVSNIHJADACO-UHFFFAOYSA-N 2 0 345.535 1.662 20 0 EDADRP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000374460748 157298273 /nfs/dbraw/zinc/29/82/73/157298273.db2.gz JEKSXAUUMCVOPF-SJLPKXTDSA-N 2 0 333.476 1.591 20 0 EDADRP CN1CCN(C2CCN(Cc3cn4ccccc4n3)CC2)C(=O)C1 ZINC000374730304 157380608 /nfs/dbraw/zinc/38/06/08/157380608.db2.gz HZJTUEVTIZULAR-UHFFFAOYSA-N 2 0 327.432 1.073 20 0 EDADRP CNc1cc(N2CCC[C@@H]2CNC(=O)C23CCC[NH+]2CCC3)ncn1 ZINC000377891498 158021571 /nfs/dbraw/zinc/02/15/71/158021571.db2.gz BYHMPNHGEQCJTN-CQSZACIVSA-N 2 0 344.463 1.232 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2F)CC1 ZINC000378211230 158111418 /nfs/dbraw/zinc/11/14/18/158111418.db2.gz PDWPKJLIQFBSJP-INIZCTEOSA-N 2 0 339.480 1.987 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H](c2nccn2C)C1 ZINC000378265011 158124061 /nfs/dbraw/zinc/12/40/61/158124061.db2.gz SVYRNYHJHQVMKX-HOCLYGCPSA-N 2 0 334.464 1.529 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000378297714 158132047 /nfs/dbraw/zinc/13/20/47/158132047.db2.gz FVUSFPPOEWRJRH-JKSUJKDBSA-N 2 0 343.537 1.431 20 0 EDADRP CC[C@H](C)[C@@H](O)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378305335 158134558 /nfs/dbraw/zinc/13/45/58/158134558.db2.gz BNHGRKGYOFYSAY-MAUKXSAKSA-N 2 0 339.524 1.706 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417907287 304429728 /nfs/dbraw/zinc/42/97/28/304429728.db2.gz GQLCVUVOJGSSFC-OWCLPIDISA-N 2 0 326.485 1.037 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)ccn1 ZINC000417949412 304436637 /nfs/dbraw/zinc/43/66/37/304436637.db2.gz KDWFZFMLADUAKE-MRXNPFEDSA-N 2 0 349.479 1.339 20 0 EDADRP CC1(C)C[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000352454861 162190704 /nfs/dbraw/zinc/19/07/04/162190704.db2.gz DVJRDMKRVKMIMS-MRXNPFEDSA-N 2 0 345.491 1.939 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(CCCOC)C1CC[NH+](C)CC1 ZINC000352531343 162234733 /nfs/dbraw/zinc/23/47/33/162234733.db2.gz PRCJNJOWYBEVHK-UHFFFAOYSA-N 2 0 349.541 1.091 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NCCC[NH2+]Cc2cccnc2)CCCC1 ZINC000418029000 304448329 /nfs/dbraw/zinc/44/83/29/304448329.db2.gz QZBJMUZJOXSQOG-UHFFFAOYSA-N 2 0 347.507 1.983 20 0 EDADRP C[NH+]1CCC(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000073244798 287258887 /nfs/dbraw/zinc/25/88/87/287258887.db2.gz XMIJKXBDXJSCFE-UHFFFAOYSA-N 2 0 344.503 1.657 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000074109425 287267640 /nfs/dbraw/zinc/26/76/40/287267640.db2.gz MXWYDPCSKFPLAE-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418284304 304474078 /nfs/dbraw/zinc/47/40/78/304474078.db2.gz BNVKZQWRFABEIA-MSOLQXFVSA-N 2 0 346.475 1.582 20 0 EDADRP Cn1nccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000080203526 287305554 /nfs/dbraw/zinc/30/55/54/287305554.db2.gz ZBJRKHZUVXEOFC-UHFFFAOYSA-N 2 0 341.459 1.536 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000659431677 452276301 /nfs/dbraw/zinc/27/63/01/452276301.db2.gz PWTFTQAVMUEGOW-OAGGEKHMSA-N 2 0 328.476 1.968 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000122057808 222005675 /nfs/dbraw/zinc/00/56/75/222005675.db2.gz BHQWBTKBUHKEQB-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000122345436 222067182 /nfs/dbraw/zinc/06/71/82/222067182.db2.gz QCKBGYMSPOBQRC-BEFAXECRSA-N 2 0 348.491 1.045 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000659622267 452480642 /nfs/dbraw/zinc/48/06/42/452480642.db2.gz PVVPFBNKHIXQJJ-HZPDHXFCSA-N 2 0 328.501 1.502 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175805498 267554099 /nfs/dbraw/zinc/55/40/99/267554099.db2.gz ZIVNXNJRXNLQLE-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274548649 273095375 /nfs/dbraw/zinc/09/53/75/273095375.db2.gz DDXMFJLHPKWCNI-HXUWFJFHSA-N 2 0 344.503 1.847 20 0 EDADRP CC1=NN(c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)CC1 ZINC000104533420 272919612 /nfs/dbraw/zinc/91/96/12/272919612.db2.gz NZWIVKUVJNVYSM-UHFFFAOYSA-N 2 0 345.491 1.838 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175631120 272937118 /nfs/dbraw/zinc/93/71/18/272937118.db2.gz FKBRRVFKDSPHTJ-QGZVFWFLSA-N 2 0 338.496 1.226 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+](C)C)cc1 ZINC000655915475 452674219 /nfs/dbraw/zinc/67/42/19/452674219.db2.gz VHPHUTSVXGDUCM-STQMWFEESA-N 2 0 332.370 1.787 20 0 EDADRP C[C@H](O)C[NH+]1CCN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284225588 274123570 /nfs/dbraw/zinc/12/35/70/274123570.db2.gz USPVNXZKHXHMQE-ICSRJNTNSA-N 2 0 347.503 1.276 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284229292 274125234 /nfs/dbraw/zinc/12/52/34/274125234.db2.gz DXLAXYVLASXYID-HNNXBMFYSA-N 2 0 329.448 1.338 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000377749874 277027196 /nfs/dbraw/zinc/02/71/96/277027196.db2.gz TWVDTLHEFARFFX-UHFFFAOYSA-N 2 0 334.508 1.290 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000378207869 277106129 /nfs/dbraw/zinc/10/61/29/277106129.db2.gz SOHUQZJGYXBACF-QYZOEREBSA-N 2 0 344.503 1.609 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000342764639 277319898 /nfs/dbraw/zinc/31/98/98/277319898.db2.gz JDOZWTYQXWDFQX-BMFZPTHFSA-N 2 0 333.432 1.219 20 0 EDADRP C[C@@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC000492606177 277571912 /nfs/dbraw/zinc/57/19/12/277571912.db2.gz CXFIJRSYADFBOD-HNNXBMFYSA-N 2 0 341.496 1.944 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)C1=CC[NH+](C)CC1 ZINC000371587996 278242235 /nfs/dbraw/zinc/24/22/35/278242235.db2.gz ITMJWUKYFQPJPY-OWLYRPNTSA-N 2 0 332.492 1.763 20 0 EDADRP C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000422833574 278344225 /nfs/dbraw/zinc/34/42/25/278344225.db2.gz WFJXGBJMXYSZQM-CABCVRRESA-N 2 0 336.480 1.751 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000424045069 278350877 /nfs/dbraw/zinc/35/08/77/278350877.db2.gz STYMWPMLZFXEFO-ZWKOTPCHSA-N 2 0 349.519 1.866 20 0 EDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)CC1(C)C ZINC000496204125 279034160 /nfs/dbraw/zinc/03/41/60/279034160.db2.gz DOKOFCVETBGDKJ-GJZGRUSLSA-N 2 0 343.512 1.924 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000120485800 279158246 /nfs/dbraw/zinc/15/82/46/279158246.db2.gz BIFQRCKWQUYKCN-BZUAXINKSA-N 2 0 328.501 1.515 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000420335014 279284619 /nfs/dbraw/zinc/28/46/19/279284619.db2.gz UREXZSXNTQNPER-MRXNPFEDSA-N 2 0 337.508 1.853 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339076620 279314577 /nfs/dbraw/zinc/31/45/77/279314577.db2.gz VMUAIVLHSXYGEG-QRVBRYPASA-N 2 0 343.519 1.809 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)C[C@@H](C)O1 ZINC000422913363 288161596 /nfs/dbraw/zinc/16/15/96/288161596.db2.gz PUKCLVDUFFBQIS-XYVMCAHJSA-N 2 0 325.497 1.232 20 0 EDADRP CC[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)C1(C(=O)OC)CCC1 ZINC000353845982 280189348 /nfs/dbraw/zinc/18/93/48/280189348.db2.gz PBXNQUNJKNLYSG-JKSUJKDBSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417012240 280243584 /nfs/dbraw/zinc/24/35/84/280243584.db2.gz WLSHBQBBHMDUPE-HOTGVXAUSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000287930926 288359674 /nfs/dbraw/zinc/35/96/74/288359674.db2.gz GMDLVGZOBXEWFH-RDJZCZTQSA-N 2 0 348.491 1.434 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000290129609 288845008 /nfs/dbraw/zinc/84/50/08/288845008.db2.gz ZIZGAQVEQHZMRL-MRXNPFEDSA-N 2 0 335.448 1.377 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n(C)c1C ZINC000291107616 289002396 /nfs/dbraw/zinc/00/23/96/289002396.db2.gz BNWUGFPOVFBZHQ-UHFFFAOYSA-N 2 0 349.475 1.664 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000291670335 289144608 /nfs/dbraw/zinc/14/46/08/289144608.db2.gz BEDBIWYCXPFFNM-ZHALLVOQSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)CCO)CCN1C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000291872424 289202607 /nfs/dbraw/zinc/20/26/07/289202607.db2.gz ILCKNMQMCKUTJI-SJLPKXTDSA-N 2 0 348.491 1.215 20 0 EDADRP C[NH+]1CCC(CC(=O)NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000292081663 289256961 /nfs/dbraw/zinc/25/69/61/289256961.db2.gz HVEVEFMPLPJOFQ-LJQANCHMSA-N 2 0 345.487 1.254 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358521196 289333421 /nfs/dbraw/zinc/33/34/21/289333421.db2.gz XIRBWPLLINZPPK-CQSZACIVSA-N 2 0 336.480 1.609 20 0 EDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000292442344 289348774 /nfs/dbraw/zinc/34/87/74/289348774.db2.gz ONFFCTNHLPUHFH-GJZGRUSLSA-N 2 0 337.489 1.238 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CC[NH+](C)CC1 ZINC000418196823 295577392 /nfs/dbraw/zinc/57/73/92/295577392.db2.gz IIYVRZLIGGXOOK-KGLIPLIRSA-N 2 0 326.510 1.207 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418555439 304512486 /nfs/dbraw/zinc/51/24/86/304512486.db2.gz DTGPAVYISAACSH-RHSMWYFYSA-N 2 0 336.455 1.897 20 0 EDADRP C[C@H](C[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494660130 298888170 /nfs/dbraw/zinc/88/81/70/298888170.db2.gz URLQOVQVEOTJRY-UONOGXRCSA-N 2 0 329.485 1.725 20 0 EDADRP C[C@@H](NC(=O)C(=O)N(CC[NH3+])Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000419539528 304633376 /nfs/dbraw/zinc/63/33/76/304633376.db2.gz GBVCBUWKIMHHSF-OAHLLOKOSA-N 2 0 348.491 1.066 20 0 EDADRP C[C@H]1CC[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000459165494 300067659 /nfs/dbraw/zinc/06/76/59/300067659.db2.gz MMKFNPUTEFHADD-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000419812114 304688244 /nfs/dbraw/zinc/68/82/44/304688244.db2.gz GLPUYBXHRLCSMZ-GJZGRUSLSA-N 2 0 346.475 1.171 20 0 EDADRP [NH3+]CC1(O)CC[NH+]([C@@H](C(=O)N2CCCCC2)c2ccccc2)CC1 ZINC000420399101 304755463 /nfs/dbraw/zinc/75/54/63/304755463.db2.gz BLUHQWJNCWRGHT-QGZVFWFLSA-N 2 0 331.460 1.526 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418160162 302204584 /nfs/dbraw/zinc/20/45/84/302204584.db2.gz BAYFIIFKGGGYDY-CUSZFKRNSA-N 2 0 330.476 1.847 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419655649 447324546 /nfs/dbraw/zinc/32/45/46/447324546.db2.gz UECGUJAMRSNASK-IJEWVQPXSA-N 2 0 346.475 1.038 20 0 EDADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)C[NH+](C)C ZINC000294002569 303049957 /nfs/dbraw/zinc/04/99/57/303049957.db2.gz YWDHWWZIDNEOJW-MRXNPFEDSA-N 2 0 347.503 1.818 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[nH]c1C ZINC000295168643 303183171 /nfs/dbraw/zinc/18/31/71/303183171.db2.gz LDANRHOUPTWOHL-INIZCTEOSA-N 2 0 337.464 1.826 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000295210601 303189252 /nfs/dbraw/zinc/18/92/52/303189252.db2.gz ALXPVBGTMNMOFP-GOSISDBHSA-N 2 0 346.519 1.699 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333884846 303397597 /nfs/dbraw/zinc/39/75/97/303397597.db2.gz WYJYMMDTKQHKHQ-QAETUUGQSA-N 2 0 338.496 1.432 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000419660804 447329717 /nfs/dbraw/zinc/32/97/17/447329717.db2.gz CYZKUFVWDOLHFY-JKSUJKDBSA-N 2 0 340.512 1.197 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000299744071 303657136 /nfs/dbraw/zinc/65/71/36/303657136.db2.gz QQOUQHFZSHERNX-PKOBYXMFSA-N 2 0 348.491 1.542 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2CC)c1 ZINC000414877107 447338627 /nfs/dbraw/zinc/33/86/27/447338627.db2.gz LJYCXCZMZIVWEC-QGZVFWFLSA-N 2 0 346.475 1.725 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C(C)C)CC2)c1 ZINC000377759572 447340512 /nfs/dbraw/zinc/34/05/12/447340512.db2.gz ZWBWPDXJHNAOTJ-RDJZCZTQSA-N 2 0 332.448 1.373 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000414879595 447340599 /nfs/dbraw/zinc/34/05/99/447340599.db2.gz PEBJNCXEQCNORT-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422913946 304879909 /nfs/dbraw/zinc/87/99/09/304879909.db2.gz ZNWXPEHENRXRGN-ZWKOTPCHSA-N 2 0 330.476 1.664 20 0 EDADRP Brc1cc2c(s1)CC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423207556 304889478 /nfs/dbraw/zinc/88/94/78/304889478.db2.gz RVULCHBWNMZUKI-NSHDSACASA-N 2 0 330.295 1.993 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423314037 304892286 /nfs/dbraw/zinc/89/22/86/304892286.db2.gz XXNJWYYMQUXHAD-HNNXBMFYSA-N 2 0 333.480 1.873 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000423441451 304896398 /nfs/dbraw/zinc/89/63/98/304896398.db2.gz PDMRHWJUZNOWKH-WBVHZDCISA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)cn2)CC1 ZINC000423731429 304906794 /nfs/dbraw/zinc/90/67/94/304906794.db2.gz OAQOATLXPJHUKN-UHFFFAOYSA-N 2 0 331.464 1.552 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428699908 305015000 /nfs/dbraw/zinc/01/50/00/305015000.db2.gz JNADCMJHQASGIY-LJQANCHMSA-N 2 0 333.476 1.424 20 0 EDADRP C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000429163416 305024822 /nfs/dbraw/zinc/02/48/22/305024822.db2.gz NDAXHTYIHDGVII-HKUYNNGSSA-N 2 0 344.503 1.785 20 0 EDADRP COc1ccc(NC(=O)CC[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430567618 305056274 /nfs/dbraw/zinc/05/62/74/305056274.db2.gz FWNYMWFSUKYOHK-UHFFFAOYSA-N 2 0 335.448 1.854 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)C1 ZINC000430772433 305064485 /nfs/dbraw/zinc/06/44/85/305064485.db2.gz BBRVKZVZXAEWOG-QZTJIDSGSA-N 2 0 333.476 1.688 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)C(C)(C)C[NH3+])CCOCC1)c1ccccc1 ZINC000430771734 305064525 /nfs/dbraw/zinc/06/45/25/305064525.db2.gz FUMJZRSMMRGOND-OAHLLOKOSA-N 2 0 333.476 1.988 20 0 EDADRP O=C(CN1CC[NH2+]Cc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000430957896 305070950 /nfs/dbraw/zinc/07/09/50/305070950.db2.gz QTBZUSWKXJMTMP-UHFFFAOYSA-N 2 0 328.460 1.339 20 0 EDADRP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431028525 305073105 /nfs/dbraw/zinc/07/31/05/305073105.db2.gz ROFQQAOZKNAZGF-UHFFFAOYSA-N 2 0 345.487 1.874 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431831552 305083517 /nfs/dbraw/zinc/08/35/17/305083517.db2.gz MMADDYJDRXLYPF-ROUUACIJSA-N 2 0 333.476 1.595 20 0 EDADRP CN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)c2ccccc2C1 ZINC000433117059 305100931 /nfs/dbraw/zinc/10/09/31/305100931.db2.gz NMVUSYRBHIGLGB-UHFFFAOYSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1ccc(C(=O)N(C)C)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433126258 305101264 /nfs/dbraw/zinc/10/12/64/305101264.db2.gz NSHMHHMPJQWLCS-UHFFFAOYSA-N 2 0 346.475 1.839 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433279023 305104506 /nfs/dbraw/zinc/10/45/06/305104506.db2.gz NQYXNIINDNUJAP-MRXNPFEDSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000433399434 305107865 /nfs/dbraw/zinc/10/78/65/305107865.db2.gz JDZIRQSRYBNYHG-KKUMJFAQSA-N 2 0 334.468 1.147 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCOc1ccc(F)cc1 ZINC000436049561 305151306 /nfs/dbraw/zinc/15/13/06/305151306.db2.gz HJIPIMBBPKMEEV-MRXNPFEDSA-N 2 0 337.439 1.914 20 0 EDADRP COc1cccc(CCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000436055226 305151426 /nfs/dbraw/zinc/15/14/26/305151426.db2.gz SSDZKUFULBXWKC-KRWDZBQOSA-N 2 0 333.476 1.947 20 0 EDADRP CN(C)C(=O)[C@H]1CC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000436471905 305157715 /nfs/dbraw/zinc/15/77/15/305157715.db2.gz XDKKFMQROVUFJE-IAGOWNOFSA-N 2 0 332.448 1.276 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000438113776 305181361 /nfs/dbraw/zinc/18/13/61/305181361.db2.gz GOMHWWHFDPUORS-UHFFFAOYSA-N 2 0 336.480 1.837 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC[N@@H+]2CCCC(C)(C)C2)CCSC1 ZINC000445103420 305256352 /nfs/dbraw/zinc/25/63/52/305256352.db2.gz FLYLORQZWJDHGC-KRWDZBQOSA-N 2 0 342.553 1.845 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000445623724 305259301 /nfs/dbraw/zinc/25/93/01/305259301.db2.gz LXBVOHYYRIDHIG-MRXNPFEDSA-N 2 0 346.475 1.330 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448262446 305294969 /nfs/dbraw/zinc/29/49/69/305294969.db2.gz XLDFHDUCGHVMSB-MRXNPFEDSA-N 2 0 340.512 1.205 20 0 EDADRP Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000448679368 305301266 /nfs/dbraw/zinc/30/12/66/305301266.db2.gz CJDCMNJSFBXOHL-HUUCEWRRSA-N 2 0 348.491 1.355 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@H]1CC ZINC000449347815 305312124 /nfs/dbraw/zinc/31/21/24/305312124.db2.gz JGDIEXMWIGQSDE-BBWFWOEESA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@]3(CCSC3)C2)CC1 ZINC000451964145 305374648 /nfs/dbraw/zinc/37/46/48/305374648.db2.gz JOJLVSTZFPAJDU-KRWDZBQOSA-N 2 0 325.522 1.806 20 0 EDADRP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000452022056 305379163 /nfs/dbraw/zinc/37/91/63/305379163.db2.gz OZGCQNXJUPNCLR-BRWVUGGUSA-N 2 0 341.496 1.007 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425894920 447351911 /nfs/dbraw/zinc/35/19/11/447351911.db2.gz HNJGGLSJNHXTRT-KRWDZBQOSA-N 2 0 336.480 1.588 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000516091264 305732703 /nfs/dbraw/zinc/73/27/03/305732703.db2.gz HTKBJPRVTOHYJB-RDJZCZTQSA-N 2 0 332.448 1.493 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000518176485 305759668 /nfs/dbraw/zinc/75/96/68/305759668.db2.gz VPBDHQCRIDVMRU-YJBOKZPZSA-N 2 0 336.524 1.569 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000419705806 447361622 /nfs/dbraw/zinc/36/16/22/447361622.db2.gz BTQAYGNEELYYHK-BZUAXINKSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)O1 ZINC000449122301 447362132 /nfs/dbraw/zinc/36/21/32/447362132.db2.gz KYJGACBTFJHNKF-ZACQAIPSSA-N 2 0 333.480 1.534 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529334229 305909886 /nfs/dbraw/zinc/90/98/86/305909886.db2.gz RXRZXHCSCFIDNR-HNNXBMFYSA-N 2 0 326.485 1.256 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000419713371 447366632 /nfs/dbraw/zinc/36/66/32/447366632.db2.gz QYSYQJHCBHKERI-UHFFFAOYSA-N 2 0 348.491 1.041 20 0 EDADRP CN(CCC(=O)N1CC[NH+](C2CCOCC2)CC1)c1cc[nH+]cc1 ZINC000540925907 306041855 /nfs/dbraw/zinc/04/18/55/306041855.db2.gz FOTRJLRGYOWPCD-UHFFFAOYSA-N 2 0 332.448 1.231 20 0 EDADRP CN(CCC(=O)N1CCN(CC[NH+]2CCCC2)CC1)c1cc[nH+]cc1 ZINC000541857133 306048321 /nfs/dbraw/zinc/04/83/21/306048321.db2.gz LWHNSBDOBHLJBU-UHFFFAOYSA-N 2 0 345.491 1.148 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000545197946 306082054 /nfs/dbraw/zinc/08/20/54/306082054.db2.gz MKDYPWXKOZYTEZ-UHFFFAOYSA-N 2 0 333.480 1.270 20 0 EDADRP Cc1cc(NC(=O)N2CC[C@@H](C[NH+](C)C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000547543027 306103662 /nfs/dbraw/zinc/10/36/62/306103662.db2.gz MQADZLGENVENAJ-HNNXBMFYSA-N 2 0 348.495 1.874 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C)C1 ZINC000550777459 306154194 /nfs/dbraw/zinc/15/41/94/306154194.db2.gz DFXFWIOWDBFOQA-MRXNPFEDSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C[N@@H+]2CCC(C)(C)C2)c1 ZINC000557542210 306229102 /nfs/dbraw/zinc/22/91/02/306229102.db2.gz DVEBFZVZHNXYCP-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[NH+]2C)C1 ZINC000422142619 447368484 /nfs/dbraw/zinc/36/84/84/447368484.db2.gz ONMIPNNALPUGMK-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414948495 447368753 /nfs/dbraw/zinc/36/87/53/447368753.db2.gz XKBXCYURQQUHAA-MLGOLLRUSA-N 2 0 330.432 1.073 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@@H]2CCC[NH+]2C)C1 ZINC000422142620 447369140 /nfs/dbraw/zinc/36/91/40/447369140.db2.gz ONMIPNNALPUGMK-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP Cc1cccn2c(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cnc12 ZINC000414968777 447378466 /nfs/dbraw/zinc/37/84/66/447378466.db2.gz GKOBVCVFLCHHTB-CQSZACIVSA-N 2 0 341.381 1.568 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000426145950 447395831 /nfs/dbraw/zinc/39/58/31/447395831.db2.gz PLEMEJYWEFWUPZ-ROUUACIJSA-N 2 0 338.540 1.735 20 0 EDADRP Cc1cc(NC(=O)[C@@H](C)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)on1 ZINC000378298309 447415166 /nfs/dbraw/zinc/41/51/66/447415166.db2.gz YEHDAYWVCNPMKU-GDBMZVCRSA-N 2 0 349.479 1.410 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419805308 447423821 /nfs/dbraw/zinc/42/38/21/447423821.db2.gz GXBQVTWEOPDUNO-HZPDHXFCSA-N 2 0 334.464 1.039 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000415435619 447436891 /nfs/dbraw/zinc/43/68/91/447436891.db2.gz JJYNSIFWEHPNAI-ZFWWWQNUSA-N 2 0 332.448 1.273 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000070815619 441121776 /nfs/dbraw/zinc/12/17/76/441121776.db2.gz AKFBIYUVMYDRCG-ZBFHGGJFSA-N 2 0 330.432 1.074 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CC1 ZINC000069936947 441092653 /nfs/dbraw/zinc/09/26/53/441092653.db2.gz NMRSGPCRJUCOIG-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C(=O)NCCCC[NH3+])CC1 ZINC000419830827 447437822 /nfs/dbraw/zinc/43/78/22/447437822.db2.gz KTJSEAGBGLKUPN-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000080457875 441172415 /nfs/dbraw/zinc/17/24/15/441172415.db2.gz LBJMCOTTYCJCQQ-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP COCCOc1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000105476398 441256650 /nfs/dbraw/zinc/25/66/50/441256650.db2.gz SBECUDOZRVRMRI-UHFFFAOYSA-N 2 0 335.492 1.829 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000072812371 441261455 /nfs/dbraw/zinc/26/14/55/441261455.db2.gz HQHDZWNUMGDUIX-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@H](CCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000458655488 447439990 /nfs/dbraw/zinc/43/99/90/447439990.db2.gz PFOMEUVQIWOXPO-SJORKVTESA-N 2 0 340.512 1.397 20 0 EDADRP CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000073988323 441378117 /nfs/dbraw/zinc/37/81/17/441378117.db2.gz RNMHVUFYLRBMSK-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000074221529 441410376 /nfs/dbraw/zinc/41/03/76/441410376.db2.gz UWGCQRPBEBLVBX-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958165 441428810 /nfs/dbraw/zinc/42/88/10/441428810.db2.gz WKYBIGTWACBAEQ-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000085391112 441437688 /nfs/dbraw/zinc/43/76/88/441437688.db2.gz RHPJHKPJFOXRPS-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@@H](C)O1 ZINC000108547284 441462562 /nfs/dbraw/zinc/46/25/62/441462562.db2.gz ILAYMEODDAJHQW-BFYDXBDKSA-N 2 0 338.496 1.269 20 0 EDADRP CCC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000109786269 441506586 /nfs/dbraw/zinc/50/65/86/441506586.db2.gz NRZHRLOTIJMAPX-UHFFFAOYSA-N 2 0 346.475 1.920 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+]C2CCN(C(N)=O)CC2)cc1 ZINC000113352331 441602760 /nfs/dbraw/zinc/60/27/60/441602760.db2.gz GUQGUZMMOSPVGC-UHFFFAOYSA-N 2 0 334.464 1.650 20 0 EDADRP C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090884948 441646090 /nfs/dbraw/zinc/64/60/90/441646090.db2.gz ZHQVSUVPWIOYKF-KDOFPFPSSA-N 2 0 332.448 1.745 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCCC1 ZINC000041599205 441662661 /nfs/dbraw/zinc/66/26/61/441662661.db2.gz YVCNNWQDIXNOAK-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000137460767 441770328 /nfs/dbraw/zinc/77/03/28/441770328.db2.gz PKSIBYDXMRVMRO-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)CC)[C@@H](C)C1 ZINC000115811769 441781082 /nfs/dbraw/zinc/78/10/82/441781082.db2.gz MWHJXNVVIJWZKX-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ccc1OC(F)F ZINC000077450348 441782857 /nfs/dbraw/zinc/78/28/57/441782857.db2.gz ONTUSZRJTKSZBL-UHFFFAOYSA-N 2 0 330.375 1.843 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000138331382 441787915 /nfs/dbraw/zinc/78/79/15/441787915.db2.gz AQGRTBMVMVIKJS-HNNXBMFYSA-N 2 0 329.448 1.353 20 0 EDADRP C[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000043180038 441824920 /nfs/dbraw/zinc/82/49/20/441824920.db2.gz KCDCMIMRKGLDCH-UHFFFAOYSA-N 2 0 331.464 1.439 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000092923879 441841369 /nfs/dbraw/zinc/84/13/69/441841369.db2.gz GCERDWQQKYUAPV-UKRRQHHQSA-N 2 0 339.447 1.698 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CCOCC1 ZINC000174487656 441929837 /nfs/dbraw/zinc/92/98/37/441929837.db2.gz YGUVEPLGVKXKID-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2c[nH]nc2C1 ZINC000079886209 442094151 /nfs/dbraw/zinc/09/41/51/442094151.db2.gz GYFMDPAUYNZWIP-WBVHZDCISA-N 2 0 347.507 1.389 20 0 EDADRP C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000162201764 442073166 /nfs/dbraw/zinc/07/31/66/442073166.db2.gz MFDKMRNFMPMUSA-INIZCTEOSA-N 2 0 345.487 1.790 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000162914572 442130910 /nfs/dbraw/zinc/13/09/10/442130910.db2.gz PESPQBDWYFVAMC-KRWDZBQOSA-N 2 0 332.492 1.832 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000120860612 442143012 /nfs/dbraw/zinc/14/30/12/442143012.db2.gz NTOXHNAIQNIBHN-CABCVRRESA-N 2 0 336.484 1.639 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000121030849 442167875 /nfs/dbraw/zinc/16/78/75/442167875.db2.gz RVJIIQGCKLJNGM-KRWDZBQOSA-N 2 0 344.459 1.417 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000152167548 442175696 /nfs/dbraw/zinc/17/56/96/442175696.db2.gz PMUJRDOYCQJELT-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP C[C@H](CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH2+]CC1 ZINC000164294617 442194466 /nfs/dbraw/zinc/19/44/66/442194466.db2.gz FSVZIUTVTGHCCZ-BZUAXINKSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCC[C@H](C)[C@H]2C)C1 ZINC000176023883 442162942 /nfs/dbraw/zinc/16/29/42/442162942.db2.gz AOJRENWNFDJHPO-BSDSXHPESA-N 2 0 339.524 1.874 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000176295708 442206528 /nfs/dbraw/zinc/20/65/28/442206528.db2.gz IZBJHPPPRUMHME-QZTJIDSGSA-N 2 0 333.476 1.642 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176311317 442208536 /nfs/dbraw/zinc/20/85/36/442208536.db2.gz PAUWBZAAIRZEGV-MRXNPFEDSA-N 2 0 342.528 1.905 20 0 EDADRP Cn1ccnc1[C@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000127580105 442212721 /nfs/dbraw/zinc/21/27/21/442212721.db2.gz MILFPMGFTXGTIX-GOSISDBHSA-N 2 0 340.475 1.808 20 0 EDADRP CN(C(=O)C[C@H]1CCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166554415 442216864 /nfs/dbraw/zinc/21/68/64/442216864.db2.gz LZZOPOPSMYSTRY-QGZVFWFLSA-N 2 0 330.476 1.689 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000128011097 442239798 /nfs/dbraw/zinc/23/97/98/442239798.db2.gz KKKCIHZZCDUDEW-CJNGLKHVSA-N 2 0 325.478 1.196 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153106338 442262234 /nfs/dbraw/zinc/26/22/34/442262234.db2.gz AOSFBKGKQCHNDU-BBRMVZONSA-N 2 0 326.462 1.399 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000153125825 442262445 /nfs/dbraw/zinc/26/24/45/442262445.db2.gz BFWBGRNBCRUKHN-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)[C@H](C)C1 ZINC000128687719 442282101 /nfs/dbraw/zinc/28/21/01/442282101.db2.gz JPEBXSWDIRIZDJ-WBVHZDCISA-N 2 0 340.512 1.469 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000129030951 442299068 /nfs/dbraw/zinc/29/90/68/442299068.db2.gz KIEMRSHKKMBMOB-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@H](C)O1 ZINC000171034482 442301855 /nfs/dbraw/zinc/30/18/55/442301855.db2.gz AXOFLUZAQVIKLR-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000171199956 442326891 /nfs/dbraw/zinc/32/68/91/442326891.db2.gz VXTFKFPFKPZHKS-INIZCTEOSA-N 2 0 340.443 1.306 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131700524 442377801 /nfs/dbraw/zinc/37/78/01/442377801.db2.gz QLNMRMPMMLZEBU-WMZOPIPTSA-N 2 0 342.528 1.764 20 0 EDADRP COC[C@@](C)(CCO)[NH2+]C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000132518594 442395082 /nfs/dbraw/zinc/39/50/82/442395082.db2.gz DDHPJTDIQWKXOW-MAUKXSAKSA-N 2 0 335.448 1.391 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000130778100 442356371 /nfs/dbraw/zinc/35/63/71/442356371.db2.gz JKYQUBUXRMOLFE-OAHLLOKOSA-N 2 0 325.522 1.854 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000155743936 442423403 /nfs/dbraw/zinc/42/34/03/442423403.db2.gz FBRSIYFHNPVUEB-SJORKVTESA-N 2 0 342.491 1.944 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000172247918 442429467 /nfs/dbraw/zinc/42/94/67/442429467.db2.gz FUPBKWJSSGKVKS-GOSISDBHSA-N 2 0 336.524 1.536 20 0 EDADRP CC[C@]1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000134599657 442499539 /nfs/dbraw/zinc/49/95/39/442499539.db2.gz DRQIATUZTONDOF-LJQANCHMSA-N 2 0 346.475 1.126 20 0 EDADRP CCN1CCN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000156302664 442465436 /nfs/dbraw/zinc/46/54/36/442465436.db2.gz QWNRIEHCYNTMIY-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000172460911 442466959 /nfs/dbraw/zinc/46/69/59/442466959.db2.gz HWIYGQSWNLUSJI-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000178768420 442479965 /nfs/dbraw/zinc/47/99/65/442479965.db2.gz KIXIHHFGEKXDSH-QGZVFWFLSA-N 2 0 330.476 1.375 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc(C[NH3+])cc3)cn2)CC1 ZINC000186440935 442535689 /nfs/dbraw/zinc/53/56/89/442535689.db2.gz FBQPZFANILQVEZ-UHFFFAOYSA-N 2 0 325.416 1.544 20 0 EDADRP Cc1cccc(C)c1NC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178977926 442542575 /nfs/dbraw/zinc/54/25/75/442542575.db2.gz ZHIWVRAPYKONKX-UHFFFAOYSA-N 2 0 344.503 1.859 20 0 EDADRP CCO[C@@H](C)c1noc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178982201 442544400 /nfs/dbraw/zinc/54/44/00/442544400.db2.gz KZSUQQUQIVDCCI-AWEZNQCLSA-N 2 0 337.468 1.284 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000186606526 442570978 /nfs/dbraw/zinc/57/09/78/442570978.db2.gz UKQPMNMUUJTAPY-JKSUJKDBSA-N 2 0 343.479 1.339 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000186576995 442565482 /nfs/dbraw/zinc/56/54/82/442565482.db2.gz RXKOFHATTQRPQM-BRWVUGGUSA-N 2 0 340.512 1.203 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000192341839 442636877 /nfs/dbraw/zinc/63/68/77/442636877.db2.gz NBTGCYPOOXWNRK-LBPRGKRZSA-N 2 0 326.470 1.418 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)CC1 ZINC000157807248 442616287 /nfs/dbraw/zinc/61/62/87/442616287.db2.gz KZBLVVMDGAEQMN-MRXNPFEDSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187839965 442694233 /nfs/dbraw/zinc/69/42/33/442694233.db2.gz ZTGATISOFODOEE-PBHICJAKSA-N 2 0 343.537 1.511 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182596787 442792669 /nfs/dbraw/zinc/79/26/69/442792669.db2.gz WAFUGNLRFVHLBK-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000188562680 442763951 /nfs/dbraw/zinc/76/39/51/442763951.db2.gz BSDBJTIKMBTFTK-QGZVFWFLSA-N 2 0 341.544 1.242 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000268072482 442836955 /nfs/dbraw/zinc/83/69/55/442836955.db2.gz DEBZEVOJRUOFGM-UHFFFAOYSA-N 2 0 338.521 1.566 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000247305012 442846397 /nfs/dbraw/zinc/84/63/97/442846397.db2.gz PUCWJEMNHZLCQS-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000247518298 442860210 /nfs/dbraw/zinc/86/02/10/442860210.db2.gz NULBYURXIWSJOP-RCCFBDPRSA-N 2 0 337.508 1.745 20 0 EDADRP COc1cc(CNC(=O)/C=C/C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000265663900 442869402 /nfs/dbraw/zinc/86/94/02/442869402.db2.gz RLPMBQWJSNQGJU-VOTSOKGWSA-N 2 0 335.448 1.370 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000248155854 442885129 /nfs/dbraw/zinc/88/51/29/442885129.db2.gz RIUHCWWVZDHBBO-MPTYRVRUSA-N 2 0 339.480 1.106 20 0 EDADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182953367 442853180 /nfs/dbraw/zinc/85/31/80/442853180.db2.gz AZYSVQZCDRHCAR-SFHVURJKSA-N 2 0 339.524 1.532 20 0 EDADRP CCC[NH+]1CCC(NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000183290119 442918335 /nfs/dbraw/zinc/91/83/35/442918335.db2.gz CSKRJDUOKZXBSW-UHFFFAOYSA-N 2 0 346.519 1.942 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249173016 442958387 /nfs/dbraw/zinc/95/83/87/442958387.db2.gz XTJOQYPWJCGHHN-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP CC1(C)CC(NC(=O)NCC[N@@H+]2CCCOCC2)CC(C)(C)[NH2+]1 ZINC000189547261 442976384 /nfs/dbraw/zinc/97/63/84/442976384.db2.gz NWRQHEPGHVKTSQ-UHFFFAOYSA-N 2 0 326.485 1.317 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088017 450398274 /nfs/dbraw/zinc/39/82/74/450398274.db2.gz SNXYHSBZYSLGAA-AZUAARDMSA-N 2 0 332.536 1.980 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185138454 443146270 /nfs/dbraw/zinc/14/62/70/443146270.db2.gz SRYZBYVITYVNQL-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1)N1CC[NH+](C)CC1 ZINC000268864712 443130591 /nfs/dbraw/zinc/13/05/91/443130591.db2.gz IRDWIXQYPNIEBJ-QZTJIDSGSA-N 2 0 346.519 1.810 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000185342869 443186797 /nfs/dbraw/zinc/18/67/97/443186797.db2.gz QNAYCDYGYPJDCP-UHFFFAOYSA-N 2 0 342.528 1.909 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000236959383 443153147 /nfs/dbraw/zinc/15/31/47/443153147.db2.gz PDBTWVKKYPUHPP-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000185573292 443221573 /nfs/dbraw/zinc/22/15/73/443221573.db2.gz XETFUODNONVKAP-KRWDZBQOSA-N 2 0 339.528 1.044 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000269232514 443243092 /nfs/dbraw/zinc/24/30/92/443243092.db2.gz ARJAFQKSMNEPRU-PKOBYXMFSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@@H](C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000262548324 443200028 /nfs/dbraw/zinc/20/00/28/443200028.db2.gz WKPLXVAOZVMLDH-RDBSUJKOSA-N 2 0 336.455 1.738 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000262843123 443214577 /nfs/dbraw/zinc/21/45/77/443214577.db2.gz JCYKNYSWOUYWHQ-HKUYNNGSSA-N 2 0 333.476 1.820 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)N1CCC[C@@H](C(F)(F)F)C1 ZINC000358503863 319112778 /nfs/dbraw/zinc/11/27/78/319112778.db2.gz FXUMEHCLNHVNHU-CYBMUJFWSA-N 2 0 333.398 1.863 20 0 EDADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358503870 319112902 /nfs/dbraw/zinc/11/29/02/319112902.db2.gz HECKZTKYOGNCJZ-UHFFFAOYSA-N 2 0 331.460 1.525 20 0 EDADRP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397551436 319135325 /nfs/dbraw/zinc/13/53/25/319135325.db2.gz UYUHZZAIHPLPEX-AWEZNQCLSA-N 2 0 329.485 1.726 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064050 319314782 /nfs/dbraw/zinc/31/47/82/319314782.db2.gz FHQORNRUNKEDBX-CHWSQXEVSA-N 2 0 342.281 1.931 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000414664460 319338120 /nfs/dbraw/zinc/33/81/20/319338120.db2.gz CQWOKQZCPWYZQE-UHFFFAOYSA-N 2 0 348.491 1.970 20 0 EDADRP Cc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414681457 319341360 /nfs/dbraw/zinc/34/13/60/319341360.db2.gz PHRGTAPAWREWBL-KRWDZBQOSA-N 2 0 330.476 1.314 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000414684290 319342322 /nfs/dbraw/zinc/34/23/22/319342322.db2.gz VFOYLWQMLQYHNH-ROUUACIJSA-N 2 0 336.524 1.395 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(COc3ccccc3)CC2)C1 ZINC000414692372 319343478 /nfs/dbraw/zinc/34/34/78/319343478.db2.gz PVQONMUNQREIDG-SFHVURJKSA-N 2 0 345.487 1.975 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000415904165 319383129 /nfs/dbraw/zinc/38/31/29/319383129.db2.gz GHIMEGJOGDCKDC-KRWDZBQOSA-N 2 0 346.475 1.982 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938197 319383698 /nfs/dbraw/zinc/38/36/98/319383698.db2.gz OGRVUWUFVGIPHI-HNNXBMFYSA-N 2 0 336.436 1.256 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000185871616 443272830 /nfs/dbraw/zinc/27/28/30/443272830.db2.gz FQYPZOIEEPZRLM-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2Cc3ccccc3C[C@H]2C(N)=O)CC1 ZINC000191415651 443291904 /nfs/dbraw/zinc/29/19/04/443291904.db2.gz PAAAQRCPWZQSLQ-IBGZPJMESA-N 2 0 344.503 1.315 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185809201 443261985 /nfs/dbraw/zinc/26/19/85/443261985.db2.gz QGJHUSFFLKYKJQ-HZPDHXFCSA-N 2 0 327.517 1.042 20 0 EDADRP CC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000269283499 443266030 /nfs/dbraw/zinc/26/60/30/443266030.db2.gz GWSXCOUDPLOEKY-SFHVURJKSA-N 2 0 332.492 1.438 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C[NH3+])C1 ZINC000416837102 319465532 /nfs/dbraw/zinc/46/55/32/319465532.db2.gz WMLYNWUONJARBH-LSDHHAIUSA-N 2 0 326.485 1.399 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000416852265 319466476 /nfs/dbraw/zinc/46/64/76/319466476.db2.gz SEXIPSRLSUXAAE-ZWKOTPCHSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272444799 443319775 /nfs/dbraw/zinc/31/97/75/443319775.db2.gz JACPNLNWEPFBNA-YSIASYRMSA-N 2 0 331.504 1.943 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416949648 319483301 /nfs/dbraw/zinc/48/33/01/319483301.db2.gz QOUBHPCWEBTBGS-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH2+]CCCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417333217 319492874 /nfs/dbraw/zinc/49/28/74/319492874.db2.gz PPAGHSUEJAQAHB-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)[C@H]2C1 ZINC000272485744 443335123 /nfs/dbraw/zinc/33/51/23/443335123.db2.gz SHMHDHHNGQLCEQ-QRVBRYPASA-N 2 0 342.487 1.997 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000418675758 319510519 /nfs/dbraw/zinc/51/05/19/319510519.db2.gz PYTOOWGHMOJOJM-KRWDZBQOSA-N 2 0 327.432 1.695 20 0 EDADRP CCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418912271 319531207 /nfs/dbraw/zinc/53/12/07/319531207.db2.gz MLZOBWLTFHDTDA-INIZCTEOSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000272602790 443379454 /nfs/dbraw/zinc/37/94/54/443379454.db2.gz FLURWWRCBXGPSO-LJQANCHMSA-N 2 0 346.475 1.527 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000419169947 319565720 /nfs/dbraw/zinc/56/57/20/319565720.db2.gz NBBREFMVAPZTCY-RDJZCZTQSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000419551008 319602631 /nfs/dbraw/zinc/60/26/31/319602631.db2.gz VNUCRAIWGQGEIW-KGLIPLIRSA-N 2 0 348.491 1.415 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000420369965 319611950 /nfs/dbraw/zinc/61/19/50/319611950.db2.gz VNAMYTPQTVJPBG-HNNXBMFYSA-N 2 0 326.462 1.447 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650327 443396244 /nfs/dbraw/zinc/39/62/44/443396244.db2.gz FFZZGFPHRQZSBH-XJKSGUPXSA-N 2 0 332.448 1.235 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423104567 319750695 /nfs/dbraw/zinc/75/06/95/319750695.db2.gz HHDKELFANQTUTM-QYNFOATHSA-N 2 0 325.482 1.923 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CN)C2CCCCC2)CC[NH2+]CC1 ZINC000423262438 319760088 /nfs/dbraw/zinc/76/00/88/319760088.db2.gz MPIIBGNQSASHPX-HOCLYGCPSA-N 2 0 325.497 1.805 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423391432 319769759 /nfs/dbraw/zinc/76/97/59/319769759.db2.gz PLJQAMKPWPYXPA-CHWSQXEVSA-N 2 0 338.418 1.059 20 0 EDADRP COc1ccc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1O ZINC000423396622 319770967 /nfs/dbraw/zinc/77/09/67/319770967.db2.gz RVMDRVODURPORB-XHDPSFHLSA-N 2 0 347.381 1.888 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000272936572 443495111 /nfs/dbraw/zinc/49/51/11/443495111.db2.gz JNBQICOZSKAZMQ-UHFFFAOYSA-N 2 0 331.464 1.525 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000265395113 443627213 /nfs/dbraw/zinc/62/72/13/443627213.db2.gz VELQKBSCVBQARM-OAHLLOKOSA-N 2 0 335.448 1.030 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000265414908 443634174 /nfs/dbraw/zinc/63/41/74/443634174.db2.gz ICBFEEPJDADKJZ-MSOLQXFVSA-N 2 0 346.475 1.233 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000265365339 443617417 /nfs/dbraw/zinc/61/74/17/443617417.db2.gz NANWTVQZAAQEEE-GOSISDBHSA-N 2 0 333.476 1.931 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000454075943 320282844 /nfs/dbraw/zinc/28/28/44/320282844.db2.gz ZCJDNVYMTJVRAS-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000457491843 320328017 /nfs/dbraw/zinc/32/80/17/320328017.db2.gz VZVJKKVIQSZAGN-RCCFBDPRSA-N 2 0 330.476 1.505 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000458711233 320339276 /nfs/dbraw/zinc/33/92/76/320339276.db2.gz XCTXZKUBLWWLDC-LJQANCHMSA-N 2 0 334.508 1.988 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)[C@H](C)C1 ZINC000458853017 320343211 /nfs/dbraw/zinc/34/32/11/320343211.db2.gz VZBIFKFJEZYNON-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000459738436 320349396 /nfs/dbraw/zinc/34/93/96/320349396.db2.gz AHKXMHGXKVMCMU-OKZBNKHCSA-N 2 0 345.487 1.953 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000479295236 320355067 /nfs/dbraw/zinc/35/50/67/320355067.db2.gz KPIMINGKLWANIO-QWFCFKBJSA-N 2 0 343.471 1.224 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000286287980 443683925 /nfs/dbraw/zinc/68/39/25/443683925.db2.gz WVDGBNQHKDWKLZ-GJYPPUQNSA-N 2 0 344.503 1.550 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000516175269 320433306 /nfs/dbraw/zinc/43/33/06/320433306.db2.gz ILNVDBNZYLAMRO-INIZCTEOSA-N 2 0 335.517 1.509 20 0 EDADRP COC[C@H](O)C[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000516862271 320441849 /nfs/dbraw/zinc/44/18/49/320441849.db2.gz RYLVNXJASSNLHX-LJQANCHMSA-N 2 0 335.492 1.494 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C(=O)NC2CC2)c1 ZINC000525896011 320494213 /nfs/dbraw/zinc/49/42/13/320494213.db2.gz IZQRSSVRUBQPAS-UHFFFAOYSA-N 2 0 346.475 1.144 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288175642 443794087 /nfs/dbraw/zinc/79/40/87/443794087.db2.gz MUGBCLYNRUDOFZ-WMLDXEAASA-N 2 0 337.439 1.513 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)CCCO1 ZINC000298475022 443776991 /nfs/dbraw/zinc/77/69/91/443776991.db2.gz UXENEOAXWYKBIX-OAHLLOKOSA-N 2 0 345.447 1.634 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529357953 320577032 /nfs/dbraw/zinc/57/70/32/320577032.db2.gz NZBNNLJRHPVEGG-HOTGVXAUSA-N 2 0 338.496 1.413 20 0 EDADRP CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000277063549 443899181 /nfs/dbraw/zinc/89/91/81/443899181.db2.gz WGRMGYKJVQOHIH-OKZBNKHCSA-N 2 0 333.476 1.953 20 0 EDADRP CC[NH+](CC)CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000299273683 444003115 /nfs/dbraw/zinc/00/31/15/444003115.db2.gz WBFLQGCFNJOLBY-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1-n1ccnn1 ZINC000285539397 444021367 /nfs/dbraw/zinc/02/13/67/444021367.db2.gz CAPYTPNBOLMUDW-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C)(C)CC1 ZINC000554528377 320952720 /nfs/dbraw/zinc/95/27/20/320952720.db2.gz PQTWNMNYCOQMPL-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP CSC1(C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC[NH+](C)CC1 ZINC000556876853 320996564 /nfs/dbraw/zinc/99/65/64/320996564.db2.gz FKZVBVPGFRRFLW-UHFFFAOYSA-N 2 0 335.473 1.935 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000557354329 321003026 /nfs/dbraw/zinc/00/30/26/321003026.db2.gz GLILAWXBIVTKSF-CYBMUJFWSA-N 2 0 329.404 1.263 20 0 EDADRP CC[NH+]1CCC(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000562420277 321056913 /nfs/dbraw/zinc/05/69/13/321056913.db2.gz DGJAHEDJRAJKNO-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)Cn3ccnc3)CC2)C[C@H](C)O1 ZINC000562579470 321064571 /nfs/dbraw/zinc/06/45/71/321064571.db2.gz BRWXMAREKFKFMC-IYBDPMFKSA-N 2 0 334.464 1.621 20 0 EDADRP C[C@@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c2nccn21 ZINC000562731380 321073753 /nfs/dbraw/zinc/07/37/53/321073753.db2.gz LYUVNEUXDPWCSU-IUODEOHRSA-N 2 0 334.445 1.929 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000562802908 321076927 /nfs/dbraw/zinc/07/69/27/321076927.db2.gz HPPHGSURPIVGAA-KZNAEPCWSA-N 2 0 330.476 1.806 20 0 EDADRP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959348 321083796 /nfs/dbraw/zinc/08/37/96/321083796.db2.gz BESFYHNNDQNSJN-ZSZQSSIHSA-N 2 0 344.459 1.636 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ccccc2C(C)(C)C)CC1 ZINC000562993948 321086842 /nfs/dbraw/zinc/08/68/42/321086842.db2.gz SCLMBWRKDPDZQT-QGZVFWFLSA-N 2 0 349.519 1.561 20 0 EDADRP C[C@@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000563093150 321094698 /nfs/dbraw/zinc/09/46/98/321094698.db2.gz WPDYPQVTYQXOIZ-YJBOKZPZSA-N 2 0 330.476 1.986 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000563545556 321111319 /nfs/dbraw/zinc/11/13/19/321111319.db2.gz CELGQPTWJAPUCK-QZTJIDSGSA-N 2 0 346.475 1.501 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000564440488 321131657 /nfs/dbraw/zinc/13/16/57/321131657.db2.gz LSZDCMXRMPGRHZ-JKSUJKDBSA-N 2 0 340.537 1.380 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000565039055 321165490 /nfs/dbraw/zinc/16/54/90/321165490.db2.gz WAQDGECLNDTMLX-QGZVFWFLSA-N 2 0 334.464 1.510 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046755 321166791 /nfs/dbraw/zinc/16/67/91/321166791.db2.gz SFIMFNUIOLIFPP-JKSUJKDBSA-N 3 0 334.508 1.051 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000565477399 321188142 /nfs/dbraw/zinc/18/81/42/321188142.db2.gz FDGGTDHQTBIVFI-MSOLQXFVSA-N 2 0 330.476 1.315 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000565881285 321204637 /nfs/dbraw/zinc/20/46/37/321204637.db2.gz HDZIHWVSHQCWBB-SJLPKXTDSA-N 2 0 347.507 1.272 20 0 EDADRP CC(C)[C@H](CNC[C@H](O)C[NH+]1CCN(C)CC1)[NH+]1CCCCCC1 ZINC000566107885 321215631 /nfs/dbraw/zinc/21/56/31/321215631.db2.gz PXLJKKZCHWJRBT-OALUTQOASA-N 2 0 340.556 1.085 20 0 EDADRP C[C@@H](C[NH2+]CCC(=O)Nc1cccc(F)c1)CN1CC[NH+](C)CC1 ZINC000566118762 321217759 /nfs/dbraw/zinc/21/77/59/321217759.db2.gz ZGZJIVRKVZMRRF-HNNXBMFYSA-N 2 0 336.455 1.627 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000566973675 321237706 /nfs/dbraw/zinc/23/77/06/321237706.db2.gz NNCAEOILRMOQGA-GJZGRUSLSA-N 2 0 346.475 1.505 20 0 EDADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000567585698 321247290 /nfs/dbraw/zinc/24/72/90/321247290.db2.gz PCCXNPTUDPNVAM-WMZOPIPTSA-N 2 0 337.508 1.997 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000567846431 321262545 /nfs/dbraw/zinc/26/25/45/321262545.db2.gz ARTIZNODZNPZBB-KRWDZBQOSA-N 2 0 342.447 1.276 20 0 EDADRP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)NCc1ccc2c(c1)OCO2 ZINC000567889834 321266042 /nfs/dbraw/zinc/26/60/42/321266042.db2.gz ZBZDAGKXZSHMHM-SFHVURJKSA-N 2 0 331.416 1.107 20 0 EDADRP FC(F)(F)[C@H](CNC1CC[NH+](CC2CC2)CC1)N1CC[NH2+]CC1 ZINC000568853335 321308937 /nfs/dbraw/zinc/30/89/37/321308937.db2.gz GKHDAOWVFHLBID-HNNXBMFYSA-N 2 0 334.430 1.287 20 0 EDADRP C[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028716 321334637 /nfs/dbraw/zinc/33/46/37/321334637.db2.gz KSJUXYVTUWDXGV-IEBWSBKVSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CCN1CCO ZINC000570565337 321348034 /nfs/dbraw/zinc/34/80/34/321348034.db2.gz DDFRHKZXWUKCOC-WBVHZDCISA-N 2 0 342.443 1.457 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000570573636 321349102 /nfs/dbraw/zinc/34/91/02/321349102.db2.gz XKLNDNJLSWEVHG-GDBMZVCRSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000570815183 321360035 /nfs/dbraw/zinc/36/00/35/321360035.db2.gz FJQCNFFMUZCVFR-HUHSQHJXSA-N 2 0 328.460 1.666 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000571675996 321396945 /nfs/dbraw/zinc/39/69/45/321396945.db2.gz NQXWQKCCSJMVHP-KDOFPFPSSA-N 2 0 331.460 1.258 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289444805 444145468 /nfs/dbraw/zinc/14/54/68/444145468.db2.gz ORZPMLJJMQSLGX-SFHVURJKSA-N 2 0 337.508 1.550 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000285977799 444167553 /nfs/dbraw/zinc/16/75/53/444167553.db2.gz MRVHTBQJKVSHAN-ZIAGYGMSSA-N 2 0 335.452 1.310 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000289619343 444181933 /nfs/dbraw/zinc/18/19/33/444181933.db2.gz BAQIPFSIAHSUQP-IAGOWNOFSA-N 2 0 347.459 1.438 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290218226 444255441 /nfs/dbraw/zinc/25/54/41/444255441.db2.gz STAKVZDVXZWJMU-ROUUACIJSA-N 3 0 345.491 1.098 20 0 EDADRP CN(CCC[N@H+](C)Cc1c[nH]nc1-c1cccnc1)CC[NH+](C)C ZINC000290276556 444261830 /nfs/dbraw/zinc/26/18/30/444261830.db2.gz YPSNMMMELXAJDF-UHFFFAOYSA-N 2 0 330.480 1.787 20 0 EDADRP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CN1CCOCC1 ZINC000305194824 444263922 /nfs/dbraw/zinc/26/39/22/444263922.db2.gz YYUMEBQXQNKVDA-IBGZPJMESA-N 2 0 339.524 1.456 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000296508779 444234304 /nfs/dbraw/zinc/23/43/04/444234304.db2.gz RLDFQEJUWDALTL-QGZVFWFLSA-N 2 0 344.503 1.451 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000290684723 444310371 /nfs/dbraw/zinc/31/03/71/444310371.db2.gz UJTPGXCSNABQNJ-OAHLLOKOSA-N 2 0 336.480 1.872 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000578321182 321756506 /nfs/dbraw/zinc/75/65/06/321756506.db2.gz YMGZVYORGZJBMG-DOTOQJQBSA-N 2 0 331.464 1.269 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000326442128 444374993 /nfs/dbraw/zinc/37/49/93/444374993.db2.gz WUEZMBNOWAAMKK-MSOLQXFVSA-N 2 0 338.540 1.672 20 0 EDADRP NC(=O)NC(=O)CCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297780324 444333508 /nfs/dbraw/zinc/33/35/08/444333508.db2.gz WDHJUHXZXBCSSL-UHFFFAOYSA-N 2 0 341.415 1.332 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000298065171 444403148 /nfs/dbraw/zinc/40/31/48/444403148.db2.gz JCWXKVZWAPZYHN-HNNXBMFYSA-N 2 0 343.431 1.654 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cn[nH]c1 ZINC000340514919 444420593 /nfs/dbraw/zinc/42/05/93/444420593.db2.gz QKAXSMMTCQBCBH-WMLDXEAASA-N 2 0 329.448 1.349 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000340471648 444391433 /nfs/dbraw/zinc/39/14/33/444391433.db2.gz FASRHXYQQYKNOO-IAGOWNOFSA-N 2 0 345.553 1.350 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)C[C@@H]1C ZINC000331164130 444425973 /nfs/dbraw/zinc/42/59/73/444425973.db2.gz XSSMARJXTMGGST-GJZGRUSLSA-N 2 0 336.484 1.781 20 0 EDADRP CCOCC[C@@H](O)C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000580065167 322004134 /nfs/dbraw/zinc/00/41/34/322004134.db2.gz MCHVCIDFFAJYIX-LJQANCHMSA-N 2 0 336.476 1.520 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000580297125 322032589 /nfs/dbraw/zinc/03/25/89/322032589.db2.gz MZCFESSVMJLJKB-QGZVFWFLSA-N 2 0 344.459 1.431 20 0 EDADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)CC2 ZINC000580436872 322051251 /nfs/dbraw/zinc/05/12/51/322051251.db2.gz YJSQQQPJPXGTLK-AZUAARDMSA-N 2 0 331.504 1.995 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCSc3ccc(F)cc32)[C@@H](C[NH3+])C1 ZINC000580703855 322084401 /nfs/dbraw/zinc/08/44/01/322084401.db2.gz OJRQZIDRWLPRJR-GXTWGEPZSA-N 2 0 338.452 1.647 20 0 EDADRP COc1cc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c2ccccc2n1 ZINC000580704050 322084437 /nfs/dbraw/zinc/08/44/37/322084437.db2.gz CIEFVIPUIFKJER-AWEZNQCLSA-N 2 0 343.431 1.028 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1Cl ZINC000580755304 322090142 /nfs/dbraw/zinc/09/01/42/322090142.db2.gz OZOXUWKHZJEPSH-OCCSQVGLSA-N 2 0 329.847 1.738 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000580882693 322107505 /nfs/dbraw/zinc/10/75/05/322107505.db2.gz UEBTYYUDYOGLJI-GOSISDBHSA-N 2 0 346.475 1.460 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235757 322151885 /nfs/dbraw/zinc/15/18/85/322151885.db2.gz IDLWEGHSQLUMKC-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581246268 322154345 /nfs/dbraw/zinc/15/43/45/322154345.db2.gz OCBWMYQWOBOMRE-QSMSVPEVSA-N 2 0 341.540 1.413 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000332272836 444507701 /nfs/dbraw/zinc/50/77/01/444507701.db2.gz GWZBRHFDIYFDCA-ZOBUZTSGSA-N 2 0 330.476 1.886 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338236175 444579840 /nfs/dbraw/zinc/57/98/40/444579840.db2.gz HVBIZGVNADXCEL-KRWDZBQOSA-N 2 0 345.553 1.712 20 0 EDADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000338180758 444551951 /nfs/dbraw/zinc/55/19/51/444551951.db2.gz BUTLASCASPPZMR-OAGGEKHMSA-N 2 0 333.476 1.910 20 0 EDADRP CCN1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1ncc[nH]1 ZINC000332953994 444608934 /nfs/dbraw/zinc/60/89/34/444608934.db2.gz GHFHCXCUHYBCPT-GDBMZVCRSA-N 2 0 346.479 1.282 20 0 EDADRP Cn1cc([C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)(C)C)cn1 ZINC000342352551 444648327 /nfs/dbraw/zinc/64/83/27/444648327.db2.gz YEWJHONHYFQCJN-GOSISDBHSA-N 2 0 347.507 1.840 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000333463150 444673708 /nfs/dbraw/zinc/67/37/08/444673708.db2.gz ZKZMUPKVQZUDNZ-PBHICJAKSA-N 2 0 330.476 1.464 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000341213739 444733089 /nfs/dbraw/zinc/73/30/89/444733089.db2.gz OSZASERXLZBURI-IRXDYDNUSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)NC1CC[NH2+]CC1 ZINC000333934041 444722555 /nfs/dbraw/zinc/72/25/55/444722555.db2.gz IEEYGVYNGUZVIN-UHFFFAOYSA-N 2 0 326.510 1.399 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@H](C)[C@H]([NH+](C)C)C3)n2)C[C@@H]1[NH+](C)C ZINC000342512646 444724862 /nfs/dbraw/zinc/72/48/62/444724862.db2.gz PFCUYWZZHOGDEM-SYMSYNOKSA-N 2 0 332.496 1.249 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000342425606 444686260 /nfs/dbraw/zinc/68/62/60/444686260.db2.gz PHSFEJUFKSNMBM-BEFAXECRSA-N 2 0 345.487 1.457 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC[C@@H]1CCCO1)c1ccccc1 ZINC000342561600 444745275 /nfs/dbraw/zinc/74/52/75/444745275.db2.gz BSBHCZKXLKFOQV-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@H+](CCOC)C1)c1ccccc1 ZINC000341273543 444756798 /nfs/dbraw/zinc/75/67/98/444756798.db2.gz BURVFJFDOHTXPW-ROUUACIJSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC(C)(C)C2)C1 ZINC000344061883 444759085 /nfs/dbraw/zinc/75/90/85/444759085.db2.gz MYKJQMYUKBJGKU-IAGOWNOFSA-N 2 0 339.524 1.827 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000342587572 444759272 /nfs/dbraw/zinc/75/92/72/444759272.db2.gz QNBMYBVLYOKEQT-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000344133848 444799317 /nfs/dbraw/zinc/79/93/17/444799317.db2.gz MEORFPPWKYZYPB-QGZVFWFLSA-N 2 0 342.487 1.795 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000342656197 444799795 /nfs/dbraw/zinc/79/97/95/444799795.db2.gz RNCHQBGCOLCNQN-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@H]1C ZINC000336857637 444805686 /nfs/dbraw/zinc/80/56/86/444805686.db2.gz UCJWJVXANLRGOC-OAGGEKHMSA-N 2 0 331.526 1.463 20 0 EDADRP Cc1cnc(N2CC[C@@H](C[NH+](C)C)C2)nc1N1CC[C@@H](C[NH+](C)C)C1 ZINC000338688178 444808373 /nfs/dbraw/zinc/80/83/73/444808373.db2.gz CDOICHWUZGMWST-IRXDYDNUSA-N 2 0 346.523 1.561 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N[C@@H](C)CC ZINC000344157714 444813030 /nfs/dbraw/zinc/81/30/30/444813030.db2.gz WJLRBAIHIGIAMW-IRXDYDNUSA-N 2 0 326.529 1.639 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)N1CCCCC1 ZINC000344115998 444789152 /nfs/dbraw/zinc/78/91/52/444789152.db2.gz AKLVEQIZYCGVJS-SFHVURJKSA-N 2 0 338.540 1.737 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344253230 444863794 /nfs/dbraw/zinc/86/37/94/444863794.db2.gz NCPNWSCPFRZLCO-NVXWUHKLSA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000338834710 444879233 /nfs/dbraw/zinc/87/92/33/444879233.db2.gz DBDVNSAWMRJXJE-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP CS[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@@H]1[NH+]1CCCC1 ZINC000338817341 444867803 /nfs/dbraw/zinc/86/78/03/444867803.db2.gz YJDZPPCNRZNMGY-DLBZAZTESA-N 2 0 337.533 1.899 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000341546475 444886623 /nfs/dbraw/zinc/88/66/23/444886623.db2.gz IDMKEZYGURRERI-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000342950670 444961404 /nfs/dbraw/zinc/96/14/04/444961404.db2.gz MDNALBKRSOEDIN-MSOLQXFVSA-N 2 0 337.508 1.747 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCC[C@H]1CO)[N@H+](C)Cc1ccccc1 ZINC000342954987 444964720 /nfs/dbraw/zinc/96/47/20/444964720.db2.gz DDWVUXFJVNHTFY-HKUYNNGSSA-N 2 0 347.503 1.860 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1F ZINC000342957154 444966980 /nfs/dbraw/zinc/96/69/80/444966980.db2.gz UQOASYZYPZPEOD-MRXNPFEDSA-N 2 0 334.439 1.877 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)N2CCCC2)[N@H+](CCCCn2ccnc2C)C1 ZINC000344471403 444996359 /nfs/dbraw/zinc/99/63/59/444996359.db2.gz IVOMDHQFVFGAMT-IRXDYDNUSA-N 2 0 334.464 1.683 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H](O)[C@H]1CCOC1)C1CC[NH+](C)CC1 ZINC000344478503 444999718 /nfs/dbraw/zinc/99/97/18/444999718.db2.gz IJYGVAMITCVXID-PXNSSMCTSA-N 2 0 347.503 1.704 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)[C@H]2CCOC2)CC1 ZINC000344481730 445001789 /nfs/dbraw/zinc/00/17/89/445001789.db2.gz PXTFPTACADIIDN-AZUAARDMSA-N 2 0 347.503 1.706 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000337362526 445048147 /nfs/dbraw/zinc/04/81/47/445048147.db2.gz HTSNQDWYEAUAON-UHFFFAOYSA-N 2 0 346.431 1.631 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339168871 445071048 /nfs/dbraw/zinc/07/10/48/445071048.db2.gz FQGQROMAUOYORU-UHFFFAOYSA-N 2 0 328.460 1.993 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343126617 445082329 /nfs/dbraw/zinc/08/23/29/445082329.db2.gz CXXFIYJBOXRXIY-KURKYZTESA-N 2 0 336.524 1.251 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147834 445096135 /nfs/dbraw/zinc/09/61/35/445096135.db2.gz DEEFEVKZWAVXKX-NZSAHSFTSA-N 2 0 342.487 1.328 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1conc1Cc1ccccc1 ZINC000339243635 445110142 /nfs/dbraw/zinc/11/01/42/445110142.db2.gz LDRKLRSIFMHWAL-INIZCTEOSA-N 2 0 328.460 1.991 20 0 EDADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114248 445178350 /nfs/dbraw/zinc/17/83/50/445178350.db2.gz BZJPGXGTVXCLGF-YTQUADARSA-N 2 0 345.487 1.973 20 0 EDADRP C[C@@H]1CN(CC2(C[NH+]3C[C@H](C)N(C)[C@@H](C)C3)COC2)C[C@H](C)[N@@H+]1C ZINC000339621743 445153795 /nfs/dbraw/zinc/15/37/95/445153795.db2.gz JHUWUVROCHRFFQ-XLAORIBOSA-N 2 0 338.540 1.052 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]21 ZINC000342079111 445160321 /nfs/dbraw/zinc/16/03/21/445160321.db2.gz DUORMEWDDIXSDV-GVDBMIGSSA-N 2 0 344.459 1.462 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343358569 445209206 /nfs/dbraw/zinc/20/92/06/445209206.db2.gz DHCHANUSTHSOBM-RTBURBONSA-N 2 0 348.535 1.347 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CCCC2=O)[C@@H](C)C1 ZINC000346561218 445218290 /nfs/dbraw/zinc/21/82/90/445218290.db2.gz KLMJREFGLBRLRC-IRXDYDNUSA-N 2 0 325.497 1.726 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOCC1 ZINC000345739387 445197801 /nfs/dbraw/zinc/19/78/01/445197801.db2.gz JBYKUYZGORDXFN-QGZVFWFLSA-N 2 0 346.475 1.527 20 0 EDADRP CC(C[NH+]1CCCC[C@H]1CC(N)=O)C[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000346645275 445220889 /nfs/dbraw/zinc/22/08/89/445220889.db2.gz PERFRLIKWIXMRE-HOTGVXAUSA-N 2 0 338.496 1.082 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000343513973 445236833 /nfs/dbraw/zinc/23/68/33/445236833.db2.gz IIUYHPFMKUAHLF-NVXWUHKLSA-N 2 0 335.496 1.113 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C1 ZINC000347563788 445242529 /nfs/dbraw/zinc/24/25/29/445242529.db2.gz NTPOPGRISFMLDS-IXDOHACOSA-N 2 0 340.512 1.325 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347721324 445246078 /nfs/dbraw/zinc/24/60/78/445246078.db2.gz SRGUWYUFVXCGCK-SOLBZPMBSA-N 2 0 325.497 1.581 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@H]1CCC[NH+]1C ZINC000347901157 445254909 /nfs/dbraw/zinc/25/49/09/445254909.db2.gz NBJSEBYEAWQZLU-UAGQMJEPSA-N 2 0 333.480 1.356 20 0 EDADRP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347924828 445256275 /nfs/dbraw/zinc/25/62/75/445256275.db2.gz KAAGGGRQDLOTKT-DJIMGWMZSA-N 2 0 335.496 1.650 20 0 EDADRP C[C@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347949164 445257029 /nfs/dbraw/zinc/25/70/29/445257029.db2.gz GZFITQYEQQWDFT-GJZGRUSLSA-N 2 0 331.526 1.511 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000348211331 445317347 /nfs/dbraw/zinc/31/73/47/445317347.db2.gz RZOUECYXLQVLEF-IAGOWNOFSA-N 2 0 338.496 1.080 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000348376555 445270354 /nfs/dbraw/zinc/27/03/54/445270354.db2.gz DLDQTIIEPGVVSM-OAHLLOKOSA-N 2 0 333.480 1.900 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348377383 445270920 /nfs/dbraw/zinc/27/09/20/445270920.db2.gz MRHGPUQVYNZBGW-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000348131114 445285288 /nfs/dbraw/zinc/28/52/88/445285288.db2.gz ZVIJPBQNVBTCDA-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H](CS(C)(=O)=O)[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000362486122 445407746 /nfs/dbraw/zinc/40/77/46/445407746.db2.gz JXHMBPHYCLARPF-MRXNPFEDSA-N 2 0 338.517 1.964 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000359718688 445391297 /nfs/dbraw/zinc/39/12/97/445391297.db2.gz GNUSOSQXGAMZBZ-UHFFFAOYSA-N 2 0 347.463 1.083 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccncc2OCC[NH+](C)C)C[C@H]1[NH+](C)C ZINC000359735036 445399081 /nfs/dbraw/zinc/39/90/81/445399081.db2.gz ZXTGVJMRRKIRAP-GOEBONIOSA-N 2 0 349.479 1.114 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1[NH+](C)C ZINC000362656585 445481478 /nfs/dbraw/zinc/48/14/78/445481478.db2.gz SAGVIQKYGWPUJO-KBAYOESNSA-N 2 0 332.492 1.751 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000355067783 445442104 /nfs/dbraw/zinc/44/21/04/445442104.db2.gz YNIIAIRKDXOGGX-LNLFQRSKSA-N 2 0 346.519 1.820 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000362568777 445444505 /nfs/dbraw/zinc/44/45/05/445444505.db2.gz LPEDLRNMGDQFHU-LSDHHAIUSA-N 2 0 331.464 1.577 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCO[C@@H]2CC[N@H+](CC)C[C@@H]21 ZINC000355354289 445456866 /nfs/dbraw/zinc/45/68/66/445456866.db2.gz RSTJNPQEFGAAAC-JKSUJKDBSA-N 2 0 343.537 1.383 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000355406567 445458349 /nfs/dbraw/zinc/45/83/49/445458349.db2.gz DQUJVXXFFKZSFQ-FGTMMUONSA-N 2 0 336.524 1.488 20 0 EDADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000352550127 445537311 /nfs/dbraw/zinc/53/73/11/445537311.db2.gz KJBBBXUMHCYEDP-OWCLPIDISA-N 2 0 332.510 1.169 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[N@H+](CCC[NH3+])CC2CCCC2)C1 ZINC000352495576 445534377 /nfs/dbraw/zinc/53/43/77/445534377.db2.gz MUVCHOXPUOABFW-INIZCTEOSA-N 2 0 331.526 1.499 20 0 EDADRP CCc1oc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000349337263 445566442 /nfs/dbraw/zinc/56/64/42/445566442.db2.gz ZLTLZAQBQLOONM-UHFFFAOYSA-N 2 0 337.464 1.698 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000352623075 445543136 /nfs/dbraw/zinc/54/31/36/445543136.db2.gz JXZBTODTKBSFTI-HZPDHXFCSA-N 2 0 340.512 1.394 20 0 EDADRP C[NH+]1CCC(CC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000362868937 445588710 /nfs/dbraw/zinc/58/87/10/445588710.db2.gz RWANGIQNDLOMNU-FQEVSTJZSA-N 2 0 345.487 1.472 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000356106248 445624672 /nfs/dbraw/zinc/62/46/72/445624672.db2.gz CFLCRXLPGWFTNF-UHFFFAOYSA-N 2 0 348.491 1.864 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCC1(c2ccccc2)CC1 ZINC000358515544 445627578 /nfs/dbraw/zinc/62/75/78/445627578.db2.gz YULLLGQLHIIACO-UHFFFAOYSA-N 2 0 327.472 1.910 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(C)c1OC ZINC000353531015 445644692 /nfs/dbraw/zinc/64/46/92/445644692.db2.gz NUUZLHYTZNEBBM-AWEZNQCLSA-N 2 0 336.476 1.990 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OCCO)C2)CC1 ZINC000353527983 445643719 /nfs/dbraw/zinc/64/37/19/445643719.db2.gz FFOPEGURLCZRMW-IBGZPJMESA-N 2 0 347.503 1.802 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000356219478 445682240 /nfs/dbraw/zinc/68/22/40/445682240.db2.gz FFIUYVGQZUFRHY-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000360330383 445697323 /nfs/dbraw/zinc/69/73/23/445697323.db2.gz UFQFUNURWZZZDP-HOJAQTOUSA-N 2 0 347.503 1.180 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000350119080 445773053 /nfs/dbraw/zinc/77/30/53/445773053.db2.gz PJWQBJOQIQIQGL-JKSUJKDBSA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000358710604 445734702 /nfs/dbraw/zinc/73/47/02/445734702.db2.gz SSQNDWBIVWIHJY-YOEHRIQHSA-N 2 0 338.452 1.028 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000358721510 445741947 /nfs/dbraw/zinc/74/19/47/445741947.db2.gz NIDCXJCGWASPEC-SUMDDJOVSA-N 2 0 346.475 1.015 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000358821460 445793207 /nfs/dbraw/zinc/79/32/07/445793207.db2.gz MZUKACJSEFPWQP-UHFFFAOYSA-N 2 0 338.521 1.937 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000363439823 445804697 /nfs/dbraw/zinc/80/46/97/445804697.db2.gz NDXGGJSVNBDXNU-OAHLLOKOSA-N 2 0 342.553 1.987 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353911845 445810408 /nfs/dbraw/zinc/81/04/08/445810408.db2.gz GSSGXWWJRIOAAC-LTIDMASMSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1ccc([C@H](O)C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456284 445812466 /nfs/dbraw/zinc/81/24/66/445812466.db2.gz LJZIFOMMIQZSRU-AZUAARDMSA-N 2 0 331.504 1.988 20 0 EDADRP COCC1(C(=O)NC2CC[NH+](CC3CCCC3)CC2)CC[NH2+]CC1 ZINC000358859044 445814773 /nfs/dbraw/zinc/81/47/73/445814773.db2.gz RXTDJJFCWNWFHC-UHFFFAOYSA-N 2 0 337.508 1.773 20 0 EDADRP O=C1N[C@H](Cc2c[nH]cn2)C(=O)N1CCCCC[NH+]1CCCCC1 ZINC000358999408 445881029 /nfs/dbraw/zinc/88/10/29/445881029.db2.gz VROYALYKRMQAEL-OAHLLOKOSA-N 2 0 333.436 1.529 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3c[nH+]ccc3N(C)C)C2)CC1 ZINC000363885872 445882191 /nfs/dbraw/zinc/88/21/91/445882191.db2.gz JEKOVJLCDHKQJW-INIZCTEOSA-N 2 0 345.491 1.388 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(N(C)C)nc2)CC1 ZINC000354033057 445865392 /nfs/dbraw/zinc/86/53/92/445865392.db2.gz HNCLLAABIBQSOY-UHFFFAOYSA-N 2 0 335.496 1.865 20 0 EDADRP O=C(CN1C[C@@H]2CCC[C@H]21)Nc1ccc(CN2CCOCC2)cc1 ZINC000350724121 445888478 /nfs/dbraw/zinc/88/84/78/445888478.db2.gz HKKYSZQHTDSFQO-FUHWJXTLSA-N 2 0 329.444 1.942 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363661230 445865656 /nfs/dbraw/zinc/86/56/56/445865656.db2.gz JEOPLENSEFBXNF-GOSISDBHSA-N 2 0 330.476 1.846 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000356623357 445893233 /nfs/dbraw/zinc/89/32/33/445893233.db2.gz RRHJBDZDXDJDKW-UHFFFAOYSA-N 2 0 326.529 1.449 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000361711979 445893308 /nfs/dbraw/zinc/89/33/08/445893308.db2.gz XMHDDBDNYMCOEV-KBAYOESNSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCSC1 ZINC000354163259 445960246 /nfs/dbraw/zinc/96/02/46/445960246.db2.gz LRFHSZWNXSTNPG-DQPZFDDXSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000354175747 445972164 /nfs/dbraw/zinc/97/21/64/445972164.db2.gz BSGQHTWDUXDVOC-HNAYVOBHSA-N 2 0 342.487 1.995 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000372967562 445948496 /nfs/dbraw/zinc/94/84/96/445948496.db2.gz VOZDPVFJWGIGDI-KRWDZBQOSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3ccncc3)C2)CC1 ZINC000351332619 446034144 /nfs/dbraw/zinc/03/41/44/446034144.db2.gz UBLLWBYWFCAFKS-IBGZPJMESA-N 2 0 332.492 1.951 20 0 EDADRP [NH3+]C1(CNC(=O)C2CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000582963893 325969319 /nfs/dbraw/zinc/96/93/19/325969319.db2.gz ONVGONWUVBWAEH-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000373119478 446042742 /nfs/dbraw/zinc/04/27/42/446042742.db2.gz ZAALHAGIASLYEE-MSOLQXFVSA-N 2 0 325.497 1.489 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@@H]3CC[NH2+][C@@H](C)C3)C2=O)cc1 ZINC000583012160 325979370 /nfs/dbraw/zinc/97/93/70/325979370.db2.gz WFJOMZAVEXHSIO-LESCRADOSA-N 2 0 331.460 1.774 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+](C)Cc1ccccc1 ZINC000354210738 446005814 /nfs/dbraw/zinc/00/58/14/446005814.db2.gz ULHQNBSKLNHJPG-ROUUACIJSA-N 2 0 332.492 1.259 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000583431201 326071513 /nfs/dbraw/zinc/07/15/13/326071513.db2.gz DVLLVKZUMVPCLJ-UYAOXDASSA-N 2 0 345.487 1.830 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]2CCCCN12 ZINC000583493903 326083340 /nfs/dbraw/zinc/08/33/40/326083340.db2.gz KQEQQQJUWCBCKK-WVSUBDOOSA-N 2 0 341.455 1.985 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000583646516 326111791 /nfs/dbraw/zinc/11/17/91/326111791.db2.gz UYRDKDHIVPBHFC-RDJZCZTQSA-N 2 0 343.475 1.190 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583993617 326180045 /nfs/dbraw/zinc/18/00/45/326180045.db2.gz OABSTFLUPHCYMJ-CEXWTWQISA-N 2 0 342.487 1.752 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000359249621 446083159 /nfs/dbraw/zinc/08/31/59/446083159.db2.gz IMOCEGFCSHACCR-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@H](C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1)[NH+](C)C ZINC000366295617 446134825 /nfs/dbraw/zinc/13/48/25/446134825.db2.gz MIMJPISLASNDQT-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)C2=O)c1 ZINC000351498392 446103156 /nfs/dbraw/zinc/10/31/56/446103156.db2.gz VPUWSUJRBQMOOB-JUKXBJQTSA-N 2 0 345.443 1.478 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366257024 446110131 /nfs/dbraw/zinc/11/01/31/446110131.db2.gz RAYIFQIHWRGFTP-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359273691 446110656 /nfs/dbraw/zinc/11/06/56/446110656.db2.gz NREQNFGWDSFEKV-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266792 446113069 /nfs/dbraw/zinc/11/30/69/446113069.db2.gz LSXYNBYNEXFVFN-QZWWFDLISA-N 2 0 336.476 1.951 20 0 EDADRP C[C@@H]([NH2+]CCNc1cnccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361983313 446127555 /nfs/dbraw/zinc/12/75/55/446127555.db2.gz UEOVAHPCCLMLJE-OAHLLOKOSA-N 2 0 329.448 2.180 20 0 EDADRP Cc1ccncc1CCC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000373336569 446169208 /nfs/dbraw/zinc/16/92/08/446169208.db2.gz GSVXXOACUNGUCP-INIZCTEOSA-N 2 0 325.478 1.725 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000354417550 446189417 /nfs/dbraw/zinc/18/94/17/446189417.db2.gz CABKLWCILGBNJR-QZTJIDSGSA-N 2 0 333.476 1.686 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(C)C ZINC000356946903 446147337 /nfs/dbraw/zinc/14/73/37/446147337.db2.gz LTGREVLFYBMJRK-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)[C@@H](C)C2)s1 ZINC000366319540 446147488 /nfs/dbraw/zinc/14/74/88/446147488.db2.gz CDXRJCZSCNEMNU-BLLLJJGKSA-N 2 0 336.505 1.778 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000370233976 446194782 /nfs/dbraw/zinc/19/47/82/446194782.db2.gz VEMKJQXGTGILRI-UAGQMJEPSA-N 2 0 335.496 1.505 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1)C(C)C ZINC000359401810 446201994 /nfs/dbraw/zinc/20/19/94/446201994.db2.gz QSXSZNLUXHWQTF-CVEARBPZSA-N 2 0 340.512 1.020 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC3(CCC3)C2)C1 ZINC000373404652 446203562 /nfs/dbraw/zinc/20/35/62/446203562.db2.gz LUDNVJIDIAOYFO-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1[C@H](C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000362307201 446314086 /nfs/dbraw/zinc/31/40/86/446314086.db2.gz YGDWWYHFKBTEKS-HZPDHXFCSA-N 2 0 340.512 1.115 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365719452 446314318 /nfs/dbraw/zinc/31/43/18/446314318.db2.gz SCDOOAWFPTTWDR-JZXOWHBKSA-N 2 0 340.508 1.595 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000417369912 446350135 /nfs/dbraw/zinc/35/01/35/446350135.db2.gz RYVCPMBZXLLKBZ-BBRMVZONSA-N 2 0 336.505 1.997 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000417371128 446350735 /nfs/dbraw/zinc/35/07/35/446350735.db2.gz VBJCJTBYWKJTHY-WBVHZDCISA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000417479115 446353038 /nfs/dbraw/zinc/35/30/38/446353038.db2.gz JMAZPQNUUYIBDI-MAUKXSAKSA-N 2 0 348.491 1.896 20 0 EDADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000376145243 446353254 /nfs/dbraw/zinc/35/32/54/446353254.db2.gz SODDSYHTLWKTLE-BZSNNMDCSA-N 2 0 331.460 1.616 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417502793 446356433 /nfs/dbraw/zinc/35/64/33/446356433.db2.gz KVBCSYYELRAMFM-SJLPKXTDSA-N 2 0 330.476 1.554 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)[NH+](C)C)c1 ZINC000370612607 446358080 /nfs/dbraw/zinc/35/80/80/446358080.db2.gz OJBUDJIVDJZZEV-QZTJIDSGSA-N 2 0 331.460 1.756 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633892 446365338 /nfs/dbraw/zinc/36/53/38/446365338.db2.gz JFPGGONDVUIIJS-ANQUJSFKSA-N 2 0 330.476 1.683 20 0 EDADRP C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[N@H+](C)Cc1ccccc1 ZINC000417592787 446366049 /nfs/dbraw/zinc/36/60/49/446366049.db2.gz UHMZXUQYJWVUJB-TZMCWYRMSA-N 2 0 328.407 1.789 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944553 446394558 /nfs/dbraw/zinc/39/45/58/446394558.db2.gz CMBYTUFZWAXNLI-NILFDRSVSA-N 2 0 326.391 1.747 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000418062472 446428002 /nfs/dbraw/zinc/42/80/02/446428002.db2.gz ZGURQRNQLRZSFJ-SFHVURJKSA-N 2 0 332.492 1.932 20 0 EDADRP Brc1ccc2c(c1)CC[C@H]([NH2+]CCN1CC[NH2+]CC1)C2 ZINC000423201748 446452325 /nfs/dbraw/zinc/45/23/25/446452325.db2.gz JHUWLOLYQLVBSZ-INIZCTEOSA-N 2 0 338.293 1.801 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418100917 446440089 /nfs/dbraw/zinc/44/00/89/446440089.db2.gz FPWOOPWCOMIKKL-JZXOWHBKSA-N 2 0 330.476 1.900 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000418135212 446441852 /nfs/dbraw/zinc/44/18/52/446441852.db2.gz HRRZBRGOTPKYHK-MSOLQXFVSA-N 2 0 346.475 1.185 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370788035 446443157 /nfs/dbraw/zinc/44/31/57/446443157.db2.gz POVWBCQZXXUNAL-IRXDYDNUSA-N 2 0 348.516 1.505 20 0 EDADRP O=C([C@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281262 446447954 /nfs/dbraw/zinc/44/79/54/446447954.db2.gz ABYXQOHIQHSNDJ-GJZGRUSLSA-N 2 0 329.435 1.956 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279888 446448063 /nfs/dbraw/zinc/44/80/63/446448063.db2.gz XQHRJRFDGLYOAW-WMZOPIPTSA-N 2 0 332.492 1.337 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417989592 446408570 /nfs/dbraw/zinc/40/85/70/446408570.db2.gz TYONWTKGYRRYST-DOTOQJQBSA-N 2 0 334.464 1.185 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000418012705 446415563 /nfs/dbraw/zinc/41/55/63/446415563.db2.gz YBBDCOHKVHFLMZ-XOYOTBSWSA-N 2 0 330.476 1.853 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000418023813 446418218 /nfs/dbraw/zinc/41/82/18/446418218.db2.gz CEWMFWROFIEXAO-ZDUSSCGKSA-N 2 0 332.370 1.956 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418021820 446418295 /nfs/dbraw/zinc/41/82/95/446418295.db2.gz AIGAGCQPFWKTTG-XWTMOSNGSA-N 2 0 330.476 1.660 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C2([NH3+])CCCCC2)[C@@H](c2ccccc2)C1 ZINC000370765907 446424772 /nfs/dbraw/zinc/42/47/72/446424772.db2.gz IESJMZKNZTVBCN-GOSISDBHSA-N 2 0 344.503 1.753 20 0 EDADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000418056184 446426596 /nfs/dbraw/zinc/42/65/96/446426596.db2.gz JMSYVRWCMZFWBC-YJBOKZPZSA-N 2 0 332.492 1.978 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418190046 446453921 /nfs/dbraw/zinc/45/39/21/446453921.db2.gz ISRMANGYNYKXQR-OAHLLOKOSA-N 2 0 349.479 1.211 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)[C@H]1CCC[NH2+]C1 ZINC000423215935 446456171 /nfs/dbraw/zinc/45/61/71/446456171.db2.gz NUVWTQYYNYPSSB-RVSPLBMKSA-N 2 0 337.489 1.689 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)NCC[N@@H+]1CCCOCC1 ZINC000418225696 446465353 /nfs/dbraw/zinc/46/53/53/446465353.db2.gz NUFFFWDEVTYZBJ-UHFFFAOYSA-N 2 0 326.485 1.320 20 0 EDADRP COC(=O)c1ccccc1NC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420307765 446470718 /nfs/dbraw/zinc/47/07/18/446470718.db2.gz MMCZVZFXVVQVFQ-QEJZJMRPSA-N 2 0 331.416 1.471 20 0 EDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Br)cn1 ZINC000420312483 446475319 /nfs/dbraw/zinc/47/53/19/446475319.db2.gz HTJNWTUSRUJMEI-LLVKDONJSA-N 2 0 341.253 1.714 20 0 EDADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000432545418 446482591 /nfs/dbraw/zinc/48/25/91/446482591.db2.gz ILEFWZUAFPSOSA-VQHPVUNQSA-N 2 0 325.497 1.865 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)c1ccccc1 ZINC000370862166 446486011 /nfs/dbraw/zinc/48/60/11/446486011.db2.gz PQGUNGXUVNUBIF-SFHVURJKSA-N 2 0 331.460 1.790 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC[NH2+]C1 ZINC000423325162 446488331 /nfs/dbraw/zinc/48/83/31/446488331.db2.gz LCOWUQHFGPWAND-SJLPKXTDSA-N 2 0 325.497 1.485 20 0 EDADRP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323331 446488920 /nfs/dbraw/zinc/48/89/20/446488920.db2.gz GDECBIJPOVQZNE-SJORKVTESA-N 2 0 331.460 1.503 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423363738 446501133 /nfs/dbraw/zinc/50/11/33/446501133.db2.gz VDBOIJKZUIMIHX-HNNXBMFYSA-N 2 0 336.484 1.401 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332502 446504153 /nfs/dbraw/zinc/50/41/53/446504153.db2.gz SOFBUSACROJFTF-ZWKOTPCHSA-N 2 0 345.491 1.830 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334985 446504914 /nfs/dbraw/zinc/50/49/14/446504914.db2.gz UQLCQCKESLSUSH-KRWDZBQOSA-N 2 0 337.508 1.760 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418349751 446508465 /nfs/dbraw/zinc/50/84/65/446508465.db2.gz XXSBTSGGELRZJL-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338503 446510624 /nfs/dbraw/zinc/51/06/24/446510624.db2.gz ROUWOWFVICDUDO-RUENVJTFSA-N 2 0 337.508 1.852 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000418358362 446513943 /nfs/dbraw/zinc/51/39/43/446513943.db2.gz ZDDZOITZPCKKQK-CVEARBPZSA-N 2 0 333.480 1.543 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000423392020 446514909 /nfs/dbraw/zinc/51/49/09/446514909.db2.gz XGSMGQNCPFVSNG-XHSDSOJGSA-N 2 0 340.512 1.007 20 0 EDADRP Cc1ccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420343148 446515251 /nfs/dbraw/zinc/51/52/51/446515251.db2.gz RFBMXQLRBKAOBJ-IYBDPMFKSA-N 2 0 344.459 1.883 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423361079 446499361 /nfs/dbraw/zinc/49/93/61/446499361.db2.gz GPPXRMINHRHNJU-CLCXKQKWSA-N 2 0 342.443 1.074 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423359156 446499757 /nfs/dbraw/zinc/49/97/57/446499757.db2.gz CRMVVDBICHRBOV-RAIGVLPGSA-N 2 0 328.254 1.859 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000418484495 446561462 /nfs/dbraw/zinc/56/14/62/446561462.db2.gz ZZDFTVYKTIBPHP-XIRDDKMYSA-N 2 0 334.464 1.725 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418487777 446562599 /nfs/dbraw/zinc/56/25/99/446562599.db2.gz JFAFJXHKRGSSIO-QSFKDOLUSA-N 2 0 338.496 1.038 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423527847 446562894 /nfs/dbraw/zinc/56/28/94/446562894.db2.gz WCNLRDBMDRIXMA-JSXRDJHFSA-N 3 0 342.531 1.780 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000423395805 446516862 /nfs/dbraw/zinc/51/68/62/446516862.db2.gz RYIZFXOILBDULH-QGZVFWFLSA-N 2 0 336.524 1.439 20 0 EDADRP C[C@@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344766 446517754 /nfs/dbraw/zinc/51/77/54/446517754.db2.gz USJNWFONEPRRTO-SOUVJXGZSA-N 2 0 333.501 1.953 20 0 EDADRP COCC1(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC[NH2+]CC1 ZINC000423404078 446520252 /nfs/dbraw/zinc/52/02/52/446520252.db2.gz IIAQGRNSWYVCJN-PKOBYXMFSA-N 2 0 346.519 1.898 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418398161 446527721 /nfs/dbraw/zinc/52/77/21/446527721.db2.gz KGNYVQYGBPHZOD-MSOLQXFVSA-N 2 0 345.491 1.815 20 0 EDADRP CC(C)(C(N)=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433150371 446537453 /nfs/dbraw/zinc/53/74/53/446537453.db2.gz WNONJTGZKYZKJO-UHFFFAOYSA-N 2 0 346.475 1.591 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420360229 446539705 /nfs/dbraw/zinc/53/97/05/446539705.db2.gz KVGCWFYFJXNPBJ-INIZCTEOSA-N 2 0 340.489 1.837 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418428804 446540583 /nfs/dbraw/zinc/54/05/83/446540583.db2.gz MYRRSANPCCORDY-HOCLYGCPSA-N 2 0 334.464 1.173 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423449042 446542618 /nfs/dbraw/zinc/54/26/18/446542618.db2.gz VVWBWNVDVBAPSM-GJZGRUSLSA-N 2 0 333.480 1.823 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423449043 446542761 /nfs/dbraw/zinc/54/27/61/446542761.db2.gz VVWBWNVDVBAPSM-HUUCEWRRSA-N 2 0 333.480 1.823 20 0 EDADRP CS(=O)(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420365071 446544903 /nfs/dbraw/zinc/54/49/03/446544903.db2.gz DMAVUXHLAALYCP-OAHLLOKOSA-N 2 0 336.501 1.880 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418450226 446547192 /nfs/dbraw/zinc/54/71/92/446547192.db2.gz LFZQYILCICCLHD-QGZVFWFLSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000453148046 446549171 /nfs/dbraw/zinc/54/91/71/446549171.db2.gz QPCWIVHMSDOPIW-HNNXBMFYSA-N 2 0 341.459 1.489 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000367975730 446616148 /nfs/dbraw/zinc/61/61/48/446616148.db2.gz BVPZEENPNGJWPQ-IRXDYDNUSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000375166623 446619071 /nfs/dbraw/zinc/61/90/71/446619071.db2.gz KADHQXMCOOQOQC-MRXNPFEDSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418547545 446588958 /nfs/dbraw/zinc/58/89/58/446588958.db2.gz JFMHEURDPZKOGZ-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418559693 446594094 /nfs/dbraw/zinc/59/40/94/446594094.db2.gz WLEINIPRVPFYBO-UHFFFAOYSA-N 2 0 348.491 1.790 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418588257 446605130 /nfs/dbraw/zinc/60/51/30/446605130.db2.gz HPSNZGWDTALOMI-WMLDXEAASA-N 2 0 336.455 1.897 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418594549 446607265 /nfs/dbraw/zinc/60/72/65/446607265.db2.gz UVBLKNRNBXOETN-NXHRZFHOSA-N 2 0 330.476 1.758 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC[N@@H+]1CCOC ZINC000418600449 446609284 /nfs/dbraw/zinc/60/92/84/446609284.db2.gz KVMUCZYBYRSTDX-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418600117 446609803 /nfs/dbraw/zinc/60/98/03/446609803.db2.gz KIWDBTUFPDSIIZ-BPQIPLTHSA-N 2 0 348.491 1.167 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000418654351 446636495 /nfs/dbraw/zinc/63/64/95/446636495.db2.gz PQDGOZYRSAFQDG-RLFYNMQTSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658144 446637309 /nfs/dbraw/zinc/63/73/09/446637309.db2.gz JCSBGXCWBJRSDI-KVDVXYDOSA-N 2 0 334.508 1.746 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000418666711 446642120 /nfs/dbraw/zinc/64/21/20/446642120.db2.gz GLAOSSXMNKKWQK-JZXOWHBKSA-N 2 0 348.491 1.563 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1CC ZINC000418732395 446657518 /nfs/dbraw/zinc/65/75/18/446657518.db2.gz JMTOASWWHXFESX-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1CC ZINC000418732397 446659500 /nfs/dbraw/zinc/65/95/00/446659500.db2.gz JMTOASWWHXFESX-IXDOHACOSA-N 2 0 340.512 1.646 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000423734374 446668154 /nfs/dbraw/zinc/66/81/54/446668154.db2.gz AUXAMBHRVHOPDZ-KURKYZTESA-N 2 0 336.524 1.523 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418631543 446622715 /nfs/dbraw/zinc/62/27/15/446622715.db2.gz GRMPGQWTDCLQDB-SFHVURJKSA-N 2 0 330.476 1.857 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418647365 446632072 /nfs/dbraw/zinc/63/20/72/446632072.db2.gz XWAAKNSPPAZOIH-SJLPKXTDSA-N 2 0 346.475 1.019 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418768902 446687333 /nfs/dbraw/zinc/68/73/33/446687333.db2.gz MYDBPMYYZYWBTR-HOTGVXAUSA-N 2 0 338.496 1.413 20 0 EDADRP CCC[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418771979 446690009 /nfs/dbraw/zinc/69/00/09/446690009.db2.gz PSDIGZSVLLJPDZ-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000423837814 446726695 /nfs/dbraw/zinc/72/66/95/446726695.db2.gz BSRZYPQEDKMSMK-GVDBMIGSSA-N 2 0 335.423 1.094 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000418819898 446726725 /nfs/dbraw/zinc/72/67/25/446726725.db2.gz PFDRAXNFTZWERS-MRXNPFEDSA-N 2 0 348.491 1.348 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271666 446730603 /nfs/dbraw/zinc/73/06/03/446730603.db2.gz UEIQMEXIRCKNSB-LPHOPBHVSA-N 2 0 333.476 1.639 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C2(C[NH3+])CCOCC2)CC1 ZINC000375349487 446741393 /nfs/dbraw/zinc/74/13/93/446741393.db2.gz ZDSBQZUTOMFEJH-UHFFFAOYSA-N 2 0 345.487 1.785 20 0 EDADRP CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000423998469 446815232 /nfs/dbraw/zinc/81/52/32/446815232.db2.gz PFIRLCMSKWEYKJ-IXDOHACOSA-N 2 0 345.491 1.807 20 0 EDADRP C[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)[NH+]1CCCCCC1 ZINC000423997854 446815621 /nfs/dbraw/zinc/81/56/21/446815621.db2.gz IIZNEAWLIBOJGB-BPQIPLTHSA-N 2 0 337.508 1.996 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000418942750 446815947 /nfs/dbraw/zinc/81/59/47/446815947.db2.gz XUPMVVMMGZMZHX-CVEARBPZSA-N 2 0 340.512 1.201 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1cccc(F)c1 ZINC000424008405 446820091 /nfs/dbraw/zinc/82/00/91/446820091.db2.gz HYLUJNWSGHSRLU-JFMONLCZSA-N 2 0 331.435 2.000 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000420820830 446842423 /nfs/dbraw/zinc/84/24/23/446842423.db2.gz QGWHVWTZXTZGIQ-INIZCTEOSA-N 2 0 349.479 1.258 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000418980598 446844080 /nfs/dbraw/zinc/84/40/80/446844080.db2.gz AMGIESRTNJLOCN-KRWDZBQOSA-N 2 0 348.491 1.196 20 0 EDADRP CN(Cc1ncccn1)[C@H]1CCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000423984971 446806503 /nfs/dbraw/zinc/80/65/03/446806503.db2.gz CNKBTIROLMYFKC-INIZCTEOSA-N 2 0 345.491 1.809 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CCC[N@@H+]2C)C[C@@H](C)O1 ZINC000420768773 446806969 /nfs/dbraw/zinc/80/69/69/446806969.db2.gz WONHWSPNGGUOOW-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP C[N@H+](CCCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccccc1 ZINC000454209060 446807240 /nfs/dbraw/zinc/80/72/40/446807240.db2.gz IELXLKJVIQHXKN-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[NH+](C)C ZINC000454438014 446872988 /nfs/dbraw/zinc/87/29/88/446872988.db2.gz QIPYUWQHIXBRBD-HNNXBMFYSA-N 2 0 336.480 1.766 20 0 EDADRP CCCCCOCC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371469689 446875719 /nfs/dbraw/zinc/87/57/19/446875719.db2.gz GERIYNRKHSYVLP-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419034529 446876041 /nfs/dbraw/zinc/87/60/41/446876041.db2.gz ZYTKPIVXNAEZRZ-CQSZACIVSA-N 2 0 340.512 1.247 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)CCc2ccccc21 ZINC000372107984 447006434 /nfs/dbraw/zinc/00/64/34/447006434.db2.gz NCBSRPHLNITYAN-PXNSSMCTSA-N 2 0 345.487 1.353 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000375752725 447022956 /nfs/dbraw/zinc/02/29/56/447022956.db2.gz GDUXRPAHITUHSP-AEFFLSMTSA-N 2 0 336.524 1.534 20 0 EDADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](Cc3cccnc3)CC2)[C@@H]1C[NH3+] ZINC000372119188 447012681 /nfs/dbraw/zinc/01/26/81/447012681.db2.gz XJKVSNCDFQZZDW-CRAIPNDOSA-N 2 0 330.476 1.879 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000454969865 447016106 /nfs/dbraw/zinc/01/61/06/447016106.db2.gz JIXNZHCGGROUML-OKILXGFUSA-N 2 0 328.526 1.548 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000375704304 446987503 /nfs/dbraw/zinc/98/75/03/446987503.db2.gz BFMKYIUEZFFDRZ-MANSERQUSA-N 2 0 345.487 1.691 20 0 EDADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)c1 ZINC000375702782 446987852 /nfs/dbraw/zinc/98/78/52/446987852.db2.gz CYHHHGKLTKOBAK-MSOLQXFVSA-N 2 0 331.460 1.582 20 0 EDADRP CN(C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000454864963 446989652 /nfs/dbraw/zinc/98/96/52/446989652.db2.gz RMRIPPKMNNBANN-ULQDDVLXSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@@H](CC(=O)N1CC[NH+]([C@H]2CCSC2)CC1)C1CC[NH2+]CC1 ZINC000372101882 447001728 /nfs/dbraw/zinc/00/17/28/447001728.db2.gz LNTZEHIXABYFLB-HOCLYGCPSA-N 2 0 325.522 1.662 20 0 EDADRP Cc1cc(NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n2ncnc2n1 ZINC000375851130 447098795 /nfs/dbraw/zinc/09/87/95/447098795.db2.gz KSKPQTWANOJHIA-ZNMIVQPWSA-N 2 0 329.452 1.307 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)CC1 ZINC000425399755 447143839 /nfs/dbraw/zinc/14/38/39/447143839.db2.gz BQKXPXPHXSJAST-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3Cc4ccccc4[C@H]3O)CC2)CC1 ZINC000368820726 447133688 /nfs/dbraw/zinc/13/36/88/447133688.db2.gz GCDPCUVBDGKNFQ-VQTJNVASSA-N 2 0 343.515 1.994 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C(C)(C)COC)CC2)C1 ZINC000425468997 447178618 /nfs/dbraw/zinc/17/86/18/447178618.db2.gz DZCBURMGPHHSSX-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@@H]2[C@H]1c1ccccc1 ZINC000375967683 447182325 /nfs/dbraw/zinc/18/23/25/447182325.db2.gz DUSKHIHPEXZBBL-VXIBKDFQSA-N 2 0 329.444 1.126 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000425479659 447184318 /nfs/dbraw/zinc/18/43/18/447184318.db2.gz QFVZCSDBVBEWJE-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000455652957 447195648 /nfs/dbraw/zinc/19/56/48/447195648.db2.gz CZNBHYORYWLYFD-UHFFFAOYSA-N 2 0 334.468 1.441 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CCC[N@@H+]1C ZINC000445925591 447208760 /nfs/dbraw/zinc/20/87/60/447208760.db2.gz OLWVUIRPGQPUNW-ZBFHGGJFSA-N 2 0 346.475 1.328 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000368991575 447252002 /nfs/dbraw/zinc/25/20/02/447252002.db2.gz JSIVAXOPEJFKTL-SJORKVTESA-N 2 0 338.496 1.272 20 0 EDADRP C[C@H](CCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@@H]1C)[NH+]1CCCCC1 ZINC000419484637 447214941 /nfs/dbraw/zinc/21/49/41/447214941.db2.gz XFRGJCSZRGYVHU-ZACQAIPSSA-N 2 0 340.512 1.347 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]C1 ZINC000379667135 447454371 /nfs/dbraw/zinc/45/43/71/447454371.db2.gz YNRPNGJNEQODCO-QRFRQXIXSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390991642 447508161 /nfs/dbraw/zinc/50/81/61/447508161.db2.gz MTEHPEKXQJHODO-XVLXNVKGSA-N 2 0 343.471 1.677 20 0 EDADRP CCc1cc(CCC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)on1 ZINC000450545706 447521000 /nfs/dbraw/zinc/52/10/00/447521000.db2.gz ADOFFTBDLMUFMY-UHFFFAOYSA-N 2 0 336.480 1.559 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000456873504 447471185 /nfs/dbraw/zinc/47/11/85/447471185.db2.gz AITGGTPQULRQHF-KRWDZBQOSA-N 2 0 336.524 1.393 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416203732 447536073 /nfs/dbraw/zinc/53/60/73/447536073.db2.gz YRSCKRCMNYFROR-MJGOQNOKSA-N 2 0 327.472 1.987 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416210143 447539279 /nfs/dbraw/zinc/53/92/79/447539279.db2.gz OMVKUHRKLPCYDT-MJGOQNOKSA-N 2 0 346.519 1.822 20 0 EDADRP COCCOC[C@@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640590 447545777 /nfs/dbraw/zinc/54/57/77/447545777.db2.gz MVNCCQRNQFHQSO-SFHVURJKSA-N 2 0 337.464 1.254 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000416245974 447548969 /nfs/dbraw/zinc/54/89/69/447548969.db2.gz YYMXCAVBKWPPIO-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000459060064 447557656 /nfs/dbraw/zinc/55/76/56/447557656.db2.gz OCQCHJFBAUDHMC-OOKSDGMUSA-N 2 0 334.508 1.985 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000457820273 447640209 /nfs/dbraw/zinc/64/02/09/447640209.db2.gz VFXPUAAOWRYVMQ-HOTGVXAUSA-N 2 0 328.501 1.109 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457823492 447641641 /nfs/dbraw/zinc/64/16/41/447641641.db2.gz XRPWQTOGMGEFLZ-HOTGVXAUSA-N 2 0 328.501 1.109 20 0 EDADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000427466982 447602168 /nfs/dbraw/zinc/60/21/68/447602168.db2.gz YFSGAFIHACJUNZ-GOSISDBHSA-N 2 0 348.535 1.489 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(F)c1 ZINC000416852633 447697234 /nfs/dbraw/zinc/69/72/34/447697234.db2.gz SKNHZSBBKUIGHL-HZPDHXFCSA-N 2 0 338.427 1.188 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457864446 447653066 /nfs/dbraw/zinc/65/30/66/447653066.db2.gz UCZAWAMHTLMFOV-QGZVFWFLSA-N 2 0 338.496 1.007 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cn3cccnc3n2)(N2CCCCC2)CC1 ZINC000459423960 447660465 /nfs/dbraw/zinc/66/04/65/447660465.db2.gz PSNFJPYBJGUEKA-UHFFFAOYSA-N 2 0 342.491 1.769 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416805473 447689132 /nfs/dbraw/zinc/68/91/32/447689132.db2.gz FAKWIKSECVDIKM-UHFFFAOYSA-N 2 0 340.512 1.838 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000457982893 447690035 /nfs/dbraw/zinc/69/00/35/447690035.db2.gz KRQGPBKMNXELHN-SFHVURJKSA-N 2 0 338.496 1.225 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000416814915 447691159 /nfs/dbraw/zinc/69/11/59/447691159.db2.gz NVDRAVXHGOQPPS-GOSISDBHSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC2([NH3+])CCCCC2)C[C@@H](C)O1 ZINC000416939415 447716295 /nfs/dbraw/zinc/71/62/95/447716295.db2.gz HKQFGRNNECLFQD-HUUCEWRRSA-N 2 0 326.485 1.447 20 0 EDADRP CC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000422831377 447763798 /nfs/dbraw/zinc/76/37/98/447763798.db2.gz SMVWRJZQWXAUQL-CABCVRRESA-N 2 0 336.480 1.751 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000416953494 447725281 /nfs/dbraw/zinc/72/52/81/447725281.db2.gz KOMKMKUNLBQXTP-ULQDDVLXSA-N 2 0 339.528 1.027 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422735890 447733414 /nfs/dbraw/zinc/73/34/14/447733414.db2.gz FMTTYTOQMUAGBS-SJLPKXTDSA-N 2 0 335.492 1.526 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000417104616 447735017 /nfs/dbraw/zinc/73/50/17/447735017.db2.gz FLLRJJUYZZIMNW-MRXNPFEDSA-N 2 0 340.537 1.728 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)Cn1ccnn1 ZINC000459695444 447741947 /nfs/dbraw/zinc/74/19/47/447741947.db2.gz KRCCFYNUYTZDGF-WJFTUGDTSA-N 2 0 341.459 1.139 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CCC[C@@](O)(CO)C1)C1CC[NH+](C)CC1 ZINC000459713255 447749854 /nfs/dbraw/zinc/74/98/54/447749854.db2.gz KSSKTEQOFHWZMA-FQEVSTJZSA-N 2 0 347.503 1.536 20 0 EDADRP CC[C@@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422827050 447761731 /nfs/dbraw/zinc/76/17/31/447761731.db2.gz MOOYTWCORUZGGI-SJORKVTESA-N 2 0 332.496 1.109 20 0 EDADRP CC(C)[NH+]1CC[C@@H](N(C)C[C@H](O)CN(C)[C@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452110808 447816622 /nfs/dbraw/zinc/81/66/22/447816622.db2.gz AMGZVONUFGOIIZ-BWTSREIZSA-N 2 0 340.556 1.176 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843041 447766897 /nfs/dbraw/zinc/76/68/97/447766897.db2.gz GUHQENSVZDSCSA-IAGOWNOFSA-N 2 0 345.491 1.227 20 0 EDADRP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422849177 447768744 /nfs/dbraw/zinc/76/87/44/447768744.db2.gz UTUHVEHDMMYAMT-PKOBYXMFSA-N 3 0 331.508 1.714 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000422864121 447770595 /nfs/dbraw/zinc/77/05/95/447770595.db2.gz TZUUTZFMKDVVJH-LESCRADOSA-N 2 0 341.459 1.897 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000422914198 447771728 /nfs/dbraw/zinc/77/17/28/447771728.db2.gz SCPQZTJACXYQEE-YJBOKZPZSA-N 3 0 332.492 1.456 20 0 EDADRP COc1ccc([C@H](NC[C@H]2C[N@H+](C)CCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422914790 447771775 /nfs/dbraw/zinc/77/17/75/447771775.db2.gz VZVBBTRHYCHYKK-UHOSZYNNSA-N 2 0 332.492 1.324 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950743 447778609 /nfs/dbraw/zinc/77/86/09/447778609.db2.gz WRULGUOHUVHISY-HIFRSBDPSA-N 2 0 325.478 1.730 20 0 EDADRP CC(C)NS(=O)(=O)CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422948997 447778692 /nfs/dbraw/zinc/77/86/92/447778692.db2.gz TZOSZNLQZJIVGP-CVEARBPZSA-N 2 0 325.478 1.397 20 0 EDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)NC(=O)NCc1ccccc1 ZINC000430565196 447780871 /nfs/dbraw/zinc/78/08/71/447780871.db2.gz OSTPDHXQSRFOLV-INIZCTEOSA-N 2 0 334.464 1.708 20 0 EDADRP C[C@H](C[C@H]1COCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000422960458 447781463 /nfs/dbraw/zinc/78/14/63/447781463.db2.gz WLSKJONVLSPYHY-SJORKVTESA-N 2 0 325.497 1.378 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000462614340 447800146 /nfs/dbraw/zinc/80/01/46/447800146.db2.gz GKMXSDOUTLHIQX-OWCLPIDISA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487946696 447838644 /nfs/dbraw/zinc/83/86/44/447838644.db2.gz BWIOHRQECCAWPM-JYYAWHABSA-N 2 0 333.480 1.117 20 0 EDADRP CN1CCc2ncnc(NCc3ccc(Cn4ccnc4)cc3)c2C1 ZINC000522949610 447865788 /nfs/dbraw/zinc/86/57/88/447865788.db2.gz QEXYNNKUQMQCJX-UHFFFAOYSA-N 2 0 334.427 2.321 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489766478 447872876 /nfs/dbraw/zinc/87/28/76/447872876.db2.gz PSVJAJSOYYFFFT-GVDBMIGSSA-N 2 0 340.512 1.251 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530818998 447964941 /nfs/dbraw/zinc/96/49/41/447964941.db2.gz CHSLXRAQQNYRFP-QUCCMNQESA-N 2 0 345.487 1.614 20 0 EDADRP CN(CCC[NH+]1CCN(c2nccn2C)CC1)C(=O)OC(C)(C)C ZINC000497186871 447936894 /nfs/dbraw/zinc/93/68/94/447936894.db2.gz LYJVODVXUCPMQN-UHFFFAOYSA-N 2 0 337.468 1.799 20 0 EDADRP CC(C)Oc1cccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000530880764 447976366 /nfs/dbraw/zinc/97/63/66/447976366.db2.gz GKVTZWKBSYLBSX-UHFFFAOYSA-N 2 0 335.492 1.968 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000553429269 447993359 /nfs/dbraw/zinc/99/33/59/447993359.db2.gz WDFVBQPWBGZGEW-MRXNPFEDSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000570382553 447998425 /nfs/dbraw/zinc/99/84/25/447998425.db2.gz PAWKPXRSRAXVEA-MAUKXSAKSA-N 2 0 328.460 1.868 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576290984 448021433 /nfs/dbraw/zinc/02/14/33/448021433.db2.gz VXNZUFZRSGRKML-MOPGFXCFSA-N 2 0 345.487 1.472 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3CC[NH+](C4CC4)CC3)cc2)[nH]1 ZINC000576397910 448044690 /nfs/dbraw/zinc/04/46/90/448044690.db2.gz ZOIZBFWTQIIUGG-UHFFFAOYSA-N 2 0 340.431 1.743 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000531482904 448091565 /nfs/dbraw/zinc/09/15/65/448091565.db2.gz QZYPUDWLBNSNIF-WRWLIDTKSA-N 2 0 343.471 1.365 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CCCC1 ZINC000571058601 448103581 /nfs/dbraw/zinc/10/35/81/448103581.db2.gz LMNWENRBGVLYMB-INIZCTEOSA-N 2 0 338.496 1.448 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000502755088 448104805 /nfs/dbraw/zinc/10/48/05/448104805.db2.gz DYAPZVYOQWLEMV-PVAVHDDUSA-N 2 0 338.496 1.364 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)C1 ZINC000502754597 448105120 /nfs/dbraw/zinc/10/51/20/448105120.db2.gz BYJDWCXPWNHZOU-QAETUUGQSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1=CC[N@H+](C)CC1 ZINC000576647849 448106152 /nfs/dbraw/zinc/10/61/52/448106152.db2.gz HFNINJUCKZDYSP-PBHICJAKSA-N 2 0 337.533 1.971 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000571075190 448107075 /nfs/dbraw/zinc/10/70/75/448107075.db2.gz OWUHOPZLRPUZNB-WMZOPIPTSA-N 2 0 349.475 1.706 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000571433350 448154025 /nfs/dbraw/zinc/15/40/25/448154025.db2.gz YSVWOLBNXPIEHM-MJGOQNOKSA-N 2 0 348.487 1.825 20 0 EDADRP COc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)ccn1 ZINC000556264336 448112044 /nfs/dbraw/zinc/11/20/44/448112044.db2.gz LMRPYMKYKUNDIQ-ZBFHGGJFSA-N 2 0 336.480 1.833 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000576772736 448137340 /nfs/dbraw/zinc/13/73/40/448137340.db2.gz SNHUKIXTAPEFCQ-CWFSZBLJSA-N 2 0 329.488 1.478 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000576885201 448162650 /nfs/dbraw/zinc/16/26/50/448162650.db2.gz QTFBQEIZBONJFZ-LTIDMASMSA-N 2 0 333.863 1.996 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000571702125 448193396 /nfs/dbraw/zinc/19/33/96/448193396.db2.gz DCHZZLQMYSTNKH-ROUUACIJSA-N 2 0 330.476 1.697 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000514825515 448208938 /nfs/dbraw/zinc/20/89/38/448208938.db2.gz YAICSQCTZTXTCZ-GOSISDBHSA-N 2 0 335.467 1.346 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000576898596 448166302 /nfs/dbraw/zinc/16/63/02/448166302.db2.gz IYPLGVTZWWAMSE-ROUUACIJSA-N 2 0 332.492 1.432 20 0 EDADRP FC(F)(F)CN1CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000571908908 448234907 /nfs/dbraw/zinc/23/49/07/448234907.db2.gz KSTWURNMPGSQTO-UHFFFAOYSA-N 2 0 346.401 1.388 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000577520656 448320768 /nfs/dbraw/zinc/32/07/68/448320768.db2.gz IUIGIUZVYRDZES-ZACQAIPSSA-N 2 0 343.537 1.653 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCSCc2ccccc2F)CC1 ZINC000572235675 448321832 /nfs/dbraw/zinc/32/18/32/448321832.db2.gz FONBVVMTMKDYAI-MRXNPFEDSA-N 2 0 341.496 1.257 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000532602357 448279438 /nfs/dbraw/zinc/27/94/38/448279438.db2.gz JLKANEMBYZEFHA-INIZCTEOSA-N 2 0 340.512 1.110 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)S(C)(=O)=O ZINC000582601911 448285469 /nfs/dbraw/zinc/28/54/69/448285469.db2.gz WWVHEVPEZIOUBA-KBPBESRZSA-N 2 0 330.519 1.983 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000577473922 448304979 /nfs/dbraw/zinc/30/49/79/448304979.db2.gz BNAFETVWRUZMLE-BPQIPLTHSA-N 2 0 346.475 1.500 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527796988 448363279 /nfs/dbraw/zinc/36/32/79/448363279.db2.gz BWFXSCPUBCTQPN-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000566157017 448398162 /nfs/dbraw/zinc/39/81/62/448398162.db2.gz BNEFOUYBENYOIZ-XJKSGUPXSA-N 2 0 332.448 1.024 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000516580786 448442678 /nfs/dbraw/zinc/44/26/78/448442678.db2.gz RUDUIKGDFIWRHC-AAEUAGOBSA-N 2 0 348.838 1.671 20 0 EDADRP COc1cc2c(cc1C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000591701465 448461615 /nfs/dbraw/zinc/46/16/15/448461615.db2.gz VMYVOAOJYBHXNY-HZPDHXFCSA-N 2 0 347.503 1.992 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@H](O)COCc2ccccc2OC)CC1 ZINC000584346272 448491461 /nfs/dbraw/zinc/49/14/61/448491461.db2.gz ZECLIKOYWDCOPS-GOSISDBHSA-N 2 0 336.476 1.894 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000572999101 448519048 /nfs/dbraw/zinc/51/90/48/448519048.db2.gz FEJXIUGKSRDRKH-WNRNVDISSA-N 2 0 329.444 1.096 20 0 EDADRP CC(C)c1nc(CC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000566732599 448547678 /nfs/dbraw/zinc/54/76/78/448547678.db2.gz CWBDKWZDXNCEQX-LZWOXQAQSA-N 2 0 341.521 1.869 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[NH2+][C@@H]3C)CC2)cc1 ZINC000573242995 448578686 /nfs/dbraw/zinc/57/86/86/448578686.db2.gz QFZQBVRXCRDAKN-QAPCUYQASA-N 2 0 331.460 1.728 20 0 EDADRP CC(C)[C@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCN(C)CC1 ZINC000584717285 448606022 /nfs/dbraw/zinc/60/60/22/448606022.db2.gz PRTGGLHFVRXCQY-QAPCUYQASA-N 2 0 332.492 1.708 20 0 EDADRP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3C3CC[NH2+]CC3)cnc12 ZINC000567093796 448610687 /nfs/dbraw/zinc/61/06/87/448610687.db2.gz FMRONPXLXYUOFX-AEFFLSMTSA-N 2 0 341.459 1.379 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000539438910 448612613 /nfs/dbraw/zinc/61/26/13/448612613.db2.gz PRCDJRARCRMMOY-SFHVURJKSA-N 2 0 328.460 1.672 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@H](O)C[NH+]3CCCC3)c2cc1C ZINC000566916353 448585546 /nfs/dbraw/zinc/58/55/46/448585546.db2.gz ZWPVNEDVQITMHX-IRXDYDNUSA-N 2 0 346.475 1.060 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000578745288 448625361 /nfs/dbraw/zinc/62/53/61/448625361.db2.gz MONNMXOFLQNPFL-RDJZCZTQSA-N 2 0 339.867 1.685 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](C)C2)ccc1C[NH+](C)C ZINC000573543263 448653352 /nfs/dbraw/zinc/65/33/52/448653352.db2.gz HTDXATPPYCYQEH-HNNXBMFYSA-N 2 0 346.475 1.453 20 0 EDADRP CN1CCN(C(=O)C2CC[NH+](Cc3cccc4c[nH]nc43)CC2)CC1 ZINC000584865414 448659724 /nfs/dbraw/zinc/65/97/24/448659724.db2.gz BNQNXFJJERDGMT-UHFFFAOYSA-N 2 0 341.459 1.549 20 0 EDADRP CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000592024676 448633606 /nfs/dbraw/zinc/63/36/06/448633606.db2.gz TYZNXGRJRWNCDF-HNNXBMFYSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000567403125 448686355 /nfs/dbraw/zinc/68/63/55/448686355.db2.gz HVMIHVCQWUNQOW-KRWDZBQOSA-N 2 0 344.503 1.392 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000518537047 448689859 /nfs/dbraw/zinc/68/98/59/448689859.db2.gz SRDPSZYPEBOSDC-QZTJIDSGSA-N 2 0 330.476 1.894 20 0 EDADRP CN(C(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000573805873 448718604 /nfs/dbraw/zinc/71/86/04/448718604.db2.gz SRWVXBQHEVIQGL-SJLPKXTDSA-N 2 0 347.507 1.714 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091864 448676152 /nfs/dbraw/zinc/67/61/52/448676152.db2.gz KNUIINKOQVKVSU-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567638777 448728260 /nfs/dbraw/zinc/72/82/60/448728260.db2.gz BUESERDYTAATMI-NSHDSACASA-N 2 0 330.259 1.946 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000518984736 448728340 /nfs/dbraw/zinc/72/83/40/448728340.db2.gz FPCCIRNHTAEGMA-DOTOQJQBSA-N 2 0 325.497 1.853 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)nc1 ZINC000579231606 448748068 /nfs/dbraw/zinc/74/80/68/448748068.db2.gz MLSMTCYRUZJXJT-MRXNPFEDSA-N 2 0 334.464 1.545 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000579333253 448769005 /nfs/dbraw/zinc/76/90/05/448769005.db2.gz WHWPMVBHMKZJGV-CVEARBPZSA-N 2 0 338.496 1.258 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000574024667 448772507 /nfs/dbraw/zinc/77/25/07/448772507.db2.gz FMRLMKCWXRVPCT-BBWFWOEESA-N 2 0 334.508 1.794 20 0 EDADRP COc1cc(NC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000568107192 448818501 /nfs/dbraw/zinc/81/85/01/448818501.db2.gz FMMSNIDNLGFAJO-CQSZACIVSA-N 2 0 335.448 1.916 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000529314009 448818572 /nfs/dbraw/zinc/81/85/72/448818572.db2.gz MGAVCGFQOAPDMU-NXHRZFHOSA-N 2 0 346.475 1.327 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccccc2CC[NH3+])CC1 ZINC000568151577 448823589 /nfs/dbraw/zinc/82/35/89/448823589.db2.gz FSVQVIFEHANNGT-SFHVURJKSA-N 2 0 344.503 1.430 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2cc(F)ccc2F)C[C@H](C)O1 ZINC000568254746 448845933 /nfs/dbraw/zinc/84/59/33/448845933.db2.gz LMNBKIYMFXOZMY-DVOMOZLQSA-N 2 0 328.403 1.567 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000529354012 448838345 /nfs/dbraw/zinc/83/83/45/448838345.db2.gz ROOREOJULAUWQC-CVEARBPZSA-N 2 0 336.480 1.025 20 0 EDADRP COc1ccc([C@H](C)NC(=O)N2CCN(C)C[C@H]2C[NH3+])c(OC)c1 ZINC000529365665 448842273 /nfs/dbraw/zinc/84/22/73/448842273.db2.gz GZUMIZQAJSUXAJ-QWHCGFSZSA-N 2 0 336.436 1.049 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC000519831918 448855920 /nfs/dbraw/zinc/85/59/20/448855920.db2.gz DHMKVSFTDIUXFL-KRWDZBQOSA-N 2 0 336.524 1.345 20 0 EDADRP C[N@@H+](Cc1ccc2c(c1)OCCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000568368406 448861159 /nfs/dbraw/zinc/86/11/59/448861159.db2.gz BCUXXAXCLATCGK-HNNXBMFYSA-N 2 0 333.432 1.087 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)NCC(C)(C)[NH+]3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000574393050 448862945 /nfs/dbraw/zinc/86/29/45/448862945.db2.gz OAONZCFWRWQYQY-JKSUJKDBSA-N 2 0 348.495 1.121 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cc2)CC1 ZINC000579823840 448885240 /nfs/dbraw/zinc/88/52/40/448885240.db2.gz IKBYXDLQBRMZMS-INIZCTEOSA-N 2 0 345.409 1.837 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn4c3[C@@H](C[NH3+])CCC4)CC[C@H]21 ZINC000592564091 448902326 /nfs/dbraw/zinc/90/23/26/448902326.db2.gz FJDSSEQUGFBDNX-IIAWOOMASA-N 2 0 331.464 1.276 20 0 EDADRP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000579838488 448891917 /nfs/dbraw/zinc/89/19/17/448891917.db2.gz YWIOHUGWKFGLRT-RUENVJTFSA-N 2 0 329.444 1.144 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCCCC[NH2+]3)cc2)CC1 ZINC000579838192 448891989 /nfs/dbraw/zinc/89/19/89/448891989.db2.gz MCTVZCAKIOAAJK-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000569223028 448982896 /nfs/dbraw/zinc/98/28/96/448982896.db2.gz RIBDZOCLPXSMBA-JKSUJKDBSA-N 2 0 344.286 1.789 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000521007241 448945755 /nfs/dbraw/zinc/94/57/55/448945755.db2.gz QPKZXDNQIJAFMH-CALCHBBNSA-N 2 0 339.528 1.186 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000529913240 449002792 /nfs/dbraw/zinc/00/27/92/449002792.db2.gz IRQPITCDIVLGDO-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000575309244 449073171 /nfs/dbraw/zinc/07/31/71/449073171.db2.gz KPHJGGMMFLQWDG-QGZVFWFLSA-N 2 0 346.475 1.208 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592955562 449075784 /nfs/dbraw/zinc/07/57/84/449075784.db2.gz AANMNVIMVYXULK-HZPDHXFCSA-N 2 0 347.507 1.961 20 0 EDADRP CN1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C[NH3+])C1 ZINC000582230394 449042221 /nfs/dbraw/zinc/04/22/21/449042221.db2.gz MGZLCHDYRHTWLG-ROUUACIJSA-N 3 0 345.491 1.108 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3[nH]nc4ccccc43)ccn2)CC1 ZINC000589641251 449043354 /nfs/dbraw/zinc/04/33/54/449043354.db2.gz AKXPFFNIVZKIPB-UHFFFAOYSA-N 2 0 336.443 2.000 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000575179744 449055795 /nfs/dbraw/zinc/05/57/95/449055795.db2.gz MHCHZKYCEQBILA-UHFFFAOYSA-N 2 0 334.468 1.184 20 0 EDADRP COc1cccc(C[N@H+](CCN2CC[NH2+]CC2)C[C@H]2CCCO2)c1 ZINC000569605306 449056422 /nfs/dbraw/zinc/05/64/22/449056422.db2.gz KQDLJEWLAJHUHV-LJQANCHMSA-N 2 0 333.476 1.581 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592961614 449085398 /nfs/dbraw/zinc/08/53/98/449085398.db2.gz PVQWKSGMSXAUOI-JKSUJKDBSA-N 2 0 345.491 1.523 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C(C)(C)C ZINC000592965399 449089653 /nfs/dbraw/zinc/08/96/53/449089653.db2.gz QOXGMLGEPOCVPJ-ZFWWWQNUSA-N 2 0 335.496 1.815 20 0 EDADRP CN1CCN(C(=O)CCN(CC(=O)OC(C)(C)C)CC2CC2)CC1 ZINC000593070198 449121865 /nfs/dbraw/zinc/12/18/65/449121865.db2.gz GVYRZGYYNSCAIP-UHFFFAOYSA-N 2 0 339.480 1.204 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1)NC(=O)NC1CCCC1 ZINC000595900616 449241185 /nfs/dbraw/zinc/24/11/85/449241185.db2.gz IKHKQTSFDRCOBR-HNNXBMFYSA-N 2 0 336.480 1.466 20 0 EDADRP O=C(C[N@H+]1CCc2ccc(O)cc2CC1)NC1CC[NH+](C2CC2)CC1 ZINC000590785590 449293621 /nfs/dbraw/zinc/29/36/21/449293621.db2.gz YCQXRSIXGCQAEH-UHFFFAOYSA-N 2 0 343.471 1.536 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(Cc2cn3cccc(C)c3n2)CC1 ZINC000590944102 449351952 /nfs/dbraw/zinc/35/19/52/449351952.db2.gz DLLVOXJROCIALU-UHFFFAOYSA-N 2 0 343.475 1.629 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H](C)[NH+](C)C ZINC000602081743 449329661 /nfs/dbraw/zinc/32/96/61/449329661.db2.gz AZMYFEJDRIIJEG-CABCVRRESA-N 2 0 327.469 1.203 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CC[N@@H+]3C(C)(C)C)n2)CC1 ZINC000617010387 449429321 /nfs/dbraw/zinc/42/93/21/449429321.db2.gz OHLBKYBWNJZROV-HNNXBMFYSA-N 2 0 345.491 1.436 20 0 EDADRP CC(C)(C)OC(=O)[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000600747511 449532178 /nfs/dbraw/zinc/53/21/78/449532178.db2.gz XXVFSXJNCTXJDV-HZPDHXFCSA-N 2 0 326.481 1.791 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602466616 449612221 /nfs/dbraw/zinc/61/22/21/449612221.db2.gz JPKWXFGUPLJYDF-JLCFBVMHSA-N 2 0 331.526 1.114 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602466239 449612418 /nfs/dbraw/zinc/61/24/18/449612418.db2.gz BHMWGEYGBJHYLT-IQMFZBJNSA-N 2 0 343.537 1.115 20 0 EDADRP C[N@H+](CCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602467950 449614204 /nfs/dbraw/zinc/61/42/04/449614204.db2.gz LNBBYFHTKJHJBZ-QHCPKHFHSA-N 2 0 343.537 1.258 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602469260 449615646 /nfs/dbraw/zinc/61/56/46/449615646.db2.gz SHEHKLXMUUFHOR-WNSKOXEYSA-N 2 0 343.537 1.258 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602473554 449619532 /nfs/dbraw/zinc/61/95/32/449619532.db2.gz ONNVTVYTOGSEFZ-QHCPKHFHSA-N 2 0 343.537 1.066 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc2)CC1 ZINC000617752727 449816495 /nfs/dbraw/zinc/81/64/95/449816495.db2.gz SYNVOCRAJPADPR-INIZCTEOSA-N 2 0 332.492 1.899 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000617767269 449831223 /nfs/dbraw/zinc/83/12/23/449831223.db2.gz MZWLICYXVPHESQ-IBGZPJMESA-N 2 0 346.519 1.651 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000602775020 449798462 /nfs/dbraw/zinc/79/84/62/449798462.db2.gz DBLPFLQHXCBEKR-LJQANCHMSA-N 2 0 329.488 1.971 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612929494 449943428 /nfs/dbraw/zinc/94/34/28/449943428.db2.gz GZIVOQSOEYOJMB-LNLFQRSKSA-N 2 0 346.475 1.582 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000608709078 449917010 /nfs/dbraw/zinc/91/70/10/449917010.db2.gz KKUVOFSVFIEFMJ-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@]1(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000612879966 449924173 /nfs/dbraw/zinc/92/41/73/449924173.db2.gz HIOLFCIAESXNPO-LJQANCHMSA-N 2 0 346.475 1.712 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000612964137 449960487 /nfs/dbraw/zinc/96/04/87/449960487.db2.gz QLYJFGURMHBAPJ-KRWDZBQOSA-N 2 0 343.475 1.487 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612980528 449969180 /nfs/dbraw/zinc/96/91/80/449969180.db2.gz SKQNXWLAWXXMAH-QGZVFWFLSA-N 2 0 343.475 1.739 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NC(=O)NC1CCCC1 ZINC000603110578 450073766 /nfs/dbraw/zinc/07/37/66/450073766.db2.gz MATOYQFZWFJRAP-UHFFFAOYSA-N 2 0 338.496 1.953 20 0 EDADRP COC(=O)CCN1CC[C@H](N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000595388865 450102848 /nfs/dbraw/zinc/10/28/48/450102848.db2.gz XVJINQQRQNTUJF-UAGQMJEPSA-N 2 0 349.475 1.099 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000618549530 450239532 /nfs/dbraw/zinc/23/95/32/450239532.db2.gz AYXQTODVPJWDPZ-QLFBSQMISA-N 2 0 326.485 1.268 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000613660326 450263260 /nfs/dbraw/zinc/26/32/60/450263260.db2.gz IEGJWIVGLATONG-LMMKCTJWSA-N 2 0 331.460 1.222 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000613660328 450263613 /nfs/dbraw/zinc/26/36/13/450263613.db2.gz IEGJWIVGLATONG-ZHALLVOQSA-N 2 0 331.460 1.222 20 0 EDADRP CCC[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC000616781502 450483409 /nfs/dbraw/zinc/48/34/09/450483409.db2.gz MTANZERPULUVLF-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000620478873 450498365 /nfs/dbraw/zinc/49/83/65/450498365.db2.gz JISYPHKMMWZYKD-RBUKOAKNSA-N 2 0 345.487 1.737 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353921 450504534 /nfs/dbraw/zinc/50/45/34/450504534.db2.gz BWFUTQAVHWZXGF-QGZVFWFLSA-N 2 0 346.523 1.451 20 0 EDADRP C[NH+]1CCN(c2ncccc2CN[C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623379535 450509800 /nfs/dbraw/zinc/50/98/00/450509800.db2.gz WTNXTJQSFZSPEU-QGZVFWFLSA-N 2 0 331.508 1.796 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCC1 ZINC000623572070 450545278 /nfs/dbraw/zinc/54/52/78/450545278.db2.gz PTPLMAWJNFDPCO-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000625976036 450546903 /nfs/dbraw/zinc/54/69/03/450546903.db2.gz LTYFWNSQXRIYPR-IHRRBPCASA-N 2 0 333.476 1.807 20 0 EDADRP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623617071 450552208 /nfs/dbraw/zinc/55/22/08/450552208.db2.gz WGXADQFPHBYBSP-YJBOKZPZSA-N 2 0 325.497 1.065 20 0 EDADRP Cc1cn2c(n1)C[C@H](C(=O)N1CCN(c3cc(C)ccn3)CC1)CC2 ZINC000626165293 450595487 /nfs/dbraw/zinc/59/54/87/450595487.db2.gz MRXPDYMEWJZTLN-MRXNPFEDSA-N 2 0 339.443 1.806 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000633040683 450638551 /nfs/dbraw/zinc/63/85/51/450638551.db2.gz RJOAHKOMVRKICB-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C[NH2+]1 ZINC000627300692 450631960 /nfs/dbraw/zinc/63/19/60/450631960.db2.gz JQTHOMIIIKNVKE-GJZGRUSLSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631677103 450708725 /nfs/dbraw/zinc/70/87/25/450708725.db2.gz PMESQVUHICZNPG-MRXNPFEDSA-N 2 0 331.526 1.656 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114956 450710854 /nfs/dbraw/zinc/71/08/54/450710854.db2.gz KOJYKKSDQDWUBA-OAHLLOKOSA-N 2 0 343.479 1.556 20 0 EDADRP Cn1c2cc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2oc1=O ZINC000629550474 450731037 /nfs/dbraw/zinc/73/10/37/450731037.db2.gz YSVPRSGNLHPBDM-RBSFLKMASA-N 2 0 331.416 1.378 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000629570026 450740633 /nfs/dbraw/zinc/74/06/33/450740633.db2.gz SQIUFRJZMUJCJS-GJZGRUSLSA-N 2 0 339.505 1.968 20 0 EDADRP CC(C)C[C@@H](C)N(C)C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590795 450752449 /nfs/dbraw/zinc/75/24/49/450752449.db2.gz OZCAXOPFYFQHLA-SJLPKXTDSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357150 450806953 /nfs/dbraw/zinc/80/69/53/450806953.db2.gz HKXADMBZDCZOFT-SFHVURJKSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000621642527 450807726 /nfs/dbraw/zinc/80/77/26/450807726.db2.gz POTTVZTZDYDQAG-BRWVUGGUSA-N 2 0 325.497 1.772 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](C[C@H]2CCCCO2)C1 ZINC000631830097 450802073 /nfs/dbraw/zinc/80/20/73/450802073.db2.gz JLKNJBBLCKLXAR-HZPDHXFCSA-N 2 0 333.480 1.568 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635325345 450850112 /nfs/dbraw/zinc/85/01/12/450850112.db2.gz MVPVYSHXWGNPNN-QGZVFWFLSA-N 2 0 339.524 1.973 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000629912221 450879030 /nfs/dbraw/zinc/87/90/30/450879030.db2.gz BKWGKEMEPKMFPF-SFHVURJKSA-N 2 0 331.460 1.081 20 0 EDADRP COCC[NH+](CCOC)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000629991852 450938994 /nfs/dbraw/zinc/93/89/94/450938994.db2.gz IWNMYZOPKNYCKC-UHFFFAOYSA-N 2 0 341.496 1.057 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635415059 450922086 /nfs/dbraw/zinc/92/20/86/450922086.db2.gz GVOCLSFMSXZXEZ-BRWVUGGUSA-N 2 0 339.524 1.827 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)C1CCC1 ZINC000629974709 450928786 /nfs/dbraw/zinc/92/87/86/450928786.db2.gz KZPLWQILOFVCPU-PKOBYXMFSA-N 2 0 345.487 1.470 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000635454183 450955073 /nfs/dbraw/zinc/95/50/73/450955073.db2.gz UMWDIXTTXFZRQZ-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000626864067 450967484 /nfs/dbraw/zinc/96/74/84/450967484.db2.gz VHUAUHJNJWEAFX-JKSUJKDBSA-N 2 0 332.448 1.252 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635505019 450999551 /nfs/dbraw/zinc/99/95/51/450999551.db2.gz GOQSYISYABSLCZ-KRWDZBQOSA-N 2 0 335.492 1.765 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000626921227 451005261 /nfs/dbraw/zinc/00/52/61/451005261.db2.gz UZRBZFOBULUMKB-JKSUJKDBSA-N 2 0 338.496 1.461 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2(C[NH3+])CCOCC2)CCCCCC1 ZINC000626924301 451007424 /nfs/dbraw/zinc/00/74/24/451007424.db2.gz NNGQMVRNNQLZDN-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1 ZINC000626933992 451016902 /nfs/dbraw/zinc/01/69/02/451016902.db2.gz RKVXASLOFVSNFW-KRWDZBQOSA-N 2 0 334.464 1.359 20 0 EDADRP CC[C@@H](CNC(=O)NCCOCC[NH2+]C)[N@@H+]1CCc2ccccc2C1 ZINC000626934631 451017617 /nfs/dbraw/zinc/01/76/17/451017617.db2.gz KLLDCSMEKIZLGJ-SFHVURJKSA-N 2 0 348.491 1.359 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)cc1 ZINC000635527934 451024503 /nfs/dbraw/zinc/02/45/03/451024503.db2.gz XWVXGGSCNOVEBQ-ZVZYQTTQSA-N 2 0 346.475 1.963 20 0 EDADRP C[NH+](C)CCN(C1CCCC1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632096817 451033258 /nfs/dbraw/zinc/03/32/58/451033258.db2.gz IAOVWTJIOVYVMA-UHFFFAOYSA-N 2 0 331.526 1.608 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635539700 451035681 /nfs/dbraw/zinc/03/56/81/451035681.db2.gz SGUCSUQCYGNJEJ-UHFFFAOYSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626999404 451064319 /nfs/dbraw/zinc/06/43/19/451064319.db2.gz ZCTCOKJEFNWVLX-OXHZDVMGSA-N 2 0 348.413 1.638 20 0 EDADRP C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011833 451075359 /nfs/dbraw/zinc/07/53/59/451075359.db2.gz KZOCUBNZTXMIJT-CABCVRRESA-N 2 0 338.496 1.447 20 0 EDADRP C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000627034156 451092653 /nfs/dbraw/zinc/09/26/53/451092653.db2.gz YZTFRYVOJZTOAH-HOCLYGCPSA-N 2 0 334.464 1.485 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CCO1 ZINC000622185599 451094027 /nfs/dbraw/zinc/09/40/27/451094027.db2.gz JCNPWVPCYDGKLA-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccco1 ZINC000627035546 451094426 /nfs/dbraw/zinc/09/44/26/451094426.db2.gz VFERIWOBXPKIGP-KBPBESRZSA-N 2 0 338.452 1.516 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000626978430 451047627 /nfs/dbraw/zinc/04/76/27/451047627.db2.gz CUWPFWSFEQHZIX-KRWDZBQOSA-N 2 0 346.475 1.458 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccnc2ccnn21 ZINC000625025197 451117475 /nfs/dbraw/zinc/11/74/75/451117475.db2.gz NGYWFYZXJILTQD-OAHLLOKOSA-N 2 0 344.463 1.217 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627113974 451130534 /nfs/dbraw/zinc/13/05/34/451130534.db2.gz RQTLQVNHROAGKO-YYIAUSFCSA-N 2 0 334.439 1.711 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCOCC2)CC1 ZINC000628124454 451147649 /nfs/dbraw/zinc/14/76/49/451147649.db2.gz IIGNYDKAPBJXRX-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000627166367 451160150 /nfs/dbraw/zinc/16/01/50/451160150.db2.gz CRGKCWKQGWPILA-YESZJQIVSA-N 3 0 339.528 1.184 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1ccccc1NC(=O)[C@@H](C)[NH+](C)C ZINC000635743588 451213427 /nfs/dbraw/zinc/21/34/27/451213427.db2.gz JNRXVCBJAPNXRJ-MGPQQGTHSA-N 2 0 334.464 1.703 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000638082293 451246608 /nfs/dbraw/zinc/24/66/08/451246608.db2.gz GUULBUPPUSMGGJ-MPGHIAIKSA-N 2 0 333.476 1.802 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000638084449 451248405 /nfs/dbraw/zinc/24/84/05/451248405.db2.gz OVVQVORXMLOQOU-FUHWJXTLSA-N 2 0 331.460 1.652 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)C1 ZINC000630590088 451266622 /nfs/dbraw/zinc/26/66/22/451266622.db2.gz SVGVREUOQIEFCN-DOTOQJQBSA-N 2 0 337.468 1.061 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101020 451266815 /nfs/dbraw/zinc/26/68/15/451266815.db2.gz MEOLZSJJARKEMC-QZTJIDSGSA-N 2 0 332.492 1.436 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nsc2ccccc21 ZINC000640338259 451270188 /nfs/dbraw/zinc/27/01/88/451270188.db2.gz AGSBAGCXSJAMKA-UHFFFAOYSA-N 2 0 335.477 2.253 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124304 451293840 /nfs/dbraw/zinc/29/38/40/451293840.db2.gz RXRYMPVHCZFNQH-NXHRZFHOSA-N 2 0 332.492 1.387 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000638125550 451295885 /nfs/dbraw/zinc/29/58/85/451295885.db2.gz FFBWOWRWJHHZLJ-SJLPKXTDSA-N 2 0 333.476 1.898 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127092 451296544 /nfs/dbraw/zinc/29/65/44/451296544.db2.gz UNHBQLYZIQOGMF-AZUAARDMSA-N 2 0 345.487 1.878 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638131948 451304364 /nfs/dbraw/zinc/30/43/64/451304364.db2.gz SMOGYPKHUKDMPJ-ZWKOTPCHSA-N 2 0 332.492 1.246 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638136991 451309900 /nfs/dbraw/zinc/30/99/00/451309900.db2.gz DMHQIXDMVXIBGV-ZWKOTPCHSA-N 2 0 328.460 1.139 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638137581 451310152 /nfs/dbraw/zinc/31/01/52/451310152.db2.gz LVDNVWLXWPDLAS-QGZVFWFLSA-N 2 0 332.492 1.703 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638137580 451311084 /nfs/dbraw/zinc/31/10/84/451311084.db2.gz LVDNVWLXWPDLAS-KRWDZBQOSA-N 2 0 332.492 1.703 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142491 451317109 /nfs/dbraw/zinc/31/71/09/451317109.db2.gz CHWNXTOEOIRNRK-GBESFXJTSA-N 2 0 344.503 1.436 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638170594 451335241 /nfs/dbraw/zinc/33/52/41/451335241.db2.gz LWSCSRQWMPNHOY-QFBILLFUSA-N 2 0 341.455 1.907 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1C ZINC000635839274 451288701 /nfs/dbraw/zinc/28/87/01/451288701.db2.gz DXVYJABPRQWUIV-ICSRJNTNSA-N 2 0 345.487 1.566 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000638246228 451378736 /nfs/dbraw/zinc/37/87/36/451378736.db2.gz CDCXBUJQSQULQS-KRWDZBQOSA-N 2 0 330.476 1.048 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COC1CCOCC1 ZINC000640533498 451384118 /nfs/dbraw/zinc/38/41/18/451384118.db2.gz SVHQXIWXAYMCFE-KRWDZBQOSA-N 2 0 328.497 1.741 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000638260527 451385298 /nfs/dbraw/zinc/38/52/98/451385298.db2.gz USNADGJUHRBIQI-QUCCMNQESA-N 2 0 345.487 1.516 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269513 451388570 /nfs/dbraw/zinc/38/85/70/451388570.db2.gz PUVWHQXHFANQGI-OCCSQVGLSA-N 2 0 345.447 1.161 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC2CC2)c1 ZINC000630879138 451457271 /nfs/dbraw/zinc/45/72/71/451457271.db2.gz HDPCLLZJZXCQNP-GOSISDBHSA-N 2 0 347.507 1.781 20 0 EDADRP O[C@@]1(CNC[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700876 451475066 /nfs/dbraw/zinc/47/50/66/451475066.db2.gz GUAIZHDAEDQBPE-UYAOXDASSA-N 2 0 329.488 1.697 20 0 EDADRP Cc1c(C[NH3+])c(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000638401363 451489497 /nfs/dbraw/zinc/48/94/97/451489497.db2.gz CFSVVQLWTXJACS-OAHLLOKOSA-N 2 0 327.432 1.648 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000638338425 451442561 /nfs/dbraw/zinc/44/25/61/451442561.db2.gz ASXJNFQPSCWQPP-UHFFFAOYSA-N 2 0 346.475 1.251 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2 ZINC000638427612 451510595 /nfs/dbraw/zinc/51/05/95/451510595.db2.gz VXPGWSQWPXZJHS-HUUCEWRRSA-N 2 0 333.432 1.420 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[C@H]1F ZINC000638431713 451510962 /nfs/dbraw/zinc/51/09/62/451510962.db2.gz TXMHJIJCMKCQPA-IAGOWNOFSA-N 2 0 348.466 1.268 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000638471314 451531813 /nfs/dbraw/zinc/53/18/13/451531813.db2.gz BYKMUDXLGVRILX-UHFFFAOYSA-N 2 0 337.430 1.838 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000638526748 451558607 /nfs/dbraw/zinc/55/86/07/451558607.db2.gz PANSLIUAYGMVOV-XJKSGUPXSA-N 2 0 334.464 1.536 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])cc1 ZINC000638527771 451559762 /nfs/dbraw/zinc/55/97/62/451559762.db2.gz YBUCKTUZRSQIER-LPHOPBHVSA-N 2 0 346.475 1.824 20 0 EDADRP COc1ccccc1N1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000631078584 451570888 /nfs/dbraw/zinc/57/08/88/451570888.db2.gz VBWIJAQMXNCBEG-UHFFFAOYSA-N 2 0 333.476 1.710 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc4nccnc4c3)C2)CC1 ZINC000634960909 451624892 /nfs/dbraw/zinc/62/48/92/451624892.db2.gz FYUHLXOXMZGGEQ-MRXNPFEDSA-N 2 0 325.460 1.888 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC000638644645 451628062 /nfs/dbraw/zinc/62/80/62/451628062.db2.gz RKJSOEOQAVMGQP-DGFSRKRXSA-N 2 0 340.265 1.880 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664733 451639890 /nfs/dbraw/zinc/63/98/90/451639890.db2.gz URCAQFUHVKHKJX-ZIAGYGMSSA-N 2 0 346.258 1.701 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000637015619 451681378 /nfs/dbraw/zinc/68/13/78/451681378.db2.gz SNWBDTMVTYPVMO-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1cc(C2CC[NH2+]CC2)no1)Cc1ccccc1 ZINC000638879570 451717475 /nfs/dbraw/zinc/71/74/75/451717475.db2.gz HTGLFPGGPBCCDA-MRXNPFEDSA-N 2 0 342.443 1.832 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782778 451689551 /nfs/dbraw/zinc/68/95/51/451689551.db2.gz BMDOWCXINCIEMQ-MSOLQXFVSA-N 2 0 331.460 1.694 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638834304 451705809 /nfs/dbraw/zinc/70/58/09/451705809.db2.gz DZPPVOAKDSOVIN-FUHWJXTLSA-N 2 0 345.487 1.639 20 0 EDADRP CC(C)(C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000638836754 451706040 /nfs/dbraw/zinc/70/60/40/451706040.db2.gz JUNSCUOEOCZMDW-UHFFFAOYSA-N 2 0 332.492 1.998 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000638861796 451713698 /nfs/dbraw/zinc/71/36/98/451713698.db2.gz GERZWZCCGJWARS-HNNXBMFYSA-N 2 0 345.491 1.967 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCCCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000632961216 451670037 /nfs/dbraw/zinc/67/00/37/451670037.db2.gz PJHSMBZYEJPUKX-CQSZACIVSA-N 2 0 334.468 1.885 20 0 EDADRP C[C@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000632960965 451670678 /nfs/dbraw/zinc/67/06/78/451670678.db2.gz LQWRXYICZBLXTL-UONOGXRCSA-N 2 0 334.468 1.598 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC000638983577 451745713 /nfs/dbraw/zinc/74/57/13/451745713.db2.gz CGIIJNZMHJJPQE-KRWDZBQOSA-N 2 0 325.416 1.438 20 0 EDADRP CCC(=O)N1CCC[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000638988438 451748173 /nfs/dbraw/zinc/74/81/73/451748173.db2.gz YISNUCHAVNLVOM-AWEZNQCLSA-N 2 0 345.447 1.078 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH2+]C[C@@H]3CCCO3)C2)cc1 ZINC000639006568 451751788 /nfs/dbraw/zinc/75/17/88/451751788.db2.gz WYVZPLYIJVIHPA-MSOLQXFVSA-N 2 0 331.460 1.454 20 0 EDADRP CCC[C@H]([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230746 451791985 /nfs/dbraw/zinc/79/19/85/451791985.db2.gz STQODXUCQSCKCN-WMZOPIPTSA-N 2 0 329.448 1.715 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637372221 451803741 /nfs/dbraw/zinc/80/37/41/451803741.db2.gz JUSJZMWLZLGBCY-WBVHZDCISA-N 2 0 326.485 1.005 20 0 EDADRP CN([C@@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641326853 451850082 /nfs/dbraw/zinc/85/00/82/451850082.db2.gz HPNODNRZSOKYOQ-MRXNPFEDSA-N 2 0 349.500 1.532 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC(=O)Nc3cccnc3)C2)CC1 ZINC000644562019 451862983 /nfs/dbraw/zinc/86/29/83/451862983.db2.gz OHRHYWGGUADWHB-MRXNPFEDSA-N 2 0 331.464 1.168 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCO[C@@H]2C)CC1 ZINC000639452539 451874728 /nfs/dbraw/zinc/87/47/28/451874728.db2.gz DLZUMLTZZCWGDY-SJLPKXTDSA-N 2 0 339.524 1.972 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000642439984 451879396 /nfs/dbraw/zinc/87/93/96/451879396.db2.gz UOEBRCCEWYDDLJ-HOTGVXAUSA-N 2 0 338.496 1.001 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000646845244 451883395 /nfs/dbraw/zinc/88/33/95/451883395.db2.gz HLXLSAVBMFOTMB-MAUKXSAKSA-N 2 0 346.475 1.017 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC(C)([NH3+])CC1)CC(C)C ZINC000642531629 451887593 /nfs/dbraw/zinc/88/75/93/451887593.db2.gz LGQOQEGUPDMQAO-OAHLLOKOSA-N 2 0 340.512 1.199 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)[NH+]2CCCC2)c1 ZINC000649279277 451950781 /nfs/dbraw/zinc/95/07/81/451950781.db2.gz CNKXSXUVYWPSOL-BGTYHANMSA-N 2 0 329.444 1.699 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@@H](C)C[N@@H+]1CCO ZINC000642753712 451951520 /nfs/dbraw/zinc/95/15/20/451951520.db2.gz XYWADRCWCHXZLX-XNIRIUNOSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649281965 451954219 /nfs/dbraw/zinc/95/42/19/451954219.db2.gz YWEGRBZGDSEWDO-CYBMUJFWSA-N 2 0 341.406 1.723 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649287572 451961436 /nfs/dbraw/zinc/96/14/36/451961436.db2.gz QTFBEJSPPUUKNB-UHFFFAOYSA-N 2 0 331.460 1.408 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000649310919 451987452 /nfs/dbraw/zinc/98/74/52/451987452.db2.gz NSKQCSSASGEGAW-HXUWFJFHSA-N 2 0 344.503 1.712 20 0 EDADRP COC[C@]1(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000649321746 451999356 /nfs/dbraw/zinc/99/93/56/451999356.db2.gz ORJILUPTNIGDCJ-IBGZPJMESA-N 2 0 349.475 1.054 20 0 EDADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000649322232 452001579 /nfs/dbraw/zinc/00/15/79/452001579.db2.gz HUPKHZFKDFVLPV-KUHUBIRLSA-N 2 0 346.475 1.182 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000649328873 452009589 /nfs/dbraw/zinc/00/95/89/452009589.db2.gz OPQJHBHZOYKLGT-GOSISDBHSA-N 2 0 335.448 1.724 20 0 EDADRP O=c1cc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc2ccccn12 ZINC000639683421 452020646 /nfs/dbraw/zinc/02/06/46/452020646.db2.gz YRIPYQAREQMYFL-UHFFFAOYSA-N 2 0 335.411 1.802 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000649344165 452024099 /nfs/dbraw/zinc/02/40/99/452024099.db2.gz AXSBXWDUSRBQBC-DLBZAZTESA-N 2 0 337.508 1.760 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c(C)c2)CC1 ZINC000649348893 452031774 /nfs/dbraw/zinc/03/17/74/452031774.db2.gz CUNMEFZOVLLLIR-VQFNDLOPSA-N 2 0 328.460 1.541 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000647056314 452033365 /nfs/dbraw/zinc/03/33/65/452033365.db2.gz ZVHUKGNVJKAEJZ-IRXDYDNUSA-N 2 0 328.460 1.552 20 0 EDADRP CC[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[C@@H]1[NH3+] ZINC000649359392 452040051 /nfs/dbraw/zinc/04/00/51/452040051.db2.gz WMMAZDRECFPSEX-IRXDYDNUSA-N 2 0 345.491 1.180 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417986 452080063 /nfs/dbraw/zinc/08/00/63/452080063.db2.gz SZZPVPDOHLHLBZ-IAGOWNOFSA-N 3 0 336.524 1.299 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637805186 452092212 /nfs/dbraw/zinc/09/22/12/452092212.db2.gz KNTSHJAPQXSMSX-GGPKGHCWSA-N 2 0 343.471 1.393 20 0 EDADRP CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000637812211 452094862 /nfs/dbraw/zinc/09/48/62/452094862.db2.gz YAMZOWGNYHPTMQ-UHFFFAOYSA-N 2 0 344.503 1.580 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000637867864 452124996 /nfs/dbraw/zinc/12/49/96/452124996.db2.gz XCRWFADKIORXBO-MRXNPFEDSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000641623177 452142996 /nfs/dbraw/zinc/14/29/96/452142996.db2.gz GANWIQPRIZYHJW-DLBZAZTESA-N 2 0 345.553 1.854 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645108433 452154761 /nfs/dbraw/zinc/15/47/61/452154761.db2.gz XWTCIWAWDPLRJZ-OIISXLGYSA-N 2 0 331.464 1.412 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645222318 452219093 /nfs/dbraw/zinc/21/90/93/452219093.db2.gz XBPHWYKRSFNWHC-QGZVFWFLSA-N 2 0 340.431 1.165 20 0 EDADRP Cc1ncc([C@@H](C)[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000637982038 452227456 /nfs/dbraw/zinc/22/74/56/452227456.db2.gz OUWDNWNCUFWQFF-CQSZACIVSA-N 2 0 333.480 1.544 20 0 EDADRP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493469 452237139 /nfs/dbraw/zinc/23/71/39/452237139.db2.gz UVKSEDTUSLURMX-UHFFFAOYSA-N 2 0 345.466 1.965 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c2ccccc2O1 ZINC000655451765 452246793 /nfs/dbraw/zinc/24/67/93/452246793.db2.gz WEOYZSBSERQORR-VCBZYWHSSA-N 2 0 329.444 1.732 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000643490297 452259142 /nfs/dbraw/zinc/25/91/42/452259142.db2.gz PDAODKOCONSTIJ-UHFFFAOYSA-N 2 0 340.512 1.153 20 0 EDADRP CN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C[NH3+])C1 ZINC000647539360 452272197 /nfs/dbraw/zinc/27/21/97/452272197.db2.gz WKLQSIAMPNHEPD-SFHVURJKSA-N 2 0 332.492 1.236 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](Cc2ccc(C(=O)NC3CC3)cc2)CC12CCOCC2 ZINC000647545215 452275236 /nfs/dbraw/zinc/27/52/36/452275236.db2.gz TURJCURIWTUPRQ-KRWDZBQOSA-N 2 0 343.471 1.766 20 0 EDADRP CC1(C)[C@H](NCC(=O)Nc2ccc(CN3CCOCC3)cc2)C[C@@H]1[NH3+] ZINC000641803832 452280635 /nfs/dbraw/zinc/28/06/35/452280635.db2.gz VDPUCMXKEKBMHE-DLBZAZTESA-N 2 0 346.475 1.173 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659435833 452284091 /nfs/dbraw/zinc/28/40/91/452284091.db2.gz FZYBAUHREBQCGG-KFKAGJAMSA-N 2 0 342.487 1.916 20 0 EDADRP C[C@H]([NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C(C)(C)n1cncn1 ZINC000638035311 452290599 /nfs/dbraw/zinc/29/05/99/452290599.db2.gz RPWMNYCLARLTRR-IRXDYDNUSA-N 2 0 334.512 1.504 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1CCCc2cccnc21)N1CC[NH2+]CC1 ZINC000643530551 452293820 /nfs/dbraw/zinc/29/38/20/452293820.db2.gz KZBSXGWBXADJCP-KGLIPLIRSA-N 2 0 328.382 1.885 20 0 EDADRP COCC1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[NH2+]CC1 ZINC000643531247 452296514 /nfs/dbraw/zinc/29/65/14/452296514.db2.gz DFADITZGSYYUPP-YLJYHZDGSA-N 3 0 345.487 1.848 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCC2)[C@H](C)C1 ZINC000659456664 452308420 /nfs/dbraw/zinc/30/84/20/452308420.db2.gz QCFJYSXSKSUTNC-HZPDHXFCSA-N 2 0 340.512 1.694 20 0 EDADRP COc1cccc([C@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000638051644 452322708 /nfs/dbraw/zinc/32/27/08/452322708.db2.gz NMVPKQKRBLCCJN-SFHVURJKSA-N 2 0 331.460 1.948 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000665758904 452327500 /nfs/dbraw/zinc/32/75/00/452327500.db2.gz SLSMDORFRWNNNB-YESZJQIVSA-N 2 0 341.544 1.383 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)c1 ZINC000663601065 452327667 /nfs/dbraw/zinc/32/76/67/452327667.db2.gz XEGPTLZZBCHTDZ-ROUUACIJSA-N 2 0 348.491 1.345 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CCCC1 ZINC000659471395 452328876 /nfs/dbraw/zinc/32/88/76/452328876.db2.gz PUWKIIHIKLLKER-JKSUJKDBSA-N 2 0 338.496 1.325 20 0 EDADRP CO[C@@H]1C[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)[C@@](C)(CO)C1 ZINC000640002293 452335344 /nfs/dbraw/zinc/33/53/44/452335344.db2.gz XLKKLKFNZNFPKM-SLFFLAALSA-N 2 0 348.487 1.749 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659478264 452336979 /nfs/dbraw/zinc/33/69/79/452336979.db2.gz CDCUQTCHHAUIQC-MRXNPFEDSA-N 2 0 334.464 1.132 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)cc2)C1 ZINC000657594436 452359434 /nfs/dbraw/zinc/35/94/34/452359434.db2.gz AJIBAIRGLHSCPH-VAMGGRTRSA-N 3 0 329.488 1.970 20 0 EDADRP CC[C@H](CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000638067912 452368929 /nfs/dbraw/zinc/36/89/29/452368929.db2.gz GUVYJPMZCHSDQO-GGPKGHCWSA-N 2 0 345.487 1.707 20 0 EDADRP CC[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000638069595 452374062 /nfs/dbraw/zinc/37/40/62/452374062.db2.gz RBSJDHCVKGGYCD-AZUAARDMSA-N 2 0 345.487 1.695 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638072081 452380505 /nfs/dbraw/zinc/38/05/05/452380505.db2.gz PNHQYKANQHPWDA-CQSZACIVSA-N 2 0 347.381 1.790 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659521187 452384515 /nfs/dbraw/zinc/38/45/15/452384515.db2.gz FLZYRXSXTIZDGN-XWTMOSNGSA-N 2 0 330.476 1.949 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638074938 452385845 /nfs/dbraw/zinc/38/58/45/452385845.db2.gz BUXBUPJZGQSYAU-QWRGUYRKSA-N 2 0 344.410 1.210 20 0 EDADRP CN(C(=O)c1cnc(C[NH3+])nc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638076193 452390050 /nfs/dbraw/zinc/39/00/50/452390050.db2.gz WMNGRGJKLYOSIQ-KRWDZBQOSA-N 2 0 339.443 1.672 20 0 EDADRP CCN(C(=O)CN1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000638080236 452396046 /nfs/dbraw/zinc/39/60/46/452396046.db2.gz SXRQMYWTJPIACC-HKUYNNGSSA-N 2 0 344.503 1.576 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535746 452396188 /nfs/dbraw/zinc/39/61/88/452396188.db2.gz KSDYEDBIFSGZBM-GOSISDBHSA-N 2 0 345.491 1.735 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)[C@@H]3CCCC[C@H]32)CC1 ZINC000640096658 452420605 /nfs/dbraw/zinc/42/06/05/452420605.db2.gz WORHTMBXENBWHG-KURKYZTESA-N 2 0 337.508 1.601 20 0 EDADRP C[C@H](CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)[NH+](C)C ZINC000663699449 452438030 /nfs/dbraw/zinc/43/80/30/452438030.db2.gz MMRMWAWTINXGET-OAHLLOKOSA-N 2 0 342.553 1.987 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[NH+]2CCC1CC2 ZINC000659583946 452439976 /nfs/dbraw/zinc/43/99/76/452439976.db2.gz SUSCNXDBWNVBME-ROUUACIJSA-N 2 0 346.450 1.761 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000645478885 452449736 /nfs/dbraw/zinc/44/97/36/452449736.db2.gz SYIAORZIIXBEDQ-SJLPKXTDSA-N 2 0 332.492 1.466 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2F)CC[N@@H+](C2CC2)C1 ZINC000652269983 452459415 /nfs/dbraw/zinc/45/94/15/452459415.db2.gz PPCJFNYBOMQYRW-CYBMUJFWSA-N 2 0 334.439 1.910 20 0 EDADRP CN1CCN(C(=O)NCCc2nsc3ccccc32)[C@H](C[NH3+])C1 ZINC000659611396 452468220 /nfs/dbraw/zinc/46/82/20/452468220.db2.gz LEBYTSNLLVFNRT-GFCCVEGCSA-N 2 0 333.461 1.123 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000640152045 452468721 /nfs/dbraw/zinc/46/87/21/452468721.db2.gz BHXQAIWHYUJYOR-CZUORRHYSA-N 2 0 325.403 1.979 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000659612168 452469040 /nfs/dbraw/zinc/46/90/40/452469040.db2.gz UGTCYTPYFSCFDW-AGYKMIKPSA-N 2 0 340.471 1.654 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313855 452488484 /nfs/dbraw/zinc/48/84/84/452488484.db2.gz LHEPVDTYQIWGIS-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657752847 452501597 /nfs/dbraw/zinc/50/15/97/452501597.db2.gz SOLGEHHKALEVED-LJQANCHMSA-N 2 0 341.459 1.919 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)c3ccc(C[NH3+])o3)cn2)CC1 ZINC000645533711 452504726 /nfs/dbraw/zinc/50/47/26/452504726.db2.gz ZHPXCGQBKQBPBK-UHFFFAOYSA-N 2 0 343.431 1.205 20 0 EDADRP CC(C)[C@@H](C[NH2+]C1CCN([C@H]2CCOC2)CC1)N1CC[NH+](C)CC1 ZINC000655687750 452509881 /nfs/dbraw/zinc/50/98/81/452509881.db2.gz YSCQFEPGGMMKTD-RBUKOAKNSA-N 2 0 338.540 1.101 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346919 452521753 /nfs/dbraw/zinc/52/17/53/452521753.db2.gz LJRYJSLRHVRYKW-MPTYRVRUSA-N 2 0 325.497 1.898 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)NC(=O)NC1=O ZINC000647789822 452521787 /nfs/dbraw/zinc/52/17/87/452521787.db2.gz MDEFCMUTWTXDHT-QHHYFVSCSA-N 2 0 342.443 1.219 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc[nH+]1 ZINC000647789027 452522089 /nfs/dbraw/zinc/52/20/89/452522089.db2.gz XABYZVZLBDLCLT-GBESFXJTSA-N 3 0 343.519 1.571 20 0 EDADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)N2CCOCC2)o1 ZINC000647788924 452522164 /nfs/dbraw/zinc/52/21/64/452522164.db2.gz VLPLCEKLJRFIHC-TVFCKZIOSA-N 2 0 333.476 1.939 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663831459 452558488 /nfs/dbraw/zinc/55/84/88/452558488.db2.gz UBYPHXDWTYBHNE-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654487536 452558856 /nfs/dbraw/zinc/55/88/56/452558856.db2.gz LRMRYTWWAPBGNP-NXOAAHMSSA-N 2 0 340.512 1.658 20 0 EDADRP CC(C)([NH3+])CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000645593206 452574437 /nfs/dbraw/zinc/57/44/37/452574437.db2.gz SHLXONREMCNYCI-UHFFFAOYSA-N 2 0 346.519 1.828 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000666116983 452606364 /nfs/dbraw/zinc/60/63/64/452606364.db2.gz HCGDNBVLWSEQNV-SFHVURJKSA-N 2 0 349.519 1.561 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000647908805 452649503 /nfs/dbraw/zinc/64/95/03/452649503.db2.gz LEPKUSAMNJVUEK-UHFFFAOYSA-N 2 0 349.475 1.709 20 0 EDADRP CCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663938027 452659607 /nfs/dbraw/zinc/65/96/07/452659607.db2.gz VTRPCVCFOUIMOI-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655917286 452680015 /nfs/dbraw/zinc/68/00/15/452680015.db2.gz OSYYMTALERHULA-LLVKDONJSA-N 2 0 340.390 1.065 20 0 EDADRP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000655924833 452691986 /nfs/dbraw/zinc/69/19/86/452691986.db2.gz RBLBEMVTWZNYLH-UHTWSYAYSA-N 2 0 332.370 1.867 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)n2)CC1 ZINC000655927918 452696381 /nfs/dbraw/zinc/69/63/81/452696381.db2.gz KRXBBOMIDBOGSD-JTQLQIEISA-N 2 0 334.346 1.161 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655931155 452699757 /nfs/dbraw/zinc/69/97/57/452699757.db2.gz WQBMHEWNMQXLRB-ZDUSSCGKSA-N 2 0 330.354 1.402 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000666238975 452707908 /nfs/dbraw/zinc/70/79/08/452707908.db2.gz LPRAFIMALYSMCO-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CCOC(C)C)CC2)C1 ZINC000661954668 452715376 /nfs/dbraw/zinc/71/53/76/452715376.db2.gz YIAKRQFIHQNGPB-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000658108787 452727754 /nfs/dbraw/zinc/72/77/54/452727754.db2.gz SFOCSLWECNBADR-GJZGRUSLSA-N 2 0 348.491 1.940 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000647993725 452735678 /nfs/dbraw/zinc/73/56/78/452735678.db2.gz MEHCEYHPPPNHIX-ROUUACIJSA-N 2 0 348.491 1.345 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC(C)C ZINC000647994347 452736139 /nfs/dbraw/zinc/73/61/39/452736139.db2.gz ZJLWFZUOEBQFMH-JYJNAYRXSA-N 2 0 328.501 1.059 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655958755 452738794 /nfs/dbraw/zinc/73/87/94/452738794.db2.gz OPFWBZFGXITVKT-HOTGVXAUSA-N 2 0 330.432 1.217 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000655971262 452755013 /nfs/dbraw/zinc/75/50/13/452755013.db2.gz YHKUASHWRVXOJS-SMLCLMEVSA-N 2 0 338.496 1.255 20 0 EDADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H]2CNc3ccnn3C2)[C@H](c2ccccc2)C1 ZINC000648068405 452798613 /nfs/dbraw/zinc/79/86/13/452798613.db2.gz WQDLZKVMOJIXRV-NXHRZFHOSA-N 2 0 325.460 1.860 20 0 EDADRP CC(C)[C@@H]([NH3+])CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000648118585 452835046 /nfs/dbraw/zinc/83/50/46/452835046.db2.gz SPQNOQNVXRPTEL-GJZGRUSLSA-N 2 0 333.480 1.264 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652686548 452835677 /nfs/dbraw/zinc/83/56/77/452835677.db2.gz JPJMPPMJKAZWTG-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP COC1(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC[NH2+]CC1 ZINC000648165578 452875410 /nfs/dbraw/zinc/87/54/10/452875410.db2.gz OULSJCPLOYKUCC-OAHLLOKOSA-N 2 0 346.475 1.492 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)COC2(C)C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000648168006 452877314 /nfs/dbraw/zinc/87/73/14/452877314.db2.gz MVEOJCJONPWTIW-FUHWJXTLSA-N 2 0 345.487 1.782 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC000656127000 452881764 /nfs/dbraw/zinc/88/17/64/452881764.db2.gz HBVGPSSHIOCQRP-DDTOSNHZSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000645903484 452888665 /nfs/dbraw/zinc/88/86/65/452888665.db2.gz GCPBOXKBRVGVLW-SJLPKXTDSA-N 2 0 330.476 1.091 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000656197421 452955821 /nfs/dbraw/zinc/95/58/21/452955821.db2.gz INQRJRRNTHTZQD-ILXRZTDVSA-N 2 0 333.432 1.171 20 0 EDADRP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000645977540 452964388 /nfs/dbraw/zinc/96/43/88/452964388.db2.gz GAAWDSAGYPHWLH-BRWVUGGUSA-N 2 0 336.524 1.297 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc3ccccc3n2)CC1 ZINC000660055223 452969226 /nfs/dbraw/zinc/96/92/26/452969226.db2.gz AHZHOOJXXNEGMQ-UHFFFAOYSA-N 2 0 341.459 1.520 20 0 EDADRP CN(C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1)S(C)(=O)=O ZINC000662252635 452980613 /nfs/dbraw/zinc/98/06/13/452980613.db2.gz CKPLSOZBUBTJCM-UHFFFAOYSA-N 2 0 337.489 1.188 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000656273759 453003187 /nfs/dbraw/zinc/00/31/87/453003187.db2.gz QLJOKSKTOCPZIR-RBUKOAKNSA-N 2 0 331.504 1.895 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280620 453005188 /nfs/dbraw/zinc/00/51/88/453005188.db2.gz GGXZAEUBZSOIRH-GVDBMIGSSA-N 2 0 336.480 1.022 20 0 EDADRP Cc1cc(N2CC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000662291362 453014698 /nfs/dbraw/zinc/01/46/98/453014698.db2.gz FNCSVFYBNGUJRD-SJORKVTESA-N 2 0 345.491 1.545 20 0 EDADRP O=c1n2ccccc2nn1CC[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291215 453015111 /nfs/dbraw/zinc/01/51/11/453015111.db2.gz DMZZDVTUHQZUNR-INIZCTEOSA-N 2 0 329.448 1.208 20 0 EDADRP CCCCOCCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290996 453015180 /nfs/dbraw/zinc/01/51/80/453015180.db2.gz AYJHMQPUXYNAGD-QGZVFWFLSA-N 2 0 325.497 1.631 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CC1 ZINC000662294675 453016436 /nfs/dbraw/zinc/01/64/36/453016436.db2.gz RROPCYGAZZJICQ-FUHWJXTLSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@H]1C ZINC000666627445 453019414 /nfs/dbraw/zinc/01/94/14/453019414.db2.gz RSWQFGLOFKHJNB-ZIAGYGMSSA-N 2 0 332.448 1.463 20 0 EDADRP [NH3+][C@H]1CCc2ccccc2N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662303998 453025494 /nfs/dbraw/zinc/02/54/94/453025494.db2.gz ZQZMEWAOKWWFGM-INIZCTEOSA-N 2 0 342.487 1.510 20 0 EDADRP CN(CC[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O)C1CC[NH+](C)CC1 ZINC000660139421 453069940 /nfs/dbraw/zinc/06/99/40/453069940.db2.gz VHOJHENOQOXKEB-CGTJXYLNSA-N 2 0 336.524 1.392 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000662367096 453078984 /nfs/dbraw/zinc/07/89/84/453078984.db2.gz VTLZBCUEYAOMFQ-MSOLQXFVSA-N 2 0 331.460 1.857 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662390506 453100820 /nfs/dbraw/zinc/10/08/20/453100820.db2.gz ZTUWRZOYJJUPSL-UHFFFAOYSA-N 2 0 348.495 1.445 20 0 EDADRP Cc1nc(CCNC(=O)NCCN(C)CCC[NH+](C)C)sc1C ZINC000664449174 453105080 /nfs/dbraw/zinc/10/50/80/453105080.db2.gz AKYMFVQBLMNLEB-UHFFFAOYSA-N 2 0 341.525 1.485 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662400363 453109874 /nfs/dbraw/zinc/10/98/74/453109874.db2.gz ULSZLBYDZYISSK-UHFFFAOYSA-N 2 0 348.495 1.397 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662429473 453137030 /nfs/dbraw/zinc/13/70/30/453137030.db2.gz LTFXKKHXOCOBNI-MRXNPFEDSA-N 2 0 348.495 1.587 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000656380347 453150017 /nfs/dbraw/zinc/15/00/17/453150017.db2.gz IBZZURJAZXHDGS-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000655027929 453151518 /nfs/dbraw/zinc/15/15/18/453151518.db2.gz GZIRMCKZIHCNHF-GUDVDZBRSA-N 2 0 349.519 1.961 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc2c1C[NH2+]C2 ZINC000662466251 453177003 /nfs/dbraw/zinc/17/70/03/453177003.db2.gz DRTXTLIQCIAXJR-AWEZNQCLSA-N 2 0 329.444 1.521 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc([C@@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448913 453190433 /nfs/dbraw/zinc/19/04/33/453190433.db2.gz PQFQMFHOZCIFLM-WMZOPIPTSA-N 2 0 329.448 1.683 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000662507806 453224835 /nfs/dbraw/zinc/22/48/35/453224835.db2.gz RSXICUUOULTWHZ-YOEHRIQHSA-N 2 0 334.464 1.476 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCN([C@@H]4CC[NH2+]C4)CC3)cc21 ZINC000662517665 453237284 /nfs/dbraw/zinc/23/72/84/453237284.db2.gz NWKWTMLOOKRCLU-ZWKOTPCHSA-N 2 0 342.487 1.185 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662528996 453251320 /nfs/dbraw/zinc/25/13/20/453251320.db2.gz KZMQSERWJQHZSS-UHFFFAOYSA-N 2 0 344.484 1.993 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000666925352 453251714 /nfs/dbraw/zinc/25/17/14/453251714.db2.gz WUJARBACPFNQNO-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000646262350 453268174 /nfs/dbraw/zinc/26/81/74/453268174.db2.gz JCDQADKNYIKPIL-PBHICJAKSA-N 2 0 332.448 1.102 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000653106635 453289552 /nfs/dbraw/zinc/28/95/52/453289552.db2.gz GNWFNYASSOSYDA-SFHVURJKSA-N 2 0 332.492 1.568 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc1 ZINC000653108588 453290941 /nfs/dbraw/zinc/29/09/41/453290941.db2.gz AROMXVRFJITGND-QFBILLFUSA-N 2 0 346.519 1.956 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974482 453292525 /nfs/dbraw/zinc/29/25/25/453292525.db2.gz RGUBUASVCYCPFS-OIISXLGYSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1Cc1ccccc1 ZINC000653122338 453313235 /nfs/dbraw/zinc/31/32/35/453313235.db2.gz UFWUDDOHOLGGGD-RMRDIRSESA-N 2 0 329.444 1.002 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653124188 453317924 /nfs/dbraw/zinc/31/79/24/453317924.db2.gz SYWMXPMZZCOUJS-MSOLQXFVSA-N 2 0 328.460 1.693 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[n-]2)cc1)n1cc[nH+]c1 ZINC000653135083 453326457 /nfs/dbraw/zinc/32/64/57/453326457.db2.gz SIEKASXKTALQIC-LLVKDONJSA-N 2 0 325.376 1.717 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)cc1 ZINC000653148057 453333583 /nfs/dbraw/zinc/33/35/83/453333583.db2.gz MSTCSQKHNPDMRH-GOSISDBHSA-N 2 0 348.491 1.009 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653151708 453340782 /nfs/dbraw/zinc/34/07/82/453340782.db2.gz POHGKWZVPJONDH-FUHWJXTLSA-N 2 0 332.492 1.388 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662636999 453350990 /nfs/dbraw/zinc/35/09/90/453350990.db2.gz GECCWIXVMKKWFB-INIZCTEOSA-N 2 0 330.476 1.800 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662638528 453353178 /nfs/dbraw/zinc/35/31/78/453353178.db2.gz SDMHJAGBFMZUIG-SFHVURJKSA-N 2 0 342.487 1.800 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384618 453359561 /nfs/dbraw/zinc/35/95/61/453359561.db2.gz LQJCZSIWFZUJLO-RBSFLKMASA-N 2 0 331.464 1.338 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662673516 453389024 /nfs/dbraw/zinc/38/90/24/453389024.db2.gz MKFFYYZLRLJTTQ-DLBZAZTESA-N 2 0 335.448 1.710 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCN(CCc2cccs2)CC1 ZINC000667090392 453398827 /nfs/dbraw/zinc/39/88/27/453398827.db2.gz KQVLSTHSGZOQMU-HZPDHXFCSA-N 2 0 344.484 1.972 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@H]3C)cc2)CC1 ZINC000646475991 453423773 /nfs/dbraw/zinc/42/37/73/453423773.db2.gz MORYJCUOGDAMMT-APWZRJJASA-N 2 0 344.503 1.993 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000667156367 453445713 /nfs/dbraw/zinc/44/57/13/453445713.db2.gz JGJPWFZJISTTOQ-HZPDHXFCSA-N 2 0 348.495 1.688 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662733459 453458735 /nfs/dbraw/zinc/45/87/35/453458735.db2.gz KMHXTEFNOBBNCC-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)on1 ZINC000662733077 453459872 /nfs/dbraw/zinc/45/98/72/453459872.db2.gz QOAPAYUIKKCTSI-UHFFFAOYSA-N 2 0 336.436 1.053 20 0 EDADRP CCCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1CC[N@H+](C)C1 ZINC000649000278 453467930 /nfs/dbraw/zinc/46/79/30/453467930.db2.gz SLSAOTNXJAKIQG-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741018 453468052 /nfs/dbraw/zinc/46/80/52/453468052.db2.gz BXILQHHVKSYBIF-KURKYZTESA-N 2 0 330.476 1.046 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664889513 453468349 /nfs/dbraw/zinc/46/83/49/453468349.db2.gz NQGGRGSTBVLYSY-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662749404 453480736 /nfs/dbraw/zinc/48/07/36/453480736.db2.gz LJIZQHNDYXDBPP-HUUCEWRRSA-N 2 0 334.468 1.007 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2cc(C(C)(C)[NH3+])no2)c2ccccc2O1 ZINC000662752995 453488673 /nfs/dbraw/zinc/48/86/73/453488673.db2.gz WGNADCJAEMJBTD-LBPRGKRZSA-N 2 0 344.415 1.838 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662756036 453491422 /nfs/dbraw/zinc/49/14/22/453491422.db2.gz HAEMRKUCNWYKTA-QAPCUYQASA-N 2 0 330.476 1.363 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)sc2C1 ZINC000662779387 453514519 /nfs/dbraw/zinc/51/45/19/453514519.db2.gz RTBDGVWCFVBWIJ-JVXZTZIISA-N 2 0 334.367 1.440 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662785759 453518862 /nfs/dbraw/zinc/51/88/62/453518862.db2.gz JZZVIABSASDTGH-UHFFFAOYSA-N 3 0 339.484 1.214 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662798947 453533365 /nfs/dbraw/zinc/53/33/65/453533365.db2.gz HPDHUWZNEUOGOU-FGTMMUONSA-N 2 0 331.460 1.473 20 0 EDADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833765 453561524 /nfs/dbraw/zinc/56/15/24/453561524.db2.gz WAQLKMBVODJGCQ-PKOBYXMFSA-N 2 0 343.471 1.587 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000658981160 453562337 /nfs/dbraw/zinc/56/23/37/453562337.db2.gz NUJDCMLAWXQEGL-UHFFFAOYSA-N 2 0 343.475 1.702 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000658993448 453571418 /nfs/dbraw/zinc/57/14/18/453571418.db2.gz YVWPNCAGHVTDQQ-UHFFFAOYSA-N 2 0 332.448 1.891 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NCC1CC[NH+](CC2CC2)CC1 ZINC000660827710 453591484 /nfs/dbraw/zinc/59/14/84/453591484.db2.gz SGZAKPFEHJVBJX-QGZVFWFLSA-N 2 0 334.508 1.892 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660827849 453591679 /nfs/dbraw/zinc/59/16/79/453591679.db2.gz UCMBTBDFCCRKAZ-SJORKVTESA-N 2 0 334.508 1.892 20 0 EDADRP CN(C(=O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900440 453593072 /nfs/dbraw/zinc/59/30/72/453593072.db2.gz LPRXQXVFUGOXMU-OALUTQOASA-N 2 0 344.503 1.183 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660837365 453598552 /nfs/dbraw/zinc/59/85/52/453598552.db2.gz KRIWDUSGKPOUKD-OAHLLOKOSA-N 2 0 326.485 1.269 20 0 EDADRP COc1ccc(N2C[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2=O)cc1 ZINC000665241016 453620718 /nfs/dbraw/zinc/62/07/18/453620718.db2.gz XXWVMFSKTBXSDV-KLHDSHLOSA-N 2 0 329.444 1.778 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662971203 453629990 /nfs/dbraw/zinc/62/99/90/453629990.db2.gz CTGREQUIQVTGFX-INIZCTEOSA-N 2 0 346.479 1.054 20 0 EDADRP CNC(=O)c1ccc(C)c(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000665480029 453710981 /nfs/dbraw/zinc/71/09/81/453710981.db2.gz LLNSWLSGXOBCAE-UHFFFAOYSA-N 2 0 349.479 1.360 20 0 EDADRP Nc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000663511471 453812857 /nfs/dbraw/zinc/81/28/57/453812857.db2.gz KAUISGCHWHYLMX-OAHLLOKOSA-N 2 0 341.463 1.176 20 0 EDADRP CC(C)(C)[NH2+]CCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512873 453813539 /nfs/dbraw/zinc/81/35/39/453813539.db2.gz PDLUSEYNJQRHOC-HNNXBMFYSA-N 2 0 334.512 1.387 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)Cc2cn3ccccc3n2)CC1 ZINC000524709581 486652591 /nfs/dbraw/zinc/65/25/91/486652591.db2.gz OFSYPBWXFMXZCY-UHFFFAOYSA-N 2 0 329.448 1.021 20 0 EDADRP c1nc2cncc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n2n1 ZINC000679927454 486674461 /nfs/dbraw/zinc/67/44/61/486674461.db2.gz JSHDOBAXXXEHQT-UHFFFAOYSA-N 2 0 338.419 1.144 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000683390064 486703953 /nfs/dbraw/zinc/70/39/53/486703953.db2.gz SEHJEGRKYCLZNL-GOSISDBHSA-N 2 0 343.475 1.930 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000414762919 486731241 /nfs/dbraw/zinc/73/12/41/486731241.db2.gz MDUWFIFUZHUXFF-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534956 486800136 /nfs/dbraw/zinc/80/01/36/486800136.db2.gz AYPDANCVLGFSHD-UONOGXRCSA-N 2 0 326.485 1.445 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2ccc3cnccc3c2)C1 ZINC000683769163 486815624 /nfs/dbraw/zinc/81/56/24/486815624.db2.gz QDQIWASLQMIGLM-SFHVURJKSA-N 2 0 326.444 1.912 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000667550097 486840401 /nfs/dbraw/zinc/84/04/01/486840401.db2.gz GAVMOAWNGNOUKL-DOTOQJQBSA-N 2 0 346.475 1.315 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000684116507 486950079 /nfs/dbraw/zinc/95/00/79/486950079.db2.gz HNMXYABPCFEPAQ-CABCVRRESA-N 2 0 326.485 1.127 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+](CCO)C(C)(C)C1)C1CCCCC1 ZINC000684165767 486963832 /nfs/dbraw/zinc/96/38/32/486963832.db2.gz JYAANCUQLYKNSB-UHFFFAOYSA-N 2 0 325.497 1.556 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2n1CCC2 ZINC000667811191 486977143 /nfs/dbraw/zinc/97/71/43/486977143.db2.gz GFODCJFGJTWCFN-HNNXBMFYSA-N 2 0 333.480 1.317 20 0 EDADRP CN(C(=O)N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681219125 486977209 /nfs/dbraw/zinc/97/72/09/486977209.db2.gz URIKUBWPTCDNBE-YJBOKZPZSA-N 2 0 349.523 1.033 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cncn1C ZINC000667812839 486978167 /nfs/dbraw/zinc/97/81/67/486978167.db2.gz YJGNHLWUBWZKDG-GVDBMIGSSA-N 2 0 347.507 1.398 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)S(C)(=O)=O ZINC000677154716 486987393 /nfs/dbraw/zinc/98/73/93/486987393.db2.gz TXRRYYMGIMEVMJ-HNNXBMFYSA-N 2 0 340.489 1.684 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CCCC[NH+](C)C ZINC000681765099 487161861 /nfs/dbraw/zinc/16/18/61/487161861.db2.gz WPNUTSYRFOLMTJ-HXUWFJFHSA-N 2 0 347.503 1.814 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000672008070 487165637 /nfs/dbraw/zinc/16/56/37/487165637.db2.gz OOQXDHVEBZTBNN-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2[nH]cnc2c1 ZINC000677896266 487194545 /nfs/dbraw/zinc/19/45/45/487194545.db2.gz PWZIBGOCSKCYAS-UHFFFAOYSA-N 2 0 332.452 1.304 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000685560877 487296543 /nfs/dbraw/zinc/29/65/43/487296543.db2.gz AGZBTKGQHTUPDT-FQEVSTJZSA-N 2 0 331.504 1.958 20 0 EDADRP C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000678862287 487373504 /nfs/dbraw/zinc/37/35/04/487373504.db2.gz BXQOHKSVRQITGO-YHUYYLMFSA-N 2 0 340.512 1.115 20 0 EDADRP C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000682501389 487376916 /nfs/dbraw/zinc/37/69/16/487376916.db2.gz UBYINMWUFNSOFH-AWEZNQCLSA-N 2 0 340.489 1.712 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000669513888 485478989 /nfs/dbraw/zinc/47/89/89/485478989.db2.gz MWGFCAOVYNKNFK-HNNXBMFYSA-N 2 0 326.485 1.317 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669528896 485503517 /nfs/dbraw/zinc/50/35/17/485503517.db2.gz PUXQFOCXUSZJPO-ATLSCFEFSA-N 2 0 346.475 1.407 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000325169110 485657560 /nfs/dbraw/zinc/65/75/60/485657560.db2.gz PYOYVSJOOKAYOU-UHFFFAOYSA-N 2 0 330.436 1.009 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H]1CCC[N@H+](C)C1)CC(C)C ZINC000670834428 485834613 /nfs/dbraw/zinc/83/46/13/485834613.db2.gz DZLYZQYDWXDWPC-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000356603235 485844951 /nfs/dbraw/zinc/84/49/51/485844951.db2.gz QWKVCMDNWIJCDN-JQHSSLGASA-N 2 0 339.524 1.970 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC[C@@H]21 ZINC000261607859 485959407 /nfs/dbraw/zinc/95/94/07/485959407.db2.gz CZZGCONZUCXYPE-RUEZSYAVSA-N 2 0 335.492 1.462 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)CC3([NH3+])CCC3)C2)cc(OC)c1 ZINC000237304111 485974587 /nfs/dbraw/zinc/97/45/87/485974587.db2.gz QWGQDRWQKVUBJP-OAHLLOKOSA-N 2 0 347.459 1.666 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000668665613 486016075 /nfs/dbraw/zinc/01/60/75/486016075.db2.gz BQAGFRAQEKTTRQ-GOSISDBHSA-N 2 0 328.460 1.870 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000669386737 486021469 /nfs/dbraw/zinc/02/14/69/486021469.db2.gz BJRCXSRWMIWKAL-KZNAEPCWSA-N 2 0 330.476 1.936 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCO1 ZINC000669398762 486059545 /nfs/dbraw/zinc/05/95/45/486059545.db2.gz LXJJFUREGXPDNJ-RCBQFDQVSA-N 2 0 338.427 1.186 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669405920 486077890 /nfs/dbraw/zinc/07/78/90/486077890.db2.gz OCQBOMHVFSBBSM-XUWVNRHRSA-N 2 0 340.512 1.501 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000669418532 486137990 /nfs/dbraw/zinc/13/79/90/486137990.db2.gz PDOPPXKCIQCQTN-MPGHIAIKSA-N 2 0 346.475 1.191 20 0 EDADRP [NH3+][C@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420210 486138852 /nfs/dbraw/zinc/13/88/52/486138852.db2.gz DVXPNBTUPHPXDX-FUHWJXTLSA-N 2 0 330.476 1.935 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670787175 486218529 /nfs/dbraw/zinc/21/85/29/486218529.db2.gz MLIDQMXGHVATSG-GOSISDBHSA-N 2 0 341.459 1.575 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000669474361 486227846 /nfs/dbraw/zinc/22/78/46/486227846.db2.gz GRTXSEUSPJEKPT-OAGGEKHMSA-N 2 0 340.512 1.645 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000669491233 486263897 /nfs/dbraw/zinc/26/38/97/486263897.db2.gz QTFGXOGXXPAYMF-QGZVFWFLSA-N 2 0 331.464 1.345 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000669491609 486264725 /nfs/dbraw/zinc/26/47/25/486264725.db2.gz NTIOWXXRGKIFEY-CVEARBPZSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000119209183 490995280 /nfs/dbraw/zinc/99/52/80/490995280.db2.gz MVMYBUMDHQBGGY-LVQVYYBASA-N 2 0 338.496 1.410 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)cn1 ZINC000638419888 491020757 /nfs/dbraw/zinc/02/07/57/491020757.db2.gz STXBHZIHDVSYIB-KRWDZBQOSA-N 2 0 343.431 1.358 20 0 EDADRP COC(=O)N1CC([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000178171709 533930063 /nfs/dbraw/zinc/93/00/63/533930063.db2.gz BFMLBNDSMHDWEJ-UHFFFAOYSA-N 2 0 346.475 1.757 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156762374 534068003 /nfs/dbraw/zinc/06/80/03/534068003.db2.gz ARPBSOMJGGEADU-IAGOWNOFSA-N 2 0 335.492 1.998 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C[C@H]2CCC[NH2+]2)c1 ZINC000164760491 528136128 /nfs/dbraw/zinc/13/61/28/528136128.db2.gz ZKLVKCFMNRBJSJ-MRXNPFEDSA-N 2 0 346.475 1.839 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000183990604 528544118 /nfs/dbraw/zinc/54/41/18/528544118.db2.gz SUNKRFVVKZZTGW-GOSISDBHSA-N 2 0 333.476 1.329 20 0 EDADRP CCOC[C@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175796824 528996486 /nfs/dbraw/zinc/99/64/86/528996486.db2.gz RZUFHUYGIIWTGD-SOLBZPMBSA-N 2 0 328.497 1.595 20 0 EDADRP CCOC[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000175796856 528997167 /nfs/dbraw/zinc/99/71/67/528997167.db2.gz RZUFHUYGIIWTGD-JFIYKMOQSA-N 2 0 328.497 1.595 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000158566490 529043963 /nfs/dbraw/zinc/04/39/63/529043963.db2.gz RPYSYCYTBHVVJH-QGZVFWFLSA-N 2 0 330.476 1.780 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175546963 529118510 /nfs/dbraw/zinc/11/85/10/529118510.db2.gz GNIGIYWNCSZBMR-SFHVURJKSA-N 2 0 337.508 1.770 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCOCCO)CC1 ZINC000181641717 529153528 /nfs/dbraw/zinc/15/35/28/529153528.db2.gz VLSAXUOSFOJXJG-HNNXBMFYSA-N 2 0 339.455 1.627 20 0 EDADRP CC1CCC(NC(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000333838365 535262673 /nfs/dbraw/zinc/26/26/73/535262673.db2.gz KRWXQNTZOHKVFV-STCOUPBVSA-N 2 0 337.508 1.900 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)C1(C)C ZINC000347176531 535418480 /nfs/dbraw/zinc/41/84/80/535418480.db2.gz WHINKTAWIVAVPN-BZUAXINKSA-N 2 0 327.513 1.872 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000332611265 535467570 /nfs/dbraw/zinc/46/75/70/535467570.db2.gz PBWKWUSAKJGYAJ-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000346996091 535715247 /nfs/dbraw/zinc/71/52/47/535715247.db2.gz VMRJXJZBUDHUJU-HZPDHXFCSA-N 2 0 326.529 1.543 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262631377 535739960 /nfs/dbraw/zinc/73/99/60/535739960.db2.gz FGTHCPBZCKDQFV-JFIYKMOQSA-N 2 0 332.492 1.465 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261660016 535875451 /nfs/dbraw/zinc/87/54/51/535875451.db2.gz BDBZMIGTFMMSEE-RHSMWYFYSA-N 2 0 334.464 1.626 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271042272 536375319 /nfs/dbraw/zinc/37/53/19/536375319.db2.gz RFKMFLMMALBIMZ-LJQANCHMSA-N 2 0 345.487 1.715 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CCCC[C@@H]3C[NH3+])ccn2)CC1 ZINC000237237440 536419112 /nfs/dbraw/zinc/41/91/12/536419112.db2.gz POKZIGHUTIRXAK-HZPDHXFCSA-N 2 0 331.464 1.081 20 0 EDADRP COC1(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261559206 536539851 /nfs/dbraw/zinc/53/98/51/536539851.db2.gz DPIWKFVVODPPOM-SJLPKXTDSA-N 2 0 345.487 1.782 20 0 EDADRP COC[C@@]1(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[NH2+]C1 ZINC000261739501 536813414 /nfs/dbraw/zinc/81/34/14/536813414.db2.gz SPNPHQVXHCEAMQ-GOSISDBHSA-N 2 0 337.508 1.918 20 0 EDADRP CO[C@H](C)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263821779 536857137 /nfs/dbraw/zinc/85/71/37/536857137.db2.gz KACZUMIAHXVRAC-MRXNPFEDSA-N 2 0 349.479 1.318 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000262222068 536863459 /nfs/dbraw/zinc/86/34/59/536863459.db2.gz FSUZALBQVHCZSN-TUKIKUTGSA-N 2 0 343.830 1.562 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1 ZINC000333684933 536892803 /nfs/dbraw/zinc/89/28/03/536892803.db2.gz PEKZXAAPNBJVTI-BODMPHMZSA-N 2 0 346.475 1.533 20 0 EDADRP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000741784152 579428161 /nfs/dbraw/zinc/42/81/61/579428161.db2.gz HAKFSNDQQAQIPK-IBGZPJMESA-N 2 0 340.471 1.965 20 0 EDADRP CCOC(=O)N[C@H]1CCCN(C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000726796624 578361570 /nfs/dbraw/zinc/36/15/70/578361570.db2.gz IDPVIFVGBRYCBA-ZWKOTPCHSA-N 2 0 349.475 1.690 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000729265213 578562731 /nfs/dbraw/zinc/56/27/31/578562731.db2.gz CMGCRSZEEZJBEY-LBPRGKRZSA-N 2 0 345.447 1.869 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCCN2CCO[C@@H](C)C2)C1 ZINC000729605801 578584323 /nfs/dbraw/zinc/58/43/23/578584323.db2.gz MIPGWNDVVNOKDP-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000746258239 578622328 /nfs/dbraw/zinc/62/23/28/578622328.db2.gz FLRMPDHNMUAALI-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)Nc1ncnc2c1ncn2C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000738075587 579157404 /nfs/dbraw/zinc/15/74/04/579157404.db2.gz FRQWZESEORAZDD-UHFFFAOYSA-N 2 0 331.468 1.878 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)CCCC[NH+]1CCCC1 ZINC000747143935 579630515 /nfs/dbraw/zinc/63/05/15/579630515.db2.gz CMGLBHPQUYQJNL-KURKYZTESA-N 2 0 337.508 1.963 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)C[C@H]1C ZINC000748972218 579708941 /nfs/dbraw/zinc/70/89/41/579708941.db2.gz WWRUTWVOBLKOLV-YYIAUSFCSA-N 2 0 338.496 1.364 20 0 EDADRP CC(=O)NCCC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000750837278 579783164 /nfs/dbraw/zinc/78/31/64/579783164.db2.gz WLAALDYYNAOCJM-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP CC[C@]1(C(C)C)NC(=O)N(CN2CC[C@@H](c3nccn3C)C2)C1=O ZINC000755789459 579935091 /nfs/dbraw/zinc/93/50/91/579935091.db2.gz NOEUZIOUAWOSPL-CXAGYDPISA-N 2 0 333.436 1.524 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125427 579944048 /nfs/dbraw/zinc/94/40/48/579944048.db2.gz CRUPRTCAEBOULI-DDTOSNHZSA-N 2 0 326.824 1.684 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000756815400 579957532 /nfs/dbraw/zinc/95/75/32/579957532.db2.gz ZWFSEYHIRFUSRY-CVEARBPZSA-N 2 0 326.554 1.913 20 0 EDADRP CC[C@H]1CC(=O)N(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000771175444 580281771 /nfs/dbraw/zinc/28/17/71/580281771.db2.gz PDPGTNNBFOYGFV-KRWDZBQOSA-N 2 0 336.524 1.693 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000771325401 580284235 /nfs/dbraw/zinc/28/42/35/580284235.db2.gz WDEVHVPMFGTZKE-KRWDZBQOSA-N 2 0 338.496 1.365 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000771662553 580292017 /nfs/dbraw/zinc/29/20/17/580292017.db2.gz CBJILTCZOOINSD-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH+](C)C)CCC1 ZINC000779369839 580484454 /nfs/dbraw/zinc/48/44/54/580484454.db2.gz APWHOAIVIHLLEH-LJQANCHMSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@@H]12 ZINC000782275905 580570525 /nfs/dbraw/zinc/57/05/25/580570525.db2.gz LTWNZFHUHRRPHJ-ILXRZTDVSA-N 2 0 334.464 1.471 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328792 580842208 /nfs/dbraw/zinc/84/22/08/580842208.db2.gz FRAVYHINGGJGSJ-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1OCCCO1 ZINC000793328837 580842241 /nfs/dbraw/zinc/84/22/41/580842241.db2.gz GIYFRIVGYVTNNK-OAHLLOKOSA-N 2 0 327.469 1.014 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000794375672 580889514 /nfs/dbraw/zinc/88/95/14/580889514.db2.gz SUMGZZFEUKSPRK-HOTGVXAUSA-N 2 0 341.496 1.680 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CC2CCC3(CC2)OCCO3)C1 ZINC000795926514 580941508 /nfs/dbraw/zinc/94/15/08/580941508.db2.gz GVHJXLJKVTUZTD-INIZCTEOSA-N 2 0 339.480 1.097 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000893048627 590636077 /nfs/dbraw/zinc/63/60/77/590636077.db2.gz SQRMCGAZRABSEW-UXHICEINSA-N 2 0 331.504 1.801 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891858245 590659104 /nfs/dbraw/zinc/65/91/04/590659104.db2.gz NFLLAXBYMWKPHM-ZDUSSCGKSA-N 2 0 330.423 1.405 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000891864105 590661359 /nfs/dbraw/zinc/66/13/59/590661359.db2.gz GIUBXFLSLOIBLZ-WHNWWWKISA-N 2 0 348.413 1.923 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000893192617 590704653 /nfs/dbraw/zinc/70/46/53/590704653.db2.gz YRYJLALVAWQGEZ-INIZCTEOSA-N 2 0 344.503 1.727 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019892 590750938 /nfs/dbraw/zinc/75/09/38/590750938.db2.gz PVCUPVNKHRQKSN-ATZDWAIDSA-N 2 0 342.487 1.779 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000892056480 590775922 /nfs/dbraw/zinc/77/59/22/590775922.db2.gz SMBIWMBMOAPPFJ-RDJZCZTQSA-N 2 0 334.464 1.232 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000893328583 590783301 /nfs/dbraw/zinc/78/33/01/590783301.db2.gz ZKIOCXKHPBSXDP-UHFFFAOYSA-N 2 0 348.491 1.796 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[NH2+]CCC12CCC2 ZINC000892132789 590816062 /nfs/dbraw/zinc/81/60/62/590816062.db2.gz VKECELZBPWSDAY-UHFFFAOYSA-N 2 0 349.523 1.130 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000892149520 590822031 /nfs/dbraw/zinc/82/20/31/590822031.db2.gz FSCKMXFBDBNUSH-GUDXXQAFSA-N 2 0 334.439 1.650 20 0 EDADRP C[C@H](CNC(=O)N(C)CCCCCC[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000892232399 590877582 /nfs/dbraw/zinc/87/75/82/590877582.db2.gz KRIKUBFDJUUFAN-OAGGEKHMSA-N 2 0 328.501 1.645 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCC2([NH3+])CCCC2)c1 ZINC000892252376 590887592 /nfs/dbraw/zinc/88/75/92/590887592.db2.gz XUAUUJHONPHDGH-INIZCTEOSA-N 2 0 332.448 1.623 20 0 EDADRP O=S1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000893486952 590903443 /nfs/dbraw/zinc/90/34/43/590903443.db2.gz JBHNXTRHCKLQDN-FRIYVGAWSA-N 2 0 336.501 1.644 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000892274867 590906051 /nfs/dbraw/zinc/90/60/51/590906051.db2.gz QZHZRPVFFVKXFU-GDBMZVCRSA-N 2 0 329.448 1.586 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000892329032 590951941 /nfs/dbraw/zinc/95/19/41/590951941.db2.gz BBTNZQJXQQBJTO-QAPCUYQASA-N 2 0 342.487 1.863 20 0 EDADRP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892384131 591004472 /nfs/dbraw/zinc/00/44/72/591004472.db2.gz OZKKYISETVZWLJ-OWCLPIDISA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000892398774 591010618 /nfs/dbraw/zinc/01/06/18/591010618.db2.gz QQOMQPATWZVZPB-MSOLQXFVSA-N 2 0 330.476 1.826 20 0 EDADRP [NH3+][C@@H](CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)Cc1ccccc1 ZINC000892407754 591015226 /nfs/dbraw/zinc/01/52/26/591015226.db2.gz DQYPYVQCVHSTME-ZWKOTPCHSA-N 2 0 348.491 1.093 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)[NH+](C)C)cc1 ZINC000892411391 591017286 /nfs/dbraw/zinc/01/72/86/591017286.db2.gz XOCUOGFSMGPLKJ-GOSISDBHSA-N 2 0 348.491 1.354 20 0 EDADRP COCCC1(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000892412821 591017991 /nfs/dbraw/zinc/01/79/91/591017991.db2.gz FLHNRTINCBCTDO-KRWDZBQOSA-N 2 0 348.491 1.404 20 0 EDADRP C[NH+]1CCC[C@H](CNc2nccc(NC[C@@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421899 591021385 /nfs/dbraw/zinc/02/13/85/591021385.db2.gz QHDIWQRBQSLQJW-JKSUJKDBSA-N 3 0 332.496 1.984 20 0 EDADRP C[NH+](C)CCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892429261 591024269 /nfs/dbraw/zinc/02/42/69/591024269.db2.gz HZHFXNIGDBTPAW-CABCVRRESA-N 2 0 341.496 1.990 20 0 EDADRP COCCOc1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000893660684 591037594 /nfs/dbraw/zinc/03/75/94/591037594.db2.gz CQBJYWBPUFXUEN-HNNXBMFYSA-N 2 0 325.453 1.420 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484983 591044354 /nfs/dbraw/zinc/04/43/54/591044354.db2.gz RULQAKGOBGCHPJ-HUUCEWRRSA-N 2 0 340.512 1.251 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892489815 591046684 /nfs/dbraw/zinc/04/66/84/591046684.db2.gz MLOAXMNLSDBPNU-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891350310 591055129 /nfs/dbraw/zinc/05/51/29/591055129.db2.gz PLOBKPRGHFIKPF-QAPCUYQASA-N 2 0 330.476 1.875 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CCC[C@@H](C[NH3+])C3)C2)cc1 ZINC000892530285 591060775 /nfs/dbraw/zinc/06/07/75/591060775.db2.gz MDKGPWJAPAZBMI-ROUUACIJSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892532326 591062332 /nfs/dbraw/zinc/06/23/32/591062332.db2.gz KGQQKDRXGPDMMM-DNOWBOINSA-N 2 0 332.439 1.793 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892557176 591071650 /nfs/dbraw/zinc/07/16/50/591071650.db2.gz NOWYNCBAFOTDAS-CALCHBBNSA-N 2 0 340.512 1.504 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[NH+](C)C)cc1 ZINC000891447420 591074702 /nfs/dbraw/zinc/07/47/02/591074702.db2.gz VYENBULUAFYBEG-YQVWRLOYSA-N 2 0 330.476 1.849 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000892587385 591082176 /nfs/dbraw/zinc/08/21/76/591082176.db2.gz LWZGIFHFDMGXLE-TXTZMMAHSA-N 2 0 334.508 1.938 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1 ZINC000892586136 591082224 /nfs/dbraw/zinc/08/22/24/591082224.db2.gz DTDXMLMZVPHHFY-SRVCANOKSA-N 2 0 328.460 1.653 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000891479178 591088998 /nfs/dbraw/zinc/08/89/98/591088998.db2.gz PWZCDQGVZLHSEY-CHWSQXEVSA-N 2 0 336.402 1.497 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)C ZINC000891485498 591089272 /nfs/dbraw/zinc/08/92/72/591089272.db2.gz OZBPQOMLGDDKOV-OAHLLOKOSA-N 2 0 326.485 1.175 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000891493713 591093032 /nfs/dbraw/zinc/09/30/32/591093032.db2.gz ZCHCPIOPOMPWQA-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000891508550 591098283 /nfs/dbraw/zinc/09/82/83/591098283.db2.gz NQVNLRXXBARJAT-KBAYOESNSA-N 2 0 330.476 1.682 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000891598885 591141954 /nfs/dbraw/zinc/14/19/54/591141954.db2.gz XVCPNAALPOGCJV-INIZCTEOSA-N 2 0 328.501 1.421 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H]2CCC[NH+]3C)C1 ZINC000891598415 591143172 /nfs/dbraw/zinc/14/31/72/591143172.db2.gz SWGFFQFKPZNRLU-IXDOHACOSA-N 2 0 338.496 1.221 20 0 EDADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000892780417 591173087 /nfs/dbraw/zinc/17/30/87/591173087.db2.gz SFWUUKPSGCWXQI-CVEARBPZSA-N 2 0 336.480 1.025 20 0 EDADRP COCCC1(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC000892792655 591177890 /nfs/dbraw/zinc/17/78/90/591177890.db2.gz QOLMCGWLCHXFNU-KRWDZBQOSA-N 2 0 346.475 1.159 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000892789226 591179127 /nfs/dbraw/zinc/17/91/27/591179127.db2.gz MFCRWQYEHUZUQH-PKOBYXMFSA-N 2 0 328.460 1.486 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795304 591182326 /nfs/dbraw/zinc/18/23/26/591182326.db2.gz UQONPISHGJFEJX-IEBWSBKVSA-N 2 0 328.460 1.438 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000892811445 591189483 /nfs/dbraw/zinc/18/94/83/591189483.db2.gz OPVONDROVWDLEM-MOPGFXCFSA-N 2 0 342.487 1.971 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)C[C@@H](C)O1 ZINC000891727251 591200759 /nfs/dbraw/zinc/20/07/59/591200759.db2.gz FPYVAIGSWFYPCX-QBPKDAKJSA-N 2 0 338.496 1.364 20 0 EDADRP COC(=O)[C@H]1CN(c2cc[nH+]c3ccc(OC)cc32)CC[N@H+](C)C1 ZINC000894191603 591223702 /nfs/dbraw/zinc/22/37/02/591223702.db2.gz ZPDCOVBBWJMNKI-CYBMUJFWSA-N 2 0 329.400 1.784 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000895627326 591235321 /nfs/dbraw/zinc/23/53/21/591235321.db2.gz FQECYXUWYHYHBV-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000892999122 591250742 /nfs/dbraw/zinc/25/07/42/591250742.db2.gz AQDGEAALYSSBMJ-OTWHNJEPSA-N 2 0 342.487 1.997 20 0 EDADRP O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895696747 591257230 /nfs/dbraw/zinc/25/72/30/591257230.db2.gz GFZJUCOFLIGSSE-RBUKOAKNSA-N 2 0 343.471 1.488 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895813395 591279041 /nfs/dbraw/zinc/27/90/41/591279041.db2.gz JPTJKPOMOKTTRJ-OAHLLOKOSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1COCC1(C)C ZINC000894359454 591289147 /nfs/dbraw/zinc/28/91/47/591289147.db2.gz PICUUBKDZDOIMQ-IRXDYDNUSA-N 2 0 333.476 1.290 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cs1 ZINC000894397888 591301974 /nfs/dbraw/zinc/30/19/74/591301974.db2.gz SYCZNNVFQARDBZ-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000897432796 591412845 /nfs/dbraw/zinc/41/28/45/591412845.db2.gz NZKUTKWHYHIPLR-INIZCTEOSA-N 2 0 333.480 1.497 20 0 EDADRP C[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896291972 591417024 /nfs/dbraw/zinc/41/70/24/591417024.db2.gz MVXRLOUHBHIWPK-INIZCTEOSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000897470586 591472894 /nfs/dbraw/zinc/47/28/94/591472894.db2.gz HAYVWGHUIFYWKB-CVEARBPZSA-N 2 0 331.464 1.644 20 0 EDADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000896541884 591506227 /nfs/dbraw/zinc/50/62/27/591506227.db2.gz JCUVUSCTCUKIOV-VQIMIIECSA-N 2 0 344.503 1.647 20 0 EDADRP Cc1ccc(CN2CCO[C@@H](CNc3nc(N)cc(C)[nH+]3)C2)cc1 ZINC000895017604 591525638 /nfs/dbraw/zinc/52/56/38/591525638.db2.gz GMFVVOSAEYIPEL-INIZCTEOSA-N 2 0 327.432 1.989 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)[nH]n1 ZINC000897577492 591564883 /nfs/dbraw/zinc/56/48/83/591564883.db2.gz XLVXWXOMZYIHPF-YOEHRIQHSA-N 2 0 331.464 1.923 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000897589328 591571569 /nfs/dbraw/zinc/57/15/69/591571569.db2.gz JXLULRSKDFUXOF-MSOLQXFVSA-N 2 0 330.476 1.535 20 0 EDADRP CC(C)[C@@H](C(=O)NCC(C)(C)n1ccnc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000898901328 591586585 /nfs/dbraw/zinc/58/65/85/591586585.db2.gz HFWGLDFWROQMJH-XHSDSOJGSA-N 2 0 336.480 1.868 20 0 EDADRP C[C@H](O)[C@H]1CCN(c2cc(N3C[C@@H]4C[N@H+](C)C[C@]4(C)C3)ncn2)C1 ZINC000896912672 591677126 /nfs/dbraw/zinc/67/71/26/591677126.db2.gz CKQFGWPRPCCWSX-YRBFXIGRSA-N 2 0 331.464 1.072 20 0 EDADRP CC(C)[NH+](CCNC(=O)CCN1CC[NH+](C(C)C)CC1)C(C)C ZINC000900013157 591863267 /nfs/dbraw/zinc/86/32/67/591863267.db2.gz RPQUTYPUWUYKLV-UHFFFAOYSA-N 2 0 326.529 1.638 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013683 591872419 /nfs/dbraw/zinc/87/24/19/591872419.db2.gz OAIZEDCJICOIST-AZUAARDMSA-N 2 0 345.487 1.787 20 0 EDADRP CN1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000900137957 591914978 /nfs/dbraw/zinc/91/49/78/591914978.db2.gz CJLGWDGHXDHJMD-YLJYHZDGSA-N 2 0 345.487 1.395 20 0 EDADRP C[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140979 591915463 /nfs/dbraw/zinc/91/54/63/591915463.db2.gz LXHXPMHKGCUYPO-UZLBHIALSA-N 2 0 345.487 1.396 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)C1 ZINC000902316291 591976579 /nfs/dbraw/zinc/97/65/79/591976579.db2.gz GPAMFTZZYWVXOP-INIZCTEOSA-N 2 0 339.505 1.474 20 0 EDADRP COc1ccc(C(=O)N2CCC([NH2+][C@H](C)C3([NH3+])CC3)CC2)cc1OC ZINC000902348366 591978025 /nfs/dbraw/zinc/97/80/25/591978025.db2.gz USPYEUHPDARIGZ-CYBMUJFWSA-N 2 0 347.459 1.778 20 0 EDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502328 592003687 /nfs/dbraw/zinc/00/36/87/592003687.db2.gz TYNLYWGHTYBDIT-YNGBHSAQSA-N 3 0 343.471 1.584 20 0 EDADRP O=S(=O)(Nc1cccc(CN[C@H]2[C@@H]3[NH2+]C[C@H]4C[C@H]2C[C@H]34)c1)C1CC1 ZINC000902513086 592004955 /nfs/dbraw/zinc/00/49/55/592004955.db2.gz DSBAPVRGCMXWGF-KISNFGTJSA-N 2 0 347.484 1.677 20 0 EDADRP CN(c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1)S(C)(=O)=O ZINC000902515794 592008747 /nfs/dbraw/zinc/00/87/47/592008747.db2.gz XWEGMOKPEFNNPC-OWCLPIDISA-N 2 0 337.489 1.560 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900428942 592015357 /nfs/dbraw/zinc/01/53/57/592015357.db2.gz LNDQHJZYISAQKM-IXDOHACOSA-N 2 0 347.507 1.922 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC(C[NH+](C)C)CC2)CC1 ZINC000900687858 592095428 /nfs/dbraw/zinc/09/54/28/592095428.db2.gz ZICNTKDAWFVJMK-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000900720803 592104040 /nfs/dbraw/zinc/10/40/40/592104040.db2.gz YAEKSLZLDOZOBQ-IBGZPJMESA-N 2 0 346.475 1.009 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCO[C@]34CCOC4)cn2)CC1 ZINC000903073658 592119632 /nfs/dbraw/zinc/11/96/32/592119632.db2.gz PLULVHQVPYFSCK-HKUYNNGSSA-N 2 0 346.475 1.261 20 0 EDADRP CCCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110692 592121423 /nfs/dbraw/zinc/12/14/23/592121423.db2.gz BSZUROYPAKOKAI-QYKUSJBESA-N 2 0 335.496 1.818 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CC1 ZINC000903097148 592123042 /nfs/dbraw/zinc/12/30/42/592123042.db2.gz PPIHMVWJFHPKCC-SYKANANRSA-N 3 0 332.536 1.902 20 0 EDADRP O=C1COc2ccccc2CN1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000903182848 592132145 /nfs/dbraw/zinc/13/21/45/592132145.db2.gz VVVKZEQLZHKIMF-UHFFFAOYSA-N 2 0 343.471 1.872 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900900994 592165309 /nfs/dbraw/zinc/16/53/09/592165309.db2.gz NLFXCJFUVSFSCB-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903461065 592171648 /nfs/dbraw/zinc/17/16/48/592171648.db2.gz OGWAUYQDZOONFK-KGLIPLIRSA-N 2 0 331.416 1.111 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900954694 592183673 /nfs/dbraw/zinc/18/36/73/592183673.db2.gz JDRPNRJOMYFWBY-SJLPKXTDSA-N 2 0 337.508 1.963 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncc(C)c(OC)c1C)C2 ZINC000903492581 592185006 /nfs/dbraw/zinc/18/50/06/592185006.db2.gz FXOUNOZMOTVYBG-IYOUNJFTSA-N 2 0 333.432 1.419 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC000900958780 592185126 /nfs/dbraw/zinc/18/51/26/592185126.db2.gz RGBUWLFRJUQAFZ-OAGGEKHMSA-N 2 0 339.480 1.251 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1ccccc1OC)C2 ZINC000903492658 592185427 /nfs/dbraw/zinc/18/54/27/592185427.db2.gz PGWOWPUIPHMPHS-IYOUNJFTSA-N 2 0 334.416 1.286 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1OC ZINC000903496495 592187856 /nfs/dbraw/zinc/18/78/56/592187856.db2.gz PSOJRJDWCNFDTR-HUUCEWRRSA-N 2 0 349.475 1.579 20 0 EDADRP C[C@H](C(=O)N1CCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507033 592198931 /nfs/dbraw/zinc/19/89/31/592198931.db2.gz KROWQXPHOWIBBB-NXHRZFHOSA-N 2 0 334.508 1.288 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[NH+]1CCC(C)CC1 ZINC000906648519 592233780 /nfs/dbraw/zinc/23/37/80/592233780.db2.gz MNDFLNJQKJTGQQ-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]Cc2ccc(C[NH3+])cc2)C1 ZINC000904367872 592239131 /nfs/dbraw/zinc/23/91/31/592239131.db2.gz FNHQRNYWVDCSDF-MRXNPFEDSA-N 2 0 335.448 1.871 20 0 EDADRP C[C@]1(C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CCC[NH2+]C1 ZINC000904366146 592242040 /nfs/dbraw/zinc/24/20/40/592242040.db2.gz FZMQOAALMHGPGP-AWEZNQCLSA-N 2 0 339.452 1.230 20 0 EDADRP Cc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)ccc1-n1cncn1 ZINC000904392709 592243318 /nfs/dbraw/zinc/24/33/18/592243318.db2.gz XVKNYCJAWMIJJW-QGZVFWFLSA-N 2 0 341.459 1.906 20 0 EDADRP COc1ccc(-c2ccncc2)cc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396513 592244181 /nfs/dbraw/zinc/24/41/81/592244181.db2.gz JHQUJEDTECXGBR-UHFFFAOYSA-N 2 0 326.444 1.752 20 0 EDADRP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CCC[NH2+]C1 ZINC000904384353 592247397 /nfs/dbraw/zinc/24/73/97/592247397.db2.gz JPEODJLATSATNA-DFEOGRTESA-N 2 0 337.508 1.508 20 0 EDADRP Oc1cc(F)c(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c(F)c1 ZINC000904434257 592255600 /nfs/dbraw/zinc/25/56/00/592255600.db2.gz UEJWYZPTBXASGF-LLVKDONJSA-N 2 0 337.374 1.519 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@@]34CC[NH2+]C4)n2)CC1 ZINC000904455875 592264993 /nfs/dbraw/zinc/26/49/93/592264993.db2.gz ALFXPSNYQOGFMV-KRWDZBQOSA-N 2 0 332.452 1.510 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])n2)CC1 ZINC000904457734 592265775 /nfs/dbraw/zinc/26/57/75/592265775.db2.gz QONMQLAQMUAGKT-KSSFIOAISA-N 2 0 346.479 1.885 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C1 ZINC000904459035 592265799 /nfs/dbraw/zinc/26/57/99/592265799.db2.gz MXLZDXQAMSWXLI-QGZVFWFLSA-N 3 0 344.503 1.176 20 0 EDADRP CN(C)c1ncc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000904477036 592269329 /nfs/dbraw/zinc/26/93/29/592269329.db2.gz WRSUPFWVBAOAKL-QFBILLFUSA-N 2 0 339.443 1.888 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(N4CC[NH2+]CC4)o3)[C@H]2C1 ZINC000904475179 592269439 /nfs/dbraw/zinc/26/94/39/592269439.db2.gz ZIRGLWOKQRANIG-VDERGJSUSA-N 2 0 333.432 1.367 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000901170325 592274961 /nfs/dbraw/zinc/27/49/61/592274961.db2.gz AFKQLAIFHFBUTR-LJHODMEESA-N 2 0 346.475 1.178 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000904598859 592292795 /nfs/dbraw/zinc/29/27/95/592292795.db2.gz TWZGADZQMWTXLO-MRXNPFEDSA-N 2 0 334.464 1.849 20 0 EDADRP CCOC(=O)N(C)C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903752970 592297004 /nfs/dbraw/zinc/29/70/04/592297004.db2.gz RDFUFVILJWKPNY-WBVHZDCISA-N 2 0 325.453 1.308 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000901236888 592297211 /nfs/dbraw/zinc/29/72/11/592297211.db2.gz ZFHGHJVXUIYALN-SJLPKXTDSA-N 2 0 341.459 1.620 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@@H](C)O1 ZINC000903736799 592298895 /nfs/dbraw/zinc/29/88/95/592298895.db2.gz NAQZPYNKIYDIMQ-ZSXDVEMLSA-N 2 0 337.508 1.329 20 0 EDADRP Cc1nc(CN2CCC[C@H]([N@H+](C)C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)no1 ZINC000903738991 592300814 /nfs/dbraw/zinc/30/08/14/592300814.db2.gz AMYPTOBDHUSOCE-BQFCYCMXSA-N 2 0 349.479 1.043 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C[NH3+])C2)cc1 ZINC000906741513 592306027 /nfs/dbraw/zinc/30/60/27/592306027.db2.gz JPGGQQJPZGPBFO-KOMQPUFPSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793434 592316740 /nfs/dbraw/zinc/31/67/40/592316740.db2.gz DDFHVGHDDNAQIR-SJLPKXTDSA-N 2 0 345.487 1.663 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903778364 592319652 /nfs/dbraw/zinc/31/96/52/592319652.db2.gz LXKRIJQVCPPJGD-AGIUHOORSA-N 2 0 333.358 1.484 20 0 EDADRP CCOC(=O)CC1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903883011 592362753 /nfs/dbraw/zinc/36/27/53/592362753.db2.gz DITLYFIIVNNLMK-MRXNPFEDSA-N 2 0 336.480 1.511 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908299 592373642 /nfs/dbraw/zinc/37/36/42/592373642.db2.gz GHJACAGJZXPSKP-ROUUACIJSA-N 2 0 327.476 1.806 20 0 EDADRP NC(=O)c1cc([C@H]2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)n[nH]1 ZINC000903908534 592374063 /nfs/dbraw/zinc/37/40/63/592374063.db2.gz KOUBKJJEKBPMIM-HNNXBMFYSA-N 2 0 339.443 1.534 20 0 EDADRP CC[NH+](CC)CC1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903906188 592374165 /nfs/dbraw/zinc/37/41/65/592374165.db2.gz UDBJTLVSYIFXEJ-KRWDZBQOSA-N 2 0 334.512 1.756 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922983 592378227 /nfs/dbraw/zinc/37/82/27/592378227.db2.gz ISGZMKQBLNQISQ-WBVHZDCISA-N 2 0 328.464 1.109 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000908229100 592393640 /nfs/dbraw/zinc/39/36/40/592393640.db2.gz FRHCOSLQIUTDEO-MNEFBYGVSA-N 2 0 343.471 1.486 20 0 EDADRP COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000903948219 592394061 /nfs/dbraw/zinc/39/40/61/592394061.db2.gz NQSZHJFQTYRABY-CQSZACIVSA-N 2 0 345.443 1.029 20 0 EDADRP Cn1nnc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)ccc21 ZINC000903980244 592400710 /nfs/dbraw/zinc/40/07/10/592400710.db2.gz LHZWXFYHXRAFIN-CALCHBBNSA-N 2 0 340.475 1.369 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905108794 592410145 /nfs/dbraw/zinc/41/01/45/592410145.db2.gz BXPOUVAMYXRZRL-SFHVURJKSA-N 2 0 341.540 1.440 20 0 EDADRP C[C@H](NC(C)(C)C[NH2+]C[C@H](O)C1(O)CCOCC1)c1ccccc1 ZINC000905095233 592420014 /nfs/dbraw/zinc/42/00/14/592420014.db2.gz CIWMZDIQMOUHBE-RDJZCZTQSA-N 2 0 336.476 1.608 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)c(C)c2)CC1 ZINC000904283096 592468273 /nfs/dbraw/zinc/46/82/73/592468273.db2.gz XRGWQODRSUVQPH-WKILWMFISA-N 2 0 345.491 1.996 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1(C)C ZINC000905249666 592476757 /nfs/dbraw/zinc/47/67/57/592476757.db2.gz ZPGIAOAXBIUFJC-QZTJIDSGSA-N 2 0 335.492 1.087 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1(C)C ZINC000905249665 592476766 /nfs/dbraw/zinc/47/67/66/592476766.db2.gz ZPGIAOAXBIUFJC-MSOLQXFVSA-N 2 0 335.492 1.087 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905294939 592487210 /nfs/dbraw/zinc/48/72/10/592487210.db2.gz NAVJRPWOCVBGLM-RBUKOAKNSA-N 2 0 335.492 1.087 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000905344158 592500792 /nfs/dbraw/zinc/50/07/92/592500792.db2.gz BIDHRIAUHLSCFY-UHFFFAOYSA-N 2 0 344.503 1.392 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000908595661 592548104 /nfs/dbraw/zinc/54/81/04/592548104.db2.gz RSWKMVWFMZQARB-UHFFFAOYSA-N 2 0 325.497 1.604 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905497137 592553536 /nfs/dbraw/zinc/55/35/36/592553536.db2.gz WYHPKKPCUVTEDP-YYWYGQEZSA-N 2 0 328.497 1.232 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+](C)C[C@@H](C)O)CC2)C1 ZINC000907579047 592720103 /nfs/dbraw/zinc/72/01/03/592720103.db2.gz PBZYOLJHOMYZDS-HZPDHXFCSA-N 2 0 325.497 1.412 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000906096120 592740789 /nfs/dbraw/zinc/74/07/89/592740789.db2.gz BGZXFRKSGGLKKI-ZIAGYGMSSA-N 2 0 336.505 1.987 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000907747531 592787249 /nfs/dbraw/zinc/78/72/49/592787249.db2.gz UDJKEKDZLPBZAA-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000910875140 592899329 /nfs/dbraw/zinc/89/93/29/592899329.db2.gz HYOFJFRXNPERTA-UHFFFAOYSA-N 2 0 325.497 1.270 20 0 EDADRP COc1cc(NC(=O)C23CC[NH+](CC2)C3)ccc1OCC[NH+](C)C ZINC000910935631 592902215 /nfs/dbraw/zinc/90/22/15/592902215.db2.gz LRVHWAALIKWLAS-UHFFFAOYSA-N 2 0 333.432 1.670 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000753961605 592912234 /nfs/dbraw/zinc/91/22/34/592912234.db2.gz AROPYXONIYWWRF-GJZGRUSLSA-N 2 0 330.542 1.292 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000911299237 592984078 /nfs/dbraw/zinc/98/40/78/592984078.db2.gz SIVRCUFALOIPKK-UHFFFAOYSA-N 2 0 338.496 1.143 20 0 EDADRP [NH3+][C@@H](CC(=O)NCC1CC[NH2+]CC1)Cc1cc(F)c(F)cc1F ZINC000911673256 592985127 /nfs/dbraw/zinc/98/51/27/592985127.db2.gz TZNIXMOMHQEPKO-GFCCVEGCSA-N 2 0 329.366 1.480 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911714090 592986372 /nfs/dbraw/zinc/98/63/72/592986372.db2.gz NPINYBJTMSMMMR-ZYHUDNBSSA-N 2 0 329.366 1.561 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C[C@H](C)[NH2+]1 ZINC000911801095 593012740 /nfs/dbraw/zinc/01/27/40/593012740.db2.gz YHQCRQKMQIJKLE-JFGNBEQYSA-N 2 0 329.366 1.573 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911831983 593018859 /nfs/dbraw/zinc/01/88/59/593018859.db2.gz UQSZTDYDHYFXHA-UONOGXRCSA-N 2 0 342.281 1.809 20 0 EDADRP CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2C1 ZINC000911877649 593029317 /nfs/dbraw/zinc/02/93/17/593029317.db2.gz AVWSSALKASTKOQ-OCCSQVGLSA-N 2 0 332.448 1.017 20 0 EDADRP CC[N@H+]1[C@H](C)CN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C[C@@H]1C ZINC000912026813 593049422 /nfs/dbraw/zinc/04/94/22/593049422.db2.gz JXYZHFBDOIXBMK-OQSMONGASA-N 2 0 337.508 1.819 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+](C2CCOCC2)CC1)[NH+](CC)CC ZINC000912346664 593087788 /nfs/dbraw/zinc/08/77/88/593087788.db2.gz CVJASJXRKRKTDK-QGZVFWFLSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000810476038 593404315 /nfs/dbraw/zinc/40/43/15/593404315.db2.gz URJLVOGLDKWKSF-HZPDHXFCSA-N 2 0 331.501 1.752 20 0 EDADRP C[N@@H+]1CCCN(CCCNC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451392 593533692 /nfs/dbraw/zinc/53/36/92/593533692.db2.gz MVQGTHMEBHHAMU-SFHVURJKSA-N 2 0 342.503 1.343 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000817892042 593645677 /nfs/dbraw/zinc/64/56/77/593645677.db2.gz JDJGSWLZBLFICJ-NVXWUHKLSA-N 2 0 334.460 1.939 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817945743 593650904 /nfs/dbraw/zinc/65/09/04/593650904.db2.gz KPJKBKOREKEYCV-SECBINFHSA-N 2 0 331.247 1.658 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819033163 593734786 /nfs/dbraw/zinc/73/47/86/593734786.db2.gz KTNPSGLIPCLPKB-CZUORRHYSA-N 2 0 345.409 1.964 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3cc(F)ccc3F)C2)CC1 ZINC000819053207 593735825 /nfs/dbraw/zinc/73/58/25/593735825.db2.gz HTGKJEGDSRNTBB-KDOFPFPSSA-N 2 0 339.430 1.756 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000819055484 593736087 /nfs/dbraw/zinc/73/60/87/593736087.db2.gz VXTZLXRIUOEXSX-KDOFPFPSSA-N 2 0 339.430 1.756 20 0 EDADRP O[C@@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)COC1CCOCC1 ZINC000819138356 593740927 /nfs/dbraw/zinc/74/09/27/593740927.db2.gz QFQBLILVSXCDST-ABHNRTSZSA-N 2 0 340.508 1.930 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)c2c(F)cccc2F)CC1(C)C ZINC000819288063 593748674 /nfs/dbraw/zinc/74/86/74/593748674.db2.gz UMTDUSFBMQSNAL-HNNXBMFYSA-N 2 0 327.419 1.614 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819366962 593752061 /nfs/dbraw/zinc/75/20/61/593752061.db2.gz VBGHXSBUYZFFAH-WMLDXEAASA-N 2 0 340.489 1.445 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000820810397 593894758 /nfs/dbraw/zinc/89/47/58/593894758.db2.gz WGPOEQBTYQGDHL-GGPKGHCWSA-N 2 0 330.520 1.875 20 0 EDADRP CC(C)(O)c1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000830231732 594359359 /nfs/dbraw/zinc/35/93/59/594359359.db2.gz SZAIXDFHQWXDQZ-MRXNPFEDSA-N 2 0 333.476 1.591 20 0 EDADRP C[C@@H](C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000829272900 594590940 /nfs/dbraw/zinc/59/09/40/594590940.db2.gz MNYFKNWZRCTORH-BBWFWOEESA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCCCCC[NH3+] ZINC000831280730 594598549 /nfs/dbraw/zinc/59/85/49/594598549.db2.gz LCDIKEOUVJCMQA-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@]2(F)CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000829581297 594644847 /nfs/dbraw/zinc/64/48/47/594644847.db2.gz ZDPHUXMXJLJLST-BEFAXECRSA-N 2 0 349.450 1.704 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841017549 594839782 /nfs/dbraw/zinc/83/97/82/594839782.db2.gz FWEMEXPVYFSBCJ-QGZVFWFLSA-N 2 0 331.464 1.654 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+]1CCCCC1 ZINC000841019287 594840468 /nfs/dbraw/zinc/84/04/68/594840468.db2.gz GSQMHACMMMIPQP-CQSZACIVSA-N 2 0 344.459 1.261 20 0 EDADRP Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(Br)n1 ZINC000841151569 594859429 /nfs/dbraw/zinc/85/94/29/594859429.db2.gz IRTOZMWEYVHCJF-JTQLQIEISA-N 2 0 342.241 1.259 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841291784 594882218 /nfs/dbraw/zinc/88/22/18/594882218.db2.gz UYWRYEGARNLWPR-UHFFFAOYSA-N 2 0 336.436 1.256 20 0 EDADRP C[C@H](CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)[NH+]1CCCCC1 ZINC000841320990 594883943 /nfs/dbraw/zinc/88/39/43/594883943.db2.gz CMTBKRKIKPKKPY-UKRRQHHQSA-N 2 0 331.464 1.894 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000841833189 594959644 /nfs/dbraw/zinc/95/96/44/594959644.db2.gz SYBJDIHPSVKUAZ-FUHWJXTLSA-N 2 0 328.460 1.657 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847871 594964723 /nfs/dbraw/zinc/96/47/23/594964723.db2.gz WUNIMZMQMFJAJQ-CQSZACIVSA-N 2 0 345.443 1.924 20 0 EDADRP C[C@@]1(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CCC[NH2+]1 ZINC000841847257 594964886 /nfs/dbraw/zinc/96/48/86/594964886.db2.gz IGQYHBWBFGVGGX-SFHVURJKSA-N 2 0 331.416 1.676 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000841856617 594966430 /nfs/dbraw/zinc/96/64/30/594966430.db2.gz XWSUKJPIMKVXSY-RDHHWEPZSA-N 2 0 338.496 1.541 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CCc1ccccc1)CC[NH+](C)C ZINC000841990327 594996590 /nfs/dbraw/zinc/99/65/90/594996590.db2.gz WUOLXBBQWPAFSE-WMZOPIPTSA-N 2 0 332.492 1.800 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000841992786 594997455 /nfs/dbraw/zinc/99/74/55/594997455.db2.gz XIOYWFUFYNQLTA-GOSISDBHSA-N 2 0 346.475 1.283 20 0 EDADRP C[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)[NH+]1CCCCC1 ZINC000842015428 595003219 /nfs/dbraw/zinc/00/32/19/595003219.db2.gz LHJKTBMTHRCHBM-GDBMZVCRSA-N 2 0 338.496 1.001 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)CCc1ccccc1 ZINC000843339847 595079816 /nfs/dbraw/zinc/07/98/16/595079816.db2.gz HKYLALPXKMEEEI-KZNAEPCWSA-N 2 0 336.501 1.622 20 0 EDADRP CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC[C@H](C[NH3+])C1 ZINC000843348105 595082392 /nfs/dbraw/zinc/08/23/92/595082392.db2.gz VZQKZPWFIQDNAU-OAHLLOKOSA-N 2 0 346.475 1.682 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355406 595085174 /nfs/dbraw/zinc/08/51/74/595085174.db2.gz NDXRNZFYMWPWJN-VXLLPVPCSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(CC[N@H+]1CCCC[C@@H]1[C@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000843358425 595087314 /nfs/dbraw/zinc/08/73/14/595087314.db2.gz ONZCUAFDOOTLJO-IEBWSBKVSA-N 2 0 331.460 1.396 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CN1C[C@]3(C[NH+]4CCC3CC4)OC1=O)CCOCC2 ZINC000842639240 595152989 /nfs/dbraw/zinc/15/29/89/595152989.db2.gz QCBKENYKWBDXBH-KXBFYZLASA-N 2 0 349.475 1.752 20 0 EDADRP CCCCCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223108 595178354 /nfs/dbraw/zinc/17/83/54/595178354.db2.gz OMDFXXQTHXTPPC-YESZJQIVSA-N 2 0 325.497 1.901 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)Nc3ccc(O)cc3)C2)C1 ZINC000846226490 595179658 /nfs/dbraw/zinc/17/96/58/595179658.db2.gz ZMNPKMOJUPEVAR-JJRVBVJISA-N 2 0 333.432 1.549 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000837768928 595190775 /nfs/dbraw/zinc/19/07/75/595190775.db2.gz XDHIAMCGQHKBPJ-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844169639 595289790 /nfs/dbraw/zinc/28/97/90/595289790.db2.gz BLMHIKKKEVMANB-AEFFLSMTSA-N 2 0 331.460 1.754 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844175671 595292433 /nfs/dbraw/zinc/29/24/33/595292433.db2.gz KCKKCTUNDOAVKX-XHSDSOJGSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CO[C@H]2CCC[NH2+]C2)cc1 ZINC000844177658 595293714 /nfs/dbraw/zinc/29/37/14/595293714.db2.gz PZZMTAOJXCFHST-INIZCTEOSA-N 2 0 348.447 1.284 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000846664990 595295840 /nfs/dbraw/zinc/29/58/40/595295840.db2.gz CBBVXEWTKDXYOD-PBHICJAKSA-N 2 0 345.443 1.924 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1F ZINC000844188041 595297034 /nfs/dbraw/zinc/29/70/34/595297034.db2.gz MYWGXHFQCVBFIU-UHFFFAOYSA-N 2 0 346.410 1.656 20 0 EDADRP c1cc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)ccc1C[NH+]1CCCC1 ZINC000843172594 595298830 /nfs/dbraw/zinc/29/88/30/595298830.db2.gz FQUFPZONZYUBPH-MRXNPFEDSA-N 2 0 328.416 1.863 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)C1 ZINC000844226882 595309866 /nfs/dbraw/zinc/30/98/66/595309866.db2.gz RYEKSPHFDLDNRU-QZTJIDSGSA-N 2 0 341.459 1.986 20 0 EDADRP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178734 595371775 /nfs/dbraw/zinc/37/17/75/595371775.db2.gz SQZRJTBLUMCQML-AFIMGQEJSA-N 2 0 343.487 1.813 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000847318149 595394817 /nfs/dbraw/zinc/39/48/17/595394817.db2.gz BJKNYIGQHLKEBR-HYVNUMGLSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1ccc(CNC(=[NH2+])NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000849073812 595478211 /nfs/dbraw/zinc/47/82/11/595478211.db2.gz FOFTUGJEMLMHHA-KRWDZBQOSA-N 2 0 345.491 1.552 20 0 EDADRP CN(CCCNC(=[NH2+])Nc1ccc2c(c1)OCCCO2)CC[NH+](C)C ZINC000849081929 595479438 /nfs/dbraw/zinc/47/94/38/595479438.db2.gz QIFLQDDVWSJKBJ-UHFFFAOYSA-N 2 0 349.479 1.668 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485875 595547511 /nfs/dbraw/zinc/54/75/11/595547511.db2.gz YTIVCGHJJUJGSU-ZWKOTPCHSA-N 2 0 347.507 1.398 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486801 595547844 /nfs/dbraw/zinc/54/78/44/595547844.db2.gz JAKVYKLJGBDUTC-ROUUACIJSA-N 2 0 347.507 1.448 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541155 595560612 /nfs/dbraw/zinc/56/06/12/595560612.db2.gz LGWGVQRURRQOHI-MSOLQXFVSA-N 2 0 349.523 1.690 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cn1 ZINC000849586534 595582449 /nfs/dbraw/zinc/58/24/49/595582449.db2.gz PTMOTKRTPXFGEH-HOTGVXAUSA-N 2 0 333.480 1.008 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1F ZINC000852869484 595589187 /nfs/dbraw/zinc/58/91/87/595589187.db2.gz GDMPABLBDWGSSB-LLVKDONJSA-N 2 0 331.395 1.940 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C=C2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000852873352 595592456 /nfs/dbraw/zinc/59/24/56/595592456.db2.gz SYJNDHPRMTUJCP-IBGZPJMESA-N 2 0 342.487 1.401 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000855201156 595623976 /nfs/dbraw/zinc/62/39/76/595623976.db2.gz OTBBTKFKWRMJJI-UHFFFAOYSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248417 595742627 /nfs/dbraw/zinc/74/26/27/595742627.db2.gz SPOCUSOMYCNSTR-ZIAGYGMSSA-N 2 0 327.469 1.600 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cnn(-c2ccccc2)c1 ZINC000858466487 595803228 /nfs/dbraw/zinc/80/32/28/595803228.db2.gz GGWGGGMJZXLNSI-QAPCUYQASA-N 2 0 341.459 1.863 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000851672851 595879203 /nfs/dbraw/zinc/87/92/03/595879203.db2.gz IANCFVQNGDXTJR-KBRIMQKVSA-N 2 0 334.439 1.652 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854231950 596009684 /nfs/dbraw/zinc/00/96/84/596009684.db2.gz PRRRBIFLVUDQRX-XKQJLSEDSA-N 2 0 332.448 1.448 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000861555491 596028716 /nfs/dbraw/zinc/02/87/16/596028716.db2.gz OAONATIXOKHORE-AEFFLSMTSA-N 2 0 347.507 1.354 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)ccn1 ZINC000856638634 596040879 /nfs/dbraw/zinc/04/08/79/596040879.db2.gz XJSKWCOTKKONDE-SFHVURJKSA-N 2 0 348.491 1.853 20 0 EDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000852744940 596237403 /nfs/dbraw/zinc/23/74/03/596237403.db2.gz LKBDVZSZBSMSJS-HNNXBMFYSA-N 2 0 341.377 1.927 20 0 EDADRP CC(C)COC(=O)N1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852750335 596237926 /nfs/dbraw/zinc/23/79/26/596237926.db2.gz QLCPXLCIGVTAOU-HNNXBMFYSA-N 2 0 325.453 1.308 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000866659584 596283585 /nfs/dbraw/zinc/28/35/85/596283585.db2.gz OGNVRXDZHQWNPS-DOTOQJQBSA-N 2 0 346.475 1.499 20 0 EDADRP CC(=O)Nc1ccc2c(C[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)cc(=O)oc2c1 ZINC000866674038 596288350 /nfs/dbraw/zinc/28/83/50/596288350.db2.gz PWEFRBVNFXMANY-BXUZGUMPSA-N 2 0 329.400 1.778 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000866764221 596329325 /nfs/dbraw/zinc/32/93/25/596329325.db2.gz LQMGHGGZJFKPSW-QGZVFWFLSA-N 2 0 337.489 1.279 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000870865738 596382737 /nfs/dbraw/zinc/38/27/37/596382737.db2.gz HSXUVDAFJUQVMJ-SQGPQFPESA-N 2 0 327.472 1.937 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cn2)CC1 ZINC000870866793 596382854 /nfs/dbraw/zinc/38/28/54/596382854.db2.gz MWVUUYRMFQESGB-CALCHBBNSA-N 2 0 345.491 1.357 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000870882617 596388255 /nfs/dbraw/zinc/38/82/55/596388255.db2.gz QEXNJDOGCRACCX-SQGPQFPESA-N 2 0 343.471 1.387 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883813 596389195 /nfs/dbraw/zinc/38/91/95/596389195.db2.gz JBMHEGFQQCQJFB-AWEZNQCLSA-N 2 0 334.489 1.824 20 0 EDADRP Cc1csc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000867588983 596448465 /nfs/dbraw/zinc/44/84/65/596448465.db2.gz AHICRWRGBRRBKO-ZIAGYGMSSA-N 2 0 345.534 1.416 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000867588940 596448639 /nfs/dbraw/zinc/44/86/39/596448639.db2.gz KDCWBYYJFGGZJR-IAGOWNOFSA-N 2 0 345.553 1.568 20 0 EDADRP CN(Cc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867591255 596449504 /nfs/dbraw/zinc/44/95/04/596449504.db2.gz ZVVOPFSSSCSDDM-QZTJIDSGSA-N 2 0 332.492 1.910 20 0 EDADRP C[C@@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000865143355 596489830 /nfs/dbraw/zinc/48/98/30/596489830.db2.gz VYMMMONVEKBRTL-JSGCOSHPSA-N 2 0 342.484 1.040 20 0 EDADRP C[NH2+]CCOCC[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000863544349 596613798 /nfs/dbraw/zinc/61/37/98/596613798.db2.gz REZJCGFJZDBSFO-UHFFFAOYSA-N 2 0 335.448 1.613 20 0 EDADRP COc1cc(NC[C@H](O)C[NH+]2CCCC2)ccc1OCC[NH+](C)C ZINC000863559917 596619059 /nfs/dbraw/zinc/61/90/59/596619059.db2.gz YKICQFNNNXNJPB-INIZCTEOSA-N 2 0 337.464 1.504 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H](c2ccccc2)C1 ZINC000869776656 596626585 /nfs/dbraw/zinc/62/65/85/596626585.db2.gz QJBAZYAMTIIDPR-KSZLIROESA-N 2 0 345.487 1.293 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865619443 596629155 /nfs/dbraw/zinc/62/91/55/596629155.db2.gz UKKLIIRBYDSGOG-CQSZACIVSA-N 2 0 342.365 1.843 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000867982419 596644189 /nfs/dbraw/zinc/64/41/89/596644189.db2.gz AIOUUEPFZQTSGY-GDLCADMTSA-N 2 0 340.265 1.905 20 0 EDADRP CCCNc1cc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)ncn1 ZINC000865802017 596689987 /nfs/dbraw/zinc/68/99/87/596689987.db2.gz GHNQJCOKPZBHQM-GOOCMWNKSA-N 2 0 346.479 1.794 20 0 EDADRP Cc1cc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)n(C2CC[NH+](C)CC2)n1 ZINC000868130822 596697162 /nfs/dbraw/zinc/69/71/62/596697162.db2.gz SLHGQVWWKDSZGS-HOTGVXAUSA-N 2 0 346.479 1.816 20 0 EDADRP CO[C@H](Cc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018138 596710154 /nfs/dbraw/zinc/71/01/54/596710154.db2.gz WMFMOXFNXTUXFF-GUDVDZBRSA-N 2 0 347.503 1.442 20 0 EDADRP CCc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870020805 596711890 /nfs/dbraw/zinc/71/18/90/596711890.db2.gz GRERJGTYFJVWPD-RTBURBONSA-N 2 0 331.504 1.989 20 0 EDADRP CO[C@@](C)(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870021526 596712019 /nfs/dbraw/zinc/71/20/19/596712019.db2.gz HLCSZHUUKDNKNI-MBOZVWFJSA-N 2 0 347.503 1.746 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2ncc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870022794 596713363 /nfs/dbraw/zinc/71/33/63/596713363.db2.gz ZIBLSIAJUHAFCR-IAGOWNOFSA-N 2 0 343.475 1.234 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@@H](C)C1 ZINC000868180862 596713880 /nfs/dbraw/zinc/71/38/80/596713880.db2.gz UPNDRRXMIAHBQT-MGBSGCIJSA-N 2 0 332.448 1.420 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)cc2O)C[C@H]1C[NH+](C)C ZINC000870023529 596713911 /nfs/dbraw/zinc/71/39/11/596713911.db2.gz BMUOEJBQXRCBFU-CHWSQXEVSA-N 2 0 339.867 1.857 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nccc(N3CCCC3)n2)C[C@H]1C[NH+](C)C ZINC000866012448 596757575 /nfs/dbraw/zinc/75/75/75/596757575.db2.gz CLOHOYDZXJHNRN-HZPDHXFCSA-N 2 0 332.496 1.252 20 0 EDADRP Cc1ccn2cc(CNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)nc2c1 ZINC000868278236 596760281 /nfs/dbraw/zinc/76/02/81/596760281.db2.gz AJVGIMFLFVTJRL-GDBMZVCRSA-N 2 0 327.432 1.878 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCN(C)c2ncccc2C1 ZINC000868281877 596762428 /nfs/dbraw/zinc/76/24/28/596762428.db2.gz VSHBALQDASAGBX-MRXNPFEDSA-N 2 0 347.463 1.154 20 0 EDADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156236 596815713 /nfs/dbraw/zinc/81/57/13/596815713.db2.gz GTKMJRZSWAKPCT-HOCLYGCPSA-N 2 0 331.526 1.497 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1OC ZINC000872255400 596856287 /nfs/dbraw/zinc/85/62/87/596856287.db2.gz VVLCEAQYOUIVJD-CPUCHLNUSA-N 2 0 347.415 1.071 20 0 EDADRP CCOc1ccccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255274 596856616 /nfs/dbraw/zinc/85/66/16/596856616.db2.gz UFCXCZNATOFMIA-UXLLHSPISA-N 2 0 331.416 1.452 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1F ZINC000872304669 596875212 /nfs/dbraw/zinc/87/52/12/596875212.db2.gz ZOFVXMQBWGDYNY-AFKZWXFASA-N 2 0 347.434 1.523 20 0 EDADRP CCOCC(C)(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875587974 596906946 /nfs/dbraw/zinc/90/69/46/596906946.db2.gz MLWOWJVFDBZPQK-HZPDHXFCSA-N 2 0 342.528 1.430 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Cc1ccccc1 ZINC000874431975 597075643 /nfs/dbraw/zinc/07/56/43/597075643.db2.gz DYBJAYRSWUUUOZ-OKZBNKHCSA-N 2 0 330.476 1.695 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000874467735 597092936 /nfs/dbraw/zinc/09/29/36/597092936.db2.gz OQCYMUMCSFPWME-KRWDZBQOSA-N 2 0 335.492 1.622 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)n1C ZINC000873055372 597173523 /nfs/dbraw/zinc/17/35/23/597173523.db2.gz HYPXTLZQZHMZGA-HUUCEWRRSA-N 2 0 337.464 1.791 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874838638 597192969 /nfs/dbraw/zinc/19/29/69/597192969.db2.gz QHXYSZAFTWYCNI-GGPKGHCWSA-N 2 0 343.471 1.319 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1c(C[NH3+])cnn1C)c1ccccc1 ZINC000876503431 597223878 /nfs/dbraw/zinc/22/38/78/597223878.db2.gz JRJWOVYJUGCKCI-INIZCTEOSA-N 2 0 329.448 1.692 20 0 EDADRP COC(=O)CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@H]1CCCO1 ZINC000873205396 597226896 /nfs/dbraw/zinc/22/68/96/597226896.db2.gz NXIMVPSFKAKLLM-CQSZACIVSA-N 2 0 338.473 1.938 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521111 597229400 /nfs/dbraw/zinc/22/94/00/597229400.db2.gz HHTXRJPDQRQGCS-XNRPHZJLSA-N 2 0 345.443 1.907 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876539501 597232770 /nfs/dbraw/zinc/23/27/70/597232770.db2.gz ILVAQWSUMOAVOG-KGLIPLIRSA-N 2 0 334.489 1.885 20 0 EDADRP CC(C)OCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000874990262 597233816 /nfs/dbraw/zinc/23/38/16/597233816.db2.gz XFXKQBCXVJTLPB-HZPDHXFCSA-N 2 0 328.501 1.182 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247060 597238909 /nfs/dbraw/zinc/23/89/09/597238909.db2.gz HMVDJXXQYRCABO-FZKQIMNGSA-N 2 0 326.448 1.298 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000873263704 597242773 /nfs/dbraw/zinc/24/27/73/597242773.db2.gz YNUXFCYMTMQHHJ-ZBFHGGJFSA-N 2 0 325.478 1.244 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cn2)CC1 ZINC000873334344 597259824 /nfs/dbraw/zinc/25/98/24/597259824.db2.gz UJFPPCRJYGFWMO-NVXWUHKLSA-N 2 0 332.452 1.556 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709483 597297290 /nfs/dbraw/zinc/29/72/90/597297290.db2.gz SDNLVNLZZWBLNG-INIZCTEOSA-N 2 0 327.432 1.446 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)C[NH+](C)C ZINC000876719151 597303198 /nfs/dbraw/zinc/30/31/98/597303198.db2.gz DQPBHUJDDAWCPZ-QAPCUYQASA-N 2 0 332.492 1.566 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000876728124 597309145 /nfs/dbraw/zinc/30/91/45/597309145.db2.gz GJALQOMZUXPISN-KGLIPLIRSA-N 2 0 325.522 1.838 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1(F)F ZINC000876738445 597314872 /nfs/dbraw/zinc/31/48/72/597314872.db2.gz DPMSSCFTCMWKKO-ZIAGYGMSSA-N 2 0 343.443 1.916 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H](N)C[NH+](C)C)CCCC1)c1ccccc1 ZINC000876763107 597328376 /nfs/dbraw/zinc/32/83/76/597328376.db2.gz MYUKQKMJURQSBP-RDJZCZTQSA-N 2 0 332.492 1.655 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876764158 597329123 /nfs/dbraw/zinc/32/91/23/597329123.db2.gz KNHSJGMVGJRDDO-CABCVRRESA-N 2 0 327.444 1.085 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000876781621 597338471 /nfs/dbraw/zinc/33/84/71/597338471.db2.gz PRHXOZWYHHUTNZ-SKHCZCESSA-N 2 0 342.487 1.928 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000876786945 597340188 /nfs/dbraw/zinc/34/01/88/597340188.db2.gz MHZVYWNMFMCKTM-AWEZNQCLSA-N 2 0 334.489 1.885 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876791829 597341502 /nfs/dbraw/zinc/34/15/02/597341502.db2.gz PEZOBTSVVBNEOF-INIZCTEOSA-N 2 0 333.480 1.578 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000876794708 597343156 /nfs/dbraw/zinc/34/31/56/597343156.db2.gz ZWQQVOIJFQFBNV-HNNXBMFYSA-N 2 0 340.431 1.409 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876904290 597378648 /nfs/dbraw/zinc/37/86/48/597378648.db2.gz XYJIHHZKQLGTGL-SZMVWBNQSA-N 2 0 349.450 1.896 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(N3CCOC3=O)c2)CC1 ZINC000876960724 597397710 /nfs/dbraw/zinc/39/77/10/597397710.db2.gz LNJQZWHBTMRLSV-UHFFFAOYSA-N 2 0 347.459 1.968 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877019380 597413298 /nfs/dbraw/zinc/41/32/98/597413298.db2.gz LSLYKQRPKWMWIT-UHFFFAOYSA-N 2 0 325.478 1.546 20 0 EDADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000877142895 597442266 /nfs/dbraw/zinc/44/22/66/597442266.db2.gz AARFQYFMTMINFR-AITUJVMLSA-N 3 0 346.519 1.520 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NOC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000875513736 597460859 /nfs/dbraw/zinc/46/08/59/597460859.db2.gz LNNBBUVCKYSHGC-HUUCEWRRSA-N 2 0 326.485 1.632 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]([NH3+])Cc3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877236044 597473588 /nfs/dbraw/zinc/47/35/88/597473588.db2.gz UOXWBPRWWVPZTR-IPMKNSEASA-N 2 0 339.439 1.518 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)ccc21 ZINC000877288121 597487418 /nfs/dbraw/zinc/48/74/18/597487418.db2.gz NPXZVSQODAFBCK-WMZOPIPTSA-N 2 0 326.444 1.957 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000877374667 597504166 /nfs/dbraw/zinc/50/41/66/597504166.db2.gz NAMKCRUDXNXAFL-WSTZPKSXSA-N 2 0 327.472 1.967 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000877444005 597516136 /nfs/dbraw/zinc/51/61/36/597516136.db2.gz HYKHLWHSWQGQJI-IEZWGBDMSA-N 2 0 337.508 1.759 20 0 EDADRP COCC[N@@H+](Cc1cc(C(N)=O)cs1)CC1CC[NH+](C)CC1 ZINC000877665356 597546111 /nfs/dbraw/zinc/54/61/11/597546111.db2.gz SBUHOXIUTUPZMI-UHFFFAOYSA-N 2 0 325.478 1.637 20 0 EDADRP Cc1nn(C)c(Cl)c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877668948 597546484 /nfs/dbraw/zinc/54/64/84/597546484.db2.gz RPHFBTVFEOXFSQ-ZIAGYGMSSA-N 2 0 327.904 1.553 20 0 EDADRP Cn1nc(C(F)(F)F)cc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877671240 597546530 /nfs/dbraw/zinc/54/65/30/597546530.db2.gz UFUWHNNVEGBUBX-CHWSQXEVSA-N 2 0 347.429 1.610 20 0 EDADRP CC(C)[C@H](O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000878118319 597579850 /nfs/dbraw/zinc/57/98/50/597579850.db2.gz LPXYUXUIBUNHDH-QGZVFWFLSA-N 2 0 341.540 1.809 20 0 EDADRP C[NH+]1CC[C@@H]2CN(C/C=C\CN3CC[C@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879577944 597640551 /nfs/dbraw/zinc/64/05/51/597640551.db2.gz OREFNVBZFSWAOG-WSQFCIIPSA-N 2 0 332.536 1.595 20 0 EDADRP CC1(C)C[C@@H](O)C[N@H+](CCOCC[NH+]2C[C@@H](O)CC(C)(C)C2)C1 ZINC000879621993 597662213 /nfs/dbraw/zinc/66/22/13/597662213.db2.gz JZLPLUVMFDPXEW-IYBDPMFKSA-N 2 0 328.497 1.189 20 0 EDADRP COC[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000883178698 597678366 /nfs/dbraw/zinc/67/83/66/597678366.db2.gz CGZAOSFIPSOOJT-ZWKOTPCHSA-N 2 0 348.491 1.365 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C1CC1 ZINC000883285187 597699680 /nfs/dbraw/zinc/69/96/80/597699680.db2.gz IXRXMXQXKOLUOO-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000878829929 597727083 /nfs/dbraw/zinc/72/70/83/597727083.db2.gz NBOJFSPICBURJO-XJKSGUPXSA-N 2 0 326.404 1.825 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883585658 597813398 /nfs/dbraw/zinc/81/33/98/597813398.db2.gz URZUVVKSCQVMGG-IIDMSEBBSA-N 2 0 343.475 1.830 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N[C@H]1CC[NH2+]C1 ZINC000883585580 597813667 /nfs/dbraw/zinc/81/36/67/597813667.db2.gz RHDSKEHMXDQRHE-DOTOQJQBSA-N 2 0 329.448 1.454 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)COC1CCOCC1)CC2 ZINC000879248990 597864172 /nfs/dbraw/zinc/86/41/72/597864172.db2.gz AYZBQMXRXWDBQV-MRXNPFEDSA-N 2 0 326.481 1.351 20 0 EDADRP CC[NH+](CC)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378740 597951084 /nfs/dbraw/zinc/95/10/84/597951084.db2.gz HXTVCTXFUKKSPM-UHFFFAOYSA-N 2 0 347.503 1.862 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CC2(C)CCC2)C[C@H]1C[NH+](C)C ZINC000882471537 597968632 /nfs/dbraw/zinc/96/86/32/597968632.db2.gz VQNOHWVXNKXYAW-HUUCEWRRSA-N 2 0 331.526 1.178 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000884019049 597969487 /nfs/dbraw/zinc/96/94/87/597969487.db2.gz KJSUPOCJNVUWIE-JKOKRWQUSA-N 2 0 340.265 1.953 20 0 EDADRP [NH3+][C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000884027335 597972126 /nfs/dbraw/zinc/97/21/26/597972126.db2.gz ZCWYLMGAJIXAIX-ZWNOBZJWSA-N 2 0 326.238 1.565 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000884037582 597974153 /nfs/dbraw/zinc/97/41/53/597974153.db2.gz FOISCRJGNZMTLX-HNNXBMFYSA-N 2 0 343.475 1.929 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)CCCCC1 ZINC000884052775 597979203 /nfs/dbraw/zinc/97/92/03/597979203.db2.gz BKECPBCZUPUNRR-UHFFFAOYSA-N 2 0 345.491 1.486 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000884187864 598019194 /nfs/dbraw/zinc/01/91/94/598019194.db2.gz RJIZZWROAMIIAU-MPGHIAIKSA-N 2 0 333.476 1.754 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000884221379 598033597 /nfs/dbraw/zinc/03/35/97/598033597.db2.gz QLYZDZFAKGAVKE-OAHLLOKOSA-N 2 0 325.522 1.982 20 0 EDADRP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1=CC[N@H+](C)CC1 ZINC000884261579 598046118 /nfs/dbraw/zinc/04/61/18/598046118.db2.gz OWZZFJOBTKOMKN-HZPDHXFCSA-N 2 0 343.475 1.952 20 0 EDADRP CCC[C@@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000884378320 598086236 /nfs/dbraw/zinc/08/62/36/598086236.db2.gz OWDVTGAQFHBEKQ-CVEARBPZSA-N 2 0 327.513 1.955 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)C(C)(C)C ZINC000884488191 598118647 /nfs/dbraw/zinc/11/86/47/598118647.db2.gz QBGXDUCWMYFKOH-KKUMJFAQSA-N 2 0 340.512 1.103 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000884488061 598118709 /nfs/dbraw/zinc/11/87/09/598118709.db2.gz MZXRLJYQYNZLRB-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP CN(CCCN(C)C(=O)C[N@H+](C)C1CCC1)C(=O)CCC[NH+](C)C ZINC001067671014 695179947 /nfs/dbraw/zinc/17/99/47/695179947.db2.gz QWSUWFQJXVTCPL-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP Cc1cncn1CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992746059 695272720 /nfs/dbraw/zinc/27/27/20/695272720.db2.gz JGPDBZXYRJGKHR-UAGQMJEPSA-N 2 0 343.431 1.596 20 0 EDADRP C[C@H](NS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C[NH+](C)C ZINC000914237092 695295630 /nfs/dbraw/zinc/29/56/30/695295630.db2.gz MYAMTCCVVIDVIC-HOCLYGCPSA-N 2 0 331.526 1.368 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914407798 695391374 /nfs/dbraw/zinc/39/13/74/695391374.db2.gz WUPLSSOXWHTQDY-IKGGRYGDSA-N 2 0 343.537 1.512 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)CN2CCc3sccc3C2)CC[N@@H+]1CCO ZINC000948061638 696012177 /nfs/dbraw/zinc/01/21/77/696012177.db2.gz XNCNFBJVHCEFMU-ZFWWWQNUSA-N 2 0 337.489 1.068 20 0 EDADRP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993367613 696015692 /nfs/dbraw/zinc/01/56/92/696015692.db2.gz QPFVWLSCEJXRAH-SJORKVTESA-N 2 0 347.507 1.994 20 0 EDADRP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccon1 ZINC000993927387 696446901 /nfs/dbraw/zinc/44/69/01/696446901.db2.gz LWSSPKVJZFZGNI-YOEHRIQHSA-N 2 0 334.464 1.876 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC000993980943 696480511 /nfs/dbraw/zinc/48/05/11/696480511.db2.gz CIYIODISBHEGGF-QAPCUYQASA-N 2 0 333.476 1.977 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@@H+]1CCC1CC1 ZINC000993993048 696485114 /nfs/dbraw/zinc/48/51/14/696485114.db2.gz YEXRXFPBGNZSKQ-YJBOKZPZSA-N 2 0 347.507 1.828 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCCC[NH+]1CCOCC1 ZINC000916012075 696613318 /nfs/dbraw/zinc/61/33/18/696613318.db2.gz ATYMHZILSWEGAJ-HNNXBMFYSA-N 2 0 328.526 1.047 20 0 EDADRP C[NH+](C)CCCNC(=S)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000916546131 696676072 /nfs/dbraw/zinc/67/60/72/696676072.db2.gz NNDJVXIBMRHENA-OAHLLOKOSA-N 2 0 326.485 1.844 20 0 EDADRP C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000994504104 696941930 /nfs/dbraw/zinc/94/19/30/696941930.db2.gz GOABPHZXPOBVIU-YJBOKZPZSA-N 2 0 342.443 1.545 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031580828 697278469 /nfs/dbraw/zinc/27/84/69/697278469.db2.gz WODADIDUELGQOY-LJQANCHMSA-N 2 0 327.472 1.818 20 0 EDADRP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001031585180 697280859 /nfs/dbraw/zinc/28/08/59/697280859.db2.gz RHMNBGGJGLIQGI-KRWDZBQOSA-N 2 0 331.460 1.516 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000925476617 697388680 /nfs/dbraw/zinc/38/86/80/697388680.db2.gz HLJCKTOWJWZVSM-OAHLLOKOSA-N 2 0 342.447 1.191 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)CCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000920768422 697476802 /nfs/dbraw/zinc/47/68/02/697476802.db2.gz NHNVNXZLZIQKDY-CALCHBBNSA-N 2 0 325.497 1.868 20 0 EDADRP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cs1 ZINC001031688813 697527267 /nfs/dbraw/zinc/52/72/67/697527267.db2.gz LLLOBYWUTLXOPM-IAGOWNOFSA-N 2 0 349.500 1.468 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C[N@@H+]1C1CC1 ZINC000921382454 697581320 /nfs/dbraw/zinc/58/13/20/697581320.db2.gz DJXYVUKRJTZPRG-CLWVCHIJSA-N 2 0 338.521 1.491 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001031729358 698051610 /nfs/dbraw/zinc/05/16/10/698051610.db2.gz LJAWWBIKVFXSSG-QZTJIDSGSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516046 698430037 /nfs/dbraw/zinc/43/00/37/698430037.db2.gz KEAHXBJJBPJXJT-YJBOKZPZSA-N 2 0 347.507 1.685 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940111700 700226266 /nfs/dbraw/zinc/22/62/66/700226266.db2.gz NKDVHFKMWXDJMT-DOTOQJQBSA-N 2 0 335.492 1.335 20 0 EDADRP CCOC(=O)[C@@]1(C)CC(=O)N(C[N@H+](C)CC2CC[NH+](C)CC2)C1 ZINC000184869472 698534115 /nfs/dbraw/zinc/53/41/15/698534115.db2.gz SHKMUGGDNKZINV-KRWDZBQOSA-N 2 0 325.453 1.019 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)ncn1 ZINC000939064255 699131521 /nfs/dbraw/zinc/13/15/21/699131521.db2.gz SYNANORFGLTUQF-GUYCJALGSA-N 2 0 331.464 1.063 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939127360 699205226 /nfs/dbraw/zinc/20/52/26/699205226.db2.gz COWKTNSKMLSFLV-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)c1 ZINC001031813247 699491036 /nfs/dbraw/zinc/49/10/36/699491036.db2.gz RJMAJHOGANRMRA-UHFFFAOYSA-N 2 0 343.471 1.872 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939398769 699548043 /nfs/dbraw/zinc/54/80/43/699548043.db2.gz QZCWCTNTCCKGAC-IRXDYDNUSA-N 2 0 333.480 1.052 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939399174 699548584 /nfs/dbraw/zinc/54/85/84/699548584.db2.gz WAQSDTNPYHQGAK-YOEHRIQHSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639734 701603190 /nfs/dbraw/zinc/60/31/90/701603190.db2.gz XNMSGMFOJSFSMC-KRWDZBQOSA-N 2 0 336.524 1.203 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939547585 699673019 /nfs/dbraw/zinc/67/30/19/699673019.db2.gz YAZBLIIEHBCQMN-BBRMVZONSA-N 2 0 332.448 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@H]1[NH2+]Cc1ccn(C)n1 ZINC000939541409 699682102 /nfs/dbraw/zinc/68/21/02/699682102.db2.gz NNZLEAYPHMVHPO-TZMCWYRMSA-N 2 0 330.436 1.058 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939546818 699688912 /nfs/dbraw/zinc/68/89/12/699688912.db2.gz UNBBGHIWMJGRHI-BLLLJJGKSA-N 2 0 332.448 1.324 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)sn1 ZINC000939753539 699903081 /nfs/dbraw/zinc/90/30/81/699903081.db2.gz GONUKFLYULHZPP-JSGCOSHPSA-N 2 0 338.477 1.184 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)s1 ZINC000939754633 699904850 /nfs/dbraw/zinc/90/48/50/699904850.db2.gz NUGMVBPQMCJBTF-WFASDCNBSA-N 2 0 336.505 1.792 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941677713 701616089 /nfs/dbraw/zinc/61/60/89/701616089.db2.gz UXMGCQUBTHJKII-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000939756542 699922881 /nfs/dbraw/zinc/92/28/81/699922881.db2.gz VBDDRMVYNQHHQJ-OLZOCXBDSA-N 2 0 339.871 1.106 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939808466 699957125 /nfs/dbraw/zinc/95/71/25/699957125.db2.gz DVWCCROJVNNRDQ-SJORKVTESA-N 2 0 347.507 1.716 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)on1 ZINC000939808582 699957443 /nfs/dbraw/zinc/95/74/43/699957443.db2.gz FNHGSNFTPXGGMH-PBHICJAKSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)n1 ZINC000939812924 699960444 /nfs/dbraw/zinc/96/04/44/699960444.db2.gz WSPDKCKSHWEYRJ-SJLPKXTDSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3c[nH]cn3)CC2)on1 ZINC000940145060 700275273 /nfs/dbraw/zinc/27/52/73/700275273.db2.gz RSKITPBSCDWJRM-UHFFFAOYSA-N 2 0 331.420 1.810 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000940178059 700311458 /nfs/dbraw/zinc/31/14/58/700311458.db2.gz BATDOWFREYWGIN-INIZCTEOSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000940296621 700468703 /nfs/dbraw/zinc/46/87/03/700468703.db2.gz QLMLTWCWUOPTNE-WBVHZDCISA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cn(C)nc2C)CC1)[NH+](C)C ZINC000940337258 700495085 /nfs/dbraw/zinc/49/50/85/700495085.db2.gz CFNVMGGPRKVNNE-INIZCTEOSA-N 2 0 335.496 1.539 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328021 700506005 /nfs/dbraw/zinc/50/60/05/700506005.db2.gz CNSPKUZDPHGUEN-MRXNPFEDSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940328977 700507727 /nfs/dbraw/zinc/50/77/27/700507727.db2.gz PGMNFCVZLLDTDE-OAHLLOKOSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940329243 700508356 /nfs/dbraw/zinc/50/83/56/700508356.db2.gz SGAAFKLWWVRLRH-CYBMUJFWSA-N 2 0 335.452 1.333 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000940329228 700508383 /nfs/dbraw/zinc/50/83/83/700508383.db2.gz RTZMVMBVIFKZDX-MRXNPFEDSA-N 2 0 347.507 1.858 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000940329868 700509337 /nfs/dbraw/zinc/50/93/37/700509337.db2.gz YYKAPXVPWKFPHQ-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426078 700619550 /nfs/dbraw/zinc/61/95/50/700619550.db2.gz FBSZPQIPDWLBAB-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000940426092 700619739 /nfs/dbraw/zinc/61/97/39/700619739.db2.gz FLEPLCWSCPUUHR-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940426530 700620680 /nfs/dbraw/zinc/62/06/80/700620680.db2.gz VGDZVAXZTJHBOV-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428180 700622547 /nfs/dbraw/zinc/62/25/47/700622547.db2.gz WYMUWXNKVWPZEQ-INIZCTEOSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000940471985 700657177 /nfs/dbraw/zinc/65/71/77/700657177.db2.gz FINSGYAVJCUELF-UHFFFAOYSA-N 2 0 348.495 1.460 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940472488 700657891 /nfs/dbraw/zinc/65/78/91/700657891.db2.gz YVNCCSBGKRIJCT-KBPBESRZSA-N 2 0 335.452 1.413 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C4CC4)o3)CC2)C1 ZINC000940457564 700661222 /nfs/dbraw/zinc/66/12/22/700661222.db2.gz KMVMQNJOVHRVRQ-AWEZNQCLSA-N 2 0 347.463 1.369 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940457893 700661737 /nfs/dbraw/zinc/66/17/37/700661737.db2.gz YXYCLJSVSCHCJF-CQSZACIVSA-N 2 0 349.479 1.615 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000940482572 700670370 /nfs/dbraw/zinc/67/03/70/700670370.db2.gz FJPOPMUIOZGJEN-UHFFFAOYSA-N 2 0 328.420 1.152 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995079213 700684157 /nfs/dbraw/zinc/68/41/57/700684157.db2.gz NLGMOJJFQYOYRC-QAPCUYQASA-N 2 0 347.507 1.445 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)C1 ZINC001031919050 701041108 /nfs/dbraw/zinc/04/11/08/701041108.db2.gz LTJOQKSGBLDKRN-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940991968 701044519 /nfs/dbraw/zinc/04/45/19/701044519.db2.gz UPHHHHFQQGBMIB-HNNXBMFYSA-N 2 0 337.464 1.554 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000995119577 701110654 /nfs/dbraw/zinc/11/06/54/701110654.db2.gz LZWPUOBETTWKSW-AEFFLSMTSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995171247 701694034 /nfs/dbraw/zinc/69/40/34/701694034.db2.gz ZKXYPUPABZEGKH-KBPBESRZSA-N 2 0 349.504 1.317 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999168223 706595701 /nfs/dbraw/zinc/59/57/01/706595701.db2.gz GYVKYTMVQCJWGB-ABHNRTSZSA-N 2 0 346.475 1.936 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999168200 706595709 /nfs/dbraw/zinc/59/57/09/706595709.db2.gz FSVDCYVBWNEHIH-ROUUACIJSA-N 2 0 328.460 1.504 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169165 706597465 /nfs/dbraw/zinc/59/74/65/706597465.db2.gz DIWPPSYPLQWNPD-LSDHHAIUSA-N 2 0 349.504 1.269 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169162 706597569 /nfs/dbraw/zinc/59/75/69/706597569.db2.gz DIWPPSYPLQWNPD-HUUCEWRRSA-N 2 0 349.504 1.269 20 0 EDADRP Cc1noc(C)c1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216143 701402604 /nfs/dbraw/zinc/40/26/04/701402604.db2.gz CJFSEICTXRTJKD-WBVHZDCISA-N 2 0 348.491 1.960 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408633 701521044 /nfs/dbraw/zinc/52/10/44/701521044.db2.gz NQZJDUBNFUWMKC-SJORKVTESA-N 2 0 334.508 1.098 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCN(C3C[NH+](CCC4CC4)C3)CC2)CCC1 ZINC000941437237 701540438 /nfs/dbraw/zinc/54/04/38/701540438.db2.gz WVYYXUNGEHVZNZ-UHFFFAOYSA-N 2 0 334.508 1.099 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456913 701543183 /nfs/dbraw/zinc/54/31/83/701543183.db2.gz VSNARCMGWOYLCM-MJGOQNOKSA-N 2 0 348.535 1.488 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031976532 701966910 /nfs/dbraw/zinc/96/69/10/701966910.db2.gz OAJYPPFPUIZVFN-KSSFIOAISA-N 2 0 340.471 1.914 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000944046919 702011261 /nfs/dbraw/zinc/01/12/61/702011261.db2.gz MKRVZKGZDWXQPH-YJBOKZPZSA-N 2 0 337.508 1.317 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821578 702090548 /nfs/dbraw/zinc/09/05/48/702090548.db2.gz JGANEOVMBSNTLZ-HOTGVXAUSA-N 2 0 345.491 1.089 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1)C1CC1 ZINC000995900634 702207088 /nfs/dbraw/zinc/20/70/88/702207088.db2.gz YRKDUZCNTHZQPP-IRXDYDNUSA-N 2 0 348.466 1.888 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995886865 702223239 /nfs/dbraw/zinc/22/32/39/702223239.db2.gz OJJHBOJQSMDDCS-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1)[NH+](C)C ZINC000995925595 702251885 /nfs/dbraw/zinc/25/18/85/702251885.db2.gz KXEILDMAHYXKAT-IRXDYDNUSA-N 2 0 332.492 1.994 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)nn1C ZINC000995930095 702260427 /nfs/dbraw/zinc/26/04/27/702260427.db2.gz ZJOSRMSKTZMILO-IRXDYDNUSA-N 2 0 349.523 1.641 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2nccnc2C)C(C)(C)C1)[NH+](C)C ZINC000995946005 702292649 /nfs/dbraw/zinc/29/26/49/702292649.db2.gz FNQHTRLPOVKRRL-CVEARBPZSA-N 2 0 333.480 1.452 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)cn2)C(C)(C)C1)[NH+](C)C ZINC000995949328 702301270 /nfs/dbraw/zinc/30/12/70/702301270.db2.gz MHURNTJHVWCRTQ-HZPDHXFCSA-N 2 0 333.480 1.452 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCC(F)(F)C3)C2)C1 ZINC001032185789 702308753 /nfs/dbraw/zinc/30/87/53/702308753.db2.gz CBYHOIPNZXZGRP-UKRRQHHQSA-N 2 0 329.435 1.812 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3CC)C2)CC[N@@H+]1C ZINC000999211223 706663836 /nfs/dbraw/zinc/66/38/36/706663836.db2.gz XQAULDCCNSCOFR-IXDOHACOSA-N 2 0 347.507 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)ncn3)C2)CC[N@@H+]1C ZINC000999211286 706664025 /nfs/dbraw/zinc/66/40/25/706664025.db2.gz YCOJDBKUJNMVMG-BPQIPLTHSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@H]([NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C)C(N)=O ZINC000996044522 702439000 /nfs/dbraw/zinc/43/90/00/702439000.db2.gz TWNNIVNPYISALH-GJZGRUSLSA-N 2 0 343.431 1.038 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000996199259 702625785 /nfs/dbraw/zinc/62/57/85/702625785.db2.gz YZJILNQKVNURGV-ULQDDVLXSA-N 2 0 347.507 1.440 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCCO3)C(C)(C)C2)CC1 ZINC000996221967 702632448 /nfs/dbraw/zinc/63/24/48/702632448.db2.gz LKKLBKZGNGSUNW-IAGOWNOFSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)on1 ZINC000996233943 702642277 /nfs/dbraw/zinc/64/22/77/702642277.db2.gz BONBSBYCYUTSTN-MRXNPFEDSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)CC1 ZINC000996249440 702651798 /nfs/dbraw/zinc/65/17/98/702651798.db2.gz PPQNVVVGXWMLPH-KRWDZBQOSA-N 2 0 348.466 1.889 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995209321 702674703 /nfs/dbraw/zinc/67/47/03/702674703.db2.gz JYLFGTAZRFHTJJ-KGLIPLIRSA-N 2 0 337.493 1.317 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996299871 702690744 /nfs/dbraw/zinc/69/07/44/702690744.db2.gz FZSLOHOFGNRJOT-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996300456 702691522 /nfs/dbraw/zinc/69/15/22/702691522.db2.gz MPFDWBIWXDPIIU-DOTOQJQBSA-N 2 0 330.476 1.893 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCF)C(C)(C)C2)C1 ZINC000996300452 702691729 /nfs/dbraw/zinc/69/17/29/702691729.db2.gz MONDMIOXMNQJLN-CXAGYDPISA-N 2 0 331.451 1.995 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)C1 ZINC000996300436 702691871 /nfs/dbraw/zinc/69/18/71/702691871.db2.gz MFDVIFXRKBQQBU-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301478 702693311 /nfs/dbraw/zinc/69/33/11/702693311.db2.gz UDUULIYMWLVKEE-LSDHHAIUSA-N 2 0 331.464 1.288 20 0 EDADRP Cc1cnc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)nc1 ZINC000996301452 702693316 /nfs/dbraw/zinc/69/33/16/702693316.db2.gz SZPIEHBEFUHQGR-GDBMZVCRSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302774 702694698 /nfs/dbraw/zinc/69/46/98/702694698.db2.gz ZGEKPYFXXQTAIB-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000996315607 702703775 /nfs/dbraw/zinc/70/37/75/702703775.db2.gz PVMQYUHXPGHPPN-JKSUJKDBSA-N 2 0 335.496 1.129 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996463351 702790482 /nfs/dbraw/zinc/79/04/82/702790482.db2.gz FIDSWOZXIWJRMO-KRWDZBQOSA-N 2 0 333.480 1.374 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465101 702792204 /nfs/dbraw/zinc/79/22/04/702792204.db2.gz QJBOHWFRJIVDEF-SFHVURJKSA-N 2 0 347.507 1.856 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479062 702810654 /nfs/dbraw/zinc/81/06/54/702810654.db2.gz VJWXNDHFLMETDX-NVXWUHKLSA-N 2 0 345.491 1.375 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)CC1 ZINC000996471364 702824401 /nfs/dbraw/zinc/82/44/01/702824401.db2.gz KPXSZQGVRUOTNY-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518600 702854351 /nfs/dbraw/zinc/85/43/51/702854351.db2.gz LXLGVSYJCFZKAA-NVXWUHKLSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)sn1 ZINC000996612390 702917601 /nfs/dbraw/zinc/91/76/01/702917601.db2.gz QUZKYNFCAXAMAV-HNNXBMFYSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996677441 702976597 /nfs/dbraw/zinc/97/65/97/702976597.db2.gz JPTCOTSMXDQUDY-QGZVFWFLSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996679165 702978296 /nfs/dbraw/zinc/97/82/96/702978296.db2.gz QCAFIRUPDMWBIX-INIZCTEOSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC000996725097 703019618 /nfs/dbraw/zinc/01/96/18/703019618.db2.gz RJOATFHIIKFKTO-QGZVFWFLSA-N 2 0 331.464 1.350 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(NCc2nc(C3CC3)no2)CC1 ZINC000996730186 703026867 /nfs/dbraw/zinc/02/68/67/703026867.db2.gz QELJACQUVVFDIR-HNNXBMFYSA-N 2 0 347.463 1.512 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996730504 703027235 /nfs/dbraw/zinc/02/72/35/703027235.db2.gz UJDQSSOSVHVSOY-INIZCTEOSA-N 2 0 348.495 1.171 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCN(CCF)CC2)CC1 ZINC000996764220 703056569 /nfs/dbraw/zinc/05/65/69/703056569.db2.gz LKTUFLVIPCNUIH-JCYILVPMSA-N 2 0 340.487 1.095 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996765526 703056725 /nfs/dbraw/zinc/05/67/25/703056725.db2.gz DEERCKXEVYNEFK-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996770834 703065892 /nfs/dbraw/zinc/06/58/92/703065892.db2.gz OWLCHDLRSIGHID-UHFFFAOYSA-N 2 0 331.464 1.129 20 0 EDADRP Cc1nonc1CN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556176 703070133 /nfs/dbraw/zinc/07/01/33/703070133.db2.gz WLTMVIWZUBHVRO-HIFRSBDPSA-N 2 0 349.479 1.579 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CCC([NH+]2CCN(CC3CC3)CC2)CC1 ZINC000996804979 703095005 /nfs/dbraw/zinc/09/50/05/703095005.db2.gz ZDRYQXAZXKYMIC-UHFFFAOYSA-N 2 0 348.535 1.537 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC000996867224 703140138 /nfs/dbraw/zinc/14/01/38/703140138.db2.gz DXTIYLRAWKRZJE-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996903931 703178250 /nfs/dbraw/zinc/17/82/50/703178250.db2.gz LFDYQKDMMDNNJX-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996945973 703214788 /nfs/dbraw/zinc/21/47/88/703214788.db2.gz MBLHEVFEODISLT-UHFFFAOYSA-N 2 0 348.491 1.968 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000996965106 703225657 /nfs/dbraw/zinc/22/56/57/703225657.db2.gz MCFKXEQNYXZKJF-DLBZAZTESA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000996980604 703235974 /nfs/dbraw/zinc/23/59/74/703235974.db2.gz SLEOHOULTBTCQK-CJNGLKHVSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC000996981896 703236617 /nfs/dbraw/zinc/23/66/17/703236617.db2.gz YKGGCEQYPHPDER-RHSMWYFYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)s1 ZINC000996996213 703253794 /nfs/dbraw/zinc/25/37/94/703253794.db2.gz WJVSCNXTYSJANB-LBPRGKRZSA-N 2 0 337.493 1.411 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1 ZINC000996999247 703256210 /nfs/dbraw/zinc/25/62/10/703256210.db2.gz MZFALFGFRSUNDZ-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008971 703261636 /nfs/dbraw/zinc/26/16/36/703261636.db2.gz NPTVAOWWNAPLAJ-BBRMVZONSA-N 2 0 334.464 1.515 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997005062 703262489 /nfs/dbraw/zinc/26/24/89/703262489.db2.gz CBIXOBAAUMFOTD-SWLSCSKDSA-N 2 0 329.435 1.810 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nc1 ZINC000997009047 703267172 /nfs/dbraw/zinc/26/71/72/703267172.db2.gz XOHNXNRCZJIVLA-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)ncn1 ZINC000997010903 703270908 /nfs/dbraw/zinc/27/09/08/703270908.db2.gz UQNLFHCBIJUDAK-CXAGYDPISA-N 2 0 331.464 1.063 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997010580 703270974 /nfs/dbraw/zinc/27/09/74/703270974.db2.gz SOWOTAHXMSKKSU-GUYCJALGSA-N 2 0 346.475 1.830 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)[NH+](C)C ZINC000997016694 703275014 /nfs/dbraw/zinc/27/50/14/703275014.db2.gz WUHMMIUTCKQQGQ-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000997060480 703305516 /nfs/dbraw/zinc/30/55/16/703305516.db2.gz GYRUZVUQPLYLJF-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997115755 703369759 /nfs/dbraw/zinc/36/97/59/703369759.db2.gz QQIIKVYCWUGXPB-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997185845 703474840 /nfs/dbraw/zinc/47/48/40/703474840.db2.gz STWGWJFVUUJGRY-HOCLYGCPSA-N 2 0 348.495 1.016 20 0 EDADRP Cn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997186881 703476221 /nfs/dbraw/zinc/47/62/21/703476221.db2.gz UPOWGOJEMLGKCP-GOEBONIOSA-N 2 0 348.495 1.016 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2noc3c2CCCC3)CC1 ZINC000997306299 703565099 /nfs/dbraw/zinc/56/50/99/703565099.db2.gz BWDWDVYPAAOSER-UHFFFAOYSA-N 2 0 346.475 1.730 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000997309622 703567042 /nfs/dbraw/zinc/56/70/42/703567042.db2.gz MRERMTQHRGAXQN-INIZCTEOSA-N 2 0 346.475 1.131 20 0 EDADRP Cc1nccn1CC(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000997310119 703567216 /nfs/dbraw/zinc/56/72/16/703567216.db2.gz OEFMHCIBQHYOAL-ZDUSSCGKSA-N 2 0 328.420 1.323 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)nc1 ZINC000997358554 703589380 /nfs/dbraw/zinc/58/93/80/703589380.db2.gz CPYROBBCJVVGAH-HOTGVXAUSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997360599 703590814 /nfs/dbraw/zinc/59/08/14/703590814.db2.gz PHNAQWZLPZWWBU-GJZGRUSLSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC000997361445 703595458 /nfs/dbraw/zinc/59/54/58/703595458.db2.gz VEOIIGKNHRACKI-BETUJISGSA-N 2 0 334.468 1.067 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC2CCOCC2)CC1 ZINC000997395404 703660014 /nfs/dbraw/zinc/66/00/14/703660014.db2.gz KEQVSRMNRLQPBH-MRXNPFEDSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997514672 703764883 /nfs/dbraw/zinc/76/48/83/703764883.db2.gz IDMVFTYUIFORJW-XJKSGUPXSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1)C12CCC[NH+]1CCC2 ZINC001032497928 703795626 /nfs/dbraw/zinc/79/56/26/703795626.db2.gz DTSXAWYBKUXBGL-YESZJQIVSA-N 2 0 333.476 1.469 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCF)CC1 ZINC000997584398 703871521 /nfs/dbraw/zinc/87/15/21/703871521.db2.gz NGENEFFUMRGSDL-WMLDXEAASA-N 2 0 325.472 1.905 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997596225 703885222 /nfs/dbraw/zinc/88/52/22/703885222.db2.gz LFJSRKWPKNYCEP-HDMKZQKVSA-N 2 0 347.507 1.477 20 0 EDADRP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997611459 703911140 /nfs/dbraw/zinc/91/11/40/703911140.db2.gz FSAGQXHEQXGJNA-MRXNPFEDSA-N 2 0 348.491 1.968 20 0 EDADRP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997614547 703914411 /nfs/dbraw/zinc/91/44/11/703914411.db2.gz SDLDONUFBNPCBM-YJBOKZPZSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922547695 703953511 /nfs/dbraw/zinc/95/35/11/703953511.db2.gz OVLXGSJBROVWMB-PMPSAXMXSA-N 2 0 342.553 1.986 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001004206573 703964503 /nfs/dbraw/zinc/96/45/03/703964503.db2.gz FDXHWSAPYUYVFR-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001004208424 703968916 /nfs/dbraw/zinc/96/89/16/703968916.db2.gz PBZBMUKNTXMDJX-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995554481 703970976 /nfs/dbraw/zinc/97/09/76/703970976.db2.gz WZOJCNMCZFWLBJ-ZIAGYGMSSA-N 2 0 336.505 1.872 20 0 EDADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997659554 703983019 /nfs/dbraw/zinc/98/30/19/703983019.db2.gz KHHJLYLRUSAYGY-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999292680 706789196 /nfs/dbraw/zinc/78/91/96/706789196.db2.gz FBBFSEXJNVIGRB-JUVOFCAFSA-N 2 0 347.507 1.712 20 0 EDADRP OC1(C2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)CCOCC1 ZINC000922595199 704116980 /nfs/dbraw/zinc/11/69/80/704116980.db2.gz UROQJDMGCKOJDV-UHFFFAOYSA-N 2 0 328.416 1.679 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082679 704139827 /nfs/dbraw/zinc/13/98/27/704139827.db2.gz UHFKRZWRUHPFCJ-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004435321 704409724 /nfs/dbraw/zinc/40/97/24/704409724.db2.gz AFCPPMRTESPNOS-RTBURBONSA-N 2 0 349.519 1.678 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032538424 704588685 /nfs/dbraw/zinc/58/86/85/704588685.db2.gz QMOKFLZLFZEMNB-GBESFXJTSA-N 2 0 347.503 1.573 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000997707992 704598997 /nfs/dbraw/zinc/59/89/97/704598997.db2.gz IOBVURPFGIHJMU-LZLYRXPVSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997723745 704619842 /nfs/dbraw/zinc/61/98/42/704619842.db2.gz WTKVZFXTNXOJBR-JZXOWHBKSA-N 2 0 337.508 1.724 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997783101 704687194 /nfs/dbraw/zinc/68/71/94/704687194.db2.gz CWSNOYTZRJOOSJ-WMZOPIPTSA-N 2 0 335.492 1.193 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997783037 704687682 /nfs/dbraw/zinc/68/76/82/704687682.db2.gz BTDFHNVHKRCMME-KRWDZBQOSA-N 2 0 332.448 1.345 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997830233 704748607 /nfs/dbraw/zinc/74/86/07/704748607.db2.gz FSRFJXQUWRFDLB-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997839128 704754589 /nfs/dbraw/zinc/75/45/89/704754589.db2.gz GMSZFFQOQUPUEA-KRWDZBQOSA-N 2 0 334.464 1.877 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000997840468 704756805 /nfs/dbraw/zinc/75/68/05/704756805.db2.gz QAYYTPMLISWKTM-KRWDZBQOSA-N 2 0 336.480 1.897 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1)[NH+](C)C ZINC000997842548 704758308 /nfs/dbraw/zinc/75/83/08/704758308.db2.gz DKWFNHRHAVPOIM-KRWDZBQOSA-N 2 0 335.496 1.335 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919481 704771145 /nfs/dbraw/zinc/77/11/45/704771145.db2.gz OGQJKJSBVZCDKL-CXAGYDPISA-N 2 0 334.464 1.714 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997868355 704773624 /nfs/dbraw/zinc/77/36/24/704773624.db2.gz TYQVVZQDSPJCIN-KBXCAEBGSA-N 2 0 345.491 1.453 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2ncccn2)CC1)C12CCC[NH+]1CCC2 ZINC000997889111 704791010 /nfs/dbraw/zinc/79/10/10/704791010.db2.gz SQXSWOUZXPSXQJ-UHFFFAOYSA-N 2 0 343.475 1.433 20 0 EDADRP CCn1nnc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945914 704799148 /nfs/dbraw/zinc/79/91/48/704799148.db2.gz UIUWXWMWQFMJKF-ZBFHGGJFSA-N 2 0 348.495 1.029 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C)C1CCCC1 ZINC001032564614 704820106 /nfs/dbraw/zinc/82/01/06/704820106.db2.gz UQNWXOPNMGLKJD-WNRNVDISSA-N 2 0 335.492 1.571 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997940011 705052277 /nfs/dbraw/zinc/05/22/77/705052277.db2.gz AUEHUSWGFQDBJH-QGZVFWFLSA-N 2 0 347.463 1.272 20 0 EDADRP CC(C)(C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1)[NH+]1CCCC1 ZINC000997957170 705088106 /nfs/dbraw/zinc/08/81/06/705088106.db2.gz TWKQBCABCOVHRE-UHFFFAOYSA-N 2 0 335.452 1.272 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998012170 705184662 /nfs/dbraw/zinc/18/46/62/705184662.db2.gz MSSIKLBCZLUCDP-IXDOHACOSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1ncccn1 ZINC000998032317 705218147 /nfs/dbraw/zinc/21/81/47/705218147.db2.gz RQZKNIGFMBMDML-OAHLLOKOSA-N 2 0 345.491 1.708 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)CC1 ZINC000998175915 705471911 /nfs/dbraw/zinc/47/19/11/705471911.db2.gz PVFOOVCLGSJHBV-UHFFFAOYSA-N 2 0 345.491 1.537 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)o1 ZINC000998269276 705645519 /nfs/dbraw/zinc/64/55/19/705645519.db2.gz LQSRVVRAVKRNHZ-UHFFFAOYSA-N 2 0 334.464 1.715 20 0 EDADRP CC(C)Cc1nc(CNC2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000998537003 705970742 /nfs/dbraw/zinc/97/07/42/705970742.db2.gz YOJZSFNGUNVIRC-NRXISQOPSA-N 2 0 349.479 1.441 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998547999 705983407 /nfs/dbraw/zinc/98/34/07/705983407.db2.gz FEXACFFMTQEFPM-BCLQGDPASA-N 2 0 348.495 1.206 20 0 EDADRP CN(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998721078 706148465 /nfs/dbraw/zinc/14/84/65/706148465.db2.gz KZMLNKKTLMIBTH-PKOBYXMFSA-N 2 0 344.503 1.927 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000998722702 706154398 /nfs/dbraw/zinc/15/43/98/706154398.db2.gz PYBMZEPQNYNFOA-HOCLYGCPSA-N 2 0 336.505 1.669 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000998721434 706156753 /nfs/dbraw/zinc/15/67/53/706156753.db2.gz MAEPXTSVRYLXSJ-YOEHRIQHSA-N 2 0 332.448 1.265 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998763561 706202479 /nfs/dbraw/zinc/20/24/79/706202479.db2.gz NRDMCACWFYBRHJ-JCYILVPMSA-N 2 0 333.480 1.335 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998781232 706222262 /nfs/dbraw/zinc/22/22/62/706222262.db2.gz SJQVOKNNOVGHJJ-OFLPRAFFSA-N 2 0 346.475 1.658 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998781904 706223018 /nfs/dbraw/zinc/22/30/18/706223018.db2.gz YSZFZEQDCMQTOW-GPANFISMSA-N 2 0 332.448 1.404 20 0 EDADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC([NH2+]CC2CC2)C1 ZINC000998784831 706225492 /nfs/dbraw/zinc/22/54/92/706225492.db2.gz IYMXCKOSRVPCTR-GMNCBBECSA-N 2 0 349.519 1.722 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998868357 706297542 /nfs/dbraw/zinc/29/75/42/706297542.db2.gz XBPMZIQOZDNAJY-UYSNPLJNSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000998890160 706317052 /nfs/dbraw/zinc/31/70/52/706317052.db2.gz ZDYZCZQYVXDIJC-WWDZGPRUSA-N 2 0 347.507 1.440 20 0 EDADRP Cc1nnc(CNC2CC(N(C)C(=O)c3occc3C[NH+](C)C)C2)o1 ZINC000999320428 706820738 /nfs/dbraw/zinc/82/07/38/706820738.db2.gz VYLMAOHNCUTIKS-UHFFFAOYSA-N 2 0 347.419 1.425 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000999351267 706864353 /nfs/dbraw/zinc/86/43/53/706864353.db2.gz DUFZLBXSYCUZEM-JKSUJKDBSA-N 2 0 348.495 1.159 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999367143 706881172 /nfs/dbraw/zinc/88/11/72/706881172.db2.gz DSDXHRWZSBMFOC-FUHWJXTLSA-N 2 0 330.476 1.811 20 0 EDADRP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999406896 706916491 /nfs/dbraw/zinc/91/64/91/706916491.db2.gz BOPPVPGDYHWLCZ-ZLPCBKJTSA-N 2 0 347.507 1.366 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C3CC3)no2)C1)[NH+](C)C ZINC000999481140 706990078 /nfs/dbraw/zinc/99/00/78/706990078.db2.gz BJZCIMXCAOFZNP-RHSMWYFYSA-N 2 0 334.464 1.973 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999506540 707003789 /nfs/dbraw/zinc/00/37/89/707003789.db2.gz BOHRIRGUQAKILR-MSOLQXFVSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999507875 707005339 /nfs/dbraw/zinc/00/53/39/707005339.db2.gz FRODVZWNGMTIAL-UONOGXRCSA-N 2 0 337.493 1.411 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999510969 707009259 /nfs/dbraw/zinc/00/92/59/707009259.db2.gz MJWUQTNXDSLCRN-IAGOWNOFSA-N 2 0 334.439 1.786 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999515136 707014010 /nfs/dbraw/zinc/01/40/10/707014010.db2.gz XRTKAQHDIWEFFO-DLBZAZTESA-N 2 0 333.480 1.028 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cnc(OC)nc2C)C1)[NH+](C)C ZINC000999490681 707027125 /nfs/dbraw/zinc/02/71/25/707027125.db2.gz RZAHVUQXJOWTJY-JKSUJKDBSA-N 2 0 349.479 1.214 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC(C)(C)C3)CC[C@@H]2C1 ZINC000946776400 707209564 /nfs/dbraw/zinc/20/95/64/707209564.db2.gz MTQPPTILDFHWBK-YESZJQIVSA-N 2 0 337.508 1.270 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999687773 707241513 /nfs/dbraw/zinc/24/15/13/707241513.db2.gz JQKWXMPQGOXWGE-WLYUNCDWSA-N 2 0 336.505 1.872 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255628 707245499 /nfs/dbraw/zinc/24/54/99/707245499.db2.gz KYMVETYUHGDKLT-ZBFHGGJFSA-N 2 0 343.431 1.449 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC000999763752 707318340 /nfs/dbraw/zinc/31/83/40/707318340.db2.gz ILSQYYZXHOTRGH-AGYKMIKPSA-N 2 0 347.503 1.620 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033270295 707320452 /nfs/dbraw/zinc/32/04/52/707320452.db2.gz DBCXIWZKANBOED-YJBOKZPZSA-N 2 0 342.443 1.907 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000999778267 707339484 /nfs/dbraw/zinc/33/94/84/707339484.db2.gz WWPYOWYKAQQZAF-HNNXBMFYSA-N 2 0 345.447 1.738 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999828987 707457934 /nfs/dbraw/zinc/45/79/34/707457934.db2.gz HZAHIZLLXZPSNL-GTPINHCMSA-N 2 0 333.451 1.899 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999831275 707461116 /nfs/dbraw/zinc/46/11/16/707461116.db2.gz JXRHHWABVJQGAB-GTPINHCMSA-N 2 0 333.480 1.031 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC000999834103 707467012 /nfs/dbraw/zinc/46/70/12/707467012.db2.gz RFBLNHDPTFGQIH-ABHNRTSZSA-N 2 0 349.450 1.534 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999871495 707514919 /nfs/dbraw/zinc/51/49/19/707514919.db2.gz MBPCHSFXDSLZHA-HNNXBMFYSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)[NH+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993899 707671454 /nfs/dbraw/zinc/67/14/54/707671454.db2.gz WWIIEQNZAFCGFC-SJORKVTESA-N 2 0 348.495 1.422 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCNCc2nccc3c2CCCC3)C1 ZINC000921689507 707701417 /nfs/dbraw/zinc/70/14/17/707701417.db2.gz FKUJRRJNRKSNFF-INIZCTEOSA-N 2 0 330.476 1.637 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CCOc3ccccc3)C2)C1 ZINC001033415441 707791893 /nfs/dbraw/zinc/79/18/93/707791893.db2.gz IQTMRCPAAAKZCN-ROUUACIJSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974830 707805737 /nfs/dbraw/zinc/80/57/37/707805737.db2.gz BHFZVFGTRVVJCH-JKSUJKDBSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033230339 707890901 /nfs/dbraw/zinc/89/09/01/707890901.db2.gz MHSHPZIHEHYJTR-RDJZCZTQSA-N 2 0 342.443 1.907 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOC2CCCCCC2)C1 ZINC001032780721 707965549 /nfs/dbraw/zinc/96/55/49/707965549.db2.gz BPSGFFUFLPASNF-BZSNNMDCSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1nsc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782139 707971907 /nfs/dbraw/zinc/97/19/07/707971907.db2.gz VVMXGFUCBUQTDI-KKUMJFAQSA-N 2 0 334.489 1.497 20 0 EDADRP CN(C)c1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC001032782248 707972369 /nfs/dbraw/zinc/97/23/69/707972369.db2.gz ZKGYZAOOSVHPTM-NEWSRXKRSA-N 2 0 342.487 1.489 20 0 EDADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490150 707984602 /nfs/dbraw/zinc/98/46/02/707984602.db2.gz NURNNNCKSBQQBP-DOTOQJQBSA-N 2 0 335.496 1.637 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001000915508 708076518 /nfs/dbraw/zinc/07/65/18/708076518.db2.gz DNRYJYXJGNHDRC-CABCVRRESA-N 2 0 336.505 1.526 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032801378 708082778 /nfs/dbraw/zinc/08/27/78/708082778.db2.gz SYPVQMPPOBCCLE-OALUTQOASA-N 2 0 349.519 1.964 20 0 EDADRP Cc1ncccc1C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001151564 708108324 /nfs/dbraw/zinc/10/83/24/708108324.db2.gz MIAYCCAHVVPJRI-HNAYVOBHSA-N 2 0 342.487 1.836 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582807 708266268 /nfs/dbraw/zinc/26/62/68/708266268.db2.gz RFSVVDUKPUGDHB-AEFFLSMTSA-N 2 0 330.476 1.765 20 0 EDADRP Cn1cncc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001796037 708310834 /nfs/dbraw/zinc/31/08/34/708310834.db2.gz ZSWRQKCYCUZHEQ-UHFFFAOYSA-N 2 0 333.480 1.090 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033663879 708444832 /nfs/dbraw/zinc/44/48/32/708444832.db2.gz AJEQHDCYQPJSRA-GJZGRUSLSA-N 2 0 334.464 1.530 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662165 708477088 /nfs/dbraw/zinc/47/70/88/708477088.db2.gz OGRDCOXSXUHEJG-CABCVRRESA-N 2 0 336.505 1.478 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121143 708634928 /nfs/dbraw/zinc/63/49/28/708634928.db2.gz ORLQSCKXADZPRX-SFHVURJKSA-N 2 0 330.476 1.670 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002156325 708671015 /nfs/dbraw/zinc/67/10/15/708671015.db2.gz HBOUYFLHWHLJGM-UHFFFAOYSA-N 2 0 333.476 1.572 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033776980 708704143 /nfs/dbraw/zinc/70/41/43/708704143.db2.gz RYCPPXQCCXPTKW-ZBFHGGJFSA-N 2 0 336.505 1.703 20 0 EDADRP C[C@@H](F)CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005398269 708881257 /nfs/dbraw/zinc/88/12/57/708881257.db2.gz MXYFSMXSXDODOU-RHSMWYFYSA-N 2 0 325.472 1.999 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005397350 708909079 /nfs/dbraw/zinc/90/90/79/708909079.db2.gz KAZUXFZRRBUWBI-SFHVURJKSA-N 2 0 345.491 1.185 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001005407767 708911609 /nfs/dbraw/zinc/91/16/09/708911609.db2.gz TYTXZFBWVBEWKK-KBAYOESNSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC001005407707 708937502 /nfs/dbraw/zinc/93/75/02/708937502.db2.gz QFFYJSNGSFIPLO-CRAIPNDOSA-N 2 0 337.508 1.676 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033907997 709040706 /nfs/dbraw/zinc/04/07/06/709040706.db2.gz WWABBVWBGOBRIF-DHADLLTHSA-N 2 0 335.492 1.428 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[N@H+](CC3CCOCC3)C2)c1 ZINC001016322719 709216339 /nfs/dbraw/zinc/21/63/39/709216339.db2.gz KRAAWMGUVQAPDF-IBGZPJMESA-N 2 0 345.487 1.979 20 0 EDADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CCOC)C1 ZINC001034011979 709225195 /nfs/dbraw/zinc/22/51/95/709225195.db2.gz LBGSYAQMRZEEOC-SFHVURJKSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001034043885 709295102 /nfs/dbraw/zinc/29/51/02/709295102.db2.gz XUVDTXFRNQTWPT-WBVHZDCISA-N 2 0 333.480 1.103 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139155 709389052 /nfs/dbraw/zinc/38/90/52/709389052.db2.gz RQZZZJYOAXRHHA-DLBZAZTESA-N 2 0 334.439 1.786 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)OC ZINC001002793669 709401787 /nfs/dbraw/zinc/40/17/87/709401787.db2.gz ZBPNVKOFGNJMLN-IRXDYDNUSA-N 2 0 325.497 1.865 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034132715 709402971 /nfs/dbraw/zinc/40/29/71/709402971.db2.gz UQEVYKGTMCZXBI-MOPGFXCFSA-N 2 0 345.487 1.744 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003011956 709783729 /nfs/dbraw/zinc/78/37/29/709783729.db2.gz UGBSCRPTLBDOBU-WMZOPIPTSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@@H]1CCCC[N@@H+](CCO)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001034361742 709876657 /nfs/dbraw/zinc/87/66/57/709876657.db2.gz RKOXFZDQKCBSLM-SJLPKXTDSA-N 2 0 337.508 1.747 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400017 709942790 /nfs/dbraw/zinc/94/27/90/709942790.db2.gz WSHSBIHKPRRHBQ-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)cn1 ZINC001003146332 710044230 /nfs/dbraw/zinc/04/42/30/710044230.db2.gz PISVLPGXIRAWMI-ROUUACIJSA-N 2 0 345.491 1.518 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003160539 710069745 /nfs/dbraw/zinc/06/97/45/710069745.db2.gz QWKLOBFIVBTRPE-LSDHHAIUSA-N 2 0 345.434 1.476 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034492110 710113464 /nfs/dbraw/zinc/11/34/64/710113464.db2.gz YAIMGBODDHTDAZ-MSOLQXFVSA-N 2 0 349.519 1.870 20 0 EDADRP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488308 710137543 /nfs/dbraw/zinc/13/75/43/710137543.db2.gz UATGQNUJEMXIOP-SFHVURJKSA-N 2 0 342.487 1.957 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCOC2)CC1)C12CCC[NH+]1CCC2 ZINC001003244188 710167199 /nfs/dbraw/zinc/16/71/99/710167199.db2.gz MAFBHYADQIBQGQ-INIZCTEOSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525460 710175684 /nfs/dbraw/zinc/17/56/84/710175684.db2.gz NCKHOQKBWHXXGU-ROUUACIJSA-N 2 0 347.507 1.422 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001034525650 710176293 /nfs/dbraw/zinc/17/62/93/710176293.db2.gz NRZLHAAPBMJGEO-LSDHHAIUSA-N 2 0 329.435 1.954 20 0 EDADRP C[C@H](F)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332023 710256338 /nfs/dbraw/zinc/25/63/38/710256338.db2.gz JUXLSUHKQVAAEG-QBPRILJRSA-N 2 0 339.455 1.178 20 0 EDADRP C[C@H](F)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332014 710256393 /nfs/dbraw/zinc/25/63/93/710256393.db2.gz JUXLSUHKQVAAEG-DFFOAJLQSA-N 2 0 339.455 1.178 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001034606746 710269840 /nfs/dbraw/zinc/26/98/40/710269840.db2.gz CJSVQICGYFLEPZ-VSQHIIRESA-N 2 0 337.508 1.913 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1)c1csnn1 ZINC001034610492 710284462 /nfs/dbraw/zinc/28/44/62/710284462.db2.gz RETYLQVECBTUAY-RGCMKSIDSA-N 2 0 337.493 1.710 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375169 710293081 /nfs/dbraw/zinc/29/30/81/710293081.db2.gz JQHDIRLZDHCIPU-QFBILLFUSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375378 710293518 /nfs/dbraw/zinc/29/35/18/710293518.db2.gz NOSZFHZZHZBNMF-SFHVURJKSA-N 2 0 345.491 1.338 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647528 710324084 /nfs/dbraw/zinc/32/40/84/710324084.db2.gz KAFPXZVPBFAQSC-WRQOLXDDSA-N 2 0 345.491 1.895 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](CC2CCOCC2)CC1)[NH+]1CCCC1 ZINC001003423348 710338682 /nfs/dbraw/zinc/33/86/82/710338682.db2.gz FSIFJSWCJPHLNS-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@H](C)COC)CC2)C1 ZINC001003481956 710368242 /nfs/dbraw/zinc/36/82/42/710368242.db2.gz NUDWQICIPFXGQM-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CCN(Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001003491208 710373587 /nfs/dbraw/zinc/37/35/87/710373587.db2.gz DHHWFTSEXZUGLU-GJZGRUSLSA-N 2 0 331.464 1.288 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003626671 710447587 /nfs/dbraw/zinc/44/75/87/710447587.db2.gz UNLZIBNTGGDYMC-AWEZNQCLSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001003625398 710454574 /nfs/dbraw/zinc/45/45/74/710454574.db2.gz FTWRLTAXHLOCQC-CYBMUJFWSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC001003636645 710456839 /nfs/dbraw/zinc/45/68/39/710456839.db2.gz XAWPTPIBAQYCLO-QAPCUYQASA-N 2 0 330.476 1.668 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922264509 710549724 /nfs/dbraw/zinc/54/97/24/710549724.db2.gz UHCOMNAMELFFPF-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034662111 710593420 /nfs/dbraw/zinc/59/34/20/710593420.db2.gz DADRIJHISKQDGH-ZOBUZTSGSA-N 2 0 349.479 1.850 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC001034675011 710626543 /nfs/dbraw/zinc/62/65/43/710626543.db2.gz XMTWYOLWNMFUPS-ZOBUZTSGSA-N 2 0 334.464 1.984 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034674932 710626617 /nfs/dbraw/zinc/62/66/17/710626617.db2.gz VBGPJGDLGYKLAM-ZOBUZTSGSA-N 2 0 333.480 1.421 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001003891674 710833800 /nfs/dbraw/zinc/83/38/00/710833800.db2.gz ASBJUMRWUFGXAZ-OAHLLOKOSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC001034716760 710859356 /nfs/dbraw/zinc/85/93/56/710859356.db2.gz SDLMOCRGYZHHCB-QAETUUGQSA-N 2 0 347.507 1.667 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034735632 710921327 /nfs/dbraw/zinc/92/13/27/710921327.db2.gz JXSCZFSINCGTDD-BPUTZDHNSA-N 2 0 334.464 1.984 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738822 710931609 /nfs/dbraw/zinc/93/16/09/710931609.db2.gz VQQQFOWWMIQCDH-MIGQKNRLSA-N 2 0 334.464 1.698 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032960233 710968335 /nfs/dbraw/zinc/96/83/35/710968335.db2.gz PPWZHKCOBREFII-DLBZAZTESA-N 2 0 333.480 1.072 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncn3C)CC2)CC1 ZINC001034762219 710997484 /nfs/dbraw/zinc/99/74/84/710997484.db2.gz AYKZWOATSOTTFE-WKILWMFISA-N 2 0 348.495 1.064 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)co1 ZINC001034775498 711049113 /nfs/dbraw/zinc/04/91/13/711049113.db2.gz AZDBHFOQACLOEG-BZUAXINKSA-N 2 0 334.464 1.842 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nncs3)CC2)C1 ZINC001034776800 711054740 /nfs/dbraw/zinc/05/47/40/711054740.db2.gz ZJTJVFFKJIIMAC-MGPQQGTHSA-N 2 0 337.493 1.397 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1)C12CC[NH+](CC1)C2 ZINC001034776945 711055288 /nfs/dbraw/zinc/05/52/88/711055288.db2.gz CJGLHRBVBDBGAI-QAQDUYKDSA-N 2 0 346.450 1.834 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1)C12CC[NH+](CC1)C2 ZINC001034778360 711079458 /nfs/dbraw/zinc/07/94/58/711079458.db2.gz RPYGORXIISBQDH-JOCQHMNTSA-N 2 0 335.477 1.151 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034795963 711115659 /nfs/dbraw/zinc/11/56/59/711115659.db2.gz ZXZMSVXMGWKTHB-BFYDXBDKSA-N 2 0 348.495 1.207 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccns3)CC2)C1 ZINC001034792362 711119486 /nfs/dbraw/zinc/11/94/86/711119486.db2.gz GVMBGNUIUCKTTC-RBSFLKMASA-N 2 0 336.505 1.654 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC001034793214 711122465 /nfs/dbraw/zinc/12/24/65/711122465.db2.gz SPVZQZAQPBGHOB-XJFOESAGSA-N 2 0 337.493 1.568 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001034821213 711222092 /nfs/dbraw/zinc/22/20/92/711222092.db2.gz RXQKDCKVMKCLKU-OALUTQOASA-N 2 0 345.487 1.913 20 0 EDADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740775 711275003 /nfs/dbraw/zinc/27/50/03/711275003.db2.gz JBUQPEUSQCGWSF-LOPSVYGOSA-N 2 0 349.519 1.819 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034881909 711282596 /nfs/dbraw/zinc/28/25/96/711282596.db2.gz PFPAJFSREMYZJM-SJLPKXTDSA-N 2 0 331.460 1.870 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001034958884 711432682 /nfs/dbraw/zinc/43/26/82/711432682.db2.gz NPJQJTAGGPGSPJ-QZTJIDSGSA-N 2 0 347.507 1.479 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001034936821 711437045 /nfs/dbraw/zinc/43/70/45/711437045.db2.gz XOYRYBMENZZLTM-IAGOWNOFSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCC3)C2 ZINC000922387293 711450341 /nfs/dbraw/zinc/45/03/41/711450341.db2.gz UBVCNNHRXGRRPN-NXWXRZEISA-N 2 0 332.492 1.478 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3oc(=O)oc3c1)C2 ZINC000922391213 711456055 /nfs/dbraw/zinc/45/60/55/711456055.db2.gz URHSJNFLSSDUIF-XNWVLMOPSA-N 2 0 346.427 1.955 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000922411443 711486583 /nfs/dbraw/zinc/48/65/83/711486583.db2.gz AGLVYFNSMKHAMT-JYYAWHABSA-N 2 0 348.495 1.195 20 0 EDADRP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C3CCOCC3)CC[C@@H]2C1 ZINC000946623550 711923417 /nfs/dbraw/zinc/92/34/17/711923417.db2.gz MCPFUPFITVUORT-ZIFCJYIRSA-N 2 0 349.519 1.820 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2CC1)[NH+](C)C ZINC000946642882 712129105 /nfs/dbraw/zinc/12/91/05/712129105.db2.gz TUOSUJDPAJOBNX-FGTMMUONSA-N 2 0 347.507 1.431 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000448600134 282100791 /nfs/dbraw/zinc/10/07/91/282100791.db2.gz CZTNOMLAABQIIG-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000557843016 306234533 /nfs/dbraw/zinc/23/45/33/306234533.db2.gz FFBKDJZTGYYKAY-KSTDHSDQSA-N 2 0 336.480 1.465 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCC(=O)NC1(C)C)c1ccccc1 ZINC000338593589 282238477 /nfs/dbraw/zinc/23/84/77/282238477.db2.gz TXQWSZGZRVSQSP-CVEARBPZSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000132870176 530044865 /nfs/dbraw/zinc/04/48/65/530044865.db2.gz ZVURVQVPCXSLCC-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[C@H](C)[N@H+]1C ZINC000412358071 304001089 /nfs/dbraw/zinc/00/10/89/304001089.db2.gz FSPDZEWLCNQOCF-LZWOXQAQSA-N 2 0 325.522 1.755 20 0 EDADRP Cc1ncc2n1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC2 ZINC000561259721 306286067 /nfs/dbraw/zinc/28/60/67/306286067.db2.gz SBIKYBMIXMDOTI-KRWDZBQOSA-N 2 0 349.523 1.486 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000151934020 539779958 /nfs/dbraw/zinc/77/99/58/539779958.db2.gz XIGPOJVGXJHLLE-KBPBESRZSA-N 2 0 339.505 1.976 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000345362505 539829616 /nfs/dbraw/zinc/82/96/16/539829616.db2.gz FOUPDRXZGOGYOH-HZPDHXFCSA-N 2 0 342.528 1.451 20 0 EDADRP C[NH+]1CCN(c2ncccc2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000166341557 539923601 /nfs/dbraw/zinc/92/36/01/539923601.db2.gz KTPAPHWINVBZDT-ZWKOTPCHSA-N 2 0 329.492 1.550 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000562789236 306308978 /nfs/dbraw/zinc/30/89/78/306308978.db2.gz FNCBYMZEQDBKEE-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000563001510 306315554 /nfs/dbraw/zinc/31/55/54/306315554.db2.gz VVAWNPSLNYGPEY-TZMCWYRMSA-N 2 0 343.924 1.977 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC[NH+]2CCC(OC)CC2)[C@H](C)C1 ZINC000163667831 540056092 /nfs/dbraw/zinc/05/60/92/540056092.db2.gz SCMWBCYCRXQLGA-MJGOQNOKSA-N 2 0 341.540 1.824 20 0 EDADRP COC[C@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000183426795 235068676 /nfs/dbraw/zinc/06/86/76/235068676.db2.gz IFRABMKJJPSCQZ-SNRMKQJTSA-N 2 0 345.487 1.780 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000563451675 306334301 /nfs/dbraw/zinc/33/43/01/306334301.db2.gz PGNAVJMRRBFORQ-INIZCTEOSA-N 2 0 336.867 1.966 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000563454391 306334361 /nfs/dbraw/zinc/33/43/61/306334361.db2.gz QWFBANVAHXCUMZ-SQNIBIBYSA-N 2 0 328.460 1.512 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)oc1C ZINC000097474491 138296977 /nfs/dbraw/zinc/29/69/77/138296977.db2.gz LDNVBZLDISOKCI-UHFFFAOYSA-N 2 0 336.432 1.919 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000563621126 306342539 /nfs/dbraw/zinc/34/25/39/306342539.db2.gz UAKADQMCYQHYEG-PKOBYXMFSA-N 2 0 344.503 1.621 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)c1 ZINC000563725741 306346116 /nfs/dbraw/zinc/34/61/16/306346116.db2.gz YVNAEJICZROVCK-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496072183 283317998 /nfs/dbraw/zinc/31/79/98/283317998.db2.gz QXHHCCIROCHYLJ-GOSISDBHSA-N 2 0 343.512 1.974 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000564062755 306354672 /nfs/dbraw/zinc/35/46/72/306354672.db2.gz JGXYROXBYRUZJS-SFHVURJKSA-N 2 0 345.491 1.863 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000418192427 283388176 /nfs/dbraw/zinc/38/81/76/283388176.db2.gz YRKXINYWNPBCDA-GOEBONIOSA-N 2 0 336.484 1.102 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000564560225 306360625 /nfs/dbraw/zinc/36/06/25/306360625.db2.gz WVORYCMUHPILMV-OAUYIBNBSA-N 2 0 337.489 1.633 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000413847584 304081031 /nfs/dbraw/zinc/08/10/31/304081031.db2.gz VEPLECQSYQAADB-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2ccnn2C)[C@@H]1C ZINC000333780775 291193868 /nfs/dbraw/zinc/19/38/68/291193868.db2.gz KUJRETROOUOUAJ-PNBKFKSVSA-N 2 0 348.495 1.195 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000565029107 306373180 /nfs/dbraw/zinc/37/31/80/306373180.db2.gz WMZSDUFNGDABLA-LSDHHAIUSA-N 2 0 344.459 1.401 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565575990 306386609 /nfs/dbraw/zinc/38/66/09/306386609.db2.gz QOWMIYCQTXUERO-ICSRJNTNSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000565704439 306388964 /nfs/dbraw/zinc/38/89/64/306388964.db2.gz FRNCYFYCAKEZKC-ZSGPHXLJSA-N 2 0 328.460 1.729 20 0 EDADRP Cc1ccc(CCC[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414477786 304117946 /nfs/dbraw/zinc/11/79/46/304117946.db2.gz CJJHPTNNQHHXOU-UHFFFAOYSA-N 2 0 346.519 1.709 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694251 304128571 /nfs/dbraw/zinc/12/85/71/304128571.db2.gz MZNDCUUVORBDIL-PKOBYXMFSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414696545 304128926 /nfs/dbraw/zinc/12/89/26/304128926.db2.gz GKMJEUFPAFGKGR-KGLIPLIRSA-N 2 0 332.448 1.493 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414696636 304128877 /nfs/dbraw/zinc/12/88/77/304128877.db2.gz GSORGXLIPYFITA-HNNXBMFYSA-N 2 0 333.432 1.102 20 0 EDADRP Cc1nc2c(s1)[C@@H]([N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1)CCC2 ZINC000414698484 304129320 /nfs/dbraw/zinc/12/93/20/304129320.db2.gz RAKOEOSBAUXICF-ZFWWWQNUSA-N 2 0 336.505 1.958 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699112 304129544 /nfs/dbraw/zinc/12/95/44/304129544.db2.gz RRGDXXLPJPCXFM-HOCLYGCPSA-N 2 0 345.443 1.750 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000133031132 223383273 /nfs/dbraw/zinc/38/32/73/223383273.db2.gz DZSCFCZQZHXZKV-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1 ZINC000414732009 304133996 /nfs/dbraw/zinc/13/39/96/304133996.db2.gz FPKAWGWVCRPELO-KRWDZBQOSA-N 2 0 348.491 1.827 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000414732891 304134567 /nfs/dbraw/zinc/13/45/67/304134567.db2.gz IVJVXXKOFJUSLP-INIZCTEOSA-N 2 0 331.464 1.687 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@](F)(c3ccccc3F)C2)C1 ZINC000414759866 304137764 /nfs/dbraw/zinc/13/77/64/304137764.db2.gz FSKALLZURJLBKV-KBXCAEBGSA-N 2 0 337.414 1.894 20 0 EDADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)NCC2([NH3+])CCC2)c1 ZINC000415050237 304154788 /nfs/dbraw/zinc/15/47/88/304154788.db2.gz BMMLSCNXPGGFCA-HNNXBMFYSA-N 2 0 345.447 1.139 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)c1 ZINC000415118298 304161491 /nfs/dbraw/zinc/16/14/91/304161491.db2.gz XXPYMKRLRBWXNJ-KRWDZBQOSA-N 2 0 344.459 1.431 20 0 EDADRP Cc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415140008 304163513 /nfs/dbraw/zinc/16/35/13/304163513.db2.gz MOAWIMNXBFHCQX-MSOLQXFVSA-N 2 0 328.460 1.715 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000567284329 306445618 /nfs/dbraw/zinc/44/56/18/306445618.db2.gz NUUFCXDSLHEHMJ-WMZOPIPTSA-N 2 0 331.460 1.546 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=[NH2+])NC3CCCC3)cc2)CC1 ZINC000195522350 139019901 /nfs/dbraw/zinc/01/99/01/139019901.db2.gz IVIKWCAAXMGHSF-UHFFFAOYSA-N 2 0 329.492 1.991 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2cccs2)CC1 ZINC000236661711 139028027 /nfs/dbraw/zinc/02/80/27/139028027.db2.gz MANOGFBMQBNJQP-RBSFLKMASA-N 2 0 337.489 1.360 20 0 EDADRP CCC[NH+]1CCC(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000236793621 139031591 /nfs/dbraw/zinc/03/15/91/139031591.db2.gz OJTVGFGBHAEFFV-FQEVSTJZSA-N 2 0 331.504 1.870 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000237092790 139040455 /nfs/dbraw/zinc/04/04/55/139040455.db2.gz XOYSCDTXAWLYFN-GOSISDBHSA-N 2 0 342.487 1.762 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH+]1CCCCC1 ZINC000237204157 139044195 /nfs/dbraw/zinc/04/41/95/139044195.db2.gz OXPKBFJIWYLJBB-DJIMGWMZSA-N 2 0 347.459 1.061 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237315170 139047654 /nfs/dbraw/zinc/04/76/54/139047654.db2.gz MMPGMOMDOAWCAI-KRWDZBQOSA-N 2 0 332.492 1.479 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)CC2)c1 ZINC000237373195 139049455 /nfs/dbraw/zinc/04/94/55/139049455.db2.gz KUQQTEWQZVJNLB-QGZVFWFLSA-N 2 0 340.427 1.309 20 0 EDADRP C[C@H](CCNC(=O)C[NH2+]C[C@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000237456577 139051633 /nfs/dbraw/zinc/05/16/33/139051633.db2.gz VUTKWFXUWBEWFX-SJLPKXTDSA-N 2 0 333.476 1.782 20 0 EDADRP Cc1c(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237509279 139052841 /nfs/dbraw/zinc/05/28/41/139052841.db2.gz XFARZCDCQVMRIR-CQSZACIVSA-N 2 0 348.495 1.363 20 0 EDADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000237586968 139054859 /nfs/dbraw/zinc/05/48/59/139054859.db2.gz YNFSJXBAABCNCA-VQIMIIECSA-N 2 0 345.487 1.893 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000111413530 220153236 /nfs/dbraw/zinc/15/32/36/220153236.db2.gz QPONNKJXPFKOSQ-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000415215940 304175560 /nfs/dbraw/zinc/17/55/60/304175560.db2.gz INDUOXMFXXEWCS-RHSMWYFYSA-N 2 0 344.459 1.430 20 0 EDADRP [NH3+]CC1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000237798098 139060587 /nfs/dbraw/zinc/06/05/87/139060587.db2.gz ZBWFPWYNKUXKNN-UHFFFAOYSA-N 2 0 330.476 1.396 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000237897501 139063082 /nfs/dbraw/zinc/06/30/82/139063082.db2.gz KVVNRDSVPFFXEP-SFHVURJKSA-N 2 0 331.460 1.320 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCc1nccn1CCc1ccccc1 ZINC000237933233 139064141 /nfs/dbraw/zinc/06/41/41/139064141.db2.gz YKQACJJOIJPSHQ-QGZVFWFLSA-N 2 0 342.443 1.511 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000111838003 220203384 /nfs/dbraw/zinc/20/33/84/220203384.db2.gz IADIRUAGUBEVAD-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000415239387 304177583 /nfs/dbraw/zinc/17/75/83/304177583.db2.gz ATCNOWDIHZXVNN-IFXJQAMLSA-N 2 0 344.459 1.589 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)cc1 ZINC000415263048 304181104 /nfs/dbraw/zinc/18/11/04/304181104.db2.gz GZYBNGQZRYEDDE-HNNXBMFYSA-N 2 0 332.448 1.417 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@H](C)CN1CCOCC1 ZINC000245863342 139087747 /nfs/dbraw/zinc/08/77/47/139087747.db2.gz CZEBZXNNWYCHGJ-BBWFWOEESA-N 2 0 338.496 1.223 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000567910436 306466365 /nfs/dbraw/zinc/46/63/65/306466365.db2.gz WRNCGAMFUSGLGN-ZWKOTPCHSA-N 2 0 336.524 1.380 20 0 EDADRP C[C@@H]1CC[N@@H+]([C@H]2CCCN(c3cnn(C)c3)C2=O)C[C@@H]1n1ccnc1 ZINC000246281251 139102357 /nfs/dbraw/zinc/10/23/57/139102357.db2.gz NPMMCRLKQZCZNI-PVAVHDDUSA-N 2 0 342.447 1.695 20 0 EDADRP COC(=O)[C@@]1(C)CC[NH+](C/C=C/C[N@H+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000246590385 139114079 /nfs/dbraw/zinc/11/40/79/139114079.db2.gz TVGLESDTEDHDFY-ZBKUBXTQSA-N 2 0 338.448 1.313 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000246700946 139117901 /nfs/dbraw/zinc/11/79/01/139117901.db2.gz CULKCTTVDZGBCX-IAGOWNOFSA-N 2 0 344.459 1.543 20 0 EDADRP CC[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000246897861 139126104 /nfs/dbraw/zinc/12/61/04/139126104.db2.gz FRGNJXBCKQCUBP-VDGAXYAQSA-N 2 0 331.504 1.726 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(OCC(=O)N(C)C)c2)[C@@H](C)C1 ZINC000246996377 139130417 /nfs/dbraw/zinc/13/04/17/139130417.db2.gz KLDXLJVHNOVCMK-MAUKXSAKSA-N 2 0 333.476 1.974 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362808964 296268786 /nfs/dbraw/zinc/26/87/86/296268786.db2.gz NADRUFBHTMLIBP-HOTGVXAUSA-N 2 0 331.464 1.508 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cnn(Cc2ccccc2)c1 ZINC000568618738 306485324 /nfs/dbraw/zinc/48/53/24/306485324.db2.gz WLCBEJRAHLFVEH-HNNXBMFYSA-N 2 0 327.432 1.014 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc4c(c3)OCCO4)CC[C@H]21 ZINC000248146678 139158759 /nfs/dbraw/zinc/15/87/59/139158759.db2.gz QFXQCEFBLXFLJB-GOEBONIOSA-N 2 0 345.443 1.812 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248141984 139158825 /nfs/dbraw/zinc/15/88/25/139158825.db2.gz PSQQVKHFWNDPIM-YLJYHZDGSA-N 2 0 346.519 1.586 20 0 EDADRP COC(=O)[C@@H](C)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402734 139162286 /nfs/dbraw/zinc/16/22/86/139162286.db2.gz WFJUEJXMAICOIJ-GOEBONIOSA-N 2 0 335.448 1.146 20 0 EDADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248741512 139173979 /nfs/dbraw/zinc/17/39/79/139173979.db2.gz DOZCPZGKFKSZGM-IIDMSEBBSA-N 2 0 333.476 1.639 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)CCO1 ZINC000248748359 139174223 /nfs/dbraw/zinc/17/42/23/139174223.db2.gz BOBXQABJKNRHBC-KXBFYZLASA-N 2 0 331.460 1.572 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410777726 250374408 /nfs/dbraw/zinc/37/44/08/250374408.db2.gz WMKSZAHPPJMZRT-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000261603953 139209946 /nfs/dbraw/zinc/20/99/46/139209946.db2.gz CEIFAGOHSQKSOJ-YJBOKZPZSA-N 2 0 331.460 1.523 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000261655745 139214994 /nfs/dbraw/zinc/21/49/94/139214994.db2.gz KCNOHYLMOAXKEM-HKUYNNGSSA-N 2 0 331.460 1.566 20 0 EDADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000261703188 139219126 /nfs/dbraw/zinc/21/91/26/139219126.db2.gz IGXWICYHNRZAHK-MRXNPFEDSA-N 2 0 338.839 1.438 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCCC2)c1 ZINC000261869733 139232870 /nfs/dbraw/zinc/23/28/70/139232870.db2.gz NZVJRQWOEUYSQO-QGZVFWFLSA-N 2 0 347.459 1.456 20 0 EDADRP COC1CCN(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000261873212 139233070 /nfs/dbraw/zinc/23/30/70/139233070.db2.gz DJAJXLTYOQNICB-KSZLIROESA-N 2 0 339.524 1.623 20 0 EDADRP CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261930656 139238028 /nfs/dbraw/zinc/23/80/28/139238028.db2.gz LNLFMJSOEWCMIZ-HUUCEWRRSA-N 2 0 335.452 1.054 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000261914763 139236540 /nfs/dbraw/zinc/23/65/40/139236540.db2.gz XZXUOFUWSABWDR-RTBURBONSA-N 2 0 344.503 1.295 20 0 EDADRP C[C@@H]1CCCN(Cc2csc(NC(=O)C3([NH3+])CCOCC3)n2)C1 ZINC000261917933 139236842 /nfs/dbraw/zinc/23/68/42/139236842.db2.gz USJQMBVAAICZHD-GFCCVEGCSA-N 2 0 338.477 1.821 20 0 EDADRP COC(=O)c1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262078107 139249154 /nfs/dbraw/zinc/24/91/54/139249154.db2.gz SSYVNLNVTROERD-INIZCTEOSA-N 2 0 333.432 1.293 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1 ZINC000262112811 139251933 /nfs/dbraw/zinc/25/19/33/139251933.db2.gz FLJXZDBHZMKZLH-SQDXWYPISA-N 2 0 347.507 1.206 20 0 EDADRP COCC1(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC[NH2+]CC1 ZINC000414978857 250907731 /nfs/dbraw/zinc/90/77/31/250907731.db2.gz UCJYGJQFUKERNR-UHFFFAOYSA-N 2 0 343.475 1.990 20 0 EDADRP CCCOc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC ZINC000262128113 139253300 /nfs/dbraw/zinc/25/33/00/139253300.db2.gz NLRCDNOFHSMDMH-QGZVFWFLSA-N 2 0 333.476 1.964 20 0 EDADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262119098 139252504 /nfs/dbraw/zinc/25/25/04/139252504.db2.gz LTHDUMICSGFEQB-HNNXBMFYSA-N 2 0 329.473 1.685 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCCC[NH2+]C3CC3)ccc21 ZINC000415855991 251034055 /nfs/dbraw/zinc/03/40/55/251034055.db2.gz DFSFOJOTJVKBPL-KRWDZBQOSA-N 2 0 344.459 1.432 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+](C2CCCC2)CC1)C(F)(F)F ZINC000416017715 251048270 /nfs/dbraw/zinc/04/82/70/251048270.db2.gz YEQBTUVNXZSARH-ZDUSSCGKSA-N 2 0 336.402 1.972 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112269544 220278161 /nfs/dbraw/zinc/27/81/61/220278161.db2.gz YIUTYYHEACTBHG-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP O=C(NC[C@H]1C[NH2+]C[C@H]1O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416832867 251113000 /nfs/dbraw/zinc/11/30/00/251113000.db2.gz WUXGLJXSBQDTBZ-HZPDHXFCSA-N 2 0 338.496 1.055 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]C[C@@H]1O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416832866 251113049 /nfs/dbraw/zinc/11/30/49/251113049.db2.gz WUXGLJXSBQDTBZ-HOTGVXAUSA-N 2 0 338.496 1.055 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000416873074 251113567 /nfs/dbraw/zinc/11/35/67/251113567.db2.gz RFYQYVAKUWSCLY-ULQDDVLXSA-N 2 0 340.512 1.408 20 0 EDADRP CC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000262302632 139268146 /nfs/dbraw/zinc/26/81/46/139268146.db2.gz BRKCRYOATVRYSN-FYWHAIQOSA-N 2 0 337.508 1.444 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCC[NH2+]CC1)Cc1ccccc1 ZINC000417012881 251130043 /nfs/dbraw/zinc/13/00/43/251130043.db2.gz XVWDAZDQFFMZJW-GOSISDBHSA-N 2 0 332.492 1.944 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000417014318 251132122 /nfs/dbraw/zinc/13/21/22/251132122.db2.gz DDAKFKQOAYYUQM-OWCLPIDISA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417026901 251139513 /nfs/dbraw/zinc/13/95/13/251139513.db2.gz STFKWMCTNOGJDC-CVEARBPZSA-N 2 0 333.480 1.234 20 0 EDADRP C[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1C[NH2+]C1 ZINC000262325625 139270396 /nfs/dbraw/zinc/27/03/96/139270396.db2.gz FZVGACWSTZZQMW-CQSZACIVSA-N 2 0 331.460 1.115 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000417498019 251181154 /nfs/dbraw/zinc/18/11/54/251181154.db2.gz CVOIGXGPUKAYND-OAHLLOKOSA-N 2 0 326.485 1.304 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417436127 251172849 /nfs/dbraw/zinc/17/28/49/251172849.db2.gz CXKRQVPNBCWKNK-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417573696 251192314 /nfs/dbraw/zinc/19/23/14/251192314.db2.gz XPIIASUQSRYBMT-PBHICJAKSA-N 2 0 334.464 1.616 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000262386251 139275239 /nfs/dbraw/zinc/27/52/39/139275239.db2.gz NQRTYNDRAIRNKZ-MOPGFXCFSA-N 2 0 345.487 1.954 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417584130 251198692 /nfs/dbraw/zinc/19/86/92/251198692.db2.gz AWZBZAISEQFXCI-HNNXBMFYSA-N 2 0 334.464 1.555 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417590182 251200038 /nfs/dbraw/zinc/20/00/38/251200038.db2.gz HLAALNPJIPCWEF-MRXNPFEDSA-N 2 0 334.464 1.698 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C2(COC)CC[NH2+]CC2)c1 ZINC000262402841 139276527 /nfs/dbraw/zinc/27/65/27/139276527.db2.gz RHCMRNSJNVHVRU-UHFFFAOYSA-N 2 0 333.476 1.771 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH3+])[C@H](C)C1 ZINC000417670909 251222349 /nfs/dbraw/zinc/22/23/49/251222349.db2.gz PCIPAEJWNFBQSO-CVEARBPZSA-N 2 0 342.528 1.940 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262421221 139278007 /nfs/dbraw/zinc/27/80/07/139278007.db2.gz RUKNUOMPUITQEM-LJQANCHMSA-N 2 0 345.487 1.736 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000262424233 139278149 /nfs/dbraw/zinc/27/81/49/139278149.db2.gz SBKMMATZJAGVMR-DOTOQJQBSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000417749744 251254564 /nfs/dbraw/zinc/25/45/64/251254564.db2.gz JNKHWWXMTOEFSA-WBVHZDCISA-N 2 0 339.528 1.077 20 0 EDADRP COCC1(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC[NH2+]CC1 ZINC000262448484 139279782 /nfs/dbraw/zinc/27/97/82/139279782.db2.gz ZGDPDAFRYOWADI-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417825764 251287091 /nfs/dbraw/zinc/28/70/91/251287091.db2.gz NMCWUKIECBIEQT-FHLIZLRMSA-N 2 0 330.476 1.934 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000417830865 251288147 /nfs/dbraw/zinc/28/81/47/251288147.db2.gz BPDOEMNWTBHJSV-QGZVFWFLSA-N 2 0 340.512 1.422 20 0 EDADRP COCC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC[NH2+]CC1 ZINC000418109788 251325247 /nfs/dbraw/zinc/32/52/47/251325247.db2.gz DCOGPHCRLBRSHJ-INIZCTEOSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2(C)CC[NH2+]CC2)CCCO1 ZINC000418123442 251334202 /nfs/dbraw/zinc/33/42/02/251334202.db2.gz YWVTZZZYLAYOOH-OAHLLOKOSA-N 2 0 326.485 1.176 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262546405 139285629 /nfs/dbraw/zinc/28/56/29/139285629.db2.gz ODBAPIIKCCRCFI-OAHLLOKOSA-N 2 0 339.505 1.797 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418193016 251352725 /nfs/dbraw/zinc/35/27/25/251352725.db2.gz MXKCKXOFTSCJIT-HOCLYGCPSA-N 2 0 349.479 1.339 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418319230 251359887 /nfs/dbraw/zinc/35/98/87/251359887.db2.gz OOQFEWPNQMTQDN-WMLDXEAASA-N 2 0 334.464 1.597 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418639971 251382973 /nfs/dbraw/zinc/38/29/73/251382973.db2.gz MKYMFBOAZOHLAP-QGZVFWFLSA-N 2 0 338.496 1.439 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418687656 251385935 /nfs/dbraw/zinc/38/59/35/251385935.db2.gz RMYTYBKPZOFZHQ-IYARVYRRSA-N 2 0 332.492 1.965 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000418689117 251386038 /nfs/dbraw/zinc/38/60/38/251386038.db2.gz UZNPRUSBGWRIAG-ZWKOTPCHSA-N 2 0 328.460 1.479 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000420083908 251590629 /nfs/dbraw/zinc/59/06/29/251590629.db2.gz UWCJZJHMGDKHLR-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)ccc1C[NH+](C)C ZINC000415587998 304233794 /nfs/dbraw/zinc/23/37/94/304233794.db2.gz ZLZKRIBXRKRZLZ-HIFRSBDPSA-N 2 0 332.448 1.191 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000423071264 252033470 /nfs/dbraw/zinc/03/34/70/252033470.db2.gz FAHKCXSNAQAVLX-RDJZCZTQSA-N 2 0 340.489 1.714 20 0 EDADRP C[N@H+](CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C1CCCCC1 ZINC000423322053 252045936 /nfs/dbraw/zinc/04/59/36/252045936.db2.gz GVPJTFVUHQLBJH-KRWDZBQOSA-N 2 0 333.480 1.802 20 0 EDADRP C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[NH+]1CCC(C)CC1 ZINC000423357499 252052227 /nfs/dbraw/zinc/05/22/27/252052227.db2.gz MCXPWOKTHCEERK-RDJZCZTQSA-N 2 0 333.480 1.658 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423858467 252093930 /nfs/dbraw/zinc/09/39/30/252093930.db2.gz ZQEPUTHBCIFSLC-KRWDZBQOSA-N 2 0 331.460 1.475 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)C2)nn1 ZINC000424013936 252114357 /nfs/dbraw/zinc/11/43/57/252114357.db2.gz LBWKHFILTZAFOM-HOTGVXAUSA-N 2 0 334.468 1.198 20 0 EDADRP Cc1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[nH]n1 ZINC000424021903 252116474 /nfs/dbraw/zinc/11/64/74/252116474.db2.gz SEHUVATZNUBVFW-UHFFFAOYSA-N 2 0 327.432 1.441 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423793632 252077211 /nfs/dbraw/zinc/07/72/11/252077211.db2.gz IWJBAWFOQBUGEX-BPQIPLTHSA-N 2 0 330.476 1.750 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423801329 252080509 /nfs/dbraw/zinc/08/05/09/252080509.db2.gz SUUOFCFXARXVEQ-SQNIBIBYSA-N 2 0 330.476 1.750 20 0 EDADRP Cn1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424148685 252145297 /nfs/dbraw/zinc/14/52/97/252145297.db2.gz UTWGSYNOZPXWDT-JKSUJKDBSA-N 2 0 345.491 1.445 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424148920 252145421 /nfs/dbraw/zinc/14/54/21/252145421.db2.gz VFLXZUOUDCEXMB-GJZGRUSLSA-N 2 0 333.480 1.681 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424154840 252147719 /nfs/dbraw/zinc/14/77/19/252147719.db2.gz MFBVIVUWZJXTSF-HUUCEWRRSA-N 2 0 334.468 1.053 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000424165870 252151143 /nfs/dbraw/zinc/15/11/43/252151143.db2.gz BSHLVKHDJXIEKI-WLYUNCDWSA-N 2 0 331.464 1.623 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000262940102 139314059 /nfs/dbraw/zinc/31/40/59/139314059.db2.gz UKADVRMNMZQHNT-QAPCUYQASA-N 2 0 333.476 1.899 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCCc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424284248 252190264 /nfs/dbraw/zinc/19/02/64/252190264.db2.gz DFZRAPBMDMXGPU-HNNXBMFYSA-N 2 0 333.451 1.948 20 0 EDADRP COC1(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]CC1 ZINC000163854100 532971899 /nfs/dbraw/zinc/97/18/99/532971899.db2.gz HRQWXXZWMBHJRB-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[NH2+]C1 ZINC000263107128 139322726 /nfs/dbraw/zinc/32/27/26/139322726.db2.gz AAQBWKPUPOMMRK-AWEZNQCLSA-N 2 0 327.350 1.615 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378269391 285026442 /nfs/dbraw/zinc/02/64/42/285026442.db2.gz GQTDDEIDRGAKRY-GDBMZVCRSA-N 2 0 329.510 1.041 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263198756 139327827 /nfs/dbraw/zinc/32/78/27/139327827.db2.gz IUWKDGJDSANRJR-APWZRJJASA-N 2 0 345.491 1.357 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263273278 139332373 /nfs/dbraw/zinc/33/23/73/139332373.db2.gz SMPCPRNWRRMDIW-JFIYKMOQSA-N 2 0 325.497 1.853 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CC[C@](C)(C[NH3+])C3)ccc21 ZINC000415682714 304255803 /nfs/dbraw/zinc/25/58/03/304255803.db2.gz BSLREBHKJZSAFE-VQIMIIECSA-N 2 0 344.459 1.371 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000112741891 220393170 /nfs/dbraw/zinc/39/31/70/220393170.db2.gz OWOWGPDULKEBCM-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000263719895 139355555 /nfs/dbraw/zinc/35/55/55/139355555.db2.gz FMTRTCLIPZHXNO-UHFFFAOYSA-N 2 0 333.476 1.981 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCSC1 ZINC000487556064 255032793 /nfs/dbraw/zinc/03/27/93/255032793.db2.gz VRGZJEHPIXKARB-IRXDYDNUSA-N 2 0 335.517 1.618 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[NH+]1C ZINC000341018999 285244294 /nfs/dbraw/zinc/24/42/94/285244294.db2.gz QEOMMEOGRZKPEM-DLBZAZTESA-N 3 0 339.528 1.138 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000494683982 255257900 /nfs/dbraw/zinc/25/79/00/255257900.db2.gz XVVMPSGEMOBJNE-SOLBZPMBSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000494698751 255258686 /nfs/dbraw/zinc/25/86/86/255258686.db2.gz KRMQPSKIBGPMGZ-KRWDZBQOSA-N 3 0 345.491 1.242 20 0 EDADRP O=C1O[C@@]2(CN1CN1CC[C@@H](C[NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000496007081 255340570 /nfs/dbraw/zinc/34/05/70/255340570.db2.gz ACKVXMKJJNJPJK-QFBILLFUSA-N 2 0 348.491 1.278 20 0 EDADRP CC(C)[NH+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C(C)C ZINC000496259945 255371813 /nfs/dbraw/zinc/37/18/13/255371813.db2.gz BTEABOVJYZRCDJ-UHFFFAOYSA-N 2 0 329.489 1.744 20 0 EDADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000154801977 224307774 /nfs/dbraw/zinc/30/77/74/224307774.db2.gz MPIDCMGUWBQIAZ-UHFFFAOYSA-N 2 0 346.475 1.631 20 0 EDADRP CC[N@H+](CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1)C1CC1 ZINC000328621225 258035640 /nfs/dbraw/zinc/03/56/40/258035640.db2.gz HOUUBDXUYJITAF-HNAYVOBHSA-N 2 0 347.507 1.746 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000264280872 139393226 /nfs/dbraw/zinc/39/32/26/139393226.db2.gz RNXDVYYSOFRSKK-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000415881396 304283769 /nfs/dbraw/zinc/28/37/69/304283769.db2.gz IFCALRHKMXJGFX-GASCZTMLSA-N 2 0 346.475 1.953 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000571183119 306560308 /nfs/dbraw/zinc/56/03/08/306560308.db2.gz NBYOTOVPEIMFLQ-WMZOPIPTSA-N 2 0 346.475 1.883 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc3ncccc3c2)CC1 ZINC000271195083 140254601 /nfs/dbraw/zinc/25/46/01/140254601.db2.gz SDSKETOQDNIBIF-IBGZPJMESA-N 2 0 338.455 1.973 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000332536171 141198681 /nfs/dbraw/zinc/19/86/81/141198681.db2.gz IYTNEMGGVFWWNK-LSDHHAIUSA-N 2 0 347.463 1.405 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000332543427 141199903 /nfs/dbraw/zinc/19/99/03/141199903.db2.gz LXDNNGGYIWKCOF-ZBFHGGJFSA-N 2 0 331.464 1.962 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[NH2+]CC1 ZINC000333194744 141279144 /nfs/dbraw/zinc/27/91/44/141279144.db2.gz TVGLNNMSUJYCHF-UHFFFAOYSA-N 2 0 331.464 1.574 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333571103 141338777 /nfs/dbraw/zinc/33/87/77/141338777.db2.gz MMCHTQYFRLTGHD-KRWDZBQOSA-N 2 0 338.496 1.461 20 0 EDADRP COCC1(CNC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC[NH2+]CC1 ZINC000333648565 141350143 /nfs/dbraw/zinc/35/01/43/141350143.db2.gz JKMCSWNDKCACFE-MRXNPFEDSA-N 2 0 338.496 1.176 20 0 EDADRP Cc1ncc(CN2CCN(C(=O)N[C@@H]3CC[NH2+]C[C@H]3C)CC2)s1 ZINC000333756660 141374147 /nfs/dbraw/zinc/37/41/47/141374147.db2.gz ZWVILUIRHRONNG-IUODEOHRSA-N 2 0 337.493 1.277 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333811932 141385881 /nfs/dbraw/zinc/38/58/81/141385881.db2.gz FVRLYTIWEVSDTA-NJAFHUGGSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333833157 141390569 /nfs/dbraw/zinc/39/05/69/141390569.db2.gz JTVFSHRVMRIWKU-SZMVWBNQSA-N 2 0 337.508 1.852 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)N2CCc3ccccc32)CC1 ZINC000333856220 141395593 /nfs/dbraw/zinc/39/55/93/141395593.db2.gz ORBDBQIGXBMDLU-FXAWDEMLSA-N 2 0 343.471 1.794 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](CCCOC)CC1)C(C)C ZINC000339371412 142029242 /nfs/dbraw/zinc/02/92/42/142029242.db2.gz ITVDZSYSBZYJKS-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339596313 142087796 /nfs/dbraw/zinc/08/77/96/142087796.db2.gz FAMHMUCUASMBBV-HNNXBMFYSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339738270 142139893 /nfs/dbraw/zinc/13/98/93/142139893.db2.gz SONLQPHVXWKCCJ-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000345100068 143050439 /nfs/dbraw/zinc/05/04/39/143050439.db2.gz FSKJXZDJVMUXHQ-INMHGKMJSA-N 2 0 340.537 1.692 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000345183428 143061974 /nfs/dbraw/zinc/06/19/74/143061974.db2.gz KDVVZLYWBMKOEY-WMZOPIPTSA-N 2 0 343.475 1.150 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000345209064 143064728 /nfs/dbraw/zinc/06/47/28/143064728.db2.gz KKWVOZCMTYZLND-FUHWJXTLSA-N 2 0 345.487 1.327 20 0 EDADRP CC(C)(CNC(=O)[C@@H]([NH3+])CC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000345686278 143121323 /nfs/dbraw/zinc/12/13/23/143121323.db2.gz AHZRBIXPUGABAJ-AWEZNQCLSA-N 2 0 325.403 1.922 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccccc2C[NH+](C)C)C[C@H](C)O1 ZINC000345938579 143149262 /nfs/dbraw/zinc/14/92/62/143149262.db2.gz XYZPEKXOFWDMEC-IYBDPMFKSA-N 2 0 333.476 1.977 20 0 EDADRP COc1cc(C[NH+]2CCC(OCCC[NH3+])CC2)cc2c1OCCO2 ZINC000346688557 143232315 /nfs/dbraw/zinc/23/23/15/143232315.db2.gz XVJHYGPOMFMBBD-UHFFFAOYSA-N 2 0 336.432 1.796 20 0 EDADRP COC1(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)CCOCC1 ZINC000368050449 292110761 /nfs/dbraw/zinc/11/07/61/292110761.db2.gz GEKCGPLXXVDWGO-KRWDZBQOSA-N 2 0 325.497 1.141 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000416842855 304351073 /nfs/dbraw/zinc/35/10/73/304351073.db2.gz NRTVYDBHRGLNRL-FGTMMUONSA-N 2 0 346.475 1.409 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]1CCCC1 ZINC000416856228 304352153 /nfs/dbraw/zinc/35/21/53/304352153.db2.gz WVJRKMRBSDSFCA-GDBMZVCRSA-N 2 0 334.464 1.821 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]2CCCC2)c1 ZINC000416857689 304352366 /nfs/dbraw/zinc/35/23/66/304352366.db2.gz SEIVUFJZDBNOEM-MRXNPFEDSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416974152 304358730 /nfs/dbraw/zinc/35/87/30/304358730.db2.gz WKKXSJVVNIITQF-RBSFLKMASA-N 2 0 334.464 1.442 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000355400706 150253973 /nfs/dbraw/zinc/25/39/73/150253973.db2.gz UBYXLGHBUANSHA-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CC[C@H](C)[C@H](OC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000355451430 150273320 /nfs/dbraw/zinc/27/33/20/150273320.db2.gz YFRAHFPNDGLOII-ULQDDVLXSA-N 2 0 327.513 1.922 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417050401 304367066 /nfs/dbraw/zinc/36/70/66/304367066.db2.gz WXWYEALGMIBYOI-SJORKVTESA-N 2 0 339.528 1.315 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cc3c(cc2F)NC(=O)CC3)CC1 ZINC000357364158 151007884 /nfs/dbraw/zinc/00/78/84/151007884.db2.gz PFOFVNZBINVBNX-UHFFFAOYSA-N 2 0 348.422 1.852 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357670672 151109975 /nfs/dbraw/zinc/10/99/75/151109975.db2.gz WMTHYSYQAXYLAL-GVDBMIGSSA-N 2 0 342.528 1.905 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC[NH2+]CC1 ZINC000417859096 292242037 /nfs/dbraw/zinc/24/20/37/292242037.db2.gz QSZVLWNXENURTO-AWEZNQCLSA-N 2 0 328.501 1.278 20 0 EDADRP CSC1(CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC[NH+](C)CC1 ZINC000358140996 151285482 /nfs/dbraw/zinc/28/54/82/151285482.db2.gz POOHZUTYQJWGJU-AWEZNQCLSA-N 2 0 330.542 1.842 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358235722 151314483 /nfs/dbraw/zinc/31/44/83/151314483.db2.gz NNJHZFVIMRQJOP-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000358271128 151322400 /nfs/dbraw/zinc/32/24/00/151322400.db2.gz DWTRGHQUTJEUTO-GOSISDBHSA-N 2 0 344.459 1.613 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)C[NH+]2CCCC2)C1 ZINC000358270032 151322847 /nfs/dbraw/zinc/32/28/47/151322847.db2.gz VFYBONLYUDZHIS-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000358303482 151331974 /nfs/dbraw/zinc/33/19/74/151331974.db2.gz TXYNKRZVJCNYGJ-OAHLLOKOSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506375 151398584 /nfs/dbraw/zinc/39/85/84/151398584.db2.gz JSRICOXQSRNNRU-OAHLLOKOSA-N 2 0 333.451 1.948 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCc1c(F)cccc1F ZINC000358504867 151398664 /nfs/dbraw/zinc/39/86/64/151398664.db2.gz JERVMTQJZAWBRB-UHFFFAOYSA-N 2 0 337.414 1.699 20 0 EDADRP CSC1(CNC(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360694195 152157228 /nfs/dbraw/zinc/15/72/28/152157228.db2.gz MAARIYCMEBCIII-KBPBESRZSA-N 2 0 328.526 1.405 20 0 EDADRP CSC1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000360694707 152157506 /nfs/dbraw/zinc/15/75/06/152157506.db2.gz MWPVBQWBMIXMBW-AWEZNQCLSA-N 2 0 326.510 1.303 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000360743691 152180379 /nfs/dbraw/zinc/18/03/79/152180379.db2.gz FYCHPTGPIJPVSQ-FMKPAKJESA-N 2 0 328.526 1.548 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742689 152180994 /nfs/dbraw/zinc/18/09/94/152180994.db2.gz ADLBRACKZFNQOV-BFYDXBDKSA-N 2 0 340.537 1.692 20 0 EDADRP O=C(CN1CCc2sccc2C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000370137559 155342974 /nfs/dbraw/zinc/34/29/74/155342974.db2.gz CRCXBXBOZSVFOZ-HNNXBMFYSA-N 2 0 349.500 1.287 20 0 EDADRP CN(C)c1nccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000361046012 152288234 /nfs/dbraw/zinc/28/82/34/152288234.db2.gz ZHEQDCYPHXHDBQ-IBGZPJMESA-N 2 0 341.459 1.269 20 0 EDADRP [NH3+]CCCNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417157152 304378806 /nfs/dbraw/zinc/37/88/06/304378806.db2.gz ULJPIGNWAIHWLM-UHFFFAOYSA-N 2 0 333.480 1.237 20 0 EDADRP Cc1nnc(CN[C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711589 153036715 /nfs/dbraw/zinc/03/67/15/153036715.db2.gz ZEJCFWBCRJDOOP-XOKHGSTOSA-N 2 0 333.480 1.900 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000417186295 304382161 /nfs/dbraw/zinc/38/21/61/304382161.db2.gz WPGFOUYGZCKRCQ-GDBMZVCRSA-N 2 0 334.464 1.869 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000363897508 153090077 /nfs/dbraw/zinc/09/00/77/153090077.db2.gz PSJMDOJIAIBXKB-RRQGHBQHSA-N 2 0 332.448 1.471 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000364275662 153194042 /nfs/dbraw/zinc/19/40/42/153194042.db2.gz ZUAWVUUTMBXDGS-SFHVURJKSA-N 2 0 344.503 1.647 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000364578771 153277500 /nfs/dbraw/zinc/27/75/00/153277500.db2.gz DTZHCBMDBHHDAO-HNNXBMFYSA-N 2 0 331.464 1.413 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000364652041 153294680 /nfs/dbraw/zinc/29/46/80/153294680.db2.gz ZYPUQBMIFBRFSC-KRWDZBQOSA-N 2 0 345.491 1.194 20 0 EDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000364854372 153352053 /nfs/dbraw/zinc/35/20/53/153352053.db2.gz KJCLSISSVXZCSL-DJIMGWMZSA-N 2 0 345.491 1.522 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367743862 154251200 /nfs/dbraw/zinc/25/12/00/154251200.db2.gz JFJUYJSUXYQQRY-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000417345056 304392980 /nfs/dbraw/zinc/39/29/80/304392980.db2.gz SUGJZSXIXQKQAX-CRAIPNDOSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@H](CNC(=O)N1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417348736 304393697 /nfs/dbraw/zinc/39/36/97/304393697.db2.gz ZCFFFAHPEOMOPH-CRAIPNDOSA-N 2 0 330.476 1.956 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)C3CC[NH+](Cc4ccccc4)CC3)C[C@H]2C1 ZINC000369493204 155057527 /nfs/dbraw/zinc/05/75/27/155057527.db2.gz YEPZJNIWXHDNNY-KDURUIRLSA-N 2 0 327.472 1.919 20 0 EDADRP C[C@@H](C(=O)N1CCC[NH+](C2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369535135 155076466 /nfs/dbraw/zinc/07/64/66/155076466.db2.gz NXBUQYJQURBUDS-BBWFWOEESA-N 2 0 337.508 1.961 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000369559722 155087696 /nfs/dbraw/zinc/08/76/96/155087696.db2.gz HXBFYQTVZOYWRL-DLBZAZTESA-N 2 0 345.491 1.898 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000417484045 304399628 /nfs/dbraw/zinc/39/96/28/304399628.db2.gz UFGNQKFDNBSFTC-UHFFFAOYSA-N 2 0 348.491 1.958 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458439811 292335815 /nfs/dbraw/zinc/33/58/15/292335815.db2.gz LZOZZJHZUFARNY-QGZVFWFLSA-N 2 0 326.485 1.082 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000417529744 304403731 /nfs/dbraw/zinc/40/37/31/304403731.db2.gz RIAQORLWUQSLBK-QGZVFWFLSA-N 2 0 348.491 1.468 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NC[C@H](C)[NH+](C)C2CC2)CC1 ZINC000371762238 292351600 /nfs/dbraw/zinc/35/16/00/292351600.db2.gz GAQAAGOMBSNXQO-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585137 157336937 /nfs/dbraw/zinc/33/69/37/157336937.db2.gz NXEKBDBKBGXBHJ-AITUJVMLSA-N 2 0 345.487 1.862 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378187659 158103140 /nfs/dbraw/zinc/10/31/40/158103140.db2.gz OHVRZKQZSYPELR-HZPDHXFCSA-N 2 0 333.480 1.568 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352408691 162168158 /nfs/dbraw/zinc/16/81/58/162168158.db2.gz WFUVCBBSSVSTMJ-INIZCTEOSA-N 2 0 327.476 1.813 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421461 162174931 /nfs/dbraw/zinc/17/49/31/162174931.db2.gz CQZRWVNIWSVQNI-IAGOWNOFSA-N 2 0 344.459 1.286 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)N1CCO[C@@H]2CCCC[C@H]21)CC1CCCC1 ZINC000352508006 162218867 /nfs/dbraw/zinc/21/88/67/162218867.db2.gz GBJSVFJHLQRZEY-QZTJIDSGSA-N 2 0 337.508 1.997 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000418057698 304452396 /nfs/dbraw/zinc/45/23/96/304452396.db2.gz NCCCTULLIAKREZ-KDURUIRLSA-N 2 0 344.503 1.932 20 0 EDADRP CCOc1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000112293328 287340333 /nfs/dbraw/zinc/34/03/33/287340333.db2.gz BUWASEZEXBOPHX-UHFFFAOYSA-N 2 0 342.871 1.699 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[C@H](CO)CC1 ZINC000665759251 452327110 /nfs/dbraw/zinc/32/71/10/452327110.db2.gz AXWKYOXLDYXROV-JYJNAYRXSA-N 2 0 328.501 1.109 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[NH2+]CC1 ZINC000418396030 304490845 /nfs/dbraw/zinc/49/08/45/304490845.db2.gz ZCRQCNZPEFEVTN-HNNXBMFYSA-N 2 0 326.485 1.209 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000130191259 287488227 /nfs/dbraw/zinc/48/82/27/287488227.db2.gz YWFDPLYIZLBODY-GOSISDBHSA-N 2 0 342.528 1.356 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418471075 304499811 /nfs/dbraw/zinc/49/98/11/304499811.db2.gz LVPQPWMUSNZTDT-LBPRGKRZSA-N 2 0 328.407 1.633 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418480860 304500605 /nfs/dbraw/zinc/50/06/05/304500605.db2.gz CVNVCQOLYKCASP-IXPVHAAZSA-N 2 0 326.391 1.304 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652209514 452404123 /nfs/dbraw/zinc/40/41/23/452404123.db2.gz NEKNGQRGVSSMKD-ZNMIVQPWSA-N 2 0 326.485 1.432 20 0 EDADRP CC1(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000193363080 272991627 /nfs/dbraw/zinc/99/16/27/272991627.db2.gz VJSIBUNKMNENAE-UHFFFAOYSA-N 2 0 344.503 1.847 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000274915312 268237611 /nfs/dbraw/zinc/23/76/11/268237611.db2.gz VVZQSEFWAZMARE-OAHLLOKOSA-N 2 0 332.448 1.592 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1 ZINC000275543911 268358356 /nfs/dbraw/zinc/35/83/56/268358356.db2.gz SWADTDUQSVZHEZ-GOEBONIOSA-N 2 0 336.432 1.096 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000278244828 273256382 /nfs/dbraw/zinc/25/63/82/273256382.db2.gz LWVDDJNPKMNWAM-GOSISDBHSA-N 2 0 348.491 1.767 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000278246897 273256651 /nfs/dbraw/zinc/25/66/51/273256651.db2.gz MDQDZQPRHVZHMW-RHSMWYFYSA-N 2 0 335.448 1.710 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)NCCF)c1ccc(OCC[NH+](C)C)cc1 ZINC000282793550 273719366 /nfs/dbraw/zinc/71/93/66/273719366.db2.gz QIURTALTPISFAR-KGLIPLIRSA-N 2 0 325.428 1.752 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000284830676 274349812 /nfs/dbraw/zinc/34/98/12/274349812.db2.gz MQKRVQVBBFYWCP-NZSAHSFTSA-N 2 0 345.487 1.591 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC000181633208 276202838 /nfs/dbraw/zinc/20/28/38/276202838.db2.gz YIBSYRKSDPWSAJ-AWEZNQCLSA-N 2 0 336.455 1.706 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356610628 276254328 /nfs/dbraw/zinc/25/43/28/276254328.db2.gz UNUQLGKZWPILJN-MSOLQXFVSA-N 2 0 338.540 1.593 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000246184011 277003115 /nfs/dbraw/zinc/00/31/15/277003115.db2.gz HNTJUXASFNNIDW-QGZVFWFLSA-N 2 0 344.503 1.914 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000378205078 277106161 /nfs/dbraw/zinc/10/61/61/277106161.db2.gz MIBQAMSJNXEAPH-MSOLQXFVSA-N 2 0 330.476 1.091 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878330 277112447 /nfs/dbraw/zinc/11/24/47/277112447.db2.gz IZKPRUOHNBDTPP-GBESFXJTSA-N 3 0 343.519 1.844 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000457891545 277150375 /nfs/dbraw/zinc/15/03/75/277150375.db2.gz BBBWISMGYIOXSL-INIZCTEOSA-N 2 0 340.512 1.395 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843831 277236699 /nfs/dbraw/zinc/23/66/99/277236699.db2.gz ZGLAHIOXAHAKHX-HNNXBMFYSA-N 2 0 346.475 1.675 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000367403188 277319932 /nfs/dbraw/zinc/31/99/32/277319932.db2.gz VVDXCSWIFUXCGG-GJZGRUSLSA-N 2 0 325.453 1.134 20 0 EDADRP CS(=O)(=O)CCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385924 277493604 /nfs/dbraw/zinc/49/36/04/277493604.db2.gz WYDLTJKVUJLFLC-RDJZCZTQSA-N 2 0 338.473 1.657 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110048 278193111 /nfs/dbraw/zinc/19/31/11/278193111.db2.gz JZBBCVLPJXMCFO-IKGGRYGDSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258526 278210372 /nfs/dbraw/zinc/21/03/72/278210372.db2.gz WKXQIBMRBIOYMM-VVLHAWIVSA-N 2 0 336.524 1.532 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000346337270 279187929 /nfs/dbraw/zinc/18/79/29/279187929.db2.gz NTUPEVYMSGPIKF-QGZVFWFLSA-N 2 0 325.497 1.679 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092526 279270108 /nfs/dbraw/zinc/27/01/08/279270108.db2.gz HHMBTYFEHGNDLY-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccnc1OC ZINC000263815302 279329555 /nfs/dbraw/zinc/32/95/55/279329555.db2.gz PBMIFBLBGLZKEO-HNNXBMFYSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000341936715 288129526 /nfs/dbraw/zinc/12/95/26/288129526.db2.gz ANUIONSRGBNMPT-XPKDYRNWSA-N 2 0 326.510 1.206 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C[C@@H](C)O1 ZINC000361401014 288153541 /nfs/dbraw/zinc/15/35/41/288153541.db2.gz UPKBJYYIISVJFX-IIDMSEBBSA-N 2 0 335.492 1.571 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000373844660 279761818 /nfs/dbraw/zinc/76/18/18/279761818.db2.gz KSZKSKBCNLZGFV-INIZCTEOSA-N 2 0 332.452 1.324 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CCN1C1CC[NH+](C)CC1 ZINC000343713696 288185088 /nfs/dbraw/zinc/18/50/88/288185088.db2.gz GXDZZCBHPIUXEI-NVXWUHKLSA-N 2 0 327.513 1.263 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000418165907 280279080 /nfs/dbraw/zinc/27/90/80/280279080.db2.gz IREAXSYZFSCMFZ-OAHLLOKOSA-N 2 0 327.517 1.027 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000458559388 282060307 /nfs/dbraw/zinc/06/03/07/282060307.db2.gz VLMTXMXTLSSWOA-HUUCEWRRSA-N 2 0 326.485 1.004 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000289822029 288785448 /nfs/dbraw/zinc/78/54/48/288785448.db2.gz OGARSXPIIBKUAL-UHFFFAOYSA-N 2 0 349.475 1.586 20 0 EDADRP Cc1cnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000291679400 289147608 /nfs/dbraw/zinc/14/76/08/289147608.db2.gz DMEWGHHORVTKQY-UHFFFAOYSA-N 2 0 329.404 1.320 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCC[C@@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291733019 289164707 /nfs/dbraw/zinc/16/47/07/289164707.db2.gz JRDGQKPGZIQKRY-WOJBJXKFSA-N 2 0 332.488 1.759 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CCCCC1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342142730 289334082 /nfs/dbraw/zinc/33/40/82/289334082.db2.gz WBBKOUWVUOLYSX-BFJAYTPKSA-N 2 0 336.480 1.593 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748774 289399534 /nfs/dbraw/zinc/39/95/34/289399534.db2.gz XRUSBEQIRBFURI-WBVHZDCISA-N 2 0 340.537 1.694 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262296891 297356481 /nfs/dbraw/zinc/35/64/81/297356481.db2.gz PGPKWRXMMIVPTC-GASCZTMLSA-N 2 0 325.497 1.615 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418627290 304520803 /nfs/dbraw/zinc/52/08/03/304520803.db2.gz AQXLOKNRXVZITQ-FUHWJXTLSA-N 2 0 326.444 1.529 20 0 EDADRP COC[C@@]1(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CCC[NH2+]1 ZINC000418655430 304526502 /nfs/dbraw/zinc/52/65/02/304526502.db2.gz NJJADXPZQDHJOR-KRWDZBQOSA-N 2 0 328.501 1.515 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000418933457 304552497 /nfs/dbraw/zinc/55/24/97/304552497.db2.gz IZOQYHCDOIFXFS-HOTGVXAUSA-N 2 0 340.512 1.058 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000418934847 304552651 /nfs/dbraw/zinc/55/26/51/304552651.db2.gz LEQDDEGPEDSTCF-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CC[C@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000261866590 297839502 /nfs/dbraw/zinc/83/95/02/297839502.db2.gz RWPLOSPOUWAXMA-CABCVRRESA-N 2 0 340.265 1.820 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419013708 304556073 /nfs/dbraw/zinc/55/60/73/304556073.db2.gz HCQOWVCSGXWNRZ-HNNXBMFYSA-N 2 0 346.475 1.142 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419723777 304671915 /nfs/dbraw/zinc/67/19/15/304671915.db2.gz OQDHMNCSNOKGRI-UHFFFAOYSA-N 2 0 326.485 1.046 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000372842840 447311867 /nfs/dbraw/zinc/31/18/67/447311867.db2.gz QWAFVOBKIKGFAJ-SOLBZPMBSA-N 2 0 349.519 1.866 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000422029034 447315676 /nfs/dbraw/zinc/31/56/76/447315676.db2.gz ZAWJBHHDBCNNNC-GOSISDBHSA-N 2 0 338.540 1.591 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)C[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000422028747 447316455 /nfs/dbraw/zinc/31/64/55/447316455.db2.gz XKGJOEXJHPFJPA-LJQANCHMSA-N 2 0 344.503 1.995 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000294212165 303078095 /nfs/dbraw/zinc/07/80/95/303078095.db2.gz WKAIRFPQJZEKDB-PKOBYXMFSA-N 2 0 344.503 1.832 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000297130302 303363143 /nfs/dbraw/zinc/36/31/43/303363143.db2.gz ZGVBJUFXCAVBQM-GOSISDBHSA-N 2 0 333.476 1.642 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)NC(=O)NCC(F)(F)F)CC1CCCC1 ZINC000352488009 303375973 /nfs/dbraw/zinc/37/59/73/303375973.db2.gz LDWUUNAYALRNOF-UHFFFAOYSA-N 2 0 338.374 1.216 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C[C@H]21 ZINC000333667172 303467892 /nfs/dbraw/zinc/46/78/92/303467892.db2.gz MLUPQFXNUHMVLS-QXDIGNSFSA-N 2 0 328.460 1.511 20 0 EDADRP [NH2+]=C1Nc2nc3ccccc3n2C2(CCN(c3cc[nH+]cc3)CC2)N1 ZINC000298768027 303554234 /nfs/dbraw/zinc/55/42/34/303554234.db2.gz DBOCBCDZPLIUQS-UHFFFAOYSA-N 2 0 333.399 1.934 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NCCC1=CC[NH2+]CC1)C(C)C ZINC000419665230 447331668 /nfs/dbraw/zinc/33/16/68/447331668.db2.gz NUJDTWBPTRFHNC-UHFFFAOYSA-N 2 0 338.496 1.038 20 0 EDADRP Fc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414862266 447333053 /nfs/dbraw/zinc/33/30/53/447333053.db2.gz HESQAPYJLHIVNA-UHFFFAOYSA-N 2 0 335.345 1.762 20 0 EDADRP C[C@H]1C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299550441 303627331 /nfs/dbraw/zinc/62/73/31/303627331.db2.gz LCBPJHWEZREVOZ-HOTGVXAUSA-N 2 0 331.464 1.549 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000419671749 447335917 /nfs/dbraw/zinc/33/59/17/447335917.db2.gz YSPIUFQIZOLHJF-HOTGVXAUSA-N 2 0 340.512 1.116 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)COCC(F)(F)F)CC[NH2+]CC1 ZINC000422942733 304880888 /nfs/dbraw/zinc/88/08/88/304880888.db2.gz JSHZVHXMNMJSLW-VXGBXAGGSA-N 2 0 340.386 1.865 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCO[C@@H](C)C1 ZINC000422984353 304882006 /nfs/dbraw/zinc/88/20/06/304882006.db2.gz ALEFSHYWJMAXIX-HRCADAONSA-N 2 0 341.521 1.853 20 0 EDADRP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1C[NH2+]C1 ZINC000423096194 304885740 /nfs/dbraw/zinc/88/57/40/304885740.db2.gz HFTOQUYHBVVMQD-NSHDSACASA-N 2 0 331.869 1.206 20 0 EDADRP NC(=O)NC(=O)CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377768924 447347000 /nfs/dbraw/zinc/34/70/00/447347000.db2.gz SXRGJQWSRITYPB-CVEARBPZSA-N 2 0 330.432 1.025 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000423377917 304893973 /nfs/dbraw/zinc/89/39/73/304893973.db2.gz BSNTUHCYHQBUII-AXFHLTTASA-N 2 0 349.319 1.522 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423412115 304894697 /nfs/dbraw/zinc/89/46/97/304894697.db2.gz WDSZUYJJMFAYDJ-HNNXBMFYSA-N 2 0 333.480 1.729 20 0 EDADRP COCC1(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC[NH2+]CC1 ZINC000423411191 304894822 /nfs/dbraw/zinc/89/48/22/304894822.db2.gz TUWJROIQLQQXIU-HNNXBMFYSA-N 2 0 329.448 1.934 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000423740309 304907252 /nfs/dbraw/zinc/90/72/52/304907252.db2.gz WUTJFVRUMUKMRS-UHFFFAOYSA-N 2 0 341.459 1.340 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000423919754 304916476 /nfs/dbraw/zinc/91/64/76/304916476.db2.gz UVLMNMYIPDMDAX-HXUWFJFHSA-N 2 0 327.472 1.908 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000424454878 304930232 /nfs/dbraw/zinc/93/02/32/304930232.db2.gz MNQKZHIPDVTRNT-HOCLYGCPSA-N 2 0 332.448 1.381 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000427314815 304988347 /nfs/dbraw/zinc/98/83/47/304988347.db2.gz MXCRPDHKLUJGST-INIZCTEOSA-N 2 0 330.476 1.942 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1F ZINC000430603583 305058178 /nfs/dbraw/zinc/05/81/78/305058178.db2.gz OALYLYCGBOXWIV-ZDUSSCGKSA-N 2 0 337.439 1.852 20 0 EDADRP C[C@@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCC[NH2+]C1 ZINC000430718725 305063243 /nfs/dbraw/zinc/06/32/43/305063243.db2.gz HLJCSQYDPUDVHC-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COC1C[NH2+]C1 ZINC000430804217 305064964 /nfs/dbraw/zinc/06/49/64/305064964.db2.gz CIZSTPPJTYNBLM-HUUCEWRRSA-N 2 0 331.460 1.248 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430917179 305068002 /nfs/dbraw/zinc/06/80/02/305068002.db2.gz XTZYCIOMPZLUNP-QGZVFWFLSA-N 2 0 346.475 1.492 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000430923965 305068492 /nfs/dbraw/zinc/06/84/92/305068492.db2.gz HDRCZAVMZQXZSQ-DZKIICNBSA-N 2 0 347.459 1.390 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)c2cc(OC)ccc2OC)CC1 ZINC000430955312 305070779 /nfs/dbraw/zinc/07/07/79/305070779.db2.gz LXIFNWWQTLCKPV-CQSZACIVSA-N 2 0 349.475 1.812 20 0 EDADRP Cc1nc(C)n(C[C@@H]2CCCN(Cc3nc(C(C)(C)[NH3+])no3)C2)n1 ZINC000431067158 305074263 /nfs/dbraw/zinc/07/42/63/305074263.db2.gz PFUYVXRGUJNJIM-CYBMUJFWSA-N 2 0 333.440 1.384 20 0 EDADRP CC(C)c1nc2c(n1C)CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C2 ZINC000433146813 305101669 /nfs/dbraw/zinc/10/16/69/305101669.db2.gz MNCRXCBCSNKEND-UHFFFAOYSA-N 2 0 347.507 1.632 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433385690 305107430 /nfs/dbraw/zinc/10/74/30/305107430.db2.gz YSKOEDCZGMVHQR-GJZGRUSLSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@@H+]1C ZINC000433411717 305108326 /nfs/dbraw/zinc/10/83/26/305108326.db2.gz QWECWKRQLOKIBT-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)[C@@H]1OCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000433968636 305116053 /nfs/dbraw/zinc/11/60/53/305116053.db2.gz SUTNUUAEKNTOFS-SJORKVTESA-N 2 0 327.513 1.780 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000435053841 305135700 /nfs/dbraw/zinc/13/57/00/305135700.db2.gz WSBCFIFZYBUDPK-HNNXBMFYSA-N 2 0 329.448 1.728 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2cncc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000439160037 305194773 /nfs/dbraw/zinc/19/47/73/305194773.db2.gz SSSHYBSTFWDMNP-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)[C@H]1CC[C@H](O)CC1)[C@H]1CC[C@H](O)CC1 ZINC000439290946 305196041 /nfs/dbraw/zinc/19/60/41/305196041.db2.gz CNVQFESTBVWNOL-OPMHRUBESA-N 2 0 328.497 1.474 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1C[C@H](C)N(C(=O)C[N@@H+](C)C(C)C)C[C@H]1C ZINC000441462377 305222303 /nfs/dbraw/zinc/22/23/03/305222303.db2.gz ZDCIKQTVESGBJX-IYBDPMFKSA-N 2 0 340.512 1.115 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000446264757 305262034 /nfs/dbraw/zinc/26/20/34/305262034.db2.gz LQONJGDWLVVXDS-RLFYNMQTSA-N 2 0 331.460 1.522 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCOCC1 ZINC000447958078 305289592 /nfs/dbraw/zinc/28/95/92/305289592.db2.gz DMJLDTKLGNQOET-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449102946 305306652 /nfs/dbraw/zinc/30/66/52/305306652.db2.gz NBFWEMOSMQZKES-DLXPNOHRSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000449340383 305311914 /nfs/dbraw/zinc/31/19/14/305311914.db2.gz OHUAYMMZOCIVHA-GDBMZVCRSA-N 2 0 344.459 1.258 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000449606523 305315301 /nfs/dbraw/zinc/31/53/01/305315301.db2.gz YXZNHMAEVVUVSX-HNNXBMFYSA-N 2 0 332.492 1.831 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451472078 305348672 /nfs/dbraw/zinc/34/86/72/305348672.db2.gz JSPNMHQQZGEOAE-IRXDYDNUSA-N 2 0 335.492 1.667 20 0 EDADRP CO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000451505752 305349933 /nfs/dbraw/zinc/34/99/33/305349933.db2.gz RTOPBVIDLUIFGE-GVDBMIGSSA-N 2 0 333.476 1.809 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458217036 305501907 /nfs/dbraw/zinc/50/19/07/305501907.db2.gz GGWNHZUYUCHMAM-HNNXBMFYSA-N 2 0 339.505 1.607 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000514788595 305705426 /nfs/dbraw/zinc/70/54/26/305705426.db2.gz LCOHQFWTEIDACF-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000515483327 305722740 /nfs/dbraw/zinc/72/27/40/305722740.db2.gz NBBBNKLFNINFST-RDJZCZTQSA-N 3 0 338.540 1.591 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000519695355 305773064 /nfs/dbraw/zinc/77/30/64/305773064.db2.gz RKBCJDZOAFUPIE-OAHLLOKOSA-N 2 0 340.537 1.728 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000529283576 305906733 /nfs/dbraw/zinc/90/67/33/305906733.db2.gz PMUYYSABPDKQEX-KRWDZBQOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000529914645 305927418 /nfs/dbraw/zinc/92/74/18/305927418.db2.gz VVZLKZXKSVUBAH-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000532230537 305977147 /nfs/dbraw/zinc/97/71/47/305977147.db2.gz DBMBXERWOQYGOG-LSDHHAIUSA-N 2 0 330.476 1.858 20 0 EDADRP Cc1ccccc1[C@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000556942842 306221545 /nfs/dbraw/zinc/22/15/45/306221545.db2.gz HNIMTDAFEVPRBN-SJLPKXTDSA-N 2 0 331.460 1.566 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC2CC[NH2+]CC2)CC1 ZINC000556947318 306221752 /nfs/dbraw/zinc/22/17/52/306221752.db2.gz DCRAWHRKCAGUMA-UHFFFAOYSA-N 2 0 345.491 1.950 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000557214634 306226436 /nfs/dbraw/zinc/22/64/36/306226436.db2.gz COGYZWOODGVCKY-UHFFFAOYSA-N 2 0 333.480 1.733 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414968082 447379139 /nfs/dbraw/zinc/37/91/39/447379139.db2.gz FMHUQMXXCLXNKN-CQSZACIVSA-N 2 0 345.365 1.399 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1O ZINC000414984321 447385121 /nfs/dbraw/zinc/38/51/21/447385121.db2.gz LWTFHSZFPIMNHM-AWEZNQCLSA-N 2 0 333.354 1.327 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)N[C@@H](C)C[NH3+])ccc1OC ZINC000415109497 447388542 /nfs/dbraw/zinc/38/85/42/447388542.db2.gz YGBHJZFBNOFCLK-ZDUSSCGKSA-N 2 0 338.452 1.885 20 0 EDADRP CC[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000422228650 447411906 /nfs/dbraw/zinc/41/19/06/447411906.db2.gz AMPGWHMYSLPDHD-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419794708 447416112 /nfs/dbraw/zinc/41/61/12/447416112.db2.gz HIXMCBVNOHAYAV-UAGQMJEPSA-N 2 0 346.475 1.134 20 0 EDADRP COCCC[C@@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378496627 447434425 /nfs/dbraw/zinc/43/44/25/447434425.db2.gz QBDHIZODUJUWHJ-NVXWUHKLSA-N 2 0 325.497 1.676 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000105234092 441244162 /nfs/dbraw/zinc/24/41/62/441244162.db2.gz PKFCIMLLSMZWKB-INIZCTEOSA-N 2 0 341.544 1.384 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000081996877 441329429 /nfs/dbraw/zinc/32/94/29/441329429.db2.gz AKBYXGXNBFCXJJ-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CN1CC[NH+](CC)CC1)CC(C)C ZINC000073638325 441337058 /nfs/dbraw/zinc/33/70/58/441337058.db2.gz ZDZASNBKAKZPPI-KRWDZBQOSA-N 2 0 326.529 1.497 20 0 EDADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C(=O)NC(=O)NC1CC1 ZINC000028887814 441440447 /nfs/dbraw/zinc/44/04/47/441440447.db2.gz PRMMCVQQYXPUCS-CQSZACIVSA-N 2 0 346.475 1.995 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000065104939 441403339 /nfs/dbraw/zinc/40/33/39/441403339.db2.gz MAYIIRMAONKAQC-IBGZPJMESA-N 2 0 344.503 1.648 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000075007843 441485801 /nfs/dbraw/zinc/48/58/01/441485801.db2.gz IANMSNNMCFSEOP-MRXNPFEDSA-N 2 0 327.513 1.970 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000065542755 441456254 /nfs/dbraw/zinc/45/62/54/441456254.db2.gz WRGDTCMBFVFGRA-UHFFFAOYSA-N 2 0 336.480 1.386 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCC1 ZINC000458655264 447440524 /nfs/dbraw/zinc/44/05/24/447440524.db2.gz LLXROGIDIRZWGE-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP C[C@H](C1CC1)N(C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000066900534 441581563 /nfs/dbraw/zinc/58/15/63/441581563.db2.gz VCSRTDNMUHIUDQ-OAHLLOKOSA-N 2 0 348.557 1.167 20 0 EDADRP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCN(C)CC1 ZINC000114380006 441651537 /nfs/dbraw/zinc/65/15/37/441651537.db2.gz COTMECXPXRKCIR-MRXNPFEDSA-N 2 0 332.492 1.362 20 0 EDADRP Cc1cc(N2CC[C@@H]([NH+]3CCC(CC[NH+](C)C)CC3)C2=O)n(C)n1 ZINC000173559808 441791399 /nfs/dbraw/zinc/79/13/99/441791399.db2.gz OXROYUSYWYWYIN-MRXNPFEDSA-N 2 0 333.480 1.498 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(O)CCOC2)CC1 ZINC000092415178 441796280 /nfs/dbraw/zinc/79/62/80/441796280.db2.gz XVGDOCZXIDOBEG-QGZVFWFLSA-N 2 0 339.867 1.333 20 0 EDADRP C[C@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[NH+]1CCCCCC1 ZINC000173642415 441811916 /nfs/dbraw/zinc/81/19/16/441811916.db2.gz LITNZQZAHRVPGT-QGZVFWFLSA-N 2 0 338.540 1.641 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)CC1 ZINC000077656302 441823328 /nfs/dbraw/zinc/82/33/28/441823328.db2.gz DXAWMENHQVCZHL-IBGZPJMESA-N 2 0 339.524 1.896 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116549373 441829176 /nfs/dbraw/zinc/82/91/76/441829176.db2.gz MHAHFSZWTWBNHJ-JKSUJKDBSA-N 2 0 342.528 1.763 20 0 EDADRP Cc1nnc(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000043412603 441838682 /nfs/dbraw/zinc/83/86/82/441838682.db2.gz FZIKGYJGTXHYSN-UHFFFAOYSA-N 2 0 328.486 1.584 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCC[C@@H]([NH+]3CCCC3)CC2)[nH+]1 ZINC000092914457 441839764 /nfs/dbraw/zinc/83/97/64/441839764.db2.gz HSQSLAJCEXALRE-CQSZACIVSA-N 2 0 327.436 1.699 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174252244 441906610 /nfs/dbraw/zinc/90/66/10/441906610.db2.gz FRZKJZASWULDFR-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H](C)C(=O)NC)CC1 ZINC000093899449 441899246 /nfs/dbraw/zinc/89/92/46/441899246.db2.gz AWGRNSSDDYHYFA-MRXNPFEDSA-N 2 0 332.492 1.642 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NCCN2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000174549095 441938125 /nfs/dbraw/zinc/93/81/25/441938125.db2.gz MTWCAAWIAJJOEU-HUUCEWRRSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000174713165 441956231 /nfs/dbraw/zinc/95/62/31/441956231.db2.gz WFKKJCUIQKTOFA-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN(C)Cc2cc(Cl)cn2C)CC1 ZINC000120128071 442012700 /nfs/dbraw/zinc/01/27/00/442012700.db2.gz WAPJMRBITIKQPT-UHFFFAOYSA-N 2 0 326.872 1.711 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCCC3)CC2)C[C@@H](C)O1 ZINC000175796542 442124497 /nfs/dbraw/zinc/12/44/97/442124497.db2.gz QLWWGDWMOZXGIC-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000458672510 447446631 /nfs/dbraw/zinc/44/66/31/447446631.db2.gz YOUADRXUWLQYDT-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cnccn1 ZINC000163516441 442171419 /nfs/dbraw/zinc/17/14/19/442171419.db2.gz YXRKGKWYBNCAJV-CQSZACIVSA-N 2 0 333.480 1.754 20 0 EDADRP C[C@@H](CC(=O)NCC1CC[NH+](CCN(C)C)CC1)C1CC[NH2+]CC1 ZINC000165970945 442212839 /nfs/dbraw/zinc/21/28/39/442212839.db2.gz CSUNTLDFOPTVFB-INIZCTEOSA-N 2 0 338.540 1.402 20 0 EDADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000153401654 442280511 /nfs/dbraw/zinc/28/05/11/442280511.db2.gz SRNVYWYHOOKTGY-HDICACEKSA-N 2 0 344.503 1.798 20 0 EDADRP C[N@H+](CC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@@H]1CCSC1 ZINC000154217936 442327740 /nfs/dbraw/zinc/32/77/40/442327740.db2.gz SXDXNPUUBPHJIW-GOSISDBHSA-N 2 0 347.528 1.988 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000171217103 442329447 /nfs/dbraw/zinc/32/94/47/442329447.db2.gz CJDQNOXAURODRV-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](NC[C@H](O)C[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000154285263 442330354 /nfs/dbraw/zinc/33/03/54/442330354.db2.gz LXAZSJXZBWUMGR-HOCLYGCPSA-N 2 0 332.448 1.572 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000171236795 442332078 /nfs/dbraw/zinc/33/20/78/442332078.db2.gz FMTAPSCLIWMXDU-WCXIOVBPSA-N 2 0 325.497 1.721 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21 ZINC000130636071 442352371 /nfs/dbraw/zinc/35/23/71/442352371.db2.gz JDNROCFKVBQADV-CEXWTWQISA-N 2 0 344.503 1.850 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC[NH+]2CCCCC2)CCOCC1 ZINC000172220706 442425299 /nfs/dbraw/zinc/42/52/99/442425299.db2.gz NTRSPTLTQXPMKE-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000156005139 442442484 /nfs/dbraw/zinc/44/24/84/442442484.db2.gz NMDCDXRJPJJFHK-ROUUACIJSA-N 2 0 338.540 1.641 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794525 442487179 /nfs/dbraw/zinc/48/71/79/442487179.db2.gz ZOKLOLDPWAXGMS-MSOLQXFVSA-N 2 0 337.508 1.855 20 0 EDADRP COc1ccc(CCC(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178966777 442540755 /nfs/dbraw/zinc/54/07/55/442540755.db2.gz MBEPXQBBOFFKKY-UHFFFAOYSA-N 2 0 345.487 1.772 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000179854543 442511960 /nfs/dbraw/zinc/51/19/60/442511960.db2.gz BREOGXJYGUKCHK-MDZRGWNJSA-N 2 0 347.503 1.874 20 0 EDADRP C[C@H](NC(=O)C[C@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178879984 442512750 /nfs/dbraw/zinc/51/27/50/442512750.db2.gz RFECUNGCLXYSPM-GOEBONIOSA-N 2 0 348.466 1.897 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000186571401 442564336 /nfs/dbraw/zinc/56/43/36/442564336.db2.gz FSXIMNHVBIBZFK-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP CN(C)CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000173187314 442619633 /nfs/dbraw/zinc/61/96/33/442619633.db2.gz GCHUAIZOUNGMAI-INIZCTEOSA-N 2 0 332.448 1.353 20 0 EDADRP CC[NH+](CC)CCN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000181365487 442692799 /nfs/dbraw/zinc/69/27/99/442692799.db2.gz UAJHLUWNLRQDQZ-GOSISDBHSA-N 2 0 326.529 1.055 20 0 EDADRP COC[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000187856087 442695132 /nfs/dbraw/zinc/69/51/32/442695132.db2.gz XLHSZMXWBGDTOJ-SFHVURJKSA-N 2 0 348.491 1.365 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1cccc(OC)c1 ZINC000187896022 442696901 /nfs/dbraw/zinc/69/69/01/442696901.db2.gz UMLIPMQCGLZUPW-KSZLIROESA-N 2 0 349.475 1.571 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(OCC[NH+](C)C)c(Cl)c2)C1 ZINC000187930299 442698047 /nfs/dbraw/zinc/69/80/47/442698047.db2.gz RAIFTENWROZCMK-GXTWGEPZSA-N 2 0 341.839 1.596 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000188200833 442724004 /nfs/dbraw/zinc/72/40/04/442724004.db2.gz RJWYKDOSXNFCEF-DOTOQJQBSA-N 2 0 331.460 1.755 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000193737673 442775879 /nfs/dbraw/zinc/77/58/79/442775879.db2.gz SDNZYRFLFMFTRP-UHFFFAOYSA-N 2 0 332.448 1.239 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CCN1Cc1ccccc1 ZINC000189324230 442921150 /nfs/dbraw/zinc/92/11/50/442921150.db2.gz VQTJFXABDZXVQO-GBESFXJTSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CCOCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000248748975 442923765 /nfs/dbraw/zinc/92/37/65/442923765.db2.gz GBDOCMFXDRYICI-FDPKGLCPSA-N 2 0 328.497 1.470 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000194017582 318587571 /nfs/dbraw/zinc/58/75/71/318587571.db2.gz UYPUEACZTYTHEJ-HNNXBMFYSA-N 2 0 346.475 1.852 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000249564457 442988802 /nfs/dbraw/zinc/98/88/02/442988802.db2.gz MRARGKAXMKYRPG-JTDSTZFVSA-N 2 0 345.487 1.912 20 0 EDADRP CCN1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000265867880 442951375 /nfs/dbraw/zinc/95/13/75/442951375.db2.gz YFKXUOMDPGHUDE-GOSISDBHSA-N 2 0 331.460 1.442 20 0 EDADRP Cn1cncc1CC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000251737565 443017815 /nfs/dbraw/zinc/01/78/15/443017815.db2.gz PVONONWJSDUDML-RDJZCZTQSA-N 2 0 334.370 1.802 20 0 EDADRP Cc1nnsc1C(=O)NCC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000190541458 443131515 /nfs/dbraw/zinc/13/15/15/443131515.db2.gz XSKRZFPIGNQJFB-UHFFFAOYSA-N 2 0 337.493 1.527 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000236663186 443143472 /nfs/dbraw/zinc/14/34/72/443143472.db2.gz INQADRXAPFPHLX-JJTUDDRGSA-N 2 0 325.497 1.706 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@](C)(O)C(C)C)CC2)C1 ZINC000185002609 443115823 /nfs/dbraw/zinc/11/58/23/443115823.db2.gz WTJKRBRKQJJDLE-MSOLQXFVSA-N 2 0 327.513 1.120 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000237508392 443174263 /nfs/dbraw/zinc/17/42/63/443174263.db2.gz BMQFVKLUUWUSAT-OWCLPIDISA-N 2 0 327.538 1.956 20 0 EDADRP CN(C[C@H]1CCC[NH2+]C1)[C@H](C(N)=O)c1cccc(Br)c1 ZINC000262038210 443181215 /nfs/dbraw/zinc/18/12/15/443181215.db2.gz XYHORGRSYXAHOC-FZMZJTMJSA-N 2 0 340.265 1.907 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000262163871 443184961 /nfs/dbraw/zinc/18/49/61/443184961.db2.gz YCHJYKAMDYOFJR-SJLPKXTDSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000185404816 443194425 /nfs/dbraw/zinc/19/44/25/443194425.db2.gz UPJPMHHBIDIALG-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000266780044 443238781 /nfs/dbraw/zinc/23/87/81/443238781.db2.gz SPQWCUGSTPNDTB-KRWDZBQOSA-N 2 0 331.460 1.224 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000262660738 443206589 /nfs/dbraw/zinc/20/65/89/443206589.db2.gz XQMNZRJQCWRYCA-IXDOHACOSA-N 2 0 325.497 1.485 20 0 EDADRP C[C@@H](CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262684192 443208416 /nfs/dbraw/zinc/20/84/16/443208416.db2.gz ZPDHDCAFHLTMNT-NXOAAHMSSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000359996950 319115487 /nfs/dbraw/zinc/11/54/87/319115487.db2.gz SNDFSFNKZAOFCS-BBRMVZONSA-N 2 0 334.439 1.825 20 0 EDADRP COC[C@]1(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000382743944 319125085 /nfs/dbraw/zinc/12/50/85/319125085.db2.gz QAKGDBDHYPFQDQ-QUCCMNQESA-N 2 0 345.487 1.593 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000382752248 319125112 /nfs/dbraw/zinc/12/51/12/319125112.db2.gz CSMHBHTXFIEARZ-KRWDZBQOSA-N 2 0 345.487 1.878 20 0 EDADRP C[NH2+]CCCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000269250869 443251005 /nfs/dbraw/zinc/25/10/05/443251005.db2.gz GUVJZKWXXPEGFC-UHFFFAOYSA-N 2 0 337.439 1.785 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2CCCNC2=O)CC1 ZINC000411461042 319183641 /nfs/dbraw/zinc/18/36/41/319183641.db2.gz VJORKPUNYLNWOY-YOEHRIQHSA-N 2 0 348.466 1.897 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000411555393 319184247 /nfs/dbraw/zinc/18/42/47/319184247.db2.gz GVMWAMSYDJVABL-SJORKVTESA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269261933 443255651 /nfs/dbraw/zinc/25/56/51/443255651.db2.gz MXGBCAFRAKQRQD-WMZOPIPTSA-N 2 0 331.460 1.488 20 0 EDADRP COC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000414189396 319318342 /nfs/dbraw/zinc/31/83/42/319318342.db2.gz JRHWHVHIMOSROE-SFHVURJKSA-N 2 0 339.524 1.578 20 0 EDADRP CCc1ncc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cn1 ZINC000414319145 319324095 /nfs/dbraw/zinc/32/40/95/319324095.db2.gz YRRQOGRDRHWCPR-UHFFFAOYSA-N 2 0 340.475 1.866 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000414670765 319338796 /nfs/dbraw/zinc/33/87/96/319338796.db2.gz MRXTZPJODAVDIC-OAHLLOKOSA-N 2 0 334.439 1.145 20 0 EDADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414670660 319338920 /nfs/dbraw/zinc/33/89/20/319338920.db2.gz DNTKHCJDISMUGE-MOPGFXCFSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414673029 319339438 /nfs/dbraw/zinc/33/94/38/319339438.db2.gz BKUDBAIYFDBVJA-IRXDYDNUSA-N 2 0 330.476 1.631 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000414680553 319341213 /nfs/dbraw/zinc/34/12/13/319341213.db2.gz YUEBDFGKALYUAJ-UHFFFAOYSA-N 2 0 348.491 1.970 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414686993 319342249 /nfs/dbraw/zinc/34/22/49/319342249.db2.gz GVJSSJRCLOFTHQ-HNNXBMFYSA-N 2 0 346.475 1.855 20 0 EDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000415085043 319346365 /nfs/dbraw/zinc/34/63/65/319346365.db2.gz QBKHJZWHHPAHKR-IKGGRYGDSA-N 2 0 331.460 1.787 20 0 EDADRP C[C@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415127714 319346841 /nfs/dbraw/zinc/34/68/41/319346841.db2.gz SGNJQERQGOTBBN-HKUYNNGSSA-N 2 0 344.503 1.390 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H](C)C[NH3+] ZINC000415223857 319354018 /nfs/dbraw/zinc/35/40/18/319354018.db2.gz AISIAICZGLJQBP-CQSZACIVSA-N 2 0 349.479 1.553 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415308268 319360727 /nfs/dbraw/zinc/36/07/27/319360727.db2.gz PALNUAWDUGDCMS-UHFFFAOYSA-N 2 0 332.448 1.337 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)CCCC[NH3+] ZINC000415741219 319369207 /nfs/dbraw/zinc/36/92/07/319369207.db2.gz KMWFGSMKAAIDHK-CQSZACIVSA-N 2 0 334.464 1.629 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416815061 319463403 /nfs/dbraw/zinc/46/34/03/319463403.db2.gz VYODVVPUYOHKEZ-ZIAGYGMSSA-N 2 0 326.391 1.586 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000416825237 319463897 /nfs/dbraw/zinc/46/38/97/319463897.db2.gz AOZWLGLZNVQEDZ-AEFFLSMTSA-N 2 0 334.439 1.823 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418586533 319506353 /nfs/dbraw/zinc/50/63/53/319506353.db2.gz FUGCRAIDDIMNTJ-INIZCTEOSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418807943 319514329 /nfs/dbraw/zinc/51/43/29/319514329.db2.gz ZRAMWNRXMRBOJI-RCCFBDPRSA-N 2 0 330.476 1.935 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418847817 319522162 /nfs/dbraw/zinc/52/21/62/319522162.db2.gz WITBAOMUTJIGNS-HIFRSBDPSA-N 2 0 338.496 1.094 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419015443 319541935 /nfs/dbraw/zinc/54/19/35/319541935.db2.gz KUFHECWQXUCSCA-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419023098 319543582 /nfs/dbraw/zinc/54/35/82/319543582.db2.gz VREMZKZDYHNEKF-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@@H]21)Cc1ccc(F)cc1 ZINC000272619906 443385554 /nfs/dbraw/zinc/38/55/54/443385554.db2.gz UJHYZTAFUOMSAL-WMZOPIPTSA-N 2 0 348.466 1.993 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[NH+](C)C ZINC000269665955 443386624 /nfs/dbraw/zinc/38/66/24/443386624.db2.gz JGVYGNKWKPWTNK-NVXWUHKLSA-N 2 0 333.480 1.747 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]1C[NH2+]C)CC(C)C ZINC000419125987 319558840 /nfs/dbraw/zinc/55/88/40/319558840.db2.gz LVFXSOZDCHHXGZ-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000269590724 443358485 /nfs/dbraw/zinc/35/84/85/443358485.db2.gz MRWRLIOIQSYFLL-SJLPKXTDSA-N 2 0 333.476 1.470 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+](C)Cc1ccccc1 ZINC000264759631 443411597 /nfs/dbraw/zinc/41/15/97/443411597.db2.gz SVHUXIQTEYKJJQ-INIZCTEOSA-N 2 0 336.480 1.384 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NCC[N@H+](C)C1CC1 ZINC000264777343 443419739 /nfs/dbraw/zinc/41/97/39/443419739.db2.gz BESAUAYUQDIYRV-UHFFFAOYSA-N 2 0 336.455 1.993 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278992339 443484129 /nfs/dbraw/zinc/48/41/29/443484129.db2.gz LEVFSOHPJSNQEM-CVEARBPZSA-N 2 0 341.459 1.389 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423262300 319760082 /nfs/dbraw/zinc/76/00/82/319760082.db2.gz VADIALGBXAJZJJ-ZIAGYGMSSA-N 2 0 325.478 1.635 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423308111 319762850 /nfs/dbraw/zinc/76/28/50/319762850.db2.gz IRLXKLHHVCJLPG-KRWDZBQOSA-N 2 0 333.480 1.659 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1cccs1 ZINC000423306851 319762855 /nfs/dbraw/zinc/76/28/55/319762855.db2.gz MFBXQOPJLWYWRA-GJZGRUSLSA-N 2 0 347.488 1.902 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]([NH3+])C3CCC3)ccc2oc1=O ZINC000423394311 319770635 /nfs/dbraw/zinc/77/06/35/319770635.db2.gz RDAAZEMCYZGHKJ-HNNXBMFYSA-N 2 0 332.404 1.222 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423422396 319774311 /nfs/dbraw/zinc/77/43/11/319774311.db2.gz CQHPVMGAMMFEIU-INIZCTEOSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000273025181 443522302 /nfs/dbraw/zinc/52/23/02/443522302.db2.gz CRYMJGRHIWASBN-JKSUJKDBSA-N 2 0 335.448 1.501 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000272255590 443570229 /nfs/dbraw/zinc/57/02/29/443570229.db2.gz ALMNCLUGOXQALT-UHFFFAOYSA-N 2 0 345.487 1.811 20 0 EDADRP CC[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[NH+](CC)CC ZINC000273141697 443549441 /nfs/dbraw/zinc/54/94/41/443549441.db2.gz UPVAOOZMVRPBRF-RTBURBONSA-N 2 0 347.503 1.990 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)c1cccc(F)c1 ZINC000279526554 443601166 /nfs/dbraw/zinc/60/11/66/443601166.db2.gz BQIXQGUFRUXOSM-KRWDZBQOSA-N 2 0 334.439 1.990 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000274390146 443604727 /nfs/dbraw/zinc/60/47/27/443604727.db2.gz PAXDNCZIYRJFQH-GJZGRUSLSA-N 2 0 345.443 1.108 20 0 EDADRP Cc1noc([C@@H]2CCCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)C2)n1 ZINC000433151809 319972150 /nfs/dbraw/zinc/97/21/50/319972150.db2.gz OVXIERXOAPLJNP-CQSZACIVSA-N 2 0 335.452 1.287 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccnc2-n2cccn2)CC1 ZINC000433150736 319972291 /nfs/dbraw/zinc/97/22/91/319972291.db2.gz XIYQMYRDNLXCFO-UHFFFAOYSA-N 2 0 328.420 1.409 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000434865730 320005121 /nfs/dbraw/zinc/00/51/21/320005121.db2.gz SUBISXNTZAZSAX-INIZCTEOSA-N 2 0 349.500 1.677 20 0 EDADRP Cc1nc2ccccc2nc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436068102 320018696 /nfs/dbraw/zinc/01/86/96/320018696.db2.gz VLITZWMMSOMJNF-OAHLLOKOSA-N 2 0 341.459 1.758 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCSC1 ZINC000440261608 320067000 /nfs/dbraw/zinc/06/70/00/320067000.db2.gz UIHIEJZICPFEQI-WBVHZDCISA-N 2 0 325.522 1.947 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440809127 320080935 /nfs/dbraw/zinc/08/09/35/320080935.db2.gz RUBCAHMIUPKOOT-UHFFFAOYSA-N 2 0 333.402 1.792 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000449366459 320184673 /nfs/dbraw/zinc/18/46/73/320184673.db2.gz WJDIGVNZEUTSKI-YFHUEUNASA-N 2 0 337.508 1.580 20 0 EDADRP O=C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449702138 320200270 /nfs/dbraw/zinc/20/02/70/320200270.db2.gz RSBCUZARCZNSLB-UWVAXJGDSA-N 2 0 327.472 1.766 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740216 320203171 /nfs/dbraw/zinc/20/31/71/320203171.db2.gz FAXMTFGAGPSMDJ-NUJGCVRESA-N 2 0 331.435 1.858 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000458607946 320338337 /nfs/dbraw/zinc/33/83/37/320338337.db2.gz XYWUQVVNTIXLID-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458698204 320338792 /nfs/dbraw/zinc/33/87/92/320338792.db2.gz AGUHSFAPHXNPMC-NVXWUHKLSA-N 2 0 338.496 1.149 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000459247393 320344960 /nfs/dbraw/zinc/34/49/60/320344960.db2.gz CRFGXJNJVOQLEZ-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)[C@@H]1SC ZINC000459381231 320347911 /nfs/dbraw/zinc/34/79/11/320347911.db2.gz USUKYTOZFPOZTB-BBWFWOEESA-N 2 0 329.554 1.903 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000286261426 443678811 /nfs/dbraw/zinc/67/88/11/443678811.db2.gz VOLBXHZSOFBBLG-ZDUSSCGKSA-N 2 0 329.391 1.219 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)NCC[N@H+]2CC=CCC2)ccc1F ZINC000280248652 443683180 /nfs/dbraw/zinc/68/31/80/443683180.db2.gz KNQFMHCOCSKSFQ-UHFFFAOYSA-N 2 0 334.439 1.948 20 0 EDADRP Cc1ccc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000298692830 443840818 /nfs/dbraw/zinc/84/08/18/443840818.db2.gz SJQDSUQVJUOQMO-UHFFFAOYSA-N 2 0 335.496 1.805 20 0 EDADRP Cc1ncc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000299141471 443965710 /nfs/dbraw/zinc/96/57/10/443965710.db2.gz BJHWDAKDHBKCAB-UHFFFAOYSA-N 2 0 341.525 1.867 20 0 EDADRP CC(C)C[C@H]1OCCC[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548189869 320866849 /nfs/dbraw/zinc/86/68/49/320866849.db2.gz JLWMEWLIUQDHIS-IAGOWNOFSA-N 2 0 342.528 1.715 20 0 EDADRP C[N@H+](CCn1cccn1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285597501 444041897 /nfs/dbraw/zinc/04/18/97/444041897.db2.gz YASWZABBPLGHKV-UHFFFAOYSA-N 2 0 327.476 1.633 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H](C)C(=O)NCC(=O)OC ZINC000560407519 321026774 /nfs/dbraw/zinc/02/67/74/321026774.db2.gz YFLAKHQQEFQCFO-ILXRZTDVSA-N 2 0 327.469 1.154 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000562365075 321053869 /nfs/dbraw/zinc/05/38/69/321053869.db2.gz HCSGEVPKPOXMSX-DLBZAZTESA-N 2 0 331.460 1.400 20 0 EDADRP COC[C@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000562810647 321077367 /nfs/dbraw/zinc/07/73/67/321077367.db2.gz XSNMJUZPDMCOLU-GOSISDBHSA-N 2 0 338.496 1.461 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)Cn1cccn1 ZINC000562993923 321086856 /nfs/dbraw/zinc/08/68/56/321086856.db2.gz RNOJSEUDTAVYLQ-SFHVURJKSA-N 2 0 344.459 1.508 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCC[C@H]1CO)C1CC1 ZINC000563139087 321098147 /nfs/dbraw/zinc/09/81/47/321098147.db2.gz VJCBLBSEDRTKLQ-VQTJNVASSA-N 2 0 347.503 1.188 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000563395798 321108343 /nfs/dbraw/zinc/10/83/43/321108343.db2.gz CEOCXWQCIITPHH-BEFAXECRSA-N 2 0 335.492 1.214 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000564189226 321123538 /nfs/dbraw/zinc/12/35/38/321123538.db2.gz XGEGKYQHMSATMB-ZWKOTPCHSA-N 2 0 347.507 1.258 20 0 EDADRP CC[C@H](COCC(F)(F)F)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564859476 321152283 /nfs/dbraw/zinc/15/22/83/321152283.db2.gz FQPCLBKHFMQXTG-RQJABVFESA-N 2 0 342.402 1.404 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C(F)(F)F ZINC000564973871 321162300 /nfs/dbraw/zinc/16/23/00/321162300.db2.gz AEIDDAOQIUPZBR-GJZGRUSLSA-N 2 0 332.366 1.656 20 0 EDADRP COc1ccccc1[C@H](N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564992704 321163513 /nfs/dbraw/zinc/16/35/13/321163513.db2.gz ISBFJOSYGNHNBY-JMLCCBQJSA-N 2 0 346.475 1.028 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000566106680 321215389 /nfs/dbraw/zinc/21/53/89/321215389.db2.gz WXODMHNLGXRFPI-MAUKXSAKSA-N 2 0 334.460 1.950 20 0 EDADRP Cn1ncc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)n1 ZINC000289288563 444097726 /nfs/dbraw/zinc/09/77/26/444097726.db2.gz ACFDSUVBIBLJIN-GOSISDBHSA-N 2 0 329.448 1.350 20 0 EDADRP CCc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]n1 ZINC000299609123 444094449 /nfs/dbraw/zinc/09/44/49/444094449.db2.gz XHHSJZNCWYRRNG-UHFFFAOYSA-N 2 0 342.447 1.309 20 0 EDADRP CCn1ccnc1CN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000567906870 321268344 /nfs/dbraw/zinc/26/83/44/321268344.db2.gz ASYTZCHGKWLVPD-GJZGRUSLSA-N 2 0 333.480 1.501 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2OC2CCCC2)CC1 ZINC000569318487 321324050 /nfs/dbraw/zinc/32/40/50/321324050.db2.gz XHSOLQYYGOJHSE-GOSISDBHSA-N 2 0 347.503 1.706 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000570716105 321355317 /nfs/dbraw/zinc/35/53/17/321355317.db2.gz ZLZZHIPNTVTMQJ-GOSISDBHSA-N 2 0 332.492 1.563 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570923764 321363049 /nfs/dbraw/zinc/36/30/49/321363049.db2.gz SMIWBEWOTRBFCR-LJQANCHMSA-N 2 0 344.503 1.481 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(-n2ccnn2)c1 ZINC000571668889 321395860 /nfs/dbraw/zinc/39/58/60/321395860.db2.gz YWWWLOHPQOOJOF-QGZVFWFLSA-N 2 0 342.491 1.946 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OC(F)F)c1 ZINC000572106424 321415206 /nfs/dbraw/zinc/41/52/06/321415206.db2.gz QMOLPTGAHXPSOS-UHFFFAOYSA-N 2 0 330.379 1.248 20 0 EDADRP c1cn(CC[NH+]2CCCC3(CCC[N@@H+](CCn4ccnc4)C3)C2)cn1 ZINC000289486002 444156461 /nfs/dbraw/zinc/15/64/61/444156461.db2.gz OPTHPZIAPYSJLQ-UHFFFAOYSA-N 2 0 342.491 1.958 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000285969298 444165580 /nfs/dbraw/zinc/16/55/80/444165580.db2.gz HDTMIUVGQZWLRP-CQSZACIVSA-N 2 0 341.402 1.234 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000289562577 444172826 /nfs/dbraw/zinc/17/28/26/444172826.db2.gz CTTRRBBYNZCILB-UGSOOPFHSA-N 2 0 349.500 1.785 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000575973511 321537210 /nfs/dbraw/zinc/53/72/10/321537210.db2.gz XKPNNSPDUMWJJZ-QAPCUYQASA-N 2 0 340.471 1.886 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000575981622 321538129 /nfs/dbraw/zinc/53/81/29/321538129.db2.gz VEJBJJRGCMUFFR-KRWDZBQOSA-N 2 0 339.455 1.181 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccccc3C)nn2)CC1 ZINC000289682402 444189888 /nfs/dbraw/zinc/18/98/88/444189888.db2.gz JOFLFINMDHQFCL-UHFFFAOYSA-N 2 0 342.491 1.693 20 0 EDADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000576390406 321562377 /nfs/dbraw/zinc/56/23/77/321562377.db2.gz ICOWMJDNWCDNMT-QZTJIDSGSA-N 2 0 349.519 1.775 20 0 EDADRP CC[N@H+](CC(=O)N[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680441 444272490 /nfs/dbraw/zinc/27/24/90/444272490.db2.gz MQGANNYXORTSPT-HKUYNNGSSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000303242565 444235455 /nfs/dbraw/zinc/23/54/55/444235455.db2.gz CEQZKSUDJDRNPC-HZPDHXFCSA-N 2 0 339.524 1.848 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000296603670 444242749 /nfs/dbraw/zinc/24/27/49/444242749.db2.gz YPDBRIUZKHJOFC-KRWDZBQOSA-N 2 0 325.416 1.438 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000290116022 444244400 /nfs/dbraw/zinc/24/44/00/444244400.db2.gz KUJODKIMLKEEDC-IBGZPJMESA-N 2 0 347.503 1.811 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)C1 ZINC000316213358 444309524 /nfs/dbraw/zinc/30/95/24/444309524.db2.gz SSFRMWYISUNJHB-OWCLPIDISA-N 2 0 329.510 1.122 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000297654465 444314489 /nfs/dbraw/zinc/31/44/89/444314489.db2.gz VVNDINCTRIYARX-RDJZCZTQSA-N 2 0 327.432 1.960 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309812171 444290204 /nfs/dbraw/zinc/29/02/04/444290204.db2.gz WTQGUEIYIDHYHU-NWANDNLSSA-N 2 0 325.403 1.996 20 0 EDADRP COC[C@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851132 444293140 /nfs/dbraw/zinc/29/31/40/444293140.db2.gz OLABSKSGTLRVBE-QUCCMNQESA-N 2 0 345.487 1.641 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000578080345 321719684 /nfs/dbraw/zinc/71/96/84/321719684.db2.gz UHASOMPPVGBHFK-HDEZJCGLSA-N 2 0 333.863 1.711 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000323859984 444347658 /nfs/dbraw/zinc/34/76/58/444347658.db2.gz QZZRVTGUVBFXNH-LDDOYCOJSA-N 2 0 325.497 1.611 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccs1 ZINC000339979042 444347803 /nfs/dbraw/zinc/34/78/03/444347803.db2.gz UDJSVRMPEAUBDX-QWHCGFSZSA-N 2 0 327.519 1.904 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337693460 444356562 /nfs/dbraw/zinc/35/65/62/444356562.db2.gz ONXZTVHTMNZUAA-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]CCCN1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC000324901857 444359694 /nfs/dbraw/zinc/35/96/94/444359694.db2.gz VLILSKJZHWFPOP-UHFFFAOYSA-N 2 0 348.472 1.280 20 0 EDADRP CC1CC[NH+](CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331031779 444366092 /nfs/dbraw/zinc/36/60/92/444366092.db2.gz ZTRJLPQMZBBKTP-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000326442130 444374558 /nfs/dbraw/zinc/37/45/58/444374558.db2.gz WUEZMBNOWAAMKK-QZTJIDSGSA-N 2 0 338.540 1.672 20 0 EDADRP CC[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000337812837 444419521 /nfs/dbraw/zinc/41/95/21/444419521.db2.gz MJPHEMOISLMTMY-RBUKOAKNSA-N 2 0 345.487 1.693 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000579098660 321882446 /nfs/dbraw/zinc/88/24/46/321882446.db2.gz DQLJFNOFINOQHH-INIZCTEOSA-N 2 0 332.448 1.194 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)[C@H]2CCC[C@H]21 ZINC000580341005 322039912 /nfs/dbraw/zinc/03/99/12/322039912.db2.gz JGJHSVKYNALCJA-QLFBSQMISA-N 2 0 334.464 1.313 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000580828743 322100324 /nfs/dbraw/zinc/10/03/24/322100324.db2.gz KBBMGSXBQNRKIS-KBAYOESNSA-N 2 0 333.476 1.328 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000581315848 322163208 /nfs/dbraw/zinc/16/32/08/322163208.db2.gz VOGAYTARZGGNAN-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP Cc1ncc(C[NH2+][C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)cn1 ZINC000338216462 444568119 /nfs/dbraw/zinc/56/81/19/444568119.db2.gz PHIUVDBAQVDEFD-GOSISDBHSA-N 2 0 341.459 1.164 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000333021012 444631156 /nfs/dbraw/zinc/63/11/56/444631156.db2.gz AAEJYNIEHDEDBJ-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)C1CC[NH+](C(C)C)CC1 ZINC000338254699 444590488 /nfs/dbraw/zinc/59/04/88/444590488.db2.gz NHJCISXPTIYBJY-INIZCTEOSA-N 2 0 341.496 1.495 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639967 444660736 /nfs/dbraw/zinc/66/07/36/444660736.db2.gz WVAPHUIFGCZXFS-PBHICJAKSA-N 2 0 337.489 1.656 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000333903726 444713668 /nfs/dbraw/zinc/71/36/68/444713668.db2.gz CBDUPRQAIGSTLF-YDZRNGNQSA-N 2 0 342.487 1.997 20 0 EDADRP Cc1nc2ccccc2n1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333927583 444720771 /nfs/dbraw/zinc/72/07/71/444720771.db2.gz WOBSELNVCIVJTD-GJZGRUSLSA-N 2 0 327.432 1.596 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000333927425 444720794 /nfs/dbraw/zinc/72/07/94/444720794.db2.gz WJAWTKKLXDUKGL-UYTYNIKBSA-N 2 0 334.508 1.938 20 0 EDADRP COCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC[NH2+]CC1 ZINC000333629903 444686662 /nfs/dbraw/zinc/68/66/62/444686662.db2.gz GKMPCWUIZHXCAD-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C2CCCC2)C1 ZINC000344061033 444757620 /nfs/dbraw/zinc/75/76/20/444757620.db2.gz IHSIPMHTLKGNDF-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000342702303 444823429 /nfs/dbraw/zinc/82/34/29/444823429.db2.gz JJJFOGINXNGIML-HZPDHXFCSA-N 2 0 333.432 1.220 20 0 EDADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000336877012 444822813 /nfs/dbraw/zinc/82/28/13/444822813.db2.gz LQVBEVLOWYPQEE-QGZVFWFLSA-N 2 0 333.476 1.859 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H]1CCCN(C(C)C)C1=O ZINC000344190911 444831668 /nfs/dbraw/zinc/83/16/68/444831668.db2.gz XSJXMQSJQMKXRG-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000344188536 444829286 /nfs/dbraw/zinc/82/92/86/444829286.db2.gz FZKXRUIKAZGIGN-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000344302102 444889303 /nfs/dbraw/zinc/88/93/03/444889303.db2.gz UNFCWPBNPMABQB-GDBMZVCRSA-N 2 0 347.463 1.405 20 0 EDADRP CS[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1N(C)C ZINC000337318963 445030713 /nfs/dbraw/zinc/03/07/13/445030713.db2.gz NJIMMOMJFQMAEF-IRXDYDNUSA-N 2 0 328.570 1.380 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000341882522 445050424 /nfs/dbraw/zinc/05/04/24/445050424.db2.gz CNEULVZZJODNLE-SJLPKXTDSA-N 2 0 333.476 1.244 20 0 EDADRP CCN1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000343079130 445046699 /nfs/dbraw/zinc/04/66/99/445046699.db2.gz OSVXNUXXLQMCJI-ICSRJNTNSA-N 2 0 330.520 1.734 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343150506 445099431 /nfs/dbraw/zinc/09/94/31/445099431.db2.gz KJPDTUIEIJHNLD-BBWFWOEESA-N 2 0 336.524 1.249 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000343176314 445117366 /nfs/dbraw/zinc/11/73/66/445117366.db2.gz ZXDVNLROUKYPBH-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000337650595 445187651 /nfs/dbraw/zinc/18/76/51/445187651.db2.gz KZKOUKLMVIEEPU-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP O=C(NCC[NH+]1CCC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000337662456 445191687 /nfs/dbraw/zinc/19/16/87/445191687.db2.gz RHVIGFJEHQRCCY-UHFFFAOYSA-N 2 0 338.496 1.274 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000339560584 445150550 /nfs/dbraw/zinc/15/05/50/445150550.db2.gz DJFIYHRYSXKSSQ-QGZVFWFLSA-N 2 0 340.512 1.326 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)CC1 ZINC000345693154 445196853 /nfs/dbraw/zinc/19/68/53/445196853.db2.gz OZGJUMJIRVDMSU-WBVHZDCISA-N 2 0 340.512 1.347 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@H]1C ZINC000347005150 445229240 /nfs/dbraw/zinc/22/92/40/445229240.db2.gz BFISKCKFIVGJHU-HCAJQNDMSA-N 2 0 340.464 1.389 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CC[C@@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000351706390 445283298 /nfs/dbraw/zinc/28/32/98/445283298.db2.gz IOZOGNWOVLMSOA-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C[C@@H]1C ZINC000351883073 445354494 /nfs/dbraw/zinc/35/44/94/445354494.db2.gz MZEVPURHXFTGDG-YVSFHVDLSA-N 2 0 340.512 1.346 20 0 EDADRP Cc1csc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)n12 ZINC000357079075 445412866 /nfs/dbraw/zinc/41/28/66/445412866.db2.gz LCLSTBOHWJJZRS-AWEZNQCLSA-N 2 0 332.473 1.886 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](CC2=CCCOC2)CC1 ZINC000348903973 445435686 /nfs/dbraw/zinc/43/56/86/445435686.db2.gz IXPHTNJTCBSSSP-UHFFFAOYSA-N 2 0 335.492 1.647 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000357145966 445453987 /nfs/dbraw/zinc/45/39/87/445453987.db2.gz VOLPCFCUAMSINM-IBGZPJMESA-N 2 0 346.519 1.303 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000355406570 445458429 /nfs/dbraw/zinc/45/84/29/445458429.db2.gz DQUJVXXFFKZSFQ-KZNAEPCWSA-N 2 0 336.524 1.488 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000352052212 445460424 /nfs/dbraw/zinc/46/04/24/445460424.db2.gz IZCZMSFGLCWIAI-IAGOWNOFSA-N 2 0 326.529 1.543 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C[C@H]1[NH+](C)C ZINC000362631378 445471095 /nfs/dbraw/zinc/47/10/95/445471095.db2.gz OYBIMYNWEWAAHT-BFYDXBDKSA-N 2 0 338.496 1.079 20 0 EDADRP COc1ccc(CCC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000362709298 445511511 /nfs/dbraw/zinc/51/15/11/445511511.db2.gz DNERBWYQFBYDHP-QGZVFWFLSA-N 2 0 345.487 1.913 20 0 EDADRP c1cc2c(cc1CC[N@@H+]1CC[C@@H](CN3CCOCC3)C1)OCCO2 ZINC000360019446 445530939 /nfs/dbraw/zinc/53/09/39/445530939.db2.gz YOYSAYPGAHRPCI-QGZVFWFLSA-N 2 0 332.444 1.654 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000349055864 445489555 /nfs/dbraw/zinc/48/95/55/445489555.db2.gz PIFOPBZAGRUTED-CQSZACIVSA-N 2 0 337.489 1.455 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352798013 445555519 /nfs/dbraw/zinc/55/55/19/445555519.db2.gz WYBGBTZZBKSXRV-QAPCUYQASA-N 2 0 334.508 1.288 20 0 EDADRP CSC1(CNC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357856898 445586931 /nfs/dbraw/zinc/58/69/31/445586931.db2.gz CFAJMZWGNLMWPR-KGLIPLIRSA-N 2 0 340.537 1.738 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000360037554 445539685 /nfs/dbraw/zinc/53/96/85/445539685.db2.gz DHRLVKGVWYEBMQ-ICSRJNTNSA-N 2 0 349.519 1.834 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](CCOC(C)C)CC1)C(C)C ZINC000356109963 445626524 /nfs/dbraw/zinc/62/65/24/445626524.db2.gz AJKKXRDVADLQFJ-UHFFFAOYSA-N 2 0 342.528 1.905 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000358514782 445626877 /nfs/dbraw/zinc/62/68/77/445626877.db2.gz AIBNWVANGNIHRE-NXHRZFHOSA-N 2 0 330.476 1.710 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccccc1-n1ccnn1 ZINC000353499791 445630556 /nfs/dbraw/zinc/63/05/56/445630556.db2.gz DAYSJQCXSKBFTB-HNNXBMFYSA-N 2 0 329.448 1.622 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC[C@@H](C)C1 ZINC000363010401 445648674 /nfs/dbraw/zinc/64/86/74/445648674.db2.gz LVZXQGDNWUHZQI-QBPKDAKJSA-N 2 0 338.496 1.269 20 0 EDADRP C[N@H+](CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020234 445651569 /nfs/dbraw/zinc/65/15/69/445651569.db2.gz FOVFFVGJHOOJRO-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000349778539 445674854 /nfs/dbraw/zinc/67/48/54/445674854.db2.gz RZRAMTJVVZQVHG-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP O=C(C[NH2+]Cc1cccc2c[nH]nc21)NCC[NH+]1CCCCCC1 ZINC000353667640 445699474 /nfs/dbraw/zinc/69/94/74/445699474.db2.gz CSRCKXFRAHMHCL-UHFFFAOYSA-N 2 0 329.448 1.645 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH+](C)C[C@H]32)C1 ZINC000353699893 445714869 /nfs/dbraw/zinc/71/48/69/445714869.db2.gz GQMUJIMWMNOXNT-GVDBMIGSSA-N 2 0 338.496 1.079 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000356187927 445668329 /nfs/dbraw/zinc/66/83/29/445668329.db2.gz TXSVIVFBLIWOJB-MRXNPFEDSA-N 2 0 328.501 1.328 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000349758485 445668785 /nfs/dbraw/zinc/66/87/85/445668785.db2.gz OCQCCRLOEHRJDW-BFYDXBDKSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C[C@H](C)O1 ZINC000349758486 445669025 /nfs/dbraw/zinc/66/90/25/445669025.db2.gz OCQCCRLOEHRJDW-HLLBOEOZSA-N 2 0 338.496 1.364 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000356198576 445671112 /nfs/dbraw/zinc/67/11/12/445671112.db2.gz DGTFXVLZIDRFIE-HNNXBMFYSA-N 2 0 326.529 1.543 20 0 EDADRP CSC1(CNC(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC[NH+](C)CC1 ZINC000360692694 445722704 /nfs/dbraw/zinc/72/27/04/445722704.db2.gz JKVPPHJFOAOKPY-HUUCEWRRSA-N 2 0 340.537 1.692 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000349929661 445723808 /nfs/dbraw/zinc/72/38/08/445723808.db2.gz CKJCAXYRJSWUMJ-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)[NH+](C)C ZINC000363224183 445730072 /nfs/dbraw/zinc/73/00/72/445730072.db2.gz RNVRAGBOGCGQHA-KBAYOESNSA-N 2 0 332.492 1.994 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353967846 445833534 /nfs/dbraw/zinc/83/35/34/445833534.db2.gz TXWHXAKCGFUWRL-UHFFFAOYSA-N 2 0 349.479 1.654 20 0 EDADRP CC(C)[C@@H](C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000363391734 445784655 /nfs/dbraw/zinc/78/46/55/445784655.db2.gz YFDLCYWZZHDXHD-OALUTQOASA-N 2 0 346.519 1.678 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000350261277 445803141 /nfs/dbraw/zinc/80/31/41/445803141.db2.gz XDVRIQZDTIAVIS-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358846556 445806926 /nfs/dbraw/zinc/80/69/26/445806926.db2.gz KTOGAEATZCUESB-DOTOQJQBSA-N 2 0 325.497 1.412 20 0 EDADRP COCC1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC[NH2+]CC1 ZINC000358859942 445815527 /nfs/dbraw/zinc/81/55/27/445815527.db2.gz DDKISAVKJHVCNM-UHFFFAOYSA-N 2 0 341.496 1.008 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCCC[C@H]2c2ncc[nH]2)CC1 ZINC000354054699 445877492 /nfs/dbraw/zinc/87/74/92/445877492.db2.gz UULCXIVIWFJRAI-HNNXBMFYSA-N 2 0 345.447 1.232 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000358916675 445846380 /nfs/dbraw/zinc/84/63/80/445846380.db2.gz SSKHXVIJJIPPPQ-UHFFFAOYSA-N 3 0 332.492 1.567 20 0 EDADRP COCC1(C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CC[NH2+]CC1 ZINC000369099691 445929958 /nfs/dbraw/zinc/92/99/58/445929958.db2.gz JARFVBCWZHAMAI-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350894231 445940741 /nfs/dbraw/zinc/94/07/41/445940741.db2.gz CGSUAYGNXNNHGE-UHFFFAOYSA-N 2 0 342.528 1.953 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(Cl)c1F ZINC000582212096 325798364 /nfs/dbraw/zinc/79/83/64/325798364.db2.gz SPAAMFFMJNPJLI-UHFFFAOYSA-N 2 0 329.847 1.973 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]2(CCOC)CC[NH2+]C2)[NH+](C)C)cc1 ZINC000361723171 445899096 /nfs/dbraw/zinc/89/90/96/445899096.db2.gz LTQLDMNNAASYQA-ICSRJNTNSA-N 2 0 347.503 1.984 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372901828 445910943 /nfs/dbraw/zinc/91/09/43/445910943.db2.gz JNIRSPXEZUREMJ-CJNGLKHVSA-N 2 0 343.406 1.070 20 0 EDADRP CCc1ccccc1CN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000372903312 445913148 /nfs/dbraw/zinc/91/31/48/445913148.db2.gz YMFOIRRAIJHSMR-GOSISDBHSA-N 2 0 336.501 1.990 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000361804263 445958642 /nfs/dbraw/zinc/95/86/42/445958642.db2.gz PMJTVYJVYCGNHJ-GVDBMIGSSA-N 3 0 337.512 1.086 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000350980367 445964186 /nfs/dbraw/zinc/96/41/86/445964186.db2.gz HQPQPQMNKFWXDA-OAGGEKHMSA-N 2 0 340.512 1.070 20 0 EDADRP c1nc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(N2CCSCC2)n1 ZINC000372969616 445950496 /nfs/dbraw/zinc/95/04/96/445950496.db2.gz NYDBLMOXZRWFSM-ARFHVFGLSA-N 2 0 345.516 1.950 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000361793032 445951099 /nfs/dbraw/zinc/95/10/99/445951099.db2.gz TYLGHYYIPJWFJX-YCPHGPKFSA-N 2 0 331.526 1.507 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000582968262 325970648 /nfs/dbraw/zinc/97/06/48/325970648.db2.gz PPODITHPVPPKKH-HDICACEKSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CN(C2CC2)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366082227 446001766 /nfs/dbraw/zinc/00/17/66/446001766.db2.gz CJQWXIPZUNODSY-HLLBOEOZSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1c(C(=O)Nc2cc(C[NH+](C)C)ccn2)nnn1C1CC[NH2+]CC1 ZINC000583022823 325982544 /nfs/dbraw/zinc/98/25/44/325982544.db2.gz DVVKDDIQOHBMQI-UHFFFAOYSA-N 2 0 343.435 1.220 20 0 EDADRP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000359221800 446052526 /nfs/dbraw/zinc/05/25/26/446052526.db2.gz YDTMRRIGEBVSAN-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@@H](C)[NH3+] ZINC000583378790 326061727 /nfs/dbraw/zinc/06/17/27/326061727.db2.gz MPZZISVTWMNFDY-GDBMZVCRSA-N 2 0 333.480 1.069 20 0 EDADRP COc1cc(CN2CC[C@H](NC(=O)C3([NH3+])CCC3)C2)cc(OC)c1 ZINC000583691837 326119989 /nfs/dbraw/zinc/11/99/89/326119989.db2.gz RAUNHXQWEKLSES-AWEZNQCLSA-N 2 0 333.432 1.276 20 0 EDADRP C[N@H+](C[C@H](O)CNCCN1CCc2c(Cl)cccc2C1)C1CC1 ZINC000583867832 326155931 /nfs/dbraw/zinc/15/59/31/326155931.db2.gz NXOKLGRRVBUWSD-MRXNPFEDSA-N 2 0 337.895 1.743 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000584162509 326211651 /nfs/dbraw/zinc/21/16/51/326211651.db2.gz WHGQFKWIWIYSNY-FUHWJXTLSA-N 2 0 338.496 1.415 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000584229375 326224353 /nfs/dbraw/zinc/22/43/53/326224353.db2.gz UHIDNRFLZGTYQR-QYZOEREBSA-N 2 0 344.503 1.479 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccccc1 ZINC000584292256 326237133 /nfs/dbraw/zinc/23/71/33/326237133.db2.gz ZPCVBRXGFNWRTP-HLLBOEOZSA-N 2 0 348.491 1.428 20 0 EDADRP CCOC(=O)C1(C)CCC([NH2+]CC2CC[NH+](CCO)CC2)CC1 ZINC000354353459 446136880 /nfs/dbraw/zinc/13/68/80/446136880.db2.gz UQROYQOTRYBWBW-UHFFFAOYSA-N 2 0 326.481 1.792 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359266890 446104046 /nfs/dbraw/zinc/10/40/46/446104046.db2.gz UXOOJHDZNRLEAF-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)C2)CC1 ZINC000369368491 446109050 /nfs/dbraw/zinc/10/90/50/446109050.db2.gz CYMPZCWIEBAGLR-AEFFLSMTSA-N 2 0 349.523 1.035 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000356960060 446159983 /nfs/dbraw/zinc/15/99/83/446159983.db2.gz USSOEZYHINFSGM-IAGOWNOFSA-N 2 0 342.528 1.717 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365356636 446165813 /nfs/dbraw/zinc/16/58/13/446165813.db2.gz LRPKNWYUEPTCIC-UHOSZYNNSA-N 2 0 346.519 1.987 20 0 EDADRP C[C@H](CC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000366345091 446166226 /nfs/dbraw/zinc/16/62/26/446166226.db2.gz HPAULEHSGZLUKA-KBAYOESNSA-N 2 0 337.508 1.629 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)[C@@H](C)C2)s1 ZINC000366322925 446150246 /nfs/dbraw/zinc/15/02/46/446150246.db2.gz KTNFIYVLKLUMLU-BLLLJJGKSA-N 2 0 336.505 1.778 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH2+]CC3)[C@H](C)C2)s1 ZINC000366322927 446150799 /nfs/dbraw/zinc/15/07/99/446150799.db2.gz KTNFIYVLKLUMLU-MLGOLLRUSA-N 2 0 336.505 1.778 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)C[C@@H]3CCC[NH2+]3)CC2)CC1 ZINC000366323904 446150968 /nfs/dbraw/zinc/15/09/68/446150968.db2.gz MTLXFTZRGXRXNU-KRWDZBQOSA-N 2 0 336.524 1.441 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280294 446211209 /nfs/dbraw/zinc/21/12/09/446211209.db2.gz FMRLYJSKMTTYEQ-BZUAXINKSA-N 2 0 349.523 1.079 20 0 EDADRP C[C@@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000366479346 446231015 /nfs/dbraw/zinc/23/10/15/446231015.db2.gz PYKAGTOUGAUILD-OAHLLOKOSA-N 2 0 329.510 1.361 20 0 EDADRP CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@H](C)c3ccccc3)CC2)C1 ZINC000362191190 446253585 /nfs/dbraw/zinc/25/35/85/446253585.db2.gz UFBISEWCZKBRMR-SJLPKXTDSA-N 2 0 331.460 1.613 20 0 EDADRP CCC[C@H](C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000362277520 446300067 /nfs/dbraw/zinc/30/00/67/446300067.db2.gz DFKLVUZRHIHORX-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1SC ZINC000362322208 446319255 /nfs/dbraw/zinc/31/92/55/446319255.db2.gz MCVNYWNBOZEBAD-XQLPTFJDSA-N 2 0 329.510 1.072 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417337851 446347482 /nfs/dbraw/zinc/34/74/82/446347482.db2.gz JKLWTLAHJKKTQA-ATZDWAIDSA-N 2 0 342.487 1.684 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000417366461 446349773 /nfs/dbraw/zinc/34/97/73/446349773.db2.gz ORQUWTBRRRVOKP-INIZCTEOSA-N 2 0 348.491 1.816 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000417369394 446350084 /nfs/dbraw/zinc/35/00/84/446350084.db2.gz SBXNBBPXULCKLA-DOTOQJQBSA-N 2 0 348.491 1.753 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417482983 446353542 /nfs/dbraw/zinc/35/35/42/446353542.db2.gz QQDBHDPLDOINRV-WMLDXEAASA-N 2 0 334.464 1.648 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)cn2)CC1 ZINC000365816813 446354257 /nfs/dbraw/zinc/35/42/57/446354257.db2.gz NCIHKOBPPYNSLC-NVXWUHKLSA-N 2 0 343.475 1.646 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)n1 ZINC000374170070 446355313 /nfs/dbraw/zinc/35/53/13/446355313.db2.gz AHRSYGBGAJUOAF-MRXNPFEDSA-N 2 0 345.491 1.723 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516592 446360567 /nfs/dbraw/zinc/36/05/67/446360567.db2.gz OBUFLGHXYJEEJI-QZTJIDSGSA-N 2 0 348.491 1.747 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417532392 446362905 /nfs/dbraw/zinc/36/29/05/446362905.db2.gz VVAJHZZVGFMJHO-QAPCUYQASA-N 2 0 348.491 1.609 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000417545789 446363720 /nfs/dbraw/zinc/36/37/20/446363720.db2.gz KOUUBWUWIYSGCY-KBPBESRZSA-N 2 0 326.485 1.268 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000417671694 446368942 /nfs/dbraw/zinc/36/89/42/446368942.db2.gz QUTNLHQLTRDALE-ULQDDVLXSA-N 2 0 340.512 1.646 20 0 EDADRP Cc1cc(N2CCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000365859704 446375269 /nfs/dbraw/zinc/37/52/69/446375269.db2.gz XXHHSOISOQHRJL-QGZVFWFLSA-N 2 0 345.491 1.910 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000417905444 446382930 /nfs/dbraw/zinc/38/29/30/446382930.db2.gz CIESLMDPXRYQCU-BRWVUGGUSA-N 2 0 340.512 1.379 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000417932071 446390430 /nfs/dbraw/zinc/39/04/30/446390430.db2.gz MAKIYCSQOWYXDD-HUUCEWRRSA-N 2 0 333.480 1.762 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873422 446391560 /nfs/dbraw/zinc/39/15/60/446391560.db2.gz ZDDFZDZNYGZFCR-FGTMMUONSA-N 2 0 337.508 1.724 20 0 EDADRP CC1CCC(O)(C[NH+]2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000374798958 446398505 /nfs/dbraw/zinc/39/85/05/446398505.db2.gz INVRBSIQBMMQDV-UHFFFAOYSA-N 2 0 326.481 1.087 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418099475 446440695 /nfs/dbraw/zinc/44/06/95/446440695.db2.gz NNUVMIXIXSFWDI-QGZVFWFLSA-N 2 0 347.507 1.981 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000418161370 446443262 /nfs/dbraw/zinc/44/32/62/446443262.db2.gz FADXVFWTIXTXGC-ZJIFWQFVSA-N 2 0 334.464 1.960 20 0 EDADRP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184771 446448143 /nfs/dbraw/zinc/44/81/43/446448143.db2.gz NJEARGZDQJJLAZ-DOTOQJQBSA-N 2 0 338.473 1.657 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417967012 446402470 /nfs/dbraw/zinc/40/24/70/446402470.db2.gz JYLKBMDPUCFZAX-QGZVFWFLSA-N 2 0 331.464 1.691 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000417974964 446405176 /nfs/dbraw/zinc/40/51/76/446405176.db2.gz DXHSXHVEWFDJCW-WBVHZDCISA-N 2 0 334.464 1.266 20 0 EDADRP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990236 446409059 /nfs/dbraw/zinc/40/90/59/446409059.db2.gz KDDFBYUIYCIVJM-OBJOEFQTSA-N 2 0 332.439 1.921 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017810 446417102 /nfs/dbraw/zinc/41/71/02/446417102.db2.gz UDTSIONBESNKNB-BGTYHANMSA-N 2 0 328.460 1.510 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000418048392 446424157 /nfs/dbraw/zinc/42/41/57/446424157.db2.gz LAVUVZWTUDIJMZ-CQSZACIVSA-N 2 0 336.867 1.701 20 0 EDADRP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423227297 446458678 /nfs/dbraw/zinc/45/86/78/446458678.db2.gz VFERKRIXOVVIAU-KBPBESRZSA-N 2 0 341.477 1.095 20 0 EDADRP CCn1ccnc1C[N@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420303319 446465550 /nfs/dbraw/zinc/46/55/50/446465550.db2.gz CUEOIMKEEITJLG-SJORKVTESA-N 3 0 331.508 1.847 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000367019172 446465937 /nfs/dbraw/zinc/46/59/37/446465937.db2.gz GTIZOYZEVZUHBN-DOTOQJQBSA-N 2 0 327.538 1.908 20 0 EDADRP CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)NCC1([NH3+])CCC1 ZINC000420309221 446471756 /nfs/dbraw/zinc/47/17/56/446471756.db2.gz ONZMCKHQQMBNNF-CQSZACIVSA-N 2 0 346.475 1.505 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000432488153 446474140 /nfs/dbraw/zinc/47/41/40/446474140.db2.gz CVKHGCLTYYLKFX-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000420311262 446475370 /nfs/dbraw/zinc/47/53/70/446475370.db2.gz QSPGSFLPNVGLCC-MRXNPFEDSA-N 2 0 339.480 1.252 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)CC1 ZINC000376406210 446479122 /nfs/dbraw/zinc/47/91/22/446479122.db2.gz CWDWKMDYFXUBSG-AABGKKOBSA-N 3 0 334.552 1.819 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)CN2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000420317584 446483783 /nfs/dbraw/zinc/48/37/83/446483783.db2.gz ZMRRRZWGYRZSKB-CWRNSKLLSA-N 2 0 331.416 1.471 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000420317189 446481990 /nfs/dbraw/zinc/48/19/90/446481990.db2.gz MPGFPCCJEQPVHL-QZTJIDSGSA-N 2 0 333.476 1.534 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418287468 446485191 /nfs/dbraw/zinc/48/51/91/446485191.db2.gz KGIAJJBDYRFEHV-QAPCUYQASA-N 2 0 348.466 1.960 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423328135 446489328 /nfs/dbraw/zinc/48/93/28/446489328.db2.gz SCQZAOQCJXDDIT-CABCVRRESA-N 2 0 333.480 1.443 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423365104 446503133 /nfs/dbraw/zinc/50/31/33/446503133.db2.gz PENNSZNJUFGUNI-INMHGKMJSA-N 2 0 333.480 1.658 20 0 EDADRP CN(C(=O)NC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418336940 446506016 /nfs/dbraw/zinc/50/60/16/446506016.db2.gz INKUUVWRTLLVOD-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337024 446507952 /nfs/dbraw/zinc/50/79/52/446507952.db2.gz WGVZKWPIHWYKKH-IRXDYDNUSA-N 3 0 333.476 1.425 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C[C@@H]1C ZINC000423384389 446512275 /nfs/dbraw/zinc/51/22/75/446512275.db2.gz QADDUPDUYVCBOE-JYJNAYRXSA-N 2 0 340.512 1.149 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418360939 446513184 /nfs/dbraw/zinc/51/31/84/446513184.db2.gz KPSMIRDWNNOQQX-WBVHZDCISA-N 2 0 339.528 1.219 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCc1ccc(F)cc1 ZINC000420343309 446514907 /nfs/dbraw/zinc/51/49/07/446514907.db2.gz QMYZIMWNXCQOQS-IAGOWNOFSA-N 2 0 333.451 1.806 20 0 EDADRP CCCCOC[C@@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000432731729 446496735 /nfs/dbraw/zinc/49/67/35/446496735.db2.gz ZOONIFGZRUKUNI-IBGZPJMESA-N 2 0 341.540 1.654 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000418325202 446498737 /nfs/dbraw/zinc/49/87/37/446498737.db2.gz WRPRPYAZUJIYRG-AWEZNQCLSA-N 2 0 326.485 1.135 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000433348643 446559353 /nfs/dbraw/zinc/55/93/53/446559353.db2.gz WLLBWNSHDCQSBF-INIZCTEOSA-N 2 0 329.448 2.076 20 0 EDADRP O=C(NCC1C[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418480960 446560100 /nfs/dbraw/zinc/56/01/00/446560100.db2.gz CCAWHOZSRPLGBA-ZWKOTPCHSA-N 2 0 328.460 1.369 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423527849 446562429 /nfs/dbraw/zinc/56/24/29/446562429.db2.gz WCNLRDBMDRIXMA-XRXFAXGQSA-N 3 0 342.531 1.780 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389856 446565736 /nfs/dbraw/zinc/56/57/36/446565736.db2.gz YYZFZNKXFXIRRV-SFHVURJKSA-N 2 0 329.448 1.981 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000418501706 446568630 /nfs/dbraw/zinc/56/86/30/446568630.db2.gz RXGDGPHSKCBODY-QGZVFWFLSA-N 2 0 348.491 1.528 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418496750 446566471 /nfs/dbraw/zinc/56/64/71/446566471.db2.gz GBLAARUFBLFLGP-OTWHNJEPSA-N 2 0 342.487 1.902 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000418372193 446517807 /nfs/dbraw/zinc/51/78/07/446517807.db2.gz QPPGITXTZVUVRM-XIRDDKMYSA-N 2 0 332.448 1.192 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423405964 446519324 /nfs/dbraw/zinc/51/93/24/446519324.db2.gz ZTPWRWKUMJTYLV-JJXSEGSLSA-N 2 0 348.457 1.723 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418379751 446521741 /nfs/dbraw/zinc/52/17/41/446521741.db2.gz WGXYWMBMONNJMA-FHWLQOOXSA-N 2 0 342.487 1.902 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418382524 446522628 /nfs/dbraw/zinc/52/26/28/446522628.db2.gz IECRSJYTAFYCRX-RCCFBDPRSA-N 2 0 348.491 1.152 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000423415954 446523941 /nfs/dbraw/zinc/52/39/41/446523941.db2.gz PRGHJRFWEAETHQ-HZPDHXFCSA-N 2 0 340.512 1.153 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC2CCC([NH3+])CC2)CC1 ZINC000418391435 446525963 /nfs/dbraw/zinc/52/59/63/446525963.db2.gz UZIWFUDNFVWANL-UHFFFAOYSA-N 2 0 340.512 1.789 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423422625 446528732 /nfs/dbraw/zinc/52/87/32/446528732.db2.gz BRVPJDSOODHMNL-CABCVRRESA-N 2 0 336.484 1.257 20 0 EDADRP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350114 446528720 /nfs/dbraw/zinc/52/87/20/446528720.db2.gz RJLDOHQYKVINSV-APWZRJJASA-N 2 0 344.503 1.406 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@]2(COC)CCC[NH2+]2)[C@H](C)C1 ZINC000423426117 446531252 /nfs/dbraw/zinc/53/12/52/446531252.db2.gz MRZVLVJJVYAVAH-FGTMMUONSA-N 2 0 327.513 1.482 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000433137835 446535109 /nfs/dbraw/zinc/53/51/09/446535109.db2.gz VDCFQWMCIXMIDJ-DOTOQJQBSA-N 2 0 346.475 1.553 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000433137838 446536100 /nfs/dbraw/zinc/53/61/00/446536100.db2.gz VDCFQWMCIXMIDJ-WBVHZDCISA-N 2 0 346.475 1.553 20 0 EDADRP COC(=O)CCc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433155926 446539205 /nfs/dbraw/zinc/53/92/05/446539205.db2.gz GQBXIJHORCOYTG-UHFFFAOYSA-N 2 0 347.459 1.934 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000418451652 446547885 /nfs/dbraw/zinc/54/78/85/446547885.db2.gz WIYBRJPMCNTCTJ-RYQLBKOJSA-N 2 0 348.491 1.813 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000418452849 446549534 /nfs/dbraw/zinc/54/95/34/446549534.db2.gz YIZGLXBRMWLWTM-IAGOWNOFSA-N 2 0 339.528 1.315 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000418460593 446552603 /nfs/dbraw/zinc/55/26/03/446552603.db2.gz HVUSLICVRNEMNG-CQSZACIVSA-N 2 0 335.452 1.439 20 0 EDADRP CCCCOCCNC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420378584 446554944 /nfs/dbraw/zinc/55/49/44/446554944.db2.gz MFKSBGSXRYPHLE-AEFFLSMTSA-N 2 0 341.496 1.138 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418609071 446614253 /nfs/dbraw/zinc/61/42/53/446614253.db2.gz SGCBYIOKWDTQBA-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418613307 446616438 /nfs/dbraw/zinc/61/64/38/446616438.db2.gz JIOYOJBUQRZOPF-MRXNPFEDSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000420403973 446576692 /nfs/dbraw/zinc/57/66/92/446576692.db2.gz LVNDHCMRXXHKOB-OLZOCXBDSA-N 2 0 339.867 1.691 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)CC2([NH+](C)C)CCC2)CCCO1 ZINC000433464614 446577870 /nfs/dbraw/zinc/57/78/70/446577870.db2.gz DBTZGRNJSOOFKE-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418529283 446580935 /nfs/dbraw/zinc/58/09/35/446580935.db2.gz SZKOMIGUQIYCJT-UYAOXDASSA-N 2 0 342.487 1.904 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H]1CC ZINC000418558360 446593861 /nfs/dbraw/zinc/59/38/61/446593861.db2.gz XKFDLXCASPRDIG-SJLPKXTDSA-N 2 0 340.512 1.518 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418564755 446596846 /nfs/dbraw/zinc/59/68/46/446596846.db2.gz USBRGKJNDRGILG-IRXDYDNUSA-N 2 0 348.491 1.767 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418567722 446597838 /nfs/dbraw/zinc/59/78/38/446597838.db2.gz BBXKOBNJMUWQQE-GOSISDBHSA-N 2 0 346.475 1.542 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000418657308 446637624 /nfs/dbraw/zinc/63/76/24/446637624.db2.gz ULGBARBSRHSYHR-KBAYOESNSA-N 2 0 330.476 1.984 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662636 446638891 /nfs/dbraw/zinc/63/88/91/446638891.db2.gz DREABFDMSJNMBQ-BRWVUGGUSA-N 2 0 339.528 1.077 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000418666732 446641849 /nfs/dbraw/zinc/64/18/49/446641849.db2.gz GMQLJIVOOHBKTF-QZTJIDSGSA-N 2 0 348.491 1.613 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418675236 446644571 /nfs/dbraw/zinc/64/45/71/446644571.db2.gz RCVVTIOIMYOIEE-XQZMSQOBSA-N 2 0 328.460 1.509 20 0 EDADRP CN1CCN([C@H]2CCCC[N@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000368107221 446645019 /nfs/dbraw/zinc/64/50/19/446645019.db2.gz DMEISIOJWSQALZ-INIZCTEOSA-N 2 0 328.464 1.511 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000368113866 446649045 /nfs/dbraw/zinc/64/90/45/446649045.db2.gz UOLTXCRSOIXOIA-HIFRSBDPSA-N 2 0 328.420 1.503 20 0 EDADRP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000368136261 446662671 /nfs/dbraw/zinc/66/26/71/446662671.db2.gz UHORZKWRTHJMKB-HNNXBMFYSA-N 2 0 334.464 1.761 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000418652809 446634993 /nfs/dbraw/zinc/63/49/93/446634993.db2.gz NJHXMYDPWMDHSL-GOSISDBHSA-N 2 0 348.491 1.347 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@]12CCOC2)N1CCN(c2ccccn2)CC1 ZINC000375276134 446688501 /nfs/dbraw/zinc/68/85/01/446688501.db2.gz FQXOGDWDEDLTIJ-LJQANCHMSA-N 2 0 344.459 1.375 20 0 EDADRP CC[N@H+](CCC(=O)NC(=O)NCc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627354 446704961 /nfs/dbraw/zinc/70/49/61/446704961.db2.gz QWGNLNMPNDOHNT-KRWDZBQOSA-N 2 0 346.475 1.867 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418790668 446705216 /nfs/dbraw/zinc/70/52/16/446705216.db2.gz NBCIJUARXNEBPX-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418795117 446706376 /nfs/dbraw/zinc/70/63/76/446706376.db2.gz RWQWEEYHHUHPNR-JKSUJKDBSA-N 3 0 327.517 1.029 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000411909591 446719745 /nfs/dbraw/zinc/71/97/45/446719745.db2.gz FZYGZKFLNKJNPG-DOTOQJQBSA-N 2 0 344.459 1.384 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423836685 446725108 /nfs/dbraw/zinc/72/51/08/446725108.db2.gz AKQNAHHMSKBMRY-FHWLQOOXSA-N 2 0 345.487 1.782 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C[NH3+])OC)CC[N@@H+]2C2CC2)c1 ZINC000423837870 446727254 /nfs/dbraw/zinc/72/72/54/446727254.db2.gz XHFUETUUOYDSKW-BRWVUGGUSA-N 2 0 333.432 1.063 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371274171 446733902 /nfs/dbraw/zinc/73/39/02/446733902.db2.gz CTSAKUBCVLXFLM-LJQANCHMSA-N 2 0 348.535 1.491 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423750948 446679730 /nfs/dbraw/zinc/67/97/30/446679730.db2.gz DXHVHBDYNAGFGX-ALOPSCKCSA-N 2 0 330.476 1.893 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000423753733 446683980 /nfs/dbraw/zinc/68/39/80/446683980.db2.gz XTUUVHBIADWXEX-JKSUJKDBSA-N 2 0 339.480 1.395 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCNc2ccccc2F)CC1 ZINC000423890967 446746981 /nfs/dbraw/zinc/74/69/81/446746981.db2.gz ZIUVLZKEYMZQEN-UHFFFAOYSA-N 2 0 336.455 1.947 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC[C@@H]21 ZINC000423895649 446750888 /nfs/dbraw/zinc/75/08/88/446750888.db2.gz GCIZDARYDTWHDI-MOPGFXCFSA-N 2 0 327.472 1.931 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390614 446766263 /nfs/dbraw/zinc/76/62/63/446766263.db2.gz HQJCXSUNNKGUIP-DLBZAZTESA-N 2 0 343.537 1.102 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)CC2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000423934404 446785468 /nfs/dbraw/zinc/78/54/68/446785468.db2.gz VNBNVVOHJMOSBS-ICSRJNTNSA-N 2 0 345.487 1.954 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000424019574 446826564 /nfs/dbraw/zinc/82/65/64/446826564.db2.gz KIJJREYNWYCQJJ-QZTJIDSGSA-N 2 0 331.460 1.475 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)c1 ZINC000371360089 446804332 /nfs/dbraw/zinc/80/43/32/446804332.db2.gz NNEYEVTYBGKOOP-LJQANCHMSA-N 2 0 344.503 1.535 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1 ZINC000424454579 446874391 /nfs/dbraw/zinc/87/43/91/446874391.db2.gz MDAAYPQBXYTTLI-OAHLLOKOSA-N 2 0 346.475 1.629 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000424454879 446874610 /nfs/dbraw/zinc/87/46/10/446874610.db2.gz MNQKZHIPDVTRNT-ZBFHGGJFSA-N 2 0 332.448 1.381 20 0 EDADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424458605 446876107 /nfs/dbraw/zinc/87/61/07/446876107.db2.gz UIIYQGALWIGCHD-UHFFFAOYSA-N 2 0 332.448 1.383 20 0 EDADRP CC[NH+](CC)CCCN1CC[N@H+](C[C@@H]2CN(C)CCO2)C[C@@H]1C ZINC000368460996 446878567 /nfs/dbraw/zinc/87/85/67/446878567.db2.gz GDGOPAHUUUMXQM-ROUUACIJSA-N 2 0 326.529 1.055 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)c1 ZINC000424462741 446880112 /nfs/dbraw/zinc/88/01/12/446880112.db2.gz GCMCHKMIGHAODN-UHFFFAOYSA-N 2 0 344.459 1.479 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+]2[C@H](C(N)=O)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000375597827 446915582 /nfs/dbraw/zinc/91/55/82/446915582.db2.gz LOSHUZMWYPDXDC-BZSNNMDCSA-N 2 0 336.524 1.521 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCN3CCO[C@@H](C)C3)CC2)CC1 ZINC000375599348 446916035 /nfs/dbraw/zinc/91/60/35/446916035.db2.gz PYEHJLKFQSOZRL-SFHVURJKSA-N 2 0 338.540 1.198 20 0 EDADRP c1cc(CN2CCOCC2)cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)c1 ZINC000420965568 446935716 /nfs/dbraw/zinc/93/57/16/446935716.db2.gz POMAMMLPSSUQED-HXUWFJFHSA-N 2 0 346.471 1.900 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000377124497 446935763 /nfs/dbraw/zinc/93/57/63/446935763.db2.gz FQGNGUOULCFZTG-NVXWUHKLSA-N 2 0 333.480 1.616 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000368570360 446948500 /nfs/dbraw/zinc/94/85/00/446948500.db2.gz SULJWHFFASEJSC-KGLIPLIRSA-N 2 0 333.436 1.501 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173651 446969975 /nfs/dbraw/zinc/96/99/75/446969975.db2.gz PJRIPSJUFMCEPZ-IXDOHACOSA-N 2 0 338.496 1.269 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419228074 447018563 /nfs/dbraw/zinc/01/85/63/447018563.db2.gz GGMZYOFDWNWGFU-KRWDZBQOSA-N 2 0 346.475 1.183 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000419166862 446984314 /nfs/dbraw/zinc/98/43/14/446984314.db2.gz HTLWIOSVXQWAES-OAGGEKHMSA-N 2 0 338.496 1.014 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413092304 446995714 /nfs/dbraw/zinc/99/57/14/446995714.db2.gz FUKJWCPHZJWAFR-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419480238 447212123 /nfs/dbraw/zinc/21/21/23/447212123.db2.gz MYUMAJUNRIUVTH-OAGGEKHMSA-N 2 0 338.496 1.143 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)CC1 ZINC000375952688 447170171 /nfs/dbraw/zinc/17/01/71/447170171.db2.gz CQJJMXOTEMXQJD-RBUKOAKNSA-N 2 0 339.524 1.672 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419500876 447228323 /nfs/dbraw/zinc/22/83/23/447228323.db2.gz APGQUAFMPCYOPZ-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NC1CC[NH+](CC2CC2)CC1 ZINC000369028759 447274642 /nfs/dbraw/zinc/27/46/42/447274642.db2.gz SEWMHDXATCBYTP-IRXDYDNUSA-N 2 0 336.480 1.023 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458810998 447480291 /nfs/dbraw/zinc/48/02/91/447480291.db2.gz OCIDZDHCTRPDHS-HZPDHXFCSA-N 2 0 328.501 1.253 20 0 EDADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000419908902 447483515 /nfs/dbraw/zinc/48/35/15/447483515.db2.gz FLMTUFRZNDINSY-CABCVRRESA-N 2 0 347.463 1.072 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@H+]1CCO ZINC000458863488 447491399 /nfs/dbraw/zinc/49/13/99/447491399.db2.gz YSYHSDQVKCKRMX-QGZVFWFLSA-N 2 0 340.512 1.399 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1F ZINC000458867407 447493353 /nfs/dbraw/zinc/49/33/53/447493353.db2.gz QPTCIXLEVHKBBF-OWCLPIDISA-N 2 0 328.476 1.935 20 0 EDADRP CC(=O)[C@@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450470356 447499084 /nfs/dbraw/zinc/49/90/84/447499084.db2.gz ACBOAAPJOHMEBM-IBGZPJMESA-N 2 0 339.524 1.455 20 0 EDADRP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000426772212 447500945 /nfs/dbraw/zinc/50/09/45/447500945.db2.gz CHGQMANNRPFTJG-IRXDYDNUSA-N 2 0 339.524 1.802 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000419963143 447516799 /nfs/dbraw/zinc/51/67/99/447516799.db2.gz UPJCSWYAVPFFRZ-OAHLLOKOSA-N 2 0 340.512 1.056 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+](CC)CC ZINC000427094097 447543389 /nfs/dbraw/zinc/54/33/89/447543389.db2.gz PFWWBPBJTQWKQP-FGTMMUONSA-N 2 0 339.524 1.991 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192203 447556236 /nfs/dbraw/zinc/55/62/36/447556236.db2.gz ZULCNDDGHVFCLA-WBVHZDCISA-N 2 0 331.460 1.392 20 0 EDADRP COC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398105978 447556433 /nfs/dbraw/zinc/55/64/33/447556433.db2.gz BNODITHIRSXEAS-AEFFLSMTSA-N 2 0 345.487 1.782 20 0 EDADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])CC1)CC(C)C ZINC000420031230 447556643 /nfs/dbraw/zinc/55/66/43/447556643.db2.gz RFAPOOZKDSUSHI-HNNXBMFYSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)C1 ZINC000459066138 447560680 /nfs/dbraw/zinc/56/06/80/447560680.db2.gz UURJXAIGFLDMEQ-MRMKYMKASA-N 2 0 334.508 1.983 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000459135936 447591196 /nfs/dbraw/zinc/59/11/96/447591196.db2.gz BCHKWQWDOCXSQE-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000420111434 447608921 /nfs/dbraw/zinc/60/89/21/447608921.db2.gz CKKWJARZAYJIHF-JKIFEVAISA-N 2 0 344.459 1.018 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000416838084 447694198 /nfs/dbraw/zinc/69/41/98/447694198.db2.gz ISNBHKKMNAMUJZ-BPQIPLTHSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416850601 447695444 /nfs/dbraw/zinc/69/54/44/447695444.db2.gz KEEZEWNBBSYCKR-QAPCUYQASA-N 2 0 348.491 1.987 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000420174076 447654507 /nfs/dbraw/zinc/65/45/07/447654507.db2.gz SDFZKYPRDLADPF-OAHLLOKOSA-N 2 0 348.491 1.211 20 0 EDADRP O=C1O[C@]2(CN1CN1CC[C@@H]([NH+]3CCCCC3)C1)C[NH+]1CCC2CC1 ZINC000495961389 447679027 /nfs/dbraw/zinc/67/90/27/447679027.db2.gz LBIMCCXCRAOKIW-MJGOQNOKSA-N 2 0 348.491 1.421 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000457943904 447679522 /nfs/dbraw/zinc/67/95/22/447679522.db2.gz SWRNYYUAWKRUGB-VVLHAWIVSA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cn(C)cn2)CC1 ZINC000459656737 447734751 /nfs/dbraw/zinc/73/47/51/447734751.db2.gz HRZPEQXBZCRLNS-UHFFFAOYSA-N 2 0 327.476 1.894 20 0 EDADRP CN(CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)CC1([NH+](C)C)CCC1 ZINC000496182808 447735584 /nfs/dbraw/zinc/73/55/84/447735584.db2.gz XVEBMFUEENZKSN-GOSISDBHSA-N 2 0 336.480 1.277 20 0 EDADRP [NH3+][C@H]1C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)c2ccccc21 ZINC000422784855 447749715 /nfs/dbraw/zinc/74/97/15/447749715.db2.gz MNODKVHEVQZORL-JKSUJKDBSA-N 2 0 342.443 1.976 20 0 EDADRP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000459715531 447749972 /nfs/dbraw/zinc/74/99/72/447749972.db2.gz PLNPTYCGMQPYJA-MRXNPFEDSA-N 2 0 337.512 1.908 20 0 EDADRP COCCCN(C)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790788 447751130 /nfs/dbraw/zinc/75/11/30/447751130.db2.gz XYOFULPXMUCNER-MJGOQNOKSA-N 2 0 333.476 1.800 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422838940 447765726 /nfs/dbraw/zinc/76/57/26/447765726.db2.gz YUALRZPEYIRCQX-UYAOXDASSA-N 3 0 330.520 1.782 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459730485 447754074 /nfs/dbraw/zinc/75/40/74/447754074.db2.gz KGJFDQFCCYBOIX-MRXNPFEDSA-N 2 0 333.476 1.975 20 0 EDADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422824986 447761205 /nfs/dbraw/zinc/76/12/05/447761205.db2.gz OUIFWBHKETXGAJ-IPMKNSEASA-N 2 0 347.503 1.874 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422841758 447766838 /nfs/dbraw/zinc/76/68/38/447766838.db2.gz DKCGKJXNJGJPFJ-WMZOPIPTSA-N 2 0 338.540 1.877 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944155 447777755 /nfs/dbraw/zinc/77/77/55/447777755.db2.gz ZGXIVTOZUHNFIN-JSGCOSHPSA-N 2 0 346.880 1.470 20 0 EDADRP CC[C@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422963539 447782206 /nfs/dbraw/zinc/78/22/06/447782206.db2.gz GFNORDDHXXBFIC-HSALFYBXSA-N 2 0 331.504 1.916 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000422995270 447789000 /nfs/dbraw/zinc/78/90/00/447789000.db2.gz XQDQLOHRYAEVAL-PMPSAXMXSA-N 2 0 343.479 1.448 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@@H]3C[NH2+]CCO3)CC2)CC1 ZINC000431021518 447789794 /nfs/dbraw/zinc/78/97/94/447789794.db2.gz JXKWORCNCOUXPD-DAWZGUTISA-N 2 0 337.508 1.724 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCC(=O)NC23CCC3)CC[NH2+]CC1 ZINC000423105191 447805934 /nfs/dbraw/zinc/80/59/34/447805934.db2.gz CESUWGWGHRKEHC-KBPBESRZSA-N 2 0 337.464 1.099 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000471635110 447806809 /nfs/dbraw/zinc/80/68/09/447806809.db2.gz HZEDCOLKJVSIRM-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CC[NH2+]C1 ZINC000423112500 447807598 /nfs/dbraw/zinc/80/75/98/447807598.db2.gz XJXLFBGAIXHKET-QWHCGFSZSA-N 2 0 345.896 1.596 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487692857 447836372 /nfs/dbraw/zinc/83/63/72/447836372.db2.gz SFZTVUTUTPSOPE-HZPDHXFCSA-N 2 0 326.485 1.004 20 0 EDADRP CCOC(=O)N1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000496711539 447853694 /nfs/dbraw/zinc/85/36/94/447853694.db2.gz CRUIWYQLVGDKHN-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000523320770 447878713 /nfs/dbraw/zinc/87/87/13/447878713.db2.gz YZNOLGYUPHAUKV-MSOLQXFVSA-N 2 0 345.491 1.782 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000575741006 447886496 /nfs/dbraw/zinc/88/64/96/447886496.db2.gz QGJNFFDJIKOCNG-MRXNPFEDSA-N 2 0 348.495 1.539 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CC[N@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665622 447897329 /nfs/dbraw/zinc/89/73/29/447897329.db2.gz MDLWEXJINKIBOO-SJLPKXTDSA-N 2 0 345.487 1.954 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)N(C)c1ccccc1 ZINC000524903408 447959858 /nfs/dbraw/zinc/95/98/58/447959858.db2.gz MVADAVIEZZSOFG-QGZVFWFLSA-N 2 0 349.523 1.646 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211271 447999221 /nfs/dbraw/zinc/99/92/21/447999221.db2.gz NSGBLBRUEDPUEC-BPQIPLTHSA-N 2 0 346.475 1.327 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000571438801 448155109 /nfs/dbraw/zinc/15/51/09/448155109.db2.gz FTPLPSBIDZYUSU-BVBHFADKSA-N 2 0 345.487 1.780 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000576709552 448122921 /nfs/dbraw/zinc/12/29/21/448122921.db2.gz VERIREDWPBSQAJ-UHFFFAOYSA-N 2 0 349.479 1.292 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000571315985 448135479 /nfs/dbraw/zinc/13/54/79/448135479.db2.gz QQDJXXDMRPJDPO-HXUWFJFHSA-N 2 0 349.519 1.700 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029962 448138463 /nfs/dbraw/zinc/13/84/63/448138463.db2.gz UCESPPWEXPEOPQ-HZPDHXFCSA-N 2 0 343.512 1.878 20 0 EDADRP O=C(NCc1nccn1CCc1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576927862 448171259 /nfs/dbraw/zinc/17/12/59/448171259.db2.gz GVKAVDZUHPQGGR-QLPKVWCKSA-N 2 0 325.416 1.143 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](NC(=O)/C=C\C[NH+](C)C)C2)cc(OC)c1 ZINC000492074080 448175173 /nfs/dbraw/zinc/17/51/73/448175173.db2.gz RMCWIRWCBTWYSA-KJPDOMRESA-N 2 0 347.459 1.512 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000577026133 448195792 /nfs/dbraw/zinc/19/57/92/448195792.db2.gz JCHJVORRMFWLHP-IUVQAAGXSA-N 2 0 333.476 1.138 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(-n3cccn3)c(Cl)c2)[C@@H](C[NH3+])C1 ZINC000571890601 448228354 /nfs/dbraw/zinc/22/83/54/448228354.db2.gz QIGIRKMKRBSZKM-ZDUSSCGKSA-N 2 0 348.838 1.632 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000514961967 448234802 /nfs/dbraw/zinc/23/48/02/448234802.db2.gz BXVMFYAYPRBEKL-BZSNNMDCSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)N[C@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC000577252247 448247297 /nfs/dbraw/zinc/24/72/97/448247297.db2.gz YJLLKDCNMBEIBO-UHOSZYNNSA-N 2 0 338.455 1.968 20 0 EDADRP C[NH+]1CCN(CCNC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)CC1(C)C ZINC000577359098 448274175 /nfs/dbraw/zinc/27/41/75/448274175.db2.gz VPNZOIAOQPECMD-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCOCC1 ZINC000532499938 448266632 /nfs/dbraw/zinc/26/66/32/448266632.db2.gz HKPZTWIJTMADLC-SFHVURJKSA-N 2 0 327.513 1.171 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C[N@@H+]1C1CC1 ZINC000515504727 448324309 /nfs/dbraw/zinc/32/43/09/448324309.db2.gz DELDBAUTSSNORH-KMFMINBZSA-N 2 0 337.533 1.945 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000515655832 448340489 /nfs/dbraw/zinc/34/04/89/448340489.db2.gz ROOBBEHOUPKACS-GOSISDBHSA-N 2 0 330.476 1.145 20 0 EDADRP O=C(CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1 ZINC000516047993 448371799 /nfs/dbraw/zinc/37/17/99/448371799.db2.gz AHPKPSUTSXFADH-IBGZPJMESA-N 2 0 339.439 1.634 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H](c2nccn2C)C(F)(F)F)C1 ZINC000577766804 448383187 /nfs/dbraw/zinc/38/31/87/448383187.db2.gz KDAGLSOMXPJHKT-NEPJUHHUSA-N 2 0 348.369 1.293 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCO[C@]3(CCSC3)C2)C[C@H](C)O1 ZINC000577741741 448374445 /nfs/dbraw/zinc/37/44/45/448374445.db2.gz YZOIPJYQKXNFDP-ZHCJQAHYSA-N 2 0 344.521 1.101 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000582910614 448377363 /nfs/dbraw/zinc/37/73/63/448377363.db2.gz NBCCTUJHVGMION-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000577759274 448381690 /nfs/dbraw/zinc/38/16/90/448381690.db2.gz YSMPMGCZBFFPJS-HKUYNNGSSA-N 2 0 331.460 1.252 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000572719282 448447995 /nfs/dbraw/zinc/44/79/95/448447995.db2.gz SBXSAULIZFEXDW-QAPCUYQASA-N 2 0 330.476 1.986 20 0 EDADRP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572751238 448455495 /nfs/dbraw/zinc/45/54/95/448455495.db2.gz AXRUKZQRYFAUKP-FXAWDEMLSA-N 2 0 333.520 1.939 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000578189924 448479835 /nfs/dbraw/zinc/47/98/35/448479835.db2.gz IVMGAKCIOXLFDS-KRWDZBQOSA-N 2 0 328.460 1.552 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000572855364 448482038 /nfs/dbraw/zinc/48/20/38/448482038.db2.gz NWPXTGGAQIGMSM-NXHRZFHOSA-N 2 0 346.475 1.185 20 0 EDADRP C[C@@H]1C[C@@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000591757046 448482123 /nfs/dbraw/zinc/48/21/23/448482123.db2.gz TXAQEWMQXBCXSG-GDBMZVCRSA-N 2 0 332.448 1.462 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000528339611 448491916 /nfs/dbraw/zinc/49/19/16/448491916.db2.gz XYAQGJDPKNICHD-SFFUCWETSA-N 2 0 339.524 1.920 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000591865318 448508689 /nfs/dbraw/zinc/50/86/89/448508689.db2.gz QRTOHFUADPTFHO-CQSZACIVSA-N 2 0 325.403 1.807 20 0 EDADRP O=C1N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000578349706 448525473 /nfs/dbraw/zinc/52/54/73/448525473.db2.gz NDAVPLPFORQABU-HNAYVOBHSA-N 2 0 342.443 1.183 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCN(CC[NH+](C)Cc2ccccc2)CC1 ZINC000566628132 448526162 /nfs/dbraw/zinc/52/61/62/448526162.db2.gz JJSJJHYQVVGIAC-HXUWFJFHSA-N 2 0 348.535 1.049 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1ccc2c[nH]nc2c1)N1CC[NH2+]CC1 ZINC000566666295 448531798 /nfs/dbraw/zinc/53/17/98/448531798.db2.gz FGIPASRMTXPXRJ-AWEZNQCLSA-N 2 0 327.354 1.489 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nccc(C(F)F)n1 ZINC000517255122 448564923 /nfs/dbraw/zinc/56/49/23/448564923.db2.gz JNPXIPTWEWVSDE-UHFFFAOYSA-N 2 0 344.410 1.049 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CCC(=O)NC2(C)C)c2ccccc2)CC1 ZINC000566892155 448578291 /nfs/dbraw/zinc/57/82/91/448578291.db2.gz ZKKNSDCHUXFALE-ZWKOTPCHSA-N 2 0 344.503 1.622 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573090442 448540743 /nfs/dbraw/zinc/54/07/43/448540743.db2.gz IGDBZFDPQVFZFI-OAHLLOKOSA-N 2 0 334.464 1.547 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000517385521 448578644 /nfs/dbraw/zinc/57/86/44/448578644.db2.gz VBILFTGQCHTTRF-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)CC1(O)CCC1 ZINC000528491429 448551665 /nfs/dbraw/zinc/55/16/65/448551665.db2.gz SBHYBYOLNFLFKH-CEXWTWQISA-N 2 0 330.472 1.716 20 0 EDADRP C[NH+]1CCC2(CC1)C[C@H]([NH2+]C[C@@H](O)[C@H]1CCOC1)c1ccccc1O2 ZINC000537191726 448552464 /nfs/dbraw/zinc/55/24/64/448552464.db2.gz XDUQOBGAPBCRRV-RYQLBKOJSA-N 2 0 346.471 1.962 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000578730489 448619066 /nfs/dbraw/zinc/61/90/66/448619066.db2.gz GKXJVLMILCABGT-CVEARBPZSA-N 2 0 339.528 1.090 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000517414800 448581990 /nfs/dbraw/zinc/58/19/90/448581990.db2.gz BPKARGDPOGRAAD-IXDOHACOSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2cc1C ZINC000566916352 448585028 /nfs/dbraw/zinc/58/50/28/448585028.db2.gz ZWPVNEDVQITMHX-IAGOWNOFSA-N 2 0 346.475 1.060 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNc3nc(C)ncc3C)cn2)CC1 ZINC000517586770 448597554 /nfs/dbraw/zinc/59/75/54/448597554.db2.gz UQDBOBREBDZVBA-UHFFFAOYSA-N 2 0 326.448 2.242 20 0 EDADRP CCOC[C@H]1C[N@H+](C[C@H](O)Cn2cnc3cc(C)c(C)cc32)CCO1 ZINC000528718630 448642875 /nfs/dbraw/zinc/64/28/75/448642875.db2.gz HLZASHXPJSZBQY-DLBZAZTESA-N 2 0 347.459 1.751 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000518164244 448648387 /nfs/dbraw/zinc/64/83/87/448648387.db2.gz DKHLUZPZUBJGLI-GDBMZVCRSA-N 2 0 328.464 1.902 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000573446288 448630321 /nfs/dbraw/zinc/63/03/21/448630321.db2.gz VXPRLCGXKDFZHZ-QLFBSQMISA-N 2 0 331.464 1.111 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@@H](C)C1 ZINC000567209427 448635998 /nfs/dbraw/zinc/63/59/98/448635998.db2.gz AMKCKPNWUAYOSZ-ZJOBFFGXSA-N 2 0 331.464 1.639 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000573776307 448707289 /nfs/dbraw/zinc/70/72/89/448707289.db2.gz BYVGJKGPHFOGMD-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000518772344 448709407 /nfs/dbraw/zinc/70/94/07/448709407.db2.gz PWGJVAAUHVZDDW-UXLLHSPISA-N 2 0 331.464 1.412 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000567578317 448716654 /nfs/dbraw/zinc/71/66/54/448716654.db2.gz KMWUMLXZBJJQNL-SFHVURJKSA-N 2 0 345.491 1.782 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000529288877 448809364 /nfs/dbraw/zinc/80/93/64/448809364.db2.gz NPCCZDUOOJXHNN-OWCLPIDISA-N 2 0 326.485 1.125 20 0 EDADRP O=C(NCCN1CCc2sccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529298649 448811545 /nfs/dbraw/zinc/81/15/45/448811545.db2.gz MAELVRXMTWPTMO-HNNXBMFYSA-N 2 0 334.489 1.690 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC[C@H]1COCC[NH2+]1 ZINC000529297331 448811706 /nfs/dbraw/zinc/81/17/06/448811706.db2.gz CFRSYPJKIAQONA-SFHVURJKSA-N 2 0 346.475 1.186 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000574078230 448786569 /nfs/dbraw/zinc/78/65/69/448786569.db2.gz XHRBNFFFHZFGME-UHFFFAOYSA-N 2 0 330.476 1.179 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000545299705 448786825 /nfs/dbraw/zinc/78/68/25/448786825.db2.gz LBUIWYCXVCHYEF-MJGOQNOKSA-N 2 0 327.476 1.850 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)N1CCc2ccccc2C1 ZINC000574198358 448815910 /nfs/dbraw/zinc/81/59/10/448815910.db2.gz XQLDYAIGZPUQJV-QGZVFWFLSA-N 2 0 346.519 1.385 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529310008 448816474 /nfs/dbraw/zinc/81/64/74/448816474.db2.gz MQCGUOLQQVBOBD-YJBOKZPZSA-N 2 0 346.475 1.500 20 0 EDADRP O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)Cc1cccc(Cl)c1 ZINC000568511243 448882950 /nfs/dbraw/zinc/88/29/50/448882950.db2.gz KALBMZOOPOOTRX-QGZVFWFLSA-N 2 0 326.868 1.680 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC[NH2+]C1CC1 ZINC000579971513 448926005 /nfs/dbraw/zinc/92/60/05/448926005.db2.gz DJCITSZXRAZCTE-INIZCTEOSA-N 2 0 330.476 1.455 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000568862688 448929225 /nfs/dbraw/zinc/92/92/25/448929225.db2.gz STBMUNNNMJVFAY-OAHLLOKOSA-N 2 0 334.468 1.024 20 0 EDADRP [NH3+]CCc1nc(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)cs1 ZINC000579839568 448893273 /nfs/dbraw/zinc/89/32/73/448893273.db2.gz BFSDWFVIULDSPJ-UHFFFAOYSA-N 2 0 337.474 1.820 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)nn1 ZINC000574859216 448972402 /nfs/dbraw/zinc/97/24/02/448972402.db2.gz ODTYQFRJHJAQIF-HNNXBMFYSA-N 2 0 329.404 1.345 20 0 EDADRP c1c(CN[C@@H]2C[NH2+]C[C@H]2c2ccccc2)onc1C1CC[NH2+]CC1 ZINC000569232912 448985774 /nfs/dbraw/zinc/98/57/74/448985774.db2.gz VVLACLJYLQFNDE-PKOBYXMFSA-N 2 0 326.444 1.987 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H]3C[NH+]3CCCCC3)c21 ZINC000592956887 449077872 /nfs/dbraw/zinc/07/78/72/449077872.db2.gz IUJYZYQNCMVWDN-CVEARBPZSA-N 2 0 345.491 1.810 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N(C)CCC[NH+](C)C)CC2)CC1 ZINC000582250661 449048522 /nfs/dbraw/zinc/04/85/22/449048522.db2.gz YPFMRFWFCNFDNG-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP Cc1cc(NC(=O)NC[C@@H]2CCC[N@H+]2C)n(C2CC[NH+](C)CC2)n1 ZINC000582278090 449053469 /nfs/dbraw/zinc/05/34/69/449053469.db2.gz FRWPDKQFNIIXHI-HNNXBMFYSA-N 2 0 334.468 1.674 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000522147022 449056666 /nfs/dbraw/zinc/05/66/66/449056666.db2.gz LCXGCTUWGWPUMW-LJQANCHMSA-N 2 0 344.503 1.392 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592961613 449085134 /nfs/dbraw/zinc/08/51/34/449085134.db2.gz PVQWKSGMSXAUOI-HZPDHXFCSA-N 2 0 345.491 1.523 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C2(CCCCC2)C1 ZINC000592960636 449085208 /nfs/dbraw/zinc/08/52/08/449085208.db2.gz AHMXVECPULXSEH-HNNXBMFYSA-N 2 0 345.491 1.810 20 0 EDADRP COC(=O)CC[N@@H+]1CCN(Cc2cc(OC(C)C)ccn2)[C@H](C)C1 ZINC000593019403 449104593 /nfs/dbraw/zinc/10/45/93/449104593.db2.gz AVBWXTYLQGLWBU-OAHLLOKOSA-N 2 0 335.448 1.938 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1)[NH+](C)C ZINC000600001825 449144298 /nfs/dbraw/zinc/14/42/98/449144298.db2.gz SERPLWMRJDELMJ-MRXNPFEDSA-N 2 0 334.464 1.503 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602095136 449340525 /nfs/dbraw/zinc/34/05/25/449340525.db2.gz DGLQKAXZYKNJPQ-MSOLQXFVSA-N 2 0 334.508 1.242 20 0 EDADRP CC[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427048 449382541 /nfs/dbraw/zinc/38/25/41/449382541.db2.gz NZNZNOPNIHIEGR-JKSUJKDBSA-N 2 0 338.496 1.048 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(C3CCC3)C2=O)CC[NH2+]CC1 ZINC000600713315 449511709 /nfs/dbraw/zinc/51/17/09/449511709.db2.gz HQIIPBPOTONMLE-HIFRSBDPSA-N 2 0 337.464 1.051 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C2)CC1 ZINC000594438480 449517597 /nfs/dbraw/zinc/51/75/97/449517597.db2.gz IZECXHPULAGHHG-ZHALLVOQSA-N 2 0 334.508 1.003 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602466619 449612535 /nfs/dbraw/zinc/61/25/35/449612535.db2.gz JPKWXFGUPLJYDF-RCDICMHDSA-N 2 0 331.526 1.114 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000617506610 449655400 /nfs/dbraw/zinc/65/54/00/449655400.db2.gz SYBJZMAGQXCUCY-FUHWJXTLSA-N 2 0 338.540 1.782 20 0 EDADRP COC(=O)c1cc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)[nH]c1C ZINC000602533142 449656500 /nfs/dbraw/zinc/65/65/00/449656500.db2.gz OHLORPKVGYNRTB-UHFFFAOYSA-N 2 0 348.491 1.758 20 0 EDADRP COC(=O)c1csc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c1 ZINC000602509385 449639002 /nfs/dbraw/zinc/63/90/02/449639002.db2.gz FDRNTYLMUCSUOF-UHFFFAOYSA-N 2 0 325.478 1.652 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000594926612 449810089 /nfs/dbraw/zinc/81/00/89/449810089.db2.gz UKJCHWSOCNKWCH-ZYSHUDEJSA-N 2 0 345.487 1.721 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000601272556 449791372 /nfs/dbraw/zinc/79/13/72/449791372.db2.gz HCAOWLYATNHFAI-UHFFFAOYSA-N 2 0 335.448 1.843 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC2CC[NH+](CCO)CC2)[NH+](C)C)cc1 ZINC000601283464 449796478 /nfs/dbraw/zinc/79/64/78/449796478.db2.gz BLWMCXPMQGIXQL-SFHVURJKSA-N 2 0 348.491 1.354 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612930188 449944529 /nfs/dbraw/zinc/94/45/29/449944529.db2.gz MZMPJQIQCDTPPC-BQFCYCMXSA-N 2 0 332.448 1.192 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000612964138 449960266 /nfs/dbraw/zinc/96/02/66/449960266.db2.gz QLYJFGURMHBAPJ-QGZVFWFLSA-N 2 0 343.475 1.487 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612985890 449971594 /nfs/dbraw/zinc/97/15/94/449971594.db2.gz XNEWTJYKBMMSPO-KRWDZBQOSA-N 2 0 330.476 1.732 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCCC[C@@H]4NC3=O)C2)CC1 ZINC000595312059 450025734 /nfs/dbraw/zinc/02/57/34/450025734.db2.gz KWNBTMXPGQJTEU-ZJPYXAASSA-N 2 0 334.508 1.146 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613581242 450235237 /nfs/dbraw/zinc/23/52/37/450235237.db2.gz ASBICEIXDDOANE-SFHVURJKSA-N 2 0 333.476 1.296 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)(N2CCOCC2)CC1 ZINC000623548821 450541193 /nfs/dbraw/zinc/54/11/93/450541193.db2.gz DNSRDVKCHVKCCO-QGZVFWFLSA-N 2 0 338.540 1.245 20 0 EDADRP C[C@@H](CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)n1ccnc1 ZINC000620917057 450561036 /nfs/dbraw/zinc/56/10/36/450561036.db2.gz AGUYKEFKROKJRH-HOTGVXAUSA-N 2 0 334.464 1.936 20 0 EDADRP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069735 450621170 /nfs/dbraw/zinc/62/11/70/450621170.db2.gz QXHUITIMPILUTN-HKUYNNGSSA-N 2 0 331.460 1.203 20 0 EDADRP CC[C@@H](CO)N1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000626209461 450625466 /nfs/dbraw/zinc/62/54/66/450625466.db2.gz VPXKCDDSRGZBMU-GBESFXJTSA-N 2 0 345.487 1.247 20 0 EDADRP CNS(=O)(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000621263383 450642748 /nfs/dbraw/zinc/64/27/48/450642748.db2.gz PQRJNUULTWUODE-HNNXBMFYSA-N 2 0 331.526 1.512 20 0 EDADRP [NH3+]CCCOCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000629399222 450649332 /nfs/dbraw/zinc/64/93/32/450649332.db2.gz DIHYAEKVVAQRMN-UHFFFAOYSA-N 2 0 327.226 1.552 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081829 450668347 /nfs/dbraw/zinc/66/83/47/450668347.db2.gz MJBGCHLVXPTNDI-QZTJIDSGSA-N 2 0 330.476 1.963 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000633036999 450633398 /nfs/dbraw/zinc/63/33/98/450633398.db2.gz QHQFIJAPUJPCTI-KOMQPUFPSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522108 450725032 /nfs/dbraw/zinc/72/50/32/450725032.db2.gz XSWNMPXUKWWJIJ-ZDUSSCGKSA-N 2 0 331.416 1.159 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC[N@@H+](C2CCC2)C1 ZINC000633183027 450727482 /nfs/dbraw/zinc/72/74/82/450727482.db2.gz WPWLLOVSECLKTE-HNNXBMFYSA-N 2 0 333.480 1.391 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000629571226 450743129 /nfs/dbraw/zinc/74/31/29/450743129.db2.gz JTXZZMUHELNDKR-UHFFFAOYSA-N 2 0 333.476 1.981 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631787132 450777038 /nfs/dbraw/zinc/77/70/38/450777038.db2.gz AROCMXCSLCNWRA-MRXNPFEDSA-N 2 0 345.553 1.902 20 0 EDADRP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000621669289 450824728 /nfs/dbraw/zinc/82/47/28/450824728.db2.gz IXSOXJODJDCCGJ-SJLPKXTDSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631946722 450905090 /nfs/dbraw/zinc/90/50/90/450905090.db2.gz IKXPTOOXEGSDPI-KRWDZBQOSA-N 2 0 337.489 1.360 20 0 EDADRP C[C@@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+]1CCCCCC1 ZINC000627739906 450910970 /nfs/dbraw/zinc/91/09/70/450910970.db2.gz VCYKDBWXWRRBOG-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP [NH3+]Cc1cccc2c1N(S(=O)(=O)CCC[NH+]1CCCC1)CCC2 ZINC000631954129 450912476 /nfs/dbraw/zinc/91/24/76/450912476.db2.gz CAKKWDDGSXFNIJ-UHFFFAOYSA-N 2 0 337.489 1.714 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000624610480 450919814 /nfs/dbraw/zinc/91/98/14/450919814.db2.gz SXJLBPPGFFJIBR-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000630080415 450988722 /nfs/dbraw/zinc/98/87/22/450988722.db2.gz XGROUFNHJIHSPK-UHFFFAOYSA-N 2 0 335.492 1.576 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCOCC1 ZINC000626920996 451004961 /nfs/dbraw/zinc/00/49/61/451004961.db2.gz GFOZSDABRRDQMZ-AWEZNQCLSA-N 2 0 336.436 1.224 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000626932321 451015024 /nfs/dbraw/zinc/01/50/24/451015024.db2.gz VKTWDRNXPCTBMC-ZBFHGGJFSA-N 2 0 334.464 1.567 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000626944524 451023332 /nfs/dbraw/zinc/02/33/32/451023332.db2.gz ZWAKVHRHIQOZIR-HNNXBMFYSA-N 2 0 326.416 1.045 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)NCC2([NH3+])CCOCC2)([NH+](C)C)C1 ZINC000626946248 451025492 /nfs/dbraw/zinc/02/54/92/451025492.db2.gz TYQBANURXWQPAL-PBHICJAKSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000626947778 451026605 /nfs/dbraw/zinc/02/66/05/451026605.db2.gz YFHYLWRMDYOUIA-QLFBSQMISA-N 2 0 326.485 1.031 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626951703 451029420 /nfs/dbraw/zinc/02/94/20/451029420.db2.gz FIHDGZIGOWWEOT-RDJZCZTQSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC[N@@H+]1C ZINC000626986989 451052824 /nfs/dbraw/zinc/05/28/24/451052824.db2.gz TULMULBFYRWPSX-FDYHWXHSSA-N 2 0 336.402 1.638 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000627002285 451067249 /nfs/dbraw/zinc/06/72/49/451067249.db2.gz USUYHVZJQCOYFF-OAHLLOKOSA-N 2 0 326.485 1.162 20 0 EDADRP CC(C)C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)n1ccnc1 ZINC000635611011 451103459 /nfs/dbraw/zinc/10/34/59/451103459.db2.gz KFMSHMPHJQNIGY-IRXDYDNUSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000627069406 451110329 /nfs/dbraw/zinc/11/03/29/451110329.db2.gz OFULIVSAHVWXRH-CYDGBPFRSA-N 2 0 336.402 1.543 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000627088105 451118077 /nfs/dbraw/zinc/11/80/77/451118077.db2.gz FPBWQFUGUAQLFE-AGIUHOORSA-N 2 0 336.402 1.673 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000633958193 451122740 /nfs/dbraw/zinc/12/27/40/451122740.db2.gz RPATXLLXGVQWGQ-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627115125 451131237 /nfs/dbraw/zinc/13/12/37/451131237.db2.gz QTGXQWZKHROKGO-KZNAEPCWSA-N 2 0 348.466 1.911 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NS(=O)(=O)CCC[NH+](C)C)[NH+](C)C ZINC000632266358 451156068 /nfs/dbraw/zinc/15/60/68/451156068.db2.gz VLAIFQUGXIZXRM-DOTOQJQBSA-N 2 0 341.521 1.857 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCCOCCC[NH3+] ZINC000627214668 451190944 /nfs/dbraw/zinc/19/09/44/451190944.db2.gz VMMKMAOAOBAQOU-SFHVURJKSA-N 2 0 348.491 1.515 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000635741066 451210860 /nfs/dbraw/zinc/21/08/60/451210860.db2.gz ASYQMSLHWZGHDT-FHWLQOOXSA-N 2 0 345.487 1.470 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635744249 451214390 /nfs/dbraw/zinc/21/43/90/451214390.db2.gz PPXIDXHOVSIAPY-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000638085597 451249732 /nfs/dbraw/zinc/24/97/32/451249732.db2.gz RTUHUGLZRFMRNV-QAPCUYQASA-N 2 0 335.448 1.010 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638088040 451253301 /nfs/dbraw/zinc/25/33/01/451253301.db2.gz YJSJRNBZNDLKBY-UZLBHIALSA-N 2 0 345.487 1.708 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638118840 451286579 /nfs/dbraw/zinc/28/65/79/451286579.db2.gz DTIMZTWKMRSDIK-RHSMWYFYSA-N 2 0 339.443 1.576 20 0 EDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000638113895 451282656 /nfs/dbraw/zinc/28/26/56/451282656.db2.gz QOKLROWTQAWNGA-CQSZACIVSA-N 2 0 332.448 1.449 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000638127632 451299259 /nfs/dbraw/zinc/29/92/59/451299259.db2.gz WXZRECBXUQLFKV-INIZCTEOSA-N 2 0 343.471 1.056 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638136878 451309753 /nfs/dbraw/zinc/30/97/53/451309753.db2.gz OKPOYQMRRYKKPQ-LJQANCHMSA-N 2 0 342.487 1.488 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000640451221 451324875 /nfs/dbraw/zinc/32/48/75/451324875.db2.gz LREGJKSKKAFNIG-GASCZTMLSA-N 2 0 338.496 1.399 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640531918 451382443 /nfs/dbraw/zinc/38/24/43/451382443.db2.gz LDCQVIHNTIBQLO-UHFFFAOYSA-N 3 0 338.540 1.785 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638267083 451387673 /nfs/dbraw/zinc/38/76/73/451387673.db2.gz FDRKLEGMLGAYDG-ZWKOTPCHSA-N 2 0 344.503 1.614 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[NH2+]CC3)ccc2[nH]c1=O ZINC000638191204 451347367 /nfs/dbraw/zinc/34/73/67/451347367.db2.gz UPZKWHHQKZEEPO-AWEZNQCLSA-N 2 0 345.447 1.175 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638277272 451396217 /nfs/dbraw/zinc/39/62/17/451396217.db2.gz XUUBDGPQGYSMDC-MJGOQNOKSA-N 2 0 333.476 1.864 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749187 451396829 /nfs/dbraw/zinc/39/68/29/451396829.db2.gz IIYUPJFIMVYRLD-QUCCMNQESA-N 2 0 345.487 1.472 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640571571 451415661 /nfs/dbraw/zinc/41/56/61/451415661.db2.gz AJRBBADGQCBHOZ-UHFFFAOYSA-N 2 0 336.484 1.148 20 0 EDADRP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638309594 451423218 /nfs/dbraw/zinc/42/32/18/451423218.db2.gz SEAJZFDLTXYYFM-HOCLYGCPSA-N 2 0 339.443 1.576 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638309797 451424581 /nfs/dbraw/zinc/42/45/81/451424581.db2.gz PIVRDJQFSYZYBE-MKXGPGLRSA-N 2 0 343.471 1.616 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000638367272 451464526 /nfs/dbraw/zinc/46/45/26/451464526.db2.gz UDVPAVHOWJUULC-CYBMUJFWSA-N 2 0 329.466 1.671 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712760 451492146 /nfs/dbraw/zinc/49/21/46/451492146.db2.gz LHCRPRXZFBZKPM-RBUKOAKNSA-N 2 0 348.487 1.391 20 0 EDADRP C[N@H+](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)CC(C)(C)C ZINC000638341170 451444880 /nfs/dbraw/zinc/44/48/80/451444880.db2.gz NSZWCSONQKQRFK-NVXWUHKLSA-N 2 0 325.497 1.709 20 0 EDADRP CCOC1CC(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638342057 451446804 /nfs/dbraw/zinc/44/68/04/451446804.db2.gz AGKXGAVSVVCWIY-UHFFFAOYSA-N 2 0 345.487 1.911 20 0 EDADRP OC1CC[NH+](CCCNC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634718678 451498093 /nfs/dbraw/zinc/49/80/93/451498093.db2.gz HQJMXTPECIIAEB-HXUWFJFHSA-N 2 0 347.503 1.060 20 0 EDADRP OCCC[N@@H+]1CCC[C@@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720268 451498909 /nfs/dbraw/zinc/49/89/09/451498909.db2.gz HPQJDAYCJZWOSG-WOJBJXKFSA-N 2 0 347.503 1.060 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cn(C(C)(C)C)nn3)c2)CC1 ZINC000630960067 451509280 /nfs/dbraw/zinc/50/92/80/451509280.db2.gz BZCCYLYLENNWHA-UHFFFAOYSA-N 2 0 329.452 1.792 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000638528328 451560133 /nfs/dbraw/zinc/56/01/33/451560133.db2.gz AHGLKNHPPPHHFI-VQTJNVASSA-N 2 0 335.451 1.747 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638551188 451572929 /nfs/dbraw/zinc/57/29/29/451572929.db2.gz VBGJNLWZAPRDKM-MRTXSQPYSA-N 2 0 333.398 1.893 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@]12CCCO2 ZINC000638618505 451611607 /nfs/dbraw/zinc/61/16/07/451611607.db2.gz IFVOPDPVCOLSOH-WNRNVDISSA-N 2 0 326.481 1.540 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNCC34CC(C3)C[NH2+]4)c2)C1 ZINC000634996038 451641376 /nfs/dbraw/zinc/64/13/76/451641376.db2.gz XMCPSQZWUHLRMD-FDYSRKEFSA-N 2 0 342.487 1.226 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000638763834 451683836 /nfs/dbraw/zinc/68/38/36/451683836.db2.gz JTEPLHOMTNLLNT-HNNXBMFYSA-N 2 0 336.455 1.624 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000638785191 451691686 /nfs/dbraw/zinc/69/16/86/451691686.db2.gz MFTIMRWBZXAWSW-KDOFPFPSSA-N 2 0 331.460 1.937 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325725 451696366 /nfs/dbraw/zinc/69/63/66/451696366.db2.gz BBFKWSPDFMTKCE-MHORFTMASA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCCCC[C@H]([NH3+])C3)cc2)CC1 ZINC000638815123 451699077 /nfs/dbraw/zinc/69/90/77/451699077.db2.gz AMYBBZYTKMVWSM-IBGZPJMESA-N 2 0 344.503 1.778 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)c1cc2c(s1)CC[NH2+]C2 ZINC000638845723 451708456 /nfs/dbraw/zinc/70/84/56/451708456.db2.gz JHMNBHYCACVOJN-UHFFFAOYSA-N 2 0 327.453 1.970 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000638846042 451708937 /nfs/dbraw/zinc/70/89/37/451708937.db2.gz NPIHZRBNIYZBMB-KRWDZBQOSA-N 2 0 339.443 1.383 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000638877756 451716745 /nfs/dbraw/zinc/71/67/45/451716745.db2.gz OLRFLRGKRXGDGU-SFHVURJKSA-N 2 0 332.492 1.090 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638728993 451668793 /nfs/dbraw/zinc/66/87/93/451668793.db2.gz OOKKWHAVLCGFJL-MRXNPFEDSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000632960964 451670662 /nfs/dbraw/zinc/67/06/62/451670662.db2.gz LQWRXYICZBLXTL-KGLIPLIRSA-N 2 0 334.468 1.598 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC000638983582 451745834 /nfs/dbraw/zinc/74/58/34/451745834.db2.gz CGIIJNZMHJJPQE-QGZVFWFLSA-N 2 0 325.416 1.438 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)c1 ZINC000638986221 451747020 /nfs/dbraw/zinc/74/70/20/451747020.db2.gz WZUWXQJOGMYMBR-QGZVFWFLSA-N 2 0 341.415 1.138 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1Cc2cc(F)ccc2O1 ZINC000638986663 451747512 /nfs/dbraw/zinc/74/75/12/451747512.db2.gz XBEBOEBPNKJPSX-MRXNPFEDSA-N 2 0 342.374 1.573 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000639001672 451750563 /nfs/dbraw/zinc/75/05/63/451750563.db2.gz MANVCHOKMAZRLI-AOIWGVFYSA-N 2 0 331.460 1.453 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000637207475 451756472 /nfs/dbraw/zinc/75/64/72/451756472.db2.gz IRWQHODBFXZUIH-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000639056200 451759125 /nfs/dbraw/zinc/75/91/25/451759125.db2.gz BZXUECQQSZOFNW-MRXNPFEDSA-N 2 0 337.508 1.745 20 0 EDADRP COc1cccc2c1CN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C2 ZINC000637263166 451773649 /nfs/dbraw/zinc/77/36/49/451773649.db2.gz GBZOQPOXEKTNON-HNNXBMFYSA-N 2 0 348.491 1.992 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC[NH2+]C2CC2)c1 ZINC000637317199 451787654 /nfs/dbraw/zinc/78/76/54/451787654.db2.gz MGSBLPBXWFARRF-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639306658 451818350 /nfs/dbraw/zinc/81/83/50/451818350.db2.gz GJPSVYCTBRLJCW-USXIJHARSA-N 2 0 328.497 1.377 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000642220649 451840645 /nfs/dbraw/zinc/84/06/45/451840645.db2.gz ZGXTZPQHFTZHNG-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639313125 451822300 /nfs/dbraw/zinc/82/23/00/451822300.db2.gz NPORXJYSGXMHKF-MRXNPFEDSA-N 2 0 333.476 1.588 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000644521963 451837584 /nfs/dbraw/zinc/83/75/84/451837584.db2.gz JTTQTMYGAYXDPA-IAGOWNOFSA-N 2 0 328.497 1.645 20 0 EDADRP Cc1ncccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637428182 451849557 /nfs/dbraw/zinc/84/95/57/451849557.db2.gz WUJXRMJBGACXEZ-GOSISDBHSA-N 2 0 345.491 1.700 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000637441073 451855802 /nfs/dbraw/zinc/85/58/02/451855802.db2.gz VJTQGMDBQDAPOU-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644562960 451864801 /nfs/dbraw/zinc/86/48/01/451864801.db2.gz JAYRUPDRBMMFBX-RBUKOAKNSA-N 2 0 349.519 1.516 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644562958 451864860 /nfs/dbraw/zinc/86/48/60/451864860.db2.gz JAYRUPDRBMMFBX-OALUTQOASA-N 2 0 349.519 1.516 20 0 EDADRP CC(C)[NH+](CCC[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000644581369 451874417 /nfs/dbraw/zinc/87/44/17/451874417.db2.gz GHOCPGRSLGZRTQ-KURKYZTESA-N 2 0 329.529 1.555 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000639453554 451876038 /nfs/dbraw/zinc/87/60/38/451876038.db2.gz NOSIYCNDBHPMAY-HXUWFJFHSA-N 3 0 331.504 1.897 20 0 EDADRP Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(OC(C)C)c1 ZINC000644587571 451881141 /nfs/dbraw/zinc/88/11/41/451881141.db2.gz YPRRNKDGRNFVAG-GOSISDBHSA-N 2 0 335.492 1.480 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000637470888 451889003 /nfs/dbraw/zinc/88/90/03/451889003.db2.gz PVMYHOQWNXMMSL-KRWDZBQOSA-N 2 0 339.528 1.186 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642645155 451905550 /nfs/dbraw/zinc/90/55/50/451905550.db2.gz SPPAXQVCZZDETF-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@H]1OCC[C@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639500303 451905863 /nfs/dbraw/zinc/90/58/63/451905863.db2.gz NGAFRVPCMBZYOD-WBVHZDCISA-N 2 0 339.524 1.827 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210874 451907257 /nfs/dbraw/zinc/90/72/57/451907257.db2.gz PXCFIYKGILPFSK-AEFFLSMTSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000642684761 451915754 /nfs/dbraw/zinc/91/57/54/451915754.db2.gz CQWIGUHTSAMLQY-HUUCEWRRSA-N 2 0 346.475 1.141 20 0 EDADRP OCCN(Cc1cccnc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639517177 451918160 /nfs/dbraw/zinc/91/81/60/451918160.db2.gz GAGFGZSMKHPIMK-FQEVSTJZSA-N 2 0 341.455 1.513 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649279017 451949521 /nfs/dbraw/zinc/94/95/21/451949521.db2.gz QONITYGCRDPLPT-PBHICJAKSA-N 2 0 337.489 1.770 20 0 EDADRP CC(C)(CO)[NH+]1CCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639531208 451927484 /nfs/dbraw/zinc/92/74/84/451927484.db2.gz XJPYQYULWJMIHO-FQEVSTJZSA-N 2 0 347.503 1.012 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)[NH+]1CCCC1 ZINC000649278297 451949869 /nfs/dbraw/zinc/94/98/69/451949869.db2.gz ZTMIMGQFHXTIQR-DJIMGWMZSA-N 2 0 347.459 1.325 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)C1CCCCC1 ZINC000642732166 451941487 /nfs/dbraw/zinc/94/14/87/451941487.db2.gz LFORTUXZNQRGIC-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N(C)CC[NH+](C)C)C1CCCCC1 ZINC000653440054 451953287 /nfs/dbraw/zinc/95/32/87/451953287.db2.gz SABMTGQMEBQXNW-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000646940610 451955827 /nfs/dbraw/zinc/95/58/27/451955827.db2.gz JAYOSJFVDOFMIO-QUCCMNQESA-N 2 0 347.503 1.370 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)CC(C)C ZINC000649285350 451958414 /nfs/dbraw/zinc/95/84/14/451958414.db2.gz QCGOPBPDMUAOBZ-HUUCEWRRSA-N 2 0 336.484 1.299 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CN1CCCC[C@H]([NH3+])C1=O)CC(C)C ZINC000649285379 451958791 /nfs/dbraw/zinc/95/87/91/451958791.db2.gz UIFQJHDSFFYUQY-HOTGVXAUSA-N 2 0 340.512 1.199 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000644732087 451959022 /nfs/dbraw/zinc/95/90/22/451959022.db2.gz FAAMQHIXJWXASJ-UFYCRDLUSA-N 2 0 329.488 1.913 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC[NH2+]1 ZINC000649287920 451962301 /nfs/dbraw/zinc/96/23/01/451962301.db2.gz NPGPKBCPTFZOCY-IBGZPJMESA-N 2 0 349.450 1.675 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)[NH+]1CCC(C)CC1 ZINC000649292417 451967703 /nfs/dbraw/zinc/96/77/03/451967703.db2.gz FRLKHANRDABYBK-NVXWUHKLSA-N 2 0 348.495 1.299 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305098 451982083 /nfs/dbraw/zinc/98/20/83/451982083.db2.gz CVMICXFENDASER-UYAOXDASSA-N 2 0 345.487 1.783 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2C[NH2+]CCOC2)cc1Cl ZINC000649305930 451983960 /nfs/dbraw/zinc/98/39/60/451983960.db2.gz MFPBIKPNHUTQOV-GFCCVEGCSA-N 2 0 341.839 1.455 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000649328874 452009893 /nfs/dbraw/zinc/00/98/93/452009893.db2.gz OPQJHBHZOYKLGT-SFHVURJKSA-N 2 0 335.448 1.724 20 0 EDADRP CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000637669889 452011870 /nfs/dbraw/zinc/01/18/70/452011870.db2.gz SKLOFVIYRZUPJS-KRWDZBQOSA-N 2 0 346.479 1.850 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000649332856 452014267 /nfs/dbraw/zinc/01/42/67/452014267.db2.gz NMNYAVAZYWPCAG-AQDPXUSMSA-N 2 0 342.487 1.331 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639686965 452022926 /nfs/dbraw/zinc/02/29/26/452022926.db2.gz QRETUBUVZDXXIR-LJQANCHMSA-N 2 0 348.535 1.632 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2noc3ccccc23)CC1 ZINC000653577529 452023937 /nfs/dbraw/zinc/02/39/37/452023937.db2.gz REDAPJJSMIAZID-UHFFFAOYSA-N 2 0 344.459 1.760 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649343644 452024596 /nfs/dbraw/zinc/02/45/96/452024596.db2.gz MGJJOPPSYMTNSL-WDYCEAGBSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)COC2CCC([NH3+])CC2)c2ccccc2O1 ZINC000649347288 452029917 /nfs/dbraw/zinc/02/99/17/452029917.db2.gz OTNBHAGTFPGTAV-GPANFISMSA-N 2 0 347.459 1.629 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)nc2)CC1 ZINC000649353562 452037890 /nfs/dbraw/zinc/03/78/90/452037890.db2.gz IXVOHIVXPMPENF-QLPKVWCKSA-N 2 0 329.448 1.016 20 0 EDADRP CC[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000649358926 452040593 /nfs/dbraw/zinc/04/05/93/452040593.db2.gz IYEZRUDNCAJUAN-PKOBYXMFSA-N 2 0 344.503 1.785 20 0 EDADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649382202 452055828 /nfs/dbraw/zinc/05/58/28/452055828.db2.gz VREDZNRJOSKOBK-UXHICEINSA-N 2 0 331.504 1.956 20 0 EDADRP [NH3+]C1(CC(=O)NCC2CC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000637804892 452092643 /nfs/dbraw/zinc/09/26/43/452092643.db2.gz IKYBQUFQFNAIKY-UHFFFAOYSA-N 2 0 344.503 1.486 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)CC1 ZINC000639757556 452096641 /nfs/dbraw/zinc/09/66/41/452096641.db2.gz HVFPFQYZKZKGDR-HNNXBMFYSA-N 2 0 329.510 1.076 20 0 EDADRP Cc1cc(=O)n2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)sc2n1 ZINC000639759708 452098250 /nfs/dbraw/zinc/09/82/50/452098250.db2.gz HIRRVTGFCMYJPJ-UHFFFAOYSA-N 2 0 333.461 1.377 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000637821932 452100597 /nfs/dbraw/zinc/10/05/97/452100597.db2.gz FZUQATGGYNMKOY-KRWDZBQOSA-N 2 0 330.476 1.177 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CO1 ZINC000647181852 452110610 /nfs/dbraw/zinc/11/06/10/452110610.db2.gz VYYOWULBZVIJAK-JLSDUUJJSA-N 2 0 331.460 1.651 20 0 EDADRP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)[C@@H]1CC[NH2+]C1 ZINC000637837543 452110650 /nfs/dbraw/zinc/11/06/50/452110650.db2.gz IKBYTQBPUYAJII-HBFSDRIKSA-N 2 0 343.471 1.345 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637855564 452115950 /nfs/dbraw/zinc/11/59/50/452115950.db2.gz QLMVONVZZZOSIG-HNAYVOBHSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218365 452129639 /nfs/dbraw/zinc/12/96/39/452129639.db2.gz JAQRCGIQPPNXMV-KBXCAEBGSA-N 2 0 331.460 1.651 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645108435 452154851 /nfs/dbraw/zinc/15/48/51/452154851.db2.gz XWTCIWAWDPLRJZ-USXIJHARSA-N 2 0 331.464 1.412 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCCO1 ZINC000653878434 452158416 /nfs/dbraw/zinc/15/84/16/452158416.db2.gz ZWHBFTDCRMYNRF-SJORKVTESA-N 2 0 325.497 1.913 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221290 452217542 /nfs/dbraw/zinc/21/75/42/452217542.db2.gz LQWMHIGEPZNAKU-MDZRGWNJSA-N 2 0 344.459 1.263 20 0 EDADRP O=c1[nH]c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@H]4O)CC3)cc2[nH]1 ZINC000641738191 452228389 /nfs/dbraw/zinc/22/83/89/452228389.db2.gz BOKCIANKWTVLGX-DLBZAZTESA-N 2 0 330.432 1.736 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000643454586 452231277 /nfs/dbraw/zinc/23/12/77/452231277.db2.gz LHFUHGMHQJJJRB-CJNGLKHVSA-N 2 0 325.478 1.214 20 0 EDADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)nc1 ZINC000643466985 452236565 /nfs/dbraw/zinc/23/65/65/452236565.db2.gz FHGLXMWBAREWMR-RRFJBIMHSA-N 2 0 325.840 1.861 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000643488905 452257070 /nfs/dbraw/zinc/25/70/70/452257070.db2.gz KVNMTGJDJXAUIG-WCXIOVBPSA-N 2 0 343.537 1.701 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1(C)C ZINC000657459136 452260492 /nfs/dbraw/zinc/26/04/92/452260492.db2.gz URNQDFAAHXYLIB-LJQANCHMSA-N 2 0 347.503 1.970 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)C[C@@H]21 ZINC000641786319 452261014 /nfs/dbraw/zinc/26/10/14/452261014.db2.gz MALJFDMRGDWOTA-BZZMCLGOSA-N 2 0 328.460 1.642 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000643495422 452263924 /nfs/dbraw/zinc/26/39/24/452263924.db2.gz IATOZDFKSBTCLT-HNAYVOBHSA-N 2 0 344.503 1.472 20 0 EDADRP CS(=O)(=O)N1CCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657464142 452264071 /nfs/dbraw/zinc/26/40/71/452264071.db2.gz WBGYGHLGEBMKHB-HNNXBMFYSA-N 2 0 349.460 1.171 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000641797150 452273057 /nfs/dbraw/zinc/27/30/57/452273057.db2.gz VZVFMELAAKHQLN-LBPRGKRZSA-N 2 0 341.358 1.295 20 0 EDADRP FC1(F)Oc2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2O1 ZINC000641799062 452275689 /nfs/dbraw/zinc/27/56/89/452275689.db2.gz IZBYKUGTERORSN-CYBMUJFWSA-N 2 0 325.359 1.488 20 0 EDADRP C[C@H](CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000663585176 452310177 /nfs/dbraw/zinc/31/01/77/452310177.db2.gz ZUGUVCVCBGXJKM-OAHLLOKOSA-N 2 0 336.480 1.766 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000638051011 452322557 /nfs/dbraw/zinc/32/25/57/452322557.db2.gz AXSQLFQQAIPRPA-GRDNDAEWSA-N 2 0 337.489 1.768 20 0 EDADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514449 452322671 /nfs/dbraw/zinc/32/26/71/452322671.db2.gz QSJLETFLWUIBAV-UONOGXRCSA-N 2 0 329.366 1.904 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659467233 452323823 /nfs/dbraw/zinc/32/38/23/452323823.db2.gz VIWXACCTPFTIGM-DDBAPUKQSA-N 2 0 348.466 1.978 20 0 EDADRP CC(C)CO[C@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759638 452325896 /nfs/dbraw/zinc/32/58/96/452325896.db2.gz LPHSQQAELYLUSK-IRXDYDNUSA-N 2 0 342.528 1.715 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638053056 452331011 /nfs/dbraw/zinc/33/10/11/452331011.db2.gz GAEHFHNOKKARQS-LJQANCHMSA-N 2 0 333.476 1.900 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000641872440 452335516 /nfs/dbraw/zinc/33/55/16/452335516.db2.gz YFCNISABHWJZKD-FGTMMUONSA-N 2 0 328.460 1.622 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)NC/C=C\C[NH3+] ZINC000641870377 452335955 /nfs/dbraw/zinc/33/59/55/452335955.db2.gz URGCIRWSKKCXRG-IHWYPQMZSA-N 2 0 331.464 1.844 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000652147062 452339497 /nfs/dbraw/zinc/33/94/97/452339497.db2.gz GLHXJDXSJPPHTO-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000652154757 452347370 /nfs/dbraw/zinc/34/73/70/452347370.db2.gz OANOAYSVOPCWOZ-CQSZACIVSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)c1 ZINC000663615087 452347744 /nfs/dbraw/zinc/34/77/44/452347744.db2.gz DNHBKNJMNUGBPE-GOSISDBHSA-N 2 0 332.448 1.335 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000638063814 452360246 /nfs/dbraw/zinc/36/02/46/452360246.db2.gz PZSGHPYKWAUTBJ-PKOBYXMFSA-N 2 0 349.450 1.673 20 0 EDADRP CCc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657594458 452360513 /nfs/dbraw/zinc/36/05/13/452360513.db2.gz AMVCFSTVBQSFGG-GOSISDBHSA-N 2 0 326.444 1.895 20 0 EDADRP CCc1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000657594460 452361221 /nfs/dbraw/zinc/36/12/21/452361221.db2.gz AMVCFSTVBQSFGG-SFHVURJKSA-N 2 0 326.444 1.895 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659506222 452372028 /nfs/dbraw/zinc/37/20/28/452372028.db2.gz MNIJMHGKPNDRMY-GOSISDBHSA-N 2 0 346.475 1.195 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659516796 452379442 /nfs/dbraw/zinc/37/94/42/452379442.db2.gz KZBRMKIYZSXZKS-UHOFOFEASA-N 2 0 340.418 1.693 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638071973 452380398 /nfs/dbraw/zinc/38/03/98/452380398.db2.gz JFBODRHDKURKQR-DZOHQFGASA-N 2 0 331.460 1.662 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659524055 452387346 /nfs/dbraw/zinc/38/73/46/452387346.db2.gz ZAEHBUFRQLQBBW-UHFFFAOYSA-N 2 0 340.512 1.694 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N[C@H]1CCC[NH2+]CC1 ZINC000659534362 452394293 /nfs/dbraw/zinc/39/42/93/452394293.db2.gz CBRUVZBXQAIYOM-ULQDDVLXSA-N 2 0 334.439 1.713 20 0 EDADRP C[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C[NH2+]CCO1 ZINC000638079731 452396221 /nfs/dbraw/zinc/39/62/21/452396221.db2.gz HGCCGPWQWSZWHU-PKOBYXMFSA-N 2 0 331.460 1.536 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000659539228 452397776 /nfs/dbraw/zinc/39/77/76/452397776.db2.gz CENIZHDTOKVEFI-KZNAEPCWSA-N 2 0 330.476 1.949 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@H]1CCC[NH2+]C1 ZINC000652202453 452401042 /nfs/dbraw/zinc/40/10/42/452401042.db2.gz KGUFVVVCSKSHMY-WOYTXXSLSA-N 2 0 338.496 1.302 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000652204987 452403267 /nfs/dbraw/zinc/40/32/67/452403267.db2.gz JGUJAMMFOKNDGV-MRXNPFEDSA-N 2 0 326.485 1.304 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000652204986 452403376 /nfs/dbraw/zinc/40/33/76/452403376.db2.gz JGUJAMMFOKNDGV-INIZCTEOSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380800 452431340 /nfs/dbraw/zinc/43/13/40/452431340.db2.gz FKEFOFWJMIJYFK-JONQDZQNSA-N 2 0 338.496 1.268 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000659577604 452431761 /nfs/dbraw/zinc/43/17/61/452431761.db2.gz UUTSTFXHFWZFOW-GGPKGHCWSA-N 2 0 342.487 1.917 20 0 EDADRP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000659577383 452432122 /nfs/dbraw/zinc/43/21/22/452432122.db2.gz RNVJPADBNCCMIN-DZOHQFGASA-N 2 0 330.476 1.758 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659583252 452438810 /nfs/dbraw/zinc/43/88/10/452438810.db2.gz ZXLHVGXOZQECOD-WVLMQXSCSA-N 2 0 332.423 1.322 20 0 EDADRP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647709574 452443218 /nfs/dbraw/zinc/44/32/18/452443218.db2.gz YVRPBXVTZXYIAP-KURKYZTESA-N 2 0 335.492 1.451 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000659588297 452444278 /nfs/dbraw/zinc/44/42/78/452444278.db2.gz LKAVXBDAOJZPEP-ROUUACIJSA-N 2 0 346.475 1.521 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274875 452462374 /nfs/dbraw/zinc/46/23/74/452462374.db2.gz XTACEMKPDXFKBF-RDJZCZTQSA-N 2 0 334.439 1.910 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CC[C@H]21 ZINC000652276213 452463917 /nfs/dbraw/zinc/46/39/17/452463917.db2.gz MDVNIRNOUSQHPN-NVXWUHKLSA-N 2 0 334.439 1.910 20 0 EDADRP CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659616504 452475305 /nfs/dbraw/zinc/47/53/05/452475305.db2.gz LERMWIZCUFVDOL-TVRKMHQQSA-N 2 0 328.460 1.654 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000655680473 452505700 /nfs/dbraw/zinc/50/57/00/452505700.db2.gz MHYPEQNWWQGONN-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652345636 452519560 /nfs/dbraw/zinc/51/95/60/452519560.db2.gz HGVIMABOSPWPKF-XYJFISCASA-N 2 0 331.460 1.868 20 0 EDADRP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647786031 452520570 /nfs/dbraw/zinc/52/05/70/452520570.db2.gz HDZRYECCRKXKAR-BFIPOCKSSA-N 2 0 340.471 1.803 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)COc1ccc2c(c1)OCO2 ZINC000647789832 452523091 /nfs/dbraw/zinc/52/30/91/452523091.db2.gz MEPNUAYFUJJQRE-LXTVHRRPSA-N 2 0 334.416 1.133 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347333 452523885 /nfs/dbraw/zinc/52/38/85/452523885.db2.gz YWNMAXJFOBYNOO-VIQHNZTISA-N 2 0 325.497 1.898 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)ccn2)CC1 ZINC000647790481 452524636 /nfs/dbraw/zinc/52/46/36/452524636.db2.gz ZOQDOAHYSMPOLA-OKZBNKHCSA-N 3 0 329.492 1.311 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCn2nccc21)c1ccccc1 ZINC000640220697 452527010 /nfs/dbraw/zinc/52/70/10/452527010.db2.gz NLTHHPCDTSCHDB-WMZOPIPTSA-N 2 0 341.459 1.727 20 0 EDADRP C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CC[NH3+] ZINC000652356062 452533669 /nfs/dbraw/zinc/53/36/69/452533669.db2.gz RDZWEKHHPUHFGL-NEWSRXKRSA-N 2 0 346.519 1.855 20 0 EDADRP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000655741796 452550276 /nfs/dbraw/zinc/55/02/76/452550276.db2.gz LZXFDGOGEWXVGV-UHFFFAOYSA-N 2 0 332.423 1.866 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659680231 452552627 /nfs/dbraw/zinc/55/26/27/452552627.db2.gz CCRLNTGNUDRQMX-UHFFFAOYSA-N 2 0 348.491 1.340 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655757426 452562399 /nfs/dbraw/zinc/56/23/99/452562399.db2.gz RYQGNDKGPCJIQA-HKUYNNGSSA-N 2 0 338.540 1.245 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000666116834 452607401 /nfs/dbraw/zinc/60/74/01/452607401.db2.gz DWDCZFASTYMEIA-MRXNPFEDSA-N 2 0 345.409 1.446 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657939414 452624711 /nfs/dbraw/zinc/62/47/11/452624711.db2.gz XNCFAJAECMJBHR-KRWDZBQOSA-N 2 0 343.475 1.974 20 0 EDADRP CCN1C[C@@H](C)N(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@H]1C ZINC000652456959 452649345 /nfs/dbraw/zinc/64/93/45/452649345.db2.gz TZBINLZEWDYKQN-HZPDHXFCSA-N 2 0 340.512 1.022 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655919996 452680702 /nfs/dbraw/zinc/68/07/02/452680702.db2.gz RNEZTPBZAFZRIA-KGLIPLIRSA-N 2 0 344.381 1.792 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971192 452715246 /nfs/dbraw/zinc/71/52/46/452715246.db2.gz YAWHUVLZFTWRAB-OALUTQOASA-N 3 0 336.568 1.924 20 0 EDADRP Cc1cc(NC(=O)NCCC2CC[NH2+]CC2)n(C2CC[NH+](C)CC2)n1 ZINC000652582628 452755570 /nfs/dbraw/zinc/75/55/70/452755570.db2.gz XMRKZISXNYKOST-UHFFFAOYSA-N 2 0 348.495 1.969 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccnn1-c1ccccn1)CC[NH+](C)C ZINC000648036338 452773027 /nfs/dbraw/zinc/77/30/27/452773027.db2.gz FUXXRJQDNKWDKA-UHFFFAOYSA-N 2 0 330.480 1.583 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786963 452787797 /nfs/dbraw/zinc/78/77/97/452787797.db2.gz NZANNERZHGNFGD-OALUTQOASA-N 2 0 345.487 1.783 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)c1 ZINC000652645026 452801626 /nfs/dbraw/zinc/80/16/26/452801626.db2.gz OMCCPTPDAZQFOK-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)COC3(C)C[NH2+]C3)CC2)cc1 ZINC000648149633 452860423 /nfs/dbraw/zinc/86/04/23/452860423.db2.gz XIIQZCKDJDZDPA-UHFFFAOYSA-N 2 0 347.459 1.108 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000650611443 452881722 /nfs/dbraw/zinc/88/17/22/452881722.db2.gz MAKQATAVMNWMNY-UHFFFAOYSA-N 2 0 341.544 1.290 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000648175935 452887146 /nfs/dbraw/zinc/88/71/46/452887146.db2.gz GMYPWRYTDBJOPV-LJIGWXMPSA-N 2 0 333.480 1.294 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC[N@@H+]1C ZINC000648177669 452890314 /nfs/dbraw/zinc/89/03/14/452890314.db2.gz MTXLJSLYPPVAOB-HZPDHXFCSA-N 2 0 346.475 1.249 20 0 EDADRP C[C@@H]1CN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)CO1 ZINC000664234108 452909237 /nfs/dbraw/zinc/90/92/37/452909237.db2.gz QLTWXDJIEOFQRZ-BFZKSOEOSA-N 2 0 338.496 1.410 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977530 452961874 /nfs/dbraw/zinc/96/18/74/452961874.db2.gz FMKUEVUGMFROGI-SZMVWBNQSA-N 2 0 336.524 1.569 20 0 EDADRP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248487 452972879 /nfs/dbraw/zinc/97/28/79/452972879.db2.gz DCDNYMDOHAJDMB-WMLDXEAASA-N 2 0 327.432 1.781 20 0 EDADRP O=C(Nc1ccc(O)cc1)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662258435 452988337 /nfs/dbraw/zinc/98/83/37/452988337.db2.gz UUDQDVIDTQLHFY-KRWDZBQOSA-N 2 0 345.443 1.564 20 0 EDADRP Cc1cccc(NC(=O)[C@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662261180 452990280 /nfs/dbraw/zinc/99/02/80/452990280.db2.gz TXXIXJKQBATIEX-JKSUJKDBSA-N 2 0 344.459 1.562 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NCCOc1ccccc1 ZINC000662296447 453018175 /nfs/dbraw/zinc/01/81/75/453018175.db2.gz KLMJRIVGGQAQSP-GOSISDBHSA-N 2 0 345.487 1.893 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297991 453020642 /nfs/dbraw/zinc/02/06/42/453020642.db2.gz SVQNWLGKKNBSBG-RDJZCZTQSA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000666654974 453040694 /nfs/dbraw/zinc/04/06/94/453040694.db2.gz WCXMNRKKSQPHJK-RBUKOAKNSA-N 2 0 345.487 1.517 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662337580 453055844 /nfs/dbraw/zinc/05/58/44/453055844.db2.gz LPOMQFOCJBZRHK-KRWDZBQOSA-N 2 0 340.475 1.902 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686185 453063831 /nfs/dbraw/zinc/06/38/31/453063831.db2.gz GCJGMQDOOWOLDT-GJZGRUSLSA-N 2 0 345.443 1.561 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000646083672 453094800 /nfs/dbraw/zinc/09/48/00/453094800.db2.gz XBXUXPOMSYCFMA-ZWKOTPCHSA-N 2 0 337.508 1.964 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662387388 453096974 /nfs/dbraw/zinc/09/69/74/453096974.db2.gz UAMHKFYCXGQQGO-LJQANCHMSA-N 2 0 343.471 1.792 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662422291 453131848 /nfs/dbraw/zinc/13/18/48/453131848.db2.gz UBDLZUZXYXSRNH-INIZCTEOSA-N 2 0 348.495 1.635 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000662458242 453167282 /nfs/dbraw/zinc/16/72/82/453167282.db2.gz RWYBHDJWESRCRL-AWEZNQCLSA-N 2 0 348.516 1.292 20 0 EDADRP CCN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000664550025 453187860 /nfs/dbraw/zinc/18/78/60/453187860.db2.gz BEYWIOUCBRXRRI-MRXNPFEDSA-N 2 0 349.479 1.258 20 0 EDADRP [NH3+][C@H](Cc1cn(CCC[NH+]2CCSCC2)nn1)c1ccccc1 ZINC000656449910 453192546 /nfs/dbraw/zinc/19/25/46/453192546.db2.gz IZEMUFGHPAYFQM-QGZVFWFLSA-N 2 0 331.489 1.960 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662525303 453245313 /nfs/dbraw/zinc/24/53/13/453245313.db2.gz ZKHNLRGUVXZQMR-HOTGVXAUSA-N 2 0 346.475 1.993 20 0 EDADRP [NH3+]CCOCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000646249071 453254268 /nfs/dbraw/zinc/25/42/68/453254268.db2.gz HSDGPBMWAQYZSB-ZWKOTPCHSA-N 2 0 331.460 1.475 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000653113901 453300752 /nfs/dbraw/zinc/30/07/52/453300752.db2.gz RHKYQTCRGZYKJH-LJQANCHMSA-N 2 0 346.519 1.958 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H](N)CC[NH+](C)C)c2)CC1 ZINC000653113845 453302021 /nfs/dbraw/zinc/30/20/21/453302021.db2.gz PJKNZZMIRIOJTC-LJQANCHMSA-N 2 0 346.519 1.814 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000662577065 453303035 /nfs/dbraw/zinc/30/30/35/453303035.db2.gz ZBACZRMDRMWNDW-UHOFOFEASA-N 2 0 343.406 1.193 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000664719454 453346686 /nfs/dbraw/zinc/34/66/86/453346686.db2.gz SQEHQSHDONYXMM-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000662675314 453392342 /nfs/dbraw/zinc/39/23/42/453392342.db2.gz KYOGDOHDMUEGTH-USJZOSNVSA-N 2 0 331.460 1.649 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000667095345 453401276 /nfs/dbraw/zinc/40/12/76/453401276.db2.gz BGAYGSNJFZWZME-MRXNPFEDSA-N 2 0 330.432 1.217 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662684189 453404285 /nfs/dbraw/zinc/40/42/85/453404285.db2.gz BPGIOFMKTGAWPB-CZUORRHYSA-N 2 0 341.415 1.400 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000662692578 453412069 /nfs/dbraw/zinc/41/20/69/453412069.db2.gz PSSYBWQUNFXZAN-GUDVDZBRSA-N 2 0 345.487 1.940 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000662699388 453419968 /nfs/dbraw/zinc/41/99/68/453419968.db2.gz QDVMLOISKKZFLA-KBMXLJTQSA-N 2 0 337.489 1.440 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cn[nH]c2[C@@H]2CC[NH2+]C2)cc1 ZINC000662705019 453427864 /nfs/dbraw/zinc/42/78/64/453427864.db2.gz NAKSFJWZPCFNKJ-CQSZACIVSA-N 2 0 327.432 1.843 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000662709485 453431578 /nfs/dbraw/zinc/43/15/78/453431578.db2.gz RXXRUMMLGVXLTI-BMGDILEWSA-N 2 0 331.460 1.692 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662710756 453433787 /nfs/dbraw/zinc/43/37/87/453433787.db2.gz YYTFUEQANSLDSJ-FUHWJXTLSA-N 2 0 329.444 1.243 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000662730625 453456600 /nfs/dbraw/zinc/45/66/00/453456600.db2.gz LMLZGWFRXMWILN-BMSWRWNDSA-N 2 0 343.471 1.662 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CCN(c3nccn3C)CC2)cc1 ZINC000646555106 453466389 /nfs/dbraw/zinc/46/63/89/453466389.db2.gz KVMDQHFQLRKLEP-CYBMUJFWSA-N 2 0 327.432 1.839 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000662749710 453479524 /nfs/dbraw/zinc/47/95/24/453479524.db2.gz ORODHWMOFQHQBA-BZPMIXESSA-N 2 0 344.228 1.521 20 0 EDADRP O=C(N1CCN(c2cc[nH+]cc2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662754457 453489924 /nfs/dbraw/zinc/48/99/24/453489924.db2.gz OEPUWPTYIUKMJS-CQSZACIVSA-N 2 0 328.338 1.272 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3[NH2+]CCC3(C)C)cn2)CC1 ZINC000662756611 453494203 /nfs/dbraw/zinc/49/42/03/453494203.db2.gz JCXAVJNZJOZNFL-KRWDZBQOSA-N 2 0 345.491 1.228 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CC3([NH3+])CC3)CC2)c1 ZINC000662757754 453496130 /nfs/dbraw/zinc/49/61/30/453496130.db2.gz MRVMYCWSFXLVRW-UHFFFAOYSA-N 2 0 330.476 1.505 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646603069 453507320 /nfs/dbraw/zinc/50/73/20/453507320.db2.gz HHYLZBVVTYTDET-GDBMZVCRSA-N 2 0 343.431 1.246 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000662784542 453517901 /nfs/dbraw/zinc/51/79/01/453517901.db2.gz LAXJJKWMSQCJQC-BZUAXINKSA-N 2 0 346.479 1.054 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793977 453528794 /nfs/dbraw/zinc/52/87/94/453528794.db2.gz LWSKEARBVVVWDT-ZMSDIMECSA-N 2 0 346.479 1.149 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662826034 453553160 /nfs/dbraw/zinc/55/31/60/453553160.db2.gz QWZUTXBAUYGKMX-NXHRZFHOSA-N 2 0 337.508 1.853 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000665055803 453557962 /nfs/dbraw/zinc/55/79/62/453557962.db2.gz UHPBSMPGHPBXGZ-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662833838 453561186 /nfs/dbraw/zinc/56/11/86/453561186.db2.gz AHZSTDFHIWSPJZ-INMHGKMJSA-N 2 0 346.479 1.339 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000667328966 453562023 /nfs/dbraw/zinc/56/20/23/453562023.db2.gz XWFAYGXEOOMTEQ-SFHVURJKSA-N 2 0 328.460 1.822 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC3([NH3+])CCCC3)cc2)CC1 ZINC000662863860 453577458 /nfs/dbraw/zinc/57/74/58/453577458.db2.gz YAWDKDFFURCTNO-UHFFFAOYSA-N 2 0 330.476 1.435 20 0 EDADRP [NH3+]CCc1nc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cs1 ZINC000662867757 453579973 /nfs/dbraw/zinc/57/99/73/453579973.db2.gz OPDXXTIHFMTFMH-ZIAGYGMSSA-N 2 0 330.457 1.520 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000665118981 453581139 /nfs/dbraw/zinc/58/11/39/453581139.db2.gz KCUDQHBBROZLJK-IRXDYDNUSA-N 3 0 341.544 1.290 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659034353 453590494 /nfs/dbraw/zinc/59/04/94/453590494.db2.gz LYAWKQCTTGGVJH-ZWKOTPCHSA-N 2 0 344.459 1.953 20 0 EDADRP [NH3+][C@H](CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)CC1CCCCC1 ZINC000662908403 453597483 /nfs/dbraw/zinc/59/74/83/453597483.db2.gz UHCPRHGSGVJLAB-MSOLQXFVSA-N 2 0 336.524 1.570 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000660840486 453600813 /nfs/dbraw/zinc/60/08/13/453600813.db2.gz XZTFNUJUOCOKPJ-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855212 453611644 /nfs/dbraw/zinc/61/16/44/453611644.db2.gz LOIPTKZPTCMDMH-RDJZCZTQSA-N 2 0 338.496 1.128 20 0 EDADRP COc1ccc(N2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])CC2=O)cc1 ZINC000665240292 453620048 /nfs/dbraw/zinc/62/00/48/453620048.db2.gz HKHFTZFCPHELBA-UWWPHRKUSA-N 2 0 333.432 1.142 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659096812 453629230 /nfs/dbraw/zinc/62/92/30/453629230.db2.gz WOSMTERTNTWYMW-HNNXBMFYSA-N 2 0 332.448 1.334 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284880 453636035 /nfs/dbraw/zinc/63/60/35/453636035.db2.gz XLQUXASYOULEQT-ROUUACIJSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000665365527 453669679 /nfs/dbraw/zinc/66/96/79/453669679.db2.gz GHVFBWGXCVIDPR-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000665458718 453698796 /nfs/dbraw/zinc/69/87/96/453698796.db2.gz OKCFOIDGFAETRZ-UHFFFAOYSA-N 2 0 326.485 1.080 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000659353441 453725266 /nfs/dbraw/zinc/72/52/66/453725266.db2.gz DDDDGACUMBNMQW-ROUUACIJSA-N 2 0 340.427 1.424 20 0 EDADRP O=C(NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000659374599 453732640 /nfs/dbraw/zinc/73/26/40/453732640.db2.gz PGFLPNDXRAUCQJ-QGZVFWFLSA-N 2 0 342.487 1.457 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000661193917 453753610 /nfs/dbraw/zinc/75/36/10/453753610.db2.gz VEMCBMRVXQTCOF-QAPCUYQASA-N 2 0 330.476 1.852 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657309921 453763965 /nfs/dbraw/zinc/76/39/65/453763965.db2.gz JWHPGBHEQTUAJV-INIZCTEOSA-N 3 0 328.464 1.383 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)NCC1CC[NH+](CC2CC2)CC1 ZINC000661238603 453770373 /nfs/dbraw/zinc/77/03/73/453770373.db2.gz WRXDBRMRYFMNLB-UHFFFAOYSA-N 2 0 338.496 1.130 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000657389200 453779423 /nfs/dbraw/zinc/77/94/23/453779423.db2.gz SWOVHSJNVGQYLD-UHFFFAOYSA-N 2 0 347.507 1.546 20 0 EDADRP CC[C@@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CO1 ZINC000657416842 453783766 /nfs/dbraw/zinc/78/37/66/453783766.db2.gz XTACPZDHOJUWET-KSZLIROESA-N 2 0 333.476 1.433 20 0 EDADRP C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000663444631 453800828 /nfs/dbraw/zinc/80/08/28/453800828.db2.gz CQVJJRIEQVJYCM-GOSISDBHSA-N 2 0 346.475 1.147 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000661403143 453812217 /nfs/dbraw/zinc/81/22/17/453812217.db2.gz ZJSULRQHNOMAHG-INIZCTEOSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000671307928 486651133 /nfs/dbraw/zinc/65/11/33/486651133.db2.gz ZDFUYPBYBPJOFV-DLBZAZTESA-N 2 0 335.492 1.514 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CCOCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000384940341 486687767 /nfs/dbraw/zinc/68/77/67/486687767.db2.gz CKEAFYNRJALPBS-MOPGFXCFSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000679994264 486691763 /nfs/dbraw/zinc/69/17/63/486691763.db2.gz QCHZCHIXTMWMEX-GOEBONIOSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000566512837 486711793 /nfs/dbraw/zinc/71/17/93/486711793.db2.gz KLKQFRZSTGXICG-INMHGKMJSA-N 2 0 330.476 1.804 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]Cc1scnc1C1CC1)N1CC[NH2+]CC1 ZINC000414966086 486734843 /nfs/dbraw/zinc/73/48/43/486734843.db2.gz FZNJYAIGPBGRKY-GFCCVEGCSA-N 2 0 334.411 1.946 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C(C)(C)CO)CC1 ZINC000680329946 486751968 /nfs/dbraw/zinc/75/19/68/486751968.db2.gz WHEMUKXTRNDCSD-UHFFFAOYSA-N 2 0 329.448 1.464 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000680471098 486783757 /nfs/dbraw/zinc/78/37/57/486783757.db2.gz UWGHJOXMMFERLU-CVEARBPZSA-N 2 0 329.510 1.265 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734272 486810129 /nfs/dbraw/zinc/81/01/29/486810129.db2.gz JQLKMSNHIAKUCX-DLBZAZTESA-N 2 0 330.476 1.655 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC[NH2+]1 ZINC000667520566 486820357 /nfs/dbraw/zinc/82/03/57/486820357.db2.gz OEEZNASBNSDOGX-QGZVFWFLSA-N 2 0 346.475 1.186 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000667537215 486830146 /nfs/dbraw/zinc/83/01/46/486830146.db2.gz TYMGHJGGCGTFCT-WBVHZDCISA-N 2 0 344.459 1.206 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667746404 486946276 /nfs/dbraw/zinc/94/62/76/486946276.db2.gz WFDDSKGKLANYSQ-UHFFFAOYSA-N 3 0 333.480 1.289 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1 ZINC000667810285 486976583 /nfs/dbraw/zinc/97/65/83/486976583.db2.gz QXRUHXVJJZXSHY-UHFFFAOYSA-N 2 0 349.479 1.172 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000667888673 487008742 /nfs/dbraw/zinc/00/87/42/487008742.db2.gz ALYKXCIVHOMIQD-DLBZAZTESA-N 2 0 337.508 1.770 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668162745 487125754 /nfs/dbraw/zinc/12/57/54/487125754.db2.gz GYDAFFOBEHDHQU-FQEVSTJZSA-N 2 0 347.503 1.924 20 0 EDADRP C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044886 487221003 /nfs/dbraw/zinc/22/10/03/487221003.db2.gz RVZMCIPDWLKINU-QAPCUYQASA-N 2 0 331.460 1.775 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2CCC(OC)CC2)o1 ZINC000674310941 487233560 /nfs/dbraw/zinc/23/35/60/487233560.db2.gz VRFHCSHXXJVREB-UHFFFAOYSA-N 2 0 337.464 1.962 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN([C@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000678350128 487294467 /nfs/dbraw/zinc/29/44/67/487294467.db2.gz SZILTSUWBRIZEJ-RTWAWAEBSA-N 2 0 342.531 1.973 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)cn1 ZINC000674745382 487308026 /nfs/dbraw/zinc/30/80/26/487308026.db2.gz PBQLIIAMAFXQIS-OAHLLOKOSA-N 2 0 340.497 1.004 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000678635489 487346310 /nfs/dbraw/zinc/34/63/10/487346310.db2.gz DJIJYYHBRPFOMH-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@@H]2C(N)=O)cc1 ZINC000682556143 487388268 /nfs/dbraw/zinc/38/82/68/487388268.db2.gz DVWQGFKPDWKSPK-CGTJXYLNSA-N 2 0 331.460 1.713 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)[C@H]1CCCCO1 ZINC000675205853 487389256 /nfs/dbraw/zinc/38/92/56/487389256.db2.gz SYERVIYZCFFZAG-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000682999578 487440668 /nfs/dbraw/zinc/44/06/68/487440668.db2.gz NJKJVXSZVGCTOO-KRWDZBQOSA-N 2 0 325.416 1.772 20 0 EDADRP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1=CC[N@H+](C)CC1 ZINC000679710628 487460944 /nfs/dbraw/zinc/46/09/44/487460944.db2.gz MCVSVJNBBPXXGA-OAHLLOKOSA-N 2 0 329.448 1.564 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000417874260 485478194 /nfs/dbraw/zinc/47/81/94/485478194.db2.gz MVHJJJPNHCTFQB-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000669552596 485546442 /nfs/dbraw/zinc/54/64/42/485546442.db2.gz CHBSHYLOFMBRKN-INMHGKMJSA-N 2 0 334.464 1.265 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669552611 485547298 /nfs/dbraw/zinc/54/72/98/485547298.db2.gz DXYNVEKQZRDFMP-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669556094 485558973 /nfs/dbraw/zinc/55/89/73/485558973.db2.gz FHVXRHSRQYOLJL-ROUUACIJSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669557143 485560071 /nfs/dbraw/zinc/56/00/71/485560071.db2.gz VIXIHICVFISPIX-VDHUWJSZSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669561059 485569247 /nfs/dbraw/zinc/56/92/47/485569247.db2.gz AYGYQRVXPSPKLJ-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000669600538 485676671 /nfs/dbraw/zinc/67/66/71/485676671.db2.gz WXYQJSOEUWRLHR-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1 ZINC000673778506 485722355 /nfs/dbraw/zinc/72/23/55/485722355.db2.gz BNPIVDFKIIDVHQ-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000669139237 485730450 /nfs/dbraw/zinc/73/04/50/485730450.db2.gz SLBSROZJVDWGCB-SJLPKXTDSA-N 2 0 346.475 1.520 20 0 EDADRP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCNC1=O ZINC000669621367 485837012 /nfs/dbraw/zinc/83/70/12/485837012.db2.gz IVGARYSWTUPESJ-SFHVURJKSA-N 2 0 331.460 1.872 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000418654550 485903628 /nfs/dbraw/zinc/90/36/28/485903628.db2.gz PURIKAUZECBGDI-SJLPKXTDSA-N 2 0 348.491 1.395 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC)CCOCC2)[C@@H](C)C1 ZINC000678601657 486044809 /nfs/dbraw/zinc/04/48/09/486044809.db2.gz BPVSRIASYDOPQC-DLBZAZTESA-N 2 0 328.497 1.909 20 0 EDADRP COc1cccc(CN[C@H]2CCCN(Cc3nccn3C)C2=O)c1F ZINC000669684420 486068484 /nfs/dbraw/zinc/06/84/84/486068484.db2.gz UYJXQCITOGCKIE-AWEZNQCLSA-N 2 0 346.406 1.849 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687447 486165811 /nfs/dbraw/zinc/16/58/11/486165811.db2.gz OWVZIKYPNTVKFT-ZBFHGGJFSA-N 2 0 334.468 1.535 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638936846 486195941 /nfs/dbraw/zinc/19/59/41/486195941.db2.gz SCNCIVFJVIZMOL-IRXDYDNUSA-N 2 0 330.476 1.537 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669458888 486214516 /nfs/dbraw/zinc/21/45/16/486214516.db2.gz JBFGSGSFDVARNB-RTBURBONSA-N 2 0 344.503 1.992 20 0 EDADRP [NH3+][C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(Cl)c1 ZINC000669510152 486293631 /nfs/dbraw/zinc/29/36/31/486293631.db2.gz UWMJATXBSTUKKY-INIZCTEOSA-N 2 0 345.834 1.783 20 0 EDADRP Cn1c([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC000668933536 486360180 /nfs/dbraw/zinc/36/01/80/486360180.db2.gz LGKKPUMBXFEOFU-CVEARBPZSA-N 2 0 346.479 1.025 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2cn(CC[NH3+])nn2)CC[N@@H+]1Cc1ccccc1 ZINC000379666814 486636775 /nfs/dbraw/zinc/63/67/75/486636775.db2.gz XQVSIWXMWABAGT-HOCLYGCPSA-N 2 0 342.447 1.020 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000080117569 491171507 /nfs/dbraw/zinc/17/15/07/491171507.db2.gz LYZWLBSNCINZEA-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000154961101 533842122 /nfs/dbraw/zinc/84/21/22/533842122.db2.gz FFTQVUXVZUSITQ-ROUUACIJSA-N 3 0 348.535 1.914 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000163968073 528276991 /nfs/dbraw/zinc/27/69/91/528276991.db2.gz XZHPYVRCIORTOS-SJORKVTESA-N 2 0 335.448 1.183 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000153644199 529029499 /nfs/dbraw/zinc/02/94/99/529029499.db2.gz BJAHUIAFFBLFPP-UHFFFAOYSA-N 2 0 349.479 1.259 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](CO)O2)CC1 ZINC000353705920 534936419 /nfs/dbraw/zinc/93/64/19/534936419.db2.gz OMXUXFQQBPCKLE-OALUTQOASA-N 2 0 347.503 1.848 20 0 EDADRP CCC(CC)(CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000262415155 534977813 /nfs/dbraw/zinc/97/78/13/534977813.db2.gz PUYJEVNFWHRPRU-XIRDDKMYSA-N 2 0 333.476 1.735 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@@H](OC)C[N@@H+]2C)CC1 ZINC000346870563 535265006 /nfs/dbraw/zinc/26/50/06/535265006.db2.gz WVIHBTVPCYIULO-IAGOWNOFSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000236677583 535316110 /nfs/dbraw/zinc/31/61/10/535316110.db2.gz CMTRFGSVYCXGPE-HNNXBMFYSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000333458017 535330690 /nfs/dbraw/zinc/33/06/90/535330690.db2.gz YPQYHZMMOLAYIW-BHYGNILZSA-N 2 0 338.496 1.255 20 0 EDADRP CCOC(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352713106 535644651 /nfs/dbraw/zinc/64/46/51/535644651.db2.gz HDKRSYDLXGLERP-UHFFFAOYSA-N 2 0 333.476 1.689 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1)c1ccccc1 ZINC000347184495 535665765 /nfs/dbraw/zinc/66/57/65/535665765.db2.gz DIBAURDFUAVSIL-MJGOQNOKSA-N 2 0 347.503 1.985 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000333085584 535755526 /nfs/dbraw/zinc/75/55/26/535755526.db2.gz BNAXNEZUGOCEOH-IYBDPMFKSA-N 2 0 343.475 1.512 20 0 EDADRP CC[C@@]1(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000119644963 536027576 /nfs/dbraw/zinc/02/75/76/536027576.db2.gz KDRPIYBKPMCJCN-GOSISDBHSA-N 2 0 332.448 1.905 20 0 EDADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261968327 536558164 /nfs/dbraw/zinc/55/81/64/536558164.db2.gz PRTICVRNRDLJGW-GFCCVEGCSA-N 2 0 325.840 1.636 20 0 EDADRP COCC1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000262309731 536807597 /nfs/dbraw/zinc/80/75/97/536807597.db2.gz AFIFCGBORCGIST-OAHLLOKOSA-N 2 0 325.497 1.629 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000245888600 536914526 /nfs/dbraw/zinc/91/45/26/536914526.db2.gz BYALXSUEMMWYAL-MSOLQXFVSA-N 2 0 346.475 1.834 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)CC2)c1 ZINC000237372190 537115168 /nfs/dbraw/zinc/11/51/68/537115168.db2.gz JTYGTZKRUAQCPN-OAHLLOKOSA-N 2 0 346.475 1.765 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C ZINC000740884269 579388254 /nfs/dbraw/zinc/38/82/54/579388254.db2.gz SXNKOVLWMGEKCD-GOEBONIOSA-N 2 0 339.505 1.681 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCSC(F)(F)F ZINC000741079991 579396517 /nfs/dbraw/zinc/39/65/17/579396517.db2.gz VBXBGTJTSMFLID-UHFFFAOYSA-N 2 0 330.420 1.374 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000742107985 579434915 /nfs/dbraw/zinc/43/49/15/579434915.db2.gz ZEYBVJAYOQFYQL-QGZVFWFLSA-N 2 0 325.497 1.679 20 0 EDADRP Cc1ccc([C@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000743270571 579474698 /nfs/dbraw/zinc/47/46/98/579474698.db2.gz HIYKDEWSQKQYBN-LJQANCHMSA-N 2 0 340.471 1.965 20 0 EDADRP COC1CC[NH+](CCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000751040204 578546555 /nfs/dbraw/zinc/54/65/55/578546555.db2.gz VDQHCKOARNDGDY-UHFFFAOYSA-N 2 0 330.542 1.149 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000760161536 580024705 /nfs/dbraw/zinc/02/47/05/580024705.db2.gz YOHBJDAPOGREMV-OLZOCXBDSA-N 2 0 334.407 1.400 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccc3F)cn2)CC1 ZINC000729930965 578602823 /nfs/dbraw/zinc/60/28/23/578602823.db2.gz SQGOHHVQFOBBBU-GOSISDBHSA-N 2 0 344.434 1.796 20 0 EDADRP O[C@H](CN1CCc2c(ncn2-c2ccccc2)C1)C[NH+]1CCCC1 ZINC000778230087 580459314 /nfs/dbraw/zinc/45/93/14/580459314.db2.gz BTPNVXHYXKCWAN-KRWDZBQOSA-N 2 0 326.444 1.687 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCc3ccc(S(N)(=O)=O)cc3)CC[C@H]21 ZINC000766989431 580179223 /nfs/dbraw/zinc/17/92/23/580179223.db2.gz GSSIDKPBMMWUQQ-DOTOQJQBSA-N 2 0 337.489 1.293 20 0 EDADRP C[C@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000773002922 580325076 /nfs/dbraw/zinc/32/50/76/580325076.db2.gz AQNCOAPZESMZGR-WBVHZDCISA-N 2 0 333.476 1.883 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](CCO)C(C)C)cc2)CC1 ZINC000778565699 580467596 /nfs/dbraw/zinc/46/75/96/580467596.db2.gz GPBKSWXOEMOCRR-UHFFFAOYSA-N 2 0 348.491 1.470 20 0 EDADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CCOCC[NH+](C)C ZINC000796355485 580951889 /nfs/dbraw/zinc/95/18/89/580951889.db2.gz FKQRYVMZOFJNJL-UHFFFAOYSA-N 2 0 337.855 1.897 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CCc2sc(C[NH3+])nc2C1)C1CC1 ZINC000891953231 590704290 /nfs/dbraw/zinc/70/42/90/590704290.db2.gz OFXSSNDWLRDOPP-UHFFFAOYSA-N 2 0 337.493 1.544 20 0 EDADRP C[C@@]12CN(C(=O)NC3CC[NH2+]CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000891961065 590709614 /nfs/dbraw/zinc/70/96/14/590709614.db2.gz GTAYZUTUEYYWQK-FXAWDEMLSA-N 2 0 342.487 1.902 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980437 590722005 /nfs/dbraw/zinc/72/20/05/590722005.db2.gz VIBYHTFXQDISSW-QZTJIDSGSA-N 2 0 330.476 1.868 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)NCC[NH2+]C2CC2)C1 ZINC000891988702 590728693 /nfs/dbraw/zinc/72/86/93/590728693.db2.gz JJHKEZVWQICTAF-GOSISDBHSA-N 2 0 346.475 1.247 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000893249410 590735119 /nfs/dbraw/zinc/73/51/19/590735119.db2.gz QWHSWCNTFJMOMK-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000892000172 590737270 /nfs/dbraw/zinc/73/72/70/590737270.db2.gz PTEXCNDAZBOCPL-AEFFLSMTSA-N 2 0 330.476 1.868 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892037123 590764490 /nfs/dbraw/zinc/76/44/90/590764490.db2.gz UQXDHUOJCRQZOA-INIZCTEOSA-N 2 0 326.485 1.302 20 0 EDADRP COCC1(CNC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000892115494 590807863 /nfs/dbraw/zinc/80/78/63/590807863.db2.gz NNGGSHVNOCWKGT-QGZVFWFLSA-N 2 0 348.491 1.262 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2ccnc(N3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000892288197 590916613 /nfs/dbraw/zinc/91/66/13/590916613.db2.gz JJNCZBLAFWIJEL-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321998 590943745 /nfs/dbraw/zinc/94/37/45/590943745.db2.gz GXVZHMWCOKXVDO-RYQLBKOJSA-N 2 0 330.476 1.887 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000892412239 591018004 /nfs/dbraw/zinc/01/80/04/591018004.db2.gz QLHRLHMQLCPOJG-GUDVDZBRSA-N 2 0 344.503 1.978 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000892444776 591030255 /nfs/dbraw/zinc/03/02/55/591030255.db2.gz IEDFSXJJBXEWFS-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000892479820 591041921 /nfs/dbraw/zinc/04/19/21/591041921.db2.gz PNJQUEOBTHVRLO-IRXDYDNUSA-N 2 0 346.475 1.473 20 0 EDADRP CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000892479892 591042216 /nfs/dbraw/zinc/04/22/16/591042216.db2.gz SNYXRBMFOMLKPQ-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891341021 591050393 /nfs/dbraw/zinc/05/03/93/591050393.db2.gz XVVAGEBBSCKMCJ-KDURUIRLSA-N 2 0 342.487 1.839 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)C2)cc1 ZINC000892530761 591061030 /nfs/dbraw/zinc/06/10/30/591061030.db2.gz XDAYLNHNFMYXNL-BPQIPLTHSA-N 2 0 346.475 1.327 20 0 EDADRP COC(=O)c1c[nH]c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1C1CC1 ZINC000892545135 591067259 /nfs/dbraw/zinc/06/72/59/591067259.db2.gz JUBLPIXQBVBYJJ-UHFFFAOYSA-N 2 0 348.491 1.794 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892565802 591074657 /nfs/dbraw/zinc/07/46/57/591074657.db2.gz KVDGXSDIYSUVPW-LNLFQRSKSA-N 2 0 346.475 1.002 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+]CC3CC[NH+](C)CC3)cc2)CC1 ZINC000892582202 591080502 /nfs/dbraw/zinc/08/05/02/591080502.db2.gz GCMXCRVZDGULRR-UHFFFAOYSA-N 2 0 344.503 1.506 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892598085 591088423 /nfs/dbraw/zinc/08/84/23/591088423.db2.gz HGADYWSEHCDSAX-MUJYYYPQSA-N 2 0 338.496 1.052 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000891508607 591098748 /nfs/dbraw/zinc/09/87/48/591098748.db2.gz OVEPODPNEDRKPT-WKILWMFISA-N 2 0 334.464 1.554 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891536065 591111360 /nfs/dbraw/zinc/11/13/60/591111360.db2.gz CDGSEXRNUHYHIZ-KRWDZBQOSA-N 2 0 346.475 1.242 20 0 EDADRP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[N@H+](C)C1 ZINC000891534635 591111472 /nfs/dbraw/zinc/11/14/72/591111472.db2.gz NPHIBWRNEWKYKZ-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891538127 591112911 /nfs/dbraw/zinc/11/29/11/591112911.db2.gz QFKFTJPKXTWEGS-WMZOPIPTSA-N 2 0 338.496 1.272 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000891560482 591127373 /nfs/dbraw/zinc/12/73/73/591127373.db2.gz PCGXGOARINQPTJ-CRAIPNDOSA-N 2 0 344.459 1.588 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891574450 591132122 /nfs/dbraw/zinc/13/21/22/591132122.db2.gz GBTBQWRKFATFKV-YXJHDRRASA-N 2 0 336.480 1.071 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891580572 591135971 /nfs/dbraw/zinc/13/59/71/591135971.db2.gz XZXLBUWDWLHCNG-KGLIPLIRSA-N 2 0 332.439 1.795 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCc2cc(N)cc[nH+]2)Cc2ccccc2C1 ZINC000891597333 591141961 /nfs/dbraw/zinc/14/19/61/591141961.db2.gz NNCKLCBORQPGBQ-UHFFFAOYSA-N 2 0 339.443 1.562 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000891626676 591155953 /nfs/dbraw/zinc/15/59/53/591155953.db2.gz MTOXFGAYPXPKGD-QZTJIDSGSA-N 2 0 330.476 1.854 20 0 EDADRP CCc1[nH]c(C[NH+]2CCC(OCC[NH+](C)C)CC2)cc1C(=O)OC ZINC000894016525 591171943 /nfs/dbraw/zinc/17/19/43/591171943.db2.gz FJROOQURURDVIW-UHFFFAOYSA-N 2 0 337.464 1.906 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@@H]1Cc3ccccc3C[NH2+]1)C2 ZINC000892790649 591176851 /nfs/dbraw/zinc/17/68/51/591176851.db2.gz HLBYCJWWHWWQLK-YTQUADARSA-N 2 0 328.460 1.342 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000891695045 591187448 /nfs/dbraw/zinc/18/74/48/591187448.db2.gz WHKHAVNUGSVSRN-HOTGVXAUSA-N 2 0 338.496 1.277 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000891694103 591187708 /nfs/dbraw/zinc/18/77/08/591187708.db2.gz IWNDQLIEDXTOTD-GJZGRUSLSA-N 2 0 326.485 1.181 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000892810271 591188798 /nfs/dbraw/zinc/18/87/98/591188798.db2.gz JRHYZZNIAYOXBW-MSOLQXFVSA-N 2 0 328.460 1.581 20 0 EDADRP CCc1[nH]c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1C(=O)OC ZINC000894168884 591215402 /nfs/dbraw/zinc/21/54/02/591215402.db2.gz VDAWCOWGOMITPF-UHFFFAOYSA-N 2 0 336.480 1.479 20 0 EDADRP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000894264613 591255845 /nfs/dbraw/zinc/25/58/45/591255845.db2.gz XWTCJDGYIGRSIP-DOTOQJQBSA-N 2 0 345.553 1.804 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CCC[S@](C)=O)c2c1OC(F)(F)O2 ZINC000894286025 591266460 /nfs/dbraw/zinc/26/64/60/591266460.db2.gz XZKGIZZIQJXQFD-QHCPKHFHSA-N 2 0 348.415 1.928 20 0 EDADRP C[C@@H]1C[C@@]2(CC[C@H](C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)O2)CO1 ZINC000895819271 591281005 /nfs/dbraw/zinc/28/10/05/591281005.db2.gz WIGDBEZRLAQNEU-KYJSFNMBSA-N 2 0 326.481 1.538 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@]3(C)Br)CC2)CC1 ZINC000895846338 591286910 /nfs/dbraw/zinc/28/69/10/591286910.db2.gz VZHGBLFOFYDOBT-HIFRSBDPSA-N 2 0 330.314 1.872 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000895887599 591297256 /nfs/dbraw/zinc/29/72/56/591297256.db2.gz DGLMJLKWFRRPCW-RTBURBONSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000897438272 591451305 /nfs/dbraw/zinc/45/13/05/591451305.db2.gz UOJQAIXUBYZYRY-INIZCTEOSA-N 2 0 338.496 1.082 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897545402 591545103 /nfs/dbraw/zinc/54/51/03/591545103.db2.gz NPAYDDNCZWZQRL-KRWDZBQOSA-N 2 0 342.528 1.718 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000896609459 591552326 /nfs/dbraw/zinc/55/23/26/591552326.db2.gz NVDZEBJWYITBRD-OAGGEKHMSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C[C@H](C)O1 ZINC000897600785 591577955 /nfs/dbraw/zinc/57/79/55/591577955.db2.gz SPTFGVYRPZLULI-JKIFEVAISA-N 2 0 349.479 1.358 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C1C[NH+](C2CCOCC2)C1)C(C)C ZINC000896789479 591612768 /nfs/dbraw/zinc/61/27/68/591612768.db2.gz DXCZWXYGXNEPEK-UHFFFAOYSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC1 ZINC000895318590 591710706 /nfs/dbraw/zinc/71/07/06/591710706.db2.gz PQOSCVXDKCUSGU-HDICACEKSA-N 2 0 341.455 1.445 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000895460996 591766121 /nfs/dbraw/zinc/76/61/21/591766121.db2.gz JIYNJMGYGMLLCK-RTBURBONSA-N 2 0 345.487 1.689 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000897240777 591782526 /nfs/dbraw/zinc/78/25/26/591782526.db2.gz PTZSMVCWZNOICU-RBUKOAKNSA-N 2 0 343.471 1.659 20 0 EDADRP C[C@H]1CN(Cc2ccc(S(N)(=O)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000895558155 591801335 /nfs/dbraw/zinc/80/13/35/591801335.db2.gz RVXNYBVVCQPZEI-AWEZNQCLSA-N 2 0 346.456 1.440 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000900020903 591871413 /nfs/dbraw/zinc/87/14/13/591871413.db2.gz VXTBGCXAKYXZFA-HKUYNNGSSA-N 2 0 331.460 1.354 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCn2ccc(=O)[nH]c2=O)CC1 ZINC000898333811 591875598 /nfs/dbraw/zinc/87/55/98/591875598.db2.gz WXIGCWACERVTJR-RDJZCZTQSA-N 2 0 348.491 1.972 20 0 EDADRP COc1c[nH]c(CO)c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195658 591942546 /nfs/dbraw/zinc/94/25/46/591942546.db2.gz MYLVLWHFBANHEB-DYVFJYSZSA-N 2 0 347.459 1.325 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900214208 591945350 /nfs/dbraw/zinc/94/53/50/591945350.db2.gz BPIOVGSILHFQCK-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000900215977 591945997 /nfs/dbraw/zinc/94/59/97/591945997.db2.gz JAJAZTMIIFGNAP-UHFFFAOYSA-N 2 0 335.496 1.687 20 0 EDADRP COc1cccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000900285808 591972093 /nfs/dbraw/zinc/97/20/93/591972093.db2.gz DDQLCBCBWKTQPW-UHFFFAOYSA-N 2 0 343.471 1.872 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902353636 591985389 /nfs/dbraw/zinc/98/53/89/591985389.db2.gz ZYJFTBDCHVOPNY-HNNXBMFYSA-N 2 0 339.505 1.805 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)(N2CCOCC2)CC1 ZINC000902390118 591990014 /nfs/dbraw/zinc/99/00/14/591990014.db2.gz HHHZZIOPZVFBRC-QGZVFWFLSA-N 3 0 338.540 1.151 20 0 EDADRP CCS(=O)(=O)C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902500300 592003144 /nfs/dbraw/zinc/00/31/44/592003144.db2.gz FLKJTPNZCZDJBQ-LXZKKBNFSA-N 2 0 338.473 1.655 20 0 EDADRP O=S1(=O)CCC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000902502070 592003521 /nfs/dbraw/zinc/00/35/21/592003521.db2.gz LJZJMOCQIPPXRO-LXZKKBNFSA-N 2 0 336.457 1.409 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000900406224 592009383 /nfs/dbraw/zinc/00/93/83/592009383.db2.gz PBWXCDDHMPSTMQ-PKOBYXMFSA-N 2 0 333.476 1.561 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900416684 592013402 /nfs/dbraw/zinc/01/34/02/592013402.db2.gz CNHPXLGKZPTECA-UHFFFAOYSA-N 2 0 343.475 1.649 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000900446590 592020323 /nfs/dbraw/zinc/02/03/23/592020323.db2.gz PHZIRMWSFPRXJL-OALUTQOASA-N 2 0 348.535 1.678 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)c1 ZINC000900585311 592070424 /nfs/dbraw/zinc/07/04/24/592070424.db2.gz YHWJUYHZDFGCPG-DOTOQJQBSA-N 2 0 344.459 1.756 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900696498 592089359 /nfs/dbraw/zinc/08/93/59/592089359.db2.gz SZOZAERUXCCCNE-KURKYZTESA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@H](CNS(C)(=O)=O)[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000903005913 592100174 /nfs/dbraw/zinc/10/01/74/592100174.db2.gz AWGQTCQVDHSGDS-UKRRQHHQSA-N 2 0 336.461 1.851 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900744257 592116081 /nfs/dbraw/zinc/11/60/81/592116081.db2.gz CXYOPAKTYNOIKE-UGXKVIGPSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@]23CCOC3)cc1 ZINC000903118569 592123433 /nfs/dbraw/zinc/12/34/33/592123433.db2.gz FJNKCFQPOWPJBA-HKUYNNGSSA-N 2 0 347.459 1.016 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C)C1CC[NH+](C)CC1 ZINC000903131499 592125683 /nfs/dbraw/zinc/12/56/83/592125683.db2.gz SOLQYQKLJUQMGD-NUEKZKHPSA-N 2 0 335.496 1.942 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000900794151 592125684 /nfs/dbraw/zinc/12/56/84/592125684.db2.gz TUDGXPYJJRWMTL-SFHVURJKSA-N 2 0 336.524 1.347 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903148238 592129115 /nfs/dbraw/zinc/12/91/15/592129115.db2.gz RPOZMWDYUNWLDF-SLFFLAALSA-N 2 0 346.471 1.681 20 0 EDADRP OC1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000903189292 592136255 /nfs/dbraw/zinc/13/62/55/592136255.db2.gz AGWRYHCLMICXDF-AZUAARDMSA-N 2 0 346.471 1.551 20 0 EDADRP CCNS(=O)(=O)c1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000903234371 592146069 /nfs/dbraw/zinc/14/60/69/592146069.db2.gz NMEAMGDQNQSFJB-CQSZACIVSA-N 2 0 339.505 1.805 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000903432621 592168693 /nfs/dbraw/zinc/16/86/93/592168693.db2.gz HHRCQNBOBISLRG-ZBFHGGJFSA-N 2 0 335.517 1.974 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000903422230 592170762 /nfs/dbraw/zinc/17/07/62/592170762.db2.gz LKNIUMZFXSWJME-CQSZACIVSA-N 2 0 339.505 1.902 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000900958778 592185352 /nfs/dbraw/zinc/18/53/52/592185352.db2.gz RGBUWLFRJUQAFZ-BZUAXINKSA-N 2 0 339.480 1.251 20 0 EDADRP CCCCCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509162 592189526 /nfs/dbraw/zinc/18/95/26/592189526.db2.gz CIGWXGGBOQBGSK-NXHRZFHOSA-N 2 0 336.524 1.582 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521882 592196716 /nfs/dbraw/zinc/19/67/16/592196716.db2.gz GQNSVQJIEPIXBF-MYZZLAAOSA-N 2 0 337.508 1.818 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cnc(Cl)s2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903524956 592197734 /nfs/dbraw/zinc/19/77/34/592197734.db2.gz GRSCZNRPUNDBBT-YPMHNXCESA-N 2 0 328.869 1.533 20 0 EDADRP C[C@@]1([C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)COC(=O)N1 ZINC000903560860 592210055 /nfs/dbraw/zinc/21/00/55/592210055.db2.gz BZLQUTWOSHSSRY-DFEOGRTESA-N 2 0 347.459 1.128 20 0 EDADRP CC(C)(C)CC[C@H]([NH3+])C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000904362203 592238063 /nfs/dbraw/zinc/23/80/63/592238063.db2.gz IJRBRAWGDZMELW-ZDUSSCGKSA-N 2 0 331.526 1.686 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656076 592238404 /nfs/dbraw/zinc/23/84/04/592238404.db2.gz PEUZIZFBHVEDQU-MRXNPFEDSA-N 2 0 346.475 1.762 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@]([NH3+])(CO)C2)CC1 ZINC000904407143 592250486 /nfs/dbraw/zinc/25/04/86/592250486.db2.gz OBHINRUFSKUBIT-HXUWFJFHSA-N 2 0 346.519 1.504 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000906672210 592254124 /nfs/dbraw/zinc/25/41/24/592254124.db2.gz JGFPUVHJQQUIBO-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP COC(=O)CCC1([NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000904433438 592255943 /nfs/dbraw/zinc/25/59/43/592255943.db2.gz NOJCQZVDHLOEIF-OAHLLOKOSA-N 2 0 339.480 1.429 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906674643 592255977 /nfs/dbraw/zinc/25/59/77/592255977.db2.gz CUIJESBRLHFNKD-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725615 592285304 /nfs/dbraw/zinc/28/53/04/592285304.db2.gz DSGMWGOMUNUUJP-MOPGFXCFSA-N 2 0 348.487 1.655 20 0 EDADRP O=C(NC1CCCCC1)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727674 592286033 /nfs/dbraw/zinc/28/60/33/592286033.db2.gz WWLUSLSMOOTQAC-UYAOXDASSA-N 2 0 349.519 1.916 20 0 EDADRP O=C([C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCCC1 ZINC000903728443 592286165 /nfs/dbraw/zinc/28/61/65/592286165.db2.gz BMHZNLHAVMMPSQ-DLBZAZTESA-N 2 0 335.492 1.480 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000904597550 592292594 /nfs/dbraw/zinc/29/25/94/592292594.db2.gz TYFOGIDLQJYBBH-KBPBESRZSA-N 2 0 334.464 1.799 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903754086 592296956 /nfs/dbraw/zinc/29/69/56/592296956.db2.gz ZBRRUQBDJCPDFN-HZPDHXFCSA-N 2 0 340.512 1.010 20 0 EDADRP Cc1ccc(N(C)C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739156 592300801 /nfs/dbraw/zinc/30/08/01/592300801.db2.gz DDESWLBGJUSAKK-MJGOQNOKSA-N 2 0 345.491 1.454 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739016 592300905 /nfs/dbraw/zinc/30/09/05/592300905.db2.gz AVVDHCVQVMLRHW-FUHWJXTLSA-N 3 0 339.524 1.170 20 0 EDADRP COC(=O)c1cc(C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)no1 ZINC000903779077 592319570 /nfs/dbraw/zinc/31/95/70/592319570.db2.gz TZSOEUKVZIQXAT-KBXCAEBGSA-N 2 0 349.431 1.409 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC[N@@H+](C3CCCC3)CC2)cnn1C ZINC000903888404 592351080 /nfs/dbraw/zinc/35/10/80/592351080.db2.gz BAIDLKWIPQKSMZ-QGZVFWFLSA-N 2 0 333.524 1.796 20 0 EDADRP O=C(Cc1ccccc1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879503 592360107 /nfs/dbraw/zinc/36/01/07/592360107.db2.gz CFYKDWZHPUYGLB-YQQQUEKLSA-N 2 0 327.472 1.904 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000903880918 592360528 /nfs/dbraw/zinc/36/05/28/592360528.db2.gz XIRXFECGVZKBMM-GOSISDBHSA-N 2 0 346.523 1.901 20 0 EDADRP CCN1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1c1nccn1C ZINC000903914497 592364652 /nfs/dbraw/zinc/36/46/52/592364652.db2.gz IBGOTEBQUISNKC-IBGZPJMESA-N 2 0 339.487 1.945 20 0 EDADRP C[N@H+](CCN1CCN(C[C@H]([NH3+])CC(F)F)CC1)Cc1ccccc1 ZINC000903892351 592364873 /nfs/dbraw/zinc/36/48/73/592364873.db2.gz RFCVPSZAMUDAJN-QGZVFWFLSA-N 2 0 340.462 1.719 20 0 EDADRP Cc1nnc([C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898369 592368563 /nfs/dbraw/zinc/36/85/63/592368563.db2.gz KHXPWSCGXDFICI-HUUCEWRRSA-N 2 0 331.468 1.152 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)cnn1C ZINC000903918726 592376756 /nfs/dbraw/zinc/37/67/56/592376756.db2.gz GFBHKCMUDHHMNO-ZFWWWQNUSA-N 2 0 345.466 1.983 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922980 592378060 /nfs/dbraw/zinc/37/80/60/592378060.db2.gz ISGZMKQBLNQISQ-DOTOQJQBSA-N 2 0 328.464 1.109 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cnn1C ZINC000903924252 592378996 /nfs/dbraw/zinc/37/89/96/592378996.db2.gz AMYRFEUOMDAYKY-MRXNPFEDSA-N 3 0 347.482 1.836 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CCn2c3ccccc3[nH]c2=O)cnn1C ZINC000903925597 592379009 /nfs/dbraw/zinc/37/90/09/592379009.db2.gz OSKBPQQMOXYVMW-CQSZACIVSA-N 2 0 342.447 1.191 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202079 592379640 /nfs/dbraw/zinc/37/96/40/592379640.db2.gz IFEWPQOGSGVXLK-ROUUACIJSA-N 2 0 331.460 1.081 20 0 EDADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903925136 592379877 /nfs/dbraw/zinc/37/98/77/592379877.db2.gz KSOGKEINILHFLT-MLGOLLRUSA-N 2 0 332.496 1.417 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](Oc3ccccc3)C2)cnn1C ZINC000903932163 592383927 /nfs/dbraw/zinc/38/39/27/592383927.db2.gz NJUQYEOSUCHWKO-APWZRJJASA-N 2 0 328.460 1.999 20 0 EDADRP Cc1csc([C@@H]2CC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903937128 592387967 /nfs/dbraw/zinc/38/79/67/592387967.db2.gz BUVKTBSZNXOYLC-KGLIPLIRSA-N 2 0 332.477 1.957 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[C@@]1(O)CCOC1 ZINC000905098486 592404280 /nfs/dbraw/zinc/40/42/80/592404280.db2.gz SSYSUIKFJISLFR-UFYCRDLUSA-N 2 0 348.487 1.043 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000903986181 592405316 /nfs/dbraw/zinc/40/53/16/592405316.db2.gz HHESIJOHLDYHOF-WDEREUQCSA-N 2 0 325.400 1.163 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905094129 592420029 /nfs/dbraw/zinc/42/00/29/592420029.db2.gz CZCHXNIGJOHYPY-NVXWUHKLSA-N 2 0 346.475 1.133 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(O)CCCC1 ZINC000905143341 592435994 /nfs/dbraw/zinc/43/59/94/592435994.db2.gz ALGFKRBQAOKSHA-IBGZPJMESA-N 2 0 348.487 1.399 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(CO)CCCC2)CCCO1 ZINC000905232331 592459481 /nfs/dbraw/zinc/45/94/81/592459481.db2.gz NKDDBDWUEWVKON-IRXDYDNUSA-N 2 0 328.497 1.381 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908442828 592497305 /nfs/dbraw/zinc/49/73/05/592497305.db2.gz SICIVSHGRIJPEX-UHFFFAOYSA-N 2 0 349.479 1.274 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905360555 592506687 /nfs/dbraw/zinc/50/66/87/592506687.db2.gz VLPWEYHISMWKGM-UHFFFAOYSA-N 2 0 343.537 1.656 20 0 EDADRP C[NH+]1CCC2(CCC(NC(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)CC1 ZINC000908489565 592516383 /nfs/dbraw/zinc/51/63/83/592516383.db2.gz GFSOEVSEPFXSRD-IAGOWNOFSA-N 2 0 335.492 1.620 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503735 592546865 /nfs/dbraw/zinc/54/68/65/592546865.db2.gz UEJWLPJMRAJHEJ-MRLBHPIUSA-N 2 0 338.414 1.759 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000905497135 592553734 /nfs/dbraw/zinc/55/37/34/592553734.db2.gz WYHPKKPCUVTEDP-PNKHAZJDSA-N 2 0 328.497 1.232 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000905624466 592589168 /nfs/dbraw/zinc/58/91/68/592589168.db2.gz NVZRHIMUFAUVMD-XHSDSOJGSA-N 2 0 341.496 1.726 20 0 EDADRP CCN(C(=O)C1CCC([NH+]2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000908917324 592660444 /nfs/dbraw/zinc/66/04/44/592660444.db2.gz TVITUCCLTCZEGJ-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[S@@](=O)C(F)(F)F)CC1 ZINC000905932696 592687694 /nfs/dbraw/zinc/68/76/94/592687694.db2.gz NXKJIQDBEUGERS-WIUDPPPLSA-N 2 0 330.416 1.280 20 0 EDADRP CC(C)CN1CCO[C@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905937862 592689120 /nfs/dbraw/zinc/68/91/20/592689120.db2.gz NMFSSRMRDBSRRJ-DLBZAZTESA-N 2 0 328.497 1.237 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000906096119 592740723 /nfs/dbraw/zinc/74/07/23/592740723.db2.gz BGZXFRKSGGLKKI-KGLIPLIRSA-N 2 0 336.505 1.987 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000907658461 592745513 /nfs/dbraw/zinc/74/55/13/592745513.db2.gz VBOCJPFBTNHHDP-UHFFFAOYSA-N 2 0 326.529 1.593 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909212551 592771069 /nfs/dbraw/zinc/77/10/69/592771069.db2.gz OVFLWCAYDZVVMB-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP Cn1ccnc1CNc1ccc(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000907805546 592788969 /nfs/dbraw/zinc/78/89/69/592788969.db2.gz UPARTYYRBCTXEX-IYBDPMFKSA-N 2 0 339.443 1.666 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000907862230 592819400 /nfs/dbraw/zinc/81/94/00/592819400.db2.gz NRACXLNOCDKIDH-ZHALLVOQSA-N 2 0 331.460 1.080 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878553 592826497 /nfs/dbraw/zinc/82/64/97/592826497.db2.gz SUBLPEYDIAOKIA-AJYBTWMASA-N 2 0 343.471 1.032 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cnccn1 ZINC000906489839 592830883 /nfs/dbraw/zinc/83/08/83/592830883.db2.gz VONKFBDENDCXBG-HZPDHXFCSA-N 2 0 333.480 1.455 20 0 EDADRP Cc1cc(C)c(C(=O)N2CCO[C@@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000906590604 592852641 /nfs/dbraw/zinc/85/26/41/592852641.db2.gz BXTHGPVJCYXUJZ-KRWDZBQOSA-N 2 0 346.475 1.095 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000906581188 592857675 /nfs/dbraw/zinc/85/76/75/592857675.db2.gz SULXMLUPIDNQLG-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000910714714 592888661 /nfs/dbraw/zinc/88/86/61/592888661.db2.gz CVHFCQMQHDZBQG-OAHLLOKOSA-N 2 0 340.512 1.022 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1)C(C)C ZINC000910993123 592908089 /nfs/dbraw/zinc/90/80/89/592908089.db2.gz PWCOKHXLGAOFHY-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP O=C(N1CCC[N@H+](Cc2ccccc2)CC1)[C@]12C[NH2+]C[C@H]1CCOC2 ZINC000911637967 592962305 /nfs/dbraw/zinc/96/23/05/592962305.db2.gz YWUPOYCFUCJXDQ-QUCCMNQESA-N 2 0 343.471 1.347 20 0 EDADRP [NH3+]C1CC(CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000911736919 592993410 /nfs/dbraw/zinc/99/34/10/592993410.db2.gz ZLSAYXPUXDLYQD-UHFFFAOYSA-N 2 0 331.416 1.661 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911751992 592997510 /nfs/dbraw/zinc/99/75/10/592997510.db2.gz RLIAMOVPUBIMJH-YXPYIKCWSA-N 2 0 343.427 1.389 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000911733914 592999086 /nfs/dbraw/zinc/99/90/86/592999086.db2.gz FNEOJHAUHAXJBK-UHFFFAOYSA-N 2 0 341.455 1.774 20 0 EDADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911765403 592999985 /nfs/dbraw/zinc/99/99/85/592999985.db2.gz UPRAWXMYDUGUEV-APWZRJJASA-N 2 0 325.412 1.612 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911833814 593019151 /nfs/dbraw/zinc/01/91/51/593019151.db2.gz RIHRIIRDYDSXGA-BDJLRTHQSA-N 2 0 331.382 1.853 20 0 EDADRP CN1CCN(C(=O)C2=Cc3ccccc3O[C@H]2C(F)F)[C@@H](C[NH3+])C1 ZINC000911877695 593029519 /nfs/dbraw/zinc/02/95/19/593029519.db2.gz CDWMSHBPEKUMMW-SWLSCSKDSA-N 2 0 337.370 1.197 20 0 EDADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000737036831 593053689 /nfs/dbraw/zinc/05/36/89/593053689.db2.gz MCERPMKDPPFDET-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810112163 593384272 /nfs/dbraw/zinc/38/42/72/593384272.db2.gz KRMFVWPFDDLMFN-SFHVURJKSA-N 2 0 342.503 1.343 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030746 593395021 /nfs/dbraw/zinc/39/50/21/593395021.db2.gz MNCWDXWMCOUHFD-OOBKVVHMSA-N 2 0 345.487 1.781 20 0 EDADRP CC1(C)[C@H](O)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000812866044 593511159 /nfs/dbraw/zinc/51/11/59/593511159.db2.gz XEAHNRKQCQKOIQ-GOSISDBHSA-N 2 0 345.487 1.744 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2ccccc2C)CC[NH2+]CC1 ZINC000817890727 593645842 /nfs/dbraw/zinc/64/58/42/593645842.db2.gz YATJOLNRPWZGQM-WBVHZDCISA-N 2 0 334.460 1.939 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@](O)(c1ccccc1)C(F)(F)F ZINC000817890998 593645848 /nfs/dbraw/zinc/64/58/48/593645848.db2.gz DHJANOHHAIGRCC-CYUUQNCZSA-N 2 0 332.366 1.778 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2ccsc2)CC[NH2+]CC1 ZINC000817896804 593646748 /nfs/dbraw/zinc/64/67/48/593646748.db2.gz UTJIBAZYACMUCR-GXTWGEPZSA-N 2 0 326.462 1.693 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000819061265 593736610 /nfs/dbraw/zinc/73/66/10/593736610.db2.gz KJLKPIGWTWDZCT-MSOLQXFVSA-N 2 0 341.446 1.860 20 0 EDADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819374076 593752355 /nfs/dbraw/zinc/75/23/55/593752355.db2.gz HLEOFJJHQZETQJ-YMAMQOFZSA-N 2 0 329.485 1.725 20 0 EDADRP C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000821600184 593875154 /nfs/dbraw/zinc/87/51/54/593875154.db2.gz BCNMSBVZGYPGAL-OAHLLOKOSA-N 2 0 344.463 1.909 20 0 EDADRP COC(=O)[C@H]1[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1(F)F ZINC000820856087 593906868 /nfs/dbraw/zinc/90/68/68/593906868.db2.gz IVSUDLLYXSTVIA-UONOGXRCSA-N 2 0 332.391 1.085 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)C1 ZINC000821109583 593967368 /nfs/dbraw/zinc/96/73/68/593967368.db2.gz MKJLDIOWKIRZMK-CQSZACIVSA-N 2 0 330.436 1.697 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@H]3C[C@]34CC[NH2+]C4)n2)ccn1 ZINC000822861225 594112907 /nfs/dbraw/zinc/11/29/07/594112907.db2.gz BLEXWSOYECNHQU-DYVFJYSZSA-N 2 0 329.404 1.539 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)CC1 ZINC000827847881 594290068 /nfs/dbraw/zinc/29/00/68/594290068.db2.gz SALLQMQKAAXZEP-UHFFFAOYSA-N 2 0 343.471 1.442 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3cccn3cn2)C[C@H]1C[NH+](C)C ZINC000827892947 594299314 /nfs/dbraw/zinc/29/93/14/594299314.db2.gz XTWPFRDDEZHRHK-HUUCEWRRSA-N 2 0 329.448 1.146 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)COC2CC[NH+](C)CC2)CC1 ZINC000828018735 594323120 /nfs/dbraw/zinc/32/31/20/594323120.db2.gz KTGQHDQNBPNNFO-UHFFFAOYSA-N 2 0 337.508 1.964 20 0 EDADRP COCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000828395316 594409038 /nfs/dbraw/zinc/40/90/38/594409038.db2.gz JGZUWDOODYRAPN-CYBMUJFWSA-N 2 0 328.844 1.128 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@]3(F)CC[NH2+]C3)c2)CC1 ZINC000827227665 594654758 /nfs/dbraw/zinc/65/47/58/594654758.db2.gz JXZXCJWVGVNNDK-SFHVURJKSA-N 2 0 348.422 1.024 20 0 EDADRP [NH3+][C@@H](CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000827341186 594662735 /nfs/dbraw/zinc/66/27/35/594662735.db2.gz VGNYQLZJTOCBSA-IBGZPJMESA-N 2 0 344.503 1.832 20 0 EDADRP Cc1ccc(N2CCC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)cc1 ZINC000841003078 594837727 /nfs/dbraw/zinc/83/77/27/594837727.db2.gz MHSWFRSAUDTERM-SFHVURJKSA-N 2 0 344.503 1.704 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H]2C)c1 ZINC000841050429 594844486 /nfs/dbraw/zinc/84/44/86/594844486.db2.gz GYMISHBDVQKDDK-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847013 594964319 /nfs/dbraw/zinc/96/43/19/594964319.db2.gz GFTLSCDLIMUVTF-CYBMUJFWSA-N 2 0 333.432 1.922 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841846731 594964477 /nfs/dbraw/zinc/96/44/77/594964477.db2.gz MNCMHUKLQWKZIY-TZMCWYRMSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847021 594964487 /nfs/dbraw/zinc/96/44/87/594964487.db2.gz GNDNGKQBQDLUNM-BLLLJJGKSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847517 594964893 /nfs/dbraw/zinc/96/48/93/594964893.db2.gz PJKTXWQLOOYMIH-GFCCVEGCSA-N 2 0 331.416 1.674 20 0 EDADRP COC[C@]1(CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CCC[NH2+]1 ZINC000841850920 594965172 /nfs/dbraw/zinc/96/51/72/594965172.db2.gz IVBLXBWIMQEMIF-XJKSGUPXSA-N 2 0 340.855 1.318 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000841929084 594984046 /nfs/dbraw/zinc/98/40/46/594984046.db2.gz RUHDJCIRTPFNNA-UHFFFAOYSA-N 2 0 346.475 1.194 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000842012297 595002226 /nfs/dbraw/zinc/00/22/26/595002226.db2.gz ZWJZZAULAHWSDF-MSOLQXFVSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000842015389 595003003 /nfs/dbraw/zinc/00/30/03/595003003.db2.gz KJVSNTLMPWNXPU-LSDHHAIUSA-N 2 0 346.475 1.313 20 0 EDADRP CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1CCC([NH3+])CC1 ZINC000842125737 595020005 /nfs/dbraw/zinc/02/00/05/595020005.db2.gz PLJGQFWZAZQAPO-NRXISQOPSA-N 2 0 340.512 1.197 20 0 EDADRP O=C([C@@H]1CCCN(Cc2cnc(Cl)s2)C1)N1CC[NH2+]CC1 ZINC000843348011 595081960 /nfs/dbraw/zinc/08/19/60/595081960.db2.gz ZRDPNLMKADHRJP-LLVKDONJSA-N 2 0 328.869 1.440 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000842510331 595122987 /nfs/dbraw/zinc/12/29/87/595122987.db2.gz OCZLCBODVDHIDQ-UHFFFAOYSA-N 2 0 338.540 1.831 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000834564477 595163734 /nfs/dbraw/zinc/16/37/34/595163734.db2.gz LBZYLQAELLQKGE-DLBZAZTESA-N 2 0 329.460 1.114 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H](O)c2cc3ccccc3s2)CC1 ZINC000843074270 595281271 /nfs/dbraw/zinc/28/12/71/595281271.db2.gz CTVSFQXAZFVYKJ-HOTGVXAUSA-N 2 0 349.500 1.133 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173306 595291320 /nfs/dbraw/zinc/29/13/20/595291320.db2.gz TZNXUPVHQIGMAS-MSOLQXFVSA-N 2 0 331.460 1.536 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1n[nH]c2c1C[NH2+]CC2 ZINC000844173319 595291393 /nfs/dbraw/zinc/29/13/93/595291393.db2.gz ULOUENFADOGBNE-UHFFFAOYSA-N 2 0 329.404 1.378 20 0 EDADRP CN(C(=O)C[C@H]([NH3+])C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000844177896 595293509 /nfs/dbraw/zinc/29/35/09/595293509.db2.gz RMPFHYBIDRIVPV-SFHVURJKSA-N 2 0 330.476 1.674 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000846667004 595296335 /nfs/dbraw/zinc/29/63/35/595296335.db2.gz ULRYBMNXJRSCIY-AWEZNQCLSA-N 2 0 345.443 1.924 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(CC[C@@H]3CCC[NH2+]3)n2)ccn1 ZINC000843191722 595302615 /nfs/dbraw/zinc/30/26/15/595302615.db2.gz KZAAOJANDGRQKE-AWEZNQCLSA-N 2 0 331.420 1.757 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(/C=C\C(=O)OC)o2)CC1 ZINC000848893090 595464385 /nfs/dbraw/zinc/46/43/85/595464385.db2.gz PGAYQDWANCMZFN-LZNQSLFOSA-N 2 0 335.448 1.581 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000849013279 595474800 /nfs/dbraw/zinc/47/48/00/595474800.db2.gz ZYTMNTWSRHMYLN-GOSISDBHSA-N 2 0 348.491 1.708 20 0 EDADRP [NH2+]=C(NCCn1ccnc1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849053306 595475854 /nfs/dbraw/zinc/47/58/54/595475854.db2.gz WPFNMRKBLDVFMV-UHFFFAOYSA-N 2 0 326.448 1.662 20 0 EDADRP COC1CC[NH+](CCNC(=[NH2+])Nc2ccc3c(c2)OCCCO3)CC1 ZINC000849103595 595482300 /nfs/dbraw/zinc/48/23/00/595482300.db2.gz YQEPKCWMEFXOKJ-UHFFFAOYSA-N 2 0 348.447 1.895 20 0 EDADRP [NH2+]=C(NC[C@@H]1CCCNC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849115973 595484585 /nfs/dbraw/zinc/48/45/85/595484585.db2.gz HNTDSDBHNDGDIA-INIZCTEOSA-N 2 0 343.475 1.291 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000849545178 595560734 /nfs/dbraw/zinc/56/07/34/595560734.db2.gz LNRSDFYKMLBAPU-QZTJIDSGSA-N 2 0 345.491 1.152 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)C(C)(C)C[NH+](C)C ZINC000849552248 595562958 /nfs/dbraw/zinc/56/29/58/595562958.db2.gz MVRZIAWJAHRACY-USXIJHARSA-N 2 0 349.523 1.548 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849569896 595574006 /nfs/dbraw/zinc/57/40/06/595574006.db2.gz XAZHYWKZCMLJSQ-UAGQMJEPSA-N 2 0 333.480 1.008 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1Cl ZINC000852861778 595583404 /nfs/dbraw/zinc/58/34/04/595583404.db2.gz JKFHXMNNOSBOMS-NSHDSACASA-N 2 0 340.811 1.323 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852870287 595589424 /nfs/dbraw/zinc/58/94/24/595589424.db2.gz CHEMJOOAERZLFE-IIAWOOMASA-N 2 0 344.459 1.363 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849608267 595594494 /nfs/dbraw/zinc/59/44/94/595594494.db2.gz NRPOWYPQNWQLKO-MSOLQXFVSA-N 2 0 349.523 1.550 20 0 EDADRP Cc1cncn1CC(=O)O[C@H]1C[C@H](OC(=O)Cn2cncc2C)C1 ZINC000860728114 595776959 /nfs/dbraw/zinc/77/69/59/595776959.db2.gz OITNWYVOXPNHHI-HDJSIYSDSA-N 2 0 332.360 1.014 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CCN(S(C)(=O)=O)C2)cc1 ZINC000859211817 596005666 /nfs/dbraw/zinc/00/56/66/596005666.db2.gz ALWJMXBADQIUON-QGZVFWFLSA-N 2 0 339.505 1.462 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596031 596029119 /nfs/dbraw/zinc/02/91/19/596029119.db2.gz PTKHKIFZFCMJQA-YOEHRIQHSA-N 2 0 334.464 1.463 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000861619778 596049571 /nfs/dbraw/zinc/04/95/71/596049571.db2.gz NHFCPWPVZDONDP-JEBQAFNWSA-N 2 0 346.475 1.962 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC1 ZINC000866570774 596254695 /nfs/dbraw/zinc/25/46/95/596254695.db2.gz QGEHACKFZGCFDW-GOEBONIOSA-N 2 0 345.553 1.934 20 0 EDADRP O=C(CC[NH2+]CC1CC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000870901599 596396707 /nfs/dbraw/zinc/39/67/07/596396707.db2.gz BEQZZGGDRXQCKS-UHFFFAOYSA-N 2 0 337.508 1.775 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000863551118 596615341 /nfs/dbraw/zinc/61/53/41/596615341.db2.gz CWTVXKVVBJFSIV-LSDHHAIUSA-N 2 0 329.485 1.582 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000867972530 596640388 /nfs/dbraw/zinc/64/03/88/596640388.db2.gz CUZBBLGAHPNVCG-GXTWGEPZSA-N 2 0 326.238 1.646 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C4=CC[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000863666587 596650988 /nfs/dbraw/zinc/65/09/88/596650988.db2.gz CYOJEGXUBDTONR-HNNXBMFYSA-N 2 0 340.431 1.778 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2F)CC1 ZINC000868037231 596663906 /nfs/dbraw/zinc/66/39/06/596663906.db2.gz BYDUEGTVVUIVGG-GOSISDBHSA-N 2 0 334.439 1.906 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)cc2)CC1 ZINC000868096379 596684711 /nfs/dbraw/zinc/68/47/11/596684711.db2.gz KUZHIIHBDVOGSF-HZPDHXFCSA-N 2 0 345.491 1.887 20 0 EDADRP COCCC1(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000868128193 596695813 /nfs/dbraw/zinc/69/58/13/596695813.db2.gz KTWCRICUWCISGM-UHFFFAOYSA-N 2 0 344.419 1.548 20 0 EDADRP COc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1N ZINC000868161527 596706339 /nfs/dbraw/zinc/70/63/39/596706339.db2.gz DLOKKYCIBIFPAV-ZIAGYGMSSA-N 2 0 349.479 1.481 20 0 EDADRP CO[C@@H]1CCC[C@H](CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018490 596710268 /nfs/dbraw/zinc/71/02/68/596710268.db2.gz BHHXZYORJHJJON-BSDSXHPESA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@H]2O)C[C@H]1C[NH+](C)C ZINC000870018771 596710667 /nfs/dbraw/zinc/71/06/67/596710667.db2.gz GVIWUQRTOCRWRN-YLFCFFPRSA-N 2 0 325.497 1.125 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(O)ccc2Cl)C[C@H]1C[NH+](C)C ZINC000870019453 596710825 /nfs/dbraw/zinc/71/08/25/596710825.db2.gz GCFQXWRNAZONTG-CHWSQXEVSA-N 2 0 339.867 1.857 20 0 EDADRP CC(=O)[C@@H](C)CCCCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020356 596711414 /nfs/dbraw/zinc/71/14/14/596711414.db2.gz NRTUHFISCNLYAR-CGTJXYLNSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C[C@H](C)[N@H+]1CCO ZINC000868175356 596711403 /nfs/dbraw/zinc/71/14/03/596711403.db2.gz CNSDMBSOSCLKPN-UWWPHRKUSA-N 2 0 332.448 1.420 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCO3)C[C@H]1C[NH+](C)C ZINC000870024180 596714105 /nfs/dbraw/zinc/71/41/05/596714105.db2.gz XDWLMUIWEFDBAH-IAGOWNOFSA-N 2 0 331.460 1.433 20 0 EDADRP CCn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C2CC2)n1 ZINC000870025840 596714469 /nfs/dbraw/zinc/71/44/69/596714469.db2.gz ZGHPCWSBZQOPTI-HZPDHXFCSA-N 2 0 347.507 1.592 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000868190041 596716983 /nfs/dbraw/zinc/71/69/83/596716983.db2.gz HXOGEQGPUUBLPQ-CYBMUJFWSA-N 2 0 342.394 1.269 20 0 EDADRP O=C1OCC[C@@H]1CCC[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000872245194 596852101 /nfs/dbraw/zinc/85/21/01/596852101.db2.gz ZUIZDMGVIRJCJD-PKOBYXMFSA-N 2 0 332.444 1.556 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872274800 596864834 /nfs/dbraw/zinc/86/48/34/596864834.db2.gz COJCMEIPNILGNZ-GJZGRUSLSA-N 2 0 333.480 1.624 20 0 EDADRP C[C@H](CCc1cccnc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000866373269 596868866 /nfs/dbraw/zinc/86/88/66/596868866.db2.gz MOQSGQJVAVYLDU-GOSISDBHSA-N 2 0 346.519 1.789 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccn1 ZINC000875708831 596955309 /nfs/dbraw/zinc/95/53/09/596955309.db2.gz JFKZDSQPAKCPHC-BRWVUGGUSA-N 2 0 347.507 1.566 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876029060 597068458 /nfs/dbraw/zinc/06/84/58/597068458.db2.gz JYCXXIBZFHOVFS-UHFFFAOYSA-N 2 0 328.501 1.110 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000874432003 597075440 /nfs/dbraw/zinc/07/54/40/597075440.db2.gz FKLPCUPDRPODIS-WCQYABFASA-N 2 0 336.402 1.638 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000874432703 597076745 /nfs/dbraw/zinc/07/67/45/597076745.db2.gz PPCLZBQJDTWHLU-FGTMMUONSA-N 2 0 328.460 1.797 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]4[C@H]3CCC[N@@H+]4C)n2)CC1 ZINC000874835132 597191901 /nfs/dbraw/zinc/19/19/01/597191901.db2.gz XDXQBPZGIXOPCL-IAGOWNOFSA-N 2 0 343.475 1.142 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH2+]Cc3cc4c(s3)CC[NH2+]C4)C2=O)n1 ZINC000873211926 597229801 /nfs/dbraw/zinc/22/98/01/597229801.db2.gz SNYRPCMCRBZPFE-AWEZNQCLSA-N 2 0 345.472 1.413 20 0 EDADRP CC(C)n1cc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cn1 ZINC000873218665 597231018 /nfs/dbraw/zinc/23/10/18/597231018.db2.gz NKUHYQLQPRAWBF-UHFFFAOYSA-N 2 0 325.420 1.793 20 0 EDADRP COCCC1([NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC[NH2+]CC1 ZINC000873224782 597232523 /nfs/dbraw/zinc/23/25/23/597232523.db2.gz MCEQOVWBPSOMOA-UHFFFAOYSA-N 2 0 331.460 1.827 20 0 EDADRP C[C@@H](Cc1ccco1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875080749 597273905 /nfs/dbraw/zinc/27/39/05/597273905.db2.gz CWFAAWANGCDDAZ-ARFHVFGLSA-N 2 0 336.480 1.591 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876717938 597303014 /nfs/dbraw/zinc/30/30/14/597303014.db2.gz IXXLFGNJWJTRPF-FUHWJXTLSA-N 2 0 333.451 1.977 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000876727759 597308659 /nfs/dbraw/zinc/30/86/59/597308659.db2.gz BNAXAQHLEVHKNY-HZPDHXFCSA-N 2 0 333.480 1.530 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2C[C@H]([NH3+])C2(C)C)ccc1OCC[NH+](C)C ZINC000876731699 597311323 /nfs/dbraw/zinc/31/13/23/597311323.db2.gz SOPLXLRPEAHMLF-YOEHRIQHSA-N 2 0 349.475 1.625 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875170990 597312861 /nfs/dbraw/zinc/31/28/61/597312861.db2.gz BSGFHLJMZLDBCH-INIZCTEOSA-N 2 0 330.476 1.854 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000876759298 597326189 /nfs/dbraw/zinc/32/61/89/597326189.db2.gz OJARTWUWVICDTG-ZBFHGGJFSA-N 2 0 341.471 1.474 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1csc(C2CC[NH2+]CC2)n1 ZINC000876793490 597341950 /nfs/dbraw/zinc/34/19/50/597341950.db2.gz FBVYSGPZSZCIAE-UHFFFAOYSA-N 2 0 343.456 1.903 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876918857 597384664 /nfs/dbraw/zinc/38/46/64/597384664.db2.gz NIZFPRCVAVYBNB-RHSMWYFYSA-N 2 0 346.475 1.283 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)COC1CC[NH2+]CC1 ZINC000877030962 597417634 /nfs/dbraw/zinc/41/76/34/597417634.db2.gz OKBGVALRAWAEGP-IEBWSBKVSA-N 2 0 343.471 1.898 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]([NH3+])c2ccccc2)C[C@H]1C[NH+](C)C ZINC000877143937 597442007 /nfs/dbraw/zinc/44/20/07/597442007.db2.gz YZZZDWAHOVWQOA-KZNAEPCWSA-N 3 0 332.492 1.274 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[NH2+]C1 ZINC000877155382 597445841 /nfs/dbraw/zinc/44/58/41/597445841.db2.gz UAHXTCMXJXKMAM-UONOGXRCSA-N 2 0 334.468 1.101 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)C[C@H]2[NH3+])cc1 ZINC000877238328 597474548 /nfs/dbraw/zinc/47/45/48/597474548.db2.gz FVXCUIHAMQIILS-MHORFTMASA-N 2 0 329.444 1.479 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245730 597477065 /nfs/dbraw/zinc/47/70/65/597477065.db2.gz JAQPJPNAWIHKJA-QKPAOTATSA-N 2 0 331.464 1.376 20 0 EDADRP CN1CCN(C(=O)c2ccccc2NC(=O)CN2CCCC2)CC1 ZINC000873983717 597478776 /nfs/dbraw/zinc/47/87/76/597478776.db2.gz OLXRFCDSIIHEPJ-UHFFFAOYSA-N 2 0 330.432 1.109 20 0 EDADRP COCCC1(NC(=O)c2cc(C3CC[NH2+]CC3)no2)CC[NH2+]CC1 ZINC000877268528 597483948 /nfs/dbraw/zinc/48/39/48/597483948.db2.gz JFRSFZRWRHOLRA-UHFFFAOYSA-N 2 0 336.436 1.030 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877353676 597499115 /nfs/dbraw/zinc/49/91/15/597499115.db2.gz SXKHXPSWBUXXAS-WRMBXCAGSA-N 2 0 325.456 1.432 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877389420 597507638 /nfs/dbraw/zinc/50/76/38/597507638.db2.gz CPGABTVINCZASP-ICSRJNTNSA-N 2 0 342.487 1.600 20 0 EDADRP COC(=O)N1CCC[C@@H]([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000877415396 597511955 /nfs/dbraw/zinc/51/19/55/597511955.db2.gz AQUVAXBCDDZGMB-LSDHHAIUSA-N 2 0 341.496 1.678 20 0 EDADRP COC(=O)c1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)oc1C ZINC000877669722 597546582 /nfs/dbraw/zinc/54/65/82/597546582.db2.gz WNAHGNUSWBDPOM-HUUCEWRRSA-N 2 0 337.464 1.546 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc3nccnc3c2)C[C@H]1C[NH+](C)C ZINC000877671176 597546607 /nfs/dbraw/zinc/54/66/07/597546607.db2.gz RJKTYNQKSMVAQZ-IAGOWNOFSA-N 2 0 327.476 1.801 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccc(S(N)(=O)=O)cc1)CC2 ZINC000877684026 597547489 /nfs/dbraw/zinc/54/74/89/597547489.db2.gz NRFUKGNVRGCUKP-UHFFFAOYSA-N 2 0 337.489 1.642 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000877728725 597551648 /nfs/dbraw/zinc/55/16/48/597551648.db2.gz SPGGJGWRFXJCHY-MRXNPFEDSA-N 2 0 326.481 1.397 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](CCCNC(=O)OC(C)(C)C)CC2)CC1 ZINC000877746838 597552935 /nfs/dbraw/zinc/55/29/35/597552935.db2.gz YYEIPTVCWDWAAL-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H](O)CC2(O)CCCC2)C1 ZINC000878158716 597583048 /nfs/dbraw/zinc/58/30/48/597583048.db2.gz LZKSZZDYSPOCRM-IRXDYDNUSA-N 2 0 328.497 1.475 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882979863 597605476 /nfs/dbraw/zinc/60/54/76/597605476.db2.gz PNRNEUNCLKIXSJ-CQSZACIVSA-N 2 0 333.432 1.749 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000878544891 597629574 /nfs/dbraw/zinc/62/95/74/597629574.db2.gz AZGICPKHNQAZER-KZNAEPCWSA-N 2 0 337.508 1.602 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1)c1ccccc1 ZINC000879580217 597641577 /nfs/dbraw/zinc/64/15/77/597641577.db2.gz FTLKZWMUSVFMHA-GBESFXJTSA-N 2 0 344.503 1.432 20 0 EDADRP COc1ccc(COCC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879592525 597649122 /nfs/dbraw/zinc/64/91/22/597649122.db2.gz JUGCSWSSGLLHJI-UHFFFAOYSA-N 2 0 347.503 1.924 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000878667981 597672946 /nfs/dbraw/zinc/67/29/46/597672946.db2.gz HDRVFVVMJUMYCR-UHFFFAOYSA-N 2 0 344.503 1.451 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825676 597725040 /nfs/dbraw/zinc/72/50/40/597725040.db2.gz KQFQIMWAANVEHU-MCIONIFRSA-N 2 0 329.485 1.580 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883652815 597848261 /nfs/dbraw/zinc/84/82/61/597848261.db2.gz CVYFBGNAWCRZMM-UHFFFAOYSA-N 2 0 338.496 1.051 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H]1CCCN(S(C)(=O)=O)C1)CC2 ZINC000879249450 597864684 /nfs/dbraw/zinc/86/46/84/597864684.db2.gz QLPFVTSCVATLSE-INIZCTEOSA-N 2 0 343.537 1.466 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)CC1(O)CCOCC1)CC2 ZINC000879251244 597864830 /nfs/dbraw/zinc/86/48/30/597864830.db2.gz RDGWVXGMWUWLDE-INIZCTEOSA-N 2 0 326.481 1.087 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C[C@H](C)[NH2+]1 ZINC000884030850 597972808 /nfs/dbraw/zinc/97/28/08/597972808.db2.gz ZJGNKISYQRPNSN-CWSCBRNRSA-N 2 0 326.238 1.658 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884124564 598001643 /nfs/dbraw/zinc/00/16/43/598001643.db2.gz ASRLVXLLSGCTTC-NXHRZFHOSA-N 2 0 343.475 1.929 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884196019 598023564 /nfs/dbraw/zinc/02/35/64/598023564.db2.gz FTOMPCMTRODPIM-UONOGXRCSA-N 2 0 340.265 1.905 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884208115 598029548 /nfs/dbraw/zinc/02/95/48/598029548.db2.gz QJWMCWTYZPOXEM-CYBMUJFWSA-N 2 0 344.253 1.143 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CC2(C)C)[C@@H](C)C1 ZINC000884220883 598033686 /nfs/dbraw/zinc/03/36/86/598033686.db2.gz DPGRQTZURDOPDW-JYJNAYRXSA-N 2 0 325.497 1.485 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000884223896 598034973 /nfs/dbraw/zinc/03/49/73/598034973.db2.gz BAJZZCFMZZZRHM-GOSISDBHSA-N 2 0 348.491 1.767 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884227161 598036439 /nfs/dbraw/zinc/03/64/39/598036439.db2.gz JSUOVHVYFLWPBD-QGZVFWFLSA-N 2 0 345.491 1.438 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000884243065 598041010 /nfs/dbraw/zinc/04/10/10/598041010.db2.gz UARHJFZYZQOSQJ-MRXNPFEDSA-N 2 0 326.444 1.640 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000884249099 598042764 /nfs/dbraw/zinc/04/27/64/598042764.db2.gz DFKOCTYLWLPCIE-UHFFFAOYSA-N 2 0 343.431 1.658 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884316500 598063279 /nfs/dbraw/zinc/06/32/79/598063279.db2.gz UOCSFLGWIJVYSJ-IAGOWNOFSA-N 2 0 343.475 1.048 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCC([NH3+])(CC)CC2)CC1 ZINC000884523863 598127493 /nfs/dbraw/zinc/12/74/93/598127493.db2.gz IJIXBMPVOOKXJM-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC000992743654 695264332 /nfs/dbraw/zinc/26/43/32/695264332.db2.gz PTFPWLODBLYNDL-USXIJHARSA-N 2 0 328.416 1.157 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000914219909 695284552 /nfs/dbraw/zinc/28/45/52/695284552.db2.gz DXGPMRWHXPFHRN-BBWFWOEESA-N 2 0 336.480 1.166 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cccnc3)[C@@H]2C1 ZINC000992910564 695443613 /nfs/dbraw/zinc/44/36/13/695443613.db2.gz UZEUEZCJTWOXQX-IPMKNSEASA-N 2 0 342.487 1.894 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@@H]2C1 ZINC000992907865 695444745 /nfs/dbraw/zinc/44/47/45/695444745.db2.gz OUAUEIHGRNTACO-ARFHVFGLSA-N 2 0 348.516 1.956 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCOCC3)[C@H]2C1 ZINC000992922357 695455569 /nfs/dbraw/zinc/45/55/69/695455569.db2.gz TUWMLMOQIXCKOL-GBESFXJTSA-N 2 0 349.519 1.726 20 0 EDADRP O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)NCC1CC[NH+](C2CC2)CC1 ZINC000915042380 695720600 /nfs/dbraw/zinc/72/06/00/695720600.db2.gz XRDDQXXIWXVQDJ-KRWDZBQOSA-N 2 0 341.521 1.266 20 0 EDADRP O=C(NC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1)C1CC[NH+](CC2CC2)CC1 ZINC001031234269 695926580 /nfs/dbraw/zinc/92/65/80/695926580.db2.gz ATGMEYMBNKXHNA-FXAWDEMLSA-N 2 0 347.503 1.335 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915642956 695961946 /nfs/dbraw/zinc/96/19/46/695961946.db2.gz JMYIUZRVLSYQJS-BBWFWOEESA-N 2 0 341.521 1.361 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CCCF ZINC000993371573 696019757 /nfs/dbraw/zinc/01/97/57/696019757.db2.gz ZYHLLOWRNUUBOT-CABCVRRESA-N 2 0 339.459 1.387 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCn1cccn1 ZINC000993728246 696354747 /nfs/dbraw/zinc/35/47/47/696354747.db2.gz HOLOWGFQECRNGC-WBVHZDCISA-N 2 0 333.480 1.194 20 0 EDADRP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccn1 ZINC000993767066 696363739 /nfs/dbraw/zinc/36/37/39/696363739.db2.gz XPLAZIIPQQOGPN-MAUKXSAKSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccn1 ZINC000993767070 696363762 /nfs/dbraw/zinc/36/37/62/696363762.db2.gz XPLAZIIPQQOGPN-YJBOKZPZSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+](C)C1CC1 ZINC000916851833 696803013 /nfs/dbraw/zinc/80/30/13/696803013.db2.gz SCBRICSUEIZFRE-SNPRPXQTSA-N 2 0 326.510 1.348 20 0 EDADRP CN1CCO[C@@H](C(=O)N2CCC(C)([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000940024340 700122833 /nfs/dbraw/zinc/12/28/33/700122833.db2.gz GQCNNYOMXSVKKJ-CQSZACIVSA-N 2 0 345.434 1.333 20 0 EDADRP C[NH+]1CCC(NC(=S)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000920309649 697419615 /nfs/dbraw/zinc/41/96/15/697419615.db2.gz JKJXRXMCALPFFC-MRXNPFEDSA-N 2 0 340.537 1.142 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031669734 697465467 /nfs/dbraw/zinc/46/54/67/697465467.db2.gz RZQLFMOIYSTCLX-ROUUACIJSA-N 2 0 335.492 1.335 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1)C1CCC1 ZINC001031675223 697485008 /nfs/dbraw/zinc/48/50/08/697485008.db2.gz ZOOFAKPAAPSQAK-MSOLQXFVSA-N 2 0 335.492 1.191 20 0 EDADRP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688477 697523571 /nfs/dbraw/zinc/52/35/71/697523571.db2.gz GEGOSCMIGGDVTC-ROUUACIJSA-N 2 0 347.503 1.478 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001031706842 697691600 /nfs/dbraw/zinc/69/16/00/697691600.db2.gz HOAXKRYHEIQVAB-UHFFFAOYSA-N 2 0 347.488 1.368 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031713892 697740320 /nfs/dbraw/zinc/74/03/20/697740320.db2.gz HRBPVVFENMVIQT-RBUKOAKNSA-N 2 0 345.487 1.642 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727378 697953720 /nfs/dbraw/zinc/95/37/20/697953720.db2.gz FPUPQLQHXXZVJP-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC1C[NH+](CC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001031730057 698064720 /nfs/dbraw/zinc/06/47/20/698064720.db2.gz CKTOPPYOMJZGEO-SFHVURJKSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000940109195 700222054 /nfs/dbraw/zinc/22/20/54/700222054.db2.gz OFUONRFZHMUJEH-INIZCTEOSA-N 2 0 349.479 1.722 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115611 700230799 /nfs/dbraw/zinc/23/07/99/700230799.db2.gz OUDZHRYTHKQZKW-MRXNPFEDSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CC[NH2+]CC1 ZINC000238049077 698658827 /nfs/dbraw/zinc/65/88/27/698658827.db2.gz VOYTVSMHHNZNEU-INIZCTEOSA-N 2 0 331.416 1.534 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C[C@H]2C)CC1 ZINC000943756429 698831519 /nfs/dbraw/zinc/83/15/19/698831519.db2.gz PSVIMVTWEKUAPQ-AEFFLSMTSA-N 2 0 347.507 1.479 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000446264938 699035529 /nfs/dbraw/zinc/03/55/29/699035529.db2.gz MTLJNCZSNIOLDO-UHFFFAOYSA-N 2 0 329.404 1.248 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764732 699049781 /nfs/dbraw/zinc/04/97/81/699049781.db2.gz MIQOTUVRDKTDOA-QGZVFWFLSA-N 2 0 349.519 1.727 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031775871 699147989 /nfs/dbraw/zinc/14/79/89/699147989.db2.gz BEIIRJMDXFXIJX-ZWKOTPCHSA-N 2 0 331.460 1.252 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C1CCCC1 ZINC001031776929 699170650 /nfs/dbraw/zinc/17/06/50/699170650.db2.gz QVOLONXCRAMYOZ-QZTJIDSGSA-N 2 0 337.508 1.724 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941533752 701573583 /nfs/dbraw/zinc/57/35/83/701573583.db2.gz HPUJMWWXUQBUPS-IRXDYDNUSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939133299 699217943 /nfs/dbraw/zinc/21/79/43/699217943.db2.gz QRCSEFRWTGKDHS-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1nccn1C ZINC000939398898 699548018 /nfs/dbraw/zinc/54/80/18/699548018.db2.gz SRXWTKGPAZVBDI-JKSUJKDBSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939423468 699559194 /nfs/dbraw/zinc/55/91/94/699559194.db2.gz QFGDNIALXVBGTL-YJBOKZPZSA-N 2 0 346.475 1.129 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cccnc1 ZINC000939423466 699559228 /nfs/dbraw/zinc/55/92/28/699559228.db2.gz QFGDNIALXVBGTL-MAUKXSAKSA-N 2 0 346.475 1.129 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCCC1 ZINC000939424527 699574187 /nfs/dbraw/zinc/57/41/87/699574187.db2.gz XQMMRAIMWLGAIK-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)c(C)s1 ZINC000939535627 699676464 /nfs/dbraw/zinc/67/64/64/699676464.db2.gz RALWYXZFSOPLPY-MEDUHNTESA-N 2 0 347.488 1.673 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939547045 699689137 /nfs/dbraw/zinc/68/91/37/699689137.db2.gz VZWSYGMZJJQDQD-WMLDXEAASA-N 2 0 331.435 1.858 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000939549799 699689211 /nfs/dbraw/zinc/68/92/11/699689211.db2.gz CYXOKFAGAMIONW-RDJZCZTQSA-N 2 0 335.492 1.335 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cncs1 ZINC000939550652 699699837 /nfs/dbraw/zinc/69/98/37/699699837.db2.gz NKNRBYWEFKSKHJ-IUODEOHRSA-N 2 0 345.472 1.854 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939753493 699903005 /nfs/dbraw/zinc/90/30/05/699903005.db2.gz GDBBZYMUAQBGCN-YOEHRIQHSA-N 2 0 333.480 1.032 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCn1cc(Cl)cn1 ZINC000939753546 699903044 /nfs/dbraw/zinc/90/30/44/699903044.db2.gz GSCSLNZEZDJLJH-DZGCQCFKSA-N 2 0 339.871 1.069 20 0 EDADRP CCOc1cccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939754133 699904283 /nfs/dbraw/zinc/90/42/83/699904283.db2.gz LECIRXCESKMHGK-WBVHZDCISA-N 2 0 346.475 1.513 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000353633700 699951255 /nfs/dbraw/zinc/95/12/55/699951255.db2.gz WZLMSERSGDUVSR-MOPGFXCFSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939808965 699957650 /nfs/dbraw/zinc/95/76/50/699957650.db2.gz HFTMPRZSQICEJR-HOCLYGCPSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810025 699958332 /nfs/dbraw/zinc/95/83/32/699958332.db2.gz KPJLDETWZFKKIY-GDBMZVCRSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940149234 700281953 /nfs/dbraw/zinc/28/19/53/700281953.db2.gz HXBIUSXXRAXHCT-OAHLLOKOSA-N 2 0 335.452 1.189 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995167190 701634334 /nfs/dbraw/zinc/63/43/34/701634334.db2.gz IHQUTYQNGULOFW-CABCVRRESA-N 2 0 348.516 1.922 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000995053731 700401625 /nfs/dbraw/zinc/40/16/25/700401625.db2.gz ICQGMCHEQLABJI-GJZGRUSLSA-N 2 0 349.479 1.627 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000940247247 700411908 /nfs/dbraw/zinc/41/19/08/700411908.db2.gz BFSYKMMBMHRVPZ-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000940307284 700489254 /nfs/dbraw/zinc/48/92/54/700489254.db2.gz SFIWBODDGLDZHJ-CQSZACIVSA-N 2 0 339.509 1.595 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940327612 700504698 /nfs/dbraw/zinc/50/46/98/700504698.db2.gz KQUYDZREIKGIKV-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000940328581 700507028 /nfs/dbraw/zinc/50/70/28/700507028.db2.gz KZSFGYNDEDQNJS-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940426739 700620705 /nfs/dbraw/zinc/62/07/05/700620705.db2.gz ZVRGYSBDGWXDCS-INIZCTEOSA-N 2 0 330.476 1.894 20 0 EDADRP CC1([NH2+]Cc2cccnc2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427195 700621174 /nfs/dbraw/zinc/62/11/74/700621174.db2.gz CAMIIGARPVNDGB-UHFFFAOYSA-N 2 0 328.460 1.648 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940472497 700657838 /nfs/dbraw/zinc/65/78/38/700657838.db2.gz YXHRFNVZUFJMIC-KRWDZBQOSA-N 2 0 347.507 1.765 20 0 EDADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940617505 700799346 /nfs/dbraw/zinc/79/93/46/700799346.db2.gz KZWYJLWJXRVORA-SJORKVTESA-N 2 0 347.507 1.274 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC000995099836 700886007 /nfs/dbraw/zinc/88/60/07/700886007.db2.gz APNGYFPTYHDRCC-LSDHHAIUSA-N 2 0 349.479 1.484 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863899 700946302 /nfs/dbraw/zinc/94/63/02/700946302.db2.gz HKWZXPUJSLVDNC-CVEARBPZSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973879 701015969 /nfs/dbraw/zinc/01/59/69/701015969.db2.gz YKUQQQFSUKBGRG-JKSUJKDBSA-N 2 0 325.497 1.317 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941028281 701068442 /nfs/dbraw/zinc/06/84/42/701068442.db2.gz KSXKHKIHMJMRRO-HOTGVXAUSA-N 2 0 339.524 1.970 20 0 EDADRP Cn1nccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995117249 701074493 /nfs/dbraw/zinc/07/44/93/701074493.db2.gz BISNLLDZFJIKNQ-IAGOWNOFSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168496 706596140 /nfs/dbraw/zinc/59/61/40/706596140.db2.gz BQFULBWYEYQKFJ-IRXDYDNUSA-N 2 0 332.448 1.405 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031931541 701381219 /nfs/dbraw/zinc/38/12/19/701381219.db2.gz KNXCWOQRMFFBAO-QGZVFWFLSA-N 2 0 349.475 1.962 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](Cc3cccnc3)CC2(C)C)C1 ZINC000941218451 701409210 /nfs/dbraw/zinc/40/92/10/701409210.db2.gz XXAAHJWZTUZAQY-DLBZAZTESA-N 2 0 330.476 1.750 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999170704 706600418 /nfs/dbraw/zinc/60/04/18/706600418.db2.gz RKVVWABCEZIERF-IRXDYDNUSA-N 2 0 332.448 1.405 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995136460 701444570 /nfs/dbraw/zinc/44/45/70/701444570.db2.gz VPQPIMJCBAXERR-GJZGRUSLSA-N 2 0 335.452 1.176 20 0 EDADRP CCO[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C[NH+](C)C ZINC000921677951 706601801 /nfs/dbraw/zinc/60/18/01/706601801.db2.gz HCVGLLLCJDPBAE-FGTMMUONSA-N 2 0 348.491 1.698 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408541 701521049 /nfs/dbraw/zinc/52/10/49/701521049.db2.gz KFWGJJQZPMRQEN-SJORKVTESA-N 2 0 334.508 1.099 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)C1 ZINC000941433211 701538942 /nfs/dbraw/zinc/53/89/42/701538942.db2.gz REFCOTAZEJKNST-QGZVFWFLSA-N 2 0 336.524 1.201 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436871 701540103 /nfs/dbraw/zinc/54/01/03/701540103.db2.gz JQVGNPWEHMEZDL-MRXNPFEDSA-N 2 0 336.524 1.345 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456668 701543166 /nfs/dbraw/zinc/54/31/66/701543166.db2.gz RWMSZTAGFUNBDL-FUHWJXTLSA-N 2 0 334.508 1.242 20 0 EDADRP CC(C)[NH+]1CCC2(CCN(C(=O)[C@@H](C)C[NH+]3CCOCC3)C2)CC1 ZINC001040941441 701799492 /nfs/dbraw/zinc/79/94/92/701799492.db2.gz MIRAPRIQFWMVAE-KRWDZBQOSA-N 2 0 337.508 1.678 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999177186 706619985 /nfs/dbraw/zinc/61/99/85/706619985.db2.gz XIMRMWISLVHMPM-MOPGFXCFSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031976792 701921276 /nfs/dbraw/zinc/92/12/76/701921276.db2.gz SNMIURLCJDFBFU-RDTXWAMCSA-N 2 0 349.450 1.450 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC000944047397 702012151 /nfs/dbraw/zinc/01/21/51/702012151.db2.gz RNMYJINADKXWPK-CRAIPNDOSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995841283 702121536 /nfs/dbraw/zinc/12/15/36/702121536.db2.gz QUPNHDRUVUMYOG-BBWFWOEESA-N 2 0 347.507 1.440 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC000999203452 706648471 /nfs/dbraw/zinc/64/84/71/706648471.db2.gz BQEBFZJAZSGJLR-HYVNUMGLSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995965576 702311627 /nfs/dbraw/zinc/31/16/27/702311627.db2.gz CUAQDONMUIAEDR-IAGOWNOFSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)ncn1 ZINC000995975041 702331545 /nfs/dbraw/zinc/33/15/45/702331545.db2.gz IMGDBGANHXYSKW-SJORKVTESA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]Cc1cnns1 ZINC000995996669 702375025 /nfs/dbraw/zinc/37/50/25/702375025.db2.gz LONRHSUBWMAHLA-AWEZNQCLSA-N 2 0 349.504 1.493 20 0 EDADRP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942057514 702507310 /nfs/dbraw/zinc/50/73/10/702507310.db2.gz NQFAXNVEYIYFMS-IRXDYDNUSA-N 2 0 347.507 1.851 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996134971 702564841 /nfs/dbraw/zinc/56/48/41/702564841.db2.gz MCASCQQWLUVBJI-MRXNPFEDSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996199460 702625953 /nfs/dbraw/zinc/62/59/53/702625953.db2.gz SPKIJWWKTNPDSH-ZBFHGGJFSA-N 2 0 349.475 1.818 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996299872 702690636 /nfs/dbraw/zinc/69/06/36/702690636.db2.gz FZSLOHOFGNRJOT-NVXWUHKLSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300210 702691890 /nfs/dbraw/zinc/69/18/90/702691890.db2.gz KHWJJHNMXAWGRP-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996300475 702692297 /nfs/dbraw/zinc/69/22/97/702692297.db2.gz MTVFHYJNZOAMMD-GOEBONIOSA-N 2 0 348.495 1.109 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996301189 702692964 /nfs/dbraw/zinc/69/29/64/702692964.db2.gz RLXKVAGTUWCMGM-NVXWUHKLSA-N 2 0 330.476 1.893 20 0 EDADRP CC(C)c1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC000995213062 702708148 /nfs/dbraw/zinc/70/81/48/702708148.db2.gz PRAPTGDWYHBDOY-HUUCEWRRSA-N 2 0 348.495 1.398 20 0 EDADRP Cc1ccnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995219438 702760643 /nfs/dbraw/zinc/76/06/43/702760643.db2.gz YORJKCFQDBFABX-HOTGVXAUSA-N 2 0 331.464 1.255 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996463608 702791196 /nfs/dbraw/zinc/79/11/96/702791196.db2.gz JKNXAATUZRMQAC-SFHVURJKSA-N 2 0 345.491 1.738 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996464638 702791936 /nfs/dbraw/zinc/79/19/36/702791936.db2.gz OHEBOMJVDCRIFO-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506364 702827227 /nfs/dbraw/zinc/82/72/27/702827227.db2.gz LJYNOEVTFYOURJ-HOTGVXAUSA-N 2 0 325.497 1.460 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996519176 702855074 /nfs/dbraw/zinc/85/50/74/702855074.db2.gz NOZFZTJMAJZTHV-HOCLYGCPSA-N 2 0 334.464 1.651 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1 ZINC000996521664 702856988 /nfs/dbraw/zinc/85/69/88/702856988.db2.gz TVBQUUAIQXAGEY-JCYILVPMSA-N 2 0 349.519 1.724 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000996601863 702908844 /nfs/dbraw/zinc/90/88/44/702908844.db2.gz ANOGQZIBVRDXRY-ZWKOTPCHSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996608240 702911444 /nfs/dbraw/zinc/91/14/44/702911444.db2.gz GZFFXUUSXWKDAV-YOEHRIQHSA-N 2 0 348.491 1.824 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000996608350 702911593 /nfs/dbraw/zinc/91/15/93/702911593.db2.gz RWSLZJYHFVRUIB-KBAYOESNSA-N 2 0 337.508 1.866 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996609548 702920724 /nfs/dbraw/zinc/92/07/24/702920724.db2.gz HSTWUJGZTZCNNN-INIZCTEOSA-N 2 0 334.464 1.659 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2CC)CC1 ZINC000996659948 702957258 /nfs/dbraw/zinc/95/72/58/702957258.db2.gz HHBYNTKKDVGBPT-KRWDZBQOSA-N 2 0 348.495 1.253 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000996664477 702966848 /nfs/dbraw/zinc/96/68/48/702966848.db2.gz WIQACPMFFPBGFN-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCn1cccn1 ZINC000996671806 702972664 /nfs/dbraw/zinc/97/26/64/702972664.db2.gz NHUTXGDTTMPBGM-QGZVFWFLSA-N 2 0 347.507 1.586 20 0 EDADRP Cc1noc([C@H](C)NC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996676320 702975320 /nfs/dbraw/zinc/97/53/20/702975320.db2.gz HAALKMYUZKQCIN-XHDPSFHLSA-N 2 0 335.452 1.360 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996678483 702977379 /nfs/dbraw/zinc/97/73/79/702977379.db2.gz NWICCYRYPHINAL-GOSISDBHSA-N 2 0 330.476 1.811 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1)[NH+](C)C ZINC000996693813 702991220 /nfs/dbraw/zinc/99/12/20/702991220.db2.gz RORRXYJXFUAJGK-KRWDZBQOSA-N 2 0 335.496 1.129 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ccon2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996719850 703013580 /nfs/dbraw/zinc/01/35/80/703013580.db2.gz BOBHSCQAPPAPQW-UHFFFAOYSA-N 2 0 332.448 1.631 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996721013 703016424 /nfs/dbraw/zinc/01/64/24/703016424.db2.gz WJQOQSREHWESQF-IAGOWNOFSA-N 2 0 332.448 1.772 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996725125 703019885 /nfs/dbraw/zinc/01/98/85/703019885.db2.gz SBOBXHVESDGQNM-UKRRQHHQSA-N 2 0 348.495 1.493 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1cnccn1 ZINC000996726087 703021197 /nfs/dbraw/zinc/02/11/97/703021197.db2.gz WEUIOMCRBOOJGA-YOEHRIQHSA-N 2 0 331.464 1.603 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996755114 703043951 /nfs/dbraw/zinc/04/39/51/703043951.db2.gz APZTYJBOOQPAMS-INIZCTEOSA-N 2 0 348.495 1.016 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000996765935 703057110 /nfs/dbraw/zinc/05/71/10/703057110.db2.gz WXQBWSYAMYAGAE-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996797568 703089807 /nfs/dbraw/zinc/08/98/07/703089807.db2.gz FZGIDFLABGFZQP-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncs2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598044 703112673 /nfs/dbraw/zinc/11/26/73/703112673.db2.gz QOXNLLPKVSTLBM-CJNGLKHVSA-N 2 0 336.505 1.812 20 0 EDADRP CC(C)[NH2+]C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C(F)(F)F ZINC000996855823 703134154 /nfs/dbraw/zinc/13/41/54/703134154.db2.gz IZWPVKVVYKVZEI-CHWSQXEVSA-N 2 0 333.398 1.717 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996856880 703134906 /nfs/dbraw/zinc/13/49/06/703134906.db2.gz KLCXGIVALJFWMX-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)no1 ZINC000996861454 703144529 /nfs/dbraw/zinc/14/45/29/703144529.db2.gz ZNZQLMTVQULLIG-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N(Cc2cccnc2)C[C@@H]2CC[NH+](CCF)C2)C1 ZINC000995267415 703187568 /nfs/dbraw/zinc/18/75/68/703187568.db2.gz KUNOPABANYJRKD-QZTJIDSGSA-N 2 0 348.466 1.653 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996977405 703242163 /nfs/dbraw/zinc/24/21/63/703242163.db2.gz ILFCSLOVSDDGHW-KDOFPFPSSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996999016 703256056 /nfs/dbraw/zinc/25/60/56/703256056.db2.gz LLKAXEHDYKQQTB-INIZCTEOSA-N 2 0 345.487 1.744 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997004123 703261129 /nfs/dbraw/zinc/26/11/29/703261129.db2.gz BSMDACJZSZMFNF-GUYCJALGSA-N 2 0 348.491 1.824 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)[nH]1 ZINC000997004155 703261137 /nfs/dbraw/zinc/26/11/37/703261137.db2.gz BVDMOTSMJYBWTC-UKRRQHHQSA-N 2 0 348.495 1.206 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC000997057175 703302908 /nfs/dbraw/zinc/30/29/08/703302908.db2.gz JQSUHGDFCCVNHA-CYBMUJFWSA-N 2 0 349.479 1.752 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1)[NH+]1CCCCCC1 ZINC000997072498 703316684 /nfs/dbraw/zinc/31/66/84/703316684.db2.gz OKMNRCIKPYKSRQ-INIZCTEOSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)[nH]1 ZINC000997086584 703332171 /nfs/dbraw/zinc/33/21/71/703332171.db2.gz ADHWPBAQXOBDPK-JKSUJKDBSA-N 2 0 346.479 1.211 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997119409 703376168 /nfs/dbraw/zinc/37/61/68/703376168.db2.gz IHVOQNLWLUSTAZ-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997180381 703470519 /nfs/dbraw/zinc/47/05/19/703470519.db2.gz QGPQNTOOUKAHFG-ZIAGYGMSSA-N 2 0 349.479 1.615 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)sn1 ZINC000997185867 703475032 /nfs/dbraw/zinc/47/50/32/703475032.db2.gz GEEFYDIEKUZQNJ-UHFFFAOYSA-N 2 0 334.489 1.628 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ccc(F)cn2)CC1)C12CC[NH+](CC1)C2 ZINC000997194311 703491487 /nfs/dbraw/zinc/49/14/87/703491487.db2.gz QWPJWYSUVVGTDO-UHFFFAOYSA-N 2 0 332.423 1.397 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C(C)(C)C)c3)CC2)C1 ZINC000997300434 703544040 /nfs/dbraw/zinc/54/40/40/703544040.db2.gz VATYKMMQJZREMM-MRXNPFEDSA-N 2 0 347.507 1.670 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997360653 703591027 /nfs/dbraw/zinc/59/10/27/703591027.db2.gz QFKYCBXPISGYHD-HZPDHXFCSA-N 2 0 347.507 1.856 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1 ZINC000997367088 703601348 /nfs/dbraw/zinc/60/13/48/703601348.db2.gz JWXWSDJKASHQBN-XLIONFOSSA-N 2 0 349.519 1.870 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000997420416 703670145 /nfs/dbraw/zinc/67/01/45/703670145.db2.gz ITHRIARMMCAULL-GDBMZVCRSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997420320 703670287 /nfs/dbraw/zinc/67/02/87/703670287.db2.gz HEZYTIGLLXRVPL-CRAIPNDOSA-N 2 0 330.476 1.750 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1)C12CCC[NH+]1CCC2 ZINC001032498392 703797288 /nfs/dbraw/zinc/79/72/88/703797288.db2.gz RPSLSIXQWZVDCQ-BZSNNMDCSA-N 2 0 347.503 1.717 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032500907 703817454 /nfs/dbraw/zinc/81/74/54/703817454.db2.gz KTCCIOIJWICNBY-ROUUACIJSA-N 2 0 340.427 1.660 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999274319 706766579 /nfs/dbraw/zinc/76/65/79/706766579.db2.gz NQSFACQNTYEQDL-JSGCOSHPSA-N 2 0 325.478 1.385 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000997608198 703904913 /nfs/dbraw/zinc/90/49/13/703904913.db2.gz SAEPTLOBLWDJCE-INIZCTEOSA-N 2 0 331.464 1.207 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)ccn1 ZINC000995550068 703927954 /nfs/dbraw/zinc/92/79/54/703927954.db2.gz HKVHKDQWPFRAIO-HOTGVXAUSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995550584 703954173 /nfs/dbraw/zinc/95/41/73/703954173.db2.gz JUZJEFKWIJSGDQ-HOTGVXAUSA-N 2 0 331.464 1.206 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922547938 703954312 /nfs/dbraw/zinc/95/43/12/703954312.db2.gz SNJOFQSPTKHUOV-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997660617 703985047 /nfs/dbraw/zinc/98/50/47/703985047.db2.gz XHBBBCBDNCVBPI-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591339 704192074 /nfs/dbraw/zinc/19/20/74/704192074.db2.gz UCOLPBBKYQAVHY-GDAAHCPNSA-N 2 0 349.519 1.534 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCOC2)CC1 ZINC001032710723 706799396 /nfs/dbraw/zinc/79/93/96/706799396.db2.gz NPSGEBIXNDERNS-WDSOQIARSA-N 2 0 349.519 1.819 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306676 706811730 /nfs/dbraw/zinc/81/17/30/706811730.db2.gz LDHNNVIZAKCBFY-IAGOWNOFSA-N 2 0 333.480 1.375 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000922846552 704422027 /nfs/dbraw/zinc/42/20/27/704422027.db2.gz MXHIOHJKQJIJJL-UHFFFAOYSA-N 2 0 327.450 1.424 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004456876 704450418 /nfs/dbraw/zinc/45/04/18/704450418.db2.gz ICYZYQVHJCDVGP-QAPCUYQASA-N 2 0 337.508 1.555 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1CCC1CCOCC1 ZINC000947933401 704554471 /nfs/dbraw/zinc/55/44/71/704554471.db2.gz AAOJJZUHXHONKU-FUHWJXTLSA-N 2 0 349.519 1.868 20 0 EDADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538242 704587781 /nfs/dbraw/zinc/58/77/81/704587781.db2.gz OCAPVUPGUYDPCG-SZMVWBNQSA-N 2 0 345.487 1.724 20 0 EDADRP CC[C@H](C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000997708506 704599811 /nfs/dbraw/zinc/59/98/11/704599811.db2.gz QXHOVHCTRRQLSG-USXIJHARSA-N 2 0 325.497 1.722 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997783040 704687569 /nfs/dbraw/zinc/68/75/69/704687569.db2.gz BTDFHNVHKRCMME-QGZVFWFLSA-N 2 0 332.448 1.345 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1 ZINC000997783886 704694358 /nfs/dbraw/zinc/69/43/58/704694358.db2.gz MCOGRUMREQVESK-IEBWSBKVSA-N 2 0 349.519 1.583 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830659 704748255 /nfs/dbraw/zinc/74/82/55/704748255.db2.gz LJLFELXVYDWCIF-SFHVURJKSA-N 2 0 345.491 1.453 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CC1 ZINC000997830694 704751068 /nfs/dbraw/zinc/75/10/68/704751068.db2.gz MGBYFSRAOFXYET-INIZCTEOSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997831084 704751308 /nfs/dbraw/zinc/75/13/08/704751308.db2.gz QCGVDHIJPKMIQY-BLLLJJGKSA-N 2 0 349.479 1.607 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)on1 ZINC000997836200 704753739 /nfs/dbraw/zinc/75/37/39/704753739.db2.gz HEGVWGVTTZNMIF-HNNXBMFYSA-N 2 0 346.475 1.796 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000997857194 704769841 /nfs/dbraw/zinc/76/98/41/704769841.db2.gz XYSCPFXWPYBWIP-CQSZACIVSA-N 2 0 325.482 1.207 20 0 EDADRP CCn1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000997866846 704772143 /nfs/dbraw/zinc/77/21/43/704772143.db2.gz VJSZVJGCRHUQPZ-KRWDZBQOSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944920613 704772994 /nfs/dbraw/zinc/77/29/94/704772994.db2.gz VFKGQULXTPWCSI-BBRMVZONSA-N 2 0 336.505 1.874 20 0 EDADRP CCCc1noc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944943220 704795459 /nfs/dbraw/zinc/79/54/59/704795459.db2.gz GEUMWADZWYZLKM-HUUCEWRRSA-N 2 0 349.479 1.445 20 0 EDADRP C[C@H]1CN(Cc2nnc(C3CC3)o2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944944260 704797021 /nfs/dbraw/zinc/79/70/21/704797021.db2.gz LTQVWIZABQOXFY-DZGCQCFKSA-N 2 0 347.463 1.369 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000945029623 704956954 /nfs/dbraw/zinc/95/69/54/704956954.db2.gz UYWXUWDUCISWCU-QAPCUYQASA-N 2 0 333.476 1.835 20 0 EDADRP CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H]1CCCN(Cc2cn(C)nn2)CC1 ZINC000997951671 705070688 /nfs/dbraw/zinc/07/06/88/705070688.db2.gz YTRFBRMTNNEKRK-DLBZAZTESA-N 2 0 348.495 1.112 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000998079648 705303805 /nfs/dbraw/zinc/30/38/05/705303805.db2.gz SNRISOVITXPCLN-KBXCAEBGSA-N 2 0 345.491 1.311 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998083138 705311956 /nfs/dbraw/zinc/31/19/56/705311956.db2.gz VNOASFTZZHNEHR-RDJZCZTQSA-N 2 0 347.507 1.429 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998215511 705536451 /nfs/dbraw/zinc/53/64/51/705536451.db2.gz ANLWBAATVGEDCN-QGZVFWFLSA-N 2 0 345.491 1.455 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998216738 705538881 /nfs/dbraw/zinc/53/88/81/705538881.db2.gz KIBRFAMGOYENDG-KRWDZBQOSA-N 2 0 347.507 1.573 20 0 EDADRP CCc1noc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001032612152 705587325 /nfs/dbraw/zinc/58/73/25/705587325.db2.gz WPXDLJNZBIUAIJ-RLFYNMQTSA-N 2 0 348.491 1.917 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000998267345 705641994 /nfs/dbraw/zinc/64/19/94/705641994.db2.gz WQLUFVPKKWQEIZ-IBGZPJMESA-N 2 0 345.487 1.459 20 0 EDADRP CCCn1ncnc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998269245 705643275 /nfs/dbraw/zinc/64/32/75/705643275.db2.gz KLQQMKUPNKFALO-UHFFFAOYSA-N 2 0 348.495 1.112 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998269945 705647377 /nfs/dbraw/zinc/64/73/77/705647377.db2.gz RQUIEDNLAZBGIJ-UHFFFAOYSA-N 2 0 333.480 1.153 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000998271663 705651560 /nfs/dbraw/zinc/65/15/60/705651560.db2.gz ANHZLLSTISLACB-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000998287579 705682313 /nfs/dbraw/zinc/68/23/13/705682313.db2.gz OLRNZFPUDXFFGN-INIZCTEOSA-N 2 0 348.495 1.018 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC(NCc2csc(Cl)n2)C1 ZINC000998550631 705986872 /nfs/dbraw/zinc/98/68/72/705986872.db2.gz NUBUHKGWTPJPFL-GDKBPFBDSA-N 2 0 342.896 1.970 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998723974 706156072 /nfs/dbraw/zinc/15/60/72/706156072.db2.gz SXUNJMSRCNTVIQ-GOEBONIOSA-N 2 0 336.505 1.935 20 0 EDADRP CC(C)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000998899063 706327053 /nfs/dbraw/zinc/32/70/53/706327053.db2.gz PZFLBLDDKBRPMN-VMWRSERWSA-N 2 0 337.508 1.865 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998902507 706339080 /nfs/dbraw/zinc/33/90/80/706339080.db2.gz VNXWVQVRFRPNDD-LXPRWKDFSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1nonc1CNC1CC(N(C)C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000998988329 706420101 /nfs/dbraw/zinc/42/01/01/706420101.db2.gz GXTWDXTXJPFYTA-UHFFFAOYSA-N 2 0 340.387 1.647 20 0 EDADRP Cc1nc(CNC2CC(N(C)C(=O)C34CCC[NH+](CCC3)C4)C2)co1 ZINC000998988592 706420733 /nfs/dbraw/zinc/42/07/33/706420733.db2.gz VMPBUNBXKZHLAF-UHFFFAOYSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1 ZINC000999354537 706843540 /nfs/dbraw/zinc/84/35/40/706843540.db2.gz QJBHZKFWIVEOBR-DLBZAZTESA-N 2 0 348.495 1.122 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999347248 706858600 /nfs/dbraw/zinc/85/86/00/706858600.db2.gz HUDVKIFGLPRRNF-ROUUACIJSA-N 2 0 347.507 1.479 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999349283 706861380 /nfs/dbraw/zinc/86/13/80/706861380.db2.gz SGQWMNHHPIVHRR-OAHLLOKOSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999373832 706868519 /nfs/dbraw/zinc/86/85/19/706868519.db2.gz RIIGBMKJFHWRKI-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362239 706875723 /nfs/dbraw/zinc/87/57/23/706875723.db2.gz AJABAFSBNZXSBT-AEFFLSMTSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999367004 706880925 /nfs/dbraw/zinc/88/09/25/706880925.db2.gz DFAYJFSUOMOQCI-IAGOWNOFSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999371970 706886601 /nfs/dbraw/zinc/88/66/01/706886601.db2.gz NQNFLDKBAJYTAP-HOCLYGCPSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC000999404191 706913070 /nfs/dbraw/zinc/91/30/70/706913070.db2.gz UADPTYYXYBQVSN-UWTIGNOOSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)c(C)o1 ZINC000999407368 706916980 /nfs/dbraw/zinc/91/69/80/706916980.db2.gz UNKCFLZIHUCRGW-UWTIGNOOSA-N 2 0 334.464 1.855 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)s1 ZINC000999408353 706918094 /nfs/dbraw/zinc/91/80/94/706918094.db2.gz JGPZSCWMCZOUHI-LRVUVFPRSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)sn1 ZINC000999408635 706918439 /nfs/dbraw/zinc/91/84/39/706918439.db2.gz MJPUMRCIIYACLZ-LRVUVFPRSA-N 2 0 336.505 1.872 20 0 EDADRP Cn1nncc1C[NH2+][C@H]1CCCN(C(=O)c2cc3c[nH]ccc-3n2)C1 ZINC000999501071 706998793 /nfs/dbraw/zinc/99/87/93/706998793.db2.gz FAVLBQYIIMPXRC-ZDUSSCGKSA-N 2 0 339.403 1.086 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1)[NH+]1CCCCCC1 ZINC000999502066 706999840 /nfs/dbraw/zinc/99/98/40/706999840.db2.gz HJXMPEQXQCJJMC-GTPINHCMSA-N 2 0 347.507 1.764 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1)[NH+]1CCCCCC1 ZINC000999504557 707001808 /nfs/dbraw/zinc/00/18/08/707001808.db2.gz DQQNLLLHZWULGK-FHERZECASA-N 2 0 348.495 1.159 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2snnc2C)C1)[NH+](C)C ZINC000999489754 707025852 /nfs/dbraw/zinc/02/58/52/707025852.db2.gz MQDHYYORUMONDH-QWHCGFSZSA-N 2 0 325.482 1.267 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnc(OC)c2)C1)[NH+](C)C ZINC000999492426 707029049 /nfs/dbraw/zinc/02/90/49/707029049.db2.gz BALDBQQMNMIUNC-HZPDHXFCSA-N 2 0 334.464 1.511 20 0 EDADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999555093 707053366 /nfs/dbraw/zinc/05/33/66/707053366.db2.gz XVRHUIKAROPOTO-IPJUCJBFSA-N 2 0 345.487 1.977 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1)c1cnccn1 ZINC000999594505 707097506 /nfs/dbraw/zinc/09/75/06/707097506.db2.gz BALFLDPDHSFGIT-CVEARBPZSA-N 2 0 343.475 1.747 20 0 EDADRP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779262 707239076 /nfs/dbraw/zinc/23/90/76/707239076.db2.gz LUWNTRBZGOHWJL-TVFCKZIOSA-N 2 0 337.508 1.534 20 0 EDADRP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779453 707240660 /nfs/dbraw/zinc/24/06/60/707240660.db2.gz PELXUMRJOFYVCZ-TVFCKZIOSA-N 2 0 337.508 1.676 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999690078 707246136 /nfs/dbraw/zinc/24/61/36/707246136.db2.gz VKJIPVWAPFZNKR-QQFBHYJXSA-N 2 0 331.464 1.206 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276714 707341391 /nfs/dbraw/zinc/34/13/91/707341391.db2.gz FPYVLMRSLHRLIN-VIHIWDAPSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)[C@H]2CC[N@H+](CCCC3CCC3)C2)O1 ZINC001033186709 707381579 /nfs/dbraw/zinc/38/15/79/707381579.db2.gz YQYMSEONKLDBLX-BPQIPLTHSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2noc3c2CCCC3)C1 ZINC000999832562 707463761 /nfs/dbraw/zinc/46/37/61/707463761.db2.gz TWVGSFVWBCHILE-NFOMZHRRSA-N 2 0 346.475 1.584 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960663 707623699 /nfs/dbraw/zinc/62/36/99/707623699.db2.gz DRHOXDCNUSTTMN-CVEARBPZSA-N 2 0 334.468 1.035 20 0 EDADRP C[C@H]([NH2+]Cc1cnnn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004931350 707693826 /nfs/dbraw/zinc/69/38/26/707693826.db2.gz WOVNXZWRXKFCMB-YOEHRIQHSA-N 2 0 348.495 1.016 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033398568 707740947 /nfs/dbraw/zinc/74/09/47/707740947.db2.gz XWFILWZHNCFVCC-OAHLLOKOSA-N 2 0 336.505 1.560 20 0 EDADRP Cc1oncc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982087 707860942 /nfs/dbraw/zinc/86/09/42/707860942.db2.gz OSSZDNIJGPCJLL-YOEHRIQHSA-N 2 0 346.475 1.938 20 0 EDADRP CN1CCO[C@@H](C(=O)N2CC[C@H]3C[N@@H+](C/C=C/Cl)C[C@H]3CC2)C1 ZINC000946536766 707900836 /nfs/dbraw/zinc/90/08/36/707900836.db2.gz XNEBWGBEAYFFCB-BPLBCDPGSA-N 2 0 341.883 1.240 20 0 EDADRP Cc1nc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)Cn2ccnc2C)s1 ZINC001032782744 707976125 /nfs/dbraw/zinc/97/61/25/707976125.db2.gz KWJDGOQCKJZPQZ-GJZGRUSLSA-N 2 0 345.472 1.750 20 0 EDADRP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490624 707984933 /nfs/dbraw/zinc/98/49/33/707984933.db2.gz UXJBVIVFDFQYGH-HOCLYGCPSA-N 2 0 339.459 1.339 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCC2)C1 ZINC001032791719 708036139 /nfs/dbraw/zinc/03/61/39/708036139.db2.gz ACVRZPMVCISMKR-OKZBNKHCSA-N 2 0 335.492 1.573 20 0 EDADRP O=C(NCC1=CC[N@H+](C[C@@H]2CCOC2)CC1)[C@H]1CCc2nccn2C1 ZINC001000876604 708075753 /nfs/dbraw/zinc/07/57/53/708075753.db2.gz ISUPOGOODZNSID-IRXDYDNUSA-N 2 0 344.459 1.230 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(F)c1 ZINC000921817690 708087017 /nfs/dbraw/zinc/08/70/17/708087017.db2.gz VMAQPQXYVYAYJC-UHFFFAOYSA-N 2 0 337.439 1.728 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005185000 708111911 /nfs/dbraw/zinc/11/19/11/708111911.db2.gz OLHXWQPQACENTH-IAGOWNOFSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001005185110 708112398 /nfs/dbraw/zinc/11/23/98/708112398.db2.gz PWUIBYIYZHNYQZ-MSOLQXFVSA-N 2 0 337.508 1.963 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CC[C@H]3CCCO3)C2)CC1 ZINC001033532409 708155882 /nfs/dbraw/zinc/15/58/82/708155882.db2.gz QPQJWNFPJAZNDT-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CCN(Cc3cnon3)CC2)C1 ZINC001001757262 708280744 /nfs/dbraw/zinc/28/07/44/708280744.db2.gz QEGXGONCCSRIRC-MRXNPFEDSA-N 2 0 349.479 1.520 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592031 708290602 /nfs/dbraw/zinc/29/06/02/708290602.db2.gz FBDKGXVWRCPSFQ-AWEZNQCLSA-N 2 0 334.489 1.580 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001001794114 708308774 /nfs/dbraw/zinc/30/87/74/708308774.db2.gz BFSHCQUOLWPRKU-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001824124 708326037 /nfs/dbraw/zinc/32/60/37/708326037.db2.gz BUCUHRLLGABZJJ-CRAIPNDOSA-N 2 0 337.508 1.439 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001824182 708326706 /nfs/dbraw/zinc/32/67/06/708326706.db2.gz DVIPCPSKWTZRKJ-WMLDXEAASA-N 2 0 345.491 1.311 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001001835754 708340179 /nfs/dbraw/zinc/34/01/79/708340179.db2.gz ABRHMOSACCXYJT-MRXNPFEDSA-N 2 0 347.503 1.613 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831873 708357658 /nfs/dbraw/zinc/35/76/58/708357658.db2.gz AZHPKPYOOZMYFP-WMZOPIPTSA-N 2 0 344.503 1.916 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033661469 708474278 /nfs/dbraw/zinc/47/42/78/708474278.db2.gz LMVLMFZDBNPLQV-ROUUACIJSA-N 2 0 331.460 1.163 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033684341 708496369 /nfs/dbraw/zinc/49/63/69/708496369.db2.gz MXICVSBGJRVAPH-QAPCUYQASA-N 2 0 333.476 1.929 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001033775262 708675500 /nfs/dbraw/zinc/67/55/00/708675500.db2.gz MFDKLIVXLVMMHR-HOTGVXAUSA-N 2 0 349.479 1.328 20 0 EDADRP Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005397345 708908985 /nfs/dbraw/zinc/90/89/85/708908985.db2.gz JTKRZRSOJJGFAR-SFHVURJKSA-N 2 0 346.475 1.748 20 0 EDADRP CCO[C@@H](CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1)C[NH+](C)C ZINC000921939135 709090057 /nfs/dbraw/zinc/09/00/57/709090057.db2.gz VKXXBVZWOFXZJN-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001002792462 709400532 /nfs/dbraw/zinc/40/05/32/709400532.db2.gz OPAULSYFHZSMDM-KRWDZBQOSA-N 2 0 333.480 1.374 20 0 EDADRP CCc1ccc([C@H](O)C[N@@H+]2CC[C@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032828546 709452788 /nfs/dbraw/zinc/45/27/88/709452788.db2.gz HWWVCGFHPLKAAN-IPMKNSEASA-N 2 0 345.487 1.567 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CCCC[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001034213802 709565764 /nfs/dbraw/zinc/56/57/64/709565764.db2.gz BAHVMIUGIRTHKG-SOLBZPMBSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034396435 709935367 /nfs/dbraw/zinc/93/53/67/709935367.db2.gz FRBYOEHABIVLKD-DLBZAZTESA-N 2 0 333.480 1.338 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000423036906 710171371 /nfs/dbraw/zinc/17/13/71/710171371.db2.gz VCRIGFFAKGXIQF-UCLAIMLFSA-N 2 0 347.503 1.980 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526192 710177755 /nfs/dbraw/zinc/17/77/55/710177755.db2.gz VPLUYKKCEZIZBH-CVEARBPZSA-N 2 0 334.464 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccon3)CC2)CC[N@@H+]1C ZINC001034649801 710326277 /nfs/dbraw/zinc/32/62/77/710326277.db2.gz UWSANAFUNTYYNY-NXNVCVFFSA-N 2 0 334.464 1.922 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncnn3C)CC2)CC[N@@H+]1C ZINC001034649644 710326285 /nfs/dbraw/zinc/32/62/85/710326285.db2.gz OWMQBDHQXKYPMY-YHUYYLMFSA-N 2 0 348.495 1.062 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034663052 710332451 /nfs/dbraw/zinc/33/24/51/710332451.db2.gz OZDKDEJZFLTIGF-YFHUEUNASA-N 2 0 337.508 1.791 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034658242 710342681 /nfs/dbraw/zinc/34/26/81/710342681.db2.gz BUPPIHACNSSIRG-ZOBUZTSGSA-N 2 0 348.495 1.207 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)CC1 ZINC001003547729 710413999 /nfs/dbraw/zinc/41/39/99/710413999.db2.gz LFRDWSLBLBPOMW-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001034724673 710896080 /nfs/dbraw/zinc/89/60/80/710896080.db2.gz RDQPYPQKNHQWHZ-WKILWMFISA-N 2 0 334.464 1.842 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034734245 710915529 /nfs/dbraw/zinc/91/55/29/710915529.db2.gz LCUZECRLIWEBHB-VQHPVUNQSA-N 2 0 333.480 1.098 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034736203 710922954 /nfs/dbraw/zinc/92/29/54/710922954.db2.gz SNHDTCZIMCNEFT-BRWVUGGUSA-N 2 0 347.507 1.464 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)co1 ZINC001034736611 710924380 /nfs/dbraw/zinc/92/43/80/710924380.db2.gz YJHGXJSIVZBIGK-FVQBIDKESA-N 2 0 334.464 1.984 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccns2)CC1 ZINC001034737495 710950076 /nfs/dbraw/zinc/95/00/76/710950076.db2.gz JWNUCCUMDKUOIY-KQTLUZQSSA-N 2 0 336.505 1.858 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001034754256 710976002 /nfs/dbraw/zinc/97/60/02/710976002.db2.gz XTPZRGGYMUVHHL-OTRWWLKZSA-N 2 0 347.463 1.604 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034793252 711122495 /nfs/dbraw/zinc/12/24/95/711122495.db2.gz VJVQGYPHQPOKQP-DJIMGWMZSA-N 2 0 333.480 1.197 20 0 EDADRP O=C(NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001003984560 711187323 /nfs/dbraw/zinc/18/73/23/711187323.db2.gz FWQWMZDNKYDRAE-SFHVURJKSA-N 2 0 349.519 1.604 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)cn1 ZINC001034830767 711236640 /nfs/dbraw/zinc/23/66/40/711236640.db2.gz CWONGRMPLOGOMT-GOSISDBHSA-N 2 0 341.459 1.278 20 0 EDADRP CCc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034882387 711283173 /nfs/dbraw/zinc/28/31/73/711283173.db2.gz WPMCAVDVFIYRMW-RHSMWYFYSA-N 2 0 334.464 1.720 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034935962 711364551 /nfs/dbraw/zinc/36/45/51/711364551.db2.gz FHSWSDWOVOEDMF-SJORKVTESA-N 2 0 333.480 1.374 20 0 EDADRP CCc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957654 711429852 /nfs/dbraw/zinc/42/98/52/711429852.db2.gz DOXMKCAGJMHYQQ-MRXNPFEDSA-N 2 0 334.464 1.802 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c(c1)nnn3C)C2 ZINC000922386582 711448052 /nfs/dbraw/zinc/44/80/52/711448052.db2.gz GLAKQZLACWVPJD-NXWXRZEISA-N 2 0 343.475 1.538 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cn1)OCCO3)C2 ZINC000922391074 711455213 /nfs/dbraw/zinc/45/52/13/711455213.db2.gz RLNGAYNGHBWZSB-VVWQDTPRSA-N 2 0 347.459 1.422 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3ccccc3F)CC2)C1 ZINC001004146841 711557332 /nfs/dbraw/zinc/55/73/32/711557332.db2.gz BAMRRKODCVDDIR-OAHLLOKOSA-N 2 0 349.450 1.737 20 0 EDADRP Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001004146967 711558366 /nfs/dbraw/zinc/55/83/66/711558366.db2.gz CDLOMCMBHMNGLJ-AWEZNQCLSA-N 2 0 336.505 1.526 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149180 711562962 /nfs/dbraw/zinc/56/29/62/711562962.db2.gz FRHJXXYTYVRQPP-MJGOQNOKSA-N 2 0 345.487 1.906 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149177 711563097 /nfs/dbraw/zinc/56/30/97/711563097.db2.gz FRHJXXYTYVRQPP-IEBWSBKVSA-N 2 0 345.487 1.906 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922465340 711581050 /nfs/dbraw/zinc/58/10/50/711581050.db2.gz BAWJCRSGSCEGSY-ARFHVFGLSA-N 2 0 340.537 1.740 20 0 EDADRP CN(CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000344080773 282092446 /nfs/dbraw/zinc/09/24/46/282092446.db2.gz ZKMQRXFRHWPADI-LJQANCHMSA-N 2 0 346.519 1.997 20 0 EDADRP CN(CCC[N@H+](C)Cc1cc(=O)n2ccccc2n1)CC[NH+](C)C ZINC000344028032 282092478 /nfs/dbraw/zinc/09/24/78/282092478.db2.gz LTXCIAGMSHZNER-UHFFFAOYSA-N 2 0 331.464 1.010 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000333661820 282115829 /nfs/dbraw/zinc/11/58/29/282115829.db2.gz MFUTVYJBAQSXCC-KRWDZBQOSA-N 2 0 334.468 1.394 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)c2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000412144155 303976902 /nfs/dbraw/zinc/97/69/02/303976902.db2.gz KJXWPSPJVKKVLV-UHFFFAOYSA-N 2 0 345.487 1.859 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1 ZINC000649346351 452028593 /nfs/dbraw/zinc/02/85/93/452028593.db2.gz AADLJTXUZFIXCD-ZFWWWQNUSA-N 2 0 325.840 1.295 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cc1 ZINC000560961107 306281296 /nfs/dbraw/zinc/28/12/96/306281296.db2.gz XXMCEBIHRFCKOA-AWEZNQCLSA-N 2 0 346.475 1.978 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCC3CCCCC3)CC2)C1 ZINC000333879395 539656244 /nfs/dbraw/zinc/65/62/44/539656244.db2.gz UECDMPSWFUMEMX-QZTJIDSGSA-N 2 0 337.508 1.901 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150764519 539712595 /nfs/dbraw/zinc/71/25/95/539712595.db2.gz LEGHSICLAQHLSC-MRXNPFEDSA-N 2 0 340.512 1.374 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000342989249 539772342 /nfs/dbraw/zinc/77/23/42/539772342.db2.gz OWAOAWCBTZQGEO-HNNXBMFYSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343015024 539776084 /nfs/dbraw/zinc/77/60/84/539776084.db2.gz PHGYXVKYTHGLFQ-PMPSAXMXSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353533618 539935226 /nfs/dbraw/zinc/93/52/26/539935226.db2.gz GFQWXYZUZZNJKN-HNNXBMFYSA-N 2 0 349.479 1.652 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000562806006 306309549 /nfs/dbraw/zinc/30/95/49/306309549.db2.gz DYHXQAMDHULTGE-JCGIZDLHSA-N 2 0 344.459 1.716 20 0 EDADRP CO[C@H]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)[C@H](C[NH3+])C1 ZINC000563158723 306320795 /nfs/dbraw/zinc/32/07/95/306320795.db2.gz ITMUYAFEDZRMLH-IRXDYDNUSA-N 2 0 344.459 1.568 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000563211354 306323792 /nfs/dbraw/zinc/32/37/92/306323792.db2.gz XEURETCYSURFCF-UHFFFAOYSA-N 2 0 332.492 1.206 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000163853220 540057525 /nfs/dbraw/zinc/05/75/25/540057525.db2.gz HDDRDTFZVXOECW-HNNXBMFYSA-N 2 0 333.476 1.974 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000354676165 299234036 /nfs/dbraw/zinc/23/40/36/299234036.db2.gz NWJQKDVSDGEBMM-IKGGRYGDSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079392068 138261277 /nfs/dbraw/zinc/26/12/77/138261277.db2.gz YKPLLPBASKNHAF-QGZVFWFLSA-N 2 0 338.496 1.369 20 0 EDADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)C[NH+]1CCCC1 ZINC000079999349 138263240 /nfs/dbraw/zinc/26/32/40/138263240.db2.gz JPQJXTSWWJJTLA-INIZCTEOSA-N 2 0 326.485 1.130 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000563596023 306340850 /nfs/dbraw/zinc/34/08/50/306340850.db2.gz FDJSUANYSHKGCB-QGZVFWFLSA-N 2 0 334.464 1.597 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000563868918 306350556 /nfs/dbraw/zinc/35/05/56/306350556.db2.gz XMKHJYPSHPHYGS-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP Cn1c2ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc2sc1=O ZINC000564314354 306358030 /nfs/dbraw/zinc/35/80/30/306358030.db2.gz GCNDMEHDSVPMKJ-UHFFFAOYSA-N 2 0 336.505 1.525 20 0 EDADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1n[nH]c2c1C[NH2+]CC2 ZINC000262396514 295977164 /nfs/dbraw/zinc/97/71/64/295977164.db2.gz ZFNSVXQOZHZDEJ-UHFFFAOYSA-N 2 0 332.433 1.231 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000413833397 304079409 /nfs/dbraw/zinc/07/94/09/304079409.db2.gz IRRKTMNTAKFFBS-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000413847585 304080878 /nfs/dbraw/zinc/08/08/78/304080878.db2.gz VEPLECQSYQAADB-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCC1 ZINC000564716383 306363451 /nfs/dbraw/zinc/36/34/51/306363451.db2.gz VSIBJPBTTCWMJQ-ZWKOTPCHSA-N 2 0 330.476 1.916 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000367995562 291190857 /nfs/dbraw/zinc/19/08/57/291190857.db2.gz AHUQJMZWEKUYBH-LISAXSMJSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000422912459 296000212 /nfs/dbraw/zinc/00/02/12/296000212.db2.gz WDYFJYNFHWJYIM-WMZOPIPTSA-N 2 0 338.540 1.830 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000564905722 306369258 /nfs/dbraw/zinc/36/92/58/306369258.db2.gz QTGXYUCDANIBQL-MSOLQXFVSA-N 2 0 330.476 1.091 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])CCCC2)CC1 ZINC000564938017 306370585 /nfs/dbraw/zinc/37/05/85/306370585.db2.gz NSUORMUHNVAADG-GJZGRUSLSA-N 2 0 340.512 1.835 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@]1(O)C[NH+]3CCC1CC3)CC2 ZINC000565196986 306377401 /nfs/dbraw/zinc/37/74/01/306377401.db2.gz NARIDYUSCOVAPP-YJYMSZOUSA-N 2 0 346.475 1.211 20 0 EDADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000565420743 306383503 /nfs/dbraw/zinc/38/35/03/306383503.db2.gz OLPXUDRFTSJOCA-RKVPGOIHSA-N 2 0 347.459 1.324 20 0 EDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183850 304104717 /nfs/dbraw/zinc/10/47/17/304104717.db2.gz NYROXSPREKDZSR-KBPBESRZSA-N 2 0 325.478 1.717 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CC[C@H](c3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000565646385 306388727 /nfs/dbraw/zinc/38/87/27/306388727.db2.gz GNWOOAUKRSNAKN-USXIJHARSA-N 2 0 334.439 1.746 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000565836623 306393215 /nfs/dbraw/zinc/39/32/15/306393215.db2.gz RIWLFGUAGMDDNJ-ZAWLATJESA-N 2 0 345.487 1.780 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C1[C@@H]3CC[C@H]1CC([NH3+])C3)CCC2 ZINC000566092769 306398698 /nfs/dbraw/zinc/39/86/98/306398698.db2.gz QZWCYRIZLFFQDR-GEHYHNTPSA-N 2 0 349.500 1.817 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000414706595 304130915 /nfs/dbraw/zinc/13/09/15/304130915.db2.gz OTJIUPJWSDQHHI-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000414735310 304134853 /nfs/dbraw/zinc/13/48/53/304134853.db2.gz GTQVNYDREHHXLF-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@]1(c2ccc(F)cc2)CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414748098 304136775 /nfs/dbraw/zinc/13/67/75/304136775.db2.gz UCNZXZBDKKWBIQ-HNAYVOBHSA-N 2 0 333.451 1.986 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000414748851 304136667 /nfs/dbraw/zinc/13/66/67/304136667.db2.gz VDYIDHOLYZJMIZ-INIZCTEOSA-N 2 0 346.475 1.583 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188729817 284026174 /nfs/dbraw/zinc/02/61/74/284026174.db2.gz MGFHRVQSXOVWCD-OAHLLOKOSA-N 2 0 339.443 1.450 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1OC ZINC000414809463 304143464 /nfs/dbraw/zinc/14/34/64/304143464.db2.gz UFGRPYLDLULKNF-HOTGVXAUSA-N 2 0 349.475 1.817 20 0 EDADRP CN1CCN(c2ncc(CN[C@@H](C[NH3+])C3CCCCC3)cn2)CC1 ZINC000414837719 304146539 /nfs/dbraw/zinc/14/65/39/304146539.db2.gz JQBZQSDDBUSKHM-KRWDZBQOSA-N 3 0 332.496 1.226 20 0 EDADRP Cn1cnc2cc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)ccc21 ZINC000414988009 304148222 /nfs/dbraw/zinc/14/82/22/304148222.db2.gz PERBERRMGNWHFI-HNNXBMFYSA-N 2 0 341.381 1.499 20 0 EDADRP COc1ccc(C)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995825 304149107 /nfs/dbraw/zinc/14/91/07/304149107.db2.gz WLFMDMVSFJIHRR-HNNXBMFYSA-N 2 0 331.382 1.929 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CN[C@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000415007579 304150141 /nfs/dbraw/zinc/15/01/41/304150141.db2.gz VCDZPYQEUMCZBC-ZDUSSCGKSA-N 2 0 330.448 1.996 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(F)c1 ZINC000566918600 306433057 /nfs/dbraw/zinc/43/30/57/306433057.db2.gz KRCTUZQNMFLUBR-AEFFLSMTSA-N 2 0 335.423 1.571 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000415044350 304153734 /nfs/dbraw/zinc/15/37/34/304153734.db2.gz BSLKIIMUKSVAKZ-UHFFFAOYSA-N 2 0 330.432 1.113 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000105124899 204134674 /nfs/dbraw/zinc/13/46/74/204134674.db2.gz HOVZSNABQJPTDU-OAHLLOKOSA-N 2 0 349.479 1.652 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3cccc(C)c3)C2)CC1 ZINC000107371646 204235491 /nfs/dbraw/zinc/23/54/91/204235491.db2.gz BSIKOWDRFAWPPT-MOPGFXCFSA-N 2 0 347.503 1.447 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415142457 304164084 /nfs/dbraw/zinc/16/40/84/304164084.db2.gz AMYPUGNRSBWLDR-RHSMWYFYSA-N 2 0 346.475 1.533 20 0 EDADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415146546 304164937 /nfs/dbraw/zinc/16/49/37/304164937.db2.gz YVXSLGXFSVRGLF-ZWKOTPCHSA-N 2 0 346.450 1.854 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000236994676 139037512 /nfs/dbraw/zinc/03/75/12/139037512.db2.gz MFMSFRCZIPJNMS-CVEARBPZSA-N 2 0 330.476 1.651 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000237195060 139043511 /nfs/dbraw/zinc/04/35/11/139043511.db2.gz BRBGCBTWPJPMGZ-KRWDZBQOSA-N 2 0 335.448 1.184 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000237215261 139044622 /nfs/dbraw/zinc/04/46/22/139044622.db2.gz DFICBPGUFUNGCD-FQEVSTJZSA-N 2 0 344.503 1.440 20 0 EDADRP C[C@@H](NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1)[C@H]1CCCO1 ZINC000237329404 139048095 /nfs/dbraw/zinc/04/80/95/139048095.db2.gz NPGQIDDUDGZYPB-FHLIZLRMSA-N 2 0 342.443 1.485 20 0 EDADRP C[C@@](C[NH3+])(NC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)C1CC1 ZINC000237628254 139056263 /nfs/dbraw/zinc/05/62/63/139056263.db2.gz HVOTVQVLLIUDBP-MJGOQNOKSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631417 139056405 /nfs/dbraw/zinc/05/64/05/139056405.db2.gz ADGULIBNJCPSSE-YRNRMSPPSA-N 2 0 345.487 1.912 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000415224493 304176006 /nfs/dbraw/zinc/17/60/06/304176006.db2.gz HGADWMGSCLNTNO-GRDNDAEWSA-N 2 0 344.459 1.730 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000237914506 139063662 /nfs/dbraw/zinc/06/36/62/139063662.db2.gz REQMUXSUFUJRPN-KRWDZBQOSA-N 2 0 349.500 1.943 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000567623475 306457179 /nfs/dbraw/zinc/45/71/79/306457179.db2.gz LOTLKNXGXXVHSS-KRWDZBQOSA-N 2 0 341.496 1.007 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000155588099 206018899 /nfs/dbraw/zinc/01/88/99/206018899.db2.gz KPLQQPGJZOAADK-CQSZACIVSA-N 2 0 336.446 1.629 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC2)cc1 ZINC000156284897 206068453 /nfs/dbraw/zinc/06/84/53/206068453.db2.gz RTPZSYGLLHTWAK-LJQANCHMSA-N 2 0 347.503 1.636 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000158077091 206171777 /nfs/dbraw/zinc/17/17/77/206171777.db2.gz CBDQDNQPHZRAQH-WMZOPIPTSA-N 2 0 336.476 1.846 20 0 EDADRP COCC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000158536915 206197071 /nfs/dbraw/zinc/19/70/71/206197071.db2.gz HMQCAHKNXXTFAU-GOSISDBHSA-N 2 0 333.476 1.764 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOCC1(C)C ZINC000246016448 139092381 /nfs/dbraw/zinc/09/23/81/139092381.db2.gz MTLPLPBUXASPKT-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415349653 304200470 /nfs/dbraw/zinc/20/04/70/304200470.db2.gz XRKJOFYGZXDSSS-HNNXBMFYSA-N 2 0 344.459 1.431 20 0 EDADRP COC(=O)c1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000247282012 139143600 /nfs/dbraw/zinc/14/36/00/139143600.db2.gz SVYGKQNKGAEFPP-NVXWUHKLSA-N 2 0 345.443 1.828 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000248169395 139159201 /nfs/dbraw/zinc/15/92/01/139159201.db2.gz IUPYHHFHWFKORQ-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000248649152 139170172 /nfs/dbraw/zinc/17/01/72/139170172.db2.gz UINYPSWUTZETKQ-YTQUADARSA-N 2 0 342.487 1.638 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000248881322 139179046 /nfs/dbraw/zinc/17/90/46/139179046.db2.gz SIEYXJBPICCVLM-HRCADAONSA-N 2 0 325.497 1.852 20 0 EDADRP COC[C@]1(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555627 139208902 /nfs/dbraw/zinc/20/89/02/139208902.db2.gz BNQFWTMWSHFYLJ-HQRMLTQVSA-N 2 0 345.487 1.639 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000261613103 139211018 /nfs/dbraw/zinc/21/10/18/139211018.db2.gz FBCVGSBABUIVDR-FRQCXROJSA-N 2 0 337.508 1.850 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CCC[NH2+]1 ZINC000261683200 139217284 /nfs/dbraw/zinc/21/72/84/139217284.db2.gz KDCFQTFKRISMNZ-GOSISDBHSA-N 2 0 336.524 1.393 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261721902 139220553 /nfs/dbraw/zinc/22/05/53/139220553.db2.gz QVNRTPHBZRENRH-CXAGYDPISA-N 2 0 335.423 1.612 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000261774397 139224876 /nfs/dbraw/zinc/22/48/76/139224876.db2.gz MPTZPTVSBDLZRI-ROUUACIJSA-N 2 0 331.460 1.694 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000261825993 139229493 /nfs/dbraw/zinc/22/94/93/139229493.db2.gz MUWOYDANEQBZIS-IXDOHACOSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)C3([NH3+])CCOCC3)cc21 ZINC000261809662 139227875 /nfs/dbraw/zinc/22/78/75/139227875.db2.gz JJPIPRNOBHNFPJ-UHFFFAOYSA-N 2 0 330.432 1.649 20 0 EDADRP COCC1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000261872456 139232910 /nfs/dbraw/zinc/23/29/10/139232910.db2.gz LNYRFEPZHWMKDY-CRAIPNDOSA-N 2 0 325.497 1.629 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000415491057 304224918 /nfs/dbraw/zinc/22/49/18/304224918.db2.gz DCALLBHARPXIBP-INIZCTEOSA-N 2 0 334.464 1.629 20 0 EDADRP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000262109373 139251556 /nfs/dbraw/zinc/25/15/56/139251556.db2.gz FHEUTJKVSHMXLX-HOTGVXAUSA-N 2 0 333.480 1.198 20 0 EDADRP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262119101 139252517 /nfs/dbraw/zinc/25/25/17/139252517.db2.gz LTHDUMICSGFEQB-OAHLLOKOSA-N 2 0 329.473 1.685 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000262141852 139254536 /nfs/dbraw/zinc/25/45/36/139254536.db2.gz PKMURTQGGXWNGK-BEFAXECRSA-N 2 0 349.475 1.912 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416831301 251111990 /nfs/dbraw/zinc/11/19/90/251111990.db2.gz AVMCBPNDPASFIY-WMZOPIPTSA-N 2 0 328.460 1.797 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000416874326 251114879 /nfs/dbraw/zinc/11/48/79/251114879.db2.gz PMKFGYQBQMUPIX-QZTJIDSGSA-N 2 0 348.491 1.656 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417013590 251133323 /nfs/dbraw/zinc/13/33/23/251133323.db2.gz YUCLVOWXZCEZSG-WBVHZDCISA-N 2 0 330.476 1.814 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013734 251133366 /nfs/dbraw/zinc/13/33/66/251133366.db2.gz DGGFQTPTCCAEQM-MRXNPFEDSA-N 2 0 333.480 1.187 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000417020535 251136463 /nfs/dbraw/zinc/13/64/63/251136463.db2.gz MIDUHDZQNIGBFF-AEFFLSMTSA-N 2 0 345.491 1.187 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@@H]1CCC[NH2+]1 ZINC000417595879 251201672 /nfs/dbraw/zinc/20/16/72/251201672.db2.gz OTNDAXTUZOCMSU-KRWDZBQOSA-N 2 0 346.475 1.712 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000175821306 207163300 /nfs/dbraw/zinc/16/33/00/207163300.db2.gz UBELNFNOGQTVQS-INIZCTEOSA-N 2 0 342.528 1.764 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH3+])CC2)[C@H](C)C1 ZINC000417669075 251221528 /nfs/dbraw/zinc/22/15/28/251221528.db2.gz KTMJVKWYNYUKHE-NVXWUHKLSA-N 2 0 340.512 1.504 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000417686549 251228332 /nfs/dbraw/zinc/22/83/32/251228332.db2.gz UAZAMDPTHWRFEP-OAHLLOKOSA-N 2 0 338.496 1.448 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCCO1 ZINC000417716549 251239338 /nfs/dbraw/zinc/23/93/38/251239338.db2.gz UNFJCSATWHMDHV-MRXNPFEDSA-N 2 0 326.485 1.402 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000417719051 251240671 /nfs/dbraw/zinc/24/06/71/251240671.db2.gz WERDMSCPIYJCEP-RDJZCZTQSA-N 2 0 334.464 1.269 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417837898 251291656 /nfs/dbraw/zinc/29/16/56/251291656.db2.gz IPOOADAHCBPEPG-MRXNPFEDSA-N 2 0 340.512 1.552 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cn(CCCC[NH3+])nn2)cc1 ZINC000417805168 251277103 /nfs/dbraw/zinc/27/71/03/251277103.db2.gz YGOFBHAMCLXIQB-MRXNPFEDSA-N 2 0 344.463 1.570 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000262498808 139282620 /nfs/dbraw/zinc/28/26/20/139282620.db2.gz FRQSMQWBCJUHFB-UHFFFAOYSA-N 2 0 330.476 1.375 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418123553 251335793 /nfs/dbraw/zinc/33/57/93/251335793.db2.gz ZJWJRBOOFUFXNZ-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(C[NH2+]C)CC1)CCC(F)(F)F ZINC000418080573 251321188 /nfs/dbraw/zinc/32/11/88/251321188.db2.gz SHGUMEIXJNTGIU-UHFFFAOYSA-N 2 0 338.418 1.902 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCO1 ZINC000418123501 251334520 /nfs/dbraw/zinc/33/45/20/251334520.db2.gz ZCSWUGHBULKXAW-BZUAXINKSA-N 2 0 326.485 1.304 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccccc1 ZINC000418429493 251368473 /nfs/dbraw/zinc/36/84/73/251368473.db2.gz NRLRNVBNFMTZLC-DOTOQJQBSA-N 2 0 332.448 1.050 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418435531 251369716 /nfs/dbraw/zinc/36/97/16/251369716.db2.gz AOGXYXIUQKNARZ-PMPSAXMXSA-N 2 0 326.485 1.432 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418198930 251355265 /nfs/dbraw/zinc/35/52/65/251355265.db2.gz WCHJSPNXGNNHPR-OAHLLOKOSA-N 2 0 349.479 1.211 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418321561 251360623 /nfs/dbraw/zinc/36/06/23/251360623.db2.gz AWVSUBUFGTYSJE-UHFFFAOYSA-N 2 0 333.480 1.735 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000262594641 139289059 /nfs/dbraw/zinc/28/90/59/139289059.db2.gz UBMXVDRQMOSKMY-IAGOWNOFSA-N 2 0 345.491 1.180 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000419007836 251471422 /nfs/dbraw/zinc/47/14/22/251471422.db2.gz KPDANLCAVHCWOU-QGZVFWFLSA-N 2 0 348.491 1.244 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000262633338 139291756 /nfs/dbraw/zinc/29/17/56/139291756.db2.gz GIGKMHIFHQIPKS-QFBILLFUSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[C@H]([NH3+])C1)N1CCN(c2ccccc2)CC1 ZINC000262637239 139292090 /nfs/dbraw/zinc/29/20/90/139292090.db2.gz IEXCHKJGONNMPV-IKGGRYGDSA-N 2 0 330.476 1.441 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420124738 251601752 /nfs/dbraw/zinc/60/17/52/251601752.db2.gz MNXATNAAXLSRRV-CQSZACIVSA-N 2 0 334.464 1.171 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262695476 139297068 /nfs/dbraw/zinc/29/70/68/139297068.db2.gz DDSSIJNPPMRKMY-LJQANCHMSA-N 2 0 348.491 1.769 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000262682216 139295974 /nfs/dbraw/zinc/29/59/74/139295974.db2.gz YLDZOCLHYZSJMC-GUDVDZBRSA-N 2 0 345.487 1.676 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262709719 139298038 /nfs/dbraw/zinc/29/80/38/139298038.db2.gz PGYJCCWYURYTJA-INIZCTEOSA-N 2 0 332.448 1.450 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C[NH+]1CCCCC1 ZINC000262701541 139297484 /nfs/dbraw/zinc/29/74/84/139297484.db2.gz CHQRLFANTKYUIK-HOTGVXAUSA-N 2 0 333.480 1.659 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262732396 139299775 /nfs/dbraw/zinc/29/97/75/139299775.db2.gz IDMFEIOAOMIMBF-INIZCTEOSA-N 2 0 333.480 1.850 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CC[C@H](C)[NH3+])cc2)CC1 ZINC000262819696 139305943 /nfs/dbraw/zinc/30/59/43/139305943.db2.gz PLAASCYJWQDUPM-INIZCTEOSA-N 2 0 332.492 1.568 20 0 EDADRP O=C(NCCC[NH2+]C1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000422881179 252010393 /nfs/dbraw/zinc/01/03/93/252010393.db2.gz PSTJZMHQCJCBQP-UHFFFAOYSA-N 2 0 340.265 1.911 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422901184 252016452 /nfs/dbraw/zinc/01/64/52/252016452.db2.gz KNUVPULWDPCIIZ-UKRRQHHQSA-N 2 0 335.448 1.418 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000423175684 252043070 /nfs/dbraw/zinc/04/30/70/252043070.db2.gz ARFRQFJGXPDLAM-LJQANCHMSA-N 3 0 344.547 1.967 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423344106 252048087 /nfs/dbraw/zinc/04/80/87/252048087.db2.gz FAGGAUXNGHUPAZ-MRXNPFEDSA-N 2 0 347.507 1.739 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000423356717 252052298 /nfs/dbraw/zinc/05/22/98/252052298.db2.gz HFXXJCRDSGUBGK-WDYCEAGBSA-N 2 0 331.460 1.564 20 0 EDADRP [NH3+]CC1(CC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000423857177 252093821 /nfs/dbraw/zinc/09/38/21/252093821.db2.gz XRGVYHKOIFBSKZ-QGZVFWFLSA-N 2 0 331.460 1.523 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423791521 252076172 /nfs/dbraw/zinc/07/61/72/252076172.db2.gz UYQSRYIBKXFSPX-HNNXBMFYSA-N 2 0 334.489 1.509 20 0 EDADRP Cn1cc(C(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424170609 252152688 /nfs/dbraw/zinc/15/26/88/252152688.db2.gz KHRIUVDSPSNMLN-HZPDHXFCSA-N 2 0 345.491 1.349 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000424217476 252165563 /nfs/dbraw/zinc/16/55/63/252165563.db2.gz LSXLPESXZMGSJA-UHFFFAOYSA-N 2 0 325.497 1.855 20 0 EDADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[NH+]3CCN(CCO)CC3)C[C@H]2C1 ZINC000424308665 252193986 /nfs/dbraw/zinc/19/39/86/252193986.db2.gz GVUZSPVGUOSYLG-MKQMEDFFSA-N 2 0 339.524 1.170 20 0 EDADRP COC(=O)CC1CC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000424308698 252194065 /nfs/dbraw/zinc/19/40/65/252194065.db2.gz HAAPQUGKSATHEW-VLOYRQLPSA-N 2 0 346.471 1.801 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424337819 252198060 /nfs/dbraw/zinc/19/80/60/252198060.db2.gz SGKYPOUCAZBEHS-HZPDHXFCSA-N 2 0 341.477 1.175 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479837 252248059 /nfs/dbraw/zinc/24/80/59/252248059.db2.gz OXWJNJVTWCVJBF-FGTMMUONSA-N 2 0 328.460 1.512 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000237091537 285031810 /nfs/dbraw/zinc/03/18/10/285031810.db2.gz IXUQVXNOFSJORX-SFHVURJKSA-N 2 0 345.487 1.535 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@@H](C)C2)C1 ZINC000349933635 285059519 /nfs/dbraw/zinc/05/95/19/285059519.db2.gz LUBIPIHZNORTBK-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263224055 139329282 /nfs/dbraw/zinc/32/92/82/139329282.db2.gz MLYRBOFRSDZENJ-GLXFQSAKSA-N 2 0 331.229 1.689 20 0 EDADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000263296109 139333947 /nfs/dbraw/zinc/33/39/47/139333947.db2.gz WJXFRZLIPXXNJR-INWMFGNUSA-N 2 0 339.867 1.247 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000112742408 220392752 /nfs/dbraw/zinc/39/27/52/220392752.db2.gz SMWNVZWJULMDOW-UHFFFAOYSA-N 2 0 345.491 1.783 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000424437810 291886989 /nfs/dbraw/zinc/88/69/89/291886989.db2.gz ORFMAWXGSLKSRC-QGZVFWFLSA-N 2 0 334.464 1.668 20 0 EDADRP CC[C@H]1CN(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCO1 ZINC000487164652 255028195 /nfs/dbraw/zinc/02/81/95/255028195.db2.gz XOJJBUZUAYONMF-SFHVURJKSA-N 2 0 329.448 1.776 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CC[C@@H]1C(=O)OC ZINC000351779066 285248683 /nfs/dbraw/zinc/24/86/83/285248683.db2.gz JEOFMRTULKEJCY-PMPSAXMXSA-N 2 0 339.480 1.060 20 0 EDADRP CC(C)[C@H]1CN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000490293750 255082999 /nfs/dbraw/zinc/08/29/99/255082999.db2.gz NYRCFOFXSAIXDR-QGZVFWFLSA-N 2 0 345.491 1.246 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)n(C)c2=O)[C@H](C)C1 ZINC000494485301 255252412 /nfs/dbraw/zinc/25/24/12/255252412.db2.gz LUWDTSXGIPQPQT-CRAIPNDOSA-N 2 0 335.492 1.920 20 0 EDADRP CN1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)OC1=O ZINC000495793205 255326587 /nfs/dbraw/zinc/32/65/87/255326587.db2.gz IEZZEGSAVOLWKN-INIZCTEOSA-N 2 0 325.453 1.261 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH2+]1 ZINC000496337856 255383041 /nfs/dbraw/zinc/38/30/41/255383041.db2.gz FFXSXOCZZDCDEN-RBSFLKMASA-N 2 0 327.469 1.600 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000173391150 285277636 /nfs/dbraw/zinc/27/76/36/285277636.db2.gz DYNUDCPORGQJQB-KRWDZBQOSA-N 3 0 339.528 1.138 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCCSC ZINC000341180805 285277902 /nfs/dbraw/zinc/27/79/02/285277902.db2.gz PUCIMRLFOPNBTG-HNNXBMFYSA-N 2 0 330.542 1.797 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3C[NH+](C)C)C2)CC1 ZINC000368276860 285333806 /nfs/dbraw/zinc/33/38/06/285333806.db2.gz NRFLCVMAQAYDCP-GOSISDBHSA-N 2 0 344.503 1.600 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C(C)(C)[NH3+])CC1 ZINC000262007169 285338532 /nfs/dbraw/zinc/33/85/32/285338532.db2.gz VFUXBUXFDSMFPO-CYBMUJFWSA-N 2 0 336.455 1.882 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1C[NH+](C)C ZINC000415870209 304283130 /nfs/dbraw/zinc/28/31/30/304283130.db2.gz OMTJGFFNCQGMLK-CVEARBPZSA-N 2 0 344.459 1.063 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000415928078 304285810 /nfs/dbraw/zinc/28/58/10/304285810.db2.gz GVUQWFQBQJLXKB-GOSISDBHSA-N 2 0 347.507 1.800 20 0 EDADRP O=C(CN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000271327417 140278752 /nfs/dbraw/zinc/27/87/52/140278752.db2.gz YJERXQJSNFBDOJ-LJQANCHMSA-N 2 0 342.487 1.157 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000331424605 141024316 /nfs/dbraw/zinc/02/43/16/141024316.db2.gz LLBGDCBTUMPRCM-MRXNPFEDSA-N 2 0 338.496 1.402 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332226034 141143239 /nfs/dbraw/zinc/14/32/39/141143239.db2.gz BYRBOOQMQZAGCL-OAGGEKHMSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332556769 141202573 /nfs/dbraw/zinc/20/25/73/141202573.db2.gz SDPSZSOTSJLXNP-VDNDLQMASA-N 2 0 334.439 1.792 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000332603972 141212972 /nfs/dbraw/zinc/21/29/72/141212972.db2.gz PPUPWQNLKLDJIT-CQSZACIVSA-N 2 0 347.459 1.656 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)C1CC([NH3+])C1 ZINC000333157362 141273200 /nfs/dbraw/zinc/27/32/00/141273200.db2.gz LJAUIPVNPJUHDP-UHFFFAOYSA-N 2 0 331.464 1.700 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000333339320 141302125 /nfs/dbraw/zinc/30/21/25/141302125.db2.gz XQRXTJHXMAOHDU-ZWKOTPCHSA-N 2 0 336.524 1.523 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CCCC1 ZINC000333668307 141353228 /nfs/dbraw/zinc/35/32/28/141353228.db2.gz MQURLDQRNJZSGV-IXDOHACOSA-N 2 0 338.496 1.432 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCC[NH2+]CC1 ZINC000333734417 141368998 /nfs/dbraw/zinc/36/89/98/141368998.db2.gz WRLLPAJRZIIXNS-WBVHZDCISA-N 2 0 334.439 1.524 20 0 EDADRP c1ncn2c1C[C@@H](c1nc([C@H]3CN4CCCC[C@@H]4CO3)no1)CC2 ZINC000333749416 141372585 /nfs/dbraw/zinc/37/25/85/141372585.db2.gz SQRZCSAYHMSYRU-GZBFAFLISA-N 2 0 329.404 1.922 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333799419 141384071 /nfs/dbraw/zinc/38/40/71/141384071.db2.gz HMYWFSTZONNXPS-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCCC1CC[NH+](C)CC1)C(C)C ZINC000339608524 142091774 /nfs/dbraw/zinc/09/17/74/142091774.db2.gz OKAMRRSBLPJNFC-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cnn(C)c1C ZINC000339655415 142109313 /nfs/dbraw/zinc/10/93/13/142109313.db2.gz OUTOICGVVDTFJE-QGZVFWFLSA-N 2 0 335.496 1.146 20 0 EDADRP CC(C)C[C@@H](NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000340407775 142381127 /nfs/dbraw/zinc/38/11/27/142381127.db2.gz WPZOQRAAZBRKGW-OWCLPIDISA-N 2 0 340.512 1.068 20 0 EDADRP C[C@H](C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345010410 143038881 /nfs/dbraw/zinc/03/88/81/143038881.db2.gz NZGNKSJOOISXMX-OWCLPIDISA-N 2 0 325.497 1.553 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC(=O)c2cccn21 ZINC000345107873 143051295 /nfs/dbraw/zinc/05/12/95/143051295.db2.gz DOHCNIUBEZOQFO-KRWDZBQOSA-N 2 0 348.491 1.738 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CCC[N@@H+]1C ZINC000345324815 143078088 /nfs/dbraw/zinc/07/80/88/143078088.db2.gz RIGPEMZDJULNSQ-VQIMIIECSA-N 2 0 344.503 1.647 20 0 EDADRP CCC[NH+]1CCN(C(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)CC1 ZINC000345404702 143087238 /nfs/dbraw/zinc/08/72/38/143087238.db2.gz ATHLHOSWLFWPBB-UHFFFAOYSA-N 2 0 344.503 1.996 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000345751574 143129001 /nfs/dbraw/zinc/12/90/01/143129001.db2.gz CRPLIASAKXJWGI-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cn2)CC1 ZINC000346269652 143185613 /nfs/dbraw/zinc/18/56/13/143185613.db2.gz CTUHXRPSVSSSCQ-DLBZAZTESA-N 2 0 345.491 1.357 20 0 EDADRP COc1ccsc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346645537 143225698 /nfs/dbraw/zinc/22/56/98/143225698.db2.gz DTURTFVXGUXEMQ-UONOGXRCSA-N 2 0 337.489 1.837 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1OC ZINC000347110260 143283681 /nfs/dbraw/zinc/28/36/81/143283681.db2.gz PFARQHVVWNDNJE-INIZCTEOSA-N 2 0 347.459 1.348 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000347377892 143314589 /nfs/dbraw/zinc/31/45/89/143314589.db2.gz UUDBCCNKXZUNCG-QGZVFWFLSA-N 2 0 343.479 1.254 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000347454554 143323433 /nfs/dbraw/zinc/32/34/33/143323433.db2.gz LVNDAUBGNZWYSA-OALUTQOASA-N 2 0 346.519 1.999 20 0 EDADRP CC[C@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347729863 143355567 /nfs/dbraw/zinc/35/55/67/143355567.db2.gz WZUBPIOBRFXLNE-UYAOXDASSA-N 2 0 347.503 1.860 20 0 EDADRP CN(C)Cc1cnc(CN2CCC(O[C@H]3CCOC3)CC2)s1 ZINC000347871265 143372802 /nfs/dbraw/zinc/37/28/02/143372802.db2.gz GOITXIURSVBJLS-AWEZNQCLSA-N 2 0 325.478 1.975 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(C)C ZINC000347957281 143383534 /nfs/dbraw/zinc/38/35/34/143383534.db2.gz CTIOBEGTXIEWGH-JKSUJKDBSA-N 2 0 340.512 1.210 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000347964059 143384479 /nfs/dbraw/zinc/38/44/79/143384479.db2.gz FKSVMZFUISLVIT-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347968946 143385047 /nfs/dbraw/zinc/38/50/47/143385047.db2.gz RUFVJHHGKHYTQA-RDJZCZTQSA-N 2 0 338.496 1.080 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000347978998 143386856 /nfs/dbraw/zinc/38/68/56/143386856.db2.gz QOXAYGNZNZXCEX-HZPDHXFCSA-N 2 0 340.512 1.163 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[N@H+](C)C1 ZINC000348032862 143394086 /nfs/dbraw/zinc/39/40/86/143394086.db2.gz PHIDPNMKDONNGL-DLBZAZTESA-N 2 0 338.496 1.221 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000573355209 306619235 /nfs/dbraw/zinc/61/92/35/306619235.db2.gz CPZJHZZTHIZUHI-ARLBYUKCSA-N 2 0 337.489 1.633 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416855623 304352003 /nfs/dbraw/zinc/35/20/03/304352003.db2.gz WCTXLEQUWZDNOF-ZBFHGGJFSA-N 2 0 334.464 1.739 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000416857094 304352029 /nfs/dbraw/zinc/35/20/29/304352029.db2.gz XRRCNJSQQGYOST-WBVHZDCISA-N 2 0 346.475 1.883 20 0 EDADRP CO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451850968 286096346 /nfs/dbraw/zinc/09/63/46/286096346.db2.gz MEKJZDHVTFVHMM-SJORKVTESA-N 2 0 335.492 1.619 20 0 EDADRP CN(CC(=O)N1CCO[C@H]2CCCC[C@@H]21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921725 149216115 /nfs/dbraw/zinc/21/61/15/149216115.db2.gz KWOBAAHMPOOZAI-MPBYHJMHSA-N 2 0 335.492 1.713 20 0 EDADRP COCCCn1nccc1C[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353217008 149328837 /nfs/dbraw/zinc/32/88/37/149328837.db2.gz YBNUWOQJGWOQBF-UHFFFAOYSA-N 2 0 326.510 1.837 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353245890 149338347 /nfs/dbraw/zinc/33/83/47/149338347.db2.gz PMMDYJASKYAUBT-SFHVURJKSA-N 2 0 340.512 1.247 20 0 EDADRP CC[NH2+]CCNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416965181 304356800 /nfs/dbraw/zinc/35/68/00/304356800.db2.gz CWUNYPVARPZTDI-IYBDPMFKSA-N 2 0 348.491 1.705 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416973320 304358152 /nfs/dbraw/zinc/35/81/52/304358152.db2.gz JRWVNJGCFHOVFE-MJGOQNOKSA-N 2 0 342.487 1.697 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000416973802 304358779 /nfs/dbraw/zinc/35/87/79/304358779.db2.gz VSMSIAFLTUOZDX-MRXNPFEDSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000416976457 304359450 /nfs/dbraw/zinc/35/94/50/304359450.db2.gz QXRLTFGNRIEFHK-HNNXBMFYSA-N 2 0 333.480 1.973 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000354979900 150063812 /nfs/dbraw/zinc/06/38/12/150063812.db2.gz WFVHDSCGWVIDJB-INIZCTEOSA-N 2 0 332.448 1.613 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000355068853 150101940 /nfs/dbraw/zinc/10/19/40/150101940.db2.gz BCYMQRMYFGSSNI-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000355095637 150114461 /nfs/dbraw/zinc/11/44/61/150114461.db2.gz QJISVWQXDYAHCR-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417036994 304364123 /nfs/dbraw/zinc/36/41/23/304364123.db2.gz SZFIGRBMCACSSP-HXUWFJFHSA-N 2 0 342.487 1.830 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000356276553 150579865 /nfs/dbraw/zinc/57/98/65/150579865.db2.gz IRRAPNFQFJUUDQ-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000573785503 306633823 /nfs/dbraw/zinc/63/38/23/306633823.db2.gz ALADANKKPZJOJO-GASCZTMLSA-N 2 0 338.496 1.412 20 0 EDADRP CC1(C)CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000357350975 151003983 /nfs/dbraw/zinc/00/39/83/151003983.db2.gz SBWBQNXNHVWARK-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1ccnc(C[NH3+])c1 ZINC000357349468 151004072 /nfs/dbraw/zinc/00/40/72/151004072.db2.gz GRSTYEFRRCATSX-UHFFFAOYSA-N 2 0 330.407 1.883 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CC[NH2+]1 ZINC000357359548 151007446 /nfs/dbraw/zinc/00/74/46/151007446.db2.gz CANCJZWEFUYKCK-AWEZNQCLSA-N 2 0 329.366 1.958 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2ccc(F)cc2)CC1 ZINC000357649218 151101901 /nfs/dbraw/zinc/10/19/01/151101901.db2.gz OQOCSZCQHPNYDD-AWEZNQCLSA-N 2 0 337.439 1.789 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357658979 151105568 /nfs/dbraw/zinc/10/55/68/151105568.db2.gz CINWVZJDJZMKID-ULQDDVLXSA-N 2 0 342.528 1.905 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000357913460 151193042 /nfs/dbraw/zinc/19/30/42/151193042.db2.gz NRRDVANLHKWVET-KBPBESRZSA-N 2 0 333.567 1.565 20 0 EDADRP CCCCOC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370061403 155308755 /nfs/dbraw/zinc/30/87/55/155308755.db2.gz UGFPBNXHHSKMON-SFHVURJKSA-N 2 0 328.497 1.598 20 0 EDADRP CO[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000359207448 151635359 /nfs/dbraw/zinc/63/53/59/151635359.db2.gz HCJHOXJYYGUKAB-GUDVDZBRSA-N 2 0 345.487 1.863 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CCC(=O)N2CCCCC2)C1 ZINC000359592878 151762217 /nfs/dbraw/zinc/76/22/17/151762217.db2.gz ZQQMRMAXCNRVAM-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360572593 152103594 /nfs/dbraw/zinc/10/35/94/152103594.db2.gz XOZLTMWVXDQLBP-IBGZPJMESA-N 2 0 327.428 1.748 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360742804 152180947 /nfs/dbraw/zinc/18/09/47/152180947.db2.gz AUSNUIATXKAVIJ-GOEBONIOSA-N 2 0 328.526 1.549 20 0 EDADRP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360748690 152184221 /nfs/dbraw/zinc/18/42/21/152184221.db2.gz XBJQJAFMEFPMBA-ZBFHGGJFSA-N 2 0 326.510 1.302 20 0 EDADRP CN(C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000417146500 304377865 /nfs/dbraw/zinc/37/78/65/304377865.db2.gz YKBICWBPHBZQNG-UHFFFAOYSA-N 2 0 345.491 1.202 20 0 EDADRP COCC[NH+]1CCC(Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000361077141 152296314 /nfs/dbraw/zinc/29/63/14/152296314.db2.gz FVYORTIONXWNLP-IBGZPJMESA-N 2 0 333.476 1.776 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(N2CCOCC2)c1 ZINC000361165920 152324325 /nfs/dbraw/zinc/32/43/25/152324325.db2.gz ZPJDQOAXGCGDTC-QGZVFWFLSA-N 2 0 347.503 1.878 20 0 EDADRP C[C@@H](CNC(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCCC[C@@H]1C ZINC000361290209 152355359 /nfs/dbraw/zinc/35/53/59/152355359.db2.gz OTUIXVRUZHQIIC-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CCN1CC[NH+](CC)CC1 ZINC000361374652 152376396 /nfs/dbraw/zinc/37/63/96/152376396.db2.gz AGDWOFRAGZNIMA-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000363686683 153029571 /nfs/dbraw/zinc/02/95/71/153029571.db2.gz MCHFVWAUCIEXOC-KRWDZBQOSA-N 2 0 346.475 1.126 20 0 EDADRP CCOC(=O)[C@H](CC(C)C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363723685 153039635 /nfs/dbraw/zinc/03/96/35/153039635.db2.gz WXRARUGPYAWGLW-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000363731181 153041160 /nfs/dbraw/zinc/04/11/60/153041160.db2.gz CYVSEIOSIATXCX-JKSUJKDBSA-N 2 0 340.512 1.203 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)C(C)(C)CN2CCn3ccnc3C2)CC1 ZINC000363993549 153117031 /nfs/dbraw/zinc/11/70/31/153117031.db2.gz DANRUUDPEXEWEV-UHFFFAOYSA-N 2 0 331.464 1.103 20 0 EDADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)co1 ZINC000364565444 153272174 /nfs/dbraw/zinc/27/21/74/153272174.db2.gz ZOHBYWAEHCMQEU-QGZVFWFLSA-N 2 0 329.400 1.369 20 0 EDADRP CC(C)N1CCc2nc(C[NH2+]C[C@@]3(O)CCO[C@@H]3C)sc2C1 ZINC000364779059 153330885 /nfs/dbraw/zinc/33/08/85/153330885.db2.gz DXLBUVWBISNYDM-WBMJQRKESA-N 2 0 325.478 1.539 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1cccs1 ZINC000364849227 153351258 /nfs/dbraw/zinc/35/12/58/153351258.db2.gz FWMQKXDGTFKOSU-HNNXBMFYSA-N 2 0 329.469 1.963 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccccc1 ZINC000417227579 304385929 /nfs/dbraw/zinc/38/59/29/304385929.db2.gz CMCSDPCFUKNPDF-HDICACEKSA-N 2 0 330.476 1.759 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367149902 154023009 /nfs/dbraw/zinc/02/30/09/154023009.db2.gz ZXZSLVCADNMPJL-LJQANCHMSA-N 2 0 344.503 1.535 20 0 EDADRP C[C@H]1CCC[N@@H+]1C1CCN(C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000367274561 154063611 /nfs/dbraw/zinc/06/36/11/154063611.db2.gz NGZBPBKMJRJDNK-GJZGRUSLSA-N 2 0 329.510 1.217 20 0 EDADRP COC(=O)CNC(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000367483006 154143903 /nfs/dbraw/zinc/14/39/03/154143903.db2.gz JCLASRKGRGKBKC-VQIMIIECSA-N 2 0 347.459 1.338 20 0 EDADRP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367588724 154190187 /nfs/dbraw/zinc/19/01/87/154190187.db2.gz NPAUENKKTOCIMH-BBWFWOEESA-N 2 0 337.489 1.557 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000367746218 154254062 /nfs/dbraw/zinc/25/40/62/154254062.db2.gz FKWGAWQTENPWNC-QGZVFWFLSA-N 2 0 327.476 1.935 20 0 EDADRP O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599057 155103796 /nfs/dbraw/zinc/10/37/96/155103796.db2.gz GRTHEPZZSWVKPP-QRQLOZEOSA-N 2 0 343.471 1.598 20 0 EDADRP O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599056 155104022 /nfs/dbraw/zinc/10/40/22/155104022.db2.gz GRTHEPZZSWVKPP-NZSAHSFTSA-N 2 0 343.471 1.598 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@H](OC)C[C@H]2C[NH3+])CC1 ZINC000417394582 304396135 /nfs/dbraw/zinc/39/61/35/304396135.db2.gz QIYFPEMBAHVAON-HOTGVXAUSA-N 2 0 326.485 1.399 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000247335430 292335975 /nfs/dbraw/zinc/33/59/75/292335975.db2.gz XELRZGVYWBGALT-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000417503969 304401271 /nfs/dbraw/zinc/40/12/71/304401271.db2.gz DTEQEAOQNGVBCJ-UHFFFAOYSA-N 2 0 348.491 1.611 20 0 EDADRP C[N@H+](CCC1CC1)CC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000372175053 156255392 /nfs/dbraw/zinc/25/53/92/156255392.db2.gz DQBFKSJOYLOWPU-LJQANCHMSA-N 2 0 345.487 1.736 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])CCCC2)CC1 ZINC000417547668 304404690 /nfs/dbraw/zinc/40/46/90/304404690.db2.gz OYFUNIFOLNARFW-KGLIPLIRSA-N 2 0 326.485 1.445 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000369756464 292352126 /nfs/dbraw/zinc/35/21/26/292352126.db2.gz GEDOQSRDSTYKIE-KRWDZBQOSA-N 2 0 325.497 1.822 20 0 EDADRP COCCCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299173 157230443 /nfs/dbraw/zinc/23/04/43/157230443.db2.gz YBMZYPXBAOXDKB-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP CN1CCN(C2CC[NH+](Cc3cccc4cccnc43)CC2)C(=O)C1 ZINC000374765469 157392709 /nfs/dbraw/zinc/39/27/09/157392709.db2.gz VJRJPMDTALQVLQ-UHFFFAOYSA-N 2 0 338.455 1.973 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000377935609 158033467 /nfs/dbraw/zinc/03/34/67/158033467.db2.gz BIFYTRYNRGMCRK-NBOOPKSLSA-N 2 0 347.507 1.650 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000378186940 158103434 /nfs/dbraw/zinc/10/34/34/158103434.db2.gz GIBRKWRPYGMDNN-HKUYNNGSSA-N 2 0 333.476 1.942 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200727 158106656 /nfs/dbraw/zinc/10/66/56/158106656.db2.gz MGJZYAJBWLAPKT-MSOLQXFVSA-N 2 0 330.476 1.315 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000378422083 158168920 /nfs/dbraw/zinc/16/89/20/158168920.db2.gz AQZUXZLZDXEOFI-GOEBONIOSA-N 2 0 335.496 1.528 20 0 EDADRP Cc1nnsc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000576168613 306679786 /nfs/dbraw/zinc/67/97/86/306679786.db2.gz QRSUAUXMPKUBPR-UHFFFAOYSA-N 2 0 345.472 1.570 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC2(C)CC[NH2+]CC2)ccn1 ZINC000417952237 304437533 /nfs/dbraw/zinc/43/75/33/304437533.db2.gz ODYRMYIMAYGJJK-UHFFFAOYSA-N 2 0 349.479 1.211 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000352202465 162046961 /nfs/dbraw/zinc/04/69/61/162046961.db2.gz YVDLVWGJSZVRJL-NVXWUHKLSA-N 2 0 341.521 1.939 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000352284288 162093231 /nfs/dbraw/zinc/09/32/31/162093231.db2.gz BYWSPXKGUCZSJT-QZTJIDSGSA-N 2 0 329.444 1.437 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000352431433 162177104 /nfs/dbraw/zinc/17/71/04/162177104.db2.gz LJTBFKZQFHSZQP-GOSISDBHSA-N 2 0 336.524 1.395 20 0 EDADRP CC1(C)C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000352454860 162190793 /nfs/dbraw/zinc/19/07/93/162190793.db2.gz DVJRDMKRVKMIMS-INIZCTEOSA-N 2 0 345.491 1.939 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000361880050 162305415 /nfs/dbraw/zinc/30/54/15/162305415.db2.gz KGGUNDGRKLGIPK-HNNXBMFYSA-N 2 0 331.460 1.921 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000120942340 287035338 /nfs/dbraw/zinc/03/53/38/287035338.db2.gz OPYFARLKIDFXAH-JKSUJKDBSA-N 2 0 333.476 1.992 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000418057476 304452428 /nfs/dbraw/zinc/45/24/28/304452428.db2.gz MXSXMOCOCXFVAT-MSOLQXFVSA-N 2 0 330.476 1.827 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418064624 304453353 /nfs/dbraw/zinc/45/33/53/304453353.db2.gz JYOWZPUJUZETAC-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000068565635 287249622 /nfs/dbraw/zinc/24/96/22/287249622.db2.gz GPXVDANBDPLNQY-UHFFFAOYSA-N 2 0 336.455 1.993 20 0 EDADRP C[NH+]1CCC(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000073244753 287258938 /nfs/dbraw/zinc/25/89/38/287258938.db2.gz ZWVAQZCKNCISFR-UHFFFAOYSA-N 2 0 344.503 1.506 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000073596307 287261704 /nfs/dbraw/zinc/26/17/04/287261704.db2.gz RTGUCJFXNRTQSL-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000073676327 287262704 /nfs/dbraw/zinc/26/27/04/287262704.db2.gz FAESHJHZWDQQRP-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074223565 287269417 /nfs/dbraw/zinc/26/94/17/287269417.db2.gz BKAMIEANLDIUEI-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000121205567 287368765 /nfs/dbraw/zinc/36/87/65/287368765.db2.gz TYURZSRIIPEEGL-HUUCEWRRSA-N 2 0 339.505 1.929 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122807518 287383334 /nfs/dbraw/zinc/38/33/34/287383334.db2.gz NPKWNDNJCBXDKE-CVEARBPZSA-N 2 0 340.512 1.659 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000418372191 304487440 /nfs/dbraw/zinc/48/74/40/304487440.db2.gz QPPGITXTZVUVRM-PVAVHDDUSA-N 2 0 332.448 1.192 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000418389128 304489464 /nfs/dbraw/zinc/48/94/64/304489464.db2.gz NYOKJXVYFSURMA-LBPRGKRZSA-N 2 0 338.418 1.900 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000130637895 287496422 /nfs/dbraw/zinc/49/64/22/287496422.db2.gz BVSGXOIKDKQTEU-MRXNPFEDSA-N 2 0 331.460 1.829 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418479055 304500169 /nfs/dbraw/zinc/50/01/69/304500169.db2.gz XYFIMQBRAINACS-OAHLLOKOSA-N 2 0 326.485 1.115 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC1 ZINC000273004862 273024645 /nfs/dbraw/zinc/02/46/45/273024645.db2.gz PZUOTFXQJNUEBS-SFHVURJKSA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000274672072 268180647 /nfs/dbraw/zinc/18/06/47/268180647.db2.gz IFHIDGKYMJYQBY-RYRKJORJSA-N 2 0 333.476 1.762 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000275364332 268330747 /nfs/dbraw/zinc/33/07/47/268330747.db2.gz XVANTJOJZTVEIG-INIZCTEOSA-N 2 0 344.503 1.679 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO)c1ccccc1 ZINC000279330184 273293449 /nfs/dbraw/zinc/29/34/49/273293449.db2.gz TVDOMOOESARZTF-BPQIPLTHSA-N 2 0 333.476 1.546 20 0 EDADRP C[N@H+](CCCCCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000279771459 273325922 /nfs/dbraw/zinc/32/59/22/273325922.db2.gz SVGSMVUUXTUPHD-UHFFFAOYSA-N 2 0 347.503 1.993 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000418194233 274036401 /nfs/dbraw/zinc/03/64/01/274036401.db2.gz OTTUSVZAYXQHKO-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1cccn1C ZINC000352824626 276377690 /nfs/dbraw/zinc/37/76/90/276377690.db2.gz ABMJOHNXMNQCMK-HNNXBMFYSA-N 2 0 334.464 1.082 20 0 EDADRP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000363532387 277062219 /nfs/dbraw/zinc/06/22/19/277062219.db2.gz JFOXNWWHORVVJF-JKSUJKDBSA-N 2 0 339.480 1.252 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417089474 277301026 /nfs/dbraw/zinc/30/10/26/277301026.db2.gz PITJVSCBUHBYIZ-KRWDZBQOSA-N 2 0 330.476 1.860 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[NH+]1CCC(C)CC1 ZINC000362557507 277743763 /nfs/dbraw/zinc/74/37/63/277743763.db2.gz CCLUUUDAMRRZHK-CRAIPNDOSA-N 2 0 347.507 1.973 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000271145527 278262458 /nfs/dbraw/zinc/26/24/58/278262458.db2.gz TUYDWQWWJVLUOH-UONOGXRCSA-N 2 0 325.478 1.435 20 0 EDADRP CC(C)(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000417835384 278266058 /nfs/dbraw/zinc/26/60/58/278266058.db2.gz VYWDTXCDSLUPMI-IAGOWNOFSA-N 2 0 330.476 1.219 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccnc1C ZINC000286504329 288021861 /nfs/dbraw/zinc/02/18/61/288021861.db2.gz RLUMBLXCEPGLAV-GOSISDBHSA-N 2 0 332.492 1.807 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000371839232 279311186 /nfs/dbraw/zinc/31/11/86/279311186.db2.gz REFPUUWWHSXNCA-GVDBMIGSSA-N 2 0 338.496 1.271 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000373266744 279332577 /nfs/dbraw/zinc/33/25/77/279332577.db2.gz YZFTWRPIWKKQSJ-RDJZCZTQSA-N 2 0 338.496 1.365 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977836 279358853 /nfs/dbraw/zinc/35/88/53/279358853.db2.gz YWKULIUHJOWHFE-INIZCTEOSA-N 2 0 347.507 1.801 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000262738535 279668001 /nfs/dbraw/zinc/66/80/01/279668001.db2.gz CJYATBIJQRGQHH-AEFFLSMTSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000133579607 280010163 /nfs/dbraw/zinc/01/01/63/280010163.db2.gz YOBJCFPJSFOHRG-DLBZAZTESA-N 2 0 332.496 1.061 20 0 EDADRP CC(C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[NH+]1CCC(C)CC1 ZINC000362557509 280253158 /nfs/dbraw/zinc/25/31/58/280253158.db2.gz CCLUUUDAMRRZHK-QAPCUYQASA-N 2 0 347.507 1.973 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])CCC(=O)OC)c1 ZINC000289699728 288762751 /nfs/dbraw/zinc/76/27/51/288762751.db2.gz FFKONISHOOEHCE-MRXNPFEDSA-N 2 0 335.448 1.425 20 0 EDADRP CN(C[C@](C)(O)C[N@@H+]1CC[C@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496174567 289213820 /nfs/dbraw/zinc/21/38/20/289213820.db2.gz XHXGZYNRFBJAHG-PBHICJAKSA-N 2 0 329.485 1.488 20 0 EDADRP Cc1nc2sccn2c(=O)c1CC[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292037604 289245725 /nfs/dbraw/zinc/24/57/25/289245725.db2.gz ABQGTYWERJYHGH-KRWDZBQOSA-N 2 0 332.473 1.635 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000292058256 289251810 /nfs/dbraw/zinc/25/18/10/289251810.db2.gz JWTAMJXSJLGOOL-MRXNPFEDSA-N 2 0 332.492 1.681 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000292127554 289267465 /nfs/dbraw/zinc/26/74/65/289267465.db2.gz RESGFGFWNMLLHK-SFHVURJKSA-N 2 0 345.487 1.792 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292262958 289301089 /nfs/dbraw/zinc/30/10/89/289301089.db2.gz YWIPDOPTELGYBR-QGZVFWFLSA-N 2 0 337.489 1.465 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)C2)CC1 ZINC000418772902 289895155 /nfs/dbraw/zinc/89/51/55/289895155.db2.gz UZOQTJGLAUERJZ-UONOGXRCSA-N 2 0 330.423 1.357 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785305 290243510 /nfs/dbraw/zinc/24/35/10/290243510.db2.gz RMHFMPNVWQLDKG-MOPGFXCFSA-N 2 0 327.472 1.931 20 0 EDADRP [NH2+]=C(NO)[C@H]1CCCCN1CCCCN1CCCC[C@H]1C(=[NH2+])NO ZINC000368527372 295007199 /nfs/dbraw/zinc/00/71/99/295007199.db2.gz RGWQHHQAXMCWNL-OKILXGFUSA-N 2 0 340.472 1.388 20 0 EDADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770624 295202297 /nfs/dbraw/zinc/20/22/97/295202297.db2.gz DQMIXTXJAUIBDX-RCCFBDPRSA-N 2 0 325.456 1.425 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261875714 297397985 /nfs/dbraw/zinc/39/79/85/297397985.db2.gz SSOWCOFFYUGWIN-UEKVPHQBSA-N 2 0 340.265 1.819 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418634667 304522446 /nfs/dbraw/zinc/52/24/46/304522446.db2.gz JMAWVEOQMHEECD-QGZVFWFLSA-N 2 0 330.476 1.999 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418658365 304526727 /nfs/dbraw/zinc/52/67/27/304526727.db2.gz VQCIACLDKBEXSW-QGZVFWFLSA-N 2 0 327.432 1.477 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@H]1C ZINC000417738738 297547136 /nfs/dbraw/zinc/54/71/36/297547136.db2.gz PLOZDUIVZSFPAX-GJZGRUSLSA-N 2 0 330.476 1.477 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419126011 304567567 /nfs/dbraw/zinc/56/75/67/304567567.db2.gz VDWMSWIECHUSDV-WBVHZDCISA-N 2 0 346.475 1.183 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)NC3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000377713063 447309847 /nfs/dbraw/zinc/30/98/47/447309847.db2.gz RPVZCHWAHOUQFW-RHSMWYFYSA-N 2 0 348.495 1.196 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419658942 304653194 /nfs/dbraw/zinc/65/31/94/304653194.db2.gz ZJIXRZUEVMJWSE-GJZGRUSLSA-N 2 0 346.475 1.052 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000419706177 304667757 /nfs/dbraw/zinc/66/77/57/304667757.db2.gz CBPNGMZMGCQWEJ-HUUCEWRRSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000333376304 300722029 /nfs/dbraw/zinc/72/20/29/300722029.db2.gz NBORVDGUPXAEES-YQVWRLOYSA-N 2 0 331.460 1.605 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[NH+]2CCCC2)o1 ZINC000372842354 447311823 /nfs/dbraw/zinc/31/18/23/447311823.db2.gz OYOLYVGZMSZRRS-SJORKVTESA-N 2 0 346.475 1.231 20 0 EDADRP COC(=O)c1ccccc1OCC[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420291552 304743628 /nfs/dbraw/zinc/74/36/28/304743628.db2.gz NXOJRDDTUJTZNS-UHFFFAOYSA-N 2 0 336.432 1.682 20 0 EDADRP Cc1cccc([C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])N2CCOCC2)c1 ZINC000422868080 302032147 /nfs/dbraw/zinc/03/21/47/302032147.db2.gz UHMDQJWVQMVKRM-AFYVEPGGSA-N 2 0 347.503 1.710 20 0 EDADRP CN(CC[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000293832240 303025990 /nfs/dbraw/zinc/02/59/90/303025990.db2.gz PUMOOLQDCRFCHY-IBGZPJMESA-N 2 0 337.483 1.687 20 0 EDADRP C[C@H]([NH2+]CCN1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737959 303141066 /nfs/dbraw/zinc/14/10/66/303141066.db2.gz CBHPNRPJTOOSKU-HKUYNNGSSA-N 2 0 331.504 1.943 20 0 EDADRP COc1nccc(C[NH2+]C2CCN(c3cc(C)nc(C)n3)CC2)n1 ZINC000295548953 303233561 /nfs/dbraw/zinc/23/35/61/303233561.db2.gz YEKMUTRORFGXGP-UHFFFAOYSA-N 2 0 328.420 1.651 20 0 EDADRP CCn1cc([C@H](C)[NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)cn1 ZINC000296009900 303289806 /nfs/dbraw/zinc/28/98/06/303289806.db2.gz LDMZBZLXTMXDEA-YJBOKZPZSA-N 2 0 343.475 1.973 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](C)[NH2+]C2CC2)CC1 ZINC000296532355 303322668 /nfs/dbraw/zinc/32/26/68/303322668.db2.gz SQZDMZATCVWZTB-INIZCTEOSA-N 2 0 344.503 1.581 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H]2CC[NH+](CCOC)C2)[C@H](C)C1 ZINC000448524689 447327460 /nfs/dbraw/zinc/32/74/60/447327460.db2.gz KITODJSRFCIKGK-OAGGEKHMSA-N 2 0 326.485 1.079 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000418774808 303358687 /nfs/dbraw/zinc/35/86/87/303358687.db2.gz VUQHOFOAUOUZCG-YLZHBAORSA-N 2 0 346.519 1.827 20 0 EDADRP C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)[C@H]1[NH3+] ZINC000297377995 303391795 /nfs/dbraw/zinc/39/17/95/303391795.db2.gz MOXQPYWATHTAHM-ZWOKBUDYSA-N 2 0 344.503 1.783 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn2ccccc2n1 ZINC000299419360 303617135 /nfs/dbraw/zinc/61/71/35/303617135.db2.gz BBNNYRRBNJCKCW-UHFFFAOYSA-N 2 0 331.464 1.680 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C(C)C)CC2)c1 ZINC000377759571 447340128 /nfs/dbraw/zinc/34/01/28/447340128.db2.gz ZWBWPDXJHNAOTJ-NVXWUHKLSA-N 2 0 332.448 1.373 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422966349 304881647 /nfs/dbraw/zinc/88/16/47/304881647.db2.gz RBPMGMKYMUFFRN-ZBFHGGJFSA-N 2 0 331.526 1.544 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000423079270 304884466 /nfs/dbraw/zinc/88/44/66/304884466.db2.gz XXTBNQFSQGBSBK-ZBFHGGJFSA-N 2 0 326.462 1.324 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000423115792 304887218 /nfs/dbraw/zinc/88/72/18/304887218.db2.gz OFVBQLSAACGKRH-ZNMIVQPWSA-N 2 0 337.464 1.051 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156738 304888709 /nfs/dbraw/zinc/88/87/09/304888709.db2.gz UDWACBMWJLVLKK-WQDJSCAQSA-N 2 0 343.471 1.695 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCC12CCOCC2)N1CC[NH2+]CC1 ZINC000423398576 304894424 /nfs/dbraw/zinc/89/44/24/304894424.db2.gz VPKMHYNBFMLKDG-ZIAGYGMSSA-N 2 0 335.414 1.761 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000423847042 304911959 /nfs/dbraw/zinc/91/19/59/304911959.db2.gz QXJBZFSOWFNCLY-SZMVWBNQSA-N 2 0 337.508 1.866 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC000424017005 304925386 /nfs/dbraw/zinc/92/53/86/304925386.db2.gz FFLTWKCWGZVOKO-PKOBYXMFSA-N 3 0 342.487 1.096 20 0 EDADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000429163421 305024848 /nfs/dbraw/zinc/02/48/48/305024848.db2.gz NDAXHTYIHDGVII-MJGOQNOKSA-N 2 0 344.503 1.785 20 0 EDADRP CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430570253 305056349 /nfs/dbraw/zinc/05/63/49/305056349.db2.gz BNLVQVZLUUIKRA-LJQANCHMSA-N 2 0 349.475 1.769 20 0 EDADRP C[C@](C[NH3+])(NCC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000430569992 305056407 /nfs/dbraw/zinc/05/64/07/305056407.db2.gz JSRIDCJIBFDLDF-OAHLLOKOSA-N 2 0 345.365 1.918 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000430623031 305059718 /nfs/dbraw/zinc/05/97/18/305059718.db2.gz GGNHFBLILLAHKW-UHFFFAOYSA-N 2 0 325.840 1.506 20 0 EDADRP COCC[C@]1(C(=O)NCC2([NH+](C)C)CCCCCC2)CC[NH2+]C1 ZINC000430838061 305065678 /nfs/dbraw/zinc/06/56/78/305065678.db2.gz NRXIAIDAYRJSES-QGZVFWFLSA-N 2 0 325.497 1.773 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430914288 305067810 /nfs/dbraw/zinc/06/78/10/305067810.db2.gz IYFILYBIWZUNDL-QGZVFWFLSA-N 2 0 346.475 1.348 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430922093 305068222 /nfs/dbraw/zinc/06/82/22/305068222.db2.gz XHEXKCQULFQDKZ-UHFFFAOYSA-N 2 0 348.466 1.406 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000430963011 305071327 /nfs/dbraw/zinc/07/13/27/305071327.db2.gz RRPXZKXAUZUGMQ-ZFWWWQNUSA-N 2 0 333.432 1.002 20 0 EDADRP CC[NH+](CC)CCOC1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431075906 305074436 /nfs/dbraw/zinc/07/44/36/305074436.db2.gz HRHNQGVEVWIVAC-UHFFFAOYSA-N 2 0 339.484 1.586 20 0 EDADRP CC[N@H+](CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC000433083053 305099859 /nfs/dbraw/zinc/09/98/59/305099859.db2.gz MNDXEPNRDIUCQH-UHFFFAOYSA-N 2 0 325.478 1.511 20 0 EDADRP COC(=O)C1(NC(=O)CCC[NH+]2CCC([NH3+])CC2)CCCCCC1 ZINC000433126977 305101178 /nfs/dbraw/zinc/10/11/78/305101178.db2.gz FSMPVYFIKDWZJO-UHFFFAOYSA-N 2 0 339.480 1.572 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC2CC[NH+](C)CC2)CCCO1 ZINC000433327327 305106016 /nfs/dbraw/zinc/10/60/16/305106016.db2.gz RSNJYYFETFVNFX-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433387268 305107555 /nfs/dbraw/zinc/10/75/55/305107555.db2.gz GESXUYFQVBHBCB-LSDHHAIUSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccccc1OCC(=O)NCC1CC1 ZINC000435374161 305139418 /nfs/dbraw/zinc/13/94/18/305139418.db2.gz HNXGHPCADQFDLX-GDBMZVCRSA-N 2 0 331.460 1.761 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000436053818 305151490 /nfs/dbraw/zinc/15/14/90/305151490.db2.gz QQDDICWCVXEKOO-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000438840551 305189883 /nfs/dbraw/zinc/18/98/83/305189883.db2.gz ZQLUPPMPOCXNAU-SFHVURJKSA-N 2 0 343.475 1.803 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC[NH2+]C(C)(C)C ZINC000439546822 305199865 /nfs/dbraw/zinc/19/98/65/305199865.db2.gz FXSAZELESPNPGL-UHFFFAOYSA-N 2 0 334.464 1.234 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442890546 305230393 /nfs/dbraw/zinc/23/03/93/305230393.db2.gz OTVIJAQGNRQQPH-NSHDSACASA-N 2 0 334.386 1.953 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442893324 305230643 /nfs/dbraw/zinc/23/06/43/305230643.db2.gz GEDVYPGJFGZBOA-UHFFFAOYSA-N 2 0 344.569 1.204 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447302749 305277472 /nfs/dbraw/zinc/27/74/72/305277472.db2.gz FYNUIGHQLIUSEY-LISAXSMJSA-N 2 0 328.497 1.641 20 0 EDADRP CC[NH+]1C[C@@H](C)N(C[C@H](O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316134 305278123 /nfs/dbraw/zinc/27/81/23/305278123.db2.gz WECARWZHNXHBFB-LTFXXXRZSA-N 2 0 340.556 1.176 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000447433963 305280109 /nfs/dbraw/zinc/28/01/09/305280109.db2.gz DERZEIFDYSPTBE-GDBMZVCRSA-N 2 0 338.521 1.976 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449131761 305307308 /nfs/dbraw/zinc/30/73/08/305307308.db2.gz PIHHREFBODYWDT-GOEBONIOSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000449243468 305309531 /nfs/dbraw/zinc/30/95/31/305309531.db2.gz KZSCHZZGKAGNNP-YLJYHZDGSA-N 2 0 331.504 1.738 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CCOCC1)c1ccccc1 ZINC000449351946 305312389 /nfs/dbraw/zinc/31/23/89/305312389.db2.gz SGACCHLETSZJSI-SOLBZPMBSA-N 2 0 345.487 1.858 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449360632 305312623 /nfs/dbraw/zinc/31/26/23/305312623.db2.gz HRCPPWSDAHMUIB-HKUYNNGSSA-N 2 0 333.476 1.391 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000452342585 305390133 /nfs/dbraw/zinc/39/01/33/305390133.db2.gz IEDNZJCQCDVDON-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495869434 305651599 /nfs/dbraw/zinc/65/15/99/305651599.db2.gz OOZZYOPUUZBIEG-HNNXBMFYSA-N 2 0 342.528 1.905 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1OC ZINC000414933055 447362637 /nfs/dbraw/zinc/36/26/37/447362637.db2.gz WLAIFGDIXJJPIL-LSDHHAIUSA-N 2 0 335.448 1.570 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000529339250 305910286 /nfs/dbraw/zinc/91/02/86/305910286.db2.gz OANISOXKJZUYCO-IRXDYDNUSA-N 2 0 338.496 1.304 20 0 EDADRP COCC1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000531739174 305965430 /nfs/dbraw/zinc/96/54/30/305965430.db2.gz CJNBDNCPQRJHOS-UHFFFAOYSA-N 2 0 347.463 1.072 20 0 EDADRP OCC1([NH2+]C/C=C/C[NH2+]C2(CO)CCSCC2)CCSCC1 ZINC000660777561 453572082 /nfs/dbraw/zinc/57/20/82/453572082.db2.gz RVNRYHBUDDYSKD-OWOJBTEDSA-N 2 0 346.562 1.238 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000534612938 306008287 /nfs/dbraw/zinc/00/82/87/306008287.db2.gz SUOSGPVFVMZISQ-UHFFFAOYSA-N 2 0 340.431 1.122 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CCN(C)c3cc[nH+]cc3)C2)CC1 ZINC000542784265 306058213 /nfs/dbraw/zinc/05/82/13/306058213.db2.gz AOFPKXSMTLJHKC-SFHVURJKSA-N 2 0 345.491 1.146 20 0 EDADRP COc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000550720941 306153880 /nfs/dbraw/zinc/15/38/80/306153880.db2.gz HQFDAQQYVLZZHX-UHFFFAOYSA-N 2 0 327.856 1.914 20 0 EDADRP CCC[NH+]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000551903654 306167280 /nfs/dbraw/zinc/16/72/80/306167280.db2.gz MAOSGWRXLPKPTC-SFHVURJKSA-N 2 0 330.476 1.848 20 0 EDADRP CC[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000556850956 306220153 /nfs/dbraw/zinc/22/01/53/306220153.db2.gz XFXWJPFQXXMSNM-AZUAARDMSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C[C@H](C)O1 ZINC000557137680 306224785 /nfs/dbraw/zinc/22/47/85/306224785.db2.gz AGMXLRWOHXVNQQ-XQQFMLRXSA-N 2 0 348.438 1.171 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000449708229 447388420 /nfs/dbraw/zinc/38/84/20/447388420.db2.gz GAYIICRLPIWZPM-ZDUSSCGKSA-N 2 0 331.416 1.603 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422207838 447403423 /nfs/dbraw/zinc/40/34/23/447403423.db2.gz QPYCHPCKYDHDFM-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419808532 447426680 /nfs/dbraw/zinc/42/66/80/447426680.db2.gz UVQODJIZLJDUCX-HUUCEWRRSA-N 2 0 338.496 1.143 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419814878 447428263 /nfs/dbraw/zinc/42/82/63/447428263.db2.gz KNMRKXPJQALCGS-HNNXBMFYSA-N 2 0 340.512 1.199 20 0 EDADRP CC(C)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751565 441029983 /nfs/dbraw/zinc/02/99/83/441029983.db2.gz SOPNRNUZVNLYJG-KRWDZBQOSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nn(C)c2sc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc12 ZINC000103211515 441177178 /nfs/dbraw/zinc/17/71/78/441177178.db2.gz MNVZWQQILCFVIU-UHFFFAOYSA-N 2 0 337.493 1.509 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000105147335 441238209 /nfs/dbraw/zinc/23/82/09/441238209.db2.gz NCBPCNJYTSCGKS-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CN1CCO[C@@H](CNC(=O)NCc2ccc(Cn3ccnc3)cc2)C1 ZINC000104789648 441209777 /nfs/dbraw/zinc/20/97/77/441209777.db2.gz VZTFLVWIPOAJPT-KRWDZBQOSA-N 2 0 343.431 1.061 20 0 EDADRP O=C(CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1)N1CCOCC1 ZINC000048565227 441312855 /nfs/dbraw/zinc/31/28/55/441312855.db2.gz QYAQJCGQTIUNNV-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000074616281 441450664 /nfs/dbraw/zinc/45/06/64/441450664.db2.gz HIBJDACCWOPLNU-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](CCC(C)(C)C)CC2)C[C@H](C)O1 ZINC000066483607 441537661 /nfs/dbraw/zinc/53/76/61/441537661.db2.gz POPRYMHWAOPMHY-FGTMMUONSA-N 2 0 341.540 1.510 20 0 EDADRP CC(C)COC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000054326450 441571615 /nfs/dbraw/zinc/57/16/15/441571615.db2.gz WNKYTPLRMSDXCX-UHFFFAOYSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000090186153 441625611 /nfs/dbraw/zinc/62/56/11/441625611.db2.gz BDWCLHOFMJZCAE-NJAFHUGGSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090884947 441646164 /nfs/dbraw/zinc/64/61/64/441646164.db2.gz ZHQVSUVPWIOYKF-KSSFIOAISA-N 2 0 332.448 1.745 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000091369140 441697617 /nfs/dbraw/zinc/69/76/17/441697617.db2.gz YSEGTVRAYAPMKN-DZGCQCFKSA-N 2 0 343.493 1.341 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC[C@@H]1CCOC1 ZINC000158279274 441716418 /nfs/dbraw/zinc/71/64/18/441716418.db2.gz ZOKTUZWWDCDMTP-XWSJACJDSA-N 2 0 340.508 1.909 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158908801 441772467 /nfs/dbraw/zinc/77/24/67/441772467.db2.gz HYKUYCNCJKPQEX-SJORKVTESA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccccc1F ZINC000077810551 441864669 /nfs/dbraw/zinc/86/46/69/441864669.db2.gz JAIFYCXOGMZPAN-DOTOQJQBSA-N 2 0 336.455 1.816 20 0 EDADRP C[C@@H]1C[NH+](CCCCNc2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)O1 ZINC000092920666 441841222 /nfs/dbraw/zinc/84/12/22/441841222.db2.gz FLTBYODXVDRDPB-ZIAGYGMSSA-N 2 0 345.451 1.546 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)c1ccsc1 ZINC000077774296 441857120 /nfs/dbraw/zinc/85/71/20/441857120.db2.gz YYXAHORDJSSQHM-AWEZNQCLSA-N 2 0 340.493 1.107 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1CC1 ZINC000118121787 441890809 /nfs/dbraw/zinc/89/08/09/441890809.db2.gz VBNDFEVUJJGWBR-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000093809093 441896726 /nfs/dbraw/zinc/89/67/26/441896726.db2.gz WELRWFGZHLWXEN-KRWDZBQOSA-N 2 0 344.503 1.916 20 0 EDADRP COCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000124483555 441929935 /nfs/dbraw/zinc/92/99/35/441929935.db2.gz BSBPZHIWCCAIEH-QAPCUYQASA-N 2 0 333.476 1.899 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000150999683 441989193 /nfs/dbraw/zinc/98/91/93/441989193.db2.gz YVDCSSGGLJUUBZ-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151560984 442084185 /nfs/dbraw/zinc/08/41/85/442084185.db2.gz HVMIASRSIMJJDK-UHFFFAOYSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000120636900 442109905 /nfs/dbraw/zinc/10/99/05/442109905.db2.gz DXWVWKKAYGARMN-YOEHRIQHSA-N 2 0 346.475 1.628 20 0 EDADRP C[C@@H](C(=O)N(C)C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175798125 442124344 /nfs/dbraw/zinc/12/43/44/442124344.db2.gz UWKCZSHDBTZWQD-XHSDSOJGSA-N 2 0 325.497 1.674 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCN[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000126729109 442138827 /nfs/dbraw/zinc/13/88/27/442138827.db2.gz OXHLJOAXOUHLEA-IRXDYDNUSA-N 2 0 341.459 1.676 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1CC[NH+](C)CC1 ZINC000176041292 442165838 /nfs/dbraw/zinc/16/58/38/442165838.db2.gz PJIFJFSOFSKIAK-UHFFFAOYSA-N 2 0 347.463 1.310 20 0 EDADRP C[N@H+](CCCOC(=O)NC(N)=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000121164716 442185575 /nfs/dbraw/zinc/18/55/75/442185575.db2.gz LVXMWUAGJHWPNZ-MRXNPFEDSA-N 2 0 348.447 1.635 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000167413732 442221096 /nfs/dbraw/zinc/22/10/96/442221096.db2.gz YTLSUHYDRMQDIU-KRWDZBQOSA-N 2 0 331.460 1.259 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)C(C)(C)C[NH3+])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000169211057 442225753 /nfs/dbraw/zinc/22/57/53/442225753.db2.gz XDSBKTCDWTWHFB-MRXNPFEDSA-N 2 0 346.475 1.776 20 0 EDADRP COc1ccc([C@@H](C)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c(OC)c1 ZINC000128155339 442248472 /nfs/dbraw/zinc/24/84/72/442248472.db2.gz RNFPJXOOVRIJRO-CABCVRRESA-N 2 0 349.475 1.942 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)CC1 ZINC000128510633 442271068 /nfs/dbraw/zinc/27/10/68/442271068.db2.gz LSTSULKUQNGBKC-QZTJIDSGSA-N 2 0 330.476 1.828 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)CCC[NH+]2CCCC2)C1 ZINC000153453190 442283590 /nfs/dbraw/zinc/28/35/90/442283590.db2.gz HVXCHSSCEOYIGZ-MRXNPFEDSA-N 2 0 339.480 1.206 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H](O)COC)CC1 ZINC000153777833 442301812 /nfs/dbraw/zinc/30/18/12/442301812.db2.gz DVMRERJRARZYLV-GOSISDBHSA-N 2 0 335.492 1.706 20 0 EDADRP C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000132000707 442385162 /nfs/dbraw/zinc/38/51/62/442385162.db2.gz KEYUSOHENPNGSY-JKSUJKDBSA-N 2 0 331.526 1.464 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)COCc2ccccc2OC)C1 ZINC000177839385 442389918 /nfs/dbraw/zinc/38/99/18/442389918.db2.gz UCPMZPQBZFOUOS-AEFFLSMTSA-N 2 0 336.476 1.846 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000177844168 442390917 /nfs/dbraw/zinc/39/09/17/442390917.db2.gz WMOGDHVGYXTXCN-DLBZAZTESA-N 2 0 340.512 1.326 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000177994817 442400740 /nfs/dbraw/zinc/40/07/40/442400740.db2.gz QUGLLAQZRWDXFT-NVXWUHKLSA-N 2 0 339.505 1.593 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000178589097 442446342 /nfs/dbraw/zinc/44/63/42/442446342.db2.gz BOHSSLPRKYJUHM-MRXNPFEDSA-N 2 0 330.476 1.638 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856902 442504564 /nfs/dbraw/zinc/50/45/64/442504564.db2.gz SWSKSFAPFJGEDB-JZXOWHBKSA-N 2 0 337.508 1.866 20 0 EDADRP COC1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000178857852 442504707 /nfs/dbraw/zinc/50/47/07/442504707.db2.gz XNSUTLNWOSOLFS-MRXNPFEDSA-N 2 0 333.476 1.782 20 0 EDADRP COC(=O)C[C@@H]1CSCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000191552655 442463183 /nfs/dbraw/zinc/46/31/83/442463183.db2.gz JWXPYHMFUNKDNG-MRXNPFEDSA-N 2 0 343.537 1.383 20 0 EDADRP O=C(CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1)Nc1ccccc1F ZINC000172935053 442569828 /nfs/dbraw/zinc/56/98/28/442569828.db2.gz HQOMWCKFLBLRMQ-OAHLLOKOSA-N 2 0 335.423 1.808 20 0 EDADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H](O)Cn1cccn1 ZINC000179393422 442639466 /nfs/dbraw/zinc/63/94/66/442639466.db2.gz PYUVFCVZIRIYBR-LJQANCHMSA-N 2 0 343.475 1.878 20 0 EDADRP COC(=O)C1CCC([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000192446201 442647105 /nfs/dbraw/zinc/64/71/05/442647105.db2.gz ZXUTYHHHKXQCRN-GMNCBBECSA-N 2 0 346.471 1.943 20 0 EDADRP CN(C)[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccco1 ZINC000136101222 442650101 /nfs/dbraw/zinc/65/01/01/442650101.db2.gz JMGRGUBGQXHMKH-OAHLLOKOSA-N 2 0 346.431 1.648 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000173186077 442619399 /nfs/dbraw/zinc/61/93/99/442619399.db2.gz RMKZIHDJVPZTFG-QGZVFWFLSA-N 2 0 344.503 1.900 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NCC[NH+]1CCCOCC1 ZINC000186913159 442629571 /nfs/dbraw/zinc/62/95/71/442629571.db2.gz NRXSLCCNHYIMHF-UHFFFAOYSA-N 2 0 346.475 1.066 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188061353 442706804 /nfs/dbraw/zinc/70/68/04/442706804.db2.gz BWJMMTNTPUQSEL-CRAIPNDOSA-N 2 0 331.460 1.523 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@@H]2C)C1 ZINC000187748765 442690583 /nfs/dbraw/zinc/69/05/83/442690583.db2.gz XVKZLNOLWGFSKN-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C[C@@H](O)C(F)(F)F ZINC000192832278 442691102 /nfs/dbraw/zinc/69/11/02/442691102.db2.gz IHRAWFWXYJTOAP-CQSZACIVSA-N 2 0 325.419 1.648 20 0 EDADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000192837812 442691670 /nfs/dbraw/zinc/69/16/70/442691670.db2.gz PCMKSTSHQSNQBR-UHFFFAOYSA-N 2 0 334.508 1.946 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C[C@@H](C)O1 ZINC000188135394 442715485 /nfs/dbraw/zinc/71/54/85/442715485.db2.gz SIKYQXBZPOOZCJ-ZIAGYGMSSA-N 2 0 335.448 1.700 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000182167502 442741731 /nfs/dbraw/zinc/74/17/31/442741731.db2.gz LMJGNIKASNQTDP-YOEHRIQHSA-N 2 0 333.480 1.165 20 0 EDADRP CC(C)c1n[nH]cc1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000193495264 442748302 /nfs/dbraw/zinc/74/83/02/442748302.db2.gz DATWKKQXHNCDNJ-UHFFFAOYSA-N 2 0 333.480 1.822 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246403450 442779650 /nfs/dbraw/zinc/77/96/50/442779650.db2.gz KDJCVYHMPAGJSB-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000268141583 442866829 /nfs/dbraw/zinc/86/68/29/442866829.db2.gz FSWICVGDSSOLIQ-WBMJQRKESA-N 2 0 347.463 1.261 20 0 EDADRP CC[C@H](COC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265714897 442891544 /nfs/dbraw/zinc/89/15/44/442891544.db2.gz DUTIFZKNGUOPIK-MRXNPFEDSA-N 2 0 349.479 1.318 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(O)ccc1OC ZINC000189364053 442929575 /nfs/dbraw/zinc/92/95/75/442929575.db2.gz IFZSLZHQFUIORD-OAHLLOKOSA-N 2 0 349.475 1.889 20 0 EDADRP C[C@H](CCNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000184843979 318539307 /nfs/dbraw/zinc/53/93/07/318539307.db2.gz KTYZYYJEJNLYDA-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194734603 442945022 /nfs/dbraw/zinc/94/50/22/442945022.db2.gz SENYAFIXXGOKGP-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CNC(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000268837545 443124047 /nfs/dbraw/zinc/12/40/47/443124047.db2.gz BVLGMMOCXCIMMB-CRAIPNDOSA-N 2 0 333.476 1.546 20 0 EDADRP COc1cccc([C@H](CNC(=O)N(C)CCC[NH+](C)C)[NH+](C)C)c1 ZINC000185238375 443167653 /nfs/dbraw/zinc/16/76/53/443167653.db2.gz YGTZIXOATBFSPW-KRWDZBQOSA-N 2 0 336.480 1.891 20 0 EDADRP C[C@H]1CN(CCC(=O)N2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000262057547 443182334 /nfs/dbraw/zinc/18/23/34/443182334.db2.gz IVBUVHZKQNAQAP-YOEHRIQHSA-N 2 0 335.423 1.409 20 0 EDADRP Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000263241979 443227628 /nfs/dbraw/zinc/22/76/28/443227628.db2.gz GNVVAJLCMASQKY-KBPBESRZSA-N 2 0 348.495 1.361 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000245441109 443228135 /nfs/dbraw/zinc/22/81/35/443228135.db2.gz VDOJHTBMFJLROI-KURKYZTESA-N 2 0 338.540 1.449 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(C)(C)N2CC[NH2+]CC2)cc1 ZINC000327601450 318946365 /nfs/dbraw/zinc/94/63/65/318946365.db2.gz UIGAKCCYWSAOFR-UHFFFAOYSA-N 2 0 346.519 1.828 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000269230819 443241621 /nfs/dbraw/zinc/24/16/21/443241621.db2.gz HZHCDWHAJXNPAQ-SFHVURJKSA-N 2 0 331.460 1.188 20 0 EDADRP Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nnn1C1CC[NH2+]CC1 ZINC000262678302 443207150 /nfs/dbraw/zinc/20/71/50/443207150.db2.gz UONYNODBCNMLCW-UONOGXRCSA-N 2 0 348.495 1.361 20 0 EDADRP C[C@@H](CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000262684195 443208264 /nfs/dbraw/zinc/20/82/64/443208264.db2.gz ZPDHDCAFHLTMNT-YLFCFFPRSA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000397449425 319134827 /nfs/dbraw/zinc/13/48/27/319134827.db2.gz QJPLKGVLTFRGMW-HNNXBMFYSA-N 2 0 327.469 1.696 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2C[C@H](OC(C)C)C2(C)C)CC1 ZINC000411787238 319204080 /nfs/dbraw/zinc/20/40/80/319204080.db2.gz DNNPUPASBJHDKS-HOTGVXAUSA-N 2 0 325.497 1.769 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000266816825 443253812 /nfs/dbraw/zinc/25/38/12/443253812.db2.gz HFHDOFLLKXCXRT-LJQANCHMSA-N 2 0 344.503 1.718 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000269261889 443255624 /nfs/dbraw/zinc/25/56/24/443255624.db2.gz WIFOHNGOKSKMMN-HUUCEWRRSA-N 2 0 337.489 1.455 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000414679653 319340908 /nfs/dbraw/zinc/34/09/08/319340908.db2.gz WWNKNGQLBUYBMU-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415196509 319349142 /nfs/dbraw/zinc/34/91/42/319349142.db2.gz RNTUHCAKWOUDAH-UHFFFAOYSA-N 2 0 344.459 1.467 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)cc1 ZINC000415219231 319352752 /nfs/dbraw/zinc/35/27/52/319352752.db2.gz MXZMTVUXRBBNFL-ZQIUZPCESA-N 2 0 344.459 1.730 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415237135 319355065 /nfs/dbraw/zinc/35/50/65/319355065.db2.gz HTKWVUHDFPVKCG-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+](C2CC2)C1 ZINC000415255169 319357168 /nfs/dbraw/zinc/35/71/68/319357168.db2.gz MDXLPVKQZGEAGO-CYBMUJFWSA-N 2 0 330.432 1.027 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415793518 319370635 /nfs/dbraw/zinc/37/06/35/319370635.db2.gz VBCXOQMBDJUEJL-OAHLLOKOSA-N 2 0 332.448 1.117 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000191393473 443289119 /nfs/dbraw/zinc/28/91/19/443289119.db2.gz ZDMIUUQNHSYPAL-UHFFFAOYSA-N 2 0 346.519 1.930 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCCc1ccccn1 ZINC000269412293 443306622 /nfs/dbraw/zinc/30/66/22/443306622.db2.gz BEOPJGBBRXEKSF-UHFFFAOYSA-N 2 0 349.523 1.929 20 0 EDADRP CCC[NH2+]CCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416835964 319465285 /nfs/dbraw/zinc/46/52/85/319465285.db2.gz FUTHCQRPAUYGDJ-UHFFFAOYSA-N 2 0 347.507 1.103 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445829 443320741 /nfs/dbraw/zinc/32/07/41/443320741.db2.gz LWCWOKLQNXBERF-HKUYNNGSSA-N 2 0 342.487 1.780 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264572214 443331186 /nfs/dbraw/zinc/33/11/86/443331186.db2.gz SKAVWKZZHVBHNK-SFHVURJKSA-N 2 0 331.460 1.733 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000418929395 319534629 /nfs/dbraw/zinc/53/46/29/319534629.db2.gz COQCCHVTYFCDSS-INIZCTEOSA-N 2 0 340.512 1.215 20 0 EDADRP O=C(CCn1ccnc1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272887515 443479746 /nfs/dbraw/zinc/47/97/46/443479746.db2.gz ZQPCZJCUGUOEMP-SFHVURJKSA-N 2 0 342.443 1.546 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)CC2CCCC2)CC[NH2+]CC1 ZINC000423024601 319746967 /nfs/dbraw/zinc/74/69/67/319746967.db2.gz MFTRAGFZGLDVMV-GOEBONIOSA-N 2 0 326.481 1.839 20 0 EDADRP Cc1c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423201031 319756281 /nfs/dbraw/zinc/75/62/81/319756281.db2.gz HARKMKKJDKCAKS-AWEZNQCLSA-N 2 0 331.439 1.876 20 0 EDADRP CC[C@H]([NH2+]C[C@@H](C)C[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423303762 319761922 /nfs/dbraw/zinc/76/19/22/319761922.db2.gz JMIJDOPWVQWULI-GWCFXTLKSA-N 2 0 333.885 1.884 20 0 EDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392377 319770381 /nfs/dbraw/zinc/77/03/81/319770381.db2.gz QHDVYYSNWLDLER-OCCSQVGLSA-N 2 0 331.386 1.223 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1O ZINC000423396616 319771104 /nfs/dbraw/zinc/77/11/04/319771104.db2.gz RVMDRVODURPORB-ABAIWWIYSA-N 2 0 347.381 1.888 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](Cc2cnc(N(C)C)n2C)CC1 ZINC000425329627 319831876 /nfs/dbraw/zinc/83/18/76/319831876.db2.gz ABFJHNMLXJHTCJ-UHFFFAOYSA-N 2 0 337.512 1.809 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000426571919 319885677 /nfs/dbraw/zinc/88/56/77/319885677.db2.gz WYTOHXGLTPAFBF-IRXDYDNUSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000429176497 319923450 /nfs/dbraw/zinc/92/34/50/319923450.db2.gz OIRMFRFKUABHPT-FUHWJXTLSA-N 2 0 330.476 1.394 20 0 EDADRP COc1ccc(CN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1O ZINC000433152204 319972069 /nfs/dbraw/zinc/97/20/69/319972069.db2.gz QJLGACVIZTWUJG-UHFFFAOYSA-N 2 0 335.448 1.563 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000439004345 320038299 /nfs/dbraw/zinc/03/82/99/320038299.db2.gz PXZKKEXJIUJXPO-GJZGRUSLSA-N 2 0 348.491 1.940 20 0 EDADRP Cc1nc(CN2CCC(C(=O)NCC[C@H]3CCC[NH2+]3)CC2)cs1 ZINC000444273526 320123997 /nfs/dbraw/zinc/12/39/97/320123997.db2.gz QFKYRFYRRKIDSQ-OAHLLOKOSA-N 2 0 336.505 1.922 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444272057 320124088 /nfs/dbraw/zinc/12/40/88/320124088.db2.gz WBLVUGMTXBLDQY-WQDJSCAQSA-N 2 0 349.519 1.724 20 0 EDADRP CCN1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000449516152 320193186 /nfs/dbraw/zinc/19/31/86/320193186.db2.gz FAMUCHVKKICXHU-QGZVFWFLSA-N 2 0 344.503 1.927 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000449724226 320202055 /nfs/dbraw/zinc/20/20/55/320202055.db2.gz MQEICNSZKZGBBM-VZJVUDMVSA-N 2 0 340.265 1.867 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc3c(cc2OC)OCO3)CC1 ZINC000449746991 320204162 /nfs/dbraw/zinc/20/41/62/320204162.db2.gz UZBQPNXBVBWSFR-UHFFFAOYSA-N 2 0 349.475 1.930 20 0 EDADRP O=C1CC[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCN1 ZINC000450707142 320225635 /nfs/dbraw/zinc/22/56/35/320225635.db2.gz KXWYQRGQGOJPAM-GOSISDBHSA-N 2 0 337.508 1.727 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@@H]2CCC[NH+](C)C2)C1 ZINC000457505602 320328782 /nfs/dbraw/zinc/32/87/82/320328782.db2.gz HJFHRMHJBFECIJ-IRXDYDNUSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)[NH+]1CCCC[C@H]1C ZINC000457717518 320333199 /nfs/dbraw/zinc/33/31/99/320333199.db2.gz UULVYYVMPIELEM-VQHPVUNQSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000458853843 320343122 /nfs/dbraw/zinc/34/31/22/320343122.db2.gz PDQHQLLGRLHROJ-CALCHBBNSA-N 2 0 340.512 1.349 20 0 EDADRP COCc1cc(CN2CCN(C3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000459365805 320347430 /nfs/dbraw/zinc/34/74/30/320347430.db2.gz XNEXVRYSDHPVEJ-UHFFFAOYSA-N 2 0 336.480 1.811 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCCOCC[NH+](C)C ZINC000471647473 320352950 /nfs/dbraw/zinc/35/29/50/320352950.db2.gz HDIQPNNPVONDQR-BZUAXINKSA-N 2 0 328.501 1.230 20 0 EDADRP Cc1nc2sccn2c(=O)c1CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000286291498 443684225 /nfs/dbraw/zinc/68/42/25/443684225.db2.gz GAGZNSWKKNNYFP-AWEZNQCLSA-N 2 0 334.489 1.881 20 0 EDADRP CNC(=O)NC(=O)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000298494952 443783487 /nfs/dbraw/zinc/78/34/87/443783487.db2.gz JUGUFIPPMZJRJA-UHFFFAOYSA-N 2 0 341.415 1.203 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000298398442 443761498 /nfs/dbraw/zinc/76/14/98/443761498.db2.gz GIEUXDVJOUEKRY-JYJNAYRXSA-N 2 0 333.476 1.910 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920245 443879225 /nfs/dbraw/zinc/87/92/25/443879225.db2.gz IESBGNHPQYNWPJ-IBGZPJMESA-N 2 0 345.443 1.449 20 0 EDADRP CC(C)[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000292946399 443885857 /nfs/dbraw/zinc/88/58/57/443885857.db2.gz ADNCONXQFKHUAU-UXHICEINSA-N 2 0 331.504 1.895 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000298882169 443891684 /nfs/dbraw/zinc/89/16/84/443891684.db2.gz PANCKYBYPZATGY-HUUCEWRRSA-N 2 0 346.475 1.995 20 0 EDADRP C[C@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000288576658 443923467 /nfs/dbraw/zinc/92/34/67/443923467.db2.gz BCVZQZZZFMHYRV-KRWDZBQOSA-N 2 0 334.508 1.679 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CO)CC1)c1ccccc1 ZINC000293341450 443987934 /nfs/dbraw/zinc/98/79/34/443987934.db2.gz YTUBURLZHYXGKK-AEFFLSMTSA-N 2 0 333.476 1.500 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CO)CC1)c1ccccc1 ZINC000293341459 443988072 /nfs/dbraw/zinc/98/80/72/443988072.db2.gz YTUBURLZHYXGKK-SJLPKXTDSA-N 2 0 333.476 1.500 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000299347996 444024137 /nfs/dbraw/zinc/02/41/37/444024137.db2.gz HEIPDMSPAMDIBO-OAHLLOKOSA-N 2 0 336.480 1.766 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000299373383 444031180 /nfs/dbraw/zinc/03/11/80/444031180.db2.gz NICUULWAAKMOTN-QAPCUYQASA-N 2 0 348.491 1.045 20 0 EDADRP C[C@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1cccs1 ZINC000289169483 444068079 /nfs/dbraw/zinc/06/80/79/444068079.db2.gz FFURUORGTKFJHI-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000561440888 321041514 /nfs/dbraw/zinc/04/15/14/321041514.db2.gz AQDCMPSUQIYGCT-ZWKOTPCHSA-N 2 0 345.487 1.790 20 0 EDADRP CCN1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ncc[nH]1 ZINC000562819574 321079250 /nfs/dbraw/zinc/07/92/50/321079250.db2.gz PTSNFBSIVDFNHX-KFWWJZLASA-N 2 0 334.468 1.315 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299579869 444085175 /nfs/dbraw/zinc/08/51/75/444085175.db2.gz UYPHNBXDIFTKDW-GOSISDBHSA-N 2 0 330.476 1.144 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000564431521 321131458 /nfs/dbraw/zinc/13/14/58/321131458.db2.gz IWURFIPARWCBEZ-IAGOWNOFSA-N 2 0 346.475 1.052 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000564931447 321158477 /nfs/dbraw/zinc/15/84/77/321158477.db2.gz LXYPLPDWGYEIOI-LEUOFYLZSA-N 2 0 331.460 1.390 20 0 EDADRP C[N@H+](CCNC(=O)c1conc1C(C)(C)[NH3+])Cc1ccc(F)cc1 ZINC000565906564 321205707 /nfs/dbraw/zinc/20/57/07/321205707.db2.gz ZBDZOEGOURQXNX-UHFFFAOYSA-N 2 0 334.395 1.869 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CCN3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000566302675 321225810 /nfs/dbraw/zinc/22/58/10/321225810.db2.gz HEMUCUMFOGLUFL-ROUUACIJSA-N 3 0 338.540 1.103 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000567585579 321247189 /nfs/dbraw/zinc/24/71/89/321247189.db2.gz KIEBXUZCIYQMOT-MSOLQXFVSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567842608 321261912 /nfs/dbraw/zinc/26/19/12/321261912.db2.gz UJSFROAXXIQMLG-NVXWUHKLSA-N 3 0 330.476 1.094 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCNCC2(F)F)CC1 ZINC000567982946 321271216 /nfs/dbraw/zinc/27/12/16/321271216.db2.gz CDIBDLNFAJCEBR-GFCCVEGCSA-N 3 0 339.390 1.017 20 0 EDADRP CC[C@]1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000568516841 321295412 /nfs/dbraw/zinc/29/54/12/321295412.db2.gz PYZJQEYXFDYMMZ-LJQANCHMSA-N 2 0 330.476 1.905 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC1C2CC3CC(C2)CC1C3 ZINC000568884045 321310007 /nfs/dbraw/zinc/31/00/07/321310007.db2.gz DJTRSFDWKOFFHB-PTKSYQAQSA-N 2 0 331.504 1.859 20 0 EDADRP C[N@@H+]1CCC[C@H](CN[C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185117 321320495 /nfs/dbraw/zinc/32/04/95/321320495.db2.gz QRUHQKXGRAOXPX-ZBFHGGJFSA-N 2 0 326.448 1.971 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000570926669 321363847 /nfs/dbraw/zinc/36/38/47/321363847.db2.gz CWHACPISHIRAKC-ZDUSSCGKSA-N 2 0 333.480 1.710 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000571210145 321376960 /nfs/dbraw/zinc/37/69/60/321376960.db2.gz GGLQOKPMDAKKGF-YHWZYXNKSA-N 2 0 331.391 1.225 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccnc(F)c1 ZINC000299672945 444112510 /nfs/dbraw/zinc/11/25/10/444112510.db2.gz JKXSQUDZSYIMAU-UHFFFAOYSA-N 2 0 343.406 1.558 20 0 EDADRP C[C@@H](C[NH3+])C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000285811481 444115671 /nfs/dbraw/zinc/11/56/71/444115671.db2.gz RTMUWQXRNBJLQL-HNNXBMFYSA-N 2 0 349.475 1.387 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCN1CCNC1=O ZINC000289882965 444215199 /nfs/dbraw/zinc/21/51/99/444215199.db2.gz MGCOCPPSEKOESX-HOTGVXAUSA-N 2 0 330.476 1.758 20 0 EDADRP COc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc(OC)c1O ZINC000289623085 444182408 /nfs/dbraw/zinc/18/24/08/444182408.db2.gz JZVCVSBHRAJINO-UHFFFAOYSA-N 2 0 337.464 1.525 20 0 EDADRP Cc1ncc2n1CC[C@@H](C(=O)N1CCN(c3ccccn3)CC1)C2 ZINC000289713071 444194110 /nfs/dbraw/zinc/19/41/10/444194110.db2.gz GJMKCQKLNGTZGN-OAHLLOKOSA-N 2 0 325.416 1.498 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000576330157 321557074 /nfs/dbraw/zinc/55/70/74/321557074.db2.gz HZWGBKPQFFQGOM-UHFFFAOYSA-N 2 0 340.512 1.262 20 0 EDADRP Cc1cc(N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)nc(C(C)C)n1 ZINC000301985777 444198993 /nfs/dbraw/zinc/19/89/93/444198993.db2.gz ZBQDVDKXCQECSQ-OAHLLOKOSA-N 2 0 331.464 1.827 20 0 EDADRP COC(=O)CN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)[C@H]2C)CC1 ZINC000290152763 444248653 /nfs/dbraw/zinc/24/86/53/444248653.db2.gz LELUGUGHBPUBTG-LPHOPBHVSA-N 2 0 345.487 1.876 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000576624945 321582233 /nfs/dbraw/zinc/58/22/33/321582233.db2.gz QRGMVQIATNTGEW-ZBFHGGJFSA-N 2 0 341.521 1.006 20 0 EDADRP Cc1cccc2[nH]cc(CC[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)c21 ZINC000576627829 321582503 /nfs/dbraw/zinc/58/25/03/321582503.db2.gz FKOQLFFPHLYSON-KRWDZBQOSA-N 2 0 330.476 1.217 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000290072517 444238391 /nfs/dbraw/zinc/23/83/91/444238391.db2.gz WBNKXGYZZPUHQQ-DLBZAZTESA-N 2 0 347.459 1.529 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CO2 ZINC000297704495 444321266 /nfs/dbraw/zinc/32/12/66/444321266.db2.gz MNZUFOHQFCXYJH-GOSISDBHSA-N 2 0 347.503 1.862 20 0 EDADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc(OC)c1O ZINC000290456572 444283138 /nfs/dbraw/zinc/28/31/38/444283138.db2.gz TVPGNELURDYSJX-OAHLLOKOSA-N 2 0 338.448 1.736 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290589744 444298668 /nfs/dbraw/zinc/29/86/68/444298668.db2.gz OJPAQPSNOXRSHF-RTBURBONSA-N 2 0 327.472 1.967 20 0 EDADRP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000314791401 444302676 /nfs/dbraw/zinc/30/26/76/444302676.db2.gz KCNHWDAYTGQBQV-ZDUSSCGKSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000578130681 321726682 /nfs/dbraw/zinc/72/66/82/321726682.db2.gz XELZRWGLVVHTFB-HZPDHXFCSA-N 2 0 325.497 1.853 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000323687043 444345234 /nfs/dbraw/zinc/34/52/34/444345234.db2.gz BACBIKBSIDTKSC-ILXRZTDVSA-N 2 0 337.430 1.958 20 0 EDADRP C[N@H+](CCCc1nc(-c2cccs2)no1)CC(=O)N1CC[NH2+]CC1 ZINC000325090050 444361255 /nfs/dbraw/zinc/36/12/55/444361255.db2.gz NOMXEFBEYAIJTJ-UHFFFAOYSA-N 2 0 349.460 1.094 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NCC2([NH+](C)C)CCOCC2)cc1 ZINC000578762836 321827141 /nfs/dbraw/zinc/82/71/41/321827141.db2.gz GCBBMRZNJOYCEO-UHFFFAOYSA-N 2 0 333.476 1.631 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCCOc2ccc(F)cc2)CC1 ZINC000578997107 321867269 /nfs/dbraw/zinc/86/72/69/321867269.db2.gz CZLXNDJSWHHLSM-QGZVFWFLSA-N 2 0 339.455 1.183 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCCC1 ZINC000340473270 444392749 /nfs/dbraw/zinc/39/27/49/444392749.db2.gz NYIDMSJTNOCVFD-GFCCVEGCSA-N 2 0 328.254 1.685 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000331224458 444449694 /nfs/dbraw/zinc/44/96/94/444449694.db2.gz XDQBPMOAPMTDTN-CVEARBPZSA-N 2 0 339.505 1.899 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[C@@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000579814709 321973190 /nfs/dbraw/zinc/97/31/90/321973190.db2.gz BHSNNYTXUSGXIH-INIZCTEOSA-N 2 0 344.503 1.775 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NCc3ccc(N4CCCC4)nc3)[C@@H]2C1 ZINC000580770439 322093137 /nfs/dbraw/zinc/09/31/37/322093137.db2.gz GXBQGWHTWOADKB-DLBZAZTESA-N 2 0 343.475 1.917 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873132 322105809 /nfs/dbraw/zinc/10/58/09/322105809.db2.gz QDJGWJCXJWLPKK-YSTOQKLRSA-N 2 0 329.488 1.838 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186163 322146186 /nfs/dbraw/zinc/14/61/86/322146186.db2.gz GDIDKTPPZHHHDW-WBVHZDCISA-N 2 0 340.439 1.656 20 0 EDADRP O=S(=O)(c1cccs1)N1CC[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000581304662 322161366 /nfs/dbraw/zinc/16/13/66/322161366.db2.gz WINVWPIWROPICU-KGLIPLIRSA-N 2 0 343.518 1.490 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000581365031 322168934 /nfs/dbraw/zinc/16/89/34/322168934.db2.gz AGLMEDBVWDJFKL-IRXDYDNUSA-N 2 0 328.497 1.501 20 0 EDADRP CO[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000581601873 322197489 /nfs/dbraw/zinc/19/74/89/322197489.db2.gz QGUJDPRJSQIQFC-OPNNQBFTSA-N 2 0 332.444 1.883 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000332232967 444506002 /nfs/dbraw/zinc/50/60/02/444506002.db2.gz PSIFCUMXGLRASV-JKSUJKDBSA-N 2 0 331.526 1.686 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](O)C[C@H]3C)CC2)cc1 ZINC000340919740 444576334 /nfs/dbraw/zinc/57/63/34/444576334.db2.gz WIRMKVMNLQASOM-MJGOQNOKSA-N 2 0 345.487 1.484 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000340847406 444541051 /nfs/dbraw/zinc/54/10/51/444541051.db2.gz NLRHMBCLODPSAD-IRXDYDNUSA-N 2 0 344.459 1.430 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341098237 444672888 /nfs/dbraw/zinc/67/28/88/444672888.db2.gz YRJCNDQZOJVUFS-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343932005 444677643 /nfs/dbraw/zinc/67/76/43/444677643.db2.gz QTGDNQYBKVSKPQ-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C(C)(C)n1cncn1 ZINC000333046609 444634612 /nfs/dbraw/zinc/63/46/12/444634612.db2.gz ADYXTJCECUHMQW-UAGQMJEPSA-N 2 0 335.496 1.759 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000341201641 444725458 /nfs/dbraw/zinc/72/54/58/444725458.db2.gz LTOLYFWYUYGRCY-DLBZAZTESA-N 3 0 341.544 1.384 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1OC ZINC000344022906 444733862 /nfs/dbraw/zinc/73/38/62/444733862.db2.gz PJRIEQYFBWRZFB-HOCLYGCPSA-N 2 0 349.475 1.942 20 0 EDADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)NC[C@H]1C[NH2+]CCO1 ZINC000333790767 444697529 /nfs/dbraw/zinc/69/75/29/444697529.db2.gz MKDILNHTWLOJJX-MRXNPFEDSA-N 2 0 338.496 1.320 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N(CCOC)CC[NH+](C)C)CC1 ZINC000341218063 444735466 /nfs/dbraw/zinc/73/54/66/444735466.db2.gz WUXARDQLPWPPEF-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342694589 444818652 /nfs/dbraw/zinc/81/86/52/444818652.db2.gz OFBNLRFABJXYBI-CVEARBPZSA-N 2 0 333.432 1.048 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000330084174 444838902 /nfs/dbraw/zinc/83/89/02/444838902.db2.gz KYMNYODHLXLISU-HZPDHXFCSA-N 2 0 331.464 1.384 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343042915 445024642 /nfs/dbraw/zinc/02/46/42/445024642.db2.gz ZPVCEJGJLRSJMK-MOPGFXCFSA-N 2 0 344.503 1.358 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344485998 445004213 /nfs/dbraw/zinc/00/42/13/445004213.db2.gz CTRSTLGRKBZANJ-QGZVFWFLSA-N 2 0 347.507 1.733 20 0 EDADRP CC(=O)N[C@H](C)C1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337329613 445035141 /nfs/dbraw/zinc/03/51/41/445035141.db2.gz ZYIHPADHCFPHSZ-QGZVFWFLSA-N 2 0 338.540 1.639 20 0 EDADRP O[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](Cc2ccccc2)C1 ZINC000339067287 445017457 /nfs/dbraw/zinc/01/74/57/445017457.db2.gz FYWSHHJMEZDIRV-UFYCRDLUSA-N 2 0 329.488 1.840 20 0 EDADRP CC[C@@H](CNC(=O)NCC[NH+]1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000337403500 445064880 /nfs/dbraw/zinc/06/48/80/445064880.db2.gz RACIFNMLSRKXBH-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000337558527 445136431 /nfs/dbraw/zinc/13/64/31/445136431.db2.gz YUVYVWLIZGYKNH-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000342108640 445175802 /nfs/dbraw/zinc/17/58/02/445175802.db2.gz UFWZGIRRZZKPPU-MRXNPFEDSA-N 2 0 328.526 1.551 20 0 EDADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342115389 445180150 /nfs/dbraw/zinc/18/01/50/445180150.db2.gz XPGJVJRFPBNDOW-HUHSQHJXSA-N 2 0 333.451 1.932 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000339495320 445146655 /nfs/dbraw/zinc/14/66/55/445146655.db2.gz WZEWVEHTPYXFTL-QWHCGFSZSA-N 2 0 338.496 1.011 20 0 EDADRP CO[C@@H]1CCCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344922624 445149446 /nfs/dbraw/zinc/14/94/46/445149446.db2.gz SBQUIILXBVQFEU-CGTJXYLNSA-N 2 0 337.508 1.819 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343358567 445209090 /nfs/dbraw/zinc/20/90/90/445209090.db2.gz DHCHANUSTHSOBM-OALUTQOASA-N 2 0 348.535 1.347 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343397056 445215622 /nfs/dbraw/zinc/21/56/22/445215622.db2.gz ISDLRWTWCKMINH-LMMKCTJWSA-N 2 0 349.523 1.361 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343400942 445216021 /nfs/dbraw/zinc/21/60/21/445216021.db2.gz KXOWNLCANFCAGA-QRVBRYPASA-N 2 0 348.535 1.489 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[N@@H+]1C ZINC000345734951 445197653 /nfs/dbraw/zinc/19/76/53/445197653.db2.gz COFWFZVEODAFDP-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347862202 445252252 /nfs/dbraw/zinc/25/22/52/445252252.db2.gz MRHITGMDCIXEBP-DJIMGWMZSA-N 2 0 335.496 1.505 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCCC1=O ZINC000348323718 445257134 /nfs/dbraw/zinc/25/71/34/445257134.db2.gz SKACPXSVKHTLRX-ULQDDVLXSA-N 2 0 325.497 1.460 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([C@H](C)[NH3+])C3)cc2)CC1 ZINC000351749782 445307835 /nfs/dbraw/zinc/30/78/35/445307835.db2.gz XXJYSACBKJAGCX-RDJZCZTQSA-N 2 0 330.476 1.638 20 0 EDADRP CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348534265 445317265 /nfs/dbraw/zinc/31/72/65/445317265.db2.gz PIMWFFAFZPLXOL-HZPDHXFCSA-N 2 0 325.522 1.993 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000354517740 445275213 /nfs/dbraw/zinc/27/52/13/445275213.db2.gz YSBWVOXMXGKTDM-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000351848195 445342280 /nfs/dbraw/zinc/34/22/80/445342280.db2.gz CMYCELCGMXMIEU-YVSFHVDLSA-N 2 0 340.512 1.061 20 0 EDADRP Cc1cc(NC[C@@H]2C[C@@H](F)CN2c2ccnc(N(C)C)n2)ncn1 ZINC000359664860 445364269 /nfs/dbraw/zinc/36/42/69/445364269.db2.gz ZKHIGQVTADDAJB-OLZOCXBDSA-N 2 0 331.399 1.670 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C1(C(=O)N[C@H](C)CC[NH+](C)C)CCC1 ZINC000354895083 445431563 /nfs/dbraw/zinc/43/15/63/445431563.db2.gz OXLUXXGEWRYGDG-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523476 445423727 /nfs/dbraw/zinc/42/37/27/445423727.db2.gz FCHRIAOUWHACAN-APWZRJJASA-N 2 0 344.503 1.248 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359729228 445396081 /nfs/dbraw/zinc/39/60/81/445396081.db2.gz DVPWKCYZQHMONX-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP CN(C(=O)CCOC1C[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000349027367 445480567 /nfs/dbraw/zinc/48/05/67/445480567.db2.gz MLUHSGIBNMORSS-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCC[NH+]1CCC[C@@H]1CO ZINC000355262371 445452167 /nfs/dbraw/zinc/45/21/67/445452167.db2.gz DEBLDKWEAJOBEV-IAGOWNOFSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000355482041 445464205 /nfs/dbraw/zinc/46/42/05/445464205.db2.gz PCMGNHNVAWRTNC-HNNXBMFYSA-N 2 0 331.464 1.917 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CC1 ZINC000362703284 445508691 /nfs/dbraw/zinc/50/86/91/445508691.db2.gz JFOLENUCFPGQFM-WBVHZDCISA-N 2 0 340.512 1.467 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362721595 445517956 /nfs/dbraw/zinc/51/79/56/445517956.db2.gz BQSFPAPLAGYTGI-TVFCKZIOSA-N 2 0 336.524 1.201 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000362735773 445524251 /nfs/dbraw/zinc/52/42/51/445524251.db2.gz QWVPNZKDMIPCHD-CZUORRHYSA-N 2 0 332.448 1.713 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746246 445529656 /nfs/dbraw/zinc/52/96/56/445529656.db2.gz SYJPCUCGWWNBED-MAUKXSAKSA-N 2 0 333.476 1.831 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1OCC[NH+](C)C ZINC000362682813 445498412 /nfs/dbraw/zinc/49/84/12/445498412.db2.gz GUJACRVOSMLICB-ZBFHGGJFSA-N 2 0 349.475 1.450 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000357236296 445499235 /nfs/dbraw/zinc/49/92/35/445499235.db2.gz DXKIEBNBTQFEJT-QGZVFWFLSA-N 2 0 344.503 1.561 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CCSC1 ZINC000362759310 445536092 /nfs/dbraw/zinc/53/60/92/445536092.db2.gz ZBNLHMNXQVCXSC-HLLBOEOZSA-N 2 0 340.537 1.549 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349301381 445559649 /nfs/dbraw/zinc/55/96/49/445559649.db2.gz USXFTJXRMQYAPG-FUHWJXTLSA-N 2 0 335.496 1.067 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@H](C)C1 ZINC000362836809 445574306 /nfs/dbraw/zinc/57/43/06/445574306.db2.gz JUOPXFAMMOISEV-VQHPVUNQSA-N 2 0 325.497 1.437 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353436289 445601073 /nfs/dbraw/zinc/60/10/73/445601073.db2.gz XRYINMWCFLUYEE-RBUKOAKNSA-N 2 0 342.487 1.798 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@@H]2CCC[C@H]21 ZINC000353446748 445606187 /nfs/dbraw/zinc/60/61/87/445606187.db2.gz KOHADQOWGYEKJE-HRCADAONSA-N 2 0 348.491 1.704 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353447960 445606252 /nfs/dbraw/zinc/60/62/52/445606252.db2.gz MWTLCMONWGZNLP-IRXDYDNUSA-N 2 0 342.491 1.944 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CC1 ZINC000360175843 445613487 /nfs/dbraw/zinc/61/34/87/445613487.db2.gz ODRGOTGNBLHCEB-SFHVURJKSA-N 2 0 348.491 1.052 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@H]2CCC[C@H]21 ZINC000353525252 445641979 /nfs/dbraw/zinc/64/19/79/445641979.db2.gz XIRKAVCVXUJKGR-XMTFNYHQSA-N 2 0 339.549 1.657 20 0 EDADRP CSC1(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC[NH+](C)CC1 ZINC000353554299 445654207 /nfs/dbraw/zinc/65/42/07/445654207.db2.gz JHKORHCSGBIZNJ-UONOGXRCSA-N 2 0 334.551 1.759 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3cc(CO)nn3)CC2)C1 ZINC000353578468 445664590 /nfs/dbraw/zinc/66/45/90/445664590.db2.gz RUJGQXTVGHFVBT-MAUKXSAKSA-N 2 0 335.496 1.793 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000349884668 445711213 /nfs/dbraw/zinc/71/12/13/445711213.db2.gz RUWVMRQYZXLYKV-LMMKCTJWSA-N 2 0 339.524 1.407 20 0 EDADRP CC[N@H+](CCOC)CC(=O)N1CCN([C@@H](C)c2ccccc2)CC1 ZINC000353699705 445714743 /nfs/dbraw/zinc/71/47/43/445714743.db2.gz SSIANGAHCNPFJS-KRWDZBQOSA-N 2 0 333.476 1.860 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000353699644 445715037 /nfs/dbraw/zinc/71/50/37/445715037.db2.gz FUVNVULDEXBZAC-ZWKOTPCHSA-N 2 0 330.476 1.984 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000363083751 445671528 /nfs/dbraw/zinc/67/15/28/445671528.db2.gz AROYNZYEVYWFML-MSOLQXFVSA-N 2 0 346.475 1.411 20 0 EDADRP C[C@H]1CCCCN1C(=O)CN(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363206528 445721136 /nfs/dbraw/zinc/72/11/36/445721136.db2.gz LFKUPIBGSQHACJ-INIZCTEOSA-N 2 0 337.508 1.963 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363286203 445752369 /nfs/dbraw/zinc/75/23/69/445752369.db2.gz FANBZTJRYGFZRW-WNHJNPCNSA-N 2 0 349.519 1.722 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323688 445766024 /nfs/dbraw/zinc/76/60/24/445766024.db2.gz CAQUBJDAMIESMV-QZTJIDSGSA-N 2 0 336.524 1.395 20 0 EDADRP CCOCCCNC(=[NH2+])NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000363483994 445824577 /nfs/dbraw/zinc/82/45/77/445824577.db2.gz PIKYBQWYKURZMT-GOSISDBHSA-N 2 0 347.507 1.516 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000358804104 445782845 /nfs/dbraw/zinc/78/28/45/445782845.db2.gz IIPRFYVHDJTDEO-ZWKOTPCHSA-N 2 0 325.497 1.632 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363389262 445783897 /nfs/dbraw/zinc/78/38/97/445783897.db2.gz IMSARHJWNQPUNY-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP Cc1ccc([C@@H](O)C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000363456287 445812509 /nfs/dbraw/zinc/81/25/09/445812509.db2.gz LJZIFOMMIQZSRU-QUCCMNQESA-N 2 0 331.504 1.988 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000582120878 325779253 /nfs/dbraw/zinc/77/92/53/325779253.db2.gz WVAIBMXSPOFSEC-YCPHGPKFSA-N 2 0 328.501 1.548 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(Cc3cn(-c4cc[nH+]cc4)nc3C)[C@H]2C1 ZINC000354144256 445941114 /nfs/dbraw/zinc/94/11/14/445941114.db2.gz ZCYOVCKYBMZZDR-OALUTQOASA-N 2 0 341.459 1.871 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000350732110 445891394 /nfs/dbraw/zinc/89/13/94/445891394.db2.gz JQRDRLJAIVTPQF-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000350732831 445891884 /nfs/dbraw/zinc/89/18/84/445891884.db2.gz SZBLGPJQSZMMOU-IRXDYDNUSA-N 2 0 339.528 1.138 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(C(=O)NC)cc2)C1 ZINC000354085744 445894281 /nfs/dbraw/zinc/89/42/81/445894281.db2.gz YHQFONPDXXJWNG-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000361720087 445897832 /nfs/dbraw/zinc/89/78/32/445897832.db2.gz XFRXVJFHNZQXLS-XJKSGUPXSA-N 2 0 325.478 1.483 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000364221111 445902337 /nfs/dbraw/zinc/90/23/37/445902337.db2.gz NOOIKOTYOVLUHH-NTODXPRQSA-N 2 0 337.508 1.756 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@@H]2C)C1 ZINC000354178205 445974382 /nfs/dbraw/zinc/97/43/82/445974382.db2.gz JYKBFHAQCBRSHU-GVDBMIGSSA-N 2 0 340.512 1.061 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)C2CCCCC2)CC1 ZINC000583130072 326006803 /nfs/dbraw/zinc/00/68/03/326006803.db2.gz IZYNQQPMWRANEA-KRWDZBQOSA-N 2 0 325.497 1.506 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000583510624 326088027 /nfs/dbraw/zinc/08/80/27/326088027.db2.gz XNUSWVLSYGBHCV-JFIYKMOQSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1F ZINC000583516996 326088695 /nfs/dbraw/zinc/08/86/95/326088695.db2.gz XTRIBUBYBPYTIG-ZFWWWQNUSA-N 2 0 325.428 1.093 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000583945666 326172203 /nfs/dbraw/zinc/17/22/03/326172203.db2.gz CHGQDLFTULQSJB-NVXWUHKLSA-N 2 0 326.485 1.175 20 0 EDADRP CN1CCN(C(=O)NC[C@H]2CCCC[C@H]2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000584281561 326233926 /nfs/dbraw/zinc/23/39/26/326233926.db2.gz ZFEUPEWGFLBLBZ-JHJVBQTASA-N 2 0 336.402 1.639 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(-n2ccnc2)nc1 ZINC000366193180 446073519 /nfs/dbraw/zinc/07/35/19/446073519.db2.gz SBPLNLUHEIOHGK-INIZCTEOSA-N 2 0 341.415 1.250 20 0 EDADRP C[C@@H]1CSCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365202946 446077719 /nfs/dbraw/zinc/07/77/19/446077719.db2.gz MJLBZZWJPQRAMQ-LSDHHAIUSA-N 2 0 340.537 1.549 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000351478110 446078938 /nfs/dbraw/zinc/07/89/38/446078938.db2.gz OVOOWAPJYQYVCA-QEWYBTABSA-N 2 0 349.450 1.850 20 0 EDADRP C[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000359303457 446136308 /nfs/dbraw/zinc/13/63/08/446136308.db2.gz XIIUYPMTZVGRGA-HIFRSBDPSA-N 2 0 338.402 1.611 20 0 EDADRP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)CC2)cc1 ZINC000365313146 446140564 /nfs/dbraw/zinc/14/05/64/446140564.db2.gz AQOSVIUOJKSYQG-ZWKOTPCHSA-N 2 0 331.460 1.046 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1C ZINC000354330856 446118451 /nfs/dbraw/zinc/11/84/51/446118451.db2.gz BEVXLBSVUHUXHL-BPQIPLTHSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000373262522 446130226 /nfs/dbraw/zinc/13/02/26/446130226.db2.gz XRSOKASWBZFZBN-GJZGRUSLSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@H](CNc3ccccn3)C2)C[C@H](C)O1 ZINC000356963483 446161878 /nfs/dbraw/zinc/16/18/78/446161878.db2.gz WPZVTSKOFWRXSD-XMTFNYHQSA-N 2 0 348.491 1.286 20 0 EDADRP Cc1ccncc1CCC[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000373336570 446168998 /nfs/dbraw/zinc/16/89/98/446168998.db2.gz GSVXXOACUNGUCP-MRXNPFEDSA-N 2 0 325.478 1.725 20 0 EDADRP O=C(N[C@H]1CC[NH+](C2CC2)C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359368362 446177057 /nfs/dbraw/zinc/17/70/57/446177057.db2.gz SEOJHXUPSNBVET-IRXDYDNUSA-N 2 0 328.460 1.797 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365390770 446184247 /nfs/dbraw/zinc/18/42/47/446184247.db2.gz KOXNBNTVQYLFKT-SJLPKXTDSA-N 2 0 347.507 1.781 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370164954 446187164 /nfs/dbraw/zinc/18/71/64/446187164.db2.gz UHRUMLQJIPAYMS-BZUAXINKSA-N 2 0 345.491 1.501 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366407059 446197108 /nfs/dbraw/zinc/19/71/08/446197108.db2.gz DDKCXCZVUCNGHM-HUUCEWRRSA-N 2 0 329.448 1.304 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)cs1 ZINC000366419570 446204351 /nfs/dbraw/zinc/20/43/51/446204351.db2.gz SOYKOAYAEDRGCO-CHWSQXEVSA-N 2 0 334.420 1.350 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)O1 ZINC000370293554 446217287 /nfs/dbraw/zinc/21/72/87/446217287.db2.gz GZLJXFPHFWFIAZ-ZACQAIPSSA-N 2 0 332.448 1.059 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnccc2N(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000370372855 446251389 /nfs/dbraw/zinc/25/13/89/446251389.db2.gz FIAHDRKSTMQZJN-NVXWUHKLSA-N 2 0 345.491 1.246 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000366588573 446271372 /nfs/dbraw/zinc/27/13/72/446271372.db2.gz CRSJVJXOCPEYEL-OALUTQOASA-N 2 0 335.467 1.959 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000359607245 446317069 /nfs/dbraw/zinc/31/70/69/446317069.db2.gz DJSUMTBIXMIBHW-OALUTQOASA-N 2 0 345.487 1.744 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@@H](C)C[NH3+])CC2)cc1 ZINC000417328980 446345467 /nfs/dbraw/zinc/34/54/67/446345467.db2.gz IZOGMLBHOWUZHM-HNNXBMFYSA-N 2 0 348.491 1.801 20 0 EDADRP COC[C@H]([NH3+])C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000376145245 446353195 /nfs/dbraw/zinc/35/31/95/446353195.db2.gz SODDSYHTLWKTLE-OKZBNKHCSA-N 2 0 331.460 1.616 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417504396 446355595 /nfs/dbraw/zinc/35/55/95/446355595.db2.gz NEZSYDBNTKXTHB-RBUKOAKNSA-N 2 0 344.503 1.850 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417511332 446357929 /nfs/dbraw/zinc/35/79/29/446357929.db2.gz YSMNGLXESQSGEV-ROUUACIJSA-N 2 0 330.476 1.554 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000417563607 446365771 /nfs/dbraw/zinc/36/57/71/446365771.db2.gz HGKOKBGAXWMYHC-WMZOPIPTSA-N 2 0 348.491 1.659 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000417946161 446394819 /nfs/dbraw/zinc/39/48/19/446394819.db2.gz GHSCCFAWNYNFSN-GOEBONIOSA-N 2 0 349.479 1.148 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[C@H]2CCC[NH2+]C2)ccn1 ZINC000417953503 446398241 /nfs/dbraw/zinc/39/82/41/446398241.db2.gz PQIQQXVTFPCVNQ-OAHLLOKOSA-N 2 0 349.479 1.211 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)CCC(F)(F)F ZINC000418075512 446433308 /nfs/dbraw/zinc/43/33/08/446433308.db2.gz HBQLXEZDOKDIGJ-STQMWFEESA-N 2 0 336.402 1.512 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778571 446436286 /nfs/dbraw/zinc/43/62/86/446436286.db2.gz GKPWGWZQMKZNAR-UZLBHIALSA-N 2 0 345.487 1.566 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)C1CC1 ZINC000418135213 446442491 /nfs/dbraw/zinc/44/24/91/446442491.db2.gz HRRZBRGOTPKYHK-QZTJIDSGSA-N 2 0 346.475 1.185 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000423185486 446448212 /nfs/dbraw/zinc/44/82/12/446448212.db2.gz NRIYTGYAZRTCRJ-RTBURBONSA-N 3 0 344.503 1.601 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418183183 446449832 /nfs/dbraw/zinc/44/98/32/446449832.db2.gz NUTQGURRJGRKCO-NUJGCVRESA-N 2 0 348.491 1.745 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982348 446406473 /nfs/dbraw/zinc/40/64/73/446406473.db2.gz AAQCONAKNDMWKI-WMZOPIPTSA-N 2 0 348.491 1.432 20 0 EDADRP C[NH2+]CCCNC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417984522 446407982 /nfs/dbraw/zinc/40/79/82/446407982.db2.gz GIEKOIWGCPJXKA-MSOLQXFVSA-N 2 0 346.475 1.882 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N(C)[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417989470 446408523 /nfs/dbraw/zinc/40/85/23/446408523.db2.gz LJANGGUGBMZATA-FSPWUOQZSA-N 2 0 346.475 1.962 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC(C[NH3+])CC1 ZINC000418008305 446413642 /nfs/dbraw/zinc/41/36/42/446413642.db2.gz HDKIVTYYDNSOSC-QAPCUYQASA-N 2 0 330.476 1.887 20 0 EDADRP CCC[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000374931419 446465783 /nfs/dbraw/zinc/46/57/83/446465783.db2.gz IKFOOPRIQFOJPP-QGZVFWFLSA-N 2 0 338.540 1.593 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000420306599 446469238 /nfs/dbraw/zinc/46/92/38/446469238.db2.gz QMKWRKXPDCYGKQ-HBMCJLEFSA-N 2 0 340.467 1.899 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313822 446477111 /nfs/dbraw/zinc/47/71/11/446477111.db2.gz JKNOJDXRVSGQEJ-AEFFLSMTSA-N 2 0 330.476 1.779 20 0 EDADRP CC[C@]1(C(=O)N2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CC[NH2+]C1 ZINC000370844620 446477236 /nfs/dbraw/zinc/47/72/36/446477236.db2.gz WDCUSIOZJWWNMB-LMMKCTJWSA-N 2 0 336.524 1.393 20 0 EDADRP CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1COc2ccccc2O1 ZINC000420318324 446483641 /nfs/dbraw/zinc/48/36/41/446483641.db2.gz OMFYXIVEYJTZSX-BZSNNMDCSA-N 2 0 342.439 1.689 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420319907 446485354 /nfs/dbraw/zinc/48/53/54/446485354.db2.gz AXDKDHRJNXZAPP-ROUUACIJSA-N 2 0 345.487 1.771 20 0 EDADRP C[C@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420322253 446487124 /nfs/dbraw/zinc/48/71/24/446487124.db2.gz SHDJSZXFTVDAJU-KGLIPLIRSA-N 2 0 325.478 1.717 20 0 EDADRP CN(C)C(=O)[C@H](c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323329 446489468 /nfs/dbraw/zinc/48/94/68/446489468.db2.gz GDECBIJPOVQZNE-IRXDYDNUSA-N 2 0 331.460 1.503 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000418356019 446512082 /nfs/dbraw/zinc/51/20/82/446512082.db2.gz GGAOAKANBGROSK-OIISXLGYSA-N 2 0 340.512 1.381 20 0 EDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392376 446514893 /nfs/dbraw/zinc/51/48/93/446514893.db2.gz QHDVYYSNWLDLER-JSGCOSHPSA-N 2 0 331.386 1.223 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000423359118 446499650 /nfs/dbraw/zinc/49/96/50/446499650.db2.gz KHBIBNFKPXGDCH-HNNXBMFYSA-N 2 0 332.492 1.710 20 0 EDADRP Cc1cccc(C)c1OCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343149 446516017 /nfs/dbraw/zinc/51/60/17/446516017.db2.gz RFKRLVZLFNAVPY-HDICACEKSA-N 2 0 345.487 1.730 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)CCCO1 ZINC000420389133 446564765 /nfs/dbraw/zinc/56/47/65/446564765.db2.gz LYKZGWJVUQUWBI-AWEZNQCLSA-N 2 0 325.840 1.396 20 0 EDADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423400709 446517530 /nfs/dbraw/zinc/51/75/30/446517530.db2.gz XBAVFWLPYNMDJA-TZMCWYRMSA-N 2 0 333.402 1.951 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000423400174 446517876 /nfs/dbraw/zinc/51/78/76/446517876.db2.gz FMVGKXNJUKUODM-UHFFFAOYSA-N 2 0 344.459 1.580 20 0 EDADRP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)ccc2o1 ZINC000420345909 446519197 /nfs/dbraw/zinc/51/91/97/446519197.db2.gz BWLNAYYLFFUKMS-MRXNPFEDSA-N 2 0 343.427 1.699 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418375618 446519986 /nfs/dbraw/zinc/51/99/86/446519986.db2.gz DZJRJADJJKUIEN-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423410234 446521188 /nfs/dbraw/zinc/52/11/88/446521188.db2.gz CWKVJKOTSSGMDO-CVEARBPZSA-N 2 0 340.512 1.153 20 0 EDADRP CCC[C@H]1CN(C(=O)NC2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000418376836 446521416 /nfs/dbraw/zinc/52/14/16/446521416.db2.gz APNBNWSCHREDMA-GPANFISMSA-N 2 0 326.485 1.399 20 0 EDADRP COc1cccc(CNC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347690 446523037 /nfs/dbraw/zinc/52/30/37/446523037.db2.gz ZEPULLOVYDTCPY-BHYGNILZSA-N 2 0 331.460 1.631 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423412902 446523791 /nfs/dbraw/zinc/52/37/91/446523791.db2.gz XNQXKWLJMHRZRK-BPLDGKMQSA-N 2 0 325.250 1.476 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC[NH2+]C1 ZINC000423424207 446530010 /nfs/dbraw/zinc/53/00/10/446530010.db2.gz MSINPGKUSKXFKQ-LJQANCHMSA-N 2 0 344.459 1.768 20 0 EDADRP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420352218 446531593 /nfs/dbraw/zinc/53/15/93/446531593.db2.gz ZEILGZIWJJKMQY-HKUYNNGSSA-N 2 0 344.503 1.022 20 0 EDADRP [NH3+]CC1(CC(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)CC1 ZINC000423426595 446531671 /nfs/dbraw/zinc/53/16/71/446531671.db2.gz PPVVELGONPETMH-UHFFFAOYSA-N 2 0 349.450 1.914 20 0 EDADRP Cc1cccn2cc(CNC(=O)CCC[NH+]3CCC([NH3+])CC3)nc12 ZINC000433150834 446537696 /nfs/dbraw/zinc/53/76/96/446537696.db2.gz HALGHDSPFLOMGM-UHFFFAOYSA-N 2 0 329.448 1.462 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000418430879 446540895 /nfs/dbraw/zinc/54/08/95/446540895.db2.gz PLWIQIMBMXWJIB-DJIMGWMZSA-N 2 0 334.464 1.173 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423449041 446542528 /nfs/dbraw/zinc/54/25/28/446542528.db2.gz VVWBWNVDVBAPSM-CABCVRRESA-N 2 0 333.480 1.823 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000433178402 446543502 /nfs/dbraw/zinc/54/35/02/446543502.db2.gz RVAVCLOSXKHJCB-QGZVFWFLSA-N 3 0 336.524 1.524 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000453118839 446545067 /nfs/dbraw/zinc/54/50/67/446545067.db2.gz JAEPNBVEAOTNNL-LPHOPBHVSA-N 2 0 326.444 1.634 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000418447644 446546461 /nfs/dbraw/zinc/54/64/61/446546461.db2.gz ISHWIQMPLJJUBO-DAWZGUTISA-N 2 0 345.491 1.202 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418556083 446592142 /nfs/dbraw/zinc/59/21/42/446592142.db2.gz DZYFGEADTAMXKV-IAGOWNOFSA-N 3 0 339.528 1.186 20 0 EDADRP CN(CC[NH+](C)C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574416 446601292 /nfs/dbraw/zinc/60/12/92/446601292.db2.gz VJLFEESETJVSPC-CJNGLKHVSA-N 2 0 340.418 1.613 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367886003 446603771 /nfs/dbraw/zinc/60/37/71/446603771.db2.gz NARRZOYHVPWZAO-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[NH2+]1 ZINC000418599097 446609696 /nfs/dbraw/zinc/60/96/96/446609696.db2.gz JIIBPORKBAUVTN-JKSUJKDBSA-N 3 0 327.517 1.042 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@H](C)C1 ZINC000418674533 446644119 /nfs/dbraw/zinc/64/41/19/446644119.db2.gz OTBBKORAIPTKQW-RYRKJORJSA-N 2 0 348.491 1.563 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000423721740 446659359 /nfs/dbraw/zinc/65/93/59/446659359.db2.gz FSYYHOBQNGELOA-IBGZPJMESA-N 2 0 331.460 1.729 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418737786 446662230 /nfs/dbraw/zinc/66/22/30/446662230.db2.gz WCIAULPDGMBTCZ-NVXWUHKLSA-N 2 0 333.480 1.815 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)o1 ZINC000375238957 446664074 /nfs/dbraw/zinc/66/40/74/446664074.db2.gz SRJXETZISUHHFU-UHFFFAOYSA-N 2 0 349.475 1.916 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418634303 446625227 /nfs/dbraw/zinc/62/52/27/446625227.db2.gz JEOHMJHVGCEBPX-LHHMISFZSA-N 2 0 328.460 1.561 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@H](C)CO)C2CCCC2)CC1 ZINC000411610046 446626068 /nfs/dbraw/zinc/62/60/68/446626068.db2.gz XPNQUOZIGDXBHO-OAHLLOKOSA-N 2 0 325.497 1.601 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418637750 446628224 /nfs/dbraw/zinc/62/82/24/446628224.db2.gz OAVPQCJYLDYQGF-GOSISDBHSA-N 2 0 330.476 1.999 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000423765769 446695022 /nfs/dbraw/zinc/69/50/22/446695022.db2.gz ZJYQYZCCEHPVDB-CQSZACIVSA-N 2 0 347.459 1.711 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCNCC2(F)F)[C@@H](C)C1 ZINC000418778848 446697461 /nfs/dbraw/zinc/69/74/61/446697461.db2.gz YXTPHGQXWHCYMD-MJBXVCDLSA-N 2 0 332.439 1.603 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418785505 446701083 /nfs/dbraw/zinc/70/10/83/446701083.db2.gz ICZGRIAMCCNHBJ-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[N@@H+](C2CCC2)C1 ZINC000418805698 446713204 /nfs/dbraw/zinc/71/32/04/446713204.db2.gz XYPMSBMVGCMHDC-YLFCFFPRSA-N 2 0 334.508 1.890 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000418758905 446679035 /nfs/dbraw/zinc/67/90/35/446679035.db2.gz IYCUVFARHKZBPU-QGZVFWFLSA-N 2 0 347.507 1.100 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000423749971 446680718 /nfs/dbraw/zinc/68/07/18/446680718.db2.gz WXALBOUHDILAGN-DLBZAZTESA-N 2 0 334.508 1.005 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C2([NH3+])CCCCC2)CC1 ZINC000423751802 446681684 /nfs/dbraw/zinc/68/16/84/446681684.db2.gz BIWTZUZNXXBOPB-UHFFFAOYSA-N 2 0 325.453 1.039 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418764741 446683253 /nfs/dbraw/zinc/68/32/53/446683253.db2.gz JMJBTVBSMDBLJD-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000371303670 446759941 /nfs/dbraw/zinc/75/99/41/446759941.db2.gz PRSFVOMYMLNISU-INIZCTEOSA-N 2 0 336.505 1.028 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)C1CCCCC1 ZINC000437826975 446763304 /nfs/dbraw/zinc/76/33/04/446763304.db2.gz FCZHLRJAYWSRFF-QZTJIDSGSA-N 2 0 339.524 1.802 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424008619 446822248 /nfs/dbraw/zinc/82/22/48/446822248.db2.gz IMFJAVNVODMEJC-RCCFBDPRSA-N 2 0 327.403 1.649 20 0 EDADRP C[NH2+]CCCN(C)C(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000424015842 446823669 /nfs/dbraw/zinc/82/36/69/446823669.db2.gz AWJCUDFXPUBXDL-UHFFFAOYSA-N 2 0 332.492 1.899 20 0 EDADRP COCC[C@@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000424041430 446830082 /nfs/dbraw/zinc/83/00/82/446830082.db2.gz TXLQMRUDGBYOOS-LESCRADOSA-N 2 0 335.423 1.095 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000419016256 446867958 /nfs/dbraw/zinc/86/79/58/446867958.db2.gz FRNWEBXCVPNFCV-PBHICJAKSA-N 2 0 346.475 1.011 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000368482480 446890303 /nfs/dbraw/zinc/89/03/03/446890303.db2.gz NHLKQFQBYYUYGF-ZBFHGGJFSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442776998 446966317 /nfs/dbraw/zinc/96/63/17/446966317.db2.gz IAHXIHDETVBTMX-IIAWOOMASA-N 2 0 347.459 1.174 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000454947831 447011513 /nfs/dbraw/zinc/01/15/13/447011513.db2.gz VATGOALURBFAPA-OFQRWUPVSA-N 2 0 336.484 1.052 20 0 EDADRP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000375741150 447015166 /nfs/dbraw/zinc/01/51/66/447015166.db2.gz CNZPTGATTULWON-LVGQOLGVSA-N 2 0 335.492 1.331 20 0 EDADRP C[N@@H+]1CCCC12CCN(CCN1C(=O)NC3(CCCC3)C1=O)CC2 ZINC000377200129 446988942 /nfs/dbraw/zinc/98/89/42/446988942.db2.gz XAUWNMJUJWXYPM-UHFFFAOYSA-N 2 0 334.464 1.411 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C1 ZINC000443058947 446999468 /nfs/dbraw/zinc/99/94/68/446999468.db2.gz OUEQMBMFGHUNQB-CRAIPNDOSA-N 2 0 349.450 1.786 20 0 EDADRP C[C@@H](CC(=O)N1CC[NH+]([C@@H]2CCSC2)CC1)C1CC[NH2+]CC1 ZINC000372101881 447001420 /nfs/dbraw/zinc/00/14/20/447001420.db2.gz LNTZEHIXABYFLB-GOEBONIOSA-N 2 0 325.522 1.662 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368704246 447053538 /nfs/dbraw/zinc/05/35/38/447053538.db2.gz OMWKVAKVIOCBBU-MRXNPFEDSA-N 2 0 325.416 1.341 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000444393313 447100829 /nfs/dbraw/zinc/10/08/29/447100829.db2.gz QDMPZJKREVKUGS-IRXDYDNUSA-N 2 0 347.503 1.811 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCCCC[NH2+]3)ccc2oc1=O ZINC000368740581 447078299 /nfs/dbraw/zinc/07/82/99/447078299.db2.gz NXOMDTVLILXUII-AWEZNQCLSA-N 2 0 346.431 1.627 20 0 EDADRP Nc1cc[nH+]cc1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000444174799 447087338 /nfs/dbraw/zinc/08/73/38/447087338.db2.gz IKOCBQJDKKMGCG-UHFFFAOYSA-N 2 0 326.400 1.703 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000444383001 447097978 /nfs/dbraw/zinc/09/79/78/447097978.db2.gz QTSWQCSXBDYNFG-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000419404383 447154410 /nfs/dbraw/zinc/15/44/10/447154410.db2.gz GDGHKTLNWFQFSK-HOCLYGCPSA-N 2 0 338.496 1.001 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000425473154 447180344 /nfs/dbraw/zinc/18/03/44/447180344.db2.gz XEVJUPYFRTWVED-CVEARBPZSA-N 2 0 340.512 1.467 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@@H]2C)C1 ZINC000419458036 447192406 /nfs/dbraw/zinc/19/24/06/447192406.db2.gz YHUYRDQNERTWOK-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1COCCN1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425505369 447198618 /nfs/dbraw/zinc/19/86/18/447198618.db2.gz YIWNNNJDOUQJHC-YZGWKJHDSA-N 2 0 329.488 1.913 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@@H]1C ZINC000419428621 447169611 /nfs/dbraw/zinc/16/96/11/447169611.db2.gz ATLVZKVXXGCGPO-QZWWFDLISA-N 2 0 340.512 1.203 20 0 EDADRP OC[C@H]1CCCC[NH+](CCOCC[N@H+]2CCCC[C@H](CO)C2)C1 ZINC000372704098 447235269 /nfs/dbraw/zinc/23/52/69/447235269.db2.gz QYGOBPAXMOLVLQ-ROUUACIJSA-N 2 0 328.497 1.192 20 0 EDADRP CCC[C@@]1(CO)CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000377601685 447235675 /nfs/dbraw/zinc/23/56/75/447235675.db2.gz AODWHYPLVIIPFQ-GOSISDBHSA-N 2 0 325.497 1.460 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000377630817 447256879 /nfs/dbraw/zinc/25/68/79/447256879.db2.gz TUNSMORZRQXRPX-QGZVFWFLSA-N 2 0 327.476 1.794 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369028374 447274861 /nfs/dbraw/zinc/27/48/61/447274861.db2.gz QATMHYODUKGBQP-IRXDYDNUSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(CN1CC[NH2+]CC1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379648245 447453746 /nfs/dbraw/zinc/45/37/46/447453746.db2.gz AGRDGOJMVQYWLT-SFHVURJKSA-N 2 0 330.476 1.063 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000389931409 447488845 /nfs/dbraw/zinc/48/88/45/447488845.db2.gz LEAIMYLHOZEOBK-MAUKXSAKSA-N 2 0 331.460 1.392 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000422366491 447507034 /nfs/dbraw/zinc/50/70/34/447507034.db2.gz PTQHRQPWWPDTDX-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495913360 447639387 /nfs/dbraw/zinc/63/93/87/447639387.db2.gz QBSIRCTUSQDCQR-SJLPKXTDSA-N 2 0 336.480 1.133 20 0 EDADRP CCO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000459153674 447598436 /nfs/dbraw/zinc/59/84/36/447598436.db2.gz JIROHQXBYAWRCK-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1cccc(F)c1 ZINC000416825235 447692559 /nfs/dbraw/zinc/69/25/59/447692559.db2.gz AOKRGAYDQCJYPZ-ZMSDIMECSA-N 2 0 334.439 1.679 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H](C)C[C@H]2C[NH3+])C1 ZINC000416868648 447699326 /nfs/dbraw/zinc/69/93/26/447699326.db2.gz MBLPVCSRRRRDAP-OWCLPIDISA-N 2 0 326.485 1.112 20 0 EDADRP C[N@H+](CCCNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000416867930 447699556 /nfs/dbraw/zinc/69/95/56/447699556.db2.gz DKKJMVNDYCUQBK-QGZVFWFLSA-N 2 0 334.464 1.268 20 0 EDADRP C[N@H+](CCCNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416874311 447700560 /nfs/dbraw/zinc/70/05/60/447700560.db2.gz PHNPGKKFJUTJSV-CQSZACIVSA-N 2 0 328.407 1.790 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000422623635 447675040 /nfs/dbraw/zinc/67/50/40/447675040.db2.gz XCHAQHIUYNNGTI-INIZCTEOSA-N 2 0 334.464 1.180 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416923263 447711164 /nfs/dbraw/zinc/71/11/64/447711164.db2.gz NTZZQCDNNSAZKF-RDJZCZTQSA-N 2 0 334.464 1.739 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](OC(=O)N(C)C)C2)CC1 ZINC000496126276 447717675 /nfs/dbraw/zinc/71/76/75/447717675.db2.gz GDYCRXQTPJSDDK-KRWDZBQOSA-N 2 0 340.512 1.565 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000416943724 447720096 /nfs/dbraw/zinc/72/00/96/447720096.db2.gz CSIOPFUMXYYSQH-OAHLLOKOSA-N 2 0 327.517 1.075 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@H](C)O1 ZINC000416950445 447723499 /nfs/dbraw/zinc/72/34/99/447723499.db2.gz RFUVNBKZHMRBLX-HLLBOEOZSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000416951840 447723672 /nfs/dbraw/zinc/72/36/72/447723672.db2.gz SEQFQTKRPHJMKY-OWCLPIDISA-N 2 0 326.485 1.175 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@H]2[NH3+])s1 ZINC000422714142 447725653 /nfs/dbraw/zinc/72/56/53/447725653.db2.gz KRFTXADGVFFLGV-ZIAGYGMSSA-N 2 0 345.534 1.791 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000422732278 447732229 /nfs/dbraw/zinc/73/22/29/447732229.db2.gz NXVHSOJNYSPAPQ-NVXWUHKLSA-N 2 0 327.432 1.739 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000422738571 447733667 /nfs/dbraw/zinc/73/36/67/447733667.db2.gz JVVXEMBHEAHPPU-YOEHRIQHSA-N 2 0 339.505 1.731 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000458174403 447736280 /nfs/dbraw/zinc/73/62/80/447736280.db2.gz SHZVMGOEGAWPNR-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000417172564 447736453 /nfs/dbraw/zinc/73/64/53/447736453.db2.gz KUGNATJWJZKMML-INIZCTEOSA-N 2 0 334.464 1.741 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000422755552 447740751 /nfs/dbraw/zinc/74/07/51/447740751.db2.gz FUDFSQFYXDICFZ-SJLPKXTDSA-N 2 0 330.476 1.313 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N2CCOCC2)cc1OC ZINC000422762570 447743370 /nfs/dbraw/zinc/74/33/70/447743370.db2.gz IIESFGUQKVXUSB-ZACQAIPSSA-N 2 0 349.475 1.547 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422776676 447748036 /nfs/dbraw/zinc/74/80/36/447748036.db2.gz AYUXKNSJQXDWFR-BZUAXINKSA-N 2 0 348.491 1.751 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000459716905 447750930 /nfs/dbraw/zinc/75/09/30/447750930.db2.gz QFZZERQIPNMSSJ-QFBILLFUSA-N 2 0 343.475 1.324 20 0 EDADRP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422791284 447751297 /nfs/dbraw/zinc/75/12/97/447751297.db2.gz QDHGRICKTYBAQV-FGTMMUONSA-N 2 0 331.460 1.951 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844353 447767877 /nfs/dbraw/zinc/76/78/77/447767877.db2.gz LNUTUQGFDYJAKX-AEFFLSMTSA-N 2 0 330.476 1.442 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CN[C@@H](C)C2C[NH2+]C2)s1 ZINC000422943014 447776879 /nfs/dbraw/zinc/77/68/79/447776879.db2.gz XJVCNGVIGYJSGT-NSHDSACASA-N 2 0 331.507 1.476 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@@H](O)Cc2ccccc2)CC[NH2+]CC1 ZINC000422995530 447788933 /nfs/dbraw/zinc/78/89/33/447788933.db2.gz KILAKJDPVUWIRX-BQFCYCMXSA-N 2 0 348.487 1.890 20 0 EDADRP CC(C)C[C@H](N[C@H]1C[C@H]([NH3+])c2ccccc21)C(=O)NCC[NH+](C)C ZINC000423023859 447793005 /nfs/dbraw/zinc/79/30/05/447793005.db2.gz IHGLXEPAOQXVIW-BZSNNMDCSA-N 2 0 332.492 1.813 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000462005195 447797581 /nfs/dbraw/zinc/79/75/81/447797581.db2.gz FKYNZEZKTFQWTJ-JYJNAYRXSA-N 2 0 328.501 1.202 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000489326856 447854813 /nfs/dbraw/zinc/85/48/13/447854813.db2.gz KPOLEOCXRHTBML-IRXDYDNUSA-N 2 0 325.497 1.578 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000489388585 447855149 /nfs/dbraw/zinc/85/51/49/447855149.db2.gz GQWLIRJKPFMIRV-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC[C@H](CSc1ccccc1)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000570066315 447942303 /nfs/dbraw/zinc/94/23/03/447942303.db2.gz JTYKRDVWUVGVRZ-CABCVRRESA-N 2 0 336.505 1.842 20 0 EDADRP CC[C@@H](CSc1ccccc1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570066318 447943154 /nfs/dbraw/zinc/94/31/54/447943154.db2.gz JTYKRDVWUVGVRZ-LSDHHAIUSA-N 2 0 336.505 1.842 20 0 EDADRP CC(C)[N@@H+]1CCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000497204630 447956635 /nfs/dbraw/zinc/95/66/35/447956635.db2.gz XQYBDRXIPGSLFW-SFHVURJKSA-N 2 0 336.480 1.277 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000524371910 447927253 /nfs/dbraw/zinc/92/72/53/447927253.db2.gz WLJIYRLJYIPUKH-IEBWSBKVSA-N 2 0 331.460 1.176 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000576154665 447984346 /nfs/dbraw/zinc/98/43/46/447984346.db2.gz HBKOSLSAJRKTIL-HNNXBMFYSA-N 2 0 333.480 1.796 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000531058153 448010580 /nfs/dbraw/zinc/01/05/80/448010580.db2.gz JECXJHPETWRVSG-GOSISDBHSA-N 2 0 344.503 1.657 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000576253905 448011860 /nfs/dbraw/zinc/01/18/60/448011860.db2.gz MCPXKKXOIWGESS-AEFFLSMTSA-N 2 0 346.475 1.965 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCc1nc2ccccc2[nH]1 ZINC000531118859 448023273 /nfs/dbraw/zinc/02/32/73/448023273.db2.gz FNCYOENSGVUZPX-UHFFFAOYSA-N 2 0 345.491 1.837 20 0 EDADRP CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554574178 448036805 /nfs/dbraw/zinc/03/68/05/448036805.db2.gz KBCMUKAEUPDEJQ-HOCLYGCPSA-N 2 0 329.510 1.168 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294584 448057049 /nfs/dbraw/zinc/05/70/49/448057049.db2.gz OWZLYRHRHMQGAL-QUCCMNQESA-N 2 0 347.503 1.716 20 0 EDADRP COCC[NH2+]CC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000576587597 448092615 /nfs/dbraw/zinc/09/26/15/448092615.db2.gz LZQSVUKFHNDZOT-UHFFFAOYSA-N 2 0 334.464 1.383 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000501742044 448096349 /nfs/dbraw/zinc/09/63/49/448096349.db2.gz AAMWXXATCONZFM-VGWMRTNUSA-N 2 0 326.485 1.220 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000502652934 448102925 /nfs/dbraw/zinc/10/29/25/448102925.db2.gz RGCFBUMTNJOLAJ-RCCFBDPRSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000531625051 448118183 /nfs/dbraw/zinc/11/81/83/448118183.db2.gz XHBBDIXNHGVOPL-HNNXBMFYSA-N 2 0 338.496 1.005 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000576758335 448133183 /nfs/dbraw/zinc/13/31/83/448133183.db2.gz NBWMZICYAZQQEL-LSDHHAIUSA-N 2 0 331.464 1.680 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000571311733 448134084 /nfs/dbraw/zinc/13/40/84/448134084.db2.gz ZNVNDYNRBRVPTB-UONOGXRCSA-N 2 0 340.512 1.392 20 0 EDADRP O=C(Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1)[C@H]1CCC[NH+]1C1CC1 ZINC000557024300 448176098 /nfs/dbraw/zinc/17/60/98/448176098.db2.gz UQWWYQVDWGWFDE-ZWKOTPCHSA-N 2 0 329.444 1.819 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)/C=C\C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000492104387 448180929 /nfs/dbraw/zinc/18/09/29/448180929.db2.gz SXKYKWXKOZROCS-YKZUCCNHSA-N 2 0 337.508 1.842 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H](C[NH3+])C2)[C@H](C)C1 ZINC000577047283 448199636 /nfs/dbraw/zinc/19/96/36/448199636.db2.gz QNHRULFQXIPRBP-IKGGRYGDSA-N 2 0 340.512 1.504 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772497 448204289 /nfs/dbraw/zinc/20/42/89/448204289.db2.gz ACTPLNSWULMAHA-CHWSQXEVSA-N 2 0 332.473 1.767 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H](N)c1cscn1 ZINC000582414553 448229659 /nfs/dbraw/zinc/22/96/59/448229659.db2.gz DSZMCHAGBIOZFB-IVMMDQJWSA-N 2 0 330.457 1.780 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCCC1 ZINC000577207683 448236666 /nfs/dbraw/zinc/23/66/66/448236666.db2.gz VTPLCKGQTAPXHJ-DLBZAZTESA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532202251 448214786 /nfs/dbraw/zinc/21/47/86/448214786.db2.gz PONXHPIQZUQCTN-INIZCTEOSA-N 2 0 332.496 1.061 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1 ZINC000582457524 448241755 /nfs/dbraw/zinc/24/17/55/448241755.db2.gz UBABSIFICHSCGE-IAGOWNOFSA-N 2 0 336.455 1.816 20 0 EDADRP COCCN(C)C[C@@H](O)C[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000572056733 448274467 /nfs/dbraw/zinc/27/44/67/448274467.db2.gz ZCEBAQIGJCOPTF-GOSISDBHSA-N 2 0 348.487 1.490 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)[N@H+](C)C1 ZINC000515402842 448308459 /nfs/dbraw/zinc/30/84/59/448308459.db2.gz HFFDQWUTDXDTOR-KKUMJFAQSA-N 2 0 326.485 1.125 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000577372568 448279761 /nfs/dbraw/zinc/27/97/61/448279761.db2.gz FRZBOBIFFCNASX-MRXNPFEDSA-N 2 0 342.447 1.195 20 0 EDADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N[C@H]1CCC[NH2+]C1 ZINC000577475325 448305802 /nfs/dbraw/zinc/30/58/02/448305802.db2.gz OWISBJDKQNPMJI-HSBZDZAISA-N 2 0 348.413 1.843 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000572301689 448340749 /nfs/dbraw/zinc/34/07/49/448340749.db2.gz MINOUKUVJPLZDT-UHFFFAOYSA-N 2 0 347.503 1.756 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000493014568 448348966 /nfs/dbraw/zinc/34/89/66/448348966.db2.gz IDYIYESABQYKTG-OEPRFQHASA-N 2 0 331.460 1.512 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000515851829 448358198 /nfs/dbraw/zinc/35/81/98/448358198.db2.gz INLBMMAXRJYJMK-JYJNAYRXSA-N 2 0 333.480 1.685 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000577590471 448333933 /nfs/dbraw/zinc/33/39/33/448333933.db2.gz XDQAOYJSEDNLFR-MRXNPFEDSA-N 2 0 331.464 1.702 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000577831572 448395434 /nfs/dbraw/zinc/39/54/34/448395434.db2.gz CMVDDJMOAAPMOP-JFIYKMOQSA-N 2 0 330.476 1.806 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000577846775 448401114 /nfs/dbraw/zinc/40/11/14/448401114.db2.gz ZRXYPOKSUCFPPG-LJQANCHMSA-N 2 0 342.487 1.530 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000566199625 448413772 /nfs/dbraw/zinc/41/37/72/448413772.db2.gz VPAFWBVIFITVMK-QAPCUYQASA-N 2 0 330.476 1.879 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1conc1C(C)(C)[NH3+] ZINC000516489987 448427809 /nfs/dbraw/zinc/42/78/09/448427809.db2.gz ANYIMWGLEXYYCZ-UHFFFAOYSA-N 2 0 346.431 1.739 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000572647265 448431238 /nfs/dbraw/zinc/43/12/38/448431238.db2.gz GVDMZXGSGJBPSL-OKZBNKHCSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H]1C[C@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000591757049 448483007 /nfs/dbraw/zinc/48/30/07/448483007.db2.gz TXAQEWMQXBCXSG-ZBFHGGJFSA-N 2 0 332.448 1.462 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1CCOC ZINC000584400519 448511587 /nfs/dbraw/zinc/51/15/87/448511587.db2.gz RQKLIJAUCRMZOT-KGLIPLIRSA-N 2 0 348.438 1.126 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000584458717 448533892 /nfs/dbraw/zinc/53/38/92/448533892.db2.gz DSAWSKFKGTZIOB-WMZOPIPTSA-N 2 0 346.475 1.520 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528445646 448531409 /nfs/dbraw/zinc/53/14/09/448531409.db2.gz NWQWOIODRPVRAY-QGZVFWFLSA-N 2 0 339.524 1.002 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000517235030 448558680 /nfs/dbraw/zinc/55/86/80/448558680.db2.gz BNDJYCUTTTWNFZ-BTFYYFJDSA-N 2 0 333.476 1.038 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000578584321 448583005 /nfs/dbraw/zinc/58/30/05/448583005.db2.gz KWMKLLAGMMHMOQ-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528723892 448645646 /nfs/dbraw/zinc/64/56/46/448645646.db2.gz ZHXAQULVNHZFPP-HNNXBMFYSA-N 2 0 334.420 1.011 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)N(C)CC(C)(C)C[NH3+])CC1 ZINC000578994905 448688817 /nfs/dbraw/zinc/68/88/17/448688817.db2.gz ZCSBTWHVTPBMSX-UHFFFAOYSA-N 2 0 340.512 1.009 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCOC3(C[NH2+]C3)C2)cc1 ZINC000579098661 448712593 /nfs/dbraw/zinc/71/25/93/448712593.db2.gz DQLJFNOFINOQHH-MRXNPFEDSA-N 2 0 332.448 1.194 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000567362152 448677180 /nfs/dbraw/zinc/67/71/80/448677180.db2.gz SDSDWVUSJRZGAM-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000573904269 448741131 /nfs/dbraw/zinc/74/11/31/448741131.db2.gz OUSXNFDAZUHNMB-MRXNPFEDSA-N 2 0 348.447 1.089 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000567718493 448748081 /nfs/dbraw/zinc/74/80/81/448748081.db2.gz BZMDKNIEMBRZKC-JZXOWHBKSA-N 2 0 339.524 1.968 20 0 EDADRP C[NH2+]C[C@](C)(O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568049950 448807635 /nfs/dbraw/zinc/80/76/35/448807635.db2.gz ANSTXDRHGUPYAL-KRWDZBQOSA-N 2 0 325.884 1.818 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000574188399 448813087 /nfs/dbraw/zinc/81/30/87/448813087.db2.gz KEUWQHXJWIKTHO-NSHDSACASA-N 2 0 326.238 1.532 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1)C1CC1 ZINC000519601042 448796740 /nfs/dbraw/zinc/79/67/40/448796740.db2.gz MVDVMXMRWMVIGS-UHFFFAOYSA-N 2 0 331.460 1.597 20 0 EDADRP [NH3+][C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000574200066 448815434 /nfs/dbraw/zinc/81/54/34/448815434.db2.gz IYCWJLADHOZQSD-GOSISDBHSA-N 2 0 331.460 1.387 20 0 EDADRP COC(=O)c1cn([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)nn1 ZINC000592495614 448863798 /nfs/dbraw/zinc/86/37/98/448863798.db2.gz NFMZTVKZJWGHAO-OAHLLOKOSA-N 2 0 335.452 1.481 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(Cn4ccnc4)cc3)C[C@@H]21 ZINC000574528351 448896394 /nfs/dbraw/zinc/89/63/94/448896394.db2.gz BCQZATWDFXPTOH-MSOLQXFVSA-N 2 0 339.443 1.777 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000520351659 448886412 /nfs/dbraw/zinc/88/64/12/448886412.db2.gz PDGQWQNTPHNKRF-GOSISDBHSA-N 2 0 330.476 1.848 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000569233916 448986061 /nfs/dbraw/zinc/98/60/61/448986061.db2.gz MLWWESDICJZIQH-QGZVFWFLSA-N 2 0 335.473 1.611 20 0 EDADRP CN(CCC[NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000521587436 448998646 /nfs/dbraw/zinc/99/86/46/448998646.db2.gz VBAKNJAQTINSGV-SFHVURJKSA-N 2 0 347.507 1.355 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000582057918 449000492 /nfs/dbraw/zinc/00/04/92/449000492.db2.gz KGGDQWJBISCGIR-MOPGFXCFSA-N 2 0 349.519 1.598 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000569440187 449024826 /nfs/dbraw/zinc/02/48/26/449024826.db2.gz RNEGJZPZRSMSPV-INIZCTEOSA-N 2 0 340.512 1.694 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000582230707 449042977 /nfs/dbraw/zinc/04/29/77/449042977.db2.gz VFDJGMGYLAAYBM-HOTGVXAUSA-N 2 0 330.476 1.732 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238718 449090709 /nfs/dbraw/zinc/09/07/09/449090709.db2.gz BARSFMYQJMHCJJ-AABGKKOBSA-N 3 0 347.503 1.008 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241065 449092235 /nfs/dbraw/zinc/09/22/35/449092235.db2.gz PFUNBHULFTWOCQ-SFHVURJKSA-N 2 0 331.460 1.637 20 0 EDADRP CC[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)C1(C(=O)OC)CCC1 ZINC000611524345 449320102 /nfs/dbraw/zinc/32/01/02/449320102.db2.gz WKFSPEKCDUGARS-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000593915394 449283342 /nfs/dbraw/zinc/28/33/42/449283342.db2.gz WSMBBIIPAOXEMM-CYBMUJFWSA-N 2 0 327.432 1.369 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1SC ZINC000590956644 449359204 /nfs/dbraw/zinc/35/92/04/449359204.db2.gz SZGUVPZESRUYGG-QMCVQRASSA-N 2 0 327.538 1.654 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000612026726 449526241 /nfs/dbraw/zinc/52/62/41/449526241.db2.gz MEGWAYIZCUVHPY-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000594587178 449585586 /nfs/dbraw/zinc/58/55/86/449585586.db2.gz QKCVCJDNSFIZPF-BBWFWOEESA-N 2 0 337.508 1.914 20 0 EDADRP CSC1(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC[NH+](C)CC1 ZINC000594522654 449560843 /nfs/dbraw/zinc/56/08/43/449560843.db2.gz MYOVLORSOGVRQH-MRXNPFEDSA-N 2 0 327.538 1.657 20 0 EDADRP CN(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000607228833 449588160 /nfs/dbraw/zinc/58/81/60/449588160.db2.gz VLEAFNXZUNDYHB-UHFFFAOYSA-N 2 0 335.496 1.258 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602469258 449615683 /nfs/dbraw/zinc/61/56/83/449615683.db2.gz SHEHKLXMUUFHOR-IQMFZBJNSA-N 2 0 343.537 1.258 20 0 EDADRP COC(=O)c1[nH]c(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)cc1C ZINC000602543319 449663492 /nfs/dbraw/zinc/66/34/92/449663492.db2.gz APFIHGBMJRBQLZ-UHFFFAOYSA-N 2 0 336.480 1.473 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCCC[NH+]2CCC(C(=O)OC)CC2)CC[N@@H+]1C ZINC000600997546 449642859 /nfs/dbraw/zinc/64/28/59/449642859.db2.gz GODDMBFOOJNGFN-JKSUJKDBSA-N 2 0 339.480 1.108 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000617502267 449644225 /nfs/dbraw/zinc/64/42/25/449644225.db2.gz JENJYIAJUPNJSC-INIZCTEOSA-N 2 0 338.540 1.639 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617699713 449744312 /nfs/dbraw/zinc/74/43/12/449744312.db2.gz QSYTZTPLKIKZEP-RTBURBONSA-N 2 0 345.487 1.744 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617701136 449746451 /nfs/dbraw/zinc/74/64/51/449746451.db2.gz PVYYWDVUOQIOQW-GOSISDBHSA-N 2 0 333.476 1.601 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000601230012 449762445 /nfs/dbraw/zinc/76/24/45/449762445.db2.gz LCYDPKHCIWGKPK-IRXDYDNUSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601248581 449773292 /nfs/dbraw/zinc/77/32/92/449773292.db2.gz MIDFNIBLPYHJHO-INIZCTEOSA-N 2 0 340.512 1.254 20 0 EDADRP CS[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000602800825 449819156 /nfs/dbraw/zinc/81/91/56/449819156.db2.gz VQAJQKNAHDBGEV-GUDVDZBRSA-N 2 0 349.544 1.601 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000615085722 449946347 /nfs/dbraw/zinc/94/63/47/449946347.db2.gz IHBLMWCWDMABOY-CQSZACIVSA-N 2 0 328.416 1.660 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612966178 449961960 /nfs/dbraw/zinc/96/19/60/449961960.db2.gz NQMVBVGVSMHHOS-IRXDYDNUSA-N 2 0 330.476 1.601 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000612970974 449963559 /nfs/dbraw/zinc/96/35/59/449963559.db2.gz RIIGBQKJFYWXNE-OAHLLOKOSA-N 2 0 345.447 1.064 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985668 449971337 /nfs/dbraw/zinc/97/13/37/449971337.db2.gz MFJSPFZWAIGTJQ-ZBFHGGJFSA-N 2 0 336.480 1.023 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)C2)C1 ZINC000612997234 449977082 /nfs/dbraw/zinc/97/70/82/449977082.db2.gz VYSPINQVRQTAKO-LVQVYYBASA-N 2 0 336.480 1.056 20 0 EDADRP COC(=O)CNC(=O)CC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000609536579 450045246 /nfs/dbraw/zinc/04/52/46/450045246.db2.gz YWMPYVXEHUITLJ-UHFFFAOYSA-N 2 0 339.480 1.254 20 0 EDADRP C[NH+](C)CC1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000615510545 450119544 /nfs/dbraw/zinc/11/95/44/450119544.db2.gz MJYJDXMZCJQNPS-UHFFFAOYSA-N 2 0 344.503 1.609 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000619899837 450367557 /nfs/dbraw/zinc/36/75/57/450367557.db2.gz PRUXXHGSXZWKJZ-HKUYNNGSSA-N 2 0 331.460 1.224 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000620482922 450501197 /nfs/dbraw/zinc/50/11/97/450501197.db2.gz VJFGYGSZLOXHQR-GOSISDBHSA-N 2 0 331.460 1.419 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1(C)C ZINC000623351586 450503170 /nfs/dbraw/zinc/50/31/70/450503170.db2.gz WTBRFHBFEANWPP-AWEZNQCLSA-N 2 0 325.478 1.339 20 0 EDADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)ncc1Br ZINC000623428540 450520821 /nfs/dbraw/zinc/52/08/21/450520821.db2.gz OELNNBFKICBDHM-UHFFFAOYSA-N 2 0 328.254 1.699 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCOCC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625975881 450547121 /nfs/dbraw/zinc/54/71/21/450547121.db2.gz CBMSBYCOTGISAK-FAZHARAESA-N 2 0 328.497 1.806 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626046301 450561825 /nfs/dbraw/zinc/56/18/25/450561825.db2.gz YDGQCDDAKXHBQX-GDAAHCPNSA-N 2 0 345.487 1.468 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000633028386 450623901 /nfs/dbraw/zinc/62/39/01/450623901.db2.gz ZCZVSYHQTVSJRA-UKRRQHHQSA-N 2 0 332.448 1.048 20 0 EDADRP [NH3+]CCCOCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000629398111 450648895 /nfs/dbraw/zinc/64/88/95/450648895.db2.gz MPSJBVJQKIZLFW-UHFFFAOYSA-N 2 0 331.210 1.633 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000623966710 450654689 /nfs/dbraw/zinc/65/46/89/450654689.db2.gz MDADYMYFSQPAAC-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCCO1 ZINC000623999819 450666455 /nfs/dbraw/zinc/66/64/55/450666455.db2.gz DVEWHUTYJOJMFM-SJORKVTESA-N 2 0 325.497 1.330 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000631606335 450674498 /nfs/dbraw/zinc/67/44/98/450674498.db2.gz IDCBCAKAKKRLNW-UHFFFAOYSA-N 2 0 347.507 1.972 20 0 EDADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229705 450756141 /nfs/dbraw/zinc/75/61/41/450756141.db2.gz AJSWOAAFZSAVKX-DOIPELPJSA-N 2 0 343.515 1.943 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621642179 450806818 /nfs/dbraw/zinc/80/68/18/450806818.db2.gz HBHPOKOCVXVXMV-INIZCTEOSA-N 2 0 336.524 1.441 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1C[NH3+] ZINC000631839504 450808358 /nfs/dbraw/zinc/80/83/58/450808358.db2.gz HEDHGPGNTVDWSD-HZPDHXFCSA-N 2 0 348.466 1.391 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621649888 450813238 /nfs/dbraw/zinc/81/32/38/450813238.db2.gz QKHAXNXWKHLFIJ-ZDUSSCGKSA-N 2 0 332.448 1.565 20 0 EDADRP C[C@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000621651213 450814991 /nfs/dbraw/zinc/81/49/91/450814991.db2.gz ISVDMKXLKPWEEF-DLBZAZTESA-N 2 0 337.508 1.916 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000631860052 450830882 /nfs/dbraw/zinc/83/08/82/450830882.db2.gz GYPPBEDPELGUCF-HKUYNNGSSA-N 2 0 344.503 1.451 20 0 EDADRP Cn1c2cc(C[NH+]3CCC([C@H]4C[C@H]([NH3+])CCO4)CC3)ccc2oc1=O ZINC000631828186 450800457 /nfs/dbraw/zinc/80/04/57/450800457.db2.gz IAZKAHWUJSDYFI-CRAIPNDOSA-N 2 0 345.443 1.850 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](C[NH+]3CCCC3)c3ccccc3)C[C@H]21 ZINC000627655236 450871466 /nfs/dbraw/zinc/87/14/66/450871466.db2.gz ILVVKTCNHWLDPA-YRXWBPOGSA-N 2 0 327.472 1.884 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921101 450879862 /nfs/dbraw/zinc/87/98/62/450879862.db2.gz MZZSZPPGAJIXTK-IYBDPMFKSA-N 2 0 331.526 1.655 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629913651 450881208 /nfs/dbraw/zinc/88/12/08/450881208.db2.gz MKBDYUSSVATSIN-ZDUSSCGKSA-N 2 0 331.416 1.291 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631949163 450907992 /nfs/dbraw/zinc/90/79/92/450907992.db2.gz AVDYKEAEBMTEMM-KRWDZBQOSA-N 2 0 343.537 1.514 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)CC(C)(C)C ZINC000635444762 450946515 /nfs/dbraw/zinc/94/65/15/450946515.db2.gz UIIMYXLIOGRBEV-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1cccc(C[NH+](CC)CC)c1 ZINC000626866583 450969469 /nfs/dbraw/zinc/96/94/69/450969469.db2.gz YHBKIDKRQFUHSS-DLBZAZTESA-N 2 0 346.475 1.724 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000635492187 450987791 /nfs/dbraw/zinc/98/77/91/450987791.db2.gz VULYSSUHSZXICG-PKOBYXMFSA-N 2 0 344.503 1.433 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)[C@H]1COC(C)(C)C1 ZINC000624789350 451001604 /nfs/dbraw/zinc/00/16/04/451001604.db2.gz DJHUZWCHAPHDIX-OAHLLOKOSA-N 2 0 349.541 1.089 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626916392 451001865 /nfs/dbraw/zinc/00/18/65/451001865.db2.gz BQMDWPUVCCHGIS-SJORKVTESA-N 2 0 332.448 1.111 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000626923356 451007465 /nfs/dbraw/zinc/00/74/65/451007465.db2.gz RDAUSQKCGYWMDA-RLLQIKCJSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000626933113 451015454 /nfs/dbraw/zinc/01/54/54/451015454.db2.gz QJROEIASSYOFCI-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP [NH3+]C1(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000626934543 451016101 /nfs/dbraw/zinc/01/61/01/451016101.db2.gz HVQFRQLHCWAORG-UHFFFAOYSA-N 2 0 346.475 1.242 20 0 EDADRP CC[C@@H](CNC(=O)NCCOCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000626934753 451017325 /nfs/dbraw/zinc/01/73/25/451017325.db2.gz MZIVESGUHSFIQG-SFHVURJKSA-N 2 0 348.491 1.488 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626945204 451024527 /nfs/dbraw/zinc/02/45/27/451024527.db2.gz RZVCYJIYWUDVLJ-YSIASYRMSA-N 2 0 344.503 1.800 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)[NH+]1CCCC1 ZINC000635526830 451024608 /nfs/dbraw/zinc/02/46/08/451024608.db2.gz CTIFPYLEDLMOTI-ZOBUZTSGSA-N 2 0 346.475 1.963 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000626957474 451035021 /nfs/dbraw/zinc/03/50/21/451035021.db2.gz SLFDAXDSQNZQBO-QZTJIDSGSA-N 2 0 346.475 1.420 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000626969227 451040810 /nfs/dbraw/zinc/04/08/10/451040810.db2.gz RLYGKEZECMHURF-GBESFXJTSA-N 2 0 344.503 1.991 20 0 EDADRP Cc1cn2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc2n1 ZINC000635557183 451054091 /nfs/dbraw/zinc/05/40/91/451054091.db2.gz WTYSMHRLMYNAQL-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000626998407 451064182 /nfs/dbraw/zinc/06/41/82/451064182.db2.gz MNMKFBGFEXWCMU-WBVHZDCISA-N 2 0 334.464 1.314 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000626999071 451064667 /nfs/dbraw/zinc/06/46/67/451064667.db2.gz WFGMJIILLDHFNS-NVXWUHKLSA-N 2 0 346.475 1.457 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627001728 451066473 /nfs/dbraw/zinc/06/64/73/451066473.db2.gz KZJYYKACICMBNH-OAHLLOKOSA-N 2 0 326.485 1.162 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000627033346 451091533 /nfs/dbraw/zinc/09/15/33/451091533.db2.gz HKJXIHKYIYERHA-WBVHZDCISA-N 2 0 336.480 1.651 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000626980905 451049830 /nfs/dbraw/zinc/04/98/30/451049830.db2.gz WKHWMPWNMKCNIC-LUKYLMHMSA-N 2 0 340.512 1.563 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000627113008 451129529 /nfs/dbraw/zinc/12/95/29/451129529.db2.gz PKGYWFDYOZIFQB-UHFFFAOYSA-N 2 0 338.496 1.544 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[NH2+]C23CCC3)o1 ZINC000627133568 451143451 /nfs/dbraw/zinc/14/34/51/451143451.db2.gz FHZWHLARLLORND-MRXNPFEDSA-N 2 0 334.464 1.946 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635678146 451162075 /nfs/dbraw/zinc/16/20/75/451162075.db2.gz ZKHLVJAZKNCBAA-INIZCTEOSA-N 2 0 325.497 1.439 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CCCCCC1 ZINC000634047442 451165635 /nfs/dbraw/zinc/16/56/35/451165635.db2.gz GMJDDDZEXYCQJH-UHFFFAOYSA-N 2 0 331.464 1.965 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627214677 451191631 /nfs/dbraw/zinc/19/16/31/451191631.db2.gz WKLGCZRVJJKRSI-QGZVFWFLSA-N 2 0 334.464 1.268 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000627247455 451207410 /nfs/dbraw/zinc/20/74/10/451207410.db2.gz RMNKXLKUCRZCGZ-MRXNPFEDSA-N 2 0 332.448 1.274 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000638118998 451285794 /nfs/dbraw/zinc/28/57/94/451285794.db2.gz GLFDFKWKXHSXCQ-KSSFIOAISA-N 2 0 347.459 1.312 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085324 451250475 /nfs/dbraw/zinc/25/04/75/451250475.db2.gz XUCOKAUJJRIILV-KRXQYRFLSA-N 2 0 325.497 1.626 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC000638086184 451251654 /nfs/dbraw/zinc/25/16/54/451251654.db2.gz PTHNFDBXYVKFSW-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP [NH3+]C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCCOC1 ZINC000638088481 451254297 /nfs/dbraw/zinc/25/42/97/451254297.db2.gz GZHOUCKSLAUNMX-SFHVURJKSA-N 2 0 349.500 1.929 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638090224 451256429 /nfs/dbraw/zinc/25/64/29/451256429.db2.gz CKTAOJOPECHRMB-ZDUSSCGKSA-N 2 0 333.354 1.400 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638098645 451262485 /nfs/dbraw/zinc/26/24/85/451262485.db2.gz CFNVAPYBVOFYNR-DNVCBOLYSA-N 2 0 331.460 1.707 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(OC)c2)CC1 ZINC000638099462 451265806 /nfs/dbraw/zinc/26/58/06/451265806.db2.gz LUMNVKFVHNTWPD-QGZVFWFLSA-N 2 0 335.448 1.312 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638118192 451287272 /nfs/dbraw/zinc/28/72/72/451287272.db2.gz QOROXMICMHJFIF-PKOBYXMFSA-N 2 0 331.460 1.523 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)C3=CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000638112474 451280856 /nfs/dbraw/zinc/28/08/56/451280856.db2.gz MCRDSEXAPRVLPD-MRXNPFEDSA-N 2 0 335.492 1.964 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCCC[NH2+]1 ZINC000638115087 451283003 /nfs/dbraw/zinc/28/30/03/451283003.db2.gz PAPLDQKDFIRVSE-GOSISDBHSA-N 2 0 337.439 1.662 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000635853544 451300267 /nfs/dbraw/zinc/30/02/67/451300267.db2.gz IQDMSXHFOMHZAS-MOPGFXCFSA-N 2 0 345.487 1.878 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000638201623 451352567 /nfs/dbraw/zinc/35/25/67/451352567.db2.gz MVUAMEBSLGHKSN-MOPGFXCFSA-N 2 0 344.503 1.090 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636629139 451366022 /nfs/dbraw/zinc/36/60/22/451366022.db2.gz GQVUZUPOVNFAGE-OAGGEKHMSA-N 2 0 340.512 1.109 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000638232810 451371906 /nfs/dbraw/zinc/37/19/06/451371906.db2.gz DOMZXXDLZWIJKA-WDYCEAGBSA-N 2 0 331.460 1.521 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638271843 451390808 /nfs/dbraw/zinc/39/08/08/451390808.db2.gz DMZFJIDNIVLTHE-SFHVURJKSA-N 2 0 334.508 1.492 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)c2ccccc2)CC1 ZINC000638273385 451391997 /nfs/dbraw/zinc/39/19/97/451391997.db2.gz IHRNQUIUABEARK-QZTJIDSGSA-N 2 0 330.476 1.233 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638277547 451396035 /nfs/dbraw/zinc/39/60/35/451396035.db2.gz BVVXREAOQAKXMF-QGZVFWFLSA-N 2 0 327.513 1.168 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000638286751 451404434 /nfs/dbraw/zinc/40/44/34/451404434.db2.gz PWWFLGVDTCDFHP-FHWLQOOXSA-N 2 0 344.503 1.388 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000640562886 451408421 /nfs/dbraw/zinc/40/84/21/451408421.db2.gz KVXOIGFEWIMSKH-INIZCTEOSA-N 2 0 337.493 1.702 20 0 EDADRP C[C@@H](O)CN1CCN(C(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)C1 ZINC000640569116 451413671 /nfs/dbraw/zinc/41/36/71/451413671.db2.gz HPOQEHGJYKGKCK-UONOGXRCSA-N 2 0 335.452 1.062 20 0 EDADRP O=C(CCC1C[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000638302879 451417516 /nfs/dbraw/zinc/41/75/16/451417516.db2.gz LITMJCGAGKKTOC-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000630821410 451420567 /nfs/dbraw/zinc/42/05/67/451420567.db2.gz DNUBHIAWRXZXSF-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000638310255 451424633 /nfs/dbraw/zinc/42/46/33/451424633.db2.gz QCNCZEZCCJADJZ-HKUYNNGSSA-N 2 0 344.503 1.309 20 0 EDADRP CC(C)[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)N1CCOCC1 ZINC000638322363 451431695 /nfs/dbraw/zinc/43/16/95/451431695.db2.gz ZBTVWRAKNBYMBF-QGZVFWFLSA-N 2 0 327.513 1.168 20 0 EDADRP C[N@H+](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)CC(C)(C)C ZINC000638346302 451449209 /nfs/dbraw/zinc/44/92/09/451449209.db2.gz HSBNHPQGAGIQAL-CVEARBPZSA-N 2 0 325.497 1.709 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638370421 451469301 /nfs/dbraw/zinc/46/93/01/451469301.db2.gz JTXCTSFIBFYALJ-HNNXBMFYSA-N 2 0 326.448 1.344 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638377655 451473477 /nfs/dbraw/zinc/47/34/77/451473477.db2.gz QYEVKDWENONMIL-LLVKDONJSA-N 2 0 344.410 1.164 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634700740 451474345 /nfs/dbraw/zinc/47/43/45/451474345.db2.gz DWXSJECMIFUVCB-HXUWFJFHSA-N 2 0 331.504 1.945 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638384965 451478112 /nfs/dbraw/zinc/47/81/12/451478112.db2.gz GWAGDLJEUYNPOF-LJQANCHMSA-N 2 0 340.471 1.482 20 0 EDADRP C[C@@](O)(C[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000634709551 451488040 /nfs/dbraw/zinc/48/80/40/451488040.db2.gz KUDSFDXVXFNFCB-RBUKOAKNSA-N 2 0 333.476 1.800 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634709778 451488169 /nfs/dbraw/zinc/48/81/69/451488169.db2.gz OAMILUNWFOJLNE-SJORKVTESA-N 2 0 328.497 1.237 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000638403020 451490596 /nfs/dbraw/zinc/49/05/96/451490596.db2.gz QCZBGMGTHDJHNJ-SJLPKXTDSA-N 2 0 331.460 1.933 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000638402399 451491121 /nfs/dbraw/zinc/49/11/21/451491121.db2.gz LTPSIAVKQLUAIQ-WBVHZDCISA-N 2 0 333.476 1.802 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCOCC1 ZINC000634712758 451492213 /nfs/dbraw/zinc/49/22/13/451492213.db2.gz LHCRPRXZFBZKPM-MOPGFXCFSA-N 2 0 348.487 1.391 20 0 EDADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638344427 451447601 /nfs/dbraw/zinc/44/76/01/451447601.db2.gz QVYQMVLHBBHVGJ-ICSRJNTNSA-N 2 0 345.487 1.593 20 0 EDADRP O[C@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000634719368 451500004 /nfs/dbraw/zinc/50/00/04/451500004.db2.gz SNJCJCDNQJLEEH-UXHICEINSA-N 2 0 347.503 1.060 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000638423577 451507077 /nfs/dbraw/zinc/50/70/77/451507077.db2.gz ZMWMHXZGHUGDBO-INIZCTEOSA-N 2 0 340.439 1.390 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000638526178 451558892 /nfs/dbraw/zinc/55/88/92/451558892.db2.gz GKRRQTAIWIJRCW-APWZRJJASA-N 2 0 344.459 1.306 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cc(C2CC[NH2+]CC2)no1 ZINC000638529248 451561510 /nfs/dbraw/zinc/56/15/10/451561510.db2.gz MMINKBGSTGTLIG-DOTOQJQBSA-N 2 0 340.427 1.627 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[C@@H]1C(F)(F)F ZINC000638547403 451571117 /nfs/dbraw/zinc/57/11/17/451571117.db2.gz JIFMFUNZKKUKTG-KBPBESRZSA-N 2 0 341.377 1.468 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638548141 451571463 /nfs/dbraw/zinc/57/14/63/451571463.db2.gz BHYHREZMJNGETJ-QGZVFWFLSA-N 3 0 340.556 1.085 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638559322 451576752 /nfs/dbraw/zinc/57/67/52/451576752.db2.gz PTAGFQAZNUCHLR-BNOWGMLFSA-N 2 0 329.366 1.981 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638560159 451576820 /nfs/dbraw/zinc/57/68/20/451576820.db2.gz CZZRXNOCZAACGO-SCRDCRAPSA-N 2 0 337.386 1.131 20 0 EDADRP C[NH2+]CCOCCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000638578876 451587184 /nfs/dbraw/zinc/58/71/84/451587184.db2.gz UJEMOPXKLGITLW-UHFFFAOYSA-N 2 0 348.491 1.183 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638618170 451611688 /nfs/dbraw/zinc/61/16/88/451611688.db2.gz LKERQKJBXXVHGT-RDJZCZTQSA-N 2 0 335.423 1.142 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000638616651 451610661 /nfs/dbraw/zinc/61/06/61/451610661.db2.gz SOLQNUBDEXMISP-QFBILLFUSA-N 2 0 345.487 1.434 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(-n3cncn3)cc2)CC1 ZINC000638566307 451579775 /nfs/dbraw/zinc/57/97/75/451579775.db2.gz GYROOIAAPBCGCA-UHFFFAOYSA-N 2 0 329.448 1.592 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[NH2+]1 ZINC000638640445 451627069 /nfs/dbraw/zinc/62/70/69/451627069.db2.gz BNYDOHCANKIIFO-YJBOKZPZSA-N 2 0 330.476 1.304 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[NH2+]1 ZINC000638643546 451627868 /nfs/dbraw/zinc/62/78/68/451627868.db2.gz LRVAZMJUDWBVLD-ROUUACIJSA-N 2 0 344.503 1.846 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638672412 451642951 /nfs/dbraw/zinc/64/29/51/451642951.db2.gz YGKKTOQXTBKVAW-AWEZNQCLSA-N 2 0 329.322 1.649 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)c1 ZINC000638673789 451645008 /nfs/dbraw/zinc/64/50/08/451645008.db2.gz NWHPOJYLBBPCNY-KRWDZBQOSA-N 2 0 341.411 1.686 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cn1 ZINC000632917621 451649844 /nfs/dbraw/zinc/64/98/44/451649844.db2.gz LWMFAAQOSXQHEY-INIZCTEOSA-N 2 0 344.463 1.526 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638692794 451655771 /nfs/dbraw/zinc/65/57/71/451655771.db2.gz MASFBOKASAKQOZ-UHFFFAOYSA-N 2 0 325.478 1.546 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638766925 451684416 /nfs/dbraw/zinc/68/44/16/451684416.db2.gz ZINGCAKVZCDOLN-WOGUSJMUSA-N 2 0 343.471 1.392 20 0 EDADRP [NH3+][C@H](CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000638879292 451717656 /nfs/dbraw/zinc/71/76/56/451717656.db2.gz GIAMHPSRRZWNHM-HIFRSBDPSA-N 2 0 329.366 1.605 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638783705 451690124 /nfs/dbraw/zinc/69/01/24/451690124.db2.gz OMCGVSYKKXFJIA-AEFFLSMTSA-N 2 0 331.460 1.612 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000638785674 451691492 /nfs/dbraw/zinc/69/14/92/451691492.db2.gz XWEFAKXACVYXSY-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000638818657 451700545 /nfs/dbraw/zinc/70/05/45/451700545.db2.gz DNVIBSMFJWMDTG-GOSISDBHSA-N 2 0 344.503 1.929 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCN2CC[NH+](CC)CC2)[C@]12CCCO2 ZINC000638854467 451712009 /nfs/dbraw/zinc/71/20/09/451712009.db2.gz VOWSKZCGGVVUFX-RCCFBDPRSA-N 2 0 325.497 1.330 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000641032057 451735763 /nfs/dbraw/zinc/73/57/63/451735763.db2.gz GHIXNODSGZPZAI-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCCC[NH+]3CCCC3)cn2)CC1 ZINC000636493158 451736017 /nfs/dbraw/zinc/73/60/17/451736017.db2.gz MKTKODHVPZVNGM-UHFFFAOYSA-N 2 0 334.468 1.757 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000638925441 451737536 /nfs/dbraw/zinc/73/75/36/451737536.db2.gz MQYIXDCBCNZCQR-HDICACEKSA-N 2 0 342.487 1.470 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985185 451746859 /nfs/dbraw/zinc/74/68/59/451746859.db2.gz BNHQTHJHYQDKKW-INIZCTEOSA-N 2 0 331.464 1.727 20 0 EDADRP CC(C)[C@H]1CN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC[N@@H+]1C ZINC000639018395 451752617 /nfs/dbraw/zinc/75/26/17/451752617.db2.gz HRTDUIRWUKEZAL-GOEBONIOSA-N 2 0 334.468 1.005 20 0 EDADRP [NH3+][C@@H](CO)Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179552 451770668 /nfs/dbraw/zinc/77/06/68/451770668.db2.gz OQWNCNWXPULQBY-QGZVFWFLSA-N 2 0 329.448 1.174 20 0 EDADRP C[NH+](C)CCc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230074 451791217 /nfs/dbraw/zinc/79/12/17/451791217.db2.gz OXLVJKNDXFFIED-GOSISDBHSA-N 2 0 329.448 1.019 20 0 EDADRP COc1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)sn1 ZINC000639261478 451800191 /nfs/dbraw/zinc/80/01/91/451800191.db2.gz OLCSZTYYDMQKJW-UHFFFAOYSA-N 2 0 340.493 1.038 20 0 EDADRP C[NH+](C)C1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000639274030 451802109 /nfs/dbraw/zinc/80/21/09/451802109.db2.gz AYNPRJVPRUMIQB-UHFFFAOYSA-N 2 0 331.526 1.699 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000653272021 451807546 /nfs/dbraw/zinc/80/75/46/451807546.db2.gz VOOCMDFKXPTMOL-GOSISDBHSA-N 2 0 330.476 1.800 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCC(C)([NH3+])CC2)CCCCCC1 ZINC000642220485 451840090 /nfs/dbraw/zinc/84/00/90/451840090.db2.gz IMPHHEDHPHIFKD-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)[C@H]1C[NH3+] ZINC000646770924 451831631 /nfs/dbraw/zinc/83/16/31/451831631.db2.gz FWSRQTSPBORJFC-NJAFHUGGSA-N 2 0 330.476 1.879 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000649102981 451845726 /nfs/dbraw/zinc/84/57/26/451845726.db2.gz SLYWHUOLMVKKEU-QRQLOZEOSA-N 2 0 345.487 1.416 20 0 EDADRP CCCc1nc(C)c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000644542898 451852265 /nfs/dbraw/zinc/85/22/65/451852265.db2.gz BTNVTNPWJSQWJZ-UHFFFAOYSA-N 2 0 339.484 1.570 20 0 EDADRP CC(C)COC[C@@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543684 451852433 /nfs/dbraw/zinc/85/24/33/451852433.db2.gz NIGDYTMQLNDPJG-VQTJNVASSA-N 2 0 349.519 1.598 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000642440143 451879418 /nfs/dbraw/zinc/87/94/18/451879418.db2.gz XCSJBHOFWIWIOK-YOEHRIQHSA-N 2 0 346.475 1.313 20 0 EDADRP CC1(OCC(=O)NCc2ccccc2C[NH+]2CCCCC2)C[NH2+]C1 ZINC000649282203 451953784 /nfs/dbraw/zinc/95/37/84/451953784.db2.gz NJTUXUWNVOSJMU-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]2(N)CC[N@H+](C)C2)cc1 ZINC000649284908 451957445 /nfs/dbraw/zinc/95/74/45/451957445.db2.gz LDTSTUHANLMUGU-SFHVURJKSA-N 2 0 334.464 1.379 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)cnn1C ZINC000649292849 451969208 /nfs/dbraw/zinc/96/92/08/451969208.db2.gz GOJSHPJHDZLEOI-NONVJHHQSA-N 2 0 347.507 1.411 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649293763 451969715 /nfs/dbraw/zinc/96/97/15/451969715.db2.gz IJHSEKJTUBBWGJ-ROUUACIJSA-N 2 0 331.460 1.566 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649303235 451979708 /nfs/dbraw/zinc/97/97/08/451979708.db2.gz LJCCPVUVSLMROZ-OAHLLOKOSA-N 2 0 334.468 1.005 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)c1 ZINC000649306279 451983948 /nfs/dbraw/zinc/98/39/48/451983948.db2.gz JUCRMFZWVWDWEQ-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000649312352 451989285 /nfs/dbraw/zinc/98/92/85/451989285.db2.gz JGOUUWHWPZURQG-MHORFTMASA-N 2 0 336.524 1.378 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000649313277 451991108 /nfs/dbraw/zinc/99/11/08/451991108.db2.gz XHNPBKZZAONCIU-HNNXBMFYSA-N 2 0 328.420 1.169 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319140 451997380 /nfs/dbraw/zinc/99/73/80/451997380.db2.gz KGQDQPBQIGWPSJ-RKVPGOIHSA-N 2 0 341.415 1.738 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000649321321 452000268 /nfs/dbraw/zinc/00/02/68/452000268.db2.gz TZAKVHRFSOBZRP-ZWKOTPCHSA-N 2 0 331.460 1.120 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649332273 452012837 /nfs/dbraw/zinc/01/28/37/452012837.db2.gz LTKVEKSDJGKNFU-OIISXLGYSA-N 2 0 342.443 1.201 20 0 EDADRP Cc1ccc(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)c(C[NH+](C)C)c1 ZINC000649334778 452016162 /nfs/dbraw/zinc/01/61/62/452016162.db2.gz KZSXTUTXTYXRHT-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP Cc1cc(NC(=O)[C@]2(N)CC[N@@H+](C)C2)ccc1OCC[NH+]1CCCC1 ZINC000649336265 452016764 /nfs/dbraw/zinc/01/67/64/452016764.db2.gz ORFJGYHHAYDLTJ-IBGZPJMESA-N 2 0 346.475 1.441 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649336614 452017953 /nfs/dbraw/zinc/01/79/53/452017953.db2.gz IGLXAZDOWVHVJS-XZVLQNKUSA-N 2 0 327.472 1.725 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3C[NH2+]CCOC3)CC2)CC1 ZINC000649344657 452024998 /nfs/dbraw/zinc/02/49/98/452024998.db2.gz KTJIFZZRSYYADE-LXPRWKDFSA-N 2 0 337.508 1.581 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[NH+](C)C1 ZINC000649345412 452026044 /nfs/dbraw/zinc/02/60/44/452026044.db2.gz ZNPKJQKNNMBQKA-ICSRJNTNSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345708 452026879 /nfs/dbraw/zinc/02/68/79/452026879.db2.gz LSBROGBIBFNFSJ-BEFAXECRSA-N 2 0 346.475 1.379 20 0 EDADRP CCCN(C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000647049738 452029571 /nfs/dbraw/zinc/02/95/71/452029571.db2.gz ZUMRUXZMJNSNMK-HUUCEWRRSA-N 2 0 340.512 1.022 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856031 452030961 /nfs/dbraw/zinc/03/09/61/452030961.db2.gz HEQCFMKZCMWKOD-ROUUACIJSA-N 2 0 344.503 1.986 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000649352704 452037452 /nfs/dbraw/zinc/03/74/52/452037452.db2.gz GHJUHUKBZFQWCR-IRXDYDNUSA-N 2 0 336.524 1.428 20 0 EDADRP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[C@H]1[NH3+] ZINC000649359391 452040901 /nfs/dbraw/zinc/04/09/01/452040901.db2.gz WMMAZDRECFPSEX-IAGOWNOFSA-N 2 0 345.491 1.180 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)o1 ZINC000647096716 452057628 /nfs/dbraw/zinc/05/76/28/452057628.db2.gz MMPBEIFRFXXLDV-JKSUJKDBSA-N 2 0 345.447 1.422 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649414520 452075845 /nfs/dbraw/zinc/07/58/45/452075845.db2.gz FAEVRBNNUOGRFO-OALUTQOASA-N 2 0 346.519 1.449 20 0 EDADRP [NH3+]C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)CC1 ZINC000637797881 452087800 /nfs/dbraw/zinc/08/78/00/452087800.db2.gz GVMLUHWSSDDAMH-ICSRJNTNSA-N 2 0 343.471 1.475 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637805636 452092196 /nfs/dbraw/zinc/09/21/96/452092196.db2.gz BSXBJTDIWVLZKA-KBXCAEBGSA-N 2 0 331.460 1.662 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637816647 452098580 /nfs/dbraw/zinc/09/85/80/452098580.db2.gz JXRRYRIMZZTQFM-MRXNPFEDSA-N 2 0 330.476 1.190 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769396 452112538 /nfs/dbraw/zinc/11/25/38/452112538.db2.gz YHRXITBDHXEVEC-PXNSSMCTSA-N 2 0 345.487 1.537 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000637864662 452122281 /nfs/dbraw/zinc/12/22/81/452122281.db2.gz PANVMPGLCUXAFG-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000641603532 452122920 /nfs/dbraw/zinc/12/29/20/452122920.db2.gz MLJDEBZEZVSWMX-UHFFFAOYSA-N 2 0 345.447 1.232 20 0 EDADRP CO[C@@H](C[NH+]1CCN(CC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000637870374 452126443 /nfs/dbraw/zinc/12/64/43/452126443.db2.gz RVJIYHTYJJNNEX-SFHVURJKSA-N 2 0 325.497 1.141 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218368 452130595 /nfs/dbraw/zinc/13/05/95/452130595.db2.gz JAQRCGIQPPNXMV-RDTXWAMCSA-N 2 0 331.460 1.651 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCCC[C@H]1[C@H](C)C[NH+](C)C ZINC000641624843 452145159 /nfs/dbraw/zinc/14/51/59/452145159.db2.gz OTSJFHYDWZYTGH-CVEARBPZSA-N 2 0 333.542 1.710 20 0 EDADRP Cc1cc(CNC(=O)[C@H](C)[NH+](C)C)cc(NC(=O)[C@H](C)[NH+](C)C)c1 ZINC000653957700 452185000 /nfs/dbraw/zinc/18/50/00/452185000.db2.gz IWRIOLVIFWSZQY-KBPBESRZSA-N 2 0 334.464 1.450 20 0 EDADRP Cc1[nH]c2ncnc(NC3CC[NH+](CC(=O)N(C)C)CC3)c2c1C ZINC000645167328 452190368 /nfs/dbraw/zinc/19/03/68/452190368.db2.gz HCMKKMIBUWIIMJ-UHFFFAOYSA-N 2 0 330.436 1.539 20 0 EDADRP C[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000645200817 452207552 /nfs/dbraw/zinc/20/75/52/452207552.db2.gz HWMHSFNXXLUIEQ-RHSMWYFYSA-N 2 0 344.507 1.400 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000637967488 452212723 /nfs/dbraw/zinc/21/27/23/452212723.db2.gz SDOUHQSMAONJMM-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccc3cnccc32)C1)N1CC[NH2+]CC1 ZINC000647486452 452230415 /nfs/dbraw/zinc/23/04/15/452230415.db2.gz REOLXYBNCQKYLG-SFHVURJKSA-N 2 0 338.455 1.879 20 0 EDADRP O=C([C@@H]1CCC[N@H+](C[C@H]2CCOc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486373 452231178 /nfs/dbraw/zinc/23/11/78/452231178.db2.gz IZDKQLYCNCOIAQ-IAGOWNOFSA-N 2 0 343.471 1.697 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(OCc2ccccn2)c1 ZINC000647492840 452236555 /nfs/dbraw/zinc/23/65/55/452236555.db2.gz CQHWOXBCVZFGJP-UHFFFAOYSA-N 2 0 340.471 1.998 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)cn2)CC1 ZINC000655467503 452260136 /nfs/dbraw/zinc/26/01/36/452260136.db2.gz XGOOJPBCXNYTKO-MAUKXSAKSA-N 2 0 329.448 1.162 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000643500003 452269280 /nfs/dbraw/zinc/26/92/80/452269280.db2.gz CXOQPMOJIVFYLH-VIFPVBQESA-N 2 0 332.267 1.593 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000655480496 452277480 /nfs/dbraw/zinc/27/74/80/452277480.db2.gz XCZCBHFVCURVKB-HIFRSBDPSA-N 2 0 346.406 1.965 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CN1CCOc1ccccc1 ZINC000647550262 452278000 /nfs/dbraw/zinc/27/80/00/452278000.db2.gz IJGARRGXYFMXPL-XDNAFOTISA-N 2 0 343.471 1.644 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000659432932 452278441 /nfs/dbraw/zinc/27/84/41/452278441.db2.gz VIGUXPBPJMBGCA-QGZVFWFLSA-N 2 0 336.480 1.800 20 0 EDADRP Cc1ccc(C[N@H+](CC2CC2)C[C@H]2CCCN(C(=O)C[NH3+])C2)cn1 ZINC000647552495 452279588 /nfs/dbraw/zinc/27/95/88/452279588.db2.gz BRSSFGNEFCECHM-GOSISDBHSA-N 2 0 330.476 1.799 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659444635 452294036 /nfs/dbraw/zinc/29/40/36/452294036.db2.gz MNYLTOHDXVUGDT-HUUCEWRRSA-N 2 0 338.427 1.208 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CCO)CC1 ZINC000661495494 452296571 /nfs/dbraw/zinc/29/65/71/452296571.db2.gz VRKZINRDNMWPAU-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450921 452301058 /nfs/dbraw/zinc/30/10/58/452301058.db2.gz IIPNEKPNJOTDAN-RCCFBDPRSA-N 2 0 348.466 1.632 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N(C)CC(C)(C)[NH3+])CCCC2)CC1 ZINC000659453633 452303022 /nfs/dbraw/zinc/30/30/22/452303022.db2.gz XKTCIVUZRPIAHS-UHFFFAOYSA-N 2 0 340.512 1.789 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000659456805 452307296 /nfs/dbraw/zinc/30/72/96/452307296.db2.gz XMAXIGDEXNKTFH-GOEBONIOSA-N 2 0 326.485 1.160 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659456933 452308336 /nfs/dbraw/zinc/30/83/36/452308336.db2.gz UMXJSMZMMJARAK-NJAFHUGGSA-N 2 0 346.450 1.807 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000659455807 452308546 /nfs/dbraw/zinc/30/85/46/452308546.db2.gz DKFFIGGBYHPLLV-BRWVUGGUSA-N 2 0 342.528 1.796 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638049069 452316700 /nfs/dbraw/zinc/31/67/00/452316700.db2.gz TWTVRJVWZBLCDR-MRXNPFEDSA-N 2 0 344.459 1.744 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659467241 452323957 /nfs/dbraw/zinc/32/39/57/452323957.db2.gz VIWXACCTPFTIGM-HPBDAGMYSA-N 2 0 348.466 1.978 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659468626 452324998 /nfs/dbraw/zinc/32/49/98/452324998.db2.gz BZQQHNBGLBYOQX-RKTXRCNFSA-N 2 0 334.439 1.730 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000647593949 452330216 /nfs/dbraw/zinc/33/02/16/452330216.db2.gz YZXMBMKYEWTYOI-MGPQQGTHSA-N 2 0 338.452 1.021 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652137627 452332202 /nfs/dbraw/zinc/33/22/02/452332202.db2.gz RFLUJOFYAGTDFE-QKPAOTATSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@@]1(NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000663614718 452346679 /nfs/dbraw/zinc/34/66/79/452346679.db2.gz ZKHVSNODNSUIQX-LJQANCHMSA-N 2 0 344.459 1.132 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638059408 452347504 /nfs/dbraw/zinc/34/75/04/452347504.db2.gz GAQYOMROWTWXNA-VBQJREDUSA-N 2 0 335.448 1.311 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C[C@H](C)O1 ZINC000638062916 452357711 /nfs/dbraw/zinc/35/77/11/452357711.db2.gz JYQOHXZHIZTWOK-IHETXDGRSA-N 2 0 347.459 1.028 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663630135 452370020 /nfs/dbraw/zinc/37/00/20/452370020.db2.gz NAMQATVRHZKNOY-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP COC[C@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCCC[NH2+]1 ZINC000638068133 452371277 /nfs/dbraw/zinc/37/12/77/452371277.db2.gz VKCLNEYEZLXTTH-AEFFLSMTSA-N 2 0 325.497 1.916 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000659505958 452371641 /nfs/dbraw/zinc/37/16/41/452371641.db2.gz VNZBODKWIHLMTL-IAGOWNOFSA-N 2 0 334.464 1.440 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000638070497 452378782 /nfs/dbraw/zinc/37/87/82/452378782.db2.gz YVCGQNBHZZWLSY-MPGHIAIKSA-N 2 0 333.476 1.802 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000659516274 452379399 /nfs/dbraw/zinc/37/93/99/452379399.db2.gz HPOOZJPZSRASHU-NJAFHUGGSA-N 2 0 346.475 1.582 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659519759 452381653 /nfs/dbraw/zinc/38/16/53/452381653.db2.gz LBEATDBELBRHBY-IAGOWNOFSA-N 2 0 332.448 1.239 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000638076249 452390319 /nfs/dbraw/zinc/39/03/19/452390319.db2.gz XGVCJMHXEWFIOL-LEUOFYLZSA-N 2 0 331.460 1.662 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659537601 452397693 /nfs/dbraw/zinc/39/76/93/452397693.db2.gz SWMDMRZYEVBFNZ-QAPCUYQASA-N 2 0 345.491 1.591 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@H]1CCC[NH2+]C1 ZINC000652202452 452401802 /nfs/dbraw/zinc/40/18/02/452401802.db2.gz KGUFVVVCSKSHMY-VIQHNZTISA-N 2 0 338.496 1.302 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659551572 452407305 /nfs/dbraw/zinc/40/73/05/452407305.db2.gz VIXVSJXNGRVCGU-KVQFHVITSA-N 2 0 326.391 1.445 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[N@H+](C)C(C)(C)C3)n2)CC1 ZINC000640089231 452415631 /nfs/dbraw/zinc/41/56/31/452415631.db2.gz RJLWOKOYTXOFSN-UHFFFAOYSA-N 2 0 334.468 1.708 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)nc2)CC1 ZINC000655604757 452426523 /nfs/dbraw/zinc/42/65/23/452426523.db2.gz AREPGHFUMRZJSE-QAPCUYQASA-N 2 0 329.448 1.162 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1CCOC ZINC000659573436 452429190 /nfs/dbraw/zinc/42/91/90/452429190.db2.gz NOAPOJWUEQKWRR-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[C@H]1c1ccc(F)cc1 ZINC000659575663 452430847 /nfs/dbraw/zinc/43/08/47/452430847.db2.gz SSDMYUYLCXHTJY-JKSUJKDBSA-N 2 0 334.439 1.923 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659589352 452444826 /nfs/dbraw/zinc/44/48/26/452444826.db2.gz OQQPYXSRNVKOBC-DKIMLUQUSA-N 2 0 346.450 1.665 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000663715238 452452117 /nfs/dbraw/zinc/45/21/17/452452117.db2.gz DJIMHJZUFIOZRB-YESZJQIVSA-N 2 0 339.528 1.184 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)ncn3)CC[C@@H]21 ZINC000663720243 452458037 /nfs/dbraw/zinc/45/80/37/452458037.db2.gz HLJZEHVOTGBVNL-CVEARBPZSA-N 2 0 345.491 1.748 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000654433089 452492058 /nfs/dbraw/zinc/49/20/58/452492058.db2.gz UFROKXVWTDZEKP-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659634425 452496962 /nfs/dbraw/zinc/49/69/62/452496962.db2.gz KUSXSIWBSYZAPD-QGZVFWFLSA-N 2 0 347.507 1.054 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@H]2COC[C@]2(C)C1)c1ccccc1 ZINC000661698843 452503117 /nfs/dbraw/zinc/50/31/17/452503117.db2.gz BELMZKGHXMPXSA-SCTDSRPQSA-N 2 0 331.460 1.374 20 0 EDADRP O[C@]12C[C@H]1C[NH+](Cc1cccc(C[N@@H+]3CC[C@@]4(O)C[C@H]4C3)c1)CC2 ZINC000661719056 452527033 /nfs/dbraw/zinc/52/70/33/452527033.db2.gz OZWDSRUBEOCYNA-VNTMZGSJSA-N 2 0 328.456 1.600 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccn1 ZINC000647794234 452527398 /nfs/dbraw/zinc/52/73/98/452527398.db2.gz VOFZDFZUHNPPKT-BVIKNXMNSA-N 2 0 328.460 1.550 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647796780 452528699 /nfs/dbraw/zinc/52/86/99/452528699.db2.gz NMDRTGQVZAGHOY-SOUVJXGZSA-N 2 0 327.428 1.650 20 0 EDADRP Cc1c(N(C)CC[NH+](C)C2CC2)ncnc1N(C)CC[N@H+](C)C1CC1 ZINC000663811028 452538970 /nfs/dbraw/zinc/53/89/70/452538970.db2.gz SLLPESSPUVURGK-UHFFFAOYSA-N 2 0 346.523 1.846 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659689176 452566430 /nfs/dbraw/zinc/56/64/30/452566430.db2.gz VSTVYURUCCQPCU-HZPDHXFCSA-N 2 0 340.512 1.247 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000657874214 452584032 /nfs/dbraw/zinc/58/40/32/452584032.db2.gz YKDHNNWHSVDMEI-SFHVURJKSA-N 2 0 327.513 1.435 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NCC[N@@H+]2CCCC2(C)C)ccn1 ZINC000654534399 452615736 /nfs/dbraw/zinc/61/57/36/452615736.db2.gz WERJQTHHEKRCNU-UHFFFAOYSA-N 2 0 334.464 1.626 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000647905657 452646306 /nfs/dbraw/zinc/64/63/06/452646306.db2.gz IOLKOWSYPCMPOR-QZTJIDSGSA-N 3 0 336.524 1.346 20 0 EDADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)CC1 ZINC000647924947 452661588 /nfs/dbraw/zinc/66/15/88/452661588.db2.gz XYZCRCAVJMSLAB-UHFFFAOYSA-N 2 0 338.839 1.581 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655911443 452668046 /nfs/dbraw/zinc/66/80/46/452668046.db2.gz JJHDBRWRVMFZJF-KBPBESRZSA-N 2 0 344.381 1.840 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655919994 452682478 /nfs/dbraw/zinc/68/24/78/452682478.db2.gz RNEZTPBZAFZRIA-KBPBESRZSA-N 2 0 344.381 1.792 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655922949 452685671 /nfs/dbraw/zinc/68/56/71/452685671.db2.gz VKBSVHUBXQHNDR-LLVKDONJSA-N 2 0 338.399 1.711 20 0 EDADRP C[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000647990203 452733238 /nfs/dbraw/zinc/73/32/38/452733238.db2.gz FOBRHBONYLNBEG-OAHLLOKOSA-N 2 0 343.479 1.415 20 0 EDADRP CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664032851 452733179 /nfs/dbraw/zinc/73/31/79/452733179.db2.gz CUPQUOWPLBXXSI-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H]1CCOC1 ZINC000659862987 452741822 /nfs/dbraw/zinc/74/18/22/452741822.db2.gz HELSXCVFZHLTFK-AKHDSKFASA-N 2 0 339.524 1.528 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000659878537 452754547 /nfs/dbraw/zinc/75/45/47/452754547.db2.gz LUWRNBCNICBSMR-QZTJIDSGSA-N 2 0 338.540 1.450 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648036330 452774131 /nfs/dbraw/zinc/77/41/31/452774131.db2.gz FSLOAPQBKQUMFG-HNNXBMFYSA-N 2 0 344.463 1.440 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648048952 452783598 /nfs/dbraw/zinc/78/35/98/452783598.db2.gz SEOXKPFYWNSGAW-HZPDHXFCSA-N 2 0 334.489 1.115 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CN(CC[NH+](C)C)C(=O)[C@H]1C ZINC000648065973 452797639 /nfs/dbraw/zinc/79/76/39/452797639.db2.gz UQHFFAPMWLIVAR-OAHLLOKOSA-N 2 0 342.447 1.128 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000652644806 452801987 /nfs/dbraw/zinc/80/19/87/452801987.db2.gz JCMOHUKCEFCDAA-AWEZNQCLSA-N 2 0 332.448 1.589 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648117416 452832890 /nfs/dbraw/zinc/83/28/90/452832890.db2.gz ZJIVLHOAJXOAQT-RBSFLKMASA-N 2 0 336.505 1.730 20 0 EDADRP CC(C)NC(=O)NCC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000645842354 452842456 /nfs/dbraw/zinc/84/24/56/452842456.db2.gz JHLFUDYLEPEYCP-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654730944 452849197 /nfs/dbraw/zinc/84/91/97/452849197.db2.gz ZKTQTYFXDLPPMC-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP c1cnc2c(n1)CCN(CCCCC[N@@H+]1CCc3nccnc3C1)C2 ZINC000662123113 452860493 /nfs/dbraw/zinc/86/04/93/452860493.db2.gz XEQSHOWRFNUDHT-UHFFFAOYSA-N 2 0 338.459 1.853 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000652708145 452860839 /nfs/dbraw/zinc/86/08/39/452860839.db2.gz NALQFGZCZCXETA-MRXNPFEDSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1cc(Br)cnn1 ZINC000664194474 452866544 /nfs/dbraw/zinc/86/65/44/452866544.db2.gz DZFOXGUENCROPB-NSHDSACASA-N 2 0 330.274 1.923 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654736996 452867701 /nfs/dbraw/zinc/86/77/01/452867701.db2.gz GVJSTUSCDFTTRZ-QBPKDAKJSA-N 2 0 338.496 1.100 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000648159983 452869950 /nfs/dbraw/zinc/86/99/50/452869950.db2.gz IVQFFLMLYBLCIL-ZWKOTPCHSA-N 2 0 337.508 1.712 20 0 EDADRP COCCC1(C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CC[NH2+]CC1 ZINC000648178558 452891863 /nfs/dbraw/zinc/89/18/63/452891863.db2.gz SRWSCXJDMWQMMZ-INIZCTEOSA-N 2 0 337.508 1.629 20 0 EDADRP [NH3+]C1(CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC1 ZINC000645935880 452912990 /nfs/dbraw/zinc/91/29/90/452912990.db2.gz HYEYUNHHPJEELR-UHFFFAOYSA-N 2 0 331.460 1.531 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(CCOCc2ccccc2)CC1 ZINC000660013148 452922797 /nfs/dbraw/zinc/92/27/97/452922797.db2.gz PCBUJBZZQLQMAN-SFHVURJKSA-N 2 0 331.460 1.442 20 0 EDADRP COc1cc(OC)c2ncnc(NCCN(C)CCC[NH+](C)C)c2c1 ZINC000664248087 452928075 /nfs/dbraw/zinc/92/80/75/452928075.db2.gz NWFSXOZKVKXLMD-UHFFFAOYSA-N 2 0 347.463 1.942 20 0 EDADRP COc1cccc2c1OCC[C@H]2[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656194184 452953830 /nfs/dbraw/zinc/95/38/30/452953830.db2.gz BZGPCCUBLPDZHR-DZGCQCFKSA-N 2 0 333.432 1.306 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCN2CCC(C(=O)NCC[NH+](C)C)CC2)C1 ZINC000660054990 452968981 /nfs/dbraw/zinc/96/89/81/452968981.db2.gz ATICNMTYTHWXFV-IRXDYDNUSA-N 2 0 338.540 1.354 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(CCc2cn[nH]n2)CC1 ZINC000660075758 452990837 /nfs/dbraw/zinc/99/08/37/452990837.db2.gz CAHARAVTFPGKGD-UHFFFAOYSA-N 2 0 344.463 1.110 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@]3(CCN(C[C@@H]4C[NH2+]CCO4)C3)C2)cc1 ZINC000662264116 452994399 /nfs/dbraw/zinc/99/43/99/452994399.db2.gz RIDLQUUSOTZOGW-PMACEKPBSA-N 2 0 329.488 1.963 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)C1 ZINC000646002967 452997685 /nfs/dbraw/zinc/99/76/85/452997685.db2.gz LRRQKGCHXKEMRG-QZTJIDSGSA-N 2 0 336.524 1.523 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)c1ccccc1 ZINC000666599640 452999650 /nfs/dbraw/zinc/99/96/50/452999650.db2.gz UPLDXMRAJWAKSO-QGZVFWFLSA-N 2 0 340.427 1.503 20 0 EDADRP Cn1cc(N2CC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C2=O)cn1 ZINC000662292591 453016780 /nfs/dbraw/zinc/01/67/80/453016780.db2.gz OPDFKQMIRARRPD-NVXWUHKLSA-N 2 0 331.464 1.237 20 0 EDADRP O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296864 453019145 /nfs/dbraw/zinc/01/91/45/453019145.db2.gz NZHUAIIOUGTBOM-INIZCTEOSA-N 2 0 329.448 1.208 20 0 EDADRP O=C(C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3)NC1CC[NH+](C2CC2)CC1 ZINC000662317303 453032764 /nfs/dbraw/zinc/03/27/64/453032764.db2.gz PSQNEPLQNIIXOH-BGYRXZFFSA-N 2 0 347.503 1.622 20 0 EDADRP CC(C)COCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662339004 453056293 /nfs/dbraw/zinc/05/62/93/453056293.db2.gz ZCDMHVSGDZCIDP-MRXNPFEDSA-N 2 0 335.496 1.671 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644124762 453063036 /nfs/dbraw/zinc/06/30/36/453063036.db2.gz PJZVFSCXAXKCHL-OAHLLOKOSA-N 2 0 343.393 1.961 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000662348019 453063518 /nfs/dbraw/zinc/06/35/18/453063518.db2.gz PGNFGOZTNPTIOB-BBRMVZONSA-N 2 0 345.422 1.658 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000644195561 453122901 /nfs/dbraw/zinc/12/29/01/453122901.db2.gz CZYIWPAWEAWEPM-ZDUSSCGKSA-N 2 0 332.448 1.239 20 0 EDADRP C[C@@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[NH+]1CCC(C)CC1 ZINC000662416584 453126862 /nfs/dbraw/zinc/12/68/62/453126862.db2.gz DJNBRYCNJFFGTD-AWEZNQCLSA-N 2 0 334.464 1.992 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000662477486 453191453 /nfs/dbraw/zinc/19/14/53/453191453.db2.gz GSXUFFJMIVSLFH-OAHLLOKOSA-N 2 0 346.479 1.151 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000646186656 453200707 /nfs/dbraw/zinc/20/07/07/453200707.db2.gz DIJZKNQMZSGSMZ-JKSUJKDBSA-N 3 0 348.495 1.019 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000662485619 453203005 /nfs/dbraw/zinc/20/30/05/453203005.db2.gz HMOMQNGRXGOPIU-LSDHHAIUSA-N 2 0 327.856 1.811 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000660337770 453225775 /nfs/dbraw/zinc/22/57/75/453225775.db2.gz VXPWGGQABDWTCI-UHFFFAOYSA-N 2 0 344.503 1.897 20 0 EDADRP CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000646214274 453226110 /nfs/dbraw/zinc/22/61/10/453226110.db2.gz QWXNFUWGZASYDU-JKSUJKDBSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000653106917 453290014 /nfs/dbraw/zinc/29/00/14/453290014.db2.gz QJTARLQWOFPUBV-GOSISDBHSA-N 2 0 332.492 1.568 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000653108277 453291773 /nfs/dbraw/zinc/29/17/73/453291773.db2.gz QEQAOWOVLSMHLN-SFHVURJKSA-N 2 0 332.492 1.089 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC12CCOCC2 ZINC000662572002 453298572 /nfs/dbraw/zinc/29/85/72/453298572.db2.gz VNESRFGSYMWICC-RDJZCZTQSA-N 2 0 329.444 1.435 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)c1 ZINC000653112950 453299843 /nfs/dbraw/zinc/29/98/43/453299843.db2.gz NPGUVHJEZDTGBO-HKUYNNGSSA-N 2 0 331.460 1.379 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113448 453300965 /nfs/dbraw/zinc/30/09/65/453300965.db2.gz CCYXYUQOKPYGPJ-YJBOKZPZSA-N 2 0 349.500 1.312 20 0 EDADRP CO[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000662577000 453303949 /nfs/dbraw/zinc/30/39/49/453303949.db2.gz PKOJTFOHTCKWQQ-GOSISDBHSA-N 2 0 345.487 1.911 20 0 EDADRP O=C([C@@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000653153463 453341723 /nfs/dbraw/zinc/34/17/23/453341723.db2.gz PYADPHYNURKUPM-OALUTQOASA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000651195080 453345595 /nfs/dbraw/zinc/34/55/95/453345595.db2.gz AZKNZOCMRVISGK-MRXNPFEDSA-N 2 0 342.528 1.451 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000662658867 453370478 /nfs/dbraw/zinc/37/04/78/453370478.db2.gz KTWNLLDDULTLKY-LSDHHAIUSA-N 2 0 325.403 1.744 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(OC3CC3)c2F)CC1 ZINC000656708476 453384982 /nfs/dbraw/zinc/38/49/82/453384982.db2.gz NTBJUNJHWOVZCD-OAHLLOKOSA-N 2 0 337.439 1.065 20 0 EDADRP CC(C)(CNC(=O)[C@@H]1CCO[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662679874 453399352 /nfs/dbraw/zinc/39/93/52/453399352.db2.gz QQYKJRZKMQVQMY-SJORKVTESA-N 2 0 331.460 1.303 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662687007 453409167 /nfs/dbraw/zinc/40/91/67/453409167.db2.gz TWNIRIRESAALGT-UCMJJCQDSA-N 2 0 343.427 1.101 20 0 EDADRP [NH3+]CCOCC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662712061 453435974 /nfs/dbraw/zinc/43/59/74/453435974.db2.gz DPUROOVSWKBVKF-QGZVFWFLSA-N 2 0 331.460 1.380 20 0 EDADRP C[C@@H]1OC(C)(C)[NH2+][C@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148571 453439488 /nfs/dbraw/zinc/43/94/88/453439488.db2.gz CWAAYKJUVNMIAD-FZMZJTMJSA-N 2 0 330.392 1.502 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC[NH2+]C2CCCCCC2)cn1 ZINC000667156519 453445661 /nfs/dbraw/zinc/44/56/61/453445661.db2.gz QNNQCICSSLFAFD-UHFFFAOYSA-N 2 0 336.484 1.879 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)C1([NH2+]C2CC2)CCC1 ZINC000662731368 453456908 /nfs/dbraw/zinc/45/69/08/453456908.db2.gz DDLHAPFSVVISCD-UHFFFAOYSA-N 2 0 335.492 1.812 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000662743239 453471831 /nfs/dbraw/zinc/47/18/31/453471831.db2.gz LXEJPKYDMKGWOO-CRAIPNDOSA-N 2 0 338.496 1.001 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[C@@H]1c1cccs1 ZINC000662746962 453476643 /nfs/dbraw/zinc/47/66/43/453476643.db2.gz ZOGLBUYSGCOFTK-IXYNUQLISA-N 2 0 337.489 1.611 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662749923 453483104 /nfs/dbraw/zinc/48/31/04/453483104.db2.gz IKQYPQLUJACAPN-QRVBRYPASA-N 2 0 345.487 1.721 20 0 EDADRP CN1CCC(CNC(=O)C2([NH2+]C3CC3)CCC2)([NH+]2CCCCC2)CC1 ZINC000662758094 453496956 /nfs/dbraw/zinc/49/69/56/453496956.db2.gz REVRTAACJRUBSB-UHFFFAOYSA-N 2 0 348.535 1.728 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3([NH3+])CC4(CCC4)C3)cc2)[nH]1 ZINC000662771748 453508587 /nfs/dbraw/zinc/50/85/87/453508587.db2.gz JHXQDXYNWSHAEC-UHFFFAOYSA-N 2 0 326.404 1.531 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662779623 453515487 /nfs/dbraw/zinc/51/54/87/453515487.db2.gz LATVMVFTTDIMED-JKSUJKDBSA-N 2 0 346.479 1.054 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655446120 453534321 /nfs/dbraw/zinc/53/43/21/453534321.db2.gz CUUGORUDENVMHI-RMJJICAUSA-N 2 0 348.535 1.393 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)[C@@H](C)C1 ZINC000655448809 453536342 /nfs/dbraw/zinc/53/63/42/453536342.db2.gz YDPJNKWLAIITHJ-LSTDLKDCSA-N 2 0 337.508 1.629 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662814240 453547120 /nfs/dbraw/zinc/54/71/20/453547120.db2.gz BETNZYFQVGOLHH-UMVBOHGHSA-N 2 0 349.397 1.273 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000662858137 453573856 /nfs/dbraw/zinc/57/38/56/453573856.db2.gz GFFKOUGCILOJKB-CRAIPNDOSA-N 2 0 330.476 1.798 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000662861091 453576660 /nfs/dbraw/zinc/57/66/60/453576660.db2.gz XEDHJIFUADQQJL-OAHLLOKOSA-N 2 0 329.400 1.235 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCO1 ZINC000659023899 453586343 /nfs/dbraw/zinc/58/63/43/453586343.db2.gz SUDXJNNKOOFTIA-VXGBXAGGSA-N 2 0 340.390 1.018 20 0 EDADRP CN(C(=O)c1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900532 453593697 /nfs/dbraw/zinc/59/36/97/453593697.db2.gz NCKGAZIYTGDZTM-IBGZPJMESA-N 2 0 342.487 1.530 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000665232532 453617460 /nfs/dbraw/zinc/61/74/60/453617460.db2.gz OOLKGDXKFAYMIX-NCXUSEDFSA-N 2 0 348.487 1.593 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])CC1 ZINC000665289865 453637295 /nfs/dbraw/zinc/63/72/95/453637295.db2.gz ZHPCPBLVWGAANG-QFBILLFUSA-N 3 0 346.519 1.525 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663005659 453644177 /nfs/dbraw/zinc/64/41/77/453644177.db2.gz XFVJBZZXNPEJLX-MIALQEHNSA-N 2 0 349.519 1.757 20 0 EDADRP [NH3+]CCn1cc(C(=O)NCc2ccccc2C[NH+]2CCCCC2)nn1 ZINC000659275485 453696487 /nfs/dbraw/zinc/69/64/87/453696487.db2.gz ZEHUJQIWKOLODE-UHFFFAOYSA-N 2 0 342.447 1.153 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000661085295 453709215 /nfs/dbraw/zinc/70/92/15/453709215.db2.gz LEMHGPJFQYWRBC-MRXNPFEDSA-N 2 0 340.512 1.166 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349847 453724633 /nfs/dbraw/zinc/72/46/33/453724633.db2.gz NBAHYSMLEUBVHV-ZOMKSWQUSA-N 2 0 337.414 1.902 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000659354729 453726273 /nfs/dbraw/zinc/72/62/73/453726273.db2.gz GGPFJCXPGIBPQZ-LSTDLKDCSA-N 2 0 331.435 1.777 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1F ZINC000659356245 453726861 /nfs/dbraw/zinc/72/68/61/453726861.db2.gz XTRBHLNDBWYPHM-DSRCVFDASA-N 2 0 335.423 1.394 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH3+])nnn1C1CC[NH2+]CC1 ZINC000659376768 453732602 /nfs/dbraw/zinc/73/26/02/453732602.db2.gz MVQVMPJEGJHICU-CZUORRHYSA-N 2 0 348.495 1.491 20 0 EDADRP Cc1c(Br)cncc1C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000657354520 453773038 /nfs/dbraw/zinc/77/30/38/453773038.db2.gz RDQJJZTWLZKUFG-GFCCVEGCSA-N 2 0 341.297 1.878 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@]2(c3ccccc3)CC2(C)C)CC1 ZINC000663378077 453784471 /nfs/dbraw/zinc/78/44/71/453784471.db2.gz CTXUEJONRNXOCV-ICSRJNTNSA-N 2 0 331.504 1.552 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000663503237 453811272 /nfs/dbraw/zinc/81/12/72/453811272.db2.gz LWPRVKCZLTUNGI-UHFFFAOYSA-N 2 0 347.459 1.538 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663503946 453811529 /nfs/dbraw/zinc/81/15/29/453811529.db2.gz VIBNZOVRNLIXGL-QGZVFWFLSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661402618 453811668 /nfs/dbraw/zinc/81/16/68/453811668.db2.gz HKEUJZCAEMHQJF-HUUCEWRRSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3c2NCC3)CC1 ZINC000663504842 453811871 /nfs/dbraw/zinc/81/18/71/453811871.db2.gz AQNYACXZFWLETF-UHFFFAOYSA-N 2 0 330.476 1.735 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(Cl)cnn2C)CC1 ZINC000663506080 453812221 /nfs/dbraw/zinc/81/22/21/453812221.db2.gz PEZVSADXFWCMSP-UHFFFAOYSA-N 2 0 327.860 1.154 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[C@@H]1[NH3+] ZINC000430999106 486900781 /nfs/dbraw/zinc/90/07/81/486900781.db2.gz IUSOXESUMJZJJN-CVEARBPZSA-N 2 0 346.475 1.903 20 0 EDADRP CC(C)C[C@H](NC(=O)Nc1cccc(C[NH3+])c1)C(=O)NCC[NH+](C)C ZINC000667723996 486935046 /nfs/dbraw/zinc/93/50/46/486935046.db2.gz RJXGYRAYTSCOQZ-INIZCTEOSA-N 2 0 349.479 1.359 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000667799544 486970078 /nfs/dbraw/zinc/97/00/78/486970078.db2.gz XQMILADSTMMXEY-SUMWQHHRSA-N 2 0 331.464 1.921 20 0 EDADRP CN(c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000677242015 487018950 /nfs/dbraw/zinc/01/89/50/487018950.db2.gz WDERPLGREBPQAS-RDJZCZTQSA-N 2 0 337.489 1.799 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000673810584 487119312 /nfs/dbraw/zinc/11/93/12/487119312.db2.gz VPALAKHXVOGVGK-INIZCTEOSA-N 2 0 326.404 1.969 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869092 487140436 /nfs/dbraw/zinc/14/04/36/487140436.db2.gz LFWIAPNPSYYFJL-GJZGRUSLSA-N 2 0 336.484 1.829 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2cnc(N3CCC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000685271778 487250707 /nfs/dbraw/zinc/25/07/07/487250707.db2.gz ZBLHIBYZHSEPRD-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441693 487275167 /nfs/dbraw/zinc/27/51/67/487275167.db2.gz LGYQVLUGWFHGOP-IEBWSBKVSA-N 2 0 347.503 1.922 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000682230412 487326365 /nfs/dbraw/zinc/32/63/65/487326365.db2.gz VEXCSJHGYOSVCX-UHFFFAOYSA-N 3 0 345.451 1.224 20 0 EDADRP C[C@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000682498895 487376946 /nfs/dbraw/zinc/37/69/46/487376946.db2.gz QIRDXZAXVUNCNM-AWEZNQCLSA-N 2 0 340.489 1.712 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114105 487379520 /nfs/dbraw/zinc/37/95/20/487379520.db2.gz FSADUQOQLUXFFY-WMLDXEAASA-N 2 0 329.448 1.396 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]3[C@H]2C(N)=O)cc1 ZINC000682556144 487388426 /nfs/dbraw/zinc/38/84/26/487388426.db2.gz DVWQGFKPDWKSPK-JQHSSLGASA-N 2 0 331.460 1.713 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675782258 487443683 /nfs/dbraw/zinc/44/36/83/487443683.db2.gz PKPWKHWDZQEJDW-INIZCTEOSA-N 2 0 348.491 1.052 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669288055 485522347 /nfs/dbraw/zinc/52/23/47/485522347.db2.gz OTQWXMWFHPBXOF-FUHWJXTLSA-N 2 0 328.460 1.438 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(C)nc2N2CCCC2)C1 ZINC000669556062 485559273 /nfs/dbraw/zinc/55/92/73/485559273.db2.gz YLYMRLIZSZUWGL-INIZCTEOSA-N 2 0 331.464 1.884 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669561205 485568365 /nfs/dbraw/zinc/56/83/65/485568365.db2.gz YXUXEQIPVYTNGK-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)CC(C)C ZINC000669042502 485595292 /nfs/dbraw/zinc/59/52/92/485595292.db2.gz DUNRKRSEMICYQP-PMPSAXMXSA-N 2 0 328.501 1.501 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669573785 485605614 /nfs/dbraw/zinc/60/56/14/485605614.db2.gz WIPRRNNQBKVBET-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000344587188 485950695 /nfs/dbraw/zinc/95/06/95/485950695.db2.gz YPYIBDOBSAIIED-UAGQMJEPSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000345167888 485960159 /nfs/dbraw/zinc/96/01/59/485960159.db2.gz KVSQJXSJMGUVNY-UHOSZYNNSA-N 2 0 349.519 1.678 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000669367597 486014228 /nfs/dbraw/zinc/01/42/28/486014228.db2.gz UTODNYBYVKWBDM-MRXNPFEDSA-N 2 0 345.491 1.248 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000669389600 486025452 /nfs/dbraw/zinc/02/54/52/486025452.db2.gz DFZVKJMZOGEWEO-HUUCEWRRSA-N 2 0 340.537 1.727 20 0 EDADRP CCOc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000669669475 486034939 /nfs/dbraw/zinc/03/49/39/486034939.db2.gz WSHTYQZZZDJOAS-UHFFFAOYSA-N 2 0 343.493 1.199 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000669398634 486059198 /nfs/dbraw/zinc/05/91/98/486059198.db2.gz LNLFEJZFBHJTBN-ZBFHGGJFSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000669418535 486138217 /nfs/dbraw/zinc/13/82/17/486138217.db2.gz PDOPPXKCIQCQTN-VKJFTORMSA-N 2 0 346.475 1.191 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669469574 486221210 /nfs/dbraw/zinc/22/12/10/486221210.db2.gz PAULSKDSUFCWBV-CQSZACIVSA-N 2 0 326.485 1.317 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000669474442 486227701 /nfs/dbraw/zinc/22/77/01/486227701.db2.gz KWMXEUKVVBLWGU-UWGADRCPSA-N 2 0 328.460 1.996 20 0 EDADRP O=C(NCC1C[NH2+]C1)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000668839894 486248666 /nfs/dbraw/zinc/24/86/66/486248666.db2.gz GXHHUCRGRISIGE-UHFFFAOYSA-N 2 0 336.867 1.823 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H](C)C1 ZINC000669486262 486253217 /nfs/dbraw/zinc/25/32/17/486253217.db2.gz OCANGOKYRNITTQ-CVEARBPZSA-N 2 0 340.512 1.646 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669491342 486263452 /nfs/dbraw/zinc/26/34/52/486263452.db2.gz WBXISBVEENIEDG-KZNAEPCWSA-N 2 0 334.508 1.892 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000669491362 486263841 /nfs/dbraw/zinc/26/38/41/486263841.db2.gz WPWLIAAAOODYSX-SJORKVTESA-N 2 0 334.508 1.890 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000669496423 486270456 /nfs/dbraw/zinc/27/04/56/486270456.db2.gz NHECAVRMMAFJBH-MAUKXSAKSA-N 2 0 344.503 1.854 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000079670952 491011129 /nfs/dbraw/zinc/01/11/29/491011129.db2.gz NFBYHGLOXZBXMS-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)CC2(C[NH3+])CCCCC2)C[C@@H](C)O1 ZINC000184221784 534465247 /nfs/dbraw/zinc/46/52/47/534465247.db2.gz NDTBVRCQTYRDCU-HZPDHXFCSA-N 2 0 325.497 1.901 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173920547 528186902 /nfs/dbraw/zinc/18/69/02/528186902.db2.gz XPKPJWCNNGMWRL-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000353422347 535290022 /nfs/dbraw/zinc/29/00/22/535290022.db2.gz BIWBRISJJKLTLT-MSOLQXFVSA-N 2 0 336.524 1.295 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353015457 535515091 /nfs/dbraw/zinc/51/50/91/535515091.db2.gz LUMZNWQEFHSCRP-UHFFFAOYSA-N 2 0 328.501 1.253 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1(C)C ZINC000261551780 535535724 /nfs/dbraw/zinc/53/57/24/535535724.db2.gz XTNXDFRNEAFRTO-QKLQHJQFSA-N 2 0 345.487 1.910 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H](C)C2C[NH2+]C2)cc1 ZINC000262349055 535553734 /nfs/dbraw/zinc/55/37/34/535553734.db2.gz ITMRXCHAPUEZKA-OAHLLOKOSA-N 2 0 333.476 1.879 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1OC ZINC000347384391 535594250 /nfs/dbraw/zinc/59/42/50/535594250.db2.gz AAYPJSCYRHUTRZ-INIZCTEOSA-N 2 0 348.491 1.887 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339508982 535714968 /nfs/dbraw/zinc/71/49/68/535714968.db2.gz WMNMYHMCRXGAQT-UHFFFAOYSA-N 2 0 340.512 1.212 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(OCCOC)c3)C2)CC1 ZINC000093132764 535738016 /nfs/dbraw/zinc/73/80/16/535738016.db2.gz UKTGQRFEWFXXSF-LJQANCHMSA-N 2 0 347.503 1.924 20 0 EDADRP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000346932625 535787881 /nfs/dbraw/zinc/78/78/81/535787881.db2.gz HRDCXZDGAXEZRQ-CVEARBPZSA-N 2 0 327.513 1.875 20 0 EDADRP C[NH+](C)CCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000133668954 535883199 /nfs/dbraw/zinc/88/31/99/535883199.db2.gz GDIJTCMFVLSVBI-UHFFFAOYSA-N 2 0 328.526 1.599 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000353460540 535925480 /nfs/dbraw/zinc/92/54/80/535925480.db2.gz OXVIZMSZWVKIAU-HOTGVXAUSA-N 2 0 332.448 1.903 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000333661823 535937048 /nfs/dbraw/zinc/93/70/48/535937048.db2.gz MFUTVYJBAQSXCC-QGZVFWFLSA-N 2 0 334.468 1.394 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000262351254 536017232 /nfs/dbraw/zinc/01/72/32/536017232.db2.gz ULXFXTVEVGEDLD-CQSZACIVSA-N 2 0 325.478 1.498 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCSC1 ZINC000262177102 536140877 /nfs/dbraw/zinc/14/08/77/536140877.db2.gz BEHKPIWPBCJVEV-RVKIBGRLSA-N 2 0 325.522 1.694 20 0 EDADRP C[NH+]1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000078512348 536342038 /nfs/dbraw/zinc/34/20/38/536342038.db2.gz XQRHGYJEIOKKTH-UHFFFAOYSA-N 2 0 340.537 1.741 20 0 EDADRP COCC1(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000262330150 536814621 /nfs/dbraw/zinc/81/46/21/536814621.db2.gz FFCZEHBOIYLTQA-KRWDZBQOSA-N 2 0 339.524 1.875 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540650 536816741 /nfs/dbraw/zinc/81/67/41/536816741.db2.gz AIEGXGWLNUEYEO-IEBWSBKVSA-N 2 0 331.460 1.393 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747532 536877964 /nfs/dbraw/zinc/87/79/64/536877964.db2.gz MQKRVQVBBFYWCP-YTQUADARSA-N 2 0 345.487 1.591 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C12CCCC2 ZINC000333335706 578344532 /nfs/dbraw/zinc/34/45/32/578344532.db2.gz XBXWKKVLXJGZFX-VXNCWWDNSA-N 2 0 349.519 1.961 20 0 EDADRP CC[C@H](C)[C@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056737 578478071 /nfs/dbraw/zinc/47/80/71/578478071.db2.gz QAOSMSPWFRXGJI-LSDHHAIUSA-N 2 0 336.480 1.861 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=S)NCC(C)(C)C[NH+](C)C)C1 ZINC000727072318 578514258 /nfs/dbraw/zinc/51/42/58/578514258.db2.gz LPUZLYOTIDKIND-OAHLLOKOSA-N 2 0 344.569 1.395 20 0 EDADRP COCC[NH+]1CCC(NC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727081419 578517385 /nfs/dbraw/zinc/51/73/85/578517385.db2.gz GIIJQSXFCVBFHG-UHFFFAOYSA-N 2 0 330.542 1.149 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000729606749 578584540 /nfs/dbraw/zinc/58/45/40/578584540.db2.gz PZNQCFTUTNNKOJ-DLBZAZTESA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H]1CN(CCNC(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)CCO1 ZINC000729607511 578584646 /nfs/dbraw/zinc/58/46/46/578584646.db2.gz YSVCBGMGCKPBCY-INIZCTEOSA-N 2 0 348.491 1.610 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760478429 580031688 /nfs/dbraw/zinc/03/16/88/580031688.db2.gz KBZSGXJVWUIVJC-HUUCEWRRSA-N 2 0 326.554 1.913 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000732233179 578700397 /nfs/dbraw/zinc/70/03/97/578700397.db2.gz PILAMYSVWOVFPV-MRXNPFEDSA-N 2 0 343.475 1.750 20 0 EDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000748561766 579692879 /nfs/dbraw/zinc/69/28/79/579692879.db2.gz RKVUOBNXQCFUBX-SFHVURJKSA-N 2 0 331.460 1.870 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000768938808 580224593 /nfs/dbraw/zinc/22/45/93/580224593.db2.gz UEPCZCHKSZGLAQ-HOTGVXAUSA-N 2 0 336.480 1.119 20 0 EDADRP CN(C)c1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000770457814 580261138 /nfs/dbraw/zinc/26/11/38/580261138.db2.gz MEDNOVSTJHZILP-UHFFFAOYSA-N 2 0 341.463 1.562 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@H+]1C ZINC000770717742 580269265 /nfs/dbraw/zinc/26/92/65/580269265.db2.gz YJYSFCFVSLQUAC-CVEARBPZSA-N 2 0 345.491 1.995 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]C[C@@](C)(O)C[NH+](C)C)CC2)cc1 ZINC000773100390 580327062 /nfs/dbraw/zinc/32/70/62/580327062.db2.gz WFZLXRDKWIQGJC-LJQANCHMSA-N 2 0 334.508 1.624 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000780947176 580538527 /nfs/dbraw/zinc/53/85/27/580538527.db2.gz SMRJGRMJEZTNIX-SISKNIMQSA-N 2 0 337.508 1.958 20 0 EDADRP C[C@@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000788600682 580725572 /nfs/dbraw/zinc/72/55/72/580725572.db2.gz ZAANCXDQMXLQKD-HNNXBMFYSA-N 2 0 339.505 1.901 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000794759061 580905184 /nfs/dbraw/zinc/90/51/84/580905184.db2.gz QMXLYLHBQPGBNE-UHFFFAOYSA-N 2 0 343.475 1.822 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000799304619 581024731 /nfs/dbraw/zinc/02/47/31/581024731.db2.gz XLIAIGMPXKOIPV-RDJZCZTQSA-N 2 0 325.428 1.687 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000891826077 590640238 /nfs/dbraw/zinc/64/02/38/590640238.db2.gz BOVZRXSFZKEHJF-KRWDZBQOSA-N 2 0 346.475 1.835 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891857436 590658013 /nfs/dbraw/zinc/65/80/13/590658013.db2.gz BEJTURQXGPHLOL-GXTWGEPZSA-N 2 0 330.423 1.547 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909877 590683968 /nfs/dbraw/zinc/68/39/68/590683968.db2.gz NWPXGSXFCODARQ-HOTGVXAUSA-N 2 0 340.512 1.565 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000891972397 590716883 /nfs/dbraw/zinc/71/68/83/590716883.db2.gz GKHUGHWUHDLRMK-NVXWUHKLSA-N 2 0 332.448 1.493 20 0 EDADRP COC[C@@]1(C[NH+](C)C)COCCN1C(=O)c1ccn2c(C)cnc2c1 ZINC000893225543 590720449 /nfs/dbraw/zinc/72/04/49/590720449.db2.gz IRUYXDYPRWGIKV-SFHVURJKSA-N 2 0 346.431 1.062 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000892000173 590736797 /nfs/dbraw/zinc/73/67/97/590736797.db2.gz PTEXCNDAZBOCPL-FUHWJXTLSA-N 2 0 330.476 1.868 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000892025715 590756347 /nfs/dbraw/zinc/75/63/47/590756347.db2.gz ZGPLLYSQLMACOC-JLSDUUJJSA-N 2 0 330.476 1.791 20 0 EDADRP COCCOc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)o1 ZINC000893318586 590775768 /nfs/dbraw/zinc/77/57/68/590775768.db2.gz NHVRZRDVWUVEGC-UHFFFAOYSA-N 2 0 325.453 1.422 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+]CCCN2CC[NH+](C)CC2)s1 ZINC000893323339 590778990 /nfs/dbraw/zinc/77/89/90/590778990.db2.gz BXCWBVJAOUKISI-UHFFFAOYSA-N 2 0 326.466 1.047 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117961 590808402 /nfs/dbraw/zinc/80/84/02/590808402.db2.gz BAZBWUNVSJLNDL-NVXWUHKLSA-N 2 0 330.476 1.951 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000890883205 590830857 /nfs/dbraw/zinc/83/08/57/590830857.db2.gz MTEOQGXFTFQCAR-HXUWFJFHSA-N 2 0 347.503 1.670 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)NCC[NH+]2CCC(O)CC2)([NH+](C)C)C1 ZINC000892236868 590880570 /nfs/dbraw/zinc/88/05/70/590880570.db2.gz HDJUYYYGTIJLKR-YJBOKZPZSA-N 2 0 340.512 1.253 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC1([NH3+])CCCC1 ZINC000892248546 590885980 /nfs/dbraw/zinc/88/59/80/590885980.db2.gz MNVTXCDKZVUYNM-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000892255447 590889841 /nfs/dbraw/zinc/88/98/41/590889841.db2.gz INYZYWCISCJNQZ-KCMWZYNZSA-N 2 0 346.475 1.662 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCc2cnc(C)cc2C)C1 ZINC000909386909 590933766 /nfs/dbraw/zinc/93/37/66/590933766.db2.gz KFOYLTMYEQPLCJ-HNNXBMFYSA-N 2 0 333.432 1.590 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[N@@H+]1CC(C)(C)O ZINC000892387552 591005277 /nfs/dbraw/zinc/00/52/77/591005277.db2.gz RHDIPPNCBCDTEJ-CABCVRRESA-N 2 0 340.512 1.251 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)[NH2+]C1 ZINC000892389993 591006399 /nfs/dbraw/zinc/00/63/99/591006399.db2.gz QIIADZSSGZKVRU-CVEARBPZSA-N 2 0 338.496 1.128 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892401098 591012459 /nfs/dbraw/zinc/01/24/59/591012459.db2.gz YUZOEHWREAADIM-ZWKOTPCHSA-N 2 0 332.492 1.930 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000892408408 591015671 /nfs/dbraw/zinc/01/56/71/591015671.db2.gz PVUJKWMJDFEDQV-SFHVURJKSA-N 2 0 332.492 1.978 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000892434123 591026996 /nfs/dbraw/zinc/02/69/96/591026996.db2.gz MJLQWPWPESUYGD-BRWVUGGUSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892438360 591028535 /nfs/dbraw/zinc/02/85/35/591028535.db2.gz YSTHJZOHRIWAKX-JYJNAYRXSA-N 2 0 338.496 1.399 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892477496 591041091 /nfs/dbraw/zinc/04/10/91/591041091.db2.gz CSWYQUIEQLPWPW-CABCVRRESA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCCC1 ZINC000891320180 591045447 /nfs/dbraw/zinc/04/54/47/591045447.db2.gz IHNWYOYIKZCOID-ZDUSSCGKSA-N 2 0 332.439 1.795 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000892488968 591046566 /nfs/dbraw/zinc/04/65/66/591046566.db2.gz BHZGQADOHMNRMC-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP CCN(C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[C@@H]1CC[NH2+]C1 ZINC000892529986 591060664 /nfs/dbraw/zinc/06/06/64/591060664.db2.gz HBJXEZFOOLZUGA-QZTJIDSGSA-N 2 0 330.476 1.963 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CC[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892530765 591060744 /nfs/dbraw/zinc/06/07/44/591060744.db2.gz XDCBFOPOYLWXCL-JQHSSLGASA-N 2 0 330.476 1.948 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)N3CCO[C@@H]([C@H](C)[NH3+])C3)C2)cc1 ZINC000892530763 591061244 /nfs/dbraw/zinc/06/12/44/591061244.db2.gz XDAYLNHNFMYXNL-RYQLBKOJSA-N 2 0 346.475 1.327 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC4CC3(C[NH3+])C4)C2)cc1 ZINC000892530726 591061461 /nfs/dbraw/zinc/06/14/61/591061461.db2.gz WBTUYLCTIIKBTO-HFCFLWKCSA-N 2 0 328.460 1.702 20 0 EDADRP COC(=O)c1c[nH]c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1C1CC1 ZINC000892534939 591063799 /nfs/dbraw/zinc/06/37/99/591063799.db2.gz BAQKYHSSNULRHR-UHFFFAOYSA-N 2 0 348.491 1.794 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000891412975 591070067 /nfs/dbraw/zinc/07/00/67/591070067.db2.gz VAHJHIIUEIEFIV-HNNXBMFYSA-N 2 0 340.418 1.662 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891455759 591078357 /nfs/dbraw/zinc/07/83/57/591078357.db2.gz GKOYTLWOBDZQGZ-IYBDPMFKSA-N 2 0 332.448 1.273 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000891502227 591097097 /nfs/dbraw/zinc/09/70/97/591097097.db2.gz NZCFFOMNAWTWFA-KBAYOESNSA-N 2 0 345.491 1.106 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000891508605 591098724 /nfs/dbraw/zinc/09/87/24/591098724.db2.gz OVEPODPNEDRKPT-IYBDPMFKSA-N 2 0 334.464 1.554 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000891576263 591132153 /nfs/dbraw/zinc/13/21/53/591132153.db2.gz KDQLCULXRLQCLI-MSOLQXFVSA-N 2 0 330.476 1.730 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891643865 591164961 /nfs/dbraw/zinc/16/49/61/591164961.db2.gz IQQVMWGGDYNUHS-UBDQQSCGSA-N 2 0 328.460 1.653 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892776092 591171349 /nfs/dbraw/zinc/17/13/49/591171349.db2.gz MRHBUDUFZQPEGV-HZPDHXFCSA-N 2 0 338.496 1.317 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892780910 591173356 /nfs/dbraw/zinc/17/33/56/591173356.db2.gz WOXDHAYHMIOOKJ-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000892804709 591184511 /nfs/dbraw/zinc/18/45/11/591184511.db2.gz IUHCLMMLBIBPGL-OLMNPRSZSA-N 2 0 330.476 1.825 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@H]1c1ccccc1 ZINC000891723671 591198687 /nfs/dbraw/zinc/19/86/87/591198687.db2.gz SWENUASXCDQUNJ-IAGOWNOFSA-N 2 0 325.416 1.908 20 0 EDADRP CC(C)[C@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000891753105 591211566 /nfs/dbraw/zinc/21/15/66/591211566.db2.gz RVGNQVVJMLXNHW-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000892933121 591229169 /nfs/dbraw/zinc/22/91/69/591229169.db2.gz FNZFAIYKCGCDBW-HZPDHXFCSA-N 2 0 338.496 1.528 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1(C)C ZINC000894253075 591248636 /nfs/dbraw/zinc/24/86/36/591248636.db2.gz FTKGOAPYTALABG-LSDHHAIUSA-N 2 0 329.460 1.236 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)nc2ccccc21 ZINC000895768301 591268766 /nfs/dbraw/zinc/26/87/66/591268766.db2.gz BPQUVEYWQCNECU-ZIAGYGMSSA-N 2 0 326.448 1.862 20 0 EDADRP C[C@@H]1C[C@]2(CC[C@H](C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)O2)CO1 ZINC000895819273 591280893 /nfs/dbraw/zinc/28/08/93/591280893.db2.gz WIGDBEZRLAQNEU-QGPMSJSTSA-N 2 0 326.481 1.538 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C[C@H]2C1 ZINC000895899435 591299592 /nfs/dbraw/zinc/29/95/92/591299592.db2.gz KTARGHWKXYXZNS-FGTMMUONSA-N 2 0 328.460 1.464 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894395565 591300917 /nfs/dbraw/zinc/30/09/17/591300917.db2.gz DOQXFMOGCZSNOW-UHFFFAOYSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccco1 ZINC000895935569 591308377 /nfs/dbraw/zinc/30/83/77/591308377.db2.gz JJSPROALVAJSHX-QGZVFWFLSA-N 2 0 349.475 1.890 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CCC[NH+]3C3CCCCC3)C[C@H]2C1 ZINC000894587330 591354061 /nfs/dbraw/zinc/35/40/61/591354061.db2.gz ADIZNIMYJWKDTB-SOLBZPMBSA-N 2 0 334.508 1.987 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCC[NH+]2CCC(C)(C)C2)CC1(C)C ZINC000894600562 591355428 /nfs/dbraw/zinc/35/54/28/591355428.db2.gz DCZVUHBWRGUGLL-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)C2)cc1 ZINC000896144814 591357468 /nfs/dbraw/zinc/35/74/68/591357468.db2.gz ZKXGMTJOYJEGSH-QYZOEREBSA-N 2 0 342.487 1.915 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000896138832 591360107 /nfs/dbraw/zinc/36/01/07/591360107.db2.gz UNJMIFWJBUNJMX-CZUORRHYSA-N 2 0 335.452 1.017 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000894782685 591417421 /nfs/dbraw/zinc/41/74/21/591417421.db2.gz XHQXXLPECDOZQA-CVEARBPZSA-N 2 0 343.487 1.626 20 0 EDADRP Cc1[nH+]c2cc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccc2n1C(CO)CO ZINC000894922685 591477905 /nfs/dbraw/zinc/47/79/05/591477905.db2.gz UCVWWNBKNQRYEX-CVEARBPZSA-N 2 0 344.459 1.909 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000895003545 591514612 /nfs/dbraw/zinc/51/46/12/591514612.db2.gz WXKZZYAZQZJHIR-GOSISDBHSA-N 2 0 327.428 1.617 20 0 EDADRP CN(C(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)[C@H]1CCC[N@H+](C)C1 ZINC000896608969 591552150 /nfs/dbraw/zinc/55/21/50/591552150.db2.gz KPCAIKWCAVJEKB-KKUMJFAQSA-N 2 0 326.510 1.302 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000896781087 591610473 /nfs/dbraw/zinc/61/04/73/591610473.db2.gz MPUUWUZOIUYPNT-QGZVFWFLSA-N 2 0 337.508 1.963 20 0 EDADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000897170320 591757710 /nfs/dbraw/zinc/75/77/10/591757710.db2.gz SUDAMASEKBTRIZ-LJQANCHMSA-N 2 0 349.519 1.822 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CCN2CCOCC2)CC1 ZINC000728701110 591790492 /nfs/dbraw/zinc/79/04/92/591790492.db2.gz DFPSJEMLYYCHGI-UHFFFAOYSA-N 2 0 346.475 1.854 20 0 EDADRP CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000899952701 591839519 /nfs/dbraw/zinc/83/95/19/591839519.db2.gz OZKWVSGKYDHVFN-WMZOPIPTSA-N 2 0 337.508 1.747 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CCCCCC1 ZINC000899977816 591853755 /nfs/dbraw/zinc/85/37/55/591853755.db2.gz SWXZCIBXFSNWNR-SFHVURJKSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333448 591875769 /nfs/dbraw/zinc/87/57/69/591875769.db2.gz TVILHWKWQZMIKG-RDJZCZTQSA-N 2 0 348.491 1.972 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000900046405 591882892 /nfs/dbraw/zinc/88/28/92/591882892.db2.gz ZCDFTEFSHHCLHM-IEBWSBKVSA-N 2 0 331.460 1.176 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000900157477 591920072 /nfs/dbraw/zinc/92/00/72/591920072.db2.gz FFYOBGNLLVSBSW-MJGOQNOKSA-N 2 0 331.460 1.354 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900174082 591938046 /nfs/dbraw/zinc/93/80/46/591938046.db2.gz HCXFEIRNVMXFPQ-OAHLLOKOSA-N 2 0 333.432 1.416 20 0 EDADRP [NH3+]CCCC[C@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(F)cc1F ZINC000902390375 591990045 /nfs/dbraw/zinc/99/00/45/591990045.db2.gz LHDRQDJVFZCPDK-BBRMVZONSA-N 2 0 339.390 1.377 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900442350 592019581 /nfs/dbraw/zinc/01/95/81/592019581.db2.gz QDKAZLDYUFMORR-SJORKVTESA-N 2 0 342.443 1.884 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900565047 592053909 /nfs/dbraw/zinc/05/39/09/592053909.db2.gz DZLOPANLSNDJBV-LPHOPBHVSA-N 2 0 349.475 1.088 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900588378 592060604 /nfs/dbraw/zinc/06/06/04/592060604.db2.gz ZNYCHBIZYQHOKT-UHFFFAOYSA-N 2 0 332.448 1.941 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCO[C@@]23CCOC3)cc1 ZINC000903118572 592123374 /nfs/dbraw/zinc/12/33/74/592123374.db2.gz FJNKCFQPOWPJBA-PKOBYXMFSA-N 2 0 347.459 1.016 20 0 EDADRP C([C@@H]1CCCO1)N1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903269786 592149054 /nfs/dbraw/zinc/14/90/54/592149054.db2.gz BORJBRAKOVAITE-BZSNNMDCSA-N 2 0 339.549 1.799 20 0 EDADRP CCOc1ccccc1OCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903492366 592185239 /nfs/dbraw/zinc/18/52/39/592185239.db2.gz OFCQRDKYFCDEEX-KHYOSLBOSA-N 2 0 348.443 1.676 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1ccc(Cl)cc1)C2 ZINC000903493697 592186155 /nfs/dbraw/zinc/18/61/55/592186155.db2.gz ZYVHEEOMWUQJGC-QEORTHHSSA-N 2 0 338.835 1.931 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)Nc2cccc(C(=O)NC3CC3)c2)C[C@H]1CC[NH3+] ZINC000903496598 592187764 /nfs/dbraw/zinc/18/77/64/592187764.db2.gz VBGJCYOYBAIPKW-UKRRQHHQSA-N 2 0 344.459 1.434 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)C1 ZINC000900995389 592200209 /nfs/dbraw/zinc/20/02/09/592200209.db2.gz LONSKCKYQJKXPR-RRFJBIMHSA-N 2 0 337.464 1.003 20 0 EDADRP [NH3+]CCOCC[NH+]1CCC(Cc2nc(-c3ccc(F)cn3)no2)CC1 ZINC000903565633 592212362 /nfs/dbraw/zinc/21/23/62/592212362.db2.gz OPBWRAVWQKDABV-UHFFFAOYSA-N 2 0 349.410 1.501 20 0 EDADRP COc1ccc(C(C)(C)C[NH2+]C2CCN(CC[NH3+])CC2)cc1OC ZINC000904362251 592238141 /nfs/dbraw/zinc/23/81/41/592238141.db2.gz KKRSHJRDDVZPMR-UHFFFAOYSA-N 2 0 335.492 1.994 20 0 EDADRP [NH3+]CCN1CCC([NH2+]C[C@@H]2C[C@H](F)CN2Cc2cccs2)CC1 ZINC000904368039 592238951 /nfs/dbraw/zinc/23/89/51/592238951.db2.gz GYVMLQJKBRDGPE-HOCLYGCPSA-N 2 0 340.512 1.673 20 0 EDADRP COc1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc2c1OCCO2 ZINC000904389775 592243337 /nfs/dbraw/zinc/24/33/37/592243337.db2.gz UQVQNHSBPZXEJG-OAHLLOKOSA-N 2 0 348.443 1.796 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000906672206 592254011 /nfs/dbraw/zinc/25/40/11/592254011.db2.gz JGFPUVHJQQUIBO-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CC[NH2+]1 ZINC000904433117 592256181 /nfs/dbraw/zinc/25/61/81/592256181.db2.gz KJOCSRCDBXYMSP-JKSUJKDBSA-N 2 0 343.537 1.655 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906679660 592260747 /nfs/dbraw/zinc/26/07/47/592260747.db2.gz WHWGXIPZPTWIMC-ZDUSSCGKSA-N 2 0 332.448 1.320 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC[C@H]([C@@H]2CCOC2)C1 ZINC000904473148 592268685 /nfs/dbraw/zinc/26/86/85/592268685.db2.gz OLPKJTLXOAILFQ-GVDBMIGSSA-N 2 0 333.480 1.841 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)[C@@H](C)C1 ZINC000904597554 592292619 /nfs/dbraw/zinc/29/26/19/592292619.db2.gz TYFOGIDLQJYBBH-UONOGXRCSA-N 2 0 334.464 1.799 20 0 EDADRP CC(C)COC(=O)N1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751614 592295647 /nfs/dbraw/zinc/29/56/47/592295647.db2.gz HKMSFTXPSRRRFF-FUHWJXTLSA-N 2 0 339.480 1.555 20 0 EDADRP c1nnc([C@@H]2CCC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751338 592295829 /nfs/dbraw/zinc/29/58/29/592295829.db2.gz CZQSQYOBARNZPQ-HFTRVMKXSA-N 2 0 331.464 1.561 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752930 592296877 /nfs/dbraw/zinc/29/68/77/592296877.db2.gz QHSGBWBPBZVLAZ-HZMVEIRTSA-N 2 0 336.476 1.951 20 0 EDADRP CCCCNC(=O)C1([NH2+]C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903734244 592297743 /nfs/dbraw/zinc/29/77/43/592297743.db2.gz WLTOHYUZBYGMCG-FUHWJXTLSA-N 2 0 337.508 1.964 20 0 EDADRP [NH3+][C@@H]1CCCn2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cc21 ZINC000904639770 592301756 /nfs/dbraw/zinc/30/17/56/592301756.db2.gz VXRNEVPCRCJPTN-WDMOLILDSA-N 2 0 330.392 1.262 20 0 EDADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000906740562 592305629 /nfs/dbraw/zinc/30/56/29/592305629.db2.gz XZMOIOBZKFFYDO-JCNLHEQBSA-N 2 0 344.459 1.117 20 0 EDADRP O=C1N[C@H]2C[N@H+](Cc3ccccc3CF)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000903760677 592307010 /nfs/dbraw/zinc/30/70/10/592307010.db2.gz JKRPDZKHAOUOOV-ROUUACIJSA-N 2 0 346.450 1.876 20 0 EDADRP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@H]4C[C@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763007 592308144 /nfs/dbraw/zinc/30/81/44/592308144.db2.gz GSUSHWNMOHOZCU-BQJUDKOJSA-N 2 0 341.499 1.961 20 0 EDADRP O=S1(=O)Cc2ccccc2[C@H]([NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769281 592311240 /nfs/dbraw/zinc/31/12/40/592311240.db2.gz BLMIOJYZCJPXMW-UAGQMJEPSA-N 2 0 336.457 1.014 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000908119676 592331728 /nfs/dbraw/zinc/33/17/28/592331728.db2.gz RFCIQHPIMDVFSF-IBGZPJMESA-N 2 0 331.460 1.176 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000901335682 592333167 /nfs/dbraw/zinc/33/31/67/592333167.db2.gz FYXYPRMNLCAVAI-MRXNPFEDSA-N 2 0 343.475 1.695 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCN(c3nccs3)CC2)cnn1C ZINC000903885697 592363688 /nfs/dbraw/zinc/36/36/88/592363688.db2.gz JKPRSCVPIOERDU-OAHLLOKOSA-N 2 0 348.520 1.515 20 0 EDADRP Fc1cnc(N2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)nc1 ZINC000903905673 592373046 /nfs/dbraw/zinc/37/30/46/592373046.db2.gz LJQMBUJKICAEAB-UHFFFAOYSA-N 2 0 327.407 1.584 20 0 EDADRP CN(C)C(=O)N1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C(C)(C)C1 ZINC000903908465 592373437 /nfs/dbraw/zinc/37/34/37/592373437.db2.gz JIKCXUYMCJPTDE-UHFFFAOYSA-N 2 0 330.476 1.910 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CC[NH2+]Cc3c(C)cccc32)cnn1C ZINC000903919359 592377509 /nfs/dbraw/zinc/37/75/09/592377509.db2.gz NJEDNBWLOOSECM-INIZCTEOSA-N 2 0 327.476 1.764 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2ccccc2-n2cccn2)cnn1C ZINC000903920809 592378291 /nfs/dbraw/zinc/37/82/91/592378291.db2.gz LVLAYYNAGLXYAB-INIZCTEOSA-N 2 0 338.459 1.821 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]CCc2cn3ccccc3n2)cnn1C ZINC000903925305 592379545 /nfs/dbraw/zinc/37/95/45/592379545.db2.gz DOKXIAUOUBOQID-OAHLLOKOSA-N 2 0 326.448 1.326 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203442 592380840 /nfs/dbraw/zinc/38/08/40/592380840.db2.gz DBHGQNDSULAVHK-FUHWJXTLSA-N 2 0 337.439 1.391 20 0 EDADRP Cc1noc(C)c1CN1C[C@@H](F)C[C@H]1C[NH2+]C[C@H]([NH3+])CC(F)F ZINC000903927085 592380966 /nfs/dbraw/zinc/38/09/66/592380966.db2.gz PVFVDIKHLZRPCC-XQQFMLRXSA-N 2 0 334.386 1.776 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cnn1C ZINC000903930093 592381747 /nfs/dbraw/zinc/38/17/47/592381747.db2.gz SBJXXCWJDAWNOE-MNEFBYGVSA-N 3 0 349.523 1.064 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1(O)CCOCC1 ZINC000905022614 592383134 /nfs/dbraw/zinc/38/31/34/592383134.db2.gz AXKZRYZXALIQAK-LJQANCHMSA-N 2 0 348.487 1.665 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]2CCc3nccn3C2)cnn1C ZINC000903917528 592390879 /nfs/dbraw/zinc/39/08/79/592390879.db2.gz ZGNVXEULVIEXOB-HOTGVXAUSA-N 2 0 330.480 1.237 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+]C[C@H](O)C2(O)CCCC2)c2ccccc2)CC1 ZINC000905090462 592393973 /nfs/dbraw/zinc/39/39/73/592393973.db2.gz VSIIGZCWMQUKHE-MOPGFXCFSA-N 2 0 347.503 1.231 20 0 EDADRP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903956105 592395597 /nfs/dbraw/zinc/39/55/97/592395597.db2.gz GXUYTUWKCHTAHR-ZBFHGGJFSA-N 2 0 339.430 1.958 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903977220 592399664 /nfs/dbraw/zinc/39/96/64/592399664.db2.gz LUYSDGARNGJQLQ-CZUORRHYSA-N 2 0 336.480 1.868 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc(OC)cc(OC)c1)C2 ZINC000903978944 592400329 /nfs/dbraw/zinc/40/03/29/592400329.db2.gz PCYHHANYBKUVPV-IYOUNJFTSA-N 2 0 334.416 1.416 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc3ccc(C)cn13)C2 ZINC000903979187 592400375 /nfs/dbraw/zinc/40/03/75/592400375.db2.gz YBTWZGQOVCFQPS-IYOUNJFTSA-N 2 0 328.416 1.355 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000908425803 592490671 /nfs/dbraw/zinc/49/06/71/592490671.db2.gz CCOTVOCJPBSDMX-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000908610592 592553449 /nfs/dbraw/zinc/55/34/49/592553449.db2.gz PNGAQRFEGSHXQQ-INIZCTEOSA-N 2 0 325.497 1.460 20 0 EDADRP Cc1cc2c(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)nccn2n1 ZINC000905700764 592614437 /nfs/dbraw/zinc/61/44/37/592614437.db2.gz QGRBSRARUOAOKX-IYBDPMFKSA-N 2 0 326.448 1.443 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@]1(O)CCOC1 ZINC000905890527 592669180 /nfs/dbraw/zinc/66/91/80/592669180.db2.gz SUPUDASNOGRBGY-WOJBJXKFSA-N 2 0 348.487 1.665 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H](O)c2ccccc2)[C@@H](C)C1 ZINC000906085236 592738652 /nfs/dbraw/zinc/73/86/52/592738652.db2.gz KBYMARWPCCBUIP-CGTJXYLNSA-N 2 0 333.476 1.626 20 0 EDADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)CCC[NH+](C)C)C1 ZINC000907649595 592755425 /nfs/dbraw/zinc/75/54/25/592755425.db2.gz HIBVQUWVOOMVCK-OAHLLOKOSA-N 2 0 327.469 1.062 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN([C@@H]2C[C@@H]2c2cccc(F)c2)CC1 ZINC000906590234 592852711 /nfs/dbraw/zinc/85/27/11/592852711.db2.gz HENCTTFFDHTJEH-KZNAEPCWSA-N 2 0 331.435 1.920 20 0 EDADRP C[C@@H]1CN(CCO)[C@@H](C)CN1C(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000910931677 592901926 /nfs/dbraw/zinc/90/19/26/592901926.db2.gz QJFYPWLEYVKKPD-LSDHHAIUSA-N 2 0 344.459 1.818 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C)C(C)C ZINC000910945719 592905492 /nfs/dbraw/zinc/90/54/92/592905492.db2.gz DXYXFEIMLLTGMW-KRWDZBQOSA-N 2 0 348.491 1.170 20 0 EDADRP C[C@H](CCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)[NH+]1CCCCC1 ZINC000911244636 592966902 /nfs/dbraw/zinc/96/69/02/592966902.db2.gz ZNPQGUXFDCCCGB-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@H]12 ZINC000911734486 592992474 /nfs/dbraw/zinc/99/24/74/592992474.db2.gz CJOWRYIQKPWRTD-QILLFSRXSA-N 2 0 343.475 1.598 20 0 EDADRP [NH3+][C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C1CCCCCC1 ZINC000911736412 592993360 /nfs/dbraw/zinc/99/33/60/592993360.db2.gz QQQPYSVWCAHFPD-QGZVFWFLSA-N 2 0 331.464 1.727 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911751611 592997426 /nfs/dbraw/zinc/99/74/26/592997426.db2.gz NAEZDSDTICFXQL-YOKBYHGQSA-N 2 0 343.427 1.674 20 0 EDADRP [NH3+]CCc1cnc2c(C(=O)Nc3cccc4c3CC[NH2+]C4)cnn2c1 ZINC000911789394 593009373 /nfs/dbraw/zinc/00/93/73/593009373.db2.gz IOXZVNRGFDMQQO-UHFFFAOYSA-N 2 0 336.399 1.129 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736568918 593018050 /nfs/dbraw/zinc/01/80/50/593018050.db2.gz FTFDKISLSCXUJJ-HNNXBMFYSA-N 2 0 343.479 1.230 20 0 EDADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911817305 593022442 /nfs/dbraw/zinc/02/24/42/593022442.db2.gz GZCTUJPOILCXBV-APWZRJJASA-N 2 0 331.460 1.819 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](CC(C)(C)C)C1)C2=O ZINC000840150155 593297591 /nfs/dbraw/zinc/29/75/91/593297591.db2.gz QJKRQXHHNCYXPR-AWEZNQCLSA-N 2 0 336.480 1.718 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCC(C)(NC(=O)OC(C)(C)C)CC1)C1CC1 ZINC000809985393 593373950 /nfs/dbraw/zinc/37/39/50/593373950.db2.gz KYOPVXOFHZFWOU-HNNXBMFYSA-N 2 0 341.496 1.821 20 0 EDADRP C[N@@H+]1CCCN(CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CC1 ZINC000813451384 593533852 /nfs/dbraw/zinc/53/38/52/593533852.db2.gz MVQGTHMEBHHAMU-GOSISDBHSA-N 2 0 342.503 1.343 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)CC[NH2+]CC1 ZINC000817927972 593649483 /nfs/dbraw/zinc/64/94/83/593649483.db2.gz OWYZZUHEMPGMKY-WMZOPIPTSA-N 2 0 348.487 1.891 20 0 EDADRP CC(C)(C)OC(=O)N1CCC([C@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167761 593676762 /nfs/dbraw/zinc/67/67/62/593676762.db2.gz VGIABAKQPZRPBW-OWCLPIDISA-N 2 0 339.480 1.146 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)CC1 ZINC000818538801 593703887 /nfs/dbraw/zinc/70/38/87/593703887.db2.gz CDYNSWDDQIQMSS-UHFFFAOYSA-N 2 0 331.416 1.663 20 0 EDADRP CCS(=O)(=O)CC[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000819065477 593736988 /nfs/dbraw/zinc/73/69/88/593736988.db2.gz KEGVOCSABJXMPJ-UHFFFAOYSA-N 2 0 340.489 1.168 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000821808172 593944820 /nfs/dbraw/zinc/94/48/20/593944820.db2.gz BFLSLHIVPYUIGA-CQSZACIVSA-N 2 0 330.436 1.695 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000825278842 594160820 /nfs/dbraw/zinc/16/08/20/594160820.db2.gz JLBSJEWMSWYICS-UHFFFAOYSA-N 2 0 339.524 1.925 20 0 EDADRP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000829645249 594231651 /nfs/dbraw/zinc/23/16/51/594231651.db2.gz GAHXERFLDPAGDI-BZUAXINKSA-N 2 0 341.496 1.678 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]23C[C@H]2COC32CCC2)C[C@H]1C[NH+](C)C ZINC000827892777 594299193 /nfs/dbraw/zinc/29/91/93/594299193.db2.gz SEBRNUNERCMUGM-JEWRLFTDSA-N 2 0 335.492 1.143 20 0 EDADRP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC000826832627 594584868 /nfs/dbraw/zinc/58/48/68/594584868.db2.gz SADXOFGLIAVVKO-DOTOQJQBSA-N 2 0 325.497 1.676 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000827429326 594671091 /nfs/dbraw/zinc/67/10/91/594671091.db2.gz BNJIUMMZFVBCGR-UHFFFAOYSA-N 2 0 334.508 1.101 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000827491053 594677009 /nfs/dbraw/zinc/67/70/09/594677009.db2.gz KUMXUCSLPSVGFY-FGTMMUONSA-N 2 0 347.507 1.254 20 0 EDADRP CCO[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+](C)C ZINC000831724550 594696486 /nfs/dbraw/zinc/69/64/86/594696486.db2.gz OYIAETNWPOOXKS-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000841017497 594839751 /nfs/dbraw/zinc/83/97/51/594839751.db2.gz DZEMFLYBEUIRSX-OAHLLOKOSA-N 2 0 333.480 1.948 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847549 594964670 /nfs/dbraw/zinc/96/46/70/594964670.db2.gz RBNTXHJTYYTVIZ-CYBMUJFWSA-N 2 0 333.432 1.922 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000841927100 594983107 /nfs/dbraw/zinc/98/31/07/594983107.db2.gz FQEFJAHOISBCQA-LJQANCHMSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378357 595094369 /nfs/dbraw/zinc/09/43/69/595094369.db2.gz RLUGKGDVZGOHPH-VXGBXAGGSA-N 2 0 331.420 1.656 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](CCCCCCC[NH3+])CC2)cn1 ZINC000842472120 595113436 /nfs/dbraw/zinc/11/34/36/595113436.db2.gz RKQPSRLDXAXDBC-UHFFFAOYSA-N 2 0 335.496 1.771 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)C1(C)C ZINC000843457471 595117744 /nfs/dbraw/zinc/11/77/44/595117744.db2.gz PKCXOYHFEMYSFN-PBHICJAKSA-N 2 0 335.452 1.279 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000843459047 595118239 /nfs/dbraw/zinc/11/82/39/595118239.db2.gz LBMVCLXVLFDSPF-UHFFFAOYSA-N 2 0 327.432 1.822 20 0 EDADRP [NH3+]C1(c2noc([C@@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)CCCC1 ZINC000842593192 595134143 /nfs/dbraw/zinc/13/41/43/595134143.db2.gz VHMFUTXENKHRLG-GOSISDBHSA-N 2 0 328.416 1.891 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)CO[C@H]2CCC[NH2+]C2)c1 ZINC000844186030 595295879 /nfs/dbraw/zinc/29/58/79/595295879.db2.gz VLFSDVAPJALRMO-KRWDZBQOSA-N 2 0 335.448 1.724 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844186033 595296002 /nfs/dbraw/zinc/29/60/02/595296002.db2.gz VLFSDVAPJALRMO-QGZVFWFLSA-N 2 0 335.448 1.724 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000846674359 595298747 /nfs/dbraw/zinc/29/87/47/595298747.db2.gz NDQPFDJSCCCBQK-KRWDZBQOSA-N 3 0 333.480 1.046 20 0 EDADRP [NH2+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NC1CCCC1 ZINC000849053129 595475722 /nfs/dbraw/zinc/47/57/22/595475722.db2.gz AKNJDIFYFLSVJO-UHFFFAOYSA-N 2 0 345.495 1.435 20 0 EDADRP [NH2+]=C(NCC(=O)NC1CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849057347 595476120 /nfs/dbraw/zinc/47/61/20/595476120.db2.gz OSVIVSLSIQXREN-UHFFFAOYSA-N 2 0 329.448 1.044 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000849350248 595509471 /nfs/dbraw/zinc/50/94/71/595509471.db2.gz MNGNVISZODMGTK-QGZVFWFLSA-N 2 0 331.460 1.762 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495273 595550497 /nfs/dbraw/zinc/55/04/97/595550497.db2.gz BSMHRRBWTMQHBS-MSOLQXFVSA-N 2 0 347.507 1.448 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCCC1 ZINC000849522094 595558052 /nfs/dbraw/zinc/55/80/52/595558052.db2.gz JHXQXXHSQJIBOR-PVAVHDDUSA-N 2 0 333.480 1.056 20 0 EDADRP CN1CCC(CNC(=O)C=C2CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000852873503 595592417 /nfs/dbraw/zinc/59/24/17/595592417.db2.gz WWNPRUMDLUEAJG-UHFFFAOYSA-N 2 0 334.508 1.363 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000853466269 595759212 /nfs/dbraw/zinc/75/92/12/595759212.db2.gz XKLQGRRZJSVPIW-IRXDYDNUSA-N 2 0 341.544 1.432 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525901 595818751 /nfs/dbraw/zinc/81/87/51/595818751.db2.gz NVYOQAZOAGMPLM-JYJNAYRXSA-N 2 0 341.496 1.942 20 0 EDADRP C[C@]1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000851660561 595872526 /nfs/dbraw/zinc/87/25/26/595872526.db2.gz SIUXOIXYQAFSBT-ZHALLVOQSA-N 2 0 348.466 1.979 20 0 EDADRP CNC(=O)c1ccc(CN(C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)cc1 ZINC000851709797 595892892 /nfs/dbraw/zinc/89/28/92/595892892.db2.gz ABWDDWTUXOIJPF-SFHVURJKSA-N 2 0 333.476 1.712 20 0 EDADRP CC(C)[NH2+]Cc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000854146478 595989272 /nfs/dbraw/zinc/98/92/72/595989272.db2.gz RCGRJPQMNVJWDN-UHFFFAOYSA-N 2 0 330.436 1.772 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COC[C@H]2CCCO2)cc1 ZINC000859215075 596006978 /nfs/dbraw/zinc/00/69/78/596006978.db2.gz YAIMVSYAPAWCHV-RTBURBONSA-N 2 0 336.476 1.737 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N(C)C[C@H](C)[NH3+])cc2)CC1 ZINC000861554910 596028367 /nfs/dbraw/zinc/02/83/67/596028367.db2.gz ZNPBQCXQJUCUHM-INIZCTEOSA-N 2 0 347.507 1.313 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000852064202 596030285 /nfs/dbraw/zinc/03/02/85/596030285.db2.gz VOSUJPDWRMZMSV-YESZJQIVSA-N 2 0 338.496 1.269 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCOC[C@H]1[C@@H]1CCC[NH+]1C ZINC000854642672 596146115 /nfs/dbraw/zinc/14/61/15/596146115.db2.gz QYAWXFLJGHJGIW-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852750976 596237824 /nfs/dbraw/zinc/23/78/24/596237824.db2.gz LPCAQPJQHRKMJA-KKUMJFAQSA-N 2 0 325.453 1.354 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000866577563 596256488 /nfs/dbraw/zinc/25/64/88/596256488.db2.gz LNCLYDMAELPDTL-RHSMWYFYSA-N 2 0 339.505 1.457 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000862214214 596276200 /nfs/dbraw/zinc/27/62/00/596276200.db2.gz KCHORKHWUPZNBV-SFHVURJKSA-N 2 0 341.471 1.522 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCNC(=O)CC23CCOCC3)cc1 ZINC000866697216 596297971 /nfs/dbraw/zinc/29/79/71/596297971.db2.gz JFSNWLRIPZSCNM-MRXNPFEDSA-N 2 0 347.459 1.109 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCCOc2ccc(F)cc2)C1 ZINC000866709812 596304417 /nfs/dbraw/zinc/30/44/17/596304417.db2.gz UMKDZWUAAVWKJC-UAGQMJEPSA-N 2 0 349.406 1.462 20 0 EDADRP CCC(CC)[C@H](CNC(=O)CCC12CC(C1)C[NH2+]2)[NH+]1CCOCC1 ZINC000870860760 596379797 /nfs/dbraw/zinc/37/97/97/596379797.db2.gz PCHZVMDVSOJOEG-RMXPPQQLSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907498 596398736 /nfs/dbraw/zinc/39/87/36/596398736.db2.gz WSNAKSDRRNSTNM-SMDDNHRTSA-N 2 0 334.489 1.823 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C(F)F ZINC000870945914 596414694 /nfs/dbraw/zinc/41/46/94/596414694.db2.gz YTRSJUZQNJEAAQ-UWVGGRQHSA-N 2 0 336.180 1.548 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H]1C[NH3+] ZINC000870946182 596414842 /nfs/dbraw/zinc/41/48/42/596414842.db2.gz QOVXSBIPYCLQEY-MPKXVKKWSA-N 2 0 340.265 1.892 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000870976048 596423464 /nfs/dbraw/zinc/42/34/64/596423464.db2.gz NPAPSQAPLVDDKO-RFSXOUPVSA-N 2 0 337.508 1.767 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2F)CC1 ZINC000871012511 596438835 /nfs/dbraw/zinc/43/88/35/596438835.db2.gz WVEPPYCHZMRBQU-QGZVFWFLSA-N 2 0 338.402 1.608 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000865245894 596522257 /nfs/dbraw/zinc/52/22/57/596522257.db2.gz SNNQXYOMWHIZLR-HUUCEWRRSA-N 2 0 326.554 1.865 20 0 EDADRP CC(=O)NCC1CCC([NH2+]CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000865451602 596579170 /nfs/dbraw/zinc/57/91/70/596579170.db2.gz TUFOXPSIAIKBTG-UHFFFAOYSA-N 2 0 338.540 1.545 20 0 EDADRP COc1ncc(Br)cc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000865473016 596585254 /nfs/dbraw/zinc/58/52/54/596585254.db2.gz JHIUEECESFHMFO-UHFFFAOYSA-N 2 0 344.253 1.399 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNc2cc[nH+]cc2C(F)(F)F)C1 ZINC000865500984 596592944 /nfs/dbraw/zinc/59/29/44/596592944.db2.gz JSPVGMNIYWUCRE-LLVKDONJSA-N 2 0 330.354 1.522 20 0 EDADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863642016 596640610 /nfs/dbraw/zinc/64/06/10/596640610.db2.gz IDLMRXRAYZIFFE-SVGFKBNWSA-N 2 0 337.464 1.449 20 0 EDADRP CC[C@H]1C[C@@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863642014 596640682 /nfs/dbraw/zinc/64/06/82/596640682.db2.gz IDLMRXRAYZIFFE-LLLHUVSDSA-N 2 0 337.464 1.449 20 0 EDADRP Cc1ccc(F)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642564 596641436 /nfs/dbraw/zinc/64/14/36/596641436.db2.gz SHMMOKFRXJUKIV-SJORKVTESA-N 2 0 333.407 1.891 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3ccnc3)CC[C@H]21 ZINC000868029935 596660829 /nfs/dbraw/zinc/66/08/29/596660829.db2.gz FORYFKGRTFWGNY-HZPDHXFCSA-N 2 0 340.431 1.503 20 0 EDADRP C/C(=C/c1ccccn1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017145 596709571 /nfs/dbraw/zinc/70/95/71/596709571.db2.gz HEEYXVXWGJVDKH-FAQRCVTKSA-N 2 0 330.476 1.683 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2OC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870018257 596710319 /nfs/dbraw/zinc/71/03/19/596710319.db2.gz YQEJXYKJRIZIBR-KLHDSHLOSA-N 2 0 325.497 1.388 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2[nH]nc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870022898 596713258 /nfs/dbraw/zinc/71/32/58/596713258.db2.gz CZZZARQZYKJSIW-HUUCEWRRSA-N 2 0 343.475 1.303 20 0 EDADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868225595 596734801 /nfs/dbraw/zinc/73/48/01/596734801.db2.gz UYZRYGBTRVHOLL-DLBZAZTESA-N 2 0 344.459 1.288 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242182 596742634 /nfs/dbraw/zinc/74/26/34/596742634.db2.gz FDIUGBBHLWUHNP-XOKHGSTOSA-N 2 0 346.475 1.676 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nccc3c(N)cccc32)C[C@H]1C[NH+](C)C ZINC000866010470 596757002 /nfs/dbraw/zinc/75/70/02/596757002.db2.gz JOVCLEPTRSCWMC-HUUCEWRRSA-N 2 0 327.476 1.993 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868287127 596766914 /nfs/dbraw/zinc/76/69/14/596766914.db2.gz YHBHFPVOLKIBFN-ISXOHVOVSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000868303170 596777946 /nfs/dbraw/zinc/77/79/46/596777946.db2.gz XLDFUQXIZGYTFQ-GASCZTMLSA-N 2 0 332.448 1.320 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868357116 596799410 /nfs/dbraw/zinc/79/94/10/596799410.db2.gz ODNKLALTXIQYER-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000868382758 596814536 /nfs/dbraw/zinc/81/45/36/596814536.db2.gz KLHGNUBRYGFXCP-HOTGVXAUSA-N 2 0 349.523 1.033 20 0 EDADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCCO2)C1)C1CCCC1 ZINC000872156205 596815838 /nfs/dbraw/zinc/81/58/38/596815838.db2.gz GEEDSEULDUTTHV-BPQIPLTHSA-N 2 0 337.508 1.901 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866253814 596838196 /nfs/dbraw/zinc/83/81/96/596838196.db2.gz NGZDEZXHSNABST-KSZLIROESA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc2c(CC[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)c[nH]c2cc1F ZINC000872225688 596843475 /nfs/dbraw/zinc/84/34/75/596843475.db2.gz MVUKFZXWRIOKBA-INIZCTEOSA-N 2 0 348.466 1.356 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000872304987 596875299 /nfs/dbraw/zinc/87/52/99/596875299.db2.gz FCYREHZBWFEMLH-CEXWTWQISA-N 2 0 345.487 1.777 20 0 EDADRP CC(C)[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000866485024 596892530 /nfs/dbraw/zinc/89/25/30/596892530.db2.gz CZGIAQKNTHHCBP-MRXNPFEDSA-N 2 0 333.542 1.614 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CC2(F)F)C[C@H]1C[NH+](C)C ZINC000875757674 596975098 /nfs/dbraw/zinc/97/50/98/596975098.db2.gz IBOJRTRYLWRSCQ-MCIONIFRSA-N 2 0 332.439 1.413 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccc(O)c2)on1 ZINC000874382474 597049759 /nfs/dbraw/zinc/04/97/59/597049759.db2.gz NIWPFPYOZWLKLI-UHFFFAOYSA-N 2 0 346.431 1.613 20 0 EDADRP COCCC1(NC(=O)NC2CC[NH+](C(C)C)CC2)CC[NH2+]CC1 ZINC000874432749 597076654 /nfs/dbraw/zinc/07/66/54/597076654.db2.gz QOGFFARGBJRLSX-UHFFFAOYSA-N 2 0 326.485 1.317 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)c1cccc(F)c1 ZINC000874433221 597076691 /nfs/dbraw/zinc/07/66/91/597076691.db2.gz WBHWNCASWRIPSF-IXDOHACOSA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)[C@H]1CCOC1 ZINC000876098237 597089312 /nfs/dbraw/zinc/08/93/12/597089312.db2.gz NLSPPECNRSOTLW-DLBZAZTESA-N 2 0 340.512 1.326 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000876107365 597092787 /nfs/dbraw/zinc/09/27/87/597092787.db2.gz BRXNJROYUSWGTF-CSLYMUCUSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@@H](C)C1 ZINC000876109927 597094141 /nfs/dbraw/zinc/09/41/41/597094141.db2.gz ZZJLNZXGFVMCKV-WMTDPASSSA-N 2 0 340.512 1.346 20 0 EDADRP Cn1cncc1CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000874511045 597103307 /nfs/dbraw/zinc/10/33/07/597103307.db2.gz KZIQASNBYXVNOA-FXAWDEMLSA-N 2 0 338.455 1.943 20 0 EDADRP O=C([C@@H]1CCn2ccnc2C1)N1CCN[C@@H](c2ccc(F)cc2)C1 ZINC000874889463 597210717 /nfs/dbraw/zinc/21/07/17/597210717.db2.gz KWZUNESBFZCXNG-GDBMZVCRSA-N 2 0 328.391 1.758 20 0 EDADRP CC[C@@H](C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[NH+](C)C ZINC000876519873 597228652 /nfs/dbraw/zinc/22/86/52/597228652.db2.gz BPDQGBCDBATZHF-INIZCTEOSA-N 2 0 333.432 1.874 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@@H](C)C1 ZINC000873218430 597231590 /nfs/dbraw/zinc/23/15/90/597231590.db2.gz GPQMBFADXJLTDY-KBXCAEBGSA-N 3 0 328.464 1.546 20 0 EDADRP C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237677 597236088 /nfs/dbraw/zinc/23/60/88/597236088.db2.gz SRCCUYXYTSVTHQ-GXTWGEPZSA-N 2 0 325.478 1.763 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@@H]2CCC[C@@H]21 ZINC000873245340 597237847 /nfs/dbraw/zinc/23/78/47/597237847.db2.gz ZFHLTVZCUYETCF-FHWLQOOXSA-N 3 0 340.475 1.688 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2C)CCO1 ZINC000873248794 597239710 /nfs/dbraw/zinc/23/97/10/597239710.db2.gz ISGJTWHTPIBDGA-OALUTQOASA-N 2 0 335.492 1.539 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873250543 597240023 /nfs/dbraw/zinc/24/00/23/597240023.db2.gz IAHSDEJRDTZHLJ-OWLYRPNTSA-N 2 0 347.459 1.739 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250140 597240532 /nfs/dbraw/zinc/24/05/32/597240532.db2.gz PHWFZVSUCMGJQY-CJNGLKHVSA-N 2 0 330.432 1.216 20 0 EDADRP CC[C@@H]([NH2+]CCc1ccc(S(=O)(=O)NC)cc1)[C@@H]1CCC[NH2+]1 ZINC000873262267 597241767 /nfs/dbraw/zinc/24/17/67/597241767.db2.gz KZGHINXJOICUGT-CVEARBPZSA-N 2 0 325.478 1.257 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000873267371 597244003 /nfs/dbraw/zinc/24/40/03/597244003.db2.gz YSLGKLQRWWHIMW-MOPGFXCFSA-N 2 0 335.492 1.539 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000873273244 597244579 /nfs/dbraw/zinc/24/45/79/597244579.db2.gz ZOSDTDKDOUQJHT-KBPBESRZSA-N 2 0 339.505 1.990 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876728941 597310158 /nfs/dbraw/zinc/31/01/58/597310158.db2.gz ZYUYLBIMNKJZAM-KGLIPLIRSA-N 2 0 329.485 1.412 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[NH+]2CCCC2)o1 ZINC000876749259 597320788 /nfs/dbraw/zinc/32/07/88/597320788.db2.gz JVFFMWBHJAZFND-OBJOEFQTSA-N 2 0 327.375 1.681 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1(F)F ZINC000876752474 597321788 /nfs/dbraw/zinc/32/17/88/597321788.db2.gz QTUJOTWNZWEYSO-RBSFLKMASA-N 2 0 329.435 1.941 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(COC)C[NH2+]CCO2)C1 ZINC000876762298 597327692 /nfs/dbraw/zinc/32/76/92/597327692.db2.gz FLQYYYJMUPOAQA-QAPCUYQASA-N 2 0 341.496 1.008 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876768475 597331725 /nfs/dbraw/zinc/33/17/25/597331725.db2.gz WBIZVDNMUMGMKD-CIRFHOKZSA-N 2 0 332.492 1.148 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000876773454 597333659 /nfs/dbraw/zinc/33/36/59/597333659.db2.gz REZWHRRBBGRJHX-FZMZJTMJSA-N 2 0 340.265 1.907 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876781375 597338623 /nfs/dbraw/zinc/33/86/23/597338623.db2.gz GWAGRCOYCRHGBK-MWWKQMNYSA-N 2 0 343.475 1.005 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876876328 597365659 /nfs/dbraw/zinc/36/56/59/597365659.db2.gz NWQZRMKSAKBDND-BLLLJJGKSA-N 2 0 343.393 1.803 20 0 EDADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000876881148 597367616 /nfs/dbraw/zinc/36/76/16/597367616.db2.gz CCMIVJYMRGLKJR-SQRWCISFSA-N 2 0 328.460 1.718 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)CCCO1 ZINC000876920221 597385584 /nfs/dbraw/zinc/38/55/84/597385584.db2.gz KNSZNMXNBBOXBT-OLZOCXBDSA-N 2 0 331.338 1.281 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000876960972 597397531 /nfs/dbraw/zinc/39/75/31/597397531.db2.gz BRFHUKURIHCFKB-DLBZAZTESA-N 2 0 330.476 1.783 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000875393276 597411708 /nfs/dbraw/zinc/41/17/08/597411708.db2.gz RYSZVMVLTVMQKE-RBSFLKMASA-N 2 0 346.466 1.945 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877144492 597442801 /nfs/dbraw/zinc/44/28/01/597442801.db2.gz NZMUVJSWVLUGQC-ZHALLVOQSA-N 3 0 344.503 1.419 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000877224567 597466410 /nfs/dbraw/zinc/46/64/10/597466410.db2.gz JHKXZLLFVKLRFK-IEBWSBKVSA-N 2 0 345.487 1.533 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000877258487 597482090 /nfs/dbraw/zinc/48/20/90/597482090.db2.gz NXDXSBQUBAZFEQ-KSSFIOAISA-N 2 0 348.495 1.430 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877274752 597485121 /nfs/dbraw/zinc/48/51/21/597485121.db2.gz XXISXDLGRVUBBB-KBPBESRZSA-N 2 0 334.489 1.885 20 0 EDADRP COCC[N@@H+](Cc1cnc2c(cnn2C)c1)CC1CC[NH+](C)CC1 ZINC000877664864 597545934 /nfs/dbraw/zinc/54/59/34/597545934.db2.gz ZLUZKDVBEJGXBA-UHFFFAOYSA-N 2 0 331.464 1.759 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747584 597552823 /nfs/dbraw/zinc/55/28/23/597552823.db2.gz SBOPYZDPGXXMGD-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP COc1ccc([C@@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000878022063 597569862 /nfs/dbraw/zinc/56/98/62/597569862.db2.gz BDUYVLOLRUHAEV-MRXNPFEDSA-N 2 0 331.460 1.695 20 0 EDADRP COc1ccc2c(c1)CC[N@@H+](CC(=O)NC1CC[NH+](C)CC1)CC2 ZINC000878311723 597594615 /nfs/dbraw/zinc/59/46/15/597594615.db2.gz WDXYWTOTQWIIIM-UHFFFAOYSA-N 2 0 331.460 1.306 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H]3CC=CC[C@@H]3C2)C1 ZINC000879527853 597619556 /nfs/dbraw/zinc/61/95/56/597619556.db2.gz BTJARHLAQUJERF-KSZLIROESA-N 2 0 335.492 1.357 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000881475245 597631779 /nfs/dbraw/zinc/63/17/79/597631779.db2.gz CIOIABPWJQHTSA-QGZVFWFLSA-N 2 0 335.492 1.620 20 0 EDADRP Cn1nc2c(c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CSCC2 ZINC000883111357 597653115 /nfs/dbraw/zinc/65/31/15/597653115.db2.gz BAMVRCBLAMBQES-UHFFFAOYSA-N 2 0 337.537 1.325 20 0 EDADRP CN(CCC[N@H+](C)C[C@H]1CCC2(CCOCC2)O1)CC[NH+](C)C ZINC000878623788 597659748 /nfs/dbraw/zinc/65/97/48/597659748.db2.gz XGVOWYUMMNUSTB-QGZVFWFLSA-N 2 0 327.513 1.530 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCCOC1 ZINC000883169669 597676026 /nfs/dbraw/zinc/67/60/26/597676026.db2.gz AHSHZHVYUQWGCJ-ZWKOTPCHSA-N 2 0 348.491 1.365 20 0 EDADRP C[C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000883332455 597716108 /nfs/dbraw/zinc/71/61/08/597716108.db2.gz VTIKTNQXZCAZMI-CQSZACIVSA-N 2 0 338.496 1.412 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC3CC3)C2)[C@@H](C)C1 ZINC000883394659 597730753 /nfs/dbraw/zinc/73/07/53/597730753.db2.gz DYUSSIKGWSDAMR-SZMVWBNQSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](CCCOC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000883424061 597742011 /nfs/dbraw/zinc/74/20/11/597742011.db2.gz DRQKQPJJBFGLFQ-CHWSQXEVSA-N 2 0 337.386 1.493 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](C(C)(C)O)C1)c1ccccc1 ZINC000879963747 597786649 /nfs/dbraw/zinc/78/66/49/597786649.db2.gz NQCKQDXKJSMRJM-ZWKOTPCHSA-N 2 0 347.503 1.888 20 0 EDADRP COCC[N@@H+](CC(=O)N1C[C@H](C)C[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123224 597826386 /nfs/dbraw/zinc/82/63/86/597826386.db2.gz SYSQWFMBHSTRHG-CALCHBBNSA-N 2 0 339.524 1.781 20 0 EDADRP Cc1nc2nc(C)cc(N(CCC[NH+](C)C)CCC[NH+](C)C)n2n1 ZINC000882049443 597853640 /nfs/dbraw/zinc/85/36/40/597853640.db2.gz UMVVYPIJBUJWDV-UHFFFAOYSA-N 2 0 333.484 1.451 20 0 EDADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248731 597864114 /nfs/dbraw/zinc/86/41/14/597864114.db2.gz ZGHODZDNADQGKZ-UHFFFAOYSA-N 2 0 333.480 1.186 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000884185157 598018043 /nfs/dbraw/zinc/01/80/43/598018043.db2.gz MGAQZTHNEWFBMX-UHFFFAOYSA-N 2 0 331.460 1.985 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000884186193 598018506 /nfs/dbraw/zinc/01/85/06/598018506.db2.gz SOTPDZTZTLODMJ-HZPDHXFCSA-N 2 0 325.497 1.756 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]([NH3+])CC3CC3)ccc2oc1=O ZINC000884206354 598028614 /nfs/dbraw/zinc/02/86/14/598028614.db2.gz SKDPQFXBDNTNLL-CYBMUJFWSA-N 2 0 332.404 1.222 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCC[NH+]1CCC(OC)CC1 ZINC000884228654 598036795 /nfs/dbraw/zinc/03/67/95/598036795.db2.gz VMHNRUSODOUPCZ-UHFFFAOYSA-N 2 0 335.448 1.125 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884266197 598048383 /nfs/dbraw/zinc/04/83/83/598048383.db2.gz INYDABLXIZIPDZ-UHFFFAOYSA-N 2 0 337.427 1.024 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884267399 598048954 /nfs/dbraw/zinc/04/89/54/598048954.db2.gz FHWQIXWDCKDVIH-JHJVBQTASA-N 2 0 326.238 1.835 20 0 EDADRP Cc1nc(C)c(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000884462964 598111927 /nfs/dbraw/zinc/11/19/27/598111927.db2.gz UNJKKRIBIPGMIC-UHFFFAOYSA-N 2 0 331.445 1.746 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000914074383 695069246 /nfs/dbraw/zinc/06/92/46/695069246.db2.gz DKEVCZMABZWINS-ARFHVFGLSA-N 2 0 328.501 1.373 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@H]2C1 ZINC000992764456 695299871 /nfs/dbraw/zinc/29/98/71/695299871.db2.gz BORVESLLWZPVHI-RRQGHBQHSA-N 2 0 328.416 1.157 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1)C[NH+](C)C ZINC000914278007 695326220 /nfs/dbraw/zinc/32/62/20/695326220.db2.gz PDURAUHIBQUKAD-HZPDHXFCSA-N 2 0 328.501 1.374 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](CC)CN2CCOCC2)C1 ZINC000914338536 695369998 /nfs/dbraw/zinc/36/99/98/695369998.db2.gz YJRTZQDRUFVFEM-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CCC2CCOCC2)C1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001015389307 695385113 /nfs/dbraw/zinc/38/51/13/695385113.db2.gz YJEVBBIKDLMJTP-MOPGFXCFSA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000915135005 695747360 /nfs/dbraw/zinc/74/73/60/695747360.db2.gz BFWBINZBWFNABQ-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000916360506 696655116 /nfs/dbraw/zinc/65/51/16/696655116.db2.gz HWVHMIYKRBZQGJ-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(C[C@@H](O)Cc2ccccc2)C1 ZINC001031440021 697108997 /nfs/dbraw/zinc/10/89/97/697108997.db2.gz OJZZIJCUYMBVAK-OALUTQOASA-N 2 0 345.487 1.265 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031579189 697274806 /nfs/dbraw/zinc/27/48/06/697274806.db2.gz DBLUGFFOFYZHPZ-SFHVURJKSA-N 2 0 330.476 1.395 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CC2(Cl)Cl)C1 ZINC001031584598 697280030 /nfs/dbraw/zinc/28/00/30/697280030.db2.gz GSVGJJIOMMTDGJ-QWHCGFSZSA-N 2 0 334.291 1.713 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C)C[C@@H]1CC(C)C ZINC000920417093 697428345 /nfs/dbraw/zinc/42/83/45/697428345.db2.gz IQBGARJGTQOCFI-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001031672457 697476923 /nfs/dbraw/zinc/47/69/23/697476923.db2.gz HAWRLZXLSKBORC-FUHWJXTLSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ccccc1C[NH+]1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031675013 697484357 /nfs/dbraw/zinc/48/43/57/697484357.db2.gz RREUAFFSLCUYES-IBGZPJMESA-N 2 0 327.472 1.885 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675144 697484808 /nfs/dbraw/zinc/48/48/08/697484808.db2.gz WYEXNLQGPSUVHA-MAUKXSAKSA-N 2 0 335.492 1.193 20 0 EDADRP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)C1 ZINC001031688241 697523539 /nfs/dbraw/zinc/52/35/39/697523539.db2.gz BCSRMMRPJXJGFK-SJORKVTESA-N 2 0 335.492 1.334 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2c(C)noc2CC)C1 ZINC001031715037 697738034 /nfs/dbraw/zinc/73/80/34/697738034.db2.gz PDRFTEWQGOPAJX-KRWDZBQOSA-N 2 0 348.491 1.968 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000354405449 698762460 /nfs/dbraw/zinc/76/24/60/698762460.db2.gz NWWSEVXZHNKDFL-OALUTQOASA-N 2 0 345.487 1.876 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)cn1 ZINC001031765457 699051893 /nfs/dbraw/zinc/05/18/93/699051893.db2.gz HKFUCKYSDKMIBP-ROUUACIJSA-N 2 0 345.491 1.028 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031771816 699093711 /nfs/dbraw/zinc/09/37/11/699093711.db2.gz JNUFVFRUZLHICI-SFHVURJKSA-N 2 0 349.450 1.737 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1 ZINC000939054712 699115289 /nfs/dbraw/zinc/11/52/89/699115289.db2.gz NSSXJESABBFOBM-QAPCUYQASA-N 2 0 330.476 1.668 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939133482 699218186 /nfs/dbraw/zinc/21/81/86/699218186.db2.gz RNNAHWCOLMOTJP-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939137051 699223458 /nfs/dbraw/zinc/22/34/58/699223458.db2.gz DPNRXKIYBYFLSL-NVXWUHKLSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1NCc1nncs1 ZINC000939137576 699225105 /nfs/dbraw/zinc/22/51/05/699225105.db2.gz KNHAMSDELCDFMM-QWHCGFSZSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939256882 699433857 /nfs/dbraw/zinc/43/38/57/699433857.db2.gz GEOOXHXKVRPJOE-SWLSCSKDSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nccn1C ZINC000939257369 699434702 /nfs/dbraw/zinc/43/47/02/699434702.db2.gz LYWRPKIZMPUWLR-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939259905 699437880 /nfs/dbraw/zinc/43/78/80/699437880.db2.gz XFCJFHYHQLINCW-DOTOQJQBSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939256126 699448584 /nfs/dbraw/zinc/44/85/84/699448584.db2.gz AUNQASPHGIDFEE-RDTXWAMCSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC001031816619 699517081 /nfs/dbraw/zinc/51/70/81/699517081.db2.gz HIZGSWQCAALTQP-DYVFJYSZSA-N 2 0 328.416 1.563 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939549521 699674783 /nfs/dbraw/zinc/67/47/83/699674783.db2.gz AALYXATVRSEVEW-BBRMVZONSA-N 2 0 342.447 1.131 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939545916 699687790 /nfs/dbraw/zinc/68/77/90/699687790.db2.gz PQGQPYVQNYXODY-CJNGLKHVSA-N 2 0 349.425 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939547043 699689133 /nfs/dbraw/zinc/68/91/33/699689133.db2.gz VZWSYGMZJJQDQD-PBHICJAKSA-N 2 0 331.435 1.858 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)o1 ZINC000939550203 699699059 /nfs/dbraw/zinc/69/90/59/699699059.db2.gz HQFZZYRPSMONKV-MLGOLLRUSA-N 2 0 343.431 1.694 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939552493 699702409 /nfs/dbraw/zinc/70/24/09/699702409.db2.gz ZGVPVMVBLGVOJR-RDJZCZTQSA-N 2 0 345.491 1.496 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939755520 699906503 /nfs/dbraw/zinc/90/65/03/699906503.db2.gz QMQSENVUISLYFK-CZUORRHYSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939757016 699923785 /nfs/dbraw/zinc/92/37/85/699923785.db2.gz WNGKRJJPVCWBOZ-KXBFYZLASA-N 2 0 343.471 1.749 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939757346 699924118 /nfs/dbraw/zinc/92/41/18/699924118.db2.gz XSVCQWBKGGFTSU-HOCLYGCPSA-N 2 0 332.448 1.123 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)C1CC1 ZINC000940148921 700281443 /nfs/dbraw/zinc/28/14/43/700281443.db2.gz GHDXUPQAOWOAOY-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cc(C)n(C)n2)CC1)[NH+](C)C ZINC000940176576 700309215 /nfs/dbraw/zinc/30/92/15/700309215.db2.gz LSJFLMSGMKFITD-MRXNPFEDSA-N 2 0 335.496 1.539 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccnc(OC)c2)CC1)[NH+](C)C ZINC000940177075 700310132 /nfs/dbraw/zinc/31/01/32/700310132.db2.gz VYKUGGYXBXXMBB-MRXNPFEDSA-N 2 0 348.491 1.901 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC000995056319 700405613 /nfs/dbraw/zinc/40/56/13/700405613.db2.gz QUTMLMSHIKDEJM-HOTGVXAUSA-N 2 0 345.491 1.726 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccon2)C1)[NH+]1CCCC1 ZINC000995054446 700416976 /nfs/dbraw/zinc/41/69/76/700416976.db2.gz LWRAPAFVWDNMFF-GJZGRUSLSA-N 2 0 334.464 1.924 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940327780 700505068 /nfs/dbraw/zinc/50/50/68/700505068.db2.gz UAZNFJRCYATOPE-OLZOCXBDSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940328148 700505580 /nfs/dbraw/zinc/50/55/80/700505580.db2.gz GJJLYHFAWLVVBZ-JSGCOSHPSA-N 2 0 335.452 1.046 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940328916 700507304 /nfs/dbraw/zinc/50/73/04/700507304.db2.gz NJAHESDSSILTGK-OAHLLOKOSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940329702 700509667 /nfs/dbraw/zinc/50/96/67/700509667.db2.gz XOHREODQLOYICJ-INIZCTEOSA-N 2 0 330.476 1.894 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000940329685 700509793 /nfs/dbraw/zinc/50/97/93/700509793.db2.gz WXOUHNNIVHRHPD-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000940457803 700661574 /nfs/dbraw/zinc/66/15/74/700661574.db2.gz VSGCMKGKPVAVNM-HNNXBMFYSA-N 2 0 346.475 1.974 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461455 700664469 /nfs/dbraw/zinc/66/44/69/700664469.db2.gz BYLKINRXUUZRPZ-UHFFFAOYSA-N 2 0 348.495 1.173 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000940461626 700664816 /nfs/dbraw/zinc/66/48/16/700664816.db2.gz FWRAWUILJPRZFI-SFHVURJKSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081486 700711991 /nfs/dbraw/zinc/71/19/91/700711991.db2.gz VHCQUHLDOVIYHW-DZGCQCFKSA-N 2 0 335.452 1.094 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]Cc3nccs3)C2)CC1 ZINC000995082796 700727105 /nfs/dbraw/zinc/72/71/05/700727105.db2.gz ZSLNBSXFTLASLN-ZFWWWQNUSA-N 2 0 336.505 1.859 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795679 700914695 /nfs/dbraw/zinc/91/46/95/700914695.db2.gz QQCUITWGCLMQPS-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170183 701676270 /nfs/dbraw/zinc/67/62/70/701676270.db2.gz WJZDWPAZRDUCQO-OLZOCXBDSA-N 2 0 335.477 1.008 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCC1 ZINC000940945251 701010786 /nfs/dbraw/zinc/01/07/86/701010786.db2.gz ZJWPFSQGWJWWSN-HNNXBMFYSA-N 2 0 325.497 1.460 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)C1 ZINC001031918814 701037434 /nfs/dbraw/zinc/03/74/34/701037434.db2.gz IAYHDXWXNKYIPE-AEFFLSMTSA-N 2 0 337.508 1.583 20 0 EDADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217422 701403864 /nfs/dbraw/zinc/40/38/64/701403864.db2.gz OPJLTVCIVQCXHL-DLBZAZTESA-N 2 0 347.507 1.131 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941220534 701410890 /nfs/dbraw/zinc/41/08/90/701410890.db2.gz FXWVBKHRPZLSHA-MRXNPFEDSA-N 2 0 333.480 1.233 20 0 EDADRP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1)OC ZINC000946518374 706602259 /nfs/dbraw/zinc/60/22/59/706602259.db2.gz RQWVHNYAGUWLHR-XMTFNYHQSA-N 2 0 337.508 1.676 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456923 701543212 /nfs/dbraw/zinc/54/32/12/701543212.db2.gz VZBSZHXBXURWHW-WMZOPIPTSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]([NH2+]CCC3CC3)C2)n1 ZINC000999184015 706612428 /nfs/dbraw/zinc/61/24/28/706612428.db2.gz YTCBYGFZFSULAN-MRXNPFEDSA-N 2 0 333.480 1.439 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)cn1 ZINC001032129103 701810026 /nfs/dbraw/zinc/81/00/26/701810026.db2.gz QQFYVPPYVLIRLT-QZTJIDSGSA-N 2 0 347.507 1.131 20 0 EDADRP CCN1CCO[C@H](C(=O)NCC2C[NH+](CCc3ccccc3F)C2)C1 ZINC001032201510 701832987 /nfs/dbraw/zinc/83/29/87/701832987.db2.gz GJZOKLGVGPKPFT-SFHVURJKSA-N 2 0 349.450 1.137 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000999177769 706621118 /nfs/dbraw/zinc/62/11/18/706621118.db2.gz ZAKJWLWZERDYPB-ZBFHGGJFSA-N 2 0 348.447 1.106 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001032204657 701990346 /nfs/dbraw/zinc/99/03/46/701990346.db2.gz BINKYQPCQGCNAW-GOSISDBHSA-N 2 0 345.487 1.979 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191299 706634157 /nfs/dbraw/zinc/63/41/57/706634157.db2.gz XFEXVCPBIUVQKJ-HZSPNIEDSA-N 2 0 337.493 1.267 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](CCn3cccn3)C2)c1 ZINC001032205350 702055960 /nfs/dbraw/zinc/05/59/60/702055960.db2.gz WLYSIOQGRXAGMJ-UHFFFAOYSA-N 2 0 341.459 1.307 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)on1 ZINC000995825808 702098262 /nfs/dbraw/zinc/09/82/62/702098262.db2.gz SACHOVRTCIJZJG-SJORKVTESA-N 2 0 346.475 1.651 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)n1 ZINC000995817773 702134291 /nfs/dbraw/zinc/13/42/91/702134291.db2.gz ZYIUGIVSCAQEMF-QGZVFWFLSA-N 2 0 347.507 1.685 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001032207131 702174952 /nfs/dbraw/zinc/17/49/52/702174952.db2.gz YEVQKECWSJVVHH-INIZCTEOSA-N 2 0 345.487 1.836 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893693 702195261 /nfs/dbraw/zinc/19/52/61/702195261.db2.gz IRGXJSWRIGZPIK-IAGOWNOFSA-N 2 0 347.507 1.395 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899458 702204848 /nfs/dbraw/zinc/20/48/48/702204848.db2.gz WGBRZQZVBQCFPE-JKSUJKDBSA-N 2 0 333.480 1.087 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)cn1 ZINC000995884520 702218639 /nfs/dbraw/zinc/21/86/39/702218639.db2.gz GAOWULDMFKGDKA-INIZCTEOSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995889564 702230071 /nfs/dbraw/zinc/23/00/71/702230071.db2.gz WNPJHOORJLHGRE-HNNXBMFYSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995919338 702239479 /nfs/dbraw/zinc/23/94/79/702239479.db2.gz YZMBKJZLOYODTL-IRXDYDNUSA-N 2 0 347.507 1.621 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995921737 702244405 /nfs/dbraw/zinc/24/44/05/702244405.db2.gz XVOXRRZXDLVBKB-INIZCTEOSA-N 2 0 347.507 1.714 20 0 EDADRP COc1ccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186806 702284922 /nfs/dbraw/zinc/28/49/22/702284922.db2.gz XFGCOCUGHRHMAY-MRXNPFEDSA-N 2 0 347.459 1.074 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999223880 706657807 /nfs/dbraw/zinc/65/78/07/706657807.db2.gz OCSRDOUDPNOMFA-KLAILNCOSA-N 2 0 337.508 1.866 20 0 EDADRP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186097 702315351 /nfs/dbraw/zinc/31/53/51/702315351.db2.gz IKVSKPIMXADSFJ-RHSMWYFYSA-N 2 0 331.460 1.756 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995986672 702349595 /nfs/dbraw/zinc/34/95/95/702349595.db2.gz ZETPQNPACUCCGU-HOTGVXAUSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995972950 702357625 /nfs/dbraw/zinc/35/76/25/702357625.db2.gz FJMJTEDYCUOBFJ-JKSUJKDBSA-N 2 0 333.480 1.231 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995973040 702357946 /nfs/dbraw/zinc/35/79/46/702357946.db2.gz FQZAHLIQWNGPIP-ZIAGYGMSSA-N 2 0 337.493 1.349 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC000999210110 706662993 /nfs/dbraw/zinc/66/29/93/706662993.db2.gz TZHACWCQHUSBDM-OKZBNKHCSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)on1 ZINC000995999251 702378872 /nfs/dbraw/zinc/37/88/72/702378872.db2.gz TZOAPZQOMBTKKJ-INIZCTEOSA-N 2 0 346.475 1.938 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154124 702443415 /nfs/dbraw/zinc/44/34/15/702443415.db2.gz KCQMKXMEMDPZQP-NVXWUHKLSA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)CC1 ZINC000996223228 702633222 /nfs/dbraw/zinc/63/32/22/702633222.db2.gz PKCDAPIHITUOFB-HNNXBMFYSA-N 2 0 336.505 1.812 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996224500 702634056 /nfs/dbraw/zinc/63/40/56/702634056.db2.gz WNJDUDOEWKOLGP-DOTOQJQBSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1)[NH+](C)C ZINC000996250164 702651977 /nfs/dbraw/zinc/65/19/77/702651977.db2.gz VDJFARVOINYHMI-ZIAGYGMSSA-N 2 0 339.509 1.451 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996293116 702685391 /nfs/dbraw/zinc/68/53/91/702685391.db2.gz BIDQPCJVUBZTTF-CZUORRHYSA-N 2 0 334.464 1.794 20 0 EDADRP CCCn1ncnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995211168 702686633 /nfs/dbraw/zinc/68/66/33/702686633.db2.gz NMSBKFJMEGMJSY-HZPDHXFCSA-N 2 0 348.495 1.158 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302674 702694595 /nfs/dbraw/zinc/69/45/95/702694595.db2.gz YRHWRBZSQJPFCE-DZGCQCFKSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)o1 ZINC000996302771 702694704 /nfs/dbraw/zinc/69/47/04/702694704.db2.gz ZCJBHANCAXTPTD-SUMWQHHRSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302772 702694891 /nfs/dbraw/zinc/69/48/91/702694891.db2.gz ZGEKPYFXXQTAIB-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2OC)C(C)(C)C1)[NH+](C)C ZINC000996315929 702704069 /nfs/dbraw/zinc/70/40/69/702704069.db2.gz UQSPBYSOKRKYNB-JKSUJKDBSA-N 2 0 348.491 1.757 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205414 702710605 /nfs/dbraw/zinc/71/06/05/702710605.db2.gz SBRIDBNMNMZKPI-CXAGYDPISA-N 2 0 330.432 1.729 20 0 EDADRP Cc1nocc1C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257439 702748388 /nfs/dbraw/zinc/74/83/88/702748388.db2.gz LLADKHPSIPTDRR-PBHICJAKSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@@H]1CCCCO1 ZINC000996520252 702856180 /nfs/dbraw/zinc/85/61/80/702856180.db2.gz ORWRUDMLGKCLHF-JKSUJKDBSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996560600 702879148 /nfs/dbraw/zinc/87/91/48/702879148.db2.gz KSCLURDULGWRCD-QGZVFWFLSA-N 2 0 346.475 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnc(C)nc3)CC2)CC[N@@H+]1C ZINC000996604125 702913826 /nfs/dbraw/zinc/91/38/26/702913826.db2.gz RFKFRKFWSNBGIW-ZWKOTPCHSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610036 702921042 /nfs/dbraw/zinc/92/10/42/702921042.db2.gz JAYTUSUSSIRFPK-TZMCWYRMSA-N 2 0 337.493 1.125 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996615011 702922231 /nfs/dbraw/zinc/92/22/31/702922231.db2.gz ONGQDAJTWHCHIZ-IRXDYDNUSA-N 2 0 347.507 1.224 20 0 EDADRP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000996618349 702924930 /nfs/dbraw/zinc/92/49/30/702924930.db2.gz FLFWVMOXAMRKJI-QZTJIDSGSA-N 2 0 349.519 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996644193 702946609 /nfs/dbraw/zinc/94/66/09/702946609.db2.gz HCBLEXWTZOYJAQ-GOSISDBHSA-N 2 0 347.507 1.418 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000996663957 702962029 /nfs/dbraw/zinc/96/20/29/702962029.db2.gz BOFOMVVDARUMQA-UHFFFAOYSA-N 2 0 337.493 1.411 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996664293 702966420 /nfs/dbraw/zinc/96/64/20/702966420.db2.gz UKTSOKWMSNDAJB-HOCLYGCPSA-N 2 0 348.495 1.331 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000996665765 702968170 /nfs/dbraw/zinc/96/81/70/702968170.db2.gz ZFEMVILHBOTBQB-XJKSGUPXSA-N 2 0 348.495 1.629 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)[nH]1 ZINC000996672194 702973229 /nfs/dbraw/zinc/97/32/29/702973229.db2.gz LJBPMGVYHPTTNX-LBPRGKRZSA-N 2 0 334.468 1.239 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000996691133 702988612 /nfs/dbraw/zinc/98/86/12/702988612.db2.gz SHNGGYJHASOJDU-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996715245 703010211 /nfs/dbraw/zinc/01/02/11/703010211.db2.gz DZGZLQJVJUDZER-HZPDHXFCSA-N 2 0 333.436 1.167 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996723487 703018339 /nfs/dbraw/zinc/01/83/39/703018339.db2.gz NIAPONSAGQFNBF-GOSISDBHSA-N 2 0 345.491 1.394 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996727670 703022573 /nfs/dbraw/zinc/02/25/73/703022573.db2.gz IAVOTFTXNIAUSI-KRWDZBQOSA-N 2 0 333.480 1.293 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000942537403 703038045 /nfs/dbraw/zinc/03/80/45/703038045.db2.gz AJEVDQPFIJABGE-MAUKXSAKSA-N 2 0 342.443 1.959 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001032026392 703053619 /nfs/dbraw/zinc/05/36/19/703053619.db2.gz CUTIMHPQBROWLJ-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996765171 703053786 /nfs/dbraw/zinc/05/37/86/703053786.db2.gz UIKCBAKCOYOIFH-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1cnccn1 ZINC000996769426 703060527 /nfs/dbraw/zinc/06/05/27/703060527.db2.gz FXIQDFUMALARSL-OAHLLOKOSA-N 2 0 343.475 1.747 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)cn1 ZINC000996798361 703090467 /nfs/dbraw/zinc/09/04/67/703090467.db2.gz NHJCGSQZHZNVCQ-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867078 703139877 /nfs/dbraw/zinc/13/98/77/703139877.db2.gz BLKZRVKEGKETRH-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996868347 703140952 /nfs/dbraw/zinc/14/09/52/703140952.db2.gz QDOYUUPGBMMKPF-UHFFFAOYSA-N 2 0 347.507 1.684 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000996922168 703193183 /nfs/dbraw/zinc/19/31/83/703193183.db2.gz NGQFEVJXOOZQSF-XYJFISCASA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)[NH+](C)C ZINC000996978962 703234075 /nfs/dbraw/zinc/23/40/75/703234075.db2.gz PUDLFEUMVVDJAL-QGZVFWFLSA-N 2 0 336.455 1.888 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000996998422 703255669 /nfs/dbraw/zinc/25/56/69/703255669.db2.gz JDOLKYOZLDMEMT-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000997002638 703259167 /nfs/dbraw/zinc/25/91/67/703259167.db2.gz XQPUCHCXGZAINS-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000997005374 703262845 /nfs/dbraw/zinc/26/28/45/703262845.db2.gz IDMWNLRENWNEDM-HIFRSBDPSA-N 2 0 334.464 1.966 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC000997006177 703263575 /nfs/dbraw/zinc/26/35/75/703263575.db2.gz FFZCENCLJIVFJS-FZMZJTMJSA-N 2 0 337.493 1.125 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)s1 ZINC000997008383 703266047 /nfs/dbraw/zinc/26/60/47/703266047.db2.gz LTHUEINQIXLYOE-MLGOLLRUSA-N 2 0 336.505 1.730 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997009144 703269727 /nfs/dbraw/zinc/26/97/27/703269727.db2.gz YHGKIOZHKSNDBO-MRXNPFEDSA-N 2 0 347.507 1.368 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997059511 703304923 /nfs/dbraw/zinc/30/49/23/703304923.db2.gz DOOLXXMHNQMXQW-SFHVURJKSA-N 2 0 347.507 1.764 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1)C(N)=O ZINC000997064106 703308860 /nfs/dbraw/zinc/30/88/60/703308860.db2.gz SYOGDXQNVWHFSU-GOEBONIOSA-N 2 0 338.496 1.095 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1cccc(C(=O)N(C)C)c1)N1CC[NH+](C)CC1 ZINC000921522337 703357645 /nfs/dbraw/zinc/35/76/45/703357645.db2.gz PVISOEFJNMATND-LJQANCHMSA-N 2 0 346.519 1.750 20 0 EDADRP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001060801146 703410603 /nfs/dbraw/zinc/41/06/03/703410603.db2.gz QWLAOLWSDIXWFO-WKILWMFISA-N 2 0 340.512 1.071 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000997172363 703454086 /nfs/dbraw/zinc/45/40/86/703454086.db2.gz ZAPMUXSIBZYOME-WBVHZDCISA-N 2 0 325.497 1.602 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000997181487 703466283 /nfs/dbraw/zinc/46/62/83/703466283.db2.gz AYUKSCUWBGBTMH-MRXNPFEDSA-N 2 0 330.476 1.812 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3nnc(C4CC4)[nH]3)CC2)C1 ZINC000997182588 703467526 /nfs/dbraw/zinc/46/75/26/703467526.db2.gz GXDOAMXYPPYSEB-CYBMUJFWSA-N 2 0 346.479 1.105 20 0 EDADRP O=C(N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1)C12CC[NH+](CC1)C2 ZINC000997188706 703478498 /nfs/dbraw/zinc/47/84/98/703478498.db2.gz QLKJOGMLRGOVSW-UHFFFAOYSA-N 2 0 344.459 1.728 20 0 EDADRP CC(C)c1ocnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997298318 703556169 /nfs/dbraw/zinc/55/61/69/703556169.db2.gz IFOCBBMQJYHOLK-CQSZACIVSA-N 2 0 334.464 1.830 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000997299523 703556797 /nfs/dbraw/zinc/55/67/97/703556797.db2.gz OWWKQFIGPAQKHF-FUHWJXTLSA-N 2 0 337.508 1.460 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cccc(Cl)n3)CC2)C1 ZINC000997299494 703556888 /nfs/dbraw/zinc/55/68/88/703556888.db2.gz OHWKPRIBIOXODP-ZDUSSCGKSA-N 2 0 336.867 1.767 20 0 EDADRP Cc1nccn1CC(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1 ZINC000997310077 703567293 /nfs/dbraw/zinc/56/72/93/703567293.db2.gz NPHJJTZYCFXIFK-CQSZACIVSA-N 2 0 342.447 1.632 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997359724 703590427 /nfs/dbraw/zinc/59/04/27/703590427.db2.gz JISBKUSXYPXAIJ-GJZGRUSLSA-N 2 0 333.480 1.374 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000997366691 703600559 /nfs/dbraw/zinc/60/05/59/703600559.db2.gz JRRVPZSCHMESTP-NVXWUHKLSA-N 2 0 345.491 1.993 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2=CCCCC2)CC1 ZINC001032705632 706755883 /nfs/dbraw/zinc/75/58/83/706755883.db2.gz CTWDKBNBMTYXRW-ROUUACIJSA-N 2 0 347.503 1.883 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCC2)CC1 ZINC001032705796 706756274 /nfs/dbraw/zinc/75/62/74/706756274.db2.gz KUQQUFNVJGYWPB-ROUUACIJSA-N 2 0 349.519 1.963 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1 ZINC001032520628 703961421 /nfs/dbraw/zinc/96/14/21/703961421.db2.gz ADBXLLJUBKJGEC-WBAXXEDZSA-N 2 0 340.427 1.660 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1 ZINC001004208070 703967833 /nfs/dbraw/zinc/96/78/33/703967833.db2.gz KQXBCSIKWPMGFO-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033081477 704136806 /nfs/dbraw/zinc/13/68/06/704136806.db2.gz JUCJZAWXNILTEH-SJLPKXTDSA-N 2 0 337.508 1.556 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033080209 704145532 /nfs/dbraw/zinc/14/55/32/704145532.db2.gz FOUSUMSFYWAFBD-RDJZCZTQSA-N 2 0 348.516 1.560 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004436659 704411119 /nfs/dbraw/zinc/41/11/19/704411119.db2.gz HBIYEDVTRHYDEF-RTBURBONSA-N 2 0 349.519 1.414 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997780184 704682461 /nfs/dbraw/zinc/68/24/61/704682461.db2.gz ITXMDNQTUHGUQV-NVXWUHKLSA-N 2 0 347.463 1.272 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997783021 704687556 /nfs/dbraw/zinc/68/75/56/704687556.db2.gz BOLLGULZVRFGEQ-KRWDZBQOSA-N 2 0 343.475 1.147 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997783815 704694388 /nfs/dbraw/zinc/69/43/88/704694388.db2.gz KJQOUEJLSXSDMF-KRWDZBQOSA-N 2 0 346.475 1.653 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CC1 ZINC000997829645 704748153 /nfs/dbraw/zinc/74/81/53/704748153.db2.gz BDOPDFOAFBLMOL-SJLPKXTDSA-N 2 0 337.508 1.581 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997828179 704749094 /nfs/dbraw/zinc/74/90/94/704749094.db2.gz GJQXCZXVWRBBSM-WMZOPIPTSA-N 2 0 339.524 1.850 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1)C1CC1 ZINC000997830695 704750915 /nfs/dbraw/zinc/75/09/15/704750915.db2.gz MGBYFSRAOFXYET-MRXNPFEDSA-N 2 0 336.505 1.812 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997866902 704772131 /nfs/dbraw/zinc/77/21/31/704772131.db2.gz WKRNOOFQXLWXOT-INIZCTEOSA-N 2 0 333.480 1.233 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944945225 704798299 /nfs/dbraw/zinc/79/82/99/704798299.db2.gz QDINOOWHADVKHS-NVXWUHKLSA-N 2 0 346.475 1.513 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H](C)C1 ZINC000945092151 705061810 /nfs/dbraw/zinc/06/18/10/705061810.db2.gz PPZGVUVEDXMIPF-CRAIPNDOSA-N 2 0 333.476 1.835 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)CC1 ZINC000998029063 705212247 /nfs/dbraw/zinc/21/22/47/705212247.db2.gz XCMRJQHHXULNJI-UHFFFAOYSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)C1 ZINC000998080940 705300693 /nfs/dbraw/zinc/30/06/93/705300693.db2.gz GDMZOGDKWXKMCA-OAHLLOKOSA-N 2 0 333.480 1.090 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC000998082171 705308742 /nfs/dbraw/zinc/30/87/42/705308742.db2.gz NZCUQMHETNYCPS-JKSUJKDBSA-N 2 0 345.491 1.708 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998083011 705310741 /nfs/dbraw/zinc/31/07/41/705310741.db2.gz SOYRFKCTIRKNLL-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998100506 705341920 /nfs/dbraw/zinc/34/19/20/705341920.db2.gz YTGHXWCLJHUIOU-OKZBNKHCSA-N 2 0 339.524 1.802 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCOCC2)CC1 ZINC001032603292 705427350 /nfs/dbraw/zinc/42/73/50/705427350.db2.gz VXJFKJCRPNEWGO-OALUTQOASA-N 2 0 349.519 1.820 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998265350 705632466 /nfs/dbraw/zinc/63/24/66/705632466.db2.gz LRDNJALCHVNGES-MRXNPFEDSA-N 2 0 331.464 1.065 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000998286884 705676558 /nfs/dbraw/zinc/67/65/58/705676558.db2.gz MAYKMSMEKIUYIK-UHFFFAOYSA-N 2 0 347.507 1.624 20 0 EDADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629598 705752563 /nfs/dbraw/zinc/75/25/63/705752563.db2.gz FNPSLSJGCYFNSW-SNRMKQJTSA-N 2 0 345.487 1.724 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CCCOC2)C1 ZINC001032629697 705754472 /nfs/dbraw/zinc/75/44/72/705754472.db2.gz JAMJENHYRKBTDK-IKGGRYGDSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998779371 706220301 /nfs/dbraw/zinc/22/03/01/706220301.db2.gz ATNYRMVDSJZXHK-CTWPCTMYSA-N 2 0 342.487 1.811 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cncc(F)c3)C2)CC[N@@H+]1C ZINC000998798108 706245158 /nfs/dbraw/zinc/24/51/58/706245158.db2.gz YCXVPTFTCFEAGD-BOSFTKNMSA-N 2 0 334.439 1.640 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998902655 706339521 /nfs/dbraw/zinc/33/95/21/706339521.db2.gz WMKNCYDPRVVEOU-LXPRWKDFSA-N 2 0 347.507 1.725 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)ncn1 ZINC000999051861 706472666 /nfs/dbraw/zinc/47/26/66/706472666.db2.gz UGQRWOUCKXZGQP-UHFFFAOYSA-N 2 0 343.475 1.492 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC000999349757 706861866 /nfs/dbraw/zinc/86/18/66/706861866.db2.gz UNERXTHZQWPKDK-DLBZAZTESA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999377908 706872028 /nfs/dbraw/zinc/87/20/28/706872028.db2.gz ONXKHFNSFJASTR-HZPDHXFCSA-N 2 0 345.491 1.911 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999403598 706912361 /nfs/dbraw/zinc/91/23/61/706912361.db2.gz RPKKICKDVYFCFO-UHFFFAOYSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999507867 707005271 /nfs/dbraw/zinc/00/52/71/707005271.db2.gz CLWAYKQKXVRZBL-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999515832 707014971 /nfs/dbraw/zinc/01/49/71/707014971.db2.gz YUIJIHVOMFMDON-DOTOQJQBSA-N 2 0 331.464 1.350 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697753 707154919 /nfs/dbraw/zinc/15/49/19/707154919.db2.gz XZCUZABCQSUKMU-GDAAHCPNSA-N 2 0 349.519 1.412 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999681510 707166576 /nfs/dbraw/zinc/16/65/76/707166576.db2.gz HJTIXYGXOHRPKI-OOHWJJMZSA-N 2 0 333.480 1.149 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)nn1 ZINC000999683001 707189698 /nfs/dbraw/zinc/18/96/98/707189698.db2.gz URKGWVCCFIFKNF-HPUBIQBYSA-N 2 0 348.495 1.280 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999703327 707234395 /nfs/dbraw/zinc/23/43/95/707234395.db2.gz DVCWOTOIUKOJBI-WBVHZDCISA-N 2 0 342.443 1.955 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779625 707244539 /nfs/dbraw/zinc/24/45/39/707244539.db2.gz QWDXDXJCFOIDOY-XDNAFOTISA-N 2 0 337.508 1.676 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccnn3C)C[C@H]2CC1)[NH+](C)C ZINC000946784861 707315470 /nfs/dbraw/zinc/31/54/70/707315470.db2.gz XUPVVXHEMQSKQX-JZXOWHBKSA-N 2 0 347.507 1.431 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999794833 707366187 /nfs/dbraw/zinc/36/61/87/707366187.db2.gz WEQMARIMTLWZKR-WMZOPIPTSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999870597 707512617 /nfs/dbraw/zinc/51/26/17/707512617.db2.gz NPZLSHFKCPHEQR-IPJUCJBFSA-N 2 0 345.487 1.977 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000999876222 707523009 /nfs/dbraw/zinc/52/30/09/707523009.db2.gz IMERAXBLRRTHLO-VMBOVVBDSA-N 2 0 334.464 1.936 20 0 EDADRP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000999876237 707523353 /nfs/dbraw/zinc/52/33/53/707523353.db2.gz IYUZWPSCKIYCBK-DQPZFDDXSA-N 2 0 348.495 1.251 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946815833 707566194 /nfs/dbraw/zinc/56/61/94/707566194.db2.gz QTDARQPXKWCAMN-CALCHBBNSA-N 2 0 347.507 1.639 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001033357895 707677307 /nfs/dbraw/zinc/67/73/07/707677307.db2.gz DANRWVJTQAUPDS-ULQDDVLXSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001033358952 707683535 /nfs/dbraw/zinc/68/35/35/707683535.db2.gz RUDYNZRNJOWZIC-RYQLBKOJSA-N 2 0 347.507 1.226 20 0 EDADRP CN(C)C(=O)c1cccc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000921691382 707750295 /nfs/dbraw/zinc/75/02/95/707750295.db2.gz VRBIHAADZWAZBS-KRWDZBQOSA-N 2 0 346.475 1.065 20 0 EDADRP CC(C)[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001004980607 707823534 /nfs/dbraw/zinc/82/35/34/707823534.db2.gz ALEVAKDULKBJEK-DOTOQJQBSA-N 2 0 325.497 1.865 20 0 EDADRP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004991315 707855437 /nfs/dbraw/zinc/85/54/37/707855437.db2.gz LFGANTVVRXCLQG-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[NH+](C)C ZINC001000224863 707887166 /nfs/dbraw/zinc/88/71/66/707887166.db2.gz INKVQNYTAUQSKE-YJBOKZPZSA-N 2 0 347.507 1.640 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccc(F)cc2)C1 ZINC001032780991 707965983 /nfs/dbraw/zinc/96/59/83/707965983.db2.gz GIJBRHJPJRLBJG-PVAVHDDUSA-N 2 0 347.434 1.441 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccccc2)C1 ZINC001032781512 707968745 /nfs/dbraw/zinc/96/87/45/707968745.db2.gz YBROFGOULIEYSU-IKGGRYGDSA-N 2 0 329.444 1.302 20 0 EDADRP COCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001000920160 708076651 /nfs/dbraw/zinc/07/66/51/708076651.db2.gz SHDWBHYNTDGBKJ-RTBURBONSA-N 2 0 345.487 1.865 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546853 708176019 /nfs/dbraw/zinc/17/60/19/708176019.db2.gz GZLMRBIMTALYNS-DOTOQJQBSA-N 2 0 325.497 1.674 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033580719 708261526 /nfs/dbraw/zinc/26/15/26/708261526.db2.gz HOCYETIPLQGDQY-RBUKOAKNSA-N 2 0 345.487 1.553 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033595302 708298366 /nfs/dbraw/zinc/29/83/66/708298366.db2.gz RTUMYDKGSXGMBI-CVEARBPZSA-N 2 0 348.491 1.920 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C ZINC001033663472 708443645 /nfs/dbraw/zinc/44/36/45/708443645.db2.gz VYKCEBHHGHXKJR-QZTJIDSGSA-N 2 0 345.487 1.988 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033659180 708470206 /nfs/dbraw/zinc/47/02/06/708470206.db2.gz BTVRPNAEZLZDSN-JKSUJKDBSA-N 2 0 349.450 1.689 20 0 EDADRP CCOC1CC(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001002043566 708534145 /nfs/dbraw/zinc/53/41/45/708534145.db2.gz RZYJMWMSZWFXAL-UHFFFAOYSA-N 2 0 349.519 1.726 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccnn2C)CC1 ZINC001002154975 708669696 /nfs/dbraw/zinc/66/96/96/708669696.db2.gz DCMXGHLMUAWIRQ-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001033778256 708706377 /nfs/dbraw/zinc/70/63/77/708706377.db2.gz ZAMWHQQMSSNTOR-QZTJIDSGSA-N 2 0 330.476 1.907 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C1=CC[NH+](C)CC1 ZINC000921878009 708774479 /nfs/dbraw/zinc/77/44/79/708774479.db2.gz JNLLHNMNSPIVRN-YOEHRIQHSA-N 2 0 336.480 1.189 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCCC1 ZINC001002472642 709006322 /nfs/dbraw/zinc/00/63/22/709006322.db2.gz CKMBEGFROQOMCG-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](CCOC)C1 ZINC001034004275 709243600 /nfs/dbraw/zinc/24/36/00/709243600.db2.gz KZOZXWJIJBPHHF-KRWDZBQOSA-N 2 0 325.497 1.676 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001034040164 709273539 /nfs/dbraw/zinc/27/35/39/709273539.db2.gz PRVOPFLPURFMKR-QZTJIDSGSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001034044875 709296817 /nfs/dbraw/zinc/29/68/17/709296817.db2.gz FLPIYEWKIHBYRR-GOSISDBHSA-N 2 0 333.476 1.931 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](Cc2ccc(CO)cc2)C1 ZINC001034132717 709403184 /nfs/dbraw/zinc/40/31/84/709403184.db2.gz UQEVYKGTMCZXBI-OALUTQOASA-N 2 0 345.487 1.744 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCCF)C2)n1 ZINC001034210520 709561121 /nfs/dbraw/zinc/56/11/21/709561121.db2.gz PRWJLQGTOGWSIF-OAHLLOKOSA-N 2 0 339.459 1.389 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002996053 709744485 /nfs/dbraw/zinc/74/44/85/709744485.db2.gz VEHMYNKNOLRKEW-JKSUJKDBSA-N 2 0 325.497 1.580 20 0 EDADRP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001003009641 709795539 /nfs/dbraw/zinc/79/55/39/709795539.db2.gz YSURWOSJDYGQLZ-QGZVFWFLSA-N 2 0 341.471 1.570 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034378285 709899490 /nfs/dbraw/zinc/89/94/90/709899490.db2.gz QWSAHJQPRJNSMT-GOSISDBHSA-N 2 0 347.507 1.275 20 0 EDADRP CCn1nncc1CN1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034387209 709916123 /nfs/dbraw/zinc/91/61/23/709916123.db2.gz WYAGLDULBOYDGE-MRXNPFEDSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)C1 ZINC001034393886 709929094 /nfs/dbraw/zinc/92/90/94/709929094.db2.gz HHWNUAPCVVHEMU-IRXDYDNUSA-N 2 0 347.507 1.275 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001003070394 709935277 /nfs/dbraw/zinc/93/52/77/709935277.db2.gz KXYOHZITYQHNJN-NUEKZKHPSA-N 2 0 332.448 1.520 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)[NH+]1CCCCCC1 ZINC001034439639 710015974 /nfs/dbraw/zinc/01/59/74/710015974.db2.gz WJCMYLSJNNGFQG-SJORKVTESA-N 2 0 325.497 1.604 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034526187 710177642 /nfs/dbraw/zinc/17/76/42/710177642.db2.gz VNWQPCORRRAIQJ-HZPDHXFCSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001034647505 710323990 /nfs/dbraw/zinc/32/39/90/710323990.db2.gz JIAQATOLVVXZML-DUQPFJRNSA-N 2 0 337.508 1.913 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001003740852 710520620 /nfs/dbraw/zinc/52/06/20/710520620.db2.gz LJPMPVYAQIDTMY-FXAWDEMLSA-N 2 0 349.519 1.726 20 0 EDADRP CC[C@@H](F)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003778051 710557443 /nfs/dbraw/zinc/55/74/43/710557443.db2.gz YENMULBTNZFUJU-OAHLLOKOSA-N 2 0 339.459 1.387 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034658774 710587595 /nfs/dbraw/zinc/58/75/95/710587595.db2.gz FSHBCJJNSJEIRK-BRWVUGGUSA-N 2 0 347.507 1.812 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001034722080 710889469 /nfs/dbraw/zinc/88/94/69/710889469.db2.gz VVLNBYALTHYLGE-RCBQFDQVSA-N 2 0 349.479 1.798 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)nc1 ZINC001034733351 710913659 /nfs/dbraw/zinc/91/36/59/710913659.db2.gz AOVGCDDFQXJIGW-XIRDDKMYSA-N 2 0 345.491 1.644 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032969392 711047905 /nfs/dbraw/zinc/04/79/05/711047905.db2.gz WKIHRVBEJKZZDT-RBUKOAKNSA-N 2 0 345.487 1.960 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034775723 711050369 /nfs/dbraw/zinc/05/03/69/711050369.db2.gz HITGGEWECJALMZ-DJIMGWMZSA-N 2 0 334.464 1.842 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034790913 711103627 /nfs/dbraw/zinc/10/36/27/711103627.db2.gz BAOQSTPYHHCQER-BZUAXINKSA-N 2 0 346.475 1.559 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001034790909 711103730 /nfs/dbraw/zinc/10/37/30/711103730.db2.gz AUPSSEGIHILQAI-MGPQQGTHSA-N 2 0 337.493 1.315 20 0 EDADRP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794630 711111426 /nfs/dbraw/zinc/11/14/26/711111426.db2.gz LMUHEYXLYFMJTE-WKILWMFISA-N 2 0 348.495 1.472 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001003977911 711152060 /nfs/dbraw/zinc/15/20/60/711152060.db2.gz ZLOXIPQZAJKNRG-HNNXBMFYSA-N 2 0 334.464 1.714 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)cn1 ZINC001034812540 711182870 /nfs/dbraw/zinc/18/28/70/711182870.db2.gz NESYERIBPSLKKQ-SFHVURJKSA-N 2 0 341.459 1.420 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC001003985179 711188332 /nfs/dbraw/zinc/18/83/32/711188332.db2.gz LAFHNKFPEANZOF-UHFFFAOYSA-N 2 0 345.491 1.176 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1nccn1C(F)F ZINC001034881917 711282542 /nfs/dbraw/zinc/28/25/42/711282542.db2.gz PNAMYFJPJCJTLA-CHWSQXEVSA-N 2 0 341.406 1.453 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC001034958181 711431027 /nfs/dbraw/zinc/43/10/27/711431027.db2.gz CSBQNSPBUDDAKA-JKSUJKDBSA-N 2 0 348.495 1.159 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034959514 711434451 /nfs/dbraw/zinc/43/44/51/711434451.db2.gz ZUBBQZACCXXMAU-WBVHZDCISA-N 2 0 334.464 1.712 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C(C)C)n1 ZINC001034936666 711436534 /nfs/dbraw/zinc/43/65/34/711436534.db2.gz UWVUULBEDZFFGL-MSOLQXFVSA-N 2 0 347.507 1.856 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034937048 711437358 /nfs/dbraw/zinc/43/73/58/711437358.db2.gz ZXSDUHHCJHCHOK-SJORKVTESA-N 2 0 334.464 1.936 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cn1 ZINC001034941313 711446174 /nfs/dbraw/zinc/44/61/74/711446174.db2.gz MQKNFWXJNKLOOX-MSOLQXFVSA-N 2 0 346.450 1.643 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCOC)CC1)[NH+](C)C ZINC001004476092 711855835 /nfs/dbraw/zinc/85/58/35/711855835.db2.gz XFOWGWWNHRQUKC-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@@H]2C)CC1 ZINC001004546063 711956974 /nfs/dbraw/zinc/95/69/74/711956974.db2.gz FWSNAXANPNDHHI-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597579 712040070 /nfs/dbraw/zinc/04/00/70/712040070.db2.gz SGROAUSAVIDMKP-SJLPKXTDSA-N 2 0 337.508 1.414 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cc(C)on3)C[C@H]2CC1)[NH+](C)C ZINC000946642998 712129928 /nfs/dbraw/zinc/12/99/28/712129928.db2.gz YSTNKAQOQQIPFB-SOLBZPMBSA-N 2 0 348.491 1.994 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563299 282179432 /nfs/dbraw/zinc/17/94/32/282179432.db2.gz XVQWSTTXDAYPNR-JKSUJKDBSA-N 2 0 341.459 1.389 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000353333505 282229497 /nfs/dbraw/zinc/22/94/97/282229497.db2.gz YPWQVLWJXSQTAY-ZMSDIMECSA-N 2 0 340.537 1.549 20 0 EDADRP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1(C)C ZINC000559258525 306252300 /nfs/dbraw/zinc/25/23/00/306252300.db2.gz VGANQZGBKPFOHT-UHFFFAOYSA-N 2 0 344.503 1.751 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H](C)C2CC[NH+](C)CC2)s1 ZINC000090582443 539392921 /nfs/dbraw/zinc/39/29/21/539392921.db2.gz WJJIHDGLIXBSNE-CYBMUJFWSA-N 2 0 345.534 1.655 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093739774 539523376 /nfs/dbraw/zinc/52/33/76/539523376.db2.gz CISCPELJTUVIAT-GOSISDBHSA-N 2 0 335.492 1.516 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCC1 ZINC000412264482 303989584 /nfs/dbraw/zinc/98/95/84/303989584.db2.gz ASRVXKCEVOXFOJ-OAHLLOKOSA-N 2 0 325.522 1.804 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000436126288 539569596 /nfs/dbraw/zinc/56/95/96/539569596.db2.gz QPFUROFYESLETD-LSDHHAIUSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1 ZINC000332826898 539607389 /nfs/dbraw/zinc/60/73/89/539607389.db2.gz LPGSWXAXPYZKMP-SOLBZPMBSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000342989772 539772437 /nfs/dbraw/zinc/77/24/37/539772437.db2.gz PUWRZLKYWSVVCD-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000343319356 539785317 /nfs/dbraw/zinc/78/53/17/539785317.db2.gz OBHJCDXSSPSIAZ-ROUUACIJSA-N 2 0 333.476 1.864 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCc1cncn1C)[NH+]1CCOCC1 ZINC000357664710 539978286 /nfs/dbraw/zinc/97/82/86/539978286.db2.gz LHOCNJFXZUVGHX-MRXNPFEDSA-N 2 0 337.468 1.356 20 0 EDADRP CCC[NH+]1CCC(NCc2cccnc2N2CC[NH+](C)CC2)CC1 ZINC000158425264 539995455 /nfs/dbraw/zinc/99/54/55/539995455.db2.gz JSYKDHMKSKNLEV-UHFFFAOYSA-N 2 0 331.508 1.797 20 0 EDADRP C[N@H+](C[C@@H](O)CNC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984355 306314822 /nfs/dbraw/zinc/31/48/22/306314822.db2.gz JNTSHGCGAHURRO-QUCCMNQESA-N 2 0 331.504 1.596 20 0 EDADRP [NH3+][C@@H](CCC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000563115410 306318900 /nfs/dbraw/zinc/31/89/00/306318900.db2.gz STVIADPWVQUGCT-SCTDSRPQSA-N 2 0 331.460 1.821 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000412850984 304041904 /nfs/dbraw/zinc/04/19/04/304041904.db2.gz VHZYNHUOTIOUDW-SFHVURJKSA-N 2 0 344.503 1.799 20 0 EDADRP [NH3+]CCC1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000563340056 306328365 /nfs/dbraw/zinc/32/83/65/306328365.db2.gz ZDFGMAYSLDWXIB-SFHVURJKSA-N 2 0 330.476 1.881 20 0 EDADRP C[NH+](C)CCn1nnnc1S[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000412998304 304048737 /nfs/dbraw/zinc/04/87/37/304048737.db2.gz YOXYJLBUCGZODF-HNNXBMFYSA-N 2 0 332.477 1.601 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000074011113 138222702 /nfs/dbraw/zinc/22/27/02/138222702.db2.gz IILOWIOBYQOJGV-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000076941467 138250313 /nfs/dbraw/zinc/25/03/13/138250313.db2.gz WVZINDRTPIXOBE-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP Cn1ccc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1 ZINC000092426569 138288831 /nfs/dbraw/zinc/28/88/31/138288831.db2.gz RIQYSLJCOGKTNO-UHFFFAOYSA-N 2 0 334.508 1.941 20 0 EDADRP CC[NH+]1CCN([C@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000125750433 138336025 /nfs/dbraw/zinc/33/60/25/138336025.db2.gz IYJFQEIRQZFASF-IEBWSBKVSA-N 2 0 344.503 1.403 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C1 ZINC000353245805 283319051 /nfs/dbraw/zinc/31/90/51/283319051.db2.gz UXPVVOSWQQCQSW-BRSBDYLESA-N 2 0 337.508 1.759 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000487083918 283333544 /nfs/dbraw/zinc/33/35/44/283333544.db2.gz LXGOERWBXKRYHR-BZUAXINKSA-N 2 0 325.522 1.899 20 0 EDADRP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000564093239 306355720 /nfs/dbraw/zinc/35/57/20/306355720.db2.gz NSMBWABFRFEDBY-UHFFFAOYSA-N 2 0 333.476 1.859 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000175426279 138695374 /nfs/dbraw/zinc/69/53/74/138695374.db2.gz PQPOFXPDICJSOS-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)CCC2CC[NH2+]CC2)CC1 ZINC000564564861 306360812 /nfs/dbraw/zinc/36/08/12/306360812.db2.gz PBVBXQYARADYMJ-UHFFFAOYSA-N 2 0 339.480 1.158 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CCSC1 ZINC000564644800 306361763 /nfs/dbraw/zinc/36/17/63/306361763.db2.gz LUPHSTQMIUDXJI-CVEARBPZSA-N 2 0 326.510 1.209 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000564715067 306363259 /nfs/dbraw/zinc/36/32/59/306363259.db2.gz WXWVKIZASGXKRM-MRXNPFEDSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000173941151 237269916 /nfs/dbraw/zinc/26/99/16/237269916.db2.gz CUZIDLODEKNBMJ-UHFFFAOYSA-N 2 0 336.484 1.879 20 0 EDADRP COC(=O)[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+](C)C1 ZINC000413902435 304086931 /nfs/dbraw/zinc/08/69/31/304086931.db2.gz NMODQOHREMCHLD-OAHLLOKOSA-N 2 0 339.480 1.062 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)Cc2ccc(OC)nc2)CC1 ZINC000414068676 304099581 /nfs/dbraw/zinc/09/95/81/304099581.db2.gz IPWAIGVHVBALGO-SJORKVTESA-N 2 0 334.508 1.884 20 0 EDADRP CCn1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414195120 304105308 /nfs/dbraw/zinc/10/53/08/304105308.db2.gz NQSRLCSAVKNQAF-MRXNPFEDSA-N 2 0 335.496 1.350 20 0 EDADRP COCCOC[C@H](O)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000294993625 201347346 /nfs/dbraw/zinc/34/73/46/201347346.db2.gz QZCSTSCCIOPGLK-LJQANCHMSA-N 2 0 336.476 1.607 20 0 EDADRP COC1(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOCC1 ZINC000565929089 306394848 /nfs/dbraw/zinc/39/48/48/306394848.db2.gz CUBJQALKQSUMAE-LJQANCHMSA-N 2 0 347.503 1.760 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694249 304128558 /nfs/dbraw/zinc/12/85/58/304128558.db2.gz MZNDCUUVORBDIL-IEBWSBKVSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414694729 304128611 /nfs/dbraw/zinc/12/86/11/304128611.db2.gz DQYUXWFYXACKFU-CQSZACIVSA-N 2 0 344.459 1.261 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)C)CC2)c1 ZINC000414807081 304143056 /nfs/dbraw/zinc/14/30/56/304143056.db2.gz QRWWFXLESOUIAW-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]Cc1cccc2c1OCO2)N1CC[NH2+]CC1 ZINC000414995939 304149327 /nfs/dbraw/zinc/14/93/27/304149327.db2.gz WRFWMECWQLJYLS-CYBMUJFWSA-N 2 0 331.338 1.341 20 0 EDADRP CN(C)c1ccccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414998916 304149702 /nfs/dbraw/zinc/14/97/02/304149702.db2.gz ZXHPMWDTHNTLFS-HNNXBMFYSA-N 2 0 330.398 1.678 20 0 EDADRP COc1cc(C[NH2+][C@@H](C)CCC[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000415022879 304151756 /nfs/dbraw/zinc/15/17/56/304151756.db2.gz LXAFOJDMKDYTBR-HNNXBMFYSA-N 2 0 349.475 1.913 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@]2(C)CC[NH2+]C2)CC1 ZINC000415074558 304157715 /nfs/dbraw/zinc/15/77/15/304157715.db2.gz CRJPKZCDLHWWDC-LJQANCHMSA-N 2 0 330.476 1.444 20 0 EDADRP CCOc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)ccc1OC ZINC000415076746 304157778 /nfs/dbraw/zinc/15/77/78/304157778.db2.gz BCEVAODDUUDBTJ-HNNXBMFYSA-N 2 0 335.448 1.381 20 0 EDADRP [NH3+]CCc1nc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cs1 ZINC000194828740 139000797 /nfs/dbraw/zinc/00/07/97/139000797.db2.gz GVXFZYNEKMTJJE-UHFFFAOYSA-N 2 0 344.484 1.823 20 0 EDADRP C[C@H](CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[N@H+](C)C1CC1 ZINC000105113765 204135072 /nfs/dbraw/zinc/13/50/72/204135072.db2.gz LKQSWOXWQDKZKD-OAHLLOKOSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415126161 304162226 /nfs/dbraw/zinc/16/22/26/304162226.db2.gz UADUFSCWFSYYPS-AWEZNQCLSA-N 2 0 344.459 1.609 20 0 EDADRP [NH3+]CC1(O)CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000415138095 304163364 /nfs/dbraw/zinc/16/33/64/304163364.db2.gz GOAGAPZGOXAKMX-UHFFFAOYSA-N 2 0 327.428 1.946 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000195152866 139008044 /nfs/dbraw/zinc/00/80/44/139008044.db2.gz IBHIMDFOTSRPQH-LJQANCHMSA-N 2 0 338.455 1.732 20 0 EDADRP CN(c1ccccc1C[NH+]1CCC(O)(C[NH3+])CC1)C1CC[NH+](C)CC1 ZINC000415143087 304163966 /nfs/dbraw/zinc/16/39/66/304163966.db2.gz RGUWEGKHSGVUIP-UHFFFAOYSA-N 2 0 346.519 1.503 20 0 EDADRP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415146544 304164637 /nfs/dbraw/zinc/16/46/37/304164637.db2.gz YVXSLGXFSVRGLF-QZTJIDSGSA-N 2 0 346.450 1.854 20 0 EDADRP CC(C)[C@@](C)(C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000236805353 139031974 /nfs/dbraw/zinc/03/19/74/139031974.db2.gz PKNBYFSKLOWZQP-GOSISDBHSA-N 2 0 333.480 1.083 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC000180751814 296183818 /nfs/dbraw/zinc/18/38/18/296183818.db2.gz DESKYHLOAHLRDT-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CCN(Cc2cc(OC)cc(OC)c2)C1 ZINC000236917675 139035101 /nfs/dbraw/zinc/03/51/01/139035101.db2.gz BWRHORUWDUFEHJ-YEWWUXTCSA-N 2 0 349.475 1.768 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)CC(C)(C)[NH3+])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000237127364 139041460 /nfs/dbraw/zinc/04/14/60/139041460.db2.gz YSCQEHGJAAJBNM-INIZCTEOSA-N 2 0 346.475 1.919 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000237214725 139044689 /nfs/dbraw/zinc/04/46/89/139044689.db2.gz WKOVZSKOXSONIP-UHFFFAOYSA-N 2 0 330.476 1.050 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)c1 ZINC000237373167 139049552 /nfs/dbraw/zinc/04/95/52/139049552.db2.gz OVFIBHOHPBFKTQ-QGZVFWFLSA-N 2 0 340.427 1.481 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000496173660 284349863 /nfs/dbraw/zinc/34/98/63/284349863.db2.gz UWDHXSKVZGKZTP-RBSFLKMASA-N 2 0 329.485 1.534 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(CC)CCC[NH+](C)C)c1 ZINC000415193485 304173741 /nfs/dbraw/zinc/17/37/41/304173741.db2.gz YMKYKCJYTKCDGQ-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP [NH3+]CC1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000237774296 139060006 /nfs/dbraw/zinc/06/00/06/139060006.db2.gz HCTUYQQVFNCPHQ-UHFFFAOYSA-N 2 0 330.476 1.586 20 0 EDADRP [NH3+][C@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237847155 139061766 /nfs/dbraw/zinc/06/17/66/139061766.db2.gz GXXPRWQKKBODCD-CRAIPNDOSA-N 2 0 331.460 1.694 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C1CC1 ZINC000567573752 306455394 /nfs/dbraw/zinc/45/53/94/306455394.db2.gz CZKUPHDIRBQLQR-AEFFLSMTSA-N 2 0 337.508 1.852 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415227289 304176236 /nfs/dbraw/zinc/17/62/36/304176236.db2.gz LLGSZHYBFYTIQL-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000237991241 139065957 /nfs/dbraw/zinc/06/59/57/139065957.db2.gz OKPFAUJRNMAOQZ-BEFAXECRSA-N 2 0 343.471 1.318 20 0 EDADRP O=C([C@H]1CC12CC[NH2+]CC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000237991884 139065960 /nfs/dbraw/zinc/06/59/60/139065960.db2.gz FSONNKZJPAZKTM-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000111819003 220198892 /nfs/dbraw/zinc/19/88/92/220198892.db2.gz BIEWNOXUFNMPKQ-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000111843318 220204613 /nfs/dbraw/zinc/20/46/13/220204613.db2.gz WOKGLBHEWRMREQ-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000111847485 220207711 /nfs/dbraw/zinc/20/77/11/220207711.db2.gz PXOADQMPBMWSIX-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000238085299 139068665 /nfs/dbraw/zinc/06/86/65/139068665.db2.gz MPAHRMZGOWVJNA-HNNXBMFYSA-N 2 0 341.521 1.233 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000567678247 306458671 /nfs/dbraw/zinc/45/86/71/306458671.db2.gz ODSMKCHLPZRKDY-UHFFFAOYSA-N 2 0 332.510 1.028 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246262824 139101558 /nfs/dbraw/zinc/10/15/58/139101558.db2.gz ZAWDSHOGALLOMN-CABCVRRESA-N 2 0 344.459 1.530 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000246834547 139123727 /nfs/dbraw/zinc/12/37/27/139123727.db2.gz CQQJROVXGLOVQI-NXHRZFHOSA-N 2 0 345.491 1.685 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CN3CC[NH+](CC)CC3)cc2)CC1 ZINC000102677884 206385947 /nfs/dbraw/zinc/38/59/47/206385947.db2.gz LUAQVUWFXGQYNP-UHFFFAOYSA-N 2 0 330.520 1.962 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000424139223 296279941 /nfs/dbraw/zinc/27/99/41/296279941.db2.gz FATNMDYQRPTJOX-JKSUJKDBSA-N 2 0 346.479 1.151 20 0 EDADRP C[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCc2sccc2C1 ZINC000261608450 139210432 /nfs/dbraw/zinc/21/04/32/139210432.db2.gz AXDGQTNFTQRPPJ-MLGOLLRUSA-N 2 0 337.489 1.365 20 0 EDADRP CC(CC(=O)NC(C)(C)C[NH+](C)C)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457237715 305485288 /nfs/dbraw/zinc/48/52/88/305485288.db2.gz LNQHMMWXHDHTDA-UHFFFAOYSA-N 2 0 342.528 1.316 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000261723769 139220669 /nfs/dbraw/zinc/22/06/69/139220669.db2.gz RBDXUUJGYALNKR-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP C[NH2+][C@H](C)Cc1noc(-c2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000261733098 139221610 /nfs/dbraw/zinc/22/16/10/139221610.db2.gz KKFFYGIBHYMRIE-CQSZACIVSA-N 2 0 329.448 1.634 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261764122 139223974 /nfs/dbraw/zinc/22/39/74/139223974.db2.gz LXUHTKNLFJPLQV-ATZDWAIDSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000261745305 139222547 /nfs/dbraw/zinc/22/25/47/139222547.db2.gz PRJXDFWCVVMDAP-LJQANCHMSA-N 2 0 331.460 1.762 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000261825995 139229457 /nfs/dbraw/zinc/22/94/57/139229457.db2.gz MUWOYDANEQBZIS-ZACQAIPSSA-N 2 0 337.508 1.724 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000415503176 304224786 /nfs/dbraw/zinc/22/47/86/304224786.db2.gz XUGKJBGJYBVWSJ-UHFFFAOYSA-N 2 0 334.464 1.629 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356235220 296310615 /nfs/dbraw/zinc/31/06/15/296310615.db2.gz LGNHPQPMFKJRSK-MRXNPFEDSA-N 2 0 333.480 1.869 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000262069735 139248358 /nfs/dbraw/zinc/24/83/58/139248358.db2.gz BZALGKXUONGOIW-SFHVURJKSA-N 2 0 325.460 1.567 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1F ZINC000262137840 139254297 /nfs/dbraw/zinc/25/42/97/139254297.db2.gz DPHGBHHOPCTRQU-WBVHZDCISA-N 2 0 349.450 1.915 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735760 207050568 /nfs/dbraw/zinc/05/05/68/207050568.db2.gz LJOPAIOVDBIDHX-HZPDHXFCSA-N 2 0 339.528 1.042 20 0 EDADRP CC[C@@H](C(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)[NH+](CC)CC ZINC000262185208 139258203 /nfs/dbraw/zinc/25/82/03/139258203.db2.gz ZJEWFAVDAKCMBU-STQMWFEESA-N 2 0 338.418 1.059 20 0 EDADRP [NH3+]CC1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCOCC1 ZINC000262204287 139259703 /nfs/dbraw/zinc/25/97/03/139259703.db2.gz IKVHZSBATJGWPP-UHFFFAOYSA-N 2 0 349.500 1.929 20 0 EDADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000262236684 139262553 /nfs/dbraw/zinc/26/25/53/139262553.db2.gz VVAYSHLPWYFVSS-INIZCTEOSA-N 2 0 347.459 1.360 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415977876 251041722 /nfs/dbraw/zinc/04/17/22/251041722.db2.gz ORCLVRFFQXSFMS-MRXNPFEDSA-N 2 0 347.463 1.210 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000175028393 207087141 /nfs/dbraw/zinc/08/71/41/207087141.db2.gz HERYLWDNEVPJII-QGZVFWFLSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H](CC[NH3+])C1)Cc1ccccc1 ZINC000416829700 251112855 /nfs/dbraw/zinc/11/28/55/251112855.db2.gz FXGRQESWTAKKCK-ZWKOTPCHSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000417013245 251129898 /nfs/dbraw/zinc/12/98/98/251129898.db2.gz BUTXSBCAIVQYSW-KRWDZBQOSA-N 2 0 345.491 1.331 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000417423525 251168010 /nfs/dbraw/zinc/16/80/10/251168010.db2.gz RLBPMSMPWCXRGE-HOTGVXAUSA-N 2 0 334.464 1.976 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000417591382 251199472 /nfs/dbraw/zinc/19/94/72/251199472.db2.gz IIRUVFPDTATIPS-MRXNPFEDSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H](c2c(F)cccc2F)N(C)C)C[C@@H]1[NH3+] ZINC000417662938 251217502 /nfs/dbraw/zinc/21/75/02/251217502.db2.gz TXERWYFXYFDPJY-SWHYSGLUSA-N 2 0 326.391 1.556 20 0 EDADRP C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000262417679 139277732 /nfs/dbraw/zinc/27/77/32/139277732.db2.gz ZUGYUMKVYRWZHQ-HZPDHXFCSA-N 2 0 333.480 1.341 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000417753046 251256382 /nfs/dbraw/zinc/25/63/82/251256382.db2.gz NVIGWSJWKRWQIB-HOTGVXAUSA-N 2 0 347.507 1.389 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)CCSC1 ZINC000417828778 251288905 /nfs/dbraw/zinc/28/89/05/251288905.db2.gz PGUHYWYXJFLAEE-QGZVFWFLSA-N 2 0 340.537 1.599 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000417811198 251278970 /nfs/dbraw/zinc/27/89/70/251278970.db2.gz DDAODHTXCUNEHT-HZPDHXFCSA-N 2 0 347.507 1.762 20 0 EDADRP CC[C@@H](NC(=O)NCCC[NH2+]C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000417887623 251313997 /nfs/dbraw/zinc/31/39/97/251313997.db2.gz IGQDGMKSFBRQFV-QZTJIDSGSA-N 2 0 348.491 1.575 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000417944237 251317305 /nfs/dbraw/zinc/31/73/05/251317305.db2.gz CCVZYEBLSPJCFZ-MISXLKTNSA-N 2 0 326.391 1.745 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944554 251317683 /nfs/dbraw/zinc/31/76/83/251317683.db2.gz CMBYTUFZWAXNLI-TUKIKUTGSA-N 2 0 326.391 1.747 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000417858332 251300837 /nfs/dbraw/zinc/30/08/37/251300837.db2.gz PKKMZZZVKQCACU-NVXWUHKLSA-N 2 0 330.476 1.825 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262528164 139284408 /nfs/dbraw/zinc/28/44/08/139284408.db2.gz MFEQFHUAMJKXMU-CHWSQXEVSA-N 2 0 332.448 1.306 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418321213 251360164 /nfs/dbraw/zinc/36/01/64/251360164.db2.gz ANAJIMUXWPKLBP-GOSISDBHSA-N 2 0 345.491 1.689 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418713800 251392786 /nfs/dbraw/zinc/39/27/86/251392786.db2.gz YFNWTNUJJRXLLG-IAGOWNOFSA-N 2 0 347.507 1.181 20 0 EDADRP COCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000418638178 251382832 /nfs/dbraw/zinc/38/28/32/251382832.db2.gz LHUYLEASQDXMCZ-OAHLLOKOSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418685348 251386435 /nfs/dbraw/zinc/38/64/35/251386435.db2.gz DFBCEVLMURAJOL-JLJPHGGASA-N 2 0 336.455 1.945 20 0 EDADRP [NH3+]CCCC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262639732 139292337 /nfs/dbraw/zinc/29/23/37/139292337.db2.gz JTRGIAVVSPXEAQ-UHFFFAOYSA-N 2 0 332.492 1.440 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262654214 139293407 /nfs/dbraw/zinc/29/34/07/139293407.db2.gz SXQWWVCMTKJOIE-QZTJIDSGSA-N 2 0 344.503 1.832 20 0 EDADRP O=C1Nc2ccccc2C12CCC([NH2+]CCCN1CC[NH2+]CC1)CC2 ZINC000423174303 284930471 /nfs/dbraw/zinc/93/04/71/284930471.db2.gz AFDCTBORXHUMFU-UHFFFAOYSA-N 2 0 342.487 1.704 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)[C@@H](C)C1 ZINC000262738585 139300179 /nfs/dbraw/zinc/30/01/79/139300179.db2.gz IUGQBKFWMJZSOR-ZOBUZTSGSA-N 2 0 333.480 1.610 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CC[C@@H](C)[NH3+])c1 ZINC000262826375 139306297 /nfs/dbraw/zinc/30/62/97/139306297.db2.gz UBBRRBDFLKFFGD-CQSZACIVSA-N 2 0 334.464 1.824 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000262864751 139309062 /nfs/dbraw/zinc/30/90/62/139309062.db2.gz LRVLMAWSLHKZLS-CRAIPNDOSA-N 2 0 330.476 1.304 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422897024 252015180 /nfs/dbraw/zinc/01/51/80/252015180.db2.gz BCZLUIBUBONONL-UNEWFSDZSA-N 2 0 347.459 1.289 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044100 252027408 /nfs/dbraw/zinc/02/74/08/252027408.db2.gz ATOCPWVCKZOQIX-RDJZCZTQSA-N 2 0 337.489 1.834 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000423322301 252046538 /nfs/dbraw/zinc/04/65/38/252046538.db2.gz GNBFJEYQQPDLBF-FQEVSTJZSA-N 2 0 345.487 1.436 20 0 EDADRP C[C@H]([NH2+]CCCC[NH3+])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423346911 252047045 /nfs/dbraw/zinc/04/70/45/252047045.db2.gz ZJJRZTHSCFQSFV-AWEZNQCLSA-N 2 0 341.477 1.097 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000423356714 252052258 /nfs/dbraw/zinc/05/22/58/252052258.db2.gz HFXXJCRDSGUBGK-AYBZRNKSSA-N 2 0 331.460 1.564 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422904553 252018207 /nfs/dbraw/zinc/01/82/07/252018207.db2.gz GYDXROCOAMRYQB-MSOLQXFVSA-N 3 0 332.492 1.585 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000422906223 252018748 /nfs/dbraw/zinc/01/87/48/252018748.db2.gz UPMAGPWUWGXNPD-YOEHRIQHSA-N 2 0 339.505 1.602 20 0 EDADRP C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)C1C[NH2+]C1 ZINC000422909376 252019709 /nfs/dbraw/zinc/01/97/09/252019709.db2.gz FSWRTVASGSPCAA-INIZCTEOSA-N 2 0 330.476 1.313 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000423993257 252109908 /nfs/dbraw/zinc/10/99/08/252109908.db2.gz AOEVSGRNRPDISL-UHFFFAOYSA-N 2 0 334.464 1.251 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCOCC1 ZINC000423791264 252075761 /nfs/dbraw/zinc/07/57/61/252075761.db2.gz HIFMVLILYNCEME-GOSISDBHSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139874 252140312 /nfs/dbraw/zinc/14/03/12/252140312.db2.gz VSOZOKDYPMFXFX-CVEARBPZSA-N 2 0 348.495 1.587 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424150938 252145432 /nfs/dbraw/zinc/14/54/32/252145432.db2.gz ZYWCJFBGALZXDN-GJZGRUSLSA-N 2 0 334.468 1.197 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424227812 252170818 /nfs/dbraw/zinc/17/08/18/252170818.db2.gz RJJJAISTYHWQBS-GVDBMIGSSA-N 2 0 341.459 1.399 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424155690 252147356 /nfs/dbraw/zinc/14/73/56/252147356.db2.gz LGXLRNUJRCBTSC-INIZCTEOSA-N 2 0 342.447 1.194 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424160828 252149425 /nfs/dbraw/zinc/14/94/25/252149425.db2.gz VCBPJVPQHYSKFX-AWEZNQCLSA-N 2 0 349.479 1.107 20 0 EDADRP COC1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]CC1 ZINC000424218209 252165796 /nfs/dbraw/zinc/16/57/96/252165796.db2.gz RLRHHQMSSDABQE-ZWKOTPCHSA-N 2 0 343.471 1.488 20 0 EDADRP COC(=O)CC1CC([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000424269254 252186211 /nfs/dbraw/zinc/18/62/11/252186211.db2.gz MEQHGOVYQFXLQI-UHFFFAOYSA-N 2 0 346.475 1.525 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424470111 252243117 /nfs/dbraw/zinc/24/31/17/252243117.db2.gz AUMPKTLDCAORAF-NZSAHSFTSA-N 2 0 342.487 1.902 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000263230661 139329764 /nfs/dbraw/zinc/32/97/64/139329764.db2.gz NICBEZFNCSIMFO-SJKOYZFVSA-N 2 0 341.858 1.613 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000263285202 139333238 /nfs/dbraw/zinc/33/32/38/139333238.db2.gz UIEZMIYQWOXYOS-IAGOWNOFSA-N 2 0 330.476 1.442 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263282631 139332980 /nfs/dbraw/zinc/33/29/80/139332980.db2.gz JZSSCVXNKINPLZ-NHYWBVRUSA-N 2 0 325.815 1.808 20 0 EDADRP C[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](C)[C@@H]2CO)[C@@H]1CO ZINC000305737892 296390995 /nfs/dbraw/zinc/39/09/95/296390995.db2.gz QJVVSHPYSRMBIA-USTZCAOPSA-N 2 0 328.497 1.189 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)CC1 ZINC000348067759 285189637 /nfs/dbraw/zinc/18/96/37/285189637.db2.gz GEMOVYVFKQKKEF-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000442720251 254558485 /nfs/dbraw/zinc/55/84/85/254558485.db2.gz SVAPCYZHRURKSO-KRWDZBQOSA-N 2 0 346.475 1.968 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000362692496 285243023 /nfs/dbraw/zinc/24/30/23/285243023.db2.gz KIJKCOSMSMNQTD-GOSISDBHSA-N 3 0 338.540 1.593 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000487146934 255026834 /nfs/dbraw/zinc/02/68/34/255026834.db2.gz IPUCAHIDPRMGNP-IRXDYDNUSA-N 2 0 336.524 1.060 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000487777541 255035160 /nfs/dbraw/zinc/03/51/60/255035160.db2.gz CZCOJQQPRJAFOE-KXBFYZLASA-N 2 0 345.487 1.974 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000341059570 285245211 /nfs/dbraw/zinc/24/52/11/285245211.db2.gz XEXMLYBXSHODGR-IAGOWNOFSA-N 3 0 341.544 1.384 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccoc1C(=O)OC ZINC000349065479 285250985 /nfs/dbraw/zinc/25/09/85/285250985.db2.gz ZXJXDOXEOGRGPD-MRXNPFEDSA-N 2 0 337.464 1.914 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415799292 304273828 /nfs/dbraw/zinc/27/38/28/304273828.db2.gz CANWMWOUHHJBAE-INIZCTEOSA-N 2 0 346.475 1.378 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000415921552 304285516 /nfs/dbraw/zinc/28/55/16/304285516.db2.gz RQHISKBVSHQIDO-UHFFFAOYSA-N 2 0 346.475 1.982 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000415922876 304285559 /nfs/dbraw/zinc/28/55/59/304285559.db2.gz VDNMAHLVOKZMOQ-QGZVFWFLSA-N 2 0 334.464 1.620 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000571184063 306560337 /nfs/dbraw/zinc/56/03/37/306560337.db2.gz YRFNDXDWHBYLHP-CRAIPNDOSA-N 2 0 344.503 1.773 20 0 EDADRP C[C@@H]1OCC[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270670496 140144703 /nfs/dbraw/zinc/14/47/03/140144703.db2.gz WAVVIJKSGUHUDR-RDJZCZTQSA-N 2 0 347.463 1.070 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[NH+]2CCCC2)o1 ZINC000271176180 140251339 /nfs/dbraw/zinc/25/13/39/140251339.db2.gz XYADTZKKLMQURQ-RDJZCZTQSA-N 2 0 349.475 1.809 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000331494635 141038467 /nfs/dbraw/zinc/03/84/67/141038467.db2.gz KCYGTIXFMNMEKJ-DLBZAZTESA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000331494642 141038870 /nfs/dbraw/zinc/03/88/70/141038870.db2.gz KCYGTIXFMNMEKJ-IRXDYDNUSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@H]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000331504567 141040094 /nfs/dbraw/zinc/04/00/94/141040094.db2.gz LZZNZZJYVAXWFT-ZFWWWQNUSA-N 2 0 337.489 1.652 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000333379131 141308874 /nfs/dbraw/zinc/30/88/74/141308874.db2.gz NJCIEAAOOIGMPC-INIZCTEOSA-N 2 0 338.496 1.402 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333407471 141312950 /nfs/dbraw/zinc/31/29/50/141312950.db2.gz QSTVPMXLPLWECX-CVEARBPZSA-N 2 0 338.496 1.128 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000333465965 141321618 /nfs/dbraw/zinc/32/16/18/141321618.db2.gz ZXJQAIDPOLXEIY-CVEARBPZSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000333737746 141369802 /nfs/dbraw/zinc/36/98/02/141369802.db2.gz XEBVSNZJJSIQAJ-HIFRSBDPSA-N 2 0 337.493 1.501 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000333739144 141370259 /nfs/dbraw/zinc/37/02/59/141370259.db2.gz XIIPKSCMVJWLSV-JKSUJKDBSA-N 2 0 338.496 1.543 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2)C[C@@H]1CC[NH+](C)C1 ZINC000416408613 304316392 /nfs/dbraw/zinc/31/63/92/304316392.db2.gz QZCUDOBZLWQAIR-GDBMZVCRSA-N 2 0 347.459 1.195 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000339576300 142081622 /nfs/dbraw/zinc/08/16/22/142081622.db2.gz ZMPOJDYNLIMUIW-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cc(=O)[nH]1 ZINC000339655895 142109227 /nfs/dbraw/zinc/10/92/27/142109227.db2.gz VGLMFEINZWPEON-OAHLLOKOSA-N 2 0 334.464 1.584 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000340188151 142296742 /nfs/dbraw/zinc/29/67/42/142296742.db2.gz HEIWKSDKPZHLAN-SUMWQHHRSA-N 2 0 337.489 1.643 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340256108 142321713 /nfs/dbraw/zinc/32/17/13/142321713.db2.gz XKUXXDAFWVGQRA-INIZCTEOSA-N 2 0 341.544 1.288 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCC2CCSCC2)CC1 ZINC000340256937 142321717 /nfs/dbraw/zinc/32/17/17/142321717.db2.gz ZMEFWCHIZASHED-UHFFFAOYSA-N 2 0 328.526 1.455 20 0 EDADRP C[C@H]1[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345245951 143069146 /nfs/dbraw/zinc/06/91/46/143069146.db2.gz GAVFWQWLXATBHE-SWLSCSKDSA-N 2 0 347.463 1.451 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC000345730629 143126740 /nfs/dbraw/zinc/12/67/40/143126740.db2.gz FRRDFEXMTVBEJV-LUKYLMHMSA-N 2 0 340.512 1.610 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000346185489 143176397 /nfs/dbraw/zinc/17/63/97/143176397.db2.gz DTRBHCVXNWMMQR-OKILXGFUSA-N 2 0 334.464 1.046 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000346214835 143179731 /nfs/dbraw/zinc/17/97/31/143179731.db2.gz ZAPOWAOREIDTLX-KRWDZBQOSA-N 2 0 341.459 1.730 20 0 EDADRP CC[N@@H+]1CC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000347414214 143318331 /nfs/dbraw/zinc/31/83/31/143318331.db2.gz FJQUPEMDWQLJDK-HOJAQTOUSA-N 2 0 331.504 1.943 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000347668387 143347445 /nfs/dbraw/zinc/34/74/45/143347445.db2.gz CUKFCHPUOXBNQO-SJORKVTESA-N 2 0 339.524 1.972 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000347729768 143355449 /nfs/dbraw/zinc/35/54/49/143355449.db2.gz VHLHXRNUHCVELE-MAUKXSAKSA-N 2 0 349.475 1.382 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)cc(C)c1O ZINC000348006472 143390479 /nfs/dbraw/zinc/39/04/79/143390479.db2.gz NGRZVHVCMRWFKE-UHFFFAOYSA-N 2 0 335.492 1.489 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2C(=O)NC)[C@@H](C)C1 ZINC000358235008 286063591 /nfs/dbraw/zinc/06/35/91/286063591.db2.gz HRUZBZZYYIQZKO-LUKYLMHMSA-N 2 0 325.497 1.628 20 0 EDADRP CCNC(=O)NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000369904557 155223700 /nfs/dbraw/zinc/22/37/00/155223700.db2.gz NIOGIALVAQJXOW-NVXWUHKLSA-N 2 0 346.475 1.675 20 0 EDADRP COCCC(C)(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000352951228 149226596 /nfs/dbraw/zinc/22/65/96/149226596.db2.gz CZWDWRASAPAHGJ-UHFFFAOYSA-N 2 0 348.491 1.773 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000416972812 304358364 /nfs/dbraw/zinc/35/83/64/304358364.db2.gz HJQCJTACYRURHM-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000416974588 304358842 /nfs/dbraw/zinc/35/88/42/304358842.db2.gz XHWUZKBDTIIPSG-INIZCTEOSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(N2CCC(C)CC2)nc1 ZINC000416976459 304359508 /nfs/dbraw/zinc/35/95/08/304359508.db2.gz QXRLTFGNRIEFHK-OAHLLOKOSA-N 2 0 333.480 1.973 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000416980181 304360599 /nfs/dbraw/zinc/36/05/99/304360599.db2.gz IWTVXMPEACVXOE-HDICACEKSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000355082510 150108491 /nfs/dbraw/zinc/10/84/91/150108491.db2.gz MQWAFJWTQOLTFJ-RHSMWYFYSA-N 2 0 334.464 1.003 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)CC[C@@H]2C)C[C@@H](C)O1 ZINC000355483087 150287030 /nfs/dbraw/zinc/28/70/30/150287030.db2.gz RILHIUAEJYPSTL-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417038034 304364591 /nfs/dbraw/zinc/36/45/91/304364591.db2.gz UHWNQLVJEVQEAU-RBUKOAKNSA-N 2 0 342.487 1.686 20 0 EDADRP COC[C@]1(CNC(=O)NCc2cccc(C[NH+](C)C)c2)CCC[NH2+]1 ZINC000417064830 304368532 /nfs/dbraw/zinc/36/85/32/304368532.db2.gz KBUSXMACYAVISI-GOSISDBHSA-N 2 0 334.464 1.316 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(CC)CCC[NH+](C)C)CC1 ZINC000357629027 151091584 /nfs/dbraw/zinc/09/15/84/151091584.db2.gz QWUUKAYISUAHLZ-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NC[C@H](C)[NH+](CC)CC)CC1 ZINC000357681988 151114768 /nfs/dbraw/zinc/11/47/68/151114768.db2.gz OPISKBUIPQFTJP-HNNXBMFYSA-N 2 0 340.512 1.214 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357856900 151174333 /nfs/dbraw/zinc/17/43/33/151174333.db2.gz CFAJMZWGNLMWPR-UONOGXRCSA-N 2 0 340.537 1.738 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000357970938 151215852 /nfs/dbraw/zinc/21/58/52/151215852.db2.gz DUCJDWLBABRADB-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000358017724 151236294 /nfs/dbraw/zinc/23/62/94/151236294.db2.gz IJPRFVTVXGHBFD-PKOBYXMFSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCOCC1 ZINC000358042533 151244619 /nfs/dbraw/zinc/24/46/19/151244619.db2.gz VCUKJPABSBMZMQ-HNNXBMFYSA-N 2 0 333.476 1.883 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCCC[NH+]2Cc2ccccc2)C1 ZINC000358073265 151260380 /nfs/dbraw/zinc/26/03/80/151260380.db2.gz BKMSVTMXJAEZMX-IEBWSBKVSA-N 2 0 331.460 1.224 20 0 EDADRP CC1=CC[NH+](CCNC(=O)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358183827 151297112 /nfs/dbraw/zinc/29/71/12/151297112.db2.gz FTELVTWFXRIMGK-CALCHBBNSA-N 2 0 338.496 1.437 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC000358267871 151321925 /nfs/dbraw/zinc/32/19/25/151321925.db2.gz SGUJNLIDENQYRG-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358505808 151398777 /nfs/dbraw/zinc/39/87/77/151398777.db2.gz SOKBCQYEFPUJFX-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360413615 152028631 /nfs/dbraw/zinc/02/86/31/152028631.db2.gz MCUKPDXAUSANMB-HOCLYGCPSA-N 2 0 330.542 1.699 20 0 EDADRP CC[C@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[NH2+]C1 ZINC000360469077 152056927 /nfs/dbraw/zinc/05/69/27/152056927.db2.gz YOCQKLCAVSSZLU-LPHOPBHVSA-N 2 0 345.443 1.924 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360797139 152209705 /nfs/dbraw/zinc/20/97/05/152209705.db2.gz IOPXDFSDNOSONG-INIZCTEOSA-N 2 0 342.528 1.641 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000360897790 152245910 /nfs/dbraw/zinc/24/59/10/152245910.db2.gz OUGOEMFHRYZGHT-LPHOPBHVSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@H]([C@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000361107519 152307875 /nfs/dbraw/zinc/30/78/75/152307875.db2.gz QADBSOYETXOUDF-HKSATOIVSA-N 2 0 345.487 1.852 20 0 EDADRP C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)CN1CC[NH+](C)CC1 ZINC000361129562 152315728 /nfs/dbraw/zinc/31/57/28/152315728.db2.gz WFJYDXFCNZPPAU-GOSISDBHSA-N 2 0 345.535 1.519 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164612 152324182 /nfs/dbraw/zinc/32/41/82/152324182.db2.gz RKEADWZAODFQFJ-QZTJIDSGSA-N 2 0 341.540 1.824 20 0 EDADRP C[C@@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000361183910 152328506 /nfs/dbraw/zinc/32/85/06/152328506.db2.gz GLUUOBGQLPFEJR-KRWDZBQOSA-N 2 0 331.508 1.272 20 0 EDADRP O[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)C[NH+]1CCCCC1 ZINC000361285410 152353637 /nfs/dbraw/zinc/35/36/37/152353637.db2.gz DOJYDRUNCQAEFZ-OAHLLOKOSA-N 2 0 337.430 1.840 20 0 EDADRP CN(CC[N@@H+]1CCCOCC1)C[C@H]1CC[NH+](C)[C@@H]1c1cccnc1 ZINC000361381499 152377629 /nfs/dbraw/zinc/37/76/29/152377629.db2.gz OAZXQUBBZMPJJR-RTBURBONSA-N 2 0 332.492 1.729 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000417155585 304378674 /nfs/dbraw/zinc/37/86/74/304378674.db2.gz LNNISWWTEMATEU-QGZVFWFLSA-N 2 0 334.439 1.827 20 0 EDADRP Cc1c(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cnn1C ZINC000363813163 153063330 /nfs/dbraw/zinc/06/33/30/153063330.db2.gz FOCQVHDZBUHKCJ-KRWDZBQOSA-N 2 0 348.495 1.038 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000417186297 304382246 /nfs/dbraw/zinc/38/22/46/304382246.db2.gz WPGFOUYGZCKRCQ-GOEBONIOSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226277 304385965 /nfs/dbraw/zinc/38/59/65/304385965.db2.gz ZKMRBOCVQZLGNK-DZJNRPSUSA-N 2 0 328.460 1.683 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000574382151 306649329 /nfs/dbraw/zinc/64/93/29/306649329.db2.gz PHGROXBDOYWGBT-DOTOQJQBSA-N 2 0 345.491 1.948 20 0 EDADRP COC(=O)c1cc(C)nc(N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000367733924 154249402 /nfs/dbraw/zinc/24/94/02/154249402.db2.gz LAHGISWWVYABFM-CYBMUJFWSA-N 2 0 333.436 1.152 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)CCCO1 ZINC000368067170 154394496 /nfs/dbraw/zinc/39/44/96/154394496.db2.gz VEPPVDNRPQGISU-WMZOPIPTSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)[C@H]1CCc2ccccc2[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000369437872 155033247 /nfs/dbraw/zinc/03/32/47/155033247.db2.gz QNNCHVGCFYECDV-ZWKOTPCHSA-N 2 0 330.476 1.998 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NCCC[NH+]2CCC(O)CC2)CCc2ccccc21 ZINC000369487521 155055651 /nfs/dbraw/zinc/05/56/51/155055651.db2.gz CSGXGWYHWCDPJZ-HXUWFJFHSA-N 2 0 345.487 1.353 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000369520743 155068633 /nfs/dbraw/zinc/06/86/33/155068633.db2.gz HCPLNMFRTNUDGP-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417480440 304399236 /nfs/dbraw/zinc/39/92/36/304399236.db2.gz MOLITAWXFVLHHR-QAPCUYQASA-N 2 0 348.491 1.957 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000245880909 292335326 /nfs/dbraw/zinc/33/53/26/292335326.db2.gz BCORLUTYPXCFFC-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000371812387 156115990 /nfs/dbraw/zinc/11/59/90/156115990.db2.gz GBOYWONDXKFMSK-ALOPSCKCSA-N 2 0 338.496 1.412 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](Cc3cn(C)c(=O)n(C)c3=O)CC2)CC1 ZINC000372391689 156367060 /nfs/dbraw/zinc/36/70/60/156367060.db2.gz MWKXSWAOTNSRQE-UHFFFAOYSA-N 2 0 348.491 1.028 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000417524444 304403424 /nfs/dbraw/zinc/40/34/24/304403424.db2.gz JNTXZDXJZGCELM-KRWDZBQOSA-N 2 0 348.491 1.692 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]2C[NH2+]CCC[C@H]21 ZINC000373559892 156902848 /nfs/dbraw/zinc/90/28/48/156902848.db2.gz HFOIVBMEHBGSFP-BFYDXBDKSA-N 2 0 331.464 1.412 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000374333669 157250205 /nfs/dbraw/zinc/25/02/05/157250205.db2.gz VUMFXSXLVXNODO-GOSISDBHSA-N 2 0 336.524 1.204 20 0 EDADRP COCCCn1nccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000374706654 157373838 /nfs/dbraw/zinc/37/38/38/157373838.db2.gz WOEPSXPPVBCANG-UHFFFAOYSA-N 2 0 349.523 1.568 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000377816344 157999042 /nfs/dbraw/zinc/99/90/42/157999042.db2.gz FURVPRMNTDUWKW-JKSUJKDBSA-N 2 0 329.448 1.065 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378187657 158103544 /nfs/dbraw/zinc/10/35/44/158103544.db2.gz OHVRZKQZSYPELR-CVEARBPZSA-N 2 0 333.480 1.568 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)[C@H]3CCC[NH2+]C3)CCCCCC2)CC1 ZINC000378201414 158107547 /nfs/dbraw/zinc/10/75/47/158107547.db2.gz JTTSNYUCSLWNKK-KRWDZBQOSA-N 2 0 336.524 1.443 20 0 EDADRP COCC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000378201983 158107651 /nfs/dbraw/zinc/10/76/51/158107651.db2.gz MAYJZLHMFZKYIY-HXUWFJFHSA-N 2 0 345.487 1.915 20 0 EDADRP COCC[C@]1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000378210071 158110951 /nfs/dbraw/zinc/11/09/51/158110951.db2.gz LRXSBFIDERRACI-LJQANCHMSA-N 2 0 349.475 1.972 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418017027 304446903 /nfs/dbraw/zinc/44/69/03/304446903.db2.gz GMWOZJXTLBBNND-HNNXBMFYSA-N 2 0 328.501 1.422 20 0 EDADRP CSC1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[NH+](C)CC1 ZINC000418205663 304463585 /nfs/dbraw/zinc/46/35/85/304463585.db2.gz ZLJJWBOJARNCAJ-KGLIPLIRSA-N 2 0 328.526 1.631 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000073774629 287264834 /nfs/dbraw/zinc/26/48/34/287264834.db2.gz FNTDSUJMLKBRBX-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000080674921 287308657 /nfs/dbraw/zinc/30/86/57/287308657.db2.gz ODTWLFAQNWZIMU-QGZVFWFLSA-N 2 0 341.544 1.430 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344313 304483656 /nfs/dbraw/zinc/48/36/56/304483656.db2.gz KKTNCIXLGJYLBY-MRXNPFEDSA-N 2 0 333.480 1.545 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130576217 287495448 /nfs/dbraw/zinc/49/54/48/287495448.db2.gz WQYRMLCPXALGOI-MRXNPFEDSA-N 2 0 340.512 1.611 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000418414274 304493682 /nfs/dbraw/zinc/49/36/82/304493682.db2.gz ZPSNPSLIBGJNQB-RCBQFDQVSA-N 2 0 338.402 1.447 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000139127558 287585381 /nfs/dbraw/zinc/58/53/81/287585381.db2.gz DWFRGXSKYZFCCL-OAHLLOKOSA-N 2 0 329.448 1.353 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000274408060 268137194 /nfs/dbraw/zinc/13/71/94/268137194.db2.gz CURWVLXVUQUSEP-INIZCTEOSA-N 2 0 333.476 1.964 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000274919047 268238284 /nfs/dbraw/zinc/23/82/84/268238284.db2.gz JBIUNGRTCZVIEQ-QAPCUYQASA-N 2 0 347.503 1.689 20 0 EDADRP Cc1cnccc1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000275409853 268339008 /nfs/dbraw/zinc/33/90/08/268339008.db2.gz SDDOVEXBWIWSKB-UHFFFAOYSA-N 2 0 335.496 1.805 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275433424 268341933 /nfs/dbraw/zinc/34/19/33/268341933.db2.gz FQVITZFLYPYFJA-CQSZACIVSA-N 2 0 334.464 1.186 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000275501961 268351978 /nfs/dbraw/zinc/35/19/78/268351978.db2.gz AFQZRIJUQBKALC-HZPDHXFCSA-N 2 0 348.495 1.423 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2([NH+](C)C)CCC2)cc1 ZINC000275653631 273116372 /nfs/dbraw/zinc/11/63/72/273116372.db2.gz UQEXONFCSNPRQR-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)[N@H+](C)Cc1ccccc1 ZINC000278949818 273275377 /nfs/dbraw/zinc/27/53/77/273275377.db2.gz GZHMSAMLPPWFOO-GOEBONIOSA-N 2 0 341.459 1.737 20 0 EDADRP C[C@@H]([NH2+]CC1(S(C)(=O)=O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280902457 273412880 /nfs/dbraw/zinc/41/28/80/273412880.db2.gz FVBRHFGVILSDOM-CQSZACIVSA-N 2 0 340.489 1.855 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000284168052 274103266 /nfs/dbraw/zinc/10/32/66/274103266.db2.gz USCQYZKVCLLGSL-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000344427243 276203628 /nfs/dbraw/zinc/20/36/28/276203628.db2.gz QYWVNOPFZWSHSQ-UHFFFAOYSA-N 2 0 344.503 1.962 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cncs1 ZINC000339655972 276370837 /nfs/dbraw/zinc/37/08/37/276370837.db2.gz YQBJKRYZZAHGNV-OAHLLOKOSA-N 2 0 338.521 1.950 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccn1 ZINC000080603654 276371021 /nfs/dbraw/zinc/37/10/21/276371021.db2.gz HQKYJSOULAMWDU-QGZVFWFLSA-N 2 0 333.480 1.639 20 0 EDADRP CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415114816 276711972 /nfs/dbraw/zinc/71/19/72/276711972.db2.gz UFIYSOKWPWOIQI-CABCVRRESA-N 2 0 343.475 1.904 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCn3ncc(C(N)=O)c3C2)[C@H]2CCC[C@@H]21 ZINC000353596379 277171861 /nfs/dbraw/zinc/17/18/61/277171861.db2.gz QHNRLOSRMKKTGG-VDERGJSUSA-N 2 0 331.464 1.007 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417024467 277297792 /nfs/dbraw/zinc/29/77/92/277297792.db2.gz QKFIBGSTUVHILF-AEFFLSMTSA-N 2 0 347.507 1.272 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1C ZINC000354331185 277326157 /nfs/dbraw/zinc/32/61/57/277326157.db2.gz QIQFMLUIVIOKHU-QXSJWSMHSA-N 2 0 339.480 1.141 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422897753 277663868 /nfs/dbraw/zinc/66/38/68/277663868.db2.gz COPHPJXGWARLMB-IRXDYDNUSA-N 2 0 339.505 1.731 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC[NH+](C)CC1 ZINC000418199380 278124634 /nfs/dbraw/zinc/12/46/34/278124634.db2.gz NTRBDEOKANWZNT-UONOGXRCSA-N 2 0 328.526 1.583 20 0 EDADRP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CC3CC[NH2+]CC3)CC2)C1 ZINC000178980190 278499992 /nfs/dbraw/zinc/49/99/92/278499992.db2.gz UHFJVHRGDOQNCL-SJLPKXTDSA-N 2 0 336.524 1.299 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000351753715 278782997 /nfs/dbraw/zinc/78/29/97/278782997.db2.gz GMIACJFZSIDGMX-CVEARBPZSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[C@H](O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000450620784 278947249 /nfs/dbraw/zinc/94/72/49/278947249.db2.gz WKPNOLPIUHLMRK-SFHVURJKSA-N 2 0 339.524 1.852 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000247318806 279034437 /nfs/dbraw/zinc/03/44/37/279034437.db2.gz KYAVHVMQGIZLOJ-ULQDDVLXSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)c1ccccc1 ZINC000270738934 279302732 /nfs/dbraw/zinc/30/27/32/279302732.db2.gz AWJBMANPMTYEPX-MSOLQXFVSA-N 2 0 333.476 1.595 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343496431 279353280 /nfs/dbraw/zinc/35/32/80/279353280.db2.gz VPJBBNZXBSAUEV-QGZVFWFLSA-N 2 0 332.492 1.261 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1cccc(-n2ccnn2)c1 ZINC000287140881 288165048 /nfs/dbraw/zinc/16/50/48/288165048.db2.gz SERRCMSWCJMZKP-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000353519774 281246590 /nfs/dbraw/zinc/24/65/90/281246590.db2.gz NTSKSDKJUUYBEM-LSDHHAIUSA-N 2 0 325.522 1.852 20 0 EDADRP C[C@H]([NH2+]CCCn1cc(CO)nn1)c1cccc(OCC[NH+](C)C)c1 ZINC000289735959 288769923 /nfs/dbraw/zinc/76/99/23/288769923.db2.gz KITIRZJUWPRJNF-HNNXBMFYSA-N 2 0 347.463 1.452 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000290217999 288859805 /nfs/dbraw/zinc/85/98/05/288859805.db2.gz QOSGTKQIXVYMAY-IAGOWNOFSA-N 2 0 345.491 1.084 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)c1ccccc1 ZINC000290346182 288884011 /nfs/dbraw/zinc/88/40/11/288884011.db2.gz PUTWMWANJPCUHP-CVEARBPZSA-N 2 0 335.448 1.466 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CCC[N@@H+]1C ZINC000345745558 289051648 /nfs/dbraw/zinc/05/16/48/289051648.db2.gz KYCAYURIKQVLEP-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCCC1 ZINC000337696673 289277178 /nfs/dbraw/zinc/27/71/78/289277178.db2.gz QSLZQRWAMNHBRN-QZTJIDSGSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000245641574 290083544 /nfs/dbraw/zinc/08/35/44/290083544.db2.gz YRVOEKHBCZCMJG-HPBDAGMYSA-N 2 0 337.508 1.458 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000417851929 295241374 /nfs/dbraw/zinc/24/13/74/295241374.db2.gz YYYINCNSWSFPFB-DAWZGUTISA-N 2 0 330.476 1.062 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886882 295257296 /nfs/dbraw/zinc/25/72/96/295257296.db2.gz JWEJQTLNVCLWOL-IPMKNSEASA-N 3 0 344.503 1.601 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000333775394 295519661 /nfs/dbraw/zinc/51/96/61/295519661.db2.gz CUBUNAHLBGOTJK-LVQVYYBASA-N 2 0 329.510 1.311 20 0 EDADRP CSC1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CC[NH+](C)CC1 ZINC000416037560 295579424 /nfs/dbraw/zinc/57/94/24/295579424.db2.gz BXZFYMDISSWREQ-SNVBAGLBSA-N 2 0 342.431 1.393 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000418522772 304508318 /nfs/dbraw/zinc/50/83/18/304508318.db2.gz UBWKVRGOWMDMLJ-WMZOPIPTSA-N 2 0 340.512 1.518 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418637411 304523354 /nfs/dbraw/zinc/52/33/54/304523354.db2.gz NOWKKMJOYPBOFT-KRWDZBQOSA-N 2 0 334.464 1.093 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000418654969 304526221 /nfs/dbraw/zinc/52/62/21/304526221.db2.gz QJXZHMUDUVAZIO-WBVHZDCISA-N 2 0 334.464 1.221 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418803093 304532573 /nfs/dbraw/zinc/53/25/73/304532573.db2.gz YPBKFNBTDCGBOT-LXZKKBNFSA-N 2 0 334.464 1.725 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)CCCCCC1 ZINC000418895099 304545840 /nfs/dbraw/zinc/54/58/40/304545840.db2.gz CGHSXRMIDVRCLR-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)[C@H](C)C[NH3+])c1ccsc1 ZINC000419376241 304601186 /nfs/dbraw/zinc/60/11/86/304601186.db2.gz SUHVTGUTQOHTDX-OCCSQVGLSA-N 2 0 340.493 1.053 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000414958342 299004786 /nfs/dbraw/zinc/00/47/86/299004786.db2.gz WPSSFCCESGIGTK-RCBQFDQVSA-N 2 0 332.448 1.634 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000356278869 300256172 /nfs/dbraw/zinc/25/61/72/300256172.db2.gz KFYCFMOXYOBENY-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419810212 304688182 /nfs/dbraw/zinc/68/81/82/304688182.db2.gz LIFREBSMRAHPMA-IAGOWNOFSA-N 2 0 348.491 1.237 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000419821944 304690401 /nfs/dbraw/zinc/69/04/01/304690401.db2.gz WABWBWAIVDPIMR-IAGOWNOFSA-N 2 0 346.475 1.039 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C(=O)c3cccn3C)CC2)CC1 ZINC000422025896 447314539 /nfs/dbraw/zinc/31/45/39/447314539.db2.gz SQVXBKMEPAAZEA-UHFFFAOYSA-N 2 0 346.475 1.226 20 0 EDADRP O=C(Cc1ccccc1F)N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420326238 304752158 /nfs/dbraw/zinc/75/21/58/304752158.db2.gz XAIAIGWJQIWCPE-MRXNPFEDSA-N 2 0 333.451 1.902 20 0 EDADRP Cc1cccn2c(C[NH2+][C@@H]3CCC(=O)N[C@H]3[C@@H]3CCCO3)cnc12 ZINC000377719079 447314810 /nfs/dbraw/zinc/31/48/10/447314810.db2.gz GSQFMFPTEAYTDT-HLLBOEOZSA-N 2 0 328.416 1.559 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420399121 304755454 /nfs/dbraw/zinc/75/54/54/304755454.db2.gz ZQVOOXHRKNAHCV-LXZKKBNFSA-N 2 0 325.497 1.898 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[NH+](C)C)cc1 ZINC000417309659 301715990 /nfs/dbraw/zinc/71/59/90/301715990.db2.gz JCBKABJSHTXJDG-HUUCEWRRSA-N 2 0 340.418 1.894 20 0 EDADRP Cc1ccccc1CN1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000372861761 447321831 /nfs/dbraw/zinc/32/18/31/447321831.db2.gz YOHLGKURFIUHER-IBGZPJMESA-N 2 0 342.487 1.029 20 0 EDADRP COCCC[NH+]1CCC(NCc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293802415 303021249 /nfs/dbraw/zinc/02/12/49/303021249.db2.gz CBZLJMCQVPXXCV-UHFFFAOYSA-N 2 0 333.432 1.608 20 0 EDADRP C[NH+](C)CCCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000294058568 303056916 /nfs/dbraw/zinc/05/69/16/303056916.db2.gz JWRIFJRUFKXQPK-CQSZACIVSA-N 2 0 328.254 1.691 20 0 EDADRP O=C1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1CC(F)(F)F ZINC000294205274 303077120 /nfs/dbraw/zinc/07/71/20/303077120.db2.gz MCNOGIRLBOQXKI-CQSZACIVSA-N 2 0 342.365 1.803 20 0 EDADRP CCn1cc([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000296009874 303289861 /nfs/dbraw/zinc/28/98/61/303289861.db2.gz LDMZBZLXTMXDEA-CRAIPNDOSA-N 2 0 343.475 1.973 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000458364993 447327457 /nfs/dbraw/zinc/32/74/57/447327457.db2.gz KNPQAXSGLPWURX-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000414875739 447338906 /nfs/dbraw/zinc/33/89/06/447338906.db2.gz JKYWYUGYLHICSI-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399232756 303857933 /nfs/dbraw/zinc/85/79/33/303857933.db2.gz GYWSOYBVQCUHDV-CABCVRRESA-N 2 0 341.496 1.821 20 0 EDADRP NC(=O)C1(O)CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411687458 303906120 /nfs/dbraw/zinc/90/61/20/303906120.db2.gz GDSPXHQAWRIKIH-UHFFFAOYSA-N 2 0 331.460 1.485 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H](C)C[NH3+])CC2)cc1 ZINC000414879039 447341016 /nfs/dbraw/zinc/34/10/16/447341016.db2.gz OUDIIQOKBAAQFB-CQSZACIVSA-N 2 0 325.478 1.333 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[C@@H]1CC[NH2+]C1 ZINC000422940029 304880714 /nfs/dbraw/zinc/88/07/14/304880714.db2.gz MXBVZFLCJSSFQT-YNEHKIRRSA-N 2 0 343.265 1.776 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000422959446 304880944 /nfs/dbraw/zinc/88/09/44/304880944.db2.gz SABMZDAHCGYPAP-OLZOCXBDSA-N 2 0 325.840 1.789 20 0 EDADRP CN(CC[NH2+][C@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000422998351 304882717 /nfs/dbraw/zinc/88/27/17/304882717.db2.gz PYLVPQFGRVYCMJ-STQMWFEESA-N 2 0 331.507 1.476 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)CCC[NH3+])C2=O)c(OC)c1 ZINC000423112178 304886763 /nfs/dbraw/zinc/88/67/63/304886763.db2.gz RNVIRXSOZAAEHM-BBRMVZONSA-N 2 0 335.448 1.522 20 0 EDADRP COc1ccc([C@H](NCCCN2CC[NH2+]CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423194759 304889170 /nfs/dbraw/zinc/88/91/70/304889170.db2.gz YRDKNLBGSADQEU-OALUTQOASA-N 2 0 332.492 1.373 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423235292 304890050 /nfs/dbraw/zinc/89/00/50/304890050.db2.gz QSMXYJRSHOBRNA-MAUKXSAKSA-N 2 0 325.460 1.862 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000423382857 304894187 /nfs/dbraw/zinc/89/41/87/304894187.db2.gz PEWGDHRSUUVWQE-HZPDHXFCSA-N 2 0 331.460 1.891 20 0 EDADRP CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H](C[NH3+])C1CC1 ZINC000423954862 304920901 /nfs/dbraw/zinc/92/09/01/304920901.db2.gz RYHIGJLKGNINEA-GOSISDBHSA-N 2 0 330.476 1.243 20 0 EDADRP [NH3+]C1(CNC(=O)CC2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424038366 304926000 /nfs/dbraw/zinc/92/60/00/304926000.db2.gz LKLQYYYDTMJOHX-UHFFFAOYSA-N 3 0 344.503 1.486 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000426899214 304984531 /nfs/dbraw/zinc/98/45/31/304984531.db2.gz ZGKAKUIFQDBRQE-BFYDXBDKSA-N 2 0 349.475 1.799 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](C)[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000428960318 305020961 /nfs/dbraw/zinc/02/09/61/305020961.db2.gz BHUXWUYOGQGZGS-AEFFLSMTSA-N 2 0 344.503 1.946 20 0 EDADRP C[C@@](C[NH3+])(NCC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CC1 ZINC000430569990 305056330 /nfs/dbraw/zinc/05/63/30/305056330.db2.gz JSRIDCJIBFDLDF-HNNXBMFYSA-N 2 0 345.365 1.918 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCOC2CCCCCC2)C1)N1CC[NH2+]CC1 ZINC000430612345 305058966 /nfs/dbraw/zinc/05/89/66/305058966.db2.gz SBZKICKUERTTCC-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]([C@H]2CCc3ccc(F)cc32)C1)N1CC[NH2+]CC1 ZINC000430615950 305059144 /nfs/dbraw/zinc/05/91/44/305059144.db2.gz DTVVBSZIIDNKTH-QAPCUYQASA-N 2 0 331.435 1.957 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000430622355 305059699 /nfs/dbraw/zinc/05/96/99/305059699.db2.gz LFZJXSRLSZJKKQ-KRWDZBQOSA-N 2 0 335.423 1.396 20 0 EDADRP CCc1cccc(OCC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430624755 305059763 /nfs/dbraw/zinc/05/97/63/305059763.db2.gz PKMKMWPWZINMNE-GOSISDBHSA-N 2 0 345.487 1.772 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)[C@]2(CCOC)CC[NH2+]C2)CC1 ZINC000430680561 305062258 /nfs/dbraw/zinc/06/22/58/305062258.db2.gz YPSIVMYRZMZNHS-SFHVURJKSA-N 2 0 325.497 1.583 20 0 EDADRP CC(C)(C[NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000430702550 305062963 /nfs/dbraw/zinc/06/29/63/305062963.db2.gz INPSTMANTPPTJJ-UHFFFAOYSA-N 2 0 332.448 1.307 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000430880202 305066823 /nfs/dbraw/zinc/06/68/23/305066823.db2.gz SEPNZNOZWFORBU-HZPDHXFCSA-N 2 0 344.459 1.465 20 0 EDADRP COc1ccc(NC(=O)NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000430935682 305069278 /nfs/dbraw/zinc/06/92/78/305069278.db2.gz VFSHYRZFRTURLR-GFCCVEGCSA-N 2 0 334.420 1.403 20 0 EDADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc2c(c1)OCO2 ZINC000431031022 305073255 /nfs/dbraw/zinc/07/32/55/305073255.db2.gz UAGPELKMWWFEON-UHFFFAOYSA-N 2 0 331.416 1.819 20 0 EDADRP C[C@@H]1CCCN(C(=O)C2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)C1 ZINC000431071035 305074172 /nfs/dbraw/zinc/07/41/72/305074172.db2.gz SHRANPCEVIUZBP-CYBMUJFWSA-N 2 0 349.479 1.734 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433148772 305101782 /nfs/dbraw/zinc/10/17/82/305101782.db2.gz BVXYEMNYYXNJIR-UHFFFAOYSA-N 3 0 332.492 1.568 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433328580 305105815 /nfs/dbraw/zinc/10/58/15/305105815.db2.gz AMVLZWYMXZTNHB-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380105 305106872 /nfs/dbraw/zinc/10/68/72/305106872.db2.gz YXDUJMPBMOCLEC-MRXNPFEDSA-N 2 0 346.479 1.339 20 0 EDADRP O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435235362 305137510 /nfs/dbraw/zinc/13/75/10/305137510.db2.gz DJGOIROOCQPGBU-RBUKOAKNSA-N 2 0 343.471 1.630 20 0 EDADRP COc1ccc(OCCC[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000436058913 305151606 /nfs/dbraw/zinc/15/16/06/305151606.db2.gz MDACIVUKNGDHLU-INIZCTEOSA-N 2 0 349.475 1.784 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000442135127 305225802 /nfs/dbraw/zinc/22/58/02/305225802.db2.gz TWDMXMUNJISYJP-BBRMVZONSA-N 2 0 332.448 1.286 20 0 EDADRP C[C@@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000443676076 305240769 /nfs/dbraw/zinc/24/07/69/305240769.db2.gz UQPNFLNFDMFDTG-OAHLLOKOSA-N 2 0 342.528 1.715 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000446647277 305268502 /nfs/dbraw/zinc/26/85/02/305268502.db2.gz ZTFYIYWEFOAWJD-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)COC1CCC([NH3+])CC1 ZINC000449074434 305305600 /nfs/dbraw/zinc/30/56/00/305305600.db2.gz BZJKFLSYESKSBF-UHFFFAOYSA-N 2 0 333.476 1.863 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCOCC(F)(F)F)CC1 ZINC000451996329 305377067 /nfs/dbraw/zinc/37/70/67/305377067.db2.gz XYUQHRRTNQUEKR-UHFFFAOYSA-N 2 0 325.419 1.961 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](CCCO)C1)c1ccccc1 ZINC000452126841 305384245 /nfs/dbraw/zinc/38/42/45/305384245.db2.gz VAINENCEHFZXKY-FUHWJXTLSA-N 2 0 333.476 1.500 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349414 305391303 /nfs/dbraw/zinc/39/13/03/305391303.db2.gz MRFBDBHYNQWRLP-OALUTQOASA-N 2 0 345.487 1.614 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414903033 447350401 /nfs/dbraw/zinc/35/04/01/447350401.db2.gz KXASQCBLHBMZFE-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cn(C)nc1C ZINC000448854378 447353806 /nfs/dbraw/zinc/35/38/06/447353806.db2.gz UTYXLYZRYUEDAZ-QGZVFWFLSA-N 2 0 335.496 1.146 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000414913811 447354828 /nfs/dbraw/zinc/35/48/28/447354828.db2.gz WXOOQGCAYJMDNN-WQVCFCJDSA-N 2 0 330.432 1.340 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000514672011 305701738 /nfs/dbraw/zinc/70/17/38/305701738.db2.gz GWMYYCLGCLODHR-ZHALLVOQSA-N 2 0 331.460 1.821 20 0 EDADRP CCOCC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000519827228 305776139 /nfs/dbraw/zinc/77/61/39/305776139.db2.gz YFUUWONBXUPHGD-QGZVFWFLSA-N 2 0 336.480 1.101 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000521841099 305793377 /nfs/dbraw/zinc/79/33/77/305793377.db2.gz WARMNVFTONISDV-HNNXBMFYSA-N 2 0 344.450 1.937 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)c1 ZINC000414940054 447365047 /nfs/dbraw/zinc/36/50/47/447365047.db2.gz GXAQITUEMVKHPL-CJNGLKHVSA-N 2 0 332.448 1.143 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CCOC(C)(C)C1 ZINC000542246936 306052300 /nfs/dbraw/zinc/05/23/00/306052300.db2.gz FBOGUFOLOGVFJA-UHFFFAOYSA-N 2 0 329.448 1.776 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000545176403 306081229 /nfs/dbraw/zinc/08/12/29/306081229.db2.gz KACVIRSDRVFRLY-IIDMSEBBSA-N 2 0 340.512 1.109 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000546590469 306093813 /nfs/dbraw/zinc/09/38/13/306093813.db2.gz BEFJAHCOHWCNCC-IBGZPJMESA-N 2 0 346.475 1.017 20 0 EDADRP O=C(C[NH2+][C@H]1CCCC12CCOCC2)NC1CC[NH+](C2CC2)CC1 ZINC000548800525 306138779 /nfs/dbraw/zinc/13/87/79/306138779.db2.gz UBHVGQXGHFJTDZ-KRWDZBQOSA-N 2 0 335.492 1.668 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000551642269 306159099 /nfs/dbraw/zinc/15/90/99/306159099.db2.gz VXDIMGXWNUMLKS-KRWDZBQOSA-N 2 0 348.491 1.124 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552049954 306174523 /nfs/dbraw/zinc/17/45/23/306174523.db2.gz KPGMWMJTQLRTFY-HUUCEWRRSA-N 2 0 346.475 1.694 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000553051057 306182289 /nfs/dbraw/zinc/18/22/89/306182289.db2.gz FVAAASOLJCBLFR-MRXNPFEDSA-N 2 0 330.476 1.714 20 0 EDADRP CC(C)C(=O)Nc1cccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000556938082 306221444 /nfs/dbraw/zinc/22/14/44/306221444.db2.gz WXVUUUPHKWPWRG-HNNXBMFYSA-N 2 0 333.436 1.388 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000557190474 306225981 /nfs/dbraw/zinc/22/59/81/306225981.db2.gz SMJVSZNEPIVMMN-FGTMMUONSA-N 2 0 339.443 1.293 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146297 447372150 /nfs/dbraw/zinc/37/21/50/447372150.db2.gz URGJHHPETRRKKW-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP CCCN(C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CC[NH2+]C1 ZINC000419722463 447372987 /nfs/dbraw/zinc/37/29/87/447372987.db2.gz MEIZSRSSLYDBSN-AWEZNQCLSA-N 2 0 338.496 1.012 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1O ZINC000426150183 447396377 /nfs/dbraw/zinc/39/63/77/447396377.db2.gz DKCSUSCRXGLGSR-HOCLYGCPSA-N 2 0 337.489 1.095 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415301084 447405283 /nfs/dbraw/zinc/40/52/83/447405283.db2.gz AVNDITIRRLCMGD-QGZVFWFLSA-N 2 0 344.459 1.479 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000060161918 441233994 /nfs/dbraw/zinc/23/39/94/441233994.db2.gz YHBJIFFZZKJXGL-UHFFFAOYSA-N 2 0 332.492 1.261 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000105114074 441235298 /nfs/dbraw/zinc/23/52/98/441235298.db2.gz HUPIZRALPHMBPS-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+](C)C2CCCC2)C[C@H](C)O1 ZINC000104780661 441208438 /nfs/dbraw/zinc/20/84/38/441208438.db2.gz ZDHSTXKARUNURG-IYBDPMFKSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081996590 441329591 /nfs/dbraw/zinc/32/95/91/441329591.db2.gz ZAGFORNKGLNQJK-QGZVFWFLSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073643745 441337787 /nfs/dbraw/zinc/33/77/87/441337787.db2.gz UJEPBIZVTUOLBI-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)[NH+](C)C ZINC000106904368 441386397 /nfs/dbraw/zinc/38/63/97/441386397.db2.gz FNYBIPRMTJISLP-ROUUACIJSA-N 2 0 333.476 1.762 20 0 EDADRP CCOc1cc(C[NH2+]CCN2CC[NH2+]CC2)cc(Cl)c1OC ZINC000106958908 441395068 /nfs/dbraw/zinc/39/50/68/441395068.db2.gz CFIQWXRGQKSTTM-UHFFFAOYSA-N 2 0 327.856 1.742 20 0 EDADRP C[C@@H]1CCC[C@@H](C)N1C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957715 441429001 /nfs/dbraw/zinc/42/90/01/441429001.db2.gz PTZPLFDZFDJKGS-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000074676469 441456132 /nfs/dbraw/zinc/45/61/32/441456132.db2.gz UTQQWCQCLKAERK-QGZVFWFLSA-N 2 0 346.519 1.752 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000108549810 441463184 /nfs/dbraw/zinc/46/31/84/441463184.db2.gz VMEYEHXONUGFJT-QGZVFWFLSA-N 2 0 348.491 1.768 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108561190 441465201 /nfs/dbraw/zinc/46/52/01/441465201.db2.gz CUPYJADLOFPAFK-MSOLQXFVSA-N 2 0 332.492 1.800 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000114562503 441667098 /nfs/dbraw/zinc/66/70/98/441667098.db2.gz MMYSMZPYSAIGRZ-SFHVURJKSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000415439064 447441698 /nfs/dbraw/zinc/44/16/98/447441698.db2.gz CFHHPISJJNPCFG-GJZGRUSLSA-N 2 0 332.448 1.239 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C(C)C)C2CCC2)C1 ZINC000077357709 441762017 /nfs/dbraw/zinc/76/20/17/441762017.db2.gz GGSZMFSPTHGJOV-QGZVFWFLSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000415440858 447442285 /nfs/dbraw/zinc/44/22/85/447442285.db2.gz MRZBRJZXIZYMKU-ZFWWWQNUSA-N 2 0 332.448 1.191 20 0 EDADRP C[C@H](CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C[NH+]1CCCC1 ZINC000121777203 441778074 /nfs/dbraw/zinc/77/80/74/441778074.db2.gz RBODDZQGWGBXON-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP COC[C@H](O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092416553 441797186 /nfs/dbraw/zinc/79/71/86/441797186.db2.gz JAFPVNLKAAJZAU-CQSZACIVSA-N 2 0 341.883 1.579 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000121932886 441814991 /nfs/dbraw/zinc/81/49/91/441814991.db2.gz HRGORWLMFUVLPF-PKOBYXMFSA-N 2 0 346.519 1.822 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000068598232 441830180 /nfs/dbraw/zinc/83/01/80/441830180.db2.gz YNTBJFOJDQMLDG-WMLDXEAASA-N 2 0 336.480 1.937 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CC1 ZINC000173894417 441856846 /nfs/dbraw/zinc/85/68/46/441856846.db2.gz JPVFZOZRGKQIAK-SFHVURJKSA-N 2 0 349.523 1.060 20 0 EDADRP COCc1ccccc1CNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124030648 441905963 /nfs/dbraw/zinc/90/59/63/441905963.db2.gz YBJVFTSUASSUIF-QAPCUYQASA-N 2 0 333.476 1.864 20 0 EDADRP COCc1ccccc1CNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000124030226 441906190 /nfs/dbraw/zinc/90/61/90/441906190.db2.gz YBJVFTSUASSUIF-CRAIPNDOSA-N 2 0 333.476 1.864 20 0 EDADRP O[C@H](COC1CCOCC1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000120183513 442024483 /nfs/dbraw/zinc/02/44/83/442024483.db2.gz QMYRXGDSXRYWFB-KRWDZBQOSA-N 2 0 326.481 1.351 20 0 EDADRP O=C1[C@H](N2CC[C@H](C[NH+]3CCCC3)C2)CCCN1CC(F)(F)F ZINC000151219068 442026366 /nfs/dbraw/zinc/02/63/66/442026366.db2.gz DHEYFBPZVRJIQP-ZIAGYGMSSA-N 2 0 333.398 1.957 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn2cccnc2n1 ZINC000125589732 442032844 /nfs/dbraw/zinc/03/28/44/442032844.db2.gz QKPJAYXXCUCMDU-HNNXBMFYSA-N 2 0 344.463 1.217 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000175737000 442113373 /nfs/dbraw/zinc/11/33/73/442113373.db2.gz JWOKUVNFKRYLER-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C2(OC)CC[NH2+]CC2)[NH+](C)C)c1 ZINC000163598489 442175734 /nfs/dbraw/zinc/17/57/34/442175734.db2.gz HJCCUYYLUVGWEH-MRXNPFEDSA-N 2 0 335.448 1.183 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176218036 442194247 /nfs/dbraw/zinc/19/42/47/442194247.db2.gz PLZBRVHERPMMPE-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP CCC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000121007362 442164413 /nfs/dbraw/zinc/16/44/13/442164413.db2.gz XINHGYIDAFHOJZ-QZTJIDSGSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)CC2 ZINC000168943940 442225486 /nfs/dbraw/zinc/22/54/86/442225486.db2.gz YIRONPBIKJZORX-HXUWFJFHSA-N 2 0 331.504 1.962 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000127944345 442235205 /nfs/dbraw/zinc/23/52/05/442235205.db2.gz MIJUCNGUDSWHSY-HZPDHXFCSA-N 2 0 329.510 1.407 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000153196298 442266715 /nfs/dbraw/zinc/26/67/15/442266715.db2.gz QHSQZDFIDOXPEY-UHFFFAOYSA-N 2 0 338.496 1.101 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000153788785 442303710 /nfs/dbraw/zinc/30/37/10/442303710.db2.gz MMXLJFCXBDTEQM-MRXNPFEDSA-N 2 0 346.475 1.453 20 0 EDADRP CN1Cc2ccc(NC(=O)C(=O)N3CCC[C@@H]([NH+](C)C)C3)cc2C1 ZINC000177528112 442353857 /nfs/dbraw/zinc/35/38/57/442353857.db2.gz ZSROMVHKXZVVQO-MRXNPFEDSA-N 2 0 330.432 1.123 20 0 EDADRP Cc1ccc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000130617226 442351738 /nfs/dbraw/zinc/35/17/38/442351738.db2.gz SBQYMTCUYJITLM-UHFFFAOYSA-N 2 0 334.464 1.194 20 0 EDADRP CC(C)C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCOCC1 ZINC000129427730 442315779 /nfs/dbraw/zinc/31/57/79/442315779.db2.gz LRYLPOULHJEYMR-SJORKVTESA-N 2 0 340.512 1.326 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc([C@@H]2CCCO2)n1 ZINC000131512399 442373924 /nfs/dbraw/zinc/37/39/24/442373924.db2.gz WEGOAPKNKOMOIZ-AWEZNQCLSA-N 2 0 340.493 1.560 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178214528 442415700 /nfs/dbraw/zinc/41/57/00/442415700.db2.gz DXCRVQGOZSZNOT-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000179700579 442490796 /nfs/dbraw/zinc/49/07/96/442490796.db2.gz HJISXZPPTHKKCZ-QGZVFWFLSA-N 2 0 338.540 1.593 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)[C@H]2C)C1 ZINC000172856567 442556851 /nfs/dbraw/zinc/55/68/51/442556851.db2.gz XXAWTZKUJJWFLH-BRWVUGGUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000180023009 442530513 /nfs/dbraw/zinc/53/05/13/442530513.db2.gz IGZJIOVCDBLHEU-HLLBOEOZSA-N 2 0 345.553 1.755 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000186586795 442566124 /nfs/dbraw/zinc/56/61/24/442566124.db2.gz OUIBRDLSJZTCFW-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C[N@H+](C)[C@H]2CCSC2)cc1F ZINC000135192390 442567179 /nfs/dbraw/zinc/56/71/79/442567179.db2.gz OCXBGZWAIHQPMG-HNNXBMFYSA-N 2 0 339.480 1.941 20 0 EDADRP COC(=O)c1ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000267929731 442790287 /nfs/dbraw/zinc/79/02/87/442790287.db2.gz NLHSWQCPHLXQQW-UHFFFAOYSA-N 2 0 325.453 1.772 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CCO1 ZINC000246538482 442791002 /nfs/dbraw/zinc/79/10/02/442791002.db2.gz SHOHGMORLHKFCB-MGNMYUMUSA-N 2 0 335.492 1.619 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246551945 442791770 /nfs/dbraw/zinc/79/17/70/442791770.db2.gz DFUNXEREZNJGCW-IRXDYDNUSA-N 2 0 338.496 1.082 20 0 EDADRP C[N@H+]1C[C@@H]2C[NH+]([C@@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622611 442760326 /nfs/dbraw/zinc/76/03/26/442760326.db2.gz JMQXDBRTPGNFGJ-RVKKMQEKSA-N 2 0 349.425 1.949 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000193690039 442767277 /nfs/dbraw/zinc/76/72/77/442767277.db2.gz KYSCZHHLEIFQJH-KRWDZBQOSA-N 2 0 346.475 1.208 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000247250414 442843904 /nfs/dbraw/zinc/84/39/04/442843904.db2.gz WDVOJWJIQFHPBW-CRAIPNDOSA-N 2 0 348.491 1.939 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000194274095 442869688 /nfs/dbraw/zinc/86/96/88/442869688.db2.gz XZMDKJNBUORISZ-UHFFFAOYSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000248568885 442901158 /nfs/dbraw/zinc/90/11/58/442901158.db2.gz CGLQBDFAIQIMNN-BQFCYCMXSA-N 2 0 348.491 1.386 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194434155 442896733 /nfs/dbraw/zinc/89/67/33/442896733.db2.gz URYLBHQRUOHFGC-IEBWSBKVSA-N 2 0 348.491 1.120 20 0 EDADRP O=C(NCCCn1ccnc1)c1ccccc1CN1CCOCC1 ZINC000265771305 442914699 /nfs/dbraw/zinc/91/46/99/442914699.db2.gz DXEKLVNMOZRPCX-UHFFFAOYSA-N 2 0 328.416 1.535 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000268255862 442920675 /nfs/dbraw/zinc/92/06/75/442920675.db2.gz HUFUXCVNDMPRSD-RHSMWYFYSA-N 2 0 346.475 1.138 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000268402740 442976037 /nfs/dbraw/zinc/97/60/37/442976037.db2.gz DGLMNOCGYJUNHV-UHFFFAOYSA-N 2 0 343.475 1.807 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266170418 443044722 /nfs/dbraw/zinc/04/47/22/443044722.db2.gz SDFWSQQYXMAKFM-QGZVFWFLSA-N 2 0 345.491 1.146 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@](C)(O)C(C)C)CC2)C1 ZINC000185002651 443115913 /nfs/dbraw/zinc/11/59/13/443115913.db2.gz WTJKRBRKQJJDLE-ROUUACIJSA-N 2 0 327.513 1.120 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N(Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000261724639 443166348 /nfs/dbraw/zinc/16/63/48/443166348.db2.gz JMESVTVLJKPAAL-OWCLPIDISA-N 2 0 349.500 1.725 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000261796882 443169858 /nfs/dbraw/zinc/16/98/58/443169858.db2.gz GVFCMAWTDRKDRB-OAHLLOKOSA-N 2 0 345.834 1.496 20 0 EDADRP Cc1ccc([C@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000266584501 443176348 /nfs/dbraw/zinc/17/63/48/443176348.db2.gz NBIXDYNDFXWYPA-GOSISDBHSA-N 2 0 333.476 1.418 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000238002284 443191870 /nfs/dbraw/zinc/19/18/70/443191870.db2.gz XCSLGTOKNWKZCE-INIZCTEOSA-N 2 0 335.492 1.527 20 0 EDADRP C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266739785 443225475 /nfs/dbraw/zinc/22/54/75/443225475.db2.gz NBQYOZDWMPYLSO-BQFCYCMXSA-N 2 0 333.476 1.468 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000262853047 443214883 /nfs/dbraw/zinc/21/48/83/443214883.db2.gz VOIQJFKKWAIZQC-IRXDYDNUSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[NH+]1CCCCCC1 ZINC000269162219 443218077 /nfs/dbraw/zinc/21/80/77/443218077.db2.gz NFSOXXLNRKEAJR-OAHLLOKOSA-N 2 0 331.464 1.694 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269248001 443249337 /nfs/dbraw/zinc/24/93/37/443249337.db2.gz WHBXIVBAKHJKKO-KRWDZBQOSA-N 2 0 349.475 1.402 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269250107 443250599 /nfs/dbraw/zinc/25/05/99/443250599.db2.gz OTQBBJJXWLWRSI-QAPCUYQASA-N 2 0 343.475 1.258 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000382724565 319124356 /nfs/dbraw/zinc/12/43/56/319124356.db2.gz QQLMTNLCBUBQML-WMZOPIPTSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000397522685 319135473 /nfs/dbraw/zinc/13/54/73/319135473.db2.gz VKJSFDFFMXROHG-GJZGRUSLSA-N 2 0 341.496 1.869 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269250829 443251275 /nfs/dbraw/zinc/25/12/75/443251275.db2.gz GQOXVHMHLCISNP-QRQLOZEOSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269250879 443251328 /nfs/dbraw/zinc/25/13/28/443251328.db2.gz GWOUXMAZOKZAEI-HKUYNNGSSA-N 2 0 345.487 1.878 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc(OC)cc3)CC2)CC1 ZINC000411456712 319182921 /nfs/dbraw/zinc/18/29/21/319182921.db2.gz GUNCRSDXRVSDFK-UHFFFAOYSA-N 2 0 331.460 1.874 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000411689714 319195837 /nfs/dbraw/zinc/19/58/37/319195837.db2.gz GDZJZUYVVZQSIJ-QUCCMNQESA-N 2 0 344.503 1.622 20 0 EDADRP C[C@@H]1C[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H](C)O1 ZINC000413739594 319289619 /nfs/dbraw/zinc/28/96/19/319289619.db2.gz BQRIHPQBBODTPQ-IKGGRYGDSA-N 2 0 342.528 1.715 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)cc1 ZINC000414679941 319340730 /nfs/dbraw/zinc/34/07/30/319340730.db2.gz MHRXQEGBSDJKTA-INIZCTEOSA-N 2 0 334.464 1.437 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000414693078 319343401 /nfs/dbraw/zinc/34/34/01/319343401.db2.gz BSGQVEWLAKJZLL-UHFFFAOYSA-N 2 0 346.475 1.855 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415735927 319367690 /nfs/dbraw/zinc/36/76/90/319367690.db2.gz ZVPZNSJRCCQHIX-ZIAGYGMSSA-N 2 0 346.475 1.709 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H]2C)c1 ZINC000415747173 319369409 /nfs/dbraw/zinc/36/94/09/319369409.db2.gz PLYIBUWYEVNILN-XJKSGUPXSA-N 2 0 332.448 1.415 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415954556 319384144 /nfs/dbraw/zinc/38/41/44/319384144.db2.gz KOPJENXLZVUEGP-UHFFFAOYSA-N 2 0 338.427 1.561 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000416246738 319405048 /nfs/dbraw/zinc/40/50/48/319405048.db2.gz VUNACIDJWBDICF-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCCO1 ZINC000246208389 443279266 /nfs/dbraw/zinc/27/92/66/443279266.db2.gz JZSAGDYSKNMEJP-SJLPKXTDSA-N 2 0 340.512 1.613 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CCC[NH2+][C@@H]1C)[NH+]1CCOCC1 ZINC000416943684 319481111 /nfs/dbraw/zinc/48/11/11/319481111.db2.gz COZDSAOJLVIUBE-PVAVHDDUSA-N 2 0 340.512 1.563 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000282397778 443327156 /nfs/dbraw/zinc/32/71/56/443327156.db2.gz KHNABCMQHZGSQR-SQNIBIBYSA-N 2 0 343.471 1.883 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000417328231 319492316 /nfs/dbraw/zinc/49/23/16/319492316.db2.gz SEYCNGFINLFWIY-HNNXBMFYSA-N 2 0 348.495 1.150 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490582 443337146 /nfs/dbraw/zinc/33/71/46/443337146.db2.gz CCGRYVICRJNSGO-JFRXWTBNSA-N 2 0 345.487 1.468 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418795116 319512869 /nfs/dbraw/zinc/51/28/69/319512869.db2.gz RWQWEEYHHUHPNR-HZPDHXFCSA-N 3 0 327.517 1.029 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC[C@H]2C1 ZINC000264763492 443413077 /nfs/dbraw/zinc/41/30/77/443413077.db2.gz QPPLIUDUKWQAPZ-MSOLQXFVSA-N 2 0 328.460 1.751 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO)[NH+](C)C ZINC000272776684 443440431 /nfs/dbraw/zinc/44/04/31/443440431.db2.gz APEGAJGVFUJUEO-OALUTQOASA-N 2 0 347.503 1.846 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423368109 319768023 /nfs/dbraw/zinc/76/80/23/319768023.db2.gz CYDBSYKLOGSLJF-AEGPPILISA-N 2 0 325.478 1.857 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000423383203 319769146 /nfs/dbraw/zinc/76/91/46/319769146.db2.gz PGHSWYLPAGXAAT-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000423741912 319809253 /nfs/dbraw/zinc/80/92/53/319809253.db2.gz YOZZWMHSNREZPJ-SFHVURJKSA-N 2 0 339.443 1.780 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000423901390 319826055 /nfs/dbraw/zinc/82/60/55/319826055.db2.gz TYFKYQBYFATLKD-CMKODMSKSA-N 2 0 343.471 1.948 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000429186341 319923976 /nfs/dbraw/zinc/92/39/76/319923976.db2.gz WYMIVUIUJROXQK-GOSISDBHSA-N 2 0 332.492 1.688 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cn3ccccc3n2)CC1 ZINC000433138103 319971430 /nfs/dbraw/zinc/97/14/30/319971430.db2.gz WMKSQKXPGMWZPR-UHFFFAOYSA-N 2 0 329.448 1.196 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@H](CO)Cc2ccccc2)CC1 ZINC000433162502 319972807 /nfs/dbraw/zinc/97/28/07/319972807.db2.gz ZUJBKBZXUCNOTE-QGZVFWFLSA-N 2 0 333.476 1.157 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438571744 320036276 /nfs/dbraw/zinc/03/62/76/320036276.db2.gz ANIQRJBXOXHJQZ-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440274409 320068231 /nfs/dbraw/zinc/06/82/31/320068231.db2.gz TZFGHSSUHKGOKP-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cc(C)n2c(C[NH2+]CCN3CC[N@@H+](C)C(C)(C)C3)cnc2n1 ZINC000441346140 320093446 /nfs/dbraw/zinc/09/34/46/320093446.db2.gz JEEGHORPNMMFHW-UHFFFAOYSA-N 2 0 330.480 1.462 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444267912 320123300 /nfs/dbraw/zinc/12/33/00/320123300.db2.gz UVUQAVKRMQDCJR-LPHOPBHVSA-N 2 0 328.460 1.685 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CC[NH2+]3)cc2)CC1 ZINC000444272204 320124096 /nfs/dbraw/zinc/12/40/96/320124096.db2.gz WQHDVFNMYUWBTG-OAHLLOKOSA-N 2 0 331.420 1.203 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000449714303 320201201 /nfs/dbraw/zinc/20/12/01/320201201.db2.gz ZYNGBNONBZKRGQ-SFHVURJKSA-N 2 0 349.475 1.516 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC[C@H](C(N)=O)C2)CC1 ZINC000449746309 320203851 /nfs/dbraw/zinc/20/38/51/320203851.db2.gz RDDPFJLPOHNZJR-FUHWJXTLSA-N 2 0 344.503 1.962 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccnn2CCCOC)CC1 ZINC000449746296 320203861 /nfs/dbraw/zinc/20/38/61/320203861.db2.gz RBDFPQJIYKPICL-UHFFFAOYSA-N 2 0 337.512 1.425 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(=O)OC)c2)CC1 ZINC000449745709 320203965 /nfs/dbraw/zinc/20/39/65/320203965.db2.gz OIJPWXYLCBCWOH-UHFFFAOYSA-N 2 0 333.476 1.979 20 0 EDADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449745446 320204198 /nfs/dbraw/zinc/20/41/98/320204198.db2.gz BZJBBZMTGTWNFE-SJORKVTESA-N 2 0 331.485 1.669 20 0 EDADRP CC1(C)[NH2+]CC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000449754310 320205441 /nfs/dbraw/zinc/20/54/41/320205441.db2.gz QIWXGEZEEZTQOS-GOSISDBHSA-N 2 0 344.503 1.846 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457453771 320326459 /nfs/dbraw/zinc/32/64/59/320326459.db2.gz UFUKUOXXFOVTGO-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000458735656 320339945 /nfs/dbraw/zinc/33/99/45/320339945.db2.gz UDPAMNZPQZBDNX-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1C[C@H](C)O ZINC000276461483 443714423 /nfs/dbraw/zinc/71/44/23/443714423.db2.gz AFVZENNHRLTWDD-KXBFYZLASA-N 2 0 345.487 1.292 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000520219154 320475798 /nfs/dbraw/zinc/47/57/98/320475798.db2.gz WVZAEKZXSDCZCK-INIZCTEOSA-N 2 0 334.439 1.047 20 0 EDADRP CN(C)c1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cn1 ZINC000298898763 443896309 /nfs/dbraw/zinc/89/63/09/443896309.db2.gz YTODTLKKOFHGOS-UHFFFAOYSA-N 2 0 331.464 1.821 20 0 EDADRP C[C@@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1ccccc1 ZINC000288576661 443923920 /nfs/dbraw/zinc/92/39/20/443923920.db2.gz BCVZQZZZFMHYRV-QGZVFWFLSA-N 2 0 334.508 1.679 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000299419920 444042030 /nfs/dbraw/zinc/04/20/30/444042030.db2.gz HGDVCVUVQYSTGL-IBGZPJMESA-N 2 0 345.487 1.832 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@H](C)C(=O)NCC(=O)OC ZINC000560407521 321026789 /nfs/dbraw/zinc/02/67/89/321026789.db2.gz YFLAKHQQEFQCFO-QLFBSQMISA-N 2 0 327.469 1.154 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000561000158 321030782 /nfs/dbraw/zinc/03/07/82/321030782.db2.gz BLPUBWQSWZYMCB-QGZVFWFLSA-N 2 0 345.443 1.261 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000561110449 321032893 /nfs/dbraw/zinc/03/28/93/321032893.db2.gz BSIYQJBVFONVPS-ROUUACIJSA-N 2 0 346.475 1.501 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000561215805 321036664 /nfs/dbraw/zinc/03/66/64/321036664.db2.gz HARMOMOMTZPCKO-CALCHBBNSA-N 2 0 349.523 1.106 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H](O)CNc2ccccc2CC[NH+](C)C)C[C@@H](C)O1 ZINC000563010788 321087547 /nfs/dbraw/zinc/08/75/47/321087547.db2.gz WOQRBCRXQKQGNY-NUJGCVRESA-N 2 0 335.492 1.673 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(n1)CCCC2=O ZINC000563938958 321116497 /nfs/dbraw/zinc/11/64/97/321116497.db2.gz NJFUXXHCZIXNAZ-UHFFFAOYSA-N 2 0 347.463 1.558 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000566089067 321214241 /nfs/dbraw/zinc/21/42/41/321214241.db2.gz IWERTNRSMSUWCW-WNHJNPCNSA-N 2 0 333.476 1.229 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000566907837 321236055 /nfs/dbraw/zinc/23/60/55/321236055.db2.gz UWNAODLOLQWPRI-IBGZPJMESA-N 2 0 347.503 1.991 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000567478676 321243573 /nfs/dbraw/zinc/24/35/73/321243573.db2.gz MYSCIONMTMTNEM-HKUYNNGSSA-N 2 0 342.487 1.905 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000568161604 321277607 /nfs/dbraw/zinc/27/76/07/321277607.db2.gz DXNBHUGZMZEIGA-VQIMIIECSA-N 2 0 344.503 1.710 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)n1 ZINC000568201274 321280475 /nfs/dbraw/zinc/28/04/75/321280475.db2.gz LLPZDAQTYHGHOL-INIZCTEOSA-N 2 0 333.480 1.393 20 0 EDADRP CCC[C@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[N@@H+]1CCOC ZINC000568396850 321289918 /nfs/dbraw/zinc/28/99/18/321289918.db2.gz YVBNHUWWWMDWIM-GJZGRUSLSA-N 2 0 329.510 1.041 20 0 EDADRP CCc1noc(-c2ccc(CC[NH2+]C[C@H](O)CN(C)C3CC3)cc2)n1 ZINC000568501536 321294560 /nfs/dbraw/zinc/29/45/60/321294560.db2.gz YTZHQGMPKYFZTM-KRWDZBQOSA-N 2 0 344.459 1.886 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000569218954 321321667 /nfs/dbraw/zinc/32/16/67/321321667.db2.gz ISTASFYPIRXLQB-HNNXBMFYSA-N 2 0 346.475 1.492 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000570814840 321359968 /nfs/dbraw/zinc/35/99/68/321359968.db2.gz QIKGJTQLEZHGEZ-CVEARBPZSA-N 2 0 338.496 1.448 20 0 EDADRP CN(C)CC(=O)Nc1ccc(NC(=O)[C@@H](N)c2cscn2)cc1 ZINC000571676468 321397033 /nfs/dbraw/zinc/39/70/33/321397033.db2.gz VAHUMRBWRSVFPQ-AWEZNQCLSA-N 2 0 333.417 1.282 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000573463811 321455841 /nfs/dbraw/zinc/45/58/41/321455841.db2.gz VTPLBNYCDRDHLG-HDICACEKSA-N 2 0 343.475 1.582 20 0 EDADRP COC(=O)c1ccc([C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000289504516 444160916 /nfs/dbraw/zinc/16/09/16/444160916.db2.gz ULBLNTIYBVDRLU-AWEZNQCLSA-N 2 0 325.453 1.943 20 0 EDADRP C[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[NH2+]C1 ZINC000574683615 321495478 /nfs/dbraw/zinc/49/54/78/321495478.db2.gz UUPDJOZZHCVTGH-LSDHHAIUSA-N 2 0 336.480 1.609 20 0 EDADRP C[C@H]([NH2+]CCCn1cc(CO)nn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000289817641 444207352 /nfs/dbraw/zinc/20/73/52/444207352.db2.gz OVILMSVUHMPFRM-HNNXBMFYSA-N 2 0 347.463 1.452 20 0 EDADRP CCc1cc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000302696226 444220277 /nfs/dbraw/zinc/22/02/77/444220277.db2.gz WLQKYRVOFCMMJJ-QGZVFWFLSA-N 2 0 342.487 1.842 20 0 EDADRP Cc1[nH+]c2ccccc2c(N(C)C[C@H](O)C[NH+]2CCN(C)CC2)c1C ZINC000302711812 444220882 /nfs/dbraw/zinc/22/08/82/444220882.db2.gz ZQRDOWSUKRSJKH-KRWDZBQOSA-N 2 0 342.487 1.896 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000576157875 321544578 /nfs/dbraw/zinc/54/45/78/321544578.db2.gz UOULGUYCKBYWBH-RDJZCZTQSA-N 2 0 342.447 1.063 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000576212357 321547049 /nfs/dbraw/zinc/54/70/49/321547049.db2.gz XZZHUZDJKDPMHA-CVEARBPZSA-N 2 0 326.485 1.302 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1 ZINC000576492686 321571706 /nfs/dbraw/zinc/57/17/06/321571706.db2.gz WOELOMQKJDFLJK-HOCLYGCPSA-N 2 0 328.391 1.718 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000576815994 321598375 /nfs/dbraw/zinc/59/83/75/321598375.db2.gz FUVPDBMBTUQHEA-PMACEKPBSA-N 2 0 349.519 1.741 20 0 EDADRP CC[N@H+](CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1CO)C1CC1 ZINC000305680449 444272651 /nfs/dbraw/zinc/27/26/51/444272651.db2.gz MQGANNYXORTSPT-PKOBYXMFSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000304226495 444243587 /nfs/dbraw/zinc/24/35/87/444243587.db2.gz LGFZXMNOUIGGOF-VVLHAWIVSA-N 2 0 325.497 1.457 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(-n2ccnc2)c1 ZINC000290392744 444275445 /nfs/dbraw/zinc/27/54/45/444275445.db2.gz RWUHVWUQGVTIKC-CQSZACIVSA-N 2 0 343.431 1.656 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577845414 321687331 /nfs/dbraw/zinc/68/73/31/321687331.db2.gz DOTUUNYEKNWILQ-AYOQOUSVSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])CC(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309812169 444290255 /nfs/dbraw/zinc/29/02/55/444290255.db2.gz WTQGUEIYIDHYHU-AEGPPILISA-N 2 0 325.403 1.996 20 0 EDADRP C[N@H+](CC(=O)NCCC[NH+]1CCc2ccccc2C1)[C@H]1CCSC1 ZINC000339976375 444346503 /nfs/dbraw/zinc/34/65/03/444346503.db2.gz SXDXNPUUBPHJIW-SFHVURJKSA-N 2 0 347.528 1.988 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337693462 444356956 /nfs/dbraw/zinc/35/69/56/444356956.db2.gz ONXZTVHTMNZUAA-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cn[nH]c1 ZINC000340514917 444421298 /nfs/dbraw/zinc/42/12/98/444421298.db2.gz QKAXSMMTCQBCBH-RHSMWYFYSA-N 2 0 329.448 1.349 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000340517308 444422402 /nfs/dbraw/zinc/42/24/02/444422402.db2.gz MZQJHDUBOBHNPX-MSOLQXFVSA-N 2 0 329.448 1.413 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)ccn2)CC1 ZINC000578992826 321866097 /nfs/dbraw/zinc/86/60/97/321866097.db2.gz PSPVNFLTKBVZPM-ZBFHGGJFSA-N 2 0 331.464 1.081 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@@H]23)[C@@H](C)C1 ZINC000338009831 444485734 /nfs/dbraw/zinc/48/57/34/444485734.db2.gz WUPAVLKIINYBRW-FJIDUMEYSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000580074343 322006290 /nfs/dbraw/zinc/00/62/90/322006290.db2.gz PFKZUWIJSRZDBZ-ZMSDIMECSA-N 2 0 346.475 1.182 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580307623 322034135 /nfs/dbraw/zinc/03/41/35/322034135.db2.gz YKXCDTSPUOMFSR-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)C3CC([NH3+])C3)c2)CC1 ZINC000580537781 322063111 /nfs/dbraw/zinc/06/31/11/322063111.db2.gz LRSOTPGOHMZCAF-UHFFFAOYSA-N 2 0 331.464 1.782 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000580702988 322083942 /nfs/dbraw/zinc/08/39/42/322083942.db2.gz QFWZTZQHLWAVMX-OAHLLOKOSA-N 2 0 329.448 1.671 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000580881906 322106908 /nfs/dbraw/zinc/10/69/08/322106908.db2.gz GARPANLPWRLTRP-OAHLLOKOSA-N 2 0 347.463 1.312 20 0 EDADRP C[C@H](CN1CCOCC1)N(C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000581777583 322219591 /nfs/dbraw/zinc/21/95/91/322219591.db2.gz WVYJTTSPFSNNDB-QAPCUYQASA-N 2 0 346.475 1.236 20 0 EDADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000581997047 322242241 /nfs/dbraw/zinc/24/22/41/322242241.db2.gz KBRMKLZUJIJYCX-ZIAGYGMSSA-N 2 0 335.448 1.217 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCCC[N@H+](C)C2CCCCC2)n1 ZINC000582012193 322245225 /nfs/dbraw/zinc/24/52/25/322245225.db2.gz ZNWXFMZOCZQCFP-UHFFFAOYSA-N 2 0 335.496 1.829 20 0 EDADRP CCc1cc(NCCN2CCN(C(=O)C3CCC3)CC2)nc(C)n1 ZINC000329295345 444524502 /nfs/dbraw/zinc/52/45/02/444524502.db2.gz KAIJLZDLQPAQJA-UHFFFAOYSA-N 2 0 331.464 1.704 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000343694891 444526471 /nfs/dbraw/zinc/52/64/71/444526471.db2.gz PXIPCTRDQVKJEG-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP C[C@H](NCC1([NH3+])CCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000342142464 444530627 /nfs/dbraw/zinc/53/06/27/444530627.db2.gz QELIGFNQYLBXQA-INIZCTEOSA-N 2 0 344.503 1.627 20 0 EDADRP C[C@H]([NH2+]CCn1nc2ccccn2c1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000329403789 444565372 /nfs/dbraw/zinc/56/53/72/444565372.db2.gz CGNWDIDDGAFPIE-HOTGVXAUSA-N 2 0 343.475 1.739 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343767296 444576269 /nfs/dbraw/zinc/57/62/69/444576269.db2.gz GZPKUVUXOMFTAG-VGUREELVSA-N 2 0 349.519 1.818 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C1([NH3+])CCOCC1)c1ccccc1 ZINC000338154709 444539013 /nfs/dbraw/zinc/53/90/13/444539013.db2.gz RYDVDERPBRYQRU-QGZVFWFLSA-N 2 0 349.475 1.320 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343817655 444608981 /nfs/dbraw/zinc/60/89/81/444608981.db2.gz OHNVXHMRSVPWPL-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP CN(C)c1ncc(CNC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)n1C ZINC000332972359 444616707 /nfs/dbraw/zinc/61/67/07/444616707.db2.gz ZYHGJHUEFSRNNL-ZFWWWQNUSA-N 2 0 334.468 1.112 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000340996493 444621309 /nfs/dbraw/zinc/62/13/09/444621309.db2.gz SPBIMXAKQKVEPU-UHFFFAOYSA-N 2 0 342.528 1.909 20 0 EDADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000333288707 444653945 /nfs/dbraw/zinc/65/39/45/444653945.db2.gz OAVJZSXMOCVJDI-CVEARBPZSA-N 2 0 325.416 1.338 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000333330803 444658158 /nfs/dbraw/zinc/65/81/58/444658158.db2.gz OGCWFHWTGBJYLE-CYBMUJFWSA-N 2 0 332.448 1.599 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2C[NH2+]Cc2cnnn2C)C[C@@H](C)O1 ZINC000343928034 444675281 /nfs/dbraw/zinc/67/52/81/444675281.db2.gz CGUCOESBYIAQBF-HUUCEWRRSA-N 2 0 329.448 1.714 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000341021315 444636631 /nfs/dbraw/zinc/63/66/31/444636631.db2.gz SUQNUEARYRYIGV-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CCSC1 ZINC000333126347 444641402 /nfs/dbraw/zinc/64/14/02/444641402.db2.gz BCTPZJICZNRLMC-AYDFFVQHSA-N 2 0 326.510 1.193 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CC[NH2+]CC1 ZINC000333856374 444703523 /nfs/dbraw/zinc/70/35/23/444703523.db2.gz RAJBSDRPLGMRDQ-JKSUJKDBSA-N 2 0 338.496 1.128 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)cn1 ZINC000333895333 444711085 /nfs/dbraw/zinc/71/10/85/444711085.db2.gz YZBVREDKHRQVEC-DOTOQJQBSA-N 2 0 348.495 1.118 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000341201643 444725628 /nfs/dbraw/zinc/72/56/28/444725628.db2.gz LTOLYFWYUYGRCY-IAGOWNOFSA-N 3 0 341.544 1.384 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000343942754 444684945 /nfs/dbraw/zinc/68/49/45/444684945.db2.gz UMOOLQCTDWCORS-ZWKOTPCHSA-N 2 0 327.432 1.481 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000341123079 444684932 /nfs/dbraw/zinc/68/49/32/444684932.db2.gz KRFPNSFJDZMHRP-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342422559 444685799 /nfs/dbraw/zinc/68/57/99/444685799.db2.gz HASWXRHJJAPJFR-GOEBONIOSA-N 2 0 325.522 1.614 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000342549655 444740560 /nfs/dbraw/zinc/74/05/60/444740560.db2.gz WYKXGSNBZBTIHE-OWCLPIDISA-N 2 0 325.497 1.865 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H](C)C(=O)NCC(C)C ZINC000344123852 444794400 /nfs/dbraw/zinc/79/44/00/444794400.db2.gz HBWLRFJALLJANW-KRWDZBQOSA-N 2 0 326.529 1.497 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCC2 ZINC000344138476 444802376 /nfs/dbraw/zinc/80/23/76/444802376.db2.gz NJPJCWFAIACFDA-QZTJIDSGSA-N 2 0 339.524 1.314 20 0 EDADRP CCC[N@H+](CCO[C@@H]1CCCCO1)CCN1CC[NH+](CC)CC1 ZINC000344148723 444807855 /nfs/dbraw/zinc/80/78/55/444807855.db2.gz DUGGBOHZXRDXQK-GOSISDBHSA-N 2 0 327.513 1.879 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341463749 444845126 /nfs/dbraw/zinc/84/51/26/444845126.db2.gz QDHLEWZPAJZVQE-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP CN(c1ccccc1C[NH2+][C@@H]1CCC(=O)NC1)C1CC[NH+](C)CC1 ZINC000344263653 444870493 /nfs/dbraw/zinc/87/04/93/444870493.db2.gz QNLLSZLEFSZAMF-MRXNPFEDSA-N 2 0 330.476 1.585 20 0 EDADRP COC[C@H]1C[C@@H](OC)C[N@@H+]1C[C@H](C)C[NH+]1C[C@@H](OC)C[C@H]1COC ZINC000344344202 444907431 /nfs/dbraw/zinc/90/74/31/444907431.db2.gz CBNCDWZJPVDVEF-IJTOGUNISA-N 2 0 344.496 1.094 20 0 EDADRP COc1ncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)n1 ZINC000337199801 444983232 /nfs/dbraw/zinc/98/32/32/444983232.db2.gz ZDGHEYXXJGEFQW-UHFFFAOYSA-N 2 0 334.464 1.870 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(O[C@H]3CCOC3)CC2)CC1 ZINC000337249405 445002663 /nfs/dbraw/zinc/00/26/63/445002663.db2.gz LVLGLRNUGINAPG-IBGZPJMESA-N 2 0 339.524 1.672 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343031386 445018155 /nfs/dbraw/zinc/01/81/55/445018155.db2.gz AWWNDBXZEYMCSU-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](S(C)(=O)=O)CC2)CC1 ZINC000337396249 445062225 /nfs/dbraw/zinc/06/22/25/445062225.db2.gz JBIPMCYFKUKMQM-QGZVFWFLSA-N 2 0 345.553 1.302 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000343178849 445119533 /nfs/dbraw/zinc/11/95/33/445119533.db2.gz UWFHBDMTLVGIAN-JKSUJKDBSA-N 2 0 340.512 1.071 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCn1cccn1 ZINC000337569665 445142674 /nfs/dbraw/zinc/14/26/74/445142674.db2.gz BYJKFNLVKDYBLX-QGZVFWFLSA-N 2 0 335.496 1.538 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1F ZINC000345699683 445196837 /nfs/dbraw/zinc/19/68/37/445196837.db2.gz UMSXZZDNFJWWRS-WCQYABFASA-N 2 0 326.322 1.747 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000351745547 445305188 /nfs/dbraw/zinc/30/51/88/445305188.db2.gz NSOWBHNINJUMCG-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP COc1cc(NC(=O)CN2CC[C@H]([C@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849125 445342009 /nfs/dbraw/zinc/34/20/09/445342009.db2.gz FOTVQHBBEFLYLL-RYUDHWBXSA-N 2 0 337.420 1.320 20 0 EDADRP O=C([C@H]1CCC[N@@H+](CCCc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000348757329 445364113 /nfs/dbraw/zinc/36/41/13/445364113.db2.gz VFPYODXVJBEFNM-KRWDZBQOSA-N 2 0 333.451 1.902 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000357079201 445413054 /nfs/dbraw/zinc/41/30/54/445413054.db2.gz DAZMPMSELKQEGG-ROUUACIJSA-N 2 0 343.471 1.428 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357091762 445422596 /nfs/dbraw/zinc/42/25/96/445422596.db2.gz WYINKAPTGTZREU-QGZVFWFLSA-N 2 0 331.460 1.633 20 0 EDADRP COC(=O)COc1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1 ZINC000351928193 445381121 /nfs/dbraw/zinc/38/11/21/445381121.db2.gz GPHSYYNJDIYVOU-MRXNPFEDSA-N 2 0 349.475 1.354 20 0 EDADRP C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000354959136 445436591 /nfs/dbraw/zinc/43/65/91/445436591.db2.gz NSUAKHGPRDGZPM-LSDHHAIUSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563298 445441098 /nfs/dbraw/zinc/44/10/98/445441098.db2.gz XVQWSTTXDAYPNR-HZPDHXFCSA-N 2 0 341.459 1.389 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362570400 445445225 /nfs/dbraw/zinc/44/52/25/445445225.db2.gz RFXOMDLQWCVTHV-GJZGRUSLSA-N 2 0 331.464 1.481 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCCCC[NH+]1CCC[C@H]1CO ZINC000355262376 445452757 /nfs/dbraw/zinc/45/27/57/445452757.db2.gz DEBLDKWEAJOBEV-SJORKVTESA-N 2 0 325.497 1.604 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C1 ZINC000357253959 445509968 /nfs/dbraw/zinc/50/99/68/445509968.db2.gz XRIKAFZXLAZGBH-YQVWRLOYSA-N 2 0 337.508 1.726 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000359924246 445490682 /nfs/dbraw/zinc/49/06/82/445490682.db2.gz NBGFXBQLBSVPRH-CVEARBPZSA-N 2 0 342.528 1.593 20 0 EDADRP C[C@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000357243080 445502167 /nfs/dbraw/zinc/50/21/67/445502167.db2.gz PYLMUWMUCIXCKB-KRWDZBQOSA-N 2 0 344.503 1.166 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353445380 445605209 /nfs/dbraw/zinc/60/52/09/445605209.db2.gz WIFKSMHLSAAQOC-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000353464736 445613842 /nfs/dbraw/zinc/61/38/42/445613842.db2.gz WKIYPOYKPJFRCS-QAPCUYQASA-N 2 0 346.475 1.834 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000353473782 445617542 /nfs/dbraw/zinc/61/75/42/445617542.db2.gz VJGLPNCTVMGEJG-DLBZAZTESA-N 2 0 337.508 1.772 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NCCCOC1CCCCC1 ZINC000358505609 445623256 /nfs/dbraw/zinc/62/32/56/445623256.db2.gz KNSALFIYVOOUCD-UHFFFAOYSA-N 2 0 337.508 1.918 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000358530865 445637033 /nfs/dbraw/zinc/63/70/33/445637033.db2.gz SMJNXMJMUWDVSN-SCTDSRPQSA-N 2 0 339.524 1.264 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccco1 ZINC000356154320 445651611 /nfs/dbraw/zinc/65/16/11/445651611.db2.gz NSVKRVHKLCIWKF-MRXNPFEDSA-N 2 0 345.447 1.891 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000349710581 445652364 /nfs/dbraw/zinc/65/23/64/445652364.db2.gz GCEPSBXANZKOSS-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000349787042 445678612 /nfs/dbraw/zinc/67/86/12/445678612.db2.gz ZUUFAURHYGFMEB-AWEZNQCLSA-N 2 0 327.494 1.755 20 0 EDADRP CN(C)C(=O)c1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)[nH]1 ZINC000349847394 445697217 /nfs/dbraw/zinc/69/72/17/445697217.db2.gz FNCSMMMWJMGZMW-UHFFFAOYSA-N 2 0 335.496 1.222 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353588914 445668681 /nfs/dbraw/zinc/66/86/81/445668681.db2.gz OEPWJOMGRIRACT-KZNAEPCWSA-N 2 0 345.487 1.816 20 0 EDADRP C[C@H](CNC(=O)NCCNc1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000349983924 445741148 /nfs/dbraw/zinc/74/11/48/445741148.db2.gz CLFCRURYARLKGE-MRXNPFEDSA-N 2 0 341.459 1.735 20 0 EDADRP COC(=O)CN1CCC([NH2+]CC2(SC)CC[NH+](C)CC2)CC1 ZINC000356352475 445748687 /nfs/dbraw/zinc/74/86/87/445748687.db2.gz BBLBNVKGZJQGOG-UHFFFAOYSA-N 2 0 329.510 1.041 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353798246 445761177 /nfs/dbraw/zinc/76/11/77/445761177.db2.gz AFGJDYIUGSBOQX-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863234 445818063 /nfs/dbraw/zinc/81/80/63/445818063.db2.gz VLULMCNBTLNTBM-RHSMWYFYSA-N 2 0 336.455 1.010 20 0 EDADRP CC(C)N1CCC[C@@H]([N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1=O ZINC000363477997 445820104 /nfs/dbraw/zinc/82/01/04/445820104.db2.gz FDPFFUCEDPMKKY-ZWKOTPCHSA-N 2 0 336.524 1.486 20 0 EDADRP Cc1ncc([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)c(C)n1 ZINC000361495854 445787636 /nfs/dbraw/zinc/78/76/36/445787636.db2.gz HSRVIBANWJZCJM-HNNXBMFYSA-N 2 0 335.496 1.134 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000353863351 445788439 /nfs/dbraw/zinc/78/84/39/445788439.db2.gz VXURTRKGXLYVAT-OALUTQOASA-N 2 0 349.519 1.964 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000354068454 445885722 /nfs/dbraw/zinc/88/57/22/445885722.db2.gz OTDYSWFHQZSJLD-GOSISDBHSA-N 2 0 349.475 1.148 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)[C@H](C)C1 ZINC000361629026 445856086 /nfs/dbraw/zinc/85/60/86/445856086.db2.gz XGVCMYBZEKMURK-PBHICJAKSA-N 2 0 334.464 1.407 20 0 EDADRP CCC[C@@H](C(=O)N(CCC)CCN1CC[NH+](CC)CC1)[NH+](C)C ZINC000356580367 445870361 /nfs/dbraw/zinc/87/03/61/445870361.db2.gz PFTDQMDFFACMAR-KRWDZBQOSA-N 2 0 326.529 1.593 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000372945632 445936715 /nfs/dbraw/zinc/93/67/15/445936715.db2.gz IATAGCWFKONVIX-UONOGXRCSA-N 2 0 333.436 1.358 20 0 EDADRP CC[NH+](CC)[C@H](CN1C(=O)N[C@H](Cc2c[nH]cn2)C1=O)c1ccco1 ZINC000359022235 445893142 /nfs/dbraw/zinc/89/31/42/445893142.db2.gz WRISMYGOXDDCAG-ZIAGYGMSSA-N 2 0 345.403 1.549 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(C(=O)NC)cc2)C1 ZINC000354085743 445894073 /nfs/dbraw/zinc/89/40/73/445894073.db2.gz YHQFONPDXXJWNG-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000354087360 445894349 /nfs/dbraw/zinc/89/43/49/445894349.db2.gz ZQEVVQGYQWCYCL-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000364122847 445897055 /nfs/dbraw/zinc/89/70/55/445897055.db2.gz NTHLIPMZBWDSBE-IUVQAAGXSA-N 2 0 337.508 1.852 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1)C1CC1 ZINC000364143435 445897839 /nfs/dbraw/zinc/89/78/39/445897839.db2.gz MPTBQUHFUACDQJ-RDJZCZTQSA-N 2 0 331.464 1.468 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)nn1 ZINC000582241034 325805135 /nfs/dbraw/zinc/80/51/35/325805135.db2.gz YMJBQMMFYHXHNZ-HNNXBMFYSA-N 2 0 330.436 1.227 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCCC[C@H]1C ZINC000356644515 445909490 /nfs/dbraw/zinc/90/94/90/445909490.db2.gz AMNOBLUNMICBQI-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365952863 445924750 /nfs/dbraw/zinc/92/47/50/445924750.db2.gz USJXGQCUQRLIRD-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP COCc1cccc(CNC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350948773 445956272 /nfs/dbraw/zinc/95/62/72/445956272.db2.gz ITENYPYPCHDCNA-UHFFFAOYSA-N 2 0 333.476 1.723 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@]2(F)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000364864297 445963129 /nfs/dbraw/zinc/96/31/29/445963129.db2.gz GNDOTXDJJRESPE-IEBWSBKVSA-N 2 0 348.466 1.183 20 0 EDADRP C[NH+](C)CC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000356747913 445984244 /nfs/dbraw/zinc/98/42/44/445984244.db2.gz XLRRLKWBFUTYOZ-GOSISDBHSA-N 2 0 345.487 1.593 20 0 EDADRP C[C@@H](CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000369212208 445996329 /nfs/dbraw/zinc/99/63/29/445996329.db2.gz PLCZISUVUSCHNW-OXJNMPFZSA-N 2 0 344.503 1.142 20 0 EDADRP CC(=O)N1CCN(CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000359103319 445948334 /nfs/dbraw/zinc/94/83/34/445948334.db2.gz HLUYNICRDVDZLA-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP [NH3+][C@H]1CCC[C@]12CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000365097458 446022094 /nfs/dbraw/zinc/02/20/94/446022094.db2.gz ZBYCCEWRDHAERQ-FUHWJXTLSA-N 2 0 335.492 1.751 20 0 EDADRP C[N@H+](CCO[C@@H]1CCCCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373119436 446042569 /nfs/dbraw/zinc/04/25/69/446042569.db2.gz YQDRUCYJSGNWDF-ZWKOTPCHSA-N 2 0 325.497 1.630 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000356814447 446044968 /nfs/dbraw/zinc/04/49/68/446044968.db2.gz AQYMRTMGUPXQOT-OAHLLOKOSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]C1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000583430201 326070682 /nfs/dbraw/zinc/07/06/82/326070682.db2.gz YIQMBFUDDOFLHO-UHFFFAOYSA-N 2 0 346.475 1.794 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000583489140 326081761 /nfs/dbraw/zinc/08/17/61/326081761.db2.gz VJLKEOUKSWQKGE-KRWDZBQOSA-N 2 0 346.475 1.837 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]2CCCCN12 ZINC000583493900 326083149 /nfs/dbraw/zinc/08/31/49/326083149.db2.gz KQEQQQJUWCBCKK-CNVJLJKISA-N 2 0 341.455 1.985 20 0 EDADRP C[N@H+](CCCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000583549356 326092582 /nfs/dbraw/zinc/09/25/82/326092582.db2.gz BRAVEAGBINEBEU-FQEVSTJZSA-N 2 0 345.487 1.614 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CC1 ZINC000583734493 326127712 /nfs/dbraw/zinc/12/77/12/326127712.db2.gz QJRQKVFWPLUCCN-YTQUADARSA-N 2 0 347.503 1.430 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000584042313 326187817 /nfs/dbraw/zinc/18/78/17/326187817.db2.gz VTLUTGNJYBUUBX-MSOLQXFVSA-N 2 0 330.476 1.826 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000584162511 326211772 /nfs/dbraw/zinc/21/17/72/326211772.db2.gz WHGQFKWIWIYSNY-WMZOPIPTSA-N 2 0 338.496 1.415 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354351893 446134806 /nfs/dbraw/zinc/13/48/06/446134806.db2.gz NJIXCZKGYYWHHO-UHFFFAOYSA-N 2 0 332.423 1.805 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)C2=O)c1 ZINC000351498391 446103511 /nfs/dbraw/zinc/10/35/11/446103511.db2.gz VPUWSUJRBQMOOB-BIMQEMHKSA-N 2 0 345.443 1.478 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000359267276 446103834 /nfs/dbraw/zinc/10/38/34/446103834.db2.gz VCOBWGAQZFUOEZ-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000366347498 446166654 /nfs/dbraw/zinc/16/66/54/446166654.db2.gz OQINQACZFGKOOW-FGTMMUONSA-N 2 0 331.460 1.174 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000359375677 446182231 /nfs/dbraw/zinc/18/22/31/446182231.db2.gz POZKOJQTCIVMKU-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)C[NH+]1CCCC1 ZINC000369659518 446142045 /nfs/dbraw/zinc/14/20/45/446142045.db2.gz UNYAQKOLJBNMTJ-XDNAFOTISA-N 2 0 334.508 1.844 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369669190 446145201 /nfs/dbraw/zinc/14/52/01/446145201.db2.gz XVVGWXBBVVOJPT-OWSLCNJRSA-N 2 0 334.508 1.987 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[NH2+]CC3CC3)[C@@H](C)C2)s1 ZINC000366319541 446148093 /nfs/dbraw/zinc/14/80/93/446148093.db2.gz CDXRJCZSCNEMNU-LRDDRELGSA-N 2 0 336.505 1.778 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366329873 446155294 /nfs/dbraw/zinc/15/52/94/446155294.db2.gz ZKAPHPSQSIVJMN-MAUKXSAKSA-N 2 0 338.540 1.672 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365426825 446202870 /nfs/dbraw/zinc/20/28/70/446202870.db2.gz LMICBGUIHNVLEC-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC(C3CC3)CC2)C1 ZINC000366426847 446209869 /nfs/dbraw/zinc/20/98/69/446209869.db2.gz HIDAZOHYQMNXPN-SFHVURJKSA-N 2 0 337.508 1.581 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000370290360 446216096 /nfs/dbraw/zinc/21/60/96/446216096.db2.gz NILRAMAKRQXKKW-UHFFFAOYSA-N 2 0 347.378 1.653 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000362159606 446241320 /nfs/dbraw/zinc/24/13/20/446241320.db2.gz VYZBEFFOFUYQJQ-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000366554384 446260246 /nfs/dbraw/zinc/26/02/46/446260246.db2.gz JYIJEDJXHMJHDE-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000370407757 446264413 /nfs/dbraw/zinc/26/44/13/446264413.db2.gz RVMUOAASHZKSOJ-QGZVFWFLSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)CCN(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CCCC1 ZINC000362236130 446278634 /nfs/dbraw/zinc/27/86/34/446278634.db2.gz IXTJLPXTZSKYSO-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C[C@@H]1CCSC1 ZINC000366749004 446333154 /nfs/dbraw/zinc/33/31/54/446333154.db2.gz YMTKMJWWSMXOAC-HNNXBMFYSA-N 2 0 337.537 1.713 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000373861055 446338442 /nfs/dbraw/zinc/33/84/42/446338442.db2.gz XAIPTFOWLVYMFO-AJYBTWMASA-N 2 0 348.535 1.393 20 0 EDADRP CCOC(=O)CCCNC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374075220 446351142 /nfs/dbraw/zinc/35/11/42/446351142.db2.gz QYYURHDBMMQATE-UHFFFAOYSA-N 2 0 339.480 1.254 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000417573073 446365466 /nfs/dbraw/zinc/36/54/66/446365466.db2.gz WJLMTKFGXFTCMF-HOTGVXAUSA-N 2 0 326.485 1.304 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417667781 446369043 /nfs/dbraw/zinc/36/90/43/446369043.db2.gz IZMPMUGHHZVHGU-QYZOEREBSA-N 2 0 342.487 1.902 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)C1CC1 ZINC000365875799 446383405 /nfs/dbraw/zinc/38/34/05/446383405.db2.gz IHSFCTAGHBMLJB-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000417916461 446384783 /nfs/dbraw/zinc/38/47/83/446384783.db2.gz VDADIPSZHWSNCS-QMCVQRASSA-N 2 0 338.496 1.181 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@H](C[NH3+])C1 ZINC000417915262 446384983 /nfs/dbraw/zinc/38/49/83/446384983.db2.gz UEBOTNMUHXIHHB-IXDOHACOSA-N 2 0 340.512 1.502 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000370779948 446437265 /nfs/dbraw/zinc/43/72/65/446437265.db2.gz MMMOJTAMJVTIOI-JENIJYKNSA-N 2 0 339.524 1.877 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431847317 446438602 /nfs/dbraw/zinc/43/86/02/446438602.db2.gz VQJOQBQOFACLQR-HKUYNNGSSA-N 2 0 345.487 1.860 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418109795 446439881 /nfs/dbraw/zinc/43/98/81/446439881.db2.gz DDJYCUMOZDBMPA-HOTGVXAUSA-N 2 0 328.501 1.502 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420282679 446449713 /nfs/dbraw/zinc/44/97/13/446449713.db2.gz AZZSHUXDLSGVRT-XEZPLFJOSA-N 2 0 333.432 1.147 20 0 EDADRP COC(=O)C(C)(C)CC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374809470 446402076 /nfs/dbraw/zinc/40/20/76/446402076.db2.gz IJHNMTKAAFTJRD-MRXNPFEDSA-N 2 0 325.497 1.676 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNc1ccnc(N2CCOCC2)n1 ZINC000420284621 446451511 /nfs/dbraw/zinc/45/15/11/446451511.db2.gz URNZQCLQHCFLCM-INIZCTEOSA-N 2 0 327.432 1.988 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006675 446413788 /nfs/dbraw/zinc/41/37/88/446413788.db2.gz MOPBJNXEXNCDDP-LZLYRXPVSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC[N@@H+]1C ZINC000418012358 446415727 /nfs/dbraw/zinc/41/57/27/446415727.db2.gz XWJCBGKWLKSEOJ-XLNGHYISSA-N 2 0 338.496 1.397 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418020160 446417742 /nfs/dbraw/zinc/41/77/42/446417742.db2.gz ZICJNJJMYKWWJI-RYQLBKOJSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423202453 446452016 /nfs/dbraw/zinc/45/20/16/446452016.db2.gz KTQKEBACHIXXDI-CQSZACIVSA-N 2 0 331.464 1.526 20 0 EDADRP COC[C@@]1(CNC(=O)NCc2ccc(CC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000418054565 446426222 /nfs/dbraw/zinc/42/62/22/446426222.db2.gz GWOSWJZPAPOAGO-IBGZPJMESA-N 2 0 348.491 1.359 20 0 EDADRP C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000418192063 446455437 /nfs/dbraw/zinc/45/54/37/446455437.db2.gz YFHNXTYSVWDAPL-FPMFFAJLSA-N 2 0 328.407 1.960 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418191889 446455550 /nfs/dbraw/zinc/45/55/50/446455550.db2.gz LOBYKHKFFSXOIU-INIZCTEOSA-N 2 0 349.479 1.435 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000376409544 446480964 /nfs/dbraw/zinc/48/09/64/446480964.db2.gz AGMXSVQDRVUSNP-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418211226 446460134 /nfs/dbraw/zinc/46/01/34/446460134.db2.gz KRSPAQOEYJCCPJ-SJLPKXTDSA-N 2 0 346.475 1.411 20 0 EDADRP [NH3+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000418226842 446464965 /nfs/dbraw/zinc/46/49/65/446464965.db2.gz PVBZVPQNBURTNE-QGZVFWFLSA-N 2 0 346.475 1.173 20 0 EDADRP CC(C)C[C@@H](C[NH3+])N[C@@H](C)Cn1cc(Br)ccc1=O ZINC000423271536 446470622 /nfs/dbraw/zinc/47/06/22/446470622.db2.gz XXSSFCZLLPJOST-AAEUAGOBSA-N 2 0 330.270 1.962 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277157 446471584 /nfs/dbraw/zinc/47/15/84/446471584.db2.gz NSMLZEDOWQXFLY-JQFCIGGWSA-N 2 0 337.489 1.819 20 0 EDADRP O[C@H](COc1ccccc1)CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420312647 446475285 /nfs/dbraw/zinc/47/52/85/446475285.db2.gz IFMGCUSWBGGAJF-OALUTQOASA-N 2 0 347.503 1.434 20 0 EDADRP CC(C)[NH+](CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C(C)C ZINC000423296906 446476489 /nfs/dbraw/zinc/47/64/89/446476489.db2.gz HYMNJYHYCFYIJP-OAHLLOKOSA-N 2 0 335.496 1.736 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000432509863 446476754 /nfs/dbraw/zinc/47/67/54/446476754.db2.gz OQFWSBCQUASVHZ-YJBOKZPZSA-N 2 0 330.476 1.556 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[N@@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)no1 ZINC000376406151 446479502 /nfs/dbraw/zinc/47/95/02/446479502.db2.gz CMUOVDYQJSARNN-CALCHBBNSA-N 2 0 347.507 1.872 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCCC2)cc1 ZINC000423302301 446480176 /nfs/dbraw/zinc/48/01/76/446480176.db2.gz VJWOCYTVQLVWCR-SUMDDJOVSA-N 2 0 329.444 1.700 20 0 EDADRP C[C@H](C(=O)N(C)c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420319865 446485754 /nfs/dbraw/zinc/48/57/54/446485754.db2.gz AREDOQGLKQYXMR-OLMNPRSZSA-N 2 0 331.460 1.866 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000423319192 446485873 /nfs/dbraw/zinc/48/58/73/446485873.db2.gz DCKRREWGDUQRSV-OAGGEKHMSA-N 2 0 347.507 1.880 20 0 EDADRP CC1CCC(NC(=O)CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420325482 446492055 /nfs/dbraw/zinc/49/20/55/446492055.db2.gz WQAIRNHLJSHVGG-ADKAHSJRSA-N 2 0 336.524 1.299 20 0 EDADRP COCC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)CC1 ZINC000423336598 446492348 /nfs/dbraw/zinc/49/23/48/446492348.db2.gz QNHFNHBRDSXMDX-UXHICEINSA-N 2 0 347.503 1.841 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccc3c(c2)OCO3)CC12CCOCC2 ZINC000420326301 446492373 /nfs/dbraw/zinc/49/23/73/446492373.db2.gz JSJKKPUGTOSUST-OAHLLOKOSA-N 2 0 348.443 1.872 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC[NH2+]C1 ZINC000423367817 446502746 /nfs/dbraw/zinc/50/27/46/446502746.db2.gz YXACDQXKYMCEKY-IEBWSBKVSA-N 2 0 337.508 1.583 20 0 EDADRP CCc1ccnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000374997332 446503158 /nfs/dbraw/zinc/50/31/58/446503158.db2.gz JWCKUKWJKVUKDN-KRWDZBQOSA-N 2 0 330.476 1.885 20 0 EDADRP CC(C)(C(=O)NCCN1CCOCC1(C)C)[C@H]([NH3+])c1ccccc1 ZINC000423374319 446507452 /nfs/dbraw/zinc/50/74/52/446507452.db2.gz JTJCQOLETXBNEY-MRXNPFEDSA-N 2 0 333.476 1.940 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000423376245 446508929 /nfs/dbraw/zinc/50/89/29/446508929.db2.gz KZHDPFKMCSLIKJ-OAHLLOKOSA-N 2 0 344.459 1.087 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H](C)[NH3+] ZINC000423381186 446510630 /nfs/dbraw/zinc/51/06/30/446510630.db2.gz OEOSJVXXZOZFQT-HNAYVOBHSA-N 2 0 347.503 1.879 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000420328902 446496617 /nfs/dbraw/zinc/49/66/17/446496617.db2.gz NKICXWONVKQDSY-BZSNNMDCSA-N 2 0 343.471 1.428 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423354783 446498195 /nfs/dbraw/zinc/49/81/95/446498195.db2.gz GXLLJYPNWAYNJI-XLMAVXFVSA-N 2 0 339.524 1.954 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423358997 446500202 /nfs/dbraw/zinc/50/02/02/446500202.db2.gz CORVJNCABMVKCX-OAHLLOKOSA-N 2 0 344.459 1.451 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC1C[NH2+]C1 ZINC000418489339 446563838 /nfs/dbraw/zinc/56/38/38/446563838.db2.gz OCSFSXACPBMNAA-QGZVFWFLSA-N 2 0 330.476 1.759 20 0 EDADRP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344045 446517271 /nfs/dbraw/zinc/51/72/71/446517271.db2.gz RUWVWVASAFOYBT-HOTGVXAUSA-N 2 0 344.459 1.905 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000367194399 446520396 /nfs/dbraw/zinc/52/03/96/446520396.db2.gz ZCDCKZMUCPPPGT-ROUUACIJSA-N 2 0 331.460 1.473 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346883 446520763 /nfs/dbraw/zinc/52/07/63/446520763.db2.gz ZHXWPLBBADOOTB-JKSUJKDBSA-N 2 0 341.455 1.994 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420346674 446521353 /nfs/dbraw/zinc/52/13/53/446521353.db2.gz XDRQIOWRESIGTD-GASCZTMLSA-N 2 0 330.432 1.515 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346758 446521905 /nfs/dbraw/zinc/52/19/05/446521905.db2.gz DNIZRZYNXDNHSS-MAUKXSAKSA-N 2 0 348.466 1.152 20 0 EDADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1 ZINC000420348085 446522830 /nfs/dbraw/zinc/52/28/30/446522830.db2.gz JMKYYEWQWQXGEF-INIZCTEOSA-N 2 0 336.867 1.648 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423426211 446531075 /nfs/dbraw/zinc/53/10/75/446531075.db2.gz HLKAKFMVNJBZHM-SJORKVTESA-N 2 0 347.459 1.247 20 0 EDADRP COC(=O)[C@H](C)C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000420355291 446535619 /nfs/dbraw/zinc/53/56/19/446535619.db2.gz FEQHXXACYCAYLK-MRXNPFEDSA-N 2 0 347.459 1.120 20 0 EDADRP CC(C)c1nc2n(n1)CCC[C@H]2NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433137593 446535639 /nfs/dbraw/zinc/53/56/39/446535639.db2.gz PBLRWTRGTWKSHS-OAHLLOKOSA-N 2 0 348.495 1.556 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000418608950 446614695 /nfs/dbraw/zinc/61/46/95/446614695.db2.gz ZNOCORIYOUCDQT-MRXNPFEDSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCC2)CCCO1 ZINC000433403333 446570238 /nfs/dbraw/zinc/57/02/38/446570238.db2.gz NUTVMKLSLJSTHF-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453632122 446575995 /nfs/dbraw/zinc/57/59/95/446575995.db2.gz DUZGMLZHIJECCO-SUMWQHHRSA-N 2 0 346.475 1.630 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000420403975 446576069 /nfs/dbraw/zinc/57/60/69/446576069.db2.gz LVNDHCMRXXHKOB-STQMWFEESA-N 2 0 339.867 1.691 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000367766920 446588416 /nfs/dbraw/zinc/58/84/16/446588416.db2.gz GVTUQADNBIWSCI-DOTOQJQBSA-N 2 0 344.459 1.239 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420427858 446602943 /nfs/dbraw/zinc/60/29/43/446602943.db2.gz XCDMURNUFCZASW-IYBDPMFKSA-N 2 0 337.489 1.368 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418627698 446620051 /nfs/dbraw/zinc/62/00/51/446620051.db2.gz BHOFRYPFUQWCEX-SFHVURJKSA-N 2 0 330.476 1.857 20 0 EDADRP [NH3+]CCCn1cc(C(=O)N2CC[NH2+]C[C@H]2c2cccc(Cl)c2)nn1 ZINC000423618861 446609442 /nfs/dbraw/zinc/60/94/42/446609442.db2.gz ZDNSRNHLKMAZQQ-HNNXBMFYSA-N 2 0 348.838 1.067 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418689616 446648580 /nfs/dbraw/zinc/64/85/80/446648580.db2.gz VPXDMQAPYXBJPO-OBVSXPTNSA-N 2 0 328.460 1.429 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418691267 446649971 /nfs/dbraw/zinc/64/99/71/446649971.db2.gz YASUZAWGSCMSHB-BPQIPLTHSA-N 2 0 330.476 1.868 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418696916 446651876 /nfs/dbraw/zinc/65/18/76/446651876.db2.gz LBYRFMGNPKOKNE-UOVPBQLFSA-N 2 0 330.476 1.886 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccccc1 ZINC000375225434 446654031 /nfs/dbraw/zinc/65/40/31/446654031.db2.gz CQUXEHNTXTXSTE-ZWKOTPCHSA-N 2 0 328.460 1.921 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000375227153 446655470 /nfs/dbraw/zinc/65/54/70/446655470.db2.gz KTNYBNZEUOFJJB-SFHVURJKSA-N 2 0 342.487 1.998 20 0 EDADRP O[C@@H](COC1CCOCC1)CN1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371205245 446688173 /nfs/dbraw/zinc/68/81/73/446688173.db2.gz PVCSZHNJQOIDHL-QZTJIDSGSA-N 2 0 340.508 1.741 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000418781774 446700656 /nfs/dbraw/zinc/70/06/56/446700656.db2.gz ZOAXWTLEBMXNAS-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP COC(=O)c1cccc(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000423875370 446736390 /nfs/dbraw/zinc/73/63/90/446736390.db2.gz MSPVBULYMPSDTP-UHFFFAOYSA-N 2 0 347.459 1.335 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418847816 446749750 /nfs/dbraw/zinc/74/97/50/446749750.db2.gz WITBAOMUTJIGNS-DZGCQCFKSA-N 2 0 338.496 1.094 20 0 EDADRP CCCN1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C(C)(C)C1=O ZINC000423899830 446750380 /nfs/dbraw/zinc/75/03/80/446750380.db2.gz ZTVMQFJXBSCRNS-UHFFFAOYSA-N 2 0 338.496 1.049 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000423914459 446763901 /nfs/dbraw/zinc/76/39/01/446763901.db2.gz XXEWJPJOOIYHES-SQWLQELKSA-N 2 0 331.464 1.433 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437844327 446765605 /nfs/dbraw/zinc/76/56/05/446765605.db2.gz IBZYFSYDAPBGIK-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375476687 446830907 /nfs/dbraw/zinc/83/09/07/446830907.db2.gz SMSWQBKGNURFJP-LMMKCTJWSA-N 2 0 334.460 1.973 20 0 EDADRP Cc1nnc(N2CCC([NH2+]C[C@@H](C)N3CC[NH+](C)CC3)CC2)s1 ZINC000368430516 446858140 /nfs/dbraw/zinc/85/81/40/446858140.db2.gz WWQKPPOAOMJRKI-CYBMUJFWSA-N 2 0 338.525 1.041 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000368454861 446872562 /nfs/dbraw/zinc/87/25/62/446872562.db2.gz MHTURTNXURFEIC-SFHVURJKSA-N 2 0 333.476 1.734 20 0 EDADRP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)CC2 ZINC000371520116 446910935 /nfs/dbraw/zinc/91/09/35/446910935.db2.gz QEXNNEDOYGYTBS-KRWDZBQOSA-N 2 0 335.492 1.717 20 0 EDADRP CSCCC[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000377118160 446931724 /nfs/dbraw/zinc/93/17/24/446931724.db2.gz ZHXYFQMPHWBYKJ-HNNXBMFYSA-N 2 0 331.526 1.144 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H](C[NH3+])C[C@@H]1C)CC(C)C ZINC000419124333 446938089 /nfs/dbraw/zinc/93/80/89/446938089.db2.gz HYNFKMOLJAHDBT-JYJNAYRXSA-N 2 0 340.512 1.055 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368704245 447053673 /nfs/dbraw/zinc/05/36/73/447053673.db2.gz OMWKVAKVIOCBBU-INIZCTEOSA-N 2 0 325.416 1.341 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000368795426 447112621 /nfs/dbraw/zinc/11/26/21/447112621.db2.gz GBLUTKJQLDEHNP-KBAYOESNSA-N 2 0 331.460 1.344 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444170029 447085823 /nfs/dbraw/zinc/08/58/23/447085823.db2.gz SVAOEKSGDXTYGJ-MJGOQNOKSA-N 2 0 331.435 1.906 20 0 EDADRP COCCCC[N@H+](C)CC(=O)N1CCN(Cc2cccs2)CC1 ZINC000419398397 447151008 /nfs/dbraw/zinc/15/10/08/447151008.db2.gz ZRJIPIKXUAMFSW-UHFFFAOYSA-N 2 0 339.505 1.751 20 0 EDADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000425527790 447213030 /nfs/dbraw/zinc/21/30/30/447213030.db2.gz NYOQYKTVFLDPGS-SCDLFQHWSA-N 2 0 336.520 1.951 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419444111 447179987 /nfs/dbraw/zinc/17/99/87/447179987.db2.gz SQEIBTBOVSWDDD-HRCADAONSA-N 2 0 328.501 1.059 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000419482143 447213552 /nfs/dbraw/zinc/21/35/52/447213552.db2.gz PVVHIMUSAZEFCI-HNNXBMFYSA-N 2 0 340.512 1.248 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648567 447252153 /nfs/dbraw/zinc/25/21/53/447252153.db2.gz VBJSWYKCOMAZFD-GBESFXJTSA-N 2 0 344.503 1.895 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000419527065 447242343 /nfs/dbraw/zinc/24/23/43/447242343.db2.gz UUVOFCVLBQQFNB-DLBZAZTESA-N 2 0 340.512 1.349 20 0 EDADRP CCC[C@@H](C(=O)Nc1ccc2c(c1)CN(CC(N)=O)CC2)[NH+](C)C ZINC000447677363 447286355 /nfs/dbraw/zinc/28/63/55/447286355.db2.gz FUJAKPYJZYKLLV-INIZCTEOSA-N 2 0 332.448 1.199 20 0 EDADRP COc1ccccc1CNC(=[NH2+])NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369020827 447267846 /nfs/dbraw/zinc/26/78/46/447267846.db2.gz CNTPAGARBFUJQM-DOTOQJQBSA-N 2 0 346.475 1.810 20 0 EDADRP COC[C@@]1(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000379673180 447453785 /nfs/dbraw/zinc/45/37/85/447453785.db2.gz PJEUWVKZFORGNZ-VQIMIIECSA-N 2 0 333.476 1.639 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000458731047 447465657 /nfs/dbraw/zinc/46/56/57/447465657.db2.gz SCFJQGBYIAMIMZ-IAGOWNOFSA-N 2 0 340.512 1.611 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458809456 447480369 /nfs/dbraw/zinc/48/03/69/447480369.db2.gz NBYXBJZQZNVMFQ-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP C[NH+](C)CC1(C(=O)NCCN2CCC([NH+](C)C)CC2)CCCCC1 ZINC000426711916 447494186 /nfs/dbraw/zinc/49/41/86/447494186.db2.gz SUBQAIUEPYLHEE-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP [NH3+][C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000415538472 447503779 /nfs/dbraw/zinc/50/37/79/447503779.db2.gz RTUORPFLLMOARQ-QGZVFWFLSA-N 2 0 344.459 1.117 20 0 EDADRP CC(C)[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[NH+]1CCN(C)CC1 ZINC000392336437 447522623 /nfs/dbraw/zinc/52/26/23/447522623.db2.gz WRFAKPRRIMLVLD-QGZVFWFLSA-N 2 0 338.540 1.674 20 0 EDADRP CCN1CCOC[C@H]1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000427253971 447568974 /nfs/dbraw/zinc/56/89/74/447568974.db2.gz UZPRJYSKMVNNCK-LBPRGKRZSA-N 2 0 325.375 1.098 20 0 EDADRP Cc1ncc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000459244761 447620988 /nfs/dbraw/zinc/62/09/88/447620988.db2.gz MQRXFOIIYKIYJD-UHFFFAOYSA-N 2 0 325.457 1.398 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000459285686 447628756 /nfs/dbraw/zinc/62/87/56/447628756.db2.gz FFIRNTLIEVYVEY-KRWDZBQOSA-N 2 0 341.544 1.243 20 0 EDADRP Cc1nc(C(C)C)oc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000428379268 447693460 /nfs/dbraw/zinc/69/34/60/447693460.db2.gz VZEQMYXCQUIXPU-UHFFFAOYSA-N 2 0 336.480 1.996 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416861971 447697735 /nfs/dbraw/zinc/69/77/35/447697735.db2.gz FOUPYKXSEDFIQV-HOTGVXAUSA-N 2 0 326.485 1.032 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000420216015 447674270 /nfs/dbraw/zinc/67/42/70/447674270.db2.gz WPXKWVYTPVUXNL-HZPDHXFCSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000457932418 447677072 /nfs/dbraw/zinc/67/70/72/447677072.db2.gz MASHMLLAJAIRSU-BRWVUGGUSA-N 2 0 340.512 1.253 20 0 EDADRP Cn1c2ccccc2nc1NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000420237534 447682896 /nfs/dbraw/zinc/68/28/96/447682896.db2.gz FYXMYFJEWDFRKM-ZDUSSCGKSA-N 2 0 327.354 1.821 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@H](C[NH3+])C1 ZINC000416810995 447689612 /nfs/dbraw/zinc/68/96/12/447689612.db2.gz CEHKKRQLCRWFQD-LSDHHAIUSA-N 2 0 326.485 1.399 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416946499 447720936 /nfs/dbraw/zinc/72/09/36/447720936.db2.gz OKXIARPQORILGJ-OWCLPIDISA-N 2 0 328.501 1.501 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422714773 447725605 /nfs/dbraw/zinc/72/56/05/447725605.db2.gz LLENYQXEUATVBK-VQTJNVASSA-N 2 0 347.503 1.874 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCCc1nccn1Cc1ccccc1 ZINC000416957387 447726013 /nfs/dbraw/zinc/72/60/13/447726013.db2.gz NXJFPQKTGNOWSP-INIZCTEOSA-N 2 0 329.448 1.756 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000422738879 447734358 /nfs/dbraw/zinc/73/43/58/447734358.db2.gz KGORIFYOAPJUSN-CGTJXYLNSA-N 2 0 332.492 1.122 20 0 EDADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422765234 447744635 /nfs/dbraw/zinc/74/46/35/447744635.db2.gz QQRCDQOJGQJRRM-OKZBNKHCSA-N 2 0 334.460 1.993 20 0 EDADRP c1cc(N2CCOCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422804227 447755087 /nfs/dbraw/zinc/75/50/87/447755087.db2.gz DYGBEVXQWMJHCA-FGTMMUONSA-N 2 0 330.476 1.929 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])c(N2CCOCC2)c1 ZINC000422849281 447768911 /nfs/dbraw/zinc/76/89/11/447768911.db2.gz BTPSFLPDXXSXBQ-RYQLBKOJSA-N 2 0 333.476 1.674 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH2+]CC1)COc1ccccc1Br ZINC000422941460 447776855 /nfs/dbraw/zinc/77/68/55/447776855.db2.gz OOUUENZBEZLILZ-GFCCVEGCSA-N 2 0 329.238 1.530 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430562312 447779688 /nfs/dbraw/zinc/77/96/88/447779688.db2.gz QOSCXMPDVXZJLC-JKSUJKDBSA-N 2 0 325.497 1.996 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]([NH3+])C1 ZINC000430593895 447782377 /nfs/dbraw/zinc/78/23/77/447782377.db2.gz PTPDKPDDWWRWEB-NVXWUHKLSA-N 2 0 330.476 1.189 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422986462 447787499 /nfs/dbraw/zinc/78/74/99/447787499.db2.gz GXCVAIPUUUXWPH-SJORKVTESA-N 2 0 332.448 1.181 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431023651 447789935 /nfs/dbraw/zinc/78/99/35/447789935.db2.gz MOOKYMJBDCKUBJ-FGTMMUONSA-N 2 0 338.540 1.674 20 0 EDADRP C[C@H](N[C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCC[NH2+]1 ZINC000423034135 447795636 /nfs/dbraw/zinc/79/56/36/447795636.db2.gz XIIHQWSWIALNTF-SZMVWBNQSA-N 2 0 332.492 1.006 20 0 EDADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423086103 447802081 /nfs/dbraw/zinc/80/20/81/447802081.db2.gz MJSUSWYGDMLMJO-YZGWKJHDSA-N 2 0 329.488 1.865 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423114624 447808529 /nfs/dbraw/zinc/80/85/29/447808529.db2.gz ZSUJYEVEJHYDPX-NXEZZACHSA-N 2 0 337.848 1.473 20 0 EDADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000523004686 447868181 /nfs/dbraw/zinc/86/81/81/447868181.db2.gz QOTBBXGFZROMFI-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCCO1 ZINC000569771673 447884860 /nfs/dbraw/zinc/88/48/60/447884860.db2.gz WEUUGCRHMKWACJ-HNNXBMFYSA-N 2 0 347.438 1.997 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000569823135 447901031 /nfs/dbraw/zinc/90/10/31/447901031.db2.gz GHAICXAEUVLJMY-SFHVURJKSA-N 2 0 345.487 1.472 20 0 EDADRP CC(C)[C@@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1C ZINC000497159340 447906207 /nfs/dbraw/zinc/90/62/07/447906207.db2.gz JANAGPJQJODBFP-WMZOPIPTSA-N 2 0 336.480 1.133 20 0 EDADRP CN(C[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000497201271 447952568 /nfs/dbraw/zinc/95/25/68/447952568.db2.gz GOSMKWOLVQIADD-PMPSAXMXSA-N 2 0 341.496 1.630 20 0 EDADRP C[C@H]1C[NH+](C)CCN1Cc1cncc(CN2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000569917597 447915844 /nfs/dbraw/zinc/91/58/44/447915844.db2.gz KHYORXSKSGLUHJ-IRXDYDNUSA-N 2 0 331.508 1.353 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCN2CCCO)C1 ZINC000497186899 447937426 /nfs/dbraw/zinc/93/74/26/447937426.db2.gz MCENTRHQUDXKNA-GJZGRUSLSA-N 2 0 327.469 1.432 20 0 EDADRP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O)C[NH+]1CCC2CC1 ZINC000496885716 448001626 /nfs/dbraw/zinc/00/16/26/448001626.db2.gz RRSMAAZDOVKKPD-DODZYUBVSA-N 2 0 349.475 1.486 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NCCOc1cccc(F)c1)CC[NH2+]CC2 ZINC000576100071 447970799 /nfs/dbraw/zinc/97/07/99/447970799.db2.gz WMWHNRKXYIOUPT-OAHLLOKOSA-N 2 0 349.450 1.785 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000525173062 447972819 /nfs/dbraw/zinc/97/28/19/447972819.db2.gz YUWFSYJBFPRFLP-QZTJIDSGSA-N 2 0 325.497 1.282 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)CC1 ZINC000531190327 448037321 /nfs/dbraw/zinc/03/73/21/448037321.db2.gz JJIUUXGJBXJPRW-UHFFFAOYSA-N 2 0 348.495 1.034 20 0 EDADRP C[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000497289635 448044134 /nfs/dbraw/zinc/04/41/34/448044134.db2.gz OPQSLABNMYYWBH-YJBOKZPZSA-N 2 0 343.512 1.974 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000576568059 448085187 /nfs/dbraw/zinc/08/51/87/448085187.db2.gz NNSQAMAEMBLORD-SFHVURJKSA-N 2 0 344.503 1.992 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC1CC2 ZINC000526067462 448093020 /nfs/dbraw/zinc/09/30/20/448093020.db2.gz MSUCOAOAFRGPDW-QGZVFWFLSA-N 2 0 328.460 1.600 20 0 EDADRP CC[C@H]1CN(C[C@H](O)C[N@H+](C)CCOC)CC[NH+]1Cc1ccccc1 ZINC000571460374 448157399 /nfs/dbraw/zinc/15/73/99/448157399.db2.gz RFZFCSXUHGDCKK-VQTJNVASSA-N 2 0 349.519 1.522 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000526970510 448127317 /nfs/dbraw/zinc/12/73/17/448127317.db2.gz BCBLPPPSTGJVSU-INIZCTEOSA-N 2 0 325.497 1.676 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000526987113 448133110 /nfs/dbraw/zinc/13/31/10/448133110.db2.gz FTLTUKHOPMWYSY-HKUYNNGSSA-N 2 0 349.498 1.797 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000582555920 448274350 /nfs/dbraw/zinc/27/43/50/448274350.db2.gz RWYBSXFKHWNJGV-IRXDYDNUSA-N 2 0 337.533 1.757 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(-c3cccnc3)c2)CC1 ZINC000577485884 448310260 /nfs/dbraw/zinc/31/02/60/448310260.db2.gz LIIGPTUYMNTWIQ-FQEVSTJZSA-N 2 0 340.471 1.447 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)COc2ccccc2)CC1 ZINC000577385922 448283443 /nfs/dbraw/zinc/28/34/43/448283443.db2.gz JAXUAAWRGNIPQQ-QZTJIDSGSA-N 2 0 335.492 1.290 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000582661150 448304112 /nfs/dbraw/zinc/30/41/12/448304112.db2.gz QZECWQBVIDLJNF-ZTFGCOKTSA-N 2 0 339.430 1.409 20 0 EDADRP C[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000577636104 448348669 /nfs/dbraw/zinc/34/86/69/448348669.db2.gz IJPRRLOTJOTLAT-SFHVURJKSA-N 3 0 330.476 1.238 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000582774643 448335410 /nfs/dbraw/zinc/33/54/10/448335410.db2.gz VQEWYKPKNDZWLC-KRWDZBQOSA-N 2 0 334.439 1.841 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000566209474 448416137 /nfs/dbraw/zinc/41/61/37/448416137.db2.gz WZXVDZRZWALBAG-BHIYHBOVSA-N 2 0 343.471 1.618 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000572612002 448423354 /nfs/dbraw/zinc/42/33/54/448423354.db2.gz FYVIKZDSAOEBCV-INIZCTEOSA-N 2 0 332.492 1.191 20 0 EDADRP CSc1ccc(OC[C@@H](O)C[NH2+]CCCN2CCOCC2)cc1 ZINC000516631440 448451841 /nfs/dbraw/zinc/45/18/41/448451841.db2.gz MSFFCVGWPWKNDR-HNNXBMFYSA-N 2 0 340.489 1.460 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000516653808 448457840 /nfs/dbraw/zinc/45/78/40/448457840.db2.gz WPFREIDWHHXPFZ-VQIMIIECSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000566436632 448468921 /nfs/dbraw/zinc/46/89/21/448468921.db2.gz NKJDBLAJWBJWRU-INIZCTEOSA-N 2 0 333.476 1.628 20 0 EDADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759458 448483394 /nfs/dbraw/zinc/48/33/94/448483394.db2.gz RFRCYZRKNCKKDG-IXDOHACOSA-N 2 0 344.459 1.462 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000584350002 448493788 /nfs/dbraw/zinc/49/37/88/448493788.db2.gz GOYOZRKBPLVKKK-CEXWTWQISA-N 2 0 339.414 1.966 20 0 EDADRP O[C@@]1(C(F)F)CC[NH+](CCCC[N@H+]2CC[C@@](O)(C(F)F)C2)C1 ZINC000578485261 448556490 /nfs/dbraw/zinc/55/64/90/448556490.db2.gz MUWRUFLDLLTZTA-KBPBESRZSA-N 2 0 328.350 1.170 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000578532997 448574032 /nfs/dbraw/zinc/57/40/32/448574032.db2.gz OEVKRNZNYZEZMN-XGUBFFRZSA-N 2 0 340.512 1.101 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584467639 448537955 /nfs/dbraw/zinc/53/79/55/448537955.db2.gz XWRQTIVQTDNVJH-HOTGVXAUSA-N 2 0 348.495 1.354 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000566687709 448540095 /nfs/dbraw/zinc/54/00/95/448540095.db2.gz OZAJVDDPHFXUEW-MRXNPFEDSA-N 2 0 328.460 1.669 20 0 EDADRP COc1ccc(OC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000573121741 448550802 /nfs/dbraw/zinc/55/08/02/448550802.db2.gz OBUVQLNNNQJORD-UHFFFAOYSA-N 2 0 347.459 1.360 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)C1 ZINC000573316978 448595785 /nfs/dbraw/zinc/59/57/85/448595785.db2.gz SJPNCRNJBYRPSA-XWSJACJDSA-N 3 0 341.540 1.558 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000518123241 448647219 /nfs/dbraw/zinc/64/72/19/448647219.db2.gz DYEOBVZSGVDKOC-ROUUACIJSA-N 2 0 330.476 1.752 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000573548983 448655077 /nfs/dbraw/zinc/65/50/77/448655077.db2.gz PTRXFYRDBPFHCC-ZHALLVOQSA-N 2 0 346.475 1.500 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000578767850 448632910 /nfs/dbraw/zinc/63/29/10/448632910.db2.gz ZWCOOPCQPRBRSK-HOTGVXAUSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1ccc(F)cc1F ZINC000541867257 448697738 /nfs/dbraw/zinc/69/77/38/448697738.db2.gz KOGIPPITSCRWJG-UHFFFAOYSA-N 2 0 349.447 1.220 20 0 EDADRP C[C@H]([NH2+][C@H]1COCC1(C)C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567456205 448698316 /nfs/dbraw/zinc/69/83/16/448698316.db2.gz ZSAQFZONYNFRCD-SZMVWBNQSA-N 2 0 345.487 1.780 20 0 EDADRP COc1cc2c(cc1F)[nH+]ccc2N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000573862958 448733037 /nfs/dbraw/zinc/73/30/37/448733037.db2.gz DTPWRYMFQMYCBH-GXFFZTMASA-N 2 0 330.363 1.131 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]([NH3+])C2CCC2)[C@H](c2ccccc2)C1 ZINC000567776628 448758365 /nfs/dbraw/zinc/75/83/65/448758365.db2.gz JNAVJDNSPZXNIG-RBUKOAKNSA-N 2 0 344.503 1.609 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000545884397 448805158 /nfs/dbraw/zinc/80/51/58/448805158.db2.gz NILGCJWLICOSMP-IBGZPJMESA-N 2 0 346.475 1.148 20 0 EDADRP C([NH2+][C@@H]1CCO[C@H]1C1CC1)C1(C[NH2+][C@H]2CCO[C@H]2C2CC2)COC1 ZINC000519577666 448789466 /nfs/dbraw/zinc/78/94/66/448789466.db2.gz JHFRREPALRMVSZ-MHORFTMASA-N 2 0 336.476 1.317 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(CCCn2ccnc2)CC1 ZINC000529377579 448849186 /nfs/dbraw/zinc/84/91/86/448849186.db2.gz QPXSFSVQIMEZTI-MRXNPFEDSA-N 2 0 335.452 1.073 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000529381837 448850801 /nfs/dbraw/zinc/85/08/01/448850801.db2.gz ROEFOTJEOBXTAO-IKGGRYGDSA-N 2 0 338.496 1.271 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687243 448851447 /nfs/dbraw/zinc/85/14/47/448851447.db2.gz KDEXQMYTYSHHCR-RTBURBONSA-N 3 0 344.503 1.616 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)nc1 ZINC000592471084 448852113 /nfs/dbraw/zinc/85/21/13/448852113.db2.gz XYWFLXZGKHZILE-NUEKZKHPSA-N 2 0 344.459 1.425 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579732593 448868424 /nfs/dbraw/zinc/86/84/24/448868424.db2.gz WXTUKRBRNURHID-MRXNPFEDSA-N 2 0 343.475 1.695 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC1([NH3+])CCC1 ZINC000592558640 448900157 /nfs/dbraw/zinc/90/01/57/448900157.db2.gz LHOLIVVTSFXLQJ-HNNXBMFYSA-N 2 0 339.480 1.524 20 0 EDADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](O)CN2CCc3ccccc3C2)C1 ZINC000574686518 448932088 /nfs/dbraw/zinc/93/20/88/448932088.db2.gz WHRWBHNVPNSFKA-CGTJXYLNSA-N 2 0 332.444 1.337 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579849513 448895403 /nfs/dbraw/zinc/89/54/03/448895403.db2.gz ZMELOQRTDLNKHO-DAWZGUTISA-N 2 0 327.513 1.122 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000589144035 448977272 /nfs/dbraw/zinc/97/72/72/448977272.db2.gz AGMKHGDMUPYMAX-MOPGFXCFSA-N 2 0 342.487 1.990 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000574881115 448979511 /nfs/dbraw/zinc/97/95/11/448979511.db2.gz PXAOLAWNENZFNL-UHFFFAOYSA-N 2 0 332.492 1.703 20 0 EDADRP CCOc1ccccc1[C@H](CC)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569214723 448980356 /nfs/dbraw/zinc/98/03/56/448980356.db2.gz AQZSRXYDGQJCMR-ZBFHGGJFSA-N 2 0 334.464 1.821 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000521432992 448985242 /nfs/dbraw/zinc/98/52/42/448985242.db2.gz QYVYFMOCRCKVNR-HNNXBMFYSA-N 2 0 346.475 1.540 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)n1 ZINC000582130819 449019668 /nfs/dbraw/zinc/01/96/68/449019668.db2.gz OUVWOYZUPOPDSF-QGZVFWFLSA-N 2 0 343.475 1.347 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)([NH+](C)C)C1 ZINC000592956491 449076177 /nfs/dbraw/zinc/07/61/77/449076177.db2.gz HEKIFGBSDVVLNL-ZRGWGRIASA-N 2 0 347.507 1.960 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000521999064 449038873 /nfs/dbraw/zinc/03/88/73/449038873.db2.gz IAGPXENRMSYQCO-PBHICJAKSA-N 2 0 346.479 1.106 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CO)C1CCCCC1)c1ccccc1 ZINC000548442724 449045421 /nfs/dbraw/zinc/04/54/21/449045421.db2.gz SVSLGCFOEYQXJT-RBUKOAKNSA-N 2 0 347.503 1.936 20 0 EDADRP COc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)cc2c1OCCO2 ZINC000575164078 449052388 /nfs/dbraw/zinc/05/23/88/449052388.db2.gz UUJVDNBEMXMCMP-UHFFFAOYSA-N 2 0 337.464 1.392 20 0 EDADRP O=C(NCCCN1CCOCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522185715 449061693 /nfs/dbraw/zinc/06/16/93/449061693.db2.gz JXYLQXBIEZUHQF-SFHVURJKSA-N 2 0 346.475 1.132 20 0 EDADRP Cc1cnccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000530224921 449086460 /nfs/dbraw/zinc/08/64/60/449086460.db2.gz NFZTZPNKRLYWPV-SJORKVTESA-N 2 0 329.448 1.110 20 0 EDADRP CN(C[C@H](O)C[NH2+][C@@H]1CCN(C(=O)Nc2ccccc2)C1)C1CC1 ZINC000575378743 449087492 /nfs/dbraw/zinc/08/74/92/449087492.db2.gz GKUPRROMFZYJMB-NVXWUHKLSA-N 2 0 332.448 1.338 20 0 EDADRP C[C@@H](C(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000590496075 449176000 /nfs/dbraw/zinc/17/60/00/449176000.db2.gz GYLSWURZOXGMSQ-XWTMOSNGSA-N 2 0 337.508 1.961 20 0 EDADRP CCOC(=O)c1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)nc1 ZINC000595907825 449246059 /nfs/dbraw/zinc/24/60/59/449246059.db2.gz YXYIVSPAPBFBNK-KRWDZBQOSA-N 2 0 335.448 1.801 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)o1 ZINC000614069237 449444225 /nfs/dbraw/zinc/44/42/25/449444225.db2.gz VHMVURMZLXSCFI-GOSISDBHSA-N 2 0 337.464 1.650 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC1 ZINC000614254406 449526257 /nfs/dbraw/zinc/52/62/57/449526257.db2.gz GRYZUBJMEAAFPN-UHFFFAOYSA-N 2 0 339.443 1.823 20 0 EDADRP C[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)(C)O ZINC000606662394 449501357 /nfs/dbraw/zinc/50/13/57/449501357.db2.gz IUYMWDUPIYHGFH-HNNXBMFYSA-N 2 0 349.479 1.052 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1([S@@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469700 449615328 /nfs/dbraw/zinc/61/53/28/449615328.db2.gz WCYPLJLLKZTLAR-IQMFZBJNSA-N 2 0 343.537 1.114 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000614503909 449651860 /nfs/dbraw/zinc/65/18/60/449651860.db2.gz SUGNFMSTQARWHP-ZWKOTPCHSA-N 2 0 330.476 1.186 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000601000569 449645662 /nfs/dbraw/zinc/64/56/62/449645662.db2.gz DMSWCMGGEJLSLR-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000608071326 449740898 /nfs/dbraw/zinc/74/08/98/449740898.db2.gz BHKQZXUSRFVDAD-KYJSFNMBSA-N 2 0 331.460 1.726 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)C1 ZINC000601218978 449756113 /nfs/dbraw/zinc/75/61/13/449756113.db2.gz MRONGWZMUZHWTL-IRXDYDNUSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000601230202 449762654 /nfs/dbraw/zinc/76/26/54/449762654.db2.gz SZCUVVGNWPVGFV-IXDOHACOSA-N 2 0 340.512 1.658 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000594922954 449809437 /nfs/dbraw/zinc/80/94/37/449809437.db2.gz WFNHIZKLUIHVPA-GDIGMMSISA-N 2 0 346.471 1.931 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000597186386 449861923 /nfs/dbraw/zinc/86/19/23/449861923.db2.gz JLTAOQHPFNNTHO-LEUOFYLZSA-N 2 0 332.444 1.817 20 0 EDADRP C[C@@]1(NC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000612893049 449930552 /nfs/dbraw/zinc/93/05/52/449930552.db2.gz PSBHFTCWIVPKLP-LJQANCHMSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@]1(NC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC[NH2+]C1 ZINC000612904180 449935436 /nfs/dbraw/zinc/93/54/36/449935436.db2.gz OVIBEBUABWGBCZ-PIMMBPRGSA-N 2 0 348.413 1.843 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612866093 449917383 /nfs/dbraw/zinc/91/73/83/449917383.db2.gz MOWSIMDGEDEBGW-RDJZCZTQSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)[N@@H+]1CCc2ccccc2C1 ZINC000612967320 449961620 /nfs/dbraw/zinc/96/16/20/449961620.db2.gz ZVRUPVUHFCWBBH-CRAIPNDOSA-N 2 0 342.487 1.875 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000595404194 450117554 /nfs/dbraw/zinc/11/75/54/450117554.db2.gz MKVNKZGXQZRTBM-ZWKOTPCHSA-N 2 0 342.487 1.894 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595548886 450224900 /nfs/dbraw/zinc/22/49/00/450224900.db2.gz AVORQNREIHDLNQ-CQSZACIVSA-N 2 0 330.469 1.170 20 0 EDADRP C[C@H]([C@H](C)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CCOCC1 ZINC000625294253 450278647 /nfs/dbraw/zinc/27/86/47/450278647.db2.gz XIZBPRSIJHIVJA-OGWHTMIXSA-N 2 0 345.487 1.557 20 0 EDADRP C[C@@H](C(=O)N(CCN1CCOCC1)CC1CC1)[NH+]1CCCCCC1 ZINC000619889930 450358262 /nfs/dbraw/zinc/35/82/62/450358262.db2.gz LQHJSZGAEVDKLP-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]2CCCC[NH+](C)C2)C[C@H](C)O1 ZINC000623404197 450515930 /nfs/dbraw/zinc/51/59/30/450515930.db2.gz UHYTYAXFTAETGV-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000623395275 450513391 /nfs/dbraw/zinc/51/33/91/450513391.db2.gz FJAQFCOXVAZESE-BEFAXECRSA-N 2 0 344.459 1.704 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623716730 450570800 /nfs/dbraw/zinc/57/08/00/450570800.db2.gz XKOHSWIWDPWKLD-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2COCCN2C)([NH+](C)C)C1 ZINC000623716122 450570960 /nfs/dbraw/zinc/57/09/60/450570960.db2.gz GFBNFEIAPQLINJ-INMHGKMJSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623717313 450571699 /nfs/dbraw/zinc/57/16/99/450571699.db2.gz UGNSHSDNROSTJV-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000623617915 450552276 /nfs/dbraw/zinc/55/22/76/450552276.db2.gz VGSBFMYQGGVREH-KRWDZBQOSA-N 2 0 327.432 1.302 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCN(C3CCC3)C2=O)cc1 ZINC000623840445 450611870 /nfs/dbraw/zinc/61/18/70/450611870.db2.gz ZYDGCQSJMBBNCC-SFHVURJKSA-N 2 0 331.460 1.870 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000623890789 450626256 /nfs/dbraw/zinc/62/62/56/450626256.db2.gz WTAHZMRIPROUPK-JQHSSLGASA-N 2 0 330.476 1.900 20 0 EDADRP COc1ccc(C[NH2+]CCOCCC[NH3+])c(Br)c1O ZINC000629399303 450649876 /nfs/dbraw/zinc/64/98/76/450649876.db2.gz OJUIJGFLSYADQR-UHFFFAOYSA-N 2 0 333.226 1.618 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000629417947 450662523 /nfs/dbraw/zinc/66/25/23/450662523.db2.gz LICNKEFBXYSFQO-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000629416595 450662589 /nfs/dbraw/zinc/66/25/89/450662589.db2.gz QWMLRWACEFDKTJ-KRWDZBQOSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000623999817 450666308 /nfs/dbraw/zinc/66/63/08/450666308.db2.gz DVEWHUTYJOJMFM-IAGOWNOFSA-N 2 0 325.497 1.330 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cscc1Cl ZINC000635123943 450668202 /nfs/dbraw/zinc/66/82/02/450668202.db2.gz YYKHPZWHWJOHCD-UHFFFAOYSA-N 2 0 346.884 1.292 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1 ZINC000624119639 450715527 /nfs/dbraw/zinc/71/55/27/450715527.db2.gz GORUWCUIMPRDDP-HUUCEWRRSA-N 2 0 339.505 1.977 20 0 EDADRP COc1cc(OC)cc([C@@H](NC(=O)[C@@H](C)[NH+](C)C)c2nccn2C)c1 ZINC000635172451 450717811 /nfs/dbraw/zinc/71/78/11/450717811.db2.gz WYGPWOLJNNEIAH-MLGOLLRUSA-N 2 0 346.431 1.593 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)NCc1ccc(Cl)cc1 ZINC000629569090 450740496 /nfs/dbraw/zinc/74/04/96/450740496.db2.gz OAEVYLXZPWACRA-CYBMUJFWSA-N 2 0 327.856 1.513 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000629570028 450741340 /nfs/dbraw/zinc/74/13/40/450741340.db2.gz SQIUFRJZMUJCJS-LSDHHAIUSA-N 2 0 339.505 1.968 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629571513 450742412 /nfs/dbraw/zinc/74/24/12/450742412.db2.gz VNSZRSYIDUEGNE-LPHOPBHVSA-N 2 0 332.492 1.653 20 0 EDADRP O[C@@H](C[NH2+]CCCc1nc(-c2ccc(F)cc2)no1)C[NH+]1CCCC1 ZINC000629572957 450742549 /nfs/dbraw/zinc/74/25/49/450742549.db2.gz HGPYNJOIPYKQKN-INIZCTEOSA-N 2 0 348.422 1.855 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633253393 450758829 /nfs/dbraw/zinc/75/88/29/450758829.db2.gz VJNLEOFCNUUAHR-KRWDZBQOSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000621702324 450841299 /nfs/dbraw/zinc/84/12/99/450841299.db2.gz RALYRXCAIVAZJP-KXBFYZLASA-N 2 0 341.455 1.989 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCC[C@H](n4cc(C[NH3+])nn4)C3)ccc2oc1=O ZINC000631828105 450800631 /nfs/dbraw/zinc/80/06/31/450800631.db2.gz FGNWTUJOEXPBSL-AWEZNQCLSA-N 2 0 342.403 1.019 20 0 EDADRP O=C(CC[N@H+]1CCc2ccc(C(F)(F)F)cc2C1)N1CC[NH2+]CC1 ZINC000631835211 450804850 /nfs/dbraw/zinc/80/48/50/450804850.db2.gz OXJCNVWMFCNKSX-UHFFFAOYSA-N 2 0 341.377 1.885 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890174 450851947 /nfs/dbraw/zinc/85/19/47/450851947.db2.gz NBSUPOZRKWJUEA-IPMKNSEASA-N 2 0 344.503 1.479 20 0 EDADRP O=C(N1CCC(C[NH+]2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635335319 450860574 /nfs/dbraw/zinc/86/05/74/450860574.db2.gz LOQOIOIXSPHZOX-UHFFFAOYSA-N 2 0 335.492 1.433 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631903399 450862134 /nfs/dbraw/zinc/86/21/34/450862134.db2.gz HLIAHFHLOUDACH-MRXNPFEDSA-N 2 0 327.494 1.681 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000631931533 450890280 /nfs/dbraw/zinc/89/02/80/450890280.db2.gz KSOYTWDVEVDFBL-QGZVFWFLSA-N 2 0 335.473 1.711 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635445196 450947740 /nfs/dbraw/zinc/94/77/40/450947740.db2.gz CILKTZCHENUHRH-ZWKOTPCHSA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000626933537 451015976 /nfs/dbraw/zinc/01/59/76/451015976.db2.gz MDNMJIDOGZIETA-LSDHHAIUSA-N 2 0 340.493 1.419 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)Cc1ccccc1 ZINC000626934312 451016127 /nfs/dbraw/zinc/01/61/27/451016127.db2.gz XGVLVXPXYCERNN-CGTJXYLNSA-N 2 0 332.492 1.989 20 0 EDADRP CN(CCOCC[NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939550 451020121 /nfs/dbraw/zinc/02/01/21/451020121.db2.gz IPSXYMHNCGTDBZ-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000626953806 451030642 /nfs/dbraw/zinc/03/06/42/451030642.db2.gz FWLYJNGBBGKHDC-QGZVFWFLSA-N 2 0 346.475 1.568 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000626953548 451031083 /nfs/dbraw/zinc/03/10/83/451031083.db2.gz VKQGXWROJARYOG-JCGIZDLHSA-N 2 0 330.476 1.873 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000626954673 451032650 /nfs/dbraw/zinc/03/26/50/451032650.db2.gz IOQSWMDKDIWQDS-SFHVURJKSA-N 2 0 348.491 1.576 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C[NH2+]1 ZINC000627002557 451067688 /nfs/dbraw/zinc/06/76/88/451067688.db2.gz SJARGDSBMDXMSX-XLNGHYISSA-N 2 0 338.496 1.194 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000627005915 451070108 /nfs/dbraw/zinc/07/01/08/451070108.db2.gz NXGBGKPZIFUOPR-DLBZAZTESA-N 2 0 334.464 1.309 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627023012 451086904 /nfs/dbraw/zinc/08/69/04/451086904.db2.gz HZSDAMFBBDVLOQ-KRWDZBQOSA-N 2 0 346.475 1.316 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000627114838 451131308 /nfs/dbraw/zinc/13/13/08/451131308.db2.gz LHFXSRBMMQQWCU-SZMVWBNQSA-N 2 0 346.475 1.534 20 0 EDADRP C[NH2+]CCOCCNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000627178260 451167379 /nfs/dbraw/zinc/16/73/79/451167379.db2.gz RYRIXBRRGBGGOZ-UHFFFAOYSA-N 2 0 338.452 1.121 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000635716495 451194926 /nfs/dbraw/zinc/19/49/26/451194926.db2.gz SOPXXBVDJPYPPX-SFHVURJKSA-N 2 0 336.524 1.488 20 0 EDADRP [NH3+]Cc1ncc(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)cn1 ZINC000638088907 451253622 /nfs/dbraw/zinc/25/36/22/451253622.db2.gz LPGUAOBFBLZCTE-UHFFFAOYSA-N 2 0 343.456 1.736 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634260797 451254810 /nfs/dbraw/zinc/25/48/10/451254810.db2.gz WDURHUVFEMPENL-DLBZAZTESA-N 3 0 339.528 1.186 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638096963 451261211 /nfs/dbraw/zinc/26/12/11/451261211.db2.gz OQGDTXOSHUCDCO-GHMZBOCLSA-N 2 0 344.410 1.210 20 0 EDADRP [NH3+][C@@H](c1cn(CCC[NH+]2CCSCC2)nn1)C1CCOCC1 ZINC000630589959 451266504 /nfs/dbraw/zinc/26/65/04/451266504.db2.gz OTPHKJOYIUASIN-OAHLLOKOSA-N 2 0 325.482 1.143 20 0 EDADRP O=C(CCC1C[NH2+]C1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000638113875 451282929 /nfs/dbraw/zinc/28/29/29/451282929.db2.gz FQEJPLCYTXZRNM-UHFFFAOYSA-N 2 0 331.460 1.777 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638131235 451302598 /nfs/dbraw/zinc/30/25/98/451302598.db2.gz PYGIOFVWALEJHJ-KRWDZBQOSA-N 2 0 333.476 1.348 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638131697 451304298 /nfs/dbraw/zinc/30/42/98/451304298.db2.gz AKPAKLWTXUUIFY-JLSDUUJJSA-N 2 0 330.476 1.045 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000638137743 451313748 /nfs/dbraw/zinc/31/37/48/451313748.db2.gz MXOTUWCRZPNFJV-KRWDZBQOSA-N 2 0 332.492 1.621 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638152833 451324575 /nfs/dbraw/zinc/32/45/75/451324575.db2.gz RWQCOCYYSASNPN-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000635878911 451326025 /nfs/dbraw/zinc/32/60/25/451326025.db2.gz XLBIJHJEMQTYTO-GBESFXJTSA-N 2 0 327.472 1.919 20 0 EDADRP O=C(N[C@H]1Cc2cncn2C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636587629 451327937 /nfs/dbraw/zinc/32/79/37/451327937.db2.gz IAIQBPFBYHUFTN-IRXDYDNUSA-N 2 0 339.443 1.772 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000638120505 451288528 /nfs/dbraw/zinc/28/85/28/451288528.db2.gz DYYRTINUMFRGAE-UHFFFAOYSA-N 2 0 327.428 1.876 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638258054 451384347 /nfs/dbraw/zinc/38/43/47/451384347.db2.gz FIFDPDSJSKSCEU-UHFFFAOYSA-N 2 0 348.491 1.494 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638267081 451388005 /nfs/dbraw/zinc/38/80/05/451388005.db2.gz FDRKLEGMLGAYDG-ROUUACIJSA-N 2 0 344.503 1.614 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])c2)CC1 ZINC000638303330 451417859 /nfs/dbraw/zinc/41/78/59/451417859.db2.gz QHAQHYPKFAAYIN-DLBZAZTESA-N 2 0 332.448 1.272 20 0 EDADRP COC[C@@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCCC[NH2+]1 ZINC000638328286 451436043 /nfs/dbraw/zinc/43/60/43/451436043.db2.gz GNQVZJAOIKSUGA-MRXNPFEDSA-N 2 0 338.477 1.707 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCCNC(=O)C2)[C@@H](c2ccccc2)C1 ZINC000638356212 451457994 /nfs/dbraw/zinc/45/79/94/451457994.db2.gz XWQVHYTXYFCFGW-RBUKOAKNSA-N 2 0 344.503 1.624 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000638358543 451458275 /nfs/dbraw/zinc/45/82/75/451458275.db2.gz FEGWEGQTTBAEHJ-CYBMUJFWSA-N 2 0 329.510 1.311 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCOCC1 ZINC000638371800 451468584 /nfs/dbraw/zinc/46/85/84/451468584.db2.gz XEOJJNCSMBDBBL-GOSISDBHSA-N 2 0 348.491 1.365 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000638376442 451472540 /nfs/dbraw/zinc/47/25/40/451472540.db2.gz KQKHOKVWMIAATF-MAUKXSAKSA-N 2 0 333.476 1.719 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388969 451480428 /nfs/dbraw/zinc/48/04/28/451480428.db2.gz KSJNYBTZRHUYBV-SFHVURJKSA-N 2 0 344.434 1.360 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000638404094 451492471 /nfs/dbraw/zinc/49/24/71/451492471.db2.gz ZFMYKMYSSXBNKD-IEBWSBKVSA-N 2 0 345.487 1.803 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000638340021 451444290 /nfs/dbraw/zinc/44/42/90/451444290.db2.gz ADXHBEBRANAYTD-DLBZAZTESA-N 2 0 349.450 1.437 20 0 EDADRP COc1cc(F)cc(OC)c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000631039031 451546388 /nfs/dbraw/zinc/54/63/88/451546388.db2.gz AZSIRENBVSHPRK-UHFFFAOYSA-N 2 0 339.455 1.959 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)cc1 ZINC000638526777 451558703 /nfs/dbraw/zinc/55/87/03/451558703.db2.gz PSRSZZIUAYSIOF-IRXDYDNUSA-N 2 0 344.459 1.447 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000638530351 451561300 /nfs/dbraw/zinc/56/13/00/451561300.db2.gz SGMQKDWBWMDCIM-CVEARBPZSA-N 2 0 335.521 1.862 20 0 EDADRP COCCc1ncc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000631063112 451563412 /nfs/dbraw/zinc/56/34/12/451563412.db2.gz BJZCRDHOHXOXTD-UHFFFAOYSA-N 2 0 326.510 1.449 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638571116 451582237 /nfs/dbraw/zinc/58/22/37/451582237.db2.gz PDXYFEKCYBLWOO-RDJZCZTQSA-N 2 0 339.528 1.170 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@]12CCCO2 ZINC000638618502 451611753 /nfs/dbraw/zinc/61/17/53/451611753.db2.gz IFVOPDPVCOLSOH-BSDSXHPESA-N 2 0 326.481 1.540 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638601458 451598981 /nfs/dbraw/zinc/59/89/81/451598981.db2.gz DGKXWJLJNMRMGO-IRXDYDNUSA-N 2 0 337.508 1.997 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638602519 451601080 /nfs/dbraw/zinc/60/10/80/451601080.db2.gz NBHRGDYCONTQBZ-UHFFFAOYSA-N 2 0 345.487 1.775 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638567183 451579637 /nfs/dbraw/zinc/57/96/37/451579637.db2.gz YTIMTLXTYPSKDF-OAHLLOKOSA-N 2 0 345.553 1.947 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638692088 451655929 /nfs/dbraw/zinc/65/59/29/451655929.db2.gz CPQHMHBETWFLIF-UHFFFAOYSA-N 2 0 345.553 1.949 20 0 EDADRP CO[C@@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@H]1CCOC1 ZINC000638694010 451657739 /nfs/dbraw/zinc/65/77/39/451657739.db2.gz YPZUCWARSSPBSX-ROUUACIJSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637032459 451689679 /nfs/dbraw/zinc/68/96/79/451689679.db2.gz AYOPMUVLEYGUNA-BFYDXBDKSA-N 2 0 338.496 1.005 20 0 EDADRP C[C@@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+]1CCCCCC1 ZINC000638783090 451689866 /nfs/dbraw/zinc/68/98/66/451689866.db2.gz HILFLJARYFRAQK-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)COCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000638831188 451704814 /nfs/dbraw/zinc/70/48/14/451704814.db2.gz JLHLMLLKIGSZIS-ZDUSSCGKSA-N 2 0 333.354 1.400 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cn2)CC1 ZINC000632962155 451670759 /nfs/dbraw/zinc/67/07/59/451670759.db2.gz YHARIOZOYLZUOV-XJKSGUPXSA-N 2 0 332.452 1.366 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000641071693 451745128 /nfs/dbraw/zinc/74/51/28/451745128.db2.gz JCTBFMFAEYHATL-IXDOHACOSA-N 2 0 334.439 1.794 20 0 EDADRP CC(=O)N[C@H](CCC(C)C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985427 451746852 /nfs/dbraw/zinc/74/68/52/451746852.db2.gz HEFKHHBNAFELIX-MRXNPFEDSA-N 2 0 347.463 1.371 20 0 EDADRP [NH3+]C[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638987738 451748021 /nfs/dbraw/zinc/74/80/21/451748021.db2.gz XTUDEEYEMRWMQW-MRXNPFEDSA-N 3 0 325.416 1.172 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H](OC)C1CCOCC1 ZINC000639171024 451784429 /nfs/dbraw/zinc/78/44/29/451784429.db2.gz OJHXZWXKRLIEAD-RBUKOAKNSA-N 2 0 341.540 1.776 20 0 EDADRP CN(CC[N@H+](C)CC(C)(C)N1CCOCC1)C1CC[NH+](C)CC1 ZINC000639169920 451784590 /nfs/dbraw/zinc/78/45/90/451784590.db2.gz MYQUINVAXJRQBI-UHFFFAOYSA-N 2 0 326.529 1.055 20 0 EDADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000649072007 451808145 /nfs/dbraw/zinc/80/81/45/451808145.db2.gz WVHCRNBRPYACCS-NVXWUHKLSA-N 2 0 346.475 1.258 20 0 EDADRP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1C ZINC000644529105 451844167 /nfs/dbraw/zinc/84/41/67/451844167.db2.gz YXCBFKBZZJNLAA-GOSISDBHSA-N 2 0 344.503 1.791 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000644561609 451861226 /nfs/dbraw/zinc/86/12/26/451861226.db2.gz CHGMUDJGKGTHDM-PKOBYXMFSA-N 2 0 335.467 1.487 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000646847548 451885361 /nfs/dbraw/zinc/88/53/61/451885361.db2.gz ABCGEVMALPJZEC-MAUKXSAKSA-N 2 0 331.460 1.473 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)[NH+](C)C)c1 ZINC000649278676 451948692 /nfs/dbraw/zinc/94/86/92/451948692.db2.gz WBEDRJKPQAGWJI-LSDHHAIUSA-N 2 0 341.402 1.659 20 0 EDADRP O[C@]1(C[N@@H+]2CC[C@@H]([C@@H]3CCOC3)C2)CCN(Cc2ccccc2)C1 ZINC000639545317 451935693 /nfs/dbraw/zinc/93/56/93/451935693.db2.gz UUXRTAJQECALGT-AQNXPRMDSA-N 2 0 330.472 1.982 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1([NH3+])CCN(C(C)=O)C1)c1ccccc1 ZINC000649268487 451942066 /nfs/dbraw/zinc/94/20/66/451942066.db2.gz LJXKFUAEAXBOIQ-MJGOQNOKSA-N 2 0 346.475 1.135 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000653432532 451945517 /nfs/dbraw/zinc/94/55/17/451945517.db2.gz MSNNAMPVFVPOEC-UHFFFAOYSA-N 2 0 345.447 1.045 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[NH+]2CCCCC2)cc1 ZINC000649277585 451947712 /nfs/dbraw/zinc/94/77/12/451947712.db2.gz HAPJQUWQQKGNBW-ZSYWTGECSA-N 2 0 343.471 1.804 20 0 EDADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000639566211 451947796 /nfs/dbraw/zinc/94/77/96/451947796.db2.gz JARULRPPUNWINM-AZUAARDMSA-N 3 0 340.471 1.846 20 0 EDADRP COCCC1(C(=O)N(C)C2CC[NH+](C(C)C)CC2)CC[NH2+]CC1 ZINC000649285418 451959359 /nfs/dbraw/zinc/95/93/59/451959359.db2.gz YSSKRPZMRMTYSR-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)[C@@]3(N)CC[N@H+](C)C3)cc2)CC1 ZINC000649288288 451962246 /nfs/dbraw/zinc/96/22/46/451962246.db2.gz IOHUCZBWKYDHPD-LJQANCHMSA-N 2 0 330.476 1.890 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COC2(C)C[NH2+]C2)C1 ZINC000649288338 451962586 /nfs/dbraw/zinc/96/25/86/451962586.db2.gz LBKQLQOMMZEPGU-MRXNPFEDSA-N 2 0 345.487 1.913 20 0 EDADRP COc1cc(CNC(=O)[C@H]2[NH2+]CC2(C)C)ccc1OCC[NH+](C)C ZINC000649302081 451978485 /nfs/dbraw/zinc/97/84/85/451978485.db2.gz TYCUVPLBLJBGAP-MRXNPFEDSA-N 2 0 335.448 1.250 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CN1CCCC[C@H]([NH3+])C1=O ZINC000649310482 451987466 /nfs/dbraw/zinc/98/74/66/451987466.db2.gz MJKSCWOKIWDPOJ-HOTGVXAUSA-N 2 0 338.496 1.097 20 0 EDADRP C[N@@H+]1CC[C@@](N)(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000649312941 451991082 /nfs/dbraw/zinc/99/10/82/451991082.db2.gz MXXQQIATVPHYDN-KRWDZBQOSA-N 2 0 334.489 1.207 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc21 ZINC000649338586 452018910 /nfs/dbraw/zinc/01/89/10/452018910.db2.gz NEVYFAMIMMRAOY-UHFFFAOYSA-N 2 0 330.432 1.520 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)o1 ZINC000647079097 452047156 /nfs/dbraw/zinc/04/71/56/452047156.db2.gz ZDBCKFMTBOBONH-HNNXBMFYSA-N 2 0 349.475 1.949 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000649412064 452075469 /nfs/dbraw/zinc/07/54/69/452075469.db2.gz HCNYNRSHQPAJEF-AABGKKOBSA-N 2 0 347.503 1.104 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000644941247 452076260 /nfs/dbraw/zinc/07/62/60/452076260.db2.gz WGJCWLPXXHXCBK-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCN(c3ccccn3)C2)CC1 ZINC000643235432 452086837 /nfs/dbraw/zinc/08/68/37/452086837.db2.gz UPDBQKMSLJRDAD-PCKAHOCUSA-N 2 0 331.464 1.832 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000637804096 452090727 /nfs/dbraw/zinc/09/07/27/452090727.db2.gz LWAMTUCXXAJUDX-IAGOWNOFSA-N 2 0 343.427 1.390 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000639762180 452100972 /nfs/dbraw/zinc/10/09/72/452100972.db2.gz HHJGBFNZEOARDP-QFBILLFUSA-N 2 0 339.524 1.660 20 0 EDADRP COC[C@@H](CC(C)(C)C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000651830292 452102879 /nfs/dbraw/zinc/10/28/79/452102879.db2.gz KCCLVHJVDDHLAZ-QGZVFWFLSA-N 2 0 341.540 1.824 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639763456 452103756 /nfs/dbraw/zinc/10/37/56/452103756.db2.gz QSMIDBWCGGUKBH-VQTJNVASSA-N 2 0 347.503 1.012 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C[C@H](C)[NH2+]1 ZINC000637840098 452110450 /nfs/dbraw/zinc/11/04/50/452110450.db2.gz NLUCRUNZMWCVQZ-BETUJISGSA-N 2 0 345.447 1.126 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637844884 452113205 /nfs/dbraw/zinc/11/32/05/452113205.db2.gz RZXQVWAIZWLJJX-SNVBAGLBSA-N 2 0 344.410 1.243 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221288 452217270 /nfs/dbraw/zinc/21/72/70/452217270.db2.gz LQWMHIGEPZNAKU-FRQCXROJSA-N 2 0 344.459 1.263 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)C(C)(C)C2)C1 ZINC000641741178 452230892 /nfs/dbraw/zinc/23/08/92/452230892.db2.gz DLAGVEIWIVOMLI-OAHLLOKOSA-N 2 0 326.485 1.079 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659437795 452284742 /nfs/dbraw/zinc/28/47/42/452284742.db2.gz IDKWFAGZVPEEHO-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000643531946 452295775 /nfs/dbraw/zinc/29/57/75/452295775.db2.gz DIDYCRMMZZKWBV-HOTGVXAUSA-N 2 0 340.512 1.153 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000659450084 452300831 /nfs/dbraw/zinc/30/08/31/452300831.db2.gz GUFUGWXQOAYLHV-AWEZNQCLSA-N 2 0 334.464 1.050 20 0 EDADRP CC(C)([NH3+])CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000641820920 452302017 /nfs/dbraw/zinc/30/20/17/452302017.db2.gz GTPLBXXBVVWWTJ-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[NH+](C(C)(C)C)C2)C1 ZINC000661505669 452308689 /nfs/dbraw/zinc/30/86/89/452308689.db2.gz CBPDOFBLGZOHFT-CVEARBPZSA-N 2 0 340.512 1.515 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659457348 452311138 /nfs/dbraw/zinc/31/11/38/452311138.db2.gz ZRDIIHWPZLSXEJ-SZMVWBNQSA-N 2 0 346.450 1.807 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659458838 452312697 /nfs/dbraw/zinc/31/26/97/452312697.db2.gz ALJSXYRCKNRDRQ-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652119536 452315589 /nfs/dbraw/zinc/31/55/89/452315589.db2.gz JOTLTKPBLISMFP-YQQAZPJKSA-N 2 0 338.496 1.399 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C[C@H](O)C[N@H+](C)CCOC)CC1 ZINC000639986423 452317632 /nfs/dbraw/zinc/31/76/32/452317632.db2.gz MKQRUGOAHWIZAX-QGZVFWFLSA-N 2 0 327.513 1.266 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@]1(C)CCCC[C@H]1O ZINC000665759518 452326823 /nfs/dbraw/zinc/32/68/23/452326823.db2.gz JERWNPBKKYZBIU-JZXOWHBKSA-N 2 0 342.528 1.499 20 0 EDADRP CC(=O)NC(C)(C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606721 452332759 /nfs/dbraw/zinc/33/27/59/452332759.db2.gz MPJYHTIRSXOAMX-UHFFFAOYSA-N 2 0 346.475 1.011 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659485181 452345865 /nfs/dbraw/zinc/34/58/65/452345865.db2.gz KKWFJHTULVHYAZ-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652171177 452366380 /nfs/dbraw/zinc/36/63/80/452366380.db2.gz CPNGDBYINSBHFW-GVDBMIGSSA-N 2 0 340.512 1.360 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659506224 452371069 /nfs/dbraw/zinc/37/10/69/452371069.db2.gz MNIJMHGKPNDRMY-SFHVURJKSA-N 2 0 346.475 1.195 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659511607 452375341 /nfs/dbraw/zinc/37/53/41/452375341.db2.gz HKXHUAQLRUDACF-UHFFFAOYSA-N 2 0 347.507 1.981 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H](C)C[NH3+])cc1F ZINC000659526250 452388903 /nfs/dbraw/zinc/38/89/03/452388903.db2.gz NDRBSTCIJJOOOE-WHOFXGATSA-N 2 0 338.427 1.174 20 0 EDADRP O=C(NCC1C[NH2+]C1)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659526813 452390484 /nfs/dbraw/zinc/39/04/84/452390484.db2.gz GJLMVWWOCPUGGA-GOSISDBHSA-N 2 0 342.487 1.807 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCC3([NH3+])CCCCC3)C2)C1 ZINC000652202287 452399646 /nfs/dbraw/zinc/39/96/46/452399646.db2.gz GQHOTQQAHQARGA-BZUAXINKSA-N 2 0 338.496 1.576 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@@H]1CCC[NH2+]C1 ZINC000652202451 452400623 /nfs/dbraw/zinc/40/06/23/452400623.db2.gz KGUFVVVCSKSHMY-QEOTZNIISA-N 2 0 338.496 1.302 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000652204074 452401265 /nfs/dbraw/zinc/40/12/65/452401265.db2.gz FDSASFGBVKTYMD-UHFFFAOYSA-N 2 0 341.459 1.780 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000659544822 452402442 /nfs/dbraw/zinc/40/24/42/452402442.db2.gz XZCNQSWHLXAAKC-BASLNEPJSA-N 2 0 334.439 1.711 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000659545332 452403892 /nfs/dbraw/zinc/40/38/92/452403892.db2.gz ZSKNWVIVWVHUHV-ZTFGCOKTSA-N 2 0 346.475 1.193 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645453917 452423971 /nfs/dbraw/zinc/42/39/71/452423971.db2.gz UBPLHUSQXAHUAO-KRWDZBQOSA-N 2 0 330.476 1.313 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)o1 ZINC000645453893 452424468 /nfs/dbraw/zinc/42/44/68/452424468.db2.gz SHUDMLQZYCTXKS-UHFFFAOYSA-N 2 0 342.443 1.680 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C2 ZINC000659576478 452430861 /nfs/dbraw/zinc/43/08/61/452430861.db2.gz JEKXUPOKHRQNGR-XFKSJGNHSA-N 2 0 342.487 1.903 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581513 452437088 /nfs/dbraw/zinc/43/70/88/452437088.db2.gz OAEQVYXZBWJPGH-BRWVUGGUSA-N 2 0 336.455 1.944 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655632571 452456259 /nfs/dbraw/zinc/45/62/59/452456259.db2.gz NNYLUSCLIGYTTA-GASCZTMLSA-N 2 0 325.478 1.367 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000663739806 452471840 /nfs/dbraw/zinc/47/18/40/452471840.db2.gz WQGZWZFZCSJABP-OAHLLOKOSA-N 2 0 333.480 1.685 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507475 452476373 /nfs/dbraw/zinc/47/63/73/452476373.db2.gz ODQLIARVPKNYMY-SFHVURJKSA-N 2 0 344.503 1.438 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347109 452523173 /nfs/dbraw/zinc/52/31/73/452523173.db2.gz RUDGFSBRJVALCC-FHWLQOOXSA-N 2 0 345.487 1.830 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+]([C@H]3CCN(CC(F)(F)F)C3=O)C2)C1 ZINC000652348813 452524905 /nfs/dbraw/zinc/52/49/05/452524905.db2.gz SDAHXXYQXNNTFG-CRWXNKLISA-N 2 0 349.397 1.368 20 0 EDADRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C[NH3+] ZINC000652357037 452535225 /nfs/dbraw/zinc/53/52/25/452535225.db2.gz YFHPCMKCNNDCAR-IAQYHMDHSA-N 2 0 327.375 1.589 20 0 EDADRP [NH3+]CCC1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000652359655 452539772 /nfs/dbraw/zinc/53/97/72/452539772.db2.gz OWFISHZRGWEKER-UHFFFAOYSA-N 2 0 345.491 1.181 20 0 EDADRP C([C@H]1CCOC1)[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655725942 452539979 /nfs/dbraw/zinc/53/99/79/452539979.db2.gz NZRYTVBKGLOFNE-APWZRJJASA-N 2 0 337.508 1.330 20 0 EDADRP CCN(C(=O)NC1CC[NH+](CCOC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663826370 452553711 /nfs/dbraw/zinc/55/37/11/452553711.db2.gz RSKWTPLCZOXOPZ-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657835754 452558452 /nfs/dbraw/zinc/55/84/52/452558452.db2.gz OFPHJHIORZGMSC-GOSISDBHSA-N 2 0 327.513 1.435 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1(C)C ZINC000655762733 452564208 /nfs/dbraw/zinc/56/42/08/452564208.db2.gz IIZMKGAQRADCTC-GOSISDBHSA-N 2 0 338.540 1.245 20 0 EDADRP CC1(C)C[C@@H](O)CC[NH+](CC(O)C[N@H+]2CC[C@H](O)CC(C)(C)C2)C1 ZINC000650163614 452565993 /nfs/dbraw/zinc/56/59/93/452565993.db2.gz FHIVLZHSTFCWFG-HOTGVXAUSA-N 2 0 342.524 1.313 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2COC3(CCC3)C2)c1 ZINC000657867725 452578689 /nfs/dbraw/zinc/57/86/89/452578689.db2.gz JPTVOTDMQLYDFF-KRWDZBQOSA-N 2 0 331.460 1.779 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187927 452583957 /nfs/dbraw/zinc/58/39/57/452583957.db2.gz MFNYWIYRESEOPE-VQIMIIECSA-N 2 0 345.487 1.531 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000652460615 452655644 /nfs/dbraw/zinc/65/56/44/452655644.db2.gz AHEWFUAOJPVJNH-HZPDHXFCSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)c2ccn(CC[NH+](C)C)n2)([NH+](C)C)C1 ZINC000654573827 452658402 /nfs/dbraw/zinc/65/84/02/452658402.db2.gz PIFLDGJRULTLPF-YJBOKZPZSA-N 2 0 335.496 1.685 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccc(F)cc1 ZINC000655912409 452670381 /nfs/dbraw/zinc/67/03/81/452670381.db2.gz VBZDPHRMJLSOOB-NWDGAFQWSA-N 2 0 336.333 1.617 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+]2CCCC2)o1 ZINC000655915160 452674416 /nfs/dbraw/zinc/67/44/16/452674416.db2.gz LIQYYCMVTGKXBL-YPMHNXCESA-N 2 0 348.369 1.914 20 0 EDADRP C[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCN1c1nccn2cnnc12 ZINC000647990202 452733869 /nfs/dbraw/zinc/73/38/69/452733869.db2.gz FOBRHBONYLNBEG-HNNXBMFYSA-N 2 0 343.479 1.415 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccnn2-c2ccccn2)CC1 ZINC000648008203 452748431 /nfs/dbraw/zinc/74/84/31/452748431.db2.gz YSGPBFIWUMIJRT-UHFFFAOYSA-N 2 0 329.448 1.810 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000659879275 452754272 /nfs/dbraw/zinc/75/42/72/452754272.db2.gz VIIZAOGEUSEGDM-QZTJIDSGSA-N 2 0 336.524 1.204 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655973862 452756925 /nfs/dbraw/zinc/75/69/25/452756925.db2.gz JSZOTWSJCVIHJB-DLBZAZTESA-N 2 0 338.496 1.543 20 0 EDADRP CCN(C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@H]1CC[N@H+](CC)C1 ZINC000664066294 452759150 /nfs/dbraw/zinc/75/91/50/452759150.db2.gz UGZRSVXDOIBWIC-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP Cn1ccnc1CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000648118573 452835898 /nfs/dbraw/zinc/83/58/98/452835898.db2.gz QOBRTNYSTWGJNK-BZUAXINKSA-N 2 0 345.491 1.266 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000648190314 452899612 /nfs/dbraw/zinc/89/96/12/452899612.db2.gz QOOQZLVYZZMQSF-BHDSKKPTSA-N 2 0 328.254 1.865 20 0 EDADRP C[C@H](O)[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482960 452900275 /nfs/dbraw/zinc/90/02/75/452900275.db2.gz SPZZLQLKVPKXBP-QFBILLFUSA-N 2 0 334.460 1.743 20 0 EDADRP COc1cccc(SCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000662243053 452970129 /nfs/dbraw/zinc/97/01/29/452970129.db2.gz KUBSQQKQHZSHPE-CQSZACIVSA-N 2 0 337.489 1.574 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCc2nsc3ccccc23)C1 ZINC000662242772 452970615 /nfs/dbraw/zinc/97/06/15/452970615.db2.gz JAAGCAWNAQFLHW-ZDUSSCGKSA-N 2 0 332.473 1.626 20 0 EDADRP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252684 452980165 /nfs/dbraw/zinc/98/01/65/452980165.db2.gz RHRFBAFDAXVBRJ-QGZVFWFLSA-N 2 0 329.444 1.532 20 0 EDADRP NC(=O)C1(c2ccccc2)CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254725 452983042 /nfs/dbraw/zinc/98/30/42/452983042.db2.gz KGFHXRISAMJYHW-INIZCTEOSA-N 2 0 329.444 1.027 20 0 EDADRP c1ccc2nc(N3CC[NH+](C[C@@H]4CCC5(C[NH2+]C5)O4)CC3)ccc2c1 ZINC000662260524 452991183 /nfs/dbraw/zinc/99/11/83/452991183.db2.gz OLWVJCARPWUXHC-KRWDZBQOSA-N 2 0 338.455 1.878 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)[C@@H]1CCC[NH2+]1 ZINC000662265569 452997453 /nfs/dbraw/zinc/99/74/53/452997453.db2.gz RHBVUGHYSJZOIE-BBRMVZONSA-N 2 0 332.448 1.632 20 0 EDADRP CN1CC[C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccc(F)c(F)c1 ZINC000662281043 453004335 /nfs/dbraw/zinc/00/43/35/453004335.db2.gz HRGFMBHEIGITGJ-XOKHGSTOSA-N 2 0 337.414 1.821 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCCN2CCCC[C@H]12 ZINC000656278170 453004863 /nfs/dbraw/zinc/00/48/63/453004863.db2.gz PPLFDAGYWGSHKX-IAGOWNOFSA-N 2 0 327.428 1.889 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000662281531 453007166 /nfs/dbraw/zinc/00/71/66/453007166.db2.gz NCAXOVAXGYRIEZ-HUUCEWRRSA-N 2 0 336.484 1.189 20 0 EDADRP C[C@H](C(=O)NC1CC1)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662328089 453044916 /nfs/dbraw/zinc/04/49/16/453044916.db2.gz OHPLYJJQBQALQE-CYBMUJFWSA-N 2 0 345.491 1.723 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)c2cnnn2C2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000662401368 453112539 /nfs/dbraw/zinc/11/25/39/453112539.db2.gz SBPFAYPBVYLCPD-KSSFIOAISA-N 2 0 348.495 1.443 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662401650 453113220 /nfs/dbraw/zinc/11/32/20/453113220.db2.gz PSEKHJOECWIJIP-UHFFFAOYSA-N 2 0 348.495 1.395 20 0 EDADRP [NH3+][C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)c1ccccc1 ZINC000662414030 453123300 /nfs/dbraw/zinc/12/33/00/453123300.db2.gz TYDYAHXTJMZNLX-HUUCEWRRSA-N 2 0 328.420 1.023 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000662426784 453135125 /nfs/dbraw/zinc/13/51/25/453135125.db2.gz CGVDDXSAUDKPNE-INIZCTEOSA-N 2 0 338.540 1.672 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662431373 453139191 /nfs/dbraw/zinc/13/91/91/453139191.db2.gz JVPRBRZYVGBKCJ-UHFFFAOYSA-N 2 0 334.468 1.054 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000646139500 453147672 /nfs/dbraw/zinc/14/76/72/453147672.db2.gz WDVBYNVFHARXGT-JKSUJKDBSA-N 2 0 339.867 1.828 20 0 EDADRP C[C@@H](CNC(=O)N(C)CC1C[NH+](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000660281302 453171491 /nfs/dbraw/zinc/17/14/91/453171491.db2.gz FZNOKRABFSENDA-HNNXBMFYSA-N 2 0 330.476 1.636 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666837651 453180942 /nfs/dbraw/zinc/18/09/42/453180942.db2.gz LECPDKDCDYWNAU-OAHLLOKOSA-N 2 0 332.448 1.274 20 0 EDADRP [NH3+]C1(c2noc(Cn3cc([C@@H]4CCC[NH2+]C4)nn3)n2)CCCCCC1 ZINC000656440314 453181044 /nfs/dbraw/zinc/18/10/44/453181044.db2.gz RNWINROZBXDNLQ-CYBMUJFWSA-N 2 0 345.451 1.685 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000662485301 453200673 /nfs/dbraw/zinc/20/06/73/453200673.db2.gz PCPOVOOBDNJFRH-UHFFFAOYSA-N 2 0 334.464 1.249 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662488738 453206884 /nfs/dbraw/zinc/20/68/84/453206884.db2.gz VINJUWDKFDAJCU-AWEZNQCLSA-N 2 0 349.479 1.106 20 0 EDADRP [NH3+]CCOCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000646249068 453255034 /nfs/dbraw/zinc/25/50/34/453255034.db2.gz HSDGPBMWAQYZSB-MSOLQXFVSA-N 2 0 331.460 1.475 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC[N@@H+]3CCCOCC3)cc21 ZINC000662536398 453261228 /nfs/dbraw/zinc/26/12/28/453261228.db2.gz LJSFOWCZVDHLLV-QGZVFWFLSA-N 2 0 331.460 1.517 20 0 EDADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653111132 453298304 /nfs/dbraw/zinc/29/83/04/453298304.db2.gz FMHRSEHFJYLELV-ZWKOTPCHSA-N 3 0 332.492 1.388 20 0 EDADRP CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000653113205 453299032 /nfs/dbraw/zinc/29/90/32/453299032.db2.gz WETFSSWSFCKQEM-NZSAHSFTSA-N 2 0 346.519 1.949 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000653113387 453299477 /nfs/dbraw/zinc/29/94/77/453299477.db2.gz AUBARHFNBPUEOO-HOCLYGCPSA-N 2 0 338.521 1.355 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000653113386 453299623 /nfs/dbraw/zinc/29/96/23/453299623.db2.gz AUBARHFNBPUEOO-GOEBONIOSA-N 2 0 338.521 1.355 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000653119498 453308788 /nfs/dbraw/zinc/30/87/88/453308788.db2.gz LUOOCULRXKARTJ-GOSISDBHSA-N 2 0 348.491 1.056 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000653120844 453309783 /nfs/dbraw/zinc/30/97/83/453309783.db2.gz CJEIPSFRIFPKNP-INIZCTEOSA-N 2 0 331.464 1.420 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@@H]1c1cccs1 ZINC000653121994 453312466 /nfs/dbraw/zinc/31/24/66/453312466.db2.gz IEOYFMFVLVDGRJ-KKBFJZEXSA-N 2 0 349.500 1.483 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1(C)C ZINC000662588866 453315966 /nfs/dbraw/zinc/31/59/66/453315966.db2.gz FRYJVLHXEBVFJP-FCEWJHQRSA-N 2 0 337.508 1.757 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2CCC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000653124812 453319654 /nfs/dbraw/zinc/31/96/54/453319654.db2.gz HVZOSVZJNIQPHL-QGZVFWFLSA-N 2 0 336.524 1.443 20 0 EDADRP [NH3+]Cc1cc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc(C(F)(F)F)c1 ZINC000653136284 453327057 /nfs/dbraw/zinc/32/70/57/453327057.db2.gz IWLVVYLRCPFFOO-FZMZJTMJSA-N 2 0 329.322 1.339 20 0 EDADRP CC(C)[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@H](C)[NH3+] ZINC000662613436 453332037 /nfs/dbraw/zinc/33/20/37/453332037.db2.gz FZJGQNGENAVUGA-YOEHRIQHSA-N 2 0 325.497 1.613 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653148571 453336841 /nfs/dbraw/zinc/33/68/41/453336841.db2.gz CXEXFRFGWWQMKO-ZWKOTPCHSA-N 2 0 334.508 1.003 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653152207 453340745 /nfs/dbraw/zinc/34/07/45/453340745.db2.gz FLZYNUCTVOYFFE-ROUUACIJSA-N 2 0 328.460 1.945 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158196 453350983 /nfs/dbraw/zinc/35/09/83/453350983.db2.gz XIJJXWBTUQAQSC-NEWSRXKRSA-N 3 0 346.519 1.682 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000662672771 453388228 /nfs/dbraw/zinc/38/82/28/453388228.db2.gz DSVMZRYDGKOXCS-DLBZAZTESA-N 2 0 335.423 1.270 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(N3CCOC[C@H]3C)CC2)C[C@H](C)O1 ZINC000660589015 453431069 /nfs/dbraw/zinc/43/10/69/453431069.db2.gz DBRFGENLAXCRQO-ZACQAIPSSA-N 2 0 325.497 1.281 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc21 ZINC000662739199 453464874 /nfs/dbraw/zinc/46/48/74/453464874.db2.gz DEUYJQBSAMKJNT-NVXWUHKLSA-N 2 0 330.432 1.505 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664895250 453470291 /nfs/dbraw/zinc/47/02/91/453470291.db2.gz CUGXMXPQMWWJME-HNNXBMFYSA-N 2 0 333.480 1.543 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC(Cc2nc3ccccc3[nH]2)CC1 ZINC000646566506 453476187 /nfs/dbraw/zinc/47/61/87/453476187.db2.gz MBTRGVQDLCVRQH-INIZCTEOSA-N 2 0 328.416 1.332 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000662749032 453477620 /nfs/dbraw/zinc/47/76/20/453477620.db2.gz IPIWDSGNNOIYEX-MRXNPFEDSA-N 2 0 337.508 1.773 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662749921 453482118 /nfs/dbraw/zinc/48/21/18/453482118.db2.gz IKQYPQLUJACAPN-CEXWTWQISA-N 2 0 345.487 1.721 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])c(C)c2)CC1 ZINC000662754552 453489937 /nfs/dbraw/zinc/48/99/37/453489937.db2.gz QOARMWDFXFVUPK-AEFFLSMTSA-N 2 0 346.475 1.439 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662791994 453527340 /nfs/dbraw/zinc/52/73/40/453527340.db2.gz UJXHDUJWJURLSC-CQSZACIVSA-N 2 0 349.479 1.111 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000660704542 453530641 /nfs/dbraw/zinc/53/06/41/453530641.db2.gz VGPCXMWPZLXBLC-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655449927 453536360 /nfs/dbraw/zinc/53/63/60/453536360.db2.gz VROHQHUMEVUCRM-MJGOQNOKSA-N 2 0 328.460 1.552 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000658998806 453573314 /nfs/dbraw/zinc/57/33/14/453573314.db2.gz ARVALEOYZZMZCV-CQSZACIVSA-N 2 0 335.452 1.342 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000662860426 453575243 /nfs/dbraw/zinc/57/52/43/453575243.db2.gz RWLQROLCBPXXFF-QGZVFWFLSA-N 2 0 331.460 1.531 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000662866582 453579566 /nfs/dbraw/zinc/57/95/66/453579566.db2.gz NLNFWRVNLPUGOO-QZTJIDSGSA-N 2 0 348.466 1.025 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000665283225 453634419 /nfs/dbraw/zinc/63/44/19/453634419.db2.gz JKNUOVWPTJJESJ-XUVXKRRUSA-N 2 0 330.520 1.910 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292090 453639258 /nfs/dbraw/zinc/63/92/58/453639258.db2.gz SGHPVHAPSTXGEM-CZUORRHYSA-N 2 0 342.447 1.036 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665414170 453685814 /nfs/dbraw/zinc/68/58/14/453685814.db2.gz HFSGZHXNTXPJIT-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)Cc2ccccc2C1 ZINC000659365363 453729598 /nfs/dbraw/zinc/72/95/98/453729598.db2.gz GWEVUIQYVYINQQ-SFHVURJKSA-N 2 0 337.423 1.782 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000663378073 453784841 /nfs/dbraw/zinc/78/48/41/453784841.db2.gz CTXUEJONRNXOCV-AZUAARDMSA-N 2 0 331.504 1.552 20 0 EDADRP c1nc(N[C@H]2CC[NH+](C3CC3)C2)cnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663449336 453801588 /nfs/dbraw/zinc/80/15/88/453801588.db2.gz VSFGAYGGJAFNIY-OKILXGFUSA-N 2 0 328.464 1.774 20 0 EDADRP COc1cccc(C2([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)CCC2)c1 ZINC000663502178 453811275 /nfs/dbraw/zinc/81/12/75/453811275.db2.gz DHDSBKSIMYGYEG-OAHLLOKOSA-N 2 0 331.460 1.861 20 0 EDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512950 453813645 /nfs/dbraw/zinc/81/36/45/453813645.db2.gz HXGBFEYGABJRSA-HOTGVXAUSA-N 2 0 334.512 1.372 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1NC(=O)[C@H](C)[NH+](C)C ZINC000680000468 486692507 /nfs/dbraw/zinc/69/25/07/486692507.db2.gz JNRXVCBJAPNXRJ-IHRRRGAJSA-N 2 0 334.464 1.703 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415546035 486750383 /nfs/dbraw/zinc/75/03/83/486750383.db2.gz MIDIPJBJHARHKQ-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000676676264 486840711 /nfs/dbraw/zinc/84/07/11/486840711.db2.gz RKSGDSPSXJVDEE-INIZCTEOSA-N 2 0 347.459 1.216 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)C1 ZINC000667615499 486881108 /nfs/dbraw/zinc/88/11/08/486881108.db2.gz RIUGGZNTWFKQPU-GOSISDBHSA-N 2 0 340.475 1.479 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000670392826 486892141 /nfs/dbraw/zinc/89/21/41/486892141.db2.gz JNNNEMGYLSQVKK-ZWKOTPCHSA-N 2 0 337.508 1.964 20 0 EDADRP Cc1c(C[NH+](C)C/C=C\C[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000684106531 486947223 /nfs/dbraw/zinc/94/72/23/486947223.db2.gz SAMQZQHVGXYWFQ-FPLPWBNLSA-N 2 0 330.480 1.890 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802633 486972419 /nfs/dbraw/zinc/97/24/19/486972419.db2.gz XGCBRLHXTOVISP-SUMWQHHRSA-N 2 0 329.448 1.818 20 0 EDADRP C[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC[N@@H+]1CC(C)(C)O ZINC000668031055 487070288 /nfs/dbraw/zinc/07/02/88/487070288.db2.gz KQURHMTXASZUCG-HNNXBMFYSA-N 2 0 329.448 1.544 20 0 EDADRP Cc1cn2ccc(NC(=O)N3CCN(C[C@@H](C)O)C[C@@H]3C)cc2n1 ZINC000668162126 487124871 /nfs/dbraw/zinc/12/48/71/487124871.db2.gz PEZCCHPOBOTUEW-UONOGXRCSA-N 2 0 331.420 1.562 20 0 EDADRP COCC1(N(C)CC(=O)N2CCN(Cc3cccs3)CC2)CC1 ZINC000677728041 487159036 /nfs/dbraw/zinc/15/90/36/487159036.db2.gz ADTHWGIJZQRUGY-UHFFFAOYSA-N 2 0 337.489 1.503 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000674329382 487238754 /nfs/dbraw/zinc/23/87/54/487238754.db2.gz XPUGLNFFMCSVNS-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000675193847 487387672 /nfs/dbraw/zinc/38/76/72/487387672.db2.gz HBMUKDVOLQXGTL-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1N(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCOC1(C)C ZINC000675651978 487432451 /nfs/dbraw/zinc/43/24/51/487432451.db2.gz UMPDFBAISKJJIT-HUUCEWRRSA-N 2 0 338.496 1.364 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cn1 ZINC000682939970 487433314 /nfs/dbraw/zinc/43/33/14/487433314.db2.gz ZDBFLEOMVVHMCW-UHFFFAOYSA-N 2 0 349.523 1.280 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000669521388 485490257 /nfs/dbraw/zinc/49/02/57/485490257.db2.gz FOYYJSMAISFDEC-UHFFFAOYSA-N 2 0 334.464 1.297 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554264 485553593 /nfs/dbraw/zinc/55/35/93/485553593.db2.gz ZTHNNEORHUOVAC-JCURWCKSSA-N 2 0 332.448 1.619 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000670987588 485613679 /nfs/dbraw/zinc/61/36/79/485613679.db2.gz XZIJOCZHSQSUHQ-SJLPKXTDSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000669146744 485736905 /nfs/dbraw/zinc/73/69/05/485736905.db2.gz ZCDJDUNZYYUESW-KGLIPLIRSA-N 2 0 340.512 1.068 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)c1cccc(F)c1 ZINC000668654317 485999664 /nfs/dbraw/zinc/99/96/64/485999664.db2.gz HZPAMVLEVNWUCI-KBRIMQKVSA-N 2 0 334.439 1.822 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CCCCC1 ZINC000635103795 486039687 /nfs/dbraw/zinc/03/96/87/486039687.db2.gz FSHXGVHMTALTGI-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000675196157 486059852 /nfs/dbraw/zinc/05/98/52/486059852.db2.gz ZMHPPHGJXJYPTG-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C2CC2)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502542239 486130879 /nfs/dbraw/zinc/13/08/79/486130879.db2.gz XXZUSXNNAZFTPL-QILLFSRXSA-N 2 0 347.507 1.792 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)[C@H](C)C1 ZINC000669486301 486252897 /nfs/dbraw/zinc/25/28/97/486252897.db2.gz VQJDRGZBFUAUKX-GDBMZVCRSA-N 2 0 326.485 1.175 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C[C@H]([NH3+])Cc1ccccc1 ZINC000669508802 486291594 /nfs/dbraw/zinc/29/15/94/486291594.db2.gz PIRIAWCSNOCNDS-NVXWUHKLSA-N 2 0 327.428 1.771 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000670406688 486451100 /nfs/dbraw/zinc/45/11/00/486451100.db2.gz AHJSCWSKMBBHGN-MOPGFXCFSA-N 2 0 342.487 1.157 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[NH2+]3)c(C(F)(F)F)c2)CC1 ZINC000444266848 491013108 /nfs/dbraw/zinc/01/31/08/491013108.db2.gz JHJSVHVQYYSNQH-CQSZACIVSA-N 2 0 342.365 1.758 20 0 EDADRP C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CN(C)CCO1 ZINC000128720251 491017729 /nfs/dbraw/zinc/01/77/29/491017729.db2.gz YKCZAFZXIHEYGT-JQHSSLGASA-N 2 0 348.491 1.178 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173915714 528964511 /nfs/dbraw/zinc/96/45/11/528964511.db2.gz XPJXVPVUQHFYOV-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCOCCO)CC1 ZINC000181641700 529153511 /nfs/dbraw/zinc/15/35/11/529153511.db2.gz VLSAXUOSFOJXJG-OAHLLOKOSA-N 2 0 339.455 1.627 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000261700054 535043638 /nfs/dbraw/zinc/04/36/38/535043638.db2.gz ORSTZRFWHYBFBH-FRQCXROJSA-N 2 0 335.492 1.606 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000246507701 535123093 /nfs/dbraw/zinc/12/30/93/535123093.db2.gz QHXGKCVQVJVUEK-KBAYOESNSA-N 2 0 333.476 1.796 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262887343 535133506 /nfs/dbraw/zinc/13/35/06/535133506.db2.gz ZRVFUPGICGBLDP-HOTGVXAUSA-N 2 0 333.480 1.515 20 0 EDADRP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000245861799 535170554 /nfs/dbraw/zinc/17/05/54/535170554.db2.gz IUPXORIYAQKFHR-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262655774 535692274 /nfs/dbraw/zinc/69/22/74/535692274.db2.gz UJUDSFBFKLGULG-IEBWSBKVSA-N 2 0 346.519 1.856 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000262048409 535906025 /nfs/dbraw/zinc/90/60/25/535906025.db2.gz ZICKFLPCLXPLPU-AQNXPRMDSA-N 2 0 347.503 1.874 20 0 EDADRP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)[C@H]3CCC[NH2+]3)n2)cc1 ZINC000261710266 535993639 /nfs/dbraw/zinc/99/36/39/535993639.db2.gz IVJIMTUAQPTIPA-CQSZACIVSA-N 2 0 329.404 1.166 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC2CCC(C[NH3+])CC2)cc1 ZINC000345208216 536018936 /nfs/dbraw/zinc/01/89/36/536018936.db2.gz PMGHOLXUUZQOGW-UHFFFAOYSA-N 2 0 339.505 1.792 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3([NH3+])CCCC3)nc2)CC1 ZINC000262662061 536115109 /nfs/dbraw/zinc/11/51/09/536115109.db2.gz YNERULZKCKECPY-UHFFFAOYSA-N 2 0 331.464 1.822 20 0 EDADRP COC[C@@H]([NH3+])C(=O)Nc1cccc(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000262272743 536672210 /nfs/dbraw/zinc/67/22/10/536672210.db2.gz KQJYFQFCMRZLCW-MRXNPFEDSA-N 2 0 348.447 1.413 20 0 EDADRP CN1CC[NH+](CCCCNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727074650 578515249 /nfs/dbraw/zinc/51/52/49/578515249.db2.gz MUHQRSACTOTBFZ-UHFFFAOYSA-N 2 0 343.585 1.066 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000734276088 578804515 /nfs/dbraw/zinc/80/45/15/578804515.db2.gz GTYPCPAZDVGEQS-QGZVFWFLSA-N 2 0 340.512 1.659 20 0 EDADRP CCOCCN1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C[C@@H]1C ZINC000735240817 578871123 /nfs/dbraw/zinc/87/11/23/578871123.db2.gz FGKNWXGRDXVAFT-JKSUJKDBSA-N 2 0 342.553 1.388 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000746313370 579586542 /nfs/dbraw/zinc/58/65/42/579586542.db2.gz FTQJDUSLQZYWPL-PMPSAXMXSA-N 2 0 326.485 1.079 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@]1([NH+](C)C)CCSC1 ZINC000748603437 579694862 /nfs/dbraw/zinc/69/48/62/579694862.db2.gz VVBHLZVGKGRSOT-DZGCQCFKSA-N 2 0 330.567 1.372 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000771804742 580294655 /nfs/dbraw/zinc/29/46/55/580294655.db2.gz QNXDMOQVWIZXKP-LJQANCHMSA-N 2 0 345.487 1.390 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775386978 580389861 /nfs/dbraw/zinc/38/98/61/580389861.db2.gz UZNFWBQBVZZGQA-OWCLPIDISA-N 2 0 329.579 1.983 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000776637868 580425063 /nfs/dbraw/zinc/42/50/63/580425063.db2.gz HDHISAPHJCSIAO-HQWZXOHUSA-N 2 0 343.471 1.993 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000787668235 580701199 /nfs/dbraw/zinc/70/11/99/580701199.db2.gz DVBATGKKJAWREH-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798372812 580995636 /nfs/dbraw/zinc/99/56/36/580995636.db2.gz NZPMBTPYIJRZAK-SFHVURJKSA-N 2 0 334.533 1.924 20 0 EDADRP C[N@H+](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000799027642 581014560 /nfs/dbraw/zinc/01/45/60/581014560.db2.gz QHAVOFTXKRDSAQ-OAHLLOKOSA-N 2 0 325.522 1.758 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000800503734 581054179 /nfs/dbraw/zinc/05/41/79/581054179.db2.gz CVKYOUCGRQVSQU-INIZCTEOSA-N 2 0 338.517 1.964 20 0 EDADRP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000893036865 590630773 /nfs/dbraw/zinc/63/07/73/590630773.db2.gz CISNWVIHSXDBPD-UHFFFAOYSA-N 2 0 346.397 1.713 20 0 EDADRP CN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@H+](C)C1 ZINC000891883490 590669227 /nfs/dbraw/zinc/66/92/27/590669227.db2.gz XOJMYMJNVPVTJT-GOSISDBHSA-N 2 0 330.476 1.780 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000891967622 590714030 /nfs/dbraw/zinc/71/40/30/590714030.db2.gz GPLJTRMXHPFYPP-QGZVFWFLSA-N 2 0 332.448 1.493 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019894 590750609 /nfs/dbraw/zinc/75/06/09/590750609.db2.gz PVCUPVNKHRQKSN-LZQZEXGQSA-N 2 0 342.487 1.779 20 0 EDADRP COCC1(CNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000892112239 590805379 /nfs/dbraw/zinc/80/53/79/590805379.db2.gz ILAWHKNXJUPKPH-QGZVFWFLSA-N 2 0 338.496 1.178 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000890878509 590828412 /nfs/dbraw/zinc/82/84/12/590828412.db2.gz CCASGNIXPNGPHP-DLBZAZTESA-N 2 0 349.523 1.502 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000892157657 590829380 /nfs/dbraw/zinc/82/93/80/590829380.db2.gz UOMPUFLUINJIGA-ZDUSSCGKSA-N 2 0 330.423 1.644 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000892191933 590857530 /nfs/dbraw/zinc/85/75/30/590857530.db2.gz TVYQMLZSUZKBBN-CMPFZWEDSA-N 2 0 334.508 1.924 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CCSC1 ZINC000893417775 590857723 /nfs/dbraw/zinc/85/77/23/590857723.db2.gz SYRMRKNLDWJXGH-MRXNPFEDSA-N 2 0 328.526 1.455 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000892209221 590864870 /nfs/dbraw/zinc/86/48/70/590864870.db2.gz CFTBTICRKCTHMV-INIZCTEOSA-N 2 0 332.448 1.103 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000892227639 590875040 /nfs/dbraw/zinc/87/50/40/590875040.db2.gz XQUFUUDYFQSUNO-UONOGXRCSA-N 2 0 344.381 1.685 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)C1 ZINC000893451084 590879845 /nfs/dbraw/zinc/87/98/45/590879845.db2.gz CMFLSRJZMSHSBR-HZMVEIRTSA-N 2 0 338.496 1.100 20 0 EDADRP c1nc2n(c1C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)CCOC2 ZINC000893469987 590892629 /nfs/dbraw/zinc/89/26/29/590892629.db2.gz FHIRVHWSSOHBAC-UHFFFAOYSA-N 2 0 348.491 1.738 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000893616528 591010765 /nfs/dbraw/zinc/01/07/65/591010765.db2.gz IJGNSPMXDMOBBC-UHFFFAOYSA-N 2 0 337.489 1.658 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000892406899 591014766 /nfs/dbraw/zinc/01/47/66/591014766.db2.gz RKUHEDKVURELKK-BQFCYCMXSA-N 2 0 348.491 1.043 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892429403 591025009 /nfs/dbraw/zinc/02/50/09/591025009.db2.gz SHPXKRLRKFGFPK-JYJNAYRXSA-N 2 0 331.464 1.819 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000892453120 591033266 /nfs/dbraw/zinc/03/32/66/591033266.db2.gz WTWDZUOXRYVMEK-RMXPPQQLSA-N 2 0 344.459 1.717 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891339918 591050471 /nfs/dbraw/zinc/05/04/71/591050471.db2.gz LGUAMXWBNLVDMT-QZTJIDSGSA-N 2 0 343.475 1.582 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000892530590 591060757 /nfs/dbraw/zinc/06/07/57/591060757.db2.gz RVYXFKSFOBHGKH-UYAOXDASSA-N 2 0 342.487 1.964 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)[C@H]1OC ZINC000892532040 591062321 /nfs/dbraw/zinc/06/23/21/591062321.db2.gz HNTBEKVJINHGHM-LZLYRXPVSA-N 2 0 334.464 1.115 20 0 EDADRP CC(=O)OC[C@@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000892553179 591069941 /nfs/dbraw/zinc/06/99/41/591069941.db2.gz JUHUWRTTZPRIFL-VQIMIIECSA-N 2 0 333.476 1.906 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891447515 591074943 /nfs/dbraw/zinc/07/49/43/591074943.db2.gz AKOLNYNFQRPAGR-SQNIBIBYSA-N 2 0 328.460 1.654 20 0 EDADRP C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000891447785 591075164 /nfs/dbraw/zinc/07/51/64/591075164.db2.gz XLLPFMYONRETAK-AWEZNQCLSA-N 2 0 339.443 1.910 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892575391 591078330 /nfs/dbraw/zinc/07/83/30/591078330.db2.gz VFNASOVUWCZRKH-OWCLPIDISA-N 2 0 329.460 1.236 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000891479949 591085926 /nfs/dbraw/zinc/08/59/26/591085926.db2.gz ULDJGCHNKCVOOV-MRXNPFEDSA-N 2 0 338.496 1.176 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)COCCOC)cn2)CC1 ZINC000892597098 591087465 /nfs/dbraw/zinc/08/74/65/591087465.db2.gz UAJPEMWVHVQYEO-INIZCTEOSA-N 2 0 336.480 1.365 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)COCCOC)cn2)CC1 ZINC000892597101 591087718 /nfs/dbraw/zinc/08/77/18/591087718.db2.gz UAJPEMWVHVQYEO-MRXNPFEDSA-N 2 0 336.480 1.365 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891495166 591094118 /nfs/dbraw/zinc/09/41/18/591094118.db2.gz WQRAYFLMEYABPN-LLVKDONJSA-N 2 0 325.482 1.400 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CC1 ZINC000891521947 591105793 /nfs/dbraw/zinc/10/57/93/591105793.db2.gz FRJIFVOYFQSMIC-IAGOWNOFSA-N 2 0 338.496 1.100 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@H](C)C1 ZINC000891563167 591129735 /nfs/dbraw/zinc/12/97/35/591129735.db2.gz ADFSBDUXASQHEH-FPCVCCKLSA-N 2 0 326.485 1.160 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891579642 591134003 /nfs/dbraw/zinc/13/40/03/591134003.db2.gz HSBKNSFIMGUCKU-MRXNPFEDSA-N 2 0 339.528 1.091 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@H]1c1cccs1 ZINC000891597410 591141902 /nfs/dbraw/zinc/14/19/02/591141902.db2.gz OSLKJMUFBRZLFA-YXWQFLTLSA-N 2 0 334.489 1.887 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000891663943 591175983 /nfs/dbraw/zinc/17/59/83/591175983.db2.gz DYLLDZZZRXSQKR-LSDHHAIUSA-N 2 0 340.512 1.421 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000892791094 591177478 /nfs/dbraw/zinc/17/74/78/591177478.db2.gz KFXNXKWVJUUJEV-KRWDZBQOSA-N 2 0 330.476 1.827 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000892790196 591179911 /nfs/dbraw/zinc/17/99/11/591179911.db2.gz ZFQSKEVCXYEDSN-SFHVURJKSA-N 2 0 342.487 1.876 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000891695009 591187462 /nfs/dbraw/zinc/18/74/62/591187462.db2.gz WCYXXAXASIOVOD-BRWVUGGUSA-N 2 0 338.496 1.277 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)CN1CC[NH+](C)CC1 ZINC000892930001 591228866 /nfs/dbraw/zinc/22/88/66/591228866.db2.gz ZCURUBSJIFSXOA-OAGGEKHMSA-N 2 0 329.460 1.093 20 0 EDADRP C[C@H]1CSCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000893021719 591257696 /nfs/dbraw/zinc/25/76/96/591257696.db2.gz GRNRPCPDPCFJLQ-LSDHHAIUSA-N 2 0 340.537 1.692 20 0 EDADRP COc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc1N[C@H]1CC[NH+](C)[C@H]1C ZINC000895740195 591262344 /nfs/dbraw/zinc/26/23/44/591262344.db2.gz MFSQHTQRRZWEPR-RFQIPJPRSA-N 2 0 334.468 1.494 20 0 EDADRP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)nc2ccccc21 ZINC000895768298 591269184 /nfs/dbraw/zinc/26/91/84/591269184.db2.gz BPQUVEYWQCNECU-KBPBESRZSA-N 2 0 326.448 1.862 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2COCC2(C)C)CC1 ZINC000894319890 591277069 /nfs/dbraw/zinc/27/70/69/591277069.db2.gz GQMNSJPIFFKVOL-OAHLLOKOSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(NCc1ccc(-n2ccnc2)cc1)C1C[NH+](C2CCOCC2)C1 ZINC000895910886 591302319 /nfs/dbraw/zinc/30/23/19/591302319.db2.gz UPRBKCMUSKUZCS-UHFFFAOYSA-N 2 0 340.427 1.599 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)NCCN2Cc3ccccc3C2)[nH]n1 ZINC000895952088 591311603 /nfs/dbraw/zinc/31/16/03/591311603.db2.gz VHPIISWUCTZIPU-GOSISDBHSA-N 2 0 339.443 1.922 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000894447893 591314292 /nfs/dbraw/zinc/31/42/92/591314292.db2.gz ISYOHVGWWWINBC-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP COc1nccc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1F ZINC000894475540 591322279 /nfs/dbraw/zinc/32/22/79/591322279.db2.gz YHJXAMJUSATHSH-SJPCQFCGSA-N 2 0 348.466 1.972 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000896138833 591359310 /nfs/dbraw/zinc/35/93/10/591359310.db2.gz UNJMIFWJBUNJMX-XJKSGUPXSA-N 2 0 335.452 1.017 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000896137568 591359835 /nfs/dbraw/zinc/35/98/35/591359835.db2.gz GLUPPOOXNYGYKF-GUDVDZBRSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@]23CC(=O)N[C@H]2CCCC3)cc1 ZINC000898467438 591366705 /nfs/dbraw/zinc/36/67/05/591366705.db2.gz LUPNFAGPMOJIDS-PKOBYXMFSA-N 2 0 331.460 1.918 20 0 EDADRP Cc1[nH+]c2cc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C(CO)CO ZINC000894919396 591474953 /nfs/dbraw/zinc/47/49/53/591474953.db2.gz PPTSJUFCCZLJGE-SWLSCSKDSA-N 2 0 332.448 1.765 20 0 EDADRP CO[C@H](C[NH2+][C@H]1CCc2ncc(Br)n2C1)[C@H]1CCOC1 ZINC000898720915 591484079 /nfs/dbraw/zinc/48/40/79/591484079.db2.gz OHRRJUNVAKXTFH-SDDRHHMPSA-N 2 0 344.253 1.602 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)o1 ZINC000896570308 591530982 /nfs/dbraw/zinc/53/09/82/591530982.db2.gz YNMURTKFWWKCMR-GOEBONIOSA-N 2 0 336.480 1.486 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000897548065 591547077 /nfs/dbraw/zinc/54/70/77/591547077.db2.gz RVFXFIWZVWNEHH-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000897825199 591684212 /nfs/dbraw/zinc/68/42/12/591684212.db2.gz FWQLFYKDYRSOBP-SZMVWBNQSA-N 2 0 331.460 1.897 20 0 EDADRP C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000898120939 591788835 /nfs/dbraw/zinc/78/88/35/591788835.db2.gz DLKZTRFMBNXKNX-OWCLPIDISA-N 2 0 337.508 1.601 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C12CC[NH+](CC1)C2 ZINC000899961996 591840791 /nfs/dbraw/zinc/84/07/91/591840791.db2.gz FUBZJKPCWDDHJL-UHFFFAOYSA-N 2 0 328.460 1.781 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000145485121 591897424 /nfs/dbraw/zinc/89/74/24/591897424.db2.gz ODJONJPVALAVOF-AWEZNQCLSA-N 2 0 340.562 1.986 20 0 EDADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CNCCOC4)C[C@@H]3C2)cc1 ZINC000902516462 592009172 /nfs/dbraw/zinc/00/91/72/592009172.db2.gz DWNFABDUJZHEIN-MTQWCTHYSA-N 2 0 329.488 1.865 20 0 EDADRP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1 ZINC000902518502 592009939 /nfs/dbraw/zinc/00/99/39/592009939.db2.gz LYTIMUOHFZENOF-IJLUTSLNSA-N 2 0 339.871 1.910 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000900411917 592011083 /nfs/dbraw/zinc/01/10/83/592011083.db2.gz AKDKOTSIEVTMFY-PKOBYXMFSA-N 2 0 337.508 1.602 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C[C@@]2(O)CCC[N@@H+](C)C2)[NH+]2CCCC2)o1 ZINC000900491744 592032921 /nfs/dbraw/zinc/03/29/21/592032921.db2.gz LQMARGHPDFCPLB-LPHOPBHVSA-N 2 0 349.475 1.688 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000900599172 592064902 /nfs/dbraw/zinc/06/49/02/592064902.db2.gz QHFSTOPYYGFXKH-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cnccc1Nc1ccccc1 ZINC000900659426 592083592 /nfs/dbraw/zinc/08/35/92/592083592.db2.gz NDBRSGYNSKAWNM-MRXNPFEDSA-N 2 0 339.443 1.223 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC000900673418 592090521 /nfs/dbraw/zinc/09/05/21/592090521.db2.gz FWQACDIBFHCBRI-JQHSSLGASA-N 2 0 334.508 1.288 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCO[C@]23CCOC3)cc1 ZINC000903090897 592118541 /nfs/dbraw/zinc/11/85/41/592118541.db2.gz IWHXHLAUMQVOAE-MOPGFXCFSA-N 2 0 334.460 1.707 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130592 592125262 /nfs/dbraw/zinc/12/52/62/592125262.db2.gz LATQNWNPMWUVOD-SJXGUFTOSA-N 2 0 333.480 1.694 20 0 EDADRP C[C@@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000903188477 592135513 /nfs/dbraw/zinc/13/55/13/592135513.db2.gz DVHKQYSFDMPISV-CQSZACIVSA-N 2 0 345.553 1.947 20 0 EDADRP C[C@H](CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000900922993 592163988 /nfs/dbraw/zinc/16/39/88/592163988.db2.gz RBZQAAFFNMPOPI-SZVBFZGTSA-N 2 0 333.476 1.468 20 0 EDADRP CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426849 592167960 /nfs/dbraw/zinc/16/79/60/592167960.db2.gz PVJKQPJMUJGYOK-KGLIPLIRSA-N 2 0 333.432 1.574 20 0 EDADRP Cc1cn2c(nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2=O)s1 ZINC000903453789 592173541 /nfs/dbraw/zinc/17/35/41/592173541.db2.gz LNMOSYGRKHPATM-ZBFHGGJFSA-N 2 0 348.472 1.393 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903500197 592180019 /nfs/dbraw/zinc/18/00/19/592180019.db2.gz VITAQQCJRPDPIW-JKIFEVAISA-N 2 0 347.459 1.395 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCc1ccccc1OC)C2 ZINC000903492431 592184853 /nfs/dbraw/zinc/18/48/53/592184853.db2.gz CTVJRMWTTRUGBB-FCEWJHQRSA-N 2 0 332.444 1.840 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510107 592190750 /nfs/dbraw/zinc/19/07/50/592190750.db2.gz ORXIVOSMACLCOO-JCGIZDLHSA-N 2 0 336.524 1.580 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)N1CCCCCC1 ZINC000903513181 592191626 /nfs/dbraw/zinc/19/16/26/592191626.db2.gz WIWYYDZLMQBDTN-HDICACEKSA-N 2 0 334.508 1.290 20 0 EDADRP O=C1CC[C@@H]([NH2+]C[C@H]2CCC3(CCC3)CO2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526229 592198472 /nfs/dbraw/zinc/19/84/72/592198472.db2.gz CVZJUAJEBOCPLJ-NUJGCVRESA-N 2 0 335.492 1.572 20 0 EDADRP COCc1noc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903507096 592198920 /nfs/dbraw/zinc/19/89/20/592198920.db2.gz MWARZMIFGONRPL-YUELXQCFSA-N 2 0 335.452 1.178 20 0 EDADRP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904336206 592233459 /nfs/dbraw/zinc/23/34/59/592233459.db2.gz DXEUTUCFNBGDGY-FMKPAKJESA-N 2 0 334.439 1.508 20 0 EDADRP CC(C)N(C)c1cnn([C@H]2CCC[N@H+](C[C@H]3C[C@@H]([NH3+])C3)C2)c(=O)c1 ZINC000904347792 592235905 /nfs/dbraw/zinc/23/59/05/592235905.db2.gz KHUDCPULXBBGBG-XHSDSOJGSA-N 2 0 333.480 1.462 20 0 EDADRP [NH3+]CCN1CCC([NH2+]Cc2cc(F)ccc2N2CCOCC2)CC1 ZINC000904359565 592237522 /nfs/dbraw/zinc/23/75/22/592237522.db2.gz BRBSKXYXCWKJGZ-UHFFFAOYSA-N 2 0 336.455 1.175 20 0 EDADRP [NH3+]CCN1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000904359560 592237734 /nfs/dbraw/zinc/23/77/34/592237734.db2.gz BHFWFKAIQYGAPB-UHFFFAOYSA-N 3 0 330.520 1.911 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901126794 592242810 /nfs/dbraw/zinc/24/28/10/592242810.db2.gz KOLAUFNPBPBPFZ-IBGZPJMESA-N 2 0 349.475 1.129 20 0 EDADRP O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129819 592244140 /nfs/dbraw/zinc/24/41/40/592244140.db2.gz GLJAEAXMLHKJCX-MSOLQXFVSA-N 2 0 343.471 1.081 20 0 EDADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129822 592244180 /nfs/dbraw/zinc/24/41/80/592244180.db2.gz GLJAEAXMLHKJCX-ZWKOTPCHSA-N 2 0 343.471 1.081 20 0 EDADRP COc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc(OC)c1O ZINC000904393278 592244348 /nfs/dbraw/zinc/24/43/48/592244348.db2.gz PDBKWQBUGGEHRJ-AWEZNQCLSA-N 2 0 336.432 1.739 20 0 EDADRP C[C@@H]1CN(C[C@@H]([NH3+])CCC(C)(C)C)C[C@H]1C(=O)N1CCOCC1 ZINC000904377194 592245533 /nfs/dbraw/zinc/24/55/33/592245533.db2.gz KSIXOLVNRVYCME-OWCLPIDISA-N 2 0 325.497 1.567 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904379764 592246376 /nfs/dbraw/zinc/24/63/76/592246376.db2.gz WHBAXEGROGJMSR-HNNXBMFYSA-N 3 0 326.529 1.720 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664591 592246958 /nfs/dbraw/zinc/24/69/58/592246958.db2.gz MFGDCUISEGFXES-CZUORRHYSA-N 2 0 344.459 1.514 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906658837 592269055 /nfs/dbraw/zinc/26/90/55/592269055.db2.gz RZDZRXGIXDOAQQ-INIZCTEOSA-N 2 0 344.459 1.274 20 0 EDADRP CN(C)c1ncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000904477033 592269516 /nfs/dbraw/zinc/26/95/16/592269516.db2.gz WRSUPFWVBAOAKL-APWZRJJASA-N 2 0 339.443 1.888 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661232 592269589 /nfs/dbraw/zinc/26/95/89/592269589.db2.gz QFIYTYNYDRJWJP-MRXNPFEDSA-N 2 0 336.524 1.536 20 0 EDADRP CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H](C)CS(=O)(=O)CC ZINC000903730801 592287143 /nfs/dbraw/zinc/28/71/43/592287143.db2.gz ZJRXDCFVKWJQNK-HUUCEWRRSA-N 2 0 332.510 1.290 20 0 EDADRP CN1CCN(c2ccc(-c3noc(C45CCC(CC4)[NH2+]5)n3)cn2)CC1 ZINC000904656752 592297294 /nfs/dbraw/zinc/29/72/94/592297294.db2.gz AWSQLCSBFHOTAZ-UHFFFAOYSA-N 2 0 340.431 1.625 20 0 EDADRP C[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000903735247 592299125 /nfs/dbraw/zinc/29/91/25/592299125.db2.gz YVIGITOTZZQZJA-BJLQDIEVSA-N 2 0 343.471 1.882 20 0 EDADRP [NH3+]Cc1ccc2nc(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cn2c1 ZINC000904636212 592299551 /nfs/dbraw/zinc/29/95/51/592299551.db2.gz BAYCNGHRODSXRO-GXTWGEPZSA-N 2 0 340.387 1.379 20 0 EDADRP c1cc2c(cc1-c1nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638661 592300938 /nfs/dbraw/zinc/30/09/38/592300938.db2.gz QOAZWQAVZNBVKW-ZBFHGGJFSA-N 2 0 342.399 1.754 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000904640340 592301818 /nfs/dbraw/zinc/30/18/18/592301818.db2.gz OMDQUBWSBHEJBQ-UHFFFAOYSA-N 2 0 325.416 1.890 20 0 EDADRP Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741692 592303243 /nfs/dbraw/zinc/30/32/43/592303243.db2.gz RLYIZXSELULUJT-JKSUJKDBSA-N 2 0 349.479 1.043 20 0 EDADRP COCC(COC)[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000903767638 592310173 /nfs/dbraw/zinc/31/01/73/592310173.db2.gz YNSIZZVKOVSXQD-UHFFFAOYSA-N 2 0 336.480 1.718 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000908115134 592328123 /nfs/dbraw/zinc/32/81/23/592328123.db2.gz MMPGPKMQOONUTD-XLAORIBOSA-N 2 0 335.492 1.715 20 0 EDADRP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888577 592351791 /nfs/dbraw/zinc/35/17/91/592351791.db2.gz GLYRZQOIXRYYLC-DLBZAZTESA-N 2 0 349.523 1.474 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](C[C@@H](C)O)[C@H](CC)C2)C1 ZINC000906827029 592355079 /nfs/dbraw/zinc/35/50/79/592355079.db2.gz PODXUHRYECUKSG-IXDOHACOSA-N 2 0 325.497 1.412 20 0 EDADRP CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903898735 592369303 /nfs/dbraw/zinc/36/93/03/592369303.db2.gz OETCBUBLKZYBRY-JKSUJKDBSA-N 2 0 349.479 1.758 20 0 EDADRP C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)c2cc(F)ccc2C[NH2+]1 ZINC000903918490 592376438 /nfs/dbraw/zinc/37/64/38/592376438.db2.gz AKULUHIURSWMRZ-XJKSGUPXSA-N 2 0 344.438 1.840 20 0 EDADRP Clc1cccnc1OCC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903921058 592377826 /nfs/dbraw/zinc/37/78/26/592377826.db2.gz MLLONUKYGAGOJZ-LBPRGKRZSA-N 2 0 336.827 1.420 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](N3CCCC3=O)CC2)cnn1C ZINC000903929231 592382856 /nfs/dbraw/zinc/38/28/56/592382856.db2.gz CKTVRSQQCIRRKA-FUHWJXTLSA-N 2 0 347.507 1.323 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)CC2(O)CCCC2)c1 ZINC000905088138 592393180 /nfs/dbraw/zinc/39/31/80/592393180.db2.gz HKOCVHNNWWSFLS-QGZVFWFLSA-N 2 0 336.476 1.773 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nccc3ccccc31)C2 ZINC000903978222 592399436 /nfs/dbraw/zinc/39/94/36/592399436.db2.gz AVKFJCSXPFQZLH-KHYOSLBOSA-N 2 0 325.412 1.947 20 0 EDADRP CCOc1cc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)ccc1OC ZINC000903979254 592400700 /nfs/dbraw/zinc/40/07/00/592400700.db2.gz ZNOCZNLMOTUZCA-KHYOSLBOSA-N 2 0 348.443 1.806 20 0 EDADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c(OC)c1 ZINC000903967710 592402999 /nfs/dbraw/zinc/40/29/99/592402999.db2.gz LLXAIZXNWALSSN-MCIONIFRSA-N 2 0 335.448 1.866 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905156520 592424270 /nfs/dbraw/zinc/42/42/70/592424270.db2.gz ZTWPMDBYSKPICJ-INIZCTEOSA-N 2 0 335.439 1.219 20 0 EDADRP CC[C@](O)(C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C(F)(F)F ZINC000905187296 592444621 /nfs/dbraw/zinc/44/46/21/592444621.db2.gz BKCLTPQDGQUSME-AWEZNQCLSA-N 2 0 335.370 1.815 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229305 592458820 /nfs/dbraw/zinc/45/88/20/592458820.db2.gz AMFGSLYVRYADGC-IRXDYDNUSA-N 2 0 328.497 1.523 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1-c1nc(CC2CC[NH2+]CC2)no1 ZINC000905308377 592499994 /nfs/dbraw/zinc/49/99/94/592499994.db2.gz IQXDYJKTOHWDGZ-CQSZACIVSA-N 2 0 330.436 1.708 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]C[C@H](O)CN1CCc2ccccc2C1 ZINC000905345196 592500849 /nfs/dbraw/zinc/50/08/49/592500849.db2.gz MDNBLIZGUOOIFL-MOPGFXCFSA-N 2 0 348.487 1.051 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)CCCO)CC2)C1 ZINC000907143897 592529613 /nfs/dbraw/zinc/52/96/13/592529613.db2.gz JSQGJRNYASNPOE-INIZCTEOSA-N 2 0 325.497 1.414 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC2(CCC2)CO1)CN1CCc2ccccc2C1 ZINC000905471970 592544763 /nfs/dbraw/zinc/54/47/63/592544763.db2.gz FEWQFBJTIJDAPO-MOPGFXCFSA-N 2 0 330.472 1.954 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000905666912 592601498 /nfs/dbraw/zinc/60/14/98/592601498.db2.gz BXDLVJUEFZNOEN-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1nc2[nH]ccc2c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905700456 592613918 /nfs/dbraw/zinc/61/39/18/592613918.db2.gz LCCDNZOKJRXDRB-GASCZTMLSA-N 2 0 326.448 1.671 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000909915322 592711613 /nfs/dbraw/zinc/71/16/13/592711613.db2.gz VBQUCFROKQGVPH-AOCRQIFASA-N 2 0 337.508 1.726 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268878 592815108 /nfs/dbraw/zinc/81/51/08/592815108.db2.gz YXJQVVJBQVBJAG-JQHSSLGASA-N 2 0 347.507 1.398 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000907880709 592827592 /nfs/dbraw/zinc/82/75/92/592827592.db2.gz BVLHERJCJHMSNH-UHFFFAOYSA-N 2 0 339.443 1.679 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000907952526 592854937 /nfs/dbraw/zinc/85/49/37/592854937.db2.gz FTAQQWBWBSRMHK-PKOBYXMFSA-N 2 0 337.508 1.747 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=S)NCCC[NH+](C)C)[C@H](C)C1 ZINC000734386752 592961798 /nfs/dbraw/zinc/96/17/98/592961798.db2.gz UXCTXGLXJNEJFT-HZPDHXFCSA-N 2 0 344.569 1.539 20 0 EDADRP [NH3+]CCCn1ccc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)n1 ZINC000911637355 592962445 /nfs/dbraw/zinc/96/24/45/592962445.db2.gz UQVPROKLXDQSPD-UHFFFAOYSA-N 2 0 341.459 1.580 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)cc1 ZINC000911737601 592993271 /nfs/dbraw/zinc/99/32/71/592993271.db2.gz WNOZKPHXQCPCKP-FGTMMUONSA-N 2 0 331.460 1.351 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774421 593002617 /nfs/dbraw/zinc/00/26/17/593002617.db2.gz HWQYFDALIVQSIQ-HKUYNNGSSA-N 2 0 344.503 1.118 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(CCO)C2CC[NH+](C)CC2)o1 ZINC000911936123 593039262 /nfs/dbraw/zinc/03/92/62/593039262.db2.gz DQIGCEHRZBJIJD-UHFFFAOYSA-N 2 0 337.464 1.650 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809615302 593350198 /nfs/dbraw/zinc/35/01/98/593350198.db2.gz ADXJCYLGVBSAFT-UONOGXRCSA-N 2 0 326.510 1.560 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000809756543 593357930 /nfs/dbraw/zinc/35/79/30/593357930.db2.gz SGEOJHVETVYPSM-KRWDZBQOSA-N 2 0 331.460 1.714 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839689801 593363912 /nfs/dbraw/zinc/36/39/12/593363912.db2.gz TZCSWQDJYZXALC-HOTGVXAUSA-N 2 0 327.538 1.906 20 0 EDADRP C[C@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)[C@H]1C ZINC000840027457 593390896 /nfs/dbraw/zinc/39/08/96/593390896.db2.gz WECMPKRWYCRBDQ-UOVPBQLFSA-N 2 0 341.455 1.791 20 0 EDADRP COc1cc2[nH+]ccc(NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c2cc1OC ZINC000840252473 593500249 /nfs/dbraw/zinc/50/02/49/593500249.db2.gz WCLJHHCRWCZCSC-KBPBESRZSA-N 2 0 343.427 1.949 20 0 EDADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000813325834 593526590 /nfs/dbraw/zinc/52/65/90/593526590.db2.gz LPNGQBUWCLOSFA-CRAIPNDOSA-N 2 0 345.487 1.790 20 0 EDADRP O[C@H](C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)C[NH+]1CCCC1 ZINC000815151493 593618213 /nfs/dbraw/zinc/61/82/13/593618213.db2.gz GOHSDBUJZWQIQF-GOSISDBHSA-N 2 0 336.451 1.964 20 0 EDADRP CCn1nc(C)c(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000815206942 593620525 /nfs/dbraw/zinc/62/05/25/593620525.db2.gz RKKIRWUQICSKBT-OAHLLOKOSA-N 2 0 336.484 1.095 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817890375 593645665 /nfs/dbraw/zinc/64/56/65/593645665.db2.gz SPDOBUROZMTSRW-RYUDHWBXSA-N 2 0 343.415 1.265 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817891123 593645811 /nfs/dbraw/zinc/64/58/11/593645811.db2.gz GOKJYKSMLALMQP-NXEZZACHSA-N 2 0 331.404 1.263 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)CC[NH2+]CC1 ZINC000817914018 593648063 /nfs/dbraw/zinc/64/80/63/593648063.db2.gz SUMXUGVIBAUAOR-XJKSGUPXSA-N 2 0 340.489 1.867 20 0 EDADRP COC(OC)c1ccc(F)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1 ZINC000818186126 593679289 /nfs/dbraw/zinc/67/92/89/593679289.db2.gz FWFOBCDZJNNOJW-AWEZNQCLSA-N 2 0 339.455 1.843 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000819059427 593736526 /nfs/dbraw/zinc/73/65/26/593736526.db2.gz YRSZEVHWORPHGU-DYVFJYSZSA-N 2 0 343.874 1.986 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819388326 593753159 /nfs/dbraw/zinc/75/31/59/593753159.db2.gz FLYOTJACTFQDSP-KRWDZBQOSA-N 2 0 325.884 1.989 20 0 EDADRP CCS(=O)(=O)CCNc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000819411493 593753683 /nfs/dbraw/zinc/75/36/83/593753683.db2.gz OOZNXVNTSJBUCO-UHFFFAOYSA-N 2 0 325.478 1.675 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000820068497 593788136 /nfs/dbraw/zinc/78/81/36/593788136.db2.gz MMCPVKTZHPLGOG-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000821803016 593943285 /nfs/dbraw/zinc/94/32/85/593943285.db2.gz AQCGUXYHWRVOIY-KBPBESRZSA-N 2 0 330.436 1.838 20 0 EDADRP O=C(c1ccc(C[NH+]2CCCCC2)o1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000824297882 593979617 /nfs/dbraw/zinc/97/96/17/593979617.db2.gz JKMRSPZZMVJXFS-LSDHHAIUSA-N 2 0 333.432 1.157 20 0 EDADRP CN(C)C(=O)O[C@H]1CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000824576219 594041235 /nfs/dbraw/zinc/04/12/35/594041235.db2.gz DJDGQVMLVZXJAR-KRWDZBQOSA-N 2 0 335.448 1.900 20 0 EDADRP COC[C@@]1(c2nc(-c3ccc(OCC[NH+](C)C)cc3)no2)CC[NH2+]C1 ZINC000822723198 594091906 /nfs/dbraw/zinc/09/19/06/594091906.db2.gz TVPLQPCTYXXMRL-GOSISDBHSA-N 2 0 346.431 1.555 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000825576468 594202646 /nfs/dbraw/zinc/20/26/46/594202646.db2.gz HXPGAZMNWFSJCW-CZUORRHYSA-N 2 0 332.452 1.874 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC000825850185 594261495 /nfs/dbraw/zinc/26/14/95/594261495.db2.gz OJDUACJWZNCPOG-HYVNUMGLSA-N 2 0 342.447 1.550 20 0 EDADRP COc1ccc(CN2CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000827220529 594654030 /nfs/dbraw/zinc/65/40/30/594654030.db2.gz SMDUPDQRESUNQX-QXAKKESOSA-N 2 0 343.471 1.822 20 0 EDADRP CCO[C@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000831730454 594697044 /nfs/dbraw/zinc/69/70/44/594697044.db2.gz CQDDWYHDUVSIDZ-GOSISDBHSA-N 2 0 333.476 1.518 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CCN(C[C@@H]3CCCO3)CC2)c1 ZINC000841286659 594881604 /nfs/dbraw/zinc/88/16/04/594881604.db2.gz GYHBTSAFSFHHRO-KRWDZBQOSA-N 2 0 348.447 1.353 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)C2CCC([NH3+])CC2)C1 ZINC000841648447 594930769 /nfs/dbraw/zinc/93/07/69/594930769.db2.gz JOZAPVKZLFHSCM-GPANFISMSA-N 2 0 326.485 1.255 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841791475 594953913 /nfs/dbraw/zinc/95/39/13/594953913.db2.gz XVECNOCLCWUYMI-ZWKOTPCHSA-N 2 0 346.475 1.410 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c(Cl)nc2ccccn21 ZINC000104533549 594968572 /nfs/dbraw/zinc/96/85/72/594968572.db2.gz SWPAMHVDIHAVSB-UHFFFAOYSA-N 2 0 337.855 1.553 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)cc1 ZINC000842015388 595003080 /nfs/dbraw/zinc/00/30/80/595003080.db2.gz KJVSNTLMPWNXPU-HUUCEWRRSA-N 2 0 346.475 1.313 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])[C@@H]1c1ccccc1 ZINC000843258729 595055119 /nfs/dbraw/zinc/05/51/19/595055119.db2.gz FBONCBOXKWSEKY-IRXDYDNUSA-N 2 0 346.475 1.183 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000843348965 595083173 /nfs/dbraw/zinc/08/31/73/595083173.db2.gz AOFZWFIYHVMDTO-NSHDSACASA-N 2 0 331.420 1.527 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000843456236 595117136 /nfs/dbraw/zinc/11/71/36/595117136.db2.gz FSORCZSODRKFAW-LJQANCHMSA-N 2 0 339.443 1.677 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2CCCO[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000842509758 595123325 /nfs/dbraw/zinc/12/33/25/595123325.db2.gz LVLJSEVTNGRPAU-CHWSQXEVSA-N 2 0 326.828 1.010 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000837766156 595190703 /nfs/dbraw/zinc/19/07/03/595190703.db2.gz AENMJALMTCPFKJ-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP CCOc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)ccc1OC(=O)CC ZINC000843053279 595275611 /nfs/dbraw/zinc/27/56/11/595275611.db2.gz SOMLGPHGLMIJLU-UHFFFAOYSA-N 2 0 349.475 1.738 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000844169622 595289741 /nfs/dbraw/zinc/28/97/41/595289741.db2.gz MKFZWTVCNKAESV-SFHVURJKSA-N 2 0 331.460 1.667 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000844170068 595290127 /nfs/dbraw/zinc/29/01/27/595290127.db2.gz GCZRPPJLMSTZHE-RTBURBONSA-N 2 0 343.471 1.461 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3CC34CC[NH2+]CC4)n2)ccn1 ZINC000843191054 595302068 /nfs/dbraw/zinc/30/20/68/595302068.db2.gz AYNHCPSLEQXGNR-AWEZNQCLSA-N 2 0 343.431 1.929 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000846698158 595303742 /nfs/dbraw/zinc/30/37/42/595303742.db2.gz CJPPZMDEONQWJB-KBAYOESNSA-N 2 0 335.492 1.748 20 0 EDADRP CN(C(=O)[C@H]1C[C@@]12CCC[NH2+]C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000848414181 595375586 /nfs/dbraw/zinc/37/55/86/595375586.db2.gz MDQUAQITAUKHMC-IEBWSBKVSA-N 2 0 331.460 1.980 20 0 EDADRP Cc1nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000848754559 595441019 /nfs/dbraw/zinc/44/10/19/595441019.db2.gz VOSUQYIUTXBRLA-RUPPMWDTSA-N 2 0 347.511 1.684 20 0 EDADRP CC[C@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849053297 595475765 /nfs/dbraw/zinc/47/57/65/595475765.db2.gz VUPBGBVBXVFQBE-HNNXBMFYSA-N 2 0 333.484 1.291 20 0 EDADRP C[C@@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCC(=O)N1 ZINC000849116197 595484620 /nfs/dbraw/zinc/48/46/20/595484620.db2.gz LFBBWOMYBGGDIS-IBGZPJMESA-N 2 0 343.475 1.434 20 0 EDADRP CCC[NH+]1CCN(C(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849521578 595558005 /nfs/dbraw/zinc/55/80/05/595558005.db2.gz SYYGBBPUIDNEOL-DLBZAZTESA-N 2 0 333.480 1.010 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000849552414 595563705 /nfs/dbraw/zinc/56/37/05/595563705.db2.gz FVGFLHOHKUWSGF-IKGGRYGDSA-N 2 0 333.480 1.008 20 0 EDADRP [NH3+]Cc1cccc(C(=O)NCC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000852843892 595570990 /nfs/dbraw/zinc/57/09/90/595570990.db2.gz JEPKRUTYMMCBPS-UHFFFAOYSA-N 2 0 331.460 1.766 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000852857647 595578906 /nfs/dbraw/zinc/57/89/06/595578906.db2.gz AFGMWBQCLWVKJC-HNNXBMFYSA-N 2 0 349.500 1.767 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849583362 595581804 /nfs/dbraw/zinc/58/18/04/595581804.db2.gz SVCZKXQGOADOEO-ROUUACIJSA-N 2 0 349.523 1.646 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879618 595594795 /nfs/dbraw/zinc/59/47/95/595594795.db2.gz GBLQZFBDEYEPQD-ZFWWWQNUSA-N 2 0 327.350 1.532 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853110217 595667241 /nfs/dbraw/zinc/66/72/41/595667241.db2.gz XDGZQWSHJVCEDV-ICSRJNTNSA-N 2 0 341.455 1.862 20 0 EDADRP COc1cncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000850357465 595816614 /nfs/dbraw/zinc/81/66/14/595816614.db2.gz KMCBVJYAOHQZNG-SFHVURJKSA-N 2 0 327.428 1.947 20 0 EDADRP CCN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000853741866 595869245 /nfs/dbraw/zinc/86/92/45/595869245.db2.gz QUJOYURBLHBHJJ-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000851780813 595920906 /nfs/dbraw/zinc/92/09/06/595920906.db2.gz KQYPCNWHLOEKFO-CABCVRRESA-N 2 0 334.397 1.989 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)C1 ZINC000851795515 595926812 /nfs/dbraw/zinc/92/68/12/595926812.db2.gz DGWBIOFJKHHVDN-QFBILLFUSA-N 2 0 331.460 1.023 20 0 EDADRP COC(=O)Cn1cc(CC[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)nn1 ZINC000859212538 596005403 /nfs/dbraw/zinc/00/54/03/596005403.db2.gz PGKAKYJQRJOSAH-UHFFFAOYSA-N 2 0 345.447 1.187 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000854232405 596009870 /nfs/dbraw/zinc/00/98/70/596009870.db2.gz OMWWTOAMYGLIRV-VHSXEESVSA-N 2 0 344.362 1.098 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN3CCOCC3)C2)ccn1 ZINC000856591553 596024454 /nfs/dbraw/zinc/02/44/54/596024454.db2.gz NSQPJWLLMKTIHH-IBGZPJMESA-N 2 0 348.491 1.319 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000861555802 596029327 /nfs/dbraw/zinc/02/93/27/596029327.db2.gz VHUFCGZMCHPQPE-INIZCTEOSA-N 2 0 333.480 1.187 20 0 EDADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866665254 596284146 /nfs/dbraw/zinc/28/41/46/596284146.db2.gz AQDXQVZVRSPJMW-RBUKOAKNSA-N 2 0 344.503 1.716 20 0 EDADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870936262 596412239 /nfs/dbraw/zinc/41/22/39/596412239.db2.gz FJEZTEKGPLPNOE-ZDUSSCGKSA-N 2 0 326.238 1.659 20 0 EDADRP C[C@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000870980951 596428408 /nfs/dbraw/zinc/42/84/08/596428408.db2.gz ALQHAJMZHMRRQY-QFBILLFUSA-N 2 0 344.503 1.561 20 0 EDADRP Cc1c(C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000870991755 596431723 /nfs/dbraw/zinc/43/17/23/596431723.db2.gz HDTHXMOHQQOHIV-SFHVURJKSA-N 2 0 348.495 1.348 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000871280241 596519767 /nfs/dbraw/zinc/51/97/67/596519767.db2.gz FFHLFQSOZHGERG-ZWKOTPCHSA-N 2 0 331.460 1.264 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccnc1Br ZINC000865531002 596602263 /nfs/dbraw/zinc/60/22/63/596602263.db2.gz KWPLVOREGPMMOU-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000863550153 596615621 /nfs/dbraw/zinc/61/56/21/596615621.db2.gz ZNPVQLWXQIUPBX-ZWKOTPCHSA-N 2 0 345.443 1.713 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000869777688 596629108 /nfs/dbraw/zinc/62/91/08/596629108.db2.gz MGYJIFMMZLICBL-MSOLQXFVSA-N 2 0 345.487 1.470 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000868096841 596684578 /nfs/dbraw/zinc/68/45/78/596684578.db2.gz XVKLKUCVDUFYSC-HUUCEWRRSA-N 2 0 331.464 1.782 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865817918 596696074 /nfs/dbraw/zinc/69/60/74/596696074.db2.gz IYWPRKDJHDLSTE-HZPDHXFCSA-N 2 0 337.489 1.354 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2[nH]cnc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870017018 596708971 /nfs/dbraw/zinc/70/89/71/596708971.db2.gz FNZMKLJSZYYUCI-GHMZBOCLSA-N 2 0 347.385 1.240 20 0 EDADRP CO[C@@H]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017571 596709471 /nfs/dbraw/zinc/70/94/71/596709471.db2.gz PWKITQFJALLYPK-WCXIOVBPSA-N 2 0 325.497 1.389 20 0 EDADRP CCc1csc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870019167 596710707 /nfs/dbraw/zinc/71/07/07/596710707.db2.gz SBQDKDLWNVFSLY-ZIAGYGMSSA-N 2 0 338.521 1.446 20 0 EDADRP COCCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000870020039 596711257 /nfs/dbraw/zinc/71/12/57/596711257.db2.gz AAFZMVVMQWABRJ-HZPDHXFCSA-N 2 0 325.497 1.391 20 0 EDADRP COC1CC[NH+](CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868183670 596713834 /nfs/dbraw/zinc/71/38/34/596713834.db2.gz PGXXZFTZDHYNFH-DLBZAZTESA-N 2 0 332.448 1.734 20 0 EDADRP CN(CCCCCC[NH3+])S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000871824261 596715798 /nfs/dbraw/zinc/71/57/98/596715798.db2.gz XEXGYMNTGMRZQI-UHFFFAOYSA-N 2 0 327.494 1.888 20 0 EDADRP CN1CCn2nc(NC(=O)NCc3cccc4c3CC[NH2+]C4)cc2C1 ZINC000868203121 596722163 /nfs/dbraw/zinc/72/21/63/596722163.db2.gz CAHXMQWPSCYJSY-UHFFFAOYSA-N 2 0 340.431 1.296 20 0 EDADRP CC(C)n1nccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866040903 596770014 /nfs/dbraw/zinc/77/00/14/596770014.db2.gz LBAMPFHBPHTKKZ-HUUCEWRRSA-N 2 0 336.484 1.667 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000868304586 596779211 /nfs/dbraw/zinc/77/92/11/596779211.db2.gz RHPUWBMCSZSAEG-SHTZXODSSA-N 2 0 332.448 1.320 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](C[C@H]2CC3(CO2)CCOCC3)CC1 ZINC000872144574 596808899 /nfs/dbraw/zinc/80/88/99/596808899.db2.gz HLOZAWLDJWZPLV-KURKYZTESA-N 2 0 338.492 1.790 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])ccc1C ZINC000872143978 596809521 /nfs/dbraw/zinc/80/95/21/596809521.db2.gz SXZVUXZKVJQLMS-MRXNPFEDSA-N 2 0 347.459 1.601 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156458 596815898 /nfs/dbraw/zinc/81/58/98/596815898.db2.gz JXVFCZKGTBLWTJ-YOEHRIQHSA-N 2 0 348.491 1.204 20 0 EDADRP CNS(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157234 596815922 /nfs/dbraw/zinc/81/59/22/596815922.db2.gz NTYJHFPQLJQQKW-GOEBONIOSA-N 2 0 331.526 1.545 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000872197693 596831476 /nfs/dbraw/zinc/83/14/76/596831476.db2.gz YVDUXWHQURQUCT-UHFFFAOYSA-N 2 0 340.512 1.297 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000872203791 596834409 /nfs/dbraw/zinc/83/44/09/596834409.db2.gz NGCNXFDBTCIKLN-SFHVURJKSA-N 2 0 336.476 1.255 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000872245833 596852598 /nfs/dbraw/zinc/85/25/98/596852598.db2.gz FEQDNUNAAJLOGK-AWEZNQCLSA-N 2 0 325.522 1.744 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc(Cl)n1 ZINC000872266536 596861430 /nfs/dbraw/zinc/86/14/30/596861430.db2.gz XPMJOARONWNFFH-XYPHTWIQSA-N 2 0 336.867 1.891 20 0 EDADRP CC[C@](C)(CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)OC ZINC000875638886 596929746 /nfs/dbraw/zinc/92/97/46/596929746.db2.gz UQGHLTIETIBXEN-BFYDXBDKSA-N 2 0 328.501 1.182 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c2nccn21 ZINC000875646475 596931896 /nfs/dbraw/zinc/93/18/96/596931896.db2.gz VIJRBSSBWVSKGD-LSDHHAIUSA-N 2 0 347.463 1.643 20 0 EDADRP COC(=O)C[C@H]1CSCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205826 597227293 /nfs/dbraw/zinc/22/72/93/597227293.db2.gz RRHBEHILSLOQIT-LBPRGKRZSA-N 2 0 326.487 1.874 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2cccc(OCC[NH3+])c2)c1 ZINC000876523054 597230217 /nfs/dbraw/zinc/23/02/17/597230217.db2.gz JUQGEJBZAWYJJH-QGZVFWFLSA-N 2 0 329.400 1.541 20 0 EDADRP C[NH2+]CC1CCN(C(=O)c2sc(C3CC[NH2+]CC3)nc2C)CC1 ZINC000876526878 597230874 /nfs/dbraw/zinc/23/08/74/597230874.db2.gz JEPUTGZARUTWDC-UHFFFAOYSA-N 2 0 336.505 1.990 20 0 EDADRP C[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc(S(N)(=O)=O)c1 ZINC000873237133 597236050 /nfs/dbraw/zinc/23/60/50/597236050.db2.gz MPVOMYBDORPDPS-OCCSQVGLSA-N 2 0 325.478 1.763 20 0 EDADRP O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000873248733 597239675 /nfs/dbraw/zinc/23/96/75/597239675.db2.gz HXAPTACPXVIJKG-ORDFZIBCSA-N 2 0 334.485 1.969 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873271780 597244656 /nfs/dbraw/zinc/24/46/56/597244656.db2.gz LGYLUZGQPJNVSC-QWHCGFSZSA-N 2 0 325.478 1.633 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000876711547 597299068 /nfs/dbraw/zinc/29/90/68/597299068.db2.gz ZUVWFHPTCDXGGG-NJAFHUGGSA-N 2 0 349.450 1.896 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCCC[NH+]1CCCCC1 ZINC000876712949 597300258 /nfs/dbraw/zinc/30/02/58/597300258.db2.gz VAMFXYMAGBRPSZ-INIZCTEOSA-N 2 0 333.480 1.722 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000876716470 597302660 /nfs/dbraw/zinc/30/26/60/597302660.db2.gz GGJUZUBNVANSAK-HZPDHXFCSA-N 2 0 335.496 1.822 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)c1 ZINC000876719430 597303129 /nfs/dbraw/zinc/30/31/29/597303129.db2.gz LGPPVGSLGZSKGP-FDMDGMSGSA-N 2 0 331.460 1.799 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876719700 597303629 /nfs/dbraw/zinc/30/36/29/597303629.db2.gz SNPMXPWMKNQSJQ-BJIFSAINSA-N 2 0 331.460 1.799 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)C2)CC1 ZINC000876740783 597316526 /nfs/dbraw/zinc/31/65/26/597316526.db2.gz NKBQDBJIHDRHBP-KKUMJFAQSA-N 2 0 329.435 1.797 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000876865731 597362411 /nfs/dbraw/zinc/36/24/11/597362411.db2.gz GINJKWZDNOLIIL-WDEREUQCSA-N 2 0 337.292 1.819 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961204 597398511 /nfs/dbraw/zinc/39/85/11/597398511.db2.gz DBYOLBNQMWUYIQ-QUCCMNQESA-N 2 0 342.487 1.942 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000877128452 597439171 /nfs/dbraw/zinc/43/91/71/597439171.db2.gz BUHKLRDVVVIYIQ-UHFFFAOYSA-N 2 0 341.496 1.678 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000875473900 597443880 /nfs/dbraw/zinc/44/38/80/597443880.db2.gz HRNXYYKVPHMGTR-ZACQAIPSSA-N 2 0 340.512 1.326 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)[NH2+]C1 ZINC000877152157 597444605 /nfs/dbraw/zinc/44/46/05/597444605.db2.gz HCNCDOYWWFEILW-MRXNPFEDSA-N 2 0 337.508 1.916 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000875523572 597464076 /nfs/dbraw/zinc/46/40/76/597464076.db2.gz AZGFGZAPUIDSDK-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000875547440 597473197 /nfs/dbraw/zinc/47/31/97/597473197.db2.gz IIGCHUMZELCFHI-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2F)CC1 ZINC000877265778 597483362 /nfs/dbraw/zinc/48/33/62/597483362.db2.gz JENORHFEDBKAOB-AWEZNQCLSA-N 2 0 332.423 1.954 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c1 ZINC000877339890 597495415 /nfs/dbraw/zinc/49/54/15/597495415.db2.gz HOLWPQPPVNOYKO-SJLPKXTDSA-N 2 0 325.412 1.526 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877360465 597500956 /nfs/dbraw/zinc/50/09/56/597500956.db2.gz YEJOXUXVGYCYEK-GXTWGEPZSA-N 2 0 329.366 1.658 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877444718 597516572 /nfs/dbraw/zinc/51/65/72/597516572.db2.gz PAJWFFKBFZWPQA-BBRMVZONSA-N 2 0 333.480 1.639 20 0 EDADRP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451901 597517244 /nfs/dbraw/zinc/51/72/44/597517244.db2.gz MUBQWTFISYRRHJ-BBRMVZONSA-N 2 0 345.491 1.815 20 0 EDADRP CC(=O)Nc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877669172 597546399 /nfs/dbraw/zinc/54/63/99/597546399.db2.gz WRLQSYUBHNJZHI-QZTJIDSGSA-N 2 0 332.492 1.816 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cnc(N3CCCC3)nc2)C[C@H]1C[NH+](C)C ZINC000877669279 597546440 /nfs/dbraw/zinc/54/64/40/597546440.db2.gz AZSJUGGZCPTGRZ-QZTJIDSGSA-N 2 0 346.523 1.248 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cn(C[C@H]3CCOC3)nn1)CC2 ZINC000877684427 597547393 /nfs/dbraw/zinc/54/73/93/597547393.db2.gz ULZYKBMOIXQBRA-MRXNPFEDSA-N 2 0 333.480 1.622 20 0 EDADRP OCC1(C[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000877969491 597567155 /nfs/dbraw/zinc/56/71/55/597567155.db2.gz CCINCJGVQIGDLH-SFHVURJKSA-N 2 0 340.508 1.334 20 0 EDADRP OCC1(C[C@@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCC1 ZINC000877969490 597567164 /nfs/dbraw/zinc/56/71/64/597567164.db2.gz CCINCJGVQIGDLH-GOSISDBHSA-N 2 0 340.508 1.334 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000877974992 597567400 /nfs/dbraw/zinc/56/74/00/597567400.db2.gz AKZPOUGMIGQZQD-UHFFFAOYSA-N 3 0 338.540 1.641 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000878286061 597592664 /nfs/dbraw/zinc/59/26/64/597592664.db2.gz JYGHUSSRMHIVSL-MAUKXSAKSA-N 2 0 334.508 1.146 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1nnnn1C ZINC000878422433 597600742 /nfs/dbraw/zinc/60/07/42/597600742.db2.gz KSGVRFFRKDRZKF-GJZGRUSLSA-N 2 0 328.464 1.499 20 0 EDADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878520010 597621442 /nfs/dbraw/zinc/62/14/42/597621442.db2.gz FDBOILGGLNFCAA-SFHVURJKSA-N 2 0 339.480 1.108 20 0 EDADRP C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C1CC[NH+](C)CC1 ZINC000883300532 597706588 /nfs/dbraw/zinc/70/65/88/597706588.db2.gz ZYURKSRZPUONPF-ZDUSSCGKSA-N 2 0 331.526 1.557 20 0 EDADRP CN1CCN(c2ncc(CNCc3cc(O)ccc3Cl)cn2)CC1 ZINC000883324835 597713972 /nfs/dbraw/zinc/71/39/72/597713972.db2.gz GANOEXDZPDCSKV-UHFFFAOYSA-N 2 0 347.850 1.877 20 0 EDADRP CC(C)OC(=O)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000878847709 597733811 /nfs/dbraw/zinc/73/38/11/597733811.db2.gz YZPKFCNOQXGXSL-HNNXBMFYSA-N 2 0 327.469 1.153 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC000131777238 597739764 /nfs/dbraw/zinc/73/97/64/597739764.db2.gz ZXMMBKYWWQVWNX-UHFFFAOYSA-N 2 0 331.416 1.534 20 0 EDADRP C(O[C@@H]1CC[NH2+]C1)C1CC[NH+](C[C@H]2CCC3(CCOCC3)O2)CC1 ZINC000883438090 597746252 /nfs/dbraw/zinc/74/62/52/597746252.db2.gz KGCCEACRMZQPQJ-QZTJIDSGSA-N 2 0 338.492 1.805 20 0 EDADRP COc1ccc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cc1F ZINC000879037621 597795028 /nfs/dbraw/zinc/79/50/28/597795028.db2.gz CXTVDFKADBXZCZ-UHFFFAOYSA-N 2 0 337.439 1.869 20 0 EDADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N[C@@H](CO)C[NH+]3CCCC3)c2)C1 ZINC000879990689 597799652 /nfs/dbraw/zinc/79/96/52/597799652.db2.gz FTDGSOGKVJSMGP-RBUKOAKNSA-N 2 0 345.487 1.682 20 0 EDADRP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CC[C@H]1CCNC1=O)C2 ZINC000880022395 597812863 /nfs/dbraw/zinc/81/28/63/597812863.db2.gz PXMRCTVGCKGTRL-WSTZPKSXSA-N 2 0 327.472 1.967 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000883584952 597813436 /nfs/dbraw/zinc/81/34/36/597813436.db2.gz AZVJLULOGSZLFG-KRWDZBQOSA-N 2 0 331.464 1.691 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883584980 597813569 /nfs/dbraw/zinc/81/35/69/597813569.db2.gz BWCVXSOQIOLLED-YOEHRIQHSA-N 2 0 331.464 1.782 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586938 597815285 /nfs/dbraw/zinc/81/52/85/597815285.db2.gz VXWKANQGZRHBLU-MAUKXSAKSA-N 2 0 343.475 1.926 20 0 EDADRP COCC[N@@H+](CC(=O)N[C@H]1CCCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879122341 597825692 /nfs/dbraw/zinc/82/56/92/597825692.db2.gz LURVUFROOHWKQS-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000884038597 597975045 /nfs/dbraw/zinc/97/50/45/597975045.db2.gz NQADBUQOCDDJBY-RDBSUJKOSA-N 2 0 338.249 1.802 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000884180387 598017037 /nfs/dbraw/zinc/01/70/37/598017037.db2.gz WZSKFMXFMNVNKG-INIZCTEOSA-N 2 0 349.475 1.371 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000884189586 598020413 /nfs/dbraw/zinc/02/04/13/598020413.db2.gz IVKKYOHNYOBBAW-QGZVFWFLSA-N 2 0 345.443 1.266 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC2)c1 ZINC000884211928 598030880 /nfs/dbraw/zinc/03/08/80/598030880.db2.gz RFOXDSYRPGZZRH-MRXNPFEDSA-N 2 0 334.464 1.748 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000884212090 598031102 /nfs/dbraw/zinc/03/11/02/598031102.db2.gz VUNLIBXILCKAEG-KRWDZBQOSA-N 2 0 333.476 1.531 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000884269322 598049347 /nfs/dbraw/zinc/04/93/47/598049347.db2.gz KCYZZPMPLCRLBG-UHFFFAOYSA-N 2 0 343.475 1.097 20 0 EDADRP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280064 598053156 /nfs/dbraw/zinc/05/31/56/598053156.db2.gz AKKRFZJBSYRJKT-QFBILLFUSA-N 2 0 327.428 1.905 20 0 EDADRP [NH3+]CC1(CCNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884385197 598088839 /nfs/dbraw/zinc/08/88/39/598088839.db2.gz GZVVWKNFGZUNFJ-LBPRGKRZSA-N 2 0 326.238 1.694 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884401674 598093719 /nfs/dbraw/zinc/09/37/19/598093719.db2.gz XKRDIMXPOHATNI-QGZVFWFLSA-N 2 0 346.475 1.302 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1F ZINC000884404998 598095437 /nfs/dbraw/zinc/09/54/37/598095437.db2.gz DXRBRFPZNUNJLJ-DZKIICNBSA-N 2 0 349.450 1.642 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438565 598105193 /nfs/dbraw/zinc/10/51/93/598105193.db2.gz DXFIXMBXDUYVIS-OLZOCXBDSA-N 2 0 334.247 1.686 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000916653112 696710059 /nfs/dbraw/zinc/71/00/59/696710059.db2.gz FMGCNFUVXQUJDZ-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000914078716 695074496 /nfs/dbraw/zinc/07/44/96/695074496.db2.gz RZINGUAJVJMCLJ-IRXDYDNUSA-N 2 0 341.521 1.362 20 0 EDADRP Cc1nc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C)oc1C ZINC000948057698 695116867 /nfs/dbraw/zinc/11/68/67/695116867.db2.gz XXNIXFFUXDTVJX-CZUORRHYSA-N 2 0 334.464 1.856 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992743664 695264397 /nfs/dbraw/zinc/26/43/97/695264397.db2.gz PTFPWLODBLYNDL-XIRDDKMYSA-N 2 0 328.416 1.157 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000914252663 695306850 /nfs/dbraw/zinc/30/68/50/695306850.db2.gz IXPOHWDHCYIPPO-UHFFFAOYSA-N 2 0 331.464 1.439 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000914384205 695381628 /nfs/dbraw/zinc/38/16/28/695381628.db2.gz PCOUAGVYLFPZID-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC000992835832 695395723 /nfs/dbraw/zinc/39/57/23/695395723.db2.gz RPVACLNIAUUROX-HYVNUMGLSA-N 2 0 333.480 1.295 20 0 EDADRP O=C(N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1)C12CC[NH+](CC1)C2 ZINC000992853189 695408850 /nfs/dbraw/zinc/40/88/50/695408850.db2.gz DXDRADMJUKAJOW-XIRDDKMYSA-N 2 0 344.459 1.487 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)n1 ZINC000992908046 695444765 /nfs/dbraw/zinc/44/47/65/695444765.db2.gz PKNAPHYHPYZORN-KBAYOESNSA-N 2 0 345.491 1.233 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nncs3)[C@@H]2C1 ZINC000992919460 695453836 /nfs/dbraw/zinc/45/38/36/695453836.db2.gz OENQHJJHSWQXNH-ZNMIVQPWSA-N 2 0 349.504 1.351 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)CCO1 ZINC001031104219 695527351 /nfs/dbraw/zinc/52/73/51/695527351.db2.gz KPMZYLWAGSOCPT-DOTOQJQBSA-N 2 0 345.487 1.977 20 0 EDADRP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000914444347 695549187 /nfs/dbraw/zinc/54/91/87/695549187.db2.gz TVDRZOGALQPXHV-RYRKJORJSA-N 2 0 325.497 1.555 20 0 EDADRP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CCSC1 ZINC000153359689 695654171 /nfs/dbraw/zinc/65/41/71/695654171.db2.gz TZINJBJKGICWOI-KRWDZBQOSA-N 2 0 348.516 1.814 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000915135006 695747413 /nfs/dbraw/zinc/74/74/13/695747413.db2.gz BFWBINZBWFNABQ-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NC1CN(C[C@@H]2CC(C)(C)CO2)C1 ZINC001031267356 696081382 /nfs/dbraw/zinc/08/13/82/696081382.db2.gz DDHZDKVNSKISEA-AWEZNQCLSA-N 2 0 332.448 1.377 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC000993505243 696184357 /nfs/dbraw/zinc/18/43/57/696184357.db2.gz UBNVHILIPFOBFG-PBHICJAKSA-N 2 0 330.432 1.872 20 0 EDADRP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1CCn1cccn1 ZINC000993929364 696448568 /nfs/dbraw/zinc/44/85/68/696448568.db2.gz PKWMLAAXRJWBPW-FUHWJXTLSA-N 2 0 347.507 1.584 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000916182268 696634796 /nfs/dbraw/zinc/63/47/96/696634796.db2.gz OFPQJGVCUUCRIR-CVEARBPZSA-N 2 0 329.510 1.217 20 0 EDADRP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC1CCOCC1 ZINC000994261103 696674422 /nfs/dbraw/zinc/67/44/22/696674422.db2.gz YWUJVXSDJKDPID-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008004 700109476 /nfs/dbraw/zinc/10/94/76/700109476.db2.gz DEKFLUMKXIEXSO-HNNXBMFYSA-N 2 0 348.495 1.424 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1)C[NH+](C)C ZINC000916858599 696799708 /nfs/dbraw/zinc/79/97/08/696799708.db2.gz YNAMUZBGDYIUKV-CVEARBPZSA-N 2 0 328.501 1.373 20 0 EDADRP COC(C)(C)[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000918906857 697222459 /nfs/dbraw/zinc/22/24/59/697222459.db2.gz RTRQCEBXOMFPHX-UONOGXRCSA-N 2 0 326.485 1.268 20 0 EDADRP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3CN(C)CCO3)C2)c(C)s1 ZINC001031593561 697292366 /nfs/dbraw/zinc/29/23/66/697292366.db2.gz DBFHUMRBDWFREZ-MRXNPFEDSA-N 2 0 337.489 1.244 20 0 EDADRP C[C@H](O)C[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)C2)CC1 ZINC001040847168 697322249 /nfs/dbraw/zinc/32/22/49/697322249.db2.gz JEABHBBIWFRMHW-INIZCTEOSA-N 2 0 337.508 1.414 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(CN(C)C)cs1 ZINC000920236314 697410217 /nfs/dbraw/zinc/41/02/17/697410217.db2.gz MUTRIONQGQZBQK-ZDUSSCGKSA-N 2 0 325.482 1.488 20 0 EDADRP CCOC1CC(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)C1 ZINC001031665843 697446559 /nfs/dbraw/zinc/44/65/59/697446559.db2.gz JAXHZQPWMCFBGU-VJFUWPCTSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=S)NCCC[NH+](C)C)C[C@@H](C)O1 ZINC000920998302 697500061 /nfs/dbraw/zinc/50/00/61/697500061.db2.gz ZYEQURBQVFZLEA-BZUAXINKSA-N 2 0 342.553 1.386 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000921435924 697611725 /nfs/dbraw/zinc/61/17/25/697611725.db2.gz KPXPYGOLYKCFID-XYPHTWIQSA-N 2 0 336.480 1.022 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940108507 700220645 /nfs/dbraw/zinc/22/06/45/700220645.db2.gz FGEKJVJDPSQYRC-KRWDZBQOSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487644 701555965 /nfs/dbraw/zinc/55/59/65/701555965.db2.gz PLUKRETYOAIQIL-UHFFFAOYSA-N 2 0 327.432 1.185 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)C1 ZINC000941532466 701572876 /nfs/dbraw/zinc/57/28/76/701572876.db2.gz XJPNOSNVGSPXPD-QGZVFWFLSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCN(C3C[NH+](CCC4CC4)C3)CC2)CC[N@@H+]1C ZINC000941533854 701573602 /nfs/dbraw/zinc/57/36/02/701573602.db2.gz IVASMAZWLNZDJE-WMZOPIPTSA-N 2 0 348.535 1.345 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603752 701593604 /nfs/dbraw/zinc/59/36/04/701593604.db2.gz NZMITYSBXXFTOV-HKUYNNGSSA-N 2 0 348.535 1.632 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939256881 699433891 /nfs/dbraw/zinc/43/38/91/699433891.db2.gz GEOOXHXKVRPJOE-IUODEOHRSA-N 2 0 337.493 1.207 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)cc1 ZINC001031813706 699503109 /nfs/dbraw/zinc/50/31/09/699503109.db2.gz ZYOMFKCXELATNC-UHFFFAOYSA-N 2 0 343.471 1.872 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2nncs2)C1)C12CC[NH+](CC1)C2 ZINC000995165374 701610512 /nfs/dbraw/zinc/61/05/12/701610512.db2.gz CXQAYRVRVQRCAZ-OLZOCXBDSA-N 2 0 335.477 1.008 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995013544 699947946 /nfs/dbraw/zinc/94/79/46/699947946.db2.gz IUZRYMPJXLYBIZ-HUUCEWRRSA-N 2 0 347.463 1.381 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940141880 700269665 /nfs/dbraw/zinc/26/96/65/700269665.db2.gz JOHZTWCDKMYOPX-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940147905 700280009 /nfs/dbraw/zinc/28/00/09/700280009.db2.gz JDNHBYODAARISP-OAHLLOKOSA-N 2 0 349.479 1.518 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000940149935 700283072 /nfs/dbraw/zinc/28/30/72/700283072.db2.gz SGZMCRPONSYWLI-INIZCTEOSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940153866 700283389 /nfs/dbraw/zinc/28/33/89/700283389.db2.gz CDWVQIXHLZHGNL-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(CO)cc2)CC1)[NH+](C)C ZINC000940176555 700309290 /nfs/dbraw/zinc/30/92/90/700309290.db2.gz KYFFPNFYTSNCMX-GOSISDBHSA-N 2 0 347.503 1.990 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940178593 700312061 /nfs/dbraw/zinc/31/20/61/700312061.db2.gz IRSMOEKSJGEQPP-QGZVFWFLSA-N 2 0 345.491 1.740 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000940179467 700313471 /nfs/dbraw/zinc/31/34/71/700313471.db2.gz VFAYPSWXADSIJY-MRXNPFEDSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995167241 701634765 /nfs/dbraw/zinc/63/47/65/701634765.db2.gz IMUDAZBRUZZYFT-HUUCEWRRSA-N 2 0 332.448 1.453 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000940307242 700489273 /nfs/dbraw/zinc/48/92/73/700489273.db2.gz QQEJZUILWPPAIQ-QGZVFWFLSA-N 2 0 347.507 1.842 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000940328358 700506529 /nfs/dbraw/zinc/50/65/29/700506529.db2.gz HPEZQEIZFDDRLS-CJNGLKHVSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940329769 700509562 /nfs/dbraw/zinc/50/95/62/700509562.db2.gz YQBYBAZKNFISHD-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cccc(OC)n2)CC1)[NH+](C)C ZINC000940333959 700513664 /nfs/dbraw/zinc/51/36/64/700513664.db2.gz DGFZIPFWJNGTAV-INIZCTEOSA-N 2 0 348.491 1.901 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426487 700620109 /nfs/dbraw/zinc/62/01/09/700620109.db2.gz SNJBXIVJWJVKDP-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000940457698 700661542 /nfs/dbraw/zinc/66/15/42/700661542.db2.gz PZYALIGMGKVEEE-OAHLLOKOSA-N 2 0 346.475 1.974 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461630 700664741 /nfs/dbraw/zinc/66/47/41/700664741.db2.gz GBOQWAYPTAWJLP-UHFFFAOYSA-N 2 0 348.495 1.426 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)nc1 ZINC000940461818 700665293 /nfs/dbraw/zinc/66/52/93/700665293.db2.gz MIMCYBTVPZBKNE-UHFFFAOYSA-N 2 0 331.464 1.352 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000940785072 700895783 /nfs/dbraw/zinc/89/57/83/700895783.db2.gz GXQDCVHTGZPBRY-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867610 700948600 /nfs/dbraw/zinc/94/86/00/700948600.db2.gz GAIDYDMZBINYJW-BBRMVZONSA-N 2 0 330.432 1.545 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995116639 701064271 /nfs/dbraw/zinc/06/42/71/701064271.db2.gz XRZXMVLSFLVRER-HZPDHXFCSA-N 2 0 349.479 1.484 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941157459 701221193 /nfs/dbraw/zinc/22/11/93/701221193.db2.gz CJDKLQXKERURRW-IAGOWNOFSA-N 2 0 339.524 1.850 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941163734 701228685 /nfs/dbraw/zinc/22/86/85/701228685.db2.gz PJOQDOFMRCYTIF-WBVHZDCISA-N 2 0 347.507 1.479 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2ccccn2)C1 ZINC000999168201 706595698 /nfs/dbraw/zinc/59/56/98/706595698.db2.gz FSVDCYVBWNEHIH-ZWKOTPCHSA-N 2 0 328.460 1.504 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C(C)(C)C2)cn1 ZINC000941165689 701376736 /nfs/dbraw/zinc/37/67/36/701376736.db2.gz AQXKTQSWOOFTEV-MRXNPFEDSA-N 2 0 345.491 1.233 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995136470 701444599 /nfs/dbraw/zinc/44/45/99/701444599.db2.gz VPQPIMJCBAXERR-LSDHHAIUSA-N 2 0 335.452 1.176 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCCC3CCOCC3)C2)CC1 ZINC001031947165 701499793 /nfs/dbraw/zinc/49/97/93/701499793.db2.gz AMAPKOBURHEOEH-UHFFFAOYSA-N 2 0 337.508 1.583 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941454478 701548325 /nfs/dbraw/zinc/54/83/25/701548325.db2.gz GOGGPGLHGXFING-UHFFFAOYSA-N 2 0 348.535 1.491 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977817 702038124 /nfs/dbraw/zinc/03/81/24/702038124.db2.gz JCUJPCDKMPSDLZ-CRAIPNDOSA-N 2 0 344.503 1.498 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031978327 702080091 /nfs/dbraw/zinc/08/00/91/702080091.db2.gz RWPSGWVKTHLJLX-BEFAXECRSA-N 2 0 345.487 1.579 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995824795 702095970 /nfs/dbraw/zinc/09/59/70/702095970.db2.gz KUQXSRNJYULKMH-BMFZPTHFSA-N 2 0 334.464 1.650 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)o1 ZINC000995831633 702107195 /nfs/dbraw/zinc/10/71/95/702107195.db2.gz KRLMBAYPOSJJQX-WQVCFCJDSA-N 2 0 334.464 1.650 20 0 EDADRP CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000995879077 702186143 /nfs/dbraw/zinc/18/61/43/702186143.db2.gz BJTRBYBJBKUKPX-HOCLYGCPSA-N 2 0 334.464 1.596 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995896401 702201062 /nfs/dbraw/zinc/20/10/62/702201062.db2.gz NLJRHUMKZUEBHD-DLBZAZTESA-N 2 0 347.507 1.129 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)C1CC1 ZINC000995890473 702231455 /nfs/dbraw/zinc/23/14/55/702231455.db2.gz BHPPZXCHHVMLTG-JKSUJKDBSA-N 2 0 333.480 1.050 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995920215 702241536 /nfs/dbraw/zinc/24/15/36/702241536.db2.gz TZIJQLWQENEBBD-MRXNPFEDSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000995923485 702248206 /nfs/dbraw/zinc/24/82/06/702248206.db2.gz GYDRNNDPEYTVBN-HOTGVXAUSA-N 2 0 336.480 1.896 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995930257 702260598 /nfs/dbraw/zinc/26/05/98/702260598.db2.gz ZYBFWMWJFDINTK-IRXDYDNUSA-N 2 0 349.523 1.375 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC3CCC(F)(F)CC3)C2)C1 ZINC001032186538 702275077 /nfs/dbraw/zinc/27/50/77/702275077.db2.gz QLQXICLZROMMMN-OAHLLOKOSA-N 2 0 329.435 1.812 20 0 EDADRP CCc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186819 702284824 /nfs/dbraw/zinc/28/48/24/702284824.db2.gz XNYGNHNECPMFIW-GOSISDBHSA-N 2 0 345.487 1.628 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2OC)C(C)(C)C1)[NH+](C)C ZINC000995953372 702317802 /nfs/dbraw/zinc/31/78/02/702317802.db2.gz UQSPBYSOKRKYNB-HZPDHXFCSA-N 2 0 348.491 1.757 20 0 EDADRP CO[C@H](Cc1ccccc1)C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186308 702322865 /nfs/dbraw/zinc/32/28/65/702322865.db2.gz NEZZVFURCLRZHP-RBUKOAKNSA-N 2 0 345.487 1.244 20 0 EDADRP CO[C@@H](Cc1ccccc1)C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186306 702323601 /nfs/dbraw/zinc/32/36/01/702323601.db2.gz NEZZVFURCLRZHP-MOPGFXCFSA-N 2 0 345.487 1.244 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cn1 ZINC000944168262 702407836 /nfs/dbraw/zinc/40/78/36/702407836.db2.gz IHWIHQNYPQRGEL-YOEHRIQHSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996225014 702634800 /nfs/dbraw/zinc/63/48/00/702634800.db2.gz YGDRGWAANBENFT-INIZCTEOSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208691 702679451 /nfs/dbraw/zinc/67/94/51/702679451.db2.gz ILDCFZXIVAVUOL-HOTGVXAUSA-N 2 0 331.464 1.255 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302773 702694822 /nfs/dbraw/zinc/69/48/22/702694822.db2.gz ZGEKPYFXXQTAIB-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@H]([NH2+]C[C@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996385788 702749753 /nfs/dbraw/zinc/74/97/53/702749753.db2.gz JRVSDEXNFNXJJA-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258934 702768781 /nfs/dbraw/zinc/76/87/81/702768781.db2.gz QUARPUGWJYEGIJ-GOEBONIOSA-N 2 0 346.475 1.938 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996476322 702808162 /nfs/dbraw/zinc/80/81/62/702808162.db2.gz FYUYGYISUANAPR-NVXWUHKLSA-N 2 0 343.475 1.432 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CC[C@H]1CCCO1 ZINC000996519767 702855569 /nfs/dbraw/zinc/85/55/69/702855569.db2.gz LCMKMUXGCMKRFM-CVEARBPZSA-N 2 0 335.492 1.478 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519691 702855642 /nfs/dbraw/zinc/85/56/42/702855642.db2.gz QFZZUHOQUGXBBN-JKSUJKDBSA-N 2 0 347.507 1.571 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560513 702879114 /nfs/dbraw/zinc/87/91/14/702879114.db2.gz IVPKFPYXOPJLJQ-QGZVFWFLSA-N 2 0 345.491 1.325 20 0 EDADRP Cc1cnc([C@H](C)[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996612359 702917305 /nfs/dbraw/zinc/91/73/05/702917305.db2.gz QTEYYHRXHZWPTE-DOTOQJQBSA-N 2 0 345.491 1.768 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614379 702919849 /nfs/dbraw/zinc/91/98/49/702919849.db2.gz MYEZXRYRISXIJJ-ZBFHGGJFSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1ccnc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996615686 702922910 /nfs/dbraw/zinc/92/29/10/702922910.db2.gz QFLMUMJPAOIBHS-HUUCEWRRSA-N 2 0 331.464 1.063 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996661981 702959567 /nfs/dbraw/zinc/95/95/67/702959567.db2.gz BUNCDJOCFWZTRQ-UHFFFAOYSA-N 2 0 348.495 1.171 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996664639 702960144 /nfs/dbraw/zinc/96/01/44/702960144.db2.gz GVUSGYKIGCPFCH-UHFFFAOYSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nc1 ZINC000996665977 702968530 /nfs/dbraw/zinc/96/85/30/702968530.db2.gz NYGFJPPIYGWZMY-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)C1CC1 ZINC000996678450 702977299 /nfs/dbraw/zinc/97/72/99/702977299.db2.gz NTWZSKKSDKUVQU-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)sn1 ZINC000996679136 702977787 /nfs/dbraw/zinc/97/77/87/702977787.db2.gz PZXBQQLBZFBRMI-MRXNPFEDSA-N 2 0 336.505 1.872 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCc1ccccc1 ZINC001032315827 702980431 /nfs/dbraw/zinc/98/04/31/702980431.db2.gz XQXHTHPJEAZMBK-GBESFXJTSA-N 2 0 327.472 1.999 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC000996688214 702985553 /nfs/dbraw/zinc/98/55/53/702985553.db2.gz GRXLFYJQFUZSBS-NVXWUHKLSA-N 2 0 345.491 1.993 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1)[NH+](C)C ZINC000996693771 702991134 /nfs/dbraw/zinc/99/11/34/702991134.db2.gz QYFLUXUNBNIXRO-KRWDZBQOSA-N 2 0 335.496 1.129 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000996686590 702993245 /nfs/dbraw/zinc/99/32/45/702993245.db2.gz DLZAFMKETOSRMN-SFHVURJKSA-N 2 0 348.491 1.757 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2snnc2C)CC1)[NH+](C)C ZINC000996712454 703007532 /nfs/dbraw/zinc/00/75/32/703007532.db2.gz PBDYSOBHORNBKH-CYBMUJFWSA-N 2 0 325.482 1.267 20 0 EDADRP O=C(N1CCC([NH2+]CC2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996728551 703023649 /nfs/dbraw/zinc/02/36/49/703023649.db2.gz NTOVNGIQKGBKBZ-UHFFFAOYSA-N 2 0 349.519 1.870 20 0 EDADRP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942529210 703029829 /nfs/dbraw/zinc/02/98/29/703029829.db2.gz HCWDCOBYPQUONF-CRAIPNDOSA-N 2 0 333.476 1.223 20 0 EDADRP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001032684911 706716483 /nfs/dbraw/zinc/71/64/83/706716483.db2.gz YRSUFOXQKBUXPV-WBAXXEDZSA-N 2 0 331.460 1.682 20 0 EDADRP CC(C)N1CC[NH+](C2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996801206 703087306 /nfs/dbraw/zinc/08/73/06/703087306.db2.gz FBXMPBUXUWJOCG-WWDZGPRUSA-N 2 0 336.524 1.392 20 0 EDADRP C[C@H]1C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597132 703111887 /nfs/dbraw/zinc/11/18/87/703111887.db2.gz JBMPFYGWAUPPPI-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942597967 703112742 /nfs/dbraw/zinc/11/27/42/703112742.db2.gz PAEDXGDCGWNMTB-CXAGYDPISA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC000996945178 703214228 /nfs/dbraw/zinc/21/42/28/703214228.db2.gz GHGWGKQYPIIUTJ-CQSZACIVSA-N 2 0 331.464 1.460 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1C ZINC000996948064 703217547 /nfs/dbraw/zinc/21/75/47/703217547.db2.gz ZOXDBDPVROUJDE-UHFFFAOYSA-N 2 0 333.480 1.151 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996994851 703251390 /nfs/dbraw/zinc/25/13/90/703251390.db2.gz KSZUAVREXCPJAI-CQSZACIVSA-N 2 0 333.480 1.293 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000997002657 703259244 /nfs/dbraw/zinc/25/92/44/703259244.db2.gz XTFUGQCOCLBWIT-UONOGXRCSA-N 2 0 348.495 1.493 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccccn3)CC2)C1 ZINC000997004616 703261608 /nfs/dbraw/zinc/26/16/08/703261608.db2.gz FOGWHRAMMLGEMC-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC000997005676 703263130 /nfs/dbraw/zinc/26/31/30/703263130.db2.gz IXEXQHKUBVSIPR-OLZOCXBDSA-N 2 0 334.468 1.097 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(C(N)=O)cc2)CC1)[NH+](C)C ZINC000997009186 703269690 /nfs/dbraw/zinc/26/96/90/703269690.db2.gz IHGKKSZOWUAYBU-KRWDZBQOSA-N 2 0 346.475 1.206 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997011373 703271568 /nfs/dbraw/zinc/27/15/68/703271568.db2.gz VHNZOIKFKCFIME-CJNGLKHVSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)sn1 ZINC000997012695 703272696 /nfs/dbraw/zinc/27/26/96/703272696.db2.gz YFKLZSVSIDAOPU-LRDDRELGSA-N 2 0 336.505 1.730 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000997060494 703305602 /nfs/dbraw/zinc/30/56/02/703305602.db2.gz GYRUZVUQPLYLJF-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCN(Cc2nccn2C)CC1 ZINC000997100694 703346453 /nfs/dbraw/zinc/34/64/53/703346453.db2.gz OCIRYXXYCBBEBH-BFYDXBDKSA-N 2 0 347.507 1.477 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1)C(N)=O ZINC000997101081 703346980 /nfs/dbraw/zinc/34/69/80/703346980.db2.gz PAHMMWGHSDZLSG-KRWDZBQOSA-N 2 0 346.475 1.206 20 0 EDADRP COC(=O)COc1ccccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000921522715 703358073 /nfs/dbraw/zinc/35/80/73/703358073.db2.gz SYKYEUZWPBMOPQ-UHFFFAOYSA-N 2 0 349.475 1.354 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997183306 703468632 /nfs/dbraw/zinc/46/86/32/703468632.db2.gz JKCAZCVOPUQMSC-HOCLYGCPSA-N 2 0 349.479 1.579 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000997183533 703468944 /nfs/dbraw/zinc/46/89/44/703468944.db2.gz KKBZUBNAHRZCJK-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997185868 703475093 /nfs/dbraw/zinc/47/50/93/703475093.db2.gz SYUCYDZJEMCWRH-HOCLYGCPSA-N 2 0 348.495 1.016 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000997186962 703476169 /nfs/dbraw/zinc/47/61/69/703476169.db2.gz UUWOGZXPUOMTRQ-KLHKWILBSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cnc(Cl)s3)CC2)C1 ZINC000997300469 703544037 /nfs/dbraw/zinc/54/40/37/703544037.db2.gz VNRADWVBPBPXTE-LLVKDONJSA-N 2 0 342.896 1.829 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)sn1 ZINC000997298998 703556730 /nfs/dbraw/zinc/55/67/30/703556730.db2.gz MEAJZEQUISAUSZ-GFCCVEGCSA-N 2 0 338.477 1.184 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(F)cc(F)c3)CC2)C1 ZINC000997299576 703557232 /nfs/dbraw/zinc/55/72/32/703557232.db2.gz PSNRMXNPNOUAOA-AWEZNQCLSA-N 2 0 337.414 1.997 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997304918 703564325 /nfs/dbraw/zinc/56/43/25/703564325.db2.gz XYROAVDGPRUMGT-AWEZNQCLSA-N 2 0 336.505 1.526 20 0 EDADRP Cc1nccn1CC(=O)N1CCC(NCc2noc(C(C)C)n2)CC1 ZINC000997307015 703565477 /nfs/dbraw/zinc/56/54/77/703565477.db2.gz LAKIMJYWPJFIBO-UHFFFAOYSA-N 2 0 346.435 1.479 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1)C(N)=O ZINC000997356824 703587805 /nfs/dbraw/zinc/58/78/05/703587805.db2.gz OHVJBJGQZQGECG-QGZVFWFLSA-N 2 0 346.475 1.206 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000997366828 703600839 /nfs/dbraw/zinc/60/08/39/703600839.db2.gz NHXUZNZVPKKHGA-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCC2)CC1 ZINC001032705826 706756296 /nfs/dbraw/zinc/75/62/96/706756296.db2.gz MIYAEODIGUPPEN-ROUUACIJSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C[C@@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032459791 703639543 /nfs/dbraw/zinc/63/95/43/703639543.db2.gz NJWLGCKMTPYMND-QAETUUGQSA-N 2 0 337.508 1.673 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997422231 703670842 /nfs/dbraw/zinc/67/08/42/703670842.db2.gz TYQVVZQDSPJCIN-KDOFPFPSSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997515912 703763677 /nfs/dbraw/zinc/76/36/77/703763677.db2.gz PIDVQMUHEMKZJI-YOEHRIQHSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1)OC ZINC001004209340 703951739 /nfs/dbraw/zinc/95/17/39/703951739.db2.gz SQVKCURSGIQGCN-DLBZAZTESA-N 2 0 325.497 1.866 20 0 EDADRP CN1CCO[C@@H](C(=O)N2CCC(C[NH2+]CC3=CCCCC3)CC2)C1 ZINC000997644138 703951701 /nfs/dbraw/zinc/95/17/01/703951701.db2.gz DWCNIQBRIYSFEM-GOSISDBHSA-N 2 0 335.492 1.646 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995552154 703958706 /nfs/dbraw/zinc/95/87/06/703958706.db2.gz PXUKJPAJWRKCQN-CVEARBPZSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082206 704138749 /nfs/dbraw/zinc/13/87/49/704138749.db2.gz PBJWNBGKPTXKJM-HZPDHXFCSA-N 2 0 348.516 1.826 20 0 EDADRP CC(C)n1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033091105 704165552 /nfs/dbraw/zinc/16/55/52/704165552.db2.gz GWFUZFXFACBSLJ-KBAYOESNSA-N 2 0 347.507 1.837 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997785675 704689707 /nfs/dbraw/zinc/68/97/07/704689707.db2.gz KYAXEGGUOAWZKD-UKRRQHHQSA-N 2 0 335.452 1.046 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000997793082 704699374 /nfs/dbraw/zinc/69/93/74/704699374.db2.gz LFWIQINJEQXEMY-ZWKOTPCHSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000997792015 704700372 /nfs/dbraw/zinc/70/03/72/704700372.db2.gz DOSWYMIGQOARBH-CRAIPNDOSA-N 2 0 345.491 1.453 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000997819815 704740935 /nfs/dbraw/zinc/74/09/35/704740935.db2.gz DSOSOEIIBCDTJL-MRXNPFEDSA-N 2 0 348.495 1.018 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997832127 704750396 /nfs/dbraw/zinc/75/03/96/704750396.db2.gz ZPXKZSKULMETTL-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2cscn2)CC1)C1CCC1 ZINC000997832062 704750460 /nfs/dbraw/zinc/75/04/60/704750460.db2.gz YEKIRNDPVWJEPO-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997830709 704751091 /nfs/dbraw/zinc/75/10/91/704751091.db2.gz MTEXAMJDECCJKK-KRWDZBQOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997831093 704751324 /nfs/dbraw/zinc/75/13/24/704751324.db2.gz QEOMDSYEZJHOMV-MLGOLLRUSA-N 2 0 349.479 1.607 20 0 EDADRP Cn1ncc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840664 704757070 /nfs/dbraw/zinc/75/70/70/704757070.db2.gz PXTLBLCGYUNMGJ-QGZVFWFLSA-N 2 0 348.495 1.018 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000997865524 704772505 /nfs/dbraw/zinc/77/25/05/704772505.db2.gz FIZGBKVFTDZMSH-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP Cc1ccnc(CN2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944943399 704795938 /nfs/dbraw/zinc/79/59/38/704795938.db2.gz HJKONNGKCFNRNU-ZBFHGGJFSA-N 2 0 331.464 1.207 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998007430 705172196 /nfs/dbraw/zinc/17/21/96/705172196.db2.gz NWKXUYBYGSVGPX-MSOLQXFVSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)[C@@H]1CCn2cncc2C1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998042815 705237665 /nfs/dbraw/zinc/23/76/65/705237665.db2.gz AOJMZWLSPRDZAW-SJORKVTESA-N 2 0 348.491 1.795 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998082212 705309256 /nfs/dbraw/zinc/30/92/56/705309256.db2.gz OMWIJSSSVSIHKM-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)no1 ZINC000998083132 705311514 /nfs/dbraw/zinc/31/15/14/705311514.db2.gz VGBIIKWSKJXFRL-CQSZACIVSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998083890 705313683 /nfs/dbraw/zinc/31/36/83/705313683.db2.gz YILLRSUSKGUAAA-CYBMUJFWSA-N 2 0 335.452 1.048 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)co1 ZINC000998084080 705313896 /nfs/dbraw/zinc/31/38/96/705313896.db2.gz ZEJXOWSDKIBRQK-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP CCN(C(=O)[C@@H]1CCCc2nc[nH]c21)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998115368 705360232 /nfs/dbraw/zinc/36/02/32/705360232.db2.gz IIBPVWLNYNDWLW-HUUCEWRRSA-N 2 0 334.464 1.525 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998217953 705540236 /nfs/dbraw/zinc/54/02/36/705540236.db2.gz UPCURUAQVLSGEW-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998226303 705556390 /nfs/dbraw/zinc/55/63/90/705556390.db2.gz WOLGARWCTDQRKE-ZDUSSCGKSA-N 2 0 347.463 1.363 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998226302 705556545 /nfs/dbraw/zinc/55/65/45/705556545.db2.gz WOLGARWCTDQRKE-CYBMUJFWSA-N 2 0 347.463 1.363 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000998265293 705632137 /nfs/dbraw/zinc/63/21/37/705632137.db2.gz KKWCJXPGFAIHDQ-MRXNPFEDSA-N 2 0 331.464 1.065 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC000998267663 705638536 /nfs/dbraw/zinc/63/85/36/705638536.db2.gz YIUIZYOOKFGKKE-JSGCOSHPSA-N 2 0 337.493 1.379 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000998268101 705639975 /nfs/dbraw/zinc/63/99/75/705639975.db2.gz BNRPSKHPLOVKQY-MRXNPFEDSA-N 2 0 334.464 1.571 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@H]2C)o1 ZINC000945332283 705643961 /nfs/dbraw/zinc/64/39/61/705643961.db2.gz BVYHDNNEHCDSOK-ZBFHGGJFSA-N 2 0 337.464 1.554 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1csnn1 ZINC000998270599 705648967 /nfs/dbraw/zinc/64/89/67/705648967.db2.gz VTOHBWYJKYFOJZ-CYBMUJFWSA-N 2 0 337.493 1.523 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)sn1 ZINC000998269405 705651968 /nfs/dbraw/zinc/65/19/68/705651968.db2.gz OOWFUKWZRZIASM-UHFFFAOYSA-N 2 0 336.505 1.876 20 0 EDADRP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998274129 705654744 /nfs/dbraw/zinc/65/47/44/705654744.db2.gz RGPJCGVWRGDABM-MRXNPFEDSA-N 2 0 348.491 1.825 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC(NCc2csc(Cl)n2)C1 ZINC000998550637 705986917 /nfs/dbraw/zinc/98/69/17/705986917.db2.gz NUBUHKGWTPJPFL-KGPNIALWSA-N 2 0 342.896 1.970 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H]1CC(C)(C)C)C2=O ZINC000057821734 706047696 /nfs/dbraw/zinc/04/76/96/706047696.db2.gz JDLHTCZZEYFIED-AWEZNQCLSA-N 2 0 336.480 1.861 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998718097 706149766 /nfs/dbraw/zinc/14/97/66/706149766.db2.gz BAZKTSFLFKCDRL-LSDHHAIUSA-N 2 0 336.867 1.910 20 0 EDADRP CN(C)c1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000998718968 706150600 /nfs/dbraw/zinc/15/06/00/706150600.db2.gz DJSXALLMSHWAPM-IEBWSBKVSA-N 2 0 344.503 1.927 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)[nH]1 ZINC000998764743 706203887 /nfs/dbraw/zinc/20/38/87/706203887.db2.gz UOGGSWGSCFMUAF-YMAMQOFZSA-N 2 0 334.468 1.065 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998792191 706238884 /nfs/dbraw/zinc/23/88/84/706238884.db2.gz VKXIBRBLFZSPCE-AGERRDQYSA-N 2 0 347.507 1.883 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC(NCc3cnon3)C2)C1 ZINC000998902048 706338629 /nfs/dbraw/zinc/33/86/29/706338629.db2.gz RJMPKLPFNQZAKQ-VQCLRJIVSA-N 2 0 335.452 1.127 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC3CCOCC3)C[C@H]2CC1 ZINC000946517916 706555093 /nfs/dbraw/zinc/55/50/93/706555093.db2.gz MBKFKTKXAZIQRH-OTWHNJEPSA-N 2 0 349.519 1.678 20 0 EDADRP Cc1noc(CN[C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)n1 ZINC000999155633 706585655 /nfs/dbraw/zinc/58/56/55/706585655.db2.gz YXAOEVNJKFYHBA-OAHLLOKOSA-N 2 0 349.479 1.723 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999348395 706860586 /nfs/dbraw/zinc/86/05/86/706860586.db2.gz OFANZCUOGZUKOI-INIZCTEOSA-N 2 0 333.480 1.293 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999353243 706866376 /nfs/dbraw/zinc/86/63/76/706866376.db2.gz LUMCAXSXJIMZOI-GDBMZVCRSA-N 2 0 327.444 1.180 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999374984 706869241 /nfs/dbraw/zinc/86/92/41/706869241.db2.gz SQNXHWMGNZQHJV-UKRRQHHQSA-N 2 0 337.493 1.267 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379558 706873552 /nfs/dbraw/zinc/87/35/52/706873552.db2.gz ZKMDDBFVAWWEIM-NVXWUHKLSA-N 2 0 331.464 1.206 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999401654 706909473 /nfs/dbraw/zinc/90/94/73/706909473.db2.gz PNMJNNBPVWLXHU-IAGOWNOFSA-N 2 0 347.507 1.858 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999506851 707004582 /nfs/dbraw/zinc/00/45/82/707004582.db2.gz CBXHGNILFNDXDD-CVEARBPZSA-N 2 0 333.480 1.468 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488997 707024842 /nfs/dbraw/zinc/02/48/42/707024842.db2.gz IERBPHIMPUGKKW-MRXNPFEDSA-N 2 0 345.491 1.377 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]Cc2cnns2)C1)C12CCC[NH+](CCC1)C2 ZINC000999490879 707027003 /nfs/dbraw/zinc/02/70/03/707027003.db2.gz TYNFGXAOGCRENM-CQSZACIVSA-N 2 0 349.504 1.495 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)ccn2)C1)[NH+](C)C ZINC000999495762 707032667 /nfs/dbraw/zinc/03/26/67/707032667.db2.gz LFCXCIGCFZLIAB-RHSMWYFYSA-N 2 0 334.464 1.511 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCc3cncn3C2)C1 ZINC000999533913 707034582 /nfs/dbraw/zinc/03/45/82/707034582.db2.gz BCNMIAWSPIAENC-HUUCEWRRSA-N 2 0 343.431 1.523 20 0 EDADRP Cc1c(C(=O)N2CCC[C@H]([NH2+]C[C@@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC000999563449 707059755 /nfs/dbraw/zinc/05/97/55/707059755.db2.gz SPJMSNKLMCUMKF-HOTGVXAUSA-N 2 0 342.443 1.873 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999680831 707165616 /nfs/dbraw/zinc/16/56/16/707165616.db2.gz ASFUMNWPLFKPMR-QQFBHYJXSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033265699 707289721 /nfs/dbraw/zinc/28/97/21/707289721.db2.gz IPHJRGSRLPGLKV-CQSZACIVSA-N 2 0 326.391 1.770 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999705758 707295888 /nfs/dbraw/zinc/29/58/88/707295888.db2.gz HBFKZHZZLYRGIQ-UHFFFAOYSA-N 2 0 331.464 1.078 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999708869 707301083 /nfs/dbraw/zinc/30/10/83/707301083.db2.gz PGHDDOSGGLLQCF-UHFFFAOYSA-N 2 0 332.423 1.396 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946784891 707317487 /nfs/dbraw/zinc/31/74/87/707317487.db2.gz ZDUGAVJCNXOOGG-FJIDUMEYSA-N 2 0 337.508 1.534 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033294786 707420086 /nfs/dbraw/zinc/42/00/86/707420086.db2.gz FNPMNOJMXQYWPH-ROUUACIJSA-N 2 0 345.491 1.290 20 0 EDADRP COc1cncc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000700079859 707603903 /nfs/dbraw/zinc/60/39/03/707603903.db2.gz YTUYPKAZISJWHP-UHFFFAOYSA-N 2 0 340.471 1.998 20 0 EDADRP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932353 707695684 /nfs/dbraw/zinc/69/56/84/707695684.db2.gz ZGXQSPUDBQRMEN-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC001033397027 707736179 /nfs/dbraw/zinc/73/61/79/707736179.db2.gz RBSFIJCCKLWWFZ-INIZCTEOSA-N 2 0 346.475 1.927 20 0 EDADRP Cc1cccc(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)c1 ZINC001032733572 707741453 /nfs/dbraw/zinc/74/14/53/707741453.db2.gz AWAZGUNMVABLKV-ROUUACIJSA-N 2 0 325.456 1.876 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417268 707799593 /nfs/dbraw/zinc/79/95/93/707799593.db2.gz VSPPSWBMDHIKLU-RHSMWYFYSA-N 2 0 329.460 1.378 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033225020 707849371 /nfs/dbraw/zinc/84/93/71/707849371.db2.gz CBTACCCAGWIRDX-DLBZAZTESA-N 2 0 349.519 1.963 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000921733368 707920989 /nfs/dbraw/zinc/92/09/89/707920989.db2.gz NZFPCEPXSRUUQU-GOSISDBHSA-N 2 0 344.503 1.647 20 0 EDADRP C[C@@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490625 707985163 /nfs/dbraw/zinc/98/51/63/707985163.db2.gz UXJBVIVFDFQYGH-ZBFHGGJFSA-N 2 0 339.459 1.339 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005179337 708122138 /nfs/dbraw/zinc/12/21/38/708122138.db2.gz NJVQRPXOOSRXGM-QGZVFWFLSA-N 2 0 334.464 1.808 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582091 708264418 /nfs/dbraw/zinc/26/44/18/708264418.db2.gz NZLWFBSTKGLEBS-AEFFLSMTSA-N 2 0 347.507 1.320 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582806 708266289 /nfs/dbraw/zinc/26/62/89/708266289.db2.gz RDMUPLQBUSCEOA-JKSUJKDBSA-N 2 0 348.491 1.920 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C[C@H](C)O)CC2)C1 ZINC001001752254 708274480 /nfs/dbraw/zinc/27/44/80/708274480.db2.gz YSVOUZGJSFIRPR-RDJZCZTQSA-N 2 0 325.497 1.317 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571408 708274501 /nfs/dbraw/zinc/27/45/01/708274501.db2.gz NVOGOSSFEHWFQY-YJBOKZPZSA-N 2 0 337.508 1.676 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H]3CCCOC3)CC2)CC1 ZINC001001795463 708310025 /nfs/dbraw/zinc/31/00/25/708310025.db2.gz SYSIOIAUUJNRFG-QGZVFWFLSA-N 2 0 337.508 1.583 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001033663968 708444367 /nfs/dbraw/zinc/44/43/67/708444367.db2.gz AVKCAAJJDYRQHT-ROUUACIJSA-N 2 0 349.450 1.488 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121609 708635580 /nfs/dbraw/zinc/63/55/80/708635580.db2.gz SFRKMBFTXFIVIA-KRWDZBQOSA-N 2 0 330.476 1.670 20 0 EDADRP CCC(CC)C[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CN(C)CCO2)C1 ZINC001033788914 708699499 /nfs/dbraw/zinc/69/94/99/708699499.db2.gz LJVPXLJETUIWHE-DLBZAZTESA-N 2 0 325.497 1.676 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ncc(C)o2)C1 ZINC001033837757 708867187 /nfs/dbraw/zinc/86/71/87/708867187.db2.gz JIPCNLPMPXWHLK-OWCLPIDISA-N 2 0 334.464 1.746 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCn2cccn2)CC1 ZINC001005398377 708881647 /nfs/dbraw/zinc/88/16/47/708881647.db2.gz OBOCOLBEMQQZDU-SFHVURJKSA-N 2 0 345.491 1.148 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001005399498 708886087 /nfs/dbraw/zinc/88/60/87/708886087.db2.gz TZPPKSBGSHLGHN-OALUTQOASA-N 2 0 349.519 1.820 20 0 EDADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001005409134 708918643 /nfs/dbraw/zinc/91/86/43/708918643.db2.gz GOSAFNVSFBRSPD-UHFFFAOYSA-N 2 0 347.507 1.947 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001005415515 708933683 /nfs/dbraw/zinc/93/36/83/708933683.db2.gz LTUJGJDXKGTXBL-BPQIPLTHSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427333 708982114 /nfs/dbraw/zinc/98/21/14/708982114.db2.gz WNIQSHJQGJTRLB-RTBURBONSA-N 2 0 349.519 1.963 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCCC1 ZINC001002472634 709006016 /nfs/dbraw/zinc/00/60/16/709006016.db2.gz CKMBEGFROQOMCG-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033928373 709059617 /nfs/dbraw/zinc/05/96/17/709059617.db2.gz YXQYGCNBYJJHRH-ROUUACIJSA-N 2 0 347.507 1.370 20 0 EDADRP CN(C(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC001005473863 709109698 /nfs/dbraw/zinc/10/96/98/709109698.db2.gz AYVXBMKUYOMTLQ-UHFFFAOYSA-N 2 0 339.505 1.729 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001034037721 709270306 /nfs/dbraw/zinc/27/03/06/709270306.db2.gz DWYPMUIRLXGSPB-MSOLQXFVSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@]1(C(=O)N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@]3(C)C2)CC[NH2+]C1 ZINC000702086147 709330076 /nfs/dbraw/zinc/33/00/76/709330076.db2.gz GSLNWSVNMBWJIO-YSIASYRMSA-N 2 0 327.472 1.967 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCCC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034130596 709400609 /nfs/dbraw/zinc/40/06/09/709400609.db2.gz JDHIMNCGEIUCSL-ZWKOTPCHSA-N 2 0 347.507 1.565 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCc2ccns2)C1 ZINC001034131130 709400718 /nfs/dbraw/zinc/40/07/18/709400718.db2.gz LQMVZRMBZHCXJP-HOCLYGCPSA-N 2 0 336.505 1.751 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)OC ZINC001002793672 709401991 /nfs/dbraw/zinc/40/19/91/709401991.db2.gz ZBPNVKOFGNJMLN-SJORKVTESA-N 2 0 325.497 1.865 20 0 EDADRP O=C(NC1CC[NH+](CCC2CCOCC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002832961 709443673 /nfs/dbraw/zinc/44/36/73/709443673.db2.gz NMMBBAQAAVHTGO-LJQANCHMSA-N 2 0 349.519 1.726 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034211298 709562414 /nfs/dbraw/zinc/56/24/14/709562414.db2.gz ZDWBVTBGPFSFOG-MRXNPFEDSA-N 2 0 335.496 1.829 20 0 EDADRP CC(C)(C)[NH2+]CCC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702603901 709700632 /nfs/dbraw/zinc/70/06/32/709700632.db2.gz OUTKXJAUQDPIJG-LJQANCHMSA-N 2 0 333.476 1.518 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321909 709772739 /nfs/dbraw/zinc/77/27/39/709772739.db2.gz XJRULNOGOGJXKN-NNVNDSJASA-N 2 0 347.503 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001045438294 710028024 /nfs/dbraw/zinc/02/80/24/710028024.db2.gz OHJYIJJTFBFGOF-DLBZAZTESA-N 2 0 337.508 1.866 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464056 710034333 /nfs/dbraw/zinc/03/43/33/710034333.db2.gz WOLDCILDXSRFPU-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034460355 710077210 /nfs/dbraw/zinc/07/72/10/710077210.db2.gz COCCCJMTZSAHEW-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478869 710088035 /nfs/dbraw/zinc/08/80/35/710088035.db2.gz PMEZMDUYZDJNEB-YJBOKZPZSA-N 2 0 337.508 1.460 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CCOC3CCC3)C2)C1 ZINC001034490423 710109368 /nfs/dbraw/zinc/10/93/68/710109368.db2.gz LBTUUTYFIUGJHE-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034490828 710110377 /nfs/dbraw/zinc/11/03/77/710110377.db2.gz OCPOSIXPOAZOMI-FUHWJXTLSA-N 2 0 347.507 1.541 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](C[C@@H]2CCCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034487971 710136788 /nfs/dbraw/zinc/13/67/88/710136788.db2.gz RVLLNDUTDVAGRT-IRXDYDNUSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)C12CCC[NH+]1CCC2 ZINC001003244183 710167310 /nfs/dbraw/zinc/16/73/10/710167310.db2.gz LWKSLRKZBJWRMN-KRWDZBQOSA-N 2 0 335.492 1.765 20 0 EDADRP COc1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525392 710175266 /nfs/dbraw/zinc/17/52/66/710175266.db2.gz LXRUSGLVFCVHRP-DLBZAZTESA-N 2 0 346.475 1.513 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034526491 710178123 /nfs/dbraw/zinc/17/81/23/710178123.db2.gz YPVBDRAPLMOKQK-JKSUJKDBSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)oc1C ZINC001034613173 710288200 /nfs/dbraw/zinc/28/82/00/710288200.db2.gz XKBPAJSCXUYOTM-JYJNAYRXSA-N 2 0 334.464 1.903 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CC[C@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001032840092 710289223 /nfs/dbraw/zinc/28/92/23/710289223.db2.gz MBHDOMHXVJNTCB-WNRNVDISSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034648506 710325264 /nfs/dbraw/zinc/32/52/64/710325264.db2.gz KEVZBUCSCDBQAX-NXWXRZEISA-N 2 0 349.519 1.772 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCn3cccn3)CC2)CC[N@@H+]1C ZINC001003493250 710376002 /nfs/dbraw/zinc/37/60/02/710376002.db2.gz UDWSSLOLKLKHMH-HOTGVXAUSA-N 2 0 333.480 1.194 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003625261 710454364 /nfs/dbraw/zinc/45/43/64/710454364.db2.gz DLZLWPHDLTXSJO-CQSZACIVSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001003626609 710455781 /nfs/dbraw/zinc/45/57/81/710455781.db2.gz SIGIOEXIEDKDCL-ZDUSSCGKSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003668045 710480232 /nfs/dbraw/zinc/48/02/32/710480232.db2.gz VUSOPPKDLOESEA-IPELMVKDSA-N 2 0 345.487 1.293 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003799326 710567519 /nfs/dbraw/zinc/56/75/19/710567519.db2.gz DVHASNXPOMWPNW-KRWDZBQOSA-N 2 0 346.475 1.206 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034673408 710606935 /nfs/dbraw/zinc/60/69/35/710606935.db2.gz AFRBKJZHZFBIOF-JYJNAYRXSA-N 2 0 333.480 1.421 20 0 EDADRP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1)OC ZINC001005592393 710638508 /nfs/dbraw/zinc/63/85/08/710638508.db2.gz LOYLDXRQHMZART-IAGOWNOFSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003842134 710677983 /nfs/dbraw/zinc/67/79/83/710677983.db2.gz VINVDKLPDWEBLT-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034734058 710915518 /nfs/dbraw/zinc/91/55/18/710915518.db2.gz IOTFOMYUDWBSBB-QAQDUYKDSA-N 2 0 347.507 1.632 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734667 710917435 /nfs/dbraw/zinc/91/74/35/710917435.db2.gz UYMIGIBQBMXKKI-KQTLUZQSSA-N 2 0 336.505 1.858 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H]1CCN(Cc2ccnc(Cl)c2)C1 ZINC001032944012 710918314 /nfs/dbraw/zinc/91/83/14/710918314.db2.gz HPIICEQKVONBJA-HUUCEWRRSA-N 2 0 336.867 1.862 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738291 710953811 /nfs/dbraw/zinc/95/38/11/710953811.db2.gz SMFBNRJLIVTJIJ-BNEJOLLZSA-N 2 0 347.507 1.443 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001032960638 710970496 /nfs/dbraw/zinc/97/04/96/710970496.db2.gz YCQQABQVWCLJLR-FUHWJXTLSA-N 2 0 349.450 1.831 20 0 EDADRP COCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032969527 711048456 /nfs/dbraw/zinc/04/84/56/711048456.db2.gz XCELZDKVZOXHEI-MOPGFXCFSA-N 2 0 345.487 1.960 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034775637 711049451 /nfs/dbraw/zinc/04/94/51/711049451.db2.gz FLIXAXUEBHTPHK-BZUAXINKSA-N 2 0 334.464 1.842 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003974027 711131306 /nfs/dbraw/zinc/13/13/06/711131306.db2.gz HYGATZCQKYAEPE-OAHLLOKOSA-N 2 0 348.491 1.968 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001003977124 711148275 /nfs/dbraw/zinc/14/82/75/711148275.db2.gz VMANPQASWMGZQS-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCCOC3)cc2)C1 ZINC001034830780 711236708 /nfs/dbraw/zinc/23/67/08/711236708.db2.gz DJZGSUAXXFHBQH-RBUKOAKNSA-N 2 0 345.487 1.771 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034933897 711359063 /nfs/dbraw/zinc/35/90/63/711359063.db2.gz DLIYHEVHRAADFL-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034953728 711418692 /nfs/dbraw/zinc/41/86/92/711418692.db2.gz HMUCDCPOZHFYAB-SJORKVTESA-N 2 0 333.480 1.375 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)cn1 ZINC001034956598 711426829 /nfs/dbraw/zinc/42/68/29/711426829.db2.gz BMCHOYSTUCLAAE-MRXNPFEDSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939879 711442749 /nfs/dbraw/zinc/44/27/49/711442749.db2.gz PUABAPJUAYDABX-DJIMGWMZSA-N 2 0 333.480 1.149 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001034940644 711444608 /nfs/dbraw/zinc/44/46/08/711444608.db2.gz GMHGVUGXRVHHJP-QZTJIDSGSA-N 2 0 328.460 1.504 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)C2 ZINC000922391594 711456358 /nfs/dbraw/zinc/45/63/58/711456358.db2.gz WVYRJPUBSLCETN-GQJXAQPLSA-N 2 0 339.505 1.766 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@H]1C(C)C ZINC000922395579 711469047 /nfs/dbraw/zinc/46/90/47/711469047.db2.gz UAQIZZKNJMXOLM-KONPQCLYSA-N 2 0 334.464 1.445 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001004145193 711554107 /nfs/dbraw/zinc/55/41/07/711554107.db2.gz GVHFDWPNWPWSIN-UHFFFAOYSA-N 2 0 343.431 1.399 20 0 EDADRP Cc1nccn1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001004160365 711586060 /nfs/dbraw/zinc/58/60/60/711586060.db2.gz LVEYAZNAHQKBAB-MRXNPFEDSA-N 2 0 334.464 1.589 20 0 EDADRP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946623158 711921823 /nfs/dbraw/zinc/92/18/23/711921823.db2.gz FHNNGYDLIFEXAK-SCTDSRPQSA-N 2 0 349.519 1.556 20 0 EDADRP O=C([C@@H]1CCCc2nc[nH]c21)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004543447 711954300 /nfs/dbraw/zinc/95/43/00/711954300.db2.gz PGYSLLPJRRYNQQ-WBVHZDCISA-N 2 0 346.475 1.525 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616954 712076826 /nfs/dbraw/zinc/07/68/26/712076826.db2.gz NICLKFUQUPEJDO-NVXWUHKLSA-N 2 0 347.463 1.224 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552946 214133542 /nfs/dbraw/zinc/13/35/42/214133542.db2.gz KFAJMFXZSTZCHB-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000129861396 282129381 /nfs/dbraw/zinc/12/93/81/282129381.db2.gz ZSCOIRUNRIYVFR-KRWDZBQOSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000332279120 282148250 /nfs/dbraw/zinc/14/82/50/282148250.db2.gz QYYCRZFINYVRIP-DLBZAZTESA-N 2 0 337.489 1.653 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000262119973 282148297 /nfs/dbraw/zinc/14/82/97/282148297.db2.gz VMWBUOHWNLLGMD-CQSZACIVSA-N 2 0 325.478 1.416 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173943082 231076508 /nfs/dbraw/zinc/07/65/08/231076508.db2.gz GKNFLZXXIYLSJW-HUUCEWRRSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)C1 ZINC000377697915 282198085 /nfs/dbraw/zinc/19/80/85/282198085.db2.gz IDYAWOPIEMEHDM-BPQIPLTHSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCC[C@H]3C[NH3+])ccc21 ZINC000415443290 282225884 /nfs/dbraw/zinc/22/58/84/282225884.db2.gz HKSVXWMFYRPQAS-RRQGHBQHSA-N 2 0 344.459 1.418 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000559147527 306250936 /nfs/dbraw/zinc/25/09/36/306250936.db2.gz NMQVWMGGMRFKLL-UHFFFAOYSA-N 2 0 346.475 1.482 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000560747008 306278440 /nfs/dbraw/zinc/27/84/40/306278440.db2.gz JDUZTOFADZPRPO-IRXDYDNUSA-N 2 0 337.533 1.899 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000561145624 306282775 /nfs/dbraw/zinc/28/27/75/306282775.db2.gz ZTQYSKKREHDSSY-KRWDZBQOSA-N 2 0 332.448 1.070 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)N[C@H](C[NH3+])C2CC2)c2ccccc2)CC1 ZINC000561155660 306283014 /nfs/dbraw/zinc/28/30/14/306283014.db2.gz INWAMVRMNMAHLJ-MSOLQXFVSA-N 2 0 345.491 1.012 20 0 EDADRP COc1ccccc1CN1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000561203605 306284506 /nfs/dbraw/zinc/28/45/06/306284506.db2.gz DWJCNNTUVQWMML-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1C ZINC000333693248 539643278 /nfs/dbraw/zinc/64/32/78/539643278.db2.gz CRKYJEUVLHUXLX-KLZNWCGWSA-N 2 0 348.495 1.372 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1)CC(C)C ZINC000561234537 306284957 /nfs/dbraw/zinc/28/49/57/306284957.db2.gz GDNYKDIPQBCWBF-HOTGVXAUSA-N 2 0 340.512 1.056 20 0 EDADRP CC(C)(O)[C@@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2C(C)(C)O)COC1 ZINC000248410283 539686929 /nfs/dbraw/zinc/68/69/29/539686929.db2.gz DBNHFLRNNVGKDA-HOTGVXAUSA-N 2 0 340.508 1.474 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000150764537 539712552 /nfs/dbraw/zinc/71/25/52/539712552.db2.gz LEGHSICLAQHLSC-INIZCTEOSA-N 2 0 340.512 1.374 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000342983268 539770149 /nfs/dbraw/zinc/77/01/49/539770149.db2.gz ASBHPFLXEYYPNI-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000343018151 539776742 /nfs/dbraw/zinc/77/67/42/539776742.db2.gz VRHGIECXXRLNNV-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000562428023 306298409 /nfs/dbraw/zinc/29/84/09/306298409.db2.gz PTTMODPKYUGDOI-RBUKOAKNSA-N 2 0 347.503 1.088 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+](C)C(C)C)c2)[N@H+](C)C1 ZINC000347020475 539862040 /nfs/dbraw/zinc/86/20/40/539862040.db2.gz YGQRJMQPHASJME-ROUUACIJSA-N 2 0 333.476 1.862 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562806955 306309667 /nfs/dbraw/zinc/30/96/67/306309667.db2.gz UKLHRBKHJBZGDN-QGZVFWFLSA-N 2 0 345.491 1.939 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+](C)C ZINC000562810243 306310065 /nfs/dbraw/zinc/31/00/65/306310065.db2.gz BWORGNZBCRLRLM-BQFCYCMXSA-N 2 0 347.507 1.271 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000479547372 539984303 /nfs/dbraw/zinc/98/43/03/539984303.db2.gz NXLWSSLLSAUIPC-HNNXBMFYSA-N 2 0 348.491 1.824 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000562839298 306311046 /nfs/dbraw/zinc/31/10/46/306311046.db2.gz LGIHTQDPEXLOQM-WSTZPKSXSA-N 3 0 347.503 1.956 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2ccccc2C1 ZINC000562881214 306311790 /nfs/dbraw/zinc/31/17/90/306311790.db2.gz HCNZZVZUGBYCQE-SFHVURJKSA-N 2 0 331.460 1.526 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CCC([NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000563559345 306338911 /nfs/dbraw/zinc/33/89/11/306338911.db2.gz YEUHDJKBWTUAKW-SFHVURJKSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000563561395 306338964 /nfs/dbraw/zinc/33/89/64/306338964.db2.gz JBMYGCBMAPPJGT-RKVPGOIHSA-N 2 0 330.476 1.730 20 0 EDADRP C[C@@H](NC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)(C)C[NH+](C)C ZINC000085424186 138270678 /nfs/dbraw/zinc/27/06/78/138270678.db2.gz NNIAGOPVQGPVRE-OAHLLOKOSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000079167711 138260768 /nfs/dbraw/zinc/26/07/68/138260768.db2.gz LIAALUAGZIJIFH-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP Cn1nccc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000091073698 138281744 /nfs/dbraw/zinc/28/17/44/138281744.db2.gz YCJOCWXVGRTQML-UHFFFAOYSA-N 2 0 347.507 1.624 20 0 EDADRP C[C@H](NC(=O)C(=O)Nc1ccc2c(c1)CN(C)C2)C(C)(C)C[NH+](C)C ZINC000133186672 138389373 /nfs/dbraw/zinc/38/93/73/138389373.db2.gz KNIGJLGBOCUVKK-ZDUSSCGKSA-N 2 0 346.475 1.663 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000563670593 306344440 /nfs/dbraw/zinc/34/44/40/306344440.db2.gz OFIITKJCDXRJBR-QZTJIDSGSA-N 2 0 349.450 1.660 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@H](C)CS(C)(=O)=O ZINC000344171094 283259725 /nfs/dbraw/zinc/25/97/25/283259725.db2.gz PDMYCLGQRRTKHR-INIZCTEOSA-N 2 0 333.542 1.017 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCCC[C@@H]1[C@@H](C)C[NH+](C)C ZINC000641624846 452144980 /nfs/dbraw/zinc/14/49/80/452144980.db2.gz OTSJFHYDWZYTGH-JKSUJKDBSA-N 2 0 333.542 1.710 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000565029103 306373200 /nfs/dbraw/zinc/37/32/00/306373200.db2.gz WMZSDUFNGDABLA-GJZGRUSLSA-N 2 0 344.459 1.401 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000565575992 306386635 /nfs/dbraw/zinc/38/66/35/306386635.db2.gz QOWMIYCQTXUERO-UYAOXDASSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000414195384 304105358 /nfs/dbraw/zinc/10/53/58/304105358.db2.gz OAMCOTOBZBXNKW-IAGOWNOFSA-N 2 0 325.497 1.330 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000289973301 201338077 /nfs/dbraw/zinc/33/80/77/201338077.db2.gz QFTUIQPUJPRVRP-IEBWSBKVSA-N 2 0 344.503 1.309 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000565834039 306392961 /nfs/dbraw/zinc/39/29/61/306392961.db2.gz UGZNKDXGSYKPSR-MSOLQXFVSA-N 2 0 331.460 1.417 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2)(N2CCOCC2)CC1 ZINC000414485083 304118533 /nfs/dbraw/zinc/11/85/33/304118533.db2.gz OUJOUUIWXOJKJZ-UHFFFAOYSA-N 2 0 339.430 1.851 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000414695469 304128355 /nfs/dbraw/zinc/12/83/55/304128355.db2.gz GMHXUNDCEPKOLX-VBNZEHGJSA-N 2 0 330.432 1.388 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(CC[NH2+]C(C)(C)C)CC2)C1 ZINC000414696383 304128873 /nfs/dbraw/zinc/12/88/73/304128873.db2.gz PGQYQJWZKWAVSA-QGZVFWFLSA-N 2 0 326.529 1.101 20 0 EDADRP Cc1ccccc1OCCC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414699505 304129241 /nfs/dbraw/zinc/12/92/41/304129241.db2.gz ILFYUNYQYVRVNO-QGZVFWFLSA-N 2 0 333.476 1.893 20 0 EDADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703104 304129808 /nfs/dbraw/zinc/12/98/08/304129808.db2.gz LRWKSRSQWLFQQO-OAHLLOKOSA-N 2 0 337.439 1.724 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000414733797 304134418 /nfs/dbraw/zinc/13/44/18/304134418.db2.gz DSGNYKCWXSPTAK-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP CCc1ccc([C@H]2C[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)cc1 ZINC000414759662 304137848 /nfs/dbraw/zinc/13/78/48/304137848.db2.gz WQWCLRFXQKMPQP-PKOBYXMFSA-N 2 0 345.487 1.820 20 0 EDADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414777814 304139837 /nfs/dbraw/zinc/13/98/37/304139837.db2.gz HMAQDSQDNDJVMF-OAHLLOKOSA-N 2 0 334.464 1.297 20 0 EDADRP COc1cc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc2c1OCO2 ZINC000414783940 304140579 /nfs/dbraw/zinc/14/05/79/304140579.db2.gz HXAXBGIJQZJINU-PBHICJAKSA-N 2 0 334.416 1.752 20 0 EDADRP Oc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1Br ZINC000414804398 304142647 /nfs/dbraw/zinc/14/26/47/304142647.db2.gz XPQRVDQCAQUNFI-UHFFFAOYSA-N 2 0 328.254 1.540 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566668352 306424055 /nfs/dbraw/zinc/42/40/55/306424055.db2.gz JOTZFGPIKLNACV-LMMKCTJWSA-N 2 0 342.487 1.905 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414829831 304145667 /nfs/dbraw/zinc/14/56/67/304145667.db2.gz LGJKKTVZVMBIHK-MRXNPFEDSA-N 2 0 332.448 1.465 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000072280718 203190453 /nfs/dbraw/zinc/19/04/53/203190453.db2.gz RSQQPIQJTVARGY-HNNXBMFYSA-N 2 0 333.480 1.900 20 0 EDADRP CC(=O)Nc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414995898 304149454 /nfs/dbraw/zinc/14/94/54/304149454.db2.gz WQFRTGUSBYAAHI-HNNXBMFYSA-N 2 0 344.381 1.571 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1cccc(-n2cccn2)c1 ZINC000415075472 304157626 /nfs/dbraw/zinc/15/76/26/304157626.db2.gz BNNRHNDCMNIWFF-CVEARBPZSA-N 2 0 341.459 1.720 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000415080321 304158151 /nfs/dbraw/zinc/15/81/51/304158151.db2.gz JISPLHOHRVFRGZ-SFHVURJKSA-N 3 0 338.540 1.531 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415092641 304159314 /nfs/dbraw/zinc/15/93/14/304159314.db2.gz UBHQZPKDRRRCPA-MOPGFXCFSA-N 3 0 344.503 1.473 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000418753930 284245112 /nfs/dbraw/zinc/24/51/12/284245112.db2.gz HRLGZQKTRFTSPM-AWEZNQCLSA-N 2 0 330.423 1.644 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000415119701 304161343 /nfs/dbraw/zinc/16/13/43/304161343.db2.gz KTPHQKAYUBNKMP-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000104145624 204099249 /nfs/dbraw/zinc/09/92/49/204099249.db2.gz CZXVOFGWSGIKIF-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000415120955 304161761 /nfs/dbraw/zinc/16/17/61/304161761.db2.gz GVAXBCINCIGUFP-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000107370277 204234935 /nfs/dbraw/zinc/23/49/35/204234935.db2.gz YEJSTHIMOFRLHV-ROUUACIJSA-N 2 0 333.476 1.138 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[NH+](C)C ZINC000112294022 204389999 /nfs/dbraw/zinc/38/99/99/204389999.db2.gz MMMKPZJNHHPJGO-QGZVFWFLSA-N 2 0 348.491 1.180 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415142050 304164099 /nfs/dbraw/zinc/16/40/99/304164099.db2.gz QPCOYAUDTGUPKG-ZSKSOVMSSA-N 2 0 340.471 1.920 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000236951986 139036289 /nfs/dbraw/zinc/03/62/89/139036289.db2.gz AURWMYZQJYOYMX-PBHICJAKSA-N 2 0 333.480 1.213 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000236959848 139036548 /nfs/dbraw/zinc/03/65/48/139036548.db2.gz NWCRBCCSZJHQOG-GOSISDBHSA-N 2 0 330.476 1.050 20 0 EDADRP CN(C(=O)[C@H]1CC[C@@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000237287280 139046593 /nfs/dbraw/zinc/04/65/93/139046593.db2.gz QRHYCGBPJIYWGY-JKSUJKDBSA-N 2 0 330.476 1.674 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CCC([N@H+](C)CCCO)CC1 ZINC000115548213 205054174 /nfs/dbraw/zinc/05/41/74/205054174.db2.gz ZMDDVXPPCYGANV-IAGOWNOFSA-N 2 0 339.524 1.945 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000157280147 205186527 /nfs/dbraw/zinc/18/65/27/205186527.db2.gz FUKFSPSZEDEWPW-NVXWUHKLSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000129780911 205209750 /nfs/dbraw/zinc/20/97/50/205209750.db2.gz PMMMJTDHFZKXPI-INIZCTEOSA-N 2 0 348.491 1.720 20 0 EDADRP C[C@]1(C(=O)NCc2ccccc2CN2CCOCC2)CCCC[NH2+]1 ZINC000237568109 139054446 /nfs/dbraw/zinc/05/44/46/139054446.db2.gz VHUKRGMIGDGHMK-LJQANCHMSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@@H]1CN(Cc2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000237628652 139056316 /nfs/dbraw/zinc/05/63/16/139056316.db2.gz RYUCVPIQUNQVBK-QWQRMKEZSA-N 2 0 331.460 1.763 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000237900157 139063230 /nfs/dbraw/zinc/06/32/30/139063230.db2.gz VTFUBJSBWXRHDI-ZWKOTPCHSA-N 2 0 331.460 1.653 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000237845405 139061726 /nfs/dbraw/zinc/06/17/26/139061726.db2.gz BSUUPFRJABLFBM-GJZGRUSLSA-N 2 0 325.522 1.982 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCC[C@@H]1C ZINC000111805291 220193603 /nfs/dbraw/zinc/19/36/03/220193603.db2.gz WHFDKLOCZIDKGN-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)S(C)(=O)=O ZINC000567682638 306459046 /nfs/dbraw/zinc/45/90/46/306459046.db2.gz YODJKLOPJUTDKB-ZDUSSCGKSA-N 2 0 330.519 1.983 20 0 EDADRP Cc1ccc(NC(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c(C)n1 ZINC000415284294 304185377 /nfs/dbraw/zinc/18/53/77/304185377.db2.gz OWMMIGUEPCKYTD-CQSZACIVSA-N 2 0 333.436 1.550 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000158876087 206213764 /nfs/dbraw/zinc/21/37/64/206213764.db2.gz OYFRUMBCQAYYCY-QGZVFWFLSA-N 2 0 345.491 1.052 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCN3CCOCC3(C)C)CC[C@H]21 ZINC000246554267 139112711 /nfs/dbraw/zinc/11/27/11/139112711.db2.gz BDNHGISRAPFIFG-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000246921408 139127014 /nfs/dbraw/zinc/12/70/14/139127014.db2.gz GJYJVMRHQNIOPQ-HLLBOEOZSA-N 2 0 339.505 1.592 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000415388931 304211481 /nfs/dbraw/zinc/21/14/81/304211481.db2.gz SJHCMPWWWKQHGR-CQSZACIVSA-N 2 0 346.475 1.315 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1CC[NH+](CCO)CC1 ZINC000248141979 139158743 /nfs/dbraw/zinc/15/87/43/139158743.db2.gz PSQQVKHFWNDPIM-FXAWDEMLSA-N 2 0 346.519 1.586 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000248398043 139161965 /nfs/dbraw/zinc/16/19/65/139161965.db2.gz MMJBRDLWLHZFJL-QZTJIDSGSA-N 2 0 332.492 1.432 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000248921883 139180792 /nfs/dbraw/zinc/18/07/92/139180792.db2.gz WTAHZMRIPROUPK-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000112206445 220261532 /nfs/dbraw/zinc/26/15/32/220261532.db2.gz LPNOWDNXZROZRQ-OAHLLOKOSA-N 2 0 325.522 1.949 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112212976 220262930 /nfs/dbraw/zinc/26/29/30/220262930.db2.gz KBBNEUDKHUAEPV-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@]1(C)C(N)=O)c1ccccc1 ZINC000249285935 139190470 /nfs/dbraw/zinc/19/04/70/139190470.db2.gz IOKVMXWXTSZMBI-VQIMIIECSA-N 2 0 346.475 1.135 20 0 EDADRP CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249458092 139193561 /nfs/dbraw/zinc/19/35/61/139193561.db2.gz PZGSAYLEDYQPOS-ZWKOTPCHSA-N 2 0 335.492 1.744 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000249762424 139198291 /nfs/dbraw/zinc/19/82/91/139198291.db2.gz MHAXDGRRCRGDKV-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411524465 250567511 /nfs/dbraw/zinc/56/75/11/250567511.db2.gz AWDCXEYBBZJVIU-KGLIPLIRSA-N 2 0 327.469 1.153 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261645240 139214123 /nfs/dbraw/zinc/21/41/23/139214123.db2.gz IZOIHURTUKIRPM-FUHWJXTLSA-N 2 0 331.460 1.775 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1C[NH+](C)C ZINC000415454970 304222409 /nfs/dbraw/zinc/22/24/09/304222409.db2.gz VPVUOPNTXNOEQL-GOEBONIOSA-N 2 0 346.475 1.581 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261831630 139229905 /nfs/dbraw/zinc/22/99/05/139229905.db2.gz QAMRBLQDVDGYBH-MOPGFXCFSA-N 2 0 345.487 1.911 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000261854527 139231588 /nfs/dbraw/zinc/23/15/88/139231588.db2.gz JSVRJGLIRXZRBZ-SZMVWBNQSA-N 2 0 326.444 1.781 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000261894204 139234894 /nfs/dbraw/zinc/23/48/94/139234894.db2.gz VODBMXOPBWDZAP-SJORKVTESA-N 2 0 345.491 1.180 20 0 EDADRP C[C@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000261899743 139235279 /nfs/dbraw/zinc/23/52/79/139235279.db2.gz UWIFZKWAJUYURK-BBRMVZONSA-N 2 0 332.448 1.529 20 0 EDADRP C[C@H]([NH3+])CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261886540 139234070 /nfs/dbraw/zinc/23/40/70/139234070.db2.gz VHVPYEVPXLDWOZ-YJBOKZPZSA-N 2 0 333.476 1.628 20 0 EDADRP CN(C(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000261911471 139236383 /nfs/dbraw/zinc/23/63/83/139236383.db2.gz XPIFACOKWNAZSG-DOTOQJQBSA-N 2 0 333.480 1.323 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000261959576 139240023 /nfs/dbraw/zinc/24/00/23/139240023.db2.gz OMMVKHMISUEZBI-ZDUSSCGKSA-N 2 0 325.840 1.506 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000261999471 139242833 /nfs/dbraw/zinc/24/28/33/139242833.db2.gz UXTCZFFUSWUGAP-CYBMUJFWSA-N 2 0 325.840 1.506 20 0 EDADRP CCc1ccc([C@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000262012810 139243890 /nfs/dbraw/zinc/24/38/90/139243890.db2.gz FNRRCRQPLBODCT-WMZOPIPTSA-N 2 0 348.491 1.067 20 0 EDADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110087 139251686 /nfs/dbraw/zinc/25/16/86/139251686.db2.gz KEKLWSWIMGTDBV-QUCCMNQESA-N 2 0 345.487 1.724 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCOCC2(C)C)C1 ZINC000174691727 207046012 /nfs/dbraw/zinc/04/60/12/207046012.db2.gz LLPLIWUJALWCJK-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000175028379 207086199 /nfs/dbraw/zinc/08/61/99/207086199.db2.gz HERYLWDNEVPJII-KRWDZBQOSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000415977348 251043249 /nfs/dbraw/zinc/04/32/49/251043249.db2.gz XNLJTIUAIILBBS-KRWDZBQOSA-N 2 0 334.464 1.764 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[N@H+](C)Cc2ccccc2)[C@H](C[NH3+])C1 ZINC000416874328 251114179 /nfs/dbraw/zinc/11/41/79/251114179.db2.gz PMKFGYQBQMUPIX-ZWKOTPCHSA-N 2 0 348.491 1.656 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417008779 251128146 /nfs/dbraw/zinc/12/81/46/251128146.db2.gz MRJVQLCJNAIBLK-BMFZPTHFSA-N 2 0 326.485 1.255 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000417012344 251129958 /nfs/dbraw/zinc/12/99/58/251129958.db2.gz XCUHOHTXLJBXNS-CABCVRRESA-N 2 0 340.493 1.419 20 0 EDADRP [NH3+]CCCCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417018512 251135026 /nfs/dbraw/zinc/13/50/26/251135026.db2.gz KDBZLHTVBGOIBD-UHFFFAOYSA-N 2 0 333.480 1.237 20 0 EDADRP CC[NH2+]CCNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417026104 251139323 /nfs/dbraw/zinc/13/93/23/251139323.db2.gz RZGAFCALASDNKK-UHFFFAOYSA-N 2 0 347.507 1.103 20 0 EDADRP COCC1(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000262330152 139270752 /nfs/dbraw/zinc/27/07/52/139270752.db2.gz FFCZEHBOIYLTQA-QGZVFWFLSA-N 2 0 339.524 1.875 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000417389604 251161153 /nfs/dbraw/zinc/16/11/53/251161153.db2.gz PSSCJTRBDQXMRJ-INIZCTEOSA-N 2 0 339.528 1.362 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417535428 251185264 /nfs/dbraw/zinc/18/52/64/251185264.db2.gz BYNBEUZMZXJGPZ-HNNXBMFYSA-N 2 0 340.512 1.565 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417435467 251172470 /nfs/dbraw/zinc/17/24/70/251172470.db2.gz BMAOUENCPTYBPL-HOCLYGCPSA-N 2 0 326.485 1.256 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417574514 251194497 /nfs/dbraw/zinc/19/44/97/251194497.db2.gz ZECSTNVWTDXGNV-OKZBNKHCSA-N 2 0 346.475 1.152 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417596322 251202155 /nfs/dbraw/zinc/20/21/55/251202155.db2.gz ZUBWYRUHLRUEBD-LPHOPBHVSA-N 2 0 330.476 1.902 20 0 EDADRP CN(C)[C@H](CNC(=O)N1CC[C@](C)(C[NH3+])C1)c1c(F)cccc1F ZINC000417662450 251216880 /nfs/dbraw/zinc/21/68/80/251216880.db2.gz RVZVZNUQHGTLCN-RHSMWYFYSA-N 2 0 340.418 1.948 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)[C@H](C)C1 ZINC000417666377 251219351 /nfs/dbraw/zinc/21/93/51/251219351.db2.gz CQKIIKLKBOHHOD-HUUCEWRRSA-N 2 0 326.485 1.304 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH2+]C)[C@H](C)C1 ZINC000417666389 251219422 /nfs/dbraw/zinc/21/94/22/251219422.db2.gz CRIGRHLNLCEKFQ-OAGGEKHMSA-N 2 0 328.501 1.278 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)CC1 ZINC000262439609 139279143 /nfs/dbraw/zinc/27/91/43/139279143.db2.gz CPBUJBVHPXEVNJ-QZTJIDSGSA-N 2 0 331.460 1.258 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000417686548 251228194 /nfs/dbraw/zinc/22/81/94/251228194.db2.gz UAZAMDPTHWRFEP-HNNXBMFYSA-N 2 0 338.496 1.448 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417764285 251261425 /nfs/dbraw/zinc/26/14/25/251261425.db2.gz LTDDWGVSDWUBDK-MRXNPFEDSA-N 2 0 339.528 1.363 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417730182 251247357 /nfs/dbraw/zinc/24/73/57/251247357.db2.gz DEOXLUXCZFBHOX-UHFFFAOYSA-N 2 0 332.492 1.712 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262448847 139279726 /nfs/dbraw/zinc/27/97/26/139279726.db2.gz UKKURIZAIAYTIK-ROUUACIJSA-N 2 0 344.503 1.703 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]([NH3+])c2ccccc2CC)C1(C)C ZINC000417827083 251286504 /nfs/dbraw/zinc/28/65/04/251286504.db2.gz FGMMDQRHGXAHCQ-MDZRGWNJSA-N 2 0 333.476 1.898 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417841125 251294342 /nfs/dbraw/zinc/29/43/42/251294342.db2.gz SMQPYPXOMHJVGD-RHSMWYFYSA-N 2 0 341.459 1.869 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000417785198 251268812 /nfs/dbraw/zinc/26/88/12/251268812.db2.gz BOEIGKHZBWPZQR-KRWDZBQOSA-N 2 0 339.528 1.184 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000417811196 251278217 /nfs/dbraw/zinc/27/82/17/251278217.db2.gz DDAODHTXCUNEHT-HOTGVXAUSA-N 2 0 347.507 1.762 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417816056 251281024 /nfs/dbraw/zinc/28/10/24/251281024.db2.gz BZKYFBJIIMECEF-BQFCYCMXSA-N 2 0 330.476 1.900 20 0 EDADRP C[N@H+](CCNC(=O)NCC1(C)CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000417817763 251282354 /nfs/dbraw/zinc/28/23/54/251282354.db2.gz DXJKOKRMQXUTGD-UHFFFAOYSA-N 2 0 336.455 1.946 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000417821246 251283227 /nfs/dbraw/zinc/28/32/27/251283227.db2.gz IHPOUYVVWNBBTO-HYVNUMGLSA-N 2 0 339.443 1.444 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000418106147 251322872 /nfs/dbraw/zinc/32/28/72/251322872.db2.gz MQTCUSBPNLVASB-WJFTUGDTSA-N 2 0 342.487 1.887 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CCCO1 ZINC000418109419 251325553 /nfs/dbraw/zinc/32/55/53/251325553.db2.gz CSOZWMODJRRWNP-BZUAXINKSA-N 2 0 326.485 1.304 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000418122873 251335035 /nfs/dbraw/zinc/33/50/35/251335035.db2.gz YCXYPKQQRDNBAZ-CABCVRRESA-N 2 0 329.448 1.463 20 0 EDADRP COCC1(CNC(=O)NCC[NH2+]C2CCCCCC2)CC[NH2+]CC1 ZINC000418437536 251370405 /nfs/dbraw/zinc/37/04/05/251370405.db2.gz DDSUTXHJQXRCJR-UHFFFAOYSA-N 2 0 340.512 1.614 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418345333 251362249 /nfs/dbraw/zinc/36/22/49/251362249.db2.gz SRTWZMVHPWVPTQ-QGZVFWFLSA-N 2 0 333.480 1.543 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418719835 251397192 /nfs/dbraw/zinc/39/71/92/251397192.db2.gz LEDVQIMZTJIXIR-JKSUJKDBSA-N 2 0 339.528 1.171 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418726373 251398642 /nfs/dbraw/zinc/39/86/42/251398642.db2.gz CRMJHYQYVAGIIE-HRCADAONSA-N 2 0 326.485 1.256 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000418738303 251403571 /nfs/dbraw/zinc/40/35/71/251403571.db2.gz XAWRCNUBHZFECJ-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP Cc1cc(NC(=O)[C@H](C)[NH3+])n([C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000262577499 139287834 /nfs/dbraw/zinc/28/78/34/139287834.db2.gz PATDZNFWGTZGMB-GOEBONIOSA-N 2 0 327.432 1.924 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000418751787 251411295 /nfs/dbraw/zinc/41/12/95/251411295.db2.gz RQNOIEVXHIAJEL-KGLIPLIRSA-N 2 0 344.381 1.725 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262553024 139286091 /nfs/dbraw/zinc/28/60/91/139286091.db2.gz ZMJGGPKOCXCJMY-KBPBESRZSA-N 2 0 332.448 1.434 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418626040 251380662 /nfs/dbraw/zinc/38/06/62/251380662.db2.gz KQFTXYJBTGZRKN-DOTOQJQBSA-N 2 0 333.480 1.685 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418687083 251385451 /nfs/dbraw/zinc/38/54/51/251385451.db2.gz LHETXLKGJKPYPH-NJAFHUGGSA-N 2 0 348.491 1.296 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000420662899 251743496 /nfs/dbraw/zinc/74/34/96/251743496.db2.gz BXPXFGNLGZDOIE-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262841813 139307260 /nfs/dbraw/zinc/30/72/60/139307260.db2.gz RIDURLGQCQIULO-FUHWJXTLSA-N 2 0 341.459 1.840 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1OC ZINC000422886392 252011640 /nfs/dbraw/zinc/01/16/40/252011640.db2.gz WPXGCYMWACGIBT-GOEBONIOSA-N 2 0 349.475 1.688 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000422899366 252016394 /nfs/dbraw/zinc/01/63/94/252016394.db2.gz HHJZVXKSXLLWSB-VQIMIIECSA-N 2 0 335.492 1.751 20 0 EDADRP COCCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422867636 252004629 /nfs/dbraw/zinc/00/46/29/252004629.db2.gz SQKVDCPIHKASRY-IPMKNSEASA-N 2 0 334.460 1.959 20 0 EDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(S(=O)(=O)NCc2ccco2)cc1 ZINC000423174583 252042955 /nfs/dbraw/zinc/04/29/55/252042955.db2.gz BDYQZOFBRJDGBV-ZDUSSCGKSA-N 2 0 337.445 1.758 20 0 EDADRP CC(C)[C@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H](C)[NH3+] ZINC000423357610 252052885 /nfs/dbraw/zinc/05/28/85/252052885.db2.gz MJZYVBKHGQEHHG-PBHICJAKSA-N 2 0 348.491 1.214 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423515387 252058522 /nfs/dbraw/zinc/05/85/22/252058522.db2.gz NDFHCNZSAHWGHC-MHTWAQMVSA-N 2 0 342.531 1.923 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)[NH+](CC)CC ZINC000423993923 252110405 /nfs/dbraw/zinc/11/04/05/252110405.db2.gz BJZPROGSNPVNNR-GVDBMIGSSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424004284 252112357 /nfs/dbraw/zinc/11/23/57/252112357.db2.gz FDYIPKXHPORKPE-MSOLQXFVSA-N 2 0 344.503 1.642 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[C@H](C)[NH3+] ZINC000423791142 252075252 /nfs/dbraw/zinc/07/52/52/252075252.db2.gz GYDNUUWLQHMGBF-SZMVWBNQSA-N 2 0 332.492 1.981 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000423792548 252076803 /nfs/dbraw/zinc/07/68/03/252076803.db2.gz ZHLGZEAUNBIHMK-HNNXBMFYSA-N 2 0 336.484 1.397 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424135273 252138883 /nfs/dbraw/zinc/13/88/83/252138883.db2.gz OTEJSAAZTANMNM-JKSUJKDBSA-N 2 0 345.491 1.588 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424130326 252134364 /nfs/dbraw/zinc/13/43/64/252134364.db2.gz DZPTVBDJDQQAHM-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000424440667 252231608 /nfs/dbraw/zinc/23/16/08/252231608.db2.gz VGMALAXKCHKNHW-MSOLQXFVSA-N 2 0 346.475 1.953 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424474469 252245015 /nfs/dbraw/zinc/24/50/15/252245015.db2.gz XOQDZPGAFPCZLO-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000424479090 252248300 /nfs/dbraw/zinc/24/83/00/252248300.db2.gz NWUHLOTVFPJQRA-INIZCTEOSA-N 2 0 340.512 1.646 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000365781276 285015652 /nfs/dbraw/zinc/01/56/52/285015652.db2.gz CLWXOTSFCQZNEC-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CC2)C[C@@H](C)C1 ZINC000458372315 285033500 /nfs/dbraw/zinc/03/35/00/285033500.db2.gz QQRZAENPBGHPOZ-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C(C)C)CC1 ZINC000349912900 285033545 /nfs/dbraw/zinc/03/35/45/285033545.db2.gz GPPUXITXYHSKDU-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180216946 207746174 /nfs/dbraw/zinc/74/61/74/207746174.db2.gz CEPSAAVWBVWFJC-AWEZNQCLSA-N 2 0 345.447 1.431 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000263197775 139327849 /nfs/dbraw/zinc/32/78/49/139327849.db2.gz IPZHJXZNCRTGCO-GXTWGEPZSA-N 2 0 340.349 1.561 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000263365149 139338191 /nfs/dbraw/zinc/33/81/91/139338191.db2.gz VSSOYBMGPVTIBX-QAPCUYQASA-N 2 0 331.460 1.788 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)[C@@H]1C[NH3+] ZINC000361956777 296383269 /nfs/dbraw/zinc/38/32/69/296383269.db2.gz ACTXYGBHEALDLC-NVXWUHKLSA-N 2 0 333.480 1.568 20 0 EDADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H](C[NH3+])OC)ccc21 ZINC000570329637 306537578 /nfs/dbraw/zinc/53/75/78/306537578.db2.gz SRTHOYSVCURFTL-KRWDZBQOSA-N 2 0 332.448 1.895 20 0 EDADRP O=C1O[C@@]2(CN1CN1CC[C@H]([NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000495860174 296411227 /nfs/dbraw/zinc/41/12/27/296411227.db2.gz XGAIHJANMLMJQI-FUHWJXTLSA-N 2 0 334.464 1.031 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCCO1 ZINC000337581026 285242855 /nfs/dbraw/zinc/24/28/55/285242855.db2.gz NUAYREZRRGJAIE-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1O ZINC000427103219 285250077 /nfs/dbraw/zinc/25/00/77/285250077.db2.gz VDDJIXAQSULJKJ-OAHLLOKOSA-N 2 0 334.464 1.584 20 0 EDADRP C[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)NC(=O)OC(C)(C)C ZINC000492606178 255182911 /nfs/dbraw/zinc/18/29/11/255182911.db2.gz CXFIJRSYADFBOD-OAHLLOKOSA-N 2 0 341.496 1.944 20 0 EDADRP O=C(/C=C/c1ncc[nH]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493149375 255193528 /nfs/dbraw/zinc/19/35/28/255193528.db2.gz KCMQGQUEJZZETB-NSCUHMNNSA-N 2 0 340.431 1.146 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494718190 255259576 /nfs/dbraw/zinc/25/95/76/255259576.db2.gz NKHVAEBYBNBASY-DLBZAZTESA-N 2 0 325.497 1.772 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000415788592 304271454 /nfs/dbraw/zinc/27/14/54/304271454.db2.gz QPXZEGGZWQMLCW-CVEARBPZSA-N 2 0 344.459 1.206 20 0 EDADRP CN1C[C@@H](C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000495596911 255306891 /nfs/dbraw/zinc/30/68/91/255306891.db2.gz SOMIPKUFYUNABO-GOSISDBHSA-N 2 0 346.475 1.187 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418716556 285278287 /nfs/dbraw/zinc/27/82/87/285278287.db2.gz SDTWLFSOWGBMDK-KBPBESRZSA-N 3 0 349.470 1.026 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000263913001 139369344 /nfs/dbraw/zinc/36/93/44/139369344.db2.gz MMKSZLACFADVJD-INIZCTEOSA-N 2 0 332.448 1.137 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000415805927 304275931 /nfs/dbraw/zinc/27/59/31/304275931.db2.gz OJDOEJJXYVIXQQ-INIZCTEOSA-N 2 0 346.475 1.378 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179708750 285316151 /nfs/dbraw/zinc/31/61/51/285316151.db2.gz RXUBXJCHYIQZPG-SFHVURJKSA-N 2 0 346.519 1.651 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000264268942 139391940 /nfs/dbraw/zinc/39/19/40/139391940.db2.gz HCCNIAMNOFWNHN-KRWDZBQOSA-N 2 0 348.491 1.563 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271042269 140225927 /nfs/dbraw/zinc/22/59/27/140225927.db2.gz RFKMFLMMALBIMZ-IBGZPJMESA-N 2 0 345.487 1.715 20 0 EDADRP [NH3+][C@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[C@@H]1c1ccc(F)cc1 ZINC000332532471 141197412 /nfs/dbraw/zinc/19/74/12/141197412.db2.gz HPSUJAVYTIGBSV-NXOAAHMSSA-N 2 0 334.439 1.922 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000333125550 141268168 /nfs/dbraw/zinc/26/81/68/141268168.db2.gz HFCUEUFRVRGREU-MAUKXSAKSA-N 2 0 345.491 1.866 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)C2)C1 ZINC000333313862 141297476 /nfs/dbraw/zinc/29/74/76/141297476.db2.gz MBORKCPPNMVQRM-DNVCBOLYSA-N 2 0 343.475 1.847 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CC[NH+](C2CCC2)CC1 ZINC000333353216 141304090 /nfs/dbraw/zinc/30/40/90/141304090.db2.gz RQWFICWPSLZYKD-UHFFFAOYSA-N 2 0 330.432 1.871 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]2[C@H]2CCC[NH2+]C2)C1 ZINC000333374663 141307926 /nfs/dbraw/zinc/30/79/26/141307926.db2.gz MXSJVSNBKGUWGZ-YESZJQIVSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000333521248 141331121 /nfs/dbraw/zinc/33/11/21/141331121.db2.gz GRPAADYLNCAEOR-WMZOPIPTSA-N 2 0 343.475 1.691 20 0 EDADRP CCc1nc2n(n1)C[C@H]([NH2+]C1CCN(c3cc[nH+]cc3)CC1)CC2 ZINC000333695568 141360194 /nfs/dbraw/zinc/36/01/94/141360194.db2.gz COQDFLCNTNBEDT-OAHLLOKOSA-N 2 0 326.448 1.809 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000333739142 141370174 /nfs/dbraw/zinc/37/01/74/141370174.db2.gz XIIPKSCMVJWLSV-HOTGVXAUSA-N 2 0 338.496 1.543 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCCC[NH+]2CCCC2)ccn1 ZINC000342740489 142751531 /nfs/dbraw/zinc/75/15/31/142751531.db2.gz UZNFVTSABXJLKX-UHFFFAOYSA-N 2 0 349.479 1.307 20 0 EDADRP Cc1n[nH]c(C)c1[C@H](C)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000344823701 143016321 /nfs/dbraw/zinc/01/63/21/143016321.db2.gz HHZNRZGSNCQKGW-AWEZNQCLSA-N 2 0 337.512 1.862 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@@H+]1C ZINC000345013269 143039380 /nfs/dbraw/zinc/03/93/80/143039380.db2.gz QJSOBUQXFPYMIN-ZBFHGGJFSA-N 2 0 331.464 1.046 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000345294380 143074296 /nfs/dbraw/zinc/07/42/96/143074296.db2.gz BQNHUQZVJRGRHN-CABCVRRESA-N 2 0 331.464 1.046 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000345688426 143121662 /nfs/dbraw/zinc/12/16/62/143121662.db2.gz ILBWMAQOXXFABL-AWEZNQCLSA-N 2 0 329.391 1.616 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCCC2)cc1 ZINC000345713500 143124518 /nfs/dbraw/zinc/12/45/18/143124518.db2.gz NUMJPMSZFOLQDX-LSDHHAIUSA-N 2 0 341.402 1.931 20 0 EDADRP CSC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000345744316 143128006 /nfs/dbraw/zinc/12/80/06/143128006.db2.gz QYJOIOQPWSNTKR-UHFFFAOYSA-N 2 0 348.516 1.996 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347546226 143333528 /nfs/dbraw/zinc/33/35/28/143333528.db2.gz DNHMJHIAGVTSOQ-CQSZACIVSA-N 2 0 329.444 1.521 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3nc(C)ncc3C2)CC[NH2+]CC1 ZINC000573082326 306610885 /nfs/dbraw/zinc/61/08/85/306610885.db2.gz OQWPUEXWSUINAJ-XJKSGUPXSA-N 2 0 346.475 1.553 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000416822238 304350313 /nfs/dbraw/zinc/35/03/13/304350313.db2.gz VJBFAXRAIFOFFW-UHFFFAOYSA-N 2 0 339.528 1.234 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H](C)C1 ZINC000370646243 286061992 /nfs/dbraw/zinc/06/19/92/286061992.db2.gz QZXWEOPZNJHVSF-NJAFHUGGSA-N 2 0 337.508 1.581 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000352572314 149069540 /nfs/dbraw/zinc/06/95/40/149069540.db2.gz GNXNFACDDSEPAB-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP Cc1[nH+]ccc(NCCCC[NH+]2CCN(CCO)CC2)c1Cl ZINC000352849775 149189840 /nfs/dbraw/zinc/18/98/40/149189840.db2.gz PUNQMSCODIEQTK-UHFFFAOYSA-N 2 0 326.872 1.267 20 0 EDADRP CCOC1CC(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)C1 ZINC000352872339 149197934 /nfs/dbraw/zinc/19/79/34/149197934.db2.gz MIKLXBVRXCPSCW-AQFXKWCLSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@H]1[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCC[N@@H+]1C ZINC000353211728 149326945 /nfs/dbraw/zinc/32/69/45/149326945.db2.gz UKZHETVNYKEUSZ-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@H](C)O1 ZINC000416959886 304355340 /nfs/dbraw/zinc/35/53/40/304355340.db2.gz ZLHZYVDLIFENIT-QAETUUGQSA-N 2 0 340.512 1.550 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[NH+]1CCOCC1 ZINC000416964643 304356381 /nfs/dbraw/zinc/35/63/81/304356381.db2.gz WIISIGFRLNAARR-OIISXLGYSA-N 2 0 340.512 1.421 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000416972835 304358319 /nfs/dbraw/zinc/35/83/19/304358319.db2.gz ISZBPNIJVXLRAS-MAUKXSAKSA-N 2 0 330.476 1.682 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)C[C@H](C)O1 ZINC000416974948 304358802 /nfs/dbraw/zinc/35/88/02/304358802.db2.gz YFNPILBEECCAOF-GJZGRUSLSA-N 2 0 348.491 1.832 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000416974146 304358554 /nfs/dbraw/zinc/35/85/54/304358554.db2.gz WJHDURLOPCZLSO-RYQLBKOJSA-N 2 0 346.475 1.506 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC[NH+]2CC=C(C(C)(C)C)CC2)C1 ZINC000354892175 150014701 /nfs/dbraw/zinc/01/47/01/150014701.db2.gz FUUQZEMYGFDUNA-KRWDZBQOSA-N 2 0 337.508 1.890 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416980394 304360401 /nfs/dbraw/zinc/36/04/01/304360401.db2.gz TZYNAQIIFAOEAI-QGZVFWFLSA-N 2 0 333.480 1.719 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)C2C[NH2+]C2)cc1 ZINC000416981765 304361003 /nfs/dbraw/zinc/36/10/03/304361003.db2.gz DBWMZTWQJMPSFC-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417030077 304362559 /nfs/dbraw/zinc/36/25/59/304362559.db2.gz WCAFZHVRJXUHNL-QGZVFWFLSA-N 2 0 347.507 1.101 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000417040867 304365091 /nfs/dbraw/zinc/36/50/91/304365091.db2.gz PCWIFSBUBZTNCP-AEFFLSMTSA-N 2 0 346.475 1.311 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccccc2CC[NH+](C)C)[C@@H](C)C[N@@H+]1CCO ZINC000417040480 304365162 /nfs/dbraw/zinc/36/51/62/304365162.db2.gz XWHJXJIYCDMRQL-CVEARBPZSA-N 2 0 348.491 1.710 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417045105 304365777 /nfs/dbraw/zinc/36/57/77/304365777.db2.gz YVQLGWXWUSVWMZ-MGPQQGTHSA-N 2 0 332.439 1.651 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000357871348 151179331 /nfs/dbraw/zinc/17/93/31/151179331.db2.gz OFGBHVDRQPSXJD-NEWSRXKRSA-N 2 0 344.503 1.492 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357922784 151197901 /nfs/dbraw/zinc/19/79/01/151197901.db2.gz RIVBUODWTUKLFV-HZPDHXFCSA-N 2 0 327.517 1.040 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)CCN1CCOCC1)c1ccccc1 ZINC000358034054 151241349 /nfs/dbraw/zinc/24/13/49/151241349.db2.gz YHQBOFXVMKQXHD-FUHWJXTLSA-N 2 0 333.476 1.906 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358491439 151392955 /nfs/dbraw/zinc/39/29/55/151392955.db2.gz FFBPTNQUHVPBOK-PMPSAXMXSA-N 2 0 340.512 1.467 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)CCCC2)CC1 ZINC000358692056 151462786 /nfs/dbraw/zinc/46/27/86/151462786.db2.gz OMAXMDMAMJYNHB-HOTGVXAUSA-N 2 0 337.508 1.914 20 0 EDADRP CN1CCN(C(=O)C[NH2+][C@@H](Cc2ccccn2)c2ccccc2)CC1 ZINC000360700287 152160245 /nfs/dbraw/zinc/16/02/45/152160245.db2.gz BKXNQQNJVGXRKR-IBGZPJMESA-N 2 0 338.455 1.729 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417140401 304376977 /nfs/dbraw/zinc/37/69/77/304376977.db2.gz DRFUUMDYZXRCBE-UHFFFAOYSA-N 2 0 347.507 1.625 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000360739031 152177794 /nfs/dbraw/zinc/17/77/94/152177794.db2.gz QZDJCJGUWYYIEE-DOTOQJQBSA-N 2 0 340.537 1.694 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000360743693 152180838 /nfs/dbraw/zinc/18/08/38/152180838.db2.gz FYCHPTGPIJPVSQ-IJEWVQPXSA-N 2 0 328.526 1.548 20 0 EDADRP [NH3+][C@H]1CCN(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000417148591 304377972 /nfs/dbraw/zinc/37/79/72/304377972.db2.gz HCWMRWURJCQGSQ-KRWDZBQOSA-N 2 0 345.491 1.331 20 0 EDADRP COCC1(CNC(=O)NC[C@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000417177934 304380627 /nfs/dbraw/zinc/38/06/27/304380627.db2.gz KFKLIZAWGCJFMQ-INIZCTEOSA-N 2 0 340.512 1.424 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)C[C@@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000363689802 153030791 /nfs/dbraw/zinc/03/07/91/153030791.db2.gz VAGOFHKNPNVRKA-BRWVUGGUSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)co1 ZINC000364194186 153169423 /nfs/dbraw/zinc/16/94/23/153169423.db2.gz GXTCFEOBTUDPOI-CZUORRHYSA-N 2 0 335.354 1.892 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)c(C)c2)CC1 ZINC000364239901 153183822 /nfs/dbraw/zinc/18/38/22/153183822.db2.gz CGUMIZUWAKETNW-GOSISDBHSA-N 2 0 334.439 1.777 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364608439 153286119 /nfs/dbraw/zinc/28/61/19/153286119.db2.gz ZXAVTZANSMYORM-QFBILLFUSA-N 2 0 343.427 1.534 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417201577 304384197 /nfs/dbraw/zinc/38/41/97/304384197.db2.gz WQSAQZUJIZLRRS-NXHRZFHOSA-N 2 0 332.492 1.928 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000417198591 304383869 /nfs/dbraw/zinc/38/38/69/304383869.db2.gz RQLIYHLFQXZSKL-ROUUACIJSA-N 2 0 332.492 1.800 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000417226281 304385766 /nfs/dbraw/zinc/38/57/66/304385766.db2.gz ZLJXQSIELQYISH-TWMKSMIVSA-N 2 0 336.524 1.994 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365962397 153674023 /nfs/dbraw/zinc/67/40/23/153674023.db2.gz DTTYGBJMHWGGRE-LPHOPBHVSA-N 2 0 345.487 1.979 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000574453328 306650940 /nfs/dbraw/zinc/65/09/40/306650940.db2.gz OHZAJABCLROVMZ-HNNXBMFYSA-N 2 0 329.448 1.972 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000367283616 154066735 /nfs/dbraw/zinc/06/67/35/154066735.db2.gz XPVIDUQGZAITRW-INIZCTEOSA-N 2 0 345.443 1.452 20 0 EDADRP C[NH2+][C@H](C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1)c1cnn(C)c1 ZINC000367648158 154212040 /nfs/dbraw/zinc/21/20/40/154212040.db2.gz FUXWEFDNGQAILL-SFHVURJKSA-N 2 0 347.507 1.651 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000367648624 154212075 /nfs/dbraw/zinc/21/20/75/154212075.db2.gz KIQKTTMCAMJQKE-GBESFXJTSA-N 2 0 345.487 1.564 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000367688047 154230214 /nfs/dbraw/zinc/23/02/14/154230214.db2.gz YPQGVUSTHGMWBW-LMSBXDPUSA-N 2 0 331.460 1.774 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000417372597 304395182 /nfs/dbraw/zinc/39/51/82/304395182.db2.gz XHWBAVAIHSGDKE-LJQANCHMSA-N 2 0 348.491 1.816 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000371675443 156058014 /nfs/dbraw/zinc/05/80/14/156058014.db2.gz HLXQZAJGTBQYBO-HZPDHXFCSA-N 2 0 339.528 1.184 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000371905439 156160719 /nfs/dbraw/zinc/16/07/19/156160719.db2.gz AXTBIXWNLQHDMO-OAHLLOKOSA-N 2 0 335.452 1.410 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)CN1CCOCC1 ZINC000372045926 156223796 /nfs/dbraw/zinc/22/37/96/156223796.db2.gz ICQRMNLYLIBUQH-NCXUSEDFSA-N 2 0 339.524 1.434 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000372423165 156382645 /nfs/dbraw/zinc/38/26/45/156382645.db2.gz VXTFRMNDFGBMIS-IAGOWNOFSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000417533758 304403845 /nfs/dbraw/zinc/40/38/45/304403845.db2.gz YGSHVWPHWKVNPG-RDJZCZTQSA-N 2 0 348.491 1.548 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000374074558 157132337 /nfs/dbraw/zinc/13/23/37/157132337.db2.gz LMLFWWAHHZYNCJ-UHFFFAOYSA-N 2 0 348.447 1.413 20 0 EDADRP CCOC(=O)c1ccc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)nc1 ZINC000374252872 157213307 /nfs/dbraw/zinc/21/33/07/157213307.db2.gz AUBOGPRSEDIFIM-HNNXBMFYSA-N 2 0 346.475 1.863 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)CCO1 ZINC000374302044 157232449 /nfs/dbraw/zinc/23/24/49/157232449.db2.gz LDBJCSWFPKTKSE-QGZVFWFLSA-N 2 0 325.497 1.141 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200728 158106411 /nfs/dbraw/zinc/10/64/11/158106411.db2.gz MGJZYAJBWLAPKT-QZTJIDSGSA-N 2 0 330.476 1.315 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)CC3CC[NH2+]CC3)CC2)CC1 ZINC000378202058 158107986 /nfs/dbraw/zinc/10/79/86/158107986.db2.gz FGEJEESLJYFPKZ-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@@H](CCC[NH3+])COC)c1 ZINC000423169946 286692600 /nfs/dbraw/zinc/69/26/00/286692600.db2.gz KQYRPSRIJZXYKN-AWEZNQCLSA-N 2 0 348.896 1.977 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000347519191 161784651 /nfs/dbraw/zinc/78/46/51/161784651.db2.gz DEOIVMUAQLFQRM-HZPDHXFCSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352139580 162005884 /nfs/dbraw/zinc/00/58/84/162005884.db2.gz FVTWVTOKTOYBCX-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000352208458 162050604 /nfs/dbraw/zinc/05/06/04/162050604.db2.gz OAHIZMVNLHNISZ-INIZCTEOSA-N 2 0 328.501 1.328 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCOCC[NH+](CC)CC ZINC000352209005 162052224 /nfs/dbraw/zinc/05/22/24/162052224.db2.gz XPOZNXRAVOJREY-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC[NH+]2CCCC2)C1 ZINC000353496326 162262709 /nfs/dbraw/zinc/26/27/09/162262709.db2.gz AKAWTHMKKBQEJB-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP CCCCOC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000365171897 162351085 /nfs/dbraw/zinc/35/10/85/162351085.db2.gz SMRSYZJTFJYDOV-MSOLQXFVSA-N 2 0 327.513 1.264 20 0 EDADRP CCCCOC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000366138297 162369720 /nfs/dbraw/zinc/36/97/20/162369720.db2.gz GPZIJXAUTSIRGZ-AEFFLSMTSA-N 2 0 327.513 1.264 20 0 EDADRP C[C@@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000418056175 304452113 /nfs/dbraw/zinc/45/21/13/304452113.db2.gz JMSYVRWCMZFWBC-CRAIPNDOSA-N 2 0 332.492 1.978 20 0 EDADRP C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000418192064 304463314 /nfs/dbraw/zinc/46/33/14/304463314.db2.gz YFHNXTYSVWDAPL-IACUBPJLSA-N 2 0 328.407 1.960 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000486964373 287157582 /nfs/dbraw/zinc/15/75/82/287157582.db2.gz HURWXWAEOUHXDV-RVKKMQEKSA-N 2 0 330.476 1.921 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC[NH+]3CCCC3)c2)CC1 ZINC000072826471 287257502 /nfs/dbraw/zinc/25/75/02/287257502.db2.gz HUKSFCFBYGCULV-UHFFFAOYSA-N 2 0 330.476 1.260 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cc(F)cc(F)c1 ZINC000077802944 287290339 /nfs/dbraw/zinc/29/03/39/287290339.db2.gz QAUWAGZAWVSAHP-UHFFFAOYSA-N 2 0 342.434 1.642 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122807103 287383389 /nfs/dbraw/zinc/38/33/89/287383389.db2.gz NPKWNDNJCBXDKE-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP COC1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000167670732 226196600 /nfs/dbraw/zinc/19/66/00/226196600.db2.gz IQXAKAFYGYANGC-UHFFFAOYSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123468269 222282393 /nfs/dbraw/zinc/28/23/93/222282393.db2.gz AVOJLCNAVXPMOI-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000418457099 304497487 /nfs/dbraw/zinc/49/74/87/304497487.db2.gz GMKHKMUNDXSNQJ-QAPCUYQASA-N 2 0 348.491 1.598 20 0 EDADRP COc1cc2c(cc1OC)CN(CCNC(=O)[C@]1(C)CC[NH2+]C1)CC2 ZINC000237410020 273009942 /nfs/dbraw/zinc/00/99/42/273009942.db2.gz CIPSVJPYNFAGBP-LJQANCHMSA-N 2 0 347.459 1.178 20 0 EDADRP C[NH+]1CC=C(CNc2cc(NCC3=CC[N@H+](C)CC3)ncn2)CC1 ZINC000274797327 268208860 /nfs/dbraw/zinc/20/88/60/268208860.db2.gz ZXHOSRKZXPPQOQ-UHFFFAOYSA-N 2 0 328.464 1.824 20 0 EDADRP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173955412 272934930 /nfs/dbraw/zinc/93/49/30/272934930.db2.gz ARINBLWYYQLLFZ-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+]1CCC(CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000176128372 272937751 /nfs/dbraw/zinc/93/77/51/272937751.db2.gz OQKVLQBFWKQDHY-QGZVFWFLSA-N 2 0 338.496 1.082 20 0 EDADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCOCC1 ZINC000277114039 273180094 /nfs/dbraw/zinc/18/00/94/273180094.db2.gz XYDWOHCBZSAINY-SFHVURJKSA-N 2 0 334.460 1.538 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280785170 273398078 /nfs/dbraw/zinc/39/80/78/273398078.db2.gz IRMWRVHDSGNHME-APWZRJJASA-N 2 0 331.460 1.633 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283841089 273980547 /nfs/dbraw/zinc/98/05/47/273980547.db2.gz FLOYAZZBGQBWJD-DOTOQJQBSA-N 2 0 348.491 1.252 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3ccccc3NC2=O)CC1 ZINC000248893701 274267904 /nfs/dbraw/zinc/26/79/04/274267904.db2.gz SUOWNQZEWDRLLO-BEFAXECRSA-N 2 0 345.487 1.965 20 0 EDADRP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414754890 276280081 /nfs/dbraw/zinc/28/00/81/276280081.db2.gz GOLLMKQCNABSDC-YJBOKZPZSA-N 2 0 339.480 1.382 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000420129786 276306305 /nfs/dbraw/zinc/30/63/05/276306305.db2.gz QBVSZDHOAPTQET-ZBFHGGJFSA-N 2 0 346.475 1.123 20 0 EDADRP C[N@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1Cc2ccccc2[C@H]1O ZINC000371473191 277002364 /nfs/dbraw/zinc/00/23/64/277002364.db2.gz LXBJHDKPZBSEGF-YSIASYRMSA-N 2 0 329.488 1.745 20 0 EDADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000495429697 277197086 /nfs/dbraw/zinc/19/70/86/277197086.db2.gz MFVLEUFXVVCTHS-UHFFFAOYSA-N 2 0 329.485 1.726 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N[C@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000367713189 277567470 /nfs/dbraw/zinc/56/74/70/277567470.db2.gz QRAJPXFAMKFQOD-CABCVRRESA-N 2 0 333.432 1.065 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000286288034 287974807 /nfs/dbraw/zinc/97/48/07/287974807.db2.gz WVDGBNQHKDWKLZ-JTDSTZFVSA-N 2 0 344.503 1.550 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[NH2+]C1 ZINC000286307929 287979135 /nfs/dbraw/zinc/97/91/35/287979135.db2.gz XUHANEFJFONNNM-AWEZNQCLSA-N 2 0 325.403 1.855 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000237548512 277965232 /nfs/dbraw/zinc/96/52/32/277965232.db2.gz BMQFVKLUUWUSAT-BZUAXINKSA-N 2 0 327.538 1.956 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417021865 278230141 /nfs/dbraw/zinc/23/01/41/278230141.db2.gz NTPKXIIHQMPFDJ-WMZOPIPTSA-N 2 0 347.507 1.402 20 0 EDADRP CC[N@@H+]1CCN(CC(=O)N2CCN(Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000286548680 288032165 /nfs/dbraw/zinc/03/21/65/288032165.db2.gz ONELIUVFCDPRBF-SFHVURJKSA-N 2 0 344.503 1.357 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000424045067 278350801 /nfs/dbraw/zinc/35/08/01/278350801.db2.gz STYMWPMLZFXEFO-QZTJIDSGSA-N 2 0 349.519 1.866 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000236652368 278550283 /nfs/dbraw/zinc/55/02/83/278550283.db2.gz VUWNAIAYUCPGGW-ROUUACIJSA-N 2 0 331.460 1.564 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475447 279045511 /nfs/dbraw/zinc/04/55/11/279045511.db2.gz WRGBJOFNUSCKMF-KURKYZTESA-N 2 0 331.460 1.659 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000333339319 279371472 /nfs/dbraw/zinc/37/14/72/279371472.db2.gz XQRXTJHXMAOHDU-ROUUACIJSA-N 2 0 336.524 1.523 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360756982 280009964 /nfs/dbraw/zinc/00/99/64/280009964.db2.gz WRKQAERYWMUENN-HOCLYGCPSA-N 2 0 328.526 1.405 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000287665812 288289297 /nfs/dbraw/zinc/28/92/97/288289297.db2.gz VNDRSXLAKGFTQH-CABCVRRESA-N 2 0 327.428 1.889 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287751711 288314335 /nfs/dbraw/zinc/31/43/35/288314335.db2.gz QGSSVIWCLZCXJQ-INIZCTEOSA-N 2 0 328.464 1.555 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418112871 288316996 /nfs/dbraw/zinc/31/69/96/288316996.db2.gz ZGXMFHAFPDSCDM-LMWSTFAQSA-N 2 0 348.413 1.795 20 0 EDADRP c1cnn([C@@H]2CC[NH+](CCOCC[N@@H+]3CC[C@H](n4cccn4)C3)C2)c1 ZINC000292024874 289242035 /nfs/dbraw/zinc/24/20/35/289242035.db2.gz YOGCRYUMWPEHBR-HDICACEKSA-N 2 0 344.463 1.290 20 0 EDADRP C[C@@H](C(=O)NCCc1ccc(F)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292214380 289291197 /nfs/dbraw/zinc/29/11/97/289291197.db2.gz UKGLKWFIJBPZRA-HNAYVOBHSA-N 2 0 333.451 1.901 20 0 EDADRP COc1cc2c(cc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)OCO2 ZINC000349802332 295033946 /nfs/dbraw/zinc/03/39/46/295033946.db2.gz NYWNPIFMRDIJQO-CQSZACIVSA-N 2 0 335.448 1.540 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000422776780 295121614 /nfs/dbraw/zinc/12/16/14/295121614.db2.gz DLWJRPNDIZLTMP-KZNAEPCWSA-N 2 0 334.460 1.993 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C(F)F ZINC000418701254 295238499 /nfs/dbraw/zinc/23/84/99/295238499.db2.gz ADQGBBBFRZEXOT-UBHSHLNASA-N 2 0 330.423 1.627 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000331798241 295249807 /nfs/dbraw/zinc/24/98/07/295249807.db2.gz LWBZZMAELFLKBK-IXDOHACOSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417739662 297249454 /nfs/dbraw/zinc/24/94/54/297249454.db2.gz QQISFSMJFIFLHT-CABCVRRESA-N 2 0 330.476 1.464 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000339550137 297275973 /nfs/dbraw/zinc/27/59/73/297275973.db2.gz ZOOVXCVQXOGVJJ-HYVNUMGLSA-N 2 0 334.508 1.985 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CC1)c1ccccc1 ZINC000418861849 304540813 /nfs/dbraw/zinc/54/08/13/304540813.db2.gz NQVDAWBMKMYOGN-IAGOWNOFSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCC2(C)CC[NH+](C)CC2)C[C@H](C)O1 ZINC000357049715 300256098 /nfs/dbraw/zinc/25/60/98/300256098.db2.gz FZGSSKALPHXOQM-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000658687001 453272721 /nfs/dbraw/zinc/27/27/21/453272721.db2.gz OJTPJJLCEDMROY-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000414753918 447321927 /nfs/dbraw/zinc/32/19/27/447321927.db2.gz RJVJQFQNTLNBBW-HNNXBMFYSA-N 2 0 333.480 1.948 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000171194616 302942418 /nfs/dbraw/zinc/94/24/18/302942418.db2.gz KKNGYLPCWBQHBI-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000293752280 303013291 /nfs/dbraw/zinc/01/32/91/303013291.db2.gz WIBJGTCVDDHQLW-KRWDZBQOSA-N 2 0 333.476 1.911 20 0 EDADRP C[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000293950744 303042945 /nfs/dbraw/zinc/04/29/45/303042945.db2.gz VMSZGXDYKMUVFC-KRWDZBQOSA-N 2 0 332.492 1.513 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC000295045527 303166887 /nfs/dbraw/zinc/16/68/87/303166887.db2.gz GFRGGFQYWDGQDN-MRXNPFEDSA-N 2 0 331.420 1.354 20 0 EDADRP C[C@@H]([N@H+](C)CC(=O)N1CCN(Cc2ccccc2)CC1)C(C)(C)O ZINC000295054739 303168072 /nfs/dbraw/zinc/16/80/72/303168072.db2.gz BJFSSPKYTBOQLJ-MRXNPFEDSA-N 2 0 333.476 1.422 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843764 303274764 /nfs/dbraw/zinc/27/47/64/303274764.db2.gz WBIBMKQVUPUKHN-CYBMUJFWSA-N 2 0 331.464 1.691 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)c1 ZINC000298597892 303537731 /nfs/dbraw/zinc/53/77/31/303537731.db2.gz CTTOVPUDMNATQS-UHFFFAOYSA-N 2 0 348.491 1.923 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000298644400 303541243 /nfs/dbraw/zinc/54/12/43/303541243.db2.gz TVVODFMMDHTALR-UHFFFAOYSA-N 2 0 336.480 1.768 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000377746530 447333070 /nfs/dbraw/zinc/33/30/70/447333070.db2.gz DLFSXQYABMWUJX-INIZCTEOSA-N 2 0 327.538 1.910 20 0 EDADRP Brc1ccc2ncc(C[NH2+]CCN3CC[NH2+]CC3)n2c1 ZINC000414872199 447336316 /nfs/dbraw/zinc/33/63/16/447336316.db2.gz VZVOWCCCUQOLJD-UHFFFAOYSA-N 2 0 338.253 1.092 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc(C(=O)NC)c2)CC[NH2+]CC1 ZINC000422702318 304878726 /nfs/dbraw/zinc/87/87/26/304878726.db2.gz KJYYZMFMHOSPMG-CQSZACIVSA-N 2 0 347.459 1.457 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)CCN2CCOCC2)CC[NH2+]CC1 ZINC000422915839 304880144 /nfs/dbraw/zinc/88/01/44/304880144.db2.gz ZFOQPJKCKKDNET-JKSUJKDBSA-N 2 0 341.496 1.008 20 0 EDADRP O=S(=O)(NCC[NH2+][C@H]1CCC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000423117397 304887528 /nfs/dbraw/zinc/88/75/28/304887528.db2.gz VGFYJYZBPBSMKW-LBPRGKRZSA-N 2 0 349.859 1.489 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000423420891 304895382 /nfs/dbraw/zinc/89/53/82/304895382.db2.gz AMEVMTXDWNMQSK-HOTGVXAUSA-N 2 0 345.491 1.825 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000423732023 304906741 /nfs/dbraw/zinc/90/67/41/304906741.db2.gz OLIJEANPNMXYCI-INIZCTEOSA-N 2 0 341.459 1.868 20 0 EDADRP C[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)[NH+]1CCCCCC1 ZINC000424007929 304924684 /nfs/dbraw/zinc/92/46/84/304924684.db2.gz GYWRECQRQQKSGW-KBAYOESNSA-N 2 0 337.508 1.996 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CC1 ZINC000429023146 305022883 /nfs/dbraw/zinc/02/28/83/305022883.db2.gz VBHVFWCRDPRQFF-LZLYRXPVSA-N 2 0 336.524 1.249 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581874 305057051 /nfs/dbraw/zinc/05/70/51/305057051.db2.gz IJSSMTRUHQVWMT-GDBMZVCRSA-N 2 0 332.448 1.462 20 0 EDADRP C[C@H](C(=O)NCCc1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430587734 305057322 /nfs/dbraw/zinc/05/73/22/305057322.db2.gz ADTYZJSYWNKGFN-MRXNPFEDSA-N 2 0 333.476 1.564 20 0 EDADRP CN(CCOc1ccc(Cl)cc1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430614645 305059196 /nfs/dbraw/zinc/05/91/96/305059196.db2.gz ZQXAPZAWLUGCQQ-UHFFFAOYSA-N 2 0 339.867 1.848 20 0 EDADRP Cc1oc(-c2ccccc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430626334 305060000 /nfs/dbraw/zinc/06/00/00/305060000.db2.gz LXFASDFQGPWPOI-INIZCTEOSA-N 2 0 342.443 1.937 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430628235 305060292 /nfs/dbraw/zinc/06/02/92/305060292.db2.gz UZTTWHDBMRSDIG-UONOGXRCSA-N 2 0 349.475 1.940 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000430722498 305063341 /nfs/dbraw/zinc/06/33/41/305063341.db2.gz NBQHCDGXKCNKOG-XIRDDKMYSA-N 2 0 337.508 1.913 20 0 EDADRP Cc1c(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742242 305063844 /nfs/dbraw/zinc/06/38/44/305063844.db2.gz KYJNZQYTQPOTBG-ZIAGYGMSSA-N 2 0 348.495 1.504 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000430850291 305066075 /nfs/dbraw/zinc/06/60/75/305066075.db2.gz KADRZUUZAHPMDO-BRWVUGGUSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1 ZINC000430933516 305068928 /nfs/dbraw/zinc/06/89/28/305068928.db2.gz LEQBLRJXBMXHFO-CQSZACIVSA-N 2 0 337.439 1.770 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000430950363 305070153 /nfs/dbraw/zinc/07/01/53/305070153.db2.gz HDSXIBFPJVRPSV-UHFFFAOYSA-N 2 0 341.459 1.420 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCc1c(F)cccc1F ZINC000431032708 305073233 /nfs/dbraw/zinc/07/32/33/305073233.db2.gz LBPPVDHYXUEEMA-UHFFFAOYSA-N 2 0 337.414 1.699 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000431031095 305073267 /nfs/dbraw/zinc/07/32/67/305073267.db2.gz UTMDIOAWXXSGGJ-IBGZPJMESA-N 2 0 347.503 1.906 20 0 EDADRP CCCCN(C)C(=O)C1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431072828 305074121 /nfs/dbraw/zinc/07/41/21/305074121.db2.gz ULWYQLIBODQDLM-UHFFFAOYSA-N 2 0 337.468 1.734 20 0 EDADRP COC(=O)Cc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433115371 305100674 /nfs/dbraw/zinc/10/06/74/305100674.db2.gz JGZUNLOQFXMBTF-UHFFFAOYSA-N 2 0 333.432 1.544 20 0 EDADRP CC(C)n1cc2c(n1)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000433125060 305100985 /nfs/dbraw/zinc/10/09/85/305100985.db2.gz IBEDYHDHOFSXCT-QGZVFWFLSA-N 2 0 347.507 1.641 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCNC(=O)c2ccccc2)CC1 ZINC000433127239 305101162 /nfs/dbraw/zinc/10/11/62/305101162.db2.gz GVMUQTOHUHUYOH-UHFFFAOYSA-N 2 0 346.475 1.126 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433161780 305102071 /nfs/dbraw/zinc/10/20/71/305102071.db2.gz YJKAKAAYZDNCSC-GOSISDBHSA-N 3 0 332.492 1.609 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCC(=O)NC2CCCCC2)CC1 ZINC000433159942 305102151 /nfs/dbraw/zinc/10/21/51/305102151.db2.gz TUEKXTKVFMZXPF-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H](C[NH3+])C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000433161744 305102157 /nfs/dbraw/zinc/10/21/57/305102157.db2.gz YHDJYCFOLVNRIG-CVEARBPZSA-N 2 0 347.507 1.605 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433341310 305106077 /nfs/dbraw/zinc/10/60/77/305106077.db2.gz RVBBOKMBUPVZJE-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433393732 305107583 /nfs/dbraw/zinc/10/75/83/305107583.db2.gz HAMDYFSQEQQHHI-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433453804 305109346 /nfs/dbraw/zinc/10/93/46/305109346.db2.gz CHUXIWHFGXITRO-GVDBMIGSSA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000434448870 305122815 /nfs/dbraw/zinc/12/28/15/305122815.db2.gz RUEKQJQHINWWDT-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000436471505 305157767 /nfs/dbraw/zinc/15/77/67/305157767.db2.gz UOIOJBARLSHOCL-INIZCTEOSA-N 3 0 345.491 1.227 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441281448 305220192 /nfs/dbraw/zinc/22/01/92/305220192.db2.gz FIXQGPGPMUWDDV-JKSUJKDBSA-N 2 0 335.492 1.478 20 0 EDADRP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057085 305234326 /nfs/dbraw/zinc/23/43/26/305234326.db2.gz FJYGJIGDGCIJCD-CQSZACIVSA-N 2 0 332.448 1.388 20 0 EDADRP CCOC1CC(O)(C[NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)C1 ZINC000444005473 305242738 /nfs/dbraw/zinc/24/27/38/305242738.db2.gz RFFCBXLICXIMMD-UHFFFAOYSA-N 2 0 347.503 1.848 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C(C)C)C2)C1 ZINC000446719818 305269984 /nfs/dbraw/zinc/26/99/84/305269984.db2.gz JXGDSOTVHFHCQO-IAGOWNOFSA-N 2 0 325.497 1.437 20 0 EDADRP COC(=O)COC[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449165846 305308544 /nfs/dbraw/zinc/30/85/44/305308544.db2.gz BDDALJZHJMMYSE-INIZCTEOSA-N 2 0 341.496 1.104 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000449312502 305311000 /nfs/dbraw/zinc/31/10/00/305311000.db2.gz RDNVHOOKIVYPOB-OLMNPRSZSA-N 2 0 331.460 1.804 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCOCC1 ZINC000449347050 305311992 /nfs/dbraw/zinc/31/19/92/305311992.db2.gz BAZIMXIDDJZUEV-LJQANCHMSA-N 2 0 331.460 1.145 20 0 EDADRP CCOc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)on1 ZINC000448852062 447352165 /nfs/dbraw/zinc/35/21/65/447352165.db2.gz HSIRVUFYXJVVLX-AWEZNQCLSA-N 2 0 338.452 1.561 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)[C@H]1SC ZINC000459371452 305519118 /nfs/dbraw/zinc/51/91/18/305519118.db2.gz SUUKPYRNBWPJAE-MWDXBVQZSA-N 2 0 329.554 1.757 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000459400184 305520113 /nfs/dbraw/zinc/52/01/13/305520113.db2.gz BSUKOLKXBJXEMC-OAHLLOKOSA-N 2 0 338.496 1.761 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000515839722 305728842 /nfs/dbraw/zinc/72/88/42/305728842.db2.gz PUORVZWBADUMRX-CABCVRRESA-N 2 0 325.840 1.437 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000516458872 305737030 /nfs/dbraw/zinc/73/70/30/305737030.db2.gz OJJGHBNYLIEXTE-GGXPGOJBSA-N 2 0 335.492 1.510 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000519828890 305776282 /nfs/dbraw/zinc/77/62/82/305776282.db2.gz VDWRDFCVJMZWGS-QFBILLFUSA-N 2 0 344.503 1.681 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCSCC1 ZINC000521424268 305789346 /nfs/dbraw/zinc/78/93/46/305789346.db2.gz HZCLCRCVAQYKMK-VMGRFDJRSA-N 2 0 325.522 1.755 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000529325372 305909210 /nfs/dbraw/zinc/90/92/10/305909210.db2.gz UVCODDSFVMZGGA-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)CC1 ZINC000425938423 447364586 /nfs/dbraw/zinc/36/45/86/447364586.db2.gz WVOSLJPFACYWBA-LSDHHAIUSA-N 2 0 341.496 1.354 20 0 EDADRP COC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccco1 ZINC000531317714 305957118 /nfs/dbraw/zinc/95/71/18/305957118.db2.gz LDIAXBCBNBSQLQ-AWEZNQCLSA-N 2 0 326.441 1.102 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000414943264 447367518 /nfs/dbraw/zinc/36/75/18/447367518.db2.gz FFOSMKDSZQUMAV-CVEARBPZSA-N 2 0 332.448 1.334 20 0 EDADRP O=C(CN1CCC(Nc2ccccn2)CC1)NC(=O)NC1CCCC1 ZINC000534128039 306003763 /nfs/dbraw/zinc/00/37/63/306003763.db2.gz KQRYJNNXCAITJI-UHFFFAOYSA-N 2 0 345.447 1.726 20 0 EDADRP CN(CCC(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1cc[nH+]cc1 ZINC000542784788 306058341 /nfs/dbraw/zinc/05/83/41/306058341.db2.gz NNIDGPXGJJNYCE-OKZBNKHCSA-N 2 0 346.475 1.618 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000543713869 306067620 /nfs/dbraw/zinc/06/76/20/306067620.db2.gz LMSKQPCXCGMGMN-FUHWJXTLSA-N 2 0 331.460 1.900 20 0 EDADRP NC(=O)c1c[nH+]ccc1N1CCC([NH2+]CCOc2ccccc2)CC1 ZINC000546579993 306093505 /nfs/dbraw/zinc/09/35/05/306093505.db2.gz PMCALMLMAKQNGS-UHFFFAOYSA-N 2 0 340.427 1.818 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCO[C@@H]1C1CC1 ZINC000547363269 306099059 /nfs/dbraw/zinc/09/90/59/306099059.db2.gz VWOGYBJNVKLPJG-AEFFLSMTSA-N 2 0 340.512 1.326 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+](CC(C)(C)O)CC1)C1CCCCC1 ZINC000547430997 306100811 /nfs/dbraw/zinc/10/08/11/306100811.db2.gz TVBGCKLLUHISFF-UHFFFAOYSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccncc1F ZINC000550918202 306154978 /nfs/dbraw/zinc/15/49/78/306154978.db2.gz ZCSGFVIZWWELDT-DOMZBBRYSA-N 2 0 331.395 1.796 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000551412684 306158012 /nfs/dbraw/zinc/15/80/12/306158012.db2.gz APHJDSNBJADFDD-OALUTQOASA-N 2 0 347.503 1.718 20 0 EDADRP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000555612900 306204071 /nfs/dbraw/zinc/20/40/71/306204071.db2.gz NBKVXPGBDYMTMZ-UYAOXDASSA-N 2 0 343.471 1.366 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@]2(O)C[NH+]3CCC2CC3)cc1 ZINC000556850434 306220061 /nfs/dbraw/zinc/22/00/61/306220061.db2.gz ALSXPVRXZRFXRM-HXUWFJFHSA-N 2 0 345.487 1.715 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)C1 ZINC000557134272 306224615 /nfs/dbraw/zinc/22/46/15/306224615.db2.gz QZYGDRCEQDSILQ-AEFFLSMTSA-N 2 0 338.496 1.128 20 0 EDADRP CCOc1cccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414970877 447380533 /nfs/dbraw/zinc/38/05/33/447380533.db2.gz HXJONDDVTOWKGZ-CYBMUJFWSA-N 2 0 332.370 1.406 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000422170579 447385599 /nfs/dbraw/zinc/38/55/99/447385599.db2.gz FJUHTYXFVOXNQA-KRWDZBQOSA-N 2 0 340.512 1.611 20 0 EDADRP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000415109403 447388677 /nfs/dbraw/zinc/38/86/77/447388677.db2.gz PKJVYQOERCZMDB-KBPBESRZSA-N 2 0 335.448 1.552 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000422184146 447392871 /nfs/dbraw/zinc/39/28/71/447392871.db2.gz XSCYFLVYLJSDMW-QZTJIDSGSA-N 2 0 332.492 1.895 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)ccc1C[NH+](C)C ZINC000415430458 447431487 /nfs/dbraw/zinc/43/14/87/447431487.db2.gz RHORBIBMYSXKHX-MRXNPFEDSA-N 2 0 334.464 1.485 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])c1ccccc1 ZINC000419823499 447434473 /nfs/dbraw/zinc/43/44/73/447434473.db2.gz YDCLGTSSWGDXOR-GVDBMIGSSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000458635156 447433771 /nfs/dbraw/zinc/43/37/71/447433771.db2.gz ATHAEAGMZSUICF-KRWDZBQOSA-N 2 0 348.491 1.393 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069936940 441092634 /nfs/dbraw/zinc/09/26/34/441092634.db2.gz ZEYRXKHCLNLSRO-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP Cc1cc(Br)oc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212789 441178404 /nfs/dbraw/zinc/17/84/04/441178404.db2.gz LWXQJDDEPDVICE-UHFFFAOYSA-N 2 0 346.269 1.916 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2([NH+](C)C)CCOCC2)CCCCC1 ZINC000074002174 441380264 /nfs/dbraw/zinc/38/02/64/441380264.db2.gz ILNAJOOMZAZTAU-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C2CC2)C2CCCC2)C1 ZINC000064808989 441393478 /nfs/dbraw/zinc/39/34/78/441393478.db2.gz DMLCQFLGSZPMHM-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000074221532 441410313 /nfs/dbraw/zinc/41/03/13/441410313.db2.gz UWGCQRPBEBLVBX-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000074187677 441404961 /nfs/dbraw/zinc/40/49/61/441404961.db2.gz NRNYMBVGUJVGDB-UHFFFAOYSA-N 2 0 347.507 1.783 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)COCC)CC1 ZINC000088728500 441517752 /nfs/dbraw/zinc/51/77/52/441517752.db2.gz WJQFHJLSDXPFHP-GOSISDBHSA-N 2 0 335.492 1.706 20 0 EDADRP CC(C)[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)[NH+](C)C ZINC000089344641 441538764 /nfs/dbraw/zinc/53/87/64/441538764.db2.gz GLULHPKBVAYRLJ-QGZVFWFLSA-N 2 0 339.524 1.848 20 0 EDADRP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1CCOc1ccccc1 ZINC000090088496 441620364 /nfs/dbraw/zinc/62/03/64/441620364.db2.gz UNRCLGMPXHQHHI-OKZBNKHCSA-N 2 0 343.471 1.883 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000136517075 441702278 /nfs/dbraw/zinc/70/22/78/441702278.db2.gz CJVWBDBGWOJTTO-OAHLLOKOSA-N 2 0 334.464 1.484 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000121709199 441762890 /nfs/dbraw/zinc/76/28/90/441762890.db2.gz MRSUCGKXDIJBTI-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000092615627 441813178 /nfs/dbraw/zinc/81/31/78/441813178.db2.gz IYGZDLGAFBQVJD-UHFFFAOYSA-N 2 0 333.432 1.305 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077788763 441861008 /nfs/dbraw/zinc/86/10/08/441861008.db2.gz SYBVTQIPSIKHEJ-BZUAXINKSA-N 2 0 340.512 1.109 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000415441237 447442397 /nfs/dbraw/zinc/44/23/97/447442397.db2.gz FNFQGLZWAOCYHA-DOTOQJQBSA-N 2 0 346.475 1.711 20 0 EDADRP CN(C)C(=O)CCCNc1ncnc2c1cnn2-c1ccncc1 ZINC000119112155 441917818 /nfs/dbraw/zinc/91/78/18/441917818.db2.gz OTRMYGAOOZGRER-UHFFFAOYSA-N 2 0 325.376 1.491 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(C)COC1 ZINC000174884395 441978365 /nfs/dbraw/zinc/97/83/65/441978365.db2.gz GRVFBVKBWMIQIS-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150785986 441951354 /nfs/dbraw/zinc/95/13/54/441951354.db2.gz JPQFESVRWDXCDJ-RTBURBONSA-N 2 0 348.487 1.990 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000119867223 441967321 /nfs/dbraw/zinc/96/73/21/441967321.db2.gz ZIQJDTRXALQSDB-HKUYNNGSSA-N 2 0 348.491 1.435 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NCc2cccc(OC)c2)[C@H](C)C1 ZINC000174775945 441967930 /nfs/dbraw/zinc/96/79/30/441967930.db2.gz JSZRGOALAQROGH-QAPCUYQASA-N 2 0 333.476 1.974 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000120487424 442080703 /nfs/dbraw/zinc/08/07/03/442080703.db2.gz WONMXJQWTBCNNX-YESZJQIVSA-N 2 0 340.512 1.659 20 0 EDADRP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000120516570 442087254 /nfs/dbraw/zinc/08/72/54/442087254.db2.gz LMOORDPUNYYFHG-IRXDYDNUSA-N 2 0 337.508 1.865 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(O)C2)c1ccccc1 ZINC000097096303 442166021 /nfs/dbraw/zinc/16/60/21/442166021.db2.gz IWYUSYYCYLYKKF-WFFDWFOESA-N 2 0 331.460 1.393 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000167267687 442219428 /nfs/dbraw/zinc/21/94/28/442219428.db2.gz MPJCYCGVNRAWSA-DLBZAZTESA-N 2 0 325.497 1.901 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168099643 442222999 /nfs/dbraw/zinc/22/29/99/442222999.db2.gz LLAVARFPMDRAJF-RTBURBONSA-N 2 0 345.487 1.690 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000168100262 442223371 /nfs/dbraw/zinc/22/33/71/442223371.db2.gz KEDUDBXECAEWGT-ZWKOTPCHSA-N 2 0 331.460 1.158 20 0 EDADRP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C(C)(C)O1 ZINC000168950184 442225634 /nfs/dbraw/zinc/22/56/34/442225634.db2.gz PLLYTRLPMXTKSN-INIZCTEOSA-N 2 0 327.513 1.312 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@H](C(N)=O)C1 ZINC000127936278 442234759 /nfs/dbraw/zinc/23/47/59/442234759.db2.gz WLLCMCWVRYMYDD-INIZCTEOSA-N 2 0 346.475 1.663 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)COc1ccc2c(c1)OCO2 ZINC000153272258 442272488 /nfs/dbraw/zinc/27/24/88/442272488.db2.gz DLQGXWATIAWPEZ-MRXNPFEDSA-N 2 0 348.443 1.619 20 0 EDADRP C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000153401724 442280635 /nfs/dbraw/zinc/28/06/35/442280635.db2.gz SRNVYWYHOOKTGY-ROUUACIJSA-N 2 0 344.503 1.798 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000171189343 442325144 /nfs/dbraw/zinc/32/51/44/442325144.db2.gz JWFBKTNZDMQMBU-SFHVURJKSA-N 2 0 348.491 1.701 20 0 EDADRP Cc1cc(C)n(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000154193457 442326268 /nfs/dbraw/zinc/32/62/68/442326268.db2.gz RWRWMCYNDQKYDN-JWTNVVGKSA-N 2 0 345.491 1.269 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@H](C)C1 ZINC000129642589 442326318 /nfs/dbraw/zinc/32/63/18/442326318.db2.gz PODCVGNMBZEXGP-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000154559677 442345258 /nfs/dbraw/zinc/34/52/58/442345258.db2.gz RLRFZSZYIFDLNV-SFHVURJKSA-N 2 0 333.476 1.777 20 0 EDADRP Cc1cc(C)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000130536105 442348952 /nfs/dbraw/zinc/34/89/52/442348952.db2.gz JSJIOWNEGHSQBY-UHFFFAOYSA-N 2 0 348.491 1.502 20 0 EDADRP COC(=O)[C@H]1[C@@H](C(=O)OC)CCCN1CCCCn1ccnc1C ZINC000131125237 442365252 /nfs/dbraw/zinc/36/52/52/442365252.db2.gz FRMBKZDGRTXVBA-LSDHHAIUSA-N 2 0 337.420 1.398 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000177995173 442400625 /nfs/dbraw/zinc/40/06/25/442400625.db2.gz GJYJVMRHQNIOPQ-YQQAZPJKSA-N 2 0 339.505 1.592 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428087 442417686 /nfs/dbraw/zinc/41/76/86/442417686.db2.gz JZSAGDYSKNMEJP-AEFFLSMTSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000155752042 442424107 /nfs/dbraw/zinc/42/41/07/442424107.db2.gz WITCTXVVLKUYJT-INIZCTEOSA-N 2 0 348.491 1.500 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000178484709 442437481 /nfs/dbraw/zinc/43/74/81/442437481.db2.gz OPGSNXSPSIZBEM-CVEARBPZSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856911 442505385 /nfs/dbraw/zinc/50/53/85/442505385.db2.gz SWSKSFAPFJGEDB-BQFCYCMXSA-N 2 0 337.508 1.866 20 0 EDADRP CO[C@H](C)c1noc(CN2CCC[N@H+](CC3CC[NH2+]CC3)CC2)n1 ZINC000178982525 442545416 /nfs/dbraw/zinc/54/54/16/442545416.db2.gz FPMRFCDEJZCEAT-CQSZACIVSA-N 2 0 337.468 1.284 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000186571437 442563866 /nfs/dbraw/zinc/56/38/66/442563866.db2.gz FSXIMNHVBIBZFK-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186590274 442567414 /nfs/dbraw/zinc/56/74/14/442567414.db2.gz NTQJFJNGRBZYJK-IRXDYDNUSA-N 2 0 348.516 1.647 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000192521055 442657402 /nfs/dbraw/zinc/65/74/02/442657402.db2.gz JKUWKVYLBQFGHO-JTDSTZFVSA-N 2 0 333.476 1.866 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2CN2CCOCC2)CC1 ZINC000192747925 442683129 /nfs/dbraw/zinc/68/31/29/442683129.db2.gz JWTQJXKDOBTJIW-IBGZPJMESA-N 2 0 338.540 1.199 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCCC[C@H]2C)C1 ZINC000192628779 442670315 /nfs/dbraw/zinc/67/03/15/442670315.db2.gz KMSOPADWHMETOF-KZNAEPCWSA-N 2 0 339.524 1.970 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000193382188 442737733 /nfs/dbraw/zinc/73/77/33/442737733.db2.gz SDTZFFAHJLGKBY-UHFFFAOYSA-N 2 0 330.476 1.700 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000246581670 442795065 /nfs/dbraw/zinc/79/50/65/442795065.db2.gz VPRPYHQOXBRMCW-ZNMIVQPWSA-N 2 0 348.495 1.299 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000182347742 442759190 /nfs/dbraw/zinc/75/91/90/442759190.db2.gz OGUHHIBBWOGXGB-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1)C1CC1 ZINC000246365836 442776395 /nfs/dbraw/zinc/77/63/95/442776395.db2.gz XWASZKYEMUQMGR-GJZGRUSLSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246400016 442778604 /nfs/dbraw/zinc/77/86/04/442778604.db2.gz LHIVYTGQKHXSBO-WMZOPIPTSA-N 2 0 339.524 1.874 20 0 EDADRP O=C(C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)NCC1CCC1 ZINC000182988610 442860261 /nfs/dbraw/zinc/86/02/61/442860261.db2.gz VUKAQKDLWHMWRU-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)C1 ZINC000265683002 442878506 /nfs/dbraw/zinc/87/85/06/442878506.db2.gz CDXPWWYUJSLDPJ-SJORKVTESA-N 2 0 334.464 1.309 20 0 EDADRP CC[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000248065326 442879556 /nfs/dbraw/zinc/87/95/56/442879556.db2.gz ZIRVXOWVMKWEKH-OALUTQOASA-N 2 0 346.519 1.822 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C[C@H]1C ZINC000248396296 442889658 /nfs/dbraw/zinc/88/96/58/442889658.db2.gz KCEHPMXVHRNVRZ-FGTMMUONSA-N 2 0 339.524 1.972 20 0 EDADRP O=C(CC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000188989581 442855526 /nfs/dbraw/zinc/85/55/26/442855526.db2.gz IPSOBRGALKAEDY-PBHICJAKSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000268244516 442915846 /nfs/dbraw/zinc/91/58/46/442915846.db2.gz RTDTYJAJEGHJNS-NXHRZFHOSA-N 2 0 332.492 1.751 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000268396266 442974551 /nfs/dbraw/zinc/97/45/51/442974551.db2.gz QXXVHMJYROGXEC-KBAYOESNSA-N 2 0 330.476 1.852 20 0 EDADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(SC)cc1OC ZINC000265982743 442993796 /nfs/dbraw/zinc/99/37/96/442993796.db2.gz MSWRVAUFIHMHHO-UHFFFAOYSA-N 2 0 340.489 1.972 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c1 ZINC000266034578 442996807 /nfs/dbraw/zinc/99/68/07/442996807.db2.gz SWNAHQOYLQQQTP-RBUKOAKNSA-N 2 0 348.487 1.697 20 0 EDADRP COC[C@@H](C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000189788466 443011008 /nfs/dbraw/zinc/01/10/08/443011008.db2.gz AOYZBSMQBJBAQY-HNNXBMFYSA-N 2 0 327.513 1.685 20 0 EDADRP CN(CCC[NH2+]Cc1ccc(S(C)(=O)=O)cc1)CC[NH+](C)C ZINC000623088096 450398308 /nfs/dbraw/zinc/39/83/08/450398308.db2.gz WEHYMEIHCYDBOQ-UHFFFAOYSA-N 2 0 327.494 1.063 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000268740530 443094376 /nfs/dbraw/zinc/09/43/76/443094376.db2.gz FVUSCVMVJOJMTL-GJZGRUSLSA-N 2 0 340.489 1.712 20 0 EDADRP FC(F)(F)c1cccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000225050687 443099451 /nfs/dbraw/zinc/09/94/51/443099451.db2.gz BMEQMOOZWUQDAF-UHFFFAOYSA-N 2 0 342.409 1.733 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185414650 443196307 /nfs/dbraw/zinc/19/63/07/443196307.db2.gz NHSSRZQSRADFIN-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@H+](CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)C1CC1 ZINC000185318529 443181884 /nfs/dbraw/zinc/18/18/84/443181884.db2.gz ZEEXSEAPQUIILE-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC000237853461 443184744 /nfs/dbraw/zinc/18/47/44/443184744.db2.gz LLVPTGMTTMMYCJ-UHFFFAOYSA-N 2 0 328.416 1.842 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262331941 443190606 /nfs/dbraw/zinc/19/06/06/443190606.db2.gz SHTPFAKXZUKPKC-HNNXBMFYSA-N 2 0 331.464 1.095 20 0 EDADRP CC(C)(CNC(=O)[C@H]1CC(F)(F)CN1)[N@@H+]1CCc2ccccc2C1 ZINC000263093536 443224180 /nfs/dbraw/zinc/22/41/80/443224180.db2.gz YSCOHGLUACOIAQ-OAHLLOKOSA-N 2 0 337.414 1.937 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]2CCCCC2)cc1 ZINC000262806198 443213332 /nfs/dbraw/zinc/21/33/32/443213332.db2.gz SHABWBNVLUKNAN-MSOLQXFVSA-N 2 0 349.475 1.702 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000355475949 319109439 /nfs/dbraw/zinc/10/94/39/319109439.db2.gz QHQSJORZNQJTCS-MRXNPFEDSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000382724562 319124393 /nfs/dbraw/zinc/12/43/93/319124393.db2.gz QQLMTNLCBUBQML-AEFFLSMTSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453201 319134703 /nfs/dbraw/zinc/13/47/03/319134703.db2.gz PYOYQUIHPRDADJ-WCVJEAGWSA-N 2 0 341.496 1.941 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000269252174 443251160 /nfs/dbraw/zinc/25/11/60/443251160.db2.gz HWXPKXWXZXIVJI-GOSISDBHSA-N 2 0 349.475 1.402 20 0 EDADRP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000413849947 319293597 /nfs/dbraw/zinc/29/35/97/319293597.db2.gz ZHIZFIAWTYOLRZ-SJORKVTESA-N 3 0 339.528 1.138 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000414654451 319336788 /nfs/dbraw/zinc/33/67/88/319336788.db2.gz GBFXGARBRINRHW-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP COCC[N@@H+](Cc1cccs1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414675475 319339751 /nfs/dbraw/zinc/33/97/51/319339751.db2.gz FYAMNENLLMOIOS-CQSZACIVSA-N 2 0 325.478 1.394 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000414675493 319339756 /nfs/dbraw/zinc/33/97/56/319339756.db2.gz GANNRKWIJMITFG-UHFFFAOYSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679923 319340917 /nfs/dbraw/zinc/34/09/17/319340917.db2.gz MFAOJJZAORYSEP-IRXDYDNUSA-N 2 0 327.476 1.840 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(C(=O)c3ccccc3)CC2)C1 ZINC000414683767 319341503 /nfs/dbraw/zinc/34/15/03/319341503.db2.gz UOWHOQHCQMAOFJ-INIZCTEOSA-N 2 0 343.471 1.779 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)c(F)c2)C1 ZINC000415085200 319346439 /nfs/dbraw/zinc/34/64/39/319346439.db2.gz QMOKAMISNBUEPG-HNNXBMFYSA-N 2 0 345.422 1.298 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415793435 319370619 /nfs/dbraw/zinc/37/06/19/319370619.db2.gz USZDWBSLAPKCLB-GJZGRUSLSA-N 2 0 346.475 1.505 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH3+])c2C1 ZINC000415875281 319381186 /nfs/dbraw/zinc/38/11/86/319381186.db2.gz CUAINLSATAVFEI-CYBMUJFWSA-N 2 0 332.448 1.402 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)c1 ZINC000415970219 319386411 /nfs/dbraw/zinc/38/64/11/319386411.db2.gz ZAEUWGOVQKVKIQ-AWEZNQCLSA-N 2 0 334.464 1.715 20 0 EDADRP CCOC(=O)[C@@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191386960 443288398 /nfs/dbraw/zinc/28/83/98/443288398.db2.gz XSBNRWAWGWNDOU-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000264448167 443295139 /nfs/dbraw/zinc/29/51/39/443295139.db2.gz YDHOAMAISPLKCA-KRWDZBQOSA-N 2 0 347.463 1.024 20 0 EDADRP COCC1(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH2+]CC1 ZINC000416813648 319462642 /nfs/dbraw/zinc/46/26/42/319462642.db2.gz UVQVYMPBWKQLTK-KRWDZBQOSA-N 2 0 348.491 1.605 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@H+](C)CCN2C)cc1 ZINC000264774954 443418644 /nfs/dbraw/zinc/41/86/44/443418644.db2.gz VWPLBGNDVAZIOE-GOSISDBHSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272754159 443433840 /nfs/dbraw/zinc/43/38/40/443433840.db2.gz JJRPDFSQIXKSPJ-CRAIPNDOSA-N 2 0 348.491 1.393 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)Cn2ccnc2C)CC[NH2+]CC1 ZINC000422957844 319742364 /nfs/dbraw/zinc/74/23/64/319742364.db2.gz OGSBSGAPAKROCH-HUUCEWRRSA-N 2 0 336.480 1.739 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(N2CCCC2=O)c1 ZINC000423184416 319755073 /nfs/dbraw/zinc/75/50/73/319755073.db2.gz SXGRZAOAPOEFSO-MRXNPFEDSA-N 2 0 330.476 1.759 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21)[C@H]1CCC[NH2+]C1 ZINC000423215930 319756384 /nfs/dbraw/zinc/75/63/84/319756384.db2.gz NUVWTQYYNYPSSB-JDFRZJQESA-N 2 0 337.489 1.689 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423309473 319763218 /nfs/dbraw/zinc/76/32/18/319763218.db2.gz LKWGSAGGMJGJJC-MSOLQXFVSA-N 2 0 341.459 1.840 20 0 EDADRP COCC[C@]1(C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC[NH2+]C1 ZINC000423720712 319806555 /nfs/dbraw/zinc/80/65/55/319806555.db2.gz AVEWTIQEFZWMIB-LSTDLKDCSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[C@H](C)CO ZINC000273997061 443590561 /nfs/dbraw/zinc/59/05/61/443590561.db2.gz KFQPQKYHOURSIK-ZACQAIPSSA-N 2 0 347.503 1.762 20 0 EDADRP O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)C12CCC[NH+]1CCC2 ZINC000279368397 443566387 /nfs/dbraw/zinc/56/63/87/443566387.db2.gz LHARLKKNIAYSSR-SFHVURJKSA-N 2 0 343.471 1.150 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000267764374 443569652 /nfs/dbraw/zinc/56/96/52/443569652.db2.gz KIKPRKWHGKVFPA-KRWDZBQOSA-N 2 0 344.459 1.036 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)ccn1 ZINC000272261031 443572214 /nfs/dbraw/zinc/57/22/14/443572214.db2.gz APORXECWKMWWAQ-GOEBONIOSA-N 2 0 332.448 1.188 20 0 EDADRP CC[C@@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[NH+](CC)CC ZINC000273141692 443549391 /nfs/dbraw/zinc/54/93/91/443549391.db2.gz UPVAOOZMVRPBRF-MOPGFXCFSA-N 2 0 347.503 1.990 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431021250 319937165 /nfs/dbraw/zinc/93/71/65/319937165.db2.gz BGWFYRGSWIUPAN-AWEZNQCLSA-N 2 0 345.443 1.860 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](CCO)CCCOC)CC1 ZINC000438339511 320033843 /nfs/dbraw/zinc/03/38/43/320033843.db2.gz IGDAAHTUHCKKKA-UHFFFAOYSA-N 2 0 335.492 1.659 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000441055724 320086947 /nfs/dbraw/zinc/08/69/47/320086947.db2.gz ZDJWDODGOYKDEV-XJKCOSOUSA-N 2 0 326.510 1.348 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccnn2C2CCCC2)CC1 ZINC000449017101 320174090 /nfs/dbraw/zinc/17/40/90/320174090.db2.gz GXKJBYPGPBGXSB-UHFFFAOYSA-N 2 0 347.507 1.888 20 0 EDADRP C[C@H]1CSC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449216285 320179041 /nfs/dbraw/zinc/17/90/41/320179041.db2.gz RBXLFHYCVNEBBN-BHYGNILZSA-N 2 0 335.517 1.617 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000449376440 320185554 /nfs/dbraw/zinc/18/55/54/320185554.db2.gz LNGSZFNMMZKXPN-ZIAGYGMSSA-N 2 0 340.265 1.827 20 0 EDADRP C[NH+](C)CCOCCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455841693 320304513 /nfs/dbraw/zinc/30/45/13/320304513.db2.gz FDVUCKPWHSBHHM-KRWDZBQOSA-N 2 0 334.464 1.935 20 0 EDADRP CC(C)(CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000457449097 320326302 /nfs/dbraw/zinc/32/63/02/320326302.db2.gz FSMONPQIAJIMGD-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000457617921 320331445 /nfs/dbraw/zinc/33/14/45/320331445.db2.gz BPMQGZABFLEOBN-INIZCTEOSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711505 320339186 /nfs/dbraw/zinc/33/91/86/320339186.db2.gz FOYGQIWKYMZPNG-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP COc1ccccc1-c1ncc(C[NH2+]CCOCC[NH+](C)C)cn1 ZINC000491349004 320369060 /nfs/dbraw/zinc/36/90/60/320369060.db2.gz UDFHYJPWCCTBSF-UHFFFAOYSA-N 2 0 330.432 1.820 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000512420761 320428396 /nfs/dbraw/zinc/42/83/96/320428396.db2.gz FFBPTNQUHVPBOK-JYJNAYRXSA-N 2 0 340.512 1.467 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@](C)(C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000280341394 443697973 /nfs/dbraw/zinc/69/79/73/443697973.db2.gz SBLDAQDVDNAAGO-FQEVSTJZSA-N 2 0 344.503 1.914 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)S(C)(=O)=O ZINC000540144387 320758163 /nfs/dbraw/zinc/75/81/63/320758163.db2.gz ZBLPBPISVPZCCP-KGLIPLIRSA-N 2 0 328.478 1.711 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277164192 443924541 /nfs/dbraw/zinc/92/45/41/443924541.db2.gz KICGCUVDYSGJCY-ZWKOTPCHSA-N 2 0 336.476 1.989 20 0 EDADRP COCCOCC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285371738 443959919 /nfs/dbraw/zinc/95/99/19/443959919.db2.gz FZQSHNHTHKXPOO-UHFFFAOYSA-N 2 0 335.492 1.399 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1nccs1 ZINC000299559860 444079968 /nfs/dbraw/zinc/07/99/68/444079968.db2.gz MXROQKOGOZFYDZ-UHFFFAOYSA-N 2 0 346.460 1.872 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC3CC[NH+](C)CC3)CC2)CC1 ZINC000557418037 321004065 /nfs/dbraw/zinc/00/40/65/321004065.db2.gz MKNODXHPGLSJMC-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000562815558 321078379 /nfs/dbraw/zinc/07/83/79/321078379.db2.gz CBSPQDWNNBCDNT-HUUCEWRRSA-N 2 0 347.463 1.310 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NC3CCN(c4ccccn4)CC3)C2)C1 ZINC000564393696 321128930 /nfs/dbraw/zinc/12/89/30/321128930.db2.gz OQJCVQSUEVBUGP-LJQANCHMSA-N 2 0 343.475 1.788 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000564823651 321149932 /nfs/dbraw/zinc/14/99/32/321149932.db2.gz PTBILMDPHUESQP-WDSOQIARSA-N 2 0 335.492 1.619 20 0 EDADRP C[C@@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000564824332 321150323 /nfs/dbraw/zinc/15/03/23/321150323.db2.gz FGQJTNIRNWMYNJ-PGZVSCLCSA-N 2 0 348.491 1.537 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000564909691 321155915 /nfs/dbraw/zinc/15/59/15/321155915.db2.gz NYSOAFJYHZZSBZ-UHFFFAOYSA-N 2 0 332.492 1.438 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000565360880 321183375 /nfs/dbraw/zinc/18/33/75/321183375.db2.gz CADGWNUHLBQPLH-JKSUJKDBSA-N 2 0 337.508 1.914 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)COc1ccccc1 ZINC000566116818 321217341 /nfs/dbraw/zinc/21/73/41/321217341.db2.gz QQONLYPYIUNNEZ-BHIYHBOVSA-N 2 0 334.460 1.394 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000566176492 321221387 /nfs/dbraw/zinc/22/13/87/321221387.db2.gz NPBXDICCWJFMRZ-HUUCEWRRSA-N 2 0 325.522 1.852 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000567630258 321249954 /nfs/dbraw/zinc/24/99/54/321249954.db2.gz SVLDVNNDWKOUQS-IYBDPMFKSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]CCC(=O)Nc2cccnc2)ccn1 ZINC000567686349 321252351 /nfs/dbraw/zinc/25/23/51/321252351.db2.gz CBSMRBALTCUGCH-UHFFFAOYSA-N 2 0 343.431 1.535 20 0 EDADRP C[NH+]1CCC(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000567733765 321255886 /nfs/dbraw/zinc/25/58/86/321255886.db2.gz QOIBJNJRELJCTI-UHFFFAOYSA-N 2 0 346.475 1.251 20 0 EDADRP CC(C)[NH+](CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(C)C ZINC000568261898 321284782 /nfs/dbraw/zinc/28/47/82/321284782.db2.gz VNGZOCADMZYCPX-OAHLLOKOSA-N 2 0 336.484 1.441 20 0 EDADRP CCc1noc(-c2ccc(CC[NH2+]C[C@@H](O)CN(C)C3CC3)cc2)n1 ZINC000568501537 321294431 /nfs/dbraw/zinc/29/44/31/321294431.db2.gz YTZHQGMPKYFZTM-QGZVFWFLSA-N 2 0 344.459 1.886 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000568748089 321304955 /nfs/dbraw/zinc/30/49/55/321304955.db2.gz ADCIFWBFFFXLKA-CZUORRHYSA-N 2 0 345.491 1.581 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000568991061 321313865 /nfs/dbraw/zinc/31/38/65/321313865.db2.gz JXKVFZFQJIOPMW-QZTJIDSGSA-N 2 0 335.492 1.269 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000569250394 321322975 /nfs/dbraw/zinc/32/29/75/321322975.db2.gz PLSDXBQJRBBDIF-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C1 ZINC000569966069 321332166 /nfs/dbraw/zinc/33/21/66/321332166.db2.gz BTHDJMBDEZRWMQ-OAGGEKHMSA-N 2 0 348.495 1.128 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc(C(C)=O)cc2)CC1 ZINC000570082111 321336991 /nfs/dbraw/zinc/33/69/91/321336991.db2.gz QCEVSCQODYJLSL-SFHVURJKSA-N 2 0 334.460 1.950 20 0 EDADRP CN(C(=O)Cn1ccnc1)[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570544865 321346695 /nfs/dbraw/zinc/34/66/95/321346695.db2.gz OJSYYSJBWOOHID-ROUUACIJSA-N 2 0 347.507 1.679 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)c2)CC1 ZINC000570543429 321346827 /nfs/dbraw/zinc/34/68/27/321346827.db2.gz HLPIQVKTNMLTIZ-KRWDZBQOSA-N 2 0 347.463 1.020 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000570572556 321348782 /nfs/dbraw/zinc/34/87/82/321348782.db2.gz AHVAEAMDLABXNC-WMLDXEAASA-N 2 0 346.475 1.695 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000571387883 321385497 /nfs/dbraw/zinc/38/54/97/321385497.db2.gz NWBIVXAKJHNOHT-KRWDZBQOSA-N 2 0 336.480 1.050 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000571743673 321399357 /nfs/dbraw/zinc/39/93/57/321399357.db2.gz MYHPZRVPXTZCNP-HOTGVXAUSA-N 2 0 348.495 1.831 20 0 EDADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cn(C)c(=O)n(C)c1=O ZINC000289461959 444150958 /nfs/dbraw/zinc/15/09/58/444150958.db2.gz ONPLVGZWDKEHCX-UHFFFAOYSA-N 2 0 344.459 1.168 20 0 EDADRP CC(C)n1cc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000289533554 444166378 /nfs/dbraw/zinc/16/63/78/444166378.db2.gz CBAACEGNXILAIN-UHFFFAOYSA-N 2 0 343.479 1.556 20 0 EDADRP CC(C)C[C@H](CNc1cc(-n2cccn2)nc(N)n1)[NH+]1CCOCC1 ZINC000301629019 444182938 /nfs/dbraw/zinc/18/29/38/444182938.db2.gz HXVMCLYZDBCQRO-CQSZACIVSA-N 2 0 345.451 1.403 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000576220482 321547815 /nfs/dbraw/zinc/54/78/15/321547815.db2.gz RYRZXMAUBKCCNY-IBGZPJMESA-N 2 0 335.492 1.180 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000304316009 444246779 /nfs/dbraw/zinc/24/67/79/444246779.db2.gz OIBJYZBJHJTUDB-WOJBJXKFSA-N 2 0 347.503 1.133 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000576495848 321571831 /nfs/dbraw/zinc/57/18/31/321571831.db2.gz ZWCMBFRWEFJPDB-LPHOPBHVSA-N 2 0 335.492 1.510 20 0 EDADRP COc1cc2c(c(CN(CCO)C3CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000305161681 444261874 /nfs/dbraw/zinc/26/18/74/444261874.db2.gz BUOMXJFSOUCVFC-AWEZNQCLSA-N 2 0 334.460 1.907 20 0 EDADRP Cc1nccn1C[C@H]1CCCN1C(=O)[C@@H]1CCn2c(C)ncc2C1 ZINC000290358402 444271515 /nfs/dbraw/zinc/27/15/15/444271515.db2.gz LIHSINPQULWDQV-HZPDHXFCSA-N 2 0 327.432 1.950 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000290031765 444233379 /nfs/dbraw/zinc/23/33/79/444233379.db2.gz RVZSAJFAHOMWSE-RVKKMQEKSA-N 2 0 333.476 1.754 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C(C)(C)C)(N2CCOCC2)CC1 ZINC000577204325 321632627 /nfs/dbraw/zinc/63/26/27/321632627.db2.gz GYZTVTOUQWGNIG-UHFFFAOYSA-N 2 0 349.523 1.593 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000577270791 321638526 /nfs/dbraw/zinc/63/85/26/321638526.db2.gz KPOXUYRZIHZULO-OALUTQOASA-N 2 0 345.487 1.830 20 0 EDADRP CC(=O)NC1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000290528221 444292032 /nfs/dbraw/zinc/29/20/32/444292032.db2.gz ZFOZHAJWHGOLOK-UHFFFAOYSA-N 2 0 348.491 1.949 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CO2 ZINC000297826137 444339305 /nfs/dbraw/zinc/33/93/05/444339305.db2.gz RONHANIVYVGZMX-IRXDYDNUSA-N 2 0 334.460 1.825 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000325244063 444363273 /nfs/dbraw/zinc/36/32/73/444363273.db2.gz YLZPLCWDABAYMZ-BZSNNMDCSA-N 2 0 338.540 1.400 20 0 EDADRP C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cn[nH]c1 ZINC000340514915 444421348 /nfs/dbraw/zinc/42/13/48/444421348.db2.gz QKAXSMMTCQBCBH-PBHICJAKSA-N 2 0 329.448 1.349 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21)[NH+]1CCN(C)CC1 ZINC000327069104 444380367 /nfs/dbraw/zinc/38/03/67/444380367.db2.gz KUASLJDWUFOLMP-MOPGFXCFSA-N 2 0 344.503 1.262 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000579246971 321908635 /nfs/dbraw/zinc/90/86/35/321908635.db2.gz NFLVDCPVUPQEFX-HKUYNNGSSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CN1C1CC1 ZINC000329188916 444496060 /nfs/dbraw/zinc/49/60/60/444496060.db2.gz QPSHCRWNCFEXMW-BFHYXJOUSA-N 2 0 327.494 1.158 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H]1c1cccs1 ZINC000580052503 322002065 /nfs/dbraw/zinc/00/20/65/322002065.db2.gz IVABGFPQUAYTIN-CNBXADPUSA-N 2 0 334.489 1.648 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000580075525 322006395 /nfs/dbraw/zinc/00/63/95/322006395.db2.gz HAWIFQLXWRPRRM-FYQPLNBISA-N 2 0 347.503 1.136 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)CC[NH2+]C3CC3)CC2)oc1C ZINC000580094665 322009874 /nfs/dbraw/zinc/00/98/74/322009874.db2.gz RPJKDZCAAYXESS-UHFFFAOYSA-N 2 0 334.464 1.762 20 0 EDADRP CC(C)(CNC(=O)N[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000580539637 322063353 /nfs/dbraw/zinc/06/33/53/322063353.db2.gz ZDSSUVMTBCUFRM-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000580540149 322063608 /nfs/dbraw/zinc/06/36/08/322063608.db2.gz LHQMGQXPSMLZIV-NVXWUHKLSA-N 2 0 341.459 1.800 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580785432 322096202 /nfs/dbraw/zinc/09/62/02/322096202.db2.gz DDOMMDOLQLXNGW-IRXDYDNUSA-N 2 0 331.464 1.439 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(CN2CCOCC2)c1 ZINC000581240053 322152646 /nfs/dbraw/zinc/15/26/46/322152646.db2.gz PPPQRQHTGIIINT-CRAIPNDOSA-N 2 0 346.475 1.316 20 0 EDADRP CCN(CCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000581535768 322188126 /nfs/dbraw/zinc/18/81/26/322188126.db2.gz WBFGUSFIDPVCCM-IBGZPJMESA-N 2 0 334.508 1.101 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000581606038 322198342 /nfs/dbraw/zinc/19/83/42/322198342.db2.gz NZNNVTNTYQRMKG-LJHODMEESA-N 2 0 328.460 1.723 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCn4ccnc43)CC[C@H]21 ZINC000332683278 444526853 /nfs/dbraw/zinc/52/68/53/444526853.db2.gz KPWZZGWKRRIVBF-BZUAXINKSA-N 2 0 331.464 1.886 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000342202106 444561579 /nfs/dbraw/zinc/56/15/79/444561579.db2.gz HDGZQQZWVSPXDX-CEXWTWQISA-N 2 0 347.503 1.858 20 0 EDADRP C[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC1 ZINC000332850350 444573190 /nfs/dbraw/zinc/57/31/90/444573190.db2.gz VISXOZNPZVLVRU-IRXDYDNUSA-N 2 0 338.496 1.148 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333014885 444629244 /nfs/dbraw/zinc/62/92/44/444629244.db2.gz WRUVQMYTRJURRB-KSZLIROESA-N 2 0 337.508 1.745 20 0 EDADRP CN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCC[NH2+]CC1 ZINC000333579611 444682324 /nfs/dbraw/zinc/68/23/24/444682324.db2.gz UBIIDXWZYIGBHO-MGMWPHTOSA-N 2 0 334.508 1.924 20 0 EDADRP Cc1cnc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000341029114 444640499 /nfs/dbraw/zinc/64/04/99/444640499.db2.gz VBAMLCFILWBPBE-UHFFFAOYSA-N 2 0 343.479 1.211 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342342604 444642533 /nfs/dbraw/zinc/64/25/33/444642533.db2.gz DXAFTPBZVAEXBO-RDJZCZTQSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342342600 444642878 /nfs/dbraw/zinc/64/28/78/444642878.db2.gz DXAFTPBZVAEXBO-DOTOQJQBSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000333660423 444688563 /nfs/dbraw/zinc/68/85/63/444688563.db2.gz LMAANGNMDZYWFW-AHEZYBDSSA-N 2 0 348.466 1.911 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342694593 444818741 /nfs/dbraw/zinc/81/87/41/444818741.db2.gz OFBNLRFABJXYBI-HZPDHXFCSA-N 2 0 333.432 1.048 20 0 EDADRP CCN1C[C@H]([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000344212697 444842626 /nfs/dbraw/zinc/84/26/26/444842626.db2.gz LXAYPMBWATUHHJ-YJBOKZPZSA-N 2 0 332.492 1.408 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000342764272 444855171 /nfs/dbraw/zinc/85/51/71/444855171.db2.gz HARMNIPRNBGTCE-MCIONIFRSA-N 2 0 327.469 1.140 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000344253234 444865047 /nfs/dbraw/zinc/86/50/47/444865047.db2.gz NCPNWSCPFRZLCO-WBVHZDCISA-N 2 0 340.512 1.658 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000344510435 445023187 /nfs/dbraw/zinc/02/31/87/445023187.db2.gz GXTAEPQMQCYTOT-MRXNPFEDSA-N 2 0 328.501 1.109 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000339060512 445013531 /nfs/dbraw/zinc/01/35/31/445013531.db2.gz ZJVYDJARBKOGKI-NSISKUIASA-N 2 0 349.494 1.687 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000337373723 445053187 /nfs/dbraw/zinc/05/31/87/445053187.db2.gz QEDPALPTOGAWDA-HNNXBMFYSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCC1 ZINC000337373725 445053615 /nfs/dbraw/zinc/05/36/15/445053615.db2.gz QEDPALPTOGAWDA-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000344616503 445088368 /nfs/dbraw/zinc/08/83/68/445088368.db2.gz NKEGVLJSGXLFPZ-SJORKVTESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000342025471 445130191 /nfs/dbraw/zinc/13/01/91/445130191.db2.gz NEAVHQYKHCVDGD-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCCO1 ZINC000337558526 445136684 /nfs/dbraw/zinc/13/66/84/445136684.db2.gz YUVYVWLIZGYKNH-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000341986428 445108375 /nfs/dbraw/zinc/10/83/75/445108375.db2.gz UUMALLXBKZKUJK-UKRRQHHQSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000343278021 445174680 /nfs/dbraw/zinc/17/46/80/445174680.db2.gz IOCJRAYZYNOMEW-ICSRJNTNSA-N 2 0 330.520 1.734 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345576750 445191173 /nfs/dbraw/zinc/19/11/73/445191173.db2.gz REEYBJVCQUEKGO-INIZCTEOSA-N 2 0 342.528 1.453 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342099 445205605 /nfs/dbraw/zinc/20/56/05/445205605.db2.gz ULACLOCPPWNIRR-MSOLQXFVSA-N 2 0 330.476 1.104 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000346172731 445207355 /nfs/dbraw/zinc/20/73/55/445207355.db2.gz XHVGOPGQUNGXHR-OAHLLOKOSA-N 2 0 333.476 1.571 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCC[N@@H+]1C ZINC000345735019 445197583 /nfs/dbraw/zinc/19/75/83/445197583.db2.gz CYUWFZCGILCUQB-GOEBONIOSA-N 2 0 326.485 1.221 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[NH+](CC)C2CC2)CC[N@@H+]1CCOC ZINC000347078532 445231116 /nfs/dbraw/zinc/23/11/16/445231116.db2.gz XXEBLDLZQKVLQW-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000351767310 445313892 /nfs/dbraw/zinc/31/38/92/445313892.db2.gz GJSULXILVIYSHQ-IKGGRYGDSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000343655304 445285448 /nfs/dbraw/zinc/28/54/48/445285448.db2.gz OXNJLXVLGJKKEQ-MAUKXSAKSA-N 2 0 348.491 1.909 20 0 EDADRP COC(=O)[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000351716114 445289420 /nfs/dbraw/zinc/28/94/20/445289420.db2.gz MKVGPPFSCQUXRN-QGZVFWFLSA-N 2 0 341.496 1.354 20 0 EDADRP O=C(C[NH2+][C@@H]1CCC[C@H]1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000348459632 445298647 /nfs/dbraw/zinc/29/86/47/445298647.db2.gz SIZMERGPVDBIQM-ZIAGYGMSSA-N 2 0 331.407 1.479 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848646 445341724 /nfs/dbraw/zinc/34/17/24/445341724.db2.gz DPWPTJUTIMLPGX-VHSXEESVSA-N 2 0 327.331 1.616 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351861401 445346114 /nfs/dbraw/zinc/34/61/14/445346114.db2.gz LDGNPSUWZMKNQC-BBWFWOEESA-N 2 0 330.476 1.393 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000351881825 445353451 /nfs/dbraw/zinc/35/34/51/445353451.db2.gz LEBNMCVWMYKNQV-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351884983 445354704 /nfs/dbraw/zinc/35/47/04/445354704.db2.gz CLERIEVWKYOWEW-DOTOQJQBSA-N 2 0 340.512 1.469 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000359742457 445402971 /nfs/dbraw/zinc/40/29/71/445402971.db2.gz JLMVLRAAODFXJT-RDJZCZTQSA-N 2 0 325.497 1.866 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNCc2nccn2-c2ccccc2)C1 ZINC000359764117 445415312 /nfs/dbraw/zinc/41/53/12/445415312.db2.gz IVSWZBPPFFIORI-MRXNPFEDSA-N 2 0 341.459 1.549 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NCCOc1ccc(F)cc1 ZINC000357084232 445417464 /nfs/dbraw/zinc/41/74/64/445417464.db2.gz PGTBJJGXNGVIPL-INIZCTEOSA-N 2 0 349.450 1.642 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000362718412 445516532 /nfs/dbraw/zinc/51/65/32/445516532.db2.gz XBFXZCZZARUJSB-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP O=C1CNCCN1[C@H]1CCCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000362673567 445492698 /nfs/dbraw/zinc/49/26/98/445492698.db2.gz OXQCTQQFQXZTIJ-SWQCVOCJSA-N 2 0 335.398 1.874 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000355818594 445493342 /nfs/dbraw/zinc/49/33/42/445493342.db2.gz GQPYVZBQGZNOIZ-UHFFFAOYSA-N 2 0 346.519 1.752 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000355983909 445557380 /nfs/dbraw/zinc/55/73/80/445557380.db2.gz IYMZGAIPGLTUGN-LJQANCHMSA-N 2 0 346.475 1.017 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000357644897 445572836 /nfs/dbraw/zinc/57/28/36/445572836.db2.gz ZYZOKGUWHZZJJB-PMPSAXMXSA-N 2 0 328.501 1.514 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)CC1 ZINC000362843848 445577541 /nfs/dbraw/zinc/57/75/41/445577541.db2.gz RKDQLNLFVJHLHV-QGZVFWFLSA-N 2 0 340.512 1.469 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H](C)[NH+](CC)CC ZINC000349434271 445586972 /nfs/dbraw/zinc/58/69/72/445586972.db2.gz OYCVWTVMHYDDSB-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccccc1C[NH+](C)C ZINC000362768596 445540872 /nfs/dbraw/zinc/54/08/72/445540872.db2.gz FOIRWFAHPKKTDW-UHFFFAOYSA-N 2 0 346.519 1.846 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000360166693 445607440 /nfs/dbraw/zinc/60/74/40/445607440.db2.gz ZLPTVFSZQWKGNQ-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000360171051 445609957 /nfs/dbraw/zinc/60/99/57/445609957.db2.gz MQBZVDVXWZNCSN-CVEARBPZSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000360210403 445630234 /nfs/dbraw/zinc/63/02/34/445630234.db2.gz XVTMHMXZWLFECT-IRXDYDNUSA-N 2 0 337.439 1.654 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cn1 ZINC000358520383 445630685 /nfs/dbraw/zinc/63/06/85/445630685.db2.gz HCELBWAIRFPUGC-HNNXBMFYSA-N 2 0 336.484 1.070 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000362990801 445640927 /nfs/dbraw/zinc/64/09/27/445640927.db2.gz PXMJYDRRNUNHNE-FUHWJXTLSA-N 2 0 336.524 1.201 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C[C@@H]1CC ZINC000353431664 445598497 /nfs/dbraw/zinc/59/84/97/445598497.db2.gz RHYMQESSMKGGAD-BBWFWOEESA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363018338 445651709 /nfs/dbraw/zinc/65/17/09/445651709.db2.gz RYVBVADLTQOWJF-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cnn(CC(F)F)c1 ZINC000353552351 445653481 /nfs/dbraw/zinc/65/34/81/445653481.db2.gz XYJQTWRPJVZLTQ-UHFFFAOYSA-N 2 0 343.466 1.998 20 0 EDADRP [NH3+]C1(C(=O)N2CCC[N@H+](CCCc3ccccc3)CC2)CCOCC1 ZINC000353625526 445681497 /nfs/dbraw/zinc/68/14/97/445681497.db2.gz AYYJSMDWSJYIQN-UHFFFAOYSA-N 2 0 345.487 1.661 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000349899634 445716187 /nfs/dbraw/zinc/71/61/87/445716187.db2.gz WLZBWPSBMLUEKR-BRWVUGGUSA-N 2 0 325.497 1.819 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCSC1 ZINC000353768495 445746033 /nfs/dbraw/zinc/74/60/33/445746033.db2.gz AYFMCOSIMOTQAW-INIZCTEOSA-N 2 0 348.516 1.853 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000350052629 445758738 /nfs/dbraw/zinc/75/87/38/445758738.db2.gz TWCBLUPDQQGLGW-HUUCEWRRSA-N 2 0 339.480 1.251 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863236 445817642 /nfs/dbraw/zinc/81/76/42/445817642.db2.gz VLULMCNBTLNTBM-YOEHRIQHSA-N 2 0 336.455 1.010 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000363358622 445780423 /nfs/dbraw/zinc/78/04/23/445780423.db2.gz HYZJEAXBTQNCQM-QZTJIDSGSA-N 2 0 347.507 1.972 20 0 EDADRP Cc1nc(C)c([C@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)s1 ZINC000361482146 445781379 /nfs/dbraw/zinc/78/13/79/445781379.db2.gz VDHPNCVLUDWNHH-AWEZNQCLSA-N 2 0 340.537 1.801 20 0 EDADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000354014231 445855810 /nfs/dbraw/zinc/85/58/10/445855810.db2.gz KXZULWWYDMICPZ-JKSUJKDBSA-N 2 0 349.479 1.036 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350620290 445857657 /nfs/dbraw/zinc/85/76/57/445857657.db2.gz VEQCVMRYIFNMHZ-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP Cn1cc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000354036689 445867335 /nfs/dbraw/zinc/86/73/35/445867335.db2.gz AQLYLXHWCIFLLK-UHFFFAOYSA-N 2 0 343.435 1.149 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000363683797 445869419 /nfs/dbraw/zinc/86/94/19/445869419.db2.gz UFYZILINSCRPKE-GVDBMIGSSA-N 2 0 336.480 1.119 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000372997807 445966118 /nfs/dbraw/zinc/96/61/18/445966118.db2.gz KIXWEUQDJPCINF-FUHWJXTLSA-N 2 0 334.508 1.987 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000365989432 445946450 /nfs/dbraw/zinc/94/64/50/445946450.db2.gz AEMWTKCDORXAFP-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)C(C)(C)C[NH+](C)C ZINC000354242607 446037546 /nfs/dbraw/zinc/03/75/46/446037546.db2.gz YCQZHXPEEXXHGQ-QLFBSQMISA-N 2 0 328.501 1.059 20 0 EDADRP c1c(CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)nc2ccccn12 ZINC000359224172 446054124 /nfs/dbraw/zinc/05/41/24/446054124.db2.gz RNOMOPBXXDOIIU-UHFFFAOYSA-N 2 0 327.476 1.842 20 0 EDADRP C[C@@]1(F)CNCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000583692980 326120636 /nfs/dbraw/zinc/12/06/36/326120636.db2.gz SGKNTFCVJZJRES-IEBWSBKVSA-N 2 0 349.450 1.438 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000583860142 326153627 /nfs/dbraw/zinc/15/36/27/326153627.db2.gz OZORPVGNRITVJQ-RDJZCZTQSA-N 2 0 331.464 1.261 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)cc1 ZINC000583919418 326165058 /nfs/dbraw/zinc/16/50/58/326165058.db2.gz RCQMLBKOQMYPMI-PVARCSIZSA-N 2 0 331.460 1.903 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000359280069 446116204 /nfs/dbraw/zinc/11/62/04/446116204.db2.gz WBWLMGDZDSUPME-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366269993 446118605 /nfs/dbraw/zinc/11/86/05/446118605.db2.gz VRJWDWPJZBHGRX-FUHWJXTLSA-N 2 0 338.496 1.080 20 0 EDADRP C[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365275231 446120328 /nfs/dbraw/zinc/12/03/28/446120328.db2.gz NWLRPSGFVPJMQK-DLBZAZTESA-N 2 0 335.492 1.573 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351591468 446188124 /nfs/dbraw/zinc/18/81/24/446188124.db2.gz FGGAAVLCXJVWEV-WOJBJXKFSA-N 2 0 347.503 1.010 20 0 EDADRP Cc1ccc(NCCCNC(=O)NC[C@H]2CCn3ccnc3C2)nc1 ZINC000370173015 446188202 /nfs/dbraw/zinc/18/82/02/446188202.db2.gz MDOGBPYXMGEZMI-HNNXBMFYSA-N 2 0 342.447 1.950 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]2CCC1CC2 ZINC000370281260 446211166 /nfs/dbraw/zinc/21/11/66/446211166.db2.gz YSGMYBUAHYZCJC-UHFFFAOYSA-N 2 0 342.487 1.924 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)C[C@H](C)O1 ZINC000370296719 446220216 /nfs/dbraw/zinc/22/02/16/446220216.db2.gz DJJQKRPFTSZNKC-XDNAFOTISA-N 2 0 337.508 1.866 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000366521528 446247443 /nfs/dbraw/zinc/24/74/43/446247443.db2.gz ZDXDWYXJVUYQBK-QZTJIDSGSA-N 2 0 347.528 1.905 20 0 EDADRP CC(C)(C)OC(=O)NCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370458226 446286518 /nfs/dbraw/zinc/28/65/18/446286518.db2.gz XHRZIHQSDZIPIC-UHFFFAOYSA-N 2 0 341.496 1.945 20 0 EDADRP C[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000366687353 446310214 /nfs/dbraw/zinc/31/02/14/446310214.db2.gz MZCACOUVYNCXCN-BZUAXINKSA-N 2 0 325.497 1.553 20 0 EDADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000362315709 446317041 /nfs/dbraw/zinc/31/70/41/446317041.db2.gz DEHJHONTCADAQQ-LJQANCHMSA-N 2 0 342.487 1.653 20 0 EDADRP COc1ccccc1CCNC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000365764546 446333317 /nfs/dbraw/zinc/33/33/17/446333317.db2.gz LJPWMUDYQYXUJR-MRXNPFEDSA-N 2 0 342.443 1.957 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417332382 446345347 /nfs/dbraw/zinc/34/53/47/446345347.db2.gz QYSPRWNSQAQSPT-XUWVNRHRSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601612 446351375 /nfs/dbraw/zinc/35/13/75/446351375.db2.gz KMOUHEUIANOXJI-ROUUACIJSA-N 2 0 341.459 1.966 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417482982 446353866 /nfs/dbraw/zinc/35/38/66/446353866.db2.gz QQDBHDPLDOINRV-RHSMWYFYSA-N 2 0 334.464 1.648 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CCSCC2)CCN1C1CC[NH+](C)CC1 ZINC000376151966 446356811 /nfs/dbraw/zinc/35/68/11/446356811.db2.gz SPMKKKYPKURNEX-CQSZACIVSA-N 2 0 340.537 1.692 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)COC(C)C ZINC000374294864 446361125 /nfs/dbraw/zinc/36/11/25/446361125.db2.gz STJZZQQOBRSWHT-HNNXBMFYSA-N 2 0 337.512 1.774 20 0 EDADRP COC[C@]1(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000417528714 446361435 /nfs/dbraw/zinc/36/14/35/446361435.db2.gz FNHKOYBARDSHCT-HLLBOEOZSA-N 2 0 326.485 1.317 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417535183 446362826 /nfs/dbraw/zinc/36/28/26/446362826.db2.gz BMPNZSWYLNCYMF-CABCVRRESA-N 2 0 340.512 1.693 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417760102 446371833 /nfs/dbraw/zinc/37/18/33/446371833.db2.gz FLIFBLGFPOPHAZ-MRXNPFEDSA-N 2 0 339.528 1.234 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000417950102 446396110 /nfs/dbraw/zinc/39/61/10/446396110.db2.gz VPZOXYGAHICADM-BRSBDYLESA-N 2 0 346.475 1.580 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000418138540 446441408 /nfs/dbraw/zinc/44/14/08/446441408.db2.gz GJTSILQSJOHPFA-MRXNPFEDSA-N 2 0 326.485 1.319 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)nnn1-c1ccc(F)cc1 ZINC000423203134 446453129 /nfs/dbraw/zinc/45/31/29/446453129.db2.gz MDKBFSSAEYVVNI-CYBMUJFWSA-N 2 0 332.427 1.271 20 0 EDADRP CCCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000420281365 446448041 /nfs/dbraw/zinc/44/80/41/446448041.db2.gz ANXCFMZAYBHHOV-QZTJIDSGSA-N 2 0 332.492 1.479 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418183066 446449300 /nfs/dbraw/zinc/44/93/00/446449300.db2.gz NUTQGURRJGRKCO-BQFCYCMXSA-N 2 0 348.491 1.745 20 0 EDADRP COc1cccc(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000420283219 446449793 /nfs/dbraw/zinc/44/97/93/446449793.db2.gz BYDJTBINDFDSQY-INIZCTEOSA-N 2 0 347.459 1.218 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417961495 446401515 /nfs/dbraw/zinc/40/15/15/446401515.db2.gz BJYUGZCNEDDULE-GDBMZVCRSA-N 2 0 331.464 1.677 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417961498 446401715 /nfs/dbraw/zinc/40/17/15/446401715.db2.gz BJYUGZCNEDDULE-GOEBONIOSA-N 2 0 331.464 1.677 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000417963506 446401819 /nfs/dbraw/zinc/40/18/19/446401819.db2.gz DOIJHOZCBFNQIZ-CQSZACIVSA-N 2 0 341.406 1.580 20 0 EDADRP COC(=O)C(C)(C)CC[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374809468 446402513 /nfs/dbraw/zinc/40/25/13/446402513.db2.gz IJHNMTKAAFTJRD-INIZCTEOSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417994763 446410276 /nfs/dbraw/zinc/41/02/76/446410276.db2.gz YZXGHHHCVOFNCB-GXTWGEPZSA-N 2 0 328.407 1.789 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418004007 446412468 /nfs/dbraw/zinc/41/24/68/446412468.db2.gz ZIATVGRIEKRCRX-MAUKXSAKSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000418187109 446452115 /nfs/dbraw/zinc/45/21/15/446452115.db2.gz CWWDVYYCEYZYSR-HUUCEWRRSA-N 2 0 349.479 1.304 20 0 EDADRP C[C@]1(CNC(=O)N(CC[NH3+])CCO)CCC[N@@H+]1Cc1ccccc1 ZINC000418047871 446423855 /nfs/dbraw/zinc/42/38/55/446423855.db2.gz UGOLRIDLMGCIQP-GOSISDBHSA-N 2 0 334.464 1.004 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418191164 446454383 /nfs/dbraw/zinc/45/43/83/446454383.db2.gz KKYGMACMSOVUKI-BGTYHANMSA-N 2 0 328.460 1.510 20 0 EDADRP CSC1(CNC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC[NH+](C)CC1 ZINC000418194650 446455431 /nfs/dbraw/zinc/45/54/31/446455431.db2.gz DTKJOBMTQSDJHZ-ZIAGYGMSSA-N 2 0 328.526 1.725 20 0 EDADRP C[C@@H]1CN(CC(=O)NCCc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000420292682 446456313 /nfs/dbraw/zinc/45/63/13/446456313.db2.gz PVLIXLAGNPVBSO-RHSMWYFYSA-N 2 0 326.444 1.563 20 0 EDADRP COC[C@]1(CNC(=O)NCCCCC[NH+]2CCCC2)CCC[NH2+]1 ZINC000418208368 446459138 /nfs/dbraw/zinc/45/91/38/446459138.db2.gz AIRRZEULMCRZGP-QGZVFWFLSA-N 2 0 326.485 1.320 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000367013544 446461408 /nfs/dbraw/zinc/46/14/08/446461408.db2.gz AKJUWYFDWLJJCY-HOTGVXAUSA-N 2 0 331.526 1.464 20 0 EDADRP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC[C@H]1CC[NH2+]C1 ZINC000420316057 446481314 /nfs/dbraw/zinc/48/13/14/446481314.db2.gz MGWXUMINIXXBLB-OAHLLOKOSA-N 2 0 340.489 1.790 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000423301823 446479842 /nfs/dbraw/zinc/47/98/42/446479842.db2.gz GPPVCZJIKNSZQI-QGZVFWFLSA-N 2 0 333.476 1.535 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314391 446480533 /nfs/dbraw/zinc/48/05/33/446480533.db2.gz VSWFSJHRKWYEQF-MJGOQNOKSA-N 2 0 330.476 1.091 20 0 EDADRP C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420317371 446483557 /nfs/dbraw/zinc/48/35/57/446483557.db2.gz MWXPUWVUQKVWPP-HOTGVXAUSA-N 2 0 348.466 1.770 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+](C)C)cc1 ZINC000423313225 446484121 /nfs/dbraw/zinc/48/41/21/446484121.db2.gz WLZDNLQJZRVTSN-QGZVFWFLSA-N 2 0 344.463 1.222 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000418275947 446481960 /nfs/dbraw/zinc/48/19/60/446481960.db2.gz DUXKJEZBKOIJQT-UHFFFAOYSA-N 2 0 334.464 1.522 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000420325715 446493200 /nfs/dbraw/zinc/49/32/00/446493200.db2.gz BRTBWPPSICIZLN-HZSPNIEDSA-N 2 0 333.398 1.719 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327931 446495760 /nfs/dbraw/zinc/49/57/60/446495760.db2.gz LTLMCKQLAHTFHD-HZPDHXFCSA-N 2 0 349.450 1.642 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332500 446503422 /nfs/dbraw/zinc/50/34/22/446503422.db2.gz SOFBUSACROJFTF-QZTJIDSGSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334059 446504197 /nfs/dbraw/zinc/50/41/97/446504197.db2.gz KZTQMNROMWFQDS-OTWHNJEPSA-N 3 0 344.503 1.337 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335707 446506507 /nfs/dbraw/zinc/50/65/07/446506507.db2.gz LXNZZAXVMAAOKA-BHYGNILZSA-N 2 0 344.459 1.332 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340452 446508018 /nfs/dbraw/zinc/50/80/18/446508018.db2.gz NQTAOJAIQLBFDT-DOTOQJQBSA-N 2 0 331.464 1.439 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423378651 446510501 /nfs/dbraw/zinc/51/05/01/446510501.db2.gz MLMBVWZDLSFZOB-QLFBSQMISA-N 2 0 333.480 1.869 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H](C)C[NH2+]C)CC1 ZINC000418354589 446511753 /nfs/dbraw/zinc/51/17/53/446511753.db2.gz DYPOHHDQTNWZIE-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392378 446514980 /nfs/dbraw/zinc/51/49/80/446514980.db2.gz QHDVYYSNWLDLER-TZMCWYRMSA-N 2 0 331.386 1.223 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418363048 446515555 /nfs/dbraw/zinc/51/55/55/446515555.db2.gz BWGYGJTUUMERFD-RBOXIYTFSA-N 2 0 340.418 1.565 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC(=O)NC1CCCCC1 ZINC000420330226 446498551 /nfs/dbraw/zinc/49/85/51/446498551.db2.gz ALCOYJFMLLRMHZ-GJZGRUSLSA-N 2 0 336.480 1.466 20 0 EDADRP CCC[NH2+]CCNC(=O)N(Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000418489549 446563643 /nfs/dbraw/zinc/56/36/43/446563643.db2.gz NQIUDUZJHDDMCE-AWEZNQCLSA-N 2 0 339.509 1.572 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423533135 446564314 /nfs/dbraw/zinc/56/43/14/446564314.db2.gz WVPGILSGLNDWHZ-IEBWSBKVSA-N 2 0 346.519 1.337 20 0 EDADRP c1ccc2c(c1)C[C@@H]2C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000376542965 446564758 /nfs/dbraw/zinc/56/47/58/446564758.db2.gz RXKBKXMWVWUXBS-LJQANCHMSA-N 2 0 329.488 1.666 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433373817 446565933 /nfs/dbraw/zinc/56/59/33/446565933.db2.gz HKVDETIMRZRCRP-JKSUJKDBSA-N 2 0 342.447 1.235 20 0 EDADRP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCCC[NH2+]C1 ZINC000418368248 446516695 /nfs/dbraw/zinc/51/66/95/446516695.db2.gz LOPWLWVMQDWHRA-HKUYNNGSSA-N 2 0 346.475 1.065 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC[C@H]1Cc2ccccc2O1 ZINC000420345451 446517723 /nfs/dbraw/zinc/51/77/23/446517723.db2.gz VLCIKWQAVFLLHP-IXDOHACOSA-N 2 0 329.444 1.038 20 0 EDADRP [NH3+][C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000423403445 446520106 /nfs/dbraw/zinc/52/01/06/446520106.db2.gz HRFIEZHOAKQMNG-GOSISDBHSA-N 2 0 331.460 1.905 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433389670 446566966 /nfs/dbraw/zinc/56/69/66/446566966.db2.gz MLVPCAQLUQXLNK-INIZCTEOSA-N 2 0 328.501 1.518 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(C)(C)C ZINC000423418758 446526625 /nfs/dbraw/zinc/52/66/25/446526625.db2.gz ICPPMFFXFRYGIS-HOTGVXAUSA-N 2 0 335.496 1.904 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000418393044 446526739 /nfs/dbraw/zinc/52/67/39/446526739.db2.gz QPZGBKGJWQLJOS-INIZCTEOSA-N 2 0 348.491 1.768 20 0 EDADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000423424930 446531189 /nfs/dbraw/zinc/53/11/89/446531189.db2.gz LXNWFZJWMDUFKF-YUTCNCBUSA-N 2 0 325.250 1.915 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418419148 446538697 /nfs/dbraw/zinc/53/86/97/446538697.db2.gz ZAGCSHSCCXKZPP-SJORKVTESA-N 3 0 341.544 1.417 20 0 EDADRP COC1([C@@H](C)[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453124165 446545233 /nfs/dbraw/zinc/54/52/33/446545233.db2.gz NRPPKJPAPLLTFH-IEBWSBKVSA-N 2 0 348.487 1.797 20 0 EDADRP COC1([C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)CCOCC1 ZINC000453101852 446546438 /nfs/dbraw/zinc/54/64/38/446546438.db2.gz ADCRPUHDNBEDJN-INIZCTEOSA-N 2 0 327.513 1.434 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000418452146 446547376 /nfs/dbraw/zinc/54/73/76/446547376.db2.gz XBEAJPVMJKKFRG-HZPDHXFCSA-N 2 0 328.501 1.646 20 0 EDADRP CCOC(=O)c1ccc(N2CCC[N@H+](CC3CC[NH2+]CC3)CC2)nc1 ZINC000420370900 446547868 /nfs/dbraw/zinc/54/78/68/446547868.db2.gz ZKYFCMNWSIUVIV-UHFFFAOYSA-N 2 0 346.475 1.770 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000418454076 446549078 /nfs/dbraw/zinc/54/90/78/446549078.db2.gz AQHGKPKONQBTBV-CQSZACIVSA-N 2 0 335.452 1.439 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453241995 446551268 /nfs/dbraw/zinc/55/12/68/446551268.db2.gz DZNJDKOFYMUWAU-DYEKYZERSA-N 2 0 342.281 1.929 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)CC1 ZINC000411465236 446554941 /nfs/dbraw/zinc/55/49/41/446554941.db2.gz WATFIZBBBUWCEF-FXAWDEMLSA-N 2 0 345.487 1.954 20 0 EDADRP CC[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000420378487 446555272 /nfs/dbraw/zinc/55/52/72/446555272.db2.gz UNLUJOHXNNKART-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000418603016 446611282 /nfs/dbraw/zinc/61/12/82/446611282.db2.gz WJKZZGUKJPEYGR-OFLPRAFFSA-N 2 0 337.512 1.020 20 0 EDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420400510 446572955 /nfs/dbraw/zinc/57/29/55/446572955.db2.gz JSRAYSDJXKQLQS-IAGOWNOFSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000418621346 446618616 /nfs/dbraw/zinc/61/86/16/446618616.db2.gz SFLFMFZBVVCYCH-RDJZCZTQSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CC2CC[NH+](C)CC2)CCCO1 ZINC000433449436 446575379 /nfs/dbraw/zinc/57/53/79/446575379.db2.gz GCIVEYPCANGQDA-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418573145 446599242 /nfs/dbraw/zinc/59/92/42/446599242.db2.gz ZTELKSUPOLEROM-QCSYZSNVSA-N 2 0 346.475 1.438 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064883 446606536 /nfs/dbraw/zinc/60/65/36/446606536.db2.gz NBUBQYGILSRRAR-IRXDYDNUSA-N 2 0 334.439 1.964 20 0 EDADRP CC(C)(C)c1ccccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000420457935 446637083 /nfs/dbraw/zinc/63/70/83/446637083.db2.gz PCFIEZDGLVJQGI-UHFFFAOYSA-N 2 0 327.494 1.672 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000423739749 446671794 /nfs/dbraw/zinc/67/17/94/446671794.db2.gz HXIQTAFHTIVINX-MSOLQXFVSA-N 2 0 336.524 1.395 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000418636019 446626106 /nfs/dbraw/zinc/62/61/06/446626106.db2.gz LRQJZRHMUZDYGY-YTQUADARSA-N 2 0 342.487 1.999 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000411793326 446675635 /nfs/dbraw/zinc/67/56/35/446675635.db2.gz INJZFGPHXXYZAL-IAGOWNOFSA-N 2 0 337.508 1.913 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418641859 446629055 /nfs/dbraw/zinc/62/90/55/446629055.db2.gz SRLDHBCQPGRGJC-BWDFJHHZSA-N 2 0 328.460 1.689 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000418650075 446632720 /nfs/dbraw/zinc/63/27/20/446632720.db2.gz JXLTWOIOLPOLQH-SFHVURJKSA-N 2 0 330.476 1.986 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418771976 446689815 /nfs/dbraw/zinc/68/98/15/446689815.db2.gz PSDIGZSVLLJPDZ-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)CC1 ZINC000423768896 446696357 /nfs/dbraw/zinc/69/63/57/446696357.db2.gz XNCKFSRDDZXCIM-HXUWFJFHSA-N 2 0 344.503 1.347 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418778570 446697597 /nfs/dbraw/zinc/69/75/97/446697597.db2.gz ZSVJWKNJIQKIFA-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@@H]([NH2+]C4CC4)C3)ccc21 ZINC000423812623 446703112 /nfs/dbraw/zinc/70/31/12/446703112.db2.gz DBTBVMXGXSZSQP-QGZVFWFLSA-N 2 0 326.444 1.957 20 0 EDADRP CC[C@H]1CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423826942 446716251 /nfs/dbraw/zinc/71/62/51/446716251.db2.gz PIWDILJFHQXOHZ-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280649 446740160 /nfs/dbraw/zinc/74/01/60/446740160.db2.gz RJVLTRXWCWQAJW-WMZOPIPTSA-N 2 0 330.476 1.361 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423753433 446683385 /nfs/dbraw/zinc/68/33/85/446683385.db2.gz BTPZTHRQRSKWTL-GJZGRUSLSA-N 2 0 335.496 1.737 20 0 EDADRP COC(=O)CCN1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@@H]1C ZINC000423905817 446755594 /nfs/dbraw/zinc/75/55/94/446755594.db2.gz ZLKUUYBCFANKLV-HOCLYGCPSA-N 2 0 339.480 1.380 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371342053 446789772 /nfs/dbraw/zinc/78/97/72/446789772.db2.gz UKRUMWGAMVPTAD-IRXDYDNUSA-N 2 0 325.497 1.678 20 0 EDADRP [NH3+]C1(CNC(=O)C2([NH3+])CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424035363 446827489 /nfs/dbraw/zinc/82/74/89/446827489.db2.gz FOPUPYNGFPJTHX-UHFFFAOYSA-N 3 0 344.503 1.758 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@H]1C[NH3+] ZINC000424067829 446836985 /nfs/dbraw/zinc/83/69/85/446836985.db2.gz HGXYHWFXADCSRP-IXDOHACOSA-N 2 0 337.508 1.853 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000368401949 446839211 /nfs/dbraw/zinc/83/92/11/446839211.db2.gz HQBURXCSHFZESM-GJZGRUSLSA-N 2 0 349.523 1.916 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000424455966 446876450 /nfs/dbraw/zinc/87/64/50/446876450.db2.gz OQFMLLRPKDDNMU-OAHLLOKOSA-N 2 0 346.475 1.630 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000424461765 446878579 /nfs/dbraw/zinc/87/85/79/446878579.db2.gz DESQZJKRHSEPJN-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP CC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)C1 ZINC000420904237 446881645 /nfs/dbraw/zinc/88/16/45/446881645.db2.gz PEFISSOXXRUFJB-LJQANCHMSA-N 2 0 331.460 1.619 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419117549 446934830 /nfs/dbraw/zinc/93/48/30/446934830.db2.gz HLXWIYLUWVTGNF-HZPDHXFCSA-N 2 0 340.512 1.199 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)CC(C)C ZINC000419127858 446939327 /nfs/dbraw/zinc/93/93/27/446939327.db2.gz SVQTXWMBGYWTKM-XHSDSOJGSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000419129390 446939106 /nfs/dbraw/zinc/93/91/06/446939106.db2.gz BAEYUKHBTYDBPZ-IAOVAPTHSA-N 2 0 346.475 1.312 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCC1)C(C)(C)C ZINC000419141287 446952762 /nfs/dbraw/zinc/95/27/62/446952762.db2.gz WOGNBXXHCBOYGH-AWEZNQCLSA-N 2 0 340.512 1.247 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419169171 446985502 /nfs/dbraw/zinc/98/55/02/446985502.db2.gz LUYUFQDLTJIYFA-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425013512 446991784 /nfs/dbraw/zinc/99/17/84/446991784.db2.gz QYCROICVVQXNQG-XGXHKWSGSA-N 2 0 327.472 1.917 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000419264178 447041046 /nfs/dbraw/zinc/04/10/46/447041046.db2.gz ARQCECSPALHXRI-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1cccs1 ZINC000372460459 447062495 /nfs/dbraw/zinc/06/24/95/447062495.db2.gz QJTBLNLDGWXIQD-BZNIZROVSA-N 2 0 345.472 1.540 20 0 EDADRP CC[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000444187717 447092507 /nfs/dbraw/zinc/09/25/07/447092507.db2.gz SNLGJCFGIITIDH-WSTZPKSXSA-N 2 0 327.472 1.939 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1)C1CCCC1 ZINC000372505857 447094715 /nfs/dbraw/zinc/09/47/15/447094715.db2.gz SPBRUMJTVBMWQT-UHFFFAOYSA-N 2 0 340.512 1.349 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419404746 447155659 /nfs/dbraw/zinc/15/56/59/447155659.db2.gz GHKUUUZIEUXDIM-CVEARBPZSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000375930306 447156666 /nfs/dbraw/zinc/15/66/66/447156666.db2.gz HRNREUHFOYPTHO-PKOBYXMFSA-N 2 0 342.487 1.258 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000455422477 447126581 /nfs/dbraw/zinc/12/65/81/447126581.db2.gz ADKSGEWDPNBYQU-BPUTZDHNSA-N 2 0 326.485 1.004 20 0 EDADRP CN(CCCNC(=[NH2+])N[C@H]1CCOc2ccccc21)CC[NH+](C)C ZINC000377437180 447132811 /nfs/dbraw/zinc/13/28/11/447132811.db2.gz ATDFQGLNQHAFGF-INIZCTEOSA-N 2 0 333.480 1.508 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)C[C@@H]3COCC[NH2+]3)C[C@H]2[C@@H]1c1ccccc1 ZINC000375967679 447180438 /nfs/dbraw/zinc/18/04/38/447180438.db2.gz DUSKHIHPEXZBBL-MTNOOBJLSA-N 2 0 329.444 1.126 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419446429 447182034 /nfs/dbraw/zinc/18/20/34/447182034.db2.gz VJAYUISCWBCHMX-HZPDHXFCSA-N 2 0 348.491 1.345 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000377536843 447188542 /nfs/dbraw/zinc/18/85/42/447188542.db2.gz XNQUNQFPUJJNCL-NBOOPKSLSA-N 2 0 345.443 1.028 20 0 EDADRP C[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000455664640 447202081 /nfs/dbraw/zinc/20/20/81/447202081.db2.gz GGGHQIBEFYHENX-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CN2CCc3sccc3C2)C[C@H]1C ZINC000372647823 447204962 /nfs/dbraw/zinc/20/49/62/447204962.db2.gz FFFVHFLNRPJRIV-KGLIPLIRSA-N 2 0 337.489 1.020 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1O ZINC000377617687 447247269 /nfs/dbraw/zinc/24/72/69/447247269.db2.gz BDEQBQDUXXOOKS-QGZVFWFLSA-N 2 0 333.476 1.860 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419501400 447228512 /nfs/dbraw/zinc/22/85/12/447228512.db2.gz BGSOCEPDGBJSQZ-ZIAGYGMSSA-N 2 0 334.464 1.169 20 0 EDADRP CCC[C@]1(CO)CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000377601689 447235974 /nfs/dbraw/zinc/23/59/74/447235974.db2.gz AODWHYPLVIIPFQ-SFHVURJKSA-N 2 0 325.497 1.460 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000376052977 447238385 /nfs/dbraw/zinc/23/83/85/447238385.db2.gz CKEAYNGBCPMMAA-OAHLLOKOSA-N 2 0 329.510 1.405 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000368980884 447244443 /nfs/dbraw/zinc/24/44/43/447244443.db2.gz MVADVBFEHKJRGZ-IAGOWNOFSA-N 2 0 338.496 1.103 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415467999 447459201 /nfs/dbraw/zinc/45/92/01/447459201.db2.gz VWYPEDRXRCOXIL-KRWDZBQOSA-N 2 0 346.475 1.361 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1 ZINC000415469116 447461279 /nfs/dbraw/zinc/46/12/79/447461279.db2.gz WWDSHUAJKNZBRQ-MRXNPFEDSA-N 2 0 334.464 1.566 20 0 EDADRP CCN(C(=O)C(=O)NCC[NH2+]C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419897541 447476647 /nfs/dbraw/zinc/47/66/47/447476647.db2.gz OLHNHMYCVGPWDZ-RDJZCZTQSA-N 2 0 346.475 1.006 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2C1 ZINC000415506533 447485806 /nfs/dbraw/zinc/48/58/06/447485806.db2.gz BDAMXTMFAHCGID-UONOGXRCSA-N 2 0 346.475 1.696 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)c1 ZINC000415515107 447490543 /nfs/dbraw/zinc/49/05/43/447490543.db2.gz CYRQJMVMLAVUQW-GOEBONIOSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C[C@@H](C)O1 ZINC000426781374 447501591 /nfs/dbraw/zinc/50/15/91/447501591.db2.gz BPFSYYSMLPCXDJ-GPMSIDNRSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419938009 447502045 /nfs/dbraw/zinc/50/20/45/447502045.db2.gz WMRJTBFWKMWRSL-BFYDXBDKSA-N 2 0 346.475 1.182 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)NC[C@H](C)C[NH3+])CC1 ZINC000419939721 447503529 /nfs/dbraw/zinc/50/35/29/447503529.db2.gz JLZRTIQOUZECNV-OAHLLOKOSA-N 2 0 340.512 1.058 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000426899216 447514197 /nfs/dbraw/zinc/51/41/97/447514197.db2.gz ZGKAKUIFQDBRQE-INMHGKMJSA-N 2 0 349.475 1.799 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000420088381 447594291 /nfs/dbraw/zinc/59/42/91/447594291.db2.gz BZJSGXFEIPVLQP-GOSISDBHSA-N 2 0 340.512 1.073 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000457555579 447596515 /nfs/dbraw/zinc/59/65/15/447596515.db2.gz MNXQIFUXEWDDAB-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416852927 447697092 /nfs/dbraw/zinc/69/70/92/447697092.db2.gz SSYIEMXNZYVIIF-AZUAARDMSA-N 2 0 344.503 1.944 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416861969 447698238 /nfs/dbraw/zinc/69/82/38/447698238.db2.gz FOUPYKXSEDFIQV-CVEARBPZSA-N 2 0 326.485 1.032 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416869403 447699529 /nfs/dbraw/zinc/69/95/29/447699529.db2.gz NGSGKAPENYHIGT-HZPDHXFCSA-N 2 0 326.485 1.175 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000416887057 447701969 /nfs/dbraw/zinc/70/19/69/447701969.db2.gz HRBPZQFIXMJMNQ-QZTJIDSGSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000457913848 447670071 /nfs/dbraw/zinc/67/00/71/447670071.db2.gz ORKIPUDWDZKQKK-RCCFBDPRSA-N 2 0 330.476 1.505 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CC12CC2 ZINC000416692044 447674168 /nfs/dbraw/zinc/67/41/68/447674168.db2.gz RAZXCFKVKONYGI-MRXNPFEDSA-N 2 0 343.475 1.693 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416812383 447689842 /nfs/dbraw/zinc/68/98/42/447689842.db2.gz DWQGWAQAVUHXPO-HZPDHXFCSA-N 2 0 332.448 1.952 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCOCC2(C)C)CC[NH2+]CC1 ZINC000422701395 447720761 /nfs/dbraw/zinc/72/07/61/447720761.db2.gz BULYEZLUECYUGY-OAHLLOKOSA-N 2 0 341.496 1.008 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416945261 447721203 /nfs/dbraw/zinc/72/12/03/447721203.db2.gz FDVVLSXKKDGOSO-OIISXLGYSA-N 2 0 340.512 1.550 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCCn2nc(C)cc2C)CC[NH2+]CC1 ZINC000422758994 447741273 /nfs/dbraw/zinc/74/12/73/447741273.db2.gz ORHOVPHQICRBRQ-INIZCTEOSA-N 2 0 336.480 1.801 20 0 EDADRP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422813560 447756396 /nfs/dbraw/zinc/75/63/96/447756396.db2.gz ZOPCKCIHFJBIDO-VAMGGRTRSA-N 2 0 329.488 1.791 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000496385708 447761750 /nfs/dbraw/zinc/76/17/50/447761750.db2.gz UGTMEIBOZSPWGK-RVKKMQEKSA-N 2 0 341.496 1.678 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000422825220 447762098 /nfs/dbraw/zinc/76/20/98/447762098.db2.gz PJWGPDGOYQYLDF-GDBMZVCRSA-N 2 0 343.537 1.335 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000422864123 447770496 /nfs/dbraw/zinc/77/04/96/447770496.db2.gz TZUUTZFMKDVVJH-YXJHDRRASA-N 2 0 341.459 1.897 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915947 447772331 /nfs/dbraw/zinc/77/23/31/447772331.db2.gz ZLJMRAHZTFIOHA-HUUCEWRRSA-N 2 0 339.505 1.696 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)CCc2ccccc2)CC[NH2+]CC1 ZINC000423027866 447793611 /nfs/dbraw/zinc/79/36/11/447793611.db2.gz FFGJZYTVQYTBKF-WMZOPIPTSA-N 2 0 348.487 1.891 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)[C@@H](O)C(F)(F)F)CC[NH2+]CC1 ZINC000423028225 447793779 /nfs/dbraw/zinc/79/37/79/447793779.db2.gz SIOXKSHIYVAMIZ-SDDRHHMPSA-N 2 0 340.386 1.599 20 0 EDADRP CC[C@@H]1CN(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423087059 447802433 /nfs/dbraw/zinc/80/24/33/447802433.db2.gz NEVDFYZAQVVYDS-IMFGXOCKSA-N 2 0 345.487 1.943 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C[C@@H](C)O1 ZINC000469699486 447803132 /nfs/dbraw/zinc/80/31/32/447803132.db2.gz GEUOSYFTESVHFO-HZMVEIRTSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423099807 447804337 /nfs/dbraw/zinc/80/43/37/447804337.db2.gz BAHKPLXHUHTOJZ-NWDGAFQWSA-N 2 0 333.885 1.642 20 0 EDADRP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000423113948 447807685 /nfs/dbraw/zinc/80/76/85/447807685.db2.gz VALLVYCLUMXYHP-OOHRUWKFSA-N 3 0 336.524 1.580 20 0 EDADRP C[C@H](O)C[NH2+]C1CCC([NH+]2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000496615937 447833575 /nfs/dbraw/zinc/83/35/75/447833575.db2.gz GQYWENHGQMYEOL-FHERZECASA-N 2 0 341.496 1.821 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487940368 447838330 /nfs/dbraw/zinc/83/83/30/447838330.db2.gz CXFNEURSDOPODL-NBOOPKSLSA-N 2 0 347.507 1.459 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCN2CCO[C@@H](CC)C2)C1 ZINC000488393476 447846733 /nfs/dbraw/zinc/84/67/33/447846733.db2.gz RSRJRDZPNMSGAK-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1ccc2c(c1)CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)O2 ZINC000530381028 447874525 /nfs/dbraw/zinc/87/45/25/447874525.db2.gz HHMAAVKFLYANMA-SFHVURJKSA-N 2 0 333.476 1.640 20 0 EDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000569707728 447873456 /nfs/dbraw/zinc/87/34/56/447873456.db2.gz KIMQPSUBHCGPAU-XJKSGUPXSA-N 2 0 332.448 1.399 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000490270106 447891127 /nfs/dbraw/zinc/89/11/27/447891127.db2.gz IXALRHLXBPDCLZ-BRWVUGGUSA-N 2 0 340.512 1.347 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000569843156 447905147 /nfs/dbraw/zinc/90/51/47/447905147.db2.gz MOMPFBTXWZZAPM-WMZOPIPTSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000570077121 447943793 /nfs/dbraw/zinc/94/37/93/447943793.db2.gz CGUIPNDIYCQLHZ-LLVKDONJSA-N 2 0 331.338 1.668 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1ccccc1 ZINC000576029823 447953850 /nfs/dbraw/zinc/95/38/50/447953850.db2.gz BRTJEZBHMAHLLY-ROUUACIJSA-N 2 0 331.460 1.983 20 0 EDADRP CN(C[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000496847338 447964593 /nfs/dbraw/zinc/96/45/93/447964593.db2.gz OFUIBIOVSTXRNQ-HUUCEWRRSA-N 2 0 329.485 1.536 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000524786082 447954608 /nfs/dbraw/zinc/95/46/08/447954608.db2.gz CXWUSZMNULUTPB-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP Cn1ccc(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000570161599 447956641 /nfs/dbraw/zinc/95/66/41/447956641.db2.gz SDWUAUZKMODRQT-UHFFFAOYSA-N 2 0 341.459 1.072 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524394791 447928254 /nfs/dbraw/zinc/92/82/54/447928254.db2.gz HXRFQUHMXYPGRX-FQEVSTJZSA-N 2 0 345.487 1.424 20 0 EDADRP CC(C)c1nnc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000530641862 447932623 /nfs/dbraw/zinc/93/26/23/447932623.db2.gz VWNQBURMTLSZRI-UHFFFAOYSA-N 2 0 325.457 1.077 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCN2CCCO)C1 ZINC000497186898 447937446 /nfs/dbraw/zinc/93/74/46/447937446.db2.gz MCENTRHQUDXKNA-CABCVRRESA-N 2 0 327.469 1.432 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000525300360 447991047 /nfs/dbraw/zinc/99/10/47/447991047.db2.gz XLPKNYFOXODHOL-ZACQAIPSSA-N 2 0 339.528 1.042 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000525451153 447999782 /nfs/dbraw/zinc/99/97/82/447999782.db2.gz ORIPSMMWQKFPQV-UHFFFAOYSA-N 3 0 341.544 1.243 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000570224466 447968466 /nfs/dbraw/zinc/96/84/66/447968466.db2.gz VDADWEAXMGYCJU-MAUKXSAKSA-N 2 0 345.491 1.534 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000570502647 448027718 /nfs/dbraw/zinc/02/77/18/448027718.db2.gz IBZOJDGNKLDGNH-FUHWJXTLSA-N 2 0 346.475 1.392 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000531286267 448053186 /nfs/dbraw/zinc/05/31/86/448053186.db2.gz SWZLRELACWUINA-MJGOQNOKSA-N 2 0 331.460 1.080 20 0 EDADRP CC(C)C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294583 448056470 /nfs/dbraw/zinc/05/64/70/448056470.db2.gz OWZLYRHRHMQGAL-ICSRJNTNSA-N 2 0 347.503 1.716 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)cc1Cl ZINC000531357905 448069241 /nfs/dbraw/zinc/06/92/41/448069241.db2.gz NTVZKMZLBXFQJR-UHFFFAOYSA-N 2 0 345.846 1.810 20 0 EDADRP COCCc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525971516 448068696 /nfs/dbraw/zinc/06/86/96/448068696.db2.gz DPIQJHQISZFFDE-UHFFFAOYSA-N 2 0 336.480 1.833 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)[C@H](C)C1 ZINC000497013522 448122832 /nfs/dbraw/zinc/12/28/32/448122832.db2.gz GKTFVKBRXZPUTN-OAGGEKHMSA-N 2 0 341.496 1.942 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000571277452 448124531 /nfs/dbraw/zinc/12/45/31/448124531.db2.gz IUYCXVPDBNUJDC-HKUYNNGSSA-N 2 0 348.487 1.825 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000576807723 448143696 /nfs/dbraw/zinc/14/36/96/448143696.db2.gz YOUKVEFHYIHFBH-QGZVFWFLSA-N 2 0 333.480 1.850 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000571420077 448152761 /nfs/dbraw/zinc/15/27/61/448152761.db2.gz VVNVPXCQMWOSGR-NXHRZFHOSA-N 2 0 346.475 1.279 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@H]1CCC[NH+]1C1CC1 ZINC000556933255 448172984 /nfs/dbraw/zinc/17/29/84/448172984.db2.gz GWECCOJQVIDAFJ-GOSISDBHSA-N 2 0 330.476 1.989 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2)N1CC[NH+](C)CC1 ZINC000531959697 448175146 /nfs/dbraw/zinc/17/51/46/448175146.db2.gz DNRLUJHKMJPLRI-HUUCEWRRSA-N 2 0 330.476 1.858 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000571522996 448165618 /nfs/dbraw/zinc/16/56/18/448165618.db2.gz SHIIDDIVXVHKGJ-DAWZGUTISA-N 2 0 336.524 1.582 20 0 EDADRP Cn1cc([C@@H]2OCC[C@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000514598064 448168711 /nfs/dbraw/zinc/16/87/11/448168711.db2.gz CPNRJVHOUSGJCU-MSOLQXFVSA-N 2 0 327.432 1.904 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000571921438 448237217 /nfs/dbraw/zinc/23/72/17/448237217.db2.gz SFMDVOIZXZRHEU-AEFFLSMTSA-N 2 0 342.447 1.033 20 0 EDADRP CN1CCN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)[C@@H](C[NH3+])C1 ZINC000582476013 448247576 /nfs/dbraw/zinc/24/75/76/448247576.db2.gz FPINBSRGTDIWFL-KRWDZBQOSA-N 2 0 337.512 1.068 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000515140106 448264933 /nfs/dbraw/zinc/26/49/33/448264933.db2.gz IJZXPKZKBHICDP-CQSZACIVSA-N 2 0 346.475 1.507 20 0 EDADRP c1cnc(N2CCC([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)cn1 ZINC000532504310 448266402 /nfs/dbraw/zinc/26/64/02/448266402.db2.gz YLLPZHOYGRUFBV-MRXNPFEDSA-N 2 0 345.491 1.536 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCN2C)C1 ZINC000577485531 448309924 /nfs/dbraw/zinc/30/99/24/448309924.db2.gz JEYHEBZJKGENDQ-CVEARBPZSA-N 2 0 339.528 1.090 20 0 EDADRP C[C@@H]1CN(c2cc(N3C[C@@H](C)[C@](C)(C[NH3+])C3)ncn2)C[C@@]1(C)C[NH3+] ZINC000515432874 448313461 /nfs/dbraw/zinc/31/34/61/448313461.db2.gz LZCJFMBSURCRAT-DTTOXWODSA-N 2 0 332.496 1.319 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515851827 448358553 /nfs/dbraw/zinc/35/85/53/448358553.db2.gz INLBMMAXRJYJMK-ARFHVFGLSA-N 2 0 333.480 1.685 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCCN2C(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000591571625 448393073 /nfs/dbraw/zinc/39/30/73/448393073.db2.gz SBBCCYRESWKFDD-TWMKSMIVSA-N 2 0 338.496 1.364 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])CC(C)C ZINC000577831082 448394905 /nfs/dbraw/zinc/39/49/05/448394905.db2.gz YQHMTBMRLYWYCW-HZPDHXFCSA-N 2 0 327.517 1.027 20 0 EDADRP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C[N@@H+]2CCC(C)(C)C2)cc1 ZINC000582973728 448395858 /nfs/dbraw/zinc/39/58/58/448395858.db2.gz HVULXAQBFSETSL-MRXNPFEDSA-N 2 0 349.475 1.658 20 0 EDADRP CC[N@H+](CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000533547762 448414441 /nfs/dbraw/zinc/41/44/41/448414441.db2.gz TZIYMCFHCXUSJM-IBGZPJMESA-N 2 0 344.503 1.576 20 0 EDADRP COCCN1CCC[C@@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000577741270 448374417 /nfs/dbraw/zinc/37/44/17/448374417.db2.gz CMQOBRSHGAAPRC-MRXNPFEDSA-N 2 0 341.402 1.994 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+][C@@H]2CCO[C@@]3(CCSC3)C2)C[C@H](C)O1 ZINC000577741739 448374970 /nfs/dbraw/zinc/37/49/70/448374970.db2.gz YZOIPJYQKXNFDP-JJTUDDRGSA-N 2 0 344.521 1.101 20 0 EDADRP C[C@@]1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCC[NH2+]1 ZINC000577955333 448425734 /nfs/dbraw/zinc/42/57/34/448425734.db2.gz OIHTUIKEXVERGS-INIZCTEOSA-N 2 0 325.522 1.996 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)c1 ZINC000516474889 448427026 /nfs/dbraw/zinc/42/70/26/448427026.db2.gz CQJXCFIRFQWVBG-UHFFFAOYSA-N 2 0 348.491 1.639 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000578049518 448448286 /nfs/dbraw/zinc/44/82/86/448448286.db2.gz IHWBGHBFNMKWOO-ZBFHGGJFSA-N 2 0 331.464 1.894 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000578068192 448453698 /nfs/dbraw/zinc/45/36/98/448453698.db2.gz SGOGTSUQPGXWHT-BQFCYCMXSA-N 2 0 335.492 1.478 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000516748712 448466923 /nfs/dbraw/zinc/46/69/23/448466923.db2.gz BELGSASTERJSAZ-WBVHZDCISA-N 2 0 332.448 1.575 20 0 EDADRP COc1cc2c(cc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000591714957 448467237 /nfs/dbraw/zinc/46/72/37/448467237.db2.gz SGTRMLPFWRQOGV-GJZGRUSLSA-N 2 0 333.476 1.744 20 0 EDADRP COc1cc2c(cc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000591714959 448467653 /nfs/dbraw/zinc/46/76/53/448467653.db2.gz SGTRMLPFWRQOGV-LSDHHAIUSA-N 2 0 333.476 1.744 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCCc3ncc[nH]3)CC2)CC1 ZINC000566437045 448469628 /nfs/dbraw/zinc/46/96/28/448469628.db2.gz KHDYFRUVVVXHOV-UHFFFAOYSA-N 2 0 333.480 1.265 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCc2cnc(C)nc2N)CC1 ZINC000572844303 448478311 /nfs/dbraw/zinc/47/83/11/448478311.db2.gz BPCYBJWVZMOOBB-UHFFFAOYSA-N 2 0 340.431 1.603 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]([NH+]4CCCC4)C3)n2)CC1 ZINC000535760995 448504037 /nfs/dbraw/zinc/50/40/37/448504037.db2.gz PMAYROPKEHOFAB-INIZCTEOSA-N 2 0 343.475 1.144 20 0 EDADRP O=C(CN1CCC[C@@H](n2ccnc2)C1)Nc1ccc2c(c1)OCCO2 ZINC000591868373 448512865 /nfs/dbraw/zinc/51/28/65/448512865.db2.gz YIHMDKZUNJZKCS-OAHLLOKOSA-N 2 0 342.399 1.930 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000578326740 448518378 /nfs/dbraw/zinc/51/83/78/448518378.db2.gz DBSCYKXSNZPCFY-OAHLLOKOSA-N 2 0 346.475 1.839 20 0 EDADRP CN1CCN(C)[C@@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000517025518 448526148 /nfs/dbraw/zinc/52/61/48/448526148.db2.gz WAWIZQCVWKANOH-JKSUJKDBSA-N 2 0 345.409 1.444 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C[C@@H](C)O1 ZINC000566673461 448534592 /nfs/dbraw/zinc/53/45/92/448534592.db2.gz NIAXYRNYEKIFQQ-QBPKDAKJSA-N 2 0 329.529 1.413 20 0 EDADRP CSC1(CNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)CC[NH+](C)CC1 ZINC000578425969 448541661 /nfs/dbraw/zinc/54/16/61/448541661.db2.gz AGORYEQSPHSWFL-MRXNPFEDSA-N 2 0 340.537 1.599 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(CC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000566733716 448546844 /nfs/dbraw/zinc/54/68/44/448546844.db2.gz HCZQLEVQISAXJH-QKLQHJQFSA-N 3 0 349.519 1.350 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000567049753 448605542 /nfs/dbraw/zinc/60/55/42/448605542.db2.gz OOSZOJWYOZJZBY-LZLYRXPVSA-N 2 0 347.507 1.794 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000566919795 448587069 /nfs/dbraw/zinc/58/70/69/448587069.db2.gz VUZDNSPQYNTTCA-GOSISDBHSA-N 2 0 344.503 1.690 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000518032340 448639926 /nfs/dbraw/zinc/63/99/26/448639926.db2.gz UZWXLGDOECLMAT-ROUUACIJSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC000540907942 448653689 /nfs/dbraw/zinc/65/36/89/448653689.db2.gz MRZSCSJQHPNEGS-JFIYKMOQSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000573600810 448669090 /nfs/dbraw/zinc/66/90/90/448669090.db2.gz CIXZBSGITDUHRS-SFHVURJKSA-N 2 0 346.519 1.856 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCSc3c(F)cccc32)CC1 ZINC000567354174 448674078 /nfs/dbraw/zinc/67/40/78/448674078.db2.gz DKRNGTWNKREIQO-CZUORRHYSA-N 2 0 339.480 1.561 20 0 EDADRP COc1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)ccn1 ZINC000573458666 448633774 /nfs/dbraw/zinc/63/37/74/448633774.db2.gz CBCALCWZNDKKSB-INIZCTEOSA-N 2 0 348.491 1.537 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000518561256 448692307 /nfs/dbraw/zinc/69/23/07/448692307.db2.gz JNERFCLXNOUPEY-FQEVSTJZSA-N 2 0 345.487 1.472 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567500699 448704823 /nfs/dbraw/zinc/70/48/23/448704823.db2.gz FDEFWSUGDALQCD-ROUUACIJSA-N 2 0 330.476 1.894 20 0 EDADRP CC[NH+]1C[C@@H](C)N(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)[C@H](C)C1 ZINC000518794398 448711472 /nfs/dbraw/zinc/71/14/72/448711472.db2.gz CMCFEJGJAVZUHB-HZPDHXFCSA-N 2 0 345.491 1.388 20 0 EDADRP CC[C@H]1CN(CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000518794687 448712173 /nfs/dbraw/zinc/71/21/73/448712173.db2.gz MGPXEESDHGIHMY-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091863 448676437 /nfs/dbraw/zinc/67/64/37/448676437.db2.gz KNUIINKOQVKVSU-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000578966535 448680524 /nfs/dbraw/zinc/68/05/24/448680524.db2.gz IXJVMQKFSDRTGZ-UHFFFAOYSA-N 2 0 346.475 1.461 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000567683844 448736939 /nfs/dbraw/zinc/73/69/39/448736939.db2.gz YUSSJXJIVMHJCE-SFHVURJKSA-N 2 0 335.492 1.350 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000579225340 448744007 /nfs/dbraw/zinc/74/40/07/448744007.db2.gz ACINGVTWOKPNPR-ASHKBJFXSA-N 2 0 339.386 1.412 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000573916988 448746658 /nfs/dbraw/zinc/74/66/58/448746658.db2.gz IHUOCMVSZRSEKE-KFWWJZLASA-N 2 0 334.468 1.023 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529285836 448807451 /nfs/dbraw/zinc/80/74/51/448807451.db2.gz PWRKCEQSUBSDGH-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1COCC[NH2+]1 ZINC000529293570 448810653 /nfs/dbraw/zinc/81/06/53/448810653.db2.gz YVJOTJSNLBVUJM-KRWDZBQOSA-N 2 0 332.448 1.070 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000519476796 448773157 /nfs/dbraw/zinc/77/31/57/448773157.db2.gz MYTJYEMLIHYRJI-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567911837 448781761 /nfs/dbraw/zinc/78/17/61/448781761.db2.gz DCLUWNXCPBQJEF-LJQANCHMSA-N 2 0 344.503 1.214 20 0 EDADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000529320757 448822371 /nfs/dbraw/zinc/82/23/71/448822371.db2.gz LETKTEZKICLNJM-AQFXKWCLSA-N 2 0 338.496 1.317 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000529373709 448845700 /nfs/dbraw/zinc/84/57/00/448845700.db2.gz CEJZJDHDGBWGGR-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2COCC[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000529373227 448846414 /nfs/dbraw/zinc/84/64/14/448846414.db2.gz AIUDVRKYRUQRQW-RYRKJORJSA-N 2 0 346.475 1.279 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000568458517 448872465 /nfs/dbraw/zinc/87/24/65/448872465.db2.gz JBENENXEPDWKJU-USXIJHARSA-N 2 0 340.512 1.392 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000579715257 448861080 /nfs/dbraw/zinc/86/10/80/448861080.db2.gz VKOQVDLKKZBMJU-PKOBYXMFSA-N 2 0 345.487 1.833 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)Nc1cccc2c1CC[NH2+]C2 ZINC000568729041 448909155 /nfs/dbraw/zinc/90/91/55/448909155.db2.gz SFYMGODXDRHFND-OAHLLOKOSA-N 2 0 332.448 1.301 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000574641776 448923830 /nfs/dbraw/zinc/92/38/30/448923830.db2.gz ZREICYPNNVPYSY-HYVNUMGLSA-N 2 0 333.480 1.752 20 0 EDADRP Cc1[nH]nc2ncc(C[NH+]3CCC([C@@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000520369383 448888539 /nfs/dbraw/zinc/88/85/39/448888539.db2.gz VDRAQMLYJIXZRW-SJORKVTESA-N 2 0 329.448 1.985 20 0 EDADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000574528824 448895799 /nfs/dbraw/zinc/89/57/99/448895799.db2.gz OJWDQKTYVBLFET-PMPSAXMXSA-N 2 0 344.496 1.225 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000569202889 448978297 /nfs/dbraw/zinc/97/82/97/448978297.db2.gz WDUHPRCCRQGARJ-PBHICJAKSA-N 2 0 331.464 1.343 20 0 EDADRP O=C1C[C@H](N2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C(=O)N1 ZINC000574887094 448980521 /nfs/dbraw/zinc/98/05/21/448980521.db2.gz LSEANRNQTFXSDN-QFBILLFUSA-N 2 0 327.428 1.390 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000568972536 448945172 /nfs/dbraw/zinc/94/51/72/448945172.db2.gz AQPHXJHSOZJLRK-HNNXBMFYSA-N 2 0 345.491 1.480 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CCn3ccnc3C2)CC[N@@H+](C2CCC2)C1 ZINC000582038665 448994127 /nfs/dbraw/zinc/99/41/27/448994127.db2.gz CMGBHIZCHDBCHI-HUUCEWRRSA-N 2 0 331.464 1.714 20 0 EDADRP C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[NH+]1CCC(C)CC1 ZINC000592958678 449082021 /nfs/dbraw/zinc/08/20/21/449082021.db2.gz ZWTVOIPCQUDDCC-LSDHHAIUSA-N 2 0 333.480 1.569 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000600148975 449215260 /nfs/dbraw/zinc/21/52/60/449215260.db2.gz PRLOJACPMRTAKM-OAHLLOKOSA-N 2 0 334.464 1.374 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604182369 449186097 /nfs/dbraw/zinc/18/60/97/449186097.db2.gz DDJFPXCLMJAWCO-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP CCOC(=O)C1([C@H](C)[N@@H+]2CCN(C)[C@@H](C(C)C)C2)CC[NH2+]CC1 ZINC000602019115 449277859 /nfs/dbraw/zinc/27/78/59/449277859.db2.gz BCIQZTFELWXPJZ-JKSUJKDBSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)ccn1 ZINC000617009572 449429153 /nfs/dbraw/zinc/42/91/53/449429153.db2.gz AWTVHVVJKDJZDI-OAHLLOKOSA-N 2 0 334.464 1.625 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000600709012 449508620 /nfs/dbraw/zinc/50/86/20/449508620.db2.gz NGFMHDPNLCHKJN-CYBMUJFWSA-N 2 0 349.431 1.288 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000600711168 449509435 /nfs/dbraw/zinc/50/94/35/449509435.db2.gz RMRZCYDDOIUVOR-YCPHGPKFSA-N 2 0 339.480 1.297 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCC12CCC[NH+]1CCC2 ZINC000614226642 449514489 /nfs/dbraw/zinc/51/44/89/449514489.db2.gz HMLOERVIXXBKIC-UHFFFAOYSA-N 2 0 335.492 1.766 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@H]23)CC[NH2+]CC1 ZINC000594587182 449585521 /nfs/dbraw/zinc/58/55/21/449585521.db2.gz QKCVCJDNSFIZPF-GVDBMIGSSA-N 2 0 337.508 1.914 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481625 449625005 /nfs/dbraw/zinc/62/50/05/449625005.db2.gz HCYQPGHFYKDFBQ-OALUTQOASA-N 2 0 339.524 1.528 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000602573607 449682005 /nfs/dbraw/zinc/68/20/05/449682005.db2.gz SQDNBSGZKBGBFW-CQSZACIVSA-N 2 0 329.510 1.170 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602515609 449643158 /nfs/dbraw/zinc/64/31/58/449643158.db2.gz QUPRVCQUMVECAP-ZDUSSCGKSA-N 2 0 325.478 1.650 20 0 EDADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)cc2)n1 ZINC000594874976 449789454 /nfs/dbraw/zinc/78/94/54/449789454.db2.gz CZLHJVTXAPDABQ-ZWKOTPCHSA-N 2 0 339.443 1.233 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC1CC[NH+](CCO)CC1)c1cccs1 ZINC000601205286 449749488 /nfs/dbraw/zinc/74/94/88/449749488.db2.gz CTCVZIBLSROJFU-AWEZNQCLSA-N 2 0 340.493 1.107 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786660 449807357 /nfs/dbraw/zinc/80/73/57/449807357.db2.gz SKIZDRLTOZFUGF-ZWKOTPCHSA-N 2 0 334.508 1.240 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878096 449886809 /nfs/dbraw/zinc/88/68/09/449886809.db2.gz UTOBRBLVQZGXDD-HNNXBMFYSA-N 2 0 339.480 1.108 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000612862938 449915750 /nfs/dbraw/zinc/91/57/50/449915750.db2.gz RQCCCDVXFUEKGF-PKOBYXMFSA-N 2 0 346.475 1.883 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616784571 450484268 /nfs/dbraw/zinc/48/42/68/450484268.db2.gz XXWKBVIDGFMJNJ-IYBDPMFKSA-N 2 0 340.512 1.210 20 0 EDADRP Cc1cc(C[NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)ccn1 ZINC000623471808 450527014 /nfs/dbraw/zinc/52/70/14/450527014.db2.gz UJOWIECGJDRAKM-IBGZPJMESA-N 2 0 340.471 1.769 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153674 450601899 /nfs/dbraw/zinc/60/18/99/450601899.db2.gz XFEXWDQOYPJPDD-PKOBYXMFSA-N 2 0 331.460 1.080 20 0 EDADRP COC[C@@]1(C)C[NH+](CCCC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176565 450611223 /nfs/dbraw/zinc/61/12/23/450611223.db2.gz RFQYPRNELIQALU-HDICACEKSA-N 2 0 344.496 1.241 20 0 EDADRP C[NH+](C)CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635068838 450621043 /nfs/dbraw/zinc/62/10/43/450621043.db2.gz MBNYXVOYIHMRKH-AZUAARDMSA-N 2 0 345.487 1.593 20 0 EDADRP c1cnc2c(ccnc2NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000621259513 450638201 /nfs/dbraw/zinc/63/82/01/450638201.db2.gz YBSGSZILWXEHGF-UHFFFAOYSA-N 2 0 349.442 2.044 20 0 EDADRP C[C@H]([NH2+][C@@H](CO)c1ccnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000624017799 450670944 /nfs/dbraw/zinc/67/09/44/450670944.db2.gz FJNYEQVBKQGPCJ-YOEHRIQHSA-N 2 0 332.448 1.745 20 0 EDADRP c1cc(CN2CCO[C@@H](C[NH2+]C3CC[NH+](CC4CC4)CC3)C2)ccn1 ZINC000624266993 450772029 /nfs/dbraw/zinc/77/20/29/450772029.db2.gz ZWAWURGFIRWEQR-FQEVSTJZSA-N 2 0 344.503 1.746 20 0 EDADRP CCc1cc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)ncn1 ZINC000629563867 450737804 /nfs/dbraw/zinc/73/78/04/450737804.db2.gz RUYHEUOHXFJOGK-IAGOWNOFSA-N 2 0 333.480 1.054 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1NS(=O)(=O)C1CC1)C1CC[NH+](C)CC1 ZINC000631744087 450746518 /nfs/dbraw/zinc/74/65/18/450746518.db2.gz LUYDYKQGQVMVMS-KBRIMQKVSA-N 2 0 343.537 1.699 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621655601 450817589 /nfs/dbraw/zinc/81/75/89/450817589.db2.gz SUUYQOIELDSDEH-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)N(C)C2CC[NH2+]CC2)C1 ZINC000631915368 450874653 /nfs/dbraw/zinc/87/46/53/450874653.db2.gz JWHVPEMCPPTWJX-AWEZNQCLSA-N 2 0 346.541 1.015 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(O)cc(C(F)(F)F)c1 ZINC000621884818 450919259 /nfs/dbraw/zinc/91/92/59/450919259.db2.gz ZJWPVMLJSVEKPY-UHFFFAOYSA-N 2 0 347.381 1.976 20 0 EDADRP C[N@H+](CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CCC1 ZINC000629969745 450924702 /nfs/dbraw/zinc/92/47/02/450924702.db2.gz KWOZEQMKADBCBS-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C[C@@H]3CC[N@H+](C)C3)ccc2oc1=O ZINC000635452175 450951759 /nfs/dbraw/zinc/95/17/59/450951759.db2.gz VGEMUZIQRDDYBN-ZDUSSCGKSA-N 2 0 346.431 1.436 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000626855843 450961881 /nfs/dbraw/zinc/96/18/81/450961881.db2.gz HAYIRKUNHQYTEC-OAHLLOKOSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cn1 ZINC000632012685 450967380 /nfs/dbraw/zinc/96/73/80/450967380.db2.gz WDKYYMWWAIHIBN-QAPCUYQASA-N 2 0 345.491 1.534 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1cccc(F)c1 ZINC000626922453 451006442 /nfs/dbraw/zinc/00/64/42/451006442.db2.gz XLLUSZHHEQKEIF-OAHLLOKOSA-N 2 0 338.427 1.236 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000626927100 451011142 /nfs/dbraw/zinc/01/11/42/451011142.db2.gz JFHQTHABIZISMO-UHFFFAOYSA-N 2 0 348.491 1.789 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000626934950 451017305 /nfs/dbraw/zinc/01/73/05/451017305.db2.gz SCLDEYOVDSCSBB-BGYRXZFFSA-N 2 0 342.487 1.686 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)c1 ZINC000635527939 451024689 /nfs/dbraw/zinc/02/46/89/451024689.db2.gz NMHCUASOJQFYLQ-HFTRVMKXSA-N 2 0 346.475 1.963 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000626954855 451032510 /nfs/dbraw/zinc/03/25/10/451032510.db2.gz LPRUVBRMFUSHLF-SFHVURJKSA-N 2 0 348.491 1.706 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)CC1 ZINC000635543655 451040139 /nfs/dbraw/zinc/04/01/39/451040139.db2.gz UYURKJOXMWILTJ-UHFFFAOYSA-N 2 0 348.535 1.348 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626991687 451057583 /nfs/dbraw/zinc/05/75/83/451057583.db2.gz JYNAREYKGIKFDQ-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011480 451075710 /nfs/dbraw/zinc/07/57/10/451075710.db2.gz BJQGFPSOXLFYMG-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000627015839 451080406 /nfs/dbraw/zinc/08/04/06/451080406.db2.gz AIKFUSRRRUQKOG-IBGZPJMESA-N 2 0 348.491 1.576 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000626980076 451048163 /nfs/dbraw/zinc/04/81/63/451048163.db2.gz OZJKQPDZZJHUIG-MRXNPFEDSA-N 2 0 348.491 1.747 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635635743 451123766 /nfs/dbraw/zinc/12/37/66/451123766.db2.gz PDMWQTNTHWYJSP-QGZVFWFLSA-N 2 0 337.508 1.535 20 0 EDADRP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627130252 451140994 /nfs/dbraw/zinc/14/09/94/451140994.db2.gz OTRXNAQAWLMCIP-SJORKVTESA-N 2 0 349.523 1.081 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000627177400 451167795 /nfs/dbraw/zinc/16/77/95/451167795.db2.gz HHCXASMDYOEEAF-QGZVFWFLSA-N 2 0 340.512 1.520 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627195579 451180452 /nfs/dbraw/zinc/18/04/52/451180452.db2.gz CGVYFGNHDAJVSA-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627202820 451184684 /nfs/dbraw/zinc/18/46/84/451184684.db2.gz KFPADHSLTQITDU-KBPBESRZSA-N 2 0 333.436 1.062 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNS(=O)(=O)CCC[NH+](C)C)c1ccco1 ZINC000632328467 451200547 /nfs/dbraw/zinc/20/05/47/451200547.db2.gz BMIDNFMDSLPFKO-KGLIPLIRSA-N 2 0 331.482 1.580 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627238085 451203594 /nfs/dbraw/zinc/20/35/94/451203594.db2.gz AGWBWNVEIYJIGO-CGTJXYLNSA-N 2 0 345.491 1.828 20 0 EDADRP C[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734540 451205632 /nfs/dbraw/zinc/20/56/32/451205632.db2.gz ONBYVTLZTCTBHU-NXHRZFHOSA-N 2 0 338.540 1.732 20 0 EDADRP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370072 451231184 /nfs/dbraw/zinc/23/11/84/451231184.db2.gz VFRGFCRTWBMEAR-HOTGVXAUSA-N 2 0 347.507 1.828 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)N2CCC(OCCC[NH+](C)C)CC2)C[NH2+]1 ZINC000627200531 451184032 /nfs/dbraw/zinc/18/40/32/451184032.db2.gz SDTPDWCXXYQBIR-LSDHHAIUSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)CC(C)(C)C ZINC000635786183 451238795 /nfs/dbraw/zinc/23/87/95/451238795.db2.gz PHZPJENYDIQSCR-SFHVURJKSA-N 2 0 347.503 1.847 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000635800241 451249960 /nfs/dbraw/zinc/24/99/60/451249960.db2.gz RLAISWFEGWCKRW-ZIFCJYIRSA-N 2 0 348.535 1.678 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638099743 451265610 /nfs/dbraw/zinc/26/56/10/451265610.db2.gz DYHMCHLTZHIXNA-CGTJXYLNSA-N 2 0 333.476 1.910 20 0 EDADRP Cc1noc([C@@H]2OCC[C@@H]2[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000628490922 451266679 /nfs/dbraw/zinc/26/66/79/451266679.db2.gz JYKOSRIFCWUZRE-JKSUJKDBSA-N 2 0 329.404 1.862 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638104352 451271953 /nfs/dbraw/zinc/27/19/53/451271953.db2.gz YJMRGHSRPWWURQ-IEBWSBKVSA-N 2 0 349.475 1.053 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114447 451283215 /nfs/dbraw/zinc/28/32/15/451283215.db2.gz JMEAHYFEXPNFPM-MLGOLLRUSA-N 2 0 343.468 1.635 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000638117561 451285197 /nfs/dbraw/zinc/28/51/97/451285197.db2.gz RTYLXUPNAJAIRH-UHFFFAOYSA-N 2 0 335.448 1.812 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C[N@@H+]1Cc1ccccc1 ZINC000638127905 451298733 /nfs/dbraw/zinc/29/87/33/451298733.db2.gz FPWJZJAZNCMAKW-CZUORRHYSA-N 2 0 325.416 1.328 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636563321 451305376 /nfs/dbraw/zinc/30/53/76/451305376.db2.gz RTMBFFWGGQLHRV-YESZJQIVSA-N 2 0 340.512 1.110 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000636563318 451306344 /nfs/dbraw/zinc/30/63/44/451306344.db2.gz RTMBFFWGGQLHRV-BRWVUGGUSA-N 2 0 340.512 1.110 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137389 451309937 /nfs/dbraw/zinc/30/99/37/451309937.db2.gz JSKUKARMWCNEEZ-OALUTQOASA-N 2 0 342.487 1.529 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638147981 451321404 /nfs/dbraw/zinc/32/14/04/451321404.db2.gz YZDLNCLZVYQYOO-AEFFLSMTSA-N 3 0 344.503 1.566 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638147987 451321563 /nfs/dbraw/zinc/32/15/63/451321563.db2.gz YZDLNCLZVYQYOO-SJLPKXTDSA-N 3 0 344.503 1.566 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC000638210720 451357359 /nfs/dbraw/zinc/35/73/59/451357359.db2.gz MCSIXKRRHOBZGD-OCCSQVGLSA-N 2 0 345.447 1.174 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638219278 451363249 /nfs/dbraw/zinc/36/32/49/451363249.db2.gz HNCSEUNFNQGOOO-LJQANCHMSA-N 2 0 344.503 1.567 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269514 451389418 /nfs/dbraw/zinc/38/94/18/451389418.db2.gz PUVWHQXHFANQGI-TZMCWYRMSA-N 2 0 345.447 1.161 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000630736550 451372317 /nfs/dbraw/zinc/37/23/17/451372317.db2.gz NIJNXDCVJOTGHD-QGZVFWFLSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638251655 451382050 /nfs/dbraw/zinc/38/20/50/451382050.db2.gz IOHNSNOZMPJXJL-IMFGXOCKSA-N 2 0 345.487 1.769 20 0 EDADRP C[NH+](C)CCN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638273207 451392642 /nfs/dbraw/zinc/39/26/42/451392642.db2.gz ZAJRRDPSZIKTLH-LJQANCHMSA-N 2 0 346.519 1.779 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638285581 451402625 /nfs/dbraw/zinc/40/26/25/451402625.db2.gz JGDXKZFBQLHVBK-IEBWSBKVSA-N 2 0 327.472 1.818 20 0 EDADRP c1cnn(C2CC([NH2+]CCN3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000638289707 451406633 /nfs/dbraw/zinc/40/66/33/451406633.db2.gz ARFDTRQPXMFJOR-UHFFFAOYSA-N 2 0 339.487 1.994 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000638292662 451409219 /nfs/dbraw/zinc/40/92/19/451409219.db2.gz XLYGFNWXUBYXFN-PKOBYXMFSA-N 2 0 337.508 1.868 20 0 EDADRP COC1CC[NH+](CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640565133 451409352 /nfs/dbraw/zinc/40/93/52/451409352.db2.gz YMVPMVIGLKIWBD-UHFFFAOYSA-N 2 0 335.452 1.376 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)CN3CC[NH2+]CC3)c2)CC1 ZINC000638303982 451418417 /nfs/dbraw/zinc/41/84/17/451418417.db2.gz XPZLHJSSFSTBCB-UHFFFAOYSA-N 2 0 344.503 1.805 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000638406221 451494122 /nfs/dbraw/zinc/49/41/22/451494122.db2.gz JAPMBHZJKAXQNI-MRXNPFEDSA-N 2 0 343.427 1.543 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)[C@]12CCCO2 ZINC000638361216 451460483 /nfs/dbraw/zinc/46/04/83/451460483.db2.gz ZMWGQBYUDONCCH-GUDVDZBRSA-N 2 0 339.524 1.720 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367939 451467394 /nfs/dbraw/zinc/46/73/94/451467394.db2.gz RKNWMTOZRJKRIW-GNBUJSLZSA-N 2 0 343.471 1.486 20 0 EDADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638371186 451469244 /nfs/dbraw/zinc/46/92/44/451469244.db2.gz QMCNWJLHTVWOTA-DOTOQJQBSA-N 2 0 345.491 1.370 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638380692 451475613 /nfs/dbraw/zinc/47/56/13/451475613.db2.gz ZHWBASXUVGKWJZ-UHFFFAOYSA-N 3 0 349.519 1.952 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000632640669 451480761 /nfs/dbraw/zinc/48/07/61/451480761.db2.gz YAZNGONKVPWSEG-UHFFFAOYSA-N 2 0 345.553 1.998 20 0 EDADRP O[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000634719370 451499747 /nfs/dbraw/zinc/49/97/47/451499747.db2.gz SNJCJCDNQJLEEH-WOJBJXKFSA-N 2 0 347.503 1.060 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000638416697 451502573 /nfs/dbraw/zinc/50/25/73/451502573.db2.gz CRPIEHAQBCSECR-ROUUACIJSA-N 2 0 341.411 1.995 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000638458485 451526545 /nfs/dbraw/zinc/52/65/45/451526545.db2.gz DOERNFQMGNELFC-WBVHZDCISA-N 2 0 336.524 1.582 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1 ZINC000631029852 451542146 /nfs/dbraw/zinc/54/21/46/451542146.db2.gz GXFXFSATGHAXND-HNNXBMFYSA-N 2 0 348.520 1.999 20 0 EDADRP COc1cccc2c1OC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000638519731 451555800 /nfs/dbraw/zinc/55/58/00/451555800.db2.gz ZBSZUJQVPMPHKB-INIZCTEOSA-N 2 0 334.460 1.824 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000638602522 451600540 /nfs/dbraw/zinc/60/05/40/451600540.db2.gz NCKIRJSUCTVMHA-LJQANCHMSA-N 2 0 331.460 1.574 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638611176 451605331 /nfs/dbraw/zinc/60/53/31/451605331.db2.gz GNIKUOAKOUHBQO-CEXWTWQISA-N 2 0 345.487 1.639 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000632952779 451666212 /nfs/dbraw/zinc/66/62/12/451666212.db2.gz JNBFHLIRARDCCF-LBPRGKRZSA-N 2 0 336.402 1.926 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)cc1 ZINC000634954128 451621405 /nfs/dbraw/zinc/62/14/05/451621405.db2.gz ULVNLRUPDGWZBU-MRXNPFEDSA-N 2 0 340.489 1.684 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)C1 ZINC000631169835 451621897 /nfs/dbraw/zinc/62/18/97/451621897.db2.gz VGYBVDJNBZIQJP-TXEJJXNPSA-N 2 0 331.869 1.417 20 0 EDADRP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nnn1C[C@H]1CCOC1 ZINC000631179604 451628737 /nfs/dbraw/zinc/62/87/37/451628737.db2.gz VSKRAGHOWLMWOG-QGZVFWFLSA-N 2 0 333.480 1.526 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000631195534 451636200 /nfs/dbraw/zinc/63/62/00/451636200.db2.gz HSVTVJHIYSGKIQ-WBVHZDCISA-N 2 0 330.476 1.887 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634994236 451640836 /nfs/dbraw/zinc/64/08/36/451640836.db2.gz WJUJFOMCTFZOPK-UHFFFAOYSA-N 2 0 344.503 1.501 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000632913156 451647219 /nfs/dbraw/zinc/64/72/19/451647219.db2.gz YDLDTZROYKGHQB-HZPDHXFCSA-N 2 0 345.491 1.805 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000631306810 451688899 /nfs/dbraw/zinc/68/88/99/451688899.db2.gz KFAFAWRUOSRSPV-ZWKOTPCHSA-N 2 0 330.476 1.893 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638853576 451710936 /nfs/dbraw/zinc/71/09/36/451710936.db2.gz NKZKZEDKSGLAIW-UHFFFAOYSA-N 2 0 328.407 1.361 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC(n3cccn3)C2)cc1 ZINC000638871852 451715368 /nfs/dbraw/zinc/71/53/68/451715368.db2.gz CQDHKFKMHUDQLP-UHFFFAOYSA-N 2 0 341.459 1.668 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCCC3CC[NH2+]CC3)cn2)CC1 ZINC000632961537 451670674 /nfs/dbraw/zinc/67/06/74/451670674.db2.gz SPYUMZSJTKBHAV-UHFFFAOYSA-N 2 0 334.468 1.661 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1[nH]ncc1C(F)(F)F ZINC000631268150 451670835 /nfs/dbraw/zinc/67/08/35/451670835.db2.gz QHKVWITYBKGFKN-UHFFFAOYSA-N 2 0 349.401 1.774 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638913635 451733933 /nfs/dbraw/zinc/73/39/33/451733933.db2.gz AHTMKDJTVVWLHB-WMZOPIPTSA-N 2 0 328.460 1.162 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637152507 451742359 /nfs/dbraw/zinc/74/23/59/451742359.db2.gz RBZGPDJIMNPGPS-AWEZNQCLSA-N 2 0 336.484 2.000 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCCCC1 ZINC000638984562 451746024 /nfs/dbraw/zinc/74/60/24/451746024.db2.gz MYPJAEVYUKKGLN-UHFFFAOYSA-N 3 0 331.464 1.729 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[C@H]1CCCOC1 ZINC000637262736 451773375 /nfs/dbraw/zinc/77/33/75/451773375.db2.gz BWIMSCJXHKTCMQ-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP CN(Cc1ccc(S(N)(=O)=O)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161909 451781798 /nfs/dbraw/zinc/78/17/98/451781798.db2.gz IWXPUTMPFXQANQ-PBWFPOADSA-N 2 0 341.452 1.530 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000639270662 451802515 /nfs/dbraw/zinc/80/25/15/451802515.db2.gz QQHVMKNOFOFSSB-LJQANCHMSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[C@H]1C[NH3+] ZINC000646770925 451830950 /nfs/dbraw/zinc/83/09/50/451830950.db2.gz FWSRQTSPBORJFC-NXHRZFHOSA-N 2 0 330.476 1.879 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807701 451853496 /nfs/dbraw/zinc/85/34/96/451853496.db2.gz PXITZKPNEFKRJG-MOPGFXCFSA-N 2 0 344.503 1.228 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000644562537 451863611 /nfs/dbraw/zinc/86/36/11/451863611.db2.gz YBDMDROGOUINEQ-INIZCTEOSA-N 2 0 339.455 1.181 20 0 EDADRP O=C1[C@@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCN1C1CCC1 ZINC000639506326 451912135 /nfs/dbraw/zinc/91/21/35/451912135.db2.gz AYQJSGXOIAVPQF-SFHVURJKSA-N 2 0 335.492 1.717 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522589 451922486 /nfs/dbraw/zinc/92/24/86/451922486.db2.gz GVUDZGNUMPKDQK-INIZCTEOSA-N 2 0 349.479 1.345 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000646928320 451944575 /nfs/dbraw/zinc/94/45/75/451944575.db2.gz XKUFHCQGBJHWHH-OALUTQOASA-N 2 0 342.487 1.210 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000644734463 451962048 /nfs/dbraw/zinc/96/20/48/451962048.db2.gz PYVYYJIFONXPAH-RCCFBDPRSA-N 2 0 330.476 1.041 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649292578 451967839 /nfs/dbraw/zinc/96/78/39/451967839.db2.gz QTOKYLWODGFXQA-ROUUACIJSA-N 2 0 333.476 1.292 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000649292949 451969699 /nfs/dbraw/zinc/96/96/99/451969699.db2.gz OJKATKWNYHVFDW-GOEBONIOSA-N 2 0 334.468 1.053 20 0 EDADRP CC(=O)N1CC[C@]([NH3+])(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000649295499 451970868 /nfs/dbraw/zinc/97/08/68/451970868.db2.gz QBQFMTAUKSNTBD-LJQANCHMSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000642909888 451986652 /nfs/dbraw/zinc/98/66/52/451986652.db2.gz WPBYPHPGWFHYHU-BFYDXBDKSA-N 2 0 348.491 1.332 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000649312353 451990024 /nfs/dbraw/zinc/99/00/24/451990024.db2.gz JGOUUWHWPZURQG-XDNAFOTISA-N 2 0 336.524 1.378 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637663463 452005681 /nfs/dbraw/zinc/00/56/81/452005681.db2.gz DJYNKCQEFWYCQM-AWEZNQCLSA-N 2 0 334.468 1.565 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649329707 452009297 /nfs/dbraw/zinc/00/92/97/452009297.db2.gz CPPXAGCQLRLCQH-NZSAHSFTSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000649332837 452014352 /nfs/dbraw/zinc/01/43/52/452014352.db2.gz LLELKKCTCCAKDA-DZGCQCFKSA-N 2 0 325.403 1.868 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000653566582 452018874 /nfs/dbraw/zinc/01/88/74/452018874.db2.gz ZMCXFSPCYHEUBU-RBUKOAKNSA-N 2 0 335.492 1.132 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2([NH3+])Cc3ccccc3C2)Cc2ccccc2C1 ZINC000649338967 452018947 /nfs/dbraw/zinc/01/89/47/452018947.db2.gz RZBNCFKVAUFMAN-UHFFFAOYSA-N 2 0 349.478 1.698 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649344609 452024186 /nfs/dbraw/zinc/02/41/86/452024186.db2.gz HDBWFPWFMHZHAN-SJLPKXTDSA-N 2 0 331.460 1.345 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649344428 452024232 /nfs/dbraw/zinc/02/42/32/452024232.db2.gz XNZZRYFSSGEZLF-KGLIPLIRSA-N 2 0 333.423 1.191 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649345414 452026378 /nfs/dbraw/zinc/02/63/78/452026378.db2.gz ZNPKJQKNNMBQKA-UYAOXDASSA-N 2 0 344.503 1.390 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000649350575 452034050 /nfs/dbraw/zinc/03/40/50/452034050.db2.gz PTFCEUYGMPSNRB-OTWHNJEPSA-N 2 0 344.503 1.466 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000643082766 452036057 /nfs/dbraw/zinc/03/60/57/452036057.db2.gz MVKUOGBFPYUWBG-ZWKOTPCHSA-N 2 0 331.460 1.521 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649351392 452036113 /nfs/dbraw/zinc/03/61/13/452036113.db2.gz UDJLPWMCXZQHLA-XLIONFOSSA-N 2 0 342.487 1.457 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000643080994 452036400 /nfs/dbraw/zinc/03/64/00/452036400.db2.gz XSPVALMLRMJKGA-PKOBYXMFSA-N 2 0 349.450 1.660 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)N3CCC[N@@H+](C)CC3)C2)cc1 ZINC000637723865 452047611 /nfs/dbraw/zinc/04/76/11/452047611.db2.gz SROZYSVPRDGGHW-GOSISDBHSA-N 2 0 330.476 1.916 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1)c1ccccc1 ZINC000637798478 452089198 /nfs/dbraw/zinc/08/91/98/452089198.db2.gz HPVJOZVVICYGKR-SCTDSRPQSA-N 2 0 333.476 1.953 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639758623 452095949 /nfs/dbraw/zinc/09/59/49/452095949.db2.gz WPOVVSBGUOIPTP-UHFFFAOYSA-N 2 0 345.487 1.867 20 0 EDADRP [NH3+]C1(CC(=O)NCC[C@H]2CC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000637832585 452107550 /nfs/dbraw/zinc/10/75/50/452107550.db2.gz JQWLHRJQWFFTND-QGZVFWFLSA-N 2 0 344.503 1.486 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637845510 452113450 /nfs/dbraw/zinc/11/34/50/452113450.db2.gz YLRIWERSKCSSBO-JCGIZDLHSA-N 2 0 333.476 1.943 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637851256 452114886 /nfs/dbraw/zinc/11/48/86/452114886.db2.gz ZXFQYYNGHQEMPM-KRWDZBQOSA-N 2 0 332.492 1.470 20 0 EDADRP CN(CCC[NH3+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637855619 452115997 /nfs/dbraw/zinc/11/59/97/452115997.db2.gz WNUXTDMPOSYVFW-IEBWSBKVSA-N 2 0 331.460 1.332 20 0 EDADRP CC1(C)C[NH2+]CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637858143 452118066 /nfs/dbraw/zinc/11/80/66/452118066.db2.gz YRXAFJHSXIHIEN-UHFFFAOYSA-N 2 0 344.503 1.580 20 0 EDADRP C[N@@H+]1CCC[C@H]1CC[NH+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776800 452121002 /nfs/dbraw/zinc/12/10/02/452121002.db2.gz RVVIUBWUXGLDSG-DLBZAZTESA-N 2 0 327.538 1.610 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000637880793 452132896 /nfs/dbraw/zinc/13/28/96/452132896.db2.gz BLMTWQGDIVCEJM-KRWDZBQOSA-N 2 0 333.476 1.946 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)CCCC2 ZINC000637906925 452157050 /nfs/dbraw/zinc/15/70/50/452157050.db2.gz ZANAKFPMMYCXSS-UHFFFAOYSA-N 2 0 332.492 1.843 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645164771 452189199 /nfs/dbraw/zinc/18/91/99/452189199.db2.gz TVMQBTDSRMEPQT-OAHLLOKOSA-N 2 0 344.507 1.544 20 0 EDADRP COc1cncc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000637982207 452226995 /nfs/dbraw/zinc/22/69/95/452226995.db2.gz SFGGDBHFQZKJRA-UHFFFAOYSA-N 2 0 334.464 1.288 20 0 EDADRP CO[C@]1(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)CCOC1 ZINC000637984701 452228624 /nfs/dbraw/zinc/22/86/24/452228624.db2.gz KQBXJILKBIXJRC-KURKYZTESA-N 2 0 325.497 1.282 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)nc1 ZINC000647486469 452231149 /nfs/dbraw/zinc/23/11/49/452231149.db2.gz VTDIKUACPMCMMV-OAHLLOKOSA-N 2 0 332.448 1.124 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657438776 452250313 /nfs/dbraw/zinc/25/03/13/452250313.db2.gz OVYPPPFIWDLMSD-FXAWDEMLSA-N 2 0 347.503 1.970 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000641779434 452250312 /nfs/dbraw/zinc/25/03/12/452250312.db2.gz HDOOVYVMZAMSJI-SJLPKXTDSA-N 2 0 328.460 1.753 20 0 EDADRP O=C(C[NH2+][C@H]1CCc2cc(Br)ccc21)N1CC[NH2+]CC1 ZINC000643500189 452269439 /nfs/dbraw/zinc/26/94/39/452269439.db2.gz LUHAKHLBKSWHAB-AWEZNQCLSA-N 2 0 338.249 1.458 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000659432826 452279933 /nfs/dbraw/zinc/27/99/33/452279933.db2.gz PZJKJOGDLPPLPK-QGZVFWFLSA-N 2 0 336.480 1.800 20 0 EDADRP C[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655487910 452283820 /nfs/dbraw/zinc/28/38/20/452283820.db2.gz PRXQGMJIPDOIFJ-AIANPOQGSA-N 2 0 349.479 1.035 20 0 EDADRP C[C@@]12COC[C@]1(C)C[NH+](CC(O)C[N@H+]1C[C@]3(C)COC[C@]3(C)C1)C2 ZINC000661491969 452292196 /nfs/dbraw/zinc/29/21/96/452292196.db2.gz VYVSNJCWHYZATL-QGFMHUBQSA-N 2 0 338.492 1.064 20 0 EDADRP C[C@H]([NH3+])CN[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000643528003 452294003 /nfs/dbraw/zinc/29/40/03/452294003.db2.gz XEUNYXOQCOJCBC-LRDDRELGSA-N 2 0 338.883 1.515 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1)Cc1ccccc1 ZINC000652119391 452314510 /nfs/dbraw/zinc/31/45/10/452314510.db2.gz AAMNMBGECUJINT-BJLQDIEVSA-N 2 0 344.503 1.930 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000638049334 452318627 /nfs/dbraw/zinc/31/86/27/452318627.db2.gz CVJRSEBFMXMOKB-YQVWRLOYSA-N 2 0 331.460 1.707 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000652125118 452322544 /nfs/dbraw/zinc/32/25/44/452322544.db2.gz CUXDEYATDOPELL-UHFFFAOYSA-N 2 0 345.491 1.735 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000641858119 452325708 /nfs/dbraw/zinc/32/57/08/452325708.db2.gz GAQJQKMZBCYTEC-WKILWMFISA-N 2 0 331.464 1.678 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000659472544 452330115 /nfs/dbraw/zinc/33/01/15/452330115.db2.gz NQZBWNJTRJREDQ-IAOVAPTHSA-N 2 0 349.454 1.688 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000647593948 452330873 /nfs/dbraw/zinc/33/08/73/452330873.db2.gz YZXMBMKYEWTYOI-MELADBBJSA-N 2 0 338.452 1.021 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000638052991 452331762 /nfs/dbraw/zinc/33/17/62/452331762.db2.gz DASCWPQSQHMLRJ-UHFFFAOYSA-N 2 0 327.432 1.707 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652141240 452336388 /nfs/dbraw/zinc/33/63/88/452336388.db2.gz JVJMJOALTGWFJB-QKPAOTATSA-N 2 0 326.485 1.255 20 0 EDADRP COc1cc2c(cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)OCO2 ZINC000657572642 452342920 /nfs/dbraw/zinc/34/29/20/452342920.db2.gz DUKRXGWLSTXCPI-AWEZNQCLSA-N 2 0 337.464 1.786 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659492768 452355720 /nfs/dbraw/zinc/35/57/20/452355720.db2.gz KFFINTJGTQGTSH-BBPFYFEFSA-N 2 0 328.460 1.701 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000638064386 452364325 /nfs/dbraw/zinc/36/43/25/452364325.db2.gz SXISYFZXBLBPIP-QUCCMNQESA-N 2 0 345.487 1.577 20 0 EDADRP C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070535 452376155 /nfs/dbraw/zinc/37/61/55/452376155.db2.gz YYOZPPSBTHOOQS-AOIWGVFYSA-N 2 0 346.519 1.825 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659518761 452382945 /nfs/dbraw/zinc/38/29/45/452382945.db2.gz ZWASAYDYVFNJRC-IAGOWNOFSA-N 2 0 338.496 1.447 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000659520344 452383074 /nfs/dbraw/zinc/38/30/74/452383074.db2.gz ZPSNPSLIBGJNQB-DAXOMENPSA-N 2 0 338.402 1.447 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)cn1 ZINC000638077123 452389140 /nfs/dbraw/zinc/38/91/40/452389140.db2.gz XGBROVKNHVVHJM-UHFFFAOYSA-N 2 0 331.464 1.664 20 0 EDADRP C[C@@]1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCC[NH2+]C1 ZINC000659527724 452391338 /nfs/dbraw/zinc/39/13/38/452391338.db2.gz AGVWKMMSINMCGH-ZHALLVOQSA-N 2 0 348.466 1.960 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@]2(C)C[NH2+]CCO2)cc1Cl ZINC000638079670 452394370 /nfs/dbraw/zinc/39/43/70/452394370.db2.gz GQSAKZSHSFNQOQ-INIZCTEOSA-N 2 0 341.839 1.597 20 0 EDADRP CCc1nc(C(C)C)ccc1CN(C)CC(=O)N1CCN(C)CC1 ZINC000640051711 452395123 /nfs/dbraw/zinc/39/51/23/452395123.db2.gz XAANAXFQZRWOLK-UHFFFAOYSA-N 2 0 332.492 1.973 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638079879 452395509 /nfs/dbraw/zinc/39/55/09/452395509.db2.gz WYXQAHLCUDOZLX-SFHVURJKSA-N 2 0 344.503 1.580 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659536123 452396657 /nfs/dbraw/zinc/39/66/57/452396657.db2.gz GEXJKIQETOTQJQ-MWDXBVQZSA-N 2 0 334.439 1.840 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659537599 452398459 /nfs/dbraw/zinc/39/84/59/452398459.db2.gz SWMDMRZYEVBFNZ-MAUKXSAKSA-N 2 0 345.491 1.591 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NCCC[NH2+]Cc2cccnc2)c(F)c1 ZINC000652204052 452401190 /nfs/dbraw/zinc/40/11/90/452401190.db2.gz DQEUANJLWPSWPM-UHFFFAOYSA-N 2 0 345.422 1.659 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567691 452424599 /nfs/dbraw/zinc/42/45/99/452424599.db2.gz YAJJCUIFGGGBHQ-GOSISDBHSA-N 2 0 345.491 1.687 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)nc2)CC1 ZINC000655604755 452425949 /nfs/dbraw/zinc/42/59/49/452425949.db2.gz AREPGHFUMRZJSE-MAUKXSAKSA-N 2 0 329.448 1.162 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581703 452436363 /nfs/dbraw/zinc/43/63/63/452436363.db2.gz SAISYZPFMAGENJ-AXAPSJFSSA-N 2 0 338.402 1.414 20 0 EDADRP CC1([NH3+])CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659588927 452445087 /nfs/dbraw/zinc/44/50/87/452445087.db2.gz KHPKJBMHSRBGLI-HZPDHXFCSA-N 2 0 334.439 1.794 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CCO1 ZINC000663715607 452451545 /nfs/dbraw/zinc/45/15/45/452451545.db2.gz JAMGRMKZRXVFDK-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP Cc1c(N2CC[C@H](C[NH+](C)C)C2)ncnc1N1CC[C@H](C[NH+](C)C)C1 ZINC000663786418 452516889 /nfs/dbraw/zinc/51/68/89/452516889.db2.gz AYEHSCHDBOZTAE-IAGOWNOFSA-N 2 0 346.523 1.561 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790439 452521566 /nfs/dbraw/zinc/52/15/66/452521566.db2.gz BMCWETOUWGAYLK-IRXDYDNUSA-N 2 0 341.544 1.290 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348474 452522117 /nfs/dbraw/zinc/52/21/17/452522117.db2.gz FKLFFIFYWPSTKN-FHWLQOOXSA-N 2 0 345.487 1.830 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790438 452522206 /nfs/dbraw/zinc/52/22/06/452522206.db2.gz BMCWETOUWGAYLK-IAGOWNOFSA-N 2 0 341.544 1.290 20 0 EDADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346755 452523606 /nfs/dbraw/zinc/52/36/06/452523606.db2.gz GWVKHGIXYIHOCB-ZNMIVQPWSA-N 2 0 325.478 1.437 20 0 EDADRP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647794268 452527160 /nfs/dbraw/zinc/52/71/60/452527160.db2.gz WLBGJOOCXOMDKF-MANSERQUSA-N 2 0 345.487 1.338 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+](C)C)cc1 ZINC000659674133 452541940 /nfs/dbraw/zinc/54/19/40/452541940.db2.gz KTFAWPOECCTXDW-INIZCTEOSA-N 2 0 348.491 1.164 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C[C@@H](C)O1 ZINC000655730889 452543251 /nfs/dbraw/zinc/54/32/51/452543251.db2.gz VOMVVWKSRAXIEJ-LMMKCTJWSA-N 2 0 339.524 1.719 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)NCC2([NH3+])CCCC2)([NH+](C)C)C1 ZINC000659681150 452554903 /nfs/dbraw/zinc/55/49/03/452554903.db2.gz XRGMDXDNGUFGQU-RDTXWAMCSA-N 2 0 338.496 1.001 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659688599 452566064 /nfs/dbraw/zinc/56/60/64/452566064.db2.gz CFNBKYOUQADIAK-HNNXBMFYSA-N 2 0 338.496 1.145 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)CCC(F)(F)F ZINC000655929005 452698492 /nfs/dbraw/zinc/69/84/92/452698492.db2.gz PLHRNDPJAFUTJC-MRVPVSSYSA-N 2 0 338.296 1.450 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663912042 452639705 /nfs/dbraw/zinc/63/97/05/452639705.db2.gz JUSMDVFVJISMLM-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000643785038 452640977 /nfs/dbraw/zinc/64/09/77/452640977.db2.gz IDLBXVVLNXPNSV-IDTSFGKNSA-N 2 0 325.815 1.935 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000666182874 452666719 /nfs/dbraw/zinc/66/67/19/452666719.db2.gz AMFKVHOIPQOYGG-UHFFFAOYSA-N 2 0 348.495 1.688 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000657992433 452666920 /nfs/dbraw/zinc/66/69/20/452666920.db2.gz JXBJRGSLQSESSP-SJLPKXTDSA-N 2 0 328.497 1.909 20 0 EDADRP CC(C)[C@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[NH2+]1 ZINC000647929097 452667207 /nfs/dbraw/zinc/66/72/07/452667207.db2.gz JRMNJLDBVZUNLG-QZTJIDSGSA-N 2 0 332.492 1.335 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655921763 452683645 /nfs/dbraw/zinc/68/36/45/452683645.db2.gz PNVSTLXWYFLSCO-NEPJUHHUSA-N 2 0 340.390 1.018 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658067390 452714536 /nfs/dbraw/zinc/71/45/36/452714536.db2.gz MZSGEXFTNSDWOW-CQSZACIVSA-N 2 0 332.510 1.290 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975673 452720373 /nfs/dbraw/zinc/72/03/73/452720373.db2.gz DMTWYGOKKLJCEP-BBWFWOEESA-N 2 0 325.497 1.629 20 0 EDADRP O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978590 452723371 /nfs/dbraw/zinc/72/33/71/452723371.db2.gz VFQSNEZHADQDSG-HZPDHXFCSA-N 2 0 329.448 1.208 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cccc(-n2cnnn2)c1 ZINC000658110609 452730265 /nfs/dbraw/zinc/73/02/65/452730265.db2.gz ZHAODKOHQRXLKH-JKSUJKDBSA-N 2 0 345.495 1.585 20 0 EDADRP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](CCN4CC[NH2+]CC4)C3)n2)cc1 ZINC000647989976 452733336 /nfs/dbraw/zinc/73/33/36/452733336.db2.gz LMYMDQPEQAXSMV-QGZVFWFLSA-N 2 0 340.475 1.556 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655958484 452738652 /nfs/dbraw/zinc/73/86/52/452738652.db2.gz LBDVVYGPHODTGS-JKSUJKDBSA-N 2 0 330.432 1.217 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)n1cncn1 ZINC000658138380 452746951 /nfs/dbraw/zinc/74/69/51/452746951.db2.gz MRCXYQOTBDZHJR-CRAIPNDOSA-N 2 0 343.475 1.758 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@]2(OCCO)CCOC2)CC1 ZINC000658148706 452757375 /nfs/dbraw/zinc/75/73/75/452757375.db2.gz OLKYUVGDSRJADC-QRQLOZEOSA-N 2 0 340.508 1.787 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(COC)CC1 ZINC000654689598 452810412 /nfs/dbraw/zinc/81/04/12/452810412.db2.gz LXRKKKXYKFSMAH-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846700 452846920 /nfs/dbraw/zinc/84/69/20/452846920.db2.gz UIESJWQXAPLNLN-HOCLYGCPSA-N 2 0 344.459 1.320 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N(C)CCCn2ccnc2)CC1 ZINC000656081244 452848098 /nfs/dbraw/zinc/84/80/98/452848098.db2.gz QSWBFWIGKKKQOZ-UHFFFAOYSA-N 2 0 349.479 1.064 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000652701791 452851851 /nfs/dbraw/zinc/85/18/51/452851851.db2.gz JCDIIABVLRBKNL-UHFFFAOYSA-N 2 0 346.475 1.000 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1ccc(S(C)(=O)=O)cc1F ZINC000664194505 452867705 /nfs/dbraw/zinc/86/77/05/452867705.db2.gz FSBOSWNIACCHFT-ZDUSSCGKSA-N 2 0 345.484 1.913 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](Oc2ccccc2)C1 ZINC000666438644 452871282 /nfs/dbraw/zinc/87/12/82/452871282.db2.gz WEMCAJIOLCOWIV-SAABIXHNSA-N 2 0 348.491 1.731 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000648169623 452881096 /nfs/dbraw/zinc/88/10/96/452881096.db2.gz CKVCYWFYMXWNBO-IAGOWNOFSA-N 2 0 331.460 1.946 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1c1ccccc1F ZINC000648177943 452889714 /nfs/dbraw/zinc/88/97/14/452889714.db2.gz CRGCPDCBMJECMB-OUCADQQQSA-N 2 0 327.350 1.324 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@@H]2[NH2+]CC2(C)C)CC1)Cc1ccccc1 ZINC000645933613 452912361 /nfs/dbraw/zinc/91/23/61/452912361.db2.gz LYMRYDMRIGJHDU-SFHVURJKSA-N 2 0 344.503 1.261 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977679 452964988 /nfs/dbraw/zinc/96/49/88/452964988.db2.gz IJPICGHRYPSJCJ-RHSMWYFYSA-N 2 0 330.476 1.605 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977681 452966523 /nfs/dbraw/zinc/96/65/23/452966523.db2.gz IJPICGHRYPSJCJ-YOEHRIQHSA-N 2 0 330.476 1.605 20 0 EDADRP C[C@@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000652814182 452975872 /nfs/dbraw/zinc/97/58/72/452975872.db2.gz SYBTZIPPDOMLNT-RYQLBKOJSA-N 2 0 331.460 1.438 20 0 EDADRP COc1ccnc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1OC ZINC000662282161 453007829 /nfs/dbraw/zinc/00/78/29/453007829.db2.gz STEIEQCAFFFTLJ-YOEHRIQHSA-N 2 0 335.448 1.817 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000662299133 453020131 /nfs/dbraw/zinc/02/01/31/453020131.db2.gz ZXXJUODNHAJEML-FHWLQOOXSA-N 2 0 349.519 1.868 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1 ZINC000662315825 453032896 /nfs/dbraw/zinc/03/28/96/453032896.db2.gz HJFVMILRCPKXJH-IAGOWNOFSA-N 2 0 333.476 1.974 20 0 EDADRP C[NH2+]C[C@@](C)(O)CN1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327516 453045464 /nfs/dbraw/zinc/04/54/64/453045464.db2.gz QGDOUEJKCJDKSW-GOSISDBHSA-N 2 0 335.496 1.027 20 0 EDADRP CCN1CC[C@@H]([NH+]2CCC(CCC[N@H+](C)CCOC)CC2)C1=O ZINC000660155940 453087922 /nfs/dbraw/zinc/08/79/22/453087922.db2.gz FGOUYILUNRODGC-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000662379215 453087909 /nfs/dbraw/zinc/08/79/09/453087909.db2.gz BYZKORXLGIAGJR-HOTGVXAUSA-N 2 0 333.476 1.910 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000658534055 453088998 /nfs/dbraw/zinc/08/89/98/453088998.db2.gz BANOEQIIDKSTJS-UHFFFAOYSA-N 2 0 346.475 1.487 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000644160230 453091196 /nfs/dbraw/zinc/09/11/96/453091196.db2.gz VBAFQTLWNLCWTP-FVQBIDKESA-N 2 0 337.414 1.868 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662416346 453126297 /nfs/dbraw/zinc/12/62/97/453126297.db2.gz XBQPPTPVUCZGPD-CQSZACIVSA-N 2 0 340.431 1.491 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662421799 453131261 /nfs/dbraw/zinc/13/12/61/453131261.db2.gz PBDSNRQQGMKWDD-AWEZNQCLSA-N 2 0 334.464 1.992 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662425443 453132743 /nfs/dbraw/zinc/13/27/43/453132743.db2.gz BRDICQACGYTLBO-CJNGLKHVSA-N 2 0 342.447 1.542 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCN1CCO ZINC000655017083 453140393 /nfs/dbraw/zinc/14/03/93/453140393.db2.gz VGBCTGOHUVWBPD-GOSISDBHSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCCN(Cc3ncon3)C2)CC[N@@H+]1C ZINC000646159408 453171180 /nfs/dbraw/zinc/17/11/80/453171180.db2.gz DXKGMHSOOXOTGJ-KKUMJFAQSA-N 2 0 335.452 1.128 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000662467969 453178809 /nfs/dbraw/zinc/17/88/09/453178809.db2.gz JJCUVBSXDZIOMX-OAHLLOKOSA-N 2 0 346.479 1.293 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662470102 453181053 /nfs/dbraw/zinc/18/10/53/453181053.db2.gz CQCMXRGNNYVWOR-SFHVURJKSA-N 2 0 330.476 1.317 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000660300422 453188710 /nfs/dbraw/zinc/18/87/10/453188710.db2.gz MWYAAGGDWQFJTA-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@H]4C[N@H+](C)C[C@@H]43)CC2)CC1 ZINC000655105213 453224298 /nfs/dbraw/zinc/22/42/98/453224298.db2.gz UNPUWOMFYWASFF-HKUYNNGSSA-N 2 0 348.535 1.345 20 0 EDADRP CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000646214273 453227480 /nfs/dbraw/zinc/22/74/80/453227480.db2.gz QWXNFUWGZASYDU-HZPDHXFCSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662526488 453246653 /nfs/dbraw/zinc/24/66/53/453246653.db2.gz ZPDBWVOMCRHYEE-UHFFFAOYSA-N 2 0 342.447 1.194 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666974480 453291844 /nfs/dbraw/zinc/29/18/44/453291844.db2.gz RGUBUASVCYCPFS-DJIMGWMZSA-N 2 0 338.496 1.221 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976672 453294893 /nfs/dbraw/zinc/29/48/93/453294893.db2.gz NDSAOZOQXNMSJF-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000662572728 453300209 /nfs/dbraw/zinc/30/02/09/453300209.db2.gz AXBJSKGGQQTKBG-QILLFSRXSA-N 2 0 325.497 1.742 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653114011 453301917 /nfs/dbraw/zinc/30/19/17/453301917.db2.gz VTVQGEOOMPHBCY-MPGHIAIKSA-N 2 0 349.500 1.312 20 0 EDADRP CO[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000662577001 453302875 /nfs/dbraw/zinc/30/28/75/453302875.db2.gz PKOJTFOHTCKWQQ-SFHVURJKSA-N 2 0 345.487 1.911 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121031 453311028 /nfs/dbraw/zinc/31/10/28/453311028.db2.gz LGEABTFHZCSOOU-JFIYKMOQSA-N 2 0 346.519 1.538 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)c(C)c2)CC1 ZINC000653123726 453318066 /nfs/dbraw/zinc/31/80/66/453318066.db2.gz FIHMATSBNHHRDG-KRWDZBQOSA-N 2 0 347.507 1.354 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662607515 453329227 /nfs/dbraw/zinc/32/92/27/453329227.db2.gz CVCWPVHTKNIRAR-UHFFFAOYSA-N 2 0 332.492 1.785 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000662614238 453333730 /nfs/dbraw/zinc/33/37/30/453333730.db2.gz NZAHJRBBLYKHOE-PKOBYXMFSA-N 2 0 335.492 1.383 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000653182680 453373143 /nfs/dbraw/zinc/37/31/43/453373143.db2.gz VYKVSHYTQVYCSH-OAHLLOKOSA-N 2 0 325.840 1.567 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662662157 453375710 /nfs/dbraw/zinc/37/57/10/453375710.db2.gz AUYKUOPFMGDQKN-MRXNPFEDSA-N 2 0 348.495 1.589 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000667067761 453383667 /nfs/dbraw/zinc/38/36/67/453383667.db2.gz IGSLXXRLMQIXIN-DZGCQCFKSA-N 2 0 332.448 1.635 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667088160 453396909 /nfs/dbraw/zinc/39/69/09/453396909.db2.gz FBFVQKBNSWCDDP-CVEARBPZSA-N 2 0 330.432 1.169 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3[NH2+]CCC3(C)C)ccc2oc1=O ZINC000662700773 453421288 /nfs/dbraw/zinc/42/12/88/453421288.db2.gz KNVQPXLZPPLZRX-OAHLLOKOSA-N 2 0 346.431 1.483 20 0 EDADRP C[C@@H]1CCCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H]1CC[NH3+] ZINC000653240441 453423046 /nfs/dbraw/zinc/42/30/46/453423046.db2.gz NXUNCDWWYLSGSL-IAGOWNOFSA-N 2 0 337.508 1.997 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC/C=C/C[NH3+] ZINC000667155217 453443016 /nfs/dbraw/zinc/44/30/16/453443016.db2.gz WKSKNXHAWWBNOG-SNAWJCMRSA-N 2 0 347.463 1.474 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cccc2c1CC[NH2+]C2 ZINC000662719825 453443203 /nfs/dbraw/zinc/44/32/03/453443203.db2.gz LBQMVUXCGVEGFS-UHFFFAOYSA-N 2 0 343.471 1.707 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000662743731 453471062 /nfs/dbraw/zinc/47/10/62/453471062.db2.gz LLGNNSYDPGLMOQ-QZTJIDSGSA-N 2 0 332.492 1.292 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664920883 453484298 /nfs/dbraw/zinc/48/42/98/453484298.db2.gz RMANAQODHQFYQG-HOTGVXAUSA-N 2 0 328.501 1.467 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662756037 453491656 /nfs/dbraw/zinc/49/16/56/453491656.db2.gz HAEMRKUCNWYKTA-YJBOKZPZSA-N 2 0 330.476 1.363 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1nccn1C ZINC000667246787 453506767 /nfs/dbraw/zinc/50/67/67/453506767.db2.gz QCOQDIKBTITJHG-LSDHHAIUSA-N 2 0 335.452 1.377 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662771327 453508731 /nfs/dbraw/zinc/50/87/31/453508731.db2.gz XDQIQUHEEJXETQ-MRXNPFEDSA-N 2 0 340.431 1.126 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)on1 ZINC000662789893 453524162 /nfs/dbraw/zinc/52/41/62/453524162.db2.gz GEYRMNCSGBNIBZ-UHFFFAOYSA-N 2 0 343.431 1.658 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CCCC2)CC1 ZINC000655447831 453534930 /nfs/dbraw/zinc/53/49/30/453534930.db2.gz GVFALGYBLUNTNW-HKUYNNGSSA-N 2 0 349.519 1.916 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000655449809 453536621 /nfs/dbraw/zinc/53/66/21/453536621.db2.gz QATSTURDZITHML-IEBWSBKVSA-N 2 0 348.535 1.443 20 0 EDADRP CCN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CC[N@H+](C)C1 ZINC000667325005 453557450 /nfs/dbraw/zinc/55/74/50/453557450.db2.gz NUCLFWAXBJFHRM-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000662832585 453559363 /nfs/dbraw/zinc/55/93/63/453559363.db2.gz IVMBBTHNIQEIDH-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000662833393 453559576 /nfs/dbraw/zinc/55/95/76/453559576.db2.gz PVWVQOSLNSOBPV-MSOLQXFVSA-N 2 0 331.460 1.442 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000662833111 453559796 /nfs/dbraw/zinc/55/97/96/453559796.db2.gz MPMWBTPSITXCPK-QZTJIDSGSA-N 2 0 349.450 1.581 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750108 453560314 /nfs/dbraw/zinc/56/03/14/453560314.db2.gz AQLQVVIHELZUTI-KZNAEPCWSA-N 2 0 336.524 1.251 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662845283 453567182 /nfs/dbraw/zinc/56/71/82/453567182.db2.gz HKARFPSVLSISLN-PKOBYXMFSA-N 2 0 327.472 1.939 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)[C@H]2C1 ZINC000667336715 453567846 /nfs/dbraw/zinc/56/78/46/453567846.db2.gz NGEPVLIVSJHAQO-MSOLQXFVSA-N 2 0 334.508 1.844 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)C[NH2+]C ZINC000658999307 453574516 /nfs/dbraw/zinc/57/45/16/453574516.db2.gz JITNBEOWZIJWJO-CQSZACIVSA-N 2 0 349.479 1.567 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000659018957 453582992 /nfs/dbraw/zinc/58/29/92/453582992.db2.gz UFHSDYMPULQZLM-MRXNPFEDSA-N 2 0 346.475 1.907 20 0 EDADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659034350 453590707 /nfs/dbraw/zinc/59/07/07/453590707.db2.gz LYAWKQCTTGGVJH-MSOLQXFVSA-N 2 0 344.459 1.953 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662915456 453601960 /nfs/dbraw/zinc/60/19/60/453601960.db2.gz MPGLEAWJIRJAAR-KRWDZBQOSA-N 2 0 331.460 1.432 20 0 EDADRP CO[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCOC1 ZINC000665235265 453619141 /nfs/dbraw/zinc/61/91/41/453619141.db2.gz SVXFADPHJVAOCG-WLWJZTKJSA-N 2 0 332.444 1.883 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](Cn2cccn2)C(C)C)CC1 ZINC000665289882 453637419 /nfs/dbraw/zinc/63/74/19/453637419.db2.gz ZXESNKPRLKXYLM-QGZVFWFLSA-N 2 0 335.496 1.488 20 0 EDADRP C[C@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000665292159 453639671 /nfs/dbraw/zinc/63/96/71/453639671.db2.gz USXFKHSOTAYIDH-BBRMVZONSA-N 2 0 327.432 1.394 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013173 453646883 /nfs/dbraw/zinc/64/68/83/453646883.db2.gz ACAYACYQUDNXPO-KSSFIOAISA-N 2 0 348.495 1.043 20 0 EDADRP CC(C)[NH2+]CC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000659247295 453683995 /nfs/dbraw/zinc/68/39/95/453683995.db2.gz UQDHVDAWNKNJMB-AWEZNQCLSA-N 2 0 336.455 1.753 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349844 453724684 /nfs/dbraw/zinc/72/46/84/453724684.db2.gz NBAHYSMLEUBVHV-VWPFQQQWSA-N 2 0 337.414 1.902 20 0 EDADRP Cc1c(Br)cncc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000657354521 453773263 /nfs/dbraw/zinc/77/32/63/453773263.db2.gz RDQJJZTWLZKUFG-LBPRGKRZSA-N 2 0 341.297 1.878 20 0 EDADRP CCCn1nccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000657367984 453775904 /nfs/dbraw/zinc/77/59/04/453775904.db2.gz RVZRKVJPBPZMQH-UHFFFAOYSA-N 2 0 343.475 1.874 20 0 EDADRP c1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)c(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000663424952 453794185 /nfs/dbraw/zinc/79/41/85/453794185.db2.gz KOOLBHHTLLBRPR-OKILXGFUSA-N 2 0 328.464 1.774 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000663444738 453800733 /nfs/dbraw/zinc/80/07/33/453800733.db2.gz DTPFESLSVPAHRC-KRWDZBQOSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000663449027 453801414 /nfs/dbraw/zinc/80/14/14/453801414.db2.gz AGJHFVDTFRBMJU-BZSNNMDCSA-N 2 0 348.491 1.386 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000663455060 453802772 /nfs/dbraw/zinc/80/27/72/453802772.db2.gz XJFPOLJQNACUFM-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP c1ncc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663510933 453813147 /nfs/dbraw/zinc/81/31/47/453813147.db2.gz IHAWFIOCJDNACL-ZDUSSCGKSA-N 2 0 332.477 1.655 20 0 EDADRP [NH3+][C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000662860652 486662323 /nfs/dbraw/zinc/66/23/23/486662323.db2.gz SSNCNVRYCXGHLU-MOPGFXCFSA-N 2 0 339.439 1.569 20 0 EDADRP C[NH+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000676166873 486681700 /nfs/dbraw/zinc/68/17/00/486681700.db2.gz FIEGZUNSHHZSON-JKSUJKDBSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)[NH+]1CCC(C)CC1 ZINC000676245327 486704776 /nfs/dbraw/zinc/70/47/76/486704776.db2.gz LODZVXWCESDEGI-OWCLPIDISA-N 2 0 326.485 1.125 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)[C@H]2CCC[C@@H]21 ZINC000671747114 486740275 /nfs/dbraw/zinc/74/02/75/486740275.db2.gz JMCLHRBPTPKSNK-LMSBXDPUSA-N 2 0 342.487 1.827 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416978615 486790345 /nfs/dbraw/zinc/79/03/45/486790345.db2.gz VXUYWAOITLPWJI-HZPDHXFCSA-N 2 0 334.464 1.696 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C(C)(C)CS(C)(=O)=O)cc1 ZINC000680829707 486862347 /nfs/dbraw/zinc/86/23/47/486862347.db2.gz DTEVEOIBMCLLDV-UHFFFAOYSA-N 2 0 328.478 1.540 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000673177109 486936058 /nfs/dbraw/zinc/93/60/58/486936058.db2.gz GEPZGGJGBIHJMJ-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000684257035 487003376 /nfs/dbraw/zinc/00/33/76/487003376.db2.gz SZMRQPUDGSIRRX-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@H]1CN(C)CCO1 ZINC000677335817 487048982 /nfs/dbraw/zinc/04/89/82/487048982.db2.gz CLFSJSGDIPZMJN-BHYGNILZSA-N 2 0 338.496 1.079 20 0 EDADRP C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670700 487085117 /nfs/dbraw/zinc/08/51/17/487085117.db2.gz NKXWOBORDSKRHW-JXFKEZNVSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000674245679 487222789 /nfs/dbraw/zinc/22/27/89/487222789.db2.gz SXQJWTHSSLNGQA-WMZOPIPTSA-N 2 0 332.492 1.432 20 0 EDADRP CN(CC[NH+](C)C)c1nc2cccnc2nc1N(C)CC[NH+](C)C ZINC000675153361 487383296 /nfs/dbraw/zinc/38/32/96/487383296.db2.gz LFWLYMMEMAVBAO-UHFFFAOYSA-N 2 0 331.468 1.020 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000675179103 487385250 /nfs/dbraw/zinc/38/52/50/487385250.db2.gz WOYCJIBERNAMJR-YESZJQIVSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000675741879 487440482 /nfs/dbraw/zinc/44/04/82/487440482.db2.gz IUWIJBAPWAKTDX-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP CC[C@@H]1CN(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC[C@@H]1[NH3+] ZINC000669513901 485478684 /nfs/dbraw/zinc/47/86/84/485478684.db2.gz PKJZKCYSJFTIMW-WBVHZDCISA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000669139193 485728551 /nfs/dbraw/zinc/72/85/51/485728551.db2.gz FRHBOSXGIHMBNI-SJLPKXTDSA-N 2 0 348.491 1.896 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000668592661 485928360 /nfs/dbraw/zinc/92/83/60/485928360.db2.gz LEJAAENTQFQMQR-QAPCUYQASA-N 2 0 346.475 1.822 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000343825040 485938216 /nfs/dbraw/zinc/93/82/16/485938216.db2.gz GWQZTBDLYHYHPJ-QGTPRVQTSA-N 2 0 335.492 1.334 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000237108183 485953109 /nfs/dbraw/zinc/95/31/09/485953109.db2.gz NGPYZEGGGYQHBI-QGZVFWFLSA-N 2 0 335.448 1.724 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000669389697 486025776 /nfs/dbraw/zinc/02/57/76/486025776.db2.gz WTCNQFPEYIUMSQ-OAHLLOKOSA-N 2 0 340.537 1.789 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)NCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000669402562 486072539 /nfs/dbraw/zinc/07/25/39/486072539.db2.gz GUIDMBOOZNDTQM-GOSISDBHSA-N 2 0 330.476 1.978 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000672693402 486179390 /nfs/dbraw/zinc/17/93/90/486179390.db2.gz ACCDULLRIODZIH-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000672693400 486179548 /nfs/dbraw/zinc/17/95/48/486179548.db2.gz ACCDULLRIODZIH-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000669459229 486213595 /nfs/dbraw/zinc/21/35/95/486213595.db2.gz VTZDZGMZDORHHD-QZTJIDSGSA-N 2 0 330.476 1.541 20 0 EDADRP O=C(NCC1C[NH2+]C1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000669477698 486237818 /nfs/dbraw/zinc/23/78/18/486237818.db2.gz DDKYJZAGMILEDY-UHFFFAOYSA-N 2 0 326.510 1.257 20 0 EDADRP CN(CC[NH+]1CCCCC1)c1nnc([C@@H]2C[N@@H+]3CCC[C@@H]3CO2)n1C ZINC000668930983 486355370 /nfs/dbraw/zinc/35/53/70/486355370.db2.gz UJPKENRTNZAJQR-CVEARBPZSA-N 2 0 348.495 1.273 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000669135407 491019463 /nfs/dbraw/zinc/01/94/63/491019463.db2.gz ZQLHBCMXCLXVOR-INIZCTEOSA-N 2 0 334.464 1.568 20 0 EDADRP CC1(C)C[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263671274 534927393 /nfs/dbraw/zinc/92/73/93/534927393.db2.gz CALPCIUSULGATK-MRXNPFEDSA-N 2 0 331.464 1.691 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237195873 536545933 /nfs/dbraw/zinc/54/59/33/536545933.db2.gz BXCNXGATKJWPPY-CRAIPNDOSA-N 2 0 333.476 1.940 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000152528325 535356674 /nfs/dbraw/zinc/35/66/74/535356674.db2.gz YFGFHSHBPAGFKV-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1CCOC ZINC000345760634 535432049 /nfs/dbraw/zinc/43/20/49/535432049.db2.gz UYLUGATXJWZBEX-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccnn1C ZINC000263657762 535592708 /nfs/dbraw/zinc/59/27/08/535592708.db2.gz CIIVBFKVMPSDKO-IJDCCNJMSA-N 2 0 333.480 1.308 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000350987100 535667659 /nfs/dbraw/zinc/66/76/59/535667659.db2.gz KMLNFWDKYWMXNR-JKSUJKDBSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000347470104 535675835 /nfs/dbraw/zinc/67/58/35/535675835.db2.gz AGUWXAUQXJLDDV-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000248027084 535682473 /nfs/dbraw/zinc/68/24/73/535682473.db2.gz JTYVEXYZCOLMKT-QUCCMNQESA-N 2 0 344.503 1.576 20 0 EDADRP CCN(C)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264274619 535713587 /nfs/dbraw/zinc/71/35/87/535713587.db2.gz BUSJLEPKQMBTDR-IBGZPJMESA-N 2 0 347.503 1.842 20 0 EDADRP CC[C@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264310855 535848605 /nfs/dbraw/zinc/84/86/05/535848605.db2.gz QFJXKMIRCMLRBW-SFHVURJKSA-N 2 0 349.479 1.054 20 0 EDADRP CC[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1O ZINC000270989294 535848675 /nfs/dbraw/zinc/84/86/75/535848675.db2.gz XWOMPXPTBWKYLL-MOPGFXCFSA-N 2 0 345.487 1.601 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262665421 535951688 /nfs/dbraw/zinc/95/16/88/535951688.db2.gz JKLUDXKCVUFTJD-SNRMKQJTSA-N 2 0 347.503 1.922 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000269915846 535971692 /nfs/dbraw/zinc/97/16/92/535971692.db2.gz OVYCIPWRRFXOPZ-LJQANCHMSA-N 2 0 333.476 1.715 20 0 EDADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262330427 536003304 /nfs/dbraw/zinc/00/33/04/536003304.db2.gz GQCLLJFRNOMIPC-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccsc1 ZINC000262146348 536126512 /nfs/dbraw/zinc/12/65/12/536126512.db2.gz HMHZHIYGYSBUES-HNNXBMFYSA-N 2 0 347.488 1.442 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263213534 536752500 /nfs/dbraw/zinc/75/25/00/536752500.db2.gz KMZNTDPBKIGAIF-MAUKXSAKSA-N 2 0 325.497 1.900 20 0 EDADRP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000742780191 579462136 /nfs/dbraw/zinc/46/21/36/579462136.db2.gz IMZLUULSDBZXEA-IRXDYDNUSA-N 2 0 325.497 1.556 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C(C)(C)COC)cc2)CC1 ZINC000728114925 578543918 /nfs/dbraw/zinc/54/39/18/578543918.db2.gz BPFGZAGHOFNFPB-UHFFFAOYSA-N 2 0 348.491 1.782 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000760167696 580024746 /nfs/dbraw/zinc/02/47/46/580024746.db2.gz RVJGHOUNZUJDHS-UHFFFAOYSA-N 2 0 342.528 1.597 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=S)NCC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000760483669 580031824 /nfs/dbraw/zinc/03/18/24/580031824.db2.gz BZTYBEGOMXVOMO-ZBFHGGJFSA-N 2 0 326.554 1.865 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000732448204 578712726 /nfs/dbraw/zinc/71/27/26/578712726.db2.gz FPZAHNAHLSCBNY-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734272137 578804138 /nfs/dbraw/zinc/80/41/38/578804138.db2.gz BGNPFMMJYDUQGR-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)[N@H+](C)Cc1ccccc1 ZINC000735855715 578929428 /nfs/dbraw/zinc/92/94/28/578929428.db2.gz NVLDCQMMOPIJSG-KBAYOESNSA-N 2 0 331.460 1.486 20 0 EDADRP C[N@H+](CCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000736857425 579027101 /nfs/dbraw/zinc/02/71/01/579027101.db2.gz NNXLQIHMEINFCK-AWEZNQCLSA-N 2 0 330.436 1.519 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H](C)[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000745696614 579558246 /nfs/dbraw/zinc/55/82/46/579558246.db2.gz HGNSGMNEGAJWOY-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCCC[NH2+]C2CCCCC2)cn1 ZINC000747557632 579649155 /nfs/dbraw/zinc/64/91/55/579649155.db2.gz OZCKEFCOSMPUDT-UHFFFAOYSA-N 2 0 336.484 1.879 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000748617214 579695402 /nfs/dbraw/zinc/69/54/02/579695402.db2.gz IRTWUISNVRPPAK-HOCLYGCPSA-N 2 0 328.526 1.597 20 0 EDADRP C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000763069406 580091883 /nfs/dbraw/zinc/09/18/83/580091883.db2.gz OMVUPTKUIPLXNP-HNAYVOBHSA-N 2 0 345.487 1.516 20 0 EDADRP CC[NH+]1CCC([NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC1 ZINC000775407881 580390310 /nfs/dbraw/zinc/39/03/10/580390310.db2.gz HIZQPSVWPKCFHJ-UHFFFAOYSA-N 2 0 339.452 1.325 20 0 EDADRP Cn1cncc1[C@H]1CC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000783989713 580610502 /nfs/dbraw/zinc/61/05/02/580610502.db2.gz IANKFWXLNSOSNF-SJORKVTESA-N 2 0 345.491 1.357 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)OCCOC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000785740579 580652101 /nfs/dbraw/zinc/65/21/01/580652101.db2.gz DECFUATVZSXTDQ-KLHDSHLOSA-N 2 0 340.464 1.818 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1)N1CC[NH+](C)CC1 ZINC000786832928 580680611 /nfs/dbraw/zinc/68/06/11/580680611.db2.gz UJLRFBPLMIQSND-HZPDHXFCSA-N 2 0 345.491 1.503 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](CC3CC[NH+](C)CC3)CC2)cc1 ZINC000788472093 580722224 /nfs/dbraw/zinc/72/22/24/580722224.db2.gz YIKATDMEGASBPV-UHFFFAOYSA-N 2 0 331.460 1.795 20 0 EDADRP COC(=O)/C(C)=C\C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277130 580949838 /nfs/dbraw/zinc/94/98/38/580949838.db2.gz VCADYMQZHSVONS-NVMNQCDNSA-N 2 0 345.487 1.855 20 0 EDADRP Cn1c(Cl)nc(Cl)c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799345436 581026132 /nfs/dbraw/zinc/02/61/32/581026132.db2.gz BOGAEASMDQYJFZ-UHFFFAOYSA-N 2 0 334.295 1.843 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C2(C[NH3+])CCCCC2)CCCO1 ZINC000891858625 590659069 /nfs/dbraw/zinc/65/90/69/590659069.db2.gz SVOPHPLAXMZFRE-MRXNPFEDSA-N 2 0 340.512 1.790 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)[C@H]1OC ZINC000893114267 590668246 /nfs/dbraw/zinc/66/82/46/590668246.db2.gz UNQCGVYJFQFGLH-IGKNDFSCSA-N 2 0 326.481 1.536 20 0 EDADRP C[C@H]1CN(C(=O)NCCC2=CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000892101466 590800254 /nfs/dbraw/zinc/80/02/54/590800254.db2.gz RRBAAPJRQMLGOW-HNNXBMFYSA-N 2 0 329.448 1.612 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1)[C@H](C)[NH3+] ZINC000892144031 590820011 /nfs/dbraw/zinc/82/00/11/590820011.db2.gz GXIOWDBSJBCANA-JHDROBOHSA-N 2 0 330.476 1.886 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000892189503 590856996 /nfs/dbraw/zinc/85/69/96/590856996.db2.gz VRTFUMXHFLVFTI-XVSSEFHLSA-N 2 0 336.402 1.638 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000892209669 590864998 /nfs/dbraw/zinc/86/49/98/590864998.db2.gz GGDLESUZAJUUES-STQMWFEESA-N 2 0 330.354 1.424 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892214003 590867675 /nfs/dbraw/zinc/86/76/75/590867675.db2.gz LYBABIMEVHGSJD-UHFFFAOYSA-N 2 0 339.509 1.647 20 0 EDADRP C[NH+]1CCC(CNc2ccnc(NCC3CC[NH+](C)CC3)n2)CC1 ZINC000892258188 590890657 /nfs/dbraw/zinc/89/06/57/590890657.db2.gz QGNNJBAWEMKAOB-UHFFFAOYSA-N 2 0 332.496 1.984 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000892284468 590913375 /nfs/dbraw/zinc/91/33/75/590913375.db2.gz YQFIHHMBDYOBCD-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP Cn1ccnc1[C@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892341831 590970525 /nfs/dbraw/zinc/97/05/25/590970525.db2.gz KADRLAPJVXYYGC-INIZCTEOSA-N 2 0 339.443 1.765 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)[NH2+]C1 ZINC000892385959 591004847 /nfs/dbraw/zinc/00/48/47/591004847.db2.gz XIHWZMXZMANZRL-OAGGEKHMSA-N 2 0 338.496 1.302 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892443788 591030537 /nfs/dbraw/zinc/03/05/37/591030537.db2.gz GMKGTMAHMRJACT-SHTZXODSSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000892479819 591041882 /nfs/dbraw/zinc/04/18/82/591041882.db2.gz PNJQUEOBTHVRLO-IAGOWNOFSA-N 2 0 346.475 1.473 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491402 591047984 /nfs/dbraw/zinc/04/79/84/591047984.db2.gz JLZSPMXXJIATNQ-HZPDHXFCSA-N 2 0 339.528 1.090 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000891340709 591050541 /nfs/dbraw/zinc/05/05/41/591050541.db2.gz UDQMLXUQVJXLPG-UHFFFAOYSA-N 2 0 327.517 1.173 20 0 EDADRP [NH3+][C@H]1CCCCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000891346625 591052354 /nfs/dbraw/zinc/05/23/54/591052354.db2.gz AKXDCAKUNJCDBS-SFHVURJKSA-N 2 0 330.476 1.958 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1)C1CC1 ZINC000891480637 591086639 /nfs/dbraw/zinc/08/66/39/591086639.db2.gz FIDLSOKPIFYMDO-SFHVURJKSA-N 2 0 346.475 1.835 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)NCCC(C)(C)[NH3+])c2ccccc2)CC1 ZINC000891501936 591096967 /nfs/dbraw/zinc/09/69/67/591096967.db2.gz LZTQAHFEHSILPR-KRWDZBQOSA-N 2 0 347.507 1.402 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1cccs1 ZINC000891510188 591099055 /nfs/dbraw/zinc/09/90/55/591099055.db2.gz WARUVVWPKKICOM-JJRVBVJISA-N 2 0 336.505 1.944 20 0 EDADRP Cc1[nH+]ccc(NC[C@@H](C)C[NH+]2CCOCC2)c1Br ZINC000892622146 591100261 /nfs/dbraw/zinc/10/02/61/591100261.db2.gz MZAKGYZBHULEOU-LLVKDONJSA-N 2 0 328.254 1.955 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@H](C)[N@H+](C)C2CC2)c1 ZINC000891513917 591101056 /nfs/dbraw/zinc/10/10/56/591101056.db2.gz JSKPDBPEJFYVIA-RDTXWAMCSA-N 2 0 346.475 1.834 20 0 EDADRP C[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)[N@H+](C)Cc1ccccc1 ZINC000891539077 591113714 /nfs/dbraw/zinc/11/37/14/591113714.db2.gz ZIJVDLIUQJXNNE-AWEZNQCLSA-N 2 0 327.432 1.984 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC1 ZINC000892687845 591130964 /nfs/dbraw/zinc/13/09/64/591130964.db2.gz YFPBSRNKMFPJGL-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)NC(=O)c1cnn2c1C[C@@H](C[NH2+]CC1CC[NH+](C)CC1)CC2 ZINC000893925728 591140532 /nfs/dbraw/zinc/14/05/32/591140532.db2.gz OCPPNVVQQPPZSA-INIZCTEOSA-N 2 0 347.507 1.515 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000892759608 591164972 /nfs/dbraw/zinc/16/49/72/591164972.db2.gz KEZMXTSJWRDZJO-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP CN(C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892788625 591178766 /nfs/dbraw/zinc/17/87/66/591178766.db2.gz FFCWZPCUDRCUGR-KTGAGVNESA-N 2 0 328.460 1.625 20 0 EDADRP CCOC1CC(C[NH2+]CC2CC[NH+](C)CC2)(N2CCOCC2)C1 ZINC000894055967 591180353 /nfs/dbraw/zinc/18/03/53/591180353.db2.gz COPIPZBARJIGBX-UHFFFAOYSA-N 2 0 325.497 1.188 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892807732 591186835 /nfs/dbraw/zinc/18/68/35/591186835.db2.gz FSBVUAPAQGHBEB-GOSISDBHSA-N 2 0 330.476 1.684 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000891728152 591201314 /nfs/dbraw/zinc/20/13/14/591201314.db2.gz LCFFSKVIMWCLKW-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000894163865 591213246 /nfs/dbraw/zinc/21/32/46/591213246.db2.gz JPTBVIBKVUIZNW-INIZCTEOSA-N 2 0 328.501 1.376 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892929059 591228241 /nfs/dbraw/zinc/22/82/41/591228241.db2.gz RTFGKEKXFALDIX-BRWVUGGUSA-N 2 0 343.487 1.483 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000892933349 591229279 /nfs/dbraw/zinc/22/92/79/591229279.db2.gz JMUHJCZVJFZVKV-JYJNAYRXSA-N 2 0 338.496 1.528 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892938964 591231336 /nfs/dbraw/zinc/23/13/36/591231336.db2.gz VNIXCUSAULPFAU-IRXDYDNUSA-N 2 0 343.487 1.483 20 0 EDADRP CN1C[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)CC1=O ZINC000894211705 591231958 /nfs/dbraw/zinc/23/19/58/591231958.db2.gz STPOIXOEEGIACJ-LBPRGKRZSA-N 2 0 341.358 1.390 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000892943107 591232762 /nfs/dbraw/zinc/23/27/62/591232762.db2.gz DHWIUIMOSJQIPX-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21 ZINC000894234514 591239930 /nfs/dbraw/zinc/23/99/30/591239930.db2.gz UAMGQDCOJZUEGE-OQIJWPOYSA-N 2 0 342.487 1.852 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3CCO)C1 ZINC000895656197 591241814 /nfs/dbraw/zinc/24/18/14/591241814.db2.gz YDRBIRLYDBSYKS-XHSDSOJGSA-N 2 0 338.496 1.100 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000895851819 591287783 /nfs/dbraw/zinc/28/77/83/591287783.db2.gz WRKXIUKYFALXKV-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP COC[C@H](C[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)OC ZINC000894433750 591311701 /nfs/dbraw/zinc/31/17/01/591311701.db2.gz AZCHKXOEBMQQTQ-ZDUSSCGKSA-N 2 0 346.374 1.821 20 0 EDADRP CN(Cc1cnn(C)c1C1CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459891 591318455 /nfs/dbraw/zinc/31/84/55/591318455.db2.gz RFNQTOQDOLFSEN-SFHVURJKSA-N 2 0 331.508 1.898 20 0 EDADRP C[C@@H]1CO[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000896017591 591324013 /nfs/dbraw/zinc/32/40/13/591324013.db2.gz MYODPESUWOAQRM-RDJZCZTQSA-N 2 0 332.448 1.135 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000897466446 591467780 /nfs/dbraw/zinc/46/77/80/591467780.db2.gz UQKBUZQJCFBIAD-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[C@H]1C[NH+](C)CCN1C ZINC000896541779 591505830 /nfs/dbraw/zinc/50/58/30/591505830.db2.gz IDDNXFOKEYGBTG-CGTJXYLNSA-N 2 0 336.524 1.534 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CCCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000897554126 591550952 /nfs/dbraw/zinc/55/09/52/591550952.db2.gz OJIKSEQKRFECPG-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2(N3CCOCC3)CC2)[C@@H]1c1ccccc1 ZINC000897576734 591563966 /nfs/dbraw/zinc/56/39/66/591563966.db2.gz NQAGQBOMDXHJNB-ROUUACIJSA-N 2 0 343.471 1.660 20 0 EDADRP C[NH+]1C[C@H]2CCN(C(=O)NC[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000897592337 591573375 /nfs/dbraw/zinc/57/33/75/591573375.db2.gz UXAZOSZZUXAWES-AKHDSKFASA-N 2 0 342.487 1.677 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896749808 591602617 /nfs/dbraw/zinc/60/26/17/591602617.db2.gz XZQCAHHYPORSJM-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)C1C[NH+](C2CCOCC2)C1 ZINC000896843313 591630267 /nfs/dbraw/zinc/63/02/67/591630267.db2.gz PRPXEKZUFLOCNK-UHFFFAOYSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000896877174 591642584 /nfs/dbraw/zinc/64/25/84/591642584.db2.gz HIWORXZZYZQGQJ-SFHVURJKSA-N 2 0 337.508 1.581 20 0 EDADRP COCCc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000895306426 591706456 /nfs/dbraw/zinc/70/64/56/591706456.db2.gz JJXOKBCHTVQPPV-SFHVURJKSA-N 2 0 336.476 1.547 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899229639 591737371 /nfs/dbraw/zinc/73/73/71/591737371.db2.gz DRJONQCPKSLHFR-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP c1nn(-c2ccncc2)c2ncnc(NCC3CC4(C3)OCCO4)c12 ZINC000899261423 591752898 /nfs/dbraw/zinc/75/28/98/591752898.db2.gz GMVYKBRXPVPHDY-UHFFFAOYSA-N 2 0 338.371 1.776 20 0 EDADRP C[C@@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895602893 591815103 /nfs/dbraw/zinc/81/51/03/591815103.db2.gz FSIOPNOEJGNQBD-HRCADAONSA-N 2 0 342.528 1.713 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000900020905 591871607 /nfs/dbraw/zinc/87/16/07/591871607.db2.gz VXTBGCXAKYXZFA-MJGOQNOKSA-N 2 0 331.460 1.354 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCn2ccc(=O)[nH]c2=O)CC1 ZINC000898333809 591875372 /nfs/dbraw/zinc/87/53/72/591875372.db2.gz WXIGCWACERVTJR-DOTOQJQBSA-N 2 0 348.491 1.972 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)[C@H](C)C1 ZINC000898367022 591892597 /nfs/dbraw/zinc/89/25/97/591892597.db2.gz KGLLKUAGPOVLQM-UPJWGTAASA-N 2 0 339.871 1.734 20 0 EDADRP CCn1cnc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000902138339 591920122 /nfs/dbraw/zinc/92/01/22/591920122.db2.gz JPWSILVWVIIAHG-UHFFFAOYSA-N 2 0 328.464 1.600 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900240388 591952046 /nfs/dbraw/zinc/95/20/46/591952046.db2.gz KGLYPEBISBLSQB-JYSRZZCRSA-N 2 0 335.492 1.620 20 0 EDADRP CCCn1ccnc1CCCN(C)CN1C[C@]2(CCCOC2)C1=O ZINC000902237215 591952540 /nfs/dbraw/zinc/95/25/40/591952540.db2.gz GTBUHFWRGFJOPE-SFHVURJKSA-N 2 0 334.464 1.754 20 0 EDADRP O[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C1(O)CCOCC1 ZINC000899875026 591968839 /nfs/dbraw/zinc/96/88/39/591968839.db2.gz CBUPLPXXXNEECI-IBGZPJMESA-N 2 0 348.487 1.391 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@H](C)C2([NH3+])CC2)N2CCOCC2)cc1OC ZINC000902329205 591979358 /nfs/dbraw/zinc/97/93/58/591979358.db2.gz QLOMCHZIMURWLA-ZBFHGGJFSA-N 2 0 349.475 1.547 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902336084 591980672 /nfs/dbraw/zinc/98/06/72/591980672.db2.gz DNSJXJCJYSOMDI-HNNXBMFYSA-N 2 0 331.526 1.558 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)C1 ZINC000902406658 591987307 /nfs/dbraw/zinc/98/73/07/591987307.db2.gz PGGSNSQNNAFHSM-OAHLLOKOSA-N 3 0 328.464 1.594 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000900327463 591991516 /nfs/dbraw/zinc/99/15/16/591991516.db2.gz ZFCVJSWAZSRLQO-IEBWSBKVSA-N 2 0 337.508 1.556 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCCC1 ZINC000902450289 591999079 /nfs/dbraw/zinc/99/90/79/591999079.db2.gz CGFVFDRSURGJAF-OWCLPIDISA-N 2 0 329.510 1.312 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000902501019 592003029 /nfs/dbraw/zinc/00/30/29/592003029.db2.gz PIWKINFLADUOOH-DGELNIIYSA-N 2 0 325.456 1.828 20 0 EDADRP O=S1(=O)CCC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000902502072 592003765 /nfs/dbraw/zinc/00/37/65/592003765.db2.gz LJZJMOCQIPPXRO-YSVLISHTSA-N 2 0 336.457 1.409 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900428944 592015654 /nfs/dbraw/zinc/01/56/54/592015654.db2.gz LNDQHJZYISAQKM-ZACQAIPSSA-N 2 0 347.507 1.922 20 0 EDADRP c1nc(N2CCC[C@]23CC[NH2+]C3)cc(N2CCC[C@]23CC[NH2+]C3)n1 ZINC000900451582 592021211 /nfs/dbraw/zinc/02/12/11/592021211.db2.gz WHANSSNTUUTRFZ-QZTJIDSGSA-N 2 0 328.464 1.141 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900530698 592048484 /nfs/dbraw/zinc/04/84/84/592048484.db2.gz ZULBVZCWALURBG-MJGOQNOKSA-N 2 0 333.476 1.552 20 0 EDADRP [NH2+]=C(NOCCc1c(F)cccc1F)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902806178 592062896 /nfs/dbraw/zinc/06/28/96/592062896.db2.gz NKARFBCAGARCSA-XHDPSFHLSA-N 2 0 325.359 1.869 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900622083 592074037 /nfs/dbraw/zinc/07/40/37/592074037.db2.gz AWGJBCIUIJCKDQ-INIZCTEOSA-N 2 0 330.432 1.741 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900663548 592084974 /nfs/dbraw/zinc/08/49/74/592084974.db2.gz UJAFBUYGMQMSER-XLIONFOSSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900733421 592111882 /nfs/dbraw/zinc/11/18/82/592111882.db2.gz DSEKLFPKSUZXNO-BPAFIMBUSA-N 2 0 345.487 1.783 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000903116863 592123708 /nfs/dbraw/zinc/12/37/08/592123708.db2.gz JSGBVLAOCVUGDH-CFRSGVNKSA-N 2 0 339.524 1.703 20 0 EDADRP C[C@H](NC(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+](C)CCN1C ZINC000900811675 592133100 /nfs/dbraw/zinc/13/31/00/592133100.db2.gz MYEOLTBHGSVPLA-LPHOPBHVSA-N 2 0 344.503 1.185 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCOC23CCCC3)(N2CCOCC2)CC1 ZINC000903187291 592135376 /nfs/dbraw/zinc/13/53/76/592135376.db2.gz ZXWZOTAADQIQNY-KRWDZBQOSA-N 2 0 337.508 1.474 20 0 EDADRP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903277509 592150296 /nfs/dbraw/zinc/15/02/96/592150296.db2.gz ATVZXHOJSJNXDB-YSIASYRMSA-N 2 0 347.503 1.180 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000903495100 592186679 /nfs/dbraw/zinc/18/66/79/592186679.db2.gz VFRITIOPCFBDMJ-ZDXGLAPJSA-N 2 0 349.475 1.132 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510811 592190704 /nfs/dbraw/zinc/19/07/04/592190704.db2.gz KTUUGEKGIMTPFT-YTQUADARSA-N 2 0 348.535 1.534 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)C1 ZINC000900995388 592200057 /nfs/dbraw/zinc/20/00/57/592200057.db2.gz LONSKCKYQJKXPR-RBSFLKMASA-N 2 0 337.464 1.003 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cncn3)c(F)c1)CC2 ZINC000904389708 592243425 /nfs/dbraw/zinc/24/34/25/592243425.db2.gz RQRUGCKRFZBIFI-HNNXBMFYSA-N 2 0 345.422 1.736 20 0 EDADRP CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904473767 592268616 /nfs/dbraw/zinc/26/86/16/592268616.db2.gz CQLJPOVGFFQOEK-KSFYIVLOSA-N 2 0 330.542 1.663 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CN=[S@](C)(=O)N(C)C)CC2)CC[NH2+]1 ZINC000904477916 592269779 /nfs/dbraw/zinc/26/97/79/592269779.db2.gz ZTEPRQGGKISOOJ-RQVMVGKASA-N 2 0 330.542 1.661 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3C[NH2+]CC3(C)C)ccc21 ZINC000906701989 592275313 /nfs/dbraw/zinc/27/53/13/592275313.db2.gz UGOOHPYTKXLVLI-JKSUJKDBSA-N 2 0 344.459 1.288 20 0 EDADRP COc1cc2c(cc1OC)C[N@H+](C[C@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903718865 592280227 /nfs/dbraw/zinc/28/02/27/592280227.db2.gz SLTVKJWZPHDORL-APWZRJJASA-N 2 0 332.444 1.831 20 0 EDADRP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903721902 592283087 /nfs/dbraw/zinc/28/30/87/592283087.db2.gz GACSXBMPGFIQGV-MJQMVNBJSA-N 2 0 337.508 1.772 20 0 EDADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903726050 592285145 /nfs/dbraw/zinc/28/51/45/592285145.db2.gz JWHSXBKCIMXHKR-FAJBIJEISA-N 2 0 337.508 1.772 20 0 EDADRP CCN1C[C@H](C[N@H+](C)C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)Oc2ccccc21 ZINC000903731964 592288064 /nfs/dbraw/zinc/28/80/64/592288064.db2.gz BKQALJSWPZHXSS-ABSDTBQOSA-N 2 0 345.487 1.974 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904596096 592292738 /nfs/dbraw/zinc/29/27/38/592292738.db2.gz FFPPFEXLONFUKL-UHFFFAOYSA-N 2 0 335.496 1.885 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2CO[C@H](C[NH3+])C2)n1 ZINC000904603597 592293190 /nfs/dbraw/zinc/29/31/90/592293190.db2.gz JEDZZOADTNAIQN-OLZOCXBDSA-N 2 0 332.404 1.508 20 0 EDADRP O=S(=O)(CC[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1 ZINC000903749925 592294433 /nfs/dbraw/zinc/29/44/33/592294433.db2.gz SLDPTWNPEVSXJP-INIZCTEOSA-N 2 0 337.489 1.750 20 0 EDADRP Oc1ccc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cc1 ZINC000903734208 592297704 /nfs/dbraw/zinc/29/77/04/592297704.db2.gz VWBSJLGYUKFLTA-SFHVURJKSA-N 2 0 331.460 1.673 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C3=CCC[NH2+]CC3)n2)ccn1 ZINC000904628535 592298184 /nfs/dbraw/zinc/29/81/84/592298184.db2.gz VQYNMBOKHDPEFP-UHFFFAOYSA-N 2 0 329.404 1.839 20 0 EDADRP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903753863 592300022 /nfs/dbraw/zinc/30/00/22/592300022.db2.gz ZGGJXJSQRXUMEO-CABCVRRESA-N 2 0 325.453 1.356 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904637705 592300637 /nfs/dbraw/zinc/30/06/37/592300637.db2.gz VHGIRKRNPBJRRL-CQSZACIVSA-N 2 0 332.448 1.862 20 0 EDADRP [NH3+][C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1ccccc1F ZINC000903761335 592308137 /nfs/dbraw/zinc/30/81/37/592308137.db2.gz QDENPLUNNGVSBY-UWWQBHOKSA-N 2 0 333.451 1.711 20 0 EDADRP CCC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000903755412 592313233 /nfs/dbraw/zinc/31/32/33/592313233.db2.gz GTZVNZJGTYXGKY-MSOLQXFVSA-N 2 0 339.524 1.578 20 0 EDADRP CC(C)CNC(=O)NC(=O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794096 592317286 /nfs/dbraw/zinc/31/72/86/592317286.db2.gz NHDRMYPGCXBTNN-UHFFFAOYSA-N 2 0 346.475 1.461 20 0 EDADRP COCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)CC1CC[NH+](C)CC1 ZINC000903775062 592318151 /nfs/dbraw/zinc/31/81/51/592318151.db2.gz GUITWFRUHBAEAV-ZWKOTPCHSA-N 3 0 325.497 1.045 20 0 EDADRP CC(C)CC(=O)N1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903780501 592320596 /nfs/dbraw/zinc/32/05/96/592320596.db2.gz HRGIJAGIXNVVGI-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908120878 592332754 /nfs/dbraw/zinc/33/27/54/592332754.db2.gz XSNVYUGNKKYJAQ-KRWDZBQOSA-N 2 0 344.459 1.867 20 0 EDADRP C(C1CCOCC1)[C@H]1COCC[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849610 592344863 /nfs/dbraw/zinc/34/48/63/592344863.db2.gz DZTIEFSUDQIQST-ZWKOTPCHSA-N 2 0 338.492 1.663 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903860710 592349423 /nfs/dbraw/zinc/34/94/23/592349423.db2.gz UKFFXPWWFZYSHO-LMMKCTJWSA-N 2 0 330.476 1.219 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903860712 592349782 /nfs/dbraw/zinc/34/97/82/592349782.db2.gz UKFFXPWWFZYSHO-YQVWRLOYSA-N 2 0 330.476 1.219 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000903892669 592366150 /nfs/dbraw/zinc/36/61/50/592366150.db2.gz LDUCBUXYBLWUEA-CVEARBPZSA-N 2 0 346.479 1.037 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@](C)(O)C(F)F)[C@H](c2ccccc2)C1 ZINC000905033146 592372085 /nfs/dbraw/zinc/37/20/85/592372085.db2.gz CIKVZYIQFJCCRJ-WMZOPIPTSA-N 2 0 341.446 1.971 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908298 592374239 /nfs/dbraw/zinc/37/42/39/592374239.db2.gz GHJACAGJZXPSKP-QZTJIDSGSA-N 2 0 327.476 1.806 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cnn1C ZINC000903913184 592376019 /nfs/dbraw/zinc/37/60/19/592376019.db2.gz ARDOIHCPMPCOFH-PBHICJAKSA-N 2 0 346.479 1.015 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000903919587 592377437 /nfs/dbraw/zinc/37/74/37/592377437.db2.gz OMNQTQGLZRDSJO-INIZCTEOSA-N 3 0 342.409 1.258 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CNC[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000903925285 592379691 /nfs/dbraw/zinc/37/96/91/592379691.db2.gz DHTWVPQJUYANAN-QFBILLFUSA-N 2 0 329.492 1.738 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC[C@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933140 592384605 /nfs/dbraw/zinc/38/46/05/592384605.db2.gz YWUAPSSJJYLLRP-MJGOQNOKSA-N 3 0 349.523 1.033 20 0 EDADRP COC(=O)[C@]12C[N@H+](Cc3cccc4c3CC[NH2+]C4)C[C@H]1COCC2 ZINC000903917458 592390260 /nfs/dbraw/zinc/39/02/60/592390260.db2.gz LYDAKBTUUPRONC-QFBILLFUSA-N 2 0 330.428 1.344 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cnn1C ZINC000903917498 592390382 /nfs/dbraw/zinc/39/03/82/592390382.db2.gz MNOXBSBZMQEGCB-KURKYZTESA-N 3 0 333.524 1.558 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000903959468 592391039 /nfs/dbraw/zinc/39/10/39/592391039.db2.gz INXUHXYUNAGLQE-NUEKZKHPSA-N 2 0 339.480 1.426 20 0 EDADRP [NH3+]CCN(Cc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903953158 592393852 /nfs/dbraw/zinc/39/38/52/592393852.db2.gz BDCCAFVYWPLHGB-OAHLLOKOSA-N 2 0 338.883 1.298 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903953176 592394450 /nfs/dbraw/zinc/39/44/50/592394450.db2.gz BRMZGCSHJURADK-QGZVFWFLSA-N 2 0 333.524 1.796 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905109189 592410156 /nfs/dbraw/zinc/41/01/56/592410156.db2.gz CPIASILEZVUYDU-MOPGFXCFSA-N 2 0 349.519 1.477 20 0 EDADRP C[C@@H](C[NH2+]CC1(O)C2CC3CC(C2)CC1C3)CN1CC[NH+](C)CC1 ZINC000905110899 592411685 /nfs/dbraw/zinc/41/16/85/592411685.db2.gz PPTZALIBOLMWSQ-ZZRKNQPCSA-N 2 0 335.536 1.647 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3C[N@@H+](C)CC[C@@H]3C2)CC1 ZINC000908290056 592433538 /nfs/dbraw/zinc/43/35/38/592433538.db2.gz CIXZIMOGJVMNIG-MSOLQXFVSA-N 2 0 336.524 1.203 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)CC1(O)CCCC1 ZINC000905176448 592455911 /nfs/dbraw/zinc/45/59/11/592455911.db2.gz ROVCPRVECNIXFS-OKZBNKHCSA-N 2 0 340.508 1.400 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)CCOCc2ccccc2)CC1(C)C ZINC000905246860 592476002 /nfs/dbraw/zinc/47/60/02/592476002.db2.gz JIONOHKTHBUBQK-IBGZPJMESA-N 2 0 349.519 1.570 20 0 EDADRP O[C@]1(CNCc2ccc3nonc3c2)CC[N@H+](Cc2ccccc2)C1 ZINC000905667870 592601924 /nfs/dbraw/zinc/60/19/24/592601924.db2.gz FJGBYGZHCYZBRR-IBGZPJMESA-N 2 0 338.411 1.949 20 0 EDADRP Cc1nc2nc(C)cc(N3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)n2n1 ZINC000905701575 592614388 /nfs/dbraw/zinc/61/43/88/592614388.db2.gz OOKNKQSRWBSLJX-IYBDPMFKSA-N 2 0 341.463 1.146 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)c2ccnn2CC[NH+](C)C)cc1 ZINC000907633843 592735112 /nfs/dbraw/zinc/73/51/12/592735112.db2.gz HQTAUIJZDQHKMD-UHFFFAOYSA-N 2 0 343.475 1.479 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000906220211 592761111 /nfs/dbraw/zinc/76/11/11/592761111.db2.gz YZRBIUNTZULEDZ-SFHVURJKSA-N 2 0 337.508 1.679 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)C(C)(C)C ZINC000906224165 592761545 /nfs/dbraw/zinc/76/15/45/592761545.db2.gz YWIFWRYAXIMARO-HNNXBMFYSA-N 2 0 335.496 1.444 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000910447048 592865060 /nfs/dbraw/zinc/86/50/60/592865060.db2.gz SOCKNPZFJWAXKU-YLJYHZDGSA-N 2 0 345.487 1.566 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000910870145 592898580 /nfs/dbraw/zinc/89/85/80/592898580.db2.gz OZPDTLGCEHMOGU-UHFFFAOYSA-N 2 0 344.459 1.889 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1)C(C)C ZINC000911230063 592970481 /nfs/dbraw/zinc/97/04/81/592970481.db2.gz MUZSEPYMWWOZMH-HZPDHXFCSA-N 2 0 340.512 1.055 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)OCC[NH2+]C2 ZINC000911664206 592973147 /nfs/dbraw/zinc/97/31/47/592973147.db2.gz JCFRWLQMKQKGJA-INIZCTEOSA-N 2 0 341.411 1.607 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911714089 592986178 /nfs/dbraw/zinc/98/61/78/592986178.db2.gz NPINYBJTMSMMMR-CMPLNLGQSA-N 2 0 329.366 1.561 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000911766053 593000405 /nfs/dbraw/zinc/00/04/05/593000405.db2.gz FEYHQGGHMBYFIB-QGZVFWFLSA-N 2 0 333.476 1.675 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000911768084 593000860 /nfs/dbraw/zinc/00/08/60/593000860.db2.gz OLQMEERCBOAMPY-GOSISDBHSA-N 2 0 327.428 1.773 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)c2ccc3c(c2)CC[C@@H]([NH3+])C(=O)N3)CC1 ZINC000911863331 593024062 /nfs/dbraw/zinc/02/40/62/593024062.db2.gz FJTUHOSFRGSXJC-MRXNPFEDSA-N 2 0 344.459 1.360 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC[NH2+]CC2(C)C)cc1 ZINC000911848407 593025975 /nfs/dbraw/zinc/02/59/75/593025975.db2.gz VAIMVZGDROOHQP-YFHOEESVSA-N 2 0 331.460 1.851 20 0 EDADRP O=C(c1cnc(CC2CC[NH2+]CC2)s1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911852630 593026720 /nfs/dbraw/zinc/02/67/20/593026720.db2.gz QTWJVUCDBSNRNR-KGLIPLIRSA-N 2 0 334.489 1.652 20 0 EDADRP CN1CCN(C(=O)C2=Cc3ccccc3O[C@@H]2C(F)F)[C@H](C[NH3+])C1 ZINC000911877693 593029429 /nfs/dbraw/zinc/02/94/29/593029429.db2.gz CDWMSHBPEKUMMW-DOMZBBRYSA-N 2 0 337.370 1.197 20 0 EDADRP CC(C)C[C@H]([NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912029015 593049713 /nfs/dbraw/zinc/04/97/13/593049713.db2.gz IIMJOODKNOLPTD-INIZCTEOSA-N 2 0 325.497 1.901 20 0 EDADRP [NH3+][C@H](Cc1cc[nH]n1)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000912014374 593051891 /nfs/dbraw/zinc/05/18/91/593051891.db2.gz JNIHUYISTKKWCQ-MRXNPFEDSA-N 2 0 333.480 1.585 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000912583321 593106200 /nfs/dbraw/zinc/10/62/00/593106200.db2.gz DHROHEIBCCGHTG-IRXDYDNUSA-N 2 0 337.508 1.602 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912587449 593106550 /nfs/dbraw/zinc/10/65/50/593106550.db2.gz RVZCFEKNYQTCGB-OAHLLOKOSA-N 2 0 327.513 1.752 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+][C@H](CO)c3ccnn3C)CC2)cc1 ZINC000839178881 593271463 /nfs/dbraw/zinc/27/14/63/593271463.db2.gz IOTJFVZTMNFUNM-GOSISDBHSA-N 2 0 343.475 1.778 20 0 EDADRP CCC[C@]1(C2CC2)NC(=O)N(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000802734009 593273895 /nfs/dbraw/zinc/27/38/95/593273895.db2.gz OAYYZGSUHJHBKC-IDHHARJASA-N 2 0 348.491 1.861 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@H](CC(C)(C)C)C1)C2=O ZINC000840150158 593297663 /nfs/dbraw/zinc/29/76/63/593297663.db2.gz QJKRQXHHNCYXPR-CQSZACIVSA-N 2 0 336.480 1.718 20 0 EDADRP CC[C@]1(C2CC2)NC(=O)N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000758236729 593397812 /nfs/dbraw/zinc/39/78/12/593397812.db2.gz FVFVFPSIUBNWBA-DHSIGJKJSA-N 2 0 334.464 1.471 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810434204 593401548 /nfs/dbraw/zinc/40/15/48/593401548.db2.gz WHBHXEHAZYSOOW-MAUKXSAKSA-N 2 0 343.487 1.768 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000817900792 593646993 /nfs/dbraw/zinc/64/69/93/593646993.db2.gz WJRMJBVWSIGOQM-GXSJLCMTSA-N 2 0 329.388 1.031 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817910671 593647855 /nfs/dbraw/zinc/64/78/55/593647855.db2.gz CXEYCVBLLQFKNN-OLZOCXBDSA-N 2 0 339.452 1.358 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817937183 593650502 /nfs/dbraw/zinc/65/05/02/593650502.db2.gz USTWTJFAJRPWCZ-INIZCTEOSA-N 2 0 346.475 1.979 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@](O)(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167226 593676823 /nfs/dbraw/zinc/67/68/23/593676823.db2.gz RPDVWFKBHKJLAQ-DAYGRLMNSA-N 2 0 339.480 1.290 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000818967368 593730983 /nfs/dbraw/zinc/73/09/83/593730983.db2.gz UKAMJBRGJOXEKH-INIZCTEOSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000819059428 593736666 /nfs/dbraw/zinc/73/66/66/593736666.db2.gz YRSZEVHWORPHGU-GUYCJALGSA-N 2 0 343.874 1.986 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@H](O)c2ccccc2)CC1 ZINC000819139402 593740948 /nfs/dbraw/zinc/74/09/48/593740948.db2.gz FJVXGKDBEUBMDR-SFHVURJKSA-N 2 0 347.503 1.936 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821583503 593869123 /nfs/dbraw/zinc/86/91/23/593869123.db2.gz XWUGUMVRNHRMOF-MRXNPFEDSA-N 2 0 330.436 1.174 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820807077 593894311 /nfs/dbraw/zinc/89/43/11/593894311.db2.gz ZICXONPZDQOIQN-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP c1[nH+]cn2ccc(-c3noc(-c4cn([C@H]5CCC[NH2+]C5)nn4)n3)cc12 ZINC000823162892 594163067 /nfs/dbraw/zinc/16/30/67/594163067.db2.gz CNDCSNCYJDBNTO-LBPRGKRZSA-N 2 0 336.359 1.567 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C[C@@H]1C ZINC000825803340 594250277 /nfs/dbraw/zinc/25/02/77/594250277.db2.gz SUWWSIAPRQIERY-TWMKSMIVSA-N 2 0 338.496 1.364 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000826080133 594326778 /nfs/dbraw/zinc/32/67/78/594326778.db2.gz SNKBYPUZXOOFAD-IYBDPMFKSA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000826678766 594552961 /nfs/dbraw/zinc/55/29/61/594552961.db2.gz ITJOBRFOROTUGZ-DLBZAZTESA-N 2 0 337.508 1.961 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000831217526 594583942 /nfs/dbraw/zinc/58/39/42/594583942.db2.gz ABXWKNWFUVLPOW-BXWFABGCSA-N 2 0 348.491 1.391 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCCCCC[NH3+] ZINC000831263170 594594680 /nfs/dbraw/zinc/59/46/80/594594680.db2.gz CYAWBFPFBVYTKS-UHFFFAOYSA-N 2 0 327.517 1.173 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000832054563 594722583 /nfs/dbraw/zinc/72/25/83/594722583.db2.gz ORPZKNOMKJBFHN-SJLPKXTDSA-N 2 0 335.423 1.095 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)cc1 ZINC000841031188 594841976 /nfs/dbraw/zinc/84/19/76/594841976.db2.gz YKEHEDZQUCERQV-UHFFFAOYSA-N 2 0 345.535 1.606 20 0 EDADRP CCCOC(=O)c1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000841040898 594843376 /nfs/dbraw/zinc/84/33/76/594843376.db2.gz BZBWKEOZRXZGBX-HNNXBMFYSA-N 2 0 334.420 1.360 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]C[C@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087241 594849030 /nfs/dbraw/zinc/84/90/30/594849030.db2.gz SAQINSSCODWILV-LJQANCHMSA-N 2 0 332.492 1.690 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)C1 ZINC000841085604 594849103 /nfs/dbraw/zinc/84/91/03/594849103.db2.gz ILKRNKRQHRUAKG-MCIONIFRSA-N 2 0 334.407 1.712 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000841726587 594944085 /nfs/dbraw/zinc/94/40/85/594944085.db2.gz SDDUOCLVGBXVEZ-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790282 594953507 /nfs/dbraw/zinc/95/35/07/594953507.db2.gz BNCFFYQQAKNNBS-SJORKVTESA-N 2 0 332.448 1.020 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846741 594964304 /nfs/dbraw/zinc/96/43/04/594964304.db2.gz MPLJXXKRFPNENP-XJKSGUPXSA-N 2 0 333.432 1.922 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841847025 594964455 /nfs/dbraw/zinc/96/44/55/594964455.db2.gz GNDNGKQBQDLUNM-MLGOLLRUSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CCC[NH2+]1 ZINC000841847877 594964682 /nfs/dbraw/zinc/96/46/82/594964682.db2.gz WWBNQRYSQNRGJC-GOSISDBHSA-N 2 0 331.416 1.676 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000841926516 594983066 /nfs/dbraw/zinc/98/30/66/594983066.db2.gz BALSHQNUECLYMI-SFHVURJKSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H]1C[N@H+](CCCCCCC[NH3+])CCN1c1nccn2cnnc12 ZINC000842476695 595115230 /nfs/dbraw/zinc/11/52/30/595115230.db2.gz SIRUGSPFCXFQIA-OAHLLOKOSA-N 2 0 331.468 1.544 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1[NH2+]CCc2ccccc21 ZINC000843454209 595115889 /nfs/dbraw/zinc/11/58/89/595115889.db2.gz NVBBWBMFIUBUKX-KRWDZBQOSA-N 2 0 325.416 1.633 20 0 EDADRP CC[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000843494034 595129830 /nfs/dbraw/zinc/12/98/30/595129830.db2.gz XNRDGXLGNRIEHL-RTBURBONSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@H](NC(=O)CO[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843494073 595129951 /nfs/dbraw/zinc/12/99/51/595129951.db2.gz IFWIYPCRSVDKRG-YTQUADARSA-N 2 0 345.487 1.782 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844182679 595294539 /nfs/dbraw/zinc/29/45/39/595294539.db2.gz NNLQVFDVBWXYSU-GOSISDBHSA-N 2 0 349.475 1.054 20 0 EDADRP Cc1cc(NC(=O)CN2CC[NH+](CCCCCCC[NH3+])CC2)no1 ZINC000844221985 595306807 /nfs/dbraw/zinc/30/68/07/595306807.db2.gz PTAJMUJEHZRFAG-UHFFFAOYSA-N 2 0 337.468 1.448 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000848896254 595464148 /nfs/dbraw/zinc/46/41/48/595464148.db2.gz WJORGVZNZOGTID-YVACAVLKSA-N 2 0 347.459 1.724 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1c(C)cccc1C ZINC000849066386 595476865 /nfs/dbraw/zinc/47/68/65/595476865.db2.gz DPEMMTAOXIBPLX-IRXDYDNUSA-N 2 0 348.491 1.641 20 0 EDADRP COC[C@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)OC ZINC000849079000 595479152 /nfs/dbraw/zinc/47/91/52/595479152.db2.gz KLBCUMSKEAZAJV-KRWDZBQOSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000849094313 595480712 /nfs/dbraw/zinc/48/07/12/595480712.db2.gz FDXQNSPSGXXZTC-WMZOPIPTSA-N 2 0 330.476 1.796 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCC2)[C@@H](c2cnn(C)c2)C1 ZINC000849486027 595548096 /nfs/dbraw/zinc/54/80/96/595548096.db2.gz DOMKBQWYWKPQQF-QZTJIDSGSA-N 2 0 347.507 1.446 20 0 EDADRP CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)C(C)C ZINC000849541672 595560785 /nfs/dbraw/zinc/56/07/85/595560785.db2.gz QMJQPUSSKNZNAC-IAGOWNOFSA-N 2 0 335.496 1.302 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)=NO1 ZINC000852859190 595580869 /nfs/dbraw/zinc/58/08/69/595580869.db2.gz OKCMDIGFHZTQBB-DOTOQJQBSA-N 2 0 330.432 1.433 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000852859074 595581161 /nfs/dbraw/zinc/58/11/61/595581161.db2.gz NUPUNHQCNDHECT-HZPDHXFCSA-N 2 0 332.448 1.159 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@H](C)C1 ZINC000849594336 595585409 /nfs/dbraw/zinc/58/54/09/595585409.db2.gz WWOMLOLJKWFASG-OIISXLGYSA-N 2 0 333.480 1.008 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849598340 595588211 /nfs/dbraw/zinc/58/82/11/595588211.db2.gz ZQBXXIKKNGSHFU-NJAFHUGGSA-N 2 0 349.523 1.548 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852872658 595591538 /nfs/dbraw/zinc/59/15/38/595591538.db2.gz PTHIEVNNKMFTJW-XJKSGUPXSA-N 2 0 346.431 1.449 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856584915 596023089 /nfs/dbraw/zinc/02/30/89/596023089.db2.gz URFOFUXPVJHEPT-AOMKIAJQSA-N 2 0 325.478 1.365 20 0 EDADRP CCCCCC[C@](O)(C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078053 596036278 /nfs/dbraw/zinc/03/62/78/596036278.db2.gz JTAJWPCVDLSROZ-MSOLQXFVSA-N 2 0 326.481 1.889 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000861605573 596045135 /nfs/dbraw/zinc/04/51/35/596045135.db2.gz FFFPYPPLPMXCNX-OAHLLOKOSA-N 2 0 326.485 1.258 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000861604938 596045514 /nfs/dbraw/zinc/04/55/14/596045514.db2.gz UWPQXPHQKBHGKM-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866665253 596284493 /nfs/dbraw/zinc/28/44/93/596284493.db2.gz AQDXQVZVRSPJMW-OALUTQOASA-N 2 0 344.503 1.716 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOc3cc(N)ccc3C2)CC1 ZINC000866690213 596295857 /nfs/dbraw/zinc/29/58/57/596295857.db2.gz WRKBHMBIYHETBN-UHFFFAOYSA-N 2 0 332.492 1.879 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]CCC1(C)C)c1ccccc1 ZINC000866699995 596299340 /nfs/dbraw/zinc/29/93/40/596299340.db2.gz YIFLRPYPXONUOB-KRWDZBQOSA-N 2 0 332.492 1.479 20 0 EDADRP COc1ccccc1CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711742 596305239 /nfs/dbraw/zinc/30/52/39/596305239.db2.gz MSCDPWOZAWVOBI-NUJGCVRESA-N 2 0 345.443 1.495 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870871039 596384628 /nfs/dbraw/zinc/38/46/28/596384628.db2.gz GUDFHGUTRQLOQP-GWCFXTLKSA-N 2 0 326.238 1.517 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870934150 596411185 /nfs/dbraw/zinc/41/11/85/596411185.db2.gz GVZAYAZHIPPWNX-GXFFZTMASA-N 2 0 326.238 1.646 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870940453 596413474 /nfs/dbraw/zinc/41/34/74/596413474.db2.gz LEVOCPJUUTVOSW-OASPWFOLSA-N 2 0 326.238 1.563 20 0 EDADRP CN(C)C1(CS(=O)(=O)N2CC3(CN(Cc4ccccc4)C3)C2)CC1 ZINC000867580927 596441625 /nfs/dbraw/zinc/44/16/25/596441625.db2.gz GOSGMAUBYPTEBY-UHFFFAOYSA-N 2 0 349.500 1.228 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000871285173 596523968 /nfs/dbraw/zinc/52/39/68/596523968.db2.gz POGMKYHJEIZRGO-GOSISDBHSA-N 2 0 333.476 1.654 20 0 EDADRP CCCn1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)nn1 ZINC000865477136 596585779 /nfs/dbraw/zinc/58/57/79/596585779.db2.gz NCORKOAPXVRHBL-UHFFFAOYSA-N 2 0 334.512 1.728 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCCc2ccsc2)CC1 ZINC000863549280 596614625 /nfs/dbraw/zinc/61/46/25/596614625.db2.gz GXQQWBMFIWRTJI-JKSUJKDBSA-N 2 0 335.473 1.938 20 0 EDADRP CC(C)(C)c1n[nH]cc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863641883 596640781 /nfs/dbraw/zinc/64/07/81/596640781.db2.gz FRESMBZHZMASAB-CABCVRRESA-N 2 0 347.463 1.464 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccnc2)C[C@H]1C[NH+](C)C ZINC000870018050 596710205 /nfs/dbraw/zinc/71/02/05/596710205.db2.gz UZPLSNOJXRVFEJ-ZJPYXAASSA-N 2 0 330.476 1.383 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3cnccc3c2)C[C@H]1C[NH+](C)C ZINC000870019166 596710702 /nfs/dbraw/zinc/71/07/02/596710702.db2.gz RZIVVBXDWQMPDR-IAGOWNOFSA-N 2 0 341.459 1.441 20 0 EDADRP C[C@H](Oc1cccnc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021907 596712560 /nfs/dbraw/zinc/71/25/60/596712560.db2.gz VCOPVYDXRBXXAA-ARFHVFGLSA-N 2 0 334.464 1.047 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncc3n2CCCC3)C[C@H]1C[NH+](C)C ZINC000870024370 596713928 /nfs/dbraw/zinc/71/39/28/596713928.db2.gz AAXZFRJNZQCVCE-HUUCEWRRSA-N 2 0 333.480 1.031 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn(C(F)F)c2)C[C@H]1C[NH+](C)C ZINC000870025298 596714640 /nfs/dbraw/zinc/71/46/40/596714640.db2.gz QGRJHBIJOAUHJK-CHWSQXEVSA-N 2 0 329.395 1.090 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225210 596734907 /nfs/dbraw/zinc/73/49/07/596734907.db2.gz OQLHOIDKIYYEFN-UHOFOFEASA-N 2 0 332.448 1.286 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)CC1 ZINC000868282170 596763015 /nfs/dbraw/zinc/76/30/15/596763015.db2.gz UBQCENNSCGVXAZ-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H](CNC(=O)N1CCN(C)c2ncccc2C1)C[NH+]1CCCC1 ZINC000868358333 596800200 /nfs/dbraw/zinc/80/02/00/596800200.db2.gz PNJVDCBZPXPRBK-OAHLLOKOSA-N 2 0 331.464 1.775 20 0 EDADRP CC(C)[NH+]1CCC(CC[NH2+]CC2(O)CCS(=O)(=O)CC2)CC1 ZINC000872223003 596842295 /nfs/dbraw/zinc/84/22/95/596842295.db2.gz LJWNJSBMOUBBQE-UHFFFAOYSA-N 2 0 332.510 1.026 20 0 EDADRP COc1ccccc1/C=C\C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255966 596856745 /nfs/dbraw/zinc/85/67/45/596856745.db2.gz PILQBFLCFYKNBL-INEJNAMHSA-N 2 0 343.427 1.575 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@]2(C)CC2(F)F)C[C@H]1C[NH+](C)C ZINC000875741220 596968645 /nfs/dbraw/zinc/96/86/45/596968645.db2.gz YPIXUFFXFKXDRJ-IIAWOOMASA-N 2 0 346.466 1.803 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000875970877 597052213 /nfs/dbraw/zinc/05/22/13/597052213.db2.gz IDRABBBZMUTWLF-CVEARBPZSA-N 2 0 339.484 1.209 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)CC1 ZINC000874432004 597075983 /nfs/dbraw/zinc/07/59/83/597075983.db2.gz FKLPCUPDRPODIS-YPMHNXCESA-N 2 0 336.402 1.638 20 0 EDADRP CCOc1cccc(F)c1CNCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000873044050 597169334 /nfs/dbraw/zinc/16/93/34/597169334.db2.gz AEFXOSDCHOBHFN-AWEZNQCLSA-N 2 0 337.439 1.901 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000873111387 597199801 /nfs/dbraw/zinc/19/98/01/597199801.db2.gz MSYHWTJTJIHGPW-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH+](CC)CCNC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000874978223 597228861 /nfs/dbraw/zinc/22/88/61/597228861.db2.gz QLMSSTWCVFVBPI-UHFFFAOYSA-N 2 0 326.485 1.082 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000876521108 597229489 /nfs/dbraw/zinc/22/94/89/597229489.db2.gz HHTXRJPDQRQGCS-DUVNUKRYSA-N 2 0 345.443 1.907 20 0 EDADRP Nc1cnc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000873213849 597229462 /nfs/dbraw/zinc/22/94/62/597229462.db2.gz RPAYCCYPURBXJZ-UHFFFAOYSA-N 2 0 326.448 1.142 20 0 EDADRP CCOC(=O)CC1([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CCOCC1 ZINC000873212094 597229857 /nfs/dbraw/zinc/22/98/57/597229857.db2.gz HQMPVTHTBQWZEE-UHFFFAOYSA-N 2 0 338.473 1.986 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])C1 ZINC000873248966 597240221 /nfs/dbraw/zinc/24/02/21/597240221.db2.gz JVVVPGKRXPHRJA-VBSBHUPXSA-N 2 0 347.503 1.538 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000876711550 597298433 /nfs/dbraw/zinc/29/84/33/597298433.db2.gz ZUVWFHPTCDXGGG-SZMVWBNQSA-N 2 0 349.450 1.896 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1(F)F ZINC000876732555 597311205 /nfs/dbraw/zinc/31/12/05/597311205.db2.gz ZEAVRYZAGOMHSI-HUUCEWRRSA-N 2 0 329.435 1.941 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000876739262 597315794 /nfs/dbraw/zinc/31/57/94/597315794.db2.gz BUJAGMMSGYLGCA-IAGOWNOFSA-N 2 0 347.507 1.966 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775289 597335850 /nfs/dbraw/zinc/33/58/50/597335850.db2.gz SVUASSIYEFBPFI-JKSUJKDBSA-N 2 0 337.508 1.759 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000876794709 597343026 /nfs/dbraw/zinc/34/30/26/597343026.db2.gz ZWQQVOIJFQFBNV-OAHLLOKOSA-N 2 0 340.431 1.409 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000876856724 597360857 /nfs/dbraw/zinc/36/08/57/597360857.db2.gz SBJPVMXUOCCHIS-OLZOCXBDSA-N 2 0 327.350 1.964 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000876884694 597369011 /nfs/dbraw/zinc/36/90/11/597369011.db2.gz RUBAVFFKJSCUHX-AQFXKWCLSA-N 2 0 345.491 1.863 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876897141 597375478 /nfs/dbraw/zinc/37/54/78/597375478.db2.gz QBQYZMYKTPBQTB-FGTMMUONSA-N 2 0 345.487 1.767 20 0 EDADRP CCSCC[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875328808 597386169 /nfs/dbraw/zinc/38/61/69/597386169.db2.gz LEQBZHAFGFFALZ-BZUAXINKSA-N 2 0 344.569 1.899 20 0 EDADRP CO[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875331205 597387001 /nfs/dbraw/zinc/38/70/01/597387001.db2.gz TVTZMWXMWJJZNE-BZUAXINKSA-N 2 0 328.501 1.038 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)C1 ZINC000876933359 597390043 /nfs/dbraw/zinc/39/00/43/597390043.db2.gz NEPTXNZFYAKSJM-OAHLLOKOSA-N 2 0 339.505 1.936 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)cc1 ZINC000876964589 597399319 /nfs/dbraw/zinc/39/93/19/597399319.db2.gz KNHGZZQFKFPCQI-PAORNUOZSA-N 2 0 343.471 1.813 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877003958 597409330 /nfs/dbraw/zinc/40/93/30/597409330.db2.gz DMEXXNNHYKJGLX-CYBMUJFWSA-N 2 0 334.489 1.933 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000877023408 597414800 /nfs/dbraw/zinc/41/48/00/597414800.db2.gz QAJQSRLABBDDCR-YNEHKIRRSA-N 2 0 326.238 1.706 20 0 EDADRP COc1cc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)ccn1 ZINC000877089257 597429374 /nfs/dbraw/zinc/42/93/74/597429374.db2.gz LREGVBAEIXQOJQ-WBAXXEDZSA-N 2 0 333.476 1.989 20 0 EDADRP CCc1noc(CCCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000877199540 597459970 /nfs/dbraw/zinc/45/99/70/597459970.db2.gz VNTBQQCRNVBOAW-UHFFFAOYSA-N 2 0 344.419 1.398 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000877371438 597503777 /nfs/dbraw/zinc/50/37/77/597503777.db2.gz QNMDFXUCZSDGIG-PYJNHQTQSA-N 2 0 329.366 1.918 20 0 EDADRP CC(C)(C)OC(=O)NC/C=C/C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877490534 597524157 /nfs/dbraw/zinc/52/41/57/597524157.db2.gz YLMYJPNWWJHWFM-VOTSOKGWSA-N 2 0 341.496 1.892 20 0 EDADRP COCC[N@@H+](Cc1ccc(OCC(N)=O)cc1)CC1CC[NH+](C)CC1 ZINC000877665121 597545913 /nfs/dbraw/zinc/54/59/13/597545913.db2.gz HXCPXENZWIMOBC-UHFFFAOYSA-N 2 0 349.475 1.341 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H]1CCC2(CCOCC2)O1 ZINC000878288016 597592720 /nfs/dbraw/zinc/59/27/20/597592720.db2.gz LUQOZVNRMHZAAD-TVFCKZIOSA-N 2 0 338.492 1.898 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)CC2(O)CCCC2)[C@@H](C)C1 ZINC000878447073 597602618 /nfs/dbraw/zinc/60/26/18/597602618.db2.gz KWTKTYXXTPSYGH-KSZLIROESA-N 2 0 342.524 1.769 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2c3c(nn2C)CCSC3)CC1 ZINC000883043217 597629116 /nfs/dbraw/zinc/62/91/16/597629116.db2.gz AGZQTHKLCGCYHU-UHFFFAOYSA-N 2 0 338.521 1.534 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881474118 597631072 /nfs/dbraw/zinc/63/10/72/597631072.db2.gz HBORHOAEQQFDEI-HOCLYGCPSA-N 2 0 325.497 1.913 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000883054836 597634173 /nfs/dbraw/zinc/63/41/73/597634173.db2.gz QHEMEXROIZUDDU-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883114606 597654523 /nfs/dbraw/zinc/65/45/23/597654523.db2.gz APIKZMYMUVHMAS-WBVHZDCISA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCN1c1cc[nH+]cc1 ZINC000883149370 597668320 /nfs/dbraw/zinc/66/83/20/597668320.db2.gz YHWQHIWBUYPOCB-BPQIPLTHSA-N 2 0 343.475 1.929 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CCCOC1 ZINC000883208143 597685827 /nfs/dbraw/zinc/68/58/27/597685827.db2.gz ZZXMUPAWTDPEQK-SPUZQDLCSA-N 2 0 326.481 1.395 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H](C)C1 ZINC000883300248 597705961 /nfs/dbraw/zinc/70/59/61/597705961.db2.gz RPJSUASKZVOWOB-UONOGXRCSA-N 2 0 331.526 1.557 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000878807803 597718608 /nfs/dbraw/zinc/71/86/08/597718608.db2.gz HWVFAHDSOFRRTA-UHFFFAOYSA-N 2 0 348.495 1.784 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416739 597739176 /nfs/dbraw/zinc/73/91/76/597739176.db2.gz CRXGAGAEBGPJDZ-KZNAEPCWSA-N 2 0 331.460 1.694 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3CCC4(CCC4)O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000883433787 597744881 /nfs/dbraw/zinc/74/48/81/597744881.db2.gz YXDXLYMVTIMTIL-GVDBMIGSSA-N 2 0 348.491 1.308 20 0 EDADRP CC1(C)C[C@@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C(C)(C)O1 ZINC000883439104 597747291 /nfs/dbraw/zinc/74/72/91/597747291.db2.gz IZBXSAJKQCLUOX-XQLPTFJDSA-N 2 0 337.464 1.447 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883585693 597813434 /nfs/dbraw/zinc/81/34/34/597813434.db2.gz VHFZXXDTEHPMOL-WMLDXEAASA-N 2 0 331.464 1.700 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883585694 597814242 /nfs/dbraw/zinc/81/42/42/597814242.db2.gz VHFZXXDTEHPMOL-YOEHRIQHSA-N 2 0 331.464 1.700 20 0 EDADRP COc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000880068433 597829342 /nfs/dbraw/zinc/82/93/42/597829342.db2.gz WQOKZKUMAGWFQR-ZIAGYGMSSA-N 2 0 335.452 1.293 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)COC1CCOCC1)CC2 ZINC000879248989 597864042 /nfs/dbraw/zinc/86/40/42/597864042.db2.gz AYZBQMXRXWDBQV-INIZCTEOSA-N 2 0 326.481 1.351 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000880250423 597882982 /nfs/dbraw/zinc/88/29/82/597882982.db2.gz JUXSBMHOIJDHOD-IEBWSBKVSA-N 2 0 335.492 1.304 20 0 EDADRP COC(=O)C[C@@](C)([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000879441276 597918123 /nfs/dbraw/zinc/91/81/23/597918123.db2.gz OXNNQNZBCYSBMU-GOSISDBHSA-N 2 0 339.480 1.297 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCC1(F)F ZINC000883928131 597944561 /nfs/dbraw/zinc/94/45/61/597944561.db2.gz WZLSTUIVVBXCAK-CQSZACIVSA-N 2 0 334.455 1.947 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882505809 597980897 /nfs/dbraw/zinc/98/08/97/597980897.db2.gz OASUYIWCARBVBU-KRWDZBQOSA-N 2 0 337.508 1.866 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000884179088 598016471 /nfs/dbraw/zinc/01/64/71/598016471.db2.gz DTTSVCRZPXJEKM-JKSUJKDBSA-N 2 0 339.867 1.957 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884185643 598018500 /nfs/dbraw/zinc/01/85/00/598018500.db2.gz BPEWVAJXPLDDCU-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000884396930 598092624 /nfs/dbraw/zinc/09/26/24/598092624.db2.gz QZEZFPZVQTVUSS-DUZACMNTSA-N 2 0 343.475 1.927 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000884446658 598107964 /nfs/dbraw/zinc/10/79/64/598107964.db2.gz WSDKZJJOVZYPFV-HOTGVXAUSA-N 2 0 325.497 1.613 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000914190499 695266495 /nfs/dbraw/zinc/26/64/95/695266495.db2.gz SUVWCWBGJOEVPN-HDMKZQKVSA-N 2 0 330.476 1.825 20 0 EDADRP CC[C@@H](CN1CCOCC1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000914243936 695303430 /nfs/dbraw/zinc/30/34/30/695303430.db2.gz XEUBAQZJXKJQFB-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000914338373 695369664 /nfs/dbraw/zinc/36/96/64/695369664.db2.gz XCNIOEPPUXFWEC-OAGGEKHMSA-N 2 0 340.537 1.597 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ncccn3)[C@H]2C1 ZINC000992904974 695440713 /nfs/dbraw/zinc/44/07/13/695440713.db2.gz IHUHYZCEGOUURC-ULQDDVLXSA-N 2 0 343.475 1.289 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ncccn2)C1)C12CCC[NH+]1CCC2 ZINC000995018134 700006120 /nfs/dbraw/zinc/00/61/20/700006120.db2.gz YREUONKRDIWBCK-HZPDHXFCSA-N 2 0 343.475 1.480 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC001031257920 696064983 /nfs/dbraw/zinc/06/49/83/696064983.db2.gz AVPPQTCPHMMTNM-IAGOWNOFSA-N 2 0 341.499 1.934 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994132649 696530344 /nfs/dbraw/zinc/53/03/44/696530344.db2.gz KHVQETZIZHCKGX-RDJZCZTQSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000916874166 696803853 /nfs/dbraw/zinc/80/38/53/696803853.db2.gz QYNQDYUCLDSIFH-GJZGRUSLSA-N 2 0 326.510 1.207 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)[C@@H]1C ZINC000994425954 696848200 /nfs/dbraw/zinc/84/82/00/696848200.db2.gz SIAFMLDZNQAILL-CZUORRHYSA-N 2 0 330.436 1.094 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008696 700110722 /nfs/dbraw/zinc/11/07/22/700110722.db2.gz YNLCFFASENSMKQ-INIZCTEOSA-N 2 0 334.464 1.802 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000917897845 697099653 /nfs/dbraw/zinc/09/96/53/697099653.db2.gz DNJORLPJZFIJNQ-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP COC(C)(C)[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000918906858 697222416 /nfs/dbraw/zinc/22/24/16/697222416.db2.gz RTRQCEBXOMFPHX-ZIAGYGMSSA-N 2 0 326.485 1.268 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001031585055 697280578 /nfs/dbraw/zinc/28/05/78/697280578.db2.gz PBGXQFPNDDQMEZ-MSOLQXFVSA-N 2 0 331.435 1.955 20 0 EDADRP O=C(CC1CCN(C[C@H](O)C[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000920210987 697408235 /nfs/dbraw/zinc/40/82/35/697408235.db2.gz XOEUVSDQBNTOCJ-GOSISDBHSA-N 2 0 337.508 1.604 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000920506703 697440859 /nfs/dbraw/zinc/44/08/59/697440859.db2.gz KROSJRDOFORVEW-HZPDHXFCSA-N 2 0 340.537 1.740 20 0 EDADRP CCO[C@H](CNC(=O)NCCC1CC[NH+](CC)CC1)C[NH+](C)C ZINC000920521268 697442886 /nfs/dbraw/zinc/44/28/86/697442886.db2.gz RRBPJIUCICWNKL-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP O=C(NCC1CN(Cc2ccc(F)cn2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668272 697459661 /nfs/dbraw/zinc/45/96/61/697459661.db2.gz BZTFLFRLZRQWKB-YJBOKZPZSA-N 2 0 346.450 1.643 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675527 697485367 /nfs/dbraw/zinc/48/53/67/697485367.db2.gz KUUNGIHSUHPHKH-GOSISDBHSA-N 2 0 345.462 1.758 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC001031688268 697519956 /nfs/dbraw/zinc/51/99/56/697519956.db2.gz BYKAGXVVYKVJQU-MOPGFXCFSA-N 2 0 343.471 1.406 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689573 697531204 /nfs/dbraw/zinc/53/12/04/697531204.db2.gz WETFGMGPBZYBBQ-OALUTQOASA-N 2 0 349.519 1.868 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426737 697603622 /nfs/dbraw/zinc/60/36/22/697603622.db2.gz JSFJOTCLSCHAPJ-JKSUJKDBSA-N 2 0 328.501 1.230 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000921435923 697611688 /nfs/dbraw/zinc/61/16/88/697611688.db2.gz KPXPYGOLYKCFID-XOKHGSTOSA-N 2 0 336.480 1.022 20 0 EDADRP C[C@@H]1CN(Cc2ccon2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285414 698042995 /nfs/dbraw/zinc/04/29/95/698042995.db2.gz ADHBWGGSUVMBMY-RHSMWYFYSA-N 2 0 334.464 1.733 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000940116821 700248904 /nfs/dbraw/zinc/24/89/04/700248904.db2.gz INJAVJPQYTVDDR-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000940117449 700250015 /nfs/dbraw/zinc/25/00/15/700250015.db2.gz SOJJPVIYFKPUAV-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000940120819 700254196 /nfs/dbraw/zinc/25/41/96/700254196.db2.gz UDLZURCTPJTAQI-CZUORRHYSA-N 2 0 334.464 1.794 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCn3cccn3)C[C@@H]2C)CC1 ZINC000943755912 698829817 /nfs/dbraw/zinc/82/98/17/698829817.db2.gz IYIPLALZWOTIFC-ZWKOTPCHSA-N 2 0 347.507 1.442 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](C)OC)C1 ZINC001032119266 699002199 /nfs/dbraw/zinc/00/21/99/699002199.db2.gz KQSCEAWFHYZHRO-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502069 701561491 /nfs/dbraw/zinc/56/14/91/701561491.db2.gz IYKNMCLJAIBENE-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031771815 699093744 /nfs/dbraw/zinc/09/37/44/699093744.db2.gz JNUFVFRUZLHICI-GOSISDBHSA-N 2 0 349.450 1.737 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054507 699114840 /nfs/dbraw/zinc/11/48/40/699114840.db2.gz KDWXZZBYRAVQBO-RHSMWYFYSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939054380 699114961 /nfs/dbraw/zinc/11/49/61/699114961.db2.gz IPSBAZKKTMGKAV-MLGOLLRUSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c(C)n1 ZINC000939055371 699116187 /nfs/dbraw/zinc/11/61/87/699116187.db2.gz XSCIZHAIRGMUFE-IFXJQAMLSA-N 2 0 344.503 1.977 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)ccc2c[nH+]cn21 ZINC001031800658 699320381 /nfs/dbraw/zinc/32/03/81/699320381.db2.gz YFCQQGJHKVHTGY-OAHLLOKOSA-N 2 0 342.443 1.731 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](CCOC3CCC3)C2)ccc2c[nH+]cn21 ZINC001031799661 699329111 /nfs/dbraw/zinc/32/91/11/699329111.db2.gz CEXBDAYNCLDEQD-UHFFFAOYSA-N 2 0 342.443 1.873 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031802439 699364065 /nfs/dbraw/zinc/36/40/65/699364065.db2.gz QRNOHHGPIYOWHJ-AEFFLSMTSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939259522 699437589 /nfs/dbraw/zinc/43/75/89/699437589.db2.gz VPOOFTLQZNFTCT-CXAGYDPISA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)cs1 ZINC000939543011 699683741 /nfs/dbraw/zinc/68/37/41/699683741.db2.gz BCMFXCBRLHWSTJ-CJNGLKHVSA-N 2 0 348.516 1.526 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)n1 ZINC000939552491 699702519 /nfs/dbraw/zinc/70/25/19/699702519.db2.gz ZGVPVMVBLGVOJR-DOTOQJQBSA-N 2 0 345.491 1.496 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939552507 699702544 /nfs/dbraw/zinc/70/25/44/699702544.db2.gz ZOFDPVWYONIEEL-PBHICJAKSA-N 2 0 345.491 1.032 20 0 EDADRP Cc1cncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC000995166118 701619749 /nfs/dbraw/zinc/61/97/49/701619749.db2.gz GDZCZRCDCYYNAT-SJLPKXTDSA-N 2 0 342.487 1.860 20 0 EDADRP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939753571 699903010 /nfs/dbraw/zinc/90/30/10/699903010.db2.gz HDTLJEVFUJNXNN-HIFRSBDPSA-N 2 0 336.505 1.526 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)cn1 ZINC000939809129 699957638 /nfs/dbraw/zinc/95/76/38/699957638.db2.gz HJKNAVZIJAMHML-QAPCUYQASA-N 2 0 345.491 1.598 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940143440 700272586 /nfs/dbraw/zinc/27/25/86/700272586.db2.gz VYQUIYAVZKQSJD-MRXNPFEDSA-N 2 0 348.495 1.160 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1)C1CC1 ZINC000940148604 700281112 /nfs/dbraw/zinc/28/11/12/700281112.db2.gz ANUFQXLLWCTMHY-HNNXBMFYSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nn1C ZINC000940154113 700284186 /nfs/dbraw/zinc/28/41/86/700284186.db2.gz QLOJUAJYPDSQFS-UHFFFAOYSA-N 2 0 347.507 1.684 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940154459 700284822 /nfs/dbraw/zinc/28/48/22/700284822.db2.gz YFPSZDSGYYWJCR-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940159086 700291439 /nfs/dbraw/zinc/29/14/39/700291439.db2.gz AJXIIFHJFDCLIR-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000940150587 700300292 /nfs/dbraw/zinc/30/02/92/700300292.db2.gz YQTWJZXACFDEHC-KRWDZBQOSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)co1 ZINC000995167341 701635599 /nfs/dbraw/zinc/63/55/99/701635599.db2.gz JEQOVDULCLCQPZ-CABCVRRESA-N 2 0 332.448 1.453 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000940248265 700413007 /nfs/dbraw/zinc/41/30/07/700413007.db2.gz WSBJTQGEBCOZPL-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000995055724 700423226 /nfs/dbraw/zinc/42/32/26/700423226.db2.gz PQQROMBQIQFIPL-CABCVRRESA-N 2 0 348.495 1.064 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940328091 700505977 /nfs/dbraw/zinc/50/59/77/700505977.db2.gz FNEBXNKJYQLURO-PBHICJAKSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000940328344 700506278 /nfs/dbraw/zinc/50/62/78/700506278.db2.gz HJUQCTKHNNSZRA-OAHLLOKOSA-N 2 0 345.491 1.740 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC000940335117 700515480 /nfs/dbraw/zinc/51/54/80/700515480.db2.gz UHKFQCXXLVWZKC-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC000940427236 700621319 /nfs/dbraw/zinc/62/13/19/700621319.db2.gz DQSOAWLKICHGBG-HOTGVXAUSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nn1C ZINC000940427529 700621466 /nfs/dbraw/zinc/62/14/66/700621466.db2.gz IEHXAHVMTLFTED-UHFFFAOYSA-N 2 0 345.491 1.295 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cncc(F)c3)C2)CC1 ZINC000995076661 700651501 /nfs/dbraw/zinc/65/15/01/700651501.db2.gz DYLQGKALVGWASN-KDOFPFPSSA-N 2 0 348.466 1.937 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nonc2C)CC1 ZINC000940471958 700657146 /nfs/dbraw/zinc/65/71/46/700657146.db2.gz CYGURSDFHJDJIC-MRXNPFEDSA-N 2 0 349.479 1.723 20 0 EDADRP CC(C)c1noc(CNC2(C)CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000940482750 700670757 /nfs/dbraw/zinc/67/07/57/700670757.db2.gz OSYDEBZQZGDXSW-UHFFFAOYSA-N 2 0 346.435 1.560 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995082022 700700537 /nfs/dbraw/zinc/70/05/37/700700537.db2.gz XAAMHRHZUSDMGB-QAPCUYQASA-N 2 0 345.491 1.501 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081411 700711467 /nfs/dbraw/zinc/71/14/67/700711467.db2.gz UZRWMIKRAWYBAS-GOEBONIOSA-N 2 0 333.480 1.136 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940750433 700888953 /nfs/dbraw/zinc/88/89/53/700888953.db2.gz HDCWVMAYULIUSQ-MRXNPFEDSA-N 2 0 335.496 1.683 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940800918 700906409 /nfs/dbraw/zinc/90/64/09/700906409.db2.gz KCTVYZSWDLIMTQ-IAGOWNOFSA-N 2 0 339.524 1.848 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2csnn2)C1)C12CC[NH+](CC1)C2 ZINC000995170155 701676268 /nfs/dbraw/zinc/67/62/68/701676268.db2.gz WGCOUXUXQLFCRN-OLZOCXBDSA-N 2 0 335.477 1.008 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001031919193 701043979 /nfs/dbraw/zinc/04/39/79/701043979.db2.gz OIIXYUJDAHPGOQ-GOSISDBHSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)CCO1 ZINC001031932255 701384887 /nfs/dbraw/zinc/38/48/87/701384887.db2.gz ZKKYQZGPIFBTDS-HUUCEWRRSA-N 2 0 349.475 1.818 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000999171206 706601413 /nfs/dbraw/zinc/60/14/13/706601413.db2.gz URQFZXULABFZDJ-ROUUACIJSA-N 2 0 328.460 1.504 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3C)CC2)C1 ZINC000941464142 701547685 /nfs/dbraw/zinc/54/76/85/701547685.db2.gz FMJBUCMTJHMORF-UHFFFAOYSA-N 2 0 341.459 1.495 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001032129104 701810078 /nfs/dbraw/zinc/81/00/78/701810078.db2.gz QQFYVPPYVLIRLT-ROUUACIJSA-N 2 0 347.507 1.131 20 0 EDADRP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032131916 701857685 /nfs/dbraw/zinc/85/76/85/701857685.db2.gz WLCNQLWJZOWLFQ-OAHLLOKOSA-N 2 0 343.471 1.900 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031976807 701929307 /nfs/dbraw/zinc/92/93/07/701929307.db2.gz SSINNEOWGFRUBW-MAUKXSAKSA-N 2 0 345.487 1.749 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031978381 702083479 /nfs/dbraw/zinc/08/34/79/702083479.db2.gz SGDBAOXGXXTLBV-RDTXWAMCSA-N 2 0 331.460 1.441 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995822108 702091331 /nfs/dbraw/zinc/09/13/31/702091331.db2.gz JQWSAWKJAFZYEL-SJORKVTESA-N 2 0 346.475 1.651 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001031978756 702106123 /nfs/dbraw/zinc/10/61/23/702106123.db2.gz WNJNECVTVVSPEV-KBXCAEBGSA-N 2 0 331.460 1.441 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]([NH2+]Cc3ccn(C)n3)C(C)(C)C2)CC[N@@H+]1C ZINC000995844119 702125710 /nfs/dbraw/zinc/12/57/10/702125710.db2.gz ZTGORTKWFKGVBI-GVDBMIGSSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899639 702205300 /nfs/dbraw/zinc/20/53/00/702205300.db2.gz XAERYAWAJYPXRV-JKSUJKDBSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3ccns3)C(C)(C)C2)CCC1 ZINC000995884650 702218581 /nfs/dbraw/zinc/21/85/81/702218581.db2.gz GYSCKHXQNJBPAW-AWEZNQCLSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995889544 702229827 /nfs/dbraw/zinc/22/98/27/702229827.db2.gz WAIRQJXVLDUPOH-INIZCTEOSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C(C)(C)C1)[NH+](C)C ZINC000995944228 702288987 /nfs/dbraw/zinc/28/89/87/702288987.db2.gz AXSAKKPRJHBOQT-KURKYZTESA-N 2 0 347.503 1.887 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccns2)C(C)(C)C1)[NH+](C)C ZINC000995944362 702290027 /nfs/dbraw/zinc/29/00/27/702290027.db2.gz BLASDXPXWRHBRP-CABCVRRESA-N 2 0 338.521 1.852 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1)[NH+](C)C ZINC000995946103 702292470 /nfs/dbraw/zinc/29/24/70/702292470.db2.gz GFADQNNRMFGCGH-CVEARBPZSA-N 2 0 348.491 1.052 20 0 EDADRP CCn1cc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000999222781 706656446 /nfs/dbraw/zinc/65/64/46/706656446.db2.gz KJAXZNGMWMYQTF-UHFFFAOYSA-N 2 0 348.495 1.251 20 0 EDADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942057512 702507247 /nfs/dbraw/zinc/50/72/47/702507247.db2.gz NQFAXNVEYIYFMS-DLBZAZTESA-N 2 0 347.507 1.851 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CC[C@@H]3CCCO3)C(C)(C)C2)CC1 ZINC000996221964 702632638 /nfs/dbraw/zinc/63/26/38/702632638.db2.gz LKKLBKZGNGSUNW-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC000942205415 702710592 /nfs/dbraw/zinc/71/05/92/702710592.db2.gz SBRIDBNMNMZKPI-DYVFJYSZSA-N 2 0 330.432 1.729 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)Cc3cnc[nH]3)CC2(C)C)n1 ZINC000996354892 702732483 /nfs/dbraw/zinc/73/24/83/702732483.db2.gz IWWUQKNOBIVUSR-INIZCTEOSA-N 2 0 344.463 1.756 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC1 ZINC000996450237 702795697 /nfs/dbraw/zinc/79/56/97/702795697.db2.gz STKDWVAZMWAFLD-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996514374 702824885 /nfs/dbraw/zinc/82/48/85/702824885.db2.gz LGNWQSZRIHRVAU-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520145 702856143 /nfs/dbraw/zinc/85/61/43/702856143.db2.gz NLCLLNGJUORGKW-KRWDZBQOSA-N 2 0 342.487 1.812 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996522219 702857925 /nfs/dbraw/zinc/85/79/25/702857925.db2.gz YJJGIERPDZFLLH-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996522335 702858231 /nfs/dbraw/zinc/85/82/31/702858231.db2.gz YQOPQOXDUVNCFF-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996560968 702874679 /nfs/dbraw/zinc/87/46/79/702874679.db2.gz MALCYZCMLCIIFH-MRXNPFEDSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC000996559858 702878358 /nfs/dbraw/zinc/87/83/58/702878358.db2.gz GFLZPSZWXZSOSQ-KRWDZBQOSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560546 702879051 /nfs/dbraw/zinc/87/90/51/702879051.db2.gz JQDWNWJMXBTTTA-MRXNPFEDSA-N 2 0 348.516 1.874 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996605155 702914519 /nfs/dbraw/zinc/91/45/19/702914519.db2.gz BIIZGIIKXCDCHA-GDBMZVCRSA-N 2 0 348.491 1.966 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)C1 ZINC000996611727 702917130 /nfs/dbraw/zinc/91/71/30/702917130.db2.gz OJEYABBQZJKPNX-JCYILVPMSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996643689 702946412 /nfs/dbraw/zinc/94/64/12/702946412.db2.gz DXNLFCBVMJURMB-CJNGLKHVSA-N 2 0 349.479 1.894 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2CC)CC1 ZINC000996662738 702960476 /nfs/dbraw/zinc/96/04/76/702960476.db2.gz PRGVNWJHVLDSJS-KRWDZBQOSA-N 2 0 347.507 1.858 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC000996667393 702964633 /nfs/dbraw/zinc/96/46/33/702964633.db2.gz AXLTZJYYVKEQJF-JKSUJKDBSA-N 2 0 338.496 1.094 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996688342 702985438 /nfs/dbraw/zinc/98/54/38/702985438.db2.gz IBBNGSQFIPWFIH-AWEZNQCLSA-N 2 0 337.493 1.493 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)[nH]1 ZINC000996696368 702992577 /nfs/dbraw/zinc/99/25/77/702992577.db2.gz OEHYPYSHPMFKLS-DOMZBBRYSA-N 2 0 336.484 1.341 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH+](C(C)C)CCO2)C1 ZINC000355149667 703011286 /nfs/dbraw/zinc/01/12/86/703011286.db2.gz MOLIRIYZDITCMD-IAGOWNOFSA-N 2 0 325.497 1.580 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996720210 703014093 /nfs/dbraw/zinc/01/40/93/703014093.db2.gz RXMLDWYJJSJEMB-IAGOWNOFSA-N 2 0 343.475 1.574 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)on1 ZINC000996771725 703061804 /nfs/dbraw/zinc/06/18/04/703061804.db2.gz SFDDSZUKELLQJJ-UHFFFAOYSA-N 2 0 332.448 1.692 20 0 EDADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594551 703107230 /nfs/dbraw/zinc/10/72/30/703107230.db2.gz KNPVZWQIUQHZSR-NVXWUHKLSA-N 2 0 333.480 1.052 20 0 EDADRP CN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCCCCC2)C1 ZINC001032331924 703113342 /nfs/dbraw/zinc/11/33/42/703113342.db2.gz MUHYKQUEPXDHQH-FHWLQOOXSA-N 2 0 349.519 1.963 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996858708 703142708 /nfs/dbraw/zinc/14/27/08/703142708.db2.gz QRMLWKGABPLMDH-SFHVURJKSA-N 2 0 343.475 1.432 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996919911 703190926 /nfs/dbraw/zinc/19/09/26/703190926.db2.gz BXINFTMKFZERGC-HOTGVXAUSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)c1nncn1C ZINC000996921103 703192212 /nfs/dbraw/zinc/19/22/12/703192212.db2.gz IVJREIUJBVTKFG-KKUMJFAQSA-N 2 0 348.495 1.187 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)CC1 ZINC000996956045 703224974 /nfs/dbraw/zinc/22/49/74/703224974.db2.gz RYVCUZVQLQWNJR-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996965228 703225733 /nfs/dbraw/zinc/22/57/33/703225733.db2.gz NKUQSHDCMPLJSZ-GOSISDBHSA-N 2 0 349.523 1.667 20 0 EDADRP CC1CC(C[NH+]2CC(CNC(=O)c3cnn(CC[NH+](C)C)c3)C2)C1 ZINC001032044709 703248126 /nfs/dbraw/zinc/24/81/26/703248126.db2.gz YPQYTFYXEZNKSC-UHFFFAOYSA-N 2 0 333.480 1.152 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996995228 703252233 /nfs/dbraw/zinc/25/22/33/703252233.db2.gz MPBPWDXACNWGBU-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997005422 703262820 /nfs/dbraw/zinc/26/28/20/703262820.db2.gz IJNAAQIQRMIFDY-CQSZACIVSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC000997007101 703264409 /nfs/dbraw/zinc/26/44/09/703264409.db2.gz OKLJJTWSJXXLPB-CQSZACIVSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1cnccn1 ZINC000997008555 703266853 /nfs/dbraw/zinc/26/68/53/703266853.db2.gz VOVGXBBBGDMXTF-GJZGRUSLSA-N 2 0 331.464 1.460 20 0 EDADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997086310 703331839 /nfs/dbraw/zinc/33/18/39/703331839.db2.gz XWCASHHPDXOXEV-QZTJIDSGSA-N 2 0 345.491 1.481 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](CCn3cccn3)C2)cc1 ZINC001032053119 703402630 /nfs/dbraw/zinc/40/26/30/703402630.db2.gz OZDDSDNLKJBMRD-UHFFFAOYSA-N 2 0 341.459 1.307 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)C(N)=O)CC1 ZINC000997162491 703450575 /nfs/dbraw/zinc/45/05/75/703450575.db2.gz LGIHPQQKHWMPQP-GOEBONIOSA-N 2 0 338.496 1.095 20 0 EDADRP Cn1cnnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997185846 703475129 /nfs/dbraw/zinc/47/51/29/703475129.db2.gz STWGWJFVUUJGRY-ZBFHGGJFSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000997188025 703477690 /nfs/dbraw/zinc/47/76/90/703477690.db2.gz NZFASFZLHWXOEX-UHFFFAOYSA-N 2 0 334.489 1.628 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997194306 703491571 /nfs/dbraw/zinc/49/15/71/703491571.db2.gz QUZYXZDQNHPYCV-CQSZACIVSA-N 2 0 332.448 1.720 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(F)ccc3F)CC2)C1 ZINC000997300735 703544305 /nfs/dbraw/zinc/54/43/05/703544305.db2.gz WSCJPHVYWFPIKX-CYBMUJFWSA-N 2 0 337.414 1.997 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997306227 703565034 /nfs/dbraw/zinc/56/50/34/703565034.db2.gz APOJLTVBLUTVMJ-UHFFFAOYSA-N 2 0 333.480 1.176 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000997306629 703565246 /nfs/dbraw/zinc/56/52/46/703565246.db2.gz GZIILWRMZMDNIV-GOSISDBHSA-N 2 0 349.450 1.536 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(NCc2nc(C)no2)CC1 ZINC000997365034 703598234 /nfs/dbraw/zinc/59/82/34/703598234.db2.gz QFFOXNCAVINUBT-OAHLLOKOSA-N 2 0 335.452 1.333 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nocc2C)CC1 ZINC000997367160 703601227 /nfs/dbraw/zinc/60/12/27/703601227.db2.gz WRZOIFKQUNQTIK-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997422831 703671293 /nfs/dbraw/zinc/67/12/93/703671293.db2.gz ZQNLYNCAYUOJNI-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCO1)C12CCC[NH+](CCC1)C2 ZINC001032472466 703685729 /nfs/dbraw/zinc/68/57/29/703685729.db2.gz UNPCAMTXULVXJS-BZSNNMDCSA-N 2 0 347.503 1.717 20 0 EDADRP COC[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488503 703763286 /nfs/dbraw/zinc/76/32/86/703763286.db2.gz JNQRWILMDYYJSG-XIRDDKMYSA-N 2 0 337.508 1.959 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccns2)CC1 ZINC000997516608 703765745 /nfs/dbraw/zinc/76/57/45/703765745.db2.gz SLEOHOULTBTCQK-BBRMVZONSA-N 2 0 336.505 1.954 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+]1CCC2)C1CCC1 ZINC001032498512 703797683 /nfs/dbraw/zinc/79/76/83/703797683.db2.gz YMLRDSFSJCACIS-BZSNNMDCSA-N 2 0 347.503 1.715 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555498 703975292 /nfs/dbraw/zinc/97/52/92/703975292.db2.gz ZJAMWONSOFRLQH-IRXDYDNUSA-N 2 0 330.476 1.811 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033080313 704146003 /nfs/dbraw/zinc/14/60/03/704146003.db2.gz FVJJCGQSQKBCKO-JKSUJKDBSA-N 2 0 341.446 1.906 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033085691 704149841 /nfs/dbraw/zinc/14/98/41/704149841.db2.gz VVKVMXPFVYFZQD-MRXNPFEDSA-N 2 0 335.496 1.637 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001033093142 704170039 /nfs/dbraw/zinc/17/00/39/704170039.db2.gz WRVDDKKMENKOJT-AYOQOUSVSA-N 2 0 345.487 1.552 20 0 EDADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597751 704294294 /nfs/dbraw/zinc/29/42/94/704294294.db2.gz IQFYQXJETICEBG-HCXYKTFWSA-N 2 0 349.519 1.676 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598128 704298825 /nfs/dbraw/zinc/29/88/25/704298825.db2.gz YKJFLHYXMZDZTR-MHORFTMASA-N 2 0 335.492 1.430 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnoc2C)C1 ZINC000999301863 706805374 /nfs/dbraw/zinc/80/53/74/706805374.db2.gz DFHDUPUQTIYIKM-IRXDYDNUSA-N 2 0 334.464 1.938 20 0 EDADRP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997722589 704612691 /nfs/dbraw/zinc/61/26/91/704612691.db2.gz LGVCJILMPHPCTF-VYDXJSESSA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1)OC ZINC000997736456 704627874 /nfs/dbraw/zinc/62/78/74/704627874.db2.gz REEUSWMPSVOIRF-YJBOKZPZSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000997776341 704677452 /nfs/dbraw/zinc/67/74/52/704677452.db2.gz MQBAILBSFUUULR-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000997792057 704700398 /nfs/dbraw/zinc/70/03/98/704700398.db2.gz FORHPCIUOUNAHZ-BPQIPLTHSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997829849 704748434 /nfs/dbraw/zinc/74/84/34/704748434.db2.gz DFVIZEBRZKUVFY-SFHVURJKSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)O1 ZINC000997830302 704749127 /nfs/dbraw/zinc/74/91/27/704749127.db2.gz HNLNCVYCFFLPIO-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cncs2)CC1 ZINC000997837297 704753202 /nfs/dbraw/zinc/75/32/02/704753202.db2.gz PSGDZYCXQAINTD-AWEZNQCLSA-N 2 0 348.516 1.956 20 0 EDADRP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918983 704770156 /nfs/dbraw/zinc/77/01/56/704770156.db2.gz LXIAHQYFDOQLKL-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944919653 704771553 /nfs/dbraw/zinc/77/15/53/704771553.db2.gz PKLLSPUHNYZKBH-AEFFLSMTSA-N 2 0 347.507 1.368 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-n2cccc2)nc1 ZINC000084599646 704877414 /nfs/dbraw/zinc/87/74/14/704877414.db2.gz USGOEIVEOOHJIO-UHFFFAOYSA-N 2 0 329.448 1.438 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000998082665 705309864 /nfs/dbraw/zinc/30/98/64/705309864.db2.gz RZSQDPXWOGDKQJ-HNNXBMFYSA-N 2 0 345.491 1.598 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083139 705312010 /nfs/dbraw/zinc/31/20/10/705312010.db2.gz VNOASFTZZHNEHR-WBVHZDCISA-N 2 0 347.507 1.429 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998100503 705342138 /nfs/dbraw/zinc/34/21/38/705342138.db2.gz YTGHXWCLJHUIOU-BZSNNMDCSA-N 2 0 339.524 1.802 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC(C[NH2+]CC3CCC3)CC2)CC1 ZINC000998184659 705485629 /nfs/dbraw/zinc/48/56/29/705485629.db2.gz MLWQRODXQHNDFH-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H]1CCCN(Cc2nccn2C)CC1 ZINC000998188828 705493545 /nfs/dbraw/zinc/49/35/45/705493545.db2.gz KQHAEJOWDFEAKF-IRXDYDNUSA-N 2 0 347.507 1.575 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998264517 705630745 /nfs/dbraw/zinc/63/07/45/705630745.db2.gz FLKJAUJNJILJCF-INIZCTEOSA-N 2 0 333.480 1.183 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998288431 705684452 /nfs/dbraw/zinc/68/44/52/705684452.db2.gz VLTIUQJZSNBMBL-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)s1 ZINC000998719037 706150734 /nfs/dbraw/zinc/15/07/34/706150734.db2.gz DZDHUTDGYKWMTQ-GDBMZVCRSA-N 2 0 336.505 1.935 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998731276 706163626 /nfs/dbraw/zinc/16/36/26/706163626.db2.gz MYGWVLDKSSMTGC-IAGOWNOFSA-N 2 0 333.480 1.639 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998764498 706203943 /nfs/dbraw/zinc/20/39/43/706203943.db2.gz RVOUNNPAJDNSDS-ABHNRTSZSA-N 2 0 337.508 1.865 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000998779401 706220794 /nfs/dbraw/zinc/22/07/94/706220794.db2.gz BYJZONYZBJAWMR-DAWZGUTISA-N 2 0 343.475 1.206 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000998866467 706295965 /nfs/dbraw/zinc/29/59/65/706295965.db2.gz JWCURURXVQOLPU-DQPZFDDXSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998866474 706296015 /nfs/dbraw/zinc/29/60/15/706296015.db2.gz JWXFUZINRYILOQ-DQPZFDDXSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000998896760 706323820 /nfs/dbraw/zinc/32/38/20/706323820.db2.gz BQZBRDOPRPJQLK-FAEJEUNOSA-N 2 0 347.507 1.477 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517173 706519430 /nfs/dbraw/zinc/51/94/30/706519430.db2.gz ALQDBKKITDVBTE-HCXYKTFWSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1cnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[N@H+]4C)CC[C@@H]3C2)o1 ZINC000946517893 706554998 /nfs/dbraw/zinc/55/49/98/706554998.db2.gz LMXXMVNAQNAXIG-IXDOHACOSA-N 2 0 346.475 1.748 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999143933 706557695 /nfs/dbraw/zinc/55/76/95/706557695.db2.gz RHMQUCAQAMQTPL-ZCYBBYNQSA-N 2 0 347.503 1.619 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999342604 706854589 /nfs/dbraw/zinc/85/45/89/706854589.db2.gz KTVJYCCSSNJLFY-OOHWJJMZSA-N 2 0 345.491 1.767 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999344870 706856463 /nfs/dbraw/zinc/85/64/63/706856463.db2.gz UWSPIASPOMPWQL-UHFFFAOYSA-N 2 0 347.507 1.421 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999345298 706856639 /nfs/dbraw/zinc/85/66/39/706856639.db2.gz ZJNOUKYESQWRHW-UHFFFAOYSA-N 2 0 346.475 1.511 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CC1 ZINC000999374995 706869122 /nfs/dbraw/zinc/86/91/22/706869122.db2.gz SRGUWVXURFEWHA-RBUKOAKNSA-N 2 0 345.487 1.600 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)C1CCC1 ZINC000999372411 706887067 /nfs/dbraw/zinc/88/70/67/706887067.db2.gz BFZFOFKIGWQCNF-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)ncn1 ZINC000999401614 706909334 /nfs/dbraw/zinc/90/93/34/706909334.db2.gz PFYNTQHZNZNSMA-SJLPKXTDSA-N 2 0 345.491 1.740 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999407038 706916750 /nfs/dbraw/zinc/91/67/50/706916750.db2.gz CHAQKVMIGVUEEO-UHFFFAOYSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999431240 706938485 /nfs/dbraw/zinc/93/84/85/706938485.db2.gz BYIORAQRPQTDEG-MSOLQXFVSA-N 2 0 349.523 1.667 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1)[NH+](C)C ZINC000999431794 706939488 /nfs/dbraw/zinc/93/94/88/706939488.db2.gz FEEWOQGSOZQHRY-OTWHNJEPSA-N 2 0 347.503 1.887 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999433171 706941075 /nfs/dbraw/zinc/94/10/75/706941075.db2.gz KHTUPLNBDWKFBX-RDJZCZTQSA-N 2 0 336.480 1.904 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999505892 707003291 /nfs/dbraw/zinc/00/32/91/707003291.db2.gz MSYVEFXGVYVCSI-ABHNRTSZSA-N 2 0 347.507 1.725 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999508385 707005973 /nfs/dbraw/zinc/00/59/73/707005973.db2.gz KNGTYZVKKNYCJU-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999515539 707014613 /nfs/dbraw/zinc/01/46/13/707014613.db2.gz YFUZNJCCJPLABD-SJLPKXTDSA-N 2 0 330.476 1.955 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999515838 707014963 /nfs/dbraw/zinc/01/49/63/707014963.db2.gz YWXMVVVVRRAPGL-CVEARBPZSA-N 2 0 348.495 1.171 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1)[NH+](C)C ZINC000999489200 707024987 /nfs/dbraw/zinc/02/49/87/707024987.db2.gz INKVQNYTAUQSKE-MAUKXSAKSA-N 2 0 347.507 1.640 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CC[C@@H]3CCOC3)C2)CC1 ZINC000999600723 707102718 /nfs/dbraw/zinc/10/27/18/707102718.db2.gz DNQSESWOYIJPNN-WWDZGPRUSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999623093 707145037 /nfs/dbraw/zinc/14/50/37/707145037.db2.gz VGDRLMCFZVEAGO-RDJZCZTQSA-N 2 0 342.443 1.955 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)c1 ZINC000999681366 707166102 /nfs/dbraw/zinc/16/61/02/707166102.db2.gz FHRBASCTBAXRAA-FAEJEUNOSA-N 2 0 330.476 1.811 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3cnon3)C[C@H]2CC1 ZINC000946779312 707240195 /nfs/dbraw/zinc/24/01/95/707240195.db2.gz MYWNQBZGFXZDEG-OAGGEKHMSA-N 2 0 347.463 1.224 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921686637 707308067 /nfs/dbraw/zinc/30/80/67/707308067.db2.gz WMUOKUOYXYZIKF-LBPRGKRZSA-N 2 0 344.301 1.535 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033183385 707359604 /nfs/dbraw/zinc/35/96/04/707359604.db2.gz XSCJIEXBZPEKPK-QZTJIDSGSA-N 2 0 349.519 1.822 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1 ZINC000946742936 707363945 /nfs/dbraw/zinc/36/39/45/707363945.db2.gz KBKAZFMUAZPMJK-IYBDPMFKSA-N 2 0 349.475 1.508 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999793204 707364255 /nfs/dbraw/zinc/36/42/55/707364255.db2.gz PTROLWNYXDDHOX-GDBMZVCRSA-N 2 0 349.504 1.493 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999793226 707364297 /nfs/dbraw/zinc/36/42/97/707364297.db2.gz PTROLWNYXDDHOX-ZBFHGGJFSA-N 2 0 349.504 1.493 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)c3occc3C[NH+](C)C)CC[C@@H]2C1 ZINC000946743438 707407431 /nfs/dbraw/zinc/40/74/31/707407431.db2.gz VFRWGLPACSTHLS-IYBDPMFKSA-N 2 0 349.475 1.772 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)n1 ZINC001033194039 707430417 /nfs/dbraw/zinc/43/04/17/707430417.db2.gz AQSHSULFEOIQCP-JKSUJKDBSA-N 2 0 349.479 1.328 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000999828947 707457895 /nfs/dbraw/zinc/45/78/95/707457895.db2.gz HNECANSUIGFBHU-SYJJWHGVSA-N 2 0 345.491 1.250 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999831254 707458432 /nfs/dbraw/zinc/45/84/32/707458432.db2.gz JULLZELZXJDKKX-FAEJEUNOSA-N 2 0 347.507 1.803 20 0 EDADRP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC000999832668 707464017 /nfs/dbraw/zinc/46/40/17/707464017.db2.gz GRQIMBGDCVERPD-UHFFFAOYSA-N 2 0 333.480 1.120 20 0 EDADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)c(C)n1 ZINC000999837130 707473558 /nfs/dbraw/zinc/47/35/58/707473558.db2.gz ODGIQTVXOKOFFV-AOCRQIFASA-N 2 0 330.476 1.729 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001000106943 707700646 /nfs/dbraw/zinc/70/06/46/707700646.db2.gz VQNCXIMTZPFLFE-NVXWUHKLSA-N 2 0 335.492 1.478 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CC[C@H](C)C3)C2)cn1 ZINC001033420389 707830942 /nfs/dbraw/zinc/83/09/42/707830942.db2.gz OUBORPJTZBTDNE-FUHWJXTLSA-N 2 0 347.507 1.320 20 0 EDADRP Cc1nc(C)c(C)c(N2CC[C@@H](CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001061605083 707862967 /nfs/dbraw/zinc/86/29/67/707862967.db2.gz WAEGCEHXTHVSFX-JKSUJKDBSA-N 2 0 331.464 1.296 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3C/C=C/c2ccccc2)C1 ZINC001032781755 707970620 /nfs/dbraw/zinc/97/06/20/707970620.db2.gz HPDMNFJRQWHBAK-UJXMIOSPSA-N 2 0 325.456 1.937 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033506431 707976518 /nfs/dbraw/zinc/97/65/18/707976518.db2.gz YZDAJWAYZTXRNX-CRAIPNDOSA-N 2 0 333.476 1.929 20 0 EDADRP C[C@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490622 707985138 /nfs/dbraw/zinc/98/51/38/707985138.db2.gz UXJBVIVFDFQYGH-GOEBONIOSA-N 2 0 339.459 1.339 20 0 EDADRP CCN1CCO[C@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCC2CCC2)C1 ZINC001032791718 708036223 /nfs/dbraw/zinc/03/62/23/708036223.db2.gz ACVRZPMVCISMKR-BZSNNMDCSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC001000713706 708063060 /nfs/dbraw/zinc/06/30/60/708063060.db2.gz WMZLELUOAJEETQ-HNNXBMFYSA-N 2 0 332.448 1.468 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCc3ccnn3C)C2)CC1 ZINC001033532941 708156393 /nfs/dbraw/zinc/15/63/93/708156393.db2.gz VWNDDRARNNFHCC-SFHVURJKSA-N 2 0 347.507 1.227 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCO)C[C@H]2C)o1 ZINC001044879208 708240704 /nfs/dbraw/zinc/24/07/04/708240704.db2.gz OLWIIJDLHJFOOJ-HUUCEWRRSA-N 2 0 337.464 1.696 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571407 708274527 /nfs/dbraw/zinc/27/45/27/708274527.db2.gz NVOGOSSFEHWFQY-QAPCUYQASA-N 2 0 337.508 1.676 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](CC[C@@H]3CCOC3)CC2)CC1 ZINC001001795508 708309922 /nfs/dbraw/zinc/30/99/22/708309922.db2.gz VBEGLHMXMHZTGD-QGZVFWFLSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC001033658805 708469822 /nfs/dbraw/zinc/46/98/22/708469822.db2.gz UQMSELYDKBRVEX-QGZVFWFLSA-N 2 0 333.480 1.128 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042811 708533291 /nfs/dbraw/zinc/53/32/91/708533291.db2.gz JULZCHLDKMPICS-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCn2cccn2)CC1 ZINC001002157604 708672040 /nfs/dbraw/zinc/67/20/40/708672040.db2.gz KSKPKIPDRBXPCI-GOSISDBHSA-N 2 0 347.507 1.586 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033830615 708852078 /nfs/dbraw/zinc/85/20/78/708852078.db2.gz LNAFBUPAMNVVJJ-QZTJIDSGSA-N 2 0 345.491 1.148 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033833883 708860063 /nfs/dbraw/zinc/86/00/63/708860063.db2.gz LWFIKYIMDQPFML-BPQIPLTHSA-N 2 0 347.507 1.226 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033839726 708870124 /nfs/dbraw/zinc/87/01/24/708870124.db2.gz UWZJZFNWWJQHKY-BPQIPLTHSA-N 2 0 337.508 1.676 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033855273 708917387 /nfs/dbraw/zinc/91/73/87/708917387.db2.gz IYUJPLILGZPECK-DLBZAZTESA-N 2 0 325.497 1.534 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)OC)CC2)CC[N@@H+]1C ZINC001005416770 708947789 /nfs/dbraw/zinc/94/77/89/708947789.db2.gz YZBWNVSUMJDCRS-HYVNUMGLSA-N 2 0 325.497 1.674 20 0 EDADRP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC001002480570 709030780 /nfs/dbraw/zinc/03/07/80/709030780.db2.gz NLRVVDJZSASEAJ-KRWDZBQOSA-N 2 0 345.491 1.322 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)[C@H]2CC[NH+](CCCO)C2)C1 ZINC001033932058 709099088 /nfs/dbraw/zinc/09/90/88/709099088.db2.gz GCORHASQVGCTQJ-SJORKVTESA-N 2 0 325.497 1.414 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033983578 709192757 /nfs/dbraw/zinc/19/27/57/709192757.db2.gz UVKULYZNZNQIHI-KRWDZBQOSA-N 2 0 333.480 1.391 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001034043905 709295353 /nfs/dbraw/zinc/29/53/53/709295353.db2.gz YEEUOUDUJJYEJG-WMZOPIPTSA-N 2 0 330.476 1.765 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCO)CC2)C1 ZINC000948711023 709374027 /nfs/dbraw/zinc/37/40/27/709374027.db2.gz KHHFAWFYUYJSTF-IRXDYDNUSA-N 2 0 325.497 1.414 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002808664 709410945 /nfs/dbraw/zinc/41/09/45/709410945.db2.gz FBIFQHRRTALRDQ-HKUYNNGSSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002831522 709442472 /nfs/dbraw/zinc/44/24/72/709442472.db2.gz GVWLQQJDUQEAPT-MSOLQXFVSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002873357 709493910 /nfs/dbraw/zinc/49/39/10/709493910.db2.gz BFAZWPJSCZALJY-DLBZAZTESA-N 2 0 349.500 1.692 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034248530 709609883 /nfs/dbraw/zinc/60/98/83/709609883.db2.gz DCLAALZUNJVFPD-IRXDYDNUSA-N 2 0 325.497 1.602 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CCOC3CCC3)C2)CC1 ZINC001034387423 709916865 /nfs/dbraw/zinc/91/68/65/709916865.db2.gz YQYZMSDMXBAIJP-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034432645 710002449 /nfs/dbraw/zinc/00/24/49/710002449.db2.gz XJTIBWSLYCZGQC-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003230877 710152222 /nfs/dbraw/zinc/15/22/22/710152222.db2.gz SJUYCVVIHUXHBD-GOSISDBHSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1ncc(C[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)s1 ZINC001034524206 710172947 /nfs/dbraw/zinc/17/29/47/710172947.db2.gz DZBGEXZQVAUISG-LSDHHAIUSA-N 2 0 336.505 1.874 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCOc3ccccc3)C2)C1 ZINC001034526026 710177770 /nfs/dbraw/zinc/17/77/70/710177770.db2.gz RUVDPLPARJBPBL-QZTJIDSGSA-N 2 0 345.487 1.988 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034646819 710323117 /nfs/dbraw/zinc/32/31/17/710323117.db2.gz WTUKHODBBSXMSC-ULQDDVLXSA-N 2 0 348.495 1.168 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)CC1 ZINC001003547806 710414014 /nfs/dbraw/zinc/41/40/14/710414014.db2.gz MSLZAWUVMGVBTC-HNNXBMFYSA-N 2 0 345.434 1.333 20 0 EDADRP Cn1nc2c(c1CNC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)COCC2 ZINC000922211531 710446841 /nfs/dbraw/zinc/44/68/41/710446841.db2.gz GCLWRNDZFWIYRO-SJORKVTESA-N 2 0 340.471 1.928 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)c1 ZINC001003626907 710451004 /nfs/dbraw/zinc/45/10/04/710451004.db2.gz XGNBOSLMFRZVRJ-OAHLLOKOSA-N 2 0 330.476 1.812 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC2CC[NH+](CCCO)CC2)C1 ZINC001003628467 710458039 /nfs/dbraw/zinc/45/80/39/710458039.db2.gz QFMLMSBOVNANAW-QGZVFWFLSA-N 2 0 329.460 1.162 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632802 710461377 /nfs/dbraw/zinc/46/13/77/710461377.db2.gz CIXQUAKKURLQFE-YJBOKZPZSA-N 2 0 347.507 1.224 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034672578 710620727 /nfs/dbraw/zinc/62/07/27/710620727.db2.gz NZHKOYRXKSQPSI-BZSNNMDCSA-N 2 0 337.508 1.914 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665158 710900062 /nfs/dbraw/zinc/90/00/62/710900062.db2.gz UBRNRGOOBHXXDP-AWEZNQCLSA-N 2 0 330.432 1.906 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034734957 710917735 /nfs/dbraw/zinc/91/77/35/710917735.db2.gz CMEDUOFPPCXHCQ-JYJNAYRXSA-N 2 0 333.480 1.421 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032944477 710920748 /nfs/dbraw/zinc/92/07/48/710920748.db2.gz LBGXFEZQIMRBPL-RBUKOAKNSA-N 2 0 344.503 1.880 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)nc1 ZINC001034735649 710921533 /nfs/dbraw/zinc/92/15/33/710921533.db2.gz KGOOGRGTDCMUIG-ULQDDVLXSA-N 2 0 345.491 1.786 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034736736 710924319 /nfs/dbraw/zinc/92/43/19/710924319.db2.gz AXQLDCQVYZZHKO-ANQUJSFKSA-N 2 0 333.480 1.135 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034737186 710949263 /nfs/dbraw/zinc/94/92/63/710949263.db2.gz HGCHUMDVQGNDMI-DDBAPUKQSA-N 2 0 330.476 1.796 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cn1 ZINC001032960234 710968631 /nfs/dbraw/zinc/96/86/31/710968631.db2.gz PPWZHKCOBREFII-IAGOWNOFSA-N 2 0 333.480 1.072 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c(C)n1 ZINC001032967244 711026765 /nfs/dbraw/zinc/02/67/65/711026765.db2.gz HRFCQEVWPREKJF-ZWKOTPCHSA-N 2 0 330.476 1.825 20 0 EDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)C(N)=O ZINC001034795936 711115650 /nfs/dbraw/zinc/11/56/50/711115650.db2.gz YSPITEHSZQMYDB-FPCVCCKLSA-N 2 0 338.496 1.142 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034792129 711118292 /nfs/dbraw/zinc/11/82/92/711118292.db2.gz FSFNNFBBNZZEDK-MGPQQGTHSA-N 2 0 337.493 1.315 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034793361 711123737 /nfs/dbraw/zinc/12/37/37/711123737.db2.gz YFIHWOOCVPEXBF-AJNGGQMLSA-N 2 0 348.495 1.397 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H]2CCCOC2)cc1 ZINC001034811813 711177160 /nfs/dbraw/zinc/17/71/60/711177160.db2.gz XQSWHCPRSQAVST-MOPGFXCFSA-N 2 0 345.487 1.913 20 0 EDADRP O=C(NC1CC[NH+](CCC[C@@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001003986315 711192020 /nfs/dbraw/zinc/19/20/20/711192020.db2.gz UMNOWEHUJZYQMM-MRXNPFEDSA-N 2 0 335.492 1.480 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001034821214 711222209 /nfs/dbraw/zinc/22/22/09/711222209.db2.gz RXQKDCKVMKCLKU-RBUKOAKNSA-N 2 0 345.487 1.913 20 0 EDADRP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034830764 711236977 /nfs/dbraw/zinc/23/69/77/711236977.db2.gz CUYYKHLAKIEBOQ-KRWDZBQOSA-N 2 0 341.459 1.278 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)s1 ZINC001034942583 711395678 /nfs/dbraw/zinc/39/56/78/711395678.db2.gz ZCTWPJFXZFXNGM-CVEARBPZSA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387804 711427830 /nfs/dbraw/zinc/42/78/30/711427830.db2.gz BAVGCSGFPHEBAJ-LNCBFAARSA-N 2 0 342.434 1.927 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034958140 711431230 /nfs/dbraw/zinc/43/12/30/711431230.db2.gz BHYJZPAVPFRGGB-AEFFLSMTSA-N 2 0 330.476 1.811 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034958483 711432340 /nfs/dbraw/zinc/43/23/40/711432340.db2.gz JENJZJASCCBMCQ-NVXWUHKLSA-N 2 0 333.480 1.324 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034941863 711447150 /nfs/dbraw/zinc/44/71/50/711447150.db2.gz PIBIOGFNNWWFKO-SJORKVTESA-N 2 0 345.491 1.325 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccnc1OC)[NH+](C)C ZINC001034971531 711451573 /nfs/dbraw/zinc/45/15/73/711451573.db2.gz OZYUSDVHZKVBLX-HZPDHXFCSA-N 2 0 334.464 1.511 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001004142917 711542906 /nfs/dbraw/zinc/54/29/06/711542906.db2.gz KVWBPSYUAXRIRL-AWEZNQCLSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1nsc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004145754 711555599 /nfs/dbraw/zinc/55/55/99/711555599.db2.gz TYGMCXZEKSILIX-CQSZACIVSA-N 2 0 336.505 1.792 20 0 EDADRP O=C(N1CCC([C@@H]2CCC[N@H+]2CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001004468995 711844928 /nfs/dbraw/zinc/84/49/28/711844928.db2.gz KKXSUVCXVCBYGK-SFHVURJKSA-N 2 0 349.519 1.558 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033139349 711932766 /nfs/dbraw/zinc/93/27/66/711932766.db2.gz GIFDJNMZQNWRKC-MOPGFXCFSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC[C@@H]2C1 ZINC000946638618 712108025 /nfs/dbraw/zinc/10/80/25/712108025.db2.gz URYLXFWYEVOPLP-OKZBNKHCSA-N 2 0 349.519 1.414 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645033 712153669 /nfs/dbraw/zinc/15/36/69/712153669.db2.gz NGWGJTWZLYJOCU-WNRNVDISSA-N 2 0 337.508 1.676 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000370536399 712330680 /nfs/dbraw/zinc/33/06/80/712330680.db2.gz SFJOAZQTHWQKFA-ZWKOTPCHSA-N 2 0 337.508 1.581 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000262889537 536567053 /nfs/dbraw/zinc/56/70/53/536567053.db2.gz OLSCHVJJASQJHH-MPGHIAIKSA-N 2 0 349.475 1.276 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)n1 ZINC000173945624 231077770 /nfs/dbraw/zinc/07/77/70/231077770.db2.gz VNILBGFCLGFJFB-GOOCMWNKSA-N 2 0 334.468 1.582 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000558713911 306245392 /nfs/dbraw/zinc/24/53/92/306245392.db2.gz YDYNOMQHNUWWTA-DZGCQCFKSA-N 2 0 335.423 1.831 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO)c1ccccc1 ZINC000493710560 282238519 /nfs/dbraw/zinc/23/85/19/282238519.db2.gz SMDZKEPBMHPQGD-ZHALLVOQSA-N 2 0 333.476 1.546 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000561165580 306283455 /nfs/dbraw/zinc/28/34/55/306283455.db2.gz JCYJZDUOVPBESG-BHIYHBOVSA-N 2 0 344.503 1.930 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000562612647 306302871 /nfs/dbraw/zinc/30/28/71/306302871.db2.gz BUXTVAMGNXDMGE-OAHLLOKOSA-N 2 0 345.443 1.109 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347881331 283051928 /nfs/dbraw/zinc/05/19/28/283051928.db2.gz YAVJIZZBXUTCJT-YJBOKZPZSA-N 2 0 335.496 1.603 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000412848941 304041094 /nfs/dbraw/zinc/04/10/94/304041094.db2.gz SRHVHQJTMKUSBJ-KRWDZBQOSA-N 2 0 330.476 1.653 20 0 EDADRP O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000281224212 540075335 /nfs/dbraw/zinc/07/53/35/540075335.db2.gz OMIWVHFJTGBXCD-SJLPKXTDSA-N 2 0 342.443 1.342 20 0 EDADRP O=S(=O)(CCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)NCc1ccccc1 ZINC000178953982 540114371 /nfs/dbraw/zinc/11/43/71/540114371.db2.gz PIKLMBGHRWKKAS-DLBZAZTESA-N 2 0 337.489 1.322 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000563398399 306331632 /nfs/dbraw/zinc/33/16/32/306331632.db2.gz QAVPRSRBWDIRBQ-QGZVFWFLSA-N 2 0 340.512 1.022 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000563454390 306334485 /nfs/dbraw/zinc/33/44/85/306334485.db2.gz QWFBANVAHXCUMZ-KURKYZTESA-N 2 0 328.460 1.512 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)CC[C@H]1CCCC[NH+]1C ZINC000360185787 283165286 /nfs/dbraw/zinc/16/52/86/283165286.db2.gz WOCNFOCCDAWUKC-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000360171052 283165742 /nfs/dbraw/zinc/16/57/42/283165742.db2.gz MQBZVDVXWZNCSN-HOTGVXAUSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCCCC1 ZINC000073205394 138215234 /nfs/dbraw/zinc/21/52/34/138215234.db2.gz OWEAQXVIJHUTEV-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(=O)Nc2ccccc2)C1 ZINC000072858152 138211451 /nfs/dbraw/zinc/21/14/51/138211451.db2.gz XCRUHLSOFMRRHG-OAHLLOKOSA-N 2 0 332.448 1.998 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[NH+](C)C ZINC000132046090 138370661 /nfs/dbraw/zinc/37/06/61/138370661.db2.gz PNQZIGMFUVPJCO-NUJGCVRESA-N 2 0 339.524 1.920 20 0 EDADRP Cc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000563670286 306344558 /nfs/dbraw/zinc/34/45/58/306344558.db2.gz MNFWBWADYWSYST-MOPGFXCFSA-N 2 0 345.487 1.830 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H]2[C@@H](C1)CCC[C@H]2[NH3+] ZINC000564065135 306354713 /nfs/dbraw/zinc/35/47/13/306354713.db2.gz KFVYSMBJCCKKFG-ZFVVBOAOSA-N 2 0 326.444 1.624 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)CC1 ZINC000564081584 306355363 /nfs/dbraw/zinc/35/53/63/306355363.db2.gz CNFWIQCGTUNZFI-LXPRWKDFSA-N 2 0 337.508 1.724 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000564089293 306355635 /nfs/dbraw/zinc/35/56/35/306355635.db2.gz GSIBREFFBZKYSN-UHOSZYNNSA-N 2 0 347.503 1.982 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842704 304080183 /nfs/dbraw/zinc/08/01/83/304080183.db2.gz PTYXEMPBIBMOBC-HRBLRVMOSA-N 2 0 349.523 1.033 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cc2)CC1 ZINC000564652275 306362159 /nfs/dbraw/zinc/36/21/59/306362159.db2.gz WUHUPWZZZUPFAG-HNNXBMFYSA-N 2 0 331.382 1.447 20 0 EDADRP COCC1(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[NH2+]CC1 ZINC000564839338 306366416 /nfs/dbraw/zinc/36/64/16/306366416.db2.gz CSRONPAZJQCDKT-INIZCTEOSA-N 2 0 344.459 1.170 20 0 EDADRP COc1ccc(CC[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000564843433 306366630 /nfs/dbraw/zinc/36/66/30/306366630.db2.gz CUSJMTDUZBBDKL-IJEWVQPXSA-N 2 0 340.439 1.437 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000564905728 306369242 /nfs/dbraw/zinc/36/92/42/306369242.db2.gz QTGXYUCDANIBQL-QZTJIDSGSA-N 2 0 330.476 1.091 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000565099026 306375583 /nfs/dbraw/zinc/37/55/83/306375583.db2.gz OSGMKKBWIBVFDG-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC[C@@]1(O)C[NH+]3CCC1CC3)CC2 ZINC000565196982 306377522 /nfs/dbraw/zinc/37/75/22/306377522.db2.gz NARIDYUSCOVAPP-BFUOFWGJSA-N 2 0 346.475 1.211 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337725070 296016947 /nfs/dbraw/zinc/01/69/47/296016947.db2.gz SMUXVBQMQSRIFN-MJGOQNOKSA-N 2 0 349.519 1.964 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000414176175 304104461 /nfs/dbraw/zinc/10/44/61/304104461.db2.gz HETNHFUHEKYGLA-SQNIBIBYSA-N 2 0 337.508 1.330 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000565717799 306389912 /nfs/dbraw/zinc/38/99/12/306389912.db2.gz VLBCXSIXLSBBOV-KURKYZTESA-N 2 0 331.460 1.740 20 0 EDADRP CN(C)c1ncc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1C ZINC000414358581 304111630 /nfs/dbraw/zinc/11/16/30/304111630.db2.gz MCRGRVCTVRJSNP-UHFFFAOYSA-N 2 0 348.539 1.526 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000565828570 306392516 /nfs/dbraw/zinc/39/25/16/306392516.db2.gz WTHOEODCONNZKX-XZOAIXRZSA-N 2 0 344.459 1.083 20 0 EDADRP Cc1cc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)ccc1Cl ZINC000566129249 306399078 /nfs/dbraw/zinc/39/90/78/306399078.db2.gz BIXKQAURKIABCG-INIZCTEOSA-N 2 0 325.884 1.389 20 0 EDADRP COC(=O)[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@H+](C)C1 ZINC000414495182 304120381 /nfs/dbraw/zinc/12/03/81/304120381.db2.gz WYCMZOVLHCXPNQ-MRXNPFEDSA-N 2 0 343.431 1.112 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262669266 296074992 /nfs/dbraw/zinc/07/49/92/296074992.db2.gz MCQZONIVMDILSV-SQNIBIBYSA-N 2 0 335.492 1.478 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000370020907 296075005 /nfs/dbraw/zinc/07/50/05/296075005.db2.gz VGNAHVRLXFXXNN-QZTJIDSGSA-N 2 0 334.508 1.101 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414694728 304128305 /nfs/dbraw/zinc/12/83/05/304128305.db2.gz DQYUXWFYXACKFU-AWEZNQCLSA-N 2 0 344.459 1.261 20 0 EDADRP COc1ccc([C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1 ZINC000414695622 304128378 /nfs/dbraw/zinc/12/83/78/304128378.db2.gz PGGPZAMRASXIKR-RDJZCZTQSA-N 2 0 331.460 1.682 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414709701 304131164 /nfs/dbraw/zinc/13/11/64/304131164.db2.gz RPHVXGFDBCUDQJ-CYBMUJFWSA-N 2 0 332.448 1.117 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N[C@@H](C)C[NH3+])CC1 ZINC000414732698 304134468 /nfs/dbraw/zinc/13/44/68/304134468.db2.gz URSVIWKNWJSQMS-LBPRGKRZSA-N 2 0 339.871 1.951 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000154325101 296109470 /nfs/dbraw/zinc/10/94/70/296109470.db2.gz ZKYCQHVOBQZQQK-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000353810956 296109572 /nfs/dbraw/zinc/10/95/72/296109572.db2.gz MLZZRCDWEQEFDL-SJLPKXTDSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414747037 304136658 /nfs/dbraw/zinc/13/66/58/304136658.db2.gz GQAUWCMUCDMUOQ-BBRMVZONSA-N 2 0 334.464 1.737 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000414797025 304141707 /nfs/dbraw/zinc/14/17/07/304141707.db2.gz WCAODFOAVOQZIR-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000423176104 296123761 /nfs/dbraw/zinc/12/37/61/296123761.db2.gz GCQBWQPAKYWOHZ-CYBMUJFWSA-N 2 0 343.468 1.175 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@H](C)[NH3+])CC2)cc1 ZINC000414818110 304144442 /nfs/dbraw/zinc/14/44/42/304144442.db2.gz CTGBJORSCFHKDN-ZDUSSCGKSA-N 2 0 341.477 1.175 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414832775 304145963 /nfs/dbraw/zinc/14/59/63/304145963.db2.gz OUQDYZOHKPBGED-KRWDZBQOSA-N 2 0 344.459 1.609 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC ZINC000414844640 304147225 /nfs/dbraw/zinc/14/72/25/304147225.db2.gz QAGLLXOXMIMPFX-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414997266 304149129 /nfs/dbraw/zinc/14/91/29/304149129.db2.gz PNDHDAPEMMLFOW-WMLDXEAASA-N 2 0 346.475 1.881 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414996946 304149382 /nfs/dbraw/zinc/14/93/82/304149382.db2.gz PAVUMCSTFKNSNU-QGZVFWFLSA-N 2 0 344.459 1.465 20 0 EDADRP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000073988368 203277404 /nfs/dbraw/zinc/27/74/04/203277404.db2.gz GYVJMCJVJSPPML-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](NC[C@H]4C[NH2+]CCCO4)[C@@H]3C2)cc1 ZINC000415036770 304153329 /nfs/dbraw/zinc/15/33/29/304153329.db2.gz KEYZXWFIGCQNRY-NMLBUPMWSA-N 2 0 329.488 1.865 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CNC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000415041695 304153759 /nfs/dbraw/zinc/15/37/59/304153759.db2.gz PSEMISZSYNPEIA-IBGZPJMESA-N 2 0 346.519 1.687 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000415054874 304155008 /nfs/dbraw/zinc/15/50/08/304155008.db2.gz FJDPXEORQYWMPL-XJKSGUPXSA-N 2 0 347.463 1.113 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415058124 304155617 /nfs/dbraw/zinc/15/56/17/304155617.db2.gz SNYRPWNOUVKSOE-UHFFFAOYSA-N 2 0 331.460 1.779 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000415078111 304158123 /nfs/dbraw/zinc/15/81/23/304158123.db2.gz IIOKOBZASGIHIT-UHFFFAOYSA-N 2 0 348.491 1.781 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000194825879 139000833 /nfs/dbraw/zinc/00/08/33/139000833.db2.gz LIZYMQSNKDOXBO-CQSZACIVSA-N 2 0 336.436 1.816 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000106516250 204198917 /nfs/dbraw/zinc/19/89/17/204198917.db2.gz KURUEURLNKOYFT-WMZOPIPTSA-N 2 0 347.507 1.224 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415131899 304162447 /nfs/dbraw/zinc/16/24/47/304162447.db2.gz SQKDZZSSOIMABY-AWEZNQCLSA-N 2 0 344.459 1.071 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415134744 304162856 /nfs/dbraw/zinc/16/28/56/304162856.db2.gz PLEAVIODJXNAMA-HKUYNNGSSA-N 3 0 330.520 1.958 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC([NH+]3CCCC3)CC2)CC1 ZINC000195140571 139007741 /nfs/dbraw/zinc/00/77/41/139007741.db2.gz OGGJKZSYQZQROH-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP CCC(CC)(C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000236737681 139029868 /nfs/dbraw/zinc/02/98/68/139029868.db2.gz BTRCEASMGSPDEN-UHFFFAOYSA-N 2 0 333.480 1.227 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000236867791 139033725 /nfs/dbraw/zinc/03/37/25/139033725.db2.gz DBBGYYJEECYRIH-MRXNPFEDSA-N 2 0 332.448 1.449 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000236951203 139036148 /nfs/dbraw/zinc/03/61/48/139036148.db2.gz MYVZAILEDZYBBA-KRWDZBQOSA-N 2 0 334.464 1.379 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2CC[NH2+]CC2)CC1 ZINC000236954454 139036356 /nfs/dbraw/zinc/03/63/56/139036356.db2.gz MTZCAVQQONKULH-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000567382668 306449970 /nfs/dbraw/zinc/44/99/70/306449970.db2.gz RERMIUMNTCFJCX-RRFJBIMHSA-N 2 0 325.840 1.436 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000237326607 139048056 /nfs/dbraw/zinc/04/80/56/139048056.db2.gz RLGCBUARXQHMML-AEFFLSMTSA-N 2 0 331.460 1.948 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C)[C@@H](C)[C@@H]2C)c1 ZINC000415179502 304171590 /nfs/dbraw/zinc/17/15/90/304171590.db2.gz JYPCJNGTUVIQQA-KBPBESRZSA-N 2 0 332.448 1.286 20 0 EDADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000128600726 205153981 /nfs/dbraw/zinc/15/39/81/205153981.db2.gz QUPNLXVJOWRPCH-INIZCTEOSA-N 2 0 343.479 1.341 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237462578 139051810 /nfs/dbraw/zinc/05/18/10/139051810.db2.gz IOZFKOINXLUVQS-OAHLLOKOSA-N 2 0 348.495 1.445 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415193734 304173487 /nfs/dbraw/zinc/17/34/87/304173487.db2.gz MPNGSVUVGXPXHW-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)([NH+](C)C)C1 ZINC000237701537 139058215 /nfs/dbraw/zinc/05/82/15/139058215.db2.gz FMAXTLCLQAGCMR-KSSFIOAISA-N 2 0 348.495 1.443 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111866160 220214878 /nfs/dbraw/zinc/21/48/78/220214878.db2.gz QFLJQQARJCOYCK-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000415263051 304181184 /nfs/dbraw/zinc/18/11/84/304181184.db2.gz GZYBNGQZRYEDDE-OAHLLOKOSA-N 2 0 332.448 1.417 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000415266318 304181775 /nfs/dbraw/zinc/18/17/75/304181775.db2.gz GUHWTSXXGVQLPX-MRXNPFEDSA-N 2 0 344.459 1.213 20 0 EDADRP C[C@@H](CCn1cccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000157554288 206142291 /nfs/dbraw/zinc/14/22/91/206142291.db2.gz OVRRLOXZFJCUFL-INIZCTEOSA-N 2 0 328.464 1.598 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC000567909577 306466248 /nfs/dbraw/zinc/46/62/48/306466248.db2.gz HGTDWIMJWUWQQD-MJGOQNOKSA-N 2 0 342.487 1.112 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000246258513 139101229 /nfs/dbraw/zinc/10/12/29/139101229.db2.gz KQJCYFGXNDEWMU-LMMKCTJWSA-N 2 0 344.503 1.703 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC(C[NH3+])CC3)ccc21 ZINC000415300489 304189051 /nfs/dbraw/zinc/18/90/51/304189051.db2.gz KDJKYBNHKAKNGO-KRWDZBQOSA-N 2 0 344.459 1.371 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246556174 139112766 /nfs/dbraw/zinc/11/27/66/139112766.db2.gz KRHGIZIOQSKSNA-DVOMOZLQSA-N 2 0 334.464 1.312 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000415350143 304200736 /nfs/dbraw/zinc/20/07/36/304200736.db2.gz FGWIRLRYRDIHQY-MRXNPFEDSA-N 2 0 344.459 1.071 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000262883465 296268819 /nfs/dbraw/zinc/26/88/19/296268819.db2.gz ZFTFLZQYRIPGKQ-IRXDYDNUSA-N 2 0 345.491 1.898 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000247326123 139145097 /nfs/dbraw/zinc/14/50/97/139145097.db2.gz UEUVMSSKIZZBIC-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000248855771 139177824 /nfs/dbraw/zinc/17/78/24/139177824.db2.gz PGUPJLIPTGEWFL-SUMDDJOVSA-N 2 0 348.491 1.119 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CCCC2(C)C)C1 ZINC000248948189 139181301 /nfs/dbraw/zinc/18/13/01/139181301.db2.gz AURNJQBQRTYREP-HOTGVXAUSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000112215761 220264543 /nfs/dbraw/zinc/26/45/43/220264543.db2.gz HSKPWYLWRXCFLZ-HZPDHXFCSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000249690584 139197068 /nfs/dbraw/zinc/19/70/68/139197068.db2.gz QXPMJPRMSSEWOW-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000249760965 139198206 /nfs/dbraw/zinc/19/82/06/139198206.db2.gz LIKNCJILCQIBMB-JYJNAYRXSA-N 2 0 326.485 1.269 20 0 EDADRP COC[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540655 139208654 /nfs/dbraw/zinc/20/86/54/139208654.db2.gz AIEGXGWLNUEYEO-PKOBYXMFSA-N 2 0 331.460 1.393 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261615731 139211411 /nfs/dbraw/zinc/21/14/11/139211411.db2.gz BSSRRVHYOBWROF-SFHVURJKSA-N 2 0 349.475 1.040 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)c1 ZINC000261643871 139213848 /nfs/dbraw/zinc/21/38/48/139213848.db2.gz DXTRNYXPFGFCAW-ZWKOTPCHSA-N 2 0 344.503 1.703 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000261688556 139217721 /nfs/dbraw/zinc/21/77/21/139217721.db2.gz NIWQLGHCEYXVES-INMHGKMJSA-N 2 0 326.444 1.781 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2OC(F)(F)F)C1 ZINC000261743169 139222413 /nfs/dbraw/zinc/22/24/13/139222413.db2.gz TURBQFREKFZJRY-CYBMUJFWSA-N 2 0 345.365 1.872 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[NH+](C)C)c1 ZINC000261862514 139232169 /nfs/dbraw/zinc/23/21/69/139232169.db2.gz SIZFLFDCNNIWNN-IRXDYDNUSA-N 2 0 335.448 1.168 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354713197 296310773 /nfs/dbraw/zinc/31/07/73/296310773.db2.gz QKHBYHTZBYNPPV-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000414867982 250871533 /nfs/dbraw/zinc/87/15/33/250871533.db2.gz GXDCCZBSSHKOSS-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000416011699 251046053 /nfs/dbraw/zinc/04/60/53/251046053.db2.gz QBPVGZFISNYJDA-CQSZACIVSA-N 2 0 334.464 1.715 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262245474 139263251 /nfs/dbraw/zinc/26/32/51/139263251.db2.gz PLQYHJUQIYSECI-HLIPFELVSA-N 2 0 349.519 1.853 20 0 EDADRP C[N@H+](CCCNC(=O)NCCCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000416877905 251116133 /nfs/dbraw/zinc/11/61/33/251116133.db2.gz VHJIYFYXHZYXSM-UHFFFAOYSA-N 2 0 347.507 1.103 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000417006402 251128124 /nfs/dbraw/zinc/12/81/24/251128124.db2.gz FPMNZRLXWNHPOT-RYUDHWBXSA-N 2 0 332.420 1.647 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000417010037 251128333 /nfs/dbraw/zinc/12/83/33/251128333.db2.gz OJEKAVMLGVVUIF-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)Cc1ccccc1 ZINC000417007523 251128742 /nfs/dbraw/zinc/12/87/42/251128742.db2.gz LAMXMBHNBYNWRY-QZTJIDSGSA-N 2 0 332.492 1.976 20 0 EDADRP [NH3+]CC[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417013595 251132241 /nfs/dbraw/zinc/13/22/41/251132241.db2.gz YURYDGKPRRRQBX-INIZCTEOSA-N 2 0 330.476 1.815 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000416996692 251123314 /nfs/dbraw/zinc/12/33/14/251123314.db2.gz UUYCULNXNVJCKE-CABCVRRESA-N 2 0 336.480 1.942 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417087856 251140671 /nfs/dbraw/zinc/14/06/71/251140671.db2.gz IFXJRAKMKWOLPP-HNNXBMFYSA-N 2 0 328.501 1.502 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000417204075 251146168 /nfs/dbraw/zinc/14/61/68/251146168.db2.gz ZRFSTDLGTCGSGH-SQNIBIBYSA-N 2 0 332.492 1.976 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000175710124 207152381 /nfs/dbraw/zinc/15/23/81/207152381.db2.gz KEWJZEDYXISXFV-SFHVURJKSA-N 2 0 330.476 1.653 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000262406973 139276855 /nfs/dbraw/zinc/27/68/55/139276855.db2.gz QEUJRUMHUNLFAP-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[NH2+]C2)[C@H](C)C1 ZINC000417667393 251220685 /nfs/dbraw/zinc/22/06/85/251220685.db2.gz GRIBJLVQQUXYSY-IKGGRYGDSA-N 2 0 340.512 1.565 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000417670619 251222002 /nfs/dbraw/zinc/22/20/02/251222002.db2.gz OMXLUVSPYBBFMB-PMPSAXMXSA-N 2 0 326.485 1.175 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417674582 251224289 /nfs/dbraw/zinc/22/42/89/251224289.db2.gz ZVSUKLXEFGPTQI-OTWHNJEPSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000417723809 251242782 /nfs/dbraw/zinc/24/27/82/251242782.db2.gz CNIWZZSPADGAJX-JKSUJKDBSA-N 2 0 333.480 1.186 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417829546 251288985 /nfs/dbraw/zinc/28/89/85/251288985.db2.gz AGCKKBVYNUHPIM-HNNXBMFYSA-N 2 0 326.485 1.163 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000417847060 251295116 /nfs/dbraw/zinc/29/51/16/251295116.db2.gz YYQCTVYNXGIZGT-GOEBONIOSA-N 2 0 342.447 1.022 20 0 EDADRP CC[C@H](NC(=O)NCCC[NH2+]C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000417887625 251314052 /nfs/dbraw/zinc/31/40/52/251314052.db2.gz IGQDGMKSFBRQFV-ZWKOTPCHSA-N 2 0 348.491 1.575 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418077397 251320235 /nfs/dbraw/zinc/32/02/35/251320235.db2.gz STOKOINEXUEOHL-YQQAZPJKSA-N 2 0 334.464 1.312 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)CCC(F)(F)F ZINC000418080523 251321617 /nfs/dbraw/zinc/32/16/17/251321617.db2.gz RZZOJNHKCRVMFB-AWEZNQCLSA-N 2 0 336.402 1.656 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111281 251326728 /nfs/dbraw/zinc/32/67/28/251326728.db2.gz GRLPPHNJZPWCMR-NVXWUHKLSA-N 2 0 340.512 1.694 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418424574 251366382 /nfs/dbraw/zinc/36/63/82/251366382.db2.gz GWGLFKMYRIKAKC-ZWKOTPCHSA-N 2 0 348.491 1.829 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC([NH3+])(CC)CC ZINC000418436567 251370441 /nfs/dbraw/zinc/37/04/41/251370441.db2.gz IQALXAINAHQDPT-MRXNPFEDSA-N 3 0 341.544 1.561 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318152 251360626 /nfs/dbraw/zinc/36/06/26/251360626.db2.gz NNDVUJLARAOETR-GBESFXJTSA-N 2 0 342.487 1.759 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(F)F ZINC000418719170 251396354 /nfs/dbraw/zinc/39/63/54/251396354.db2.gz UQQREZQOWFYYIN-HZSPNIEDSA-N 2 0 326.391 1.353 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262570973 139287449 /nfs/dbraw/zinc/28/74/49/139287449.db2.gz SIAZBJIZVPHAGN-GOSISDBHSA-N 2 0 331.460 1.454 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000262633337 139291678 /nfs/dbraw/zinc/29/16/78/139291678.db2.gz GIGKMHIFHQIPKS-LPHOPBHVSA-N 2 0 344.503 1.568 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262651600 139293178 /nfs/dbraw/zinc/29/31/78/139293178.db2.gz RELKWSREVDZEIW-RTBURBONSA-N 2 0 344.503 1.438 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262662197 139294269 /nfs/dbraw/zinc/29/42/69/139294269.db2.gz YVKMPZBJPZXMMU-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262665439 139294647 /nfs/dbraw/zinc/29/46/47/139294647.db2.gz JQWBDHQJBFHYTR-APWZRJJASA-N 2 0 345.487 1.893 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000262881008 139310152 /nfs/dbraw/zinc/31/01/52/139310152.db2.gz VZMTVMQYZRRTQJ-AEFFLSMTSA-N 2 0 330.476 1.313 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccnc2N(C)C)CC[NH2+]CC1 ZINC000422871128 252006963 /nfs/dbraw/zinc/00/69/63/252006963.db2.gz ZVMMTPRQDFHBMT-AWEZNQCLSA-N 2 0 334.464 1.559 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422891250 252014067 /nfs/dbraw/zinc/01/40/67/252014067.db2.gz UXPUTQDUXCKNJR-YJBOKZPZSA-N 3 0 332.492 1.601 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000422860493 252003728 /nfs/dbraw/zinc/00/37/28/252003728.db2.gz MORCQORESUMXKE-CJNGLKHVSA-N 2 0 326.462 1.447 20 0 EDADRP Cc1cccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N2CCOCC2)c1 ZINC000422868081 252005212 /nfs/dbraw/zinc/00/52/12/252005212.db2.gz UHMDQJWVQMVKRM-FFGOWVMKSA-N 2 0 347.503 1.710 20 0 EDADRP COc1cc(C)c(C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1OC ZINC000423183559 252044713 /nfs/dbraw/zinc/04/47/13/252044713.db2.gz LCOKOARSYHERFK-INIZCTEOSA-N 2 0 335.492 1.828 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352267 252051273 /nfs/dbraw/zinc/05/12/73/252051273.db2.gz AEOOBLXAXBOAFD-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422911109 252020243 /nfs/dbraw/zinc/02/02/43/252020243.db2.gz SFLIFXVBKJOCFM-RTBURBONSA-N 2 0 346.519 1.988 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913364 252020308 /nfs/dbraw/zinc/02/03/08/252020308.db2.gz PVKUFSVBQRHQLI-MOPGFXCFSA-N 3 0 344.503 1.729 20 0 EDADRP COC(=O)C1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424025127 252118175 /nfs/dbraw/zinc/11/81/75/252118175.db2.gz YEQTZNIIIJEGLR-UHFFFAOYSA-N 2 0 345.443 1.049 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000423789998 252076079 /nfs/dbraw/zinc/07/60/79/252076079.db2.gz UCZHFPWLFSDBHH-MQVJKMGUSA-N 2 0 329.444 1.810 20 0 EDADRP O=C([C@H]1C[C@@]12CC[NH2+]C2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423798432 252079812 /nfs/dbraw/zinc/07/98/12/252079812.db2.gz OTQBIOMBVUAKNV-IEBWSBKVSA-N 2 0 335.492 1.337 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423802061 252080833 /nfs/dbraw/zinc/08/08/33/252080833.db2.gz UUUPAYOSMDYWCS-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423804509 252083386 /nfs/dbraw/zinc/08/33/86/252083386.db2.gz YCJUISYAQNEMRL-NVXWUHKLSA-N 2 0 325.497 1.711 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)CN1CC[NH+](C)CC1 ZINC000424160804 252149782 /nfs/dbraw/zinc/14/97/82/252149782.db2.gz UYBAIRNDORLZAH-ZDUSSCGKSA-N 2 0 341.402 1.981 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1 ZINC000424226772 252171160 /nfs/dbraw/zinc/17/11/60/252171160.db2.gz SKUNRWGZKIAHMO-GOSISDBHSA-N 2 0 339.443 1.658 20 0 EDADRP [NH3+]C[C@@H](CN1CCN(CC(=O)N2CCCC2)CC1)c1ccc(F)cc1 ZINC000424307745 252193868 /nfs/dbraw/zinc/19/38/68/252193868.db2.gz YGZUZVAAKCLRSM-KRWDZBQOSA-N 2 0 348.466 1.108 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424444639 252234531 /nfs/dbraw/zinc/23/45/31/252234531.db2.gz DBNLYRUQXBIAIR-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000424479927 252248467 /nfs/dbraw/zinc/24/84/67/252248467.db2.gz PMROFVAHWFQJNH-LSDHHAIUSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000111856802 285024382 /nfs/dbraw/zinc/02/43/82/285024382.db2.gz UTFHJPQOJCYHFU-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000111865226 285033558 /nfs/dbraw/zinc/03/35/58/285033558.db2.gz XQYITSVQCJJQCX-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000263182021 139327011 /nfs/dbraw/zinc/32/70/11/139327011.db2.gz GUVRMDSRFRPYFD-SMDDNHRTSA-N 2 0 336.233 1.667 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000263228812 139329574 /nfs/dbraw/zinc/32/95/74/139329574.db2.gz HJRJSMBHGFZMFA-UONOGXRCSA-N 2 0 325.478 1.611 20 0 EDADRP Cc1[nH]nc2ncc(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)cc12 ZINC000570144015 306530987 /nfs/dbraw/zinc/53/09/87/306530987.db2.gz ZGMDMWRCSIGDBO-CYBMUJFWSA-N 2 0 342.369 1.192 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000492593313 255181836 /nfs/dbraw/zinc/18/18/36/255181836.db2.gz KEJIAXKLUGBMHA-TWVNLXSWSA-N 2 0 331.460 1.377 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000495122120 255269438 /nfs/dbraw/zinc/26/94/38/255269438.db2.gz XBUAHRUBIKZECN-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNCC(F)(F)F ZINC000353730073 285276524 /nfs/dbraw/zinc/27/65/24/285276524.db2.gz OZBHRWUSIWRAGJ-ZDUSSCGKSA-N 2 0 338.418 1.013 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1O ZINC000427103218 285281814 /nfs/dbraw/zinc/28/18/14/285281814.db2.gz VDDJIXAQSULJKJ-HNNXBMFYSA-N 2 0 334.464 1.584 20 0 EDADRP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@@H](c1ccccc1)[NH+](C)C ZINC000570823934 306551659 /nfs/dbraw/zinc/55/16/59/306551659.db2.gz NZAMKSPOWHTWDG-YJBOKZPZSA-N 2 0 343.475 1.866 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000415923636 304285623 /nfs/dbraw/zinc/28/56/23/304285623.db2.gz WVPGGAWBTDLIDN-KRWDZBQOSA-N 2 0 334.464 1.764 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416140190 304291090 /nfs/dbraw/zinc/29/10/90/304291090.db2.gz ZMTMGLGTWYMNJY-UHFFFAOYSA-N 2 0 333.476 1.519 20 0 EDADRP O=C(CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)Nc1ccccc1 ZINC000571431197 306565679 /nfs/dbraw/zinc/56/56/79/306565679.db2.gz BHOJCMQGHNBUGZ-DFNIBXOVSA-N 2 0 342.487 1.962 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21)c1ccccc1 ZINC000416237847 304298943 /nfs/dbraw/zinc/29/89/43/304298943.db2.gz CTWXWXKEVVKMFB-BZSNNMDCSA-N 2 0 331.460 1.611 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000416244435 304300140 /nfs/dbraw/zinc/30/01/40/304300140.db2.gz VVKNUVPMBCEMEJ-QZTJIDSGSA-N 2 0 333.476 1.642 20 0 EDADRP C[C@]1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000270382751 140089987 /nfs/dbraw/zinc/08/99/87/140089987.db2.gz WJBKHKNHBZLOST-SFHVURJKSA-N 2 0 347.463 1.072 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)CS(=O)(=O)c1ccccc1 ZINC000271810309 140354357 /nfs/dbraw/zinc/35/43/57/140354357.db2.gz NASQBDORJZNMMZ-HZPDHXFCSA-N 2 0 342.505 1.795 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]3[NH3+])c(C(F)(F)F)c2)CC1 ZINC000572004043 306579521 /nfs/dbraw/zinc/57/95/21/306579521.db2.gz VTRYXQXUAJNHKE-YPMHNXCESA-N 2 0 342.365 1.743 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000332052960 141115607 /nfs/dbraw/zinc/11/56/07/141115607.db2.gz YHQWDUXRFWKLIM-XHSDSOJGSA-N 2 0 340.512 1.502 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332138609 141129586 /nfs/dbraw/zinc/12/95/86/141129586.db2.gz LRXFQDISAXRZEC-ORQFMDKSSA-N 2 0 334.439 1.779 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000332610478 141214357 /nfs/dbraw/zinc/21/43/57/141214357.db2.gz AGYXAADWEIKZDP-XWTMOSNGSA-N 2 0 330.476 1.996 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000333110678 141265784 /nfs/dbraw/zinc/26/57/84/141265784.db2.gz SAEODDFRWDOEOM-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000333448053 141318566 /nfs/dbraw/zinc/31/85/66/141318566.db2.gz XCMXGFXCNNMHGM-OAHLLOKOSA-N 2 0 340.537 1.789 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333672672 141354211 /nfs/dbraw/zinc/35/42/11/141354211.db2.gz NKPIRGZKBRLSMR-DOTOQJQBSA-N 2 0 338.496 1.128 20 0 EDADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000333734399 141369088 /nfs/dbraw/zinc/36/90/88/141369088.db2.gz WQUKHEDQPMSHGS-DOTOQJQBSA-N 2 0 348.466 1.912 20 0 EDADRP Cc1ccc(CCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000339407836 142039964 /nfs/dbraw/zinc/03/99/64/142039964.db2.gz PAMGIXHQGNNLKB-RBUKOAKNSA-N 2 0 344.503 1.903 20 0 EDADRP C[C@H](CC1CCOCC1)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345165249 143060157 /nfs/dbraw/zinc/06/01/57/143060157.db2.gz MJQGLMONYZISHE-MRXNPFEDSA-N 2 0 339.524 1.829 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CC1 ZINC000345552910 143104947 /nfs/dbraw/zinc/10/49/47/143104947.db2.gz VEADYLZRTBJHQT-UHFFFAOYSA-N 2 0 346.475 1.906 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346211182 143179229 /nfs/dbraw/zinc/17/92/29/143179229.db2.gz BSSQOJPFNQVYIW-HZPDHXFCSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000346378180 143198554 /nfs/dbraw/zinc/19/85/54/143198554.db2.gz RTEQKXAFAYJBFJ-DLBZAZTESA-N 2 0 345.491 1.193 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)[C@H]1CCC[NH2+]1 ZINC000346686815 143231938 /nfs/dbraw/zinc/23/19/38/143231938.db2.gz UPGIUZUJLYRDHM-GOEBONIOSA-N 2 0 345.443 1.496 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347015457 143271730 /nfs/dbraw/zinc/27/17/30/143271730.db2.gz JKGDNKCOWKMDNT-CYBMUJFWSA-N 2 0 347.488 1.560 20 0 EDADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000347213667 143295515 /nfs/dbraw/zinc/29/55/15/143295515.db2.gz PYXJMLIZVIUUFM-MRXNPFEDSA-N 2 0 333.480 1.282 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000347301253 143305582 /nfs/dbraw/zinc/30/55/82/143305582.db2.gz MATAALJLVVGSOV-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000347858351 143371113 /nfs/dbraw/zinc/37/11/13/143371113.db2.gz HBTAQFOLHZCJCW-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000347883136 143374548 /nfs/dbraw/zinc/37/45/48/143374548.db2.gz BWVFUTUMTWLYJJ-INIZCTEOSA-N 2 0 331.460 1.936 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573090441 306611468 /nfs/dbraw/zinc/61/14/68/306611468.db2.gz IGDBZFDPQVFZFI-HNNXBMFYSA-N 2 0 334.464 1.547 20 0 EDADRP Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@@H]([NH+](C)C)C3)C2)nc(C)n1 ZINC000369775170 155170287 /nfs/dbraw/zinc/17/02/87/155170287.db2.gz WZBBVDKTGPNDPA-HZPDHXFCSA-N 2 0 346.479 1.408 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369779413 155172724 /nfs/dbraw/zinc/17/27/24/155172724.db2.gz VYNMUCROKPFCFM-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416842816 304351021 /nfs/dbraw/zinc/35/10/21/304351021.db2.gz KEEZEWNBBSYCKR-CRAIPNDOSA-N 2 0 348.491 1.987 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846834 304351753 /nfs/dbraw/zinc/35/17/53/304351753.db2.gz UQDJZNNAWPFWCH-HKUYNNGSSA-N 2 0 346.475 1.329 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C[C@H]1CC ZINC000353431672 286085933 /nfs/dbraw/zinc/08/59/33/286085933.db2.gz RHYMQESSMKGGAD-ZACQAIPSSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000353087010 149280212 /nfs/dbraw/zinc/28/02/12/149280212.db2.gz LYNLBEBHVGFGCJ-INIZCTEOSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416963669 304356058 /nfs/dbraw/zinc/35/60/58/304356058.db2.gz BJZGQLCXBZBJTF-MRXNPFEDSA-N 2 0 334.464 1.378 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)cc1 ZINC000416969985 304357551 /nfs/dbraw/zinc/35/75/51/304357551.db2.gz MJDYIBIBSUSRPP-QGZVFWFLSA-N 2 0 348.491 1.897 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000416980039 304360422 /nfs/dbraw/zinc/36/04/22/304360422.db2.gz AZHXQWMZCSCHHT-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000355333692 150221950 /nfs/dbraw/zinc/22/19/50/150221950.db2.gz CKBHLRMKVYUNOA-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@H]2C1 ZINC000355337199 150222735 /nfs/dbraw/zinc/22/27/35/150222735.db2.gz FKMUFMDPUPLNFG-ROUUACIJSA-N 2 0 340.427 1.808 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417027656 304362234 /nfs/dbraw/zinc/36/22/34/304362234.db2.gz UFCLGFGQBKSMLV-SFHVURJKSA-N 2 0 347.507 1.231 20 0 EDADRP C[NH2+]CCCNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417032794 304363234 /nfs/dbraw/zinc/36/32/34/304363234.db2.gz YPBHZTYUEOKMJH-UHFFFAOYSA-N 2 0 347.507 1.103 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)[C@@H](C[NH3+])C1 ZINC000417042656 304365133 /nfs/dbraw/zinc/36/51/33/304365133.db2.gz LUUKIMNNGKEBPI-GVDBMIGSSA-N 2 0 340.512 1.789 20 0 EDADRP C[C@@H](C(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000357580163 151073548 /nfs/dbraw/zinc/07/35/48/151073548.db2.gz TZJGSTBPWROJSX-HKUYNNGSSA-N 2 0 347.503 1.716 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000357673038 151110495 /nfs/dbraw/zinc/11/04/95/151110495.db2.gz KKPKBOGJTLVIRZ-NXHRZFHOSA-N 2 0 347.503 1.905 20 0 EDADRP C[C@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+]1CC(C)C1 ZINC000573815801 306635801 /nfs/dbraw/zinc/63/58/01/306635801.db2.gz XSSULGLXJOBFTK-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049397 151247440 /nfs/dbraw/zinc/24/74/40/151247440.db2.gz RSAFAZAGGHLQHR-DNVCBOLYSA-N 2 0 344.503 1.550 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)C2CCN(CC(F)F)CC2)C[C@@H](C)O1 ZINC000358081724 151263509 /nfs/dbraw/zinc/26/35/09/151263509.db2.gz LXPIWJARIRAHRS-ZIAGYGMSSA-N 2 0 347.450 1.579 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358277417 151324731 /nfs/dbraw/zinc/32/47/31/151324731.db2.gz SUBXHTQOSRGXNY-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000358315690 151334370 /nfs/dbraw/zinc/33/43/70/151334370.db2.gz QMEJKIXSOUQOHP-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000358317083 151335582 /nfs/dbraw/zinc/33/55/82/151335582.db2.gz KDUNTFBDPYSWGW-UAGQMJEPSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)C[NH+]1CCCC1 ZINC000360397975 152021562 /nfs/dbraw/zinc/02/15/62/152021562.db2.gz QCJKTWMTLXSEIX-HOCLYGCPSA-N 2 0 328.526 1.455 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC(C[NH+]3CCCC3)CC2)C1(C)C ZINC000186723960 286305174 /nfs/dbraw/zinc/30/51/74/286305174.db2.gz DPHNXADYWUUESM-VQIMIIECSA-N 2 0 337.508 1.853 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000360789600 152206057 /nfs/dbraw/zinc/20/60/57/152206057.db2.gz VWMJDAMOSNQRIE-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@@](C)(O)Cc2ccccc2)CC1 ZINC000360896456 152244405 /nfs/dbraw/zinc/24/44/05/152244405.db2.gz HBLGVHKXXFLUOU-IBGZPJMESA-N 2 0 333.476 1.122 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(OCC[NH+](C)C)CC2)n(C)c1C ZINC000361178051 152326776 /nfs/dbraw/zinc/32/67/76/152326776.db2.gz KEUKZYFWXUDGBX-UHFFFAOYSA-N 2 0 337.464 1.663 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCCOCC2)[C@@H](C)C1 ZINC000361337852 152365807 /nfs/dbraw/zinc/36/58/07/152365807.db2.gz YXJANIBNSBCOHO-ROUUACIJSA-N 2 0 327.513 1.435 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000362079297 152606872 /nfs/dbraw/zinc/60/68/72/152606872.db2.gz TXYYOUORGLZQCQ-HZPDHXFCSA-N 2 0 338.496 1.080 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564611 152745444 /nfs/dbraw/zinc/74/54/44/152745444.db2.gz MJXWAFIPOWZNID-OAHLLOKOSA-N 2 0 345.491 1.871 20 0 EDADRP CCCN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000417178419 304380981 /nfs/dbraw/zinc/38/09/81/304380981.db2.gz DPFHQENSUZTUEZ-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1cccnc1 ZINC000364063954 153135433 /nfs/dbraw/zinc/13/54/33/153135433.db2.gz BDDZVAIBQHPNEW-ZWKOTPCHSA-N 2 0 332.492 1.917 20 0 EDADRP CN(C)C(=O)c1c[nH]nc1[C@H]1CCCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000364787803 153334600 /nfs/dbraw/zinc/33/46/00/153334600.db2.gz IDPLJLLSQNNJCZ-GJZGRUSLSA-N 2 0 333.480 1.775 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417198290 304383905 /nfs/dbraw/zinc/38/39/05/304383905.db2.gz RBWQJFIDLBRROL-GJZGRUSLSA-N 2 0 340.418 1.456 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N2CCOCC2)cc1 ZINC000422770320 286373137 /nfs/dbraw/zinc/37/31/37/286373137.db2.gz WBHLNXJXSHIVIH-UHOSZYNNSA-N 2 0 333.476 1.786 20 0 EDADRP O=C(NCc1cnc2n1CCCC2)[C@H]1COCCN1C1CCCC1 ZINC000367649754 154212375 /nfs/dbraw/zinc/21/23/75/154212375.db2.gz XCYAHVVOFWVQOQ-MRXNPFEDSA-N 2 0 332.448 1.479 20 0 EDADRP C[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000417345873 304393461 /nfs/dbraw/zinc/39/34/61/304393461.db2.gz VAABKYNEXIMROV-IUODEOHRSA-N 2 0 340.418 1.715 20 0 EDADRP C[NH+](C)CCN1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000369026782 154830979 /nfs/dbraw/zinc/83/09/79/154830979.db2.gz LBARYENFBFEYNG-UHFFFAOYSA-N 2 0 347.507 1.849 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417358605 304394898 /nfs/dbraw/zinc/39/48/98/304394898.db2.gz HSNKVELPEIBTBU-GOEBONIOSA-N 2 0 334.464 1.424 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000371730340 156079712 /nfs/dbraw/zinc/07/97/12/156079712.db2.gz RLAISIQMDOJKEG-KRWDZBQOSA-N 2 0 347.507 1.831 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000417529741 304403574 /nfs/dbraw/zinc/40/35/74/304403574.db2.gz RIAQORLWUQSLBK-KRWDZBQOSA-N 2 0 348.491 1.468 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)CC1 ZINC000374731286 157380800 /nfs/dbraw/zinc/38/08/00/157380800.db2.gz JJIKQPAEMSZYNO-MRXNPFEDSA-N 2 0 338.496 1.391 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000377932584 158032558 /nfs/dbraw/zinc/03/25/58/158032558.db2.gz NFAVEYZGYJFART-PBHICJAKSA-N 2 0 329.460 1.426 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)C3CC[NH2+]CC3)CCCCCC2)CC1 ZINC000378199592 158106520 /nfs/dbraw/zinc/10/65/20/158106520.db2.gz AOSCGVOAXXFWPZ-UHFFFAOYSA-N 2 0 336.524 1.443 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000378204902 158109361 /nfs/dbraw/zinc/10/93/61/158109361.db2.gz WJKHXVVKHSVARD-FUHWJXTLSA-N 2 0 333.476 1.893 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000378297713 158132366 /nfs/dbraw/zinc/13/23/66/158132366.db2.gz FVUSFPPOEWRJRH-HZPDHXFCSA-N 2 0 343.537 1.431 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000378431720 158171091 /nfs/dbraw/zinc/17/10/91/158171091.db2.gz FPPKFFXASNZKIQ-LPHOPBHVSA-N 2 0 335.467 1.819 20 0 EDADRP COCC1(CNC(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000417932788 304433833 /nfs/dbraw/zinc/43/38/33/304433833.db2.gz NMZBFOGNPXUSLR-UHFFFAOYSA-N 2 0 340.512 1.422 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)C[NH+]1CCCCC1 ZINC000419798326 286856370 /nfs/dbraw/zinc/85/63/70/286856370.db2.gz ABCSMSRKRRRGMY-HNNXBMFYSA-N 2 0 338.496 1.002 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000352149669 162014518 /nfs/dbraw/zinc/01/45/18/162014518.db2.gz UPZKUJIHXVWEMU-HOTGVXAUSA-N 2 0 328.501 1.373 20 0 EDADRP CC[N@@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)C[C@@H](C)O ZINC000352231187 162062292 /nfs/dbraw/zinc/06/22/92/162062292.db2.gz PVPPWSGGOCTLDW-QGZVFWFLSA-N 2 0 347.503 1.778 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000352258076 162078815 /nfs/dbraw/zinc/07/88/15/162078815.db2.gz SKPIMVPPWZSMCD-MRXNPFEDSA-N 2 0 341.521 1.768 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000366431579 162382479 /nfs/dbraw/zinc/38/24/79/162382479.db2.gz LHDUGPRFGVVMAR-INIZCTEOSA-N 2 0 343.537 1.799 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H]2CCC[N@@H+]2CC)CC1 ZINC000074493817 287271151 /nfs/dbraw/zinc/27/11/51/287271151.db2.gz LNRSLFYSKBNRSU-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261863980 287274959 /nfs/dbraw/zinc/27/49/59/287274959.db2.gz SLNWKBNDMVPMAG-JFIYKMOQSA-N 2 0 337.508 1.853 20 0 EDADRP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)C[NH+]1CCCCC1 ZINC000079689547 287302219 /nfs/dbraw/zinc/30/22/19/287302219.db2.gz FECSPDCQKFVONT-QGZVFWFLSA-N 2 0 340.512 1.520 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418301686 304477262 /nfs/dbraw/zinc/47/72/62/304477262.db2.gz ZAECPAAWOKVDKI-HNNXBMFYSA-N 2 0 326.485 1.040 20 0 EDADRP C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000121334070 287370286 /nfs/dbraw/zinc/37/02/86/287370286.db2.gz QFULSKRUHGVPCJ-IRXDYDNUSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCN2CCN(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000121545220 287372226 /nfs/dbraw/zinc/37/22/26/287372226.db2.gz UDFGACBUKZNCQE-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000123176655 287386038 /nfs/dbraw/zinc/38/60/38/287386038.db2.gz CMZYSXKEPAPDJT-OAGGEKHMSA-N 2 0 340.512 1.658 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)(C)C ZINC000168986129 226230353 /nfs/dbraw/zinc/23/03/53/226230353.db2.gz NPLXKQWNBPJEMS-OAHLLOKOSA-N 2 0 336.484 1.299 20 0 EDADRP C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333661932 289822078 /nfs/dbraw/zinc/82/20/78/289822078.db2.gz LROHRJCUMXKOGR-RDJZCZTQSA-N 2 0 338.496 1.128 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[C@@H]1CCSC1 ZINC000122570416 222115568 /nfs/dbraw/zinc/11/55/68/222115568.db2.gz XGZXDSAJNHGKCB-HZPDHXFCSA-N 2 0 325.522 1.804 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000237260336 273008667 /nfs/dbraw/zinc/00/86/67/273008667.db2.gz LPJCGNCGMZAPGI-KRWDZBQOSA-N 2 0 331.460 1.590 20 0 EDADRP [NH3+]CC1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1 ZINC000238049312 273013888 /nfs/dbraw/zinc/01/38/88/273013888.db2.gz BEPFANPAOOHNPO-UHFFFAOYSA-N 2 0 325.522 1.983 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273298496 268018900 /nfs/dbraw/zinc/01/89/00/268018900.db2.gz ZFANDZCQHFQRMM-UHFFFAOYSA-N 2 0 332.448 1.518 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000274491933 268150595 /nfs/dbraw/zinc/15/05/95/268150595.db2.gz KEJIAXKLUGBMHA-OPUMOTSWSA-N 2 0 331.460 1.377 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[N@H+](C)C1CC1 ZINC000275445683 268344142 /nfs/dbraw/zinc/34/41/42/268344142.db2.gz KXFQLNOSVCXHAN-CQSZACIVSA-N 2 0 346.475 1.328 20 0 EDADRP CC(=O)OC(C)(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275495169 268351153 /nfs/dbraw/zinc/35/11/53/268351153.db2.gz ZXLJYQORCIUHTF-UHFFFAOYSA-N 2 0 348.447 1.052 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275510000 268352792 /nfs/dbraw/zinc/35/27/92/268352792.db2.gz SKKIPULJNWQSNU-UHFFFAOYSA-N 2 0 334.464 1.187 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277279772 273186722 /nfs/dbraw/zinc/18/67/22/273186722.db2.gz IDYIYESABQYKTG-OPUMOTSWSA-N 2 0 331.460 1.512 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000155624034 287662850 /nfs/dbraw/zinc/66/28/50/287662850.db2.gz KEBLWMNZFYRKCG-UHFFFAOYSA-N 2 0 348.491 1.759 20 0 EDADRP C[C@@H](O)C[NH+]1CCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000284225608 274123648 /nfs/dbraw/zinc/12/36/48/274123648.db2.gz USPVNXZKHXHMQE-UYAOXDASSA-N 2 0 347.503 1.276 20 0 EDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000358914965 274894951 /nfs/dbraw/zinc/89/49/51/274894951.db2.gz NFFCWSZUOKXKOF-QGZVFWFLSA-N 2 0 340.475 1.734 20 0 EDADRP CCC[C@H](C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[NH+](C)C ZINC000367285359 276037512 /nfs/dbraw/zinc/03/75/12/276037512.db2.gz JXMCSIRAAJRQCA-GOSISDBHSA-N 2 0 338.540 1.734 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414901181 276109349 /nfs/dbraw/zinc/10/93/49/276109349.db2.gz INWCXPVHFQCUDV-HUUCEWRRSA-N 2 0 346.475 1.835 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000357279577 276132635 /nfs/dbraw/zinc/13/26/35/276132635.db2.gz YYZJBVSSPXSZER-DOTOQJQBSA-N 2 0 336.480 1.291 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCN2CCC([NH+](C)C)CC2)C[C@H]1C ZINC000346278051 276239122 /nfs/dbraw/zinc/23/91/22/276239122.db2.gz PJMIXIXWKXUJKR-HZPDHXFCSA-N 2 0 339.528 1.137 20 0 EDADRP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000354331980 276273021 /nfs/dbraw/zinc/27/30/21/276273021.db2.gz GNNWHUSOUJOEMR-HJOIGYKYSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372488139 276326634 /nfs/dbraw/zinc/32/66/34/276326634.db2.gz XKVQZANYGPXJIO-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(N(C)C)cn1 ZINC000444160548 276370889 /nfs/dbraw/zinc/37/08/89/276370889.db2.gz ZDHHTPMIFGLHAJ-QGZVFWFLSA-N 2 0 347.507 1.636 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000417942501 277166291 /nfs/dbraw/zinc/16/62/91/277166291.db2.gz OBUYEHAVOMVPMC-MHORFTMASA-N 2 0 328.460 1.683 20 0 EDADRP CC(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000333233242 277693931 /nfs/dbraw/zinc/69/39/31/277693931.db2.gz CKEOXDFWYZJAJF-HPFXQQBRSA-N 2 0 337.508 1.815 20 0 EDADRP CC(C)[C@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000122369233 277865655 /nfs/dbraw/zinc/86/56/55/277865655.db2.gz PNCWOJNRDVVYLV-BRWVUGGUSA-N 2 0 325.497 1.457 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000364721650 278869687 /nfs/dbraw/zinc/86/96/87/278869687.db2.gz BFDBPOUHRXJZDB-GPMSIDNRSA-N 2 0 337.508 1.756 20 0 EDADRP CC(C)C[C@H](NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C(=O)NCC[NH+](C)C ZINC000340407762 279184578 /nfs/dbraw/zinc/18/45/78/279184578.db2.gz WPZOQRAAZBRKGW-JYJNAYRXSA-N 2 0 340.512 1.068 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH2+]C[C@H]1c1nccn1C ZINC000262068671 279186058 /nfs/dbraw/zinc/18/60/58/279186058.db2.gz RVCXCRPQUUWOMP-KRWDZBQOSA-N 2 0 337.431 1.456 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000423345215 279345963 /nfs/dbraw/zinc/34/59/63/279345963.db2.gz NUAVSCMKORNMJY-CABCVRRESA-N 2 0 333.480 1.349 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341093474 279357369 /nfs/dbraw/zinc/35/73/69/279357369.db2.gz VGPUGPDVWIBOSB-UHFFFAOYSA-N 2 0 332.492 1.725 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCO1 ZINC000346607221 279466706 /nfs/dbraw/zinc/46/67/06/279466706.db2.gz OIFHCMAOHXXALI-DLBZAZTESA-N 2 0 333.480 1.536 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114319 288162572 /nfs/dbraw/zinc/16/25/72/288162572.db2.gz LNXPNDJFZUMLSA-ZBFHGGJFSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000287189093 288176425 /nfs/dbraw/zinc/17/64/25/288176425.db2.gz PYSJSICJQJDRBX-DOTOQJQBSA-N 2 0 334.464 1.137 20 0 EDADRP CC[C@@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)[NH+](CC)CC ZINC000359208602 280066548 /nfs/dbraw/zinc/06/65/48/280066548.db2.gz CFPSGWXGMJRASL-WBVHZDCISA-N 2 0 327.513 1.658 20 0 EDADRP CC[C@@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000422779632 280186529 /nfs/dbraw/zinc/18/65/29/280186529.db2.gz GCZSTBKNIPDBMR-CABCVRRESA-N 2 0 336.480 1.751 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000076307178 280323238 /nfs/dbraw/zinc/32/32/38/280323238.db2.gz MLKFURJFEJFODX-WBVHZDCISA-N 2 0 325.497 1.770 20 0 EDADRP CC1(C)Cc2cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])ccc2O1 ZINC000420459677 281370506 /nfs/dbraw/zinc/37/05/06/281370506.db2.gz RDNVVKNTNCJTGG-UHFFFAOYSA-N 2 0 341.477 1.088 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000291259988 289026777 /nfs/dbraw/zinc/02/67/77/289026777.db2.gz NGJKRXQUYQQQBT-AWEZNQCLSA-N 2 0 337.468 1.161 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000127816430 289690543 /nfs/dbraw/zinc/69/05/43/289690543.db2.gz ZKNMATOBYODHBE-CABCVRRESA-N 2 0 339.505 1.377 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418596978 304516479 /nfs/dbraw/zinc/51/64/79/304516479.db2.gz ZJBGWEWKGUKODW-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418602429 304517463 /nfs/dbraw/zinc/51/74/63/304517463.db2.gz MKVNXAFGCKTOQJ-UONOGXRCSA-N 2 0 333.436 1.062 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418654033 304526102 /nfs/dbraw/zinc/52/61/02/304526102.db2.gz BJVTXJURTNFNCL-IRXDYDNUSA-N 2 0 334.464 1.439 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000418841055 304539502 /nfs/dbraw/zinc/53/95/02/304539502.db2.gz GFRIPDKKJTUGOU-SJORKVTESA-N 2 0 346.475 1.054 20 0 EDADRP CN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000419803526 304686823 /nfs/dbraw/zinc/68/68/23/304686823.db2.gz DZRHQJKQSNXUDY-DLBZAZTESA-N 2 0 346.475 1.006 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419808095 304687725 /nfs/dbraw/zinc/68/77/25/304687725.db2.gz GOUKNURDBOXAQD-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755000 447322977 /nfs/dbraw/zinc/32/29/77/447322977.db2.gz GYJHXEAVGPXJMH-CRAIPNDOSA-N 2 0 339.480 1.095 20 0 EDADRP CCc1ccc2[nH+]ccc(N3CCO[C@H](CN(C)CC(N)=O)C3)c2c1 ZINC000294860263 303150573 /nfs/dbraw/zinc/15/05/73/303150573.db2.gz CXTVBTRBPLSOFB-OAHLLOKOSA-N 2 0 342.443 1.420 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CO2 ZINC000295906284 303281942 /nfs/dbraw/zinc/28/19/42/303281942.db2.gz IXDJDXGEMNSZLN-IEBWSBKVSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000298351232 303518173 /nfs/dbraw/zinc/51/81/73/303518173.db2.gz MTWTVUSDSMWTTB-KBPBESRZSA-N 2 0 334.464 1.046 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[NH+](C2CCC2)CC1 ZINC000365772325 303568445 /nfs/dbraw/zinc/56/84/45/303568445.db2.gz SVSIAHMRJTZUMX-UHFFFAOYSA-N 2 0 335.492 1.718 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000372877313 447332751 /nfs/dbraw/zinc/33/27/51/447332751.db2.gz KOLKEYOYHQYUHJ-CYJAXWMASA-N 2 0 337.508 1.709 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869577 447336723 /nfs/dbraw/zinc/33/67/23/447336723.db2.gz RKLRXDJABRADJZ-UFYCRDLUSA-N 3 0 328.504 1.392 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)cc1 ZINC000414879230 447340913 /nfs/dbraw/zinc/34/09/13/447340913.db2.gz IDVNNOWZOZCKQA-XJKSGUPXSA-N 2 0 328.416 1.118 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000422959808 304881008 /nfs/dbraw/zinc/88/10/08/304881008.db2.gz UOUCJBRAXNZMGM-SUNYJGFJSA-N 2 0 347.459 1.533 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000423137423 304888296 /nfs/dbraw/zinc/88/82/96/304888296.db2.gz WNKLKTPBCBHNHN-JKSUJKDBSA-N 2 0 340.512 1.009 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC([C@@H](C)[NH3+])CC1)C(C)C ZINC000423420438 304895372 /nfs/dbraw/zinc/89/53/72/304895372.db2.gz XBADFAPRNTWVDW-OAHLLOKOSA-N 2 0 340.512 1.149 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@@H]([NH3+])c1ccccc1 ZINC000423743663 304907493 /nfs/dbraw/zinc/90/74/93/304907493.db2.gz KIWAAPLYFIHOLF-CGTJXYLNSA-N 2 0 333.476 1.892 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034007 305004686 /nfs/dbraw/zinc/00/46/86/305004686.db2.gz BQNIGBLWVDSDDS-PBHICJAKSA-N 2 0 327.428 1.747 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627395 305059957 /nfs/dbraw/zinc/05/99/57/305059957.db2.gz NBVAZBCVANFYHB-CVEARBPZSA-N 2 0 344.459 1.157 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(N2CCCC2=O)cc1)[NH+]1CCC(C[NH3+])CC1 ZINC000430631256 305060338 /nfs/dbraw/zinc/06/03/38/305060338.db2.gz UCKPCGPHZUABBR-AWEZNQCLSA-N 2 0 344.459 1.811 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000430734360 305063561 /nfs/dbraw/zinc/06/35/61/305063561.db2.gz MKPHHELEURIRNL-WBVHZDCISA-N 2 0 331.460 1.486 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771117 305064536 /nfs/dbraw/zinc/06/45/36/305064536.db2.gz BGNULFIIJCFPAO-QUCCMNQESA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000430923563 305068409 /nfs/dbraw/zinc/06/84/09/305068409.db2.gz FZPUZZZKUGASGN-LBPRGKRZSA-N 2 0 341.402 1.963 20 0 EDADRP COCCOc1ccc(CNC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000430936571 305069183 /nfs/dbraw/zinc/06/91/83/305069183.db2.gz ZTXUIVWJKZXPLU-HNNXBMFYSA-N 2 0 349.475 1.387 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431029801 305073045 /nfs/dbraw/zinc/07/30/45/305073045.db2.gz GSUFPPGDXGNRQJ-AWEZNQCLSA-N 2 0 336.480 1.609 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000431032227 305073162 /nfs/dbraw/zinc/07/31/62/305073162.db2.gz ICHWQBSUTQAXCE-MRXNPFEDSA-N 2 0 329.444 1.182 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1ccc2c(c1)OCCCO2 ZINC000431036863 305073440 /nfs/dbraw/zinc/07/34/40/305073440.db2.gz KTAGTIRKNRVPPA-UHFFFAOYSA-N 2 0 345.443 1.862 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000433162324 305102149 /nfs/dbraw/zinc/10/21/49/305102149.db2.gz UJBWZFZORWDMCA-GOSISDBHSA-N 2 0 332.492 1.546 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(c3cccs3)CC2)CC1 ZINC000433173647 305102396 /nfs/dbraw/zinc/10/23/96/305102396.db2.gz HDBCKTWLFDESHJ-UHFFFAOYSA-N 2 0 336.505 1.600 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](CCO)[C@H]2CCCSC2)CC1 ZINC000433193076 305102681 /nfs/dbraw/zinc/10/26/81/305102681.db2.gz OIWMMZCFLCLWNI-KRWDZBQOSA-N 2 0 329.554 1.592 20 0 EDADRP C[C@@H](CNC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+](C)C1CC1 ZINC000433327861 305106036 /nfs/dbraw/zinc/10/60/36/305106036.db2.gz BFEDYXRYPKOIES-LSDHHAIUSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1[NH+](C)C ZINC000433457011 305109596 /nfs/dbraw/zinc/10/95/96/305109596.db2.gz OBTXMONPLAIKHA-BZUAXINKSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435559896 305142310 /nfs/dbraw/zinc/14/23/10/305142310.db2.gz RNMBQJRRQGWYLF-OAHLLOKOSA-N 2 0 333.480 1.231 20 0 EDADRP CC[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435629914 305144132 /nfs/dbraw/zinc/14/41/32/305144132.db2.gz VNUCDEZHXRSUSU-CQSZACIVSA-N 2 0 341.477 1.177 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000438609477 305187587 /nfs/dbraw/zinc/18/75/87/305187587.db2.gz ZIAUZXBNOMKYTP-UHFFFAOYSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000438890384 305190737 /nfs/dbraw/zinc/19/07/37/305190737.db2.gz NEJOOJIKBVRVDJ-YOEHRIQHSA-N 2 0 328.460 1.886 20 0 EDADRP CC(C)[C@@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000442968612 305232307 /nfs/dbraw/zinc/23/23/07/305232307.db2.gz SIRPWDHQFXSYFQ-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C1 ZINC000443069298 305234604 /nfs/dbraw/zinc/23/46/04/305234604.db2.gz JMEOANFWFRDCFI-AWEZNQCLSA-N 2 0 341.402 1.965 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000446582813 305267303 /nfs/dbraw/zinc/26/73/03/305267303.db2.gz AYGNGEYNXRTCHB-UHFFFAOYSA-N 2 0 336.480 1.833 20 0 EDADRP C=Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)cn1 ZINC000447819943 305286358 /nfs/dbraw/zinc/28/63/58/305286358.db2.gz DCMCVCAMXVKRAG-UHFFFAOYSA-N 2 0 326.448 1.810 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000448253063 305294491 /nfs/dbraw/zinc/29/44/91/305294491.db2.gz VIJHWMYNYHZRJA-HOTGVXAUSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449077484 305305804 /nfs/dbraw/zinc/30/58/04/305305804.db2.gz RYIUAXBIJAHHSA-HNNXBMFYSA-N 2 0 333.480 1.796 20 0 EDADRP C[C@@H]1CSC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000449121128 305307207 /nfs/dbraw/zinc/30/72/07/305307207.db2.gz GBWFSGWJYYSYMK-CVEARBPZSA-N 2 0 335.521 1.720 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000449144123 305307881 /nfs/dbraw/zinc/30/78/81/305307881.db2.gz YICGQWYYGZZXLJ-NQIIRXRSSA-N 2 0 344.547 1.917 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449342505 305312000 /nfs/dbraw/zinc/31/20/00/305312000.db2.gz BYHARWVPQIEQHP-HKUYNNGSSA-N 2 0 331.460 1.145 20 0 EDADRP O=C(N1CCC([C@@H]2CC[NH2+]C2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449534300 305313183 /nfs/dbraw/zinc/31/31/83/305313183.db2.gz GOTTVVVPUZQBEF-XLIONFOSSA-N 2 0 327.472 1.766 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625566 305356931 /nfs/dbraw/zinc/35/69/31/305356931.db2.gz QGLLRGXZZVNVGQ-AABGKKOBSA-N 2 0 329.488 1.913 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccccc1 ZINC000451624500 305357025 /nfs/dbraw/zinc/35/70/25/305357025.db2.gz NGOGOKRCZSQQSQ-OKZBNKHCSA-N 2 0 330.476 1.041 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000452381406 305395354 /nfs/dbraw/zinc/39/53/54/305395354.db2.gz JJXXARYHXSJAHV-FUHWJXTLSA-N 2 0 337.508 1.747 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000414907289 447351601 /nfs/dbraw/zinc/35/16/01/447351601.db2.gz QFLWZUJNMDMGNI-CVEARBPZSA-N 2 0 330.432 1.040 20 0 EDADRP CC(C)[NH2+]CCC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000514596027 305699960 /nfs/dbraw/zinc/69/99/60/305699960.db2.gz AGPYROFIBUJUMM-MRXNPFEDSA-N 2 0 325.478 1.689 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000515073979 305714573 /nfs/dbraw/zinc/71/45/73/305714573.db2.gz VRWYDMYFSZLPCS-UONOGXRCSA-N 2 0 345.896 1.786 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000515223157 305717307 /nfs/dbraw/zinc/71/73/07/305717307.db2.gz IKSLDTRIMXSCIS-HUUCEWRRSA-N 2 0 347.463 1.310 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000517042089 305747321 /nfs/dbraw/zinc/74/73/21/305747321.db2.gz LLMRGZCTNSNZCI-HNNXBMFYSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000458433264 447363504 /nfs/dbraw/zinc/36/35/04/447363504.db2.gz IUPJFUJUSQDLPR-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333505 447364294 /nfs/dbraw/zinc/36/42/94/447364294.db2.gz LPDVNTGHKQIXMP-IEBWSBKVSA-N 2 0 345.487 1.688 20 0 EDADRP CCC1(CC)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@H]1OC ZINC000532594750 305986466 /nfs/dbraw/zinc/98/64/66/305986466.db2.gz WKTCRVLGNWRDKF-HZPDHXFCSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000542823922 306059127 /nfs/dbraw/zinc/05/91/27/306059127.db2.gz UPOPLXJGFDAVSI-NVXWUHKLSA-N 2 0 338.496 1.029 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2C)C1 ZINC000543251035 306061852 /nfs/dbraw/zinc/06/18/52/306061852.db2.gz DMCANAKNFSQMLB-SRCQZFHVSA-N 2 0 325.416 1.675 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCO[C@@H]1C1CC1 ZINC000547363271 306099102 /nfs/dbraw/zinc/09/91/02/306099102.db2.gz VWOGYBJNVKLPJG-SJLPKXTDSA-N 2 0 340.512 1.326 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548392255 306126543 /nfs/dbraw/zinc/12/65/43/306126543.db2.gz LMEUJSILUJLRQC-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP CN(C)c1cccc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000549676560 306147367 /nfs/dbraw/zinc/14/73/67/306147367.db2.gz UOSYIMCNZNKDDZ-UHFFFAOYSA-N 2 0 334.508 1.637 20 0 EDADRP CC[NH+]1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@H](C)C1 ZINC000554752473 306197414 /nfs/dbraw/zinc/19/74/14/306197414.db2.gz BZAUDWHAUBOBIM-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000419722034 447371897 /nfs/dbraw/zinc/37/18/97/447371897.db2.gz CZBUDLXETOGXHD-LSDHHAIUSA-N 2 0 346.475 1.182 20 0 EDADRP CCCn1nc(C)c(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414964074 447376795 /nfs/dbraw/zinc/37/67/95/447376795.db2.gz BWXOVVUAQHUFLY-OAHLLOKOSA-N 2 0 347.429 1.836 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414969809 447379097 /nfs/dbraw/zinc/37/90/97/447379097.db2.gz JOUYKMOLDIZQNP-LLVKDONJSA-N 2 0 325.375 1.001 20 0 EDADRP COCC1(C[NH2+]Cc2cncc(Br)c2)CC[NH2+]CC1 ZINC000414977146 447381793 /nfs/dbraw/zinc/38/17/93/447381793.db2.gz QSTXYPFMTCFJKX-UHFFFAOYSA-N 2 0 328.254 1.950 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000415109411 447388771 /nfs/dbraw/zinc/38/87/71/447388771.db2.gz PKJVYQOERCZMDB-ZIAGYGMSSA-N 2 0 335.448 1.552 20 0 EDADRP CC[C@@H]([NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(=O)NC ZINC000449769553 447393270 /nfs/dbraw/zinc/39/32/70/447393270.db2.gz DIUQGJHFJLAGPO-QGZVFWFLSA-N 2 0 332.492 1.831 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)CCC[N@@H+]2C)cn1 ZINC000377952039 447392122 /nfs/dbraw/zinc/39/21/22/447392122.db2.gz UAQWIZRSUGZZGL-NVXWUHKLSA-N 2 0 345.491 1.548 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419762546 447399943 /nfs/dbraw/zinc/39/99/43/447399943.db2.gz LZQLMEVOYWHPNN-UHFFFAOYSA-N 2 0 326.485 1.002 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000415435394 447437206 /nfs/dbraw/zinc/43/72/06/447437206.db2.gz JJYNSIFWEHPNAI-DZGCQCFKSA-N 2 0 332.448 1.273 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000081235348 441241435 /nfs/dbraw/zinc/24/14/35/441241435.db2.gz NXISUEUCIGPNOG-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000081378019 441261570 /nfs/dbraw/zinc/26/15/70/441261570.db2.gz FDQWBCWQZWGYCU-KRWDZBQOSA-N 2 0 338.540 1.641 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000081996592 441329844 /nfs/dbraw/zinc/32/98/44/441329844.db2.gz ZAGFORNKGLNQJK-KRWDZBQOSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCn2ccnc21 ZINC000081724674 441305000 /nfs/dbraw/zinc/30/50/00/441305000.db2.gz JQMBFVUDXIAJNP-INIZCTEOSA-N 2 0 335.496 1.493 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000073427104 441315712 /nfs/dbraw/zinc/31/57/12/441315712.db2.gz VQSJKTNOSPZHSY-KRWDZBQOSA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C2)CC1 ZINC000107370537 441414263 /nfs/dbraw/zinc/41/42/63/441414263.db2.gz LKPSKZAJHWXKII-ZWKOTPCHSA-N 2 0 338.540 1.732 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457243 441442614 /nfs/dbraw/zinc/44/26/14/441442614.db2.gz ICZGFIOVQBVYLT-BBWFWOEESA-N 2 0 325.497 1.866 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000075007842 441485394 /nfs/dbraw/zinc/48/53/94/441485394.db2.gz IANMSNNMCFSEOP-INIZCTEOSA-N 2 0 327.513 1.970 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(O)CCOCC2)CC1 ZINC000088701729 441518042 /nfs/dbraw/zinc/51/80/42/441518042.db2.gz NGROMTBVLCUQMG-UHFFFAOYSA-N 2 0 347.503 1.850 20 0 EDADRP CC[N@H+](CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)C1CC1 ZINC000089344440 441539231 /nfs/dbraw/zinc/53/92/31/441539231.db2.gz MZLLXMACCJIYHD-UHFFFAOYSA-N 2 0 337.508 1.747 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)[NH+](C)C ZINC000089344728 441539362 /nfs/dbraw/zinc/53/93/62/441539362.db2.gz SXSVJKYUVIMHOA-MRXNPFEDSA-N 2 0 325.497 1.602 20 0 EDADRP C[N@H+](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCSC1 ZINC000089393252 441545125 /nfs/dbraw/zinc/54/51/25/441545125.db2.gz MBDPKXYWAOERGK-KRWDZBQOSA-N 2 0 348.516 1.852 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1 ZINC000066191109 441510806 /nfs/dbraw/zinc/51/08/06/441510806.db2.gz SMQAHWJCLIMGBJ-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000089893038 441590849 /nfs/dbraw/zinc/59/08/49/441590849.db2.gz HRCXYWHWHWYKJH-NXHRZFHOSA-N 2 0 348.491 1.261 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@H]1CC12CC[NH2+]CC2 ZINC000137186769 441753164 /nfs/dbraw/zinc/75/31/64/441753164.db2.gz OHURVYBZLNTBEN-GOSISDBHSA-N 2 0 327.472 1.941 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000068080024 441724313 /nfs/dbraw/zinc/72/43/13/441724313.db2.gz XGCBWKZQSMZPJM-KRWDZBQOSA-N 2 0 346.519 1.894 20 0 EDADRP C[C@H](CNC(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000173528682 441780642 /nfs/dbraw/zinc/78/06/42/441780642.db2.gz SJONEWREYHVZND-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP CCC[C@@H](C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1)[NH+](C)C ZINC000092430209 441798771 /nfs/dbraw/zinc/79/87/71/441798771.db2.gz RZLOICJBZQAFOQ-RDJZCZTQSA-N 2 0 337.464 1.657 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000077774235 441857506 /nfs/dbraw/zinc/85/75/06/441857506.db2.gz YABRGUNKCMQHSO-MRXNPFEDSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000077798015 441862448 /nfs/dbraw/zinc/86/24/48/441862448.db2.gz IKCUQFMNYSMORY-KRWDZBQOSA-N 3 0 341.544 1.242 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC000069028175 441880188 /nfs/dbraw/zinc/88/01/88/441880188.db2.gz OVWMPJVAIIRWTQ-UHFFFAOYSA-N 2 0 339.524 1.924 20 0 EDADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405137 441885595 /nfs/dbraw/zinc/88/55/95/441885595.db2.gz RATVZIZDPBUSMX-ZBFHGGJFSA-N 2 0 344.507 1.880 20 0 EDADRP C[C@H]1C[C@@H](N(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123438225 441887316 /nfs/dbraw/zinc/88/73/16/441887316.db2.gz WFZMBRQGXVSNDS-YOEHRIQHSA-N 2 0 346.475 1.741 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118118538 441890602 /nfs/dbraw/zinc/89/06/02/441890602.db2.gz HTBSUGQXNGLLDK-CQSZACIVSA-N 2 0 334.464 1.533 20 0 EDADRP COc1ccc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c(C)n1 ZINC000123835087 441900414 /nfs/dbraw/zinc/90/04/14/441900414.db2.gz NISJGHBGTUOFPH-UHFFFAOYSA-N 2 0 349.479 1.888 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000078501178 441938202 /nfs/dbraw/zinc/93/82/02/441938202.db2.gz FBBUDNAGMLQQDG-IYBDPMFKSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccccc1-n1cccn1 ZINC000119870412 441967785 /nfs/dbraw/zinc/96/77/85/441967785.db2.gz PMFAHQXMTNBTCW-UHFFFAOYSA-N 2 0 344.463 1.829 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000079268763 442034330 /nfs/dbraw/zinc/03/43/30/442034330.db2.gz JLUNQKXTSWBRQU-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@@H](C)N1CCOCC1 ZINC000120561150 442094684 /nfs/dbraw/zinc/09/46/84/442094684.db2.gz ROEUQKOJNDOWLV-NUWOQIAWSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)N1CCOCC1 ZINC000120561481 442094837 /nfs/dbraw/zinc/09/48/37/442094837.db2.gz ROEUQKOJNDOWLV-XNIRIUNOSA-N 2 0 340.512 1.515 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000175558464 442085319 /nfs/dbraw/zinc/08/53/19/442085319.db2.gz GBXXUGKUEGNGBI-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458670213 447446604 /nfs/dbraw/zinc/44/66/04/447446604.db2.gz XDALCIFPBQIFTE-DLBZAZTESA-N 2 0 340.512 1.397 20 0 EDADRP O=C(N[C@@H]1CCCN(c2ccccn2)C1)N1CCN(C2CC2)CC1 ZINC000164693862 442200839 /nfs/dbraw/zinc/20/08/39/442200839.db2.gz VIPFBCJOBNGLNQ-OAHLLOKOSA-N 2 0 329.448 1.540 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCNC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495135 442220008 /nfs/dbraw/zinc/22/00/08/442220008.db2.gz YNDMFGVXEWVFKR-KSZLIROESA-N 2 0 339.524 1.972 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168096601 442223143 /nfs/dbraw/zinc/22/31/43/442223143.db2.gz DGSVRYWGWPKMAM-IBGZPJMESA-N 2 0 345.487 1.548 20 0 EDADRP COCC[NH2+]CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000168514987 442224917 /nfs/dbraw/zinc/22/49/17/442224917.db2.gz PQCWYSYSKUXPPR-SJLPKXTDSA-N 2 0 333.476 1.734 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000168964386 442225243 /nfs/dbraw/zinc/22/52/43/442225243.db2.gz HRDPDXIEBHFOFQ-HOTGVXAUSA-N 2 0 333.476 1.858 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)CN2CCOCC2)[C@H](C)C1 ZINC000153189395 442266698 /nfs/dbraw/zinc/26/66/98/442266698.db2.gz ROKYCTSINSWVPN-QRVBRYPASA-N 2 0 341.540 1.681 20 0 EDADRP C[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000170920178 442288724 /nfs/dbraw/zinc/28/87/24/442288724.db2.gz LJNPKJPWEGPZMQ-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000171203215 442327606 /nfs/dbraw/zinc/32/76/06/442327606.db2.gz MNHQHDAZGBIHID-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP Cc1c(F)cccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130546611 442348838 /nfs/dbraw/zinc/34/88/38/442348838.db2.gz HLFHEDQQWYIQSO-UHFFFAOYSA-N 2 0 338.427 1.024 20 0 EDADRP CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000131259423 442368556 /nfs/dbraw/zinc/36/85/56/442368556.db2.gz XASFSPNFYDMPGL-UHFFFAOYSA-N 2 0 335.452 1.003 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000155172992 442379938 /nfs/dbraw/zinc/37/99/38/442379938.db2.gz OTFWXXDQBIKJGD-KRWDZBQOSA-N 2 0 330.476 1.327 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCSC1 ZINC000132416278 442392852 /nfs/dbraw/zinc/39/28/52/442392852.db2.gz LXCBTOIREZYSPG-MRXNPFEDSA-N 2 0 325.522 1.947 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C[C@@H]2CSCC[NH2+]2)c1 ZINC000133440081 442418377 /nfs/dbraw/zinc/41/83/77/442418377.db2.gz IFYOXABZSAKVAJ-OAHLLOKOSA-N 2 0 337.489 1.338 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000133968289 442443283 /nfs/dbraw/zinc/44/32/83/442443283.db2.gz BRJPATYTWZSURX-HNNXBMFYSA-N 2 0 335.496 1.562 20 0 EDADRP C[NH+](C)[C@H]1CCCN(CCOCCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000178698737 442458440 /nfs/dbraw/zinc/45/84/40/442458440.db2.gz LWFBFTBSGJAQRR-ROUUACIJSA-N 2 0 326.529 1.055 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000179854157 442512662 /nfs/dbraw/zinc/51/26/62/442512662.db2.gz JVADOLQXBYCBME-BEFAXECRSA-N 2 0 345.487 1.252 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1C[NH2+]CCO1 ZINC000178879147 442512737 /nfs/dbraw/zinc/51/27/37/442512737.db2.gz CVDSZFVELKSBSI-SFHVURJKSA-N 2 0 344.459 1.146 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178891390 442516451 /nfs/dbraw/zinc/51/64/51/442516451.db2.gz KLAXBWYPEOKUDM-KRWDZBQOSA-N 2 0 346.475 1.393 20 0 EDADRP CCCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CC[NH2+]C1 ZINC000178912661 442523172 /nfs/dbraw/zinc/52/31/72/442523172.db2.gz NVNHLDMLPBJZAL-IBGZPJMESA-N 2 0 344.503 1.648 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000186707752 442596818 /nfs/dbraw/zinc/59/68/18/442596818.db2.gz KUQVOYHBXXOPPX-MAUKXSAKSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157606282 442597362 /nfs/dbraw/zinc/59/73/62/442597362.db2.gz ICFIBPXDJGFFJJ-IAGOWNOFSA-N 2 0 325.497 1.018 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC2OCCO2)CC1 ZINC000180248373 442565881 /nfs/dbraw/zinc/56/58/81/442565881.db2.gz QARSDHXHKOFNFV-CQSZACIVSA-N 2 0 337.439 1.991 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@](C)([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000192521089 442657017 /nfs/dbraw/zinc/65/70/17/442657017.db2.gz JKUWKVYLBQFGHO-GPMSIDNRSA-N 2 0 333.476 1.866 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000187401369 442674594 /nfs/dbraw/zinc/67/45/94/442674594.db2.gz MTOTVVPALVVGSM-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000192726840 442680724 /nfs/dbraw/zinc/68/07/24/442680724.db2.gz OLDAMXFIXQURLJ-INIZCTEOSA-N 2 0 329.510 1.220 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCOC[C@@H]2C)CC1 ZINC000192773764 442684923 /nfs/dbraw/zinc/68/49/23/442684923.db2.gz ULPGTBOCNKCUMJ-SFHVURJKSA-N 2 0 341.540 1.778 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192612130 442668188 /nfs/dbraw/zinc/66/81/88/442668188.db2.gz WGIKBCFSILANGW-KRWDZBQOSA-N 2 0 327.476 1.889 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000187385026 442673475 /nfs/dbraw/zinc/67/34/75/442673475.db2.gz CFHDVPSDCKGCIQ-DLBZAZTESA-N 2 0 334.464 1.045 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000188177979 442720796 /nfs/dbraw/zinc/72/07/96/442720796.db2.gz YHIFKABQLZDIMT-UHFFFAOYSA-N 2 0 331.416 1.999 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000193311576 442731833 /nfs/dbraw/zinc/73/18/33/442731833.db2.gz SQXYHKXCRIBOFZ-QGZVFWFLSA-N 2 0 332.492 1.390 20 0 EDADRP O[C@H](COC[C@H]1CCCO1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080714 442711487 /nfs/dbraw/zinc/71/14/87/442711487.db2.gz YZIFIYBQROMTLG-ZWKOTPCHSA-N 2 0 326.481 1.351 20 0 EDADRP COc1ccccc1CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000182565234 442788278 /nfs/dbraw/zinc/78/82/78/442788278.db2.gz QPQSTIJEKXGFFK-SFHVURJKSA-N 2 0 345.487 1.866 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000188697978 442790975 /nfs/dbraw/zinc/79/09/75/442790975.db2.gz RUJGCVGUNMHDEY-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000246561956 442792909 /nfs/dbraw/zinc/79/29/09/442792909.db2.gz ZCJYHTLEJAYJNG-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188752147 442803764 /nfs/dbraw/zinc/80/37/64/442803764.db2.gz HTEQXYFIKBBBGU-DOTOQJQBSA-N 2 0 335.423 1.529 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CSC ZINC000246310998 442770724 /nfs/dbraw/zinc/77/07/24/442770724.db2.gz NQGHEOZQSDOABZ-HUUCEWRRSA-N 2 0 330.542 1.795 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@H]2CCC[NH+]2CCOC)[C@@H](C)C1 ZINC000246419241 442781196 /nfs/dbraw/zinc/78/11/96/442781196.db2.gz LSJOJNBBBGRDHQ-BBWFWOEESA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[C@@H](C[NH2+][C@H](C)CC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000182537688 442782578 /nfs/dbraw/zinc/78/25/78/442782578.db2.gz YJXGDZOEOVAOML-HZPDHXFCSA-N 2 0 327.513 1.968 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604897 442842759 /nfs/dbraw/zinc/84/27/59/442842759.db2.gz MQJKFHSGMSCXNX-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000268142446 442867684 /nfs/dbraw/zinc/86/76/84/442867684.db2.gz RIXRNOYOCWRZOP-KXBFYZLASA-N 2 0 342.487 1.827 20 0 EDADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000189227798 442900713 /nfs/dbraw/zinc/90/07/13/442900713.db2.gz STIVLAXYDBANSG-GJZGRUSLSA-N 2 0 342.528 1.449 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000248441925 442892132 /nfs/dbraw/zinc/89/21/32/442892132.db2.gz AIDKEZHGNMYCKD-KLHDSHLOSA-N 2 0 338.496 1.098 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000194434174 442896766 /nfs/dbraw/zinc/89/67/66/442896766.db2.gz URYLBHQRUOHFGC-MJGOQNOKSA-N 2 0 348.491 1.120 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1[NH+](C)C ZINC000268274724 442927866 /nfs/dbraw/zinc/92/78/66/442927866.db2.gz XCDZYBMYCVOHRU-DOTOQJQBSA-N 2 0 348.491 1.719 20 0 EDADRP O=C(NCCN1CCCOCC1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000189443064 442954967 /nfs/dbraw/zinc/95/49/67/442954967.db2.gz WZLRWAPAVWKTOH-IBGZPJMESA-N 2 0 345.487 1.880 20 0 EDADRP CC[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC[NH2+]1 ZINC000184160707 442997799 /nfs/dbraw/zinc/99/77/99/442997799.db2.gz MPSIERJDEQVDAR-HXUWFJFHSA-N 2 0 345.487 1.792 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@H]3CC[N@H+](CC)C[C@@H]3C)CC2)c1=O ZINC000252528087 443041503 /nfs/dbraw/zinc/04/15/03/443041503.db2.gz FBDFCCQEZIOYSW-RDJZCZTQSA-N 2 0 347.507 1.552 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000184618910 443050033 /nfs/dbraw/zinc/05/00/33/443050033.db2.gz GIUWDSRIVGEPNR-RBUKOAKNSA-N 2 0 341.455 1.729 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1CO ZINC000190341464 443087669 /nfs/dbraw/zinc/08/76/69/443087669.db2.gz FRRFGAYDZCXXHU-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP CO[C@H](C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000268905272 443142408 /nfs/dbraw/zinc/14/24/08/443142408.db2.gz LQAGSZIPAIWLDM-HDMKZQKVSA-N 2 0 333.476 1.897 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268802248 443113030 /nfs/dbraw/zinc/11/30/30/443113030.db2.gz BKMXSHSXHRUSHE-IGCXYCKISA-N 2 0 337.489 1.728 20 0 EDADRP O[C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)C[NH+]1CCCC1 ZINC000268821789 443118169 /nfs/dbraw/zinc/11/81/69/443118169.db2.gz HUVHGZSCGJZKNM-FQEVSTJZSA-N 2 0 349.494 1.879 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4nsnc43)C2)CC1 ZINC000268849859 443126336 /nfs/dbraw/zinc/12/63/36/443126336.db2.gz BMRIOMPDFKJNNZ-HNNXBMFYSA-N 2 0 331.489 1.903 20 0 EDADRP COCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000261894958 443173907 /nfs/dbraw/zinc/17/39/07/443173907.db2.gz ASTMOBYTNWCDFR-RTBURBONSA-N 2 0 345.487 1.913 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237931379 443189456 /nfs/dbraw/zinc/18/94/56/443189456.db2.gz VAYVHJGYZUKWAA-MSOLQXFVSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000245509152 443233767 /nfs/dbraw/zinc/23/37/67/443233767.db2.gz UCDIOMLWXHVGDY-BJWYYQGGSA-N 2 0 342.528 1.857 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(F)c1 ZINC000269226808 443240544 /nfs/dbraw/zinc/24/05/44/443240544.db2.gz DUSUPCVEWFVQIC-ZBFHGGJFSA-N 2 0 332.379 1.143 20 0 EDADRP C[N@@H+]1CC[C@@H](c2nc(-c3cccc(N4CC[NH+](C)CC4)n3)no2)C1 ZINC000350113905 319041795 /nfs/dbraw/zinc/04/17/95/319041795.db2.gz IWVTXRWILUEJQB-CYBMUJFWSA-N 2 0 328.420 1.303 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000269252176 443250878 /nfs/dbraw/zinc/25/08/78/443250878.db2.gz HWXPKXWXZXIVJI-SFHVURJKSA-N 2 0 349.475 1.402 20 0 EDADRP COC(=O)[C@H]1C[C@H](O)CN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411624595 319190279 /nfs/dbraw/zinc/19/02/79/319190279.db2.gz YISXSNQBGUAGKD-ZWKOTPCHSA-N 2 0 332.444 1.781 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@H]2C2CC2)CC1 ZINC000411784942 319203887 /nfs/dbraw/zinc/20/38/87/319203887.db2.gz HYUSYRRJTPAAKA-INIZCTEOSA-N 2 0 325.522 1.803 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413511784 319272571 /nfs/dbraw/zinc/27/25/71/319272571.db2.gz XCDONMIQIJFLQF-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP COC(=O)c1cnc([C@@H](C)[NH2+]C2CCN(CC[NH+](C)C)CC2)s1 ZINC000414061054 319315008 /nfs/dbraw/zinc/31/50/08/319315008.db2.gz KACXXIJYGUAQTD-GFCCVEGCSA-N 2 0 340.493 1.606 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000414186375 319318054 /nfs/dbraw/zinc/31/80/54/319318054.db2.gz HRNUZFMXJYXNEP-OAHLLOKOSA-N 2 0 336.455 1.668 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000269265707 443257988 /nfs/dbraw/zinc/25/79/88/443257988.db2.gz YXRKBTGNVRZCMZ-INIZCTEOSA-N 2 0 335.473 1.552 20 0 EDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000414662595 319337798 /nfs/dbraw/zinc/33/77/98/319337798.db2.gz ZCBCPHSYEZEWGX-UHFFFAOYSA-N 2 0 346.353 1.171 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCOC[C@@H]2Cc2ccccc2)C1 ZINC000414679207 319340888 /nfs/dbraw/zinc/34/08/88/319340888.db2.gz RHSBMTXLANEGBC-ROUUACIJSA-N 2 0 331.460 1.127 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000414691460 319343174 /nfs/dbraw/zinc/34/31/74/319343174.db2.gz BUGWHHSFRQZMIV-HZPDHXFCSA-N 2 0 330.432 1.088 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414691736 319343508 /nfs/dbraw/zinc/34/35/08/319343508.db2.gz AJQDUUJKTPTRLN-ZDUSSCGKSA-N 2 0 330.432 1.219 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000415083682 319345708 /nfs/dbraw/zinc/34/57/08/319345708.db2.gz QITFUTKWAXRTPO-FUHWJXTLSA-N 2 0 344.503 1.833 20 0 EDADRP C[NH+](C)CCN(C(=O)C(=O)Nc1ccc(C[NH3+])cc1)C1CCCC1 ZINC000415085499 319346435 /nfs/dbraw/zinc/34/64/35/319346435.db2.gz SOSPDESZAVXGIO-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[NH2+]C ZINC000415242856 319356060 /nfs/dbraw/zinc/35/60/60/319356060.db2.gz UVJRCGXNFOUPSC-UHFFFAOYSA-N 2 0 335.452 1.178 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)c1 ZINC000415337018 319361468 /nfs/dbraw/zinc/36/14/68/319361468.db2.gz TVCHIGJYSOFMFV-MRXNPFEDSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415741431 319369024 /nfs/dbraw/zinc/36/90/24/319369024.db2.gz JZIJQJABGDNCKS-RHSMWYFYSA-N 2 0 344.459 1.212 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000415972477 319386585 /nfs/dbraw/zinc/38/65/85/319386585.db2.gz MFMUJRQSDBREIB-QGZVFWFLSA-N 2 0 334.464 1.620 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415996181 319388301 /nfs/dbraw/zinc/38/83/01/319388301.db2.gz OMKIYLGRRRDHKU-ZIAGYGMSSA-N 2 0 346.397 1.738 20 0 EDADRP COC(=O)C1CCN(C(=O)C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)CC1 ZINC000266933199 443294518 /nfs/dbraw/zinc/29/45/18/443294518.db2.gz PDMKTFLCDKALDT-CQSZACIVSA-N 2 0 334.420 1.001 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269272737 443261139 /nfs/dbraw/zinc/26/11/39/443261139.db2.gz UFIYKIPIYXGPAW-KBAYOESNSA-N 2 0 331.460 1.392 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185809137 443261695 /nfs/dbraw/zinc/26/16/95/443261695.db2.gz QGJHUSFFLKYKJQ-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000416816086 319463410 /nfs/dbraw/zinc/46/34/10/319463410.db2.gz ILEFPHCYLSUWEX-JSGCOSHPSA-N 2 0 338.452 1.343 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000416849213 319466276 /nfs/dbraw/zinc/46/62/76/319466276.db2.gz XKLJBTSJBSFQJQ-AWEZNQCLSA-N 2 0 340.493 1.420 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000272455582 443324398 /nfs/dbraw/zinc/32/43/98/443324398.db2.gz NGPJUQNYLRWKJA-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCC[C@H](C)[NH3+])CC2)cc1 ZINC000417334663 319492828 /nfs/dbraw/zinc/49/28/28/319492828.db2.gz RKULRRRZDIMXBV-HNNXBMFYSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)[C@@H]1C ZINC000417371099 319494874 /nfs/dbraw/zinc/49/48/74/319494874.db2.gz UZDDLELTOGNAOC-HUUCEWRRSA-N 2 0 334.464 1.519 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC([NH3+])CC2)cc1 ZINC000417482420 319496299 /nfs/dbraw/zinc/49/62/99/319496299.db2.gz PJIMQLRPINHWQV-UHFFFAOYSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)ccn1 ZINC000417953959 319498142 /nfs/dbraw/zinc/49/81/42/319498142.db2.gz PWYMNPZQSZZZDT-HOCLYGCPSA-N 2 0 349.479 1.339 20 0 EDADRP CN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000264448170 443295568 /nfs/dbraw/zinc/29/55/68/443295568.db2.gz YDHOAMAISPLKCA-QGZVFWFLSA-N 2 0 347.463 1.024 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000419012063 319541904 /nfs/dbraw/zinc/54/19/04/319541904.db2.gz UQUORTWNKHNZKY-QGZVFWFLSA-N 2 0 346.475 1.094 20 0 EDADRP Cc1cc(N2CCC(NC(=O)CCn3ccnc3)CC2)nc(C)n1 ZINC000267340844 443424013 /nfs/dbraw/zinc/42/40/13/443424013.db2.gz HZAPIPYFNLKCFR-UHFFFAOYSA-N 2 0 328.420 1.465 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000270359022 443467805 /nfs/dbraw/zinc/46/78/05/443467805.db2.gz IKMOUTZQRPEVEC-KRWDZBQOSA-N 2 0 347.503 1.812 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCCN1)N1CC[NH+](C)CC1 ZINC000422969208 319742867 /nfs/dbraw/zinc/74/28/67/319742867.db2.gz ZDMOKOSHOPZRNY-RDGPPVDQSA-N 2 0 338.540 1.005 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000423364324 319767217 /nfs/dbraw/zinc/76/72/17/319767217.db2.gz VKGHSYJLCWQTAJ-XJKSGUPXSA-N 2 0 332.448 1.903 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423385097 319769017 /nfs/dbraw/zinc/76/90/17/319769017.db2.gz GIAHQLANSBOWOB-QAPCUYQASA-N 2 0 335.448 1.467 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2ccc(Br)cc21 ZINC000423406328 319772592 /nfs/dbraw/zinc/77/25/92/319772592.db2.gz KNDLHJBALREJRE-KCPJHIHWSA-N 2 0 325.250 1.996 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1[NH+](C)C ZINC000271829806 443514546 /nfs/dbraw/zinc/51/45/46/443514546.db2.gz RVKLDLLZAIPXJK-QAPCUYQASA-N 2 0 345.491 1.890 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000427292949 319895563 /nfs/dbraw/zinc/89/55/63/319895563.db2.gz WGCSVEXXJDMUED-OAHLLOKOSA-N 2 0 349.450 1.785 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)CC1 ZINC000430547621 319932554 /nfs/dbraw/zinc/93/25/54/319932554.db2.gz UXPPJUPKZGHMAC-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000430561979 319934280 /nfs/dbraw/zinc/93/42/80/319934280.db2.gz BSXCWWWENXTDCG-UHFFFAOYSA-N 2 0 337.439 1.642 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NCCCn1ccnc1)C1CCCCC1 ZINC000283328418 443602537 /nfs/dbraw/zinc/60/25/37/443602537.db2.gz RMPCIQQOMMGZST-UHFFFAOYSA-N 2 0 349.479 1.160 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279928035 443644022 /nfs/dbraw/zinc/64/40/22/443644022.db2.gz QRZOAGMJILVMID-MOPGFXCFSA-N 2 0 343.471 1.149 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1C ZINC000438078362 320032966 /nfs/dbraw/zinc/03/29/66/320032966.db2.gz NGPYCTAUAHAHBM-HNNXBMFYSA-N 2 0 334.464 1.637 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000440634155 320076138 /nfs/dbraw/zinc/07/61/38/320076138.db2.gz CIHSTYSFVIAICA-IRXDYDNUSA-N 2 0 327.513 1.970 20 0 EDADRP CN(C)S(=O)(=O)CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000441400354 320094291 /nfs/dbraw/zinc/09/42/91/320094291.db2.gz DNURLRIQIBBXHM-GOEBONIOSA-N 2 0 329.510 1.217 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444267915 320123283 /nfs/dbraw/zinc/12/32/83/320123283.db2.gz UVUQAVKRMQDCJR-QFBILLFUSA-N 2 0 328.460 1.685 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000457592992 320329803 /nfs/dbraw/zinc/32/98/03/320329803.db2.gz MUHMPBCLBSDTJP-UHFFFAOYSA-N 2 0 349.519 1.822 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000471638563 320352814 /nfs/dbraw/zinc/35/28/14/320352814.db2.gz SWGPMPNUFGWXSL-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP COCC[N@H+](C)CCNC(=O)Cn1c(C)nc2cc(F)c(F)cc21 ZINC000280292844 443692891 /nfs/dbraw/zinc/69/28/91/443692891.db2.gz OIQYYQYZRBHVSI-UHFFFAOYSA-N 2 0 340.374 1.317 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276424532 443702559 /nfs/dbraw/zinc/70/25/59/443702559.db2.gz LMROFNYUPKKRCQ-AEFFLSMTSA-N 2 0 347.507 1.885 20 0 EDADRP Cc1ccnc2c1cccc2S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000518218675 320454993 /nfs/dbraw/zinc/45/49/93/320454993.db2.gz QHAUSZRVEIXZAY-UHFFFAOYSA-N 2 0 336.461 1.232 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000520372939 320477567 /nfs/dbraw/zinc/47/75/67/320477567.db2.gz BVGXYUNTSQYAOZ-INIZCTEOSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288175636 443794178 /nfs/dbraw/zinc/79/41/78/443794178.db2.gz MUGBCLYNRUDOFZ-PBHICJAKSA-N 2 0 337.439 1.513 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000288240254 443816546 /nfs/dbraw/zinc/81/65/46/443816546.db2.gz QGYJEETVFXHCPG-KRWDZBQOSA-N 2 0 348.491 1.254 20 0 EDADRP C[C@H](NC(=O)N(C)CCN1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000288271813 443827356 /nfs/dbraw/zinc/82/73/56/443827356.db2.gz VKAIWIZZWKQMGX-FUHWJXTLSA-N 2 0 348.491 1.651 20 0 EDADRP CCO[C@@H](C)c1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000531122381 320649735 /nfs/dbraw/zinc/64/97/35/320649735.db2.gz NMHZSTONDGBJFU-ZDUSSCGKSA-N 2 0 342.509 1.806 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299240189 443992617 /nfs/dbraw/zinc/99/26/17/443992617.db2.gz JGUOZOPSYCUZBV-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP [NH3+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000281938990 444044105 /nfs/dbraw/zinc/04/41/05/444044105.db2.gz KZRXTLDARHRXCM-GOSISDBHSA-N 2 0 344.503 1.786 20 0 EDADRP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1)[C@@H](C)CO ZINC000293480908 444029572 /nfs/dbraw/zinc/02/95/72/444029572.db2.gz RVJYPCZJTZDTTD-SFHVURJKSA-N 2 0 347.503 1.732 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000561128158 321033988 /nfs/dbraw/zinc/03/39/88/321033988.db2.gz LTWRRBNYJHWSPQ-INIZCTEOSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000561186322 321035556 /nfs/dbraw/zinc/03/55/56/321035556.db2.gz QTDNXRKIHQLYKP-NVXWUHKLSA-N 2 0 330.476 1.948 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC[N@@H+]1CCOC ZINC000563888063 321114809 /nfs/dbraw/zinc/11/48/09/321114809.db2.gz GSTPZIKNNWBNQD-JENIJYKNSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000564457624 321133321 /nfs/dbraw/zinc/13/33/21/321133321.db2.gz XGINBDMQYDYYPY-IBGZPJMESA-N 2 0 344.503 1.534 20 0 EDADRP [NH3+][C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000564914798 321156655 /nfs/dbraw/zinc/15/66/55/321156655.db2.gz QKFNQJHYOVDCEZ-LJQANCHMSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046753 321166803 /nfs/dbraw/zinc/16/68/03/321166803.db2.gz SFIMFNUIOLIFPP-HZPDHXFCSA-N 3 0 334.508 1.051 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000565940818 321207562 /nfs/dbraw/zinc/20/75/62/321207562.db2.gz YUDHYPLMAIWYGG-QIIPPGSGSA-N 2 0 328.460 1.798 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000566087964 321214116 /nfs/dbraw/zinc/21/41/16/321214116.db2.gz HZXGOUKPVBAXBK-QWHCGFSZSA-N 2 0 332.473 1.810 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000567695763 321253414 /nfs/dbraw/zinc/25/34/14/321253414.db2.gz BXWNOCJNYZOHQG-CYBMUJFWSA-N 2 0 347.381 1.125 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000567724639 321254183 /nfs/dbraw/zinc/25/41/83/321254183.db2.gz RPRCAAOSTAEJOQ-LJQANCHMSA-N 2 0 344.503 1.357 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000570232467 321342047 /nfs/dbraw/zinc/34/20/47/321342047.db2.gz KOCCLLQEVCLFMY-UHFFFAOYSA-N 2 0 333.480 1.182 20 0 EDADRP O=C(CC[NH+]1CCC(CCc2ccc(O)cc2)CC1)N1CC[NH2+]CC1 ZINC000570516065 321344329 /nfs/dbraw/zinc/34/43/29/321344329.db2.gz KPBHVNVMBYPBIF-UHFFFAOYSA-N 2 0 345.487 1.859 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000570562032 321347612 /nfs/dbraw/zinc/34/76/12/321347612.db2.gz HWWBLSKAFNHTBQ-KLHDSHLOSA-N 2 0 329.510 1.311 20 0 EDADRP C[C@@H](C(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC(C)C1 ZINC000571102681 321371554 /nfs/dbraw/zinc/37/15/54/321371554.db2.gz SMZLIJSTKAXABR-QFBILLFUSA-N 2 0 331.460 1.080 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C(F)(F)F)ccc1F ZINC000299742892 444131050 /nfs/dbraw/zinc/13/10/50/444131050.db2.gz JDNVLUDTSUKLJO-CHWSQXEVSA-N 2 0 347.356 1.901 20 0 EDADRP O=CN1CCC([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000278308327 444135272 /nfs/dbraw/zinc/13/52/72/444135272.db2.gz SQZTUAXANRYLBU-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000289449562 444147327 /nfs/dbraw/zinc/14/73/27/444147327.db2.gz DTDLGPLSVPBUOB-INIZCTEOSA-N 2 0 328.460 1.962 20 0 EDADRP C[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000289827764 444208624 /nfs/dbraw/zinc/20/86/24/444208624.db2.gz JPAOUIYKFHGEKW-AEFFLSMTSA-N 2 0 330.476 1.013 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000289866378 444213313 /nfs/dbraw/zinc/21/33/13/444213313.db2.gz LIULYTXKURQRLA-ZIAGYGMSSA-N 2 0 337.420 1.122 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000289885322 444215357 /nfs/dbraw/zinc/21/53/57/444215357.db2.gz STXSXSMQTWNUEP-RTBURBONSA-N 2 0 342.487 1.116 20 0 EDADRP [NH3+]CCc1nc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)cs1 ZINC000577280963 321639553 /nfs/dbraw/zinc/63/95/53/321639553.db2.gz FHSHHGAABQOJHF-UHFFFAOYSA-N 2 0 345.472 1.434 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000290115648 444244163 /nfs/dbraw/zinc/24/41/63/444244163.db2.gz YEYBVRVCKPVWKW-INIZCTEOSA-N 2 0 328.460 1.819 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000304257057 444244458 /nfs/dbraw/zinc/24/44/58/444244458.db2.gz DODZTGJKRCRQCX-VQTJNVASSA-N 2 0 331.504 1.897 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000323493848 444343505 /nfs/dbraw/zinc/34/35/05/444343505.db2.gz SUQIFTZJCUSPLK-FXAWDEMLSA-N 2 0 331.504 1.895 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000339971125 444346621 /nfs/dbraw/zinc/34/66/21/444346621.db2.gz HXJMVHINUDNXNO-OAGGEKHMSA-N 2 0 327.538 1.908 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337693463 444356757 /nfs/dbraw/zinc/35/67/57/444356757.db2.gz ONXZTVHTMNZUAA-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000324949923 444360684 /nfs/dbraw/zinc/36/06/84/444360684.db2.gz GOMQLDFMCRQPDW-HOTGVXAUSA-N 2 0 340.512 1.104 20 0 EDADRP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000578864499 321844333 /nfs/dbraw/zinc/84/43/33/321844333.db2.gz IFOUCSGMBHGJER-HOCLYGCPSA-N 2 0 332.448 1.062 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[N@H+](C)C1CC1 ZINC000580171966 322018109 /nfs/dbraw/zinc/01/81/09/322018109.db2.gz HQTRMUSRFYVTRW-IGMKFADOSA-N 2 0 334.508 1.922 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000580436365 322051130 /nfs/dbraw/zinc/05/11/30/322051130.db2.gz UMJFLOUUXMRGMR-KEYYUXOJSA-N 2 0 329.448 1.043 20 0 EDADRP O=C(C[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21)N1CC[NH2+]CC1 ZINC000580768064 322092712 /nfs/dbraw/zinc/09/27/12/322092712.db2.gz LAUXBUHKESYZOY-QGZVFWFLSA-N 2 0 339.443 1.271 20 0 EDADRP Cc1ncc2n1C[C@@H](C(=O)N1CCN(c3cc(C)ccn3)CC1)CC2 ZINC000580896019 322109761 /nfs/dbraw/zinc/10/97/61/322109761.db2.gz GZHKASCMYVQLKS-INIZCTEOSA-N 2 0 339.443 1.806 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246089 322154124 /nfs/dbraw/zinc/15/41/24/322154124.db2.gz HVNQRNPYOSBKBF-RTBURBONSA-N 2 0 328.460 1.398 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC2CC[NH2+]CC2)c1 ZINC000581655085 322204192 /nfs/dbraw/zinc/20/41/92/322204192.db2.gz QNKGCZRDDBFYOP-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(C)C ZINC000340881982 444556727 /nfs/dbraw/zinc/55/67/27/444556727.db2.gz CNOBCYGUTRLZRJ-KRWDZBQOSA-N 2 0 342.528 1.857 20 0 EDADRP C[C@@H]1C[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000340912239 444571285 /nfs/dbraw/zinc/57/12/85/444571285.db2.gz FRLQZGOFTHJOFW-CRAIPNDOSA-N 2 0 331.460 1.354 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000332998473 444625167 /nfs/dbraw/zinc/62/51/67/444625167.db2.gz HXBDUZCDIORWLB-KZNAEPCWSA-N 2 0 348.491 1.020 20 0 EDADRP CC(C)O[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000333233240 444649086 /nfs/dbraw/zinc/64/90/86/444649086.db2.gz CKEOXDFWYZJAJF-CBZIJGRNSA-N 2 0 337.508 1.815 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@H]2C(C)C)C1 ZINC000343937816 444681373 /nfs/dbraw/zinc/68/13/73/444681373.db2.gz QGMGUMMLFPFHJM-ROUUACIJSA-N 2 0 339.524 1.970 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC([NH+](C)C)C2)CC1 ZINC000342341710 444642198 /nfs/dbraw/zinc/64/21/98/444642198.db2.gz JQCGMQDBQCTGNS-UHFFFAOYSA-N 2 0 331.464 1.606 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCOc3ccccc32)CC1 ZINC000341194999 444722557 /nfs/dbraw/zinc/72/25/57/444722557.db2.gz SAXCWDZZYJFCRI-QGZVFWFLSA-N 2 0 331.460 1.900 20 0 EDADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701117 444794053 /nfs/dbraw/zinc/79/40/53/444794053.db2.gz JUZJEHWWXMPVNL-WOJBJXKFSA-N 2 0 329.488 1.773 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000336868332 444812218 /nfs/dbraw/zinc/81/22/18/444812218.db2.gz WJXPZHBOJUSKIW-HNNXBMFYSA-N 2 0 341.477 1.229 20 0 EDADRP CC[C@]1(C)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000344217189 444844978 /nfs/dbraw/zinc/84/49/78/444844978.db2.gz MTQAOIVSMOMUAU-SJLPKXTDSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C2CCN(C(C)=O)CC2)CC1 ZINC000343091537 445056122 /nfs/dbraw/zinc/05/61/22/445056122.db2.gz GXEXUUOTGNQZOY-UHFFFAOYSA-N 2 0 344.503 1.929 20 0 EDADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399976 445062925 /nfs/dbraw/zinc/06/29/25/445062925.db2.gz QUFHOSBSIZOSBJ-RDJZCZTQSA-N 2 0 336.476 1.990 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000343098557 445064479 /nfs/dbraw/zinc/06/44/79/445064479.db2.gz PKIOURWFVTUPRM-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP CC(C)C(=O)N[C@@H]1CCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000337336391 445037656 /nfs/dbraw/zinc/03/76/56/445037656.db2.gz NDJJFRJKGCDFSF-GOSISDBHSA-N 2 0 338.540 1.639 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339318520 445132079 /nfs/dbraw/zinc/13/20/79/445132079.db2.gz SSPIXKLIJJDNAU-BZUAXINKSA-N 2 0 328.501 1.230 20 0 EDADRP CC[C@@H](C(=O)NCCCN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339236511 445105261 /nfs/dbraw/zinc/10/52/61/445105261.db2.gz IMYZRFXFWMNGKY-IBGZPJMESA-N 2 0 346.519 1.651 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343173562 445114134 /nfs/dbraw/zinc/11/41/34/445114134.db2.gz NYXYWDUCVRHCKA-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)[NH+]1CCc2ccccc2C1 ZINC000343175015 445116084 /nfs/dbraw/zinc/11/60/84/445116084.db2.gz VRCBDWVUOJZKIB-YJBOKZPZSA-N 2 0 347.528 1.987 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1C1CC1 ZINC000339580584 445150861 /nfs/dbraw/zinc/15/08/61/445150861.db2.gz KGCFXONAEIZEMX-MSOLQXFVSA-N 2 0 328.460 1.756 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCCC[C@@H]1O ZINC000343396659 445215525 /nfs/dbraw/zinc/21/55/25/445215525.db2.gz CABIDWUVFBMNDN-SJORKVTESA-N 2 0 327.513 1.660 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2C[C@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000345972292 445203273 /nfs/dbraw/zinc/20/32/73/445203273.db2.gz LYTIODTWCUFXMB-DLBZAZTESA-N 2 0 336.480 1.143 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697606 445223855 /nfs/dbraw/zinc/22/38/55/445223855.db2.gz FHJGOCMWCNJCAI-CGTJXYLNSA-N 2 0 337.508 1.819 20 0 EDADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354501935 445266747 /nfs/dbraw/zinc/26/67/47/445266747.db2.gz PKZXTDKAMCYNEP-OAHLLOKOSA-N 2 0 333.476 1.974 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354504325 445267592 /nfs/dbraw/zinc/26/75/92/445267592.db2.gz SLAOLSJOOHGEEH-HNNXBMFYSA-N 2 0 346.475 1.675 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@H](C)O1 ZINC000343607022 445260857 /nfs/dbraw/zinc/26/08/57/445260857.db2.gz AZAFOKICAFTYBA-XUWVNRHRSA-N 2 0 326.485 1.268 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCC[NH+]2C)cn1 ZINC000348108519 445271500 /nfs/dbraw/zinc/27/15/00/445271500.db2.gz SVPAKNIVIWBDOD-BZSNNMDCSA-N 2 0 337.487 1.749 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000348130422 445284101 /nfs/dbraw/zinc/28/41/01/445284101.db2.gz WGLFKHGBNCAERG-HYVNUMGLSA-N 2 0 336.480 1.118 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348130058 445284556 /nfs/dbraw/zinc/28/45/56/445284556.db2.gz UEVBOWQTJZRLTC-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(CC(=O)Nc2cc(Cl)ccc2-n2cncn2)C1 ZINC000351848477 445342226 /nfs/dbraw/zinc/34/22/26/445342226.db2.gz DFNRWRQDKOOHDJ-NEPJUHHUSA-N 2 0 348.838 1.528 20 0 EDADRP Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000354692256 445342407 /nfs/dbraw/zinc/34/24/07/445342407.db2.gz MXMDSOMYVOLMDP-MRXNPFEDSA-N 2 0 332.448 1.253 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000357086908 445418657 /nfs/dbraw/zinc/41/86/57/445418657.db2.gz RRAJJCQWNRABQX-FGTMMUONSA-N 2 0 335.492 1.478 20 0 EDADRP Cn1ccnc1CN1C[C@H](F)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354870663 445430761 /nfs/dbraw/zinc/43/07/61/445430761.db2.gz KBXVYEXWJMPPNL-QBPKDAKJSA-N 2 0 335.471 1.549 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)[NH+](C)C)c1 ZINC000362655459 445481277 /nfs/dbraw/zinc/48/12/77/445481277.db2.gz LPXUXVITFXMIEO-JCGIZDLHSA-N 2 0 348.491 1.889 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362548518 445433258 /nfs/dbraw/zinc/43/32/58/445433258.db2.gz UTQWKUWYUQRLQU-HOTGVXAUSA-N 2 0 330.476 1.965 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362565403 445442394 /nfs/dbraw/zinc/44/23/94/445442394.db2.gz SZIQQEYIKKBTLZ-HNNXBMFYSA-N 2 0 333.480 1.729 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000349055863 445489597 /nfs/dbraw/zinc/48/95/97/445489597.db2.gz PIFOPBZAGRUTED-AWEZNQCLSA-N 2 0 337.489 1.455 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](C)C2C[NH2+]C2)CC1 ZINC000357222700 445491112 /nfs/dbraw/zinc/49/11/12/445491112.db2.gz IBXFSCGJDDIUGA-INIZCTEOSA-N 2 0 344.503 1.296 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000349060189 445491607 /nfs/dbraw/zinc/49/16/07/445491607.db2.gz UPHSIUYZTFDMQQ-YOEHRIQHSA-N 2 0 349.438 1.887 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110047 445604383 /nfs/dbraw/zinc/60/43/83/445604383.db2.gz JZBBCVLPJXMCFO-BRWVUGGUSA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353466740 445615168 /nfs/dbraw/zinc/61/51/68/445615168.db2.gz JDFLDUJCGWEUOK-MSOLQXFVSA-N 2 0 339.524 1.970 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515875 445627951 /nfs/dbraw/zinc/62/79/51/445627951.db2.gz NPVQOHPSMADJGR-UHFFFAOYSA-N 2 0 345.487 1.956 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356126103 445635770 /nfs/dbraw/zinc/63/57/70/445635770.db2.gz SLJODEIDNRHWRX-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP CC[NH+](CC)CCOCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000349660893 445639134 /nfs/dbraw/zinc/63/91/34/445639134.db2.gz CUPBISCQFYFRLH-UHFFFAOYSA-N 2 0 337.464 1.832 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362871268 445590630 /nfs/dbraw/zinc/59/06/30/445590630.db2.gz MCLYEBHCTZNRSE-CGTJXYLNSA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCO1 ZINC000358544086 445644002 /nfs/dbraw/zinc/64/40/02/445644002.db2.gz VJTAWJWJKAPARL-WBVHZDCISA-N 2 0 335.423 1.224 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353537167 445647409 /nfs/dbraw/zinc/64/74/09/445647409.db2.gz WOJBMAQUPFPDIX-DLBZAZTESA-N 2 0 336.524 1.441 20 0 EDADRP CCC[N@H+](C)CC(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000358579515 445660409 /nfs/dbraw/zinc/66/04/09/445660409.db2.gz BJUZKHKCYKNSLA-UHFFFAOYSA-N 2 0 346.519 1.782 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353569575 445660756 /nfs/dbraw/zinc/66/07/56/445660756.db2.gz RJDRDUDECVPCRF-SFHVURJKSA-N 2 0 340.556 1.493 20 0 EDADRP CCOC(=O)c1coc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000353628516 445682622 /nfs/dbraw/zinc/68/26/22/445682622.db2.gz URPNJNWOGPNPRM-AWEZNQCLSA-N 2 0 338.448 1.981 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000353638904 445687436 /nfs/dbraw/zinc/68/74/36/445687436.db2.gz BZBYSKCKKCTPNX-GMBSWORKSA-N 2 0 336.476 1.927 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358658424 445697636 /nfs/dbraw/zinc/69/76/36/445697636.db2.gz DZHIZGGHBAFLEU-IEBWSBKVSA-N 2 0 348.491 1.435 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000356285492 445717235 /nfs/dbraw/zinc/71/72/35/445717235.db2.gz RLJPKMCQVFPEEC-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000358689452 445718349 /nfs/dbraw/zinc/71/83/49/445718349.db2.gz KVWWYJHXAGNBKN-WBVHZDCISA-N 2 0 333.476 1.674 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncn(C(C)(C)C)n1 ZINC000360277767 445672735 /nfs/dbraw/zinc/67/27/35/445672735.db2.gz QSXVLLZBIWZTBF-UHFFFAOYSA-N 2 0 338.500 1.379 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000358781000 445771232 /nfs/dbraw/zinc/77/12/32/445771232.db2.gz BRABFIHSJBRGBQ-IXDOHACOSA-N 2 0 339.528 1.184 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+](C(C)C)C2)C1 ZINC000349929660 445723535 /nfs/dbraw/zinc/72/35/35/445723535.db2.gz CKJCAXYRJSWUMJ-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000349952770 445731820 /nfs/dbraw/zinc/73/18/20/445731820.db2.gz REXIZBHKOSOYEY-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP Cc1nc2n(c1C)CCN(C(=O)NCC(C)(C)N1CCOCC1)C2 ZINC000363249490 445739459 /nfs/dbraw/zinc/73/94/59/445739459.db2.gz YHRFKRIOQCJPFY-UHFFFAOYSA-N 2 0 335.452 1.136 20 0 EDADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1)CC(C)C ZINC000358750397 445756724 /nfs/dbraw/zinc/75/67/24/445756724.db2.gz KXWSLRJVMQEUOR-OAHLLOKOSA-N 2 0 340.512 1.911 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnn2ncccc12 ZINC000361493779 445786518 /nfs/dbraw/zinc/78/65/18/445786518.db2.gz CJPNCIVKWCJZRX-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000350288143 445807353 /nfs/dbraw/zinc/80/73/53/445807353.db2.gz REJJFOBBTOCKNX-FGTMMUONSA-N 2 0 339.524 1.924 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353914839 445811204 /nfs/dbraw/zinc/81/12/04/445811204.db2.gz LJMBPHLDXIAQBI-FGTMMUONSA-N 2 0 339.524 1.972 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358861366 445816444 /nfs/dbraw/zinc/81/64/44/445816444.db2.gz WMBMEAQKAVELAC-QGZVFWFLSA-N 2 0 335.423 1.191 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000361684782 445876665 /nfs/dbraw/zinc/87/66/65/445876665.db2.gz AWVWCYFABKFQDB-CRAIPNDOSA-N 2 0 334.508 1.146 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356517959 445836438 /nfs/dbraw/zinc/83/64/38/445836438.db2.gz GJPMUBQNMQTKEL-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356529578 445842817 /nfs/dbraw/zinc/84/28/17/445842817.db2.gz QOOYMHTWZQNESC-INIZCTEOSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000363657181 445864761 /nfs/dbraw/zinc/86/47/61/445864761.db2.gz WCGVIWMGLXTKPZ-SFHVURJKSA-N 2 0 336.524 1.491 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000361731117 445903998 /nfs/dbraw/zinc/90/39/98/445903998.db2.gz FKYFORHZXPTAOO-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCCN(Cc2nccn2C(C)C)CC1 ZINC000365017034 445975292 /nfs/dbraw/zinc/97/52/92/445975292.db2.gz WJYRLEZVRJQNGQ-RDJZCZTQSA-N 2 0 335.496 1.872 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000351109293 445993844 /nfs/dbraw/zinc/99/38/44/445993844.db2.gz AJNBOFPCKMYUNE-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP CCCCOC[C@H](O)C[N@@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000365119618 446038011 /nfs/dbraw/zinc/03/80/11/446038011.db2.gz IPSIBIPOAMBOLV-QZTJIDSGSA-N 2 0 327.513 1.123 20 0 EDADRP Cc1ccncc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000359186026 446010179 /nfs/dbraw/zinc/01/01/79/446010179.db2.gz BKTKSRWKPRBDST-UHFFFAOYSA-N 2 0 339.443 1.727 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C ZINC000354218854 446012881 /nfs/dbraw/zinc/01/28/81/446012881.db2.gz BMRRXAPXKXHSCI-YOEHRIQHSA-N 2 0 346.475 1.919 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451167 326076257 /nfs/dbraw/zinc/07/62/57/326076257.db2.gz MXZGHHKLZILGEL-KFWWJZLASA-N 2 0 329.452 1.200 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000583510627 326087975 /nfs/dbraw/zinc/08/79/75/326087975.db2.gz XNUSWVLSYGBHCV-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[N@H+](CC3CCC3)CC2)n1 ZINC000583574328 326098824 /nfs/dbraw/zinc/09/88/24/326098824.db2.gz VQKRAMUJKGVGOV-UHFFFAOYSA-N 2 0 333.480 1.393 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000583625966 326105844 /nfs/dbraw/zinc/10/58/44/326105844.db2.gz ACFCCDMRQUEWSM-SFHVURJKSA-N 2 0 336.476 1.894 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000356836175 446057365 /nfs/dbraw/zinc/05/73/65/446057365.db2.gz HBWPEIJPTBZGPQ-ROUUACIJSA-N 2 0 332.492 1.998 20 0 EDADRP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000584040737 326188302 /nfs/dbraw/zinc/18/83/02/326188302.db2.gz CTLAOTVJYBZOBT-ZTQAJYAQSA-N 2 0 345.487 1.863 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC12CCOCC2 ZINC000584291071 326236937 /nfs/dbraw/zinc/23/69/37/326236937.db2.gz XOPDBKIOUSPBBS-DLBZAZTESA-N 2 0 331.460 1.681 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000373266741 446132834 /nfs/dbraw/zinc/13/28/34/446132834.db2.gz YZFTWRPIWKKQSJ-NVXWUHKLSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000359303459 446136443 /nfs/dbraw/zinc/13/64/43/446136443.db2.gz XIIUYPMTZVGRGA-ZFWWWQNUSA-N 2 0 338.402 1.611 20 0 EDADRP C[C@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1(F)F ZINC000359303456 446136540 /nfs/dbraw/zinc/13/65/40/446136540.db2.gz XIIUYPMTZVGRGA-DZGCQCFKSA-N 2 0 338.402 1.611 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN2CCC[C@@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220844 446089640 /nfs/dbraw/zinc/08/96/40/446089640.db2.gz WCTSCGHLPFGFPT-IAOVAPTHSA-N 2 0 328.420 1.176 20 0 EDADRP CSC1(CNC(=O)C[N@H+](C)[C@@H]2CCSC2)CC[NH+](C)CC1 ZINC000359263731 446099840 /nfs/dbraw/zinc/09/98/40/446099840.db2.gz QGXYMIJNAZCPPC-CYBMUJFWSA-N 2 0 331.551 1.367 20 0 EDADRP Cn1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1C1CC1 ZINC000359287986 446123233 /nfs/dbraw/zinc/12/32/33/446123233.db2.gz JZYQKPFDFHKRIB-UHFFFAOYSA-N 2 0 335.496 1.643 20 0 EDADRP CN(C[C@@H]1CCn2ccnc2C1)C(=O)NCCN1CCOCC1(C)C ZINC000369889932 446164410 /nfs/dbraw/zinc/16/44/10/446164410.db2.gz VJYMMZOSFWEFGB-OAHLLOKOSA-N 2 0 349.479 1.198 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354403521 446180346 /nfs/dbraw/zinc/18/03/46/446180346.db2.gz INRLIFMSMMJSKY-CYBMUJFWSA-N 2 0 332.448 1.386 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH2+]3)[C@@H](C)C2)s1 ZINC000366319817 446147171 /nfs/dbraw/zinc/14/71/71/446147171.db2.gz CJHOBOKJIUUQII-RCBQFDQVSA-N 2 0 336.505 1.920 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2cccn2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000366329842 446156154 /nfs/dbraw/zinc/15/61/54/446156154.db2.gz ZIOGCJIQVMDBEY-HZPDHXFCSA-N 2 0 348.491 1.642 20 0 EDADRP CN(C1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351560462 446158302 /nfs/dbraw/zinc/15/83/02/446158302.db2.gz CGKUKVVYDGBZRD-UHFFFAOYSA-N 2 0 325.478 1.463 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)NCC[N@H+]3CC=CCC3)CC2)nc1 ZINC000373392501 446197466 /nfs/dbraw/zinc/19/74/66/446197466.db2.gz JJWRBMRWMLGMIB-UHFFFAOYSA-N 2 0 343.475 1.920 20 0 EDADRP CS(=O)(=O)N1CC[C@H](CN2CCC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290517 446216756 /nfs/dbraw/zinc/21/67/56/446216756.db2.gz VQBFBHFYPAVOMJ-IAGOWNOFSA-N 2 0 343.537 1.466 20 0 EDADRP CCCCNC(=O)C1([NH2+]CCC(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000351622707 446217406 /nfs/dbraw/zinc/21/74/06/446217406.db2.gz LSDDOBVHPZIWSM-UHFFFAOYSA-N 2 0 338.496 1.017 20 0 EDADRP CCOC1CC(O)(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000370516945 446315216 /nfs/dbraw/zinc/31/52/16/446315216.db2.gz CWWJEXOSZMKXRA-IKKRTKPYSA-N 2 0 326.481 1.395 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000417957223 446399205 /nfs/dbraw/zinc/39/92/05/446399205.db2.gz UGAGYACIQNSBSA-MRXNPFEDSA-N 2 0 349.479 1.163 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000417819566 446374398 /nfs/dbraw/zinc/37/43/98/446374398.db2.gz XLSMHDQGPOQZLD-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1 ZINC000370670538 446380657 /nfs/dbraw/zinc/38/06/57/446380657.db2.gz DLYNXHLHPIJEAI-IZBJGVDFSA-N 2 0 348.487 1.905 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)NCC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417914743 446384909 /nfs/dbraw/zinc/38/49/09/446384909.db2.gz AXFVAORMPZOQQV-WBVHZDCISA-N 2 0 330.476 1.806 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)C1 ZINC000365887013 446387710 /nfs/dbraw/zinc/38/77/10/446387710.db2.gz SNPYXASVVMWVKN-RHSMWYFYSA-N 2 0 329.460 1.162 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365892787 446390886 /nfs/dbraw/zinc/39/08/86/446390886.db2.gz FFCKWBKCVBJBCO-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)[NH+]2CCCC2)c1 ZINC000376241490 446395569 /nfs/dbraw/zinc/39/55/69/446395569.db2.gz TVGAWGJNOWAWCI-HBFSDRIKSA-N 2 0 343.471 1.948 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423145687 446439563 /nfs/dbraw/zinc/43/95/63/446439563.db2.gz MABINAIDTGFATJ-WCQYABFASA-N 2 0 328.254 1.718 20 0 EDADRP CCOc1cc2[nH+]ccc(NC[C@H]3C[NH2+]CCO3)c2cc1OCC ZINC000420270222 446441949 /nfs/dbraw/zinc/44/19/49/446441949.db2.gz AEDGNNGLVTZLLW-CYBMUJFWSA-N 2 0 331.416 1.854 20 0 EDADRP C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000418179672 446448576 /nfs/dbraw/zinc/44/85/76/446448576.db2.gz JQQCIHPJCMBGOX-SJLPKXTDSA-N 2 0 347.507 1.272 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417961500 446401694 /nfs/dbraw/zinc/40/16/94/446401694.db2.gz BJYUGZCNEDDULE-HOCLYGCPSA-N 2 0 331.464 1.677 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC[NH2+]1 ZINC000417988743 446409427 /nfs/dbraw/zinc/40/94/27/446409427.db2.gz IRSCHTNFBCFCJH-ZTFGCOKTSA-N 2 0 346.475 1.193 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417994664 446409905 /nfs/dbraw/zinc/40/99/05/446409905.db2.gz OZNFNTLSZFMYRQ-MSOLQXFVSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012123 446415808 /nfs/dbraw/zinc/41/58/08/446415808.db2.gz RTZJKABALPEISW-JQHSSLGASA-N 2 0 330.476 1.887 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1 ZINC000418057905 446426228 /nfs/dbraw/zinc/42/62/28/446426228.db2.gz NVIIMQIXEBGZSA-QZTJIDSGSA-N 2 0 330.476 1.542 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000411265265 446453949 /nfs/dbraw/zinc/45/39/49/446453949.db2.gz IRGJMMFQEFXBJD-OAHLLOKOSA-N 2 0 332.448 1.746 20 0 EDADRP COCC1(CNC(=O)NCCCCC[NH+]2CCCC2)CC[NH2+]CC1 ZINC000418218130 446461006 /nfs/dbraw/zinc/46/10/06/446461006.db2.gz ODSWLOUOBIHPCI-UHFFFAOYSA-N 2 0 340.512 1.568 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418240718 446469709 /nfs/dbraw/zinc/46/97/09/446469709.db2.gz RVKGGVNMSLISMJ-JKSUJKDBSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420321945 446488349 /nfs/dbraw/zinc/48/83/49/446488349.db2.gz DHTTYPVNRKPWCB-ZTQAJYAQSA-N 2 0 343.471 1.792 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000420326232 446493359 /nfs/dbraw/zinc/49/33/59/446493359.db2.gz JPWDWMALGYOOEP-CVEARBPZSA-N 2 0 349.450 1.642 20 0 EDADRP CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000420325919 446493793 /nfs/dbraw/zinc/49/37/93/446493793.db2.gz WWJUOBGZSWSYRD-BPQIPLTHSA-N 2 0 335.492 1.515 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)[C@]2([NH+](C)C)CCCSC2)C[C@H]1C ZINC000367059351 446494577 /nfs/dbraw/zinc/49/45/77/446494577.db2.gz DZTMEKFMEHJHOE-INMHGKMJSA-N 2 0 343.537 1.381 20 0 EDADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420327744 446495379 /nfs/dbraw/zinc/49/53/79/446495379.db2.gz YZJDPSKVWFCWON-IRXDYDNUSA-N 2 0 336.524 1.441 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc2ccccc2c1=O ZINC000420333108 446502696 /nfs/dbraw/zinc/50/26/96/446502696.db2.gz SLAUWRGQKPOKGS-CABCVRRESA-N 2 0 326.444 1.755 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420335959 446506853 /nfs/dbraw/zinc/50/68/53/446506853.db2.gz IGVYRLVPWHVAGG-GOSISDBHSA-N 2 0 345.487 1.818 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423377813 446508421 /nfs/dbraw/zinc/50/84/21/446508421.db2.gz KLHGNJJPGUVAAE-MDZLAQPJSA-N 2 0 328.254 1.729 20 0 EDADRP CN(CC(=O)NCC1CCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000375010382 446510366 /nfs/dbraw/zinc/51/03/66/446510366.db2.gz ATZKYFYCDUCVCB-UHFFFAOYSA-N 2 0 344.503 1.937 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(I)cc1 ZINC000423395309 446515259 /nfs/dbraw/zinc/51/52/59/446515259.db2.gz AIDIBTVBDMYYDM-XHVZSJERSA-N 2 0 346.212 1.522 20 0 EDADRP Cc1ccccc1C[C@@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329372 446497029 /nfs/dbraw/zinc/49/70/29/446497029.db2.gz GMRTUKMJNPDRQR-QRQLOZEOSA-N 2 0 329.488 1.974 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343754 446515977 /nfs/dbraw/zinc/51/59/77/446515977.db2.gz RNGKVTDKOSIXKD-ZJPYXAASSA-N 2 0 337.508 1.629 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCc2ccccc2OC1)N1CC[NH2+]CC1 ZINC000423397801 446516031 /nfs/dbraw/zinc/51/60/31/446516031.db2.gz VARWETHCKMGIIZ-GDBMZVCRSA-N 2 0 343.393 1.806 20 0 EDADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420383023 446559436 /nfs/dbraw/zinc/55/94/36/446559436.db2.gz QHXJKMCQAGTCRF-MRXNPFEDSA-N 2 0 343.431 1.655 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423405965 446519777 /nfs/dbraw/zinc/51/97/77/446519777.db2.gz ZTPWRWKUMJTYLV-JONQDZQNSA-N 2 0 348.457 1.723 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418377800 446520900 /nfs/dbraw/zinc/52/09/00/446520900.db2.gz VLUMSWVSHQIAOA-OAHLLOKOSA-N 2 0 340.418 1.790 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@]2(C)CCCC[C@H]2C(=O)OC)CC1 ZINC000411406527 446522670 /nfs/dbraw/zinc/52/26/70/446522670.db2.gz JHEPNMHELLQLEB-YJBOKZPZSA-N 2 0 339.480 1.298 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418388122 446524244 /nfs/dbraw/zinc/52/42/44/446524244.db2.gz POLKZWWFTQVAKB-IAGOWNOFSA-N 2 0 333.480 1.528 20 0 EDADRP C[C@H](C(=O)NC[C@@H](C)c1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349519 446524451 /nfs/dbraw/zinc/52/44/51/446524451.db2.gz PIXSAAHHCNJFTL-LMMKCTJWSA-N 2 0 344.503 1.274 20 0 EDADRP O=C1[C@@H]([N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CCCN1c1ccccc1 ZINC000420350091 446527473 /nfs/dbraw/zinc/52/74/73/446527473.db2.gz RIGWKGNSDRMLGV-ROUUACIJSA-N 2 0 328.460 1.162 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCC([NH3+])CC1 ZINC000418402705 446530753 /nfs/dbraw/zinc/53/07/53/446530753.db2.gz OJZLUUNZVRMQLL-JCYILVPMSA-N 3 0 339.528 1.314 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@H](C)O1 ZINC000423427311 446533196 /nfs/dbraw/zinc/53/31/96/446533196.db2.gz IPFHBZMVASJTGK-IYBDPMFKSA-N 2 0 337.508 1.853 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCC(=O)NCc2ccccc2)CC1 ZINC000433139533 446535011 /nfs/dbraw/zinc/53/50/11/446535011.db2.gz XKBXHAXWWKWIFB-UHFFFAOYSA-N 2 0 346.475 1.012 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H](C[NH3+])C(C)C)cn2)CC1 ZINC000433163578 446541737 /nfs/dbraw/zinc/54/17/37/446541737.db2.gz YJDHYKTZXXMNAF-MRXNPFEDSA-N 2 0 333.480 1.071 20 0 EDADRP COCCOc1ccccc1N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420363098 446542875 /nfs/dbraw/zinc/54/28/75/446542875.db2.gz OXOSONAKINNTCP-QGZVFWFLSA-N 2 0 333.476 1.833 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418469352 446555282 /nfs/dbraw/zinc/55/52/82/446555282.db2.gz PHSDLOQERTYRTP-PKOBYXMFSA-N 2 0 346.475 1.002 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000418472818 446556434 /nfs/dbraw/zinc/55/64/34/446556434.db2.gz XBSXTMVNJREZCZ-YOEHRIQHSA-N 2 0 334.464 1.352 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423506438 446557731 /nfs/dbraw/zinc/55/77/31/446557731.db2.gz IZDUYJSTRMMTDQ-FGTMMUONSA-N 2 0 333.476 1.862 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000411579484 446615113 /nfs/dbraw/zinc/61/51/13/446615113.db2.gz UTIBWWPJNHVDSL-JKSUJKDBSA-N 2 0 325.522 1.804 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000423634109 446617348 /nfs/dbraw/zinc/61/73/48/446617348.db2.gz MKZHXYQZBIRMFM-MOPGFXCFSA-N 2 0 344.503 1.403 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000418617114 446617595 /nfs/dbraw/zinc/61/75/95/446617595.db2.gz ZFHBKJJEXRJYJL-QRTARXTBSA-N 2 0 334.464 1.738 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433405365 446571056 /nfs/dbraw/zinc/57/10/56/446571056.db2.gz FIUSBRZOHDXKOC-JKSUJKDBSA-N 2 0 342.447 1.235 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2CO)CCC1 ZINC000418507247 446571853 /nfs/dbraw/zinc/57/18/53/446571853.db2.gz IMUCIWJHNOIOBS-SJORKVTESA-N 2 0 346.475 1.050 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420397213 446572228 /nfs/dbraw/zinc/57/22/28/446572228.db2.gz FGVJIHWHCQJNMA-ROUUACIJSA-N 2 0 328.460 1.449 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418522544 446579946 /nfs/dbraw/zinc/57/99/46/446579946.db2.gz JKVXJEQWKRFRPJ-BPQIPLTHSA-N 2 0 330.476 1.887 20 0 EDADRP CCN(C(=O)C[NH+]1CCC(O)(C[NH3+])CC1)[C@H](C)c1ccc(F)cc1 ZINC000420408088 446581090 /nfs/dbraw/zinc/58/10/90/446581090.db2.gz VOQTUKMQCSSODK-CQSZACIVSA-N 2 0 337.439 1.521 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000418550203 446589951 /nfs/dbraw/zinc/58/99/51/446589951.db2.gz LFWMAUOYCADKJI-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418567931 446598414 /nfs/dbraw/zinc/59/84/14/446598414.db2.gz XCZITNIHAZOOFH-QAPCUYQASA-N 2 0 334.464 1.002 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC000375218268 446650328 /nfs/dbraw/zinc/65/03/28/446650328.db2.gz KTFULNJYGIKENR-QGZVFWFLSA-N 2 0 334.439 1.918 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000418647362 446632140 /nfs/dbraw/zinc/63/21/40/446632140.db2.gz XWAAKNSPPAZOIH-AEFFLSMTSA-N 2 0 346.475 1.019 20 0 EDADRP COCC1(CNC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]CC1 ZINC000418650645 446632774 /nfs/dbraw/zinc/63/27/74/446632774.db2.gz WPLUOEUIHSIBBL-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C)C3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423832215 446721622 /nfs/dbraw/zinc/72/16/22/446721622.db2.gz RQNVEGOGHNOUEN-UPRAQXHNSA-N 2 0 343.471 1.945 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368384606 446827729 /nfs/dbraw/zinc/82/77/29/446827729.db2.gz WUXWXVGTFYGQLA-RDJZCZTQSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1[C@H](CO)CCC[NH+]1CCOCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412077326 446837809 /nfs/dbraw/zinc/83/78/09/446837809.db2.gz JWKFBUHKHXFKHU-BDXSIMOUSA-N 2 0 328.497 1.189 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+]2C)C[C@H](C)O1 ZINC000420768779 446807636 /nfs/dbraw/zinc/80/76/36/446807636.db2.gz WONHWSPNGGUOOW-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000419015895 446867705 /nfs/dbraw/zinc/86/77/05/446867705.db2.gz FKVWKCSFVZIITL-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000419023642 446871468 /nfs/dbraw/zinc/87/14/68/446871468.db2.gz WPTAGHCMUOWXHD-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000424453505 446874821 /nfs/dbraw/zinc/87/48/21/446874821.db2.gz KHFVBJLXDQWURA-OAHLLOKOSA-N 2 0 346.475 1.629 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000424455913 446877033 /nfs/dbraw/zinc/87/70/33/446877033.db2.gz UWDNJGXTCDKHMI-IAGOWNOFSA-N 2 0 331.464 1.615 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(CN2CCOCC2)cc1 ZINC000420905017 446881339 /nfs/dbraw/zinc/88/13/39/446881339.db2.gz QKRXQYOPYWCTRA-GOSISDBHSA-N 2 0 331.460 1.571 20 0 EDADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000368467257 446881445 /nfs/dbraw/zinc/88/14/45/446881445.db2.gz VXRVBQXRLRIEJT-YESZJQIVSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1nc(CNc2cc(N3CCOCC3)ncn2)c2n1CCCC2 ZINC000377058551 446892339 /nfs/dbraw/zinc/89/23/39/446892339.db2.gz XAXPTFNSTMEAHF-UHFFFAOYSA-N 2 0 328.420 1.767 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419125993 446937751 /nfs/dbraw/zinc/93/77/51/446937751.db2.gz VAYUSBVJOKWHNH-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371765470 446960495 /nfs/dbraw/zinc/96/04/95/446960495.db2.gz LGGDWJKUJIBBLM-BBWFWOEESA-N 2 0 338.496 1.080 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442775805 446962670 /nfs/dbraw/zinc/96/26/70/446962670.db2.gz BGTJKOMZKCTGRV-XYPWUTKMSA-N 2 0 330.432 1.329 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419208764 447012469 /nfs/dbraw/zinc/01/24/69/447012469.db2.gz RRACVYWIXOISQL-OAHLLOKOSA-N 2 0 346.475 1.142 20 0 EDADRP Cc1cc(NC(=O)C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000372017959 446981965 /nfs/dbraw/zinc/98/19/65/446981965.db2.gz ACOAYUFKRHRLRE-MRXNPFEDSA-N 2 0 334.464 2.508 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419165483 446982485 /nfs/dbraw/zinc/98/24/85/446982485.db2.gz GLJZSPZAIKMCOA-GPANFISMSA-N 2 0 338.496 1.143 20 0 EDADRP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443059056 447000514 /nfs/dbraw/zinc/00/05/14/447000514.db2.gz LTWMHHRMGUOWLS-QGZVFWFLSA-N 2 0 333.476 1.900 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000372344593 447042496 /nfs/dbraw/zinc/04/24/96/447042496.db2.gz CTBCWEFWIDICBQ-DLBZAZTESA-N 2 0 347.507 1.704 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC1(C)C ZINC000419322337 447086872 /nfs/dbraw/zinc/08/68/72/447086872.db2.gz SFEHTCSYIVWLTG-ZACQAIPSSA-N 2 0 339.524 1.874 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410116 447158917 /nfs/dbraw/zinc/15/89/17/447158917.db2.gz OFJMSZWUWPXTFW-GJZGRUSLSA-N 2 0 338.496 1.014 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419439876 447177333 /nfs/dbraw/zinc/17/73/33/447177333.db2.gz QQYVTIMLUIUQGJ-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1ccc2c(c1)CC[NH2+]CC2 ZINC000375969368 447181841 /nfs/dbraw/zinc/18/18/41/447181841.db2.gz OGBQHWQAAQPENY-HXUWFJFHSA-N 2 0 335.451 1.992 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)C[C@H]1C ZINC000455656708 447198807 /nfs/dbraw/zinc/19/88/07/447198807.db2.gz KXVAZTAFJIBOCO-HUUCEWRRSA-N 2 0 336.484 1.781 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000413819632 447257413 /nfs/dbraw/zinc/25/74/13/447257413.db2.gz RBUYYQPAAVUSCU-SFHVURJKSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1ccc(NS(C)(=O)=O)cc1 ZINC000447601150 447280340 /nfs/dbraw/zinc/28/03/40/447280340.db2.gz OSESMACBAKLKMW-ZDUSSCGKSA-N 2 0 329.466 1.287 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000419857252 447455306 /nfs/dbraw/zinc/45/53/06/447455306.db2.gz ZPRKVGBWDUHAOS-MRXNPFEDSA-N 2 0 325.522 1.806 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419903068 447480100 /nfs/dbraw/zinc/48/01/00/447480100.db2.gz UVTSEXKTNRGLJF-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP CC(=O)[C@](C)(O)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000450470357 447499250 /nfs/dbraw/zinc/49/92/50/447499250.db2.gz ACBOAAPJOHMEBM-LJQANCHMSA-N 2 0 339.524 1.455 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457527399 447588858 /nfs/dbraw/zinc/58/88/58/447588858.db2.gz FZMWGISTZBEESQ-KRWDZBQOSA-N 2 0 340.512 1.254 20 0 EDADRP COC(=O)[C@@H]([N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1(OC)CCC1 ZINC000459338260 447638291 /nfs/dbraw/zinc/63/82/91/447638291.db2.gz RPOQNIVNIGTETK-GOEBONIOSA-N 2 0 342.480 1.122 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1 ZINC000416825231 447692643 /nfs/dbraw/zinc/69/26/43/447692643.db2.gz AOKRGAYDQCJYPZ-HLLBOEOZSA-N 2 0 334.439 1.679 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000416826511 447692721 /nfs/dbraw/zinc/69/27/21/447692721.db2.gz BUBKEWCVVMCZCP-CEXWTWQISA-N 2 0 344.503 1.847 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000422585421 447654952 /nfs/dbraw/zinc/65/49/52/447654952.db2.gz CNPPGKQQBKSLIE-SJORKVTESA-N 2 0 344.459 1.400 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CC[NH3+])[C@@H](C)C1 ZINC000422590617 447659623 /nfs/dbraw/zinc/65/96/23/447659623.db2.gz ASVRTEXOYSKXCD-LSDHHAIUSA-N 2 0 328.501 1.550 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnc(C2CC2)nc1)C(=O)NCC[NH+](C)C ZINC000459443776 447667725 /nfs/dbraw/zinc/66/77/25/447667725.db2.gz BCYXPQZGBWFLAN-INIZCTEOSA-N 2 0 333.480 1.536 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCCNC(=O)OC(C)(C)C ZINC000495958349 447675004 /nfs/dbraw/zinc/67/50/04/447675004.db2.gz CIXKFQDPPTYEDP-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000416804213 447689071 /nfs/dbraw/zinc/68/90/71/447689071.db2.gz WLBAFDYSCFEHTC-SJORKVTESA-N 2 0 336.455 1.994 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000416815058 447690893 /nfs/dbraw/zinc/69/08/93/447690893.db2.gz VYODVVPUYOHKEZ-KBPBESRZSA-N 2 0 326.391 1.586 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCC(C)CC1 ZINC000458053529 447710563 /nfs/dbraw/zinc/71/05/63/447710563.db2.gz SKWPIPIURSKFCZ-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)[C@@H]1C[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000458105404 447719380 /nfs/dbraw/zinc/71/93/80/447719380.db2.gz MMJOVZVYAJHIGZ-ZWKOTPCHSA-N 2 0 345.491 1.937 20 0 EDADRP C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000422710284 447722917 /nfs/dbraw/zinc/72/29/17/447722917.db2.gz FOWYWFSJBVUZMP-WMZOPIPTSA-N 2 0 336.524 1.299 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000422761962 447742838 /nfs/dbraw/zinc/74/28/38/447742838.db2.gz NFLRQHDGJKVWDU-SJLPKXTDSA-N 2 0 333.476 1.615 20 0 EDADRP CC(C)[NH+]1CC[C@@H](N(C)CC(O)CN(C)[C@@H]2CC[N@@H+](C(C)C)C2)C1 ZINC000452110809 447816653 /nfs/dbraw/zinc/81/66/53/447816653.db2.gz AMGZVONUFGOIIZ-QZTJIDSGSA-N 2 0 340.556 1.176 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H](O)COc1ccccc1Br ZINC000422947317 447777999 /nfs/dbraw/zinc/77/79/99/447777999.db2.gz YFCGDNNTACGAQN-YRGRVCCFSA-N 2 0 343.265 1.776 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000422967180 447783599 /nfs/dbraw/zinc/78/35/99/447783599.db2.gz BORSAZYHXAQZHP-UHFFFAOYSA-N 2 0 338.496 1.143 20 0 EDADRP COc1ccc([C@H](NCC2(O)CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422977415 447785982 /nfs/dbraw/zinc/78/59/82/447785982.db2.gz KBKSGGZBNNYCCK-MSOLQXFVSA-N 2 0 333.476 1.535 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000471651730 447807086 /nfs/dbraw/zinc/80/70/86/447807086.db2.gz ACPJPDLVRFGOOK-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](c2nccn2C)C2CC2)CC[NH2+]CC1 ZINC000423113841 447807717 /nfs/dbraw/zinc/80/77/17/447807717.db2.gz ZIERQVOJCRXBMU-HIFRSBDPSA-N 2 0 334.464 1.782 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423114630 447808668 /nfs/dbraw/zinc/80/86/68/447808668.db2.gz ZSUJYEVEJHYDPX-ZJUUUORDSA-N 2 0 337.848 1.473 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)c1 ZINC000487685528 447835918 /nfs/dbraw/zinc/83/59/18/447835918.db2.gz IIXYMRAETPHRIS-YJBOKZPZSA-N 2 0 333.476 1.783 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000479646824 447823671 /nfs/dbraw/zinc/82/36/71/447823671.db2.gz KZVDBYHJRSRASP-SJORKVTESA-N 2 0 340.512 1.207 20 0 EDADRP CCOc1ccc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1F ZINC000487328617 447829466 /nfs/dbraw/zinc/82/94/66/447829466.db2.gz VYHPBSCZYXROQT-HNNXBMFYSA-N 2 0 337.439 1.901 20 0 EDADRP CN(C)[C@@H](CNC(=O)c1ccc(-n2ccnc2)nn1)c1ccco1 ZINC000522953871 447865627 /nfs/dbraw/zinc/86/56/27/447865627.db2.gz GRDLJQLIBQQIPY-ZDUSSCGKSA-N 2 0 326.360 1.288 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CC[NH+](C)C1 ZINC000523649099 447895786 /nfs/dbraw/zinc/89/57/86/447895786.db2.gz OPSCXDGAOBAKRS-JKSUJKDBSA-N 2 0 339.480 1.204 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)C2)CCOCC1)c1ccccc1 ZINC000523665618 447897260 /nfs/dbraw/zinc/89/72/60/447897260.db2.gz MDLWEXJINKIBOO-AEFFLSMTSA-N 2 0 345.487 1.954 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H](C3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000497157678 447903680 /nfs/dbraw/zinc/90/36/80/447903680.db2.gz CZUJYLFTPUHBJR-VQIMIIECSA-N 2 0 349.475 1.609 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000575984925 447943391 /nfs/dbraw/zinc/94/33/91/447943391.db2.gz QDEQYPKSUTURBM-INIZCTEOSA-N 2 0 347.507 1.474 20 0 EDADRP O=C(CN1CCCC[C@H]1[C@@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000575991963 447947092 /nfs/dbraw/zinc/94/70/92/447947092.db2.gz JXMIDGMLIZCGDG-ROUUACIJSA-N 2 0 334.508 1.336 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000530575408 447916963 /nfs/dbraw/zinc/91/69/63/447916963.db2.gz OLFPOQSONNXJMR-FQEVSTJZSA-N 2 0 345.487 1.566 20 0 EDADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000575934575 447932764 /nfs/dbraw/zinc/93/27/64/447932764.db2.gz RDVBPTZVPWUFII-AWEZNQCLSA-N 2 0 326.448 1.783 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000524588921 447935437 /nfs/dbraw/zinc/93/54/37/447935437.db2.gz YPLGXCBQLRJJEJ-KRWDZBQOSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)C2CCN(Cc3nccn3C)CC2)C1 ZINC000530888864 447978819 /nfs/dbraw/zinc/97/88/19/447978819.db2.gz AMWIREKACMKPKV-HNNXBMFYSA-N 2 0 333.480 1.090 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000525332431 447996221 /nfs/dbraw/zinc/99/62/21/447996221.db2.gz MJQGRLHTRXLQOL-IBGZPJMESA-N 2 0 331.460 1.178 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804201 448028118 /nfs/dbraw/zinc/02/81/18/448028118.db2.gz MDVFYFAXNQVATK-SJLPKXTDSA-N 2 0 330.476 1.752 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294585 448056255 /nfs/dbraw/zinc/05/62/55/448056255.db2.gz OWZLYRHRHMQGAL-UYAOXDASSA-N 2 0 347.503 1.716 20 0 EDADRP CCn1ccnc1CN(C(=O)CC1(C[NH3+])CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000570451410 448017125 /nfs/dbraw/zinc/01/71/25/448017125.db2.gz MEASBAZLJSLORE-HNNXBMFYSA-N 2 0 345.491 1.503 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)/C=C\C[NH+](C)C)cc2)CC1 ZINC000491647443 448070814 /nfs/dbraw/zinc/07/08/14/448070814.db2.gz WMYNXLMAGUTIIF-WAYWQWQTSA-N 2 0 344.503 1.558 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000576576490 448087656 /nfs/dbraw/zinc/08/76/56/448087656.db2.gz DTURQBGMRCMOMG-GOSISDBHSA-N 2 0 336.476 1.825 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000501742043 448095716 /nfs/dbraw/zinc/09/57/16/448095716.db2.gz AAMWXXATCONZFM-UGUYLWEFSA-N 2 0 326.485 1.220 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1=CC[NH2+]CC1 ZINC000571149344 448111037 /nfs/dbraw/zinc/11/10/37/448111037.db2.gz WCALBRNEGMACPX-MAUKXSAKSA-N 2 0 328.460 1.726 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000497052467 448158158 /nfs/dbraw/zinc/15/81/58/448158158.db2.gz HNYYHIGHIXHFGD-ZIAGYGMSSA-N 2 0 331.501 1.780 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000571156472 448112037 /nfs/dbraw/zinc/11/20/37/448112037.db2.gz DBKSBZXHLQKKIA-ZWKOTPCHSA-N 2 0 331.508 1.973 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@@H]1[NH3+] ZINC000571184151 448120535 /nfs/dbraw/zinc/12/05/35/448120535.db2.gz UMXMYGYVYUJJEE-NXHRZFHOSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C)C1 ZINC000571311732 448134443 /nfs/dbraw/zinc/13/44/43/448134443.db2.gz ZNVNDYNRBRVPTB-KGLIPLIRSA-N 2 0 340.512 1.392 20 0 EDADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000576777865 448136571 /nfs/dbraw/zinc/13/65/71/448136571.db2.gz GYBVVZSDOCVAGD-GOSISDBHSA-N 2 0 349.475 1.276 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000571316250 448136997 /nfs/dbraw/zinc/13/69/97/448136997.db2.gz YQQWBOVVVSRQKV-HBFSDRIKSA-N 2 0 348.535 1.184 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000556705690 448138417 /nfs/dbraw/zinc/13/84/17/448138417.db2.gz KSYHVAHIBRLFDN-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)[C@@H]2CC[N@H+](C)C2)c1 ZINC000514626963 448175555 /nfs/dbraw/zinc/17/55/55/448175555.db2.gz NSDBPSXBHJGBCY-CQSZACIVSA-N 2 0 332.448 1.857 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000514780085 448202123 /nfs/dbraw/zinc/20/21/23/448202123.db2.gz VGBFAOXKXLJAEH-GOSISDBHSA-N 2 0 344.503 1.821 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000571895385 448230278 /nfs/dbraw/zinc/23/02/78/448230278.db2.gz DXJZDBDZEYRWQS-QZTJIDSGSA-N 2 0 330.476 1.684 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000515405915 448308236 /nfs/dbraw/zinc/30/82/36/448308236.db2.gz NKVXDRLWEHPFHK-BZSNNMDCSA-N 2 0 328.460 1.799 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000577392035 448285565 /nfs/dbraw/zinc/28/55/65/448285565.db2.gz IBXXIUSTMOJFLB-SJLPKXTDSA-N 2 0 346.475 1.365 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)COC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000572118517 448292039 /nfs/dbraw/zinc/29/20/39/448292039.db2.gz RDXXAVBYKILKGA-DOTOQJQBSA-N 2 0 341.496 1.008 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000515754308 448347313 /nfs/dbraw/zinc/34/73/13/448347313.db2.gz MCVPALFAFLDLMU-LJQANCHMSA-N 2 0 335.492 1.052 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)Cn3cncc3C)CC2)cc1 ZINC000527794505 448361414 /nfs/dbraw/zinc/36/14/14/448361414.db2.gz BQOFQCJXLXZHHK-UHFFFAOYSA-N 2 0 342.443 1.935 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000527652265 448331163 /nfs/dbraw/zinc/33/11/63/448331163.db2.gz KQPNJRQEWQDRRI-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])nc2)CC1 ZINC000566167628 448401339 /nfs/dbraw/zinc/40/13/39/448401339.db2.gz AEZMOTJHMWIIJL-ZBFHGGJFSA-N 2 0 331.464 1.680 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023582 448406017 /nfs/dbraw/zinc/40/60/17/448406017.db2.gz YLTJLWWQAWJUBA-UIJGJVKASA-N 2 0 337.512 1.065 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000566193019 448409884 /nfs/dbraw/zinc/40/98/84/448409884.db2.gz TYLFZGATFMXCSZ-CVEARBPZSA-N 2 0 339.528 1.362 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000572596064 448416171 /nfs/dbraw/zinc/41/61/71/448416171.db2.gz FNQATNRBFSRNSN-CRAIPNDOSA-N 2 0 334.460 1.813 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(Cc3ccsc3)CC2)C1 ZINC000577995588 448434494 /nfs/dbraw/zinc/43/44/94/448434494.db2.gz CCNNGHXHGMHARU-HNNXBMFYSA-N 2 0 336.505 1.063 20 0 EDADRP C[C@H](NC(=O)C1([NH3+])CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000584347922 448493189 /nfs/dbraw/zinc/49/31/89/448493189.db2.gz OHHPFOOPNUDKCZ-ZDUSSCGKSA-N 2 0 334.439 1.636 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000584351485 448495299 /nfs/dbraw/zinc/49/52/99/448495299.db2.gz LQULKOQAZNNNTO-CABCVRRESA-N 2 0 348.491 1.339 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000516925782 448498191 /nfs/dbraw/zinc/49/81/91/448498191.db2.gz FBHWHONWIXDOGZ-HOTGVXAUSA-N 2 0 347.507 1.856 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000528374919 448504326 /nfs/dbraw/zinc/50/43/26/448504326.db2.gz ABVXWSKFCVDROK-OALUTQOASA-N 2 0 348.535 1.632 20 0 EDADRP COc1ccc(NC(=O)[C@H](C)N2CCN(c3ncc[nH]3)CC2)cc1 ZINC000573157135 448555615 /nfs/dbraw/zinc/55/56/15/448555615.db2.gz CIOPWYBWIXBMST-ZDUSSCGKSA-N 2 0 329.404 1.568 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000578434463 448543391 /nfs/dbraw/zinc/54/33/91/448543391.db2.gz UXBQXNCQCQGAHS-UHFFFAOYSA-N 2 0 334.468 1.583 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)C2=O)n1 ZINC000517153933 448545383 /nfs/dbraw/zinc/54/53/83/448545383.db2.gz LAGIBDZUFJLJOG-XHSDSOJGSA-N 2 0 331.464 1.237 20 0 EDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000584726112 448611690 /nfs/dbraw/zinc/61/16/90/448611690.db2.gz WPSNMUDZGFATTN-LRDDRELGSA-N 2 0 340.855 1.356 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000517473831 448584280 /nfs/dbraw/zinc/58/42/80/448584280.db2.gz VIYBJCXLWUXKHE-MRXNPFEDSA-N 2 0 330.476 1.686 20 0 EDADRP [NH3+][C@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000578625039 448596240 /nfs/dbraw/zinc/59/62/40/448596240.db2.gz JSGXFEYBCYFLLH-CEXWTWQISA-N 2 0 342.487 1.887 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000573480871 448638515 /nfs/dbraw/zinc/63/85/15/448638515.db2.gz VQKQDJZSWLFAGC-QAPCUYQASA-N 2 0 334.460 1.813 20 0 EDADRP C[NH+](C)CC1(CNC(=O)N2CCNC[C@@H]2c2cccnc2)CCCC1 ZINC000573548294 448654948 /nfs/dbraw/zinc/65/49/48/448654948.db2.gz UHYHNKYJVZKEJN-QGZVFWFLSA-N 2 0 345.491 1.860 20 0 EDADRP CO[C@H](C)c1noc(CN2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000567276565 448656425 /nfs/dbraw/zinc/65/64/25/448656425.db2.gz NMPOGQQTNBTSOD-HUUCEWRRSA-N 2 0 337.468 1.284 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3CCC[N@H+](C)CC3)CC2)CC1 ZINC000578882175 448662496 /nfs/dbraw/zinc/66/24/96/448662496.db2.gz YGALJECKLBSXHA-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@H](Cc1c[nH]cn1)C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000578907080 448669459 /nfs/dbraw/zinc/66/94/59/448669459.db2.gz TWKNQZFLZYSRPT-OAHLLOKOSA-N 2 0 329.448 1.964 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@@H]2CCCO2)CC1 ZINC000517922894 448630032 /nfs/dbraw/zinc/63/00/32/448630032.db2.gz YJHWXHZCHOIBNO-CEXWTWQISA-N 2 0 333.476 1.105 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000579333254 448768859 /nfs/dbraw/zinc/76/88/59/448768859.db2.gz WHWPMVBHMKZJGV-HOTGVXAUSA-N 2 0 338.496 1.258 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000567678001 448733700 /nfs/dbraw/zinc/73/37/00/448733700.db2.gz GZLNMNZDVYBZKH-YJBOKZPZSA-N 2 0 334.460 1.647 20 0 EDADRP Cc1cc(CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)nc(N2CCCC2)n1 ZINC000519138343 448744104 /nfs/dbraw/zinc/74/41/04/448744104.db2.gz WTGUVYZROYREEU-DLBZAZTESA-N 2 0 331.464 1.242 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1COCC[NH2+]1 ZINC000529289152 448809330 /nfs/dbraw/zinc/80/93/30/448809330.db2.gz YRDRWBWULZCWIP-KRWDZBQOSA-N 2 0 332.448 1.070 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCCC[NH2+]1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000519646024 448810657 /nfs/dbraw/zinc/81/06/57/448810657.db2.gz GMQTYNZISVAMDX-YTQUADARSA-N 2 0 345.487 1.924 20 0 EDADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C[C@H]1CCCC(C)(C)C1 ZINC000545992389 448812208 /nfs/dbraw/zinc/81/22/08/448812208.db2.gz PYYZHKWKXHTZFZ-KRWDZBQOSA-N 2 0 339.524 1.925 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340419 448769789 /nfs/dbraw/zinc/76/97/89/448769789.db2.gz IZMYYRSFQBQOQK-HZPDHXFCSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000519428808 448770216 /nfs/dbraw/zinc/77/02/16/448770216.db2.gz PGRSWBGDGAODGB-GOSISDBHSA-N 2 0 344.503 1.657 20 0 EDADRP O=C(c1cc(-n2ccnc2)ccn1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000567828370 448771283 /nfs/dbraw/zinc/77/12/83/448771283.db2.gz MSSKRKNFGHAMQE-HUUCEWRRSA-N 2 0 325.416 1.729 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000574023973 448771587 /nfs/dbraw/zinc/77/15/87/448771587.db2.gz GOZTUQQSEBTIES-HKUYNNGSSA-N 2 0 328.460 1.659 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000519476795 448773474 /nfs/dbraw/zinc/77/34/74/448773474.db2.gz MYTJYEMLIHYRJI-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000574142079 448798995 /nfs/dbraw/zinc/79/89/95/448798995.db2.gz YOOQJGMKOBDPNF-YLFCFFPRSA-N 2 0 338.496 1.031 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)ccn1 ZINC000529322365 448822672 /nfs/dbraw/zinc/82/26/72/448822672.db2.gz POWQWNNHILXUPD-HNNXBMFYSA-N 2 0 347.463 1.106 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000568191475 448832076 /nfs/dbraw/zinc/83/20/76/448832076.db2.gz JALRMPYWCIURQH-HZPDHXFCSA-N 2 0 341.521 1.041 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@H](C[NH3+])C3CCCC3)n2)CC1 ZINC000519748762 448833547 /nfs/dbraw/zinc/83/35/47/448833547.db2.gz QDROTZZMGHPXDM-HNNXBMFYSA-N 2 0 334.468 1.789 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[NH+](C4CCCCC4)CC3)c21 ZINC000592558682 448900325 /nfs/dbraw/zinc/90/03/25/448900325.db2.gz URVDWLDYLABNND-OAHLLOKOSA-N 2 0 345.491 1.810 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)Nc1cccnc1 ZINC000579943879 448915705 /nfs/dbraw/zinc/91/57/05/448915705.db2.gz WQBQQGFKBAYXFJ-MSOLQXFVSA-N 2 0 346.475 1.768 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579948574 448918590 /nfs/dbraw/zinc/91/85/90/448918590.db2.gz MZSSTCGYHZCZCY-MOPGFXCFSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000579838489 448891968 /nfs/dbraw/zinc/89/19/68/448891968.db2.gz YWIOHUGWKFGLRT-WFEDQXDTSA-N 2 0 329.444 1.144 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)c21 ZINC000592552798 448895743 /nfs/dbraw/zinc/89/57/43/448895743.db2.gz ZBBKLHMEXRJOOY-CABCVRRESA-N 2 0 331.464 1.181 20 0 EDADRP CN(CCC[NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000521587435 448998397 /nfs/dbraw/zinc/99/83/97/448998397.db2.gz VBAKNJAQTINSGV-GOSISDBHSA-N 2 0 347.507 1.355 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000569502272 449035148 /nfs/dbraw/zinc/03/51/48/449035148.db2.gz JGNPMWVHYQZCMF-SOUVJXGZSA-N 2 0 337.439 1.599 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H](C)C[C@@H](C)[NH3+])[NH+]1CCOCC1 ZINC000582120876 449016690 /nfs/dbraw/zinc/01/66/90/449016690.db2.gz WVAIBMXSPOFSEC-FMKPAKJESA-N 2 0 328.501 1.548 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000569449965 449027853 /nfs/dbraw/zinc/02/78/53/449027853.db2.gz UZBGGKYBRATTIY-IPMKNSEASA-N 2 0 333.476 1.105 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000521455803 448988968 /nfs/dbraw/zinc/98/89/68/448988968.db2.gz TVDGKKGDSSGSIY-RTBURBONSA-N 2 0 341.540 1.514 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@H]([NH+]4CCCCC4)C3)c21 ZINC000592960136 449083249 /nfs/dbraw/zinc/08/32/49/449083249.db2.gz YYWPTBFERDOSDX-CABCVRRESA-N 2 0 331.464 1.420 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192900 449062260 /nfs/dbraw/zinc/06/22/60/449062260.db2.gz ZAVUWCGDSUCTRR-IRXDYDNUSA-N 2 0 341.496 1.057 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)n1 ZINC000600130988 449206296 /nfs/dbraw/zinc/20/62/96/449206296.db2.gz BTDOSYYRWGDKRW-MRXNPFEDSA-N 2 0 348.491 1.622 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CNc3ccnn3C2)[C@H](C)C1 ZINC000604418173 449227838 /nfs/dbraw/zinc/22/78/38/449227838.db2.gz KAJHNMCLRBIBRK-IKGGRYGDSA-N 2 0 335.496 1.651 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)[C@H](C)C1 ZINC000604643700 449267908 /nfs/dbraw/zinc/26/79/08/449267908.db2.gz VZWDUDGZYOZWLT-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000595951939 449277154 /nfs/dbraw/zinc/27/71/54/449277154.db2.gz VWAKLLJFSPOYKK-WBVHZDCISA-N 2 0 345.443 1.042 20 0 EDADRP NC(=O)NC(=O)CC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596064015 449342629 /nfs/dbraw/zinc/34/26/29/449342629.db2.gz AICCINDHBYQJQT-MRXNPFEDSA-N 2 0 344.459 1.463 20 0 EDADRP C[NH+]1CCN(CCNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CC1 ZINC000605423891 449380002 /nfs/dbraw/zinc/38/00/02/449380002.db2.gz NTJUNKJOAALDSD-UHFFFAOYSA-N 2 0 339.443 1.224 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000605374279 449371552 /nfs/dbraw/zinc/37/15/52/449371552.db2.gz UZAAATSEBYOYMM-KRWDZBQOSA-N 2 0 345.491 1.438 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066444 449441372 /nfs/dbraw/zinc/44/13/72/449441372.db2.gz FREVQAPDQZWHQY-QFBILLFUSA-N 2 0 337.508 1.556 20 0 EDADRP CN(C)c1ncnc2c1cc(C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)n2C ZINC000617346066 449568219 /nfs/dbraw/zinc/56/82/19/449568219.db2.gz NKIUKXQBXZOBPQ-GFCCVEGCSA-N 2 0 344.463 1.637 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000614433021 449606513 /nfs/dbraw/zinc/60/65/13/449606513.db2.gz OYZSFCGIDDJLBM-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000600979092 449630396 /nfs/dbraw/zinc/63/03/96/449630396.db2.gz JOKDOXKXJLOIOZ-GOSISDBHSA-N 3 0 345.491 1.194 20 0 EDADRP C[C@H](C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000617505026 449650291 /nfs/dbraw/zinc/65/02/91/449650291.db2.gz UBTDATYYMLHJFK-MWDXBVQZSA-N 2 0 326.529 1.636 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506813 449657176 /nfs/dbraw/zinc/65/71/76/449657176.db2.gz IYEVXASGZMLGGB-FUHWJXTLSA-N 2 0 334.508 1.147 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597055187 449787911 /nfs/dbraw/zinc/78/79/11/449787911.db2.gz CAGSSBVPNWTCNV-CQSZACIVSA-N 2 0 337.464 1.738 20 0 EDADRP C[C@H]1CN(CCNC(=O)c2cnn(-c3ccncc3)c2)[C@@H](C)CO1 ZINC000617720309 449769348 /nfs/dbraw/zinc/76/93/48/449769348.db2.gz AWGYBBXNVXGZQM-KBPBESRZSA-N 2 0 329.404 1.106 20 0 EDADRP CS[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH+](C)C ZINC000602800826 449819333 /nfs/dbraw/zinc/81/93/33/449819333.db2.gz VQAJQKNAHDBGEV-IPMKNSEASA-N 2 0 349.544 1.601 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000601328649 449836847 /nfs/dbraw/zinc/83/68/47/449836847.db2.gz WRTIITQMRDDOKT-CVEARBPZSA-N 2 0 326.485 1.269 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)[C@@H]3CC[N@@H+](C4CCCCC4)C3)C2)CC1 ZINC000615273077 450037327 /nfs/dbraw/zinc/03/73/27/450037327.db2.gz ORCSDFUBKZNNNY-GOSISDBHSA-N 2 0 348.535 1.347 20 0 EDADRP Cc1cccc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000616145876 450333530 /nfs/dbraw/zinc/33/35/30/450333530.db2.gz CCUJYSBGBPJCHD-UHFFFAOYSA-N 2 0 335.496 1.805 20 0 EDADRP CC[NH+]1CCC(N2CCCN(Cc3cncc(OC)n3)CC2)CC1 ZINC000625482002 450386512 /nfs/dbraw/zinc/38/65/12/450386512.db2.gz LANKCSAZEGONMK-UHFFFAOYSA-N 2 0 333.480 1.477 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000616781052 450483455 /nfs/dbraw/zinc/48/34/55/450483455.db2.gz DEKJEZUWPCLMGN-KLHDSHLOSA-N 2 0 340.512 1.210 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620484446 450502284 /nfs/dbraw/zinc/50/22/84/450502284.db2.gz LLWMOTUEZHNJQI-SFHVURJKSA-N 2 0 339.524 1.946 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(C)COC1 ZINC000625790460 450508306 /nfs/dbraw/zinc/50/83/06/450508306.db2.gz AJDNONMEAVBFJM-WMZOPIPTSA-N 2 0 345.487 1.734 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000623375169 450508950 /nfs/dbraw/zinc/50/89/50/450508950.db2.gz AVPICWFQAOTYGO-ZIAGYGMSSA-N 2 0 336.432 1.617 20 0 EDADRP C[NH+]1CCN(c2ncccc2CN[C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623379534 450509722 /nfs/dbraw/zinc/50/97/22/450509722.db2.gz WTNXTJQSFZSPEU-KRWDZBQOSA-N 2 0 331.508 1.796 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623485991 450530030 /nfs/dbraw/zinc/53/00/30/450530030.db2.gz IKKSQTVRUZKXMK-MRXNPFEDSA-N 2 0 345.553 1.899 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@@H](C)C1 ZINC000623621262 450553432 /nfs/dbraw/zinc/55/34/32/450553432.db2.gz UGSRCLUPHMNLCF-GVDBMIGSSA-N 2 0 340.512 1.517 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623663918 450562662 /nfs/dbraw/zinc/56/26/62/450562662.db2.gz HTTQHDCNQWDXHB-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000626089579 450573356 /nfs/dbraw/zinc/57/33/56/450573356.db2.gz WEXWMVGRZNKRJF-KRWDZBQOSA-N 2 0 325.497 1.018 20 0 EDADRP O[C@@H]1CCN(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000623758070 450578442 /nfs/dbraw/zinc/57/84/42/450578442.db2.gz OGYPYAKBHCQBAG-GOSISDBHSA-N 2 0 333.476 1.317 20 0 EDADRP CC(C)[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000621154999 450603728 /nfs/dbraw/zinc/60/37/28/450603728.db2.gz WRLWFSSVHYAOOP-LJQANCHMSA-N 2 0 344.503 1.504 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000633074213 450659207 /nfs/dbraw/zinc/65/92/07/450659207.db2.gz MRKWQMVFPACREU-SFHVURJKSA-N 2 0 330.476 1.963 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000635133530 450678903 /nfs/dbraw/zinc/67/89/03/450678903.db2.gz VIASVSHEYBVGRH-UHFFFAOYSA-N 2 0 338.455 1.905 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)C[C@@H]1C ZINC000633095509 450680286 /nfs/dbraw/zinc/68/02/86/450680286.db2.gz UMRBOCORMGQZKY-XHSDSOJGSA-N 2 0 338.496 1.048 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C34CCC[NH+](CCC3)C4)cn2)CC1 ZINC000635184278 450728104 /nfs/dbraw/zinc/72/81/04/450728104.db2.gz ZPRWEPGAGJZVFP-UHFFFAOYSA-N 2 0 343.475 1.648 20 0 EDADRP O[C@@H](CNCc1ccc(C[NH+]2CCC(O)CC2)cc1)C[NH+]1CCCC1 ZINC000629562364 450737045 /nfs/dbraw/zinc/73/70/45/450737045.db2.gz BQQRGAQXRYPOLQ-FQEVSTJZSA-N 2 0 347.503 1.190 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CC1=Cc2ccccc2OC1 ZINC000629653468 450772515 /nfs/dbraw/zinc/77/25/15/450772515.db2.gz JELREWBWXFBGHT-QGZVFWFLSA-N 2 0 329.444 1.782 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631758044 450753473 /nfs/dbraw/zinc/75/34/73/450753473.db2.gz PPCQAHVKRUBCMO-HOTGVXAUSA-N 2 0 333.542 1.616 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000621641841 450807296 /nfs/dbraw/zinc/80/72/96/450807296.db2.gz YMRXUZNLQRJNFU-INIZCTEOSA-N 2 0 330.476 1.942 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840275 450808852 /nfs/dbraw/zinc/80/88/52/450808852.db2.gz RBJSSNRHOCDUFW-OWCLPIDISA-N 2 0 348.466 1.389 20 0 EDADRP C[C@H](NC(=O)CC[C@@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000621651215 450815616 /nfs/dbraw/zinc/81/56/16/450815616.db2.gz ISVDMKXLKPWEEF-IRXDYDNUSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000631860195 450830731 /nfs/dbraw/zinc/83/07/31/450830731.db2.gz ILCZOZQWTQONSA-MAUKXSAKSA-N 2 0 330.476 1.320 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631940296 450897598 /nfs/dbraw/zinc/89/75/98/450897598.db2.gz SNFDDEDNWVZKRH-OAHLLOKOSA-N 2 0 333.542 1.758 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)C(C)(C)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000635404317 450913357 /nfs/dbraw/zinc/91/33/57/450913357.db2.gz AFAQPYJYYTUKRG-QFBILLFUSA-N 2 0 339.524 1.972 20 0 EDADRP CN1CCC(CNC(=O)C[N@H+](C)C2CCC2)([NH+]2CCCCC2)CC1 ZINC000629964990 450922463 /nfs/dbraw/zinc/92/24/63/450922463.db2.gz NNXLAPMCQDFWLJ-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635435620 450938279 /nfs/dbraw/zinc/93/82/79/450938279.db2.gz UKJWEMIGBUUAQP-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP Cc1ncc(C(F)(F)F)cc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000635503314 450997679 /nfs/dbraw/zinc/99/76/79/450997679.db2.gz SPGDDQLVKASICI-UHFFFAOYSA-N 2 0 346.397 1.974 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000626917658 451003513 /nfs/dbraw/zinc/00/35/13/451003513.db2.gz FDLJKMDLIVVQPL-UHFFFAOYSA-N 2 0 346.475 1.458 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]1 ZINC000626920928 451004902 /nfs/dbraw/zinc/00/49/02/451004902.db2.gz NWCFXZTZMVOKDM-HZPDHXFCSA-N 2 0 338.496 1.461 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000626934088 451016517 /nfs/dbraw/zinc/01/65/17/451016517.db2.gz BBWXONKIFBJBAR-ROUUACIJSA-N 2 0 346.475 1.111 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000626950388 451029719 /nfs/dbraw/zinc/02/97/19/451029719.db2.gz ZVPKEAPZECGWCY-UHFFFAOYSA-N 2 0 348.491 1.515 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635562084 451060889 /nfs/dbraw/zinc/06/08/89/451060889.db2.gz VVFWSHHCZVIVSA-KRWDZBQOSA-N 2 0 336.524 1.252 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000632160069 451080272 /nfs/dbraw/zinc/08/02/72/451080272.db2.gz SYZWSLYRWXIMIQ-ZWKOTPCHSA-N 2 0 341.459 1.620 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000627038811 451095291 /nfs/dbraw/zinc/09/52/91/451095291.db2.gz OJGPCJSWWDIDAI-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000635551584 451048717 /nfs/dbraw/zinc/04/87/17/451048717.db2.gz NWFKCYXGXXDGQG-MAUKXSAKSA-N 2 0 334.508 1.288 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627092619 451121242 /nfs/dbraw/zinc/12/12/42/451121242.db2.gz CNAXZAKXYNRNJH-ZBFHGGJFSA-N 2 0 326.485 1.304 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000627102559 451123883 /nfs/dbraw/zinc/12/38/83/451123883.db2.gz ONSQNWOSRHIRAP-CVEARBPZSA-N 2 0 338.496 1.400 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635705021 451184462 /nfs/dbraw/zinc/18/44/62/451184462.db2.gz RHHWUBVQMNPWFT-CEXWTWQISA-N 2 0 349.519 1.887 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000627238848 451204583 /nfs/dbraw/zinc/20/45/83/451204583.db2.gz PTXZSIUSYPNNCK-MAUKXSAKSA-N 2 0 345.491 1.480 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000627248041 451207383 /nfs/dbraw/zinc/20/73/83/451207383.db2.gz DDOMMDOLQLXNGW-SJORKVTESA-N 2 0 331.464 1.439 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000635745458 451215095 /nfs/dbraw/zinc/21/50/95/451215095.db2.gz WGIALBIOMQLTFM-ZWKOTPCHSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)CN1CC[NH2+]CC1 ZINC000638118623 451285944 /nfs/dbraw/zinc/28/59/44/451285944.db2.gz BQTBXZLTXLPTHQ-IAGOWNOFSA-N 2 0 344.503 1.164 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000638086396 451252112 /nfs/dbraw/zinc/25/21/12/451252112.db2.gz YYDGQAQGDIARRI-ZDUSSCGKSA-N 2 0 345.472 1.639 20 0 EDADRP CCC(CC)(CNC(=O)CN1CC[NH2+]CC1)[NH2+][C@@H](C)c1ccccc1 ZINC000638111104 451277996 /nfs/dbraw/zinc/27/79/96/451277996.db2.gz BYQZKCOLRWXACH-KRWDZBQOSA-N 2 0 346.519 1.917 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638112897 451280788 /nfs/dbraw/zinc/28/07/88/451280788.db2.gz WPNPJGPIKCDCLP-BJLQDIEVSA-N 2 0 345.487 1.734 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000638122108 451291949 /nfs/dbraw/zinc/29/19/49/451291949.db2.gz LJLWMLXQRBODOH-MRXNPFEDSA-N 2 0 347.434 1.833 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(OC)c2)C1 ZINC000638128888 451300425 /nfs/dbraw/zinc/30/04/25/451300425.db2.gz YZTRCNZCIFYPKH-ZWKOTPCHSA-N 2 0 349.475 1.654 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000638130936 451302571 /nfs/dbraw/zinc/30/25/71/451302571.db2.gz JWMMADJRIVYWIK-VDZJLULYSA-N 2 0 333.476 1.780 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000638138163 451312540 /nfs/dbraw/zinc/31/25/40/451312540.db2.gz WUXDBYMPVHSCNY-GOSISDBHSA-N 2 0 342.487 1.753 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000640444916 451321869 /nfs/dbraw/zinc/32/18/69/451321869.db2.gz OHPAPSFBXBLTQG-ZIAGYGMSSA-N 2 0 334.468 1.706 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)cn1 ZINC000638225087 451366840 /nfs/dbraw/zinc/36/68/40/451366840.db2.gz WIEPVGSNFMNRSX-UHFFFAOYSA-N 2 0 331.395 1.482 20 0 EDADRP C[C@@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)C[NH+]1CCN(C)CC1 ZINC000640563146 451407803 /nfs/dbraw/zinc/40/78/03/451407803.db2.gz QHNIKCFTKMRTDB-HNNXBMFYSA-N 2 0 348.495 1.148 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC1(O)CCC1 ZINC000630879417 451457665 /nfs/dbraw/zinc/45/76/65/451457665.db2.gz JTDHKPQJSOLJNO-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000638364717 451461036 /nfs/dbraw/zinc/46/10/36/451461036.db2.gz BRRGVLWHQJANOK-SOLBZPMBSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638365596 451463893 /nfs/dbraw/zinc/46/38/93/451463893.db2.gz GFIZLTFZOIIEBH-BHYGNILZSA-N 2 0 331.460 1.710 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638371705 451468572 /nfs/dbraw/zinc/46/85/72/451468572.db2.gz PCKOHQUJPZSBPM-UHFFFAOYSA-N 2 0 339.505 1.936 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638398528 451487966 /nfs/dbraw/zinc/48/79/66/451487966.db2.gz UXVROOWBBOAXLO-WMZOPIPTSA-N 2 0 344.503 1.708 20 0 EDADRP C[N@H+](C[C@@H](O)CN[C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000634723834 451503919 /nfs/dbraw/zinc/50/39/19/451503919.db2.gz DUORAMVBXAEZEL-BBRMVZONSA-N 2 0 330.831 1.947 20 0 EDADRP [NH3+]C1(CC(=O)NCC23CC(C2)C[NH2+]3)CCN(Cc2ccccc2)CC1 ZINC000638428604 451509993 /nfs/dbraw/zinc/50/99/93/451509993.db2.gz YPODFFLVUPIQKN-UHFFFAOYSA-N 2 0 342.487 1.238 20 0 EDADRP COc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)sn1 ZINC000638462169 451528900 /nfs/dbraw/zinc/52/89/00/451528900.db2.gz JQTRYSIGMILFCY-UHFFFAOYSA-N 2 0 347.488 1.849 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C34CCC4)cc2)CC1 ZINC000638505020 451549327 /nfs/dbraw/zinc/54/93/27/451549327.db2.gz IZCSVBIOUREPDB-GOSISDBHSA-N 2 0 342.487 1.843 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CC[C@@H]2CC[NH2+]C2)cc1 ZINC000638526469 451558957 /nfs/dbraw/zinc/55/89/57/451558957.db2.gz KULXJWGNUAZEDP-CQSZACIVSA-N 2 0 332.448 1.306 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccncc1Br)CN1CC[NH+](C)CC1 ZINC000631065474 451564273 /nfs/dbraw/zinc/56/42/73/451564273.db2.gz ZASYUBSADPHUFP-ZDUSSCGKSA-N 2 0 341.297 1.817 20 0 EDADRP CC1(C(=O)NCC2([NH3+])CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000638539913 451567681 /nfs/dbraw/zinc/56/76/81/451567681.db2.gz KNEQUDKWWQCYCN-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccnn3CC3CCC3)C2)CC1 ZINC000631070354 451568549 /nfs/dbraw/zinc/56/85/49/451568549.db2.gz VKAKIXBWMBLOSY-QGZVFWFLSA-N 2 0 331.508 1.941 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000638551189 451572917 /nfs/dbraw/zinc/57/29/17/451572917.db2.gz VBGJNLWZAPRDKM-NDKCEZKHSA-N 2 0 333.398 1.893 20 0 EDADRP COCCc1ncc(C[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000631082345 451573420 /nfs/dbraw/zinc/57/34/20/451573420.db2.gz DWJQIOUJHFEQEZ-UHFFFAOYSA-N 2 0 326.510 1.448 20 0 EDADRP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000638570947 451582019 /nfs/dbraw/zinc/58/20/19/451582019.db2.gz DITJISSGAHKQAZ-IRXDYDNUSA-N 2 0 325.497 1.759 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638601145 451599015 /nfs/dbraw/zinc/59/90/15/451599015.db2.gz ABUGDIPCESTDQS-INIZCTEOSA-N 2 0 325.497 1.711 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000638644826 451629343 /nfs/dbraw/zinc/62/93/43/451629343.db2.gz SKGCULPZKXIKLK-QAPCUYQASA-N 2 0 330.476 1.304 20 0 EDADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634979511 451635762 /nfs/dbraw/zinc/63/57/62/451635762.db2.gz GNXAMFTXRKJIIT-MRXNPFEDSA-N 2 0 331.460 1.918 20 0 EDADRP CO[C@]1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCOC1 ZINC000638717684 451665054 /nfs/dbraw/zinc/66/50/54/451665054.db2.gz BFJNPAPEOZIAMW-IBGZPJMESA-N 2 0 334.460 1.538 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000638762284 451682487 /nfs/dbraw/zinc/68/24/87/451682487.db2.gz DKPBGILZDMHTKG-HNNXBMFYSA-N 3 0 335.496 1.341 20 0 EDADRP C[C@H](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000638780801 451689260 /nfs/dbraw/zinc/68/92/60/451689260.db2.gz WTSSKKNIRSLDNF-BPQIPLTHSA-N 2 0 337.508 1.629 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000638880324 451717891 /nfs/dbraw/zinc/71/78/91/451717891.db2.gz ORLFACKIFQPUBS-FUHWJXTLSA-N 2 0 327.428 1.771 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638786731 451692134 /nfs/dbraw/zinc/69/21/34/451692134.db2.gz VHINZFDCESBVRC-DLBZAZTESA-N 2 0 325.497 1.615 20 0 EDADRP C[C@@H]1C[C@H](CC[NH2+]Cc2cnc(N)nc2N)C[N@@H+]1Cc1ccccc1 ZINC000638797153 451694292 /nfs/dbraw/zinc/69/42/92/451694292.db2.gz PASUQGRKPNXSIY-ZBFHGGJFSA-N 2 0 340.475 1.692 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](N)CC[NH+](C)C ZINC000638851618 451710614 /nfs/dbraw/zinc/71/06/14/451710614.db2.gz LAWOEQFPAZNGGC-BPQIPLTHSA-N 2 0 332.492 1.150 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000632961480 451670192 /nfs/dbraw/zinc/67/01/92/451670192.db2.gz ROTYCJJQPWAXBR-CYBMUJFWSA-N 2 0 334.468 1.741 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139404 451739276 /nfs/dbraw/zinc/73/92/76/451739276.db2.gz JYQAULOTGBSQBQ-ZNMIVQPWSA-N 2 0 338.452 1.075 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)cn2)CC1 ZINC000638978024 451744806 /nfs/dbraw/zinc/74/48/06/451744806.db2.gz RKLHCMKIRXYQRW-GOSISDBHSA-N 2 0 339.443 1.975 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2cc(N3CC[NH2+]CC3)ccn2)cc1 ZINC000638986127 451746347 /nfs/dbraw/zinc/74/63/47/451746347.db2.gz VRVVOKJGQJMVLJ-CYBMUJFWSA-N 2 0 325.416 1.763 20 0 EDADRP CCC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988092 451747892 /nfs/dbraw/zinc/74/78/92/451747892.db2.gz RWYBNWZXATUIEW-OAHLLOKOSA-N 2 0 345.447 1.221 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)C2 ZINC000637197622 451753686 /nfs/dbraw/zinc/75/36/86/451753686.db2.gz JWRQWLMSAMAVND-FUCXHRTASA-N 2 0 346.479 1.897 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000641168239 451768087 /nfs/dbraw/zinc/76/80/87/451768087.db2.gz QDJSUFIVSPJFSF-UHFFFAOYSA-N 2 0 337.427 1.717 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000641214241 451783607 /nfs/dbraw/zinc/78/36/07/451783607.db2.gz AOGOSDARGXZIAA-QGZVFWFLSA-N 2 0 329.448 1.238 20 0 EDADRP C[N@H+](C[C@H](O)Cn1cc([C@H]([NH3+])c2ccc(Cl)cc2)nn1)C1CC1 ZINC000641221026 451787326 /nfs/dbraw/zinc/78/73/26/451787326.db2.gz DVDVXNDWNPPWBO-GOEBONIOSA-N 2 0 335.839 1.435 20 0 EDADRP CC(C)[C@H]([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229376 451790659 /nfs/dbraw/zinc/79/06/59/451790659.db2.gz HZJPWYWFLXKKBO-ROUUACIJSA-N 2 0 329.448 1.571 20 0 EDADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000639303408 451816232 /nfs/dbraw/zinc/81/62/32/451816232.db2.gz LKMLXPGLHVHDSA-SJLPKXTDSA-N 2 0 326.481 1.519 20 0 EDADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639306657 451819094 /nfs/dbraw/zinc/81/90/94/451819094.db2.gz GJPSVYCTBRLJCW-UAGQMJEPSA-N 2 0 328.497 1.377 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC1CC[NH+](CC2CC2)CC1 ZINC000644525671 451841029 /nfs/dbraw/zinc/84/10/29/451841029.db2.gz UBKPJZUROWKPJC-HXUWFJFHSA-N 3 0 331.504 1.943 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000644563245 451864359 /nfs/dbraw/zinc/86/43/59/451864359.db2.gz WKRZLLLNPWWTOP-KDOFPFPSSA-N 2 0 349.475 1.705 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000642439319 451878482 /nfs/dbraw/zinc/87/84/82/451878482.db2.gz BHKWEZOHOVAZRH-HNNXBMFYSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000646847549 451885531 /nfs/dbraw/zinc/88/55/31/451885531.db2.gz ABCGEVMALPJZEC-QAPCUYQASA-N 2 0 331.460 1.473 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(COC)CCC[NH2+]1 ZINC000649281492 451954260 /nfs/dbraw/zinc/95/42/60/451954260.db2.gz MXAXDCZOJIDQTB-LJQANCHMSA-N 2 0 333.476 1.913 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000649290806 451966234 /nfs/dbraw/zinc/96/62/34/451966234.db2.gz UDPJBSKYASGMGE-QGZVFWFLSA-N 2 0 349.475 1.259 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649290628 451966304 /nfs/dbraw/zinc/96/63/04/451966304.db2.gz NYOLVUDRTBSALL-HNNXBMFYSA-N 2 0 338.402 1.407 20 0 EDADRP C[N@H+](CCN1CCO[C@H](CN2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000649296093 451970832 /nfs/dbraw/zinc/97/08/32/451970832.db2.gz CKXWDVBGWXPXBK-HXUWFJFHSA-N 2 0 346.519 1.067 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637608588 451971747 /nfs/dbraw/zinc/97/17/47/451971747.db2.gz WNPCLTCURYWHHN-WMZOPIPTSA-N 2 0 330.476 1.759 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649294402 451972000 /nfs/dbraw/zinc/97/20/00/451972000.db2.gz RPDJUGYXPXUKMB-OAHLLOKOSA-N 2 0 334.468 1.007 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](CC(C)C)C[NH+](C)C)cnn1C ZINC000649298942 451976860 /nfs/dbraw/zinc/97/68/60/451976860.db2.gz MKZFOQOOPHCABK-UAGQMJEPSA-N 2 0 335.496 1.124 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310535 451987729 /nfs/dbraw/zinc/98/77/29/451987729.db2.gz QVUBRIIDEPVHMV-UYAOXDASSA-N 2 0 345.487 1.436 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649312978 451991558 /nfs/dbraw/zinc/99/15/58/451991558.db2.gz SBAHMFZGFOCJPQ-INIZCTEOSA-N 2 0 349.500 1.718 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000649313815 451991691 /nfs/dbraw/zinc/99/16/91/451991691.db2.gz YPQHQOFRNQLNGY-BPUTZDHNSA-N 2 0 344.459 1.320 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000649321582 452000595 /nfs/dbraw/zinc/00/05/95/452000595.db2.gz CRWCBCGJFUKHPQ-WMZOPIPTSA-N 2 0 333.476 1.661 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000642976689 452005013 /nfs/dbraw/zinc/00/50/13/452005013.db2.gz MTJKYYYIGNGFMK-WMLDXEAASA-N 2 0 344.459 1.019 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327002 452007141 /nfs/dbraw/zinc/00/71/41/452007141.db2.gz NIUSDAJFGLERTC-JKSUJKDBSA-N 2 0 331.464 1.047 20 0 EDADRP c1ccc(-n2nnnc2CN2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639681621 452018788 /nfs/dbraw/zinc/01/87/88/452018788.db2.gz VZSFRFSNCMXELH-UHFFFAOYSA-N 2 0 335.415 1.770 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000649344745 452024362 /nfs/dbraw/zinc/02/43/62/452024362.db2.gz OEMJGMZEORZRSS-INIZCTEOSA-N 2 0 327.472 1.673 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000649344746 452024618 /nfs/dbraw/zinc/02/46/18/452024618.db2.gz OEMJGMZEORZRSS-MRXNPFEDSA-N 2 0 327.472 1.673 20 0 EDADRP C[N@H+](CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F)Cc1ccc(F)cc1 ZINC000649344202 452024952 /nfs/dbraw/zinc/02/49/52/452024952.db2.gz DMFCEGRKGSMEDF-AWEZNQCLSA-N 2 0 329.366 1.619 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000649351409 452035189 /nfs/dbraw/zinc/03/51/89/452035189.db2.gz VMKFAEOLIKIDOD-BBRMVZONSA-N 2 0 338.883 1.340 20 0 EDADRP C[C@@H](C(=O)Nc1ncccn1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000639705192 452042851 /nfs/dbraw/zinc/04/28/51/452042851.db2.gz UGHHNFUNBCHZNJ-AWEZNQCLSA-N 2 0 326.404 1.411 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000649366104 452044380 /nfs/dbraw/zinc/04/43/80/452044380.db2.gz ZIVJKUVGLQVOFD-CQSZACIVSA-N 2 0 337.489 1.637 20 0 EDADRP C[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[NH+](C)C ZINC000649368902 452045645 /nfs/dbraw/zinc/04/56/45/452045645.db2.gz RMCHOCVBNLSGJU-ZDUSSCGKSA-N 2 0 333.480 1.533 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CCCn2nccc21 ZINC000637764778 452064967 /nfs/dbraw/zinc/06/49/67/452064967.db2.gz FKIALVGUDOGDCR-INIZCTEOSA-N 2 0 348.495 1.385 20 0 EDADRP Cc1nn(C)c(C)c1CN1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000649414516 452075253 /nfs/dbraw/zinc/07/52/53/452075253.db2.gz DQKYAEUYGAXKFU-UHFFFAOYSA-N 2 0 333.524 1.934 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418226 452080331 /nfs/dbraw/zinc/08/03/31/452080331.db2.gz LCZMXBXGIYKPAE-RYRKJORJSA-N 2 0 345.491 1.627 20 0 EDADRP OCC[NH+](Cc1cncc(C[N@@H+](CCO)C2CCC2)c1)C1CCC1 ZINC000649470118 452099143 /nfs/dbraw/zinc/09/91/43/452099143.db2.gz PCYKQPBVBSJCCM-UHFFFAOYSA-N 2 0 333.476 1.775 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846730 452113269 /nfs/dbraw/zinc/11/32/69/452113269.db2.gz YPSUHGXUUBIEIS-MSOLQXFVSA-N 2 0 332.492 1.470 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000637861812 452119534 /nfs/dbraw/zinc/11/95/34/452119534.db2.gz JKHPWTLAPBZPRF-GOSISDBHSA-N 2 0 344.503 1.580 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)CCCC2 ZINC000637982747 452226709 /nfs/dbraw/zinc/22/67/09/452226709.db2.gz XAWCJVBMHVQHSU-UHFFFAOYSA-N 2 0 347.507 1.189 20 0 EDADRP Cn1ccnc1[C@H](C1CC1)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000637982716 452227051 /nfs/dbraw/zinc/22/70/51/452227051.db2.gz WLUHTJHKMLKCIV-INIZCTEOSA-N 2 0 333.480 1.261 20 0 EDADRP CO[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000637985701 452228945 /nfs/dbraw/zinc/22/89/45/452228945.db2.gz ATSCPFGUQKSIIM-IBGZPJMESA-N 2 0 340.508 1.862 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455480 452232925 /nfs/dbraw/zinc/23/29/25/452232925.db2.gz JYGUAGDYDPFDPV-QRVBRYPASA-N 2 0 338.540 1.293 20 0 EDADRP CCOc1c(OC)cc(C[N@H+](C)CCN2CC[NH2+]CC2)cc1OC ZINC000647492834 452235634 /nfs/dbraw/zinc/23/56/34/452235634.db2.gz CFPDJDQEYVEQMF-UHFFFAOYSA-N 2 0 337.464 1.440 20 0 EDADRP COc1ccc(-c2n[nH]cc2C[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000647492883 452236448 /nfs/dbraw/zinc/23/64/48/452236448.db2.gz GCEVRECLWHXLRR-UHFFFAOYSA-N 2 0 329.448 1.422 20 0 EDADRP O=C(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCC1 ZINC000643469730 452237321 /nfs/dbraw/zinc/23/73/21/452237321.db2.gz GFHMDZNUQZQXGA-QFBILLFUSA-N 2 0 329.444 1.891 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C1CCN(c2nccs2)CC1 ZINC000641769885 452244043 /nfs/dbraw/zinc/24/40/43/452244043.db2.gz FOFFUPDPEHHKKJ-OAHLLOKOSA-N 2 0 326.510 1.794 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c2ccccc2O1 ZINC000655451763 452246970 /nfs/dbraw/zinc/24/69/70/452246970.db2.gz WEOYZSBSERQORR-SPYBWZPUSA-N 2 0 329.444 1.732 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)[nH]1 ZINC000655459018 452252777 /nfs/dbraw/zinc/25/27/77/452252777.db2.gz YFKKJPRVIOVLKF-GUYCJALGSA-N 2 0 326.404 1.259 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1(C)C ZINC000657457918 452258107 /nfs/dbraw/zinc/25/81/07/452258107.db2.gz FIVIABUAULQYII-UHFFFAOYSA-N 3 0 328.464 1.383 20 0 EDADRP COC[C@]1(CNC(=O)N2CCCC[C@H]2[C@H]2CCC[NH2+]C2)CCC[NH2+]1 ZINC000641800368 452275633 /nfs/dbraw/zinc/27/56/33/452275633.db2.gz HVRZUWYOJOPNGQ-XYJFISCASA-N 2 0 338.496 1.319 20 0 EDADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647549441 452276476 /nfs/dbraw/zinc/27/64/76/452276476.db2.gz ZROFQXFZNFNBMN-BZUAXINKSA-N 2 0 329.444 1.780 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000641814530 452295216 /nfs/dbraw/zinc/29/52/16/452295216.db2.gz MLFHWVLHSRMQBJ-HOTGVXAUSA-N 2 0 338.496 1.100 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000643532200 452296536 /nfs/dbraw/zinc/29/65/36/452296536.db2.gz FZRRVAOCQYBGAY-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000641825296 452308727 /nfs/dbraw/zinc/30/87/27/452308727.db2.gz ZAOQSNONGLIHET-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659457746 452311020 /nfs/dbraw/zinc/31/10/20/452311020.db2.gz KFFATODAFKORKV-MSOLQXFVSA-N 2 0 334.508 1.892 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645340423 452317447 /nfs/dbraw/zinc/31/74/47/452317447.db2.gz RBEGAGPKPLRXJO-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC[N@@H+]1CCc3ccccc3C1)C2 ZINC000652127351 452324722 /nfs/dbraw/zinc/32/47/22/452324722.db2.gz OKUUEMXRRPXGFZ-ICSRJNTNSA-N 2 0 342.487 1.815 20 0 EDADRP [NH3+]C[C@H](NC(=O)c1ccccc1CC1CC[NH2+]CC1)C(F)(F)F ZINC000655515797 452326178 /nfs/dbraw/zinc/32/61/78/452326178.db2.gz LGQXNYRHABNHEC-AWEZNQCLSA-N 2 0 329.366 1.848 20 0 EDADRP CCNC(=O)CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606739 452332533 /nfs/dbraw/zinc/33/25/33/452332533.db2.gz VBBQADGWTNUBHH-UHFFFAOYSA-N 2 0 346.475 1.012 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](OCC)C2)CC1 ZINC000652144191 452338578 /nfs/dbraw/zinc/33/85/78/452338578.db2.gz YNHKGBXQIMFRHE-GDBMZVCRSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000657573959 452342596 /nfs/dbraw/zinc/34/25/96/452342596.db2.gz RAXWZURFSGXVDZ-INIZCTEOSA-N 2 0 330.480 1.629 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000659493074 452355474 /nfs/dbraw/zinc/35/54/74/452355474.db2.gz OWCYHUVADBEGKM-PBHICJAKSA-N 2 0 336.480 1.984 20 0 EDADRP CCN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@H+](C)C1 ZINC000663624100 452359272 /nfs/dbraw/zinc/35/92/72/452359272.db2.gz LEQCKZSCLCRHIF-SFHVURJKSA-N 2 0 330.476 1.780 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000652170944 452366650 /nfs/dbraw/zinc/36/66/50/452366650.db2.gz XHJRJIORSQDMNG-DLBZAZTESA-N 2 0 338.496 1.053 20 0 EDADRP CN(CC[NH+]1CCCCC1)CC(O)CN(C)CC[NH+]1CCCCC1 ZINC000649889393 452367023 /nfs/dbraw/zinc/36/70/23/452367023.db2.gz XCHQDPVCLAGFEF-UHFFFAOYSA-N 2 0 340.556 1.183 20 0 EDADRP CCc1nn(C)cc1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657598089 452369047 /nfs/dbraw/zinc/36/90/47/452369047.db2.gz YAXUSKRMYJZBKW-GOSISDBHSA-N 2 0 328.460 1.839 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000638066099 452369757 /nfs/dbraw/zinc/36/97/57/452369757.db2.gz YSOXGAWPJYCNMB-HKUYNNGSSA-N 2 0 331.460 1.666 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000638069053 452374123 /nfs/dbraw/zinc/37/41/23/452374123.db2.gz GVMSESCPAOTZQM-MJGOQNOKSA-N 2 0 331.460 1.318 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659513166 452378519 /nfs/dbraw/zinc/37/85/19/452378519.db2.gz GQOOTLJTCYHERW-COXVUDFISA-N 2 0 334.439 1.570 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N[C@H]1CC[NH2+]C1 ZINC000659517162 452381084 /nfs/dbraw/zinc/38/10/84/452381084.db2.gz XWKWYXFDDLGELX-ROUUACIJSA-N 2 0 342.487 1.950 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000638073563 452382657 /nfs/dbraw/zinc/38/26/57/452382657.db2.gz FFYXMWAJQXWMHD-RCCFBDPRSA-N 2 0 330.476 1.189 20 0 EDADRP C[C@]1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCC[NH2+]C1 ZINC000659531281 452393020 /nfs/dbraw/zinc/39/30/20/452393020.db2.gz ZEIUEEHTINFTID-LMMKCTJWSA-N 2 0 330.476 1.821 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH2+]CC1 ZINC000659543183 452400792 /nfs/dbraw/zinc/40/07/92/452400792.db2.gz TVLYVLIMAAUXKV-CQSZACIVSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000659555707 452411848 /nfs/dbraw/zinc/41/18/48/452411848.db2.gz OJKUEJWZCPMBEH-IDCNUPLLSA-N 2 0 346.475 1.407 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000647679249 452413744 /nfs/dbraw/zinc/41/37/44/452413744.db2.gz UQWMHYUYTLSDGW-ZWKOTPCHSA-N 2 0 334.508 1.290 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680268 452417168 /nfs/dbraw/zinc/41/71/68/452417168.db2.gz DXNILOGINFWCCE-ULQDDVLXSA-N 2 0 339.528 1.184 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657650784 452419559 /nfs/dbraw/zinc/41/95/59/452419559.db2.gz WABPJXMWULSOME-CQSZACIVSA-N 2 0 329.404 1.182 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)C[C@@H](C)O1 ZINC000645453361 452422070 /nfs/dbraw/zinc/42/20/70/452422070.db2.gz LWPHQMNEISNKMC-IIDMSEBBSA-N 2 0 345.487 1.910 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659580436 452434827 /nfs/dbraw/zinc/43/48/27/452434827.db2.gz AXFJBRFOAIZBJZ-MHORFTMASA-N 2 0 346.450 1.807 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[C@H]1[NH3+] ZINC000659582567 452438176 /nfs/dbraw/zinc/43/81/76/452438176.db2.gz UKHTVGANBZPYPH-WBQNTZJQSA-N 2 0 334.439 1.650 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659583295 452439270 /nfs/dbraw/zinc/43/92/70/452439270.db2.gz BCJOAFIFDGZZFS-IAGOWNOFSA-N 2 0 336.455 1.864 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000659589811 452446580 /nfs/dbraw/zinc/44/65/80/452446580.db2.gz WZOFQSOJUXDITO-WBQNTZJQSA-N 2 0 334.439 1.650 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000652268917 452456980 /nfs/dbraw/zinc/45/69/80/452456980.db2.gz PRWIJNYJCRSRBD-KRWDZBQOSA-N 2 0 334.439 1.958 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(c3cc(N4CCC(C)(O)CC4)ncn3)CC[C@H]21 ZINC000663720252 452457794 /nfs/dbraw/zinc/45/77/94/452457794.db2.gz HLJZEHVOTGBVNL-JKSUJKDBSA-N 2 0 345.491 1.748 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000659613551 452472286 /nfs/dbraw/zinc/47/22/86/452472286.db2.gz ALMLJGBOAHOKFG-OYBTXZFASA-N 2 0 340.471 1.512 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000652289823 452473469 /nfs/dbraw/zinc/47/34/69/452473469.db2.gz GFPXEPGWTXQQSX-GJZGRUSLSA-N 2 0 334.464 1.003 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655690062 452512721 /nfs/dbraw/zinc/51/27/21/452512721.db2.gz UDEJWWJUSBSORB-IEBWSBKVSA-N 2 0 338.540 1.245 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784020 452513277 /nfs/dbraw/zinc/51/32/77/452513277.db2.gz LAVSOSOYRVARST-RANZSIQMSA-N 2 0 346.475 1.138 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652345371 452517387 /nfs/dbraw/zinc/51/73/87/452517387.db2.gz ANSHVKBQRQJVOC-HDMKZQKVSA-N 2 0 347.459 1.852 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346649 452523488 /nfs/dbraw/zinc/52/34/88/452523488.db2.gz CQFQPHIFPSFBOJ-XDNAFOTISA-N 2 0 337.508 1.996 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1ccc3c(c1)OCO3)C2 ZINC000652351218 452528274 /nfs/dbraw/zinc/52/82/74/452528274.db2.gz NKYCAOWQRJECMY-UGSOOPFHSA-N 2 0 331.416 1.805 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C(C)C ZINC000652360186 452542215 /nfs/dbraw/zinc/54/22/15/452542215.db2.gz CGHMRMWXICGPSA-BRWVUGGUSA-N 2 0 325.497 1.993 20 0 EDADRP CS(=O)(=O)CC1(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000652364050 452544404 /nfs/dbraw/zinc/54/44/04/452544404.db2.gz VZMHWEIKAYCSCJ-KFWWJZLASA-N 2 0 330.494 1.172 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]CCCN1CCN(c2ccccc2)CC1 ZINC000657825563 452552404 /nfs/dbraw/zinc/55/24/04/452552404.db2.gz ADLZZGJOBCXPSJ-QGZVFWFLSA-N 2 0 328.464 1.469 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000654496069 452568862 /nfs/dbraw/zinc/56/88/62/452568862.db2.gz IPJWZPVGEKJGEY-XLNGHYISSA-N 2 0 338.496 1.004 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])c1 ZINC000659692621 452573528 /nfs/dbraw/zinc/57/35/28/452573528.db2.gz TYNHZRKIROFWJO-UHFFFAOYSA-N 2 0 348.491 1.340 20 0 EDADRP Cc1cnc(CCNC(=O)NCCN2CCC([NH+](C)C)CC2)c(C)c1 ZINC000654508508 452582885 /nfs/dbraw/zinc/58/28/85/452582885.db2.gz HCRGHZSHCPGSNK-UHFFFAOYSA-N 2 0 347.507 1.566 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659699176 452584558 /nfs/dbraw/zinc/58/45/58/452584558.db2.gz QXBTXVGJBRIZCW-OAHLLOKOSA-N 2 0 338.496 1.002 20 0 EDADRP O=C(C[N@@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1)N1CCCC1 ZINC000647854502 452587233 /nfs/dbraw/zinc/58/72/33/452587233.db2.gz UCVVOEUNWCWJNS-UHFFFAOYSA-N 2 0 327.432 1.697 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000657927040 452617139 /nfs/dbraw/zinc/61/71/39/452617139.db2.gz XFXVNAAKLHNUPM-GBESFXJTSA-N 2 0 340.508 1.786 20 0 EDADRP COCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881606 452620816 /nfs/dbraw/zinc/62/08/16/452620816.db2.gz RVHHXOBXWFQOOG-NVXWUHKLSA-N 2 0 325.497 1.629 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccccc1C(F)(F)F)C[C@H]1CC[NH2+]C1 ZINC000647881161 452621212 /nfs/dbraw/zinc/62/12/12/452621212.db2.gz IKGYEFZLHJVHGN-QWHCGFSZSA-N 2 0 332.366 1.986 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)COCC[NH3+])[NH+]1CCCCC1 ZINC000645639089 452642769 /nfs/dbraw/zinc/64/27/69/452642769.db2.gz WSCJDQUMPKHCOA-INIZCTEOSA-N 2 0 335.448 1.314 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000663982807 452688541 /nfs/dbraw/zinc/68/85/41/452688541.db2.gz NZIKTUNGMWMADU-INIZCTEOSA-N 2 0 341.544 1.290 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCSCC2)(N2CCOCC2)CC1 ZINC000658034048 452695740 /nfs/dbraw/zinc/69/57/40/452695740.db2.gz KCFHDUDBGPIYTL-MRXNPFEDSA-N 2 0 327.538 1.658 20 0 EDADRP Cc1ccc(CN2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940537 452710480 /nfs/dbraw/zinc/71/04/80/452710480.db2.gz UCMWYWZZEWECOP-SJORKVTESA-N 2 0 329.448 1.110 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977635 452724472 /nfs/dbraw/zinc/72/44/72/452724472.db2.gz FNYWVXKSJIXVSR-IRXDYDNUSA-N 2 0 340.475 1.916 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000658106271 452727952 /nfs/dbraw/zinc/72/79/52/452727952.db2.gz AEYWCXMJUNFXPI-KRWDZBQOSA-N 2 0 333.524 1.912 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C)[NH3+] ZINC000645737292 452736850 /nfs/dbraw/zinc/73/68/50/452736850.db2.gz XNNVTWCCPOYWJV-QAPCUYQASA-N 2 0 332.492 1.992 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658126769 452740158 /nfs/dbraw/zinc/74/01/58/452740158.db2.gz ZLDFHXCARRXQDV-INIZCTEOSA-N 2 0 346.475 1.676 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655959577 452741029 /nfs/dbraw/zinc/74/10/29/452741029.db2.gz UUFRTINCQNIFEY-IRXDYDNUSA-N 2 0 344.459 1.478 20 0 EDADRP CCS(=O)(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139676 452748650 /nfs/dbraw/zinc/74/86/50/452748650.db2.gz QXFXBPQCRPZTAU-WMLDXEAASA-N 2 0 340.489 1.166 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658288935 452831353 /nfs/dbraw/zinc/83/13/53/452831353.db2.gz HRFDUUUJEXWEQY-YZGWKJHDSA-N 2 0 347.503 1.322 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000648116467 452833121 /nfs/dbraw/zinc/83/31/21/452833121.db2.gz LNHWCRIPAKZTJP-RYQLBKOJSA-N 2 0 330.476 1.927 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119194 452834634 /nfs/dbraw/zinc/83/46/34/452834634.db2.gz XUCNDPVHANLFBD-ZNMIVQPWSA-N 2 0 348.516 1.989 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654728966 452842959 /nfs/dbraw/zinc/84/29/59/452842959.db2.gz BRHHBASIIJNAAV-HOTGVXAUSA-N 2 0 338.496 1.101 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000652698647 452846778 /nfs/dbraw/zinc/84/67/78/452846778.db2.gz HLAYHLMZNLJSLE-MRXNPFEDSA-N 2 0 340.512 1.104 20 0 EDADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000648142831 452855369 /nfs/dbraw/zinc/85/53/69/452855369.db2.gz APLFFPCJHYPTEO-OWCLPIDISA-N 2 0 346.479 1.054 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000662138676 452871559 /nfs/dbraw/zinc/87/15/59/452871559.db2.gz FGERDSZGHMWWHI-GOSISDBHSA-N 2 0 328.460 1.751 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000662162805 452903932 /nfs/dbraw/zinc/90/39/32/452903932.db2.gz RXAMFWILWVWGEM-BLLLJJGKSA-N 2 0 341.402 1.140 20 0 EDADRP Cn1nnc2c1CC[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000656199839 452955958 /nfs/dbraw/zinc/95/59/58/452955958.db2.gz FLWZBTSMDJMXMQ-CRFBAAHOSA-N 2 0 339.443 1.518 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)ccc1C[NH+](C)C ZINC000658429754 452959678 /nfs/dbraw/zinc/95/96/78/452959678.db2.gz WFDDHEGBCZLBRT-CQSZACIVSA-N 2 0 334.464 1.452 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNc2nccnc2NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000656211989 452964193 /nfs/dbraw/zinc/96/41/93/452964193.db2.gz VFDMRXDTAYIHNF-RUPPMWDTSA-N 2 0 332.496 1.981 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000652812404 452968909 /nfs/dbraw/zinc/96/89/09/452968909.db2.gz IQXBBDDWWZIMDC-IPMKNSEASA-N 2 0 343.471 1.440 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@@H](C)[NH+](C)C)CC1 ZINC000664303096 452980807 /nfs/dbraw/zinc/98/08/07/452980807.db2.gz KVEJLIGBLIMNGH-OAHLLOKOSA-N 2 0 328.501 1.515 20 0 EDADRP Cc1ccc(NC(=O)[C@@H]2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)nc1 ZINC000662259787 452988454 /nfs/dbraw/zinc/98/84/54/452988454.db2.gz BHZTUCBMDBXPGA-HZPDHXFCSA-N 2 0 344.459 1.562 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+][C@@H]1CCCN2CCCC[C@@H]12 ZINC000656278173 453004611 /nfs/dbraw/zinc/00/46/11/453004611.db2.gz PPLFDAGYWGSHKX-SJORKVTESA-N 2 0 327.428 1.889 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)C2=O)n1 ZINC000662292056 453014432 /nfs/dbraw/zinc/01/44/32/453014432.db2.gz LLRPDQIHIQTLHT-IRXDYDNUSA-N 2 0 345.491 1.627 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2sccn21 ZINC000662294268 453016252 /nfs/dbraw/zinc/01/62/52/453016252.db2.gz JZGISBRKYCUYLO-AWEZNQCLSA-N 2 0 332.473 1.968 20 0 EDADRP O=C1[C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000662299265 453021935 /nfs/dbraw/zinc/02/19/35/453021935.db2.gz WNISAOMNWMBCEY-OIISXLGYSA-N 2 0 327.428 1.103 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]([NH3+])CCc3ccccc32)CC1 ZINC000662300952 453024493 /nfs/dbraw/zinc/02/44/93/453024493.db2.gz AIGCLEQNFGUDFI-KRWDZBQOSA-N 2 0 344.503 1.756 20 0 EDADRP [NH3+][C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1F ZINC000662323666 453040174 /nfs/dbraw/zinc/04/01/74/453040174.db2.gz OQMXVCODGDXTBC-QZTJIDSGSA-N 2 0 348.466 1.270 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)ncn1 ZINC000662336746 453052726 /nfs/dbraw/zinc/05/27/26/453052726.db2.gz GIKZTRBKJNCKFD-OAHLLOKOSA-N 2 0 341.463 1.297 20 0 EDADRP Cc1nocc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337899 453055000 /nfs/dbraw/zinc/05/50/00/453055000.db2.gz NMYCSTSLWCCXAO-CQSZACIVSA-N 2 0 330.436 1.495 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662341509 453059034 /nfs/dbraw/zinc/05/90/34/453059034.db2.gz QRFYENUTEOSHTR-JKSUJKDBSA-N 2 0 339.443 1.491 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000664406101 453067857 /nfs/dbraw/zinc/06/78/57/453067857.db2.gz POYVJWJNDMDNDY-HLLBOEOZSA-N 3 0 339.528 1.040 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662387153 453096761 /nfs/dbraw/zinc/09/67/61/453096761.db2.gz BWSQRMWQRJDRQL-GJZGRUSLSA-N 2 0 333.480 1.871 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000666770262 453134415 /nfs/dbraw/zinc/13/44/15/453134415.db2.gz QJRZXJZSCNECTJ-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000660216313 453137753 /nfs/dbraw/zinc/13/77/53/453137753.db2.gz RDXBPVRWSSZZMN-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000664505493 453148807 /nfs/dbraw/zinc/14/88/07/453148807.db2.gz QPHPBXQILJADGM-UHFFFAOYSA-N 3 0 341.544 1.290 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H](S(C)(=O)=O)C3)C2)CC1 ZINC000646139633 453148913 /nfs/dbraw/zinc/14/89/13/453148913.db2.gz JCOQXBIARLBOKH-HLLBOEOZSA-N 2 0 343.537 1.100 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662454537 453162906 /nfs/dbraw/zinc/16/29/06/453162906.db2.gz BTABSCQDTDBBQB-IAGOWNOFSA-N 2 0 330.476 1.041 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(-c3cccc(C[NH3+])c3)nn2)C1 ZINC000656449055 453190812 /nfs/dbraw/zinc/19/08/12/453190812.db2.gz XDSHFJYKWSJTBT-QGZVFWFLSA-N 2 0 329.448 1.761 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1 ZINC000655094762 453214860 /nfs/dbraw/zinc/21/48/60/453214860.db2.gz YYTDKQUSEKJVHT-ROUUACIJSA-N 2 0 333.476 1.665 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662508269 453224102 /nfs/dbraw/zinc/22/41/02/453224102.db2.gz XSPNDZXFBVILLD-UHFFFAOYSA-N 2 0 334.464 1.992 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000653047815 453231794 /nfs/dbraw/zinc/23/17/94/453231794.db2.gz VZLNAVAQSFVWFB-UHFFFAOYSA-N 2 0 325.416 1.245 20 0 EDADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662517491 453234895 /nfs/dbraw/zinc/23/48/95/453234895.db2.gz BXFDHORIMZTGFC-LLVKDONJSA-N 2 0 346.460 1.662 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666973708 453290462 /nfs/dbraw/zinc/29/04/62/453290462.db2.gz YTABWIVNFFZXHE-DLBZAZTESA-N 2 0 338.496 1.412 20 0 EDADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653111131 453297653 /nfs/dbraw/zinc/29/76/53/453297653.db2.gz FMHRSEHFJYLELV-ROUUACIJSA-N 3 0 332.492 1.388 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653111267 453297966 /nfs/dbraw/zinc/29/79/66/453297966.db2.gz KHJKWHRTLZBAOG-HZPDHXFCSA-N 2 0 337.533 1.995 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000666978711 453298660 /nfs/dbraw/zinc/29/86/60/453298660.db2.gz BYYHMCVQRCWZDC-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112854 453300399 /nfs/dbraw/zinc/30/03/99/453300399.db2.gz LEGGVYNAKNUQKL-MSOLQXFVSA-N 2 0 332.492 1.294 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662578820 453304866 /nfs/dbraw/zinc/30/48/66/453304866.db2.gz WXISNSLLTOSWGT-QGZVFWFLSA-N 2 0 346.475 1.992 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000648843535 453323679 /nfs/dbraw/zinc/32/36/79/453323679.db2.gz NYOZLADJFRMVBG-SJLPKXTDSA-N 2 0 336.524 1.344 20 0 EDADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)C1=O ZINC000660481119 453337529 /nfs/dbraw/zinc/33/75/29/453337529.db2.gz IZTIEVSXTSYOBI-AWEZNQCLSA-N 2 0 345.447 1.293 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150671 453338628 /nfs/dbraw/zinc/33/86/28/453338628.db2.gz JZHLBPQFEAJLOL-CABCVRRESA-N 2 0 326.872 1.338 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653152206 453339983 /nfs/dbraw/zinc/33/99/83/453339983.db2.gz FLZYNUCTVOYFFE-QZTJIDSGSA-N 2 0 328.460 1.945 20 0 EDADRP COC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000662637930 453352844 /nfs/dbraw/zinc/35/28/44/453352844.db2.gz MMJDFOQHPWTFDH-LJQANCHMSA-N 2 0 346.475 1.036 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384617 453358058 /nfs/dbraw/zinc/35/80/58/453358058.db2.gz LQJCZSIWFZUJLO-KFWWJZLASA-N 2 0 331.464 1.338 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000662660188 453373831 /nfs/dbraw/zinc/37/38/31/453373831.db2.gz ZNZIFRQPRUEGMO-RTBURBONSA-N 2 0 345.487 1.530 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000662664265 453378308 /nfs/dbraw/zinc/37/83/08/453378308.db2.gz VYWWGNFWGKCYRL-ZBFHGGJFSA-N 2 0 343.393 1.818 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@@H]1CCC[NH2+]C1 ZINC000653190155 453379971 /nfs/dbraw/zinc/37/99/71/453379971.db2.gz HIHQMNIDEVCGSQ-ZBRFXRBCSA-N 2 0 337.508 1.757 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC)C[NH+]2CCCC2)c1 ZINC000667067747 453383253 /nfs/dbraw/zinc/38/32/53/453383253.db2.gz DRPNRCKLJNYARP-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000646444115 453388363 /nfs/dbraw/zinc/38/83/63/453388363.db2.gz KJQIEDRJFDCIFX-ROUUACIJSA-N 2 0 331.460 1.683 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662675934 453394640 /nfs/dbraw/zinc/39/46/40/453394640.db2.gz QYTKRASMUCJPBU-AYOQOUSVSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000653214071 453403273 /nfs/dbraw/zinc/40/32/73/453403273.db2.gz FMBUEKFXJVMNCA-TXPKVOOTSA-N 2 0 331.460 1.555 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142998 453435307 /nfs/dbraw/zinc/43/53/07/453435307.db2.gz SKCWZIDCPPZKDQ-XJKSGUPXSA-N 2 0 330.432 1.169 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)n(C2CC[NH+](C)CC2)n1 ZINC000667176531 453453770 /nfs/dbraw/zinc/45/37/70/453453770.db2.gz UKEIONUKKFAFAT-UONOGXRCSA-N 2 0 334.468 1.850 20 0 EDADRP [NH3+]C1(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC2(CCC2)C1 ZINC000662746419 453474709 /nfs/dbraw/zinc/47/47/09/453474709.db2.gz LBSYNNGDTRUNFZ-UHFFFAOYSA-N 2 0 335.492 1.751 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000662757703 453496237 /nfs/dbraw/zinc/49/62/37/453496237.db2.gz LPYKAAKVVXEHBY-KZNAEPCWSA-N 2 0 330.476 1.219 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662760457 453498280 /nfs/dbraw/zinc/49/82/80/453498280.db2.gz ZEMABTMBJLRZES-IIAWOOMASA-N 2 0 348.466 1.882 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662789237 453524029 /nfs/dbraw/zinc/52/40/29/453524029.db2.gz VJABIGPGEAYMJV-GJZGRUSLSA-N 2 0 334.468 1.149 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655443972 453531979 /nfs/dbraw/zinc/53/19/79/453531979.db2.gz FMXWCVNQWVIWDJ-PKOBYXMFSA-N 2 0 331.460 1.633 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444919 453532129 /nfs/dbraw/zinc/53/21/29/453532129.db2.gz XMMIEADSJXQPSQ-ICSRJNTNSA-N 2 0 327.472 1.941 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655444334 453532883 /nfs/dbraw/zinc/53/28/83/453532883.db2.gz BZKYNKCOZFCRCE-ICSRJNTNSA-N 2 0 343.471 1.972 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)CCCC2)CC1 ZINC000655447832 453535259 /nfs/dbraw/zinc/53/52/59/453535259.db2.gz GVFALGYBLUNTNW-IEBWSBKVSA-N 2 0 349.519 1.916 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CCC[NH2+]C1 ZINC000646664119 453549219 /nfs/dbraw/zinc/54/92/19/453549219.db2.gz YHYDMOXZUQLCDO-RYQLBKOJSA-N 2 0 330.476 1.798 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)CC1 ZINC000667328926 453562956 /nfs/dbraw/zinc/56/29/56/453562956.db2.gz XDDFQZSTBOBCLF-GOSISDBHSA-N 2 0 330.476 1.998 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662846728 453567962 /nfs/dbraw/zinc/56/79/62/453567962.db2.gz UGVRBSYQSGXARM-RBUKOAKNSA-N 2 0 327.472 1.939 20 0 EDADRP CC[N@@H+]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000660786244 453573738 /nfs/dbraw/zinc/57/37/38/453573738.db2.gz IUPNKPBSMBVWFE-PKOBYXMFSA-N 2 0 346.519 1.822 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000659000183 453574747 /nfs/dbraw/zinc/57/47/47/453574747.db2.gz UZGQMCKYZFGTKR-INIZCTEOSA-N 2 0 348.495 1.688 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662859802 453575031 /nfs/dbraw/zinc/57/50/31/453575031.db2.gz OTVLUWSVSMTHOR-ROUUACIJSA-N 2 0 331.460 1.402 20 0 EDADRP CN(C(=O)c1cccc2c1C[NH2+]C2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900169 453593803 /nfs/dbraw/zinc/59/38/03/453593803.db2.gz JRAATRFBDDDIBD-QGZVFWFLSA-N 2 0 342.487 1.530 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659041696 453595432 /nfs/dbraw/zinc/59/54/32/453595432.db2.gz KTVRRCIXPZWGEG-DLBZAZTESA-N 2 0 332.448 1.905 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660833949 453596444 /nfs/dbraw/zinc/59/64/44/453596444.db2.gz JSFBCTNCSLXRCD-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659044988 453597570 /nfs/dbraw/zinc/59/75/70/453597570.db2.gz UBPLKZUJIHBFSE-DLBZAZTESA-N 2 0 332.448 1.905 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659044991 453598098 /nfs/dbraw/zinc/59/80/98/453598098.db2.gz UBPLKZUJIHBFSE-IAGOWNOFSA-N 2 0 332.448 1.905 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660847048 453604143 /nfs/dbraw/zinc/60/41/43/453604143.db2.gz MMGYOFXIPJQSKK-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP C([NH2+][C@@H](C1CC1)[C@@H]1CNCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233559 453617294 /nfs/dbraw/zinc/61/72/94/453617294.db2.gz KSBFECPDYJMNOB-OALUTQOASA-N 2 0 337.508 1.234 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000665240854 453620603 /nfs/dbraw/zinc/62/06/03/453620603.db2.gz ULJGFERAHQFCSK-AYOQOUSVSA-N 2 0 333.476 1.110 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659097572 453629902 /nfs/dbraw/zinc/62/99/02/453629902.db2.gz ADEMMYFONYSNMK-UHFFFAOYSA-N 2 0 332.448 1.117 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CC2(C[NH3+])CCCCC2)CCO1 ZINC000662971411 453629937 /nfs/dbraw/zinc/62/99/37/453629937.db2.gz ABCDMCNFUYPIJP-MRXNPFEDSA-N 2 0 325.497 1.855 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665290847 453638369 /nfs/dbraw/zinc/63/83/69/453638369.db2.gz MNODMQNJUMISEZ-HIFRSBDPSA-N 2 0 327.432 1.566 20 0 EDADRP [NH3+]Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)ccn1 ZINC000659351707 453725213 /nfs/dbraw/zinc/72/52/13/453725213.db2.gz MZLXGLVQPLKPME-IAGOWNOFSA-N 2 0 328.391 1.555 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C[C@H]1CCOC1)C1CC1 ZINC000665637425 453777803 /nfs/dbraw/zinc/77/78/03/453777803.db2.gz CLAOIBCBGHRADO-JKSUJKDBSA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000663444590 453800897 /nfs/dbraw/zinc/80/08/97/453800897.db2.gz CNSJIQHRYSWWDP-INIZCTEOSA-N 2 0 341.544 1.430 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000661397952 453809015 /nfs/dbraw/zinc/80/90/15/453809015.db2.gz SATYVSYMFGPGHP-INIZCTEOSA-N 2 0 331.464 1.786 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676092656 486663374 /nfs/dbraw/zinc/66/33/74/486663374.db2.gz NXOHKBBUMUXQRN-CYBMUJFWSA-N 2 0 344.419 1.052 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000673177775 486936584 /nfs/dbraw/zinc/93/65/84/486936584.db2.gz DJNNJMLOVAIOFT-KRWDZBQOSA-N 2 0 331.464 1.788 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802631 486973006 /nfs/dbraw/zinc/97/30/06/486973006.db2.gz XGCBRLHXTOVISP-DYVFJYSZSA-N 2 0 329.448 1.818 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000667837787 486986741 /nfs/dbraw/zinc/98/67/41/486986741.db2.gz HGRUARJOWREEBN-MRXNPFEDSA-N 2 0 330.432 1.774 20 0 EDADRP CN(c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1)S(C)(=O)=O ZINC000677242016 487019096 /nfs/dbraw/zinc/01/90/96/487019096.db2.gz WDERPLGREBPQAS-WBVHZDCISA-N 2 0 337.489 1.799 20 0 EDADRP Cn1ccnc1[C@@H]1CCN(C(=O)[C@H]2CCCN2Cc2ccccn2)C1 ZINC000677362700 487056563 /nfs/dbraw/zinc/05/65/63/487056563.db2.gz INNNHTXEDHUREQ-NVXWUHKLSA-N 2 0 339.443 1.796 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000673670587 487085723 /nfs/dbraw/zinc/08/57/23/487085723.db2.gz GNNJHUWZZAMONP-SFHVURJKSA-N 2 0 344.503 1.458 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000677484672 487099392 /nfs/dbraw/zinc/09/93/92/487099392.db2.gz OCPLNBHWBIKLCO-GOSISDBHSA-N 2 0 347.507 1.308 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862906 487138382 /nfs/dbraw/zinc/13/83/82/487138382.db2.gz ITTKLNMGVUSLNH-UHFFFAOYSA-N 2 0 332.408 1.357 20 0 EDADRP O=C(NCc1cnc2n1CCCC2)[C@H]1CCCN1Cc1ccccn1 ZINC000671923001 487155613 /nfs/dbraw/zinc/15/56/13/487155613.db2.gz QYSDOJGFLRURAH-QGZVFWFLSA-N 2 0 339.443 1.895 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000677859914 487184323 /nfs/dbraw/zinc/18/43/23/487184323.db2.gz IXVAWCNQZACVCX-HOTGVXAUSA-N 2 0 341.521 1.137 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000677981140 487218472 /nfs/dbraw/zinc/21/84/72/487218472.db2.gz VPWZKTQKTVZEKE-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(=O)n(C)c1=O ZINC000678138963 487257100 /nfs/dbraw/zinc/25/71/00/487257100.db2.gz FTHZZSAQBCZQCM-UHFFFAOYSA-N 2 0 348.491 1.172 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000678296981 487284170 /nfs/dbraw/zinc/28/41/70/487284170.db2.gz CFBVORVBZQGZDI-HDICACEKSA-N 2 0 333.476 1.146 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](C[C@H]3CCOC3)C2)CC1 ZINC000678635075 487345923 /nfs/dbraw/zinc/34/59/23/487345923.db2.gz BHGCKBZQQZZOIY-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675193017 487387386 /nfs/dbraw/zinc/38/73/86/487387386.db2.gz BOTAHIMPRLWYOD-INIZCTEOSA-N 2 0 331.464 1.788 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000675194416 487387931 /nfs/dbraw/zinc/38/79/31/487387931.db2.gz RBVJGBKCFLXZFE-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)c1cnc(CN(C)[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000675233561 487392116 /nfs/dbraw/zinc/39/21/16/487392116.db2.gz WUDXNMLTVZPZIW-CABCVRRESA-N 2 0 334.464 1.925 20 0 EDADRP CCN1C(=O)[C@@H]2CN(Cc3c(C)nc4ccccn43)CCN2C1=O ZINC000675248293 487392701 /nfs/dbraw/zinc/39/27/01/487392701.db2.gz JTJWLSFDBQRXIB-AWEZNQCLSA-N 2 0 327.388 1.111 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCN(C)S(C)(=O)=O)CC2)C1 ZINC000675746415 487440997 /nfs/dbraw/zinc/44/09/97/487440997.db2.gz HIAOALRUQZEQNL-WBVHZDCISA-N 2 0 345.553 1.901 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000675820988 487447595 /nfs/dbraw/zinc/44/75/95/487447595.db2.gz BOBWAPKLUCAALT-UHFFFAOYSA-N 2 0 348.491 1.501 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000676048834 487468735 /nfs/dbraw/zinc/46/87/35/487468735.db2.gz VQLLQTPMPHSGIU-YESZJQIVSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000669512671 485476557 /nfs/dbraw/zinc/47/65/57/485476557.db2.gz CCVLJCPQFIZCCA-RDTXWAMCSA-N 2 0 331.460 1.417 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000669537111 485518065 /nfs/dbraw/zinc/51/80/65/485518065.db2.gz XDGPMYUUGKRKIP-YESZJQIVSA-N 2 0 338.496 1.196 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669556098 485558994 /nfs/dbraw/zinc/55/89/94/485558994.db2.gz HBTVYHMAPXEGOA-MSOLQXFVSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987659 485614193 /nfs/dbraw/zinc/61/41/93/485614193.db2.gz ZPPBKURWVOXJDI-SQNIBIBYSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000669578661 485623014 /nfs/dbraw/zinc/62/30/14/485623014.db2.gz WNVRDWDPDQKGDL-BHYGNILZSA-N 2 0 338.496 1.541 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000669139211 485728371 /nfs/dbraw/zinc/72/83/71/485728371.db2.gz KXWYEZDFHQGNDZ-LJQANCHMSA-N 2 0 346.475 1.522 20 0 EDADRP CCCn1nccc1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668617314 485956157 /nfs/dbraw/zinc/95/61/57/485956157.db2.gz JPCBWKWIAALNJG-INIZCTEOSA-N 2 0 333.480 1.534 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000669365905 486013017 /nfs/dbraw/zinc/01/30/17/486013017.db2.gz TVGVCQXUDOZKFR-HOTGVXAUSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnn1C(F)F ZINC000668666528 486017065 /nfs/dbraw/zinc/01/70/65/486017065.db2.gz JAEVOWPJPPAFOE-UHFFFAOYSA-N 2 0 331.411 1.624 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)C1CCC1 ZINC000667812295 486089891 /nfs/dbraw/zinc/08/98/91/486089891.db2.gz IVGVTALTLZIKEX-IRXDYDNUSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000669418539 486137973 /nfs/dbraw/zinc/13/79/73/486137973.db2.gz PFUOSFCBNQNICK-YJBOKZPZSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000669459189 486213637 /nfs/dbraw/zinc/21/36/37/486213637.db2.gz KLYGVHATRQUZLR-KRWDZBQOSA-N 2 0 330.476 1.602 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000669482028 486244883 /nfs/dbraw/zinc/24/48/83/486244883.db2.gz OOQZSBLNETYMBL-BXUZGUMPSA-N 2 0 344.381 1.926 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483732 486249145 /nfs/dbraw/zinc/24/91/45/486249145.db2.gz KITSTLYQAHBBHS-QZTJIDSGSA-N 2 0 346.475 1.501 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000162274053 486646511 /nfs/dbraw/zinc/64/65/11/486646511.db2.gz MFHQIRJKFWTLBN-ROUUACIJSA-N 2 0 330.476 1.434 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000382653033 486646760 /nfs/dbraw/zinc/64/67/60/486646760.db2.gz BYEGJNSHFODILV-PKOBYXMFSA-N 2 0 335.492 1.132 20 0 EDADRP C[C@@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000133196005 491220086 /nfs/dbraw/zinc/22/00/86/491220086.db2.gz RAGQCGDMNNEKSH-RHSMWYFYSA-N 2 0 334.464 1.267 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000279051683 491240585 /nfs/dbraw/zinc/24/05/85/491240585.db2.gz PIWSOLVTDIUIJR-MRXNPFEDSA-N 2 0 330.432 1.366 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000668475280 491176404 /nfs/dbraw/zinc/17/64/04/491176404.db2.gz OKYXDIAONCBLQU-HNNXBMFYSA-N 2 0 346.475 1.144 20 0 EDADRP CC(C)Cn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000346665613 534897109 /nfs/dbraw/zinc/89/71/09/534897109.db2.gz DCTHQOWADCOJCC-FUHWJXTLSA-N 2 0 347.507 1.619 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)CC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000261908543 535103171 /nfs/dbraw/zinc/10/31/71/535103171.db2.gz WDZMDUVTJPMMKY-NVXWUHKLSA-N 2 0 325.497 1.629 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CC2CCCC2)C1 ZINC000069227695 535110611 /nfs/dbraw/zinc/11/06/11/535110611.db2.gz HDEVTXCSVBBZGS-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000236613246 535203757 /nfs/dbraw/zinc/20/37/57/535203757.db2.gz VXVFBOFFYLSCKE-GOSISDBHSA-N 2 0 330.476 1.684 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262887181 535353253 /nfs/dbraw/zinc/35/32/53/535353253.db2.gz ZPAZWTHMWXLDKR-INIZCTEOSA-N 2 0 333.480 1.659 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)[C@H](C)[NH3+])cc1 ZINC000262522873 535539738 /nfs/dbraw/zinc/53/97/38/535539738.db2.gz JFRRGMFMVAZGAX-KGLIPLIRSA-N 2 0 334.464 1.680 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](c2nc(C[C@@H](C)[NH2+]C)no2)CC1=O ZINC000261902957 535551222 /nfs/dbraw/zinc/55/12/22/535551222.db2.gz YTDZVUFHKILHFW-HZSPNIEDSA-N 2 0 335.452 1.020 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@H]([NH3+])CC(C)C)no2)CC1=O ZINC000339389072 535551826 /nfs/dbraw/zinc/55/18/26/535551826.db2.gz MKIMCYVAIJBANJ-RRFJBIMHSA-N 2 0 349.479 1.916 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000267088295 535602695 /nfs/dbraw/zinc/60/26/95/535602695.db2.gz JZOZFTKUALJPQG-UHFFFAOYSA-N 2 0 333.476 1.715 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC1 ZINC000261653755 535684889 /nfs/dbraw/zinc/68/48/89/535684889.db2.gz DMDDFFXCHABMQF-UHFFFAOYSA-N 2 0 334.439 1.438 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000262640833 535692424 /nfs/dbraw/zinc/69/24/24/535692424.db2.gz KPZFINNTMXFIHI-GOSISDBHSA-N 2 0 332.492 1.090 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262375928 535753554 /nfs/dbraw/zinc/75/35/54/535753554.db2.gz MIGWMAOAWUGHAA-HNNXBMFYSA-N 2 0 332.448 1.146 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333280065 535875376 /nfs/dbraw/zinc/87/53/76/535875376.db2.gz HLEOZYWEBVVNER-UAGQMJEPSA-N 2 0 343.475 1.988 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237027256 535951644 /nfs/dbraw/zinc/95/16/44/535951644.db2.gz QJYBMXILFNMBNK-HKUYNNGSSA-N 2 0 346.519 1.997 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609185 579456608 /nfs/dbraw/zinc/45/66/08/579456608.db2.gz OOSZBBCFSLVEJN-GOSISDBHSA-N 2 0 349.523 1.881 20 0 EDADRP C[C@@H]1CN(CCNC(=O)NCCCCNc2ccccn2)CCO1 ZINC000729605274 578584224 /nfs/dbraw/zinc/58/42/24/578584224.db2.gz HYZGWYMGHMOCGZ-OAHLLOKOSA-N 2 0 335.452 1.294 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccc3)cn2)CC1 ZINC000729929975 578602700 /nfs/dbraw/zinc/60/27/00/578602700.db2.gz GZLHMFIPRZYZAW-GOSISDBHSA-N 2 0 326.444 1.657 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760468855 580031471 /nfs/dbraw/zinc/03/14/71/580031471.db2.gz ZXDJZLRVIXZEPL-MRXNPFEDSA-N 2 0 342.553 1.149 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734265122 578805428 /nfs/dbraw/zinc/80/54/28/578805428.db2.gz MSFZTAQJLLKFLL-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CCCCC[NH3+])CC1 ZINC000746306701 579586165 /nfs/dbraw/zinc/58/61/65/579586165.db2.gz QZZVCMAMPCGXCD-UHFFFAOYSA-N 2 0 346.519 1.959 20 0 EDADRP CN(C(=O)CCN1CCOCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000746358062 579589320 /nfs/dbraw/zinc/58/93/20/579589320.db2.gz YMWYFJBMNPEHBW-IBGZPJMESA-N 2 0 345.487 1.832 20 0 EDADRP C[C@@H](CC[NH+]1CCC2(CC1)OCCO2)[NH+]1CCC2(CC1)OCCO2 ZINC000746499425 579598536 /nfs/dbraw/zinc/59/85/36/579598536.db2.gz KGZAQUXWIAOACU-INIZCTEOSA-N 2 0 340.464 1.443 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)F ZINC000749366125 579723030 /nfs/dbraw/zinc/72/30/30/579723030.db2.gz UTXSFUURVWPWPZ-LLVKDONJSA-N 2 0 327.366 1.761 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCC(C)(O)CC1 ZINC000749598197 579732125 /nfs/dbraw/zinc/73/21/25/579732125.db2.gz HLIRNQOHMIBOMQ-UHFFFAOYSA-N 2 0 342.528 1.595 20 0 EDADRP CC(C)(C)OC(=O)NC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000754408458 579902887 /nfs/dbraw/zinc/90/28/87/579902887.db2.gz NMMVYKZCKHDYHW-GJZGRUSLSA-N 2 0 327.469 1.336 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000756815401 579957502 /nfs/dbraw/zinc/95/75/02/579957502.db2.gz ZWFSEYHIRFUSRY-HOTGVXAUSA-N 2 0 326.554 1.913 20 0 EDADRP CC[S@](=O)CC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000770734630 580269816 /nfs/dbraw/zinc/26/98/16/580269816.db2.gz MUORJNBHOYVUAD-QFIPXVFZSA-N 2 0 343.924 1.950 20 0 EDADRP Cc1cc([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)n(C)n1 ZINC000793521628 580846947 /nfs/dbraw/zinc/84/69/47/580846947.db2.gz CXMLYHKDAYCMFC-OAHLLOKOSA-N 2 0 328.464 1.726 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891809235 590630874 /nfs/dbraw/zinc/63/08/74/590630874.db2.gz NXHLTMJBCSWJHT-OKZBNKHCSA-N 2 0 330.476 1.899 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)c1 ZINC000891815392 590633267 /nfs/dbraw/zinc/63/32/67/590633267.db2.gz AVZLQYZGBNGHJT-CALCHBBNSA-N 2 0 346.475 1.330 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857234 590658402 /nfs/dbraw/zinc/65/84/02/590658402.db2.gz SPCGRQVSDMTRIM-GXTWGEPZSA-N 2 0 336.402 1.845 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000891877568 590666860 /nfs/dbraw/zinc/66/68/60/590666860.db2.gz LXWRZUNLPOFRAJ-FGTMMUONSA-N 2 0 336.524 1.946 20 0 EDADRP CSC1(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[NH+](C)CC1 ZINC000891905391 590680821 /nfs/dbraw/zinc/68/08/21/590680821.db2.gz HKQWXNSGANIVRJ-AWEZNQCLSA-N 2 0 342.553 1.891 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000892006111 590739511 /nfs/dbraw/zinc/73/95/11/590739511.db2.gz WOTVRRYDXZPNMX-NJAFHUGGSA-N 2 0 330.476 1.806 20 0 EDADRP COCCC1(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000892043794 590769207 /nfs/dbraw/zinc/76/92/07/590769207.db2.gz WVXQBHKPWIBCBN-CQSZACIVSA-N 2 0 334.464 1.664 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000892057539 590774389 /nfs/dbraw/zinc/77/43/89/590774389.db2.gz OWTCQEFYJMUMJB-QGZVFWFLSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000892090759 590794116 /nfs/dbraw/zinc/79/41/16/590794116.db2.gz HYOXNBQREIRFFH-RHSMWYFYSA-N 2 0 331.464 1.819 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000892117965 590808572 /nfs/dbraw/zinc/80/85/72/590808572.db2.gz BAZBWUNVSJLNDL-WBVHZDCISA-N 2 0 330.476 1.951 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CCC1(C)C ZINC000892118513 590809730 /nfs/dbraw/zinc/80/97/30/590809730.db2.gz HARYZCPQSGZTJV-KRWDZBQOSA-N 2 0 330.476 1.999 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@@H]43)nc12 ZINC000893382137 590820236 /nfs/dbraw/zinc/82/02/36/590820236.db2.gz NBVKSYQAWTTYLU-ZBFHGGJFSA-N 2 0 327.432 1.531 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000892226468 590874702 /nfs/dbraw/zinc/87/47/02/590874702.db2.gz HNSSXSGISWAAAB-UHFFFAOYSA-N 2 0 334.464 1.364 20 0 EDADRP Cc1nccn1-c1ncccc1CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000892257067 590890371 /nfs/dbraw/zinc/89/03/71/590890371.db2.gz DYFAZOMETIELNZ-IYBDPMFKSA-N 2 0 340.431 1.279 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2C)Cc1ccccc1 ZINC000892263287 590895810 /nfs/dbraw/zinc/89/58/10/590895810.db2.gz TXEOWFMMTQDJQG-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000892277732 590907866 /nfs/dbraw/zinc/90/78/66/590907866.db2.gz WOEXINWNTDNTGC-UHFFFAOYSA-N 2 0 326.485 1.304 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)NCCOCCC[NH3+])CC1 ZINC000892291223 590918719 /nfs/dbraw/zinc/91/87/19/590918719.db2.gz MAMCYJSGICCSLY-UHFFFAOYSA-N 2 0 326.485 1.402 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892306373 590928476 /nfs/dbraw/zinc/92/84/76/590928476.db2.gz YCGAORCJAPMUGY-WOGUSJMUSA-N 2 0 342.487 1.900 20 0 EDADRP C[NH+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000892331259 590957039 /nfs/dbraw/zinc/95/70/39/590957039.db2.gz URGIRNOBGOUFNE-KURKYZTESA-N 2 0 330.476 1.725 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CCO1 ZINC000892376691 591000352 /nfs/dbraw/zinc/00/03/52/591000352.db2.gz CEHWIGREDKHANB-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000891340342 591050144 /nfs/dbraw/zinc/05/01/44/591050144.db2.gz QEKLSBCMQOUTNS-WBVHZDCISA-N 2 0 330.476 1.825 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000889406446 591055903 /nfs/dbraw/zinc/05/59/03/591055903.db2.gz RKYBKEJVZMGHFL-UHFFFAOYSA-N 2 0 339.443 1.950 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000892530796 591061402 /nfs/dbraw/zinc/06/14/02/591061402.db2.gz XWXNKUOUYKVQCZ-FGTMMUONSA-N 2 0 328.460 1.715 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891413817 591070403 /nfs/dbraw/zinc/07/04/03/591070403.db2.gz BQVMBGJSCFULMT-JKSUJKDBSA-N 2 0 338.496 1.176 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892562996 591073699 /nfs/dbraw/zinc/07/36/99/591073699.db2.gz PYVBGMQANPXKNG-KSZLIROESA-N 2 0 345.491 1.815 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)[C@H]1OC ZINC000892596602 591086889 /nfs/dbraw/zinc/08/68/89/591086889.db2.gz QUCOBGMNGINDGP-YQVWRLOYSA-N 2 0 348.491 1.506 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCCC(C)(C)[NH3+])CCCC2)CC1 ZINC000891530559 591107691 /nfs/dbraw/zinc/10/76/91/591107691.db2.gz KEZYBFRRYTZOLO-UHFFFAOYSA-N 2 0 340.512 1.837 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891528763 591108126 /nfs/dbraw/zinc/10/81/26/591108126.db2.gz KQTHXTOTCCJZSR-HZPDHXFCSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000891535532 591111559 /nfs/dbraw/zinc/11/15/59/591111559.db2.gz UFTZPJIVZVGLLK-AEFFLSMTSA-N 2 0 332.492 1.943 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000891563175 591129477 /nfs/dbraw/zinc/12/94/77/591129477.db2.gz ADFSBDUXASQHEH-VGWMRTNUSA-N 2 0 326.485 1.160 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000891578727 591133830 /nfs/dbraw/zinc/13/38/30/591133830.db2.gz ZVGYHPUJAUBJSU-ZWKOTPCHSA-N 2 0 328.460 1.484 20 0 EDADRP Cn1cnc(CNC(=O)N[C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)c1 ZINC000893922553 591139157 /nfs/dbraw/zinc/13/91/57/591139157.db2.gz GRKJSJIPMWJMLG-HOTGVXAUSA-N 2 0 349.385 1.943 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCCCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000891597405 591141649 /nfs/dbraw/zinc/14/16/49/591141649.db2.gz ORDVVDJELSQHCK-SFHVURJKSA-N 2 0 344.503 1.999 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000891597299 591142485 /nfs/dbraw/zinc/14/24/85/591142485.db2.gz GVLFNPQWHPHKQU-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892756770 591161854 /nfs/dbraw/zinc/16/18/54/591161854.db2.gz RXLOTRPYEHJVMF-INIZCTEOSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)(C)C[NH+](C)C ZINC000891666484 591175272 /nfs/dbraw/zinc/17/52/72/591175272.db2.gz WKMFWTHHXXQCLO-QJPTWQEYSA-N 2 0 338.418 1.741 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891671527 591178911 /nfs/dbraw/zinc/17/89/11/591178911.db2.gz XSQBLNBDXBDFBV-ZIAGYGMSSA-N 2 0 332.439 1.508 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1Cc3ccccc3C[NH2+]1)C2 ZINC000892790045 591179762 /nfs/dbraw/zinc/17/97/62/591179762.db2.gz XJHUZJLSKHVFFD-SCTDSRPQSA-N 2 0 328.460 1.471 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)C1 ZINC000891694394 591188068 /nfs/dbraw/zinc/18/80/68/591188068.db2.gz MVAMEOFIYBFYOK-OIISXLGYSA-N 2 0 338.496 1.277 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000891703850 591193132 /nfs/dbraw/zinc/19/31/32/591193132.db2.gz IYJWKWMRICTZOU-LZWOXQAQSA-N 2 0 331.464 1.738 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)[C@H]1c1ccccc1 ZINC000891722359 591198887 /nfs/dbraw/zinc/19/88/87/591198887.db2.gz CLCBRPIFCBLLDF-WNRNVDISSA-N 2 0 328.460 1.968 20 0 EDADRP CC(C)([NH3+])CCNC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000892862223 591206522 /nfs/dbraw/zinc/20/65/22/591206522.db2.gz WCTXNIIFXKJPDM-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892882122 591214272 /nfs/dbraw/zinc/21/42/72/591214272.db2.gz DVNPMVFIAIBMNX-GFCCVEGCSA-N 2 0 337.493 1.354 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2COCCO2)c2c1OC(F)(F)O2 ZINC000894197342 591224175 /nfs/dbraw/zinc/22/41/75/591224175.db2.gz QIEVIYOBWOFDRX-ZDUSSCGKSA-N 2 0 344.358 1.575 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000892918719 591225335 /nfs/dbraw/zinc/22/53/35/591225335.db2.gz WHJAAWRYGUFVRK-UHFFFAOYSA-N 2 0 338.496 1.354 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000892923615 591226423 /nfs/dbraw/zinc/22/64/23/591226423.db2.gz KSRMGDDVNJQBIF-UHFFFAOYSA-N 2 0 326.485 1.352 20 0 EDADRP COC(=O)c1sccc1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000892947254 591235582 /nfs/dbraw/zinc/23/55/82/591235582.db2.gz ASTCHSNIOPEVOU-AWEZNQCLSA-N 2 0 337.489 1.793 20 0 EDADRP COC(=O)c1[nH]c2ccccc2c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000894306532 591273228 /nfs/dbraw/zinc/27/32/28/591273228.db2.gz ZYBXVYGWCRFERV-UHFFFAOYSA-N 2 0 331.416 1.501 20 0 EDADRP CN1CCN(C(=O)C2CCN(Cc3nc(C(C)(C)C)co3)CC2)CC1 ZINC000894451334 591315669 /nfs/dbraw/zinc/31/56/69/591315669.db2.gz KLCQSKZKVABGQF-UHFFFAOYSA-N 2 0 348.491 1.958 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)c2c1OC(F)(F)O2 ZINC000894461743 591318884 /nfs/dbraw/zinc/31/88/84/591318884.db2.gz WELPCMORPZXUFB-OAHLLOKOSA-N 2 0 344.358 1.311 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894482437 591321837 /nfs/dbraw/zinc/32/18/37/591321837.db2.gz FNMOHAXTEHKBDC-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897407807 591368239 /nfs/dbraw/zinc/36/82/39/591368239.db2.gz DSDDMYWPYDCOQJ-AYOQOUSVSA-N 2 0 343.471 1.344 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000894782687 591417407 /nfs/dbraw/zinc/41/74/07/591417407.db2.gz XHQXXLPECDOZQA-HZPDHXFCSA-N 2 0 343.487 1.626 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCCOCC2)[C@@H]1c1ccccc1 ZINC000897503101 591506141 /nfs/dbraw/zinc/50/61/41/591506141.db2.gz UUGKEPGYQYJYRW-ROUUACIJSA-N 2 0 331.460 1.518 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000897518054 591519057 /nfs/dbraw/zinc/51/90/57/591519057.db2.gz BTZREKJVUZHVIZ-HZPDHXFCSA-N 2 0 331.464 1.786 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(C3(O)CCOCC3)CC2)CC1 ZINC000896625394 591552853 /nfs/dbraw/zinc/55/28/53/591552853.db2.gz MIKUVOIIKJQVCQ-UHFFFAOYSA-N 2 0 326.481 1.133 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897640743 591602547 /nfs/dbraw/zinc/60/25/47/591602547.db2.gz QMYDOZAWOGPGKI-MSOLQXFVSA-N 2 0 335.492 1.620 20 0 EDADRP CSC1(CNC(=O)C2C[NH+](C3CCOCC3)C2)CC[NH+](C)CC1 ZINC000897798236 591672585 /nfs/dbraw/zinc/67/25/85/591672585.db2.gz ZZOSBDYIZCZLSY-UHFFFAOYSA-N 2 0 341.521 1.041 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895326207 591714068 /nfs/dbraw/zinc/71/40/68/591714068.db2.gz YIUOGWRWXPUKJH-ARFHVFGLSA-N 2 0 331.476 1.482 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000897057360 591725404 /nfs/dbraw/zinc/72/54/04/591725404.db2.gz ZQJHYGSOXWMQLV-ZACQAIPSSA-N 2 0 337.508 1.743 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC(C)(C)N2CCOCC2)[C@@H]1c1ccccc1 ZINC000895415051 591749801 /nfs/dbraw/zinc/74/98/01/591749801.db2.gz SAFVSASOTLBOLJ-ROUUACIJSA-N 2 0 345.487 1.906 20 0 EDADRP COCC[N@H+](C[C@H]1[C@H](C(=O)OC)C1(F)F)CC1CC[NH+](C)CC1 ZINC000895417331 591750072 /nfs/dbraw/zinc/75/00/72/591750072.db2.gz YDMADJNGZODMFU-UONOGXRCSA-N 2 0 334.407 1.331 20 0 EDADRP C[C@H]([NH2+]CCCc1nnnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898037949 591764573 /nfs/dbraw/zinc/76/45/73/591764573.db2.gz AGBSPNXPSMWYPY-RDJZCZTQSA-N 2 0 328.464 1.643 20 0 EDADRP COc1ccc(-c2cc(C[C@H](C[NH3+])CO)ccc2OC)c(C[NH3+])c1 ZINC000899323483 591774823 /nfs/dbraw/zinc/77/48/23/591774823.db2.gz PXYDSQCVOIDMRT-CQSZACIVSA-N 2 0 330.428 1.939 20 0 EDADRP Cc1ncc(C[NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)n1C ZINC000898288189 591854044 /nfs/dbraw/zinc/85/40/44/591854044.db2.gz GXQOWXPXQJCICF-UHFFFAOYSA-N 2 0 334.445 1.922 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900182807 591932159 /nfs/dbraw/zinc/93/21/59/591932159.db2.gz MTEDJRQSBMRVGF-UYAOXDASSA-N 2 0 345.487 1.484 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@H]1CCc2cncn2C1 ZINC000899808741 591946160 /nfs/dbraw/zinc/94/61/60/591946160.db2.gz IRMARDWALQXFIZ-GJZGRUSLSA-N 2 0 325.416 1.578 20 0 EDADRP O[C@@H](C[NH2+]CCCC[NH+]1CCOCC1)COc1ccc2cc[nH]c2c1 ZINC000899871136 591966663 /nfs/dbraw/zinc/96/66/63/591966663.db2.gz OWAHZIUJXXWTRE-KRWDZBQOSA-N 2 0 347.459 1.610 20 0 EDADRP CCOc1ccc(OC[C@@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909278 591975559 /nfs/dbraw/zinc/97/55/59/591975559.db2.gz AATYWVXXRPERQH-INIZCTEOSA-N 2 0 334.460 1.995 20 0 EDADRP COc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C3([NH3+])CC3)CC2)cc1OC ZINC000902348368 591977849 /nfs/dbraw/zinc/97/78/49/591977849.db2.gz USPYEUHPDARIGZ-ZDUSSCGKSA-N 2 0 347.459 1.778 20 0 EDADRP [NH2+]=C(NOCc1cnsn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000902323276 591978697 /nfs/dbraw/zinc/97/86/97/591978697.db2.gz BPHDFJHTGUTRGN-AWEZNQCLSA-N 2 0 333.417 1.438 20 0 EDADRP OCCOC1(C[NH2+][C@@H]2[C@H]3C[C@H]4C[NH2+][C@H]2[C@H]4C3)CCC(C(F)F)CC1 ZINC000902435802 591995011 /nfs/dbraw/zinc/99/50/11/591995011.db2.gz VBGKWBJNJADZGU-HYQZABQLSA-N 2 0 344.446 1.775 20 0 EDADRP [NH3+]CCC[C@H]([NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1)c1ccccc1 ZINC000902498826 592002839 /nfs/dbraw/zinc/00/28/39/592002839.db2.gz GCNLIHWACXYWQO-HOTGVXAUSA-N 2 0 327.432 1.831 20 0 EDADRP O=S1(=O)CCC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000902502071 592003814 /nfs/dbraw/zinc/00/38/14/592003814.db2.gz LJZJMOCQIPPXRO-QRTARXTBSA-N 2 0 336.457 1.409 20 0 EDADRP O=c1[nH]ncc(N2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)c1Cl ZINC000902520856 592010313 /nfs/dbraw/zinc/01/03/13/592010313.db2.gz PRTSZMKBAKBYGN-LPWJVIDDSA-N 2 0 337.855 1.392 20 0 EDADRP CN1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(OCCC[NH+](C)C)cc1 ZINC000900615631 592071454 /nfs/dbraw/zinc/07/14/54/592071454.db2.gz BPYFGLLEOOGJPN-MAUKXSAKSA-N 2 0 335.448 1.411 20 0 EDADRP C[NH+](C)CCN(C(=O)C1C[NH+](C2CCOCC2)C1)C1CCCCC1 ZINC000900659033 592083349 /nfs/dbraw/zinc/08/33/49/592083349.db2.gz MDGCKPKGOFJHHJ-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)CC1 ZINC000900686276 592094137 /nfs/dbraw/zinc/09/41/37/592094137.db2.gz DYBJNSYBXVIPON-LJQANCHMSA-N 2 0 339.524 1.804 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)CC(C)C ZINC000900685453 592094358 /nfs/dbraw/zinc/09/43/58/592094358.db2.gz TUACXXVKCAJOJX-WMZOPIPTSA-N 2 0 327.513 1.706 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C12CC[NH+](CC1)C2 ZINC000900703393 592098891 /nfs/dbraw/zinc/09/88/91/592098891.db2.gz LQVHJLMQSWDEDQ-UHFFFAOYSA-N 2 0 343.471 1.355 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900739648 592114255 /nfs/dbraw/zinc/11/42/55/592114255.db2.gz RLHSGHDBYNSDEB-MRXNPFEDSA-N 2 0 330.432 1.693 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CC[C@H](C(F)(F)F)O2)C1)N1CC[NH2+]CC1 ZINC000903422043 592170411 /nfs/dbraw/zinc/17/04/11/592170411.db2.gz UQGJDQVHQWXNNR-HZSPNIEDSA-N 2 0 349.397 1.240 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000903445996 592173090 /nfs/dbraw/zinc/17/30/90/592173090.db2.gz QPQYSDQWHXRZIA-QMHWVQJVSA-N 2 0 341.446 1.858 20 0 EDADRP CCOC(=O)c1ccc(N2CCC[N@H+](C[C@@H]3C[NH2+]C[C@H]3C)CC2)nc1 ZINC000903454634 592174274 /nfs/dbraw/zinc/17/42/74/592174274.db2.gz GSOSUCHFKGAXIV-WBVHZDCISA-N 2 0 346.475 1.626 20 0 EDADRP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496667 592187634 /nfs/dbraw/zinc/18/76/34/592187634.db2.gz XYVFBBFPYXHGFF-IJEWVQPXSA-N 2 0 349.475 1.625 20 0 EDADRP C(c1noc2c1CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508517 592189368 /nfs/dbraw/zinc/18/93/68/592189368.db2.gz JYVIXNVWCWMDKU-IYBDPMFKSA-N 2 0 330.476 1.954 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525061 592197799 /nfs/dbraw/zinc/19/77/99/592197799.db2.gz MFSFMBXSWXTIAG-XLIONFOSSA-N 2 0 343.471 1.400 20 0 EDADRP CN(C(=O)C[C@]1(O)CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901074268 592224164 /nfs/dbraw/zinc/22/41/64/592224164.db2.gz FHOXEXDMJUAWFD-AZUAARDMSA-N 2 0 345.487 1.566 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000906654505 592237345 /nfs/dbraw/zinc/23/73/45/592237345.db2.gz XJALVFSXRGIUIK-INIZCTEOSA-N 2 0 344.459 1.561 20 0 EDADRP COCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000904354164 592237765 /nfs/dbraw/zinc/23/77/65/592237765.db2.gz BTHVXEARCVVGPJ-OAHLLOKOSA-N 2 0 330.392 1.110 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000904368989 592239809 /nfs/dbraw/zinc/23/98/09/592239809.db2.gz PFDZQNHZTCIGGF-WMLDXEAASA-N 2 0 327.469 1.602 20 0 EDADRP Cc1cc(NC(=O)N2CC[C@@H]3CC[C@@]32C[NH3+])n(C2CC[NH+](C)CC2)n1 ZINC000904366811 592242482 /nfs/dbraw/zinc/24/24/82/592242482.db2.gz PYYVFEVYARLEMY-KBXCAEBGSA-N 2 0 346.479 1.803 20 0 EDADRP Cc1cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)ccc1-n1cncn1 ZINC000904392708 592243278 /nfs/dbraw/zinc/24/32/78/592243278.db2.gz XVKNYCJAWMIJJW-KRWDZBQOSA-N 2 0 341.459 1.906 20 0 EDADRP CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1C ZINC000906665444 592246950 /nfs/dbraw/zinc/24/69/50/592246950.db2.gz WBMVMYDUXJGYPZ-KGLIPLIRSA-N 2 0 346.475 1.760 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@H+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3N(C(=O)C(F)(F)F)C2)C1 ZINC000904381458 592247621 /nfs/dbraw/zinc/24/76/21/592247621.db2.gz PPMKWAVEACMYJD-XQZGEAEESA-N 2 0 331.382 1.455 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)cnn1C ZINC000904416975 592253040 /nfs/dbraw/zinc/25/30/40/592253040.db2.gz VQTCZPLVKFGHTB-QZTJIDSGSA-N 3 0 347.551 1.948 20 0 EDADRP C[NH+](C)C1CC(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000908009218 592260454 /nfs/dbraw/zinc/26/04/54/592260454.db2.gz BFSGTSVUTDUKFA-UHFFFAOYSA-N 2 0 345.487 1.713 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C2(c3ccc4c(c3)OCCO4)CC2)C1 ZINC000904470474 592268005 /nfs/dbraw/zinc/26/80/05/592268005.db2.gz XRJLPGDRDGNXJO-AWEZNQCLSA-N 2 0 345.443 1.234 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCC1 ZINC000906660119 592269838 /nfs/dbraw/zinc/26/98/38/592269838.db2.gz HQGJFOXNYPEESU-UHFFFAOYSA-N 2 0 332.448 1.419 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904577088 592285647 /nfs/dbraw/zinc/28/56/47/592285647.db2.gz MTDUBESKBTZKGH-AWEZNQCLSA-N 2 0 333.480 1.638 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904577091 592285828 /nfs/dbraw/zinc/28/58/28/592285828.db2.gz MTDUBESKBTZKGH-CQSZACIVSA-N 2 0 333.480 1.638 20 0 EDADRP CN(C[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903730768 592287059 /nfs/dbraw/zinc/28/70/59/592287059.db2.gz YZCTZYRZDXTHIS-ZWKOTPCHSA-N 2 0 343.471 1.882 20 0 EDADRP c1ccn2c(c1)nnc2C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732787 592288310 /nfs/dbraw/zinc/28/83/10/592288310.db2.gz HOIPYHNGSBVHAR-APWZRJJASA-N 2 0 341.459 1.677 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752932 592296908 /nfs/dbraw/zinc/29/69/08/592296908.db2.gz QHSGBWBPBZVLAZ-QAETUUGQSA-N 2 0 336.476 1.951 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)c1 ZINC000906731797 592298831 /nfs/dbraw/zinc/29/88/31/592298831.db2.gz HYPBEKYLGNUNKA-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP c1cc2c(c(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)c1)OCC[NH2+]C2 ZINC000904637969 592301077 /nfs/dbraw/zinc/30/10/77/592301077.db2.gz NLPOYNMGWVNJFE-DZGCQCFKSA-N 2 0 342.399 1.754 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742565 592304775 /nfs/dbraw/zinc/30/47/75/592304775.db2.gz XKUQDACPBHXHIJ-AABGKKOBSA-N 2 0 329.488 1.961 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767051 592309815 /nfs/dbraw/zinc/30/98/15/592309815.db2.gz SODKXNKEMUPLAV-IRXDYDNUSA-N 2 0 325.497 1.188 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000906755734 592316566 /nfs/dbraw/zinc/31/65/66/592316566.db2.gz DSPPCGZGAOPHEV-UHFFFAOYSA-N 2 0 332.448 1.275 20 0 EDADRP [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786905 592323120 /nfs/dbraw/zinc/32/31/20/592323120.db2.gz QEYSFSVPJBHSTE-YOEHRIQHSA-N 2 0 333.451 1.922 20 0 EDADRP Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cn1 ZINC000903829626 592335538 /nfs/dbraw/zinc/33/55/38/592335538.db2.gz IOWUZJFPWAFQGK-IKGGRYGDSA-N 2 0 336.505 1.669 20 0 EDADRP COC(=O)CCN1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)[C@@H](C)C1 ZINC000901320521 592340156 /nfs/dbraw/zinc/34/01/56/592340156.db2.gz DGRMROUGITZJKA-JYJNAYRXSA-N 2 0 337.464 1.099 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)Cc2ccc3c(c2)OCCO3)cnn1C ZINC000903877651 592357600 /nfs/dbraw/zinc/35/76/00/592357600.db2.gz ONWCVMFGZQEORX-MRXNPFEDSA-N 2 0 344.459 1.749 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@]2(CO)CCc3ccccc32)cnn1C ZINC000903902932 592372247 /nfs/dbraw/zinc/37/22/47/592372247.db2.gz PSZVDPVBJIXAKQ-KXBFYZLASA-N 2 0 328.460 1.270 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c1 ZINC000903904408 592372603 /nfs/dbraw/zinc/37/26/03/592372603.db2.gz UKQNAGMUELPBTM-ZNXRZULTSA-N 2 0 343.471 1.984 20 0 EDADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C[C@@]1(O)CCOC1 ZINC000905036867 592374199 /nfs/dbraw/zinc/37/41/99/592374199.db2.gz VYKPKLNFNCDTKN-OALUTQOASA-N 2 0 334.460 1.274 20 0 EDADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913931 592376027 /nfs/dbraw/zinc/37/60/27/592376027.db2.gz FTWOWDHKCROJFO-MAUKXSAKSA-N 2 0 349.479 1.614 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CNC[C@@H]2[NH2+]CCc3ccccc32)cnn1C ZINC000903920730 592377113 /nfs/dbraw/zinc/37/71/13/592377113.db2.gz WXFXPSASHSNEOY-BEFAXECRSA-N 2 0 327.476 1.323 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000903925498 592379483 /nfs/dbraw/zinc/37/94/83/592379483.db2.gz NMBAKEXJWFIWNP-PHSGOXPASA-N 2 0 343.471 1.916 20 0 EDADRP O[C@H](C[NH2+]Cc1cccc(CN2CCOCC2)c1)C1(O)CCCC1 ZINC000905051757 592380529 /nfs/dbraw/zinc/38/05/29/592380529.db2.gz HNVWDFWAEWFIAZ-GOSISDBHSA-N 2 0 334.460 1.274 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905051985 592380750 /nfs/dbraw/zinc/38/07/50/592380750.db2.gz YHUWHSKEOXKHEY-MOPGFXCFSA-N 2 0 336.476 1.519 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903931429 592384200 /nfs/dbraw/zinc/38/42/00/592384200.db2.gz DORGOZUPPSKYIO-MAUKXSAKSA-N 2 0 326.448 1.261 20 0 EDADRP CS(=O)(=O)[C@@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1C(F)(F)F ZINC000903933832 592385754 /nfs/dbraw/zinc/38/57/54/592385754.db2.gz WMRZBMFMDNLBAZ-ZLOUSURVSA-N 2 0 340.411 1.424 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000903955115 592395478 /nfs/dbraw/zinc/39/54/78/592395478.db2.gz KYGIHBMGNRCAFY-HNNXBMFYSA-N 2 0 327.419 1.961 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1 ZINC000905111324 592411780 /nfs/dbraw/zinc/41/17/80/592411780.db2.gz RZKRGCSNXAACKD-UHFFFAOYSA-N 2 0 335.536 1.789 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC4CC([NH3+])C4)n3)cn2)CC1 ZINC000904103697 592426858 /nfs/dbraw/zinc/42/68/58/592426858.db2.gz DBFDXAVQQWODQR-UHFFFAOYSA-N 2 0 342.447 1.553 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC[NH+]1CCCCC1)c1cccnc1 ZINC000905151425 592440213 /nfs/dbraw/zinc/44/02/13/592440213.db2.gz LBOVGTUNYKLRPK-QGZVFWFLSA-N 2 0 333.480 1.860 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000905173332 592454164 /nfs/dbraw/zinc/45/41/64/592454164.db2.gz GFKTYKABIJXWPH-FGTMMUONSA-N 2 0 340.508 1.400 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000905178177 592456385 /nfs/dbraw/zinc/45/63/85/592456385.db2.gz ZXXGCNPVBJFXIK-IKGGRYGDSA-N 2 0 326.481 1.010 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000904278787 592467804 /nfs/dbraw/zinc/46/78/04/592467804.db2.gz MKYIIMAHUAYZQE-BMGDILEWSA-N 2 0 343.475 1.761 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240901 592484900 /nfs/dbraw/zinc/48/49/00/592484900.db2.gz BHWIREOFHGCGCK-MSOLQXFVSA-N 2 0 334.460 1.001 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905293931 592486646 /nfs/dbraw/zinc/48/66/46/592486646.db2.gz BWZCSHSYTWUTNA-GFCCVEGCSA-N 2 0 347.372 1.551 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](C[NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905380523 592512304 /nfs/dbraw/zinc/51/23/04/592512304.db2.gz GRAMCLMRKGGQTP-RDJZCZTQSA-N 2 0 327.419 1.408 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000905398678 592520335 /nfs/dbraw/zinc/52/03/35/592520335.db2.gz YFERVLNHRRMRCX-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP CCn1c([C@H]2CN(C)C[C@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831712 592636324 /nfs/dbraw/zinc/63/63/24/592636324.db2.gz VYENWTIUUFLXGX-OIPACUDHSA-N 2 0 348.495 1.078 20 0 EDADRP CC[NH+]1CCC(NC(=O)Cn2cc(C[N@H+](C)C(C)(C)C)nn2)CC1 ZINC000905788607 592649224 /nfs/dbraw/zinc/64/92/24/592649224.db2.gz OIWZLKXJDRXFAQ-UHFFFAOYSA-N 2 0 336.484 1.109 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C[NH+]1CCCC1 ZINC000906645874 592865827 /nfs/dbraw/zinc/86/58/27/592865827.db2.gz MIEHEGQNRISORK-AWEZNQCLSA-N 2 0 346.475 1.667 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCC[C@@H](C)C1 ZINC000906645015 592865867 /nfs/dbraw/zinc/86/58/67/592865867.db2.gz IJJVGQHBXXRIIX-ZIAGYGMSSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCCCN1CC[NH2+]CC1 ZINC000911628674 592968912 /nfs/dbraw/zinc/96/89/12/592968912.db2.gz CPVPRMDIQWJXNL-IEBWSBKVSA-N 2 0 344.503 1.166 20 0 EDADRP [NH3+][C@H](CC(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccc(Br)cc1 ZINC000911674252 592979050 /nfs/dbraw/zinc/97/90/50/592979050.db2.gz RMAJAZYILJIPBT-UONOGXRCSA-N 2 0 340.265 1.577 20 0 EDADRP O=C(N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000911291360 592981480 /nfs/dbraw/zinc/98/14/80/592981480.db2.gz FJFHHPRAZATNGG-ZWKOTPCHSA-N 2 0 325.456 1.815 20 0 EDADRP [NH3+][C@]1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C[C@H]1c1ccccc1 ZINC000911736195 592992938 /nfs/dbraw/zinc/99/29/38/592992938.db2.gz QGTDRFSCXOAQRF-QFBILLFUSA-N 2 0 337.427 1.315 20 0 EDADRP C[NH2+]C1CC(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000911750537 592997070 /nfs/dbraw/zinc/99/70/70/592997070.db2.gz DBHVHPUPBQQOMO-ROKHWSDSSA-N 2 0 331.416 1.532 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000912203759 593071382 /nfs/dbraw/zinc/07/13/82/593071382.db2.gz CQAYMGZEHBDJJL-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000912589835 593106880 /nfs/dbraw/zinc/10/68/80/593106880.db2.gz IGKYJVDHLRESJI-OAHLLOKOSA-N 2 0 343.537 1.023 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(F)cn1 ZINC000806729822 593112128 /nfs/dbraw/zinc/11/21/28/593112128.db2.gz WLAAIINRSHQIPC-QGZVFWFLSA-N 2 0 336.455 1.638 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000810538248 593410920 /nfs/dbraw/zinc/41/09/20/593410920.db2.gz AGOFTCZJFSQZJU-YJBOKZPZSA-N 2 0 341.471 1.568 20 0 EDADRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cnnn1-c1ccccc1 ZINC000813326776 593526484 /nfs/dbraw/zinc/52/64/84/593526484.db2.gz AOOWDDCTGMOZLL-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP C[C@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000813330448 593527288 /nfs/dbraw/zinc/52/72/88/593527288.db2.gz XZXANUYVIVYWSZ-CRAIPNDOSA-N 2 0 345.487 1.790 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000817898735 593647203 /nfs/dbraw/zinc/64/72/03/593647203.db2.gz JOLKJMUKQPCKTM-BBRMVZONSA-N 2 0 338.423 1.770 20 0 EDADRP Cc1ccc([C@H](O)C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1 ZINC000818980699 593732050 /nfs/dbraw/zinc/73/20/50/593732050.db2.gz IIGOLPOJMYBYGE-LJQANCHMSA-N 2 0 340.471 1.965 20 0 EDADRP OC1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000818989767 593732601 /nfs/dbraw/zinc/73/26/01/593732601.db2.gz SNVNEHMENBUEHI-UHFFFAOYSA-N 2 0 332.492 1.879 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254867 593999010 /nfs/dbraw/zinc/99/90/10/593999010.db2.gz PAUUYCSTYXYLNB-HOCLYGCPSA-N 2 0 344.463 1.908 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821268108 594003649 /nfs/dbraw/zinc/00/36/49/594003649.db2.gz SXWSZNDGAHXAMG-GFCCVEGCSA-N 2 0 335.481 1.044 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568794 594039877 /nfs/dbraw/zinc/03/98/77/594039877.db2.gz CVHJYRIMAXWLKX-AWEZNQCLSA-N 2 0 343.479 1.543 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824586298 594042964 /nfs/dbraw/zinc/04/29/64/594042964.db2.gz XQRJHCLDHXQMHD-OAHLLOKOSA-N 2 0 343.479 1.545 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc(C[C@@H]3COCC[NH2+]3)n2)cc1 ZINC000822723375 594092056 /nfs/dbraw/zinc/09/20/56/594092056.db2.gz VDKRUJWGJXDGDH-CQSZACIVSA-N 2 0 332.404 1.208 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826029934 594310746 /nfs/dbraw/zinc/31/07/46/594310746.db2.gz YDWFMCYEDFUFFJ-INIZCTEOSA-N 2 0 342.447 1.290 20 0 EDADRP C[S@](=O)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000828094691 594340136 /nfs/dbraw/zinc/34/01/36/594340136.db2.gz YVNOMRQONKRFMP-QHCPKHFHSA-N 2 0 343.537 1.069 20 0 EDADRP c1cc(-c2nn[nH]n2)oc1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000826516251 594514438 /nfs/dbraw/zinc/51/44/38/594514438.db2.gz CYKYVJGQSFYHHR-UHFFFAOYSA-N 2 0 339.403 1.861 20 0 EDADRP CC[NH+](CC)CCSCC(=O)Nc1cc2n(n1)CCN(C)C2 ZINC000829441845 594613889 /nfs/dbraw/zinc/61/38/89/594613889.db2.gz OGVYPFRTJXZTER-UHFFFAOYSA-N 2 0 325.482 1.342 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH3+])c1)C1(N2CCOCC2)CCCC1 ZINC000831970557 594715569 /nfs/dbraw/zinc/71/55/69/594715569.db2.gz INEOEFXPJHCTCB-OAHLLOKOSA-N 2 0 331.460 1.909 20 0 EDADRP CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CCC([NH3+])CC1 ZINC000841835259 594960471 /nfs/dbraw/zinc/96/04/71/594960471.db2.gz MUHTWNGPGXYHHU-UHFFFAOYSA-N 2 0 344.503 1.997 20 0 EDADRP COCC[NH2+]CCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000841856694 594966394 /nfs/dbraw/zinc/96/63/94/594966394.db2.gz ZZBMLTHQSIEJBT-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)cc(Cl)n1 ZINC000834317030 595092643 /nfs/dbraw/zinc/09/26/43/595092643.db2.gz OLMRFFRFNIODOC-CYZMBNFOSA-N 2 0 326.828 1.008 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000846141237 595154918 /nfs/dbraw/zinc/15/49/18/595154918.db2.gz GSNQEEKSNSMICW-YESZJQIVSA-N 2 0 340.512 1.645 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1)N1CC[NH2+]CC1 ZINC000843047552 595272951 /nfs/dbraw/zinc/27/29/51/595272951.db2.gz VXIBUSMMAOEFFU-INIZCTEOSA-N 2 0 329.444 1.361 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000844169688 595289651 /nfs/dbraw/zinc/28/96/51/595289651.db2.gz BTCARMXAZFGKJZ-HKUYNNGSSA-N 2 0 343.471 1.633 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223568 595308017 /nfs/dbraw/zinc/30/80/17/595308017.db2.gz ZEFQTQDWSHSDLC-MRXNPFEDSA-N 2 0 346.475 1.523 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809004 595319421 /nfs/dbraw/zinc/31/94/21/595319421.db2.gz OKQMTHARNHEDEK-RHSMWYFYSA-N 2 0 327.469 1.242 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000844901555 595410480 /nfs/dbraw/zinc/41/04/80/595410480.db2.gz GPKCKYVMQXIXLU-XYJFISCASA-N 2 0 347.459 1.269 20 0 EDADRP COCCN1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C(C)(C)C1 ZINC000844949071 595418215 /nfs/dbraw/zinc/41/82/15/595418215.db2.gz LGONTKMMAQGKDO-SFHVURJKSA-N 2 0 343.487 1.768 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)n1 ZINC000847546978 595444692 /nfs/dbraw/zinc/44/46/92/595444692.db2.gz POSHHGWJQYMKPT-UHFFFAOYSA-N 2 0 333.411 1.898 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848893091 595464155 /nfs/dbraw/zinc/46/41/55/595464155.db2.gz PGAYQDWANCMZFN-MVGZEHJDSA-N 2 0 335.448 1.581 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000848896253 595464468 /nfs/dbraw/zinc/46/44/68/595464468.db2.gz WJORGVZNZOGTID-NFAHFFEMSA-N 2 0 347.459 1.724 20 0 EDADRP Cc1n[nH]cc1CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849071540 595477914 /nfs/dbraw/zinc/47/79/14/595477914.db2.gz DZYZSIOZTDWQST-UHFFFAOYSA-N 2 0 326.448 1.997 20 0 EDADRP CC[NH+](CC)CCOCCNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000849081576 595479587 /nfs/dbraw/zinc/47/95/87/595479587.db2.gz FINYPVMYIVPSSB-MRXNPFEDSA-N 2 0 334.464 1.983 20 0 EDADRP CCOc1ccc(OCC)c(NC(=[NH2+])NC[C@@H]2C[N@H+](C)CCN2C)c1 ZINC000849100841 595481873 /nfs/dbraw/zinc/48/18/73/595481873.db2.gz HWOXTISUJIDTOK-CQSZACIVSA-N 2 0 349.479 1.666 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](CO)c1ccc(OC)cc1 ZINC000849117112 595484622 /nfs/dbraw/zinc/48/46/22/595484622.db2.gz YSIQAPHJONBZNM-HZPDHXFCSA-N 2 0 334.464 1.369 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000852783462 595541014 /nfs/dbraw/zinc/54/10/14/595541014.db2.gz ZYHWQEAJHJHHTM-QAPCUYQASA-N 2 0 333.476 1.271 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CCC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849485873 595548138 /nfs/dbraw/zinc/54/81/38/595548138.db2.gz YTIVCGHJJUJGSU-QZTJIDSGSA-N 2 0 347.507 1.398 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000852854858 595577309 /nfs/dbraw/zinc/57/73/09/595577309.db2.gz RPLPDPKPOVBQOZ-DOTOQJQBSA-N 2 0 346.431 1.052 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)=NO1 ZINC000852859193 595581072 /nfs/dbraw/zinc/58/10/72/595581072.db2.gz OKCMDIGFHZTQBB-WBVHZDCISA-N 2 0 330.432 1.433 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583478 595581852 /nfs/dbraw/zinc/58/18/52/595581852.db2.gz UFZRTUSNAHHILA-HZPDHXFCSA-N 2 0 333.480 1.056 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000852862277 595583337 /nfs/dbraw/zinc/58/33/37/595583337.db2.gz YMEPKSHVESQEFH-WMZOPIPTSA-N 2 0 344.459 1.679 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)cn1 ZINC000849607963 595593090 /nfs/dbraw/zinc/59/30/90/595593090.db2.gz MMBYQIWLHQDWOU-IKGGRYGDSA-N 2 0 347.507 1.444 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849612219 595595289 /nfs/dbraw/zinc/59/52/89/595595289.db2.gz GXQHVZKTDQSJOE-BHYGNILZSA-N 2 0 335.496 1.300 20 0 EDADRP C[C@H](NC(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888222 595600529 /nfs/dbraw/zinc/60/05/29/595600529.db2.gz VNVQCWDYFHHLQE-IMJJTQAJSA-N 2 0 330.432 1.117 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853249187 595719220 /nfs/dbraw/zinc/71/92/20/595719220.db2.gz OFUAZVMFEFRYLM-HUUCEWRRSA-N 2 0 331.460 1.860 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(CN2CC[C@H](C(C)C)C2=O)C1 ZINC000853500826 595770873 /nfs/dbraw/zinc/77/08/73/595770873.db2.gz QANKMANNVYYRSS-IAGOWNOFSA-N 2 0 325.497 1.881 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000850431919 595832785 /nfs/dbraw/zinc/83/27/85/595832785.db2.gz MZWDTZZGPHBWQS-GTPINHCMSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2cc[nH+]c(CO)c2)C1 ZINC000858635114 595851753 /nfs/dbraw/zinc/85/17/53/595851753.db2.gz VDAOZXDLCAYIBB-LJQANCHMSA-N 2 0 326.444 1.802 20 0 EDADRP C[N@H+](CCN1CC[NH+](C[C@H]2COC(C)(C)O2)CC1)Cc1ccccc1 ZINC000851765216 595914901 /nfs/dbraw/zinc/91/49/01/595914901.db2.gz QMBVYGNEMCSIDP-IBGZPJMESA-N 2 0 347.503 1.888 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000856254763 595936715 /nfs/dbraw/zinc/93/67/15/595936715.db2.gz ZEGRWMBUVFIGSZ-KRWDZBQOSA-N 2 0 325.497 1.556 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000856255919 595936945 /nfs/dbraw/zinc/93/69/45/595936945.db2.gz KELWQJLAFCFXFU-CRAIPNDOSA-N 2 0 341.471 1.257 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C(C)C ZINC000861570613 596032582 /nfs/dbraw/zinc/03/25/82/596032582.db2.gz XONRJYFTVPIBIP-QGZVFWFLSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708053 596303475 /nfs/dbraw/zinc/30/34/75/596303475.db2.gz CNYJGPNHZMBZQS-NUJGCVRESA-N 2 0 345.443 1.841 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC000866714188 596306635 /nfs/dbraw/zinc/30/66/35/596306635.db2.gz IEJZMAKZKWETCI-DZUCGIPZSA-N 2 0 331.391 1.680 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])CC3)ccc2oc1=O ZINC000870875688 596386142 /nfs/dbraw/zinc/38/61/42/596386142.db2.gz GZMDICBLAOJIOG-BETUJISGSA-N 2 0 346.431 1.612 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)[C@@H](C)C1 ZINC000870887513 596391302 /nfs/dbraw/zinc/39/13/02/596391302.db2.gz CPYPRJYPNFSYMD-NXOAAHMSSA-N 2 0 325.497 1.757 20 0 EDADRP [NH3+]CC[C@H](NC(=O)c1csc(C2CC[NH2+]CC2)n1)C(F)(F)F ZINC000870945366 596414972 /nfs/dbraw/zinc/41/49/72/596414972.db2.gz SIZZHIUOVTXCNI-JTQLQIEISA-N 2 0 336.383 1.620 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)CC1 ZINC000870982056 596429277 /nfs/dbraw/zinc/42/92/77/596429277.db2.gz WSEYKBFDNGORIT-GOSISDBHSA-N 2 0 348.466 1.106 20 0 EDADRP CCOC(=O)C1=CC[C@@H]([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000863544063 596613771 /nfs/dbraw/zinc/61/37/71/596613771.db2.gz KDEAXCCTNVFSHN-UKRRQHHQSA-N 2 0 338.448 1.549 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H](CC[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863551049 596615248 /nfs/dbraw/zinc/61/52/48/596615248.db2.gz CKXBGCYTMKBADE-CVEARBPZSA-N 2 0 341.496 1.680 20 0 EDADRP COc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549966 596615318 /nfs/dbraw/zinc/61/53/18/596615318.db2.gz VWBUKBGSGZESSE-SJORKVTESA-N 2 0 331.416 1.452 20 0 EDADRP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863552705 596615873 /nfs/dbraw/zinc/61/58/73/596615873.db2.gz OGTLWSBENLOYTR-HZPDHXFCSA-N 2 0 341.496 1.822 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC[NH+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000868004158 596651667 /nfs/dbraw/zinc/65/16/67/596651667.db2.gz UNDNNMJEONEVHQ-OALUTQOASA-N 2 0 342.487 1.780 20 0 EDADRP c1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)nnn1[C@@H]1CCC[NH2+]CC1 ZINC000871800845 596702792 /nfs/dbraw/zinc/70/27/92/596702792.db2.gz XCMSGVQNUPTISM-WTUNAVPPSA-N 2 0 343.435 1.641 20 0 EDADRP CN1CCn2nc(NC(=O)Nc3ccc4c(c3)OCC[NH2+]C4)cc2C1 ZINC000868172185 596710001 /nfs/dbraw/zinc/71/00/01/596710001.db2.gz IAXOYZSAUVRTRN-UHFFFAOYSA-N 2 0 342.403 1.455 20 0 EDADRP Cc1n[nH]c(C)c1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021978 596712739 /nfs/dbraw/zinc/71/27/39/596712739.db2.gz XPLWRQCZLKSIKD-HZPDHXFCSA-N 2 0 335.496 1.157 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCn2cc(Cl)cn2)C[C@H]1C[NH+](C)C ZINC000870023057 596713232 /nfs/dbraw/zinc/71/32/32/596713232.db2.gz KBPJTEXYTKQVRT-ZIAGYGMSSA-N 2 0 341.887 1.124 20 0 EDADRP COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1C ZINC000870024244 596713961 /nfs/dbraw/zinc/71/39/61/596713961.db2.gz MGEQVISURIYLHY-IAGOWNOFSA-N 2 0 333.476 1.815 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)C[C@H]1C[NH+](C)C ZINC000870023950 596713992 /nfs/dbraw/zinc/71/39/92/596713992.db2.gz PNKRHIGOTLDJJA-HZPDHXFCSA-N 2 0 343.475 1.075 20 0 EDADRP CN(C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000868237173 596740205 /nfs/dbraw/zinc/74/02/05/596740205.db2.gz RFBGXVBVRHCSQI-YESZJQIVSA-N 2 0 342.443 1.135 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)NC[C@H]3C[C@H]([NH3+])C3)c2C1 ZINC000868304343 596778548 /nfs/dbraw/zinc/77/85/48/596778548.db2.gz HUKHVHVKHHCMQP-MQMHXKEQSA-N 2 0 330.432 1.204 20 0 EDADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCO1 ZINC000872032926 596798099 /nfs/dbraw/zinc/79/80/99/596798099.db2.gz CKGWRRNAXPQRIX-JYJNAYRXSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000872152999 596814106 /nfs/dbraw/zinc/81/41/06/596814106.db2.gz XSYMBWBKOLMTIF-HUUCEWRRSA-N 3 0 336.446 1.472 20 0 EDADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)NC[C@H]2CCCO2)C1)C1CCCC1 ZINC000872156207 596815799 /nfs/dbraw/zinc/81/57/99/596815799.db2.gz GEEDSEULDUTTHV-KBAYOESNSA-N 2 0 337.508 1.901 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@H+](C)CCCCCC[NH3+])cc1 ZINC000872155178 596816142 /nfs/dbraw/zinc/81/61/42/596816142.db2.gz FSTOZYZXMLTXHY-UHFFFAOYSA-N 2 0 327.494 1.888 20 0 EDADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000872155003 596816213 /nfs/dbraw/zinc/81/62/13/596816213.db2.gz JGKNIEVDTIVGQW-CVEARBPZSA-N 2 0 349.475 1.782 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000872215093 596839286 /nfs/dbraw/zinc/83/92/86/596839286.db2.gz PKAGSOMWYQJVOP-MSOLQXFVSA-N 2 0 336.476 1.255 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872264100 596859711 /nfs/dbraw/zinc/85/97/11/596859711.db2.gz YCXWSAULPHZNPH-HDICACEKSA-N 2 0 348.516 1.990 20 0 EDADRP CSC1(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC[NH+](C)CC1 ZINC000875597849 596911125 /nfs/dbraw/zinc/91/11/25/596911125.db2.gz NKNYHLCIQAVMEZ-UHFFFAOYSA-N 2 0 342.553 1.940 20 0 EDADRP COCC(C)(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875613894 596919190 /nfs/dbraw/zinc/91/91/90/596919190.db2.gz JACOCYXNMNZAKU-HUUCEWRRSA-N 2 0 328.501 1.040 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000874103765 596929230 /nfs/dbraw/zinc/92/92/30/596929230.db2.gz PHHJEXRIYUIVBG-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cc(Cl)no1 ZINC000874259181 596989236 /nfs/dbraw/zinc/98/92/36/596989236.db2.gz ZGVUMTMCDWQATJ-UHFFFAOYSA-N 2 0 349.822 1.665 20 0 EDADRP CN(C)C(=O)N1CCN(Cc2cc3c(s2)CC[NH2+]C3)C(C)(C)C1 ZINC000873207835 597227570 /nfs/dbraw/zinc/22/75/70/597227570.db2.gz GGPHSVSTTURGOJ-UHFFFAOYSA-N 2 0 336.505 1.972 20 0 EDADRP CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873213548 597229808 /nfs/dbraw/zinc/22/98/08/597229808.db2.gz HKLXENNWRKPTPH-CQSZACIVSA-N 2 0 347.406 1.894 20 0 EDADRP CS(=O)(=O)CC1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873293448 597249481 /nfs/dbraw/zinc/24/94/81/597249481.db2.gz MPBOQYINGKCEDE-UYSNPLJNSA-N 2 0 344.521 1.338 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000875072595 597270243 /nfs/dbraw/zinc/27/02/43/597270243.db2.gz CJBIVWQGWVNSFH-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@H](CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000876723010 597305612 /nfs/dbraw/zinc/30/56/12/597305612.db2.gz KQANQXKZVDEAMD-CGTJXYLNSA-N 2 0 333.451 1.887 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C)CC[NH+](C)C ZINC000875170966 597313005 /nfs/dbraw/zinc/31/30/05/597313005.db2.gz BKKSNRZMTYLWTO-OAHLLOKOSA-N 2 0 328.501 1.326 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000876740440 597315808 /nfs/dbraw/zinc/31/58/08/597315808.db2.gz DKILRPJPRGMDCX-DRJMZUFCSA-N 2 0 334.508 1.073 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876738922 597316020 /nfs/dbraw/zinc/31/60/20/597316020.db2.gz AMKPCIBEYVKORM-MRXNPFEDSA-N 2 0 341.459 1.173 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876752514 597321771 /nfs/dbraw/zinc/32/17/71/597321771.db2.gz RZPQAHNKARLXDE-AEFFLSMTSA-N 2 0 349.450 1.207 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876752515 597322371 /nfs/dbraw/zinc/32/23/71/597322371.db2.gz RZPQAHNKARLXDE-FUHWJXTLSA-N 2 0 349.450 1.207 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000876753524 597322678 /nfs/dbraw/zinc/32/26/78/597322678.db2.gz LTBVZTVXEOPRBD-WMZOPIPTSA-N 2 0 335.448 1.357 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](N)C[NH+](C)C)CCCC1)c1ccccc1 ZINC000876763108 597328864 /nfs/dbraw/zinc/32/88/64/597328864.db2.gz MYUKQKMJURQSBP-WBVHZDCISA-N 2 0 332.492 1.655 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)C1 ZINC000876773394 597333783 /nfs/dbraw/zinc/33/37/83/597333783.db2.gz QBWRKIQULJQUEN-IRXDYDNUSA-N 2 0 347.507 1.920 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000876776300 597336158 /nfs/dbraw/zinc/33/61/58/597336158.db2.gz HGURSUXTWHBIIU-MSOLQXFVSA-N 2 0 345.487 1.633 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829433 597353062 /nfs/dbraw/zinc/35/30/62/597353062.db2.gz HUBKHLUXTRPZBG-MRXNPFEDSA-N 2 0 345.491 1.722 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)C(F)F ZINC000876864444 597362405 /nfs/dbraw/zinc/36/24/05/597362405.db2.gz SLZXSAFMLBADDL-UWVGGRQHSA-N 2 0 325.281 1.804 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876924407 597386974 /nfs/dbraw/zinc/38/69/74/597386974.db2.gz RRKXFPNREXMXFQ-JZXOWHBKSA-N 2 0 333.863 1.998 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946358 597392275 /nfs/dbraw/zinc/39/22/75/597392275.db2.gz KCFOLWMDWDFEGO-MPGHIAIKSA-N 2 0 331.464 1.317 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875346948 597393894 /nfs/dbraw/zinc/39/38/94/597393894.db2.gz TZUORMDQUUHJCX-KKUMJFAQSA-N 2 0 326.485 1.004 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000876960876 597397261 /nfs/dbraw/zinc/39/72/61/597397261.db2.gz OJHXLMRBFVRTAT-KSZLIROESA-N 2 0 331.460 1.387 20 0 EDADRP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000876965564 597400170 /nfs/dbraw/zinc/40/01/70/597400170.db2.gz GPRXAPDZFRCYPT-HNNXBMFYSA-N 2 0 341.496 1.728 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000877133114 597439574 /nfs/dbraw/zinc/43/95/74/597439574.db2.gz XGFXUMMCXJXSKL-FUHWJXTLSA-N 2 0 339.524 1.829 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000877132455 597439651 /nfs/dbraw/zinc/43/96/51/597439651.db2.gz DYNRLYMASZWQRT-AWEZNQCLSA-N 2 0 333.423 1.048 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)C1 ZINC000877224566 597466430 /nfs/dbraw/zinc/46/64/30/597466430.db2.gz JHKXZLLFVKLRFK-HKUYNNGSSA-N 2 0 345.487 1.533 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@]2(C)C[NH2+]CCO2)(c2ccccc2)CC1 ZINC000877224783 597466939 /nfs/dbraw/zinc/46/69/39/597466939.db2.gz ONHIYPQTGCMRCG-SFHVURJKSA-N 2 0 331.460 1.145 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)c3cccc(C[NH3+])c3)C[C@H]2[NH3+])cc1 ZINC000877237875 597474031 /nfs/dbraw/zinc/47/40/31/597474031.db2.gz MWHPFFNDYTYVSP-ZWKOTPCHSA-N 2 0 325.412 1.721 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877245481 597477071 /nfs/dbraw/zinc/47/70/71/597477071.db2.gz DFIUDHTWFXHKMF-MHORFTMASA-N 2 0 330.476 1.093 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000877357074 597500163 /nfs/dbraw/zinc/50/01/63/597500163.db2.gz QXYNNYRNZQHZLI-KWCYVHTRSA-N 2 0 327.350 1.469 20 0 EDADRP COC1(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CC[NH2+]CC1 ZINC000877449817 597516953 /nfs/dbraw/zinc/51/69/53/597516953.db2.gz SQKQDIKZWCJOHZ-NVXWUHKLSA-N 2 0 337.508 1.901 20 0 EDADRP Cc1cc(C)n2c(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cnc2n1 ZINC000877669714 597546588 /nfs/dbraw/zinc/54/65/88/597546588.db2.gz WCDZWQCXTNCASC-IAGOWNOFSA-N 2 0 344.507 1.517 20 0 EDADRP Cc1ccc2nc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cn2c1 ZINC000877670088 597546600 /nfs/dbraw/zinc/54/66/00/597546600.db2.gz HGHHCDMADHNRBA-IAGOWNOFSA-N 2 0 329.492 1.814 20 0 EDADRP Cn1cc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2cccnc21 ZINC000877733970 597552026 /nfs/dbraw/zinc/55/20/26/597552026.db2.gz DFOPUZRHQVRYRK-UHFFFAOYSA-N 2 0 330.476 1.941 20 0 EDADRP CC(C)C[N@@H+](Cc1coc(S(N)(=O)=O)c1)CC1CC[NH+](C)CC1 ZINC000877767589 597554033 /nfs/dbraw/zinc/55/40/33/597554033.db2.gz OUACJSUSPYNTMG-UHFFFAOYSA-N 2 0 343.493 1.727 20 0 EDADRP CN(CC[N@H+](C)C[C@@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000878311425 597594668 /nfs/dbraw/zinc/59/46/68/597594668.db2.gz KZVNHBYQJNZKMW-SFHVURJKSA-N 2 0 339.524 1.530 20 0 EDADRP CC(C)C[N@H+](CCN1CCCS1(=O)=O)CC1CC[NH+](C)CC1 ZINC000879705059 597695709 /nfs/dbraw/zinc/69/57/09/597695709.db2.gz ZFIWOWXDGRYNHB-UHFFFAOYSA-N 2 0 331.526 1.322 20 0 EDADRP CC[C@H](CO)[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000879742808 597709484 /nfs/dbraw/zinc/70/94/84/597709484.db2.gz RFKMNZHDVCMFGC-GOSISDBHSA-N 2 0 333.476 1.470 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883415870 597739164 /nfs/dbraw/zinc/73/91/64/597739164.db2.gz HEXVPIUMXAHOGP-CVEARBPZSA-N 2 0 336.480 1.166 20 0 EDADRP CN1CCC(CNC(=O)N2CC[C@@H](CF)C2)([NH+]2CCCCC2)CC1 ZINC000883467841 597760505 /nfs/dbraw/zinc/76/05/05/597760505.db2.gz AKONFTGNNGFHRH-INIZCTEOSA-N 2 0 340.487 1.938 20 0 EDADRP C[C@H]1CCc2n[nH]cc2[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000878947405 597764186 /nfs/dbraw/zinc/76/41/86/597764186.db2.gz XIKOPHMTDPZZED-YJBOKZPZSA-N 2 0 349.523 1.808 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc([C@@H]2CCC(=O)N2)cc1 ZINC000878969212 597769451 /nfs/dbraw/zinc/76/94/51/597769451.db2.gz NVKJQLZZVPRYAC-KRWDZBQOSA-N 2 0 346.475 1.203 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cnnn3)C2)ccn1 ZINC000879020009 597788363 /nfs/dbraw/zinc/78/83/63/597788363.db2.gz YKBSKZGRGFIXRF-KRWDZBQOSA-N 2 0 345.451 1.062 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586279 597814759 /nfs/dbraw/zinc/81/47/59/597814759.db2.gz IGDUORZBMKVWCD-WMLDXEAASA-N 2 0 331.464 1.830 20 0 EDADRP COCC[N@@H+](CC(=O)NCCC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879124791 597826990 /nfs/dbraw/zinc/82/69/90/597826990.db2.gz DEIYNVXCYUAJLZ-UHFFFAOYSA-N 2 0 327.513 1.829 20 0 EDADRP COCC[N@H+](CC1CC[NH+](C)CC1)CC1(CS(C)(=O)=O)CC1 ZINC000879125637 597827133 /nfs/dbraw/zinc/82/71/33/597827133.db2.gz FIDFGTCUNLUFKY-UHFFFAOYSA-N 2 0 332.510 1.101 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000883642255 597843572 /nfs/dbraw/zinc/84/35/72/597843572.db2.gz HJBVVRVPWBZAOV-OAHLLOKOSA-N 2 0 338.496 1.049 20 0 EDADRP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@H](Cn1ccnc1)c1ccccc1 ZINC000880568034 597966761 /nfs/dbraw/zinc/96/67/61/597966761.db2.gz RWHKCHDIJLBURR-OAHLLOKOSA-N 2 0 343.431 1.838 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000884038089 597974353 /nfs/dbraw/zinc/97/43/53/597974353.db2.gz WPBBELOQISRVCY-UHFFFAOYSA-N 2 0 331.460 1.889 20 0 EDADRP O=S(=O)(CCn1ccnc1)NC[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000882500092 597978988 /nfs/dbraw/zinc/97/89/88/597978988.db2.gz MRWHYINQLMLGQV-INIZCTEOSA-N 2 0 340.493 1.600 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884196017 598023474 /nfs/dbraw/zinc/02/34/74/598023474.db2.gz FTOMPCMTRODPIM-KBPBESRZSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000884219264 598032729 /nfs/dbraw/zinc/03/27/29/598032729.db2.gz LHFIVXIKDWAPMH-MRXNPFEDSA-N 2 0 333.476 1.993 20 0 EDADRP C[C@]1(CNC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CCC[NH2+]C1 ZINC000884248307 598042383 /nfs/dbraw/zinc/04/23/83/598042383.db2.gz OKBGLQDWBRPWDX-HIFRSBDPSA-N 2 0 340.265 1.955 20 0 EDADRP C[C@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000884261578 598046186 /nfs/dbraw/zinc/04/61/86/598046186.db2.gz OWZZFJOBTKOMKN-HOTGVXAUSA-N 2 0 343.475 1.952 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000884328296 598069417 /nfs/dbraw/zinc/06/94/17/598069417.db2.gz NMJRVYGCRNQMEC-DOTOQJQBSA-N 2 0 331.460 1.841 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Br)cc1 ZINC000884360240 598080524 /nfs/dbraw/zinc/08/05/24/598080524.db2.gz XJPMSQMOBABBRX-LALPHHSUSA-N 2 0 340.265 1.865 20 0 EDADRP CC(C)([NH3+])CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000884507731 598124461 /nfs/dbraw/zinc/12/44/61/598124461.db2.gz LBXYVHLQHWPBMN-HNNXBMFYSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000914190501 695266526 /nfs/dbraw/zinc/26/65/26/695266526.db2.gz SUVWCWBGJOEVPN-RKVPGOIHSA-N 2 0 330.476 1.825 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000914219912 695284368 /nfs/dbraw/zinc/28/43/68/695284368.db2.gz DXGPMRWHXPFHRN-YESZJQIVSA-N 2 0 336.480 1.166 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnon4)[C@@H]3C2)CC1 ZINC000992796509 695346301 /nfs/dbraw/zinc/34/63/01/695346301.db2.gz BMMABZFFZRRCHH-USXIJHARSA-N 2 0 347.463 1.128 20 0 EDADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000914314236 695351633 /nfs/dbraw/zinc/35/16/33/695351633.db2.gz PSFLKSVVBQFGID-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)CC1 ZINC000992848139 695406517 /nfs/dbraw/zinc/40/65/17/695406517.db2.gz HLLQZDQHFFLUCV-OKZBNKHCSA-N 2 0 337.508 1.316 20 0 EDADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000923596833 695694676 /nfs/dbraw/zinc/69/46/76/695694676.db2.gz JVKZUGANNQYCSC-QGZVFWFLSA-N 2 0 343.537 1.656 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001031188507 695707092 /nfs/dbraw/zinc/70/70/92/695707092.db2.gz PKYAPUYPXWOCHD-VQIMIIECSA-N 2 0 335.492 1.334 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000915320294 695791577 /nfs/dbraw/zinc/79/15/77/695791577.db2.gz QOBUEYCPLILIEU-OAHLLOKOSA-N 2 0 333.480 1.900 20 0 EDADRP CN(C)c1ccccc1CN1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001031252613 696014304 /nfs/dbraw/zinc/01/43/04/696014304.db2.gz KBKQQOZNIUIVMP-OAHLLOKOSA-N 2 0 330.476 1.395 20 0 EDADRP COc1ccnc(CN2CC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)c1 ZINC001031253753 696021912 /nfs/dbraw/zinc/02/19/12/696021912.db2.gz KEYMTZFWBLIYAI-YOEHRIQHSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)Cc2cncn2C)CCC[N@@H+]1CCC1CCOCC1 ZINC000994233073 696593156 /nfs/dbraw/zinc/59/31/56/696593156.db2.gz RECTWJCRYLWZTK-QAPCUYQASA-N 2 0 348.491 1.748 20 0 EDADRP Cc1nc(C)c(CN2CC[C@@H](NC(=O)C[N@H+]3CC[C@H](C)C3)C2)s1 ZINC001015708307 696625160 /nfs/dbraw/zinc/62/51/60/696625160.db2.gz DKTQEJDDSDYMRY-SWLSCSKDSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008693 700110690 /nfs/dbraw/zinc/11/06/90/700110690.db2.gz YJRCLYGFVPWYET-INIZCTEOSA-N 2 0 333.480 1.293 20 0 EDADRP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008620 700110294 /nfs/dbraw/zinc/11/02/94/700110294.db2.gz WAVPGYFZSMBPJC-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994467474 696904035 /nfs/dbraw/zinc/90/40/35/696904035.db2.gz VMIPJHFCAYZXRD-MAUKXSAKSA-N 2 0 333.476 1.977 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1cccnc1 ZINC000917570170 697040350 /nfs/dbraw/zinc/04/03/50/697040350.db2.gz GQIVFYYMLLLFJC-RDJZCZTQSA-N 2 0 333.480 1.715 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H](C)[NH+]2CCCCC2)C1 ZINC000918122215 697134088 /nfs/dbraw/zinc/13/40/88/697134088.db2.gz SUBPTGJYTJZWQS-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP CN1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001031596271 697296801 /nfs/dbraw/zinc/29/68/01/697296801.db2.gz JJRWAAZHIUENHJ-SFHVURJKSA-N 2 0 342.443 1.047 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C)C[C@H]2CC(C)C)C1 ZINC000919634507 697307745 /nfs/dbraw/zinc/30/77/45/697307745.db2.gz JNHWEQKTMUAPTE-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000920506704 697440870 /nfs/dbraw/zinc/44/08/70/697440870.db2.gz KROSJRDOFORVEW-JKSUJKDBSA-N 2 0 340.537 1.740 20 0 EDADRP Cc1cnc([C@H](C)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001031681321 697504551 /nfs/dbraw/zinc/50/45/51/697504551.db2.gz MTQHKTGOTLYKIX-IJEWVQPXSA-N 2 0 331.464 1.234 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001031682740 697506798 /nfs/dbraw/zinc/50/67/98/697506798.db2.gz UPZRZHDAQLLHGT-RDTXWAMCSA-N 2 0 331.460 1.583 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000921435227 697611420 /nfs/dbraw/zinc/61/14/20/697611420.db2.gz XARNFLNBHUZCQA-OEAJRASXSA-N 2 0 338.521 1.348 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cc(C)ns2)C1 ZINC001031713816 697735866 /nfs/dbraw/zinc/73/58/66/697735866.db2.gz GBNUEEXSUOXZPR-MRXNPFEDSA-N 2 0 336.505 1.874 20 0 EDADRP O=C(NCC1C[NH+](CCn2cccn2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730134 698066002 /nfs/dbraw/zinc/06/60/02/698066002.db2.gz FIPIDXVMKRITHJ-SFHVURJKSA-N 2 0 345.491 1.338 20 0 EDADRP CCC[NH+]1CCC2(CCN(C(=O)c3cnn(CC[NH+](C)C)c3)C2)CC1 ZINC001040883555 698546504 /nfs/dbraw/zinc/54/65/04/698546504.db2.gz XJZAIDRASNCJLT-UHFFFAOYSA-N 2 0 347.507 1.783 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000940120987 700254123 /nfs/dbraw/zinc/25/41/23/700254123.db2.gz WTTHSBHZTMLOOQ-TZMCWYRMSA-N 2 0 335.452 1.189 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1)C12CCC[NH+](CCC1)C2 ZINC001031764684 699049653 /nfs/dbraw/zinc/04/96/53/699049653.db2.gz KCIFIYGDKJQRIY-YLJYHZDGSA-N 2 0 347.503 1.337 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)CCO1 ZINC001031764736 699049657 /nfs/dbraw/zinc/04/96/57/699049657.db2.gz MIWKPIGXJOZYPJ-SJORKVTESA-N 2 0 349.519 1.726 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939054737 699115344 /nfs/dbraw/zinc/11/53/44/699115344.db2.gz OCIRHHFHTANSKM-SUMWQHHRSA-N 2 0 334.439 1.499 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055113 699115548 /nfs/dbraw/zinc/11/55/48/699115548.db2.gz UJTZBCHINWFQHX-UGSOOPFHSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939127034 699204543 /nfs/dbraw/zinc/20/45/43/699204543.db2.gz AXYOWXVRMQYCNK-SUMWQHHRSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939133302 699217875 /nfs/dbraw/zinc/21/78/75/699217875.db2.gz QRCSEFRWTGKDHS-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939136873 699223401 /nfs/dbraw/zinc/22/34/01/699223401.db2.gz CPIVSBITQCPKJT-WBVHZDCISA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941566494 701585257 /nfs/dbraw/zinc/58/52/57/701585257.db2.gz FBWUJDJMTRCROV-SJORKVTESA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939256907 699433988 /nfs/dbraw/zinc/43/39/88/699433988.db2.gz GLEGUWAVVXAZGI-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939259928 699438001 /nfs/dbraw/zinc/43/80/01/699438001.db2.gz XLUBPSRQBMYNJX-YJBOKZPZSA-N 2 0 347.507 1.131 20 0 EDADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941604367 701593681 /nfs/dbraw/zinc/59/36/81/701593681.db2.gz XQIAFVKPDKASSQ-PKOBYXMFSA-N 2 0 346.519 1.242 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1)c1ccn2c[nH+]cc2c1 ZINC001031817495 699532165 /nfs/dbraw/zinc/53/21/65/699532165.db2.gz IVJBPDMHMHTJNR-LPHOPBHVSA-N 2 0 340.427 1.423 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939395240 699545248 /nfs/dbraw/zinc/54/52/48/699545248.db2.gz FSCKIEISJYGLFQ-DLBZAZTESA-N 2 0 347.507 1.571 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939398916 699548312 /nfs/dbraw/zinc/54/83/12/699548312.db2.gz SUBJOVKPWMXICQ-GJZGRUSLSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939550336 699699194 /nfs/dbraw/zinc/69/91/94/699699194.db2.gz IQZOFCQCOBFVOY-IUODEOHRSA-N 2 0 343.431 1.694 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677361 701615929 /nfs/dbraw/zinc/61/59/29/701615929.db2.gz NHGXHZXKEYOCAY-CALCHBBNSA-N 2 0 336.524 1.344 20 0 EDADRP CC(C)CC[NH+]1CC(CNC(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001031839926 699815411 /nfs/dbraw/zinc/81/54/11/699815411.db2.gz VHNANNUXNDRWPP-UHFFFAOYSA-N 2 0 327.432 1.975 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC000939748548 699895493 /nfs/dbraw/zinc/89/54/93/699895493.db2.gz QJTKPVVZEZHCEZ-UKRRQHHQSA-N 2 0 330.436 1.045 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939753068 699902507 /nfs/dbraw/zinc/90/25/07/699902507.db2.gz DFUABVQTWYKTHH-MAUKXSAKSA-N 2 0 345.491 1.252 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)sn1 ZINC000939753538 699903185 /nfs/dbraw/zinc/90/31/85/699903185.db2.gz GONUKFLYULHZPP-GXTWGEPZSA-N 2 0 338.477 1.184 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939754121 699904266 /nfs/dbraw/zinc/90/42/66/699904266.db2.gz LCNIENWITFBOSJ-ZFWWWQNUSA-N 2 0 336.867 1.767 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)C3CC[NH+](CC4CC4)CC3)C2)O1 ZINC001032118776 701623171 /nfs/dbraw/zinc/62/31/71/701623171.db2.gz UDOLHPGRYWYLDO-HNAYVOBHSA-N 2 0 349.519 1.724 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCc1cnn(C)c1 ZINC000939810576 699958841 /nfs/dbraw/zinc/95/88/41/699958841.db2.gz NZAMXBXBGDXCPC-SJLPKXTDSA-N 2 0 347.507 1.275 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCc3ncnn32)CC1)[NH+](C)C ZINC000940176768 700309203 /nfs/dbraw/zinc/30/92/03/700309203.db2.gz OKMSNNVSIYJXKK-LSDHHAIUSA-N 2 0 348.495 1.076 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995057001 700412239 /nfs/dbraw/zinc/41/22/39/700412239.db2.gz TVRJUEFNMWZHJB-HOTGVXAUSA-N 2 0 347.507 1.669 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995054504 700416911 /nfs/dbraw/zinc/41/69/11/700416911.db2.gz MCCQDIXDIGZVJW-HZPDHXFCSA-N 2 0 347.507 1.669 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)CC1 ZINC000940296827 700469196 /nfs/dbraw/zinc/46/91/96/700469196.db2.gz YPYJMGKKPSLSKE-UHFFFAOYSA-N 2 0 337.493 1.351 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)c(=O)c2)CC1)[NH+](C)C ZINC000940334458 700514558 /nfs/dbraw/zinc/51/45/58/700514558.db2.gz LFZQZIABKXTSLR-INIZCTEOSA-N 2 0 348.491 1.196 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426052 700619647 /nfs/dbraw/zinc/61/96/47/700619647.db2.gz DJHPGIACRBKLRO-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000940426477 700620058 /nfs/dbraw/zinc/62/00/58/700620058.db2.gz SBQRLSHAEYXLRU-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)C1 ZINC000940426492 700620686 /nfs/dbraw/zinc/62/06/86/700620686.db2.gz SSRRCBPJWOLGKR-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000940427899 700621890 /nfs/dbraw/zinc/62/18/90/700621890.db2.gz QYVYDJWIYIWOGE-UHFFFAOYSA-N 2 0 349.504 1.413 20 0 EDADRP Cc1ccnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995076149 700646134 /nfs/dbraw/zinc/64/61/34/700646134.db2.gz CEVOSVJVJNRVED-DOTOQJQBSA-N 2 0 345.491 1.501 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000940457549 700661069 /nfs/dbraw/zinc/66/10/69/700661069.db2.gz KGEPATXVSLKDCT-OAHLLOKOSA-N 2 0 346.475 1.974 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)Cn3ccnc3)CC2)o1 ZINC000940482580 700670356 /nfs/dbraw/zinc/67/03/56/700670356.db2.gz GDVYCMPARRRFJU-UHFFFAOYSA-N 2 0 331.420 1.604 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168580 701664396 /nfs/dbraw/zinc/66/43/96/701664396.db2.gz OXCYMXAXXOLZIL-WBVHZDCISA-N 2 0 345.491 1.199 20 0 EDADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)ncn1 ZINC000940625864 700787822 /nfs/dbraw/zinc/78/78/22/700787822.db2.gz VZJZMOLCHIDVRN-IAGOWNOFSA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940798527 700916284 /nfs/dbraw/zinc/91/62/84/700916284.db2.gz IBPHQUIMGUFXBX-HZPDHXFCSA-N 2 0 325.497 1.173 20 0 EDADRP O=C(Cc1c[nH]cn1)N[C@H]1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995106423 700932815 /nfs/dbraw/zinc/93/28/15/700932815.db2.gz KFJCJYNFICINLX-KBPBESRZSA-N 2 0 342.447 1.170 20 0 EDADRP O=C(Cc1c[nH]cn1)N[C@@H]1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995106425 700932889 /nfs/dbraw/zinc/93/28/89/700932889.db2.gz KFJCJYNFICINLX-UONOGXRCSA-N 2 0 342.447 1.170 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940842827 700938905 /nfs/dbraw/zinc/93/89/05/700938905.db2.gz QAZGMOTWXODAHN-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940863900 700946198 /nfs/dbraw/zinc/94/61/98/700946198.db2.gz HKWZXPUJSLVDNC-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940993960 701029656 /nfs/dbraw/zinc/02/96/56/701029656.db2.gz PSCPDCWFWJMAML-GDBMZVCRSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000940991970 701044526 /nfs/dbraw/zinc/04/45/26/701044526.db2.gz UPHHHHFQQGBMIB-OAHLLOKOSA-N 2 0 337.464 1.554 20 0 EDADRP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003771 701047237 /nfs/dbraw/zinc/04/72/37/701047237.db2.gz ZIEZLHZGBHFDMK-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC000995170770 701686302 /nfs/dbraw/zinc/68/63/02/701686302.db2.gz YPWBHMNHXJVGOY-JKSUJKDBSA-N 2 0 343.475 1.255 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078684 701140352 /nfs/dbraw/zinc/14/03/52/701140352.db2.gz ISZDQAYGXKZLLK-DOTOQJQBSA-N 2 0 339.524 1.970 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941163731 701228544 /nfs/dbraw/zinc/22/85/44/701228544.db2.gz PJOQDOFMRCYTIF-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2ccccn2)C1 ZINC000999168199 706595782 /nfs/dbraw/zinc/59/57/82/706595782.db2.gz FSVDCYVBWNEHIH-QZTJIDSGSA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001031932264 701384876 /nfs/dbraw/zinc/38/48/76/701384876.db2.gz ZXAUXNDZTRJVSU-LPHOPBHVSA-N 2 0 347.459 1.429 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236899 701427518 /nfs/dbraw/zinc/42/75/18/701427518.db2.gz CNVZHJFUZMMEMH-CRAIPNDOSA-N 2 0 347.503 1.959 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995137641 701450395 /nfs/dbraw/zinc/45/03/95/701450395.db2.gz YVMAJCPKXRBVIX-SJORKVTESA-N 2 0 345.491 1.583 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408794 701521464 /nfs/dbraw/zinc/52/14/64/701521464.db2.gz UTMGMHJVJAFTCR-IBGZPJMESA-N 2 0 348.535 1.203 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129002 701804895 /nfs/dbraw/zinc/80/48/95/701804895.db2.gz OILDVXDKJUAEHG-AEFFLSMTSA-N 2 0 347.507 1.131 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001032129180 701812930 /nfs/dbraw/zinc/81/29/30/701812930.db2.gz RSKHOTTZLWXCGE-ZWKOTPCHSA-N 2 0 337.508 1.581 20 0 EDADRP CN(C)c1cccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032130649 701845600 /nfs/dbraw/zinc/84/56/00/701845600.db2.gz XKLHYOOEQUPDID-UHFFFAOYSA-N 2 0 342.487 1.396 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)CCO1 ZINC001032133893 701888706 /nfs/dbraw/zinc/88/87/06/701888706.db2.gz NAIHEACMDWBWDP-CABCVRRESA-N 2 0 346.475 1.624 20 0 EDADRP Cc1ccc(CN2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1F ZINC001031976464 701962153 /nfs/dbraw/zinc/96/21/53/701962153.db2.gz MMANZFOGDVCLAZ-RHSMWYFYSA-N 2 0 333.451 1.880 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1C ZINC001031976535 701966762 /nfs/dbraw/zinc/96/67/62/701966762.db2.gz OAXBSIFLSQXPMU-KDOFPFPSSA-N 2 0 345.487 1.749 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999190391 706632949 /nfs/dbraw/zinc/63/29/49/706632949.db2.gz QRDJTILMPQHSGO-HYVNUMGLSA-N 2 0 346.475 1.511 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031978330 702080049 /nfs/dbraw/zinc/08/00/49/702080049.db2.gz RWPSGWVKTHLJLX-DNVCBOLYSA-N 2 0 345.487 1.579 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cnns1 ZINC000995824226 702095225 /nfs/dbraw/zinc/09/52/25/702095225.db2.gz NQOJQKGOMQXFLI-HUUCEWRRSA-N 2 0 349.504 1.207 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995825564 702097356 /nfs/dbraw/zinc/09/73/56/702097356.db2.gz ODTOJYPBAWJILJ-BMFZPTHFSA-N 2 0 333.480 1.087 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](NCc3cscn3)C2)CC[N@@H+]1C ZINC000999199919 706643680 /nfs/dbraw/zinc/64/36/80/706643680.db2.gz IKIZAUYDMCTNMA-VNQPRFMTSA-N 2 0 336.505 1.954 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccnc3C)C2)CC[N@@H+]1C ZINC000999200688 706644893 /nfs/dbraw/zinc/64/48/93/706644893.db2.gz OIFSKICVHFUZHO-XYJFISCASA-N 2 0 345.491 1.596 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H](NCc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869658 702168340 /nfs/dbraw/zinc/16/83/40/702168340.db2.gz HECMXVXWZWAREA-GJZGRUSLSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895637 702199076 /nfs/dbraw/zinc/19/90/76/702199076.db2.gz LWSLJDUIULBUSL-SJORKVTESA-N 2 0 345.491 1.452 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995895985 702200290 /nfs/dbraw/zinc/20/02/90/702200290.db2.gz NGIMINSQHWDGQW-HNNXBMFYSA-N 2 0 347.507 1.714 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899637 702205624 /nfs/dbraw/zinc/20/56/24/702205624.db2.gz XAERYAWAJYPXRV-HZPDHXFCSA-N 2 0 334.464 1.650 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995914070 702273292 /nfs/dbraw/zinc/27/32/92/702273292.db2.gz KNAWRNIXCMASNE-CVEARBPZSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)sn1 ZINC000944168256 702407902 /nfs/dbraw/zinc/40/79/02/702407902.db2.gz IGLVXTSHFQNWJO-CJNGLKHVSA-N 2 0 348.516 1.874 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC)C(C)(C)C1 ZINC000996089473 702498969 /nfs/dbraw/zinc/49/89/69/702498969.db2.gz IUXPVLRQQUGAPC-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058122 702508916 /nfs/dbraw/zinc/50/89/16/702508916.db2.gz UBHWTYBDRNKRST-NVXWUHKLSA-N 2 0 347.507 1.685 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2sccc2C[NH+](C)C)[C@@H](C)C1 ZINC000942098989 702593831 /nfs/dbraw/zinc/59/38/31/702593831.db2.gz FGITYBUEGXGPSU-DZGCQCFKSA-N 2 0 339.505 1.896 20 0 EDADRP CCn1nc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995205789 702629462 /nfs/dbraw/zinc/62/94/62/702629462.db2.gz CIMOKVKOQFMSKU-HZPDHXFCSA-N 2 0 348.495 1.077 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208123 702670068 /nfs/dbraw/zinc/67/00/68/702670068.db2.gz GNKATAMIIPHTKD-CABCVRRESA-N 2 0 336.505 1.922 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208653 702678816 /nfs/dbraw/zinc/67/88/16/702678816.db2.gz IBXSJYYGGSSFOQ-HOTGVXAUSA-N 2 0 348.495 1.077 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996299740 702690658 /nfs/dbraw/zinc/69/06/58/702690658.db2.gz DLPQPAJBTGACGR-DZGCQCFKSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)nn1C ZINC000996299690 702690718 /nfs/dbraw/zinc/69/07/18/702690718.db2.gz CGBUYQDKVPUYTF-PBHICJAKSA-N 2 0 347.507 1.397 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)C1 ZINC000996311180 702700396 /nfs/dbraw/zinc/70/03/96/702700396.db2.gz QHSYZGPVSPOIGL-HOTGVXAUSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)C(C)(C)C1)[NH+](C)C ZINC000996313506 702701940 /nfs/dbraw/zinc/70/19/40/702701940.db2.gz DNCUKIDWSJTOBS-JKSUJKDBSA-N 2 0 348.491 1.757 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1)[NH+](C)C ZINC000996315057 702703292 /nfs/dbraw/zinc/70/32/92/702703292.db2.gz LXTPXFCQBHXOMM-IRXDYDNUSA-N 2 0 349.523 1.612 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942260243 702769815 /nfs/dbraw/zinc/76/98/15/702769815.db2.gz XXTXUALOYNBGBH-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1csnn1 ZINC000996562754 702876774 /nfs/dbraw/zinc/87/67/74/702876774.db2.gz WTLBWFBJGLWEBI-WFASDCNBSA-N 2 0 349.504 1.522 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996608680 702911944 /nfs/dbraw/zinc/91/19/44/702911944.db2.gz SWXFJETWJMMVHA-SQWLQELKSA-N 2 0 334.464 1.965 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996614390 702919771 /nfs/dbraw/zinc/91/97/71/702919771.db2.gz NAQHNWWQXIGAQI-GOEBONIOSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)CC[N@@H+]1C ZINC000996609886 702920745 /nfs/dbraw/zinc/92/07/45/702920745.db2.gz XCNVFCIXEIQJTF-DNVCBOLYSA-N 2 0 345.487 1.600 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000996667735 702964806 /nfs/dbraw/zinc/96/48/06/702964806.db2.gz XPHPLMPMWQNNNF-OAHLLOKOSA-N 2 0 349.479 1.437 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996674129 702969419 /nfs/dbraw/zinc/96/94/19/702969419.db2.gz ZYKKDPDDFLKNLK-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCOCC1 ZINC001032315892 702981384 /nfs/dbraw/zinc/98/13/84/702981384.db2.gz ZWMWXUVYLJHODA-BZSNNMDCSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996686959 702984348 /nfs/dbraw/zinc/98/43/48/702984348.db2.gz DQNMDKFAOGTMFN-INIZCTEOSA-N 2 0 331.464 1.432 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC000996713835 703006253 /nfs/dbraw/zinc/00/62/53/703006253.db2.gz XUYILHOGDBYTCJ-JKSUJKDBSA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]CCn2nc(C)cc2C)CC1)[NH+](C)C ZINC000996711649 703006377 /nfs/dbraw/zinc/00/63/77/703006377.db2.gz KDHMQSYLQLOSQC-QGZVFWFLSA-N 2 0 335.496 1.421 20 0 EDADRP Cc1cncn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2C)C[C@H]1C ZINC000942518349 703013032 /nfs/dbraw/zinc/01/30/32/703013032.db2.gz QOIAFCWPJGGGBG-KDOFPFPSSA-N 2 0 341.459 1.922 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000996730409 703027144 /nfs/dbraw/zinc/02/71/44/703027144.db2.gz SFUQGLHSRPMHLP-QGZVFWFLSA-N 2 0 334.439 1.786 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996730984 703027846 /nfs/dbraw/zinc/02/78/46/703027846.db2.gz WATOABDKRVZCGA-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1 ZINC000996765930 703057092 /nfs/dbraw/zinc/05/70/92/703057092.db2.gz WXQBWSYAMYAGAE-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cn1 ZINC000996867435 703140312 /nfs/dbraw/zinc/14/03/12/703140312.db2.gz IARNFDINMGVWBE-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996858106 703141747 /nfs/dbraw/zinc/14/17/47/703141747.db2.gz NSOMRCYAKDGOPE-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996857375 703141773 /nfs/dbraw/zinc/14/17/73/703141773.db2.gz NIWIYOZXWBUOGX-GOSISDBHSA-N 2 0 345.491 1.338 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042373 703198673 /nfs/dbraw/zinc/19/86/73/703198673.db2.gz BKPPQRDTPAQAGO-WMZOPIPTSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000996947936 703217454 /nfs/dbraw/zinc/21/74/54/703217454.db2.gz YSXHLFXIMBTCAE-UHFFFAOYSA-N 2 0 348.495 1.351 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1ncccn1 ZINC000997000277 703257177 /nfs/dbraw/zinc/25/71/77/703257177.db2.gz OQIMBBPWXBTHJW-LSDHHAIUSA-N 2 0 331.464 1.603 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)s1 ZINC000997006183 703263612 /nfs/dbraw/zinc/26/36/12/703263612.db2.gz FFZCENCLJIVFJS-RISCZKNCSA-N 2 0 337.493 1.125 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000997007330 703264798 /nfs/dbraw/zinc/26/47/98/703264798.db2.gz QFVURUGREIWKEF-AWEZNQCLSA-N 2 0 334.464 1.659 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008511 703266459 /nfs/dbraw/zinc/26/64/59/703266459.db2.gz MXOZRZGREDDAJR-RDTXWAMCSA-N 2 0 345.491 1.108 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997009220 703269647 /nfs/dbraw/zinc/26/96/47/703269647.db2.gz YUOIMYPCVFTNTA-AWEZNQCLSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)sn1 ZINC000997012728 703272490 /nfs/dbraw/zinc/27/24/90/703272490.db2.gz YFKLZSVSIDAOPU-WBMJQRKESA-N 2 0 336.505 1.730 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997060174 703305465 /nfs/dbraw/zinc/30/54/65/703305465.db2.gz FWXPJZSLXHDMMU-INIZCTEOSA-N 2 0 335.452 1.413 20 0 EDADRP C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCF)CC1 ZINC000997085312 703330981 /nfs/dbraw/zinc/33/09/81/703330981.db2.gz NGENEFFUMRGSDL-PBHICJAKSA-N 2 0 325.472 1.905 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)cc1 ZINC001032054837 703424574 /nfs/dbraw/zinc/42/45/74/703424574.db2.gz FSUXWTHIQYGFDU-QGZVFWFLSA-N 2 0 345.487 1.836 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000997184133 703466556 /nfs/dbraw/zinc/46/65/56/703466556.db2.gz MTRCHDURBGIQLW-RDJZCZTQSA-N 2 0 345.491 1.678 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185859 703475122 /nfs/dbraw/zinc/47/51/22/703475122.db2.gz SXTJGNMCBZJSJF-KGLIPLIRSA-N 2 0 348.495 1.351 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)cn1 ZINC000997187186 703476719 /nfs/dbraw/zinc/47/67/19/703476719.db2.gz XBMOJPOFUHOUCD-AEFFLSMTSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1c(C(=O)N[C@H](C)C2CC[NH+](CCO)CC2)ccc2c[nH+]cn21 ZINC000997187585 703477302 /nfs/dbraw/zinc/47/73/02/703477302.db2.gz RMLNOAIUPKNLIP-CYBMUJFWSA-N 2 0 330.432 1.465 20 0 EDADRP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228347 703504025 /nfs/dbraw/zinc/50/40/25/703504025.db2.gz GMFDNJUNQCTWMT-RXHUYCNISA-N 2 0 335.492 1.476 20 0 EDADRP Cn1c(Cl)cnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997300892 703544492 /nfs/dbraw/zinc/54/44/92/703544492.db2.gz YYWXMACRDRWBIG-GFCCVEGCSA-N 2 0 339.871 1.106 20 0 EDADRP Cn1cc(Cl)c(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997297925 703556128 /nfs/dbraw/zinc/55/61/28/703556128.db2.gz HJUUTHJESUTUDO-LBPRGKRZSA-N 2 0 339.871 1.106 20 0 EDADRP CCc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cs1 ZINC000997307056 703565566 /nfs/dbraw/zinc/56/55/66/703565566.db2.gz MRSNSDMLTSWIJF-UHFFFAOYSA-N 2 0 336.505 1.882 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997307543 703565817 /nfs/dbraw/zinc/56/58/17/703565817.db2.gz UMSCQKFUTRGRRK-UHFFFAOYSA-N 2 0 332.448 1.728 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ccc3nonc3c2)CC1 ZINC000997307888 703566009 /nfs/dbraw/zinc/56/60/09/703566009.db2.gz XQIQZANCRDUECP-UHFFFAOYSA-N 2 0 343.431 1.399 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cc1 ZINC000997308046 703566383 /nfs/dbraw/zinc/56/63/83/703566383.db2.gz YTOGTZZCNLUKDP-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)on1 ZINC000997361981 703596016 /nfs/dbraw/zinc/59/60/16/703596016.db2.gz ZBSMLACUEHDMED-GJZGRUSLSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)no1 ZINC000997361099 703598478 /nfs/dbraw/zinc/59/84/78/703598478.db2.gz SLEHCESDAOTDCW-KBPBESRZSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997361432 703598819 /nfs/dbraw/zinc/59/88/19/703598819.db2.gz VCRZEBVWDLTWEE-GASCZTMLSA-N 2 0 347.507 1.682 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997366244 703600149 /nfs/dbraw/zinc/60/01/49/703600149.db2.gz ZMNOSGFJFXVCIH-UHFFFAOYSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)o1 ZINC000997367033 703601299 /nfs/dbraw/zinc/60/12/99/703601299.db2.gz HUMSSHFDCFGRKW-AWEZNQCLSA-N 2 0 349.479 1.896 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCC1 ZINC001032444332 703621438 /nfs/dbraw/zinc/62/14/38/703621438.db2.gz VLNVIPZFQGXRKW-FHWLQOOXSA-N 2 0 347.503 1.715 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)CC1 ZINC000997372079 703663410 /nfs/dbraw/zinc/66/34/10/703663410.db2.gz FUMNCQMHWOSCFP-MRXNPFEDSA-N 2 0 339.524 1.706 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncs2)CC1 ZINC000997419532 703669919 /nfs/dbraw/zinc/66/99/19/703669919.db2.gz AKNFNRAKBWXOSK-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032493545 703779023 /nfs/dbraw/zinc/77/90/23/703779023.db2.gz YJWWYJDYJUECGL-FHWLQOOXSA-N 2 0 349.519 1.819 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999274322 706766400 /nfs/dbraw/zinc/76/64/00/706766400.db2.gz NQSFACQNTYEQDL-OCCSQVGLSA-N 2 0 325.478 1.385 20 0 EDADRP COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000997608769 703907844 /nfs/dbraw/zinc/90/78/44/703907844.db2.gz WSCIQQAOAOUREP-SFHVURJKSA-N 2 0 346.475 1.513 20 0 EDADRP COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000997608763 703907923 /nfs/dbraw/zinc/90/79/23/703907923.db2.gz WSCIQQAOAOUREP-GOSISDBHSA-N 2 0 346.475 1.513 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)on1 ZINC000995555180 703974317 /nfs/dbraw/zinc/97/43/17/703974317.db2.gz YOOKPFRIRWYQQN-KGLIPLIRSA-N 2 0 336.436 1.104 20 0 EDADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598069 704310749 /nfs/dbraw/zinc/31/07/49/704310749.db2.gz WQEWUNFTJSFESG-XMTFNYHQSA-N 2 0 335.492 1.428 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999310374 706813303 /nfs/dbraw/zinc/81/33/03/706813303.db2.gz XXQULHNBDNEDHB-MSOLQXFVSA-N 2 0 347.507 1.418 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997726813 704616640 /nfs/dbraw/zinc/61/66/40/704616640.db2.gz VPQXTQJRHIYOQQ-RDJZCZTQSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)CC[N@@H+]1C ZINC000997784132 704687987 /nfs/dbraw/zinc/68/79/87/704687987.db2.gz BQLQVAADKBNQDB-RDTXWAMCSA-N 2 0 348.466 1.889 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804394 704716325 /nfs/dbraw/zinc/71/63/25/704716325.db2.gz RFMMPICOXUVYEN-RTBURBONSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)CCC1 ZINC000997824047 704743477 /nfs/dbraw/zinc/74/34/77/704743477.db2.gz PPMZPKGIJJPXSH-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000997829734 704748503 /nfs/dbraw/zinc/74/85/03/704748503.db2.gz BTGQNWWWRLIZBC-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831047 704751392 /nfs/dbraw/zinc/75/13/92/704751392.db2.gz PDGKOKRYWVILJO-SFHVURJKSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000997844589 704760004 /nfs/dbraw/zinc/76/00/04/704760004.db2.gz QLCDDNXXVFUKER-INIZCTEOSA-N 2 0 337.468 1.292 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1)[NH+](C)C ZINC000997845276 704761267 /nfs/dbraw/zinc/76/12/67/704761267.db2.gz VQZHKPLTFBBAMX-KRWDZBQOSA-N 2 0 335.496 1.335 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nccc(C)n2)CC1)[NH+](C)C ZINC000997855793 704764611 /nfs/dbraw/zinc/76/46/11/704764611.db2.gz PTEVARMMTZNPFR-MRXNPFEDSA-N 2 0 333.480 1.453 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997863671 704771085 /nfs/dbraw/zinc/77/10/85/704771085.db2.gz CZWLFZVDVUPMSN-HNNXBMFYSA-N 2 0 335.452 1.191 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997914408 704972691 /nfs/dbraw/zinc/97/26/91/704972691.db2.gz FOVODNJYSPVVRP-UHFFFAOYSA-N 2 0 339.399 1.964 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000945094959 705066736 /nfs/dbraw/zinc/06/67/36/705066736.db2.gz ZCHRSONJCMBIJX-YJBOKZPZSA-N 2 0 333.476 1.571 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998029772 705213097 /nfs/dbraw/zinc/21/30/97/705213097.db2.gz BBBXQVRYIWUDJX-UHFFFAOYSA-N 2 0 347.507 1.573 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)CC1 ZINC000998032889 705218816 /nfs/dbraw/zinc/21/88/16/705218816.db2.gz UNLXNQHEZKWXFT-UHFFFAOYSA-N 2 0 337.493 1.208 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998066932 705279687 /nfs/dbraw/zinc/27/96/87/705279687.db2.gz RENGQJBGPWUIDC-AGYKMIKPSA-N 2 0 349.519 1.961 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076722 705296849 /nfs/dbraw/zinc/29/68/49/705296849.db2.gz CRZIHWLNVPBBPO-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC000998080843 705300552 /nfs/dbraw/zinc/30/05/52/705300552.db2.gz DRVFPKDNQQWYGY-KGLIPLIRSA-N 2 0 348.495 1.344 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000998081220 705301214 /nfs/dbraw/zinc/30/12/14/705301214.db2.gz HCOFPFQEHXMRPX-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000998080190 705304803 /nfs/dbraw/zinc/30/48/03/705304803.db2.gz YKXSDUKGEZXCMX-RDTXWAMCSA-N 2 0 345.491 1.311 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)on1 ZINC000998082433 705309526 /nfs/dbraw/zinc/30/95/26/705309526.db2.gz OZXCNCIHAFCTQI-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nccnc2C)CC1)[NH+](C)C ZINC000998087545 705320312 /nfs/dbraw/zinc/32/03/12/705320312.db2.gz YDKSKZRPPIXDDZ-KRWDZBQOSA-N 2 0 333.480 1.453 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1ncccn1 ZINC000998221647 705547389 /nfs/dbraw/zinc/54/73/89/705547389.db2.gz FGYZIFJXGIIECC-HNNXBMFYSA-N 2 0 343.475 1.462 20 0 EDADRP CCOC1CC(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000998266024 705638050 /nfs/dbraw/zinc/63/80/50/705638050.db2.gz OODZXLODWXANNP-ADKAHSJRSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998286109 705680329 /nfs/dbraw/zinc/68/03/29/705680329.db2.gz FSSJTRYXXHLGIQ-IYBDPMFKSA-N 2 0 347.507 1.621 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](OC)C1CCCC1)[NH+](C)C ZINC001032634251 705880789 /nfs/dbraw/zinc/88/07/89/705880789.db2.gz HUWZFVKOLZNIHC-XLAORIBOSA-N 2 0 337.508 1.817 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc(CO)cc1)[NH+](C)C ZINC001032635252 705926543 /nfs/dbraw/zinc/92/65/43/705926543.db2.gz YZHKGXLVPONUAV-BZSNNMDCSA-N 2 0 331.460 1.304 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC000998730182 706162479 /nfs/dbraw/zinc/16/24/79/706162479.db2.gz JEUIARZIPFZYDK-HUUCEWRRSA-N 2 0 347.463 1.512 20 0 EDADRP COc1nccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998995442 706413015 /nfs/dbraw/zinc/41/30/15/706413015.db2.gz SMSOXGMFPOFIIK-UYSNPLJNSA-N 2 0 347.463 1.049 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC(NCc2ncccn2)C1 ZINC000998988647 706420603 /nfs/dbraw/zinc/42/06/03/706420603.db2.gz XTRVWYJWMFUAQJ-UHFFFAOYSA-N 2 0 343.475 1.432 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)cn1 ZINC000999347345 706859301 /nfs/dbraw/zinc/85/93/01/706859301.db2.gz JNXDWRSVKRXJAR-HZPDHXFCSA-N 2 0 345.491 1.911 20 0 EDADRP Cc1nonc1CN[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350011 706862397 /nfs/dbraw/zinc/86/23/97/706862397.db2.gz VSMMWADVUCWDHR-JKSUJKDBSA-N 2 0 349.479 1.437 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379538 706873498 /nfs/dbraw/zinc/87/34/98/706873498.db2.gz ZFQYGABJQTXLLZ-NVXWUHKLSA-N 2 0 334.464 1.712 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CCC1 ZINC000999362673 706876574 /nfs/dbraw/zinc/87/65/74/706876574.db2.gz COFCRJNQWUVXMC-SFHVURJKSA-N 2 0 345.487 1.744 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999371022 706885257 /nfs/dbraw/zinc/88/52/57/706885257.db2.gz MPROKYNZFWAMON-SJLPKXTDSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1)[NH+]1CCCCCC1 ZINC000999503381 707000948 /nfs/dbraw/zinc/00/09/48/707000948.db2.gz QSJIHFXVTGBXMT-FAEJEUNOSA-N 2 0 347.507 1.764 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999506402 707003783 /nfs/dbraw/zinc/00/37/83/707003783.db2.gz AOGGPWKKTXSUCI-IAGOWNOFSA-N 2 0 346.475 1.655 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1)[NH+]1CCCCCC1 ZINC000999507351 707004986 /nfs/dbraw/zinc/00/49/86/707004986.db2.gz XJEPROBYCVDFDM-UQPPLGOBSA-N 2 0 348.495 1.159 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000999515864 707014948 /nfs/dbraw/zinc/01/49/48/707014948.db2.gz ZOXTZVSLPPLFLV-ROUUACIJSA-N 2 0 347.507 1.510 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1)[NH+](C)C ZINC000999488278 707023915 /nfs/dbraw/zinc/02/39/15/707023915.db2.gz DMQVKXVMYMPQDX-WMLDXEAASA-N 2 0 333.480 1.250 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594517 707097817 /nfs/dbraw/zinc/09/78/17/707097817.db2.gz BBMXBGRCZHHVHR-INIZCTEOSA-N 2 0 343.475 1.494 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC000999595063 707098169 /nfs/dbraw/zinc/09/81/69/707098169.db2.gz DNQWYWHCCNQAHS-IAGOWNOFSA-N 2 0 335.492 1.622 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3cscn3)C2)CC1 ZINC000999602722 707104199 /nfs/dbraw/zinc/10/41/99/707104199.db2.gz VMDXVROVESXJKG-UHFFFAOYSA-N 2 0 336.505 1.954 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999612123 707127940 /nfs/dbraw/zinc/12/79/40/707127940.db2.gz BHJDIHYLSXJUNQ-NVXWUHKLSA-N 2 0 342.443 1.955 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)CC1 ZINC000999629718 707154714 /nfs/dbraw/zinc/15/47/14/707154714.db2.gz PXSLQUIYJICTFA-UHFFFAOYSA-N 2 0 347.507 1.620 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946779021 707236022 /nfs/dbraw/zinc/23/60/22/707236022.db2.gz CULRPHYNIREBNK-YESZJQIVSA-N 2 0 346.475 1.829 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033255625 707245402 /nfs/dbraw/zinc/24/54/02/707245402.db2.gz KYMVETYUHGDKLT-GOEBONIOSA-N 2 0 343.431 1.449 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2nncn2C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001044767397 707286917 /nfs/dbraw/zinc/28/69/17/707286917.db2.gz ODKXRZSECRUUES-GDBMZVCRSA-N 2 0 348.495 1.016 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033270802 707300442 /nfs/dbraw/zinc/30/04/42/707300442.db2.gz HGSMBYIQPLMWNM-QGZVFWFLSA-N 2 0 338.415 1.377 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735809 707301162 /nfs/dbraw/zinc/30/11/62/707301162.db2.gz REBIPDXZHCMHEF-XLAORIBOSA-N 2 0 337.508 1.534 20 0 EDADRP CCc1nocc1CN1CC[C@H](N(C)C(=O)Cn2cncc2C)C1 ZINC001033268322 707309177 /nfs/dbraw/zinc/30/91/77/707309177.db2.gz YZCROWYUVHSLNR-HNNXBMFYSA-N 2 0 331.420 1.475 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033182685 707358105 /nfs/dbraw/zinc/35/81/05/707358105.db2.gz QVBACTYAACABQZ-QZTJIDSGSA-N 2 0 349.519 1.822 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999838865 707410929 /nfs/dbraw/zinc/41/09/29/707410929.db2.gz XZZTVSFRTGFKCK-QQFBHYJXSA-N 2 0 332.448 1.121 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000999831386 707461052 /nfs/dbraw/zinc/46/10/52/707461052.db2.gz KKGOAAOZLIUMCV-VQCLRJIVSA-N 2 0 348.495 1.064 20 0 EDADRP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cs1 ZINC000999831782 707461659 /nfs/dbraw/zinc/46/16/59/707461659.db2.gz LQULAZMLSSIIBT-DNOWBOINSA-N 2 0 336.505 1.736 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999832326 707463316 /nfs/dbraw/zinc/46/33/16/707463316.db2.gz FKJPDBXKJZTQQW-UHFFFAOYSA-N 2 0 334.464 1.720 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999833575 707465846 /nfs/dbraw/zinc/46/58/46/707465846.db2.gz MZZQTMLLPXUSAT-UHFFFAOYSA-N 2 0 336.867 1.910 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999833804 707466458 /nfs/dbraw/zinc/46/64/58/707466458.db2.gz DGWYDQMVQOMDON-WLYUNCDWSA-N 2 0 336.867 1.766 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC000999973423 707586281 /nfs/dbraw/zinc/58/62/81/707586281.db2.gz KMNCQYACJQMNIW-JKSUJKDBSA-N 2 0 348.495 1.018 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CC[NH+](CC1)C2)C1CCC1 ZINC001032733944 707742791 /nfs/dbraw/zinc/74/27/91/707742791.db2.gz NTPOGVPQDDDQIF-YESZJQIVSA-N 2 0 333.476 1.182 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389576 707759875 /nfs/dbraw/zinc/75/98/75/707759875.db2.gz CXHKMQCPUFSYAD-QGZVFWFLSA-N 2 0 330.476 1.765 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001033226713 707838008 /nfs/dbraw/zinc/83/80/08/707838008.db2.gz VKQFRDSLNRAPQS-ZWKOTPCHSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1nn(C)c(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1Cl ZINC000921734798 707924685 /nfs/dbraw/zinc/92/46/85/707924685.db2.gz ZXEVJCYYWPVXGR-CYBMUJFWSA-N 2 0 325.888 1.640 20 0 EDADRP Cc1nnc(CN[C@@H](C)[C@@H]2CCCCN2C(=O)Cn2ccnc2)s1 ZINC001005010298 707927776 /nfs/dbraw/zinc/92/77/76/707927776.db2.gz PKQXDSKARGPJCA-JSGCOSHPSA-N 2 0 348.476 1.602 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033574952 708249205 /nfs/dbraw/zinc/24/92/05/708249205.db2.gz NYYOVAPHRWKDDP-QAPCUYQASA-N 2 0 337.508 1.676 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001033596375 708301468 /nfs/dbraw/zinc/30/14/68/708301468.db2.gz ZFWCQYRQGYFAIB-AQFXKWCLSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583975 708308794 /nfs/dbraw/zinc/30/87/94/708308794.db2.gz ZKLIIJHSRNAHMW-IAGOWNOFSA-N 2 0 330.476 1.765 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033658124 708428565 /nfs/dbraw/zinc/42/85/65/708428565.db2.gz PMIAZXNXLRLHMO-KRWDZBQOSA-N 2 0 331.460 1.824 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033659449 708471093 /nfs/dbraw/zinc/47/10/93/708471093.db2.gz XHIQMVNBAQLNRW-OAHLLOKOSA-N 2 0 336.505 1.623 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1C ZINC001033661863 708475699 /nfs/dbraw/zinc/47/56/99/708475699.db2.gz MSNAEGFWJYMVSM-ROUUACIJSA-N 2 0 345.487 1.988 20 0 EDADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033685029 708498471 /nfs/dbraw/zinc/49/84/71/708498471.db2.gz RLICTDVRPDGCDF-PKOBYXMFSA-N 2 0 345.487 1.931 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001002037994 708559340 /nfs/dbraw/zinc/55/93/40/708559340.db2.gz SPDMRGIWOZKIHA-KRWDZBQOSA-N 2 0 325.497 1.462 20 0 EDADRP C[C@H](F)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005398273 708881342 /nfs/dbraw/zinc/88/13/42/708881342.db2.gz MXYFSMXSXDODOU-YOEHRIQHSA-N 2 0 325.472 1.999 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002474190 709008818 /nfs/dbraw/zinc/00/88/18/709008818.db2.gz ITSWHVYOBWEISE-GOSISDBHSA-N 2 0 347.507 1.947 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C[C@H](C)OC)C1 ZINC001033897640 709017886 /nfs/dbraw/zinc/01/78/86/709017886.db2.gz MUXHWSREJZOQFO-WMLDXEAASA-N 2 0 330.432 1.906 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033908010 709041211 /nfs/dbraw/zinc/04/12/11/709041211.db2.gz WZKHXWLZBQKLPF-SFANZJOMSA-N 2 0 347.503 1.573 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033942036 709148672 /nfs/dbraw/zinc/14/86/72/709148672.db2.gz VZRGFTZBOZJUJV-QGZVFWFLSA-N 2 0 333.480 1.148 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001002813929 709416439 /nfs/dbraw/zinc/41/64/39/709416439.db2.gz AFGYFPBVORNGMR-OAHLLOKOSA-N 2 0 325.497 1.866 20 0 EDADRP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875780 709482891 /nfs/dbraw/zinc/48/28/91/709482891.db2.gz QZKAVCAKBHTCON-DIZWUGPBSA-N 2 0 327.856 1.183 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032831301 709508281 /nfs/dbraw/zinc/50/82/81/709508281.db2.gz GTZOHYZEFMGPIA-BPQIPLTHSA-N 2 0 331.460 1.395 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034208998 709557713 /nfs/dbraw/zinc/55/77/13/709557713.db2.gz WELXNPYIUQOPRY-MSOLQXFVSA-N 2 0 345.491 1.233 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210796 709561455 /nfs/dbraw/zinc/56/14/55/709561455.db2.gz JRCOXHNKCLJQKH-OALUTQOASA-N 2 0 349.519 1.726 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271480 709678403 /nfs/dbraw/zinc/67/84/03/709678403.db2.gz NNHNMEVOFAPNCQ-ROUUACIJSA-N 2 0 347.507 1.418 20 0 EDADRP Cc1ncoc1C[N@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034376881 709897747 /nfs/dbraw/zinc/89/77/47/709897747.db2.gz HRXWEERZUDNOAA-INIZCTEOSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478866 710087291 /nfs/dbraw/zinc/08/72/91/710087291.db2.gz PMEZMDUYZDJNEB-CRAIPNDOSA-N 2 0 337.508 1.460 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034527782 710181276 /nfs/dbraw/zinc/18/12/76/710181276.db2.gz HXNUWUSPTLHTNI-ZWKOTPCHSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034544375 710217982 /nfs/dbraw/zinc/21/79/82/710217982.db2.gz QTFZEJFEKBRLFF-NVXWUHKLSA-N 2 0 333.476 1.713 20 0 EDADRP Cc1cnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034606706 710270035 /nfs/dbraw/zinc/27/00/35/710270035.db2.gz ASFAPHPJFBXBKU-NBOOPKSLSA-N 2 0 345.491 1.957 20 0 EDADRP Cc1cnc([C@@H](C)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001032839624 710282148 /nfs/dbraw/zinc/28/21/48/710282148.db2.gz JILWITDPBFVCSW-INMHGKMJSA-N 2 0 331.464 1.521 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[NH+]1CCCCC1 ZINC001034643751 710319692 /nfs/dbraw/zinc/31/96/92/710319692.db2.gz FMHZKMQDWDWHGG-SHTZXODSSA-N 2 0 349.479 1.851 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034648254 710325012 /nfs/dbraw/zinc/32/50/12/710325012.db2.gz GMVSQEPHEXFZAA-IIAWOOMASA-N 2 0 349.504 1.397 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)CC1 ZINC001003546913 710413562 /nfs/dbraw/zinc/41/35/62/710413562.db2.gz FMUILWBQMZEYRM-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(CC[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC001003630886 710460121 /nfs/dbraw/zinc/46/01/21/710460121.db2.gz OXGIYIDFKCTHBQ-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636238 710463180 /nfs/dbraw/zinc/46/31/80/710463180.db2.gz UIGMIWQHNHUNAW-CZUORRHYSA-N 2 0 348.491 1.824 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735325 710517363 /nfs/dbraw/zinc/51/73/63/710517363.db2.gz ICAXOJRKXYUMEK-HOCLYGCPSA-N 2 0 338.496 1.095 20 0 EDADRP Cc1noc([C@H](C)N2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001005588570 710622004 /nfs/dbraw/zinc/62/20/04/710622004.db2.gz MCJPKKCOSVGQDA-XJKSGUPXSA-N 2 0 349.479 1.846 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)CC1 ZINC001034720686 710871728 /nfs/dbraw/zinc/87/17/28/710871728.db2.gz GMMYXVVIAUKZQM-SZMVWBNQSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034733400 710913535 /nfs/dbraw/zinc/91/35/35/710913535.db2.gz BHYYCGYYRVGUNV-XLAORIBOSA-N 2 0 337.508 1.914 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034734015 710914795 /nfs/dbraw/zinc/91/47/95/710914795.db2.gz HAHSVWCKZRTWHX-BPUTZDHNSA-N 2 0 334.464 1.842 20 0 EDADRP Cc1nc([C@H](C)N[C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)no1 ZINC001034735383 710920077 /nfs/dbraw/zinc/92/00/77/710920077.db2.gz GENNTXVMQXULLV-SDADXPQNSA-N 2 0 349.479 1.940 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034739238 710933767 /nfs/dbraw/zinc/93/37/67/710933767.db2.gz ZNUIYLPTDFDOOY-XUXIUFHCSA-N 2 0 337.493 1.253 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC001034737006 710948077 /nfs/dbraw/zinc/94/80/77/710948077.db2.gz GNOYZZPCKKSYRM-DNNBLBMLSA-N 2 0 334.464 1.698 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034737219 710949248 /nfs/dbraw/zinc/94/92/48/710949248.db2.gz HOYQJUMYYAHCPE-YHUYYLMFSA-N 2 0 348.495 1.013 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001034777915 711057120 /nfs/dbraw/zinc/05/71/20/711057120.db2.gz MKPNVVMQZJRFLD-LUKYLMHMSA-N 2 0 335.492 1.667 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1 ZINC001034778515 711080496 /nfs/dbraw/zinc/08/04/96/711080496.db2.gz UXSLBKRVXBWJRH-HDJSIYSDSA-N 2 0 343.431 1.966 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034958148 711431070 /nfs/dbraw/zinc/43/10/70/711431070.db2.gz BLUFDAYDQRWOCY-QZTJIDSGSA-N 2 0 330.476 1.811 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)C1 ZINC001034958856 711432667 /nfs/dbraw/zinc/43/26/67/711432667.db2.gz MPMASLGHLUCNRC-DLBZAZTESA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001034969770 711448937 /nfs/dbraw/zinc/44/89/37/711448937.db2.gz LTRCRDVTNUCODT-QGZVFWFLSA-N 2 0 346.475 1.940 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392122 711457382 /nfs/dbraw/zinc/45/73/82/711457382.db2.gz BMRGSDLTNJIKAM-ZAWLATJESA-N 2 0 343.475 1.689 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)c(C)n1 ZINC001004148421 711561409 /nfs/dbraw/zinc/56/14/09/711561409.db2.gz ROQCEFMWZCCXIA-UHFFFAOYSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)CC1 ZINC001004521090 711920309 /nfs/dbraw/zinc/92/03/09/711920309.db2.gz GFMRCVLGCBCNDS-GOSISDBHSA-N 2 0 337.508 1.414 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CC[NH+](CCn2cncn2)C1 ZINC001033147143 712038412 /nfs/dbraw/zinc/03/84/12/712038412.db2.gz UEPGGPSYNKCIAR-IAGOWNOFSA-N 2 0 348.495 1.074 20 0 EDADRP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC[C@@H]2C1)OC ZINC000946642940 712130049 /nfs/dbraw/zinc/13/00/49/712130049.db2.gz WZTRTQWRRUCYJJ-XMTFNYHQSA-N 2 0 339.524 1.922 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946677701 712369580 /nfs/dbraw/zinc/36/95/80/712369580.db2.gz JOMSKYGVHHRESX-GASCZTMLSA-N 2 0 328.416 1.111 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439774 712589456 /nfs/dbraw/zinc/58/94/56/712589456.db2.gz JGTFLUZYWQADGP-OTWHNJEPSA-N 2 0 345.487 1.511 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000074532932 295659274 /nfs/dbraw/zinc/65/92/74/295659274.db2.gz GUQPFINQUZJYRB-KRWDZBQOSA-N 2 0 339.443 1.622 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC1 ZINC000174206987 231150179 /nfs/dbraw/zinc/15/01/79/231150179.db2.gz ZAKPHTLFARAXTF-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000364574903 295693870 /nfs/dbraw/zinc/69/38/70/295693870.db2.gz AIZJVNLJJPMWCP-ICSRJNTNSA-N 2 0 343.471 1.259 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000183212030 282257193 /nfs/dbraw/zinc/25/71/93/282257193.db2.gz XYFBTPASLDVVAP-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000561176988 306283821 /nfs/dbraw/zinc/28/38/21/306283821.db2.gz HHSCVKBFSQHNFO-PVAVHDDUSA-N 2 0 334.464 1.312 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000339352908 539707709 /nfs/dbraw/zinc/70/77/09/539707709.db2.gz RJHMYQKEZMVFFX-CVEARBPZSA-N 2 0 325.497 1.555 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339276887 539705399 /nfs/dbraw/zinc/70/53/99/539705399.db2.gz SPABQKFNSUNXDV-SFHVURJKSA-N 2 0 338.540 1.785 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000562789014 306308938 /nfs/dbraw/zinc/30/89/38/306308938.db2.gz IHJDFVCANNNECP-VQIMIIECSA-N 2 0 344.503 1.991 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000354676166 299211207 /nfs/dbraw/zinc/21/12/07/299211207.db2.gz NWJQKDVSDGEBMM-IXDOHACOSA-N 2 0 337.508 1.866 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1 ZINC000165928279 540074278 /nfs/dbraw/zinc/07/42/78/540074278.db2.gz OLWNTQQLBAVBSA-YOEHRIQHSA-N 2 0 332.452 1.670 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000563503976 306336030 /nfs/dbraw/zinc/33/60/30/306336030.db2.gz INZFLHWQZGPKLQ-UHFFFAOYSA-N 2 0 345.491 1.480 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073236446 138215780 /nfs/dbraw/zinc/21/57/80/138215780.db2.gz FQYZUPFUVAHNFO-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000077622389 138253515 /nfs/dbraw/zinc/25/35/15/138253515.db2.gz QDSSFBWYNMKZBV-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343020548 283210238 /nfs/dbraw/zinc/21/02/38/283210238.db2.gz QUFNQHRSVLKFFL-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP CC[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Oc1ccccc1C ZINC000563588490 306340101 /nfs/dbraw/zinc/34/01/01/306340101.db2.gz PTMBWCPANIJAKD-HZPDHXFCSA-N 2 0 334.464 1.437 20 0 EDADRP CCCCCn1cc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)n1 ZINC000563588168 306340115 /nfs/dbraw/zinc/34/01/15/306340115.db2.gz XSDGZIGOVDCRIK-MRXNPFEDSA-N 2 0 336.484 1.166 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000423414269 283231937 /nfs/dbraw/zinc/23/19/37/283231937.db2.gz MMNOODTYPVHBHX-CVEARBPZSA-N 2 0 340.512 1.010 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@H](N3CCOCC3)C[C@H]2C)CC1 ZINC000563868915 306350704 /nfs/dbraw/zinc/35/07/04/306350704.db2.gz XMKHJYPSHPHYGS-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000413846766 304081159 /nfs/dbraw/zinc/08/11/59/304081159.db2.gz UIYVEMPMJLAZDU-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000564651345 306362035 /nfs/dbraw/zinc/36/20/35/306362035.db2.gz INGPTAJEFMLJMX-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000564652203 306362194 /nfs/dbraw/zinc/36/21/94/306362194.db2.gz FNQZEDIZPVMKRX-GBESFXJTSA-N 2 0 342.487 1.846 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000564654635 306362277 /nfs/dbraw/zinc/36/22/77/306362277.db2.gz HNETYDVCPWZFCK-MJGOQNOKSA-N 2 0 328.460 1.506 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000414006892 304094099 /nfs/dbraw/zinc/09/40/99/304094099.db2.gz RIFVIIWJXMMYJK-SFHVURJKSA-N 2 0 344.503 1.718 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000565099585 306375591 /nfs/dbraw/zinc/37/55/91/306375591.db2.gz VDXROVCLTHVTLN-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)N1CCN(CCO)C[C@H]1C)CC2 ZINC000565406465 306382986 /nfs/dbraw/zinc/38/29/86/306382986.db2.gz DINHBVSODKOSJY-KGLIPLIRSA-N 2 0 334.464 1.163 20 0 EDADRP CC(C)(CN1CCOCC1)NC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000565409192 306383255 /nfs/dbraw/zinc/38/32/55/306383255.db2.gz SCKYOOYVXLXYEZ-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP O=C([C@H]1CCCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000565421454 306383584 /nfs/dbraw/zinc/38/35/84/306383584.db2.gz CJIVJROBAGFUSK-MRXNPFEDSA-N 2 0 345.491 1.725 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)COC2CCC([NH3+])CC2)CC1 ZINC000566012958 306396496 /nfs/dbraw/zinc/39/64/96/306396496.db2.gz ZWKHFIWFUBSBJL-UHFFFAOYSA-N 2 0 347.463 1.058 20 0 EDADRP C[NH+]1CCC(C[NH2+]C/C=C/c2ccncc2)(N2CCOCC2)CC1 ZINC000414478315 304117902 /nfs/dbraw/zinc/11/79/02/304117902.db2.gz DNYGSXNMSSXWDN-NSCUHMNNSA-N 2 0 330.476 1.481 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000414693636 304128261 /nfs/dbraw/zinc/12/82/61/304128261.db2.gz CNYRPQBQRDQZCP-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414701198 304129675 /nfs/dbraw/zinc/12/96/75/304129675.db2.gz UFSXSWVLBCMBHC-WMZOPIPTSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000414736930 304135011 /nfs/dbraw/zinc/13/50/11/304135011.db2.gz HYWFFCFQVXLWEJ-HUUCEWRRSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)C[NH+]1CCCCC1 ZINC000414736923 304134868 /nfs/dbraw/zinc/13/48/68/304134868.db2.gz HYWFFCFQVXLWEJ-CABCVRRESA-N 2 0 346.475 1.883 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000414740465 304135581 /nfs/dbraw/zinc/13/55/81/304135581.db2.gz RDKPFSIUWDCODU-PBHICJAKSA-N 2 0 346.475 1.881 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786170 304140362 /nfs/dbraw/zinc/14/03/62/304140362.db2.gz UFUWVQNRDZSCPH-IRXDYDNUSA-N 2 0 347.507 1.387 20 0 EDADRP Fc1cc(Br)ccc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414787568 304140891 /nfs/dbraw/zinc/14/08/91/304140891.db2.gz ZEEKYOXBXCYEIO-UHFFFAOYSA-N 2 0 330.245 1.973 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414810228 304143419 /nfs/dbraw/zinc/14/34/19/304143419.db2.gz VBICIGDATKQBKE-BJJXKVORSA-N 2 0 333.432 1.907 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414841361 304146786 /nfs/dbraw/zinc/14/67/86/304146786.db2.gz NSTIYNAFHCCRNP-HNNXBMFYSA-N 2 0 349.475 1.689 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000073915364 203276325 /nfs/dbraw/zinc/27/63/25/203276325.db2.gz XAECSPPEXBUHOI-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP c1cc2c(cc1C[NH2+]C1CCC([NH+]3CCNCC3)CC1)OCCO2 ZINC000415046076 304154276 /nfs/dbraw/zinc/15/42/76/304154276.db2.gz CKEMRCTYNMJVRK-UHFFFAOYSA-N 2 0 331.460 1.764 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CCOc2ccc(F)cc2F)C1 ZINC000415089720 304158530 /nfs/dbraw/zinc/15/85/30/304158530.db2.gz WOSLHNVWHFOKCM-GFCCVEGCSA-N 2 0 327.375 1.131 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CNCCO2)CC1 ZINC000415096156 304159568 /nfs/dbraw/zinc/15/95/68/304159568.db2.gz PBAXHBWDXUZDLQ-SFHVURJKSA-N 2 0 332.492 1.297 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423346834 296166772 /nfs/dbraw/zinc/16/67/72/296166772.db2.gz PTHXGLWZHDQXSW-LSDHHAIUSA-N 2 0 331.464 1.577 20 0 EDADRP C[C@@H](CNC(=O)c1csc(CC[NH3+])n1)[N@@H+]1CCc2ccccc2C1 ZINC000194832558 139000931 /nfs/dbraw/zinc/00/09/31/139000931.db2.gz IXMFZLMTCPBOFV-ZDUSSCGKSA-N 2 0 344.484 1.821 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000105191859 204138312 /nfs/dbraw/zinc/13/83/12/204138312.db2.gz GHJHBDUWJMITAV-AWEZNQCLSA-N 2 0 333.436 1.016 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(=O)OC)c3)C2)CC1 ZINC000107369749 204233317 /nfs/dbraw/zinc/23/33/17/204233317.db2.gz VRXBSIOCUXYBPZ-SFHVURJKSA-N 2 0 331.460 1.685 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4c(c3)c(C)nn4C)C2)CC1 ZINC000107369261 204234230 /nfs/dbraw/zinc/23/42/30/204234230.db2.gz NXDACZCOWWWUDV-QGZVFWFLSA-N 2 0 342.491 1.489 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000195159249 139008320 /nfs/dbraw/zinc/00/83/20/139008320.db2.gz TTZAMAQLNTVAIK-LJQANCHMSA-N 2 0 344.503 1.310 20 0 EDADRP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000415139648 304163583 /nfs/dbraw/zinc/16/35/83/304163583.db2.gz IWSMSBBQYJPNEK-UHFFFAOYSA-N 2 0 328.460 1.834 20 0 EDADRP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)[nH+]1 ZINC000195516191 139018774 /nfs/dbraw/zinc/01/87/74/139018774.db2.gz HCDREKWMVOZUJD-IXDOHACOSA-N 2 0 346.475 1.760 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C[NH3+])C3CC3)cc2)CC1 ZINC000236613900 139026955 /nfs/dbraw/zinc/02/69/55/139026955.db2.gz JUOJQNMPTKPDBE-GOSISDBHSA-N 2 0 330.476 1.684 20 0 EDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000236715506 139029344 /nfs/dbraw/zinc/02/93/44/139029344.db2.gz ZHLMIHMHFCWMBS-GOSISDBHSA-N 2 0 333.480 1.327 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237162921 139042778 /nfs/dbraw/zinc/04/27/78/139042778.db2.gz GLHLKOHPTVJEAR-SQNIBIBYSA-N 2 0 336.524 1.297 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C)[C@@H](C)[C@H]2C)c1 ZINC000415179504 304171537 /nfs/dbraw/zinc/17/15/37/304171537.db2.gz JYPCJNGTUVIQQA-UONOGXRCSA-N 2 0 332.448 1.286 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415179286 304171553 /nfs/dbraw/zinc/17/15/53/304171553.db2.gz LCJXWXCAQFECEO-KRWDZBQOSA-N 2 0 344.459 1.214 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000128791372 205163597 /nfs/dbraw/zinc/16/35/97/205163597.db2.gz PQVYHPKIOBPUPP-QZTJIDSGSA-N 2 0 330.476 1.585 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1OCCc2ccccc21 ZINC000130149647 205224742 /nfs/dbraw/zinc/22/47/42/205224742.db2.gz SYCZSZOYAFUSEU-LJQANCHMSA-N 2 0 345.487 1.785 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)c1ccc(S(=O)(=O)Nc2ccncc2)cc1 ZINC000237471137 139051990 /nfs/dbraw/zinc/05/19/90/139051990.db2.gz DGKTYGSZVDYCPU-LBPRGKRZSA-N 2 0 348.428 1.302 20 0 EDADRP Cc1nccn1CCC[N@@H+](C)CC(=O)NC(=O)NC1CCCCC1 ZINC000130518898 205244090 /nfs/dbraw/zinc/24/40/90/205244090.db2.gz FGFIFZNFBYRIEZ-UHFFFAOYSA-N 2 0 335.452 1.672 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2[nH]c(=O)oc21 ZINC000132781230 205341668 /nfs/dbraw/zinc/34/16/68/205341668.db2.gz AFHIGMWLMSEGAC-UHFFFAOYSA-N 2 0 348.447 1.467 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000133970459 205386270 /nfs/dbraw/zinc/38/62/70/205386270.db2.gz ULRXXGDJWKGECF-GOSISDBHSA-N 2 0 344.503 1.718 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415211162 304175368 /nfs/dbraw/zinc/17/53/68/304175368.db2.gz LGFUJPQMASFJEW-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000111852234 220208812 /nfs/dbraw/zinc/20/88/12/220208812.db2.gz OPPXMWHHHWZFLZ-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000155402903 206004747 /nfs/dbraw/zinc/00/47/47/206004747.db2.gz QOCPQUAVMUSWOD-INIZCTEOSA-N 2 0 333.480 1.083 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245940893 139090547 /nfs/dbraw/zinc/09/05/47/139090547.db2.gz QZGIRONEBFKKCO-POAQFYNOSA-N 2 0 345.487 1.612 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159155606 206227822 /nfs/dbraw/zinc/22/78/22/206227822.db2.gz STHOMUDGVUZUIL-SJORKVTESA-N 2 0 344.459 1.558 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000415292711 304187568 /nfs/dbraw/zinc/18/75/68/304187568.db2.gz HXCAGCLEFSGBAL-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000246288648 139102538 /nfs/dbraw/zinc/10/25/38/139102538.db2.gz NAYYOOWHTITXFH-MGTHKWJCSA-N 2 0 333.451 1.961 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCS[C@@H]3COCC[C@H]32)CC1 ZINC000246972152 139129113 /nfs/dbraw/zinc/12/91/13/139129113.db2.gz OPGYFYDBIFUHRO-HZPDHXFCSA-N 2 0 341.521 1.182 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)CC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000103508567 206402286 /nfs/dbraw/zinc/40/22/86/206402286.db2.gz JZTIGWQMOORKQI-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415342709 304198716 /nfs/dbraw/zinc/19/87/16/304198716.db2.gz JUTYJQBXDHORQG-CQSZACIVSA-N 2 0 344.459 1.082 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2CCCC[NH2+]2)c1 ZINC000164759111 206505632 /nfs/dbraw/zinc/50/56/32/206505632.db2.gz PTQCMZKYBVGMET-KRWDZBQOSA-N 2 0 346.475 1.839 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C)C2)c1 ZINC000415372751 304207044 /nfs/dbraw/zinc/20/70/44/304207044.db2.gz HYKSGFHMCRMVBH-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000415385734 304210948 /nfs/dbraw/zinc/21/09/48/304210948.db2.gz AHYNCZGDCDLTTA-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[C@H](C)C[N@H+](CC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000248356571 139160623 /nfs/dbraw/zinc/16/06/23/139160623.db2.gz OLWFOJLPSSJNDX-IRXDYDNUSA-N 2 0 327.513 1.827 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415414058 304217294 /nfs/dbraw/zinc/21/72/94/304217294.db2.gz JGPHLBNEMZNSPR-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000112214043 220264297 /nfs/dbraw/zinc/26/42/97/220264297.db2.gz ZJSCLJNZKWALDP-SJORKVTESA-N 2 0 338.496 1.225 20 0 EDADRP COC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249280356 139190172 /nfs/dbraw/zinc/19/01/72/139190172.db2.gz GBAPTBDRUJIMHE-APWZRJJASA-N 2 0 347.459 1.291 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000251669585 139202264 /nfs/dbraw/zinc/20/22/64/139202264.db2.gz LQQAMMUHXSRSNR-OAGGEKHMSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000261542009 139208668 /nfs/dbraw/zinc/20/86/68/139208668.db2.gz GHOJHQMVLMDCFL-CYBMUJFWSA-N 2 0 332.473 1.895 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000261613106 139211003 /nfs/dbraw/zinc/21/10/03/139211003.db2.gz FBCVGSBABUIVDR-GPMSIDNRSA-N 2 0 337.508 1.850 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]([NH3+])C3CCOCC3)C2)CC1 ZINC000261617116 139211372 /nfs/dbraw/zinc/21/13/72/139211372.db2.gz BWTJGJKTPVOONW-FUHWJXTLSA-N 2 0 337.508 1.711 20 0 EDADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000261773108 139224743 /nfs/dbraw/zinc/22/47/43/139224743.db2.gz IWWXOTQAKMERHJ-MRXNPFEDSA-N 2 0 333.480 1.196 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000261877701 139233341 /nfs/dbraw/zinc/23/33/41/139233341.db2.gz RIZDBGIDCYEOMU-KRWDZBQOSA-N 2 0 337.508 1.775 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@@H]3C[NH3+])ccc21 ZINC000415487353 304223939 /nfs/dbraw/zinc/22/39/39/304223939.db2.gz RSGVRXPTMNWKSR-GDBMZVCRSA-N 2 0 330.432 1.124 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[NH+](C)C)cc1 ZINC000261928249 139237930 /nfs/dbraw/zinc/23/79/30/139237930.db2.gz ZONPLAABPVXJDD-ZWKOTPCHSA-N 2 0 333.476 1.722 20 0 EDADRP CN(CCOc1ccc(Cl)cc1Cl)CC(=O)N1CC[NH2+]CC1 ZINC000261918392 139236830 /nfs/dbraw/zinc/23/68/30/139236830.db2.gz HKNZTKZSYNDHGM-UHFFFAOYSA-N 2 0 346.258 1.736 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261923884 139237506 /nfs/dbraw/zinc/23/75/06/139237506.db2.gz YZYGLDDLCFZBGT-KRWDZBQOSA-N 2 0 348.447 1.269 20 0 EDADRP C[NH2+]CCC1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000261964135 139240308 /nfs/dbraw/zinc/24/03/08/139240308.db2.gz AKCJJSQLLSZJDZ-UHFFFAOYSA-N 2 0 325.478 1.286 20 0 EDADRP C[C@H](CCNC(=O)[C@H]([NH3+])C1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000262017116 139244120 /nfs/dbraw/zinc/24/41/20/139244120.db2.gz ONKQQBUGEQFMMZ-CRAIPNDOSA-N 2 0 333.476 1.767 20 0 EDADRP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000262031925 139245297 /nfs/dbraw/zinc/24/52/97/139245297.db2.gz XQIAVAKWNAUKRX-BRWVUGGUSA-N 2 0 347.459 1.631 20 0 EDADRP COCCN1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000174359336 207014304 /nfs/dbraw/zinc/01/43/04/207014304.db2.gz BTCLDOFRXSCFIU-UHFFFAOYSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262195263 139259013 /nfs/dbraw/zinc/25/90/13/139259013.db2.gz ZXOOUOPMHFGCTM-IBGZPJMESA-N 2 0 330.476 1.396 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)Nc1cnc3c(c1)C[C@H]([NH3+])CC3)C2 ZINC000262306952 139268595 /nfs/dbraw/zinc/26/85/95/139268595.db2.gz CHVCIUQCZCDHCS-AOKIIZLESA-N 2 0 328.460 1.990 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC(C)(C)C[NH3+])[NH+](C)C)cc1OC ZINC000416831232 251111591 /nfs/dbraw/zinc/11/15/91/251111591.db2.gz SLWCNAPDRRZVMQ-CYBMUJFWSA-N 2 0 338.452 1.343 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416831299 251112469 /nfs/dbraw/zinc/11/24/69/251112469.db2.gz AVMCBPNDPASFIY-FUHWJXTLSA-N 2 0 328.460 1.797 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000416871639 251114361 /nfs/dbraw/zinc/11/43/61/251114361.db2.gz PUILEYFUABBOGG-CVEARBPZSA-N 2 0 326.485 1.160 20 0 EDADRP CC[NH2+]CCNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000416989270 251119681 /nfs/dbraw/zinc/11/96/81/251119681.db2.gz LXYBQNBOUIERLF-UHFFFAOYSA-N 2 0 347.507 1.233 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417010914 251130588 /nfs/dbraw/zinc/13/05/88/251130588.db2.gz QQWWSEMISVHEEB-KLAILNCOSA-N 2 0 339.528 1.232 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000416997462 251123487 /nfs/dbraw/zinc/12/34/87/251123487.db2.gz AGSDCMMBKXLAMU-MSOLQXFVSA-N 2 0 348.491 1.227 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000416999205 251125272 /nfs/dbraw/zinc/12/52/72/251125272.db2.gz BQRZIHLEXLAKJS-WNRNVDISSA-N 2 0 330.476 1.457 20 0 EDADRP CCC(CC)(CNC(=O)CNC(=O)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000262332901 139270932 /nfs/dbraw/zinc/27/09/32/139270932.db2.gz BISVFICZZXMFKN-CQSZACIVSA-N 2 0 334.464 1.087 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000417023967 251138568 /nfs/dbraw/zinc/13/85/68/251138568.db2.gz PVCCXIWKLLXCQS-QGZVFWFLSA-N 2 0 345.491 1.202 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CCOC3(C[NH2+]C3)C2)[NH+]2CCCC2)o1 ZINC000417413087 251164505 /nfs/dbraw/zinc/16/45/05/251164505.db2.gz BAGUJJKPEUBGAI-HNNXBMFYSA-N 2 0 348.447 1.109 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NC[C@H](C)C[NH3+])CCCC2)CC1 ZINC000417550936 251186517 /nfs/dbraw/zinc/18/65/17/251186517.db2.gz XUFHKSKWCLASDM-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417555191 251187774 /nfs/dbraw/zinc/18/77/74/251187774.db2.gz LJJYLZJNCAOYMS-KRWDZBQOSA-N 2 0 339.528 1.236 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH2+]CCOC)C1 ZINC000417585617 251198635 /nfs/dbraw/zinc/19/86/35/251198635.db2.gz PPKREXOEBJWTPN-OAHLLOKOSA-N 2 0 328.501 1.422 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417596908 251202657 /nfs/dbraw/zinc/20/26/57/251202657.db2.gz QYXMLFCIZPDMPH-OAHLLOKOSA-N 2 0 334.464 1.698 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@H]2C)[C@@H](C)C1 ZINC000417667838 251220622 /nfs/dbraw/zinc/22/06/22/251220622.db2.gz HPEHEILUNDCSQY-YVSFHVDLSA-N 2 0 340.512 1.502 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000417626994 251209549 /nfs/dbraw/zinc/20/95/49/251209549.db2.gz OXLWHHSWZGLERO-ROUUACIJSA-N 2 0 346.475 1.534 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCC[NH2+]1 ZINC000417675437 251224823 /nfs/dbraw/zinc/22/48/23/251224823.db2.gz CANFYOCFRGDLMY-WMLDXEAASA-N 2 0 328.501 1.421 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC[NH2+]1 ZINC000417675435 251225203 /nfs/dbraw/zinc/22/52/03/251225203.db2.gz CANFYOCFRGDLMY-PBHICJAKSA-N 2 0 328.501 1.421 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417754930 251258470 /nfs/dbraw/zinc/25/84/70/251258470.db2.gz QJSCRQTVFJUKGD-JKSUJKDBSA-N 2 0 327.517 1.077 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176101218 207190431 /nfs/dbraw/zinc/19/04/31/207190431.db2.gz FMEKAOHMVJYUEO-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)CN1CCN(c2ccccc2)CC1 ZINC000417721465 251243368 /nfs/dbraw/zinc/24/33/68/251243368.db2.gz AKQOYUGVZASGHH-HOTGVXAUSA-N 2 0 333.480 1.234 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417745544 251253195 /nfs/dbraw/zinc/25/31/95/251253195.db2.gz FRQVHMIRRGVLHD-QGZVFWFLSA-N 2 0 326.485 1.176 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000417830844 251288174 /nfs/dbraw/zinc/28/81/74/251288174.db2.gz BMQBALACEJHPCM-MRXNPFEDSA-N 2 0 326.485 1.114 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000417800688 251274201 /nfs/dbraw/zinc/27/42/01/251274201.db2.gz CHUNZXOGSRRMTJ-UHFFFAOYSA-N 2 0 328.501 1.693 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@H](C[NH3+])C1 ZINC000417803485 251276697 /nfs/dbraw/zinc/27/66/97/251276697.db2.gz WKXSBFYANNZHLW-JKSUJKDBSA-N 2 0 328.501 1.643 20 0 EDADRP C[C@H](CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000417810900 251278706 /nfs/dbraw/zinc/27/87/06/251278706.db2.gz JAPXVUFVBYLAJW-AEFFLSMTSA-N 2 0 348.491 1.656 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417806660 251279260 /nfs/dbraw/zinc/27/92/60/251279260.db2.gz IZCKXLULQYDCEA-HZPDHXFCSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000262485634 139281759 /nfs/dbraw/zinc/28/17/59/139281759.db2.gz YNWXJTVDSFKWEV-QXGSTGNESA-N 2 0 345.487 1.504 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417815343 251280142 /nfs/dbraw/zinc/28/01/42/251280142.db2.gz BWJSUFJGMIJSRF-RYRKJORJSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417816060 251280521 /nfs/dbraw/zinc/28/05/21/251280521.db2.gz BZKYFBJIIMECEF-NUJGCVRESA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417872697 251306976 /nfs/dbraw/zinc/30/69/76/251306976.db2.gz LDTMOMMYEMIGJJ-BGTYHANMSA-N 2 0 328.460 1.510 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417992490 251318462 /nfs/dbraw/zinc/31/84/62/251318462.db2.gz MQHMGYVYHUKSIY-IAGOWNOFSA-N 2 0 334.464 1.036 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418112831 251326542 /nfs/dbraw/zinc/32/65/42/251326542.db2.gz ZFKIZLLGZZPQGE-OKZBNKHCSA-N 2 0 330.476 1.935 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000418423360 251367005 /nfs/dbraw/zinc/36/70/05/251367005.db2.gz BZZMOUIRIZAPPX-OAHLLOKOSA-N 3 0 327.517 1.027 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418422289 251367126 /nfs/dbraw/zinc/36/71/26/251367126.db2.gz DMNSTCCYRRZBLE-BZSNNMDCSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000262530817 139284607 /nfs/dbraw/zinc/28/46/07/139284607.db2.gz NJBMBKRBZIZNBV-QZTJIDSGSA-N 2 0 346.519 1.997 20 0 EDADRP CSC1(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[NH+](C)CC1 ZINC000418195449 251352985 /nfs/dbraw/zinc/35/29/85/251352985.db2.gz FYUQIBAKRVSYOL-NSHDSACASA-N 2 0 336.452 1.110 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199152 251355323 /nfs/dbraw/zinc/35/53/23/251355323.db2.gz MWZUERBINGUXFL-OAHLLOKOSA-N 2 0 328.501 1.422 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)CC[NH+](C)CC1 ZINC000418201809 251355695 /nfs/dbraw/zinc/35/56/95/251355695.db2.gz SOQNCEQAXMRRDH-KBPBESRZSA-N 2 0 326.510 1.065 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262533764 139284678 /nfs/dbraw/zinc/28/46/78/139284678.db2.gz OURWHNGWCWUBQN-IAGOWNOFSA-N 2 0 332.492 1.294 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262533763 139284707 /nfs/dbraw/zinc/28/47/07/139284707.db2.gz OURWHNGWCWUBQN-DLBZAZTESA-N 2 0 332.492 1.294 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000418321186 251359354 /nfs/dbraw/zinc/35/93/54/251359354.db2.gz AIWWIULQYUGWKZ-GOSISDBHSA-N 2 0 345.491 1.592 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418708051 251390308 /nfs/dbraw/zinc/39/03/08/251390308.db2.gz UCBRCSFIWPRJTN-NEPJUHHUSA-N 2 0 328.407 1.774 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418626041 251380855 /nfs/dbraw/zinc/38/08/55/251380855.db2.gz KQFTXYJBTGZRKN-NVXWUHKLSA-N 2 0 333.480 1.685 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])CC[N@@H+]1CCOC ZINC000418678133 251384162 /nfs/dbraw/zinc/38/41/62/251384162.db2.gz VEIDWFCUINHBOP-JKSUJKDBSA-N 2 0 328.501 1.646 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000262624629 139290971 /nfs/dbraw/zinc/29/09/71/139290971.db2.gz AXYSYUXAUUGPTB-UHFFFAOYSA-N 2 0 330.476 1.762 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])CCCCC3)cn2)CC1 ZINC000262663158 139294485 /nfs/dbraw/zinc/29/44/85/139294485.db2.gz ZYUYAQQAINVPSL-UHFFFAOYSA-N 2 0 331.464 1.111 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000262684279 139296255 /nfs/dbraw/zinc/29/62/55/139296255.db2.gz ZSQVXPHXRZMPDT-JKSUJKDBSA-N 2 0 346.475 1.824 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262680817 139295988 /nfs/dbraw/zinc/29/59/88/139295988.db2.gz XAYSBGXFTVJRBY-QGZVFWFLSA-N 2 0 346.475 1.256 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262768229 139302316 /nfs/dbraw/zinc/30/23/16/139302316.db2.gz MCIQGANAFPYEIZ-INIZCTEOSA-N 2 0 333.480 1.802 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@H]2CSCC[NH2+]2)C[C@H](C)O1 ZINC000262800165 139304550 /nfs/dbraw/zinc/30/45/50/139304550.db2.gz PBDGFQOYRDSIOH-FZKCQIBNSA-N 2 0 341.521 1.182 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000262804168 139304770 /nfs/dbraw/zinc/30/47/70/139304770.db2.gz PPJOMOBAWGJDJF-IRXDYDNUSA-N 2 0 330.476 1.408 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422893477 252013661 /nfs/dbraw/zinc/01/36/61/252013661.db2.gz QSJBKRYXDYCWAV-QZTJIDSGSA-N 3 0 330.520 1.912 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422814635 251985093 /nfs/dbraw/zinc/98/50/93/251985093.db2.gz VRQMGQGBRBZNNE-KRWDZBQOSA-N 2 0 338.471 1.291 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423009294 252025483 /nfs/dbraw/zinc/02/54/83/252025483.db2.gz CNFCBNRHWISOBK-SDDRHHMPSA-N 2 0 333.354 1.821 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423345348 252048172 /nfs/dbraw/zinc/04/81/72/252048172.db2.gz YUUZXWJSCCUKHW-LBPRGKRZSA-N 2 0 342.281 1.979 20 0 EDADRP [NH3+]CCCn1cc(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)nn1 ZINC000423351094 252049491 /nfs/dbraw/zinc/04/94/91/252049491.db2.gz HLSCLJMMXAGHDT-UHFFFAOYSA-N 2 0 348.495 1.355 20 0 EDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423949047 252106464 /nfs/dbraw/zinc/10/64/64/252106464.db2.gz GUOCUPDXHSQMOC-KRWDZBQOSA-N 2 0 332.492 1.688 20 0 EDADRP C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1C[NH3+] ZINC000424004287 252112922 /nfs/dbraw/zinc/11/29/22/252112922.db2.gz FDYIPKXHPORKPE-ROUUACIJSA-N 2 0 344.503 1.642 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424015349 252114283 /nfs/dbraw/zinc/11/42/83/252114283.db2.gz ZEHPLYPLHGINMS-FGTMMUONSA-N 2 0 327.403 1.821 20 0 EDADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424043881 252123348 /nfs/dbraw/zinc/12/33/48/252123348.db2.gz HYCUSLXQLQKOBH-RYQLBKOJSA-N 2 0 347.434 1.237 20 0 EDADRP COCC[C@@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000423793571 252078083 /nfs/dbraw/zinc/07/80/83/252078083.db2.gz XHIAFLXCRBAPHQ-IBGZPJMESA-N 2 0 346.475 1.430 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423804508 252083458 /nfs/dbraw/zinc/08/34/58/252083458.db2.gz YCJUISYAQNEMRL-DOTOQJQBSA-N 2 0 325.497 1.711 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000423839581 252086297 /nfs/dbraw/zinc/08/62/97/252086297.db2.gz KUVTWHQIQCSTQR-LJQANCHMSA-N 2 0 333.476 1.820 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424139535 252140684 /nfs/dbraw/zinc/14/06/84/252140684.db2.gz VNSYBXWYOKNTOK-CVEARBPZSA-N 2 0 348.495 1.445 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424142587 252142269 /nfs/dbraw/zinc/14/22/69/252142269.db2.gz YKXDJZPPYMLTDJ-CQSZACIVSA-N 2 0 333.480 1.822 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)[C@@H](C)C1 ZINC000424146401 252144168 /nfs/dbraw/zinc/14/41/68/252144168.db2.gz PPQHJEZFJWAMPF-DZKIICNBSA-N 2 0 334.468 1.005 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424217014 252165869 /nfs/dbraw/zinc/16/58/69/252165869.db2.gz KALBNIADJUPRAS-GBESFXJTSA-N 2 0 343.471 1.488 20 0 EDADRP COCc1ccccc1CNC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424302566 252192236 /nfs/dbraw/zinc/19/22/36/252192236.db2.gz ZXLVQUZVYBBWJH-INIZCTEOSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)cc1)CC[NH2+]CC2 ZINC000424291361 252192618 /nfs/dbraw/zinc/19/26/18/252192618.db2.gz NQQCJMXBQGNCGU-CQSZACIVSA-N 2 0 344.459 1.578 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000424428010 252224822 /nfs/dbraw/zinc/22/48/22/252224822.db2.gz RHRFEKPKSSOESO-CQSZACIVSA-N 2 0 334.464 1.763 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000341561400 284980401 /nfs/dbraw/zinc/98/04/01/284980401.db2.gz SLBRTEIUMZMBPK-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000424463565 252238397 /nfs/dbraw/zinc/23/83/97/252238397.db2.gz HPYOZTVEKDHMMJ-CYBMUJFWSA-N 2 0 330.432 1.159 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000424473562 252243920 /nfs/dbraw/zinc/24/39/20/252243920.db2.gz GXAKHNLAHUHFBI-KRWDZBQOSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000569715544 306517467 /nfs/dbraw/zinc/51/74/67/306517467.db2.gz NZGFPQYNQOKEPZ-HZPDHXFCSA-N 2 0 327.419 1.581 20 0 EDADRP Cc1cc(N2CCC([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)CC2)n[nH]1 ZINC000425898272 252313260 /nfs/dbraw/zinc/31/32/60/252313260.db2.gz YJEYLFOXRPOBMR-UHFFFAOYSA-N 2 0 344.463 1.932 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)C1C[NH2+]C1 ZINC000263107134 139322626 /nfs/dbraw/zinc/32/26/26/139322626.db2.gz AAQBWKPUPOMMRK-CQSZACIVSA-N 2 0 327.350 1.615 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000458370424 285023136 /nfs/dbraw/zinc/02/31/36/285023136.db2.gz PFHNWPYANGXLNH-AEFFLSMTSA-N 2 0 338.496 1.225 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000111832042 285033935 /nfs/dbraw/zinc/03/39/35/285033935.db2.gz BMMAWXUEZSTYCG-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111791030 285034476 /nfs/dbraw/zinc/03/44/76/285034476.db2.gz IUOCYHZRINLSRB-HNNXBMFYSA-N 2 0 340.512 1.706 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000347049593 285058340 /nfs/dbraw/zinc/05/83/40/285058340.db2.gz MYBQTPRCBPWUIB-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)[C@H](C)C1 ZINC000430798818 254514950 /nfs/dbraw/zinc/51/49/50/254514950.db2.gz VDUYTDOWXAPRGJ-CZUORRHYSA-N 2 0 348.495 1.313 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)nc1 ZINC000263651445 139350078 /nfs/dbraw/zinc/35/00/78/139350078.db2.gz CYMGJCYFNKBCDW-MRXNPFEDSA-N 2 0 349.479 1.970 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000457533581 254873232 /nfs/dbraw/zinc/87/32/32/254873232.db2.gz PHUDVXJKVSGCQD-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000415772095 304268015 /nfs/dbraw/zinc/26/80/15/304268015.db2.gz DYBVHMOEYJSHNE-CQSZACIVSA-N 2 0 334.464 1.711 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000487056443 255024436 /nfs/dbraw/zinc/02/44/36/255024436.db2.gz ITBZZZLCTGHIDU-SJORKVTESA-N 2 0 340.512 1.325 20 0 EDADRP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000488506661 255044949 /nfs/dbraw/zinc/04/49/49/255044949.db2.gz OPVBUQNBBDAHNV-LHHMISFZSA-N 2 0 331.464 1.439 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](C)C1 ZINC000355142398 285245646 /nfs/dbraw/zinc/24/56/46/285245646.db2.gz WESRBSMLKYBYKU-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@H](C)COC ZINC000360157688 285247919 /nfs/dbraw/zinc/24/79/19/285247919.db2.gz VUBCHIOWSZNABM-BRWVUGGUSA-N 2 0 327.513 1.780 20 0 EDADRP O=C(/C=C/c1ncc[nH]1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000493242061 255198794 /nfs/dbraw/zinc/19/87/94/255198794.db2.gz SXYNCHKUQUBJCG-SNAWJCMRSA-N 2 0 332.448 1.822 20 0 EDADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000496130389 255356412 /nfs/dbraw/zinc/35/64/12/255356412.db2.gz SXWWROCTJMJGRI-KBPBESRZSA-N 2 0 341.500 1.745 20 0 EDADRP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860427 255333091 /nfs/dbraw/zinc/33/30/91/255333091.db2.gz ZTAVJVIZDYGXPL-HKUYNNGSSA-N 2 0 349.475 1.752 20 0 EDADRP COC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452039852 285267573 /nfs/dbraw/zinc/26/75/73/285267573.db2.gz PJEDUJGQRDEIPN-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496264130 255372309 /nfs/dbraw/zinc/37/23/09/255372309.db2.gz NPNFMWOUAIPZOL-BQFCYCMXSA-N 2 0 349.475 1.858 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415799231 304273852 /nfs/dbraw/zinc/27/38/52/304273852.db2.gz DAUNGVYRQNVBOK-ILXRZTDVSA-N 2 0 346.475 1.709 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000415812392 304276962 /nfs/dbraw/zinc/27/69/62/304276962.db2.gz DDRIUYQCLSJSRC-WBVHZDCISA-N 2 0 344.459 1.287 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)c1 ZINC000415825795 304277968 /nfs/dbraw/zinc/27/79/68/304277968.db2.gz BCNKBVHRTPKWFP-BBRMVZONSA-N 2 0 332.448 1.273 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC[C@@H](C)C[C@H]2C)C1 ZINC000119238401 221274641 /nfs/dbraw/zinc/27/46/41/221274641.db2.gz CZEXFJJYHZPLSJ-BRSBDYLESA-N 2 0 339.524 1.874 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCC[NH2+]2)CCOCC1)c1ccccc1 ZINC000168965199 533328745 /nfs/dbraw/zinc/32/87/45/533328745.db2.gz DHKHTOOKYMWJHP-NVXWUHKLSA-N 2 0 331.460 1.755 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571522079 306567414 /nfs/dbraw/zinc/56/74/14/306567414.db2.gz FBPIFGAVGWTEPL-DLBZAZTESA-N 2 0 345.491 1.658 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000270231153 140063970 /nfs/dbraw/zinc/06/39/70/140063970.db2.gz ANJQPESELHIIQF-OKZBNKHCSA-N 2 0 346.475 1.452 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271246319 140263233 /nfs/dbraw/zinc/26/32/33/140263233.db2.gz CJQWMHHGYDAWSC-SFTDATJTSA-N 2 0 342.531 1.973 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271384993 140288655 /nfs/dbraw/zinc/28/86/55/140288655.db2.gz KFLRQRFORIZUKV-INIZCTEOSA-N 2 0 346.475 1.383 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C[C@H](C)O)CC1 ZINC000331318445 141007218 /nfs/dbraw/zinc/00/72/18/141007218.db2.gz KDZSAJLATWNKKP-RDJZCZTQSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331475825 141035505 /nfs/dbraw/zinc/03/55/05/141035505.db2.gz IUBYKNZCANHEEO-DYVFJYSZSA-N 2 0 337.489 1.509 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000333166689 141274887 /nfs/dbraw/zinc/27/48/87/141274887.db2.gz HMAUMAYIWNNYLV-IMBTUZDBSA-N 2 0 335.492 1.511 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333358954 141305212 /nfs/dbraw/zinc/30/52/12/141305212.db2.gz CONWGXADUCGCLD-YESZJQIVSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000333720019 141365479 /nfs/dbraw/zinc/36/54/79/141365479.db2.gz GLUXYONMMOWBBH-JFIYKMOQSA-N 2 0 345.491 1.858 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333801681 141384418 /nfs/dbraw/zinc/38/44/18/141384418.db2.gz HVYLTSOGOBZJMV-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)([NH+](C)C)C1 ZINC000333855611 141395231 /nfs/dbraw/zinc/39/52/31/141395231.db2.gz YFBDYDPFZRQSMX-VYDXJSESSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)[C@H]1C ZINC000339572279 142080661 /nfs/dbraw/zinc/08/06/61/142080661.db2.gz CYHYQSFMNFFDTC-HOTGVXAUSA-N 2 0 343.471 1.606 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000340081210 142259869 /nfs/dbraw/zinc/25/98/69/142259869.db2.gz CAXYZJIECVDUFO-YGRLFVJLSA-N 2 0 328.254 1.595 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000340118040 142271463 /nfs/dbraw/zinc/27/14/63/142271463.db2.gz XBNONLMWKWKYFV-HKUYNNGSSA-N 2 0 344.503 1.690 20 0 EDADRP C[C@H]([NH3+])CC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000340183493 142295293 /nfs/dbraw/zinc/29/52/93/142295293.db2.gz LDXJNNRTYRINJV-INIZCTEOSA-N 2 0 333.476 1.911 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000340248000 142318524 /nfs/dbraw/zinc/31/85/24/142318524.db2.gz BDIMFDQZLAELLG-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CN1CC[C@@H]([NH2+]CCCn2cc(CO)nn2)C[C@H]1c1ccccc1 ZINC000340400087 142377458 /nfs/dbraw/zinc/37/74/58/142377458.db2.gz JCTUTBQKEQFYBU-AEFFLSMTSA-N 2 0 329.448 1.586 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)[C@H]1CCSC1 ZINC000345069461 143046566 /nfs/dbraw/zinc/04/65/66/143046566.db2.gz RJKPXZIWRSDELO-LZLYRXPVSA-N 2 0 333.501 1.985 20 0 EDADRP COC1(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000166049327 292093123 /nfs/dbraw/zinc/09/31/23/292093123.db2.gz FLYPJHCYQAUVEL-HUUCEWRRSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000345182603 143061859 /nfs/dbraw/zinc/06/18/59/143061859.db2.gz JXYDBFFAGJMAOJ-JKSUJKDBSA-N 2 0 340.512 1.010 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000345307209 143075976 /nfs/dbraw/zinc/07/59/76/143075976.db2.gz MABZJUAWBZWQCG-IRXDYDNUSA-N 2 0 347.507 1.679 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1[NH+](C)C ZINC000345612540 143112028 /nfs/dbraw/zinc/11/20/28/143112028.db2.gz PIQPMINKFWSNOE-SJORKVTESA-N 2 0 345.491 1.002 20 0 EDADRP CC[C@@H](C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)[NH+](CC)CC ZINC000345712889 143124634 /nfs/dbraw/zinc/12/46/34/143124634.db2.gz HMNBPANVRFCSAJ-SFHVURJKSA-N 2 0 338.540 1.782 20 0 EDADRP CCOCC[NH+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346139170 143171645 /nfs/dbraw/zinc/17/16/45/143171645.db2.gz KQPXLEQEILUDKG-UHFFFAOYSA-N 2 0 329.448 1.730 20 0 EDADRP C[C@H](C[NH+]1CCCC[C@H]1CC(N)=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000346645277 143225827 /nfs/dbraw/zinc/22/58/27/143225827.db2.gz PERFRLIKWIXMRE-MUJYYYPQSA-N 2 0 338.496 1.082 20 0 EDADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000346693349 143232550 /nfs/dbraw/zinc/23/25/50/143232550.db2.gz MLFXDEXYWMKWGF-NVXWUHKLSA-N 2 0 347.507 1.718 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C2CCN(Cc3nccn3C)CC2)CC1 ZINC000346732535 143239131 /nfs/dbraw/zinc/23/91/31/143239131.db2.gz SBPYFXMPIDTBTJ-UHFFFAOYSA-N 2 0 333.480 1.186 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347015458 143271623 /nfs/dbraw/zinc/27/16/23/143271623.db2.gz JKGDNKCOWKMDNT-ZDUSSCGKSA-N 2 0 347.488 1.560 20 0 EDADRP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)s1 ZINC000347216188 143296027 /nfs/dbraw/zinc/29/60/27/143296027.db2.gz RDIMURPYUKHBDL-ZDUSSCGKSA-N 2 0 339.509 1.276 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000350919067 143558602 /nfs/dbraw/zinc/55/86/02/143558602.db2.gz NCUAKOIQMNZLNY-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000572847796 306601034 /nfs/dbraw/zinc/60/10/34/306601034.db2.gz RSVKPXTULJBCSA-BQFCYCMXSA-N 3 0 327.513 1.168 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[C@H](C)C1 ZINC000417666595 286058559 /nfs/dbraw/zinc/05/85/59/286058559.db2.gz DJYDWBWGZPRTCH-FXUDXRNXSA-N 2 0 326.485 1.255 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCN2CCOCC2)[C@H](C)C1 ZINC000358173080 286063705 /nfs/dbraw/zinc/06/37/05/286063705.db2.gz UWRUWFXEOKWRKY-QYZOEREBSA-N 2 0 341.540 1.824 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@H]2C)CC1 ZINC000352572313 149068601 /nfs/dbraw/zinc/06/86/01/149068601.db2.gz GNXNFACDDSEPAB-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000573442704 306621427 /nfs/dbraw/zinc/62/14/27/306621427.db2.gz OPXISHLFBWWTMC-LJQANCHMSA-N 2 0 338.455 1.859 20 0 EDADRP [NH3+]CCN(CCO)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000416900423 304354580 /nfs/dbraw/zinc/35/45/80/304354580.db2.gz IPNJTPJIBURBSO-UHFFFAOYSA-N 2 0 334.464 1.135 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000353098362 149286264 /nfs/dbraw/zinc/28/62/64/149286264.db2.gz QGJXBJKFLYGLGL-OAHLLOKOSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416964214 304356432 /nfs/dbraw/zinc/35/64/32/304356432.db2.gz CAAQQZYFKXEIIQ-BZUAXINKSA-N 2 0 348.491 1.784 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000416969579 304357512 /nfs/dbraw/zinc/35/75/12/304357512.db2.gz BWUDKNAIAAFMNY-APWZRJJASA-N 2 0 342.487 1.963 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416973791 304358638 /nfs/dbraw/zinc/35/86/38/304358638.db2.gz VQTVEVVZNAKBKK-ZBFHGGJFSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)C[C@@H](C)O1 ZINC000416974949 304359027 /nfs/dbraw/zinc/35/90/27/304359027.db2.gz YFNPILBEECCAOF-HUUCEWRRSA-N 2 0 348.491 1.832 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000416977110 304359619 /nfs/dbraw/zinc/35/96/19/304359619.db2.gz SFYVCPUPPNZJKG-WBVHZDCISA-N 2 0 348.491 1.944 20 0 EDADRP CN1CC[NH+](C2(C(=O)NCCC3CC[NH+](C)CC3)CCCC2)CC1 ZINC000369951958 155250628 /nfs/dbraw/zinc/25/06/28/155250628.db2.gz QIYLPTFBSZCGJQ-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000416980136 304360601 /nfs/dbraw/zinc/36/06/01/304360601.db2.gz YEJADOXPZNXUFS-QGZVFWFLSA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N(C)[C@H](C)C[NH3+])CC1 ZINC000416986220 304361947 /nfs/dbraw/zinc/36/19/47/304361947.db2.gz IYHAGGPITSEFKT-MRXNPFEDSA-N 2 0 347.507 1.313 20 0 EDADRP CC[C@H](C)[C@@H](OC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000355451432 150273361 /nfs/dbraw/zinc/27/33/61/150273361.db2.gz YFRAHFPNDGLOII-YESZJQIVSA-N 2 0 327.513 1.922 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417030075 304362562 /nfs/dbraw/zinc/36/25/62/304362562.db2.gz WCAFZHVRJXUHNL-KRWDZBQOSA-N 2 0 347.507 1.101 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417036342 304363947 /nfs/dbraw/zinc/36/39/47/304363947.db2.gz HPJJYXHGRUTXDP-DLBZAZTESA-N 2 0 339.528 1.221 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000417044035 304365480 /nfs/dbraw/zinc/36/54/80/304365480.db2.gz MLDZLEHJZNOQIH-OWCLPIDISA-N 2 0 326.485 1.114 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000417068382 304368912 /nfs/dbraw/zinc/36/89/12/304368912.db2.gz JMUKJYILIOUJAL-PBHICJAKSA-N 2 0 334.508 1.890 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000357709954 151121880 /nfs/dbraw/zinc/12/18/80/151121880.db2.gz RZFRSZFJRVLQRK-ZWKOTPCHSA-N 2 0 337.508 1.822 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000357913469 151193005 /nfs/dbraw/zinc/19/30/05/151193005.db2.gz NRRDVANLHKWVET-ZIAGYGMSSA-N 2 0 333.567 1.565 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1=CC[N@H+](C)CC1 ZINC000358107708 151273312 /nfs/dbraw/zinc/27/33/12/151273312.db2.gz ZMABRWCWMMYPHB-NVXWUHKLSA-N 2 0 338.496 1.389 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358149358 151288225 /nfs/dbraw/zinc/28/82/25/151288225.db2.gz ZAKWGBPDGASTMS-JKSUJKDBSA-N 2 0 342.528 1.593 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)N1CCc2sccc2C1 ZINC000417121827 304374685 /nfs/dbraw/zinc/37/46/85/304374685.db2.gz XGEIPUAZHMYRFK-CYBMUJFWSA-N 2 0 336.505 1.888 20 0 EDADRP CC[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[NH2+]C1 ZINC000360469078 152056678 /nfs/dbraw/zinc/05/66/78/152056678.db2.gz YOCQKLCAVSSZLU-QFBILLFUSA-N 2 0 345.443 1.924 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360572596 152103870 /nfs/dbraw/zinc/10/38/70/152103870.db2.gz XOZLTMWVXDQLBP-LJQANCHMSA-N 2 0 327.428 1.748 20 0 EDADRP C[C@@H]([C@@H]1CN(Cc2ccccc2)CCO1)N(C)C(=O)/C=C/C[NH+](C)C ZINC000361107522 152307975 /nfs/dbraw/zinc/30/79/75/152307975.db2.gz QADBSOYETXOUDF-XCUKTARSSA-N 2 0 345.487 1.852 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264648 152348553 /nfs/dbraw/zinc/34/85/53/152348553.db2.gz JJSYXJRMIPNLFA-UONOGXRCSA-N 2 0 342.447 1.549 20 0 EDADRP CCC[C@H]([NH3+])C(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370161000 155356609 /nfs/dbraw/zinc/35/66/09/155356609.db2.gz KJDZUTQOZDEWEW-GJZGRUSLSA-N 2 0 333.480 1.501 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000417164402 304379810 /nfs/dbraw/zinc/37/98/10/304379810.db2.gz UNOVSXUDPYQHLC-KRWDZBQOSA-N 2 0 334.439 1.827 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000417182802 304381367 /nfs/dbraw/zinc/38/13/67/304381367.db2.gz JKHFTINXFUHDAP-QZTJIDSGSA-N 2 0 332.492 1.976 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000364176633 153163698 /nfs/dbraw/zinc/16/36/98/153163698.db2.gz XFUHEGQKAXRSOD-IXDOHACOSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000364249814 153186438 /nfs/dbraw/zinc/18/64/38/153186438.db2.gz MCHYVCOKMNIQBG-XHSDSOJGSA-N 2 0 325.497 1.770 20 0 EDADRP COCC[C@@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC[NH2+]C1 ZINC000364869733 153357032 /nfs/dbraw/zinc/35/70/32/153357032.db2.gz RJLUANADGSMPHP-SFHVURJKSA-N 2 0 341.496 1.008 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417243179 304387403 /nfs/dbraw/zinc/38/74/03/304387403.db2.gz VGNWLMMMJFLUNU-QGZVFWFLSA-N 2 0 333.480 1.592 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000417297164 304390208 /nfs/dbraw/zinc/39/02/08/304390208.db2.gz NSHVOYUQAWGGSC-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000367773042 154262895 /nfs/dbraw/zinc/26/28/95/154262895.db2.gz SEWSYISYEMEDSE-QZTJIDSGSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326562 304392111 /nfs/dbraw/zinc/39/21/11/304392111.db2.gz KIXIOTJAQLDPFC-CVEARBPZSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417340341 304392782 /nfs/dbraw/zinc/39/27/82/304392782.db2.gz MEJCGGUGZRKAQU-BEFAXECRSA-N 2 0 342.487 1.969 20 0 EDADRP O[C@H](COc1ccc(F)cc1)CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369598553 155104225 /nfs/dbraw/zinc/10/42/25/155104225.db2.gz ABNTYPQLEDSOOL-IWKCEXAMSA-N 2 0 334.435 1.982 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@@H]([NH3+])C2)cc1 ZINC000417478678 304399037 /nfs/dbraw/zinc/39/90/37/304399037.db2.gz IYKQTPOYTUAPSE-MRXNPFEDSA-N 2 0 334.464 1.650 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000371650715 156045606 /nfs/dbraw/zinc/04/56/06/156045606.db2.gz TZDOIVSUMMGOGJ-LZLYRXPVSA-N 2 0 347.507 1.931 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000348912489 292333651 /nfs/dbraw/zinc/33/36/51/292333651.db2.gz PHOVZMNKPAYGJG-UHFFFAOYSA-N 2 0 333.476 1.519 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000371775372 156100644 /nfs/dbraw/zinc/10/06/44/156100644.db2.gz XXQNTRSFLNRGRR-MKXGPGLRSA-N 2 0 343.471 1.344 20 0 EDADRP CC1(C)CN(CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCO1 ZINC000371884585 156150191 /nfs/dbraw/zinc/15/01/91/156150191.db2.gz SKWQXMVYWLZKFV-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)[C@]1(C(=O)N2CCN(Cc3ccccn3)CC2)CCCSC1 ZINC000372254094 156289474 /nfs/dbraw/zinc/28/94/74/156289474.db2.gz DGEOIWXSBPPXGH-GOSISDBHSA-N 2 0 348.516 1.553 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000575073481 306664435 /nfs/dbraw/zinc/66/44/35/306664435.db2.gz DANGQUJRRWGPPT-RDJZCZTQSA-N 2 0 332.448 1.493 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCc1ncnn1CCF ZINC000374134501 157157463 /nfs/dbraw/zinc/15/74/63/157157463.db2.gz BNGVYOTXJGVFNO-ILXRZTDVSA-N 2 0 325.432 1.227 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000378185148 158103249 /nfs/dbraw/zinc/10/32/49/158103249.db2.gz RKYFAQSTJOUWHU-RNONSGAXSA-N 2 0 343.537 1.651 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378203416 158107567 /nfs/dbraw/zinc/10/75/67/158107567.db2.gz QURZIYYAGPLXNO-DLBZAZTESA-N 2 0 338.540 1.816 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@H]2C[C@H]3CCCC[NH+]3C2)CC[N@@H+]1CCOC ZINC000378354661 158148725 /nfs/dbraw/zinc/14/87/25/158148725.db2.gz HQMLESLXHRGPOT-RCCFBDPRSA-N 2 0 337.508 1.820 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000352148412 162012461 /nfs/dbraw/zinc/01/24/61/162012461.db2.gz LIDLKSBFMICCQT-RBUKOAKNSA-N 2 0 342.487 1.015 20 0 EDADRP C[NH+](C[C@H](O)CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000352365282 162142520 /nfs/dbraw/zinc/14/25/20/162142520.db2.gz PVDLFSSGKKIVFL-HKUYNNGSSA-N 2 0 332.492 1.290 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000352402589 162165067 /nfs/dbraw/zinc/16/50/67/162165067.db2.gz WDHHAGGERQVZTP-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000363064133 162312401 /nfs/dbraw/zinc/31/24/01/162312401.db2.gz SZSFMBJVXLWCSU-UHFFFAOYSA-N 2 0 349.475 1.421 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)cc1 ZINC000418053123 304451727 /nfs/dbraw/zinc/45/17/27/304451727.db2.gz BJWKMGPSISNFDP-AWEZNQCLSA-N 2 0 328.407 1.572 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418168899 304458480 /nfs/dbraw/zinc/45/84/80/304458480.db2.gz MMKUCZIBTGGVNJ-CQSZACIVSA-N 2 0 334.464 1.648 20 0 EDADRP CCC[C@H](C(=O)OCC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000077275149 287287349 /nfs/dbraw/zinc/28/73/49/287287349.db2.gz NFTDPZGVARGAHO-OAHLLOKOSA-N 2 0 327.469 1.108 20 0 EDADRP COC(=O)CCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121588032 287372686 /nfs/dbraw/zinc/37/26/86/287372686.db2.gz ORTRGMZLLFAZDH-UHFFFAOYSA-N 2 0 339.480 1.254 20 0 EDADRP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC1CCOCC1 ZINC000122144654 287377671 /nfs/dbraw/zinc/37/76/71/287377671.db2.gz HTOHOHTZHZNYRC-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873253 287375671 /nfs/dbraw/zinc/37/56/71/287375671.db2.gz ASCYOFWKKCCVHA-HNNXBMFYSA-N 2 0 336.484 1.608 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375701 304487846 /nfs/dbraw/zinc/48/78/46/304487846.db2.gz HULLSRPOJDNNRF-DLBZAZTESA-N 2 0 340.512 1.286 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394987 304490902 /nfs/dbraw/zinc/49/09/02/304490902.db2.gz YFKNFBDHPFOVNP-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000193524829 272995217 /nfs/dbraw/zinc/99/52/17/272995217.db2.gz TUUZHHIWHRZULN-IEBWSBKVSA-N 2 0 344.503 1.846 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000655680199 452507064 /nfs/dbraw/zinc/50/70/64/452507064.db2.gz JOKXMGHTACDUCW-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000273293427 268017258 /nfs/dbraw/zinc/01/72/58/268017258.db2.gz YODLKFBDWBPWHN-CQSZACIVSA-N 2 0 334.464 1.906 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275537138 268356762 /nfs/dbraw/zinc/35/67/62/268356762.db2.gz YBWDXQUAKCVWJZ-OAHLLOKOSA-N 2 0 348.491 1.576 20 0 EDADRP Cc1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnn1-c1ccccc1 ZINC000103211158 272918730 /nfs/dbraw/zinc/91/87/30/272918730.db2.gz LFQJUWBWWNHTLL-UHFFFAOYSA-N 2 0 343.475 1.746 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000277422361 273195109 /nfs/dbraw/zinc/19/51/09/273195109.db2.gz AWLCGMIAFZJONO-CQSZACIVSA-N 2 0 337.439 1.913 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C3CCN(C=O)CC3)cc2)CC1 ZINC000278170884 273251629 /nfs/dbraw/zinc/25/16/29/273251629.db2.gz CKSVXKKLRVZLLC-UHFFFAOYSA-N 2 0 330.476 1.144 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000280763961 273395422 /nfs/dbraw/zinc/39/54/22/273395422.db2.gz DRIXPSJHGPYACI-OAHLLOKOSA-N 2 0 331.439 1.737 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@H+](C)C1 ZINC000284702221 274299813 /nfs/dbraw/zinc/29/98/13/274299813.db2.gz JWQKFBBGOTVTBB-IRXDYDNUSA-N 2 0 334.464 1.931 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)c2ccc3c[nH+]cn3c2)ccn1 ZINC000285772222 274644699 /nfs/dbraw/zinc/64/46/99/274644699.db2.gz WFSHNQXGWPCHLV-UHFFFAOYSA-N 2 0 339.399 1.600 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[NH+](C)C)cc1 ZINC000123917206 274760082 /nfs/dbraw/zinc/76/00/82/274760082.db2.gz APGAQCJKBRQJKZ-FUHWJXTLSA-N 2 0 336.480 1.210 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000249188561 287792448 /nfs/dbraw/zinc/79/24/48/287792448.db2.gz MHYZMRPBYRRMGQ-IPMKNSEASA-N 2 0 340.508 1.786 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000341192892 275794699 /nfs/dbraw/zinc/79/46/99/275794699.db2.gz QGWLVIAZTWCGFU-GOSISDBHSA-N 2 0 349.475 1.658 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000352157863 276044216 /nfs/dbraw/zinc/04/42/16/276044216.db2.gz ZRQUMVPTNWETLD-HOTGVXAUSA-N 2 0 340.512 1.212 20 0 EDADRP C[C@@H](CNC(=O)NCC1(C)CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655964876 452746400 /nfs/dbraw/zinc/74/64/00/452746400.db2.gz HWSRQIVJRGCNIQ-SOUVJXGZSA-N 2 0 326.485 1.173 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC[S@@](C)=O)CC1 ZINC000180138324 276930782 /nfs/dbraw/zinc/93/07/82/276930782.db2.gz DEWIZIJPFBDBKB-JOCHJYFZSA-N 2 0 343.924 1.950 20 0 EDADRP C[N@@H+]([C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371473190 277001959 /nfs/dbraw/zinc/00/19/59/277001959.db2.gz LXBJHDKPZBSEGF-SXLOBPIMSA-N 2 0 329.488 1.745 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)C2)CC1 ZINC000262783926 277034420 /nfs/dbraw/zinc/03/44/20/277034420.db2.gz NQMKFKDKCGEXEA-DLBZAZTESA-N 2 0 345.491 1.612 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385707 277068597 /nfs/dbraw/zinc/06/85/97/277068597.db2.gz UGTMEIBOZSPWGK-RKVPGOIHSA-N 2 0 341.496 1.678 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000262188009 277104887 /nfs/dbraw/zinc/10/48/87/277104887.db2.gz TWNMSRLKWAQYNU-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000262636352 277105456 /nfs/dbraw/zinc/10/54/56/277105456.db2.gz HTWNMLOGOLBNNJ-ROUUACIJSA-N 2 0 330.476 1.091 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000111834923 277222797 /nfs/dbraw/zinc/22/27/97/277222797.db2.gz ORZVFURPPANZTL-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000262940100 277279048 /nfs/dbraw/zinc/27/90/48/277279048.db2.gz UKADVRMNMZQHNT-MAUKXSAKSA-N 2 0 333.476 1.899 20 0 EDADRP COC(=O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000249352098 277325504 /nfs/dbraw/zinc/32/55/04/277325504.db2.gz QDNIIQJTBONPAA-IRXDYDNUSA-N 2 0 347.459 1.433 20 0 EDADRP COC(C)(C)[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000340236508 277459497 /nfs/dbraw/zinc/45/94/97/277459497.db2.gz QSZFBQJKGHVWFM-MRXNPFEDSA-N 2 0 335.496 1.782 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000418426753 277481306 /nfs/dbraw/zinc/48/13/06/277481306.db2.gz MQLFUIVLFDJSST-GDBMZVCRSA-N 2 0 328.501 1.094 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000272754161 278228794 /nfs/dbraw/zinc/22/87/94/278228794.db2.gz JJRPDFSQIXKSPJ-MAUKXSAKSA-N 2 0 348.491 1.393 20 0 EDADRP Cc1nn(-c2ccccn2)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000286568753 288036605 /nfs/dbraw/zinc/03/66/05/288036605.db2.gz PLCAJOISENPWSY-UHFFFAOYSA-N 2 0 349.866 1.775 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000352213434 279108465 /nfs/dbraw/zinc/10/84/65/279108465.db2.gz HUEAAIJJNFSGQD-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000352267314 279112197 /nfs/dbraw/zinc/11/21/97/279112197.db2.gz SKZAYNHLKBTGSE-INIZCTEOSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000286875194 288109585 /nfs/dbraw/zinc/10/95/85/288109585.db2.gz DTRBHCVXNWMMQR-KBPBESRZSA-N 2 0 334.464 1.046 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078425 279260519 /nfs/dbraw/zinc/26/05/19/279260519.db2.gz VVMVWRGSSCEZMS-NVXWUHKLSA-N 2 0 334.464 1.314 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C)nc1C ZINC000271932593 279329446 /nfs/dbraw/zinc/32/94/46/279329446.db2.gz LFIHOVVDOBMJTF-INIZCTEOSA-N 2 0 333.480 1.582 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000174203985 279333709 /nfs/dbraw/zinc/33/37/09/279333709.db2.gz FHJPAXVXBHDNDQ-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343862328 279361766 /nfs/dbraw/zinc/36/17/66/279361766.db2.gz OHVMDSCXDMCZHB-ZACQAIPSSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000287080771 288151938 /nfs/dbraw/zinc/15/19/38/288151938.db2.gz KOWZZDYILMSWRL-WBVHZDCISA-N 2 0 327.432 1.845 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116596 288162595 /nfs/dbraw/zinc/16/25/95/288162595.db2.gz QOQOBYJNRJBYMV-NVXWUHKLSA-N 2 0 334.464 1.487 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000365341445 288193338 /nfs/dbraw/zinc/19/33/38/288193338.db2.gz WWMMGCGYCKJRJB-QZWWFDLISA-N 2 0 338.496 1.221 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000345476117 280248347 /nfs/dbraw/zinc/24/83/47/280248347.db2.gz GAIDQFLBAXNOCY-ULQDDVLXSA-N 2 0 339.528 1.040 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000358869439 280365670 /nfs/dbraw/zinc/36/56/70/280365670.db2.gz XQOLKLYOJZLQDY-XYPHTWIQSA-N 2 0 337.439 1.172 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375007 288296517 /nfs/dbraw/zinc/29/65/17/288296517.db2.gz DCZCAVNEJBLMFT-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000357606156 282017521 /nfs/dbraw/zinc/01/75/21/282017521.db2.gz LHPCJWVSJSWFLJ-HZPDHXFCSA-N 2 0 338.540 1.780 20 0 EDADRP C[NH+](C)C1(CN[C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789035 282045029 /nfs/dbraw/zinc/04/50/29/282045029.db2.gz SWJWYGKQYNCHCX-XUVXKRRUSA-N 2 0 343.515 1.832 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(CC3CC[NH+](C)CC3)n2)ccn1 ZINC000290051885 288829553 /nfs/dbraw/zinc/82/95/53/288829553.db2.gz JUOCKLOAIDHONA-UHFFFAOYSA-N 2 0 345.447 1.956 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000290358611 288886063 /nfs/dbraw/zinc/88/60/63/288886063.db2.gz JIBWANYTYYTJBD-QZTJIDSGSA-N 2 0 329.488 1.836 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732976 289164488 /nfs/dbraw/zinc/16/44/88/289164488.db2.gz JRDGQKPGZIQKRY-PMACEKPBSA-N 2 0 332.488 1.759 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCSC1 ZINC000458526768 289341572 /nfs/dbraw/zinc/34/15/72/289341572.db2.gz WMTBGPJENBCYGL-DLBZAZTESA-N 2 0 340.537 1.551 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000340504072 290219780 /nfs/dbraw/zinc/21/97/80/290219780.db2.gz GOAZLZYOKQKJPG-JSXRDJHFSA-N 2 0 343.515 1.868 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)F ZINC000418701257 295238442 /nfs/dbraw/zinc/23/84/42/295238442.db2.gz ADQGBBBFRZEXOT-XBFCOCLRSA-N 2 0 330.423 1.627 20 0 EDADRP COCC[NH2+]CCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000418510328 304506171 /nfs/dbraw/zinc/50/61/71/304506171.db2.gz PLPIYOGBXKATJA-UHFFFAOYSA-N 2 0 328.501 1.566 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)C1 ZINC000418554180 304512494 /nfs/dbraw/zinc/51/24/94/304512494.db2.gz IFZSNPNWZJNDPZ-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000419271967 304585333 /nfs/dbraw/zinc/58/53/33/304585333.db2.gz UHNHFDZBFNEBNB-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419641160 304648373 /nfs/dbraw/zinc/64/83/73/304648373.db2.gz KZBDBCLLZYLXOJ-WMLDXEAASA-N 2 0 346.475 1.093 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000419642830 304648690 /nfs/dbraw/zinc/64/86/90/304648690.db2.gz GDRNCFYYZNGCRZ-GOEBONIOSA-N 2 0 348.491 1.332 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417734339 300324580 /nfs/dbraw/zinc/32/45/80/300324580.db2.gz KDANBSZHNCBPIU-YOEHRIQHSA-N 2 0 330.476 1.383 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419724203 304672433 /nfs/dbraw/zinc/67/24/33/304672433.db2.gz PULOVRMDWHJKND-AWEZNQCLSA-N 2 0 338.496 1.012 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CCCCC1 ZINC000419809082 304688000 /nfs/dbraw/zinc/68/80/00/304688000.db2.gz HDZFWUCCDMDICH-HUUCEWRRSA-N 2 0 338.496 1.001 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)Cc1cc(Cl)ccc1F ZINC000420464262 304761312 /nfs/dbraw/zinc/76/13/12/304761312.db2.gz XJSHMTDGLJFIDC-UHFFFAOYSA-N 2 0 337.848 1.309 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976639 453293914 /nfs/dbraw/zinc/29/39/14/453293914.db2.gz MGWMIPFVHXOLOY-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000372865500 447325680 /nfs/dbraw/zinc/32/56/80/447325680.db2.gz IHVUDPVYDXMQHQ-QGZVFWFLSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[N@H+]1C ZINC000293926892 303039634 /nfs/dbraw/zinc/03/96/34/303039634.db2.gz HOLCXNFDMNCLJA-HDICACEKSA-N 2 0 344.503 1.750 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000294902869 303153550 /nfs/dbraw/zinc/15/35/50/303153550.db2.gz FRGNJXBCKQCUBP-NSISKUIASA-N 2 0 331.504 1.726 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000297427435 303397983 /nfs/dbraw/zinc/39/79/83/303397983.db2.gz HXFFIGQFHRXPCZ-INIZCTEOSA-N 2 0 343.431 1.198 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000414865869 447334944 /nfs/dbraw/zinc/33/49/44/447334944.db2.gz ZVGZINPRNPPOII-HOCLYGCPSA-N 2 0 349.475 1.688 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422707686 304879159 /nfs/dbraw/zinc/87/91/59/304879159.db2.gz WYJBLQVCJPGSFQ-SUHUHFCYSA-N 2 0 326.824 1.953 20 0 EDADRP C[C@@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422914448 304879888 /nfs/dbraw/zinc/87/98/88/304879888.db2.gz UGQLCYOQTDTZHG-CRAIPNDOSA-N 2 0 332.492 1.598 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423148262 304888582 /nfs/dbraw/zinc/88/85/82/304888582.db2.gz FOXCDIYMDAEERJ-HOCLYGCPSA-N 2 0 325.478 1.544 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423148263 304888598 /nfs/dbraw/zinc/88/85/98/304888598.db2.gz FOXCDIYMDAEERJ-ZBFHGGJFSA-N 2 0 325.478 1.544 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423313656 304892208 /nfs/dbraw/zinc/89/22/08/304892208.db2.gz XDLLEEUQHOZZCO-KRWDZBQOSA-N 2 0 333.480 1.804 20 0 EDADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)CC2 ZINC000423424928 304895430 /nfs/dbraw/zinc/89/54/30/304895430.db2.gz LXNWFZJWMDUFKF-IACUBPJLSA-N 2 0 325.250 1.915 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000423746734 304907739 /nfs/dbraw/zinc/90/77/39/304907739.db2.gz RKPLVSDYYUKVQN-ZWKOTPCHSA-N 2 0 348.466 1.106 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000423894652 304914141 /nfs/dbraw/zinc/91/41/41/304914141.db2.gz LZLJIVABABWLNE-FUHWJXTLSA-N 2 0 331.460 1.948 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000424453639 304930065 /nfs/dbraw/zinc/93/00/65/304930065.db2.gz KOSBPLLZALUIMC-HNNXBMFYSA-N 2 0 344.459 1.337 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000414895917 447347880 /nfs/dbraw/zinc/34/78/80/447347880.db2.gz NVDODSJGXGLMNO-MRXNPFEDSA-N 2 0 344.459 1.418 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414897443 447347230 /nfs/dbraw/zinc/34/72/30/447347230.db2.gz BNEZYYOFAMKWSL-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000425485117 304965714 /nfs/dbraw/zinc/96/57/14/304965714.db2.gz XMRMQOUINCPOJU-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000429106953 305023986 /nfs/dbraw/zinc/02/39/86/305023986.db2.gz NVFWWGPAYRPTIG-SFHVURJKSA-N 2 0 344.503 1.705 20 0 EDADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC(C[NH3+])CC2)c1OC ZINC000430615077 305059100 /nfs/dbraw/zinc/05/91/00/305059100.db2.gz AXTQXXOUCZAESS-UHFFFAOYSA-N 2 0 335.448 1.333 20 0 EDADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430633087 305060376 /nfs/dbraw/zinc/06/03/76/305060376.db2.gz BIIBJPUTPIFQCQ-HOTGVXAUSA-N 2 0 346.475 1.215 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C[C@H]2CCCO2)[C@H](C)C1 ZINC000430702928 305062922 /nfs/dbraw/zinc/06/29/22/305062922.db2.gz DEXMIPLHERFDDO-ZACQAIPSSA-N 2 0 341.496 1.008 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842589 305065784 /nfs/dbraw/zinc/06/57/84/305065784.db2.gz USUXCHLLTZCIGO-PKOBYXMFSA-N 2 0 331.460 1.393 20 0 EDADRP Cc1c(C(=O)NCC2([NH+](C)C)CCCC2)nnn1C1CC[NH2+]CC1 ZINC000430859262 305066275 /nfs/dbraw/zinc/06/62/75/305066275.db2.gz VAJJBXHHGGYDNS-UHFFFAOYSA-N 2 0 334.468 1.115 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000431027702 305073153 /nfs/dbraw/zinc/07/31/53/305073153.db2.gz XVNQDDSMIUHSOQ-UHFFFAOYSA-N 2 0 334.464 1.236 20 0 EDADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)C[NH3+])CC1 ZINC000431036272 305073344 /nfs/dbraw/zinc/07/33/44/305073344.db2.gz VYHQTESMQKRGEB-UHFFFAOYSA-N 2 0 330.354 1.032 20 0 EDADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431037732 305073433 /nfs/dbraw/zinc/07/34/33/305073433.db2.gz PKLDXJCBUKARLQ-OAHLLOKOSA-N 2 0 331.460 1.775 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000431039797 305073488 /nfs/dbraw/zinc/07/34/88/305073488.db2.gz YBIYQEYUERCBNJ-KRWDZBQOSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431044974 305073642 /nfs/dbraw/zinc/07/36/42/305073642.db2.gz ZGEPFRHDHSYJPJ-CQSZACIVSA-N 2 0 342.443 1.436 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CC3CCC2CC3)C1 ZINC000433072623 305099649 /nfs/dbraw/zinc/09/96/49/305099649.db2.gz PAWOCKAUDMCPQC-FOIPXRHGSA-N 2 0 337.508 1.628 20 0 EDADRP CC(=O)Nc1ccc(F)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433132248 305101333 /nfs/dbraw/zinc/10/13/33/305101333.db2.gz FNXJQOQEXYRYGR-UHFFFAOYSA-N 2 0 336.411 1.926 20 0 EDADRP CCNC(=O)Nc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433142002 305101571 /nfs/dbraw/zinc/10/15/71/305101571.db2.gz RDDVOOWRSPXQJT-UHFFFAOYSA-N 2 0 347.463 1.970 20 0 EDADRP O=C(CN1CCN(Cc2ccccc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435236052 305137535 /nfs/dbraw/zinc/13/75/35/305137535.db2.gz HDUORIMJAZVILA-IBGZPJMESA-N 2 0 342.487 1.157 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000439484484 305198507 /nfs/dbraw/zinc/19/85/07/305198507.db2.gz FBMWCZMCHPCBPX-VYDXJSESSA-N 2 0 340.537 1.692 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000443686418 305240930 /nfs/dbraw/zinc/24/09/30/305240930.db2.gz XBHHFQYYJMVCPW-QBPKDAKJSA-N 2 0 325.497 1.865 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212353 305293857 /nfs/dbraw/zinc/29/38/57/305293857.db2.gz HTEYGDFXFOLBFC-IIDMSEBBSA-N 2 0 332.492 1.881 20 0 EDADRP COC(=O)COC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449165848 305308503 /nfs/dbraw/zinc/30/85/03/305308503.db2.gz BDDALJZHJMMYSE-MRXNPFEDSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000449337515 305311867 /nfs/dbraw/zinc/31/18/67/305311867.db2.gz BWTOPZDVKYPMAD-UKPHBRMFSA-N 2 0 344.459 1.178 20 0 EDADRP CO[C@@H]1C[C@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000451505753 305349946 /nfs/dbraw/zinc/34/99/46/305349946.db2.gz RTOPBVIDLUIFGE-IXDOHACOSA-N 2 0 333.476 1.809 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000451981274 305376125 /nfs/dbraw/zinc/37/61/25/305376125.db2.gz ITZSNQFCZIYRII-LJQANCHMSA-N 2 0 333.520 1.986 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCCCC1 ZINC000452371203 305394070 /nfs/dbraw/zinc/39/40/70/305394070.db2.gz HPPGZENQIMEVRG-INIZCTEOSA-N 2 0 325.497 1.462 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414909850 447353602 /nfs/dbraw/zinc/35/36/02/447353602.db2.gz CNYIQXJKTOEHOG-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2CC[NH+](CC)CC2)CC1 ZINC000497137617 305685621 /nfs/dbraw/zinc/68/56/21/305685621.db2.gz RVELAVQOBXDJGS-UHFFFAOYSA-N 2 0 339.484 1.453 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)CC[NH2+]C2CC2)c2ccccc2)CC1 ZINC000519423266 305768955 /nfs/dbraw/zinc/76/89/55/305768955.db2.gz AHMJAMSIEZAICC-GOSISDBHSA-N 2 0 330.476 1.233 20 0 EDADRP Cc1ccccc1OCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524899561 305821002 /nfs/dbraw/zinc/82/10/02/305821002.db2.gz BEBDELCHVWJYMY-UHFFFAOYSA-N 2 0 336.480 1.509 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2nccnc2cc1F ZINC000527207277 305842377 /nfs/dbraw/zinc/84/23/77/305842377.db2.gz YOIXHNMQBWYJFD-UHFFFAOYSA-N 2 0 333.411 1.334 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000414944412 447366904 /nfs/dbraw/zinc/36/69/04/447366904.db2.gz OAFXZLTYQUZMIM-GUYCJALGSA-N 2 0 344.459 1.116 20 0 EDADRP COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000532255347 305977817 /nfs/dbraw/zinc/97/78/17/305977817.db2.gz LHHPCPGISNUURX-UHFFFAOYSA-N 2 0 336.480 1.638 20 0 EDADRP CC(C)C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000538644129 306031184 /nfs/dbraw/zinc/03/11/84/306031184.db2.gz RPHSFZWKRZOMCI-SJORKVTESA-N 2 0 342.528 1.715 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000546015759 306089850 /nfs/dbraw/zinc/08/98/50/306089850.db2.gz OSTKTBKIUVQQBF-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000548102793 306119979 /nfs/dbraw/zinc/11/99/79/306119979.db2.gz FXOVEBFKEHKNAN-HZPDHXFCSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000551739249 306160811 /nfs/dbraw/zinc/16/08/11/306160811.db2.gz YUMFITBMTVLBQG-MOPGFXCFSA-N 2 0 347.503 1.718 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414944014 447367808 /nfs/dbraw/zinc/36/78/08/447367808.db2.gz OVVVYMXJFFPWDF-UHFFFAOYSA-N 2 0 335.448 1.442 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)N(C)CCC[NH+](C)C)([NH+](C)C)C1 ZINC000556662224 306212736 /nfs/dbraw/zinc/21/27/36/306212736.db2.gz GIITXVGEJMGJLN-MAUKXSAKSA-N 2 0 340.512 1.023 20 0 EDADRP O=C(C[NH2+]Cc1ccc2[nH]cnc2c1)NCC[NH+]1CCCCCC1 ZINC000556891347 306220992 /nfs/dbraw/zinc/22/09/92/306220992.db2.gz CCXZEVPDDDOXDW-UHFFFAOYSA-N 2 0 329.448 1.645 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000557197034 306226172 /nfs/dbraw/zinc/22/61/72/306226172.db2.gz NLUDPCBMRJNPIH-MSOLQXFVSA-N 2 0 330.476 1.950 20 0 EDADRP COCC1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000557218825 306226632 /nfs/dbraw/zinc/22/66/32/306226632.db2.gz FJJXKKXVXZQVLE-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000414984529 447384836 /nfs/dbraw/zinc/38/48/36/447384836.db2.gz MDHAOZKCDCNOPC-HNNXBMFYSA-N 2 0 346.475 1.439 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)oc1C ZINC000414984048 447385214 /nfs/dbraw/zinc/38/52/14/447385214.db2.gz FRAZXWIDNYXFRC-WBVHZDCISA-N 2 0 349.431 1.111 20 0 EDADRP CCn1c2ccccc2nc1[C@@H](C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415114821 447391518 /nfs/dbraw/zinc/39/15/18/447391518.db2.gz UFIYSOKWPWOIQI-HUUCEWRRSA-N 2 0 343.475 1.904 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000659311173 453710622 /nfs/dbraw/zinc/71/06/22/453710622.db2.gz HVZFDZUJCRSYHK-GJZGRUSLSA-N 2 0 325.840 1.565 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000415296586 447403953 /nfs/dbraw/zinc/40/39/53/447403953.db2.gz MTGWJCDPFIMOBH-CZUORRHYSA-N 2 0 332.448 1.586 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CC3(O)CCCCC3)CC2)CC1 ZINC000378390335 447423320 /nfs/dbraw/zinc/42/33/20/447423320.db2.gz BVSNIGHSOGLQAM-UHFFFAOYSA-N 2 0 337.508 1.604 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000419806626 447424613 /nfs/dbraw/zinc/42/46/13/447424613.db2.gz COZWOLVKNFCXSW-IAOVAPTHSA-N 2 0 344.459 1.066 20 0 EDADRP COCCC[C@H](C)C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378496625 447434565 /nfs/dbraw/zinc/43/45/65/447434565.db2.gz QBDHIZODUJUWHJ-DOTOQJQBSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[NH+]2CCCCC2)c1 ZINC000045195514 440960949 /nfs/dbraw/zinc/96/09/49/440960949.db2.gz BBYUEVTYDPCMJD-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C(C)C ZINC000102551662 441169270 /nfs/dbraw/zinc/16/92/70/441169270.db2.gz CCCNSXWZNTWUOW-KRWDZBQOSA-N 2 0 341.544 1.288 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)o1 ZINC000103211554 441177127 /nfs/dbraw/zinc/17/71/27/441177127.db2.gz NVBOZLOVADYTMZ-UHFFFAOYSA-N 2 0 332.242 1.608 20 0 EDADRP Cc1ccc(Cl)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102428 441189718 /nfs/dbraw/zinc/18/97/18/441189718.db2.gz IDZPIKYFGKDQCA-UHFFFAOYSA-N 2 0 347.912 1.762 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101645873 441160320 /nfs/dbraw/zinc/16/03/20/441160320.db2.gz ZLGNDOMJBUZVPG-TWMKSMIVSA-N 2 0 337.508 1.959 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000047883876 441232815 /nfs/dbraw/zinc/23/28/15/441232815.db2.gz QAHSNAUJRKASRR-KRWDZBQOSA-N 2 0 340.512 1.515 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000104782826 441208648 /nfs/dbraw/zinc/20/86/48/441208648.db2.gz KCJRUVGJDNCXAF-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP CN1CCO[C@@H](CNC(=O)NCc2cccc(Cn3ccnc3)c2)C1 ZINC000104787934 441209575 /nfs/dbraw/zinc/20/95/75/441209575.db2.gz AKZOCNJGQSSJRX-KRWDZBQOSA-N 2 0 343.431 1.061 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000415436408 447438771 /nfs/dbraw/zinc/43/87/71/447438771.db2.gz KAKBPWSFWHZDIS-ZBFHGGJFSA-N 2 0 346.475 1.315 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000048669284 441322497 /nfs/dbraw/zinc/32/24/97/441322497.db2.gz TXUSAZICOHRIGX-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000083006895 441345482 /nfs/dbraw/zinc/34/54/82/441345482.db2.gz IKGGAQUPZVZIFA-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000063744258 441349233 /nfs/dbraw/zinc/34/92/33/441349233.db2.gz KEFGSIJWSPLDES-UHFFFAOYSA-N 2 0 337.464 1.325 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051958332 441428621 /nfs/dbraw/zinc/42/86/21/441428621.db2.gz JTFLKJDNPXGEDO-LJQANCHMSA-N 2 0 348.487 1.779 20 0 EDADRP Cc1cc(NC(=O)CC[NH+]2CCC(C[NH+]3CCOCC3)CC2)no1 ZINC000051957318 441429068 /nfs/dbraw/zinc/42/90/68/441429068.db2.gz WKLVRTFOHXUZBF-UHFFFAOYSA-N 2 0 336.436 1.356 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)CCc2ccccc2)C1 ZINC000051998609 441430626 /nfs/dbraw/zinc/43/06/26/441430626.db2.gz KIXJUGIIRVHPJU-IBGZPJMESA-N 2 0 347.503 1.634 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000052869979 441482643 /nfs/dbraw/zinc/48/26/43/441482643.db2.gz PNSAONCHYBZAME-BRWVUGGUSA-N 2 0 325.497 1.437 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2ccc(C(=O)NCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000090038591 441616660 /nfs/dbraw/zinc/61/66/60/441616660.db2.gz KBOORIFQXYAWRP-APWZRJJASA-N 2 0 346.519 1.798 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000090121611 441621816 /nfs/dbraw/zinc/62/18/16/441621816.db2.gz GPNQXQXFPVVYRL-AWEZNQCLSA-N 2 0 329.448 1.562 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000090232051 441627181 /nfs/dbraw/zinc/62/71/81/441627181.db2.gz DBCKMDDHVFVXES-WWGRRREGSA-N 2 0 329.510 1.261 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000090232053 441627273 /nfs/dbraw/zinc/62/72/73/441627273.db2.gz DBCKMDDHVFVXES-DVOMOZLQSA-N 2 0 329.510 1.261 20 0 EDADRP CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114459811 441657871 /nfs/dbraw/zinc/65/78/71/441657871.db2.gz CYICSDHCEMKJEV-SJORKVTESA-N 2 0 325.497 1.601 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)c1ccccc1 ZINC000173324599 441713103 /nfs/dbraw/zinc/71/31/03/441713103.db2.gz ICIITGGJFFZQJS-ROUUACIJSA-N 2 0 328.460 1.945 20 0 EDADRP CCOc1c(OC)cc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000077450393 441782753 /nfs/dbraw/zinc/78/27/53/441782753.db2.gz JXDQLEYZTLHHMT-UHFFFAOYSA-N 2 0 338.448 1.649 20 0 EDADRP CCC[C@@H](C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1)[NH+](C)C ZINC000092430198 441798707 /nfs/dbraw/zinc/79/87/07/441798707.db2.gz RZLOICJBZQAFOQ-WBVHZDCISA-N 2 0 337.464 1.657 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000121870105 441799709 /nfs/dbraw/zinc/79/97/09/441799709.db2.gz GGVKMXKCXQTBLV-CQSZACIVSA-N 2 0 326.403 1.980 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000173891226 441857905 /nfs/dbraw/zinc/85/79/05/441857905.db2.gz UICSJUIDFHHWQM-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000093135178 441859194 /nfs/dbraw/zinc/85/91/94/441859194.db2.gz BZFKGAQOPGWNDX-QGZVFWFLSA-N 2 0 331.464 1.691 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)CC2([NH+]3CCOCC3)CCCC2)cn1 ZINC000118782142 441903689 /nfs/dbraw/zinc/90/36/89/441903689.db2.gz KEKXHFINHZOILX-UHFFFAOYSA-N 2 0 349.479 1.418 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+](C)C)C2)c1 ZINC000123445549 441886625 /nfs/dbraw/zinc/88/66/25/441886625.db2.gz PMGYYHZKPVNQKG-OAHLLOKOSA-N 2 0 332.448 1.145 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150786006 441950740 /nfs/dbraw/zinc/95/07/40/441950740.db2.gz JPQFESVRWDXCDJ-MOPGFXCFSA-N 2 0 348.487 1.990 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721009 441959208 /nfs/dbraw/zinc/95/92/08/441959208.db2.gz ZIZSYPHQKXPTBT-GOSISDBHSA-N 2 0 346.519 1.603 20 0 EDADRP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000161733578 442027837 /nfs/dbraw/zinc/02/78/37/442027837.db2.gz ZRCBUBBCJCCUJG-GUMHCPJTSA-N 2 0 345.487 1.659 20 0 EDADRP C[C@H]1CCN(C(=O)NCCCN2CCOCC2)C[C@@H]1n1ccnc1 ZINC000151568014 442085521 /nfs/dbraw/zinc/08/55/21/442085521.db2.gz KDYFWXMRKIYPOM-HOTGVXAUSA-N 2 0 335.452 1.198 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000162551955 442103539 /nfs/dbraw/zinc/10/35/39/442103539.db2.gz CKTLYPFQUHORTE-QYZOEREBSA-N 3 0 338.540 1.103 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000163517414 442171429 /nfs/dbraw/zinc/17/14/29/442171429.db2.gz QOBLAHAZBNJQPW-CGTJXYLNSA-N 2 0 347.459 1.061 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(CCOC[C@@H]2CCCO2)CC1 ZINC000152289351 442193014 /nfs/dbraw/zinc/19/30/14/442193014.db2.gz BNFDMEAVPGCSAD-MSOLQXFVSA-N 2 0 325.497 1.284 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000127419630 442200841 /nfs/dbraw/zinc/20/08/41/442200841.db2.gz HNDIJDKYULTLNV-CABCVRRESA-N 2 0 336.480 1.118 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000165040252 442206107 /nfs/dbraw/zinc/20/61/07/442206107.db2.gz QKHYAFCYYKTOJY-ROUUACIJSA-N 2 0 331.460 1.708 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946805 442212209 /nfs/dbraw/zinc/21/22/09/442212209.db2.gz SQOZZLMMHVMFGR-SZMVWBNQSA-N 2 0 331.460 1.659 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000167793745 442222556 /nfs/dbraw/zinc/22/25/56/442222556.db2.gz QPJNIFVKMIVXQJ-CRAIPNDOSA-N 2 0 331.460 1.707 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000168749913 442225529 /nfs/dbraw/zinc/22/55/29/442225529.db2.gz GBQIRFNMYZZKJL-KRWDZBQOSA-N 2 0 344.459 1.593 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000171038450 442302379 /nfs/dbraw/zinc/30/23/79/442302379.db2.gz JXXATTCHIPJKOU-LJQANCHMSA-N 2 0 342.487 1.924 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000171199384 442326249 /nfs/dbraw/zinc/32/62/49/442326249.db2.gz AUJOWSDFNFRCMH-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000171200915 442327061 /nfs/dbraw/zinc/32/70/61/442327061.db2.gz USRCNEDCDWQBEA-HZPDHXFCSA-N 2 0 342.528 1.620 20 0 EDADRP CN1CCN(c2ncc(C[N@H+](C[C@H]3CCOC3)C3CC3)cn2)CC1 ZINC000130001073 442337054 /nfs/dbraw/zinc/33/70/54/442337054.db2.gz QZWCEJDXIXIDJA-OAHLLOKOSA-N 2 0 331.464 1.229 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154570043 442346143 /nfs/dbraw/zinc/34/61/43/442346143.db2.gz VKAPXTUJDPZMAT-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(Cc3csc(N(C)C4CC4)n3)C2)CC1 ZINC000130565937 442349629 /nfs/dbraw/zinc/34/96/29/442349629.db2.gz HBFYHAMQFOWODQ-KRWDZBQOSA-N 2 0 349.548 1.954 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221123 442315035 /nfs/dbraw/zinc/31/50/35/442315035.db2.gz NGZGEEOETQHASF-JKSUJKDBSA-N 2 0 335.492 1.763 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1n1ccnc1 ZINC000129457480 442317419 /nfs/dbraw/zinc/31/74/19/442317419.db2.gz MLUOHJLNBATJPY-YJBOKZPZSA-N 3 0 345.491 1.509 20 0 EDADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)c1 ZINC000131167114 442366209 /nfs/dbraw/zinc/36/62/09/442366209.db2.gz FCXMWAVDKKMDKT-UHFFFAOYSA-N 2 0 338.452 1.661 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCn2ccnc2C1)Cc1ccccc1 ZINC000155781615 442426888 /nfs/dbraw/zinc/42/68/88/442426888.db2.gz JWDWBRXDPIGFGU-SJORKVTESA-N 2 0 326.444 1.735 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000156005256 442442079 /nfs/dbraw/zinc/44/20/79/442442079.db2.gz NMDCDXRJPJJFHK-MSOLQXFVSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H]([NH2+]CCC(=O)N1CCN(C)CC1)c1ccc(-n2ccnc2)cc1 ZINC000178672948 442454712 /nfs/dbraw/zinc/45/47/12/442454712.db2.gz NDLFAHULQVLRSE-INIZCTEOSA-N 3 0 341.459 1.687 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000178755068 442474992 /nfs/dbraw/zinc/47/49/92/442474992.db2.gz VKYLURXNKHLTMJ-GOSISDBHSA-N 2 0 347.528 1.905 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178880019 442512088 /nfs/dbraw/zinc/51/20/88/442512088.db2.gz DBOUPELFSDQSIF-ZIAGYGMSSA-N 2 0 334.439 1.364 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178892067 442516653 /nfs/dbraw/zinc/51/66/53/442516653.db2.gz NIGXWBSJTNHGFZ-OAHLLOKOSA-N 2 0 346.475 1.918 20 0 EDADRP O=C(CCC1CC[NH2+]CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000179247059 442604644 /nfs/dbraw/zinc/60/46/44/442604644.db2.gz YJOSGSKAFQIOHB-UHFFFAOYSA-N 2 0 330.476 1.942 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000186583266 442566675 /nfs/dbraw/zinc/56/66/75/442566675.db2.gz GEGDDDKRRWLARJ-IRXDYDNUSA-N 2 0 342.491 1.944 20 0 EDADRP COC(=O)C1CCC([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000192446202 442647048 /nfs/dbraw/zinc/64/70/48/442647048.db2.gz ZXUTYHHHKXQCRN-WZOJCFFYSA-N 2 0 346.471 1.943 20 0 EDADRP CN(C)[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)c1ccco1 ZINC000136101180 442650249 /nfs/dbraw/zinc/65/02/49/442650249.db2.gz JMGRGUBGQXHMKH-HNNXBMFYSA-N 2 0 346.431 1.648 20 0 EDADRP COCCc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)s1 ZINC000181414694 442695570 /nfs/dbraw/zinc/69/55/70/442695570.db2.gz NGXBLWLZILKBBE-ZDUSSCGKSA-N 2 0 341.521 1.995 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000180870140 442666337 /nfs/dbraw/zinc/66/63/37/442666337.db2.gz HLSWFRKWBHZHRV-GOSISDBHSA-N 2 0 333.476 1.600 20 0 EDADRP Cc1ccc(OC[C@H](O)C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000180935598 442670038 /nfs/dbraw/zinc/67/00/38/442670038.db2.gz GGQSBNZSENRYLU-LJQANCHMSA-N 2 0 349.519 1.693 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCCC[C@@H]2C)C1 ZINC000192628794 442670252 /nfs/dbraw/zinc/67/02/52/442670252.db2.gz KMSOPADWHMETOF-RCCFBDPRSA-N 2 0 339.524 1.970 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCN(C)Cc3ccc(F)cc3)C2)CC1 ZINC000181695311 442710718 /nfs/dbraw/zinc/71/07/18/442710718.db2.gz WFCLGPWPXBDMMY-FQEVSTJZSA-N 2 0 348.510 1.969 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@@H](C)C1 ZINC000246562426 442793342 /nfs/dbraw/zinc/79/33/42/442793342.db2.gz XHFLZQUGBPQJNM-BBRMVZONSA-N 2 0 329.510 1.263 20 0 EDADRP C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[NH+]1CCCCCC1 ZINC000193669881 442766206 /nfs/dbraw/zinc/76/62/06/442766206.db2.gz NCQZDQRYYRARAD-HZPDHXFCSA-N 2 0 338.496 1.097 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188762612 442807482 /nfs/dbraw/zinc/80/74/82/442807482.db2.gz NWXXDOFKWIEZGW-RCCFBDPRSA-N 2 0 349.450 1.248 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCN(Cc2ccccn2)CC1 ZINC000193945782 442816771 /nfs/dbraw/zinc/81/67/71/442816771.db2.gz SWBZOMFSMZQJII-UHFFFAOYSA-N 2 0 328.460 1.600 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)CN(C)[C@H]1CC[N@H+](CC)C[C@H]1C)C(=O)OC ZINC000247007817 442827992 /nfs/dbraw/zinc/82/79/92/442827992.db2.gz LKRGLVOONNHTJA-IVSAIRAKSA-N 2 0 341.496 1.352 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCN(c2nccn2C)CC1)c1ccccc1 ZINC000265745170 442904113 /nfs/dbraw/zinc/90/41/13/442904113.db2.gz HGHSRRCIRUDXCB-QGZVFWFLSA-N 2 0 341.459 1.762 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000183037701 318517682 /nfs/dbraw/zinc/51/76/82/318517682.db2.gz WEEDNKBUCWELEW-MRXNPFEDSA-N 2 0 345.553 1.350 20 0 EDADRP COC[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000265796444 442924313 /nfs/dbraw/zinc/92/43/13/442924313.db2.gz NHZOOWQAFOYKEG-IBGZPJMESA-N 2 0 345.487 1.867 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000249176410 442959588 /nfs/dbraw/zinc/95/95/88/442959588.db2.gz ZIVARMYZHIHUFZ-OWCLPIDISA-N 2 0 340.512 1.346 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccncc1F ZINC000265896494 442961587 /nfs/dbraw/zinc/96/15/87/442961587.db2.gz MEDWGHVLVORMQA-UHFFFAOYSA-N 2 0 343.406 1.558 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000195141870 442988348 /nfs/dbraw/zinc/98/83/48/442988348.db2.gz DZLHIFISUNCAAS-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCCC3)CC2)CC1 ZINC000195140483 442988826 /nfs/dbraw/zinc/98/88/26/442988826.db2.gz BIXGSTRBBYDCJD-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1)[NH+]1CCC(C)CC1 ZINC000252977987 443048070 /nfs/dbraw/zinc/04/80/70/443048070.db2.gz XJKUATWEEDWRAA-ZACQAIPSSA-N 2 0 340.512 1.203 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000189751927 443003527 /nfs/dbraw/zinc/00/35/27/443003527.db2.gz CTJYGZBEDSHYMW-WBVHZDCISA-N 2 0 341.521 1.361 20 0 EDADRP Cn1ccnc1-c1cccc(NC(=O)N2CCN(CCO)CC2)c1 ZINC000268786678 443108049 /nfs/dbraw/zinc/10/80/49/443108049.db2.gz ZUQTWHZLAJQTAE-UHFFFAOYSA-N 2 0 329.404 1.229 20 0 EDADRP CCS(=O)(=O)NCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268815037 443116496 /nfs/dbraw/zinc/11/64/96/443116496.db2.gz PKBVYXRBCUDGER-DOTOQJQBSA-N 2 0 339.505 1.426 20 0 EDADRP CCS(=O)(=O)NCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268815047 443116999 /nfs/dbraw/zinc/11/69/99/443116999.db2.gz PKBVYXRBCUDGER-WBVHZDCISA-N 2 0 339.505 1.426 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185047022 443124574 /nfs/dbraw/zinc/12/45/74/443124574.db2.gz QXPIRKWTEXXUDJ-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000268864166 443130633 /nfs/dbraw/zinc/13/06/33/443130633.db2.gz SSVRHYRYCGGBPE-OLZOCXBDSA-N 2 0 340.855 1.498 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000237496172 443174707 /nfs/dbraw/zinc/17/47/07/443174707.db2.gz UMQQPUHMNSKRAP-QAPCUYQASA-N 2 0 330.476 1.386 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000237588003 443176138 /nfs/dbraw/zinc/17/61/38/443176138.db2.gz IXLUORWZXPDMJX-NJAFHUGGSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@@H](CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[N@H+](C)C1CC1 ZINC000185348637 443187670 /nfs/dbraw/zinc/18/76/70/443187670.db2.gz PAQLBDMPJBKUGJ-HNNXBMFYSA-N 2 0 339.528 1.184 20 0 EDADRP C[N@H+](Cc1ccccc1NC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000262429642 443194597 /nfs/dbraw/zinc/19/45/97/443194597.db2.gz SDTAPGDOFREGEU-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP CCn1cc(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)cn1 ZINC000269214261 443235571 /nfs/dbraw/zinc/23/55/71/443235571.db2.gz CRPMKJDYUGONKY-KRWDZBQOSA-N 2 0 338.415 1.656 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262730803 443209436 /nfs/dbraw/zinc/20/94/36/443209436.db2.gz BMQFVKLUUWUSAT-XHSDSOJGSA-N 2 0 327.538 1.956 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269242117 443247331 /nfs/dbraw/zinc/24/73/31/443247331.db2.gz BJCNCTXHUYMQKV-INIZCTEOSA-N 2 0 332.448 1.064 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1CC[NH2+]CC1 ZINC000382730479 319124888 /nfs/dbraw/zinc/12/48/88/319124888.db2.gz APMGBYGOQYJHBU-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000397522691 319135339 /nfs/dbraw/zinc/13/53/39/319135339.db2.gz VKJSFDFFMXROHG-HUUCEWRRSA-N 2 0 341.496 1.869 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](C2CC2)C(C)(C)CO)CC1 ZINC000411767748 319202284 /nfs/dbraw/zinc/20/22/84/319202284.db2.gz BUCDLUKVGCRHLE-KRWDZBQOSA-N 2 0 325.497 1.362 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H]1C ZINC000245880622 443254609 /nfs/dbraw/zinc/25/46/09/443254609.db2.gz NOLTUNPIBHNUGE-KGLIPLIRSA-N 2 0 340.512 1.392 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000414185716 319318045 /nfs/dbraw/zinc/31/80/45/319318045.db2.gz HBDGARSIXOMWHS-UHFFFAOYSA-N 3 0 338.540 1.245 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](CCCO)[C@@H]2CCc3ccccc32)C1 ZINC000414692706 319343408 /nfs/dbraw/zinc/34/34/08/319343408.db2.gz KWRDEEQFKNCXQR-QFBILLFUSA-N 2 0 345.487 1.556 20 0 EDADRP c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414776333 319343957 /nfs/dbraw/zinc/34/39/57/319343957.db2.gz HBHKIVWIBUHVKN-CABCVRRESA-N 2 0 336.505 1.801 20 0 EDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992647 319344183 /nfs/dbraw/zinc/34/41/83/319344183.db2.gz TYOGAFLVJXJXHQ-TZMCWYRMSA-N 2 0 346.397 1.447 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415221994 319353271 /nfs/dbraw/zinc/35/32/71/319353271.db2.gz PSIROSHJODXLFG-BBRMVZONSA-N 2 0 330.432 1.169 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC(C)(C)[NH3+] ZINC000415238632 319355764 /nfs/dbraw/zinc/35/57/64/319355764.db2.gz MFRZBGRGPSLPOG-UHFFFAOYSA-N 2 0 349.479 1.696 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415975570 319387077 /nfs/dbraw/zinc/38/70/77/319387077.db2.gz QBCAKAYUSVSLMG-UHFFFAOYSA-N 2 0 336.436 1.211 20 0 EDADRP C[NH+](C)CCCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000266872245 443275329 /nfs/dbraw/zinc/27/53/29/443275329.db2.gz XTAHGPUFPZDFCB-UHFFFAOYSA-N 2 0 333.480 1.052 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000185846997 443269091 /nfs/dbraw/zinc/26/90/91/443269091.db2.gz MJLNYEAJCVLTJQ-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000419274829 319580540 /nfs/dbraw/zinc/58/05/40/319580540.db2.gz YFVNYFJNZAQOHQ-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP Cc1[nH]ccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267316824 443415882 /nfs/dbraw/zinc/41/58/82/443415882.db2.gz DMUORIBOQLECLV-UHFFFAOYSA-N 2 0 327.432 1.660 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000420383103 319613227 /nfs/dbraw/zinc/61/32/27/319613227.db2.gz BJGVDUOLNUXUFP-FFGOWVMKSA-N 2 0 343.446 1.483 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000269700325 443401512 /nfs/dbraw/zinc/40/15/12/443401512.db2.gz POLNDKSLHISREJ-MRXNPFEDSA-N 2 0 345.491 1.954 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278978809 443479838 /nfs/dbraw/zinc/47/98/38/443479838.db2.gz JUCMZQNNJIQGSE-JKSUJKDBSA-N 2 0 339.443 1.491 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422929726 319738271 /nfs/dbraw/zinc/73/82/71/319738271.db2.gz RFVKZTKFOZUPRI-ZIAGYGMSSA-N 2 0 327.494 1.933 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1cccs1 ZINC000423306853 319762695 /nfs/dbraw/zinc/76/26/95/319762695.db2.gz MFBXQOPJLWYWRA-LSDHHAIUSA-N 2 0 347.488 1.902 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000423318053 319763762 /nfs/dbraw/zinc/76/37/62/319763762.db2.gz BXVAABSOIZWRKX-RDTXWAMCSA-N 2 0 331.460 1.970 20 0 EDADRP Cn1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423340173 319765107 /nfs/dbraw/zinc/76/51/07/319765107.db2.gz XETNOGMAHCKDAN-OAHLLOKOSA-N 2 0 331.464 1.055 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC[NH2+]C1 ZINC000423388550 319769308 /nfs/dbraw/zinc/76/93/08/319769308.db2.gz UDLAVBTUFABXGY-JXFKEZNVSA-N 2 0 345.487 1.954 20 0 EDADRP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423392375 319770166 /nfs/dbraw/zinc/77/01/66/319770166.db2.gz QHDVYYSNWLDLER-GXTWGEPZSA-N 2 0 331.386 1.223 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1O ZINC000423396618 319771267 /nfs/dbraw/zinc/77/12/67/319771267.db2.gz RVMDRVODURPORB-IAQYHMDHSA-N 2 0 347.381 1.888 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283259783 443579854 /nfs/dbraw/zinc/57/98/54/443579854.db2.gz CDAWZVXXHLKRFN-GOSISDBHSA-N 3 0 343.475 1.822 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000426571920 319885675 /nfs/dbraw/zinc/88/56/75/319885675.db2.gz WYTOHXGLTPAFBF-SJORKVTESA-N 2 0 340.512 1.395 20 0 EDADRP C[C@H](C(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2)n1cccn1 ZINC000275721626 443639512 /nfs/dbraw/zinc/63/95/12/443639512.db2.gz ORTNQLNPZGJERD-CABCVRRESA-N 2 0 342.447 1.349 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](Oc3ccccn3)C2)CC1 ZINC000283331034 443603986 /nfs/dbraw/zinc/60/39/86/443603986.db2.gz PMJUECQUIOXZRD-SFHVURJKSA-N 2 0 332.492 1.951 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279567545 443608306 /nfs/dbraw/zinc/60/83/06/443608306.db2.gz FRDOFYNRBHOUQX-GOSISDBHSA-N 2 0 328.460 1.822 20 0 EDADRP Cc1nc(C2(NC(=O)CCC[NH+]3CCC([NH3+])CC3)CCCCC2)no1 ZINC000433150400 319972186 /nfs/dbraw/zinc/97/21/86/319972186.db2.gz GGJRFEKVGOOTNL-UHFFFAOYSA-N 2 0 349.479 1.857 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433150957 319972205 /nfs/dbraw/zinc/97/22/05/319972205.db2.gz MVMDAMBVJCIGIJ-JKSUJKDBSA-N 2 0 325.497 1.900 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000439693465 320048341 /nfs/dbraw/zinc/04/83/41/320048341.db2.gz SPVPPVCECUSILF-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@@H]1CSC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449216286 320178956 /nfs/dbraw/zinc/17/89/56/320178956.db2.gz RBXLFHYCVNEBBN-HYVNUMGLSA-N 2 0 335.517 1.617 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449361385 320183849 /nfs/dbraw/zinc/18/38/49/320183849.db2.gz JGJNNOGHFCDRPX-DOTOQJQBSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(N1CC[C@H](C[NH+]2CCOCC2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449367228 320184953 /nfs/dbraw/zinc/18/49/53/320184953.db2.gz UOSXTLGUTZBNTB-YLJYHZDGSA-N 2 0 343.471 1.098 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000449715883 320201688 /nfs/dbraw/zinc/20/16/88/320201688.db2.gz BXCDAFPMYJEUHT-ROUUACIJSA-N 2 0 344.503 1.751 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C(F)(F)F ZINC000449723555 320202133 /nfs/dbraw/zinc/20/21/33/320202133.db2.gz FWLYMTPMTICTAJ-GFCCVEGCSA-N 2 0 337.386 1.417 20 0 EDADRP O=C(Nc1ccn2ccnc2c1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000283613398 443673308 /nfs/dbraw/zinc/67/33/08/443673308.db2.gz AEDGVRYZOYHPMH-AWEZNQCLSA-N 2 0 329.404 1.520 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCCC[C@H]1C ZINC000457725714 320333672 /nfs/dbraw/zinc/33/36/72/320333672.db2.gz ZJIAOAVRGCARGS-ZACQAIPSSA-N 2 0 340.512 1.395 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000489397553 320359780 /nfs/dbraw/zinc/35/97/80/320359780.db2.gz NBSHAVOMEYXDCX-GVDBMIGSSA-N 2 0 340.512 1.326 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C(N)=O ZINC000286319118 443690275 /nfs/dbraw/zinc/69/02/75/443690275.db2.gz VSOLDSFWVLXHRD-KBAYOESNSA-N 2 0 331.460 1.331 20 0 EDADRP COc1cccc(OC)c1OC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000516867974 320442299 /nfs/dbraw/zinc/44/22/99/320442299.db2.gz FNQSQXXMMHEYOO-UHFFFAOYSA-N 2 0 349.475 1.452 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cn1 ZINC000518724362 320459565 /nfs/dbraw/zinc/45/95/65/320459565.db2.gz VUADNAYQZZESDS-WBAXXEDZSA-N 2 0 333.476 1.989 20 0 EDADRP CC(=O)N1CCC[C@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000525997884 320496719 /nfs/dbraw/zinc/49/67/19/320496719.db2.gz MALXVOPRIBSGKG-MRXNPFEDSA-N 2 0 327.432 1.924 20 0 EDADRP CC(C)n1ncc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cnc21 ZINC000531357587 320656886 /nfs/dbraw/zinc/65/68/86/320656886.db2.gz FXTUUBIBPXQVQP-UHFFFAOYSA-N 2 0 346.479 1.578 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277305734 443959035 /nfs/dbraw/zinc/95/90/35/443959035.db2.gz ULALJJSNMFPNQV-MSOLQXFVSA-N 2 0 336.476 1.989 20 0 EDADRP c1ncn(CC[N@@H+]2CC[C@H](Oc3cccnc3N3CCCC3)C2)n1 ZINC000289032552 444038129 /nfs/dbraw/zinc/03/81/29/444038129.db2.gz BBFOIVTXCRGCCS-HNNXBMFYSA-N 2 0 328.420 1.427 20 0 EDADRP CC[C@@]1(C)NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277846229 444051987 /nfs/dbraw/zinc/05/19/87/444051987.db2.gz NPAUYIMVPOGPFP-GOSISDBHSA-N 2 0 345.447 1.314 20 0 EDADRP C[NH+](C)CC1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000281821054 444014637 /nfs/dbraw/zinc/01/46/37/444014637.db2.gz VQNNDMLZDSTIRT-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCSCC1 ZINC000299554045 444077784 /nfs/dbraw/zinc/07/77/84/444077784.db2.gz YGUWQGBPLZCGDO-UHFFFAOYSA-N 2 0 349.504 1.352 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000561195461 321036162 /nfs/dbraw/zinc/03/61/62/321036162.db2.gz VGMRDHCGHRDSQQ-WJNMYVKJSA-N 2 0 328.460 1.557 20 0 EDADRP CN1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214895 321036416 /nfs/dbraw/zinc/03/64/16/321036416.db2.gz DYTFBIPDXUYSNN-QZTJIDSGSA-N 2 0 341.459 1.124 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)C2 ZINC000562163711 321047045 /nfs/dbraw/zinc/04/70/45/321047045.db2.gz ATFGORGDABPBSP-JQHSSLGASA-N 2 0 346.475 1.514 20 0 EDADRP CC(C)C[C@@H](CNC(=O)COC1C[NH2+]C1)[NH2+][C@H](C)c1ccccc1 ZINC000563074557 321093675 /nfs/dbraw/zinc/09/36/75/321093675.db2.gz GHVQVWNMHAAAEM-WBVHZDCISA-N 2 0 333.476 1.857 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000565046749 321166763 /nfs/dbraw/zinc/16/67/63/321166763.db2.gz SFIMFNUIOLIFPP-HOTGVXAUSA-N 3 0 334.508 1.051 20 0 EDADRP C[NH2+]C[C@@H](O)C[NH2+]C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC000565540493 321190528 /nfs/dbraw/zinc/19/05/28/321190528.db2.gz XKKLUFUQOYBPHC-HUUCEWRRSA-N 2 0 327.428 1.325 20 0 EDADRP COCCC[NH+]1CCC([NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000278104974 444097297 /nfs/dbraw/zinc/09/72/97/444097297.db2.gz ADFQCAGGOBNAGZ-UHFFFAOYSA-N 2 0 345.443 1.373 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000566088826 321214335 /nfs/dbraw/zinc/21/43/35/321214335.db2.gz SDQPBSCNUPYYJT-KBPBESRZSA-N 2 0 331.526 1.557 20 0 EDADRP CCOC[C@@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000566105543 321215310 /nfs/dbraw/zinc/21/53/10/321215310.db2.gz MKQVDNOXSSJDCR-IBGZPJMESA-N 2 0 335.492 1.311 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000568770194 321305838 /nfs/dbraw/zinc/30/58/38/321305838.db2.gz VNSCHZYXGMTFOE-ROUUACIJSA-N 2 0 330.476 1.682 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000569083121 321317430 /nfs/dbraw/zinc/31/74/30/321317430.db2.gz KMBRKRCCJONWCN-CQSZACIVSA-N 2 0 344.459 1.119 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460452 444149727 /nfs/dbraw/zinc/14/97/27/444149727.db2.gz OJJFLSAUTRXAAB-INIZCTEOSA-N 2 0 336.480 1.649 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000289738525 444197109 /nfs/dbraw/zinc/19/71/09/444197109.db2.gz GZAVFCLIULMSHU-GOEBONIOSA-N 2 0 335.448 1.294 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cn1cccn1 ZINC000310816969 444293151 /nfs/dbraw/zinc/29/31/51/444293151.db2.gz JEQNRQAXAJGVHC-UAFMIMERSA-N 2 0 340.471 1.744 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000324446793 444355603 /nfs/dbraw/zinc/35/56/03/444355603.db2.gz CTGUNLFVYIZJJZ-YOEHRIQHSA-N 2 0 328.460 1.884 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000337692481 444356181 /nfs/dbraw/zinc/35/61/81/444356181.db2.gz VSKYLTGQIAPNAZ-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCN(Cc3ccc4c(c3)CCO4)CC2)C1 ZINC000337697259 444359066 /nfs/dbraw/zinc/35/90/66/444359066.db2.gz UDLJVHAXEFGPQA-INIZCTEOSA-N 2 0 343.471 1.608 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000578425174 321771820 /nfs/dbraw/zinc/77/18/20/321771820.db2.gz PFBRZJGOSVTOHR-DLBZAZTESA-N 2 0 346.475 1.520 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000578887654 321849145 /nfs/dbraw/zinc/84/91/45/321849145.db2.gz GDTSAXMQVOFOMK-GOSISDBHSA-N 2 0 348.447 1.141 20 0 EDADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000340726550 444490450 /nfs/dbraw/zinc/49/04/50/444490450.db2.gz LSXYMKRXYTXTQZ-IRXDYDNUSA-N 2 0 333.501 1.814 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@]12NC(=O)N(Cc1ccc3c(c1)C[NH2+]CC3)C2=O ZINC000579957964 321991793 /nfs/dbraw/zinc/99/17/93/321991793.db2.gz LJTYMIRSRJIUIA-QFBILLFUSA-N 2 0 342.443 1.272 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)[C@H]3C[NH2+]CCO3)nc2)C1 ZINC000580062659 322003159 /nfs/dbraw/zinc/00/31/59/322003159.db2.gz PAVVHWDVURWGFC-ZHALLVOQSA-N 2 0 345.491 1.401 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000338044542 444497944 /nfs/dbraw/zinc/49/79/44/444497944.db2.gz BSDUEGFFXQLXQX-FGTMMUONSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580881914 322107035 /nfs/dbraw/zinc/10/70/35/322107035.db2.gz GBYNYQLPNRVSTG-NXHRZFHOSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000581001232 322122463 /nfs/dbraw/zinc/12/24/63/322122463.db2.gz HNPUOOKLQPDZEV-BPQIPLTHSA-N 2 0 345.491 1.106 20 0 EDADRP CC[N@H+](CCC1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706308 444532611 /nfs/dbraw/zinc/53/26/11/444532611.db2.gz GLKOFOHMOHFZPU-GOSISDBHSA-N 2 0 326.481 1.744 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340863924 444550032 /nfs/dbraw/zinc/55/00/32/444550032.db2.gz WICPUYUSFZRHAN-BPQIPLTHSA-N 2 0 332.492 1.941 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000341009040 444628201 /nfs/dbraw/zinc/62/82/01/444628201.db2.gz DTHOQFWYUAETAG-KBAYOESNSA-N 2 0 332.492 1.941 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000341012107 444630999 /nfs/dbraw/zinc/63/09/99/444630999.db2.gz HPUSPGYWPZTRAG-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340966506 444604442 /nfs/dbraw/zinc/60/44/42/444604442.db2.gz NLWWCOLHVRFPBG-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000332997144 444625313 /nfs/dbraw/zinc/62/53/13/444625313.db2.gz OXMNIDCLKBOIEB-VYDXJSESSA-N 2 0 349.479 1.671 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000333282135 444653662 /nfs/dbraw/zinc/65/36/62/444653662.db2.gz HSEJMYSRDFXCCM-CYBMUJFWSA-N 2 0 332.448 1.599 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000338331036 444637568 /nfs/dbraw/zinc/63/75/68/444637568.db2.gz VHHCCGIIOCHDBO-DOTOQJQBSA-N 2 0 342.528 1.763 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CCSC1 ZINC000333126348 444641568 /nfs/dbraw/zinc/64/15/68/444641568.db2.gz BCTPZJICZNRLMC-FQLMCAECSA-N 2 0 326.510 1.193 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000341154192 444700312 /nfs/dbraw/zinc/70/03/12/444700312.db2.gz DWZVCOCITVSDRH-IRXDYDNUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC[N@@H+]1C ZINC000341188387 444718117 /nfs/dbraw/zinc/71/81/17/444718117.db2.gz DAIFKKQJGQBQHA-CVEARBPZSA-N 2 0 333.480 1.638 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CCOC ZINC000344005328 444722638 /nfs/dbraw/zinc/72/26/38/444722638.db2.gz FDJCZSXXBPMWGB-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000333941884 444724111 /nfs/dbraw/zinc/72/41/11/444724111.db2.gz PMBSPGZPKHGFCD-OKZBNKHCSA-N 2 0 328.460 1.423 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000344013418 444728049 /nfs/dbraw/zinc/72/80/49/444728049.db2.gz OYGARJFHVOFNPP-HZPDHXFCSA-N 2 0 343.537 1.383 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000341209530 444730779 /nfs/dbraw/zinc/73/07/79/444730779.db2.gz GPQIFNPHVUNANW-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000343942752 444684880 /nfs/dbraw/zinc/68/48/80/444684880.db2.gz UMOOLQCTDWCORS-QZTJIDSGSA-N 2 0 327.432 1.481 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH3+])CCCCC1 ZINC000333794433 444697889 /nfs/dbraw/zinc/69/78/89/444697889.db2.gz GTBWWGNUYGJNHX-OAHLLOKOSA-N 2 0 338.496 1.543 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000342691673 444816772 /nfs/dbraw/zinc/81/67/72/444816772.db2.gz IHNXJSCEQNFXCT-RHSMWYFYSA-N 2 0 347.459 1.609 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C(=O)NCc1ccco1 ZINC000344116790 444790603 /nfs/dbraw/zinc/79/06/03/444790603.db2.gz NODGBJHRXUDJHM-AWEZNQCLSA-N 2 0 339.399 1.963 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341427909 444823921 /nfs/dbraw/zinc/82/39/21/444823921.db2.gz HTEUYKBZENVLJM-QGZVFWFLSA-N 2 0 337.533 1.947 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000341473933 444850667 /nfs/dbraw/zinc/85/06/67/444850667.db2.gz STEIZAPJDINDTA-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP COC(=O)c1cn(CC[NH2+][C@@H](C)c2ccc(-n3ccnc3)cc2)nn1 ZINC000342808350 444874920 /nfs/dbraw/zinc/87/49/20/444874920.db2.gz BQBUZJMZPJYAEF-ZDUSSCGKSA-N 2 0 340.387 1.601 20 0 EDADRP CCc1oc(C[NH2+]CCCN2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000338933931 444942682 /nfs/dbraw/zinc/94/26/82/444942682.db2.gz ACNHPWKMYVEPEJ-UHFFFAOYSA-N 2 0 337.464 1.746 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000343020657 445009523 /nfs/dbraw/zinc/00/95/23/445009523.db2.gz UUXPYSRCDGUEHV-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP CCOC(=O)C1CCC(O)(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)CC1 ZINC000339436073 445140694 /nfs/dbraw/zinc/14/06/94/445140694.db2.gz CJKXWVREFFBPIB-CUYAVPTFSA-N 2 0 338.492 1.889 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339249549 445114848 /nfs/dbraw/zinc/11/48/48/445114848.db2.gz OQQVXJDPWPOZFV-GASCZTMLSA-N 2 0 334.464 1.372 20 0 EDADRP CC[NH+]1CCN(c2cncc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000343260218 445165397 /nfs/dbraw/zinc/16/53/97/445165397.db2.gz BFZQRNVYGVVZHC-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000330858037 445168856 /nfs/dbraw/zinc/16/88/56/445168856.db2.gz ZXVKTVHUECNGRC-LSDHHAIUSA-N 2 0 329.448 1.463 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@@H](N2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000339514128 445147536 /nfs/dbraw/zinc/14/75/36/445147536.db2.gz LCJSDHKHFRRDOH-MOPGFXCFSA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)Cc1ccccc1 ZINC000343375818 445212474 /nfs/dbraw/zinc/21/24/74/445212474.db2.gz QHZGPNMZECSTFF-SFHVURJKSA-N 2 0 330.476 1.720 20 0 EDADRP COC[C@@]1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000343434473 445222299 /nfs/dbraw/zinc/22/22/99/445222299.db2.gz AWDABKWHKMKREZ-FQEVSTJZSA-N 2 0 345.487 1.727 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000343476919 445230356 /nfs/dbraw/zinc/23/03/56/445230356.db2.gz OOCXTMPPQZLBNN-CQSZACIVSA-N 2 0 348.447 1.048 20 0 EDADRP C[C@@H]([NH2+]CCNc1cnccn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099169 445267608 /nfs/dbraw/zinc/26/76/08/445267608.db2.gz WFOPQRAZIZQBPG-AEFFLSMTSA-N 2 0 325.460 2.389 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCS(=O)(=O)N(C)C ZINC000348367633 445268103 /nfs/dbraw/zinc/26/81/03/445268103.db2.gz FDXXDMSENQSAPS-HOTGVXAUSA-N 2 0 333.542 1.758 20 0 EDADRP Cn1ccnc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102381 445269190 /nfs/dbraw/zinc/26/91/90/445269190.db2.gz NKJPXYNRTUGVCS-ULQDDVLXSA-N 2 0 337.487 1.749 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[N@@H+]1C ZINC000343619076 445265643 /nfs/dbraw/zinc/26/56/43/445265643.db2.gz JQPKDBOCBXIIEF-CRAIPNDOSA-N 2 0 348.491 1.909 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122302 445280056 /nfs/dbraw/zinc/28/00/56/445280056.db2.gz DBPOTILIFYTJDD-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000343655302 445285753 /nfs/dbraw/zinc/28/57/53/445285753.db2.gz OXNJLXVLGJKKEQ-CRAIPNDOSA-N 2 0 348.491 1.909 20 0 EDADRP C[N@H+](CCC(=O)N1CCCc2ccccc21)C1CCN(CCO)CC1 ZINC000348276346 445336232 /nfs/dbraw/zinc/33/62/32/445336232.db2.gz NSHOSKINHOQUHQ-UHFFFAOYSA-N 2 0 345.487 1.744 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000362395680 445358462 /nfs/dbraw/zinc/35/84/62/445358462.db2.gz KFSQBKQJFQMNGQ-DOTOQJQBSA-N 2 0 343.537 1.287 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000351808794 445328282 /nfs/dbraw/zinc/32/82/82/445328282.db2.gz LPSBFJLNQRSTCO-NVXWUHKLSA-N 2 0 340.512 1.611 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357078799 445412333 /nfs/dbraw/zinc/41/23/33/445412333.db2.gz LZXHJEIMKDDPLC-GJZGRUSLSA-N 2 0 327.428 1.604 20 0 EDADRP Cc1cccc(OCCNC(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357085200 445417378 /nfs/dbraw/zinc/41/73/78/445417378.db2.gz QPKCTFUYWNLJBK-GOSISDBHSA-N 2 0 345.487 1.812 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000359714775 445388777 /nfs/dbraw/zinc/38/87/77/445388777.db2.gz BORYKJPJGWYYTR-UHFFFAOYSA-N 2 0 347.463 1.083 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000352073977 445474809 /nfs/dbraw/zinc/47/48/09/445474809.db2.gz JZKOCDNFIAWKCI-UHFFFAOYSA-N 2 0 331.526 1.608 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000357207135 445481377 /nfs/dbraw/zinc/48/13/77/445481377.db2.gz YCHHNPSDUZBNLB-RTBURBONSA-N 2 0 345.487 1.564 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000352016255 445440288 /nfs/dbraw/zinc/44/02/88/445440288.db2.gz WBEJFTAECZAEJX-IRXDYDNUSA-N 2 0 344.503 1.993 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[N@H+](C)C[C@H]3C)cc2)CC1 ZINC000352016253 445440312 /nfs/dbraw/zinc/44/03/12/445440312.db2.gz WBEJFTAECZAEJX-DLBZAZTESA-N 2 0 344.503 1.993 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NCCCC[NH+]2CCOCC2)CCCSC1 ZINC000362729107 445522101 /nfs/dbraw/zinc/52/21/01/445522101.db2.gz WWMARVKJXXSLNK-MRXNPFEDSA-N 2 0 329.510 1.042 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000357304346 445536838 /nfs/dbraw/zinc/53/68/38/445536838.db2.gz HYEYLZXOAILZSD-ZWKOTPCHSA-N 2 0 349.475 1.523 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000359922380 445489930 /nfs/dbraw/zinc/48/99/30/445489930.db2.gz GVWRSZYBTHHERB-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP C[NH2+][C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cnn(C)c1 ZINC000357238377 445499719 /nfs/dbraw/zinc/49/97/19/445499719.db2.gz GNHMWBWADFHKOQ-AEFFLSMTSA-N 2 0 347.507 1.795 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362808966 445559196 /nfs/dbraw/zinc/55/91/96/445559196.db2.gz NADRUFBHTMLIBP-JKSUJKDBSA-N 2 0 331.464 1.508 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358116077 445604936 /nfs/dbraw/zinc/60/49/36/445604936.db2.gz GRUNOJNYVXOUQA-HNNXBMFYSA-N 2 0 327.517 1.040 20 0 EDADRP COC(=O)c1csc([C@@H](C)[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000353503001 445632204 /nfs/dbraw/zinc/63/22/04/445632204.db2.gz NRPYUEUFPFZFTK-GFCCVEGCSA-N 2 0 326.462 1.890 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000362985021 445638587 /nfs/dbraw/zinc/63/85/87/445638587.db2.gz ARYDYRRUBXDIQM-IAGOWNOFSA-N 2 0 333.480 1.008 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360243152 445651981 /nfs/dbraw/zinc/65/19/81/445651981.db2.gz UDKZPHWNHOMHRT-HOCLYGCPSA-N 2 0 328.526 1.597 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576326 445663189 /nfs/dbraw/zinc/66/31/89/445663189.db2.gz FPBAIGUQXOEAIA-NVXWUHKLSA-N 2 0 346.475 1.840 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000356235217 445691544 /nfs/dbraw/zinc/69/15/44/445691544.db2.gz LGNHPQPMFKJRSK-INIZCTEOSA-N 2 0 333.480 1.869 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000349756985 445668226 /nfs/dbraw/zinc/66/82/26/445668226.db2.gz JMCBTPUVMQRTTQ-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358695647 445722742 /nfs/dbraw/zinc/72/27/42/445722742.db2.gz RCDGKHBFTSYIEZ-IJEWVQPXSA-N 2 0 349.479 1.034 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000349929653 445723207 /nfs/dbraw/zinc/72/32/07/445723207.db2.gz CHTOEBFRIMSTEI-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C3([NH3+])CCOCC3)c2)CC1 ZINC000353732604 445729532 /nfs/dbraw/zinc/72/95/32/445729532.db2.gz ZHJSBQIZZJFVAV-UHFFFAOYSA-N 2 0 346.475 1.663 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000353734690 445731465 /nfs/dbraw/zinc/73/14/65/445731465.db2.gz HDWZJYFUYMIKAK-OASPWFOLSA-N 2 0 333.329 1.509 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CCC[C@@H]21 ZINC000349966357 445736621 /nfs/dbraw/zinc/73/66/21/445736621.db2.gz MKFCYAKUIZYWPA-WMZOPIPTSA-N 2 0 343.475 1.788 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000358721518 445742070 /nfs/dbraw/zinc/74/20/70/445742070.db2.gz NIDCXJCGWASPEC-SZVBFZGTSA-N 2 0 346.475 1.015 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000356352562 445748876 /nfs/dbraw/zinc/74/88/76/445748876.db2.gz ULDXOBFQKBAPSF-KRWDZBQOSA-N 2 0 345.487 1.988 20 0 EDADRP Cn1ccnc1CN(C(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000361254631 445756965 /nfs/dbraw/zinc/75/69/65/445756965.db2.gz ZYURYEGIZBXZQY-BZUAXINKSA-N 2 0 345.491 1.408 20 0 EDADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H](C)C[NH2+]1 ZINC000356378198 445759953 /nfs/dbraw/zinc/75/99/53/445759953.db2.gz YUSAOPUORGAOPH-QZTJIDSGSA-N 2 0 344.503 1.798 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000361479815 445780458 /nfs/dbraw/zinc/78/04/58/445780458.db2.gz XNYOUISWNZGLSH-GOSISDBHSA-N 2 0 337.508 1.963 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C)C1 ZINC000350218128 445795167 /nfs/dbraw/zinc/79/51/67/445795167.db2.gz PQGOLRVXXHUFHR-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363417550 445795406 /nfs/dbraw/zinc/79/54/06/445795406.db2.gz JVKDZHLIWOYZFU-MSOLQXFVSA-N 2 0 336.524 1.489 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H]3COCCN3C3CCCC3)CC[C@@H]21 ZINC000356451670 445796699 /nfs/dbraw/zinc/79/66/99/445796699.db2.gz XFKBOXJXXOTFIP-BPQIPLTHSA-N 2 0 335.492 1.573 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H](C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000350253037 445801365 /nfs/dbraw/zinc/80/13/65/445801365.db2.gz QHHFHSGFLMRCKX-GDBMZVCRSA-N 2 0 328.501 1.373 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)C1 ZINC000350288146 445807964 /nfs/dbraw/zinc/80/79/64/445807964.db2.gz REJJFOBBTOCKNX-KZNAEPCWSA-N 2 0 339.524 1.924 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353914855 445811128 /nfs/dbraw/zinc/81/11/28/445811128.db2.gz LJMBPHLDXIAQBI-RCCFBDPRSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000356516145 445835675 /nfs/dbraw/zinc/83/56/75/445835675.db2.gz IMMRAHQGDNVLBS-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP [NH3+]Cc1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)ccn1 ZINC000361626834 445854958 /nfs/dbraw/zinc/85/49/58/445854958.db2.gz KIYGZIIUEZJUOQ-UHFFFAOYSA-N 2 0 325.416 1.330 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000364380720 445915539 /nfs/dbraw/zinc/91/55/39/445915539.db2.gz UDJOJVHCFZPMSV-MDMSPXHWSA-N 2 0 334.508 1.841 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NCCOc2cccc(F)c2)CC1 ZINC000350948836 445955554 /nfs/dbraw/zinc/95/55/54/445955554.db2.gz JBKBQLTZMSTZMC-UHFFFAOYSA-N 2 0 337.439 1.594 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000369153758 445956579 /nfs/dbraw/zinc/95/65/79/445956579.db2.gz FMCKMZBRJUMWBB-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)N1 ZINC000364841646 445960523 /nfs/dbraw/zinc/96/05/23/445960523.db2.gz AFRQAAQGMVXWOB-UHFFFAOYSA-N 2 0 348.491 1.894 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000582526801 325864564 /nfs/dbraw/zinc/86/45/64/325864564.db2.gz ILGQOTUWQFVLAU-KFWWJZLASA-N 2 0 336.505 1.907 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000582726099 325912846 /nfs/dbraw/zinc/91/28/46/325912846.db2.gz NEGCNLKZKUYZPE-HRCADAONSA-N 2 0 340.512 1.101 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361886953 446040730 /nfs/dbraw/zinc/04/07/30/446040730.db2.gz BFAAHZUAOCAQAC-JYBIWHBTSA-N 2 0 331.504 1.942 20 0 EDADRP CO[C@@H]1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000359221408 446051481 /nfs/dbraw/zinc/05/14/81/446051481.db2.gz QPWUXHYBIVVLHT-RBUKOAKNSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000583201603 326025542 /nfs/dbraw/zinc/02/55/42/326025542.db2.gz LZODINGPCSOCJD-OAHLLOKOSA-N 2 0 331.460 1.918 20 0 EDADRP c1cc2c(cc1CN1CC[NH+](CC[C@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000583815407 326145376 /nfs/dbraw/zinc/14/53/76/326145376.db2.gz KEFHZDIEQOSEOD-MRXNPFEDSA-N 2 0 331.460 1.575 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000583985054 326178269 /nfs/dbraw/zinc/17/82/69/326178269.db2.gz MDCIMEPQGKDRRR-WNYOCNMUSA-N 2 0 349.519 1.994 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](C[C@@H](O)CCOCC)CC2)CC1 ZINC000369321770 446072925 /nfs/dbraw/zinc/07/29/25/446072925.db2.gz MLZQSDHGIIKIFZ-SFHVURJKSA-N 2 0 327.513 1.266 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[C@H]1C ZINC000354351099 446134839 /nfs/dbraw/zinc/13/48/39/446134839.db2.gz JNNYLGMBWZVGJK-QAETUUGQSA-N 2 0 325.497 1.437 20 0 EDADRP O=C1C[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207271 446095951 /nfs/dbraw/zinc/09/59/51/446095951.db2.gz WGIWTAFPPJLQFX-RNJOBUHISA-N 2 0 345.365 1.092 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc(OC)c1 ZINC000361972959 446118462 /nfs/dbraw/zinc/11/84/62/446118462.db2.gz VDVYLCQDKZAQIX-SIXWZSSISA-N 2 0 336.476 1.785 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000351591465 446187901 /nfs/dbraw/zinc/18/79/01/446187901.db2.gz FGGAAVLCXJVWEV-PMACEKPBSA-N 2 0 347.503 1.010 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC[NH2+]3)[C@H](C)C2)s1 ZINC000366324774 446150682 /nfs/dbraw/zinc/15/06/82/446150682.db2.gz OLPKCQHRZJSYJR-XPKDYRNWSA-N 2 0 336.505 1.920 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000365339729 446156936 /nfs/dbraw/zinc/15/69/36/446156936.db2.gz MPGBRILSDBYBPQ-OIISXLGYSA-N 2 0 338.496 1.269 20 0 EDADRP COC1(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCOCC1 ZINC000365431772 446204358 /nfs/dbraw/zinc/20/43/58/446204358.db2.gz JGTJSCQBXSOKGD-UHFFFAOYSA-N 2 0 339.524 1.672 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000370283905 446212450 /nfs/dbraw/zinc/21/24/50/446212450.db2.gz WEIOZGPPCCJPHB-FXAWDEMLSA-N 2 0 347.503 1.863 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(CC(=O)NCC3(c4ccccc4)CC3)C2)C1 ZINC000366563586 446262923 /nfs/dbraw/zinc/26/29/23/446262923.db2.gz YNSMRHCPQOAVLP-IBGZPJMESA-N 2 0 327.472 1.862 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000366581064 446267240 /nfs/dbraw/zinc/26/72/40/446267240.db2.gz WUQKZHISYAFPIO-HKUYNNGSSA-N 2 0 348.535 1.489 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000362252537 446287698 /nfs/dbraw/zinc/28/76/98/446287698.db2.gz AVUXOQLSJHKQDC-IRXDYDNUSA-N 2 0 327.513 1.122 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000362313762 446315789 /nfs/dbraw/zinc/31/57/89/446315789.db2.gz DQZYBGKLUIJMIQ-QGZVFWFLSA-N 2 0 333.476 1.786 20 0 EDADRP C[C@@H](CNC(=O)N(C)C1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417338819 446347317 /nfs/dbraw/zinc/34/73/17/446347317.db2.gz KPRRWROBAUIPCK-HNNXBMFYSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000417479114 446352751 /nfs/dbraw/zinc/35/27/51/446352751.db2.gz JMAZPQNUUYIBDI-CRAIPNDOSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000417503084 446355683 /nfs/dbraw/zinc/35/56/83/446355683.db2.gz LLWXBEZEMLUKCR-LMMKCTJWSA-N 2 0 344.503 1.943 20 0 EDADRP Cc1cc(NC(=O)CC[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)no1 ZINC000374316228 446362969 /nfs/dbraw/zinc/36/29/69/446362969.db2.gz HKFVHOZQKISJGE-HNNXBMFYSA-N 2 0 346.475 2.508 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417547756 446363470 /nfs/dbraw/zinc/36/34/70/446363470.db2.gz UTTHYRVEQKCSQK-INIZCTEOSA-N 2 0 339.528 1.234 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000417896418 446378563 /nfs/dbraw/zinc/37/85/63/446378563.db2.gz VUJBEHOZWKPSMY-FGTMMUONSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC[N@@H+]1C ZINC000370671691 446379747 /nfs/dbraw/zinc/37/97/47/446379747.db2.gz WNOJISSVDQTFKY-HUUCEWRRSA-N 2 0 336.480 1.704 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365887919 446389265 /nfs/dbraw/zinc/38/92/65/446389265.db2.gz RBEZMKPYILCDCN-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C[NH3+])C1 ZINC000417950104 446396296 /nfs/dbraw/zinc/39/62/96/446396296.db2.gz VPZOXYGAHICADM-BSDSXHPESA-N 2 0 346.475 1.580 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)c1ccc(C[NH3+])cc1 ZINC000370770651 446427900 /nfs/dbraw/zinc/42/79/00/446427900.db2.gz DVNXHRJWRNHYNK-JLSDUUJJSA-N 2 0 331.460 1.765 20 0 EDADRP CSC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC[NH+](C)CC1 ZINC000423119489 446429352 /nfs/dbraw/zinc/42/93/52/446429352.db2.gz COBTZWUQCLDYSJ-XHSDSOJGSA-N 2 0 327.538 1.561 20 0 EDADRP O[C@@H](C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000366964513 446431243 /nfs/dbraw/zinc/43/12/43/446431243.db2.gz UWFBQJKGUCOEIT-IBGZPJMESA-N 2 0 339.524 1.268 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000370774605 446431811 /nfs/dbraw/zinc/43/18/11/446431811.db2.gz SHGKIQBQFRIYOT-YSHGAJCASA-N 2 0 345.487 1.562 20 0 EDADRP COCC[NH2+]CCNC(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000418169619 446443970 /nfs/dbraw/zinc/44/39/70/446443970.db2.gz NALYXWVTXVCLNY-UHFFFAOYSA-N 2 0 340.512 1.568 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000418171130 446445369 /nfs/dbraw/zinc/44/53/69/446445369.db2.gz PRQYRGYHVGFEQY-INIZCTEOSA-N 2 0 346.475 1.650 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000423168687 446446167 /nfs/dbraw/zinc/44/61/67/446446167.db2.gz HVRWIIRMEJBAQK-CMPLNLGQSA-N 2 0 345.256 1.937 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000418009158 446414650 /nfs/dbraw/zinc/41/46/50/446414650.db2.gz HVQDTHYHMLKBLH-WBVHZDCISA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000418016371 446416487 /nfs/dbraw/zinc/41/64/87/446416487.db2.gz QZINCVLXBNSZQP-XLMAVXFVSA-N 2 0 330.476 1.899 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C3([NH3+])Cc4ccccc4C3)CC2)CCO1 ZINC000370762901 446422100 /nfs/dbraw/zinc/42/21/00/446422100.db2.gz CNVMFPAOXBAJKD-HNNXBMFYSA-N 2 0 343.471 1.194 20 0 EDADRP COCC[NH2+]CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370764027 446422961 /nfs/dbraw/zinc/42/29/61/446422961.db2.gz UBRGECRHWLCVNM-FQEVSTJZSA-N 2 0 345.487 1.737 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000418053124 446426836 /nfs/dbraw/zinc/42/68/36/446426836.db2.gz BJWKMGPSISNFDP-CQSZACIVSA-N 2 0 328.407 1.572 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420290201 446454613 /nfs/dbraw/zinc/45/46/13/446454613.db2.gz LNRWPESVVRSEPE-IBGZPJMESA-N 3 0 346.519 1.727 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418192229 446455133 /nfs/dbraw/zinc/45/51/33/446455133.db2.gz MDJKYQSSUJZHTJ-NXWXRZEISA-N 2 0 342.487 1.900 20 0 EDADRP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H](CCO)c1ccccc1 ZINC000420298119 446459837 /nfs/dbraw/zinc/45/98/37/446459837.db2.gz GTVTZADUXCSZSQ-ZCNNSNEGSA-N 2 0 328.456 1.973 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cc1 ZINC000420299076 446461360 /nfs/dbraw/zinc/46/13/60/446461360.db2.gz GFSSLIWTQBYIAR-MSOLQXFVSA-N 2 0 345.487 1.976 20 0 EDADRP COc1ccc(CCC(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420304131 446468793 /nfs/dbraw/zinc/46/87/93/446468793.db2.gz KXZVDNRBHSRZFB-GOSISDBHSA-N 2 0 345.487 1.772 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420309161 446471990 /nfs/dbraw/zinc/47/19/90/446471990.db2.gz OJTODYCAOGZXNM-XWTMOSNGSA-N 3 0 330.476 1.075 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)N(C)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311457 446475112 /nfs/dbraw/zinc/47/51/12/446475112.db2.gz VYZNZYOUKVBFDP-HIFRSBDPSA-N 2 0 328.478 1.493 20 0 EDADRP CCN(C)C(=O)CCN(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000420318437 446483901 /nfs/dbraw/zinc/48/39/01/446483901.db2.gz WDCPRLDINJYSJM-MRXNPFEDSA-N 2 0 347.507 1.716 20 0 EDADRP CN(Cc1ccc2c(c1)OCO2)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420318333 446483928 /nfs/dbraw/zinc/48/39/28/446483928.db2.gz OMLXZJJSYSPAKU-IRXDYDNUSA-N 2 0 328.412 1.778 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323611 446489123 /nfs/dbraw/zinc/48/91/23/446489123.db2.gz GIILQHLHDNCPME-TWPTVVAISA-N 2 0 337.508 1.898 20 0 EDADRP CC[C@@H](CNC(=O)COC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000423335024 446493348 /nfs/dbraw/zinc/49/33/48/446493348.db2.gz TVDPPXUZRKAUQY-SFHVURJKSA-N 2 0 345.487 1.708 20 0 EDADRP COC(=O)c1ccc(C)c(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420325892 446493592 /nfs/dbraw/zinc/49/35/92/446493592.db2.gz CABWJXCEQRCKBX-IYBDPMFKSA-N 2 0 345.443 1.652 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423376125 446509239 /nfs/dbraw/zinc/50/92/39/446509239.db2.gz ANKQVINIHIHULA-OCCSQVGLSA-N 2 0 346.397 1.447 20 0 EDADRP CC(C)[C@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000423378862 446510814 /nfs/dbraw/zinc/51/08/14/446510814.db2.gz LEAGSAMZGPLZBH-YJBOKZPZSA-N 2 0 335.492 1.905 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418366337 446516533 /nfs/dbraw/zinc/51/65/33/446516533.db2.gz POIGWFFDQJTKHL-CGTJXYLNSA-N 2 0 348.491 1.024 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCc3sccc3C2)CC1 ZINC000420328603 446497121 /nfs/dbraw/zinc/49/71/21/446497121.db2.gz HSMRKVOKPQMTEW-QAPCUYQASA-N 2 0 349.500 1.461 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC000423396848 446516138 /nfs/dbraw/zinc/51/61/38/446516138.db2.gz BKZDUFBPUZFPIO-ZBFHGGJFSA-N 2 0 347.459 1.657 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418486075 446562777 /nfs/dbraw/zinc/56/27/77/446562777.db2.gz INRGSQXVSVLBGP-CRAIPNDOSA-N 2 0 330.476 1.887 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000433364517 446563289 /nfs/dbraw/zinc/56/32/89/446563289.db2.gz UZQSPAQFTRISFG-KRWDZBQOSA-N 2 0 333.476 1.595 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418372181 446518455 /nfs/dbraw/zinc/51/84/55/446518455.db2.gz QPHBSJRUASAERK-WOSRLPQWSA-N 2 0 338.402 1.462 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346090 446519656 /nfs/dbraw/zinc/51/96/56/446519656.db2.gz XJYNSEFNMCLGIN-HZPDHXFCSA-N 2 0 326.444 1.824 20 0 EDADRP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(OC)c1 ZINC000420345561 446519704 /nfs/dbraw/zinc/51/97/04/446519704.db2.gz VTPIEDBYSHEISO-KFWWJZLASA-N 2 0 347.459 1.962 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423418145 446526168 /nfs/dbraw/zinc/52/61/68/446526168.db2.gz UGAGSRAHUBSZGZ-ROUUACIJSA-N 2 0 345.491 1.802 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000418404398 446533281 /nfs/dbraw/zinc/53/32/81/446533281.db2.gz JHUQGXHNDIXFML-ZBFHGGJFSA-N 2 0 347.463 1.439 20 0 EDADRP CC(C)([NH3+])CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418415197 446536000 /nfs/dbraw/zinc/53/60/00/446536000.db2.gz NEPJWYURJYLXEC-IAGOWNOFSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000418497304 446567424 /nfs/dbraw/zinc/56/74/24/446567424.db2.gz WCEWTCJKXUHBGV-HUUCEWRRSA-N 2 0 348.491 1.693 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000418430882 446540516 /nfs/dbraw/zinc/54/05/16/446540516.db2.gz PLWIQIMBMXWJIB-USXIJHARSA-N 2 0 334.464 1.173 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NCCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000433163029 446540760 /nfs/dbraw/zinc/54/07/60/446540760.db2.gz WTHSPEPPSJVAFC-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433170444 446543569 /nfs/dbraw/zinc/54/35/69/446543569.db2.gz WUNZPCNACKUMME-UHFFFAOYSA-N 3 0 338.540 1.818 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000418442991 446545286 /nfs/dbraw/zinc/54/52/86/446545286.db2.gz KQNPTIGCTZJPNP-HNNXBMFYSA-N 2 0 327.517 1.219 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000418510316 446573955 /nfs/dbraw/zinc/57/39/55/446573955.db2.gz BDGOQVUHRIWXRZ-GOSISDBHSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)COC[C@@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433467303 446579818 /nfs/dbraw/zinc/57/98/18/446579818.db2.gz QKQHFWSMPBOVKC-IBGZPJMESA-N 2 0 341.540 1.510 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418621634 446619046 /nfs/dbraw/zinc/61/90/46/446619046.db2.gz SYMOGHXICUUSAF-UAGQMJEPSA-N 2 0 339.528 1.312 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC1 ZINC000418730467 446657301 /nfs/dbraw/zinc/65/73/01/446657301.db2.gz SGUAUYSIWWUHMR-GJZGRUSLSA-N 2 0 328.501 1.502 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000376703119 446662007 /nfs/dbraw/zinc/66/20/07/446662007.db2.gz ZKQDBMMWEQKZGK-ROUUACIJSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418749015 446668776 /nfs/dbraw/zinc/66/87/76/446668776.db2.gz LQCZFFBXRIIRPW-CQSZACIVSA-N 2 0 341.406 1.152 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3C[C@@]34CC[NH2+]C4)CC2)cc1 ZINC000423738628 446670041 /nfs/dbraw/zinc/67/00/41/446670041.db2.gz UZZVDLOMBVVEAS-UYAOXDASSA-N 2 0 343.471 1.729 20 0 EDADRP O=C(COC1C[NH2+]C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423743569 446673286 /nfs/dbraw/zinc/67/32/86/446673286.db2.gz KDWTYHHUKCNUPY-UHFFFAOYSA-N 2 0 331.460 1.142 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CC[C@@H]21 ZINC000418634693 446625170 /nfs/dbraw/zinc/62/51/70/446625170.db2.gz JOKMNMKWYUGQNH-QRQLOZEOSA-N 2 0 342.487 1.999 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000418633456 446625431 /nfs/dbraw/zinc/62/54/31/446625431.db2.gz IGQOHCILTNXNOI-QGZVFWFLSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(Cl)c1Cl ZINC000420451987 446627318 /nfs/dbraw/zinc/62/73/18/446627318.db2.gz IQLTVBKJUURTRF-UHFFFAOYSA-N 2 0 340.276 1.682 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418648339 446631916 /nfs/dbraw/zinc/63/19/16/446631916.db2.gz ZHIFXRIPEAEEBK-KSZLIROESA-N 2 0 328.460 1.561 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418647376 446632042 /nfs/dbraw/zinc/63/20/42/446632042.db2.gz XWWVVOSTMLVODC-GOSISDBHSA-N 2 0 346.475 1.413 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)c1ccccc1 ZINC000423758767 446687096 /nfs/dbraw/zinc/68/70/96/446687096.db2.gz NMOINSWBULIORW-LJQANCHMSA-N 2 0 338.455 1.905 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)C1(C)C ZINC000423787062 446698892 /nfs/dbraw/zinc/69/88/92/446698892.db2.gz VWYSWGRUYJFBJR-OLMMMNRUSA-N 2 0 337.508 1.993 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423801679 446699496 /nfs/dbraw/zinc/69/94/96/446699496.db2.gz NNNIAQUYFLTISO-OAFZBRQQSA-N 2 0 337.508 1.756 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)CC1 ZINC000371231374 446705104 /nfs/dbraw/zinc/70/51/04/446705104.db2.gz VWYQIHAKACBWIS-GOSISDBHSA-N 2 0 336.524 1.347 20 0 EDADRP CN(C[C@H]1CCC[NH+]1C)c1cc(N(C)C[C@H]2CCC[N@@H+]2C)ncn1 ZINC000420639073 446714924 /nfs/dbraw/zinc/71/49/24/446714924.db2.gz RFMIBXFRKQOKQB-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[N@H+]1C[C@H]2CN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@H]2C1 ZINC000375335887 446729155 /nfs/dbraw/zinc/72/91/55/446729155.db2.gz GTWIOOLGLZLNHE-ZCNNSNEGSA-N 2 0 329.488 1.771 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418828270 446735154 /nfs/dbraw/zinc/73/51/54/446735154.db2.gz WACUUUOFFRSBKA-SJORKVTESA-N 2 0 346.475 1.054 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000423875772 446737430 /nfs/dbraw/zinc/73/74/30/446737430.db2.gz CBWOSLUPUQWWHH-SFHVURJKSA-N 2 0 331.460 1.948 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423748456 446678921 /nfs/dbraw/zinc/67/89/21/446678921.db2.gz UMBFDXHNRYIMBR-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000423750584 446679917 /nfs/dbraw/zinc/67/99/17/446679917.db2.gz UGYJWVAEIVIVRC-INIZCTEOSA-N 2 0 339.867 1.609 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305638 446761983 /nfs/dbraw/zinc/76/19/83/446761983.db2.gz ZOJPOFYNRKOYQG-WMZOPIPTSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423952197 446795311 /nfs/dbraw/zinc/79/53/11/446795311.db2.gz POQXSCXNMLUHPL-RWBZWWBESA-N 2 0 330.476 1.653 20 0 EDADRP C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H]1C[NH3+] ZINC000424011239 446821984 /nfs/dbraw/zinc/82/19/84/446821984.db2.gz IVXHCWRAYXZYIQ-DLBZAZTESA-N 2 0 345.491 1.037 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)CC1 ZINC000376967340 446827447 /nfs/dbraw/zinc/82/74/47/446827447.db2.gz KXEKRTKPPIIZBA-UHFFFAOYSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+]CC1(O)CCN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000424058767 446833109 /nfs/dbraw/zinc/83/31/09/446833109.db2.gz NUDTXINEPXXKGG-KRWDZBQOSA-N 2 0 331.460 1.353 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424453242 446874195 /nfs/dbraw/zinc/87/41/95/446874195.db2.gz JYEXXNAUGMUTLR-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000454475755 446884256 /nfs/dbraw/zinc/88/42/56/446884256.db2.gz FEXJGBHWTODMRN-WMLDXEAASA-N 2 0 332.448 1.795 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000377124498 446935831 /nfs/dbraw/zinc/93/58/31/446935831.db2.gz FQGNGUOULCFZTG-RDJZCZTQSA-N 2 0 333.480 1.616 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000419121668 446936287 /nfs/dbraw/zinc/93/62/87/446936287.db2.gz SEVZVSOXDHKYPI-QGZVFWFLSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1 ZINC000454759953 446966676 /nfs/dbraw/zinc/96/66/76/446966676.db2.gz MDCSKJVIRMCKFP-RYQLBKOJSA-N 2 0 330.476 1.852 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CCO)CC1)c1ccccc1 ZINC000421019710 446990201 /nfs/dbraw/zinc/99/02/01/446990201.db2.gz QDRBLHXPFBDJJM-PKOBYXMFSA-N 2 0 347.503 1.890 20 0 EDADRP C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372099442 447000372 /nfs/dbraw/zinc/00/03/72/447000372.db2.gz UVYDISXFPHYMQE-WDSOQIARSA-N 2 0 344.503 1.561 20 0 EDADRP CCc1noc(C)c1CN1CCN(C[C@H]2CN(C)CCO2)C[C@H]1C ZINC000375877934 447117342 /nfs/dbraw/zinc/11/73/42/447117342.db2.gz UGURWMHMKZKCKT-GDBMZVCRSA-N 2 0 336.480 1.382 20 0 EDADRP CCOC(C)(C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000444131140 447078177 /nfs/dbraw/zinc/07/81/77/447078177.db2.gz XAGAYYFHYSMSJY-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP CC[C@H](CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000444187713 447091827 /nfs/dbraw/zinc/09/18/27/447091827.db2.gz SNLGJCFGIITIDH-HBFSDRIKSA-N 2 0 327.472 1.939 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000455236205 447094043 /nfs/dbraw/zinc/09/40/43/447094043.db2.gz XYTMVIUVKBNNHQ-KRWDZBQOSA-N 2 0 348.491 1.759 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1cccc(O)c1 ZINC000413443986 447184597 /nfs/dbraw/zinc/18/45/97/447184597.db2.gz RVSFZCRPRDUXGF-RBUKOAKNSA-N 2 0 345.487 1.980 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419456459 447189896 /nfs/dbraw/zinc/18/98/96/447189896.db2.gz ABHYQAPHMLMCKO-IXDOHACOSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000455662740 447200854 /nfs/dbraw/zinc/20/08/54/447200854.db2.gz VQLOSLCQBLBATF-OAHLLOKOSA-N 2 0 336.484 1.640 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000372639340 447201526 /nfs/dbraw/zinc/20/15/26/447201526.db2.gz JQDHGVBIXCLSDA-QGZVFWFLSA-N 2 0 333.480 1.583 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000372732807 447254314 /nfs/dbraw/zinc/25/43/14/447254314.db2.gz RVTWMUMWXCJCHA-INIZCTEOSA-N 2 0 349.475 1.156 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000377579370 447218930 /nfs/dbraw/zinc/21/89/30/447218930.db2.gz CSMMODYJWDUBBF-JKSUJKDBSA-N 2 0 343.431 1.039 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419513965 447235608 /nfs/dbraw/zinc/23/56/08/447235608.db2.gz NGOBVKVFRCAIGD-OWCLPIDISA-N 2 0 328.501 1.203 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372716464 447242337 /nfs/dbraw/zinc/24/23/37/447242337.db2.gz OYQKJFCRLVBMJL-HZPDHXFCSA-N 2 0 344.459 1.660 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000368980885 447244212 /nfs/dbraw/zinc/24/42/12/447244212.db2.gz MVADVBFEHKJRGZ-IRXDYDNUSA-N 2 0 338.496 1.103 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379681206 447453895 /nfs/dbraw/zinc/45/38/95/447453895.db2.gz PQQHWMHOZZIOFH-WBVHZDCISA-N 2 0 331.460 1.534 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])c1 ZINC000415471304 447463327 /nfs/dbraw/zinc/46/33/27/447463327.db2.gz PQESVIXFOIFZFT-MRXNPFEDSA-N 2 0 332.448 1.417 20 0 EDADRP COCC1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000390006664 447489410 /nfs/dbraw/zinc/48/94/10/447489410.db2.gz XAAXCNXMXKQFPV-WMZOPIPTSA-N 2 0 345.487 1.639 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCC)C2)[C@@H](C)C1 ZINC000495382546 447500168 /nfs/dbraw/zinc/50/01/68/447500168.db2.gz QIJQEKYIAVMNNI-ULQDDVLXSA-N 2 0 341.496 1.944 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878660 447504047 /nfs/dbraw/zinc/50/40/47/447504047.db2.gz VDDITWTYFBYNMP-RTBURBONSA-N 2 0 344.459 1.125 20 0 EDADRP C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000390911487 447506411 /nfs/dbraw/zinc/50/64/11/447506411.db2.gz XGUKNAFIZPDKCA-MJGOQNOKSA-N 2 0 331.460 1.393 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390953202 447507565 /nfs/dbraw/zinc/50/75/65/447507565.db2.gz SZXQAXOEQCSHND-SFHVURJKSA-N 2 0 332.492 1.151 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390991641 447508661 /nfs/dbraw/zinc/50/86/61/447508661.db2.gz MTEHPEKXQJHODO-IPQPSQTFSA-N 2 0 343.471 1.677 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH3+])ccc1C[NH+](C)C ZINC000415480723 447471317 /nfs/dbraw/zinc/47/13/17/447471317.db2.gz IDZVOFIGTRWEIU-UHFFFAOYSA-N 2 0 334.464 1.438 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458759164 447472330 /nfs/dbraw/zinc/47/23/30/447472330.db2.gz CTGVRXAJLLXXGZ-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP c1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000401157160 447575541 /nfs/dbraw/zinc/57/55/41/447575541.db2.gz YRWNEIQNCCYHSC-MTQWCTHYSA-N 2 0 329.488 1.865 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420006648 447541381 /nfs/dbraw/zinc/54/13/81/447541381.db2.gz ZLGVAWIPPSEGNM-KRWDZBQOSA-N 2 0 348.491 1.196 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])C(C)C ZINC000420027124 447553994 /nfs/dbraw/zinc/55/39/94/447553994.db2.gz CDDXFKCHWRSGHU-HZPDHXFCSA-N 2 0 340.512 1.197 20 0 EDADRP CCN1CCOC[C@@H]1C(=O)NCC[N@H+](CC)CCC(F)(F)F ZINC000427253970 447569287 /nfs/dbraw/zinc/56/92/87/447569287.db2.gz UZPRJYSKMVNNCK-GFCCVEGCSA-N 2 0 325.375 1.098 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457558191 447597103 /nfs/dbraw/zinc/59/71/03/447597103.db2.gz PSUNZBHPUOBCCJ-UHFFFAOYSA-N 2 0 336.480 1.433 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000416828463 447693757 /nfs/dbraw/zinc/69/37/57/447693757.db2.gz SGJQRRGWVRARFK-CPUCHLNUSA-N 2 0 334.464 1.867 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000416904332 447703535 /nfs/dbraw/zinc/70/35/35/447703535.db2.gz DMEVTEJROMNWNF-NVXWUHKLSA-N 2 0 334.464 1.821 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)c1ccc(F)cc1 ZINC000422591086 447659590 /nfs/dbraw/zinc/65/95/90/447659590.db2.gz BLRZLXWTRGXSGJ-MRXNPFEDSA-N 2 0 334.439 1.966 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC(C)CC1 ZINC000458048768 447708559 /nfs/dbraw/zinc/70/85/59/447708559.db2.gz OSISOZAZXKIDGT-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@@H]([NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000416816787 447691041 /nfs/dbraw/zinc/69/10/41/447691041.db2.gz HJJGBKGXKJBFEW-QZTJIDSGSA-N 2 0 346.475 1.869 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)[C@@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000416941883 447718773 /nfs/dbraw/zinc/71/87/73/447718773.db2.gz KPWWUCYXBNWIED-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422710282 447723266 /nfs/dbraw/zinc/72/32/66/447723266.db2.gz FOWYWFSJBVUZMP-FUHWJXTLSA-N 2 0 336.524 1.299 20 0 EDADRP COCCS(=O)(=O)c1ccc(CN[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000429428721 447748134 /nfs/dbraw/zinc/74/81/34/447748134.db2.gz USULHSCXRDKXCI-YOEHRIQHSA-N 2 0 340.489 1.537 20 0 EDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786616 447750225 /nfs/dbraw/zinc/75/02/25/447750225.db2.gz KWCIKHXHOWQXSN-VXGBXAGGSA-N 2 0 332.366 1.934 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000429443006 447750188 /nfs/dbraw/zinc/75/01/88/447750188.db2.gz MHRQEZYQYDXTNH-INIZCTEOSA-N 2 0 333.501 1.917 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422822704 447759610 /nfs/dbraw/zinc/75/96/10/447759610.db2.gz BMISFYWSGVKJGZ-CABCVRRESA-N 2 0 336.480 1.881 20 0 EDADRP [NH3+][C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000422930392 447774908 /nfs/dbraw/zinc/77/49/08/447774908.db2.gz UDEJNTPGONDMNI-DLBZAZTESA-N 2 0 335.473 1.677 20 0 EDADRP O=C(NCCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960673 447781532 /nfs/dbraw/zinc/78/15/32/447781532.db2.gz XFKYALFEDQIHRN-OKZBNKHCSA-N 2 0 349.450 1.692 20 0 EDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430579236 447781716 /nfs/dbraw/zinc/78/17/16/447781716.db2.gz BVWHNDFYNPERGC-SNVBAGLBSA-N 2 0 326.363 1.070 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423099078 447804489 /nfs/dbraw/zinc/80/44/89/447804489.db2.gz AGDJNHODPVHYKP-JSGCOSHPSA-N 2 0 345.896 1.644 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](N1CCOCC1)C(F)(F)F ZINC000423114405 447808795 /nfs/dbraw/zinc/80/87/95/447808795.db2.gz VOSXKMUJBLBEOC-ABAIWWIYSA-N 2 0 346.397 1.762 20 0 EDADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496653344 447841462 /nfs/dbraw/zinc/84/14/62/447841462.db2.gz BWZIMSRKCUTPQM-CXAGYDPISA-N 2 0 338.452 1.485 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496702656 447852062 /nfs/dbraw/zinc/85/20/62/447852062.db2.gz PNFHUIJHEQIRRT-PBHICJAKSA-N 2 0 329.485 1.678 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](CCCC[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@@H]1C ZINC000530343170 447865290 /nfs/dbraw/zinc/86/52/90/447865290.db2.gz WPYKJYGWWMZMNE-GEEKYZPCSA-N 2 0 340.464 1.533 20 0 EDADRP CN1C[C@H](CN2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)OC1=O ZINC000496766396 447894903 /nfs/dbraw/zinc/89/49/03/447894903.db2.gz KHMMJEAEQCRMDD-RCCFBDPRSA-N 2 0 329.444 1.891 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000569843154 447905092 /nfs/dbraw/zinc/90/50/92/447905092.db2.gz MOMPFBTXWZZAPM-FUHWJXTLSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000569957133 447927106 /nfs/dbraw/zinc/92/71/06/447927106.db2.gz MFXLYVQWZGLAMO-VYDXJSESSA-N 2 0 334.464 1.163 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000524366413 447928096 /nfs/dbraw/zinc/92/80/96/447928096.db2.gz ZYGADJNFXIWXBL-QZTJIDSGSA-N 2 0 330.476 1.186 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+]3CCC(C)(C)C3)cn2)CC1 ZINC000553244973 447981880 /nfs/dbraw/zinc/98/18/80/447981880.db2.gz JWSHEONWABFIDW-UHFFFAOYSA-N 2 0 345.491 1.182 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000576463518 448061386 /nfs/dbraw/zinc/06/13/86/448061386.db2.gz OFZFDZWBEITNFX-IRXDYDNUSA-N 2 0 347.507 1.229 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000576492712 448068990 /nfs/dbraw/zinc/06/89/90/448068990.db2.gz YNKGBPUIEDNRKC-IKGGRYGDSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H](Oc1ccc(F)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357595 448069519 /nfs/dbraw/zinc/06/95/19/448069519.db2.gz GWPKLZHMEIISEA-AWEZNQCLSA-N 2 0 325.428 1.545 20 0 EDADRP CCOc1ccc([C@@H]2C[C@H]2[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000576512484 448070649 /nfs/dbraw/zinc/07/06/49/448070649.db2.gz XGHUZONTONFUOT-NZSAHSFTSA-N 2 0 333.476 1.139 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000526088569 448097060 /nfs/dbraw/zinc/09/70/60/448097060.db2.gz GLYNDDKFYYJCKA-OAHLLOKOSA-N 2 0 346.475 1.187 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000570798151 448066539 /nfs/dbraw/zinc/06/65/39/448066539.db2.gz UAXMKIOLHDKZBB-OQSMONGASA-N 2 0 336.524 1.284 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000571438718 448155048 /nfs/dbraw/zinc/15/50/48/448155048.db2.gz DZWKKEFICSWUSD-IRXDYDNUSA-N 2 0 337.439 1.077 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882836 448143211 /nfs/dbraw/zinc/14/32/11/448143211.db2.gz KOQFVRMUHRKREN-LKGOPFMKSA-N 2 0 337.508 1.844 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000576835697 448151644 /nfs/dbraw/zinc/15/16/44/448151644.db2.gz KOSYWDVPXHWFKQ-IBGZPJMESA-N 2 0 347.503 1.757 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673170 448183952 /nfs/dbraw/zinc/18/39/52/448183952.db2.gz XOLCUNHISBPTGL-UONOGXRCSA-N 2 0 339.480 1.297 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264956 448249267 /nfs/dbraw/zinc/24/92/67/448249267.db2.gz IRPLMGAEJZDFMS-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577384569 448283228 /nfs/dbraw/zinc/28/32/28/448283228.db2.gz CFMRRSRYQYBCBB-RBUKOAKNSA-N 2 0 347.503 1.982 20 0 EDADRP C[NH+](Cc1cncc(C[N@@H+](C)CC2(O)CCC2)c1)CC1(O)CCC1 ZINC000515292265 448286422 /nfs/dbraw/zinc/28/64/22/448286422.db2.gz ZAOCIEIBFAYDPJ-UHFFFAOYSA-N 2 0 333.476 1.775 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000582661049 448303400 /nfs/dbraw/zinc/30/34/00/448303400.db2.gz OIEHGKDEIYIGSY-FUHWJXTLSA-N 2 0 336.476 1.894 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000493014581 448348493 /nfs/dbraw/zinc/34/84/93/448348493.db2.gz IDYIYESABQYKTG-TWVNLXSWSA-N 2 0 331.460 1.512 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000515839724 448355236 /nfs/dbraw/zinc/35/52/36/448355236.db2.gz PUORVZWBADUMRX-HUUCEWRRSA-N 2 0 325.840 1.437 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000515867923 448361508 /nfs/dbraw/zinc/36/15/08/448361508.db2.gz ULEARPPMRLTYAH-OAHLLOKOSA-N 2 0 325.522 1.854 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000566209480 448416146 /nfs/dbraw/zinc/41/61/46/448416146.db2.gz WZXVDZRZWALBAG-QRQLOZEOSA-N 2 0 343.471 1.618 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn([C@H]4CCC[NH2+]C4)c3)CC[C@@H]21 ZINC000572759588 448458375 /nfs/dbraw/zinc/45/83/75/448458375.db2.gz LCOWKKMJHRMFGO-PVAVHDDUSA-N 2 0 331.464 1.364 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000578130673 448468069 /nfs/dbraw/zinc/46/80/69/448468069.db2.gz WTKDNIZLIMEDKO-CABCVRRESA-N 2 0 348.491 1.568 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000578320525 448514616 /nfs/dbraw/zinc/51/46/16/448514616.db2.gz ZZISMECALWFUHZ-DOTOQJQBSA-N 2 0 331.464 1.366 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000578326739 448518292 /nfs/dbraw/zinc/51/82/92/448518292.db2.gz DBSCYKXSNZPCFY-HNNXBMFYSA-N 2 0 346.475 1.839 20 0 EDADRP Cc1ccccc1[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000566639494 448527232 /nfs/dbraw/zinc/52/72/32/448527232.db2.gz QRJHKPDZQVOWFL-SFHVURJKSA-N 2 0 331.460 1.361 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000572943334 448500249 /nfs/dbraw/zinc/50/02/49/448500249.db2.gz DHVYYMFAYAQKTQ-AEFFLSMTSA-N 2 0 346.475 1.520 20 0 EDADRP CC1CCC([NH+]2CCN(C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)CC1 ZINC000578500429 448561970 /nfs/dbraw/zinc/56/19/70/448561970.db2.gz HQLOSXXEZGHJCP-LXPRWKDFSA-N 2 0 336.524 1.380 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000584467640 448537988 /nfs/dbraw/zinc/53/79/88/448537988.db2.gz XWRQTIVQTDNVJH-HZPDHXFCSA-N 2 0 348.495 1.354 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000517165543 448547007 /nfs/dbraw/zinc/54/70/07/448547007.db2.gz WFUHMYCRZLEVHT-FQEVSTJZSA-N 2 0 344.503 1.405 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000584728056 448612435 /nfs/dbraw/zinc/61/24/35/448612435.db2.gz AYOUBCWBSUURDV-QGZVFWFLSA-N 2 0 343.475 1.347 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+]CCC(=O)NC(N)=O ZINC000567103930 448613898 /nfs/dbraw/zinc/61/38/98/448613898.db2.gz YVDOTKWMCRHAJC-CQSZACIVSA-N 2 0 332.448 1.736 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000573308996 448592547 /nfs/dbraw/zinc/59/25/47/448592547.db2.gz ZGJVTWJTPITZAR-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC[C@H](O)CN2CCOCC2)C1 ZINC000573317412 448595063 /nfs/dbraw/zinc/59/50/63/448595063.db2.gz HMPQYHQPXCTRBH-BBWFWOEESA-N 2 0 327.513 1.026 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000578647791 448603200 /nfs/dbraw/zinc/60/32/00/448603200.db2.gz HTHAQDBSMNQQIW-MJGOQNOKSA-N 2 0 346.519 1.856 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000518123243 448647448 /nfs/dbraw/zinc/64/74/48/448647448.db2.gz DYEOBVZSGVDKOC-ZWKOTPCHSA-N 2 0 330.476 1.752 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000573557140 448656923 /nfs/dbraw/zinc/65/69/23/448656923.db2.gz SOKANLFPHOJKLM-YESZJQIVSA-N 2 0 348.495 1.121 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@]12C[C@H]1CC[NH2+]2 ZINC000573593973 448666720 /nfs/dbraw/zinc/66/67/20/448666720.db2.gz ADJSTRASFSJDSY-AOIWGVFYSA-N 2 0 329.444 1.146 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H]([NH2+]CC2(C[NH2+][C@H]3[C@@H](C)O[C@@H](C)[C@@H]3C)COC2)[C@H]1C ZINC000528770020 448667872 /nfs/dbraw/zinc/66/78/72/448667872.db2.gz YMBQZSQZOWUOFC-ICDRHKIBSA-N 2 0 340.508 1.806 20 0 EDADRP COCCN(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000579254417 448755526 /nfs/dbraw/zinc/75/55/26/448755526.db2.gz JBGPIGGVVVRCIS-LTFXXXRZSA-N 2 0 342.524 1.577 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000519292825 448757022 /nfs/dbraw/zinc/75/70/22/448757022.db2.gz JPLOOFCJUNRAPH-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000529303196 448812777 /nfs/dbraw/zinc/81/27/77/448812777.db2.gz BMDOZIGPWDYDMV-QZTJIDSGSA-N 2 0 332.492 1.799 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000529336272 448829900 /nfs/dbraw/zinc/82/99/00/448829900.db2.gz AFJDAPBRYRTUDB-HCXYKTFWSA-N 2 0 342.487 1.756 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000568249400 448844701 /nfs/dbraw/zinc/84/47/01/448844701.db2.gz PDYBGEUHGMTHSW-AOIWGVFYSA-N 2 0 333.476 1.928 20 0 EDADRP COc1ccc(COC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000519816267 448849618 /nfs/dbraw/zinc/84/96/18/448849618.db2.gz CPVLRWCMSBHPEI-SJLPKXTDSA-N 2 0 334.460 1.647 20 0 EDADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)c(C)nn1 ZINC000546795601 448850719 /nfs/dbraw/zinc/85/07/19/448850719.db2.gz YRSWCLQXOSKBET-KRWDZBQOSA-N 2 0 347.507 1.836 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592558578 448900486 /nfs/dbraw/zinc/90/04/86/448900486.db2.gz BYODQBCVPQUGBA-GOEBONIOSA-N 2 0 339.480 1.251 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000568728268 448909075 /nfs/dbraw/zinc/90/90/75/448909075.db2.gz JZEQUUNXMNGXER-MSOLQXFVSA-N 2 0 331.460 1.765 20 0 EDADRP CC[NH2+]CCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000520769426 448927895 /nfs/dbraw/zinc/92/78/95/448927895.db2.gz UYHABWYTHYKNQK-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)n1 ZINC000529713966 448933176 /nfs/dbraw/zinc/93/31/76/448933176.db2.gz BPRMKDZRSNBGRS-MRXNPFEDSA-N 2 0 333.480 1.582 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)COCc1ccccc1)N1CC[NH+](C)CC1 ZINC000574512678 448890691 /nfs/dbraw/zinc/89/06/91/448890691.db2.gz RWFKVDDRYWFMNS-PMACEKPBSA-N 2 0 349.519 1.426 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000574516725 448891106 /nfs/dbraw/zinc/89/11/06/448891106.db2.gz SEGFAXDWKYQNCN-GOSISDBHSA-N 2 0 342.487 1.896 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000579849511 448895930 /nfs/dbraw/zinc/89/59/30/448895930.db2.gz ZMELOQRTDLNKHO-ABHNRTSZSA-N 2 0 327.513 1.122 20 0 EDADRP CC1CC[NH+](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000574860985 448972309 /nfs/dbraw/zinc/97/23/09/448972309.db2.gz QHCOCURUPAFJKH-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP Cc1cn2c(n1)[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000574967560 448999965 /nfs/dbraw/zinc/99/99/65/448999965.db2.gz QIXXZWQHGFKTSA-HOTGVXAUSA-N 2 0 349.479 1.215 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000569352558 449010586 /nfs/dbraw/zinc/01/05/86/449010586.db2.gz UOTOQRXGZCXZJU-YFVGIKETSA-N 2 0 327.513 1.167 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000582171037 449028194 /nfs/dbraw/zinc/02/81/94/449028194.db2.gz BVXGLRSZZVDOBI-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000575235256 449066008 /nfs/dbraw/zinc/06/60/08/449066008.db2.gz WUXLDDIMYGXLJN-GOSISDBHSA-N 2 0 347.507 1.311 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(OC)ccn1 ZINC000604745585 449288647 /nfs/dbraw/zinc/28/86/47/449288647.db2.gz KXSZOCLDTDUKAG-HNNXBMFYSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000594133415 449364686 /nfs/dbraw/zinc/36/46/86/449364686.db2.gz OTVOERBLXHKCFF-IKGGRYGDSA-N 2 0 339.528 1.184 20 0 EDADRP CS[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH+]1CCCC1 ZINC000602136791 449375007 /nfs/dbraw/zinc/37/50/07/449375007.db2.gz UKHKQMFFWKAOCW-CVEARBPZSA-N 2 0 337.533 1.901 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000616981359 449415220 /nfs/dbraw/zinc/41/52/20/449415220.db2.gz IBYPNTVXHPPPFH-KRWDZBQOSA-N 2 0 331.464 1.439 20 0 EDADRP CCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000596604883 449570880 /nfs/dbraw/zinc/57/08/80/449570880.db2.gz MCUHIIALLANJHZ-OAHLLOKOSA-N 2 0 342.553 1.940 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000596649177 449586495 /nfs/dbraw/zinc/58/64/95/449586495.db2.gz CEIORCKWRZSEQI-LSDHHAIUSA-N 2 0 325.497 1.770 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C(=O)OC)oc2C)CC1 ZINC000594616662 449594940 /nfs/dbraw/zinc/59/49/40/449594940.db2.gz WBPTZLIYDMSZJP-CQSZACIVSA-N 2 0 337.464 1.738 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614439099 449610979 /nfs/dbraw/zinc/61/09/79/449610979.db2.gz ZKWIAFBIDZABOF-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000598961363 449671470 /nfs/dbraw/zinc/67/14/70/449671470.db2.gz SHWOBYRJDIFSIS-CYBMUJFWSA-N 2 0 336.480 1.534 20 0 EDADRP COC(=O)CC1CCC([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000599028609 449703227 /nfs/dbraw/zinc/70/32/27/449703227.db2.gz XUNUEQWSYMZGCA-GTPINHCMSA-N 2 0 325.497 1.581 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CCC[NH+]1C1CC1 ZINC000617703195 449749157 /nfs/dbraw/zinc/74/91/57/449749157.db2.gz DGPKPUHOQMSNAJ-RBUKOAKNSA-N 2 0 343.471 1.496 20 0 EDADRP CC1CC[NH+](CC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000617702596 449749423 /nfs/dbraw/zinc/74/94/23/449749423.db2.gz SZBSLCLXHIHBNV-IBGZPJMESA-N 2 0 345.487 1.601 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000594923423 449808813 /nfs/dbraw/zinc/80/88/13/449808813.db2.gz GUGMSRPYTZCYFN-IAOVAPTHSA-N 2 0 347.459 1.265 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)C1CC1 ZINC000612901519 449933463 /nfs/dbraw/zinc/93/34/63/449933463.db2.gz GCVXXYJEAPVOTO-MJGOQNOKSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000615089360 449951149 /nfs/dbraw/zinc/95/11/49/449951149.db2.gz JBPOCYFPJQYVOZ-HOCLYGCPSA-N 2 0 341.521 1.135 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000612874321 449921602 /nfs/dbraw/zinc/92/16/02/449921602.db2.gz CPQREGZFKWHGQZ-SFHVURJKSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000623061807 450386583 /nfs/dbraw/zinc/38/65/83/450386583.db2.gz FRUPRTBYQFPGRL-KRWDZBQOSA-N 2 0 331.464 1.260 20 0 EDADRP Cc1nnc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)s1 ZINC000623069046 450390056 /nfs/dbraw/zinc/39/00/56/450390056.db2.gz SVQYIUUCDRZBLO-UHFFFAOYSA-N 2 0 345.472 1.570 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)CC1(C)C ZINC000623375168 450508486 /nfs/dbraw/zinc/50/84/86/450508486.db2.gz AVPICWFQAOTYGO-UONOGXRCSA-N 2 0 336.432 1.617 20 0 EDADRP CCC[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)CCC)[C@@H](C)[C@H]1C ZINC000620747315 450538116 /nfs/dbraw/zinc/53/81/16/450538116.db2.gz POEQFXJVNKEQNG-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP CC[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000620903200 450558196 /nfs/dbraw/zinc/55/81/96/450558196.db2.gz INAICUGTDRGDEP-ZWKOTPCHSA-N 2 0 344.503 1.798 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2COCCN2C)CC1 ZINC000623711631 450569655 /nfs/dbraw/zinc/56/96/55/450569655.db2.gz KKCXFNNADLMCSO-LJQANCHMSA-N 2 0 346.519 1.639 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH2+]1 ZINC000621151831 450599485 /nfs/dbraw/zinc/59/94/85/450599485.db2.gz JITQKOGRVGWTAT-ROUUACIJSA-N 2 0 330.476 1.750 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000627386189 450694526 /nfs/dbraw/zinc/69/45/26/450694526.db2.gz INVIFJVFPZTFFD-HNNXBMFYSA-N 2 0 346.475 1.135 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114176 450709681 /nfs/dbraw/zinc/70/96/81/450709681.db2.gz VNHJTRHKAKDAEG-HNNXBMFYSA-N 2 0 329.452 1.167 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624113886 450710081 /nfs/dbraw/zinc/71/00/81/450710081.db2.gz OYAIOJVMZOJZBF-OAHLLOKOSA-N 2 0 329.452 1.165 20 0 EDADRP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCC[C@H]4[C@H]4CCC[NH2+]4)C3)nn12 ZINC000629523954 450725266 /nfs/dbraw/zinc/72/52/66/450725266.db2.gz OPDHXBRDXHBSON-CAOSSQGBSA-N 2 0 341.463 1.213 20 0 EDADRP CCO[C@H](C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CC1 ZINC000629553713 450733778 /nfs/dbraw/zinc/73/37/78/450733778.db2.gz XCCKYYSEQDKBHQ-FUHWJXTLSA-N 2 0 347.507 1.814 20 0 EDADRP CCN(CC[NH3+])CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000629557692 450734460 /nfs/dbraw/zinc/73/44/60/450734460.db2.gz CVFXBSKWSMCKFA-UHFFFAOYSA-N 2 0 332.492 1.310 20 0 EDADRP COc1ccccc1N1CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000629559415 450735649 /nfs/dbraw/zinc/73/56/49/450735649.db2.gz QTQCKBHUXZTKTI-DLBZAZTESA-N 2 0 333.476 1.568 20 0 EDADRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1ccc(Br)cc1 ZINC000629579629 450747673 /nfs/dbraw/zinc/74/76/73/450747673.db2.gz VNCJIVCEOXDXTJ-UHFFFAOYSA-N 2 0 344.253 1.685 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000629584242 450750816 /nfs/dbraw/zinc/75/08/16/450750816.db2.gz MZIFGWQTKSQSOF-VQTJNVASSA-N 2 0 347.503 1.190 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000631774772 450766111 /nfs/dbraw/zinc/76/61/11/450766111.db2.gz FMZKITSKJMCIAI-UHFFFAOYSA-N 2 0 345.484 1.471 20 0 EDADRP C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)C[NH+]1CCCCC1 ZINC000631778016 450768141 /nfs/dbraw/zinc/76/81/41/450768141.db2.gz RANXINCBZXJYTM-INIZCTEOSA-N 2 0 331.526 1.514 20 0 EDADRP COc1ccc(CC[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1O ZINC000629652571 450770342 /nfs/dbraw/zinc/77/03/42/450770342.db2.gz HTJRSXWSCHAILM-NSHDSACASA-N 2 0 332.404 1.466 20 0 EDADRP c1c([C@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000629649791 450770351 /nfs/dbraw/zinc/77/03/51/450770351.db2.gz GMHWPSMAWBXHMP-INIZCTEOSA-N 2 0 331.464 1.345 20 0 EDADRP COC1(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647828 450770885 /nfs/dbraw/zinc/77/08/85/450770885.db2.gz BIIIWTDEHGVGMP-JKSUJKDBSA-N 2 0 336.480 1.166 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000621690400 450834975 /nfs/dbraw/zinc/83/49/75/450834975.db2.gz UDWZHARUIQUTHT-YLJYHZDGSA-N 2 0 342.487 1.782 20 0 EDADRP C[NH+](C)CC1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000635312639 450835522 /nfs/dbraw/zinc/83/55/22/450835522.db2.gz LGSTUSQGAKVHOZ-UHFFFAOYSA-N 2 0 344.503 1.392 20 0 EDADRP C[N@H+](CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)CC(C)(C)C ZINC000635337625 450861709 /nfs/dbraw/zinc/86/17/09/450861709.db2.gz KQPMEEGJASONFU-UHFFFAOYSA-N 2 0 347.507 1.428 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000635467235 450966726 /nfs/dbraw/zinc/96/67/26/450966726.db2.gz KHCRPIJPWUNFMD-HIFRSBDPSA-N 2 0 332.448 1.273 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000626922236 451006104 /nfs/dbraw/zinc/00/61/04/451006104.db2.gz ROFLXBKGVSUIRV-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000626934508 451016876 /nfs/dbraw/zinc/01/68/76/451016876.db2.gz GXKRJDLVDWWCAH-HZPDHXFCSA-N 2 0 328.501 1.232 20 0 EDADRP [NH3+]CCCOCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934788 451017604 /nfs/dbraw/zinc/01/76/04/451017604.db2.gz NQQTZJXURBOEFD-KRWDZBQOSA-N 2 0 334.464 1.488 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[NH+]1CCCC1 ZINC000635528514 451024350 /nfs/dbraw/zinc/02/43/50/451024350.db2.gz UITQORWVFLUZDZ-ZOBUZTSGSA-N 2 0 344.459 1.588 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626977409 451045931 /nfs/dbraw/zinc/04/59/31/451045931.db2.gz ZAMMSJKFIJEBCT-OLZOCXBDSA-N 2 0 338.418 1.887 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626966465 451038760 /nfs/dbraw/zinc/03/87/60/451038760.db2.gz VRAUJANPDQDGDJ-DOTOQJQBSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626966460 451039101 /nfs/dbraw/zinc/03/91/01/451039101.db2.gz VPOFINAPMYIKQO-AVGNSLFASA-N 2 0 338.418 1.885 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122426 451052847 /nfs/dbraw/zinc/05/28/47/451052847.db2.gz UVLSDJATICFNFT-JKSUJKDBSA-N 2 0 329.510 1.218 20 0 EDADRP C[C@@H](CNC(=O)C[N@H+](C)CCc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000635561197 451059089 /nfs/dbraw/zinc/05/90/89/451059089.db2.gz PLCWQSPAONHPPZ-SFHVURJKSA-N 2 0 346.519 1.161 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009298 451073688 /nfs/dbraw/zinc/07/36/88/451073688.db2.gz FPDCTLJYRKLCGS-SJLPKXTDSA-N 2 0 348.491 1.432 20 0 EDADRP C[C@@H](NC(=O)NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009344 451073810 /nfs/dbraw/zinc/07/38/10/451073810.db2.gz GRIVMDBMKDQRNI-AEFFLSMTSA-N 2 0 348.491 1.562 20 0 EDADRP C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011836 451075892 /nfs/dbraw/zinc/07/58/92/451075892.db2.gz KZOCUBNZTXMIJT-LSDHHAIUSA-N 2 0 338.496 1.447 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000627033343 451091377 /nfs/dbraw/zinc/09/13/77/451091377.db2.gz HKJXIHKYIYERHA-DOTOQJQBSA-N 2 0 336.480 1.651 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1COCC[NH2+]1)[NH+](C)C ZINC000627033491 451091599 /nfs/dbraw/zinc/09/15/99/451091599.db2.gz LAKXHBVSVCKJSO-ZOBUZTSGSA-N 2 0 334.464 1.274 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000627158075 451154679 /nfs/dbraw/zinc/15/46/79/451154679.db2.gz IJQFNYJHNXWALQ-LTIDMASMSA-N 2 0 334.439 1.792 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627093777 451121564 /nfs/dbraw/zinc/12/15/64/451121564.db2.gz SMQUXUFTJBBOSW-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H](C)CCC[NH3+])CC1 ZINC000627096052 451122089 /nfs/dbraw/zinc/12/20/89/451122089.db2.gz PLJNFUYZWNHBJY-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000627105404 451125290 /nfs/dbraw/zinc/12/52/90/451125290.db2.gz HXSTTZJLAMFWOY-DHGKCCLASA-N 2 0 348.413 1.543 20 0 EDADRP CC[N@H+](CCCNC(=O)NC[C@@H]1COCC[NH2+]1)C1CCCCC1 ZINC000627109668 451127077 /nfs/dbraw/zinc/12/70/77/451127077.db2.gz ZICLXNAMVNPTEH-OAHLLOKOSA-N 2 0 326.485 1.319 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627115431 451131407 /nfs/dbraw/zinc/13/14/07/451131407.db2.gz ASFXGKOEHHVMLO-RWMBFGLXSA-N 2 0 336.402 1.639 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000635660868 451146706 /nfs/dbraw/zinc/14/67/06/451146706.db2.gz QIXPKNZGCDYHNJ-KRWDZBQOSA-N 2 0 337.508 1.727 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCN([C@@H](C)c2ccsc2)CC1 ZINC000627172737 451163795 /nfs/dbraw/zinc/16/37/95/451163795.db2.gz BELUNSQSJCZAQO-AWEZNQCLSA-N 2 0 340.493 1.372 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000627171832 451164083 /nfs/dbraw/zinc/16/40/83/451164083.db2.gz JOVSYQPYMCWWGN-UHFFFAOYSA-N 2 0 342.528 1.764 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627195578 451180070 /nfs/dbraw/zinc/18/00/70/451180070.db2.gz CGVYFGNHDAJVSA-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750433 451218387 /nfs/dbraw/zinc/21/83/87/451218387.db2.gz RYAYZWYOPJUXNO-IRXDYDNUSA-N 2 0 338.540 1.449 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000635757158 451221931 /nfs/dbraw/zinc/22/19/31/451221931.db2.gz POJSXGNRASXEFC-UHFFFAOYSA-N 2 0 341.496 1.058 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000638083090 451245804 /nfs/dbraw/zinc/24/58/04/451245804.db2.gz JCWBNKGUBCZWSW-NWGLXNPWSA-N 2 0 331.460 1.705 20 0 EDADRP C[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000638088124 451253347 /nfs/dbraw/zinc/25/33/47/451253347.db2.gz ZLAJZPTZEIMDST-DNVCBOLYSA-N 2 0 331.460 1.305 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638098024 451262644 /nfs/dbraw/zinc/26/26/44/451262644.db2.gz CTPZRWVFFORXDI-CGTJXYLNSA-N 2 0 349.475 1.146 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000638103074 451270930 /nfs/dbraw/zinc/27/09/30/451270930.db2.gz YZCIZHDIGLDKBW-RTBURBONSA-N 2 0 344.503 1.533 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638104428 451271442 /nfs/dbraw/zinc/27/14/42/451271442.db2.gz ZQCGKEXMFRPGGM-RHSMWYFYSA-N 2 0 339.443 1.718 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC000635827533 451276391 /nfs/dbraw/zinc/27/63/91/451276391.db2.gz ATWQMWFUUOZZNF-FUHWJXTLSA-N 2 0 330.476 1.704 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638109937 451276535 /nfs/dbraw/zinc/27/65/35/451276535.db2.gz XWJWFNBBSPEVJD-AEFFLSMTSA-N 2 0 335.448 1.723 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638110865 451278735 /nfs/dbraw/zinc/27/87/35/451278735.db2.gz KCQOUUMPOVGRFG-INIZCTEOSA-N 2 0 339.443 1.529 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638122518 451292643 /nfs/dbraw/zinc/29/26/43/451292643.db2.gz QLHMHKFSLWYAQA-UHFFFAOYSA-N 2 0 339.505 1.888 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000638124876 451295228 /nfs/dbraw/zinc/29/52/28/451295228.db2.gz XJBNVNDLPJFQHT-YCXXCVGLSA-N 2 0 331.460 1.697 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000635853521 451301183 /nfs/dbraw/zinc/30/11/83/451301183.db2.gz IFOHBIGWAJMMDS-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000635853549 451302305 /nfs/dbraw/zinc/30/23/05/451302305.db2.gz ISLLZVULFFAPSI-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)nc2)CC1 ZINC000638138655 451315467 /nfs/dbraw/zinc/31/54/67/451315467.db2.gz FCZSJRJUZPWLEK-CQSZACIVSA-N 2 0 329.448 1.598 20 0 EDADRP [NH3+][C@@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000638155709 451325450 /nfs/dbraw/zinc/32/54/50/451325450.db2.gz XWUQJRWFRSOQGT-OTWHNJEPSA-N 2 0 327.472 1.998 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000630773231 451397308 /nfs/dbraw/zinc/39/73/08/451397308.db2.gz IKFWYCTYLWSGSP-ZWKOTPCHSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638307347 451420947 /nfs/dbraw/zinc/42/09/47/451420947.db2.gz DBHZDIBQMKOJGE-DSLXNQLJSA-N 2 0 345.487 1.862 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634642133 451433790 /nfs/dbraw/zinc/43/37/90/451433790.db2.gz FLBUNVPSKUPDRN-IXDOHACOSA-N 2 0 328.497 1.237 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000638353063 451454292 /nfs/dbraw/zinc/45/42/92/451454292.db2.gz SYBIHCGZCKBRJS-IAGOWNOFSA-N 2 0 331.460 1.932 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C3CC(n4cccn4)C3)ccn2)CC1 ZINC000638369617 451467123 /nfs/dbraw/zinc/46/71/23/451467123.db2.gz DLMQAOHBSNBHBO-UHFFFAOYSA-N 2 0 326.448 1.523 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000638370931 451468436 /nfs/dbraw/zinc/46/84/36/451468436.db2.gz NVLXAKAQTGGBOZ-UHFFFAOYSA-N 2 0 345.534 1.997 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])c1 ZINC000638373884 451470816 /nfs/dbraw/zinc/47/08/16/451470816.db2.gz VJEVZKAKAZKIAL-OALUTQOASA-N 2 0 339.439 1.650 20 0 EDADRP C[C@H](CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F)[NH+](C)C ZINC000638409795 451495402 /nfs/dbraw/zinc/49/54/02/451495402.db2.gz SFUAGZWFEJONRR-SNVBAGLBSA-N 2 0 344.410 1.210 20 0 EDADRP OCC[N@@H+]1CCCC[C@H]1CNC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721009 451501749 /nfs/dbraw/zinc/50/17/49/451501749.db2.gz SJZPVOJYPKUVHB-VQTJNVASSA-N 2 0 347.503 1.060 20 0 EDADRP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000636099997 451515036 /nfs/dbraw/zinc/51/50/36/451515036.db2.gz BTSZLUMWCUCKFN-YESZJQIVSA-N 2 0 337.533 1.947 20 0 EDADRP Cc1cccc(C[N@H+]2CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C2)c1 ZINC000632678506 451515258 /nfs/dbraw/zinc/51/52/58/451515258.db2.gz IEFDTWBMOMWISM-KRWDZBQOSA-N 2 0 339.505 1.440 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccccc1OCCCCO ZINC000638530560 451561451 /nfs/dbraw/zinc/56/14/51/451561451.db2.gz VWJGOCAAUUFKAJ-KRWDZBQOSA-N 2 0 335.492 1.563 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[C@H]1C(F)(F)F ZINC000638555392 451574757 /nfs/dbraw/zinc/57/47/57/451574757.db2.gz IBGZDGJGOZUIMG-OPRDCNLKSA-N 2 0 329.313 1.217 20 0 EDADRP CC(=O)Nc1cccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000631069800 451567567 /nfs/dbraw/zinc/56/75/67/451567567.db2.gz IAYYPYKFHQALGP-SFHVURJKSA-N 2 0 330.476 1.903 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638557222 451575538 /nfs/dbraw/zinc/57/55/38/451575538.db2.gz HIKWNYRHJVBWBQ-JSGCOSHPSA-N 2 0 329.366 1.787 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000638559334 451576640 /nfs/dbraw/zinc/57/66/40/451576640.db2.gz PWPCYIGPQQINOE-UBHSHLNASA-N 2 0 347.356 1.854 20 0 EDADRP COCCc1ncc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000631114399 451591315 /nfs/dbraw/zinc/59/13/15/451591315.db2.gz UTBALTLQURKKKE-AWEZNQCLSA-N 2 0 326.510 1.448 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)CC[N@@H+]1C ZINC000632819319 451597576 /nfs/dbraw/zinc/59/75/76/451597576.db2.gz WVARCZWXTGUSGQ-LSDHHAIUSA-N 2 0 332.448 1.469 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000638621835 451615554 /nfs/dbraw/zinc/61/55/54/451615554.db2.gz YXQQLYWGHJEKIX-QGZVFWFLSA-N 3 0 327.513 1.048 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCN1 ZINC000634975193 451632699 /nfs/dbraw/zinc/63/26/99/451632699.db2.gz SXEQPYOZAWOFQE-GOSISDBHSA-N 2 0 345.487 1.962 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCOC1 ZINC000638718605 451665028 /nfs/dbraw/zinc/66/50/28/451665028.db2.gz JDLRFJZJAXLQLE-QUCCMNQESA-N 2 0 348.487 1.784 20 0 EDADRP CS(=O)(=O)[C@@H]1CCCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010044 451648535 /nfs/dbraw/zinc/64/85/35/451648535.db2.gz PUBNUWSUSWZVFY-LSDHHAIUSA-N 2 0 338.477 1.259 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000632950282 451665895 /nfs/dbraw/zinc/66/58/95/451665895.db2.gz XQNQRBHWIQCYJO-INIZCTEOSA-N 2 0 344.463 1.526 20 0 EDADRP CC[C@@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[NH+](CC)CC ZINC000638783475 451689835 /nfs/dbraw/zinc/68/98/35/451689835.db2.gz MCKRYAGCTLMRHG-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H](C[NH3+])C3CCCC3)cn2)CC1 ZINC000632960074 451669520 /nfs/dbraw/zinc/66/95/20/451669520.db2.gz BITRDXRFUKWMHI-MRXNPFEDSA-N 2 0 334.468 1.789 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000638901975 451725532 /nfs/dbraw/zinc/72/55/32/451725532.db2.gz NAFKYLSAJXVXKM-KRWDZBQOSA-N 2 0 337.464 1.553 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138557 451738643 /nfs/dbraw/zinc/73/86/43/451738643.db2.gz QLGAKEUYQLRYTD-XYJFISCASA-N 2 0 348.491 1.352 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000637138554 451738984 /nfs/dbraw/zinc/73/89/84/451738984.db2.gz QLGAKEUYQLRYTD-NUJGCVRESA-N 2 0 348.491 1.352 20 0 EDADRP Cc1noc(C)c1[C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986539 451746987 /nfs/dbraw/zinc/74/69/87/451746987.db2.gz SRCFAETUUFLMAJ-LLVKDONJSA-N 2 0 329.404 1.838 20 0 EDADRP C[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC[NH2+]CC1 ZINC000638986898 451746996 /nfs/dbraw/zinc/74/69/96/451746996.db2.gz GXSIMYRKAZHGGU-AWEZNQCLSA-N 3 0 331.464 1.456 20 0 EDADRP O=C(CCOCC(F)(F)F)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988354 451747744 /nfs/dbraw/zinc/74/77/44/451747744.db2.gz WNCXJGGXTNBWDP-UHFFFAOYSA-N 2 0 332.326 1.399 20 0 EDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000639020512 451753025 /nfs/dbraw/zinc/75/30/25/451753025.db2.gz AKHZFHGYKVXZIP-YOEHRIQHSA-N 2 0 339.443 1.585 20 0 EDADRP CC[NH2+]Cc1ccn(Cc2cn(C[C@H]3CCCC[N@@H+]3C(C)C)nn2)n1 ZINC000641167797 451767906 /nfs/dbraw/zinc/76/79/06/451767906.db2.gz ZAZMICCEXWATEL-GOSISDBHSA-N 2 0 345.495 1.895 20 0 EDADRP CO[C@H](C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1)C1CC1 ZINC000639170110 451784812 /nfs/dbraw/zinc/78/48/12/451784812.db2.gz UOIKNZMUERVFDI-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP CO[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000639266933 451801787 /nfs/dbraw/zinc/80/17/87/451801787.db2.gz UOBGZWYWNZDTQI-RBUKOAKNSA-N 2 0 348.487 1.655 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000639307733 451817831 /nfs/dbraw/zinc/81/78/31/451817831.db2.gz GIHRVXNCXBVUHX-LJQANCHMSA-N 2 0 328.460 1.709 20 0 EDADRP CCOC[C@@H](O)C[NH2+]CC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000644531401 451845653 /nfs/dbraw/zinc/84/56/53/451845653.db2.gz TVNCCEKYZIFVLB-SFHVURJKSA-N 2 0 336.476 1.894 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)C1C[NH+](C3CCCCC3)C1)CCO2 ZINC000649128962 451863554 /nfs/dbraw/zinc/86/35/54/451863554.db2.gz GGAOEHUDXSBHJO-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)cc1 ZINC000644562407 451863642 /nfs/dbraw/zinc/86/36/42/451863642.db2.gz OZRVUFYPAVZZPF-QGZVFWFLSA-N 2 0 335.492 1.350 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000644562415 451863675 /nfs/dbraw/zinc/86/36/75/451863675.db2.gz PXNUYSOBWDSOEL-GOSISDBHSA-N 2 0 335.492 1.180 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562371 451863694 /nfs/dbraw/zinc/86/36/94/451863694.db2.gz LXVLRDNSONLRNN-KRWDZBQOSA-N 2 0 335.492 1.350 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)CCO1 ZINC000646846097 451883037 /nfs/dbraw/zinc/88/30/37/451883037.db2.gz NXPXKKSRKCXGSE-LRDDRELGSA-N 2 0 331.416 1.683 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639473490 451884960 /nfs/dbraw/zinc/88/49/60/451884960.db2.gz KAOMBKGWIXUPNH-KRWDZBQOSA-N 2 0 328.497 1.331 20 0 EDADRP O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000651521982 451887412 /nfs/dbraw/zinc/88/74/12/451887412.db2.gz MFJIWQRLOLKUQZ-IAGOWNOFSA-N 2 0 346.475 1.522 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000644601518 451887732 /nfs/dbraw/zinc/88/77/32/451887732.db2.gz RTHYWPWUDAXOPL-FHWLQOOXSA-N 2 0 336.451 1.697 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000653415340 451927730 /nfs/dbraw/zinc/92/77/30/451927730.db2.gz WIBAJLSWIXJMIO-MRXNPFEDSA-N 2 0 342.447 1.753 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733436 451941941 /nfs/dbraw/zinc/94/19/41/451941941.db2.gz NEGUXNXWIMRXTA-NVXWUHKLSA-N 2 0 346.475 1.183 20 0 EDADRP COc1ccc([C@@H](CNC(=O)COC2(C)C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000649277245 451948113 /nfs/dbraw/zinc/94/81/13/451948113.db2.gz PLHAVEKILKFALJ-QGZVFWFLSA-N 2 0 347.459 1.327 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649290373 451966485 /nfs/dbraw/zinc/96/64/85/451966485.db2.gz BFOUJEHJZJTPRP-QGZVFWFLSA-N 2 0 349.475 1.259 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)cnn1C ZINC000649292847 451969057 /nfs/dbraw/zinc/96/90/57/451969057.db2.gz GOJSHPJHDZLEOI-DTDBQYNISA-N 2 0 347.507 1.411 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649303001 451980202 /nfs/dbraw/zinc/98/02/02/451980202.db2.gz NIPNFHBVSSWCMC-CABCVRRESA-N 2 0 325.403 1.520 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649308866 451986457 /nfs/dbraw/zinc/98/64/57/451986457.db2.gz DIKZHSNGLDTSBC-CABCVRRESA-N 2 0 337.489 1.312 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000649310952 451987521 /nfs/dbraw/zinc/98/75/21/451987521.db2.gz PLAYUWOQFMMJQG-HXUWFJFHSA-N 2 0 344.503 1.712 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649329708 452010600 /nfs/dbraw/zinc/01/06/00/452010600.db2.gz CPPXAGCQLRLCQH-QRQLOZEOSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CCOCC1)c1ccccc1 ZINC000649335093 452016224 /nfs/dbraw/zinc/01/62/24/452016224.db2.gz DTYIDNJCRIWAFR-HPBDAGMYSA-N 2 0 343.471 1.753 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC[C@H]2CCC[NH+](C)[C@@H]2c2cccs2)C1 ZINC000649341010 452021353 /nfs/dbraw/zinc/02/13/53/452021353.db2.gz HHGAMUDHJREITQ-UKPHBRMFSA-N 2 0 336.505 1.280 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(N)CC[NH+](C)C1 ZINC000649345413 452025942 /nfs/dbraw/zinc/02/59/42/452025942.db2.gz ZNPKJQKNNMBQKA-QUCCMNQESA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345710 452026091 /nfs/dbraw/zinc/02/60/91/452026091.db2.gz LSBROGBIBFNFSJ-HNAYVOBHSA-N 2 0 346.475 1.379 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cnnn3-c3ccccc3)C2)CC1 ZINC000651709396 452027364 /nfs/dbraw/zinc/02/73/64/452027364.db2.gz VPSMWTNJSBUKNG-MRXNPFEDSA-N 2 0 340.475 1.525 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346625 452028836 /nfs/dbraw/zinc/02/88/36/452028836.db2.gz WRFUHAWZWQWXFT-AWEZNQCLSA-N 2 0 333.423 1.237 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649350617 452033777 /nfs/dbraw/zinc/03/37/77/452033777.db2.gz SJOPAUWUFXXLRX-CZUORRHYSA-N 2 0 338.883 1.482 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000649350206 452033871 /nfs/dbraw/zinc/03/38/71/452033871.db2.gz OVRYXOJFAJKIDH-LJQANCHMSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)C1CC[NH2+]CC1 ZINC000649351558 452035245 /nfs/dbraw/zinc/03/52/45/452035245.db2.gz AUBUIHUEVIVNOC-HNNXBMFYSA-N 2 0 345.491 1.798 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651732345 452043468 /nfs/dbraw/zinc/04/34/68/452043468.db2.gz SAEXAZLHTKALCV-UHFFFAOYSA-N 2 0 329.448 1.592 20 0 EDADRP C[C@@]1(O)CCC[N@H+](Cc2cncc(C[NH+]3CCC[C@](C)(O)C3)c2)C1 ZINC000649404984 452070436 /nfs/dbraw/zinc/07/04/36/452070436.db2.gz YIXFALUIVJETJJ-KDURUIRLSA-N 2 0 333.476 1.775 20 0 EDADRP CC1(C)C[NH2+]CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000649409991 452073633 /nfs/dbraw/zinc/07/36/33/452073633.db2.gz GNKCXFVPMWGQRG-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP [NH3+]C1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000637797917 452087622 /nfs/dbraw/zinc/08/76/22/452087622.db2.gz HPBLFVBVLJWCGG-UHFFFAOYSA-N 2 0 330.476 1.320 20 0 EDADRP COc1cc(OC)c(CN(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000651808256 452092056 /nfs/dbraw/zinc/09/20/56/452092056.db2.gz KIUHQZMRZFAZBY-UHFFFAOYSA-N 2 0 327.444 1.768 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)C1 ZINC000637824389 452102139 /nfs/dbraw/zinc/10/21/39/452102139.db2.gz ZACDHVAVBYTPQG-YTQUADARSA-N 2 0 327.472 1.952 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000639766060 452107246 /nfs/dbraw/zinc/10/72/46/452107246.db2.gz LMGZOMSRSYGQTJ-HXUWFJFHSA-N 2 0 345.487 1.350 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000639766056 452107478 /nfs/dbraw/zinc/10/74/78/452107478.db2.gz LMGZOMSRSYGQTJ-FQEVSTJZSA-N 2 0 345.487 1.350 20 0 EDADRP CN(C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)[C@H]1CC[NH2+]C1 ZINC000637834940 452108227 /nfs/dbraw/zinc/10/82/27/452108227.db2.gz BWWJBPINMYTZQG-GBESFXJTSA-N 2 0 327.472 1.965 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637844882 452113251 /nfs/dbraw/zinc/11/32/51/452113251.db2.gz RZXQVWAIZWLJJX-JTQLQIEISA-N 2 0 344.410 1.243 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(c2nccnc2N2CC[C@@H](C[NH+](C)C)C2)C1 ZINC000645040442 452128684 /nfs/dbraw/zinc/12/86/84/452128684.db2.gz OYMIBMJYFHYTQL-HOTGVXAUSA-N 2 0 332.496 1.252 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000643451973 452230168 /nfs/dbraw/zinc/23/01/68/452230168.db2.gz IBOOSSXOQLEUEC-LTIDMASMSA-N 2 0 332.444 1.745 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462709 452234972 /nfs/dbraw/zinc/23/49/72/452234972.db2.gz HOQXNVVIZPJIIB-KZNAEPCWSA-N 2 0 330.476 1.353 20 0 EDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479027 452243083 /nfs/dbraw/zinc/24/30/83/452243083.db2.gz MYLBRWVEYRYHGI-FRQCXROJSA-N 2 0 331.460 1.993 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CC1(C)C ZINC000641787903 452262471 /nfs/dbraw/zinc/26/24/71/452262471.db2.gz WHTPSDUSVLHXFR-MSOLQXFVSA-N 2 0 338.540 1.245 20 0 EDADRP CC[NH+](CC)CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659423300 452264163 /nfs/dbraw/zinc/26/41/63/452264163.db2.gz HFCZDXLYUMESRC-IAGOWNOFSA-N 2 0 336.455 1.912 20 0 EDADRP FC(F)(F)c1ccnc(NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647548855 452277929 /nfs/dbraw/zinc/27/79/29/452277929.db2.gz XOZSKGPSXLKIAW-SDDRHHMPSA-N 2 0 329.370 1.885 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659437875 452284010 /nfs/dbraw/zinc/28/40/10/452284010.db2.gz KROKTHXPGRLJCF-UHFFFAOYSA-N 2 0 338.521 1.481 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659438432 452286674 /nfs/dbraw/zinc/28/66/74/452286674.db2.gz XAPYCGWWPNZRDR-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP CCC1(CC)[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C[C@@H]1OC ZINC000643539709 452299092 /nfs/dbraw/zinc/29/90/92/452299092.db2.gz UOGYFOJOWDHZFG-CVYDXHPNSA-N 2 0 337.508 1.817 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H]([NH3+])C(C)C)[C@@H](C)C1 ZINC000659455806 452307650 /nfs/dbraw/zinc/30/76/50/452307650.db2.gz DKFFIGGBYHPLLV-BBWFWOEESA-N 2 0 342.528 1.796 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])c2cccs2)CC1 ZINC000638049688 452318735 /nfs/dbraw/zinc/31/87/35/452318735.db2.gz GMQVOOMCLYGLJS-OFQRWUPVSA-N 2 0 337.489 1.754 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@@H](C)O1 ZINC000652123868 452319281 /nfs/dbraw/zinc/31/92/81/452319281.db2.gz CYJGVTKAFAUASU-CBZIJGRNSA-N 2 0 338.496 1.256 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050475 452321012 /nfs/dbraw/zinc/32/10/12/452321012.db2.gz OMXJYOSZXBOTNF-LJQANCHMSA-N 2 0 346.519 1.828 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000638049788 452321515 /nfs/dbraw/zinc/32/15/15/452321515.db2.gz NRGDNIXWJHTTKM-SJLPKXTDSA-N 2 0 329.444 1.996 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659468537 452325814 /nfs/dbraw/zinc/32/58/14/452325814.db2.gz BPPYFTXTYMLLLZ-WAZRQNRBSA-N 2 0 328.460 1.782 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000659468627 452326487 /nfs/dbraw/zinc/32/64/87/452326487.db2.gz BZQQHNBGLBYOQX-XLNGHYISSA-N 2 0 334.439 1.730 20 0 EDADRP C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000638052888 452329422 /nfs/dbraw/zinc/32/94/22/452329422.db2.gz CCPHFRNURICUTL-IBGZPJMESA-N 2 0 331.460 1.667 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000659481447 452340667 /nfs/dbraw/zinc/34/06/67/452340667.db2.gz YXJPOXGVHAOHHZ-QZTJIDSGSA-N 2 0 348.491 1.426 20 0 EDADRP CC1CC[NH+](CCCNC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638056191 452341122 /nfs/dbraw/zinc/34/11/22/452341122.db2.gz WXHUPEDZTUAWAP-IBGZPJMESA-N 2 0 346.519 1.684 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)C1 ZINC000652152488 452344613 /nfs/dbraw/zinc/34/46/13/452344613.db2.gz ORCIITIYCTTWJI-ANQUJSFKSA-N 2 0 336.480 1.151 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CN1C1CC1 ZINC000657593998 452359052 /nfs/dbraw/zinc/35/90/52/452359052.db2.gz GDVBSOZNNPKNRZ-MOXGXCLJSA-N 2 0 329.488 1.968 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000638064118 452363510 /nfs/dbraw/zinc/36/35/10/452363510.db2.gz IEZGLULJFYYOEL-UHFFFAOYSA-N 2 0 325.416 1.461 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659506494 452372020 /nfs/dbraw/zinc/37/20/20/452372020.db2.gz CKYAZFCOGBHDRU-IKGGRYGDSA-N 2 0 334.439 1.713 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC1CC[NH2+]CC1)CCC(F)(F)F ZINC000652182261 452376878 /nfs/dbraw/zinc/37/68/78/452376878.db2.gz HRILPZQUMZTQDV-UHFFFAOYSA-N 2 0 338.418 1.950 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659513909 452378157 /nfs/dbraw/zinc/37/81/57/452378157.db2.gz MCMHCZUWNHYDDJ-WMZOPIPTSA-N 2 0 346.475 1.052 20 0 EDADRP [NH3+]C[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638071108 452378397 /nfs/dbraw/zinc/37/83/97/452378397.db2.gz FFLYSWQCOLVFTO-PKOBYXMFSA-N 2 0 331.460 1.523 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659515126 452380922 /nfs/dbraw/zinc/38/09/22/452380922.db2.gz AWCBMHLTISXBTP-IAGOWNOFSA-N 2 0 334.464 1.036 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000659519761 452382638 /nfs/dbraw/zinc/38/26/38/452382638.db2.gz LBEATDBELBRHBY-SJORKVTESA-N 2 0 332.448 1.239 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000638075093 452387828 /nfs/dbraw/zinc/38/78/28/452387828.db2.gz BVZWSEHVURPQOD-RKVPGOIHSA-N 2 0 349.475 1.701 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000638076254 452388662 /nfs/dbraw/zinc/38/86/62/452388662.db2.gz XKEQVRBGFJXDJN-WMZOPIPTSA-N 2 0 331.460 1.652 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2)CCO1 ZINC000659557682 452414486 /nfs/dbraw/zinc/41/44/86/452414486.db2.gz QOUBYEOWFHYKQR-QGZVFWFLSA-N 2 0 334.464 1.398 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240393 452427377 /nfs/dbraw/zinc/42/73/77/452427377.db2.gz ZIGHUVXCNBHGBD-OAHLLOKOSA-N 2 0 326.485 1.258 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CCCC1 ZINC000659572362 452428153 /nfs/dbraw/zinc/42/81/53/452428153.db2.gz BRILWAMTPFQGPH-UHFFFAOYSA-N 2 0 338.496 1.544 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659577891 452432322 /nfs/dbraw/zinc/43/23/22/452432322.db2.gz ZAKIAQXDRVSGDZ-BSDSXHPESA-N 2 0 328.460 1.526 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582054 452438341 /nfs/dbraw/zinc/43/83/41/452438341.db2.gz OTZVGPPPBHBHKT-NSNWQYSKSA-N 2 0 334.439 1.650 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659589175 452445520 /nfs/dbraw/zinc/44/55/20/452445520.db2.gz LSMUKVOGDKXADI-LAVFITLUSA-N 2 0 346.450 1.665 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000655680957 452506494 /nfs/dbraw/zinc/50/64/94/452506494.db2.gz QSVPRIAZUOAZDW-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)N3CCc4ccccc43)C2)C1 ZINC000652345493 452520484 /nfs/dbraw/zinc/52/04/84/452520484.db2.gz CONZGAVRXOARGQ-LMMKCTJWSA-N 2 0 343.471 1.794 20 0 EDADRP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN(Cc2ccccc2)C1 ZINC000647792961 452524656 /nfs/dbraw/zinc/52/46/56/452524656.db2.gz GMMHBLVMTIPEPX-NMLBUPMWSA-N 2 0 329.488 1.601 20 0 EDADRP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350086 452524944 /nfs/dbraw/zinc/52/49/44/452524944.db2.gz FIUHTNMUZJNDEA-SOUVJXGZSA-N 2 0 330.494 1.030 20 0 EDADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647804556 452536873 /nfs/dbraw/zinc/53/68/73/452536873.db2.gz URBNTTXEDPWSBH-KZNAEPCWSA-N 2 0 328.460 1.932 20 0 EDADRP COc1ccc(C[C@H]2CCCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000652358415 452539004 /nfs/dbraw/zinc/53/90/04/452539004.db2.gz BHYPOLZDZBMAPR-GOSISDBHSA-N 2 0 345.487 1.914 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000657834835 452556107 /nfs/dbraw/zinc/55/61/07/452556107.db2.gz MJNCXDFXBCDOBV-SFHVURJKSA-N 2 0 342.491 1.464 20 0 EDADRP O=C(CC[NH+]1CCC(c2ccc(F)c(F)c2)CC1)N1CC[NH2+]CC1 ZINC000647884389 452623119 /nfs/dbraw/zinc/62/31/19/452623119.db2.gz JXGNDNKYAONWPM-UHFFFAOYSA-N 2 0 337.414 1.966 20 0 EDADRP COc1ccc2c(c1)OC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000647909419 452649298 /nfs/dbraw/zinc/64/92/98/452649298.db2.gz MCQRQZUPXNEMJV-INIZCTEOSA-N 2 0 334.460 1.824 20 0 EDADRP CC1([NH3+])CC[NH+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)CC1 ZINC000647927085 452663897 /nfs/dbraw/zinc/66/38/97/452663897.db2.gz YMQLGECEQYRUPZ-UHFFFAOYSA-N 2 0 344.459 1.955 20 0 EDADRP CC1(O)CCN(c2cc(NC[C@H]3CCC[N@@H+]3CCCO)ncn2)CC1 ZINC000663948619 452666553 /nfs/dbraw/zinc/66/65/53/452666553.db2.gz BCGGNVXWSGTPNM-OAHLLOKOSA-N 2 0 349.479 1.087 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000655911066 452667608 /nfs/dbraw/zinc/66/76/08/452667608.db2.gz ADPWPUUUWFQUBZ-CHWSQXEVSA-N 2 0 338.418 1.932 20 0 EDADRP C[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000655916735 452677615 /nfs/dbraw/zinc/67/76/15/452677615.db2.gz HKAAEWREMXLEOA-DGCLKSJQSA-N 2 0 332.370 1.696 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000655956095 452732779 /nfs/dbraw/zinc/73/27/79/452732779.db2.gz KSKXJLCARXDFHJ-CQSZACIVSA-N 2 0 346.475 1.978 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655959573 452741256 /nfs/dbraw/zinc/74/12/56/452741256.db2.gz UUFRTINCQNIFEY-DLBZAZTESA-N 2 0 344.459 1.478 20 0 EDADRP C[C@@H]1CN(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C[C@@H](C)O1 ZINC000659860828 452742845 /nfs/dbraw/zinc/74/28/45/452742845.db2.gz GHXFUEJISGVPLC-QZTJIDSGSA-N 2 0 339.524 1.530 20 0 EDADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000658140757 452748833 /nfs/dbraw/zinc/74/88/33/452748833.db2.gz VBVSGJQEEAMQLK-PMACEKPBSA-N 2 0 348.487 1.784 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655975318 452756203 /nfs/dbraw/zinc/75/62/03/452756203.db2.gz NPAFKIFLSAHCRY-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000655975314 452756892 /nfs/dbraw/zinc/75/68/92/452756892.db2.gz NPAFKIFLSAHCRY-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000652625051 452784093 /nfs/dbraw/zinc/78/40/93/452784093.db2.gz UUPCUQNQGWLWCE-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@]2(CO)COCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658288933 452831589 /nfs/dbraw/zinc/83/15/89/452831589.db2.gz HRFDUUUJEXWEQY-RLLQIKCJSA-N 2 0 347.503 1.322 20 0 EDADRP Cn1ccnc1CN(C(=O)CC[C@@H]1CCC[NH2+]1)[C@H]1CC12CC[NH2+]CC2 ZINC000648118579 452836092 /nfs/dbraw/zinc/83/60/92/452836092.db2.gz RNWIMWDPPJSLEW-HOTGVXAUSA-N 2 0 345.491 1.423 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726532 452840913 /nfs/dbraw/zinc/84/09/13/452840913.db2.gz ULTXGCQYAOGOKL-ZWKOTPCHSA-N 2 0 343.475 1.930 20 0 EDADRP [NH3+]CCOCC(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000648153113 452864418 /nfs/dbraw/zinc/86/44/18/452864418.db2.gz IQIFWQJDYQRDQM-UHFFFAOYSA-N 2 0 339.867 1.740 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000648169723 452880219 /nfs/dbraw/zinc/88/02/19/452880219.db2.gz OPSLBNGYNWZIJO-KRWDZBQOSA-N 2 0 347.459 1.327 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)c2ccc(C[NH3+])o2)c2ccccc2)CC1 ZINC000645903982 452889409 /nfs/dbraw/zinc/88/94/09/452889409.db2.gz QEJOVPJCZOFYGR-QGZVFWFLSA-N 2 0 342.443 1.457 20 0 EDADRP C[C@@H]1SCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000645910463 452894257 /nfs/dbraw/zinc/89/42/57/452894257.db2.gz OTIPZXGTFUUARK-GJZGRUSLSA-N 2 0 330.542 1.795 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CCN(C4CC4)CC3)cn21 ZINC000645932481 452912327 /nfs/dbraw/zinc/91/23/27/452912327.db2.gz NGFDPJFELHTMAA-UHFFFAOYSA-N 2 0 327.432 1.675 20 0 EDADRP C[C@@H](CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000664293480 452971062 /nfs/dbraw/zinc/97/10/62/452971062.db2.gz YUOWJRURQDUEJF-SZMVWBNQSA-N 2 0 348.491 1.213 20 0 EDADRP Nc1nc(N2CCC[C@@H]([NH+]3CCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000656230732 452976315 /nfs/dbraw/zinc/97/63/15/452976315.db2.gz OJZUQEPWUCYIIG-CQSZACIVSA-N 2 0 331.464 1.629 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC2CC[NH2+]CC2)c1 ZINC000650764424 452979984 /nfs/dbraw/zinc/97/99/84/452979984.db2.gz YFQHVLRPEHQILM-ZDUSSCGKSA-N 2 0 325.478 1.635 20 0 EDADRP C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000662256194 452986484 /nfs/dbraw/zinc/98/64/84/452986484.db2.gz UDGOIXSYTGGZEA-DLBZAZTESA-N 2 0 329.444 1.635 20 0 EDADRP C([C@@H]1CCC2(C[NH2+]C2)O1)[N@@H+]1CCC[C@H](c2nnc3n2CCCCC3)C1 ZINC000662276460 453001520 /nfs/dbraw/zinc/00/15/20/453001520.db2.gz JBIXPKRWDCSCFN-HOTGVXAUSA-N 2 0 345.491 1.705 20 0 EDADRP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)n1 ZINC000662286164 453010245 /nfs/dbraw/zinc/01/02/45/453010245.db2.gz OWNVLNPKEDMFAC-KBMXLJTQSA-N 2 0 346.475 1.969 20 0 EDADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291550 453015091 /nfs/dbraw/zinc/01/50/91/453015091.db2.gz HZWFPGGWEAMIDK-QGZVFWFLSA-N 2 0 333.480 1.090 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000662299136 453020703 /nfs/dbraw/zinc/02/07/03/453020703.db2.gz ZXXJUODNHAJEML-OTWHNJEPSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666633520 453025771 /nfs/dbraw/zinc/02/57/71/453025771.db2.gz HYBZKEIOGGBPDQ-HNNXBMFYSA-N 2 0 346.475 1.712 20 0 EDADRP Cn1cc(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)cn1 ZINC000662327316 453046695 /nfs/dbraw/zinc/04/66/95/453046695.db2.gz NEQJJLOHGSLFSS-UHFFFAOYSA-N 2 0 328.464 1.990 20 0 EDADRP CO[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCOC1 ZINC000660128044 453055500 /nfs/dbraw/zinc/05/55/00/453055500.db2.gz SBQCUQJQFTZCAO-FSGLHJGXSA-N 2 0 337.508 1.281 20 0 EDADRP CC(=O)N1CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC12CCCCC2 ZINC000660152391 453085099 /nfs/dbraw/zinc/08/50/99/453085099.db2.gz AQFREPGNMOQTRE-QGZVFWFLSA-N 2 0 325.497 1.555 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000646083669 453095342 /nfs/dbraw/zinc/09/53/42/453095342.db2.gz XBXUXPOMSYCFMA-MSOLQXFVSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000666753995 453118505 /nfs/dbraw/zinc/11/85/05/453118505.db2.gz DSTMFFDKGFBRBV-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@H]2CNC(=O)C2)CC1 ZINC000660190623 453123082 /nfs/dbraw/zinc/12/30/82/453123082.db2.gz GTIFEKFQEMYAFC-GJZGRUSLSA-N 2 0 348.466 1.754 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000664473732 453125316 /nfs/dbraw/zinc/12/53/16/453125316.db2.gz AJIBABUVXZGXGS-OIISXLGYSA-N 2 0 340.512 1.394 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000662434399 453142460 /nfs/dbraw/zinc/14/24/60/453142460.db2.gz BBGWDKMOMFOSBT-GDBMZVCRSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NCC1([NH+]2CCCC2)CCOCC1 ZINC000662447422 453154090 /nfs/dbraw/zinc/15/40/90/453154090.db2.gz VTVCLKCVOPYXRC-GOSISDBHSA-N 2 0 343.471 1.982 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662459392 453168225 /nfs/dbraw/zinc/16/82/25/453168225.db2.gz YNOPTLFRZSIODC-AWEZNQCLSA-N 2 0 334.468 1.197 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000660300423 453190339 /nfs/dbraw/zinc/19/03/39/453190339.db2.gz MWYAAGGDWQFJTA-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP CCN1C[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000648746858 453231284 /nfs/dbraw/zinc/23/12/84/453231284.db2.gz NVRBJBKSQKCTNW-KRWDZBQOSA-N 2 0 331.460 1.872 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000646264233 453269222 /nfs/dbraw/zinc/26/92/22/453269222.db2.gz MTDCJYLNUSGYFO-DSLXNQLJSA-N 2 0 345.487 1.780 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653105945 453287559 /nfs/dbraw/zinc/28/75/59/453287559.db2.gz NVERYNLGOZDJOL-SJORKVTESA-N 2 0 348.491 1.227 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666977576 453296745 /nfs/dbraw/zinc/29/67/45/453296745.db2.gz DCJJTPGXTFHBNH-INIZCTEOSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666978408 453298973 /nfs/dbraw/zinc/29/89/73/453298973.db2.gz ZFIFHZOUZDPJNI-INIZCTEOSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653112857 453299983 /nfs/dbraw/zinc/29/99/83/453299983.db2.gz LEGGVYNAKNUQKL-ZWKOTPCHSA-N 2 0 332.492 1.294 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113784 453300644 /nfs/dbraw/zinc/30/06/44/453300644.db2.gz NTSFWPWRRYWMHO-DWRORGKVSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653114098 453302176 /nfs/dbraw/zinc/30/21/76/453302176.db2.gz YAMLQFFCLLHKNC-ZWKOTPCHSA-N 2 0 332.492 1.527 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1cccs1 ZINC000653121996 453312636 /nfs/dbraw/zinc/31/26/36/453312636.db2.gz IEOYFMFVLVDGRJ-OAOQPFQOSA-N 2 0 349.500 1.483 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653122822 453315231 /nfs/dbraw/zinc/31/52/31/453315231.db2.gz FLODUXUIECZXOW-MOPGFXCFSA-N 2 0 346.519 1.636 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000662613050 453332526 /nfs/dbraw/zinc/33/25/26/453332526.db2.gz ALRNLPSCQNMHET-UHFFFAOYSA-N 2 0 343.471 1.911 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653183754 453373091 /nfs/dbraw/zinc/37/30/91/453373091.db2.gz JJQFNTIFJQBDFF-JJXSEGSLSA-N 2 0 325.497 1.756 20 0 EDADRP Cc1nn(CC2CC2)c(C)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000651263870 453406567 /nfs/dbraw/zinc/40/65/67/453406567.db2.gz PVSJVLXLYPZKGF-UHFFFAOYSA-N 2 0 349.523 1.404 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])cc1Cl ZINC000662693691 453414523 /nfs/dbraw/zinc/41/45/23/453414523.db2.gz LJQNYKPTFAEFGU-SWLSCSKDSA-N 2 0 341.839 1.583 20 0 EDADRP c1ncn2c1CN(CCC[NH+]1CCN(c3ccccc3)CC1)CC2 ZINC000660583312 453422100 /nfs/dbraw/zinc/42/21/00/453422100.db2.gz JCWAXNZYIONPNP-UHFFFAOYSA-N 2 0 325.460 1.911 20 0 EDADRP [NH3+][C@H](CCC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000662708599 453431982 /nfs/dbraw/zinc/43/19/82/453431982.db2.gz NIPNNNVNLCICOL-ZWKOTPCHSA-N 2 0 331.460 1.836 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000662718283 453441706 /nfs/dbraw/zinc/44/17/06/453441706.db2.gz XIYUCQQPXQLRFY-OKZBNKHCSA-N 2 0 329.444 1.279 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)C1 ZINC000667167463 453449306 /nfs/dbraw/zinc/44/93/06/453449306.db2.gz MDPXRCMHGZAVHW-SFHVURJKSA-N 2 0 330.432 1.028 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cc(C(C)(C)[NH3+])no2)CC1 ZINC000662727029 453454032 /nfs/dbraw/zinc/45/40/32/453454032.db2.gz XNZXPIYATWFSSN-UHFFFAOYSA-N 2 0 338.452 1.488 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000662746626 453476440 /nfs/dbraw/zinc/47/64/40/453476440.db2.gz VFMSJUJSFUNOGE-ZOBUZTSGSA-N 2 0 348.495 1.395 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664915998 453478945 /nfs/dbraw/zinc/47/89/45/453478945.db2.gz GGCSORQFPVMBPR-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000660701346 453524709 /nfs/dbraw/zinc/52/47/09/453524709.db2.gz RBDCFKMGQHFTGG-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1CC2(CN1C(=O)c1cn([C@@H]3CCC[NH2+]CC3)nn1)CC[NH2+]CC2 ZINC000662821217 453551606 /nfs/dbraw/zinc/55/16/06/453551606.db2.gz WYZDSRCBSDKESQ-LSDHHAIUSA-N 2 0 346.479 1.197 20 0 EDADRP O=C(N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662832524 453558506 /nfs/dbraw/zinc/55/85/06/453558506.db2.gz ICRUAXZFCPRYEZ-ZFWWWQNUSA-N 2 0 349.397 1.242 20 0 EDADRP O=C(c1cc2c(s1)CC[NH2+]C2)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832173 453558694 /nfs/dbraw/zinc/55/86/94/453558694.db2.gz FVYHWPGYFJSELW-HNNXBMFYSA-N 2 0 349.500 1.721 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000667327978 453560888 /nfs/dbraw/zinc/56/08/88/453560888.db2.gz BGHWCHZRAUNWCF-GOSISDBHSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000667330019 453562004 /nfs/dbraw/zinc/56/20/04/453562004.db2.gz WQLJKBIDLYTOSR-MOPGFXCFSA-N 2 0 340.471 1.917 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000662846327 453567861 /nfs/dbraw/zinc/56/78/61/453567861.db2.gz KZEDNUPLTDNQPH-QRQLOZEOSA-N 2 0 349.519 1.914 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[N@H+](C)C(C)C)cc1F ZINC000662871076 453581637 /nfs/dbraw/zinc/58/16/37/453581637.db2.gz SLKSNNYEKKTGOQ-HOCLYGCPSA-N 2 0 337.439 1.736 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000662873289 453582682 /nfs/dbraw/zinc/58/26/82/453582682.db2.gz WCABDCBNTUNRRK-KURKYZTESA-N 2 0 331.460 1.126 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662878353 453584623 /nfs/dbraw/zinc/58/46/23/453584623.db2.gz REQUVQDOAXWZMP-MRXNPFEDSA-N 2 0 345.491 1.485 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000662899451 453594528 /nfs/dbraw/zinc/59/45/28/453594528.db2.gz DCVPKGWIIMWKJW-KXBFYZLASA-N 2 0 344.503 1.947 20 0 EDADRP CN(C(=O)[C@H](C[NH3+])c1ccccc1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900956 453595323 /nfs/dbraw/zinc/59/53/23/453595323.db2.gz QQUGVNRMIAGQHL-RTBURBONSA-N 2 0 344.503 1.356 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659041916 453595876 /nfs/dbraw/zinc/59/58/76/453595876.db2.gz JVFBCRXZMMUYPE-PKOBYXMFSA-N 2 0 344.459 1.907 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900928 453596259 /nfs/dbraw/zinc/59/62/59/453596259.db2.gz QFZUYFSDXXVTKA-DLBZAZTESA-N 2 0 338.540 1.638 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C[C@H](C)[N@H+]1C ZINC000659045458 453597738 /nfs/dbraw/zinc/59/77/38/453597738.db2.gz WKPNNXBYWWRQNX-JKIFEVAISA-N 2 0 332.448 1.904 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000662926945 453608528 /nfs/dbraw/zinc/60/85/28/453608528.db2.gz RWXHBAXTATZBPU-LJQANCHMSA-N 2 0 346.519 1.997 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000665232531 453617466 /nfs/dbraw/zinc/61/74/66/453617466.db2.gz OOLKGDXKFAYMIX-INDMIFKZSA-N 2 0 348.487 1.593 20 0 EDADRP C[C@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000662973890 453631789 /nfs/dbraw/zinc/63/17/89/453631789.db2.gz XZAWVQKTQMKAEF-BRWVUGGUSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000665365530 453669210 /nfs/dbraw/zinc/66/92/10/453669210.db2.gz GHVFBWGXCVIDPR-PMPSAXMXSA-N 2 0 338.496 1.100 20 0 EDADRP CC[N@@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[C@H]1C ZINC000665386680 453677551 /nfs/dbraw/zinc/67/75/51/453677551.db2.gz CYTSMPWQTOMTGI-GDBMZVCRSA-N 2 0 325.522 1.757 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H](C)C1 ZINC000659285309 453701016 /nfs/dbraw/zinc/70/10/16/453701016.db2.gz LWODHGVKNONGPE-CVEARBPZSA-N 2 0 337.508 1.901 20 0 EDADRP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000661233741 453768468 /nfs/dbraw/zinc/76/84/68/453768468.db2.gz IFMIRXUYZCEWOB-HOTGVXAUSA-N 2 0 327.513 1.874 20 0 EDADRP Cc1c(Br)cncc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000657348604 453770718 /nfs/dbraw/zinc/77/07/18/453770718.db2.gz AUNYAJWRKPZFDS-LBPRGKRZSA-N 2 0 341.297 1.878 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657347033 453770869 /nfs/dbraw/zinc/77/08/69/453770869.db2.gz MJBKJTAHDPTVIR-QGZVFWFLSA-N 3 0 342.491 1.631 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657350674 453772575 /nfs/dbraw/zinc/77/25/75/453772575.db2.gz WZWDKPIFUZCDKB-FQEVSTJZSA-N 2 0 347.503 1.972 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C1 ZINC000661395747 453808620 /nfs/dbraw/zinc/80/86/20/453808620.db2.gz IROYTPRZBPYXRM-HZPDHXFCSA-N 2 0 340.512 1.515 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC3=CC[NH2+]CC3)c2)CC1 ZINC000667396424 486760985 /nfs/dbraw/zinc/76/09/85/486760985.db2.gz MRNNJDUEZFATRE-UHFFFAOYSA-N 2 0 343.475 1.870 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000416978617 486790612 /nfs/dbraw/zinc/79/06/12/486790612.db2.gz VXUYWAOITLPWJI-JKSUJKDBSA-N 2 0 334.464 1.696 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(C(=O)C3CCC3)cc2)[C@H](C[NH3+])C1 ZINC000667480091 486799735 /nfs/dbraw/zinc/79/97/35/486799735.db2.gz UMRGOOYBBVFMOF-MRXNPFEDSA-N 2 0 330.432 1.776 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418195015 486828607 /nfs/dbraw/zinc/82/86/07/486828607.db2.gz PLDLXZOTDRUIAA-CVEARBPZSA-N 2 0 349.479 1.481 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2C1 ZINC000667806967 486974940 /nfs/dbraw/zinc/97/49/40/486974940.db2.gz CHKRNIINVCJLBC-NVXWUHKLSA-N 2 0 343.475 1.990 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000674364264 487245015 /nfs/dbraw/zinc/24/50/15/487245015.db2.gz CQDBIPISMQNTJQ-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000675179102 487385260 /nfs/dbraw/zinc/38/52/60/487385260.db2.gz WOYCJIBERNAMJR-IXDOHACOSA-N 2 0 340.512 1.659 20 0 EDADRP CS(=O)(=O)CCCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000679537650 487436159 /nfs/dbraw/zinc/43/61/59/487436159.db2.gz YVHNGCMXQFZMJS-UHFFFAOYSA-N 2 0 346.537 1.636 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N3CC[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000669554347 485552032 /nfs/dbraw/zinc/55/20/32/485552032.db2.gz DYHXQAMDHULTGE-FHLIZLRMSA-N 2 0 344.459 1.716 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)cc1 ZINC000669567413 485579682 /nfs/dbraw/zinc/57/96/82/485579682.db2.gz ZYCUKJRZFMWWQF-ZWKOTPCHSA-N 2 0 330.476 1.684 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000669036492 485586152 /nfs/dbraw/zinc/58/61/52/485586152.db2.gz UZQFAONPWSBCQV-IRXDYDNUSA-N 2 0 340.512 1.565 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000669110407 485672098 /nfs/dbraw/zinc/67/20/98/485672098.db2.gz LCRGNWDCVMXNQC-UHFFFAOYSA-N 2 0 330.476 1.745 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000669121652 485702931 /nfs/dbraw/zinc/70/29/31/485702931.db2.gz RQROPPIJKVBBGO-KKUMJFAQSA-N 2 0 334.464 1.442 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672940322 485715232 /nfs/dbraw/zinc/71/52/32/485715232.db2.gz ACFOWRLWZQLFIU-INIZCTEOSA-N 2 0 340.512 1.062 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C[C@H]1[NH3+] ZINC000669389591 486025324 /nfs/dbraw/zinc/02/53/24/486025324.db2.gz ZUSWEYDASJTXPB-ZIAGYGMSSA-N 2 0 326.510 1.337 20 0 EDADRP [NH3+][C@H](CNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420211 486139315 /nfs/dbraw/zinc/13/93/15/486139315.db2.gz DVXPNBTUPHPXDX-SJLPKXTDSA-N 2 0 330.476 1.935 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000670787176 486218286 /nfs/dbraw/zinc/21/82/86/486218286.db2.gz MLIDQMXGHVATSG-SFHVURJKSA-N 2 0 341.459 1.575 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000669508635 486291683 /nfs/dbraw/zinc/29/16/83/486291683.db2.gz FMCVZIGUPSAIPQ-IRXDYDNUSA-N 2 0 325.412 1.526 20 0 EDADRP C[N@@H+](CC(=O)N1CCN(Cc2cccs2)CC1)C[C@H](O)C1CC1 ZINC000079767583 491167821 /nfs/dbraw/zinc/16/78/21/491167821.db2.gz CNXIPJMDQOKIPX-INIZCTEOSA-N 2 0 337.489 1.095 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000669428472 491188607 /nfs/dbraw/zinc/18/86/07/491188607.db2.gz MQJXKRMDJCWRBA-HNNXBMFYSA-N 2 0 336.505 1.950 20 0 EDADRP C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000187957990 533770987 /nfs/dbraw/zinc/77/09/87/533770987.db2.gz DNHAHKMQIYBRIO-QRFRQXIXSA-N 2 0 347.503 1.888 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)cc1 ZINC000188699429 520750365 /nfs/dbraw/zinc/75/03/65/520750365.db2.gz VFBHDAGSPIMNQV-UHFFFAOYSA-N 2 0 341.459 1.827 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000261959993 534932997 /nfs/dbraw/zinc/93/29/97/534932997.db2.gz MIAZDCKBTXPSHW-UHFFFAOYSA-N 2 0 346.519 1.686 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339744401 535063398 /nfs/dbraw/zinc/06/33/98/535063398.db2.gz JQXARTOWNLYVSP-UHFFFAOYSA-N 2 0 348.491 1.163 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262660920 535316565 /nfs/dbraw/zinc/31/65/65/535316565.db2.gz GASPXOYBBAUQND-OALUTQOASA-N 2 0 347.503 1.922 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000125511622 535513698 /nfs/dbraw/zinc/51/36/98/535513698.db2.gz YRVOZZCQUMLABO-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236862863 535523588 /nfs/dbraw/zinc/52/35/88/535523588.db2.gz ZTMMBCVPDZJEPD-LBPRGKRZSA-N 2 0 325.375 1.098 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353236231 535654626 /nfs/dbraw/zinc/65/46/26/535654626.db2.gz IVYOZWSSAGJDIP-CZUORRHYSA-N 2 0 340.512 1.103 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000236939069 535688537 /nfs/dbraw/zinc/68/85/37/535688537.db2.gz IPVTWPKNIMUSMQ-AYHJJNSGSA-N 2 0 336.524 1.441 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c[nH]nc3-c3cccnc3)C2)CC1 ZINC000093133254 535737122 /nfs/dbraw/zinc/73/71/22/535737122.db2.gz IKKGHVSARFSXRE-GOSISDBHSA-N 2 0 340.475 1.684 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000262715835 536033565 /nfs/dbraw/zinc/03/35/65/536033565.db2.gz DOUPBOLSMIZQME-KRWDZBQOSA-N 2 0 341.459 1.799 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000353333504 536143278 /nfs/dbraw/zinc/14/32/78/536143278.db2.gz YPWQVLWJXSQTAY-UXLLHSPISA-N 2 0 340.537 1.549 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000262142737 536304661 /nfs/dbraw/zinc/30/46/61/536304661.db2.gz OSQZNXNKDKDCRM-SFHVURJKSA-N 2 0 330.476 1.409 20 0 EDADRP C[NH2+][C@H](C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1cnn(C)c1 ZINC000262388490 536380149 /nfs/dbraw/zinc/38/01/49/536380149.db2.gz NWTCCWUCIHXZEJ-BQFCYCMXSA-N 2 0 347.507 1.794 20 0 EDADRP COc1cc(C)nc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347144147 536690143 /nfs/dbraw/zinc/69/01/43/536690143.db2.gz XKLFBDLSGHMVFH-HNNXBMFYSA-N 2 0 332.448 1.042 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+]C[C@H]2C)cc1 ZINC000333690225 536892979 /nfs/dbraw/zinc/89/29/79/536892979.db2.gz PRFMRNGKMDSSOR-COXVUDFISA-N 2 0 332.448 1.144 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC000743768074 579490394 /nfs/dbraw/zinc/49/03/94/579490394.db2.gz SXHLSWULLVFDDA-RTBURBONSA-N 2 0 345.487 1.500 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000760161537 580024707 /nfs/dbraw/zinc/02/47/07/580024707.db2.gz YOHBJDAPOGREMV-QWHCGFSZSA-N 2 0 334.407 1.400 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3ccc(F)cc3)cn2)CC1 ZINC000729930667 578602820 /nfs/dbraw/zinc/60/28/20/578602820.db2.gz ORNPDJZKTCOLGT-SFHVURJKSA-N 2 0 344.434 1.796 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=S)NC1CC[NH+](C)CC1 ZINC000730437454 578648320 /nfs/dbraw/zinc/64/83/20/578648320.db2.gz XZQXLRQZHUIBGQ-UHFFFAOYSA-N 2 0 335.521 1.414 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=S)NCC2CC[NH+](C)CC2)CCSC1 ZINC000760491149 580032033 /nfs/dbraw/zinc/03/20/33/580032033.db2.gz LWDQPERNVQPCSO-OAHLLOKOSA-N 2 0 330.567 1.230 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)cc3)C2)CC1 ZINC000736853342 579026613 /nfs/dbraw/zinc/02/66/13/579026613.db2.gz WPPFDEQRXNKKPG-INIZCTEOSA-N 2 0 341.463 1.125 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000747546492 579648414 /nfs/dbraw/zinc/64/84/14/579648414.db2.gz IKZXFYNIAMYUAH-JKSUJKDBSA-N 2 0 342.403 1.252 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2cccnn21 ZINC000777804992 580450941 /nfs/dbraw/zinc/45/09/41/580450941.db2.gz RIJZOALPAFKVEO-UHFFFAOYSA-N 2 0 331.464 1.680 20 0 EDADRP CN1CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc21 ZINC000750771544 579780611 /nfs/dbraw/zinc/78/06/11/579780611.db2.gz HJFZTLGHJJNTMY-QGZVFWFLSA-N 2 0 332.492 1.562 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCCSC ZINC000752750404 579865095 /nfs/dbraw/zinc/86/50/95/579865095.db2.gz JBAWQBOCALDIBZ-AWEZNQCLSA-N 2 0 332.583 1.572 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)Cc2ccccc2)[C@H](C)C1 ZINC000765280850 580139280 /nfs/dbraw/zinc/13/92/80/580139280.db2.gz TXUSIOWUIFBZKV-WBVHZDCISA-N 2 0 339.505 1.426 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C(C)C ZINC000768719334 580218906 /nfs/dbraw/zinc/21/89/06/580218906.db2.gz FVOSHSUPPQXOMN-UHFFFAOYSA-N 2 0 344.419 1.052 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CCCSC3)CC2)nc1 ZINC000769013371 580225746 /nfs/dbraw/zinc/22/57/46/580225746.db2.gz QXCMEVHFFXUCRS-INIZCTEOSA-N 2 0 335.521 1.864 20 0 EDADRP C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771802999 580294593 /nfs/dbraw/zinc/29/45/93/580294593.db2.gz NAUHRVMDAUOTLF-WBAXXEDZSA-N 2 0 331.460 1.126 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000771803965 580294634 /nfs/dbraw/zinc/29/46/34/580294634.db2.gz QNXDMOQVWIZXKP-IBGZPJMESA-N 2 0 345.487 1.390 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(F)CCCC1 ZINC000771996543 580300345 /nfs/dbraw/zinc/30/03/45/580300345.db2.gz XOKLCVGMLOCXCR-UHFFFAOYSA-N 2 0 334.439 1.992 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775372659 580389496 /nfs/dbraw/zinc/38/94/96/580389496.db2.gz FTCYSTJIITXBAA-BZUAXINKSA-N 2 0 329.579 1.983 20 0 EDADRP O=C1CC2(CCC2)N1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000779877014 580500704 /nfs/dbraw/zinc/50/07/04/580500704.db2.gz FPPDLKJGDZNZSQ-UHFFFAOYSA-N 2 0 335.492 1.923 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000780208191 580516094 /nfs/dbraw/zinc/51/60/94/580516094.db2.gz JUGYPARYPSBCJK-HUUCEWRRSA-N 2 0 342.553 1.122 20 0 EDADRP CC[NH+](CC)CCOC(=O)[C@@H]1CC(=O)N(C[C@H]2CCC[N@@H+]2CC)C1 ZINC000785647656 580648762 /nfs/dbraw/zinc/64/87/62/580648762.db2.gz WDVALFIIJMKUKC-HZPDHXFCSA-N 2 0 339.480 1.204 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000788482687 580722575 /nfs/dbraw/zinc/72/25/75/580722575.db2.gz QOBPHGNEKZBDQB-UHFFFAOYSA-N 2 0 339.505 1.547 20 0 EDADRP C[NH+](C)CCCOC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000792203312 580813375 /nfs/dbraw/zinc/81/33/75/580813375.db2.gz JHOUNWMBTBTYTQ-UHFFFAOYSA-N 2 0 334.460 1.999 20 0 EDADRP C[NH+](C)CCCNC(=S)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000794992152 580910255 /nfs/dbraw/zinc/91/02/55/580910255.db2.gz VVUCRNYNXRNGKQ-KRWDZBQOSA-N 2 0 334.533 1.924 20 0 EDADRP CO[C@@H](C)C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000796640980 580958740 /nfs/dbraw/zinc/95/87/40/580958740.db2.gz TWXMUARKUSVTJD-INIZCTEOSA-N 2 0 333.476 1.865 20 0 EDADRP Nc1cc[nH+]c(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000891864658 590662199 /nfs/dbraw/zinc/66/21/99/590662199.db2.gz HVBQYDDZFZBWRC-INIZCTEOSA-N 2 0 339.443 1.985 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881537 590668244 /nfs/dbraw/zinc/66/82/44/590668244.db2.gz GXECGOOCRZDMGL-ZWKOTPCHSA-N 2 0 328.460 1.390 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]([NH3+])c1ccccc1)C2 ZINC000892031285 590759854 /nfs/dbraw/zinc/75/98/54/590759854.db2.gz USTRHWIBDWGFFO-LBPRGKRZSA-N 2 0 331.445 1.370 20 0 EDADRP COCC[NH2+]CCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000892054818 590774869 /nfs/dbraw/zinc/77/48/69/590774869.db2.gz HIBVRRNLVCBRRN-UHFFFAOYSA-N 2 0 328.501 1.232 20 0 EDADRP COCC1(CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC[NH2+]CC1 ZINC000892113243 590806327 /nfs/dbraw/zinc/80/63/27/590806327.db2.gz PIPCAJWGSZNYPL-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)C2CC3CC(C2)CC1C3 ZINC000892188654 590854887 /nfs/dbraw/zinc/85/48/87/590854887.db2.gz IUPGDASETLXOBU-KVGIZGHVSA-N 2 0 332.492 1.676 20 0 EDADRP Cc1nccn1-c1ccc(CNC(=O)NCC[N@H+]2CC[C@@H](C)C2)cn1 ZINC000892197826 590860282 /nfs/dbraw/zinc/86/02/82/590860282.db2.gz YIZPUGFDEOUDRA-CQSZACIVSA-N 2 0 342.447 1.717 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)cn21 ZINC000892213837 590867423 /nfs/dbraw/zinc/86/74/23/590867423.db2.gz KWEFUYGYLLFWPL-YJBOKZPZSA-N 2 0 327.432 1.769 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)CC1 ZINC000893487403 590904870 /nfs/dbraw/zinc/90/48/70/590904870.db2.gz JGXIUKKEKXYBSW-KRWDZBQOSA-N 2 0 343.537 1.655 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000892283412 590912746 /nfs/dbraw/zinc/91/27/46/590912746.db2.gz XRFMYJZYDYTRMQ-UHFFFAOYSA-N 2 0 326.485 1.402 20 0 EDADRP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384130 591004298 /nfs/dbraw/zinc/00/42/98/591004298.db2.gz OZKKYISETVZWLJ-OAGGEKHMSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1[nH+]ccc(N[C@@H](C)CN2CC[NH+](C)CC2)c1Br ZINC000892401790 591012190 /nfs/dbraw/zinc/01/21/90/591012190.db2.gz HNILPELLEXNMNP-NSHDSACASA-N 2 0 327.270 1.622 20 0 EDADRP O=C(NC[C@@H]1CC2(CO1)CC[NH2+]CC2)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000891363877 591061342 /nfs/dbraw/zinc/06/13/42/591061342.db2.gz NUVSQUHZCUDSHM-XHSDSOJGSA-N 2 0 336.480 1.071 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cn4ccnc4s3)cn2)CC1 ZINC000892532361 591062227 /nfs/dbraw/zinc/06/22/27/591062227.db2.gz OAGGJSGDVAWWEK-UHFFFAOYSA-N 2 0 342.472 1.832 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000892564754 591074413 /nfs/dbraw/zinc/07/44/13/591074413.db2.gz KLHAXHWEWMFBPA-OKYOBFRVSA-N 2 0 342.487 1.887 20 0 EDADRP Cc1ccc(CN2CCO[C@H](CNC(=O)N3CC[NH2+][C@@H](C)C3)C2)cc1 ZINC000892612214 591096420 /nfs/dbraw/zinc/09/64/20/591096420.db2.gz TWUNHVXSPIFCCE-FUHWJXTLSA-N 2 0 346.475 1.199 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000891502226 591097296 /nfs/dbraw/zinc/09/72/96/591097296.db2.gz NZCFFOMNAWTWFA-BPQIPLTHSA-N 2 0 345.491 1.106 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000891508977 591099483 /nfs/dbraw/zinc/09/94/83/591099483.db2.gz RGTCHHWRQWQPGJ-HOTGVXAUSA-N 2 0 332.448 1.273 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)[NH+](C)C)c1 ZINC000891539037 591113817 /nfs/dbraw/zinc/11/38/17/591113817.db2.gz JGPGEHVDUCKMMB-CRAIPNDOSA-N 2 0 348.491 1.939 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1F ZINC000891564522 591128276 /nfs/dbraw/zinc/12/82/76/591128276.db2.gz IRUVLPIKYRXHBP-MAUKXSAKSA-N 2 0 334.439 1.638 20 0 EDADRP [NH3+][C@H]1CCCCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000891575324 591134390 /nfs/dbraw/zinc/13/43/90/591134390.db2.gz LJHIKCLEUNAXRA-CVEARBPZSA-N 2 0 338.496 1.400 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000891638951 591162215 /nfs/dbraw/zinc/16/22/15/591162215.db2.gz OCGRZKAABISERB-GOSISDBHSA-N 2 0 348.516 1.569 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000891647234 591165095 /nfs/dbraw/zinc/16/50/95/591165095.db2.gz SJRILCKMOLCMJT-IAGOWNOFSA-N 2 0 334.439 1.793 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766329 591167365 /nfs/dbraw/zinc/16/73/65/591167365.db2.gz JEFLANBQVOFSDQ-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892774671 591172685 /nfs/dbraw/zinc/17/26/85/591172685.db2.gz UFYQHODFSRKZTG-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891670870 591177100 /nfs/dbraw/zinc/17/71/00/591177100.db2.gz UPRIJTFGGCQOJF-VQIMIIECSA-N 2 0 344.503 1.978 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892787997 591178067 /nfs/dbraw/zinc/17/80/67/591178067.db2.gz FFUFAJCXNPVMSI-GOSISDBHSA-N 2 0 346.475 1.111 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891671520 591178774 /nfs/dbraw/zinc/17/87/74/591178774.db2.gz XSQBLNBDXBDFBV-KBPBESRZSA-N 2 0 332.439 1.508 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000892808411 591186952 /nfs/dbraw/zinc/18/69/52/591186952.db2.gz BAMRRXSXCDDRRM-RTBURBONSA-N 2 0 342.487 1.971 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC2(C[NH3+])CCCCC2)ccn1 ZINC000891726023 591199486 /nfs/dbraw/zinc/19/94/86/591199486.db2.gz JEKMFFNUTWAIEW-UHFFFAOYSA-N 2 0 349.479 1.483 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C[C@H]2C[C@@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000895700688 591252898 /nfs/dbraw/zinc/25/28/98/591252898.db2.gz ZMSITLCSBULIOR-KBUPBQIOSA-N 3 0 332.330 1.831 20 0 EDADRP C[NH+]1CC[C@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)nc2cnccc21 ZINC000895768497 591268732 /nfs/dbraw/zinc/26/87/32/591268732.db2.gz CZKZNVDSHBZORG-UONOGXRCSA-N 2 0 326.448 1.862 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CC2(CO)CC2)c2c1OC(F)(F)O2 ZINC000894324946 591278909 /nfs/dbraw/zinc/27/89/09/591278909.db2.gz KUKUJZZFSKYOOP-UHFFFAOYSA-N 2 0 328.359 1.932 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000894345851 591285371 /nfs/dbraw/zinc/28/53/71/591285371.db2.gz QKAKVZKLZKHRLW-UHFFFAOYSA-N 2 0 348.491 1.047 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895855451 591288577 /nfs/dbraw/zinc/28/85/77/591288577.db2.gz SBNXOGLIWIYZGW-BZUAXINKSA-N 2 0 337.508 1.580 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCNC(=O)CC23CCC3)cc1 ZINC000895928843 591305695 /nfs/dbraw/zinc/30/56/95/591305695.db2.gz RBBJAYUEUQOOPF-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000894465817 591319670 /nfs/dbraw/zinc/31/96/70/591319670.db2.gz QLUFOCTTYSBFRZ-HZPDHXFCSA-N 2 0 329.460 1.189 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000894466092 591319688 /nfs/dbraw/zinc/31/96/88/591319688.db2.gz VCKZJURKUWIVSW-UHFFFAOYSA-N 2 0 333.476 1.851 20 0 EDADRP CN(CC[N@H+](C)Cc1ccc2[nH]c(=O)[nH]c2c1)C1CC[NH+](C)CC1 ZINC000894767334 591414270 /nfs/dbraw/zinc/41/42/70/591414270.db2.gz VVUIICPFFBZAAJ-UHFFFAOYSA-N 2 0 331.464 1.726 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000897469168 591470317 /nfs/dbraw/zinc/47/03/17/591470317.db2.gz FIBMZCVOINERRS-HZPDHXFCSA-N 2 0 331.464 1.644 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000897517536 591517350 /nfs/dbraw/zinc/51/73/50/591517350.db2.gz AZQVVCVPVHBFTE-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CCCC[N@H+](C)C1)CCO2 ZINC000897557975 591553771 /nfs/dbraw/zinc/55/37/71/591553771.db2.gz VEBVZBYKAVUAKG-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000897558536 591554300 /nfs/dbraw/zinc/55/43/00/591554300.db2.gz JEPIGCDCSWJIMI-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909474102 591619902 /nfs/dbraw/zinc/61/99/02/591619902.db2.gz CICFYRUMYHEUBR-GOSISDBHSA-N 2 0 335.448 1.542 20 0 EDADRP CC(C)c1cc(=O)[nH]c(N2CC[C@H]([NH2+]CC3CC[NH+](C)CC3)C2)n1 ZINC000897707115 591627265 /nfs/dbraw/zinc/62/72/65/591627265.db2.gz XQDLQTCJCKZXHO-HNNXBMFYSA-N 2 0 333.480 1.816 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000897058075 591726627 /nfs/dbraw/zinc/72/66/27/591726627.db2.gz LGTPKEKMECKDGB-LJQANCHMSA-N 2 0 345.487 1.606 20 0 EDADRP CC(C)(C)OC(=O)NCCC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897228302 591778593 /nfs/dbraw/zinc/77/85/93/591778593.db2.gz LCTGOYWCYBVUFR-HNNXBMFYSA-N 2 0 327.469 1.744 20 0 EDADRP COC(=O)c1ccccc1CC[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000897311334 591828763 /nfs/dbraw/zinc/82/87/63/591828763.db2.gz ZCRGHCKTGFLCCV-UHFFFAOYSA-N 2 0 334.460 1.841 20 0 EDADRP [NH3+][C@@H](Cc1nc(C2([NH3+])CCC2)no1)Cc1cc(F)c(F)cc1F ZINC000900008292 591865645 /nfs/dbraw/zinc/86/56/45/591865645.db2.gz DFUVRKPHTHUOKS-SECBINFHSA-N 2 0 326.322 1.937 20 0 EDADRP COc1cccc(CN2CCN(CN3CC[C@H](C[NH+](C)C)C3)C2=O)c1 ZINC000902145576 591928027 /nfs/dbraw/zinc/92/80/27/591928027.db2.gz FSPGJQYDUFWWCW-QGZVFWFLSA-N 2 0 346.475 1.774 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C2([NH3+])CC2)s1 ZINC000902317114 591976678 /nfs/dbraw/zinc/97/66/78/591976678.db2.gz COCKAPJABYMTJR-LBPRGKRZSA-N 2 0 345.534 1.791 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)C1 ZINC000902349257 591978816 /nfs/dbraw/zinc/97/88/16/591978816.db2.gz YIQHKRRQUCWIGZ-NVXWUHKLSA-N 2 0 327.538 1.562 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cn2)CC1 ZINC000902336544 591980489 /nfs/dbraw/zinc/98/04/89/591980489.db2.gz NIIMDDBHAVJTDJ-KRWDZBQOSA-N 3 0 331.508 1.701 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CC[NH+](CCC(C)(C)C)CC2)C1 ZINC000900313435 591985503 /nfs/dbraw/zinc/98/55/03/591985503.db2.gz WRIWCNGKHDPJCU-GOSISDBHSA-N 2 0 325.497 1.414 20 0 EDADRP CC(C)(C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1COCC12OCCO2 ZINC000902390862 591989848 /nfs/dbraw/zinc/98/98/48/591989848.db2.gz PWKMQCQOIVBYBA-GJZGRUSLSA-N 2 0 326.481 1.770 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)C1 ZINC000902395548 591990770 /nfs/dbraw/zinc/99/07/70/591990770.db2.gz GUGUKGQRTXTROG-UONOGXRCSA-N 2 0 329.452 1.071 20 0 EDADRP C/C(=C/C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CN1CCOCC1 ZINC000900352216 591992761 /nfs/dbraw/zinc/99/27/61/591992761.db2.gz CXICDNRBQZBZJU-OZQLPCOISA-N 2 0 337.508 1.748 20 0 EDADRP Cn1cc([C@]2(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)CCCO2)cn1 ZINC000902462060 591999989 /nfs/dbraw/zinc/99/99/89/591999989.db2.gz SLZMNUHPZHCJIO-BSDSXHPESA-N 2 0 334.464 1.173 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCCCCn2ccnc2)C1 ZINC000900694744 592087833 /nfs/dbraw/zinc/08/78/33/592087833.db2.gz JRXHSTOQFWXDCJ-HNNXBMFYSA-N 2 0 336.436 1.055 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc(C2CC2)[nH]c1=O ZINC000900683686 592092968 /nfs/dbraw/zinc/09/29/68/592092968.db2.gz OWMLIJJKLXRQCI-UHFFFAOYSA-N 2 0 349.479 1.405 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)CC1 ZINC000903097147 592122949 /nfs/dbraw/zinc/12/29/49/592122949.db2.gz PPIHMVWJFHPKCC-HUBHPDRSSA-N 3 0 332.536 1.902 20 0 EDADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@@]34CCOC4)CC2)ccn1 ZINC000903199229 592134290 /nfs/dbraw/zinc/13/42/90/592134290.db2.gz JGBPUZCYYBXLEB-RTBURBONSA-N 2 0 331.460 1.831 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900900127 592164664 /nfs/dbraw/zinc/16/46/64/592164664.db2.gz IXLKTMVWVIPPNS-JWHDQAAXSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000900898894 592164733 /nfs/dbraw/zinc/16/47/33/592164733.db2.gz NBSGVLJMESHXQE-XLIONFOSSA-N 2 0 345.487 1.612 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000903464456 592171785 /nfs/dbraw/zinc/17/17/85/592171785.db2.gz OCTMTTFJZHJWGT-ARFHVFGLSA-N 3 0 332.496 1.126 20 0 EDADRP Cc1cn2c(nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2=O)s1 ZINC000903454171 592173678 /nfs/dbraw/zinc/17/36/78/592173678.db2.gz WIQIDYIMHSNNAD-KBPBESRZSA-N 2 0 332.473 1.886 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900984537 592190022 /nfs/dbraw/zinc/19/00/22/592190022.db2.gz MUHQKMIPGLOGQP-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510242 592190582 /nfs/dbraw/zinc/19/05/82/592190582.db2.gz FJVURUFNFFLJLR-ZYSHUDEJSA-N 2 0 342.487 1.914 20 0 EDADRP Cn1c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)nc2ccccc21 ZINC000903525022 592197920 /nfs/dbraw/zinc/19/79/20/592197920.db2.gz KCKGJELJWLELRD-BEFAXECRSA-N 2 0 341.459 1.310 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]3CC[C@@]32C[NH3+])cc1 ZINC000903536590 592199444 /nfs/dbraw/zinc/19/94/44/592199444.db2.gz GBGMURJHUVCTOQ-DOTOQJQBSA-N 2 0 337.489 1.640 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)C1 ZINC000904335959 592233242 /nfs/dbraw/zinc/23/32/42/592233242.db2.gz KQGVGSUSVYAGFF-BJHJDKERSA-N 2 0 325.815 1.974 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH3+])CC1)c1nc(-c2cccc(F)c2)no1 ZINC000904368084 592239229 /nfs/dbraw/zinc/23/92/29/592239229.db2.gz HRKBCXCXMZBUCH-GFCCVEGCSA-N 2 0 333.411 1.949 20 0 EDADRP COc1sc(CN2CC[NH2+]CC[NH2+]CC2)cc1Br ZINC000904396559 592243716 /nfs/dbraw/zinc/24/37/16/592243716.db2.gz KYXJCLRDMTUAAI-UHFFFAOYSA-N 2 0 334.283 1.514 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376957 592244865 /nfs/dbraw/zinc/24/48/65/592244865.db2.gz ZEZHJRBYBAMSGY-NJAFHUGGSA-N 2 0 348.491 1.550 20 0 EDADRP CN(c1ccccc1CN1CCC[C@]([NH3+])(CO)C1)C1CC[NH+](C)CC1 ZINC000904407441 592250684 /nfs/dbraw/zinc/25/06/84/592250684.db2.gz WFGPHSYKFYTJML-HXUWFJFHSA-N 2 0 346.519 1.503 20 0 EDADRP CCc1noc([C@@H]2CC[C@@H]([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904428207 592253816 /nfs/dbraw/zinc/25/38/16/592253816.db2.gz GOQZRZCZUZRGJD-MGPQQGTHSA-N 2 0 335.452 1.055 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020085 592268254 /nfs/dbraw/zinc/26/82/54/592268254.db2.gz GRRMZVKLJHJVNI-BZSNNMDCSA-N 2 0 335.492 1.574 20 0 EDADRP Cn1cnc([C@@H]2CN([C@@H]3CC[NH2+][C@H](c4ccccc4)C3)C[C@H]2[NH3+])c1 ZINC000904484350 592270481 /nfs/dbraw/zinc/27/04/81/592270481.db2.gz GGZAONXMELMMPN-TVFCKZIOSA-N 2 0 325.460 1.640 20 0 EDADRP CCCCCNC(=O)C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903725423 592285160 /nfs/dbraw/zinc/28/51/60/592285160.db2.gz ZMOXQOGWSVXUTI-HKUYNNGSSA-N 2 0 337.508 1.773 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@H+](C)CC1 ZINC000904608205 592295199 /nfs/dbraw/zinc/29/51/99/592295199.db2.gz YJHHSKBMMYHJGQ-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000904607899 592295564 /nfs/dbraw/zinc/29/55/64/592295564.db2.gz VRLUFHGERRXYTL-SJORKVTESA-N 2 0 346.475 1.943 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904658731 592303248 /nfs/dbraw/zinc/30/32/48/592303248.db2.gz HEFCHIDEOIFCBK-HNNXBMFYSA-N 2 0 333.480 1.540 20 0 EDADRP Cc1csc(N2CC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@@H]2C)n1 ZINC000903740847 592303552 /nfs/dbraw/zinc/30/35/52/592303552.db2.gz ZWGUNHHNKYGCGN-ZOBUZTSGSA-N 2 0 336.505 1.731 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H]3C[C@H](C[NH3+])C3)ccc21 ZINC000906741525 592306135 /nfs/dbraw/zinc/30/61/35/592306135.db2.gz KFCSRWRZCHPQBY-DJSGYFEHSA-N 2 0 330.432 1.028 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764312 592308521 /nfs/dbraw/zinc/30/85/21/592308521.db2.gz RDTFFJLCDTYKCE-INIZCTEOSA-N 2 0 325.497 1.188 20 0 EDADRP CCOc1ccnc(N2CCC[N@H+](C[C@H]3CCCC[NH2+]C3)CC2)n1 ZINC000903764007 592309069 /nfs/dbraw/zinc/30/90/69/592309069.db2.gz OEAMSEVRFYKGAK-INIZCTEOSA-N 2 0 333.480 1.777 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)Cc1ccc(C(=O)OC)c2cccnc12 ZINC000903769700 592311014 /nfs/dbraw/zinc/31/10/14/592311014.db2.gz MIZHLIPINSIXFT-UHFFFAOYSA-N 2 0 331.416 1.689 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000904928984 592349488 /nfs/dbraw/zinc/34/94/88/592349488.db2.gz AGNNQLXQDXOEHW-SFHVURJKSA-N 2 0 334.464 1.427 20 0 EDADRP CCCC(=O)NC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903886450 592364122 /nfs/dbraw/zinc/36/41/22/592364122.db2.gz SQWGVEVIQIRAKM-HNNXBMFYSA-N 2 0 335.496 1.227 20 0 EDADRP O[C@@H](CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)c1ccccc1 ZINC000903892913 592365758 /nfs/dbraw/zinc/36/57/58/592365758.db2.gz YAQUBVQSYAJDHX-QZNYNHHHSA-N 2 0 329.488 1.868 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908188836 592367879 /nfs/dbraw/zinc/36/78/79/592367879.db2.gz DSUXJGCCEYGZFJ-RGVPCPSESA-N 2 0 349.519 1.963 20 0 EDADRP CCOc1ccnc(N2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)n1 ZINC000903899472 592370577 /nfs/dbraw/zinc/37/05/77/592370577.db2.gz RTUAWJYMZQRFED-ALOPSCKCSA-N 2 0 345.491 1.918 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2C[C@H](C)[NH2+]Cc3ccc(F)cc32)cnn1C ZINC000903918723 592376732 /nfs/dbraw/zinc/37/67/32/592376732.db2.gz GFBHKCMUDHHMNO-DZGCQCFKSA-N 2 0 345.466 1.983 20 0 EDADRP COc1ccc(CN2CC[C@@H]([NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2=O)cc1 ZINC000903925500 592379333 /nfs/dbraw/zinc/37/93/33/592379333.db2.gz NMBAKEXJWFIWNP-RGPMPMONSA-N 2 0 343.471 1.916 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073461 592403691 /nfs/dbraw/zinc/40/36/91/592403691.db2.gz WRUGZTZWCBLINL-RBUKOAKNSA-N 2 0 348.487 1.391 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905075710 592404046 /nfs/dbraw/zinc/40/40/46/592404046.db2.gz KNJFSWXJLZPKBL-QGZVFWFLSA-N 2 0 336.476 1.773 20 0 EDADRP CSC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+](C)CC1 ZINC000908286673 592425240 /nfs/dbraw/zinc/42/52/40/592425240.db2.gz YHSQDWUMEOOMHD-CABCVRRESA-N 2 0 325.522 1.947 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(CC(=O)Nc3ccccc3Cl)CC2)C1 ZINC000904336713 592475459 /nfs/dbraw/zinc/47/54/59/592475459.db2.gz JUFAWCBPYJKZJV-OKILXGFUSA-N 2 0 336.867 1.633 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1(C)C ZINC000905249667 592476703 /nfs/dbraw/zinc/47/67/03/592476703.db2.gz ZPGIAOAXBIUFJC-ROUUACIJSA-N 2 0 335.492 1.087 20 0 EDADRP CC1(C)CC[N@H+](CCNC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000905675909 592608750 /nfs/dbraw/zinc/60/87/50/592608750.db2.gz AAHWMCIZWAXZMS-HXUWFJFHSA-N 2 0 331.504 1.945 20 0 EDADRP C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000907446827 592659681 /nfs/dbraw/zinc/65/96/81/592659681.db2.gz KWTWREMOTZKKBN-CRAIPNDOSA-N 2 0 343.475 1.866 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)[C@@]1(C)C[C@H](O)C[NH+]1C)C1CC1 ZINC000907501555 592676248 /nfs/dbraw/zinc/67/62/48/592676248.db2.gz BTRCAOOIPVSRNW-NLWGTHIKSA-N 2 0 345.487 1.468 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)NC[C@H](C)[N@H+](C)C3CC3)co2)C1 ZINC000906539217 592846816 /nfs/dbraw/zinc/84/68/16/592846816.db2.gz GCGWFQTZLGNMDU-JSGCOSHPSA-N 2 0 336.436 1.108 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])c1cccs1 ZINC000906644097 592865479 /nfs/dbraw/zinc/86/54/79/592865479.db2.gz HOYQTWDAKNIWEB-AWEZNQCLSA-N 2 0 346.456 1.564 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000906644980 592865829 /nfs/dbraw/zinc/86/58/29/592865829.db2.gz HSUVSYXCJVWOMB-HZPDHXFCSA-N 2 0 344.459 1.562 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1 ZINC000911188458 592945516 /nfs/dbraw/zinc/94/55/16/592945516.db2.gz YDUANKLBDJYMBE-XHSDSOJGSA-N 2 0 338.496 1.001 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1CC[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000911736441 592993329 /nfs/dbraw/zinc/99/33/29/592993329.db2.gz RGKDSGPCPRUJIF-PVAVHDDUSA-N 2 0 343.475 1.741 20 0 EDADRP C[C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[NH2+]1 ZINC000911744478 592995563 /nfs/dbraw/zinc/99/55/63/592995563.db2.gz JWNUJXKMTUYONW-CPUCHLNUSA-N 2 0 345.443 1.922 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911744362 592995657 /nfs/dbraw/zinc/99/56/57/592995657.db2.gz IKWQTXGSDGREGS-WCXIOVBPSA-N 2 0 343.427 1.389 20 0 EDADRP C[NH2+]C1CCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC1 ZINC000911787815 593008676 /nfs/dbraw/zinc/00/86/76/593008676.db2.gz VSFXGCYACVQMCK-LLVKDONJSA-N 2 0 329.366 1.574 20 0 EDADRP CC[N@H+]1[C@H](C)CN(C(=O)C2(CCOC)CC[NH+](C)CC2)C[C@@H]1C ZINC000912021345 593053064 /nfs/dbraw/zinc/05/30/64/593053064.db2.gz KZQKAHYDIKTOAX-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912284001 593082571 /nfs/dbraw/zinc/08/25/71/593082571.db2.gz LZKNHJVCARLVRT-QGZVFWFLSA-N 2 0 338.540 1.639 20 0 EDADRP CC[N@@H+]1CCC[C@H](CN(C)C(=O)Cc2cnc[nH]2)[C@@H]1c1cnn(C)c1 ZINC000912408627 593093882 /nfs/dbraw/zinc/09/38/82/593093882.db2.gz NGOAEASJVVKCPS-RDTXWAMCSA-N 2 0 344.463 1.617 20 0 EDADRP C[N@H+](CCCn1ccnc1)CN1CCN(Cc2cccnc2)C1=O ZINC000840028567 593392559 /nfs/dbraw/zinc/39/25/59/593392559.db2.gz SGXBIQXLNTZGDE-UHFFFAOYSA-N 2 0 328.420 1.495 20 0 EDADRP Cc1ccncc1CCC[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000816620626 593535510 /nfs/dbraw/zinc/53/55/10/593535510.db2.gz CWECTXMMNOZELU-UHFFFAOYSA-N 2 0 332.492 1.904 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000817913551 593648147 /nfs/dbraw/zinc/64/81/47/593648147.db2.gz JDYKQHIYKIVKKQ-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CC1 ZINC000818538895 593703920 /nfs/dbraw/zinc/70/39/20/593703920.db2.gz WHVFYSWHGBJAAD-UHFFFAOYSA-N 2 0 331.416 1.663 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000819059044 593736318 /nfs/dbraw/zinc/73/63/18/593736318.db2.gz UAYKOBLCKZNIEZ-DYVFJYSZSA-N 2 0 343.874 1.986 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000819058809 593736362 /nfs/dbraw/zinc/73/63/62/593736362.db2.gz QGERXILYESWFJL-YOEHRIQHSA-N 2 0 325.884 1.847 20 0 EDADRP Cc1ccc(N2CCC[C@H]([NH2+]C[C@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819112961 593739618 /nfs/dbraw/zinc/73/96/18/593739618.db2.gz KKTFRNBIHVFAJX-ICSRJNTNSA-N 2 0 346.519 1.162 20 0 EDADRP C[NH+](C)CC1CCC([NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000819184834 593743395 /nfs/dbraw/zinc/74/33/95/593743395.db2.gz HCCHLSGUSJQYLF-UYSNPLJNSA-N 2 0 343.512 1.972 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccc(F)cn1 ZINC000819219261 593744931 /nfs/dbraw/zinc/74/49/31/593744931.db2.gz ORCSJTQGIFDNAZ-PKOBYXMFSA-N 2 0 345.418 1.611 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)C1 ZINC000819367468 593752119 /nfs/dbraw/zinc/75/21/19/593752119.db2.gz ZUEZUVBYIFAKNL-AWEZNQCLSA-N 2 0 348.509 1.064 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809966 593895175 /nfs/dbraw/zinc/89/51/75/593895175.db2.gz LXFWLKOBVMBGQL-JKSUJKDBSA-N 2 0 328.464 1.554 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NOCC1CCC1 ZINC000824062050 593921173 /nfs/dbraw/zinc/92/11/73/593921173.db2.gz PCAHFNFDNFJHTL-MRXNPFEDSA-N 2 0 326.485 1.776 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(Br)CC2)C[C@H]1C[NH+](C)C ZINC000825148214 594136647 /nfs/dbraw/zinc/13/66/47/594136647.db2.gz WKIIAARYPCCIKN-VXGBXAGGSA-N 2 0 332.286 1.112 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000825451122 594186738 /nfs/dbraw/zinc/18/67/38/594186738.db2.gz FWZIGKNQZVLOLD-CZUORRHYSA-N 2 0 330.436 1.565 20 0 EDADRP Cn1c2ccc(CN3CCC([N@@H+]4CC[C@@H](O)C4)CC3)cc2oc1=O ZINC000827700432 594260294 /nfs/dbraw/zinc/26/02/94/594260294.db2.gz STRDAUFJTPIYPG-OAHLLOKOSA-N 2 0 331.416 1.163 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000828142886 594350423 /nfs/dbraw/zinc/35/04/23/594350423.db2.gz VGLLZWWDTIRHCN-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000831127137 594563260 /nfs/dbraw/zinc/56/32/60/594563260.db2.gz CUCVPSMEESSYHZ-SOLBZPMBSA-N 2 0 344.459 1.117 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000831132987 594564948 /nfs/dbraw/zinc/56/49/48/594564948.db2.gz PHZORMIERVKCCN-HNNXBMFYSA-N 2 0 326.485 1.306 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000831191054 594578164 /nfs/dbraw/zinc/57/81/64/594578164.db2.gz FZCLBQAFLSJCLS-UHFFFAOYSA-N 2 0 325.501 1.021 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000829242688 594586935 /nfs/dbraw/zinc/58/69/35/594586935.db2.gz WGXFDLFVUOXEBU-UHFFFAOYSA-N 2 0 346.475 1.328 20 0 EDADRP C[C@H](C(=O)N1CC[C@@H]2[C@@H](CC[NH+]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000827322453 594661052 /nfs/dbraw/zinc/66/10/52/594661052.db2.gz ZSYCHDOUAJXUFU-AYOQOUSVSA-N 2 0 327.472 1.986 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CCC[NH2+]1 ZINC000841847147 594964492 /nfs/dbraw/zinc/96/44/92/594964492.db2.gz RDCGMBMZLCSGJK-CRAIPNDOSA-N 2 0 331.416 1.676 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000841847379 594964621 /nfs/dbraw/zinc/96/46/21/594964621.db2.gz VVRAYEFXYZHCFR-KKUMJFAQSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCO1 ZINC000841856618 594966590 /nfs/dbraw/zinc/96/65/90/594966590.db2.gz XWSUKJPIMKVXSY-VXLLPVPCSA-N 2 0 338.496 1.541 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841921953 594982102 /nfs/dbraw/zinc/98/21/02/594982102.db2.gz MXOFCKQLYHDXFA-SFHVURJKSA-N 2 0 332.492 1.944 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000841929015 594983606 /nfs/dbraw/zinc/98/36/06/594983606.db2.gz PHQNICWCXSMJEQ-SFHVURJKSA-N 2 0 330.476 1.815 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944173 594986682 /nfs/dbraw/zinc/98/66/82/594986682.db2.gz BLVPAPVYMNOWMQ-MJGOQNOKSA-N 2 0 346.475 1.017 20 0 EDADRP CN(C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1)C1CCC([NH3+])CC1 ZINC000842024882 595004995 /nfs/dbraw/zinc/00/49/95/595004995.db2.gz UWYRSZZSOQPCGV-UHFFFAOYSA-N 2 0 338.496 1.095 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NCCCCCC[NH3+])CCCCCC1 ZINC000843258826 595055424 /nfs/dbraw/zinc/05/54/24/595055424.db2.gz CTLXCHFJTFEPLG-UHFFFAOYSA-N 2 0 340.512 1.393 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000843387567 595097328 /nfs/dbraw/zinc/09/73/28/595097328.db2.gz SESCQENIVJFPAN-LBPRGKRZSA-N 2 0 343.431 1.671 20 0 EDADRP Cc1ccc(N2CC[C@@H]([N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)cc1 ZINC000842474982 595114489 /nfs/dbraw/zinc/11/44/89/595114489.db2.gz HBPWNGAGHGWTQR-ZWKOTPCHSA-N 2 0 328.460 1.080 20 0 EDADRP CCCCCCNC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000842478713 595115654 /nfs/dbraw/zinc/11/56/54/595115654.db2.gz JFELECCSEIDXJH-IRXDYDNUSA-N 2 0 325.497 1.901 20 0 EDADRP Cn1cncc1[C@H]1CC(=O)N(CN2CC[C@H](Oc3ccccc3)C2)C1 ZINC000842619063 595144937 /nfs/dbraw/zinc/14/49/37/595144937.db2.gz YCONTXOEHZVMII-RDJZCZTQSA-N 2 0 340.427 1.847 20 0 EDADRP C[N@H+](CC(=O)NC1CCC(C)([NH+]2CCC2)CC1)[C@@H]1CCSC1 ZINC000834786300 595211672 /nfs/dbraw/zinc/21/16/72/595211672.db2.gz OFJJFRHBWOMDTK-ISXOHVOVSA-N 2 0 325.522 1.947 20 0 EDADRP COc1cccc2cc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)oc21 ZINC000843047962 595273823 /nfs/dbraw/zinc/27/38/23/595273823.db2.gz FAFVKHMEQUCOKZ-CQSZACIVSA-N 2 0 331.416 1.728 20 0 EDADRP C[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000844177255 595292854 /nfs/dbraw/zinc/29/28/54/595292854.db2.gz DQQFJBXJLAIVDV-CRAIPNDOSA-N 2 0 331.460 1.318 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NCc1ccc(N2CCCC2=O)cc1 ZINC000846705683 595304728 /nfs/dbraw/zinc/30/47/28/595304728.db2.gz JQCBYDWGYYWCHV-GOEBONIOSA-N 2 0 344.459 1.241 20 0 EDADRP [NH3+]CCCCCCC[NH+]1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000844222140 595306837 /nfs/dbraw/zinc/30/68/37/595306837.db2.gz WTKFWQXQCHNVQV-UHFFFAOYSA-N 2 0 338.540 1.962 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000846809006 595319459 /nfs/dbraw/zinc/31/94/59/595319459.db2.gz OKQMTHARNHEDEK-YOEHRIQHSA-N 2 0 327.469 1.242 20 0 EDADRP CC[C@@H]1CN(C[C@H](O)C[N@H+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836327 595323607 /nfs/dbraw/zinc/32/36/07/595323607.db2.gz PFZZRXGIRZPJRM-BZUAXINKSA-N 2 0 343.512 1.924 20 0 EDADRP CN(C(=O)[C@@H]1C[C@]12CCC[NH2+]C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000848414178 595375426 /nfs/dbraw/zinc/37/54/26/595375426.db2.gz MDQUAQITAUKHMC-HKUYNNGSSA-N 2 0 331.460 1.980 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000849104034 595482213 /nfs/dbraw/zinc/48/22/13/595482213.db2.gz JRDGWPFGPTUPTR-HOTGVXAUSA-N 3 0 325.501 1.086 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849480961 595546557 /nfs/dbraw/zinc/54/65/57/595546557.db2.gz IKDZCTJVROGNAX-IRXDYDNUSA-N 2 0 335.496 1.302 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849487304 595548041 /nfs/dbraw/zinc/54/80/41/595548041.db2.gz OPPCHWBSHXFRAJ-IAGOWNOFSA-N 2 0 349.523 1.690 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+](C)C2CCCC2)cn1 ZINC000849522717 595557847 /nfs/dbraw/zinc/55/78/47/595557847.db2.gz NOVAIATUDBNLIJ-ZWKOTPCHSA-N 2 0 347.507 1.446 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)c2ccccc2)CC1 ZINC000852862275 595583089 /nfs/dbraw/zinc/58/30/89/595583089.db2.gz YMEPKSHVESQEFH-FUHWJXTLSA-N 2 0 344.459 1.679 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861744 595583297 /nfs/dbraw/zinc/58/32/97/595583297.db2.gz IIKAZBGLCZKIDS-HZPDHXFCSA-N 2 0 330.432 1.118 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849598333 595588180 /nfs/dbraw/zinc/58/81/80/595588180.db2.gz ZNZUFWPIYAXFAQ-SZMVWBNQSA-N 2 0 349.523 1.692 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852870289 595589073 /nfs/dbraw/zinc/58/90/73/595589073.db2.gz CHEMJOOAERZLFE-JSSFPYSZSA-N 2 0 344.459 1.363 20 0 EDADRP Cc1nc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)no1 ZINC000857766524 595600911 /nfs/dbraw/zinc/60/09/11/595600911.db2.gz SINNGKJFSJNAFP-UHFFFAOYSA-N 2 0 329.404 1.101 20 0 EDADRP COc1cncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1 ZINC000850242599 595784074 /nfs/dbraw/zinc/78/40/74/595784074.db2.gz WDJOSCOQJJTASX-GOSISDBHSA-N 2 0 327.428 1.947 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)c1cc[nH+]c(CO)c1 ZINC000858543716 595823499 /nfs/dbraw/zinc/82/34/99/595823499.db2.gz VVCQCLPZJBUHPG-UHFFFAOYSA-N 2 0 340.471 1.828 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851665652 595875296 /nfs/dbraw/zinc/87/52/96/595875296.db2.gz BYXIVOWRRUIHLO-KFWWJZLASA-N 2 0 338.402 1.429 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851666776 595876039 /nfs/dbraw/zinc/87/60/39/595876039.db2.gz IUJVUEVSTHZXMG-TZMCWYRMSA-N 2 0 330.423 1.690 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676727 595880290 /nfs/dbraw/zinc/88/02/90/595880290.db2.gz IACVNXNFLQHJAR-UHFFFAOYSA-N 2 0 330.476 1.554 20 0 EDADRP NC(=O)[C@](O)(C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000851861055 595951882 /nfs/dbraw/zinc/95/18/82/595951882.db2.gz NOBPDHQXKQHMEP-ZTNFWEORSA-N 2 0 343.471 1.308 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCS(=O)(=O)CC(F)(F)F ZINC000854223177 596006724 /nfs/dbraw/zinc/00/67/24/596006724.db2.gz PLONCXCSWYNWIX-VIFPVBQESA-N 2 0 339.383 1.476 20 0 EDADRP CC(C)[C@@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2C1 ZINC000861540633 596020989 /nfs/dbraw/zinc/02/09/89/596020989.db2.gz OZZIODLQDROPDT-ZIAGYGMSSA-N 2 0 346.475 1.791 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+]([C@@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596030 596028598 /nfs/dbraw/zinc/02/85/98/596028598.db2.gz PTKHKIFZFCMJQA-WMLDXEAASA-N 2 0 334.464 1.463 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000861617618 596048083 /nfs/dbraw/zinc/04/80/83/596048083.db2.gz OHFYCFHXFSGKEF-INIZCTEOSA-N 2 0 348.491 1.692 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000857110937 596159506 /nfs/dbraw/zinc/15/95/06/596159506.db2.gz XGSXAHYDANLVDC-YJBOKZPZSA-N 2 0 334.464 1.002 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000852629483 596212978 /nfs/dbraw/zinc/21/29/78/596212978.db2.gz CJNMXHOEABDYEX-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000866666388 596285456 /nfs/dbraw/zinc/28/54/56/596285456.db2.gz OYXJJCIEHWCLCL-ROUUACIJSA-N 2 0 331.460 1.546 20 0 EDADRP Cc1cccc(C(=O)NC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000866697293 596298101 /nfs/dbraw/zinc/29/81/01/596298101.db2.gz MGZDYXOHMMUOES-GOSISDBHSA-N 2 0 343.471 1.710 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc(C3CC3)cc2)C1 ZINC000866711333 596305229 /nfs/dbraw/zinc/30/52/29/596305229.db2.gz IGOBIUQRJBOVSQ-FGTMMUONSA-N 2 0 327.428 1.931 20 0 EDADRP C[C@H](NS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000866812514 596360388 /nfs/dbraw/zinc/36/03/88/596360388.db2.gz CEFPRNFHANFOJN-ZDUSSCGKSA-N 2 0 325.478 1.415 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[NH2+]1 ZINC000870942232 596413359 /nfs/dbraw/zinc/41/33/59/596413359.db2.gz IZPHMSIHEKSXHK-JIMOISOXSA-N 2 0 326.238 1.706 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@H]([NH3+])CC3CCCCC3)CC2)CC1 ZINC000870982169 596429177 /nfs/dbraw/zinc/42/91/77/596429177.db2.gz YCTBKRRZVNMXJL-GOSISDBHSA-N 2 0 336.524 1.523 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC[NH2+]CC1 ZINC000870986846 596430555 /nfs/dbraw/zinc/43/05/55/596430555.db2.gz QLXXUWZKTLOHIO-YJBOKZPZSA-N 2 0 330.476 1.798 20 0 EDADRP CC[C@@H](C(=O)N(CCOC)CC1CC[NH+](C)CC1)[NH+](CC)CC ZINC000869766592 596623529 /nfs/dbraw/zinc/62/35/29/596623529.db2.gz QMGGVGAUJVCBNS-KRWDZBQOSA-N 2 0 327.513 1.924 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000869782121 596634279 /nfs/dbraw/zinc/63/42/79/596634279.db2.gz HEVCYDYUZOQROT-JKSUJKDBSA-N 2 0 325.497 1.458 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[NH2+]C1)c1cccc(Br)c1 ZINC000867963002 596636096 /nfs/dbraw/zinc/63/60/96/596636096.db2.gz CBQJSEVNWVEELV-MFKMUULPSA-N 2 0 326.238 1.565 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3-n3ccnc3)CC[C@@H]21 ZINC000868029934 596660980 /nfs/dbraw/zinc/66/09/80/596660980.db2.gz FORYFKGRTFWGNY-HOTGVXAUSA-N 2 0 340.431 1.503 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[NH2+]CC3(C)C)cc2F)CC1 ZINC000868037086 596663195 /nfs/dbraw/zinc/66/31/95/596663195.db2.gz ANJDAXLTHKIFMX-INIZCTEOSA-N 2 0 334.439 1.904 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)c(C)c2)CC1 ZINC000868095980 596683980 /nfs/dbraw/zinc/68/39/80/596683980.db2.gz YGMZSWZTLFJWTE-WKILWMFISA-N 2 0 345.491 1.996 20 0 EDADRP Cc1cccc2c1O[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C2 ZINC000870017082 596709530 /nfs/dbraw/zinc/70/95/30/596709530.db2.gz HZPFHLOWAQZFQH-KZNAEPCWSA-N 2 0 345.487 1.496 20 0 EDADRP CC(=O)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000870017701 596709764 /nfs/dbraw/zinc/70/97/64/596709764.db2.gz QIODYPIAJOQWQM-HUUCEWRRSA-N 2 0 337.489 1.762 20 0 EDADRP CN1CC[C@@H]([NH+]2CCC(Nc3cc[nH+]cc3C(F)(F)F)CC2)C1=O ZINC000865887261 596710551 /nfs/dbraw/zinc/71/05/51/596710551.db2.gz SXMYTGXCLHSQBS-CQSZACIVSA-N 2 0 342.365 1.629 20 0 EDADRP CCOc1nccc(C)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019613 596711487 /nfs/dbraw/zinc/71/14/87/596711487.db2.gz KQONOHYIZDNAPI-HZPDHXFCSA-N 2 0 348.491 1.600 20 0 EDADRP Cc1cccnc1/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019840 596711514 /nfs/dbraw/zinc/71/15/14/596711514.db2.gz SHQZCXORFHTUKF-PIIXRYACSA-N 2 0 330.476 1.601 20 0 EDADRP Cc1ccn2ncc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2c1 ZINC000870021137 596711872 /nfs/dbraw/zinc/71/18/72/596711872.db2.gz AYIJEODHGIQGSO-HZPDHXFCSA-N 2 0 343.475 1.454 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[NH+](CC)CC ZINC000870021302 596711938 /nfs/dbraw/zinc/71/19/38/596711938.db2.gz MYHFKODGKNYOPK-ZACQAIPSSA-N 3 0 326.529 1.305 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)COc2ccc(C=O)cc2)C[C@H]1C[NH+](C)C ZINC000870022307 596712742 /nfs/dbraw/zinc/71/27/42/596712742.db2.gz RLAOUOBZSQUNBO-IAGOWNOFSA-N 2 0 347.459 1.076 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868179735 596713621 /nfs/dbraw/zinc/71/36/21/596713621.db2.gz ZTQDVXZBSVIRAZ-IXDOHACOSA-N 2 0 334.464 1.716 20 0 EDADRP Cc1[nH]nc2ncc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc12 ZINC000870024307 596713889 /nfs/dbraw/zinc/71/38/89/596713889.db2.gz YAYROPBTJMYONR-HUUCEWRRSA-N 2 0 344.463 1.078 20 0 EDADRP COc1cccc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024071 596714140 /nfs/dbraw/zinc/71/41/40/596714140.db2.gz JCOSTPVQSJHIAZ-QZTJIDSGSA-N 2 0 347.503 1.826 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868185847 596715274 /nfs/dbraw/zinc/71/52/74/596715274.db2.gz GWIAQLSRWXZUOV-IXDOHACOSA-N 2 0 332.448 1.734 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)CC1 ZINC000868209624 596724939 /nfs/dbraw/zinc/72/49/39/596724939.db2.gz DQPJRPUSWFOWIK-MSOLQXFVSA-N 2 0 349.523 1.035 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000868227179 596735448 /nfs/dbraw/zinc/73/54/48/596735448.db2.gz VTGUXZXGNMJSJC-LTIDMASMSA-N 2 0 342.443 1.183 20 0 EDADRP COCC[C@H](CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000864094103 596753639 /nfs/dbraw/zinc/75/36/39/596753639.db2.gz FQITYJRIMAJQAS-CYBMUJFWSA-N 2 0 346.374 1.557 20 0 EDADRP C[C@H](c1ccccc1)N1CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000870121500 596759582 /nfs/dbraw/zinc/75/95/82/596759582.db2.gz DYSXXWAMOWUSPI-MJGOQNOKSA-N 2 0 342.487 1.282 20 0 EDADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000872145977 596810216 /nfs/dbraw/zinc/81/02/16/596810216.db2.gz BBGRIVBWMZEIOI-KURKYZTESA-N 2 0 337.508 1.508 20 0 EDADRP O[C@]1(CNC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC[NH+](Cc2ccccc2)C1 ZINC000872200285 596833215 /nfs/dbraw/zinc/83/32/15/596833215.db2.gz YZAPUNWDNCYBEI-UFYCRDLUSA-N 2 0 345.487 1.076 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000872256701 596856367 /nfs/dbraw/zinc/85/63/67/596856367.db2.gz ZYFSVXAYUZHLKM-QMYADUOMSA-N 2 0 343.427 1.661 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413954 596880111 /nfs/dbraw/zinc/88/01/11/596880111.db2.gz XJIHADMRBZWDPU-OCCSQVGLSA-N 2 0 333.432 1.513 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC[NH+](C)CC1 ZINC000866491942 596892939 /nfs/dbraw/zinc/89/29/39/596892939.db2.gz BHHGMAOXMVHULU-NUEKZKHPSA-N 2 0 341.496 1.677 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[NH+]2CCCC2)CC1 ZINC000874007990 596896840 /nfs/dbraw/zinc/89/68/40/596896840.db2.gz OTDCGYIZRCMTEW-UHFFFAOYSA-N 2 0 344.503 1.536 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccn1 ZINC000875708832 596955341 /nfs/dbraw/zinc/95/53/41/596955341.db2.gz JFKZDSQPAKCPHC-GVDBMIGSSA-N 2 0 347.507 1.566 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2COC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC000875736283 596966579 /nfs/dbraw/zinc/96/65/79/596966579.db2.gz RBABRORQXRFDHZ-BZUAXINKSA-N 2 0 338.496 1.079 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CN1CCC2(CCCC2)C1=O ZINC000872592906 596980414 /nfs/dbraw/zinc/98/04/14/596980414.db2.gz SBTGTNDPDDYJCW-IKGGRYGDSA-N 2 0 335.492 1.920 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C3CCC3)CC1)C2=O ZINC000872701343 597037139 /nfs/dbraw/zinc/03/71/39/597037139.db2.gz VEVSDHPFNOTFNE-INIZCTEOSA-N 2 0 348.491 1.862 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000874432101 597075591 /nfs/dbraw/zinc/07/55/91/597075591.db2.gz GOJGCDDAIPFEMW-YQVWRLOYSA-N 2 0 328.460 1.512 20 0 EDADRP COc1ccc(C[C@](C)(CO)[NH2+]Cc2cnc(C)n2C)cc1OC ZINC000873193016 597223568 /nfs/dbraw/zinc/22/35/68/597223568.db2.gz MIGAQSAKEBPDOL-GOSISDBHSA-N 2 0 333.432 1.829 20 0 EDADRP C[N@H+](Cc1cc2c(s1)CC[NH2+]C2)C1CCN(S(C)(=O)=O)CC1 ZINC000873207681 597227702 /nfs/dbraw/zinc/22/77/02/597227702.db2.gz YWCBBFRJNAPKSW-UHFFFAOYSA-N 2 0 343.518 1.250 20 0 EDADRP Cn1cc(N2CC[C@H]([NH2+]Cc3cc4c(s3)CC[NH2+]C4)C2=O)cn1 ZINC000873212651 597229737 /nfs/dbraw/zinc/22/97/37/597229737.db2.gz ODVPBGRANCKZSJ-AWEZNQCLSA-N 2 0 331.445 1.022 20 0 EDADRP Cn1c(Cl)cnc1CNCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873217708 597230419 /nfs/dbraw/zinc/23/04/19/597230419.db2.gz QAMDOIYEYZCAQF-UHFFFAOYSA-N 2 0 331.811 1.403 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000876532086 597231591 /nfs/dbraw/zinc/23/15/91/597231591.db2.gz BEFDTVOXPZTYLJ-JKSUJKDBSA-N 2 0 333.480 1.753 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873267876 597243724 /nfs/dbraw/zinc/24/37/24/597243724.db2.gz LGYLUZGQPJNVSC-CHWSQXEVSA-N 2 0 325.478 1.633 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000876728734 597308728 /nfs/dbraw/zinc/30/87/28/597308728.db2.gz UGQVCHVWDLYHCE-INIZCTEOSA-N 2 0 331.464 1.284 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876742372 597317464 /nfs/dbraw/zinc/31/74/64/597317464.db2.gz XKTFDNPYFCVWBW-AJNGGQMLSA-N 2 0 329.435 1.939 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000876764999 597329340 /nfs/dbraw/zinc/32/93/40/597329340.db2.gz QCRZXCJADMKXPV-LVQVYYBASA-N 2 0 329.460 1.187 20 0 EDADRP C[C@H](NC(=O)/C=C/[C@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000876773436 597334197 /nfs/dbraw/zinc/33/41/97/597334197.db2.gz QUBWKFPBIRTYFT-YMPXZSTISA-N 2 0 335.492 1.692 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000876776823 597336285 /nfs/dbraw/zinc/33/62/85/597336285.db2.gz GKHCYLGAQGBBOO-CQSZACIVSA-N 2 0 335.839 1.565 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c2ccccc2O1 ZINC000876778905 597336985 /nfs/dbraw/zinc/33/69/85/597336985.db2.gz RSEAAMIFLWPIPM-SUNKGSAMSA-N 2 0 325.359 1.182 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876841936 597355815 /nfs/dbraw/zinc/35/58/15/597355815.db2.gz FGESLJLBOGUIMK-KVSKMBFKSA-N 2 0 331.460 1.521 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000876846030 597357083 /nfs/dbraw/zinc/35/70/83/597357083.db2.gz LHQHKPWOGZEWPB-KRWDZBQOSA-N 2 0 331.460 1.348 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876850677 597359181 /nfs/dbraw/zinc/35/91/81/597359181.db2.gz ZXURSODPZZQCPI-CJNGLKHVSA-N 2 0 343.393 1.803 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876877602 597366269 /nfs/dbraw/zinc/36/62/69/597366269.db2.gz YHMAZDHYHRJOOE-KBPBESRZSA-N 2 0 329.366 1.556 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000876938369 597390636 /nfs/dbraw/zinc/39/06/36/597390636.db2.gz BQEXELFKLXBZLT-INIZCTEOSA-N 2 0 327.432 1.505 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875383379 597408183 /nfs/dbraw/zinc/40/81/83/597408183.db2.gz FXMFUDRNFDIZDF-KSTDHSDQSA-N 2 0 340.512 1.212 20 0 EDADRP CC(C)CSCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875426508 597423834 /nfs/dbraw/zinc/42/38/34/597423834.db2.gz NCWQUHJITYYMIA-HZPDHXFCSA-N 2 0 344.569 1.756 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000877080296 597427215 /nfs/dbraw/zinc/42/72/15/597427215.db2.gz ARLIEQKRNKKISP-KEGWNNHHSA-N 2 0 335.492 1.646 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)[C@@H](N)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000877130059 597439006 /nfs/dbraw/zinc/43/90/06/597439006.db2.gz IEDAVPTUGLEAQH-KBPBESRZSA-N 2 0 346.397 1.313 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)CCC1CC[NH2+]CC1 ZINC000877132703 597439639 /nfs/dbraw/zinc/43/96/39/597439639.db2.gz LBRFTUAWNIFPEE-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C[C@H]1C[NH+](C)C ZINC000877143897 597441971 /nfs/dbraw/zinc/44/19/71/597441971.db2.gz XWRWZOXOPHASET-BRSBDYLESA-N 3 0 338.540 1.482 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877202059 597460549 /nfs/dbraw/zinc/46/05/49/597460549.db2.gz XNHXKTAYDFOZDL-IBGZPJMESA-N 2 0 345.487 1.783 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)cn1 ZINC000877443906 597516331 /nfs/dbraw/zinc/51/63/31/597516331.db2.gz HTVHFNSMMNQUTM-CJNGLKHVSA-N 2 0 331.464 1.695 20 0 EDADRP CCOC(=O)CC(C)(C)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877745862 597552568 /nfs/dbraw/zinc/55/25/68/597552568.db2.gz BISSUACMJRRKCF-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C([C@H]1CCC2(CCOCC2)O1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000877970265 597567174 /nfs/dbraw/zinc/56/71/74/597567174.db2.gz MCQTUXQKXJUICW-GOSISDBHSA-N 2 0 338.492 1.759 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000878080181 597576754 /nfs/dbraw/zinc/57/67/54/597576754.db2.gz GSRMKJGOTJQGDH-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)NC1CC[NH+](C)CC1 ZINC000878099068 597578070 /nfs/dbraw/zinc/57/80/70/597578070.db2.gz QXXDWOWPECSWLK-QGZVFWFLSA-N 2 0 344.503 1.403 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000878159486 597583054 /nfs/dbraw/zinc/58/30/54/597583054.db2.gz YEPUJYVAPPDROM-MRXNPFEDSA-N 2 0 334.464 1.761 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+](CCCO)[C@H]2CCc3ccccc32)CC1 ZINC000878170345 597583915 /nfs/dbraw/zinc/58/39/15/597583915.db2.gz YSPLMDZEZATMLE-IBGZPJMESA-N 2 0 345.487 1.569 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCC2(CCOCC2)O1 ZINC000878315053 597594843 /nfs/dbraw/zinc/59/48/43/597594843.db2.gz DYUZXXZDRZOYAC-QGZVFWFLSA-N 2 0 325.497 1.284 20 0 EDADRP C[C@H](CCO)[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878339621 597596728 /nfs/dbraw/zinc/59/67/28/597596728.db2.gz DUXDCYDGVXGGLU-MRXNPFEDSA-N 2 0 333.476 1.470 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)C1(CC)CC ZINC000878448535 597602595 /nfs/dbraw/zinc/60/25/95/597602595.db2.gz SHQDVQOWIQPUGA-HZPDHXFCSA-N 2 0 325.497 1.770 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883034626 597626804 /nfs/dbraw/zinc/62/68/04/597626804.db2.gz ZXEDMWKEGGWMBY-ZDUSSCGKSA-N 2 0 326.510 1.656 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000881475244 597631681 /nfs/dbraw/zinc/63/16/81/597631681.db2.gz CIOIABPWJQHTSA-KRWDZBQOSA-N 2 0 335.492 1.620 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)n[nH]1 ZINC000878589048 597645770 /nfs/dbraw/zinc/64/57/70/597645770.db2.gz CNSBCTMYHLNGFK-GFCCVEGCSA-N 2 0 343.422 1.835 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000883096599 597646862 /nfs/dbraw/zinc/64/68/62/597646862.db2.gz LWXFENBXXMSJBE-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)CC1 ZINC000878677624 597675540 /nfs/dbraw/zinc/67/55/40/597675540.db2.gz JYZBLVZMMZZPQZ-SJORKVTESA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)C[N@@H+](Cc1nc(N)nc(N(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879704282 597695288 /nfs/dbraw/zinc/69/52/88/597695288.db2.gz NIOUVAWVNLAYAM-UHFFFAOYSA-N 2 0 335.500 1.320 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439546 597747257 /nfs/dbraw/zinc/74/72/57/597747257.db2.gz UPXYTYPOOBBJGG-FXUDXRNXSA-N 2 0 335.448 1.345 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000883450775 597752178 /nfs/dbraw/zinc/75/21/78/597752178.db2.gz XJXDJSLZLVBZOT-CQSZACIVSA-N 2 0 331.420 1.419 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000883585583 597813772 /nfs/dbraw/zinc/81/37/72/597813772.db2.gz RHDSKEHMXDQRHE-WBVHZDCISA-N 2 0 329.448 1.454 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883701199 597867371 /nfs/dbraw/zinc/86/73/71/597867371.db2.gz HGXYWTWNMLCHDX-RDJZCZTQSA-N 2 0 340.512 1.658 20 0 EDADRP COC(=O)C[C@](C)([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000879441277 597918312 /nfs/dbraw/zinc/91/83/12/597918312.db2.gz OXNNQNZBCYSBMU-SFHVURJKSA-N 2 0 339.480 1.297 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000884022853 597970480 /nfs/dbraw/zinc/97/04/80/597970480.db2.gz SWIOENKYANVLGI-HOTGVXAUSA-N 2 0 345.443 1.780 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000884180011 598016801 /nfs/dbraw/zinc/01/68/01/598016801.db2.gz JNTFBZVOQJBWTF-GOSISDBHSA-N 2 0 349.475 1.371 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000884191810 598021343 /nfs/dbraw/zinc/02/13/43/598021343.db2.gz NVGAYUYAIPCTOX-KRWDZBQOSA-N 2 0 337.489 1.452 20 0 EDADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000884207137 598029285 /nfs/dbraw/zinc/02/92/85/598029285.db2.gz NGQRCUMJPJFGJH-HNNXBMFYSA-N 2 0 337.489 1.846 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000884219510 598032879 /nfs/dbraw/zinc/03/28/79/598032879.db2.gz QXKXJDVRHPGEDD-INIZCTEOSA-N 2 0 333.476 1.993 20 0 EDADRP CCn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C1CC1 ZINC000881019808 598054445 /nfs/dbraw/zinc/05/44/45/598054445.db2.gz FGPNYZARSLATOZ-HZPDHXFCSA-N 2 0 347.507 1.592 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3nsnc32)C[C@H]1C[NH+](C)C ZINC000881020065 598054507 /nfs/dbraw/zinc/05/45/07/598054507.db2.gz IMHSJPJDEIFVMP-CHWSQXEVSA-N 2 0 347.488 1.503 20 0 EDADRP C[NH2+][C@@H](CC(C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000884401631 598094025 /nfs/dbraw/zinc/09/40/25/598094025.db2.gz VWEGUNVWJADVQW-MSOLQXFVSA-N 2 0 333.476 1.504 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884418433 598099621 /nfs/dbraw/zinc/09/96/21/598099621.db2.gz JFGXFPCRCYLHIP-UTUOFQBUSA-N 2 0 330.201 1.347 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000884436153 598104468 /nfs/dbraw/zinc/10/44/68/598104468.db2.gz WRVHKOXDRVYYGK-OAHLLOKOSA-N 2 0 325.497 1.709 20 0 EDADRP CC(C)([NH3+])CCNC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000884513655 598125318 /nfs/dbraw/zinc/12/53/18/598125318.db2.gz OCTCJFRDPUBJCB-MRXNPFEDSA-N 2 0 346.475 1.011 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000914150897 695162360 /nfs/dbraw/zinc/16/23/60/695162360.db2.gz ZKRIEKANMJSKCR-XIRDDKMYSA-N 2 0 336.480 1.166 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000914162444 695175274 /nfs/dbraw/zinc/17/52/74/695175274.db2.gz NXOBKDUQLDOGKK-YOEHRIQHSA-N 2 0 336.480 1.023 20 0 EDADRP Cc1nccn1CCCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914247646 695309591 /nfs/dbraw/zinc/30/95/91/695309591.db2.gz CEGQYBOUHCQZLA-HUUCEWRRSA-N 2 0 337.493 1.461 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000914338374 695369726 /nfs/dbraw/zinc/36/97/26/695369726.db2.gz XCNIOEPPUXFWEC-OWCLPIDISA-N 2 0 340.537 1.597 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](CC)CN2CCOCC2)C1 ZINC000914338537 695370063 /nfs/dbraw/zinc/37/00/63/695370063.db2.gz YJRTZQDRUFVFEM-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC000992903428 695440002 /nfs/dbraw/zinc/44/00/02/695440002.db2.gz BDEXFUWHFXBEBB-IMJJTQAJSA-N 2 0 349.504 1.351 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710280 696644304 /nfs/dbraw/zinc/64/43/04/696644304.db2.gz IWVHYNUBQTXPLW-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253976 696656682 /nfs/dbraw/zinc/65/66/82/696656682.db2.gz OVDJQGHXJHFOBP-WBVHZDCISA-N 2 0 345.491 1.293 20 0 EDADRP C[NH+](C)CCCNC(=S)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000916546130 696676076 /nfs/dbraw/zinc/67/60/76/696676076.db2.gz NNDJVXIBMRHENA-HNNXBMFYSA-N 2 0 326.485 1.844 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000940008267 700109920 /nfs/dbraw/zinc/10/99/20/700109920.db2.gz GSARPZJOSMFSQX-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001031577729 697274103 /nfs/dbraw/zinc/27/41/03/697274103.db2.gz OZKGOMBQDYELRO-GOSISDBHSA-N 2 0 345.487 1.824 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N[C@H]1CC[NH+](CC2CC2)C1 ZINC000919627372 697304739 /nfs/dbraw/zinc/30/47/39/697304739.db2.gz KMEDOJFEIQJINJ-DOTOQJQBSA-N 2 0 336.480 1.023 20 0 EDADRP CC(=O)NCCCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000930096766 697329443 /nfs/dbraw/zinc/32/94/43/697329443.db2.gz UGEFDWAHCNQHHB-DFNIBXOVSA-N 2 0 336.524 1.536 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000919830659 697340408 /nfs/dbraw/zinc/34/04/08/697340408.db2.gz HYOVCBOUFVGFMC-IKGGRYGDSA-N 2 0 341.521 1.361 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920312172 697422107 /nfs/dbraw/zinc/42/21/07/697422107.db2.gz XBSMZAWNLGHFJH-KFWWJZLASA-N 2 0 326.554 1.911 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000920814215 697480821 /nfs/dbraw/zinc/48/08/21/697480821.db2.gz GTHVQGCACYQDNJ-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCOc3ccc(F)cc3)C2)CC[N@@H+]1C ZINC001031681439 697504809 /nfs/dbraw/zinc/50/48/09/697504809.db2.gz RTCIWRPWIRQMIS-RDTXWAMCSA-N 2 0 349.450 1.593 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000940111731 700226267 /nfs/dbraw/zinc/22/62/67/700226267.db2.gz NYOGQJVDIBIDKY-GOEBONIOSA-N 2 0 347.463 1.415 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115590 700231095 /nfs/dbraw/zinc/23/10/95/700231095.db2.gz OCCMETFMVRSKCX-HNNXBMFYSA-N 2 0 347.463 1.191 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000940116833 700249016 /nfs/dbraw/zinc/24/90/16/700249016.db2.gz JHGXYGGXWHJXLZ-BRWVUGGUSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C)o3)CC2)CC[N@@H+]1C ZINC000940123298 700256747 /nfs/dbraw/zinc/25/67/47/700256747.db2.gz JUHDOCXVCGKPAW-LSDHHAIUSA-N 2 0 349.479 1.579 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941474989 701551122 /nfs/dbraw/zinc/55/11/22/701551122.db2.gz JADZDRMKUUKHPK-UHFFFAOYSA-N 2 0 327.432 1.186 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764407 699047895 /nfs/dbraw/zinc/04/78/95/699047895.db2.gz DFLBJFKMXWRECB-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCc1ccns1 ZINC000939063182 699106137 /nfs/dbraw/zinc/10/61/37/699106137.db2.gz BNDQHSCLJADNIZ-CJNGLKHVSA-N 2 0 336.505 1.464 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)c1 ZINC000939064220 699131390 /nfs/dbraw/zinc/13/13/90/699131390.db2.gz STEYEYFKRGLUON-KXBFYZLASA-N 2 0 345.487 1.974 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)s1 ZINC000939064412 699131911 /nfs/dbraw/zinc/13/19/11/699131911.db2.gz WANOHCQYZVRSLF-WFASDCNBSA-N 2 0 336.505 1.730 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)Cc2ccccc2)C1 ZINC001031776256 699153526 /nfs/dbraw/zinc/15/35/26/699153526.db2.gz HJVRHUCZENGBFG-RBUKOAKNSA-N 2 0 345.487 1.122 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031776831 699169595 /nfs/dbraw/zinc/16/95/95/699169595.db2.gz PJIJFSBGGYXOLC-ROUUACIJSA-N 2 0 337.508 1.460 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC3(C2)CC[NH+](CC2CC2)CC3)CC1 ZINC001040899762 699276246 /nfs/dbraw/zinc/27/62/46/699276246.db2.gz OAULSUJPJLFNAQ-UHFFFAOYSA-N 2 0 349.519 1.822 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)cn1 ZINC000939397904 699547395 /nfs/dbraw/zinc/54/73/95/699547395.db2.gz NJMYQKBADOJWOB-QAPCUYQASA-N 2 0 345.491 1.453 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC000995164489 701603427 /nfs/dbraw/zinc/60/34/27/701603427.db2.gz ACVVYBIGMXDZBJ-UONOGXRCSA-N 2 0 334.489 1.613 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)sc1C ZINC000939544760 699686568 /nfs/dbraw/zinc/68/65/68/699686568.db2.gz MGYGUEYHAZSYRW-DOMZBBRYSA-N 2 0 348.516 1.792 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C)cc1 ZINC000939748569 699895481 /nfs/dbraw/zinc/89/54/81/699895481.db2.gz QNQXLXMANJHYLU-RDTXWAMCSA-N 2 0 342.443 1.837 20 0 EDADRP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995004397 699902800 /nfs/dbraw/zinc/90/28/00/699902800.db2.gz DDCVYBANIGVWFP-CVEARBPZSA-N 2 0 346.475 1.986 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001032119655 701620476 /nfs/dbraw/zinc/62/04/76/701620476.db2.gz XWVYUXRVQGODLH-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CCC1 ZINC000940149688 700282635 /nfs/dbraw/zinc/28/26/35/700282635.db2.gz OHZBEJHJQJFICX-UHFFFAOYSA-N 2 0 331.464 1.432 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000940149940 700283380 /nfs/dbraw/zinc/28/33/80/700283380.db2.gz SJNNZNFBKXTTCC-KRWDZBQOSA-N 2 0 347.507 1.539 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940153990 700283738 /nfs/dbraw/zinc/28/37/38/700283738.db2.gz JTCVXNPCUMQYTQ-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000940176340 700308965 /nfs/dbraw/zinc/30/89/65/700308965.db2.gz FUJZVVNIGYTBQO-CQSZACIVSA-N 2 0 348.495 1.493 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000940178228 700311862 /nfs/dbraw/zinc/31/18/62/700311862.db2.gz DBBCOXSRIFQZSE-INIZCTEOSA-N 2 0 345.491 1.740 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC000995167532 701637750 /nfs/dbraw/zinc/63/77/50/701637750.db2.gz JUYQOXICBSJOMO-HUUCEWRRSA-N 2 0 344.463 1.254 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nccs2)C1)C12CC[NH+](CC1)C2 ZINC000995169215 701646687 /nfs/dbraw/zinc/64/66/87/701646687.db2.gz RMSGXQPRUMVKSG-KBPBESRZSA-N 2 0 334.489 1.613 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940327957 700505203 /nfs/dbraw/zinc/50/52/03/700505203.db2.gz AWRQUFBUBXREQW-HOTGVXAUSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC000940356768 700518375 /nfs/dbraw/zinc/51/83/75/700518375.db2.gz XSQKBPAVBMUBBQ-UHFFFAOYSA-N 2 0 328.420 1.222 20 0 EDADRP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427216 700621116 /nfs/dbraw/zinc/62/11/16/700621116.db2.gz CWJWKWZWIVSRGH-UHFFFAOYSA-N 2 0 342.487 1.957 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076922 700653803 /nfs/dbraw/zinc/65/38/03/700653803.db2.gz FQTLZYYCOFFTMP-WBVHZDCISA-N 2 0 345.491 1.501 20 0 EDADRP COc1cccc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000940461886 700665096 /nfs/dbraw/zinc/66/50/96/700665096.db2.gz QCMYRAVQTIGCQK-UHFFFAOYSA-N 2 0 346.475 1.657 20 0 EDADRP CCc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995078646 700671761 /nfs/dbraw/zinc/67/17/61/700671761.db2.gz KNJRJESNAVZJGS-GOEBONIOSA-N 2 0 348.491 1.953 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973876 701016071 /nfs/dbraw/zinc/01/60/71/701016071.db2.gz YKUQQQFSUKBGRG-CVEARBPZSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2ccnn2C)CC1(C)C ZINC000941033336 701075698 /nfs/dbraw/zinc/07/56/98/701075698.db2.gz ORXVZROPIVXKEB-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941075475 701102810 /nfs/dbraw/zinc/10/28/10/701102810.db2.gz MNZJBVDOWBBQJI-JKSUJKDBSA-N 2 0 325.497 1.458 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@H](C)C2)c(C)n1 ZINC000945806303 701196328 /nfs/dbraw/zinc/19/63/28/701196328.db2.gz BWMURLRHIXRYFJ-KDOFPFPSSA-N 2 0 341.459 1.922 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999167431 706594142 /nfs/dbraw/zinc/59/41/42/706594142.db2.gz DMWAPRWBKZEPFF-ABHNRTSZSA-N 2 0 346.475 1.936 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999168346 706595812 /nfs/dbraw/zinc/59/58/12/706595812.db2.gz AQBFIFIGGWNTMU-WMZOPIPTSA-N 2 0 343.475 1.207 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167118 701378022 /nfs/dbraw/zinc/37/80/22/701378022.db2.gz RIYVEXDRUOCOOP-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCCCO2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167121 701378177 /nfs/dbraw/zinc/37/81/77/701378177.db2.gz RIYVEXDRUOCOOP-SJORKVTESA-N 2 0 349.519 1.868 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999169529 706598066 /nfs/dbraw/zinc/59/80/66/706598066.db2.gz SUNAWSSIWZFYDP-ACBHZAAOSA-N 2 0 349.519 1.866 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000995130678 701395127 /nfs/dbraw/zinc/39/51/27/701395127.db2.gz CUMVBPXEMHUCCN-FUHWJXTLSA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221340 701412140 /nfs/dbraw/zinc/41/21/40/701412140.db2.gz RJAVYKVFUKBEEO-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC000999170135 706599620 /nfs/dbraw/zinc/59/96/20/706599620.db2.gz ZAAIJUOPIKJIIX-HTWSVDAQSA-N 2 0 346.475 1.936 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCC(C)CC3)C2)[nH]1 ZINC000995131788 701415200 /nfs/dbraw/zinc/41/52/00/701415200.db2.gz GSHUFPNUXFVOSV-CVEARBPZSA-N 2 0 348.495 1.220 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941405092 701519442 /nfs/dbraw/zinc/51/94/42/701519442.db2.gz ZWEIJBGNLWWMLS-GOSISDBHSA-N 2 0 334.508 1.098 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408539 701521214 /nfs/dbraw/zinc/52/12/14/701521214.db2.gz KFWGJJQZPMRQEN-IAGOWNOFSA-N 2 0 334.508 1.099 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999173413 706604741 /nfs/dbraw/zinc/60/47/41/706604741.db2.gz JLLLOOKGKKIKBA-DLBZAZTESA-N 2 0 346.475 1.714 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC000941436856 701540151 /nfs/dbraw/zinc/54/01/51/701540151.db2.gz JBDHGCCVMHXMSM-GOSISDBHSA-N 2 0 334.508 1.242 20 0 EDADRP CCC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000999185472 706614874 /nfs/dbraw/zinc/61/48/74/706614874.db2.gz KPDGHSHRSYPPAU-KSZLIROESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130991 701848914 /nfs/dbraw/zinc/84/89/14/701848914.db2.gz DMFKJVNLSDUDNT-AEFFLSMTSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031975939 701932488 /nfs/dbraw/zinc/93/24/88/701932488.db2.gz CBPDWNBEPBIHMF-QFBILLFUSA-N 2 0 329.488 1.865 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190822 706633488 /nfs/dbraw/zinc/63/34/88/706633488.db2.gz UKXYDTPNTSSLAW-RBSFLKMASA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031977541 702023916 /nfs/dbraw/zinc/02/39/16/702023916.db2.gz CQPITPPVYRGGJU-KSSFIOAISA-N 2 0 333.451 1.880 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825946 702099097 /nfs/dbraw/zinc/09/90/97/702099097.db2.gz UPHAUQRQQFRLDL-RDJZCZTQSA-N 2 0 346.475 1.651 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995831866 702106995 /nfs/dbraw/zinc/10/69/95/702106995.db2.gz LZCQLODEZNGNMV-OIISXLGYSA-N 2 0 347.507 1.129 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995896406 702200879 /nfs/dbraw/zinc/20/08/79/702200879.db2.gz NLJRHUMKZUEBHD-IRXDYDNUSA-N 2 0 347.507 1.129 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897315 702201602 /nfs/dbraw/zinc/20/16/02/702201602.db2.gz QQDHTFPNKDGWOH-HOTGVXAUSA-N 2 0 333.480 1.087 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)cn1 ZINC000995884524 702218577 /nfs/dbraw/zinc/21/85/77/702218577.db2.gz GAOWULDMFKGDKA-MRXNPFEDSA-N 2 0 345.491 1.596 20 0 EDADRP COc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186805 702285183 /nfs/dbraw/zinc/28/51/83/702285183.db2.gz XFGCOCUGHRHMAY-INIZCTEOSA-N 2 0 347.459 1.074 20 0 EDADRP CCn1cc(CN[C@@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)nn1 ZINC000995986766 702349195 /nfs/dbraw/zinc/34/91/95/702349195.db2.gz ZHOLUCITRGXIGH-HZPDHXFCSA-N 2 0 348.495 1.109 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccn3)C2)CC[N@@H+]1C ZINC000999208413 706661712 /nfs/dbraw/zinc/66/17/12/706661712.db2.gz MYXFRNPXMVUVNY-OKZBNKHCSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)o1 ZINC000944166905 702404193 /nfs/dbraw/zinc/40/41/93/702404193.db2.gz ASXMSVOLUYBOFT-XJKSGUPXSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cn1 ZINC000944167601 702407074 /nfs/dbraw/zinc/40/70/74/702407074.db2.gz FLNNMQDNSRRNJI-YOEHRIQHSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)cn1 ZINC000944168261 702407869 /nfs/dbraw/zinc/40/78/69/702407869.db2.gz IHWIHQNYPQRGEL-WMLDXEAASA-N 2 0 343.475 1.207 20 0 EDADRP C[C@H]1C[N@H+](CCC(F)(F)F)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169662 702411649 /nfs/dbraw/zinc/41/16/49/702411649.db2.gz PCSODHJDLAGIHE-QWHCGFSZSA-N 2 0 333.398 1.861 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944154068 702441781 /nfs/dbraw/zinc/44/17/81/702441781.db2.gz JGYQXEUZINPJNQ-WMLDXEAASA-N 2 0 346.475 1.659 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996102758 702521517 /nfs/dbraw/zinc/52/15/17/702521517.db2.gz VWIUDFMJGWJNJJ-YJBOKZPZSA-N 2 0 347.503 1.612 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](CNCc2nc(C3CC3)no2)C1 ZINC000995207285 702663696 /nfs/dbraw/zinc/66/36/96/702663696.db2.gz DNNRGWQXVHNPLD-HIFRSBDPSA-N 2 0 347.463 1.417 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)cn1 ZINC000996299651 702690124 /nfs/dbraw/zinc/69/01/24/702690124.db2.gz BVQPGNBRHSYBES-NVXWUHKLSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996300790 702692713 /nfs/dbraw/zinc/69/27/13/702692713.db2.gz OQMZIBUDIDNKGD-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213776 702712553 /nfs/dbraw/zinc/71/25/53/702712553.db2.gz QMQJDFARSYWSII-CVEARBPZSA-N 2 0 334.464 1.762 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256823 702748135 /nfs/dbraw/zinc/74/81/35/702748135.db2.gz HNYDTYILRGPCIX-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996387580 702750701 /nfs/dbraw/zinc/75/07/01/702750701.db2.gz XQTLUBPXQNMLQO-INIZCTEOSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942260053 702769470 /nfs/dbraw/zinc/76/94/70/702769470.db2.gz WLMWPFYTPORVRD-RHSMWYFYSA-N 2 0 346.475 1.938 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC1 ZINC000996447763 702775677 /nfs/dbraw/zinc/77/56/77/702775677.db2.gz CXAUYQPJVOBHJF-KRWDZBQOSA-N 2 0 347.507 1.442 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996465857 702793008 /nfs/dbraw/zinc/79/30/08/702793008.db2.gz ZKTNEFXMBFREAJ-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)c1cnc[nH]1 ZINC000996512131 702831438 /nfs/dbraw/zinc/83/14/38/702831438.db2.gz AWLJSHYASHNSJH-MRXNPFEDSA-N 2 0 348.491 1.941 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)Cc2cncn2C)CC1(C)C ZINC000996512127 702831494 /nfs/dbraw/zinc/83/14/94/702831494.db2.gz AWFWPTRGHXORQA-OAHLLOKOSA-N 2 0 344.463 1.206 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996526813 702843042 /nfs/dbraw/zinc/84/30/42/702843042.db2.gz UKLYMANLEOTFRY-PBHICJAKSA-N 2 0 346.475 1.624 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1 ZINC000996526805 702843155 /nfs/dbraw/zinc/84/31/55/702843155.db2.gz UGPMPVCGRWQOMC-HZPDHXFCSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519782 702855837 /nfs/dbraw/zinc/85/58/37/702855837.db2.gz LJSJZZWFWAVHAF-OAHLLOKOSA-N 2 0 332.448 1.405 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996562840 702876734 /nfs/dbraw/zinc/87/67/34/702876734.db2.gz XQQCZWMQBZUXCN-SFHVURJKSA-N 2 0 328.460 1.504 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996607702 702911227 /nfs/dbraw/zinc/91/12/27/702911227.db2.gz DPBVWOGNXWYBII-CVEARBPZSA-N 2 0 331.464 1.063 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C)on3)CC2)CC[N@@H+]1C ZINC000996611863 702917321 /nfs/dbraw/zinc/91/73/21/702917321.db2.gz PBOOPARHUWFMDK-DLBZAZTESA-N 2 0 334.464 1.794 20 0 EDADRP CCc1nnc(CN[C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996613517 702918825 /nfs/dbraw/zinc/91/88/25/702918825.db2.gz VBAMEVWMUJYUBA-CYBMUJFWSA-N 2 0 335.452 1.054 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614376 702919613 /nfs/dbraw/zinc/91/96/13/702919613.db2.gz MYEZXRYRISXIJJ-GOEBONIOSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610028 702921141 /nfs/dbraw/zinc/92/11/41/702921141.db2.gz JAYTUSUSSIRFPK-GXTWGEPZSA-N 2 0 337.493 1.125 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(CC)n2)CC1 ZINC000996646130 702947909 /nfs/dbraw/zinc/94/79/09/702947909.db2.gz QFHYLMMDPYGWKG-GOSISDBHSA-N 2 0 347.507 1.858 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000996646292 702948291 /nfs/dbraw/zinc/94/82/91/702948291.db2.gz SACGBFDTAMFPHE-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000996665414 702966994 /nfs/dbraw/zinc/96/69/94/702966994.db2.gz LOVVANGTKFIETQ-UHFFFAOYSA-N 2 0 334.464 1.802 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996675250 702974253 /nfs/dbraw/zinc/97/42/53/702974253.db2.gz FRWRJPTYPQUIDO-SFHVURJKSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996725135 703019634 /nfs/dbraw/zinc/01/96/34/703019634.db2.gz SCILXWGPXLUKAG-KRWDZBQOSA-N 2 0 331.464 1.350 20 0 EDADRP COc1nccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996727139 703022112 /nfs/dbraw/zinc/02/21/12/703022112.db2.gz DSGZBGMGGIZXRG-MRXNPFEDSA-N 2 0 347.463 1.050 20 0 EDADRP CCN1CC[NH+](C2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC000996789494 703082023 /nfs/dbraw/zinc/08/20/23/703082023.db2.gz QLDXJISIRLDIFM-WWDZGPRUSA-N 2 0 336.524 1.393 20 0 EDADRP O=C(CCn1ccnc1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996843579 703130180 /nfs/dbraw/zinc/13/01/80/703130180.db2.gz FXQDCUNPGQJDTG-KGLIPLIRSA-N 2 0 344.381 1.910 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)C1 ZINC000996903176 703177628 /nfs/dbraw/zinc/17/76/28/703177628.db2.gz HTKOSVDLOFOLCP-MRXNPFEDSA-N 2 0 347.507 1.623 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996922959 703193830 /nfs/dbraw/zinc/19/38/30/703193830.db2.gz PPXNFFCDIKRGDH-GJZGRUSLSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996923304 703194395 /nfs/dbraw/zinc/19/43/95/703194395.db2.gz RZJIVUHGARWVRH-YDHLFZDLSA-N 2 0 349.479 1.750 20 0 EDADRP CC[N@@H+]1CC[C@H](CN(Cc2cccnc2)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000995268053 703200181 /nfs/dbraw/zinc/20/01/81/703200181.db2.gz MXZNPGJZVLOYBR-SFHVURJKSA-N 2 0 342.487 1.848 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC000996951814 703222673 /nfs/dbraw/zinc/22/26/73/703222673.db2.gz IMYOPJKPLYQFKM-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996999285 703256194 /nfs/dbraw/zinc/25/61/94/703256194.db2.gz NDTGLXRQODMICK-GFCCVEGCSA-N 2 0 337.493 1.411 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996999371 703256306 /nfs/dbraw/zinc/25/63/06/703256306.db2.gz NVYITBCVQSAUMB-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)[nH]1 ZINC000997004159 703261167 /nfs/dbraw/zinc/26/11/67/703261167.db2.gz BVDMOTSMJYBWTC-ZFWWWQNUSA-N 2 0 348.495 1.206 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cccnc3)CC2)C1 ZINC000997004513 703261603 /nfs/dbraw/zinc/26/16/03/703261603.db2.gz DMUNQEYMOJKAOA-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997013459 703273349 /nfs/dbraw/zinc/27/33/49/703273349.db2.gz ZPJJDJSHAIQOKU-IUODEOHRSA-N 2 0 336.505 1.730 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000997014156 703273503 /nfs/dbraw/zinc/27/35/03/703273503.db2.gz GQFAYDLDQVTNJA-KRWDZBQOSA-N 2 0 333.480 1.250 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H](O)C2CCCCC2)CC1)[NH+](C)C ZINC000997016253 703274922 /nfs/dbraw/zinc/27/49/22/703274922.db2.gz UFFQLGMAPOXZDE-ZWKOTPCHSA-N 2 0 339.524 1.848 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000997021587 703282951 /nfs/dbraw/zinc/28/29/51/703282951.db2.gz IBDNPFTVJUWFPR-CHWSQXEVSA-N 2 0 346.460 1.156 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2cnon2)CC1)[NH+]1CCCCCC1 ZINC000997063297 703308172 /nfs/dbraw/zinc/30/81/72/703308172.db2.gz PYRVZTUYGQAJTN-AWEZNQCLSA-N 2 0 335.452 1.415 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cccc(C(=O)N(C)C)c1)N1CC[NH+](C)CC1 ZINC000921522328 703357727 /nfs/dbraw/zinc/35/77/27/703357727.db2.gz PVISOEFJNMATND-IBGZPJMESA-N 2 0 346.519 1.750 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](C[C@@H]3CCOC3)C2)cc1 ZINC001032052876 703397764 /nfs/dbraw/zinc/39/77/64/703397764.db2.gz GBPXTAZZWCHLOP-INIZCTEOSA-N 2 0 331.460 1.446 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccnc(N3CC[NH+](C)CC3)c1)CCC2 ZINC000921539828 703411206 /nfs/dbraw/zinc/41/12/06/703411206.db2.gz ORJMRPUHQSFYQT-UHFFFAOYSA-N 2 0 340.475 1.345 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997181629 703466559 /nfs/dbraw/zinc/46/65/59/703466559.db2.gz BZKSFLZUFMNURS-ZDUSSCGKSA-N 2 0 337.493 1.269 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184180 703470811 /nfs/dbraw/zinc/47/08/11/703470811.db2.gz NJHQEWNUGWJLIU-QGZVFWFLSA-N 2 0 347.507 1.422 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997180768 703471211 /nfs/dbraw/zinc/47/12/11/703471211.db2.gz MULILBFUOOMLLO-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1csnn1 ZINC000997188148 703477901 /nfs/dbraw/zinc/47/79/01/703477901.db2.gz OYWQNUVXXTUKGZ-GFCCVEGCSA-N 2 0 335.477 1.276 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000997195565 703493010 /nfs/dbraw/zinc/49/30/10/703493010.db2.gz XRWUNNOZNUFCRE-UHFFFAOYSA-N 2 0 344.459 1.267 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997195921 703493376 /nfs/dbraw/zinc/49/33/76/703493376.db2.gz ZZOMVLNVWFVRKD-UHFFFAOYSA-N 2 0 334.489 1.628 20 0 EDADRP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000997228345 703504125 /nfs/dbraw/zinc/50/41/25/703504125.db2.gz GMFDNJUNQCTWMT-PSPFXIJKSA-N 2 0 335.492 1.476 20 0 EDADRP CN(C)c1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997300409 703543960 /nfs/dbraw/zinc/54/39/60/703543960.db2.gz UKVVJENTACDLKR-KRWDZBQOSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997360179 703590610 /nfs/dbraw/zinc/59/06/10/703590610.db2.gz MIGNHVQIVUAMQX-HZPDHXFCSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997361496 703595477 /nfs/dbraw/zinc/59/54/77/703595477.db2.gz VPDNGVXALQIRAL-STQMWFEESA-N 2 0 335.452 1.331 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCC2)CC1 ZINC001032705858 706756446 /nfs/dbraw/zinc/75/64/46/706756446.db2.gz OFDLYRBGJFQXMI-IRXDYDNUSA-N 2 0 335.492 1.573 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1)C1CC1 ZINC001032445242 703623145 /nfs/dbraw/zinc/62/31/45/703623145.db2.gz AVSHQDBYSNTWNX-GBESFXJTSA-N 2 0 349.519 1.819 20 0 EDADRP Cc1ncoc1CN1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2 ZINC001032471659 703687117 /nfs/dbraw/zinc/68/71/17/703687117.db2.gz CTZZQBVUZCBLBF-HOTGVXAUSA-N 2 0 344.459 1.644 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1ccc2c(c1)COC2)[NH+](C)C ZINC001032474693 703693720 /nfs/dbraw/zinc/69/37/20/703693720.db2.gz INMUNMCSYXYZSK-GBESFXJTSA-N 2 0 343.471 1.842 20 0 EDADRP Cn1nc2c(c1C[NH2+]C1CCN(C3CC[NH+](C)CC3)CC1)CCC2 ZINC000921628696 703773058 /nfs/dbraw/zinc/77/30/58/703773058.db2.gz QTFRTQUFDLFVJQ-UHFFFAOYSA-N 2 0 331.508 1.557 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997612826 703910310 /nfs/dbraw/zinc/91/03/10/703910310.db2.gz KRSUMCZRBVALSR-KRWDZBQOSA-N 2 0 331.464 1.207 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)CC[N@@H+]1C ZINC000999291530 706774819 /nfs/dbraw/zinc/77/48/19/706774819.db2.gz CIFAKUXUVQGODH-FXQLRMTLSA-N 2 0 333.480 1.229 20 0 EDADRP CN1CCO[C@@H](C(=O)N2CCC(C[NH2+]Cc3cccc(F)c3)CC2)C1 ZINC000997646256 703959429 /nfs/dbraw/zinc/95/94/29/703959429.db2.gz UZUHTJKNCQDLJH-GOSISDBHSA-N 2 0 349.450 1.485 20 0 EDADRP Cc1c(C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)ccc2c[nH+]cn21 ZINC000997650193 703961943 /nfs/dbraw/zinc/96/19/43/703961943.db2.gz UMYOIBOHDNHFNL-AWEZNQCLSA-N 2 0 344.459 1.855 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001004208157 703968390 /nfs/dbraw/zinc/96/83/90/703968390.db2.gz NNQZUZIQQDMDIJ-GOSISDBHSA-N 2 0 347.507 1.418 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555536 703975264 /nfs/dbraw/zinc/97/52/64/703975264.db2.gz ZYUVCQDMFLEXCM-IRXDYDNUSA-N 2 0 348.491 1.966 20 0 EDADRP CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529443 704025687 /nfs/dbraw/zinc/02/56/87/704025687.db2.gz IFUCSQLPLRLYLR-YTIFWKSRSA-N 2 0 347.503 1.571 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946592696 704230478 /nfs/dbraw/zinc/23/04/78/704230478.db2.gz USINFWYQICIKNQ-HCXYKTFWSA-N 2 0 349.519 1.414 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598129 704298791 /nfs/dbraw/zinc/29/87/91/704298791.db2.gz YKJFLHYXMZDZTR-XDNAFOTISA-N 2 0 335.492 1.430 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2)[C@@H]1C(C)C ZINC000922743380 704309922 /nfs/dbraw/zinc/30/99/22/704309922.db2.gz PNRVIOOMWGXOSJ-QXUSFIETSA-N 2 0 340.512 1.106 20 0 EDADRP CCO[C@@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C[NH+](C)C ZINC000922769450 704320495 /nfs/dbraw/zinc/32/04/95/704320495.db2.gz WCCXODGLPVSEAQ-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2ccon2)CC1 ZINC001004366058 704332788 /nfs/dbraw/zinc/33/27/88/704332788.db2.gz AGNIONISSAYCJZ-MSOLQXFVSA-N 2 0 346.475 1.972 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@H]1CCSC1 ZINC000922875794 704443660 /nfs/dbraw/zinc/44/36/60/704443660.db2.gz NSULGUGNQKLAET-INIZCTEOSA-N 2 0 341.521 1.183 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922878704 704445601 /nfs/dbraw/zinc/44/56/01/704445601.db2.gz SAWHKAJDIIUEEG-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997821595 704741745 /nfs/dbraw/zinc/74/17/45/704741745.db2.gz NBQUFLQOAPEGQG-QGZVFWFLSA-N 2 0 334.464 1.877 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nn1C ZINC000997829877 704748319 /nfs/dbraw/zinc/74/83/19/704748319.db2.gz DRHYAHSRJIWDNN-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)C1CC1 ZINC000997831656 704750181 /nfs/dbraw/zinc/75/01/81/704750181.db2.gz WUCKGYDTZQYLPB-OAHLLOKOSA-N 2 0 337.493 1.207 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000997832132 704750281 /nfs/dbraw/zinc/75/02/81/704750281.db2.gz ZUSZWQGAUFONJQ-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000997843982 704759344 /nfs/dbraw/zinc/75/93/44/704759344.db2.gz KPVRUYXNCPHQMK-ROUUACIJSA-N 2 0 339.524 1.827 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)no1 ZINC000997844367 704759540 /nfs/dbraw/zinc/75/95/40/704759540.db2.gz NMCVSEVBIXWLIR-KRWDZBQOSA-N 2 0 336.480 1.897 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CCN(Cc2cscn2)C[C@H]1C ZINC000944946656 704799752 /nfs/dbraw/zinc/79/97/52/704799752.db2.gz YCLKRHJXRIPISD-IUODEOHRSA-N 2 0 333.461 1.675 20 0 EDADRP CCn1ncnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998083107 705311754 /nfs/dbraw/zinc/31/17/54/705311754.db2.gz VAAOQBPKWMOMNG-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1nncn1C ZINC000998216735 705538572 /nfs/dbraw/zinc/53/85/72/705538572.db2.gz KHUOLSFHCFMRLM-HOCLYGCPSA-N 2 0 348.495 1.046 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000998222782 705549207 /nfs/dbraw/zinc/54/92/07/705549207.db2.gz MMIZNEGSWOEWMW-UHFFFAOYSA-N 2 0 349.504 1.271 20 0 EDADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@H]2CC[NH+](C)[C@H]2C)C1 ZINC000925343273 705575926 /nfs/dbraw/zinc/57/59/26/705575926.db2.gz HKHQIWFKIVNNFY-BQJWPVKWSA-N 2 0 338.496 1.362 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998284539 705679552 /nfs/dbraw/zinc/67/95/52/705679552.db2.gz DPSLVEUVXZJRNF-GOSISDBHSA-N 2 0 337.508 1.727 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)nn1 ZINC000998289019 705690125 /nfs/dbraw/zinc/69/01/25/705690125.db2.gz ZPKQFHHESDKQLN-UHFFFAOYSA-N 2 0 348.495 1.019 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000998721118 706148163 /nfs/dbraw/zinc/14/81/63/706148163.db2.gz LOPPFIYTIVHGTL-GDBMZVCRSA-N 2 0 336.867 1.910 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998762422 706200568 /nfs/dbraw/zinc/20/05/68/706200568.db2.gz DWZIOUXJDNLXPQ-JCYILVPMSA-N 2 0 333.480 1.372 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC([NH2+]CCC2CC2)C1 ZINC000998786624 706227664 /nfs/dbraw/zinc/22/76/64/706227664.db2.gz WAOQFAAYSCAAJL-UHFFFAOYSA-N 2 0 333.480 1.437 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC000998791547 706238344 /nfs/dbraw/zinc/23/83/44/706238344.db2.gz OERDWZQZKBWAMI-YOODTLSXSA-N 2 0 345.487 1.598 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncs3)C2)CC[N@@H+]1C ZINC000998791758 706238445 /nfs/dbraw/zinc/23/84/45/706238445.db2.gz QYCXKVHBEPJIAK-FPCDFSMTSA-N 2 0 336.505 1.952 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998791442 706238525 /nfs/dbraw/zinc/23/85/25/706238525.db2.gz LYWZFJNYISNKFW-AQEOSJORSA-N 2 0 347.507 1.419 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)sc1C ZINC000999834792 707468168 /nfs/dbraw/zinc/46/81/68/707468168.db2.gz WJCHFBVLSDLPNA-UHFFFAOYSA-N 2 0 336.505 1.935 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999144998 706558898 /nfs/dbraw/zinc/55/88/98/706558898.db2.gz NVHPYWSRMIMVSK-RDJZCZTQSA-N 2 0 333.480 1.374 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCOC3)C[C@H]2CC1 ZINC000946518044 706567201 /nfs/dbraw/zinc/56/72/01/706567201.db2.gz MYFZQRVEYQPWRW-OKYOBFRVSA-N 2 0 349.519 1.678 20 0 EDADRP Cn1nncc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999151740 706580490 /nfs/dbraw/zinc/58/04/90/706580490.db2.gz HJDBLCKRMWBYHZ-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]CCc3ccns3)C2)CCC1 ZINC000999353888 706842728 /nfs/dbraw/zinc/84/27/28/706842728.db2.gz OHVPLIKZSDYZIX-AWEZNQCLSA-N 2 0 336.505 1.751 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999353257 706866801 /nfs/dbraw/zinc/86/68/01/706866801.db2.gz LUMCAXSXJIMZOI-HOCLYGCPSA-N 2 0 327.444 1.180 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999378339 706872554 /nfs/dbraw/zinc/87/25/54/706872554.db2.gz XXUWCHGYNBALMP-ROUUACIJSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999365655 706879271 /nfs/dbraw/zinc/87/92/71/706879271.db2.gz QQNZOXHZSMPPCS-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999404026 706912711 /nfs/dbraw/zinc/91/27/11/706912711.db2.gz YUHYVJQBNVLWIY-QZTJIDSGSA-N 2 0 347.507 1.418 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999404189 706912879 /nfs/dbraw/zinc/91/28/79/706912879.db2.gz UADPTYYXYBQVSN-JQRITLKVSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)c(C)o1 ZINC000999407647 706917401 /nfs/dbraw/zinc/91/74/01/706917401.db2.gz DLUPVMPFZCFTGH-JQRITLKVSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c(C)o1 ZINC000999407650 706917470 /nfs/dbraw/zinc/91/74/70/706917470.db2.gz DLUPVMPFZCFTGH-UWTIGNOOSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC000999432585 706940302 /nfs/dbraw/zinc/94/03/02/706940302.db2.gz HUKLOLJAOCHOPI-IRXDYDNUSA-N 2 0 333.480 1.452 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)n1 ZINC000999509284 707007168 /nfs/dbraw/zinc/00/71/68/707007168.db2.gz PYNXWUVFEYCTQO-UHFFFAOYSA-N 2 0 347.507 1.714 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1 ZINC000999514048 707012935 /nfs/dbraw/zinc/01/29/35/707012935.db2.gz UEBUUTHGCRGRHH-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1)C(N)=O ZINC000999556692 707054738 /nfs/dbraw/zinc/05/47/38/707054738.db2.gz KKGLMUMCSJTZOS-CJNGLKHVSA-N 2 0 343.431 1.101 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC000999595114 707098221 /nfs/dbraw/zinc/09/82/21/707098221.db2.gz FHBIQILVDAMRRE-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)ncn1 ZINC000999597521 707100163 /nfs/dbraw/zinc/10/01/63/707100163.db2.gz PUYWDTQWJUBHFM-MRXNPFEDSA-N 2 0 343.475 1.494 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999698011 707223999 /nfs/dbraw/zinc/22/39/99/707223999.db2.gz BRKKNHLZSGXTHV-UHFFFAOYSA-N 2 0 342.447 1.274 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)c3cnc[nH]3)C2)cn1 ZINC000999700685 707230825 /nfs/dbraw/zinc/23/08/25/707230825.db2.gz XUALQTNUWFSLAU-UHFFFAOYSA-N 2 0 342.447 1.565 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946779022 707235896 /nfs/dbraw/zinc/23/58/96/707235896.db2.gz CULRPHYNIREBNK-ZACQAIPSSA-N 2 0 346.475 1.829 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC000999708445 707300491 /nfs/dbraw/zinc/30/04/91/707300491.db2.gz LQSWDGSBDMZKRU-UHFFFAOYSA-N 2 0 344.459 1.265 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999710005 707303583 /nfs/dbraw/zinc/30/35/83/707303583.db2.gz RDQBCIQJYAITPD-UHFFFAOYSA-N 2 0 348.878 1.910 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297755 707434087 /nfs/dbraw/zinc/43/40/87/707434087.db2.gz SYLXKAZZAXCNFU-FUHWJXTLSA-N 2 0 347.503 1.972 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001033196272 707442493 /nfs/dbraw/zinc/44/24/93/707442493.db2.gz CPYODWDSJOHMQX-ZWKOTPCHSA-N 2 0 347.507 1.463 20 0 EDADRP CCc1nc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cs1 ZINC000999833691 707465938 /nfs/dbraw/zinc/46/59/38/707465938.db2.gz PHLYSMBHRCWBEJ-UHFFFAOYSA-N 2 0 336.505 1.880 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000999835548 707469972 /nfs/dbraw/zinc/46/99/72/707469972.db2.gz GQIAIUBZBPDLLW-IYXRBSQSSA-N 2 0 348.495 1.133 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000999876221 707523192 /nfs/dbraw/zinc/52/31/92/707523192.db2.gz IMERAXBLRRTHLO-DQPZFDDXSA-N 2 0 334.464 1.936 20 0 EDADRP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004878788 707550664 /nfs/dbraw/zinc/55/06/64/707550664.db2.gz QUECYVZYEADXIT-QAPCUYQASA-N 2 0 347.507 1.764 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999089 707682731 /nfs/dbraw/zinc/68/27/31/707682731.db2.gz WTTYZGSHZHMNQW-DLBZAZTESA-N 2 0 346.479 1.035 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1)C12CC[NH+](CC1)C2 ZINC001032733710 707741751 /nfs/dbraw/zinc/74/17/51/707741751.db2.gz HQRZSVSZGMLGGI-GJZGRUSLSA-N 2 0 331.485 1.672 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001033417270 707799304 /nfs/dbraw/zinc/79/93/04/707799304.db2.gz VSPPSWBMDHIKLU-YOEHRIQHSA-N 2 0 329.460 1.378 20 0 EDADRP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004991313 707855419 /nfs/dbraw/zinc/85/54/19/707855419.db2.gz LFGANTVVRXCLQG-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983830 707866993 /nfs/dbraw/zinc/86/69/93/707866993.db2.gz SGICWNWAPKICJL-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033228645 707869420 /nfs/dbraw/zinc/86/94/20/707869420.db2.gz MTPOPIMBCXBUDC-SFHVURJKSA-N 2 0 349.519 1.964 20 0 EDADRP CCc1[nH]nc(Cl)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000921733384 707921135 /nfs/dbraw/zinc/92/11/35/707921135.db2.gz NZPGQBCCPJDREU-LBPRGKRZSA-N 2 0 325.888 1.884 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033474829 707964676 /nfs/dbraw/zinc/96/46/76/707964676.db2.gz KUHCEIICZLIJLD-SFHVURJKSA-N 2 0 330.476 1.846 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CCc3cnn(C)c3)C2)CC1 ZINC001033530697 708153081 /nfs/dbraw/zinc/15/30/81/708153081.db2.gz GKGYEWXGXXSMEO-SFHVURJKSA-N 2 0 347.507 1.227 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033579990 708260100 /nfs/dbraw/zinc/26/01/00/708260100.db2.gz CCGADRPXIWZQJE-FUHWJXTLSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)n1 ZINC001033582392 708265616 /nfs/dbraw/zinc/26/56/16/708265616.db2.gz OQKQVHASJXUVPY-HZPDHXFCSA-N 2 0 349.479 1.185 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1C ZINC001033663474 708443492 /nfs/dbraw/zinc/44/34/92/708443492.db2.gz VYKCEBHHGHXKJR-ZWKOTPCHSA-N 2 0 345.487 1.988 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043538 708534106 /nfs/dbraw/zinc/53/41/06/708534106.db2.gz RBTCRPXCDDFSQE-UHFFFAOYSA-N 2 0 345.491 1.153 20 0 EDADRP Cc1cncc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001002121131 708635054 /nfs/dbraw/zinc/63/50/54/708635054.db2.gz OJYHJSCDDAEUJR-SFHVURJKSA-N 2 0 330.476 1.670 20 0 EDADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001002143757 708657609 /nfs/dbraw/zinc/65/76/09/708657609.db2.gz BVAWVMJDPQDNPN-AWEZNQCLSA-N 2 0 346.475 1.064 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033830965 708852508 /nfs/dbraw/zinc/85/25/08/708852508.db2.gz QRXVAIDNTKFKFC-IEBWSBKVSA-N 2 0 349.519 1.820 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC001002459455 708983039 /nfs/dbraw/zinc/98/30/39/708983039.db2.gz ICVSZFTUWUTKGU-QZTJIDSGSA-N 2 0 349.450 1.534 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357457641 708990966 /nfs/dbraw/zinc/99/09/66/708990966.db2.gz PDAFALJDZWBTGX-OALUTQOASA-N 2 0 345.487 1.734 20 0 EDADRP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC001002480578 709030539 /nfs/dbraw/zinc/03/05/39/709030539.db2.gz NLRVVDJZSASEAJ-QGZVFWFLSA-N 2 0 345.491 1.322 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)cc1F ZINC001002534955 709092366 /nfs/dbraw/zinc/09/23/66/709092366.db2.gz NIAZAXYNNXMXFY-GOSISDBHSA-N 2 0 349.450 1.545 20 0 EDADRP CN(C(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC001005473882 709109557 /nfs/dbraw/zinc/10/95/57/709109557.db2.gz BGQCKKQUXHUJKT-UHFFFAOYSA-N 2 0 325.478 1.338 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033938549 709143157 /nfs/dbraw/zinc/14/31/57/709143157.db2.gz YGQTUTNAVOYRRV-OKZBNKHCSA-N 2 0 347.507 1.536 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033942358 709149246 /nfs/dbraw/zinc/14/92/46/709149246.db2.gz ZUCDGFMUCLKTSZ-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001034039404 709272353 /nfs/dbraw/zinc/27/23/53/709272353.db2.gz IISCJJJYAQGKHX-ZWKOTPCHSA-N 2 0 347.507 1.374 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002792443 709400558 /nfs/dbraw/zinc/40/05/58/709400558.db2.gz OAPPBPBSPKOEQK-MRXNPFEDSA-N 2 0 334.464 1.936 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002835654 709447493 /nfs/dbraw/zinc/44/74/93/709447493.db2.gz ZEULLHLIHJIABF-ZWKOTPCHSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H](F)CC[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001002837168 709448572 /nfs/dbraw/zinc/44/85/72/709448572.db2.gz CFOFAXOYGSPZJR-AWEZNQCLSA-N 2 0 339.459 1.387 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001002851479 709461998 /nfs/dbraw/zinc/46/19/98/709461998.db2.gz ITPUCAAKDOPWSQ-CZUORRHYSA-N 2 0 334.464 1.712 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CC[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001002860100 709468361 /nfs/dbraw/zinc/46/83/61/709468361.db2.gz XQYJXGAWMDHQAP-FGTMMUONSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034209689 709559418 /nfs/dbraw/zinc/55/94/18/709559418.db2.gz LAFVAIKGXJKLPR-KRWDZBQOSA-N 2 0 347.507 1.995 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034239287 709621527 /nfs/dbraw/zinc/62/15/27/709621527.db2.gz UGEWDJWRVWIDLI-IRXDYDNUSA-N 2 0 325.497 1.317 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321060 709771022 /nfs/dbraw/zinc/77/10/22/709771022.db2.gz PZMXCAJJOGXCAW-VZDIDWBNSA-N 2 0 333.476 1.230 20 0 EDADRP CC(C)=CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321994 709773491 /nfs/dbraw/zinc/77/34/91/709773491.db2.gz YEZDNRDKJLBAOK-NRGCRIOASA-N 2 0 347.503 1.787 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702808702 709855742 /nfs/dbraw/zinc/85/57/42/709855742.db2.gz HXEBRWUUJNXBFB-HOCLYGCPSA-N 2 0 341.496 1.677 20 0 EDADRP CC[C@H](C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1)OC ZINC001034378021 709899093 /nfs/dbraw/zinc/89/90/93/709899093.db2.gz NRFCVDGURJCYIJ-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034396439 709935433 /nfs/dbraw/zinc/93/54/33/709935433.db2.gz FRBYOEHABIVLKD-SJORKVTESA-N 2 0 333.480 1.338 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)cn1 ZINC001034437158 710011239 /nfs/dbraw/zinc/01/12/39/710011239.db2.gz WKFPWDHFAGXXON-GOSISDBHSA-N 2 0 347.507 1.829 20 0 EDADRP CO[C@H](C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001034491564 710111430 /nfs/dbraw/zinc/11/14/30/710111430.db2.gz UTCDWFZOPCROGJ-QZTJIDSGSA-N 2 0 349.519 1.868 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C1)c1ccccc1 ZINC001032838310 710279324 /nfs/dbraw/zinc/27/93/24/710279324.db2.gz ICDWAHLSNSBIRN-KZNAEPCWSA-N 2 0 331.460 1.659 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034608098 710300186 /nfs/dbraw/zinc/30/01/86/710300186.db2.gz XUBZEHFSWMVRMN-NGFQHRJXSA-N 2 0 335.452 1.550 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001034647322 710323743 /nfs/dbraw/zinc/32/37/43/710323743.db2.gz DZUQFQNULSSPLT-CWQOZTLDSA-N 2 0 337.508 1.770 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034647963 710324676 /nfs/dbraw/zinc/32/46/76/710324676.db2.gz BXHYIGXCNCMKNC-ULQDDVLXSA-N 2 0 346.475 1.842 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001034647892 710324718 /nfs/dbraw/zinc/32/47/18/710324718.db2.gz AHJFHGDFWHEPCV-BZSNNMDCSA-N 2 0 345.491 1.279 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034648570 710325271 /nfs/dbraw/zinc/32/52/71/710325271.db2.gz MBKHOEBNVWZICK-CADBVGFASA-N 2 0 349.519 1.914 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034663420 710332372 /nfs/dbraw/zinc/33/23/72/710332372.db2.gz XMRQGDLEUQTBIJ-YHUYYLMFSA-N 2 0 338.496 1.140 20 0 EDADRP Cc1ncc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC001003631159 710460282 /nfs/dbraw/zinc/46/02/82/710460282.db2.gz RWTFICJFTHDZBR-BLLLJJGKSA-N 2 0 336.505 1.730 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003631178 710460413 /nfs/dbraw/zinc/46/04/13/710460413.db2.gz SIWAWLHGXAHEHK-QFBILLFUSA-N 2 0 345.487 1.844 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034659445 710588566 /nfs/dbraw/zinc/58/85/66/710588566.db2.gz UTKMWZJOISPKNR-JYJNAYRXSA-N 2 0 348.495 1.207 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034662109 710593702 /nfs/dbraw/zinc/59/37/02/710593702.db2.gz DADRIJHISKQDGH-BFYDXBDKSA-N 2 0 349.479 1.850 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005593203 710641501 /nfs/dbraw/zinc/64/15/01/710641501.db2.gz RDQUIPHCPOIQEK-SFHVURJKSA-N 2 0 347.507 1.636 20 0 EDADRP Cc1nc2c([nH]1)C[C@@H](C(=O)N(C)C1CC[NH+](C[C@H](C)O)CC1)CC2 ZINC001005622799 710739427 /nfs/dbraw/zinc/73/94/27/710739427.db2.gz LPGNIUIVWKTZRQ-JSGCOSHPSA-N 2 0 334.464 1.127 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)CC1 ZINC001034721112 710872884 /nfs/dbraw/zinc/87/28/84/710872884.db2.gz JSZDOLZTUYVNCS-KZNAEPCWSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034734659 710916979 /nfs/dbraw/zinc/91/69/79/710916979.db2.gz URYPVRGVYVUMIA-XMTFNYHQSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)no1 ZINC001034737011 710947778 /nfs/dbraw/zinc/94/77/78/710947778.db2.gz GNOYZZPCKKSYRM-QEWYBTABSA-N 2 0 334.464 1.698 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCCO3)CC2)C1 ZINC001034775470 711048585 /nfs/dbraw/zinc/04/85/85/711048585.db2.gz AHEPDKHEWPGPJQ-XSLAGTTESA-N 2 0 337.508 1.914 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005712957 711087025 /nfs/dbraw/zinc/08/70/25/711087025.db2.gz KXSONVJQPAJKCT-INIZCTEOSA-N 2 0 343.431 1.135 20 0 EDADRP COc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC001034791613 711116251 /nfs/dbraw/zinc/11/62/51/711116251.db2.gz NVAJBFRQAFLWFF-ULQDDVLXSA-N 2 0 346.475 1.559 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034791661 711116925 /nfs/dbraw/zinc/11/69/25/711116925.db2.gz PJYHQIBUHZTPHQ-BRWVUGGUSA-N 2 0 346.475 1.559 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001034792459 711119552 /nfs/dbraw/zinc/11/95/52/711119552.db2.gz JRKQWUPOKGIRSP-VQHPVUNQSA-N 2 0 337.508 1.770 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003971475 711123379 /nfs/dbraw/zinc/12/33/79/711123379.db2.gz PYFMQZFBKBLWQJ-QGZVFWFLSA-N 2 0 345.487 1.988 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797139 711130705 /nfs/dbraw/zinc/13/07/05/711130705.db2.gz WVEMUAJIIAUELC-DSPLQEQRSA-N 2 0 347.507 1.810 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CC1CCOCC1 ZINC001034933898 711359386 /nfs/dbraw/zinc/35/93/86/711359386.db2.gz DLIYHEVHRAADFL-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001034942307 711395328 /nfs/dbraw/zinc/39/53/28/711395328.db2.gz UAXUIMWENWIXQX-IAGOWNOFSA-N 2 0 332.448 1.405 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnoc1C ZINC001034954680 711421051 /nfs/dbraw/zinc/42/10/51/711421051.db2.gz SXBAEUJOOCVPOI-SJORKVTESA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034959127 711433406 /nfs/dbraw/zinc/43/34/06/711433406.db2.gz SJTTXWLGDDNLNQ-MSOLQXFVSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)o1 ZINC001034941349 711446117 /nfs/dbraw/zinc/44/61/17/711446117.db2.gz NIGHPXZERJHDMU-WBVHZDCISA-N 2 0 332.448 1.405 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1C ZINC000922391126 711455461 /nfs/dbraw/zinc/45/54/61/711455461.db2.gz SOHRFBVQURCNIW-NWGLXNPWSA-N 2 0 349.475 1.381 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)[C@H]1C(C)C ZINC000922393913 711459405 /nfs/dbraw/zinc/45/94/05/711459405.db2.gz LPIYRMQPCPSZOO-MKXGPGLRSA-N 2 0 332.492 1.789 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@H]1C(C)C ZINC000922394348 711460624 /nfs/dbraw/zinc/46/06/24/711460624.db2.gz VOARBEKYTLLVBZ-SOAMZJECSA-N 2 0 345.487 1.745 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H](O)c3ccccc3F)CC2)C1 ZINC001004149508 711563312 /nfs/dbraw/zinc/56/33/12/711563312.db2.gz KGCKQVUDJDAYLZ-KDOFPFPSSA-N 2 0 349.450 1.391 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)C1CCCC1 ZINC001004149972 711564779 /nfs/dbraw/zinc/56/47/79/711564779.db2.gz PJEBGHRVZAQNCW-FUHWJXTLSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127300 711877644 /nfs/dbraw/zinc/87/76/44/711877644.db2.gz UOEQEAWGHQOGJM-QZTJIDSGSA-N 2 0 347.507 1.370 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033140772 711940315 /nfs/dbraw/zinc/94/03/15/711940315.db2.gz JIRJINQFPPSTPL-MSOLQXFVSA-N 2 0 335.492 1.573 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+](C)C[C@@H]2c2ccccc2)C1 ZINC001033439775 712589506 /nfs/dbraw/zinc/58/95/06/712589506.db2.gz JGTFLUZYWQADGP-QRVBRYPASA-N 2 0 345.487 1.511 20 0 EDADRP CCc1[nH+]c2ccccc2c(N2CCN(CC(=O)NC)CC2)c1C ZINC000558392109 306237459 /nfs/dbraw/zinc/23/74/59/306237459.db2.gz RLOGMNJIBNXQMI-UHFFFAOYSA-N 2 0 326.444 1.974 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000558713914 306245411 /nfs/dbraw/zinc/24/54/11/306245411.db2.gz YDYNOMQHNUWWTA-ZFWWWQNUSA-N 2 0 335.423 1.831 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000417535928 290690927 /nfs/dbraw/zinc/69/09/27/290690927.db2.gz CMUZBKGFECBTJN-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CC([N@H+](C)Cc3ccccc3)C2)C[C@@H](C)O1 ZINC000349111015 539396626 /nfs/dbraw/zinc/39/66/26/539396626.db2.gz VLUPPWBYNPYPDC-MBOZVWFJSA-N 2 0 347.503 1.273 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCCc3ccccc3CC2)C1=O ZINC000560074633 306260743 /nfs/dbraw/zinc/26/07/43/306260743.db2.gz GBFJZNHGBPVROQ-SFHVURJKSA-N 2 0 343.471 1.557 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCC1 ZINC000412264480 303989323 /nfs/dbraw/zinc/98/93/23/303989323.db2.gz ASRVXKCEVOXFOJ-HNNXBMFYSA-N 2 0 325.522 1.804 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000560944275 306281134 /nfs/dbraw/zinc/28/11/34/306281134.db2.gz CZGYTYZQHFIUSU-INIZCTEOSA-N 2 0 337.489 1.490 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000333876572 539656146 /nfs/dbraw/zinc/65/61/46/539656146.db2.gz VKKILJGBLHODPL-ZBFHGGJFSA-N 2 0 331.526 1.414 20 0 EDADRP OCC[C@H]1CCCCC[N@@H+]1C[C@H](O)C[NH+]1CCCCC[C@H]1CCO ZINC000342041273 539756300 /nfs/dbraw/zinc/75/63/00/539756300.db2.gz BSSPVUHSOHGMDX-BWTSREIZSA-N 2 0 342.524 1.601 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000342972925 539767874 /nfs/dbraw/zinc/76/78/74/539767874.db2.gz ADAKSSNILLLRIA-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000342980158 539769628 /nfs/dbraw/zinc/76/96/28/539769628.db2.gz BTTLPEJBCQAADO-OAHLLOKOSA-N 2 0 348.491 1.211 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@H](C)CCC[C@@H]2C)C1 ZINC000075021031 535117513 /nfs/dbraw/zinc/11/75/13/535117513.db2.gz RRICOHJNAPENHO-IXDOHACOSA-N 2 0 325.497 1.722 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1 ZINC000562839295 306311014 /nfs/dbraw/zinc/31/10/14/306311014.db2.gz LGIHTQDPEXLOQM-GGPKGHCWSA-N 3 0 347.503 1.956 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000562997115 306315009 /nfs/dbraw/zinc/31/50/09/306315009.db2.gz KWBZYPWSIHOXGJ-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP CC[NH+](CC)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412781214 304036856 /nfs/dbraw/zinc/03/68/56/304036856.db2.gz SVCKBSNQCJYNMQ-UHFFFAOYSA-N 2 0 333.476 1.472 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H](C)[NH2+]C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157662 306320895 /nfs/dbraw/zinc/32/08/95/306320895.db2.gz KRPWLWQMYJLULY-HOCLYGCPSA-N 2 0 345.491 1.514 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000184251116 235347538 /nfs/dbraw/zinc/34/75/38/235347538.db2.gz XYENAHRIRVKGFY-UHFFFAOYSA-N 2 0 343.431 1.413 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000563446051 306333745 /nfs/dbraw/zinc/33/37/45/306333745.db2.gz JJCFGCKFTFTKLJ-UHFFFAOYSA-N 2 0 342.443 1.039 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000123640926 138320199 /nfs/dbraw/zinc/32/01/99/138320199.db2.gz FHBUWVSGTYJQFK-KRWDZBQOSA-N 2 0 328.497 1.597 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000410766868 283231897 /nfs/dbraw/zinc/23/18/97/283231897.db2.gz MDHNUATYMMBGIR-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000563874828 306350921 /nfs/dbraw/zinc/35/09/21/306350921.db2.gz NOMVCRLPQKGFHI-KGLIPLIRSA-N 2 0 338.477 1.173 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000351744106 283320447 /nfs/dbraw/zinc/32/04/47/283320447.db2.gz JTVWQDLILBZPNT-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000564065134 306354701 /nfs/dbraw/zinc/35/47/01/306354701.db2.gz KFVYSMBJCCKKFG-YYQUZTFQSA-N 2 0 326.444 1.624 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321459 306358226 /nfs/dbraw/zinc/35/82/26/306358226.db2.gz KZFGMBKIUOUPND-HUUCEWRRSA-N 2 0 336.432 1.477 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000417836228 296030175 /nfs/dbraw/zinc/03/01/75/296030175.db2.gz UUERAPPLCFNRKF-DYVFJYSZSA-N 2 0 336.505 1.943 20 0 EDADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000565420741 306383533 /nfs/dbraw/zinc/38/35/33/306383533.db2.gz OLPXUDRFTSJOCA-HDMKZQKVSA-N 2 0 347.459 1.324 20 0 EDADRP C[C@@H]1CCCN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000071872540 201171056 /nfs/dbraw/zinc/17/10/56/201171056.db2.gz YQBCZCHXUCWCGR-MRXNPFEDSA-N 2 0 348.557 1.169 20 0 EDADRP CCO[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000451544683 305352574 /nfs/dbraw/zinc/35/25/74/305352574.db2.gz QFNJIPFZAQMMJD-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414732370 304134216 /nfs/dbraw/zinc/13/42/16/304134216.db2.gz AAMLGWDWBUKOPK-HNNXBMFYSA-N 2 0 349.475 1.723 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)([NH+](C)C)C1 ZINC000414736865 304134928 /nfs/dbraw/zinc/13/49/28/304134928.db2.gz DGMVFKAYQXSZPD-KUHUBIRLSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000414735930 304134891 /nfs/dbraw/zinc/13/48/91/304134891.db2.gz MERDKIXWAWGNLL-YOEHRIQHSA-N 2 0 344.459 1.732 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(Cc3cccnc3)CC2)C1 ZINC000414739005 304135150 /nfs/dbraw/zinc/13/51/50/304135150.db2.gz JNVQVXLACQXBDO-GOSISDBHSA-N 2 0 330.476 1.533 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C[NH+]1CCCC1 ZINC000414743055 304136078 /nfs/dbraw/zinc/13/60/78/304136078.db2.gz UYFUIOXQSJRLKK-CQSZACIVSA-N 2 0 344.459 1.119 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC000414743206 304136135 /nfs/dbraw/zinc/13/61/35/304136135.db2.gz UNKJWFCYQUMACT-KRWDZBQOSA-N 2 0 346.475 1.581 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000566482592 306416280 /nfs/dbraw/zinc/41/62/80/306416280.db2.gz PDEVJABITYLEPD-HZPDHXFCSA-N 2 0 337.489 1.831 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000414784002 304140509 /nfs/dbraw/zinc/14/05/09/304140509.db2.gz KDACDAZIVFMLKT-HNNXBMFYSA-N 2 0 346.475 1.581 20 0 EDADRP CCOc1cc(C[NH2+]CC[C@@H](C)[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000414818384 304144727 /nfs/dbraw/zinc/14/47/27/304144727.db2.gz DXAUAHSFKTXPDP-KGLIPLIRSA-N 2 0 337.464 1.768 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414842966 304146958 /nfs/dbraw/zinc/14/69/58/304146958.db2.gz ZWNFQODNXPYAJP-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000414844821 304147079 /nfs/dbraw/zinc/14/70/79/304147079.db2.gz CYCAWROIRLGQLJ-KRWDZBQOSA-N 2 0 344.459 1.561 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000073202925 203260141 /nfs/dbraw/zinc/26/01/41/203260141.db2.gz BKVXQSPMDVBGRB-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CCOc2cccc(Cl)c2)C1 ZINC000415074524 304157821 /nfs/dbraw/zinc/15/78/21/304157821.db2.gz ALBXHEXFUYFKSQ-ZDUSSCGKSA-N 2 0 325.840 1.506 20 0 EDADRP COc1cc(CN2CC[C@@H]([NH2+]C[C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000415091361 304158586 /nfs/dbraw/zinc/15/85/86/304158586.db2.gz YZFYYOBLDYLIRD-NVXWUHKLSA-N 2 0 333.476 1.867 20 0 EDADRP COc1cccc(OCCC[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000415115512 304160870 /nfs/dbraw/zinc/16/08/70/304160870.db2.gz HDOIPCLOIDKMKC-OAHLLOKOSA-N 2 0 335.448 1.251 20 0 EDADRP CC(C)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1(CO)CCCC1 ZINC000415108370 304161004 /nfs/dbraw/zinc/16/10/04/304161004.db2.gz QATIXINQAMVIDH-DOTOQJQBSA-N 2 0 325.497 1.351 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415132719 304162706 /nfs/dbraw/zinc/16/27/06/304162706.db2.gz UKIWNILHEOIAAX-GDBMZVCRSA-N 2 0 349.475 1.627 20 0 EDADRP Cc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415136006 304163166 /nfs/dbraw/zinc/16/31/66/304163166.db2.gz GTWHVUPOXLKMGX-ZWKOTPCHSA-N 2 0 328.460 1.715 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000195133310 139007534 /nfs/dbraw/zinc/00/75/34/139007534.db2.gz TYEFSUDGTMEILM-SJLPKXTDSA-N 2 0 331.460 1.948 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415146095 304164694 /nfs/dbraw/zinc/16/46/94/304164694.db2.gz GCBDSHBOJFPHBQ-HZPDHXFCSA-N 2 0 330.432 1.169 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000237200085 139043693 /nfs/dbraw/zinc/04/36/93/139043693.db2.gz ZMRSABSXBPXSRK-UHFFFAOYSA-N 2 0 333.476 1.771 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@](C)(C[NH3+])C3CC3)cc2)CC1 ZINC000237214331 139044570 /nfs/dbraw/zinc/04/45/70/139044570.db2.gz VRBVWRUXYNDGMV-IBGZPJMESA-N 2 0 330.476 1.291 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000237718463 139058460 /nfs/dbraw/zinc/05/84/60/139058460.db2.gz KMADUVJPEXMIHY-GOSISDBHSA-N 2 0 330.476 1.457 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)Nc1ccc(CN2CCOCC2)cc1 ZINC000237912011 139063669 /nfs/dbraw/zinc/06/36/69/139063669.db2.gz HPDHQYBGZRCPHX-KRWDZBQOSA-N 2 0 333.432 1.226 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1C[NH2+]CCO1 ZINC000238074277 139068312 /nfs/dbraw/zinc/06/83/12/139068312.db2.gz GDMYBJDDUUOQQM-SFHVURJKSA-N 2 0 331.460 1.667 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415277796 304183793 /nfs/dbraw/zinc/18/37/93/304183793.db2.gz FYNKGQZOZXILQU-AWEZNQCLSA-N 2 0 344.459 1.119 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000246427841 139108019 /nfs/dbraw/zinc/10/80/19/139108019.db2.gz MNPLIRBWHBFZKH-ILXRZTDVSA-N 2 0 337.468 1.236 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000415344375 304198938 /nfs/dbraw/zinc/19/89/38/304198938.db2.gz DJAIGENIFSOOCM-HOCLYGCPSA-N 2 0 346.475 1.499 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248164817 139158951 /nfs/dbraw/zinc/15/89/51/139158951.db2.gz STHOMUDGVUZUIL-IAGOWNOFSA-N 2 0 344.459 1.558 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000352526616 284724267 /nfs/dbraw/zinc/72/42/67/284724267.db2.gz PRWSUHATFWRXSA-HNNXBMFYSA-N 2 0 333.480 1.294 20 0 EDADRP CCC(CC)(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000568857744 306490494 /nfs/dbraw/zinc/49/04/94/306490494.db2.gz NXMCYQIEUUWWHC-LJQANCHMSA-N 2 0 333.520 1.942 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248709347 139172620 /nfs/dbraw/zinc/17/26/20/139172620.db2.gz BWQQWNZUMSRLOZ-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CN(C(=O)c1csc(CC[NH3+])n1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261543638 139208658 /nfs/dbraw/zinc/20/86/58/139208658.db2.gz DCWVTQWYXXHJAL-OAHLLOKOSA-N 2 0 344.484 1.991 20 0 EDADRP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561742 139209101 /nfs/dbraw/zinc/20/91/01/139209101.db2.gz VTDFAEBOGCCZIO-CGTJXYLNSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000261654500 139214805 /nfs/dbraw/zinc/21/48/05/139214805.db2.gz FSKDFDXHNZDHRA-NVXWUHKLSA-N 2 0 330.476 1.243 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]([NH3+])C3CCOCC3)c2)CC1 ZINC000261678321 139216773 /nfs/dbraw/zinc/21/67/73/139216773.db2.gz GTQOTWIFTAPXBG-GOSISDBHSA-N 2 0 346.475 1.126 20 0 EDADRP CCOC(=O)c1cnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000261745704 139222474 /nfs/dbraw/zinc/22/24/74/139222474.db2.gz BSXBWCSDKYNKBG-UHFFFAOYSA-N 2 0 338.477 1.441 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000261923193 139237357 /nfs/dbraw/zinc/23/73/57/139237357.db2.gz ZSGHXHWFHZQNGX-HOTGVXAUSA-N 2 0 330.476 1.638 20 0 EDADRP C[C@@]1(CN2CCC(NS(=O)(=O)c3cccs3)CC2)CC[NH2+]C1 ZINC000261953957 139239609 /nfs/dbraw/zinc/23/96/09/139239609.db2.gz GJRCPVWYAQRBTE-OAHLLOKOSA-N 2 0 343.518 1.490 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2cc(F)cc(F)c2)CC1 ZINC000261969695 139240724 /nfs/dbraw/zinc/24/07/24/139240724.db2.gz CTJUFVFULJEFJL-UHFFFAOYSA-N 2 0 325.403 1.903 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262030021 139245065 /nfs/dbraw/zinc/24/50/65/139245065.db2.gz BMIMDXLRULOJKI-CQSZACIVSA-N 2 0 349.450 1.641 20 0 EDADRP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC1 ZINC000262031931 139245294 /nfs/dbraw/zinc/24/52/94/139245294.db2.gz XQIAVAKWNAUKRX-ZACQAIPSSA-N 2 0 347.459 1.631 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]([NH3+])C2CCOCC2)CC1 ZINC000262028149 139245011 /nfs/dbraw/zinc/24/50/11/139245011.db2.gz PFCOYANCGZFINH-QGZVFWFLSA-N 2 0 325.497 1.615 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cn1 ZINC000262098017 139250746 /nfs/dbraw/zinc/25/07/46/139250746.db2.gz DMZOTVRJOMKMCU-SJORKVTESA-N 2 0 347.507 1.304 20 0 EDADRP COc1cc2c(c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c1)O[C@@H](C)C2 ZINC000262113424 139251970 /nfs/dbraw/zinc/25/19/70/139251970.db2.gz KSNMRMRFNKJYAK-YOEHRIQHSA-N 2 0 331.460 1.498 20 0 EDADRP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110082 139251623 /nfs/dbraw/zinc/25/16/23/139251623.db2.gz KEKLWSWIMGTDBV-ICSRJNTNSA-N 2 0 345.487 1.724 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150281 251054555 /nfs/dbraw/zinc/05/45/55/251054555.db2.gz JFVQNLCZRADLHJ-IBGZPJMESA-N 2 0 345.487 1.662 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(F)c1 ZINC000416832079 251112212 /nfs/dbraw/zinc/11/22/12/251112212.db2.gz IETXIOBZVQQFMD-USXIJHARSA-N 2 0 334.439 1.822 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416877408 251115798 /nfs/dbraw/zinc/11/57/98/251115798.db2.gz ULYITTMNOPNMFI-HDICACEKSA-N 2 0 328.460 1.643 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000416876383 251116364 /nfs/dbraw/zinc/11/63/64/251116364.db2.gz SCNZTRZQUGKHRJ-SFHVURJKSA-N 2 0 346.475 1.542 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000417009612 251128466 /nfs/dbraw/zinc/12/84/66/251128466.db2.gz NSYDLPTVGCPSHY-QZTJIDSGSA-N 2 0 348.491 1.309 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417016813 251135260 /nfs/dbraw/zinc/13/52/60/251135260.db2.gz ITDCDIOHZFBVBH-KRWDZBQOSA-N 2 0 347.507 1.183 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262311569 139268970 /nfs/dbraw/zinc/26/89/70/139268970.db2.gz SSDTYMAMOFDWCX-QZTJIDSGSA-N 2 0 344.503 1.832 20 0 EDADRP [NH3+]CC1(C(=O)NCCc2nccn2Cc2ccccc2)CCOCC1 ZINC000262329029 139270617 /nfs/dbraw/zinc/27/06/17/139270617.db2.gz SCPLSXNHUZXGQP-UHFFFAOYSA-N 2 0 342.443 1.346 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccsc1 ZINC000417024568 251138316 /nfs/dbraw/zinc/13/83/16/251138316.db2.gz XITOMCYNGIEUCY-KGLIPLIRSA-N 2 0 326.466 1.110 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@](C)(C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417306827 251154312 /nfs/dbraw/zinc/15/43/12/251154312.db2.gz ATWLHTQQVIKFAZ-BEFAXECRSA-N 2 0 330.476 1.814 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccco1 ZINC000417314093 251156134 /nfs/dbraw/zinc/15/61/34/251156134.db2.gz QOUVUNRBHHEAOQ-NEPJUHHUSA-N 2 0 332.395 1.944 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417594388 251201780 /nfs/dbraw/zinc/20/17/80/251201780.db2.gz MQGGFVQYSMHMDI-PIIMJCKOSA-N 2 0 344.459 1.178 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000262393718 139275733 /nfs/dbraw/zinc/27/57/33/139275733.db2.gz OMBXVPYKSIOWNK-VQIMIIECSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000417660864 251217805 /nfs/dbraw/zinc/21/78/05/251217805.db2.gz NXXVTQQJQSBEES-UGFHNGPFSA-N 2 0 340.418 1.865 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N1CCC(OCCC[NH3+])CC1)C(C)(C)C ZINC000417680986 251226922 /nfs/dbraw/zinc/22/69/22/251226922.db2.gz OTDVKDGVLJBGNU-MRXNPFEDSA-N 2 0 342.528 1.892 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417826691 251286477 /nfs/dbraw/zinc/28/64/77/251286477.db2.gz OPMHRDNNRHVFNK-MRXNPFEDSA-N 2 0 348.491 1.704 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417800585 251275351 /nfs/dbraw/zinc/27/53/51/251275351.db2.gz CDNROIQTZOUWRS-MRXNPFEDSA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417803339 251276218 /nfs/dbraw/zinc/27/62/18/251276218.db2.gz FLSRYDVEXJOWJO-KRWDZBQOSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000417815336 251280323 /nfs/dbraw/zinc/28/03/23/251280323.db2.gz BWJSUFJGMIJSRF-JFIYKMOQSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000417815335 251280369 /nfs/dbraw/zinc/28/03/69/251280369.db2.gz BWJSUFJGMIJSRF-BQFCYCMXSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417872700 251307680 /nfs/dbraw/zinc/30/76/80/251307680.db2.gz LDTMOMMYEMIGJJ-OWLYRPNTSA-N 2 0 328.460 1.510 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108469 251325020 /nfs/dbraw/zinc/32/50/20/251325020.db2.gz RMBSZDLMXGKUQT-SJLPKXTDSA-N 2 0 330.476 1.807 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418109261 251325362 /nfs/dbraw/zinc/32/53/62/251325362.db2.gz TWQNOHGEUKJAPO-QGZVFWFLSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC000418113392 251326270 /nfs/dbraw/zinc/32/62/70/251326270.db2.gz JHZOXOBMPSDHJL-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC([NH3+])(CC)CC)C[C@H]1CC ZINC000418444796 251372304 /nfs/dbraw/zinc/37/23/04/251372304.db2.gz XBHRJGJLGUMFOB-OAHLLOKOSA-N 2 0 328.501 1.646 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000418136775 251341489 /nfs/dbraw/zinc/34/14/89/251341489.db2.gz ILDGCLKTCQSKMB-MSOLQXFVSA-N 2 0 330.476 1.900 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[NH+](C)CC1 ZINC000418195443 251353593 /nfs/dbraw/zinc/35/35/93/251353593.db2.gz FYUQIBAKRVSYOL-LLVKDONJSA-N 2 0 336.452 1.110 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418198445 251355178 /nfs/dbraw/zinc/35/51/78/251355178.db2.gz VHKZGESBBGGUIX-GOEBONIOSA-N 2 0 349.479 1.339 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418201547 251356121 /nfs/dbraw/zinc/35/61/21/251356121.db2.gz BBKQODDJKIEGGF-GOSISDBHSA-N 2 0 346.475 1.410 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418581934 251379120 /nfs/dbraw/zinc/37/91/20/251379120.db2.gz MMCKSJYUYWJYIC-KGLIPLIRSA-N 2 0 333.436 1.192 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000418708052 251389336 /nfs/dbraw/zinc/38/93/36/251389336.db2.gz UCBRCSFIWPRJTN-NWDGAFQWSA-N 2 0 328.407 1.774 20 0 EDADRP CCC[NH+]1CCC([N@H+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000176636023 207246109 /nfs/dbraw/zinc/24/61/09/207246109.db2.gz UWFAJKAOVPWKAQ-OAHLLOKOSA-N 2 0 331.526 1.464 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262680816 139295877 /nfs/dbraw/zinc/29/58/77/139295877.db2.gz XAYSBGXFTVJRBY-KRWDZBQOSA-N 2 0 346.475 1.256 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCCO2 ZINC000420346270 251688967 /nfs/dbraw/zinc/68/89/67/251688967.db2.gz XYJNRPXDUXPVQC-GJZGRUSLSA-N 2 0 345.443 1.718 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(C(=O)CCc2ccccc2)C1 ZINC000422872779 252006898 /nfs/dbraw/zinc/00/68/98/252006898.db2.gz IPNLZXULRXFGTJ-ZWKOTPCHSA-N 2 0 333.476 1.564 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422852304 252000390 /nfs/dbraw/zinc/00/03/90/252000390.db2.gz AJEGNJVVQZEMCH-CYZMBNFOSA-N 2 0 333.354 1.865 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044099 252027165 /nfs/dbraw/zinc/02/71/65/252027165.db2.gz ATOCPWVCKZOQIX-NVXWUHKLSA-N 2 0 337.489 1.834 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)Cc2cccc(C)c2)CC[NH2+]CC1 ZINC000423065035 252031684 /nfs/dbraw/zinc/03/16/84/252031684.db2.gz ATWXAOWVFSECCK-SJLPKXTDSA-N 2 0 348.487 1.809 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn(CCCC[NH3+])nn2)([NH+](C)C)C1 ZINC000423353236 252050406 /nfs/dbraw/zinc/05/04/06/252050406.db2.gz LKTYXJDAIHBPHY-PBHICJAKSA-N 2 0 336.484 1.257 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000422906396 252018571 /nfs/dbraw/zinc/01/85/71/252018571.db2.gz UZVKKTZJSKZZKG-ZWKOTPCHSA-N 2 0 331.460 1.766 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913232 252019600 /nfs/dbraw/zinc/01/96/00/252019600.db2.gz POTPRRGNJNPDDM-LPHOPBHVSA-N 2 0 344.503 1.600 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422912032 252020348 /nfs/dbraw/zinc/02/03/48/252020348.db2.gz MFCHBBGCRZSWQR-JWTNVVGKSA-N 3 0 330.476 1.351 20 0 EDADRP CO[C@@H](C)CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424020481 252115702 /nfs/dbraw/zinc/11/57/02/252115702.db2.gz OWJTVZLYBYASJS-INIZCTEOSA-N 2 0 333.476 1.911 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000423799937 252080483 /nfs/dbraw/zinc/08/04/83/252080483.db2.gz KYJBVRSIPNKNRE-CABCVRRESA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143889 252141269 /nfs/dbraw/zinc/14/12/69/252141269.db2.gz GTOQAYDZASECCP-JKSUJKDBSA-N 2 0 347.507 1.737 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(C)(C)C ZINC000424149287 252146235 /nfs/dbraw/zinc/14/62/35/252146235.db2.gz WHEQPRAMSHIYQR-ZFWWWQNUSA-N 2 0 336.484 1.299 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424156781 252146803 /nfs/dbraw/zinc/14/68/03/252146803.db2.gz OUBYUZKLJWIORM-HZPDHXFCSA-N 2 0 348.495 1.587 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCc1ccccc1C[NH+]1CCC(C)CC1 ZINC000262917792 139312748 /nfs/dbraw/zinc/31/27/48/139312748.db2.gz RKEUZDDPZTUURR-GOSISDBHSA-N 2 0 333.476 1.899 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424136359 252137635 /nfs/dbraw/zinc/13/76/35/252137635.db2.gz AKEMSPQAQZXUFL-JKSUJKDBSA-N 2 0 345.491 1.681 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000424279946 252190809 /nfs/dbraw/zinc/19/08/09/252190809.db2.gz GPZXGYVTJYZWST-UHFFFAOYSA-N 2 0 347.459 1.409 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[N@@H+](CC(C)(C)O)C[C@@H]2C)c1 ZINC000424428009 252225172 /nfs/dbraw/zinc/22/51/72/252225172.db2.gz RHRFEKPKSSOESO-AWEZNQCLSA-N 2 0 334.464 1.763 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000349904119 285023148 /nfs/dbraw/zinc/02/31/48/285023148.db2.gz PDWDLNLSOXEGHG-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ccc1C[NH+](C)C ZINC000415637126 304243866 /nfs/dbraw/zinc/24/38/66/304243866.db2.gz YXBBQQDREXZCDJ-CALCHBBNSA-N 2 0 344.459 1.348 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112284590 220285433 /nfs/dbraw/zinc/28/54/33/220285433.db2.gz WPAKKHRVZAENOZ-OAHLLOKOSA-N 2 0 333.480 1.294 20 0 EDADRP CC1(C)[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)C[C@@H]1OCc1ccccc1 ZINC000570271732 306534925 /nfs/dbraw/zinc/53/49/25/306534925.db2.gz XBUFAGUGEYLXKP-IRXDYDNUSA-N 2 0 331.460 1.392 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444180960 254587050 /nfs/dbraw/zinc/58/70/50/254587050.db2.gz HQFCBBGJTBYGGZ-QUCCMNQESA-N 2 0 343.471 1.777 20 0 EDADRP COCC[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263700137 139353834 /nfs/dbraw/zinc/35/38/34/139353834.db2.gz IJARECWIFJQIJG-MRXNPFEDSA-N 2 0 349.479 1.318 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@H+](C)CCOC)c1ccco1 ZINC000263802902 139361401 /nfs/dbraw/zinc/36/14/01/139361401.db2.gz WKIUPIXJZCMSQX-OAHLLOKOSA-N 2 0 340.468 1.540 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCO[C@H]1C ZINC000359526523 285248827 /nfs/dbraw/zinc/24/88/27/285248827.db2.gz VHOYMHCZVQARGA-BBWFWOEESA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000494197156 255241715 /nfs/dbraw/zinc/24/17/15/255241715.db2.gz CDKJHFRXHJUCEG-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415789190 304271370 /nfs/dbraw/zinc/27/13/70/304271370.db2.gz PIBUXOUZMHILDZ-HOCLYGCPSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000496178897 255361991 /nfs/dbraw/zinc/36/19/91/255361991.db2.gz OWQTVUCDDSLXAA-ZIAGYGMSSA-N 2 0 341.500 1.888 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000495838862 255330107 /nfs/dbraw/zinc/33/01/07/255330107.db2.gz DFUVHSGMQXLHAL-UYSNPLJNSA-N 2 0 341.496 1.725 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C ZINC000496444153 255392778 /nfs/dbraw/zinc/39/27/78/255392778.db2.gz PGHNYYLFWZBCRV-OLZOCXBDSA-N 2 0 327.473 1.498 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000264338188 139398417 /nfs/dbraw/zinc/39/84/17/139398417.db2.gz YTBDZSXWIRIFSV-KRWDZBQOSA-N 2 0 348.491 1.515 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000570827155 306551892 /nfs/dbraw/zinc/55/18/92/306551892.db2.gz KMDGDTDRGBPKAP-WMZOPIPTSA-N 2 0 346.475 1.883 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CCC([N@H+](C)CCO)CC1)c1ccccc1 ZINC000416182993 304294044 /nfs/dbraw/zinc/29/40/44/304294044.db2.gz WSGYXQUGEWZZQU-GOSISDBHSA-N 2 0 333.476 1.595 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([C@@H](C)[NH3+])C3)CC2)c1 ZINC000272297901 140432421 /nfs/dbraw/zinc/43/24/21/140432421.db2.gz QGDUGGRJDDHCSH-QZTJIDSGSA-N 2 0 344.503 1.703 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)cc2C1 ZINC000329947367 140785744 /nfs/dbraw/zinc/78/57/44/140785744.db2.gz GXYFPMBQJUVYPT-QGZVFWFLSA-N 2 0 336.439 1.838 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@H](C)O)CC1 ZINC000331318443 141007179 /nfs/dbraw/zinc/00/71/79/141007179.db2.gz KDZSAJLATWNKKP-DOTOQJQBSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)CC[NH2+]1 ZINC000331813342 141083800 /nfs/dbraw/zinc/08/38/00/141083800.db2.gz UCAROQCYERHGLD-BFYDXBDKSA-N 2 0 343.537 1.701 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000332061539 141116668 /nfs/dbraw/zinc/11/66/68/141116668.db2.gz YFAGUBVLTUNWBO-IIDMSEBBSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000332262154 141148828 /nfs/dbraw/zinc/14/88/28/141148828.db2.gz GLYOHVRCAOURIH-GUYCJALGSA-N 2 0 334.439 1.921 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@@H](C)C1 ZINC000333260486 141289044 /nfs/dbraw/zinc/28/90/44/141289044.db2.gz DUISDPICGNUIGM-UONOGXRCSA-N 2 0 332.448 1.251 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000333353084 141304187 /nfs/dbraw/zinc/30/41/87/141304187.db2.gz JWSGXPRNXDXVIF-NXOAAHMSSA-N 2 0 338.496 1.397 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481114 141324296 /nfs/dbraw/zinc/32/42/96/141324296.db2.gz CBXQCJMYNORVAY-YQQAZPJKSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333820493 141388162 /nfs/dbraw/zinc/38/81/62/141388162.db2.gz HMEKQBWYQTWRLL-QSOKESPWSA-N 2 0 337.508 1.900 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000333863132 141396325 /nfs/dbraw/zinc/39/63/25/141396325.db2.gz QJAIGBVPNMOEMD-HKUYNNGSSA-N 2 0 343.471 1.794 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@H+](C)C1CC1 ZINC000339498359 142060623 /nfs/dbraw/zinc/06/06/23/142060623.db2.gz QPILSXDDKKTBLO-GFCCVEGCSA-N 2 0 338.496 1.011 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000339542715 142071692 /nfs/dbraw/zinc/07/16/92/142071692.db2.gz MRTHRPCZZYOMCO-IAGOWNOFSA-N 2 0 338.496 1.080 20 0 EDADRP C[C@H]([NH3+])CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000340177691 142292923 /nfs/dbraw/zinc/29/29/23/142292923.db2.gz UAPKSXVHKJHUCS-KRWDZBQOSA-N 2 0 332.492 1.438 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340213604 142305688 /nfs/dbraw/zinc/30/56/88/142305688.db2.gz JEOPMELABFMERI-MRXNPFEDSA-N 2 0 340.512 1.025 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000343278659 142823056 /nfs/dbraw/zinc/82/30/56/142823056.db2.gz HQSBXUGWNSYEGB-MJGOQNOKSA-N 2 0 347.507 1.211 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000345209066 143064675 /nfs/dbraw/zinc/06/46/75/143064675.db2.gz KKWVOZCMTYZLND-WMZOPIPTSA-N 2 0 345.487 1.327 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)C(C)C ZINC000345356955 143081921 /nfs/dbraw/zinc/08/19/21/143081921.db2.gz TYPCGNGMCBIMMU-MRXNPFEDSA-N 2 0 342.528 1.451 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC[N@@H+]1C ZINC000345434661 143090748 /nfs/dbraw/zinc/09/07/48/143090748.db2.gz WXAXYXJVRRZUCN-NXHRZFHOSA-N 2 0 332.492 1.941 20 0 EDADRP C[C@H](CCNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000345647801 143116325 /nfs/dbraw/zinc/11/63/25/143116325.db2.gz YCJJDKFVAATBNG-NVXWUHKLSA-N 2 0 342.553 1.987 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCOC)CC2)C[C@@H]1C ZINC000345739107 143127416 /nfs/dbraw/zinc/12/74/16/143127416.db2.gz NIAMJLQABPVHOW-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000345800686 143135016 /nfs/dbraw/zinc/13/50/16/143135016.db2.gz YEBGQLYTVGKEEE-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@H]1C ZINC000345897461 143144562 /nfs/dbraw/zinc/14/45/62/143144562.db2.gz BNFBQFWOGWYLOB-CVEARBPZSA-N 2 0 345.491 1.388 20 0 EDADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000345986207 143154247 /nfs/dbraw/zinc/15/42/47/143154247.db2.gz BMMOVFRANQGLFJ-CPUCHLNUSA-N 2 0 345.443 1.011 20 0 EDADRP COC(C)(C)CC[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000346235573 143181880 /nfs/dbraw/zinc/18/18/80/143181880.db2.gz GJFJTSHDIHEBSM-QGZVFWFLSA-N 2 0 327.513 1.528 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)[NH+](C)C1 ZINC000346248456 143183297 /nfs/dbraw/zinc/18/32/97/143183297.db2.gz XCCOTWWMPYTOQV-MWDXBVQZSA-N 2 0 340.512 1.610 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)C2)C1 ZINC000346260772 143184488 /nfs/dbraw/zinc/18/44/88/143184488.db2.gz APTZWFUVYSSJAZ-IBGZPJMESA-N 2 0 343.475 1.001 20 0 EDADRP CC(C)[NH+](C)CC(=O)Nc1cc(CNC(=O)C[N@@H+](C)C(C)C)ccn1 ZINC000346637605 143224749 /nfs/dbraw/zinc/22/47/49/143224749.db2.gz OUQMSOWLQOBFIN-UHFFFAOYSA-N 2 0 349.479 1.317 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000347043725 143275534 /nfs/dbraw/zinc/27/55/34/143275534.db2.gz LTMXDLQRTOIRBI-CABCVRRESA-N 2 0 340.512 1.212 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347046894 143276035 /nfs/dbraw/zinc/27/60/35/143276035.db2.gz AFXSCEALLNBGPF-UHFFFAOYSA-N 2 0 328.501 1.254 20 0 EDADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147260 143287616 /nfs/dbraw/zinc/28/76/16/143287616.db2.gz MOIVXMUTRSTJEK-CVEARBPZSA-N 2 0 325.497 1.412 20 0 EDADRP COc1ccccc1/C=C/C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227839 143297514 /nfs/dbraw/zinc/29/75/14/143297514.db2.gz WMWXGDBPVCMEQN-WEBJUUICSA-N 2 0 343.471 1.852 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347546223 143333589 /nfs/dbraw/zinc/33/35/89/143333589.db2.gz DNHMJHIAGVTSOQ-AWEZNQCLSA-N 2 0 329.444 1.521 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000347718643 143353889 /nfs/dbraw/zinc/35/38/89/143353889.db2.gz GRZCFMDGGYMRHU-INIZCTEOSA-N 2 0 348.491 1.711 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C)C(C)C ZINC000347752188 143358101 /nfs/dbraw/zinc/35/81/01/143358101.db2.gz BURRHQDBGXJLJM-HZPDHXFCSA-N 2 0 340.512 1.163 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000369682629 155133929 /nfs/dbraw/zinc/13/39/29/155133929.db2.gz FZZWMEKFPWLGAI-ATZDWAIDSA-N 2 0 349.519 1.866 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000572941199 306604329 /nfs/dbraw/zinc/60/43/29/306604329.db2.gz UVWWHQWPEJZQKM-CZUORRHYSA-N 2 0 330.432 1.342 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000416821929 304350204 /nfs/dbraw/zinc/35/02/04/304350204.db2.gz WETZNIJSNMSQQR-INIZCTEOSA-N 2 0 349.479 1.011 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000417669634 286060883 /nfs/dbraw/zinc/06/08/83/286060883.db2.gz MIZVSRGOYKMADO-ULQDDVLXSA-N 2 0 342.528 1.796 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416855531 304352088 /nfs/dbraw/zinc/35/20/88/304352088.db2.gz QFSNIABDSZYMDQ-QGZVFWFLSA-N 2 0 334.464 1.741 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C[NH3+])C1 ZINC000416855841 304352019 /nfs/dbraw/zinc/35/20/19/304352019.db2.gz YQMBVVOBMHJTKV-JKSUJKDBSA-N 2 0 340.512 1.789 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000353104538 149288090 /nfs/dbraw/zinc/28/80/90/149288090.db2.gz CXEVGNITJQVOBC-MRXNPFEDSA-N 2 0 340.512 1.253 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353106539 149288689 /nfs/dbraw/zinc/28/86/89/149288689.db2.gz CJNXHMUZSAHGJX-LVYZTWJOSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000416963688 304355940 /nfs/dbraw/zinc/35/59/40/304355940.db2.gz BLOUKFRRORGDHB-NVXWUHKLSA-N 2 0 348.491 1.753 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000416963690 304356100 /nfs/dbraw/zinc/35/61/00/304356100.db2.gz BLOUKFRRORGDHB-WBVHZDCISA-N 2 0 348.491 1.753 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)[NH+]1CCOCC1 ZINC000416961522 304355716 /nfs/dbraw/zinc/35/57/16/304355716.db2.gz SIGSPVTXCYMVOJ-IAGOWNOFSA-N 2 0 342.528 1.796 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000416966398 304356650 /nfs/dbraw/zinc/35/66/50/304356650.db2.gz YFPJMHMXQGTLGM-HOTGVXAUSA-N 2 0 326.485 1.256 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)[NH+]1CCOCC1 ZINC000416965799 304356825 /nfs/dbraw/zinc/35/68/25/304356825.db2.gz XTSFJIVXGVACOH-PVAVHDDUSA-N 2 0 340.512 1.563 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000416968486 304357083 /nfs/dbraw/zinc/35/70/83/304357083.db2.gz JDPWJZWYEHOBRW-WMZOPIPTSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000416971654 304357862 /nfs/dbraw/zinc/35/78/62/304357862.db2.gz QJNIDTSURRTAMJ-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416973499 304358482 /nfs/dbraw/zinc/35/84/82/304358482.db2.gz VDOURWAXIOOLRE-GDBMZVCRSA-N 2 0 334.464 1.506 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416975665 304359144 /nfs/dbraw/zinc/35/91/44/304359144.db2.gz ZINHOLLJPWHVII-RKVPGOIHSA-N 2 0 348.491 1.832 20 0 EDADRP Cc1c(C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000573609630 306626587 /nfs/dbraw/zinc/62/65/87/306626587.db2.gz IJFZREWAXSATCG-GDBMZVCRSA-N 2 0 346.479 1.115 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416982275 304361241 /nfs/dbraw/zinc/36/12/41/304361241.db2.gz VZXYYKALVOWINT-MAUKXSAKSA-N 2 0 345.491 1.957 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346848 150227003 /nfs/dbraw/zinc/22/70/03/150227003.db2.gz UIRFGLCLUTWXCV-IRXDYDNUSA-N 2 0 339.524 1.970 20 0 EDADRP CC1CC[NH+](CCNC(=O)N(CC[NH3+])CCc2ccccc2)CC1 ZINC000417027436 304362087 /nfs/dbraw/zinc/36/20/87/304362087.db2.gz ZTCSYSUCYMYIAV-UHFFFAOYSA-N 2 0 332.492 1.931 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000417029391 304362393 /nfs/dbraw/zinc/36/23/93/304362393.db2.gz VPCLWXHRGBMXRJ-GOSISDBHSA-N 2 0 345.491 1.235 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000355482547 150287396 /nfs/dbraw/zinc/28/73/96/150287396.db2.gz PLOOZHABMPMRBI-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000357372899 151010697 /nfs/dbraw/zinc/01/06/97/151010697.db2.gz KHUFHVLLTHWTMM-LBPRGKRZSA-N 2 0 325.403 1.711 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc2c[nH]nc2c1 ZINC000357374577 151011604 /nfs/dbraw/zinc/01/16/04/151011604.db2.gz GXLBAGUXZXWWHE-UHFFFAOYSA-N 2 0 345.491 1.837 20 0 EDADRP CSC1(CNc2cc(N3CCOCC3)ncn2)CC[NH+](C)CC1 ZINC000357551102 151064997 /nfs/dbraw/zinc/06/49/97/151064997.db2.gz SAXVEHNTVBTHAW-UHFFFAOYSA-N 2 0 337.493 1.553 20 0 EDADRP CSC1(CNC(=O)NCC2([NH+](C)C)CCCC2)CC[NH+](C)CC1 ZINC000357970636 151215791 /nfs/dbraw/zinc/21/57/91/151215791.db2.gz GDYBAOZCMPINPC-UHFFFAOYSA-N 2 0 342.553 1.987 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000358092028 151266763 /nfs/dbraw/zinc/26/67/63/151266763.db2.gz JHWCETBLAVSQJD-OAHLLOKOSA-N 2 0 338.496 1.437 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000358188151 151298817 /nfs/dbraw/zinc/29/88/17/151298817.db2.gz RRYXRRXJMQLOJE-UHFFFAOYSA-N 2 0 333.480 1.892 20 0 EDADRP CC(C)(CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417090784 304371636 /nfs/dbraw/zinc/37/16/36/304371636.db2.gz YOUSZPPAPLSKNI-HDICACEKSA-N 2 0 342.487 1.684 20 0 EDADRP COCC1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000262078394 292243969 /nfs/dbraw/zinc/24/39/69/292243969.db2.gz SVWOMIDBYQWSOM-MRXNPFEDSA-N 2 0 325.497 1.629 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000417138647 304376677 /nfs/dbraw/zinc/37/66/77/304376677.db2.gz OSTDVNPEGAQWMW-SJORKVTESA-N 2 0 331.464 1.487 20 0 EDADRP O=C(N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(N2CCOCC2)CCC1 ZINC000360551027 152091277 /nfs/dbraw/zinc/09/12/77/152091277.db2.gz RFBYTBBWNKIXRR-WMZOPIPTSA-N 2 0 347.503 1.717 20 0 EDADRP CSC1(CNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000360698177 152158713 /nfs/dbraw/zinc/15/87/13/152158713.db2.gz VMINDQALQBMFPQ-AWEZNQCLSA-N 2 0 328.526 1.407 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000361080080 152296911 /nfs/dbraw/zinc/29/69/11/152296911.db2.gz MYHAZIVBQASBSX-NSHDSACASA-N 2 0 327.388 1.221 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417151443 304378353 /nfs/dbraw/zinc/37/83/53/304378353.db2.gz GQASNPOMZLFBRO-WMZOPIPTSA-N 2 0 345.491 1.863 20 0 EDADRP COc1ccc(C[C@H](C)C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc1F ZINC000352699596 286314833 /nfs/dbraw/zinc/31/48/33/286314833.db2.gz BDGFZDKGTQSYKU-DOTOQJQBSA-N 2 0 335.467 1.992 20 0 EDADRP C(CC1CC[NH+](CCN2CCCOCC2)CC1)C[NH+]1CCOCC1 ZINC000361348267 152367773 /nfs/dbraw/zinc/36/77/73/152367773.db2.gz IZZGEIOJJQMYDV-UHFFFAOYSA-N 2 0 339.524 1.533 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417159778 304379201 /nfs/dbraw/zinc/37/92/01/304379201.db2.gz XOGMJVQHAOSNHA-INIZCTEOSA-N 2 0 333.480 1.235 20 0 EDADRP C[NH2+]CC1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000417176113 304380767 /nfs/dbraw/zinc/38/07/67/304380767.db2.gz BVJCIUOELPMZOT-SFHVURJKSA-N 2 0 332.492 1.800 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)N2CCOCC2)cc1 ZINC000417175148 304380352 /nfs/dbraw/zinc/38/03/52/304380352.db2.gz JJEBCJSGQFRVQR-FUHWJXTLSA-N 2 0 346.475 1.359 20 0 EDADRP CCOC(=O)[C@H](CC(C)C)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000363723684 153039328 /nfs/dbraw/zinc/03/93/28/153039328.db2.gz WXRARUGPYAWGLW-IRXDYDNUSA-N 2 0 325.497 1.676 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1)C(=O)NCC[NH+](C)C1CC1 ZINC000364145162 153154886 /nfs/dbraw/zinc/15/48/86/153154886.db2.gz QTBJBYAHBQJRRI-WMZOPIPTSA-N 2 0 345.491 1.810 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC([NH3+])CC2)cc1 ZINC000333501175 286362840 /nfs/dbraw/zinc/36/28/40/286362840.db2.gz FLVZEACAKXIGPB-IRXDYDNUSA-N 2 0 332.448 1.273 20 0 EDADRP COCCCN(C)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364998521 153394424 /nfs/dbraw/zinc/39/44/24/153394424.db2.gz SUJWVRWXNSLIFM-OAHLLOKOSA-N 2 0 326.485 1.175 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1NC(C)=O ZINC000268990034 286369391 /nfs/dbraw/zinc/36/93/91/286369391.db2.gz MFITUXFDDZXWOK-ZDUSSCGKSA-N 2 0 335.448 1.761 20 0 EDADRP COC[C@]1(CNC(=O)NCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417233095 304386703 /nfs/dbraw/zinc/38/67/03/304386703.db2.gz RKGUEUMIWGMOAW-GOSISDBHSA-N 2 0 334.464 1.186 20 0 EDADRP CCn1nccc1CC[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000367125579 154015941 /nfs/dbraw/zinc/01/59/41/154015941.db2.gz GNOAYDNAHQUFEJ-UHFFFAOYSA-N 2 0 333.524 1.795 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)[C@H]([NH3+])C3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000367188179 154034652 /nfs/dbraw/zinc/03/46/52/154034652.db2.gz UHENNZOWOZJBLG-HCXYKTFWSA-N 2 0 343.471 1.502 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000368005234 154364730 /nfs/dbraw/zinc/36/47/30/154364730.db2.gz HTEISCXPECDAAV-BNEJOLLZSA-N 2 0 331.460 1.645 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)cc1 ZINC000417352606 304394056 /nfs/dbraw/zinc/39/40/56/304394056.db2.gz GNBJTEOJXLBKKA-OTWHNJEPSA-N 2 0 342.487 1.993 20 0 EDADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000369424446 155026250 /nfs/dbraw/zinc/02/62/50/155026250.db2.gz ITEQOCRPOOWIEF-MSOLQXFVSA-N 2 0 330.476 1.998 20 0 EDADRP O=C(NCC1CC[NH+](Cc2cccs2)CC1)N1CCC[NH2+]CC1 ZINC000417381272 304395834 /nfs/dbraw/zinc/39/58/34/304395834.db2.gz MCKJBMGEMBQABA-UHFFFAOYSA-N 2 0 336.505 1.965 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@H]3C2)C[C@H](C)O1 ZINC000369582299 155097657 /nfs/dbraw/zinc/09/76/57/155097657.db2.gz AJJUNGHXWGRJDQ-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417481417 304399207 /nfs/dbraw/zinc/39/92/07/304399207.db2.gz NXGSOIISWHYEDQ-HNNXBMFYSA-N 2 0 334.464 1.520 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000371818528 156121411 /nfs/dbraw/zinc/12/14/11/156121411.db2.gz IBAQSTKRYYZLLY-QGZVFWFLSA-N 2 0 330.476 1.752 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)[C@@H](C)C1 ZINC000372056516 156227727 /nfs/dbraw/zinc/22/77/27/156227727.db2.gz QNNYYEPVZNTEPC-ZGRYLRDCSA-N 2 0 343.537 1.653 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H](C)CC[NH3+])CCCC2)CC1 ZINC000417546933 304404528 /nfs/dbraw/zinc/40/45/28/304404528.db2.gz NOYZNJNFALJVJR-AWEZNQCLSA-N 2 0 326.485 1.447 20 0 EDADRP CN(C(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)C1CC[NH+](C2CCOCC2)CC1 ZINC000373860616 157036864 /nfs/dbraw/zinc/03/68/64/157036864.db2.gz UITHRVWSNQULBA-DNVCBOLYSA-N 2 0 335.492 1.478 20 0 EDADRP CCC[C@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)[NH+](C)C ZINC000374258352 157218409 /nfs/dbraw/zinc/21/84/09/157218409.db2.gz VGGADLSYKOMJTA-QGZVFWFLSA-N 2 0 335.496 1.536 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCc1cn2c(n1)CCCC2 ZINC000377946682 158036704 /nfs/dbraw/zinc/03/67/04/158036704.db2.gz KEEJAHBCONYULH-MRXNPFEDSA-N 2 0 333.480 1.888 20 0 EDADRP COCC[N@H+](C)CCC[NH2+]C1CCN(c2nnc(C)s2)CC1 ZINC000378634886 158223585 /nfs/dbraw/zinc/22/35/85/158223585.db2.gz SFNYVGAGKBLKFO-UHFFFAOYSA-N 2 0 327.498 1.373 20 0 EDADRP Cc1nc(CN2CCC(C[NH2+]CN3CCC(=O)CC3)CC2)oc1C ZINC000378638408 158223826 /nfs/dbraw/zinc/22/38/26/158223826.db2.gz PCVSDYWDZDTMMG-UHFFFAOYSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000352155602 162017237 /nfs/dbraw/zinc/01/72/37/162017237.db2.gz VMKLDKSLNHJVQH-PBHICJAKSA-N 2 0 342.553 1.795 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C1 ZINC000351793074 287089733 /nfs/dbraw/zinc/08/97/33/287089733.db2.gz MSAUPMUPYNICLY-LSDHHAIUSA-N 2 0 340.512 1.346 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000418186394 304461945 /nfs/dbraw/zinc/46/19/45/304461945.db2.gz RUWVMNQLEWFWLB-FUHWJXTLSA-N 2 0 347.507 1.191 20 0 EDADRP CSc1ccc([C@@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000418237612 304468327 /nfs/dbraw/zinc/46/83/27/304468327.db2.gz VYGUNSKRYHVTOH-CZUORRHYSA-N 2 0 336.505 1.920 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000073811105 287265021 /nfs/dbraw/zinc/26/50/21/287265021.db2.gz WWGPRDPKTAFEPA-AEFFLSMTSA-N 2 0 342.528 1.764 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000074065308 287267460 /nfs/dbraw/zinc/26/74/60/287267460.db2.gz LBLSAAFROLZKNF-IAGOWNOFSA-N 2 0 341.544 1.290 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075677750 287278284 /nfs/dbraw/zinc/27/82/84/287278284.db2.gz QADOANKIOOVGOP-OALUTQOASA-N 2 0 338.540 1.199 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000168878016 226225136 /nfs/dbraw/zinc/22/51/36/226225136.db2.gz BVLOLIMFQIYVEQ-OAHLLOKOSA-N 2 0 325.522 1.854 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000418375787 304487731 /nfs/dbraw/zinc/48/77/31/304487731.db2.gz UDIXYYRWXDLLFO-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@]1(C)CCCC[C@@H]1O ZINC000665759517 452327141 /nfs/dbraw/zinc/32/71/41/452327141.db2.gz JERWNPBKKYZBIU-BQFCYCMXSA-N 2 0 342.528 1.499 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000418462229 304498038 /nfs/dbraw/zinc/49/80/38/304498038.db2.gz JUBGKBDSSHIEMB-QGZVFWFLSA-N 2 0 339.528 1.173 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652203516 452400451 /nfs/dbraw/zinc/40/04/51/452400451.db2.gz OQUQVGRAXUAMOU-HRCADAONSA-N 2 0 326.485 1.302 20 0 EDADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)Cc1ccc(OC)cc1 ZINC000262021082 273017521 /nfs/dbraw/zinc/01/75/21/273017521.db2.gz GDGDWYXJOPZGQP-INIZCTEOSA-N 2 0 333.476 1.770 20 0 EDADRP COCC1CC[NH+](CCOCC[NH+]2CCC(COC)CC2)CC1 ZINC000178700904 267581554 /nfs/dbraw/zinc/58/15/54/267581554.db2.gz FQTXGZDAAALGPU-UHFFFAOYSA-N 2 0 328.497 1.720 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236996178 267923235 /nfs/dbraw/zinc/92/32/35/267923235.db2.gz FZEBJMWTTASYDJ-MRXNPFEDSA-N 2 0 330.476 1.558 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000657832184 452555816 /nfs/dbraw/zinc/55/58/16/452555816.db2.gz JGHJNJDAZKFRJO-KRWDZBQOSA-N 2 0 327.513 1.434 20 0 EDADRP CC[C@@H](C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[NH+](CC)CC ZINC000274028130 268099253 /nfs/dbraw/zinc/09/92/53/268099253.db2.gz CAPLBONVXKJJRZ-INIZCTEOSA-N 2 0 334.464 1.906 20 0 EDADRP OC[C@H]([NH2+]CCOCC[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000273046092 273025744 /nfs/dbraw/zinc/02/57/44/273025744.db2.gz DPYYLRRMCYMEAW-PMACEKPBSA-N 2 0 344.455 1.649 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000274639759 268174215 /nfs/dbraw/zinc/17/42/15/268174215.db2.gz TWQRCEWTTLPZMD-FQEVSTJZSA-N 2 0 344.503 1.582 20 0 EDADRP C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865515 268226329 /nfs/dbraw/zinc/22/63/29/268226329.db2.gz DSWJTIIUNIWYCU-SJLPKXTDSA-N 2 0 345.487 1.769 20 0 EDADRP Cn1ccnc1CN(C(=O)C(F)(F)C(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000275750552 268372050 /nfs/dbraw/zinc/37/20/50/268372050.db2.gz QSLMUKNWMGXGMG-JTQLQIEISA-N 2 0 348.344 1.791 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000275932553 268384687 /nfs/dbraw/zinc/38/46/87/268384687.db2.gz KRDYYNJSFGURLA-ROUUACIJSA-N 2 0 330.476 1.989 20 0 EDADRP Cc1cccc2[nH]cc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c21 ZINC000103535142 272919144 /nfs/dbraw/zinc/91/91/44/272919144.db2.gz GJCYIXDRJRGXHS-UHFFFAOYSA-N 2 0 330.476 1.971 20 0 EDADRP C[C@@H](O)c1ncc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000283065950 273769146 /nfs/dbraw/zinc/76/91/46/273769146.db2.gz MZQRXLBWCYRTDV-CYBMUJFWSA-N 2 0 342.509 1.542 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237191088 273962937 /nfs/dbraw/zinc/96/29/37/273962937.db2.gz OESSTKUWWFLVIA-QGZVFWFLSA-N 2 0 332.492 1.561 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284318719 274159150 /nfs/dbraw/zinc/15/91/50/274159150.db2.gz KQIYBJQAOSTZIU-UHFFFAOYSA-N 2 0 329.448 1.432 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)CC1 ZINC000246071301 287725744 /nfs/dbraw/zinc/72/57/44/287725744.db2.gz SRTUJDSZMYMRGZ-BRWVUGGUSA-N 2 0 345.553 1.205 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)(N2CCOCC2)C1 ZINC000248885349 276310002 /nfs/dbraw/zinc/31/00/02/276310002.db2.gz LZKSNUUQOAGRRI-KNXWPPODSA-N 2 0 325.497 1.329 20 0 EDADRP CC[N@H+](CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864366 276310577 /nfs/dbraw/zinc/31/05/77/276310577.db2.gz FNDGWUFBJCRWQE-HNAYVOBHSA-N 2 0 347.507 1.746 20 0 EDADRP CC[C@H](C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1)[NH+](C)C ZINC000372064621 276543081 /nfs/dbraw/zinc/54/30/81/276543081.db2.gz GTRIEKNMUPOEAY-GOSISDBHSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C)(CO)CC1)c1ccccc1 ZINC000163146219 276853103 /nfs/dbraw/zinc/85/31/03/276853103.db2.gz FADBDDNMNMZTEN-QGZVFWFLSA-N 2 0 333.476 1.500 20 0 EDADRP COC(=O)CNC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000363532383 277062159 /nfs/dbraw/zinc/06/21/59/277062159.db2.gz JFOXNWWHORVVJF-CVEARBPZSA-N 2 0 339.480 1.252 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCCN(S(C)(=O)=O)C3)CC[C@H]21 ZINC000247961298 277069063 /nfs/dbraw/zinc/06/90/63/277069063.db2.gz GGFYLQHTTOFBOP-BZUAXINKSA-N 2 0 329.510 1.074 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@@H]1C ZINC000373395218 277326439 /nfs/dbraw/zinc/32/64/39/277326439.db2.gz PYYGLXADNMVYAZ-HPFXQQBRSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000359541775 277397311 /nfs/dbraw/zinc/39/73/11/277397311.db2.gz LDIPJQRYRTXBFS-INIZCTEOSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174319289 277758743 /nfs/dbraw/zinc/75/87/43/277758743.db2.gz JRQOUDRVOKJHLE-FUHWJXTLSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342147719 278049822 /nfs/dbraw/zinc/04/98/22/278049822.db2.gz ZDLBQQPJIWXBDS-LLLHUVSDSA-N 2 0 331.460 1.759 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423044351 278217800 /nfs/dbraw/zinc/21/78/00/278217800.db2.gz AHQBAPYUUIJODH-NWDGAFQWSA-N 2 0 329.441 1.581 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365258259 279098274 /nfs/dbraw/zinc/09/82/74/279098274.db2.gz NEHZHKLZFJKDGS-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000349914571 279109583 /nfs/dbraw/zinc/10/95/83/279109583.db2.gz TVMHSEVHKJLVSO-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000417882730 288117134 /nfs/dbraw/zinc/11/71/34/288117134.db2.gz VJMYCTIJXGUYFG-XOKHGSTOSA-N 2 0 334.508 1.889 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339076618 279314564 /nfs/dbraw/zinc/31/45/64/279314564.db2.gz VMUAIVLHSXYGEG-CEXWTWQISA-N 2 0 343.519 1.809 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCNC1=O ZINC000070870120 279492574 /nfs/dbraw/zinc/49/25/74/279492574.db2.gz BOHWVQAEDYERNJ-HNNXBMFYSA-N 2 0 344.459 1.702 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000287255381 288193322 /nfs/dbraw/zinc/19/33/22/288193322.db2.gz CVGFTNZPXHBINW-HNNXBMFYSA-N 2 0 336.480 1.419 20 0 EDADRP CC[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353549537 280931652 /nfs/dbraw/zinc/93/16/52/280931652.db2.gz FKYOKTQSBWWWPS-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCOCC1 ZINC000177723365 282042142 /nfs/dbraw/zinc/04/21/42/282042142.db2.gz QWCPBMOPLOPTBN-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP COCCOCc1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000289644375 288750747 /nfs/dbraw/zinc/75/07/47/288750747.db2.gz HEKYRDHJXXQOMR-UHFFFAOYSA-N 2 0 335.492 1.577 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000347320811 288983797 /nfs/dbraw/zinc/98/37/97/288983797.db2.gz TXGRINCFMVQXAM-QAPCUYQASA-N 2 0 334.508 1.288 20 0 EDADRP C[NH+](C)C1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497276523 289065929 /nfs/dbraw/zinc/06/59/29/289065929.db2.gz GFVACFYDUNMPRC-MQBCKMQZSA-N 2 0 329.485 1.725 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCC[C@](CO)(Cc2ccccc2)C1)C1CC1 ZINC000291732991 289164821 /nfs/dbraw/zinc/16/48/21/289164821.db2.gz JRDGQKPGZIQKRY-UXHICEINSA-N 2 0 332.488 1.759 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292262837 289300650 /nfs/dbraw/zinc/30/06/50/289300650.db2.gz YUEWUZRLAYOXBV-IEBWSBKVSA-N 2 0 347.459 1.412 20 0 EDADRP CCC[C@@H](C(=O)N1CCCN(C2CC[NH+](CC)CC2)CC1)[NH+](C)C ZINC000422008605 447305761 /nfs/dbraw/zinc/30/57/61/447305761.db2.gz AETSVZLAJBVYRJ-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000262885586 290032845 /nfs/dbraw/zinc/03/28/45/290032845.db2.gz WJJVEXXCUFGVRU-MRXNPFEDSA-N 2 0 345.491 1.898 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000348586146 290165940 /nfs/dbraw/zinc/16/59/40/290165940.db2.gz DTFVBXYTKCBVMS-KSZLIROESA-N 2 0 335.492 1.715 20 0 EDADRP CSC1(C[NH2+][C@H](Cc2ccc(F)cc2)C(N)=O)CC[NH+](C)CC1 ZINC000357299969 295583367 /nfs/dbraw/zinc/58/33/67/295583367.db2.gz PKZKOJMILYTRPB-OAHLLOKOSA-N 2 0 339.480 1.639 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH2+]C)C1)c1ccccc1 ZINC000418840955 304539543 /nfs/dbraw/zinc/53/95/43/304539543.db2.gz FTFWTYXEZGKCII-IAGOWNOFSA-N 2 0 346.475 1.006 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000262854424 304577724 /nfs/dbraw/zinc/57/77/24/304577724.db2.gz SQYLQTBAFDRIDB-CVEARBPZSA-N 2 0 331.464 1.508 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccsc1 ZINC000419373153 304600231 /nfs/dbraw/zinc/60/02/31/304600231.db2.gz NQDHKMHAHANOCQ-CYBMUJFWSA-N 2 0 340.493 1.101 20 0 EDADRP CCC[C@@H](O)[C@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000419823587 304690838 /nfs/dbraw/zinc/69/08/38/304690838.db2.gz OURYXQYQKYHHGQ-PKOBYXMFSA-N 2 0 335.492 1.440 20 0 EDADRP CN1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420319386 304751445 /nfs/dbraw/zinc/75/14/45/304751445.db2.gz PEXTWZUKVRFCRR-SFHVURJKSA-N 2 0 336.524 1.252 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccsn1 ZINC000294657268 303133201 /nfs/dbraw/zinc/13/32/01/303133201.db2.gz VDVASGLWXNRUCR-UHFFFAOYSA-N 2 0 331.445 1.480 20 0 EDADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCN(CCCO)C1 ZINC000295109302 303174364 /nfs/dbraw/zinc/17/43/64/303174364.db2.gz LLSVNZQYQCIQSP-HOTGVXAUSA-N 2 0 349.475 1.849 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000419658739 447327253 /nfs/dbraw/zinc/32/72/53/447327253.db2.gz YTZSXSUDNGLEAS-CABCVRRESA-N 2 0 348.491 1.204 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414858129 447330476 /nfs/dbraw/zinc/33/04/76/447330476.db2.gz QXZPQGWOYAPZFU-BBRMVZONSA-N 2 0 336.480 1.929 20 0 EDADRP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000298574206 303535035 /nfs/dbraw/zinc/53/50/35/303535035.db2.gz XHQQWXHGFUMXBX-LJQANCHMSA-N 2 0 332.492 1.997 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000377743303 447331713 /nfs/dbraw/zinc/33/17/13/447331713.db2.gz IUDGVRSILINNQQ-RBUKOAKNSA-N 2 0 345.487 1.879 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000458382307 447338296 /nfs/dbraw/zinc/33/82/96/447338296.db2.gz RAYSWDJFVIMDMQ-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC000421754448 304812163 /nfs/dbraw/zinc/81/21/63/304812163.db2.gz BNFLMOAPDISLAV-MRXNPFEDSA-N 2 0 338.402 1.755 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000414892147 447346198 /nfs/dbraw/zinc/34/61/98/447346198.db2.gz WOCODWBFMGXMRU-ZDUSSCGKSA-N 2 0 330.379 1.731 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970423 304881832 /nfs/dbraw/zinc/88/18/32/304881832.db2.gz WOAFYIYDLOFXKC-OPQOLIRYSA-N 2 0 337.508 1.913 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[NH+](C2CCCCC2)CC1 ZINC000423716334 304905393 /nfs/dbraw/zinc/90/53/93/304905393.db2.gz WUNJWRYJODILIN-OAHLLOKOSA-N 2 0 345.491 1.967 20 0 EDADRP CCC1(CC)[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1OC ZINC000429288529 305027739 /nfs/dbraw/zinc/02/77/39/305027739.db2.gz WLQHXAVOVQJCJH-IRXDYDNUSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430587732 305057378 /nfs/dbraw/zinc/05/73/78/305057378.db2.gz ADTYZJSYWNKGFN-INIZCTEOSA-N 2 0 333.476 1.564 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)C1CC[NH2+]CC1 ZINC000430612314 305058894 /nfs/dbraw/zinc/05/88/94/305058894.db2.gz RSMJHWSJTWJMCW-UHFFFAOYSA-N 2 0 338.839 1.451 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000430615821 305059223 /nfs/dbraw/zinc/05/92/23/305059223.db2.gz DGOMCCUZCQMHQO-OAHLLOKOSA-N 2 0 343.431 1.066 20 0 EDADRP CS(=O)(=O)c1ccc(OCCC[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430628827 305060111 /nfs/dbraw/zinc/06/01/11/305060111.db2.gz VNVKIGBEBWNHMS-UHFFFAOYSA-N 2 0 326.462 1.530 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[NH+]1CCC(C[NH3+])CC1 ZINC000430633554 305060349 /nfs/dbraw/zinc/06/03/49/305060349.db2.gz CAHNOPKTHHNEIH-ZFWWWQNUSA-N 2 0 333.432 1.002 20 0 EDADRP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430650297 305061274 /nfs/dbraw/zinc/06/12/74/305061274.db2.gz URLRONWOZNYXJG-HOTGVXAUSA-N 2 0 346.475 1.417 20 0 EDADRP COCC[C@@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842586 305065712 /nfs/dbraw/zinc/06/57/12/305065712.db2.gz USUXCHLLTZCIGO-HKUYNNGSSA-N 2 0 331.460 1.393 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000430850292 305066088 /nfs/dbraw/zinc/06/60/88/305066088.db2.gz KADRZUUZAHPMDO-IKGGRYGDSA-N 2 0 325.497 1.757 20 0 EDADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000430950761 305070432 /nfs/dbraw/zinc/07/04/32/305070432.db2.gz SESHXVONEYGKJA-NSHDSACASA-N 2 0 338.839 1.309 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cn3c(n2)CCCC3)CC1 ZINC000433126636 305101214 /nfs/dbraw/zinc/10/12/14/305101214.db2.gz DGQJSGOVPXWKLX-UHFFFAOYSA-N 2 0 333.480 1.081 20 0 EDADRP CN(C)C(=O)c1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433130265 305101310 /nfs/dbraw/zinc/10/13/10/305101310.db2.gz HHJUPJOOAFBVJY-UHFFFAOYSA-N 2 0 346.475 1.208 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000433160665 305102098 /nfs/dbraw/zinc/10/20/98/305102098.db2.gz HTCNNNRXJQAFKV-UHFFFAOYSA-N 2 0 347.463 1.060 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCO[C@H]2C)CC1 ZINC000433204146 305102858 /nfs/dbraw/zinc/10/28/58/305102858.db2.gz FDECNRNQMDSSPH-FXAWDEMLSA-N 2 0 347.503 1.848 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433287125 305104870 /nfs/dbraw/zinc/10/48/70/305104870.db2.gz KWTGDDOZQINOAY-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP O=C(C[C@H]1CN(Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235358 305137526 /nfs/dbraw/zinc/13/75/26/305137526.db2.gz DJGOIROOCQPGBU-MOPGFXCFSA-N 2 0 343.471 1.630 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C[C@H]12 ZINC000435385759 305139443 /nfs/dbraw/zinc/13/94/43/305139443.db2.gz UAHJQTQBGJSPMJ-RYQLBKOJSA-N 2 0 343.471 1.857 20 0 EDADRP Cn1ccnc1CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435565348 305142629 /nfs/dbraw/zinc/14/26/29/305142629.db2.gz GNYUSFCBURRWMM-MRXNPFEDSA-N 2 0 345.491 1.233 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000438828014 305189549 /nfs/dbraw/zinc/18/95/49/305189549.db2.gz FEWHOVUAGXFDAV-GOSISDBHSA-N 2 0 343.475 1.803 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000439214165 305195460 /nfs/dbraw/zinc/19/54/60/305195460.db2.gz NEXJVTUGBOMFGM-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000442877393 305230374 /nfs/dbraw/zinc/23/03/74/305230374.db2.gz UAOHFWYBNTYEHA-BXUZGUMPSA-N 2 0 347.431 1.173 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000444377671 305247682 /nfs/dbraw/zinc/24/76/82/305247682.db2.gz XKFDGHQFLQSDCT-OAHLLOKOSA-N 2 0 333.476 1.665 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446619503 305268093 /nfs/dbraw/zinc/26/80/93/305268093.db2.gz GODRGUJDJMZLCY-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC000446619733 305268132 /nfs/dbraw/zinc/26/81/32/305268132.db2.gz IWQDSGAMUNGYDG-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000447719971 305284472 /nfs/dbraw/zinc/28/44/72/305284472.db2.gz AHIGIESYGYISFR-SFHVURJKSA-N 2 0 337.508 1.770 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000448212354 305293943 /nfs/dbraw/zinc/29/39/43/305293943.db2.gz HTEYGDFXFOLBFC-RKVPGOIHSA-N 2 0 332.492 1.881 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000448214898 305293952 /nfs/dbraw/zinc/29/39/52/305293952.db2.gz SJOQDGMZIRPZSE-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000449119873 305307168 /nfs/dbraw/zinc/30/71/68/305307168.db2.gz AOZREYOODTZCOS-SJORKVTESA-N 2 0 338.540 1.639 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449116958 305307249 /nfs/dbraw/zinc/30/72/49/305307249.db2.gz RYKZFKZNJPBNCP-OWCLPIDISA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@@H]2O)CC1 ZINC000451410119 305344406 /nfs/dbraw/zinc/34/44/06/305344406.db2.gz BKSZIPHUPFVJDP-KSZLIROESA-N 2 0 337.508 1.601 20 0 EDADRP O=C(C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000451609661 305356172 /nfs/dbraw/zinc/35/61/72/305356172.db2.gz NWJVXTBFUDTIMK-PKOBYXMFSA-N 2 0 335.492 1.116 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC2CCCCCC2)CC1 ZINC000451992640 305376871 /nfs/dbraw/zinc/37/68/71/305376871.db2.gz UHMULFNBTMMQBG-UHFFFAOYSA-N 2 0 338.540 1.831 20 0 EDADRP CC(C)c1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)n1 ZINC000471952739 305541771 /nfs/dbraw/zinc/54/17/71/305541771.db2.gz IBEMIDGOKVILAT-UHFFFAOYSA-N 2 0 337.512 1.889 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000487580531 305551349 /nfs/dbraw/zinc/55/13/49/305551349.db2.gz ZOYBGFDLGMQVKJ-UHFFFAOYSA-N 2 0 332.448 1.471 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000492882121 305606321 /nfs/dbraw/zinc/60/63/21/305606321.db2.gz SOMOYXVDOGBTMR-PLNGDYQASA-N 2 0 331.460 1.894 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000515223154 305717327 /nfs/dbraw/zinc/71/73/27/305717327.db2.gz IKSLDTRIMXSCIS-CABCVRRESA-N 2 0 347.463 1.310 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCCCC[NH2+]1 ZINC000520818627 305783437 /nfs/dbraw/zinc/78/34/37/305783437.db2.gz VQMZVQPXPSATQN-OAHLLOKOSA-N 2 0 325.522 1.996 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C(C)(C)C ZINC000458422233 447358425 /nfs/dbraw/zinc/35/84/25/447358425.db2.gz UBVXYQIGVHLXTJ-CVEARBPZSA-N 2 0 342.528 1.499 20 0 EDADRP COc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1O ZINC000524932047 305821130 /nfs/dbraw/zinc/82/11/30/305821130.db2.gz RSHMXDDDYWAIRM-UHFFFAOYSA-N 2 0 338.452 1.036 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000528675169 305883248 /nfs/dbraw/zinc/88/32/48/305883248.db2.gz NIFXWASFUFGWKW-SFHVURJKSA-N 2 0 346.475 1.825 20 0 EDADRP COc1ccc(-n2cc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)cn2)cc1 ZINC000449127802 447364565 /nfs/dbraw/zinc/36/45/65/447364565.db2.gz XSCIZIKOHHUGEQ-INIZCTEOSA-N 2 0 343.475 1.606 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)c1 ZINC000414940056 447365423 /nfs/dbraw/zinc/36/54/23/447365423.db2.gz GXAQITUEMVKHPL-XJKSGUPXSA-N 2 0 332.448 1.143 20 0 EDADRP CCOc1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000530641390 305944381 /nfs/dbraw/zinc/94/43/81/305944381.db2.gz HGRDHNWMQXHCES-UHFFFAOYSA-N 2 0 337.464 1.659 20 0 EDADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589391 306023295 /nfs/dbraw/zinc/02/32/95/306023295.db2.gz BCZPUSNYXYQKMA-QGZVFWFLSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896826 306049370 /nfs/dbraw/zinc/04/93/70/306049370.db2.gz HWANZTRJWSHBIW-OXQOHEQNSA-N 2 0 343.471 1.390 20 0 EDADRP COCC(=O)N1CCC([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000544173382 306073128 /nfs/dbraw/zinc/07/31/28/306073128.db2.gz MBXOWKUGXYHUMB-UHFFFAOYSA-N 2 0 343.431 1.303 20 0 EDADRP Cn1c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2ccccc2c1=O ZINC000552005061 306173306 /nfs/dbraw/zinc/17/33/06/306173306.db2.gz PCCGBHXCQSCSBL-UHFFFAOYSA-N 2 0 344.459 1.104 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000557214053 306226538 /nfs/dbraw/zinc/22/65/38/306226538.db2.gz QLSRBKMKBGDDQX-UHFFFAOYSA-N 2 0 327.517 1.090 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000557211268 306226554 /nfs/dbraw/zinc/22/65/54/306226554.db2.gz OKAHNYDWVOEIIX-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC000557222367 306226771 /nfs/dbraw/zinc/22/67/71/306226771.db2.gz XRRZCOYNQRKEJS-SFHVURJKSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414946919 447369552 /nfs/dbraw/zinc/36/95/52/447369552.db2.gz UYWBDIUZWKOOQV-CJNGLKHVSA-N 2 0 344.459 1.476 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414951763 447370227 /nfs/dbraw/zinc/37/02/27/447370227.db2.gz QBTHOXZNQYVSPU-HOCLYGCPSA-N 2 0 330.432 1.217 20 0 EDADRP Cc1ncc(CN2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C(C)C)CC2)s1 ZINC000377818330 447371969 /nfs/dbraw/zinc/37/19/69/447371969.db2.gz ZFONZJGIWBVADW-JKSUJKDBSA-N 2 0 336.505 1.730 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000414958865 447373748 /nfs/dbraw/zinc/37/37/48/447373748.db2.gz DSLODEKOHGIVMM-QRTARXTBSA-N 2 0 344.459 1.588 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146292 447372460 /nfs/dbraw/zinc/37/24/60/447372460.db2.gz URGJHHPETRRKKW-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000414967605 447377025 /nfs/dbraw/zinc/37/70/25/447377025.db2.gz QFENJIXXDLHGKX-NVXWUHKLSA-N 2 0 344.459 1.287 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1O ZINC000426150181 447396211 /nfs/dbraw/zinc/39/62/11/447396211.db2.gz DKCSUSCRXGLGSR-GDBMZVCRSA-N 2 0 337.489 1.095 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000458527078 447400120 /nfs/dbraw/zinc/40/01/20/447400120.db2.gz SKNWXIXALOZWGQ-QLFBSQMISA-N 2 0 328.501 1.059 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](C)CC1)N1C[C@@H](C)O[C@H](C)C1 ZINC000101522267 441156798 /nfs/dbraw/zinc/15/67/98/441156798.db2.gz ALAPCCADHQNIDZ-INMHGKMJSA-N 2 0 325.497 1.578 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CCCC1 ZINC000047965962 441244423 /nfs/dbraw/zinc/24/44/23/441244423.db2.gz UUZKKUJJXSGCDG-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP O[C@H](CN1CCOCC1)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000061735363 441286415 /nfs/dbraw/zinc/28/64/15/441286415.db2.gz GTNPZGLYKOWLQL-IBGZPJMESA-N 2 0 339.524 1.268 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000073248875 441305017 /nfs/dbraw/zinc/30/50/17/441305017.db2.gz MTVJPYBSKQJWAH-ZDUSSCGKSA-N 2 0 344.419 1.052 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000107368573 441413354 /nfs/dbraw/zinc/41/33/54/441413354.db2.gz RSAABAJTHLMFQD-KSZLIROESA-N 2 0 336.524 1.488 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000074676323 441455984 /nfs/dbraw/zinc/45/59/84/441455984.db2.gz JLRRRANPBJFCMQ-UHFFFAOYSA-N 2 0 346.519 1.846 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000090582416 441636838 /nfs/dbraw/zinc/63/68/38/441636838.db2.gz SPKCGVHEKPPAIU-SCRDCRAPSA-N 2 0 345.534 1.653 20 0 EDADRP O[C@H](COc1ccccc1)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682409 441674592 /nfs/dbraw/zinc/67/45/92/441674592.db2.gz JTWRTAMGEWVZDI-SFHVURJKSA-N 2 0 334.460 1.471 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115677123 441768712 /nfs/dbraw/zinc/76/87/12/441768712.db2.gz CPDZLORZQLQWEW-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000121626212 441745241 /nfs/dbraw/zinc/74/52/41/441745241.db2.gz AACJOKKPKDRRDQ-AEFFLSMTSA-N 2 0 342.528 1.355 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000068190788 441750369 /nfs/dbraw/zinc/75/03/69/441750369.db2.gz ZKLZLWAQPMOGRL-SFHVURJKSA-N 2 0 332.492 1.432 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000116245580 441804988 /nfs/dbraw/zinc/80/49/88/441804988.db2.gz RNVRAGBOGCGQHA-RYQLBKOJSA-N 2 0 332.492 1.994 20 0 EDADRP NC(=O)c1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000173954798 441868124 /nfs/dbraw/zinc/86/81/24/441868124.db2.gz FTYYPKOTOPVMGQ-UHFFFAOYSA-N 2 0 331.460 1.862 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116438625 441822450 /nfs/dbraw/zinc/82/24/50/441822450.db2.gz OCERXLFZJVYPCR-HOTGVXAUSA-N 2 0 341.544 1.288 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@](C)(CO)C2CCCCC2)CC1 ZINC000077656817 441823810 /nfs/dbraw/zinc/82/38/10/441823810.db2.gz ISQBLPPLAHGXJM-SFHVURJKSA-N 2 0 325.497 1.508 20 0 EDADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000092746443 441824908 /nfs/dbraw/zinc/82/49/08/441824908.db2.gz WBBCYKWICMIFOP-IAGOWNOFSA-N 2 0 346.519 1.652 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC1CC[NH+](CCO)CC1)C(C)(C)C ZINC000116549476 441828643 /nfs/dbraw/zinc/82/86/43/441828643.db2.gz ZXXACBGJCIPFGO-INIZCTEOSA-N 2 0 342.528 1.356 20 0 EDADRP C[C@@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000122086054 441834354 /nfs/dbraw/zinc/83/43/54/441834354.db2.gz VULUVTLVRHSPLI-NNXHMXCWSA-N 2 0 325.497 1.863 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCO[C@@H]3CCCC[C@H]32)CC1 ZINC000069173115 441903049 /nfs/dbraw/zinc/90/30/49/441903049.db2.gz RGDVTLCLYFYKMM-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000124315526 441915909 /nfs/dbraw/zinc/91/59/09/441915909.db2.gz GQVMODWHOVKHJK-INIZCTEOSA-N 2 0 348.491 1.903 20 0 EDADRP C[NH+]1CCC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000174018026 441878529 /nfs/dbraw/zinc/87/85/29/441878529.db2.gz MZBJBFUPXJWBGF-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H](C)C(=O)NC)CC1 ZINC000093899450 441899327 /nfs/dbraw/zinc/89/93/27/441899327.db2.gz AWGRNSSDDYHYFA-INIZCTEOSA-N 2 0 332.492 1.642 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124459914 441928731 /nfs/dbraw/zinc/92/87/31/441928731.db2.gz QZGIRONEBFKKCO-XKGZKEIXSA-N 2 0 345.487 1.612 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCN2CCC[N@H+](C)CC2)C[C@@H]1C ZINC000161672869 442022538 /nfs/dbraw/zinc/02/25/38/442022538.db2.gz KCEHPMXVHRNVRZ-RCCFBDPRSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151294677 442039061 /nfs/dbraw/zinc/03/90/61/442039061.db2.gz QIIMCBKCWRTCBP-GXTWGEPZSA-N 2 0 345.285 1.471 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000079874941 442092946 /nfs/dbraw/zinc/09/29/46/442092946.db2.gz ZOOHCGCMECFVPU-IBGZPJMESA-N 2 0 342.487 1.998 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000458670216 447447248 /nfs/dbraw/zinc/44/72/48/447447248.db2.gz XDALCIFPBQIFTE-IAGOWNOFSA-N 2 0 340.512 1.397 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2(OC)CC[NH2+]CC2)[NH+](C)C)c1 ZINC000163598363 442175651 /nfs/dbraw/zinc/17/56/51/442175651.db2.gz HJCCUYYLUVGWEH-INIZCTEOSA-N 2 0 335.448 1.183 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H]1CCCN(c2ccccn2)C1)C1CC1 ZINC000127227186 442183260 /nfs/dbraw/zinc/18/32/60/442183260.db2.gz MWKYJBCCAQOCQY-HNNXBMFYSA-N 2 0 331.464 1.834 20 0 EDADRP COCCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000127291283 442190010 /nfs/dbraw/zinc/19/00/10/442190010.db2.gz DXYGQLCRQUQOJR-AEFFLSMTSA-N 2 0 333.476 1.734 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176207534 442191843 /nfs/dbraw/zinc/19/18/43/442191843.db2.gz BBJCZSXBVJJOAA-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000166061367 442213601 /nfs/dbraw/zinc/21/36/01/442213601.db2.gz LNWGZTVXDNAACD-INIZCTEOSA-N 2 0 337.464 1.831 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000166708820 442217679 /nfs/dbraw/zinc/21/76/79/442217679.db2.gz WSOIZRHDWRGYSX-INIZCTEOSA-N 2 0 349.500 1.861 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168097663 442223114 /nfs/dbraw/zinc/22/31/14/442223114.db2.gz WDUZDQXTORUDPY-CRAIPNDOSA-N 2 0 333.476 1.404 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000168879310 442225332 /nfs/dbraw/zinc/22/53/32/442225332.db2.gz WTDNDODLSMWOIO-OAHLLOKOSA-N 2 0 341.521 1.233 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000177095965 442296111 /nfs/dbraw/zinc/29/61/11/442296111.db2.gz KYWXOMFULVNNPN-QGZVFWFLSA-N 2 0 325.497 1.820 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000177307388 442326889 /nfs/dbraw/zinc/32/68/89/442326889.db2.gz HNHUVLIYBYKNSQ-INIZCTEOSA-N 2 0 346.475 1.405 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000154740083 442354181 /nfs/dbraw/zinc/35/41/81/442354181.db2.gz FANLOZVGYRJNQD-QGZVFWFLSA-N 3 0 341.544 1.242 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)C1 ZINC000177164663 442308069 /nfs/dbraw/zinc/30/80/69/442308069.db2.gz CXWWOVQLYCLUHR-NSHDSACASA-N 2 0 338.374 1.038 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000171978359 442395559 /nfs/dbraw/zinc/39/55/59/442395559.db2.gz MLWSSUIODOAQQV-UHFFFAOYSA-N 2 0 347.463 1.202 20 0 EDADRP C[C@@H](O)CN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000186832348 442618892 /nfs/dbraw/zinc/61/88/92/442618892.db2.gz HJDHXBIWCYEETG-SJLPKXTDSA-N 2 0 331.460 1.176 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)C1 ZINC000187897583 442697028 /nfs/dbraw/zinc/69/70/28/442697028.db2.gz YYNRCEZXEWXLRV-DLBZAZTESA-N 2 0 335.423 1.237 20 0 EDADRP C[C@@]1(C(=O)NCc2cccc(CN3CCOCC3)c2)CCCC[NH2+]1 ZINC000180985956 442673361 /nfs/dbraw/zinc/67/33/61/442673361.db2.gz ZIKANWCYJQEZQG-IBGZPJMESA-N 2 0 331.460 1.667 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2coc(C[NH3+])c2)CC1 ZINC000188142719 442715926 /nfs/dbraw/zinc/71/59/26/442715926.db2.gz JMIQKVXZRFYRAV-GJZGRUSLSA-N 2 0 334.464 1.369 20 0 EDADRP C[C@@H](CN1CCOCC1)NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000193587802 442756913 /nfs/dbraw/zinc/75/69/13/442756913.db2.gz FJHVUYZKEOPKDN-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@H+](CC(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000188120750 442714005 /nfs/dbraw/zinc/71/40/05/442714005.db2.gz JJSXMUMZIOWPFW-HXUWFJFHSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C[C@H](C)O1 ZINC000188713317 442795740 /nfs/dbraw/zinc/79/57/40/442795740.db2.gz TTWFMFLFHJWQQD-IHETXDGRSA-N 2 0 349.450 1.612 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000246433189 442781101 /nfs/dbraw/zinc/78/11/01/442781101.db2.gz TVLGQQAEKFTYDF-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000246931091 442822193 /nfs/dbraw/zinc/82/21/93/442822193.db2.gz NGNGBRYVSBWSEJ-IYWMVGAKSA-N 2 0 334.552 1.819 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000268139988 442865423 /nfs/dbraw/zinc/86/54/23/442865423.db2.gz QSGHNYVZHPCUFP-AYBZRNKSSA-N 2 0 344.503 1.941 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CC1 ZINC000182950484 442853329 /nfs/dbraw/zinc/85/33/29/442853329.db2.gz DOUUXQKHEXVGMV-MRXNPFEDSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1[NH+](C)C ZINC000268220847 442905620 /nfs/dbraw/zinc/90/56/20/442905620.db2.gz OPCMLOQAGVWUAB-WMLDXEAASA-N 2 0 336.455 1.849 20 0 EDADRP CO[C@H]1C[NH+](CCOCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000189256296 442906401 /nfs/dbraw/zinc/90/64/01/442906401.db2.gz LIPJKSTUGNDPAD-XLAORIBOSA-N 2 0 328.497 1.717 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000265789923 442922180 /nfs/dbraw/zinc/92/21/80/442922180.db2.gz IHIUPLSURXKCEG-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP CN(C(=O)NC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000268499039 443010956 /nfs/dbraw/zinc/01/09/56/443010956.db2.gz HKMSQIYQSIOHFC-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCc1ccncc1 ZINC000268643124 443062335 /nfs/dbraw/zinc/06/23/35/443062335.db2.gz OLBLGOULSYFXMX-UHFFFAOYSA-N 2 0 335.496 1.539 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NCC(=O)N1CCOCC1 ZINC000184742591 443070279 /nfs/dbraw/zinc/07/02/79/443070279.db2.gz DSHYEVROWIAEON-XEWABKELSA-N 2 0 345.487 1.591 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(NS(C)(=O)=O)cc1 ZINC000268814336 443116792 /nfs/dbraw/zinc/11/67/92/443116792.db2.gz JUCIXKVJXKZEGC-DVOMOZLQSA-N 2 0 325.478 1.876 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237940010 443189639 /nfs/dbraw/zinc/18/96/39/443189639.db2.gz VWLRKTTUPDNQTK-LJQANCHMSA-N 2 0 344.503 1.929 20 0 EDADRP COC(=O)[C@]1(C)CC[N@H+](CC[C@H](C)[NH+]2CC[C@](C)(C(=O)OC)C2)C1 ZINC000245704182 443245765 /nfs/dbraw/zinc/24/57/65/443245765.db2.gz WQLCBOSFAFBAPO-QGTPRVQTSA-N 2 0 340.464 1.535 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2CN2CCOCC2)C1 ZINC000266798420 443245879 /nfs/dbraw/zinc/24/58/79/443245879.db2.gz CMSMGARXTFUPQR-INIZCTEOSA-N 2 0 331.460 1.590 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000355475948 319109474 /nfs/dbraw/zinc/10/94/74/319109474.db2.gz QHQSJORZNQJTCS-INIZCTEOSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000269254250 443252085 /nfs/dbraw/zinc/25/20/85/443252085.db2.gz IXLUORWZXPDMJX-KBAYOESNSA-N 2 0 331.460 1.534 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCN(C)[C@H]2c2ccccc2)CC1 ZINC000411689712 319195857 /nfs/dbraw/zinc/19/58/57/319195857.db2.gz GDZJZUYVVZQSIJ-ICSRJNTNSA-N 2 0 344.503 1.622 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000269255174 443253066 /nfs/dbraw/zinc/25/30/66/443253066.db2.gz RSRAFKQBHWCWEQ-OALUTQOASA-N 2 0 345.487 1.954 20 0 EDADRP COc1ccccc1C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C1CC1 ZINC000414670684 319338925 /nfs/dbraw/zinc/33/89/25/319338925.db2.gz DREUVRJBPGLWTP-OAHLLOKOSA-N 2 0 331.460 1.857 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000414673871 319339719 /nfs/dbraw/zinc/33/97/19/319339719.db2.gz RGDSQLJYWLKLJB-OAHLLOKOSA-N 2 0 346.475 1.883 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000414685127 319342196 /nfs/dbraw/zinc/34/21/96/319342196.db2.gz YBBATGPXDHYGCQ-INIZCTEOSA-N 2 0 348.491 1.827 20 0 EDADRP COc1cccc([C@@H]2CN(C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCO2)c1 ZINC000414690632 319342685 /nfs/dbraw/zinc/34/26/85/319342685.db2.gz HWYASAGPAJBNQJ-YJBOKZPZSA-N 2 0 347.459 1.266 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](CN2CCO[C@H](c3cccc(F)c3)C2)C1 ZINC000414689738 319342745 /nfs/dbraw/zinc/34/27/45/319342745.db2.gz GSVAZIZEPJZFSI-YOEHRIQHSA-N 2 0 335.423 1.396 20 0 EDADRP COc1cccc(C[C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992637 319344170 /nfs/dbraw/zinc/34/41/70/319344170.db2.gz TYOGAFLVJXJXHQ-JSGCOSHPSA-N 2 0 346.397 1.447 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000415237069 319355303 /nfs/dbraw/zinc/35/53/03/319355303.db2.gz HOJWNRXSNAIQNL-UONOGXRCSA-N 2 0 349.479 1.694 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415236385 319355353 /nfs/dbraw/zinc/35/53/53/319355353.db2.gz FLGVBGZHWRXMDP-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)c2C1 ZINC000415336271 319361082 /nfs/dbraw/zinc/36/10/82/319361082.db2.gz VJVUXUCKMKSIJI-DZGCQCFKSA-N 2 0 344.459 1.463 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2C1 ZINC000415336285 319361198 /nfs/dbraw/zinc/36/11/98/319361198.db2.gz VJVUXUCKMKSIJI-ZFWWWQNUSA-N 2 0 344.459 1.463 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1C[NH+](C)C ZINC000415852780 319377899 /nfs/dbraw/zinc/37/78/99/319377899.db2.gz RPSYUFWZDLXFQD-CZUORRHYSA-N 2 0 346.475 1.438 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000415871625 319380041 /nfs/dbraw/zinc/38/00/41/319380041.db2.gz QQRKUTSKTXLISQ-CVEARBPZSA-N 2 0 344.459 1.063 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000415974843 319386638 /nfs/dbraw/zinc/38/66/38/319386638.db2.gz RPYHKVZPOMSYIN-OAHLLOKOSA-N 2 0 333.480 1.411 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000269279561 443264063 /nfs/dbraw/zinc/26/40/63/443264063.db2.gz ZJSQHOCIZLIKBT-IRXDYDNUSA-N 2 0 333.476 1.803 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](CO)C1 ZINC000266969680 443305905 /nfs/dbraw/zinc/30/59/05/443305905.db2.gz ZPLWCYNQWJHFPB-SJLPKXTDSA-N 2 0 345.487 1.470 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416852579 319467111 /nfs/dbraw/zinc/46/71/11/319467111.db2.gz SHDAKAGYHGRRBN-MRXNPFEDSA-N 2 0 334.464 1.741 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000416905299 319470854 /nfs/dbraw/zinc/47/08/54/319470854.db2.gz GBASJETVGMJPSO-KRWDZBQOSA-N 2 0 334.464 1.693 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H](C)[NH2+]C)c1cccc(OC)c1 ZINC000416930095 319477193 /nfs/dbraw/zinc/47/71/93/319477193.db2.gz XOHRFTNRKXROHH-WMLDXEAASA-N 2 0 336.480 1.985 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417371153 319495171 /nfs/dbraw/zinc/49/51/71/319495171.db2.gz VFEMOJWOTAZGQG-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000417469225 319495452 /nfs/dbraw/zinc/49/54/52/319495452.db2.gz PWWIQZBYOCWPBC-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418689614 319511717 /nfs/dbraw/zinc/51/17/17/319511717.db2.gz VPXDMQAPYXBJPO-IECFSIQFSA-N 2 0 328.460 1.429 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000418932267 319535698 /nfs/dbraw/zinc/53/56/98/319535698.db2.gz GHVZJEZXUKDGPR-MRXNPFEDSA-N 2 0 338.496 1.017 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000278996331 443484552 /nfs/dbraw/zinc/48/45/52/443484552.db2.gz LOTRLEJJZSUGOJ-AWEZNQCLSA-N 2 0 327.432 1.843 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)c1 ZINC000278840059 443458006 /nfs/dbraw/zinc/45/80/06/443458006.db2.gz ZNKZTHCKWZTYOH-SFHVURJKSA-N 2 0 331.460 1.870 20 0 EDADRP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC(=O)N1CCNC1=O ZINC000270097929 443460238 /nfs/dbraw/zinc/46/02/38/443460238.db2.gz BKXOCMFLNSOGDL-CQSZACIVSA-N 2 0 341.415 1.361 20 0 EDADRP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCNS(C)(=O)=O ZINC000270108037 443460533 /nfs/dbraw/zinc/46/05/33/443460533.db2.gz CUQMRFMQKJOBQT-AWEZNQCLSA-N 2 0 336.461 1.358 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000422928976 319738221 /nfs/dbraw/zinc/73/82/21/319738221.db2.gz NSNNJWDGQTZNEQ-MRXNPFEDSA-N 2 0 339.505 1.949 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOCC(F)(F)F)CC[NH2+]CC1 ZINC000422932337 319739105 /nfs/dbraw/zinc/73/91/05/319739105.db2.gz ZAQOZROZUPFNLO-LLVKDONJSA-N 2 0 326.359 1.476 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1cccc(Br)c1)[C@@H]1CC[NH2+]C1 ZINC000422957221 319742220 /nfs/dbraw/zinc/74/22/20/319742220.db2.gz SQLPQYPIYWBBOP-WCQYABFASA-N 2 0 340.265 1.767 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@]2(C)CCCC[NH2+]2)cc1 ZINC000272957517 443501768 /nfs/dbraw/zinc/50/17/68/443501768.db2.gz NHXLQSSQNTYLPS-LJQANCHMSA-N 2 0 333.476 1.818 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423184658 319755180 /nfs/dbraw/zinc/75/51/80/319755180.db2.gz MNFWTCCMPBTQCJ-IRXDYDNUSA-N 2 0 325.497 1.773 20 0 EDADRP Cc1nscc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272974855 443507909 /nfs/dbraw/zinc/50/79/09/443507909.db2.gz ZWAJPAMJRCWMHI-UHFFFAOYSA-N 2 0 345.472 1.789 20 0 EDADRP C[NH+](C)C1CCN(CCN[C@@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000279098124 443512712 /nfs/dbraw/zinc/51/27/12/443512712.db2.gz UZAPRDBVHOUWGK-QGZVFWFLSA-N 2 0 328.464 1.510 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000423476699 319778411 /nfs/dbraw/zinc/77/84/11/319778411.db2.gz JIOCFFQBLNLIHB-RHSMWYFYSA-N 2 0 337.489 1.833 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430560393 319934119 /nfs/dbraw/zinc/93/41/19/319934119.db2.gz ZWSZMWDHYXAUIN-UHFFFAOYSA-N 2 0 349.475 1.483 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C(C)(C)C ZINC000433372903 319978459 /nfs/dbraw/zinc/97/84/59/319978459.db2.gz BPOZPBHAEJYBNJ-ZIAGYGMSSA-N 2 0 336.484 1.299 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000449724223 320201983 /nfs/dbraw/zinc/20/19/83/320201983.db2.gz MQEICNSZKZGBBM-PSOPSSQASA-N 2 0 340.265 1.867 20 0 EDADRP CC1(C)[NH2+]CC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000449748039 320204366 /nfs/dbraw/zinc/20/43/66/320204366.db2.gz AJWNPVVKYHKANL-KRWDZBQOSA-N 2 0 330.476 1.455 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457744757 320334667 /nfs/dbraw/zinc/33/46/67/320334667.db2.gz PMKJCNHJVJCMGS-MRXNPFEDSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+]CCCn1cc(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)nn1 ZINC000519649980 320469731 /nfs/dbraw/zinc/46/97/31/320469731.db2.gz ZMTXFDUZBLFWSI-UHFFFAOYSA-N 2 0 342.325 1.357 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280844087 443756721 /nfs/dbraw/zinc/75/67/21/443756721.db2.gz MFXUHMQMEBBZLN-RYQLBKOJSA-N 2 0 336.476 1.923 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)cc1 ZINC000280930674 443777660 /nfs/dbraw/zinc/77/76/60/443777660.db2.gz VBASQTQPUNSPPH-XLIONFOSSA-N 2 0 345.487 1.675 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C(=O)N2CCNC2=O)c1 ZINC000298875962 443890242 /nfs/dbraw/zinc/89/02/42/443890242.db2.gz LYPCJKHYPCPWIP-CQSZACIVSA-N 2 0 332.448 1.558 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000299567965 444081283 /nfs/dbraw/zinc/08/12/83/444081283.db2.gz OZNRWKCNBBZSLC-UHFFFAOYSA-N 2 0 325.416 1.419 20 0 EDADRP Cc1ccc(C2(CNC(=O)N3CCN(C)C[C@H]3C[NH3+])CC2)c(C)c1 ZINC000562818500 321078783 /nfs/dbraw/zinc/07/87/83/321078783.db2.gz RIWCFUCHWMBJHH-MRXNPFEDSA-N 2 0 330.476 1.619 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000563714836 321113103 /nfs/dbraw/zinc/11/31/03/321113103.db2.gz MTPGWYAFESHGOH-MAUKXSAKSA-N 2 0 331.460 1.211 20 0 EDADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564852940 321151395 /nfs/dbraw/zinc/15/13/95/321151395.db2.gz VIADDFYMSOMIFF-JEWRLFTDSA-N 2 0 336.476 1.773 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2C[C@@H](c3cnn(C)c3)C(C)(C)C2)CC1 ZINC000565171759 321172461 /nfs/dbraw/zinc/17/24/61/321172461.db2.gz MVOHZBNWFKYIEN-KRWDZBQOSA-N 2 0 347.507 1.446 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000566101068 321214571 /nfs/dbraw/zinc/21/45/71/321214571.db2.gz KSINFQRMRUBJQQ-LJHODMEESA-N 2 0 340.471 1.980 20 0 EDADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000566106681 321215404 /nfs/dbraw/zinc/21/54/04/321215404.db2.gz WXODMHNLGXRFPI-QAPCUYQASA-N 2 0 334.460 1.950 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116712 321217280 /nfs/dbraw/zinc/21/72/80/321217280.db2.gz KKQKUOFHYNZFOI-FUHWJXTLSA-N 2 0 334.460 1.517 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567842609 321261880 /nfs/dbraw/zinc/26/18/80/321261880.db2.gz UJSFROAXXIQMLG-RDJZCZTQSA-N 3 0 330.476 1.094 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000568748087 321304858 /nfs/dbraw/zinc/30/48/58/321304858.db2.gz ADCIFWBFFFXLKA-BBRMVZONSA-N 2 0 345.491 1.581 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](CC)CC2)c1 ZINC000568853272 321308952 /nfs/dbraw/zinc/30/89/52/321308952.db2.gz QJBIOUJKIVEJMV-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000570549602 321347054 /nfs/dbraw/zinc/34/70/54/321347054.db2.gz QTHWFOIDLINVJK-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000570839964 321360340 /nfs/dbraw/zinc/36/03/40/321360340.db2.gz QOGNYXQQOCOTAT-ZWKOTPCHSA-N 2 0 347.459 1.154 20 0 EDADRP CN(C(=O)NC[C@@H]1CCC[NH2+]1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000572104671 321414954 /nfs/dbraw/zinc/41/49/54/321414954.db2.gz NNDJGTWFYHUWOJ-KRWDZBQOSA-N 2 0 345.491 1.482 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000295213991 444171644 /nfs/dbraw/zinc/17/16/44/444171644.db2.gz QGZVIJLQGMZXAJ-CQSZACIVSA-N 2 0 349.450 1.926 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000285939986 444158775 /nfs/dbraw/zinc/15/87/75/444158775.db2.gz VNCHSXKBDONZIP-RBUKOAKNSA-N 2 0 343.471 1.828 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000576212292 321547024 /nfs/dbraw/zinc/54/70/24/321547024.db2.gz PBJLSEZDIUDPHG-SFHVURJKSA-N 2 0 347.463 1.312 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000576230924 321549031 /nfs/dbraw/zinc/54/90/31/321549031.db2.gz SUKAXCMPOZZKJF-ROUUACIJSA-N 2 0 336.524 1.582 20 0 EDADRP COCCN(Cc1ccc2c(c1)OCO2)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289776704 444202229 /nfs/dbraw/zinc/20/22/29/444202229.db2.gz KTEUYDQIWWUOTJ-INIZCTEOSA-N 2 0 336.432 1.319 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cncnc2)CC1 ZINC000289791787 444204022 /nfs/dbraw/zinc/20/40/22/444204022.db2.gz LZETVHUTDDKAHI-UHFFFAOYSA-N 2 0 331.464 1.291 20 0 EDADRP COc1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cc(OC)c1O ZINC000290224782 444256097 /nfs/dbraw/zinc/25/60/97/444256097.db2.gz FIEHLGCTXWKODQ-CQSZACIVSA-N 2 0 337.464 1.383 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)C2CCCCC2)CC1 ZINC000303277435 444235594 /nfs/dbraw/zinc/23/55/94/444235594.db2.gz LHKYLQONRYYMAC-INIZCTEOSA-N 2 0 339.524 1.802 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000297580621 444303966 /nfs/dbraw/zinc/30/39/66/444303966.db2.gz YPNYYXRZQPIXMN-MRXNPFEDSA-N 2 0 344.463 1.869 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc3c[nH+]cn3c2)C[C@@H](C)O1 ZINC000297691766 444319464 /nfs/dbraw/zinc/31/94/64/444319464.db2.gz WWIPQYBIYMHMPO-HUUCEWRRSA-N 2 0 345.447 1.633 20 0 EDADRP C[N@H+](C[C@@H](O)CNC[C@@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000310505693 444292397 /nfs/dbraw/zinc/29/23/97/444292397.db2.gz JBPRIRIFNYCHPE-ICSRJNTNSA-N 2 0 331.504 1.943 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000578316237 321755206 /nfs/dbraw/zinc/75/52/06/321755206.db2.gz SOZCNDSFVFWORU-MSOLQXFVSA-N 2 0 335.492 1.208 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000578445835 321776140 /nfs/dbraw/zinc/77/61/40/321776140.db2.gz VBQYKIGHGOAGCJ-SFHVURJKSA-N 3 0 346.519 1.749 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000578532995 321791128 /nfs/dbraw/zinc/79/11/28/321791128.db2.gz OEVKRNZNYZEZMN-KBXIAJHMSA-N 2 0 340.512 1.101 20 0 EDADRP CC(C)CN(CC(C)C)C(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000321323477 444335237 /nfs/dbraw/zinc/33/52/37/444335237.db2.gz BJRYEADVXPZHNN-UHFFFAOYSA-N 2 0 327.513 1.957 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)NCc2ccc(Cl)cc2)CC1 ZINC000321496709 444336220 /nfs/dbraw/zinc/33/62/20/444336220.db2.gz IMKBWFBBBUEVIL-UHFFFAOYSA-N 2 0 339.867 1.786 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000340506096 444415578 /nfs/dbraw/zinc/41/55/78/444415578.db2.gz SNHUKIXTAPEFCQ-CDHQVMDDSA-N 2 0 329.488 1.478 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340523609 444424171 /nfs/dbraw/zinc/42/41/71/444424171.db2.gz GRSSHCCLRBLDCN-RDJZCZTQSA-N 2 0 335.427 1.980 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000340661041 444475470 /nfs/dbraw/zinc/47/54/70/444475470.db2.gz UGEVXDAJOYUYFA-HNNXBMFYSA-N 2 0 348.491 1.781 20 0 EDADRP C[C@]1(C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)CC[NH2+]C1 ZINC000580430038 322049900 /nfs/dbraw/zinc/04/99/00/322049900.db2.gz SVGAMOPXWCMYMN-IBGZPJMESA-N 2 0 345.491 1.582 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1Cl ZINC000580543694 322064000 /nfs/dbraw/zinc/06/40/00/322064000.db2.gz ODCGNSWNHSZJER-HUUCEWRRSA-N 2 0 341.883 1.305 20 0 EDADRP O=C(C[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21)N1CC[NH2+]CC1 ZINC000580768061 322092785 /nfs/dbraw/zinc/09/27/85/322092785.db2.gz LAUXBUHKESYZOY-KRWDZBQOSA-N 2 0 339.443 1.271 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000580882248 322107106 /nfs/dbraw/zinc/10/71/06/322107106.db2.gz HBTIDVKJOVYHKF-HNNXBMFYSA-N 2 0 340.537 1.775 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000580887294 322107884 /nfs/dbraw/zinc/10/78/84/322107884.db2.gz LNSPZFFAQOIJTN-OWCLPIDISA-N 2 0 348.491 1.751 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000580912283 322111863 /nfs/dbraw/zinc/11/18/63/322111863.db2.gz IRHRGCYSEICFSX-QGZVFWFLSA-N 2 0 345.491 1.146 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000581138518 322140985 /nfs/dbraw/zinc/14/09/85/322140985.db2.gz MZUNHUWSZUYMSS-ROUUACIJSA-N 2 0 331.460 1.546 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc4c3OCCO4)C2)nn1 ZINC000581179261 322144888 /nfs/dbraw/zinc/14/48/88/322144888.db2.gz XCTAHSMISZAQGS-OAHLLOKOSA-N 2 0 329.404 1.345 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000581320944 322164110 /nfs/dbraw/zinc/16/41/10/322164110.db2.gz SSIFVLRCAMLYJT-SFHVURJKSA-N 2 0 333.476 1.367 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000581893231 322229843 /nfs/dbraw/zinc/22/98/43/322229843.db2.gz LZXMKCINSBJSKO-QGZVFWFLSA-N 2 0 344.503 1.889 20 0 EDADRP CNC(=O)[C@@H](CCSC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000342323468 444629966 /nfs/dbraw/zinc/62/99/66/444629966.db2.gz OGVGQTJPHUKMGD-OAHLLOKOSA-N 2 0 333.461 1.533 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCc1cn2c(n1)CCCC2 ZINC000332930158 444600555 /nfs/dbraw/zinc/60/05/55/444600555.db2.gz PXEVPQBOVBESTB-HOTGVXAUSA-N 2 0 331.464 1.988 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000343823102 444611609 /nfs/dbraw/zinc/61/16/09/444611609.db2.gz SZWWIACZCNBNGC-BFYDXBDKSA-N 2 0 338.496 1.269 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000332981009 444619531 /nfs/dbraw/zinc/61/95/31/444619531.db2.gz UYQGIOBKOUBJIM-HOCLYGCPSA-N 2 0 331.464 1.845 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000333950357 444727077 /nfs/dbraw/zinc/72/70/77/444727077.db2.gz YAXDOKFDWCOPER-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000342549512 444740547 /nfs/dbraw/zinc/74/05/47/444740547.db2.gz WFSMBROGYNHIKH-DYVFJYSZSA-N 2 0 348.491 1.817 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000341273578 444757142 /nfs/dbraw/zinc/75/71/42/444757142.db2.gz IGHLSCUDPIJDAC-UHFFFAOYSA-N 2 0 337.468 1.161 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000344078409 444769610 /nfs/dbraw/zinc/76/96/10/444769610.db2.gz QNEWNOYQIBQXCK-QGZVFWFLSA-N 2 0 345.491 1.052 20 0 EDADRP c1ccc(C[NH+]2CC[C@@H]3C[N@@H+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701114 444794792 /nfs/dbraw/zinc/79/47/92/444794792.db2.gz JUZJEHWWXMPVNL-UXHICEINSA-N 2 0 329.488 1.773 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344125556 444795370 /nfs/dbraw/zinc/79/53/70/444795370.db2.gz IAQXLRSWXOYMHY-BRSBDYLESA-N 2 0 328.497 1.189 20 0 EDADRP CC[C@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000342758556 444851581 /nfs/dbraw/zinc/85/15/81/444851581.db2.gz UKXNJLMJXIVIKF-SJORKVTESA-N 2 0 347.459 1.220 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000342764640 444855137 /nfs/dbraw/zinc/85/51/37/444855137.db2.gz JDOZWTYQXWDFQX-BPUTZDHNSA-N 2 0 333.432 1.219 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000344264658 444870149 /nfs/dbraw/zinc/87/01/49/444870149.db2.gz RILWIKMXAKALKW-SFHVURJKSA-N 2 0 343.475 2.466 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341432403 444827680 /nfs/dbraw/zinc/82/76/80/444827680.db2.gz LGVOLMHCDZIJTG-HNNXBMFYSA-N 2 0 342.528 1.905 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCC2CCOCC2)CC1 ZINC000337148596 444962511 /nfs/dbraw/zinc/96/25/11/444962511.db2.gz HFSCGROBLHMNNU-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339060513 445012823 /nfs/dbraw/zinc/01/28/23/445012823.db2.gz ZJVYDJARBKOGKI-UXPWSPDFSA-N 2 0 349.494 1.687 20 0 EDADRP C[C@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061303 445014438 /nfs/dbraw/zinc/01/44/38/445014438.db2.gz HMUKWPXXGNMFPT-OXJNMPFZSA-N 2 0 349.494 1.829 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCCC1 ZINC000344544652 445048317 /nfs/dbraw/zinc/04/83/17/445048317.db2.gz RNUYMDXPRGWTNY-DLBZAZTESA-N 2 0 340.512 1.110 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000343090100 445054096 /nfs/dbraw/zinc/05/40/96/445054096.db2.gz GZGFMWJLWLYJBP-BPQIPLTHSA-N 2 0 330.476 1.560 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343157055 445102561 /nfs/dbraw/zinc/10/25/61/445102561.db2.gz HXXALQQGNNYYMA-HRCADAONSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCNc1cc[nH+]cc1 ZINC000343157542 445103815 /nfs/dbraw/zinc/10/38/15/445103815.db2.gz FSLBHFKZWYXFKK-QGZVFWFLSA-N 2 0 333.480 1.869 20 0 EDADRP O=C(C[NH+]1CCC2(CCOCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000341980948 445106492 /nfs/dbraw/zinc/10/64/92/445106492.db2.gz QGUSRKYYPXZJGW-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000337568055 445141324 /nfs/dbraw/zinc/14/13/24/445141324.db2.gz XMYIRJUHDDCEHD-YESZJQIVSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC000344684950 445127152 /nfs/dbraw/zinc/12/71/52/445127152.db2.gz AUALCBJTGDFNLO-KRWDZBQOSA-N 2 0 336.524 1.347 20 0 EDADRP CC[C@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339270074 445127308 /nfs/dbraw/zinc/12/73/08/445127308.db2.gz KHQUJWQXCDTAGP-PKOBYXMFSA-N 2 0 346.519 1.649 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000330816172 445151786 /nfs/dbraw/zinc/15/17/86/445151786.db2.gz GDXGQTZFAPHPNE-AWEZNQCLSA-N 2 0 333.480 1.939 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343402981 445216613 /nfs/dbraw/zinc/21/66/13/445216613.db2.gz MUKTWAVXCMNRDH-NUJGCVRESA-N 2 0 336.480 1.180 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@H]1C[NH+]2CCN1CCC2 ZINC000343416501 445218565 /nfs/dbraw/zinc/21/85/65/445218565.db2.gz YWGRZGXQFHUXHC-RBUKOAKNSA-N 2 0 342.487 1.157 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC[N@@H+]1C ZINC000345734949 445197436 /nfs/dbraw/zinc/19/74/36/445197436.db2.gz COFWFZVEODAFDP-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@@H](OC)C[N@@H+]2C)CC1 ZINC000347519659 445240571 /nfs/dbraw/zinc/24/05/71/445240571.db2.gz QSUKPVIDAKBSQX-JKSUJKDBSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1C ZINC000343626015 445269377 /nfs/dbraw/zinc/26/93/77/445269377.db2.gz OJFFYKCJGPMUFB-QAPCUYQASA-N 2 0 345.491 1.828 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000348010439 445261324 /nfs/dbraw/zinc/26/13/24/445261324.db2.gz WPOBCQDODAVMBZ-CALCHBBNSA-N 2 0 325.497 1.140 20 0 EDADRP Cc1nc(CN2C[C@H](F)C[C@H]2C[N@H+](C)CC[C@@H]2CCC[NH+]2C)no1 ZINC000348168169 445300092 /nfs/dbraw/zinc/30/00/92/445300092.db2.gz HITWRJVMTLGPLE-PMPSAXMXSA-N 2 0 339.459 1.707 20 0 EDADRP Cc1nccn1CCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000348254457 445329018 /nfs/dbraw/zinc/32/90/18/445329018.db2.gz FGUFAAYULBDGHJ-UHFFFAOYSA-N 2 0 333.480 1.256 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000348644194 445343328 /nfs/dbraw/zinc/34/33/28/445343328.db2.gz MQFAUDUKAHFYJX-HOCLYGCPSA-N 2 0 331.526 1.557 20 0 EDADRP COC(=O)c1cn([C@@H]2CC[N@H+](CCCc3ccc(C)nc3)C2)nn1 ZINC000354643193 445324874 /nfs/dbraw/zinc/32/48/74/445324874.db2.gz ASDZIXFOYMWBDD-OAHLLOKOSA-N 2 0 329.404 1.648 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000349006244 445473013 /nfs/dbraw/zinc/47/30/13/445473013.db2.gz UAAZIMBTJHWOMN-QGZVFWFLSA-N 2 0 331.460 1.046 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357108526 445432975 /nfs/dbraw/zinc/43/29/75/445432975.db2.gz FWWBTTVDURRIIW-SFHVURJKSA-N 2 0 338.540 1.785 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564102 445441841 /nfs/dbraw/zinc/44/18/41/445441841.db2.gz HKKKJFGTRRJEPQ-HNNXBMFYSA-N 2 0 333.480 1.681 20 0 EDADRP COC[C@@]1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000357266423 445516182 /nfs/dbraw/zinc/51/61/82/445516182.db2.gz HVGNWMBIJDXEGY-ICSRJNTNSA-N 2 0 345.487 1.926 20 0 EDADRP CSC1(C[NH2+][C@@H](C(N)=O)c2ccc(F)cc2)CC[NH+](C)CC1 ZINC000357282649 445524211 /nfs/dbraw/zinc/52/42/11/445524211.db2.gz JUBYQADHPDKATJ-CQSZACIVSA-N 2 0 325.453 1.769 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000359923935 445490654 /nfs/dbraw/zinc/49/06/54/445490654.db2.gz MHZRHWNFRJFRKQ-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP COCC[NH+](CCOC)C1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353021368 445571764 /nfs/dbraw/zinc/57/17/64/445571764.db2.gz JPFSZVARYKCFQX-SFHVURJKSA-N 3 0 341.540 1.920 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C)C1 ZINC000353028612 445572158 /nfs/dbraw/zinc/57/21/58/445572158.db2.gz BVXDSNKWBQXYKT-NCOADZHNSA-N 2 0 340.512 1.346 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)[C@@H](C(C)C)C1 ZINC000362845391 445578097 /nfs/dbraw/zinc/57/80/97/445578097.db2.gz ZRZYIOYMMILBRL-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000360125547 445581847 /nfs/dbraw/zinc/58/18/47/445581847.db2.gz PLGFSESUXMTRTC-JKSUJKDBSA-N 2 0 340.512 1.610 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)C[N@H+](C)C(C)C)C1 ZINC000360138179 445590503 /nfs/dbraw/zinc/59/05/03/445590503.db2.gz ZSPIJRNWJFRTGS-IXDOHACOSA-N 2 0 340.512 1.610 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357856903 445586802 /nfs/dbraw/zinc/58/68/02/445586802.db2.gz CFAJMZWGNLMWPR-ZIAGYGMSSA-N 2 0 340.537 1.738 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000357320633 445546196 /nfs/dbraw/zinc/54/61/96/445546196.db2.gz ZEKQWXZBESWTLT-GJYPPUQNSA-N 2 0 344.503 1.550 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000362911138 445607143 /nfs/dbraw/zinc/60/71/43/445607143.db2.gz QUTLJPGJSXYDKB-SFHVURJKSA-N 2 0 347.507 1.781 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@H](C)C[NH+](C)C)CC2)cn1 ZINC000358520384 445630124 /nfs/dbraw/zinc/63/01/24/445630124.db2.gz HCELBWAIRFPUGC-OAHLLOKOSA-N 2 0 336.484 1.070 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000360213633 445633167 /nfs/dbraw/zinc/63/31/67/445633167.db2.gz QFQAMEVDICIWRM-KRWDZBQOSA-N 2 0 336.455 1.182 20 0 EDADRP CC(C)c1cc(NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360217134 445634620 /nfs/dbraw/zinc/63/46/20/445634620.db2.gz DFBQTKZDGMLJEX-HUUCEWRRSA-N 2 0 335.496 2.577 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@H]1c1cnn(C)c1 ZINC000362985020 445638446 /nfs/dbraw/zinc/63/84/46/445638446.db2.gz ARYDYRRUBXDIQM-DLBZAZTESA-N 2 0 333.480 1.008 20 0 EDADRP C[N@H+](CC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)C1CCCC1 ZINC000363020233 445651452 /nfs/dbraw/zinc/65/14/52/445651452.db2.gz FOVFFVGJHOOJRO-IBGZPJMESA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CCC[N@@H+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000349884670 445711910 /nfs/dbraw/zinc/71/19/10/445711910.db2.gz RUWVMRQYZXLYKV-ZHALLVOQSA-N 2 0 339.524 1.407 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349903890 445716843 /nfs/dbraw/zinc/71/68/43/445716843.db2.gz IBKRKOTWVBVPPI-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP COCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(C)C ZINC000363078761 445669589 /nfs/dbraw/zinc/66/95/89/445669589.db2.gz CVDSOXJLRSIPPK-KRWDZBQOSA-N 2 0 343.512 1.064 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000349929663 445723561 /nfs/dbraw/zinc/72/35/61/445723561.db2.gz CKQUGRIRRDELAP-NXOAAHMSSA-N 2 0 340.512 1.373 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000363235153 445734084 /nfs/dbraw/zinc/73/40/84/445734084.db2.gz YWPIXCIKTONTAG-CRAIPNDOSA-N 2 0 345.491 1.685 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000363236586 445734900 /nfs/dbraw/zinc/73/49/00/445734900.db2.gz USLIANMHQJFDDD-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353759789 445742115 /nfs/dbraw/zinc/74/21/15/445742115.db2.gz GAVGHOLMQWUSAY-KRWDZBQOSA-N 2 0 337.508 1.866 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314340 445763328 /nfs/dbraw/zinc/76/33/28/445763328.db2.gz LKOLTQHFPSGCHY-ZWKOTPCHSA-N 2 0 335.492 1.432 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000358867005 445820772 /nfs/dbraw/zinc/82/07/72/445820772.db2.gz SKGMAURMGRKBAF-KBXCAEBGSA-N 2 0 349.450 1.485 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(C(=O)NC)c2)C1 ZINC000350244490 445799296 /nfs/dbraw/zinc/79/92/96/445799296.db2.gz DBLCIWNPIQUKJZ-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000363871850 445880490 /nfs/dbraw/zinc/88/04/90/445880490.db2.gz IFBHRCWXAHHDDO-RCCFBDPRSA-N 2 0 337.508 1.724 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000356521446 445838233 /nfs/dbraw/zinc/83/82/33/445838233.db2.gz KHVDESOKVYKGJE-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000379681725 325718539 /nfs/dbraw/zinc/71/85/39/325718539.db2.gz SRUCHHFEDGXSID-MRXNPFEDSA-N 2 0 342.528 1.763 20 0 EDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000358924923 445851850 /nfs/dbraw/zinc/85/18/50/445851850.db2.gz AOKVSEUQZORWHH-QGZVFWFLSA-N 2 0 340.475 1.734 20 0 EDADRP COCc1ccc(CNC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350949828 445956172 /nfs/dbraw/zinc/95/61/72/445956172.db2.gz LKULSFOLSSIPJP-UHFFFAOYSA-N 2 0 333.476 1.723 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000582480666 325855421 /nfs/dbraw/zinc/85/54/21/325855421.db2.gz IQRZAZAXJMNBPU-CRAIPNDOSA-N 2 0 331.460 1.637 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2nccn(C)c2=O)C1 ZINC000366051865 445982985 /nfs/dbraw/zinc/98/29/85/445982985.db2.gz RQRYZCQHBDMEGE-WCVJEAGWSA-N 2 0 333.480 1.067 20 0 EDADRP C[N@H+](CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000369250408 446021020 /nfs/dbraw/zinc/02/10/20/446021020.db2.gz OWIGXQXLLHYUQG-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000365106834 446028769 /nfs/dbraw/zinc/02/87/69/446028769.db2.gz DVDHZKURCFXWLP-XHSDSOJGSA-N 2 0 338.496 1.100 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1C[NH+](C)CCN1C)[N@H+](C)Cc1ccccc1 ZINC000354210740 446004867 /nfs/dbraw/zinc/00/48/67/446004867.db2.gz ULHQNBSKLNHJPG-ZWKOTPCHSA-N 2 0 332.492 1.259 20 0 EDADRP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1C[C@H](O)C1CCCCC1 ZINC000365074997 446008561 /nfs/dbraw/zinc/00/85/61/446008561.db2.gz XYDICEWXFBGOPW-QRQLOZEOSA-N 2 0 339.524 1.264 20 0 EDADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359217539 446047236 /nfs/dbraw/zinc/04/72/36/446047236.db2.gz LLZDPTMXXSICQV-INIZCTEOSA-N 2 0 336.524 1.441 20 0 EDADRP C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583193387 326022677 /nfs/dbraw/zinc/02/26/77/326022677.db2.gz AVZBMBGWNHIUDD-JQHSSLGASA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cc2)CC1 ZINC000583258519 326035580 /nfs/dbraw/zinc/03/55/80/326035580.db2.gz ZPNZDETTXNHCHM-MRXNPFEDSA-N 2 0 345.409 1.837 20 0 EDADRP O=C(NCc1ccc(-n2ccnc2)nc1)N1CC[NH+](C2CCC2)CC1 ZINC000369314761 446066983 /nfs/dbraw/zinc/06/69/83/446066983.db2.gz DODXSKOYWFQIAA-UHFFFAOYSA-N 2 0 340.431 1.647 20 0 EDADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)n1 ZINC000356874458 446088024 /nfs/dbraw/zinc/08/80/24/446088024.db2.gz QGXNZCRGWPIHEK-KZNAEPCWSA-N 2 0 325.460 1.858 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000356895057 446102566 /nfs/dbraw/zinc/10/25/66/446102566.db2.gz YKSLBWDZIKGJSK-DLBZAZTESA-N 2 0 345.491 1.145 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000365257718 446107930 /nfs/dbraw/zinc/10/79/30/446107930.db2.gz JJEFUZQDUIQQOM-INIZCTEOSA-N 2 0 349.523 1.081 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359278861 446114692 /nfs/dbraw/zinc/11/46/92/446114692.db2.gz UAFSSMUXLSZWIB-QQFBHYJXSA-N 2 0 340.512 1.070 20 0 EDADRP CCOC(=O)c1coc(CNCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000354333242 446119784 /nfs/dbraw/zinc/11/97/84/446119784.db2.gz XOEWZNIDXOCLQV-ZDUSSCGKSA-N 2 0 337.420 1.133 20 0 EDADRP COCCSCCC[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373247977 446122046 /nfs/dbraw/zinc/12/20/46/446122046.db2.gz VKGZWGJUPRGCNX-QGZVFWFLSA-N 2 0 329.554 1.856 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381103 446185632 /nfs/dbraw/zinc/18/56/32/446185632.db2.gz BKKZFGJJSNXAKW-LSDHHAIUSA-N 2 0 336.480 1.118 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000359338532 446158372 /nfs/dbraw/zinc/15/83/72/446158372.db2.gz BXVMFYAYPRBEKL-KZNAEPCWSA-N 2 0 337.508 1.963 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000366424642 446206222 /nfs/dbraw/zinc/20/62/22/446206222.db2.gz AJLNSAKCBNYLBU-KRWDZBQOSA-N 2 0 343.537 1.752 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000366447479 446219501 /nfs/dbraw/zinc/21/95/01/446219501.db2.gz LIPVGBRQKDLSIS-ALOPSCKCSA-N 2 0 329.444 1.179 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCO[C@H]3CCCCO3)CC2)CC1 ZINC000370501401 446309015 /nfs/dbraw/zinc/30/90/15/446309015.db2.gz XBUMVJYZXOOGKA-SFHVURJKSA-N 2 0 339.524 1.879 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1[C@@H](C)CN(C(=O)C[N@@H+](C)C(C)C)C[C@@H]1C ZINC000362307200 446314221 /nfs/dbraw/zinc/31/42/21/446314221.db2.gz YGDWWYHFKBTEKS-HOTGVXAUSA-N 2 0 340.512 1.115 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000417364951 446350179 /nfs/dbraw/zinc/35/01/79/446350179.db2.gz MYTJFKZJPOBOAX-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC(OCCC[NH3+])CC1)C1CCCC1 ZINC000417511865 446358100 /nfs/dbraw/zinc/35/81/00/446358100.db2.gz WVGRJTWYNSVUHW-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)[C@H](C)C1 ZINC000417667722 446369188 /nfs/dbraw/zinc/36/91/88/446369188.db2.gz HJYNZUADLFSDCR-TWMKSMIVSA-N 2 0 340.512 1.515 20 0 EDADRP Cc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000417895519 446378858 /nfs/dbraw/zinc/37/88/58/446378858.db2.gz OPAJBMBVNRLTPW-UHFFFAOYSA-N 2 0 328.464 1.425 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC3(C)CC[NH+](C)CC3)n2)CC1 ZINC000365875156 446382649 /nfs/dbraw/zinc/38/26/49/446382649.db2.gz JJOGTRJJNKGMIX-UHFFFAOYSA-N 2 0 348.495 2.003 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000417929349 446388883 /nfs/dbraw/zinc/38/88/83/446388883.db2.gz IQURJLZSTVCZPY-KRWDZBQOSA-N 2 0 339.528 1.091 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000417362881 446349041 /nfs/dbraw/zinc/34/90/41/446349041.db2.gz LJTYQBCJRQRRTD-GDBMZVCRSA-N 2 0 334.464 1.554 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417986986 446408431 /nfs/dbraw/zinc/40/84/31/446408431.db2.gz HJZYSYQYEDQPGE-BMGDILEWSA-N 2 0 346.475 1.180 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCC[N@@H+]1C ZINC000418013557 446416950 /nfs/dbraw/zinc/41/69/50/446416950.db2.gz ZJTSIEISXTVQTI-SISZQAHGSA-N 2 0 334.508 1.922 20 0 EDADRP COCCOc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1OC ZINC000423201109 446451913 /nfs/dbraw/zinc/45/19/13/446451913.db2.gz HKJIBUCFRDJZPN-OAHLLOKOSA-N 2 0 337.464 1.276 20 0 EDADRP OC(CN1CCCO[C@@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366941034 446419448 /nfs/dbraw/zinc/41/94/48/446419448.db2.gz OEFAOAKDINKFDW-NCXUSEDFSA-N 2 0 338.492 1.634 20 0 EDADRP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420295208 446457456 /nfs/dbraw/zinc/45/74/56/446457456.db2.gz BWSFDHBEBKZJSF-DLBZAZTESA-N 2 0 333.476 1.976 20 0 EDADRP c1cc(N[C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ncc1N1CC[NH2+]CC1 ZINC000423234751 446460845 /nfs/dbraw/zinc/46/08/45/446460845.db2.gz QAWGBPVNVJSOBR-GVDBMIGSSA-N 2 0 331.464 1.060 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H]([NH+](C)C)[C@@H](C)C2)ccc1C[NH+](C)C ZINC000411303547 446481226 /nfs/dbraw/zinc/48/12/26/446481226.db2.gz QSXPCCSYFSLWEN-YOEHRIQHSA-N 2 0 346.475 1.404 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418229144 446467126 /nfs/dbraw/zinc/46/71/26/446467126.db2.gz CGNNOQDLYBCJBO-KLAILNCOSA-N 2 0 339.528 1.231 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311339 446475756 /nfs/dbraw/zinc/47/57/56/446475756.db2.gz QXRUMDXOFNKYEP-GDBMZVCRSA-N 2 0 325.478 1.117 20 0 EDADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc21 ZINC000423205326 446453532 /nfs/dbraw/zinc/45/35/32/446453532.db2.gz PDALKTHRXNCDQQ-ROUUACIJSA-N 2 0 331.460 1.663 20 0 EDADRP CS(=O)(=O)N(CC[N@@H+]1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000420320622 446484997 /nfs/dbraw/zinc/48/49/97/446484997.db2.gz YUADDTNAFWSWJI-QGZVFWFLSA-N 2 0 339.505 1.509 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCC(=O)N2CCc3ccccc32)CC1 ZINC000420325350 446491214 /nfs/dbraw/zinc/49/12/14/446491214.db2.gz CYPJRXHNVPUYFD-XLIONFOSSA-N 2 0 343.471 1.794 20 0 EDADRP CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418336937 446505489 /nfs/dbraw/zinc/50/54/89/446505489.db2.gz INKUUVWRTLLVOD-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CCCN1Cc2cccc(NC(=O)c3cn(CCC[NH3+])nn3)c2C1 ZINC000423374324 446506364 /nfs/dbraw/zinc/50/63/64/446506364.db2.gz IGZXHLFMDOCYFZ-UHFFFAOYSA-N 2 0 328.420 1.605 20 0 EDADRP COCc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000420337213 446508738 /nfs/dbraw/zinc/50/87/38/446508738.db2.gz NIRSCASWNMULGI-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418358155 446513689 /nfs/dbraw/zinc/51/36/89/446513689.db2.gz DLVVSVJBSNKWOR-QGZVFWFLSA-N 2 0 341.544 1.419 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(I)cc1 ZINC000423395305 446515618 /nfs/dbraw/zinc/51/56/18/446515618.db2.gz AIDIBTVBDMYYDM-NDMJEZRESA-N 2 0 346.212 1.522 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)C(=O)OC ZINC000420330520 446499013 /nfs/dbraw/zinc/49/90/13/446499013.db2.gz QASXSUZIMAHPIK-HWMZRRJGSA-N 2 0 339.480 1.012 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418327624 446499899 /nfs/dbraw/zinc/49/98/99/446499899.db2.gz ZHRKCPGZXAUDNY-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388765 446562843 /nfs/dbraw/zinc/56/28/43/446562843.db2.gz MOKIOQGQNPKUJL-ZACQAIPSSA-N 2 0 335.492 1.478 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@H]1CCCC12CCOCC2)N1CC[NH2+]CC1 ZINC000423398573 446517224 /nfs/dbraw/zinc/51/72/24/446517224.db2.gz VPKMHYNBFMLKDG-KBPBESRZSA-N 2 0 335.414 1.761 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423400983 446518358 /nfs/dbraw/zinc/51/83/58/446518358.db2.gz VOELKTKBDBSLBS-HNNXBMFYSA-N 2 0 325.497 1.770 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418376320 446519698 /nfs/dbraw/zinc/51/96/98/446519698.db2.gz GBLAARUFBLFLGP-CEXWTWQISA-N 2 0 342.487 1.902 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2c(Br)cccc21 ZINC000423423124 446529558 /nfs/dbraw/zinc/52/95/58/446529558.db2.gz KUBDRJHMOGVCSY-VCTAVGKDSA-N 2 0 325.250 1.996 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418403615 446532545 /nfs/dbraw/zinc/53/25/45/446532545.db2.gz BVVVSGUUTVYTSG-IRXDYDNUSA-N 3 0 341.544 1.419 20 0 EDADRP C[C@H]1COCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000433138724 446535291 /nfs/dbraw/zinc/53/52/91/446535291.db2.gz ZHRNFDQJCTVWPU-LPHOPBHVSA-N 2 0 345.487 1.913 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000418421804 446538388 /nfs/dbraw/zinc/53/83/88/446538388.db2.gz CXPCNPFDFCRBGG-QZTJIDSGSA-N 2 0 348.491 1.829 20 0 EDADRP COC(=O)c1ccc(N2CC[N@H+](CC[C@@H]3CC[NH2+]C3)[C@H](C)C2)cc1 ZINC000420357976 446538544 /nfs/dbraw/zinc/53/85/44/446538544.db2.gz IJXPECDPUCXDPA-CVEARBPZSA-N 2 0 331.460 1.983 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423445621 446540719 /nfs/dbraw/zinc/54/07/19/446540719.db2.gz YEGDLLJACTXTCS-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP COCCC1(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CCCC1 ZINC000433168816 446540940 /nfs/dbraw/zinc/54/09/40/446540940.db2.gz OTFXMTNTNCZBBJ-UHFFFAOYSA-N 2 0 325.497 1.903 20 0 EDADRP COC1([C@@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)CCOCC1 ZINC000453063411 446541620 /nfs/dbraw/zinc/54/16/20/446541620.db2.gz NPEIBKJDUDLMEC-MRXNPFEDSA-N 2 0 348.491 1.507 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000418432163 446542349 /nfs/dbraw/zinc/54/23/49/446542349.db2.gz SKYAZWKERLAXIF-QGZVFWFLSA-N 2 0 332.448 1.193 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418464167 446553649 /nfs/dbraw/zinc/55/36/49/446553649.db2.gz AORLXVMFCLJVSO-MSOLQXFVSA-N 2 0 348.491 1.168 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423498166 446554940 /nfs/dbraw/zinc/55/49/40/446554940.db2.gz GOHMBSFYZCEDKO-NQBHXWOUSA-N 2 0 328.254 1.716 20 0 EDADRP C[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423503397 446557056 /nfs/dbraw/zinc/55/70/56/446557056.db2.gz DRPWJJDFKDEWFK-JKIFEVAISA-N 2 0 339.505 1.915 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)CC1 ZINC000420381910 446557349 /nfs/dbraw/zinc/55/73/49/446557349.db2.gz CXFHQWRSEWKIKD-AEFFLSMTSA-N 2 0 336.524 1.439 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@H]1COCC[NH2+]1 ZINC000367648623 446570341 /nfs/dbraw/zinc/57/03/41/446570341.db2.gz KIQKTTMCAMJQKE-FHWLQOOXSA-N 2 0 345.487 1.564 20 0 EDADRP C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420406130 446579956 /nfs/dbraw/zinc/57/99/56/446579956.db2.gz PYOILYYFHUIOBK-INIZCTEOSA-N 2 0 345.487 1.599 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCOc2cc(F)cc(Br)c2)CC1 ZINC000420406138 446580597 /nfs/dbraw/zinc/58/05/97/446580597.db2.gz PZZICHKDHLXRNB-UHFFFAOYSA-N 2 0 347.228 1.753 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000418540959 446586691 /nfs/dbraw/zinc/58/66/91/446586691.db2.gz AQLLYQSLJDWPCA-JQFCIGGWSA-N 2 0 334.464 1.738 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1CC ZINC000418558355 446593545 /nfs/dbraw/zinc/59/35/45/446593545.db2.gz XKFDLXCASPRDIG-AEFFLSMTSA-N 2 0 340.512 1.518 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1CCOC ZINC000418594390 446606454 /nfs/dbraw/zinc/60/64/54/446606454.db2.gz NFRNLVJDHGYQTB-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418600118 446609896 /nfs/dbraw/zinc/60/98/96/446609896.db2.gz KIWDBTUFPDSIIZ-KBAYOESNSA-N 2 0 348.491 1.167 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418599208 446609931 /nfs/dbraw/zinc/60/99/31/446609931.db2.gz ZFPAKFANIZZZLE-VYDXJSESSA-N 2 0 334.464 1.867 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000418659588 446639319 /nfs/dbraw/zinc/63/93/19/446639319.db2.gz XOHDQWINGLQWDI-RLFYNMQTSA-N 2 0 348.491 1.345 20 0 EDADRP CC1(C)CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418672556 446643819 /nfs/dbraw/zinc/64/38/19/446643819.db2.gz NQJFQKRLKRHCTM-FVQHAEBGSA-N 2 0 328.460 1.510 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)[C@H](C)C1 ZINC000418674534 446643847 /nfs/dbraw/zinc/64/38/47/446643847.db2.gz OTBBKORAIPTKQW-SOLBZPMBSA-N 2 0 348.491 1.563 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418685028 446648639 /nfs/dbraw/zinc/64/86/39/446648639.db2.gz LXNYVNLNMIITNW-WNRNVDISSA-N 2 0 328.460 1.429 20 0 EDADRP CCn1ccnc1CN(C(=O)C[C@@H]1CCC[NH2+]1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376687881 446653069 /nfs/dbraw/zinc/65/30/69/446653069.db2.gz IKLBKOPKAVZGNT-JKSUJKDBSA-N 2 0 345.491 1.516 20 0 EDADRP C[C@@H](NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418703170 446654938 /nfs/dbraw/zinc/65/49/38/446654938.db2.gz HHRNIYCAXZNDAC-XUWVNRHRSA-N 2 0 340.512 1.643 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000411795428 446677083 /nfs/dbraw/zinc/67/70/83/446677083.db2.gz UVFDJCMJZSNRRA-MJGOQNOKSA-N 2 0 337.508 1.362 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3[C@@H]4CC[C@H]3C[C@@H]([NH3+])C4)c2)CC1 ZINC000375256286 446675034 /nfs/dbraw/zinc/67/50/34/446675034.db2.gz OVAXTPWMYIZJHR-REPLKXPHSA-N 2 0 342.487 1.528 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CN(C)Cc2ccccc21)CN1CCOCC1 ZINC000371090110 446621781 /nfs/dbraw/zinc/62/17/81/446621781.db2.gz WEGAYJJRAIHWHH-YJBOKZPZSA-N 2 0 346.475 1.441 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000418630116 446623185 /nfs/dbraw/zinc/62/31/85/446623185.db2.gz RNJJIKKWEIRBIA-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000420449152 446625303 /nfs/dbraw/zinc/62/53/03/446625303.db2.gz STSIMLDPLPAZBO-OAHLLOKOSA-N 2 0 325.478 1.559 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)COC1CC[NH2+]CC1 ZINC000423650770 446626637 /nfs/dbraw/zinc/62/66/37/446626637.db2.gz UYZAGHPJEMRNFH-UHFFFAOYSA-N 2 0 337.439 1.485 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418650958 446633535 /nfs/dbraw/zinc/63/35/35/446633535.db2.gz XJJUQJWWMWKZBA-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000423768066 446694381 /nfs/dbraw/zinc/69/43/81/446694381.db2.gz ZRWPUAIPDVMIFG-RTBURBONSA-N 2 0 344.503 1.185 20 0 EDADRP CC[C@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423827832 446717790 /nfs/dbraw/zinc/71/77/90/446717790.db2.gz QJXLDXDMQBMORW-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000423834441 446722780 /nfs/dbraw/zinc/72/27/80/446722780.db2.gz ULJTYEPTWWSVRG-KKXDTOCCSA-N 2 0 331.460 1.945 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000418820674 446727068 /nfs/dbraw/zinc/72/70/68/446727068.db2.gz PQDGRIYWWCDMRI-IKGGRYGDSA-N 2 0 346.475 1.100 20 0 EDADRP C[NH+](C)CC1(CNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CCCC1 ZINC000418835712 446740311 /nfs/dbraw/zinc/74/03/11/446740311.db2.gz ZONRVYGMVOWRMA-INIZCTEOSA-N 2 0 346.475 1.041 20 0 EDADRP CC(C)(CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000418825464 446731013 /nfs/dbraw/zinc/73/10/13/446731013.db2.gz BKHNAPMEKSJBER-MRXNPFEDSA-N 2 0 346.475 1.183 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1CC[NH2+]C1 ZINC000423754874 446684025 /nfs/dbraw/zinc/68/40/25/446684025.db2.gz ZHPWFAIUNJTAKE-CYBMUJFWSA-N 2 0 325.403 1.855 20 0 EDADRP Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371294609 446749955 /nfs/dbraw/zinc/74/99/55/446749955.db2.gz LWRBRYANNUUKLN-ONCXSQPRSA-N 2 0 348.487 1.918 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCN1CCC([NH2+][C@@H]2CCS(=O)(=O)C2)CC1 ZINC000375390619 446766477 /nfs/dbraw/zinc/76/64/77/446766477.db2.gz HQJCXSUNNKGUIP-IAGOWNOFSA-N 2 0 343.537 1.102 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423920138 446768145 /nfs/dbraw/zinc/76/81/45/446768145.db2.gz VKHKWFCTYRPULY-UHFFFAOYSA-N 2 0 327.472 1.979 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CCOCC1 ZINC000375398900 446773270 /nfs/dbraw/zinc/77/32/70/446773270.db2.gz BAMIRNYCIJSCKB-GOSISDBHSA-N 2 0 345.487 1.565 20 0 EDADRP C[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000423992147 446812436 /nfs/dbraw/zinc/81/24/36/446812436.db2.gz FWPOICRISVJRNT-VQIMIIECSA-N 2 0 344.503 1.491 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCCCCC1 ZINC000423994284 446813961 /nfs/dbraw/zinc/81/39/61/446813961.db2.gz CBEOZRWZBZWLPU-HOCLYGCPSA-N 2 0 334.468 1.165 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000419079541 446910174 /nfs/dbraw/zinc/91/01/74/446910174.db2.gz NDOZWFOSGNNELO-OAGGEKHMSA-N 2 0 338.496 1.001 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000412248145 446910730 /nfs/dbraw/zinc/91/07/30/446910730.db2.gz LQCQLIRNZXJOPI-KRWDZBQOSA-N 2 0 337.533 1.972 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000368561319 446945387 /nfs/dbraw/zinc/94/53/87/446945387.db2.gz LAYLACSRRQCHRT-QAQDUYKDSA-N 2 0 347.507 1.864 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368574410 446951383 /nfs/dbraw/zinc/95/13/83/446951383.db2.gz BBYISYLETMWAHU-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCC(C)CC1 ZINC000419142911 446955629 /nfs/dbraw/zinc/95/56/29/446955629.db2.gz CQGUWVGCLLHYRQ-OAHLLOKOSA-N 2 0 338.496 1.001 20 0 EDADRP CO[C@@H](CC(C)C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000419199660 447006149 /nfs/dbraw/zinc/00/61/49/447006149.db2.gz FANSRCRSVDCFSN-RBUKOAKNSA-N 2 0 341.540 1.774 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000419215357 447013871 /nfs/dbraw/zinc/01/38/71/447013871.db2.gz OHOJTLBPUJNFIP-CABCVRRESA-N 2 0 346.475 1.141 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372146598 447018343 /nfs/dbraw/zinc/01/83/43/447018343.db2.gz NJJJUJUMMSUXMP-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419171781 446987988 /nfs/dbraw/zinc/98/79/88/446987988.db2.gz PPOUCBIWUSOKOQ-OAHLLOKOSA-N 2 0 340.512 1.391 20 0 EDADRP CCOC1CC(C[NH+]2CCN(C[C@H]3CN(CC)CCO3)CC2)C1 ZINC000375710850 446992056 /nfs/dbraw/zinc/99/20/56/446992056.db2.gz NIMAHEXNWGZOGV-DAWZGUTISA-N 2 0 325.497 1.140 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000372098477 446999965 /nfs/dbraw/zinc/99/99/65/446999965.db2.gz KEBYWVLSKRFVJT-MBNYWOFBSA-N 2 0 327.519 1.938 20 0 EDADRP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443058185 447000018 /nfs/dbraw/zinc/00/00/18/447000018.db2.gz JRNXXXQNQBGKFC-INIZCTEOSA-N 2 0 349.475 1.641 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nc1 ZINC000375723463 447001952 /nfs/dbraw/zinc/00/19/52/447001952.db2.gz PWGXVRMSXSTXMO-UHFFFAOYSA-N 2 0 347.459 1.803 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000368700730 447051061 /nfs/dbraw/zinc/05/10/61/447051061.db2.gz BEYLJOAZPRUTOO-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1nccn1CCCN(C)c1cc(N2CC[C@H]([C@@H](C)O)C2)ncn1 ZINC000413210867 447070424 /nfs/dbraw/zinc/07/04/24/447070424.db2.gz WMWBDJHZWQTFKL-ZBFHGGJFSA-N 2 0 344.463 1.715 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1(C)C ZINC000444189630 447094342 /nfs/dbraw/zinc/09/43/42/447094342.db2.gz VWXDOGIDUYSTQZ-WQVCFCJDSA-N 2 0 329.510 1.072 20 0 EDADRP CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000421382651 447145092 /nfs/dbraw/zinc/14/50/92/447145092.db2.gz BWSTYBLMSUPKGI-GOSISDBHSA-N 2 0 344.503 1.927 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)C1CC1 ZINC000425409969 447149710 /nfs/dbraw/zinc/14/97/10/447149710.db2.gz WTISBQLAOIZCPB-KRWDZBQOSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419410110 447159254 /nfs/dbraw/zinc/15/92/54/447159254.db2.gz AIOJKTDFDYSDTI-DLBZAZTESA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)[NH+](C)C ZINC000455435353 447129769 /nfs/dbraw/zinc/12/97/69/447129769.db2.gz SBQUJMAPEDKUIN-RYQLBKOJSA-N 2 0 330.476 1.710 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377536794 447188172 /nfs/dbraw/zinc/18/81/72/447188172.db2.gz WYZSGTNYQUEABA-IAGOWNOFSA-N 2 0 347.459 1.295 20 0 EDADRP CSC1(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CC1 ZINC000377543536 447192460 /nfs/dbraw/zinc/19/24/60/447192460.db2.gz RFOJPHYYGVVFRV-INIZCTEOSA-N 2 0 327.538 1.609 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)Nc1ccnn1CC[NH+](C)C)C(C)(C)C ZINC000455662717 447201279 /nfs/dbraw/zinc/20/12/79/447201279.db2.gz VNSWUZQAMIOXMS-CQSZACIVSA-N 2 0 338.500 1.933 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000377569261 447212743 /nfs/dbraw/zinc/21/27/43/447212743.db2.gz ASPLSHWIEJJOMY-QGZVFWFLSA-N 2 0 347.459 1.356 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419482615 447215095 /nfs/dbraw/zinc/21/50/95/447215095.db2.gz QNLHUNZSUKKEED-HNNXBMFYSA-N 2 0 340.512 1.201 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000377575664 447215385 /nfs/dbraw/zinc/21/53/85/447215385.db2.gz RHRNDLWYZPGCDQ-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP Cc1ccc(S(=O)(=O)C[C@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447600507 447279671 /nfs/dbraw/zinc/27/96/71/447279671.db2.gz MMSIWDWSPYYALS-HNNXBMFYSA-N 2 0 328.478 1.325 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000458726269 447464153 /nfs/dbraw/zinc/46/41/53/447464153.db2.gz KWUXPLQSFKATEM-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP CCN(C(=O)C(=O)NCC[NH2+]C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419897539 447476435 /nfs/dbraw/zinc/47/64/35/447476435.db2.gz OLHNHMYCVGPWDZ-DOTOQJQBSA-N 2 0 346.475 1.006 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415495377 447478300 /nfs/dbraw/zinc/47/83/00/447478300.db2.gz NJCDQFRKSBTUFO-DOTOQJQBSA-N 2 0 344.459 1.384 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840052 447488039 /nfs/dbraw/zinc/48/80/39/447488039.db2.gz JIBNBVINCULDHR-GVDBMIGSSA-N 2 0 338.496 1.080 20 0 EDADRP [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CC1 ZINC000415539217 447504646 /nfs/dbraw/zinc/50/46/46/447504646.db2.gz LMHFMAURXRADJP-KRWDZBQOSA-N 2 0 344.459 1.465 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415480012 447469664 /nfs/dbraw/zinc/46/96/64/447469664.db2.gz AZZIVHJMOBSZFS-UHFFFAOYSA-N 2 0 334.464 1.173 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C(C)C ZINC000457424229 447577960 /nfs/dbraw/zinc/57/79/60/447577960.db2.gz OQMWENTWBQNFNA-MRXNPFEDSA-N 2 0 328.501 1.251 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210144 447539323 /nfs/dbraw/zinc/53/93/23/447539323.db2.gz OMVKUHRKLPCYDT-PKOBYXMFSA-N 2 0 346.519 1.822 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000396471614 447544611 /nfs/dbraw/zinc/54/46/11/447544611.db2.gz XWVVTSFGFCHISL-AWEZNQCLSA-N 2 0 335.473 1.652 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457755121 447625247 /nfs/dbraw/zinc/62/52/47/447625247.db2.gz XJELSZQQQNBPOO-MRXNPFEDSA-N 2 0 326.485 1.130 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000416824751 447691972 /nfs/dbraw/zinc/69/19/72/447691972.db2.gz PNDCWKLVJFRBKK-INIZCTEOSA-N 2 0 334.464 1.869 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416852779 447697281 /nfs/dbraw/zinc/69/72/81/447697281.db2.gz NAJOLCIICVKJND-DOTOQJQBSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422590307 447658535 /nfs/dbraw/zinc/65/85/35/447658535.db2.gz AQBLBAKRKRGQNM-INIZCTEOSA-N 2 0 342.487 1.971 20 0 EDADRP CCOC(=O)c1ncn(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1N ZINC000459436584 447665493 /nfs/dbraw/zinc/66/54/93/447665493.db2.gz YLUSXMKKNAKUTM-AWEZNQCLSA-N 2 0 349.479 1.763 20 0 EDADRP COCC[NH2+]CCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000416814122 447691252 /nfs/dbraw/zinc/69/12/52/447691252.db2.gz FOXJWKHXILEWGC-UHFFFAOYSA-N 2 0 340.512 1.710 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000416941519 447718261 /nfs/dbraw/zinc/71/82/61/447718261.db2.gz AAFQBFLMWRKVTL-IKGGRYGDSA-N 2 0 339.528 1.075 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000422836946 447764524 /nfs/dbraw/zinc/76/45/24/447764524.db2.gz LBHIDGNJZHHSCU-OAHLLOKOSA-N 3 0 326.529 1.720 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CO)Cc2ccccc2)CC[NH2+]CC1 ZINC000422767331 447744090 /nfs/dbraw/zinc/74/40/90/447744090.db2.gz RXUUUGAKJMZOLM-AEFFLSMTSA-N 2 0 348.487 1.749 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000422915949 447772163 /nfs/dbraw/zinc/77/21/63/447772163.db2.gz ZLJMRAHZTFIOHA-LSDHHAIUSA-N 2 0 339.505 1.696 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+]C3CCC([NH3+])CC3)C2=O)c1 ZINC000422921047 447773740 /nfs/dbraw/zinc/77/37/40/447773740.db2.gz ONRQJNNMGSHLPF-QWQCLYJRSA-N 2 0 333.432 1.669 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422933171 447775692 /nfs/dbraw/zinc/77/56/92/447775692.db2.gz HIPYOSZTXFLXPV-UHFFFAOYSA-N 2 0 325.478 1.380 20 0 EDADRP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422952384 447779483 /nfs/dbraw/zinc/77/94/83/447779483.db2.gz AXFOBNSONILMRP-GUDVDZBRSA-N 2 0 348.535 1.441 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000422973951 447785505 /nfs/dbraw/zinc/78/55/05/447785505.db2.gz CZNUMNMQQNYHPV-GBESFXJTSA-N 2 0 335.492 1.213 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CC[NH+](C(C)C)CC2)CC[NH2+]CC1 ZINC000422999689 447789739 /nfs/dbraw/zinc/78/97/39/447789739.db2.gz YFZHCGLLZMWPHV-OAHLLOKOSA-N 3 0 325.497 1.770 20 0 EDADRP CC(C)(C)OC(=O)NC1CC([NH2+]CCCC[NH+]2CCOCC2)C1 ZINC000496504742 447794045 /nfs/dbraw/zinc/79/40/45/447794045.db2.gz KIGWRIIVBUAVIU-UHFFFAOYSA-N 2 0 327.469 1.744 20 0 EDADRP O=S(=O)(NCCC[NH2+]C1CC[NH2+]CC1)c1ccccc1Cl ZINC000423096158 447804170 /nfs/dbraw/zinc/80/41/70/447804170.db2.gz HAJLCGZZLDGSMT-UHFFFAOYSA-N 2 0 331.869 1.350 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423099805 447804646 /nfs/dbraw/zinc/80/46/46/447804646.db2.gz BAHKPLXHUHTOJZ-NEPJUHHUSA-N 2 0 333.885 1.642 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000471635470 447806161 /nfs/dbraw/zinc/80/61/61/447806161.db2.gz KDDFKXUXTUSASG-DLBZAZTESA-N 2 0 334.464 1.309 20 0 EDADRP CC(C)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C(F)(F)F ZINC000530346680 447865883 /nfs/dbraw/zinc/86/58/83/447865883.db2.gz GLGCTABDFPKXKS-LBPRGKRZSA-N 2 0 326.407 1.708 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@@H+]1C ZINC000569741159 447881509 /nfs/dbraw/zinc/88/15/09/447881509.db2.gz ZLEUIUKLCWSQGU-BMFZPTHFSA-N 2 0 325.522 1.803 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cc2ccccc2c(=O)[nH]1 ZINC000569793775 447891007 /nfs/dbraw/zinc/89/10/07/447891007.db2.gz NGVXPTSWYCDNMG-UHFFFAOYSA-N 2 0 344.459 1.435 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000490270124 447891790 /nfs/dbraw/zinc/89/17/90/447891790.db2.gz IXALRHLXBPDCLZ-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)CCOc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000575981762 447942070 /nfs/dbraw/zinc/94/20/70/447942070.db2.gz XZMLTHNSQBSSPC-LJQANCHMSA-N 2 0 349.519 1.809 20 0 EDADRP Cn1ccnc1[C@H]1[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC(=O)N1C ZINC000552318117 447944294 /nfs/dbraw/zinc/94/42/94/447944294.db2.gz QJWVPMCOUVFVHQ-IMSKVBIZSA-N 2 0 345.491 1.402 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnc4ccccn34)C2)CC1 ZINC000552325947 447944365 /nfs/dbraw/zinc/94/43/65/447944365.db2.gz DOUXTRGIJBDTTJ-QGZVFWFLSA-N 2 0 327.476 1.935 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCc1cccc(F)c1 ZINC000524921627 447959895 /nfs/dbraw/zinc/95/98/95/447959895.db2.gz IEOQBNOFMNDKBZ-UHFFFAOYSA-N 2 0 338.471 1.893 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000570382555 447998140 /nfs/dbraw/zinc/99/81/40/447998140.db2.gz PAWKPXRSRAXVEA-YJBOKZPZSA-N 2 0 328.460 1.868 20 0 EDADRP OC[C@@H](O)C[N@H+](CCC(F)(F)F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000570403359 448004447 /nfs/dbraw/zinc/00/44/47/448004447.db2.gz SYBANDPBOLIQNO-HNNXBMFYSA-N 2 0 332.366 1.440 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000497255089 448009642 /nfs/dbraw/zinc/00/96/42/448009642.db2.gz WCDFADFJINIRTH-GJZGRUSLSA-N 2 0 329.485 1.536 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@@H+]3CC[C@@H](C)C3)cc2)CC1 ZINC000531058204 448010821 /nfs/dbraw/zinc/01/08/21/448010821.db2.gz YJAMDTBJDJBUKO-QGZVFWFLSA-N 2 0 344.503 1.900 20 0 EDADRP COCC1(C[NH2+]C2CCN(C(=O)OCC(C)C)CC2)CC[NH2+]CC1 ZINC000497298542 448052122 /nfs/dbraw/zinc/05/21/22/448052122.db2.gz NNGJMPLRJCIEOH-UHFFFAOYSA-N 2 0 341.496 1.849 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000501768963 448097964 /nfs/dbraw/zinc/09/79/64/448097964.db2.gz FZPUZFPTSQCTQE-YHUYYLMFSA-N 2 0 326.485 1.076 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000571637275 448184004 /nfs/dbraw/zinc/18/40/04/448184004.db2.gz CIEVNNJAGLTXTQ-ROUUACIJSA-N 2 0 330.476 1.233 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000577045575 448198845 /nfs/dbraw/zinc/19/88/45/448198845.db2.gz XFJIFMHLIWXHKE-UHFFFAOYSA-N 3 0 335.496 1.753 20 0 EDADRP C[C@@H]1C[C@@H](NCc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000532209516 448216212 /nfs/dbraw/zinc/21/62/12/448216212.db2.gz MVNYRWOTJWRMDD-QAPCUYQASA-N 2 0 331.460 1.731 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000515113780 448260486 /nfs/dbraw/zinc/26/04/86/448260486.db2.gz DTRMUNFOFZSUTB-YLJYHZDGSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515483326 448320059 /nfs/dbraw/zinc/32/00/59/448320059.db2.gz NBBBNKLFNINFST-NVXWUHKLSA-N 3 0 338.540 1.591 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577392033 448285813 /nfs/dbraw/zinc/28/58/13/448285813.db2.gz IBXXIUSTMOJFLB-AEFFLSMTSA-N 2 0 346.475 1.365 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCNc1cnccn1 ZINC000564824571 448340973 /nfs/dbraw/zinc/34/09/73/448340973.db2.gz KDSQFZVJBCALKX-CRAIPNDOSA-N 2 0 325.416 1.734 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000533000714 448342248 /nfs/dbraw/zinc/34/22/48/448342248.db2.gz ANCYQMFPDUWHBL-UHFFFAOYSA-N 2 0 331.526 1.466 20 0 EDADRP O=C(NCCN1C[C@H]2CC[C@@H](C1)O2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577625477 448344921 /nfs/dbraw/zinc/34/49/21/448344921.db2.gz JYZHAFGPDAVBEE-GBESFXJTSA-N 2 0 343.471 1.488 20 0 EDADRP CO[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000515832406 448353894 /nfs/dbraw/zinc/35/38/94/448353894.db2.gz VAOYHXMOZIWACZ-SJORKVTESA-N 2 0 341.883 1.225 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000577712888 448364529 /nfs/dbraw/zinc/36/45/29/448364529.db2.gz UDHWPNITPCRXID-INIZCTEOSA-N 2 0 346.475 1.711 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572263244 448331435 /nfs/dbraw/zinc/33/14/35/448331435.db2.gz RZLYAGOPKZFKGQ-PKOBYXMFSA-N 2 0 328.460 1.659 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000583020240 448403521 /nfs/dbraw/zinc/40/35/21/448403521.db2.gz ZUPNYAWSWFUJCE-IBGZPJMESA-N 2 0 349.519 1.659 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000582900098 448372932 /nfs/dbraw/zinc/37/29/32/448372932.db2.gz CNYAERJKEQGPIR-HJOIGYKYSA-N 2 0 326.481 1.792 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CSC)CC1 ZINC000572631472 448426843 /nfs/dbraw/zinc/42/68/43/448426843.db2.gz UCUVDZYJLKPMTI-GOSISDBHSA-N 2 0 337.533 1.638 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024232 448443077 /nfs/dbraw/zinc/44/30/77/448443077.db2.gz RHQDGNVETHUMRW-HKUYNNGSSA-N 2 0 344.503 1.261 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cccc(C(=O)NC[C@H]3CCCO3)c2)C1 ZINC000566482869 448488737 /nfs/dbraw/zinc/48/87/37/448488737.db2.gz QYCKURHHHSJRLI-FGTMMUONSA-N 2 0 331.460 1.955 20 0 EDADRP C[C@@H](NC(=O)C1([NH3+])CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000584347921 448492955 /nfs/dbraw/zinc/49/29/55/448492955.db2.gz OHHPFOOPNUDKCZ-CYBMUJFWSA-N 2 0 334.439 1.636 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000516920957 448496585 /nfs/dbraw/zinc/49/65/85/448496585.db2.gz GNGJXLYAOMKWSN-ORQFMDKSSA-N 2 0 333.480 1.386 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000516968922 448512070 /nfs/dbraw/zinc/51/20/70/448512070.db2.gz GRNYYZSVGUECAT-GOEBONIOSA-N 2 0 327.513 1.562 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)c2)CC1 ZINC000578331568 448519686 /nfs/dbraw/zinc/51/96/86/448519686.db2.gz CBXOHFRJMDLQGU-MAUKXSAKSA-N 2 0 345.491 1.948 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000566627617 448526194 /nfs/dbraw/zinc/52/61/94/448526194.db2.gz GQKMKOFOLKMMAM-YESZJQIVSA-N 2 0 333.863 1.950 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000517235031 448558862 /nfs/dbraw/zinc/55/88/62/448558862.db2.gz BNDJYCUTTTWNFZ-UCMJJCQDSA-N 2 0 333.476 1.038 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)ccc1F ZINC000578505552 448564511 /nfs/dbraw/zinc/56/45/11/448564511.db2.gz OFJGIUKRJRCTGY-HNNXBMFYSA-N 2 0 338.427 1.065 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Cc1ccc(F)cc1C ZINC000566855553 448572984 /nfs/dbraw/zinc/57/29/84/448572984.db2.gz SFLNCHGYAUNFGD-QILLFSRXSA-N 2 0 335.467 1.969 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000584518163 448554012 /nfs/dbraw/zinc/55/40/12/448554012.db2.gz UNFIGNXDPAXZHN-JKSUJKDBSA-N 2 0 342.447 1.322 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000573275607 448584996 /nfs/dbraw/zinc/58/49/96/448584996.db2.gz VQCKNBYJPGXBPV-KSTDHSDQSA-N 2 0 336.480 1.751 20 0 EDADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000578642561 448602127 /nfs/dbraw/zinc/60/21/27/448602127.db2.gz QOANNGOWCFEVMD-KSSFIOAISA-N 2 0 332.444 1.869 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N1CC[NH+](C2CCC2)CC1 ZINC000528717670 448643702 /nfs/dbraw/zinc/64/37/02/448643702.db2.gz FNJASFQMTTUFFI-UHFFFAOYSA-N 2 0 330.432 1.871 20 0 EDADRP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000518164224 448649398 /nfs/dbraw/zinc/64/93/98/448649398.db2.gz CFQSZTJDWGFSHR-LBPRGKRZSA-N 2 0 329.366 1.658 20 0 EDADRP COC(=O)CC[N@H+](C[C@@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000573556168 448657466 /nfs/dbraw/zinc/65/74/66/448657466.db2.gz LBZCJFNURNOXPS-NVXWUHKLSA-N 2 0 338.423 1.912 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000573583108 448665130 /nfs/dbraw/zinc/66/51/30/448665130.db2.gz JTNGSYLDNXPELI-HNNXBMFYSA-N 2 0 326.485 1.032 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3ccccc3)CCCC2)CC1 ZINC000518932494 448722977 /nfs/dbraw/zinc/72/29/77/448722977.db2.gz PFOVDPQHVOAXQT-LJQANCHMSA-N 2 0 331.504 1.696 20 0 EDADRP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579100543 448714188 /nfs/dbraw/zinc/71/41/88/448714188.db2.gz FFUYGJSVLCJSQB-QAPCUYQASA-N 2 0 337.508 1.745 20 0 EDADRP [NH3+]CCCn1cc(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000573958344 448757879 /nfs/dbraw/zinc/75/78/79/448757879.db2.gz DLQCONXARLDUOD-UHFFFAOYSA-N 2 0 342.447 1.021 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)CCCC[NH3+])c2)C1 ZINC000579349620 448773961 /nfs/dbraw/zinc/77/39/61/448773961.db2.gz RGMGHQFZLUXWLF-QGZVFWFLSA-N 2 0 346.475 1.129 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000574058177 448783416 /nfs/dbraw/zinc/78/34/16/448783416.db2.gz HPIVALRBTDVLLZ-MAUKXSAKSA-N 2 0 346.475 1.111 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529334230 448829859 /nfs/dbraw/zinc/82/98/59/448829859.db2.gz RXRZXHCSCFIDNR-OAHLLOKOSA-N 2 0 326.485 1.256 20 0 EDADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000529372525 448846095 /nfs/dbraw/zinc/84/60/95/448846095.db2.gz CYTNFYATZFXLQT-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592450721 448844736 /nfs/dbraw/zinc/84/47/36/448844736.db2.gz WNJHOLJLCUIFMR-IUODEOHRSA-N 2 0 343.431 1.158 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000529380604 448850545 /nfs/dbraw/zinc/85/05/45/448850545.db2.gz PAMVGTSTCZEQJI-SJORKVTESA-N 2 0 338.496 1.272 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691609 448854188 /nfs/dbraw/zinc/85/41/88/448854188.db2.gz UXJCTXBCDHRXMI-KRWDZBQOSA-N 3 0 339.528 1.044 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000592557938 448900180 /nfs/dbraw/zinc/90/01/80/448900180.db2.gz SLYSWZIKGAHVLH-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592562399 448901755 /nfs/dbraw/zinc/90/17/55/448901755.db2.gz GYTLMABRBQZUGE-LSDHHAIUSA-N 2 0 333.480 1.569 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000574619941 448916801 /nfs/dbraw/zinc/91/68/01/448916801.db2.gz RDHMDWXODSVLPH-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn(Cc2ccccc2)n1 ZINC000548186470 449000023 /nfs/dbraw/zinc/00/00/23/449000023.db2.gz XMJQSKPVHZYUHK-UHFFFAOYSA-N 2 0 343.475 1.497 20 0 EDADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000582058585 449000419 /nfs/dbraw/zinc/00/04/19/449000419.db2.gz NQHDTBGMMVILTP-YOEHRIQHSA-N 2 0 348.443 1.453 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC000529909393 449001697 /nfs/dbraw/zinc/00/16/97/449001697.db2.gz UFHNXNCYTJYDNR-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569337837 449005987 /nfs/dbraw/zinc/00/59/87/449005987.db2.gz WUBYHYIXMDRNNC-AYBZRNKSSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH2+]C[C@](C)(O)C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000582127568 449018769 /nfs/dbraw/zinc/01/87/69/449018769.db2.gz ZOHBTKXIYFJVTD-APWZRJJASA-N 2 0 348.491 1.799 20 0 EDADRP CC[NH2+]CCCNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000569457797 449029099 /nfs/dbraw/zinc/02/90/99/449029099.db2.gz ZUHZZYNDXYVBSJ-UHFFFAOYSA-N 2 0 347.507 1.103 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592955746 449076967 /nfs/dbraw/zinc/07/69/67/449076967.db2.gz OUWMIWSQPJEBAA-AWEZNQCLSA-N 2 0 341.459 1.711 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956833 449078673 /nfs/dbraw/zinc/07/86/73/449078673.db2.gz ZPQBCXQLRFMNKN-NVXWUHKLSA-N 2 0 341.459 1.752 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3CC[NH+](C4CCCC4)CC3)c21 ZINC000592957637 449079197 /nfs/dbraw/zinc/07/91/97/449079197.db2.gz UVSXRHDUZXFCTQ-AWEZNQCLSA-N 2 0 345.491 1.856 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCCN(Cc2cscn2)CC1 ZINC000521997320 449037692 /nfs/dbraw/zinc/03/76/92/449037692.db2.gz HCYDBRZVXJBATH-ZDUSSCGKSA-N 2 0 340.518 1.273 20 0 EDADRP CC[C@@H]1CN(CCNC(=O)NC2CC[NH+](C3CCC3)CC2)CCO1 ZINC000575146434 449049121 /nfs/dbraw/zinc/04/91/21/449049121.db2.gz AMJCQAYETWPWPR-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000592961322 449084749 /nfs/dbraw/zinc/08/47/49/449084749.db2.gz UYNZCNDEXLZAFO-CVEARBPZSA-N 2 0 327.538 1.910 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@@H](C[NH+]4CCCC4)C3)c21 ZINC000592964870 449088101 /nfs/dbraw/zinc/08/81/01/449088101.db2.gz OKJVZXJRZZBNBN-LSDHHAIUSA-N 2 0 331.464 1.277 20 0 EDADRP c1ncn(-c2ccc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000530247678 449093475 /nfs/dbraw/zinc/09/34/75/449093475.db2.gz BTEKDZFOGFJHQX-LJQANCHMSA-N 2 0 341.459 1.858 20 0 EDADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(=O)n(C)c(=O)n1C ZINC000589999497 449093754 /nfs/dbraw/zinc/09/37/54/449093754.db2.gz MPCLRZLDCKOBSQ-UHFFFAOYSA-N 2 0 344.459 1.168 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000590786576 449294711 /nfs/dbraw/zinc/29/47/11/449294711.db2.gz GJMYZQGPOPKDTI-HZPDHXFCSA-N 2 0 325.497 1.674 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000602097881 449342801 /nfs/dbraw/zinc/34/28/01/449342801.db2.gz PQYCOTHVNSXMQD-KRWDZBQOSA-N 2 0 334.508 1.101 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000611654724 449372944 /nfs/dbraw/zinc/37/29/44/449372944.db2.gz CIQOERLBJXMVEQ-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CC[N@@H+]3C(C)(C)C)n2)CC1 ZINC000617010388 449428578 /nfs/dbraw/zinc/42/85/78/449428578.db2.gz OHLBKYBWNJZROV-OAHLLOKOSA-N 2 0 345.491 1.436 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC000606360421 449453717 /nfs/dbraw/zinc/45/37/17/449453717.db2.gz PYRUQQHIDKBUSB-KSZLIROESA-N 2 0 336.524 1.488 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617113654 449465172 /nfs/dbraw/zinc/46/51/72/449465172.db2.gz PFVONDLHUIKPAE-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(CNC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)[nH]n1 ZINC000606499577 449479437 /nfs/dbraw/zinc/47/94/37/449479437.db2.gz BJBYVOIXVZZBMZ-UHFFFAOYSA-N 2 0 334.468 1.076 20 0 EDADRP CN(C)c1ncnc2c1cc(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)n2C ZINC000617346067 449568361 /nfs/dbraw/zinc/56/83/61/449568361.db2.gz NKIUKXQBXZOBPQ-LBPRGKRZSA-N 2 0 344.463 1.637 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCn1cnc2ccccc21 ZINC000607243351 449589838 /nfs/dbraw/zinc/58/98/38/449589838.db2.gz SMSUTBKIWVWSIQ-UHFFFAOYSA-N 2 0 346.479 1.171 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506812 449657232 /nfs/dbraw/zinc/65/72/32/449657232.db2.gz IYEVXASGZMLGGB-AEFFLSMTSA-N 2 0 334.508 1.147 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)on1 ZINC000602540613 449661669 /nfs/dbraw/zinc/66/16/69/449661669.db2.gz LLFKXYTUIWJHPW-CQSZACIVSA-N 2 0 338.452 1.215 20 0 EDADRP CCOC(=O)C1(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CCCC1 ZINC000602605174 449701134 /nfs/dbraw/zinc/70/11/34/449701134.db2.gz YVSDCLCTTAHJAT-UHFFFAOYSA-N 2 0 346.431 1.553 20 0 EDADRP CSC1(C[NH2+]Cc2ccc(S(N)(=O)=O)s2)CC[NH+](C)CC1 ZINC000602665847 449738707 /nfs/dbraw/zinc/73/87/07/449738707.db2.gz DDMDSSVWSZZJSY-UHFFFAOYSA-N 2 0 349.547 1.313 20 0 EDADRP CN(C)c1ccc(CNC(=O)[C@H]2CCCN2Cc2ccccn2)cn1 ZINC000608009355 449722183 /nfs/dbraw/zinc/72/21/83/449722183.db2.gz OWEYFEUJFDMQHR-QGZVFWFLSA-N 2 0 339.443 1.823 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617698908 449743089 /nfs/dbraw/zinc/74/30/89/449743089.db2.gz AOEFHMRCHNKLJF-RTBURBONSA-N 2 0 345.487 1.744 20 0 EDADRP C[NH+](C)CCCNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000601208078 449751599 /nfs/dbraw/zinc/75/15/99/449751599.db2.gz BWKNWCXQCZISCX-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875140 449790672 /nfs/dbraw/zinc/79/06/72/449790672.db2.gz XHYDSVMAAUTUMB-LSDHHAIUSA-N 2 0 341.377 1.882 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000615089864 449951008 /nfs/dbraw/zinc/95/10/08/449951008.db2.gz OATIMCCCOKMYJA-HUUCEWRRSA-N 2 0 325.497 1.865 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)N[C@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612877517 449922737 /nfs/dbraw/zinc/92/27/37/449922737.db2.gz YHGWJLKKIQCPHA-PKOBYXMFSA-N 2 0 345.491 1.026 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](SC)[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000601436938 449959175 /nfs/dbraw/zinc/95/91/75/449959175.db2.gz MTDALZJEXJRBLD-FZKCQIBNSA-N 2 0 325.522 1.755 20 0 EDADRP CC(C)[C@H](C(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000617977401 449959552 /nfs/dbraw/zinc/95/95/52/449959552.db2.gz VRQBBAIMLMMRHN-GOSISDBHSA-N 2 0 332.492 1.996 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000612980526 449969488 /nfs/dbraw/zinc/96/94/88/449969488.db2.gz SGYYQMWJKMLARA-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)NC(=O)NC(C)(C)C ZINC000603109450 450072633 /nfs/dbraw/zinc/07/26/33/450072633.db2.gz BHIDVGYGUZFFOK-UHFFFAOYSA-N 2 0 326.485 1.809 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000615273787 450038753 /nfs/dbraw/zinc/03/87/53/450038753.db2.gz FUSOMQJKZZHLNC-MSOLQXFVSA-N 2 0 335.492 1.573 20 0 EDADRP CC(=O)c1nc(CC[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)[nH]c1C ZINC000595341333 450054596 /nfs/dbraw/zinc/05/45/96/450054596.db2.gz VTFQHJYBNOJAON-QGZVFWFLSA-N 2 0 347.507 1.564 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615309054 450056717 /nfs/dbraw/zinc/05/67/17/450056717.db2.gz PJILHKKDAMHOCQ-HHXXYDBFSA-N 2 0 331.460 1.174 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000615705103 450205206 /nfs/dbraw/zinc/20/52/06/450205206.db2.gz GXTZYSGYGCDLBS-UHFFFAOYSA-N 2 0 343.475 1.788 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616781863 450483548 /nfs/dbraw/zinc/48/35/48/450483548.db2.gz XXWKBVIDGFMJNJ-HZPDHXFCSA-N 2 0 340.512 1.210 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000623342467 450501324 /nfs/dbraw/zinc/50/13/24/450501324.db2.gz BIQHXRBHLPHLOD-AWEZNQCLSA-N 2 0 336.480 1.704 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CCO1 ZINC000620972214 450567436 /nfs/dbraw/zinc/56/74/36/450567436.db2.gz YVMOGMWHCOBGFL-HNNXBMFYSA-N 2 0 339.505 1.993 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000621099705 450580613 /nfs/dbraw/zinc/58/06/13/450580613.db2.gz ZRWBNXBDJARPMV-MRXNPFEDSA-N 2 0 333.480 1.297 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)CC(C)C ZINC000627325140 450650035 /nfs/dbraw/zinc/65/00/35/450650035.db2.gz ZIHCDWWVJXFMQD-XHSDSOJGSA-N 2 0 340.512 1.116 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)c1cccs1 ZINC000635108290 450655303 /nfs/dbraw/zinc/65/53/03/450655303.db2.gz KYCYKPXTLVGWID-CQSZACIVSA-N 2 0 339.505 1.825 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C[NH2+]1 ZINC000627303620 450633846 /nfs/dbraw/zinc/63/38/46/450633846.db2.gz XPQWLFWKSCSYFB-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)C[C@@H]1C ZINC000633095502 450680780 /nfs/dbraw/zinc/68/07/80/450680780.db2.gz UMRBOCORMGQZKY-JYJNAYRXSA-N 2 0 338.496 1.048 20 0 EDADRP Nc1nc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)nc(N)[nH+]1 ZINC000624041919 450682304 /nfs/dbraw/zinc/68/23/04/450682304.db2.gz MOODHGHFHZHOBB-LSDHHAIUSA-N 2 0 339.447 1.188 20 0 EDADRP C[NH+](C)CC1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000635138734 450684619 /nfs/dbraw/zinc/68/46/19/450684619.db2.gz JYAGQQGPDDGCIA-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP CCOc1cncc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c1 ZINC000621329044 450687468 /nfs/dbraw/zinc/68/74/68/450687468.db2.gz NEUZRVXYUKQIOB-UHFFFAOYSA-N 2 0 341.459 1.917 20 0 EDADRP CCO[C@H](C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000629542233 450726839 /nfs/dbraw/zinc/72/68/39/450726839.db2.gz CFGZJWGWYXFBTL-GVDBMIGSSA-N 2 0 336.480 1.022 20 0 EDADRP c1cc(CN2CCO[C@H](C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)ccn1 ZINC000629549811 450730156 /nfs/dbraw/zinc/73/01/56/450730156.db2.gz IJPQMEFFDZJTOW-NCXUSEDFSA-N 2 0 330.476 1.260 20 0 EDADRP COc1ccc([C@@H]2CC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000629588489 450751556 /nfs/dbraw/zinc/75/15/56/450751556.db2.gz IPIITROOQAHWST-OAHLLOKOSA-N 2 0 335.423 1.446 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(F)cc2F)CC1 ZINC000629610936 450762446 /nfs/dbraw/zinc/76/24/46/450762446.db2.gz QPDVYLYHAPGXLS-UKPHBRMFSA-N 2 0 325.403 1.019 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000629615266 450762536 /nfs/dbraw/zinc/76/25/36/450762536.db2.gz TZYWMZNZOAXMEG-GFCCVEGCSA-N 2 0 337.411 1.465 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCOCC[NH3+])CC1 ZINC000629662300 450774442 /nfs/dbraw/zinc/77/44/42/450774442.db2.gz DPTIRRONVIBDPL-UHFFFAOYSA-N 3 0 334.508 1.626 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)ccc21 ZINC000621684490 450832130 /nfs/dbraw/zinc/83/21/30/450832130.db2.gz NFCVDCDQCAMMDZ-APWZRJJASA-N 2 0 326.444 1.944 20 0 EDADRP CC(=O)N1CC[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000621751521 450857756 /nfs/dbraw/zinc/85/77/56/450857756.db2.gz IIKIGGXBDSRSRP-MAUKXSAKSA-N 2 0 330.476 1.710 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)C[C@H]21 ZINC000627651215 450867895 /nfs/dbraw/zinc/86/78/95/450867895.db2.gz JLGHQTOXBBPKGL-BWTSREIZSA-N 2 0 342.487 1.066 20 0 EDADRP Cc1ccc2ccccc2c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000631941382 450899253 /nfs/dbraw/zinc/89/92/53/450899253.db2.gz VZRZPFJKCVVJCI-UHFFFAOYSA-N 2 0 335.473 1.837 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000626921579 451005271 /nfs/dbraw/zinc/00/52/71/451005271.db2.gz DERREWOHMNXKFL-DLBZAZTESA-N 2 0 334.464 1.139 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000626943046 451022281 /nfs/dbraw/zinc/02/22/81/451022281.db2.gz BKBCSJPAUSBRHF-MRXNPFEDSA-N 2 0 340.443 1.306 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122424 451052435 /nfs/dbraw/zinc/05/24/35/451052435.db2.gz UVLSDJATICFNFT-HOTGVXAUSA-N 2 0 329.510 1.218 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C[NH+](C)CC(C)(C)C ZINC000635559890 451057540 /nfs/dbraw/zinc/05/75/40/451057540.db2.gz JCUCNKSPTBGYTL-UHFFFAOYSA-N 2 0 326.529 1.449 20 0 EDADRP C[C@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011874 451075386 /nfs/dbraw/zinc/07/53/86/451075386.db2.gz LWLTXRCISBVXJD-GJZGRUSLSA-N 2 0 338.496 1.447 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000627011741 451075511 /nfs/dbraw/zinc/07/55/11/451075511.db2.gz IXDZQBNEWWWNNG-FPMFFAJLSA-N 2 0 348.413 1.806 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627013174 451077633 /nfs/dbraw/zinc/07/76/33/451077633.db2.gz LSLVOQVYRXTXDS-XYVMCAHJSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627092612 451121230 /nfs/dbraw/zinc/12/12/30/451121230.db2.gz CNAXZAKXYNRNJH-GOEBONIOSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NS(=O)(=O)CCC[NH+](C)C ZINC000632216869 451121784 /nfs/dbraw/zinc/12/17/84/451121784.db2.gz OEYPZRATDOADKU-NVXWUHKLSA-N 2 0 339.505 1.378 20 0 EDADRP CN(C(=O)N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627130251 451140670 /nfs/dbraw/zinc/14/06/70/451140670.db2.gz OTRXNAQAWLMCIP-IRXDYDNUSA-N 2 0 349.523 1.081 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198492 451181832 /nfs/dbraw/zinc/18/18/32/451181832.db2.gz LODNXBISPMXTTL-IXDOHACOSA-N 3 0 339.528 1.184 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC(C)(C)C ZINC000635704384 451184942 /nfs/dbraw/zinc/18/49/42/451184942.db2.gz HTUKEMWVYWJNMW-SJORKVTESA-N 2 0 339.524 1.848 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)NCCOCCC[NH3+])c1ccc(Cl)cc1 ZINC000627217625 451192785 /nfs/dbraw/zinc/19/27/85/451192785.db2.gz FOOOVZXDYGZFDI-OAHLLOKOSA-N 2 0 342.871 1.607 20 0 EDADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C[C@H]3CC[N@H+](C)C3)nc2)C1 ZINC000635720826 451197047 /nfs/dbraw/zinc/19/70/47/451197047.db2.gz WMGWIBZBRVZALD-ZBFHGGJFSA-N 2 0 331.464 1.502 20 0 EDADRP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734532 451205896 /nfs/dbraw/zinc/20/58/96/451205896.db2.gz ONBYVTLZTCTBHU-BPQIPLTHSA-N 2 0 338.540 1.732 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@]2(C)CCCS2)(N2CCOCC2)CC1 ZINC000628310315 451214391 /nfs/dbraw/zinc/21/43/91/451214391.db2.gz XREFSXGSEOKZIH-MRXNPFEDSA-N 2 0 327.538 1.658 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000635745310 451214997 /nfs/dbraw/zinc/21/49/97/451214997.db2.gz WGIALBIOMQLTFM-MSOLQXFVSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC1 ZINC000635783588 451237495 /nfs/dbraw/zinc/23/74/95/451237495.db2.gz WWGPYBOCBFRYML-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000638082291 451245600 /nfs/dbraw/zinc/24/56/00/451245600.db2.gz GUULBUPPUSMGGJ-DAYGRLMNSA-N 2 0 333.476 1.802 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638084027 451247711 /nfs/dbraw/zinc/24/77/11/451247711.db2.gz MIHVZIAACRZHFV-MOPGFXCFSA-N 2 0 344.503 1.533 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000638084902 451249492 /nfs/dbraw/zinc/24/94/92/451249492.db2.gz HHRCGNSDKRZVMQ-PKOBYXMFSA-N 2 0 337.508 1.712 20 0 EDADRP C[NH+](C)CC1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CCCC1 ZINC000635800486 451250088 /nfs/dbraw/zinc/25/00/88/451250088.db2.gz YMCNMHVLJAFMEL-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634261222 451256389 /nfs/dbraw/zinc/25/63/89/451256389.db2.gz ZBYYJLBZFKDRPR-MJGOQNOKSA-N 2 0 346.475 1.065 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000638094298 451259034 /nfs/dbraw/zinc/25/90/34/451259034.db2.gz ZNMAHDAQLITBBX-DZGCQCFKSA-N 2 0 332.448 1.320 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638101933 451268790 /nfs/dbraw/zinc/26/87/90/451268790.db2.gz RCDSHRXJPOXVJQ-ZWKOTPCHSA-N 2 0 331.460 1.473 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CCCC[NH2+]1 ZINC000638108418 451277020 /nfs/dbraw/zinc/27/70/20/451277020.db2.gz MALGMHXBLUNIDE-SFHVURJKSA-N 2 0 341.496 1.151 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111253 451279735 /nfs/dbraw/zinc/27/97/35/451279735.db2.gz MSCNNZTYYJXMMI-MOPGFXCFSA-N 2 0 346.519 1.540 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000638130985 451301446 /nfs/dbraw/zinc/30/14/46/451301446.db2.gz NPMZLTACENKLHG-KPFFTGBYSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000638133591 451305275 /nfs/dbraw/zinc/30/52/75/451305275.db2.gz JDBZYRLBOLLEGM-LBTBCDHLSA-N 2 0 331.460 1.518 20 0 EDADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000638138579 451313712 /nfs/dbraw/zinc/31/37/12/451313712.db2.gz IBXVWDSMFUXGIP-LNLFQRSKSA-N 2 0 329.444 1.085 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638148846 451322793 /nfs/dbraw/zinc/32/27/93/451322793.db2.gz KNTSHJAPQXSMSX-NSHGMRRFSA-N 2 0 343.471 1.393 20 0 EDADRP C[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000638209991 451355793 /nfs/dbraw/zinc/35/57/93/451355793.db2.gz FBJRICGFZYFWNF-NUEKZKHPSA-N 2 0 344.484 1.822 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000638266746 451388012 /nfs/dbraw/zinc/38/80/12/451388012.db2.gz ROCYOLBDPIVIKB-CHWSQXEVSA-N 2 0 331.338 1.200 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)CN1CC[NH2+]CC1 ZINC000638277222 451397099 /nfs/dbraw/zinc/39/70/99/451397099.db2.gz SJLUGYICNPWAAV-UHFFFAOYSA-N 2 0 338.883 1.135 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)ccn1 ZINC000628749136 451397266 /nfs/dbraw/zinc/39/72/66/451397266.db2.gz LHKHDWJBEZAVKW-HNNXBMFYSA-N 2 0 334.464 1.484 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640557735 451403896 /nfs/dbraw/zinc/40/38/96/451403896.db2.gz KJRMVFSBJCUKCS-UHFFFAOYSA-N 2 0 335.452 1.376 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000638287306 451404949 /nfs/dbraw/zinc/40/49/49/451404949.db2.gz WOQLMFGJIWTQHS-BPQIPLTHSA-N 2 0 331.460 1.508 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638295704 451410963 /nfs/dbraw/zinc/41/09/63/451410963.db2.gz YJENDISHOWCVSA-NSHDSACASA-N 2 0 344.410 1.164 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cnn(CC[NH+](C)C)c1)c1ccccc1 ZINC000630851827 451438244 /nfs/dbraw/zinc/43/82/44/451438244.db2.gz DRUQVGJIYMKDKD-UHFFFAOYSA-N 2 0 329.448 1.653 20 0 EDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638333508 451438709 /nfs/dbraw/zinc/43/87/09/451438709.db2.gz RTYUYJXQJIHTQT-SNVBAGLBSA-N 2 0 344.410 1.243 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000638365617 451463134 /nfs/dbraw/zinc/46/31/34/451463134.db2.gz IXJBQLGAXRYXHR-PBHICJAKSA-N 2 0 331.460 1.556 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638367729 451464684 /nfs/dbraw/zinc/46/46/84/451464684.db2.gz GRGBRNOFSCAWJD-NWDGAFQWSA-N 2 0 333.436 1.159 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000638383680 451477183 /nfs/dbraw/zinc/47/71/83/451477183.db2.gz JAGUYJKXXVBMOW-LAQRGFTBSA-N 2 0 347.459 1.440 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638402854 451490626 /nfs/dbraw/zinc/49/06/26/451490626.db2.gz DFUVZRPTZROLPY-FXAWDEMLSA-N 2 0 345.487 1.721 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000638402398 451490849 /nfs/dbraw/zinc/49/08/49/451490849.db2.gz LTPSIAVKQLUAIQ-RDJZCZTQSA-N 2 0 333.476 1.802 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000638338748 451442640 /nfs/dbraw/zinc/44/26/40/451442640.db2.gz FRSUSVIBASQXNT-MRXNPFEDSA-N 2 0 348.491 1.673 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000638413457 451499315 /nfs/dbraw/zinc/49/93/15/451499315.db2.gz XHGAHZNFLHJRBC-MNEFBYGVSA-N 2 0 345.487 1.989 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000638421485 451505702 /nfs/dbraw/zinc/50/57/02/451505702.db2.gz WNXCSLVQSBMRIO-KRWDZBQOSA-N 2 0 340.471 1.505 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000638424872 451509065 /nfs/dbraw/zinc/50/90/65/451509065.db2.gz MOXPJEXWGYZSRO-WBVHZDCISA-N 2 0 333.432 1.065 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000638432796 451512243 /nfs/dbraw/zinc/51/22/43/451512243.db2.gz MSRLLQUUWLLCGM-IBGZPJMESA-N 2 0 345.487 1.803 20 0 EDADRP CCN1CCOC[C@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000636858274 451559687 /nfs/dbraw/zinc/55/96/87/451559687.db2.gz NROMYDQDDNZQOZ-IBGZPJMESA-N 2 0 345.487 1.830 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000638559333 451576814 /nfs/dbraw/zinc/57/68/14/451576814.db2.gz PWPCYIGPQQINOE-KWCYVHTRSA-N 2 0 347.356 1.854 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000638603388 451600598 /nfs/dbraw/zinc/60/05/98/451600598.db2.gz SAFQFCWBNWWDQR-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000638603101 451600707 /nfs/dbraw/zinc/60/07/07/451600707.db2.gz QUPNEPZSTAMQIZ-GOSISDBHSA-N 2 0 343.471 1.934 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000638602269 451601141 /nfs/dbraw/zinc/60/11/41/451601141.db2.gz MGZUHQKATQCNTM-SFHVURJKSA-N 2 0 343.471 1.587 20 0 EDADRP O=C1CC[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCN1 ZINC000634950353 451620289 /nfs/dbraw/zinc/62/02/89/451620289.db2.gz PPCLVMTZAZKLKG-SFHVURJKSA-N 2 0 330.476 1.063 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638636382 451623552 /nfs/dbraw/zinc/62/35/52/451623552.db2.gz AKNBEUUSXXVIGH-UHFFFAOYSA-N 2 0 341.540 1.701 20 0 EDADRP O=C1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCN1 ZINC000634967209 451627772 /nfs/dbraw/zinc/62/77/72/451627772.db2.gz IQWKOVGJIBKQTQ-KRWDZBQOSA-N 2 0 331.460 1.402 20 0 EDADRP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000634994409 451642149 /nfs/dbraw/zinc/64/21/49/451642149.db2.gz BSYNAXRPPRCUSX-IBGZPJMESA-N 2 0 337.471 1.810 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[C@]12CCCO2 ZINC000638670001 451642209 /nfs/dbraw/zinc/64/22/09/451642209.db2.gz YXKNTFSWFXJXJM-JCHJZTRSSA-N 2 0 338.492 1.804 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc3c(cn2)OCCO3)C[C@H](C)O1 ZINC000638681254 451649569 /nfs/dbraw/zinc/64/95/69/451649569.db2.gz KRVYLXXMJPRIMK-GASCZTMLSA-N 2 0 335.448 1.832 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000638845896 451708450 /nfs/dbraw/zinc/70/84/50/451708450.db2.gz XJGVRPMAOHPDQR-OAQYLSRUSA-N 2 0 335.451 1.880 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638857750 451713008 /nfs/dbraw/zinc/71/30/08/451713008.db2.gz YNOGWFACJBEVPW-KPFFTGBYSA-N 2 0 345.487 1.626 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000638728912 451668955 /nfs/dbraw/zinc/66/89/55/451668955.db2.gz NHSYAMSUMWLIPW-GOSISDBHSA-N 2 0 345.487 1.660 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000638976364 451744190 /nfs/dbraw/zinc/74/41/90/451744190.db2.gz XSDPBPQWMGLUEE-UHFFFAOYSA-N 2 0 333.480 1.295 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1 ZINC000638983827 451745850 /nfs/dbraw/zinc/74/58/50/451745850.db2.gz HGZYMRAXTWUMNS-INIZCTEOSA-N 3 0 343.406 1.311 20 0 EDADRP CC(C)c1cc(C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc(=O)[nH]1 ZINC000638983834 451745859 /nfs/dbraw/zinc/74/58/59/451745859.db2.gz HJTGESPSOYKVIP-UHFFFAOYSA-N 2 0 341.415 1.968 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985351 451746324 /nfs/dbraw/zinc/74/63/24/451746324.db2.gz FASNCZLTBJDAAG-QGZVFWFLSA-N 3 0 337.427 1.664 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)N1CCCC1=O ZINC000638988495 451748775 /nfs/dbraw/zinc/74/87/75/451748775.db2.gz YXCFHPBNMIEUHT-QGZVFWFLSA-N 2 0 345.447 1.077 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)cn1 ZINC000639028295 451754822 /nfs/dbraw/zinc/75/48/22/451754822.db2.gz YMJLHMZERLPTNC-AWEZNQCLSA-N 2 0 327.432 1.223 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCc2c(O)cccc2C1 ZINC000637263490 451773538 /nfs/dbraw/zinc/77/35/38/451773538.db2.gz GZMDBHLOZDXXGG-HNNXBMFYSA-N 2 0 348.491 1.732 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[NH2+]C1CC1 ZINC000637330054 451790922 /nfs/dbraw/zinc/79/09/22/451790922.db2.gz RXGCSTTZQRYAOI-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@]3(OC)CCOC3)CC2)CC1 ZINC000639277371 451803069 /nfs/dbraw/zinc/80/30/69/451803069.db2.gz VEADEXROUGMITK-SFHVURJKSA-N 2 0 325.497 1.284 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000642015722 451805967 /nfs/dbraw/zinc/80/59/67/451805967.db2.gz VBTNOERSUGWDSO-GOSISDBHSA-N 2 0 346.475 1.201 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000642030496 451808471 /nfs/dbraw/zinc/80/84/71/451808471.db2.gz QOKYTDWAHKCAAS-OBVSXPTNSA-N 2 0 334.508 1.796 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000642113222 451823444 /nfs/dbraw/zinc/82/34/44/451823444.db2.gz MHCYALXMNJVLTF-DOTOQJQBSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644521918 451837911 /nfs/dbraw/zinc/83/79/11/451837911.db2.gz CAOOYRWYVXFCPG-IAGOWNOFSA-N 2 0 328.497 1.787 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)nc2)CC1 ZINC000653346151 451857435 /nfs/dbraw/zinc/85/74/35/451857435.db2.gz KROJEMJBDPZFFR-HOTGVXAUSA-N 2 0 329.448 1.303 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562372 451862816 /nfs/dbraw/zinc/86/28/16/451862816.db2.gz LXVLRDNSONLRNN-QGZVFWFLSA-N 2 0 335.492 1.350 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000644562459 451863562 /nfs/dbraw/zinc/86/35/62/451863562.db2.gz SDCUEXWWOAMABC-HNNXBMFYSA-N 2 0 339.455 1.181 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000649278263 451949666 /nfs/dbraw/zinc/94/96/66/451949666.db2.gz WVXKQCSGUOAVOV-HUUCEWRRSA-N 2 0 325.403 1.520 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000642788925 451964988 /nfs/dbraw/zinc/96/49/88/451964988.db2.gz JFYPYSQHHDXRBM-IAGOWNOFSA-N 2 0 346.475 1.121 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)CN2CCCC[C@H]([NH3+])C2=O)c1 ZINC000649295364 451971361 /nfs/dbraw/zinc/97/13/61/451971361.db2.gz DKLSKQXKXGOIBA-KRWDZBQOSA-N 2 0 346.475 1.807 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC1(C)CCC1 ZINC000641434860 451973491 /nfs/dbraw/zinc/97/34/91/451973491.db2.gz XQTCYSUNPJBPCP-UHFFFAOYSA-N 2 0 331.526 1.464 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)[NH+](C)C)cc1 ZINC000649302975 451980199 /nfs/dbraw/zinc/98/01/99/451980199.db2.gz LWSQAGACZLZYQU-DOTOQJQBSA-N 2 0 342.447 1.154 20 0 EDADRP COCCN(C)C[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492964 451982133 /nfs/dbraw/zinc/98/21/33/451982133.db2.gz FLNUKVMOORFZDE-IBGZPJMESA-N 2 0 341.540 1.514 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000649308944 451987217 /nfs/dbraw/zinc/98/72/17/451987217.db2.gz JCWGREDGNGPANE-WMLDXEAASA-N 2 0 336.505 1.109 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1(C)C ZINC000649319363 451998589 /nfs/dbraw/zinc/99/85/89/451998589.db2.gz ZFCFCDFVMZPUDC-WMLDXEAASA-N 2 0 329.404 1.738 20 0 EDADRP Cc1ncc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000637666261 452007752 /nfs/dbraw/zinc/00/77/52/452007752.db2.gz QFQSELXHFFAJGE-GFCCVEGCSA-N 2 0 327.498 1.647 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682200 452020670 /nfs/dbraw/zinc/02/06/70/452020670.db2.gz MOCVLPMKXMEPTD-UHFFFAOYSA-N 2 0 349.442 1.812 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC[C@H]2CCC[NH+](C)[C@H]2c2cccs2)C1 ZINC000649341008 452021634 /nfs/dbraw/zinc/02/16/34/452021634.db2.gz HHGAMUDHJREITQ-FRFSOERESA-N 2 0 336.505 1.280 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])nc2)CC1 ZINC000649353549 452036966 /nfs/dbraw/zinc/03/69/66/452036966.db2.gz HBXKWFFGLOLYJP-YOEHRIQHSA-N 2 0 345.491 1.926 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000649357531 452038655 /nfs/dbraw/zinc/03/86/55/452038655.db2.gz PYZOJFBASOJAHI-AEFFLSMTSA-N 2 0 341.459 1.060 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649378553 452051919 /nfs/dbraw/zinc/05/19/19/452051919.db2.gz IVDZSPTXAQEDSU-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940550 452076507 /nfs/dbraw/zinc/07/65/07/452076507.db2.gz HPQYYMLQUICRAR-IPMKNSEASA-N 2 0 342.487 1.997 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)c(F)c1 ZINC000647213044 452127469 /nfs/dbraw/zinc/12/74/69/452127469.db2.gz JZTLMPMKNZEPLW-UHFFFAOYSA-N 2 0 343.468 1.829 20 0 EDADRP CC(C)C[N@H+](C)CCC[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000651865919 452129579 /nfs/dbraw/zinc/12/95/79/452129579.db2.gz MRLSGDOPGBGHHV-UHFFFAOYSA-N 2 0 340.556 1.351 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649561773 452144882 /nfs/dbraw/zinc/14/48/82/452144882.db2.gz IXVHSNGPJJAGAE-GOSISDBHSA-N 2 0 346.519 1.843 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645103814 452152814 /nfs/dbraw/zinc/15/28/14/452152814.db2.gz BGMNONNMLUHOTB-OALUTQOASA-N 2 0 327.472 1.979 20 0 EDADRP Cc1cncc(CCN(C)C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000649589153 452157309 /nfs/dbraw/zinc/15/73/09/452157309.db2.gz IYYLSKSMIYVLTB-HXUWFJFHSA-N 2 0 340.471 1.896 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000649661431 452186601 /nfs/dbraw/zinc/18/66/01/452186601.db2.gz CERPDKLZDHMZEV-YLJYHZDGSA-N 2 0 331.504 1.895 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641706471 452211710 /nfs/dbraw/zinc/21/17/10/452211710.db2.gz ACMRIDMPLWOYJL-UHFFFAOYSA-N 2 0 331.464 1.776 20 0 EDADRP COC1CCN(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000643460497 452233378 /nfs/dbraw/zinc/23/33/78/452233378.db2.gz ROJZCLNINKMPRR-QUCCMNQESA-N 2 0 345.487 1.943 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645249667 452235325 /nfs/dbraw/zinc/23/53/25/452235325.db2.gz FJSCACIUQHPISW-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657458674 452258503 /nfs/dbraw/zinc/25/85/03/452258503.db2.gz HRFGSTPXVQQDIC-CJNGLKHVSA-N 2 0 349.460 1.075 20 0 EDADRP C[NH+](C)CCOc1ccc(CN2CCN([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000647541641 452273706 /nfs/dbraw/zinc/27/37/06/452273706.db2.gz VZTXTBCYUQWHCJ-SFHVURJKSA-N 2 0 332.492 1.107 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1(C)C ZINC000641799466 452275362 /nfs/dbraw/zinc/27/53/62/452275362.db2.gz NWZZQXMEZUDUMN-HNNXBMFYSA-N 2 0 338.496 1.223 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641805448 452283515 /nfs/dbraw/zinc/28/35/15/452283515.db2.gz OESHCYCSWKPDDP-CABCVRRESA-N 2 0 341.477 1.031 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)N2CCOCC2)CC1 ZINC000638034122 452287986 /nfs/dbraw/zinc/28/79/86/452287986.db2.gz JIAZQQMPCSVHFT-GOSISDBHSA-N 2 0 338.540 1.199 20 0 EDADRP COCC1(C[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC[NH2+]CC1 ZINC000643530859 452293259 /nfs/dbraw/zinc/29/32/59/452293259.db2.gz FVZGAMHDRRWOHI-AWEZNQCLSA-N 2 0 330.436 1.329 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000659445238 452295832 /nfs/dbraw/zinc/29/58/32/452295832.db2.gz HABVRBSPFUPWLZ-KBRIMQKVSA-N 2 0 334.439 1.514 20 0 EDADRP CCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663578388 452299653 /nfs/dbraw/zinc/29/96/53/452299653.db2.gz AFUVDHJUEXUCOJ-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000661505295 452309194 /nfs/dbraw/zinc/30/91/94/452309194.db2.gz KXLAESLEKMBWPQ-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP COc1ccc([C@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000638048259 452315081 /nfs/dbraw/zinc/31/50/81/452315081.db2.gz CJKKDSYDUHAIOD-SFHVURJKSA-N 2 0 331.460 1.948 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000652124217 452319886 /nfs/dbraw/zinc/31/98/86/452319886.db2.gz TZSZSUQREGGZEE-GASCZTMLSA-N 2 0 326.485 1.175 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000659463602 452319838 /nfs/dbraw/zinc/31/98/38/452319838.db2.gz AVGGGZYNFPSWQT-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCCC2CC[NH2+]CC2)c1 ZINC000652125372 452322513 /nfs/dbraw/zinc/32/25/13/452322513.db2.gz QBUSGNAKWJCFSX-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP COc1cccc([C@@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000638051643 452324832 /nfs/dbraw/zinc/32/48/32/452324832.db2.gz NMVPKQKRBLCCJN-GOSISDBHSA-N 2 0 331.460 1.948 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)CCO)CC1 ZINC000649866057 452327065 /nfs/dbraw/zinc/32/70/65/452327065.db2.gz KOVDLJJRDPBULW-QGZVFWFLSA-N 2 0 347.503 1.778 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760744 452331082 /nfs/dbraw/zinc/33/10/82/452331082.db2.gz OKDVLGRTJYCHMJ-YESZJQIVSA-N 2 0 341.544 1.383 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652138696 452332623 /nfs/dbraw/zinc/33/26/23/452332623.db2.gz NCQASHQZHWPAKD-FIDHJVLJSA-N 2 0 340.512 1.358 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638053527 452333003 /nfs/dbraw/zinc/33/30/03/452333003.db2.gz BIXWLTQRVILYFZ-SFHVURJKSA-N 2 0 332.492 1.436 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652141242 452336240 /nfs/dbraw/zinc/33/62/40/452336240.db2.gz JVJMJOALTGWFJB-UGUYLWEFSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659481209 452341467 /nfs/dbraw/zinc/34/14/67/452341467.db2.gz GTDOWONPFFBHFL-JGWYNZBZSA-N 2 0 328.460 1.558 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657574079 452342030 /nfs/dbraw/zinc/34/20/30/452342030.db2.gz YZGVHQZGTOQMHM-INIZCTEOSA-N 3 0 330.480 1.629 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652151092 452345852 /nfs/dbraw/zinc/34/58/52/452345852.db2.gz IQAZLRIJLJBQJR-ULQDDVLXSA-N 2 0 340.512 1.646 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652163135 452357280 /nfs/dbraw/zinc/35/72/80/452357280.db2.gz ARSMWYZDWPVARI-BBWFWOEESA-N 2 0 340.512 1.646 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663624222 452358789 /nfs/dbraw/zinc/35/87/89/452358789.db2.gz MKPOQDXHRDGWLV-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CCC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657594604 452360340 /nfs/dbraw/zinc/36/03/40/452360340.db2.gz JAEUDTSYLNARIJ-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663625705 452362603 /nfs/dbraw/zinc/36/26/03/452362603.db2.gz VGQDEQPDRBGWHV-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638064707 452364065 /nfs/dbraw/zinc/36/40/65/452364065.db2.gz VWCNNAIXZKMETI-JCGIZDLHSA-N 2 0 331.460 1.651 20 0 EDADRP OCCO[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCOC1 ZINC000657598943 452371449 /nfs/dbraw/zinc/37/14/49/452371449.db2.gz WBCIRWPZVFZIBG-SFHVURJKSA-N 2 0 326.481 1.541 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H]1C[NH3+] ZINC000652178712 452373063 /nfs/dbraw/zinc/37/30/63/452373063.db2.gz VJEJHXFUBGEZFG-HUUCEWRRSA-N 2 0 326.485 1.114 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000659516515 452380083 /nfs/dbraw/zinc/38/00/83/452380083.db2.gz JFSREGHABPBTBF-KSZLIROESA-N 2 0 348.491 1.813 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000638073558 452384476 /nfs/dbraw/zinc/38/44/76/452384476.db2.gz FFYXMWAJQXWMHD-BZSNNMDCSA-N 2 0 330.476 1.189 20 0 EDADRP C[C@@]1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CCC[NH2+]C1 ZINC000659530667 452392567 /nfs/dbraw/zinc/39/25/67/452392567.db2.gz UKMJUBPEWJSHKT-ZHALLVOQSA-N 2 0 348.466 1.960 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535854 452395870 /nfs/dbraw/zinc/39/58/70/452395870.db2.gz LGJGJSCBZQILNH-QZTJIDSGSA-N 2 0 346.475 1.195 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659554439 452411295 /nfs/dbraw/zinc/41/12/95/452411295.db2.gz GVQOSKQEWCLJCH-RHQZKXFESA-N 2 0 342.487 1.819 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652224972 452417542 /nfs/dbraw/zinc/41/75/42/452417542.db2.gz MJLADDXBQZDYQN-RCCFBDPRSA-N 2 0 346.475 1.573 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@H]1C ZINC000659582174 452438049 /nfs/dbraw/zinc/43/80/49/452438049.db2.gz QFIFDXFTHFBKDB-WRFANHODSA-N 2 0 334.439 1.663 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000659587034 452442312 /nfs/dbraw/zinc/44/23/12/452442312.db2.gz MNGOTJNIAJFEGE-NJAFHUGGSA-N 2 0 346.475 1.534 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000659607904 452463249 /nfs/dbraw/zinc/46/32/49/452463249.db2.gz HKIXKYUDVJHMKM-SJLPKXTDSA-N 2 0 336.480 1.025 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616702 452475075 /nfs/dbraw/zinc/47/50/75/452475075.db2.gz IRQQHPLRORLFAM-UHFFFAOYSA-N 2 0 344.503 1.944 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC1CC[NH2+]CC1 ZINC000652313854 452488634 /nfs/dbraw/zinc/48/86/34/452488634.db2.gz LHEPVDTYQIWGIS-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000652317250 452489872 /nfs/dbraw/zinc/48/98/72/452489872.db2.gz LGADZPDSTMZZDU-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000654437742 452497187 /nfs/dbraw/zinc/49/71/87/452497187.db2.gz SRYLIKKQEGFLFQ-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)CC1 ZINC000647783724 452520623 /nfs/dbraw/zinc/52/06/23/452520623.db2.gz AYXKZVVXXNNBCD-BQJUDKOJSA-N 3 0 342.531 1.953 20 0 EDADRP Fc1ccc(N2CCN(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000647788688 452522503 /nfs/dbraw/zinc/52/25/03/452522503.db2.gz OPXJZWVGOSTFGU-ZHALLVOQSA-N 2 0 346.494 1.925 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798687 452532022 /nfs/dbraw/zinc/53/20/22/452532022.db2.gz VMWMPEMLFQDONF-OUCADQQQSA-N 2 0 340.265 1.589 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000654474276 452540224 /nfs/dbraw/zinc/54/02/24/452540224.db2.gz LIGDQXQYSMIGPN-WOVMCDHWSA-N 2 0 336.455 1.897 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361563 452541924 /nfs/dbraw/zinc/54/19/24/452541924.db2.gz KGQGEACELYOKCH-JQHSSLGASA-N 2 0 337.508 1.994 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(=O)n3ccccc3n2)C1 ZINC000652360874 452542493 /nfs/dbraw/zinc/54/24/93/452542493.db2.gz SMYFWMSUNNCHKN-PVAVHDDUSA-N 2 0 342.443 1.555 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C(C)C ZINC000652360187 452542576 /nfs/dbraw/zinc/54/25/76/452542576.db2.gz CGHMRMWXICGPSA-GVDBMIGSSA-N 2 0 325.497 1.993 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC2CC[NH+]([C@@H]3CCOC3)CC2)CCCO1 ZINC000655760072 452561557 /nfs/dbraw/zinc/56/15/57/452561557.db2.gz WVDFHNDVLKGOFT-SJLPKXTDSA-N 3 0 325.497 1.330 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC2CC[NH+]([C@H]3CCOC3)CC2)CCCO1 ZINC000655760070 452562706 /nfs/dbraw/zinc/56/27/06/452562706.db2.gz WVDFHNDVLKGOFT-AEFFLSMTSA-N 3 0 325.497 1.330 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655805753 452588746 /nfs/dbraw/zinc/58/87/46/452588746.db2.gz KUEQGUNCENODSA-KCQAQPDRSA-N 2 0 325.478 1.586 20 0 EDADRP COCCC[N@H+](CCCC1CC[NH2+]CC1)[C@H]1CCS(=O)(=O)C1 ZINC000647873534 452612361 /nfs/dbraw/zinc/61/23/61/452612361.db2.gz WXGINCLXFGONCA-INIZCTEOSA-N 2 0 332.510 1.292 20 0 EDADRP O=C1[C@@H](N2CCN(C[C@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884899 452622682 /nfs/dbraw/zinc/62/26/82/452622682.db2.gz HNZLRPPZAOTTHE-WMZOPIPTSA-N 2 0 328.460 1.019 20 0 EDADRP CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000661861288 452638143 /nfs/dbraw/zinc/63/81/43/452638143.db2.gz QGOZYOODKKQEAD-KZNAEPCWSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H](NC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000654561139 452646825 /nfs/dbraw/zinc/64/68/25/452646825.db2.gz CHNADIYYVHTXKH-OWLYRPNTSA-N 2 0 346.475 1.138 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2C[C@@H](C)OC[C@@H]2C)C1 ZINC000664002438 452704136 /nfs/dbraw/zinc/70/41/36/452704136.db2.gz GJIDXDIKQPDKDG-GVDBMIGSSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000652611126 452771859 /nfs/dbraw/zinc/77/18/59/452771859.db2.gz YNGUSUNTSLLAAH-OAHLLOKOSA-N 2 0 333.480 1.997 20 0 EDADRP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]3C[NH2+]CCO3)ccc21 ZINC000645810675 452811311 /nfs/dbraw/zinc/81/13/11/452811311.db2.gz SDTFOULXHVZLDU-SFHVURJKSA-N 2 0 344.459 1.910 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118706 452834998 /nfs/dbraw/zinc/83/49/98/452834998.db2.gz ZGTDKPFGCSJJFK-HRCADAONSA-N 2 0 345.491 1.279 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119193 452835016 /nfs/dbraw/zinc/83/50/16/452835016.db2.gz XUCNDPVHANLFBD-SOUVJXGZSA-N 2 0 348.516 1.989 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654734994 452859812 /nfs/dbraw/zinc/85/98/12/452859812.db2.gz OBZLTHSUDSFALB-YESZJQIVSA-N 2 0 338.496 1.149 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734992 452860744 /nfs/dbraw/zinc/86/07/44/452860744.db2.gz OBZLTHSUDSFALB-ULQDDVLXSA-N 2 0 338.496 1.149 20 0 EDADRP CS(=O)(=O)N1CCC([NH2+]CC2CC[NH+](CC3CC3)CC2)CC1 ZINC000658357314 452864387 /nfs/dbraw/zinc/86/43/87/452864387.db2.gz STRWDOIRYQGARH-UHFFFAOYSA-N 2 0 329.510 1.122 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(C)CC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000650607890 452878179 /nfs/dbraw/zinc/87/81/79/452878179.db2.gz HTFOGRIRLWKQQL-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[C@H]2C[NH3+])CCC[N@@H+]1C ZINC000648175936 452887835 /nfs/dbraw/zinc/88/78/35/452887835.db2.gz GMYPWRYTDBJOPV-QBYUYEEZSA-N 2 0 333.480 1.294 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654758956 452890333 /nfs/dbraw/zinc/89/03/33/452890333.db2.gz XTTZNXXVDLYBRV-QZTJIDSGSA-N 2 0 331.460 1.345 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS[C@H]1C ZINC000645915856 452897170 /nfs/dbraw/zinc/89/71/70/452897170.db2.gz HHVUFHIEWMEVHF-ARFHVFGLSA-N 2 0 342.553 1.938 20 0 EDADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000656153901 452908423 /nfs/dbraw/zinc/90/84/23/452908423.db2.gz NWPVKOSEFXPWSS-QLFBSQMISA-N 2 0 338.448 1.373 20 0 EDADRP COc1nc(NCCN(C)CCC[NH+](C)C)ncc1Br ZINC000664248259 452928184 /nfs/dbraw/zinc/92/81/84/452928184.db2.gz RKYAZLXQSXWAPW-UHFFFAOYSA-N 2 0 346.273 1.543 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652813423 452973281 /nfs/dbraw/zinc/97/32/81/452973281.db2.gz CPJAXHWXWWDDAD-CEXWTWQISA-N 2 0 343.471 1.583 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652814138 452973872 /nfs/dbraw/zinc/97/38/72/452973872.db2.gz RXWOHBOENKZNMH-RBUKOAKNSA-N 2 0 345.487 1.829 20 0 EDADRP O=C(c1cccc(F)c1)N1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250331 452976223 /nfs/dbraw/zinc/97/62/23/452976223.db2.gz FXJOXKQHMKEKLQ-QGZVFWFLSA-N 2 0 347.434 1.495 20 0 EDADRP c1cc(CN2CC[NH+](CC3CCOCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662265675 452996713 /nfs/dbraw/zinc/99/67/13/452996713.db2.gz YJTLTJBLONWAAP-UHFFFAOYSA-N 2 0 329.488 1.877 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666633517 453026827 /nfs/dbraw/zinc/02/68/27/453026827.db2.gz HCTLJBHYQYELAC-OAHLLOKOSA-N 2 0 346.475 1.855 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664910 453051433 /nfs/dbraw/zinc/05/14/33/453051433.db2.gz PRMNAZRKIIEUMC-INIZCTEOSA-N 2 0 331.464 1.622 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)nn1C ZINC000662336353 453052842 /nfs/dbraw/zinc/05/28/42/453052842.db2.gz CQETUFGWNVEJDQ-HNNXBMFYSA-N 2 0 343.479 1.241 20 0 EDADRP Nc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338251 453056575 /nfs/dbraw/zinc/05/65/75/453056575.db2.gz PJMGYHNRIXWQDC-MRXNPFEDSA-N 2 0 340.475 1.781 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)([NH+](C)C)C1 ZINC000666690753 453068149 /nfs/dbraw/zinc/06/81/49/453068149.db2.gz FYWJNWLVTRVYMQ-IFXJQAMLSA-N 2 0 346.475 1.711 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000654956258 453069268 /nfs/dbraw/zinc/06/92/68/453069268.db2.gz AKOQNSNNMKGASV-QZTJIDSGSA-N 2 0 335.492 1.309 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000662383724 453092538 /nfs/dbraw/zinc/09/25/38/453092538.db2.gz MQRPSSWURKWHGX-QZTJIDSGSA-N 2 0 332.492 1.479 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000658541372 453098951 /nfs/dbraw/zinc/09/89/51/453098951.db2.gz LTAZHSUUMXAVNU-QGZVFWFLSA-N 2 0 344.459 1.194 20 0 EDADRP Cc1cc(CNC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc(C)n1 ZINC000656340640 453102212 /nfs/dbraw/zinc/10/22/12/453102212.db2.gz RPCBKLADSDZSBM-IRXDYDNUSA-N 2 0 344.459 1.448 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662394422 453105081 /nfs/dbraw/zinc/10/50/81/453105081.db2.gz GZZDCGCQKQZMRM-AWEZNQCLSA-N 2 0 344.415 1.580 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000646105889 453109209 /nfs/dbraw/zinc/10/92/09/453109209.db2.gz KPZGHLBLFJJEGT-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000666754238 453118045 /nfs/dbraw/zinc/11/80/45/453118045.db2.gz JDQIRWIVTBHBFD-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP [NH3+]C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CCCCC1 ZINC000662417859 453127540 /nfs/dbraw/zinc/12/75/40/453127540.db2.gz NDIPDXOSQWMJOG-HUUCEWRRSA-N 2 0 334.468 1.230 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(-c3ccc(C[NH3+])cc3)nn2)C1 ZINC000656448098 453188920 /nfs/dbraw/zinc/18/89/20/453188920.db2.gz GGHSXJBNSMGSNJ-KRWDZBQOSA-N 2 0 329.448 1.761 20 0 EDADRP CC[NH2+]Cc1ccn(Cc2cn(CCC[NH+]3CCSCC3)nn2)n1 ZINC000656449575 453192034 /nfs/dbraw/zinc/19/20/34/453192034.db2.gz BWUFAFXMAVCKEV-UHFFFAOYSA-N 2 0 349.508 1.071 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+]1CCN(C)CC1 ZINC000662479392 453192446 /nfs/dbraw/zinc/19/24/46/453192446.db2.gz HNPNYAUWABPRQP-RTBURBONSA-N 2 0 344.503 1.609 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666935278 453260653 /nfs/dbraw/zinc/26/06/53/453260653.db2.gz NMJIHMMIOFZUBK-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000664630442 453267629 /nfs/dbraw/zinc/26/76/29/453267629.db2.gz RUGHPGASODRNRC-HOTGVXAUSA-N 2 0 339.528 1.208 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666974263 453290756 /nfs/dbraw/zinc/29/07/56/453290756.db2.gz MGGTZUIDZUILBF-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@@H+]1CCc2ccccc2C1 ZINC000653109820 453296282 /nfs/dbraw/zinc/29/62/82/453296282.db2.gz NZCJIEXANISWHI-NSHGMRRFSA-N 2 0 343.471 1.176 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)CC1 ZINC000653113943 453301955 /nfs/dbraw/zinc/30/19/55/453301955.db2.gz SAPCEDHRNAFOQT-QZTJIDSGSA-N 2 0 334.508 1.192 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH2+]CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000653113438 453302252 /nfs/dbraw/zinc/30/22/52/453302252.db2.gz BVQBZYLDJNSLDI-KRWDZBQOSA-N 2 0 344.503 1.937 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653123135 453314822 /nfs/dbraw/zinc/31/48/22/453314822.db2.gz OXCHTBUWYCDTQV-CRAIPNDOSA-N 2 0 348.491 1.625 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662587909 453315879 /nfs/dbraw/zinc/31/58/79/453315879.db2.gz ODBHHJPPTPUYMQ-CVEARBPZSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653122985 453316517 /nfs/dbraw/zinc/31/65/17/453316517.db2.gz KOBRYYLUANWWJF-MSOLQXFVSA-N 2 0 349.519 1.916 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662593325 453321414 /nfs/dbraw/zinc/32/14/14/453321414.db2.gz LEHNISGYFMGFBD-OAHLLOKOSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408980 453370203 /nfs/dbraw/zinc/37/02/03/453370203.db2.gz WKGFIJHAFLFVSV-QZTJIDSGSA-N 2 0 331.460 1.708 20 0 EDADRP CCn1ccc(CC(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)n1 ZINC000651222170 453374808 /nfs/dbraw/zinc/37/48/08/453374808.db2.gz PQAWWFXJVRFYBJ-QGZVFWFLSA-N 2 0 335.496 1.320 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CO2 ZINC000651228296 453378056 /nfs/dbraw/zinc/37/80/56/453378056.db2.gz OFTMFYLRQPKVFR-DLBZAZTESA-N 2 0 345.487 1.757 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662671563 453387398 /nfs/dbraw/zinc/38/73/98/453387398.db2.gz NYMLICYIPSSNPN-MRXNPFEDSA-N 2 0 348.495 1.445 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662673526 453391195 /nfs/dbraw/zinc/39/11/95/453391195.db2.gz MKZHJTJMESLWPW-GJZGRUSLSA-N 2 0 331.460 1.561 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000662675843 453393545 /nfs/dbraw/zinc/39/35/45/453393545.db2.gz TZQQCHXGUZWQBC-MRXNPFEDSA-N 2 0 334.464 1.695 20 0 EDADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662685932 453405881 /nfs/dbraw/zinc/40/58/81/453405881.db2.gz IUHPRKRGXJHHOZ-KSZLIROESA-N 2 0 329.444 1.922 20 0 EDADRP CC(C)([NH3+])CC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695153 453415324 /nfs/dbraw/zinc/41/53/24/453415324.db2.gz HXLZKTIEXJDQJJ-UHFFFAOYSA-N 2 0 330.476 1.585 20 0 EDADRP CCO[C@@H]1CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H]1C[NH3+] ZINC000653243739 453427304 /nfs/dbraw/zinc/42/73/04/453427304.db2.gz MBPKBUWJOVAAJA-NVXWUHKLSA-N 2 0 331.460 1.130 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000667148753 453438791 /nfs/dbraw/zinc/43/87/91/453438791.db2.gz VYOCCLYXCWPWKY-KRWDZBQOSA-N 2 0 326.404 1.875 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000667148567 453438996 /nfs/dbraw/zinc/43/89/96/453438996.db2.gz CKUYLWRIJJHBLX-MELADBBJSA-N 2 0 326.404 1.777 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662715370 453439458 /nfs/dbraw/zinc/43/94/58/453439458.db2.gz NGVNRJCRYHWPJJ-GJZGRUSLSA-N 2 0 334.468 1.197 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000653258753 453441764 /nfs/dbraw/zinc/44/17/64/453441764.db2.gz NEPJUOJKNGABCS-OWYHZJEWSA-N 2 0 343.471 1.761 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653261496 453444219 /nfs/dbraw/zinc/44/42/19/453444219.db2.gz SGOBYGDWLCCCKB-BDXSIMOUSA-N 2 0 331.460 1.964 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)CC[NH2+]C2CC2)C1 ZINC000662740996 453466740 /nfs/dbraw/zinc/46/67/40/453466740.db2.gz BQHZQZQQQPSJNI-SFHVURJKSA-N 2 0 330.476 1.061 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000662743270 453471222 /nfs/dbraw/zinc/47/12/22/453471222.db2.gz MQVXSTZZYMPNHN-JKSUJKDBSA-N 2 0 346.479 1.151 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662748375 453477468 /nfs/dbraw/zinc/47/74/68/453477468.db2.gz RNBBSVBXYKYWPW-CVEARBPZSA-N 2 0 348.495 1.397 20 0 EDADRP C[C@@H]1Oc2ccccc2[C@@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664916593 453480900 /nfs/dbraw/zinc/48/09/00/453480900.db2.gz PZHJRJBBPMZFAV-WMLDXEAASA-N 2 0 334.464 1.691 20 0 EDADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657557 453491874 /nfs/dbraw/zinc/49/18/74/453491874.db2.gz YBMMSLSWJUPRPI-UYAOXDASSA-N 2 0 348.487 1.990 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000660692346 453517311 /nfs/dbraw/zinc/51/73/11/453517311.db2.gz OTYSJQNMMHQKIM-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662793412 453529196 /nfs/dbraw/zinc/52/91/96/453529196.db2.gz GZSGPGKJPJWFKT-HOCLYGCPSA-N 2 0 332.448 1.698 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@H]1C[NH3+] ZINC000662818466 453550449 /nfs/dbraw/zinc/55/04/49/453550449.db2.gz YQEJNSYRZJUMDB-LXTVHRRPSA-N 2 0 334.468 1.038 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325735 453557794 /nfs/dbraw/zinc/55/77/94/453557794.db2.gz DBMKMTKTJHMZJG-IPMKNSEASA-N 2 0 342.487 1.997 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCC1([NH3+])CCCC1 ZINC000658999281 453573297 /nfs/dbraw/zinc/57/32/97/453573297.db2.gz IZRPLUJNGYHXAQ-UHFFFAOYSA-N 2 0 333.436 1.240 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CCO1 ZINC000665113320 453579184 /nfs/dbraw/zinc/57/91/84/453579184.db2.gz ZYEQWVGVOKYJFK-KRWDZBQOSA-N 2 0 345.447 1.587 20 0 EDADRP [NH3+]CCc1nc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)cs1 ZINC000662867174 453579660 /nfs/dbraw/zinc/57/96/60/453579660.db2.gz VYDFPOBINVGXEQ-ZIAGYGMSSA-N 2 0 348.447 1.659 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659031115 453589397 /nfs/dbraw/zinc/58/93/97/453589397.db2.gz KGGHXCJOZCJANZ-QGZVFWFLSA-N 2 0 332.448 1.905 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@@H]1CCC[NH3+] ZINC000662892156 453590342 /nfs/dbraw/zinc/59/03/42/453590342.db2.gz AMAURNNJAQSMAZ-HYVNUMGLSA-N 2 0 333.480 1.787 20 0 EDADRP CN(C(=O)CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900519 453593225 /nfs/dbraw/zinc/59/32/25/453593225.db2.gz MQMCXJKRRXYTEJ-GOSISDBHSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+][C@@H](CCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)CC1CCCCC1 ZINC000662908407 453597531 /nfs/dbraw/zinc/59/75/31/453597531.db2.gz UHCPRHGSGVJLAB-ROUUACIJSA-N 2 0 336.524 1.570 20 0 EDADRP [NH3+][C@@H](CCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)CC1CCCCC1 ZINC000662908409 453597700 /nfs/dbraw/zinc/59/77/00/453597700.db2.gz UHCPRHGSGVJLAB-ZWKOTPCHSA-N 2 0 336.524 1.570 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(O[C@H]3CC3(F)F)cc2)[C@H](C[NH3+])C1 ZINC000659051825 453600641 /nfs/dbraw/zinc/60/06/41/453600641.db2.gz REOSAFIPNUYXJB-OCCSQVGLSA-N 2 0 340.374 1.580 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000662927410 453609221 /nfs/dbraw/zinc/60/92/21/453609221.db2.gz YREQMSALPVMWIF-MRXNPFEDSA-N 2 0 333.480 1.083 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000665217355 453611196 /nfs/dbraw/zinc/61/11/96/453611196.db2.gz GWBNRAPGZAJNBS-KRWDZBQOSA-N 2 0 342.528 1.717 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000659089611 453624926 /nfs/dbraw/zinc/62/49/26/453624926.db2.gz FCSRGIMJVOPSJG-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659096078 453628968 /nfs/dbraw/zinc/62/89/68/453628968.db2.gz KSGYGKXCQCGVSH-SWLSCSKDSA-N 2 0 332.448 1.634 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000665287748 453636622 /nfs/dbraw/zinc/63/66/22/453636622.db2.gz SVYDSDALVGWXRS-JQHSSLGASA-N 2 0 337.508 1.770 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662999981 453642726 /nfs/dbraw/zinc/64/27/26/453642726.db2.gz DGMBTHAHHOXCQB-OAHLLOKOSA-N 2 0 346.479 1.054 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000665355173 453663426 /nfs/dbraw/zinc/66/34/26/453663426.db2.gz LUNGOWFZRPSHAF-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[NH2+]C(C)C)cc1 ZINC000659279191 453696944 /nfs/dbraw/zinc/69/69/44/453696944.db2.gz XJURXWRDNARAAE-UHFFFAOYSA-N 2 0 334.464 1.695 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH3+])CC3(CCC3)C2)[C@H](C)C1 ZINC000659285311 453700764 /nfs/dbraw/zinc/70/07/64/453700764.db2.gz LWODHGVKNONGPE-HZPDHXFCSA-N 2 0 337.508 1.901 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657347032 453771535 /nfs/dbraw/zinc/77/15/35/453771535.db2.gz MJBKJTAHDPTVIR-KRWDZBQOSA-N 3 0 342.491 1.631 20 0 EDADRP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657358932 453773790 /nfs/dbraw/zinc/77/37/90/453773790.db2.gz IBDQNASXECGSEN-GFCCVEGCSA-N 2 0 345.413 1.697 20 0 EDADRP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CO1 ZINC000657388455 453779597 /nfs/dbraw/zinc/77/95/97/453779597.db2.gz LPSRNANUUPBRNU-HZPDHXFCSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2nsc3ccccc23)CC1 ZINC000663368093 453781432 /nfs/dbraw/zinc/78/14/32/453781432.db2.gz WHXSCDYRUSJOFS-AWEZNQCLSA-N 2 0 334.489 1.037 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CCO1 ZINC000663501645 453810709 /nfs/dbraw/zinc/81/07/09/453810709.db2.gz ASLOCHUPJOBIPP-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)cc(OC)c2)CC1 ZINC000663503574 453811249 /nfs/dbraw/zinc/81/12/49/453811249.db2.gz PTMHOPBXDWXGPS-UHFFFAOYSA-N 2 0 349.475 1.784 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000663505336 453812225 /nfs/dbraw/zinc/81/22/25/453812225.db2.gz IBRLHAXCJFMNPD-FUHWJXTLSA-N 3 0 338.540 1.877 20 0 EDADRP C[C@H](CCNC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[NH+](C)C ZINC000663542541 453819132 /nfs/dbraw/zinc/81/91/32/453819132.db2.gz CKKLWRCFYFXTIZ-KFWWJZLASA-N 2 0 328.501 1.514 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)CC2)CC1 ZINC000671796170 486665718 /nfs/dbraw/zinc/66/57/18/486665718.db2.gz OPCTWNDFROGEGO-CALCHBBNSA-N 2 0 341.459 1.623 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COC1(C)C[NH2+]C1 ZINC000382725513 486696154 /nfs/dbraw/zinc/69/61/54/486696154.db2.gz SHAPIYCLQQEBIE-INIZCTEOSA-N 2 0 331.460 1.488 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000680312728 486747609 /nfs/dbraw/zinc/74/76/09/486747609.db2.gz IGAHPCVZOGRSKQ-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000680328831 486751646 /nfs/dbraw/zinc/75/16/46/486751646.db2.gz IAYHSDVVLMWLGB-MOPGFXCFSA-N 2 0 341.459 1.607 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(C)C ZINC000672668304 486757250 /nfs/dbraw/zinc/75/72/50/486757250.db2.gz SQEJVDRZNJLFMT-UHFFFAOYSA-N 2 0 328.501 1.203 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417285046 486796192 /nfs/dbraw/zinc/79/61/92/486796192.db2.gz GEFGWHFAJVHUFD-KLAILNCOSA-N 2 0 339.528 1.232 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000417522335 486800201 /nfs/dbraw/zinc/80/02/01/486800201.db2.gz GCLHLMPBXJGZGG-IRXDYDNUSA-N 2 0 348.491 1.739 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000670392824 486891939 /nfs/dbraw/zinc/89/19/39/486891939.db2.gz JNNNEMGYLSQVKK-QZTJIDSGSA-N 2 0 337.508 1.964 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000667799542 486970573 /nfs/dbraw/zinc/97/05/73/486970573.db2.gz XQMILADSTMMXEY-DYVFJYSZSA-N 2 0 331.464 1.921 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2nn[nH]c21 ZINC000667812457 486977973 /nfs/dbraw/zinc/97/79/73/486977973.db2.gz NCYJOJSHRHGJLP-HUUCEWRRSA-N 2 0 348.495 1.099 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000681250467 486990053 /nfs/dbraw/zinc/99/00/53/486990053.db2.gz GTNBWEVPMUALHH-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CCC2)cc1 ZINC000684419242 487053992 /nfs/dbraw/zinc/05/39/92/487053992.db2.gz FSZGBURIYHOPTN-UHFFFAOYSA-N 2 0 340.489 1.684 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC)C1 ZINC000673775902 487111964 /nfs/dbraw/zinc/11/19/64/487111964.db2.gz FIEXCFYVJXOJSK-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000677712644 487155502 /nfs/dbraw/zinc/15/55/02/487155502.db2.gz RSXMMGHWIFLYCZ-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000674328721 487237626 /nfs/dbraw/zinc/23/76/26/487237626.db2.gz YDJYBCTVLUSBIL-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000685591168 487300300 /nfs/dbraw/zinc/30/03/00/487300300.db2.gz RRLRREDMLNUYPF-UHFFFAOYSA-N 2 0 333.542 1.710 20 0 EDADRP Cc1nc2ccccn2c1CN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000675247416 487392834 /nfs/dbraw/zinc/39/28/34/487392834.db2.gz FZEVXNLJMDVDBT-KRWDZBQOSA-N 2 0 327.476 1.855 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](N3CCCC3=O)C2)cc1 ZINC000683000078 487440381 /nfs/dbraw/zinc/44/03/81/487440381.db2.gz WNGMGOXLTMRVSX-QGZVFWFLSA-N 2 0 331.460 1.824 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000502559152 487458215 /nfs/dbraw/zinc/45/82/15/487458215.db2.gz NDXLLJKDJSONPJ-BZSNNMDCSA-N 2 0 337.508 1.963 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC[NH+]2CCC(OC)CC2)[C@@H](C)C1 ZINC000675929584 487459467 /nfs/dbraw/zinc/45/94/67/487459467.db2.gz SCMWBCYCRXQLGA-HKUYNNGSSA-N 2 0 341.540 1.824 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CC1 ZINC000669513913 485478866 /nfs/dbraw/zinc/47/88/66/485478866.db2.gz VRZMAHWGIBNEOY-DOTOQJQBSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528965 485503945 /nfs/dbraw/zinc/50/39/45/485503945.db2.gz XXXVWUUDBVBCSQ-RNJTYBCJSA-N 2 0 328.460 1.524 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000669570381 485589549 /nfs/dbraw/zinc/58/95/49/485589549.db2.gz CNXZVBYEEKUCCM-LAQIPUCWSA-N 2 0 332.448 1.092 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC[C@@H]1[NH3+] ZINC000669570887 485592033 /nfs/dbraw/zinc/59/20/33/485592033.db2.gz HVRLZPSLAGOGPP-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CN(C)CCOC(C)(C)C)C1 ZINC000676042859 485904352 /nfs/dbraw/zinc/90/43/52/485904352.db2.gz FKUJZVXJJDESRH-MRXNPFEDSA-N 2 0 343.512 1.206 20 0 EDADRP C[C@@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)CC(C)(C)[NH3+] ZINC000237503665 485988267 /nfs/dbraw/zinc/98/82/67/485988267.db2.gz RRZZOHISOCHSCE-INIZCTEOSA-N 2 0 333.476 1.863 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000347956903 486029816 /nfs/dbraw/zinc/02/98/16/486029816.db2.gz KMUKOUTUADCSAR-MSOLQXFVSA-N 2 0 337.508 1.678 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000669418775 486137786 /nfs/dbraw/zinc/13/77/86/486137786.db2.gz HYSBOUCZMYWAGT-IIAWOOMASA-N 2 0 338.452 1.420 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484229 486249796 /nfs/dbraw/zinc/24/97/96/486249796.db2.gz KTEXSGLQCHJRIS-ZOBUZTSGSA-N 2 0 337.512 1.066 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669491341 486263727 /nfs/dbraw/zinc/26/37/27/486263727.db2.gz WBXISBVEENIEDG-FGTMMUONSA-N 2 0 334.508 1.892 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000381602319 486645157 /nfs/dbraw/zinc/64/51/57/486645157.db2.gz LEVOBMUKQAHFRZ-HOCLYGCPSA-N 2 0 341.377 1.919 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000120898106 490998517 /nfs/dbraw/zinc/99/85/17/490998517.db2.gz QVWJCRAPTNHVNY-ZBFHGGJFSA-N 2 0 336.484 1.639 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000422837283 517380196 /nfs/dbraw/zinc/38/01/96/517380196.db2.gz LTZOJKVHKCCRFZ-IRXDYDNUSA-N 3 0 338.540 1.863 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC2=[NH+]CCCN2)cc1OC ZINC000261889609 535553549 /nfs/dbraw/zinc/55/35/49/535553549.db2.gz STYLZIRRFYVSQB-UHFFFAOYSA-N 2 0 334.464 1.855 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1cn[nH]c1 ZINC000339861490 535594917 /nfs/dbraw/zinc/59/49/17/535594917.db2.gz QVSYZKFQTVFCLW-HOCLYGCPSA-N 2 0 336.484 1.528 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1(C)C ZINC000262294788 535650346 /nfs/dbraw/zinc/65/03/46/535650346.db2.gz WKZAFAJZVXVUKK-RCJHGTSTSA-N 2 0 331.460 1.472 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)C2)CC1 ZINC000271245533 535738561 /nfs/dbraw/zinc/73/85/61/535738561.db2.gz CJQWMHHGYDAWSC-NHCUHLMSSA-N 2 0 342.531 1.973 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)cc1 ZINC000237172186 535890113 /nfs/dbraw/zinc/89/01/13/535890113.db2.gz NOCZVWGMDJWLFJ-IBGZPJMESA-N 2 0 346.475 1.126 20 0 EDADRP C[NH+](C)Cc1ccc(-c2noc(CNC(=O)[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000261710265 535994691 /nfs/dbraw/zinc/99/46/91/535994691.db2.gz IVJIMTUAQPTIPA-AWEZNQCLSA-N 2 0 329.404 1.166 20 0 EDADRP C[NH2+][C@H](C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)c1cnn(C)c1 ZINC000262388491 536380299 /nfs/dbraw/zinc/38/02/99/536380299.db2.gz NWTCCWUCIHXZEJ-JZXOWHBKSA-N 2 0 347.507 1.794 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@H+](C)C1 ZINC000346007923 536777800 /nfs/dbraw/zinc/77/78/00/536777800.db2.gz IHDBEOWTAUGLIA-ROUUACIJSA-N 2 0 348.491 1.609 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000247313771 536861051 /nfs/dbraw/zinc/86/10/51/536861051.db2.gz MBDCRNANJFWQRY-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000262222063 536864841 /nfs/dbraw/zinc/86/48/41/536864841.db2.gz FSUZALBQVHCZSN-CQDKDKBSSA-N 2 0 343.830 1.562 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000333677741 536893132 /nfs/dbraw/zinc/89/31/32/536893132.db2.gz OHCQULIBVLVIDG-IRXDYDNUSA-N 2 0 346.475 1.534 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000743316730 579475857 /nfs/dbraw/zinc/47/58/57/579475857.db2.gz YDGMZYHCNDZKRY-WBVHZDCISA-N 2 0 325.497 1.770 20 0 EDADRP CN(C[C@H]1CCN(C[C@H](O)C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000729543800 578581938 /nfs/dbraw/zinc/58/19/38/578581938.db2.gz QLJVLFQAKGFRCU-HZPDHXFCSA-N 2 0 341.496 1.632 20 0 EDADRP C[NH+]1CCC(NC(=S)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000729646531 578586257 /nfs/dbraw/zinc/58/62/57/578586257.db2.gz BEJWHNUUTZWCED-UHFFFAOYSA-N 2 0 340.537 1.190 20 0 EDADRP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000760474305 580031567 /nfs/dbraw/zinc/03/15/67/580031567.db2.gz ILHRORNBYVTCHC-LSDHHAIUSA-N 2 0 326.554 1.913 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)[N@H+](C)Cc1ccccc1 ZINC000735855714 578929456 /nfs/dbraw/zinc/92/94/56/578929456.db2.gz NVLDCQMMOPIJSG-BPQIPLTHSA-N 2 0 331.460 1.486 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000735870598 578934577 /nfs/dbraw/zinc/93/45/77/578934577.db2.gz MVTHMWSWKYVLIQ-MSOLQXFVSA-N 2 0 336.476 1.846 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)o1 ZINC000747231313 579634571 /nfs/dbraw/zinc/63/45/71/579634571.db2.gz HPFBDVXVNCQXJM-GDBMZVCRSA-N 2 0 335.448 1.714 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000749434554 579726662 /nfs/dbraw/zinc/72/66/62/579726662.db2.gz ATVFQSHXEVSPQU-CRAIPNDOSA-N 2 0 341.496 1.726 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000751080703 579793665 /nfs/dbraw/zinc/79/36/65/579793665.db2.gz COZJLTCDMSKUGY-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP COC[C@@H](C)NC(=S)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000755397802 579926562 /nfs/dbraw/zinc/92/65/62/579926562.db2.gz MUCTWCBKPNGITO-JZWPEALZSA-N 2 0 340.537 1.139 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000764491867 580121669 /nfs/dbraw/zinc/12/16/69/580121669.db2.gz VNIVTKVRHBGPIS-LSDHHAIUSA-N 2 0 326.554 1.865 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=S)NCCC[NH+](C)C ZINC000764931544 580131540 /nfs/dbraw/zinc/13/15/40/580131540.db2.gz PYAXPZAIRISDFG-NVXWUHKLSA-N 2 0 334.533 1.923 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@@H]12 ZINC000770001395 580250777 /nfs/dbraw/zinc/25/07/77/580250777.db2.gz HMKQYYNEIXXSIC-FPCVCCKLSA-N 2 0 329.579 1.982 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775365636 580389290 /nfs/dbraw/zinc/38/92/90/580389290.db2.gz XGKYVPBXWDGFRM-ILXRZTDVSA-N 2 0 329.579 1.982 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000775385804 580389893 /nfs/dbraw/zinc/38/98/93/580389893.db2.gz NEVNUJRNGIJQJZ-KBXIAJHMSA-N 2 0 343.562 1.543 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790290966 580766085 /nfs/dbraw/zinc/76/60/85/580766085.db2.gz RJPMLMMVNITIPM-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000792942234 580831436 /nfs/dbraw/zinc/83/14/36/580831436.db2.gz GJIJMKGEDMGJQA-HNNXBMFYSA-N 2 0 329.485 1.726 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000793022028 580834123 /nfs/dbraw/zinc/83/41/23/580834123.db2.gz MABMTEQIGHFBIN-QGZVFWFLSA-N 2 0 336.480 1.191 20 0 EDADRP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)n(C)n1 ZINC000793541151 580847416 /nfs/dbraw/zinc/84/74/16/580847416.db2.gz PRLQZPJWYNDONU-OAHLLOKOSA-N 2 0 343.475 1.871 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000794394542 580890238 /nfs/dbraw/zinc/89/02/38/580890238.db2.gz ZEQGDWKBUQXYFI-HUUCEWRRSA-N 2 0 329.485 1.536 20 0 EDADRP C[C@]1(CNC(=O)NCC[NH+]2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798482751 580998848 /nfs/dbraw/zinc/99/88/48/580998848.db2.gz MOKOJVKCOJHQIV-LJQANCHMSA-N 2 0 330.476 1.904 20 0 EDADRP C[NH+]1CCC2(CCC[N@@H+]([C@H]3CCN(C4CCOCC4)C3=O)C2)CC1 ZINC000799178622 581021422 /nfs/dbraw/zinc/02/14/22/581021422.db2.gz YTPMJQQFDPPFET-KRWDZBQOSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891906894 590681450 /nfs/dbraw/zinc/68/14/50/590681450.db2.gz VWVKXVDMXRDOJW-GJZGRUSLSA-N 2 0 326.485 1.173 20 0 EDADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)NCC1C[NH2+]C1 ZINC000892049770 590772214 /nfs/dbraw/zinc/77/22/14/590772214.db2.gz YZZQXLOVNSPJOY-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000892088417 590792114 /nfs/dbraw/zinc/79/21/14/590792114.db2.gz JKPIIOQCLPEMAN-UXLLHSPISA-N 2 0 332.448 1.621 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N[C@]34CCC[C@H]3[NH2+]CC4)cn21 ZINC000892213836 590868100 /nfs/dbraw/zinc/86/81/00/590868100.db2.gz KWEFUYGYLLFWPL-QAPCUYQASA-N 2 0 327.432 1.769 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000892252118 590887606 /nfs/dbraw/zinc/88/76/06/590887606.db2.gz FIYSITISGJNHOX-VDHUWJSZSA-N 2 0 330.476 1.949 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000892262721 590894630 /nfs/dbraw/zinc/89/46/30/590894630.db2.gz VDUITJRYEZPALE-TVRKMHQQSA-N 2 0 328.460 1.621 20 0 EDADRP CN1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC[N@H+](C)CC1 ZINC000888983547 590948844 /nfs/dbraw/zinc/94/88/44/590948844.db2.gz GUYSTKHRSQACQI-UHFFFAOYSA-N 2 0 332.492 1.110 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892329477 590952531 /nfs/dbraw/zinc/95/25/31/590952531.db2.gz BIKFMZAMGXUTBT-FQEVSTJZSA-N 2 0 342.487 1.960 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892390198 591007308 /nfs/dbraw/zinc/00/73/08/591007308.db2.gz RYECDTUVMHUFAI-OAHLLOKOSA-N 2 0 340.512 1.299 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)c1 ZINC000892490150 591047053 /nfs/dbraw/zinc/04/70/53/591047053.db2.gz NUYMIPHKARIVJW-QZTJIDSGSA-N 2 0 330.476 1.984 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[NH+]1CCCCC1 ZINC000891395966 591066867 /nfs/dbraw/zinc/06/68/67/591066867.db2.gz CHHNMQRLMDKNHZ-YJBOKZPZSA-N 2 0 330.476 1.875 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)NCc3cc(N)cc[nH+]3)CC2)CC1 ZINC000891461240 591079232 /nfs/dbraw/zinc/07/92/32/591079232.db2.gz KTGZDSLPAKRYOF-UHFFFAOYSA-N 2 0 346.479 1.022 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000892586075 591081817 /nfs/dbraw/zinc/08/18/17/591081817.db2.gz BSXRAKALSYCDPI-OWLYRPNTSA-N 2 0 334.508 1.938 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891513555 591100835 /nfs/dbraw/zinc/10/08/35/591100835.db2.gz DVWIYADFMHLPDL-NUJGCVRESA-N 2 0 336.480 1.025 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCC1 ZINC000891516546 591103313 /nfs/dbraw/zinc/10/33/13/591103313.db2.gz HJMOFSVBZLXYGS-INIZCTEOSA-N 2 0 338.496 1.319 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000891535042 591111826 /nfs/dbraw/zinc/11/18/26/591111826.db2.gz RYFUYPRBFFRXLP-RCCFBDPRSA-N 2 0 330.476 1.505 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891642855 591163902 /nfs/dbraw/zinc/16/39/02/591163902.db2.gz AALSZADIGDBCBT-NRSFXHEJSA-N 2 0 330.476 1.934 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000891645794 591166379 /nfs/dbraw/zinc/16/63/79/591166379.db2.gz FZGZAIBFKUALAX-NEPJUHHUSA-N 2 0 337.493 1.542 20 0 EDADRP O=C(NC[C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](C2CCC2)CC1 ZINC000892777008 591172140 /nfs/dbraw/zinc/17/21/40/591172140.db2.gz QKAUXHSUUIBURU-MRXNPFEDSA-N 2 0 336.480 1.025 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892808201 591187099 /nfs/dbraw/zinc/18/70/99/591187099.db2.gz LZBKNCGVZNGFIU-CRAIPNDOSA-N 2 0 330.476 1.684 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000892811955 591189578 /nfs/dbraw/zinc/18/95/78/591189578.db2.gz PWCKKORQXQSKNN-SFHVURJKSA-N 2 0 328.460 1.438 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817561 591192768 /nfs/dbraw/zinc/19/27/68/591192768.db2.gz DZMHQCFHKXNHEE-IAGOWNOFSA-N 2 0 336.480 1.166 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891704023 591192968 /nfs/dbraw/zinc/19/29/68/591192968.db2.gz NTIYKMYAKFYWEP-JQFCIGGWSA-N 2 0 329.448 1.363 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CCC(C)(C)C1)[C@@H](C)N1CCOCC1 ZINC000892837713 591200480 /nfs/dbraw/zinc/20/04/80/591200480.db2.gz FSGBIEGLOSVVOK-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879371 591214657 /nfs/dbraw/zinc/21/46/57/591214657.db2.gz NMJOIRUBCARWSC-CHWSQXEVSA-N 2 0 349.504 1.639 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)C1C[NH+](C2CCOCC2)C1 ZINC000895630401 591235921 /nfs/dbraw/zinc/23/59/21/591235921.db2.gz XFDWVDUKZJTZMS-UHFFFAOYSA-N 2 0 343.471 1.272 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000895781445 591274047 /nfs/dbraw/zinc/27/40/47/591274047.db2.gz TYULQLNTFUUJHM-FCEWJHQRSA-N 2 0 349.519 1.961 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C1CCS(=O)CC1 ZINC000894522618 591334143 /nfs/dbraw/zinc/33/41/43/591334143.db2.gz LXJIERPSVXZNKJ-UHFFFAOYSA-N 2 0 325.478 1.413 20 0 EDADRP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000897419560 591379160 /nfs/dbraw/zinc/37/91/60/591379160.db2.gz DBDULNWXICFCNN-BMGDILEWSA-N 2 0 331.460 1.515 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000897442783 591454378 /nfs/dbraw/zinc/45/43/78/591454378.db2.gz IYQLETIDVBRJOF-SOLBZPMBSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)C1 ZINC000897470587 591473001 /nfs/dbraw/zinc/47/30/01/591473001.db2.gz HAYVWGHUIFYWKB-HOTGVXAUSA-N 2 0 331.464 1.644 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000897500953 591504293 /nfs/dbraw/zinc/50/42/93/591504293.db2.gz JZIVWKKFAYPJKD-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000897515138 591515238 /nfs/dbraw/zinc/51/52/38/591515238.db2.gz JRTUQYPIPQXKCO-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)[C@H]1C[NH+](C)CCN1C)c1ccccc1 ZINC000896561546 591524667 /nfs/dbraw/zinc/52/46/67/591524667.db2.gz ADTBZCWVTIMGQJ-NXHRZFHOSA-N 2 0 332.492 1.430 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897546038 591545087 /nfs/dbraw/zinc/54/50/87/591545087.db2.gz WGRJUKDMDSWIEV-KRWDZBQOSA-N 2 0 347.507 1.887 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896607938 591551406 /nfs/dbraw/zinc/55/14/06/591551406.db2.gz BLKXULIQFHJWCG-HRCADAONSA-N 2 0 342.553 1.842 20 0 EDADRP C[NH+]1C[C@H]2[C@@H](CCN2C(=O)NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000897592338 591573261 /nfs/dbraw/zinc/57/32/61/591573261.db2.gz UXAZOSZZUXAWES-RDGPPVDQSA-N 2 0 342.487 1.677 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccco1 ZINC000897729555 591652990 /nfs/dbraw/zinc/65/29/90/591652990.db2.gz CPXAHEBHJUZJOE-NUEKZKHPSA-N 2 0 335.448 1.546 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895326217 591714456 /nfs/dbraw/zinc/71/44/56/591714456.db2.gz YIUOGWRWXPUKJH-XHSDSOJGSA-N 2 0 331.476 1.482 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[NH+](C)C)c1 ZINC000895461908 591765915 /nfs/dbraw/zinc/76/59/15/591765915.db2.gz QRJHJCSJYLHQGZ-WMZOPIPTSA-N 2 0 347.459 1.135 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895494366 591776759 /nfs/dbraw/zinc/77/67/59/591776759.db2.gz FQFIDWHWPFCPTP-IBGZPJMESA-N 2 0 343.471 1.619 20 0 EDADRP C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000898120937 591788603 /nfs/dbraw/zinc/78/86/03/591788603.db2.gz DLKZTRFMBNXKNX-BZUAXINKSA-N 2 0 337.508 1.601 20 0 EDADRP C[C@@H](CNC(=O)N1CCC12CC[NH+](C)CC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000895604411 591816810 /nfs/dbraw/zinc/81/68/10/591816810.db2.gz BDTSUHNVRISRPP-HRCADAONSA-N 2 0 338.496 1.364 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000898274514 591848993 /nfs/dbraw/zinc/84/89/93/591848993.db2.gz CPJAXHWXWWDDAD-IPMKNSEASA-N 2 0 343.471 1.583 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000899980539 591851020 /nfs/dbraw/zinc/85/10/20/591851020.db2.gz DDRIYVDCJANWNL-UHFFFAOYSA-N 2 0 328.460 1.863 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333449 591875659 /nfs/dbraw/zinc/87/56/59/591875659.db2.gz TVILHWKWQZMIKG-WBVHZDCISA-N 2 0 348.491 1.972 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)CCCCN1CCOCC1 ZINC000899809008 591945825 /nfs/dbraw/zinc/94/58/25/591945825.db2.gz KBXRYIUARKVEHG-KRWDZBQOSA-N 2 0 346.475 1.621 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000900245401 591952978 /nfs/dbraw/zinc/95/29/78/591952978.db2.gz ACALYYMIWYBTBO-LJQANCHMSA-N 2 0 346.475 1.009 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]CC2(N3CCOCC3)CCOCC2)C1 ZINC000902390108 591989931 /nfs/dbraw/zinc/98/99/31/591989931.db2.gz HDGYOTIGYJFBAI-INIZCTEOSA-N 2 0 325.497 1.236 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CCC1 ZINC000902404181 591991344 /nfs/dbraw/zinc/99/13/44/591991344.db2.gz IYFMIZBSAUTZEE-CQSZACIVSA-N 2 0 345.553 1.995 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900352964 591992928 /nfs/dbraw/zinc/99/29/28/591992928.db2.gz KEESAIWWTKRPPJ-DFGXFYAUSA-N 2 0 325.497 1.316 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000900519164 592044049 /nfs/dbraw/zinc/04/40/49/592044049.db2.gz HUPYDRMMVAAVKM-ABHNRTSZSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000900539103 592051288 /nfs/dbraw/zinc/05/12/88/592051288.db2.gz BHFVVTQNWXGVMM-MRXNPFEDSA-N 2 0 333.480 1.535 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cn2)CC1 ZINC000902736127 592054409 /nfs/dbraw/zinc/05/44/09/592054409.db2.gz DVBZZCPBHXQBDW-HROONELDSA-N 2 0 342.487 1.737 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cn(C)nn1 ZINC000902795452 592064654 /nfs/dbraw/zinc/06/46/54/592064654.db2.gz GIFMOVUAFGSJCW-DNVCBOLYSA-N 2 0 343.475 1.911 20 0 EDADRP CN(C)C(=O)c1cccc(CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000902809114 592067934 /nfs/dbraw/zinc/06/79/34/592067934.db2.gz AMYKQDSSLZYJKX-JKSUJKDBSA-N 2 0 346.431 1.250 20 0 EDADRP CC(=O)c1ccccc1OCCONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811510 592068830 /nfs/dbraw/zinc/06/88/30/592068830.db2.gz XNUOOLZDRUEYBA-WMLDXEAASA-N 2 0 347.415 1.630 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)NCC[NH+](C)C ZINC000902922804 592085204 /nfs/dbraw/zinc/08/52/04/592085204.db2.gz ZANQKPHIGFFAEQ-UXJCHEOYSA-N 2 0 337.508 1.482 20 0 EDADRP CN1C2(CCC2)COC[C@]1(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903207715 592137957 /nfs/dbraw/zinc/13/79/57/592137957.db2.gz ZPCVABMKFARYHB-WQHGSSGSSA-N 2 0 349.519 1.350 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000903234894 592146233 /nfs/dbraw/zinc/14/62/33/592146233.db2.gz QVYPLESILFGZHB-WOYTXXSLSA-N 2 0 343.537 1.557 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900888168 592157930 /nfs/dbraw/zinc/15/79/30/592157930.db2.gz ZMYDADBWZFLSLY-DAWZGUTISA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903425082 592171338 /nfs/dbraw/zinc/17/13/38/592171338.db2.gz QWOSEEWVQIHDDE-HUUCEWRRSA-N 2 0 345.443 1.358 20 0 EDADRP COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cs1 ZINC000903505445 592181904 /nfs/dbraw/zinc/18/19/04/592181904.db2.gz BSIDCGGZQKYNOS-IYBDPMFKSA-N 2 0 349.500 1.935 20 0 EDADRP CCOC(=O)CCCCC[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493183 592185461 /nfs/dbraw/zinc/18/54/61/592185461.db2.gz OFSMNZIGTCRDDI-VBQJREDUSA-N 2 0 326.437 1.322 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000903493013 592185537 /nfs/dbraw/zinc/18/55/37/592185537.db2.gz SZUGJSWKHMZXAI-WRSAYESZSA-N 2 0 349.406 1.367 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1cccc(OC)c1)C2 ZINC000903492900 592185686 /nfs/dbraw/zinc/18/56/86/592185686.db2.gz KXQSXGOBPBHLCY-IYOUNJFTSA-N 2 0 334.416 1.286 20 0 EDADRP C[C@@H](C(=O)Nc1nccs1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508527 592189561 /nfs/dbraw/zinc/18/95/61/592189561.db2.gz KHEDWOKBIXPREY-AEGPPILISA-N 2 0 349.504 1.371 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000901024970 592202994 /nfs/dbraw/zinc/20/29/94/592202994.db2.gz YCMFYDARGUATRG-SFHVURJKSA-N 2 0 338.540 1.497 20 0 EDADRP Fc1cccc([C@H]2C[NH2+]CCN2Cc2ccc(N3CC[NH2+]CC3)o2)c1 ZINC000904334413 592233688 /nfs/dbraw/zinc/23/36/88/592233688.db2.gz VMBDDZRLEXAYNF-GOSISDBHSA-N 2 0 344.434 1.975 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906649486 592233955 /nfs/dbraw/zinc/23/39/55/592233955.db2.gz DSPCJACVHOVZJY-MRXNPFEDSA-N 2 0 346.475 1.855 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)o3)C2)C1 ZINC000904373423 592241456 /nfs/dbraw/zinc/24/14/56/592241456.db2.gz DOOCQLDHDWXNIO-LZLYRXPVSA-N 3 0 348.491 1.408 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000904366487 592242353 /nfs/dbraw/zinc/24/23/53/592242353.db2.gz LZKKDBYVRNAMBM-HNNXBMFYSA-N 2 0 336.867 1.458 20 0 EDADRP O=C(N[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129820 592243611 /nfs/dbraw/zinc/24/36/11/592243611.db2.gz GLJAEAXMLHKJCX-QZTJIDSGSA-N 2 0 343.471 1.081 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906670372 592251888 /nfs/dbraw/zinc/25/18/88/592251888.db2.gz MXTBXFSTEGUCKN-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)c1 ZINC000906706286 592278565 /nfs/dbraw/zinc/27/85/65/592278565.db2.gz LZDXCYVBWMUNBY-INIZCTEOSA-N 2 0 346.475 1.581 20 0 EDADRP CC[NH2+]CC1CC[NH+](CCS(=O)(=O)Nc2ccccc2)CC1 ZINC000903717259 592279264 /nfs/dbraw/zinc/27/92/64/592279264.db2.gz LMIKKRPSFBUZMS-UHFFFAOYSA-N 2 0 325.478 1.750 20 0 EDADRP O=C(c1ccsc1)N1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722569 592283767 /nfs/dbraw/zinc/28/37/67/592283767.db2.gz MYTBLCDHYQABRK-SJLPKXTDSA-N 2 0 349.500 1.665 20 0 EDADRP CC1CCN(C(=O)C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903722246 592284301 /nfs/dbraw/zinc/28/43/01/592284301.db2.gz JKBNRDGFBXOJSR-UYAOXDASSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726535 592285096 /nfs/dbraw/zinc/28/50/96/592285096.db2.gz MQOQKVRWARSWIS-FUHWJXTLSA-N 2 0 349.500 1.711 20 0 EDADRP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727768 592285735 /nfs/dbraw/zinc/28/57/35/592285735.db2.gz XEJAHVIEBAGXOI-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903727146 592285927 /nfs/dbraw/zinc/28/59/27/592285927.db2.gz RDAXZMQQQNJKFP-GBESFXJTSA-N 2 0 334.460 1.265 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000903726963 592286385 /nfs/dbraw/zinc/28/63/85/592286385.db2.gz PPXAWFZKIYVOPT-QUCCMNQESA-N 2 0 349.519 1.916 20 0 EDADRP C(OC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)[C@H]1CCCCO1 ZINC000903731761 592288389 /nfs/dbraw/zinc/28/83/89/592288389.db2.gz CLCROIQIBIDKRB-QYZOEREBSA-N 2 0 338.492 1.805 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000906720960 592289879 /nfs/dbraw/zinc/28/98/79/592289879.db2.gz FMHNKHGPMUHJEX-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP c1csc(CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000903745504 592292215 /nfs/dbraw/zinc/29/22/15/592292215.db2.gz JDFLMUUYTMFIJY-FXUDXRNXSA-N 2 0 349.500 1.891 20 0 EDADRP c1cncc(CN2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903751968 592295370 /nfs/dbraw/zinc/29/53/70/592295370.db2.gz JYYZIISHFWFQQO-GOSISDBHSA-N 2 0 330.476 1.358 20 0 EDADRP [NH3+][C@@H]1CCCn2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)cc21 ZINC000904639763 592301440 /nfs/dbraw/zinc/30/14/40/592301440.db2.gz VXRNEVPCRCJPTN-GYSYKLTISA-N 2 0 330.392 1.262 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740065 592301710 /nfs/dbraw/zinc/30/17/10/592301710.db2.gz CKABHRPWEXUPEL-RBUKOAKNSA-N 3 0 337.508 1.332 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740015 592301980 /nfs/dbraw/zinc/30/19/80/592301980.db2.gz RQKVMZAPTIHLFB-RLLQIKCJSA-N 2 0 329.488 1.961 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C[C@H](N)C(F)F)n3)c2)CC1 ZINC000904670713 592309457 /nfs/dbraw/zinc/30/94/57/592309457.db2.gz BAJJCHOCKLMBGB-NSHDSACASA-N 2 0 338.362 1.018 20 0 EDADRP NC[C@]12CC[C@H]1CC[N@@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000903852692 592345483 /nfs/dbraw/zinc/34/54/83/592345483.db2.gz BUFOCQGALIEBQF-IFXJQAMLSA-N 2 0 327.428 1.876 20 0 EDADRP [NH3+]C[C@@]12CC[C@@H]1CCN2CCOCCN1C(=O)c2ccccc2C1=O ZINC000903862600 592349283 /nfs/dbraw/zinc/34/92/83/592349283.db2.gz AFNBFWRDKFNGAX-KUHUBIRLSA-N 2 0 343.427 1.112 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCCC[C@@H]([NH+]3CCCC3)C2)cnn1C ZINC000903888804 592351094 /nfs/dbraw/zinc/35/10/94/592351094.db2.gz LGLIWJROGKQSLH-PKOBYXMFSA-N 2 0 333.524 1.796 20 0 EDADRP C[C@H](C(=O)N1CCCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903898544 592368481 /nfs/dbraw/zinc/36/84/81/592368481.db2.gz PBHJPGACDIOGTC-CSNJMZFVSA-N 2 0 334.508 1.146 20 0 EDADRP O=C1COc2ccccc2N1CCC[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903922831 592378769 /nfs/dbraw/zinc/37/87/69/592378769.db2.gz FUJYPFQUAHDJLD-MQVJKMGUSA-N 2 0 329.444 1.922 20 0 EDADRP Cc1csc([C@@H]2CC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903937130 592387422 /nfs/dbraw/zinc/38/74/22/592387422.db2.gz BUVKTBSZNXOYLC-ZIAGYGMSSA-N 2 0 332.477 1.957 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903916507 592388659 /nfs/dbraw/zinc/38/86/59/592388659.db2.gz HCWDQKPXYLVVLX-QGZVFWFLSA-N 2 0 328.464 1.206 20 0 EDADRP COC(=O)c1coc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1 ZINC000903980591 592401636 /nfs/dbraw/zinc/40/16/36/592401636.db2.gz VGGAQESRYHGDJB-IYBDPMFKSA-N 2 0 333.432 1.467 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905111937 592411861 /nfs/dbraw/zinc/41/18/61/592411861.db2.gz VRDIRTQVMQHBJS-ROUUACIJSA-N 2 0 335.492 1.087 20 0 EDADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905154009 592422753 /nfs/dbraw/zinc/42/27/53/592422753.db2.gz MVNZLBQXHCVSGE-ZGUYJTEBSA-N 2 0 326.481 1.276 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905154425 592423845 /nfs/dbraw/zinc/42/38/45/592423845.db2.gz OVDGUCKFQHXBFZ-ROUUACIJSA-N 2 0 328.497 1.237 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908287044 592425855 /nfs/dbraw/zinc/42/58/55/592425855.db2.gz FUPITXNGSMCFNR-KLAILNCOSA-N 2 0 325.497 1.722 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1(O)CCCC1 ZINC000905204604 592464099 /nfs/dbraw/zinc/46/40/99/592464099.db2.gz QHHADTVZCABJKV-QZTJIDSGSA-N 2 0 334.460 1.009 20 0 EDADRP O[C@@H](C[NH2+]C[C@H](O)CN1CCc2ccccc2C1)CC1(O)CCCC1 ZINC000905345079 592500784 /nfs/dbraw/zinc/50/07/84/592500784.db2.gz LDFSRMGZQQIQCL-MOPGFXCFSA-N 2 0 348.487 1.051 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000905358460 592506163 /nfs/dbraw/zinc/50/61/63/592506163.db2.gz FUVFXLACDPYGHH-OAHLLOKOSA-N 2 0 329.510 1.218 20 0 EDADRP O[C@H](C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)C[NH+]1CCCC1 ZINC000905475102 592536667 /nfs/dbraw/zinc/53/66/67/592536667.db2.gz ZBJNRPHJOAVGOB-SJORKVTESA-N 2 0 326.481 1.399 20 0 EDADRP O[C@@H](C[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)C[NH+]1CCCC1 ZINC000905475101 592536757 /nfs/dbraw/zinc/53/67/57/592536757.db2.gz ZBJNRPHJOAVGOB-IRXDYDNUSA-N 2 0 326.481 1.399 20 0 EDADRP C[N@@H+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC12CCCCC2 ZINC000908573955 592544411 /nfs/dbraw/zinc/54/44/11/592544411.db2.gz BRDIBLROEAYYPR-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000908593544 592547480 /nfs/dbraw/zinc/54/74/80/592547480.db2.gz CLOLJTKZTCMVNF-KRWDZBQOSA-N 2 0 339.524 1.848 20 0 EDADRP C[C@@H]1CN(C(=S)NC2CC[NH+](C)CC2)CCN1c1cc[nH+]cc1 ZINC000905523127 592560300 /nfs/dbraw/zinc/56/03/00/592560300.db2.gz MYXUNWPQJJAUSJ-CQSZACIVSA-N 2 0 333.505 1.561 20 0 EDADRP CCO[C@@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)CN(C)C ZINC000905580987 592579569 /nfs/dbraw/zinc/57/95/69/592579569.db2.gz RPRUZXPUXZILTE-HNNXBMFYSA-N 2 0 329.391 1.850 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H](C)O1 ZINC000905666914 592601393 /nfs/dbraw/zinc/60/13/93/592601393.db2.gz BXDLVJUEFZNOEN-IYBDPMFKSA-N 2 0 325.497 1.866 20 0 EDADRP CCn1cnc2c1ncnc2N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905704381 592616980 /nfs/dbraw/zinc/61/69/80/592616980.db2.gz SNDDQPASJJMIDC-GASCZTMLSA-N 2 0 341.463 1.251 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905907695 592676838 /nfs/dbraw/zinc/67/68/38/592676838.db2.gz MTBCFOYREXHQSX-MOPGFXCFSA-N 2 0 335.492 1.088 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907809037 592812453 /nfs/dbraw/zinc/81/24/53/592812453.db2.gz VTCBKONTXDKSIK-MRXNPFEDSA-N 2 0 337.508 1.963 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000907862229 592819338 /nfs/dbraw/zinc/81/93/38/592819338.db2.gz NRACXLNOCDKIDH-YQVWRLOYSA-N 2 0 331.460 1.080 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+]3CCCOCC3)CC2)C1 ZINC000910366184 592845396 /nfs/dbraw/zinc/84/53/96/592845396.db2.gz CNCRCNMFDBLYAM-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CNC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000906581211 592857866 /nfs/dbraw/zinc/85/78/66/592857866.db2.gz UHKXWJHUCJOJOR-UHFFFAOYSA-N 2 0 335.452 1.003 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645901 592865855 /nfs/dbraw/zinc/86/58/55/592865855.db2.gz MSWXVJWZVNQFAG-RBSFLKMASA-N 2 0 346.475 1.566 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911294060 592982519 /nfs/dbraw/zinc/98/25/19/592982519.db2.gz UTFIZZLYIJSFIS-OAHLLOKOSA-N 2 0 340.512 1.056 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911737188 592993304 /nfs/dbraw/zinc/99/33/04/592993304.db2.gz RKSHDKZQJNFVJT-QGZVFWFLSA-N 2 0 333.476 1.770 20 0 EDADRP C[NH2+]C1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000911787822 593008653 /nfs/dbraw/zinc/00/86/53/593008653.db2.gz VUPKUYYQIRWFLX-TWGQIWQCSA-N 2 0 331.460 1.851 20 0 EDADRP CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000911371324 593017014 /nfs/dbraw/zinc/01/70/14/593017014.db2.gz KRKIWFOPJXRKHF-CVEARBPZSA-N 2 0 349.479 1.114 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1nnc(-c2ccco2)o1 ZINC000912305361 593085442 /nfs/dbraw/zinc/08/54/42/593085442.db2.gz WYIVMJNKEIWCPA-LBPRGKRZSA-N 2 0 335.408 1.331 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000912588056 593106641 /nfs/dbraw/zinc/10/66/41/593106641.db2.gz IGSXZGJTNFJJEL-HOTGVXAUSA-N 2 0 325.497 1.458 20 0 EDADRP CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000805763183 593140253 /nfs/dbraw/zinc/14/02/53/593140253.db2.gz QLKVGSMREZCKOI-HOTGVXAUSA-N 2 0 327.469 1.386 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CCn2ccnc21)CCC(F)(F)F ZINC000838565981 593188174 /nfs/dbraw/zinc/18/81/74/593188174.db2.gz KHMPMNFUMIYYJR-LLVKDONJSA-N 2 0 333.358 1.901 20 0 EDADRP Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCC[N@H+](C)C2)c(N(C)C)n1 ZINC000839591950 593345835 /nfs/dbraw/zinc/34/58/35/593345835.db2.gz MTYQUYSAOVAPGS-CQSZACIVSA-N 2 0 347.463 1.243 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000809634301 593351173 /nfs/dbraw/zinc/35/11/73/593351173.db2.gz XDMLTUKJRDGEPO-LBPRGKRZSA-N 2 0 329.466 1.635 20 0 EDADRP CON(C)C(=O)C1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000812779792 593508978 /nfs/dbraw/zinc/50/89/78/593508978.db2.gz XVFORDMVJFEVEL-UHFFFAOYSA-N 2 0 343.431 1.808 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@](O)(c1ccccc1)C(F)(F)F ZINC000817890999 593645855 /nfs/dbraw/zinc/64/58/55/593645855.db2.gz DHJANOHHAIGRCC-MHEUCROKSA-N 2 0 332.366 1.778 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817894089 593646442 /nfs/dbraw/zinc/64/64/42/593646442.db2.gz AAMOIGXOXKOCRI-LEWSCRJBSA-N 2 0 326.824 1.862 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)c1 ZINC000817949566 593651401 /nfs/dbraw/zinc/65/14/01/593651401.db2.gz RNONGQCJIPHOEA-AWEZNQCLSA-N 2 0 347.484 1.947 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C3CC3)c2)C1 ZINC000819040604 593735054 /nfs/dbraw/zinc/73/50/54/593735054.db2.gz ODUOCFUOFCULOE-ROUUACIJSA-N 2 0 331.460 1.244 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(Cl)cc2)CC1 ZINC000819134915 593740724 /nfs/dbraw/zinc/74/07/24/593740724.db2.gz PBARIPPQUORUDZ-KRWDZBQOSA-N 2 0 325.884 1.989 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)cc1F ZINC000819174093 593742894 /nfs/dbraw/zinc/74/28/94/593742894.db2.gz OHUWKTQHZDHLBC-RCCFBDPRSA-N 2 0 340.414 1.966 20 0 EDADRP C[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810103 593895225 /nfs/dbraw/zinc/89/52/25/593895225.db2.gz OVUPCKSECOQTQS-VQIMIIECSA-N 3 0 346.519 1.986 20 0 EDADRP COc1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1-c1nn[nH]n1 ZINC000821813988 593947215 /nfs/dbraw/zinc/94/72/15/593947215.db2.gz RCBQGMHOWPFSCK-UHFFFAOYSA-N 2 0 346.435 1.077 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160791 593979004 /nfs/dbraw/zinc/97/90/04/593979004.db2.gz QFOAXTPPZHXSKT-OAHLLOKOSA-N 2 0 344.463 1.909 20 0 EDADRP C[NH+]1CCC2(CCCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000822661050 594081469 /nfs/dbraw/zinc/08/14/69/594081469.db2.gz IOEDRCIOBPOBKN-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc(C[C@H]3COCC[NH2+]3)n2)cc1 ZINC000822723374 594091735 /nfs/dbraw/zinc/09/17/35/594091735.db2.gz VDKRUJWGJXDGDH-AWEZNQCLSA-N 2 0 332.404 1.208 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4C[C@H]5C[C@H]5[NH2+]4)n3)c2)CC1 ZINC000822980840 594131467 /nfs/dbraw/zinc/13/14/67/594131467.db2.gz PAAHKFWNLGNSCD-KYOSRNDESA-N 2 0 326.404 1.306 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(F)cncc2F)C[C@H]1C[NH+](C)C ZINC000825148491 594136559 /nfs/dbraw/zinc/13/65/59/594136559.db2.gz YLJVHMMEXMPWDS-VXGBXAGGSA-N 2 0 326.391 1.171 20 0 EDADRP [NH3+]Cc1cccc(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000830900642 594508928 /nfs/dbraw/zinc/50/89/28/594508928.db2.gz LAEHHOLTVUEXST-UHFFFAOYSA-N 2 0 331.460 1.862 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000826628874 594543188 /nfs/dbraw/zinc/54/31/88/594543188.db2.gz GPOAHFKSEXHTHX-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831088768 594553036 /nfs/dbraw/zinc/55/30/36/594553036.db2.gz MIRHHYYCHXVULF-YMAMQOFZSA-N 2 0 325.453 1.180 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000831127135 594563252 /nfs/dbraw/zinc/56/32/52/594563252.db2.gz CUCVPSMEESSYHZ-JFIYKMOQSA-N 2 0 344.459 1.117 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000827430237 594671287 /nfs/dbraw/zinc/67/12/87/594671287.db2.gz ONUGVPSSNOYNNH-SFHVURJKSA-N 2 0 334.508 1.242 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCCCC1 ZINC000841021071 594840712 /nfs/dbraw/zinc/84/07/12/594840712.db2.gz ZBEOVOYQHXOPDY-CQSZACIVSA-N 2 0 344.459 1.261 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000841087240 594849038 /nfs/dbraw/zinc/84/90/38/594849038.db2.gz SAQINSSCODWILV-IBGZPJMESA-N 2 0 332.492 1.690 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H]1CCn2ccnc21)[NH+]1CCOCC1 ZINC000836211864 594939108 /nfs/dbraw/zinc/93/91/08/594939108.db2.gz MOJXPFYTVVXIRO-JKSUJKDBSA-N 2 0 349.479 1.764 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841845899 594964003 /nfs/dbraw/zinc/96/40/03/594964003.db2.gz BAPRRHNDMFLSPD-BBWFWOEESA-N 2 0 345.443 1.922 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846739 594964380 /nfs/dbraw/zinc/96/43/80/594964380.db2.gz MPLJXXKRFPNENP-CJNGLKHVSA-N 2 0 333.432 1.922 20 0 EDADRP O=C(C[NH2+]CC1CC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841847179 594964481 /nfs/dbraw/zinc/96/44/81/594964481.db2.gz RYAZKCCPBYQFPI-UHFFFAOYSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841899158 594977232 /nfs/dbraw/zinc/97/72/32/594977232.db2.gz SVWQXJRELATYPA-LJQANCHMSA-N 2 0 330.476 1.950 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC[NH2+]C(C)C)n3)cn2)CC1 ZINC000843208180 595035563 /nfs/dbraw/zinc/03/55/63/595035563.db2.gz RKQNFVQYAFICSZ-UHFFFAOYSA-N 2 0 344.463 1.814 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000843362977 595088036 /nfs/dbraw/zinc/08/80/36/595088036.db2.gz WASJHOARYJXVRB-HZPDHXFCSA-N 2 0 339.480 1.300 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(Cl)nc1Cl ZINC000842480779 595116894 /nfs/dbraw/zinc/11/68/94/595116894.db2.gz CRHFIESJMYXPPL-UHFFFAOYSA-N 2 0 341.264 1.077 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(F)cc1 ZINC000843457946 595117820 /nfs/dbraw/zinc/11/78/20/595117820.db2.gz XMEYMDNPNCEZIS-INIZCTEOSA-N 2 0 331.395 1.628 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000844170021 595290192 /nfs/dbraw/zinc/29/01/92/595290192.db2.gz FLQOKJSDPUTSHO-JKSUJKDBSA-N 2 0 325.497 1.770 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CO[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000844177845 595293388 /nfs/dbraw/zinc/29/33/88/595293388.db2.gz HYCYHLBUHJVQGE-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@H+](CC(=O)N1CCN(Cc2ccccc2)CC1)C1CCC([NH3+])CC1 ZINC000844220160 595305656 /nfs/dbraw/zinc/30/56/56/595305656.db2.gz AKICAYYJFDFOEK-UHFFFAOYSA-N 2 0 344.503 1.533 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221130 595306174 /nfs/dbraw/zinc/30/61/74/595306174.db2.gz WBZXIGWPNHDRMT-GOSISDBHSA-N 2 0 348.491 1.767 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000844223369 595308161 /nfs/dbraw/zinc/30/81/61/595308161.db2.gz VLIMUWVWMATYIK-HRCADAONSA-N 2 0 328.460 1.765 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)cc1 ZINC000844911249 595412699 /nfs/dbraw/zinc/41/26/99/595412699.db2.gz ATWAPUSWSFJRSD-KSSFIOAISA-N 2 0 344.415 1.164 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)o1 ZINC000848893079 595464411 /nfs/dbraw/zinc/46/44/11/595464411.db2.gz OYVNVAPTLFPJCV-SREVYHEPSA-N 2 0 335.448 1.581 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000848893361 595464438 /nfs/dbraw/zinc/46/44/38/595464438.db2.gz VCRVWYOFLWIRSX-BQYQJAHWSA-N 2 0 335.448 1.583 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(/C=C/C(=O)OC)o2)CC1 ZINC000848915387 595467214 /nfs/dbraw/zinc/46/72/14/595467214.db2.gz VSYVBNSZGKMIKO-CMDGGOBGSA-N 2 0 349.475 1.972 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065096 595476955 /nfs/dbraw/zinc/47/69/55/595476955.db2.gz OPDFKMZHBCNETF-HOCLYGCPSA-N 2 0 349.454 1.068 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nnc(-c2ccc(F)cc2)[nH]1 ZINC000849099070 595481913 /nfs/dbraw/zinc/48/19/13/595481913.db2.gz GATJPFGOCHXNSH-AWEZNQCLSA-N 2 0 345.426 1.709 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000849104849 595482700 /nfs/dbraw/zinc/48/27/00/595482700.db2.gz ZCGHYFPPGGNNRK-ZHALLVOQSA-N 2 0 348.466 1.890 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](CO)c1ccc(OC)cc1 ZINC000849117111 595484436 /nfs/dbraw/zinc/48/44/36/595484436.db2.gz YSIQAPHJONBZNM-HOTGVXAUSA-N 2 0 334.464 1.369 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000852830293 595564637 /nfs/dbraw/zinc/56/46/37/595564637.db2.gz TUWNPAGVIHHNKM-BBRMVZONSA-N 2 0 325.416 1.103 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000852857374 595579106 /nfs/dbraw/zinc/57/91/06/595579106.db2.gz QXGLQYRPLLSLRP-WBVHZDCISA-N 2 0 348.447 1.298 20 0 EDADRP CC(C)(CNC(=O)C1=NO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000852858502 595580019 /nfs/dbraw/zinc/58/00/19/595580019.db2.gz FGHKGAPTMHASMZ-HNNXBMFYSA-N 2 0 330.432 1.043 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC(C)(C)C[NH+]2CCCC2)cn1 ZINC000849602803 595590401 /nfs/dbraw/zinc/59/04/01/595590401.db2.gz QWCQGWJUOXYSRH-DLBZAZTESA-N 2 0 347.507 1.446 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849608269 595594420 /nfs/dbraw/zinc/59/44/20/595594420.db2.gz NRPOWYPQNWQLKO-ROUUACIJSA-N 2 0 349.523 1.550 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000852906535 595608974 /nfs/dbraw/zinc/60/89/74/595608974.db2.gz HPWMUPMQAGURDI-IKGGRYGDSA-N 2 0 335.423 1.156 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CCC2SCCS2)C1)[C@@H]1CCC[NH2+]1 ZINC000853023186 595643970 /nfs/dbraw/zinc/64/39/70/595643970.db2.gz PJISTNSRNCFDNJ-KGLIPLIRSA-N 2 0 343.562 1.763 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(C)nn(C)c2Cl)CC1 ZINC000853247721 595719610 /nfs/dbraw/zinc/71/96/10/595719610.db2.gz YRWJJNIIAIXXJO-UHFFFAOYSA-N 2 0 341.887 1.462 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851672751 595879193 /nfs/dbraw/zinc/87/91/93/595879193.db2.gz FKQBDYHCKQONOB-IWCQGFGOSA-N 2 0 332.423 1.275 20 0 EDADRP CC(C)(C)OC(=O)N1CC2(C1)CC[C@@H](C[N@H+]1C[C@H]3C[NH2+]C[C@H]3C1)O2 ZINC000851732546 595901175 /nfs/dbraw/zinc/90/11/75/595901175.db2.gz SYVJJDROSDKNRJ-ZNMIVQPWSA-N 2 0 337.464 1.306 20 0 EDADRP C[C@@H]1CN=C(N2CCN(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)S1 ZINC000851852865 595947856 /nfs/dbraw/zinc/94/78/56/595947856.db2.gz QTZSDWFTIVOARH-QLFBSQMISA-N 2 0 326.510 1.205 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214226 596006867 /nfs/dbraw/zinc/00/68/67/596006867.db2.gz ODSCNVSOZNMZJZ-KRWDZBQOSA-N 2 0 346.519 1.733 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC3OCCO3)C2)ccn1 ZINC000856585471 596022971 /nfs/dbraw/zinc/02/29/71/596022971.db2.gz GGXQFWVAEREHCD-KRWDZBQOSA-N 2 0 335.448 1.749 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000861765040 596094918 /nfs/dbraw/zinc/09/49/18/596094918.db2.gz KAZORSKKJNYDBR-KBPBESRZSA-N 2 0 334.464 1.038 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000861768604 596095869 /nfs/dbraw/zinc/09/58/69/596095869.db2.gz MASLXTKKTPJIQF-LSDHHAIUSA-N 2 0 346.475 1.134 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3N3CCCC3)CC[C@@H]21 ZINC000868765407 596299030 /nfs/dbraw/zinc/29/90/30/596299030.db2.gz TZRFFQGBUHQVEW-IRXDYDNUSA-N 2 0 343.475 1.917 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000866809938 596358463 /nfs/dbraw/zinc/35/84/63/596358463.db2.gz QTZRHXDQNTUGFA-MUJYYYPQSA-N 2 0 337.489 1.557 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[NH2+]CC2CC2)CC1 ZINC000870923660 596407186 /nfs/dbraw/zinc/40/71/86/596407186.db2.gz NABDPRKDZIZABQ-CALCHBBNSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000870936992 596411857 /nfs/dbraw/zinc/41/18/57/596411857.db2.gz RNYDWUPNDYHVOW-JIMOISOXSA-N 2 0 326.238 1.645 20 0 EDADRP O=C([C@@H]1CCCN(CC(F)F)C1)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000867857938 596588424 /nfs/dbraw/zinc/58/84/24/596588424.db2.gz PPUGBQGSPJFNSR-MGPQQGTHSA-N 2 0 333.398 1.608 20 0 EDADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863553609 596616245 /nfs/dbraw/zinc/61/62/45/596616245.db2.gz GMWPRUVNAPFQAI-LSDHHAIUSA-N 2 0 327.469 1.336 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000867965653 596637707 /nfs/dbraw/zinc/63/77/07/596637707.db2.gz GUFMKOQHLQSRLC-CWSCBRNRSA-N 2 0 326.238 1.658 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=S)NC[C@@H]1CCC[N@@H+]1CC ZINC000871688721 596672467 /nfs/dbraw/zinc/67/24/67/596672467.db2.gz QQQJMSPRYLQIFC-CABCVRRESA-N 2 0 328.526 1.046 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000865818759 596696857 /nfs/dbraw/zinc/69/68/57/596696857.db2.gz ZSBLVLSMPHHYDT-OAHLLOKOSA-N 2 0 339.505 1.600 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cccc(O)c2)C[C@H]1C[NH+](C)C ZINC000870016654 596709006 /nfs/dbraw/zinc/70/90/06/596709006.db2.gz SQNPHLPKBYLAHA-MGSINWNPSA-N 2 0 331.460 1.603 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cn2cnc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870019303 596710880 /nfs/dbraw/zinc/71/08/80/596710880.db2.gz DBEHXOJRQZJXLD-HZPDHXFCSA-N 2 0 343.475 1.234 20 0 EDADRP COC(=O)c1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870023020 596713070 /nfs/dbraw/zinc/71/30/70/596713070.db2.gz ISPZJFDVPQNWPT-IAGOWNOFSA-N 2 0 347.459 1.285 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3n[nH]cc3c2)C[C@H]1C[NH+](C)C ZINC000870023773 596714089 /nfs/dbraw/zinc/71/40/89/596714089.db2.gz MJMPWRMXLXZYDA-HZPDHXFCSA-N 2 0 329.448 1.374 20 0 EDADRP CCc1ccccc1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870025816 596714724 /nfs/dbraw/zinc/71/47/24/596714724.db2.gz YWXAPUMBZXYKTR-QZTJIDSGSA-N 2 0 347.503 1.826 20 0 EDADRP Cc1ccc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870025053 596714770 /nfs/dbraw/zinc/71/47/70/596714770.db2.gz XZIQHWBVROUHOY-IAGOWNOFSA-N 2 0 333.476 1.572 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868227851 596735485 /nfs/dbraw/zinc/73/54/85/596735485.db2.gz SEWWVSVDFLMYQS-DLBZAZTESA-N 2 0 344.459 1.240 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+]1C ZINC000868237798 596740029 /nfs/dbraw/zinc/74/00/29/596740029.db2.gz NDSGIIZVYVZDAK-NKKGCODLSA-N 2 0 344.459 1.381 20 0 EDADRP COc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000866042218 596770042 /nfs/dbraw/zinc/77/00/42/596770042.db2.gz USWWAMQQNKEVJC-HUUCEWRRSA-N 2 0 334.464 1.898 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)c1 ZINC000866055285 596773675 /nfs/dbraw/zinc/77/36/75/596773675.db2.gz TWHOXYPVUBHRJP-GOSISDBHSA-N 2 0 334.464 1.669 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@H](CC[N@H+]4C)C3)nc12 ZINC000868330992 596788997 /nfs/dbraw/zinc/78/89/97/596788997.db2.gz PMPWOQKPTJIZAS-NVXWUHKLSA-N 2 0 341.459 1.921 20 0 EDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000872146769 596809980 /nfs/dbraw/zinc/80/99/80/596809980.db2.gz WZQZIGAZDMAMOQ-BRWVUGGUSA-N 2 0 325.497 1.637 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156267 596816253 /nfs/dbraw/zinc/81/62/53/596816253.db2.gz HDHSXWFLQXRLHY-SQWLQELKSA-N 2 0 338.496 1.840 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@]3(C[NH3+])CCCOC3)n2)c1 ZINC000872175817 596821605 /nfs/dbraw/zinc/82/16/05/596821605.db2.gz SZKHVHTTZISNKO-SFHVURJKSA-N 2 0 346.431 1.684 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])CC1 ZINC000872188608 596826738 /nfs/dbraw/zinc/82/67/38/596826738.db2.gz XNUZZXOSVMPPHW-UHFFFAOYSA-N 2 0 340.512 1.297 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000872255824 596856264 /nfs/dbraw/zinc/85/62/64/596856264.db2.gz GMFRBLULYUFESF-FGBSKUFISA-N 2 0 343.427 1.661 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCC2(F)CCC2)C[C@H]1C[NH+](C)C ZINC000875583177 596905478 /nfs/dbraw/zinc/90/54/78/596905478.db2.gz IHHCFJINDAOMJH-HUUCEWRRSA-N 2 0 328.476 1.650 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CS1 ZINC000875666907 596939679 /nfs/dbraw/zinc/93/96/79/596939679.db2.gz IMJIPBOYVTZWIR-GBJTYRQASA-N 2 0 328.526 1.261 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)[C@@H](C3CC3)[C@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000872636529 597003143 /nfs/dbraw/zinc/00/31/43/597003143.db2.gz QIDWMTIYJYGCHN-AKHDSKFASA-N 2 0 348.535 1.262 20 0 EDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCCO[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000873211002 597229137 /nfs/dbraw/zinc/22/91/37/597229137.db2.gz GLJCMMZTMQSXKF-GJZGRUSLSA-N 2 0 329.485 1.833 20 0 EDADRP C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1cccc(S(N)(=O)=O)c1 ZINC000873237113 597236010 /nfs/dbraw/zinc/23/60/10/597236010.db2.gz MPVOMYBDORPDPS-JSGCOSHPSA-N 2 0 325.478 1.763 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250314 597240521 /nfs/dbraw/zinc/24/05/21/597240521.db2.gz QRIBUNDHTADWKH-HOTGVXAUSA-N 2 0 330.432 1.346 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2cccnc21 ZINC000873261142 597242028 /nfs/dbraw/zinc/24/20/28/597242028.db2.gz BFLPQBXPEXDWFQ-KZNAEPCWSA-N 2 0 328.460 1.863 20 0 EDADRP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000873282202 597248102 /nfs/dbraw/zinc/24/81/02/597248102.db2.gz GIVXFXCOCTWPCT-HBNTYKKESA-N 2 0 332.313 1.905 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C[NH+]1CCCCC1 ZINC000875127550 597293232 /nfs/dbraw/zinc/29/32/32/597293232.db2.gz MCOYIZAYDAPKCF-HOTGVXAUSA-N 2 0 340.512 1.253 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000875152614 597304443 /nfs/dbraw/zinc/30/44/43/597304443.db2.gz TWQFBQWCKIXKGD-INIZCTEOSA-N 2 0 326.485 1.080 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+]1CCCCC1 ZINC000876721123 597304760 /nfs/dbraw/zinc/30/47/60/597304760.db2.gz GNHQLEIEPSSVIA-DLBZAZTESA-N 2 0 348.491 1.227 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc(C2CC[NH2+]CC2)n1 ZINC000876729721 597309404 /nfs/dbraw/zinc/30/94/04/597309404.db2.gz VFMIEZPOUDGBBG-ZFWWWQNUSA-N 2 0 334.489 1.967 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H](N)C[NH+](C)C)cc1Cl ZINC000876734993 597313303 /nfs/dbraw/zinc/31/33/03/597313303.db2.gz BUGVNYXDDFOGRW-ZDUSSCGKSA-N 2 0 328.844 1.108 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876739331 597316092 /nfs/dbraw/zinc/31/60/92/597316092.db2.gz ORZDIXGOKIYARA-CYBMUJFWSA-N 2 0 347.488 1.582 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000876881523 597368752 /nfs/dbraw/zinc/36/87/52/597368752.db2.gz ITXSZOIIWDYMMZ-UHFFFAOYSA-N 2 0 327.432 1.769 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000877008934 597410602 /nfs/dbraw/zinc/41/06/02/597410602.db2.gz COSTUTDNLPGPLI-APWZRJJASA-N 2 0 344.459 1.449 20 0 EDADRP O=C(C[NH+]1CCCC1)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000873842499 597415470 /nfs/dbraw/zinc/41/54/70/597415470.db2.gz FGSDZFJMBYLYBG-UHFFFAOYSA-N 2 0 330.476 1.016 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC(F)(F)CC2)C[C@H]1C[NH+](C)C ZINC000875432967 597426371 /nfs/dbraw/zinc/42/63/71/597426371.db2.gz JRYHBGPIUXQKTL-ZIAGYGMSSA-N 2 0 346.466 1.945 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000877116185 597436557 /nfs/dbraw/zinc/43/65/57/597436557.db2.gz LCQZLSWHHCPVKA-SFHVURJKSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877143309 597442322 /nfs/dbraw/zinc/44/23/22/597442322.db2.gz LGLBMTKINIMKNJ-LMMKCTJWSA-N 3 0 344.503 1.071 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877144765 597442661 /nfs/dbraw/zinc/44/26/61/597442661.db2.gz VJZVVFSNIAWSLA-BMGDILEWSA-N 3 0 332.492 1.518 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCCS2)C[C@H]1C[NH+](C)C ZINC000875481922 597446891 /nfs/dbraw/zinc/44/68/91/597446891.db2.gz RZEIWSMIZPIVPN-BZUAXINKSA-N 2 0 342.553 1.653 20 0 EDADRP CCOC1CC2(C[C@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000877199532 597459887 /nfs/dbraw/zinc/45/98/87/597459887.db2.gz VFXAIVGIWOWEJH-CSLYMUCUSA-N 2 0 330.432 1.635 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)CO[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000877221934 597465990 /nfs/dbraw/zinc/46/59/90/597465990.db2.gz UKOWNFUOTPYBAM-ZWKOTPCHSA-N 2 0 331.460 1.454 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000877240989 597475792 /nfs/dbraw/zinc/47/57/92/597475792.db2.gz IJKHHBFSPRYIDS-DMUMMCEESA-N 2 0 343.471 1.379 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257929 597481900 /nfs/dbraw/zinc/48/19/00/597481900.db2.gz UOPOIUKJFPZKFM-FXAWDEMLSA-N 2 0 346.519 1.669 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H]1C(F)(F)F ZINC000877358347 597500616 /nfs/dbraw/zinc/50/06/16/597500616.db2.gz BMGOWJLZKGHOMM-YPJKKVEASA-N 2 0 333.398 1.736 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cn(C2CC[NH2+]CC2)nn1 ZINC000877401474 597510379 /nfs/dbraw/zinc/51/03/79/597510379.db2.gz FYYFPNILYPMNFL-INIZCTEOSA-N 2 0 346.479 1.245 20 0 EDADRP CNC(=O)c1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877669491 597546488 /nfs/dbraw/zinc/54/64/88/597546488.db2.gz LNKQRCKHFSJZAE-QZTJIDSGSA-N 2 0 332.492 1.217 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000878346269 597597051 /nfs/dbraw/zinc/59/70/51/597597051.db2.gz FVOGAZANPMMRCY-AWEZNQCLSA-N 2 0 342.447 1.128 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882981146 597606247 /nfs/dbraw/zinc/60/62/47/597606247.db2.gz CZQRLVDFNCGIAB-UHFFFAOYSA-N 2 0 333.432 1.749 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)COCc2ccccc2)CC1 ZINC000878551463 597632153 /nfs/dbraw/zinc/63/21/53/597632153.db2.gz QZLUKBXYZXKVQT-UHFFFAOYSA-N 2 0 333.476 1.782 20 0 EDADRP C[NH+]1CC[C@@H]2CN(CCCCN3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879578553 597640746 /nfs/dbraw/zinc/64/07/46/597640746.db2.gz UOAUPVGTUXSCLT-IYWMVGAKSA-N 2 0 334.552 1.819 20 0 EDADRP C[C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000883332454 597716375 /nfs/dbraw/zinc/71/63/75/597716375.db2.gz VTIKTNQXZCAZMI-AWEZNQCLSA-N 2 0 338.496 1.412 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC(C)([NH+]2CCCCC2)CC1 ZINC000879950971 597780955 /nfs/dbraw/zinc/78/09/55/597780955.db2.gz FTRFDCMIMVHQIJ-QGZVFWFLSA-N 2 0 327.513 1.266 20 0 EDADRP O=C(NCC[NH2+]C1CC1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586010 597814195 /nfs/dbraw/zinc/81/41/95/597814195.db2.gz CQZHNJBLGSJPNH-GOSISDBHSA-N 2 0 343.475 1.845 20 0 EDADRP CN(CCS(N)(=O)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000880085464 597837035 /nfs/dbraw/zinc/83/70/35/597837035.db2.gz OLWSOPZYHMWFEJ-UHFFFAOYSA-N 2 0 325.478 1.393 20 0 EDADRP CC(C)(O)[C@@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147602 597856944 /nfs/dbraw/zinc/85/69/44/597856944.db2.gz XWROPRYBMFWPTJ-IYBDPMFKSA-N 2 0 328.497 1.189 20 0 EDADRP NC(=O)C1([NH+]2CCCCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000880254039 597884075 /nfs/dbraw/zinc/88/40/75/597884075.db2.gz KXUSFHIXRZBVDU-UHFFFAOYSA-N 2 0 336.524 1.668 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000884185642 598018574 /nfs/dbraw/zinc/01/85/74/598018574.db2.gz BPEWVAJXPLDDCU-GOSISDBHSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884197906 598025259 /nfs/dbraw/zinc/02/52/59/598025259.db2.gz IIJSYEICJPLRTP-HOTGVXAUSA-N 2 0 343.475 1.786 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000884239552 598039528 /nfs/dbraw/zinc/03/95/28/598039528.db2.gz WMIZRAIXMHXALC-GOSISDBHSA-N 2 0 331.460 1.889 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000884284799 598054574 /nfs/dbraw/zinc/05/45/74/598054574.db2.gz SAQSCQXJJJPERR-SFHVURJKSA-N 2 0 339.439 1.902 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000884470490 598114394 /nfs/dbraw/zinc/11/43/94/598114394.db2.gz PTXMLDIDLFUEQD-DUFGSWQCSA-N 2 0 326.444 1.685 20 0 EDADRP C[C@H]([NH3+])c1cn([C@@H](C)C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000881278509 598115976 /nfs/dbraw/zinc/11/59/76/598115976.db2.gz WVWFSGXOAJPYNW-OFQRWUPVSA-N 2 0 342.447 1.250 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000914247266 695309249 /nfs/dbraw/zinc/30/92/49/695309249.db2.gz BAILFEBZTWWLFS-UHFFFAOYSA-N 2 0 331.464 1.821 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1)C[NH+](C)C ZINC000914314523 695352023 /nfs/dbraw/zinc/35/20/23/695352023.db2.gz XKPICZQHKJRWCQ-LZLYRXPVSA-N 2 0 342.528 1.763 20 0 EDADRP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992925115 695456891 /nfs/dbraw/zinc/45/68/91/695456891.db2.gz ZVWLNFXPMBSRFA-BRWVUGGUSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2ccon2)C1)C12CCC[NH+]1CCC2 ZINC000995018408 700010385 /nfs/dbraw/zinc/01/03/85/700010385.db2.gz ZPARQQRZNNDYAJ-CABCVRRESA-N 2 0 332.448 1.678 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3CCO[C@H](C)C3)C2)CC1 ZINC001031188139 695709181 /nfs/dbraw/zinc/70/91/81/695709181.db2.gz CLBAEMQFHQCHGV-HZPDHXFCSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCOC1CCC1 ZINC000993759669 696352301 /nfs/dbraw/zinc/35/23/01/696352301.db2.gz MCAGODVMRNSELA-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1CCO ZINC000993800748 696377963 /nfs/dbraw/zinc/37/79/63/696377963.db2.gz AXFTZCWGTXOOMX-MAUKXSAKSA-N 2 0 333.476 1.366 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000994260063 696672764 /nfs/dbraw/zinc/67/27/64/696672764.db2.gz XKELOSPBVWIFER-WBVHZDCISA-N 2 0 345.491 1.028 20 0 EDADRP C[C@@H](O)C[NH+]1CCC2(CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001040821935 697069895 /nfs/dbraw/zinc/06/98/95/697069895.db2.gz JTPJWSBZGXYENP-BBWFWOEESA-N 2 0 337.508 1.412 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2cccc(F)c2)C1 ZINC001031584586 697280122 /nfs/dbraw/zinc/28/01/22/697280122.db2.gz GLBYTHWUIINJJW-SFHVURJKSA-N 2 0 333.451 1.901 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000920403726 697426665 /nfs/dbraw/zinc/42/66/65/697426665.db2.gz GXHXLLFINHVSNT-PVAVHDDUSA-N 2 0 333.480 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031666880 697452371 /nfs/dbraw/zinc/45/23/71/697452371.db2.gz SUKHQJHFCUXBMC-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1 ZINC001031686678 697517250 /nfs/dbraw/zinc/51/72/50/697517250.db2.gz RYPVCXKLCSTURM-WBMJQRKESA-N 2 0 337.443 1.586 20 0 EDADRP C[C@H](NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)C(C)(C)C[NH+](C)C ZINC000921387875 697587488 /nfs/dbraw/zinc/58/74/88/697587488.db2.gz TXYDLLKQZPIIJA-KKUMJFAQSA-N 2 0 342.553 1.842 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000354921437 700167041 /nfs/dbraw/zinc/16/70/41/700167041.db2.gz ZHUBSUOWBRKDDH-YESZJQIVSA-N 2 0 325.497 1.676 20 0 EDADRP CO[C@H](C)C[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031706940 697694805 /nfs/dbraw/zinc/69/48/05/697694805.db2.gz MEVVRRFRVFONBU-GFCCVEGCSA-N 2 0 325.478 1.506 20 0 EDADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943518494 698433665 /nfs/dbraw/zinc/43/36/65/698433665.db2.gz SWCYPMBICKOAOH-FUHWJXTLSA-N 2 0 347.507 1.851 20 0 EDADRP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765228 698814189 /nfs/dbraw/zinc/81/41/89/698814189.db2.gz BQIMEMQCLSXSMV-DOTOQJQBSA-N 2 0 342.443 1.858 20 0 EDADRP O=C(NCC1C[NH+](CCn2cccn2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118382 698988133 /nfs/dbraw/zinc/98/81/33/698988133.db2.gz DSKJENMZXJVXAJ-UHFFFAOYSA-N 2 0 345.491 1.053 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](C)OC)C1 ZINC001032119269 699002154 /nfs/dbraw/zinc/00/21/54/699002154.db2.gz KQSCEAWFHYZHRO-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766559 699063923 /nfs/dbraw/zinc/06/39/23/699063923.db2.gz KZDDELKABHPMLC-SJLPKXTDSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939063879 699131200 /nfs/dbraw/zinc/13/12/00/699131200.db2.gz NQEXMYNIMGGLAX-QAPCUYQASA-N 2 0 347.507 1.742 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031775870 699148133 /nfs/dbraw/zinc/14/81/33/699148133.db2.gz BEIIRJMDXFXIJX-QZTJIDSGSA-N 2 0 331.460 1.252 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H](O)C2CCCCC2)C1 ZINC001031776829 699169572 /nfs/dbraw/zinc/16/95/72/699169572.db2.gz PJIJFSBGGYXOLC-MSOLQXFVSA-N 2 0 337.508 1.460 20 0 EDADRP CC1CC(C[NH+]2CC(N3CCN(C(=O)C4CC[NH+](C)CC4)CC3)C2)C1 ZINC000941545122 701575990 /nfs/dbraw/zinc/57/59/90/701575990.db2.gz NAYRSXQPAACAAU-UHFFFAOYSA-N 2 0 348.535 1.203 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129771 699227224 /nfs/dbraw/zinc/22/72/24/699227224.db2.gz ZHARRKBPPGBUTB-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567374 701579777 /nfs/dbraw/zinc/57/97/77/701579777.db2.gz SEALGGKYIHTLFN-SJORKVTESA-N 2 0 336.524 1.203 20 0 EDADRP c1[nH]nc2c1[C@H]([NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000353499155 699347269 /nfs/dbraw/zinc/34/72/69/699347269.db2.gz TWSREAYJSFUXQP-GOSISDBHSA-N 2 0 340.475 1.984 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939259926 699438008 /nfs/dbraw/zinc/43/80/08/699438008.db2.gz XLUBPSRQBMYNJX-MAUKXSAKSA-N 2 0 347.507 1.131 20 0 EDADRP CN(C(=O)c1[nH]nc2c1C[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000446418025 699482807 /nfs/dbraw/zinc/48/28/07/699482807.db2.gz MNIYBTGJMXJBQA-HNNXBMFYSA-N 2 0 339.443 1.402 20 0 EDADRP Cc1cnc([C@@H](C)N2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001031813678 699502922 /nfs/dbraw/zinc/50/29/22/699502922.db2.gz XXRVQSGDEUMSRW-OAHLLOKOSA-N 2 0 343.475 1.522 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939398634 699547881 /nfs/dbraw/zinc/54/78/81/699547881.db2.gz PMFMPOCJMSAVGC-HOCLYGCPSA-N 2 0 336.505 1.812 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639731 701603265 /nfs/dbraw/zinc/60/32/65/701603265.db2.gz XNLKTUFHPCMHEE-IAGOWNOFSA-N 2 0 336.524 1.203 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939550666 699699910 /nfs/dbraw/zinc/69/99/10/699699910.db2.gz NTCANBDFLVMLFP-TZMCWYRMSA-N 2 0 327.419 1.564 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC000995165428 701610671 /nfs/dbraw/zinc/61/06/71/701610671.db2.gz DROBXBJIWQXBGB-GJZGRUSLSA-N 2 0 348.516 1.922 20 0 EDADRP Cn1nccc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003264 699886650 /nfs/dbraw/zinc/88/66/50/699886650.db2.gz AEZTYZKLXXAXQQ-CVEARBPZSA-N 2 0 345.491 1.423 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C)sn1 ZINC000939748780 699895327 /nfs/dbraw/zinc/89/53/27/699895327.db2.gz RBIPEBPEUZWDJG-FZMZJTMJSA-N 2 0 349.460 1.293 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939754147 699904281 /nfs/dbraw/zinc/90/42/81/699904281.db2.gz LJSMPQXNOTUZMN-MAUKXSAKSA-N 2 0 333.451 1.901 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939759220 699926553 /nfs/dbraw/zinc/92/65/53/699926553.db2.gz MBCFTIVHULGUCZ-NVXWUHKLSA-N 2 0 333.480 1.496 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)nn1C ZINC000939809197 699957748 /nfs/dbraw/zinc/95/77/48/699957748.db2.gz IMVRGGDWAQFQCD-CRAIPNDOSA-N 2 0 347.507 1.541 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000940150328 700263724 /nfs/dbraw/zinc/26/37/24/700263724.db2.gz WRGHMGUXWQLQRT-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000940148642 700281484 /nfs/dbraw/zinc/28/14/84/700281484.db2.gz BYFXKZJZOUHUHJ-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)sn1 ZINC000995166686 701629616 /nfs/dbraw/zinc/62/96/16/701629616.db2.gz HBAKTRJIKWUPBK-GJZGRUSLSA-N 2 0 348.516 1.922 20 0 EDADRP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000940200259 700358409 /nfs/dbraw/zinc/35/84/09/700358409.db2.gz HLRPSJCLAOIOLP-OAHLLOKOSA-N 2 0 342.443 1.955 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(C)n(C)n2)CC1)[NH+](C)C ZINC000940337432 700495062 /nfs/dbraw/zinc/49/50/62/700495062.db2.gz LSJFLMSGMKFITD-INIZCTEOSA-N 2 0 335.496 1.539 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328025 700505650 /nfs/dbraw/zinc/50/56/50/700505650.db2.gz CPXIPRMNENOUCS-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940328366 700506191 /nfs/dbraw/zinc/50/61/91/700506191.db2.gz HUHAISUTMRVIGJ-HOCLYGCPSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)co1 ZINC000940329491 700508913 /nfs/dbraw/zinc/50/89/13/700508913.db2.gz UQNWTGRWGNIGCC-AWEZNQCLSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940329580 700509089 /nfs/dbraw/zinc/50/90/89/700509089.db2.gz VRWLUQHJRGPTNI-CXAGYDPISA-N 2 0 348.491 1.960 20 0 EDADRP CC1([NH2+]C[C@H]2CCCOC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427897 700621867 /nfs/dbraw/zinc/62/18/67/700621867.db2.gz QVKGLJSYDOJKAZ-MRXNPFEDSA-N 2 0 335.492 1.480 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940472290 700657565 /nfs/dbraw/zinc/65/75/65/700657565.db2.gz QNZHGFOHPZUZTP-GASCZTMLSA-N 2 0 348.495 1.159 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC000940457766 700661626 /nfs/dbraw/zinc/66/16/26/700661626.db2.gz SVQULZACDVMDIQ-MRXNPFEDSA-N 2 0 346.475 1.513 20 0 EDADRP CCn1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081397 700711028 /nfs/dbraw/zinc/71/10/28/700711028.db2.gz UVPRLKIZSIROMZ-ZBFHGGJFSA-N 2 0 348.495 1.014 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082463 700725025 /nfs/dbraw/zinc/72/50/25/700725025.db2.gz YTBDOAXVIPKWNG-ZBFHGGJFSA-N 2 0 333.480 1.136 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC000940621800 700783272 /nfs/dbraw/zinc/78/32/72/700783272.db2.gz VNFOXHLHMAVEFZ-IRXDYDNUSA-N 2 0 330.476 1.893 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC000940621796 700783320 /nfs/dbraw/zinc/78/33/20/700783320.db2.gz VNFOXHLHMAVEFZ-DLBZAZTESA-N 2 0 330.476 1.893 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)cn1 ZINC000995102602 700910445 /nfs/dbraw/zinc/91/04/45/700910445.db2.gz INAYNPHIVFKLAK-NVXWUHKLSA-N 2 0 347.507 1.527 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001031916625 701007378 /nfs/dbraw/zinc/00/73/78/701007378.db2.gz CLCQNKRQHOJXQK-SJLPKXTDSA-N 2 0 337.508 1.583 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1)OC ZINC000941002890 701036574 /nfs/dbraw/zinc/03/65/74/701036574.db2.gz PMGOXIOYYBCVAU-IRXDYDNUSA-N 2 0 339.524 1.970 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2C[NH+](CCc3cnn(C)c3)C2)C1 ZINC001031919272 701043712 /nfs/dbraw/zinc/04/37/12/701043712.db2.gz QKRQPEHMQUARGY-GOSISDBHSA-N 2 0 347.507 1.133 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cncn2C)CC1(C)C ZINC000941033711 701076765 /nfs/dbraw/zinc/07/67/65/701076765.db2.gz SNCVTSXKJOREFC-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CCc3ccns3)C2)CC[N@@H+]1C ZINC001031926188 701138370 /nfs/dbraw/zinc/13/83/70/701138370.db2.gz XAMPUOSTQGIJEO-ZFWWWQNUSA-N 2 0 336.505 1.464 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941162882 701227580 /nfs/dbraw/zinc/22/75/80/701227580.db2.gz AWOSNDITGRLILU-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP CCCS(=O)(=O)CCN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182974301 701399102 /nfs/dbraw/zinc/39/91/02/701399102.db2.gz LOUZVMPMRWEUDI-UHFFFAOYSA-N 2 0 346.537 1.636 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC000999170444 706600036 /nfs/dbraw/zinc/60/00/36/706600036.db2.gz QOQVFLGTPLEZKC-MOPGFXCFSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999170733 706600254 /nfs/dbraw/zinc/60/02/54/706600254.db2.gz RSINOLDAWMCOFH-RBUKOAKNSA-N 2 0 342.487 1.812 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001031948506 701516904 /nfs/dbraw/zinc/51/69/04/701516904.db2.gz DSLYAGITDADQSL-LJQANCHMSA-N 2 0 345.487 1.764 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941430833 701537732 /nfs/dbraw/zinc/53/77/32/701537732.db2.gz DBXGOWASZUGDEK-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000941455147 701548579 /nfs/dbraw/zinc/54/85/79/701548579.db2.gz LPSCGVAYAXDGII-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999177191 706619894 /nfs/dbraw/zinc/61/98/94/706619894.db2.gz XIMRMWISLVHMPM-OALUTQOASA-N 2 0 349.519 1.726 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000999177761 706621181 /nfs/dbraw/zinc/62/11/81/706621181.db2.gz ZAKJWLWZERDYPB-GDBMZVCRSA-N 2 0 348.447 1.106 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)CCO1 ZINC001032133895 701888814 /nfs/dbraw/zinc/88/88/14/701888814.db2.gz NAIHEACMDWBWDP-HUUCEWRRSA-N 2 0 346.475 1.624 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189546 706632069 /nfs/dbraw/zinc/63/20/69/706632069.db2.gz LHDCLXDUTBDHFR-DJIMGWMZSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031980590 702139478 /nfs/dbraw/zinc/13/94/78/702139478.db2.gz WERAXJFASQJAJP-APWZRJJASA-N 2 0 329.488 1.783 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995892849 702193536 /nfs/dbraw/zinc/19/35/36/702193536.db2.gz GIEHPDDSIBXIBU-OAHLLOKOSA-N 2 0 333.480 1.231 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CC1CC1 ZINC000995900531 702206113 /nfs/dbraw/zinc/20/61/13/702206113.db2.gz YHTVRRLQEKBDSD-ZWKOTPCHSA-N 2 0 349.519 1.866 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999204173 706649707 /nfs/dbraw/zinc/64/97/07/706649707.db2.gz DEXSFKZKHJRTEE-IXDOHACOSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995883617 702217220 /nfs/dbraw/zinc/21/72/20/702217220.db2.gz CYUPFZLOVPDREA-HNNXBMFYSA-N 2 0 334.464 1.794 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CC1 ZINC000995891171 702233697 /nfs/dbraw/zinc/23/36/97/702233697.db2.gz CMLFLLBDEACVOE-IAGOWNOFSA-N 2 0 330.476 1.748 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nccn2CC)C(C)(C)C1)[NH+](C)C ZINC000995949532 702296718 /nfs/dbraw/zinc/29/67/18/702296718.db2.gz NLQOLOIFYVWBMB-HUUCEWRRSA-N 2 0 335.496 1.570 20 0 EDADRP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186007 702313674 /nfs/dbraw/zinc/31/36/74/702313674.db2.gz FUHXHZCPVJFCIO-LJQANCHMSA-N 2 0 329.488 1.791 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995981903 702340983 /nfs/dbraw/zinc/34/09/83/702340983.db2.gz OEUPLJXHNMKMOT-CABCVRRESA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)on1 ZINC000995984925 702345941 /nfs/dbraw/zinc/34/59/41/702345941.db2.gz VZBUURYUPPNNCA-HOTGVXAUSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995986438 702348080 /nfs/dbraw/zinc/34/80/80/702348080.db2.gz YHXVWYFJUCXBLY-CVEARBPZSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cnc(CN2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)nc1 ZINC000944167542 702406069 /nfs/dbraw/zinc/40/60/69/702406069.db2.gz DVODJSLDLAIKLI-CVEARBPZSA-N 2 0 343.475 1.207 20 0 EDADRP CC(C)(C(=O)N1C[C@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996126988 702558454 /nfs/dbraw/zinc/55/84/54/702558454.db2.gz LYBUWIFZPNDLQY-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996133717 702564340 /nfs/dbraw/zinc/56/43/40/702564340.db2.gz JBQPOUHSBSHGEZ-HNNXBMFYSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC[C@H]3CCCO3)C(C)(C)C2)CC1 ZINC000996221974 702632767 /nfs/dbraw/zinc/63/27/67/702632767.db2.gz LKKLBKZGNGSUNW-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995206263 702651178 /nfs/dbraw/zinc/65/11/78/702651178.db2.gz DALOEHBIZGVKNI-PBHICJAKSA-N 2 0 334.439 1.691 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3ccccn3)C(C)(C)C2)CC1 ZINC000996250232 702652668 /nfs/dbraw/zinc/65/26/68/702652668.db2.gz UFFGIGFCWVEZTB-KRWDZBQOSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1cc(CN[C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)no1 ZINC000996301463 702693349 /nfs/dbraw/zinc/69/33/49/702693349.db2.gz TXVHOLXWYHACKM-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2(C)C)o1 ZINC000996312306 702701130 /nfs/dbraw/zinc/70/11/30/702701130.db2.gz YQVKXUHOJWPQPE-CQSZACIVSA-N 2 0 349.479 1.437 20 0 EDADRP CC(C)n1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC000995213291 702702026 /nfs/dbraw/zinc/70/20/26/702702026.db2.gz QFOLZQGIGQRVQE-CVEARBPZSA-N 2 0 348.495 1.329 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1)[NH+](C)C ZINC000996314448 702702664 /nfs/dbraw/zinc/70/26/64/702702664.db2.gz IOEXKLBCAMBPIZ-IRXDYDNUSA-N 2 0 347.507 1.496 20 0 EDADRP CCc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995215191 702723791 /nfs/dbraw/zinc/72/37/91/702723791.db2.gz SZXIZKIGBVOXKJ-HOCLYGCPSA-N 2 0 334.464 1.707 20 0 EDADRP C[C@H]([NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C)c1cnccn1 ZINC000996355589 702733268 /nfs/dbraw/zinc/73/32/68/702733268.db2.gz NBDFICRROMDSHY-WFASDCNBSA-N 2 0 328.420 1.330 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942256820 702748109 /nfs/dbraw/zinc/74/81/09/702748109.db2.gz HNYDTYILRGPCIX-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]([NH2+]CC3CC3)C(C)(C)C2)cn1 ZINC000996402809 702758463 /nfs/dbraw/zinc/75/84/63/702758463.db2.gz SAEMVIGUJZSSLX-MRXNPFEDSA-N 2 0 333.480 1.295 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCc1ccns1 ZINC000996524343 702840919 /nfs/dbraw/zinc/84/09/19/702840919.db2.gz GYXBBAGMPMODES-OAHLLOKOSA-N 2 0 348.516 1.608 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996522411 702858052 /nfs/dbraw/zinc/85/80/52/702858052.db2.gz ZAOPXICHKNHHKX-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)nc1 ZINC000996561629 702875465 /nfs/dbraw/zinc/87/54/65/702875465.db2.gz RYWCWSJKDOJHKD-KRWDZBQOSA-N 2 0 343.475 1.207 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996608233 702911572 /nfs/dbraw/zinc/91/15/72/702911572.db2.gz GZFFXUUSXWKDAV-RHSMWYFYSA-N 2 0 348.491 1.824 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000996603399 702912961 /nfs/dbraw/zinc/91/29/61/702912961.db2.gz LFJLEKKCGXUTIH-JKSUJKDBSA-N 2 0 333.480 1.231 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996605258 702914811 /nfs/dbraw/zinc/91/48/11/702914811.db2.gz CDPWBWMIKYRLFU-RHSMWYFYSA-N 2 0 346.475 1.511 20 0 EDADRP CC1(C)CO[C@H](C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)C1 ZINC000996612085 702917423 /nfs/dbraw/zinc/91/74/23/702917423.db2.gz PVDWFYUMELDHTL-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC000996661756 702955952 /nfs/dbraw/zinc/95/59/52/702955952.db2.gz AAZLYDWRNAEAQZ-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)s1 ZINC000996663940 702961951 /nfs/dbraw/zinc/96/19/51/702961951.db2.gz BDTLMJLJLYBDSF-UHFFFAOYSA-N 2 0 337.493 1.411 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000996665170 702967577 /nfs/dbraw/zinc/96/75/77/702967577.db2.gz XDRIBLLGTAEDPX-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996674147 702969334 /nfs/dbraw/zinc/96/93/34/702969334.db2.gz AHJQLQDHSLSADX-WBMJQRKESA-N 2 0 349.479 1.614 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996680929 702979509 /nfs/dbraw/zinc/97/95/09/702979509.db2.gz WUCFELUKCJPMEU-KRWDZBQOSA-N 2 0 348.495 1.027 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996717423 703010800 /nfs/dbraw/zinc/01/08/00/703010800.db2.gz AAPBEMQDEJQOFG-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996725124 703019670 /nfs/dbraw/zinc/01/96/70/703019670.db2.gz SBOBXHVESDGQNM-HIFRSBDPSA-N 2 0 348.495 1.493 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996755160 703043874 /nfs/dbraw/zinc/04/38/74/703043874.db2.gz AXASPWKYFOLLGN-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996766214 703057558 /nfs/dbraw/zinc/05/75/58/703057558.db2.gz ZIZMUKMDZZKEQN-KRWDZBQOSA-N 2 0 345.491 1.678 20 0 EDADRP Cc1nnc(CN2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)[nH]1 ZINC000942556269 703070181 /nfs/dbraw/zinc/07/01/81/703070181.db2.gz YMVPHMWAXWIUAV-UKRRQHHQSA-N 2 0 348.495 1.314 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996903003 703177677 /nfs/dbraw/zinc/17/76/77/703177677.db2.gz GKARPDCYRUGSDJ-IAGOWNOFSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)CC1 ZINC000996954772 703224547 /nfs/dbraw/zinc/22/45/47/703224547.db2.gz KWGQXNOTNWKXHM-UHFFFAOYSA-N 2 0 346.475 1.974 20 0 EDADRP C[C@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942721047 703235438 /nfs/dbraw/zinc/23/54/38/703235438.db2.gz KUHNPQNSBFMVKF-MAUKXSAKSA-N 2 0 333.476 1.223 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000996996864 703260059 /nfs/dbraw/zinc/26/00/59/703260059.db2.gz AGSAKRFILKEKQI-AWEZNQCLSA-N 2 0 334.439 1.643 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1csnn1 ZINC000997006225 703263469 /nfs/dbraw/zinc/26/34/69/703263469.db2.gz KINGJDSWQZJCNG-QWHCGFSZSA-N 2 0 337.493 1.522 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997007848 703265293 /nfs/dbraw/zinc/26/52/93/703265293.db2.gz QXKKTSVFUNOOOC-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccc(C(N)=O)c2)CC1)[NH+](C)C ZINC000997011132 703271299 /nfs/dbraw/zinc/27/12/99/703271299.db2.gz WMRIEAVSFYCBNL-KRWDZBQOSA-N 2 0 346.475 1.206 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997013453 703273305 /nfs/dbraw/zinc/27/33/05/703273305.db2.gz ZOJTZUXRXXDELM-IUODEOHRSA-N 2 0 336.505 1.730 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC000997016791 703275440 /nfs/dbraw/zinc/27/54/40/703275440.db2.gz XUYILHOGDBYTCJ-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000997033447 703285962 /nfs/dbraw/zinc/28/59/62/703285962.db2.gz KRMYFDWJMLXHTP-IPELMVKDSA-N 2 0 345.487 1.293 20 0 EDADRP CCc1noc([C@H](C)NC2CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC000997037032 703288765 /nfs/dbraw/zinc/28/87/65/703288765.db2.gz QWQRLDVDGHXCOG-NSHDSACASA-N 2 0 332.408 1.239 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)cc1 ZINC000997096398 703335754 /nfs/dbraw/zinc/33/57/54/703335754.db2.gz FESOLZJUWPCYMR-QGZVFWFLSA-N 2 0 345.487 1.979 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997099041 703344259 /nfs/dbraw/zinc/34/42/59/703344259.db2.gz ZAGMUAMFSLPRKA-JFIYKMOQSA-N 2 0 347.507 1.440 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC000997116320 703370054 /nfs/dbraw/zinc/37/00/54/703370054.db2.gz WCVYCSFTMKUZJI-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC000997142772 703405881 /nfs/dbraw/zinc/40/58/81/703405881.db2.gz IXMQNESOUIJDNV-MRXNPFEDSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc3n2CCOC3)c1 ZINC000921544573 703416661 /nfs/dbraw/zinc/41/66/61/703416661.db2.gz AGNCUJIMFYLPLD-UHFFFAOYSA-N 2 0 330.432 1.644 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997179576 703463809 /nfs/dbraw/zinc/46/38/09/703463809.db2.gz CHLSEVYBQWUBKD-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997181472 703466078 /nfs/dbraw/zinc/46/60/78/703466078.db2.gz AWNHCTVEMLVAJI-CQSZACIVSA-N 2 0 346.475 1.974 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000997182043 703466886 /nfs/dbraw/zinc/46/68/86/703466886.db2.gz GCNTWFITHYVGFM-CABCVRRESA-N 2 0 331.464 1.460 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997182849 703468048 /nfs/dbraw/zinc/46/80/48/703468048.db2.gz IHVWBOKHOWEUHE-CQSZACIVSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)[nH]1 ZINC000997181172 703471249 /nfs/dbraw/zinc/47/12/49/703471249.db2.gz WITMOYWCOKTGEQ-GDBMZVCRSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997185080 703473720 /nfs/dbraw/zinc/47/37/20/703473720.db2.gz PGFUPEYJQNCJJX-HNNXBMFYSA-N 2 0 331.464 1.207 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997186427 703475667 /nfs/dbraw/zinc/47/56/67/703475667.db2.gz MPKUYMMQDAEDNV-HNNXBMFYSA-N 2 0 346.475 1.768 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000997300431 703543937 /nfs/dbraw/zinc/54/39/37/703543937.db2.gz UWXTUVQCZAKSTL-ZIAGYGMSSA-N 2 0 329.435 1.954 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997302455 703545254 /nfs/dbraw/zinc/54/52/54/703545254.db2.gz IVYKMXIHABSYAL-FUHWJXTLSA-N 2 0 331.460 1.252 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC000997359582 703590141 /nfs/dbraw/zinc/59/01/41/703590141.db2.gz ICOBYJRPSSAFKX-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997362843 703596607 /nfs/dbraw/zinc/59/66/07/703596607.db2.gz CTFLWTWVLQGQIX-QGZVFWFLSA-N 2 0 333.480 1.375 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2ncccn2)CC1 ZINC000997366696 703600392 /nfs/dbraw/zinc/60/03/92/703600392.db2.gz JRRVPZSCHMESTP-WBVHZDCISA-N 2 0 345.491 1.993 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccnc2C)CC1 ZINC000997367117 703601488 /nfs/dbraw/zinc/60/14/88/703601488.db2.gz UBGVGIXDHVNXHS-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2nccn2C)CC1)[NH+]1CCCC1 ZINC000997368187 703604893 /nfs/dbraw/zinc/60/48/93/703604893.db2.gz BARFIQCWOPMXHH-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP CCO[C@H](CNC(=O)NC1CCC(C[NH+](C)C)CC1)C[NH+](C)C ZINC000921586675 703629047 /nfs/dbraw/zinc/62/90/47/703629047.db2.gz DMVFNBMYQSZIPK-UYSNPLJNSA-N 2 0 328.501 1.373 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032455824 703633538 /nfs/dbraw/zinc/63/35/38/703633538.db2.gz BJVHECHUIDYZRQ-BZSNNMDCSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997515867 703763485 /nfs/dbraw/zinc/76/34/85/703763485.db2.gz ODTATDMCIRILGR-WMLDXEAASA-N 2 0 333.480 1.231 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997612815 703910204 /nfs/dbraw/zinc/91/02/04/703910204.db2.gz DYRWSLPNAULKTF-FUHWJXTLSA-N 2 0 339.524 1.827 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000997613800 703913270 /nfs/dbraw/zinc/91/32/70/703913270.db2.gz PYHNYAZSUNPDHD-KRWDZBQOSA-N 2 0 331.464 1.207 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922533042 703934014 /nfs/dbraw/zinc/93/40/14/703934014.db2.gz MCNZUFDTKVYOHE-GDBMZVCRSA-N 2 0 326.485 1.268 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995550971 703955640 /nfs/dbraw/zinc/95/56/40/703955640.db2.gz KXNCXYCTBBDWJT-IRXDYDNUSA-N 2 0 347.507 1.366 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995554458 703970287 /nfs/dbraw/zinc/97/02/87/703970287.db2.gz WZOJCNMCZFWLBJ-KBPBESRZSA-N 2 0 336.505 1.872 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997776200 704677281 /nfs/dbraw/zinc/67/72/81/704677281.db2.gz LSJQGEDESWSWOI-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997783024 704687656 /nfs/dbraw/zinc/68/76/56/704687656.db2.gz BOLLGULZVRFGEQ-QGZVFWFLSA-N 2 0 343.475 1.147 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CC1 ZINC000997829636 704748184 /nfs/dbraw/zinc/74/81/84/704748184.db2.gz BDOPDFOAFBLMOL-AEFFLSMTSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)C1CC1 ZINC000997830396 704749060 /nfs/dbraw/zinc/74/90/60/704749060.db2.gz JTHKKTSNHHOIFX-KRWDZBQOSA-N 2 0 331.464 1.145 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)C1CC1 ZINC000997830715 704751116 /nfs/dbraw/zinc/75/11/16/704751116.db2.gz MYUULZMDDPHZLL-GOSISDBHSA-N 2 0 348.466 1.889 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)n(C)n2)CC1)[NH+](C)C ZINC000997854599 704766831 /nfs/dbraw/zinc/76/68/31/704766831.db2.gz GTWBFZDGNPZDQC-QGZVFWFLSA-N 2 0 335.496 1.397 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000997863672 704771032 /nfs/dbraw/zinc/77/10/32/704771032.db2.gz CZWLFZVDVUPMSN-OAHLLOKOSA-N 2 0 335.452 1.191 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997866789 704773301 /nfs/dbraw/zinc/77/33/01/704773301.db2.gz UQCQQMUNSBCAEX-XJKSGUPXSA-N 2 0 348.495 1.487 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997889404 704791355 /nfs/dbraw/zinc/79/13/55/704791355.db2.gz UFTXNWOHUZGYKQ-UHFFFAOYSA-N 2 0 345.491 1.377 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000997947280 705067743 /nfs/dbraw/zinc/06/77/43/705067743.db2.gz CRBCUYGGEWKKQE-MSOLQXFVSA-N 2 0 347.507 1.717 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCn2cncn2)CC1 ZINC000997947723 705068164 /nfs/dbraw/zinc/06/81/64/705068164.db2.gz DRCQKQGQWRFMNT-SJORKVTESA-N 2 0 348.495 1.075 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000998028840 705211723 /nfs/dbraw/zinc/21/17/23/705211723.db2.gz WNTYWQPKJXGQRR-UHFFFAOYSA-N 2 0 345.491 1.455 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998081269 705302312 /nfs/dbraw/zinc/30/23/12/705302312.db2.gz IBNGRLMZJRMFAZ-KSSFIOAISA-N 2 0 348.466 1.747 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](CCOC)CC1 ZINC000998107486 705354987 /nfs/dbraw/zinc/35/49/87/705354987.db2.gz XLWPLGORDATRLX-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC000948647939 705423116 /nfs/dbraw/zinc/42/31/16/705423116.db2.gz NVOHCLOYYVCHBW-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+]([C@H](C)COC)CC1 ZINC000998177701 705469452 /nfs/dbraw/zinc/46/94/52/705469452.db2.gz UTVGVHKMYOFASK-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998216699 705538423 /nfs/dbraw/zinc/53/84/23/705538423.db2.gz KDUDRZRHICXNHF-CZUORRHYSA-N 2 0 349.479 1.609 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000998779390 706220729 /nfs/dbraw/zinc/22/07/29/706220729.db2.gz BNAGICWVABIVRU-XUJLQICISA-N 2 0 348.447 1.104 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000998780381 706221601 /nfs/dbraw/zinc/22/16/01/706221601.db2.gz NXTHCOOJNPAOGV-DQPZFDDXSA-N 2 0 348.516 1.872 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c(C)o1 ZINC000998792283 706238812 /nfs/dbraw/zinc/23/88/12/706238812.db2.gz WUGAYGKZOKBPHF-JGVXXWTJSA-N 2 0 334.464 1.711 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000998868206 706297557 /nfs/dbraw/zinc/29/75/57/706297557.db2.gz VOGGACSGMOZOHI-JCYILVPMSA-N 2 0 334.464 1.936 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000998995720 706413148 /nfs/dbraw/zinc/41/31/48/706413148.db2.gz UBIQQJJJHGJDDB-VMBOVVBDSA-N 2 0 348.495 1.170 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999834875 707468248 /nfs/dbraw/zinc/46/82/48/707468248.db2.gz ZIMGLESJCSWUJG-UHFFFAOYSA-N 2 0 339.871 1.211 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999049948 706470590 /nfs/dbraw/zinc/47/05/90/706470590.db2.gz GVDGXKXDRNBOCY-GTPINHCMSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC000999051028 706471806 /nfs/dbraw/zinc/47/18/06/706471806.db2.gz QUZUHCFOYGLDAK-UHFFFAOYSA-N 2 0 332.448 1.690 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999050912 706471846 /nfs/dbraw/zinc/47/18/46/706471846.db2.gz OKWRYGUJCLLFKM-KLAILNCOSA-N 2 0 335.492 1.620 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCCCO3)C[C@H]2CC1 ZINC000946517175 706519333 /nfs/dbraw/zinc/51/93/33/706519333.db2.gz ALQDBKKITDVBTE-ZSYWTGECSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145799 706559841 /nfs/dbraw/zinc/55/98/41/706559841.db2.gz SVSVKHQZVHHNOR-FUHWJXTLSA-N 2 0 345.491 1.738 20 0 EDADRP COc1nccc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999347365 706859270 /nfs/dbraw/zinc/85/92/70/706859270.db2.gz JYBQLTJBTUFSGF-HNNXBMFYSA-N 2 0 347.463 1.050 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999362311 706875747 /nfs/dbraw/zinc/87/57/47/706875747.db2.gz AKJUVMAXAUJBIH-MAUKXSAKSA-N 2 0 348.491 1.966 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)c1 ZINC000999366079 706880005 /nfs/dbraw/zinc/88/00/05/706880005.db2.gz USPQGGAUNXMOSN-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999366791 706880299 /nfs/dbraw/zinc/88/02/99/706880299.db2.gz CKIOTBFPKNLFFX-GOEBONIOSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)o1 ZINC000999399244 706893902 /nfs/dbraw/zinc/89/39/02/706893902.db2.gz GKGRMURFVRGSKO-HOTGVXAUSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)[NH+](C)C ZINC000999434602 706942067 /nfs/dbraw/zinc/94/20/67/706942067.db2.gz PBJKDQDSMUCSSF-MSOLQXFVSA-N 2 0 339.524 1.970 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)nn1 ZINC000999435192 706942443 /nfs/dbraw/zinc/94/24/43/706942443.db2.gz QROFCWIOTHVJIR-WBVHZDCISA-N 2 0 349.479 1.152 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C(F)F)C1)[NH+](C)C ZINC000999499065 706996862 /nfs/dbraw/zinc/99/68/62/706996862.db2.gz ZAJZVQIDSLRRPF-CHWSQXEVSA-N 2 0 343.422 1.699 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999509873 707007526 /nfs/dbraw/zinc/00/75/26/707007526.db2.gz SCLJKLCBWXRPRI-UHFFFAOYSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000999509676 707007800 /nfs/dbraw/zinc/00/78/00/707007800.db2.gz QYESEEBUKUPXOF-ODIFPOPNSA-N 2 0 345.491 1.849 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999571833 707077537 /nfs/dbraw/zinc/07/75/37/707077537.db2.gz AIAUHNPUJIPKDB-MSOLQXFVSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999598247 707100777 /nfs/dbraw/zinc/10/07/77/707100777.db2.gz LHYYQLLGEVSJBE-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP CCCc1nc(CNC2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)no1 ZINC000999682522 707168100 /nfs/dbraw/zinc/16/81/00/707168100.db2.gz PHFMNKVLPLTPIF-WLYUNCDWSA-N 2 0 349.479 1.443 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999687023 707240097 /nfs/dbraw/zinc/24/00/97/707240097.db2.gz DJAJDIBCQKQTFL-FHERZECASA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cc(N2CC[C@H](CNC(=O)C3CC[NH+](C)CC3)C2)nc(C)n1 ZINC001061619493 707277029 /nfs/dbraw/zinc/27/70/29/707277029.db2.gz LNEGQMLOKDUYSX-OAHLLOKOSA-N 2 0 331.464 1.378 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999764394 707318830 /nfs/dbraw/zinc/31/88/30/707318830.db2.gz JQTDSUOZPHIFJI-VIHIWDAPSA-N 2 0 333.476 1.230 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033294785 707419819 /nfs/dbraw/zinc/41/98/19/707419819.db2.gz FNPMNOJMXQYWPH-QZTJIDSGSA-N 2 0 345.491 1.290 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999828799 707457187 /nfs/dbraw/zinc/45/71/87/707457187.db2.gz FXQFPZXDSCZBCB-WLYUNCDWSA-N 2 0 334.464 1.576 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999832296 707462937 /nfs/dbraw/zinc/46/29/37/707462937.db2.gz CKOWDSWYMDKHID-DAWZGUTISA-N 2 0 331.460 1.395 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000999833541 707464919 /nfs/dbraw/zinc/46/49/19/707464919.db2.gz LVVYVTRYWBBYSI-UHFFFAOYSA-N 2 0 348.495 1.277 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]C[C@@H](O)c2ccccc2F)C1 ZINC000999833598 707465899 /nfs/dbraw/zinc/46/58/99/707465899.db2.gz NJYSPVOTXCNMQJ-JTTJXQCZSA-N 2 0 349.450 1.534 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cccc(F)c2F)C1 ZINC000999835345 707469040 /nfs/dbraw/zinc/46/90/40/707469040.db2.gz FGZYJLXDPZDIBI-WLYUNCDWSA-N 2 0 337.414 1.996 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033320836 707516622 /nfs/dbraw/zinc/51/66/22/707516622.db2.gz XOCMYDUNVUSCQG-QGZVFWFLSA-N 2 0 347.507 1.370 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3CC)C2)n1 ZINC000999876617 707524422 /nfs/dbraw/zinc/52/44/22/707524422.db2.gz PMFMUNKFQUCWTK-DAWZGUTISA-N 2 0 347.507 1.856 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033338507 707613293 /nfs/dbraw/zinc/61/32/93/707613293.db2.gz CJFZDISHYQRTBO-CEXWTWQISA-N 2 0 345.487 1.737 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)CC[N@@H+]1C ZINC001033358082 707677898 /nfs/dbraw/zinc/67/78/98/707677898.db2.gz GJQISQFYZLZVLU-YESZJQIVSA-N 2 0 333.480 1.146 20 0 EDADRP C[C@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004931348 707693974 /nfs/dbraw/zinc/69/39/74/707693974.db2.gz WOVNXZWRXKFCMB-WMLDXEAASA-N 2 0 348.495 1.016 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213539 707709255 /nfs/dbraw/zinc/70/92/55/707709255.db2.gz KVUREZIUKASZHF-CZUORRHYSA-N 2 0 330.432 1.824 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001033393580 707729316 /nfs/dbraw/zinc/72/93/16/707729316.db2.gz FUNCOTSUIHABFA-IIIMJFFVSA-N 2 0 337.508 1.676 20 0 EDADRP C[C@@H]1Cc2cc(C[NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)ccc2O1 ZINC000921690964 707729350 /nfs/dbraw/zinc/72/93/50/707729350.db2.gz RNBZJQFJODEZTG-GDBMZVCRSA-N 2 0 331.460 1.687 20 0 EDADRP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC001032731671 707734070 /nfs/dbraw/zinc/73/40/70/707734070.db2.gz NYOSTFWNWDKGSX-PMPSAXMXSA-N 2 0 348.516 1.621 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033397642 707737995 /nfs/dbraw/zinc/73/79/95/707737995.db2.gz ULUWMLKJFACACL-GJZGRUSLSA-N 2 0 345.434 1.285 20 0 EDADRP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004975211 707807862 /nfs/dbraw/zinc/80/78/62/707807862.db2.gz CBZQURLVGRHSQP-WMLDXEAASA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990661 707852587 /nfs/dbraw/zinc/85/25/87/707852587.db2.gz JENBRJWJLSMOIN-WBVHZDCISA-N 2 0 334.464 1.938 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033506432 707976532 /nfs/dbraw/zinc/97/65/32/707976532.db2.gz YZDAJWAYZTXRNX-MAUKXSAKSA-N 2 0 333.476 1.929 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](CC[C@H]1CCCO1)C2 ZINC001040531620 708080401 /nfs/dbraw/zinc/08/04/01/708080401.db2.gz QKCFNXRFEPNCNZ-QUCCMNQESA-N 2 0 349.519 1.966 20 0 EDADRP CCOC1CC(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001005182035 708127502 /nfs/dbraw/zinc/12/75/02/708127502.db2.gz CDCADVAPVGAJDF-VJFUWPCTSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001005182600 708128704 /nfs/dbraw/zinc/12/87/04/708128704.db2.gz DRGQBCQZAYRDSI-RBUKOAKNSA-N 2 0 345.487 1.737 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582809 708266455 /nfs/dbraw/zinc/26/64/55/708266455.db2.gz RFSVVDUKPUGDHB-FUHWJXTLSA-N 2 0 330.476 1.765 20 0 EDADRP CC(C)C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001756686 708280100 /nfs/dbraw/zinc/28/01/00/708280100.db2.gz ICTUTKASHGLGPP-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2cccnc2)CC1 ZINC001001833001 708358873 /nfs/dbraw/zinc/35/88/73/708358873.db2.gz JJEQATDOUAFPBC-QAPCUYQASA-N 2 0 330.476 1.608 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033654380 708422057 /nfs/dbraw/zinc/42/20/57/708422057.db2.gz ATANYXACTYKGKH-ZWKOTPCHSA-N 2 0 337.508 1.678 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033664278 708446084 /nfs/dbraw/zinc/44/60/84/708446084.db2.gz FCFMYAPFVKBXPJ-PKOBYXMFSA-N 2 0 344.503 1.737 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001002043543 708534160 /nfs/dbraw/zinc/53/41/60/708534160.db2.gz RGFXZVKYGPQNNS-CQSZACIVSA-N 2 0 334.464 1.624 20 0 EDADRP O=C(NCC1CCN(Cc2ccc(F)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001002042172 708563555 /nfs/dbraw/zinc/56/35/55/708563555.db2.gz BVBQNHJXAFDQJJ-UHFFFAOYSA-N 2 0 346.450 1.645 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002122538 708637195 /nfs/dbraw/zinc/63/71/95/708637195.db2.gz DKVBJEZMEWYPSH-KRWDZBQOSA-N 2 0 331.464 1.065 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033839727 708869809 /nfs/dbraw/zinc/86/98/09/708869809.db2.gz UWZJZFNWWJQHKY-KBAYOESNSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCn2cccn2)CC1 ZINC001005398374 708881600 /nfs/dbraw/zinc/88/16/00/708881600.db2.gz OBOCOLBEMQQZDU-GOSISDBHSA-N 2 0 345.491 1.148 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCCO)C2)C1 ZINC001033932055 709099105 /nfs/dbraw/zinc/09/91/05/709099105.db2.gz GCORHASQVGCTQJ-DLBZAZTESA-N 2 0 325.497 1.414 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033940930 709147581 /nfs/dbraw/zinc/14/75/81/709147581.db2.gz LRSPEKTWXKLMJY-FUHWJXTLSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001034014835 709230086 /nfs/dbraw/zinc/23/00/86/709230086.db2.gz DSBNJYKEDRXKRX-QZTJIDSGSA-N 2 0 349.519 1.964 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139157 709389022 /nfs/dbraw/zinc/38/90/22/709389022.db2.gz RQZZZJYOAXRHHA-IRXDYDNUSA-N 2 0 334.439 1.786 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCCN(Cc2ccc(F)cn2)C1 ZINC001034139156 709389345 /nfs/dbraw/zinc/38/93/45/709389345.db2.gz RQZZZJYOAXRHHA-IAGOWNOFSA-N 2 0 334.439 1.786 20 0 EDADRP CN1CCO[C@@H](C(=O)N[C@@H]2CCCC[N@H+](CCC3CCCC3)C2)C1 ZINC001034148197 709418878 /nfs/dbraw/zinc/41/88/78/709418878.db2.gz GKQMOBGQMUFBQQ-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1conc1CN1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834991 709450749 /nfs/dbraw/zinc/45/07/49/709450749.db2.gz VRUSPINHGUZKHF-INIZCTEOSA-N 2 0 332.448 1.405 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+](C/C=C\Cl)CC2)n1 ZINC001002845123 709456481 /nfs/dbraw/zinc/45/64/81/709456481.db2.gz OIFDBNKGSPACAO-CLTKARDFSA-N 2 0 339.871 1.391 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3CC)C2)cn1 ZINC001016337388 709459558 /nfs/dbraw/zinc/45/95/58/709459558.db2.gz GZEBALLJFYIKAI-MSOLQXFVSA-N 2 0 347.507 1.510 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC[C@@H]3CCOC3)C2)CC1 ZINC001034378264 709899239 /nfs/dbraw/zinc/89/92/39/709899239.db2.gz QNEUQTQOULTALL-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC001034378707 709900547 /nfs/dbraw/zinc/90/05/47/709900547.db2.gz WRZCYFDCIAUOKL-KRWDZBQOSA-N 2 0 333.480 1.196 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034399659 709942585 /nfs/dbraw/zinc/94/25/85/709942585.db2.gz UESKZDZBCDTYHZ-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP CCOC1CC(C[NH+]2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001044004804 709975185 /nfs/dbraw/zinc/97/51/85/709975185.db2.gz JSRDGTZDCJZUQH-UHFFFAOYSA-N 2 0 337.508 1.676 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034647281 710323605 /nfs/dbraw/zinc/32/36/05/710323605.db2.gz COEMORZYAJMJOZ-QBPKDAKJSA-N 2 0 345.491 1.642 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)CC[N@@H+]1C ZINC001034647934 710324563 /nfs/dbraw/zinc/32/45/63/710324563.db2.gz UACPTKZQBRCLFH-VDHUWJSZSA-N 2 0 330.476 1.939 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001003519054 710396193 /nfs/dbraw/zinc/39/61/93/710396193.db2.gz ZFQLZFDBYMFFQO-AWEZNQCLSA-N 2 0 335.448 1.572 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)CC1 ZINC001003547948 710414079 /nfs/dbraw/zinc/41/40/79/710414079.db2.gz PLOZNAYXIXJSGC-UHFFFAOYSA-N 2 0 329.435 1.954 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001003548935 710414495 /nfs/dbraw/zinc/41/44/95/710414495.db2.gz WOJKCBUXENVBCC-QFBILLFUSA-N 2 0 335.492 1.335 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003627991 710457732 /nfs/dbraw/zinc/45/77/32/710457732.db2.gz LGUVTATXIXLMSD-CQSZACIVSA-N 2 0 336.505 1.751 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003628982 710458925 /nfs/dbraw/zinc/45/89/25/710458925.db2.gz VXTHZFUSOMUUNW-CQSZACIVSA-N 2 0 349.479 1.376 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](CC[C@@H]3CCOC3)CC2)C1 ZINC001003632396 710461009 /nfs/dbraw/zinc/46/10/09/710461009.db2.gz ZMJVUGXESPCPCC-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001003735979 710517411 /nfs/dbraw/zinc/51/74/11/710517411.db2.gz OIEAQFGWPRPSHE-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000922264899 710550488 /nfs/dbraw/zinc/55/04/88/710550488.db2.gz YAIYWUZYYXDSOX-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC001034673512 710611373 /nfs/dbraw/zinc/61/13/73/710611373.db2.gz BZOFBOLWNKVPJE-ZOBUZTSGSA-N 2 0 334.464 1.984 20 0 EDADRP CN(C)C(=O)CN1CCC(N(C)C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001005583162 710624724 /nfs/dbraw/zinc/62/47/24/710624724.db2.gz GPGYHMXFMDATBZ-UHFFFAOYSA-N 2 0 343.431 1.188 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCCO3)CC2)CC1 ZINC001034720333 710886661 /nfs/dbraw/zinc/88/66/61/710886661.db2.gz DMVAFKUPHFTEHD-BZSNNMDCSA-N 2 0 337.508 1.914 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC001034734964 710918561 /nfs/dbraw/zinc/91/85/61/710918561.db2.gz CSAWPDOMNGBTJA-BRWVUGGUSA-N 2 0 347.507 1.904 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034795047 711112603 /nfs/dbraw/zinc/11/26/03/711112603.db2.gz SUVBEFKYQIGUJF-QAQDUYKDSA-N 2 0 346.475 1.703 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005715269 711115047 /nfs/dbraw/zinc/11/50/47/711115047.db2.gz ZWRHJBANVWHYDS-CQSZACIVSA-N 2 0 330.432 1.906 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC001034792678 711120392 /nfs/dbraw/zinc/12/03/92/711120392.db2.gz KPBWCGIBACGBMG-CADBVGFASA-N 2 0 345.487 1.689 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003971472 711122706 /nfs/dbraw/zinc/12/27/06/711122706.db2.gz PYFMQZFBKBLWQJ-KRWDZBQOSA-N 2 0 345.487 1.988 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C2CC2)no1 ZINC001034884524 711288239 /nfs/dbraw/zinc/28/82/39/711288239.db2.gz ISFXNSRFROHTNL-PBHICJAKSA-N 2 0 332.448 1.727 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn3ccccc13)C2 ZINC000922387768 711428235 /nfs/dbraw/zinc/42/82/35/711428235.db2.gz MWHLYIPLUNKXBG-YSHGAJCASA-N 2 0 328.460 1.904 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnn(C)c2)C1 ZINC001034958885 711432874 /nfs/dbraw/zinc/43/28/74/711432874.db2.gz NPJQJTAGGPGSPJ-ZWKOTPCHSA-N 2 0 347.507 1.479 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(OC)nc1C)[NH+](C)C ZINC001034971686 711451639 /nfs/dbraw/zinc/45/16/39/711451639.db2.gz UDSPVPIQXSOYJI-HZPDHXFCSA-N 2 0 349.479 1.214 20 0 EDADRP CCOc1cccc(CN2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001004145095 711553762 /nfs/dbraw/zinc/55/37/62/711553762.db2.gz SKGQBLLRGXSKAY-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC001004149507 711563365 /nfs/dbraw/zinc/56/33/65/711563365.db2.gz KGCKQVUDJDAYLZ-KBXCAEBGSA-N 2 0 349.450 1.391 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H](C)O)C[C@H]2CC1 ZINC000946615781 711853794 /nfs/dbraw/zinc/85/37/94/711853794.db2.gz RNBJWCIGIGZTRW-BDXSIMOUSA-N 2 0 337.508 1.412 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033140773 711940339 /nfs/dbraw/zinc/94/03/39/711940339.db2.gz JIRJINQFPPSTPL-QZTJIDSGSA-N 2 0 335.492 1.573 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631743 712023182 /nfs/dbraw/zinc/02/31/82/712023182.db2.gz WXXRKEJROIHDRA-KSZLIROESA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001004598311 712041308 /nfs/dbraw/zinc/04/13/08/712041308.db2.gz WDBRFMFYJRBWBS-ZBFHGGJFSA-N 2 0 348.491 1.771 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([C@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004618377 712078749 /nfs/dbraw/zinc/07/87/49/712078749.db2.gz WBHLQEYIJOVYPD-GOSISDBHSA-N 2 0 346.475 1.973 20 0 EDADRP CC[N@H+]1C[C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)CC[C@@H]2C1 ZINC000946642292 712126403 /nfs/dbraw/zinc/12/64/03/712126403.db2.gz CMBKHMNNDWZHFQ-CALCHBBNSA-N 2 0 337.508 1.535 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946644516 712151522 /nfs/dbraw/zinc/15/15/22/712151522.db2.gz FWSKFNMNIFEYBX-FJIDUMEYSA-N 2 0 337.508 1.676 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000333705975 282115879 /nfs/dbraw/zinc/11/58/79/282115879.db2.gz SCDRALRJSQLCFN-HUUCEWRRSA-N 2 0 334.468 1.393 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000174206974 231150598 /nfs/dbraw/zinc/15/05/98/231150598.db2.gz ZAKPHTLFARAXTF-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])cc12 ZINC000261683671 282289146 /nfs/dbraw/zinc/28/91/46/282289146.db2.gz AKQHAHUFKRESNR-HNNXBMFYSA-N 2 0 344.463 1.096 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000174354615 530053644 /nfs/dbraw/zinc/05/36/44/530053644.db2.gz YAHCJMZYTYQGAV-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000178690821 232381332 /nfs/dbraw/zinc/38/13/32/232381332.db2.gz GPOHSOBAEXGCAR-SYJLOODJSA-N 2 0 337.533 1.958 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000560519367 306273324 /nfs/dbraw/zinc/27/33/24/306273324.db2.gz QCCPYOXWBWFWAM-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H](CC(C)C)N1CCOCC1)C(C)C ZINC000102551540 219210717 /nfs/dbraw/zinc/21/07/17/219210717.db2.gz UYMMXTFKQGRMGB-KRWDZBQOSA-N 2 0 342.528 1.763 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000342982579 539769840 /nfs/dbraw/zinc/76/98/40/539769840.db2.gz DMARAMJWMJLGQE-HRCADAONSA-N 2 0 340.512 1.164 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353521345 539934307 /nfs/dbraw/zinc/93/43/07/539934307.db2.gz RFOVPBMDFIQMDK-KURKYZTESA-N 2 0 336.524 1.392 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2F)CC1 ZINC000563003434 306315705 /nfs/dbraw/zinc/31/57/05/306315705.db2.gz TZENDKGWHNLPHD-XJKCOSOUSA-N 2 0 325.403 1.019 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH3+])C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000563116025 306318898 /nfs/dbraw/zinc/31/88/98/306318898.db2.gz XEQNITXLYQTHJI-KTAKPFMOSA-N 2 0 334.439 1.284 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000342723775 291045734 /nfs/dbraw/zinc/04/57/34/291045734.db2.gz BBVKOWWUXAESCO-JKSUJKDBSA-N 2 0 339.480 1.237 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CCC([NH3+])CC2)[NH+]2CCCC2)cc1 ZINC000563559344 306338790 /nfs/dbraw/zinc/33/87/90/306338790.db2.gz YEUHDJKBWTUAKW-GOSISDBHSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000563591670 306340675 /nfs/dbraw/zinc/34/06/75/306340675.db2.gz YFOAYIIIZUFAGW-LMSBXDPUSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000563609798 306341752 /nfs/dbraw/zinc/34/17/52/306341752.db2.gz PINLCIIWNFVSDN-WMZOPIPTSA-N 2 0 346.475 1.281 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000410766867 283231940 /nfs/dbraw/zinc/23/19/40/283231940.db2.gz MDHNUATYMMBGIR-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000563704918 306345673 /nfs/dbraw/zinc/34/56/73/306345673.db2.gz BKHLRODXRNQVTR-UHFFFAOYSA-N 2 0 346.475 1.701 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cn1 ZINC000414132892 304101688 /nfs/dbraw/zinc/10/16/88/304101688.db2.gz ZZIPWGAUCGAPCG-MRXNPFEDSA-N 2 0 334.508 1.884 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2n[nH]cc2C1 ZINC000359995661 201123581 /nfs/dbraw/zinc/12/35/81/201123581.db2.gz PEPUPOHXJMIYDH-OAHLLOKOSA-N 2 0 335.496 1.247 20 0 EDADRP C[NH+]1CCC(NC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000053963389 201130389 /nfs/dbraw/zinc/13/03/89/201130389.db2.gz UTWQYFAQHWFKLT-UHFFFAOYSA-N 2 0 330.476 1.998 20 0 EDADRP CCc1ncc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cn1 ZINC000414366772 304112341 /nfs/dbraw/zinc/11/23/41/304112341.db2.gz QTYINWNWBSHIIV-UHFFFAOYSA-N 2 0 347.507 1.755 20 0 EDADRP C[C@H]1[C@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CCC[N@@H+]1C ZINC000345788082 291307811 /nfs/dbraw/zinc/30/78/11/291307811.db2.gz QVVBHIXIXMOCMJ-DOTOQJQBSA-N 2 0 339.528 1.137 20 0 EDADRP CC(C)N1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000566091329 306398479 /nfs/dbraw/zinc/39/84/79/306398479.db2.gz YRCDZBFRGQKYKE-IDHHARJASA-N 2 0 329.444 1.841 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCC(CC(=O)N3CCN(C)CC3)CC2)CC[NH2+]1 ZINC000414701197 304129699 /nfs/dbraw/zinc/12/96/99/304129699.db2.gz UFSXSWVLBCMBHC-SJLPKXTDSA-N 2 0 336.524 1.251 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000414727554 304133334 /nfs/dbraw/zinc/13/33/34/304133334.db2.gz ARIVDLVWLKVHHM-KRWDZBQOSA-N 2 0 342.443 1.315 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCC[NH3+])CC1 ZINC000414727863 304133712 /nfs/dbraw/zinc/13/37/12/304133712.db2.gz NFXGYDJBFBHDND-UHFFFAOYSA-N 2 0 325.844 1.562 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000414729806 304133921 /nfs/dbraw/zinc/13/39/21/304133921.db2.gz DCSMJEQGWWIWRX-INIZCTEOSA-N 2 0 348.491 1.827 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000414759088 304137742 /nfs/dbraw/zinc/13/77/42/304137742.db2.gz ZNWNRDFHSBKNAD-OAHLLOKOSA-N 2 0 333.480 1.996 20 0 EDADRP Fc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c(Br)c1 ZINC000414784178 304140512 /nfs/dbraw/zinc/14/05/12/304140512.db2.gz RSZUUCZADBNMAH-UHFFFAOYSA-N 2 0 330.245 1.973 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N(C)C[C@H](O)C[NH3+] ZINC000414795406 304141192 /nfs/dbraw/zinc/14/11/92/304141192.db2.gz WMOAJOVCCZYEOT-CQSZACIVSA-N 2 0 338.452 1.191 20 0 EDADRP COC(=O)[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000337485525 284057912 /nfs/dbraw/zinc/05/79/12/284057912.db2.gz YLYGGCFTMVBGTB-DLBZAZTESA-N 2 0 325.497 1.534 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cc1 ZINC000414849507 304147658 /nfs/dbraw/zinc/14/76/58/304147658.db2.gz HDVFFXLRZGFVKE-GJZGRUSLSA-N 2 0 346.475 1.724 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CNC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415033831 304153036 /nfs/dbraw/zinc/15/30/36/304153036.db2.gz HIQPHZSOTDJFPG-GOSISDBHSA-N 2 0 332.492 1.297 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000415067446 304156675 /nfs/dbraw/zinc/15/66/75/304156675.db2.gz PGVFNPRLVSLHCI-UHFFFAOYSA-N 2 0 344.459 1.503 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000111230962 204343069 /nfs/dbraw/zinc/34/30/69/204343069.db2.gz MIFPHIDJPIEZSX-VQTJNVASSA-N 2 0 331.504 1.692 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415157689 304167314 /nfs/dbraw/zinc/16/73/14/304167314.db2.gz YGQZJIDXROHRNJ-PBHICJAKSA-N 2 0 346.475 1.533 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415159992 304168050 /nfs/dbraw/zinc/16/80/50/304168050.db2.gz KKYXDTMVZBRQQQ-SJORKVTESA-N 2 0 344.459 1.430 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000127351904 205096739 /nfs/dbraw/zinc/09/67/39/205096739.db2.gz VDMGYROSLYKGIB-GDBMZVCRSA-N 2 0 341.377 1.919 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC2CC[NH+](C)CC2)c1 ZINC000129008559 205174040 /nfs/dbraw/zinc/17/40/40/205174040.db2.gz GPRRIWHBGMZYQA-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP C[C@](C[NH3+])(NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000237588273 139054782 /nfs/dbraw/zinc/05/47/82/139054782.db2.gz RFSJLRJPHANJSI-LJQANCHMSA-N 2 0 330.476 1.442 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000237631179 139056412 /nfs/dbraw/zinc/05/64/12/139056412.db2.gz CZZRQVUWEXCJGV-DAYGRLMNSA-N 2 0 331.460 1.664 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1 ZINC000415224702 304175958 /nfs/dbraw/zinc/17/59/58/304175958.db2.gz BFRITQXXOYQJFS-AWEZNQCLSA-N 2 0 334.464 1.580 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CSCN1 ZINC000237905103 139063401 /nfs/dbraw/zinc/06/34/01/139063401.db2.gz NOPMUHDLZFYDBG-QGZVFWFLSA-N 2 0 346.500 1.820 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000415227439 304176442 /nfs/dbraw/zinc/17/64/42/304176442.db2.gz KAZOADSAURUNEF-PBHICJAKSA-N 2 0 344.459 1.430 20 0 EDADRP O=C1CNC(=O)N1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245645616 139082027 /nfs/dbraw/zinc/08/20/27/139082027.db2.gz BMBXQLYSMJPSJS-BJWYYQGGSA-N 2 0 342.443 1.323 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000245876748 139088281 /nfs/dbraw/zinc/08/82/81/139088281.db2.gz HOMXSTQJRRNEAI-JKSUJKDBSA-N 2 0 348.491 1.872 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[C@H]3C[NH3+])CC2)c1 ZINC000157921852 206164233 /nfs/dbraw/zinc/16/42/33/206164233.db2.gz MKEYMNNXAFMUSW-PKOBYXMFSA-N 2 0 344.503 1.751 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC000567909576 306466310 /nfs/dbraw/zinc/46/63/10/306466310.db2.gz HGTDWIMJWUWQQD-IEBWSBKVSA-N 2 0 342.487 1.112 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246418242 139107819 /nfs/dbraw/zinc/10/78/19/139107819.db2.gz SQXINKYLIJJXLU-OWCLPIDISA-N 2 0 347.459 1.215 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000103303133 206399608 /nfs/dbraw/zinc/39/96/08/206399608.db2.gz YTWNLXNOAOOASZ-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419886437 284610789 /nfs/dbraw/zinc/61/07/89/284610789.db2.gz DBQNARAJJWFNOF-CVEARBPZSA-N 2 0 340.512 1.199 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC[C@H](C)C1 ZINC000247495859 139150679 /nfs/dbraw/zinc/15/06/79/139150679.db2.gz MQEYHMCIEFWFHN-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)[C@@H](C)C2)C1 ZINC000248666690 139170828 /nfs/dbraw/zinc/17/08/28/139170828.db2.gz WUJNTKJQODMSGQ-YESZJQIVSA-N 2 0 340.512 1.061 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000360958046 284731225 /nfs/dbraw/zinc/73/12/25/284731225.db2.gz OCWSCMSJUOVQEP-HZPDHXFCSA-N 2 0 333.542 1.806 20 0 EDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249281415 139190227 /nfs/dbraw/zinc/19/02/27/139190227.db2.gz GNVOKXWXNIILJO-CGTJXYLNSA-N 2 0 333.476 1.641 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415415638 304218015 /nfs/dbraw/zinc/21/80/15/304218015.db2.gz MCUCKIHKNDHZQS-AWEZNQCLSA-N 2 0 346.475 1.234 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000353759790 284772376 /nfs/dbraw/zinc/77/23/76/284772376.db2.gz GAVGHOLMQWUSAY-QGZVFWFLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261653427 139214596 /nfs/dbraw/zinc/21/45/96/139214596.db2.gz FFYSDWVWTSSXAU-VCBZYWHSSA-N 2 0 347.459 1.344 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261671653 139216003 /nfs/dbraw/zinc/21/60/03/139216003.db2.gz GHDVUIJHHPAALY-GOSISDBHSA-N 2 0 331.460 1.475 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1Cc1ccccc1 ZINC000261673967 139216425 /nfs/dbraw/zinc/21/64/25/139216425.db2.gz GLJXXOZTOBTUGT-SPUZQDLCSA-N 2 0 331.460 1.662 20 0 EDADRP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC[NH2+]1 ZINC000569122379 306497428 /nfs/dbraw/zinc/49/74/28/306497428.db2.gz GQJKJJPHCNVIBA-LESCRADOSA-N 2 0 341.459 1.058 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])ccc1C[NH+](C)C ZINC000415460271 304223573 /nfs/dbraw/zinc/22/35/73/304223573.db2.gz YOUHMMGCACNUAG-BBRMVZONSA-N 2 0 332.448 1.239 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC2(CC[NH2+]C2)CC1 ZINC000261878324 139233399 /nfs/dbraw/zinc/23/33/99/139233399.db2.gz TWCLNSDJALAKRH-UHFFFAOYSA-N 2 0 335.492 1.624 20 0 EDADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1 ZINC000261978608 139241454 /nfs/dbraw/zinc/24/14/54/139241454.db2.gz HBMJAYOKAODCHD-AWEZNQCLSA-N 2 0 338.496 1.855 20 0 EDADRP COC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000262078112 139249163 /nfs/dbraw/zinc/24/91/63/139249163.db2.gz SSYVNLNVTROERD-MRXNPFEDSA-N 2 0 333.432 1.293 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262111640 139251855 /nfs/dbraw/zinc/25/18/55/139251855.db2.gz URNCTGHXYAANRF-RBUKOAKNSA-N 2 0 342.487 1.157 20 0 EDADRP [NH3+]CC1CCC([NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC1 ZINC000415110062 250912449 /nfs/dbraw/zinc/91/24/49/250912449.db2.gz PYXSREHECJIQTQ-UHFFFAOYSA-N 2 0 337.489 1.834 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1c(F)cccc1F ZINC000174717524 207048680 /nfs/dbraw/zinc/04/86/80/207048680.db2.gz VFEZJNXLGARBCD-MRXNPFEDSA-N 2 0 327.419 1.568 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)ccc1C[NH+](C)C ZINC000415555974 251010567 /nfs/dbraw/zinc/01/05/67/251010567.db2.gz IAIFSJQJSHRVTN-KBPBESRZSA-N 2 0 332.448 1.204 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC000262188597 139258430 /nfs/dbraw/zinc/25/84/30/139258430.db2.gz JLLIYDSIEQVIEA-FNHZYXHNSA-N 2 0 340.471 1.980 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000174857919 207066118 /nfs/dbraw/zinc/06/61/18/207066118.db2.gz RXXFLPNVAOHBST-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccc(OCC[NH3+])cc2)[N@H+](C)C1 ZINC000415949978 251038779 /nfs/dbraw/zinc/03/87/79/251038779.db2.gz WXTUZIUONPEJTK-HOCLYGCPSA-N 2 0 336.436 1.207 20 0 EDADRP O=C(CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000262229345 139261975 /nfs/dbraw/zinc/26/19/75/139261975.db2.gz VEMQRHBRRBPQPP-QZTJIDSGSA-N 2 0 331.460 1.396 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262223302 139261461 /nfs/dbraw/zinc/26/14/61/139261461.db2.gz FVQIEZDKMVOOAH-BBRMVZONSA-N 2 0 325.478 1.639 20 0 EDADRP C[C@@H]1SCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H]1c1ccccc1 ZINC000262246272 139263236 /nfs/dbraw/zinc/26/32/36/139263236.db2.gz WNSOJUVYBWBBMJ-YJBOKZPZSA-N 2 0 333.501 1.987 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000415572995 304228982 /nfs/dbraw/zinc/22/89/82/304228982.db2.gz VBINPHAHTLAEJS-KBPBESRZSA-N 2 0 332.448 1.204 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1cccc(F)c1 ZINC000416832732 251112756 /nfs/dbraw/zinc/11/27/56/251112756.db2.gz ITEZJNDYOSZJPG-HLLBOEOZSA-N 2 0 334.439 1.679 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417013254 251130927 /nfs/dbraw/zinc/13/09/27/251130927.db2.gz YMUNTMBVGLVCLW-PVAVHDDUSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417020196 251134811 /nfs/dbraw/zinc/13/48/11/251134811.db2.gz MBRPTWQDCZVAJV-SJLPKXTDSA-N 2 0 345.491 1.330 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000417005081 251126469 /nfs/dbraw/zinc/12/64/69/251126469.db2.gz CUSHXEKVIOAZPC-HOTGVXAUSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417025635 251138099 /nfs/dbraw/zinc/13/80/99/251138099.db2.gz NCANELDWGSVDAE-GOSISDBHSA-N 2 0 330.476 1.958 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000417415906 251167010 /nfs/dbraw/zinc/16/70/10/251167010.db2.gz GZIFZLFVFZCEMQ-CABCVRRESA-N 2 0 336.436 1.094 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)[NH+](C)C)cc1 ZINC000417309535 251155033 /nfs/dbraw/zinc/15/50/33/251155033.db2.gz IUCBDPWVNLEMID-KURKYZTESA-N 2 0 330.476 1.849 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H](C)C[NH3+])CC2)cc1 ZINC000417319126 251158243 /nfs/dbraw/zinc/15/82/43/251158243.db2.gz BEZADJFTUOSAIH-CQSZACIVSA-N 2 0 334.464 1.554 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CCC([NH3+])CC1)c1ccccc1 ZINC000417518873 251182620 /nfs/dbraw/zinc/18/26/20/251182620.db2.gz TYIXNKOPPSUBOC-SFHVURJKSA-N 2 0 348.491 1.829 20 0 EDADRP CN(C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC([NH3+])C1 ZINC000417551288 251187204 /nfs/dbraw/zinc/18/72/04/251187204.db2.gz NVVPWBBOKOUNPG-UHFFFAOYSA-N 2 0 346.475 1.274 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417555121 251187604 /nfs/dbraw/zinc/18/76/04/251187604.db2.gz XMRNPGPGOIGVRL-GOSISDBHSA-N 2 0 348.491 1.426 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000417438654 251174009 /nfs/dbraw/zinc/17/40/09/251174009.db2.gz KBWLQTGWUCBTEJ-SFHVURJKSA-N 2 0 344.459 1.717 20 0 EDADRP C[C@H](CNC(=O)N1CCNC[C@](C)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000417576313 251193820 /nfs/dbraw/zinc/19/38/20/251193820.db2.gz HERRNGWEQUJAJT-QAPCUYQASA-N 2 0 336.455 1.850 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC000175821285 207162659 /nfs/dbraw/zinc/16/26/59/207162659.db2.gz UBELNFNOGQTVQS-MRXNPFEDSA-N 2 0 342.528 1.764 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCOCC1 ZINC000262410401 139277097 /nfs/dbraw/zinc/27/70/97/139277097.db2.gz ZDZJAQLSPFMFCO-GOSISDBHSA-N 2 0 345.487 1.423 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262426124 139278181 /nfs/dbraw/zinc/27/81/81/139278181.db2.gz CPVSVIIGPNXVRS-KRWDZBQOSA-N 2 0 341.459 1.799 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417750184 251254776 /nfs/dbraw/zinc/25/47/76/251254776.db2.gz KFDQCQMXJVGQBU-IKGGRYGDSA-N 2 0 339.528 1.077 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000417823050 251284977 /nfs/dbraw/zinc/28/49/77/251284977.db2.gz XTZCZJHLFYARNQ-WFASDCNBSA-N 2 0 327.432 1.826 20 0 EDADRP O=C(CCn1ccnc1)Nc1cccc(C(=O)NC2CC[NH2+]CC2)c1 ZINC000262504921 139282953 /nfs/dbraw/zinc/28/29/53/139282953.db2.gz JJGVZGKDIBLOCI-UHFFFAOYSA-N 2 0 341.415 1.394 20 0 EDADRP CC[N@H+](CCNC(=O)NCC[C@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418079759 251320402 /nfs/dbraw/zinc/32/04/02/251320402.db2.gz RFJRJCYIULPVLF-CYBMUJFWSA-N 2 0 338.418 1.950 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418115402 251329371 /nfs/dbraw/zinc/32/93/71/251329371.db2.gz OFOQONDFKLNOIA-OAGGEKHMSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000417851423 251297525 /nfs/dbraw/zinc/29/75/25/251297525.db2.gz YPKAPOHGYBPZGL-GDAAHCPNSA-N 2 0 342.487 1.900 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000417855541 251299136 /nfs/dbraw/zinc/29/91/36/251299136.db2.gz VIRQUAAPICMOKD-ZWKOTPCHSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418434097 251369900 /nfs/dbraw/zinc/36/99/00/251369900.db2.gz VEQMNLVFBMETBF-CRAIPNDOSA-N 2 0 346.475 1.581 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418320958 251360245 /nfs/dbraw/zinc/36/02/45/251360245.db2.gz RFCANJUBKAVDAI-UHFFFAOYSA-N 2 0 347.463 1.583 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C1CCCCC1 ZINC000418384466 251364041 /nfs/dbraw/zinc/36/40/41/251364041.db2.gz ONCILGNOFFXLNN-CVEARBPZSA-N 2 0 326.485 1.040 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418584587 251378691 /nfs/dbraw/zinc/37/86/91/251378691.db2.gz CFXZAFPJSMWOJF-COXVUDFISA-N 2 0 334.464 1.595 20 0 EDADRP COCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000418638176 251381735 /nfs/dbraw/zinc/38/17/35/251381735.db2.gz LHUYLEASQDXMCZ-HNNXBMFYSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418688292 251386644 /nfs/dbraw/zinc/38/66/44/251386644.db2.gz MYBWHLOHOYYUAI-NXHRZFHOSA-N 2 0 348.491 1.296 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000262646394 139292797 /nfs/dbraw/zinc/29/27/97/139292797.db2.gz ODBKQNKTWMYSBT-JKSUJKDBSA-N 2 0 344.459 1.322 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420139113 251610855 /nfs/dbraw/zinc/61/08/55/251610855.db2.gz WZBUGZVFOMMYBX-CQSZACIVSA-N 2 0 334.464 1.121 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262711615 139298097 /nfs/dbraw/zinc/29/80/97/139298097.db2.gz QQMFCRNYAXGLEK-INIZCTEOSA-N 2 0 347.463 1.968 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262778017 139302925 /nfs/dbraw/zinc/30/29/25/139302925.db2.gz LBPQBSGYXKIIAN-JKSUJKDBSA-N 2 0 330.476 1.256 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262789492 139303760 /nfs/dbraw/zinc/30/37/60/139303760.db2.gz MWHJYHGLZKGTAC-KBPBESRZSA-N 2 0 336.455 1.882 20 0 EDADRP C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892921 252013122 /nfs/dbraw/zinc/01/31/22/252013122.db2.gz ZTYOZMSJNVQEAG-ATZDWAIDSA-N 2 0 344.503 1.614 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000422860495 252003680 /nfs/dbraw/zinc/00/36/80/252003680.db2.gz MORCQORESUMXKE-XJKSGUPXSA-N 2 0 326.462 1.447 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCCCN2CC)CC[NH2+]CC1 ZINC000422912298 252020209 /nfs/dbraw/zinc/02/02/09/252020209.db2.gz VWJNHNPMDZUYDQ-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H]1COc2ccccc21 ZINC000423869209 252100341 /nfs/dbraw/zinc/10/03/41/252100341.db2.gz BYZUKJBZDZXXQS-PBHICJAKSA-N 2 0 331.460 1.871 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424012756 252113484 /nfs/dbraw/zinc/11/34/84/252113484.db2.gz PNWRBLDEBRDQKQ-FGTMMUONSA-N 2 0 345.393 1.960 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)[NH+](CC)CC ZINC000424015289 252113745 /nfs/dbraw/zinc/11/37/45/252113745.db2.gz YRUBDTMOGQOMRR-BRWVUGGUSA-N 2 0 325.497 1.852 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCCO1 ZINC000424023975 252118196 /nfs/dbraw/zinc/11/81/96/252118196.db2.gz QJTBSOHOGAKTDJ-FUHWJXTLSA-N 2 0 349.450 1.614 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000424047798 252124953 /nfs/dbraw/zinc/12/49/53/252124953.db2.gz XDWJNDXGIRZOFQ-ZWKOTPCHSA-N 2 0 331.460 1.731 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423791523 252075657 /nfs/dbraw/zinc/07/56/57/252075657.db2.gz UYQSRYIBKXFSPX-OAHLLOKOSA-N 2 0 334.489 1.509 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424143502 252141898 /nfs/dbraw/zinc/14/18/98/252141898.db2.gz ZOQOSECPTHIOIJ-OAHLLOKOSA-N 2 0 347.507 1.832 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424144841 252143019 /nfs/dbraw/zinc/14/30/19/252143019.db2.gz MFQDOTHZWKZTMV-CVEARBPZSA-N 2 0 346.479 1.197 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC[N@@H+]1C ZINC000424149231 252145603 /nfs/dbraw/zinc/14/56/03/252145603.db2.gz VYTRIKJNIOINKB-KFWWJZLASA-N 2 0 333.480 1.442 20 0 EDADRP C[N@H+](CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424135234 252138767 /nfs/dbraw/zinc/13/87/67/252138767.db2.gz OMIVOOMWOFOMEK-HNNXBMFYSA-N 2 0 334.468 1.197 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000424273911 252188527 /nfs/dbraw/zinc/18/85/27/252188527.db2.gz UVDIQJVFGSTYQJ-UHFFFAOYSA-N 2 0 347.459 1.409 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000424468813 252241243 /nfs/dbraw/zinc/24/12/43/252241243.db2.gz PSJMHMNYROSBBY-DOTOQJQBSA-N 2 0 344.459 1.335 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000262968056 139315961 /nfs/dbraw/zinc/31/59/61/139315961.db2.gz XIFGUQJGFHTYAR-MSOLQXFVSA-N 2 0 344.503 1.764 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000424438986 252231429 /nfs/dbraw/zinc/23/14/29/252231429.db2.gz MSUHIHZDCNOPSU-UHFFFAOYSA-N 2 0 346.475 1.629 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000424444003 252233395 /nfs/dbraw/zinc/23/33/95/252233395.db2.gz YRUAQRNFGULCRP-HZPDHXFCSA-N 2 0 330.432 1.135 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425898364 252313420 /nfs/dbraw/zinc/31/34/20/252313420.db2.gz ZEIKESIAPGFIRK-MRXNPFEDSA-N 2 0 336.480 1.324 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000182476826 285009869 /nfs/dbraw/zinc/00/98/69/285009869.db2.gz UVCXAZYZZAIOPR-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938967 285058629 /nfs/dbraw/zinc/05/86/29/285058629.db2.gz VSZPYYNYRURAHU-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP [NH3+]CCCC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000263282886 139333035 /nfs/dbraw/zinc/33/30/35/139333035.db2.gz SNZWXXLGEOCIEE-UHFFFAOYSA-N 2 0 338.883 1.707 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000112466077 220332676 /nfs/dbraw/zinc/33/26/76/220332676.db2.gz TXKGIOQNULRVGG-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP CN(CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C(=O)C1C[NH2+]C1 ZINC000263347233 139337341 /nfs/dbraw/zinc/33/73/41/139337341.db2.gz ZNWFTDHCJBTFCU-SFHVURJKSA-N 2 0 331.460 1.110 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415693574 304257353 /nfs/dbraw/zinc/25/73/53/304257353.db2.gz UFWXXOZNRAEDJH-OAHLLOKOSA-N 2 0 346.475 1.317 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459806226 255004206 /nfs/dbraw/zinc/00/42/06/255004206.db2.gz MJMHGDLPJNVSOU-AWEZNQCLSA-N 2 0 341.496 1.497 20 0 EDADRP C[C@@H]1CN(C(=O)NCCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000490224933 255081838 /nfs/dbraw/zinc/08/18/38/255081838.db2.gz SRWPXCZSIWBHKO-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496357023 255386074 /nfs/dbraw/zinc/38/60/74/255386074.db2.gz HMQMPBZYOWVPEF-QGZVFWFLSA-N 2 0 329.485 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)O1 ZINC000345716984 285280637 /nfs/dbraw/zinc/28/06/37/285280637.db2.gz GTSHMYGBHAQQBI-JKSUJKDBSA-N 2 0 325.497 1.819 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)cc1 ZINC000415805928 304275974 /nfs/dbraw/zinc/27/59/74/304275974.db2.gz OJDOEJJXYVIXQQ-MRXNPFEDSA-N 2 0 346.475 1.378 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000353911852 285336144 /nfs/dbraw/zinc/33/61/44/285336144.db2.gz GSSGXWWJRIOAAC-YYIAUSFCSA-N 2 0 325.497 1.580 20 0 EDADRP CO[C@@H](CC(C)C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000416142623 304291600 /nfs/dbraw/zinc/29/16/00/304291600.db2.gz HHUZTICVGDNLDJ-SFHVURJKSA-N 2 0 348.491 1.771 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccn1C ZINC000416386512 304313791 /nfs/dbraw/zinc/31/37/91/304313791.db2.gz RTVFCNOOOOPYKF-HNNXBMFYSA-N 2 0 342.509 1.062 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000333303398 141295816 /nfs/dbraw/zinc/29/58/16/141295816.db2.gz JEXCOPRVIJCIEL-HNNXBMFYSA-N 2 0 340.537 1.728 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661592 141352113 /nfs/dbraw/zinc/35/21/13/141352113.db2.gz LPRFVTSUGVLJMV-AQEOSJORSA-N 2 0 349.523 1.081 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000333712249 141363309 /nfs/dbraw/zinc/36/33/09/141363309.db2.gz SMSRFYVRPJQAHF-DOTOQJQBSA-N 2 0 343.537 1.703 20 0 EDADRP CN1CCO[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@@H]21 ZINC000333723268 141366355 /nfs/dbraw/zinc/36/63/55/141366355.db2.gz VAHAJIPXPMPKRW-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000333737748 141369663 /nfs/dbraw/zinc/36/96/63/141369663.db2.gz XEBVSNZJJSIQAJ-UKRRQHHQSA-N 2 0 337.493 1.501 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333833153 141390579 /nfs/dbraw/zinc/39/05/79/141390579.db2.gz JTVFSHRVMRIWKU-JQHSSLGASA-N 2 0 337.508 1.852 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000333850409 141394272 /nfs/dbraw/zinc/39/42/72/141394272.db2.gz PYVQKHXFJHINDM-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000333868595 141397747 /nfs/dbraw/zinc/39/77/47/141397747.db2.gz BGRSVOJRHTXDDU-LSDHHAIUSA-N 2 0 331.464 1.438 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000338822543 141889957 /nfs/dbraw/zinc/88/99/57/141889957.db2.gz BMCVYOHGTQCYLZ-LJQANCHMSA-N 2 0 349.519 1.964 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C(C)C ZINC000339612281 142093533 /nfs/dbraw/zinc/09/35/33/142093533.db2.gz JNTCWEKDHQGGSH-OAHLLOKOSA-N 2 0 342.528 1.314 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340252310 142320245 /nfs/dbraw/zinc/32/02/45/142320245.db2.gz LOBRXDSNMFLOIY-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCCCCC1 ZINC000340311040 142338143 /nfs/dbraw/zinc/33/81/43/142338143.db2.gz ZNMDPXPZMVUKBK-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP Cc1ccc(C)c([C@@H]2C[N@H+](CCC(=O)N3CC[NH2+]CC3)[C@H](C)CO2)c1 ZINC000262056264 292088261 /nfs/dbraw/zinc/08/82/61/292088261.db2.gz ITHBLZSUQINWTN-MJGOQNOKSA-N 2 0 345.487 1.887 20 0 EDADRP CC(C)[C@H](C(=O)N(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000344919490 143026895 /nfs/dbraw/zinc/02/68/95/143026895.db2.gz GQVQATHYMLCJHN-IYBDPMFKSA-N 2 0 342.528 1.076 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+](C)CCCO)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345010411 143038848 /nfs/dbraw/zinc/03/88/48/143038848.db2.gz NZGNKSJOOISXMX-XHSDSOJGSA-N 2 0 325.497 1.553 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000345195555 143063145 /nfs/dbraw/zinc/06/31/45/143063145.db2.gz ZQTHERRZAAFWHW-UHFFFAOYSA-N 2 0 327.513 1.972 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000345232240 143067519 /nfs/dbraw/zinc/06/75/19/143067519.db2.gz UAPLCTICTVUPOL-OKZBNKHCSA-N 3 0 338.540 1.734 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000346325511 143192233 /nfs/dbraw/zinc/19/22/33/143192233.db2.gz NZYSSKYQUUGXJL-SFHVURJKSA-N 2 0 335.492 1.576 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)c(=O)[nH]1 ZINC000346791622 143246226 /nfs/dbraw/zinc/24/62/26/143246226.db2.gz JOCSVNIAOMLQIZ-CXAGYDPISA-N 2 0 327.432 1.886 20 0 EDADRP COc1c(C)cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1C ZINC000347016752 143271846 /nfs/dbraw/zinc/27/18/46/143271846.db2.gz KCHGESOEMNNWAT-SFHVURJKSA-N 2 0 345.487 1.956 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2cccs2)n1 ZINC000347034796 143274568 /nfs/dbraw/zinc/27/45/68/143274568.db2.gz CPLZIURSDKKMIG-ZDUSSCGKSA-N 2 0 347.488 1.436 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)[C@H]1CCSC1 ZINC000347515270 143331126 /nfs/dbraw/zinc/33/11/26/143331126.db2.gz NIEXVKAXLSFOFY-HOTGVXAUSA-N 2 0 341.521 1.137 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)CCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000347551608 143334179 /nfs/dbraw/zinc/33/41/79/143334179.db2.gz RAJXWKPRYWUARI-NRSPTQNISA-N 2 0 345.531 1.938 20 0 EDADRP C[C@H](NC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C(C)(C)C[NH+](C)C ZINC000347696459 143350873 /nfs/dbraw/zinc/35/08/73/143350873.db2.gz DHWVKXLZHNNDKU-HNNXBMFYSA-N 2 0 347.507 1.540 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347930425 143380514 /nfs/dbraw/zinc/38/05/14/143380514.db2.gz XSQFFELWHFSKRL-CQSZACIVSA-N 2 0 337.464 1.525 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369763161 155166564 /nfs/dbraw/zinc/16/65/64/155166564.db2.gz MBRGMQUZMFKZJI-MRXNPFEDSA-N 2 0 333.480 1.393 20 0 EDADRP C[N@H+](CCC(=O)N1CCOCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000369810781 155185898 /nfs/dbraw/zinc/18/58/98/155185898.db2.gz YKOFHHJQYPCNIL-LJQANCHMSA-N 2 0 345.487 1.689 20 0 EDADRP C[C@H](NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000416843250 304350922 /nfs/dbraw/zinc/35/09/22/304350922.db2.gz OPEPYLKJPVDMOJ-RYQLBKOJSA-N 2 0 332.492 1.847 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416842958 304350941 /nfs/dbraw/zinc/35/09/41/304350941.db2.gz OAGUCLWEAIFCMV-HKUYNNGSSA-N 2 0 330.476 1.554 20 0 EDADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC(C)C)CC1 ZINC000340601361 149056485 /nfs/dbraw/zinc/05/64/85/149056485.db2.gz MFAUYUABFGLHKL-CQSZACIVSA-N 2 0 326.485 1.663 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353176510 149314341 /nfs/dbraw/zinc/31/43/41/149314341.db2.gz ZHDPDNZYMUBFNY-QXULXFAOSA-N 2 0 348.443 1.712 20 0 EDADRP C[C@@H](NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000416967773 304357015 /nfs/dbraw/zinc/35/70/15/304357015.db2.gz HNTICBDJALEEFD-LVQVYYBASA-N 2 0 348.491 1.831 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000416969366 304357301 /nfs/dbraw/zinc/35/73/01/304357301.db2.gz BRJCQWJNCVERBD-GOSISDBHSA-N 2 0 346.475 1.329 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416969858 304357398 /nfs/dbraw/zinc/35/73/98/304357398.db2.gz CXDRGKHTBREAFR-CRAIPNDOSA-N 2 0 345.491 1.863 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000354134650 149664483 /nfs/dbraw/zinc/66/44/83/149664483.db2.gz BJKHZFWZXSIYDS-OAHLLOKOSA-N 2 0 348.491 1.393 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000416974550 304358600 /nfs/dbraw/zinc/35/86/00/304358600.db2.gz LYBDNLFCNDLGJH-GDBMZVCRSA-N 2 0 334.464 1.554 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000416973668 304358604 /nfs/dbraw/zinc/35/86/04/304358604.db2.gz JOCHSGQPUWOBLD-WMZOPIPTSA-N 2 0 348.491 1.944 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369980217 155263158 /nfs/dbraw/zinc/26/31/58/155263158.db2.gz SQOMHYUYCIPGLY-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)CCC[NH+]2CCCC2)CC1 ZINC000355748014 150383893 /nfs/dbraw/zinc/38/38/93/150383893.db2.gz XOTMJIDBODHBLG-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356103634 150511848 /nfs/dbraw/zinc/51/18/48/150511848.db2.gz ZBHLECZFDHUFPH-UHFFFAOYSA-N 2 0 338.496 1.417 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000417044349 304365491 /nfs/dbraw/zinc/36/54/91/304365491.db2.gz XWBBXCPNAJZYMN-CRAIPNDOSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000417047373 304366532 /nfs/dbraw/zinc/36/65/32/304366532.db2.gz QJDFXFTYOHMXDY-CVEARBPZSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000417051192 304366765 /nfs/dbraw/zinc/36/67/65/304366765.db2.gz YZIALMPQTJUBLA-BRWVUGGUSA-N 2 0 340.512 1.422 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)C ZINC000357871358 151178981 /nfs/dbraw/zinc/17/89/81/151178981.db2.gz OFGBHVDRQPSXJD-WDSOQIARSA-N 2 0 344.503 1.492 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000358095130 151268065 /nfs/dbraw/zinc/26/80/65/151268065.db2.gz LYCJUMUSNXARIF-INIZCTEOSA-N 2 0 340.512 1.637 20 0 EDADRP CN(c1ccccc1CNC[C@]1(O)CC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000358174059 151295159 /nfs/dbraw/zinc/29/51/59/151295159.db2.gz XHBKMFLKVSCDHK-HXUWFJFHSA-N 2 0 346.519 1.373 20 0 EDADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358495963 151395445 /nfs/dbraw/zinc/39/54/45/151395445.db2.gz IJYBRQBKDUXAGX-HNNXBMFYSA-N 2 0 331.460 1.775 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000417413996 292253058 /nfs/dbraw/zinc/25/30/58/292253058.db2.gz CHKVPKMCEAFVEU-GJZGRUSLSA-N 2 0 336.436 1.013 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC[N@@H+](C)C2CCCCC2)CCSC1 ZINC000360403725 152023598 /nfs/dbraw/zinc/02/35/98/152023598.db2.gz VSINNKIDISJRMG-QGZVFWFLSA-N 2 0 342.553 1.987 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360670903 152146788 /nfs/dbraw/zinc/14/67/88/152146788.db2.gz ZXZHAHBXXMFEDZ-DOTOQJQBSA-N 2 0 342.553 1.843 20 0 EDADRP CN1CCN(C(=O)C[NH2+][C@H](Cc2ccccn2)c2ccccc2)CC1 ZINC000360700289 152159982 /nfs/dbraw/zinc/15/99/82/152159982.db2.gz BKXNQQNJVGXRKR-LJQANCHMSA-N 2 0 338.455 1.729 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CCSC1 ZINC000360752589 152187000 /nfs/dbraw/zinc/18/70/00/152187000.db2.gz FOPYKBMQUMVBDB-GASCZTMLSA-N 2 0 346.566 1.160 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CCSC1 ZINC000360757189 152190383 /nfs/dbraw/zinc/19/03/83/152190383.db2.gz XQMPTBORAQBFCO-QGZVFWFLSA-N 2 0 340.537 1.694 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897631 152245839 /nfs/dbraw/zinc/24/58/39/152245839.db2.gz MWLKZGHGOGGHAY-HZPDHXFCSA-N 2 0 325.497 1.819 20 0 EDADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000361009128 152277792 /nfs/dbraw/zinc/27/77/92/152277792.db2.gz OXDDGPJVBAPYPI-UHFFFAOYSA-N 2 0 326.824 1.673 20 0 EDADRP COCCN1CCN(C(=O)NC[C@H]2CCCn3ccnc32)C[C@H]1C ZINC000370141325 155344591 /nfs/dbraw/zinc/34/45/91/155344591.db2.gz GGDONHGLGZAYOG-HUUCEWRRSA-N 2 0 335.452 1.123 20 0 EDADRP C[NH2+]CCNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417160095 304379047 /nfs/dbraw/zinc/37/90/47/304379047.db2.gz XXESJUFYWKAHIE-UHFFFAOYSA-N 2 0 333.480 1.107 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417164237 304379817 /nfs/dbraw/zinc/37/98/17/304379817.db2.gz VOIKJDWMRUYHET-QGZVFWFLSA-N 2 0 347.507 1.231 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CCC[NH2+]1 ZINC000417177014 304380523 /nfs/dbraw/zinc/38/05/23/304380523.db2.gz CKSAVCSCTMQSAO-HKUYNNGSSA-N 2 0 348.491 1.227 20 0 EDADRP CC(C)NC(=O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000363608329 153011818 /nfs/dbraw/zinc/01/18/18/153011818.db2.gz ZJTGQXYLRBNURN-IYBDPMFKSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363635426 153018433 /nfs/dbraw/zinc/01/84/33/153018433.db2.gz WLIQBDATOXWNFN-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000363865907 153080385 /nfs/dbraw/zinc/08/03/85/153080385.db2.gz VQCMYEHBGYRSMO-RDJZCZTQSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)C[NH+]1CCCCC1 ZINC000417194507 304383031 /nfs/dbraw/zinc/38/30/31/304383031.db2.gz PFMRUKJZPKPMCM-KRWDZBQOSA-N 2 0 347.507 1.983 20 0 EDADRP CCN1CCO[C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)C1 ZINC000364715940 153312065 /nfs/dbraw/zinc/31/20/65/153312065.db2.gz UGSLVSZSHKUYHZ-KSZLIROESA-N 2 0 346.475 1.254 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000417231545 304386215 /nfs/dbraw/zinc/38/62/15/304386215.db2.gz NSLMIAWVSXEFLU-LJQANCHMSA-N 2 0 330.476 1.904 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000417299528 304391115 /nfs/dbraw/zinc/39/11/15/304391115.db2.gz RZOHSPDISBEWSM-SHTZXODSSA-N 2 0 326.485 1.162 20 0 EDADRP CC(C)Cn1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000367680923 154227154 /nfs/dbraw/zinc/22/71/54/154227154.db2.gz ARFZAGLQBSAEDC-UHFFFAOYSA-N 2 0 333.524 1.999 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000367688046 154230389 /nfs/dbraw/zinc/23/03/89/154230389.db2.gz YPQGVUSTHGMWBW-LAQRGFTBSA-N 2 0 331.460 1.774 20 0 EDADRP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000367949271 154338694 /nfs/dbraw/zinc/33/86/94/154338694.db2.gz CFNYNHBKBHLAPW-YALNPMBYSA-N 2 0 338.448 1.406 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417343778 304393024 /nfs/dbraw/zinc/39/30/24/304393024.db2.gz QTSUBJHNYMOVDI-SUMDDJOVSA-N 2 0 342.487 1.684 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)CN1CC[NH+](C)CC1 ZINC000369609929 155109201 /nfs/dbraw/zinc/10/92/01/155109201.db2.gz UZBSQUPSWINDIU-KZNAEPCWSA-N 2 0 333.524 1.919 20 0 EDADRP O=C(NCCCC[NH+]1CCCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369657890 155122645 /nfs/dbraw/zinc/12/26/45/155122645.db2.gz BULUFEYILKCJRQ-BZSNNMDCSA-N 2 0 334.508 1.988 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000417484442 304399491 /nfs/dbraw/zinc/39/94/91/304399491.db2.gz UUDUTLWVRGGXOX-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCN1Cc1ccccn1)C1=CC[N@H+](C)CC1 ZINC000371582387 156014111 /nfs/dbraw/zinc/01/41/11/156014111.db2.gz VAJXLJMVEWRUFB-YJBOKZPZSA-N 2 0 328.460 1.813 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000417502336 304400619 /nfs/dbraw/zinc/40/06/19/304400619.db2.gz BHAPTJPTLSUOFD-QGZVFWFLSA-N 2 0 348.491 1.563 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2cc(C)ncc2C)CC1=O ZINC000372164943 156250602 /nfs/dbraw/zinc/25/06/02/156250602.db2.gz NZNQHVQFIYEZCI-JKSUJKDBSA-N 2 0 344.459 1.392 20 0 EDADRP Cn1cc(-c2cc(CN3CCO[C@H]4C[C@H]([NH+](C)C)CC[C@@H]43)on2)cn1 ZINC000372190712 156263917 /nfs/dbraw/zinc/26/39/17/156263917.db2.gz GXMXLYOVLHFSKW-JLSDUUJJSA-N 2 0 345.447 1.759 20 0 EDADRP Cc1nc(CN2CCC[C@H]([N@H+](C)CCCn3ccnc3C)C2)no1 ZINC000372254721 156289209 /nfs/dbraw/zinc/28/92/09/156289209.db2.gz HVSWFVBQPDMRRU-INIZCTEOSA-N 2 0 332.452 1.869 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](CCN3CCO[C@H](C)C3)CC2)CC1 ZINC000374330286 157248180 /nfs/dbraw/zinc/24/81/80/157248180.db2.gz WSIFXNNXVTUUKU-GOSISDBHSA-N 2 0 338.540 1.199 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000374455247 157297012 /nfs/dbraw/zinc/29/70/12/157297012.db2.gz TWKVGYGHGVKAKO-AWEZNQCLSA-N 2 0 330.432 1.012 20 0 EDADRP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3C[NH2+]CCO3)CCC[N@@H+]2C)cc1 ZINC000374459192 157297927 /nfs/dbraw/zinc/29/79/27/157297927.db2.gz BZAOKWGAYYNJBB-BPQIPLTHSA-N 2 0 347.459 1.183 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000376695861 157817766 /nfs/dbraw/zinc/81/77/66/157817766.db2.gz RKWCDMTWBYTFOY-BBRMVZONSA-N 2 0 325.478 1.483 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCOCC1 ZINC000377892922 158022413 /nfs/dbraw/zinc/02/24/13/158022413.db2.gz FQJJRNKSFTVVQR-QGZVFWFLSA-N 2 0 329.460 1.426 20 0 EDADRP C[N@H+](Cc1c[nH]c2nccnc12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378126912 158086618 /nfs/dbraw/zinc/08/66/18/158086618.db2.gz DATBFBIDVKQLCO-INIZCTEOSA-N 2 0 328.464 1.510 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000417915383 304430708 /nfs/dbraw/zinc/43/07/08/304430708.db2.gz SRJRYOFBBHLULO-HUUCEWRRSA-N 2 0 326.485 1.181 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000352183669 162036669 /nfs/dbraw/zinc/03/66/69/162036669.db2.gz GUHVADPOUQTSMV-QGZVFWFLSA-N 2 0 347.507 1.616 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000352220673 162057470 /nfs/dbraw/zinc/05/74/70/162057470.db2.gz DCBZMIPBDOBRCT-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCCC1 ZINC000360668116 162296925 /nfs/dbraw/zinc/29/69/25/162296925.db2.gz DLZICPRCQQEXAB-WBVHZDCISA-N 2 0 342.553 1.843 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)CC1 ZINC000361335071 162302503 /nfs/dbraw/zinc/30/25/03/162302503.db2.gz JUIRYASNQAXARX-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(NCCCNc1ccccn1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365182687 162353210 /nfs/dbraw/zinc/35/32/10/162353210.db2.gz HQOCJPVIIQEYGL-CABCVRRESA-N 2 0 333.436 1.046 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418024488 304447725 /nfs/dbraw/zinc/44/77/25/304447725.db2.gz TZUCHHZWGNBZGJ-SJORKVTESA-N 2 0 340.512 1.376 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC1 ZINC000339930520 292522474 /nfs/dbraw/zinc/52/24/74/292522474.db2.gz ACYYXOLUUSRVIB-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000073664432 287262859 /nfs/dbraw/zinc/26/28/59/287262859.db2.gz LLDJCAVHOGERTL-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000075346551 287276954 /nfs/dbraw/zinc/27/69/54/287276954.db2.gz ORLBUUJILQDAQQ-DLBZAZTESA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@H](C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1)[NH+](CC)CC ZINC000359208598 287444827 /nfs/dbraw/zinc/44/48/27/287444827.db2.gz CFPSGWXGMJRASL-NVXWUHKLSA-N 2 0 327.513 1.658 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000121999182 221991639 /nfs/dbraw/zinc/99/16/39/221991639.db2.gz GWWARPYOVHPQKB-MSOLQXFVSA-N 2 0 337.508 1.602 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418397692 304491075 /nfs/dbraw/zinc/49/10/75/304491075.db2.gz DOJBJLQEAXKNSW-USXIJHARSA-N 2 0 336.455 1.801 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136762814 287580650 /nfs/dbraw/zinc/58/06/50/287580650.db2.gz RVFBRUZDGUHEDC-UHFFFAOYSA-N 2 0 348.491 1.874 20 0 EDADRP COc1cc2c(cc1OC)CN(CCNC(=O)[C@H]1CCCC[NH2+]1)CC2 ZINC000237409811 273009910 /nfs/dbraw/zinc/00/99/10/273009910.db2.gz HKAPMFNTBHHHFP-MRXNPFEDSA-N 2 0 347.459 1.320 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000195146197 267882896 /nfs/dbraw/zinc/88/28/96/267882896.db2.gz VZKFYXCSNAKFGR-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CCc1nnc(C)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000273592135 268060794 /nfs/dbraw/zinc/06/07/94/268060794.db2.gz MWZLVDRDRSRPNL-MRXNPFEDSA-N 2 0 347.507 1.836 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273033664 273025168 /nfs/dbraw/zinc/02/51/68/273025168.db2.gz FADMLEQVZKSJEB-SJLPKXTDSA-N 2 0 331.460 1.345 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCC2OCCO2)CC1 ZINC000274513419 268156050 /nfs/dbraw/zinc/15/60/50/268156050.db2.gz XKOFJXNSZHWAHU-UHFFFAOYSA-N 2 0 349.475 1.512 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)C1(C)C ZINC000275407753 268338635 /nfs/dbraw/zinc/33/86/35/268338635.db2.gz CPQOXDXGXNFHAR-GUYCJALGSA-N 2 0 329.404 1.738 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000275466100 268346910 /nfs/dbraw/zinc/34/69/10/268346910.db2.gz WKWRKBAJXDSUEA-YOEHRIQHSA-N 2 0 346.475 1.138 20 0 EDADRP Cn1ncc(Cl)c1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000275665995 273117476 /nfs/dbraw/zinc/11/74/76/273117476.db2.gz YGKCNQYLVCWCDC-UHFFFAOYSA-N 2 0 348.882 1.770 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCCC2)nc1 ZINC000104533978 272919676 /nfs/dbraw/zinc/91/96/76/272919676.db2.gz CYSWLYHFGFAQNO-UHFFFAOYSA-N 2 0 333.480 1.247 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277511540 273202842 /nfs/dbraw/zinc/20/28/42/273202842.db2.gz QDJVFBQGJXGUHF-RNIPGJKVSA-N 2 0 345.487 1.780 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC(O)CC1 ZINC000279547450 273306136 /nfs/dbraw/zinc/30/61/36/273306136.db2.gz NTIQMZLKKLKVTF-UHFFFAOYSA-N 2 0 346.475 1.261 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](CC2CCCC2)CC1)C(F)(F)F ZINC000655915452 452674244 /nfs/dbraw/zinc/67/42/44/452674244.db2.gz VDNNRHPPMFUQSC-ZDUSSCGKSA-N 2 0 336.402 1.830 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261695152 287684042 /nfs/dbraw/zinc/68/40/42/287684042.db2.gz HXNWYQICQLPUBQ-ZJPYXAASSA-N 2 0 336.524 1.521 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283894839 274001328 /nfs/dbraw/zinc/00/13/28/274001328.db2.gz KEWJNHBAQVPHFV-INIZCTEOSA-N 2 0 343.431 1.007 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)CCN2CC[NH+](C)CC2)C[C@H]1C ZINC000248649211 287775079 /nfs/dbraw/zinc/77/50/79/287775079.db2.gz VGIVDCBIMQAWDL-VSZNYVQBSA-N 2 0 339.524 1.970 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000347756897 276253565 /nfs/dbraw/zinc/25/35/65/276253565.db2.gz GHSAPOABQDOABS-HZPDHXFCSA-N 2 0 340.512 1.166 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000262001328 276690417 /nfs/dbraw/zinc/69/04/17/276690417.db2.gz PYHSMHZKNVEALM-ROUUACIJSA-N 2 0 331.460 1.491 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000341868310 277223177 /nfs/dbraw/zinc/22/31/77/277223177.db2.gz GWLPPIDLAXMXKL-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000342702299 277319612 /nfs/dbraw/zinc/31/96/12/277319612.db2.gz JJJFOGINXNGIML-CVEARBPZSA-N 2 0 333.432 1.220 20 0 EDADRP COc1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420461533 277414607 /nfs/dbraw/zinc/41/46/07/277414607.db2.gz UNLMFAVNHDSMHQ-UHFFFAOYSA-N 2 0 335.857 1.037 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cnn(C)c1 ZINC000355065056 278338437 /nfs/dbraw/zinc/33/84/37/278338437.db2.gz YOCJMGJAGOTPOE-RHSMWYFYSA-N 2 0 329.448 1.490 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000337528703 278341434 /nfs/dbraw/zinc/34/14/34/278341434.db2.gz CNTFIOWWWBYDEL-UKRRQHHQSA-N 2 0 331.526 1.557 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433465156 279034416 /nfs/dbraw/zinc/03/44/16/279034416.db2.gz ZLAWHLCFAKIABD-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CCC([NH3+])CC2)C1 ZINC000418386111 279109602 /nfs/dbraw/zinc/10/96/02/279109602.db2.gz MLAYEPZGQKWXFF-UYSNPLJNSA-N 2 0 326.485 1.399 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000352315538 279112230 /nfs/dbraw/zinc/11/22/30/279112230.db2.gz WNKNENZOSJSKDV-UHFFFAOYSA-N 2 0 327.494 1.509 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000418428622 279138067 /nfs/dbraw/zinc/13/80/67/279138067.db2.gz QKWXQSQZAXWUCQ-JKSUJKDBSA-N 2 0 339.528 1.170 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000331228198 279185849 /nfs/dbraw/zinc/18/58/49/279185849.db2.gz BUFQBZBYAXELPF-HNNXBMFYSA-N 2 0 343.475 1.853 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175364017 279309580 /nfs/dbraw/zinc/30/95/80/279309580.db2.gz PHJVKYWXFWUXOW-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+](C)Cc1ccccc1 ZINC000187164769 279335024 /nfs/dbraw/zinc/33/50/24/279335024.db2.gz YMGXIHRPRXMZMR-QGZVFWFLSA-N 2 0 348.491 1.528 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1)[NH+]1CCCCC1 ZINC000347152556 280145296 /nfs/dbraw/zinc/14/52/96/280145296.db2.gz YWBLAAXOKCRLSF-IAGOWNOFSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000287459611 288242837 /nfs/dbraw/zinc/24/28/37/288242837.db2.gz GZQYTAJNGWIJNL-HOTGVXAUSA-N 2 0 348.491 1.345 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000287525740 288257708 /nfs/dbraw/zinc/25/77/08/288257708.db2.gz DLDQTIIEPGVVSM-HNNXBMFYSA-N 2 0 333.480 1.900 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)c2ccccc2OC2CC2)CC1 ZINC000287744872 288312324 /nfs/dbraw/zinc/31/23/24/288312324.db2.gz LCYYHJLYSUZJAD-UHFFFAOYSA-N 2 0 331.460 1.984 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000289491745 288712656 /nfs/dbraw/zinc/71/26/56/288712656.db2.gz ADFJHSDUWCKUPL-MRXNPFEDSA-N 2 0 339.867 1.642 20 0 EDADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000289992010 288817087 /nfs/dbraw/zinc/81/70/87/288817087.db2.gz OVEZDUMWVHGKIZ-MRXNPFEDSA-N 2 0 348.447 1.413 20 0 EDADRP Cn1cc(N2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2=O)cn1 ZINC000291381904 289047811 /nfs/dbraw/zinc/04/78/11/289047811.db2.gz BDPJQBRPJHHLSC-QGZVFWFLSA-N 2 0 340.431 1.179 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000416360822 289113998 /nfs/dbraw/zinc/11/39/98/289113998.db2.gz LHSPWVPIUPTUCF-IKGGRYGDSA-N 2 0 345.553 1.710 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000291961695 289226442 /nfs/dbraw/zinc/22/64/42/289226442.db2.gz POBRBXMLWXZZFZ-GOSISDBHSA-N 2 0 331.464 1.773 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1cc(F)cc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000292119565 289265827 /nfs/dbraw/zinc/26/58/27/289265827.db2.gz GLPHIHVJYLTMLP-KQQUZDAGSA-N 2 0 348.422 1.938 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000292424527 289343329 /nfs/dbraw/zinc/34/33/29/289343329.db2.gz IGQVFTDIWNKHGY-RBUKOAKNSA-N 2 0 347.503 1.874 20 0 EDADRP C[C@H]1C[C@@H](O)CCN1CC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000292441138 289348220 /nfs/dbraw/zinc/34/82/20/289348220.db2.gz OLSXYITVNFAVEV-YJBOKZPZSA-N 2 0 347.459 1.303 20 0 EDADRP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000292630599 289399854 /nfs/dbraw/zinc/39/98/54/289399854.db2.gz YSBMFRYXDIWOHM-HZPDHXFCSA-N 2 0 330.432 1.752 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCO[C@H](C(F)(F)F)C3)C2)CC1 ZINC000367910908 289883703 /nfs/dbraw/zinc/88/37/03/289883703.db2.gz LZHZHIFTJLQFHI-YDHLFZDLSA-N 2 0 335.414 1.854 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000345765213 290083721 /nfs/dbraw/zinc/08/37/21/290083721.db2.gz YYZXYJTVFSYYJG-ZMSDIMECSA-N 2 0 340.512 1.203 20 0 EDADRP Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000354851091 294238914 /nfs/dbraw/zinc/23/89/14/294238914.db2.gz IKUQQVJYQDGUMI-ZJPYXAASSA-N 2 0 335.471 1.549 20 0 EDADRP CO[C@H](C)C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000354465163 294268406 /nfs/dbraw/zinc/26/84/06/294268406.db2.gz UVWSFHHVRBZBPK-IAGOWNOFSA-N 2 0 343.512 1.205 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333605557 295207004 /nfs/dbraw/zinc/20/70/04/295207004.db2.gz XDFSYWMWTZBSKE-RJFAQORQSA-N 2 0 344.503 1.796 20 0 EDADRP O=C(C[NH2+][C@H]1CCCC[C@H]1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000337422846 295523084 /nfs/dbraw/zinc/52/30/84/295523084.db2.gz RMVAIMXHIJNKGP-LSDHHAIUSA-N 2 0 345.434 1.869 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000418556187 304512903 /nfs/dbraw/zinc/51/29/03/304512903.db2.gz JDPCTCYTPTUKIN-WBVHZDCISA-N 2 0 340.512 1.659 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262853967 304577696 /nfs/dbraw/zinc/57/76/96/304577696.db2.gz VQTRXGWOLJXYIR-HZPDHXFCSA-N 2 0 331.464 1.366 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419524161 304630748 /nfs/dbraw/zinc/63/07/48/304630748.db2.gz PITYVEIXKMLBHM-GPANFISMSA-N 2 0 340.512 1.055 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420379870 304753737 /nfs/dbraw/zinc/75/37/37/304753737.db2.gz WACWQDQIZGBAFQ-CABCVRRESA-N 2 0 339.505 1.977 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000448475906 447323326 /nfs/dbraw/zinc/32/33/26/447323326.db2.gz WZOVCMAYFUAXMC-MRXNPFEDSA-N 2 0 333.480 1.583 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CC[NH2+][C@@H](C)C1)c1ccccc1 ZINC000419658945 447326537 /nfs/dbraw/zinc/32/65/37/447326537.db2.gz ZJIXRZUEVMJWSE-LSDHHAIUSA-N 2 0 346.475 1.052 20 0 EDADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCN(CCCO)C2)cc1 ZINC000295045066 303166474 /nfs/dbraw/zinc/16/64/74/303166474.db2.gz FDWDCKPZBSFFNX-NVXWUHKLSA-N 2 0 349.475 1.849 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(Cn2ccnc2)cc1 ZINC000295362005 303208919 /nfs/dbraw/zinc/20/89/19/303208919.db2.gz FVQYCABLQAPRGU-SFHVURJKSA-N 2 0 342.443 1.508 20 0 EDADRP C[C@@H]1[C@@H](O)CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296412268 303314880 /nfs/dbraw/zinc/31/48/80/303314880.db2.gz VGBLFQKDGQHZHU-APWZRJJASA-N 2 0 345.487 1.744 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000456214074 447331340 /nfs/dbraw/zinc/33/13/40/447331340.db2.gz ROTGZMYVDRLWNA-CALCHBBNSA-N 2 0 327.513 1.802 20 0 EDADRP Cc1cc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)on1 ZINC000299427051 303617262 /nfs/dbraw/zinc/61/72/62/303617262.db2.gz IMBOSHOCWPOWKD-UHFFFAOYSA-N 2 0 325.457 1.398 20 0 EDADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCCCCC1 ZINC000304304840 303752383 /nfs/dbraw/zinc/75/23/83/303752383.db2.gz IXJOBAMADKEKJX-IAGOWNOFSA-N 2 0 325.497 1.460 20 0 EDADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000416831199 303767744 /nfs/dbraw/zinc/76/77/44/303767744.db2.gz SIKJMXQGKLCMOO-INIZCTEOSA-N 2 0 349.479 1.011 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414879022 447340656 /nfs/dbraw/zinc/34/06/56/447340656.db2.gz OJBUNMMGEZNGFJ-INIZCTEOSA-N 2 0 330.432 1.219 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707131 304879088 /nfs/dbraw/zinc/87/90/88/304879088.db2.gz VSSOSFLQDSZIEN-UKRRQHHQSA-N 2 0 343.493 1.341 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCO[C@H]2C(C)C)CC[NH2+]CC1 ZINC000422960041 304881015 /nfs/dbraw/zinc/88/10/15/304881015.db2.gz ALGJAGWSXUARJM-JYJNAYRXSA-N 2 0 326.481 1.959 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC)N2CCCC2)CC[NH2+]CC1 ZINC000422962862 304881299 /nfs/dbraw/zinc/88/12/99/304881299.db2.gz GVKBYRTVIYERAV-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000423131534 304887904 /nfs/dbraw/zinc/88/79/04/304887904.db2.gz OCAOMIBQJJVKDK-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000423131330 304887992 /nfs/dbraw/zinc/88/79/92/304887992.db2.gz NSQRGBRSHSXANZ-JKSUJKDBSA-N 2 0 340.512 1.009 20 0 EDADRP C[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC[NH2+]CC1 ZINC000423751677 304908221 /nfs/dbraw/zinc/90/82/21/304908221.db2.gz VJCFDUKWCAZZKR-NVXWUHKLSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000423827572 304910861 /nfs/dbraw/zinc/91/08/61/304910861.db2.gz AGMOWSRAEOYKDU-FUHWJXTLSA-N 2 0 325.497 1.853 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424039343 304925906 /nfs/dbraw/zinc/92/59/06/304925906.db2.gz NPMUYIUXSVDBEB-ZWKOTPCHSA-N 3 0 344.503 1.614 20 0 EDADRP c1c(C[NH2+][C@@H]2CCCN(c3cccnn3)C2)onc1C1CC[NH2+]CC1 ZINC000425893980 304976367 /nfs/dbraw/zinc/97/63/67/304976367.db2.gz FCTMQYGHCKTHQB-OAHLLOKOSA-N 2 0 342.447 1.690 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000429684284 305034980 /nfs/dbraw/zinc/03/49/80/305034980.db2.gz MHLFMQCAJRNQRS-HUUCEWRRSA-N 2 0 337.430 1.790 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)NC23CC4CC(CC(C4)C2)C3)CC1 ZINC000430576884 305056864 /nfs/dbraw/zinc/05/68/64/305056864.db2.gz MXOKMJPHLQRLCJ-UHFFFAOYSA-N 2 0 349.519 1.901 20 0 EDADRP COc1cccc([C@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430621520 305059510 /nfs/dbraw/zinc/05/95/10/305059510.db2.gz DLQVHGOANWQFND-DOTOQJQBSA-N 2 0 331.460 1.900 20 0 EDADRP CC(C)c1ccc(OCCNC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1 ZINC000430640316 305060823 /nfs/dbraw/zinc/06/08/23/305060823.db2.gz QWYMXBPMSSPUNZ-UHFFFAOYSA-N 2 0 333.476 1.976 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)COC2C[NH2+]C2)CCCC1)c1ccccc1 ZINC000430701411 305062706 /nfs/dbraw/zinc/06/27/06/305062706.db2.gz VPRBBSVXWRIKPZ-OAHLLOKOSA-N 2 0 331.460 1.755 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)COC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000430734358 305063644 /nfs/dbraw/zinc/06/36/44/305063644.db2.gz MKPHHELEURIRNL-NVXWUHKLSA-N 2 0 331.460 1.486 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000430880199 305066828 /nfs/dbraw/zinc/06/68/28/305066828.db2.gz SEPNZNOZWFORBU-CVEARBPZSA-N 2 0 344.459 1.465 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])C2)c1 ZINC000430889529 305067110 /nfs/dbraw/zinc/06/71/10/305067110.db2.gz NVBCUGALKWLPTD-IRXDYDNUSA-N 2 0 349.475 1.387 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)CC1 ZINC000430928047 305068602 /nfs/dbraw/zinc/06/86/02/305068602.db2.gz SHUQXRBVYDTOKU-ZDUSSCGKSA-N 2 0 332.448 1.903 20 0 EDADRP CCOc1ccc(CN(C)C(=O)C[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000430928033 305068754 /nfs/dbraw/zinc/06/87/54/305068754.db2.gz SFGWKWHNNKCSRP-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430942633 305069679 /nfs/dbraw/zinc/06/96/79/305069679.db2.gz MOAINXRKOHCPOO-MAUKXSAKSA-N 2 0 348.466 1.534 20 0 EDADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)cc1OC ZINC000430949092 305070069 /nfs/dbraw/zinc/07/00/69/305070069.db2.gz BGOQQLRNHABBJX-AWEZNQCLSA-N 2 0 349.475 1.721 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059689 305073965 /nfs/dbraw/zinc/07/39/65/305073965.db2.gz CXDMQGLDCRSHFR-ILZDJORESA-N 2 0 345.487 1.954 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000433124910 305101038 /nfs/dbraw/zinc/10/10/38/305101038.db2.gz GUQAWQIQBOZZEV-UHFFFAOYSA-N 2 0 345.491 1.370 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)([NH+](C)C)C1 ZINC000433392851 305107619 /nfs/dbraw/zinc/10/76/19/305107619.db2.gz YTHCNCKZFDYDTN-RKVPGOIHSA-N 2 0 348.495 1.443 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000434486199 305123303 /nfs/dbraw/zinc/12/33/03/305123303.db2.gz XRCMMDNLBLBGJA-QGZVFWFLSA-N 2 0 346.537 1.492 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCC[C@H]2C)CC1 ZINC000438721492 305188660 /nfs/dbraw/zinc/18/86/60/305188660.db2.gz JKFSIBAWDBYHEW-HZPDHXFCSA-N 2 0 325.497 1.412 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000440171398 305204270 /nfs/dbraw/zinc/20/42/70/305204270.db2.gz PAUXKIZPJNNINC-KRWDZBQOSA-N 2 0 342.528 1.717 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000442890422 305230396 /nfs/dbraw/zinc/23/03/96/305230396.db2.gz ABIHKYZHKDPWTN-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000444374912 305247503 /nfs/dbraw/zinc/24/75/03/305247503.db2.gz NUVQVUGPQHNXBW-ZDUSSCGKSA-N 2 0 339.505 1.727 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[N@@H+]1CCCC[C@H]1C ZINC000446273760 305262405 /nfs/dbraw/zinc/26/24/05/305262405.db2.gz CKVCVCNDJWXGQG-RUEZSYAVSA-N 2 0 337.508 1.898 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000449103331 305306676 /nfs/dbraw/zinc/30/66/76/305306676.db2.gz ASEIFUZYEMJFDZ-GOEBONIOSA-N 2 0 325.497 1.722 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000449162502 305308426 /nfs/dbraw/zinc/30/84/26/305308426.db2.gz JGXWMZVJWFWNLR-VSVYTNTFSA-N 2 0 335.492 1.748 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@@H](C)O1 ZINC000449318653 305311203 /nfs/dbraw/zinc/31/12/03/305311203.db2.gz WSOABKZUAPTAEX-HLIPFELVSA-N 2 0 345.487 1.533 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000449346656 305312143 /nfs/dbraw/zinc/31/21/43/305312143.db2.gz BVMVLQIAYACXAA-BHYGNILZSA-N 2 0 325.497 1.445 20 0 EDADRP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CCOCC3CC3)C2)CC1 ZINC000451535297 305351797 /nfs/dbraw/zinc/35/17/97/305351797.db2.gz OHSGGFRGEKFAGZ-IBGZPJMESA-N 2 0 337.508 1.679 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471663101 305538394 /nfs/dbraw/zinc/53/83/94/305538394.db2.gz GUZJAKCMJCMBMM-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458410726 447351554 /nfs/dbraw/zinc/35/15/54/447351554.db2.gz FSTDCKOOKRZCAL-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000491906690 305581270 /nfs/dbraw/zinc/58/12/70/305581270.db2.gz QDADDVRRXKEZGC-HKMNZKMDSA-N 2 0 330.476 1.209 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000493810465 305627743 /nfs/dbraw/zinc/62/77/43/305627743.db2.gz AFBTYMHLLIGJNN-XHSDSOJGSA-N 2 0 333.476 1.986 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000514672010 305701750 /nfs/dbraw/zinc/70/17/50/305701750.db2.gz GWMYYCLGCLODHR-YQVWRLOYSA-N 2 0 331.460 1.821 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COCc2ccc(OC)cc2)CC1 ZINC000516454120 305736770 /nfs/dbraw/zinc/73/67/70/305736770.db2.gz NTPTXBHPQRZZBK-SFHVURJKSA-N 2 0 336.476 1.894 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000518497237 305761921 /nfs/dbraw/zinc/76/19/21/305761921.db2.gz DOXJQQYYWBFHJH-NVXWUHKLSA-N 2 0 346.475 1.835 20 0 EDADRP Cc1cnc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)s1 ZINC000449122061 447362406 /nfs/dbraw/zinc/36/24/06/447362406.db2.gz KGVDEYJMYKCZAR-UHFFFAOYSA-N 2 0 346.504 1.934 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000531863982 305969834 /nfs/dbraw/zinc/96/98/34/305969834.db2.gz SBBDSFZBGAVTTE-UHFFFAOYSA-N 2 0 347.438 1.731 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCCNc2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000535434168 306013628 /nfs/dbraw/zinc/01/36/28/306013628.db2.gz CJSRTISICZRKQH-ROUUACIJSA-N 2 0 339.443 1.660 20 0 EDADRP CN(CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1cc[nH+]cc1 ZINC000540927364 306041925 /nfs/dbraw/zinc/04/19/25/306041925.db2.gz GWHIRCHHXOFYQQ-MRXNPFEDSA-N 2 0 332.448 1.089 20 0 EDADRP C[C@H](O)[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H]([C@H](C)O)C3)COC2)C1 ZINC000542041660 306050664 /nfs/dbraw/zinc/05/06/64/306050664.db2.gz MWXNDKZMYGUTMT-XLAORIBOSA-N 2 0 340.508 1.189 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000542716275 306057046 /nfs/dbraw/zinc/05/70/46/306057046.db2.gz FETHAAIQBAKYOE-UHFFFAOYSA-N 2 0 345.553 1.901 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000548102188 306119895 /nfs/dbraw/zinc/11/98/95/306119895.db2.gz YBEXBGDBCMHWBP-IRXDYDNUSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)Cc1cccc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)c1 ZINC000553964508 306188218 /nfs/dbraw/zinc/18/82/18/306188218.db2.gz HQLPNWSDGOLTFA-UHFFFAOYSA-N 2 0 330.432 1.359 20 0 EDADRP CC[C@H](C(=O)NCC(=O)NCC[NH+]1CCCCCC1)[NH+](CC)CC ZINC000554452620 306191709 /nfs/dbraw/zinc/19/17/09/306191709.db2.gz BRMWYBHUFKTDDV-MRXNPFEDSA-N 2 0 340.512 1.215 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)N(C)CCC[NH+](C)C)([NH+](C)C)C1 ZINC000556662223 306212690 /nfs/dbraw/zinc/21/26/90/306212690.db2.gz GIITXVGEJMGJLN-CRAIPNDOSA-N 2 0 340.512 1.023 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000556886476 306220966 /nfs/dbraw/zinc/22/09/66/306220966.db2.gz VIGDMDMMOWOGPN-IXDOHACOSA-N 2 0 341.521 1.405 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000414946096 447369118 /nfs/dbraw/zinc/36/91/18/447369118.db2.gz SNCWTHFCKKSSFS-IUODEOHRSA-N 2 0 330.432 1.086 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414956739 447374024 /nfs/dbraw/zinc/37/40/24/447374024.db2.gz VPEAZDXOENCVKC-DVOMOZLQSA-N 2 0 333.432 1.920 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C[C@@H]1C ZINC000414968341 447378495 /nfs/dbraw/zinc/37/84/95/447378495.db2.gz FKIURIKXTUKAFH-HRCADAONSA-N 2 0 326.481 1.960 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C1 ZINC000426036824 447382862 /nfs/dbraw/zinc/38/28/62/447382862.db2.gz PRWZCEFYMBLDBU-HOCLYGCPSA-N 2 0 345.553 1.899 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000419771747 447403102 /nfs/dbraw/zinc/40/31/02/447403102.db2.gz GYGNIMAZUPDZBC-CABCVRRESA-N 2 0 340.512 1.055 20 0 EDADRP CCOCCN1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422247112 447421664 /nfs/dbraw/zinc/42/16/64/447421664.db2.gz VLPXRJHZSNTFCR-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1 ZINC000080565291 441180517 /nfs/dbraw/zinc/18/05/17/441180517.db2.gz JHICXRCYJDEUIJ-KRWDZBQOSA-N 2 0 333.480 1.639 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000080245364 441153735 /nfs/dbraw/zinc/15/37/35/441153735.db2.gz IURXGRDVHNAOOJ-HNNXBMFYSA-N 2 0 335.496 1.247 20 0 EDADRP C[C@H](C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1)N1CCN(C)CC1 ZINC000101653224 441160342 /nfs/dbraw/zinc/16/03/42/441160342.db2.gz XWROEWNHLJXZHS-IXDOHACOSA-N 2 0 338.540 1.495 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000105105806 441234466 /nfs/dbraw/zinc/23/44/66/441234466.db2.gz IQGWZKKOYCFCJP-RDJZCZTQSA-N 2 0 339.528 1.040 20 0 EDADRP C[C@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[N@H+](C)C1CC1 ZINC000081338858 441255496 /nfs/dbraw/zinc/25/54/96/441255496.db2.gz IJAVANLPJYVAOJ-MRXNPFEDSA-N 2 0 344.503 1.647 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000082991830 441344595 /nfs/dbraw/zinc/34/45/95/441344595.db2.gz RYZSLBOANMGFOQ-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081686163 441302345 /nfs/dbraw/zinc/30/23/45/441302345.db2.gz SFBGMVBPYXFKBR-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP Cc1cn2c(n1)CC[C@@H](NC(=O)[C@@H](Cc1ccccc1)[NH+](C)C)C2 ZINC000106914048 441389345 /nfs/dbraw/zinc/38/93/45/441389345.db2.gz KOFXJIQIOJKDMG-IAGOWNOFSA-N 2 0 326.444 1.795 20 0 EDADRP C[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(C)(C)C[NH+](C)C ZINC000085359482 441433907 /nfs/dbraw/zinc/43/39/07/441433907.db2.gz OBINKHJLHVUPEP-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)Cc1ccccc1 ZINC000052875094 441483784 /nfs/dbraw/zinc/48/37/84/441483784.db2.gz UJEDTDRWPFUYEI-LJQANCHMSA-N 2 0 347.503 1.982 20 0 EDADRP O=C(CN1CCC[C@H]1C[NH+]1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000066535469 441542500 /nfs/dbraw/zinc/54/25/00/441542500.db2.gz FMOUACHLPSPPRC-SFHVURJKSA-N 2 0 334.508 1.290 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000114179821 441639609 /nfs/dbraw/zinc/63/96/09/441639609.db2.gz FEURWDHOLMCYIJ-UHFFFAOYSA-N 2 0 333.432 1.802 20 0 EDADRP C[C@@H](NC(=O)c1ccnc(OCC[NH+](C)C)c1)C(C)(C)C[NH+](C)C ZINC000137231397 441757486 /nfs/dbraw/zinc/75/74/86/441757486.db2.gz ZJPYLPGKRAVQSY-CQSZACIVSA-N 2 0 336.480 1.728 20 0 EDADRP C[C@H]1C[C@@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000158803149 441765647 /nfs/dbraw/zinc/76/56/47/441765647.db2.gz FDQVKIMJIBGHIY-WDSOQIARSA-N 2 0 346.519 1.820 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000121723090 441765907 /nfs/dbraw/zinc/76/59/07/441765907.db2.gz HTQNERKITULWBP-QGZVFWFLSA-N 2 0 328.501 1.253 20 0 EDADRP Cc1nc(COc2ccc(C[NH2+]CC3(O)CC[NH+](C)CC3)cc2)no1 ZINC000077450323 441782826 /nfs/dbraw/zinc/78/28/26/441782826.db2.gz BGTQSGNGEFVHNT-UHFFFAOYSA-N 2 0 346.431 1.503 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000077546318 441802287 /nfs/dbraw/zinc/80/22/87/441802287.db2.gz XEJVZOSUPBVQON-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP COc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1OC ZINC000092615723 441813671 /nfs/dbraw/zinc/81/36/71/441813671.db2.gz JVJAMKUVMAYNSO-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)N1CCN(C)CC1 ZINC000121933205 441814590 /nfs/dbraw/zinc/81/45/90/441814590.db2.gz WMDPTYAOMYPWKU-MJGOQNOKSA-N 2 0 344.503 1.576 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(OC)cc3OC)C2)CC1 ZINC000093132623 441859352 /nfs/dbraw/zinc/85/93/52/441859352.db2.gz HPFCGTVUHPIJRN-KRWDZBQOSA-N 2 0 333.476 1.916 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118095874 441887201 /nfs/dbraw/zinc/88/72/01/441887201.db2.gz IUAGLRSEQYPNMS-KRWDZBQOSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@H]1C[C@H](N(C)CC(=O)Nc2ccc(C(=O)N(C)C)cc2)CC[N@@H+]1C ZINC000123437718 441887513 /nfs/dbraw/zinc/88/75/13/441887513.db2.gz WFZMBRQGXVSNDS-WMLDXEAASA-N 2 0 346.475 1.741 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000175077473 442002263 /nfs/dbraw/zinc/00/22/63/442002263.db2.gz PISZCEVQMWTDRG-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000151000881 441989178 /nfs/dbraw/zinc/98/91/78/441989178.db2.gz LALGFTDTAJQDLV-OAHLLOKOSA-N 2 0 343.479 1.339 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000151138017 442012900 /nfs/dbraw/zinc/01/29/00/442012900.db2.gz DCQATWCPQPYCRZ-UHFFFAOYSA-N 2 0 340.512 1.349 20 0 EDADRP Cc1cnc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000079082231 442017971 /nfs/dbraw/zinc/01/79/71/442017971.db2.gz WWAMFNUCPNSKBV-ZDUSSCGKSA-N 2 0 327.498 1.647 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000151798779 442121256 /nfs/dbraw/zinc/12/12/56/442121256.db2.gz HTDDAYRBZCPCNA-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000458670217 447446790 /nfs/dbraw/zinc/44/67/90/447446790.db2.gz XDALCIFPBQIFTE-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000163517304 442171694 /nfs/dbraw/zinc/17/16/94/442171694.db2.gz OZNNLXUBYKSXRP-WBVHZDCISA-N 3 0 338.540 1.543 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000152890942 442249780 /nfs/dbraw/zinc/24/97/80/442249780.db2.gz LXPSRBPKWMLOGC-KRWDZBQOSA-N 2 0 339.528 1.045 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H](C)N1CCc2ccccc2C1 ZINC000152468270 442216350 /nfs/dbraw/zinc/21/63/50/442216350.db2.gz WBYCPZDDLFHACP-INIZCTEOSA-N 2 0 333.476 1.518 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000128717312 442284328 /nfs/dbraw/zinc/28/43/28/442284328.db2.gz WZVSSIQASJFWGB-SJORKVTESA-N 2 0 345.491 1.050 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000171189190 442324790 /nfs/dbraw/zinc/32/47/90/442324790.db2.gz JATROWNBJBENJG-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000171236786 442331835 /nfs/dbraw/zinc/33/18/35/442331835.db2.gz FMTAPSCLIWMXDU-VVLHAWIVSA-N 2 0 325.497 1.721 20 0 EDADRP C[C@@H](CN1CCOCC1)NC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000129404432 442314902 /nfs/dbraw/zinc/31/49/02/442314902.db2.gz DHOZCHODKRAKBC-HNNXBMFYSA-N 2 0 338.496 1.413 20 0 EDADRP CCC[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CCN1CCOC ZINC000130929648 442359543 /nfs/dbraw/zinc/35/95/43/442359543.db2.gz WKILZDTWDRUWRG-JKSUJKDBSA-N 2 0 343.537 1.383 20 0 EDADRP Cc1cc(C)n2c(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cnc2n1 ZINC000134101432 442450990 /nfs/dbraw/zinc/45/09/90/442450990.db2.gz URGACTLWLPXSMX-UHFFFAOYSA-N 2 0 343.475 1.890 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000178849552 442501876 /nfs/dbraw/zinc/50/18/76/442501876.db2.gz IYWPLVNNOTVJCO-GOSISDBHSA-N 2 0 333.476 1.562 20 0 EDADRP Cn1cc([C@@H]([NH2+]CCCN2CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000180017844 442529216 /nfs/dbraw/zinc/52/92/16/442529216.db2.gz DYEHJJVGUNDJCZ-IBGZPJMESA-N 2 0 345.466 1.876 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186711353 442598348 /nfs/dbraw/zinc/59/83/48/442598348.db2.gz XTWNBXPCTHFXJO-APWZRJJASA-N 2 0 344.503 1.945 20 0 EDADRP CSC[C@H]1CCC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000135487958 442600988 /nfs/dbraw/zinc/60/09/88/442600988.db2.gz ABZHMQIAJYUYSE-HZPDHXFCSA-N 2 0 343.537 1.287 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000186733472 442602703 /nfs/dbraw/zinc/60/27/03/442602703.db2.gz SDWULZHADOHLQF-APWZRJJASA-N 2 0 333.476 1.897 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)(N2CCOCC2)C1 ZINC000193398840 442739052 /nfs/dbraw/zinc/73/90/52/442739052.db2.gz OQLVBBQTSORKGJ-YYZRRKBYSA-N 2 0 337.508 1.473 20 0 EDADRP C[N@H+](CCN1CC[NH+](CCC2OCCCO2)CC1)Cc1ccccc1 ZINC000267966132 442802212 /nfs/dbraw/zinc/80/22/12/442802212.db2.gz UPEHEGPSPFBLBO-UHFFFAOYSA-N 2 0 347.503 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[NH+](C)C2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000188545508 442762184 /nfs/dbraw/zinc/76/21/84/442762184.db2.gz JMGPNADEVSCOLU-OAHLLOKOSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CCOCC[NH+]1CCC[C@H]1C[C@H](C)O ZINC000246744313 442809935 /nfs/dbraw/zinc/80/99/35/442809935.db2.gz PSQHBJQSNHJNBY-XLAORIBOSA-N 2 0 328.497 1.474 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268028532 442823178 /nfs/dbraw/zinc/82/31/78/442823178.db2.gz LPCDYEILALHSTN-UHFFFAOYSA-N 2 0 340.468 1.321 20 0 EDADRP CCCNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967562 442856280 /nfs/dbraw/zinc/85/62/80/442856280.db2.gz NXLPEUNPVFHFJC-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP O=C(C[N@H+]1CC[C@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000265819211 442932696 /nfs/dbraw/zinc/93/26/96/442932696.db2.gz KOSPKAFHAFNZOX-SFHVURJKSA-N 2 0 331.460 1.213 20 0 EDADRP C[C@@H]1C[NH+](CCCNc2cc(-n3cccn3)nc(N)[nH+]2)C[C@@H](C)O1 ZINC000268409233 442978279 /nfs/dbraw/zinc/97/82/79/442978279.db2.gz OFQHCTVIKYSRDO-CHWSQXEVSA-N 2 0 331.424 1.156 20 0 EDADRP Cc1c(CN2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cnn1C ZINC000268912603 443144877 /nfs/dbraw/zinc/14/48/77/443144877.db2.gz NIBHZEMIULUFEJ-UHFFFAOYSA-N 2 0 341.503 1.978 20 0 EDADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268988903 443167261 /nfs/dbraw/zinc/16/72/61/443167261.db2.gz MCPOWOZIKYUBCA-LBPRGKRZSA-N 2 0 340.855 1.498 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269226900 443240656 /nfs/dbraw/zinc/24/06/56/443240656.db2.gz FKNRBQGRFCPIGC-LPHOPBHVSA-N 2 0 345.487 1.913 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000262854425 443214943 /nfs/dbraw/zinc/21/49/43/443214943.db2.gz SQYLQTBAFDRIDB-HOTGVXAUSA-N 2 0 331.464 1.508 20 0 EDADRP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(C(N)=O)cs2)C[C@H](C)O1 ZINC000269163243 443218107 /nfs/dbraw/zinc/21/81/07/443218107.db2.gz VQLDQINWSVARLS-STQMWFEESA-N 2 0 325.478 1.826 20 0 EDADRP CN(Cc1ccccc1)C1(C[NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC000387440095 319131559 /nfs/dbraw/zinc/13/15/59/319131559.db2.gz PJQOELXEGOOKJV-SFHVURJKSA-N 2 0 328.460 1.888 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000397492479 319134718 /nfs/dbraw/zinc/13/47/18/319134718.db2.gz ATHGRIOMCLAGBN-HNNXBMFYSA-N 2 0 341.496 1.822 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064052 319314798 /nfs/dbraw/zinc/31/47/98/319314798.db2.gz FHQORNRUNKEDBX-OLZOCXBDSA-N 2 0 342.281 1.931 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH+](C)C)cc1 ZINC000414466609 319328028 /nfs/dbraw/zinc/32/80/28/319328028.db2.gz WGRGKXGKIPSMDZ-HOTGVXAUSA-N 2 0 325.478 1.509 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000414665013 319338302 /nfs/dbraw/zinc/33/83/02/319338302.db2.gz DGGIQEGUHKKOBJ-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000415182846 319347969 /nfs/dbraw/zinc/34/79/69/319347969.db2.gz RGCFAYLYIBTTLU-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415242317 319356100 /nfs/dbraw/zinc/35/61/00/319356100.db2.gz UMKUCWFZXRDRFX-ZDUSSCGKSA-N 2 0 332.448 1.116 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000415244469 319356352 /nfs/dbraw/zinc/35/63/52/319356352.db2.gz XZNSJPPEWYQJCD-OAHLLOKOSA-N 2 0 347.463 1.453 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)c(C)c2)CC1 ZINC000269268278 443259530 /nfs/dbraw/zinc/25/95/30/443259530.db2.gz QQPQIISSESNWDQ-QGZVFWFLSA-N 2 0 346.475 1.454 20 0 EDADRP C[NH+]1CCC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000266868562 443273092 /nfs/dbraw/zinc/27/30/92/443273092.db2.gz WVICZHLYUOZCCK-UHFFFAOYSA-N 3 0 345.491 1.052 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000186055593 443304510 /nfs/dbraw/zinc/30/45/10/443304510.db2.gz AKWCBGNYZVUKFA-UHFFFAOYSA-N 2 0 347.503 1.719 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCCCC[NH3+])[NH+](C)C)cc1OC ZINC000416817381 319463744 /nfs/dbraw/zinc/46/37/44/319463744.db2.gz JVFILULMQQCHAY-CQSZACIVSA-N 2 0 338.452 1.345 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000272445833 443320567 /nfs/dbraw/zinc/32/05/67/443320567.db2.gz LWCWOKLQNXBERF-MJGOQNOKSA-N 2 0 342.487 1.780 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418569272 319506210 /nfs/dbraw/zinc/50/62/10/319506210.db2.gz HUUWWKBKXXUDQD-SIUPPRGNSA-N 2 0 348.466 1.816 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000418931272 319535237 /nfs/dbraw/zinc/53/52/37/319535237.db2.gz FTCOIDIABZHWIP-JKSUJKDBSA-N 2 0 340.512 1.201 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(=O)N[C@H](C)CC)CC[NH2+]CC1 ZINC000422699282 319733011 /nfs/dbraw/zinc/73/30/11/319733011.db2.gz CWCZUTIZWBQXTH-KGLIPLIRSA-N 2 0 327.469 1.202 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000273037831 443524568 /nfs/dbraw/zinc/52/45/68/443524568.db2.gz ULJZCUOTGPMSJI-HXUWFJFHSA-N 2 0 344.503 1.554 20 0 EDADRP Cc1[nH]nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1C ZINC000265167079 443556427 /nfs/dbraw/zinc/55/64/27/443556427.db2.gz CKHDNOOMVRUPGZ-UHFFFAOYSA-N 2 0 342.447 1.364 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000272367300 443604471 /nfs/dbraw/zinc/60/44/71/443604471.db2.gz ZZKCVXIDANEXOQ-SJORKVTESA-N 2 0 330.476 1.394 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000439344242 320045316 /nfs/dbraw/zinc/04/53/16/320045316.db2.gz DUHRTRGKQCRKQC-IAGOWNOFSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000439408309 320047087 /nfs/dbraw/zinc/04/70/87/320047087.db2.gz JUJLQMFVCREKQW-BZUAXINKSA-N 2 0 325.497 1.817 20 0 EDADRP O=C(CCc1ccoc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000439940058 320054676 /nfs/dbraw/zinc/05/46/76/320054676.db2.gz VPYUJNXNUMTHDH-UHFFFAOYSA-N 2 0 342.443 1.936 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC000441221239 320093151 /nfs/dbraw/zinc/09/31/51/320093151.db2.gz CRIFRSHBTLVZKO-IAGOWNOFSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)nc2)CC1 ZINC000444271237 320124230 /nfs/dbraw/zinc/12/42/30/320124230.db2.gz XVLCOMJGLITRJR-QFBILLFUSA-N 2 0 343.475 1.550 20 0 EDADRP CCN1C[C@@H]([NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)CC1=O ZINC000449517637 320193447 /nfs/dbraw/zinc/19/34/47/320193447.db2.gz LALVWMNYPKWYCI-KRWDZBQOSA-N 2 0 330.476 1.539 20 0 EDADRP CCOC(=O)c1coc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)c1 ZINC000449745150 320203938 /nfs/dbraw/zinc/20/39/38/320203938.db2.gz LLRJZPOMXXYOIP-UHFFFAOYSA-N 2 0 337.464 1.962 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]21 ZINC000457491322 320328081 /nfs/dbraw/zinc/32/80/81/320328081.db2.gz NSLUIMOZOIFLLI-SQNIBIBYSA-N 2 0 328.460 1.606 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000457741903 320334560 /nfs/dbraw/zinc/33/45/60/320334560.db2.gz LNIVETDIGFUPQJ-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000286266405 443679495 /nfs/dbraw/zinc/67/94/95/443679495.db2.gz VVGWLILAOZAUSD-ZWKOTPCHSA-N 2 0 331.460 1.617 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000276279216 443680780 /nfs/dbraw/zinc/68/07/80/443680780.db2.gz VDPPTKRBCRKGMH-UHFFFAOYSA-N 2 0 347.507 1.394 20 0 EDADRP [NH3+]CCC1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000516874684 320442662 /nfs/dbraw/zinc/44/26/62/320442662.db2.gz YELHGNCWXILQNY-UHFFFAOYSA-N 2 0 345.491 1.181 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000528046853 320532991 /nfs/dbraw/zinc/53/29/91/320532991.db2.gz AWBRZGUXNYFWAB-MRXNPFEDSA-N 2 0 325.478 1.367 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000276589100 443757933 /nfs/dbraw/zinc/75/79/33/443757933.db2.gz DLQDPECTABCMQI-OHDICMOHSA-N 2 0 345.487 1.504 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000529351193 320576167 /nfs/dbraw/zinc/57/61/67/320576167.db2.gz QVZPBDLBCFPVOG-OWCLPIDISA-N 2 0 336.480 1.199 20 0 EDADRP C[C@H](CNc1nc2c(c(NC[C@@H](C)[NH+](C)C)n1)SCC2)[NH+](C)C ZINC000288294899 443835180 /nfs/dbraw/zinc/83/51/80/443835180.db2.gz GXLGOJZIGRFIMR-VXGBXAGGSA-N 2 0 338.525 1.849 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530241063 320617281 /nfs/dbraw/zinc/61/72/81/320617281.db2.gz PFUNBHULFTWOCQ-GOSISDBHSA-N 2 0 331.460 1.637 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000298701788 443843713 /nfs/dbraw/zinc/84/37/13/443843713.db2.gz HJLFNURORBSGEK-UHFFFAOYSA-N 2 0 330.476 1.782 20 0 EDADRP C[N@@H+]1CCCN(C(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000298705120 443844557 /nfs/dbraw/zinc/84/45/57/443844557.db2.gz UJNDEHGGNAEYIN-SFHVURJKSA-N 2 0 330.476 1.998 20 0 EDADRP CC(C)c1noc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000531357258 320656617 /nfs/dbraw/zinc/65/66/17/320656617.db2.gz KTQFKYDSNUIJGY-UHFFFAOYSA-N 2 0 325.457 1.077 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CCN3C(=O)c4ccccc4C3=O)C2)C1 ZINC000293015808 443903435 /nfs/dbraw/zinc/90/34/35/443903435.db2.gz QEPVTWIKQQLJDX-IBGZPJMESA-N 2 0 327.428 1.700 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000288544731 443913551 /nfs/dbraw/zinc/91/35/51/443913551.db2.gz FNPXGOMBHFHBOV-INIZCTEOSA-N 2 0 333.432 1.179 20 0 EDADRP OC[C@@H]1CCCCN1c1cc(N2CC[C@H]([NH+]3CC=CC3)C2)ncn1 ZINC000277300312 443956737 /nfs/dbraw/zinc/95/67/37/443956737.db2.gz BWCHXARKLPBVAO-HOTGVXAUSA-N 2 0 329.448 1.278 20 0 EDADRP C[C@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(=O)NCC[NH+](C)C ZINC000552077762 320922987 /nfs/dbraw/zinc/92/29/87/320922987.db2.gz WWIKPTPGTRYLNP-HNNXBMFYSA-N 2 0 346.475 1.079 20 0 EDADRP C[NH+](C)Cc1cc(C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)ccc1F ZINC000557805886 321007540 /nfs/dbraw/zinc/00/75/40/321007540.db2.gz RQWODTXDANVWDJ-UHFFFAOYSA-N 2 0 348.422 1.498 20 0 EDADRP COC[C@@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299501822 444065165 /nfs/dbraw/zinc/06/51/65/444065165.db2.gz LXNUGCOHQVZBIZ-MRXNPFEDSA-N 2 0 349.479 1.270 20 0 EDADRP CCCOCc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000562736415 321074699 /nfs/dbraw/zinc/07/46/99/321074699.db2.gz QCYXSXBJWXCMIH-LJQANCHMSA-N 2 0 335.492 1.311 20 0 EDADRP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959347 321083742 /nfs/dbraw/zinc/08/37/42/321083742.db2.gz BESFYHNNDQNSJN-URLQWDBASA-N 2 0 344.459 1.636 20 0 EDADRP CN(C)c1[nH+]ccc2cc(NC[C@H](O)C[NH+]3CCN(C)CC3)ccc21 ZINC000563009934 321087638 /nfs/dbraw/zinc/08/76/38/321087638.db2.gz NYVOWHZCIQBGGO-KRWDZBQOSA-N 2 0 343.475 1.321 20 0 EDADRP CCCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC[NH2+]C1 ZINC000563099956 321095321 /nfs/dbraw/zinc/09/53/21/321095321.db2.gz ILJAGAYUJHVMMU-ROUUACIJSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C2CCN(CC[NH+](C)C)CC2)nc1 ZINC000564855612 321151646 /nfs/dbraw/zinc/15/16/46/321151646.db2.gz CYZLUZYERBCXHQ-UHFFFAOYSA-N 2 0 333.480 1.334 20 0 EDADRP CC(C)OC[C@@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000289273576 444093245 /nfs/dbraw/zinc/09/32/45/444093245.db2.gz FKGIWNCPSLMYOK-IRXDYDNUSA-N 2 0 349.475 1.921 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000565765726 321199679 /nfs/dbraw/zinc/19/96/79/321199679.db2.gz IGVPFSNYGQJOIA-QGZVFWFLSA-N 2 0 330.476 1.905 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000565881038 321204572 /nfs/dbraw/zinc/20/45/72/321204572.db2.gz BUCLSQDTMHMNSJ-CABCVRRESA-N 2 0 338.402 1.557 20 0 EDADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566110366 321216006 /nfs/dbraw/zinc/21/60/06/321216006.db2.gz ZXDMVXLVFJCTMF-MSOLQXFVSA-N 2 0 335.492 1.269 20 0 EDADRP Cn1nccc1[C@H]1[C@H](C[N@H+](C)C[C@H]2CCCNC2=O)CCCN1C ZINC000568848018 321308280 /nfs/dbraw/zinc/30/82/80/321308280.db2.gz SVGFZJHRPPQELF-ZMSDIMECSA-N 2 0 333.480 1.261 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)[C@@H]1CCC[NH2+]C1 ZINC000570039480 321335557 /nfs/dbraw/zinc/33/55/57/321335557.db2.gz XNYUBXPPOBMFSB-JKSUJKDBSA-N 2 0 345.491 1.798 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)N3CC[C@@H]([NH3+])C3)CCCCC2)CCO1 ZINC000570072124 321336616 /nfs/dbraw/zinc/33/66/16/321336616.db2.gz HPNQXGGXCCPFCQ-OAHLLOKOSA-N 2 0 338.496 1.543 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](c3nccn3C)C2)CC1 ZINC000570694557 321354250 /nfs/dbraw/zinc/35/42/50/321354250.db2.gz KDHIETATRLUIAV-HNNXBMFYSA-N 2 0 333.480 1.198 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000571246311 321379461 /nfs/dbraw/zinc/37/94/61/321379461.db2.gz MAOUJSBBVBWHRH-UHFFFAOYSA-N 2 0 333.455 1.937 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000299668961 444110484 /nfs/dbraw/zinc/11/04/84/444110484.db2.gz IQSWTVDXNJJCSW-UHFFFAOYSA-N 2 0 332.492 1.887 20 0 EDADRP CCc1oc(C(=O)OC)cc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289464773 444151555 /nfs/dbraw/zinc/15/15/55/444151555.db2.gz QLNHAQRGKJLFFI-UHFFFAOYSA-N 2 0 339.480 1.944 20 0 EDADRP C[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000289827781 444208670 /nfs/dbraw/zinc/20/86/70/444208670.db2.gz JPAOUIYKFHGEKW-WMZOPIPTSA-N 2 0 330.476 1.013 20 0 EDADRP CNc1cc(N2CCC[C@H]2CNc2cc[nH+]cc2C(N)=O)ncn1 ZINC000302020972 444200793 /nfs/dbraw/zinc/20/07/93/444200793.db2.gz HZRORFHPJICUIR-NSHDSACASA-N 2 0 327.392 1.093 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000296063252 444201896 /nfs/dbraw/zinc/20/18/96/444201896.db2.gz WBMIACVQXLLNOV-WWTUQBGBSA-N 2 0 337.489 1.871 20 0 EDADRP C[C@H](O)[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H]([C@H](C)O)C2)C1 ZINC000305672237 444271983 /nfs/dbraw/zinc/27/19/83/444271983.db2.gz XSWNEXXMQJOBCA-XLAORIBOSA-N 2 0 328.497 1.189 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000289953706 444224017 /nfs/dbraw/zinc/22/40/17/444224017.db2.gz PJVYQCNLMIKOCK-MRXNPFEDSA-N 2 0 333.432 1.892 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000303242564 444235123 /nfs/dbraw/zinc/23/51/23/444235123.db2.gz CEQZKSUDJDRNPC-HOTGVXAUSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000303450503 444237415 /nfs/dbraw/zinc/23/74/15/444237415.db2.gz CPSAPRJXXNJOGS-SFHVURJKSA-N 2 0 325.497 1.140 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)ccc1OCC[NH+](C)C ZINC000577400302 321649979 /nfs/dbraw/zinc/64/99/79/321649979.db2.gz VOELUNOIWKBSEM-DZGCQCFKSA-N 2 0 335.448 1.250 20 0 EDADRP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000305834720 444282830 /nfs/dbraw/zinc/28/28/30/444282830.db2.gz WFXRQYGWCJODHK-DAYGRLMNSA-N 2 0 340.512 1.251 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000297861374 444342694 /nfs/dbraw/zinc/34/26/94/444342694.db2.gz PYAMCKHTKXWYFX-ROUUACIJSA-N 2 0 348.491 1.435 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000331027886 444364759 /nfs/dbraw/zinc/36/47/59/444364759.db2.gz WJBNNGPJOORIDL-OWCLPIDISA-N 2 0 325.497 1.599 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCN1CCCC1 ZINC000340473272 444392530 /nfs/dbraw/zinc/39/25/30/444392530.db2.gz NYIDMSJTNOCVFD-LBPRGKRZSA-N 2 0 328.254 1.685 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000331218582 444447780 /nfs/dbraw/zinc/44/77/80/444447780.db2.gz HOLWGAMIRJBXBX-CJNGLKHVSA-N 2 0 343.468 1.376 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)Cc2ccccc2C1 ZINC000579814711 321973294 /nfs/dbraw/zinc/97/32/94/321973294.db2.gz BHSNNYTXUSGXIH-MRXNPFEDSA-N 2 0 344.503 1.775 20 0 EDADRP C[C@@H](CNC(=O)NCC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000580300203 322032840 /nfs/dbraw/zinc/03/28/40/322032840.db2.gz YWWCEVVCPMUKRT-HNNXBMFYSA-N 2 0 330.476 1.732 20 0 EDADRP C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580300424 322032873 /nfs/dbraw/zinc/03/28/73/322032873.db2.gz KTQSHQPDJBIEHW-YDHLFZDLSA-N 2 0 344.450 1.936 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2C(=O)NC3(CCCC3)C2=O)[C@@H]2CCC[C@@H]21 ZINC000580341004 322039666 /nfs/dbraw/zinc/03/96/66/322039666.db2.gz JGJHSVKYNALCJA-KKUMJFAQSA-N 2 0 334.464 1.313 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000580560206 322067743 /nfs/dbraw/zinc/06/77/43/322067743.db2.gz UDMMKTWVYUINGO-KRWDZBQOSA-N 2 0 339.528 1.029 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000581180915 322145473 /nfs/dbraw/zinc/14/54/73/322145473.db2.gz XFVPARFFXOJHAT-KRWDZBQOSA-N 2 0 331.464 1.821 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccccc2F)CCCO1 ZINC000581247063 322153947 /nfs/dbraw/zinc/15/39/47/322153947.db2.gz OFAVPPFDLZBGBH-JKSUJKDBSA-N 2 0 340.439 1.656 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCC[NH2+]1 ZINC000581487543 322183682 /nfs/dbraw/zinc/18/36/82/322183682.db2.gz USFLBMMMKZHTEV-AEFFLSMTSA-N 2 0 332.448 1.023 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000581715423 322212574 /nfs/dbraw/zinc/21/25/74/322212574.db2.gz FDPBYVDNPIQOMY-WMZOPIPTSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332226033 444505520 /nfs/dbraw/zinc/50/55/20/444505520.db2.gz BYRBOOQMQZAGCL-BZUAXINKSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1ccc(NC[C@H](O)C[N@H+](C)C2CC2)cc1NC(=O)CC[NH+](C)C ZINC000581939660 322235262 /nfs/dbraw/zinc/23/52/62/322235262.db2.gz SKPOZGMTHLWEPX-KRWDZBQOSA-N 2 0 348.491 1.752 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342131473 444525281 /nfs/dbraw/zinc/52/52/81/444525281.db2.gz HXNVGYTZCDGGEG-RNIPGJKVSA-N 2 0 345.487 1.938 20 0 EDADRP CC(C)COC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343707964 444534614 /nfs/dbraw/zinc/53/46/14/444534614.db2.gz CAPJPEOVQJBDRR-WMZOPIPTSA-N 2 0 327.513 1.120 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000342158177 444539413 /nfs/dbraw/zinc/53/94/13/444539413.db2.gz GZOHABVHAVLKSR-KRWDZBQOSA-N 2 0 330.476 1.827 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(CC[NH+](C)C)CC2)cc1 ZINC000338164423 444543417 /nfs/dbraw/zinc/54/34/17/444543417.db2.gz HCNDINMTXNTYHZ-UHFFFAOYSA-N 2 0 346.519 1.848 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000343823105 444611823 /nfs/dbraw/zinc/61/18/23/444611823.db2.gz SZWWIACZCNBNGC-HLLBOEOZSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341057040 444656051 /nfs/dbraw/zinc/65/60/51/444656051.db2.gz NOIKOJWOHCHKBW-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000341108496 444678387 /nfs/dbraw/zinc/67/83/87/444678387.db2.gz IVWMVUINRIVHNE-UHFFFAOYSA-N 2 0 328.501 1.515 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)COC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343876983 444640840 /nfs/dbraw/zinc/64/08/40/444640840.db2.gz WQQSEFCLCCANKM-IKGGRYGDSA-N 2 0 327.513 1.120 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000341123076 444684833 /nfs/dbraw/zinc/68/48/33/444684833.db2.gz KRFPNSFJDZMHRP-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP CC[C@H]1CCCCN1C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344040537 444744079 /nfs/dbraw/zinc/74/40/79/444744079.db2.gz VFALQLGXUMNJTA-KRWDZBQOSA-N 2 0 326.529 1.593 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@H](O)Cc1ccccc1 ZINC000344134933 444800038 /nfs/dbraw/zinc/80/00/38/444800038.db2.gz RKIWDUOYGFYREL-HXUWFJFHSA-N 2 0 333.520 1.940 20 0 EDADRP COc1cnc(NCC(C)(C)[NH+](C)C)nc1NCC(C)(C)[NH+](C)C ZINC000341390535 444808127 /nfs/dbraw/zinc/80/81/27/444808127.db2.gz ULOOCAJBQMTSEU-UHFFFAOYSA-N 2 0 338.500 1.989 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COC2CCOCC2)CC1 ZINC000336873445 444817925 /nfs/dbraw/zinc/81/79/25/444817925.db2.gz TUMCDTITLCZJDX-QGZVFWFLSA-N 2 0 328.497 1.597 20 0 EDADRP Cn1cc(Cl)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000625541286 450417580 /nfs/dbraw/zinc/41/75/80/450417580.db2.gz YLEGHYVOKWHDPE-UHFFFAOYSA-N 2 0 329.876 1.419 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000342772857 444859945 /nfs/dbraw/zinc/85/99/45/444859945.db2.gz BDEVCZKHBHXBJE-NXHRZFHOSA-N 2 0 335.492 1.715 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1[NH+](C)C ZINC000342951826 444962843 /nfs/dbraw/zinc/96/28/43/444962843.db2.gz SKOJUJDGWQLKTG-CXAGYDPISA-N 2 0 336.455 1.979 20 0 EDADRP CC(=O)NC1CCC([N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337312234 445027427 /nfs/dbraw/zinc/02/74/27/445027427.db2.gz DVEFLZHXHGWFAG-UHFFFAOYSA-N 2 0 338.540 1.782 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000343013912 445006131 /nfs/dbraw/zinc/00/61/31/445006131.db2.gz GTFQAMMVYHEODT-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079131 445047098 /nfs/dbraw/zinc/04/70/98/445047098.db2.gz OSVXNUXXLQMCJI-QUCCMNQESA-N 2 0 330.520 1.734 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341882523 445051171 /nfs/dbraw/zinc/05/11/71/445051171.db2.gz CNEULVZZJODNLE-WMZOPIPTSA-N 2 0 333.476 1.244 20 0 EDADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCO[C@@H]1C ZINC000337380141 445055733 /nfs/dbraw/zinc/05/57/33/445055733.db2.gz YEZPWPYLUVWSJV-MSOLQXFVSA-N 2 0 327.513 1.528 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000343093545 445059162 /nfs/dbraw/zinc/05/91/62/445059162.db2.gz XOISNJXNPZJUFN-LJQANCHMSA-N 2 0 342.487 1.111 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@H]2C[C@@H](OC)C[NH+]2C)C1 ZINC000344530136 445037872 /nfs/dbraw/zinc/03/78/72/445037872.db2.gz YDSGPLOQJGQCEX-BZUAXINKSA-N 2 0 326.485 1.079 20 0 EDADRP Cn1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000343195268 445126914 /nfs/dbraw/zinc/12/69/14/445126914.db2.gz OPBRIAVBTICPKV-UHFFFAOYSA-N 2 0 328.464 1.507 20 0 EDADRP COc1ccc([C@@H]2CCCN2C(=O)CNCC2([NH3+])CCC2)cc1OC ZINC000342099303 445171382 /nfs/dbraw/zinc/17/13/82/445171382.db2.gz JCZCGFUYKSAKOP-HNNXBMFYSA-N 2 0 347.459 1.838 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@H]1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000343281937 445177207 /nfs/dbraw/zinc/17/72/07/445177207.db2.gz QQOUQHFZSHERNX-HKUYNNGSSA-N 2 0 348.491 1.542 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000345548620 445190445 /nfs/dbraw/zinc/19/04/45/445190445.db2.gz DWLOPMVSVBWNMY-JQHSSLGASA-N 2 0 335.492 1.573 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000347686787 445245026 /nfs/dbraw/zinc/24/50/26/445245026.db2.gz ACRPRFXYFYNWGY-JKSUJKDBSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347695528 445245334 /nfs/dbraw/zinc/24/53/34/445245334.db2.gz BQPYEKHQNYVZAX-ZACQAIPSSA-N 2 0 325.497 1.439 20 0 EDADRP CC[C@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[NH+](CC)CC ZINC000354510911 445271268 /nfs/dbraw/zinc/27/12/68/445271268.db2.gz MMUJNSNQPAWRBH-MRXNPFEDSA-N 2 0 326.529 1.639 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000343631173 445271515 /nfs/dbraw/zinc/27/15/15/445271515.db2.gz NKWBFSYMTOYPHV-HZPDHXFCSA-N 2 0 327.513 1.874 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@@H]2C[NH+]2CCCC2)C1 ZINC000348108188 445271645 /nfs/dbraw/zinc/27/16/45/445271645.db2.gz JUNLBTGBXCYLAA-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000354531591 445282863 /nfs/dbraw/zinc/28/28/63/445282863.db2.gz ZNDNPTCIEXADOV-HNNXBMFYSA-N 2 0 348.491 1.574 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000348140841 445287148 /nfs/dbraw/zinc/28/71/48/445287148.db2.gz DWRSJLZNLPRQGW-UHFFFAOYSA-N 2 0 333.480 1.247 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@H](C)[C@H](O)C3)CC2)cc1 ZINC000351812189 445330640 /nfs/dbraw/zinc/33/06/40/445330640.db2.gz PBERSZCWHQJCOF-PKOBYXMFSA-N 2 0 345.487 1.342 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354682633 445339430 /nfs/dbraw/zinc/33/94/30/445339430.db2.gz VLNSYUMZIHFOMA-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP COc1cc(NC(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849120 445342291 /nfs/dbraw/zinc/34/22/91/445342291.db2.gz FOTVQHBBEFLYLL-NEPJUHHUSA-N 2 0 337.420 1.320 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348237421 445324910 /nfs/dbraw/zinc/32/49/10/445324910.db2.gz CZLBLDSLYYIMIX-PMACEKPBSA-N 2 0 331.504 1.770 20 0 EDADRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@H]1CCOC(C)(C)C1 ZINC000351950599 445394798 /nfs/dbraw/zinc/39/47/98/445394798.db2.gz WOOAPGUPBNXWOF-INIZCTEOSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000362563296 445441088 /nfs/dbraw/zinc/44/10/88/445441088.db2.gz XVQWSTTXDAYPNR-CVEARBPZSA-N 2 0 341.459 1.389 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000352040764 445456216 /nfs/dbraw/zinc/45/62/16/445456216.db2.gz WGBKJWDSUDAQET-CVEARBPZSA-N 2 0 332.448 1.135 20 0 EDADRP Cc1cc(NC(=O)CCOC2C[NH2+]C2)ccc1OCC[NH+]1CCCC1 ZINC000348996378 445470526 /nfs/dbraw/zinc/47/05/26/445470526.db2.gz XNSMAUIPHQJVDN-UHFFFAOYSA-N 2 0 347.459 1.787 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CCCC2)CC1 ZINC000362760428 445536391 /nfs/dbraw/zinc/53/63/91/445536391.db2.gz QXBNFLYNBFICAH-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000352114917 445501777 /nfs/dbraw/zinc/50/17/77/445501777.db2.gz FGCDBYCBKYSBRQ-VDZJLULYSA-N 2 0 349.523 1.190 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC000360108775 445571966 /nfs/dbraw/zinc/57/19/66/445571966.db2.gz ASSVCHWPBMXMNY-QGZVFWFLSA-N 2 0 346.519 1.870 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000360125648 445581874 /nfs/dbraw/zinc/58/18/74/445581874.db2.gz QBMGPOYGBMPJEH-HUUCEWRRSA-N 2 0 328.501 1.202 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)N[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000355964360 445547723 /nfs/dbraw/zinc/54/77/23/445547723.db2.gz QBCCGCDUECNBLC-QGZVFWFLSA-N 2 0 341.544 1.383 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000360164337 445604380 /nfs/dbraw/zinc/60/43/80/445604380.db2.gz SCTKKTPVOJOJSW-IYBDPMFKSA-N 2 0 340.512 1.214 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000356086285 445611746 /nfs/dbraw/zinc/61/17/46/445611746.db2.gz BWQJEYDEKDSRPS-UHFFFAOYSA-N 2 0 336.480 1.373 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356127710 445635950 /nfs/dbraw/zinc/63/59/50/445635950.db2.gz DWGRPBRESAFZJI-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000358534026 445638787 /nfs/dbraw/zinc/63/87/87/445638787.db2.gz KADHGDKYEMDJFZ-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878418 445593272 /nfs/dbraw/zinc/59/32/72/445593272.db2.gz VWTFWVHTTHVRKU-KDOFPFPSSA-N 2 0 331.460 1.780 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CCC[NH+](CCCOC)CC2)C1 ZINC000363252061 445741065 /nfs/dbraw/zinc/74/10/65/445741065.db2.gz OOOQJMBFDFMUJU-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000353779740 445751381 /nfs/dbraw/zinc/75/13/81/445751381.db2.gz RBRGIKRHKPYFLV-ZWKOTPCHSA-N 2 0 346.519 1.649 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469761 445774845 /nfs/dbraw/zinc/77/48/45/445774845.db2.gz NKZFCLUVFBWAIO-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358865575 445819317 /nfs/dbraw/zinc/81/93/17/445819317.db2.gz MZKSTVGCWJLBCV-KRWDZBQOSA-N 2 0 336.455 1.010 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)[C@H]1C ZINC000353944669 445821895 /nfs/dbraw/zinc/82/18/95/445821895.db2.gz LMBPEIAYABWDFA-XSLAGTTESA-N 2 0 339.524 1.826 20 0 EDADRP C[N@H+](C[C@@H](O)Cc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000363481547 445822774 /nfs/dbraw/zinc/82/27/74/445822774.db2.gz TUBBSDZEKYPDLE-UXHICEINSA-N 2 0 331.504 1.690 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000350174477 445785609 /nfs/dbraw/zinc/78/56/09/445785609.db2.gz KAQWKUJOJNODIP-ZDUSSCGKSA-N 2 0 349.479 1.697 20 0 EDADRP CC[C@@H](C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000363496327 445832309 /nfs/dbraw/zinc/83/23/09/445832309.db2.gz OMQWHRWIWYXZIR-ROUUACIJSA-N 2 0 332.492 1.432 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)[C@H](C)C1 ZINC000353904634 445807209 /nfs/dbraw/zinc/80/72/09/445807209.db2.gz AXERHNXGDOQOFX-IAGOWNOFSA-N 2 0 328.497 1.645 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000363448459 445807554 /nfs/dbraw/zinc/80/75/54/445807554.db2.gz YXHIFCATMIDROP-HZPDHXFCSA-N 2 0 325.497 1.674 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000358859648 445815506 /nfs/dbraw/zinc/81/55/06/445815506.db2.gz SYJGFKXGNILTLP-DLBZAZTESA-N 2 0 337.439 1.341 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[NH+](CC)CC ZINC000358918982 445848101 /nfs/dbraw/zinc/84/81/01/445848101.db2.gz LKXXEIUKYKCPEM-MRXNPFEDSA-N 2 0 333.480 1.892 20 0 EDADRP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000363538124 445849982 /nfs/dbraw/zinc/84/99/82/445849982.db2.gz MOALGXYELXTDPY-BSDSXHPESA-N 2 0 325.497 1.186 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000582052010 325761055 /nfs/dbraw/zinc/76/10/55/325761055.db2.gz DFSFQMPXJSTONB-OIISXLGYSA-N 2 0 335.423 1.014 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000582117245 325777648 /nfs/dbraw/zinc/77/76/48/325777648.db2.gz JOQSWLQHCNQPHH-KRWDZBQOSA-N 2 0 333.476 1.316 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nc(C)c(C)nc1C ZINC000361761237 445922531 /nfs/dbraw/zinc/92/25/31/445922531.db2.gz WSCNBHVDCVYDSF-KRWDZBQOSA-N 2 0 347.507 1.890 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000365043992 445989295 /nfs/dbraw/zinc/98/92/95/445989295.db2.gz IOYHIMCLPYWQLS-FGTMMUONSA-N 2 0 331.460 1.174 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000369210206 445996349 /nfs/dbraw/zinc/99/63/49/445996349.db2.gz UONDFEFEVFINTR-SFHVURJKSA-N 2 0 333.476 1.688 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000369258527 446026017 /nfs/dbraw/zinc/02/60/17/446026017.db2.gz WKXQIBMRBIOYMM-YVSFHVDLSA-N 2 0 336.524 1.532 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[C@H]([NH3+])c1ccccc1 ZINC000583084142 325996562 /nfs/dbraw/zinc/99/65/62/325996562.db2.gz YGSZABIIYZDMBC-XKQJLSEDSA-N 2 0 342.447 1.236 20 0 EDADRP C[C@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)[C@H]([NH3+])c1ccccc1 ZINC000583203663 326025945 /nfs/dbraw/zinc/02/59/45/326025945.db2.gz QCQWDLJEBARKRG-NBMRYCAZSA-N 2 0 331.460 1.677 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000359223429 446053492 /nfs/dbraw/zinc/05/34/92/446053492.db2.gz RYLUOWBANQHLHG-LJQANCHMSA-N 2 0 344.503 1.648 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000583431200 326071378 /nfs/dbraw/zinc/07/13/78/326071378.db2.gz DVLLVKZUMVPCLJ-QUCCMNQESA-N 2 0 345.487 1.830 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000583682319 326116699 /nfs/dbraw/zinc/11/66/99/326116699.db2.gz FBYROSIJYRABSC-ROUUACIJSA-N 2 0 346.475 1.111 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000356836172 446057585 /nfs/dbraw/zinc/05/75/85/446057585.db2.gz HBWPEIJPTBZGPQ-QZTJIDSGSA-N 2 0 332.492 1.998 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H]1CCc2cncn2C1 ZINC000583937476 326169532 /nfs/dbraw/zinc/16/95/32/326169532.db2.gz NWWXXCMUUCKUKS-GJZGRUSLSA-N 2 0 332.448 1.157 20 0 EDADRP COC[C@H](C)OC[C@@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000373148605 446058574 /nfs/dbraw/zinc/05/85/74/446058574.db2.gz XOMZCFPKDCBEMK-OTWHNJEPSA-N 2 0 342.524 1.843 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177131 446063400 /nfs/dbraw/zinc/06/34/00/446063400.db2.gz DJVQVRFZCVBDEC-MRXNPFEDSA-N 2 0 345.491 1.567 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)cc2C1 ZINC000584173542 326213986 /nfs/dbraw/zinc/21/39/86/326213986.db2.gz HCHSVDVSUBIQQZ-GOEBONIOSA-N 2 0 340.431 1.271 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@@H]2CN(C3CC3)CCO2)CC1 ZINC000366179079 446065680 /nfs/dbraw/zinc/06/56/80/446065680.db2.gz PGZQQWLINRBMLT-MRXNPFEDSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@H]1CN(C(=O)CCc2ccncn2)CCN1C1CC[NH+](C)CC1 ZINC000365239409 446095200 /nfs/dbraw/zinc/09/52/00/446095200.db2.gz FAQRIYNXIYSGMD-HNNXBMFYSA-N 2 0 331.464 1.036 20 0 EDADRP c1ccc(-c2nnn(CCCCC[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359270628 446108068 /nfs/dbraw/zinc/10/80/68/446108068.db2.gz FPJSBPLLKHVPBS-IRXDYDNUSA-N 2 0 326.448 1.662 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](C)C1CC1 ZINC000373262521 446130682 /nfs/dbraw/zinc/13/06/82/446130682.db2.gz XRSOKASWBZFZBN-CABCVRRESA-N 2 0 338.496 1.364 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564592 446162684 /nfs/dbraw/zinc/16/26/84/446162684.db2.gz SVPLBUKYORFVKB-HOCLYGCPSA-N 2 0 337.489 1.605 20 0 EDADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+]1CCCCCC1 ZINC000369681726 446146810 /nfs/dbraw/zinc/14/68/10/446146810.db2.gz PFUOBOYUWNBXDW-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000366327170 446154216 /nfs/dbraw/zinc/15/42/16/446154216.db2.gz SPVGPRAREPVBSH-KZNAEPCWSA-N 2 0 330.476 1.927 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000365339727 446156915 /nfs/dbraw/zinc/15/69/15/446156915.db2.gz MPGBRILSDBYBPQ-DJIMGWMZSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(COc1ccccc1CN1C[C@H]2C[NH2+]C[C@H]2C1)NCC1CC1 ZINC000359472867 446244628 /nfs/dbraw/zinc/24/46/28/446244628.db2.gz MOUFHNGOQRAQQX-CALCHBBNSA-N 2 0 329.444 1.243 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(=O)OC ZINC000354453631 446215881 /nfs/dbraw/zinc/21/58/81/446215881.db2.gz XVMDOGJHDRSECT-HUUCEWRRSA-N 2 0 327.469 1.060 20 0 EDADRP C[NH+](C)C1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CCC2(F)F)C1 ZINC000354454130 446216178 /nfs/dbraw/zinc/21/61/78/446216178.db2.gz KMRQGONCMXZZOT-MRXNPFEDSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC[NH2+]1 ZINC000373514163 446244727 /nfs/dbraw/zinc/24/47/27/446244727.db2.gz IKJVFHZMMZIRIS-RDJZCZTQSA-N 2 0 330.476 1.593 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)[C@H]1Oc1ccccc1 ZINC000359618665 446322211 /nfs/dbraw/zinc/32/22/11/446322211.db2.gz HODVSVGGZFJZOY-KZNAEPCWSA-N 2 0 334.460 1.658 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000417529297 446362773 /nfs/dbraw/zinc/36/27/73/446362773.db2.gz QPRPSAIZGUEKBC-INIZCTEOSA-N 2 0 334.464 1.078 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000417547969 446363519 /nfs/dbraw/zinc/36/35/19/446363519.db2.gz HNXJPEORFOYBPF-DOTOQJQBSA-N 2 0 326.485 1.175 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@H](C)[C@H](C)[NH3+])CCCC2)CC1 ZINC000417547669 446363845 /nfs/dbraw/zinc/36/38/45/446363845.db2.gz OYFUNIFOLNARFW-UONOGXRCSA-N 2 0 326.485 1.445 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]([NH3+])C2CC2)[C@H](C)C1 ZINC000417666494 446369921 /nfs/dbraw/zinc/36/99/21/446369921.db2.gz CXUHTWJDDIQIAK-BMFZPTHFSA-N 2 0 326.485 1.160 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000417946160 446394351 /nfs/dbraw/zinc/39/43/51/446394351.db2.gz GHSCCFAWNYNFSN-GDBMZVCRSA-N 2 0 349.479 1.148 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000418058746 446427118 /nfs/dbraw/zinc/42/71/18/446427118.db2.gz QZSSIJGQPCDEHT-LJQANCHMSA-N 2 0 330.476 1.686 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418067791 446430066 /nfs/dbraw/zinc/43/00/66/446430066.db2.gz BZTUWQLOALKEQC-QGZVFWFLSA-N 2 0 334.464 1.186 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000370777834 446434676 /nfs/dbraw/zinc/43/46/76/446434676.db2.gz CLKZFOFWEMMIRI-UHFFFAOYSA-N 2 0 334.468 1.069 20 0 EDADRP COc1ccc([C@H](N[C@H]2CCC[N@H+](CCCO)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423147755 446440759 /nfs/dbraw/zinc/44/07/59/446440759.db2.gz SSBXDLGRBJOOSD-SXLOBPIMSA-N 2 0 347.503 1.925 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](C[C@@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281263 446448008 /nfs/dbraw/zinc/44/80/08/446448008.db2.gz ABYXQOHIQHSNDJ-HUUCEWRRSA-N 2 0 329.435 1.956 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417981813 446407252 /nfs/dbraw/zinc/40/72/52/446407252.db2.gz ANVDCYOAONQWHZ-YJBOKZPZSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374829817 446410012 /nfs/dbraw/zinc/41/00/12/446410012.db2.gz VNTDUXHEFPBWKH-AEFFLSMTSA-N 2 0 330.476 1.854 20 0 EDADRP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)n1 ZINC000411145989 446410035 /nfs/dbraw/zinc/41/00/35/446410035.db2.gz DGTISEFYLHRDPA-GJZGRUSLSA-N 2 0 330.432 1.688 20 0 EDADRP C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012645 446415719 /nfs/dbraw/zinc/41/57/19/446415719.db2.gz SJLMYSWHAQGMDP-QGTPRVQTSA-N 2 0 330.476 1.934 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418043897 446423282 /nfs/dbraw/zinc/42/32/82/446423282.db2.gz ZGKQZNGZBNRLAY-ZWKOTPCHSA-N 2 0 348.491 1.431 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000370764713 446423635 /nfs/dbraw/zinc/42/36/35/446423635.db2.gz ZTFCEVJJUMLMBD-RBUKOAKNSA-N 2 0 345.487 1.979 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000418050572 446425074 /nfs/dbraw/zinc/42/50/74/446425074.db2.gz WPMRRLTXJJZTMN-NVXWUHKLSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@H](C[NH3+])C1 ZINC000418192239 446455681 /nfs/dbraw/zinc/45/56/81/446455681.db2.gz MEEFSTMQGURTOM-HOCLYGCPSA-N 2 0 349.479 1.291 20 0 EDADRP C[C@H]1CN(CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000420292741 446455836 /nfs/dbraw/zinc/45/58/36/446455836.db2.gz PVLIXLAGNPVBSO-YOEHRIQHSA-N 2 0 326.444 1.563 20 0 EDADRP CC[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000420317143 446481292 /nfs/dbraw/zinc/48/12/92/446481292.db2.gz NIZUMFVRISNQML-HNNXBMFYSA-N 2 0 332.448 1.905 20 0 EDADRP CCN(CC)C(=O)C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420310972 446473596 /nfs/dbraw/zinc/47/35/96/446473596.db2.gz VPHMNWBDYPVUAP-OALUTQOASA-N 2 0 347.503 1.498 20 0 EDADRP O=C1[C@@H]([N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000420310563 446473621 /nfs/dbraw/zinc/47/36/21/446473621.db2.gz MIQZGFHLVRJIJH-VBQJREDUSA-N 2 0 335.398 1.607 20 0 EDADRP O=C(CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000420310496 446473792 /nfs/dbraw/zinc/47/37/92/446473792.db2.gz VCIYSQKAAGKVAU-HNNXBMFYSA-N 2 0 334.439 1.381 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN([C@@H](C)CS(C)(=O)=O)C2CC2)cc1 ZINC000420311930 446476215 /nfs/dbraw/zinc/47/62/15/446476215.db2.gz WJBXJLWJOOMGQF-DZGCQCFKSA-N 2 0 340.489 1.635 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418283500 446483267 /nfs/dbraw/zinc/48/32/67/446483267.db2.gz KNSNPSLGQVCWGQ-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000420323189 446489218 /nfs/dbraw/zinc/48/92/18/446489218.db2.gz FUWAMRVFNSOSFR-QUCCMNQESA-N 2 0 345.487 1.564 20 0 EDADRP FC(F)n1ccnc1CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420323622 446489751 /nfs/dbraw/zinc/48/97/51/446489751.db2.gz UMHWYAFGQQQIFR-AWEZNQCLSA-N 2 0 327.423 1.786 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000423364152 446502283 /nfs/dbraw/zinc/50/22/83/446502283.db2.gz YZGYGGJYGMJRMY-UHFFFAOYSA-N 2 0 344.463 1.399 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000423371813 446505446 /nfs/dbraw/zinc/50/54/46/446505446.db2.gz FURQGVJPZBDBOA-GJZGRUSLSA-N 2 0 331.464 1.577 20 0 EDADRP [NH3+][C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000418335357 446505951 /nfs/dbraw/zinc/50/59/51/446505951.db2.gz ZLYXVEMLGXXHOG-QGZVFWFLSA-N 2 0 327.432 1.561 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCO[C@@H]2CCCC[C@@H]21 ZINC000420340159 446512488 /nfs/dbraw/zinc/51/24/88/446512488.db2.gz SASPGKMRCWZPSZ-OKZBNKHCSA-N 2 0 335.492 1.620 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329069 446497589 /nfs/dbraw/zinc/49/75/89/446497589.db2.gz GAJDHHUBZZUMTJ-GASCZTMLSA-N 2 0 330.432 1.046 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000423354782 446498049 /nfs/dbraw/zinc/49/80/49/446498049.db2.gz GXLLJYPNWAYNJI-UIBIWLFHSA-N 2 0 339.524 1.954 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1cc(F)cc(F)c1 ZINC000420329724 446499163 /nfs/dbraw/zinc/49/91/63/446499163.db2.gz OVOOHIXTJXLLGX-HUUCEWRRSA-N 2 0 337.414 1.903 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350402 446560017 /nfs/dbraw/zinc/56/00/17/446560017.db2.gz FCIUNHYCKHKHJN-PKOBYXMFSA-N 2 0 346.519 1.822 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000423410559 446522180 /nfs/dbraw/zinc/52/21/80/446522180.db2.gz SCQKODZGCHZUAE-HNNXBMFYSA-N 2 0 325.497 1.772 20 0 EDADRP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349097 446524747 /nfs/dbraw/zinc/52/47/47/446524747.db2.gz NSJPYDXCZNRPDA-KSZLIROESA-N 2 0 344.503 1.540 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418391576 446525726 /nfs/dbraw/zinc/52/57/26/446525726.db2.gz CCCBFGJTRKUPRU-QAPCUYQASA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H](CNC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420349518 446525773 /nfs/dbraw/zinc/52/57/73/446525773.db2.gz PIXSAAHHCNJFTL-AOIWGVFYSA-N 2 0 344.503 1.274 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418400623 446529526 /nfs/dbraw/zinc/52/95/26/446529526.db2.gz YCEUYMSTIZBHEV-OAGGEKHMSA-N 2 0 340.512 1.373 20 0 EDADRP Cc1ccccc1C[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420352221 446531184 /nfs/dbraw/zinc/53/11/84/446531184.db2.gz ZEILGZIWJJKMQY-PKOBYXMFSA-N 2 0 344.503 1.022 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC(C)(C)[NH3+] ZINC000418413409 446534533 /nfs/dbraw/zinc/53/45/33/446534533.db2.gz JKXVCCUSRRMOEW-MRXNPFEDSA-N 2 0 333.480 1.815 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000418421806 446538881 /nfs/dbraw/zinc/53/88/81/446538881.db2.gz CXPCNPFDFCRBGG-ZWKOTPCHSA-N 2 0 348.491 1.829 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C(C)(C)C)no1 ZINC000433154823 446539195 /nfs/dbraw/zinc/53/91/95/446539195.db2.gz CBCJVGUUVAZWJN-GFCCVEGCSA-N 2 0 337.468 1.748 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CC(=O)N(c3ccccc3)C2)CC1 ZINC000433162505 446540556 /nfs/dbraw/zinc/54/05/56/446540556.db2.gz ZUJLXTYTKCDSFC-INIZCTEOSA-N 2 0 344.459 1.111 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1cn[nH]c1 ZINC000453109417 446544877 /nfs/dbraw/zinc/54/48/77/446544877.db2.gz PLEGKERDPQSYMI-OAHLLOKOSA-N 2 0 329.452 1.453 20 0 EDADRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423457372 446545627 /nfs/dbraw/zinc/54/56/27/446545627.db2.gz OWYRHDNTLLOPQM-IRWQIABSSA-N 2 0 331.460 1.993 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000418454311 446549308 /nfs/dbraw/zinc/54/93/08/446549308.db2.gz QCRREXMZBLRQLY-GOSISDBHSA-N 2 0 346.475 1.440 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccccc1 ZINC000418454313 446549563 /nfs/dbraw/zinc/54/95/63/446549563.db2.gz QCRREXMZBLRQLY-SFHVURJKSA-N 2 0 346.475 1.440 20 0 EDADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423480354 446552208 /nfs/dbraw/zinc/55/22/08/446552208.db2.gz VUCVCDDZTDQGQA-MDNKFWRPSA-N 2 0 347.478 1.875 20 0 EDADRP COc1ccccc1OCC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420392950 446569214 /nfs/dbraw/zinc/56/92/14/446569214.db2.gz WRQWSDGRJJEHTE-CVEARBPZSA-N 2 0 332.444 1.774 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)c1 ZINC000423572430 446581115 /nfs/dbraw/zinc/58/11/15/446581115.db2.gz XFCLURITIHLNRG-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418563406 446595603 /nfs/dbraw/zinc/59/56/03/446595603.db2.gz VCYPYMXYXMMJNU-DOTOQJQBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C[NH+](C)C ZINC000453759726 446642083 /nfs/dbraw/zinc/64/20/83/446642083.db2.gz KDYFJEZHXPCJEQ-GUYCJALGSA-N 2 0 346.475 1.488 20 0 EDADRP C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000420476597 446649258 /nfs/dbraw/zinc/64/92/58/446649258.db2.gz IPAGQUYVNRTLSP-HIFRSBDPSA-N 2 0 325.478 1.354 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418696914 446651461 /nfs/dbraw/zinc/65/14/61/446651461.db2.gz LBYRFMGNPKOKNE-LAQRGFTBSA-N 2 0 330.476 1.886 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000418696496 446651900 /nfs/dbraw/zinc/65/19/00/446651900.db2.gz KYOOUAJLNXTQJE-HUUCEWRRSA-N 2 0 334.464 1.648 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C1 ZINC000418743251 446665557 /nfs/dbraw/zinc/66/55/57/446665557.db2.gz SHPCNBNIMJMDKF-STQMWFEESA-N 2 0 336.427 1.111 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090274 446620567 /nfs/dbraw/zinc/62/05/67/446620567.db2.gz WUETYFZWHTZVGO-RDTXWAMCSA-N 2 0 328.460 1.957 20 0 EDADRP CC[C@@H](C(=O)NC[C@]1(COC)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423640555 446621875 /nfs/dbraw/zinc/62/18/75/446621875.db2.gz VXCXYLMEMHMBLS-HKUYNNGSSA-N 2 0 333.476 1.782 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCCN(CC(=O)N2CCOCC2)CC1 ZINC000371097526 446626639 /nfs/dbraw/zinc/62/66/39/446626639.db2.gz FWKUBGGNUKQWNO-IBGZPJMESA-N 2 0 345.487 1.832 20 0 EDADRP OCc1cn(CCC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nn1 ZINC000368085440 446631171 /nfs/dbraw/zinc/63/11/71/446631171.db2.gz UHQGSQGPRIZMIK-UHFFFAOYSA-N 2 0 335.496 1.795 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423755455 446685517 /nfs/dbraw/zinc/68/55/17/446685517.db2.gz FGIRVCVHLILAIY-UHFFFAOYSA-N 3 0 338.540 1.913 20 0 EDADRP O=C([C@H]1COCCN1CC1CCC1)N1CCC[C@@H](n2ccnc2)C1 ZINC000376750629 446695461 /nfs/dbraw/zinc/69/54/61/446695461.db2.gz UBKASXBNVZVYJF-IAGOWNOFSA-N 2 0 332.448 1.548 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418786767 446701943 /nfs/dbraw/zinc/70/19/43/446701943.db2.gz JIAOGHZLYVCLBF-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418794032 446706008 /nfs/dbraw/zinc/70/60/08/446706008.db2.gz QQJRUCCSBSZMME-INIZCTEOSA-N 2 0 338.452 1.121 20 0 EDADRP Cc1c(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)nnn1C1CC[NH2+]CC1 ZINC000371262770 446724450 /nfs/dbraw/zinc/72/44/50/446724450.db2.gz PUWUWALCFGFREV-HOTGVXAUSA-N 2 0 346.479 1.210 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[NH2+]C[C@H]1C)c1ccccc1 ZINC000418841004 446745677 /nfs/dbraw/zinc/74/56/77/446745677.db2.gz FYHFJLCEGIUUFX-WBVHZDCISA-N 2 0 346.475 1.006 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000423890761 446747406 /nfs/dbraw/zinc/74/74/06/446747406.db2.gz IWIIVYBNOUQFRU-SJLPKXTDSA-N 2 0 347.459 1.327 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917410 446767102 /nfs/dbraw/zinc/76/71/02/446767102.db2.gz ZMXRWHWBNYCLLF-QYZOEREBSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@@H](C(=O)NC(C)(C)C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368335367 446793046 /nfs/dbraw/zinc/79/30/46/446793046.db2.gz YUSZOBAODRHKNR-INIZCTEOSA-N 2 0 338.540 1.639 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)C(=O)NCCC[NH3+])c2ccccc2)CC1 ZINC000418948793 446820899 /nfs/dbraw/zinc/82/08/99/446820899.db2.gz QVRSHKKGIDMTNP-QGZVFWFLSA-N 2 0 346.475 1.041 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@H]1[NH+](C)C ZINC000371364472 446808160 /nfs/dbraw/zinc/80/81/60/446808160.db2.gz NROFYVPHNZLVNT-UMVBOHGHSA-N 2 0 331.551 1.318 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)[C@H](C)C1 ZINC000424146404 446860447 /nfs/dbraw/zinc/86/04/47/446860447.db2.gz PPQHJEZFJWAMPF-YCPHGPKFSA-N 2 0 334.468 1.005 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424144552 446860637 /nfs/dbraw/zinc/86/06/37/446860637.db2.gz LRVAONNQABLAFJ-HOTGVXAUSA-N 2 0 347.507 1.595 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000419018012 446869735 /nfs/dbraw/zinc/86/97/35/446869735.db2.gz BICLFGVWELMAPM-LSDHHAIUSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC[NH2+]1 ZINC000368451862 446871251 /nfs/dbraw/zinc/87/12/51/446871251.db2.gz YHBWNKAVOFNPRN-WDSOQIARSA-N 2 0 344.503 1.479 20 0 EDADRP COC1(C[NH2+]CCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCOCC1 ZINC000368461426 446877670 /nfs/dbraw/zinc/87/76/70/446877670.db2.gz IRJCLSXPMFMOEZ-LJQANCHMSA-N 2 0 347.503 1.760 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000442718915 446942185 /nfs/dbraw/zinc/94/21/85/446942185.db2.gz MEFKMKLOEVQLAL-IBGZPJMESA-N 2 0 331.460 1.224 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000372108978 447006255 /nfs/dbraw/zinc/00/62/55/447006255.db2.gz VPRSWGOPLIQNFB-AWEZNQCLSA-N 2 0 332.448 1.258 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229105 447020063 /nfs/dbraw/zinc/02/00/63/447020063.db2.gz NPPXFGZKMBONNE-JKSUJKDBSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000454821016 446977147 /nfs/dbraw/zinc/97/71/47/446977147.db2.gz QYMHBEXUQDHXHB-WMLDXEAASA-N 2 0 334.464 1.003 20 0 EDADRP C[C@H](C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372099443 447000661 /nfs/dbraw/zinc/00/06/61/447000661.db2.gz UVYDISXFPHYMQE-YTQUADARSA-N 2 0 344.503 1.561 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000377389472 447106105 /nfs/dbraw/zinc/10/61/05/447106105.db2.gz HDECVILDGSPMJR-BMFZPTHFSA-N 2 0 329.448 1.350 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000368738660 447076453 /nfs/dbraw/zinc/07/64/53/447076453.db2.gz BADURAAPOIYCLC-KZNAEPCWSA-N 2 0 336.524 1.536 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444167209 447085428 /nfs/dbraw/zinc/08/54/28/447085428.db2.gz DKYKNYHXACKULO-NSHGMRRFSA-N 2 0 327.472 1.667 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@@H]1CC1(C)C ZINC000419322335 447087375 /nfs/dbraw/zinc/08/73/75/447087375.db2.gz SFEHTCSYIVWLTG-ULQDDVLXSA-N 2 0 339.524 1.874 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419404752 447156015 /nfs/dbraw/zinc/15/60/15/447156015.db2.gz GHKUUUZIEUXDIM-HZPDHXFCSA-N 2 0 340.512 1.203 20 0 EDADRP CCCC[C@H](C(=O)OC)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375893578 447127346 /nfs/dbraw/zinc/12/73/46/447127346.db2.gz ZZQQEIJNAHQZCJ-DLBZAZTESA-N 2 0 325.497 1.819 20 0 EDADRP [NH3+][C@@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000368817657 447130487 /nfs/dbraw/zinc/13/04/87/447130487.db2.gz NSZVJOJPZFANBL-ZJPYXAASSA-N 2 0 329.444 1.368 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419481630 447213722 /nfs/dbraw/zinc/21/37/22/447213722.db2.gz WOOKISJMAKLVQA-XNIRIUNOSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCCC1 ZINC000369046245 447285099 /nfs/dbraw/zinc/28/50/99/447285099.db2.gz FDKKZRIRRFMRQN-IXDOHACOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@H](C)[N@H+]1C ZINC000458719807 447460741 /nfs/dbraw/zinc/46/07/41/447460741.db2.gz MTYFEKAMNAYGTH-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCC(=O)NC2(C)C)(N2CCCCC2)CC1 ZINC000495086551 447476965 /nfs/dbraw/zinc/47/69/65/447476965.db2.gz QZDIHIKNEVHVRL-MRXNPFEDSA-N 2 0 336.524 1.584 20 0 EDADRP COC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000389885366 447487993 /nfs/dbraw/zinc/48/79/93/447487993.db2.gz RAPXKNDMJDPCBP-DOTOQJQBSA-N 2 0 331.460 1.392 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)c1 ZINC000415515109 447490586 /nfs/dbraw/zinc/49/05/86/447490586.db2.gz CYRQJMVMLAVUQW-ZBFHGGJFSA-N 2 0 346.475 1.663 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000415523336 447495982 /nfs/dbraw/zinc/49/59/82/447495982.db2.gz YEMPPCWEADBPRN-HNNXBMFYSA-N 2 0 348.447 1.126 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000419952868 447510216 /nfs/dbraw/zinc/51/02/16/447510216.db2.gz KFGGDSFXCWALLH-CQSZACIVSA-N 2 0 340.512 1.056 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000392329751 447521940 /nfs/dbraw/zinc/52/19/40/447521940.db2.gz AJMRFBSEEFLVPY-HOCLYGCPSA-N 2 0 332.448 1.170 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C(C)C ZINC000457424228 447577931 /nfs/dbraw/zinc/57/79/31/447577931.db2.gz OQMWENTWBQNFNA-INIZCTEOSA-N 2 0 328.501 1.251 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000427322561 447581127 /nfs/dbraw/zinc/58/11/27/447581127.db2.gz UHERYDJJOIESAR-HNNXBMFYSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416813390 447691318 /nfs/dbraw/zinc/69/13/18/447691318.db2.gz FDSITOTZZLIKHK-YJBOKZPZSA-N 2 0 348.491 1.987 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000416836854 447694854 /nfs/dbraw/zinc/69/48/54/447694854.db2.gz WHYKUSRBJVZUEK-UHFFFAOYSA-N 2 0 333.480 1.733 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)CN1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422641952 447685166 /nfs/dbraw/zinc/68/51/66/447685166.db2.gz YTSDRMUFOAUTQU-KKUMJFAQSA-N 2 0 347.459 1.741 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416815014 447690544 /nfs/dbraw/zinc/69/05/44/447690544.db2.gz HIDBMLARXLFHPB-QAPCUYQASA-N 2 0 332.448 1.812 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000416939070 447716242 /nfs/dbraw/zinc/71/62/42/447716242.db2.gz GNWAJBCUMVUMGN-OWCLPIDISA-N 2 0 326.485 1.317 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+][C@H]1C)[NH+]1CCOCC1 ZINC000416943685 447720000 /nfs/dbraw/zinc/72/00/00/447720000.db2.gz COZDSAOJLVIUBE-UAGQMJEPSA-N 2 0 340.512 1.563 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000416948757 447722301 /nfs/dbraw/zinc/72/23/01/447722301.db2.gz PYGIXWYXYADKBK-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000422724624 447730154 /nfs/dbraw/zinc/73/01/54/447730154.db2.gz WGFAKCWAOAVJRF-MJGOQNOKSA-N 2 0 333.476 1.615 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417023944 447731089 /nfs/dbraw/zinc/73/10/89/447731089.db2.gz PSYVLJRVTKDJKQ-WMZOPIPTSA-N 2 0 347.507 1.354 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@@H]1CC[NH2+]C1 ZINC000422735161 447732886 /nfs/dbraw/zinc/73/28/86/447732886.db2.gz VQHSGGVXLIHDKO-GOEBONIOSA-N 2 0 327.432 1.609 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750691 447738610 /nfs/dbraw/zinc/73/86/10/447738610.db2.gz AIQVSKGRNNRICE-SMDDNHRTSA-N 2 0 331.869 1.335 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(N(C)C)CCCC2)CC[NH2+]CC1 ZINC000422777316 447748005 /nfs/dbraw/zinc/74/80/05/447748005.db2.gz CBXKBKPIIXYXCO-HNNXBMFYSA-N 2 0 325.497 1.772 20 0 EDADRP CCOC(=O)N1CCC([NH2+]C2CCC([NH+]3CCNCC3)CC2)CC1 ZINC000496252889 447749306 /nfs/dbraw/zinc/74/93/06/447749306.db2.gz ICLVDVCYKNKXHM-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000422841616 447766831 /nfs/dbraw/zinc/76/68/31/447766831.db2.gz DIIMNPPRTXPMQB-UHFFFAOYSA-N 2 0 344.503 1.832 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845386 447767281 /nfs/dbraw/zinc/76/72/81/447767281.db2.gz NWPAHJBDFLKYHE-IEBWSBKVSA-N 2 0 344.503 1.832 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(=O)N(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000422924041 447773341 /nfs/dbraw/zinc/77/33/41/447773341.db2.gz XMFGTETVUDLFCV-KBPBESRZSA-N 2 0 339.480 1.297 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422947462 447777851 /nfs/dbraw/zinc/77/78/51/447777851.db2.gz QEBIPEPKNUCHAP-KZNAEPCWSA-N 2 0 331.460 1.935 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944244 447777875 /nfs/dbraw/zinc/77/78/75/447777875.db2.gz ZQIJBHZSCOWCIS-ZBFHGGJFSA-N 2 0 325.478 1.380 20 0 EDADRP CN(Cc1ccc(OC(F)F)cc1)C(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000430578283 447780341 /nfs/dbraw/zinc/78/03/41/447780341.db2.gz AQFWTMUOGMIMGF-KRWDZBQOSA-N 2 0 341.402 1.963 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+]C2CCC(C[NH3+])CC2)CC1 ZINC000422961235 447781400 /nfs/dbraw/zinc/78/14/00/447781400.db2.gz BEXUYGBBFDDFPG-UHFFFAOYSA-N 2 0 331.526 1.544 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000422973952 447785535 /nfs/dbraw/zinc/78/55/35/447785535.db2.gz CZNUMNMQQNYHPV-QYZOEREBSA-N 2 0 335.492 1.213 20 0 EDADRP O=C(c1ccccc1)N1C[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997970 447789469 /nfs/dbraw/zinc/78/94/69/447789469.db2.gz VUJMAFPESUACJE-GBESFXJTSA-N 2 0 342.487 1.317 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CC[NH2+]CC[C@H]3C)C2)nc1 ZINC000423026169 447793729 /nfs/dbraw/zinc/79/37/29/447793729.db2.gz AVCYCEZIPUSJRS-CJNGLKHVSA-N 2 0 332.448 1.425 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000462723937 447800049 /nfs/dbraw/zinc/80/00/49/447800049.db2.gz VOJOMSBQLZNXIJ-IXDOHACOSA-N 2 0 342.528 1.593 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(S(=O)(=O)CCO)cc1 ZINC000423082792 447801413 /nfs/dbraw/zinc/80/14/13/447801413.db2.gz XOQXNSCKTVZKCB-ZBFHGGJFSA-N 2 0 326.462 1.060 20 0 EDADRP C[C@H]([NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000423084458 447801734 /nfs/dbraw/zinc/80/17/34/447801734.db2.gz IABZBANMVXYUQI-HOCLYGCPSA-N 2 0 349.450 1.041 20 0 EDADRP [NH3+]C1CCC([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)CC1 ZINC000423099204 447804512 /nfs/dbraw/zinc/80/45/12/447804512.db2.gz LSCXQFPUUILBCA-UHFFFAOYSA-N 2 0 345.896 1.868 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000471636695 447806639 /nfs/dbraw/zinc/80/66/39/447806639.db2.gz NVLCNYWDEIAXGT-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)C[C@H](O)C(C)(C)C)CC[NH2+]CC1 ZINC000423109950 447807028 /nfs/dbraw/zinc/80/70/28/447807028.db2.gz UIAWLWHTYNGOJY-KKUMJFAQSA-N 2 0 344.496 1.055 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487674882 447835856 /nfs/dbraw/zinc/83/58/56/447835856.db2.gz KWXURIJPRHSSIT-UAGQMJEPSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000496661377 447843104 /nfs/dbraw/zinc/84/31/04/447843104.db2.gz LVHPMAPGUZYHMM-GUYCJALGSA-N 2 0 327.469 1.502 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncc(C)cc1OC ZINC000489975139 447882973 /nfs/dbraw/zinc/88/29/73/447882973.db2.gz BMQMDDYYLPNMPO-MRXNPFEDSA-N 2 0 348.491 1.887 20 0 EDADRP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)C1CC1 ZINC000523613718 447894815 /nfs/dbraw/zinc/89/48/15/447894815.db2.gz XMFXPIZSUHSMLU-KRWDZBQOSA-N 2 0 330.476 1.894 20 0 EDADRP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575810679 447904150 /nfs/dbraw/zinc/90/41/50/447904150.db2.gz SSRRGHOLGALHOW-QGZVFWFLSA-N 2 0 337.489 1.236 20 0 EDADRP CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000575810677 447904972 /nfs/dbraw/zinc/90/49/72/447904972.db2.gz SSRRGHOLGALHOW-KRWDZBQOSA-N 2 0 337.489 1.236 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000575853153 447911825 /nfs/dbraw/zinc/91/18/25/447911825.db2.gz DCWGZCILPABFFY-INIZCTEOSA-N 2 0 336.480 1.035 20 0 EDADRP O=C(Oc1ccccc1)N1CCC[N@H+](CCN2CC[NH2+]CC2)CC1 ZINC000496790900 447914909 /nfs/dbraw/zinc/91/49/09/447914909.db2.gz DCVKNGHMILCHCA-UHFFFAOYSA-N 2 0 332.448 1.098 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCCO1 ZINC000569947708 447926083 /nfs/dbraw/zinc/92/60/83/447926083.db2.gz TUZXLLBBDKKYPH-QZTJIDSGSA-N 2 0 346.475 1.186 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000524371911 447928484 /nfs/dbraw/zinc/92/84/84/447928484.db2.gz WLJIYRLJYIPUKH-MJGOQNOKSA-N 2 0 331.460 1.176 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C[NH+](C)C(C)C)CC2)C1 ZINC000524588922 447935513 /nfs/dbraw/zinc/93/55/13/447935513.db2.gz YPLGXCBQLRJJEJ-QGZVFWFLSA-N 2 0 340.512 1.469 20 0 EDADRP O=C(CN1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1nc2c(s1)CCC2 ZINC000570283299 447978468 /nfs/dbraw/zinc/97/84/68/447978468.db2.gz QESCORIVFITONV-OLZOCXBDSA-N 2 0 334.489 1.892 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000553285323 447984621 /nfs/dbraw/zinc/98/46/21/447984621.db2.gz WKCBRWHSYUJZFX-IAGOWNOFSA-N 2 0 343.475 1.131 20 0 EDADRP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000525311958 447994506 /nfs/dbraw/zinc/99/45/06/447994506.db2.gz MSOQNBZXYDVJAU-WSTZPKSXSA-N 2 0 343.471 1.366 20 0 EDADRP CN(C)[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccco1 ZINC000525452036 447999678 /nfs/dbraw/zinc/99/96/78/447999678.db2.gz JWXNOBQNTBFXFQ-OAHLLOKOSA-N 2 0 339.484 1.017 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000530821351 447966278 /nfs/dbraw/zinc/96/62/78/447966278.db2.gz ZOWCLLVHWZNCGV-KRWDZBQOSA-N 2 0 344.503 1.506 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CN(C(=O)OCc2ccccc2)C1 ZINC000497306038 448059480 /nfs/dbraw/zinc/05/94/80/448059480.db2.gz PXQBWQJCMLXCDW-IAOVAPTHSA-N 2 0 333.432 1.349 20 0 EDADRP Cc1nc(CCCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000531418840 448081389 /nfs/dbraw/zinc/08/13/89/448081389.db2.gz SSQYVSLEDVDWSI-UHFFFAOYSA-N 2 0 326.510 1.726 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000576568055 448084991 /nfs/dbraw/zinc/08/49/91/448084991.db2.gz NNSQAMAEMBLORD-GOSISDBHSA-N 2 0 344.503 1.992 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000571183117 448119889 /nfs/dbraw/zinc/11/98/89/448119889.db2.gz NBYOTOVPEIMFLQ-FUHWJXTLSA-N 2 0 346.475 1.883 20 0 EDADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000571298715 448131753 /nfs/dbraw/zinc/13/17/53/448131753.db2.gz SNAZCCZSPLDXGC-OAHLLOKOSA-N 2 0 349.479 1.036 20 0 EDADRP CC[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1cccc(C)c1 ZINC000514669301 448182444 /nfs/dbraw/zinc/18/24/44/448182444.db2.gz ZXBQTOPFDMHAKD-ROUUACIJSA-N 2 0 335.492 1.350 20 0 EDADRP O=C(CN1CC[C@]2(C1)CCC[NH2+]C2)NCCc1c(F)cccc1F ZINC000572039123 448269740 /nfs/dbraw/zinc/26/97/40/448269740.db2.gz MPOWNJXEOMRTBC-GOSISDBHSA-N 2 0 337.414 1.699 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000515523239 448325905 /nfs/dbraw/zinc/32/59/05/448325905.db2.gz VAJLTWUZMFSNIV-IKGGRYGDSA-N 2 0 338.496 1.271 20 0 EDADRP COC(=O)COC[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000515458647 448314723 /nfs/dbraw/zinc/31/47/23/448314723.db2.gz PXCOLXRFHVUXBI-WMZOPIPTSA-N 2 0 349.475 1.143 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000577372866 448279651 /nfs/dbraw/zinc/27/96/51/448279651.db2.gz WYIRKAAEHVYUCF-FAFZWHIHSA-N 2 0 342.487 1.206 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515381015 448303737 /nfs/dbraw/zinc/30/37/37/448303737.db2.gz QIVWMRPVXISJJY-HBUWYVDXSA-N 2 0 343.475 1.576 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+]1C1CCCC1 ZINC000527766985 448356999 /nfs/dbraw/zinc/35/69/99/448356999.db2.gz IPSUXJZHJHHRPB-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nn(C)c3ccccc23)CC[NH2+]CC1 ZINC000591572789 448393130 /nfs/dbraw/zinc/39/31/30/448393130.db2.gz QQFVKVXFPPDWTA-AWEZNQCLSA-N 2 0 344.459 1.984 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000583021612 448404952 /nfs/dbraw/zinc/40/49/52/448404952.db2.gz HYJBAGUEYKIGFU-ROUUACIJSA-N 2 0 333.476 1.676 20 0 EDADRP CCCOc1c(CN2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)cccc1OCC ZINC000578083898 448459186 /nfs/dbraw/zinc/45/91/86/448459186.db2.gz ISLRWFJTVVPKTR-HZPDHXFCSA-N 2 0 347.459 1.618 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000572769390 448461499 /nfs/dbraw/zinc/46/14/99/448461499.db2.gz YWMNULXSRMPFNE-RYRKJORJSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000572834741 448474788 /nfs/dbraw/zinc/47/47/88/448474788.db2.gz YHTVATCOZWSSMW-BHYGNILZSA-N 2 0 348.495 1.121 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000566471121 448485836 /nfs/dbraw/zinc/48/58/36/448485836.db2.gz NPOVZXYMNFBFLR-CQSZACIVSA-N 2 0 349.479 1.111 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000572941200 448499990 /nfs/dbraw/zinc/49/99/90/448499990.db2.gz UVWWHQWPEJZQKM-XJKSGUPXSA-N 2 0 330.432 1.342 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000578320528 448515046 /nfs/dbraw/zinc/51/50/46/448515046.db2.gz ZZISMECALWFUHZ-WBVHZDCISA-N 2 0 331.464 1.366 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCCC[NH2+]C3CC3)c2)CC1 ZINC000566621723 448523020 /nfs/dbraw/zinc/52/30/20/448523020.db2.gz KCKBDLUPUVGPKM-UHFFFAOYSA-N 2 0 330.476 1.306 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000572941197 448500258 /nfs/dbraw/zinc/50/02/58/448500258.db2.gz UVWWHQWPEJZQKM-BBRMVZONSA-N 2 0 330.432 1.342 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000566786552 448558297 /nfs/dbraw/zinc/55/82/97/448558297.db2.gz QHPJXMAOPWJUAJ-ZWKOTPCHSA-N 2 0 346.475 1.410 20 0 EDADRP O=C(CN1CCN(c2ncc[nH]2)CC1)Nc1cccc2nsnc21 ZINC000573184552 448560284 /nfs/dbraw/zinc/56/02/84/448560284.db2.gz VGFHNVVYBGPFBE-UHFFFAOYSA-N 2 0 343.416 1.175 20 0 EDADRP Cc1ncc2n1C[C@@H](C(=O)N1CCN(Cc3ccco3)CC1)CC2 ZINC000578537524 448575616 /nfs/dbraw/zinc/57/56/16/448575616.db2.gz CKSRQKQRMHYHKG-HNNXBMFYSA-N 2 0 328.416 1.691 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(OC(F)(F)F)c1 ZINC000517122519 448539701 /nfs/dbraw/zinc/53/97/01/448539701.db2.gz VEQFLPDEFAQBOH-NSHDSACASA-N 2 0 331.338 1.668 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)sc2n1 ZINC000517146964 448543859 /nfs/dbraw/zinc/54/38/59/448543859.db2.gz RDJSNRGXZWQUHY-OLZOCXBDSA-N 2 0 333.461 1.281 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNc2cc(N3CC[C@H]([C@H](C)O)C3)ncn2)C1 ZINC000584516511 448552579 /nfs/dbraw/zinc/55/25/79/448552579.db2.gz VIZSQOXWFIKVLZ-JYJNAYRXSA-N 2 0 333.480 1.826 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000517718408 448608075 /nfs/dbraw/zinc/60/80/75/448608075.db2.gz QPPRWPGVACNXHC-JKSUJKDBSA-N 2 0 326.485 1.175 20 0 EDADRP O=C(CNCc1ccc2c(n1)CCC2)NCC[NH+]1CCCCCC1 ZINC000566900866 448580582 /nfs/dbraw/zinc/58/05/82/448580582.db2.gz VLIDDHYFTRMIER-UHFFFAOYSA-N 2 0 330.476 1.652 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCCCC[NH+](C)C)CC2)CC1 ZINC000584787025 448632724 /nfs/dbraw/zinc/63/27/24/448632724.db2.gz ASTOUJSXGQBEDM-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP O=S(=O)(NCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000518514784 448688165 /nfs/dbraw/zinc/68/81/65/448688165.db2.gz VIKQLTZHTXEUOL-BRWVUGGUSA-N 2 0 337.489 1.475 20 0 EDADRP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)NC(=O)Nc1ccccc1 ZINC000518771508 448708775 /nfs/dbraw/zinc/70/87/75/448708775.db2.gz VAMXZUYHEFGKOQ-SFHVURJKSA-N 2 0 330.432 1.800 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000518963770 448725013 /nfs/dbraw/zinc/72/50/13/448725013.db2.gz OXTGOUGDTQBWRC-JYYAWHABSA-N 2 0 333.480 1.117 20 0 EDADRP COC(=O)c1cccc(OCCN2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000592181455 448725620 /nfs/dbraw/zinc/72/56/20/448725620.db2.gz DKAXKWUKURQGIN-UHFFFAOYSA-N 2 0 348.443 1.649 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2ccccc2)[C@@H](C)C1 ZINC000519407783 448767983 /nfs/dbraw/zinc/76/79/83/448767983.db2.gz ZOOFNJGWOFCQBC-UHOSZYNNSA-N 2 0 347.503 1.810 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000573942443 448754082 /nfs/dbraw/zinc/75/40/82/448754082.db2.gz XHBUGPXSRADRMB-JEBQAFNWSA-N 2 0 328.460 1.655 20 0 EDADRP COc1ccc2cc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)ccc2c1 ZINC000519658453 448812987 /nfs/dbraw/zinc/81/29/87/448812987.db2.gz XYIGRIZZUSHDJG-SJLPKXTDSA-N 2 0 325.412 1.592 20 0 EDADRP COc1ccc2cc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)ccc2c1 ZINC000519658438 448813060 /nfs/dbraw/zinc/81/30/60/448813060.db2.gz XYIGRIZZUSHDJG-AEFFLSMTSA-N 2 0 325.412 1.592 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000519538439 448780272 /nfs/dbraw/zinc/78/02/72/448780272.db2.gz FDTCDGMBFVLXTA-BPQIPLTHSA-N 2 0 330.476 1.737 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@@H]1c1ccccc1 ZINC000529322942 448822902 /nfs/dbraw/zinc/82/29/02/448822902.db2.gz RXTKTJYOBXCUBY-HOTGVXAUSA-N 2 0 332.448 1.239 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529340383 448831949 /nfs/dbraw/zinc/83/19/49/448831949.db2.gz MTLWTQYGTRTAQU-DLBZAZTESA-N 2 0 338.496 1.319 20 0 EDADRP CCn1ccnc1[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000579687420 448852903 /nfs/dbraw/zinc/85/29/03/448852903.db2.gz IZIHJGPIXZUPRA-JKSUJKDBSA-N 2 0 333.480 1.627 20 0 EDADRP CC(C)(CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000574426003 448872803 /nfs/dbraw/zinc/87/28/03/448872803.db2.gz JKYWBIZEHNXJJH-FVQHAEBGSA-N 2 0 328.460 1.340 20 0 EDADRP C[C@@]1(F)CNCCN(C(=O)c2ccccc2CN2CCOCC2)C1 ZINC000574451976 448877329 /nfs/dbraw/zinc/87/73/29/448877329.db2.gz ZVLKQKIGBBXMBO-GOSISDBHSA-N 2 0 335.423 1.292 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000568509395 448882880 /nfs/dbraw/zinc/88/28/80/448882880.db2.gz KDWTVYUNHWWGJI-KRWDZBQOSA-N 2 0 331.460 1.576 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1cccc2[nH]ccc21 ZINC000520568910 448910841 /nfs/dbraw/zinc/91/08/41/448910841.db2.gz LKKFLADRAVSONB-HZPDHXFCSA-N 2 0 346.475 1.133 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCC(c3c[nH]nc3C)CC2)CC1 ZINC000574658211 448927043 /nfs/dbraw/zinc/92/70/43/448927043.db2.gz ZLJPVBNCQIXGBK-UHFFFAOYSA-N 2 0 333.480 1.498 20 0 EDADRP CC(C)COc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000574500759 448886584 /nfs/dbraw/zinc/88/65/84/448886584.db2.gz LUIJNOGYZNLSFW-GOSISDBHSA-N 2 0 335.492 1.419 20 0 EDADRP CCc1ccc(C(C)(C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000520397941 448891725 /nfs/dbraw/zinc/89/17/25/448891725.db2.gz OCIXHBGOZGSJOP-IBGZPJMESA-N 2 0 333.520 1.725 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)cc1 ZINC000569102137 448961210 /nfs/dbraw/zinc/96/12/10/448961210.db2.gz CDZVVZLGHAKFMO-NALNUFGESA-N 2 0 331.460 1.855 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000548023093 448969195 /nfs/dbraw/zinc/96/91/95/448969195.db2.gz QOVWNYJZXOLQDT-GJZGRUSLSA-N 2 0 336.505 1.684 20 0 EDADRP Cc1ccc(C(=O)NC2CC[NH+](CCN3CC[NH2+]CC3)CC2)s1 ZINC000569223238 448982672 /nfs/dbraw/zinc/98/26/72/448982672.db2.gz WTPZTYWPWANJPL-UHFFFAOYSA-N 2 0 336.505 1.156 20 0 EDADRP C[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000529913877 449003697 /nfs/dbraw/zinc/00/36/97/449003697.db2.gz OUSHKHDBCBTQKH-IXDOHACOSA-N 2 0 337.508 1.961 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cc(F)c(F)c(F)c2)CC1 ZINC000521863915 449020183 /nfs/dbraw/zinc/02/01/83/449020183.db2.gz IXPQJTDOLAQPMY-DVOMOZLQSA-N 2 0 343.393 1.158 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000521867265 449020221 /nfs/dbraw/zinc/02/02/21/449020221.db2.gz HBHJGNLWXXEFNH-WMZOPIPTSA-N 2 0 332.492 1.479 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c21 ZINC000592960138 449082868 /nfs/dbraw/zinc/08/28/68/449082868.db2.gz YYWPTBFERDOSDX-HUUCEWRRSA-N 2 0 331.464 1.420 20 0 EDADRP CCC(CC)[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCO1 ZINC000575117903 449039663 /nfs/dbraw/zinc/03/96/63/449039663.db2.gz OUXDXTVPBGJBNR-SQNIBIBYSA-N 2 0 327.513 1.168 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000582260955 449050684 /nfs/dbraw/zinc/05/06/84/449050684.db2.gz SZRPYWVWOKCVOU-ZWKOTPCHSA-N 2 0 330.476 1.846 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H]([NH+]4CCCC4)CC3)c21 ZINC000592964746 449087662 /nfs/dbraw/zinc/08/76/62/449087662.db2.gz MNUPQSFMCHUJKS-CVEARBPZSA-N 2 0 345.491 1.810 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[C@H](C[NH+]4CCCC4)C3)c21 ZINC000592964867 449087789 /nfs/dbraw/zinc/08/77/89/449087789.db2.gz OKJVZXJRZZBNBN-CABCVRRESA-N 2 0 331.464 1.277 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000530238185 449090787 /nfs/dbraw/zinc/09/07/87/449090787.db2.gz LENLDPFFMFCFCV-SFHVURJKSA-N 2 0 343.471 1.666 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000604182370 449187425 /nfs/dbraw/zinc/18/74/25/449187425.db2.gz DDJFPXCLMJAWCO-HZPDHXFCSA-N 2 0 339.528 1.184 20 0 EDADRP COC(=O)CC[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CCCO1 ZINC000595890990 449235729 /nfs/dbraw/zinc/23/57/29/449235729.db2.gz GYLMKWOEJXYKJE-QGZVFWFLSA-N 2 0 332.444 1.876 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000595927408 449258411 /nfs/dbraw/zinc/25/84/11/449258411.db2.gz XGYZTBBSCRBBEX-KRWDZBQOSA-N 2 0 342.487 1.530 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000596101272 449361517 /nfs/dbraw/zinc/36/15/17/449361517.db2.gz FECLUTGEZJKFFM-UHFFFAOYSA-N 2 0 347.459 1.553 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000614065515 449440376 /nfs/dbraw/zinc/44/03/76/449440376.db2.gz NZSGLKDBMWLIRG-PKOBYXMFSA-N 2 0 333.476 1.595 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000612026654 449526096 /nfs/dbraw/zinc/52/60/96/449526096.db2.gz LIGFACSASRTMTC-HNNXBMFYSA-N 2 0 340.512 1.070 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCN2CC(F)F)CC[NH2+]CC1 ZINC000600707353 449508390 /nfs/dbraw/zinc/50/83/90/449508390.db2.gz HBYARKDONSQQDX-KGLIPLIRSA-N 2 0 347.450 1.627 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000606704103 449513049 /nfs/dbraw/zinc/51/30/49/449513049.db2.gz OYQYAGHWFCJASL-INIZCTEOSA-N 2 0 338.496 1.223 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000607686983 449635501 /nfs/dbraw/zinc/63/55/01/449635501.db2.gz NUBXZAIBDSYHGK-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP Cn1nc(C(=O)OC(C)(C)C)cc1CNC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000602511823 449639868 /nfs/dbraw/zinc/63/98/68/449639868.db2.gz RPXKOOQLTBSZHB-CYBMUJFWSA-N 2 0 334.464 1.949 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CC[N@H+](C)C1 ZINC000617556786 449687536 /nfs/dbraw/zinc/68/75/36/449687536.db2.gz XNPBPNVXNSZALM-MSOLQXFVSA-N 2 0 330.476 1.846 20 0 EDADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCN4C(=O)[C@@H]([NH3+])C[C@H]4C3)cc2)n1 ZINC000594874975 449789989 /nfs/dbraw/zinc/78/99/89/449789989.db2.gz CZLHJVTXAPDABQ-ROUUACIJSA-N 2 0 339.443 1.233 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000617701455 449746035 /nfs/dbraw/zinc/74/60/35/449746035.db2.gz XRCAEIXXFPJJJM-SFHVURJKSA-N 2 0 331.460 1.211 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601248860 449773206 /nfs/dbraw/zinc/77/32/06/449773206.db2.gz WBTREKWNHWAMBT-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOC3CCOCC3)C2)CC1 ZINC000599305350 449876802 /nfs/dbraw/zinc/87/68/02/449876802.db2.gz XAKAPEGZEVHHJX-KRWDZBQOSA-N 2 0 325.497 1.282 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000608692699 449910676 /nfs/dbraw/zinc/91/06/76/449910676.db2.gz MZURXUXAVJEQNU-WBVHZDCISA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)Cn1ccnc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000608700034 449913596 /nfs/dbraw/zinc/91/35/96/449913596.db2.gz KTHHCHHLUHEHKG-UHFFFAOYSA-N 2 0 338.500 1.174 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000612996722 449977773 /nfs/dbraw/zinc/97/77/73/449977773.db2.gz RVHVYUNBYSPRRM-ULQDDVLXSA-N 2 0 346.450 1.713 20 0 EDADRP COC[C@@H](C)NC(=O)NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603111533 450073792 /nfs/dbraw/zinc/07/37/92/450073792.db2.gz RKCLAXPXOKVDJQ-OAHLLOKOSA-N 2 0 342.484 1.045 20 0 EDADRP COC(=O)CCN1CC[C@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000603122364 450082540 /nfs/dbraw/zinc/08/25/40/450082540.db2.gz VUHTUXOEPSDGRM-INIZCTEOSA-N 2 0 339.480 1.348 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC000599720449 450177365 /nfs/dbraw/zinc/17/73/65/450177365.db2.gz GYRQXBDFEAJBEG-BSDSXHPESA-N 2 0 347.528 1.836 20 0 EDADRP Cc1cc(N(C)C)nc(NCc2ccc(OCC[NH+](C)C)cc2)[nH+]1 ZINC000613543994 450220896 /nfs/dbraw/zinc/22/08/96/450220896.db2.gz QMFXNGNVLICQNE-UHFFFAOYSA-N 2 0 329.448 2.404 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000618551818 450240005 /nfs/dbraw/zinc/24/00/05/450240005.db2.gz GXUVYJIOLHSIRD-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000610881844 450366501 /nfs/dbraw/zinc/36/65/01/450366501.db2.gz QAHGKKKVKHYXJK-UHFFFAOYSA-N 2 0 339.411 1.178 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@H]1C ZINC000619425395 450471280 /nfs/dbraw/zinc/47/12/80/450471280.db2.gz FKYIJJGCEWOMSL-HRCADAONSA-N 2 0 325.497 1.580 20 0 EDADRP CN(C)C(=O)CCN1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623411248 450517724 /nfs/dbraw/zinc/51/77/24/450517724.db2.gz YXZAGKGEQLYRAN-UHFFFAOYSA-N 2 0 329.448 1.595 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@H]2COCCN2C)c1 ZINC000623435804 450521766 /nfs/dbraw/zinc/52/17/66/450521766.db2.gz SYFSBDBCKLGENU-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCC3([NH3+])CCOCC3)ccc21 ZINC000625892693 450529994 /nfs/dbraw/zinc/52/99/94/450529994.db2.gz VJZSUVXGFJGFOO-MRXNPFEDSA-N 2 0 332.448 1.865 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000625976037 450547036 /nfs/dbraw/zinc/54/70/36/450547036.db2.gz LTYFWNSQXRIYPR-VLKZTRAZSA-N 2 0 333.476 1.807 20 0 EDADRP CC[N@H+](CCCN1C(=O)CNC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062234 450565817 /nfs/dbraw/zinc/56/58/17/450565817.db2.gz LTGXOHQHUDZQIM-UHFFFAOYSA-N 2 0 332.448 1.512 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNc3nc(N)[nH+]c(N)n3)cc2)C1 ZINC000623864461 450619481 /nfs/dbraw/zinc/61/94/81/450619481.db2.gz PHXUILKPWUZTGL-BETUJISGSA-N 2 0 341.463 1.209 20 0 EDADRP C[C@H](O)[C@@H]1CCN(c2cc(N[C@@H](C)C3CC[NH+](C)CC3)ncn2)C1 ZINC000623969829 450655880 /nfs/dbraw/zinc/65/58/80/450655880.db2.gz VWSFYIHDUJGOQH-OFQRWUPVSA-N 2 0 333.480 1.826 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081832 450668832 /nfs/dbraw/zinc/66/88/32/450668832.db2.gz MJBGCHLVXPTNDI-ZWKOTPCHSA-N 2 0 330.476 1.963 20 0 EDADRP Nc1nc(N(CC[NH+]2CCCC2)Cc2ccc(Cl)cc2)nc(N)[nH+]1 ZINC000624040068 450681128 /nfs/dbraw/zinc/68/11/28/450681128.db2.gz GABWEUKKLLFMAL-UHFFFAOYSA-N 2 0 347.854 1.453 20 0 EDADRP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000629551761 450732532 /nfs/dbraw/zinc/73/25/32/450732532.db2.gz XFXKYESNCBOPRH-MELADBBJSA-N 2 0 331.416 1.374 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C[NH+]1CCCC1 ZINC000629558649 450734810 /nfs/dbraw/zinc/73/48/10/450734810.db2.gz LIKBIMIPSMMFSG-GOEBONIOSA-N 2 0 339.430 1.837 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)CCOc1ccc(Br)cc1 ZINC000629568950 450741504 /nfs/dbraw/zinc/74/15/04/450741504.db2.gz XTQQFESZUKQLCS-UHFFFAOYSA-N 2 0 331.254 1.996 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590448 450752983 /nfs/dbraw/zinc/75/29/83/450752983.db2.gz ALAURUOPEACPHE-WBVHZDCISA-N 2 0 341.496 1.008 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000629608188 450761433 /nfs/dbraw/zinc/76/14/33/450761433.db2.gz VJIISMFXXLZJER-AEFFLSMTSA-N 2 0 337.895 1.915 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642211 450807154 /nfs/dbraw/zinc/80/71/54/450807154.db2.gz HMJBYPROVIHZMI-MHORFTMASA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-n2ccnc2)ccc1O ZINC000635328013 450853203 /nfs/dbraw/zinc/85/32/03/450853203.db2.gz GDGVNVAKKGTJMT-JKSUJKDBSA-N 2 0 326.400 1.935 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000631908710 450867297 /nfs/dbraw/zinc/86/72/97/450867297.db2.gz XTEUTKIQJGNDMH-HZPDHXFCSA-N 2 0 329.510 1.266 20 0 EDADRP CCC[NH+](CCC)CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631918089 450877768 /nfs/dbraw/zinc/87/77/68/450877768.db2.gz UDKYUQIGMXHXLQ-UHFFFAOYSA-N 2 0 334.530 1.017 20 0 EDADRP Cn1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(-c2ccco2)n1 ZINC000626817680 450928336 /nfs/dbraw/zinc/92/83/36/450928336.db2.gz JLYCMLDBJSAOSW-UHFFFAOYSA-N 2 0 348.451 1.637 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000626847019 450953986 /nfs/dbraw/zinc/95/39/86/450953986.db2.gz KWRJGZACUYGEMK-KRWDZBQOSA-N 2 0 346.475 1.186 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1(c2cc(C)no2)CC1 ZINC000635464458 450964946 /nfs/dbraw/zinc/96/49/46/450964946.db2.gz IPWZNVPFMRBQJE-INIZCTEOSA-N 2 0 348.491 1.889 20 0 EDADRP COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000622004655 450983340 /nfs/dbraw/zinc/98/33/40/450983340.db2.gz RZKMETYTOHCVHB-HNNXBMFYSA-N 2 0 334.464 1.336 20 0 EDADRP C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)[C@@H](C)N1CCOCC1 ZINC000635506271 451000626 /nfs/dbraw/zinc/00/06/26/451000626.db2.gz QRNHOICCZYYRSK-IAGOWNOFSA-N 2 0 333.476 1.386 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCOCC1 ZINC000626921484 451004818 /nfs/dbraw/zinc/00/48/18/451004818.db2.gz LYGUVVZFGSZHRO-CQSZACIVSA-N 2 0 336.436 1.224 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626932255 451014438 /nfs/dbraw/zinc/01/44/38/451014438.db2.gz UDQPPHBABPNHEI-UHFFFAOYSA-N 2 0 348.491 1.834 20 0 EDADRP CCN(CC[NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000626931582 451014848 /nfs/dbraw/zinc/01/48/48/451014848.db2.gz AEUCCSPMNWHLQR-UHFFFAOYSA-N 2 0 347.507 1.314 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626936432 451018367 /nfs/dbraw/zinc/01/83/67/451018367.db2.gz VKGZRLQFFIZQNM-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626937693 451019623 /nfs/dbraw/zinc/01/96/23/451019623.db2.gz WZFMCVQSOJRUKP-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCOCCC[NH3+])c1ccc(F)cc1 ZINC000626944153 451023324 /nfs/dbraw/zinc/02/33/24/451023324.db2.gz UQOVTRUUVPPXDE-OAHLLOKOSA-N 2 0 326.416 1.093 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626954925 451032524 /nfs/dbraw/zinc/03/25/24/451032524.db2.gz NOTHUELBFPXAQX-GOSISDBHSA-N 2 0 348.491 1.515 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000626991912 451056825 /nfs/dbraw/zinc/05/68/25/451056825.db2.gz MODCYKUYUHAVQG-UHFFFAOYSA-N 2 0 338.496 1.591 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[NH+]3C3CCCC3)CC2)C1 ZINC000635570933 451069806 /nfs/dbraw/zinc/06/98/06/451069806.db2.gz PGMHZHKAQADBSF-ROUUACIJSA-N 2 0 334.508 1.242 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CC[NH+]3C3CCCC3)CC2)C1 ZINC000635570931 451070186 /nfs/dbraw/zinc/07/01/86/451070186.db2.gz PGMHZHKAQADBSF-MSOLQXFVSA-N 2 0 334.508 1.242 20 0 EDADRP C[C@H](NC(=O)NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009498 451073381 /nfs/dbraw/zinc/07/33/81/451073381.db2.gz GRIVMDBMKDQRNI-WMZOPIPTSA-N 2 0 348.491 1.562 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627011973 451077538 /nfs/dbraw/zinc/07/75/38/451077538.db2.gz NVBOMNGUORKQMP-OLMNPRSZSA-N 2 0 346.475 1.193 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551748 451049061 /nfs/dbraw/zinc/04/90/61/451049061.db2.gz OFFOHMYRTPOSIO-OALUTQOASA-N 2 0 348.535 1.630 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635624415 451114717 /nfs/dbraw/zinc/11/47/17/451114717.db2.gz JRSYSVKFJJYTBQ-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000627100308 451122873 /nfs/dbraw/zinc/12/28/73/451122873.db2.gz JPIVQOVISWCMPV-UPJWGTAASA-N 2 0 336.402 1.687 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000627114126 451130239 /nfs/dbraw/zinc/13/02/39/451130239.db2.gz YQEPYZAHIMVGLI-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000627116401 451132349 /nfs/dbraw/zinc/13/23/49/451132349.db2.gz ZQZLBPWFRDIOMF-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[C@H]1C(F)(F)F ZINC000627126320 451139899 /nfs/dbraw/zinc/13/98/99/451139899.db2.gz DLDZROPVZAXOSQ-IJLUTSLNSA-N 2 0 334.386 1.440 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627148910 451147323 /nfs/dbraw/zinc/14/73/23/451147323.db2.gz OQQPGEFLIWLHTF-UHFFFAOYSA-N 2 0 338.452 1.251 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000632291352 451177131 /nfs/dbraw/zinc/17/71/31/451177131.db2.gz YWRSCYPIPICJBW-QGZVFWFLSA-N 2 0 339.505 1.380 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627198606 451183005 /nfs/dbraw/zinc/18/30/05/451183005.db2.gz MSKMNVSMQTVYRJ-SUMDDJOVSA-N 2 0 346.475 1.063 20 0 EDADRP CCN(C[C@H](CC(C)C)NC(=O)[C@@H](C)[NH+](C)C)C(=O)[C@@H](C)[NH+](C)C ZINC000635730063 451203904 /nfs/dbraw/zinc/20/39/04/451203904.db2.gz GETXHCGIBULHRK-OAGGEKHMSA-N 2 0 342.528 1.266 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627240679 451204460 /nfs/dbraw/zinc/20/44/60/451204460.db2.gz VMFRCDHAIITGFE-RYQLBKOJSA-N 2 0 330.476 1.900 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000635784113 451237577 /nfs/dbraw/zinc/23/75/77/451237577.db2.gz AQPLCACTSKDBLG-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP Nc1nc(N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c2c([nH+]1)CCCC2 ZINC000630544863 451239842 /nfs/dbraw/zinc/23/98/42/451239842.db2.gz ICJTXJOUSQMUTA-AWEZNQCLSA-N 2 0 331.464 1.533 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638098646 451263345 /nfs/dbraw/zinc/26/33/45/451263345.db2.gz CFNVAPYBVOFYNR-HNAYVOBHSA-N 2 0 331.460 1.707 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635871601 451318600 /nfs/dbraw/zinc/31/86/00/451318600.db2.gz GHUVWLCCWQURKX-OAHLLOKOSA-N 2 0 325.497 1.581 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCO1 ZINC000638170124 451335253 /nfs/dbraw/zinc/33/52/53/451335253.db2.gz DHOZYGDVOVSDKK-CEXWTWQISA-N 2 0 343.471 1.331 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000638250968 451381470 /nfs/dbraw/zinc/38/14/70/451381470.db2.gz LAMLHUVSDAPIKV-DLBZAZTESA-N 2 0 337.508 1.583 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)CC1 ZINC000640530701 451382640 /nfs/dbraw/zinc/38/26/40/451382640.db2.gz BLRZLQNJFBJRCB-GOSISDBHSA-N 2 0 338.540 1.737 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638262916 451386306 /nfs/dbraw/zinc/38/63/06/451386306.db2.gz QTMHOTVHIHGCRS-WZGPROSRSA-N 2 0 345.487 1.767 20 0 EDADRP CO[C@H](C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@H]1CCOC1 ZINC000638273087 451391868 /nfs/dbraw/zinc/39/18/68/451391868.db2.gz FGCGAJNYTABFGK-SLFFLAALSA-N 2 0 347.503 1.616 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000638293975 451409039 /nfs/dbraw/zinc/40/90/39/451409039.db2.gz NDENWPBEDHZHGJ-BSDSXHPESA-N 2 0 345.443 1.205 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000638302640 451417718 /nfs/dbraw/zinc/41/77/18/451417718.db2.gz KAIPGNHPILXVRF-MSOLQXFVSA-N 2 0 329.444 1.441 20 0 EDADRP CO[C@@H](C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638351455 451452347 /nfs/dbraw/zinc/45/23/47/451452347.db2.gz GAVQWWHCYZIOCD-ROUUACIJSA-N 2 0 327.513 1.290 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000634699239 451471658 /nfs/dbraw/zinc/47/16/58/451471658.db2.gz GWRQSVUSECYQBT-KRWDZBQOSA-N 2 0 328.497 1.381 20 0 EDADRP [NH3+]CC1(CCNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638387679 451481321 /nfs/dbraw/zinc/48/13/21/451481321.db2.gz IHCLQWPMHVVNGS-UHFFFAOYSA-N 2 0 344.503 1.615 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000638341784 451444950 /nfs/dbraw/zinc/44/49/50/451444950.db2.gz YFCKTTMOFWFION-MRXNPFEDSA-N 2 0 346.475 1.251 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[NH2+]C[C@H]2c2ccccc2)cn1 ZINC000638342842 451446503 /nfs/dbraw/zinc/44/65/03/451446503.db2.gz OFUWNSGPGHTULY-KRWDZBQOSA-N 2 0 327.432 1.231 20 0 EDADRP C[N@H+](C[C@H](O)CN[C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC1 ZINC000634723835 451504395 /nfs/dbraw/zinc/50/43/95/451504395.db2.gz DUORAMVBXAEZEL-CJNGLKHVSA-N 2 0 330.831 1.947 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000638511605 451552988 /nfs/dbraw/zinc/55/29/88/451552988.db2.gz BNCIRDHOZAVTFV-HCXYKTFWSA-N 2 0 327.472 1.821 20 0 EDADRP CCN(C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)[C@H]1CC[N@H+](C)C1 ZINC000636159590 451554141 /nfs/dbraw/zinc/55/41/41/451554141.db2.gz CZZXECIGECRBSS-WMZOPIPTSA-N 2 0 331.460 1.822 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000638539518 451568069 /nfs/dbraw/zinc/56/80/69/451568069.db2.gz BFFXSONRKPQKEZ-QGZVFWFLSA-N 2 0 331.460 1.665 20 0 EDADRP [NH3+]C1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000638542093 451568852 /nfs/dbraw/zinc/56/88/52/451568852.db2.gz YWULOIGLMYLOOY-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP [NH3+]Cc1cccc2c1N(C(=O)c1cc([C@@H]3CC[NH2+]C3)[nH]n1)CCC2 ZINC000638543517 451569711 /nfs/dbraw/zinc/56/97/11/451569711.db2.gz LJQPAHUVZFBBKI-CQSZACIVSA-N 2 0 325.416 1.538 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638559324 451576547 /nfs/dbraw/zinc/57/65/47/451576547.db2.gz PTAGFQAZNUCHLR-XBFCOCLRSA-N 2 0 329.366 1.981 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000629168308 451577491 /nfs/dbraw/zinc/57/74/91/451577491.db2.gz KXIOHVKOKSDCQB-RTBURBONSA-N 2 0 345.487 1.124 20 0 EDADRP C[C@H](CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)Cc1ccccc1 ZINC000636878272 451577593 /nfs/dbraw/zinc/57/75/93/451577593.db2.gz PSWIJFWYIILXNC-SJLPKXTDSA-N 2 0 348.491 1.263 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000638603346 451601116 /nfs/dbraw/zinc/60/11/16/451601116.db2.gz QZSIDEUROHQUCU-QGZVFWFLSA-N 2 0 349.450 1.581 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000631195528 451636232 /nfs/dbraw/zinc/63/62/32/451636232.db2.gz HSVTVJHIYSGKIQ-DOTOQJQBSA-N 2 0 330.476 1.887 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]([NH3+])C[C@@H]3C)c2)CC1 ZINC000632935162 451658650 /nfs/dbraw/zinc/65/86/50/451658650.db2.gz ZDHJLJWKDTZAFC-LSDHHAIUSA-N 2 0 331.464 1.782 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000638836134 451706672 /nfs/dbraw/zinc/70/66/72/451706672.db2.gz QFMFRDSWLRZVCE-NJAFHUGGSA-N 2 0 347.528 1.966 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cn2)CC1 ZINC000632955448 451667280 /nfs/dbraw/zinc/66/72/80/451667280.db2.gz PHOJZEZFYNEWQX-NSHDSACASA-N 2 0 334.346 1.161 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NC[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000632962120 451671462 /nfs/dbraw/zinc/67/14/62/451671462.db2.gz XQTODMZFOVWBBM-QGZVFWFLSA-N 2 0 342.447 1.971 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000641032227 451735859 /nfs/dbraw/zinc/73/58/59/451735859.db2.gz HCPYBFGJLMIXJN-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)COC3CC[NH2+]CC3)C2)cc1 ZINC000639001146 451750174 /nfs/dbraw/zinc/75/01/74/451750174.db2.gz HEYDSIJMBKVXKL-KRWDZBQOSA-N 2 0 331.460 1.454 20 0 EDADRP CO[C@H](C[NH2+]CC(=O)NCC[NH+]1CCCCCC1)C1CCOCC1 ZINC000639206255 451791687 /nfs/dbraw/zinc/79/16/87/451791687.db2.gz POLJFLUOQRDEEA-QGZVFWFLSA-N 2 0 341.496 1.010 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000644523976 451839463 /nfs/dbraw/zinc/83/94/63/451839463.db2.gz FICYLERMDNXZQL-FGTMMUONSA-N 2 0 347.459 1.601 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)N[C@@H]2CCN(C3CC3)C2)C1 ZINC000641294122 451819402 /nfs/dbraw/zinc/81/94/02/451819402.db2.gz GJJCWISBMVCPSE-CQSZACIVSA-N 2 0 335.473 1.190 20 0 EDADRP OCCCCOc1ccccc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000639331751 451830894 /nfs/dbraw/zinc/83/08/94/451830894.db2.gz YTWINPCGZIEKTI-LJQANCHMSA-N 2 0 348.487 1.869 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000644562862 451864732 /nfs/dbraw/zinc/86/47/32/451864732.db2.gz DXXYCWQVSXQIOQ-RDTXWAMCSA-N 2 0 334.460 1.949 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000646845243 451883473 /nfs/dbraw/zinc/88/34/73/451883473.db2.gz HLXLSAVBMFOTMB-CRAIPNDOSA-N 2 0 346.475 1.017 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000639473491 451885228 /nfs/dbraw/zinc/88/52/28/451885228.db2.gz KAOMBKGWIXUPNH-QGZVFWFLSA-N 2 0 328.497 1.331 20 0 EDADRP COCCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCCC1 ZINC000644625898 451902584 /nfs/dbraw/zinc/90/25/84/451902584.db2.gz VOIJZWQGFVJGQJ-QGZVFWFLSA-N 2 0 327.513 1.171 20 0 EDADRP O[C@@]1(CN2CC[C@@](O)(C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639515806 451918455 /nfs/dbraw/zinc/91/84/55/451918455.db2.gz YHHUWSSAYNJTNX-HOTGVXAUSA-N 2 0 344.377 1.623 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000637532706 451931200 /nfs/dbraw/zinc/93/12/00/451931200.db2.gz JUMHPFZNOKSFFU-ROUUACIJSA-N 2 0 346.475 1.147 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000649269959 451942716 /nfs/dbraw/zinc/94/27/16/451942716.db2.gz AEZWHBOVBGCDQC-AEFFLSMTSA-N 2 0 341.459 1.060 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000649284540 451958169 /nfs/dbraw/zinc/95/81/69/451958169.db2.gz FYRLPENOCYSKNW-DVOMOZLQSA-N 2 0 339.867 1.955 20 0 EDADRP COC[C@@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]1 ZINC000649299428 451977214 /nfs/dbraw/zinc/97/72/14/451977214.db2.gz UQRYHNGWHDKLOR-QGZVFWFLSA-N 2 0 341.521 1.233 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000649311461 451989647 /nfs/dbraw/zinc/98/96/47/451989647.db2.gz RRPJNKBSKZGCTH-DNVCBOLYSA-N 2 0 331.460 1.318 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000649313780 451990749 /nfs/dbraw/zinc/99/07/49/451990749.db2.gz UAAVBSPXICVTIJ-SOUVJXGZSA-N 2 0 330.432 1.060 20 0 EDADRP COCCC1(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000649318721 451998055 /nfs/dbraw/zinc/99/80/55/451998055.db2.gz FOUKKSZZDGAFCI-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP COCCC1(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000649319238 451998303 /nfs/dbraw/zinc/99/83/03/451998303.db2.gz RJEHETGDCZIMLB-UHFFFAOYSA-N 2 0 329.404 1.612 20 0 EDADRP CN(C(=O)[C@@]1(N)CC[N@H+](C)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649322833 452002411 /nfs/dbraw/zinc/00/24/11/452002411.db2.gz PABAAFNRRLTDCR-LJQANCHMSA-N 2 0 330.476 1.142 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)COC1(C)C[NH2+]C1 ZINC000649336731 452017463 /nfs/dbraw/zinc/01/74/63/452017463.db2.gz QUMVDBQOCJNWBS-HZPDHXFCSA-N 2 0 345.487 1.638 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000649357677 452040431 /nfs/dbraw/zinc/04/04/31/452040431.db2.gz ADNJPLOSLYQWEQ-JZXOWHBKSA-N 2 0 341.459 1.187 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000649365051 452043489 /nfs/dbraw/zinc/04/34/89/452043489.db2.gz RATUTTRUIOFBNA-OAHLLOKOSA-N 2 0 340.418 1.146 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000649366103 452045097 /nfs/dbraw/zinc/04/50/97/452045097.db2.gz ZIVJKUVGLQVOFD-AWEZNQCLSA-N 2 0 337.489 1.637 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@@H]3C[C@H]3C3CCC3)C2)CC1 ZINC000644935912 452074263 /nfs/dbraw/zinc/07/42/63/452074263.db2.gz RICBJZQZGZDYHH-BQFCYCMXSA-N 2 0 334.508 1.890 20 0 EDADRP O=C(CN1CCC[N@H+](CCCC2CC[NH2+]CC2)CC1)N1CCCC1 ZINC000649411574 452074384 /nfs/dbraw/zinc/07/43/84/452074384.db2.gz HWCRUVLPAGKDRK-UHFFFAOYSA-N 2 0 336.524 1.396 20 0 EDADRP O=C(CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414917 452078915 /nfs/dbraw/zinc/07/89/15/452078915.db2.gz AAHXEZIZBOSYRF-YJBOKZPZSA-N 2 0 334.508 1.193 20 0 EDADRP c1ccc(N2CC[NH+](CCc3nc([C@@H]4CCC[NH2+]4)no3)CC2)cc1 ZINC000647151694 452090887 /nfs/dbraw/zinc/09/08/87/452090887.db2.gz MWPMVKNWFCCCRB-INIZCTEOSA-N 2 0 327.432 1.859 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cccc3c2CC[NH2+]C3)c1 ZINC000637839024 452109868 /nfs/dbraw/zinc/10/98/68/452109868.db2.gz FPAAGDGEXBJMSV-KRWDZBQOSA-N 2 0 325.412 1.849 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856225 452116550 /nfs/dbraw/zinc/11/65/50/452116550.db2.gz JLRJRMHWAMMHQC-IBGZPJMESA-N 2 0 344.503 1.436 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637860663 452118768 /nfs/dbraw/zinc/11/87/68/452118768.db2.gz CAUWJVAXBINFOG-GOSISDBHSA-N 2 0 332.492 1.294 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1[NH2+]CC1(C)C)[NH+]1CCCC1 ZINC000645180859 452197459 /nfs/dbraw/zinc/19/74/59/452197459.db2.gz SRPRVWGMMXNOIV-WBVHZDCISA-N 2 0 331.460 1.946 20 0 EDADRP CO[C@@]1(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOC1 ZINC000637984699 452228276 /nfs/dbraw/zinc/22/82/76/452228276.db2.gz KQBXJILKBIXJRC-FGTMMUONSA-N 2 0 325.497 1.282 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[C@@H]3[NH3+])c2)C1 ZINC000643462703 452234513 /nfs/dbraw/zinc/23/45/13/452234513.db2.gz HOQXNVVIZPJIIB-FGTMMUONSA-N 2 0 330.476 1.353 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1c[nH]nc1-c1c(F)cccc1F ZINC000647493032 452237007 /nfs/dbraw/zinc/23/70/07/452237007.db2.gz QECMBKGPSPTNPV-UHFFFAOYSA-N 2 0 335.402 1.692 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000655449978 452246057 /nfs/dbraw/zinc/24/60/57/452246057.db2.gz YAELYFLJFXISFE-QUCCMNQESA-N 2 0 342.487 1.762 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cn2)CC1 ZINC000655467505 452259379 /nfs/dbraw/zinc/25/93/79/452259379.db2.gz XGOOJPBCXNYTKO-YJBOKZPZSA-N 2 0 329.448 1.162 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NCCN(C)CCC[NH+](C)C)CC1 ZINC000663553492 452263392 /nfs/dbraw/zinc/26/33/92/452263392.db2.gz QSSQCWFXKWATAR-UHFFFAOYSA-N 2 0 341.544 1.290 20 0 EDADRP CC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659428082 452272063 /nfs/dbraw/zinc/27/20/63/452272063.db2.gz WWIANGCRDMCAAF-QZTJIDSGSA-N 2 0 330.476 1.916 20 0 EDADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1)N1CC[NH2+]CC1 ZINC000641796773 452273083 /nfs/dbraw/zinc/27/30/83/452273083.db2.gz KEYDMWYAKYODHC-IRXDYDNUSA-N 2 0 335.492 1.622 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000641798973 452275986 /nfs/dbraw/zinc/27/59/86/452275986.db2.gz SEJZYYPIQKMXKH-CABCVRRESA-N 2 0 334.464 1.626 20 0 EDADRP CCc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)ncn1 ZINC000647550800 452276586 /nfs/dbraw/zinc/27/65/86/452276586.db2.gz HIBUPVBUSKMGCW-RVKKMQEKSA-N 2 0 329.492 1.986 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2([NH3+])CCCC2)c1 ZINC000659432867 452278530 /nfs/dbraw/zinc/27/85/30/452278530.db2.gz RHNHBOWWCKFAEL-UHFFFAOYSA-N 2 0 334.464 1.698 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000659435519 452282295 /nfs/dbraw/zinc/28/22/95/452282295.db2.gz JQUYFXRYULJQDA-UHFFFAOYSA-N 2 0 347.507 1.577 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000659444409 452294057 /nfs/dbraw/zinc/29/40/57/452294057.db2.gz HJDCTQOKEHFFBT-OAHLLOKOSA-N 2 0 348.491 1.814 20 0 EDADRP Cc1nccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)n1 ZINC000643606743 452332868 /nfs/dbraw/zinc/33/28/68/452332868.db2.gz VZOUCWWLQYJRAE-UHFFFAOYSA-N 2 0 339.443 1.508 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccco1 ZINC000659492705 452354529 /nfs/dbraw/zinc/35/45/29/452354529.db2.gz QKCZYELPFDKVHY-AAVRWANBSA-N 2 0 326.416 1.790 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)c1 ZINC000638066068 452367967 /nfs/dbraw/zinc/36/79/67/452367967.db2.gz YLGFXSIJBBJCDE-PKOBYXMFSA-N 2 0 333.476 1.912 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000638068177 452368805 /nfs/dbraw/zinc/36/88/05/452368805.db2.gz HJXUPXJVQOPOQL-DOTOQJQBSA-N 2 0 337.489 1.119 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NCCCC[NH+]1CCOCC1 ZINC000638066149 452369635 /nfs/dbraw/zinc/36/96/35/452369635.db2.gz DKURWOMCNJVPIP-UHFFFAOYSA-N 2 0 331.460 1.103 20 0 EDADRP CC[C@]1(O)CCC[NH+](CC2(C[N@H+]3CCC[C@@](O)(CC)C3)COC2)C1 ZINC000640035867 452371125 /nfs/dbraw/zinc/37/11/25/452371125.db2.gz ODXUABCXMAJVFX-OALUTQOASA-N 2 0 340.508 1.477 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659509215 452373297 /nfs/dbraw/zinc/37/32/97/452373297.db2.gz FIWJSHQLYXTIGE-COXVUDFISA-N 2 0 334.439 1.570 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638068816 452374617 /nfs/dbraw/zinc/37/46/17/452374617.db2.gz LEBALVJDCBIHSU-AEFFLSMTSA-N 2 0 337.439 1.703 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000638071102 452376965 /nfs/dbraw/zinc/37/69/65/452376965.db2.gz FFBAXOXRTVUESX-FUHWJXTLSA-N 2 0 330.476 1.046 20 0 EDADRP COC[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638071387 452381582 /nfs/dbraw/zinc/38/15/82/452381582.db2.gz IRNADELDRXVAAH-AZUAARDMSA-N 2 0 345.487 1.926 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC2([NH3+])CCC2)cc1 ZINC000659528998 452390305 /nfs/dbraw/zinc/39/03/05/452390305.db2.gz HMBCPVDTOOJMIB-IRXDYDNUSA-N 2 0 346.475 1.711 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652191369 452390832 /nfs/dbraw/zinc/39/08/32/452390832.db2.gz SHDJQNGEHYTGMJ-HPBDAGMYSA-N 2 0 348.491 1.683 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CCO1 ZINC000659533953 452394443 /nfs/dbraw/zinc/39/44/43/452394443.db2.gz ZQEOLRYCBJOMGP-SFHVURJKSA-N 2 0 346.475 1.542 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000638080891 452397575 /nfs/dbraw/zinc/39/75/75/452397575.db2.gz YHTKHCIMDJSTQU-HKUYNNGSSA-N 2 0 333.476 1.910 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000659542368 452400590 /nfs/dbraw/zinc/40/05/90/452400590.db2.gz NFTROFAEDSDVSW-WMZOPIPTSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000659545325 452403081 /nfs/dbraw/zinc/40/30/81/452403081.db2.gz ZSKNWVIVWVHUHV-FHLIZLRMSA-N 2 0 346.475 1.193 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]([NH3+])CC)cc1 ZINC000659547550 452405332 /nfs/dbraw/zinc/40/53/32/452405332.db2.gz CQNLWMMPTMLMBC-XIRDDKMYSA-N 2 0 334.464 1.567 20 0 EDADRP CC1(CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[NH2+]CC1 ZINC000652212491 452406222 /nfs/dbraw/zinc/40/62/22/452406222.db2.gz CRBAAGHSTVLVEO-JYJNAYRXSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652220182 452413135 /nfs/dbraw/zinc/41/31/35/452413135.db2.gz WTSNBUKLFRZCRI-UGUYLWEFSA-N 2 0 326.485 1.432 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000663687258 452425079 /nfs/dbraw/zinc/42/50/79/452425079.db2.gz JCGHMIYJWVWMIZ-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575989 452430187 /nfs/dbraw/zinc/43/01/87/452430187.db2.gz XLMBXJJDEBMGDQ-RCCFBDPRSA-N 2 0 330.476 1.916 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582048 452438476 /nfs/dbraw/zinc/43/84/76/452438476.db2.gz OTZVGPPPBHBHKT-DLTLXFJOSA-N 2 0 334.439 1.650 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000659589675 452446224 /nfs/dbraw/zinc/44/62/24/452446224.db2.gz WWVFRMUBZBXFBI-IKICRFKJSA-N 2 0 346.475 1.519 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000659589684 452446321 /nfs/dbraw/zinc/44/63/21/452446321.db2.gz WZOFQSOJUXDITO-BASLNEPJSA-N 2 0 334.439 1.650 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589616 452446513 /nfs/dbraw/zinc/44/65/13/452446513.db2.gz VFUHLDQQUFISGF-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000661629681 452450367 /nfs/dbraw/zinc/45/03/67/452450367.db2.gz ZZZBWRNZHIZQRM-QUCCMNQESA-N 2 0 345.487 1.642 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000659619975 452476043 /nfs/dbraw/zinc/47/60/43/452476043.db2.gz XBHZXPBOORKUSE-JJXSEGSLSA-N 2 0 326.485 1.288 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000652310169 452486603 /nfs/dbraw/zinc/48/66/03/452486603.db2.gz YYEWCCQFONPCIN-UHFFFAOYSA-N 2 0 338.496 1.130 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652320452 452493523 /nfs/dbraw/zinc/49/35/23/452493523.db2.gz AQQWTBNDISMJFU-UHFFFAOYSA-N 2 0 347.463 1.312 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652320698 452494485 /nfs/dbraw/zinc/49/44/85/452494485.db2.gz JGXRKBACGVEMRY-GOSISDBHSA-N 2 0 348.491 1.987 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000652335328 452503842 /nfs/dbraw/zinc/50/38/42/452503842.db2.gz ARFCZVCSQHZGDY-CYBMUJFWSA-N 2 0 337.489 1.687 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339783 452510004 /nfs/dbraw/zinc/51/00/04/452510004.db2.gz MLPFWVSYHWTGSE-FQEVSTJZSA-N 3 0 328.504 1.544 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)nc2)CC1 ZINC000645552167 452518681 /nfs/dbraw/zinc/51/86/81/452518681.db2.gz MJEVTNPJUGQXGH-OAHLLOKOSA-N 2 0 329.448 1.162 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(c2cnc(N3CC[C@H](C[NH+](C)C)C3)cn2)C1 ZINC000663789256 452519235 /nfs/dbraw/zinc/51/92/35/452519235.db2.gz YESPSKKTJBDVIS-IYBDPMFKSA-N 2 0 332.496 1.252 20 0 EDADRP CC(C)(C)CCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347697 452523328 /nfs/dbraw/zinc/52/33/28/452523328.db2.gz JRXLXIRPVLWNMC-XHSDSOJGSA-N 2 0 325.497 1.757 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647791218 452524617 /nfs/dbraw/zinc/52/46/17/452524617.db2.gz AUTNNZGMZZGCOG-OWCLPIDISA-N 2 0 337.489 1.415 20 0 EDADRP O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647795752 452527462 /nfs/dbraw/zinc/52/74/62/452527462.db2.gz VJJUZFFISXFTGX-GVDBMIGSSA-N 2 0 349.500 1.704 20 0 EDADRP CCOc1ccccc1NC(=O)CC[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000652356439 452534533 /nfs/dbraw/zinc/53/45/33/452534533.db2.gz JMYJYUOYKLJSGG-RHSMWYFYSA-N 2 0 335.448 1.710 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCSC1 ZINC000654473722 452540634 /nfs/dbraw/zinc/54/06/34/452540634.db2.gz UAMFLICLRBUDRQ-VYDXJSESSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000657856855 452571409 /nfs/dbraw/zinc/57/14/09/452571409.db2.gz WGSXCRQBTSQHKV-MRXNPFEDSA-N 2 0 345.447 1.167 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657891921 452595771 /nfs/dbraw/zinc/59/57/71/452595771.db2.gz QCPVVIMTCOVOKZ-MJGOQNOKSA-N 2 0 340.508 1.909 20 0 EDADRP O=c1c2ccccc2ncn1CCN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647903854 452645401 /nfs/dbraw/zinc/64/54/01/452645401.db2.gz QXWPBPXTGQGBBO-WBVHZDCISA-N 2 0 326.444 1.861 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1 ZINC000647909256 452649728 /nfs/dbraw/zinc/64/97/28/452649728.db2.gz ZDKSJLPYNJLQQY-QGZVFWFLSA-N 2 0 345.487 1.896 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCc1cccc(C[NH+]2CCCC2)c1)C(F)(F)F ZINC000655911338 452668183 /nfs/dbraw/zinc/66/81/83/452668183.db2.gz DEEWAKGAEJPEIX-CQSZACIVSA-N 2 0 344.381 1.971 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655914817 452675422 /nfs/dbraw/zinc/67/54/22/452675422.db2.gz OZDYFXKBAFVHAL-ZDUSSCGKSA-N 2 0 348.369 1.316 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652581078 452755335 /nfs/dbraw/zinc/75/53/35/452755335.db2.gz NJAVDWWPHCBSSZ-UHFFFAOYSA-N 2 0 333.436 1.098 20 0 EDADRP CN(C)c1cc(F)cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000650432069 452762178 /nfs/dbraw/zinc/76/21/78/452762178.db2.gz MCAHDCMYKODKKQ-UHFFFAOYSA-N 2 0 339.459 1.849 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)Nc2ccc(OCC[NH3+])cc2)cnn1C ZINC000648108362 452826124 /nfs/dbraw/zinc/82/61/24/452826124.db2.gz LAOLXDWSOWQVCE-SJORKVTESA-N 2 0 343.431 1.008 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726529 452842200 /nfs/dbraw/zinc/84/22/00/452842200.db2.gz ULTXGCQYAOGOKL-MSOLQXFVSA-N 2 0 343.475 1.930 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)[C@@H](C)C1 ZINC000654734432 452859569 /nfs/dbraw/zinc/85/95/69/452859569.db2.gz KWOGLZBEAHIERO-MWDXBVQZSA-N 2 0 338.496 1.100 20 0 EDADRP COCCN1CCN(c2nccc(N3CCCC(C)(C)C3)n2)CC1 ZINC000656107002 452865513 /nfs/dbraw/zinc/86/55/13/452865513.db2.gz QUDMXPLFLAIMQZ-UHFFFAOYSA-N 2 0 333.480 1.871 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)Nc1cnc(N2CCCC2=O)cn1 ZINC000664194459 452866739 /nfs/dbraw/zinc/86/67/39/452866739.db2.gz DTIAGUZSRIEOSY-AWEZNQCLSA-N 2 0 334.468 1.287 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000648168101 452881401 /nfs/dbraw/zinc/88/14/01/452881401.db2.gz VCPDIBKTNXLQTH-XXQMMXQMSA-N 2 0 327.472 1.869 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000648175891 452887497 /nfs/dbraw/zinc/88/74/97/452887497.db2.gz AJRKTBDQUQBTDE-HDMKZQKVSA-N 2 0 335.496 1.635 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1c1ccccc1F ZINC000648178164 452892057 /nfs/dbraw/zinc/89/20/57/452892057.db2.gz WYKGCTCEZLMHIM-FUHWJXTLSA-N 2 0 339.414 1.575 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000664217075 452892488 /nfs/dbraw/zinc/89/24/88/452892488.db2.gz KAWKMESTEYMORZ-ARFHVFGLSA-N 2 0 327.517 1.040 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000664217077 452892814 /nfs/dbraw/zinc/89/28/14/452892814.db2.gz KAWKMESTEYMORZ-JYJNAYRXSA-N 2 0 327.517 1.040 20 0 EDADRP C[C@H](CCNc1cc(=NCC[C@H](C)[NH+](C)C)nc2nc[nH]n21)[NH+](C)C ZINC000664245578 452923995 /nfs/dbraw/zinc/92/39/95/452923995.db2.gz QAXBUVOAXZSDOO-UONOGXRCSA-N 2 0 348.499 1.050 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000658428590 452957025 /nfs/dbraw/zinc/95/70/25/452957025.db2.gz NHMQQXWMIDTOFO-SUMWQHHRSA-N 2 0 346.475 1.630 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762276 452978180 /nfs/dbraw/zinc/97/81/80/452978180.db2.gz YWLCCYAFNRNNNG-CQSZACIVSA-N 2 0 339.505 1.991 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC4(C[NH+](C)C4)C3)cc2)CC1 ZINC000646020682 453017200 /nfs/dbraw/zinc/01/72/00/453017200.db2.gz XUYOANSTCUJIRR-UHFFFAOYSA-N 2 0 342.487 1.606 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCC2)c1 ZINC000666624571 453017664 /nfs/dbraw/zinc/01/76/64/453017664.db2.gz WRDQCAAYNFHKGC-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662316610 453033171 /nfs/dbraw/zinc/03/31/71/453033171.db2.gz KKHHIORSFPQBGU-BZSNNMDCSA-N 2 0 333.476 1.154 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000664369092 453039322 /nfs/dbraw/zinc/03/93/22/453039322.db2.gz YKUFUJPBORABBO-XHSDSOJGSA-N 2 0 339.528 1.183 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662352109 453068252 /nfs/dbraw/zinc/06/82/52/453068252.db2.gz UKVOONDFWHTUOJ-FUHWJXTLSA-N 2 0 331.460 1.694 20 0 EDADRP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000648446125 453090323 /nfs/dbraw/zinc/09/03/23/453090323.db2.gz AOKJSKFRBVRKEL-MSOLQXFVSA-N 2 0 347.507 1.926 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646103271 453103022 /nfs/dbraw/zinc/10/30/22/453103022.db2.gz NEQZVHNMNRPZOI-QGZVFWFLSA-N 2 0 334.460 1.531 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000662401141 453110468 /nfs/dbraw/zinc/11/04/68/453110468.db2.gz NEKRTVHLVLQPCG-GLJUWKHASA-N 2 0 333.480 1.727 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000656367294 453142323 /nfs/dbraw/zinc/14/23/23/453142323.db2.gz SGNKVWHNZRTVMV-UHFFFAOYSA-N 2 0 331.420 1.244 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000666872582 453203258 /nfs/dbraw/zinc/20/32/58/453203258.db2.gz ZEXKFZWYFODMNY-GJZGRUSLSA-N 2 0 344.459 1.260 20 0 EDADRP CC[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000662523779 453243604 /nfs/dbraw/zinc/24/36/04/453243604.db2.gz DWEQNZNPLUYJFV-ROUUACIJSA-N 2 0 333.476 1.692 20 0 EDADRP C[N@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662525560 453245081 /nfs/dbraw/zinc/24/50/81/453245081.db2.gz IGFPXAHBFMZBLR-CQSZACIVSA-N 2 0 333.480 1.871 20 0 EDADRP CC(C)N1CC[C@H](NC(=O)COCC[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000646297013 453295441 /nfs/dbraw/zinc/29/54/41/453295441.db2.gz BHXGAEGMGQTOGR-RDJZCZTQSA-N 2 0 341.402 1.580 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[C@H]1c1cccs1 ZINC000653121993 453313830 /nfs/dbraw/zinc/31/38/30/453313830.db2.gz IEOYFMFVLVDGRJ-DNUAJFIVSA-N 2 0 349.500 1.483 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC000648834427 453315324 /nfs/dbraw/zinc/31/53/24/453315324.db2.gz CFUAHJXPSBBVLZ-SJLPKXTDSA-N 2 0 336.524 1.344 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1)[NH+]1CCCCCC1 ZINC000646321713 453317516 /nfs/dbraw/zinc/31/75/16/453317516.db2.gz OTHQLSSEPPLOQL-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)NC[C@H](C)[NH3+])ccc1OC ZINC000667002827 453322450 /nfs/dbraw/zinc/32/24/50/453322450.db2.gz ATXLXSOUZIGUPQ-ZDUSSCGKSA-N 2 0 338.452 1.885 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000653149104 453336472 /nfs/dbraw/zinc/33/64/72/453336472.db2.gz XDVVQEBTMBVKEI-INIZCTEOSA-N 2 0 340.899 1.509 20 0 EDADRP CCCN(C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CC[NH2+]CC1 ZINC000662660885 453374167 /nfs/dbraw/zinc/37/41/67/453374167.db2.gz YYPLSOCINVWUQV-OAHLLOKOSA-N 2 0 334.468 1.197 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[NH+](CC)CC ZINC000653184071 453375055 /nfs/dbraw/zinc/37/50/55/453375055.db2.gz MMFPEGDFQZFBSH-NXOAAHMSSA-N 2 0 325.497 1.852 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)C3([NH3+])Cc4ccccc4C3)C2)C1 ZINC000653190474 453380326 /nfs/dbraw/zinc/38/03/26/453380326.db2.gz KMLCNBDLOGMPLC-KZNAEPCWSA-N 2 0 343.471 1.228 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000662675842 453393961 /nfs/dbraw/zinc/39/39/61/453393961.db2.gz TZQQCHXGUZWQBC-INIZCTEOSA-N 2 0 334.464 1.695 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)c(F)c1 ZINC000653223597 453411115 /nfs/dbraw/zinc/41/11/15/453411115.db2.gz SZNFPMKDKMCDPT-IBGZPJMESA-N 2 0 327.403 1.832 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662695344 453416969 /nfs/dbraw/zinc/41/69/69/453416969.db2.gz ZEWNZIOUOGHHNU-NVXWUHKLSA-N 2 0 333.480 1.658 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])c2)CC1 ZINC000662698894 453419910 /nfs/dbraw/zinc/41/99/10/453419910.db2.gz SNGRSDVCVZMDHX-RBUKOAKNSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000662699214 453420848 /nfs/dbraw/zinc/42/08/48/453420848.db2.gz XYRXUCYXSBSLMN-MRXNPFEDSA-N 2 0 332.448 1.903 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000662701220 453421935 /nfs/dbraw/zinc/42/19/35/453421935.db2.gz OOQNWIZEHITZMP-OKZBNKHCSA-N 2 0 331.460 1.612 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662702773 453424471 /nfs/dbraw/zinc/42/44/71/453424471.db2.gz MQZPVXOVNRAWSU-UHFFFAOYSA-N 2 0 346.431 1.739 20 0 EDADRP C[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CC[NH+](C)CC1 ZINC000662702952 453425481 /nfs/dbraw/zinc/42/54/81/453425481.db2.gz DONQAQBSPQBNDG-UKRRQHHQSA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)CNC(=O)CCC[NH+]1CCC(N2CCOC[C@H]2C)CC1 ZINC000660589316 453430461 /nfs/dbraw/zinc/43/04/61/453430461.db2.gz GJNIZODHPNCLJB-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP CCO[C@@H]1CN(C(=O)c2oc3ccccc3c2C[NH+](C)C)C[C@H]1C[NH3+] ZINC000653247737 453431605 /nfs/dbraw/zinc/43/16/05/453431605.db2.gz OSFDCWXHVBMYKV-CXAGYDPISA-N 2 0 345.443 1.930 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C[C@H]1C[NH3+] ZINC000653247174 453431847 /nfs/dbraw/zinc/43/18/47/453431847.db2.gz ONURZZWTEBBTQN-FGTMMUONSA-N 2 0 331.460 1.473 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653259976 453441100 /nfs/dbraw/zinc/44/11/00/453441100.db2.gz BARXQPNACFEZGY-RCCFBDPRSA-N 2 0 337.508 1.994 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653261498 453444667 /nfs/dbraw/zinc/44/46/67/453444667.db2.gz SGOBYGDWLCCCKB-TVFCKZIOSA-N 2 0 331.460 1.964 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000662730627 453457406 /nfs/dbraw/zinc/45/74/06/453457406.db2.gz LMLZGWFRXMWILN-JEQQUTEPSA-N 2 0 343.471 1.662 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)ccn1 ZINC000655352668 453471808 /nfs/dbraw/zinc/47/18/08/453471808.db2.gz OAAYTBPPTPLXLK-IRXDYDNUSA-N 2 0 346.475 1.769 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662749402 453480058 /nfs/dbraw/zinc/48/00/58/453480058.db2.gz LJIZQHNDYXDBPP-CABCVRRESA-N 2 0 334.468 1.007 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662749922 453481837 /nfs/dbraw/zinc/48/18/37/453481837.db2.gz IKQYPQLUJACAPN-GUDVDZBRSA-N 2 0 345.487 1.721 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000660733829 453552485 /nfs/dbraw/zinc/55/24/85/453552485.db2.gz BKECTGXIKUGSDD-UHFFFAOYSA-N 2 0 330.476 1.289 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662831794 453557259 /nfs/dbraw/zinc/55/72/59/453557259.db2.gz CFAKFBIFUDADQJ-MJGOQNOKSA-N 2 0 343.471 1.934 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000658981157 453562239 /nfs/dbraw/zinc/56/22/39/453562239.db2.gz NTMXWNAMEQPQEA-UHFFFAOYSA-N 2 0 343.475 1.702 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662845916 453566795 /nfs/dbraw/zinc/56/67/95/453566795.db2.gz DNRLWIZJVNJSBW-UHFFFAOYSA-N 2 0 325.497 1.759 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662846367 453568113 /nfs/dbraw/zinc/56/81/13/453568113.db2.gz MFPPCHYQPBSCJJ-HXUWFJFHSA-N 2 0 345.487 1.868 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662859039 453574362 /nfs/dbraw/zinc/57/43/62/453574362.db2.gz NCIMFTDOZUEGGR-KRWDZBQOSA-N 2 0 330.476 1.798 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659044995 453597607 /nfs/dbraw/zinc/59/76/07/453597607.db2.gz UBPLKZUJIHBFSE-IRXDYDNUSA-N 2 0 332.448 1.905 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCN3CCC4)cc21 ZINC000662907943 453597655 /nfs/dbraw/zinc/59/76/55/453597655.db2.gz RGMYNGIKWCDSJW-ROUUACIJSA-N 2 0 342.487 1.185 20 0 EDADRP C[N@H+](CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000660841315 453600436 /nfs/dbraw/zinc/60/04/36/453600436.db2.gz OMKBAVOEFLRZPO-UHFFFAOYSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240316 453619937 /nfs/dbraw/zinc/61/99/37/453619937.db2.gz IBNLBZMRBRKUHD-RHSMWYFYSA-N 2 0 326.444 1.912 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665273097 453632667 /nfs/dbraw/zinc/63/26/67/453632667.db2.gz PWLMXVKBTBFXKG-SFHVURJKSA-N 2 0 346.519 1.685 20 0 EDADRP CC[C@@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285635 453635777 /nfs/dbraw/zinc/63/57/77/453635777.db2.gz SETBQRWUPHCIAN-AQNXPRMDSA-N 2 0 330.520 1.923 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000659103520 453636427 /nfs/dbraw/zinc/63/64/27/453636427.db2.gz RWYGMJBXFNNFBP-ZDUSSCGKSA-N 2 0 348.422 1.010 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000665290848 453638347 /nfs/dbraw/zinc/63/83/47/453638347.db2.gz MNODMQNJUMISEZ-UKRRQHHQSA-N 2 0 327.432 1.566 20 0 EDADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291285 453638545 /nfs/dbraw/zinc/63/85/45/453638545.db2.gz ZDFQMQDIUDPIKG-LLVKDONJSA-N 2 0 330.388 1.481 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000659264010 453691279 /nfs/dbraw/zinc/69/12/79/453691279.db2.gz IROQEVZFOCLUFE-DZKIICNBSA-N 2 0 339.505 2.000 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000659289151 453704016 /nfs/dbraw/zinc/70/40/16/453704016.db2.gz CGNHLFPCOAHDSH-HNNXBMFYSA-N 2 0 334.464 1.519 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000659293751 453705902 /nfs/dbraw/zinc/70/59/02/453705902.db2.gz HBJPABJAAGFZBL-LJQANCHMSA-N 2 0 343.471 1.792 20 0 EDADRP COC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000661158927 453740589 /nfs/dbraw/zinc/74/05/89/453740589.db2.gz QHJTTXJEYWHNLI-KRWDZBQOSA-N 2 0 341.496 1.007 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[C@@H](N4CC[NH2+]CC4)C3)c2cc1OC ZINC000663238416 453742381 /nfs/dbraw/zinc/74/23/81/453742381.db2.gz ATQVWUKFRCMWKH-CQSZACIVSA-N 2 0 342.443 1.736 20 0 EDADRP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657360189 453774126 /nfs/dbraw/zinc/77/41/26/453774126.db2.gz YSEVQGDAVKHPHX-GFCCVEGCSA-N 2 0 345.413 1.697 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000663370336 453782440 /nfs/dbraw/zinc/78/24/40/453782440.db2.gz PJGHLQVDTUNQGG-CQSZACIVSA-N 2 0 347.381 1.125 20 0 EDADRP Cc1c(N2CCC([NH+](C)C)CC2)ncnc1N1CCC([NH+](C)C)CC1 ZINC000663386113 453785963 /nfs/dbraw/zinc/78/59/63/453785963.db2.gz CDJFRLGPAZCSOG-UHFFFAOYSA-N 2 0 346.523 1.846 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)Cc2ccn(C(C)C)n2)CC1 ZINC000663505534 453812229 /nfs/dbraw/zinc/81/22/29/453812229.db2.gz KDLVFBRVWWEECK-INIZCTEOSA-N 2 0 349.523 1.975 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512509 453813597 /nfs/dbraw/zinc/81/35/97/453813597.db2.gz NUMUHUPWEHETJE-IXDOHACOSA-N 3 0 346.523 1.387 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1scnc1C1CC1)N1CC[NH2+]CC1 ZINC000414966088 486735079 /nfs/dbraw/zinc/73/50/79/486735079.db2.gz FZNJYAIGPBGRKY-LBPRGKRZSA-N 2 0 334.411 1.946 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CCC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000572974664 486735941 /nfs/dbraw/zinc/73/59/41/486735941.db2.gz JZWYTIXFXHZJCA-SFHVURJKSA-N 2 0 346.475 1.837 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CC4CCC3(C[NH3+])CC4)ccn2)CC1 ZINC000575191490 486753825 /nfs/dbraw/zinc/75/38/25/486753825.db2.gz MLLHAZNRJHDGRJ-UHFFFAOYSA-N 2 0 343.475 1.177 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000417990267 486820501 /nfs/dbraw/zinc/82/05/01/486820501.db2.gz KHADACQQKOLCBG-KURKYZTESA-N 2 0 346.475 1.322 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C1 ZINC000684116508 486949992 /nfs/dbraw/zinc/94/99/92/486949992.db2.gz HNMXYABPCFEPAQ-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320739238 486957398 /nfs/dbraw/zinc/95/73/98/486957398.db2.gz LSDSADPFLGBZPV-OAHLLOKOSA-N 2 0 329.366 1.906 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667791286 486965301 /nfs/dbraw/zinc/96/53/01/486965301.db2.gz JPFKQFHAJMABLN-UHFFFAOYSA-N 2 0 331.464 1.969 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)nc1 ZINC000667840973 486988325 /nfs/dbraw/zinc/98/83/25/486988325.db2.gz NCZREFYDBJFXBZ-QZTJIDSGSA-N 2 0 345.491 1.536 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000673530345 487048825 /nfs/dbraw/zinc/04/88/25/487048825.db2.gz HQQOZWCUTQXMKM-LJQANCHMSA-N 2 0 345.487 1.472 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(C2CCC2)nn1 ZINC000668159817 487124662 /nfs/dbraw/zinc/12/46/62/487124662.db2.gz IEMBKHJHXMXGFT-GOSISDBHSA-N 2 0 334.512 1.851 20 0 EDADRP O=C(C[NH2+][C@]1(CO)CCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000677987094 487220603 /nfs/dbraw/zinc/22/06/03/487220603.db2.gz HXHRZSZAHZHDCE-FQEVSTJZSA-N 2 0 343.471 1.153 20 0 EDADRP CN(Cc1cccc(NS(C)(=O)=O)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000678153160 487258587 /nfs/dbraw/zinc/25/85/87/487258587.db2.gz GFLPIXVDQKHAPQ-OAHLLOKOSA-N 2 0 325.478 1.832 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000685925103 487346116 /nfs/dbraw/zinc/34/61/16/487346116.db2.gz CINWVZJDJZMKID-IKGGRYGDSA-N 2 0 342.528 1.905 20 0 EDADRP COCc1nc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc(OC)n1 ZINC000682392291 487356433 /nfs/dbraw/zinc/35/64/33/487356433.db2.gz HINULAZRZAPGOQ-ZDUSSCGKSA-N 2 0 335.452 1.212 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)cn1 ZINC000678764232 487361650 /nfs/dbraw/zinc/36/16/50/487361650.db2.gz OCERRHBAFDAWEE-HNNXBMFYSA-N 2 0 334.468 1.394 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000675192710 487387388 /nfs/dbraw/zinc/38/73/88/487387388.db2.gz LZBQIQNHSFUHKP-ZBFHGGJFSA-N 2 0 328.526 1.597 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCS2(=O)=O)cc1 ZINC000675763188 487442354 /nfs/dbraw/zinc/44/23/54/487442354.db2.gz IJXJOILRRUCRJV-MRXNPFEDSA-N 2 0 326.462 1.294 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000679825161 487466417 /nfs/dbraw/zinc/46/64/17/487466417.db2.gz DVXAEPZCCAGMNH-QZTJIDSGSA-N 2 0 331.460 1.354 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000669557873 485563091 /nfs/dbraw/zinc/56/30/91/485563091.db2.gz JVKBIZLDLSZIJG-RRQVMCLOSA-N 2 0 340.471 1.414 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC/C=C\C[NH3+])CC1 ZINC000669236536 485846478 /nfs/dbraw/zinc/84/64/78/485846478.db2.gz ZAQICKMSZXCUNF-WAYWQWQTSA-N 2 0 345.491 1.138 20 0 EDADRP CN(CC[NH2+]CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC1 ZINC000569568493 485872553 /nfs/dbraw/zinc/87/25/53/485872553.db2.gz NKUAJKGDTUJCKG-UHFFFAOYSA-N 2 0 344.459 1.826 20 0 EDADRP C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669323328 485968825 /nfs/dbraw/zinc/96/88/25/485968825.db2.gz RHNJYKASPAHSKW-IKGGRYGDSA-N 2 0 338.496 1.128 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCCC1 ZINC000668644728 485989627 /nfs/dbraw/zinc/98/96/27/485989627.db2.gz PFLJMCWUPKPCID-RDJZCZTQSA-N 2 0 346.475 1.835 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669349090 485997745 /nfs/dbraw/zinc/99/77/45/485997745.db2.gz DGYLVVSMJAQZFA-SNAWJCMRSA-N 2 0 331.464 1.013 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2nc[nH]c2cc1F ZINC000668686923 486046420 /nfs/dbraw/zinc/04/64/20/486046420.db2.gz ARHKPPJOTLINBR-UHFFFAOYSA-N 2 0 347.438 1.800 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000675193848 486048915 /nfs/dbraw/zinc/04/89/15/486048915.db2.gz HBMUKDVOLQXGTL-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000208260844 486110840 /nfs/dbraw/zinc/11/08/40/486110840.db2.gz CAQRMUZIZUDTPL-SFTDATJTSA-N 2 0 339.483 1.735 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000668809845 486219223 /nfs/dbraw/zinc/21/92/23/486219223.db2.gz DIKUTDHZCWVPDX-NVXWUHKLSA-N 2 0 334.464 1.266 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000669483796 486250140 /nfs/dbraw/zinc/25/01/40/486250140.db2.gz NBZRYBCTKRBZPA-MSOLQXFVSA-N 2 0 346.475 1.583 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000669508992 486291855 /nfs/dbraw/zinc/29/18/55/486291855.db2.gz ZEQHMSFKCRETTI-HZPDHXFCSA-N 2 0 331.391 1.693 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@H]1C ZINC000668931830 486357748 /nfs/dbraw/zinc/35/77/48/486357748.db2.gz PKJHLKBEHJGRQW-FPCVCCKLSA-N 2 0 348.495 1.270 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCc2ccc(N3CCCCCC3)nc2)N(C)C1 ZINC000671448461 486520082 /nfs/dbraw/zinc/52/00/82/486520082.db2.gz HSAMUTYXELBRII-IRXDYDNUSA-N 2 0 346.475 1.797 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000670472757 486567477 /nfs/dbraw/zinc/56/74/77/486567477.db2.gz UPAHPUAGVJFLGJ-UHFFFAOYSA-N 2 0 332.448 1.080 20 0 EDADRP O[C@H](COCc1ccccc1F)C[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000305066895 491007583 /nfs/dbraw/zinc/00/75/83/491007583.db2.gz IDCNRVIVUJZNDG-SFHVURJKSA-N 2 0 345.418 1.920 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000080106524 491171516 /nfs/dbraw/zinc/17/15/16/491171516.db2.gz OGYPBDLPLDLHTD-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000188700532 521584414 /nfs/dbraw/zinc/58/44/14/521584414.db2.gz ZHLOBKGBKDQZRB-UHFFFAOYSA-N 2 0 343.435 1.161 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1)C(C)C ZINC000339610722 535065730 /nfs/dbraw/zinc/06/57/30/535065730.db2.gz GGEGSCHMYRVTOR-INIZCTEOSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000246507707 535123501 /nfs/dbraw/zinc/12/35/01/535123501.db2.gz QHXGKCVQVJVUEK-NXHRZFHOSA-N 2 0 333.476 1.796 20 0 EDADRP CC(C)[C@@]1(CO)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000339701749 535317555 /nfs/dbraw/zinc/31/75/55/535317555.db2.gz NNTZADNGPFYVKZ-IBGZPJMESA-N 2 0 337.508 1.460 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC1 ZINC000333393106 535331081 /nfs/dbraw/zinc/33/10/81/535331081.db2.gz PBWZCQDDOWHBGS-JKSUJKDBSA-N 2 0 338.496 1.127 20 0 EDADRP CC[NH2+]CC1CC[NH+](CCOc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000261737854 535458267 /nfs/dbraw/zinc/45/82/67/535458267.db2.gz NTCYJGCZSAOCKE-UHFFFAOYSA-N 2 0 341.477 1.034 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC1 ZINC000339519848 535465645 /nfs/dbraw/zinc/46/56/45/535465645.db2.gz URURFNWHRTVRQT-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000340115342 535523436 /nfs/dbraw/zinc/52/34/36/535523436.db2.gz YULFYWIHTOMSKO-NXOAAHMSSA-N 2 0 325.497 1.615 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])cc1 ZINC000262522875 535538956 /nfs/dbraw/zinc/53/89/56/535538956.db2.gz JFRRGMFMVAZGAX-ZIAGYGMSSA-N 2 0 334.464 1.680 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348091426 535741291 /nfs/dbraw/zinc/74/12/91/535741291.db2.gz XVXXZPAYQDRCPW-IAGOWNOFSA-N 2 0 342.491 1.944 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)C2([NH3+])CC2)CC1 ZINC000261843141 535747007 /nfs/dbraw/zinc/74/70/07/535747007.db2.gz ANMHZCLKZCOTEW-ZDUSSCGKSA-N 2 0 334.439 1.636 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262392587 535770896 /nfs/dbraw/zinc/77/08/96/535770896.db2.gz OKFGDGCANCOBKB-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000262674252 535889380 /nfs/dbraw/zinc/88/93/80/535889380.db2.gz QRMTVZDAQROCQU-IRXDYDNUSA-N 2 0 346.475 1.112 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000262081256 536017497 /nfs/dbraw/zinc/01/74/97/536017497.db2.gz QNNCYYKPVKDAPR-UHFFFAOYSA-N 2 0 347.484 1.898 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262823497 536560169 /nfs/dbraw/zinc/56/01/69/536560169.db2.gz XMSLQUZRNRWSFQ-UXLLHSPISA-N 2 0 341.496 1.088 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000247482530 536860029 /nfs/dbraw/zinc/86/00/29/536860029.db2.gz JWBBJBNFHYRBJS-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)C1(CNC(=S)NC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000741482097 579419327 /nfs/dbraw/zinc/41/93/27/579419327.db2.gz FLJRYPPTAREACE-UHFFFAOYSA-N 2 0 346.544 1.644 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000729347159 578564597 /nfs/dbraw/zinc/56/45/97/578564597.db2.gz NKCSUWAPFIIWCH-GOSISDBHSA-N 2 0 337.508 1.966 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736769908 579018927 /nfs/dbraw/zinc/01/89/27/579018927.db2.gz WRABVAMTFOIXSF-UHFFFAOYSA-N 2 0 343.479 1.230 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000745823540 579564472 /nfs/dbraw/zinc/56/44/72/579564472.db2.gz CMAUGZRYWIHBGK-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP CCN(C[C@H]1CC[N@H+](C[C@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118095 579713636 /nfs/dbraw/zinc/71/36/36/579713636.db2.gz XJCPOHFAYOZCAW-HUUCEWRRSA-N 2 0 337.430 1.649 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512483 579729062 /nfs/dbraw/zinc/72/90/62/579729062.db2.gz AIPARBZFDARIKL-VQIMIIECSA-N 2 0 343.471 1.999 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(CN2CC3(CC2=O)CCOCC3)C1 ZINC000753095872 579872509 /nfs/dbraw/zinc/87/25/09/579872509.db2.gz XUWFEFUHYXSBJY-QGZVFWFLSA-N 2 0 335.492 1.637 20 0 EDADRP CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755780199 579934860 /nfs/dbraw/zinc/93/48/60/579934860.db2.gz WTAPTALKRSQMJM-CVEARBPZSA-N 2 0 336.480 1.574 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000763133933 580093703 /nfs/dbraw/zinc/09/37/03/580093703.db2.gz KZRJNVDABFBBKT-HTWSVDAQSA-N 2 0 338.496 1.149 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000763987912 580109949 /nfs/dbraw/zinc/10/99/49/580109949.db2.gz NEIWOLZEXBATPJ-SFHVURJKSA-N 2 0 336.524 1.539 20 0 EDADRP O=C(C[NH2+][C@H](CO)C1CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000771814518 580295224 /nfs/dbraw/zinc/29/52/24/580295224.db2.gz AHEGGKWIQZFIAR-QGZVFWFLSA-N 2 0 349.500 1.534 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000776605021 580423920 /nfs/dbraw/zinc/42/39/20/580423920.db2.gz XBHHIPKSEGUYIF-RMKNXTFCSA-N 2 0 331.460 1.851 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000779591666 580490784 /nfs/dbraw/zinc/49/07/84/580490784.db2.gz QHPQXRDYKXUZGJ-UHFFFAOYSA-N 2 0 345.491 1.998 20 0 EDADRP C[NH+]1CCC(NC(=S)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000782443772 580575157 /nfs/dbraw/zinc/57/51/57/580575157.db2.gz CBLYDIGXHSODNQ-UHFFFAOYSA-N 2 0 336.509 1.530 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000785456515 580645045 /nfs/dbraw/zinc/64/50/45/580645045.db2.gz WAQFYBOCUOKCCM-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP C[NH+]1CCC(CNC(=S)NC[C@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000790603003 580773603 /nfs/dbraw/zinc/77/36/03/580773603.db2.gz GWQBIVQJVQRCNG-OAHLLOKOSA-N 2 0 326.554 1.913 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(F)cn2)[C@@H](C)C1 ZINC000799322278 581025469 /nfs/dbraw/zinc/02/54/69/581025469.db2.gz LSJAZOLMGBSWLL-ZVZYQTTQSA-N 2 0 339.455 1.981 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C[C@H]2COC(C)(C)O2)CC1 ZINC000891844000 590650488 /nfs/dbraw/zinc/65/04/88/590650488.db2.gz ANRXXZAVKLFZQR-ULQDDVLXSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCOC1CC[NH+]([C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892005567 590739473 /nfs/dbraw/zinc/73/94/73/590739473.db2.gz WQCRQJOBPIGAPB-CVEARBPZSA-N 2 0 330.444 1.663 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cn2ccnc2s1)C(=O)NCC[NH+](C)C ZINC000893261352 590741589 /nfs/dbraw/zinc/74/15/89/590741589.db2.gz YFHCMSDCQDCYBD-AWEZNQCLSA-N 2 0 337.493 1.578 20 0 EDADRP [NH3+][C@H](CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000892030482 590761407 /nfs/dbraw/zinc/76/14/07/590761407.db2.gz KLXVBVIWMGXFRX-HZPDHXFCSA-N 2 0 332.448 1.144 20 0 EDADRP O=C(NCC1C[NH2+]C1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000892047312 590770574 /nfs/dbraw/zinc/77/05/74/590770574.db2.gz NTTMNDJUCVYBSH-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000892050583 590774585 /nfs/dbraw/zinc/77/45/85/590774585.db2.gz DPOFCGXNDFYIDW-FUHWJXTLSA-N 2 0 348.491 1.290 20 0 EDADRP C[C@@]1(CNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CCC[NH2+]C1 ZINC000892059297 590775728 /nfs/dbraw/zinc/77/57/28/590775728.db2.gz BDFZNNFNELVMOJ-GOSISDBHSA-N 2 0 338.496 1.319 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000892092935 590792699 /nfs/dbraw/zinc/79/26/99/590792699.db2.gz SRAOUMOOGLWIIR-JQFCIGGWSA-N 2 0 332.448 1.349 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000892100791 590798828 /nfs/dbraw/zinc/79/88/28/590798828.db2.gz MWBQEBJNOZFOMY-GOSISDBHSA-N 2 0 344.459 1.661 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892143337 590820187 /nfs/dbraw/zinc/82/01/87/590820187.db2.gz DEKZZNNSPUHOOO-RCCFBDPRSA-N 2 0 330.476 1.887 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)[C@H]1OC ZINC000893486585 590904330 /nfs/dbraw/zinc/90/43/30/590904330.db2.gz GANPFIPNQBAWPP-MTQWCTHYSA-N 2 0 348.487 1.925 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000892273831 590905907 /nfs/dbraw/zinc/90/59/07/590905907.db2.gz KWEMHRWDXRGLDM-IAGOWNOFSA-N 2 0 344.459 1.636 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000892273835 590906330 /nfs/dbraw/zinc/90/63/30/590906330.db2.gz KWEMHRWDXRGLDM-SJORKVTESA-N 2 0 344.459 1.636 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000892283465 590912670 /nfs/dbraw/zinc/91/26/70/590912670.db2.gz ZLJNRIPSADTAJY-GVDBMIGSSA-N 2 0 332.448 1.492 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892329059 590952055 /nfs/dbraw/zinc/95/20/55/590952055.db2.gz BJKVSDHZJFVCAZ-LJQANCHMSA-N 2 0 328.460 1.617 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892338523 590967231 /nfs/dbraw/zinc/96/72/31/590967231.db2.gz DRJZCPBNPPLMLR-UHFFFAOYSA-N 2 0 330.476 1.863 20 0 EDADRP CN1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+](C)CC1 ZINC000888989526 590969026 /nfs/dbraw/zinc/96/90/26/590969026.db2.gz PJPOOBPDIROFGK-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892343878 590971991 /nfs/dbraw/zinc/97/19/91/590971991.db2.gz UWVVNUZVDFHYGT-UHFFFAOYSA-N 2 0 346.475 1.242 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892344434 590973097 /nfs/dbraw/zinc/97/30/97/590973097.db2.gz RYUOXNDTUAUZHS-SFHVURJKSA-N 2 0 330.476 1.814 20 0 EDADRP COCCOC[C@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000892397770 591010325 /nfs/dbraw/zinc/01/03/25/591010325.db2.gz SFJNWHVRPFFAOU-PKOBYXMFSA-N 2 0 335.492 1.616 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000892483805 591043969 /nfs/dbraw/zinc/04/39/69/591043969.db2.gz AXIORMDSCRTIKQ-INIZCTEOSA-N 2 0 345.491 1.687 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC[NH+]2CCC(O)CC2)c1 ZINC000892489551 591046609 /nfs/dbraw/zinc/04/66/09/591046609.db2.gz BQFLACPUPYBWBF-UHFFFAOYSA-N 2 0 348.491 1.394 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891339917 591049786 /nfs/dbraw/zinc/04/97/86/591049786.db2.gz LGUAMXWBNLVDMT-MSOLQXFVSA-N 2 0 343.475 1.582 20 0 EDADRP CC[C@@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000891349119 591054425 /nfs/dbraw/zinc/05/44/25/591054425.db2.gz VNWDGUMFRXNFPD-OTWHNJEPSA-N 2 0 342.487 1.969 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)C2)cc1 ZINC000892529971 591060921 /nfs/dbraw/zinc/06/09/21/591060921.db2.gz GSXMXFUMJLPPDU-QYZOEREBSA-N 2 0 342.487 1.963 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CCN(C)CC[N@H+](C)CC2)CC1 ZINC000892570393 591075947 /nfs/dbraw/zinc/07/59/47/591075947.db2.gz NIZDUZKNXNDAPU-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891537411 591112423 /nfs/dbraw/zinc/11/24/23/591112423.db2.gz BXPXQECUZKNSSE-ROUUACIJSA-N 2 0 330.476 1.875 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000892687948 591131482 /nfs/dbraw/zinc/13/14/82/591131482.db2.gz ZEIXXPFAMHWYGS-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000891647235 591165061 /nfs/dbraw/zinc/16/50/61/591165061.db2.gz SJRILCKMOLCMJT-IRXDYDNUSA-N 2 0 334.439 1.793 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777258 591172073 /nfs/dbraw/zinc/17/20/73/591172073.db2.gz RUUJUKXSAJMAMF-INIZCTEOSA-N 2 0 338.496 1.317 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000891695013 591187406 /nfs/dbraw/zinc/18/74/06/591187406.db2.gz WCYXXAXASIOVOD-IXDOHACOSA-N 2 0 338.496 1.277 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000892924576 591226351 /nfs/dbraw/zinc/22/63/51/591226351.db2.gz ZFERDVCFNQLIJD-UHFFFAOYSA-N 2 0 338.496 1.354 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000892936273 591230228 /nfs/dbraw/zinc/23/02/28/591230228.db2.gz ZNJUXZKYFIOMOI-VXGBXAGGSA-N 2 0 336.402 1.769 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000895627327 591235340 /nfs/dbraw/zinc/23/53/40/591235340.db2.gz FQECYXUWYHYHBV-OAGGEKHMSA-N 2 0 338.496 1.100 20 0 EDADRP COCCOc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000895699812 591252921 /nfs/dbraw/zinc/25/29/21/591252921.db2.gz PYOONLQKIQDBRN-HZPDHXFCSA-N 2 0 339.480 1.476 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C[C@H]2C[C@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000895700690 591252954 /nfs/dbraw/zinc/25/29/54/591252954.db2.gz ZMSITLCSBULIOR-TUVASFSCSA-N 3 0 332.330 1.831 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CC[S@@](C)=O)c2c1OC(F)(F)O2 ZINC000894282672 591264469 /nfs/dbraw/zinc/26/44/69/591264469.db2.gz BTRTWDGWXRTXEK-JOCHJYFZSA-N 2 0 334.388 1.538 20 0 EDADRP CCc1[nH]c(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc1C(=O)OC ZINC000894330713 591280781 /nfs/dbraw/zinc/28/07/81/591280781.db2.gz QMNZRZPZELEIKB-UHFFFAOYSA-N 2 0 337.464 1.689 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894377626 591295238 /nfs/dbraw/zinc/29/52/38/591295238.db2.gz CWHJLCJSOJNUBX-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CN1CCN(C(=O)C2CC[NH+](Cc3ccnn3C3CCC3)CC2)CC1 ZINC000894451184 591315547 /nfs/dbraw/zinc/31/55/47/591315547.db2.gz DXCFVPTUDZCYEK-UHFFFAOYSA-N 2 0 345.491 1.594 20 0 EDADRP CN1CC[NH+](CC2CCN(Cc3nnc(C4CC4)s3)CC2)CC1 ZINC000894458582 591316985 /nfs/dbraw/zinc/31/69/85/591316985.db2.gz WRALKGYRLZBBKV-UHFFFAOYSA-N 2 0 335.521 1.875 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896037603 591328284 /nfs/dbraw/zinc/32/82/84/591328284.db2.gz YQEHWJGDYNVZRU-SFHVURJKSA-N 2 0 331.460 1.427 20 0 EDADRP CN(CCC[N@H+](C)[C@H]1CCC2(C[C@H]1F)OCCO2)CC[NH+](C)C ZINC000894523776 591332857 /nfs/dbraw/zinc/33/28/57/591332857.db2.gz NBXHHLIOSQNMRC-CVEARBPZSA-N 2 0 331.476 1.435 20 0 EDADRP CCOC(=O)C1([S@@](C)=O)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000894680823 591386170 /nfs/dbraw/zinc/38/61/70/591386170.db2.gz FQSDZZCGBRULIK-JOCHJYFZSA-N 2 0 330.494 1.104 20 0 EDADRP COC(=O)c1ccc(N2CC[NH+](CC3CC[NH+](C)CC3)CC2)s1 ZINC000894802467 591421170 /nfs/dbraw/zinc/42/11/70/591421170.db2.gz PEDSECVLDBBIDO-UHFFFAOYSA-N 2 0 337.489 1.999 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000896609463 591552170 /nfs/dbraw/zinc/55/21/70/591552170.db2.gz NVDZEBJWYITBRD-PMPSAXMXSA-N 2 0 340.537 1.597 20 0 EDADRP CNC(=O)[C@@H](C[NH2+]CC1CC[NH+](C)CC1)Cc1ccc(F)cc1C ZINC000895084538 591575089 /nfs/dbraw/zinc/57/50/89/591575089.db2.gz YLNOLJGSGFQUQY-QGZVFWFLSA-N 2 0 335.467 1.970 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000841029418 591579836 /nfs/dbraw/zinc/57/98/36/591579836.db2.gz OSTQUAGCEHIETA-KBPBESRZSA-N 2 0 333.423 1.238 20 0 EDADRP Cn1ccnc1CN1CCC(C(=O)NCC(C)(C)n2ccnc2)CC1 ZINC000898901663 591586959 /nfs/dbraw/zinc/58/69/59/591586959.db2.gz MQCPFMBIDPZBFE-UHFFFAOYSA-N 2 0 344.463 1.380 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896747657 591601749 /nfs/dbraw/zinc/60/17/49/591601749.db2.gz FQAZLCXZDHXSEX-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896749844 591602188 /nfs/dbraw/zinc/60/21/88/591602188.db2.gz YTDCDUTXGNBTLQ-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000897057357 591725592 /nfs/dbraw/zinc/72/55/92/591725592.db2.gz ZQJHYGSOXWMQLV-BBWFWOEESA-N 2 0 337.508 1.743 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000895353498 591725913 /nfs/dbraw/zinc/72/59/13/591725913.db2.gz BEUGJMOGRJSXNW-HNNXBMFYSA-N 2 0 339.480 1.696 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000899991734 591860594 /nfs/dbraw/zinc/86/05/94/591860594.db2.gz YBWOEVAGVRCRGJ-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)C34CC[NH+](CC3)C4)cc2)CC1 ZINC000900192387 591935877 /nfs/dbraw/zinc/93/58/77/591935877.db2.gz NUCPQBKJBLSVFM-UHFFFAOYSA-N 2 0 328.460 1.468 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCC2([NH+](C)C)CCCC2)C1 ZINC000900228947 591956730 /nfs/dbraw/zinc/95/67/30/591956730.db2.gz VDMRROHUFSGMEA-OAHLLOKOSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1([NH3+])CC1 ZINC000902316199 591976610 /nfs/dbraw/zinc/97/66/10/591976610.db2.gz AUIKUKZLFWKELS-VIFPVBQESA-N 2 0 329.388 1.017 20 0 EDADRP C[C@H]([NH2+]CC1([NH3+])CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000902406970 591987465 /nfs/dbraw/zinc/98/74/65/591987465.db2.gz OMYVVQCTIRLOGX-GOEBONIOSA-N 2 0 333.432 1.493 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900339890 591989117 /nfs/dbraw/zinc/98/91/17/591989117.db2.gz SPPXEIZTLIMDPQ-MAUKXSAKSA-N 3 0 343.475 1.789 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC000900411010 592011140 /nfs/dbraw/zinc/01/11/40/592011140.db2.gz AMJHMJQMJXWTFE-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000900411915 592011344 /nfs/dbraw/zinc/01/13/44/592011344.db2.gz AKDKOTSIEVTMFY-IEBWSBKVSA-N 2 0 337.508 1.602 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900411240 592011415 /nfs/dbraw/zinc/01/14/15/592011415.db2.gz FRAYMTJLPJLBBK-GOSISDBHSA-N 2 0 325.497 1.556 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CNc1ccccn1 ZINC000900482063 592030823 /nfs/dbraw/zinc/03/08/23/592030823.db2.gz YPNGOQXOTXVWDN-INIZCTEOSA-N 2 0 333.480 1.368 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900473284 592035129 /nfs/dbraw/zinc/03/51/29/592035129.db2.gz DVQUSLLIMBARKV-IBGZPJMESA-N 2 0 333.476 1.553 20 0 EDADRP CC(C)N1CCO[C@@H](C(=[NH2+])NOCc2cc(C(F)(F)F)nn2C)C1 ZINC000902726819 592053240 /nfs/dbraw/zinc/05/32/40/592053240.db2.gz REJRHTBWBXIKKX-LLVKDONJSA-N 2 0 349.357 1.547 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900662094 592084690 /nfs/dbraw/zinc/08/46/90/592084690.db2.gz JXIMPNVHUNKYPL-IBGZPJMESA-N 2 0 349.475 1.802 20 0 EDADRP CC(C)CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CC[NH+](C)CC1 ZINC000900694827 592087822 /nfs/dbraw/zinc/08/78/22/592087822.db2.gz LFSCKJNKIWYBFF-GOSISDBHSA-N 2 0 325.497 1.412 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc1 ZINC000903059029 592110990 /nfs/dbraw/zinc/11/09/90/592110990.db2.gz LZIOGFQXCSPFFW-PMACEKPBSA-N 2 0 345.487 1.342 20 0 EDADRP CCCn1cc([C@H](C)N[C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110694 592121434 /nfs/dbraw/zinc/12/14/34/592121434.db2.gz BSZUROYPAKOKAI-YKJOPOJSSA-N 2 0 335.496 1.818 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H]3CCN(CCOC)C3)C2)[C@@H]1C(C)C ZINC000903116943 592123547 /nfs/dbraw/zinc/12/35/47/592123547.db2.gz BPTKHRBFCPVCJU-JKEDJMADSA-N 2 0 339.524 1.167 20 0 EDADRP CC[C@@H]1CN(CCn2cccn2)CCN1C(=O)CNc1ccccn1 ZINC000900763956 592127513 /nfs/dbraw/zinc/12/75/13/592127513.db2.gz FTRZNHUIEFIKOI-MRXNPFEDSA-N 2 0 342.447 1.313 20 0 EDADRP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903173273 592130517 /nfs/dbraw/zinc/13/05/17/592130517.db2.gz XYWTVGRTZINJNX-AYLACGIVSA-N 2 0 333.476 1.560 20 0 EDADRP CS(=O)(=O)CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CCC1 ZINC000903189309 592135978 /nfs/dbraw/zinc/13/59/78/592135978.db2.gz ANVXANHWDWBPPO-VHRNVKJDSA-N 2 0 326.506 1.949 20 0 EDADRP O=C1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@H]2CCCO2)N1 ZINC000903222319 592141491 /nfs/dbraw/zinc/14/14/91/592141491.db2.gz XYWTVGRTZINJNX-OOFTWTJGSA-N 2 0 333.476 1.560 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cn(C(C)(C)C)c(=O)[nH]c2=O)[C@H]2CCC[C@H]21 ZINC000903242513 592142700 /nfs/dbraw/zinc/14/27/00/592142700.db2.gz SATJFJLACXXTCE-QLFBSQMISA-N 2 0 334.464 1.666 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470826 592175149 /nfs/dbraw/zinc/17/51/49/592175149.db2.gz DQQHINULKZEDPN-DLBZAZTESA-N 2 0 330.476 1.280 20 0 EDADRP CCN(C(=O)C[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1)c1ccccc1 ZINC000903490649 592184377 /nfs/dbraw/zinc/18/43/77/592184377.db2.gz BTHABVGFJBRGKO-KHYOSLBOSA-N 2 0 345.443 1.252 20 0 EDADRP C[N@H+](CCNC(=O)C[C@]1(O)CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000900957070 592184589 /nfs/dbraw/zinc/18/45/89/592184589.db2.gz ZMJCONCAAQOJLF-GOSISDBHSA-N 2 0 337.439 1.221 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1ccccc1Cl)C2 ZINC000903493692 592186221 /nfs/dbraw/zinc/18/62/21/592186221.db2.gz ZUNVPHLPLUFBMG-AHIWAGSCSA-N 2 0 338.835 1.931 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903496666 592187592 /nfs/dbraw/zinc/18/75/92/592187592.db2.gz XYVFBBFPYXHGFF-IIAWOOMASA-N 2 0 349.475 1.625 20 0 EDADRP C[C@@H]1C[N@H+](CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1CC[NH3+] ZINC000903496800 592187719 /nfs/dbraw/zinc/18/77/19/592187719.db2.gz FDHMORNKJRSABV-ZIAGYGMSSA-N 2 0 326.462 1.386 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])cc1 ZINC000903550423 592214823 /nfs/dbraw/zinc/21/48/23/592214823.db2.gz QKQYMWWGRJVGGQ-QZTJIDSGSA-N 2 0 345.468 1.651 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906650699 592234487 /nfs/dbraw/zinc/23/44/87/592234487.db2.gz MBRLMXVYFFTOHP-IUODEOHRSA-N 2 0 332.448 1.418 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906658093 592240069 /nfs/dbraw/zinc/24/00/69/592240069.db2.gz VGOGIKRHGBSMMB-HZPDHXFCSA-N 2 0 346.475 1.808 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658114 592240299 /nfs/dbraw/zinc/24/02/99/592240299.db2.gz VMUHPFOEJQNTOL-HNNXBMFYSA-N 2 0 332.448 1.417 20 0 EDADRP O=C(N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000901129821 592244100 /nfs/dbraw/zinc/24/41/00/592244100.db2.gz GLJAEAXMLHKJCX-ROUUACIJSA-N 2 0 343.471 1.081 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906662480 592244696 /nfs/dbraw/zinc/24/46/96/592244696.db2.gz WVNAJHWSOZUFFK-CQSZACIVSA-N 2 0 346.475 1.619 20 0 EDADRP CC(C)(C)CC[C@H]([NH3+])CNCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000904383940 592247268 /nfs/dbraw/zinc/24/72/68/592247268.db2.gz DLQPALJJPZNWCW-HNNXBMFYSA-N 2 0 330.480 1.969 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])n2)CC1 ZINC000904457737 592266012 /nfs/dbraw/zinc/26/60/12/592266012.db2.gz QONMQLAQMUAGKT-RDTXWAMCSA-N 2 0 346.479 1.885 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901161828 592272508 /nfs/dbraw/zinc/27/25/08/592272508.db2.gz ILNXYMMTGWUOJS-TZNCUMHOSA-N 2 0 335.492 1.713 20 0 EDADRP C[N@H+](C[C@@H](O)COCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725618 592285125 /nfs/dbraw/zinc/28/51/25/592285125.db2.gz DSGMWGOMUNUUJP-RTBURBONSA-N 2 0 348.487 1.655 20 0 EDADRP CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(c2ccccc2)C1=O ZINC000903730765 592286935 /nfs/dbraw/zinc/28/69/35/592286935.db2.gz YZCTZYRZDXTHIS-MSOLQXFVSA-N 2 0 343.471 1.882 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747067 592293863 /nfs/dbraw/zinc/29/38/63/592293863.db2.gz OVHUFQILMKIRQJ-UFYCRDLUSA-N 2 0 329.488 1.964 20 0 EDADRP c1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904639590 592301579 /nfs/dbraw/zinc/30/15/79/592301579.db2.gz VAYGKFJTHGRMSF-DOMZBBRYSA-N 2 0 327.388 1.313 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903740598 592303734 /nfs/dbraw/zinc/30/37/34/592303734.db2.gz XQTCJCRHKXOBBS-QGZVFWFLSA-N 2 0 327.513 1.435 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000901273874 592308416 /nfs/dbraw/zinc/30/84/16/592308416.db2.gz NFBAVYCEFBFXQL-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc21 ZINC000906726431 592314695 /nfs/dbraw/zinc/31/46/95/592314695.db2.gz DOPPDHDPRQKHSM-SVGFKBNWSA-N 2 0 342.443 1.183 20 0 EDADRP CS(=O)(=O)CC1(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CC1 ZINC000903792761 592316009 /nfs/dbraw/zinc/31/60/09/592316009.db2.gz IRPUPFDDZOIORU-UHFFFAOYSA-N 2 0 336.501 1.804 20 0 EDADRP CCC1(N2CCOCC2)CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903775030 592318284 /nfs/dbraw/zinc/31/82/84/592318284.db2.gz FQFFAGLAESHJCG-ROUUACIJSA-N 2 0 337.508 1.332 20 0 EDADRP CC(=O)Nc1cccc2c1C[N@H+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903777392 592319321 /nfs/dbraw/zinc/31/93/21/592319321.db2.gz AVUNPHIAXQURAM-VQIMIIECSA-N 2 0 329.444 1.772 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)NC[C@H](C)Cn3ccnc3)co2)C1 ZINC000906768372 592323395 /nfs/dbraw/zinc/32/33/95/592323395.db2.gz ZNHFYCGWLGTMKZ-KBPBESRZSA-N 2 0 347.419 1.158 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C2(C[NH3+])CCC2)C1 ZINC000903813446 592330480 /nfs/dbraw/zinc/33/04/80/592330480.db2.gz GKAIHFRMAMQEMY-HZPDHXFCSA-N 2 0 343.537 1.642 20 0 EDADRP FC(F)(F)c1ccnc([C@H]2CC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000903827177 592335152 /nfs/dbraw/zinc/33/51/52/592335152.db2.gz PUQLCEXVYUIKAW-LBPRGKRZSA-N 2 0 329.370 1.190 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000904915749 592344661 /nfs/dbraw/zinc/34/46/61/592344661.db2.gz AXTUVIABWYWKNM-IEBWSBKVSA-N 2 0 332.492 1.609 20 0 EDADRP COCC[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903873214 592354150 /nfs/dbraw/zinc/35/41/50/592354150.db2.gz NDOQUSYEDGYKBY-SFHVURJKSA-N 2 0 330.476 1.995 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](C[NH+]3CCCCC3)C2)cnn1C ZINC000903898838 592369139 /nfs/dbraw/zinc/36/91/39/592369139.db2.gz QJWFLTRMXGVVIW-ROUUACIJSA-N 2 0 333.524 1.654 20 0 EDADRP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2cnnn2[C@H]2CCC[NH2+]C2)c1 ZINC000903905779 592372795 /nfs/dbraw/zinc/37/27/95/592372795.db2.gz NUBVTUVPWZKXRX-WMZOPIPTSA-N 2 0 344.438 1.488 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000908203443 592381133 /nfs/dbraw/zinc/38/11/33/592381133.db2.gz DBHGQNDSULAVHK-SJLPKXTDSA-N 2 0 337.439 1.391 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903932172 592383254 /nfs/dbraw/zinc/38/32/54/592383254.db2.gz NLRBROXQLUXBHA-SJORKVTESA-N 3 0 332.496 1.414 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C[C@@]1(O)CCOC1 ZINC000905026306 592384935 /nfs/dbraw/zinc/38/49/35/592384935.db2.gz OAZLQIFUGSQKEX-PMACEKPBSA-N 2 0 348.487 1.665 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000903933395 592385199 /nfs/dbraw/zinc/38/51/99/592385199.db2.gz QKNQEKBYQODDQA-JFIYKMOQSA-N 2 0 333.480 1.984 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935895 592386354 /nfs/dbraw/zinc/38/63/54/592386354.db2.gz VOUUMXKCBMOGGR-INIZCTEOSA-N 2 0 335.496 1.228 20 0 EDADRP Cc1csc([C@H]2CC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903937129 592387243 /nfs/dbraw/zinc/38/72/43/592387243.db2.gz BUVKTBSZNXOYLC-UONOGXRCSA-N 2 0 332.477 1.957 20 0 EDADRP COC(=O)c1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000903948218 592394264 /nfs/dbraw/zinc/39/42/64/592394264.db2.gz NQSZHJFQTYRABY-AWEZNQCLSA-N 2 0 345.443 1.029 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN(CC[NH3+])Cc2cccc(Cl)c2)cnn1C ZINC000903954421 592395471 /nfs/dbraw/zinc/39/54/71/592395471.db2.gz SKYUPKWFEMOAHK-INIZCTEOSA-N 2 0 349.910 1.960 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cc3c(cc1OC)OCO3)C2 ZINC000903977029 592398707 /nfs/dbraw/zinc/39/87/07/592398707.db2.gz HJABURFQUHNQCJ-JCGVRSQUSA-N 2 0 348.399 1.136 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](C(F)(F)F)[C@H]([NH3+])C2)cnn1C ZINC000903984381 592405033 /nfs/dbraw/zinc/40/50/33/592405033.db2.gz VFGVENNSRFXRBE-MRVWCRGKSA-N 2 0 333.402 1.057 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CN1Cc1ccccc1 ZINC000905160833 592424827 /nfs/dbraw/zinc/42/48/27/592424827.db2.gz SXHVFYRWMFGMML-NXHRZFHOSA-N 2 0 334.460 1.141 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000908317155 592430709 /nfs/dbraw/zinc/43/07/09/592430709.db2.gz WKMVMZCVHAYIEZ-INIZCTEOSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@](O)(C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(F)F ZINC000905143809 592435573 /nfs/dbraw/zinc/43/55/73/592435573.db2.gz CQOLBDXAPGXYBU-KRWDZBQOSA-N 2 0 328.403 1.749 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1(O)CCCC1 ZINC000905175515 592455492 /nfs/dbraw/zinc/45/54/92/592455492.db2.gz NBGGVBJLBCXTCT-BBWFWOEESA-N 2 0 326.481 1.010 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CCCO1 ZINC000905230959 592459363 /nfs/dbraw/zinc/45/93/63/592459363.db2.gz HQCSVVYOXYBYRI-NEWSRXKRSA-N 2 0 336.476 1.562 20 0 EDADRP CCc1ccccc1NC(=O)CN1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904336707 592474871 /nfs/dbraw/zinc/47/48/71/592474871.db2.gz JOUHWUMZCIJTEN-WOVMCDHWSA-N 2 0 330.476 1.542 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]CC2(O)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000905245451 592475540 /nfs/dbraw/zinc/47/55/40/592475540.db2.gz DYWRFHIINHYYID-UHFFFAOYSA-N 2 0 335.536 1.789 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000905396595 592527617 /nfs/dbraw/zinc/52/76/17/592527617.db2.gz PPBVFRMDRSYIMR-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O ZINC000905503252 592546123 /nfs/dbraw/zinc/54/61/23/592546123.db2.gz OESYEJQTWBDUTA-DZVNLGKHSA-N 2 0 328.497 1.089 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)c3ccccn3)C2)[C@H]1C(C)C ZINC000905503660 592546848 /nfs/dbraw/zinc/54/68/48/592546848.db2.gz RNDCBIZCDIHFNT-FQBWVUSXSA-N 2 0 333.476 1.574 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000905533847 592554220 /nfs/dbraw/zinc/55/42/20/592554220.db2.gz MCUJBUKPPXAQAO-PBHCIXSXSA-N 2 0 328.497 1.786 20 0 EDADRP Cc1ccc(-n2cc(CN(C)CCC[NH+]3CCN(C)CC3)nn2)cc1 ZINC000906290678 592781382 /nfs/dbraw/zinc/78/13/82/592781382.db2.gz QSJBKXVROOFWJT-UHFFFAOYSA-N 2 0 342.491 1.645 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(Cc3cnn(C)c3)CC2)C1 ZINC000906591724 592853556 /nfs/dbraw/zinc/85/35/56/592853556.db2.gz FQBIHEISQXQNFP-QGZVFWFLSA-N 2 0 333.480 1.186 20 0 EDADRP O=C([C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911635632 592971616 /nfs/dbraw/zinc/97/16/16/592971616.db2.gz KPMPAAMIWDPDIZ-OKZBNKHCSA-N 2 0 329.444 1.240 20 0 EDADRP C[NH2+]C1CC(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000911747239 592996328 /nfs/dbraw/zinc/99/63/28/592996328.db2.gz XDCRXGQNORKRGH-OGVSOVDVSA-N 2 0 331.416 1.532 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911779007 593003207 /nfs/dbraw/zinc/00/32/07/593003207.db2.gz XVXCFLGOSAMXOE-ZYHUDNBSSA-N 2 0 329.366 1.432 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000911799490 593012508 /nfs/dbraw/zinc/01/25/08/593012508.db2.gz YWORVEZUIMKFHN-JEBQAFNWSA-N 2 0 329.444 1.818 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2n[nH]cc2[C@H]1C ZINC000912303557 593085121 /nfs/dbraw/zinc/08/51/21/593085121.db2.gz KMLBZRZCRGSDOT-SOUVJXGZSA-N 2 0 335.496 1.464 20 0 EDADRP OC[C@H]1C=C[C@@H](N(Cc2cccs2)C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000805767493 593140893 /nfs/dbraw/zinc/14/08/93/593140893.db2.gz WTAHTXLGAXOKED-BBWFWOEESA-N 2 0 336.501 1.944 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2cccs2)CC1 ZINC000839550416 593339043 /nfs/dbraw/zinc/33/90/43/593339043.db2.gz DIINHJFMCINEMS-OAHLLOKOSA-N 2 0 339.505 1.750 20 0 EDADRP CCS(=O)(=O)CCN(C)Cc1ccc(CN2CCOCC2)cc1 ZINC000817276125 593587347 /nfs/dbraw/zinc/58/73/47/593587347.db2.gz RIUJLLZRNHWWGX-UHFFFAOYSA-N 2 0 340.489 1.385 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H](O)c1ccc(OC(F)(F)F)cc1 ZINC000817899172 593647018 /nfs/dbraw/zinc/64/70/18/593647018.db2.gz DREXRBJEHYKCBB-FBUXBERBSA-N 2 0 348.365 1.961 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000817935443 593650246 /nfs/dbraw/zinc/65/02/46/593650246.db2.gz OHUCQDHLWORAJZ-RYQLBKOJSA-N 2 0 348.487 1.950 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000818551718 593704396 /nfs/dbraw/zinc/70/43/96/593704396.db2.gz MZCKVOCPSYJPIZ-OAHLLOKOSA-N 2 0 340.431 1.254 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984923 593732388 /nfs/dbraw/zinc/73/23/88/593732388.db2.gz NABFVBQAEXKXQT-CVEARBPZSA-N 2 0 343.512 1.972 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000819054257 593736119 /nfs/dbraw/zinc/73/61/19/593736119.db2.gz PJRHZFJHEKXURP-DYVFJYSZSA-N 2 0 339.430 1.756 20 0 EDADRP Cc1ccc([C@@H](O)C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000819367304 593752067 /nfs/dbraw/zinc/75/20/67/593752067.db2.gz XECNHTMUOWPLJY-IBGZPJMESA-N 2 0 347.503 1.415 20 0 EDADRP C[C@H](CNc1ccc(N2CCC[N@H+](C)CC2)cc1)S(C)(=O)=O ZINC000819411725 593753778 /nfs/dbraw/zinc/75/37/78/593753778.db2.gz PFUMYIRJTGYLHI-CQSZACIVSA-N 2 0 325.478 1.674 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(-c4nn[nH]n4)o3)CC2)CC1 ZINC000821622319 593884117 /nfs/dbraw/zinc/88/41/17/593884117.db2.gz YZLXDWKSWCTOBB-UHFFFAOYSA-N 2 0 345.451 1.108 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2COC3(CCCCC3)O2)CC1 ZINC000820828693 593899527 /nfs/dbraw/zinc/89/95/27/593899527.db2.gz AMKPGLQQWSXBOJ-INIZCTEOSA-N 2 0 326.481 1.887 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821268375 594003356 /nfs/dbraw/zinc/00/33/56/594003356.db2.gz VRKULQQNZHQUTJ-UHFFFAOYSA-N 2 0 335.481 1.045 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)c(F)c1 ZINC000824412612 594005643 /nfs/dbraw/zinc/00/56/43/594005643.db2.gz BVXUDSJWYFIPFD-STQMWFEESA-N 2 0 347.442 1.292 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2CC[N@@H+]2C2CCCC2)ccc1=O ZINC000821318469 594015034 /nfs/dbraw/zinc/01/50/34/594015034.db2.gz ADGORZXLBWAXOA-MRXNPFEDSA-N 2 0 332.448 1.365 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824590821 594044123 /nfs/dbraw/zinc/04/41/23/594044123.db2.gz DLROIJOTXBQTTM-CQSZACIVSA-N 2 0 329.452 1.155 20 0 EDADRP COc1cc(-c2noc([C@H]3C[NH2+]CCO3)n2)ccc1OCC[NH+](C)C ZINC000822925536 594122658 /nfs/dbraw/zinc/12/26/58/594122658.db2.gz DHSUXDCOENGCDO-OAHLLOKOSA-N 2 0 348.403 1.347 20 0 EDADRP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC000826832629 594584860 /nfs/dbraw/zinc/58/48/60/594584860.db2.gz SADXOFGLIAVVKO-RDJZCZTQSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@H](C(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000827322452 594661101 /nfs/dbraw/zinc/66/11/01/594661101.db2.gz ZSYCHDOUAJXUFU-ATZDWAIDSA-N 2 0 327.472 1.986 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCCON2C(=O)c3ccccc3C2=O)CC1 ZINC000827425581 594670578 /nfs/dbraw/zinc/67/05/78/594670578.db2.gz KXWYWIIBZIQLPY-UHFFFAOYSA-N 2 0 345.443 1.878 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841847373 594964773 /nfs/dbraw/zinc/96/47/73/594964773.db2.gz VTYINCNAPFMITG-BLLLJJGKSA-N 2 0 331.416 1.674 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CCCO1 ZINC000841854679 594966069 /nfs/dbraw/zinc/96/60/69/594966069.db2.gz FFLYTSGVJXABFG-OFLPRAFFSA-N 2 0 338.496 1.543 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841927232 594983275 /nfs/dbraw/zinc/98/32/75/594983275.db2.gz HCZKIOWBPBSBGY-MSOLQXFVSA-N 2 0 330.476 1.956 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355330 595085060 /nfs/dbraw/zinc/08/50/60/595085060.db2.gz RUJPEVYVIRSUQG-DAWZGUTISA-N 3 0 332.492 1.607 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc(Cl)n1 ZINC000834317036 595092585 /nfs/dbraw/zinc/09/25/85/595092585.db2.gz OLMRFFRFNIODOC-RTXFEEFZSA-N 2 0 326.828 1.008 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843388836 595097204 /nfs/dbraw/zinc/09/72/04/595097204.db2.gz YSPHLLATGGKHHF-CHWSQXEVSA-N 2 0 343.431 1.529 20 0 EDADRP C[C@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000843387907 595097318 /nfs/dbraw/zinc/09/73/18/595097318.db2.gz YAKPFVHBOIUBRO-UPJWGTAASA-N 2 0 343.431 1.527 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCc2cccnc2-n2ccnc2)C1 ZINC000837492170 595124069 /nfs/dbraw/zinc/12/40/69/595124069.db2.gz XAUFPZRFQSGIND-OAHLLOKOSA-N 2 0 342.447 1.798 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000846176841 595165372 /nfs/dbraw/zinc/16/53/72/595165372.db2.gz IMTMKWNFJHNXIY-GOSISDBHSA-N 2 0 342.418 1.971 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)Nc3ccc(O)cc3)C2)C1 ZINC000846226489 595179270 /nfs/dbraw/zinc/17/92/70/595179270.db2.gz ZMNPKMOJUPEVAR-CPUCHLNUSA-N 2 0 333.432 1.549 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CCC(C)([NH+]3CCC3)CC2)n1 ZINC000834775813 595209075 /nfs/dbraw/zinc/20/90/75/595209075.db2.gz BTLDOGWNJNDBOU-UHFFFAOYSA-N 2 0 333.480 1.582 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000844166903 595288786 /nfs/dbraw/zinc/28/87/86/595288786.db2.gz VMDOSJBECMLEKR-SFHVURJKSA-N 2 0 331.460 1.536 20 0 EDADRP C[C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170076 595290150 /nfs/dbraw/zinc/29/01/50/595290150.db2.gz GOTAWHPNZWSLAK-MAUKXSAKSA-N 2 0 337.508 1.772 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000844169982 595290268 /nfs/dbraw/zinc/29/02/68/595290268.db2.gz DNUVFGINLIRVAX-QZTJIDSGSA-N 2 0 331.460 1.489 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170663 595290478 /nfs/dbraw/zinc/29/04/78/595290478.db2.gz LBNSOIMAHRNNQI-MSOLQXFVSA-N 2 0 331.460 1.316 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000843125929 595293181 /nfs/dbraw/zinc/29/31/81/595293181.db2.gz CQGXDDARQLDTHB-SJORKVTESA-N 2 0 331.460 1.762 20 0 EDADRP C[C@@H](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000844189441 595297374 /nfs/dbraw/zinc/29/73/74/595297374.db2.gz MILJLQIZNJXJGC-FUHWJXTLSA-N 2 0 333.476 1.782 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844189542 595297483 /nfs/dbraw/zinc/29/74/83/595297483.db2.gz NEZNNFGELBMSFG-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CO[C@H]3CCC[NH2+]C3)c2)CC1 ZINC000844191598 595298400 /nfs/dbraw/zinc/29/84/00/595298400.db2.gz YXUIGAAVOOQZAG-SFHVURJKSA-N 2 0 346.475 1.141 20 0 EDADRP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CC)CC[C@H]1NC(=O)OC(C)(C)C ZINC000846836329 595324003 /nfs/dbraw/zinc/32/40/03/595324003.db2.gz PFZZRXGIRZPJRM-OWCLPIDISA-N 2 0 343.512 1.924 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(CC)C(=O)O2)[C@@H](C)C1 ZINC000846856778 595327686 /nfs/dbraw/zinc/32/76/86/595327686.db2.gz GWWHFCSUHVIBHJ-XHSDSOJGSA-N 2 0 327.469 1.554 20 0 EDADRP CCc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000849072751 595477902 /nfs/dbraw/zinc/47/79/02/595477902.db2.gz DFMYDECFOAHAPY-HNNXBMFYSA-N 2 0 331.464 1.773 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nnc(-c2ccccc2)[nH]1 ZINC000849074421 595478240 /nfs/dbraw/zinc/47/82/40/595478240.db2.gz XVEUVXBFGBNKJZ-CQSZACIVSA-N 2 0 327.436 1.570 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000852796103 595547320 /nfs/dbraw/zinc/54/73/20/595547320.db2.gz NPPBREDZUUFVEZ-HIFRSBDPSA-N 2 0 349.431 1.286 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849489034 595548825 /nfs/dbraw/zinc/54/88/25/595548825.db2.gz QPTYNXLJVMQPDK-QZTJIDSGSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000849571402 595574977 /nfs/dbraw/zinc/57/49/77/595574977.db2.gz IMUGVZKWIGQBSW-OHFALNGGSA-N 2 0 333.480 1.006 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857967 595579016 /nfs/dbraw/zinc/57/90/16/595579016.db2.gz LKJCNGQKMJLYSI-YOEHRIQHSA-N 2 0 344.459 1.781 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000852858346 595580302 /nfs/dbraw/zinc/58/03/02/595580302.db2.gz ZLGUHZJVPPBADN-QGZVFWFLSA-N 2 0 343.471 1.706 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000852858345 595580306 /nfs/dbraw/zinc/58/03/06/595580306.db2.gz ZLGUHZJVPPBADN-KRWDZBQOSA-N 2 0 343.471 1.706 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849594034 595585523 /nfs/dbraw/zinc/58/55/23/595585523.db2.gz SFPSJUFHAGISEF-CGTJXYLNSA-N 2 0 349.523 1.692 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)C2=NO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000852888020 595599554 /nfs/dbraw/zinc/59/95/54/595599554.db2.gz GYLHJKKHAKZHEP-HYVNUMGLSA-N 2 0 344.459 1.507 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000852906536 595608926 /nfs/dbraw/zinc/60/89/26/595608926.db2.gz HPWMUPMQAGURDI-ULQDDVLXSA-N 2 0 335.423 1.156 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000853030211 595646411 /nfs/dbraw/zinc/64/64/11/595646411.db2.gz SDMLVLQXVRQZOK-OAHLLOKOSA-N 2 0 342.553 1.292 20 0 EDADRP COC(=O)N1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000850294831 595799461 /nfs/dbraw/zinc/79/94/61/595799461.db2.gz MJCWGCNLNDPSJI-UHFFFAOYSA-N 2 0 329.404 1.835 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000851667447 595876918 /nfs/dbraw/zinc/87/69/18/595876918.db2.gz PBFFEHAVBAVFBA-UONOGXRCSA-N 2 0 330.423 1.405 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@@](C)=O)C2)ccn1 ZINC000856584917 596022548 /nfs/dbraw/zinc/02/25/48/596022548.db2.gz URFOFUXPVJHEPT-OPAMFIHVSA-N 2 0 325.478 1.365 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861630996 596052395 /nfs/dbraw/zinc/05/23/95/596052395.db2.gz XHYJYSZJXMGVNX-KVSKMBFKSA-N 2 0 330.476 1.948 20 0 EDADRP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861712665 596076803 /nfs/dbraw/zinc/07/68/03/596076803.db2.gz RJEZXBZNIPHRNM-NXHRZFHOSA-N 2 0 335.492 1.309 20 0 EDADRP COCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000866673610 596288109 /nfs/dbraw/zinc/28/81/09/596288109.db2.gz YEURJLLUMJDTSE-PMACEKPBSA-N 3 0 349.519 1.208 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC1 ZINC000866705851 596301909 /nfs/dbraw/zinc/30/19/09/596301909.db2.gz CQQVJKKFIYBSPR-IBGZPJMESA-N 2 0 338.540 1.672 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC000866711051 596303787 /nfs/dbraw/zinc/30/37/87/596303787.db2.gz AOLPVBPBSSQVDT-KXNHARMFSA-N 2 0 334.247 1.437 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000870866441 596382408 /nfs/dbraw/zinc/38/24/08/596382408.db2.gz VYZRAWWBKNXQBS-WGSAOQKQSA-N 2 0 344.503 1.568 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC[C@@H]([NH3+])CC3)cc2)CC1 ZINC000870866440 596382773 /nfs/dbraw/zinc/38/27/73/596382773.db2.gz VYZRAWWBKNXQBS-KDURUIRLSA-N 2 0 344.503 1.568 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000870865899 596382896 /nfs/dbraw/zinc/38/28/96/596382896.db2.gz NFATTXOXIFGWSM-UHFFFAOYSA-N 2 0 342.487 1.905 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CC[C@H]([NH3+])CC3)ccc2oc1=O ZINC000870875689 596386047 /nfs/dbraw/zinc/38/60/47/596386047.db2.gz GZMDICBLAOJIOG-JOCQHMNTSA-N 2 0 346.431 1.612 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870883815 596389030 /nfs/dbraw/zinc/38/90/30/596389030.db2.gz JBMHEGFQQCQJFB-CQSZACIVSA-N 2 0 334.489 1.824 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C3CC[NH2+]CC3)cc2F)CC1 ZINC000871012317 596438307 /nfs/dbraw/zinc/43/83/07/596438307.db2.gz PBUBMRXPCFLEIB-UHFFFAOYSA-N 2 0 334.439 1.906 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NCCc2cccnc2)C[C@H]1C[NH+](C)C ZINC000865245865 596522459 /nfs/dbraw/zinc/52/24/59/596522459.db2.gz RYCVEICYGYKOBJ-IAGOWNOFSA-N 2 0 349.548 1.170 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863553606 596615807 /nfs/dbraw/zinc/61/58/07/596615807.db2.gz GMWPRUVNAPFQAI-CABCVRRESA-N 2 0 327.469 1.336 20 0 EDADRP CCOc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863642557 596641338 /nfs/dbraw/zinc/64/13/38/596641338.db2.gz SDYUXBIQPOUKQU-MSOLQXFVSA-N 2 0 345.443 1.842 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)nc3)CC[C@H]21 ZINC000868019827 596656907 /nfs/dbraw/zinc/65/69/07/596656907.db2.gz DDEQYAWQTVAAAU-JKSUJKDBSA-N 2 0 340.431 1.503 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865773218 596678235 /nfs/dbraw/zinc/67/82/35/596678235.db2.gz JXHPBRWZJRSZQN-SJORKVTESA-N 2 0 342.443 1.455 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc(F)c(C(F)F)c1 ZINC000871806818 596704774 /nfs/dbraw/zinc/70/47/74/596704774.db2.gz HETUPBHVYUWSNO-UHFFFAOYSA-N 2 0 339.383 1.452 20 0 EDADRP CN1CCN(C(=O)/C=C/CN2CCOCC2)C[C@H]1Cc1ccccc1 ZINC000868156173 596704762 /nfs/dbraw/zinc/70/47/62/596704762.db2.gz BFXUSUSZAOXTKX-MTCRFPMVSA-N 2 0 343.471 1.260 20 0 EDADRP C[C@@H](Oc1ccccn1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017014 596708839 /nfs/dbraw/zinc/70/88/39/596708839.db2.gz FLIAGMAZWYHXSB-BZUAXINKSA-N 2 0 334.464 1.047 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc(C=O)cc2)C[C@H]1C[NH+](C)C ZINC000870016643 596709013 /nfs/dbraw/zinc/70/90/13/596709013.db2.gz SGTZYEROWJWJMZ-PSUNPMBVSA-N 2 0 343.471 1.710 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccccn3)CC2)C[C@H]1C[NH+](C)C ZINC000870018195 596710080 /nfs/dbraw/zinc/71/00/80/596710080.db2.gz WLJIKKVQSFYQCG-HZPDHXFCSA-N 2 0 330.476 1.311 20 0 EDADRP CCOC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCC1 ZINC000870018782 596710878 /nfs/dbraw/zinc/71/08/78/596710878.db2.gz WPACLXRUGJZEEI-HZPDHXFCSA-N 2 0 325.497 1.534 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3C4CCC3(C[NH3+])CC4)cn2)CC1 ZINC000868190156 596716808 /nfs/dbraw/zinc/71/68/08/596716808.db2.gz IEDJZOSPDKLMBA-UHFFFAOYSA-N 2 0 332.452 1.637 20 0 EDADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000863940422 596721608 /nfs/dbraw/zinc/72/16/08/596721608.db2.gz DQBOZBIUOOJEQP-ZWKOTPCHSA-N 2 0 331.460 1.292 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2cc(=O)[nH]c3cccnc32)C[C@H]1C[NH+](C)C ZINC000866010495 596757015 /nfs/dbraw/zinc/75/70/15/596757015.db2.gz KVGJORMLEBLNLN-ZIAGYGMSSA-N 2 0 329.448 1.511 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000868382760 596814425 /nfs/dbraw/zinc/81/44/25/596814425.db2.gz KLHGNUBRYGFXCP-JKSUJKDBSA-N 2 0 349.523 1.033 20 0 EDADRP C[N@H+](CCCCCC[NH3+])CC(=O)NC(=O)NCc1cccs1 ZINC000872155201 596815902 /nfs/dbraw/zinc/81/59/02/596815902.db2.gz NMFQATQUAIJLKP-UHFFFAOYSA-N 2 0 326.466 1.525 20 0 EDADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158248 596816536 /nfs/dbraw/zinc/81/65/36/596816536.db2.gz UJHFSHNEXDHSSZ-GOEBONIOSA-N 2 0 331.526 1.545 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000866413952 596879999 /nfs/dbraw/zinc/87/99/99/596879999.db2.gz XJIHADMRBZWDPU-JSGCOSHPSA-N 2 0 333.432 1.513 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2nccn21 ZINC000875644506 596931693 /nfs/dbraw/zinc/93/16/93/596931693.db2.gz GFHLZBSBZMILMT-FPCVCCKLSA-N 2 0 348.495 1.270 20 0 EDADRP C[C@H](COCC1CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875698015 596951262 /nfs/dbraw/zinc/95/12/62/596951262.db2.gz STJOLHRKMQXNFJ-DJIMGWMZSA-N 2 0 340.512 1.182 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875726899 596963889 /nfs/dbraw/zinc/96/38/89/596963889.db2.gz XXIRBICFUFLYPK-UHFFFAOYSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875743373 596970057 /nfs/dbraw/zinc/97/00/57/596970057.db2.gz QUAOXHBVKYLPKQ-HOTGVXAUSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C[N@@H+]1C ZINC000875810181 596993353 /nfs/dbraw/zinc/99/33/53/596993353.db2.gz XYDVTTWABAJNDM-FZMWSMFESA-N 2 0 347.507 1.395 20 0 EDADRP COCCC1(NC(=O)NCC2([NH+](C)C)CCCCC2)CC[NH2+]CC1 ZINC000874431188 597075143 /nfs/dbraw/zinc/07/51/43/597075143.db2.gz JTKWYSYMTQHQBT-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP C[C@@H](CN1CCOCC1)N(C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109633 597093723 /nfs/dbraw/zinc/09/37/23/597093723.db2.gz RGJAHIDEQSVQFX-HJOIGYKYSA-N 2 0 340.512 1.611 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1ccc(O)c(Cl)c1 ZINC000876399937 597193511 /nfs/dbraw/zinc/19/35/11/597193511.db2.gz UGYVJGGWDHNJKF-UHFFFAOYSA-N 2 0 342.871 1.728 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000873112743 597200264 /nfs/dbraw/zinc/20/02/64/597200264.db2.gz ZVFHDQLKIVADRY-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP COc1ccc(OC)c([C@H](O)[C@@H](C)[NH2+]Cc2cnc(N(C)C)n2C)c1 ZINC000873193446 597223596 /nfs/dbraw/zinc/22/35/96/597223596.db2.gz CFYREVCGVXRBDY-SJKOYZFVSA-N 2 0 348.447 1.715 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc(CC[NH3+])cc2)c1 ZINC000876518089 597227858 /nfs/dbraw/zinc/22/78/58/597227858.db2.gz MFQJWFNBHVMODF-SFHVURJKSA-N 2 0 327.428 1.383 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000873296621 597250182 /nfs/dbraw/zinc/25/01/82/597250182.db2.gz KAMCZZQQHJFKRO-QAPCUYQASA-N 2 0 345.487 1.612 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000873312469 597253615 /nfs/dbraw/zinc/25/36/15/597253615.db2.gz PHLLPXDIAZSKIJ-KBXCAEBGSA-N 2 0 346.479 1.531 20 0 EDADRP Cc1nc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cs1 ZINC000875035069 597253661 /nfs/dbraw/zinc/25/36/61/597253661.db2.gz WOFZCOLXPZJRCM-ZIAGYGMSSA-N 2 0 339.509 1.332 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000876709160 597296871 /nfs/dbraw/zinc/29/68/71/597296871.db2.gz KSDLUZVXTSCWBV-CYBMUJFWSA-N 2 0 333.461 1.507 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)Cc1ccccc1 ZINC000875140448 597299460 /nfs/dbraw/zinc/29/94/60/597299460.db2.gz QGADQCDKYHBRDD-KRWDZBQOSA-N 2 0 348.491 1.263 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876712097 597299631 /nfs/dbraw/zinc/29/96/31/597299631.db2.gz BOPZDUPMHXPFSD-HNNXBMFYSA-N 2 0 326.510 1.307 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2C[C@@H]2c2ccccc2)C[C@H]1C[NH+](C)C ZINC000875153591 597305309 /nfs/dbraw/zinc/30/53/09/597305309.db2.gz YKHCQRBGHSHGET-NCXUSEDFSA-N 2 0 344.503 1.923 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875166809 597310975 /nfs/dbraw/zinc/31/09/75/597310975.db2.gz HTTCHWKESYIGIZ-KSTDHSDQSA-N 2 0 340.512 1.212 20 0 EDADRP CN(C(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876742012 597316466 /nfs/dbraw/zinc/31/64/66/597316466.db2.gz MNKSGUKBRDGMQJ-ZWKOTPCHSA-N 2 0 344.503 1.920 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000876741977 597316611 /nfs/dbraw/zinc/31/66/11/597316611.db2.gz XRZVSWNESMFXCJ-LCCNCEEVSA-N 2 0 327.472 1.961 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC1 ZINC000876746257 597318891 /nfs/dbraw/zinc/31/88/91/597318891.db2.gz PVPKNOOIZHWMMT-WFASDCNBSA-N 2 0 338.402 1.971 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)CCCC2)CC1 ZINC000876760431 597326948 /nfs/dbraw/zinc/32/69/48/597326948.db2.gz UPRLNZKMYCOJMX-CVEARBPZSA-N 2 0 337.508 1.900 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876763147 597328785 /nfs/dbraw/zinc/32/87/85/597328785.db2.gz OAQQCBKMBGFPQS-BZSNNMDCSA-N 2 0 333.451 1.915 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876770799 597332618 /nfs/dbraw/zinc/33/26/18/597332618.db2.gz KKLIEJFCMFRYEI-AWEZNQCLSA-N 2 0 347.381 1.790 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876771797 597333285 /nfs/dbraw/zinc/33/32/85/597333285.db2.gz ZAHJDCJODUVAOR-IAGOWNOFSA-N 2 0 345.491 1.674 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775259 597335916 /nfs/dbraw/zinc/33/59/16/597335916.db2.gz RYGGLGSTGSYPHI-JVESIEDESA-N 2 0 349.519 1.797 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)nc2)CC1 ZINC000876785419 597339630 /nfs/dbraw/zinc/33/96/30/597339630.db2.gz YGKWDSMGOVIXPZ-SUMWQHHRSA-N 2 0 349.454 1.498 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000876847421 597358013 /nfs/dbraw/zinc/35/80/13/597358013.db2.gz KOMDJCQYKMNZDS-MOPGFXCFSA-N 2 0 339.439 1.568 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876850244 597358850 /nfs/dbraw/zinc/35/88/50/597358850.db2.gz MIKYIGFLGYCIPB-HOCLYGCPSA-N 2 0 325.403 1.664 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000876857580 597360822 /nfs/dbraw/zinc/36/08/22/597360822.db2.gz SKGNPQRSCYDQAU-BNOWGMLFSA-N 2 0 327.350 1.916 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876876331 597365468 /nfs/dbraw/zinc/36/54/68/597365468.db2.gz NWQZRMKSAKBDND-WBMJQRKESA-N 2 0 343.393 1.803 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876924408 597386926 /nfs/dbraw/zinc/38/69/26/597386926.db2.gz RRKXFPNREXMXFQ-LZLYRXPVSA-N 2 0 333.863 1.998 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000876942020 597391287 /nfs/dbraw/zinc/39/12/87/597391287.db2.gz OLLBPGSHAUGJFR-CSLYMUCUSA-N 2 0 331.464 1.460 20 0 EDADRP O=C(/C=C\CN1CCOCC1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000876968086 597400665 /nfs/dbraw/zinc/40/06/65/597400665.db2.gz DWBAJFWANPKJQX-NLVOMGJBSA-N 2 0 331.416 1.174 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000877038212 597418551 /nfs/dbraw/zinc/41/85/51/597418551.db2.gz JZTPGKDOAHRVFZ-QZTJIDSGSA-N 2 0 343.471 1.393 20 0 EDADRP Cc1cnccc1CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875424615 597423080 /nfs/dbraw/zinc/42/30/80/597423080.db2.gz MBUBYCCJVVMZQI-QZTJIDSGSA-N 2 0 347.507 1.313 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000877056928 597423850 /nfs/dbraw/zinc/42/38/50/597423850.db2.gz RKDRWXUMGIXZPV-SFHVURJKSA-N 2 0 345.487 1.722 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000877143257 597442079 /nfs/dbraw/zinc/44/20/79/597442079.db2.gz JJLJXRJVDJMXRO-IRXDYDNUSA-N 2 0 344.459 1.651 20 0 EDADRP COC1(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000877225985 597467202 /nfs/dbraw/zinc/46/72/02/597467202.db2.gz HSMCWBIFGAAYMP-UHFFFAOYSA-N 2 0 345.487 1.535 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)C2CC[NH2+]CC2)C1 ZINC000877231492 597470732 /nfs/dbraw/zinc/47/07/32/597470732.db2.gz MOGVCSWHOAIGIM-GOSISDBHSA-N 2 0 331.460 1.312 20 0 EDADRP C[C@@]12CN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352732 597498709 /nfs/dbraw/zinc/49/87/09/597498709.db2.gz JBWZRSYFFMUVNG-CGBFIWBNSA-N 2 0 345.462 1.915 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000877355106 597499402 /nfs/dbraw/zinc/49/94/02/597499402.db2.gz GSXANYWBYQBJPU-BNOWGMLFSA-N 2 0 327.350 1.817 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1ccccc1CC1CC[NH2+]CC1)C2 ZINC000877373727 597504039 /nfs/dbraw/zinc/50/40/39/597504039.db2.gz GUIDWMBFYLNTEJ-FXAWDEMLSA-N 2 0 327.472 1.910 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H]1CCC2(CCOCC2)O1 ZINC000878288017 597592763 /nfs/dbraw/zinc/59/27/63/597592763.db2.gz LUQOZVNRMHZAAD-XDNAFOTISA-N 2 0 338.492 1.898 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(C(N)=O)cc1 ZINC000878287741 597592789 /nfs/dbraw/zinc/59/27/89/597592789.db2.gz IKOSSLLBXNKLRT-KURKYZTESA-N 2 0 331.460 1.512 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000881439720 597619698 /nfs/dbraw/zinc/61/96/98/597619698.db2.gz QEJITNZERWWWSJ-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@H](CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1)N1CC[C@@H]2[C@H](CC[NH+]2C)C1 ZINC000879578497 597640940 /nfs/dbraw/zinc/64/09/40/597640940.db2.gz TXGKMNBOGZNOIJ-LASHMREHSA-N 2 0 334.552 1.817 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@]3(C2)CCc2ccccc2O3)CC1 ZINC000878625520 597659591 /nfs/dbraw/zinc/65/95/91/597659591.db2.gz WEIGDGTYGJMOCV-HXUWFJFHSA-N 2 0 343.471 1.667 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C(C)(C)O)CC1)c1ccccc1 ZINC000879628423 597664578 /nfs/dbraw/zinc/66/45/78/597664578.db2.gz RWAIEPUZRCXGGK-SFHVURJKSA-N 2 0 347.503 1.888 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1c1cc[nH+]cc1 ZINC000881632917 597666045 /nfs/dbraw/zinc/66/60/45/597666045.db2.gz GHVKEGCPCIYBNE-OAHLLOKOSA-N 2 0 328.460 1.993 20 0 EDADRP OCC1(C[C@H](O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000878747650 597698684 /nfs/dbraw/zinc/69/86/84/597698684.db2.gz NGKFIUVXPDBJHE-SFHVURJKSA-N 2 0 333.476 1.897 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000131788841 597741070 /nfs/dbraw/zinc/74/10/70/597741070.db2.gz OQOILFPXCDTESK-MRXNPFEDSA-N 2 0 333.432 1.922 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000883437200 597746715 /nfs/dbraw/zinc/74/67/15/597746715.db2.gz LXTGNNZDDLPHPX-YESZJQIVSA-N 2 0 349.475 1.735 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[NH2+]CCC34CCC4)n2)CC1 ZINC000883560427 597803153 /nfs/dbraw/zinc/80/31/53/597803153.db2.gz CGPAKHNFBVWMMV-UHFFFAOYSA-N 2 0 346.479 1.900 20 0 EDADRP COCC[N@H+](C[C@@H]1CC2(CO1)CCOCC2)CC1CC[NH+](C)CC1 ZINC000879126975 597827416 /nfs/dbraw/zinc/82/74/16/597827416.db2.gz PMKWEJGZPQXTDN-SFHVURJKSA-N 2 0 340.508 1.862 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000879221279 597855289 /nfs/dbraw/zinc/85/52/89/597855289.db2.gz KECMNKMERUIMNS-RBSFLKMASA-N 2 0 327.469 1.431 20 0 EDADRP CC(C)CCOCCNC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879247650 597864239 /nfs/dbraw/zinc/86/42/39/597864239.db2.gz FRWDEDQCVNSBAW-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884185098 598017780 /nfs/dbraw/zinc/01/77/80/598017780.db2.gz KZZOXPQIGKSPTB-INIZCTEOSA-N 2 0 331.464 1.048 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884190124 598020759 /nfs/dbraw/zinc/02/07/59/598020759.db2.gz WUKYAOOCMINCTB-HNNXBMFYSA-N 2 0 331.464 1.095 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[NH2+]CC2(C)C)ccc1OCC[NH+](C)C ZINC000884195616 598023118 /nfs/dbraw/zinc/02/31/18/598023118.db2.gz SXLKTMRJVMQPQO-OAHLLOKOSA-N 2 0 349.475 1.497 20 0 EDADRP CC1([NH3+])CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884266999 598048535 /nfs/dbraw/zinc/04/85/35/598048535.db2.gz PGVCVDORTHKRPY-GFCCVEGCSA-N 2 0 326.238 1.789 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000884328299 598069489 /nfs/dbraw/zinc/06/94/89/598069489.db2.gz NMJRVYGCRNQMEC-WBVHZDCISA-N 2 0 331.460 1.841 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914069729 695065334 /nfs/dbraw/zinc/06/53/34/695065334.db2.gz ZITFCMQGYFRFIA-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC000995015565 699977193 /nfs/dbraw/zinc/97/71/93/699977193.db2.gz QUURISGBYXGLCU-QZTJIDSGSA-N 2 0 349.519 1.916 20 0 EDADRP O=S(=O)(C[C@@]12CC[N@H+](C1)CCC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000914169524 695255669 /nfs/dbraw/zinc/25/56/69/695255669.db2.gz VJYAYYRYAMMDJS-IRXDYDNUSA-N 2 0 341.521 1.220 20 0 EDADRP Cn1ccnc1CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@H]2C1 ZINC000992758740 695289307 /nfs/dbraw/zinc/28/93/07/695289307.db2.gz SNPVOODRTXZZEZ-ULQDDVLXSA-N 2 0 330.476 1.979 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cccnc3)[C@H]2C1 ZINC000992910562 695443608 /nfs/dbraw/zinc/44/36/08/695443608.db2.gz UZEUEZCJTWOXQX-FHWLQOOXSA-N 2 0 342.487 1.894 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCOCC3)[C@H]2C1 ZINC000992922356 695455532 /nfs/dbraw/zinc/45/55/32/695455532.db2.gz TUWMLMOQIXCKOL-FHWLQOOXSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031859018 700026282 /nfs/dbraw/zinc/02/62/82/700026282.db2.gz LFZDZEWUHPXCSX-KGXSXCIVSA-N 2 0 345.487 1.398 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC000993316785 695959839 /nfs/dbraw/zinc/95/98/39/695959839.db2.gz RYIIALADPGANML-HZPDHXFCSA-N 2 0 325.497 1.866 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000940008288 700109889 /nfs/dbraw/zinc/10/98/89/700109889.db2.gz HPNSMXSVTYHHIR-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000940008542 700110288 /nfs/dbraw/zinc/11/02/88/700110288.db2.gz SAUQMKFXCYTGHA-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH+]2C)C1 ZINC000925435404 696971570 /nfs/dbraw/zinc/97/15/70/696971570.db2.gz QEOJIYHDACYHTN-ZWKOTPCHSA-N 2 0 330.476 1.649 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000918009482 697119417 /nfs/dbraw/zinc/11/94/17/697119417.db2.gz FRXDVJZKIIDJMB-CVEARBPZSA-N 2 0 329.510 1.124 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000918894977 697221476 /nfs/dbraw/zinc/22/14/76/697221476.db2.gz ZDYNPRRVEMSUAU-NVXWUHKLSA-N 2 0 331.464 1.610 20 0 EDADRP Cc1cc(C)cc(OCC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001031577796 697274169 /nfs/dbraw/zinc/27/41/69/697274169.db2.gz PVPQVNLWUQQBJP-IBGZPJMESA-N 2 0 345.487 1.824 20 0 EDADRP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](C[C@@H](C)OC)CC2)[NH+](C)C ZINC001040852697 697378230 /nfs/dbraw/zinc/37/82/30/697378230.db2.gz BPBAYDOHDJJASK-CVEARBPZSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]CCS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000920091884 697394302 /nfs/dbraw/zinc/39/43/02/697394302.db2.gz SFQZJCLIJKLFJF-GASCZTMLSA-N 2 0 340.489 1.430 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668598 697461271 /nfs/dbraw/zinc/46/12/71/697461271.db2.gz KOTXOVHMAFMCHZ-SJORKVTESA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675294 697485117 /nfs/dbraw/zinc/48/51/17/697485117.db2.gz BOEDLXLGWQYFGN-RBUKOAKNSA-N 2 0 349.519 1.317 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2C[NH+](CCCC3CCOCC3)C2)CC[N@@H+]1C ZINC001031682170 697502912 /nfs/dbraw/zinc/50/29/12/697502912.db2.gz XFBVQWSTSGZYMK-CRAIPNDOSA-N 2 0 337.508 1.581 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000921368481 697574764 /nfs/dbraw/zinc/57/47/64/697574764.db2.gz PESYSHUEVGITIJ-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001031714420 697741604 /nfs/dbraw/zinc/74/16/04/697741604.db2.gz IIGQAEMXBCVDAH-KRWDZBQOSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000940115389 700230493 /nfs/dbraw/zinc/23/04/93/700230493.db2.gz KGLFQDRUVNGBPZ-KRWDZBQOSA-N 2 0 346.475 1.796 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000940123640 700256539 /nfs/dbraw/zinc/25/65/39/700256539.db2.gz PRLUDHLTLOFXNV-LSDHHAIUSA-N 2 0 348.495 1.314 20 0 EDADRP CCCCCC[C@H](C)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000181044610 699088653 /nfs/dbraw/zinc/08/86/53/699088653.db2.gz MPXMAOXUZXRELF-IRXDYDNUSA-N 2 0 325.497 1.868 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)ccn1 ZINC000939054110 699114629 /nfs/dbraw/zinc/11/46/29/699114629.db2.gz FBSLAGDVDIDVOP-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCCC2CCOCC2)C1 ZINC001031776362 699154472 /nfs/dbraw/zinc/15/44/72/699154472.db2.gz JBGYOHYJBDOOHT-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)c(C)s1 ZINC000939535628 699676537 /nfs/dbraw/zinc/67/65/37/699676537.db2.gz RALWYXZFSOPLPY-ZBEGNZNMSA-N 2 0 347.488 1.673 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939544560 699686153 /nfs/dbraw/zinc/68/61/53/699686153.db2.gz KQXJGNJLGMKYIN-CXAGYDPISA-N 2 0 349.425 1.997 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C)cc1 ZINC000939622862 699760000 /nfs/dbraw/zinc/76/00/00/699760000.db2.gz OQVIMHJTGOBJBR-UGSOOPFHSA-N 2 0 342.443 1.906 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941677133 701615790 /nfs/dbraw/zinc/61/57/90/701615790.db2.gz LUZMKQMRZGOYQQ-IAGOWNOFSA-N 2 0 336.524 1.488 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)C1 ZINC000941675321 701615070 /nfs/dbraw/zinc/61/50/70/701615070.db2.gz ZCWSAKHSXKNZQR-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939753340 699902864 /nfs/dbraw/zinc/90/28/64/699902864.db2.gz FGCLQOJCOZQOBG-CZUORRHYSA-N 2 0 337.414 1.997 20 0 EDADRP CCC(CC)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941666130 701620045 /nfs/dbraw/zinc/62/00/45/701620045.db2.gz NGTQGUXTIPCLKT-QGZVFWFLSA-N 2 0 336.524 1.203 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939755519 699906482 /nfs/dbraw/zinc/90/64/82/699906482.db2.gz QMQSENVUISLYFK-CJNGLKHVSA-N 2 0 334.464 1.578 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001032119656 701620564 /nfs/dbraw/zinc/62/05/64/701620564.db2.gz XWVYUXRVQGODLH-SJLPKXTDSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nc1 ZINC000940153991 700283651 /nfs/dbraw/zinc/28/36/51/700283651.db2.gz JUMAWBFZCWQXIH-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)CC1 ZINC000940296028 700467836 /nfs/dbraw/zinc/46/78/36/700467836.db2.gz CUSKNCRJSPCPEC-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940327582 700504855 /nfs/dbraw/zinc/50/48/55/700504855.db2.gz JWPDOOGESLKROS-ZFWWWQNUSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000940329148 700508046 /nfs/dbraw/zinc/50/80/46/700508046.db2.gz QAWKAXQVNWTTLZ-WMLDXEAASA-N 2 0 347.507 1.397 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1)[NH+](C)C ZINC000940334759 700514847 /nfs/dbraw/zinc/51/48/47/700514847.db2.gz PBGFZPAYESQRIG-INIZCTEOSA-N 2 0 333.480 1.596 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCCc2nc[nH]c21 ZINC001031968412 701651740 /nfs/dbraw/zinc/65/17/40/701651740.db2.gz VRECYOQQXMBFLA-HUUCEWRRSA-N 2 0 332.448 1.447 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426486 700620187 /nfs/dbraw/zinc/62/01/87/700620187.db2.gz SNJBXIVJWJVKDP-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP CC1([NH2+]Cc2ccccn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428231 700622358 /nfs/dbraw/zinc/62/23/58/700622358.db2.gz ZZMAJTPDQCUUKR-UHFFFAOYSA-N 2 0 328.460 1.648 20 0 EDADRP CC(C)c1nc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457446 700660903 /nfs/dbraw/zinc/66/09/03/700660903.db2.gz GIFSOGPTFQPRIX-CQSZACIVSA-N 2 0 349.479 1.615 20 0 EDADRP Cc1ncc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940625097 700786656 /nfs/dbraw/zinc/78/66/56/700786656.db2.gz OSUIHQZUWVABHP-JKSUJKDBSA-N 2 0 334.464 1.794 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940785900 700896476 /nfs/dbraw/zinc/89/64/76/700896476.db2.gz RMLPMYWPXVGSQW-JKSUJKDBSA-N 2 0 325.497 1.460 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000940780229 700904470 /nfs/dbraw/zinc/90/44/70/700904470.db2.gz NHZXXKYLGVGOFF-AWEZNQCLSA-N 2 0 339.505 1.632 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857830 700956690 /nfs/dbraw/zinc/95/66/90/700956690.db2.gz FCQYZGBFOZMYCP-SJORKVTESA-N 2 0 339.524 1.970 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999169001 706597149 /nfs/dbraw/zinc/59/71/49/706597149.db2.gz CBFVAZDDKVSPOL-NVXWUHKLSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999171741 706602013 /nfs/dbraw/zinc/60/20/13/706602013.db2.gz YBVCTTQPBIGPIU-HOTGVXAUSA-N 2 0 348.516 1.874 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC(C)C)C2)CC1 ZINC000941430830 701537758 /nfs/dbraw/zinc/53/77/58/701537758.db2.gz DBXGOWASZUGDEK-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941459473 701544016 /nfs/dbraw/zinc/54/40/16/701544016.db2.gz BWHZVDTZRTYIAY-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461101 701544547 /nfs/dbraw/zinc/54/45/47/701544547.db2.gz YZGGOYRYVLVRND-AEFFLSMTSA-N 2 0 336.524 1.345 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)cn1 ZINC001032129102 701809882 /nfs/dbraw/zinc/80/98/82/701809882.db2.gz QQFYVPPYVLIRLT-MSOLQXFVSA-N 2 0 347.507 1.131 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130362 701841044 /nfs/dbraw/zinc/84/10/44/701841044.db2.gz MSRGLHZJHRSAPK-UHFFFAOYSA-N 2 0 342.487 1.396 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995895990 702199997 /nfs/dbraw/zinc/19/99/97/702199997.db2.gz NGIMINSQHWDGQW-OAHLLOKOSA-N 2 0 347.507 1.714 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)n1 ZINC000995915822 702276309 /nfs/dbraw/zinc/27/63/09/702276309.db2.gz HAUVKYWMTAISNB-QGZVFWFLSA-N 2 0 347.507 1.714 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2oc(C)nc2C)C(C)(C)C1)[NH+](C)C ZINC000995953375 702317651 /nfs/dbraw/zinc/31/76/51/702317651.db2.gz UWFOYXWVFVQUGL-GDBMZVCRSA-N 2 0 336.480 1.958 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996220178 702631687 /nfs/dbraw/zinc/63/16/87/702631687.db2.gz CWWPVDREXIEWGZ-QGZVFWFLSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996299671 702690730 /nfs/dbraw/zinc/69/07/30/702690730.db2.gz BYMFULWIKKJJOS-JKSUJKDBSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)ncn1 ZINC000996302224 702694528 /nfs/dbraw/zinc/69/45/28/702694528.db2.gz WZYIVMXBOIQVCD-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)n2)C(C)(C)C1)[NH+](C)C ZINC000996315353 702703517 /nfs/dbraw/zinc/70/35/17/702703517.db2.gz NHBLLAHYGPVURU-LSDHHAIUSA-N 2 0 349.479 1.152 20 0 EDADRP CC(C)c1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC000995213052 702707799 /nfs/dbraw/zinc/70/77/99/702707799.db2.gz PRAPTGDWYHBDOY-CABCVRRESA-N 2 0 348.495 1.398 20 0 EDADRP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675683 706694958 /nfs/dbraw/zinc/69/49/58/706694958.db2.gz HSGXNWWYJRGXJY-BPUTZDHNSA-N 2 0 337.443 1.092 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000995219533 702761311 /nfs/dbraw/zinc/76/13/11/702761311.db2.gz ZBWNLCGUTUMQDC-ZFWWWQNUSA-N 2 0 346.479 1.152 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996413905 702765006 /nfs/dbraw/zinc/76/50/06/702765006.db2.gz HMMQLENLZOPTMF-YOEHRIQHSA-N 2 0 333.476 1.569 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)[C@H]2CCC[NH+](CCO)CC2)C1 ZINC000948435222 702853948 /nfs/dbraw/zinc/85/39/48/702853948.db2.gz JEOQMUZMHRAHNY-IRXDYDNUSA-N 2 0 325.497 1.270 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000996520521 702856429 /nfs/dbraw/zinc/85/64/29/702856429.db2.gz PDPGGWMDZASBJQ-AWEZNQCLSA-N 2 0 341.446 1.954 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996560509 702879030 /nfs/dbraw/zinc/87/90/30/702879030.db2.gz IVEKHUKQNKWJKH-SFHVURJKSA-N 2 0 346.450 1.643 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996612377 702917329 /nfs/dbraw/zinc/91/73/29/702917329.db2.gz QTEYYHRXHZWPTE-WBVHZDCISA-N 2 0 345.491 1.768 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996609055 702920080 /nfs/dbraw/zinc/92/00/80/702920080.db2.gz IKLMOPAXLGGLAI-WMZOPIPTSA-N 2 0 345.487 1.974 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996615007 702922333 /nfs/dbraw/zinc/92/23/33/702922333.db2.gz ONGQDAJTWHCHIZ-IAGOWNOFSA-N 2 0 347.507 1.224 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC000996661750 702955806 /nfs/dbraw/zinc/95/58/06/702955806.db2.gz AAZLYDWRNAEAQZ-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996663607 702961540 /nfs/dbraw/zinc/96/15/40/702961540.db2.gz HTNKUJDQSIRYGG-UHFFFAOYSA-N 2 0 334.464 1.856 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996676700 702975466 /nfs/dbraw/zinc/97/54/66/702975466.db2.gz HSJXFYXUKNHWOK-KRWDZBQOSA-N 2 0 333.480 1.324 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000996676782 702975917 /nfs/dbraw/zinc/97/59/17/702975917.db2.gz PGWIBZHCUVXWCE-HZPDHXFCSA-N 2 0 325.497 1.316 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996691086 702988603 /nfs/dbraw/zinc/98/86/03/702988603.db2.gz SAWMHYOWUHZHMV-KRWDZBQOSA-N 2 0 333.480 1.338 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1cnccn1 ZINC000996726083 703021170 /nfs/dbraw/zinc/02/11/70/703021170.db2.gz WEUIOMCRBOOJGA-PBHICJAKSA-N 2 0 331.464 1.603 20 0 EDADRP Cc1c(C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)ccc2c[nH+]cn21 ZINC000996746648 703040699 /nfs/dbraw/zinc/04/06/99/703040699.db2.gz JSHPMFNHDNFPTF-OAHLLOKOSA-N 2 0 342.443 1.873 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001032026689 703044540 /nfs/dbraw/zinc/04/45/40/703044540.db2.gz ILGZREXMNLVSHB-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C(F)(F)F ZINC000996852754 703131179 /nfs/dbraw/zinc/13/11/79/703131179.db2.gz BSWSVMRNWICJCF-ZIAGYGMSSA-N 2 0 335.414 1.965 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000996979672 703234962 /nfs/dbraw/zinc/23/49/62/703234962.db2.gz ODTATDMCIRILGR-RHSMWYFYSA-N 2 0 333.480 1.231 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005283 703262277 /nfs/dbraw/zinc/26/22/77/703262277.db2.gz DHHWKBAHWGWRAY-CRAIPNDOSA-N 2 0 347.507 1.742 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nc1 ZINC000997005172 703262434 /nfs/dbraw/zinc/26/24/34/703262434.db2.gz CZRPRISOSHNBKR-GDBMZVCRSA-N 2 0 331.464 1.063 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997008043 703265522 /nfs/dbraw/zinc/26/55/22/703265522.db2.gz UQKJAPVNXOEWFB-AWEZNQCLSA-N 2 0 346.475 1.974 20 0 EDADRP CC(C)c1nccn1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997056224 703301709 /nfs/dbraw/zinc/30/17/09/703301709.db2.gz ZOGCHSDNTKZGAV-UHFFFAOYSA-N 2 0 344.463 1.484 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000997059347 703303451 /nfs/dbraw/zinc/30/34/51/703303451.db2.gz AMANUSOFDWOEBX-SFHVURJKSA-N 2 0 347.507 1.764 20 0 EDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821686 703330266 /nfs/dbraw/zinc/33/02/66/703330266.db2.gz GDCCWVBOVYDCSF-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085690 703331374 /nfs/dbraw/zinc/33/13/74/703331374.db2.gz SREJBWRNIBSLFH-ZBFHGGJFSA-N 2 0 349.504 1.636 20 0 EDADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997094751 703333743 /nfs/dbraw/zinc/33/37/43/703333743.db2.gz UMIGVRDAFWDHMQ-DLBZAZTESA-N 2 0 343.475 1.574 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)c1nncn1C ZINC000997116100 703370377 /nfs/dbraw/zinc/37/03/77/703370377.db2.gz UXNFEVYVLBNZEC-OAHLLOKOSA-N 2 0 348.495 1.189 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC1 ZINC000997125366 703383817 /nfs/dbraw/zinc/38/38/17/703383817.db2.gz GPTBVVJFLDLPJJ-UHFFFAOYSA-N 2 0 346.475 1.273 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921531661 703392153 /nfs/dbraw/zinc/39/21/53/703392153.db2.gz ZPLYDXIMRCVZCT-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2ccc(C[NH+](C)C)cc2)C1)OC ZINC001032053280 703403849 /nfs/dbraw/zinc/40/38/49/703403849.db2.gz YCNHZQHFEPAKOP-GOSISDBHSA-N 2 0 333.476 1.835 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032405208 703427971 /nfs/dbraw/zinc/42/79/71/703427971.db2.gz CQYNCWGWCPODAG-BZSNNMDCSA-N 2 0 333.476 1.040 20 0 EDADRP O=C(N1CCC([NH2+]CCc2ccns2)CC1)C12CC[NH+](CC1)C2 ZINC000997186645 703476093 /nfs/dbraw/zinc/47/60/93/703476093.db2.gz JNJSYVSKJGBOBK-UHFFFAOYSA-N 2 0 334.489 1.362 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997187091 703476505 /nfs/dbraw/zinc/47/65/05/703476505.db2.gz VXZVPVYOQWCZOV-SFHVURJKSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997289917 703550971 /nfs/dbraw/zinc/55/09/71/703550971.db2.gz OGJZKIXGQQACRT-OAHLLOKOSA-N 2 0 347.507 1.479 20 0 EDADRP CCC[NH+]1CCC([C@@H](C)NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000997349066 703576662 /nfs/dbraw/zinc/57/66/62/703576662.db2.gz XGPCEEQUUIILFS-OAHLLOKOSA-N 2 0 335.496 1.685 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997365416 703599156 /nfs/dbraw/zinc/59/91/56/703599156.db2.gz UQQXYDSERLSEHX-MRXNPFEDSA-N 2 0 331.464 1.432 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000997368812 703609175 /nfs/dbraw/zinc/60/91/75/703609175.db2.gz LEKVUGVBNGGXGU-WMZOPIPTSA-N 2 0 337.508 1.724 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997434957 703664995 /nfs/dbraw/zinc/66/49/95/703664995.db2.gz RLWUOEFYZWSQRA-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997605048 703901374 /nfs/dbraw/zinc/90/13/74/703901374.db2.gz CNVVPCVCUGEQRD-QGZVFWFLSA-N 2 0 346.475 1.513 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000997612021 703909510 /nfs/dbraw/zinc/90/95/10/703909510.db2.gz IXHUEGHQMBINHF-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997610949 703910806 /nfs/dbraw/zinc/91/08/06/703910806.db2.gz AUVCYAQOMFRYHZ-ZFWWWQNUSA-N 2 0 348.495 1.351 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000997615782 703914801 /nfs/dbraw/zinc/91/48/01/703914801.db2.gz WWEALIKUZQMLSI-OAHLLOKOSA-N 2 0 336.505 1.874 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1 ZINC000995550919 703954789 /nfs/dbraw/zinc/95/47/89/703954789.db2.gz KQIXENAXLXXJTD-DLBZAZTESA-N 2 0 345.491 1.250 20 0 EDADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1cnc2c1CCCC2 ZINC001032523424 703979458 /nfs/dbraw/zinc/97/94/58/703979458.db2.gz YAHOMODMOSHTCG-KKUMJFAQSA-N 2 0 332.448 1.082 20 0 EDADRP C[C@H](NC(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC[NH+](CCO)CC1 ZINC000997673628 704026170 /nfs/dbraw/zinc/02/61/70/704026170.db2.gz XYQCZCZOXYOHFY-AWEZNQCLSA-N 2 0 343.431 1.090 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033086140 704150868 /nfs/dbraw/zinc/15/08/68/704150868.db2.gz ZUOQQCZHEUPDCG-QGZVFWFLSA-N 2 0 347.507 1.781 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCC3CCOCC3)C2)CC[N@@H+]1C ZINC001033090566 704173010 /nfs/dbraw/zinc/17/30/10/704173010.db2.gz CNFCEPGUISCQAJ-BPQIPLTHSA-N 2 0 337.508 1.676 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598085 704310811 /nfs/dbraw/zinc/31/08/11/704310811.db2.gz XOMQZCCGVFSJJC-HCXYKTFWSA-N 2 0 347.503 1.430 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997785759 704689995 /nfs/dbraw/zinc/68/99/95/704689995.db2.gz LTIAQFXWSQWNSL-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)o2)CC1 ZINC000997821028 704739473 /nfs/dbraw/zinc/73/94/73/704739473.db2.gz LEZDAFOHJZDKRM-INIZCTEOSA-N 2 0 349.479 1.581 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1)C1CC1 ZINC000997824094 704743409 /nfs/dbraw/zinc/74/34/09/704743409.db2.gz QCXCUQJBYRCMBZ-MRXNPFEDSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997831090 704751454 /nfs/dbraw/zinc/75/14/54/704751454.db2.gz QEOMDSYEZJHOMV-BLLLJJGKSA-N 2 0 349.479 1.607 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944919483 704771141 /nfs/dbraw/zinc/77/11/41/704771141.db2.gz OGQJKJSBVZCDKL-DYVFJYSZSA-N 2 0 334.464 1.714 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@@H](C)C2CC[NH+](CC3CCC3)CC2)C1 ZINC000997872213 704777852 /nfs/dbraw/zinc/77/78/52/704777852.db2.gz WSWQZZIXSCENDW-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1conc1CN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 ZINC000944943438 704795860 /nfs/dbraw/zinc/79/58/60/704795860.db2.gz HXMRBXGWSVHJAQ-IUODEOHRSA-N 2 0 331.420 1.515 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@H]2CCOC2)CC[N@@H+]1C ZINC001032587359 705113032 /nfs/dbraw/zinc/11/30/32/705113032.db2.gz VVABSABIFQHFGG-ATIWLJMLSA-N 2 0 335.492 1.428 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CCC[N@H+](CC)CC1 ZINC000998008049 705167389 /nfs/dbraw/zinc/16/73/89/705167389.db2.gz QVOOBQLAORNLMH-MRXNPFEDSA-N 2 0 335.496 1.781 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076712 705297047 /nfs/dbraw/zinc/29/70/47/705297047.db2.gz CPNPJEILVNLDHS-UGSOOPFHSA-N 2 0 348.491 1.817 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000998081599 705302348 /nfs/dbraw/zinc/30/23/48/705302348.db2.gz KJUBXHQHKCITHM-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)C1 ZINC000998080440 705305458 /nfs/dbraw/zinc/30/54/58/705305458.db2.gz AIWTYYOJGJIWLD-HNNXBMFYSA-N 2 0 331.464 1.147 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998082078 705308355 /nfs/dbraw/zinc/30/83/55/705308355.db2.gz NNHQOZQBZLFGDJ-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC000998133501 705394784 /nfs/dbraw/zinc/39/47/84/705394784.db2.gz ABGNOLUYECYXCL-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCc2cccs2)CC1 ZINC001032603284 705427749 /nfs/dbraw/zinc/42/77/49/705427749.db2.gz VPJKPKIGCPCYIF-HOTGVXAUSA-N 2 0 333.501 1.918 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998216605 705538952 /nfs/dbraw/zinc/53/89/52/705538952.db2.gz IFPHNBNHCIARRG-INIZCTEOSA-N 2 0 348.466 1.891 20 0 EDADRP Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998268084 705639989 /nfs/dbraw/zinc/63/99/89/705639989.db2.gz BBTWTPYYJXHBET-OAHLLOKOSA-N 2 0 336.505 1.731 20 0 EDADRP CCc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998274123 705654724 /nfs/dbraw/zinc/65/47/24/705654724.db2.gz RGPJCGVWRGDABM-INIZCTEOSA-N 2 0 348.491 1.825 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032627610 705736075 /nfs/dbraw/zinc/73/60/75/705736075.db2.gz BYWIZXMXUBIYED-SZMVWBNQSA-N 2 0 335.492 1.430 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733852 706167236 /nfs/dbraw/zinc/16/72/36/706167236.db2.gz UQONELQCTRAWOA-IAGOWNOFSA-N 2 0 347.507 1.813 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC000998781979 706222913 /nfs/dbraw/zinc/22/29/13/706222913.db2.gz ZTPJWCQGUBZZSP-VMBOVVBDSA-N 2 0 348.516 1.872 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC000998792053 706238940 /nfs/dbraw/zinc/23/89/40/706238940.db2.gz RIKZPYWKWMGJBR-XSCHDIRWSA-N 2 0 336.505 1.871 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998794711 706241878 /nfs/dbraw/zinc/24/18/78/706241878.db2.gz FPZQBPVBBFOEKT-PRLABOORSA-N 2 0 333.480 1.322 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998866602 706296418 /nfs/dbraw/zinc/29/64/18/706296418.db2.gz MGMGSROIZAMBFG-VMWRSERWSA-N 2 0 347.507 1.416 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)[nH]1 ZINC000998992976 706425171 /nfs/dbraw/zinc/42/51/71/706425171.db2.gz DECBZQNEBGHJQI-NRXISQOPSA-N 2 0 348.495 1.491 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999061190 706522845 /nfs/dbraw/zinc/52/28/45/706522845.db2.gz NCYBYOAYLWXRKD-UHFFFAOYSA-N 2 0 342.443 1.954 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)nn1C ZINC000999372987 706867628 /nfs/dbraw/zinc/86/76/28/706867628.db2.gz PUYHBUHUWHJYED-DOTOQJQBSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999378325 706872558 /nfs/dbraw/zinc/87/25/58/706872558.db2.gz XXUWCHGYNBALMP-QZTJIDSGSA-N 2 0 330.476 1.811 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3cc(C4CC4)no3)C2)C1 ZINC000999407722 706917734 /nfs/dbraw/zinc/91/77/34/706917734.db2.gz FCUQGTLUIVDJLQ-IUDNXUCKSA-N 2 0 346.475 1.973 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)o1 ZINC000999409548 706919100 /nfs/dbraw/zinc/91/91/00/706919100.db2.gz QNUGETKOQZJGFV-UWTIGNOOSA-N 2 0 334.464 1.712 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)[NH+](C)C ZINC000999435813 706943247 /nfs/dbraw/zinc/94/32/47/706943247.db2.gz SLCVVULLBVHSHG-OALUTQOASA-N 2 0 347.503 1.846 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cccnc2OC)C1)[NH+](C)C ZINC000999481183 706989995 /nfs/dbraw/zinc/98/99/95/706989995.db2.gz CTBCXYZMNBUPKO-JKSUJKDBSA-N 2 0 334.464 1.511 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1 ZINC000999506449 707003897 /nfs/dbraw/zinc/00/38/97/707003897.db2.gz AUOOYACVRYJXIL-GDBMZVCRSA-N 2 0 336.505 1.751 20 0 EDADRP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999509329 707007160 /nfs/dbraw/zinc/00/71/60/707007160.db2.gz QLMOELUJKJVFTP-UHFFFAOYSA-N 2 0 348.495 1.109 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000999513308 707011944 /nfs/dbraw/zinc/01/19/44/707011944.db2.gz RYTYFMBDVVGJGD-QAPCUYQASA-N 2 0 346.475 1.655 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC[C@@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999596822 707099548 /nfs/dbraw/zinc/09/95/48/707099548.db2.gz MPNCCBYACHLLQA-SJORKVTESA-N 2 0 335.492 1.765 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]C[C@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999597970 707100570 /nfs/dbraw/zinc/10/05/70/707100570.db2.gz TYZWGDJDWUTFDA-DLBZAZTESA-N 2 0 335.492 1.765 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999614001 707131293 /nfs/dbraw/zinc/13/12/93/707131293.db2.gz LIXVZUHNKMXJBY-CYBMUJFWSA-N 2 0 342.428 1.580 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)cn1 ZINC000999622477 707143749 /nfs/dbraw/zinc/14/37/49/707143749.db2.gz UAZUSJGOJXIQDY-MRXNPFEDSA-N 2 0 338.415 1.462 20 0 EDADRP CC(C)(C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)[NH+]1CCCC1 ZINC000946710751 707183191 /nfs/dbraw/zinc/18/31/91/707183191.db2.gz WNQDVEQGCJQTQX-CALCHBBNSA-N 2 0 337.508 1.414 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)c3c[nH+]ccc3N(C)C)C2)o1 ZINC000999697960 707224424 /nfs/dbraw/zinc/22/44/24/707224424.db2.gz AVUOSHGLAMCWBG-UHFFFAOYSA-N 2 0 343.431 1.837 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)on1 ZINC000999690050 707246335 /nfs/dbraw/zinc/24/63/35/707246335.db2.gz UUXAHFJQNXQIOT-HSBZDZAISA-N 2 0 336.436 1.104 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000999778269 707339258 /nfs/dbraw/zinc/33/92/58/707339258.db2.gz WWPYOWYKAQQZAF-OAHLLOKOSA-N 2 0 345.447 1.738 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999788508 707405661 /nfs/dbraw/zinc/40/56/61/707405661.db2.gz CVXJUOYKMLZNGO-MSOLQXFVSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199533 707449528 /nfs/dbraw/zinc/44/95/28/707449528.db2.gz UOFVCFKWXCVLMK-MSOLQXFVSA-N 2 0 330.476 1.907 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC000999833681 707465710 /nfs/dbraw/zinc/46/57/10/707465710.db2.gz PANZHSVXGSWPHH-UHFFFAOYSA-N 2 0 332.448 1.265 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccncc2Cl)C1 ZINC000999833802 707466347 /nfs/dbraw/zinc/46/63/47/707466347.db2.gz DGWYDQMVQOMDON-NFOMZHRRSA-N 2 0 336.867 1.766 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999836912 707472939 /nfs/dbraw/zinc/47/29/39/707472939.db2.gz MFENHZAXACZPGM-HIFPTAJRSA-N 2 0 338.477 1.182 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000999876287 707523643 /nfs/dbraw/zinc/52/36/43/707523643.db2.gz LDJQNNASHQBATR-OFLPRAFFSA-N 2 0 334.464 1.936 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000999876867 707525255 /nfs/dbraw/zinc/52/52/55/707525255.db2.gz PQLOUQFCXRGLSK-KRWDZBQOSA-N 2 0 347.507 1.418 20 0 EDADRP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004873523 707535335 /nfs/dbraw/zinc/53/53/35/707535335.db2.gz AMTPAGLKJDBMCF-PBHICJAKSA-N 2 0 348.495 1.159 20 0 EDADRP CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999994063 707671741 /nfs/dbraw/zinc/67/17/41/707671741.db2.gz ZJUHYWMFGIDDIM-CVEARBPZSA-N 2 0 334.468 1.034 20 0 EDADRP Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)C[C@@H]2CC[N@@H+](C)C2)sn1 ZINC001032731857 707734565 /nfs/dbraw/zinc/73/45/65/707734565.db2.gz RJJTUGJYCUYCNJ-KKUMJFAQSA-N 2 0 334.489 1.578 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001000194469 707830913 /nfs/dbraw/zinc/83/09/13/707830913.db2.gz VQGNXZSTFVEDCC-CRAIPNDOSA-N 2 0 330.476 1.812 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC001000199976 707839391 /nfs/dbraw/zinc/83/93/91/707839391.db2.gz OAGUWBJUUVTNTF-FUHWJXTLSA-N 2 0 347.507 1.886 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033225447 707853627 /nfs/dbraw/zinc/85/36/27/707853627.db2.gz HDOGONOZRYPUHS-DLBZAZTESA-N 2 0 335.492 1.717 20 0 EDADRP Cc1oncc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982082 707860678 /nfs/dbraw/zinc/86/06/78/707860678.db2.gz OSSZDNIJGPCJLL-RHSMWYFYSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033230338 707890745 /nfs/dbraw/zinc/89/07/45/707890745.db2.gz MHSHPZIHEHYJTR-NVXWUHKLSA-N 2 0 342.443 1.907 20 0 EDADRP CC[C@@H](F)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536095 707891531 /nfs/dbraw/zinc/89/15/31/707891531.db2.gz GVZFOHZQTFCMGR-TWMKSMIVSA-N 2 0 341.471 1.236 20 0 EDADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536693 707896593 /nfs/dbraw/zinc/89/65/93/707896593.db2.gz UTNSZHNISTURLP-KSZLIROESA-N 2 0 337.508 1.534 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C3CC[NH+](CCO)CC3)CC2)C1 ZINC001000246460 707955304 /nfs/dbraw/zinc/95/53/04/707955304.db2.gz CLZOTRBEWNAIBK-INIZCTEOSA-N 2 0 337.508 1.462 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472478 707960587 /nfs/dbraw/zinc/96/05/87/707960587.db2.gz WNSDFAFOPBSEJZ-ZWKOTPCHSA-N 2 0 347.507 1.679 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1 ZINC001032802228 708085570 /nfs/dbraw/zinc/08/55/70/708085570.db2.gz RICGRTRZXTZIJV-BZSNNMDCSA-N 2 0 335.492 1.574 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032802711 708089381 /nfs/dbraw/zinc/08/93/81/708089381.db2.gz KUGLEDRIAMNDTM-XYJFISCASA-N 2 0 335.492 1.715 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CC2CCOCC2)CC1 ZINC001001824129 708326468 /nfs/dbraw/zinc/32/64/68/708326468.db2.gz BUCUHRLLGABZJJ-YJBOKZPZSA-N 2 0 337.508 1.439 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001001835719 708340158 /nfs/dbraw/zinc/34/01/58/708340158.db2.gz ZJOQBSJHXARXFH-KBXCAEBGSA-N 2 0 345.491 1.311 20 0 EDADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](C)O)CC1 ZINC001001911718 708417240 /nfs/dbraw/zinc/41/72/40/708417240.db2.gz PLFJYPCHASFJIP-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659576 708471599 /nfs/dbraw/zinc/47/15/99/708471599.db2.gz DHKAZTXGXSWDBY-GJZGRUSLSA-N 2 0 334.464 1.530 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001002159967 708673869 /nfs/dbraw/zinc/67/38/69/708673869.db2.gz SAQNOWLPLHXLJU-OAHLLOKOSA-N 2 0 333.476 1.571 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC001002443062 708962547 /nfs/dbraw/zinc/96/25/47/708962547.db2.gz DEFAJZLEZSGMRE-HNNXBMFYSA-N 2 0 336.505 1.935 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](CC3CCCCCC3)C2)C1 ZINC001016307940 708995471 /nfs/dbraw/zinc/99/54/71/708995471.db2.gz XBJHUXTYLKKTJE-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001002473345 709007594 /nfs/dbraw/zinc/00/75/94/709007594.db2.gz DQHKHXLKIRZMJK-QGZVFWFLSA-N 2 0 333.480 1.175 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033896195 709013694 /nfs/dbraw/zinc/01/36/94/709013694.db2.gz CILGYOLAHPMOLX-CRAIPNDOSA-N 2 0 342.443 1.907 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002793175 709401295 /nfs/dbraw/zinc/40/12/95/709401295.db2.gz WJPFGICBCXPEDC-SFHVURJKSA-N 2 0 347.507 1.416 20 0 EDADRP O=C(NC1CC[NH+](CCC[C@@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002830731 709441879 /nfs/dbraw/zinc/44/18/79/709441879.db2.gz CBAIHHXCWCVJFH-APWZRJJASA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002830816 709441978 /nfs/dbraw/zinc/44/19/78/709441978.db2.gz CTYZRKKKVBPBAI-CRAIPNDOSA-N 2 0 335.492 1.335 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831327 709442332 /nfs/dbraw/zinc/44/23/32/709442332.db2.gz FAWBEEZEUDYOOT-KRWDZBQOSA-N 2 0 346.475 1.659 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001002833779 709449061 /nfs/dbraw/zinc/44/90/61/709449061.db2.gz PDXKZUHNMKLESY-PPSBMQLTSA-N 2 0 349.519 1.724 20 0 EDADRP CC[C@H](F)C[NH+]1CCC(NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC001002838284 709453819 /nfs/dbraw/zinc/45/38/19/709453819.db2.gz NLLMJYNHYKNBJW-AWEZNQCLSA-N 2 0 339.459 1.387 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002953779 709654067 /nfs/dbraw/zinc/65/40/67/709654067.db2.gz CKTOFBWDHGRFPJ-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2cnoc2C)CC1 ZINC001002955410 709657065 /nfs/dbraw/zinc/65/70/65/709657065.db2.gz NJPDJNBQMJUXMP-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC000702764974 709843426 /nfs/dbraw/zinc/84/34/26/709843426.db2.gz CBDQDPLQVJVXBN-BARDWOONSA-N 2 0 327.469 1.287 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@@H]1O)C1CC[NH+](C)CC1 ZINC000702807750 709855176 /nfs/dbraw/zinc/85/51/76/709855176.db2.gz DLXUCLJPYXKPTF-IMJJTQAJSA-N 2 0 341.496 1.534 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC3CCOCC3)C2)CC1 ZINC001034378032 709899314 /nfs/dbraw/zinc/89/93/14/709899314.db2.gz OAZXWTKMAHNINJ-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400020 709943359 /nfs/dbraw/zinc/94/33/59/709943359.db2.gz WSHSBIHKPRRHBQ-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003161036 710070779 /nfs/dbraw/zinc/07/07/79/710070779.db2.gz RVWACGNZALLTRY-RBUKOAKNSA-N 2 0 345.487 1.785 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001003165694 710076956 /nfs/dbraw/zinc/07/69/56/710076956.db2.gz IBFQZJDUOHKTSV-SFHVURJKSA-N 2 0 330.476 1.955 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490687 710109393 /nfs/dbraw/zinc/10/93/93/710109393.db2.gz MQIUJFOCWCUYSI-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490684 710109561 /nfs/dbraw/zinc/10/95/61/710109561.db2.gz MQIUJFOCWCUYSI-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](Cc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC001034487548 710135016 /nfs/dbraw/zinc/13/50/16/710135016.db2.gz OMHOTORESWEJSV-KRWDZBQOSA-N 2 0 328.460 1.648 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1)C12CCC[NH+]1CCC2 ZINC001003245194 710168946 /nfs/dbraw/zinc/16/89/46/710168946.db2.gz VUMCEMDXPHOJIP-VQIMIIECSA-N 2 0 347.503 1.622 20 0 EDADRP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525871 710176980 /nfs/dbraw/zinc/17/69/80/710176980.db2.gz QRJGWUAJBLNICM-IAGOWNOFSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034606705 710269967 /nfs/dbraw/zinc/26/99/67/710269967.db2.gz ASFAPHPJFBXBKU-KONPQCLYSA-N 2 0 345.491 1.957 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034642159 710317913 /nfs/dbraw/zinc/31/79/13/710317913.db2.gz ADBQYMFQWIXNBB-BQFCYCMXSA-N 2 0 347.507 1.810 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1 ZINC001034646161 710322255 /nfs/dbraw/zinc/32/22/55/710322255.db2.gz DDQXOBIPUUHNTM-XLAORIBOSA-N 2 0 337.508 1.913 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001003491365 710373880 /nfs/dbraw/zinc/37/38/80/710373880.db2.gz DNANXIAHGIPJNA-ZFWWWQNUSA-N 2 0 334.464 1.794 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CCc3ccns3)CC2)CC1 ZINC001003549073 710414496 /nfs/dbraw/zinc/41/44/96/710414496.db2.gz YRRRMDVJFVGDMZ-UHFFFAOYSA-N 2 0 336.505 1.608 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636603 710456856 /nfs/dbraw/zinc/45/68/56/710456856.db2.gz WQGXTVABAIRPMA-SWLSCSKDSA-N 2 0 329.435 1.810 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628499 710458658 /nfs/dbraw/zinc/45/86/58/710458658.db2.gz RBDGSIAXVPEWAS-CXAGYDPISA-N 2 0 329.460 1.160 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC001003628697 710458663 /nfs/dbraw/zinc/45/86/63/710458663.db2.gz UKKRILRHOZXFPQ-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737127 710518586 /nfs/dbraw/zinc/51/85/86/710518586.db2.gz GMYNDMHRWCROBQ-DOTOQJQBSA-N 2 0 325.497 1.865 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034673455 710611246 /nfs/dbraw/zinc/61/12/46/710611246.db2.gz ATAHAVGMOGFAQQ-BFYDXBDKSA-N 2 0 333.480 1.421 20 0 EDADRP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001034674963 710626355 /nfs/dbraw/zinc/62/63/55/710626355.db2.gz VXIOHPIBNNYRDV-BFYDXBDKSA-N 2 0 348.495 1.299 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034733396 710913792 /nfs/dbraw/zinc/91/37/92/710913792.db2.gz BHYYCGYYRVGUNV-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034735451 710920916 /nfs/dbraw/zinc/92/09/16/710920916.db2.gz HMEMGLXWDNRHKP-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032944479 710921296 /nfs/dbraw/zinc/92/12/96/710921296.db2.gz LBGXFEZQIMRBPL-RTBURBONSA-N 2 0 344.503 1.880 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034736742 710924250 /nfs/dbraw/zinc/92/42/50/710924250.db2.gz AXQLDCQVYZZHKO-QBYUYEEZSA-N 2 0 333.480 1.135 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)c3)CC2)CC1 ZINC001034763178 711033862 /nfs/dbraw/zinc/03/38/62/711033862.db2.gz JXPNZNWSAJTYST-IYARVYRRSA-N 2 0 347.507 1.669 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032969390 711047945 /nfs/dbraw/zinc/04/79/45/711047945.db2.gz WKIHRVBEJKZZDT-MOPGFXCFSA-N 2 0 345.487 1.960 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034796005 711115698 /nfs/dbraw/zinc/11/56/98/711115698.db2.gz BDPVPVSXQIGOPP-QAETUUGQSA-N 2 0 345.491 1.866 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034796049 711115743 /nfs/dbraw/zinc/11/57/43/711115743.db2.gz COAMXFAVAJBIFT-BIQWYFBQSA-N 2 0 335.452 1.459 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001034793913 711124967 /nfs/dbraw/zinc/12/49/67/711124967.db2.gz VFTBEYZXTDNEFN-RBSFLKMASA-N 2 0 349.479 1.806 20 0 EDADRP CCn1ccnc1CN1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968707 711144128 /nfs/dbraw/zinc/14/41/28/711144128.db2.gz SZSZFLIQVVUICK-HNNXBMFYSA-N 2 0 333.480 1.325 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003977757 711150880 /nfs/dbraw/zinc/15/08/80/711150880.db2.gz XDOZIJMLACOARK-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001034811152 711173710 /nfs/dbraw/zinc/17/37/10/711173710.db2.gz RGMCDIWYSXSDFK-SFHVURJKSA-N 2 0 341.459 1.420 20 0 EDADRP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001034830787 711236612 /nfs/dbraw/zinc/23/66/12/711236612.db2.gz DUDHWHJIAXSCCY-KRWDZBQOSA-N 2 0 342.443 1.841 20 0 EDADRP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC001034885138 711288874 /nfs/dbraw/zinc/28/88/74/711288874.db2.gz PFGDMUTWHIRQSQ-SJLPKXTDSA-N 2 0 331.460 1.870 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034937019 711437330 /nfs/dbraw/zinc/43/73/30/711437330.db2.gz ZDNWXCYCDXOCIY-IAGOWNOFSA-N 2 0 333.480 1.374 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001034940660 711444385 /nfs/dbraw/zinc/44/43/85/711444385.db2.gz HCWMJHICIHYBRN-HZPDHXFCSA-N 2 0 332.448 1.405 20 0 EDADRP CN(C)c1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC001004145811 711555952 /nfs/dbraw/zinc/55/59/52/711555952.db2.gz VFHMSWFVPPDVAD-INIZCTEOSA-N 2 0 345.491 1.180 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC001004147543 711559370 /nfs/dbraw/zinc/55/93/70/711559370.db2.gz KCSXENKHJPNRSI-GOSISDBHSA-N 2 0 349.450 1.536 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149183 711563303 /nfs/dbraw/zinc/56/33/03/711563303.db2.gz FRHJXXYTYVRQPP-PKOBYXMFSA-N 2 0 345.487 1.906 20 0 EDADRP O=C(N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)C12CCC[NH+]1CCC2 ZINC001004476757 711856892 /nfs/dbraw/zinc/85/68/92/711856892.db2.gz NNSTUCCYLJVSRR-SFHVURJKSA-N 2 0 349.519 1.700 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631665 712020902 /nfs/dbraw/zinc/02/09/02/712020902.db2.gz SJGGOUWCFKWREZ-FJIDUMEYSA-N 2 0 337.508 1.412 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608410 712061028 /nfs/dbraw/zinc/06/10/28/712061028.db2.gz ZJJCNXKSXLJXLD-FUHWJXTLSA-N 2 0 349.519 1.820 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616961 712076628 /nfs/dbraw/zinc/07/66/28/712076628.db2.gz NICLKFUQUPEJDO-WBVHZDCISA-N 2 0 347.463 1.224 20 0 EDADRP CN(C(=O)[C@H]1CCCc2nccn21)[C@@H]1CCN(Cc2ccccn2)C1 ZINC001033151070 712115190 /nfs/dbraw/zinc/11/51/90/712115190.db2.gz HQKVQEBUGJRDMA-IAGOWNOFSA-N 2 0 339.443 1.888 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2cncn2C)C1 ZINC001033152244 712145813 /nfs/dbraw/zinc/14/58/13/712145813.db2.gz NUOSBSBHBNQEKZ-IAGOWNOFSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1nc2c([nH]1)C[C@@H](C(=O)N1CC[C@H]3C[N@@H+](CCF)C[C@H]3CC1)CC2 ZINC000946651852 712200678 /nfs/dbraw/zinc/20/06/78/712200678.db2.gz GSHMNQYJWCXQSX-HRCADAONSA-N 2 0 348.466 1.963 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000557632973 306231388 /nfs/dbraw/zinc/23/13/88/306231388.db2.gz XLSYCGLXGKEUGD-INIZCTEOSA-N 2 0 345.487 1.601 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)cc1 ZINC000262119970 282148306 /nfs/dbraw/zinc/14/83/06/282148306.db2.gz VMWBUOHWNLLGMD-AWEZNQCLSA-N 2 0 325.478 1.416 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000111794376 282241723 /nfs/dbraw/zinc/24/17/23/282241723.db2.gz HOXOPJSSBZJVOF-GOSISDBHSA-N 2 0 348.491 1.293 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CCCSC1 ZINC000369360618 282273677 /nfs/dbraw/zinc/27/36/77/282273677.db2.gz YALBGNFGSHCZJI-DOTOQJQBSA-N 2 0 325.522 1.947 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000158850250 529880686 /nfs/dbraw/zinc/88/06/86/529880686.db2.gz VMIMALCDWFBQTO-GJZGRUSLSA-N 2 0 338.496 1.807 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000433457012 305109744 /nfs/dbraw/zinc/10/97/44/305109744.db2.gz OBTXMONPLAIKHA-OAGGEKHMSA-N 2 0 326.485 1.079 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H](C(C)C)N1CCOCC1)C(C)C ZINC000102551474 219210486 /nfs/dbraw/zinc/21/04/86/219210486.db2.gz GMKQVXLZHHGTLH-MRXNPFEDSA-N 2 0 328.501 1.373 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000561166623 306283782 /nfs/dbraw/zinc/28/37/82/306283782.db2.gz UARPKCJXBDKWMK-WDSOQIARSA-N 2 0 344.503 1.930 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2oc(=O)[nH]c21 ZINC000561259453 306285844 /nfs/dbraw/zinc/28/58/44/306285844.db2.gz PFTRKYJHAHYGPP-UHFFFAOYSA-N 2 0 348.447 1.879 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@@H]3CCCOC3)c2)C1 ZINC000156941749 539959955 /nfs/dbraw/zinc/95/99/55/539959955.db2.gz ONCKVISJMROTLF-QZTJIDSGSA-N 2 0 331.460 1.653 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000562808606 306309875 /nfs/dbraw/zinc/30/98/75/306309875.db2.gz DYIOERSDYZSDEF-ZBFHGGJFSA-N 2 0 331.464 1.738 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949524 306313336 /nfs/dbraw/zinc/31/33/36/306313336.db2.gz HRWJPDSZTWMGGU-IEBWSBKVSA-N 2 0 331.460 1.176 20 0 EDADRP CCc1cccc(OC[C@H](O)C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000562998082 306314953 /nfs/dbraw/zinc/31/49/53/306314953.db2.gz YZEYGAQXDOJNJJ-LJQANCHMSA-N 2 0 349.519 1.604 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000563088870 306318488 /nfs/dbraw/zinc/31/84/88/306318488.db2.gz ANFIOJJZSKCSNK-RBUKOAKNSA-N 2 0 344.503 1.183 20 0 EDADRP COc1cc(F)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1OC ZINC000563253069 306324790 /nfs/dbraw/zinc/32/47/90/306324790.db2.gz PGCYMOCJPIRJHH-ZDUSSCGKSA-N 2 0 325.428 1.568 20 0 EDADRP C[C@H](c1ccccc1Cl)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000563539037 306338122 /nfs/dbraw/zinc/33/81/22/306338122.db2.gz LQRDXSUMZQDEAP-MRXNPFEDSA-N 2 0 336.911 1.924 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1CCCCCC1 ZINC000076306827 138247913 /nfs/dbraw/zinc/24/79/13/138247913.db2.gz BPTTWSKCBHNZJT-QGZVFWFLSA-N 2 0 325.497 1.772 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000563560676 306339055 /nfs/dbraw/zinc/33/90/55/306339055.db2.gz QUMPNEWOPCYUOX-HOCLYGCPSA-N 2 0 332.448 1.575 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563583809 306339814 /nfs/dbraw/zinc/33/98/14/306339814.db2.gz AVZBMBGWNHIUDD-CGTJXYLNSA-N 2 0 330.476 1.948 20 0 EDADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000092746456 138290185 /nfs/dbraw/zinc/29/01/85/138290185.db2.gz OVINZSUMWHHUMO-KBPBESRZSA-N 2 0 340.537 1.927 20 0 EDADRP CCCCCn1cc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)n1 ZINC000563588167 306340180 /nfs/dbraw/zinc/34/01/80/306340180.db2.gz XSDGZIGOVDCRIK-INIZCTEOSA-N 2 0 336.484 1.166 20 0 EDADRP CC[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Oc1ccccc1C ZINC000563588488 306340190 /nfs/dbraw/zinc/34/01/90/306340190.db2.gz PTMBWCPANIJAKD-CVEARBPZSA-N 2 0 334.464 1.437 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000563588216 306340137 /nfs/dbraw/zinc/34/01/37/306340137.db2.gz ONYUWGHSYJPFLH-KRWDZBQOSA-N 2 0 340.512 1.504 20 0 EDADRP CCn1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000564088231 306355679 /nfs/dbraw/zinc/35/56/79/306355679.db2.gz ZEXQLISQTKDYDE-UHFFFAOYSA-N 2 0 342.447 1.240 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2CC[NH2+]CC2)c1 ZINC000164759004 138651052 /nfs/dbraw/zinc/65/10/52/138651052.db2.gz QJPBTEPXPIHZGD-UHFFFAOYSA-N 2 0 346.475 1.696 20 0 EDADRP Cc1cccc2c1OC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000564649961 306361898 /nfs/dbraw/zinc/36/18/98/306361898.db2.gz BLIHRUJKEHMZOY-KRWDZBQOSA-N 2 0 348.491 1.433 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000564716681 306363393 /nfs/dbraw/zinc/36/33/93/306363393.db2.gz QUOPSFAUBZEUAZ-GBESFXJTSA-N 2 0 345.487 1.564 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000414004219 304094023 /nfs/dbraw/zinc/09/40/23/304094023.db2.gz HGUKSFLBSFPWFO-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccccc1 ZINC000565352767 306381996 /nfs/dbraw/zinc/38/19/96/306381996.db2.gz XRZAMIJDMLQQNE-QGZVFWFLSA-N 2 0 346.475 1.453 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000565616544 306387748 /nfs/dbraw/zinc/38/77/48/306387748.db2.gz ANWWCGWANGOKPJ-INIZCTEOSA-N 2 0 325.497 1.602 20 0 EDADRP C[C@@H](CCOCc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000566128759 306399130 /nfs/dbraw/zinc/39/91/30/306399130.db2.gz JRTALIGJIRAATL-HKUYNNGSSA-N 2 0 335.492 1.180 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414556212 304122050 /nfs/dbraw/zinc/12/20/50/304122050.db2.gz JLSAOLJWIGHEKJ-MJGOQNOKSA-N 2 0 333.476 1.004 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000414694840 304128321 /nfs/dbraw/zinc/12/83/21/304128321.db2.gz GFEODWVBHCKWRQ-IAGOWNOFSA-N 2 0 342.443 1.014 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414727770 304133278 /nfs/dbraw/zinc/13/32/78/304133278.db2.gz BALWFFVPYYVRGD-MRXNPFEDSA-N 2 0 332.448 1.321 20 0 EDADRP COc1ccc2c(c1)CC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000414744200 304135907 /nfs/dbraw/zinc/13/59/07/304135907.db2.gz JKZXTFFGTNDVIO-HNNXBMFYSA-N 2 0 331.460 1.293 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@]2(CO)Cc2ccccc2)C1 ZINC000414762105 304138120 /nfs/dbraw/zinc/13/81/20/304138120.db2.gz VKNXLXDUTNGNLU-AZUAARDMSA-N 2 0 345.487 1.253 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)C1 ZINC000414763004 304138157 /nfs/dbraw/zinc/13/81/57/304138157.db2.gz WVYDXVNAJWBJER-YLJYHZDGSA-N 2 0 345.487 1.210 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000566482594 306416387 /nfs/dbraw/zinc/41/63/87/306416387.db2.gz PDEVJABITYLEPD-JKSUJKDBSA-N 2 0 337.489 1.831 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772720 304139488 /nfs/dbraw/zinc/13/94/88/304139488.db2.gz VHNYFDNLIGVWSS-CALCHBBNSA-N 2 0 348.491 1.883 20 0 EDADRP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989751 304148640 /nfs/dbraw/zinc/14/86/40/304148640.db2.gz QYLHSNNKLRHGLE-DZGCQCFKSA-N 2 0 347.429 1.821 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1OC ZINC000414990485 304148646 /nfs/dbraw/zinc/14/86/46/304148646.db2.gz PEFOVQFRAIMZGY-QAPCUYQASA-N 2 0 347.459 1.440 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000155126402 296146989 /nfs/dbraw/zinc/14/69/89/296146989.db2.gz CMRRJMVXJLVPFB-LSDHHAIUSA-N 2 0 339.505 1.377 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000415043110 304153836 /nfs/dbraw/zinc/15/38/36/304153836.db2.gz AEEBYUKDJQRBSU-CQSZACIVSA-N 2 0 330.432 1.413 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424150808 296166682 /nfs/dbraw/zinc/16/66/82/296166682.db2.gz ZMKRNHFJOPTAHO-LSDHHAIUSA-N 2 0 331.464 1.435 20 0 EDADRP COc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1OC ZINC000415131752 304162576 /nfs/dbraw/zinc/16/25/76/304162576.db2.gz JWLXFBOUESKWDY-CVEARBPZSA-N 2 0 332.444 1.904 20 0 EDADRP COc1ccc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cc1OC ZINC000195156175 139008188 /nfs/dbraw/zinc/00/81/88/139008188.db2.gz JGCSGKGGTGODJZ-INIZCTEOSA-N 2 0 347.459 1.442 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]C2)CC1 ZINC000195154540 139008199 /nfs/dbraw/zinc/00/81/99/139008199.db2.gz LCLBNWLIQIGLEC-GOSISDBHSA-N 2 0 344.503 1.440 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236807941 139032031 /nfs/dbraw/zinc/03/20/31/139032031.db2.gz NWSWBDKVKZPKDK-LJQANCHMSA-N 2 0 345.487 1.707 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000156141413 205065911 /nfs/dbraw/zinc/06/59/11/205065911.db2.gz WEIDYHRLGSCJKO-UHFFFAOYSA-N 2 0 333.476 1.979 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000237955308 139065018 /nfs/dbraw/zinc/06/50/18/139065018.db2.gz RGHSRNYQADADCO-QGZVFWFLSA-N 2 0 344.459 1.593 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000111794366 220191413 /nfs/dbraw/zinc/19/14/13/220191413.db2.gz BBKJBZNBVJZMOE-ZWKOTPCHSA-N 2 0 348.491 1.699 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000111834925 220202391 /nfs/dbraw/zinc/20/23/91/220202391.db2.gz ORZVFURPPANZTL-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000567770623 306462360 /nfs/dbraw/zinc/46/23/60/306462360.db2.gz BSWQVVUKDLHGMW-INIZCTEOSA-N 2 0 342.447 1.387 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000333136237 296243532 /nfs/dbraw/zinc/24/35/32/296243532.db2.gz CIZUMIFDZNCTLO-GJZGRUSLSA-N 2 0 331.464 1.610 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000568247082 306476768 /nfs/dbraw/zinc/47/67/68/306476768.db2.gz BFBLXNIBJVLURX-CHWSQXEVSA-N 2 0 331.869 1.478 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@H](CO)O[C@@H](C)C3)c2cc1C ZINC000248867261 139178463 /nfs/dbraw/zinc/17/84/63/139178463.db2.gz UCCCLSDSDIWHFX-ARFHVFGLSA-N 2 0 333.432 1.096 20 0 EDADRP C[C@@]1(C[NH3+])CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261656412 139214917 /nfs/dbraw/zinc/21/49/17/139214917.db2.gz HVGUGFUZKNYCIV-FQEVSTJZSA-N 2 0 344.503 1.569 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261629660 139212792 /nfs/dbraw/zinc/21/27/92/139212792.db2.gz HEXPPOHRRBHZCC-AEFFLSMTSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670805 139216130 /nfs/dbraw/zinc/21/61/30/139216130.db2.gz BUUQEXIKGFMCFQ-RDJZCZTQSA-N 2 0 331.460 1.664 20 0 EDADRP COc1cccc([C@H](CNC(=O)c2ccnc(C[NH3+])c2)[NH+](C)C)c1 ZINC000261765989 139224216 /nfs/dbraw/zinc/22/42/16/139224216.db2.gz WIKHDBYKMXFETG-KRWDZBQOSA-N 2 0 328.416 1.582 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)N[C@H](C(=O)OC)[C@H](C)CC)CC1 ZINC000321701828 535457962 /nfs/dbraw/zinc/45/79/62/535457962.db2.gz DIJYRZATNGHKMO-CJNGLKHVSA-N 2 0 327.469 1.012 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261845552 139231004 /nfs/dbraw/zinc/23/10/04/139231004.db2.gz PYLCPDFVSOEFLW-PGUXBMHVSA-N 2 0 340.265 1.819 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261845551 139231022 /nfs/dbraw/zinc/23/10/22/139231022.db2.gz PYLCPDFVSOEFLW-FIXISWKDSA-N 2 0 340.265 1.819 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)[C@@H](C[NH3+])C1 ZINC000261894197 139234880 /nfs/dbraw/zinc/23/48/80/139234880.db2.gz VODBMXOPBWDZAP-IAGOWNOFSA-N 2 0 345.491 1.180 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000261867648 139232632 /nfs/dbraw/zinc/23/26/32/139232632.db2.gz QGLITEJLAWVVMH-SFHVURJKSA-N 2 0 344.503 1.440 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000261872348 139232983 /nfs/dbraw/zinc/23/29/83/139232983.db2.gz SMSNKDWKDLNEDY-IEBWSBKVSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1C[NH2+]CCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000261872648 139233040 /nfs/dbraw/zinc/23/30/40/139233040.db2.gz PEVRFYOWOWBYHY-OAHLLOKOSA-N 2 0 348.516 1.468 20 0 EDADRP C[C@@H]([NH3+])CC(=O)N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000261886539 139234114 /nfs/dbraw/zinc/23/41/14/139234114.db2.gz VHVPYEVPXLDWOZ-QAPCUYQASA-N 2 0 333.476 1.628 20 0 EDADRP Cc1ncsc1CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261965782 139240550 /nfs/dbraw/zinc/24/05/50/139240550.db2.gz YILNQKRRCDACQB-GJZGRUSLSA-N 2 0 336.505 1.574 20 0 EDADRP Fc1ccc(Cn2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cn2)cc1 ZINC000262129394 139253483 /nfs/dbraw/zinc/25/34/83/139253483.db2.gz NPXGQCQXEVRDKP-IBGZPJMESA-N 2 0 343.450 1.550 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1F ZINC000262137821 139254306 /nfs/dbraw/zinc/25/43/06/139254306.db2.gz DPHGBHHOPCTRQU-DOTOQJQBSA-N 2 0 349.450 1.915 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC[NH+]3CCCCC3)c2)CC1 ZINC000174641636 207039884 /nfs/dbraw/zinc/03/98/84/207039884.db2.gz VCNGIYCKSDIOGE-UHFFFAOYSA-N 2 0 344.503 1.650 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000262160082 139256238 /nfs/dbraw/zinc/25/62/38/139256238.db2.gz GXEVSHTZPHIMAW-GBESFXJTSA-N 2 0 348.450 1.991 20 0 EDADRP [NH3+]CCCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415568983 304227554 /nfs/dbraw/zinc/22/75/54/304227554.db2.gz PFULLVXHWKIEDQ-UHFFFAOYSA-N 2 0 346.475 1.509 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262257050 139264129 /nfs/dbraw/zinc/26/41/29/139264129.db2.gz LXZPUQDTONPYRX-INIZCTEOSA-N 2 0 333.480 1.152 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(F)c1 ZINC000416832071 251112429 /nfs/dbraw/zinc/11/24/29/251112429.db2.gz IETXIOBZVQQFMD-BHYGNILZSA-N 2 0 334.439 1.822 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H](CC[NH3+])C1)Cc1ccccc1 ZINC000416829698 251112888 /nfs/dbraw/zinc/11/28/88/251112888.db2.gz FXGRQESWTAKKCK-QZTJIDSGSA-N 2 0 332.492 1.930 20 0 EDADRP CN(C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1C[NH2+]C1 ZINC000416879774 251117609 /nfs/dbraw/zinc/11/76/09/251117609.db2.gz DFHTXEVAFVYURI-UHFFFAOYSA-N 2 0 336.867 1.918 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013672 251133441 /nfs/dbraw/zinc/13/34/41/251133441.db2.gz DAQIKGQHPNKMBW-INIZCTEOSA-N 2 0 333.480 1.106 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417020191 251134636 /nfs/dbraw/zinc/13/46/36/251134636.db2.gz MBRPTWQDCZVAJV-FUHWJXTLSA-N 2 0 345.491 1.330 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[NH2+]CC1 ZINC000416995801 251122723 /nfs/dbraw/zinc/12/27/23/251122723.db2.gz UCNRPOLWEACWFN-UHFFFAOYSA-N 2 0 334.464 1.522 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000417089890 251141261 /nfs/dbraw/zinc/14/12/61/251141261.db2.gz SGWMYQDQAVFFEU-IPMKNSEASA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000417173054 251143974 /nfs/dbraw/zinc/14/39/74/251143974.db2.gz KYVIRHPHOJRKIK-UONOGXRCSA-N 2 0 344.381 1.725 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417222551 251147903 /nfs/dbraw/zinc/14/79/03/251147903.db2.gz QGBVBKNAHSVBDJ-TWMKSMIVSA-N 2 0 336.524 1.994 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417222896 251148601 /nfs/dbraw/zinc/14/86/01/251148601.db2.gz RCVWMQQLEWYEIQ-KFWWJZLASA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1C[NH2+]C1 ZINC000262325623 139270422 /nfs/dbraw/zinc/27/04/22/139270422.db2.gz FZVGACWSTZZQMW-AWEZNQCLSA-N 2 0 331.460 1.115 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000417024240 251138844 /nfs/dbraw/zinc/13/88/44/251138844.db2.gz WYPHLHHAHPZQEM-INIZCTEOSA-N 2 0 338.496 1.115 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCO[C@@H](C[NH3+])C2)[NH+]2CCCC2)o1 ZINC000417415910 251167122 /nfs/dbraw/zinc/16/71/22/251167122.db2.gz GZIFZLFVFZCEMQ-LSDHHAIUSA-N 2 0 336.436 1.094 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NCC2=CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000417425637 251168289 /nfs/dbraw/zinc/16/82/89/251168289.db2.gz ZHCQSRDZCVNTKE-MRXNPFEDSA-N 2 0 332.448 1.944 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000417322633 251159366 /nfs/dbraw/zinc/15/93/66/251159366.db2.gz WEWXDWQXDTXWOK-JCGIZDLHSA-N 2 0 348.491 1.780 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417573698 251192536 /nfs/dbraw/zinc/19/25/36/251192536.db2.gz XPIIASUQSRYBMT-WMLDXEAASA-N 2 0 334.464 1.616 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262387043 139275273 /nfs/dbraw/zinc/27/52/73/139275273.db2.gz MEAUALILEQNVGT-OOHRUWKFSA-N 2 0 329.444 1.021 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594638 251202502 /nfs/dbraw/zinc/20/25/02/251202502.db2.gz WOIBDSKUOVBTID-APWZRJJASA-N 2 0 348.491 1.575 20 0 EDADRP C[C@@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](C)[NH3+] ZINC000417597524 251202634 /nfs/dbraw/zinc/20/26/34/251202634.db2.gz UAMMCJACALHBQD-LSDHHAIUSA-N 2 0 334.464 1.696 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)N(CC[NH3+])CCO)CCCC1)c1ccccc1 ZINC000417697393 251232468 /nfs/dbraw/zinc/23/24/68/251232468.db2.gz DRIABWHLABYLCA-MRXNPFEDSA-N 2 0 348.491 1.613 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000417667221 251220986 /nfs/dbraw/zinc/22/09/86/251220986.db2.gz GFUNCOBGTIJKRP-JYJNAYRXSA-N 2 0 326.485 1.175 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000417667355 251221189 /nfs/dbraw/zinc/22/11/89/251221189.db2.gz GJQGSEMAULDFSE-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[NH2+]C2)[C@@H](C)C1 ZINC000417667392 251221397 /nfs/dbraw/zinc/22/13/97/251221397.db2.gz GRIBJLVQQUXYSY-BBWFWOEESA-N 2 0 340.512 1.565 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])[C@H](C)C1 ZINC000417669851 251223385 /nfs/dbraw/zinc/22/33/85/251223385.db2.gz NCSNRHASSMSDET-WCXIOVBPSA-N 2 0 340.512 1.550 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H](C[NH3+])C2CCCCC2)CCSC1 ZINC000417827800 251285598 /nfs/dbraw/zinc/28/55/98/251285598.db2.gz OCVBUXMWQHURJW-GDBMZVCRSA-N 2 0 328.526 1.631 20 0 EDADRP C[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000417828517 251286900 /nfs/dbraw/zinc/28/69/00/251286900.db2.gz QHDYIKJPONPKMC-GOEBONIOSA-N 2 0 336.455 1.884 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417832301 251288395 /nfs/dbraw/zinc/28/83/95/251288395.db2.gz INGHRXMQAKQXMO-UHFFFAOYSA-N 2 0 346.475 1.299 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417813866 251281286 /nfs/dbraw/zinc/28/12/86/251281286.db2.gz AJSLJRHADIHZQR-PBHICJAKSA-N 2 0 339.443 1.494 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000417819199 251283055 /nfs/dbraw/zinc/28/30/55/251283055.db2.gz BNXPBUKBDUIMIX-HRCADAONSA-N 2 0 338.496 1.256 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000417991804 251319672 /nfs/dbraw/zinc/31/96/72/251319672.db2.gz LQCLHCHXZJGTQT-ZWKOTPCHSA-N 2 0 346.475 1.147 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418112830 251327434 /nfs/dbraw/zinc/32/74/34/251327434.db2.gz ZFKIZLLGZZPQGE-FGTMMUONSA-N 2 0 330.476 1.935 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)C1 ZINC000418424342 251367396 /nfs/dbraw/zinc/36/73/96/251367396.db2.gz GWGLFKMYRIKAKC-MSOLQXFVSA-N 2 0 348.491 1.829 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262629315 139291326 /nfs/dbraw/zinc/29/13/26/139291326.db2.gz DBOATRPQFGGDJS-RTBURBONSA-N 2 0 344.503 1.568 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262653207 139293366 /nfs/dbraw/zinc/29/33/66/139293366.db2.gz SNNFXLOEGQXOBH-ARFHVFGLSA-N 2 0 344.459 1.450 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701070 139297393 /nfs/dbraw/zinc/29/73/93/139297393.db2.gz IEGHNSAZGSZISW-HNAYVOBHSA-N 2 0 346.475 1.840 20 0 EDADRP Fc1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000420345284 251686679 /nfs/dbraw/zinc/68/66/79/251686679.db2.gz AJVDXPVQRRQVHP-CQSZACIVSA-N 2 0 327.831 1.837 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262832000 139306658 /nfs/dbraw/zinc/30/66/58/139306658.db2.gz VISKZZLECSJQCZ-HNNXBMFYSA-N 2 0 346.475 1.256 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000262848052 139307715 /nfs/dbraw/zinc/30/77/15/139307715.db2.gz UVOCDKLGMDWLKR-JKSUJKDBSA-N 2 0 333.480 1.612 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422881473 252009162 /nfs/dbraw/zinc/00/91/62/252009162.db2.gz NTVNTZGEVSITGW-YJBOKZPZSA-N 2 0 330.476 1.162 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000422881014 252010149 /nfs/dbraw/zinc/01/01/49/252010149.db2.gz MZVBYTRGVYWARV-ROUUACIJSA-N 2 0 330.476 1.291 20 0 EDADRP CC[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422884014 252010590 /nfs/dbraw/zinc/01/05/90/252010590.db2.gz RHJXVZGNYXSUEM-MSOLQXFVSA-N 2 0 331.508 1.844 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422889624 252011412 /nfs/dbraw/zinc/01/14/12/252011412.db2.gz PYRZVRBFXKOZHR-QFBILLFUSA-N 3 0 346.519 1.991 20 0 EDADRP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1C ZINC000423170022 252040908 /nfs/dbraw/zinc/04/09/08/252040908.db2.gz XDABOXOGQSUOMK-FUMNGEBKSA-N 2 0 332.488 1.954 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CC[NH2+]CC1 ZINC000423179549 252043495 /nfs/dbraw/zinc/04/34/95/252043495.db2.gz MLFSTFZOKGQFFV-PKOBYXMFSA-N 2 0 331.508 1.177 20 0 EDADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)c1 ZINC000422908650 252018113 /nfs/dbraw/zinc/01/81/13/252018113.db2.gz YXBONBSXNQPBAR-QGWWYQLQSA-N 2 0 333.476 1.863 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000422907756 252018623 /nfs/dbraw/zinc/01/86/23/252018623.db2.gz XJRYZJMXONZFRL-WDSOQIARSA-N 2 0 349.544 1.742 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])CCC[N@@H+]1C ZINC000423932227 252104650 /nfs/dbraw/zinc/10/46/50/252104650.db2.gz NSGXMCPGBVAPQN-PASDCYSWSA-N 2 0 347.507 1.827 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@@H](C[NH3+])C3)cc2)CC1 ZINC000424005352 252112777 /nfs/dbraw/zinc/11/27/77/252112777.db2.gz STCAIBFWMAQPNW-WMZOPIPTSA-N 2 0 344.503 1.885 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@H]([NH3+])CC3CCCCC3)C2)nn1 ZINC000424013937 252114235 /nfs/dbraw/zinc/11/42/35/252114235.db2.gz LBWKHFILTZAFOM-HZPDHXFCSA-N 2 0 334.468 1.198 20 0 EDADRP COCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000424024314 252117672 /nfs/dbraw/zinc/11/76/72/252117672.db2.gz XDAOTSJCFKZZSG-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP [NH3+]C1(CNC(=O)CC[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424025572 252118310 /nfs/dbraw/zinc/11/83/10/252118310.db2.gz ZLQAZAALQSVFKO-GOSISDBHSA-N 3 0 344.503 1.628 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423795951 252079012 /nfs/dbraw/zinc/07/90/12/252079012.db2.gz LABFFEMETFBFBU-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228219 252171648 /nfs/dbraw/zinc/17/16/48/252171648.db2.gz WFYKFDBUXYFWRI-KBPBESRZSA-N 2 0 331.464 1.523 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000424129710 252133595 /nfs/dbraw/zinc/13/35/95/252133595.db2.gz GNPIIYSWCBCDRB-HZPDHXFCSA-N 2 0 346.479 1.293 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424132152 252136271 /nfs/dbraw/zinc/13/62/71/252136271.db2.gz HGKAOHDOZSSBER-HUUCEWRRSA-N 2 0 336.484 1.443 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000262949349 139314725 /nfs/dbraw/zinc/31/47/25/139314725.db2.gz BMNWISPYBYRTQK-SFHVURJKSA-N 2 0 348.491 1.244 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c1 ZINC000424440675 252231926 /nfs/dbraw/zinc/23/19/26/252231926.db2.gz VGMALAXKCHKNHW-ZWKOTPCHSA-N 2 0 346.475 1.953 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000458370427 285034560 /nfs/dbraw/zinc/03/45/60/285034560.db2.gz PFHNWPYANGXLNH-FUHWJXTLSA-N 2 0 338.496 1.225 20 0 EDADRP COCCN1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422892916 285060704 /nfs/dbraw/zinc/06/07/04/285060704.db2.gz ZSUKGDADJBRZDD-WDYCEAGBSA-N 2 0 331.460 1.553 20 0 EDADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371109285 296363295 /nfs/dbraw/zinc/36/32/95/296363295.db2.gz VBIUJCTVUZEXAN-CVEARBPZSA-N 2 0 348.491 1.848 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn(CCCC[NH3+])nn1 ZINC000570283513 306535772 /nfs/dbraw/zinc/53/57/72/306535772.db2.gz VQHGREQEEUSBAH-UHFFFAOYSA-N 2 0 330.436 1.639 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC[NH2+]C1CCCCCC1 ZINC000415758436 304266767 /nfs/dbraw/zinc/26/67/67/304266767.db2.gz OWWWCYFLSAVVSO-UHFFFAOYSA-N 2 0 336.484 1.879 20 0 EDADRP CC(=O)Nc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000263757791 139358356 /nfs/dbraw/zinc/35/83/56/139358356.db2.gz UFLNYMJCCWCRBA-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2nccn21 ZINC000353731623 285248481 /nfs/dbraw/zinc/24/84/81/285248481.db2.gz XYAIBDIJPBPDOQ-IAGOWNOFSA-N 2 0 347.507 1.635 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCO[C@@H](C)C1 ZINC000345594073 285248646 /nfs/dbraw/zinc/24/86/46/285248646.db2.gz LUFSJXKFCZWADS-YESZJQIVSA-N 2 0 325.497 1.676 20 0 EDADRP O=C(/C=C\c1ccc[nH]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000492008600 255158761 /nfs/dbraw/zinc/15/87/61/255158761.db2.gz KBRGXINAELCLBE-PLNGDYQASA-N 2 0 339.443 1.751 20 0 EDADRP O=C(/C=C/c1ncc[nH]1)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000493464099 255209989 /nfs/dbraw/zinc/20/99/89/255209989.db2.gz XVIPYTRPYKGBIY-AATRIKPKSA-N 2 0 343.406 1.500 20 0 EDADRP CCN(C)C[C@H](O)C[N@H+]1C[C@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2C1 ZINC000496080927 255350389 /nfs/dbraw/zinc/35/03/89/255350389.db2.gz JXPZDMJKOVGVEW-PMPSAXMXSA-N 2 0 341.496 1.488 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415797719 304273384 /nfs/dbraw/zinc/27/33/84/304273384.db2.gz ZJEQHWYXZMFRQV-ZIAGYGMSSA-N 2 0 332.448 1.115 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000497308842 255486904 /nfs/dbraw/zinc/48/69/04/255486904.db2.gz XDVQVXSUMZFTRH-UHFFFAOYSA-N 2 0 340.512 1.658 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039007 285282458 /nfs/dbraw/zinc/28/24/58/285282458.db2.gz WLJFGLXNKIQOAI-KRWDZBQOSA-N 2 0 336.528 1.881 20 0 EDADRP CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000117343731 221055231 /nfs/dbraw/zinc/05/52/31/221055231.db2.gz YJYIEVNQDHIFSU-QZTJIDSGSA-N 2 0 339.524 1.972 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000458289126 285313979 /nfs/dbraw/zinc/31/39/79/285313979.db2.gz LTBYFPBZEDEBOG-OAHLLOKOSA-N 2 0 339.528 1.184 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000361368982 285316115 /nfs/dbraw/zinc/31/61/15/285316115.db2.gz VUYUBUUYGLVGMD-JKSUJKDBSA-N 2 0 331.451 1.683 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415977838 285322192 /nfs/dbraw/zinc/32/21/92/285322192.db2.gz YWKULIUHJOWHFE-MRXNPFEDSA-N 2 0 347.507 1.801 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000415908561 304284945 /nfs/dbraw/zinc/28/49/45/304284945.db2.gz QLERDRYXADWQQY-UHFFFAOYSA-N 2 0 334.464 1.717 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000415922875 304285583 /nfs/dbraw/zinc/28/55/83/304285583.db2.gz VDNMAHLVOKZMOQ-KRWDZBQOSA-N 2 0 334.464 1.620 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331352191 141010507 /nfs/dbraw/zinc/01/05/07/141010507.db2.gz ONKZEVRKCJCGIJ-IRXDYDNUSA-N 2 0 339.524 1.704 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(C(=O)OC)CC2)CC[NH2+]CC1 ZINC000497204998 285662961 /nfs/dbraw/zinc/66/29/61/285662961.db2.gz SZLCXMOJJHOOLO-CYBMUJFWSA-N 2 0 341.452 1.128 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000332536168 141198302 /nfs/dbraw/zinc/19/83/02/141198302.db2.gz IYTNEMGGVFWWNK-CABCVRRESA-N 2 0 347.463 1.405 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000332554560 141202237 /nfs/dbraw/zinc/20/22/37/141202237.db2.gz RFLPTEIGXIYRAC-UONOGXRCSA-N 2 0 333.436 1.062 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333194241 141279086 /nfs/dbraw/zinc/27/90/86/141279086.db2.gz SXIJRNZXCREOHE-HNNXBMFYSA-N 2 0 331.464 1.620 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000333426355 141316347 /nfs/dbraw/zinc/31/63/47/141316347.db2.gz TZJZOXGQTLLLJP-OAHLLOKOSA-N 2 0 340.537 1.871 20 0 EDADRP COCC1(CNC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC[NH2+]CC1 ZINC000333631559 141347870 /nfs/dbraw/zinc/34/78/70/141347870.db2.gz GQJSEDMREFQALV-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CCO1 ZINC000333641883 141349200 /nfs/dbraw/zinc/34/92/00/141349200.db2.gz XKFQHDLGNSVDJV-GHMZBOCLSA-N 2 0 333.358 1.471 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C[C@H]2[NH3+])cn1 ZINC000333656201 141351463 /nfs/dbraw/zinc/35/14/63/141351463.db2.gz ZWPFNCFJEVEZNM-LSDHHAIUSA-N 2 0 348.495 1.165 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000333719707 141365135 /nfs/dbraw/zinc/36/51/35/141365135.db2.gz UJEXARBZXBKBCO-OAHLLOKOSA-N 2 0 336.480 1.191 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000333737749 141369840 /nfs/dbraw/zinc/36/98/40/141369840.db2.gz XEBVSNZJJSIQAJ-ZFWWWQNUSA-N 2 0 337.493 1.501 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000333863138 141396438 /nfs/dbraw/zinc/39/64/38/141396438.db2.gz QJAIGBVPNMOEMD-PKOBYXMFSA-N 2 0 343.471 1.794 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339613488 142093853 /nfs/dbraw/zinc/09/38/53/142093853.db2.gz GCSZBYIUYQPNAC-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339742853 142141113 /nfs/dbraw/zinc/14/11/13/142141113.db2.gz LMSKEQOZUJAVQP-OAHLLOKOSA-N 2 0 348.491 1.211 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cn2ccnc12 ZINC000340037861 142243744 /nfs/dbraw/zinc/24/37/44/142243744.db2.gz MHEYRYGSNJJFNV-CQSZACIVSA-N 2 0 329.404 1.038 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[C@H](C)[NH+]2CCCCC2)C1 ZINC000345714704 143124728 /nfs/dbraw/zinc/12/47/28/143124728.db2.gz BNKBQNMDOCZNRB-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000346246690 143183213 /nfs/dbraw/zinc/18/32/13/143183213.db2.gz UINZVKLQERGLHE-NSHDSACASA-N 2 0 330.366 1.680 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3C[C@H](C(N)=O)[C@H](C)C3)c2cc1C ZINC000346585778 143219206 /nfs/dbraw/zinc/21/92/06/143219206.db2.gz MDSWRAYPNYQEHH-KFWWJZLASA-N 2 0 330.432 1.067 20 0 EDADRP COC(=O)[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000346610785 143221920 /nfs/dbraw/zinc/22/19/20/143221920.db2.gz DMJDNXHYKZDMHY-UAGQMJEPSA-N 2 0 347.459 1.289 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[N@H+](C)C1 ZINC000346661139 143228046 /nfs/dbraw/zinc/22/80/46/143228046.db2.gz ONIYUFSCACYJNW-ARFHVFGLSA-N 2 0 326.485 1.079 20 0 EDADRP COCCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000346736893 143239941 /nfs/dbraw/zinc/23/99/41/143239941.db2.gz CGBGYNBUASDCQZ-UHFFFAOYSA-N 2 0 334.464 1.527 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(Cl)c1 ZINC000347110657 143283745 /nfs/dbraw/zinc/28/37/45/143283745.db2.gz PONLFWDMTHFKAG-CYBMUJFWSA-N 2 0 325.840 1.636 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000347703147 143351894 /nfs/dbraw/zinc/35/18/94/143351894.db2.gz KNNOTTHTMLGESI-KRWDZBQOSA-N 2 0 339.524 1.829 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000347875478 143373402 /nfs/dbraw/zinc/37/34/02/143373402.db2.gz MCGBSNDFJDFINB-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC[N@H+](C)C1CC1 ZINC000264904653 149048096 /nfs/dbraw/zinc/04/80/96/149048096.db2.gz VNRYKTRCABOREV-UHFFFAOYSA-N 2 0 336.455 1.993 20 0 EDADRP CN(C)Cc1cnc(CNCc2ccnc(OCC[NH+](C)C)c2)s1 ZINC000352776591 149161439 /nfs/dbraw/zinc/16/14/39/149161439.db2.gz SXPSIPQFOVBBRD-UHFFFAOYSA-N 3 0 349.504 1.830 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000352866530 149195290 /nfs/dbraw/zinc/19/52/90/149195290.db2.gz MIORGCMLWXTRDK-LJQANCHMSA-N 2 0 345.487 1.859 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2nccnc2c1 ZINC000352940850 149223237 /nfs/dbraw/zinc/22/32/37/149223237.db2.gz KIJOMBYPHYCGEX-UHFFFAOYSA-N 2 0 344.463 1.370 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H](C[NH3+])CC(C)C)[NH+]1CCOCC1 ZINC000416961519 304355584 /nfs/dbraw/zinc/35/55/84/304355584.db2.gz SIGSPVTXCYMVOJ-DLBZAZTESA-N 2 0 342.528 1.796 20 0 EDADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353394425 149390372 /nfs/dbraw/zinc/39/03/72/149390372.db2.gz CTWSOYMHSIADCD-ROUUACIJSA-N 2 0 327.472 1.910 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000416966405 304356614 /nfs/dbraw/zinc/35/66/14/304356614.db2.gz YFPJMHMXQGTLGM-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000416966240 304356835 /nfs/dbraw/zinc/35/68/35/304356835.db2.gz FIDNJZZWZWHZKM-UHFFFAOYSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000416969984 304357196 /nfs/dbraw/zinc/35/71/96/304357196.db2.gz MJDYIBIBSUSRPP-KRWDZBQOSA-N 2 0 348.491 1.897 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000416970330 304357437 /nfs/dbraw/zinc/35/74/37/304357437.db2.gz DZABCTCBSZWXCR-MRXNPFEDSA-N 2 0 330.476 1.963 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000416969876 304357482 /nfs/dbraw/zinc/35/74/82/304357482.db2.gz LRRGXATXLLWWKV-INIZCTEOSA-N 2 0 334.464 1.426 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000416968245 304357151 /nfs/dbraw/zinc/35/71/51/304357151.db2.gz ACGLURXBYJVQLD-GOSISDBHSA-N 2 0 330.476 1.730 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000416980627 304360713 /nfs/dbraw/zinc/36/07/13/304360713.db2.gz YZNFUSOQVHXZTC-SJORKVTESA-N 2 0 346.475 1.663 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354882432 150009339 /nfs/dbraw/zinc/00/93/39/150009339.db2.gz LDPHIEWIBPNQDZ-MRXNPFEDSA-N 2 0 337.508 1.749 20 0 EDADRP CC[C@@H](C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)[NH+](CC)CC ZINC000354986550 150065938 /nfs/dbraw/zinc/06/59/38/150065938.db2.gz ZHJRXVWOFDIULP-AEFFLSMTSA-N 2 0 338.540 1.734 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(CCCO)CC1)c1ccccc1 ZINC000355050747 150092538 /nfs/dbraw/zinc/09/25/38/150092538.db2.gz HMDABZMDSPAMLM-LJQANCHMSA-N 2 0 347.503 1.890 20 0 EDADRP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1[NH+](C)C ZINC000355056891 150095512 /nfs/dbraw/zinc/09/55/12/150095512.db2.gz MXFGIHNEDCNMBZ-BPQIPLTHSA-N 2 0 332.492 1.287 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417027667 304362005 /nfs/dbraw/zinc/36/20/05/304362005.db2.gz UFSXLLSNCLLIRW-MSOLQXFVSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)[C@H](C)C1 ZINC000355628905 150343339 /nfs/dbraw/zinc/34/33/39/150343339.db2.gz CTABKWFVCOQSRU-PMPSAXMXSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417044675 304365869 /nfs/dbraw/zinc/36/58/69/304365869.db2.gz NIJFGWICQILFGV-ZIAGYGMSSA-N 2 0 332.439 1.937 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000417049685 304366733 /nfs/dbraw/zinc/36/67/33/304366733.db2.gz HFGLQNPEJYVBSJ-QGZVFWFLSA-N 2 0 345.491 1.168 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000357407936 151022765 /nfs/dbraw/zinc/02/27/65/151022765.db2.gz FXQKECVMXMPULD-CRAIPNDOSA-N 2 0 331.460 1.731 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+](C)C)cc1 ZINC000357597392 151080065 /nfs/dbraw/zinc/08/00/65/151080065.db2.gz QMIRJBRTWFBVOX-CQSZACIVSA-N 2 0 334.464 1.533 20 0 EDADRP CCOCCOC[C@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000357878137 151181949 /nfs/dbraw/zinc/18/19/49/151181949.db2.gz OOCJHFPAPHILPN-GOSISDBHSA-N 2 0 328.497 1.787 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000357972941 151216835 /nfs/dbraw/zinc/21/68/35/151216835.db2.gz KQEUFOCOCDBVCF-GDBMZVCRSA-N 2 0 330.542 1.843 20 0 EDADRP CCc1nc2ccccc2n1CC(=O)N[C@@H](C)CCN1CCOCC1 ZINC000358034561 151241425 /nfs/dbraw/zinc/24/14/25/151241425.db2.gz AAKZPLISEMNKGL-HNNXBMFYSA-N 2 0 344.459 1.826 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358049398 151247853 /nfs/dbraw/zinc/24/78/53/151247853.db2.gz RSAFAZAGGHLQHR-HNAYVOBHSA-N 2 0 344.503 1.550 20 0 EDADRP COCC1(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417323962 292243336 /nfs/dbraw/zinc/24/33/36/292243336.db2.gz IBJFIYNEWMURBL-HZPDHXFCSA-N 2 0 340.512 1.422 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000358281946 151325258 /nfs/dbraw/zinc/32/52/58/151325258.db2.gz WWYIKYBJXMZLQZ-CQSZACIVSA-N 2 0 334.464 1.906 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358445023 151378777 /nfs/dbraw/zinc/37/87/77/151378777.db2.gz KIURJHTWKNDNJB-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670663 152146532 /nfs/dbraw/zinc/14/65/32/152146532.db2.gz YLMAOGXBNQYCLE-YOEHRIQHSA-N 2 0 340.537 1.740 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000360886069 152241741 /nfs/dbraw/zinc/24/17/41/152241741.db2.gz FMHSRVAGBFIUAO-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1cn(C)nc1C(F)F)N1CC[NH+](C)CC1 ZINC000360964229 152265330 /nfs/dbraw/zinc/26/53/30/152265330.db2.gz OJXOCSXFHGGPRH-CQSZACIVSA-N 2 0 329.439 1.719 20 0 EDADRP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000361183235 152328671 /nfs/dbraw/zinc/32/86/71/152328671.db2.gz QMWXFRUJFZQHCF-WMLDXEAASA-N 2 0 331.460 1.860 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4CC[NH2+][C@H]4C3)cc2)CC1 ZINC000370157735 155353204 /nfs/dbraw/zinc/35/32/04/155353204.db2.gz CEBZYFRHCPKESQ-LPHOPBHVSA-N 2 0 342.487 1.653 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CC12CC[NH2+]CC2 ZINC000370163759 155357712 /nfs/dbraw/zinc/35/77/12/155357712.db2.gz QHAODVUNYIHOBU-CABCVRRESA-N 2 0 333.480 1.229 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000362079294 152607439 /nfs/dbraw/zinc/60/74/39/152607439.db2.gz TXYYOUORGLZQCQ-CVEARBPZSA-N 2 0 338.496 1.080 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000417182796 304381428 /nfs/dbraw/zinc/38/14/28/304381428.db2.gz JKDXUIFQZJZHSF-ZWKOTPCHSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000363982838 153114542 /nfs/dbraw/zinc/11/45/42/153114542.db2.gz KDRAVIGMXVMHIP-INIZCTEOSA-N 2 0 339.443 1.859 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@]2(CCC[C@@H]2[NH3+])C1 ZINC000364196322 153170409 /nfs/dbraw/zinc/17/04/09/153170409.db2.gz QHODXNIIAHLGOB-PKOBYXMFSA-N 2 0 331.460 1.971 20 0 EDADRP CO[C@@H]1[C@@H](C)[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000364854371 153352318 /nfs/dbraw/zinc/35/23/18/153352318.db2.gz KJCLSISSVXZCSL-BHYGNILZSA-N 2 0 345.491 1.522 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417234160 304386680 /nfs/dbraw/zinc/38/66/80/304386680.db2.gz UMHRIRFMQRCYJF-IAGOWNOFSA-N 2 0 334.464 1.266 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000367284023 154066217 /nfs/dbraw/zinc/06/62/17/154066217.db2.gz CBXCUCVEIXKFNA-RTBURBONSA-N 2 0 339.524 1.879 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648626 154212014 /nfs/dbraw/zinc/21/20/14/154212014.db2.gz KIQKTTMCAMJQKE-OTWHNJEPSA-N 2 0 345.487 1.564 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1C[C@H]1Cc2ccccc21 ZINC000367894461 154316483 /nfs/dbraw/zinc/31/64/83/154316483.db2.gz CZFIBEPHQPXOQX-QRQLOZEOSA-N 2 0 329.488 1.663 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000417345059 304393181 /nfs/dbraw/zinc/39/31/81/304393181.db2.gz SUGJZSXIXQKQAX-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000417345478 304393341 /nfs/dbraw/zinc/39/33/41/304393341.db2.gz ULHLOCRZXQJBJN-ZYSHUDEJSA-N 2 0 342.487 1.969 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cn(CC[NH3+])nn1 ZINC000574652581 306655334 /nfs/dbraw/zinc/65/53/34/306655334.db2.gz RVBOMZFVQYZPCP-UHFFFAOYSA-N 2 0 346.435 1.210 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCn2ccnc2C1 ZINC000369566451 155089886 /nfs/dbraw/zinc/08/98/86/155089886.db2.gz CPOPOVQXTOTLDU-BZUAXINKSA-N 2 0 333.480 1.865 20 0 EDADRP COCCN1CCN(C(=O)[C@]2(N(C)C)CCOc3ccccc32)CC1 ZINC000369598857 155104193 /nfs/dbraw/zinc/10/41/93/155104193.db2.gz FHHGAYWLLVMBOR-IBGZPJMESA-N 2 0 347.459 1.017 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)c1 ZINC000417392206 304396143 /nfs/dbraw/zinc/39/61/43/304396143.db2.gz BBCZBFVNARNKQL-HNNXBMFYSA-N 2 0 340.418 1.935 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000417486708 304399779 /nfs/dbraw/zinc/39/97/79/304399779.db2.gz YYEYELSBLJHEPZ-HZPDHXFCSA-N 2 0 348.491 1.909 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360406598 292336140 /nfs/dbraw/zinc/33/61/40/292336140.db2.gz OCHQALVBUOPJQJ-GVDBMIGSSA-N 2 0 338.496 1.080 20 0 EDADRP C[C@@H]1C[C@]2(C[C@@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000371960254 156184731 /nfs/dbraw/zinc/18/47/31/156184731.db2.gz NXGRGMROSYQVNV-LMMKCTJWSA-N 2 0 339.524 1.924 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000371968754 156189315 /nfs/dbraw/zinc/18/93/15/156189315.db2.gz DWECBGPWJLRVDY-IXDOHACOSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000417531870 304403936 /nfs/dbraw/zinc/40/39/36/304403936.db2.gz VDDHYMYGEZBMIQ-CVEARBPZSA-N 2 0 348.491 1.561 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373899275 157055938 /nfs/dbraw/zinc/05/59/38/157055938.db2.gz JQGFNBCXZGXROY-QGZVFWFLSA-N 2 0 343.537 1.799 20 0 EDADRP COC(=O)[C@@H](CC(C)C)NC(=O)CN1CCC(c2c[nH]cn2)CC1 ZINC000374201370 157191593 /nfs/dbraw/zinc/19/15/93/157191593.db2.gz VDCRDLLQYVHBGL-CQSZACIVSA-N 2 0 336.436 1.293 20 0 EDADRP C[C@H]1CN(CC(=O)N(C)c2ccccc2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374327800 157245546 /nfs/dbraw/zinc/24/55/46/157245546.db2.gz XGJPXLFGMNNZBT-HKUYNNGSSA-N 2 0 344.503 1.607 20 0 EDADRP C[N@H+](CC[C@H]1CCOC1=O)C1CCN(CCc2ccncc2)CC1 ZINC000374750132 157386708 /nfs/dbraw/zinc/38/67/08/157386708.db2.gz LWBLANPIPYUASP-KRWDZBQOSA-N 2 0 331.460 1.974 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1OC[C@@H]2CCC[C@H]21 ZINC000377934909 158033651 /nfs/dbraw/zinc/03/36/51/158033651.db2.gz CKEJUTCOHWKNMH-GVDBMIGSSA-N 2 0 325.497 1.534 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378123574 158084919 /nfs/dbraw/zinc/08/49/19/158084919.db2.gz ZLVZADDVLKMCIW-AEFFLSMTSA-N 2 0 347.507 1.828 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000378185145 158103404 /nfs/dbraw/zinc/10/34/04/158103404.db2.gz RKYFAQSTJOUWHU-AKNDPVLGSA-N 2 0 343.537 1.651 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CCCCCC2)CC1 ZINC000378203882 158107397 /nfs/dbraw/zinc/10/73/97/158107397.db2.gz SUCUOAIQYISRKF-DLBZAZTESA-N 2 0 336.524 1.570 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)[C@@H]3CCCC[NH2+]3)CCCCCC2)CC1 ZINC000378205259 158108616 /nfs/dbraw/zinc/10/86/16/158108616.db2.gz ZXICHHDPATWVOA-KRWDZBQOSA-N 2 0 336.524 1.585 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000378211073 158110997 /nfs/dbraw/zinc/11/09/97/158110997.db2.gz ZDOLLILBZVPPGX-KRWDZBQOSA-N 2 0 335.496 1.814 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000378211074 158111480 /nfs/dbraw/zinc/11/14/80/158111480.db2.gz ZDOLLILBZVPPGX-QGZVFWFLSA-N 2 0 335.496 1.814 20 0 EDADRP Cc1cccc(C[N@H+]2CCCC[C@H]2C(=O)NC[C@@](C)(O)C[NH+](C)C)c1 ZINC000378238336 158118220 /nfs/dbraw/zinc/11/82/20/158118220.db2.gz KVZPIDDMUXEBMQ-AZUAARDMSA-N 2 0 347.503 1.778 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000352149637 162014715 /nfs/dbraw/zinc/01/47/15/162014715.db2.gz UKBBHXJHLJUKFC-LZWOXQAQSA-N 2 0 334.464 1.369 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000352333466 162123008 /nfs/dbraw/zinc/12/30/08/162123008.db2.gz QZFGGZSSEMFHMI-INIZCTEOSA-N 2 0 333.542 1.758 20 0 EDADRP CO[C@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000366454789 162384577 /nfs/dbraw/zinc/38/45/77/162384577.db2.gz KDNDBCUQPOYWDM-GOSISDBHSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000179853687 287085633 /nfs/dbraw/zinc/08/56/33/287085633.db2.gz ISVHQKRNOIUARZ-QAPCUYQASA-N 2 0 333.476 1.280 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000418191609 304462722 /nfs/dbraw/zinc/46/27/22/304462722.db2.gz KZPGOAOGZLXOMF-INIZCTEOSA-N 2 0 349.479 1.353 20 0 EDADRP Cc1c(C(=O)NCC2([NH3+])CCCCCC2)nnn1C1CC[NH2+]CC1 ZINC000122335494 222064572 /nfs/dbraw/zinc/06/45/72/222064572.db2.gz LHLMNPWARMXGOB-UHFFFAOYSA-N 2 0 334.468 1.293 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418481647 304500931 /nfs/dbraw/zinc/50/09/31/304500931.db2.gz YHVZMTYEPKTWMS-CVEARBPZSA-N 3 0 327.517 1.029 20 0 EDADRP C[C@@H]1COCCN1CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000192790686 272986503 /nfs/dbraw/zinc/98/65/03/272986503.db2.gz NBDGOEZIWABTFQ-GOSISDBHSA-N 2 0 339.524 1.532 20 0 EDADRP Cc1ccc(NC(=O)/C=C/C[NH+](C)C)cc1NC(=O)CC[NH+](C)C ZINC000274394715 268134161 /nfs/dbraw/zinc/13/41/61/268134161.db2.gz JDMARQCILZLUJW-VOTSOKGWSA-N 2 0 332.448 1.942 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)C[NH+](C)Cc1ccccc1 ZINC000274618551 268169318 /nfs/dbraw/zinc/16/93/18/268169318.db2.gz FDLAAFHBQZXISG-MRXNPFEDSA-N 2 0 336.480 1.120 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC2(C1)CCOCC2)c1ccccc1 ZINC000274681477 268183212 /nfs/dbraw/zinc/18/32/12/268183212.db2.gz XAEBTVOJBNGVRG-SFHVURJKSA-N 2 0 345.487 1.908 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000273108445 273028867 /nfs/dbraw/zinc/02/88/67/273028867.db2.gz QUEMWHHFBJANEF-QZTJIDSGSA-N 2 0 347.503 1.982 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000275558926 268360477 /nfs/dbraw/zinc/36/04/77/268360477.db2.gz AQPOFBMMWUUTKJ-QGZVFWFLSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000275572971 268362567 /nfs/dbraw/zinc/36/25/67/268362567.db2.gz COSPGHLIDBSBPE-QGZVFWFLSA-N 2 0 334.464 1.311 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000275843735 268377372 /nfs/dbraw/zinc/37/73/72/268377372.db2.gz MSPDOMFVQOHBSU-UHFFFAOYSA-N 2 0 344.459 1.107 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276742835 268468757 /nfs/dbraw/zinc/46/87/57/268468757.db2.gz ZMYLRKQBODSBQI-GOSISDBHSA-N 2 0 333.476 1.461 20 0 EDADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000275809419 273129763 /nfs/dbraw/zinc/12/97/63/273129763.db2.gz DXBMKBDLKPHDQY-SFHVURJKSA-N 2 0 343.475 1.764 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000178116609 272943063 /nfs/dbraw/zinc/94/30/63/272943063.db2.gz GAJQFPXYTZNZDQ-KRWDZBQOSA-N 2 0 331.460 1.543 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCC(=O)Nc1ccccc1 ZINC000155084208 287654964 /nfs/dbraw/zinc/65/49/64/287654964.db2.gz PZPGELRSCDRDCY-UHFFFAOYSA-N 2 0 349.479 1.150 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1Cc2ccccc2C[NH2+]1)Cc1ccccc1 ZINC000237149732 273804772 /nfs/dbraw/zinc/80/47/72/273804772.db2.gz HRAWTRXBAIZUCH-WOJBJXKFSA-N 2 0 337.467 1.990 20 0 EDADRP CC(C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCC(C)CC1 ZINC000188720282 275700066 /nfs/dbraw/zinc/70/00/66/275700066.db2.gz HGHUAMARXOWAJD-INIZCTEOSA-N 2 0 333.480 1.542 20 0 EDADRP CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352187864 276137838 /nfs/dbraw/zinc/13/78/38/276137838.db2.gz VHOGQTXIDUQAJA-LZLYRXPVSA-N 2 0 333.476 1.468 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266840487 276195503 /nfs/dbraw/zinc/19/55/03/276195503.db2.gz NQJVIVJDVXFTHC-QGZVFWFLSA-N 2 0 332.492 1.261 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420129784 276307329 /nfs/dbraw/zinc/30/73/29/276307329.db2.gz QBVSZDHOAPTQET-GOEBONIOSA-N 2 0 346.475 1.123 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328388 277288892 /nfs/dbraw/zinc/28/88/92/277288892.db2.gz FVXYOSWJSYGVPO-DOTOQJQBSA-N 2 0 339.505 1.426 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)[NH+](C)C)c1 ZINC000359375669 278019936 /nfs/dbraw/zinc/01/99/36/278019936.db2.gz PNKSCGOIWFCPKV-CRAIPNDOSA-N 2 0 346.475 1.834 20 0 EDADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC[NH2+]1 ZINC000333370216 278301074 /nfs/dbraw/zinc/30/10/74/278301074.db2.gz MIGSWNZDYIRZDJ-HZPDHXFCSA-N 2 0 338.496 1.148 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422839970 278357539 /nfs/dbraw/zinc/35/75/39/278357539.db2.gz RPZSBIWTTOMIOL-IRXDYDNUSA-N 3 0 338.540 1.720 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000376256635 279142932 /nfs/dbraw/zinc/14/29/32/279142932.db2.gz GHSDXYUGDCORLK-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000155126748 279312411 /nfs/dbraw/zinc/31/24/11/279312411.db2.gz YZTXNXGBESKEDK-CVEARBPZSA-N 2 0 328.464 1.554 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCC[C@H]([NH3+])C3)CC2)C[C@H](C)O1 ZINC000262284741 288151844 /nfs/dbraw/zinc/15/18/44/288151844.db2.gz LYHCRDQTHQJEME-ATLSCFEFSA-N 2 0 337.508 1.852 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000420340154 279764877 /nfs/dbraw/zinc/76/48/77/279764877.db2.gz SASPGKMRCWZPSZ-BZSNNMDCSA-N 2 0 335.492 1.620 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000359269582 280097508 /nfs/dbraw/zinc/09/75/08/280097508.db2.gz YWTCOHWUNYYAKD-OAGGEKHMSA-N 2 0 340.512 1.212 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@@H](C)C1 ZINC000287308519 288206205 /nfs/dbraw/zinc/20/62/05/288206205.db2.gz DWVFOGGAVNOWNJ-WMLDXEAASA-N 2 0 329.444 1.993 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000287459624 288242756 /nfs/dbraw/zinc/24/27/56/288242756.db2.gz GZQYTAJNGWIJNL-HZPDHXFCSA-N 2 0 348.491 1.345 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290043494 288827509 /nfs/dbraw/zinc/82/75/09/288827509.db2.gz GRUGYPQFEYDYBQ-ROUUACIJSA-N 2 0 342.487 1.267 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000290245001 288865149 /nfs/dbraw/zinc/86/51/49/288865149.db2.gz VUJQZSDIFJVBID-RBUKOAKNSA-N 2 0 345.487 1.648 20 0 EDADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182957690 289322400 /nfs/dbraw/zinc/32/24/00/289322400.db2.gz LSUFVLJQWNNNDF-OKZBNKHCSA-N 2 0 338.540 1.734 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000353677113 289483855 /nfs/dbraw/zinc/48/38/55/289483855.db2.gz YPQKCVRIRNCDDF-CABCVRRESA-N 2 0 346.475 1.694 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422782199 293095925 /nfs/dbraw/zinc/09/59/25/293095925.db2.gz FYKRGDDEGIDCJB-KRWDZBQOSA-N 3 0 326.529 1.280 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000377124496 295250812 /nfs/dbraw/zinc/25/08/12/295250812.db2.gz FQGNGUOULCFZTG-DOTOQJQBSA-N 2 0 333.480 1.616 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1C ZINC000347957285 297268658 /nfs/dbraw/zinc/26/86/58/297268658.db2.gz CUYPLKHUETVRQE-ILXRZTDVSA-N 2 0 340.512 1.068 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418630034 304521347 /nfs/dbraw/zinc/52/13/47/304521347.db2.gz DSUTZVQTIFKIGD-FUHWJXTLSA-N 2 0 330.476 1.999 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418630378 304521391 /nfs/dbraw/zinc/52/13/91/304521391.db2.gz FLRVQAXPLWSEEC-SFHVURJKSA-N 2 0 330.476 1.857 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418645239 304524369 /nfs/dbraw/zinc/52/43/69/304524369.db2.gz CZAJWAUOOGFKPZ-GOSISDBHSA-N 2 0 348.491 1.788 20 0 EDADRP [NH3+]CCCNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419197381 304577252 /nfs/dbraw/zinc/57/72/52/304577252.db2.gz AZQRHNWMMNASMV-UHFFFAOYSA-N 2 0 346.475 1.144 20 0 EDADRP C[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@@H+]1CC(C)(C)O ZINC000457758217 300120636 /nfs/dbraw/zinc/12/06/36/300120636.db2.gz QHCAFRBGJSCQMF-HNNXBMFYSA-N 2 0 337.508 1.555 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564590 300316007 /nfs/dbraw/zinc/31/60/07/300316007.db2.gz SVPLBUKYORFVKB-GOEBONIOSA-N 2 0 337.489 1.605 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717394 304670028 /nfs/dbraw/zinc/67/00/28/304670028.db2.gz BCNBKNNVSONQTL-TZMCWYRMSA-N 2 0 338.496 1.140 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[NH+]2CCCC2)o1 ZINC000372842346 447311505 /nfs/dbraw/zinc/31/15/05/447311505.db2.gz OYOLYVGZMSZRRS-DLBZAZTESA-N 2 0 346.475 1.231 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000662464638 453174746 /nfs/dbraw/zinc/17/47/46/453174746.db2.gz AHRZPRJNBIUINQ-AWEZNQCLSA-N 2 0 343.855 1.971 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000333376302 300722158 /nfs/dbraw/zinc/72/21/58/300722158.db2.gz NBORVDGUPXAEES-JENIJYKNSA-N 2 0 331.460 1.605 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000419655650 447323596 /nfs/dbraw/zinc/32/35/96/447323596.db2.gz UECGUJAMRSNASK-OFQRWUPVSA-N 2 0 346.475 1.038 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294490078 303115077 /nfs/dbraw/zinc/11/50/77/303115077.db2.gz BCBWODNMAJCTES-AWEZNQCLSA-N 2 0 332.448 1.133 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H](c1cccs1)N1CCOCC1 ZINC000295248371 303194235 /nfs/dbraw/zinc/19/42/35/303194235.db2.gz UABARQGVUJPWMC-CABCVRRESA-N 2 0 339.505 1.968 20 0 EDADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)CC[NH3+] ZINC000295677430 303251325 /nfs/dbraw/zinc/25/13/25/303251325.db2.gz KRPFZYOCTSXSMV-INIZCTEOSA-N 2 0 327.432 1.926 20 0 EDADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414863865 447332875 /nfs/dbraw/zinc/33/28/75/447332875.db2.gz JKGNKUYVAQPIFH-UHFFFAOYSA-N 2 0 349.429 1.762 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419671751 447335928 /nfs/dbraw/zinc/33/59/28/447335928.db2.gz YSPIUFQIZOLHJF-JKSUJKDBSA-N 2 0 340.512 1.116 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000422601748 304873826 /nfs/dbraw/zinc/87/38/26/304873826.db2.gz YMMDXNZIDFPNIF-UHFFFAOYSA-N 2 0 348.491 1.570 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000422723459 304879435 /nfs/dbraw/zinc/87/94/35/304879435.db2.gz RKTVORWJXGBFPF-HOTGVXAUSA-N 3 0 325.497 1.629 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000422920304 304880336 /nfs/dbraw/zinc/88/03/36/304880336.db2.gz MFUUERJGRZFXQO-BSDSXHPESA-N 2 0 331.460 1.487 20 0 EDADRP O=C(c1ccccc1)N1C[C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CC[C@H]1C2 ZINC000422997969 304882708 /nfs/dbraw/zinc/88/27/08/304882708.db2.gz VUJMAFPESUACJE-FHWLQOOXSA-N 2 0 342.487 1.317 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000423331442 304892711 /nfs/dbraw/zinc/89/27/11/304892711.db2.gz OJQHTZFXLLUWCI-GOSISDBHSA-N 2 0 331.460 1.708 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423490669 304897348 /nfs/dbraw/zinc/89/73/48/304897348.db2.gz XWXUMYJDVXHWPF-HIFRSBDPSA-N 2 0 325.478 1.778 20 0 EDADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CC[NH+](C2CCCCC2)CC1 ZINC000423709324 304905131 /nfs/dbraw/zinc/90/51/31/304905131.db2.gz IIQSXSZCJLKJLB-HNNXBMFYSA-N 2 0 346.479 1.121 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H]1CCC[NH2+]C1 ZINC000423730901 304906647 /nfs/dbraw/zinc/90/66/47/304906647.db2.gz NSGHHXPCSDVLCH-HZPDHXFCSA-N 2 0 345.491 1.798 20 0 EDADRP c1c(C[NH2+][C@H]2CCCN(c3cccnn3)C2)onc1C1CC[NH2+]CC1 ZINC000425893979 304976324 /nfs/dbraw/zinc/97/63/24/304976324.db2.gz FCTMQYGHCKTHQB-HNNXBMFYSA-N 2 0 342.447 1.690 20 0 EDADRP COC1(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)CCOCC1 ZINC000428855991 305019203 /nfs/dbraw/zinc/01/92/03/305019203.db2.gz KUMXLLYWYUMXFL-UHFFFAOYSA-N 2 0 325.497 1.330 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000429541883 305031670 /nfs/dbraw/zinc/03/16/70/305031670.db2.gz PPOZUTRLJGEUDS-QZTJIDSGSA-N 2 0 336.476 1.989 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CCOc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000430627457 305059919 /nfs/dbraw/zinc/05/99/19/305059919.db2.gz NHLNOWFRNHPQOA-OAHLLOKOSA-N 2 0 335.423 1.348 20 0 EDADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000430632410 305060474 /nfs/dbraw/zinc/06/04/74/305060474.db2.gz XKCULBGHUCMGDM-HZPDHXFCSA-N 2 0 346.475 1.417 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430632371 305060487 /nfs/dbraw/zinc/06/04/87/305060487.db2.gz XDLQOQMXIDEFNZ-ZOBUZTSGSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+]C1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000430638366 305060712 /nfs/dbraw/zinc/06/07/12/305060712.db2.gz FSCFLOSOMOCEAP-UHFFFAOYSA-N 2 0 348.516 1.597 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000430642425 305061030 /nfs/dbraw/zinc/06/10/30/305061030.db2.gz KKBUJPMESDMYMY-INIZCTEOSA-N 2 0 344.459 1.159 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000430701333 305062668 /nfs/dbraw/zinc/06/26/68/305062668.db2.gz DLCCNDNURCZYDE-RBUKOAKNSA-N 2 0 345.487 1.564 20 0 EDADRP O=C(COC1C[NH2+]C1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000430700317 305062782 /nfs/dbraw/zinc/06/27/82/305062782.db2.gz RPZFKSVFHWOAGW-HXUWFJFHSA-N 2 0 343.471 1.490 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000430774832 305064590 /nfs/dbraw/zinc/06/45/90/305064590.db2.gz GZZPUXPFVBHXQZ-AWEZNQCLSA-N 2 0 334.468 1.007 20 0 EDADRP COc1ccccc1[C@@H](N)C(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000430803989 305064968 /nfs/dbraw/zinc/06/49/68/305064968.db2.gz WOPQLNJJTSGPTC-MAUKXSAKSA-N 2 0 331.460 1.885 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC3(CC[NH2+]C3)CC2)c1C ZINC000430927328 305068634 /nfs/dbraw/zinc/06/86/34/305068634.db2.gz IGAXETSEJLEDJI-UHFFFAOYSA-N 2 0 334.464 1.639 20 0 EDADRP C[NH2+]C[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000430963996 305071201 /nfs/dbraw/zinc/07/12/01/305071201.db2.gz CGSPNRCTJCQURF-INIZCTEOSA-N 2 0 348.466 1.406 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)C[NH+](C)[C@H]2CCSC2)CCCO1 ZINC000432551697 305093660 /nfs/dbraw/zinc/09/36/60/305093660.db2.gz HYQOQYPCOZYQMQ-GJZGRUSLSA-N 2 0 329.510 1.041 20 0 EDADRP COC(=O)c1ccc(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433112554 305100533 /nfs/dbraw/zinc/10/05/33/305100533.db2.gz BJVAZYSJRJOIGJ-UHFFFAOYSA-N 2 0 347.459 1.335 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCOC[C@H]2c2ccccc2)CC1 ZINC000433116562 305100793 /nfs/dbraw/zinc/10/07/93/305100793.db2.gz MJPFNDNHOSJUFU-SFHVURJKSA-N 2 0 331.460 1.790 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000433147469 305101676 /nfs/dbraw/zinc/10/16/76/305101676.db2.gz OQHCMJPTIHRSPR-UHFFFAOYSA-N 2 0 342.447 1.087 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000433157364 305101844 /nfs/dbraw/zinc/10/18/44/305101844.db2.gz FXESTSTTYYUSBU-LJQANCHMSA-N 2 0 346.519 1.936 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2CC[NH+](C)CC2)CCCO1 ZINC000433316716 305105583 /nfs/dbraw/zinc/10/55/83/305105583.db2.gz BCQMDTOFDPTSOZ-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433384666 305107211 /nfs/dbraw/zinc/10/72/11/305107211.db2.gz DSLPOTCESUKHFD-BRWVUGGUSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000433388290 305107552 /nfs/dbraw/zinc/10/75/52/305107552.db2.gz UFWBCFSZLXOKFC-JKSUJKDBSA-N 2 0 346.479 1.293 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414898433 447349153 /nfs/dbraw/zinc/34/91/53/447349153.db2.gz AECSDEHMCCEUMP-GOEBONIOSA-N 2 0 339.480 1.298 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446293399 305262816 /nfs/dbraw/zinc/26/28/16/305262816.db2.gz XMVUJFKQFVTOLI-GPMSIDNRSA-N 2 0 337.508 1.757 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000446591686 305267458 /nfs/dbraw/zinc/26/74/58/305267458.db2.gz IKLPDFBEUVGMEH-KRWDZBQOSA-N 2 0 340.512 1.663 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCC[NH+]1CCCOCC1 ZINC000446647276 305268494 /nfs/dbraw/zinc/26/84/94/305268494.db2.gz ZTFYIYWEFOAWJD-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP COCC[C@@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000447390151 305279828 /nfs/dbraw/zinc/27/98/28/305279828.db2.gz DNBRHVAYPFCNFC-PKOBYXMFSA-N 2 0 349.475 1.191 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449147644 305308008 /nfs/dbraw/zinc/30/80/08/305308008.db2.gz HPEHYXBQVRIJGO-UHFFFAOYSA-N 2 0 331.460 1.913 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000449339015 305311796 /nfs/dbraw/zinc/31/17/96/305311796.db2.gz IJFLKKMIQZVDLH-RDTXWAMCSA-N 2 0 331.460 1.685 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H]1CC ZINC000449347817 305312054 /nfs/dbraw/zinc/31/20/54/305312054.db2.gz JGDIEXMWIGQSDE-GVDBMIGSSA-N 2 0 325.497 1.853 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1C)c1ccccc1 ZINC000449342875 305312114 /nfs/dbraw/zinc/31/21/14/305312114.db2.gz FXKFYWYAOOSOON-KBAYOESNSA-N 2 0 333.476 1.668 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@]3(CCSC3)C2)CC1 ZINC000451964146 305374555 /nfs/dbraw/zinc/37/45/55/305374555.db2.gz JOJLVSTZFPAJDU-QGZVFWFLSA-N 2 0 325.522 1.806 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)c2ccccc2)CC1 ZINC000451991294 305376758 /nfs/dbraw/zinc/37/67/58/305376758.db2.gz SKEJQCWXYWANRJ-UHFFFAOYSA-N 2 0 332.492 1.655 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1CCC[NH+](CCCO)C1)[N@H+](C)Cc1ccccc1 ZINC000452382493 305395783 /nfs/dbraw/zinc/39/57/83/305395783.db2.gz MLOGIXAJLDSODN-RTBURBONSA-N 2 0 347.503 1.860 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000471651731 305537869 /nfs/dbraw/zinc/53/78/69/305537869.db2.gz ACPJPDLVRFGOOK-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[C@H](C[NH3+])C2)Cc2ccccc2C1 ZINC000515619435 305725363 /nfs/dbraw/zinc/72/53/63/305725363.db2.gz IZRYTHPDFIDZHE-WMLDXEAASA-N 2 0 330.476 1.512 20 0 EDADRP CC(C)(C)NS(=O)(=O)CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000516254401 305735206 /nfs/dbraw/zinc/73/52/06/305735206.db2.gz BHCWWCYUBOLUJD-UHFFFAOYSA-N 2 0 340.493 1.358 20 0 EDADRP CN(c1ccccc1C[NH2+][C@@H]1CC[C@H](C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000516713399 305740084 /nfs/dbraw/zinc/74/00/84/305740084.db2.gz NUPZXZJRSQLGJH-DOTOQJQBSA-N 2 0 344.503 1.961 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)cc1 ZINC000414935601 447363508 /nfs/dbraw/zinc/36/35/08/447363508.db2.gz BBZQRGNMKKPLSI-CZUORRHYSA-N 2 0 332.448 1.189 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529331175 305909669 /nfs/dbraw/zinc/90/96/69/305909669.db2.gz JCAONIUDCFITDI-RDJZCZTQSA-N 2 0 338.496 1.176 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000529335033 305910061 /nfs/dbraw/zinc/91/00/61/305910061.db2.gz OMGVJTGRBRRMDG-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000414944487 447367035 /nfs/dbraw/zinc/36/70/35/447367035.db2.gz OEXCJCDBFWNQGT-BBRMVZONSA-N 2 0 332.448 1.143 20 0 EDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000534312010 306005728 /nfs/dbraw/zinc/00/57/28/306005728.db2.gz KLFMAIUABDYYGF-MRXNPFEDSA-N 2 0 345.491 1.390 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000535726453 306015150 /nfs/dbraw/zinc/01/51/50/306015150.db2.gz BKZVQAGEICKFOV-JKSUJKDBSA-N 2 0 342.528 1.715 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000535834527 306018016 /nfs/dbraw/zinc/01/80/16/306018016.db2.gz GGENMPLERFKBGB-SJORKVTESA-N 2 0 327.513 1.706 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000541519343 306046435 /nfs/dbraw/zinc/04/64/35/306046435.db2.gz LROVSLLPCVCPMK-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)N3CCCCC3)C2)CC1 ZINC000541984397 306050385 /nfs/dbraw/zinc/05/03/85/306050385.db2.gz PEEQQWCPAHKHKT-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP CN(CCC(=O)N1CCC([N@H+](C)CCCO)CC1)c1cc[nH+]cc1 ZINC000542784854 306058386 /nfs/dbraw/zinc/05/83/86/306058386.db2.gz WBXVGEJMUCKBTK-UHFFFAOYSA-N 2 0 334.464 1.213 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000544552937 306076290 /nfs/dbraw/zinc/07/62/90/306076290.db2.gz CEHGRPWOIYMAHE-INIZCTEOSA-N 2 0 345.491 1.295 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1O)CCCC2 ZINC000544628782 306077479 /nfs/dbraw/zinc/07/74/79/306077479.db2.gz QIKHDEOILUPZDH-UHFFFAOYSA-N 2 0 333.476 1.836 20 0 EDADRP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000551100778 306155724 /nfs/dbraw/zinc/15/57/24/306155724.db2.gz DPWAFTVIRAOSHS-KRWDZBQOSA-N 2 0 335.473 1.563 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000551412683 306158077 /nfs/dbraw/zinc/15/80/77/306158077.db2.gz APHJDSNBJADFDD-MOPGFXCFSA-N 2 0 347.503 1.718 20 0 EDADRP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000551739251 306160900 /nfs/dbraw/zinc/16/09/00/306160900.db2.gz YUMFITBMTVLBQG-RBUKOAKNSA-N 2 0 347.503 1.718 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000556849983 306219860 /nfs/dbraw/zinc/21/98/60/306219860.db2.gz NJAVOKIIUUZQEQ-AZUAARDMSA-N 2 0 345.487 1.642 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)nn1 ZINC000557339408 306227548 /nfs/dbraw/zinc/22/75/48/306227548.db2.gz RBDZXNOVPSBKKL-RDJZCZTQSA-N 2 0 340.431 1.327 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000665236128 453619202 /nfs/dbraw/zinc/61/92/02/453619202.db2.gz HZYXRKALPUXGDI-VXGBXAGGSA-N 2 0 341.253 1.433 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414978807 447383112 /nfs/dbraw/zinc/38/31/12/447383112.db2.gz SMXSAXZOFNHUQO-LJQANCHMSA-N 2 0 334.483 1.326 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661198740 453754923 /nfs/dbraw/zinc/75/49/23/453754923.db2.gz UJGZQRDVDFMFLJ-HOCLYGCPSA-N 2 0 326.485 1.268 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCCN(c2ccccn2)C1 ZINC000378362831 447422614 /nfs/dbraw/zinc/42/26/14/447422614.db2.gz IXJVLZUOLKIKHY-HOTGVXAUSA-N 2 0 331.464 1.834 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[NH2+]1 ZINC000415424086 447423067 /nfs/dbraw/zinc/42/30/67/447423067.db2.gz AGYXHAFJMAYLDN-OAHLLOKOSA-N 2 0 344.459 1.431 20 0 EDADRP C[C@H](C[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494472701 447437673 /nfs/dbraw/zinc/43/76/73/447437673.db2.gz STZAYPUCDFUTSY-ARFHVFGLSA-N 2 0 342.528 1.904 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081633501 441297824 /nfs/dbraw/zinc/29/78/24/441297824.db2.gz DUEKGPLXJQCSPR-KRWDZBQOSA-N 2 0 336.524 1.251 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000073881132 441365500 /nfs/dbraw/zinc/36/55/00/441365500.db2.gz OTCLLBJFWDSTGC-SJORKVTESA-N 2 0 341.544 1.290 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000074181557 441404220 /nfs/dbraw/zinc/40/42/20/441404220.db2.gz JRBOTFWAGLJVCF-KRWDZBQOSA-N 2 0 347.507 1.783 20 0 EDADRP C[NH+](C)C1(C(=O)NCC2([NH+](C)C)CCOCC2)Cc2ccccc2C1 ZINC000074677965 441456770 /nfs/dbraw/zinc/45/67/70/441456770.db2.gz WFACDMYHINRUPU-UHFFFAOYSA-N 2 0 345.487 1.313 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108561228 441464658 /nfs/dbraw/zinc/46/46/58/441464658.db2.gz XVVIKWDMFNJAAQ-OALUTQOASA-N 2 0 344.503 1.943 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000089152690 441527277 /nfs/dbraw/zinc/52/72/77/441527277.db2.gz WYMNAXPERULMNI-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP CC[C@@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)[NH+](C)C ZINC000089344727 441539251 /nfs/dbraw/zinc/53/92/51/441539251.db2.gz SXSVJKYUVIMHOA-INIZCTEOSA-N 2 0 325.497 1.602 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000112215759 441546544 /nfs/dbraw/zinc/54/65/44/441546544.db2.gz HSKPWYLWRXCFLZ-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000066175665 441508898 /nfs/dbraw/zinc/50/88/98/441508898.db2.gz ZLOOQTBALJFMGM-JKSUJKDBSA-N 2 0 328.501 1.373 20 0 EDADRP O[C@H](CN1CCOCC1)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121682108 441758397 /nfs/dbraw/zinc/75/83/97/441758397.db2.gz OYMOMKGSPJIPLN-IBGZPJMESA-N 2 0 339.524 1.268 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000139528682 441819816 /nfs/dbraw/zinc/81/98/16/441819816.db2.gz PCCUBLHMFBFSPI-KRWDZBQOSA-N 2 0 331.464 1.439 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000068514944 441810623 /nfs/dbraw/zinc/81/06/23/441810623.db2.gz CWRJACVTZCDTPD-OAHLLOKOSA-N 2 0 333.480 1.294 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000173946053 441866525 /nfs/dbraw/zinc/86/65/25/441866525.db2.gz OZKDHQFJAZXFKP-SFHVURJKSA-N 2 0 328.460 1.904 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](C)C2)c1 ZINC000077817480 441867525 /nfs/dbraw/zinc/86/75/25/441867525.db2.gz HPAPJBUEQZNRKN-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP COCC[N@H+](CCO)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000093005935 441849046 /nfs/dbraw/zinc/84/90/46/441849046.db2.gz SYVXYEZQKZXRRY-UHFFFAOYSA-N 2 0 335.492 1.658 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCN1CCOCC1 ZINC000151207892 442025216 /nfs/dbraw/zinc/02/52/16/442025216.db2.gz LWKBHYKKTHEOPW-SQNIBIBYSA-N 2 0 325.497 1.188 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1OC ZINC000120416187 442068183 /nfs/dbraw/zinc/06/81/83/442068183.db2.gz NZUKSNINLWPWPZ-INIZCTEOSA-N 2 0 335.492 1.862 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000079732630 442082817 /nfs/dbraw/zinc/08/28/17/442082817.db2.gz VCHXCVKHYBHXQH-LJQANCHMSA-N 2 0 344.503 1.897 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCCN1CCOCC1)c1ccco1 ZINC000120808699 442136418 /nfs/dbraw/zinc/13/64/18/442136418.db2.gz LTUODSGCPMYEMO-HNNXBMFYSA-N 2 0 338.452 1.294 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000175688452 442106202 /nfs/dbraw/zinc/10/62/02/442106202.db2.gz UEWNSESFGXNAAM-TWMKSMIVSA-N 2 0 340.512 1.658 20 0 EDADRP CC[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000163472948 442168783 /nfs/dbraw/zinc/16/87/83/442168783.db2.gz NCLRJQPWSSOORQ-IBGZPJMESA-N 2 0 346.519 1.603 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1)Cc1ccc(F)cc1 ZINC000175951065 442152205 /nfs/dbraw/zinc/15/22/05/442152205.db2.gz SBCGCLIUWDOEHP-SFHVURJKSA-N 2 0 346.450 1.913 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000167231525 442219451 /nfs/dbraw/zinc/21/94/51/442219451.db2.gz HMDKPNOOWAXQRX-GOSISDBHSA-N 2 0 349.475 1.402 20 0 EDADRP C[NH+](C)CC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000170773302 442261106 /nfs/dbraw/zinc/26/11/06/442261106.db2.gz JAAGHEKTVRIKDH-QGZVFWFLSA-N 2 0 345.491 1.004 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153104818 442262122 /nfs/dbraw/zinc/26/21/22/442262122.db2.gz LCTNXZPDKIFGCQ-JKIFEVAISA-N 2 0 340.489 1.787 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000153125680 442262415 /nfs/dbraw/zinc/26/24/15/442262415.db2.gz BFWBGRNBCRUKHN-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOC(C)(C)C1 ZINC000171174126 442323002 /nfs/dbraw/zinc/32/30/02/442323002.db2.gz YOTKTFKMKCQHLF-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000171202680 442327728 /nfs/dbraw/zinc/32/77/28/442327728.db2.gz AUSXSEPMEQIODY-QGZVFWFLSA-N 2 0 336.480 1.475 20 0 EDADRP COC(=O)[C@]1(C)CC[NH+](CCCC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000177415416 442338706 /nfs/dbraw/zinc/33/87/06/442338706.db2.gz ITCBZIUBNZSJRF-QZTJIDSGSA-N 2 0 340.464 1.537 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCN3CCCC3=O)CC2)C[C@H](C)O1 ZINC000177485467 442347834 /nfs/dbraw/zinc/34/78/34/442347834.db2.gz XOTVPEBWWBQWMM-CALCHBBNSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000130600162 442350810 /nfs/dbraw/zinc/35/08/10/442350810.db2.gz ZVARLBSPMNTWRJ-SFHVURJKSA-N 2 0 330.476 1.306 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000177853232 442391394 /nfs/dbraw/zinc/39/13/94/442391394.db2.gz MKTFISNAGQDGGQ-MRXNPFEDSA-N 2 0 326.485 1.082 20 0 EDADRP CCCNC(=O)NC(=O)CN1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000154757091 442355109 /nfs/dbraw/zinc/35/51/09/442355109.db2.gz ODNQVVWGSOFGSP-INIZCTEOSA-N 2 0 338.496 1.666 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000172247923 442429699 /nfs/dbraw/zinc/42/96/99/442429699.db2.gz FUPBKWJSSGKVKS-SFHVURJKSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H](NC(=O)C[C@H]1CSCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000133920417 442440263 /nfs/dbraw/zinc/44/02/63/442440263.db2.gz HAZBOISSNVFYNI-CABCVRRESA-N 2 0 341.521 1.231 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000178874586 442510402 /nfs/dbraw/zinc/51/04/02/442510402.db2.gz FFGVONJAYNCHDP-FUHWJXTLSA-N 2 0 332.492 1.337 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000178856783 442505257 /nfs/dbraw/zinc/50/52/57/442505257.db2.gz MMXXWZMZIHOXGR-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC1=CC[NH2+]CC1 ZINC000186310765 442509102 /nfs/dbraw/zinc/50/91/02/442509102.db2.gz ASAAZBANSYNEJJ-UHFFFAOYSA-N 2 0 328.460 1.235 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)c(OC)c1 ZINC000178962255 442540228 /nfs/dbraw/zinc/54/02/28/442540228.db2.gz STZWMPVTSPYXKS-UHFFFAOYSA-N 2 0 347.459 1.461 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000172807788 442547471 /nfs/dbraw/zinc/54/74/71/442547471.db2.gz HXCJNTBCOYYWJY-KRWDZBQOSA-N 2 0 337.508 1.678 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCO)CC2)C12CCOCC2 ZINC000186324882 442512818 /nfs/dbraw/zinc/51/28/18/442512818.db2.gz BTAGPICGUJSEDQ-DLBZAZTESA-N 2 0 326.481 1.255 20 0 EDADRP COC(=O)C1CC[NH+](CCCC[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000157317663 442571756 /nfs/dbraw/zinc/57/17/56/442571756.db2.gz DISVMIJRNMAEGB-UHFFFAOYSA-N 2 0 340.464 1.537 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)c3cncc(Cl)n3)CC2)CC1 ZINC000192341364 442635926 /nfs/dbraw/zinc/63/59/26/442635926.db2.gz PCPWOWMTYAQDBF-UHFFFAOYSA-N 2 0 337.855 1.418 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000187401810 442674461 /nfs/dbraw/zinc/67/44/61/442674461.db2.gz UBFWAZORRLJRLL-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000187401827 442674487 /nfs/dbraw/zinc/67/44/87/442674487.db2.gz UBFWAZORRLJRLL-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187956460 442700389 /nfs/dbraw/zinc/70/03/89/442700389.db2.gz HLWUXJRYQTWQES-FUHWJXTLSA-N 2 0 327.513 1.291 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000192945209 442700660 /nfs/dbraw/zinc/70/06/60/442700660.db2.gz JWBVOEUVPCKJPL-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP C[C@@H](CN1CCOCC1)NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000193587816 442756841 /nfs/dbraw/zinc/75/68/41/442756841.db2.gz FJHVUYZKEOPKDN-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C[C@@H]1CCCOC1)CC1(C[N@H+](C)C[C@H]2CCCOC2)COC1 ZINC000182157898 442740929 /nfs/dbraw/zinc/74/09/29/442740929.db2.gz XCILETWLKUDQDI-HDICACEKSA-N 2 0 340.508 1.720 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000182167368 442741815 /nfs/dbraw/zinc/74/18/15/442741815.db2.gz LMJGNIKASNQTDP-PBHICJAKSA-N 2 0 333.480 1.165 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3c[nH+]ccc3N)CC2)C[C@H](C)O1 ZINC000188135186 442714699 /nfs/dbraw/zinc/71/46/99/442714699.db2.gz SSVKWGZKLWONLI-OKILXGFUSA-N 2 0 332.448 1.625 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000188691042 442789756 /nfs/dbraw/zinc/78/97/56/442789756.db2.gz NPYYTBRONGEFNJ-USXIJHARSA-N 2 0 335.423 1.648 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](Cc1ccccc1)[NH+](C)C ZINC000267987443 442807987 /nfs/dbraw/zinc/80/79/87/442807987.db2.gz PPWDGDDLDYCDQU-ROUUACIJSA-N 2 0 335.492 1.632 20 0 EDADRP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000247396124 442852232 /nfs/dbraw/zinc/85/22/32/442852232.db2.gz QUCJVWCOMCZQNO-OKZBNKHCSA-N 2 0 326.481 1.493 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188942075 442846375 /nfs/dbraw/zinc/84/63/75/442846375.db2.gz QTYAWCBIRPQEMB-UHFFFAOYSA-N 2 0 333.461 1.321 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000247926420 442873689 /nfs/dbraw/zinc/87/36/89/442873689.db2.gz ZVKBNPGXRJBAHU-BRWVUGGUSA-N 2 0 339.528 1.042 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000183084722 442875984 /nfs/dbraw/zinc/87/59/84/442875984.db2.gz BCORLUTYPXCFFC-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@H]2c2ccccc2)C1 ZINC000265725616 442895492 /nfs/dbraw/zinc/89/54/92/442895492.db2.gz ILCJWRPKSGIGFH-MSOLQXFVSA-N 2 0 346.475 1.405 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000268115710 442853630 /nfs/dbraw/zinc/85/36/30/442853630.db2.gz DNXYSSSNRJUULX-PBHICJAKSA-N 2 0 334.464 1.836 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)C1 ZINC000189290959 442913075 /nfs/dbraw/zinc/91/30/75/442913075.db2.gz BYRNBYNBOCQMBZ-BPQIPLTHSA-N 2 0 337.508 1.866 20 0 EDADRP CN(C)c1ccncc1C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000183304763 442920032 /nfs/dbraw/zinc/92/00/32/442920032.db2.gz YBBKGYSICYEQEL-UHFFFAOYSA-N 2 0 338.477 1.194 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3(C)CC[NH2+]CC3)cc2)CC1 ZINC000183382120 442926943 /nfs/dbraw/zinc/92/69/43/442926943.db2.gz SANQRXJMRSSEEP-UHFFFAOYSA-N 2 0 344.503 1.948 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000195039265 442978376 /nfs/dbraw/zinc/97/83/76/442978376.db2.gz LKGGYUBYFKTQAV-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP COCCN1CC[C@@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000268867872 443131573 /nfs/dbraw/zinc/13/15/73/443131573.db2.gz FSWCOBKRRJHRKY-SJLPKXTDSA-N 2 0 335.492 1.998 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000236993883 443154766 /nfs/dbraw/zinc/15/47/66/443154766.db2.gz IELKAUUOTQZHOD-QGZVFWFLSA-N 2 0 344.503 1.900 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)Cc1ccccc1 ZINC000269223672 443238890 /nfs/dbraw/zinc/23/88/90/443238890.db2.gz BGULYBYSPCZDPU-OALUTQOASA-N 2 0 347.503 1.824 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000397449426 319134607 /nfs/dbraw/zinc/13/46/07/319134607.db2.gz QJPLKGVLTFRGMW-OAHLLOKOSA-N 2 0 327.469 1.696 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCO[C@H]2CC(C)C)CC1 ZINC000411555391 319184413 /nfs/dbraw/zinc/18/44/13/319184413.db2.gz GVMWAMSYDJVABL-IRXDYDNUSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C[C@@H]2C[NH2+]CCO2)cc1 ZINC000269255290 443253125 /nfs/dbraw/zinc/25/31/25/443253125.db2.gz JHJVBBAZMNVDKT-QGZVFWFLSA-N 2 0 335.448 1.012 20 0 EDADRP C[C@H](CCn1cccn1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203383 319319712 /nfs/dbraw/zinc/31/97/12/319319712.db2.gz VHLBTABBGLQJPC-QGZVFWFLSA-N 2 0 335.496 1.048 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCSCC1 ZINC000414206249 319319978 /nfs/dbraw/zinc/31/99/78/319319978.db2.gz YBKQBHJJFKZMCY-INIZCTEOSA-N 2 0 341.565 1.904 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+](C)C ZINC000414677703 319340204 /nfs/dbraw/zinc/34/02/04/319340204.db2.gz JFPXJOBTJVFTSI-QGZVFWFLSA-N 2 0 346.475 1.363 20 0 EDADRP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680649 319341059 /nfs/dbraw/zinc/34/10/59/319341059.db2.gz NJDSLUCJIIBGNW-MRXNPFEDSA-N 2 0 341.459 1.501 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000414684289 319342404 /nfs/dbraw/zinc/34/24/04/319342404.db2.gz VFOYLWQMLQYHNH-QZTJIDSGSA-N 2 0 336.524 1.395 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000415009562 319345565 /nfs/dbraw/zinc/34/55/65/319345565.db2.gz FUDHKCUMCFDGMC-ZIAGYGMSSA-N 2 0 325.478 1.473 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000415746513 319369514 /nfs/dbraw/zinc/36/95/14/319369514.db2.gz TUMOXWWBPVEIEO-SHTZXODSSA-N 2 0 346.475 1.568 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCCC[C@H]2CCC[NH2+]2)ccc1C[NH+](C)C ZINC000415808128 319371360 /nfs/dbraw/zinc/37/13/60/319371360.db2.gz SECNYUXUZAEZSL-MRXNPFEDSA-N 2 0 346.475 1.644 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C(C)(C)C ZINC000416003477 319389208 /nfs/dbraw/zinc/38/92/08/319389208.db2.gz GUPRLMVGTPIRIF-MNOVXSKESA-N 2 0 326.407 1.932 20 0 EDADRP C[C@@]1(C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000269296910 443271774 /nfs/dbraw/zinc/27/17/74/443271774.db2.gz OLTAGCIMZGRHOM-HXUWFJFHSA-N 2 0 344.503 1.310 20 0 EDADRP Cn1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000264389401 443272877 /nfs/dbraw/zinc/27/28/77/443272877.db2.gz AMJUYFZUKSDJJY-UHFFFAOYSA-N 2 0 343.435 1.149 20 0 EDADRP COCCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000282374340 443320097 /nfs/dbraw/zinc/32/00/97/443320097.db2.gz OBVUNESMMRLABO-UHFFFAOYSA-N 2 0 335.492 1.827 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000272455577 443324807 /nfs/dbraw/zinc/32/48/07/443324807.db2.gz NGPJUQNYLRWKJA-QZTJIDSGSA-N 2 0 330.476 1.854 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000278427274 443328080 /nfs/dbraw/zinc/32/80/80/443328080.db2.gz JJRZIPGRRUFCAE-QGZVFWFLSA-N 2 0 343.475 1.076 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000264604196 443343335 /nfs/dbraw/zinc/34/33/35/443343335.db2.gz FUITYCLPFCVKTA-AATRIKPKSA-N 2 0 332.404 1.212 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419125805 319558717 /nfs/dbraw/zinc/55/87/17/319558717.db2.gz USLJKCBIINSMOW-HUUCEWRRSA-N 2 0 326.485 1.001 20 0 EDADRP Cc1nccn1-c1ccc(CNC(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC000264818657 443439152 /nfs/dbraw/zinc/43/91/52/443439152.db2.gz HGJAPDGZSAZJDQ-UHFFFAOYSA-N 2 0 328.420 1.469 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnnn2C)cc1OC ZINC000267528336 443486899 /nfs/dbraw/zinc/48/68/99/443486899.db2.gz QTOIOHNXUXJQAJ-UHFFFAOYSA-N 2 0 347.463 1.834 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000422537906 319711034 /nfs/dbraw/zinc/71/10/34/319711034.db2.gz HPTCXTHBJYBLCL-LBPRGKRZSA-N 2 0 330.457 1.973 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(S(=O)(=O)CC(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422968316 319742917 /nfs/dbraw/zinc/74/29/17/319742917.db2.gz WIFAPEPJXYNIKT-CVEARBPZSA-N 2 0 331.526 1.557 20 0 EDADRP CC(C)C[C@H](N[C@@H]1C[C@H]([NH3+])c2ccccc21)C(=O)NCC[NH+](C)C ZINC000423023860 319746739 /nfs/dbraw/zinc/74/67/39/319746739.db2.gz IHGLXEPAOQXVIW-KSZLIROESA-N 2 0 332.492 1.813 20 0 EDADRP CC[C@H]([NH2+]C[C@H](C)C[NH3+])c1ccc(Cl)c(S(=O)(=O)NC)c1 ZINC000423303766 319761983 /nfs/dbraw/zinc/76/19/83/319761983.db2.gz JMIJDOPWVQWULI-MFKMUULPSA-N 2 0 333.885 1.884 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(COC)CC[NH2+]C2)c1 ZINC000423317725 319763842 /nfs/dbraw/zinc/76/38/42/319763842.db2.gz DAOAAZZIYUFJQH-IBGZPJMESA-N 2 0 333.476 1.771 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2cn(CCCC[NH3+])nn2)[NH+](C)C)cc1 ZINC000423340263 319765134 /nfs/dbraw/zinc/76/51/34/319765134.db2.gz JFXMSCBBBOEVDX-KRWDZBQOSA-N 2 0 344.463 1.358 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCc1ccc(=O)[nH]c1 ZINC000279037235 443497216 /nfs/dbraw/zinc/49/72/16/443497216.db2.gz OCWUGDUSNZATKM-UHFFFAOYSA-N 2 0 336.480 1.452 20 0 EDADRP C[C@H]([NH2+]CCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272376609 443607079 /nfs/dbraw/zinc/60/70/79/443607079.db2.gz BJGXVFPGQYAJLM-PKOBYXMFSA-N 2 0 345.487 1.736 20 0 EDADRP COC(=O)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433168396 319973867 /nfs/dbraw/zinc/97/38/67/319973867.db2.gz MVPPNDCXVLNKBZ-QGZVFWFLSA-N 2 0 347.459 1.610 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000438571748 320036153 /nfs/dbraw/zinc/03/61/53/320036153.db2.gz ANIQRJBXOXHJQZ-SFHVURJKSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000439354597 320046365 /nfs/dbraw/zinc/04/63/65/320046365.db2.gz HUCVNVJZWSXYOL-CQSZACIVSA-N 2 0 332.448 1.239 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000276225695 443670817 /nfs/dbraw/zinc/67/08/17/443670817.db2.gz DSMKXRKDVJUOBX-MSOLQXFVSA-N 2 0 345.491 1.639 20 0 EDADRP C[C@H]1CN(C(=O)NCC[NH+]2CCCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000458835928 320342842 /nfs/dbraw/zinc/34/28/42/320342842.db2.gz FENFQQOSKSIKQQ-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC(C)(F)C1 ZINC000458899040 320344171 /nfs/dbraw/zinc/34/41/71/320344171.db2.gz GAEJRMODTIXSGK-ISXOHVOVSA-N 2 0 328.476 1.935 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471647499 320353146 /nfs/dbraw/zinc/35/31/46/320353146.db2.gz HGOSDCUEXNIGGG-IYBDPMFKSA-N 2 0 342.528 1.620 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563647 320361537 /nfs/dbraw/zinc/36/15/37/320361537.db2.gz QXZOFIUQGQDNCQ-FDPKGLCPSA-N 2 0 334.508 1.983 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000519698353 320471236 /nfs/dbraw/zinc/47/12/36/320471236.db2.gz KGRJJLWNUNWHSN-OWCLPIDISA-N 2 0 331.526 1.701 20 0 EDADRP C[C@H](O)CNc1cc(N2CCCN(Cc3cscn3)CC2)ncn1 ZINC000298249833 443729817 /nfs/dbraw/zinc/72/98/17/443729817.db2.gz MYEKGNIJCIXAJB-ZDUSSCGKSA-N 2 0 348.476 1.438 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000298255952 443731744 /nfs/dbraw/zinc/73/17/44/443731744.db2.gz KHRNDHYYBXSPTC-KRWDZBQOSA-N 2 0 330.432 1.744 20 0 EDADRP CC[C@@H]1CO[C@H](C)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000298268906 443734022 /nfs/dbraw/zinc/73/40/22/443734022.db2.gz GDYRWTLCXDFBQM-IAGOWNOFSA-N 2 0 346.475 1.620 20 0 EDADRP COCC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000283850410 443742273 /nfs/dbraw/zinc/74/22/73/443742273.db2.gz HYTXUHVNPKOFTF-UHFFFAOYSA-N 2 0 346.475 1.527 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000276567836 443749637 /nfs/dbraw/zinc/74/96/37/443749637.db2.gz AWAAKYQQDYOHLP-BMGDILEWSA-N 2 0 331.460 1.258 20 0 EDADRP CN1CCC([NH+]2CCC(Nc3nccn(C(F)F)c3=O)CC2)CC1 ZINC000288109293 443773677 /nfs/dbraw/zinc/77/36/77/443773677.db2.gz KNPJSIFKSPNSRM-UHFFFAOYSA-N 2 0 341.406 1.609 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccsc1 ZINC000285180598 443886049 /nfs/dbraw/zinc/88/60/49/443886049.db2.gz MYRBKAMBLNLKRK-AWEZNQCLSA-N 2 0 345.534 1.785 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CCc2cn(CC(=O)OC)nn2)CC1 ZINC000533000827 320681621 /nfs/dbraw/zinc/68/16/21/320681621.db2.gz IJORJPSXZHNCIE-UHFFFAOYSA-N 2 0 337.468 1.047 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000293201180 443950020 /nfs/dbraw/zinc/95/00/20/443950020.db2.gz LPVAAGPPWAPXNI-LJQANCHMSA-N 2 0 344.459 1.241 20 0 EDADRP CNC(=O)NC(=O)CC[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000299267284 444000896 /nfs/dbraw/zinc/00/08/96/444000896.db2.gz KRCPIMVXOMQPEI-MRXNPFEDSA-N 2 0 334.464 1.578 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277531933 444002876 /nfs/dbraw/zinc/00/28/76/444002876.db2.gz SPXQDPIGRPTAJR-GOSISDBHSA-N 2 0 348.491 1.481 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000277298826 443955363 /nfs/dbraw/zinc/95/53/63/443955363.db2.gz JPPPTZQQAIALLQ-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP CCN(C)C(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285365186 443957751 /nfs/dbraw/zinc/95/77/51/443957751.db2.gz FOPDXELZXOTNNM-UHFFFAOYSA-N 2 0 346.519 1.604 20 0 EDADRP C[C@H](C(=O)N(C)C)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285504574 444009481 /nfs/dbraw/zinc/00/94/81/444009481.db2.gz QHNCHVHVUXLPFM-QGZVFWFLSA-N 2 0 332.492 1.213 20 0 EDADRP C[C@@H]1C[C@H]1CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299550438 444077058 /nfs/dbraw/zinc/07/70/58/444077058.db2.gz LCBPJHWEZREVOZ-CVEARBPZSA-N 2 0 331.464 1.549 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293577768 444059730 /nfs/dbraw/zinc/05/97/30/444059730.db2.gz JMLGKQFEUDIBOM-UHFFFAOYSA-N 2 0 332.448 1.133 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C)CC[NH2+]CC1 ZINC000561186326 321035560 /nfs/dbraw/zinc/03/55/60/321035560.db2.gz QTDNXRKIHQLYKP-RDJZCZTQSA-N 2 0 330.476 1.948 20 0 EDADRP O=C(CN1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278750 321038404 /nfs/dbraw/zinc/03/84/04/321038404.db2.gz SHZSLVGALNYHOC-HOTGVXAUSA-N 2 0 345.443 1.496 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000561440886 321041582 /nfs/dbraw/zinc/04/15/82/321041582.db2.gz AQDCMPSUQIYGCT-QZTJIDSGSA-N 2 0 345.487 1.790 20 0 EDADRP COc1ccncc1CNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000562671787 321068417 /nfs/dbraw/zinc/06/84/17/321068417.db2.gz NIDGAJLAVNLZIL-IIAWOOMASA-N 2 0 332.448 1.962 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000562815559 321078234 /nfs/dbraw/zinc/07/82/34/321078234.db2.gz CBSPQDWNNBCDNT-LSDHHAIUSA-N 2 0 347.463 1.310 20 0 EDADRP CCCOc1cc(C)ccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000562990351 321086157 /nfs/dbraw/zinc/08/61/57/321086157.db2.gz XKSWKNLJJCKNGD-SFHVURJKSA-N 2 0 335.492 1.482 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563094385 321095138 /nfs/dbraw/zinc/09/51/38/321095138.db2.gz IXKLENAENDQEFJ-LJQANCHMSA-N 2 0 344.503 1.263 20 0 EDADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000289274784 444093404 /nfs/dbraw/zinc/09/34/04/444093404.db2.gz FKGIWNCPSLMYOK-SJORKVTESA-N 2 0 349.475 1.921 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000566211373 321222433 /nfs/dbraw/zinc/22/24/33/321222433.db2.gz KLILHVKZRILLRF-OAHLLOKOSA-N 2 0 332.354 1.974 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000567475349 321243352 /nfs/dbraw/zinc/24/33/52/321243352.db2.gz HNNSZVKJYCXKJE-FUHWJXTLSA-N 2 0 333.476 1.392 20 0 EDADRP CC1(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000568489890 321293305 /nfs/dbraw/zinc/29/33/05/321293305.db2.gz YZAHJSCKJDPRFU-GOSISDBHSA-N 2 0 344.503 1.992 20 0 EDADRP C[N@H+](CCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)C1CCCC1 ZINC000568846122 321308006 /nfs/dbraw/zinc/30/80/06/321308006.db2.gz SDDOZPJODRVZLZ-AWEZNQCLSA-N 2 0 331.464 1.894 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000569967428 321332575 /nfs/dbraw/zinc/33/25/75/321332575.db2.gz YOBAIPHGLFNUSK-FUHWJXTLSA-N 2 0 331.460 1.647 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000289309596 444103419 /nfs/dbraw/zinc/10/34/19/444103419.db2.gz DWRJXXMBVGHGGV-SJLPKXTDSA-N 2 0 340.471 1.962 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC000576228458 321548680 /nfs/dbraw/zinc/54/86/80/321548680.db2.gz RUPZZZZGQIRANZ-UHFFFAOYSA-N 2 0 336.524 1.252 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000576272499 321552409 /nfs/dbraw/zinc/55/24/09/321552409.db2.gz ZWTBMLLNKOHOIJ-QFBILLFUSA-N 2 0 331.504 1.997 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000303233012 444235248 /nfs/dbraw/zinc/23/52/48/444235248.db2.gz XHLQOGPMEKQKNP-NUJGCVRESA-N 2 0 325.497 1.017 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC[C@@H](C[NH3+])C2)ccc1C[NH+](C)C ZINC000577205270 321632411 /nfs/dbraw/zinc/63/24/11/321632411.db2.gz SFUQKZQIJQUODO-AWEZNQCLSA-N 2 0 332.448 1.192 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000296580543 444239951 /nfs/dbraw/zinc/23/99/51/444239951.db2.gz WWAATRRPAGQAJD-GOSISDBHSA-N 2 0 340.427 1.543 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309766060 444289545 /nfs/dbraw/zinc/28/95/45/444289545.db2.gz ZLYLOYRPRXKBCK-HUUCEWRRSA-N 2 0 325.403 1.997 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000578005196 321705493 /nfs/dbraw/zinc/70/54/93/321705493.db2.gz PUGGZNNIKQDQJK-PBHICJAKSA-N 2 0 337.489 1.704 20 0 EDADRP C[C@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578864498 321844633 /nfs/dbraw/zinc/84/46/33/321844633.db2.gz IFOUCSGMBHGJER-GOEBONIOSA-N 2 0 332.448 1.062 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)[C@H](C)C1 ZINC000338009834 444485842 /nfs/dbraw/zinc/48/58/42/444485842.db2.gz WUPAVLKIINYBRW-XMTFNYHQSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H](O)C(F)(F)F)[C@H](c2ccccc2)C1 ZINC000580065002 322004015 /nfs/dbraw/zinc/00/40/15/322004015.db2.gz FZWFNNBZSAJBEQ-JKSUJKDBSA-N 2 0 345.409 1.878 20 0 EDADRP C[C@@H]1CN(Cc2cccc(CNC(=O)CC[NH2+]C3CC3)c2)CCO1 ZINC000580215980 322025243 /nfs/dbraw/zinc/02/52/43/322025243.db2.gz JOYWPTTUDFXXFK-OAHLLOKOSA-N 2 0 331.460 1.666 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000580292885 322032320 /nfs/dbraw/zinc/03/23/20/322032320.db2.gz WTPDZRPHGUKTDX-MSOLQXFVSA-N 2 0 345.491 1.108 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000580435747 322051284 /nfs/dbraw/zinc/05/12/84/322051284.db2.gz IIFJULJRXHDTOY-IBGZPJMESA-N 2 0 344.503 1.847 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H](C)C1 ZINC000580554663 322066485 /nfs/dbraw/zinc/06/64/85/322066485.db2.gz XFPBQRGXUFDOCL-ULQDDVLXSA-N 2 0 327.513 1.826 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580785431 322095827 /nfs/dbraw/zinc/09/58/27/322095827.db2.gz DDOMMDOLQLXNGW-DLBZAZTESA-N 2 0 331.464 1.439 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000580963915 322118985 /nfs/dbraw/zinc/11/89/85/322118985.db2.gz GPGZURHXKXRUDA-INIZCTEOSA-N 2 0 331.464 1.691 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000581081992 322134416 /nfs/dbraw/zinc/13/44/16/322134416.db2.gz AXTWCFUPTMGWFS-NVXWUHKLSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)c1 ZINC000581368737 322169678 /nfs/dbraw/zinc/16/96/78/322169678.db2.gz AKOAKJJGHTZGLG-UHFFFAOYSA-N 2 0 328.420 1.483 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000581937767 322234887 /nfs/dbraw/zinc/23/48/87/322234887.db2.gz NIIDZKODWGYPJZ-BSDSXHPESA-N 2 0 328.460 1.055 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000332276117 444508195 /nfs/dbraw/zinc/50/81/95/444508195.db2.gz QIZXEVLHDNPAPE-PMPSAXMXSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343767297 444576310 /nfs/dbraw/zinc/57/63/10/444576310.db2.gz GZPKUVUXOMFTAG-XWDNEUNKSA-N 2 0 349.519 1.818 20 0 EDADRP C[C@@H]1CN(c2ccccn2)C[C@@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343851203 444627912 /nfs/dbraw/zinc/62/79/12/444627912.db2.gz MNRGXEPJOBISPA-INMHGKMJSA-N 2 0 328.460 1.754 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000333010997 444628807 /nfs/dbraw/zinc/62/88/07/444628807.db2.gz SHNBGHYJQYFTMX-IXDOHACOSA-N 2 0 338.496 1.148 20 0 EDADRP COc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)nn1 ZINC000338303235 444620701 /nfs/dbraw/zinc/62/07/01/444620701.db2.gz MVAAJDJAXJGCHF-UHFFFAOYSA-N 2 0 334.464 1.810 20 0 EDADRP C[NH+](C)CC1(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC1 ZINC000343843944 444622989 /nfs/dbraw/zinc/62/29/89/444622989.db2.gz LMMYIEBSNMBRDE-UHFFFAOYSA-N 2 0 344.503 1.648 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1C ZINC000343916185 444667034 /nfs/dbraw/zinc/66/70/34/444667034.db2.gz KWOYGUKINVHPSE-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)C1 ZINC000333823067 444701544 /nfs/dbraw/zinc/70/15/44/444701544.db2.gz HZYMNXCCSPPIPG-OWCLPIDISA-N 2 0 329.510 1.122 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000341189608 444719440 /nfs/dbraw/zinc/71/94/40/444719440.db2.gz DLYSGQWUPIZJPK-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000333932280 444722745 /nfs/dbraw/zinc/72/27/45/444722745.db2.gz GQSWNYPEHQYWMT-FJIDUMEYSA-N 2 0 328.460 1.668 20 0 EDADRP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000333661929 444688514 /nfs/dbraw/zinc/68/85/14/444688514.db2.gz LROHRJCUMXKOGR-NVXWUHKLSA-N 2 0 338.496 1.128 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341129432 444689258 /nfs/dbraw/zinc/68/92/58/444689258.db2.gz UKMLYAZTYWSHPP-OAHLLOKOSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCOC1 ZINC000341230813 444740703 /nfs/dbraw/zinc/74/07/03/444740703.db2.gz AQRIDVUVBBYMTE-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCC2 ZINC000344138475 444801959 /nfs/dbraw/zinc/80/19/59/444801959.db2.gz NJPJCWFAIACFDA-MSOLQXFVSA-N 2 0 339.524 1.314 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000336878482 444824763 /nfs/dbraw/zinc/82/47/63/444824763.db2.gz FQAVWYNPXYKQHH-PASDCYSWSA-N 2 0 337.508 1.900 20 0 EDADRP CC[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)[N@@H+]1CCc2ccccc2C1 ZINC000342758554 444851670 /nfs/dbraw/zinc/85/16/70/444851670.db2.gz UKXNJLMJXIVIKF-IRXDYDNUSA-N 2 0 347.459 1.220 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)C1=O ZINC000337041374 444913492 /nfs/dbraw/zinc/91/34/92/444913492.db2.gz BKWREOXUQCRVMB-HZPDHXFCSA-N 2 0 344.459 1.381 20 0 EDADRP CC(C)[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+]1CCCCC1 ZINC000342949186 444959716 /nfs/dbraw/zinc/95/97/16/444959716.db2.gz BWAUONCEXMJLLS-QZTJIDSGSA-N 2 0 339.524 1.850 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC[C@H](F)C1 ZINC000344519599 445029868 /nfs/dbraw/zinc/02/98/68/445029868.db2.gz GBDFULDWKVGHAA-JKSUJKDBSA-N 2 0 349.454 1.784 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000344485448 445004095 /nfs/dbraw/zinc/00/40/95/445004095.db2.gz XXIFAYWDFOQGSA-QGZVFWFLSA-N 2 0 340.512 1.254 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341803380 445009197 /nfs/dbraw/zinc/00/91/97/445009197.db2.gz HZHNBMVEOTZGGN-MRXNPFEDSA-N 2 0 325.522 1.806 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337385047 445058387 /nfs/dbraw/zinc/05/83/87/445058387.db2.gz FKATYOBOPJKNLB-HHXXYDBFSA-N 2 0 348.491 1.434 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000343178846 445119305 /nfs/dbraw/zinc/11/93/05/445119305.db2.gz UWFHBDMTLVGIAN-HOTGVXAUSA-N 2 0 340.512 1.071 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000337574299 445145174 /nfs/dbraw/zinc/14/51/74/445145174.db2.gz VCWJYSXSYRRUDL-DOTOQJQBSA-N 2 0 346.475 1.646 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCN1CCSCC1 ZINC000346999684 445229319 /nfs/dbraw/zinc/22/93/19/445229319.db2.gz YWNCUVSJDRHUFR-WMZOPIPTSA-N 2 0 334.533 1.930 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000343573844 445247024 /nfs/dbraw/zinc/24/70/24/445247024.db2.gz VXFLPPJYKIUUDL-NUJGCVRESA-N 2 0 335.496 1.113 20 0 EDADRP CC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347905636 445255607 /nfs/dbraw/zinc/25/56/07/445255607.db2.gz SDNGYQLGSBYCOQ-INMHGKMJSA-N 2 0 335.496 1.602 20 0 EDADRP CC[C@@H](C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+](CC)CC ZINC000343638067 445274889 /nfs/dbraw/zinc/27/48/89/445274889.db2.gz KTXVNPSFJYDUDB-KRWDZBQOSA-N 2 0 326.529 1.591 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H](C)C2CCC2)C1 ZINC000357033641 445385720 /nfs/dbraw/zinc/38/57/20/445385720.db2.gz HMPGOCWHMZBKFN-RDJZCZTQSA-N 2 0 325.497 1.580 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn(C(C)(C)C)nn1 ZINC000349039011 445484783 /nfs/dbraw/zinc/48/47/83/445484783.db2.gz WLJFGLXNKIQOAI-QGZVFWFLSA-N 2 0 336.528 1.881 20 0 EDADRP CC[C@@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000357170448 445465166 /nfs/dbraw/zinc/46/51/66/445465166.db2.gz FKDDZHPHYZTLQY-MSOLQXFVSA-N 2 0 331.460 1.318 20 0 EDADRP COC[C@]1(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)CCC[NH2+]1 ZINC000357267505 445516687 /nfs/dbraw/zinc/51/66/87/445516687.db2.gz FNJVUBBNBJHQIC-LJQANCHMSA-N 2 0 345.443 1.993 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000349058885 445490068 /nfs/dbraw/zinc/49/00/68/445490068.db2.gz XDTHGCXJFKBXAZ-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948868 445501486 /nfs/dbraw/zinc/50/14/86/445501486.db2.gz IHIWUOAKBDBOIX-DLBZAZTESA-N 2 0 325.497 1.770 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CN2CC[NH+](CC)CC2)c1 ZINC000360097880 445565264 /nfs/dbraw/zinc/56/52/64/445565264.db2.gz MDLGXIOLJULTKA-UHFFFAOYSA-N 2 0 332.492 1.392 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000362824104 445566176 /nfs/dbraw/zinc/56/61/76/445566176.db2.gz XITBGKZBJXNSES-KRWDZBQOSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000360125546 445581201 /nfs/dbraw/zinc/58/12/01/445581201.db2.gz PLGFSESUXMTRTC-HZPDHXFCSA-N 2 0 340.512 1.610 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362771529 445542455 /nfs/dbraw/zinc/54/24/55/445542455.db2.gz YTSGWVSGEGDQOF-UHFFFAOYSA-N 2 0 346.519 1.752 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000356086989 445612308 /nfs/dbraw/zinc/61/23/08/445612308.db2.gz BOLSTFGYJYSIFE-INIZCTEOSA-N 2 0 343.431 1.645 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000353475478 445618698 /nfs/dbraw/zinc/61/86/98/445618698.db2.gz XRIGXMAMFAOMEQ-ROUUACIJSA-N 2 0 331.460 1.970 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358512858 445625716 /nfs/dbraw/zinc/62/57/16/445625716.db2.gz UOUSLYXRXHJLDF-UHFFFAOYSA-N 2 0 331.460 1.429 20 0 EDADRP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358519762 445630443 /nfs/dbraw/zinc/63/04/43/445630443.db2.gz SONCOMLXTIGBSL-UHFFFAOYSA-N 2 0 345.487 1.915 20 0 EDADRP CCOCCN1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000349642161 445631540 /nfs/dbraw/zinc/63/15/40/445631540.db2.gz FOQKBGDWZAJMAL-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000360217337 445634346 /nfs/dbraw/zinc/63/43/46/445634346.db2.gz FOAQWUOUYULXAC-UHFFFAOYSA-N 3 0 340.556 1.839 20 0 EDADRP CN1CCN(c2ncc(CN[C@@H](CO)c3ccsc3)cn2)CC1 ZINC000349706541 445651454 /nfs/dbraw/zinc/65/14/54/445651454.db2.gz UYYFJADXJVNZKV-HNNXBMFYSA-N 2 0 333.461 1.113 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000349732335 445658400 /nfs/dbraw/zinc/65/84/00/445658400.db2.gz GDVJIPOJZIYJIL-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363053086 445662236 /nfs/dbraw/zinc/66/22/36/445662236.db2.gz CXDUTXXFWKLQRO-GJZGRUSLSA-N 2 0 329.510 1.041 20 0 EDADRP Cn1nnc2cc(C[NH2+]CC(=O)NCC[NH+]3CCCCCC3)ccc21 ZINC000353674295 445702381 /nfs/dbraw/zinc/70/23/81/445702381.db2.gz UKDBPPCIECMLOB-UHFFFAOYSA-N 2 0 344.463 1.050 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000358678501 445711610 /nfs/dbraw/zinc/71/16/10/445711610.db2.gz GVIBWGFWXDEPEM-LJQANCHMSA-N 2 0 348.491 1.394 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C1CC[NH2+]CC1 ZINC000353729153 445727663 /nfs/dbraw/zinc/72/76/63/445727663.db2.gz ZRGWFSVTKZIELS-UHFFFAOYSA-N 2 0 331.460 1.259 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000358721181 445741672 /nfs/dbraw/zinc/74/16/72/445741672.db2.gz IILNWPNHAAGPDJ-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353931361 445816947 /nfs/dbraw/zinc/81/69/47/445816947.db2.gz YPWUSSDYTLPLOF-HOCLYGCPSA-N 2 0 328.526 1.597 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCc2ccccc21 ZINC000363407250 445791742 /nfs/dbraw/zinc/79/17/42/445791742.db2.gz VCMKUJBHGJMRQU-YWZLYKJASA-N 2 0 327.472 1.990 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358846565 445807412 /nfs/dbraw/zinc/80/74/12/445807412.db2.gz KTOGAEATZCUESB-WBVHZDCISA-N 2 0 325.497 1.412 20 0 EDADRP COC1(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CCCC1 ZINC000361554534 445815902 /nfs/dbraw/zinc/81/59/02/445815902.db2.gz UCEBECCTLNZPOI-GOSISDBHSA-N 2 0 339.524 1.672 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356526358 445841692 /nfs/dbraw/zinc/84/16/92/445841692.db2.gz PFKMMPHLVKRECL-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP [NH3+]Cc1cc(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccn1 ZINC000361609998 445846927 /nfs/dbraw/zinc/84/69/27/445846927.db2.gz KXSWHMKBSSFRHO-KRWDZBQOSA-N 2 0 338.455 1.835 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350617566 445855221 /nfs/dbraw/zinc/85/52/21/445855221.db2.gz GBKZZHFAVBWWMI-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358938503 445857666 /nfs/dbraw/zinc/85/76/66/445857666.db2.gz LJFWFMUBYAIMIK-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000582243392 325805509 /nfs/dbraw/zinc/80/55/09/325805509.db2.gz LYCWOUNMXKTVRL-WMLDXEAASA-N 2 0 346.475 1.695 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000356644511 445909364 /nfs/dbraw/zinc/90/93/64/445909364.db2.gz AMNOBLUNMICBQI-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)N[C@H](C)CC)CC2)CC1 ZINC000369156978 445960076 /nfs/dbraw/zinc/96/00/76/445960076.db2.gz QGZKWVVOZGECNR-SJORKVTESA-N 2 0 338.540 1.782 20 0 EDADRP Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@H]3CCn4ccnc4C3)C2=O)cn1 ZINC000366014809 445962374 /nfs/dbraw/zinc/96/23/74/445962374.db2.gz ZEPJORUKAJMVLQ-GOEBONIOSA-N 2 0 342.447 1.306 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@]2(F)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000364864295 445962541 /nfs/dbraw/zinc/96/25/41/445962541.db2.gz GNDOTXDJJRESPE-HKUYNNGSSA-N 2 0 348.466 1.183 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000361832892 445990114 /nfs/dbraw/zinc/99/01/14/445990114.db2.gz KSRKPNGDBUTALO-KRWDZBQOSA-N 2 0 334.464 1.843 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000361790682 445948388 /nfs/dbraw/zinc/94/83/88/445948388.db2.gz VPZZWBWTYAKURL-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CC[NH2+][C@@H]2C)cc1 ZINC000583025985 325983301 /nfs/dbraw/zinc/98/33/01/325983301.db2.gz JXLJAIBXFWGGRB-OLMNPRSZSA-N 2 0 331.460 1.946 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000583811674 326144808 /nfs/dbraw/zinc/14/48/08/326144808.db2.gz PAJUQGGPZHBQFG-HOTGVXAUSA-N 2 0 334.468 1.163 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000584229374 326224416 /nfs/dbraw/zinc/22/44/16/326224416.db2.gz UHIDNRFLZGTYQR-GBESFXJTSA-N 2 0 344.503 1.479 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]12 ZINC000351476250 446077383 /nfs/dbraw/zinc/07/73/83/446077383.db2.gz KHXNVAKXODXETJ-BZUAXINKSA-N 2 0 330.432 1.072 20 0 EDADRP C([NH+]1CC[C@H]2OCC[C@H]2C1)C1(C[N@@H+]2CC[C@H]3OCC[C@H]3C2)COC1 ZINC000369648158 446140262 /nfs/dbraw/zinc/14/02/62/446140262.db2.gz NSGUSIWICNXJHS-WNRNVDISSA-N 2 0 336.476 1.225 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000356894387 446101337 /nfs/dbraw/zinc/10/13/37/446101337.db2.gz LBBONSUXGBSFTQ-SJORKVTESA-N 2 0 327.513 1.802 20 0 EDADRP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369647192 446140353 /nfs/dbraw/zinc/14/03/53/446140353.db2.gz IWBZDEVWEVCHQN-LJQANCHMSA-N 2 0 348.535 1.488 20 0 EDADRP Cc1cnc(N(C)CC[N@H+](C)C2CC2)nc1N(C)CC[NH+](C)C1CC1 ZINC000351583125 446180466 /nfs/dbraw/zinc/18/04/66/446180466.db2.gz HFYXDPQBLJUUFD-UHFFFAOYSA-N 2 0 346.523 1.846 20 0 EDADRP C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317752 446145955 /nfs/dbraw/zinc/14/59/55/446145955.db2.gz YDKHCCSBGSVSRK-UTUOFQBUSA-N 2 0 325.359 1.766 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412574 446208277 /nfs/dbraw/zinc/20/82/77/446208277.db2.gz GWLGGGMYOLSHAG-RHSMWYFYSA-N 2 0 337.489 1.656 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@](C)(O)C(=O)OC(C)(C)C ZINC000362099507 446212833 /nfs/dbraw/zinc/21/28/33/446212833.db2.gz VATBWFBTSRPONH-GOSISDBHSA-N 2 0 346.431 1.758 20 0 EDADRP CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000362157690 446241452 /nfs/dbraw/zinc/24/14/52/446241452.db2.gz VSGXOMLSERKCGO-FQEVSTJZSA-N 2 0 345.487 1.649 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@@H]1SC ZINC000362322203 446319107 /nfs/dbraw/zinc/31/91/07/446319107.db2.gz MCVNYWNBOZEBAD-BARDWOONSA-N 2 0 329.510 1.072 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000370587522 446344120 /nfs/dbraw/zinc/34/41/20/446344120.db2.gz IPPQKSUAVWFMPX-QFBILLFUSA-N 2 0 347.507 1.651 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000370601553 446351349 /nfs/dbraw/zinc/35/13/49/446351349.db2.gz ACMVHRBJYMNVNN-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000417502013 446356136 /nfs/dbraw/zinc/35/61/36/446356136.db2.gz BCQVSNRNGJWHCP-CALCHBBNSA-N 2 0 346.475 1.030 20 0 EDADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCC(=O)N1CCOCC1)CC2)C1CC1 ZINC000374294624 446361069 /nfs/dbraw/zinc/36/10/69/446361069.db2.gz HMXRFNSLDVZIAQ-INIZCTEOSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@H](CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000417822929 446374251 /nfs/dbraw/zinc/37/42/51/446374251.db2.gz XOLWCLNUOZSCRP-AEFFLSMTSA-N 2 0 348.491 1.575 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000365871996 446381173 /nfs/dbraw/zinc/38/11/73/446381173.db2.gz SWXFAGVWPFBBPP-CABCVRRESA-N 2 0 326.485 1.221 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417907423 446382041 /nfs/dbraw/zinc/38/20/41/446382041.db2.gz FAGOMEWWIQQWAS-ZIAGYGMSSA-N 2 0 332.439 1.651 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C1 ZINC000417908620 446383747 /nfs/dbraw/zinc/38/37/47/446383747.db2.gz GTOZXEPLSJVMHN-OKZBNKHCSA-N 2 0 336.524 1.995 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000365881979 446385839 /nfs/dbraw/zinc/38/58/39/446385839.db2.gz DYTXQFQRYFLIKY-GOSISDBHSA-N 2 0 344.503 1.600 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000418171722 446445376 /nfs/dbraw/zinc/44/53/76/446445376.db2.gz VJFNMUXMHRJMGJ-ZIAGYGMSSA-N 2 0 336.436 1.093 20 0 EDADRP O=C([C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366987429 446446218 /nfs/dbraw/zinc/44/62/18/446446218.db2.gz HYCUSLXQLQKOBH-JQHSSLGASA-N 2 0 347.434 1.237 20 0 EDADRP C[C@H]([NH2+]CCC[NH3+])c1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC000423176277 446446835 /nfs/dbraw/zinc/44/68/35/446446835.db2.gz GKYPSQJIJFSEAQ-AWEZNQCLSA-N 2 0 325.478 1.861 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423191406 446448352 /nfs/dbraw/zinc/44/83/52/446448352.db2.gz STKPYQWWGJUWRC-MJGOQNOKSA-N 3 0 331.504 1.991 20 0 EDADRP CC(C)[C@@H]1OCCC[C@H]1Nc1ccnc(NC[C@H]2C[NH2+]CCCO2)n1 ZINC000420285786 446451085 /nfs/dbraw/zinc/45/10/85/446451085.db2.gz ZUHPAVLEQZJOTB-INMHGKMJSA-N 2 0 349.479 1.883 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)[C@H](C)C[NH2+]1 ZINC000417989373 446409449 /nfs/dbraw/zinc/40/94/49/446409449.db2.gz JKYXJRPYELBLLK-RKVPGOIHSA-N 2 0 346.475 1.145 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000418008205 446413956 /nfs/dbraw/zinc/41/39/56/446413956.db2.gz GWOGXPHYBQLTQK-OWYHZJEWSA-N 2 0 342.487 1.900 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423207931 446454115 /nfs/dbraw/zinc/45/41/15/446454115.db2.gz SMBFFHNNAWSZJS-PWRODBHTSA-N 3 0 342.531 1.782 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418192238 446455759 /nfs/dbraw/zinc/45/57/59/446455759.db2.gz MEEFSTMQGURTOM-GOEBONIOSA-N 2 0 349.479 1.291 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000420291443 446455966 /nfs/dbraw/zinc/45/59/66/446455966.db2.gz NNJYHMWRYVKRDL-SFHVURJKSA-N 2 0 344.503 1.323 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000418220564 446462702 /nfs/dbraw/zinc/46/27/02/446462702.db2.gz HDGYAKCNDHLMNA-QGZVFWFLSA-N 2 0 334.464 1.488 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]([NH3+])C2CCC2)cc1 ZINC000423294019 446474969 /nfs/dbraw/zinc/47/49/69/446474969.db2.gz AYIRUJKPBACGFQ-KRWDZBQOSA-N 2 0 346.475 1.824 20 0 EDADRP CCS(=O)(=O)C[C@H](C)N(C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311456 446476394 /nfs/dbraw/zinc/47/63/94/446476394.db2.gz VYZNZYOUKVBFDP-DZGCQCFKSA-N 2 0 328.478 1.493 20 0 EDADRP C[C@H]1CN(CCN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318441 446483437 /nfs/dbraw/zinc/48/34/37/446483437.db2.gz WDHFYVVETKEXJF-IRXDYDNUSA-N 2 0 347.507 1.085 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000420317585 446484345 /nfs/dbraw/zinc/48/43/45/446484345.db2.gz ZMRRRZWGYRZSKB-IMJJTQAJSA-N 2 0 331.416 1.471 20 0 EDADRP COCC1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000418289284 446485833 /nfs/dbraw/zinc/48/58/33/446485833.db2.gz JDVFERHHLOYIQO-HNNXBMFYSA-N 2 0 326.485 1.034 20 0 EDADRP CN1CCN(C(=O)CC2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000420319379 446486555 /nfs/dbraw/zinc/48/65/55/446486555.db2.gz PEXTWZUKVRFCRR-GOSISDBHSA-N 2 0 336.524 1.252 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCCCCC1 ZINC000418287799 446484857 /nfs/dbraw/zinc/48/48/57/446484857.db2.gz VBRZZHBHGDGYGI-OAHLLOKOSA-N 2 0 326.485 1.184 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418285253 446484984 /nfs/dbraw/zinc/48/49/84/446484984.db2.gz ORMYMDLEENRTKE-UHFFFAOYSA-N 2 0 339.528 1.317 20 0 EDADRP C[N@H+](CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000423330822 446490868 /nfs/dbraw/zinc/49/08/68/446490868.db2.gz NWAHLTBEJHMWOX-AWEZNQCLSA-N 2 0 333.480 1.871 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC2CC[NH2+]CC2)CC1 ZINC000418316216 446495915 /nfs/dbraw/zinc/49/59/15/446495915.db2.gz ZIKQMVCDXIFRNY-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(COc1ccc(F)cc1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420327325 446496232 /nfs/dbraw/zinc/49/62/32/446496232.db2.gz YIFOVMZNMAJLJH-HNNXBMFYSA-N 2 0 335.423 1.348 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423334002 446492803 /nfs/dbraw/zinc/49/28/03/446492803.db2.gz QFTMLARFYMTEKO-CABCVRRESA-N 2 0 333.480 1.491 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000423337772 446494713 /nfs/dbraw/zinc/49/47/13/446494713.db2.gz VOXTWAAMDOCORS-GJZGRUSLSA-N 2 0 325.522 1.852 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000423337774 446495143 /nfs/dbraw/zinc/49/51/43/446495143.db2.gz VOXTWAAMDOCORS-LSDHHAIUSA-N 2 0 325.522 1.852 20 0 EDADRP CC[NH2+]CCNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418332604 446503176 /nfs/dbraw/zinc/50/31/76/446503176.db2.gz ZQFLHSLONKAPBN-IBGZPJMESA-N 2 0 330.476 1.904 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000423368257 446504111 /nfs/dbraw/zinc/50/41/11/446504111.db2.gz FASRNPBOQBUXDO-HNAYVOBHSA-N 2 0 345.487 1.648 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCCC12CCOCC2)N1CC[NH2+]CC1 ZINC000423398575 446516210 /nfs/dbraw/zinc/51/62/10/446516210.db2.gz VPKMHYNBFMLKDG-UONOGXRCSA-N 2 0 335.414 1.761 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)N1CCc2ccccc2C1 ZINC000420335372 446506661 /nfs/dbraw/zinc/50/66/61/446506661.db2.gz HFBVQLJOYAJMNV-ZWKOTPCHSA-N 2 0 327.472 1.893 20 0 EDADRP C[C@@H](NC(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccc(F)cc1 ZINC000420337077 446508248 /nfs/dbraw/zinc/50/82/48/446508248.db2.gz WJHASSUWCNYPHD-XVSDVWIESA-N 2 0 349.450 1.831 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000423376078 446509102 /nfs/dbraw/zinc/50/91/02/446509102.db2.gz AJHDQXQSPWQNOK-JKSUJKDBSA-N 2 0 340.512 1.151 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000423380398 446510200 /nfs/dbraw/zinc/51/02/00/446510200.db2.gz YQPUDIVASXQGHC-MELADBBJSA-N 2 0 325.478 1.871 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CC1 ZINC000420341634 446513568 /nfs/dbraw/zinc/51/35/68/446513568.db2.gz VITYWBWMYPACLH-XVSDVWIESA-N 2 0 335.492 1.604 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341858 446513838 /nfs/dbraw/zinc/51/38/38/446513838.db2.gz QLXNFLRYLIIHGL-KZNAEPCWSA-N 2 0 330.476 1.089 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423393274 446514815 /nfs/dbraw/zinc/51/48/15/446514815.db2.gz OXCHQGUANPLEEV-ZIAGYGMSSA-N 2 0 333.402 1.333 20 0 EDADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000423396663 446516616 /nfs/dbraw/zinc/51/66/16/446516616.db2.gz UCVBOTXXRQDYNH-ABAIWWIYSA-N 2 0 345.365 1.902 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000423517298 446559067 /nfs/dbraw/zinc/55/90/67/446559067.db2.gz XVKSGYBLEJHOQD-NRNWYNIKSA-N 2 0 337.508 1.770 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418493375 446564692 /nfs/dbraw/zinc/56/46/92/446564692.db2.gz WFSTYPBVCHINMI-HKUYNNGSSA-N 2 0 342.443 1.205 20 0 EDADRP C[C@H](C(=O)N1CCc2sccc2C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344765 446517129 /nfs/dbraw/zinc/51/71/29/446517129.db2.gz USJNWFONEPRRTO-KFWWJZLASA-N 2 0 333.501 1.953 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345742 446519824 /nfs/dbraw/zinc/51/98/24/446519824.db2.gz WNQNNFNDOAGYFH-HZPDHXFCSA-N 2 0 344.459 1.436 20 0 EDADRP O=C(CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)Nc1cc(F)cc(F)c1 ZINC000420348330 446523421 /nfs/dbraw/zinc/52/34/21/446523421.db2.gz KVWPYVHZJANQAC-INIZCTEOSA-N 2 0 338.402 1.273 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418388126 446524356 /nfs/dbraw/zinc/52/43/56/446524356.db2.gz POLKZWWFTQVAKB-SJORKVTESA-N 2 0 333.480 1.528 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418393484 446525850 /nfs/dbraw/zinc/52/58/50/446525850.db2.gz WXUKHVJSQBYFFK-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1ccccc1F ZINC000433152160 446538579 /nfs/dbraw/zinc/53/85/79/446538579.db2.gz KYOJAKNPGQVJIY-AWEZNQCLSA-N 2 0 337.439 1.913 20 0 EDADRP Cc1ccc([C@H](CNC(=O)CCC[NH+]2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000433163800 446541404 /nfs/dbraw/zinc/54/14/04/446541404.db2.gz PNVJKHCMOYCOCS-IBGZPJMESA-N 3 0 346.519 1.917 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418437880 446541790 /nfs/dbraw/zinc/54/17/90/446541790.db2.gz LJEVDSSYHFBKJA-GJZGRUSLSA-N 2 0 326.485 1.432 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418469350 446554912 /nfs/dbraw/zinc/55/49/12/446554912.db2.gz PHSDLOQERTYRTP-IEBWSBKVSA-N 2 0 346.475 1.002 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418610568 446614398 /nfs/dbraw/zinc/61/43/98/446614398.db2.gz AKNHKAOTVNJJQJ-KRWDZBQOSA-N 2 0 347.507 1.054 20 0 EDADRP CCCCOCCNC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420398022 446572344 /nfs/dbraw/zinc/57/23/44/446572344.db2.gz YEMRUDOAIVBREC-DLBZAZTESA-N 2 0 341.496 1.138 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@H](C[NH+](C)C)C2)CCCO1 ZINC000433465770 446579264 /nfs/dbraw/zinc/57/92/64/446579264.db2.gz IXWIJISRDNHNQX-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433466040 446579910 /nfs/dbraw/zinc/57/99/10/446579910.db2.gz KORGSBBBDVFJQL-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC[NH+]3CCCC3)ccc21 ZINC000453652344 446582591 /nfs/dbraw/zinc/58/25/91/446582591.db2.gz ZSUOUJMTZULLPI-QGZVFWFLSA-N 2 0 344.459 1.386 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409401 446582797 /nfs/dbraw/zinc/58/27/97/446582797.db2.gz VNULWNPIQZDDHT-FHLIZLRMSA-N 2 0 328.460 1.968 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418530110 446583792 /nfs/dbraw/zinc/58/37/92/446583792.db2.gz ALFJCGSJQRLECH-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000418546307 446587717 /nfs/dbraw/zinc/58/77/17/446587717.db2.gz JKFWLGZMHTVQET-IRXDYDNUSA-N 2 0 334.464 1.344 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418563342 446594578 /nfs/dbraw/zinc/59/45/78/446594578.db2.gz HRGKIDVWFPQVBW-FFSVYQOJSA-N 2 0 340.418 1.837 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000418696495 446651420 /nfs/dbraw/zinc/65/14/20/446651420.db2.gz KYOOUAJLNXTQJE-GJZGRUSLSA-N 2 0 334.464 1.648 20 0 EDADRP C[NH+](C)CCN(C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C1CCCC1 ZINC000423709371 446652252 /nfs/dbraw/zinc/65/22/52/446652252.db2.gz IPFLIZHBGNLUCJ-MRXNPFEDSA-N 2 0 333.480 1.754 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000423707800 446652672 /nfs/dbraw/zinc/65/26/72/446652672.db2.gz FRFJKSGGKZDXQN-UHFFFAOYSA-N 2 0 334.468 1.108 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000376703117 446661830 /nfs/dbraw/zinc/66/18/30/446661830.db2.gz ZKQDBMMWEQKZGK-MSOLQXFVSA-N 2 0 337.508 1.964 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)cc1 ZINC000423732703 446666159 /nfs/dbraw/zinc/66/61/59/446666159.db2.gz PAXOMWIJNMXENE-MSOLQXFVSA-N 2 0 347.459 1.236 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418781850 446700392 /nfs/dbraw/zinc/70/03/92/446700392.db2.gz DLCQXOALXSPFPN-KBPBESRZSA-N 2 0 333.436 1.049 20 0 EDADRP CN(C[C@@H]1CCC[NH+]1C)c1cncc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420632766 446712791 /nfs/dbraw/zinc/71/27/91/446712791.db2.gz IBGNIAJBJKGWON-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP CSC[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C[C@H](O)CSC)CC2 ZINC000375316156 446714494 /nfs/dbraw/zinc/71/44/94/446714494.db2.gz WKMJAELFRXSCER-GJZGRUSLSA-N 2 0 348.578 1.222 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000368230265 446724709 /nfs/dbraw/zinc/72/47/09/446724709.db2.gz WFFZVDMUCOAPTK-KSZLIROESA-N 2 0 336.524 1.010 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418761151 446680441 /nfs/dbraw/zinc/68/04/41/446680441.db2.gz HNQQNRRPNJSDRP-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3(c4ccccc4)CC[NH2+]C3)CC[C@@H]21 ZINC000423899010 446750319 /nfs/dbraw/zinc/75/03/19/446750319.db2.gz ITGLEAPTBYBRRQ-IMFGXOCKSA-N 2 0 327.472 1.860 20 0 EDADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)[C@@H]1COCCN1 ZINC000423918966 446766178 /nfs/dbraw/zinc/76/61/78/446766178.db2.gz QBISWQMIJNHLFB-YDHLFZDLSA-N 2 0 341.452 1.107 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CCCCCC1 ZINC000418895428 446778804 /nfs/dbraw/zinc/77/88/04/446778804.db2.gz CYRRJKMBNXGOOX-LSDHHAIUSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000371331295 446779886 /nfs/dbraw/zinc/77/98/86/446779886.db2.gz GMAJRNSMTSCWJZ-GOSISDBHSA-N 2 0 327.476 1.935 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423934694 446785123 /nfs/dbraw/zinc/78/51/23/446785123.db2.gz WMNOYCPIIFAFDE-HLLBOEOZSA-N 2 0 335.496 1.650 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)C[C@@H]21 ZINC000454143505 446789689 /nfs/dbraw/zinc/78/96/89/446789689.db2.gz SQKFVNONATYRCI-MJGOQNOKSA-N 2 0 342.487 1.997 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423959484 446798033 /nfs/dbraw/zinc/79/80/33/446798033.db2.gz CJOIJYMHIVUPGE-GOSISDBHSA-N 2 0 332.492 1.610 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1cccc(F)c1 ZINC000424003926 446817670 /nfs/dbraw/zinc/81/76/70/446817670.db2.gz AJLZMYHXGDWXSS-ITQYTPKQSA-N 2 0 331.435 1.859 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000368346520 446802117 /nfs/dbraw/zinc/80/21/17/446802117.db2.gz DDWLNVYFDBUTMQ-AWEZNQCLSA-N 2 0 327.423 1.406 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424154056 446859669 /nfs/dbraw/zinc/85/96/69/446859669.db2.gz KZLJTIJHOIJIMJ-QXSJWSMHSA-N 2 0 348.495 1.299 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000424453244 446874169 /nfs/dbraw/zinc/87/41/69/446874169.db2.gz JYVOAQDOGQMXIA-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)c1 ZINC000419031201 446874732 /nfs/dbraw/zinc/87/47/32/446874732.db2.gz ULOLVWUAWDDAAJ-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424458639 446877135 /nfs/dbraw/zinc/87/71/35/446877135.db2.gz UOILXCLOYZFUFJ-DZGCQCFKSA-N 2 0 346.475 1.629 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000424461941 446878775 /nfs/dbraw/zinc/87/87/75/446878775.db2.gz DVMKOAUIYGCBCC-UHFFFAOYSA-N 2 0 344.459 1.525 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000419079753 446910936 /nfs/dbraw/zinc/91/09/36/446910936.db2.gz NTJPHLSFEAYTRS-GJZGRUSLSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)C1=CC[NH+](C)CC1 ZINC000371587993 446935217 /nfs/dbraw/zinc/93/52/17/446935217.db2.gz ITMJWUKYFQPJPY-DKIMLUQUSA-N 2 0 332.492 1.763 20 0 EDADRP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420977358 446949433 /nfs/dbraw/zinc/94/94/33/446949433.db2.gz HVBMZNLQLMEFHL-SJORKVTESA-N 2 0 338.540 1.782 20 0 EDADRP CC[NH+]1CCC(N2CCCN([C@H](C)C(=O)NCC(C)C)CC2)CC1 ZINC000420979303 446951497 /nfs/dbraw/zinc/95/14/97/446951497.db2.gz KJBCKHREYJGPCK-QGZVFWFLSA-N 2 0 338.540 1.639 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)NCC(C)(C)[NH3+])[NH+]2CCCC2)cc1 ZINC000419145023 446959255 /nfs/dbraw/zinc/95/92/55/446959255.db2.gz GFTIHTMZJLSFGR-INIZCTEOSA-N 2 0 346.475 1.102 20 0 EDADRP COCC[C@@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000372120833 447013952 /nfs/dbraw/zinc/01/39/52/447013952.db2.gz GCOYCGBOCGUYMQ-IBGZPJMESA-N 2 0 349.475 1.259 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000419173348 446989350 /nfs/dbraw/zinc/98/93/50/446989350.db2.gz SKLXGSDFYSITQT-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@H]4[NH2+]3)CC2)C1 ZINC000372098757 447000980 /nfs/dbraw/zinc/00/09/80/447000980.db2.gz NCOZNFWADOKHCY-XDNAFOTISA-N 2 0 334.508 1.146 20 0 EDADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372368917 447050190 /nfs/dbraw/zinc/05/01/90/447050190.db2.gz LKEGNDLLLXHFTQ-SFHVURJKSA-N 2 0 345.487 1.933 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000372399558 447056708 /nfs/dbraw/zinc/05/67/08/447056708.db2.gz OJMSIUNMDGSVPS-AZUAARDMSA-N 2 0 345.487 1.956 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CC)C2)[C@H](C)C1 ZINC000413300670 447124512 /nfs/dbraw/zinc/12/45/12/447124512.db2.gz VOJOWTLGULMHFY-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C[C@@H]1CCn2ccnc2C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372525671 447110098 /nfs/dbraw/zinc/11/00/98/447110098.db2.gz HVQIWQJPPDVBSV-WBVHZDCISA-N 2 0 346.475 1.547 20 0 EDADRP CC[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000444187715 447091537 /nfs/dbraw/zinc/09/15/37/447091537.db2.gz SNLGJCFGIITIDH-QWFCFKBJSA-N 2 0 327.472 1.939 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000419327333 447094453 /nfs/dbraw/zinc/09/44/53/447094453.db2.gz ZLYCVEOTYRZKSD-HEHGZKQESA-N 2 0 344.459 1.064 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2ccnn2CC[NH+](C)C)C[C@H]1C ZINC000455656706 447198523 /nfs/dbraw/zinc/19/85/23/447198523.db2.gz KXVAZTAFJIBOCO-CABCVRRESA-N 2 0 336.484 1.781 20 0 EDADRP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000377565612 447209621 /nfs/dbraw/zinc/20/96/21/447209621.db2.gz SZQSVXLZUMKJTD-KSZLIROESA-N 3 0 332.492 1.984 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419486328 447216418 /nfs/dbraw/zinc/21/64/18/447216418.db2.gz XFNRWQLPLKGPQM-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000419527081 447242410 /nfs/dbraw/zinc/24/24/10/447242410.db2.gz UUVOFCVLBQQFNB-SJORKVTESA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000419551013 447259839 /nfs/dbraw/zinc/25/98/39/447259839.db2.gz VNUCRAIWGQGEIW-ZIAGYGMSSA-N 2 0 348.491 1.415 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](C[C@@H]2CCNC(=O)CC2)CC1 ZINC000450450552 447493001 /nfs/dbraw/zinc/49/30/01/447493001.db2.gz HFOVNRDDVWOQOC-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000427291619 447576668 /nfs/dbraw/zinc/57/66/68/447576668.db2.gz IFAJSZJSIDBMJK-QGZVFWFLSA-N 2 0 330.476 1.315 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@@H+]1C ZINC000394408740 447537347 /nfs/dbraw/zinc/53/73/47/447537347.db2.gz MQNKLJDKDHGHGJ-BZUAXINKSA-N 2 0 340.512 1.610 20 0 EDADRP CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000397980872 447553997 /nfs/dbraw/zinc/55/39/97/447553997.db2.gz XDALJDQYXRMCPX-NJAFHUGGSA-N 2 0 334.460 1.801 20 0 EDADRP CCOC(=O)C[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000397980878 447554344 /nfs/dbraw/zinc/55/43/44/447554344.db2.gz XDALJDQYXRMCPX-SZMVWBNQSA-N 2 0 334.460 1.801 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416838990 447694879 /nfs/dbraw/zinc/69/48/79/447694879.db2.gz JRISERLKFPXCBZ-KURKYZTESA-N 2 0 328.460 1.654 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccccc1 ZINC000416850272 447695394 /nfs/dbraw/zinc/69/53/94/447695394.db2.gz ZLNLOQNQGOSMCC-ROUUACIJSA-N 2 0 348.491 1.829 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000416869401 447699122 /nfs/dbraw/zinc/69/91/22/447699122.db2.gz NGSGKAPENYHIGT-CVEARBPZSA-N 2 0 326.485 1.175 20 0 EDADRP O=C(OCc1ccccc1)N1CCC(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000495932777 447653227 /nfs/dbraw/zinc/65/32/27/447653227.db2.gz IQMCNZKNINBFQV-PIIMJCKOSA-N 2 0 329.444 1.843 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000422603827 447665291 /nfs/dbraw/zinc/66/52/91/447665291.db2.gz AFWZNRLKXVLOGT-IUODEOHRSA-N 2 0 340.418 1.837 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000457932420 447677545 /nfs/dbraw/zinc/67/75/45/447677545.db2.gz MASHMLLAJAIRSU-IKGGRYGDSA-N 2 0 340.512 1.253 20 0 EDADRP CN(CCOc1ccccc1F)C(=O)CN1CCC2(CC[NH2+]2)CC1 ZINC000422642641 447686166 /nfs/dbraw/zinc/68/61/66/447686166.db2.gz ZVEHZKFWJJPNES-UHFFFAOYSA-N 2 0 335.423 1.491 20 0 EDADRP CC1(C)COCCN1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422703445 447720398 /nfs/dbraw/zinc/72/03/98/447720398.db2.gz HUTHGVKVAXHXLU-FXAWDEMLSA-N 2 0 345.487 1.943 20 0 EDADRP CC[C@H](NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422711122 447723674 /nfs/dbraw/zinc/72/36/74/447723674.db2.gz GQMASRWRFLITAR-ZWKOTPCHSA-N 2 0 331.508 1.844 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422715825 447725415 /nfs/dbraw/zinc/72/54/15/447725415.db2.gz MTTNYHKFQZQWFS-QZTJIDSGSA-N 3 0 346.523 1.486 20 0 EDADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CNCCO3)C2)cc1 ZINC000422714740 447725484 /nfs/dbraw/zinc/72/54/84/447725484.db2.gz LKTVEVJDEAWHFE-NRSPTQNISA-N 2 0 343.515 1.908 20 0 EDADRP O=C(C1CCCCC1)N1CCN(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422722682 447729091 /nfs/dbraw/zinc/72/90/91/447729091.db2.gz YMRNPSMGFYIJDT-DFNIBXOVSA-N 2 0 348.535 1.584 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422740526 447735235 /nfs/dbraw/zinc/73/52/35/447735235.db2.gz MWNYATPXYPOXOP-BRSBDYLESA-N 2 0 336.524 1.474 20 0 EDADRP Cc1cccc(N2CCC([NH2+][C@H](C3CC3)[C@H]3CNCCO3)CC2)n1 ZINC000422757824 447741727 /nfs/dbraw/zinc/74/17/27/447741727.db2.gz JBGVLIANWHCEML-IEBWSBKVSA-N 3 0 330.476 1.715 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)Cn1ccnn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459715211 447749392 /nfs/dbraw/zinc/74/93/92/447749392.db2.gz PAIBXXXOIIZIGK-CGTJXYLNSA-N 2 0 329.448 1.139 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458226016 447749413 /nfs/dbraw/zinc/74/94/13/447749413.db2.gz BYJUPDHWMFBRFI-KRWDZBQOSA-N 2 0 340.512 1.611 20 0 EDADRP CCOc1c(OC)cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H](C)[NH3+])cc1OC ZINC000422829314 447762821 /nfs/dbraw/zinc/76/28/21/447762821.db2.gz BSOMAUUQNSZWGS-BPLDGKMQSA-N 2 0 338.448 1.944 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000422843837 447766509 /nfs/dbraw/zinc/76/65/09/447766509.db2.gz JTOIPHJQOQCOFG-OKZBNKHCSA-N 2 0 336.524 1.487 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845119 447767765 /nfs/dbraw/zinc/76/77/65/447767765.db2.gz NLJVAUUNVQPXIU-PKOBYXMFSA-N 2 0 344.503 1.703 20 0 EDADRP [NH3+]C1CCC([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000422845457 447767838 /nfs/dbraw/zinc/76/78/38/447767838.db2.gz OCAMYNLXMHNEOK-UHFFFAOYSA-N 2 0 330.476 1.585 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1CCN(C(=O)OC(C)(C)C)C1=O ZINC000496419612 447775808 /nfs/dbraw/zinc/77/58/08/447775808.db2.gz YFNORVUQAMREBJ-UHFFFAOYSA-N 2 0 340.468 1.890 20 0 EDADRP O=C(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NCC(F)(F)F ZINC000422938972 447776667 /nfs/dbraw/zinc/77/66/67/447776667.db2.gz FHWAJHZSHHVPFC-WFASDCNBSA-N 2 0 343.349 1.510 20 0 EDADRP O=C(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NCC(F)(F)F ZINC000422938969 447776979 /nfs/dbraw/zinc/77/69/79/447776979.db2.gz FHWAJHZSHHVPFC-DOMZBBRYSA-N 2 0 343.349 1.510 20 0 EDADRP Cc1c(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)nnn1C1CC[NH2+]CC1 ZINC000430791605 447785649 /nfs/dbraw/zinc/78/56/49/447785649.db2.gz NLFRZIUZVZVHOB-VHRNVKJDSA-N 2 0 346.479 1.256 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000422986772 447788170 /nfs/dbraw/zinc/78/81/70/447788170.db2.gz HHTNZONYMBDFQW-JQHSSLGASA-N 2 0 325.460 1.994 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2ccnn2C)C1 ZINC000423084703 447802572 /nfs/dbraw/zinc/80/25/72/447802572.db2.gz IPEHKOSQHFTSHL-CGTJXYLNSA-N 2 0 327.476 1.937 20 0 EDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1C[C@H](F)CN1Cc1ncccn1 ZINC000470816986 447804146 /nfs/dbraw/zinc/80/41/46/447804146.db2.gz MSZQHYXMTBTJJI-BBWFWOEESA-N 2 0 335.471 1.805 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423098664 447804235 /nfs/dbraw/zinc/80/42/35/447804235.db2.gz DEIHROMESZZCGM-ZIAGYGMSSA-N 2 0 345.534 1.866 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423097268 447804600 /nfs/dbraw/zinc/80/46/00/447804600.db2.gz QOLYECXLZIWMPJ-ZDUSSCGKSA-N 2 0 331.457 1.553 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCOCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000471635912 447806780 /nfs/dbraw/zinc/80/67/80/447806780.db2.gz LKWUNLJJRUNRLH-KRWDZBQOSA-N 2 0 342.528 1.764 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000487574395 447834391 /nfs/dbraw/zinc/83/43/91/447834391.db2.gz MYAYCMLUSQDMBF-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H](CC(F)F)c2ccccc2)CC1 ZINC000569715546 447875674 /nfs/dbraw/zinc/87/56/74/447875674.db2.gz NZGFPQYNQOKEPZ-JKSUJKDBSA-N 2 0 327.419 1.581 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCn3c(C)ncc3C2)CC1 ZINC000575842483 447908979 /nfs/dbraw/zinc/90/89/79/447908979.db2.gz GXDMOSWNLSAUBQ-OAHLLOKOSA-N 2 0 348.491 1.760 20 0 EDADRP COc1ccccc1C[C@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])C(C)C ZINC000569912027 447913752 /nfs/dbraw/zinc/91/37/52/447913752.db2.gz KYMNBBLMOGHZIP-IRXDYDNUSA-N 2 0 348.491 1.547 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N3CCC[C@H]3C)C2)CC1 ZINC000524750643 447948595 /nfs/dbraw/zinc/94/85/95/447948595.db2.gz DSSSWHRFBTTWGR-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000524786079 447954016 /nfs/dbraw/zinc/95/40/16/447954016.db2.gz CXWUSZMNULUTPB-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(F)c(F)c1 ZINC000524903640 447959782 /nfs/dbraw/zinc/95/97/82/447959782.db2.gz YBRLLIJYTLZXAQ-UHFFFAOYSA-N 2 0 328.407 1.600 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2([NH+](C)C)CCCC2)CC1 ZINC000497170720 447919279 /nfs/dbraw/zinc/91/92/79/447919279.db2.gz SMTMQLWPPFXWPX-UHFFFAOYSA-N 2 0 339.484 1.596 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000569947507 447925869 /nfs/dbraw/zinc/92/58/69/447925869.db2.gz TUZXLLBBDKKYPH-MSOLQXFVSA-N 2 0 346.475 1.186 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCCO1 ZINC000569947710 447926033 /nfs/dbraw/zinc/92/60/33/447926033.db2.gz TUZXLLBBDKKYPH-ZWKOTPCHSA-N 2 0 346.475 1.186 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000530678259 447938927 /nfs/dbraw/zinc/93/89/27/447938927.db2.gz BAPMOLHYKUEIQP-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000576196043 447996066 /nfs/dbraw/zinc/99/60/66/447996066.db2.gz LWAWITWRJXRKKE-QRVBRYPASA-N 2 0 349.519 1.745 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000531007223 447999735 /nfs/dbraw/zinc/99/97/35/447999735.db2.gz FAYHHSMZMZUENR-INIZCTEOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H]1[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000491375373 448007435 /nfs/dbraw/zinc/00/74/35/448007435.db2.gz NZYZNMQMQLAWFP-ZFWWWQNUSA-N 2 0 334.468 1.754 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000525813430 448031621 /nfs/dbraw/zinc/03/16/21/448031621.db2.gz NDBCAXUCIQLMAP-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C[C@@]23C[C@@H]2CN(C(=O)OC(C)(C)C)C3)CC1 ZINC000497295462 448048506 /nfs/dbraw/zinc/04/85/06/448048506.db2.gz ARJDACGQPZWMON-RHSMWYFYSA-N 2 0 339.480 1.290 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497263150 448017197 /nfs/dbraw/zinc/01/71/97/448017197.db2.gz JTPLOZAHJHMWAG-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000555575982 448087289 /nfs/dbraw/zinc/08/72/89/448087289.db2.gz XNZRBXBURSIGAW-UHFFFAOYSA-N 2 0 346.479 1.923 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000501742045 448096587 /nfs/dbraw/zinc/09/65/87/448096587.db2.gz AAMWXXATCONZFM-WCVJEAGWSA-N 2 0 326.485 1.220 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000576611664 448097228 /nfs/dbraw/zinc/09/72/28/448097228.db2.gz WYBCEFQGENFJKO-QAPCUYQASA-N 2 0 330.476 1.905 20 0 EDADRP CCC[C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[N@@H+]1CCOC ZINC000571051044 448099799 /nfs/dbraw/zinc/09/97/99/448099799.db2.gz WMNNXLQZNJMSCP-LSDHHAIUSA-N 2 0 349.479 1.060 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000571277454 448124631 /nfs/dbraw/zinc/12/46/31/448124631.db2.gz IUYCXVPDBNUJDC-MJGOQNOKSA-N 2 0 348.487 1.825 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000491903850 448148780 /nfs/dbraw/zinc/14/87/80/448148780.db2.gz IKLOBMXNUCYTKW-YFHOEESVSA-N 2 0 344.503 1.380 20 0 EDADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)CN1CCOCC1 ZINC000576979105 448184848 /nfs/dbraw/zinc/18/48/48/448184848.db2.gz BQWTUTLWRQLLQT-LJQANCHMSA-N 2 0 333.476 1.065 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000577002554 448191486 /nfs/dbraw/zinc/19/14/86/448191486.db2.gz HBYPVFFQUJLGOJ-KRWDZBQOSA-N 2 0 329.448 1.477 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCNC[C@@H]1c1cccnc1 ZINC000514783773 448201736 /nfs/dbraw/zinc/20/17/36/448201736.db2.gz ZHRKZSZRNRTFTM-NVXWUHKLSA-N 2 0 331.464 1.612 20 0 EDADRP CNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000527376456 448220369 /nfs/dbraw/zinc/22/03/69/448220369.db2.gz AJKRWGJBNGFKSO-UHFFFAOYSA-N 2 0 349.479 1.312 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577347238 448270249 /nfs/dbraw/zinc/27/02/49/448270249.db2.gz IOYSQUCCZBCTBE-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000532594751 448278059 /nfs/dbraw/zinc/27/80/59/448278059.db2.gz WKTCRVLGNWRDKF-JKSUJKDBSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000515143222 448265158 /nfs/dbraw/zinc/26/51/58/448265158.db2.gz SFDQFTYGBCUWIN-UKRRQHHQSA-N 2 0 340.418 1.803 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)C[C@H]1c1ccccc1 ZINC000582595836 448284822 /nfs/dbraw/zinc/28/48/22/448284822.db2.gz VPNYAGGIZFDRFD-ZWKOTPCHSA-N 2 0 335.411 1.971 20 0 EDADRP Cc1cncn1CC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000527689674 448338391 /nfs/dbraw/zinc/33/83/91/448338391.db2.gz CFYOEUWTUWZRFK-UHFFFAOYSA-N 2 0 328.416 1.415 20 0 EDADRP C[C@@H](CC(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)[C@H]1CCC[NH2+]C1 ZINC000515655508 448340267 /nfs/dbraw/zinc/34/02/67/448340267.db2.gz JZKAMYASIPHZAK-HOTGVXAUSA-N 2 0 345.491 1.798 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000591358452 448340908 /nfs/dbraw/zinc/34/09/08/448340908.db2.gz OLQATNMWSKFBMH-ZIAGYGMSSA-N 2 0 328.526 1.583 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)[C@H]2CCCO2)CC1 ZINC000527756925 448353551 /nfs/dbraw/zinc/35/35/51/448353551.db2.gz GVCLTORYBWXOHJ-VQTJNVASSA-N 2 0 347.503 1.848 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)CC[NH2+]C2CC2)CC1)Cc1ccccc1 ZINC000516193297 448396398 /nfs/dbraw/zinc/39/63/98/448396398.db2.gz JJUOCXKPZSJAMG-UHFFFAOYSA-N 2 0 344.503 1.405 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000578130674 448468149 /nfs/dbraw/zinc/46/81/49/448468149.db2.gz WTKDNIZLIMEDKO-GJZGRUSLSA-N 2 0 348.491 1.568 20 0 EDADRP CC[C@H](C)[C@@H](O)CNC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1 ZINC000566443442 448472068 /nfs/dbraw/zinc/47/20/68/448472068.db2.gz SJUROMAEVXGGJS-YJBOKZPZSA-N 2 0 339.524 1.706 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000584399595 448511116 /nfs/dbraw/zinc/51/11/16/448511116.db2.gz YERGSSWYHJTJGB-RBUKOAKNSA-N 2 0 342.487 1.732 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H](OC)C[NH2+]1 ZINC000516973654 448513501 /nfs/dbraw/zinc/51/35/01/448513501.db2.gz WLBHIEAKCALRCK-IPMKNSEASA-N 2 0 345.487 1.734 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000517225283 448556196 /nfs/dbraw/zinc/55/61/96/448556196.db2.gz SXKVFUCINHNIME-SJORKVTESA-N 2 0 333.480 1.094 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N(C)CCC[NH3+])CC2)cc1 ZINC000517225046 448556709 /nfs/dbraw/zinc/55/67/09/448556709.db2.gz VMRQVNWKTGNSMV-UHFFFAOYSA-N 2 0 348.491 1.897 20 0 EDADRP OCCN1CCCC[C@@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000573206476 448568205 /nfs/dbraw/zinc/56/82/05/448568205.db2.gz AYDFNLASTZTIPR-HUUCEWRRSA-N 2 0 326.412 1.002 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000566674345 448534680 /nfs/dbraw/zinc/53/46/80/448534680.db2.gz JTXKKIAGCWYEBH-HOTGVXAUSA-N 2 0 345.409 1.530 20 0 EDADRP c1c(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000573120309 448549399 /nfs/dbraw/zinc/54/93/99/448549399.db2.gz LVHMZSBSDNAOKA-DLBZAZTESA-N 2 0 326.448 1.543 20 0 EDADRP COC(=O)CC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000573376747 448612470 /nfs/dbraw/zinc/61/24/70/448612470.db2.gz YRJRZOMBMIZSTR-HNNXBMFYSA-N 2 0 333.432 1.091 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)C1 ZINC000517793303 448619503 /nfs/dbraw/zinc/61/95/03/448619503.db2.gz GKRNNPMIJKBHFN-FHWLQOOXSA-N 2 0 327.472 1.919 20 0 EDADRP C[NH+]1CCC(CCO)(NCc2cncc(Br)c2)CC1 ZINC000517586628 448597096 /nfs/dbraw/zinc/59/70/96/448597096.db2.gz RRGSFOBGZVDCLU-UHFFFAOYSA-N 2 0 328.254 1.781 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000584828644 448646142 /nfs/dbraw/zinc/64/61/42/448646142.db2.gz KQTYNIIQFYCLER-BBWFWOEESA-N 2 0 338.496 1.399 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567268559 448655267 /nfs/dbraw/zinc/65/52/67/448655267.db2.gz GPYIEVGLGYWJIT-IAGOWNOFSA-N 2 0 330.476 1.798 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1 ZINC000578994869 448688708 /nfs/dbraw/zinc/68/87/08/448688708.db2.gz SMDDABURRVIUPV-ZWKOTPCHSA-N 2 0 336.524 1.428 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000518540527 448691104 /nfs/dbraw/zinc/69/11/04/448691104.db2.gz QMHWDHOWPBBHAF-OAHLLOKOSA-N 2 0 342.447 1.239 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cn(CC[NH3+])nn2)[C@@H]1c1cccs1 ZINC000579025438 448698826 /nfs/dbraw/zinc/69/88/26/448698826.db2.gz CNOHWULMRADSGC-SWLSCSKDSA-N 2 0 348.476 1.111 20 0 EDADRP COC(=O)[C@@H]1C[NH+]([C@@H](C)CC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129622 448699567 /nfs/dbraw/zinc/69/95/67/448699567.db2.gz KUDHTKODIRJLAV-IBEHDNSVSA-N 2 0 340.464 1.247 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000578969120 448680206 /nfs/dbraw/zinc/68/02/06/448680206.db2.gz GFHKSYPLQMQCNL-NZSAHSFTSA-N 2 0 342.487 1.732 20 0 EDADRP COC1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]CC1 ZINC000567392118 448684637 /nfs/dbraw/zinc/68/46/37/448684637.db2.gz FLTCOPJXNTXLQV-UHFFFAOYSA-N 2 0 346.475 1.141 20 0 EDADRP Cc1csc([C@@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000544691023 448766303 /nfs/dbraw/zinc/76/63/03/448766303.db2.gz IQGADJPCCOQBKB-ZDUSSCGKSA-N 2 0 341.525 1.690 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000573906048 448740941 /nfs/dbraw/zinc/74/09/41/448740941.db2.gz RTWWDZVWCJCXDI-MRXNPFEDSA-N 2 0 338.496 1.130 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000519635149 448806876 /nfs/dbraw/zinc/80/68/76/448806876.db2.gz UZEHVBGJQYSIHD-NVXWUHKLSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000545300791 448786865 /nfs/dbraw/zinc/78/68/65/448786865.db2.gz ZUUDRQJSMXNUIG-LSDHHAIUSA-N 2 0 329.444 1.993 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2Cc3ccccc3[C@@H]2OC)CC1 ZINC000579446165 448794010 /nfs/dbraw/zinc/79/40/10/448794010.db2.gz MFASJIKJFCUKFW-MJGOQNOKSA-N 2 0 331.460 1.489 20 0 EDADRP COCC1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CC[NH2+]CC1 ZINC000579469476 448801297 /nfs/dbraw/zinc/80/12/97/448801297.db2.gz GGDIBBWIPIQOCZ-UHFFFAOYSA-N 2 0 346.475 1.178 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000519691168 448819365 /nfs/dbraw/zinc/81/93/65/448819365.db2.gz NLEORFHMOZZBRU-OKZBNKHCSA-N 2 0 331.460 1.474 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)n1 ZINC000574218140 448821029 /nfs/dbraw/zinc/82/10/29/448821029.db2.gz YWKAFSGCBAWPQV-UHFFFAOYSA-N 2 0 347.438 1.446 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000579580900 448824545 /nfs/dbraw/zinc/82/45/45/448824545.db2.gz ZVLSASLEXKTJDG-JFIYKMOQSA-N 2 0 331.460 1.644 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000568191474 448832361 /nfs/dbraw/zinc/83/23/61/448832361.db2.gz JALRMPYWCIURQH-HOTGVXAUSA-N 2 0 341.521 1.041 20 0 EDADRP Cn1cc([C@@H]2CN(CCC(=O)Nc3ccccc3Cl)C[C@H]2[NH3+])cn1 ZINC000568253840 448846048 /nfs/dbraw/zinc/84/60/48/448846048.db2.gz BXUUJHJJMKTYMY-DZGCQCFKSA-N 2 0 347.850 1.829 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000529359649 448840548 /nfs/dbraw/zinc/84/05/48/448840548.db2.gz MHTKHZQBFQZKDJ-MRXNPFEDSA-N 2 0 336.480 1.025 20 0 EDADRP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529375960 448847881 /nfs/dbraw/zinc/84/78/81/448847881.db2.gz AXOBAUNDWADVFR-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)c2ccccc2CC[NH3+])CC1 ZINC000519830837 448855255 /nfs/dbraw/zinc/85/52/55/448855255.db2.gz YECUBWIMDKEXHL-UHFFFAOYSA-N 2 0 332.492 1.335 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C2([NH3+])CCC2)CC1)Cc1ccccc1 ZINC000574450389 448877279 /nfs/dbraw/zinc/87/72/79/448877279.db2.gz QMXIRAHEVYIWRM-UHFFFAOYSA-N 2 0 330.476 1.144 20 0 EDADRP Cc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000579818353 448884292 /nfs/dbraw/zinc/88/42/92/448884292.db2.gz RYQDQVZDYYWPEC-QUCCMNQESA-N 2 0 345.487 1.830 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000574854252 448969572 /nfs/dbraw/zinc/96/95/72/448969572.db2.gz DIAFJZRVIGNIPZ-QGZVFWFLSA-N 2 0 345.447 1.490 20 0 EDADRP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000521426639 448984466 /nfs/dbraw/zinc/98/44/66/448984466.db2.gz KKOXGMSCEUYANB-ZWKOTPCHSA-N 2 0 339.911 1.859 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)Cn2cnc3c2CCCC3)CC1 ZINC000548377311 449035110 /nfs/dbraw/zinc/03/51/10/449035110.db2.gz IWGBNVSTBYVVML-CQSZACIVSA-N 2 0 334.464 1.066 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000582120823 449016856 /nfs/dbraw/zinc/01/68/56/449016856.db2.gz UGJSSWSNSYPHAJ-RBUKOAKNSA-N 2 0 344.503 1.356 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592958514 449082234 /nfs/dbraw/zinc/08/22/34/449082234.db2.gz ZVEORKAOAJGQTO-OAGGEKHMSA-N 2 0 347.507 1.817 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000575121419 449040854 /nfs/dbraw/zinc/04/08/54/449040854.db2.gz OOFXAHOLAGTXDP-CVEARBPZSA-N 2 0 332.492 1.710 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000589643783 449045926 /nfs/dbraw/zinc/04/59/26/449045926.db2.gz ZIDAKVFYRMDGND-OAHLLOKOSA-N 2 0 342.553 1.987 20 0 EDADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000522059891 449047664 /nfs/dbraw/zinc/04/76/64/449047664.db2.gz BMAZZAPWZYCERY-ICSRJNTNSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522256689 449067972 /nfs/dbraw/zinc/06/79/72/449067972.db2.gz WQRQNLVRTAEJQN-IBGZPJMESA-N 2 0 331.460 1.226 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[NH2+]C[C@H]2C(=O)OC)o1 ZINC000592963695 449086824 /nfs/dbraw/zinc/08/68/24/449086824.db2.gz LWMPBTXQETVKDL-AWEZNQCLSA-N 2 0 337.420 1.099 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000604418252 449227067 /nfs/dbraw/zinc/22/70/67/449227067.db2.gz NMCIIYQAXZHBAA-VQIMIIECSA-N 2 0 347.503 1.941 20 0 EDADRP COC(=O)CCCN1CCC([NH2+][C@H]2Cc3ccccc3NC2=O)CC1 ZINC000600211510 449245892 /nfs/dbraw/zinc/24/58/92/449245892.db2.gz WFSPJQJDSCFJDP-KRWDZBQOSA-N 2 0 345.443 1.557 20 0 EDADRP Cc1cccc(OCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000590798226 449298605 /nfs/dbraw/zinc/29/86/05/449298605.db2.gz FJOLNQKBCKYFST-UHFFFAOYSA-N 2 0 336.480 1.509 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CC2(SC)CC[NH+](C)CC2)n1C ZINC000602023402 449280341 /nfs/dbraw/zinc/28/03/41/449280341.db2.gz INSLVLVIMUCKLZ-UHFFFAOYSA-N 2 0 325.478 1.729 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000595955856 449280764 /nfs/dbraw/zinc/28/07/64/449280764.db2.gz NHSVJMPIMIHBFF-QGZVFWFLSA-N 2 0 342.487 1.184 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)c21 ZINC000595962719 449284380 /nfs/dbraw/zinc/28/43/80/449284380.db2.gz UDBOGJPSKYHDFA-HOTGVXAUSA-N 2 0 345.491 1.571 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000605985798 449433918 /nfs/dbraw/zinc/43/39/18/449433918.db2.gz KTMSTWVUNBULIA-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000614063913 449437861 /nfs/dbraw/zinc/43/78/61/449437861.db2.gz JHGSSPSHRIGEQL-AZUAARDMSA-N 2 0 345.487 1.424 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000598664873 449527079 /nfs/dbraw/zinc/52/70/79/449527079.db2.gz JIHGCLBJEWKVFV-HNNXBMFYSA-N 2 0 339.480 1.158 20 0 EDADRP CSC1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000602335364 449522861 /nfs/dbraw/zinc/52/28/61/449522861.db2.gz YLYKELYGWTZIBT-AWEZNQCLSA-N 2 0 330.542 1.795 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602581026 449685673 /nfs/dbraw/zinc/68/56/73/449685673.db2.gz GRAFGOOHEDKUGA-PVAVHDDUSA-N 2 0 335.517 1.951 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000594926611 449810866 /nfs/dbraw/zinc/81/08/66/449810866.db2.gz UKJCHWSOCNKWCH-KFKAGJAMSA-N 2 0 345.487 1.721 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608361785 449817551 /nfs/dbraw/zinc/81/75/51/449817551.db2.gz QRRADVCRXJXRAO-DLBZAZTESA-N 2 0 341.496 1.007 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000597186037 449861414 /nfs/dbraw/zinc/86/14/14/449861414.db2.gz DLJYLKWZWPTFAH-KRWDZBQOSA-N 2 0 334.460 1.932 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000608648666 449897126 /nfs/dbraw/zinc/89/71/26/449897126.db2.gz YRAWJILRZGCGFE-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612892223 449930511 /nfs/dbraw/zinc/93/05/11/449930511.db2.gz JVZFSNHZCXKADJ-SZVBFZGTSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964573 449960318 /nfs/dbraw/zinc/96/03/18/449960318.db2.gz RMOGQXJXIBCQHM-IRXDYDNUSA-N 2 0 330.476 1.601 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)Cc2ccccc2C1 ZINC000612976539 449967462 /nfs/dbraw/zinc/96/74/62/449967462.db2.gz ZJXZQHFRNSEDLQ-KRWDZBQOSA-N 2 0 342.487 1.527 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476983 450000425 /nfs/dbraw/zinc/00/04/25/450000425.db2.gz NKEDHMWMDNPQJA-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000618560757 450244432 /nfs/dbraw/zinc/24/44/32/450244432.db2.gz MLXHGNYZMMCGRH-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000619904867 450370107 /nfs/dbraw/zinc/37/01/07/450370107.db2.gz QYPVNIKDVMLHSA-HZPDHXFCSA-N 2 0 325.522 1.804 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@H]1C ZINC000619425396 450471288 /nfs/dbraw/zinc/47/12/88/450471288.db2.gz FKYIJJGCEWOMSL-JYJNAYRXSA-N 2 0 325.497 1.580 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000620903602 450558053 /nfs/dbraw/zinc/55/80/53/450558053.db2.gz XEBCTXLWWVBBIZ-QFBILLFUSA-N 2 0 344.503 1.647 20 0 EDADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@@H]1CCSC1 ZINC000621107756 450581455 /nfs/dbraw/zinc/58/14/55/450581455.db2.gz LXQRFLGBULXICT-HZPDHXFCSA-N 2 0 325.522 1.662 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[NH2+]1 ZINC000621160105 450607442 /nfs/dbraw/zinc/60/74/42/450607442.db2.gz YZJOALUCKSBAKB-JKSUJKDBSA-N 2 0 325.522 1.660 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635069737 450620805 /nfs/dbraw/zinc/62/08/05/450620805.db2.gz QXHUITIMPILUTN-MJGOQNOKSA-N 2 0 331.460 1.203 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627332496 450654393 /nfs/dbraw/zinc/65/43/93/450654393.db2.gz BHTOVMXJJBFLQS-BZUAXINKSA-N 2 0 338.496 1.014 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)NC[C@@H]3CCC[N@H+]3C)C2)cc1 ZINC000633081831 450668167 /nfs/dbraw/zinc/66/81/67/450668167.db2.gz MJBGCHLVXPTNDI-ROUUACIJSA-N 2 0 330.476 1.963 20 0 EDADRP Cc1cc(CNC(=O)NC[C@@H]2COCCN2C)cc(N2CCCC2)n1 ZINC000624085362 450700916 /nfs/dbraw/zinc/70/09/16/450700916.db2.gz PEAHDFTVSXZZIL-MRXNPFEDSA-N 2 0 347.463 1.120 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522115 450724702 /nfs/dbraw/zinc/72/47/02/450724702.db2.gz VJNGZRSBXAHZIX-CYBMUJFWSA-N 2 0 341.477 1.607 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000631708501 450725139 /nfs/dbraw/zinc/72/51/39/450725139.db2.gz FAHCTUSYUIAHCC-MRXNPFEDSA-N 2 0 325.478 1.180 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000631709419 450725493 /nfs/dbraw/zinc/72/54/93/450725493.db2.gz KSNVCECCLGSMAG-CQSZACIVSA-N 2 0 343.493 1.217 20 0 EDADRP OC[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1cc(F)c(F)c(F)c1 ZINC000629584941 450750380 /nfs/dbraw/zinc/75/03/80/450750380.db2.gz XMWYABGATLXPOQ-KBPBESRZSA-N 2 0 346.393 1.301 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844793 450814446 /nfs/dbraw/zinc/81/44/46/450814446.db2.gz MOFFHTOQNMQSFI-CYBMUJFWSA-N 2 0 328.445 1.836 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CC[N@H+](C)C3)cn2)CC1 ZINC000635339868 450864207 /nfs/dbraw/zinc/86/42/07/450864207.db2.gz YJDLPSUPVRAUEM-INIZCTEOSA-N 2 0 345.491 1.182 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H]3CCC[N@H+](CCc4ccccc4)C3)C[C@H]21 ZINC000627655459 450871282 /nfs/dbraw/zinc/87/12/82/450871282.db2.gz RNFPYVBFFRHGGO-ZRNYENFQSA-N 2 0 341.499 1.960 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CC[C@H](O)C2)cc1 ZINC000629912356 450878468 /nfs/dbraw/zinc/87/84/68/450878468.db2.gz FGNWWVYCIAVYJJ-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000632008155 450962718 /nfs/dbraw/zinc/96/27/18/450962718.db2.gz IOYYVPLSMLNCPI-MRXNPFEDSA-N 2 0 335.496 1.543 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000626894536 450991523 /nfs/dbraw/zinc/99/15/23/450991523.db2.gz ZWSIBYRODSCVEY-WMLDXEAASA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000635463899 450963979 /nfs/dbraw/zinc/96/39/79/450963979.db2.gz VPNNBMGDACCSIJ-ZIAGYGMSSA-N 2 0 336.455 1.705 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000632026766 450979135 /nfs/dbraw/zinc/97/91/35/450979135.db2.gz LWFFAQYZAQJSRT-CVEARBPZSA-N 2 0 331.526 1.464 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000626922054 451006530 /nfs/dbraw/zinc/00/65/30/451006530.db2.gz OGUVHBSSLVUCIP-MRXNPFEDSA-N 2 0 340.443 1.306 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626935105 451017368 /nfs/dbraw/zinc/01/73/68/451017368.db2.gz XLNWZCFLESHECW-PBWTXFEYSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626947907 451026697 /nfs/dbraw/zinc/02/66/97/451026697.db2.gz JHFZZGXAKYFBME-JZFYCYHFSA-N 2 0 336.524 1.994 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000626963589 451038075 /nfs/dbraw/zinc/03/80/75/451038075.db2.gz TXUSSPONIZMTPP-CABCVRRESA-N 2 0 336.436 1.013 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000632127882 451056625 /nfs/dbraw/zinc/05/66/25/451056625.db2.gz KXPYDLJWBJAOPJ-GOEBONIOSA-N 2 0 329.510 1.217 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000627002977 451068623 /nfs/dbraw/zinc/06/86/23/451068623.db2.gz ZGZPVEYDLQGXPZ-YLFCFFPRSA-N 2 0 338.496 1.194 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627022996 451086667 /nfs/dbraw/zinc/08/66/67/451086667.db2.gz GYOURDLPTVGNMS-OKZBNKHCSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000627038525 451095204 /nfs/dbraw/zinc/09/52/04/451095204.db2.gz JXFHQUUYBZCPSS-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP CN(C(=O)[C@H]1CC[N@@H+]1C1CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000635551751 451047855 /nfs/dbraw/zinc/04/78/55/451047855.db2.gz OFFOHMYRTPOSIO-RTBURBONSA-N 2 0 348.535 1.630 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000627070326 451110343 /nfs/dbraw/zinc/11/03/43/451110343.db2.gz ABWLGNMZHXMEKF-MRXNPFEDSA-N 2 0 334.464 1.617 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC1([NH3+])CCOCC1)c1ccc2ccccc2c1 ZINC000627083525 451117162 /nfs/dbraw/zinc/11/71/62/451117162.db2.gz UXIKVHKBXRDPJE-KRWDZBQOSA-N 2 0 342.443 1.647 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC[N@@H+]1C ZINC000632209335 451117838 /nfs/dbraw/zinc/11/78/38/451117838.db2.gz FIKYMLVRZJFLEG-XMTFNYHQSA-N 2 0 336.524 1.201 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[C@H]1C(F)(F)F ZINC000627100292 451122694 /nfs/dbraw/zinc/12/26/94/451122694.db2.gz JPIVQOVISWCMPV-FRRDWIJNSA-N 2 0 336.402 1.687 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000622438053 451148363 /nfs/dbraw/zinc/14/83/63/451148363.db2.gz LSTRGDAHUJBNQT-UHFFFAOYSA-N 2 0 334.464 1.108 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)CCOCC1 ZINC000627154035 451151911 /nfs/dbraw/zinc/15/19/11/451151911.db2.gz DGYFNVOUPDSQHV-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627200273 451183683 /nfs/dbraw/zinc/18/36/83/451183683.db2.gz NJBCFYCECKJIOC-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cnc4ccccc4n3)C2)CC1 ZINC000628214091 451184742 /nfs/dbraw/zinc/18/47/42/451184742.db2.gz KECPRJKTRZJQMW-HNNXBMFYSA-N 2 0 325.460 1.888 20 0 EDADRP CC1(C)CN(C(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627213644 451191094 /nfs/dbraw/zinc/19/10/94/451191094.db2.gz MNQTVTLWZLPYOX-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@@H]1[C@H](NS(=O)(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000632339800 451210620 /nfs/dbraw/zinc/21/06/20/451210620.db2.gz GCQTTWXJEPCRKZ-NVXWUHKLSA-N 2 0 339.505 1.521 20 0 EDADRP Cc1ccc([C@H](CNC(=O)CN2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000638083716 451247433 /nfs/dbraw/zinc/24/74/33/451247433.db2.gz BREDWIFNCXIBRP-SFHVURJKSA-N 2 0 330.476 1.153 20 0 EDADRP C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C[NH2+]CCO1 ZINC000638085159 451249792 /nfs/dbraw/zinc/24/97/92/451249792.db2.gz OIYJECXRPKMGNO-PBHICJAKSA-N 2 0 337.489 1.455 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000638085830 451251646 /nfs/dbraw/zinc/25/16/46/451251646.db2.gz NFWQCOFAVNCXIL-QGZVFWFLSA-N 2 0 348.491 1.358 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000638086393 451252245 /nfs/dbraw/zinc/25/22/45/451252245.db2.gz YYDGQAQGDIARRI-CYBMUJFWSA-N 2 0 345.472 1.639 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634260800 451254742 /nfs/dbraw/zinc/25/47/42/451254742.db2.gz WDURHUVFEMPENL-SJORKVTESA-N 3 0 339.528 1.186 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117571 451286410 /nfs/dbraw/zinc/28/64/10/451286410.db2.gz MLJHHHGRMQGGKX-UYAOXDASSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@@H](NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1)C1CC[NH+](C)CC1 ZINC000638090229 451255579 /nfs/dbraw/zinc/25/55/79/451255579.db2.gz CTMGJMPHHFPVDM-RVKKMQEKSA-N 2 0 333.476 1.766 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000638090739 451255793 /nfs/dbraw/zinc/25/57/93/451255793.db2.gz LMZPGOXOCFVQKD-WMLDXEAASA-N 2 0 345.447 1.316 20 0 EDADRP CC(C)(C)[C@@]1(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC[NH+](Cc2ccccc2)C1 ZINC000638096207 451260550 /nfs/dbraw/zinc/26/05/50/451260550.db2.gz ZJQYXVRTVZCDFS-NSHGMRRFSA-N 2 0 332.488 1.962 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101073 451267018 /nfs/dbraw/zinc/26/70/18/451267018.db2.gz SNXJIEBOUWNSRR-SCTDSRPQSA-N 2 0 346.519 1.825 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638113219 451281622 /nfs/dbraw/zinc/28/16/22/451281622.db2.gz ZSEOEBMPPBPALC-YJBOKZPZSA-N 2 0 325.497 1.759 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000638113758 451283018 /nfs/dbraw/zinc/28/30/18/451283018.db2.gz UXIZKYBUBLTRHL-HNNXBMFYSA-N 2 0 325.497 1.914 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(OC)c2)C1 ZINC000638128885 451300179 /nfs/dbraw/zinc/30/01/79/451300179.db2.gz YZTRCNZCIFYPKH-MSOLQXFVSA-N 2 0 349.475 1.654 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)CC1 ZINC000638136513 451309051 /nfs/dbraw/zinc/30/90/51/451309051.db2.gz HVSLABOCNJNAMH-SFHVURJKSA-N 2 0 328.460 1.098 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000635894222 451337503 /nfs/dbraw/zinc/33/75/03/451337503.db2.gz FDGFZYWPOLVAKE-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(CCC[NH3+])Cc2ccccc2)c1 ZINC000638212849 451357013 /nfs/dbraw/zinc/35/70/13/451357013.db2.gz NWXQNBUGNALPQN-LJQANCHMSA-N 2 0 341.455 1.943 20 0 EDADRP C[C@H](C(=O)N1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)[NH+](C)C ZINC000635919474 451364755 /nfs/dbraw/zinc/36/47/55/451364755.db2.gz JQXJUJAERQKFEI-MJGOQNOKSA-N 2 0 344.503 1.355 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238658 451374233 /nfs/dbraw/zinc/37/42/33/451374233.db2.gz BVUBYIFOKAWTSZ-RBUKOAKNSA-N 2 0 344.503 1.294 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000638260668 451385609 /nfs/dbraw/zinc/38/56/09/451385609.db2.gz AHPGOWBNUCBQDC-NUJGCVRESA-N 2 0 331.460 1.413 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000638287953 451405251 /nfs/dbraw/zinc/40/52/51/451405251.db2.gz YEYFJOJVUBJOPM-CWLKWCNXSA-N 2 0 333.476 1.718 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638298598 451413971 /nfs/dbraw/zinc/41/39/71/451413971.db2.gz HSXRZRTUVJHFSK-QUCCMNQESA-N 2 0 345.487 1.865 20 0 EDADRP CCO[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000638347405 451450127 /nfs/dbraw/zinc/45/01/27/451450127.db2.gz RBOXZJSTIXYFRR-GOSISDBHSA-N 2 0 345.487 1.911 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCC3([NH+](C)C)CC3)ccc2[nH]c1=O ZINC000636036026 451457943 /nfs/dbraw/zinc/45/79/43/451457943.db2.gz XINYOPYBRZOMLT-UHFFFAOYSA-N 2 0 345.447 1.128 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357454 451457941 /nfs/dbraw/zinc/45/79/41/451457941.db2.gz MHQWFNXZONWNHM-FZCLSBEQSA-N 2 0 332.492 1.278 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000638376855 451471544 /nfs/dbraw/zinc/47/15/44/451471544.db2.gz MDJVCPIESNAXQH-ZIAGYGMSSA-N 2 0 329.510 1.453 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638387321 451479713 /nfs/dbraw/zinc/47/97/13/451479713.db2.gz WFGUMSCXDWLSPB-MAUKXSAKSA-N 2 0 349.475 1.146 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH+]2CCCOCC2)CC1)CC(C)(C)C ZINC000636022119 451443063 /nfs/dbraw/zinc/44/30/63/451443063.db2.gz PMTGTNHTBNJZMN-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH2+]CCCN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638344424 451447956 /nfs/dbraw/zinc/44/79/56/451447956.db2.gz QVYQMVLHBBHVGJ-AZUAARDMSA-N 2 0 345.487 1.593 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)c1 ZINC000638346043 451448990 /nfs/dbraw/zinc/44/89/90/451448990.db2.gz YKMHHANFDUHGMG-RBUKOAKNSA-N 2 0 339.439 1.738 20 0 EDADRP [NH3+]C1(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCCC1 ZINC000638410096 451497595 /nfs/dbraw/zinc/49/75/95/451497595.db2.gz WDNRTPWYQKKJDW-UHFFFAOYSA-N 2 0 342.394 1.142 20 0 EDADRP O=C(CCC1C[NH2+]C1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000638421631 451505503 /nfs/dbraw/zinc/50/55/03/451505503.db2.gz XIYAAGDKJKSBIM-UHFFFAOYSA-N 2 0 342.487 1.457 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N[C@@H]1Cc2cncn2C1 ZINC000636784900 451506226 /nfs/dbraw/zinc/50/62/26/451506226.db2.gz ANIYWJMWRFARIW-IAGOWNOFSA-N 2 0 339.443 1.772 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](Sc3ccccc3)C2)CC1 ZINC000634729034 451509754 /nfs/dbraw/zinc/50/97/54/451509754.db2.gz WMQMLMGGWUVVFJ-JFIYKMOQSA-N 2 0 335.517 1.508 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cnn(CC(F)F)c3)c2)CC1 ZINC000630962392 451510011 /nfs/dbraw/zinc/51/00/11/451510011.db2.gz ZHAGNQWPSZZJCD-UHFFFAOYSA-N 2 0 336.390 1.907 20 0 EDADRP O=C([C@@H]1CCCN1Cc1ccc(Cl)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000638438693 451516578 /nfs/dbraw/zinc/51/65/78/451516578.db2.gz YMZILNFINPCCDM-INIZCTEOSA-N 2 0 349.862 1.505 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638555458 451574904 /nfs/dbraw/zinc/57/49/04/451574904.db2.gz GRBNUVLQGJKTHB-PWSUYJOCSA-N 2 0 330.354 1.747 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000638550783 451572191 /nfs/dbraw/zinc/57/21/91/451572191.db2.gz JBAWZPDMCZCQJD-OALUTQOASA-N 2 0 330.520 1.986 20 0 EDADRP COCCc1ncc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000631128111 451598667 /nfs/dbraw/zinc/59/86/67/451598667.db2.gz VUKLZNBRDPKBCQ-UHFFFAOYSA-N 2 0 326.510 1.448 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638601664 451598994 /nfs/dbraw/zinc/59/89/94/451598994.db2.gz PEROCHYXMOYHRR-INIZCTEOSA-N 2 0 339.528 1.314 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638672413 451643855 /nfs/dbraw/zinc/64/38/55/451643855.db2.gz YGKKTOQXTBKVAW-CQSZACIVSA-N 2 0 329.322 1.649 20 0 EDADRP c1csc([C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2nc[nH]n2)c1 ZINC000635007912 451648214 /nfs/dbraw/zinc/64/82/14/451648214.db2.gz BRWCJBYJQFYNNS-HNNXBMFYSA-N 2 0 341.444 1.872 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000638768364 451684302 /nfs/dbraw/zinc/68/43/02/451684302.db2.gz XCHIGIPJBRPYEI-BHYNMZESSA-N 2 0 326.238 1.490 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844015 451708680 /nfs/dbraw/zinc/70/86/80/451708680.db2.gz VJJMUZQSMWPDDH-VQIMIIECSA-N 2 0 331.460 1.481 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000638727135 451667738 /nfs/dbraw/zinc/66/77/38/451667738.db2.gz FKWPKXFJHJDDBP-AWEZNQCLSA-N 2 0 345.434 1.335 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000636494859 451736862 /nfs/dbraw/zinc/73/68/62/451736862.db2.gz WKTMIWJXBFLTFL-SFHVURJKSA-N 2 0 346.475 1.148 20 0 EDADRP CO[C@@]1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCOC1 ZINC000638955689 451742495 /nfs/dbraw/zinc/74/24/95/451742495.db2.gz GNLWIUJJLVMNMM-GOSISDBHSA-N 2 0 326.481 1.616 20 0 EDADRP O=C(Cc1cc(C2CC2)no1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985361 451746561 /nfs/dbraw/zinc/74/65/61/451746561.db2.gz FJUYVEIJVQCHFB-UHFFFAOYSA-N 2 0 327.388 1.538 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH3+])c2ccccc21 ZINC000639063388 451760161 /nfs/dbraw/zinc/76/01/61/451760161.db2.gz CUVMOPOILDIFOE-MRXNPFEDSA-N 2 0 349.475 1.451 20 0 EDADRP [NH3+][C@H](CO)Cc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179883 451770468 /nfs/dbraw/zinc/77/04/68/451770468.db2.gz VNKACRXRNCDMDU-KRWDZBQOSA-N 2 0 329.448 1.174 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)[C@]12CCCO2 ZINC000639116228 451771217 /nfs/dbraw/zinc/77/12/17/451771217.db2.gz CPDDZWHQNOCGAN-XMTFNYHQSA-N 2 0 326.481 1.804 20 0 EDADRP [NH3+]C[C@H](O)CCc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641180078 451771275 /nfs/dbraw/zinc/77/12/75/451771275.db2.gz ZYZLWBRDRUFVJN-LJQANCHMSA-N 2 0 343.475 1.565 20 0 EDADRP Cc1cc(N2CCC[C@@H]([NH2+]C3CC[NH+](CC(C)(C)O)CC3)C2)n(C)n1 ZINC000639127918 451773053 /nfs/dbraw/zinc/77/30/53/451773053.db2.gz UOXMSUYIJZCBKR-QGZVFWFLSA-N 2 0 349.523 1.522 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](CC(C)(C)N3CCOCC3)CC2)CC1 ZINC000639171115 451784261 /nfs/dbraw/zinc/78/42/61/451784261.db2.gz RAXHZWNWWDLDKI-UHFFFAOYSA-N 2 0 338.540 1.057 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000644575220 451869793 /nfs/dbraw/zinc/86/97/93/451869793.db2.gz XTSXYBJIOICZIJ-IAOVAPTHSA-N 2 0 335.448 1.457 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[C@H]1[NH3+] ZINC000642548539 451888752 /nfs/dbraw/zinc/88/87/52/451888752.db2.gz PFCJAEKMKIRTOD-RBSFLKMASA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000642643435 451904488 /nfs/dbraw/zinc/90/44/88/451904488.db2.gz JKLBELSLZJIQBO-QZTJIDSGSA-N 2 0 328.497 1.597 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000653417674 451929108 /nfs/dbraw/zinc/92/91/08/451929108.db2.gz SILQLFYXHAJYLG-OAHLLOKOSA-N 2 0 334.468 1.537 20 0 EDADRP Cn1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cc(=O)n(C)c1=O ZINC000642713073 451932407 /nfs/dbraw/zinc/93/24/07/451932407.db2.gz FYXDQKXJQABSNR-UHFFFAOYSA-N 2 0 348.491 1.172 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646940519 451955647 /nfs/dbraw/zinc/95/56/47/451955647.db2.gz HNQWOVYZHILEIZ-IEBWSBKVSA-N 2 0 333.476 1.295 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649288579 451961681 /nfs/dbraw/zinc/96/16/81/451961681.db2.gz ZKJZMKMAMSSEPN-OXJNMPFZSA-N 2 0 344.503 1.710 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000637601671 451966480 /nfs/dbraw/zinc/96/64/80/451966480.db2.gz BOBFCSLLQVVMCK-WMZOPIPTSA-N 2 0 332.492 1.958 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000649301972 451978978 /nfs/dbraw/zinc/97/89/78/451978978.db2.gz CVRTUGPVSUJTDV-JKSUJKDBSA-N 2 0 349.475 1.627 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[NH2+]CCOC2)cc1Cl ZINC000649305931 451983761 /nfs/dbraw/zinc/98/37/61/451983761.db2.gz MFPBIKPNHUTQOV-LBPRGKRZSA-N 2 0 341.839 1.455 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310532 451987835 /nfs/dbraw/zinc/98/78/35/451987835.db2.gz QVUBRIIDEPVHMV-AZUAARDMSA-N 2 0 345.487 1.436 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000649311869 451989340 /nfs/dbraw/zinc/98/93/40/451989340.db2.gz XWGLHRLZOJSERJ-YJBOKZPZSA-N 2 0 330.476 1.545 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CCCCC2)CCO1 ZINC000649329743 452009463 /nfs/dbraw/zinc/00/94/63/452009463.db2.gz FOGPKVUMGIPEQG-ZSHCYNCHSA-N 2 0 335.492 1.382 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649330073 452011935 /nfs/dbraw/zinc/01/19/35/452011935.db2.gz UXWGQPLXQAMQMG-AEFFLSMTSA-N 2 0 345.487 1.876 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)CC[C@@H]1C ZINC000653563320 452017645 /nfs/dbraw/zinc/01/76/45/452017645.db2.gz GOXIDBPJISHVHW-ICSRJNTNSA-N 2 0 349.519 1.522 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000649349861 452033141 /nfs/dbraw/zinc/03/31/41/452033141.db2.gz ZYDVYEPCNQHAAN-KRWDZBQOSA-N 2 0 332.492 1.466 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363802 452043249 /nfs/dbraw/zinc/04/32/49/452043249.db2.gz ODXZUBQYRRJUOS-ROUUACIJSA-N 2 0 336.524 1.252 20 0 EDADRP CCN1C[C@H](C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411298 452074059 /nfs/dbraw/zinc/07/40/59/452074059.db2.gz FKOPQOXKTQRTAI-INIZCTEOSA-N 2 0 346.475 1.028 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000644941248 452076557 /nfs/dbraw/zinc/07/65/57/452076557.db2.gz WGJCWLPXXHXCBK-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000637803110 452089794 /nfs/dbraw/zinc/08/97/94/452089794.db2.gz XXIJRXPRVMAZLH-KRWDZBQOSA-N 2 0 330.476 1.190 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@H]3CCC[NH2+]3)no2)CC1=O ZINC000647152914 452093000 /nfs/dbraw/zinc/09/30/00/452093000.db2.gz PEBLNYDAXIYFBY-BFHYXJOUSA-N 2 0 333.436 1.294 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)N3CCc4ccccc4C3)C2)CC1 ZINC000639761141 452099404 /nfs/dbraw/zinc/09/94/04/452099404.db2.gz DMMKFSFTFDOVCW-UHFFFAOYSA-N 2 0 327.472 1.989 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000637846853 452113211 /nfs/dbraw/zinc/11/32/11/452113211.db2.gz YPSUHGXUUBIEIS-ROUUACIJSA-N 2 0 332.492 1.470 20 0 EDADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC000647196250 452119776 /nfs/dbraw/zinc/11/97/76/452119776.db2.gz USOGNIIMMJVSDL-UHFFFAOYSA-N 2 0 343.468 1.683 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C(C)C ZINC000645108220 452155650 /nfs/dbraw/zinc/15/56/50/452155650.db2.gz VONAPYRSXLGZPW-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CS(=O)(=O)c2ccccc2O1)C1CC[NH+](C)CC1 ZINC000647314508 452176722 /nfs/dbraw/zinc/17/67/22/452176722.db2.gz AOHUSRPOISFFIW-UKRRQHHQSA-N 2 0 338.473 1.541 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000639876338 452213925 /nfs/dbraw/zinc/21/39/25/452213925.db2.gz DIWWAXAXYDHJFQ-SJORKVTESA-N 2 0 325.497 1.017 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643451974 452229678 /nfs/dbraw/zinc/22/96/78/452229678.db2.gz IBOOSSXOQLEUEC-QBPKDAKJSA-N 2 0 332.444 1.745 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)C(C)(C)C2)C[C@H](C)O1 ZINC000641752295 452237713 /nfs/dbraw/zinc/23/77/13/452237713.db2.gz WQRNYFPNIAIFEV-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2)CC1 ZINC000655449934 452245524 /nfs/dbraw/zinc/24/55/24/452245524.db2.gz WGFACRQTDNBTPE-ICSRJNTNSA-N 2 0 342.487 1.762 20 0 EDADRP CCCN(C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](C)C1 ZINC000645278902 452256395 /nfs/dbraw/zinc/25/63/95/452256395.db2.gz KQDKCBCOXWTRIH-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659428123 452271435 /nfs/dbraw/zinc/27/14/35/452271435.db2.gz XCOVZSMJIQEKKG-PBHICJAKSA-N 2 0 334.464 1.739 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659431486 452276415 /nfs/dbraw/zinc/27/64/15/452276415.db2.gz NMCMOFIXIGNBSJ-UHFFFAOYSA-N 2 0 329.448 1.097 20 0 EDADRP O=C1COc2ccccc2N1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647549443 452277104 /nfs/dbraw/zinc/27/71/04/452277104.db2.gz ZROFQXFZNFNBMN-OWCLPIDISA-N 2 0 329.444 1.780 20 0 EDADRP FC(F)(F)c1ccnc(NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000647548853 452277631 /nfs/dbraw/zinc/27/76/31/452277631.db2.gz XOZSKGPSXLKIAW-IJLUTSLNSA-N 2 0 329.370 1.885 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCC[NH2+]1 ZINC000641812421 452293968 /nfs/dbraw/zinc/29/39/68/452293968.db2.gz HFBVOHPZMALKCJ-KRWDZBQOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000659450086 452299222 /nfs/dbraw/zinc/29/92/22/452299222.db2.gz GUFUGWXQOAYLHV-CQSZACIVSA-N 2 0 334.464 1.050 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)C1 ZINC000659457526 452309655 /nfs/dbraw/zinc/30/96/55/452309655.db2.gz GQBVJAPVOVTUHT-DLBZAZTESA-N 2 0 338.496 1.128 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652121755 452317806 /nfs/dbraw/zinc/31/78/06/452317806.db2.gz UVCXDXZNMIKGSQ-QZTJIDSGSA-N 2 0 348.491 1.514 20 0 EDADRP [NH3+]C[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514447 452322832 /nfs/dbraw/zinc/32/28/32/452322832.db2.gz QSJLETFLWUIBAV-KGLIPLIRSA-N 2 0 329.366 1.904 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659467242 452324210 /nfs/dbraw/zinc/32/42/10/452324210.db2.gz VIWXACCTPFTIGM-VDHUWJSZSA-N 2 0 348.466 1.978 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)[C@H](C)CCO)CC2)cc1 ZINC000649866486 452326883 /nfs/dbraw/zinc/32/68/83/452326883.db2.gz UUPLEVJGRBEJNL-GOSISDBHSA-N 2 0 347.503 1.732 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638054251 452333862 /nfs/dbraw/zinc/33/38/62/452333862.db2.gz DXDGKXILQMQIJR-HKUYNNGSSA-N 2 0 346.519 1.826 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652141469 452336209 /nfs/dbraw/zinc/33/62/09/452336209.db2.gz QMXGGEDFONUZGX-FGTMMUONSA-N 2 0 348.491 1.603 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659481641 452342087 /nfs/dbraw/zinc/34/20/87/452342087.db2.gz JTMHYUMUNWUQMC-DZUCGIPZSA-N 2 0 334.439 1.588 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000652171968 452365972 /nfs/dbraw/zinc/36/59/72/452365972.db2.gz FEUXOOZTVQKPSU-GYTBAZASSA-N 2 0 326.485 1.112 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000638066032 452366567 /nfs/dbraw/zinc/36/65/67/452366567.db2.gz DMSLKJQBWFNUOF-GOSISDBHSA-N 2 0 347.459 1.266 20 0 EDADRP C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000663628358 452367300 /nfs/dbraw/zinc/36/73/00/452367300.db2.gz MJRXNNLRKGUFNG-SJORKVTESA-N 2 0 341.544 1.290 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663629126 452367624 /nfs/dbraw/zinc/36/76/24/452367624.db2.gz JRTFXMSCURIHDD-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCOCC1 ZINC000638066543 452370176 /nfs/dbraw/zinc/37/01/76/452370176.db2.gz JOJKLSCHYKNJRU-FUHWJXTLSA-N 2 0 349.475 1.148 20 0 EDADRP CC[C@@]1(O)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035744 452372060 /nfs/dbraw/zinc/37/20/60/452372060.db2.gz NAWNOYKUGIFBRC-PKOBYXMFSA-N 2 0 333.476 1.642 20 0 EDADRP CC(C)O[C@H](CN(C)CC(=O)N1CCN(C)CC1)c1ccccc1 ZINC000640051314 452393892 /nfs/dbraw/zinc/39/38/92/452393892.db2.gz MTFGUZNXZSTRIV-GOSISDBHSA-N 2 0 333.476 1.859 20 0 EDADRP NC(=O)C1([NH2+]Cc2cccc(C[NH+]3CCCCC3)c2)CCOCC1 ZINC000661594928 452396557 /nfs/dbraw/zinc/39/65/57/452396557.db2.gz DYUYBZXXXUHOEE-UHFFFAOYSA-N 2 0 331.460 1.797 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652209754 452405175 /nfs/dbraw/zinc/40/51/75/452405175.db2.gz WAQUODLUDGMZFA-ZJIFWQFVSA-N 2 0 326.485 1.432 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659554388 452411476 /nfs/dbraw/zinc/41/14/76/452411476.db2.gz MQZHWIZLCCLWES-ROUUACIJSA-N 2 0 345.491 1.720 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659555478 452412348 /nfs/dbraw/zinc/41/23/48/452412348.db2.gz LWLNFYNCFXSOCN-LSDHHAIUSA-N 2 0 333.480 1.719 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000652221435 452413507 /nfs/dbraw/zinc/41/35/07/452413507.db2.gz VVZJLAOJSINASA-VYHSGFQXSA-N 2 0 342.487 1.897 20 0 EDADRP [NH3+]CC1(CCNC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC1 ZINC000652231959 452420929 /nfs/dbraw/zinc/42/09/29/452420929.db2.gz LYSVBHHHQVPSSW-CVEARBPZSA-N 2 0 334.439 1.781 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645454354 452423479 /nfs/dbraw/zinc/42/34/79/452423479.db2.gz AETICVABLNBHAW-GOSISDBHSA-N 2 0 332.492 1.688 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654380875 452432504 /nfs/dbraw/zinc/43/25/04/452432504.db2.gz ILQRKHIKTVQZAC-NQNKBUKLSA-N 2 0 338.496 1.410 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654382490 452434157 /nfs/dbraw/zinc/43/41/57/452434157.db2.gz XHLZDAXMFDFHJA-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCN(C)CC2)cc1 ZINC000659585574 452440937 /nfs/dbraw/zinc/44/09/37/452440937.db2.gz MFDIDQBQXGOPGR-ROUUACIJSA-N 2 0 346.475 1.488 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659589617 452446594 /nfs/dbraw/zinc/44/65/94/452446594.db2.gz VGELQRMXQMPBJT-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659589357 452446657 /nfs/dbraw/zinc/44/66/57/452446657.db2.gz OQQPYXSRNVKOBC-UBDQQSCGSA-N 2 0 346.450 1.665 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)CCc2ccccc2)C1 ZINC000661641871 452457394 /nfs/dbraw/zinc/45/73/94/452457394.db2.gz XDSXSAMRJKHFBQ-PMACEKPBSA-N 2 0 333.520 1.936 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659620157 452476382 /nfs/dbraw/zinc/47/63/82/452476382.db2.gz ICKPQBFIQIPYPQ-ZWKOTPCHSA-N 2 0 348.491 1.426 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCN(CCOc2ccccc2)CC1 ZINC000659620106 452476889 /nfs/dbraw/zinc/47/68/89/452476889.db2.gz HDGGVQHNLCFXPH-UHFFFAOYSA-N 2 0 344.459 1.145 20 0 EDADRP COCCN(C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661669387 452478213 /nfs/dbraw/zinc/47/82/13/452478213.db2.gz QAKWLTJVQMZNEK-GBESFXJTSA-N 2 0 336.476 1.024 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623455 452481215 /nfs/dbraw/zinc/48/12/15/452481215.db2.gz HKWMEPVFIIHDES-DLBZAZTESA-N 3 0 341.544 1.417 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659634424 452496336 /nfs/dbraw/zinc/49/63/36/452496336.db2.gz KUSXSIWBSYZAPD-KRWDZBQOSA-N 2 0 347.507 1.054 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000663775194 452505809 /nfs/dbraw/zinc/50/58/09/452505809.db2.gz VGDPZGSTLJGRAY-ROUUACIJSA-N 2 0 346.475 1.147 20 0 EDADRP C[NH2+]CC1CC[NH+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)CC1 ZINC000652336005 452506099 /nfs/dbraw/zinc/50/60/99/452506099.db2.gz XPGORGXNHHRQRE-UHFFFAOYSA-N 2 0 337.489 1.559 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CCOCC1 ZINC000654443832 452506603 /nfs/dbraw/zinc/50/66/03/452506603.db2.gz BKKGDUZEMRKJOC-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659646705 452508131 /nfs/dbraw/zinc/50/81/31/452508131.db2.gz PRUDLBLADIEFNS-RDJZCZTQSA-N 2 0 333.480 1.685 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786184 452520288 /nfs/dbraw/zinc/52/02/88/452520288.db2.gz JXANWNZICYCDAJ-PWRODBHTSA-N 3 0 342.531 1.912 20 0 EDADRP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652346070 452520285 /nfs/dbraw/zinc/52/02/85/452520285.db2.gz SKGZNVXUYKKUBU-USFGWYQBSA-N 2 0 337.508 1.900 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CC(=O)NC(C3CC3)C3CC3)C2)C1 ZINC000652347548 452523986 /nfs/dbraw/zinc/52/39/86/452523986.db2.gz DJQMWQHJACFLQK-BRWVUGGUSA-N 2 0 335.492 1.510 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000652359527 452539620 /nfs/dbraw/zinc/53/96/20/452539620.db2.gz QTSAWIROZGWXMJ-CYBMUJFWSA-N 2 0 332.448 1.434 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361564 452540806 /nfs/dbraw/zinc/54/08/06/452540806.db2.gz KGQGEACELYOKCH-KBAYOESNSA-N 2 0 337.508 1.994 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)[N@H+](C)Cc1ccccc1 ZINC000659679107 452551083 /nfs/dbraw/zinc/55/10/83/452551083.db2.gz RNVKYSXGFXMOIS-HNNXBMFYSA-N 2 0 346.475 1.011 20 0 EDADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654506151 452580596 /nfs/dbraw/zinc/58/05/96/452580596.db2.gz PCXQGPAHOLRCKE-BRWVUGGUSA-N 2 0 343.475 1.976 20 0 EDADRP COc1cc(NC(=O)CC[N@H+](C)CCC[NH3+])cc(OC)c1OC ZINC000647848047 452582918 /nfs/dbraw/zinc/58/29/18/452582918.db2.gz ASYHWNSTNTUNAL-UHFFFAOYSA-N 2 0 325.409 1.322 20 0 EDADRP CCO[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)C1 ZINC000666131784 452629807 /nfs/dbraw/zinc/62/98/07/452629807.db2.gz JIROHQXBYAWRCK-ULQDDVLXSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912556 452669741 /nfs/dbraw/zinc/66/97/41/452669741.db2.gz VWRZFGDPZYCGRZ-GFCCVEGCSA-N 2 0 326.407 1.885 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655912591 452670428 /nfs/dbraw/zinc/67/04/28/452670428.db2.gz WLHXCUHBZXLMGI-CYBMUJFWSA-N 2 0 348.369 1.316 20 0 EDADRP CCN(C(=O)NCc1nccn1CC(F)(F)F)[C@H]1CC[N@H+](C)C1 ZINC000663959182 452671879 /nfs/dbraw/zinc/67/18/79/452671879.db2.gz IQIULRDTQVZAGM-NSHDSACASA-N 2 0 333.358 1.681 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1)C(F)(F)F ZINC000655926845 452692867 /nfs/dbraw/zinc/69/28/67/452692867.db2.gz GTRIFASDKRXPPB-STQMWFEESA-N 2 0 336.402 1.972 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H]1c1ccccc1 ZINC000655927154 452696259 /nfs/dbraw/zinc/69/62/59/452696259.db2.gz GNJLMNWUDWBNFX-AVGNSLFASA-N 2 0 330.354 1.621 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)n1cncn1 ZINC000658069574 452714350 /nfs/dbraw/zinc/71/43/50/452714350.db2.gz HTSGPAHXBZLCTJ-OAHLLOKOSA-N 2 0 335.496 1.882 20 0 EDADRP Cc1c(N(C)C[C@@H]2CCC[NH+]2C)ncnc1N(C)C[C@@H]1CCC[N@@H+]1C ZINC000664029265 452729148 /nfs/dbraw/zinc/72/91/48/452729148.db2.gz MFCWCBIBNWGORC-IRXDYDNUSA-N 2 0 346.523 1.846 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000659845311 452730234 /nfs/dbraw/zinc/73/02/34/452730234.db2.gz UKCVHMLCGXRECY-WMZOPIPTSA-N 2 0 339.524 1.658 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661981313 452734432 /nfs/dbraw/zinc/73/44/32/452734432.db2.gz PBTCTFWKUIQTTB-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655958483 452738199 /nfs/dbraw/zinc/73/81/99/452738199.db2.gz LBDVVYGPHODTGS-HZPDHXFCSA-N 2 0 330.432 1.217 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000655966602 452748237 /nfs/dbraw/zinc/74/82/37/452748237.db2.gz BKGVGVNUYXAZCJ-CVEARBPZSA-N 2 0 338.496 1.319 20 0 EDADRP c1cc2n(n1)C[C@@H](C[N@H+]1C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C1)CN2 ZINC000648029572 452766017 /nfs/dbraw/zinc/76/60/17/452766017.db2.gz MFDUIOIFZOSUKG-QRVBRYPASA-N 2 0 337.471 1.989 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000654658913 452772428 /nfs/dbraw/zinc/77/24/28/452772428.db2.gz XBIFILRWTSBJPL-GASCZTMLSA-N 2 0 347.463 1.262 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000656010064 452798327 /nfs/dbraw/zinc/79/83/27/452798327.db2.gz RIGROZBIOMAOJN-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP CC(C)CNC(=O)CCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000659909659 452798917 /nfs/dbraw/zinc/79/89/17/452798917.db2.gz KYUMWHGCROISOU-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP COC[C@]1(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCC[NH2+]1 ZINC000648127090 452842586 /nfs/dbraw/zinc/84/25/86/452842586.db2.gz FYHMQMXIFVVSOD-MJGOQNOKSA-N 2 0 327.428 1.724 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000645846699 452847216 /nfs/dbraw/zinc/84/72/16/452847216.db2.gz UIESJWQXAPLNLN-GOEBONIOSA-N 2 0 344.459 1.320 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC12CCOCC2 ZINC000648147521 452859207 /nfs/dbraw/zinc/85/92/07/452859207.db2.gz LPSLQINVIQLXAQ-UKRRQHHQSA-N 2 0 337.851 1.554 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)C1CCS(=O)(=O)CC1 ZINC000658357281 452865709 /nfs/dbraw/zinc/86/57/09/452865709.db2.gz SORFIEHTMLORCE-AWEZNQCLSA-N 2 0 328.522 1.911 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)c2)CC1 ZINC000648165142 452876257 /nfs/dbraw/zinc/87/62/57/452876257.db2.gz JTHHCIDGUJZDSF-PIIMJCKOSA-N 2 0 328.460 1.621 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000648178084 452889992 /nfs/dbraw/zinc/88/99/92/452889992.db2.gz PQUQBVKTXBJPLT-KSZLIROESA-N 2 0 331.460 1.301 20 0 EDADRP C[C@H](O)[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482959 452899765 /nfs/dbraw/zinc/89/97/65/452899765.db2.gz SPZZLQLKVPKXBP-LPHOPBHVSA-N 2 0 334.460 1.743 20 0 EDADRP COCC[NH2+]C1CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000650705524 452942728 /nfs/dbraw/zinc/94/27/28/452942728.db2.gz KJNRYGSWZLMMLM-UHFFFAOYSA-N 2 0 335.492 1.827 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)cc12 ZINC000650706303 452943271 /nfs/dbraw/zinc/94/32/71/452943271.db2.gz IEHLYFHTTFINCF-JZXOWHBKSA-N 2 0 343.475 1.995 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645966683 452949460 /nfs/dbraw/zinc/94/94/60/452949460.db2.gz KRAZHCCFLBJVJR-QAPCUYQASA-N 2 0 331.460 1.775 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000656198166 452955437 /nfs/dbraw/zinc/95/54/37/452955437.db2.gz IJGHNFCOZIEHMD-YDZRNGNQSA-N 2 0 342.487 1.445 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000645977680 452964746 /nfs/dbraw/zinc/96/47/46/452964746.db2.gz IJPICGHRYPSJCJ-WMLDXEAASA-N 2 0 330.476 1.605 20 0 EDADRP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281141 453005512 /nfs/dbraw/zinc/00/55/12/453005512.db2.gz UATAFMLMSDWPBW-QGZVFWFLSA-N 2 0 349.500 1.332 20 0 EDADRP O=c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)nc2ccccn12 ZINC000662290025 453014035 /nfs/dbraw/zinc/01/40/35/453014035.db2.gz FOZPDHFVVZRFAF-MRXNPFEDSA-N 2 0 326.444 1.906 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662291778 453014917 /nfs/dbraw/zinc/01/49/17/453014917.db2.gz KGDDAYZBJNXXJP-FUHWJXTLSA-N 2 0 336.524 1.251 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291088 453015007 /nfs/dbraw/zinc/01/50/07/453015007.db2.gz OSCZRPFMQCHIMK-RDJZCZTQSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000666627423 453020059 /nfs/dbraw/zinc/02/00/59/453020059.db2.gz LVHISPAVAREEDR-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP [NH3+]C[C@H]1CCc2ccccc2N1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662306088 453026912 /nfs/dbraw/zinc/02/69/12/453026912.db2.gz XERQCODEJDGRKM-GOSISDBHSA-N 2 0 342.487 1.510 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640983 453031167 /nfs/dbraw/zinc/03/11/67/453031167.db2.gz UHMMSYFQSQOEMZ-RDJZCZTQSA-N 2 0 333.501 1.974 20 0 EDADRP CC[NH+](CC)CCCN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337016 453053842 /nfs/dbraw/zinc/05/38/42/453053842.db2.gz ICSMRCVZOHIURE-KRWDZBQOSA-N 2 0 348.539 1.731 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000664406106 453067534 /nfs/dbraw/zinc/06/75/34/453067534.db2.gz POYVJWJNDMDNDY-ZOBUZTSGSA-N 3 0 339.528 1.040 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000662380476 453089593 /nfs/dbraw/zinc/08/95/93/453089593.db2.gz MRARGKAXMKYRPG-TXPKVOOTSA-N 2 0 345.487 1.912 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000662387727 453096695 /nfs/dbraw/zinc/09/66/95/453096695.db2.gz LWFCQALUZXYRGN-GOSISDBHSA-N 2 0 332.492 1.438 20 0 EDADRP COc1cccc(-c2n[nH]cc2C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000666736800 453106787 /nfs/dbraw/zinc/10/67/87/453106787.db2.gz JTYUYPDZAHMKSP-UHFFFAOYSA-N 2 0 329.448 1.470 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000646105887 453109885 /nfs/dbraw/zinc/10/98/85/453109885.db2.gz KPZGHLBLFJJEGT-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2nnnn2C)CC1 ZINC000648493038 453110077 /nfs/dbraw/zinc/11/00/77/453110077.db2.gz FEXXJTMBOXDIQV-HNNXBMFYSA-N 2 0 328.464 1.438 20 0 EDADRP C[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000662454983 453162496 /nfs/dbraw/zinc/16/24/96/453162496.db2.gz SDIRJOQOBMPRCU-GDBMZVCRSA-N 2 0 341.459 1.737 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc(CC[NH+]3CCCCC3)nn2)C1 ZINC000656448881 453189739 /nfs/dbraw/zinc/18/97/39/453189739.db2.gz ORIYQNXQUOOBGQ-GOSISDBHSA-N 2 0 335.496 1.663 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2[C@H]2CCCOC2)cc1 ZINC000648702308 453195740 /nfs/dbraw/zinc/19/57/40/453195740.db2.gz WGFMSPFTELZXQZ-NLWGTHIKSA-N 2 0 348.487 1.989 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655073833 453197261 /nfs/dbraw/zinc/19/72/61/453197261.db2.gz GLERMLKLSBLNES-XLIONFOSSA-N 2 0 343.471 1.081 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000655121725 453239143 /nfs/dbraw/zinc/23/91/43/453239143.db2.gz PBKNXDYJDIXEIE-MOPGFXCFSA-N 2 0 345.487 1.472 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662528321 453248477 /nfs/dbraw/zinc/24/84/77/453248477.db2.gz YSIPQJCHFKLERB-WMZOPIPTSA-N 2 0 331.460 1.790 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277761 453283689 /nfs/dbraw/zinc/28/36/89/453283689.db2.gz JAWXUFQPUJDRTB-BLLLJJGKSA-N 2 0 343.830 1.563 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666973431 453290313 /nfs/dbraw/zinc/29/03/13/453290313.db2.gz VEUBNIWTVUSGMS-DLBZAZTESA-N 2 0 338.496 1.221 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653108442 453291261 /nfs/dbraw/zinc/29/12/61/453291261.db2.gz XTDALNNAAROOEM-SFHVURJKSA-N 2 0 332.492 1.355 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000653110469 453295996 /nfs/dbraw/zinc/29/59/96/453295996.db2.gz JLEGCLGSFFTSRO-MRXNPFEDSA-N 2 0 331.460 1.972 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653113197 453298788 /nfs/dbraw/zinc/29/87/88/453298788.db2.gz VZQSGEAXVOPYTM-LPHOPBHVSA-N 2 0 329.444 1.499 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3CCC[NH2+]CC3)CCCC2)CC1 ZINC000653118163 453307026 /nfs/dbraw/zinc/30/70/26/453307026.db2.gz DGRJBIIKHMAFSJ-MRXNPFEDSA-N 2 0 337.508 1.916 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC000653124837 453320001 /nfs/dbraw/zinc/32/00/01/453320001.db2.gz IPLPPMXJBKXIBR-IPMKNSEASA-N 2 0 344.503 1.609 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000648856724 453333454 /nfs/dbraw/zinc/33/34/54/453333454.db2.gz YQOKLIJKJHEGBU-SJLPKXTDSA-N 2 0 337.508 1.678 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000662636309 453350882 /nfs/dbraw/zinc/35/08/82/453350882.db2.gz BMBPJNVFRTUWJK-QZTJIDSGSA-N 2 0 330.476 1.927 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000662659559 453373566 /nfs/dbraw/zinc/37/35/66/453373566.db2.gz SLRZWBIKYFCAPC-KRWDZBQOSA-N 2 0 331.460 1.140 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662680655 453399554 /nfs/dbraw/zinc/39/95/54/453399554.db2.gz XUCMIWIEYOQBEE-INIZCTEOSA-N 2 0 341.377 1.703 20 0 EDADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000662687127 453408773 /nfs/dbraw/zinc/40/87/73/453408773.db2.gz UBCQKTQVRUCPHF-DYVFJYSZSA-N 2 0 341.415 1.400 20 0 EDADRP CC1(C)CN(CCNC(=O)[C@@H](N)c2ccc(F)cc2F)CCO1 ZINC000662700014 453420199 /nfs/dbraw/zinc/42/01/99/453420199.db2.gz FTXRGSAQPMZPAL-AWEZNQCLSA-N 2 0 327.375 1.192 20 0 EDADRP C[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CC[NH+](C)CC1 ZINC000662702951 453425878 /nfs/dbraw/zinc/42/58/78/453425878.db2.gz DONQAQBSPQBNDG-HIFRSBDPSA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000662730714 453458048 /nfs/dbraw/zinc/45/80/48/453458048.db2.gz NEYIXZXYZJVZTD-ZWKOTPCHSA-N 2 0 347.459 1.141 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655446237 453533392 /nfs/dbraw/zinc/53/33/92/453533392.db2.gz JAZHWULITYFPAD-QFBILLFUSA-N 2 0 344.459 1.905 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])c2)CC1 ZINC000662802322 453537145 /nfs/dbraw/zinc/53/71/45/453537145.db2.gz NLWJCNJNKNXRNS-ROUUACIJSA-N 2 0 346.475 1.519 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCCCC[N@H+](C)C2CC2)CCO1 ZINC000665079671 453566877 /nfs/dbraw/zinc/56/68/77/453566877.db2.gz CZIWPMJHHIUGJG-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857896 453574217 /nfs/dbraw/zinc/57/42/17/453574217.db2.gz CRNDLRSCVHZTQU-IEBWSBKVSA-N 2 0 331.460 1.402 20 0 EDADRP [NH3+][C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000662860654 453576202 /nfs/dbraw/zinc/57/62/02/453576202.db2.gz SSNCNVRYCXGHLU-RBUKOAKNSA-N 2 0 339.439 1.569 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000662861090 453576520 /nfs/dbraw/zinc/57/65/20/453576520.db2.gz XEDHJIFUADQQJL-HNNXBMFYSA-N 2 0 329.400 1.235 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000662865988 453578557 /nfs/dbraw/zinc/57/85/57/453578557.db2.gz WWTYCZNHZYRXKA-DAXOMENPSA-N 2 0 325.403 1.900 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000662867198 453579667 /nfs/dbraw/zinc/57/96/67/453579667.db2.gz RUQDEHKJFZYAGR-MJQMVNBJSA-N 2 0 329.444 1.257 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000662875569 453583779 /nfs/dbraw/zinc/58/37/79/453583779.db2.gz KLECTGOXXUAZIW-UHFFFAOYSA-N 2 0 331.460 1.971 20 0 EDADRP CN(C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900528 453593835 /nfs/dbraw/zinc/59/38/35/453593835.db2.gz MXNOPQAFJLBDQB-RGPMPMONSA-N 2 0 348.535 1.534 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240677 453620011 /nfs/dbraw/zinc/62/00/11/453620011.db2.gz QDMJWEDCWIFMKY-ZYSHUDEJSA-N 3 0 332.492 1.636 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659095569 453628660 /nfs/dbraw/zinc/62/86/60/453628660.db2.gz FFHKXEKLMTYDGN-HNNXBMFYSA-N 2 0 330.432 1.217 20 0 EDADRP C1CC2(C1)[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)C[C@H]2N1CCOCC1 ZINC000665273618 453633333 /nfs/dbraw/zinc/63/33/33/453633333.db2.gz AGSMMAGVXLNBFO-NTZUZEMLSA-N 2 0 349.519 1.377 20 0 EDADRP CC(C)[C@H](COCc1ccccc1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665293072 453638893 /nfs/dbraw/zinc/63/88/93/453638893.db2.gz QGZHEQUKHFCNHG-INIZCTEOSA-N 2 0 330.432 1.972 20 0 EDADRP CC(C)([NH3+])CCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663013223 453647188 /nfs/dbraw/zinc/64/71/88/453647188.db2.gz BMCMMUCDAUUZTK-AWEZNQCLSA-N 2 0 348.495 1.043 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000659285592 453701082 /nfs/dbraw/zinc/70/10/82/453701082.db2.gz OIMRSUKARIAXPK-INIZCTEOSA-N 2 0 337.489 1.926 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000659286681 453701873 /nfs/dbraw/zinc/70/18/73/453701873.db2.gz BWJLGLUUXOSGKI-UHFFFAOYSA-N 2 0 347.463 1.839 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000659302613 453708133 /nfs/dbraw/zinc/70/81/33/453708133.db2.gz AZMFANNSTGKKCY-FHWLQOOXSA-N 2 0 347.503 1.937 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556557 453749298 /nfs/dbraw/zinc/74/92/98/453749298.db2.gz ZKTXNMDGAYSTOE-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657310239 453763828 /nfs/dbraw/zinc/76/38/28/453763828.db2.gz KPGFSAROOZHNPO-FXAWDEMLSA-N 2 0 347.503 1.970 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657309923 453764064 /nfs/dbraw/zinc/76/40/64/453764064.db2.gz JWHPGBHEQTUAJV-MRXNPFEDSA-N 3 0 328.464 1.383 20 0 EDADRP Cn1ncc(C2CC2)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000657337729 453769322 /nfs/dbraw/zinc/76/93/22/453769322.db2.gz IBIRMKFVSPPJHP-UHFFFAOYSA-N 2 0 331.508 1.946 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)cn1 ZINC000657383758 453779100 /nfs/dbraw/zinc/77/91/00/453779100.db2.gz VWQQHHIAQWOCOD-OAHLLOKOSA-N 2 0 337.431 1.759 20 0 EDADRP Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000679942395 486678222 /nfs/dbraw/zinc/67/82/22/486678222.db2.gz NHDAMZJPFKHIKS-IAGOWNOFSA-N 2 0 348.491 1.514 20 0 EDADRP CN1CCN(C(=O)CN[C@@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000679937267 486676297 /nfs/dbraw/zinc/67/62/97/486676297.db2.gz DIDNOJVTGAYSGW-IBGZPJMESA-N 2 0 344.503 1.577 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CCOCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000384940342 486687807 /nfs/dbraw/zinc/68/78/07/486687807.db2.gz CKEAFYNRJALPBS-OALUTQOASA-N 2 0 345.487 1.783 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000415658649 486766102 /nfs/dbraw/zinc/76/61/02/486766102.db2.gz VQWSICZDLCWKBR-CABCVRRESA-N 2 0 332.448 1.115 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cnn1C ZINC000667436576 486781116 /nfs/dbraw/zinc/78/11/16/486781116.db2.gz JCRWUAYBLHVCHN-HNNXBMFYSA-N 2 0 336.484 1.608 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667754225 486950854 /nfs/dbraw/zinc/95/08/54/486950854.db2.gz PKQHVIRSBNRFDG-UHFFFAOYSA-N 2 0 345.491 1.480 20 0 EDADRP CCn1nccc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000681269861 486998074 /nfs/dbraw/zinc/99/80/74/486998074.db2.gz PQZWOXXQNVPLJG-UHFFFAOYSA-N 2 0 342.447 1.240 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)NC(=O)NC1=O ZINC000677237860 487018192 /nfs/dbraw/zinc/01/81/92/487018192.db2.gz ODGHTYYHUDBPCO-GPMSIDNRSA-N 2 0 342.443 1.458 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000673533566 487053014 /nfs/dbraw/zinc/05/30/14/487053014.db2.gz QOQNCJDDDUBHKQ-SFHVURJKSA-N 2 0 331.460 1.469 20 0 EDADRP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+]CC(=O)N2CCN(C)CC2)C1 ZINC000684956280 487200503 /nfs/dbraw/zinc/20/05/03/487200503.db2.gz WVDJWRMSBRCZPY-IAGOWNOFSA-N 2 0 330.476 1.780 20 0 EDADRP CC[C@H](CO)N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000674745403 487308040 /nfs/dbraw/zinc/30/80/40/487308040.db2.gz PUBBUYKHQCLFFV-OAHLLOKOSA-N 2 0 344.419 1.188 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C[C@@H]3CCOC3)C2)CC1 ZINC000678635078 487346073 /nfs/dbraw/zinc/34/60/73/487346073.db2.gz BHGCKBZQQZZOIY-SJORKVTESA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000675487081 487413148 /nfs/dbraw/zinc/41/31/48/487413148.db2.gz USOAXCQOMAGQDA-UHFFFAOYSA-N 2 0 345.487 1.904 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675575031 487424870 /nfs/dbraw/zinc/42/48/70/487424870.db2.gz KBVSFULFJYVHFL-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C(=O)Nc1ccc2nccn2c1 ZINC000679510575 487434404 /nfs/dbraw/zinc/43/44/04/487434404.db2.gz CBHQDHXNHISFEE-UHFFFAOYSA-N 2 0 347.338 1.492 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000675742972 487440740 /nfs/dbraw/zinc/44/07/40/487440740.db2.gz YGWKZCPUXVRLFC-UHFFFAOYSA-N 2 0 345.535 1.662 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cccn1C1CC[NH2+]CC1 ZINC000669513387 485478556 /nfs/dbraw/zinc/47/85/56/485478556.db2.gz JOTFSNDXPSYIIB-UHFFFAOYSA-N 2 0 325.416 1.706 20 0 EDADRP COCC1(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000669518326 485483479 /nfs/dbraw/zinc/48/34/79/485483479.db2.gz JOAARUAUOYOYRF-AWEZNQCLSA-N 2 0 325.840 1.472 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000669561091 485568209 /nfs/dbraw/zinc/56/82/09/485568209.db2.gz FYXVOBNSWSRUDW-ONIAQPFYSA-N 2 0 346.475 1.265 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000669567364 485579691 /nfs/dbraw/zinc/57/96/91/485579691.db2.gz DWSGWJNYCFIEKM-CEXWTWQISA-N 2 0 344.503 1.978 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000668516961 485835722 /nfs/dbraw/zinc/83/57/22/485835722.db2.gz GYZYZADISQMYSF-UHFFFAOYSA-N 2 0 328.460 1.870 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1cccc(F)c1 ZINC000668654319 485999840 /nfs/dbraw/zinc/99/98/40/485999840.db2.gz HZPAMVLEVNWUCI-XOKHGSTOSA-N 2 0 334.439 1.822 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CCO1 ZINC000669365980 486013115 /nfs/dbraw/zinc/01/31/15/486013115.db2.gz WHSBRNZPOLUKLD-PMPSAXMXSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000669389599 486025858 /nfs/dbraw/zinc/02/58/58/486025858.db2.gz DFZVKJMZOGEWEO-GJZGRUSLSA-N 2 0 340.537 1.727 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000669418543 486137860 /nfs/dbraw/zinc/13/78/60/486137860.db2.gz YWFMIOXXQAHYSQ-AYBZRNKSSA-N 2 0 342.487 1.827 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC[C@H](C)[NH3+])CC2)cc1 ZINC000669422800 486144262 /nfs/dbraw/zinc/14/42/62/486144262.db2.gz WJDXYSCHIYNSMJ-AWEZNQCLSA-N 2 0 334.464 1.554 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000669426211 486147161 /nfs/dbraw/zinc/14/71/61/486147161.db2.gz CHEDPMOFAQZIIL-OAHLLOKOSA-N 2 0 334.464 1.507 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@@H]1CCCC[NH2+]1 ZINC000669459255 486213352 /nfs/dbraw/zinc/21/33/52/486213352.db2.gz ZZLWYBPJCJEATM-OALUTQOASA-N 2 0 344.503 1.992 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N3CCC[C@@H]3C[NH3+])CCCC2)CC1 ZINC000669469600 486221626 /nfs/dbraw/zinc/22/16/26/486221626.db2.gz BMOWZEHYSIDTFI-OAHLLOKOSA-N 2 0 338.496 1.543 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000392123485 486556353 /nfs/dbraw/zinc/55/63/53/486556353.db2.gz YHBANFUPEHKRMN-UHFFFAOYSA-N 2 0 330.436 1.009 20 0 EDADRP C[C@@H]([NH2+]CCc1ccc(S(N)(=O)=O)cc1)C1CC[NH+](C)CC1 ZINC000315237086 491247185 /nfs/dbraw/zinc/24/71/85/491247185.db2.gz XKCLWQDOBIKGMF-CYBMUJFWSA-N 2 0 325.478 1.196 20 0 EDADRP COC1(CNc2ncnc3c2cnn3-c2ccncc2)CCOCC1 ZINC000119530211 490995876 /nfs/dbraw/zinc/99/58/76/490995876.db2.gz AHWHPXYYBCXCQJ-UHFFFAOYSA-N 2 0 340.387 1.818 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[N@@H+](C)C[C@@H]4C3)cc2)CC1 ZINC000192467275 491004999 /nfs/dbraw/zinc/00/49/99/491004999.db2.gz RCKRTDNSIUMUCF-HDICACEKSA-N 2 0 342.487 1.462 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2cnc(N3CC[NH2+]CC3)nc2)c1 ZINC000630052820 491015101 /nfs/dbraw/zinc/01/51/01/491015101.db2.gz WSYUNIQUZFREIE-UHFFFAOYSA-N 2 0 327.432 1.494 20 0 EDADRP CC(C)NC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171304638 529120205 /nfs/dbraw/zinc/12/02/05/529120205.db2.gz MOXNHYDYVGBCRF-IYBDPMFKSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000347635372 535112459 /nfs/dbraw/zinc/11/24/59/535112459.db2.gz PDSPVUZTGQFYOM-ZWKOTPCHSA-N 2 0 331.460 1.174 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352668386 535165237 /nfs/dbraw/zinc/16/52/37/535165237.db2.gz RQWPISPOLHQCMX-LSDHHAIUSA-N 2 0 332.510 1.167 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000345547852 535321994 /nfs/dbraw/zinc/32/19/94/535321994.db2.gz CMPDRQNCKBADOV-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000346921018 535330635 /nfs/dbraw/zinc/33/06/35/535330635.db2.gz VJNVKFLSNAYTTK-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262771225 535450661 /nfs/dbraw/zinc/45/06/61/535450661.db2.gz MIJZVPKODHNEQM-INIZCTEOSA-N 2 0 333.480 1.659 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(C)cc2)C1 ZINC000262673152 535547604 /nfs/dbraw/zinc/54/76/04/535547604.db2.gz SKAGGFDOTNYDEK-MSOLQXFVSA-N 2 0 333.476 1.954 20 0 EDADRP CCCn1c(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)nc2ccccc21 ZINC000347100695 535589647 /nfs/dbraw/zinc/58/96/47/535589647.db2.gz LWOUVSWLUQYFNZ-OAHLLOKOSA-N 2 0 343.475 1.733 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000339486314 535637975 /nfs/dbraw/zinc/63/79/75/535637975.db2.gz FFRSSEQYHQAGQE-ZDUSSCGKSA-N 2 0 340.512 1.258 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000236968277 535655019 /nfs/dbraw/zinc/65/50/19/535655019.db2.gz QJYBMXILFNMBNK-IEBWSBKVSA-N 2 0 346.519 1.997 20 0 EDADRP CC[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810309 535774277 /nfs/dbraw/zinc/77/42/77/535774277.db2.gz GWFXXNWPFLHCJA-MJGOQNOKSA-N 2 0 345.487 1.470 20 0 EDADRP C[NH+](C)CCN1C[C@@H](c2nc(-c3ccc(C[NH3+])cc3)no2)CC1=O ZINC000261923380 535880863 /nfs/dbraw/zinc/88/08/63/535880863.db2.gz BXDVJBZLIIIPAC-AWEZNQCLSA-N 2 0 329.404 1.073 20 0 EDADRP CN(C(=O)CC[C@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261751799 535976668 /nfs/dbraw/zinc/97/66/68/535976668.db2.gz HIXBPXJYYHVVOY-KRWDZBQOSA-N 2 0 344.503 1.937 20 0 EDADRP C[NH+](C)Cc1ccc(-c2noc(CCNC(=O)[C@@H]3CCC[NH2+]3)n2)cc1 ZINC000261795942 535993922 /nfs/dbraw/zinc/99/39/22/535993922.db2.gz OVJUXIYUHLXYOU-HNNXBMFYSA-N 2 0 343.431 1.209 20 0 EDADRP CN(C)c1ccc([C@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000730546579 578651783 /nfs/dbraw/zinc/65/17/83/578651783.db2.gz FLZCZBIDLXSDLH-MOPGFXCFSA-N 2 0 346.519 1.808 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000760892878 580040676 /nfs/dbraw/zinc/04/06/76/580040676.db2.gz OQZKOAVDTNSTNW-UHFFFAOYSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000745824509 579564350 /nfs/dbraw/zinc/56/43/50/579564350.db2.gz JNEOCOFLXZZTGE-HYVNUMGLSA-N 2 0 338.496 1.412 20 0 EDADRP CC1(OCC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000746149737 579574076 /nfs/dbraw/zinc/57/40/76/579574076.db2.gz IUIILNLBFHLNSR-UHFFFAOYSA-N 2 0 346.475 1.669 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CC[NH+](C2CCOCC2)CC1 ZINC000747671306 579653192 /nfs/dbraw/zinc/65/31/92/579653192.db2.gz SUEWQDZBMBHOFY-MRXNPFEDSA-N 2 0 340.537 1.142 20 0 EDADRP CN(C)c1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000755234419 579923361 /nfs/dbraw/zinc/92/33/61/579923361.db2.gz AIJHBRYRSFSNDW-UHFFFAOYSA-N 2 0 345.535 1.997 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000764271104 580116846 /nfs/dbraw/zinc/11/68/46/580116846.db2.gz JAJRNEWPXNQYNN-JKSUJKDBSA-N 2 0 341.521 1.183 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2nnc3ccccn32)[C@@H](C)C1 ZINC000764639574 580125366 /nfs/dbraw/zinc/12/53/66/580125366.db2.gz QIXGELMCNTYBFI-IRXDYDNUSA-N 2 0 345.491 1.998 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=S)NCCC[NH+](C)C ZINC000764931545 580131534 /nfs/dbraw/zinc/13/15/34/580131534.db2.gz PYAXPZAIRISDFG-RDJZCZTQSA-N 2 0 334.533 1.923 20 0 EDADRP C[C@@H](C[C@@H]1CCOC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000773002918 580325060 /nfs/dbraw/zinc/32/50/60/580325060.db2.gz AQNCOAPZESMZGR-RDJZCZTQSA-N 2 0 333.476 1.883 20 0 EDADRP CC[NH+]1CCN(c2nc(C)nc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000775513759 580392732 /nfs/dbraw/zinc/39/27/32/580392732.db2.gz LYFORVNOBCEEPF-GJZGRUSLSA-N 2 0 347.511 1.241 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748197 580532883 /nfs/dbraw/zinc/53/28/83/580532883.db2.gz KQXXZONUUJBXAO-DLBZAZTESA-N 2 0 338.496 1.737 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC000781215947 580544520 /nfs/dbraw/zinc/54/45/20/580544520.db2.gz VLARMTUNUQTKOF-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@H](C[NH2+]Cc1cc(Br)nn1C)CN1CC[NH+](C)CC1 ZINC000785454784 580645010 /nfs/dbraw/zinc/64/50/10/580645010.db2.gz CDFSZTRWUADZMF-GFCCVEGCSA-N 2 0 344.301 1.156 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(Cl)n1 ZINC000788620476 580726139 /nfs/dbraw/zinc/72/61/39/580726139.db2.gz QBOQUFAVTASRIB-UHFFFAOYSA-N 2 0 348.900 1.157 20 0 EDADRP C[C@@]1(CNC(=O)NCC[NH+]2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000798482750 580998840 /nfs/dbraw/zinc/99/88/40/580998840.db2.gz MOKOJVKCOJHQIV-IBGZPJMESA-N 2 0 330.476 1.904 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C(C)(C)C ZINC000799202220 581022309 /nfs/dbraw/zinc/02/23/09/581022309.db2.gz MRVWOBRZIMKZSL-LSDHHAIUSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)CCCCCC[NH3+])CCCO1 ZINC000891855285 590656399 /nfs/dbraw/zinc/65/63/99/590656399.db2.gz IHQCOJAVIIWOJK-MRXNPFEDSA-N 2 0 328.501 1.648 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC2(C[NH3+])CCCCC2)CCCO1 ZINC000891856007 590657262 /nfs/dbraw/zinc/65/72/62/590657262.db2.gz NPDQDYSDQVAQNY-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000891875229 590665373 /nfs/dbraw/zinc/66/53/73/590665373.db2.gz UEGBFFPFQADQJT-LNLFQRSKSA-N 2 0 330.476 1.935 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000891881534 590668103 /nfs/dbraw/zinc/66/81/03/590668103.db2.gz GXECGOOCRZDMGL-QZTJIDSGSA-N 2 0 328.460 1.390 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891910981 590682091 /nfs/dbraw/zinc/68/20/91/590682091.db2.gz XEBSNQUQYQXPAE-AVGNSLFASA-N 2 0 338.418 1.885 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000892088416 590792276 /nfs/dbraw/zinc/79/22/76/590792276.db2.gz JKPIIOQCLPEMAN-INMHGKMJSA-N 2 0 332.448 1.621 20 0 EDADRP COCC1(CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000892113697 590806514 /nfs/dbraw/zinc/80/65/14/590806514.db2.gz QTVFWOBBDYKRES-GOSISDBHSA-N 2 0 340.512 1.409 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000892163275 590834246 /nfs/dbraw/zinc/83/42/46/590834246.db2.gz LYXMYCBKRQZUKD-CVEARBPZSA-N 2 0 331.464 1.834 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000892188731 590854997 /nfs/dbraw/zinc/85/49/97/590854997.db2.gz SCOIQNJCDREGGZ-YYIAUSFCSA-N 2 0 343.475 1.690 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000892190356 590856314 /nfs/dbraw/zinc/85/63/14/590856314.db2.gz BRZXAQFGNYUDJR-WNRNVDISSA-N 2 0 330.476 1.634 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000892211728 590865994 /nfs/dbraw/zinc/86/59/94/590865994.db2.gz MDBFWCDPNBGBQZ-FUHWJXTLSA-N 2 0 332.492 1.943 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(C)(C[NH+]3CCN(C)CC3)CC1)CCC2 ZINC000893565160 590963580 /nfs/dbraw/zinc/96/35/80/590963580.db2.gz ZDJKGPCGVHZEON-UHFFFAOYSA-N 2 0 345.535 1.758 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342702 590970803 /nfs/dbraw/zinc/97/08/03/590970803.db2.gz MLTGIHDSSUVOOB-KDOFPFPSSA-N 2 0 330.476 1.814 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000892412228 591017903 /nfs/dbraw/zinc/01/79/03/591017903.db2.gz QLHRLHMQLCPOJG-GBESFXJTSA-N 2 0 344.503 1.978 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CC[NH2+]CCC12CCC2)Cc1ccccc1 ZINC000892413748 591018354 /nfs/dbraw/zinc/01/83/54/591018354.db2.gz HZNXPDVRZKEUSY-QGZVFWFLSA-N 2 0 330.476 1.874 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000892488967 591046486 /nfs/dbraw/zinc/04/64/86/591046486.db2.gz BHZGQADOHMNRMC-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892489713 591046745 /nfs/dbraw/zinc/04/67/45/591046745.db2.gz MLOAXMNLSDBPNU-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCC2CC[NH+](C(C)C)CC2)C[C@H]1C[NH3+] ZINC000892501104 591051172 /nfs/dbraw/zinc/05/11/72/591051172.db2.gz JTJZSYLPEUBXJQ-IAGOWNOFSA-N 2 0 340.512 1.502 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000892501966 591051608 /nfs/dbraw/zinc/05/16/08/591051608.db2.gz UDIXBFAXYGJVAD-ZBFHGGJFSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000892542967 591066593 /nfs/dbraw/zinc/06/65/93/591066593.db2.gz UYAFLEWVHHQFOJ-UHFFFAOYSA-N 2 0 342.491 1.442 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000891448609 591075524 /nfs/dbraw/zinc/07/55/24/591075524.db2.gz RVAVYHNRVHJMOF-WMLDXEAASA-N 2 0 334.464 1.691 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892575390 591078034 /nfs/dbraw/zinc/07/80/34/591078034.db2.gz VFNASOVUWCZRKH-OAGGEKHMSA-N 2 0 329.460 1.236 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000891462004 591080139 /nfs/dbraw/zinc/08/01/39/591080139.db2.gz PLAOBNLILUMVDZ-IEBWSBKVSA-N 2 0 349.523 1.129 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892602325 591090211 /nfs/dbraw/zinc/09/02/11/591090211.db2.gz ZFGGSZDXMJIWLK-MUJYYYPQSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCC(O)CC2)C1 ZINC000893770734 591091569 /nfs/dbraw/zinc/09/15/69/591091569.db2.gz KHOIZAWXVCBKDX-INIZCTEOSA-N 2 0 340.512 1.110 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891518682 591104945 /nfs/dbraw/zinc/10/49/45/591104945.db2.gz TXDJJWXVSFJLHS-HZPDHXFCSA-N 2 0 336.480 1.167 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891557628 591124100 /nfs/dbraw/zinc/12/41/00/591124100.db2.gz UBCBIOPDKIQOJZ-KSZLIROESA-N 2 0 328.460 1.797 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000891563421 591129719 /nfs/dbraw/zinc/12/97/19/591129719.db2.gz GGJVZTPCLKZRHV-MWDXBVQZSA-N 2 0 338.496 1.269 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577874 591132855 /nfs/dbraw/zinc/13/28/55/591132855.db2.gz SVDRLIJRHAKLJR-YOEHRIQHSA-N 2 0 326.485 1.114 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891576695 591133170 /nfs/dbraw/zinc/13/31/70/591133170.db2.gz NGIGUWPKCUDJCI-AGIUHOORSA-N 2 0 334.386 1.249 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC[C@@H]2C)C1 ZINC000891597298 591141969 /nfs/dbraw/zinc/14/19/69/591141969.db2.gz GVLFNPQWHPHKQU-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892772405 591170233 /nfs/dbraw/zinc/17/02/33/591170233.db2.gz YHGYSWGRLRIMHA-HNNXBMFYSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000891672427 591178001 /nfs/dbraw/zinc/17/80/01/591178001.db2.gz ALNWGNOVQCIMIJ-OWLYRPNTSA-N 2 0 328.460 1.795 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892789089 591179327 /nfs/dbraw/zinc/17/93/27/591179327.db2.gz NGTBYOYVLBNEEK-SJORKVTESA-N 2 0 330.476 1.873 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000891694097 591187691 /nfs/dbraw/zinc/18/76/91/591187691.db2.gz IVCCCKCIWMURIH-OTRWWLKZSA-N 2 0 338.496 1.181 20 0 EDADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCCC(C)(C)[NH3+])CC2)CC1 ZINC000892853871 591203244 /nfs/dbraw/zinc/20/32/44/591203244.db2.gz INXKBKNKRHTQAL-UHFFFAOYSA-N 2 0 339.528 1.173 20 0 EDADRP CCN(C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[C@@H]1CC[NH2+]C1 ZINC000891766520 591216795 /nfs/dbraw/zinc/21/67/95/591216795.db2.gz TVLXCQQYGVIGLB-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2csc(C(=O)OC)c2)CC1 ZINC000894237735 591240599 /nfs/dbraw/zinc/24/05/99/591240599.db2.gz NETSKNSCVOTUNA-AWEZNQCLSA-N 2 0 339.505 1.898 20 0 EDADRP CN1CC[N@H+](CC2CC[NH+](C)CC2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284719 591265759 /nfs/dbraw/zinc/26/57/59/591265759.db2.gz KLDCUNLMPJBSFC-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cn(Cc2ccccc2)nn1 ZINC000894458409 591317153 /nfs/dbraw/zinc/31/71/53/591317153.db2.gz QQBJEFDKAQIWQI-UHFFFAOYSA-N 2 0 330.480 1.252 20 0 EDADRP CCc1c(C)nc2ncnn2c1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000894494021 591326012 /nfs/dbraw/zinc/32/60/12/591326012.db2.gz ATDLCFVZPHHCDS-ZDUSSCGKSA-N 2 0 333.484 1.679 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)N2CCC[C@@H](n3ccnc3)C2)n[nH]1 ZINC000896153888 591366416 /nfs/dbraw/zinc/36/64/16/591366416.db2.gz ZWSLPMLGXBOOGG-CJNGLKHVSA-N 2 0 328.420 1.850 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000897420553 591379604 /nfs/dbraw/zinc/37/96/04/591379604.db2.gz BJQHHKVPJMYUAT-UHFFFAOYSA-N 2 0 341.496 1.869 20 0 EDADRP CCOC(=O)C1([S@](C)=O)CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000894680824 591386643 /nfs/dbraw/zinc/38/66/43/591386643.db2.gz FQSDZZCGBRULIK-QFIPXVFZSA-N 2 0 330.494 1.104 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000897442781 591454482 /nfs/dbraw/zinc/45/44/82/591454482.db2.gz IYQLETIDVBRJOF-NUJGCVRESA-N 2 0 334.508 1.987 20 0 EDADRP Cc1ccc(CN2CCO[C@H](CNc3cc[nH+]cc3CO)C2)cc1 ZINC000895017239 591524590 /nfs/dbraw/zinc/52/45/90/591524590.db2.gz BSCZNMUFQNCOKH-GOSISDBHSA-N 2 0 327.428 1.617 20 0 EDADRP CC[N@H+](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)CCC(F)(F)F ZINC000897561001 591554769 /nfs/dbraw/zinc/55/47/69/591554769.db2.gz VKXBBKXZESCSFS-CYBMUJFWSA-N 2 0 337.386 1.098 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898841958 591559158 /nfs/dbraw/zinc/55/91/58/591559158.db2.gz YVCBIGLTYDCIPK-ULQDDVLXSA-N 2 0 337.508 1.769 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3(C(N)=O)C2)cc1 ZINC000897624256 591592239 /nfs/dbraw/zinc/59/22/39/591592239.db2.gz FHFYMIZDDDUPAC-LPHOPBHVSA-N 2 0 331.460 1.714 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000896749615 591602634 /nfs/dbraw/zinc/60/26/34/591602634.db2.gz UIQGBEIUXPFQQU-MRXNPFEDSA-N 2 0 326.485 1.317 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)NC(C)(C)CN1CCOCC1 ZINC000898961659 591618202 /nfs/dbraw/zinc/61/82/02/591618202.db2.gz JDWZWIUGGFQXOZ-UHFFFAOYSA-N 2 0 345.447 1.553 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000897865029 591698740 /nfs/dbraw/zinc/69/87/40/591698740.db2.gz VINHAXNPRKYCSE-MSOLQXFVSA-N 2 0 345.487 1.395 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000899129867 591698806 /nfs/dbraw/zinc/69/88/06/591698806.db2.gz LIFCMMDCJPBRCT-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)[C@@H]1c1ccccc1 ZINC000897879374 591704072 /nfs/dbraw/zinc/70/40/72/591704072.db2.gz GBWHZMHVGWIUCX-FHWLQOOXSA-N 2 0 345.487 1.642 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000895468906 591768954 /nfs/dbraw/zinc/76/89/54/591768954.db2.gz XGRFEIJKDSMJMN-RTBURBONSA-N 2 0 345.487 1.906 20 0 EDADRP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000898298704 591863296 /nfs/dbraw/zinc/86/32/96/591863296.db2.gz SODPUGAHZNOOAI-GOSISDBHSA-N 2 0 337.427 1.576 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000900189296 591934443 /nfs/dbraw/zinc/93/44/43/591934443.db2.gz XTZBGMWEMHIQOP-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C[C@@H]([C@H]4CCCO4)CC3=O)C2)CC1 ZINC000902201299 591944498 /nfs/dbraw/zinc/94/44/98/591944498.db2.gz LUNDUULRTCKBIW-FGTMMUONSA-N 2 0 335.492 1.635 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)C1 ZINC000900214851 591945260 /nfs/dbraw/zinc/94/52/60/591945260.db2.gz IJXBRBANLTXLOD-LMMKCTJWSA-N 2 0 339.524 1.708 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900260246 591963970 /nfs/dbraw/zinc/96/39/70/591963970.db2.gz AJOGNVNSBXNMNW-FQEVSTJZSA-N 2 0 347.503 1.466 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)Cc2ccccc2)CC1)C1([NH3+])CC1 ZINC000902346032 591978105 /nfs/dbraw/zinc/97/81/05/591978105.db2.gz IXYHPYXXUHBMMM-AWEZNQCLSA-N 2 0 337.489 1.450 20 0 EDADRP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347233 591978265 /nfs/dbraw/zinc/97/82/65/591978265.db2.gz HPIPPNXSBMEUGV-WMLDXEAASA-N 2 0 330.476 1.353 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(S(=O)(=O)CCO)cc2)C1 ZINC000902377141 591983832 /nfs/dbraw/zinc/98/38/32/591983832.db2.gz RHPBEFLKFMDPKP-HNNXBMFYSA-N 2 0 340.489 1.320 20 0 EDADRP C[C@@H]([NH2+]CC1([NH3+])CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000902406972 591987798 /nfs/dbraw/zinc/98/77/98/591987798.db2.gz OMYVVQCTIRLOGX-ZBFHGGJFSA-N 2 0 333.432 1.493 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455403 591999594 /nfs/dbraw/zinc/99/95/94/591999594.db2.gz LTGBAWBRNSMKIN-JOYOIKCWSA-N 2 0 341.253 1.814 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC000900411009 592011313 /nfs/dbraw/zinc/01/13/13/592011313.db2.gz AMJHMJQMJXWTFE-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1NC ZINC000900480118 592030365 /nfs/dbraw/zinc/03/03/65/592030365.db2.gz BVRKCXMGSQRTPY-MRXNPFEDSA-N 2 0 347.507 1.920 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900523083 592035875 /nfs/dbraw/zinc/03/58/75/592035875.db2.gz YMUFKUSOBKTDDZ-SFHVURJKSA-N 2 0 349.479 1.325 20 0 EDADRP CCCn1cc([C@H](C)N[C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)nn1 ZINC000903110691 592121537 /nfs/dbraw/zinc/12/15/37/592121537.db2.gz BSZUROYPAKOKAI-QBBQCFRVSA-N 2 0 335.496 1.818 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(NCc3nccn3C)cc2)CCN1C ZINC000900847733 592146885 /nfs/dbraw/zinc/14/68/85/592146885.db2.gz PSMMTTOZJQNSMP-AWEZNQCLSA-N 2 0 327.432 1.808 20 0 EDADRP OC1(C2(C[NH2+]C3CCN(Cc4ccccn4)CC3)CC2)CCOCC1 ZINC000903350016 592157583 /nfs/dbraw/zinc/15/75/83/592157583.db2.gz OKIXMAXQORFMQA-UHFFFAOYSA-N 2 0 345.487 1.957 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)C1CC[NH+](C)CC1 ZINC000903433365 592168777 /nfs/dbraw/zinc/16/87/77/592168777.db2.gz ANLNFYQGSOWWQT-DGCLKSJQSA-N 2 0 339.871 1.734 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900931238 592177087 /nfs/dbraw/zinc/17/70/87/592177087.db2.gz DXOOTTQIUNBWBS-JQHSSLGASA-N 2 0 337.508 1.555 20 0 EDADRP C(c1noc(C2CCC2)n1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506071 592181802 /nfs/dbraw/zinc/18/18/02/592181802.db2.gz NRBXNLAMWCTJJW-IYBDPMFKSA-N 2 0 331.464 1.738 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccc(C)c(F)c1)C2 ZINC000903490967 592184403 /nfs/dbraw/zinc/18/44/03/592184403.db2.gz OYGZUPJRVCHRQI-JCGVRSQUSA-N 2 0 349.406 1.285 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOc1c(C)cccc1C)C2 ZINC000903492399 592185124 /nfs/dbraw/zinc/18/51/24/592185124.db2.gz CCSZBOQXFPEQBS-FCEWJHQRSA-N 2 0 332.444 1.895 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCO[C@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496938 592188188 /nfs/dbraw/zinc/18/81/88/592188188.db2.gz KTJUXNNPYVDJKE-HZMVEIRTSA-N 2 0 325.497 1.615 20 0 EDADRP Cc1cc(NC(=O)[C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)on1 ZINC000903509350 592189984 /nfs/dbraw/zinc/18/99/84/592189984.db2.gz FWHDJLBRDSEDQI-BMFZPTHFSA-N 2 0 347.463 1.211 20 0 EDADRP COC(=O)[C@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507438 592198943 /nfs/dbraw/zinc/19/89/43/592198943.db2.gz ZQIMIPIDTWRDDN-BBWFWOEESA-N 2 0 349.500 1.863 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000901026525 592203595 /nfs/dbraw/zinc/20/35/95/592203595.db2.gz MJZAVUZXZLMNML-USSHROBNSA-N 2 0 335.492 1.476 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906651687 592235772 /nfs/dbraw/zinc/23/57/72/592235772.db2.gz UQUDOYFGKASHFI-UHFFFAOYSA-N 2 0 334.464 1.523 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])n1 ZINC000904352811 592237090 /nfs/dbraw/zinc/23/70/90/592237090.db2.gz BOUJUSKPQDNMQO-GDBMZVCRSA-N 2 0 328.420 1.191 20 0 EDADRP Cn1nc2c(c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC2 ZINC000906671238 592252524 /nfs/dbraw/zinc/25/25/24/592252524.db2.gz PFWBWOZVJIRCMT-UHFFFAOYSA-N 2 0 335.496 1.254 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]([C@H]3CCOC3)C2)cnn1C ZINC000904473877 592268813 /nfs/dbraw/zinc/26/88/13/592268813.db2.gz UXIIVQVZCIEMBH-KURKYZTESA-N 2 0 334.508 1.985 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)c1 ZINC000904511563 592274913 /nfs/dbraw/zinc/27/49/13/592274913.db2.gz SLTIIIRHHIFQFZ-DLBZAZTESA-N 2 0 332.448 1.469 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000906703329 592276147 /nfs/dbraw/zinc/27/61/47/592276147.db2.gz OQNBLVBABKRVNS-LJQANCHMSA-N 2 0 344.503 1.261 20 0 EDADRP CC(C)N(C)C(=O)C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723023 592284036 /nfs/dbraw/zinc/28/40/36/592284036.db2.gz RZMLMTDPAVULKI-QGZVFWFLSA-N 2 0 337.508 1.724 20 0 EDADRP O=C1C[C@H](c2ccccc2)[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723327 592284053 /nfs/dbraw/zinc/28/40/53/592284053.db2.gz VGOJZQQKTTYQBA-ZHALLVOQSA-N 2 0 329.444 1.318 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000904589973 592287778 /nfs/dbraw/zinc/28/77/78/592287778.db2.gz QSQNZJHLOOMMBG-UHFFFAOYSA-N 3 0 335.496 1.838 20 0 EDADRP C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732619 592288052 /nfs/dbraw/zinc/28/80/52/592288052.db2.gz FQJXXDWYHVSGPH-UYAOXDASSA-N 2 0 345.487 1.724 20 0 EDADRP Cn1ccnc1[C@H]1CN(C(=O)Nc2ccccc2C[NH3+])CCN1C ZINC000904639648 592301548 /nfs/dbraw/zinc/30/15/48/592301548.db2.gz KHOPJVUKXKDDSR-OAHLLOKOSA-N 2 0 328.420 1.399 20 0 EDADRP [NH3+]C[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000903770855 592310978 /nfs/dbraw/zinc/31/09/78/592310978.db2.gz ZOLXECVOEAJZKL-HZSPNIEDSA-N 3 0 335.414 1.604 20 0 EDADRP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)no1 ZINC000903780507 592320139 /nfs/dbraw/zinc/32/01/39/592320139.db2.gz HUDAELCWDCNXBW-JTTVYXJLSA-N 2 0 332.448 1.857 20 0 EDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000903842453 592338843 /nfs/dbraw/zinc/33/88/43/592338843.db2.gz OXUBBCUXRQVUNW-DZKIICNBSA-N 2 0 335.473 1.439 20 0 EDADRP CCS(=O)(=O)N(C)C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904600 592372386 /nfs/dbraw/zinc/37/23/86/592372386.db2.gz XCXBCXQWJOKYTA-GOOCMWNKSA-N 2 0 329.510 1.263 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000903906316 592374144 /nfs/dbraw/zinc/37/41/44/592374144.db2.gz VLQPJFMRJHBIDC-AOIWGVFYSA-N 2 0 340.475 1.377 20 0 EDADRP Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903912273 592375119 /nfs/dbraw/zinc/37/51/19/592375119.db2.gz CJMGPNFTAQGAFH-LSDHHAIUSA-N 2 0 329.452 1.316 20 0 EDADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903913933 592376276 /nfs/dbraw/zinc/37/62/76/592376276.db2.gz FTWOWDHKCROJFO-YJBOKZPZSA-N 2 0 349.479 1.614 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](c3nccn3C)C2)cnn1C ZINC000903913974 592376399 /nfs/dbraw/zinc/37/63/99/592376399.db2.gz QYDMDMPSDIUQIU-HOTGVXAUSA-N 2 0 330.480 1.459 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903927530 592380535 /nfs/dbraw/zinc/38/05/35/592380535.db2.gz ZQSZWHTVLXFFLR-HNNXBMFYSA-N 2 0 332.448 1.653 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)C2=O)n1 ZINC000903926491 592381003 /nfs/dbraw/zinc/38/10/03/592381003.db2.gz SVWQEYFSIGLWQZ-KRWDZBQOSA-N 2 0 339.443 1.351 20 0 EDADRP C[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903934392 592386066 /nfs/dbraw/zinc/38/60/66/592386066.db2.gz GIJGUFIIWIJIKG-GOOCMWNKSA-N 2 0 345.443 1.859 20 0 EDADRP Cc1nn(C)c(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903979986 592400634 /nfs/dbraw/zinc/40/06/34/592400634.db2.gz BCMLTVSLOQMDOT-GASCZTMLSA-N 2 0 337.899 1.783 20 0 EDADRP C[C@@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905243986 592474455 /nfs/dbraw/zinc/47/44/55/592474455.db2.gz NYPWUBKCHDTZCX-MOPGFXCFSA-N 2 0 348.487 1.391 20 0 EDADRP C[C@]1(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244007 592474837 /nfs/dbraw/zinc/47/48/37/592474837.db2.gz OEIZNTACRZHBOR-ZCNNSNEGSA-N 2 0 348.487 1.391 20 0 EDADRP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905436291 592534207 /nfs/dbraw/zinc/53/42/07/592534207.db2.gz WQIGLQLASMZCGE-WBVHZDCISA-N 2 0 349.475 1.107 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)NC3CC[NH+](C4CC4)CC3)co2)C1 ZINC000905633058 592591703 /nfs/dbraw/zinc/59/17/03/592591703.db2.gz JYWSXGWJLZEKRJ-HNNXBMFYSA-N 2 0 348.447 1.252 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCO[C@@H](c3cncn3C)C2)C1 ZINC000907559471 592708917 /nfs/dbraw/zinc/70/89/17/592708917.db2.gz LTGWIUAGCUPKBR-YQQAZPJKSA-N 2 0 334.464 1.878 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000907601986 592728358 /nfs/dbraw/zinc/72/83/58/592728358.db2.gz ALBDZCVRKRGDPF-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911633224 592970303 /nfs/dbraw/zinc/97/03/03/592970303.db2.gz FHFHQPAOTHLOBL-DGCLKSJQSA-N 2 0 343.393 1.822 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)C(C)C ZINC000911230677 592970666 /nfs/dbraw/zinc/97/06/66/592970666.db2.gz QIYJYPIYEVLDFQ-INIZCTEOSA-N 2 0 340.512 1.260 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000911720771 592988056 /nfs/dbraw/zinc/98/80/56/592988056.db2.gz HXIKMCPFXKBLES-QGZVFWFLSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC[NH2+]1 ZINC000911734699 592992294 /nfs/dbraw/zinc/99/22/94/592992294.db2.gz ASVZSFCHVICIKY-ZIAGYGMSSA-N 2 0 345.443 1.922 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911775038 593002561 /nfs/dbraw/zinc/00/25/61/593002561.db2.gz PCQXOTVUDWXZRS-RCMYXZNBSA-N 2 0 331.460 1.708 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)CC1 ZINC000911358261 593005058 /nfs/dbraw/zinc/00/50/58/593005058.db2.gz MTNCAIMTIOPUFO-SWKXRBFHSA-N 2 0 338.496 1.014 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000911874959 593029212 /nfs/dbraw/zinc/02/92/12/593029212.db2.gz GDKHNOWUDISAMP-KRWDZBQOSA-N 2 0 337.508 1.903 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000912014735 593052195 /nfs/dbraw/zinc/05/21/95/593052195.db2.gz NSGUFBPGJFKDOP-BRWVUGGUSA-N 2 0 337.508 1.914 20 0 EDADRP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912346532 593087801 /nfs/dbraw/zinc/08/78/01/593087801.db2.gz JNUCPQHADRMVHO-QZTJIDSGSA-N 2 0 335.492 1.763 20 0 EDADRP C[NH+](C)CCCNC(=S)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000840815801 593210035 /nfs/dbraw/zinc/21/00/35/593210035.db2.gz HXOBPWUKNJKXSF-UHFFFAOYSA-N 2 0 342.553 1.247 20 0 EDADRP CN(CCC[N@H+](C)C1CN(C(=O)OC(C)(C)C)C1)CC[NH+](C)C ZINC000808781810 593287927 /nfs/dbraw/zinc/28/79/27/593287927.db2.gz SCNXOEHARQQKBH-UHFFFAOYSA-N 2 0 328.501 1.421 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2C(=O)[C@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030743 593395038 /nfs/dbraw/zinc/39/50/38/593395038.db2.gz MNCWDXWMCOUHFD-JDFNMSKQSA-N 2 0 345.487 1.781 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000810441470 593402246 /nfs/dbraw/zinc/40/22/46/593402246.db2.gz MWYJURVKEYLSGZ-MAUKXSAKSA-N 2 0 341.471 1.380 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCS(=O)(=O)C(C)(C)C)CC[NH2+]CC1 ZINC000817911833 593647808 /nfs/dbraw/zinc/64/78/08/593647808.db2.gz KWKCLFLQWGGMOV-CYBMUJFWSA-N 2 0 348.509 1.111 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2cccc(C)c2)CC[NH2+]CC1 ZINC000817910643 593647892 /nfs/dbraw/zinc/64/78/92/593647892.db2.gz XDSDIVBQJSBRSH-RDJZCZTQSA-N 2 0 334.460 1.939 20 0 EDADRP C[C@H]([NH2+]CC1C[NH2+]C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000817964696 593652387 /nfs/dbraw/zinc/65/23/87/593652387.db2.gz FGJMTFHOCOOYSE-WMLDXEAASA-N 2 0 333.432 1.222 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2ccc(F)cn2)CC1 ZINC000818981137 593732020 /nfs/dbraw/zinc/73/20/20/593732020.db2.gz PSKMXUZCGFYXJW-KRWDZBQOSA-N 2 0 345.422 1.191 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819035207 593734838 /nfs/dbraw/zinc/73/48/38/593734838.db2.gz VPNNZKQMAIDLIV-CZUORRHYSA-N 2 0 345.409 1.964 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000819135197 593740826 /nfs/dbraw/zinc/74/08/26/593740826.db2.gz VBOXWPUFZANJKZ-KFWWJZLASA-N 2 0 329.485 1.725 20 0 EDADRP C[NH+]1CCC(OCC(=O)N[C@@H]2[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000820107032 593791664 /nfs/dbraw/zinc/79/16/64/593791664.db2.gz NUOFIUULEUZJPB-RUYXUALKSA-N 2 0 343.471 1.344 20 0 EDADRP CN(CC[N@H+](C)Cc1cccc(-c2nn[nH]n2)c1)C1CC[NH+](C)CC1 ZINC000821622087 593883768 /nfs/dbraw/zinc/88/37/68/593883768.db2.gz ROVIUTICLXXRAZ-UHFFFAOYSA-N 2 0 343.479 1.325 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@H]21 ZINC000821625075 593886358 /nfs/dbraw/zinc/88/63/58/593886358.db2.gz FCZPBSJAGWHPRE-DOTOQJQBSA-N 2 0 342.447 1.662 20 0 EDADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(-c3nn[nH]n3)c2)CC1 ZINC000821255038 593998777 /nfs/dbraw/zinc/99/87/77/593998777.db2.gz SHEKEBNNLYRVCB-UHFFFAOYSA-N 2 0 330.436 1.697 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCN2CCCO)C1 ZINC000824565547 594039518 /nfs/dbraw/zinc/03/95/18/594039518.db2.gz YJLHNXLNVFUDLW-KFWWJZLASA-N 2 0 348.434 1.790 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585250 594042823 /nfs/dbraw/zinc/04/28/23/594042823.db2.gz OPFLBBIQJAVYTH-PBHICJAKSA-N 2 0 344.463 1.754 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1cc(C(F)F)n(C)n1 ZINC000824820452 594079724 /nfs/dbraw/zinc/07/97/24/594079724.db2.gz ZHCSSGMDSQNFDD-NSHDSACASA-N 2 0 331.411 1.360 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000824942556 594101723 /nfs/dbraw/zinc/10/17/23/594101723.db2.gz XAHPVYAWRSKMSB-MOPGFXCFSA-N 2 0 345.487 1.742 20 0 EDADRP COc1cc(-c2noc(C[C@H]3CC[NH2+]C3)n2)ccc1OCC[NH+](C)C ZINC000822925861 594123082 /nfs/dbraw/zinc/12/30/82/594123082.db2.gz MBNOXGSFDXQWDJ-CYBMUJFWSA-N 2 0 346.431 1.838 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4CCC[NH2+]C4)n3)c2)CC1 ZINC000822980792 594131556 /nfs/dbraw/zinc/13/15/56/594131556.db2.gz NLOBOEMUAASAQV-CYBMUJFWSA-N 2 0 328.420 1.350 20 0 EDADRP CC[NH+](CC)CCOc1ccc(-c2nc(N3CC[NH2+]CC3)no2)cc1 ZINC000823315014 594184265 /nfs/dbraw/zinc/18/42/65/594184265.db2.gz ITASKCGASOFIIN-UHFFFAOYSA-N 2 0 345.447 1.867 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1-c1nn[nH]n1 ZINC000825850192 594262277 /nfs/dbraw/zinc/26/22/77/594262277.db2.gz OJDUACJWZNCPOG-PVAVHDDUSA-N 2 0 342.447 1.550 20 0 EDADRP C[C@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000828094505 594340016 /nfs/dbraw/zinc/34/00/16/594340016.db2.gz TVENWFLZBQTLNA-GUYCJALGSA-N 2 0 348.466 1.882 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H]1C ZINC000826686696 594555863 /nfs/dbraw/zinc/55/58/63/594555863.db2.gz WNZYCFRDLBYKIA-MPTYRVRUSA-N 2 0 338.496 1.220 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC[NH2+]C1 ZINC000827250052 594656377 /nfs/dbraw/zinc/65/63/77/594656377.db2.gz NUEYOSHYHABPNV-LJQANCHMSA-N 2 0 346.475 1.393 20 0 EDADRP CCO[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)C[NH+](C)C ZINC000831719780 594695903 /nfs/dbraw/zinc/69/59/03/594695903.db2.gz UTUQDUCRIIBQMO-CVEARBPZSA-N 2 0 343.537 1.287 20 0 EDADRP CCO[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C[NH+](C)C ZINC000831743576 594698347 /nfs/dbraw/zinc/69/83/47/594698347.db2.gz JWNWIIULAVQFCN-MRXNPFEDSA-N 2 0 341.496 1.104 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cnc1Cl ZINC000841070124 594847360 /nfs/dbraw/zinc/84/73/60/594847360.db2.gz KGGGOZWKYYNMTG-GFCCVEGCSA-N 2 0 336.789 1.969 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841846928 594964201 /nfs/dbraw/zinc/96/42/01/594964201.db2.gz DFPSWJRDAGKOOW-IRXDYDNUSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@]1(CNC(=O)NC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841899156 594977240 /nfs/dbraw/zinc/97/72/40/594977240.db2.gz SVWQXJRELATYPA-IBGZPJMESA-N 2 0 330.476 1.950 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841928643 594983736 /nfs/dbraw/zinc/98/37/36/594983736.db2.gz QPKAHIJRIABAAK-QZTJIDSGSA-N 2 0 330.476 1.814 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CCC(C)(C)[NH3+])n3)cn2)CC1 ZINC000843207310 595034852 /nfs/dbraw/zinc/03/48/52/595034852.db2.gz NWCRZCXHPVTBDQ-UHFFFAOYSA-N 2 0 344.463 1.943 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843489507 595128097 /nfs/dbraw/zinc/12/80/97/595128097.db2.gz GCBFNWNBKOAQIS-NJAFHUGGSA-N 2 0 331.460 1.392 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000843494212 595130101 /nfs/dbraw/zinc/13/01/01/595130101.db2.gz PVANZGGEPZGFJN-HOTGVXAUSA-N 2 0 339.867 1.828 20 0 EDADRP CCON(C)C(=O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000846064307 595133817 /nfs/dbraw/zinc/13/38/17/595133817.db2.gz HZVCCPQVIYBRPF-UHFFFAOYSA-N 2 0 335.448 1.661 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CN1C[C@@]3(C[NH+]4CCC3CC4)OC1=O)CCOCC2 ZINC000842639236 595152942 /nfs/dbraw/zinc/15/29/42/595152942.db2.gz QCBKENYKWBDXBH-DNVCBOLYSA-N 2 0 349.475 1.752 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000844165362 595288368 /nfs/dbraw/zinc/28/83/68/595288368.db2.gz DFKPKSSNSBRPEC-MSOLQXFVSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@]([NH3+])(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000844171682 595290996 /nfs/dbraw/zinc/29/09/96/595290996.db2.gz QDHURPIYZMEJGZ-IEBWSBKVSA-N 2 0 331.460 1.620 20 0 EDADRP C[NH+]1CCC(ONC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000846649055 595293228 /nfs/dbraw/zinc/29/32/28/595293228.db2.gz CUTPUGYBOZATQQ-CQSZACIVSA-N 2 0 327.494 1.346 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)CO[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000844177846 595293598 /nfs/dbraw/zinc/29/35/98/595293598.db2.gz HYCYHLBUHJVQGE-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844189544 595297568 /nfs/dbraw/zinc/29/75/68/595297568.db2.gz NEZNNFGELBMSFG-ZWKOTPCHSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000846681471 595300659 /nfs/dbraw/zinc/30/06/59/595300659.db2.gz IOHHKMUTTZEDQU-SFHVURJKSA-N 2 0 347.507 1.435 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc(C[C@H]3CSCC[NH2+]3)n2)c1 ZINC000843186327 595301582 /nfs/dbraw/zinc/30/15/82/595301582.db2.gz OVWIEHBRUAUUTR-AWEZNQCLSA-N 2 0 348.472 1.925 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000844222183 595306764 /nfs/dbraw/zinc/30/67/64/595306764.db2.gz ZGOVRUQOZWVFJJ-GOSISDBHSA-N 2 0 338.540 1.914 20 0 EDADRP CCN1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)OC1=O ZINC000846850977 595326433 /nfs/dbraw/zinc/32/64/33/595326433.db2.gz LCQHIZRFVPRMGP-QGZVFWFLSA-N 2 0 339.480 1.652 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NC[C@H](C)[NH+]2CCCC2)cc1OC ZINC000849061520 595476619 /nfs/dbraw/zinc/47/66/19/595476619.db2.gz KDMNIFODNYRXNZ-AWEZNQCLSA-N 2 0 334.464 1.845 20 0 EDADRP COCCN(C)CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849073689 595478187 /nfs/dbraw/zinc/47/81/87/595478187.db2.gz WXORUXBAUNWTNX-UHFFFAOYSA-N 2 0 347.507 1.343 20 0 EDADRP C[S@](=O)C1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000849108543 595482999 /nfs/dbraw/zinc/48/29/99/595482999.db2.gz XBWPEFBIBOTZEQ-DEOSSOPVSA-N 2 0 348.516 1.676 20 0 EDADRP [NH2+]=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)NC1CCC1 ZINC000849110250 595483364 /nfs/dbraw/zinc/48/33/64/595483364.db2.gz CYRQEPHHAWRSCC-UHFFFAOYSA-N 2 0 329.492 1.861 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596633 595586813 /nfs/dbraw/zinc/58/68/13/595586813.db2.gz AWOZNVIGSNLRPD-MSOLQXFVSA-N 2 0 347.507 1.254 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)=NO1 ZINC000852868844 595588365 /nfs/dbraw/zinc/58/83/65/595588365.db2.gz VYHMMBGIQBEESE-NPYXIHBLSA-N 2 0 342.443 1.402 20 0 EDADRP CC(C)(C)OC(=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000857766476 595600785 /nfs/dbraw/zinc/60/07/85/595600785.db2.gz RAXVSIDBTRTBHG-UHFFFAOYSA-N 2 0 347.459 1.438 20 0 EDADRP Cc1nn(CCN2C[C@H]3CC[C@@H](C2)O3)c(C)c1[C@H]1COCCN1C ZINC000852962438 595631565 /nfs/dbraw/zinc/63/15/65/595631565.db2.gz GDGNGWWSLSDTPX-IXDOHACOSA-N 2 0 334.464 1.366 20 0 EDADRP CC[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000853248533 595719243 /nfs/dbraw/zinc/71/92/43/595719243.db2.gz VGTOFRQAHUSVSW-WBVHZDCISA-N 2 0 325.497 1.772 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn[nH]c3)C2)ccn1 ZINC000856584192 596020589 /nfs/dbraw/zinc/02/05/89/596020589.db2.gz DTJTZRAGONDWHS-SFHVURJKSA-N 2 0 329.448 1.952 20 0 EDADRP CCCNC(=O)OC[C@H]1CCCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000852047846 596022688 /nfs/dbraw/zinc/02/26/88/596022688.db2.gz IXJSOYKPLCEMKJ-CVEARBPZSA-N 2 0 329.485 1.678 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H](C)C(=O)N(C)C)C2)ccn1 ZINC000856596028 596027831 /nfs/dbraw/zinc/02/78/31/596027831.db2.gz PTKHKIFZFCMJQA-PBHICJAKSA-N 2 0 334.464 1.463 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000861555494 596028631 /nfs/dbraw/zinc/02/86/31/596028631.db2.gz OAONATIXOKHORE-WMZOPIPTSA-N 2 0 347.507 1.354 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)C[C@H](C)[NH3+])CC2)c1 ZINC000861560238 596029720 /nfs/dbraw/zinc/02/97/20/596029720.db2.gz WPOALHRAOKJRQC-KRWDZBQOSA-N 2 0 347.507 1.496 20 0 EDADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298641 596207957 /nfs/dbraw/zinc/20/79/57/596207957.db2.gz CYLZHCHTJZPSRZ-CEXWTWQISA-N 2 0 343.471 1.387 20 0 EDADRP O=C(Oc1ccccc1)N1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852745558 596237306 /nfs/dbraw/zinc/23/73/06/596237306.db2.gz WIJDLNXQHHDPRH-QGZVFWFLSA-N 2 0 345.443 1.714 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCC([NH+]3CCOCC3)CC2)C1 ZINC000862214213 596276063 /nfs/dbraw/zinc/27/60/63/596276063.db2.gz KCHORKHWUPZNBV-GOSISDBHSA-N 2 0 341.471 1.522 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC000866706893 596302252 /nfs/dbraw/zinc/30/22/52/596302252.db2.gz FXCLGKVYAQYMHK-XPKDYRNWSA-N 2 0 335.379 1.071 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C[N@@H+]1C1CC1 ZINC000870928393 596409328 /nfs/dbraw/zinc/40/93/28/596409328.db2.gz FRHWTPQOVATTTD-AAEUAGOBSA-N 2 0 334.489 1.965 20 0 EDADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1cccc(Br)c1 ZINC000870959277 596418546 /nfs/dbraw/zinc/41/85/46/596418546.db2.gz BAHHMMWLHCPJAL-ZLDLUXBVSA-N 2 0 338.249 1.789 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000870980952 596428584 /nfs/dbraw/zinc/42/85/84/596428584.db2.gz ALQHAJMZHMRRQY-VQIMIIECSA-N 2 0 344.503 1.561 20 0 EDADRP COCC[C@@H](C[NH2+]CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000865450148 596578223 /nfs/dbraw/zinc/57/82/23/596578223.db2.gz LTAUPGPGYPBSQH-HNNXBMFYSA-N 2 0 329.485 1.848 20 0 EDADRP Cn1ncc2cc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)cnc21 ZINC000865461675 596582343 /nfs/dbraw/zinc/58/23/43/596582343.db2.gz XHXGHXYQVQBIFJ-INIZCTEOSA-N 2 0 328.464 1.226 20 0 EDADRP C[NH+](C)CCOc1ccc(NC[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000863559766 596618987 /nfs/dbraw/zinc/61/89/87/596618987.db2.gz UQFSCNYORLTFMT-OAHLLOKOSA-N 2 0 325.428 1.635 20 0 EDADRP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nnn1C[C@@H]1CCCO1 ZINC000865634782 596633946 /nfs/dbraw/zinc/63/39/46/596633946.db2.gz GSAULIJWLYLKHS-SFHVURJKSA-N 2 0 333.480 1.669 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(Br)c1 ZINC000867974365 596640522 /nfs/dbraw/zinc/64/05/22/596640522.db2.gz IPJNVAKBXOHSEU-CHWSQXEVSA-N 2 0 338.249 1.707 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)nc2N)C[C@H]1C[NH+](C)C ZINC000870018166 596710213 /nfs/dbraw/zinc/71/02/13/596710213.db2.gz XBODCBDBCXNYSX-VXGBXAGGSA-N 2 0 339.871 1.129 20 0 EDADRP CC[C@H](C)CC[C@H](O)CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018831 596710797 /nfs/dbraw/zinc/71/07/97/596710797.db2.gz HJUQTAHCXVMTOM-MLHJIOFPSA-N 2 0 341.540 1.762 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3nccn3c2)C[C@H]1C[NH+](C)C ZINC000870022087 596712676 /nfs/dbraw/zinc/71/26/76/596712676.db2.gz OTLJURFJTCATNJ-HZPDHXFCSA-N 2 0 329.448 1.146 20 0 EDADRP CC[C@H]1C[C@@H](CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870022707 596713078 /nfs/dbraw/zinc/71/30/78/596713078.db2.gz YIBYPWHGEUGUDQ-MLHJIOFPSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)oc3c2)C[C@H]1C[NH+](C)C ZINC000870023284 596713311 /nfs/dbraw/zinc/71/33/11/596713311.db2.gz RIQUGVVIFGQMPE-ZIAGYGMSSA-N 2 0 346.431 1.345 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc(F)c2)C[C@H]1C[NH+](C)C ZINC000870023832 596713762 /nfs/dbraw/zinc/71/37/62/596713762.db2.gz BSSRMIWKRYRNBO-ZIAGYGMSSA-N 2 0 325.403 1.776 20 0 EDADRP COC(C)(C)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000868212459 596726186 /nfs/dbraw/zinc/72/61/86/596726186.db2.gz RVGZLTIYARAVTM-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868229881 596736050 /nfs/dbraw/zinc/73/60/50/596736050.db2.gz SPAVEZYCKSKVSV-LSDHHAIUSA-N 2 0 332.448 1.144 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ncc(C(N)=O)cc2Cl)C[C@H]1C[NH+](C)C ZINC000866012387 596757485 /nfs/dbraw/zinc/75/74/85/596757485.db2.gz AZXDBYAQPKCBJQ-CHWSQXEVSA-N 2 0 339.871 1.010 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)CC1 ZINC000868282169 596763206 /nfs/dbraw/zinc/76/32/06/596763206.db2.gz UBQCENNSCGVXAZ-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CCOCC4)C2)C1 ZINC000872144589 596809436 /nfs/dbraw/zinc/80/94/36/596809436.db2.gz HNWNGQWNNGWQEF-MHORFTMASA-N 2 0 338.492 1.790 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)[C@@H]1CCC[NH2+]1 ZINC000872142762 596809512 /nfs/dbraw/zinc/80/95/12/596809512.db2.gz CNLGHIKEAKPNIZ-KFGODFMUSA-N 2 0 335.492 1.524 20 0 EDADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158250 596816854 /nfs/dbraw/zinc/81/68/54/596816854.db2.gz UJHFSHNEXDHSSZ-ZBFHGGJFSA-N 2 0 331.526 1.545 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](COC(=O)Cc2cn3cc(F)ccc3n2)C1 ZINC000870283498 596823173 /nfs/dbraw/zinc/82/31/73/596823173.db2.gz KIHIXHNRSYYWDT-HNNXBMFYSA-N 2 0 335.379 1.668 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@H](C)C1 ZINC000872191229 596828051 /nfs/dbraw/zinc/82/80/51/596828051.db2.gz XUEHTBQNRIPXLQ-CVEARBPZSA-N 2 0 340.512 1.153 20 0 EDADRP C[C@@H]1CSC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875576522 596903373 /nfs/dbraw/zinc/90/33/73/596903373.db2.gz XAOUNYYXLIBIBM-TUVASFSCSA-N 2 0 328.526 1.119 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CS1 ZINC000875666908 596939428 /nfs/dbraw/zinc/93/94/28/596939428.db2.gz IMJIPBOYVTZWIR-KBUPBQIOSA-N 2 0 328.526 1.261 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCC1 ZINC000874431755 597075513 /nfs/dbraw/zinc/07/55/13/597075513.db2.gz QZJXDMKWTUYKCO-RYUDHWBXSA-N 2 0 336.402 1.639 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000876203974 597134099 /nfs/dbraw/zinc/13/40/99/597134099.db2.gz SCGLZONRHHJNND-IAGOWNOFSA-N 2 0 338.496 1.149 20 0 EDADRP CCCN(Cc1cc2c(s1)CC[NH2+]C2)[C@@H]1CCS(=O)(=O)C1 ZINC000873201768 597225247 /nfs/dbraw/zinc/22/52/47/597225247.db2.gz WKLZAFNZTXLVED-CYBMUJFWSA-N 2 0 328.503 1.793 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873210504 597229091 /nfs/dbraw/zinc/22/90/91/597229091.db2.gz IHIDIGLZAUKTNZ-CQSZACIVSA-N 3 0 336.505 1.213 20 0 EDADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000876557167 597240385 /nfs/dbraw/zinc/24/03/85/597240385.db2.gz VNJVFGKVTOHOIF-DKRLNXSXSA-N 2 0 335.492 1.694 20 0 EDADRP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000873282204 597248251 /nfs/dbraw/zinc/24/82/51/597248251.db2.gz GIVXFXCOCTWPCT-OUAUKWLOSA-N 2 0 332.313 1.905 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000873304155 597251784 /nfs/dbraw/zinc/25/17/84/597251784.db2.gz LVTZJOOHYIZQCE-KBXCAEBGSA-N 2 0 332.448 1.700 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000875152615 597304423 /nfs/dbraw/zinc/30/44/23/597304423.db2.gz TWQFBQWCKIXKGD-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876719705 597304452 /nfs/dbraw/zinc/30/44/52/597304452.db2.gz SNUSZMFUNNBVJD-QAPCUYQASA-N 2 0 332.492 1.424 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@@]2(COC)C[NH2+]CCO2)c1 ZINC000876724909 597306784 /nfs/dbraw/zinc/30/67/84/597306784.db2.gz BTSWXMJQPLKYJR-SFHVURJKSA-N 2 0 335.448 1.472 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876771509 597333438 /nfs/dbraw/zinc/33/34/38/597333438.db2.gz YPDDQRYOYBAQDV-UJZCVKTISA-N 2 0 330.432 1.341 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000876772372 597334268 /nfs/dbraw/zinc/33/42/68/597334268.db2.gz BHQPLDAXPSHQGK-GFCCVEGCSA-N 2 0 336.505 1.990 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000876786129 597340101 /nfs/dbraw/zinc/34/01/01/597340101.db2.gz KALUMQIOMOHUSA-BRWVUGGUSA-N 2 0 345.491 1.720 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000876800688 597344323 /nfs/dbraw/zinc/34/43/23/597344323.db2.gz PPSBQMCAFYFVET-MRXNPFEDSA-N 2 0 329.404 1.455 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000876870589 597363507 /nfs/dbraw/zinc/36/35/07/597363507.db2.gz OUXSXKSKHGWJDI-OLZOCXBDSA-N 2 0 331.338 1.200 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000876888538 597370388 /nfs/dbraw/zinc/37/03/88/597370388.db2.gz DTPSCHDECZPBRB-IAGOWNOFSA-N 2 0 337.508 1.711 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876897722 597375672 /nfs/dbraw/zinc/37/56/72/597375672.db2.gz VDNWTQLNKNOTHP-RCCFBDPRSA-N 2 0 349.450 1.341 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CCCO1 ZINC000876920222 597385431 /nfs/dbraw/zinc/38/54/31/597385431.db2.gz KNSZNMXNBBOXBT-QWHCGFSZSA-N 2 0 331.338 1.281 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000876947784 597393523 /nfs/dbraw/zinc/39/35/23/597393523.db2.gz BISRRALTXHGFPX-MRVWCRGKSA-N 2 0 345.365 1.527 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)/C=C/[C@H]2CCC[NH2+]C2)cc1 ZINC000876964588 597399804 /nfs/dbraw/zinc/39/98/04/597399804.db2.gz KNHGZZQFKFPCQI-JBASPIJXSA-N 2 0 343.471 1.813 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000875407829 597416150 /nfs/dbraw/zinc/41/61/50/597416150.db2.gz OOORLUKZKSAZLH-JCYILVPMSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000877031074 597417610 /nfs/dbraw/zinc/41/76/10/597417610.db2.gz QNLKXUXZLDXPGF-DXCKQFNASA-N 2 0 328.416 1.233 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000877080560 597427190 /nfs/dbraw/zinc/42/71/90/597427190.db2.gz DLIQELAWMKNLRV-QZJSNOFBSA-N 2 0 335.492 1.502 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@H](C)O1 ZINC000875441525 597429600 /nfs/dbraw/zinc/42/96/00/597429600.db2.gz FTCFTXMIIZJYKZ-ZHCJQAHYSA-N 2 0 340.512 1.323 20 0 EDADRP CC(C)OCCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875479910 597446373 /nfs/dbraw/zinc/44/63/73/597446373.db2.gz CWJSKMKEXKBWSW-IAGOWNOFSA-N 2 0 342.528 1.572 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC[C@@H]21 ZINC000877250977 597480186 /nfs/dbraw/zinc/48/01/86/597480186.db2.gz VJDNMMMDNRIUIF-AEFFLSMTSA-N 2 0 327.472 1.860 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000877352539 597498780 /nfs/dbraw/zinc/49/87/80/597498780.db2.gz HJFOYZMSKAVORC-GJZGRUSLSA-N 2 0 343.393 1.757 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000877449291 597517011 /nfs/dbraw/zinc/51/70/11/597517011.db2.gz PXELTLWLZWMKKO-RYQLBKOJSA-N 2 0 337.508 1.901 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc2c(cnn2C)c1 ZINC000877525070 597530685 /nfs/dbraw/zinc/53/06/85/597530685.db2.gz PMVQSHYFGCHOMR-SFHVURJKSA-N 2 0 344.507 1.816 20 0 EDADRP CN(C)Cc1cnc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000877669821 597546559 /nfs/dbraw/zinc/54/65/59/597546559.db2.gz APPIMCZECKGUOL-HUUCEWRRSA-N 2 0 339.553 1.376 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccn2nccc12 ZINC000878589296 597645874 /nfs/dbraw/zinc/64/58/74/597645874.db2.gz JMVKYLFTFKKJHL-INIZCTEOSA-N 2 0 343.475 1.822 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000881632154 597665534 /nfs/dbraw/zinc/66/55/34/597665534.db2.gz KWZOACJALGNLDZ-ZBFHGGJFSA-N 2 0 334.489 1.556 20 0 EDADRP CC(C)C[N@H+](C[C@@H]1CCN(S(C)(=O)=O)C1)CC1CC[NH+](C)CC1 ZINC000879703697 597695261 /nfs/dbraw/zinc/69/52/61/597695261.db2.gz UOBWETIXFOZFJO-KRWDZBQOSA-N 2 0 345.553 1.568 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1)[C@H]1CCC[NH2+]1 ZINC000883424606 597741979 /nfs/dbraw/zinc/74/19/79/597741979.db2.gz XQJVZZYSWRQNPK-YESZJQIVSA-N 2 0 335.492 1.668 20 0 EDADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001368 597781296 /nfs/dbraw/zinc/78/12/96/597781296.db2.gz VPXLFQJSQLYHKH-IAGOWNOFSA-N 2 0 328.497 1.333 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnc(Cl)c2)C[C@H]1C[NH+](C)C ZINC000879071963 597810026 /nfs/dbraw/zinc/81/00/26/597810026.db2.gz YQKSGMIPFMSFTI-CHWSQXEVSA-N 2 0 339.871 1.938 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000883650824 597847141 /nfs/dbraw/zinc/84/71/41/597847141.db2.gz WHFUYQDIJXHKGG-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262102 597886431 /nfs/dbraw/zinc/88/64/31/597886431.db2.gz TWLWJODATZAOHD-NVXWUHKLSA-N 2 0 331.416 1.763 20 0 EDADRP CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000879327485 597887392 /nfs/dbraw/zinc/88/73/92/597887392.db2.gz VYBIRLDKFUADHM-JQHSSLGASA-N 2 0 333.476 1.905 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccn3ccnc3c2)C[C@H]1C[NH+](C)C ZINC000879449635 597920950 /nfs/dbraw/zinc/92/09/50/597920950.db2.gz USWXXJAWAWROSF-HUUCEWRRSA-N 2 0 344.463 1.537 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3nonc32)C[C@H]1C[NH+](C)C ZINC000879469861 597925410 /nfs/dbraw/zinc/92/54/10/597925410.db2.gz GBTDTZFBFRNPBL-CHWSQXEVSA-N 2 0 346.435 1.426 20 0 EDADRP CO[C@@H]1COCC[C@H]1[NH+](C)C/C=C\C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880431698 597932385 /nfs/dbraw/zinc/93/23/85/597932385.db2.gz DTWREOKBONXGMQ-AVXICVFVSA-N 2 0 342.480 1.014 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000883896562 597935364 /nfs/dbraw/zinc/93/53/64/597935364.db2.gz RFUIVYJPWBMMMB-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@](O)(C(N)=O)c1ccccc1 ZINC000880517774 597953634 /nfs/dbraw/zinc/95/36/34/597953634.db2.gz WMFMNNUQFTWJNW-LJQANCHMSA-N 2 0 333.476 1.557 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000882618606 598004284 /nfs/dbraw/zinc/00/42/84/598004284.db2.gz VPTOESPGEMXUDV-UHFFFAOYSA-N 2 0 345.553 1.998 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884175377 598015011 /nfs/dbraw/zinc/01/50/11/598015011.db2.gz REMAWIQDABNRSM-ZDUSSCGKSA-N 2 0 328.254 1.907 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000884185655 598018545 /nfs/dbraw/zinc/01/85/45/598018545.db2.gz CAMPHPBFYLDJTD-MPGHIAIKSA-N 2 0 349.475 1.276 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884200492 598025995 /nfs/dbraw/zinc/02/59/95/598025995.db2.gz CVLYDWYWUJEROV-HOTGVXAUSA-N 2 0 345.491 1.341 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N1CCCN(Cc2ccc(OC)cc2)CC1 ZINC000884305761 598060225 /nfs/dbraw/zinc/06/02/25/598060225.db2.gz HKSHISJFXCRACN-KRWDZBQOSA-N 2 0 335.448 1.093 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000884316425 598063160 /nfs/dbraw/zinc/06/31/60/598063160.db2.gz RYDBUIQNQYZXAQ-SJLPKXTDSA-N 2 0 331.460 1.841 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000884382358 598087560 /nfs/dbraw/zinc/08/75/60/598087560.db2.gz HPRWCSLCHHRUCI-JJXSEGSLSA-N 2 0 325.497 1.741 20 0 EDADRP Cn1cc(Cl)c(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000881168610 598090813 /nfs/dbraw/zinc/09/08/13/598090813.db2.gz GKFGGKHQBRSCCP-VXGBXAGGSA-N 2 0 342.875 1.277 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914068295 695057839 /nfs/dbraw/zinc/05/78/39/695057839.db2.gz JSZDHRJMVXOTDZ-ILXRZTDVSA-N 2 0 328.526 1.596 20 0 EDADRP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000914074332 695069291 /nfs/dbraw/zinc/06/92/91/695069291.db2.gz CQGKFHSUPGXCDT-CVEARBPZSA-N 2 0 340.537 1.597 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000914162442 695175132 /nfs/dbraw/zinc/17/51/32/695175132.db2.gz NXOBKDUQLDOGKK-RHSMWYFYSA-N 2 0 336.480 1.023 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]Cc4cnon4)[C@@H]3C2)CCC1 ZINC000992709173 695225862 /nfs/dbraw/zinc/22/58/62/695225862.db2.gz HRNKXRYYIWRGKM-IMJJTQAJSA-N 2 0 347.463 1.271 20 0 EDADRP Cc1cncn1CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992746063 695272794 /nfs/dbraw/zinc/27/27/94/695272794.db2.gz JGPDBZXYRJGKHR-USXIJHARSA-N 2 0 343.431 1.596 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@@H]2C1 ZINC000992852161 695408300 /nfs/dbraw/zinc/40/83/00/695408300.db2.gz CBNYAWXGRMWCGV-IMJJTQAJSA-N 2 0 334.439 1.947 20 0 EDADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031857006 700008171 /nfs/dbraw/zinc/00/81/71/700008171.db2.gz OQPOQJXPIMENLE-RMXPPQQLSA-N 2 0 335.492 1.334 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CCCF ZINC000993371578 696019961 /nfs/dbraw/zinc/01/99/61/696019961.db2.gz ZYHLLOWRNUUBOT-LSDHHAIUSA-N 2 0 339.459 1.387 20 0 EDADRP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cccnc1 ZINC000993768363 696365246 /nfs/dbraw/zinc/36/52/46/696365246.db2.gz ZOCSPTZRDCYPJY-MAUKXSAKSA-N 2 0 330.476 1.893 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940008699 700110697 /nfs/dbraw/zinc/11/06/97/700110697.db2.gz YRIDEKLCXZYWOH-INIZCTEOSA-N 2 0 334.439 1.786 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+](C1CC1)C1CCCCC1)C2=O ZINC000917429372 697019090 /nfs/dbraw/zinc/01/90/90/697019090.db2.gz OLYKSSHVGJISGZ-UHFFFAOYSA-N 2 0 334.464 1.757 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040836903 697240026 /nfs/dbraw/zinc/24/00/26/697240026.db2.gz ZRSMSJBVPMNGAW-DLBZAZTESA-N 2 0 339.524 1.922 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)CC[N@@H+]1C ZINC000920403724 697426493 /nfs/dbraw/zinc/42/64/93/697426493.db2.gz GXHXLLFINHVSNT-HYVNUMGLSA-N 2 0 333.480 1.856 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000921311309 697554216 /nfs/dbraw/zinc/55/42/16/697554216.db2.gz PCNRUDDFSKNRAE-INIZCTEOSA-N 2 0 337.493 1.384 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1CC[NH+]1C ZINC000921326634 697566693 /nfs/dbraw/zinc/56/66/93/697566693.db2.gz OKKFGBDBOUFHGK-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2nc(CN(C)C)cs2)C[N@@H+]1C1CC1 ZINC000921382661 697581248 /nfs/dbraw/zinc/58/12/48/697581248.db2.gz HMNHROUJQUZPJR-NEPJUHHUSA-N 2 0 337.493 1.629 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940110352 700223693 /nfs/dbraw/zinc/22/36/93/700223693.db2.gz XGYPPXGLZKXGTH-HNNXBMFYSA-N 2 0 348.495 1.159 20 0 EDADRP CC1([NH2+]Cc2cnns2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115582 700230544 /nfs/dbraw/zinc/23/05/44/700230544.db2.gz NQVKNHBNDGLNCG-HNNXBMFYSA-N 2 0 349.504 1.351 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115562 700230628 /nfs/dbraw/zinc/23/06/28/700230628.db2.gz MKXKCBCTIBWHRF-KRWDZBQOSA-N 2 0 346.475 1.796 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)CC2)C1 ZINC000941471032 701549876 /nfs/dbraw/zinc/54/98/76/701549876.db2.gz NWVQNEIABFKXFH-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000940124439 700257929 /nfs/dbraw/zinc/25/79/29/700257929.db2.gz DHRAFRYPTSSUDW-HZPDHXFCSA-N 2 0 348.447 1.009 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939054986 699115626 /nfs/dbraw/zinc/11/56/26/699115626.db2.gz RWIOYXXUBPWBJE-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc3nonc3c2)C1 ZINC001031777162 699162316 /nfs/dbraw/zinc/16/23/16/699162316.db2.gz XIDHCRXDVCWNHT-KRWDZBQOSA-N 2 0 343.431 1.255 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)cn1 ZINC000939136855 699223331 /nfs/dbraw/zinc/22/33/31/699223331.db2.gz CKBWUKIEJWSMKU-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939259908 699437913 /nfs/dbraw/zinc/43/79/13/699437913.db2.gz XFCJFHYHQLINCW-WBVHZDCISA-N 2 0 347.507 1.571 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)ncn1 ZINC000939395311 699545433 /nfs/dbraw/zinc/54/54/33/699545433.db2.gz GHVIWDOKMJMXNM-QAPCUYQASA-N 2 0 345.491 1.453 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC000995164487 701602564 /nfs/dbraw/zinc/60/25/64/701602564.db2.gz ACVVYBIGMXDZBJ-KGLIPLIRSA-N 2 0 334.489 1.613 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639735 701603201 /nfs/dbraw/zinc/60/32/01/701603201.db2.gz XNMSGMFOJSFSMC-QGZVFWFLSA-N 2 0 336.524 1.203 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939547576 699672982 /nfs/dbraw/zinc/67/29/82/699672982.db2.gz XXJROARYLUPNRW-YJBOKZPZSA-N 2 0 343.471 1.211 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(C)n1 ZINC000939544339 699685821 /nfs/dbraw/zinc/68/58/21/699685821.db2.gz JOGIUIBHDDZGIB-RDTXWAMCSA-N 2 0 342.487 1.731 20 0 EDADRP Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC000995166112 701619841 /nfs/dbraw/zinc/61/98/41/701619841.db2.gz GDZCZRCDCYYNAT-AEFFLSMTSA-N 2 0 342.487 1.860 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc2n(n1)CCCC2 ZINC000939753069 699902479 /nfs/dbraw/zinc/90/24/79/699902479.db2.gz DFUABVQTWYKTHH-QAPCUYQASA-N 2 0 345.491 1.252 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c1 ZINC000939757354 699924457 /nfs/dbraw/zinc/92/44/57/699924457.db2.gz XVTLKMMGJRAACT-PBHICJAKSA-N 2 0 332.448 1.123 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000940150280 700261073 /nfs/dbraw/zinc/26/10/73/700261073.db2.gz VEJXUGGDRFQTHE-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940141675 700269178 /nfs/dbraw/zinc/26/91/78/700269178.db2.gz BDLYKCHRLUGMHS-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940148663 700281502 /nfs/dbraw/zinc/28/15/02/700281502.db2.gz CGYIJLPKEZDOTI-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cn(C)nc2C)CC1)[NH+](C)C ZINC000940176272 700308481 /nfs/dbraw/zinc/30/84/81/700308481.db2.gz CFNVMGGPRKVNNE-MRXNPFEDSA-N 2 0 335.496 1.539 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200272 700358428 /nfs/dbraw/zinc/35/84/28/700358428.db2.gz IEZKGJAAXMFBQV-UHFFFAOYSA-N 2 0 345.491 1.519 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995167236 701634554 /nfs/dbraw/zinc/63/45/54/701634554.db2.gz IMUDAZBRUZZYFT-CABCVRRESA-N 2 0 332.448 1.453 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000940296467 700468185 /nfs/dbraw/zinc/46/81/85/700468185.db2.gz LWBMVZMSUMNAOS-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cncc(F)c2)CC1 ZINC000940329495 700508962 /nfs/dbraw/zinc/50/89/62/700508962.db2.gz UQTODALLUILCLW-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940329878 700509395 /nfs/dbraw/zinc/50/93/95/700509395.db2.gz ZDKMFZDIHWQECB-ZBFHGGJFSA-N 2 0 348.491 1.905 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000940425995 700619336 /nfs/dbraw/zinc/61/93/36/700619336.db2.gz BFDDYBAFCWCMDZ-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426289 700620101 /nfs/dbraw/zinc/62/01/01/700620101.db2.gz NQHJHLXCLIVAEQ-CQSZACIVSA-N 2 0 335.452 1.191 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C)([NH2+]CC2CCC2)CC1 ZINC000940462440 700649084 /nfs/dbraw/zinc/64/90/84/700649084.db2.gz SVWDIPUWFTVSNZ-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)nn1C ZINC000940462490 700649422 /nfs/dbraw/zinc/64/94/22/700649422.db2.gz VSXSVOIMSMROBS-UHFFFAOYSA-N 2 0 333.480 1.295 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000940461513 700664554 /nfs/dbraw/zinc/66/45/54/700664554.db2.gz FLBYMTHDBGOMNG-UHFFFAOYSA-N 2 0 331.464 1.352 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940462090 700665959 /nfs/dbraw/zinc/66/59/59/700665959.db2.gz ZZKQLGMKFWQEBS-UHFFFAOYSA-N 2 0 333.480 1.470 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cnns3)C2)CC1 ZINC000995078498 700669832 /nfs/dbraw/zinc/66/98/32/700669832.db2.gz KFBCKDSUEUZAPO-GXTWGEPZSA-N 2 0 337.493 1.254 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082015 700700369 /nfs/dbraw/zinc/70/03/69/700700369.db2.gz WXQXTNDMGPSJLH-WMLDXEAASA-N 2 0 334.464 1.699 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940868280 700949210 /nfs/dbraw/zinc/94/92/10/700949210.db2.gz ZJEKFGLVEVPHKQ-INIZCTEOSA-N 2 0 330.432 1.811 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940943709 701009983 /nfs/dbraw/zinc/00/99/83/701009983.db2.gz NAGSAKXFQOEVQK-HUUCEWRRSA-N 2 0 325.497 1.458 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC000995170765 701686361 /nfs/dbraw/zinc/68/63/61/701686361.db2.gz YPWBHMNHXJVGOY-CVEARBPZSA-N 2 0 343.475 1.255 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027495 701067675 /nfs/dbraw/zinc/06/76/75/701067675.db2.gz GQVYIUIUORBHGW-OAHLLOKOSA-N 2 0 325.497 1.581 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078659 701140322 /nfs/dbraw/zinc/14/03/22/701140322.db2.gz IEEUPMQDUWANFO-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080290 701142574 /nfs/dbraw/zinc/14/25/74/701142574.db2.gz WFMVLQIUNYXJKY-DOTOQJQBSA-N 2 0 339.524 1.970 20 0 EDADRP CCN1CCO[C@@H](C(=O)NCC2C[NH+](CC3CC4(CCC4)C3)C2)C1 ZINC001032197483 701693868 /nfs/dbraw/zinc/69/38/68/701693868.db2.gz LKHYYTLMYUTKFE-QGZVFWFLSA-N 2 0 335.492 1.335 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124522 701182350 /nfs/dbraw/zinc/18/23/50/701182350.db2.gz RGKLFCYPDISXFM-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999171300 706601334 /nfs/dbraw/zinc/60/13/34/706601334.db2.gz VZURBNNYJPYRAY-ROUUACIJSA-N 2 0 346.450 1.643 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3nccs3)C[C@H]2CC1 ZINC000946518541 706604359 /nfs/dbraw/zinc/60/43/59/706604359.db2.gz WETPGSGSROQIPR-OWCLPIDISA-N 2 0 348.516 1.908 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941404364 701518920 /nfs/dbraw/zinc/51/89/20/701518920.db2.gz BFTPJFOSKPTWAD-SFHVURJKSA-N 2 0 336.524 1.344 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941443955 701535718 /nfs/dbraw/zinc/53/57/18/701535718.db2.gz XOSIDFVUBHAQRZ-INIZCTEOSA-N 2 0 340.487 1.049 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](CC(C)C)C3)CC2)C1 ZINC000941432479 701538462 /nfs/dbraw/zinc/53/84/62/701538462.db2.gz ANMJQOHBNTWNOW-KRWDZBQOSA-N 2 0 336.524 1.203 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]CCc3ccns3)C2)CC[N@@H+]1C ZINC000999191513 706634073 /nfs/dbraw/zinc/63/40/73/706634073.db2.gz YUDTYQSFHQKVOX-IJEWVQPXSA-N 2 0 336.505 1.606 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802756 702047195 /nfs/dbraw/zinc/04/71/95/702047195.db2.gz OHLFZUIPBFHTPA-DLBZAZTESA-N 2 0 347.507 1.620 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031978374 702083345 /nfs/dbraw/zinc/08/33/45/702083345.db2.gz SGDBAOXGXXTLBV-KBXCAEBGSA-N 2 0 331.460 1.441 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825107 702095751 /nfs/dbraw/zinc/09/57/51/702095751.db2.gz QUNBILUMLNXJQO-IAGOWNOFSA-N 2 0 345.491 1.089 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3nnc(C)[nH]3)C(C)(C)C2)CC[N@@H+]1C ZINC000995839180 702118357 /nfs/dbraw/zinc/11/83/57/702118357.db2.gz KFBAVBNPLAHOSR-ZNMIVQPWSA-N 2 0 348.495 1.170 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCn2nc(C)cc2C)C1 ZINC001032206341 702140317 /nfs/dbraw/zinc/14/03/17/702140317.db2.gz XRJDTUDCVRAYFR-GOSISDBHSA-N 2 0 347.507 1.422 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H](NCc2nnc(C)[nH]2)C(C)(C)C1 ZINC000995869655 702166685 /nfs/dbraw/zinc/16/66/85/702166685.db2.gz HECMXVXWZWAREA-CABCVRRESA-N 2 0 348.495 1.314 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)ncn1 ZINC000995891893 702191085 /nfs/dbraw/zinc/19/10/85/702191085.db2.gz DXRBIAMTFPNHJE-DLBZAZTESA-N 2 0 345.491 1.452 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)on1 ZINC000995892283 702191801 /nfs/dbraw/zinc/19/18/01/702191801.db2.gz FWHULXZGZVRLIO-HNNXBMFYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cccc(CCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032182366 702196693 /nfs/dbraw/zinc/19/66/93/702196693.db2.gz KYLZQYPDQNBYON-LJQANCHMSA-N 2 0 329.488 1.927 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2cccc(C[NH+](C)C)c2)C1)OC ZINC001032207757 702212311 /nfs/dbraw/zinc/21/23/11/702212311.db2.gz ZJPQYQNHYUQDEA-GOSISDBHSA-N 2 0 333.476 1.835 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]C[C@@H]3CCCCO3)C(C)(C)C2)CCC1 ZINC000995888863 702228421 /nfs/dbraw/zinc/22/84/21/702228421.db2.gz SDYZZNPYIWLXCI-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995917270 702234755 /nfs/dbraw/zinc/23/47/55/702234755.db2.gz UELFMIREMDUMCD-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000995965131 702311193 /nfs/dbraw/zinc/31/11/93/702311193.db2.gz IAAUEPDJBXPHPO-IAGOWNOFSA-N 2 0 349.519 1.726 20 0 EDADRP CC[C@H](C(=O)N1C[C@H](NCc2nccc(C)n2)C(C)(C)C1)[NH+](C)C ZINC000995951957 702314685 /nfs/dbraw/zinc/31/46/85/702314685.db2.gz QUMDTHNYQNPJLZ-CABCVRRESA-N 2 0 333.480 1.452 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995986621 702348316 /nfs/dbraw/zinc/34/83/16/702348316.db2.gz ZCUCWHLDANDCQY-GOEBONIOSA-N 2 0 334.464 1.794 20 0 EDADRP CC1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1NCc1cnon1 ZINC000996006082 702388151 /nfs/dbraw/zinc/38/81/51/702388151.db2.gz IFNLLILRXWOWOF-OAHLLOKOSA-N 2 0 340.387 1.358 20 0 EDADRP CC1(C)CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000996046110 702441144 /nfs/dbraw/zinc/44/11/44/702441144.db2.gz ZQZLUJLOLUKFRR-PBHICJAKSA-N 2 0 342.443 1.811 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H](NCc3cnon3)C(C)(C)C2)CC[N@@H+]1C ZINC000996198212 702624985 /nfs/dbraw/zinc/62/49/85/702624985.db2.gz UFQPPIKPHIICFM-KCQAQPDRSA-N 2 0 335.452 1.127 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC1 ZINC000996221863 702632756 /nfs/dbraw/zinc/63/27/56/702632756.db2.gz KFGQFDAMCLKHOE-MRXNPFEDSA-N 2 0 333.480 1.052 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208156 702670403 /nfs/dbraw/zinc/67/04/03/702670403.db2.gz GSVXZPVWLFUBLO-JKSUJKDBSA-N 2 0 348.495 1.329 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1 ZINC000996302592 702694863 /nfs/dbraw/zinc/69/48/63/702694863.db2.gz XPABTAHEDALOID-DOTOQJQBSA-N 2 0 347.507 1.274 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@H](NCc3ncccn3)C(C)(C)C2)C1 ZINC000996312135 702701012 /nfs/dbraw/zinc/70/10/12/702701012.db2.gz WQYYDQALVWBWAU-HNNXBMFYSA-N 2 0 345.491 1.535 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)[NH+](C)C ZINC000996313904 702702412 /nfs/dbraw/zinc/70/24/12/702702412.db2.gz GKJYWQTVXQKSSY-STQMWFEESA-N 2 0 325.482 1.205 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384576 702748971 /nfs/dbraw/zinc/74/89/71/702748971.db2.gz ANDWDWIGSFHPSC-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000995219530 702761295 /nfs/dbraw/zinc/76/12/95/702761295.db2.gz ZBWNLCGUTUMQDC-UKRRQHHQSA-N 2 0 346.479 1.152 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996463427 702790903 /nfs/dbraw/zinc/79/09/03/702790903.db2.gz GPSRDJGJOLQFGN-AWEZNQCLSA-N 2 0 337.493 1.492 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)nc1 ZINC000996465600 702792781 /nfs/dbraw/zinc/79/27/81/702792781.db2.gz XHXLGDAVZBUQES-KRWDZBQOSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996515269 702850941 /nfs/dbraw/zinc/85/09/41/702850941.db2.gz PRGWBCDMZMAACH-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996518562 702854321 /nfs/dbraw/zinc/85/43/21/702854321.db2.gz KWEYAKHSJWVSJW-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000996561497 702875655 /nfs/dbraw/zinc/87/56/55/702875655.db2.gz PTNFQPXFJLDLNR-LRDDRELGSA-N 2 0 346.479 1.097 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562759 702876835 /nfs/dbraw/zinc/87/68/35/702876835.db2.gz WYLHNLSLGBMDSL-KRWDZBQOSA-N 2 0 343.475 1.207 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000996602774 702903391 /nfs/dbraw/zinc/90/33/91/702903391.db2.gz GHBDBOWZXVSQKH-ZWKOTPCHSA-N 2 0 347.507 1.274 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ncc(C)cn3)CC2)CC[N@@H+]1C ZINC000996601914 702908869 /nfs/dbraw/zinc/90/88/69/702908869.db2.gz BKFPHHAJEUXOFL-DLBZAZTESA-N 2 0 345.491 1.596 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000996607363 702910591 /nfs/dbraw/zinc/91/05/91/702910591.db2.gz NRSHEVUFOBFQMD-RDTXWAMCSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996612418 702917596 /nfs/dbraw/zinc/91/75/96/702917596.db2.gz QVYMDDPYGRAZGR-MRXNPFEDSA-N 2 0 331.464 1.207 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996664194 702961497 /nfs/dbraw/zinc/96/14/97/702961497.db2.gz GPJOCGYZKBPOTI-UHFFFAOYSA-N 2 0 334.464 1.802 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)C1CCC1 ZINC000996665460 702967805 /nfs/dbraw/zinc/96/78/05/702967805.db2.gz MBODIZSGYPKOCG-UHFFFAOYSA-N 2 0 345.487 1.744 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)oc1C ZINC000996670317 702971708 /nfs/dbraw/zinc/97/17/08/702971708.db2.gz JJWCZYDNWZRHTM-UHFFFAOYSA-N 2 0 334.464 1.856 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000996680704 702978976 /nfs/dbraw/zinc/97/89/76/702978976.db2.gz UHDITHVWHZZNFI-MRXNPFEDSA-N 2 0 348.495 1.349 20 0 EDADRP Cn1nccc1CC[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996691108 702988434 /nfs/dbraw/zinc/98/84/34/702988434.db2.gz SDRIZZUAYHIJBZ-KRWDZBQOSA-N 2 0 347.507 1.418 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996749136 703034482 /nfs/dbraw/zinc/03/44/82/703034482.db2.gz QLQXGZPKQFKDPO-QGZVFWFLSA-N 2 0 334.464 1.876 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996769620 703060939 /nfs/dbraw/zinc/06/09/39/703060939.db2.gz HVYYEJWWURDQKQ-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)ncn1 ZINC000996867191 703140009 /nfs/dbraw/zinc/14/00/09/703140009.db2.gz DHNSCHCVHIQOQG-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000996903009 703177566 /nfs/dbraw/zinc/17/75/66/703177566.db2.gz GKARPDCYRUGSDJ-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nncn3C)CC2)C1 ZINC000996904044 703178554 /nfs/dbraw/zinc/17/85/54/703178554.db2.gz LYSHAPVRFLDZJR-OAHLLOKOSA-N 2 0 348.495 1.018 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)ccn1 ZINC000996947510 703217197 /nfs/dbraw/zinc/21/71/97/703217197.db2.gz UCWFZOCJVWTZQP-UHFFFAOYSA-N 2 0 346.475 1.513 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000996959354 703229900 /nfs/dbraw/zinc/22/99/00/703229900.db2.gz ABZBIKKSOYPHRV-MRXNPFEDSA-N 2 0 348.495 1.349 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CCc2ccns2)CC1)[NH+](C)C ZINC000996963683 703232544 /nfs/dbraw/zinc/23/25/44/703232544.db2.gz HVZCDVLXYWLVEQ-MRXNPFEDSA-N 2 0 338.521 1.852 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1)[NH+](C)C ZINC000996964436 703232978 /nfs/dbraw/zinc/23/29/78/703232978.db2.gz KQZNDWAUDHZZGK-DOTOQJQBSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000996995177 703251695 /nfs/dbraw/zinc/25/16/95/703251695.db2.gz LWOPSUWFQJXNHD-CQSZACIVSA-N 2 0 348.495 1.493 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000997002559 703259190 /nfs/dbraw/zinc/25/91/90/703259190.db2.gz XBPCPISFINTWNH-HJOIGYKYSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000997007714 703264769 /nfs/dbraw/zinc/26/47/69/703264769.db2.gz JJBGYONHFDIRKA-QAPCUYQASA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997007323 703264820 /nfs/dbraw/zinc/26/48/20/703264820.db2.gz QCFDTBAIHRJERL-ZDUSSCGKSA-N 2 0 329.435 1.954 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000997009153 703269542 /nfs/dbraw/zinc/26/95/42/703269542.db2.gz YNNDULNUKGOGPF-DYVFJYSZSA-N 2 0 329.460 1.160 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC1 ZINC000997056147 703301698 /nfs/dbraw/zinc/30/16/98/703301698.db2.gz BAFMBKHQCNUWSK-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997061983 703313105 /nfs/dbraw/zinc/31/31/05/703313105.db2.gz KRSBSNQMVCNCHZ-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821158 703329313 /nfs/dbraw/zinc/32/93/13/703329313.db2.gz CKOXBUMJEKEUSS-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC000997116028 703370220 /nfs/dbraw/zinc/37/02/20/703370220.db2.gz RNBGNEORYQYRDT-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053106 703402365 /nfs/dbraw/zinc/40/23/65/703402365.db2.gz ORFUKDBAMIAXIU-DNVCBOLYSA-N 2 0 345.487 1.977 20 0 EDADRP Cn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)n1 ZINC000997180367 703470630 /nfs/dbraw/zinc/47/06/30/703470630.db2.gz QBAXJPTXQFKFMW-WMLDXEAASA-N 2 0 348.495 1.016 20 0 EDADRP O=C(N1CCC([NH2+]CCc2cccs2)CC1)C12CC[NH+](CC1)C2 ZINC000997187495 703477237 /nfs/dbraw/zinc/47/72/37/703477237.db2.gz NYEWKADUHOEDHJ-UHFFFAOYSA-N 2 0 333.501 1.967 20 0 EDADRP CN(C)c1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997300411 703543891 /nfs/dbraw/zinc/54/38/91/703543891.db2.gz UKVVJENTACDLKR-QGZVFWFLSA-N 2 0 344.503 1.785 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997301794 703544893 /nfs/dbraw/zinc/54/48/93/703544893.db2.gz GVJZPXGIEXKVTO-GJZGRUSLSA-N 2 0 331.464 1.378 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000997366650 703600520 /nfs/dbraw/zinc/60/05/20/703600520.db2.gz IPYAZDYRIISBOY-BBRMVZONSA-N 2 0 348.495 1.629 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC1 ZINC001032444013 703621119 /nfs/dbraw/zinc/62/11/19/703621119.db2.gz HOHWQBQLNPJTMI-OKZBNKHCSA-N 2 0 333.476 1.325 20 0 EDADRP CC[C@@H](CN1CC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001042901147 703737014 /nfs/dbraw/zinc/73/70/14/703737014.db2.gz XYAYDAPUZCJMRG-WBVHZDCISA-N 2 0 325.497 1.532 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1)C12CCC[NH+]1CCC2 ZINC001032498489 703797496 /nfs/dbraw/zinc/79/74/96/703797496.db2.gz XAGWIFRKYQXWBA-ROUUACIJSA-N 2 0 347.503 1.717 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997615736 703914866 /nfs/dbraw/zinc/91/48/66/703914866.db2.gz WSYHMEBZHLMPCA-GDBMZVCRSA-N 2 0 334.464 1.966 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nnc(C)[nH]3)C2)C1 ZINC000999286552 706779664 /nfs/dbraw/zinc/77/96/64/706779664.db2.gz AEQCWLJHMPPQEO-QQFBHYJXSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081739 704137600 /nfs/dbraw/zinc/13/76/00/704137600.db2.gz NSPMQNOFEKDJHN-ROUUACIJSA-N 2 0 345.491 1.103 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033081944 704137938 /nfs/dbraw/zinc/13/79/38/704137938.db2.gz LTDOAZCNXDAJBO-WMZOPIPTSA-N 2 0 337.508 1.961 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCO2)CC1 ZINC001032710445 706793253 /nfs/dbraw/zinc/79/32/53/706793253.db2.gz AHPYFDMAOSZSDV-GBESFXJTSA-N 2 0 349.519 1.961 20 0 EDADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084713 704154925 /nfs/dbraw/zinc/15/49/25/704154925.db2.gz KKANFESLCSOYLT-HZPDHXFCSA-N 2 0 335.496 1.637 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@H]2CC[NH+](CCOc3ccccc3)C2)CC[N@@H+]1C ZINC001033093182 704169977 /nfs/dbraw/zinc/16/99/77/704169977.db2.gz XRKCMQKBSSMUAH-ZIFCJYIRSA-N 2 0 345.487 1.938 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CC[C@H]2C[N@H+](CCCF)C[C@H]2CC1 ZINC000946592349 704242823 /nfs/dbraw/zinc/24/28/23/704242823.db2.gz IPXJGAVVBXRAFI-FGTMMUONSA-N 2 0 337.483 1.858 20 0 EDADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946597753 704294236 /nfs/dbraw/zinc/29/42/36/704294236.db2.gz IQFYQXJETICEBG-ZSYWTGECSA-N 2 0 349.519 1.676 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999306682 706811604 /nfs/dbraw/zinc/81/16/04/706811604.db2.gz LDHNNVIZAKCBFY-SJORKVTESA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000922851906 704438645 /nfs/dbraw/zinc/43/86/45/704438645.db2.gz CHQGMEYZFNBOHW-OWCLPIDISA-N 2 0 340.537 1.597 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)[NH+](C)C ZINC001004462073 704455563 /nfs/dbraw/zinc/45/55/63/704455563.db2.gz CUCJIYTYASORBB-ROUUACIJSA-N 2 0 339.524 1.658 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCO ZINC001032539914 704594611 /nfs/dbraw/zinc/59/46/11/704594611.db2.gz JQQBPHPACJWFRC-IRXDYDNUSA-N 2 0 331.460 1.072 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997733736 704632757 /nfs/dbraw/zinc/63/27/57/704632757.db2.gz CNQWJTVPQPMBGW-KBPBESRZSA-N 2 0 337.464 1.552 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000947936661 704668040 /nfs/dbraw/zinc/66/80/40/704668040.db2.gz XLJDWAITWXJAPU-CZUORRHYSA-N 2 0 346.475 1.856 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1nncn1C ZINC000997824131 704743392 /nfs/dbraw/zinc/74/33/92/704743392.db2.gz QMDFHEGDNNPDKY-AWEZNQCLSA-N 2 0 348.495 1.189 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000997830353 704749043 /nfs/dbraw/zinc/74/90/43/704749043.db2.gz IRDDLYXPELDAPH-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997832109 704750365 /nfs/dbraw/zinc/75/03/65/704750365.db2.gz YZRZTSUTBPDNID-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000997836287 704753732 /nfs/dbraw/zinc/75/37/32/704753732.db2.gz HZOUJAOVDMYLFX-IRXDYDNUSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000997839428 704754687 /nfs/dbraw/zinc/75/46/87/704754687.db2.gz FPNHIJMZOMMOMX-KRWDZBQOSA-N 2 0 336.480 1.897 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000997854221 704766369 /nfs/dbraw/zinc/76/63/69/704766369.db2.gz AIXUVMWQBSJXBW-DZGCQCFKSA-N 2 0 336.484 1.045 20 0 EDADRP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1COCCN1C1CCCC1 ZINC001032585427 705062211 /nfs/dbraw/zinc/06/22/11/705062211.db2.gz IGODZDXZBLDBIQ-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](CC(C)C)C1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998024636 705209647 /nfs/dbraw/zinc/20/96/47/705209647.db2.gz ZAXVHNPCYPSLAE-MSOLQXFVSA-N 2 0 339.524 1.660 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000998032321 705218205 /nfs/dbraw/zinc/21/82/05/705218205.db2.gz RRNNBQQBBNVPAG-AWEZNQCLSA-N 2 0 348.495 1.046 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000998046539 705242739 /nfs/dbraw/zinc/24/27/39/705242739.db2.gz JLPXILNWZGCUGU-QGZVFWFLSA-N 2 0 336.480 1.897 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998078818 705291824 /nfs/dbraw/zinc/29/18/24/705291824.db2.gz MOAWWGAIGSUYID-XJKSGUPXSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076724 705296863 /nfs/dbraw/zinc/29/68/63/705296863.db2.gz CRZIHWLNVPBBPO-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000998082120 705308675 /nfs/dbraw/zinc/30/86/75/705308675.db2.gz NPFYIXHRZRHURE-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998083018 705311142 /nfs/dbraw/zinc/31/11/42/705311142.db2.gz STICFFFLDOOQMV-MRXNPFEDSA-N 2 0 347.507 1.573 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000998191115 705499637 /nfs/dbraw/zinc/49/96/37/705499637.db2.gz SOVHJYFTRVZOSR-QZTJIDSGSA-N 2 0 347.507 1.575 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000998224299 705553072 /nfs/dbraw/zinc/55/30/72/705553072.db2.gz YQCLTGUZLHHZRF-WMZOPIPTSA-N 2 0 349.519 1.726 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998274826 705657789 /nfs/dbraw/zinc/65/77/89/705657789.db2.gz WDLMLUIXRLSFKD-MRXNPFEDSA-N 2 0 333.480 1.183 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998284360 705678742 /nfs/dbraw/zinc/67/87/42/705678742.db2.gz BHINZMDQKUHSJH-KRWDZBQOSA-N 2 0 345.491 1.679 20 0 EDADRP Cn1ncc(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000998288953 705689747 /nfs/dbraw/zinc/68/97/47/705689747.db2.gz YPMWJJGCTVSSJO-UHFFFAOYSA-N 2 0 348.495 1.019 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998548287 705983427 /nfs/dbraw/zinc/98/34/27/705983427.db2.gz FZOOHRYWHFDPGT-YMAMQOFZSA-N 2 0 339.871 1.210 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC(NCc2nc(C(C)(C)C)no2)C1 ZINC000998549186 705985177 /nfs/dbraw/zinc/98/51/77/705985177.db2.gz KQTPFDBQKMZQAY-RUXDESIVSA-N 2 0 349.479 1.540 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998552912 705990419 /nfs/dbraw/zinc/99/04/19/705990419.db2.gz UQBUOGHNRIEKCS-JCYILVPMSA-N 2 0 347.507 1.811 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000998725732 706160696 /nfs/dbraw/zinc/16/06/96/706160696.db2.gz XWNJNVRRBAWXOT-CVEARBPZSA-N 2 0 332.448 1.265 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000998732357 706165337 /nfs/dbraw/zinc/16/53/37/706165337.db2.gz RSAVQSWPUDFNEZ-SJORKVTESA-N 2 0 333.480 1.175 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(CC)n2)C1 ZINC000998866577 706296428 /nfs/dbraw/zinc/29/64/28/706296428.db2.gz LUOXPNPJGPOGAU-DAWZGUTISA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC(NCc3cnon3)C2)C1 ZINC000998902047 706338509 /nfs/dbraw/zinc/33/85/09/706338509.db2.gz RJMPKLPFNQZAKQ-HLIUYOAVSA-N 2 0 335.452 1.127 20 0 EDADRP CN(C(=O)[C@@H]1CCn2cncc2C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999003058 706442267 /nfs/dbraw/zinc/44/22/67/706442267.db2.gz CCYUNNFLXSAIPT-KLAILNCOSA-N 2 0 339.443 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999147004 706560719 /nfs/dbraw/zinc/56/07/19/706560719.db2.gz ZKKAKSITEQOZRX-FUHWJXTLSA-N 2 0 347.507 1.416 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999318734 706818279 /nfs/dbraw/zinc/81/82/79/706818279.db2.gz NCVUYBMZVCPCEF-UHFFFAOYSA-N 2 0 345.447 1.468 20 0 EDADRP CC[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000999152116 706580521 /nfs/dbraw/zinc/58/05/21/706580521.db2.gz IKFXXHLWMPOLRS-HUUCEWRRSA-N 2 0 338.496 1.095 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999343673 706855168 /nfs/dbraw/zinc/85/51/68/706855168.db2.gz QQTWGPWUIPZZHC-UHFFFAOYSA-N 2 0 348.495 1.027 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365649 706879522 /nfs/dbraw/zinc/87/95/22/706879522.db2.gz QOLKXRRXVSCDQB-HNNXBMFYSA-N 2 0 348.495 1.171 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999371839 706885977 /nfs/dbraw/zinc/88/59/77/706885977.db2.gz NBBGBGBCQSMQJA-QZTJIDSGSA-N 2 0 347.507 1.885 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)o1 ZINC000999406878 706916657 /nfs/dbraw/zinc/91/66/57/706916657.db2.gz BCTPDROPNFIPCJ-JEYLPNPQSA-N 2 0 348.491 1.966 20 0 EDADRP CN(C(=O)Cc1cnc[nH]1)C1CC([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000999473575 706982604 /nfs/dbraw/zinc/98/26/04/706982604.db2.gz PFFLYAIAAUTHTM-UHFFFAOYSA-N 2 0 342.447 1.264 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C(C)C)n2)C1)[NH+](C)C ZINC000999491868 707028006 /nfs/dbraw/zinc/02/80/06/707028006.db2.gz XPWYYIZBBKRTJF-IAGOWNOFSA-N 2 0 335.496 1.885 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(Cl)c(C)nn2C)CC1 ZINC000921684404 707029769 /nfs/dbraw/zinc/02/97/69/707029769.db2.gz ABXSFLSCGFAPFV-CYBMUJFWSA-N 2 0 327.904 1.745 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999597981 707100533 /nfs/dbraw/zinc/10/05/33/707100533.db2.gz TZMBRNMGHFQWSJ-INIZCTEOSA-N 2 0 345.491 1.172 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999623076 707145143 /nfs/dbraw/zinc/14/51/43/707145143.db2.gz VGDRLMCFZVEAGO-DOTOQJQBSA-N 2 0 342.443 1.955 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000999700842 707231017 /nfs/dbraw/zinc/23/10/17/707231017.db2.gz ZOZCETGZULYXHL-HSBZDZAISA-N 2 0 346.479 1.103 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cs1 ZINC000999689895 707246207 /nfs/dbraw/zinc/24/62/07/707246207.db2.gz SNPBARBPTNMUDY-VQCLRJIVSA-N 2 0 336.505 1.872 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999706438 707297151 /nfs/dbraw/zinc/29/71/51/707297151.db2.gz KEHHRGLJZBZTSL-GOEBONIOSA-N 2 0 328.416 1.565 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)cn1 ZINC000999791872 707363081 /nfs/dbraw/zinc/36/30/81/707363081.db2.gz LGFOBWMEXDELIQ-QZTJIDSGSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033320660 707501854 /nfs/dbraw/zinc/50/18/54/707501854.db2.gz VOJZEIILKXKOTQ-MRXNPFEDSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000018243 707644158 /nfs/dbraw/zinc/64/41/58/707644158.db2.gz CEOYSWCISCNLHC-XIRDDKMYSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001000018241 707644456 /nfs/dbraw/zinc/64/44/56/707644456.db2.gz CEOYSWCISCNLHC-BHYGNILZSA-N 2 0 345.491 1.596 20 0 EDADRP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCOC1 ZINC001032725354 707711693 /nfs/dbraw/zinc/71/16/93/707711693.db2.gz RFAVSCLXOGJXOP-NEWSRXKRSA-N 2 0 347.503 1.430 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033395847 707734038 /nfs/dbraw/zinc/73/40/38/707734038.db2.gz KRFCIRVYJQHAJJ-RTBURBONSA-N 2 0 345.487 1.595 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001033389635 707760824 /nfs/dbraw/zinc/76/08/24/707760824.db2.gz DZAUGCLGUPAYBC-GOSISDBHSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001033419329 707778108 /nfs/dbraw/zinc/77/81/08/707778108.db2.gz IIDRBIBYFPYMHP-VQIMIIECSA-N 2 0 345.487 1.553 20 0 EDADRP CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001004980609 707823491 /nfs/dbraw/zinc/82/34/91/707823491.db2.gz ALEVAKDULKBJEK-NVXWUHKLSA-N 2 0 325.497 1.865 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@@H]3C)C2)cn1 ZINC001033423446 707839824 /nfs/dbraw/zinc/83/98/24/707839824.db2.gz NBLFQVYGSYDPBO-FUHWJXTLSA-N 2 0 347.507 1.463 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033227237 707842185 /nfs/dbraw/zinc/84/21/85/707842185.db2.gz BZLAQYZVAMHBKD-MRXNPFEDSA-N 2 0 331.464 1.044 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033426749 707849095 /nfs/dbraw/zinc/84/90/95/707849095.db2.gz UMVUKDCXPZPDPK-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982085 707860702 /nfs/dbraw/zinc/86/07/02/707860702.db2.gz OSSZDNIJGPCJLL-WMLDXEAASA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)on1 ZINC001004994111 707878896 /nfs/dbraw/zinc/87/88/96/707878896.db2.gz UIJSLIWYFFABJP-NVXWUHKLSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004994521 707881009 /nfs/dbraw/zinc/88/10/09/707881009.db2.gz VGEQJOUYFDGIIF-DOTOQJQBSA-N 2 0 333.480 1.375 20 0 EDADRP O=C(Cc1ncc[nH]1)N1CCC[C@H]([NH2+]C[C@H](O)c2ccc(F)cc2)C1 ZINC001000545526 708049446 /nfs/dbraw/zinc/04/94/46/708049446.db2.gz NHLRQULCTGBFQZ-HOTGVXAUSA-N 2 0 346.406 1.406 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@@]2(C1)CCC[N@H+](C[C@@H]1CCCOC1)C2 ZINC001040532716 708112245 /nfs/dbraw/zinc/11/22/45/708112245.db2.gz ZLNVHVIDEUBSQR-ICSRJNTNSA-N 2 0 349.519 1.823 20 0 EDADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033575348 708249656 /nfs/dbraw/zinc/24/96/56/708249656.db2.gz QVOKJKRTFHTQII-HKUYNNGSSA-N 2 0 349.519 1.678 20 0 EDADRP Cc1cc(CN2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001001835495 708339843 /nfs/dbraw/zinc/33/98/43/708339843.db2.gz WXPOJPVWCXCJEN-RDTXWAMCSA-N 2 0 347.507 1.254 20 0 EDADRP CN(C)c1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033666091 708450287 /nfs/dbraw/zinc/45/02/87/708450287.db2.gz UOKKGMCDSBQYFN-SJORKVTESA-N 2 0 345.491 1.132 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001002052969 708584845 /nfs/dbraw/zinc/58/48/45/708584845.db2.gz PGGYCEHKVXKKQM-FXAWDEMLSA-N 2 0 347.503 1.337 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]2C)o1 ZINC001054854212 708738239 /nfs/dbraw/zinc/73/82/39/708738239.db2.gz QHMKQBMBZAOOLV-BBRMVZONSA-N 2 0 332.448 1.548 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005383344 708817226 /nfs/dbraw/zinc/81/72/26/708817226.db2.gz FQJGYFAIEMFSPY-WBVHZDCISA-N 2 0 325.497 1.817 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005493484 709215707 /nfs/dbraw/zinc/21/57/07/709215707.db2.gz RZPOZQOMWUOQRR-SJORKVTESA-N 2 0 339.524 1.922 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001034015482 709232373 /nfs/dbraw/zinc/23/23/73/709232373.db2.gz HLNWEQRKRPCYKW-SJORKVTESA-N 2 0 335.492 1.432 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC001005498229 709255833 /nfs/dbraw/zinc/25/58/33/709255833.db2.gz PSSWVPIDGZQXEL-GOSISDBHSA-N 2 0 337.508 1.961 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001034037667 709269303 /nfs/dbraw/zinc/26/93/03/709269303.db2.gz DHIBVVWMKGHBMB-CABCVRRESA-N 2 0 336.505 1.560 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001034043882 709295294 /nfs/dbraw/zinc/29/52/94/709295294.db2.gz XUVDTXFRNQTWPT-DOTOQJQBSA-N 2 0 333.480 1.103 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@]2(C)C1)C1CC1 ZINC000702123276 709336318 /nfs/dbraw/zinc/33/63/18/709336318.db2.gz PIZQQNHIRQFPLA-SESVDKBCSA-N 2 0 343.515 1.895 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002790945 709398498 /nfs/dbraw/zinc/39/84/98/709398498.db2.gz CSWVKEANZLDPML-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cn1 ZINC001002801546 709415696 /nfs/dbraw/zinc/41/56/96/709415696.db2.gz JIWNGYQTISPDJG-FUHWJXTLSA-N 2 0 345.491 1.375 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034202723 709524435 /nfs/dbraw/zinc/52/44/35/709524435.db2.gz ANHMJXJAKQLUIR-DLBZAZTESA-N 2 0 348.495 1.122 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)n1 ZINC001034210514 709560638 /nfs/dbraw/zinc/56/06/38/709560638.db2.gz PLLPVULMCDVURT-MRXNPFEDSA-N 2 0 333.480 1.439 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)CC[N@@H+]1C ZINC001034217813 709573938 /nfs/dbraw/zinc/57/39/38/709573938.db2.gz VJKVECOGBYYGQB-OKZBNKHCSA-N 2 0 347.507 1.584 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](CC(C)C)C2)C1 ZINC001034239063 709620456 /nfs/dbraw/zinc/62/04/56/709620456.db2.gz QYOYTNBVJPYTMP-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002994406 709742367 /nfs/dbraw/zinc/74/23/67/709742367.db2.gz HGTQZOSGJQMCKJ-JKSUJKDBSA-N 2 0 325.497 1.580 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321058 709771009 /nfs/dbraw/zinc/77/10/09/709771009.db2.gz PZMXCAJJOGXCAW-VIHIWDAPSA-N 2 0 333.476 1.230 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011143 709783149 /nfs/dbraw/zinc/78/31/49/709783149.db2.gz MNENZOYSAPZGQI-WBVHZDCISA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003009803 709797289 /nfs/dbraw/zinc/79/72/89/709797289.db2.gz BQBSLLUBFKCJEF-GOSISDBHSA-N 2 0 347.507 1.764 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001003147616 710046194 /nfs/dbraw/zinc/04/61/94/710046194.db2.gz WWATZSPNCBHJLG-QZTJIDSGSA-N 2 0 345.491 1.481 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)o1 ZINC001034606778 710269896 /nfs/dbraw/zinc/26/98/96/710269896.db2.gz CYGOIBIAFYZSTP-BZUAXINKSA-N 2 0 334.464 1.903 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001003634768 710462544 /nfs/dbraw/zinc/46/25/44/710462544.db2.gz LYFWIKLLUFAONO-BBRMVZONSA-N 2 0 348.491 1.824 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003799324 710567461 /nfs/dbraw/zinc/56/74/61/710567461.db2.gz DPZKVWYMYHJSQD-OAHLLOKOSA-N 2 0 333.476 1.977 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034671970 710615389 /nfs/dbraw/zinc/61/53/89/710615389.db2.gz FVOZWRGZUDBCBJ-BRWVUGGUSA-N 2 0 334.464 1.984 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001034675604 710631540 /nfs/dbraw/zinc/63/15/40/710631540.db2.gz QSDGTXODJADQQZ-NXNVCVFFSA-N 2 0 347.463 1.604 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005592449 710639405 /nfs/dbraw/zinc/63/94/05/710639405.db2.gz MNFQXXXZJAAWCQ-WMZOPIPTSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)CC2)[nH]1 ZINC001034704888 710816391 /nfs/dbraw/zinc/81/63/91/710816391.db2.gz YPXZKZMOIJMHJX-SHTZXODSSA-N 2 0 348.495 1.505 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005661956 710874104 /nfs/dbraw/zinc/87/41/04/710874104.db2.gz CRWINXPYQQIOCN-QGZVFWFLSA-N 2 0 349.519 1.964 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001034722078 710889146 /nfs/dbraw/zinc/88/91/46/710889146.db2.gz VVLNBYALTHYLGE-DAXOMENPSA-N 2 0 349.479 1.798 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737233 710949175 /nfs/dbraw/zinc/94/91/75/710949175.db2.gz HRIBHXCJRXOUBG-DDBAPUKQSA-N 2 0 337.508 1.628 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034738279 710953364 /nfs/dbraw/zinc/95/33/64/710953364.db2.gz SKWVGJACNLQGAW-RGCMKSIDSA-N 2 0 337.493 1.253 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001032958846 710980755 /nfs/dbraw/zinc/98/07/55/710980755.db2.gz BQIFOIOZSBUCDQ-SJLPKXTDSA-N 2 0 333.451 1.995 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](NCc3cnsn3)CC2)C1 ZINC001034775475 711048703 /nfs/dbraw/zinc/04/87/03/711048703.db2.gz ANDNULNUYYEVEN-IHRRRGAJSA-N 2 0 337.493 1.397 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)CC2)C1 ZINC001034775836 711050164 /nfs/dbraw/zinc/05/01/64/711050164.db2.gz KEAURGCMPQZBGY-BRSBDYLESA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797140 711130838 /nfs/dbraw/zinc/13/08/38/711130838.db2.gz WVEMUAJIIAUELC-QAETUUGQSA-N 2 0 347.507 1.810 20 0 EDADRP Cc1nsc(C)c1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003974975 711134833 /nfs/dbraw/zinc/13/48/33/711134833.db2.gz PLFROJJQWSMIEH-UHFFFAOYSA-N 2 0 348.516 1.936 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034942309 711395065 /nfs/dbraw/zinc/39/50/65/711395065.db2.gz UAXUIMWENWIXQX-SJORKVTESA-N 2 0 332.448 1.405 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)ccn1 ZINC001034959460 711434291 /nfs/dbraw/zinc/43/42/91/711434291.db2.gz ZAAWJJLALJEDQA-AEFFLSMTSA-N 2 0 346.475 1.511 20 0 EDADRP CCc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940065 711443350 /nfs/dbraw/zinc/44/33/50/711443350.db2.gz VPOCHGLXDLHDIF-FVQBIDKESA-N 2 0 348.491 1.966 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[C@H]1C(C)C ZINC000922391991 711457036 /nfs/dbraw/zinc/45/70/36/711457036.db2.gz IXWKPMBGFNZDKC-MLYOOKFZSA-N 2 0 345.487 1.745 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922516636 711635858 /nfs/dbraw/zinc/63/58/58/711635858.db2.gz SQRWWJYSFUMIJN-BZUAXINKSA-N 2 0 342.553 1.986 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127302 711877574 /nfs/dbraw/zinc/87/75/74/711877574.db2.gz UOEQEAWGHQOGJM-ZWKOTPCHSA-N 2 0 347.507 1.370 20 0 EDADRP O=C(N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1)C12CCC[NH+](CCC1)C2 ZINC000946638552 712107020 /nfs/dbraw/zinc/10/70/20/712107020.db2.gz QFQNKFLSSGKGDO-HDICACEKSA-N 2 0 349.519 1.415 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662974 712291786 /nfs/dbraw/zinc/29/17/86/712291786.db2.gz TZZBPRGRPQFQML-YESZJQIVSA-N 2 0 335.492 1.166 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000136863319 282109770 /nfs/dbraw/zinc/10/97/70/282109770.db2.gz CIPWDVRLLMCTQV-INIZCTEOSA-N 2 0 332.448 1.332 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000417204074 282130990 /nfs/dbraw/zinc/13/09/90/282130990.db2.gz ZRFSTDLGTCGSGH-OKZBNKHCSA-N 2 0 332.492 1.976 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000332409764 282183772 /nfs/dbraw/zinc/18/37/72/282183772.db2.gz QRPWMLGKLFHGGJ-IKGGRYGDSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000433124570 305101155 /nfs/dbraw/zinc/10/11/55/305101155.db2.gz DJKKOWNKHUBFIL-MRXNPFEDSA-N 2 0 325.497 1.616 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440990672 539332261 /nfs/dbraw/zinc/33/22/61/539332261.db2.gz WRCCVDZJEOHFSH-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP C[N@H+](CCNC(=O)NCC[NH+]1CCCOCC1)Cc1ccccc1 ZINC000187027263 529914281 /nfs/dbraw/zinc/91/42/81/529914281.db2.gz PDVSFXCXQACWAC-UHFFFAOYSA-N 2 0 334.464 1.140 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000154215347 539555138 /nfs/dbraw/zinc/55/51/38/539555138.db2.gz FHHNZCNRKMTMEV-MRXNPFEDSA-N 2 0 343.479 1.341 20 0 EDADRP CC(C)[NH+]1CCN(c2nccnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC000097234731 539568184 /nfs/dbraw/zinc/56/81/84/539568184.db2.gz BPHMEAWQQVBRNL-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP Cc1nccn1-c1ccc(C[NH2+]C[C@@H](O)CN2CCOCC2)cc1F ZINC000560856960 306280585 /nfs/dbraw/zinc/28/05/85/306280585.db2.gz CNGWSSVLDYSIOE-MRXNPFEDSA-N 2 0 348.422 1.103 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1C[NH2+]CCO1 ZINC000561145625 306282695 /nfs/dbraw/zinc/28/26/95/306282695.db2.gz ZTQYSKKREHDSSY-QGZVFWFLSA-N 2 0 332.448 1.070 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NCCCC[NH+]2CCOCC2)cc1 ZINC000561155430 306282986 /nfs/dbraw/zinc/28/29/86/306282986.db2.gz IEFDXIVFSFSVLM-UHFFFAOYSA-N 2 0 333.476 1.633 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000561155588 306283077 /nfs/dbraw/zinc/28/30/77/306283077.db2.gz DFDRXIYVQQSLTI-RDJZCZTQSA-N 2 0 333.480 1.012 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000561176986 306283857 /nfs/dbraw/zinc/28/38/57/306283857.db2.gz HHSCVKBFSQHNFO-BHYGNILZSA-N 2 0 334.464 1.312 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000103500560 219308106 /nfs/dbraw/zinc/30/81/06/219308106.db2.gz XKVKZLZRKOVMMC-INIZCTEOSA-N 2 0 333.407 1.731 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000342972923 539768437 /nfs/dbraw/zinc/76/84/37/539768437.db2.gz ADAKSSNILLLRIA-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP CSC1(CNC(=O)CCN(C)c2cc[nH+]cc2)CC[NH+](C)CC1 ZINC000562371489 306296757 /nfs/dbraw/zinc/29/67/57/306296757.db2.gz QGFKJFHSNJDBIY-UHFFFAOYSA-N 2 0 336.505 1.852 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000563145520 306320205 /nfs/dbraw/zinc/32/02/05/306320205.db2.gz XUNYIQOQBRZYMG-OFQRWUPVSA-N 2 0 338.496 1.142 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487583002 540025375 /nfs/dbraw/zinc/02/53/75/540025375.db2.gz HZDMVVXFPJMAFW-XIRDDKMYSA-N 2 0 340.512 1.394 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000563272149 306325779 /nfs/dbraw/zinc/32/57/79/306325779.db2.gz LAIVFHXKQRSYRW-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP Cn1cncc1CNC(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000290417166 540089602 /nfs/dbraw/zinc/08/96/02/540089602.db2.gz NGWUAKGXFYLEJI-UHFFFAOYSA-N 2 0 343.431 1.617 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423321552 295907052 /nfs/dbraw/zinc/90/70/52/295907052.db2.gz GKMYIHWAPAIXQG-LSDHHAIUSA-N 2 0 333.480 1.491 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000072860921 138211142 /nfs/dbraw/zinc/21/11/42/138211142.db2.gz TWGVINAXQHVDGR-AWEZNQCLSA-N 2 0 332.448 1.388 20 0 EDADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000077803719 138255153 /nfs/dbraw/zinc/25/51/53/138255153.db2.gz DBNAZVUVUYDTKR-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000563559294 306338843 /nfs/dbraw/zinc/33/88/43/306338843.db2.gz UFBBTPPYNSUXHD-ROUUACIJSA-N 2 0 347.507 1.354 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000126159559 138337430 /nfs/dbraw/zinc/33/74/30/138337430.db2.gz DZNIXURGDQDAAC-BEFAXECRSA-N 2 0 345.487 1.816 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000186843740 236039631 /nfs/dbraw/zinc/03/96/31/236039631.db2.gz YWIBBZVRVBOXQA-CRAIPNDOSA-N 2 0 330.476 1.162 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000564065133 306354718 /nfs/dbraw/zinc/35/47/18/306354718.db2.gz KFVYSMBJCCKKFG-SJWGOKEGSA-N 2 0 326.444 1.624 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000314961951 299288510 /nfs/dbraw/zinc/28/85/10/299288510.db2.gz BNSADCLIPBPOEB-AWEZNQCLSA-N 2 0 327.494 1.929 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000175713069 237317199 /nfs/dbraw/zinc/31/71/99/237317199.db2.gz RVSOJPHSTKRVMM-QGZVFWFLSA-N 2 0 341.496 1.007 20 0 EDADRP Cc1ncc2n1C[C@@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000565074247 306374863 /nfs/dbraw/zinc/37/48/63/306374863.db2.gz QQPUXHBKXTYCKG-UXLLHSPISA-N 2 0 348.491 1.760 20 0 EDADRP C[C@@H](NC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000358861903 296032990 /nfs/dbraw/zinc/03/29/90/296032990.db2.gz ZBCGEHUEUVOBCZ-RBSFLKMASA-N 2 0 340.512 1.020 20 0 EDADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CCCN(CCCO)C1 ZINC000565892756 306394230 /nfs/dbraw/zinc/39/42/30/306394230.db2.gz QNOLSPQYYQHICW-HNNXBMFYSA-N 2 0 337.439 1.899 20 0 EDADRP CC[C@@H]1CCCC[C@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566059373 306397198 /nfs/dbraw/zinc/39/71/98/306397198.db2.gz UYWPRHYWZIHZKM-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP Cc1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc(C)c1O ZINC000414482478 304118253 /nfs/dbraw/zinc/11/82/53/304118253.db2.gz LRGWTJYUYQOERH-UHFFFAOYSA-N 2 0 347.503 1.895 20 0 EDADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703711 304130314 /nfs/dbraw/zinc/13/03/14/304130314.db2.gz MROMHLKLKKUAGS-MOPGFXCFSA-N 2 0 347.503 1.703 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000414710003 304131277 /nfs/dbraw/zinc/13/12/77/304131277.db2.gz RHCLGGMKRJNPAK-RVKKMQEKSA-N 2 0 349.450 1.785 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000414715774 304131942 /nfs/dbraw/zinc/13/19/42/304131942.db2.gz XOYRDNVBJOJBBY-HUUCEWRRSA-N 2 0 346.475 1.724 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000414716642 304132155 /nfs/dbraw/zinc/13/21/55/304132155.db2.gz XKMAVMVEWOXZDR-CVEARBPZSA-N 2 0 330.432 1.088 20 0 EDADRP C[C@@H](NC(=O)[C@]1(C)CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237471329 296103274 /nfs/dbraw/zinc/10/32/74/296103274.db2.gz IQRNCJGKBXULLM-AUUYWEPGSA-N 2 0 348.466 1.754 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000414735925 304134986 /nfs/dbraw/zinc/13/49/86/304134986.db2.gz MERDKIXWAWGNLL-RHSMWYFYSA-N 2 0 344.459 1.732 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000414740373 304135390 /nfs/dbraw/zinc/13/53/90/304135390.db2.gz GGUHEBBVOWEZPB-AWEZNQCLSA-N 2 0 346.475 1.835 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[C@H]2C[NH3+])CC1 ZINC000414746351 304136478 /nfs/dbraw/zinc/13/64/78/304136478.db2.gz ZCKOEDQVIYFTJY-HNNXBMFYSA-N 2 0 331.464 1.784 20 0 EDADRP COCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H]1CCCSC1 ZINC000414761602 304138234 /nfs/dbraw/zinc/13/82/34/304138234.db2.gz JOXPLMPLVNMSOH-HUUCEWRRSA-N 2 0 329.510 1.028 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2[C@@H](c3ccccc3)C2(C)C)CC1 ZINC000566850807 306430309 /nfs/dbraw/zinc/43/03/09/306430309.db2.gz DACHXWYFWDWRGI-GUDVDZBRSA-N 2 0 331.504 1.624 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)c1 ZINC000415032369 304152636 /nfs/dbraw/zinc/15/26/36/304152636.db2.gz AFGHUTHTKHHMCI-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000415029521 304152645 /nfs/dbraw/zinc/15/26/45/304152645.db2.gz DROQYXNEQRVJCD-NVXWUHKLSA-N 2 0 344.459 1.287 20 0 EDADRP COCC1(C[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC[NH2+]CC1 ZINC000566967744 306434474 /nfs/dbraw/zinc/43/44/74/306434474.db2.gz MZJGRJBURSSDBP-ZDUSSCGKSA-N 2 0 333.432 1.684 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC1CC[NH+](CC2CC2)CC1 ZINC000566996782 306435183 /nfs/dbraw/zinc/43/51/83/306435183.db2.gz MKEYAYSNSXYINQ-UHFFFAOYSA-N 2 0 332.492 1.986 20 0 EDADRP COc1cc(CN2CC[C@@H]([NH2+]CC3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000415074929 304157832 /nfs/dbraw/zinc/15/78/32/304157832.db2.gz AZZAKKXWGGHGHE-QGZVFWFLSA-N 2 0 333.476 1.867 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2csc(CC[NH3+])n2)[NH+](C)C)cc1 ZINC000194830008 139000989 /nfs/dbraw/zinc/00/09/89/139000989.db2.gz RVTXBKFVLKFIQM-OAHLLOKOSA-N 2 0 332.473 1.985 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1OC ZINC000415123769 304162111 /nfs/dbraw/zinc/16/21/11/304162111.db2.gz JQTOWUKNMPDKJC-HNNXBMFYSA-N 2 0 331.420 1.591 20 0 EDADRP COCCOc1cccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415131956 304162734 /nfs/dbraw/zinc/16/27/34/304162734.db2.gz KJBJXYQUOBESCY-MOPGFXCFSA-N 2 0 346.471 1.912 20 0 EDADRP CCn1cc(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000415135806 304163187 /nfs/dbraw/zinc/16/31/87/304163187.db2.gz QSHOZMFJDXXOTF-UHFFFAOYSA-N 2 0 327.476 1.986 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000195157164 139008216 /nfs/dbraw/zinc/00/82/16/139008216.db2.gz LWAAATWHUAIOCF-KRWDZBQOSA-N 2 0 329.444 1.360 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267765 306445170 /nfs/dbraw/zinc/44/51/70/306445170.db2.gz LKAQFRZULQBZSI-GPMSIDNRSA-N 2 0 335.492 1.510 20 0 EDADRP Cc1c(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236607791 139026904 /nfs/dbraw/zinc/02/69/04/139026904.db2.gz BZFRRBFOUOWKGB-HNNXBMFYSA-N 2 0 348.495 1.361 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000236653473 139027715 /nfs/dbraw/zinc/02/77/15/139027715.db2.gz CTORYYKPQJXBHK-KURKYZTESA-N 2 0 331.460 1.299 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000236621595 139027129 /nfs/dbraw/zinc/02/71/29/139027129.db2.gz VLJBZNLFUYAYGI-KRWDZBQOSA-N 2 0 332.492 1.688 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236926138 139035357 /nfs/dbraw/zinc/03/53/57/139035357.db2.gz VACOOPWKULUBFO-AEFFLSMTSA-N 2 0 332.492 1.294 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CC23CC[NH2+]CC3)([NH+]2CCCCC2)CC1 ZINC000237065433 139039686 /nfs/dbraw/zinc/03/96/86/139039686.db2.gz ANGDYCHNJMJMCC-QGZVFWFLSA-N 2 0 348.535 1.443 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000362564588 296185743 /nfs/dbraw/zinc/18/57/43/296185743.db2.gz MFQVMUNDXUKVBE-HUUCEWRRSA-N 2 0 331.464 1.577 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237194984 139043538 /nfs/dbraw/zinc/04/35/38/139043538.db2.gz FOHNZUJVXSXNJS-CVEARBPZSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@H](C[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237494589 139052605 /nfs/dbraw/zinc/05/26/05/139052605.db2.gz MRRWABAEOBFPGK-BFYDXBDKSA-N 2 0 333.476 1.733 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000415193705 304173768 /nfs/dbraw/zinc/17/37/68/304173768.db2.gz MNVALTOOVOGDEM-CQSZACIVSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631793 139056395 /nfs/dbraw/zinc/05/63/95/139056395.db2.gz LQONJGDWLVVXDS-DAYGRLMNSA-N 2 0 331.460 1.522 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000111794368 220191349 /nfs/dbraw/zinc/19/13/49/220191349.db2.gz BBKJBZNBVJZMOE-MSOLQXFVSA-N 2 0 348.491 1.699 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000111794371 220192021 /nfs/dbraw/zinc/19/20/21/220192021.db2.gz BBKJBZNBVJZMOE-QZTJIDSGSA-N 2 0 348.491 1.699 20 0 EDADRP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000415299127 304188435 /nfs/dbraw/zinc/18/84/35/304188435.db2.gz HOLBNNLFJNMOAH-HIFRSBDPSA-N 2 0 333.436 1.476 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000568275551 306477799 /nfs/dbraw/zinc/47/77/99/306477799.db2.gz YTHFPLWCZVWMDN-MQVJKMGUSA-N 2 0 343.475 1.693 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000415357170 304202681 /nfs/dbraw/zinc/20/26/81/304202681.db2.gz IKRJWOCIPHFGGM-INIZCTEOSA-N 2 0 344.459 1.071 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000568509397 306483217 /nfs/dbraw/zinc/48/32/17/306483217.db2.gz KDWTVYUNHWWGJI-QGZVFWFLSA-N 2 0 331.460 1.576 20 0 EDADRP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071357 139157941 /nfs/dbraw/zinc/15/79/41/139157941.db2.gz MPOUFLAEFHJJPC-MOPGFXCFSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000248168112 139158878 /nfs/dbraw/zinc/15/88/78/139158878.db2.gz UEWRFUCBWNQLEN-GGPKGHCWSA-N 2 0 345.535 1.518 20 0 EDADRP C[C@H](O)C[C@@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2C[C@H](C)O)COC1 ZINC000248439471 139163943 /nfs/dbraw/zinc/16/39/43/139163943.db2.gz UGAHRGXXXFJYSQ-XSLAGTTESA-N 2 0 340.508 1.474 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377740749 284724144 /nfs/dbraw/zinc/72/41/44/284724144.db2.gz DNZVEBWLOFKIRI-CVEARBPZSA-N 2 0 331.464 1.269 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)CC1 ZINC000347012846 250052937 /nfs/dbraw/zinc/05/29/37/250052937.db2.gz KUFVMASDCSENGC-MRXNPFEDSA-N 2 0 326.529 1.687 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000352038401 250071443 /nfs/dbraw/zinc/07/14/43/250071443.db2.gz HRPWKTQWPNFKAC-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H](C(=O)NC(N)=O)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820965 218171933 /nfs/dbraw/zinc/17/19/33/218171933.db2.gz BLXCTSZXUONZLS-CYBMUJFWSA-N 2 0 333.436 1.203 20 0 EDADRP CCCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[NH2+]C1 ZINC000415409772 304216041 /nfs/dbraw/zinc/21/60/41/304216041.db2.gz ULHLAACPKBRUKA-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP Fc1cccc(-c2nc(CN3CC[C@@H](N4CC[NH2+]CC4)C3)co2)c1 ZINC000261603362 139209908 /nfs/dbraw/zinc/20/99/08/139209908.db2.gz CBSDGVYDTIVQOA-QGZVFWFLSA-N 2 0 330.407 1.960 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)s1 ZINC000261637950 139213256 /nfs/dbraw/zinc/21/32/56/139213256.db2.gz DPNYUYBDHIXJHY-LSDHHAIUSA-N 2 0 336.505 1.840 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1)C1CC1 ZINC000415453318 304222174 /nfs/dbraw/zinc/22/21/74/304222174.db2.gz MXSPWKOPPMEWFF-KRWDZBQOSA-N 2 0 344.459 1.115 20 0 EDADRP CCCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261723547 139220602 /nfs/dbraw/zinc/22/06/02/139220602.db2.gz QYGMLKUNUYGJOI-DOTOQJQBSA-N 2 0 333.480 1.373 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261747118 139222625 /nfs/dbraw/zinc/22/26/25/139222625.db2.gz DZRBEERFOHUVPT-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)CC(C)C ZINC000344458573 284812859 /nfs/dbraw/zinc/81/28/59/284812859.db2.gz JCOSZUSEXMTBAD-KRWDZBQOSA-N 2 0 349.523 1.835 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261784651 139225694 /nfs/dbraw/zinc/22/56/94/139225694.db2.gz LKWRTVIFUTXBJV-IUPBHXKESA-N 2 0 326.238 1.571 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000261837212 139230353 /nfs/dbraw/zinc/23/03/53/139230353.db2.gz UODXEGBVTOMXGO-PKOBYXMFSA-N 2 0 345.487 1.777 20 0 EDADRP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000261895678 139234886 /nfs/dbraw/zinc/23/48/86/139234886.db2.gz CYVGSYAZLBDJPB-QGZVFWFLSA-N 2 0 345.491 1.071 20 0 EDADRP CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C[C@@]1(C)CC[NH2+]C1 ZINC000261876215 139233184 /nfs/dbraw/zinc/23/31/84/139233184.db2.gz PXTWDDQOBPVZJH-SFHVURJKSA-N 2 0 333.432 1.718 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000261885954 139234080 /nfs/dbraw/zinc/23/40/80/139234080.db2.gz SKTHRDPFTMLVCV-ZACQAIPSSA-N 2 0 325.497 1.629 20 0 EDADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)OCCO2 ZINC000261943162 139238940 /nfs/dbraw/zinc/23/89/40/139238940.db2.gz NCFNFAOOSKRCCV-GVDBMIGSSA-N 2 0 332.444 1.747 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)N(C)Cc2ccccc2OC)CC1 ZINC000262012753 139243839 /nfs/dbraw/zinc/24/38/39/139243839.db2.gz UWOIODALCUZUMS-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414858498 250867280 /nfs/dbraw/zinc/86/72/80/250867280.db2.gz JTGZJXYPXKDXSR-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@@H](C)CO1 ZINC000262074870 139248896 /nfs/dbraw/zinc/24/88/96/139248896.db2.gz KGKXTNUOSOPRAJ-WMZOPIPTSA-N 2 0 331.460 1.579 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000414880575 250875015 /nfs/dbraw/zinc/87/50/15/250875015.db2.gz QHHOPKQFDLEOLD-INIZCTEOSA-N 2 0 346.475 1.581 20 0 EDADRP CCOc1cc(C[NH2+][C@H](C)CC[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000414895853 250880696 /nfs/dbraw/zinc/88/06/96/250880696.db2.gz NNNXBBVIIMSLOV-KGLIPLIRSA-N 2 0 337.464 1.768 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000415689265 251018825 /nfs/dbraw/zinc/01/88/25/251018825.db2.gz KYBKNKBPQVGAQJ-SFHVURJKSA-N 2 0 332.448 1.192 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)c1 ZINC000569333461 306503812 /nfs/dbraw/zinc/50/38/12/306503812.db2.gz WABQCEFAODGPBW-CALCHBBNSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCO1 ZINC000416010781 251046465 /nfs/dbraw/zinc/04/64/65/251046465.db2.gz ORDCHMVNVUBMJU-CQSZACIVSA-N 2 0 332.448 1.912 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000415572087 304228350 /nfs/dbraw/zinc/22/83/50/304228350.db2.gz MXNPQLHWMMDJPL-GDBMZVCRSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250153 139263544 /nfs/dbraw/zinc/26/35/44/139263544.db2.gz LOAMENCYCWWTDZ-RDJZCZTQSA-N 2 0 331.460 1.694 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000415571573 304228579 /nfs/dbraw/zinc/22/85/79/304228579.db2.gz MSRWGAPRPZEAAN-ZBFHGGJFSA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@@H](C)CC[NH3+])cc2)CC1 ZINC000416992243 251120654 /nfs/dbraw/zinc/12/06/54/251120654.db2.gz PDMXZIZAEFBOLN-INIZCTEOSA-N 2 0 347.507 1.361 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417015098 251132676 /nfs/dbraw/zinc/13/26/76/251132676.db2.gz DZNKUVKVPLUFNB-CRAIPNDOSA-N 2 0 330.476 1.875 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417019739 251133969 /nfs/dbraw/zinc/13/39/69/251133969.db2.gz LSYRRGUJLCNMDR-UHFFFAOYSA-N 2 0 333.480 1.235 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000417000689 251125018 /nfs/dbraw/zinc/12/50/18/251125018.db2.gz ZAJCDQOXGKXACJ-QAPCUYQASA-N 2 0 348.491 1.896 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000417090554 251140572 /nfs/dbraw/zinc/14/05/72/251140572.db2.gz XAPVEDGSHMWHGX-ZWKOTPCHSA-N 2 0 346.475 1.410 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000417413245 251165509 /nfs/dbraw/zinc/16/55/09/251165509.db2.gz XPGIWWDZKGVSNZ-MSOLQXFVSA-N 2 0 330.476 1.889 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[NH+](C)C)cc1 ZINC000417318024 251158081 /nfs/dbraw/zinc/15/80/81/251158081.db2.gz XVSINBYQRAYKSS-SQNIBIBYSA-N 2 0 330.476 1.991 20 0 EDADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417657130 251215829 /nfs/dbraw/zinc/21/58/29/251215829.db2.gz XRSHBTJDZTZJIG-AWEZNQCLSA-N 2 0 344.381 1.798 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000417683473 251225799 /nfs/dbraw/zinc/22/57/99/251225799.db2.gz NDIQZYIBPPXXBD-AWEZNQCLSA-N 2 0 326.485 1.304 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)N3C[C@H](C[NH3+])C[C@@H]3C)CC2)nc1 ZINC000417724230 251242975 /nfs/dbraw/zinc/24/29/75/251242975.db2.gz DIUSQQOXIFKTKI-GJZGRUSLSA-N 2 0 331.464 1.738 20 0 EDADRP [NH3+]CCCCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417837370 251292395 /nfs/dbraw/zinc/29/23/95/251292395.db2.gz IDUOBMFDLCEEBU-UHFFFAOYSA-N 2 0 326.485 1.307 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417803911 251277287 /nfs/dbraw/zinc/27/72/87/251277287.db2.gz GFGFEGLSEKPCNP-LSDHHAIUSA-N 2 0 326.485 1.268 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262466211 139280820 /nfs/dbraw/zinc/28/08/20/139280820.db2.gz XUUSLOZVTZMYGY-CVEARBPZSA-N 2 0 349.500 1.597 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000417944564 251317446 /nfs/dbraw/zinc/31/74/46/251317446.db2.gz CMOYQQDUYUHIHX-DFBGVHRSSA-N 2 0 340.855 1.358 20 0 EDADRP CC[N@H+](CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)CCC(F)(F)F ZINC000418078133 251321673 /nfs/dbraw/zinc/32/16/73/251321673.db2.gz NODVEUULMRZQSR-ZDUSSCGKSA-N 2 0 336.402 1.797 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCCO1 ZINC000418113652 251327339 /nfs/dbraw/zinc/32/73/39/251327339.db2.gz JXBQHGLVPKYFFS-BRWVUGGUSA-N 2 0 340.512 1.552 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000417851928 251297657 /nfs/dbraw/zinc/29/76/57/251297657.db2.gz YYYINCNSWSFPFB-ABHNRTSZSA-N 2 0 330.476 1.062 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccco1 ZINC000418161367 251350125 /nfs/dbraw/zinc/35/01/25/251350125.db2.gz FADXVFWTIXTXGC-CAOSSQGBSA-N 2 0 334.464 1.960 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C[C@@H]1[NH3+] ZINC000418162667 251350224 /nfs/dbraw/zinc/35/02/24/251350224.db2.gz GMEGWYKFSUXYAV-KSSFIOAISA-N 2 0 346.475 1.648 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418319233 251360054 /nfs/dbraw/zinc/36/00/54/251360054.db2.gz OOQFEWPNQMTQDN-YOEHRIQHSA-N 2 0 334.464 1.597 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418717488 251395388 /nfs/dbraw/zinc/39/53/88/251395388.db2.gz CNOFLHFVIAAAJR-HOTGVXAUSA-N 2 0 340.512 1.646 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418581935 251378926 /nfs/dbraw/zinc/37/89/26/251378926.db2.gz MMCKSJYUYWJYIC-UONOGXRCSA-N 2 0 333.436 1.192 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679559 251383714 /nfs/dbraw/zinc/38/37/14/251383714.db2.gz XDIGJXAZQHCQIM-SOKJMZBUSA-N 2 0 332.423 1.036 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000262588033 139288562 /nfs/dbraw/zinc/28/85/62/139288562.db2.gz QGILUBPQVLDBND-UHFFFAOYSA-N 2 0 332.492 1.642 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000262664696 139294478 /nfs/dbraw/zinc/29/44/78/139294478.db2.gz INQGYKPRDWUOCH-SFHVURJKSA-N 2 0 334.464 1.112 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1CCC[C@H](C)C1 ZINC000262671062 139295182 /nfs/dbraw/zinc/29/51/82/139295182.db2.gz NZDIWIFMVNSIHV-KBPBESRZSA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262672345 139295249 /nfs/dbraw/zinc/29/52/49/139295249.db2.gz PEBJMEFUMZMBOG-GOSISDBHSA-N 2 0 331.460 1.127 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C[NH+]1CCCCC1 ZINC000262701544 139297410 /nfs/dbraw/zinc/29/74/10/139297410.db2.gz CHQRLFANTKYUIK-JKSUJKDBSA-N 2 0 333.480 1.659 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(C[NH+]2CCSCC2)cc1C ZINC000262847049 139307556 /nfs/dbraw/zinc/30/75/56/139307556.db2.gz JNGSFTZDQZZWIL-OAHLLOKOSA-N 2 0 337.489 1.846 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422881472 252010250 /nfs/dbraw/zinc/01/02/50/252010250.db2.gz NTVNTZGEVSITGW-QAPCUYQASA-N 2 0 330.476 1.162 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@H](C)[C@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422881135 252010511 /nfs/dbraw/zinc/01/05/11/252010511.db2.gz PMQZAMBOWIEJOE-SJLPKXTDSA-N 2 0 331.508 1.844 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422893528 252013479 /nfs/dbraw/zinc/01/34/79/252013479.db2.gz ADGWHZUOSWDPSU-MOPGFXCFSA-N 2 0 333.476 1.484 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)cc1 ZINC000422892679 252013484 /nfs/dbraw/zinc/01/34/84/252013484.db2.gz ZEFJLWSSTDIQNS-RDTXWAMCSA-N 2 0 331.460 1.966 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782452 251976194 /nfs/dbraw/zinc/97/61/94/251976194.db2.gz MZLLFMSNJWWUDO-KVSKMBFKSA-N 2 0 327.476 1.937 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422900907 252017089 /nfs/dbraw/zinc/01/70/89/252017089.db2.gz KHNGXKFBCATKGJ-RDJZCZTQSA-N 2 0 339.505 1.933 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000422864440 252003573 /nfs/dbraw/zinc/00/35/73/252003573.db2.gz NBOGEQRQVDEBTB-TXPKVOOTSA-N 2 0 333.476 1.995 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423356619 252052129 /nfs/dbraw/zinc/05/21/29/252052129.db2.gz QXVNDFYFBLHENF-QGZVFWFLSA-N 2 0 333.480 1.659 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423356429 252052532 /nfs/dbraw/zinc/05/25/32/252052532.db2.gz GSRFKQQDKTWPBF-GDBMZVCRSA-N 2 0 342.447 1.192 20 0 EDADRP [NH3+][C@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CCC1 ZINC000423415601 252053816 /nfs/dbraw/zinc/05/38/16/252053816.db2.gz DVRWFQFNZLWUAO-HNNXBMFYSA-N 2 0 325.522 1.982 20 0 EDADRP C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]1 ZINC000422908678 252018925 /nfs/dbraw/zinc/01/89/25/252018925.db2.gz DOUGDDKWNPKHFV-QFBILLFUSA-N 2 0 344.503 1.742 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000423005533 252023952 /nfs/dbraw/zinc/02/39/52/252023952.db2.gz MMEVVOXSALFDNW-NZSAHSFTSA-N 2 0 344.503 1.692 20 0 EDADRP CC[C@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000424022434 252116507 /nfs/dbraw/zinc/11/65/07/252116507.db2.gz UFGUZBRUAWOCQF-HXUWFJFHSA-N 3 0 344.503 1.628 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C(C)(C)C ZINC000424149284 252145363 /nfs/dbraw/zinc/14/53/63/252145363.db2.gz WHEQPRAMSHIYQR-DZGCQCFKSA-N 2 0 336.484 1.299 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424216192 252165662 /nfs/dbraw/zinc/16/56/62/252165662.db2.gz IBQKDTHELUBXLR-OKZBNKHCSA-N 2 0 345.512 1.814 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC(=O)N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000424320401 252195810 /nfs/dbraw/zinc/19/58/10/252195810.db2.gz RNMCHDZZHOABGC-BBRMVZONSA-N 2 0 333.432 1.425 20 0 EDADRP [NH3+]Cc1ccc(-c2noc(-c3cn([C@@H]4CCC[NH2+]C4)nn3)n2)cc1 ZINC000424336610 252197336 /nfs/dbraw/zinc/19/73/36/252197336.db2.gz JNXDRLCUMPBFBZ-CYBMUJFWSA-N 2 0 325.376 1.378 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000424430766 252226465 /nfs/dbraw/zinc/22/64/65/252226465.db2.gz DBRSXOMETIRXKF-KRWDZBQOSA-N 2 0 334.464 1.812 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415615239 304239213 /nfs/dbraw/zinc/23/92/13/304239213.db2.gz OIDLBRMBZLYLSL-OAUYIBNBSA-N 2 0 344.459 1.288 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479867 252247980 /nfs/dbraw/zinc/24/79/80/252247980.db2.gz PDJLATSWHMUQOC-CEXWTWQISA-N 2 0 342.487 1.902 20 0 EDADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263184941 139327094 /nfs/dbraw/zinc/32/70/94/139327094.db2.gz HENLDMXWDNVYSF-IVMMDQJWSA-N 2 0 339.867 1.247 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086628 285075258 /nfs/dbraw/zinc/07/52/58/285075258.db2.gz VJCXXNXQBIBVNL-LPHOPBHVSA-N 2 0 349.475 1.430 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000358581981 296389033 /nfs/dbraw/zinc/38/90/33/296389033.db2.gz ACRHLYNTCLGNHZ-QGZVFWFLSA-N 2 0 341.544 1.243 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000263734635 139356598 /nfs/dbraw/zinc/35/65/98/139356598.db2.gz NOCMMSLAORJSDQ-OAHLLOKOSA-N 2 0 336.480 1.766 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000487557459 255032387 /nfs/dbraw/zinc/03/23/87/255032387.db2.gz JVOQBJBHDFIFMC-OQIJWPOYSA-N 2 0 327.472 1.775 20 0 EDADRP C[C@]1(CO)CCC[C@H]1[NH2+]CCOCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493541608 255214482 /nfs/dbraw/zinc/21/44/82/255214482.db2.gz GLQXKOFCGWIDHM-XMTFNYHQSA-N 2 0 328.497 1.284 20 0 EDADRP C[C@H]([NH2+]CCCC[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496147148 255357077 /nfs/dbraw/zinc/35/70/77/255357077.db2.gz ODSVXFAXQGDLSU-RDJZCZTQSA-N 2 0 335.448 1.741 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496386647 255390280 /nfs/dbraw/zinc/39/02/80/255390280.db2.gz QOTTUZLTLKWHTR-CQSZACIVSA-N 2 0 341.500 1.745 20 0 EDADRP O=C1OCCN1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000496866636 255434401 /nfs/dbraw/zinc/43/44/01/255434401.db2.gz QSOOELZDKKSHRC-QAPCUYQASA-N 2 0 331.416 1.674 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)COC ZINC000341164486 285277711 /nfs/dbraw/zinc/27/77/11/285277711.db2.gz NHDCLZASKYFMFK-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000118721857 221173571 /nfs/dbraw/zinc/17/35/71/221173571.db2.gz MFXJLGYCMRZGDQ-IBGZPJMESA-N 2 0 345.487 1.614 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000111631314 285315876 /nfs/dbraw/zinc/31/58/76/285315876.db2.gz KFGFSXVGDIMRIY-SFHVURJKSA-N 2 0 346.519 1.651 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000174690819 533279997 /nfs/dbraw/zinc/27/99/97/533279997.db2.gz CKMXGRJKLRODJJ-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H]([N@H+](C)CCO)[C@H]1C ZINC000415935364 304286210 /nfs/dbraw/zinc/28/62/10/304286210.db2.gz UQALZVZMQIXLGB-RHSMWYFYSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000416226914 304298211 /nfs/dbraw/zinc/29/82/11/304298211.db2.gz OGSMRASHQSCTBR-SFHVURJKSA-N 2 0 346.519 1.822 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCc4ccccc4C3)C2)C1 ZINC000416237793 304298767 /nfs/dbraw/zinc/29/87/67/304298767.db2.gz FWCLQPZCJXQVLT-FQEVSTJZSA-N 2 0 327.472 1.989 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)([NH+](C)C)C1 ZINC000237526979 296493973 /nfs/dbraw/zinc/49/39/73/296493973.db2.gz FMAXTLCLQAGCMR-KDOFPFPSSA-N 2 0 348.495 1.443 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000269313228 139914242 /nfs/dbraw/zinc/91/42/42/139914242.db2.gz XRAQJHPUHTZBBM-LSDHHAIUSA-N 2 0 346.475 1.903 20 0 EDADRP CCn1nccc1/C=C/C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000269976438 140027298 /nfs/dbraw/zinc/02/72/98/140027298.db2.gz NCSPTXHXIKUDKR-MDZDMXLPSA-N 2 0 335.496 1.648 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000571866000 306576222 /nfs/dbraw/zinc/57/62/22/306576222.db2.gz CVPPKYPVIAJFLO-FJIDUMEYSA-N 2 0 334.508 1.938 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCCCC1 ZINC000331933142 141099841 /nfs/dbraw/zinc/09/98/41/141099841.db2.gz FCAWCRQSNYFSKU-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCNC(=O)[C@H]1CC(C)C ZINC000333298069 141294909 /nfs/dbraw/zinc/29/49/09/141294909.db2.gz BKDDKWSVAIZPHJ-QGZVFWFLSA-N 2 0 327.432 1.922 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000333575676 141339475 /nfs/dbraw/zinc/33/94/75/141339475.db2.gz JHODKMOVVSKIBH-SFHVURJKSA-N 2 0 346.475 1.523 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333593913 141342011 /nfs/dbraw/zinc/34/20/11/141342011.db2.gz OSZBXQMBUCIVJN-CVEARBPZSA-N 2 0 327.432 1.865 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000337978826 141709685 /nfs/dbraw/zinc/70/96/85/141709685.db2.gz KVGGQTXPXDRMRW-FQEVSTJZSA-N 2 0 344.503 1.786 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339317681 142013134 /nfs/dbraw/zinc/01/31/34/142013134.db2.gz ZEFMPCWAOKIAGP-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP CN(C[C@@H](O)C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)C1CC1 ZINC000339526335 142066198 /nfs/dbraw/zinc/06/61/98/142066198.db2.gz GJCNOIGZOJIPPZ-SFHVURJKSA-N 2 0 336.451 1.962 20 0 EDADRP C[C@H](CNC(=O)NCCN1CCC([NH+](C)C)CC1)C[NH+]1CCCC1 ZINC000340257537 142322111 /nfs/dbraw/zinc/32/21/11/142322111.db2.gz XKDPSBPUMSDCHJ-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)C[NH+](C)C ZINC000340395061 142375550 /nfs/dbraw/zinc/37/55/50/142375550.db2.gz PFXMPCGUMGUJMH-MLGOLLRUSA-N 2 0 325.478 1.499 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3CC[NH+](C(C)C)CC3)C2)CC1 ZINC000345573518 143107424 /nfs/dbraw/zinc/10/74/24/143107424.db2.gz OZSGWMLOZMBUOS-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCO[C@H](C)C1 ZINC000345594070 143109644 /nfs/dbraw/zinc/10/96/44/143109644.db2.gz LUFSJXKFCZWADS-IXDOHACOSA-N 2 0 325.497 1.676 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)[NH+](C)C)c1 ZINC000345634597 143114800 /nfs/dbraw/zinc/11/48/00/143114800.db2.gz HMBGGIRMZZLRHB-ZWKOTPCHSA-N 2 0 349.475 1.523 20 0 EDADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000345986205 143154263 /nfs/dbraw/zinc/15/42/63/143154263.db2.gz BMMOVFRANQGLFJ-CKEIUWERSA-N 2 0 345.443 1.011 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3ccc4c(c3)OCO4)C[C@@H]12 ZINC000346839093 143250562 /nfs/dbraw/zinc/25/05/62/143250562.db2.gz YFFUYJJLTIVKIY-NWANDNLSSA-N 2 0 326.400 1.975 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CCCCC2)C1 ZINC000346999746 143269759 /nfs/dbraw/zinc/26/97/59/143269759.db2.gz ZCRSFWMKGBPKJH-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](CCCOc1ccccc1C(N)=O)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000347419405 143318936 /nfs/dbraw/zinc/31/89/36/143318936.db2.gz NCABYEVPXSDRES-OAHLLOKOSA-N 2 0 349.475 1.379 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000347720291 143354152 /nfs/dbraw/zinc/35/41/52/143354152.db2.gz IIZWROPYHRSYBL-UHFFFAOYSA-N 2 0 345.491 1.390 20 0 EDADRP CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347866880 143372272 /nfs/dbraw/zinc/37/22/72/143372272.db2.gz LCGYYEPERDWXIP-NXHRZFHOSA-N 2 0 349.523 1.848 20 0 EDADRP CN(C(=O)c1ccccc1OCC[NH+](C)C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347883137 143374577 /nfs/dbraw/zinc/37/45/77/143374577.db2.gz BWVFUTUMTWLYJJ-MRXNPFEDSA-N 2 0 331.460 1.936 20 0 EDADRP CC[C@H](C(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1)[NH+](CC)CC ZINC000347989915 143388195 /nfs/dbraw/zinc/38/81/95/143388195.db2.gz BFWVHIVBXUWKPH-BRWVUGGUSA-N 2 0 325.497 1.819 20 0 EDADRP CC1(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C[NH2+]C1 ZINC000573202746 306615210 /nfs/dbraw/zinc/61/52/10/306615210.db2.gz DZBCADTZKWXMJL-UHFFFAOYSA-N 2 0 330.476 1.315 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000416842807 304350859 /nfs/dbraw/zinc/35/08/59/304350859.db2.gz KCIQLQUPLCGNMK-WMLDXEAASA-N 2 0 334.464 1.869 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416821930 304350319 /nfs/dbraw/zinc/35/03/19/304350319.db2.gz WETZNIJSNMSQQR-MRXNPFEDSA-N 2 0 349.479 1.011 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[NH+]1CCCC1 ZINC000416856232 304352072 /nfs/dbraw/zinc/35/20/72/304352072.db2.gz WVJRKMRBSDSFCA-HOCLYGCPSA-N 2 0 334.464 1.821 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979191 304360127 /nfs/dbraw/zinc/36/01/27/304360127.db2.gz WRTPJFNWOLDQLI-WMLDXEAASA-N 2 0 334.464 1.424 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417028783 304362272 /nfs/dbraw/zinc/36/22/72/304362272.db2.gz BVJQEESQOOCJGG-XDNAFOTISA-N 2 0 336.524 1.995 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417036343 304364182 /nfs/dbraw/zinc/36/41/82/304364182.db2.gz HPJJYXHGRUTXDP-IAGOWNOFSA-N 2 0 339.528 1.221 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000573719149 306631465 /nfs/dbraw/zinc/63/14/65/306631465.db2.gz VJDGESUPPSTHOD-CABCVRRESA-N 2 0 328.501 1.645 20 0 EDADRP CC1(NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000417040012 304364698 /nfs/dbraw/zinc/36/46/98/304364698.db2.gz VMJLSYQZEZSGPE-UHFFFAOYSA-N 2 0 330.476 1.876 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000358063956 151254990 /nfs/dbraw/zinc/25/49/90/151254990.db2.gz JUYKWUGDQVPNJI-IBGZPJMESA-N 2 0 331.460 1.469 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000358082730 151264233 /nfs/dbraw/zinc/26/42/33/151264233.db2.gz WZXJNWKARDZNCY-RDJZCZTQSA-N 2 0 336.480 1.143 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358122681 151279443 /nfs/dbraw/zinc/27/94/43/151279443.db2.gz ZGMYDRREMBAZNR-XYJFISCASA-N 2 0 334.508 1.146 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358142809 151286967 /nfs/dbraw/zinc/28/69/67/151286967.db2.gz RLEXAUHOCNVCCI-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000358277573 151324214 /nfs/dbraw/zinc/32/42/14/151324214.db2.gz PSAWHSQNJRGYIW-QGZVFWFLSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358491435 151392915 /nfs/dbraw/zinc/39/29/15/151392915.db2.gz FFBPTNQUHVPBOK-HRCADAONSA-N 2 0 340.512 1.467 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000358860535 151522050 /nfs/dbraw/zinc/52/20/50/151522050.db2.gz DSOJUZQXLKUUGN-HOTGVXAUSA-N 2 0 325.428 1.341 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)s1 ZINC000573981785 306640010 /nfs/dbraw/zinc/64/00/10/306640010.db2.gz XDQLLAIYCYPWAT-KXNHARMFSA-N 2 0 325.482 1.923 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670658 152146656 /nfs/dbraw/zinc/14/66/56/152146656.db2.gz YLMAOGXBNQYCLE-PBHICJAKSA-N 2 0 340.537 1.740 20 0 EDADRP CSC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000360687074 152153499 /nfs/dbraw/zinc/15/34/99/152153499.db2.gz ABVLFBFVCONXFT-LSDHHAIUSA-N 2 0 342.553 1.938 20 0 EDADRP CSC1(CNC(=O)N2CCC(C[NH+](C)C)CC2)CC[NH+](C)CC1 ZINC000360694667 152157319 /nfs/dbraw/zinc/15/73/19/152157319.db2.gz MQRMLRGONURCKB-UHFFFAOYSA-N 2 0 342.553 1.797 20 0 EDADRP CSC1(CNC(=O)N2CCC([NH2+]C(C)C)CC2)CC[NH+](C)CC1 ZINC000360696573 152157909 /nfs/dbraw/zinc/15/79/09/152157909.db2.gz SFRVDLQTTOSJPR-UHFFFAOYSA-N 2 0 342.553 1.986 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000360743692 152180877 /nfs/dbraw/zinc/18/08/77/152180877.db2.gz FYCHPTGPIJPVSQ-IIAWOOMASA-N 2 0 328.526 1.548 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360747420 152183717 /nfs/dbraw/zinc/18/37/17/152183717.db2.gz SDTFWCCAYGGKOW-QGZVFWFLSA-N 2 0 342.553 1.797 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360755218 152188031 /nfs/dbraw/zinc/18/80/31/152188031.db2.gz OVWBGMAOEQTQII-MRXNPFEDSA-N 2 0 330.542 1.653 20 0 EDADRP Cc1cccc(CNC(=O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000360973025 152267429 /nfs/dbraw/zinc/26/74/29/152267429.db2.gz RGQUAYQGTGPNDB-IBGZPJMESA-N 2 0 344.503 1.323 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361093450 152300266 /nfs/dbraw/zinc/30/02/66/152300266.db2.gz ABGLCXFIDWYPGR-NUJGCVRESA-N 2 0 326.444 1.542 20 0 EDADRP CC(C)(C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)N1CCOCC1 ZINC000370143656 155346405 /nfs/dbraw/zinc/34/64/05/155346405.db2.gz XFBMHOGXLFKBAC-DOTOQJQBSA-N 2 0 335.492 1.573 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000417157600 304378723 /nfs/dbraw/zinc/37/87/23/304378723.db2.gz AKHBXAAXEZTLRI-HLLBOEOZSA-N 2 0 334.439 1.679 20 0 EDADRP CN1CCc2ncnc(N(CC3CC3)C[C@H]3CN(C)CCO3)c2C1 ZINC000370171351 155362583 /nfs/dbraw/zinc/36/25/83/155362583.db2.gz GAVPGQPSNNGEEM-OAHLLOKOSA-N 2 0 331.464 1.012 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000417170104 304380360 /nfs/dbraw/zinc/38/03/60/304380360.db2.gz DZJUSNQBNHOFOT-YJBOKZPZSA-N 2 0 346.475 1.398 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364213324 153175607 /nfs/dbraw/zinc/17/56/07/153175607.db2.gz HWYDTTBEPKGRGA-INIZCTEOSA-N 2 0 325.497 1.772 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(COC)CC[NH2+]CC2)C1 ZINC000417241202 304387264 /nfs/dbraw/zinc/38/72/64/304387264.db2.gz QWQZXXSEISFPGI-OAHLLOKOSA-N 2 0 326.485 1.034 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000367654346 154216282 /nfs/dbraw/zinc/21/62/82/154216282.db2.gz VOVZIMYRKDZRHV-IBGZPJMESA-N 2 0 345.487 1.436 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846285 154296324 /nfs/dbraw/zinc/29/63/24/154296324.db2.gz LPVQAHCVDWKAJY-QFBILLFUSA-N 2 0 348.443 1.320 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(C)(C)CN1CCn2ccnc2C1 ZINC000367893695 154316028 /nfs/dbraw/zinc/31/60/28/154316028.db2.gz MYYMNLIXSWKFKC-MRXNPFEDSA-N 2 0 347.507 1.716 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417342045 304392744 /nfs/dbraw/zinc/39/27/44/304392744.db2.gz OLGSVUMVOKNNLA-VKJFTORMSA-N 2 0 330.476 1.860 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417358640 304394710 /nfs/dbraw/zinc/39/47/10/304394710.db2.gz HWHUROBSCOFOJA-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000417359308 304394998 /nfs/dbraw/zinc/39/49/98/304394998.db2.gz ILSSMXDAFWBQER-GOEBONIOSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417475396 304398391 /nfs/dbraw/zinc/39/83/91/304398391.db2.gz ATSQENBLVWYLDP-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417485469 304399538 /nfs/dbraw/zinc/39/95/38/304399538.db2.gz WUFJZDUMYJRKGM-QAPCUYQASA-N 2 0 348.491 1.814 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCCC[C@@H]3CO2)C1 ZINC000372341784 156343514 /nfs/dbraw/zinc/34/35/14/156343514.db2.gz IWMMNFWQHWPXHW-ZACQAIPSSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417527076 304403394 /nfs/dbraw/zinc/40/33/94/304403394.db2.gz NWTCYACXDMFRKC-WBVHZDCISA-N 2 0 348.491 1.609 20 0 EDADRP NC(=O)NC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374030740 157114131 /nfs/dbraw/zinc/11/41/31/157114131.db2.gz GWTHYQPTAASFFT-GOSISDBHSA-N 2 0 330.432 1.169 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603411 157343399 /nfs/dbraw/zinc/34/33/99/157343399.db2.gz MSJCAJKNKYJKGV-RBUKOAKNSA-N 2 0 345.487 1.564 20 0 EDADRP Cc1nccn1CCCC[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374749877 157386782 /nfs/dbraw/zinc/38/67/82/157386782.db2.gz DMRCKPGQIDHMJW-UHFFFAOYSA-N 3 0 333.480 1.210 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)N2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775400 157395184 /nfs/dbraw/zinc/39/51/84/157395184.db2.gz JONXSRRGOCAWQT-HNNXBMFYSA-N 2 0 347.459 1.442 20 0 EDADRP COc1ccc(C[C@@H]2CCC[N@@H+]2CCC(=O)N2CCN(C)CC2)cc1 ZINC000374774317 157395564 /nfs/dbraw/zinc/39/55/64/157395564.db2.gz FXAIDCSHVWGITO-SFHVURJKSA-N 2 0 345.487 1.866 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCC[NH+]2CCC(O)CC2)C1 ZINC000378028813 158060367 /nfs/dbraw/zinc/06/03/67/158060367.db2.gz SNJDGOPJLUYHIN-KRWDZBQOSA-N 2 0 329.460 1.162 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCc1cncn1C ZINC000378113562 158082004 /nfs/dbraw/zinc/08/20/04/158082004.db2.gz LJPWFNLVWOMHJZ-PBHICJAKSA-N 2 0 342.447 1.525 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000378209537 158109634 /nfs/dbraw/zinc/10/96/34/158109634.db2.gz ZLWOHTLLYLOYDJ-KZNAEPCWSA-N 2 0 330.476 1.219 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000378435127 158173095 /nfs/dbraw/zinc/17/30/95/158173095.db2.gz MTFYWXKQYSKOSJ-GOSISDBHSA-N 2 0 345.487 1.917 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)cc1F ZINC000417936901 304434477 /nfs/dbraw/zinc/43/44/77/304434477.db2.gz RMUTYHSCJIOPOE-GDBMZVCRSA-N 2 0 334.439 1.638 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347694093 161789429 /nfs/dbraw/zinc/78/94/29/161789429.db2.gz QUJHMNFYRZYGSZ-AWEZNQCLSA-N 2 0 331.460 1.455 20 0 EDADRP CC[C@@H](NCc1cccnc1N1CC[NH+](C)CC1)[C@H]1CCCC[NH2+]1 ZINC000422711118 286914069 /nfs/dbraw/zinc/91/40/69/286914069.db2.gz GQMASRWRFLITAR-QZTJIDSGSA-N 2 0 331.508 1.844 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000352341320 162129309 /nfs/dbraw/zinc/12/93/09/162129309.db2.gz WZVZDILEHQUJHL-BBWFWOEESA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000352480447 162203989 /nfs/dbraw/zinc/20/39/89/162203989.db2.gz CBRVZRFISQMUJI-QGZVFWFLSA-N 2 0 340.537 1.694 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352534396 162237745 /nfs/dbraw/zinc/23/77/45/162237745.db2.gz GEHGZJSSJQURIN-QGZVFWFLSA-N 2 0 337.489 1.512 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000366431580 162381318 /nfs/dbraw/zinc/38/13/18/162381318.db2.gz LHDUGPRFGVVMAR-MRXNPFEDSA-N 2 0 343.537 1.799 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000418029194 304448477 /nfs/dbraw/zinc/44/84/77/304448477.db2.gz ZEOHKPMBXUKYPF-XHSDSOJGSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000356246283 287085534 /nfs/dbraw/zinc/08/55/34/287085534.db2.gz SNJCGKWUDXQSEL-OWCLPIDISA-N 2 0 325.497 1.410 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663553232 452259912 /nfs/dbraw/zinc/25/99/12/452259912.db2.gz MSACVLPGNZIEFK-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073717213 287263615 /nfs/dbraw/zinc/26/36/15/287263615.db2.gz PGXPOCODVHIHEP-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418317495 304479218 /nfs/dbraw/zinc/47/92/18/304479218.db2.gz MSNMJDFRGCBBKT-SWLSCSKDSA-N 2 0 326.391 1.319 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[C@H]2CCC[NH2+]C2)cc1 ZINC000418339883 304483044 /nfs/dbraw/zinc/48/30/44/304483044.db2.gz FOVBNQDCSCYBLR-CRAIPNDOSA-N 2 0 348.491 1.987 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000168091733 226206772 /nfs/dbraw/zinc/20/67/72/226206772.db2.gz BTFISFRHYZLHML-RBUKOAKNSA-N 2 0 345.487 1.548 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000168878103 226225048 /nfs/dbraw/zinc/22/50/48/226225048.db2.gz BVLOLIMFQIYVEQ-HNNXBMFYSA-N 2 0 325.522 1.854 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000418366121 304486561 /nfs/dbraw/zinc/48/65/61/304486561.db2.gz XZCLAYSYURVNRX-KZNAEPCWSA-N 2 0 348.491 1.958 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000123226559 222239466 /nfs/dbraw/zinc/23/94/66/222239466.db2.gz DXFGBDYCTLMFIX-QGZVFWFLSA-N 2 0 345.553 1.712 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418401097 304491847 /nfs/dbraw/zinc/49/18/47/304491847.db2.gz MZQRPKZEMBSLOX-INIZCTEOSA-N 2 0 340.418 1.775 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H](C[NH3+])OC ZINC000278213358 273253879 /nfs/dbraw/zinc/25/38/79/273253879.db2.gz IBOBKEXNYOERIW-CQSZACIVSA-N 2 0 327.494 1.782 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)C[C@@H](C)O1 ZINC000237417422 273009946 /nfs/dbraw/zinc/00/99/46/273009946.db2.gz RPJJAQQQKPIBCQ-HUUCEWRRSA-N 2 0 331.460 1.664 20 0 EDADRP CC[C@]1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000274341149 273085595 /nfs/dbraw/zinc/08/55/95/273085595.db2.gz AXOXOSBMXDSBLQ-LJQANCHMSA-N 2 0 330.476 1.905 20 0 EDADRP CC(C)N1CC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277430931 273196356 /nfs/dbraw/zinc/19/63/56/273196356.db2.gz BKMKMJIBCFGOKE-UHFFFAOYSA-N 2 0 345.447 1.266 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353575794 287651235 /nfs/dbraw/zinc/65/12/35/287651235.db2.gz DIXNBSKJVKERCR-GOEBONIOSA-N 2 0 325.497 1.900 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278912023 273270723 /nfs/dbraw/zinc/27/07/23/273270723.db2.gz CEPBJKXTFNIGOK-YOEHRIQHSA-N 2 0 327.432 1.519 20 0 EDADRP CC(C)C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000423321664 273516525 /nfs/dbraw/zinc/51/65/25/273516525.db2.gz NJUYHELKRGEMLN-GJZGRUSLSA-N 2 0 335.496 1.593 20 0 EDADRP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCCF ZINC000282793547 273719494 /nfs/dbraw/zinc/71/94/94/273719494.db2.gz QIURTALTPISFAR-KBPBESRZSA-N 2 0 325.428 1.752 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000283780793 273961942 /nfs/dbraw/zinc/96/19/42/273961942.db2.gz SSCCQNMMCAGQNJ-QGZVFWFLSA-N 2 0 348.491 1.172 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000363630996 276101400 /nfs/dbraw/zinc/10/14/00/276101400.db2.gz DFYSRJBZDYFAEM-UHFFFAOYSA-N 2 0 343.537 1.385 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CCC1 ZINC000333679782 276752479 /nfs/dbraw/zinc/75/24/79/276752479.db2.gz ZMIFRNJADSLUSP-HOTGVXAUSA-N 2 0 338.496 1.399 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])Cc2ccccc2)Cc2ccccc2C1 ZINC000269269821 276768892 /nfs/dbraw/zinc/76/88/92/276768892.db2.gz RMCCREIUSBMKKD-LJQANCHMSA-N 2 0 337.467 1.772 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000189462865 276819222 /nfs/dbraw/zinc/81/92/22/276819222.db2.gz ZJKDXNWGBYRJJY-ULQDDVLXSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000178857119 277029694 /nfs/dbraw/zinc/02/96/94/277029694.db2.gz IUJAUQZYDNAKAG-JYJNAYRXSA-N 2 0 325.497 1.580 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C1 ZINC000347676086 277309747 /nfs/dbraw/zinc/30/97/47/277309747.db2.gz XLCMJOKCXPDRIO-BRWVUGGUSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@@H](CC(N)=O)[NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000341897061 278224068 /nfs/dbraw/zinc/22/40/68/278224068.db2.gz LSMJGTFZIZJRQS-HNNXBMFYSA-N 2 0 349.475 1.530 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000351789668 279109554 /nfs/dbraw/zinc/10/95/54/279109554.db2.gz MESFMUQUIYSAJL-DOTOQJQBSA-N 2 0 338.496 1.365 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417748404 279361366 /nfs/dbraw/zinc/36/13/66/279361366.db2.gz IDLTZWPCTPFMHN-GVDBMIGSSA-N 2 0 339.528 1.029 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(C)CCCC[C@@H]2O)CC[NH2+]CC1 ZINC000422834462 279529205 /nfs/dbraw/zinc/52/92/05/279529205.db2.gz ZOKBBFOMSSBKNE-ZOBUZTSGSA-N 2 0 326.481 1.839 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C[C@H](C)O1 ZINC000363834553 288152060 /nfs/dbraw/zinc/15/20/60/288152060.db2.gz WGSUHYKPPNDTOH-JTDSTZFVSA-N 2 0 349.519 1.676 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H]3CCNC(=O)CC3)CC2)C[C@H](C)O1 ZINC000450340075 288153245 /nfs/dbraw/zinc/15/32/45/288153245.db2.gz DJJXLEKURZLPTJ-IXDOHACOSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+]1CCC(C)CC1 ZINC000333910233 279842508 /nfs/dbraw/zinc/84/25/08/279842508.db2.gz DWFHKIZFTLSGMM-MRXNPFEDSA-N 2 0 338.496 1.127 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)C[C@@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000269255178 281836853 /nfs/dbraw/zinc/83/68/53/281836853.db2.gz RSRAFKQBHWCWEQ-RTBURBONSA-N 2 0 345.487 1.954 20 0 EDADRP CN(CC[NH+](C)C)c1nc2c(c(N(C)CC[NH+](C)C)n1)SCC2 ZINC000288548479 288511713 /nfs/dbraw/zinc/51/17/13/288511713.db2.gz VLJYQMVOWOXUMC-UHFFFAOYSA-N 2 0 338.525 1.120 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000290063183 288831912 /nfs/dbraw/zinc/83/19/12/288831912.db2.gz UUQOCFFVBUFQOT-KBPBESRZSA-N 2 0 325.478 1.611 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000290080918 288835688 /nfs/dbraw/zinc/83/56/88/288835688.db2.gz WDLLLCSXAWYZRA-HOTGVXAUSA-N 2 0 349.475 1.640 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCOCC1 ZINC000237084591 289044293 /nfs/dbraw/zinc/04/42/93/289044293.db2.gz ZECOTTDORBFOAN-UHFFFAOYSA-N 2 0 345.487 1.535 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176635680 289068453 /nfs/dbraw/zinc/06/84/53/289068453.db2.gz UOOHUXWWYPXNEO-DOTOQJQBSA-N 2 0 339.528 1.184 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cccnc3-n3ccnc3)C2)C1 ZINC000291662639 289142273 /nfs/dbraw/zinc/14/22/73/289142273.db2.gz PAGPAQFHWVYHIN-SFHVURJKSA-N 2 0 340.431 1.505 20 0 EDADRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000291998928 289235871 /nfs/dbraw/zinc/23/58/71/289235871.db2.gz XGOJTYIRHOQQDP-QZTJIDSGSA-N 2 0 333.476 1.905 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@H+](C)C1 ZINC000184586043 289277323 /nfs/dbraw/zinc/27/73/23/289277323.db2.gz XXCKRXLFPDJCHJ-HKUYNNGSSA-N 2 0 346.519 1.679 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@@H]3CCO[C@@H]3C)CC2)cc1 ZINC000292302455 289310706 /nfs/dbraw/zinc/31/07/06/289310706.db2.gz MUQWSAKPOQQLDO-IEBWSBKVSA-N 2 0 345.487 1.796 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420305284 289353251 /nfs/dbraw/zinc/35/32/51/289353251.db2.gz KBCYPWYWECQNOH-CADBVGFASA-N 2 0 344.503 1.465 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CCSC1 ZINC000417823074 289399481 /nfs/dbraw/zinc/39/94/81/289399481.db2.gz JHRBRBWBRRDZEC-HOTGVXAUSA-N 2 0 326.510 1.209 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417866389 293290064 /nfs/dbraw/zinc/29/00/64/293290064.db2.gz CFOZALKZHOMEBX-NVXWUHKLSA-N 2 0 326.485 1.032 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCCN(C(=O)C[NH3+])C2)c2cc(F)ccc2C[NH2+]1 ZINC000333203126 297012630 /nfs/dbraw/zinc/01/26/30/297012630.db2.gz YMSQUCWCONLNQV-ZIAGYGMSSA-N 2 0 334.439 1.321 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418695335 304529229 /nfs/dbraw/zinc/52/92/29/304529229.db2.gz JIQFWYIKWQQBQQ-KBUPBQIOSA-N 2 0 326.485 1.253 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418836034 304537848 /nfs/dbraw/zinc/53/78/48/304537848.db2.gz OTKPYSOTWPFPPJ-OAHLLOKOSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)cc1 ZINC000417836230 299003538 /nfs/dbraw/zinc/00/35/38/299003538.db2.gz UUERAPPLCFNRKF-GUYCJALGSA-N 2 0 336.505 1.943 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737724 300513838 /nfs/dbraw/zinc/51/38/38/300513838.db2.gz OCFDRHCIJNVOMM-WMLDXEAASA-N 2 0 330.476 1.525 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccccc1 ZINC000420033198 304731026 /nfs/dbraw/zinc/73/10/26/304731026.db2.gz GVROMKPZNMXTPC-PKOBYXMFSA-N 2 0 335.492 1.888 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420311789 304748956 /nfs/dbraw/zinc/74/89/56/304748956.db2.gz ROKMFUAJJYSUAJ-ZWKOTPCHSA-N 2 0 332.492 1.479 20 0 EDADRP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420317367 304750982 /nfs/dbraw/zinc/75/09/82/304750982.db2.gz MWXPUWVUQKVWPP-CVEARBPZSA-N 2 0 348.466 1.770 20 0 EDADRP Cc1ccc2nc(CNC(=O)N[C@H]3CCC[N@H+](CCCO)C3)cn2c1 ZINC000297316236 303385089 /nfs/dbraw/zinc/38/50/89/303385089.db2.gz IPWHCPAXGUNQQX-HNNXBMFYSA-N 2 0 345.447 1.289 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000414860388 447331948 /nfs/dbraw/zinc/33/19/48/447331948.db2.gz VGKGZRRPPXSGBT-QGZVFWFLSA-N 2 0 344.459 1.431 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COCc1ccccc1 ZINC000299440650 303619318 /nfs/dbraw/zinc/61/93/18/303619318.db2.gz WQHLPZUDMZWZHH-UHFFFAOYSA-N 2 0 335.492 1.935 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000414869576 447335644 /nfs/dbraw/zinc/33/56/44/447335644.db2.gz RKLRXDJABRADJZ-SLFFLAALSA-N 3 0 328.504 1.392 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000414876125 447339107 /nfs/dbraw/zinc/33/91/07/447339107.db2.gz KAUBVCNAAKJPLP-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C1CCCC1 ZINC000414880589 447340889 /nfs/dbraw/zinc/34/08/89/447340889.db2.gz QLZZONGMYZYZJI-UHFFFAOYSA-N 2 0 344.459 1.261 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000423000407 304882991 /nfs/dbraw/zinc/88/29/91/304882991.db2.gz GSWWCCZPZYOXOI-YESZJQIVSA-N 2 0 348.443 1.729 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423278789 304890904 /nfs/dbraw/zinc/89/09/04/304890904.db2.gz RODKNBGUQJPGSQ-QWHCGFSZSA-N 2 0 342.281 1.979 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423299115 304891612 /nfs/dbraw/zinc/89/16/12/304891612.db2.gz BKMOHOATAYYIEA-KRWDZBQOSA-N 2 0 333.480 1.658 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000423372278 304893567 /nfs/dbraw/zinc/89/35/67/304893567.db2.gz IEJNWGREHPUJPB-DNVCBOLYSA-N 2 0 345.487 1.648 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)c1 ZINC000423490671 304897450 /nfs/dbraw/zinc/89/74/50/304897450.db2.gz XWXUMYJDVXHWPF-ZFWWWQNUSA-N 2 0 325.478 1.778 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000423755115 304908746 /nfs/dbraw/zinc/90/87/46/304908746.db2.gz DFXVBEZRGOFRSD-OAHLLOKOSA-N 2 0 327.469 1.237 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000424017006 304925398 /nfs/dbraw/zinc/92/53/98/304925398.db2.gz FFYZFLVRBNVINT-WMZOPIPTSA-N 3 0 344.503 1.484 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)CC1 ZINC000429684287 305034939 /nfs/dbraw/zinc/03/49/39/305034939.db2.gz MHLFMQCAJRNQRS-LSDHHAIUSA-N 2 0 337.430 1.790 20 0 EDADRP CN(CCCOc1ccc(F)cc1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430602358 305058155 /nfs/dbraw/zinc/05/81/55/305058155.db2.gz GWNSCKBZTAXFPN-UHFFFAOYSA-N 2 0 337.439 1.724 20 0 EDADRP COc1ccc(CC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430609386 305058501 /nfs/dbraw/zinc/05/85/01/305058501.db2.gz HMGLTKDXSBHMSE-KRWDZBQOSA-N 2 0 331.460 1.382 20 0 EDADRP Cc1ccccc1CN1CCN(C(=O)C[NH+]2CCC(C[NH3+])CC2)CC1 ZINC000430614206 305059052 /nfs/dbraw/zinc/05/90/52/305059052.db2.gz YRDMSPCSUXHROP-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000430630195 305060217 /nfs/dbraw/zinc/06/02/17/305060217.db2.gz ROXYEFCELOOXSE-UHFFFAOYSA-N 2 0 326.444 1.723 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)COC1C[NH2+]C1 ZINC000430844412 305065838 /nfs/dbraw/zinc/06/58/38/305065838.db2.gz LHJNQMVLNZUPDO-UHFFFAOYSA-N 2 0 345.447 1.305 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)Nc1cccc2nsnc21 ZINC000431027447 305073058 /nfs/dbraw/zinc/07/30/58/305073058.db2.gz JLBYVBFMDYWEMM-UHFFFAOYSA-N 2 0 331.445 1.705 20 0 EDADRP CN(CC[NH+]1CCCC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433089297 305099890 /nfs/dbraw/zinc/09/98/90/305099890.db2.gz FOKIXLMBWIFJJK-UHFFFAOYSA-N 2 0 325.478 1.465 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433125296 305101094 /nfs/dbraw/zinc/10/10/94/305101094.db2.gz JCIHKWRBCHCCPI-INIZCTEOSA-N 3 0 338.540 1.816 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H](CCO)c2ccccc2)CC1 ZINC000433149150 305101775 /nfs/dbraw/zinc/10/17/75/305101775.db2.gz CTWKHPKVGAEMSR-QGZVFWFLSA-N 2 0 333.476 1.472 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cc(=O)[nH]c3ccccc23)CC1 ZINC000433148228 305101819 /nfs/dbraw/zinc/10/18/19/305101819.db2.gz QOJAYCIGANYJRY-UHFFFAOYSA-N 2 0 342.443 1.760 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H](C[NH3+])C(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000433161746 305102209 /nfs/dbraw/zinc/10/22/09/305102209.db2.gz YHDJYCFOLVNRIG-HOTGVXAUSA-N 2 0 347.507 1.605 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433385494 305107252 /nfs/dbraw/zinc/10/72/52/305107252.db2.gz YIJUKMSZVGGSSB-OAHLLOKOSA-N 2 0 334.468 1.149 20 0 EDADRP O=C(c1ncn([C@H]2CCC[NH2+]C2)n1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000433408511 305108286 /nfs/dbraw/zinc/10/82/86/305108286.db2.gz CIJKGRVILUYUOX-CVEARBPZSA-N 2 0 346.479 1.151 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433927485 305114767 /nfs/dbraw/zinc/11/47/67/305114767.db2.gz SBAFIFPROFEVAR-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000438201374 305182986 /nfs/dbraw/zinc/18/29/86/305182986.db2.gz PQZODCKCVYUCJE-KRWDZBQOSA-N 2 0 337.483 1.736 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441236288 305219305 /nfs/dbraw/zinc/21/93/05/305219305.db2.gz ZDPXIIJUQXSOSW-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444266341 305245063 /nfs/dbraw/zinc/24/50/63/305245063.db2.gz NTFUAAUKSHXLGY-QUCCMNQESA-N 2 0 342.487 1.315 20 0 EDADRP COc1ccc(-n2cc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)cn2)cc1 ZINC000449133609 305307380 /nfs/dbraw/zinc/30/73/80/305307380.db2.gz DWQUEUQVQKGEOK-INIZCTEOSA-N 2 0 343.475 1.606 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000449148587 305307975 /nfs/dbraw/zinc/30/79/75/305307975.db2.gz KTIJZHBPHAZBLU-MRXNPFEDSA-N 2 0 325.497 1.773 20 0 EDADRP CO[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000451577631 305354766 /nfs/dbraw/zinc/35/47/66/305354766.db2.gz VQUZTNBNEQTYCG-CGTJXYLNSA-N 2 0 333.476 1.762 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000453085297 305405210 /nfs/dbraw/zinc/40/52/10/305405210.db2.gz GALKHSJEXFKOQB-OAHLLOKOSA-N 2 0 341.459 1.489 20 0 EDADRP C[C@H]1C[N@H+](CCCNCc2cc(C3CC[NH2+]CC3)no2)CCCO1 ZINC000425897294 447353874 /nfs/dbraw/zinc/35/38/74/447353874.db2.gz STHDISSCUMZZAT-HNNXBMFYSA-N 2 0 336.480 1.732 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2CC)c1 ZINC000414908152 447352421 /nfs/dbraw/zinc/35/24/21/447352421.db2.gz BBZHDPJTGONFIL-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3[NH2+]CCCC3(C)C)cn2)CC1 ZINC000521609783 305790847 /nfs/dbraw/zinc/79/08/47/305790847.db2.gz ROGOLCPIBKZJOR-INIZCTEOSA-N 2 0 331.464 1.550 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000529317928 305908438 /nfs/dbraw/zinc/90/84/38/305908438.db2.gz XHNXVAIVSYEKSH-GOSISDBHSA-N 2 0 344.503 1.725 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000449129652 447366162 /nfs/dbraw/zinc/36/61/62/447366162.db2.gz DCGBPKAUUPLAKL-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)C[C@@H](C)O1 ZINC000425955322 447366165 /nfs/dbraw/zinc/36/61/65/447366165.db2.gz YZMDTAHZSXXVKY-GPMSIDNRSA-N 2 0 349.519 1.961 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000414941470 447366438 /nfs/dbraw/zinc/36/64/38/447366438.db2.gz CQWDADPRSFQTJH-LSDHHAIUSA-N 2 0 332.448 1.334 20 0 EDADRP CC(=O)NCC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000542467322 306054299 /nfs/dbraw/zinc/05/42/99/306054299.db2.gz IXDHCQMRKXLVMZ-UHFFFAOYSA-N 2 0 327.432 1.924 20 0 EDADRP CC(C)O[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000545944951 306087933 /nfs/dbraw/zinc/08/79/33/306087933.db2.gz BZAYUELCRKKKHL-HOTGVXAUSA-N 2 0 342.528 1.713 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000552155314 306176372 /nfs/dbraw/zinc/17/63/72/306176372.db2.gz PTQGRHDCXSZRLB-ROUUACIJSA-N 2 0 333.476 1.664 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000557232977 306227007 /nfs/dbraw/zinc/22/70/07/306227007.db2.gz MXTVFWZBXJMUHS-TTZDDIAXSA-N 2 0 349.504 1.133 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@H]([NH+](C)C)[C@@H](C)C1)CCC(F)(F)F ZINC000425981748 447373063 /nfs/dbraw/zinc/37/30/63/447373063.db2.gz OGKWLWBRDLZGEC-STQMWFEESA-N 2 0 338.418 1.852 20 0 EDADRP Cc1ncc(CN2CCN(C(=O)[C@@H]3CC[NH2+][C@@H]3C(C)C)CC2)s1 ZINC000377818329 447372712 /nfs/dbraw/zinc/37/27/12/447372712.db2.gz ZFONZJGIWBVADW-HZPDHXFCSA-N 2 0 336.505 1.730 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000414971969 447380130 /nfs/dbraw/zinc/38/01/30/447380130.db2.gz XCDQTHSJCXMQIW-ZDUSSCGKSA-N 2 0 325.840 1.495 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)(C)C)CC2)[C@@H](C)C1 ZINC000426036823 447382204 /nfs/dbraw/zinc/38/22/04/447382204.db2.gz PRWZCEFYMBLDBU-GOEBONIOSA-N 2 0 345.553 1.899 20 0 EDADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@]2(C)CC[NH2+]C2)n1 ZINC000415113609 447390247 /nfs/dbraw/zinc/39/02/47/447390247.db2.gz WSIFNGCRVDMTSH-GRDNDAEWSA-N 2 0 336.459 1.049 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419805311 447424011 /nfs/dbraw/zinc/42/40/11/447424011.db2.gz GXBQVTWEOPDUNO-JKSUJKDBSA-N 2 0 334.464 1.039 20 0 EDADRP CC[NH+]1CCC[C@@H]1CNc1cc(NC[C@@H]2CCC[N@H+]2CC)ncn1 ZINC000450219843 447435049 /nfs/dbraw/zinc/43/50/49/447435049.db2.gz XFSZSYFNQDMTAH-IYBDPMFKSA-N 2 0 332.496 2.269 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000047683920 441219456 /nfs/dbraw/zinc/21/94/56/441219456.db2.gz XLQQLURWPUZGCS-IAGOWNOFSA-N 2 0 342.528 1.904 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCC1 ZINC000073243148 441304272 /nfs/dbraw/zinc/30/42/72/441304272.db2.gz OVQLSTFGWZABIH-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1occc1Br ZINC000081750133 441307526 /nfs/dbraw/zinc/30/75/26/441307526.db2.gz GPKHVWZJVSHRKY-UHFFFAOYSA-N 2 0 332.242 1.608 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000063744209 441348673 /nfs/dbraw/zinc/34/86/73/441348673.db2.gz CZBSPFJSYRGRPY-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000073749356 441350132 /nfs/dbraw/zinc/35/01/32/441350132.db2.gz QGFBNLSNXKJNBM-YESZJQIVSA-N 2 0 338.496 1.365 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000083158863 441350852 /nfs/dbraw/zinc/35/08/52/441350852.db2.gz YSYQXZRXQQLGSQ-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000025702263 441353585 /nfs/dbraw/zinc/35/35/85/441353585.db2.gz WQQFAFBLJMWIFE-HNNXBMFYSA-N 2 0 346.475 1.996 20 0 EDADRP C[NH+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000074200732 441407589 /nfs/dbraw/zinc/40/75/89/441407589.db2.gz UYXDOSVGTMCOSH-SFHVURJKSA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccccc3C)C2)CC1 ZINC000107369558 441413295 /nfs/dbraw/zinc/41/32/95/441413295.db2.gz PTTYHKNVRKNQLC-OALUTQOASA-N 2 0 347.503 1.447 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCCCC1 ZINC000458655478 447440405 /nfs/dbraw/zinc/44/04/05/447440405.db2.gz PFOMEUVQIWOXPO-DLBZAZTESA-N 2 0 340.512 1.397 20 0 EDADRP CCO[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000074604954 441448728 /nfs/dbraw/zinc/44/87/28/441448728.db2.gz VZHWXDUAAOGRAV-HOTGVXAUSA-N 2 0 340.512 1.469 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000109172771 441491335 /nfs/dbraw/zinc/49/13/35/441491335.db2.gz UNRKEBDCPYLIFX-CVEARBPZSA-N 2 0 328.501 1.109 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552967 441458947 /nfs/dbraw/zinc/45/89/47/441458947.db2.gz BTBRTFFXUNKJMF-QGZVFWFLSA-N 2 0 331.464 1.439 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC(=O)OC)CC1 ZINC000114475603 441662336 /nfs/dbraw/zinc/66/23/36/441662336.db2.gz DBWNONRPSFWYQH-CQSZACIVSA-N 2 0 327.469 1.108 20 0 EDADRP CC[C@@H](C)[C@H](NC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000158877970 441770220 /nfs/dbraw/zinc/77/02/20/441770220.db2.gz RIUHCWWVZDHBBO-ANQUJSFKSA-N 2 0 339.480 1.106 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137223497 441757349 /nfs/dbraw/zinc/75/73/49/441757349.db2.gz HZDRUSHFRAJKFR-HOCLYGCPSA-N 2 0 334.464 1.434 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCOCCO)CC1 ZINC000092365027 441793885 /nfs/dbraw/zinc/79/38/85/441793885.db2.gz YKKYTEAYMGINSL-UHFFFAOYSA-N 2 0 327.856 1.190 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077574834 441808342 /nfs/dbraw/zinc/80/83/42/441808342.db2.gz UMOFWNYECOXQTQ-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000415440203 447442324 /nfs/dbraw/zinc/44/23/24/447442324.db2.gz NQLOVNMXROGCBR-ZBFHGGJFSA-N 2 0 346.475 1.581 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)CC1 ZINC000122955891 441870066 /nfs/dbraw/zinc/87/00/66/441870066.db2.gz HEMGMAKCBYIHBB-SQWLQELKSA-N 2 0 331.526 1.509 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173975324 441871498 /nfs/dbraw/zinc/87/14/98/441871498.db2.gz SDNYGAANYRULES-HOCLYGCPSA-N 2 0 332.448 1.284 20 0 EDADRP Cc1noc(C)c1[C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077829552 441872731 /nfs/dbraw/zinc/87/27/31/441872731.db2.gz WYXFDMOENXMIOM-GFCCVEGCSA-N 2 0 325.457 1.487 20 0 EDADRP C[C@@H](C(=O)N1CCCC[C@H]1CN1CCOCC1)[NH+]1CCCCCC1 ZINC000124179442 441911413 /nfs/dbraw/zinc/91/14/13/441911413.db2.gz IOBHJTDPWOYENZ-ROUUACIJSA-N 2 0 337.508 1.964 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccnc(C2CC2)n1 ZINC000069700123 442013744 /nfs/dbraw/zinc/01/37/44/442013744.db2.gz NIWCREYLTBWIFR-INIZCTEOSA-N 2 0 345.491 1.842 20 0 EDADRP CC[C@H]1CC[N@H+](CC(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000125620581 442036792 /nfs/dbraw/zinc/03/67/92/442036792.db2.gz QAYZMCKUZYZXMM-KRWDZBQOSA-N 2 0 345.487 1.867 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079297021 442037164 /nfs/dbraw/zinc/03/71/64/442037164.db2.gz AECYJARQEMAIEX-MRXNPFEDSA-N 2 0 331.464 1.788 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000161890658 442041057 /nfs/dbraw/zinc/04/10/57/442041057.db2.gz IPTGGYPRMHXMLE-QGZVFWFLSA-N 2 0 347.507 1.426 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC[N@@H+]1C ZINC000126135364 442082719 /nfs/dbraw/zinc/08/27/19/442082719.db2.gz HIHZBTSMIPZOTH-YJBOKZPZSA-N 2 0 345.487 1.959 20 0 EDADRP C[C@H](CNC(=O)N1CCC(OCCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000175732981 442113982 /nfs/dbraw/zinc/11/39/82/442113982.db2.gz SWGJXVJCAPNLRD-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000151739569 442114508 /nfs/dbraw/zinc/11/45/08/442114508.db2.gz GEVDIICSOIDEFJ-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP CC[N@H+](CC(=O)Nc1ccc(C(=O)N2CCN(C)CC2)cc1)C1CC1 ZINC000151688026 442107026 /nfs/dbraw/zinc/10/70/26/442107026.db2.gz ZLCAGODHUVPDCQ-UHFFFAOYSA-N 2 0 344.459 1.497 20 0 EDADRP COCC[NH+]1CCC(NC(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000165852682 442211929 /nfs/dbraw/zinc/21/19/29/442211929.db2.gz ULKCQZYFLAZWEJ-UHFFFAOYSA-N 2 0 334.464 1.253 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000176344013 442212328 /nfs/dbraw/zinc/21/23/28/442212328.db2.gz BBDMLQSBYAMMGQ-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP Cn1ccnc1[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)C1CC1 ZINC000127580271 442213020 /nfs/dbraw/zinc/21/30/20/442213020.db2.gz MILFPMGFTXGTIX-SFHVURJKSA-N 2 0 340.475 1.808 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@@H]2CCC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167699378 442222406 /nfs/dbraw/zinc/22/24/06/442222406.db2.gz NISOLYYGLHGTJN-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)cc1 ZINC000168948634 442225173 /nfs/dbraw/zinc/22/51/73/442225173.db2.gz GKWPAPIABLAPTL-QGZVFWFLSA-N 2 0 335.492 1.736 20 0 EDADRP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H](C)[NH2+]1 ZINC000153805809 442304345 /nfs/dbraw/zinc/30/43/45/442304345.db2.gz IXKKEHLFCQVBQT-HZPDHXFCSA-N 2 0 330.476 1.256 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2ccccc2OCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000177096458 442296154 /nfs/dbraw/zinc/29/61/54/442296154.db2.gz AVWWXKAZWAEXSX-GJZGRUSLSA-N 2 0 331.460 1.982 20 0 EDADRP CCOc1cccc(CN2CCN(c3ccnc(N(C)C)n3)CC2)n1 ZINC000129165732 442304218 /nfs/dbraw/zinc/30/42/18/442304218.db2.gz XDGJHGMTDAYGQT-UHFFFAOYSA-N 2 0 342.447 1.659 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000171190158 442325113 /nfs/dbraw/zinc/32/51/13/442325113.db2.gz UNTFLXHVACHVHV-UHFFFAOYSA-N 2 0 342.528 1.905 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000171200907 442327141 /nfs/dbraw/zinc/32/71/41/442327141.db2.gz USRCNEDCDWQBEA-IYBDPMFKSA-N 2 0 342.528 1.620 20 0 EDADRP COc1cc(OC)c(OC)cc1CN(CCO)C1CC[NH+](C)CC1 ZINC000155507990 442403798 /nfs/dbraw/zinc/40/37/98/442403798.db2.gz DXKAHQFYXPKJEL-UHFFFAOYSA-N 2 0 338.448 1.601 20 0 EDADRP Cc1nc(CN2CCC(C(=O)NCC[NH+]3CCCC3)CC2)cs1 ZINC000171743965 442376134 /nfs/dbraw/zinc/37/61/34/442376134.db2.gz GXAZVHXPRDCRCT-UHFFFAOYSA-N 2 0 336.505 1.876 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCc2ccccc2C1 ZINC000155256726 442383983 /nfs/dbraw/zinc/38/39/83/442383983.db2.gz RMRDYQACTBKDNH-KRWDZBQOSA-N 2 0 346.519 1.926 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318676 442387324 /nfs/dbraw/zinc/38/73/24/442387324.db2.gz ZPTXYWQWLKSABF-QZTJIDSGSA-N 2 0 341.540 1.824 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000132239149 442389685 /nfs/dbraw/zinc/38/96/85/442389685.db2.gz UPSHLDMPCNYZIV-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000177971446 442398348 /nfs/dbraw/zinc/39/83/48/442398348.db2.gz NDWUBFLRBVKRAS-AEFFLSMTSA-N 2 0 334.508 1.987 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000155779371 442426672 /nfs/dbraw/zinc/42/66/72/442426672.db2.gz NCUCQQLDLOMKOK-LPHOPBHVSA-N 2 0 346.519 1.814 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CCCCN2CCOCC2)C1 ZINC000178644990 442451286 /nfs/dbraw/zinc/45/12/86/442451286.db2.gz FGSJXSGAZHZFJX-GOSISDBHSA-N 2 0 339.524 1.973 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000178865681 442508032 /nfs/dbraw/zinc/50/80/32/442508032.db2.gz DARMLGAFQLGRHT-ZBFHGGJFSA-N 2 0 346.479 1.210 20 0 EDADRP C[N@H+](CCN1CC[NH+](CC2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000178980398 442544012 /nfs/dbraw/zinc/54/40/12/442544012.db2.gz GIAZMTGMQNLARX-UHFFFAOYSA-N 3 0 330.520 1.736 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000172810588 442547321 /nfs/dbraw/zinc/54/73/21/442547321.db2.gz KDUSHAGPWAXRTK-UHFFFAOYSA-N 2 0 333.480 1.050 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000186569919 442562439 /nfs/dbraw/zinc/56/24/39/442562439.db2.gz TTXBXTJYOOCNDY-AWEZNQCLSA-N 2 0 336.446 1.629 20 0 EDADRP CCO[C@H]1C[C@](CO)([NH2+]Cc2ccc(-n3ccnc3)nc2)C1(C)C ZINC000186596101 442569136 /nfs/dbraw/zinc/56/91/36/442569136.db2.gz OJFSBPHVMNQWPF-MAUKXSAKSA-N 2 0 330.432 1.923 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCn2c(C)csc2=O)[C@H](C)C1 ZINC000187016269 442646062 /nfs/dbraw/zinc/64/60/62/442646062.db2.gz LRXVRRMFMAYHDI-ZBFHGGJFSA-N 2 0 341.521 1.945 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](COC)C2CCOCC2)CC1 ZINC000187956490 442700248 /nfs/dbraw/zinc/70/02/48/442700248.db2.gz HLWUXJRYQTWQES-SJLPKXTDSA-N 2 0 327.513 1.291 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[NH2+]CCO1 ZINC000188135058 442714771 /nfs/dbraw/zinc/71/47/71/442714771.db2.gz GDMYBJDDUUOQQM-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000182596809 442792504 /nfs/dbraw/zinc/79/25/04/442792504.db2.gz WAFUGNLRFVHLBK-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000188553771 442763101 /nfs/dbraw/zinc/76/31/01/442763101.db2.gz XXGZBXUMVULHKQ-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000246433349 442781145 /nfs/dbraw/zinc/78/11/45/442781145.db2.gz TVPSCMKXVQCJHU-BBWFWOEESA-N 2 0 342.528 1.620 20 0 EDADRP C[C@H](O)C[C@@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000246744327 442809974 /nfs/dbraw/zinc/80/99/74/442809974.db2.gz PSQHBJQSNHJNBY-XSLAGTTESA-N 2 0 328.497 1.474 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)C[C@H](C)O1 ZINC000188790947 442813831 /nfs/dbraw/zinc/81/38/31/442813831.db2.gz AIRIGJRQTRCOFR-HDEZJCGLSA-N 2 0 341.471 1.424 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)/C=C/C[NH+](C)C)c2)CCO1 ZINC000265616511 442846732 /nfs/dbraw/zinc/84/67/32/442846732.db2.gz GLCUSBLJTJFWLF-WHWKNOJMSA-N 2 0 331.460 1.641 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000194367363 442883971 /nfs/dbraw/zinc/88/39/71/442883971.db2.gz VBRCEARWFHNPSJ-LBPRGKRZSA-N 2 0 346.460 1.152 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620199 442908870 /nfs/dbraw/zinc/90/88/70/442908870.db2.gz ZZFRILUEBGAUMQ-LZLYRXPVSA-N 2 0 340.508 1.786 20 0 EDADRP COCCN1CC[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000268867869 443131450 /nfs/dbraw/zinc/13/14/50/443131450.db2.gz FSWCOBKRRJHRKY-FUHWJXTLSA-N 2 0 335.492 1.998 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)c2csc(CC[NH3+])n2)cc1 ZINC000262046208 443181641 /nfs/dbraw/zinc/18/16/41/443181641.db2.gz UMAOFFJFEZBSOK-INIZCTEOSA-N 2 0 344.484 1.993 20 0 EDADRP O=C(CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1)N1CC[NH2+]CC1 ZINC000262232130 443186764 /nfs/dbraw/zinc/18/67/64/443186764.db2.gz VLARIIAHNBLWTO-GOSISDBHSA-N 2 0 331.460 1.142 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236941756 443152681 /nfs/dbraw/zinc/15/26/81/443152681.db2.gz LWXRYUAZCBGWJS-UHFFFAOYSA-N 2 0 344.507 1.784 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000236971667 443154600 /nfs/dbraw/zinc/15/46/00/443154600.db2.gz VTEYUMUKFFNUTM-YJBOKZPZSA-N 2 0 330.476 1.016 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000245382825 443220533 /nfs/dbraw/zinc/22/05/33/443220533.db2.gz LOUZAIHWDCZVJK-OWCLPIDISA-N 2 0 325.497 1.865 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3C[NH2+]CCO3)c2)CC1 ZINC000269236684 443244203 /nfs/dbraw/zinc/24/42/03/443244203.db2.gz HFNYMJPERPXAMU-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000269230817 443242079 /nfs/dbraw/zinc/24/20/79/443242079.db2.gz HZHCDWHAJXNPAQ-GOSISDBHSA-N 2 0 331.460 1.188 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(C[N@H+]3C[C@@H](C)[C@H](CO)C3)cc2)C[C@H]1CO ZINC000190861624 443198409 /nfs/dbraw/zinc/19/84/09/443198409.db2.gz XSVZJNJHRYCLMQ-YKCBXCCJSA-N 2 0 332.488 1.807 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000397547011 319135300 /nfs/dbraw/zinc/13/53/00/319135300.db2.gz OXDAMXGYQMATLH-CQSZACIVSA-N 2 0 327.469 1.432 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)Cn2cc(Br)ccc2=O)C1 ZINC000414064054 319314736 /nfs/dbraw/zinc/31/47/36/319314736.db2.gz FHQORNRUNKEDBX-QWHCGFSZSA-N 2 0 342.281 1.931 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000414693083 319343445 /nfs/dbraw/zinc/34/34/45/319343445.db2.gz BSUGQOASYKUWTJ-KBPBESRZSA-N 2 0 332.448 1.635 20 0 EDADRP Cc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c(OCC[NH+](C)C)c1 ZINC000415197248 319349796 /nfs/dbraw/zinc/34/97/96/319349796.db2.gz AFEAMTPMHXEPGN-GASCZTMLSA-N 2 0 332.448 1.619 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415221024 319353197 /nfs/dbraw/zinc/35/31/97/319353197.db2.gz OOGDFTFWTOWIAZ-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000415900900 319382873 /nfs/dbraw/zinc/38/28/73/319382873.db2.gz MLLQTSZKEUBFBQ-GOSISDBHSA-N 2 0 347.507 1.800 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)CCN1C1CC[NH+](C)CC1 ZINC000415958940 319385357 /nfs/dbraw/zinc/38/53/57/319385357.db2.gz OJHWGSIFJMVALE-OAHLLOKOSA-N 2 0 345.491 1.778 20 0 EDADRP CC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000269308593 443276707 /nfs/dbraw/zinc/27/67/07/443276707.db2.gz VBVUCCYUPZFTLM-SFHVURJKSA-N 2 0 332.492 1.751 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000269313294 443278245 /nfs/dbraw/zinc/27/82/45/443278245.db2.gz XXVMVOSTGCEKCD-GOSISDBHSA-N 2 0 332.492 1.688 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[N@@H+]3CCC[C@H]3C2)Cc2ccccc2C1 ZINC000266891198 443281939 /nfs/dbraw/zinc/28/19/39/443281939.db2.gz VBMRSJNJDWDVOX-SFHVURJKSA-N 2 0 342.487 1.575 20 0 EDADRP CCOC(=O)[C@@H]1CCCCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000191416603 443292412 /nfs/dbraw/zinc/29/24/12/443292412.db2.gz VZEAUQYXJZBAAW-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000269277972 443263419 /nfs/dbraw/zinc/26/34/19/443263419.db2.gz YPPIURAJWCMHIX-MAUKXSAKSA-N 2 0 347.459 1.724 20 0 EDADRP C[NH+](C)CCCCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000266845302 443265391 /nfs/dbraw/zinc/26/53/91/443265391.db2.gz PGZAIPPOPCCCBC-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000191493963 443303148 /nfs/dbraw/zinc/30/31/48/443303148.db2.gz MOKSMHFOOLNSNM-HZPDHXFCSA-N 2 0 333.542 1.156 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000416814591 319463273 /nfs/dbraw/zinc/46/32/73/319463273.db2.gz VPLMJRWORZADCN-INIZCTEOSA-N 2 0 340.512 1.502 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@@H]21)Cc1ccccc1 ZINC000272455575 443324726 /nfs/dbraw/zinc/32/47/26/443324726.db2.gz NGPJUQNYLRWKJA-MSOLQXFVSA-N 2 0 330.476 1.854 20 0 EDADRP C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272490585 443337462 /nfs/dbraw/zinc/33/74/62/443337462.db2.gz CCGRYVICRJNSGO-RNIPGJKVSA-N 2 0 345.487 1.468 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000264686800 443374388 /nfs/dbraw/zinc/37/43/88/443374388.db2.gz CLIPRBMXTWNDOB-SFHVURJKSA-N 2 0 347.507 1.054 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419022006 319543454 /nfs/dbraw/zinc/54/34/54/319543454.db2.gz UIZNSNMGDUUTRT-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000264774957 443418829 /nfs/dbraw/zinc/41/88/29/443418829.db2.gz VWPLBGNDVAZIOE-SFHVURJKSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000278774370 443434065 /nfs/dbraw/zinc/43/40/65/443434065.db2.gz YPNXWILNRKVDPW-JXFKEZNVSA-N 2 0 347.503 1.847 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)ccc1F ZINC000278974691 443479074 /nfs/dbraw/zinc/47/90/74/443479074.db2.gz JKDHHADWGFUPFX-ZDUSSCGKSA-N 2 0 345.422 1.617 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c3c(nn2C)CCCC3)CC[NH2+]CC1 ZINC000423140600 319752678 /nfs/dbraw/zinc/75/26/78/319752678.db2.gz MUDVDWDDHDKQIW-AWEZNQCLSA-N 2 0 348.491 1.710 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423262299 319759874 /nfs/dbraw/zinc/75/98/74/319759874.db2.gz VADIALGBXAJZJJ-UONOGXRCSA-N 2 0 325.478 1.635 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H]3C)cc2)CC1 ZINC000423637246 319796007 /nfs/dbraw/zinc/79/60/07/319796007.db2.gz BZIXWRRXXMQVDI-QAPCUYQASA-N 2 0 330.476 1.779 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000423742448 319809387 /nfs/dbraw/zinc/80/93/87/319809387.db2.gz LHDJNZCIIDQZEM-IBGZPJMESA-N 2 0 333.476 1.723 20 0 EDADRP O=C1CCN(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000273096576 443538061 /nfs/dbraw/zinc/53/80/61/443538061.db2.gz OXMSJHMPKWYDFK-HXUWFJFHSA-N 2 0 345.487 1.644 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@@H]1[NH3+] ZINC000429176499 319923508 /nfs/dbraw/zinc/92/35/08/319923508.db2.gz OIRMFRFKUABHPT-WMZOPIPTSA-N 2 0 330.476 1.394 20 0 EDADRP C[C@@H]([NH2+]CCCNS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272385456 443609794 /nfs/dbraw/zinc/60/97/94/443609794.db2.gz CEMZRMXWDGLNHD-NVXWUHKLSA-N 2 0 339.505 1.426 20 0 EDADRP COC(=O)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)CC(C)C ZINC000433143349 319971952 /nfs/dbraw/zinc/97/19/52/319971952.db2.gz YKXHMAIJECHASI-AWEZNQCLSA-N 2 0 327.469 1.141 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000434871527 320006270 /nfs/dbraw/zinc/00/62/70/320006270.db2.gz WXCUVIWESGJCHT-INIZCTEOSA-N 2 0 325.522 1.852 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC000441221243 320093099 /nfs/dbraw/zinc/09/30/99/320093099.db2.gz CRIFRSHBTLVZKO-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[NH+]3CCC3)CC2)c1 ZINC000443958063 320116816 /nfs/dbraw/zinc/11/68/16/320116816.db2.gz MQDQJLKBCBQJNK-UHFFFAOYSA-N 2 0 330.476 1.329 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000444268282 320123657 /nfs/dbraw/zinc/12/36/57/320123657.db2.gz MHSJHLGIJNOTGJ-FUHWJXTLSA-N 2 0 334.508 1.053 20 0 EDADRP C[C@H](F)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000454417861 320288345 /nfs/dbraw/zinc/28/83/45/320288345.db2.gz GBFVUOVRUUXVDM-HNNXBMFYSA-N 2 0 337.443 1.641 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457702131 320332337 /nfs/dbraw/zinc/33/23/37/320332337.db2.gz BJVVTRUBCUIESN-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457702133 320332350 /nfs/dbraw/zinc/33/23/50/320332350.db2.gz BJVVTRUBCUIESN-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCC[C@H]1C ZINC000457700080 320332398 /nfs/dbraw/zinc/33/23/98/320332398.db2.gz GYCWTEGPEVQFBM-BRWVUGGUSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000457706181 320332473 /nfs/dbraw/zinc/33/24/73/320332473.db2.gz HRVMVGLTVZNJKZ-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000458851062 320343079 /nfs/dbraw/zinc/34/30/79/320343079.db2.gz URSKGCBLFRSTCG-QGZVFWFLSA-N 2 0 338.496 1.369 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CN(C)C(=O)O2)CC1 ZINC000495728969 320398475 /nfs/dbraw/zinc/39/84/75/320398475.db2.gz NHYHHMRNAHNWLZ-MRXNPFEDSA-N 2 0 327.469 1.507 20 0 EDADRP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000496730937 320413804 /nfs/dbraw/zinc/41/38/04/320413804.db2.gz PZRZNEXAQQJHMK-CYBMUJFWSA-N 2 0 327.473 1.357 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(C)(C)N2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000516863654 320442103 /nfs/dbraw/zinc/44/21/03/320442103.db2.gz BWUXTMNWQNHZNZ-INIZCTEOSA-N 2 0 348.491 1.525 20 0 EDADRP C[NH+](C)CCOc1cnccc1C[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000517360881 320448832 /nfs/dbraw/zinc/44/88/32/320448832.db2.gz BMBXDZFINHODMA-SFHVURJKSA-N 2 0 347.434 1.854 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000283801184 443724175 /nfs/dbraw/zinc/72/41/75/443724175.db2.gz WDLBAMMXVWJPBA-MRXNPFEDSA-N 2 0 348.491 1.081 20 0 EDADRP CN(C)C(=O)COc1ccccc1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292786331 443843147 /nfs/dbraw/zinc/84/31/47/443843147.db2.gz LYLZUKPQVSHZTF-LJQANCHMSA-N 2 0 331.460 1.681 20 0 EDADRP Cc1cccn2cc(COc3ccc(C[NH2+]C[C@H](O)CO)cc3)nc12 ZINC000276735626 443807521 /nfs/dbraw/zinc/80/75/21/443807521.db2.gz JUFIBVTWFOVPSG-KRWDZBQOSA-N 2 0 341.411 1.665 20 0 EDADRP CSc1ncc(Cl)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000531118978 320649457 /nfs/dbraw/zinc/64/94/57/320649457.db2.gz QGXFQPQBQYVLCJ-UHFFFAOYSA-N 2 0 345.900 1.417 20 0 EDADRP C[C@@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000292913912 443877627 /nfs/dbraw/zinc/87/76/27/443877627.db2.gz FOPHEHJXNPAOPA-XFQXTVEOSA-N 2 0 329.488 1.620 20 0 EDADRP C[C@@H](O)C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285314425 443938984 /nfs/dbraw/zinc/93/89/84/443938984.db2.gz NDMIGIUCEMJUGH-LJQANCHMSA-N 2 0 346.519 1.197 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000293068914 443916973 /nfs/dbraw/zinc/91/69/73/443916973.db2.gz SATFFJUVWMQRDA-IRXDYDNUSA-N 2 0 325.416 1.854 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000293274218 443969326 /nfs/dbraw/zinc/96/93/26/443969326.db2.gz UOKRWZPVORDBOX-HNNXBMFYSA-N 2 0 348.491 1.781 20 0 EDADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000277305736 443958343 /nfs/dbraw/zinc/95/83/43/443958343.db2.gz ULALJJSNMFPNQV-QZTJIDSGSA-N 2 0 336.476 1.989 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1Cc2ccccc2O1 ZINC000299442877 444047749 /nfs/dbraw/zinc/04/77/49/444047749.db2.gz WGTZJEHTAMPEBB-SFHVURJKSA-N 2 0 333.476 1.722 20 0 EDADRP CCC[C@]1(CO)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000288905217 444010191 /nfs/dbraw/zinc/01/01/91/444010191.db2.gz SXLHYAMWIXHBRJ-ICSRJNTNSA-N 2 0 347.503 1.890 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1c[nH]c(=O)c2ccccc12 ZINC000555253486 320964808 /nfs/dbraw/zinc/96/48/08/320964808.db2.gz HPXLSXPQVNBMMK-UHFFFAOYSA-N 2 0 330.432 1.506 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)[C@H](c2ccccc2)C1 ZINC000299530235 444071645 /nfs/dbraw/zinc/07/16/45/444071645.db2.gz NANRVJOVZJEOHP-MOPGFXCFSA-N 2 0 344.503 1.576 20 0 EDADRP O=C(COCC1CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299551959 444076735 /nfs/dbraw/zinc/07/67/35/444076735.db2.gz LOOPWAYCWWQBGX-UHFFFAOYSA-N 2 0 332.448 1.137 20 0 EDADRP CN1CCC[N@H+](CCCN[C@H](c2nc[nH]n2)c2ccc(F)cc2)CC1 ZINC000293641857 444077773 /nfs/dbraw/zinc/07/77/73/444077773.db2.gz IDOBEAKTFUTWCZ-KRWDZBQOSA-N 2 0 346.454 1.650 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299553411 444078054 /nfs/dbraw/zinc/07/80/54/444078054.db2.gz QYCAQSWSJRXMCV-IBGZPJMESA-N 2 0 344.503 1.535 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000557241794 321001194 /nfs/dbraw/zinc/00/11/94/321001194.db2.gz HMMLYVMKSXGFCQ-HZMVEIRTSA-N 2 0 338.496 1.127 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1N[C@@H](C)C(=O)NCC(=O)OC ZINC000560407522 321026709 /nfs/dbraw/zinc/02/67/09/321026709.db2.gz YFLAKHQQEFQCFO-SOUVJXGZSA-N 2 0 327.469 1.154 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000563075832 321093969 /nfs/dbraw/zinc/09/39/69/321093969.db2.gz ULJKEZMYAYQQSC-ZACQAIPSSA-N 2 0 325.497 1.493 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000564865148 321153261 /nfs/dbraw/zinc/15/32/61/321153261.db2.gz WZIACARPWZPMDR-QUCCMNQESA-N 2 0 346.519 1.101 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000565226935 321176806 /nfs/dbraw/zinc/17/68/06/321176806.db2.gz PKRKFAKANUVILH-CRAIPNDOSA-N 2 0 330.476 1.949 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000565412854 321185432 /nfs/dbraw/zinc/18/54/32/321185432.db2.gz SEHSLELWLGWALV-ZACQAIPSSA-N 2 0 338.496 1.258 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000565881049 321204649 /nfs/dbraw/zinc/20/46/49/321204649.db2.gz BUCLSQDTMHMNSJ-LSDHHAIUSA-N 2 0 338.402 1.557 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000567585581 321247346 /nfs/dbraw/zinc/24/73/46/321247346.db2.gz KIEBXUZCIYQMOT-ROUUACIJSA-N 2 0 345.491 1.898 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000568293579 321286750 /nfs/dbraw/zinc/28/67/50/321286750.db2.gz BHAUNAZGRBPIBS-HZPDHXFCSA-N 2 0 340.512 1.055 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000569003989 321314620 /nfs/dbraw/zinc/31/46/20/321314620.db2.gz WMJBBHOWQRRNEV-HNNXBMFYSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000569966070 321332302 /nfs/dbraw/zinc/33/23/02/321332302.db2.gz BTHDJMBDEZRWMQ-OWCLPIDISA-N 2 0 348.495 1.128 20 0 EDADRP CC(C)c1ccc(O[C@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000570627030 321351294 /nfs/dbraw/zinc/35/12/94/321351294.db2.gz WMGCXAFNJLPEEF-MJGOQNOKSA-N 2 0 349.519 1.775 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570800458 321357836 /nfs/dbraw/zinc/35/78/36/321357836.db2.gz PQUQBVKTXBJPLT-BZSNNMDCSA-N 2 0 331.460 1.301 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570800460 321357873 /nfs/dbraw/zinc/35/78/73/321357873.db2.gz PQUQBVKTXBJPLT-OKZBNKHCSA-N 2 0 331.460 1.301 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000570942594 321365695 /nfs/dbraw/zinc/36/56/95/321365695.db2.gz KYPOCAOYINSBEF-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000571148199 321375084 /nfs/dbraw/zinc/37/50/84/321375084.db2.gz BNMSWZZLGPXHHW-DGCLKSJQSA-N 2 0 342.390 1.633 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000571345888 321383919 /nfs/dbraw/zinc/38/39/19/321383919.db2.gz UKHJIWLKDAIFGS-INIZCTEOSA-N 2 0 334.489 1.761 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000571676923 321396928 /nfs/dbraw/zinc/39/69/28/321396928.db2.gz RJMWHBOKKPBBLC-DYVFJYSZSA-N 2 0 325.416 1.535 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000290358619 444271479 /nfs/dbraw/zinc/27/14/79/444271479.db2.gz JIBWANYTYYTJBD-ZWKOTPCHSA-N 2 0 329.488 1.836 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[N@@H+]2CCCC[C@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000303032694 444232405 /nfs/dbraw/zinc/23/24/05/444232405.db2.gz XRNDDDIJHOYINR-BDXSIMOUSA-N 2 0 337.508 1.817 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000303271269 444235823 /nfs/dbraw/zinc/23/58/23/444235823.db2.gz JRMJUWSWMOPJLF-ZACQAIPSSA-N 2 0 339.524 1.801 20 0 EDADRP Cc1cc(F)ccc1[C@H](O)CN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000305711453 444274530 /nfs/dbraw/zinc/27/45/30/444274530.db2.gz FLTTUQVTRTVJBI-ZWKOTPCHSA-N 2 0 349.450 1.582 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297262043 444279306 /nfs/dbraw/zinc/27/93/06/444279306.db2.gz BTFZDDBILWPNQO-UHFFFAOYSA-N 2 0 344.463 1.160 20 0 EDADRP C[C@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000305834721 444282766 /nfs/dbraw/zinc/28/27/66/444282766.db2.gz WFXRQYGWCJODHK-HDMKZQKVSA-N 2 0 340.512 1.251 20 0 EDADRP CC1CC[NH+](Cc2cccc(C[NH2+]CCC(=O)NC(N)=O)c2)CC1 ZINC000578006389 321705831 /nfs/dbraw/zinc/70/58/31/321705831.db2.gz DLJISLFBYSVGTJ-UHFFFAOYSA-N 2 0 332.448 1.593 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000578130676 321726988 /nfs/dbraw/zinc/72/69/88/321726988.db2.gz WTKDNIZLIMEDKO-LSDHHAIUSA-N 2 0 348.491 1.568 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000578240054 321745541 /nfs/dbraw/zinc/74/55/41/321745541.db2.gz FWXNLMGAMCDWSJ-AABGKKOBSA-N 2 0 331.504 1.868 20 0 EDADRP C[C@H](CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C[NH+]1CCCC1 ZINC000326091761 444371757 /nfs/dbraw/zinc/37/17/57/444371757.db2.gz SFFDPEMBIMMXPO-RHSMWYFYSA-N 2 0 328.460 1.886 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000578771875 321829466 /nfs/dbraw/zinc/82/94/66/321829466.db2.gz HDENBZDXRUTWJY-UHFFFAOYSA-N 2 0 330.476 1.245 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000327247201 444381090 /nfs/dbraw/zinc/38/10/90/444381090.db2.gz NZNAFFQXYJXYOO-LJQANCHMSA-N 3 0 346.519 1.605 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000331099212 444393911 /nfs/dbraw/zinc/39/39/11/444393911.db2.gz AOSFBKGKQCHNDU-CZUORRHYSA-N 2 0 326.462 1.399 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N3CCCC[C@H]23)[C@@H](C)C1 ZINC000338009832 444486068 /nfs/dbraw/zinc/48/60/68/444486068.db2.gz WUPAVLKIINYBRW-WNRNVDISSA-N 2 0 337.508 1.866 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079131 322007305 /nfs/dbraw/zinc/00/73/05/322007305.db2.gz JMGQKDRKSHJGDJ-UYAOXDASSA-N 2 0 342.487 1.896 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000580292839 322032126 /nfs/dbraw/zinc/03/21/26/322032126.db2.gz RNORUDPKPGTKQG-WBVHZDCISA-N 2 0 346.475 1.883 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1Cl ZINC000580543693 322063912 /nfs/dbraw/zinc/06/39/12/322063912.db2.gz ODCGNSWNHSZJER-GJZGRUSLSA-N 2 0 341.883 1.305 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000580647878 322078368 /nfs/dbraw/zinc/07/83/68/322078368.db2.gz ZHFHUJNZFIVRHP-LSDHHAIUSA-N 2 0 326.485 1.001 20 0 EDADRP CCC(CC)[C@@H](CNC[C@@H](O)C[NH+]1CCN(C)CC1)[NH+]1CCCC1 ZINC000580709836 322085365 /nfs/dbraw/zinc/08/53/65/322085365.db2.gz OINCFVAVTAVQJQ-RTBURBONSA-N 2 0 340.556 1.085 20 0 EDADRP COC[C@]1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCC[NH2+]1 ZINC000581487544 322183475 /nfs/dbraw/zinc/18/34/75/322183475.db2.gz USFLBMMMKZHTEV-FUHWJXTLSA-N 2 0 332.448 1.023 20 0 EDADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000581713794 322211923 /nfs/dbraw/zinc/21/19/23/322211923.db2.gz INADTKOBDGCZRH-UHFFFAOYSA-N 2 0 344.459 1.119 20 0 EDADRP COc1ccccc1N1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)C1=O ZINC000342147711 444533558 /nfs/dbraw/zinc/53/35/58/444533558.db2.gz UXBAXFQMZZDOIG-MPTYRVRUSA-N 2 0 329.444 1.860 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000343819580 444609778 /nfs/dbraw/zinc/60/97/78/444609778.db2.gz JKGWSNPXRJKLKN-BHIYHBOVSA-N 2 0 342.487 1.156 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)([NH+](C)C)C1 ZINC000343836141 444619255 /nfs/dbraw/zinc/61/92/55/444619255.db2.gz VCVUFAQOSPLLND-UVKRDEOUSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000342373930 444663037 /nfs/dbraw/zinc/66/30/37/444663037.db2.gz NLVOWVCRZSNJJK-XLMAVXFVSA-N 2 0 337.508 1.532 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+]([C@@H]3CCC[C@H]3O)CC1)C2 ZINC000333882375 444707166 /nfs/dbraw/zinc/70/71/66/444707166.db2.gz WORSHLYCMSTJPQ-BHIYHBOVSA-N 2 0 346.471 1.966 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329781426 444714892 /nfs/dbraw/zinc/71/48/92/444714892.db2.gz NGRGZEOEWWVSPX-OAGGEKHMSA-N 2 0 336.480 1.566 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000333904808 444714995 /nfs/dbraw/zinc/71/49/95/444714995.db2.gz JNVUGVYSPFYCON-HOTGVXAUSA-N 2 0 338.496 1.461 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000341187154 444717635 /nfs/dbraw/zinc/71/76/35/444717635.db2.gz CGNCYVIZQDBDQF-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000333639124 444687144 /nfs/dbraw/zinc/68/71/44/444687144.db2.gz UFZYVNNABMHGLU-IAGOWNOFSA-N 2 0 338.496 1.543 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@@H](C)O1 ZINC000342452998 444697955 /nfs/dbraw/zinc/69/79/55/444697955.db2.gz XZIHATGAIREUKE-QZTJIDSGSA-N 2 0 339.524 1.530 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000342549516 444740450 /nfs/dbraw/zinc/74/04/50/444740450.db2.gz WFSMBROGYNHIKH-GUYCJALGSA-N 2 0 348.491 1.817 20 0 EDADRP CN(CCC[N@H+](C)Cc1cnn(C)c1C(F)(F)F)CC[NH+](C)C ZINC000344047215 444749052 /nfs/dbraw/zinc/74/90/52/444749052.db2.gz YTTKZLKKWPLMJO-UHFFFAOYSA-N 2 0 335.418 1.754 20 0 EDADRP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@@H+]3C)ncn2)C1 ZINC000334027698 444751706 /nfs/dbraw/zinc/75/17/06/444751706.db2.gz IMBWBFYMNLEQQR-YESZJQIVSA-N 2 0 347.507 1.994 20 0 EDADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000344070695 444764692 /nfs/dbraw/zinc/76/46/92/444764692.db2.gz VGIUNYHYRFUVOY-GOSISDBHSA-N 2 0 334.508 1.290 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H](C)[N@H+]1CCO ZINC000334072856 444770427 /nfs/dbraw/zinc/77/04/27/444770427.db2.gz ICXMMVCTENVVQG-GASCZTMLSA-N 2 0 338.496 1.100 20 0 EDADRP CCc1nccn1[C@H]1CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000334078130 444772117 /nfs/dbraw/zinc/77/21/17/444772117.db2.gz KNQIJDFYBDHSOO-INIZCTEOSA-N 2 0 349.479 1.514 20 0 EDADRP C[C@@H](O)C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000341217162 444734399 /nfs/dbraw/zinc/73/43/99/444734399.db2.gz RSQONTBVJRQSBT-JKSUJKDBSA-N 2 0 349.479 1.052 20 0 EDADRP C[C@@H](CNC(=O)N1CCO[C@H](C[NH+](C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000342657418 444800077 /nfs/dbraw/zinc/80/00/77/444800077.db2.gz LPIAYUYOBAPBMP-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000329996743 444804431 /nfs/dbraw/zinc/80/44/31/444804431.db2.gz PJINBBDIMOIBCD-CQSZACIVSA-N 2 0 332.510 1.025 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857636 444805539 /nfs/dbraw/zinc/80/55/39/444805539.db2.gz UCJWJVXANLRGOC-JYJNAYRXSA-N 2 0 331.526 1.463 20 0 EDADRP C[NH+](C)C[C@H]1CCN(c2cc(N3CC[C@H](C[NH+](C)C)C3)ncn2)C1 ZINC000338688215 444808719 /nfs/dbraw/zinc/80/87/19/444808719.db2.gz CSNWXFJRYWMVGI-HZPDHXFCSA-N 2 0 332.496 1.252 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(C)(C)C)C2)C1 ZINC000344164897 444817039 /nfs/dbraw/zinc/81/70/39/444817039.db2.gz PFODQFSVACADSN-DLBZAZTESA-N 2 0 339.524 1.827 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000344304410 444890116 /nfs/dbraw/zinc/89/01/16/444890116.db2.gz BMDJJHXLPZVZPR-UHFFFAOYSA-N 2 0 345.487 1.442 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCCOC3)c2)C1 ZINC000344405013 444945104 /nfs/dbraw/zinc/94/51/04/444945104.db2.gz GDSWIZHIBKTCLZ-OALUTQOASA-N 2 0 345.487 1.900 20 0 EDADRP CCc1oc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000338941737 444947727 /nfs/dbraw/zinc/94/77/27/444947727.db2.gz MPSJJBMPQQVXKW-CQSZACIVSA-N 2 0 337.464 1.744 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](CCO)COC)CC1 ZINC000344439110 444971945 /nfs/dbraw/zinc/97/19/45/444971945.db2.gz KWZNOJRNDLKHST-SFHVURJKSA-N 2 0 335.492 1.706 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000341647533 444932397 /nfs/dbraw/zinc/93/23/97/444932397.db2.gz VSFWFMDYTGBYSN-QGZVFWFLSA-N 2 0 339.524 1.925 20 0 EDADRP O=S1(=O)CCC[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000341880169 445050061 /nfs/dbraw/zinc/05/00/61/445050061.db2.gz ZLMMZHXURNBGNU-INIZCTEOSA-N 2 0 344.521 1.388 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000337380510 445056007 /nfs/dbraw/zinc/05/60/07/445056007.db2.gz IUSHGTBZTOJSDC-SFHVURJKSA-N 2 0 339.524 1.315 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092613 445057830 /nfs/dbraw/zinc/05/78/30/445057830.db2.gz CXFXADJJPBOIJA-ZWKOTPCHSA-N 2 0 336.524 1.249 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1O[C@H](C)C[C@@H]1C ZINC000337452082 445087850 /nfs/dbraw/zinc/08/78/50/445087850.db2.gz UNTWKILZMZHRNC-YLFCFFPRSA-N 2 0 325.497 1.674 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341904278 445063981 /nfs/dbraw/zinc/06/39/81/445063981.db2.gz YPVCCILAZSFIOC-OKZBNKHCSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@@H](C)O1 ZINC000337546673 445130228 /nfs/dbraw/zinc/13/02/28/445130228.db2.gz MUBNBGXBGUKWLP-VQHPVUNQSA-N 2 0 338.496 1.412 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCSC1 ZINC000343199963 445130443 /nfs/dbraw/zinc/13/04/43/445130443.db2.gz LCKZSDXCHRPQIT-KRWDZBQOSA-N 2 0 348.516 1.600 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000337499429 445105846 /nfs/dbraw/zinc/10/58/46/445105846.db2.gz BIONGIMHHJXWLM-QZTJIDSGSA-N 2 0 344.503 1.785 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+](CC)CC ZINC000345103750 445164474 /nfs/dbraw/zinc/16/44/74/445164474.db2.gz KHGHASAEIGKLBR-KZNAEPCWSA-N 2 0 338.540 1.591 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000343476917 445230305 /nfs/dbraw/zinc/23/03/05/445230305.db2.gz OOCXTMPPQZLBNN-AWEZNQCLSA-N 2 0 348.447 1.048 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347524227 445241092 /nfs/dbraw/zinc/24/10/92/445241092.db2.gz QCFKZXHPUNCZBU-HNNXBMFYSA-N 2 0 330.476 1.293 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343567964 445245854 /nfs/dbraw/zinc/24/58/54/445245854.db2.gz OMDJAWCGEAKMMF-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@H](OC)C[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123215 445280733 /nfs/dbraw/zinc/28/07/33/445280733.db2.gz DGFFEJVZELZVPV-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000351864519 445347328 /nfs/dbraw/zinc/34/73/28/445347328.db2.gz YKJKFVQWEYWLNH-DOTOQJQBSA-N 3 0 346.475 1.126 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354713198 445348311 /nfs/dbraw/zinc/34/83/11/445348311.db2.gz QKHBYHTZBYNPPV-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC)nc1 ZINC000351806604 445327565 /nfs/dbraw/zinc/32/75/65/445327565.db2.gz FYLDCUHGAGVHBK-MRXNPFEDSA-N 2 0 333.480 1.611 20 0 EDADRP [NH3+]CCOCC[NH+]1CCN(c2ccnc(-c3ccccc3)n2)CC1 ZINC000357082916 445416079 /nfs/dbraw/zinc/41/60/79/445416079.db2.gz PQPYWYUPEOVARD-UHFFFAOYSA-N 2 0 327.432 1.241 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362552363 445435171 /nfs/dbraw/zinc/43/51/71/445435171.db2.gz KZSMKKDGXOTEAS-XGUBFFRZSA-N 2 0 333.480 1.583 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564832 445442593 /nfs/dbraw/zinc/44/25/93/445442593.db2.gz OHQIKIBRDSVIHH-LSDHHAIUSA-N 2 0 333.480 1.729 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566024 445443416 /nfs/dbraw/zinc/44/34/16/445443416.db2.gz DVYCIXVZAIXHNT-LSDHHAIUSA-N 2 0 331.464 1.291 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332275 445455925 /nfs/dbraw/zinc/45/59/25/445455925.db2.gz BBSVLSLJHDMVPI-UHOSZYNNSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CCOC3C[NH2+]C3)cc21 ZINC000348987918 445467078 /nfs/dbraw/zinc/46/70/78/445467078.db2.gz AGBFHETXPDDXKL-UHFFFAOYSA-N 2 0 330.432 1.520 20 0 EDADRP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000357298333 445533431 /nfs/dbraw/zinc/53/34/31/445533431.db2.gz ZNWABESWLRTRJW-HKUYNNGSSA-N 2 0 331.460 1.536 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000359919782 445488763 /nfs/dbraw/zinc/48/87/63/445488763.db2.gz WIYISJPPAXJLID-KRWDZBQOSA-N 2 0 342.528 1.859 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000349057343 445490180 /nfs/dbraw/zinc/49/01/80/445490180.db2.gz NAJHUVXDFJWXNW-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP Cn1c2ccc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cc2oc1=O ZINC000352102373 445493291 /nfs/dbraw/zinc/49/32/91/445493291.db2.gz MPXSJRDNXSYEPU-UHFFFAOYSA-N 2 0 332.448 1.247 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccc(C)o2)CC1 ZINC000360091279 445561916 /nfs/dbraw/zinc/56/19/16/445561916.db2.gz VJFKVDVGQIHLSQ-UHFFFAOYSA-N 2 0 336.480 1.116 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362856160 445583603 /nfs/dbraw/zinc/58/36/03/445583603.db2.gz PZZVGHXTYQPFES-DOTOQJQBSA-N 2 0 325.497 1.534 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCCC[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000360038353 445539869 /nfs/dbraw/zinc/53/98/69/445539869.db2.gz NGIWOPXZBKGMPM-CVEARBPZSA-N 2 0 348.491 1.848 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358515660 445627132 /nfs/dbraw/zinc/62/71/32/445627132.db2.gz NCPNBBWFBDDLAF-AWEZNQCLSA-N 2 0 344.459 1.449 20 0 EDADRP CN(CC[N@H+](C)CCc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000360208403 445629282 /nfs/dbraw/zinc/62/92/82/445629282.db2.gz LMSLJEDOOQUFHS-UHFFFAOYSA-N 2 0 347.503 1.958 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000362969406 445631524 /nfs/dbraw/zinc/63/15/24/445631524.db2.gz LYCUIQTUQCYASY-XJKSGUPXSA-N 2 0 332.448 1.691 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NCC[NH+]3CCC3)cc2)CC1 ZINC000356169139 445658869 /nfs/dbraw/zinc/65/88/69/445658869.db2.gz AOBRZSSQPMQFJR-UHFFFAOYSA-N 2 0 346.475 1.665 20 0 EDADRP COc1ccsc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000349811527 445686167 /nfs/dbraw/zinc/68/61/67/445686167.db2.gz HKHHQUGENXRLMH-OAHLLOKOSA-N 2 0 341.521 1.797 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000349769758 445671610 /nfs/dbraw/zinc/67/16/10/445671610.db2.gz KLOODEONTOFYDL-UHFFFAOYSA-N 2 0 340.512 1.616 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353714087 445721255 /nfs/dbraw/zinc/72/12/55/445721255.db2.gz UHGHPFYBNJRLTG-OAHLLOKOSA-N 2 0 342.553 1.133 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000358700188 445725537 /nfs/dbraw/zinc/72/55/37/445725537.db2.gz YZTWLUSZTVAUGS-JZXOWHBKSA-N 2 0 340.512 1.110 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000363226323 445731055 /nfs/dbraw/zinc/73/10/55/445731055.db2.gz UUIPVHKPFFTGPP-ZWKOTPCHSA-N 2 0 348.491 1.482 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000361466040 445773448 /nfs/dbraw/zinc/77/34/48/445773448.db2.gz UQCVVYCUKDSXKQ-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000358710597 445734209 /nfs/dbraw/zinc/73/42/09/445734209.db2.gz SSQNDWBIVWIHJY-PBHICJAKSA-N 2 0 338.452 1.028 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCNC(=O)C(C)(C)C ZINC000360870595 445736523 /nfs/dbraw/zinc/73/65/23/445736523.db2.gz IPHSJSNWSLYMDC-BZUAXINKSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363480603 445823479 /nfs/dbraw/zinc/82/34/79/445823479.db2.gz DLMCEQBMWOCPBX-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCc2ccccc21 ZINC000363407247 445792089 /nfs/dbraw/zinc/79/20/89/445792089.db2.gz VCMKUJBHGJMRQU-FOIQADDNSA-N 2 0 327.472 1.990 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C[NH3+])c3ccc(F)cc3)CC2)CCO1 ZINC000358856980 445814088 /nfs/dbraw/zinc/81/40/88/445814088.db2.gz OPVDVDNDKFBCOB-KSSFIOAISA-N 2 0 349.450 1.580 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000358860534 445815566 /nfs/dbraw/zinc/81/55/66/445815566.db2.gz DSOJUZQXLKUUGN-CVEARBPZSA-N 2 0 325.428 1.341 20 0 EDADRP CC[C@H]1CN(c2ccnc(N3CCCCC3)n2)CC[N@@H+]1C[C@H](C)O ZINC000354075378 445887947 /nfs/dbraw/zinc/88/79/47/445887947.db2.gz KRRYDPRSRKIGSP-HOTGVXAUSA-N 2 0 333.480 1.748 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350619197 445856536 /nfs/dbraw/zinc/85/65/36/445856536.db2.gz PJFGLAJFNXVJNQ-HUUCEWRRSA-N 2 0 340.512 1.022 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000354087361 445894494 /nfs/dbraw/zinc/89/44/94/445894494.db2.gz ZQEVVQGYQWCYCL-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP COCC[C@@]1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000361717341 445895893 /nfs/dbraw/zinc/89/58/93/445895893.db2.gz DIDWLVAWJLZLBA-FCEWJHQRSA-N 2 0 339.524 1.875 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@@]2(CCOC)CC[NH2+]C2)[NH+](C)C)cc1 ZINC000361723173 445899146 /nfs/dbraw/zinc/89/91/46/445899146.db2.gz LTQLDMNNAASYQA-UYAOXDASSA-N 2 0 347.503 1.984 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@H]3CCCO3)C2)c1 ZINC000361751826 445916572 /nfs/dbraw/zinc/91/65/72/445916572.db2.gz PTFKLQXERCVFOC-YESZJQIVSA-N 2 0 346.475 1.808 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000364927150 445968760 /nfs/dbraw/zinc/96/87/60/445968760.db2.gz WEMSVNFAROLBRZ-GVDBMIGSSA-N 2 0 338.496 1.079 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000359147705 445981740 /nfs/dbraw/zinc/98/17/40/445981740.db2.gz XJTOVVZVSXIMFO-GPMSIDNRSA-N 2 0 345.487 1.395 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CCOCC1 ZINC000354198837 445991767 /nfs/dbraw/zinc/99/17/67/445991767.db2.gz MEWXQRVWKFHCLJ-KRWDZBQOSA-N 2 0 332.492 1.998 20 0 EDADRP C[C@H](CNC(=O)[C@@]1([NH+](C)C)CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000369212211 445996465 /nfs/dbraw/zinc/99/64/65/445996465.db2.gz PLCZISUVUSCHNW-OXQOHEQNSA-N 2 0 344.503 1.142 20 0 EDADRP c1nc(NC[C@@H]2CN3CCCC[C@H]3CO2)cc(N2CCSCC2)n1 ZINC000372970372 445950699 /nfs/dbraw/zinc/95/06/99/445950699.db2.gz SXIIOHUWNBDSBW-LSDHHAIUSA-N 2 0 349.504 1.695 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000354226978 446023852 /nfs/dbraw/zinc/02/38/52/446023852.db2.gz HDCZFPVDMZBDRG-GJZGRUSLSA-N 2 0 347.463 1.405 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000583142520 326011501 /nfs/dbraw/zinc/01/15/01/326011501.db2.gz BBVUXMSJDRAUNO-SFHVURJKSA-N 2 0 331.460 1.475 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1C ZINC000583440469 326074088 /nfs/dbraw/zinc/07/40/88/326074088.db2.gz GKJBVGKOEBRLGX-UHFFFAOYSA-N 2 0 330.432 1.812 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC=C(c2cccc(OC)c2)CC1 ZINC000583572633 326098257 /nfs/dbraw/zinc/09/82/57/326098257.db2.gz SAXRDHYAYVSJRP-GOSISDBHSA-N 2 0 334.460 1.723 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccc(F)cc1 ZINC000583630225 326107982 /nfs/dbraw/zinc/10/79/82/326107982.db2.gz PGLFVNSWJSFNTO-SQNIBIBYSA-N 2 0 349.450 1.613 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)n2)CC1 ZINC000583646514 326111717 /nfs/dbraw/zinc/11/17/17/326111717.db2.gz UYRDKDHIVPBHFC-DOTOQJQBSA-N 2 0 343.475 1.190 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CC1 ZINC000583985051 326178097 /nfs/dbraw/zinc/17/80/97/326178097.db2.gz MDCIMEPQGKDRRR-DJKXOVBDSA-N 2 0 349.519 1.994 20 0 EDADRP COC[C@@H]1CCCC[NH+](C[C@@H](O)C[N@H+]2CCCC[C@H](COC)C2)C1 ZINC000373172451 446071892 /nfs/dbraw/zinc/07/18/92/446071892.db2.gz JBNOZIRSINOGMD-REPLKXPHSA-N 2 0 342.524 1.844 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000359251049 446084279 /nfs/dbraw/zinc/08/42/79/446084279.db2.gz MAXLUXHRPUYNLA-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc(OC)c1 ZINC000361972958 446118379 /nfs/dbraw/zinc/11/83/79/446118379.db2.gz VDVYLCQDKZAQIX-QOKNQOGYSA-N 2 0 336.476 1.785 20 0 EDADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000373258001 446129336 /nfs/dbraw/zinc/12/93/36/446129336.db2.gz XAELNDPWTVEDMA-KRWDZBQOSA-N 2 0 338.540 1.497 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359351018 446167448 /nfs/dbraw/zinc/16/74/48/446167448.db2.gz MACDPHRSQVUSBR-IAGOWNOFSA-N 2 0 330.476 1.695 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC000354417554 446190113 /nfs/dbraw/zinc/19/01/13/446190113.db2.gz CABKLWCILGBNJR-ZWKOTPCHSA-N 2 0 333.476 1.686 20 0 EDADRP CCn1ccnc1[C@H]1CCCCN1C(=O)NCCCN1CCOCC1 ZINC000365476346 446224986 /nfs/dbraw/zinc/22/49/86/446224986.db2.gz SSVNEDYDLRXMFU-MRXNPFEDSA-N 2 0 349.479 1.862 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373467719 446227251 /nfs/dbraw/zinc/22/72/51/446227251.db2.gz SHCAAQKXQUGWKC-UHFFFAOYSA-N 2 0 327.428 1.889 20 0 EDADRP C[C@@](O)(C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000373569205 446265347 /nfs/dbraw/zinc/26/53/47/446265347.db2.gz PZUNNMLZDKVTHZ-HXUWFJFHSA-N 2 0 347.503 1.234 20 0 EDADRP CN1CC[NH+](C2(C(=O)N3CCC(C[NH+](C)C)CC3)CCCC2)CC1 ZINC000365719772 446313881 /nfs/dbraw/zinc/31/38/81/446313881.db2.gz DDXNTANWCFBOPI-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000417292347 446339478 /nfs/dbraw/zinc/33/94/78/446339478.db2.gz CISMTWVBPUYNFT-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417307559 446343090 /nfs/dbraw/zinc/34/30/90/446343090.db2.gz BXAWHJRTIWUIFF-XHSDSOJGSA-N 2 0 330.476 1.812 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417334736 446346364 /nfs/dbraw/zinc/34/63/64/446346364.db2.gz FWEGVBNMPBPACF-CRAIPNDOSA-N 2 0 330.476 1.827 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000417365790 446350149 /nfs/dbraw/zinc/35/01/49/446350149.db2.gz MNNQJNDLEWFLRV-CABCVRRESA-N 2 0 336.505 1.963 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000370601551 446351844 /nfs/dbraw/zinc/35/18/44/446351844.db2.gz ACMVHRBJYMNVNN-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417504394 446356157 /nfs/dbraw/zinc/35/61/57/446356157.db2.gz NEZSYDBNTKXTHB-OALUTQOASA-N 2 0 344.503 1.850 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000417545405 446364007 /nfs/dbraw/zinc/36/40/07/446364007.db2.gz JPOPNEZWZFFQRO-UKRRQHHQSA-N 2 0 326.485 1.302 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000417574613 446365754 /nfs/dbraw/zinc/36/57/54/446365754.db2.gz ZNTPNVYBIDQQHH-SJLPKXTDSA-N 2 0 346.475 1.283 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370646417 446371251 /nfs/dbraw/zinc/37/12/51/446371251.db2.gz UFLIVYCEYYNDQO-WJFTUGDTSA-N 2 0 339.524 1.576 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000417926376 446388181 /nfs/dbraw/zinc/38/81/81/446388181.db2.gz DNDOXRMQVWKPTB-LXZKKBNFSA-N 2 0 334.439 1.766 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000365891237 446390983 /nfs/dbraw/zinc/39/09/83/446390983.db2.gz QPSYXJYKWSEFGA-NJAFHUGGSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000370708680 446397054 /nfs/dbraw/zinc/39/70/54/446397054.db2.gz MEHCAVNEPNVLBJ-KRWDZBQOSA-N 2 0 337.427 1.144 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418072559 446431143 /nfs/dbraw/zinc/43/11/43/446431143.db2.gz KRXMSHJTUUMVNV-AEFFLSMTSA-N 2 0 348.491 1.432 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccncc2OCCC[NH+](C)C)[C@@H](C)C[NH2+]1 ZINC000418187108 446452463 /nfs/dbraw/zinc/45/24/63/446452463.db2.gz CWWDVYYCEYZYSR-GJZGRUSLSA-N 2 0 349.479 1.304 20 0 EDADRP C[C@@H](CC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000370774874 446432988 /nfs/dbraw/zinc/43/29/88/446432988.db2.gz TXLUYEUIQXGIFY-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000418086521 446437614 /nfs/dbraw/zinc/43/76/14/446437614.db2.gz CVGZSEUIZBNKKR-KRWDZBQOSA-N 2 0 334.508 1.892 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418095050 446439175 /nfs/dbraw/zinc/43/91/75/446439175.db2.gz VOPKENRPEJUGGX-DLBZAZTESA-N 2 0 334.508 1.892 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420268845 446441823 /nfs/dbraw/zinc/44/18/23/446441823.db2.gz HEGPLOIFJAUQCD-RYQLBKOJSA-N 2 0 332.492 1.607 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000418177959 446448275 /nfs/dbraw/zinc/44/82/75/446448275.db2.gz IBMVSEIYWYCAFC-LMSBXDPUSA-N 2 0 330.476 1.990 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000420282676 446449552 /nfs/dbraw/zinc/44/95/52/446449552.db2.gz AZZSHUXDLSGVRT-DVOMOZLQSA-N 2 0 333.432 1.147 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417995594 446410486 /nfs/dbraw/zinc/41/04/86/446410486.db2.gz QGLHJLFSRYTXRV-ZWKOTPCHSA-N 2 0 346.475 1.276 20 0 EDADRP C[C@H](NC(=O)N1CC[NH2+]C[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006672 446413505 /nfs/dbraw/zinc/41/35/05/446413505.db2.gz MOPBJNXEXNCDDP-BQFCYCMXSA-N 2 0 330.476 1.900 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000418017638 446417295 /nfs/dbraw/zinc/41/72/95/446417295.db2.gz HPLZRCVDUBXKGG-BZUAXINKSA-N 2 0 326.485 1.399 20 0 EDADRP CCCN1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000411193624 446424059 /nfs/dbraw/zinc/42/40/59/446424059.db2.gz ZUANWWZSUQQJSR-UHFFFAOYSA-N 2 0 346.475 1.549 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000418047475 446424262 /nfs/dbraw/zinc/42/42/62/446424262.db2.gz JEJFFBAHKALWNR-CYBMUJFWSA-N 2 0 336.867 1.688 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000418048391 446424332 /nfs/dbraw/zinc/42/43/32/446424332.db2.gz LAVUVZWTUDIJMZ-AWEZNQCLSA-N 2 0 336.867 1.701 20 0 EDADRP C[C@H](NC(=O)N1CCCO[C@@H](C[NH3+])C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418189392 446454207 /nfs/dbraw/zinc/45/42/07/446454207.db2.gz VKZWMQGXQPSGGC-XIRDDKMYSA-N 2 0 334.464 1.437 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+](C)CC1 ZINC000418197568 446455544 /nfs/dbraw/zinc/45/55/44/446455544.db2.gz JPIMCDIQNLJRMV-KGLIPLIRSA-N 2 0 326.510 1.350 20 0 EDADRP [NH3+]CCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000420302916 446465566 /nfs/dbraw/zinc/46/55/66/446465566.db2.gz MTATYKZZDHHZBG-UHFFFAOYSA-N 2 0 335.477 1.697 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000423300713 446477384 /nfs/dbraw/zinc/47/73/84/446477384.db2.gz FALMQJXPUILTGA-INIZCTEOSA-N 2 0 342.447 1.021 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000423301822 446480198 /nfs/dbraw/zinc/48/01/98/446480198.db2.gz GPPVCZJIKNSZQI-KRWDZBQOSA-N 2 0 333.476 1.535 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000423312665 446484171 /nfs/dbraw/zinc/48/41/71/446484171.db2.gz SNVYJYIHCUUFSA-INIZCTEOSA-N 2 0 333.432 1.179 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CC(=O)OC)c1ccsc1 ZINC000423323392 446488277 /nfs/dbraw/zinc/48/82/77/446488277.db2.gz JIHPFNURZAUPIK-QWHCGFSZSA-N 2 0 327.450 1.138 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]([NH3+])C2CCC2)c1 ZINC000423329222 446492064 /nfs/dbraw/zinc/49/20/64/446492064.db2.gz OGTLCLWUAKFQRC-QGZVFWFLSA-N 2 0 346.475 1.824 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@@H]32)CC1 ZINC000420325557 446492981 /nfs/dbraw/zinc/49/29/81/446492981.db2.gz IUTFOFBSXVHTEB-LBKNJMOBSA-N 2 0 349.519 1.996 20 0 EDADRP COC(=O)c1ccccc1OCC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420327432 446495422 /nfs/dbraw/zinc/49/54/22/446495422.db2.gz GHKQNRIHDQEHRL-AEFFLSMTSA-N 2 0 348.443 1.680 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH2+]Cc2cccnc2)CC[N@@H+](C2CC2)C1 ZINC000418328310 446501107 /nfs/dbraw/zinc/50/11/07/446501107.db2.gz NPUDYXACVPUUQN-INIZCTEOSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@@H](CNC(=O)COC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000423365191 446503318 /nfs/dbraw/zinc/50/33/18/446503318.db2.gz WEVLXIIOXQASPV-HNNXBMFYSA-N 2 0 331.460 1.318 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000423371894 446505193 /nfs/dbraw/zinc/50/51/93/446505193.db2.gz FZGLRZSGXXPTNL-UHFFFAOYSA-N 2 0 349.475 1.054 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000420337937 446508171 /nfs/dbraw/zinc/50/81/71/446508171.db2.gz KJFPJXMIVVBDSJ-SJORKVTESA-N 2 0 331.460 1.503 20 0 EDADRP Cc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)nc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000432816625 446510163 /nfs/dbraw/zinc/51/01/63/446510163.db2.gz AQKAYROITOYBEE-ZQDZILKHSA-N 2 0 347.511 1.238 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418358149 446513795 /nfs/dbraw/zinc/51/37/95/446513795.db2.gz DLVVSVJBSNKWOR-KRWDZBQOSA-N 2 0 341.544 1.419 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341816 446514213 /nfs/dbraw/zinc/51/42/13/446514213.db2.gz QHWGLYMAOPLERK-YUELXQCFSA-N 2 0 330.432 1.044 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)cn1 ZINC000420343102 446515878 /nfs/dbraw/zinc/51/58/78/446515878.db2.gz YSKNVMYNXZTPHI-IRXDYDNUSA-N 2 0 331.464 1.380 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2C[NH2+]CCN2C)CC1 ZINC000423518406 446559101 /nfs/dbraw/zinc/55/91/01/446559101.db2.gz OOHWRGPOPSEDFB-FXAWDEMLSA-N 2 0 330.520 1.575 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H]1C ZINC000423517300 446559559 /nfs/dbraw/zinc/55/95/59/446559559.db2.gz XVKSGYBLEJHOQD-QOCJCZBQSA-N 2 0 337.508 1.770 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418483299 446561503 /nfs/dbraw/zinc/56/15/03/446561503.db2.gz ZAPGLGOSIOKVRT-XSLAGTTESA-N 2 0 346.475 1.048 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)C1 ZINC000418493377 446564727 /nfs/dbraw/zinc/56/47/27/446564727.db2.gz WFSTYPBVCHINMI-MJGOQNOKSA-N 2 0 342.443 1.205 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418376327 446519169 /nfs/dbraw/zinc/51/91/69/446519169.db2.gz GBLAARUFBLFLGP-GUDVDZBRSA-N 2 0 342.487 1.902 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418380453 446523112 /nfs/dbraw/zinc/52/31/12/446523112.db2.gz FJVONOHUTVKLEC-UQVLAFNGSA-N 2 0 346.475 1.710 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C1CCCCC1 ZINC000418390310 446524467 /nfs/dbraw/zinc/52/44/67/446524467.db2.gz UTMJHZGGPGIHEC-RCCFBDPRSA-N 2 0 330.476 1.949 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000433014811 446528525 /nfs/dbraw/zinc/52/85/25/446528525.db2.gz HBCMQDYEOJFDAB-OAHLLOKOSA-N 2 0 325.478 1.320 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000418404986 446532141 /nfs/dbraw/zinc/53/21/41/446532141.db2.gz ANJMVXOTBFQIMD-SJPCQFCGSA-N 3 0 339.528 1.184 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(-c3nc[nH]n3)cc2)CC1 ZINC000433143650 446536767 /nfs/dbraw/zinc/53/67/67/446536767.db2.gz ZTNDWBBQGOMVLY-UHFFFAOYSA-N 2 0 328.420 1.614 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418416982 446537515 /nfs/dbraw/zinc/53/75/15/446537515.db2.gz UTGCJEBIXFBFSM-HRCADAONSA-N 2 0 326.485 1.256 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000423438940 446538063 /nfs/dbraw/zinc/53/80/63/446538063.db2.gz VWHZQYIAQNIZRV-CVEARBPZSA-N 2 0 340.512 1.009 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CCC(=O)N2)CC1 ZINC000453594095 446567473 /nfs/dbraw/zinc/56/74/73/446567473.db2.gz WKKRZQFFDKVROU-HXUWFJFHSA-N 2 0 344.503 1.977 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000423455574 446544594 /nfs/dbraw/zinc/54/45/94/446544594.db2.gz FMSBOGCPKAKLBA-GUTXKFCHSA-N 2 0 325.478 1.763 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420364135 446545124 /nfs/dbraw/zinc/54/51/24/446545124.db2.gz IHYJZZFICCZVKT-GPMSIDNRSA-N 2 0 344.503 1.435 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418450609 446547753 /nfs/dbraw/zinc/54/77/53/446547753.db2.gz DWFURWAGGYJHCJ-RDJZCZTQSA-N 2 0 340.512 1.646 20 0 EDADRP CCc1nc2c(s1)[C@@H]([N@H+](C)CCC(=O)N1CC[NH2+]CC1)CCC2 ZINC000420370193 446548251 /nfs/dbraw/zinc/54/82/51/446548251.db2.gz YQQIEYVUIZVOAK-AWEZNQCLSA-N 2 0 336.505 1.837 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423480906 446552690 /nfs/dbraw/zinc/55/26/90/446552690.db2.gz WGJDQDBHCAOIIN-DXCKQFNASA-N 2 0 337.489 1.819 20 0 EDADRP COc1ccc([C@H](CCn2cncn2)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423493281 446554266 /nfs/dbraw/zinc/55/42/66/446554266.db2.gz PWISIUHEHGRJPQ-ROUUACIJSA-N 2 0 345.447 1.386 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418520854 446578434 /nfs/dbraw/zinc/57/84/34/446578434.db2.gz HYIKUHJXMQBNKI-LJQANCHMSA-N 2 0 344.503 1.946 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCC(=O)NCc2ccccc2Cl)CC1 ZINC000420408811 446581952 /nfs/dbraw/zinc/58/19/52/446581952.db2.gz WYPUNOYVRGMHNA-UHFFFAOYSA-N 2 0 325.840 1.132 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529363 446581958 /nfs/dbraw/zinc/58/19/58/446581958.db2.gz TXLSHLNHTNROOI-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409404 446583519 /nfs/dbraw/zinc/58/35/19/446583519.db2.gz VNULWNPIQZDDHT-ZTFGCOKTSA-N 2 0 328.460 1.968 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418538661 446585430 /nfs/dbraw/zinc/58/54/30/446585430.db2.gz DWKXBYFVHBMIGW-DOTOQJQBSA-N 2 0 333.480 1.815 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418550530 446590825 /nfs/dbraw/zinc/59/08/25/446590825.db2.gz ARCGNSSHGLIMCQ-YSHGAJCASA-N 2 0 342.487 1.758 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000418554185 446592353 /nfs/dbraw/zinc/59/23/53/446592353.db2.gz IFZSNPNWZJNDPZ-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCCNc1cc[nH+]cc1 ZINC000418658364 446636901 /nfs/dbraw/zinc/63/69/01/446636901.db2.gz VQCIACLDKBEXSW-KRWDZBQOSA-N 2 0 327.432 1.477 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418666425 446640079 /nfs/dbraw/zinc/64/00/79/446640079.db2.gz DCTWQVFTDWZRJM-JKSUJKDBSA-N 2 0 339.528 1.314 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CCCC1 ZINC000375202407 446640577 /nfs/dbraw/zinc/64/05/77/446640577.db2.gz QKRCENQLPQQPIS-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)[C@@H](C)C1 ZINC000418674532 446644311 /nfs/dbraw/zinc/64/43/11/446644311.db2.gz OTBBKORAIPTKQW-BQFCYCMXSA-N 2 0 348.491 1.563 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418691269 446650532 /nfs/dbraw/zinc/65/05/32/446650532.db2.gz YASUZAWGSCMSHB-RYQLBKOJSA-N 2 0 330.476 1.868 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000423711742 446653358 /nfs/dbraw/zinc/65/33/58/446653358.db2.gz CIRKAKOMXWSVSL-JZXOWHBKSA-N 2 0 335.492 1.478 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423721229 446659118 /nfs/dbraw/zinc/65/91/18/446659118.db2.gz FHCZGFZCJZPTGF-KRWDZBQOSA-N 2 0 347.459 1.108 20 0 EDADRP C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368142639 446666474 /nfs/dbraw/zinc/66/64/74/446666474.db2.gz MDMKRLHBHPWLNB-CWLKWCNXSA-N 2 0 336.501 1.920 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418644946 446630547 /nfs/dbraw/zinc/63/05/47/446630547.db2.gz VOBNHTZCRGXJLG-HFTRVMKXSA-N 2 0 328.460 1.752 20 0 EDADRP C[N@H+](C[C@@H](O)Cn1cccn1)C1CCN(Cc2ccncc2)CC1 ZINC000371205099 446688565 /nfs/dbraw/zinc/68/85/65/446688565.db2.gz NUUWJWKSYKSEQR-GOSISDBHSA-N 2 0 329.448 1.235 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)NCC[N@@H+]3CCCOCC3)ccc21 ZINC000423811573 446701781 /nfs/dbraw/zinc/70/17/81/446701781.db2.gz CAZBDMJBGBVHAI-UHFFFAOYSA-N 2 0 344.459 1.442 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423833576 446720570 /nfs/dbraw/zinc/72/05/70/446720570.db2.gz TUKBGAPTNLEGIU-JCGIZDLHSA-N 2 0 329.444 1.699 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)c1ccc2c(ccn2CCC[NH3+])c1 ZINC000423750219 446679827 /nfs/dbraw/zinc/67/98/27/446679827.db2.gz XGCSQHSCAVZYLJ-UHFFFAOYSA-N 2 0 346.475 1.640 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000423752233 446682217 /nfs/dbraw/zinc/68/22/17/446682217.db2.gz VRANPVVDXQZKQS-YJBOKZPZSA-N 2 0 337.414 1.855 20 0 EDADRP O=C(COC1C[NH2+]C1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423900534 446751823 /nfs/dbraw/zinc/75/18/23/446751823.db2.gz KGJUUBVXKFPXOH-HKUYNNGSSA-N 2 0 343.471 1.488 20 0 EDADRP COC(=O)CCN1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000423905818 446755053 /nfs/dbraw/zinc/75/50/53/446755053.db2.gz ZLKUUYBCFANKLV-ZBFHGGJFSA-N 2 0 339.480 1.380 20 0 EDADRP CN(C[C@@H]1C[C@H](F)CN1Cc1cccs1)C(=O)[C@H]1COCCN1 ZINC000423918964 446766309 /nfs/dbraw/zinc/76/63/09/446766309.db2.gz QBISWQMIJNHLFB-KCQAQPDRSA-N 2 0 341.452 1.107 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894337 446779625 /nfs/dbraw/zinc/77/96/25/446779625.db2.gz BAFDQFZNMGKGLT-OAHLLOKOSA-N 2 0 340.512 1.247 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000418903941 446786684 /nfs/dbraw/zinc/78/66/84/446786684.db2.gz SOOLOKMHYGJPRH-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP COC1([C@@H](C)[NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000412020162 446788146 /nfs/dbraw/zinc/78/81/46/446788146.db2.gz JXSBMHLBLFATIR-CVEARBPZSA-N 2 0 341.496 1.007 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)C(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000418988046 446849749 /nfs/dbraw/zinc/84/97/49/446849749.db2.gz RCYJBJBSDIDEFI-OAHLLOKOSA-N 2 0 338.496 1.002 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000424019485 446826975 /nfs/dbraw/zinc/82/69/75/446826975.db2.gz KEXHQNUZWQLTCB-MSOLQXFVSA-N 2 0 331.460 1.617 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)c1 ZINC000424061389 446834644 /nfs/dbraw/zinc/83/46/44/446834644.db2.gz SIZOHBDIBPDSFZ-CQSZACIVSA-N 2 0 327.432 1.859 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCN(C)[C@@H]2c2cnn(C)c2)o1 ZINC000368401742 446839849 /nfs/dbraw/zinc/83/98/49/446839849.db2.gz GCJKWXUHPKKNHZ-DYVFJYSZSA-N 2 0 346.431 1.972 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000419016260 446868218 /nfs/dbraw/zinc/86/82/18/446868218.db2.gz FRNWEBXCVPNFCV-YOEHRIQHSA-N 2 0 346.475 1.011 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419020938 446871419 /nfs/dbraw/zinc/87/14/19/446871419.db2.gz GLNPZYLTBJHHHZ-INMHGKMJSA-N 2 0 346.475 1.039 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457927 446875777 /nfs/dbraw/zinc/87/57/77/446875777.db2.gz RWXBGXYOUUGBSN-INIZCTEOSA-N 2 0 332.448 1.383 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000424457612 446876001 /nfs/dbraw/zinc/87/60/01/446876001.db2.gz RTTYZTVIVRXFDP-WBVHZDCISA-N 2 0 344.459 1.335 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419096726 446921655 /nfs/dbraw/zinc/92/16/55/446921655.db2.gz CSSVZZYTUNCKFK-HNNXBMFYSA-N 2 0 338.496 1.145 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C(C)(C)C ZINC000419131224 446941025 /nfs/dbraw/zinc/94/10/25/446941025.db2.gz GLBUJQJFVCYVSY-GJZGRUSLSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+]1CCCCCC1 ZINC000419128914 446939027 /nfs/dbraw/zinc/93/90/27/446939027.db2.gz XJTCXTWZMZUHKT-CVEARBPZSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000368597793 446970578 /nfs/dbraw/zinc/97/05/78/446970578.db2.gz YFTGWLRUBQJHCP-ADHGMGHFSA-N 2 0 337.508 1.673 20 0 EDADRP CCCCOC[C@@H](O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974413 446946210 /nfs/dbraw/zinc/94/62/10/446946210.db2.gz DPBZXFJBQIEFTP-IBGZPJMESA-N 2 0 341.540 1.656 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCn2cncc2C1 ZINC000368568018 446949396 /nfs/dbraw/zinc/94/93/96/446949396.db2.gz AVJOVBGHEFCVSG-MRXNPFEDSA-N 2 0 335.496 1.178 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419140981 446952696 /nfs/dbraw/zinc/95/26/96/446952696.db2.gz AACRGBXLDAYUSO-RDJZCZTQSA-N 2 0 346.475 1.102 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419140980 446952973 /nfs/dbraw/zinc/95/29/73/446952973.db2.gz AACRGBXLDAYUSO-NVXWUHKLSA-N 2 0 346.475 1.102 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000371765772 446959351 /nfs/dbraw/zinc/95/93/51/446959351.db2.gz MTEOHZNLJNQKDD-WMZOPIPTSA-N 2 0 347.507 1.924 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419234045 447021228 /nfs/dbraw/zinc/02/12/28/447021228.db2.gz LQYJGIDCJIESTH-INIZCTEOSA-N 2 0 340.512 1.199 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)[C@@H](C)C1 ZINC000372056513 446984910 /nfs/dbraw/zinc/98/49/10/446984910.db2.gz QNNYYEPVZNTEPC-OTBWCIGPSA-N 2 0 343.537 1.653 20 0 EDADRP COC1(C(=O)NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099679 447000512 /nfs/dbraw/zinc/00/05/12/447000512.db2.gz XOQWTFXUGCPAOF-UKRRQHHQSA-N 2 0 337.489 1.626 20 0 EDADRP Cc1nccn1CCCN(C)c1cc(N2CC[C@@H]([C@@H](C)O)C2)ncn1 ZINC000413210864 447070624 /nfs/dbraw/zinc/07/06/24/447070624.db2.gz WMWBDJHZWQTFKL-GDBMZVCRSA-N 2 0 344.463 1.715 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829258 447084614 /nfs/dbraw/zinc/08/46/14/447084614.db2.gz FSRUGZJDPYIOFK-OALUTQOASA-N 2 0 347.503 1.527 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](CC(C)(C)O)CC2)c1 ZINC000372493021 447087132 /nfs/dbraw/zinc/08/71/32/447087132.db2.gz GJJAMRJDGPWJNF-UHFFFAOYSA-N 2 0 333.476 1.667 20 0 EDADRP Cc1cc(NCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n2ncnc2n1 ZINC000375851124 447099281 /nfs/dbraw/zinc/09/92/81/447099281.db2.gz KSKPQTWANOJHIA-KFWWJZLASA-N 2 0 329.452 1.307 20 0 EDADRP CCCCOC[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375915380 447146865 /nfs/dbraw/zinc/14/68/65/447146865.db2.gz CXGDLPCMKHDMCC-SFHVURJKSA-N 2 0 341.540 1.514 20 0 EDADRP CCC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000372574992 447155952 /nfs/dbraw/zinc/15/59/52/447155952.db2.gz ZIYDAILAKQSKHU-CGTJXYLNSA-N 2 0 349.523 1.992 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@@]3(CCO[C@@H]3C)C2)CC1 ZINC000375963433 447177832 /nfs/dbraw/zinc/17/78/32/447177832.db2.gz RINYXRCDBJUUTG-MSOLQXFVSA-N 2 0 325.497 1.282 20 0 EDADRP C[C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1C[NH2+]C1 ZINC000375962868 447178386 /nfs/dbraw/zinc/17/83/86/447178386.db2.gz HSQLGCJXZYROBG-CQSZACIVSA-N 2 0 325.522 1.710 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1)C1CC1 ZINC000425486970 447186988 /nfs/dbraw/zinc/18/69/88/447186988.db2.gz YBRSMEWNBRILIB-PKOBYXMFSA-N 2 0 342.487 1.997 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000455670607 447205338 /nfs/dbraw/zinc/20/53/38/447205338.db2.gz RCPWECUNSKQCAS-UHFFFAOYSA-N 2 0 336.484 1.829 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419476267 447208169 /nfs/dbraw/zinc/20/81/69/447208169.db2.gz GERDVJQLOOEUOE-HNNXBMFYSA-N 2 0 340.512 1.058 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@H+](C)CCCS(N)(=O)=O ZINC000372686314 447223290 /nfs/dbraw/zinc/22/32/90/447223290.db2.gz WUSTYKNBQRAAAM-DOTOQJQBSA-N 2 0 339.505 1.507 20 0 EDADRP COC[C@]1(C(=O)N(C)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488629 447478888 /nfs/dbraw/zinc/47/88/88/447478888.db2.gz LUHDKSUETPILQT-ICSRJNTNSA-N 2 0 345.487 1.736 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458809466 447480388 /nfs/dbraw/zinc/48/03/88/447480388.db2.gz NBYXBJZQZNVMFQ-OAGGEKHMSA-N 2 0 328.501 1.203 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415501854 447484556 /nfs/dbraw/zinc/48/45/56/447484556.db2.gz WREYOMWZBXFIEH-UHFFFAOYSA-N 2 0 334.464 1.363 20 0 EDADRP C[C@H](NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000390541886 447495134 /nfs/dbraw/zinc/49/51/34/447495134.db2.gz HNBJSEPFSJVQDY-AZUAARDMSA-N 2 0 330.520 1.924 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390925372 447507147 /nfs/dbraw/zinc/50/71/47/447507147.db2.gz JEFWZXWZEGGOSZ-OTWHNJEPSA-N 2 0 345.487 1.911 20 0 EDADRP CCc1nn(C)cc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000392465145 447524040 /nfs/dbraw/zinc/52/40/40/447524040.db2.gz BJFHHFRGRBYYDS-PBHICJAKSA-N 2 0 333.480 1.063 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)c1 ZINC000392586771 447525581 /nfs/dbraw/zinc/52/55/81/447525581.db2.gz HNDHHIXQPTVCBA-UHFFFAOYSA-N 2 0 339.443 1.691 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000427316061 447579949 /nfs/dbraw/zinc/57/99/49/447579949.db2.gz WXXLBNBAYUAABA-MHORFTMASA-N 2 0 337.508 1.866 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000420027751 447554266 /nfs/dbraw/zinc/55/42/66/447554266.db2.gz LEURMDZVIZAPNI-ZMSDIMECSA-N 2 0 346.475 1.134 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420091153 447595424 /nfs/dbraw/zinc/59/54/24/447595424.db2.gz BFXHWIDRVONZFN-OAHLLOKOSA-N 2 0 348.491 1.513 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404519271 447600742 /nfs/dbraw/zinc/60/07/42/447600742.db2.gz UZBAWYQDFBKWRP-KYHPRHEASA-N 2 0 331.460 1.485 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457639597 447607015 /nfs/dbraw/zinc/60/70/15/447607015.db2.gz YGHUXKGLUGNPAW-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420116694 447613126 /nfs/dbraw/zinc/61/31/26/447613126.db2.gz GLWCONYAPQTZTP-OAHLLOKOSA-N 2 0 340.512 1.201 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420124737 447618704 /nfs/dbraw/zinc/61/87/04/447618704.db2.gz MNXATNAAXLSRRV-AWEZNQCLSA-N 2 0 334.464 1.171 20 0 EDADRP CCCN(C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000416861932 447697537 /nfs/dbraw/zinc/69/75/37/447697537.db2.gz FKXSORUALBPSJI-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422613527 447669736 /nfs/dbraw/zinc/66/97/36/447669736.db2.gz WWSJOEPACAOLFO-CVEARBPZSA-N 2 0 334.464 1.567 20 0 EDADRP CNS(=O)(=O)CCCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459490429 447686064 /nfs/dbraw/zinc/68/60/64/447686064.db2.gz YKOXUJXLXOAGAN-UHFFFAOYSA-N 2 0 348.472 1.296 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH3+])CCCCC2)C[C@H](C)O1 ZINC000416939413 447716174 /nfs/dbraw/zinc/71/61/74/447716174.db2.gz HKQFGRNNECLFQD-GASCZTMLSA-N 2 0 326.485 1.447 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416945263 447720829 /nfs/dbraw/zinc/72/08/29/447720829.db2.gz FDVVLSXKKDGOSO-PVAVHDDUSA-N 2 0 340.512 1.550 20 0 EDADRP O=C([C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F)N1CC[NH2+]CC1 ZINC000422704323 447721703 /nfs/dbraw/zinc/72/17/03/447721703.db2.gz PIMIVPANYOVHAA-HUUCEWRRSA-N 2 0 341.377 1.729 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422716395 447726929 /nfs/dbraw/zinc/72/69/29/447726929.db2.gz UMLQKKHNNLWMRJ-XLIONFOSSA-N 3 0 330.520 1.912 20 0 EDADRP C[C@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422718693 447727878 /nfs/dbraw/zinc/72/78/78/447727878.db2.gz XISOHPBGDVWDHL-GOEBONIOSA-N 2 0 331.460 1.474 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750690 447738408 /nfs/dbraw/zinc/73/84/08/447738408.db2.gz AIQVSKGRNNRICE-RISCZKNCSA-N 2 0 331.869 1.335 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(=O)OC)[C@@H]2C(C)C)CC1 ZINC000429373797 447745924 /nfs/dbraw/zinc/74/59/24/447745924.db2.gz UBGGTINQEMBABN-RDJZCZTQSA-N 2 0 339.480 1.106 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)CC[NH2+]CC1 ZINC000422817115 447757501 /nfs/dbraw/zinc/75/75/01/447757501.db2.gz GTLFMLVSNMYIQA-CVEARBPZSA-N 2 0 327.513 1.874 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CC(C)C)N(C)C)CC[NH2+]CC1 ZINC000422817117 447757511 /nfs/dbraw/zinc/75/75/11/447757511.db2.gz GTLFMLVSNMYIQA-HOTGVXAUSA-N 2 0 327.513 1.874 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CCC[NH+]2CCCO)C1 ZINC000458318731 447768110 /nfs/dbraw/zinc/76/81/10/447768110.db2.gz CNZZZEABBXJKHO-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946516 447777603 /nfs/dbraw/zinc/77/76/03/447777603.db2.gz OZPSBVUSWWIWGN-HIFRSBDPSA-N 2 0 343.493 1.341 20 0 EDADRP Cc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1S(C)(=O)=O ZINC000423080238 447800788 /nfs/dbraw/zinc/80/07/88/447800788.db2.gz ZFFPYGFMVWVQLY-WBVHZDCISA-N 2 0 338.473 1.255 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000488368563 447845990 /nfs/dbraw/zinc/84/59/90/447845990.db2.gz CSUWVXSOWKOKRL-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)CCN1C ZINC000488611894 447849424 /nfs/dbraw/zinc/84/94/24/447849424.db2.gz RVKQXXAZWVPZQL-KRWDZBQOSA-N 2 0 344.459 1.369 20 0 EDADRP COc1ccc(COC[C@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000575982720 447943420 /nfs/dbraw/zinc/94/34/20/447943420.db2.gz KNQUEUMQIVUYTN-HUUCEWRRSA-N 2 0 331.416 1.443 20 0 EDADRP OC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CO)CC3)COC2)CC1 ZINC000569943738 447925082 /nfs/dbraw/zinc/92/50/82/447925082.db2.gz CKLKIPMDUOEUCH-ROUUACIJSA-N 2 0 340.508 1.192 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000576160598 447987787 /nfs/dbraw/zinc/98/77/87/447987787.db2.gz QFAOGSNBSYQVPY-XUWVNRHRSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000576403734 448046508 /nfs/dbraw/zinc/04/65/08/448046508.db2.gz XUSHWEHAZDRYSU-IAGOWNOFSA-N 3 0 336.524 1.297 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000531255171 448047953 /nfs/dbraw/zinc/04/79/53/448047953.db2.gz SQWFXWXWYBHKPZ-KRWDZBQOSA-N 2 0 345.553 1.710 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CNC(=O)CC1CCCCC1 ZINC000531357090 448069569 /nfs/dbraw/zinc/06/95/69/448069569.db2.gz CKCGNANWUBUHOY-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000571075188 448107576 /nfs/dbraw/zinc/10/75/76/448107576.db2.gz OWUHOPZLRPUZNB-FUHWJXTLSA-N 2 0 349.475 1.706 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531570047 448108290 /nfs/dbraw/zinc/10/82/90/448108290.db2.gz TUNKJUAPZCBXDI-BPAFIMBUSA-N 2 0 343.471 1.222 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000497011672 448121328 /nfs/dbraw/zinc/12/13/28/448121328.db2.gz ABZFPBKKBVETLZ-HNNXBMFYSA-N 2 0 341.415 1.850 20 0 EDADRP FC(F)(F)c1ccn([C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)n1 ZINC000571404100 448147980 /nfs/dbraw/zinc/14/79/80/448147980.db2.gz FPVHLTHZAODJMG-ZDUSSCGKSA-N 2 0 331.386 1.444 20 0 EDADRP Cc1c(-c2cc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)on2)cnn1C ZINC000514603693 448171640 /nfs/dbraw/zinc/17/16/40/448171640.db2.gz XXEWSZSNYGBPJU-AWEZNQCLSA-N 2 0 345.447 1.571 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000571777577 448205441 /nfs/dbraw/zinc/20/54/41/448205441.db2.gz YYUWZWOYMPBKNL-MWIANEHASA-N 2 0 328.460 1.414 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000514860241 448216268 /nfs/dbraw/zinc/21/62/68/448216268.db2.gz BBLDCDBVRHHGQR-QZTJIDSGSA-N 2 0 346.475 1.322 20 0 EDADRP CC(=O)NCc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000527375770 448220119 /nfs/dbraw/zinc/22/01/19/448220119.db2.gz UTDQFZDEGAPZOF-UHFFFAOYSA-N 2 0 349.479 1.280 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000572056743 448273526 /nfs/dbraw/zinc/27/35/26/448273526.db2.gz ZFXVXYLFWBRURL-IYBDPMFKSA-N 2 0 349.523 1.931 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC(C)(C)[C@@H]2c2nccn2C)CC1 ZINC000515209223 448274725 /nfs/dbraw/zinc/27/47/25/448274725.db2.gz MTCWFPAEFYGHOE-HNNXBMFYSA-N 2 0 349.479 1.623 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000572000146 448258831 /nfs/dbraw/zinc/25/88/31/448258831.db2.gz NQBCNNYPPSAKTR-JKSUJKDBSA-N 2 0 334.468 1.165 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)C[C@@H](C)O1 ZINC000591097608 448261359 /nfs/dbraw/zinc/26/13/59/448261359.db2.gz PCVHBSMOJMGEKF-GPMSIDNRSA-N 2 0 345.487 1.864 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@@H](C)C1 ZINC000532491355 448264177 /nfs/dbraw/zinc/26/41/77/448264177.db2.gz JKCBHIPTDOMYLN-IYJAJMOOSA-N 2 0 344.459 1.561 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)[N@H+](C)Cc1ccccc1 ZINC000515143224 448265139 /nfs/dbraw/zinc/26/51/39/448265139.db2.gz SFDQFTYGBCUWIN-ZFWWWQNUSA-N 2 0 340.418 1.803 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000515234699 448279673 /nfs/dbraw/zinc/27/96/73/448279673.db2.gz MAGOMAPSNYYXCE-UXHICEINSA-N 2 0 347.503 1.106 20 0 EDADRP CC(=O)Nc1cccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000515347534 448294731 /nfs/dbraw/zinc/29/47/31/448294731.db2.gz DZTDUPMHGAFVGO-UHFFFAOYSA-N 2 0 334.464 1.139 20 0 EDADRP COC(=O)CC1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000591272328 448303376 /nfs/dbraw/zinc/30/33/76/448303376.db2.gz AANSRHYTWDFTRU-AWEZNQCLSA-N 2 0 325.453 1.039 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2nc(C)cs2)CC[NH2+]CC1 ZINC000591568452 448391812 /nfs/dbraw/zinc/39/18/12/448391812.db2.gz GOCTWANGZRNSOI-ZDUSSCGKSA-N 2 0 325.478 1.905 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000566179032 448405920 /nfs/dbraw/zinc/40/59/20/448405920.db2.gz MFCCTTVVCUTVFH-AEFFLSMTSA-N 2 0 331.460 1.082 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000533485818 448410014 /nfs/dbraw/zinc/41/00/14/448410014.db2.gz RYNTVTYEYXMJFC-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000583083797 448420255 /nfs/dbraw/zinc/42/02/55/448420255.db2.gz HCIHBRPVCPJUJS-JFIYKMOQSA-N 2 0 332.444 1.978 20 0 EDADRP COCCN1CCC[C@H]1C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1 ZINC000577741269 448375082 /nfs/dbraw/zinc/37/50/82/448375082.db2.gz CMQOBRSHGAAPRC-INIZCTEOSA-N 2 0 341.402 1.994 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)c2)CCO1 ZINC000577998644 448434203 /nfs/dbraw/zinc/43/42/03/448434203.db2.gz LXMKWASYCKDZTH-YJBOKZPZSA-N 2 0 346.475 1.459 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000578050632 448450515 /nfs/dbraw/zinc/45/05/15/448450515.db2.gz PUPIDQYVHZBZBL-HOTGVXAUSA-N 2 0 326.485 1.031 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000516782532 448473875 /nfs/dbraw/zinc/47/38/75/448473875.db2.gz UDMPYJDVSDIJQE-QGZVFWFLSA-N 3 0 345.491 1.052 20 0 EDADRP C[C@H](CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000572834742 448475022 /nfs/dbraw/zinc/47/50/22/448475022.db2.gz YHTVATCOZWSSMW-HYVNUMGLSA-N 2 0 348.495 1.121 20 0 EDADRP c1nc(NCC[C@@H]2CCC[NH2+]C2)cc(NCC[C@@H]2CCC[NH2+]C2)n1 ZINC000584303042 448479116 /nfs/dbraw/zinc/47/91/16/448479116.db2.gz WAZCSGFYXRCTKV-HOTGVXAUSA-N 2 0 332.496 2.080 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000578152172 448473453 /nfs/dbraw/zinc/47/34/53/448473453.db2.gz MONBKHRWXRZKPW-SFHVURJKSA-N 2 0 333.476 1.593 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000584408390 448515421 /nfs/dbraw/zinc/51/54/21/448515421.db2.gz CLSSWGJLIOGPOY-UHFFFAOYSA-N 2 0 332.448 1.133 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000572992968 448517402 /nfs/dbraw/zinc/51/74/02/448517402.db2.gz JDCKEFHLHCKOKX-AWEZNQCLSA-N 2 0 338.883 1.894 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000566537168 448500914 /nfs/dbraw/zinc/50/09/14/448500914.db2.gz UQOKHECDRQSJKH-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000566791466 448559168 /nfs/dbraw/zinc/55/91/68/448559168.db2.gz CCHXXDSPMNDGJA-KRWDZBQOSA-N 2 0 340.439 1.656 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)CC1 ZINC000584575084 448574012 /nfs/dbraw/zinc/57/40/12/448574012.db2.gz BPQBSQBRMSAZQN-IYBDPMFKSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000584468847 448538842 /nfs/dbraw/zinc/53/88/42/448538842.db2.gz VOCJPTCOAXFZBB-GFCCVEGCSA-N 2 0 328.420 1.152 20 0 EDADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C2CCOCC2)CC1 ZINC000573321656 448598574 /nfs/dbraw/zinc/59/85/74/448598574.db2.gz UZPHXSONNOOFRC-GOSISDBHSA-N 2 0 329.444 1.197 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000538821350 448599597 /nfs/dbraw/zinc/59/95/97/448599597.db2.gz FYAQEHDMQZSVHL-OALUTQOASA-N 2 0 347.503 1.860 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)c2ccccc2)CC1 ZINC000578850021 448649315 /nfs/dbraw/zinc/64/93/15/448649315.db2.gz YUGBYBJLTARUQR-QZTJIDSGSA-N 2 0 345.491 1.012 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3cccnc3)cc2)CC1 ZINC000567262638 448652141 /nfs/dbraw/zinc/65/21/41/448652141.db2.gz YPLKHTXFFPZONY-FQEVSTJZSA-N 2 0 340.471 1.447 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CSC)cc2)CC1 ZINC000573595681 448667461 /nfs/dbraw/zinc/66/74/61/448667461.db2.gz LMYPBEWOXGMRMW-GOSISDBHSA-N 2 0 337.533 1.638 20 0 EDADRP FC(F)(F)CN1CC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000517929963 448629880 /nfs/dbraw/zinc/62/98/80/448629880.db2.gz JAZKJZYETWDRGD-GFCCVEGCSA-N 2 0 332.370 1.868 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000542813515 448722333 /nfs/dbraw/zinc/72/23/33/448722333.db2.gz OJYXZIOSEAKYPU-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@@H](C)O1 ZINC000542785508 448719433 /nfs/dbraw/zinc/71/94/33/448719433.db2.gz ZMKXJDPWCSEXBO-IAGOWNOFSA-N 2 0 348.491 1.914 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CCN(C)c2cc[nH+]cc2)C[C@H](C)O1 ZINC000542785507 448719597 /nfs/dbraw/zinc/71/95/97/448719597.db2.gz ZMKXJDPWCSEXBO-CALCHBBNSA-N 2 0 348.491 1.914 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000592091865 448677038 /nfs/dbraw/zinc/67/70/38/448677038.db2.gz KNUIINKOQVKVSU-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP c1ccc(-n2nnnc2CCN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519365275 448762398 /nfs/dbraw/zinc/76/23/98/448762398.db2.gz FNJWIUAONHPUDQ-IRXDYDNUSA-N 2 0 326.448 1.811 20 0 EDADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000567639474 448729154 /nfs/dbraw/zinc/72/91/54/448729154.db2.gz RTZFAZSIFFOUJN-LBPRGKRZSA-N 2 0 338.839 1.079 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000579228168 448745239 /nfs/dbraw/zinc/74/52/39/448745239.db2.gz BUAYRABXVUYLRE-BEFAXECRSA-N 2 0 332.492 1.652 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000567779402 448760231 /nfs/dbraw/zinc/76/02/31/448760231.db2.gz PYQLUTCFVFVLBY-GOSISDBHSA-N 2 0 342.487 1.762 20 0 EDADRP Cc1cccc(C(=O)N2CCC[N@H+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000519651460 448812019 /nfs/dbraw/zinc/81/20/19/448812019.db2.gz AEHMTNKYHJDSEC-UHFFFAOYSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296972 448812175 /nfs/dbraw/zinc/81/21/75/448812175.db2.gz HAXVPCYKEASXFU-RDJZCZTQSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000574200249 448815342 /nfs/dbraw/zinc/81/53/42/448815342.db2.gz OTNICKXBZMEFLR-AEFFLSMTSA-N 2 0 338.540 1.816 20 0 EDADRP COc1ccc2cc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@H]4C3)ccc2c1 ZINC000519658448 448813685 /nfs/dbraw/zinc/81/36/85/448813685.db2.gz XYIGRIZZUSHDJG-FUHWJXTLSA-N 2 0 325.412 1.592 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000567986819 448793177 /nfs/dbraw/zinc/79/31/77/448793177.db2.gz FCWHLBWTDNDVKN-HUUCEWRRSA-N 2 0 349.504 1.480 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000529312372 448816849 /nfs/dbraw/zinc/81/68/49/448816849.db2.gz FCAIKACOIHAEBZ-NJAFHUGGSA-N 2 0 346.475 1.185 20 0 EDADRP CN(C(=O)NC[C@H]1COCC[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000529372523 448845860 /nfs/dbraw/zinc/84/58/60/448845860.db2.gz CYTNFYATZFXLQT-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)C1 ZINC000529357957 448839507 /nfs/dbraw/zinc/83/95/07/448839507.db2.gz NZBNNLJRHPVEGG-HZPDHXFCSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000574690299 448934273 /nfs/dbraw/zinc/93/42/73/448934273.db2.gz CQMQNZOHMZUSSW-JKSUJKDBSA-N 2 0 325.497 1.674 20 0 EDADRP C[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)S(C)(=O)=O ZINC000568983300 448948682 /nfs/dbraw/zinc/94/86/82/448948682.db2.gz HDSFDIJZZWHXDN-PBHICJAKSA-N 2 0 340.489 1.166 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568994567 448951215 /nfs/dbraw/zinc/95/12/15/448951215.db2.gz AMKOXJJMCVRFFA-UGSOOPFHSA-N 2 0 348.466 1.882 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000521359119 448974626 /nfs/dbraw/zinc/97/46/26/448974626.db2.gz VLOIAJKUSLNBRS-LJQANCHMSA-N 2 0 344.503 1.392 20 0 EDADRP Cc1ccc(C2(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CCC2)cc1C ZINC000574750753 448946922 /nfs/dbraw/zinc/94/69/22/448946922.db2.gz AUFUKSDHOJGQEZ-HXUWFJFHSA-N 2 0 345.531 1.923 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000529911698 449003219 /nfs/dbraw/zinc/00/32/19/449003219.db2.gz YEAHGIYLOURQFL-HNNXBMFYSA-N 2 0 325.497 1.866 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000582074162 449005188 /nfs/dbraw/zinc/00/51/88/449005188.db2.gz DIJWTPFRTWQVQT-ROUUACIJSA-N 2 0 330.476 1.697 20 0 EDADRP C[C@@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000592956110 449076925 /nfs/dbraw/zinc/07/69/25/449076925.db2.gz DJQVHFYMTRYPPT-QLFBSQMISA-N 2 0 333.480 1.712 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000521999708 449039052 /nfs/dbraw/zinc/03/90/52/449039052.db2.gz RKADRRCJAXFZDZ-UHFFFAOYSA-N 2 0 332.448 1.152 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000582230709 449043536 /nfs/dbraw/zinc/04/35/36/449043536.db2.gz VFDJGMGYLAAYBM-JKSUJKDBSA-N 2 0 330.476 1.732 20 0 EDADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000592962454 449086752 /nfs/dbraw/zinc/08/67/52/449086752.db2.gz GFIXWUOSUAPSCX-KRWDZBQOSA-N 2 0 345.443 1.260 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C(C)(C)C ZINC000592965398 449089069 /nfs/dbraw/zinc/08/90/69/449089069.db2.gz QOXGMLGEPOCVPJ-UKRRQHHQSA-N 2 0 335.496 1.815 20 0 EDADRP c1nc(N2CCCC2)ncc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249306 449093442 /nfs/dbraw/zinc/09/34/42/449093442.db2.gz UYTKOXHPMWPWKI-GOSISDBHSA-N 2 0 345.491 1.667 20 0 EDADRP CSC1(CNC(=O)N2CC[NH2+]C[C@H]2C(C)C)CC[NH+](C)CC1 ZINC000599923986 449110934 /nfs/dbraw/zinc/11/09/34/449110934.db2.gz MOALAXYLMFWYGD-AWEZNQCLSA-N 2 0 328.526 1.453 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)[C@H](C)C1 ZINC000604418249 449228148 /nfs/dbraw/zinc/22/81/48/449228148.db2.gz NMCIIYQAXZHBAA-APWZRJJASA-N 2 0 347.503 1.941 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)c(F)c1 ZINC000593915997 449283088 /nfs/dbraw/zinc/28/30/88/449283088.db2.gz NFWXVOVECVRNFB-LBPRGKRZSA-N 2 0 331.395 1.247 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000590949259 449353918 /nfs/dbraw/zinc/35/39/18/449353918.db2.gz QTGYIHJJABGABE-SFHVURJKSA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000611696496 449385968 /nfs/dbraw/zinc/38/59/68/449385968.db2.gz QWVKYDWCWRYWGN-SFHVURJKSA-N 2 0 345.487 1.439 20 0 EDADRP C[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C1CC[NH+](C)CC1 ZINC000606689306 449506454 /nfs/dbraw/zinc/50/64/54/449506454.db2.gz CXACWZAQSXKEAL-AWEZNQCLSA-N 2 0 326.485 1.127 20 0 EDADRP COC(=O)c1cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000600712079 449510539 /nfs/dbraw/zinc/51/05/39/449510539.db2.gz VZKZORYJYNITCX-MAZHCROVSA-N 2 0 334.420 1.124 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)n2c1CCCC2 ZINC000598634910 449510856 /nfs/dbraw/zinc/51/08/56/449510856.db2.gz UZXVJTCEUZBSNR-OAHLLOKOSA-N 2 0 348.491 1.337 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000600715417 449513211 /nfs/dbraw/zinc/51/32/11/449513211.db2.gz YBGLKDJFHXBRQB-YQQAZPJKSA-N 2 0 349.479 1.804 20 0 EDADRP CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000594583263 449584467 /nfs/dbraw/zinc/58/44/67/449584467.db2.gz GFJAIZZGARNKQN-LSDHHAIUSA-N 2 0 327.469 1.140 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4oc(=O)n(C)c4c3)C2)CC1 ZINC000602462216 449608529 /nfs/dbraw/zinc/60/85/29/449608529.db2.gz AUOVXAQWZYGKFM-MRXNPFEDSA-N 2 0 344.459 1.343 20 0 EDADRP COC(=O)CC1CCC([NH2+]CCCN2CCC[N@H+](C)CC2)CC1 ZINC000599028768 449704043 /nfs/dbraw/zinc/70/40/43/449704043.db2.gz XNFOZVOIHVHDSW-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)C1([NH+](C)C)CC1 ZINC000614705521 449763987 /nfs/dbraw/zinc/76/39/87/449763987.db2.gz ZJQCYOVUHFGMBH-UHFFFAOYSA-N 2 0 344.503 1.357 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786650 449808573 /nfs/dbraw/zinc/80/85/73/449808573.db2.gz SKIZDRLTOZFUGF-MSOLQXFVSA-N 2 0 334.508 1.240 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000608348547 449813529 /nfs/dbraw/zinc/81/35/29/449813529.db2.gz GMHHOKRUEZUSDZ-GOSISDBHSA-N 2 0 346.475 1.523 20 0 EDADRP CS[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@@H]1[NH+](C)C ZINC000602800827 449819366 /nfs/dbraw/zinc/81/93/66/449819366.db2.gz VQAJQKNAHDBGEV-OTWHNJEPSA-N 2 0 349.544 1.601 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000608629098 449890905 /nfs/dbraw/zinc/89/09/05/449890905.db2.gz FMTRHYARAILQAO-JKSUJKDBSA-N 2 0 339.528 1.137 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@]1(C)c1ccccc1 ZINC000608705772 449917103 /nfs/dbraw/zinc/91/71/03/449917103.db2.gz KJSQJQCQPLAVMO-PKOBYXMFSA-N 2 0 332.492 1.851 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612877516 449922284 /nfs/dbraw/zinc/92/22/84/449922284.db2.gz YHGWJLKKIQCPHA-MJGOQNOKSA-N 2 0 345.491 1.026 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000612996723 449977899 /nfs/dbraw/zinc/97/78/99/449977899.db2.gz RVHVYUNBYSPRRM-YESZJQIVSA-N 2 0 346.450 1.713 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000601476980 450000343 /nfs/dbraw/zinc/00/03/43/450000343.db2.gz NKEDHMWMDNPQJA-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC000615275268 450039707 /nfs/dbraw/zinc/03/97/07/450039707.db2.gz XVZYKPIQBVMEFD-UHFFFAOYSA-N 2 0 330.476 1.068 20 0 EDADRP CNC(=O)c1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000610250304 450163807 /nfs/dbraw/zinc/16/38/07/450163807.db2.gz PPZQJICOUYLPHC-IBGZPJMESA-N 2 0 344.503 1.647 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657100 450132864 /nfs/dbraw/zinc/13/28/64/450132864.db2.gz CLENIXBTLJFEBC-CQSZACIVSA-N 2 0 334.464 1.804 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000623056275 450385169 /nfs/dbraw/zinc/38/51/69/450385169.db2.gz UQGIDSUEHCHPRM-HNNXBMFYSA-N 2 0 347.463 1.067 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257526 450585638 /nfs/dbraw/zinc/58/56/38/450585638.db2.gz ISVYEMPMKNVQRI-IRXDYDNUSA-N 2 0 325.497 1.556 20 0 EDADRP Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(c3cc(C)ccn3)CC1)CC2 ZINC000626165292 450595433 /nfs/dbraw/zinc/59/54/33/450595433.db2.gz MRXPDYMEWJZTLN-INIZCTEOSA-N 2 0 339.443 1.806 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627302315 450632869 /nfs/dbraw/zinc/63/28/69/450632869.db2.gz HWGJSMYQFDQKOK-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP O=C(N1CCN(CC[NH+]2CCCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635149648 450697079 /nfs/dbraw/zinc/69/70/79/450697079.db2.gz RMRDOICYSWEMNP-UHFFFAOYSA-N 2 0 334.508 1.102 20 0 EDADRP COc1cccc(N2CC[C@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629558348 450735353 /nfs/dbraw/zinc/73/53/53/450735353.db2.gz GDGHOVXDFLGMRD-SJLPKXTDSA-N 2 0 333.476 1.568 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC12CC3CC(CC(C3)C1)C2 ZINC000629565242 450738972 /nfs/dbraw/zinc/73/89/72/450738972.db2.gz DELRQIOASKMBAM-ISOUWHGUSA-N 2 0 337.508 1.628 20 0 EDADRP [NH3+]C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000629653996 450772542 /nfs/dbraw/zinc/77/25/42/450772542.db2.gz KZFAQMJCHOZQSU-VHSXEESVSA-N 2 0 334.411 1.748 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](CC3=CCCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000629649792 450770434 /nfs/dbraw/zinc/77/04/34/450770434.db2.gz GMHWPSMAWBXHMP-MRXNPFEDSA-N 2 0 331.464 1.345 20 0 EDADRP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826214 450799905 /nfs/dbraw/zinc/79/99/05/450799905.db2.gz HYEJAIZOYJGZBE-CVEARBPZSA-N 2 0 333.480 1.943 20 0 EDADRP CCn1cc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000621775212 450862639 /nfs/dbraw/zinc/86/26/39/450862639.db2.gz ITEOKNHRIUZNPH-DOTOQJQBSA-N 2 0 333.480 1.026 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635352911 450875937 /nfs/dbraw/zinc/87/59/37/450875937.db2.gz YQZLBINEHHQAPK-ROUUACIJSA-N 2 0 344.459 1.025 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000626854400 450961946 /nfs/dbraw/zinc/96/19/46/450961946.db2.gz KMCDZQDGEMAIOZ-UHFFFAOYSA-N 2 0 332.448 1.071 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1(c2cc(C)no2)CC1 ZINC000635464460 450964602 /nfs/dbraw/zinc/96/46/02/450964602.db2.gz IPWZNVPFMRBQJE-MRXNPFEDSA-N 2 0 348.491 1.889 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000626894535 450991632 /nfs/dbraw/zinc/99/16/32/450991632.db2.gz ZWSIBYRODSCVEY-RHSMWYFYSA-N 2 0 346.475 1.724 20 0 EDADRP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)CC1(O)CCOCC1 ZINC000630044080 450977750 /nfs/dbraw/zinc/97/77/50/450977750.db2.gz ZKSJWXCTMGKANA-IRXDYDNUSA-N 2 0 326.481 1.087 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000626920592 451004604 /nfs/dbraw/zinc/00/46/04/451004604.db2.gz FQGIYMLKQCNZER-ZDUSSCGKSA-N 2 0 328.482 1.228 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000626920955 451005150 /nfs/dbraw/zinc/00/51/50/451005150.db2.gz DOQXLNIJYMGJQZ-HNNXBMFYSA-N 2 0 338.452 1.294 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000635536625 451032865 /nfs/dbraw/zinc/03/28/65/451032865.db2.gz WPLQZHDZUHRENE-QGZVFWFLSA-N 2 0 341.496 1.058 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000635543610 451039701 /nfs/dbraw/zinc/03/97/01/451039701.db2.gz UGAGNYCNDCRRLQ-INIZCTEOSA-N 2 0 333.480 1.148 20 0 EDADRP C[N@H+](CCNC(=O)NCC1([NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000626993941 451059300 /nfs/dbraw/zinc/05/93/00/451059300.db2.gz RKEYGAZUBMTAID-UHFFFAOYSA-N 2 0 338.427 1.065 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000622134184 451059429 /nfs/dbraw/zinc/05/94/29/451059429.db2.gz XZVLBKLRHURXBO-CVEARBPZSA-N 2 0 325.497 1.769 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000632132664 451061098 /nfs/dbraw/zinc/06/10/98/451061098.db2.gz NEGQONKXPGHQFK-QGZVFWFLSA-N 2 0 327.432 1.361 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627012414 451077062 /nfs/dbraw/zinc/07/70/62/451077062.db2.gz AFPMQOXNMNGKGZ-NVXWUHKLSA-N 2 0 334.464 1.042 20 0 EDADRP CN1CCC(CNC(=O)C[C@@H]2CC[N@H+](C)C2)([NH+]2CCCCC2)CC1 ZINC000635617144 451108046 /nfs/dbraw/zinc/10/80/46/451108046.db2.gz ZNOYWICFECUERR-KRWDZBQOSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000632234852 451135225 /nfs/dbraw/zinc/13/52/25/451135225.db2.gz FUHDMJCTBSGKAO-UHFFFAOYSA-N 2 0 333.542 1.902 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000635657913 451143287 /nfs/dbraw/zinc/14/32/87/451143287.db2.gz GKQPDBAVBBKLMC-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000627185012 451172018 /nfs/dbraw/zinc/17/20/18/451172018.db2.gz JPYIVNORLBNKFG-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000627186311 451173375 /nfs/dbraw/zinc/17/33/75/451173375.db2.gz UBRYUGBOPQHRHC-KRWDZBQOSA-N 2 0 334.464 1.057 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000627197719 451181673 /nfs/dbraw/zinc/18/16/73/451181673.db2.gz MWOWQXUZQCAIRS-UONOGXRCSA-N 2 0 333.436 1.062 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000627202822 451184654 /nfs/dbraw/zinc/18/46/54/451184654.db2.gz KFPADHSLTQITDU-UONOGXRCSA-N 2 0 333.436 1.062 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C12CCC[NH+](CCC1)C2 ZINC000635720985 451198247 /nfs/dbraw/zinc/19/82/47/451198247.db2.gz FKHKWACYOBXOLL-ZACQAIPSSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CCCc1ccccc1)CC[NH+](C)C ZINC000627238278 451203358 /nfs/dbraw/zinc/20/33/58/451203358.db2.gz QWYIPSTVXPUNJE-FUHWJXTLSA-N 2 0 332.492 1.943 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000635741071 451210746 /nfs/dbraw/zinc/21/07/46/451210746.db2.gz ASYQMSLHWZGHDT-QYZOEREBSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750434 451218442 /nfs/dbraw/zinc/21/84/42/451218442.db2.gz RYAYZWYOPJUXNO-SJORKVTESA-N 2 0 338.540 1.449 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638084030 451248234 /nfs/dbraw/zinc/24/82/34/451248234.db2.gz MIHVZIAACRZHFV-RTBURBONSA-N 2 0 344.503 1.533 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000638086656 451252691 /nfs/dbraw/zinc/25/26/91/451252691.db2.gz IDEOCMDNMCFGON-SFHVURJKSA-N 2 0 348.447 1.271 20 0 EDADRP CN(C(=O)CCC1C[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000638089105 451253958 /nfs/dbraw/zinc/25/39/58/451253958.db2.gz SDQIYAXNDGZWJV-UHFFFAOYSA-N 2 0 330.476 1.547 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000638091756 451256875 /nfs/dbraw/zinc/25/68/75/451256875.db2.gz YESRSDLBORHTAZ-AWEZNQCLSA-N 2 0 348.447 1.858 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000638095224 451258929 /nfs/dbraw/zinc/25/89/29/451258929.db2.gz BJYPBGSMMKJUOB-LPHOPBHVSA-N 2 0 349.475 2.000 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000638117842 451286831 /nfs/dbraw/zinc/28/68/31/451286831.db2.gz PDOUGQOZNDPZDN-ZWKOTPCHSA-N 2 0 348.535 1.928 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638101626 451268003 /nfs/dbraw/zinc/26/80/03/451268003.db2.gz VUYXYEQNDGSDGP-HXUWFJFHSA-N 2 0 345.487 1.736 20 0 EDADRP [NH3+][C@@H](c1cn(C[C@@H]2CCC[NH2+]2)nn1)c1ccc(Br)cc1 ZINC000630605530 451272611 /nfs/dbraw/zinc/27/26/11/451272611.db2.gz KYIHLQMHCYHLKA-GXTWGEPZSA-N 2 0 336.237 1.841 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@H](C)C1 ZINC000638114448 451283373 /nfs/dbraw/zinc/28/33/73/451283373.db2.gz JMEAHYFEXPNFPM-WBMJQRKESA-N 2 0 343.468 1.635 20 0 EDADRP COC[C@]1(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CCCC[NH2+]1 ZINC000638119918 451288958 /nfs/dbraw/zinc/28/89/58/451288958.db2.gz BNGGJVJIBRPIMG-FQEVSTJZSA-N 2 0 345.487 1.361 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000638120737 451289597 /nfs/dbraw/zinc/28/95/97/451289597.db2.gz CCQRQUXESXHWAN-MOPGFXCFSA-N 2 0 344.503 1.390 20 0 EDADRP O=C(CCC1C[NH2+]C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000638128338 451298696 /nfs/dbraw/zinc/29/86/96/451298696.db2.gz KOYURMKBVDHTPB-UHFFFAOYSA-N 2 0 331.460 1.259 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638135369 451308845 /nfs/dbraw/zinc/30/88/45/451308845.db2.gz TXUQSNHHYZPZRP-FGTMMUONSA-N 2 0 331.460 1.473 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCN(c2cc[nH+]cc2)CC1 ZINC000638137276 451310227 /nfs/dbraw/zinc/31/02/27/451310227.db2.gz SRZDORNBDQBHCP-UHFFFAOYSA-N 2 0 336.439 1.619 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000638138068 451312198 /nfs/dbraw/zinc/31/21/98/451312198.db2.gz UUEBHFXVZAYSQD-KRWDZBQOSA-N 2 0 332.492 1.309 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638139587 451314928 /nfs/dbraw/zinc/31/49/28/451314928.db2.gz MSKLFAKVOFZOFT-KRWDZBQOSA-N 2 0 338.540 1.816 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000640443073 451319244 /nfs/dbraw/zinc/31/92/44/451319244.db2.gz JKGUDELUEOYQDT-UHFFFAOYSA-N 2 0 336.484 1.955 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000638155550 451325725 /nfs/dbraw/zinc/32/57/25/451325725.db2.gz LGRYUVMAKBTQCL-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@@H](C)C[NH2+]1 ZINC000638158820 451327901 /nfs/dbraw/zinc/32/79/01/451327901.db2.gz MAHAWCAJUTZNGT-OLZOCXBDSA-N 2 0 345.447 1.126 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000638172265 451334607 /nfs/dbraw/zinc/33/46/07/451334607.db2.gz VEKBHOMWMNPOPR-DZGCQCFKSA-N 2 0 327.350 1.917 20 0 EDADRP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]CC2)CCN(Cc2ccccc2)CC1 ZINC000638196310 451350110 /nfs/dbraw/zinc/35/01/10/451350110.db2.gz YJHXJDMHCVMDAH-GOSISDBHSA-N 2 0 344.503 1.628 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC3(CC[NH2+]CC3)CC2)c1 ZINC000638200006 451351889 /nfs/dbraw/zinc/35/18/89/451351889.db2.gz XASUVPIDKQXWEV-QGZVFWFLSA-N 2 0 331.460 1.557 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000638269511 451389560 /nfs/dbraw/zinc/38/95/60/451389560.db2.gz PUVWHQXHFANQGI-GXTWGEPZSA-N 2 0 345.447 1.161 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000638251042 451381990 /nfs/dbraw/zinc/38/19/90/451381990.db2.gz MEFBRPSLJATNBB-AOIWGVFYSA-N 2 0 345.487 1.803 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253117 451383208 /nfs/dbraw/zinc/38/32/08/451383208.db2.gz YUQHMTMSRGWVGI-HOTGVXAUSA-N 2 0 333.480 1.297 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cc(C[NH+](C)C)ccn2)CCO1 ZINC000640576988 451421845 /nfs/dbraw/zinc/42/18/45/451421845.db2.gz JZMKYXOGKHSZJQ-INIZCTEOSA-N 2 0 349.479 1.718 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CCCC[NH2+]1 ZINC000638309784 451423290 /nfs/dbraw/zinc/42/32/90/451423290.db2.gz NNGUWJXVZJODFQ-AYBZRNKSSA-N 2 0 335.492 1.620 20 0 EDADRP C[NH+]1CCC(CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000636732437 451454229 /nfs/dbraw/zinc/45/42/29/451454229.db2.gz IXKCYNBCCWZUAS-UHFFFAOYSA-N 2 0 334.468 1.613 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](OC)C2CCOCC2)CC1 ZINC000638359343 451458892 /nfs/dbraw/zinc/45/88/92/451458892.db2.gz KETXKWMYYWWOTI-SFHVURJKSA-N 2 0 327.513 1.435 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@]3(OC)CCOC3)cc2)CC1 ZINC000638373825 451470528 /nfs/dbraw/zinc/47/05/28/451470528.db2.gz JXSKWUFPIWPYPR-FQEVSTJZSA-N 2 0 347.503 1.719 20 0 EDADRP O[C@]1(CN[C@H]2CC[N@H+](CC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634704983 451481011 /nfs/dbraw/zinc/48/10/11/451481011.db2.gz SQAJAOJNBQLPDW-PMACEKPBSA-N 2 0 329.488 1.697 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000638339549 451443883 /nfs/dbraw/zinc/44/38/83/451443883.db2.gz MOYRDMFOVIFPBL-BZSNNMDCSA-N 2 0 347.459 1.440 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC2C[NH2+]C2)cc1F ZINC000638411602 451497178 /nfs/dbraw/zinc/49/71/78/451497178.db2.gz JWDLMXQRSQOVQA-HOCLYGCPSA-N 2 0 335.423 1.396 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000638413458 451499966 /nfs/dbraw/zinc/49/99/66/451499966.db2.gz XHGAHZNFLHJRBC-SNRMKQJTSA-N 2 0 345.487 1.989 20 0 EDADRP CN1CCN(C(=O)CNCc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638439586 451517543 /nfs/dbraw/zinc/51/75/43/451517543.db2.gz HPGWTHQSKIQVFH-UHFFFAOYSA-N 2 0 334.370 1.377 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]CC(C)(C)N3CCOCC3)CC2)CC1 ZINC000638460510 451527408 /nfs/dbraw/zinc/52/74/08/451527408.db2.gz YHGXEHRLNQOZOV-UHFFFAOYSA-N 2 0 338.540 1.245 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C2)cc1 ZINC000632706370 451530882 /nfs/dbraw/zinc/53/08/82/451530882.db2.gz CWFGYDGEJSAGHR-KRWDZBQOSA-N 2 0 339.505 1.440 20 0 EDADRP CC(C)c1nccn1CC(=O)N[C@@H](c1nccn1C)C(C)(C)CO ZINC000636145359 451546712 /nfs/dbraw/zinc/54/67/12/451546712.db2.gz ZGRXTZKAFLWSFG-AWEZNQCLSA-N 2 0 333.436 1.616 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)cn1 ZINC000638514281 451553711 /nfs/dbraw/zinc/55/37/11/451553711.db2.gz SEZLISBGQNOPBT-UHFFFAOYSA-N 2 0 343.475 1.434 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000638514868 451553861 /nfs/dbraw/zinc/55/38/61/451553861.db2.gz XFULXRCPHLPLNN-IBGZPJMESA-N 2 0 344.503 1.261 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638527835 451559670 /nfs/dbraw/zinc/55/96/70/451559670.db2.gz ZUPDXTWEFZJMHW-CZUORRHYSA-N 2 0 332.448 1.305 20 0 EDADRP CC(C)[C@](C)(O)C[NH2+]Cc1ccc(OCCN2CCOCC2)cc1 ZINC000631069423 451567018 /nfs/dbraw/zinc/56/70/18/451567018.db2.gz BYLXXSROWUXBSR-LJQANCHMSA-N 2 0 336.476 1.894 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCCc3cccc(C[NH3+])c32)cn1 ZINC000638542917 451569615 /nfs/dbraw/zinc/56/96/15/451569615.db2.gz NWBNHHVBWOUWBA-UHFFFAOYSA-N 2 0 327.432 1.496 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)[C@]12CCCO2 ZINC000638553176 451573879 /nfs/dbraw/zinc/57/38/79/451573879.db2.gz RKIOQYQFDFSDSV-INDMIFKZSA-N 2 0 339.524 1.576 20 0 EDADRP CO[C@@H](C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)Cc1ccccc1 ZINC000638570566 451581736 /nfs/dbraw/zinc/58/17/36/451581736.db2.gz DSKFCGBFRKJADC-QZTJIDSGSA-N 2 0 333.476 1.421 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCN1 ZINC000634975423 451633352 /nfs/dbraw/zinc/63/33/52/451633352.db2.gz YFTAINPASPGUSR-QZTJIDSGSA-N 2 0 331.460 1.402 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+]3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000631192997 451635161 /nfs/dbraw/zinc/63/51/61/451635161.db2.gz SNFFQTQRYCKSHS-ZWKOTPCHSA-N 2 0 336.524 1.203 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638676652 451646943 /nfs/dbraw/zinc/64/69/43/451646943.db2.gz ZOECYDAYVCZOSE-INIZCTEOSA-N 2 0 337.439 1.471 20 0 EDADRP C[C@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[N@H+](C)Cc1ccccc1 ZINC000631222869 451648426 /nfs/dbraw/zinc/64/84/26/451648426.db2.gz VXYKXOJTPZGUGG-MRXNPFEDSA-N 2 0 343.475 1.695 20 0 EDADRP c1nc([C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc2)n[nH]1 ZINC000635007052 451648544 /nfs/dbraw/zinc/64/85/44/451648544.db2.gz DJWQYMFAQPPYJL-KRWDZBQOSA-N 2 0 335.415 1.811 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000638746561 451673517 /nfs/dbraw/zinc/67/35/17/451673517.db2.gz HTXSWWJIDJYROG-QGZVFWFLSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C1CC[NH2+]CC1 ZINC000638780466 451688837 /nfs/dbraw/zinc/68/88/37/451688837.db2.gz QTOQKFYJSWUCKZ-QAPCUYQASA-N 2 0 337.508 1.629 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000638782781 451690423 /nfs/dbraw/zinc/69/04/23/451690423.db2.gz BMDOWCXINCIEMQ-ZWKOTPCHSA-N 2 0 331.460 1.694 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)c1cccn1C1CC[NH2+]CC1 ZINC000638842270 451707266 /nfs/dbraw/zinc/70/72/66/451707266.db2.gz NISPLPYEISHRCL-UHFFFAOYSA-N 2 0 338.455 1.988 20 0 EDADRP COCC[NH2+]CC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851516 451710108 /nfs/dbraw/zinc/71/01/08/451710108.db2.gz NJFVGYMTUSXYGE-GOSISDBHSA-N 2 0 333.476 1.783 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851556 451710432 /nfs/dbraw/zinc/71/04/32/451710432.db2.gz OMQDJLKNUFWFSL-KURKYZTESA-N 2 0 331.460 1.664 20 0 EDADRP C[C@]1(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638852191 451711179 /nfs/dbraw/zinc/71/11/79/451711179.db2.gz VRVCJPQCWALLAB-UYAOXDASSA-N 2 0 345.487 1.926 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C2)cc1 ZINC000637078981 451712798 /nfs/dbraw/zinc/71/27/98/451712798.db2.gz QHGVUQWSRJYYAG-GOSISDBHSA-N 2 0 348.491 1.447 20 0 EDADRP C[C@@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000632960347 451669212 /nfs/dbraw/zinc/66/92/12/451669212.db2.gz GFUVCFYYZCLQJC-ZIAGYGMSSA-N 2 0 334.468 1.659 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987479 451747751 /nfs/dbraw/zinc/74/77/51/451747751.db2.gz RBGZJOYUZKYJAE-JKSUJKDBSA-N 3 0 331.464 1.727 20 0 EDADRP O=C(NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]CC1 ZINC000641092590 451747809 /nfs/dbraw/zinc/74/78/09/451747809.db2.gz YRBJVHWMYFTUKI-HKUYNNGSSA-N 2 0 346.475 1.065 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@]12C[C@H]1COC2(C)C ZINC000637264177 451773842 /nfs/dbraw/zinc/77/38/42/451773842.db2.gz KXMDDZKCJDJGIV-GRDNDAEWSA-N 2 0 326.485 1.125 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccccc2OCCCCO)CC1(C)C ZINC000639134959 451774242 /nfs/dbraw/zinc/77/42/42/451774242.db2.gz ASRSATXCERGGKK-UHFFFAOYSA-N 2 0 349.519 1.954 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000644523977 451839317 /nfs/dbraw/zinc/83/93/17/451839317.db2.gz FICYLERMDNXZQL-KZNAEPCWSA-N 2 0 347.459 1.601 20 0 EDADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)[C@H]1CCC[NH2+]C1 ZINC000653267361 451805235 /nfs/dbraw/zinc/80/52/35/451805235.db2.gz OKDNEKWBOIDQTA-ILOCAZANSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)[C@@H](C)N1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000637378976 451811484 /nfs/dbraw/zinc/81/14/84/451811484.db2.gz AAGXUPUUEMOZSX-RBSFLKMASA-N 2 0 334.464 1.575 20 0 EDADRP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639306656 451818191 /nfs/dbraw/zinc/81/81/91/451818191.db2.gz GJPSVYCTBRLJCW-OIISXLGYSA-N 2 0 328.497 1.377 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000644561568 451861857 /nfs/dbraw/zinc/86/18/57/451861857.db2.gz AXIPPKZJEXYZNF-MJGOQNOKSA-N 2 0 347.503 1.493 20 0 EDADRP c1ccc([C@@H](CN2C[C@H]3C[NH2+]C[C@H]3C2)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457487 451877985 /nfs/dbraw/zinc/87/79/85/451877985.db2.gz UBJRSQYOANKRPE-ALGQRKQJSA-N 3 0 340.515 1.073 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644584152 451878031 /nfs/dbraw/zinc/87/80/31/451878031.db2.gz LFLBGGFIKZEZHW-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000649272874 451944486 /nfs/dbraw/zinc/94/44/86/451944486.db2.gz LXNGEQWDUSUJIU-BPQIPLTHSA-N 2 0 341.459 1.045 20 0 EDADRP CC1(C)C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000649273846 451946140 /nfs/dbraw/zinc/94/61/40/451946140.db2.gz QAXCCVGFVVAVIF-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(COC)CCC[NH2+]2)cc1 ZINC000649281391 451954761 /nfs/dbraw/zinc/95/47/61/451954761.db2.gz DMJATGYPHCKIGM-LJQANCHMSA-N 2 0 333.476 1.913 20 0 EDADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000649306727 451983537 /nfs/dbraw/zinc/98/35/37/451983537.db2.gz LJVFYOLFHWECIO-LJQANCHMSA-N 2 0 346.475 1.093 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)ccc1OC ZINC000649308639 451986595 /nfs/dbraw/zinc/98/65/95/451986595.db2.gz RWICTFZSVAHONB-HWWDLCQESA-N 2 0 347.459 1.820 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327000 452006170 /nfs/dbraw/zinc/00/61/70/452006170.db2.gz NIUSDAJFGLERTC-HOTGVXAUSA-N 2 0 331.464 1.047 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000649334092 452014503 /nfs/dbraw/zinc/01/45/03/452014503.db2.gz IAKCHHCYOCNDAH-QGZVFWFLSA-N 2 0 344.503 1.347 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649332911 452014973 /nfs/dbraw/zinc/01/49/73/452014973.db2.gz VFJDLJBVLGUEAF-PIIMJCKOSA-N 2 0 329.444 1.243 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C(C)(C)C ZINC000649335771 452016447 /nfs/dbraw/zinc/01/64/47/452016447.db2.gz XWSBCBNEGTWEID-UKRRQHHQSA-N 2 0 336.484 1.126 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000653566581 452019021 /nfs/dbraw/zinc/01/90/21/452019021.db2.gz ZMCXFSPCYHEUBU-OALUTQOASA-N 2 0 335.492 1.132 20 0 EDADRP COCCC1(C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC[NH2+]CC1 ZINC000649341647 452020686 /nfs/dbraw/zinc/02/06/86/452020686.db2.gz NLKOZXRJIJTPKY-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP COc1cc(OC)c(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1F ZINC000651706942 452025857 /nfs/dbraw/zinc/02/58/57/452025857.db2.gz SHNMRNVDQLLLEO-CYBMUJFWSA-N 2 0 325.428 1.568 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2CCC[C@H]2C[NH3+])c2ccccc2)CC1 ZINC000649350574 452033756 /nfs/dbraw/zinc/03/37/56/452033756.db2.gz PTFCEUYGMPSNRB-FHWLQOOXSA-N 2 0 344.503 1.466 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000649351061 452035601 /nfs/dbraw/zinc/03/56/01/452035601.db2.gz HWYAJSDRCDPDEB-UHFFFAOYSA-N 2 0 332.492 1.832 20 0 EDADRP [NH3+]C1(CC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)CCC1 ZINC000647094157 452056867 /nfs/dbraw/zinc/05/68/67/452056867.db2.gz MPHCDIMCPBAZRB-UHFFFAOYSA-N 2 0 345.491 1.854 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417924 452080559 /nfs/dbraw/zinc/08/05/59/452080559.db2.gz OKPKSSZBEHSIJB-OKZBNKHCSA-N 2 0 336.524 1.251 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000637806486 452092074 /nfs/dbraw/zinc/09/20/74/452092074.db2.gz LFWLPCYFUYDBNQ-SFHVURJKSA-N 2 0 330.476 1.189 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637822996 452102335 /nfs/dbraw/zinc/10/23/35/452102335.db2.gz CCXHCMCAHYDLBO-VDZJLULYSA-N 2 0 331.460 1.379 20 0 EDADRP C[NH+](C)CCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644994568 452103042 /nfs/dbraw/zinc/10/30/42/452103042.db2.gz JZKOJYSOKRZIQD-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841730 452112249 /nfs/dbraw/zinc/11/22/49/452112249.db2.gz MDAUZTNYADSCIB-IBGZPJMESA-N 2 0 338.455 1.730 20 0 EDADRP C[C@@H](O)C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000653896521 452166077 /nfs/dbraw/zinc/16/60/77/452166077.db2.gz UECXQMRXIXGLQX-MRXNPFEDSA-N 2 0 345.487 1.744 20 0 EDADRP COc1ccc([C@@H](CNC(=O)COCC[NH3+])[NH+]2CCCCC2)cc1 ZINC000645182286 452198972 /nfs/dbraw/zinc/19/89/72/452198972.db2.gz BYQVCTUQMWDJDX-QGZVFWFLSA-N 2 0 335.448 1.314 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641697206 452205534 /nfs/dbraw/zinc/20/55/34/452205534.db2.gz ASGVAWVNBRAZJO-UHFFFAOYSA-N 2 0 333.542 1.856 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1cccc(OCC(F)(F)F)c1 ZINC000647493093 452236594 /nfs/dbraw/zinc/23/65/94/452236594.db2.gz UGTMIRMMXXFLFF-UHFFFAOYSA-N 2 0 331.382 1.965 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000663551811 452258093 /nfs/dbraw/zinc/25/80/93/452258093.db2.gz KESOOMKRPLPQRY-HZPDHXFCSA-N 2 0 342.528 1.905 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000641788913 452266099 /nfs/dbraw/zinc/26/60/99/452266099.db2.gz WEZKADDFADNESR-FHWLQOOXSA-N 3 0 338.540 1.103 20 0 EDADRP COc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c1 ZINC000647541262 452273614 /nfs/dbraw/zinc/27/36/14/452273614.db2.gz VBYORYXQUJQHDO-KRWDZBQOSA-N 2 0 341.459 1.565 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[C@H]1F ZINC000659429921 452273755 /nfs/dbraw/zinc/27/37/55/452273755.db2.gz ZIVVJHFLONTBAG-IAGOWNOFSA-N 2 0 334.439 1.863 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CCO)CC1 ZINC000661495491 452298359 /nfs/dbraw/zinc/29/83/59/452298359.db2.gz VRKZINRDNMWPAU-DOTOQJQBSA-N 2 0 325.497 1.458 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000652119741 452314486 /nfs/dbraw/zinc/31/44/86/452314486.db2.gz XGPIWZFXWWFFIF-SFHVURJKSA-N 2 0 332.492 1.848 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000652120492 452316503 /nfs/dbraw/zinc/31/65/03/452316503.db2.gz WMSAAJMTSPVNHR-GOSISDBHSA-N 2 0 348.491 1.562 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000638051013 452323568 /nfs/dbraw/zinc/32/35/68/452323568.db2.gz AXSQLFQQAIPRPA-VBQJREDUSA-N 2 0 337.489 1.768 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652127371 452324754 /nfs/dbraw/zinc/32/47/54/452324754.db2.gz PHDCPWDNBAKGOH-LTIDMASMSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000659472422 452330415 /nfs/dbraw/zinc/33/04/15/452330415.db2.gz HYQSPMKAAQIGNL-SZMVWBNQSA-N 2 0 330.476 1.948 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659477787 452336663 /nfs/dbraw/zinc/33/66/63/452336663.db2.gz MVOLIWOPBDRIQN-QGZVFWFLSA-N 2 0 333.480 1.971 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000638056570 452340595 /nfs/dbraw/zinc/34/05/95/452340595.db2.gz MWJXEGGBTHVATQ-MAUKXSAKSA-N 2 0 333.476 1.946 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000657573705 452342727 /nfs/dbraw/zinc/34/27/27/452342727.db2.gz PGMDQINHDNMPAP-HNNXBMFYSA-N 2 0 330.480 1.833 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000647624604 452361102 /nfs/dbraw/zinc/36/11/02/452361102.db2.gz HKQHKLHPGYDZAY-HKUYNNGSSA-N 2 0 337.508 1.699 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000645388657 452364840 /nfs/dbraw/zinc/36/48/40/452364840.db2.gz ZYBZZAZPEVQWHF-UHFFFAOYSA-N 2 0 345.553 1.205 20 0 EDADRP O=C(NCC[NH2+]C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659510313 452375660 /nfs/dbraw/zinc/37/56/60/452375660.db2.gz NRRYOSJMEBVWAR-BBRMVZONSA-N 2 0 338.402 1.462 20 0 EDADRP CC(C)(CNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000638070487 452376328 /nfs/dbraw/zinc/37/63/28/452376328.db2.gz YNJRPXMCELMVLU-HXUWFJFHSA-N 2 0 345.487 1.695 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638079141 452391515 /nfs/dbraw/zinc/39/15/15/452391515.db2.gz AZYKCAGMDHTPIA-ICSRJNTNSA-N 2 0 345.487 1.770 20 0 EDADRP COc1cncc(/C=C/CC[N@H+](C)CC(=O)N2CCN(C)CC2)c1 ZINC000640051173 452395212 /nfs/dbraw/zinc/39/52/12/452395212.db2.gz KHWUAFHRSHPCIK-GQCTYLIASA-N 2 0 332.448 1.199 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCO1 ZINC000659552205 452409162 /nfs/dbraw/zinc/40/91/62/452409162.db2.gz OVLGTPNBAKXLDK-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659580765 452434880 /nfs/dbraw/zinc/43/48/80/452434880.db2.gz DUKYSOUNIYFHFK-GVDBMIGSSA-N 2 0 334.439 1.794 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659581033 452436914 /nfs/dbraw/zinc/43/69/14/452436914.db2.gz HVQZZXCCOBIUMK-XDKFSHSGSA-N 2 0 346.450 1.665 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589494 452446001 /nfs/dbraw/zinc/44/60/01/452446001.db2.gz RBLYGDLVRBCJCV-GVDBMIGSSA-N 2 0 334.439 1.794 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(c3cc(N4CCC(C)(O)CC4)ncn3)CC[C@H]21 ZINC000663720249 452457522 /nfs/dbraw/zinc/45/75/22/452457522.db2.gz HLJZEHVOTGBVNL-HZPDHXFCSA-N 2 0 345.491 1.748 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)c(F)c1 ZINC000652281521 452466827 /nfs/dbraw/zinc/46/68/27/452466827.db2.gz BIDSUKJUKSBESQ-UHFFFAOYSA-N 2 0 343.406 1.711 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507166 452473540 /nfs/dbraw/zinc/47/35/40/452473540.db2.gz CADPQSORTZDXPT-QGZVFWFLSA-N 2 0 330.476 1.048 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659617286 452474953 /nfs/dbraw/zinc/47/49/53/452474953.db2.gz SOMDIOWISSOKBP-UHFFFAOYSA-N 2 0 334.439 1.651 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000659619719 452476498 /nfs/dbraw/zinc/47/64/98/452476498.db2.gz SGWHYHOEBJXQMV-BZUAXINKSA-N 2 0 326.485 1.288 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000659635129 452497397 /nfs/dbraw/zinc/49/73/97/452497397.db2.gz AVPFFEVZTLHQFZ-KRWDZBQOSA-N 2 0 332.492 1.944 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NCc3ccccc3F)C2)C1 ZINC000652346906 452522687 /nfs/dbraw/zinc/52/26/87/452522687.db2.gz LFOISJKCTVHUHS-JZXOWHBKSA-N 2 0 349.450 1.660 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792266 452524988 /nfs/dbraw/zinc/52/49/88/452524988.db2.gz XSZPWIWBMDDNPB-BFYDXBDKSA-N 2 0 343.537 1.414 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654460850 452527404 /nfs/dbraw/zinc/52/74/04/452527404.db2.gz BQMKBJLUJQBOKP-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP c1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(OC[C@H]2CCOC2)cn1 ZINC000647797830 452528549 /nfs/dbraw/zinc/52/85/49/452528549.db2.gz DBPXWKMBQDBYJX-BURFUSLBSA-N 2 0 331.460 1.975 20 0 EDADRP O[C@]12C[C@H]1C[NH+](Cc1ccccc1C[N@@H+]1CC[C@@]3(O)C[C@H]3C1)CC2 ZINC000661723273 452530592 /nfs/dbraw/zinc/53/05/92/452530592.db2.gz XPTNBKQQYUVSEE-VNTMZGSJSA-N 2 0 328.456 1.600 20 0 EDADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cn21 ZINC000647804558 452536957 /nfs/dbraw/zinc/53/69/57/452536957.db2.gz URBNTTXEDPWSBH-RCCFBDPRSA-N 2 0 328.460 1.932 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN([C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730890 452543306 /nfs/dbraw/zinc/54/33/06/452543306.db2.gz VOMVVWKSRAXIEJ-SCTDSRPQSA-N 2 0 339.524 1.719 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000657835757 452558884 /nfs/dbraw/zinc/55/88/84/452558884.db2.gz OFPHJHIORZGMSC-SFHVURJKSA-N 2 0 327.513 1.435 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)CC(C)C ZINC000659685880 452561142 /nfs/dbraw/zinc/56/11/42/452561142.db2.gz VBUDLOWITRDIHS-OAHLLOKOSA-N 2 0 340.512 1.247 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663849991 452576516 /nfs/dbraw/zinc/57/65/16/452576516.db2.gz OVDJDZXZXGDUCZ-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CCCNC(=O)C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000647874782 452614366 /nfs/dbraw/zinc/61/43/66/452614366.db2.gz YDBWQJXNQIFNSH-ROUUACIJSA-N 2 0 333.476 1.156 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655909574 452666273 /nfs/dbraw/zinc/66/62/73/452666273.db2.gz BEFJWKJLVIRANT-CQSZACIVSA-N 2 0 344.381 1.840 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000655912842 452670698 /nfs/dbraw/zinc/67/06/98/452670698.db2.gz RBSWNTDCUUXYPT-STQMWFEESA-N 2 0 332.370 1.348 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CCO1 ZINC000663983582 452689788 /nfs/dbraw/zinc/68/97/88/452689788.db2.gz YHWIUHXEYINCPK-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP Cc1cc(NC(=O)NCC[C@@H](C)[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000666282832 452741908 /nfs/dbraw/zinc/74/19/08/452741908.db2.gz MIHJVSVFPFDSIJ-CQSZACIVSA-N 2 0 336.484 1.920 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000648030324 452765305 /nfs/dbraw/zinc/76/53/05/452765305.db2.gz SOCMLJCLAMKVRR-AWEZNQCLSA-N 2 0 328.420 1.151 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccnn1-c1ccccn1 ZINC000648034797 452770200 /nfs/dbraw/zinc/77/02/00/452770200.db2.gz GVTTWCZVHUDSSU-UHFFFAOYSA-N 2 0 328.464 1.337 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2[nH]nc3ccccc32)(N2CCOCC2)CC1 ZINC000666407277 452846660 /nfs/dbraw/zinc/84/66/60/452846660.db2.gz XKGFJSXASFYRPW-UHFFFAOYSA-N 2 0 343.475 1.449 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000652702412 452853551 /nfs/dbraw/zinc/85/35/51/452853551.db2.gz WOCUKOVZZALDGV-OAHLLOKOSA-N 2 0 346.475 1.267 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)[C@@H]1CCN2CCO[C@H]1C2 ZINC000654734147 452858414 /nfs/dbraw/zinc/85/84/14/452858414.db2.gz BMOUHQUUGCLSBW-TWMKSMIVSA-N 2 0 336.480 1.118 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)o1 ZINC000650596560 452867262 /nfs/dbraw/zinc/86/72/62/452867262.db2.gz QNRNFBWBIHGERP-HNNXBMFYSA-N 2 0 337.464 1.698 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000648177930 452890322 /nfs/dbraw/zinc/89/03/22/452890322.db2.gz BXRYULSVZCJFET-UHFFFAOYSA-N 3 0 332.492 1.614 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]CC[C@H]2CCc3ccccc3N2)C1 ZINC000650720957 452949670 /nfs/dbraw/zinc/94/96/70/452949670.db2.gz JPLYXKFWYWNWRE-DOTOQJQBSA-N 2 0 330.476 1.590 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCc2ccc(F)cc21 ZINC000650724742 452952502 /nfs/dbraw/zinc/95/25/02/452952502.db2.gz LOTUKYXHXYAANA-CABCVRRESA-N 2 0 333.451 1.985 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)CCC(=O)N3)C1 ZINC000656197424 452955182 /nfs/dbraw/zinc/95/51/82/452955182.db2.gz INQRJRRNTHTZQD-RBSFLKMASA-N 2 0 333.432 1.171 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977868 452964236 /nfs/dbraw/zinc/96/42/36/452964236.db2.gz MGFANRHYIPRTNT-AEFFLSMTSA-N 2 0 348.466 1.153 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000652813904 452971264 /nfs/dbraw/zinc/97/12/64/452971264.db2.gz NGUYTBAYRVDZMZ-RTBURBONSA-N 2 0 345.487 1.830 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccccc1 ZINC000662248567 452971743 /nfs/dbraw/zinc/97/17/43/452971743.db2.gz GCUTYSRXOIBVMY-QGZVFWFLSA-N 2 0 329.444 1.402 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664299245 452977323 /nfs/dbraw/zinc/97/73/23/452977323.db2.gz ZWBGIGHFPKETHZ-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCS[C@H](c3ccccc3)C2)C1 ZINC000666640984 453030488 /nfs/dbraw/zinc/03/04/88/453030488.db2.gz UHMMSYFQSQOEMZ-WBVHZDCISA-N 2 0 333.501 1.974 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)NC(C)C)C2)cc1 ZINC000662315828 453033508 /nfs/dbraw/zinc/03/35/08/453033508.db2.gz HJFVMILRCPKXJH-SJORKVTESA-N 2 0 333.476 1.974 20 0 EDADRP Cn1cncc1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326756 453046165 /nfs/dbraw/zinc/04/61/65/453046165.db2.gz BGKLDGQPFGPOJD-UHFFFAOYSA-N 2 0 328.464 1.990 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CCCCCC1 ZINC000662367725 453077743 /nfs/dbraw/zinc/07/77/43/453077743.db2.gz FTIIOZLBIOIWLQ-AWEZNQCLSA-N 2 0 333.480 1.871 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)([NH+](C)C)C1 ZINC000662401143 453109812 /nfs/dbraw/zinc/10/98/12/453109812.db2.gz NEKRTVHLVLQPCG-LBTNJELSSA-N 2 0 333.480 1.727 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000666753996 453118088 /nfs/dbraw/zinc/11/80/88/453118088.db2.gz DSTMFFDKGFBRBV-MRXNPFEDSA-N 2 0 340.512 1.205 20 0 EDADRP [NH3+][C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)c1ccccc1 ZINC000662414028 453123227 /nfs/dbraw/zinc/12/32/27/453123227.db2.gz TYDYAHXTJMZNLX-CABCVRRESA-N 2 0 328.420 1.023 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCC[C@H](S(C)(=O)=O)C3)C2)CC1 ZINC000646139636 453148882 /nfs/dbraw/zinc/14/88/82/453148882.db2.gz JCOQXBIARLBOKH-ZOBUZTSGSA-N 2 0 343.537 1.100 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)c1 ZINC000662444806 453151080 /nfs/dbraw/zinc/15/10/80/453151080.db2.gz CIGKCNWBKALNGE-UHFFFAOYSA-N 2 0 338.411 1.656 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CC2([NH3+])CCC2)CC1 ZINC000646180449 453193018 /nfs/dbraw/zinc/19/30/18/453193018.db2.gz LEZBEVGAEMEEOY-UHFFFAOYSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000662479752 453193273 /nfs/dbraw/zinc/19/32/73/453193273.db2.gz LZPUSAZRHSCLDP-CYBMUJFWSA-N 2 0 336.505 1.007 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662495462 453211354 /nfs/dbraw/zinc/21/13/54/453211354.db2.gz SWMTUWGBWXUDFA-UHFFFAOYSA-N 2 0 339.505 1.824 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662506498 453222505 /nfs/dbraw/zinc/22/25/05/453222505.db2.gz ARJIRHVPNKBUCK-UHFFFAOYSA-N 2 0 334.468 1.053 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653122988 453316179 /nfs/dbraw/zinc/31/61/79/453316179.db2.gz KOBRYYLUANWWJF-ZWKOTPCHSA-N 2 0 349.519 1.916 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000662589675 453317180 /nfs/dbraw/zinc/31/71/80/453317180.db2.gz CHDCXLPHIKKGBM-HOCLYGCPSA-N 2 0 333.480 1.658 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662669318 453383063 /nfs/dbraw/zinc/38/30/63/453383063.db2.gz WYFCKZVGNPBPRI-UONOGXRCSA-N 2 0 331.464 1.623 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C2([NH2+]C3CC3)CCC2)c1 ZINC000662675321 453392368 /nfs/dbraw/zinc/39/23/68/453392368.db2.gz LEOCEVVIVKPEGF-UHFFFAOYSA-N 2 0 331.460 1.918 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000662684859 453404709 /nfs/dbraw/zinc/40/47/09/453404709.db2.gz KKVVSCAMALNZDS-CQSZACIVSA-N 2 0 325.522 1.852 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662694866 453416754 /nfs/dbraw/zinc/41/67/54/453416754.db2.gz UTTAFGPCQJZENR-CQSZACIVSA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000662697603 453418887 /nfs/dbraw/zinc/41/88/87/453418887.db2.gz GMRDTAARNRRPGW-HOTGVXAUSA-N 2 0 337.489 1.440 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C3([NH3+])CC4(CCC4)C3)CC2)CC1 ZINC000662700581 453422425 /nfs/dbraw/zinc/42/24/25/453422425.db2.gz VWVQBBSZXBDSBV-UHFFFAOYSA-N 2 0 334.508 1.323 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+]1CCC(C)CC1 ZINC000662702003 453424356 /nfs/dbraw/zinc/42/43/56/453424356.db2.gz WBFVYUBNMXQSIG-CVEARBPZSA-N 2 0 348.495 1.443 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000667138253 453429925 /nfs/dbraw/zinc/42/99/25/453429925.db2.gz YFLJUIGHHWZKNE-MRXNPFEDSA-N 2 0 348.495 1.687 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662717924 453441497 /nfs/dbraw/zinc/44/14/97/453441497.db2.gz DVABZGUNBBZGMD-DDBAPUKQSA-N 2 0 331.460 1.520 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000653260013 453441753 /nfs/dbraw/zinc/44/17/53/453441753.db2.gz BHFVMAMTWRQBQU-FGTMMUONSA-N 2 0 329.444 1.791 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662719534 453443758 /nfs/dbraw/zinc/44/37/58/453443758.db2.gz FHLOKNYKCOSZCQ-UHFFFAOYSA-N 2 0 326.441 1.299 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2Cl)CC1)C1(O)C[NH2+]C1 ZINC000662723490 453449257 /nfs/dbraw/zinc/44/92/57/453449257.db2.gz YUXJZVRZBZPGAB-UHFFFAOYSA-N 2 0 337.851 1.003 20 0 EDADRP [NH3+]C1(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)CC2(CCC2)C1 ZINC000662733683 453459100 /nfs/dbraw/zinc/45/91/00/453459100.db2.gz VHRDSVVBOGPYGQ-UHFFFAOYSA-N 2 0 335.492 1.799 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662747824 453478545 /nfs/dbraw/zinc/47/85/45/453478545.db2.gz DQRRBIMGXSJFBB-UHFFFAOYSA-N 2 0 336.505 1.150 20 0 EDADRP O=C(N1CCN(c2cc[nH+]cc2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662754456 453489348 /nfs/dbraw/zinc/48/93/48/453489348.db2.gz OEPUWPTYIUKMJS-AWEZNQCLSA-N 2 0 328.338 1.272 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C1(CCO)CCCC1)c1ccccc1 ZINC000660682309 453509892 /nfs/dbraw/zinc/50/98/92/453509892.db2.gz KYWNGCNNZWWJIS-KRWDZBQOSA-N 2 0 333.476 1.690 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667325734 453557275 /nfs/dbraw/zinc/55/72/75/453557275.db2.gz DBMKMTKTJHMZJG-GBESFXJTSA-N 2 0 342.487 1.997 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000662834043 453560735 /nfs/dbraw/zinc/56/07/35/453560735.db2.gz XYXDFFLOMNHZMF-KZNAEPCWSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1(n2cccn2)CC[NH2+]CC1 ZINC000662836744 453561998 /nfs/dbraw/zinc/56/19/98/453561998.db2.gz DBPIFIYQSZGYEJ-HZPDHXFCSA-N 2 0 331.464 1.095 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667331235 453563480 /nfs/dbraw/zinc/56/34/80/453563480.db2.gz XBPZJNUAPWGQEL-SFHVURJKSA-N 2 0 339.443 1.489 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H](C)[NH3+] ZINC000662861123 453576035 /nfs/dbraw/zinc/57/60/35/453576035.db2.gz XOIFJJFNDDXRTI-QGTPRVQTSA-N 2 0 333.476 1.489 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000662867197 453579467 /nfs/dbraw/zinc/57/94/67/453579467.db2.gz RUQDEHKJFZYAGR-LSTDLKDCSA-N 2 0 329.444 1.257 20 0 EDADRP CN(C(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901324 453595794 /nfs/dbraw/zinc/59/57/94/453595794.db2.gz VLEBGZZXZYXHHG-LULLPPNCSA-N 2 0 348.535 1.534 20 0 EDADRP COCCc1ccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000665232424 453618086 /nfs/dbraw/zinc/61/80/86/453618086.db2.gz MQUFBTGPJQYAPG-WFFDWFOESA-N 2 0 334.460 1.488 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000660871081 453625329 /nfs/dbraw/zinc/62/53/29/453625329.db2.gz XGQRSRTXLQISRR-FRFSOERESA-N 2 0 336.480 1.164 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)C1 ZINC000665253970 453625769 /nfs/dbraw/zinc/62/57/69/453625769.db2.gz DTNZCURSFOBRJI-ZACQAIPSSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CCO1 ZINC000662972970 453630735 /nfs/dbraw/zinc/63/07/35/453630735.db2.gz NGCVDBZYMDILRD-ZWKOTPCHSA-N 2 0 331.460 1.270 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662973328 453631787 /nfs/dbraw/zinc/63/17/87/453631787.db2.gz ZBVYYVZDYSELOI-HNNXBMFYSA-N 2 0 331.464 1.338 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659099688 453632045 /nfs/dbraw/zinc/63/20/45/453632045.db2.gz CAGXKCFUCVWRRE-UHFFFAOYSA-N 2 0 344.459 1.417 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C1(CN2CCN(c3ccccc3)CC2)CC1 ZINC000665273096 453632672 /nfs/dbraw/zinc/63/26/72/453632672.db2.gz PWLMXVKBTBFXKG-GOSISDBHSA-N 2 0 346.519 1.685 20 0 EDADRP COc1cccc(C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C2CC2)c1 ZINC000665292075 453638341 /nfs/dbraw/zinc/63/83/41/453638341.db2.gz SBELFZRSWIGANU-INIZCTEOSA-N 2 0 328.416 1.760 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659280525 453697649 /nfs/dbraw/zinc/69/76/49/453697649.db2.gz IHMNINLTJYAFBD-ROUUACIJSA-N 2 0 333.476 1.719 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc4n3CCC4)cn2)CC1 ZINC000657301806 453760285 /nfs/dbraw/zinc/76/02/85/453760285.db2.gz HRBYWUAAPLRHPE-UHFFFAOYSA-N 2 0 326.448 1.266 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657309623 453763569 /nfs/dbraw/zinc/76/35/69/453763569.db2.gz HIVALMSRZUHUBU-GFCCVEGCSA-N 2 0 333.402 1.555 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1c2ccccc2C[C@@H]1O ZINC000665637918 453778005 /nfs/dbraw/zinc/77/80/05/453778005.db2.gz SRMLAMXFLUUFFP-WBAXXEDZSA-N 2 0 348.491 1.216 20 0 EDADRP c1ncc(N[C@H]2CC[NH+](C3CC3)C2)nc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000663425251 453795000 /nfs/dbraw/zinc/79/50/00/453795000.db2.gz NZSILNXOODLBEH-OKILXGFUSA-N 2 0 328.464 1.774 20 0 EDADRP COCC[NH+]1CCC(Nc2nc3c(cnn3C(C)(C)C)c(N)n2)CC1 ZINC000663431464 453796682 /nfs/dbraw/zinc/79/66/82/453796682.db2.gz IDYSCYHLVCHCFQ-UHFFFAOYSA-N 2 0 347.467 1.686 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccccc2N(C)C)CC1 ZINC000663503998 453811307 /nfs/dbraw/zinc/81/13/07/453811307.db2.gz PKFTVGJNTAAGMB-UHFFFAOYSA-N 2 0 332.492 1.833 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)cc(C)n2)CC1 ZINC000663504091 453811985 /nfs/dbraw/zinc/81/19/85/453811985.db2.gz SBNILBJSHFPSFS-UHFFFAOYSA-N 2 0 334.464 1.479 20 0 EDADRP Oc1cccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000663514556 453813899 /nfs/dbraw/zinc/81/38/99/453813899.db2.gz ZXNUIBZZQKZXHB-MRXNPFEDSA-N 2 0 341.459 1.905 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661409365 453814191 /nfs/dbraw/zinc/81/41/91/453814191.db2.gz VECULTKQMNRANB-CVEARBPZSA-N 2 0 338.496 1.412 20 0 EDADRP CC1(C)CN(C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382721659 486696459 /nfs/dbraw/zinc/69/64/59/486696459.db2.gz NKKFOVFKWHQCMF-UHFFFAOYSA-N 2 0 330.476 1.015 20 0 EDADRP CC1(OCC(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)C[NH2+]C1 ZINC000382742890 486695658 /nfs/dbraw/zinc/69/56/58/486695658.db2.gz OWQQRKPELGDGHL-UHFFFAOYSA-N 2 0 331.460 1.488 20 0 EDADRP Brc1ccc(C[NH2+]CCN2CC[NH2+]CC2)c2ncccc12 ZINC000414859613 486732777 /nfs/dbraw/zinc/73/27/77/486732777.db2.gz BEYCZTSSHKSUEO-UHFFFAOYSA-N 2 0 349.276 1.992 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC2CC[NH+](C3CC3)CC2)cn1 ZINC000683553327 486754670 /nfs/dbraw/zinc/75/46/70/486754670.db2.gz GXENRYHWSAJKLN-UHFFFAOYSA-N 2 0 334.468 1.441 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000680521112 486799487 /nfs/dbraw/zinc/79/94/87/486799487.db2.gz YEBJSYCWBWOQBS-UHFFFAOYSA-N 2 0 349.479 1.272 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417948714 486816653 /nfs/dbraw/zinc/81/66/53/486816653.db2.gz JEHAKXBMEFJWFJ-HUUCEWRRSA-N 2 0 335.452 1.091 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667753977 486950738 /nfs/dbraw/zinc/95/07/38/486950738.db2.gz JVHVJWNXAVLDFY-UHFFFAOYSA-N 2 0 332.448 1.565 20 0 EDADRP COc1cc(CNC(=O)C2([NH+](C)C)CC2)ccc1OCC[NH+](C)C ZINC000667806708 486974417 /nfs/dbraw/zinc/97/44/17/486974417.db2.gz QNZADQQYOPUFGL-UHFFFAOYSA-N 2 0 335.448 1.346 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@@H+]([C@@H]3CC(=O)N(c4ccccc4)C3=O)C2)CC1 ZINC000677296889 487035944 /nfs/dbraw/zinc/03/59/44/487035944.db2.gz VJAHMHNFEQXFTK-FUHWJXTLSA-N 2 0 341.455 1.982 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1nnn(C(C)(C)C)n1 ZINC000668160249 487125045 /nfs/dbraw/zinc/12/50/45/487125045.db2.gz XAZATBOICNDCDT-HNNXBMFYSA-N 2 0 337.516 1.276 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000678033946 487230788 /nfs/dbraw/zinc/23/07/88/487230788.db2.gz GZKJORKLHRTWKO-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000674318936 487235793 /nfs/dbraw/zinc/23/57/93/487235793.db2.gz KINUKEVVPPMHFJ-CQSZACIVSA-N 2 0 334.468 1.674 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2cnc(N3CCC[C@H]([NH+](C)C)C3)cn2)C1 ZINC000685271779 487250564 /nfs/dbraw/zinc/25/05/64/487250564.db2.gz ZBLHIBYZHSEPRD-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000678261874 487277738 /nfs/dbraw/zinc/27/77/38/487277738.db2.gz ZZIOPKIYPWEZIM-UHFFFAOYSA-N 2 0 329.448 1.810 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000675177532 487385486 /nfs/dbraw/zinc/38/54/86/487385486.db2.gz UHODRHOKXLQCIR-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000675192709 487387025 /nfs/dbraw/zinc/38/70/25/487387025.db2.gz LZBQIQNHSFUHKP-HOCLYGCPSA-N 2 0 328.526 1.597 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000675194063 487387699 /nfs/dbraw/zinc/38/76/99/487387699.db2.gz JLWLLVDCMRMPAW-IXDOHACOSA-N 2 0 338.496 1.101 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000675194062 487387706 /nfs/dbraw/zinc/38/77/06/487387706.db2.gz JLWLLVDCMRMPAW-IKGGRYGDSA-N 2 0 338.496 1.101 20 0 EDADRP CC(C)c1cnc(CN(C)[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000675233565 487391767 /nfs/dbraw/zinc/39/17/67/487391767.db2.gz WUDXNMLTVZPZIW-HUUCEWRRSA-N 2 0 334.464 1.925 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccc(O)cc1 ZINC000679398056 487421740 /nfs/dbraw/zinc/42/17/40/487421740.db2.gz FPMSWLVIDLOVPZ-IBGZPJMESA-N 2 0 341.455 1.771 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000679825162 487466589 /nfs/dbraw/zinc/46/65/89/487466589.db2.gz DVXAEPZCCAGMNH-ZWKOTPCHSA-N 2 0 331.460 1.354 20 0 EDADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000676045476 487468306 /nfs/dbraw/zinc/46/83/06/487468306.db2.gz IVFIQZLPLDRNQQ-USXIJHARSA-N 2 0 333.480 1.282 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000669512682 485477068 /nfs/dbraw/zinc/47/70/68/485477068.db2.gz DSOBTLQNTGCAIC-GUYCJALGSA-N 2 0 330.432 1.178 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669519814 485485106 /nfs/dbraw/zinc/48/51/06/485485106.db2.gz STMUXOIQMHHPLF-WDSOQIARSA-N 2 0 327.472 1.939 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000669530283 485504881 /nfs/dbraw/zinc/50/48/81/485504881.db2.gz ZDSDOFIIMLAWGT-ZACQAIPSSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000669121654 485703033 /nfs/dbraw/zinc/70/30/33/485703033.db2.gz RQROPPIJKVBBGO-RRFJBIMHSA-N 2 0 334.464 1.442 20 0 EDADRP C[C@@H](NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)(C)C[NH+](C)C ZINC000669145286 485733936 /nfs/dbraw/zinc/73/39/36/485733936.db2.gz JPLBPSFSUOFWFJ-KGLIPLIRSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@H](NC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000669146743 485736160 /nfs/dbraw/zinc/73/61/60/485736160.db2.gz ZCDJDUNZYYUESW-KBPBESRZSA-N 2 0 340.512 1.068 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)cc1 ZINC000668592553 485928878 /nfs/dbraw/zinc/92/88/78/485928878.db2.gz AMFFCYGUTMBUFI-SFHVURJKSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@H](CN1CCOCC1)NC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669323330 485968725 /nfs/dbraw/zinc/96/87/25/485968725.db2.gz RHNJYKASPAHSKW-ZACQAIPSSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669389546 486025638 /nfs/dbraw/zinc/02/56/38/486025638.db2.gz RXGRDJFRTKRECS-RYQLBKOJSA-N 2 0 346.475 1.409 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000669426288 486147464 /nfs/dbraw/zinc/14/74/64/486147464.db2.gz BVODVJVPGLIILS-SJORKVTESA-N 2 0 346.475 1.378 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000669426363 486148505 /nfs/dbraw/zinc/14/85/05/486148505.db2.gz ZRKWNDLPLWHKIE-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP [NH3+][C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1cccc(Cl)c1 ZINC000669510153 486294106 /nfs/dbraw/zinc/29/41/06/486294106.db2.gz UWMJATXBSTUKKY-MRXNPFEDSA-N 2 0 345.834 1.783 20 0 EDADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668932428 486358856 /nfs/dbraw/zinc/35/88/56/486358856.db2.gz HHXSPAICGWGBCT-CVEARBPZSA-N 2 0 348.495 1.318 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000169287477 486592940 /nfs/dbraw/zinc/59/29/40/486592940.db2.gz JMOGNSCIUDAKAE-UHFFFAOYSA-N 2 0 346.475 1.349 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000305723496 491245164 /nfs/dbraw/zinc/24/51/64/491245164.db2.gz KSOVWLYOMIPCEJ-LMMKCTJWSA-N 2 0 341.540 1.510 20 0 EDADRP CO[C@@H]1CC[C@@H]2OCCN(C[C@H](O)C[N@H+](C)Cc3ccccc3)[C@H]2C1 ZINC000305359993 491011118 /nfs/dbraw/zinc/01/11/18/491011118.db2.gz SXTCKXOSERKVJP-ZRNYENFQSA-N 2 0 348.487 1.748 20 0 EDADRP C[C@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000162653481 533826026 /nfs/dbraw/zinc/82/60/26/533826026.db2.gz SSJGBSNNNBKIAG-LPHOPBHVSA-N 2 0 345.487 1.913 20 0 EDADRP COC[C@@]1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CCC[NH2+]1 ZINC000416812526 518085741 /nfs/dbraw/zinc/08/57/41/518085741.db2.gz DIFYQKIEBDPYPE-INIZCTEOSA-N 2 0 326.485 1.319 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C(C)C ZINC000153450068 528905915 /nfs/dbraw/zinc/90/59/15/528905915.db2.gz GFSXGWUEDLZCHW-KRWDZBQOSA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000236781743 535117438 /nfs/dbraw/zinc/11/74/38/535117438.db2.gz XQMNZRJQCWRYCA-BRWVUGGUSA-N 2 0 325.497 1.485 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000125500688 535515003 /nfs/dbraw/zinc/51/50/03/535515003.db2.gz QLPSCUIFSFQKHV-QGZVFWFLSA-N 2 0 341.544 1.290 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262671718 535548322 /nfs/dbraw/zinc/54/83/22/535548322.db2.gz ORNYUMAKLBTWAP-MHORFTMASA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000262539924 535554424 /nfs/dbraw/zinc/55/44/24/535554424.db2.gz NCEOBAQFHYZRNS-INIZCTEOSA-N 2 0 335.448 1.724 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1ccsc1 ZINC000262421168 535653824 /nfs/dbraw/zinc/65/38/24/535653824.db2.gz RSVTYDXPMMBGFD-GJZGRUSLSA-N 2 0 325.478 1.626 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000263366852 535712740 /nfs/dbraw/zinc/71/27/40/535712740.db2.gz WJHKJYDGVLWZJJ-SJLPKXTDSA-N 2 0 332.492 1.466 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000340459875 535778088 /nfs/dbraw/zinc/77/80/88/535778088.db2.gz GCOAPOKZQUHLCN-KRWDZBQOSA-N 2 0 343.479 1.254 20 0 EDADRP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340210534 535831644 /nfs/dbraw/zinc/83/16/44/535831644.db2.gz SOVLCIWAKXLTRV-MRXNPFEDSA-N 2 0 325.478 1.643 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NCCNc1cc[nH+]cc1 ZINC000346616339 535930254 /nfs/dbraw/zinc/93/02/54/535930254.db2.gz FLSMXUDFSYRRLU-UHFFFAOYSA-N 2 0 327.432 1.841 20 0 EDADRP CC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCOC1 ZINC000347281638 535945148 /nfs/dbraw/zinc/94/51/48/535945148.db2.gz YLCAKNOIUPENPJ-GBESFXJTSA-N 2 0 347.503 1.680 20 0 EDADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550825 536003143 /nfs/dbraw/zinc/00/31/43/536003143.db2.gz PSUASASBGXYJNB-IAGOWNOFSA-N 2 0 333.501 1.814 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237079189 536358867 /nfs/dbraw/zinc/35/88/67/536358867.db2.gz PVCHMVBJMJAPDC-ROUUACIJSA-N 2 0 330.476 1.315 20 0 EDADRP COCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]CC1 ZINC000262293581 536814582 /nfs/dbraw/zinc/81/45/82/536814582.db2.gz WJGDZXVPCRCWAL-SFHVURJKSA-N 2 0 345.487 1.956 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000261655746 536814979 /nfs/dbraw/zinc/81/49/79/536814979.db2.gz KCNOHYLMOAXKEM-IEBWSBKVSA-N 2 0 331.460 1.566 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NC(C)(C)CC[NH+]2CCCCCC2)[N@H+](C)C1 ZINC000347665821 546516244 /nfs/dbraw/zinc/51/62/44/546516244.db2.gz BFLYJVLZELVXLU-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC1CN(C(=O)OC(C)(C)C)C1 ZINC000788019679 578548668 /nfs/dbraw/zinc/54/86/68/578548668.db2.gz BLLCLGHBSDPAOL-UHFFFAOYSA-N 2 0 340.512 1.423 20 0 EDADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1O[C@H](C)C2 ZINC000728611554 578549483 /nfs/dbraw/zinc/54/94/83/578549483.db2.gz NZMMXYYELROALE-CQSZACIVSA-N 2 0 349.475 1.584 20 0 EDADRP C[C@H](COc1ccccc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741079655 578645092 /nfs/dbraw/zinc/64/50/92/578645092.db2.gz MUWCCJGBWAPHQN-MRXNPFEDSA-N 2 0 336.480 1.589 20 0 EDADRP C[C@@H](CNC(=S)NCC1CC[NH+](C)CC1)C[NH+]1CCCCC1 ZINC000760477444 580031670 /nfs/dbraw/zinc/03/16/70/580031670.db2.gz HOWGYFJDVWIDKB-HNNXBMFYSA-N 2 0 326.554 1.914 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCCCC1 ZINC000733848337 578785789 /nfs/dbraw/zinc/78/57/89/578785789.db2.gz NBLWIHOBAXZQBP-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000749827567 579741210 /nfs/dbraw/zinc/74/12/10/579741210.db2.gz HNIJAKVNBLBMOP-OAHLLOKOSA-N 2 0 342.553 1.103 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000763735834 580105432 /nfs/dbraw/zinc/10/54/32/580105432.db2.gz HQPCWMJGKBPDDN-KRWDZBQOSA-N 2 0 335.492 1.573 20 0 EDADRP Nc1nc(-n2cccn2)cc(NC2CC[NH+](C[C@@H]3CCCO3)CC2)[nH+]1 ZINC000771651646 580291430 /nfs/dbraw/zinc/29/14/30/580291430.db2.gz ABEORIJUOQMBOI-AWEZNQCLSA-N 2 0 343.435 1.300 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775371790 580389438 /nfs/dbraw/zinc/38/94/38/580389438.db2.gz SWJRVXZMXUYSLD-OAGGEKHMSA-N 2 0 329.579 1.982 20 0 EDADRP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC(C)(C)O ZINC000781859927 580558791 /nfs/dbraw/zinc/55/87/91/580558791.db2.gz MAKYGMPXRDOFNR-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP COC(=O)[C@@]1(NCC[NH+]2CCCC2)CCCN(Cc2ccccc2)C1 ZINC000782495184 580576201 /nfs/dbraw/zinc/57/62/01/580576201.db2.gz WSNIOHXKJHKDBL-HXUWFJFHSA-N 2 0 345.487 1.880 20 0 EDADRP CN1C[C@H]2CC[NH+](CCCCCC[N@H+]3CC[C@H]4CN(C)C[C@H]43)[C@H]2C1 ZINC000794948620 580908641 /nfs/dbraw/zinc/90/86/41/580908641.db2.gz KURWUJDQNDUBQR-JVSBHGNQSA-N 2 0 334.552 1.819 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](C[C@@H](O)COC[C@@H]3CCCO3)C2)CC1 ZINC000799178072 581021445 /nfs/dbraw/zinc/02/14/45/581021445.db2.gz FUDVBERJGRDSAI-SJORKVTESA-N 2 0 326.481 1.351 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)Cc2ccccc2C1 ZINC000893191989 590703811 /nfs/dbraw/zinc/70/38/11/590703811.db2.gz ROEGGJZMSWUXQH-QZTJIDSGSA-N 2 0 342.487 1.431 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000891998451 590736265 /nfs/dbraw/zinc/73/62/65/590736265.db2.gz FVOWTLNMDOZNCW-PBHICJAKSA-N 2 0 332.448 1.351 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000892043985 590768984 /nfs/dbraw/zinc/76/89/84/590768984.db2.gz FGAIVLGILILPOV-RISCZKNCSA-N 2 0 326.391 1.750 20 0 EDADRP COCCC1(NC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000892043793 590769190 /nfs/dbraw/zinc/76/91/90/590769190.db2.gz WVXQBHKPWIBCBN-AWEZNQCLSA-N 2 0 334.464 1.664 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)CCC2 ZINC000892131425 590814142 /nfs/dbraw/zinc/81/41/42/590814142.db2.gz ZTJWUULDXHXIPF-UHFFFAOYSA-N 2 0 332.492 1.986 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(Cc2ccc3c(c2)CCCO3)CC1 ZINC000892176161 590845621 /nfs/dbraw/zinc/84/56/21/590845621.db2.gz RPLMBWCFILQQAE-SFHVURJKSA-N 2 0 343.471 1.750 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000892184434 590852697 /nfs/dbraw/zinc/85/26/97/590852697.db2.gz RVWOUPPMYGPUBW-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCCCCC[NH3+])c1 ZINC000892211070 590865376 /nfs/dbraw/zinc/86/53/76/590865376.db2.gz JQXSDVSFJIKMPK-QGZVFWFLSA-N 2 0 334.464 1.870 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000893432238 590866905 /nfs/dbraw/zinc/86/69/05/590866905.db2.gz VBARNKMBAQKXFG-HNNXBMFYSA-N 2 0 336.455 1.899 20 0 EDADRP Nc1cc[nH+]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)c1 ZINC000892256984 590890255 /nfs/dbraw/zinc/89/02/55/590890255.db2.gz GXRZQXKBUIKLEO-IAGOWNOFSA-N 2 0 343.406 1.748 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892301960 590926866 /nfs/dbraw/zinc/92/68/66/590926866.db2.gz KXWUFZXYTVPICU-GDAAHCPNSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306823 590928426 /nfs/dbraw/zinc/92/84/26/590928426.db2.gz HJHSLQRQEPSGEX-CWLKWCNXSA-N 2 0 330.476 1.804 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321995 590943828 /nfs/dbraw/zinc/94/38/28/590943828.db2.gz GXVZHMWCOKXVDO-BPQIPLTHSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NCc1cccc2c1CC[NH2+]C2 ZINC000892346416 590975550 /nfs/dbraw/zinc/97/55/50/590975550.db2.gz QSGVVCMXNSEIQW-UHFFFAOYSA-N 2 0 325.416 1.061 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000892397820 591010374 /nfs/dbraw/zinc/01/03/74/591010374.db2.gz TZBCDJNVEGXUMR-HXUWFJFHSA-N 3 0 330.520 1.907 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000892399963 591011843 /nfs/dbraw/zinc/01/18/43/591011843.db2.gz MDPUTFROMYFUOH-ROUUACIJSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000892413428 591017815 /nfs/dbraw/zinc/01/78/15/591017815.db2.gz YJKXLOIYPWDMLS-MHORFTMASA-N 2 0 330.476 1.715 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000891340341 591050231 /nfs/dbraw/zinc/05/02/31/591050231.db2.gz QEKLSBCMQOUTNS-RDJZCZTQSA-N 2 0 330.476 1.825 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000891340339 591050612 /nfs/dbraw/zinc/05/06/12/591050612.db2.gz QEKLSBCMQOUTNS-DOTOQJQBSA-N 2 0 330.476 1.825 20 0 EDADRP CC[C@H](CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000891349118 591054625 /nfs/dbraw/zinc/05/46/25/591054625.db2.gz VNWDGUMFRXNFPD-CEXWTWQISA-N 2 0 342.487 1.969 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000891461405 591079213 /nfs/dbraw/zinc/07/92/13/591079213.db2.gz MAYLYCGMKRTWHD-KKUMJFAQSA-N 2 0 336.505 1.997 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891507314 591100066 /nfs/dbraw/zinc/10/00/66/591100066.db2.gz PQMFLPMEUZURNM-CQSZACIVSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000891576077 591132272 /nfs/dbraw/zinc/13/22/72/591132272.db2.gz QIHHAOJCEPSHPY-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@H]1CCS(=O)(=O)C1 ZINC000892735761 591153957 /nfs/dbraw/zinc/15/39/57/591153957.db2.gz PDPWOQNUPCWRQC-ZBFHGGJFSA-N 2 0 340.489 1.540 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000891623147 591154732 /nfs/dbraw/zinc/15/47/32/591154732.db2.gz MFVCEHYCNQCEIN-SJORKVTESA-N 2 0 338.496 1.103 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21)Cc1ccccc1 ZINC000891626678 591156325 /nfs/dbraw/zinc/15/63/25/591156325.db2.gz MTOXFGAYPXPKGD-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892759300 591164705 /nfs/dbraw/zinc/16/47/05/591164705.db2.gz NOPFJGGMHWYDAE-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)Cc1ccc(F)cc1 ZINC000891647236 591164728 /nfs/dbraw/zinc/16/47/28/591164728.db2.gz SJRILCKMOLCMJT-SJORKVTESA-N 2 0 334.439 1.793 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCc3sc(C[NH3+])nc3C2)C[N@@H+]1C1CC1 ZINC000891662516 591173983 /nfs/dbraw/zinc/17/39/83/591173983.db2.gz YRAFQRWTDGSBNO-GHMZBOCLSA-N 2 0 335.477 1.295 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccn1 ZINC000891727077 591200751 /nfs/dbraw/zinc/20/07/51/591200751.db2.gz NVVSZICNXDUVNG-HZPDHXFCSA-N 2 0 347.463 1.058 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC23CC[NH+](C)CC3)C[C@H](C)O1 ZINC000891727284 591200813 /nfs/dbraw/zinc/20/08/13/591200813.db2.gz GNYXXTJCSSGTQT-IYBDPMFKSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H]3C[C@@]3(C)Br)CC2)CC1 ZINC000895846340 591286702 /nfs/dbraw/zinc/28/67/02/591286702.db2.gz VZHGBLFOFYDOBT-UKRRQHHQSA-N 2 0 330.314 1.872 20 0 EDADRP COC(=O)[C@H]1[C@@H](CNc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(F)F ZINC000894366000 591291073 /nfs/dbraw/zinc/29/10/73/591291073.db2.gz IXBMLAFCTHIECD-BXUZGUMPSA-N 2 0 340.374 1.300 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000896221716 591386845 /nfs/dbraw/zinc/38/68/45/591386845.db2.gz VDOVJBBPTFWYAZ-BHIYHBOVSA-N 2 0 344.503 1.432 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000898588316 591418161 /nfs/dbraw/zinc/41/81/61/591418161.db2.gz FPLSKCYQVWMSDS-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](C2CCOCC2)CC1 ZINC000898634658 591449365 /nfs/dbraw/zinc/44/93/65/591449365.db2.gz GLJBXJDJXQZJTH-CQSZACIVSA-N 2 0 325.497 1.913 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nnc(Cc3ccccc3)o2)C[C@H]1C[NH+](C)C ZINC000894871087 591452315 /nfs/dbraw/zinc/45/23/15/591452315.db2.gz MAUNPCMIWKZHHT-IAGOWNOFSA-N 2 0 343.475 1.836 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@H]2COCO2)CC1 ZINC000894880500 591454414 /nfs/dbraw/zinc/45/44/14/591454414.db2.gz CXALTBFQOGRCGH-CYBMUJFWSA-N 2 0 325.840 1.554 20 0 EDADRP CSC1(CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC[NH+](C)CC1 ZINC000894951309 591496806 /nfs/dbraw/zinc/49/68/06/591496806.db2.gz LRYAMFSOCBTAKJ-CQSZACIVSA-N 2 0 328.526 1.597 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897548146 591546961 /nfs/dbraw/zinc/54/69/61/591546961.db2.gz AQGLHSNZWJQCIX-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000896608671 591551437 /nfs/dbraw/zinc/55/14/37/591551437.db2.gz HZLJPDLLDWRGFE-LSDHHAIUSA-N 2 0 338.521 1.446 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000897698126 591621990 /nfs/dbraw/zinc/62/19/90/591621990.db2.gz NJRFOVZDGIKDHS-SJLPKXTDSA-N 2 0 347.459 1.135 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898988478 591627574 /nfs/dbraw/zinc/62/75/74/591627574.db2.gz XQRPBTYAHZOQRO-MSOLQXFVSA-N 2 0 329.444 1.098 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000897782212 591666370 /nfs/dbraw/zinc/66/63/70/591666370.db2.gz PUQZWQVQWQJKGV-RTBURBONSA-N 2 0 346.519 1.679 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897961447 591736684 /nfs/dbraw/zinc/73/66/84/591736684.db2.gz AFKUOFDDTJADNR-INIZCTEOSA-N 2 0 337.489 1.359 20 0 EDADRP C[C@@H]([NH2+]CCCc1nnnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000898037948 591764566 /nfs/dbraw/zinc/76/45/66/591764566.db2.gz AGBSPNXPSMWYPY-NVXWUHKLSA-N 2 0 328.464 1.643 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961405 591840127 /nfs/dbraw/zinc/84/01/27/591840127.db2.gz OSLAAXXVGWOTSP-YJBOKZPZSA-N 2 0 335.448 1.380 20 0 EDADRP Cc1cn2c(n1)C[C@H](C(=O)N1CCN(c3cc[nH+]cc3)C[C@@H]1C)CC2 ZINC000899808606 591945995 /nfs/dbraw/zinc/94/59/95/591945995.db2.gz AETQNUREVZXXER-JKSUJKDBSA-N 2 0 339.443 1.886 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]23C[C@H]2COC32CCC2)CC[NH2+]CC1 ZINC000902461283 591999850 /nfs/dbraw/zinc/99/98/50/591999850.db2.gz NPLRXQQHLZGRAY-RLFYNMQTSA-N 2 0 336.476 1.857 20 0 EDADRP CN(c1cccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1)S(C)(=O)=O ZINC000902515034 592008764 /nfs/dbraw/zinc/00/87/64/592008764.db2.gz STAGDHXIDNHITE-HNNXBMFYSA-N 2 0 339.505 1.950 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000900410246 592010977 /nfs/dbraw/zinc/01/09/77/592010977.db2.gz RULKTKDKFBGDLZ-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000900427433 592015776 /nfs/dbraw/zinc/01/57/76/592015776.db2.gz ZQNSUEQLTOMZHC-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000900440092 592019191 /nfs/dbraw/zinc/01/91/91/592019191.db2.gz HQXVIDBZBAEFJF-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nnc(C2CC2)o1 ZINC000900480119 592030227 /nfs/dbraw/zinc/03/02/27/592030227.db2.gz BZPUEQCTJXRNGO-AWEZNQCLSA-N 2 0 335.452 1.435 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900601533 592065691 /nfs/dbraw/zinc/06/56/91/592065691.db2.gz XYNCCHJGVHLPMA-GMNCBBECSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000900659906 592083866 /nfs/dbraw/zinc/08/38/66/592083866.db2.gz PUCYSVHZDLQLAZ-UHFFFAOYSA-N 2 0 335.496 1.831 20 0 EDADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(C)CCCC[NH+](C)C)C1 ZINC000900769425 592119079 /nfs/dbraw/zinc/11/90/79/592119079.db2.gz MEVNCTQFJZYUKL-HNNXBMFYSA-N 2 0 327.469 1.062 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cn2)CC1 ZINC000903073665 592119619 /nfs/dbraw/zinc/11/96/19/592119619.db2.gz PLULVHQVPYFSCK-MJGOQNOKSA-N 2 0 346.475 1.261 20 0 EDADRP COC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117572 592123411 /nfs/dbraw/zinc/12/34/11/592123411.db2.gz VCASXRBFYADKIO-KONPQCLYSA-N 2 0 339.480 1.287 20 0 EDADRP CCC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)CC1 ZINC000903118986 592123508 /nfs/dbraw/zinc/12/35/08/592123508.db2.gz POFDNXZOLXIYBC-RWQQGDIJSA-N 2 0 337.508 1.457 20 0 EDADRP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900801533 592143341 /nfs/dbraw/zinc/14/33/41/592143341.db2.gz BLYKBNVFEOTNKS-PBHICJAKSA-N 2 0 343.475 1.655 20 0 EDADRP CO[C@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCS(=O)(=O)C1 ZINC000903362820 592158853 /nfs/dbraw/zinc/15/88/53/592158853.db2.gz KCGZDUXPXNJHHX-JCYILVPMSA-N 2 0 344.521 1.577 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900896348 592160292 /nfs/dbraw/zinc/16/02/92/592160292.db2.gz GKIMUFYVFRKNHO-IMFGXOCKSA-N 2 0 345.487 1.565 20 0 EDADRP O=C1NCC2(CC[NH+](CC3CC[NH2+]CC3)CC2)Oc2ccccc21 ZINC000903415028 592165298 /nfs/dbraw/zinc/16/52/98/592165298.db2.gz GZGCTUBYHLBOEK-UHFFFAOYSA-N 2 0 329.444 1.643 20 0 EDADRP COCCOc1ccccc1N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903457724 592171113 /nfs/dbraw/zinc/17/11/13/592171113.db2.gz ZNVBJIQBPMFMTQ-SJORKVTESA-N 2 0 333.476 1.961 20 0 EDADRP C(c1nc2c(o1)CCCC2)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903505457 592181933 /nfs/dbraw/zinc/18/19/33/592181933.db2.gz CABGDLGBLAMWFO-IYBDPMFKSA-N 2 0 330.476 1.954 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(C(F)(F)F)cn1)C2 ZINC000903492926 592185842 /nfs/dbraw/zinc/18/58/42/592185842.db2.gz LRKHUNKJSSITKY-ZOWXZIJZSA-N 2 0 343.349 1.813 20 0 EDADRP CC[C@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562620 592210647 /nfs/dbraw/zinc/21/06/47/592210647.db2.gz QUJZJMJFRLHTHQ-CWRNSKLLSA-N 2 0 329.510 1.263 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906657398 592239010 /nfs/dbraw/zinc/23/90/10/592239010.db2.gz YHLXVMFDEODKBD-AWEZNQCLSA-N 2 0 332.448 1.274 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000901119439 592239432 /nfs/dbraw/zinc/23/94/32/592239432.db2.gz QQOSBSLOUWFSPU-MANSERQUSA-N 2 0 349.519 1.887 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1C ZINC000904388385 592241866 /nfs/dbraw/zinc/24/18/66/592241866.db2.gz IGXKAWJIEXFFAX-KHYOSLBOSA-N 2 0 346.427 1.494 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000904366628 592242324 /nfs/dbraw/zinc/24/23/24/592242324.db2.gz NIADENQIIPHOAS-MQSRZLSVSA-N 2 0 331.460 1.763 20 0 EDADRP Cc1cc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)n(C2CC[NH+](C)CC2)n1 ZINC000904366085 592242419 /nfs/dbraw/zinc/24/24/19/592242419.db2.gz DYRMGZIFEBASAQ-SFHVURJKSA-N 2 0 346.479 1.818 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cnc(N3CCCC3)nc1)CC2 ZINC000904389074 592242492 /nfs/dbraw/zinc/24/24/92/592242492.db2.gz GQBRZDZNQUOJEE-INIZCTEOSA-N 2 0 331.464 1.407 20 0 EDADRP C[C@@H]1CN(C[C@H]([NH3+])CCC(C)(C)C)C[C@H]1C(=O)N1CCOCC1 ZINC000904377193 592245310 /nfs/dbraw/zinc/24/53/10/592245310.db2.gz KSIXOLVNRVYCME-BZUAXINKSA-N 2 0 325.497 1.567 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000906668682 592250080 /nfs/dbraw/zinc/25/00/80/592250080.db2.gz OQFZZQCXLDGCPI-UHFFFAOYSA-N 2 0 346.475 1.810 20 0 EDADRP Cc1nn(Cc2ccc(C)cc2)c(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398803 592252965 /nfs/dbraw/zinc/25/29/65/592252965.db2.gz TWCXTKUAQXRYRW-UHFFFAOYSA-N 2 0 341.503 1.851 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906659091 592269109 /nfs/dbraw/zinc/26/91/09/592269109.db2.gz YTQHWKPXXKDDSN-UHFFFAOYSA-N 2 0 346.475 1.667 20 0 EDADRP O=C(C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000903718320 592280727 /nfs/dbraw/zinc/28/07/27/592280727.db2.gz KQEHBHBPZIRQNU-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725617 592284667 /nfs/dbraw/zinc/28/46/67/592284667.db2.gz DSGMWGOMUNUUJP-RBUKOAKNSA-N 2 0 348.487 1.655 20 0 EDADRP COc1cc2c(cc1OC)CC[NH+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903727873 592286159 /nfs/dbraw/zinc/28/61/59/592286159.db2.gz YOPZTBKLCQBNOI-FXAWDEMLSA-N 2 0 346.471 1.873 20 0 EDADRP NC(=O)C1(c2ccccc2)CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903729468 592287222 /nfs/dbraw/zinc/28/72/22/592287222.db2.gz NEXYVZKMGWHWTM-IEBWSBKVSA-N 2 0 343.471 1.274 20 0 EDADRP COc1ccccc1N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903733119 592287967 /nfs/dbraw/zinc/28/79/67/592287967.db2.gz JXVXRDXLCZFCOP-LPHOPBHVSA-N 2 0 331.460 1.586 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000904607897 592295489 /nfs/dbraw/zinc/29/54/89/592295489.db2.gz VRLUFHGERRXYTL-IAGOWNOFSA-N 2 0 346.475 1.943 20 0 EDADRP Cn1cc(CN2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)cn1 ZINC000903753360 592296860 /nfs/dbraw/zinc/29/68/60/592296860.db2.gz UIQKSEHVMZBDJT-SFHVURJKSA-N 2 0 347.507 1.087 20 0 EDADRP c1ccc(CC[NH+]2CCN(C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734049 592298193 /nfs/dbraw/zinc/29/81/93/592298193.db2.gz UDCPVGDNHOHVHQ-VQTJNVASSA-N 2 0 329.488 1.615 20 0 EDADRP [NH3+]Cc1ccc2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)cn2c1 ZINC000904636214 592299336 /nfs/dbraw/zinc/29/93/36/592299336.db2.gz BAYCNGHRODSXRO-OCCSQVGLSA-N 2 0 340.387 1.379 20 0 EDADRP C[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCCN(c2cccnn2)C1 ZINC000903738982 592300055 /nfs/dbraw/zinc/30/00/55/592300055.db2.gz AJESJVRYDIMHGL-XYJFISCASA-N 2 0 331.464 1.146 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903740013 592301673 /nfs/dbraw/zinc/30/16/73/592301673.db2.gz RQKVMZAPTIHLFB-HOJAQTOUSA-N 2 0 329.488 1.961 20 0 EDADRP CC(C)OCCN1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903740218 592302727 /nfs/dbraw/zinc/30/27/27/592302727.db2.gz UAMSCFQDPNWNOD-KRWDZBQOSA-N 2 0 325.497 1.188 20 0 EDADRP [NH3+]C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000906738745 592303910 /nfs/dbraw/zinc/30/39/10/592303910.db2.gz IOVBEEUBXJUSFI-JCNLHEQBSA-N 2 0 344.459 1.117 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C[C@@H]([NH3+])C(C)(C)C)n3)c2)CC1 ZINC000904672648 592309153 /nfs/dbraw/zinc/30/91/53/592309153.db2.gz PKILHJMETGJFOM-OAHLLOKOSA-N 2 0 344.463 1.799 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766651 592310071 /nfs/dbraw/zinc/31/00/71/592310071.db2.gz BNZRZXODXDIBQC-BDXSIMOUSA-N 3 0 337.508 1.506 20 0 EDADRP O=S1(=O)Cc2ccccc2[C@H]([NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903769280 592310661 /nfs/dbraw/zinc/31/06/61/592310661.db2.gz BLMIOJYZCJPXMW-OIISXLGYSA-N 2 0 336.457 1.014 20 0 EDADRP C[C@]1(C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)COC(=O)N1 ZINC000903787178 592323020 /nfs/dbraw/zinc/32/30/20/592323020.db2.gz VEHVNNJXNNNLKF-DOTOQJQBSA-N 2 0 337.464 1.356 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](Cc2ccccc2)C[C@H](C)O)cnn1C ZINC000903884639 592362720 /nfs/dbraw/zinc/36/27/20/592362720.db2.gz FMFOIYMHPDPCTD-YJBOKZPZSA-N 2 0 330.476 1.729 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](Oc3ccccn3)C2)cnn1C ZINC000903897675 592367265 /nfs/dbraw/zinc/36/72/65/592367265.db2.gz IHSVBUIROZDSLM-NVXWUHKLSA-N 2 0 329.448 1.394 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000903897970 592369882 /nfs/dbraw/zinc/36/98/82/592369882.db2.gz KTRZHEMBVDOYJI-KRWDZBQOSA-N 2 0 333.480 1.841 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C[C@@H]([NH3+])CC(F)F)CC1 ZINC000903904537 592372742 /nfs/dbraw/zinc/37/27/42/592372742.db2.gz WQMIHOQIWQJDGF-AWEZNQCLSA-N 2 0 348.482 1.385 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)C1 ZINC000903954365 592396097 /nfs/dbraw/zinc/39/60/97/592396097.db2.gz RSYWYQBNTRHEJM-IPYPFGDCSA-N 2 0 333.398 1.848 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905111936 592412123 /nfs/dbraw/zinc/41/21/23/592412123.db2.gz VRDIRTQVMQHBJS-QZTJIDSGSA-N 2 0 335.492 1.087 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000905204031 592463297 /nfs/dbraw/zinc/46/32/97/592463297.db2.gz NBGUGBPQELAHGH-MOPGFXCFSA-N 2 0 348.487 1.399 20 0 EDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000904301135 592471599 /nfs/dbraw/zinc/47/15/99/592471599.db2.gz HPEUCSAVSZZNOP-YESZJQIVSA-N 3 0 338.540 1.720 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](C[C@@]3(C)CCC[NH2+]C3)CC2)cn1 ZINC000904315477 592474320 /nfs/dbraw/zinc/47/43/20/592474320.db2.gz BCALJOFEAWUQNG-SFHVURJKSA-N 2 0 333.480 1.252 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000908357249 592476506 /nfs/dbraw/zinc/47/65/06/592476506.db2.gz FKQJLMXJLIHXQO-HNNXBMFYSA-N 2 0 333.480 1.391 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240904 592485099 /nfs/dbraw/zinc/48/50/99/592485099.db2.gz BHWIREOFHGCGCK-ZWKOTPCHSA-N 2 0 334.460 1.001 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@H]1C(C)C ZINC000905502908 592545948 /nfs/dbraw/zinc/54/59/48/592545948.db2.gz LWWOQGYUOZKPMJ-YYWYGQEZSA-N 2 0 328.497 1.232 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000908592046 592556634 /nfs/dbraw/zinc/55/66/34/592556634.db2.gz FURQMMXHZGEKLX-XHSDSOJGSA-N 2 0 325.497 1.599 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907231772 592560026 /nfs/dbraw/zinc/56/00/26/592560026.db2.gz SKFYKDZGYWMIID-MRXNPFEDSA-N 2 0 332.492 1.117 20 0 EDADRP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000905586691 592582518 /nfs/dbraw/zinc/58/25/18/592582518.db2.gz OAEXSZFWBIEQOK-FPCVCCKLSA-N 2 0 339.480 1.146 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905650241 592596870 /nfs/dbraw/zinc/59/68/70/592596870.db2.gz FIQIDHZEDIXNIE-QGZVFWFLSA-N 2 0 332.517 1.819 20 0 EDADRP COc1nc(C)nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1C ZINC000905700003 592614020 /nfs/dbraw/zinc/61/40/20/592614020.db2.gz GZEAOBMUAKNBHZ-IYBDPMFKSA-N 2 0 331.464 1.507 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)cc1 ZINC000905889612 592668923 /nfs/dbraw/zinc/66/89/23/592668923.db2.gz NKFKTBVYKPCXPG-OALUTQOASA-N 2 0 336.476 1.520 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000906093095 592740369 /nfs/dbraw/zinc/74/03/69/592740369.db2.gz MHWQWSAPQZJLDX-LJQANCHMSA-N 2 0 344.503 1.261 20 0 EDADRP CC[C@H]1C[N@H+](C)CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000907928277 592848869 /nfs/dbraw/zinc/84/88/69/592848869.db2.gz BCGQUEQAJGDCRD-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000906581185 592857827 /nfs/dbraw/zinc/85/78/27/592857827.db2.gz SULXMLUPIDNQLG-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])c1cccs1 ZINC000906644098 592865388 /nfs/dbraw/zinc/86/53/88/592865388.db2.gz HOYQTWDAKNIWEB-CQSZACIVSA-N 2 0 346.456 1.564 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645823 592865793 /nfs/dbraw/zinc/86/57/93/592865793.db2.gz LMDJSKASMXASOD-KBPBESRZSA-N 2 0 332.448 1.320 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1([NH3+])C[C@H]1c1ccccc1 ZINC000911663537 592973194 /nfs/dbraw/zinc/97/31/94/592973194.db2.gz DVQNQTNXFUDCFW-FRQCXROJSA-N 2 0 325.412 1.696 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1=CCC[NH2+]CC1 ZINC000911743402 592995011 /nfs/dbraw/zinc/99/50/11/592995011.db2.gz AVRHQCGBUYVXQW-KRWDZBQOSA-N 2 0 343.427 1.844 20 0 EDADRP C[C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)[C@H]1C[NH3+] ZINC000911823879 593017401 /nfs/dbraw/zinc/01/74/01/593017401.db2.gz AOWJRMJPNAQOIG-IETSOEAISA-N 2 0 343.393 1.950 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)cc1 ZINC000911855376 593027703 /nfs/dbraw/zinc/02/77/03/593027703.db2.gz JELRQGDJUNHIMB-LIRZEXBASA-N 2 0 331.460 1.870 20 0 EDADRP CC(C)c1noc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000888378852 593039219 /nfs/dbraw/zinc/03/92/19/593039219.db2.gz BEMOAIFXLCAXKQ-CHWSQXEVSA-N 2 0 338.456 1.396 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475281 593176928 /nfs/dbraw/zinc/17/69/28/593176928.db2.gz BVPMMZXDVOKTQX-HNNXBMFYSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000769614717 593444784 /nfs/dbraw/zinc/44/47/84/593444784.db2.gz CIZTZGPEQVAJBO-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnn(C)c1Cl ZINC000816610614 593534536 /nfs/dbraw/zinc/53/45/36/593534536.db2.gz RIZDOJKRAVTJGN-OAHLLOKOSA-N 2 0 327.904 1.921 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnn(C)c1Cl ZINC000816610613 593534605 /nfs/dbraw/zinc/53/46/05/593534605.db2.gz RIZDOJKRAVTJGN-HNNXBMFYSA-N 2 0 327.904 1.921 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817891580 593645748 /nfs/dbraw/zinc/64/57/48/593645748.db2.gz DNKBULNUGDOPOX-CVEARBPZSA-N 2 0 325.478 1.213 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(CC[NH3+])cc2)CC[NH2+]CC1 ZINC000817949159 593651361 /nfs/dbraw/zinc/65/13/61/593651361.db2.gz PCVLNRJOVLFJOR-HNNXBMFYSA-N 3 0 333.476 1.599 20 0 EDADRP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817963894 593652226 /nfs/dbraw/zinc/65/22/26/593652226.db2.gz XRTYZVHRCSCVOZ-ZJUUUORDSA-N 2 0 336.404 1.937 20 0 EDADRP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817963893 593652289 /nfs/dbraw/zinc/65/22/89/593652289.db2.gz XRTYZVHRCSCVOZ-VHSXEESVSA-N 2 0 336.404 1.937 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)c2cccc(Cl)c2)C1 ZINC000819005233 593733722 /nfs/dbraw/zinc/73/37/22/593733722.db2.gz YYFZNCIJTDWDQF-HOCLYGCPSA-N 2 0 339.867 1.550 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)c1 ZINC000819010552 593733881 /nfs/dbraw/zinc/73/38/81/593733881.db2.gz CZEOMCVKSMAPED-SFHVURJKSA-N 2 0 333.407 1.984 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1 ZINC000819034962 593734964 /nfs/dbraw/zinc/73/49/64/593734964.db2.gz SUGORGYGOWRXRO-MLGOLLRUSA-N 2 0 329.847 1.738 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819366963 593752084 /nfs/dbraw/zinc/75/20/84/593752084.db2.gz VBGHXSBUYZFFAH-YOEHRIQHSA-N 2 0 340.489 1.445 20 0 EDADRP C[NH+]1CCC(N(CCO)C(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000824158759 593940855 /nfs/dbraw/zinc/94/08/55/593940855.db2.gz UWUWALWYAYTCEY-UHFFFAOYSA-N 2 0 349.475 1.794 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821268109 594003677 /nfs/dbraw/zinc/00/36/77/594003677.db2.gz SXWSZNDGAHXAMG-LBPRGKRZSA-N 2 0 335.481 1.044 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824593320 594044274 /nfs/dbraw/zinc/04/42/74/594044274.db2.gz QQSNVMBCDFCNBT-ZDUSSCGKSA-N 2 0 347.442 1.294 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C(\C)c1cnccn1 ZINC000825567578 594201357 /nfs/dbraw/zinc/20/13/57/594201357.db2.gz CFZPFASFYICRDO-HJUDDPQBSA-N 2 0 345.491 1.754 20 0 EDADRP CC1(C)[C@@H](O)CC[NH+]1Cc1cncc(C[N@H+]2CC[C@H](O)C2(C)C)c1 ZINC000829973435 594304526 /nfs/dbraw/zinc/30/45/26/594304526.db2.gz FEETXIFGHYMOFB-IRXDYDNUSA-N 2 0 333.476 1.772 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000828788144 594503903 /nfs/dbraw/zinc/50/39/03/594503903.db2.gz VQUZEKXMIYCUSB-UHFFFAOYSA-N 2 0 337.508 1.964 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000841017353 594839849 /nfs/dbraw/zinc/83/98/49/594839849.db2.gz DRQKSUCJYAUQRZ-MRXNPFEDSA-N 2 0 345.491 1.902 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000841020468 594840861 /nfs/dbraw/zinc/84/08/61/594840861.db2.gz RQQGQQGRMDYWJO-KGLIPLIRSA-N 2 0 332.448 1.635 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1 ZINC000841385526 594890985 /nfs/dbraw/zinc/89/09/85/594890985.db2.gz CZQNWIXCOJUJBX-OKZBNKHCSA-N 2 0 331.460 1.659 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000841847835 594964881 /nfs/dbraw/zinc/96/48/81/594964881.db2.gz VGTJRSBNISOQHV-DYVFJYSZSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000841896838 594976269 /nfs/dbraw/zinc/97/62/69/594976269.db2.gz RUYJBFRHFHVHGV-HKUYNNGSSA-N 2 0 330.476 1.950 20 0 EDADRP COc1cc(-c2noc(C[C@H]3CCC[NH2+]3)n2)ccc1OCC[NH+](C)C ZINC000843200585 595031758 /nfs/dbraw/zinc/03/17/58/595031758.db2.gz HKHMPSPUUWVKFM-CQSZACIVSA-N 2 0 346.431 1.980 20 0 EDADRP CC[C@H](C)C[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1=O ZINC000843310141 595070274 /nfs/dbraw/zinc/07/02/74/595070274.db2.gz IFXHFECEGHRUEZ-BPUTZDHNSA-N 2 0 336.480 1.512 20 0 EDADRP [NH3+]C[C@@H]1CCCN(CC(=O)NCc2ccc(N3CCCC3=O)cc2)C1 ZINC000843346585 595081536 /nfs/dbraw/zinc/08/15/36/595081536.db2.gz LUHDPPXUPKKRFJ-INIZCTEOSA-N 2 0 344.459 1.100 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)N2CCCO[C@H](C[NH3+])C2)cc(Cl)n1 ZINC000842509759 595123198 /nfs/dbraw/zinc/12/31/98/595123198.db2.gz LVLJSEVTNGRPAU-OLZOCXBDSA-N 2 0 326.828 1.010 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843476703 595123850 /nfs/dbraw/zinc/12/38/50/595123850.db2.gz JPPZQAIKUMPISB-MRXNPFEDSA-N 2 0 337.439 1.485 20 0 EDADRP [NH3+]C1(CNC(=O)c2ncccn2)CC[NH+](Cc2ccccc2)CC1 ZINC000842511965 595124134 /nfs/dbraw/zinc/12/41/34/595124134.db2.gz GVVHQONCIUOGBT-UHFFFAOYSA-N 2 0 325.416 1.200 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442162 595124288 /nfs/dbraw/zinc/12/42/88/595124288.db2.gz QZQPHOJOKFWWKG-SFHVURJKSA-N 2 0 342.487 1.896 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H](O)c2cc3ccccc3s2)CC1 ZINC000843074273 595281203 /nfs/dbraw/zinc/28/12/03/595281203.db2.gz CTVSFQXAZFVYKJ-HZPDHXFCSA-N 2 0 349.500 1.133 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844169644 595289957 /nfs/dbraw/zinc/28/99/57/595289957.db2.gz BLMHIKKKEVMANB-SJLPKXTDSA-N 2 0 331.460 1.754 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCC[NH2+]2)CC1 ZINC000843119435 595291139 /nfs/dbraw/zinc/29/11/39/595291139.db2.gz PBGUWJAYOOZTFC-KRWDZBQOSA-N 2 0 332.492 1.501 20 0 EDADRP Cc1ccc([C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000844180698 595294007 /nfs/dbraw/zinc/29/40/07/595294007.db2.gz STTOBKJOYSEGKQ-HOTGVXAUSA-N 2 0 335.448 1.610 20 0 EDADRP Cc1ccc([C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)o1 ZINC000844180697 595294017 /nfs/dbraw/zinc/29/40/17/595294017.db2.gz STTOBKJOYSEGKQ-CVEARBPZSA-N 2 0 335.448 1.610 20 0 EDADRP COCC1(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000844182681 595294804 /nfs/dbraw/zinc/29/48/04/595294804.db2.gz NRHFCFIKXLLUPZ-UHFFFAOYSA-N 2 0 349.475 1.606 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000844191596 595298349 /nfs/dbraw/zinc/29/83/49/595298349.db2.gz YXUIGAAVOOQZAG-GOSISDBHSA-N 2 0 346.475 1.141 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)CC1 ZINC000846674334 595298403 /nfs/dbraw/zinc/29/84/03/595298403.db2.gz MMCGYTIFIFGDOT-QGZVFWFLSA-N 3 0 333.480 1.046 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674125 595298540 /nfs/dbraw/zinc/29/85/40/595298540.db2.gz HTHYQKMSQWLYIQ-ROUUACIJSA-N 2 0 328.460 1.908 20 0 EDADRP [NH3+]C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844218578 595305152 /nfs/dbraw/zinc/30/51/52/595305152.db2.gz WHBADSQDJVJSAJ-MRXNPFEDSA-N 2 0 346.475 1.523 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844222936 595307418 /nfs/dbraw/zinc/30/74/18/595307418.db2.gz NTKKJCNOYSTNIT-CVEARBPZSA-N 2 0 346.475 1.521 20 0 EDADRP Cn1c(Cl)ncc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000848532268 595402862 /nfs/dbraw/zinc/40/28/62/595402862.db2.gz BRESQEXJZIVUNS-UHFFFAOYSA-N 2 0 348.882 1.770 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000848896251 595464371 /nfs/dbraw/zinc/46/43/71/595464371.db2.gz WJORGVZNZOGTID-IYKSTZQJSA-N 2 0 347.459 1.724 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000849071427 595477909 /nfs/dbraw/zinc/47/79/09/595477909.db2.gz SPBGCNKCWZBSAQ-CQSZACIVSA-N 2 0 339.484 1.596 20 0 EDADRP CO[C@@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000849085402 595479751 /nfs/dbraw/zinc/47/97/51/595479751.db2.gz JDODPJWZKSDKOJ-LJQANCHMSA-N 2 0 346.475 1.570 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC3=[NH+]CCCN3C)cc2)CC1 ZINC000849110748 595483613 /nfs/dbraw/zinc/48/36/13/595483613.db2.gz MZTMLPLQYLRWKA-UHFFFAOYSA-N 2 0 329.492 1.605 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849497907 595551355 /nfs/dbraw/zinc/55/13/55/595551355.db2.gz PLHVNFBMSLJDOJ-IRXDYDNUSA-N 2 0 335.496 1.302 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849540974 595559866 /nfs/dbraw/zinc/55/98/66/595559866.db2.gz KLPZJIWGGLVARR-QZTJIDSGSA-N 2 0 349.523 1.694 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)=NO1 ZINC000852856615 595577958 /nfs/dbraw/zinc/57/79/58/595577958.db2.gz BZXLVVKSCVINSF-MRXNPFEDSA-N 2 0 330.432 1.392 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000852857826 595578796 /nfs/dbraw/zinc/57/87/96/595578796.db2.gz HIQVBYAANFARKR-PBHICJAKSA-N 2 0 344.459 1.638 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857503 595578988 /nfs/dbraw/zinc/57/89/88/595578988.db2.gz VQWYGQWUZDAELJ-HNNXBMFYSA-N 2 0 334.420 1.449 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000852866170 595585778 /nfs/dbraw/zinc/58/57/78/595585778.db2.gz UHBRJLYEDSVOQC-UHFFFAOYSA-N 2 0 343.471 1.569 20 0 EDADRP CN(CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)CC[NH+](C)C ZINC000857783866 595611371 /nfs/dbraw/zinc/61/13/71/595611371.db2.gz GIDSEQYFWKZSCQ-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853249186 595719527 /nfs/dbraw/zinc/71/95/27/595719527.db2.gz OFUAZVMFEFRYLM-GJZGRUSLSA-N 2 0 331.460 1.860 20 0 EDADRP COc1cncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1 ZINC000850242600 595784091 /nfs/dbraw/zinc/78/40/91/595784091.db2.gz WDJOSCOQJJTASX-SFHVURJKSA-N 2 0 327.428 1.947 20 0 EDADRP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000851780814 595920951 /nfs/dbraw/zinc/92/09/51/595920951.db2.gz KQYPCNWHLOEKFO-GJZGRUSLSA-N 2 0 334.397 1.989 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000854244570 596014093 /nfs/dbraw/zinc/01/40/93/596014093.db2.gz LFQIANSHFBBUCJ-XHSDSOJGSA-N 2 0 340.512 1.610 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+](C)C)C2)ccn1 ZINC000856659046 596042938 /nfs/dbraw/zinc/04/29/38/596042938.db2.gz XNQXTKGHFMFTQV-KRWDZBQOSA-N 2 0 334.464 1.463 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000861768601 596096020 /nfs/dbraw/zinc/09/60/20/596096020.db2.gz MASLXTKKTPJIQF-CABCVRRESA-N 2 0 346.475 1.134 20 0 EDADRP CCC[NH+]1CCC([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000866576517 596255878 /nfs/dbraw/zinc/25/58/78/596255878.db2.gz GXKAUNRITCISRE-UHFFFAOYSA-N 2 0 339.505 1.601 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000866666437 596285437 /nfs/dbraw/zinc/28/54/37/596285437.db2.gz QKTPTWKTEHKILL-ROUUACIJSA-N 2 0 330.476 1.692 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000866711152 596304099 /nfs/dbraw/zinc/30/40/99/596304099.db2.gz CXJHSNPVRKHKDJ-BPQIPLTHSA-N 2 0 343.427 1.126 20 0 EDADRP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714809 596306942 /nfs/dbraw/zinc/30/69/42/596306942.db2.gz XYPRTONFYVDLNU-FMKPAKJESA-N 2 0 341.415 1.010 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@H](C)C1 ZINC000870887735 596391372 /nfs/dbraw/zinc/39/13/72/596391372.db2.gz GQJOLKBSMHBPIA-XNGIKWSVSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000870946183 596415009 /nfs/dbraw/zinc/41/50/09/596415009.db2.gz QOVXSBIPYCLQEY-OSMZGAPFSA-N 2 0 340.265 1.892 20 0 EDADRP CN(C[C@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)[C@H](N)CC[NH+](C)C ZINC000871018592 596440011 /nfs/dbraw/zinc/44/00/11/596440011.db2.gz CEVUHGAQNRFZLC-RTBURBONSA-N 2 0 346.519 1.779 20 0 EDADRP c1nc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cn1C1CC1 ZINC000865439338 596574721 /nfs/dbraw/zinc/57/47/21/596574721.db2.gz UNZSGBZMUSZOPD-UHFFFAOYSA-N 2 0 340.475 1.915 20 0 EDADRP CC[C@H](C(=O)N1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000871466960 596593126 /nfs/dbraw/zinc/59/31/26/596593126.db2.gz AZGVGSAHQBKTNG-HRCADAONSA-N 2 0 340.512 1.164 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]C[C@H]1CCN1C1CCCC1 ZINC000863582583 596626165 /nfs/dbraw/zinc/62/61/65/596626165.db2.gz OHYZHVWCRJGTSV-HZPDHXFCSA-N 2 0 341.496 1.869 20 0 EDADRP [NH3+]C[C@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C(F)(F)F ZINC000867984360 596644587 /nfs/dbraw/zinc/64/45/87/596644587.db2.gz WCBLQBCNEYZKDT-DTWKUNHWSA-N 2 0 340.143 1.455 20 0 EDADRP C[C@@H](CNC(=O)/C=C\CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000865696446 596652768 /nfs/dbraw/zinc/65/27/68/596652768.db2.gz DIYJLDYYGTTYPD-SKHCZCESSA-N 2 0 331.460 1.512 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000868130273 596696697 /nfs/dbraw/zinc/69/66/97/596696697.db2.gz JGQTYNZXOKAYNG-GDBMZVCRSA-N 2 0 345.447 1.205 20 0 EDADRP COc1cncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870016376 596708863 /nfs/dbraw/zinc/70/88/63/596708863.db2.gz MHNMARNSSPYFOE-HUUCEWRRSA-N 2 0 334.464 1.210 20 0 EDADRP Cc1c(N)cccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868171529 596710058 /nfs/dbraw/zinc/71/00/58/596710058.db2.gz OPZJCPVOFXTNRK-HUUCEWRRSA-N 2 0 333.480 1.780 20 0 EDADRP Cc1n[nH]c(C)c1[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022296 596712727 /nfs/dbraw/zinc/71/27/27/596712727.db2.gz RCFSBNRRFMNABH-DAXOMENPSA-N 2 0 335.496 1.328 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000868217912 596729607 /nfs/dbraw/zinc/72/96/07/596729607.db2.gz WLOYTZFJBSJGKN-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868231851 596737531 /nfs/dbraw/zinc/73/75/31/596737531.db2.gz JUXIUQRXMSATJH-YESZJQIVSA-N 2 0 344.459 1.382 20 0 EDADRP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969699 596738183 /nfs/dbraw/zinc/73/81/83/596738183.db2.gz YLZWWZKQQVLHKV-IRXDYDNUSA-N 2 0 326.481 1.229 20 0 EDADRP CC[C@@H]1CN(CC)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242813 596742527 /nfs/dbraw/zinc/74/25/27/596742527.db2.gz BLWGWWLONMFAGX-IXDOHACOSA-N 2 0 344.459 1.382 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000868362813 596803074 /nfs/dbraw/zinc/80/30/74/596803074.db2.gz BBVJFVAQZPUYKX-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1)C1CCCC1 ZINC000872157045 596815671 /nfs/dbraw/zinc/81/56/71/596815671.db2.gz NERNRQFSGHSAQL-CZUORRHYSA-N 2 0 336.480 1.594 20 0 EDADRP CCOCCNC(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158680 596817029 /nfs/dbraw/zinc/81/70/29/596817029.db2.gz WWKQPZLZRNWUAK-WBVHZDCISA-N 2 0 325.497 1.759 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc([C@]3(C[NH3+])CCCOC3)n2)cc1 ZINC000872173117 596819796 /nfs/dbraw/zinc/81/97/96/596819796.db2.gz KULPWILXRWYBRY-SFHVURJKSA-N 2 0 346.431 1.684 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1 ZINC000872285700 596867011 /nfs/dbraw/zinc/86/70/11/596867011.db2.gz CXKGWHJYTIWRFY-BBWFWOEESA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411789 596879778 /nfs/dbraw/zinc/87/97/78/596879778.db2.gz WDZOBSQEWLIYBF-CJNGLKHVSA-N 2 0 337.439 1.978 20 0 EDADRP C[C@H]1CSC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875576520 596903399 /nfs/dbraw/zinc/90/33/99/596903399.db2.gz XAOUNYYXLIBIBM-GBJTYRQASA-N 2 0 328.526 1.119 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@H]1CC ZINC000875579151 596903558 /nfs/dbraw/zinc/90/35/58/596903558.db2.gz VXEAHZOPFLGERR-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(C)C ZINC000872696466 597036113 /nfs/dbraw/zinc/03/61/13/597036113.db2.gz SUEUEYXUUHQHEB-GOSISDBHSA-N 2 0 336.480 1.277 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000874838215 597192663 /nfs/dbraw/zinc/19/26/63/597192663.db2.gz OHXXMFPNZBPBFA-DLBZAZTESA-N 2 0 335.492 1.717 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000874998452 597237575 /nfs/dbraw/zinc/23/75/75/597237575.db2.gz DNZUSGZQVCMQSD-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@H]1C ZINC000875071807 597269837 /nfs/dbraw/zinc/26/98/37/597269837.db2.gz NHAANGNOWSMGLK-OAGGEKHMSA-N 2 0 340.512 1.394 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000876646318 597273159 /nfs/dbraw/zinc/27/31/59/597273159.db2.gz ULDDMQRPWZLHOM-UHFFFAOYSA-N 2 0 346.431 1.423 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875112117 597287041 /nfs/dbraw/zinc/28/70/41/597287041.db2.gz DQJCAYKMRWZTMK-KSTDHSDQSA-N 2 0 340.512 1.212 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000876711988 597299564 /nfs/dbraw/zinc/29/95/64/597299564.db2.gz KPDLGXVFZNBMHG-INIZCTEOSA-N 2 0 338.883 1.310 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000876737935 597314966 /nfs/dbraw/zinc/31/49/66/597314966.db2.gz XCRZBSQSIJRJLD-USXIJHARSA-N 2 0 347.507 1.966 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CCCC[NH2+]1 ZINC000876779444 597338061 /nfs/dbraw/zinc/33/80/61/597338061.db2.gz FEPNKUPUJUSRJZ-IBGZPJMESA-N 2 0 346.475 1.536 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000876851356 597359005 /nfs/dbraw/zinc/35/90/05/597359005.db2.gz JZDLKKXTEPSWEG-QAPCUYQASA-N 2 0 331.464 1.332 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000875308818 597379079 /nfs/dbraw/zinc/37/90/79/597379079.db2.gz NOMNRAPGHINKHI-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(C[NH3+])cc1F ZINC000876947253 597392904 /nfs/dbraw/zinc/39/29/04/597392904.db2.gz AOUFOBUMWQDCAT-OAHLLOKOSA-N 2 0 345.422 1.644 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958630 597396853 /nfs/dbraw/zinc/39/68/53/597396853.db2.gz IZLXLEIMVXUOIC-CABCVRRESA-N 2 0 333.480 1.719 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000877029475 597416745 /nfs/dbraw/zinc/41/67/45/597416745.db2.gz DFUMDKNKQUPLBB-CYBMUJFWSA-N 2 0 344.253 1.143 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@H](N)CC[NH+](C)C ZINC000877030919 597416962 /nfs/dbraw/zinc/41/69/62/597416962.db2.gz NSOOAHHEOHZRQS-JFIYKMOQSA-N 2 0 330.476 1.408 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)o1 ZINC000877075433 597426616 /nfs/dbraw/zinc/42/66/16/597426616.db2.gz CBRXHIXMIWNMTB-UHFFFAOYSA-N 2 0 341.477 1.814 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000877120776 597437806 /nfs/dbraw/zinc/43/78/06/597437806.db2.gz VEAPTYRNAXMRJF-HNNXBMFYSA-N 2 0 339.443 1.307 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2F)CC1 ZINC000877266340 597483206 /nfs/dbraw/zinc/48/32/06/597483206.db2.gz PJNMFYZSIYWTPK-GOEBONIOSA-N 2 0 336.411 1.022 20 0 EDADRP COCCC1(NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC[NH2+]CC1 ZINC000877268423 597484173 /nfs/dbraw/zinc/48/41/73/597484173.db2.gz DTPQVVIYPPIJTE-DOTOQJQBSA-N 2 0 349.475 1.194 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1(C)C ZINC000877342419 597496196 /nfs/dbraw/zinc/49/61/96/597496196.db2.gz BLSRRZYCUHLZHV-FRQCXROJSA-N 2 0 331.460 1.350 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877385993 597507272 /nfs/dbraw/zinc/50/72/72/597507272.db2.gz SAMSBVVBZNZBIT-CXAGYDPISA-N 2 0 334.489 1.933 20 0 EDADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CCCOC1 ZINC000877445218 597516660 /nfs/dbraw/zinc/51/66/60/597516660.db2.gz RUMYGWPPMXYEJL-KVSKMBFKSA-N 2 0 337.508 1.888 20 0 EDADRP Cn1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C(C)(C)C)n1 ZINC000877669262 597546417 /nfs/dbraw/zinc/54/64/17/597546417.db2.gz AHMVIDUEGWORID-HZPDHXFCSA-N 2 0 335.540 1.889 20 0 EDADRP COCCOc1ccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877669492 597546443 /nfs/dbraw/zinc/54/64/43/597546443.db2.gz LPEWYGFVJSTBLE-RTBURBONSA-N 2 0 349.519 1.883 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC(N4CC[NH+](C)CC4)CC3)ccc21 ZINC000877747437 597552914 /nfs/dbraw/zinc/55/29/14/597552914.db2.gz LFOCOZLYWRZJDP-UHFFFAOYSA-N 2 0 328.464 1.180 20 0 EDADRP c1nnnn1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000878160039 597583000 /nfs/dbraw/zinc/58/30/00/597583000.db2.gz DICKMKHFPBJDJJ-SFHVURJKSA-N 2 0 326.448 1.661 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H]3CSC[C@H]3C2)CC1 ZINC000879558334 597631739 /nfs/dbraw/zinc/63/17/39/597631739.db2.gz IRGAMDZJPJMSDX-LSDHHAIUSA-N 2 0 325.522 1.660 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1CC)[NH+]1CCOCC1 ZINC000883096598 597646932 /nfs/dbraw/zinc/64/69/32/597646932.db2.gz LWXFENBXXMSJBE-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1c1cc[nH+]cc1 ZINC000881632916 597665867 /nfs/dbraw/zinc/66/58/67/597665867.db2.gz GHVKEGCPCIYBNE-HNNXBMFYSA-N 2 0 328.460 1.993 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H](CF)C1 ZINC000883250749 597694153 /nfs/dbraw/zinc/69/41/53/597694153.db2.gz MNSWSCGCBOXWLW-MRXNPFEDSA-N 2 0 349.454 1.595 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000883435872 597745646 /nfs/dbraw/zinc/74/56/46/597745646.db2.gz FDKUMISHQSVKFT-OAHLLOKOSA-N 2 0 344.463 1.804 20 0 EDADRP [NH3+]C/C=C/CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586749 597815235 /nfs/dbraw/zinc/81/52/35/597815235.db2.gz RPYVDOCCMIWPHM-WZHGYECESA-N 2 0 329.448 1.607 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CCN1c1cc[nH+]cc1 ZINC000883592218 597818274 /nfs/dbraw/zinc/81/82/74/597818274.db2.gz AIOUZIOQRKBHTG-OAHLLOKOSA-N 2 0 331.464 1.786 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-n2nccn2)c1 ZINC000880341040 597907884 /nfs/dbraw/zinc/90/78/84/597907884.db2.gz PABKGPWXKWEHSO-UHFFFAOYSA-N 2 0 345.451 1.224 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000884020820 597969965 /nfs/dbraw/zinc/96/99/65/597969965.db2.gz KUARZXJYJCGJCB-GOSISDBHSA-N 2 0 336.439 1.855 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000880599630 597977699 /nfs/dbraw/zinc/97/76/99/597977699.db2.gz NUKQUIOWGMGLAI-HNNXBMFYSA-N 2 0 335.452 1.376 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000884185657 598018228 /nfs/dbraw/zinc/01/82/28/598018228.db2.gz CAMPHPBFYLDJTD-RVKKMQEKSA-N 2 0 349.475 1.276 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000884202534 598027213 /nfs/dbraw/zinc/02/72/13/598027213.db2.gz AQDULANUNYMOEA-OAHLLOKOSA-N 2 0 325.478 1.440 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@H](C)[C@@H]2CN(C)CCO2)CC1 ZINC000884229127 598037583 /nfs/dbraw/zinc/03/75/83/598037583.db2.gz INPXAUQJCXIPCG-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884316502 598063229 /nfs/dbraw/zinc/06/32/29/598063229.db2.gz UOCSFLGWIJVYSJ-SJORKVTESA-N 2 0 343.475 1.048 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884389071 598089565 /nfs/dbraw/zinc/08/95/65/598089565.db2.gz NYXPCJAWPLETLV-UHFFFAOYSA-N 2 0 331.464 1.049 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000884412160 598097704 /nfs/dbraw/zinc/09/77/04/598097704.db2.gz KCEDYBGUZZEBCJ-IRXDYDNUSA-N 2 0 338.540 1.623 20 0 EDADRP C[C@H]1Cc2c[nH]nc2[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000884463689 598112603 /nfs/dbraw/zinc/11/26/03/598112603.db2.gz PMOQBGZOTREPKE-SWLSCSKDSA-N 2 0 340.431 1.519 20 0 EDADRP CC[C@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000914072862 695063617 /nfs/dbraw/zinc/06/36/17/695063617.db2.gz ZMLOQYVSDUMUSA-MSOLQXFVSA-N 2 0 330.476 1.827 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1)[NH+]1CCCCC1 ZINC000992690977 695208046 /nfs/dbraw/zinc/20/80/46/695208046.db2.gz MSRHSUWZMMEJBE-BBWFWOEESA-N 2 0 337.508 1.460 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1)C1CCC1 ZINC000992719481 695235404 /nfs/dbraw/zinc/23/54/04/695235404.db2.gz ZPUKPUYUCXOBBK-JCGIZDLHSA-N 2 0 346.475 1.876 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)C[NH+]3CCOCC3)C[C@H]21 ZINC000992748324 695269963 /nfs/dbraw/zinc/26/99/63/695269963.db2.gz LSGUXICTRGBYLI-GVDBMIGSSA-N 2 0 337.508 1.581 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1)C[NH+](C)C ZINC000914314521 695351925 /nfs/dbraw/zinc/35/19/25/695351925.db2.gz XKPICZQHKJRWCQ-JFIYKMOQSA-N 2 0 342.528 1.763 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)o1 ZINC000992904456 695440562 /nfs/dbraw/zinc/44/05/62/695440562.db2.gz FQHTXGJOBOALGL-BRWVUGGUSA-N 2 0 346.475 1.796 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccs2)C1 ZINC000915457299 695826082 /nfs/dbraw/zinc/82/60/82/695826082.db2.gz AKOAYEHYEOAHHA-CABCVRRESA-N 2 0 336.505 1.963 20 0 EDADRP CCO[C@@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)C[NH+](C)C ZINC000915649212 695960615 /nfs/dbraw/zinc/96/06/15/695960615.db2.gz VCNXWIRIJAFNBB-INIZCTEOSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1CCO ZINC000993800747 696377808 /nfs/dbraw/zinc/37/78/08/696377808.db2.gz AXFTZCWGTXOOMX-CRAIPNDOSA-N 2 0 333.476 1.366 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000916032280 696615280 /nfs/dbraw/zinc/61/52/80/696615280.db2.gz MTDBBLWEHZMQLH-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1)C1CCCC1 ZINC000916979182 696868500 /nfs/dbraw/zinc/86/85/00/696868500.db2.gz JDCOBOBDCNRWMR-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994505076 696947811 /nfs/dbraw/zinc/94/78/11/696947811.db2.gz IGNIPQPSUUVCBA-NVXWUHKLSA-N 2 0 327.432 1.756 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000918210182 697142535 /nfs/dbraw/zinc/14/25/35/697142535.db2.gz SGEBAZHLIPHXDS-GJZGRUSLSA-N 2 0 328.526 1.597 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919636731 697308681 /nfs/dbraw/zinc/30/86/81/697308681.db2.gz YRPGVKAELRXCHG-IRXDYDNUSA-N 2 0 349.479 1.094 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(CCO[C@H]2CC2(F)F)C1 ZINC001031666867 697452148 /nfs/dbraw/zinc/45/21/48/697452148.db2.gz SRLUJCIRHSVUPZ-CABCVRRESA-N 2 0 345.434 1.331 20 0 EDADRP CC1CC(C[NH+]2CC(CNC(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC001031677841 697490946 /nfs/dbraw/zinc/49/09/46/697490946.db2.gz ZOCLYXWRIQPQGI-UHFFFAOYSA-N 2 0 333.480 1.152 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H](OC)C2CCC2)C1 ZINC001031713664 697732532 /nfs/dbraw/zinc/73/25/32/697732532.db2.gz DMHJKTOMYXPKIP-ROUUACIJSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1C ZINC000940121151 700254535 /nfs/dbraw/zinc/25/45/35/700254535.db2.gz YBGUYAFNAZEXMD-NVXWUHKLSA-N 2 0 347.507 1.539 20 0 EDADRP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001031773934 699126539 /nfs/dbraw/zinc/12/65/39/699126539.db2.gz IDAALBYRHSNKNP-LJQANCHMSA-N 2 0 344.503 1.785 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3C[NH+](CC4CC4)C3)CC2)C1 ZINC000941531939 701572618 /nfs/dbraw/zinc/57/26/18/701572618.db2.gz KZDOOJZSOBVQTG-SFHVURJKSA-N 2 0 348.535 1.347 20 0 EDADRP Cc1cnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939128728 699207435 /nfs/dbraw/zinc/20/74/35/699207435.db2.gz OURKDTIUSPQKIP-HIFRSBDPSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939128806 699207929 /nfs/dbraw/zinc/20/79/29/699207929.db2.gz QGYUCKLOIKOTID-WBVHZDCISA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCn1cccn1 ZINC000939136689 699223124 /nfs/dbraw/zinc/22/31/24/699223124.db2.gz BOXMZCVYWSCPTI-JKSUJKDBSA-N 2 0 333.480 1.052 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)[NH+](C)C ZINC000941547419 701576516 /nfs/dbraw/zinc/57/65/16/701576516.db2.gz AKQODNHZKRHYLS-ZBFHGGJFSA-N 2 0 343.431 1.005 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031806599 699429556 /nfs/dbraw/zinc/42/95/56/699429556.db2.gz IDUVPZSSAIQKKA-SJLPKXTDSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1cncs1 ZINC000939398632 699547752 /nfs/dbraw/zinc/54/77/52/699547752.db2.gz PMFMPOCJMSAVGC-GDBMZVCRSA-N 2 0 336.505 1.812 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000941627659 701599337 /nfs/dbraw/zinc/59/93/37/701599337.db2.gz JEGSKYZEUNPCRF-UHFFFAOYSA-N 2 0 336.524 1.344 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@](C)(c3ccccc3)[NH+](C)C)CC2)C1 ZINC000941633991 701601220 /nfs/dbraw/zinc/60/12/20/701601220.db2.gz AYTHYPBYENGPHK-FQEVSTJZSA-N 2 0 344.503 1.312 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@H]2C)on1 ZINC000939533952 699672165 /nfs/dbraw/zinc/67/21/65/699672165.db2.gz GYYDBQPDBSOKMG-SMDDNHRTSA-N 2 0 331.420 1.620 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939543655 699685069 /nfs/dbraw/zinc/68/50/69/699685069.db2.gz FQIMOBWCPGWHKU-DZGCQCFKSA-N 2 0 348.878 1.767 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939547044 699689179 /nfs/dbraw/zinc/68/91/79/699689179.db2.gz VZWSYGMZJJQDQD-RHSMWYFYSA-N 2 0 331.435 1.858 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941674457 701614499 /nfs/dbraw/zinc/61/44/99/701614499.db2.gz CAJCOQJDEQHYAQ-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995004311 699902207 /nfs/dbraw/zinc/90/22/07/699902207.db2.gz CVAMMBVAFAJLSU-RDJZCZTQSA-N 2 0 346.475 1.986 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)sn1 ZINC000939753541 699903104 /nfs/dbraw/zinc/90/31/04/699903104.db2.gz GONUKFLYULHZPP-TZMCWYRMSA-N 2 0 338.477 1.184 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)ccn1 ZINC000939755892 699922326 /nfs/dbraw/zinc/92/23/26/699922326.db2.gz RMDDHCKJDXYWLI-ZBFHGGJFSA-N 2 0 332.448 1.123 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939755906 699922459 /nfs/dbraw/zinc/92/24/59/699922459.db2.gz RRBVKDWZTOTRHO-DGCLKSJQSA-N 2 0 342.896 1.829 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939757617 699924689 /nfs/dbraw/zinc/92/46/89/699924689.db2.gz ZCUFJKXOYACXMK-CXAGYDPISA-N 2 0 337.414 1.997 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)ncn1 ZINC000940148669 700281581 /nfs/dbraw/zinc/28/15/81/700281581.db2.gz CHGWOFDUTUXTTA-QGZVFWFLSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000940164557 700298990 /nfs/dbraw/zinc/29/89/90/700298990.db2.gz QAPAIIZVEBBZNA-KRWDZBQOSA-N 2 0 349.523 1.785 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)C1 ZINC000940328029 700505925 /nfs/dbraw/zinc/50/59/25/700505925.db2.gz CQRMCIQWDHNTCC-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940328949 700507718 /nfs/dbraw/zinc/50/77/18/700507718.db2.gz ONLJCRQYWXAKPX-CYBMUJFWSA-N 2 0 337.493 1.493 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000940329227 700508262 /nfs/dbraw/zinc/50/82/62/700508262.db2.gz RTZMVMBVIFKZDX-INIZCTEOSA-N 2 0 347.507 1.858 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@@H]1CCCc2nc[nH]c21 ZINC001031968413 701651794 /nfs/dbraw/zinc/65/17/94/701651794.db2.gz VRECYOQQXMBFLA-LSDHHAIUSA-N 2 0 332.448 1.447 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472377 700657765 /nfs/dbraw/zinc/65/77/65/700657765.db2.gz VCDIGCQOKJWWFE-GASCZTMLSA-N 2 0 348.495 1.159 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000940472371 700657920 /nfs/dbraw/zinc/65/79/20/700657920.db2.gz UVEIICYHNFOJAX-KBPBESRZSA-N 2 0 349.479 1.722 20 0 EDADRP Cc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169835 701668437 /nfs/dbraw/zinc/66/84/37/701668437.db2.gz UVUODPVRTYAYAU-ZBFHGGJFSA-N 2 0 332.448 1.453 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940750432 700888843 /nfs/dbraw/zinc/88/88/43/700888843.db2.gz HDCWVMAYULIUSQ-INIZCTEOSA-N 2 0 335.496 1.683 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995108088 700961875 /nfs/dbraw/zinc/96/18/75/700961875.db2.gz BDGNNJGKAWKNOY-IAGOWNOFSA-N 2 0 345.491 1.583 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@H](CC)OC)C2)C1 ZINC001031919225 701044379 /nfs/dbraw/zinc/04/43/79/701044379.db2.gz OZXWLAOEDYPHSK-IRXDYDNUSA-N 2 0 325.497 1.581 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)C2)cn1 ZINC000941003701 701047172 /nfs/dbraw/zinc/04/71/72/701047172.db2.gz YAUKUFXSAIQUOM-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)cc1 ZINC000941027852 701067993 /nfs/dbraw/zinc/06/79/93/701067993.db2.gz IOCUNWCYMAWXBQ-SFHVURJKSA-N 2 0 347.503 1.613 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC000995171177 701693851 /nfs/dbraw/zinc/69/38/51/701693851.db2.gz YVRAAYFFSWLWQZ-ZBFHGGJFSA-N 2 0 346.450 1.691 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000941236963 701427592 /nfs/dbraw/zinc/42/75/92/701427592.db2.gz DLWSTKRJXJNVIP-HZPDHXFCSA-N 2 0 325.497 1.460 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000999171743 706602076 /nfs/dbraw/zinc/60/20/76/706602076.db2.gz YBVCTTQPBIGPIU-HZPDHXFCSA-N 2 0 348.516 1.874 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCCC3CCC3)C2)CC1 ZINC000941345583 701481064 /nfs/dbraw/zinc/48/10/64/701481064.db2.gz YCBCDUXDKHOECC-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999172053 706602811 /nfs/dbraw/zinc/60/28/11/706602811.db2.gz YYOGATDHTULBQY-RTBURBONSA-N 2 0 342.487 1.812 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)CCc3c[nH]cn3)CC2)C1 ZINC000941433483 701538972 /nfs/dbraw/zinc/53/89/72/701538972.db2.gz WYJPLSXMUMLYNE-UHFFFAOYSA-N 2 0 333.480 1.217 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)C(C)(C)[N@H+](C)C3CCCC3)CC2)C1 ZINC000941468270 701549283 /nfs/dbraw/zinc/54/92/83/701549283.db2.gz QYUCJOJKHBBYEO-UHFFFAOYSA-N 2 0 336.524 1.488 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129004 701804335 /nfs/dbraw/zinc/80/43/35/701804335.db2.gz OILDVXDKJUAEHG-SJLPKXTDSA-N 2 0 347.507 1.131 20 0 EDADRP CCN1CCO[C@@H](C(=O)NCC2C[NH+](CCc3ccccc3F)C2)C1 ZINC001032201509 701832332 /nfs/dbraw/zinc/83/23/32/701832332.db2.gz GJZOKLGVGPKPFT-GOSISDBHSA-N 2 0 349.450 1.137 20 0 EDADRP Cc1cccc(OCC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)c1 ZINC001031976580 701967903 /nfs/dbraw/zinc/96/79/03/701967903.db2.gz OQRPIEYMJOMHJA-LPHOPBHVSA-N 2 0 345.487 1.620 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977819 702037929 /nfs/dbraw/zinc/03/79/29/702037929.db2.gz JCUJPCDKMPSDLZ-QAPCUYQASA-N 2 0 344.503 1.498 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995800543 702043202 /nfs/dbraw/zinc/04/32/02/702043202.db2.gz GAOIDXDQLYHYQO-IRXDYDNUSA-N 2 0 347.507 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995791891 702086851 /nfs/dbraw/zinc/08/68/51/702086851.db2.gz FAPDERNDGNALEW-DLBZAZTESA-N 2 0 347.507 1.620 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995822457 702092043 /nfs/dbraw/zinc/09/20/43/702092043.db2.gz CADCDPMTAWSXCQ-KBRIMQKVSA-N 2 0 348.466 1.888 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001032206133 702129080 /nfs/dbraw/zinc/12/90/80/702129080.db2.gz SJANJIFARFBJGW-QGZVFWFLSA-N 2 0 331.464 1.207 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000995877056 702182657 /nfs/dbraw/zinc/18/26/57/702182657.db2.gz FJGONXKPVYUPCK-CYBMUJFWSA-N 2 0 325.478 1.242 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH2+]CC1CC1 ZINC000995900516 702206242 /nfs/dbraw/zinc/20/62/42/702206242.db2.gz YHTVRRLQEKBDSD-QZTJIDSGSA-N 2 0 349.519 1.866 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)ncn1 ZINC000995921836 702244147 /nfs/dbraw/zinc/24/41/47/702244147.db2.gz YUUOFOREKUHRND-QGZVFWFLSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000995933465 702299475 /nfs/dbraw/zinc/29/94/75/702299475.db2.gz LJHFWLHRLAUPRH-SJORKVTESA-N 2 0 347.507 1.698 20 0 EDADRP CCc1ccc([C@H](O)C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032185666 702304583 /nfs/dbraw/zinc/30/45/83/702304583.db2.gz AVSCXIKZYWMPRP-RTBURBONSA-N 2 0 345.487 1.282 20 0 EDADRP CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000995959841 702326919 /nfs/dbraw/zinc/32/69/19/702326919.db2.gz SKCXXGSZPCOJRA-OAHLLOKOSA-N 2 0 325.497 1.581 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995982921 702343174 /nfs/dbraw/zinc/34/31/74/702343174.db2.gz QQAUQCIRZIFKCM-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)o1 ZINC000995986668 702348813 /nfs/dbraw/zinc/34/88/13/702348813.db2.gz ZETPQNPACUCCGU-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995995217 702373563 /nfs/dbraw/zinc/37/35/63/702373563.db2.gz GZNOXDFLJGHGRG-INIZCTEOSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944157356 702454298 /nfs/dbraw/zinc/45/42/98/702454298.db2.gz ZPILSFMBVFWFCF-SJLPKXTDSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1cncn1CC(=O)N1C[C@@H](NCc2cscn2)C(C)(C)C1 ZINC000996059482 702468014 /nfs/dbraw/zinc/46/80/14/702468014.db2.gz MLYRMWLRAYIGGF-CQSZACIVSA-N 2 0 333.461 1.675 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CCC1 ZINC000996070452 702481529 /nfs/dbraw/zinc/48/15/29/702481529.db2.gz MHEHYCFXJCOJPO-ASPXRTSYSA-N 2 0 347.503 1.476 20 0 EDADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942056482 702504501 /nfs/dbraw/zinc/50/45/01/702504501.db2.gz HWZNJIRTTCPDGZ-CVEARBPZSA-N 2 0 335.496 1.685 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995549997 702540473 /nfs/dbraw/zinc/54/04/73/702540473.db2.gz GUSRTTIEZQSOHI-CVEARBPZSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208689 702679316 /nfs/dbraw/zinc/67/93/16/702679316.db2.gz ILDCFZXIVAVUOL-CVEARBPZSA-N 2 0 331.464 1.255 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996300079 702691175 /nfs/dbraw/zinc/69/11/75/702691175.db2.gz JQWKRGPIERDVOC-GOEBONIOSA-N 2 0 333.480 1.231 20 0 EDADRP CC(C)n1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995211704 702692775 /nfs/dbraw/zinc/69/27/75/702692775.db2.gz NTWVZIAAOHVNLD-DLBZAZTESA-N 2 0 347.507 1.934 20 0 EDADRP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996301491 702693337 /nfs/dbraw/zinc/69/33/37/702693337.db2.gz UFPLUXLZBICNST-TZMCWYRMSA-N 2 0 335.452 1.189 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1(C)C ZINC000996307310 702695124 /nfs/dbraw/zinc/69/51/24/702695124.db2.gz ASRTVYWKBBUJIY-INIZCTEOSA-N 2 0 347.507 1.479 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2(C)C)cn1 ZINC000996308293 702698562 /nfs/dbraw/zinc/69/85/62/702698562.db2.gz FDLCAKBZKPQYCI-MRXNPFEDSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2(C)C)o1 ZINC000996312305 702701116 /nfs/dbraw/zinc/70/11/16/702701116.db2.gz YQVKXUHOJWPQPE-AWEZNQCLSA-N 2 0 349.479 1.437 20 0 EDADRP Cc1cc(CN2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)no1 ZINC000942257140 702747902 /nfs/dbraw/zinc/74/79/02/702747902.db2.gz JNZMJVWQSZTSMI-YOEHRIQHSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)C[NH2+][C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1(C)C ZINC000996400707 702757195 /nfs/dbraw/zinc/75/71/95/702757195.db2.gz GWXJJEKLAUIAAD-MRXNPFEDSA-N 2 0 335.496 1.541 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000996465576 702792725 /nfs/dbraw/zinc/79/27/25/702792725.db2.gz WNLUPDOFCVOZMQ-QGZVFWFLSA-N 2 0 348.495 1.251 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996503455 702825123 /nfs/dbraw/zinc/82/51/23/702825123.db2.gz YYXXCJPPQWNFKO-UKRRQHHQSA-N 2 0 349.504 1.493 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccccn3)C(C)(C)C2)C1 ZINC000996516510 702851705 /nfs/dbraw/zinc/85/17/05/702851705.db2.gz AMVGFQYPVYWIDN-NVXWUHKLSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)nn1C ZINC000996518721 702854048 /nfs/dbraw/zinc/85/40/48/702854048.db2.gz GRDZXPOBUSYPNN-INIZCTEOSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996519051 702854448 /nfs/dbraw/zinc/85/44/48/702854448.db2.gz IHBGRBQECDUBNU-OAHLLOKOSA-N 2 0 332.448 1.405 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000996519260 702855027 /nfs/dbraw/zinc/85/50/27/702855027.db2.gz KCZMGNCLIFPSNL-HZPDHXFCSA-N 2 0 335.492 1.335 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@H]1CCCO1 ZINC000996519769 702855845 /nfs/dbraw/zinc/85/58/45/702855845.db2.gz LCMKMUXGCMKRFM-HZPDHXFCSA-N 2 0 335.492 1.478 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996606982 702910325 /nfs/dbraw/zinc/91/03/25/702910325.db2.gz BRTLSERMXWTTAK-RHSMWYFYSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996607660 702911154 /nfs/dbraw/zinc/91/11/54/702911154.db2.gz DJVOSJSCSMNKBK-IRXDYDNUSA-N 2 0 330.476 1.668 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CCc1ccns1 ZINC000996614084 702919356 /nfs/dbraw/zinc/91/93/56/702919356.db2.gz YPMZOFQRFFODGG-HNNXBMFYSA-N 2 0 336.505 1.608 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996614358 702919607 /nfs/dbraw/zinc/91/96/07/702919607.db2.gz MTEHMACTSRFTJY-WMLDXEAASA-N 2 0 346.475 1.369 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614413 702919653 /nfs/dbraw/zinc/91/96/53/702919653.db2.gz NERPOMVAJPRVHL-ZBFHGGJFSA-N 2 0 334.439 1.499 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942446009 702941854 /nfs/dbraw/zinc/94/18/54/702941854.db2.gz ZOMBRGJUAPBURN-ZBFHGGJFSA-N 2 0 343.431 1.354 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000996658915 702945405 /nfs/dbraw/zinc/94/54/05/702945405.db2.gz DKFPAOWINBPLFU-INIZCTEOSA-N 2 0 335.452 1.333 20 0 EDADRP COc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@@H+]2C)ccc1C ZINC001032315747 702980583 /nfs/dbraw/zinc/98/05/83/702980583.db2.gz WUSUWECAUGRUIB-OKZBNKHCSA-N 2 0 343.471 1.883 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996725126 703019656 /nfs/dbraw/zinc/01/96/56/703019656.db2.gz SBOBXHVESDGQNM-ZFWWWQNUSA-N 2 0 348.495 1.493 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996726051 703020914 /nfs/dbraw/zinc/02/09/14/703020914.db2.gz VRUIHSUTIONSGK-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H]2CCCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996727342 703022272 /nfs/dbraw/zinc/02/22/72/703022272.db2.gz KDWNCGQDVNVBFF-QGZVFWFLSA-N 2 0 349.519 1.870 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596772 703111307 /nfs/dbraw/zinc/11/13/07/703111307.db2.gz GDKOQWDNOZSNII-WMLDXEAASA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597975 703112753 /nfs/dbraw/zinc/11/27/53/703112753.db2.gz PCNWOWLPICFSQL-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996824056 703114237 /nfs/dbraw/zinc/11/42/37/703114237.db2.gz YILXTSKYHLDNDC-KGXSXCIVSA-N 2 0 347.503 1.620 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H](C[NH2+]CC2CC2)[C@@H](C(F)(F)F)C1 ZINC000996858055 703142317 /nfs/dbraw/zinc/14/23/17/703142317.db2.gz NXYNZOWWUAKSBX-KGLIPLIRSA-N 2 0 333.398 1.719 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042368 703198608 /nfs/dbraw/zinc/19/86/08/703198608.db2.gz BKPPQRDTPAQAGO-AEFFLSMTSA-N 2 0 335.492 1.620 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996995928 703252845 /nfs/dbraw/zinc/25/28/45/703252845.db2.gz UJRILUGKNUYVPH-AWEZNQCLSA-N 2 0 348.495 1.171 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1csnn1 ZINC000996999107 703255933 /nfs/dbraw/zinc/25/59/33/703255933.db2.gz MPDUAEXHMXGQKU-STQMWFEESA-N 2 0 337.493 1.664 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CN(C)CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000996999692 703256639 /nfs/dbraw/zinc/25/66/39/703256639.db2.gz RMEFTQXYNFVUIB-APWZRJJASA-N 2 0 345.487 1.734 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC000997000634 703257703 /nfs/dbraw/zinc/25/77/03/703257703.db2.gz RVOCLVKNDVTOME-INIZCTEOSA-N 2 0 347.507 1.565 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000996996984 703260603 /nfs/dbraw/zinc/26/06/03/703260603.db2.gz BAZNWFPTUIVUAA-AWEZNQCLSA-N 2 0 346.475 1.974 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C)s2)CC1)[NH+](C)C ZINC000997009665 703270448 /nfs/dbraw/zinc/27/04/48/703270448.db2.gz LUGLPRZZFMQBBP-ZDUSSCGKSA-N 2 0 325.482 1.267 20 0 EDADRP C[C@H](CC(=O)N1CCC([NH2+]Cc2nncs2)CC1)n1ccnc1 ZINC000997048704 703297336 /nfs/dbraw/zinc/29/73/36/703297336.db2.gz IUMCJEOWRBUXIL-GFCCVEGCSA-N 2 0 334.449 1.467 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC000997063959 703308935 /nfs/dbraw/zinc/30/89/35/703308935.db2.gz RWSYWMSSRKYGFU-CVEARBPZSA-N 2 0 338.496 1.094 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)nc1 ZINC000997116021 703370166 /nfs/dbraw/zinc/37/01/66/703370166.db2.gz RFYAXQRLIXSZGM-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001032408708 703436127 /nfs/dbraw/zinc/43/61/27/703436127.db2.gz DGVZKIPERNGBMN-KKUMJFAQSA-N 2 0 337.443 1.092 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000997183278 703468595 /nfs/dbraw/zinc/46/85/95/703468595.db2.gz JFZJUBXNDZBHKC-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997180380 703470557 /nfs/dbraw/zinc/47/05/57/703470557.db2.gz QGPQNTOOUKAHFG-UONOGXRCSA-N 2 0 349.479 1.615 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC000997190482 703473061 /nfs/dbraw/zinc/47/30/61/703473061.db2.gz YXGCJUBIGZSRIT-UHFFFAOYSA-N 2 0 334.489 1.628 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997184288 703473139 /nfs/dbraw/zinc/47/31/39/703473139.db2.gz NWPBWERSWIHRQP-HNNXBMFYSA-N 2 0 333.480 1.325 20 0 EDADRP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCF)CC1 ZINC000997229428 703505241 /nfs/dbraw/zinc/50/52/41/703505241.db2.gz VXGRGSDWAWVGJN-GEMJLEDKSA-N 2 0 339.455 1.036 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000997261384 703540152 /nfs/dbraw/zinc/54/01/52/703540152.db2.gz OOZJIBIXDJYXGT-KBAYOESNSA-N 2 0 337.508 1.866 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC000997297902 703556234 /nfs/dbraw/zinc/55/62/34/703556234.db2.gz HCAXWLAGFULCDW-OAHLLOKOSA-N 2 0 332.448 1.123 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C1CC1 ZINC000997306234 703565016 /nfs/dbraw/zinc/56/50/16/703565016.db2.gz ATWVFRCJCLGPKH-UHFFFAOYSA-N 2 0 346.479 1.098 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359191 703589842 /nfs/dbraw/zinc/58/98/42/703589842.db2.gz GNMZUYJPAZCDQG-KBPBESRZSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997361494 703595408 /nfs/dbraw/zinc/59/54/08/703595408.db2.gz VPDNGVXALQIRAL-CHWSQXEVSA-N 2 0 335.452 1.331 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997361161 703598532 /nfs/dbraw/zinc/59/85/32/703598532.db2.gz TWOPSRBILJWTTF-GASCZTMLSA-N 2 0 331.464 1.430 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CCO)CC1 ZINC000997387878 703656663 /nfs/dbraw/zinc/65/66/63/703656663.db2.gz QJWMAGTWDAOPOY-OAHLLOKOSA-N 2 0 337.508 1.317 20 0 EDADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488247 703760719 /nfs/dbraw/zinc/76/07/19/703760719.db2.gz XRARSNGVWNHPMP-XIRDDKMYSA-N 2 0 337.508 1.959 20 0 EDADRP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997616129 703915252 /nfs/dbraw/zinc/91/52/52/703915252.db2.gz YSNWAAOYSUZWBC-CQSZACIVSA-N 2 0 337.493 1.269 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995550972 703955335 /nfs/dbraw/zinc/95/53/35/703955335.db2.gz KXNCXYCTBBDWJT-SJORKVTESA-N 2 0 347.507 1.366 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1 ZINC001032529628 704027809 /nfs/dbraw/zinc/02/78/09/704027809.db2.gz QIPYKHOJXFGHLO-XRGNVEDSSA-N 2 0 345.487 1.325 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033071236 704092050 /nfs/dbraw/zinc/09/20/50/704092050.db2.gz XVGODGUANCUMOI-ZWKOTPCHSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004426542 704411997 /nfs/dbraw/zinc/41/19/97/704411997.db2.gz BQPPHMIFTQLPAN-MSOLQXFVSA-N 2 0 337.508 1.555 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1)C1CC1 ZINC001004455857 704449334 /nfs/dbraw/zinc/44/93/34/704449334.db2.gz BJSRGTKQSNNPQC-DLBZAZTESA-N 2 0 325.472 1.999 20 0 EDADRP Cc1nocc1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000947933701 704564962 /nfs/dbraw/zinc/56/49/62/704564962.db2.gz FJQNCVQREAGQJI-CJNGLKHVSA-N 2 0 332.448 1.548 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997728475 704621299 /nfs/dbraw/zinc/62/12/99/704621299.db2.gz HCUUQEZWIDVHDT-IVSAIRAKSA-N 2 0 325.497 1.314 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)o1 ZINC000997774175 704679030 /nfs/dbraw/zinc/67/90/30/704679030.db2.gz CVYDWPCZYJPRKO-MRXNPFEDSA-N 2 0 349.479 1.579 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC000997777430 704683880 /nfs/dbraw/zinc/68/38/80/704683880.db2.gz UOVWLYHSRYZSRK-MRXNPFEDSA-N 2 0 348.495 1.314 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC000997793521 704699005 /nfs/dbraw/zinc/69/90/05/704699005.db2.gz QKAQUYSXMITTJP-ZWKOTPCHSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000997823288 704744639 /nfs/dbraw/zinc/74/46/39/704744639.db2.gz JJUOFBSBDHUOCN-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997829847 704748464 /nfs/dbraw/zinc/74/84/64/704748464.db2.gz DFVIZEBRZKUVFY-GOSISDBHSA-N 2 0 348.491 1.960 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997864591 704771510 /nfs/dbraw/zinc/77/15/10/704771510.db2.gz KTOKVUARKGLSJG-KRWDZBQOSA-N 2 0 333.480 1.233 20 0 EDADRP CCn1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997866784 704773391 /nfs/dbraw/zinc/77/33/91/704773391.db2.gz UOPQLDXKGQHXAL-QGZVFWFLSA-N 2 0 348.495 1.111 20 0 EDADRP CCn1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000998081214 705300934 /nfs/dbraw/zinc/30/09/34/705300934.db2.gz GWVFBPABLZKCSG-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC000998082462 705309141 /nfs/dbraw/zinc/30/91/41/705309141.db2.gz PPUWEHYPWCHSGB-FUHWJXTLSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082558 705310106 /nfs/dbraw/zinc/31/01/06/705310106.db2.gz QSERIENWVRWZJV-MAUKXSAKSA-N 2 0 330.476 1.608 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CC[C@H]3CCCCO3)C2)CC1 ZINC001015898516 705420991 /nfs/dbraw/zinc/42/09/91/705420991.db2.gz FRJDRPNOWHVAIZ-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998215678 705536960 /nfs/dbraw/zinc/53/69/60/705536960.db2.gz DNMBHAMRKGDNHY-INIZCTEOSA-N 2 0 333.480 1.090 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C12CC[NH+](CC1)C2 ZINC000998221184 705545698 /nfs/dbraw/zinc/54/56/98/705545698.db2.gz DHLLBFFNLKKMII-KRWDZBQOSA-N 2 0 335.492 1.337 20 0 EDADRP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000998268015 705639487 /nfs/dbraw/zinc/63/94/87/705639487.db2.gz CPZPUSPSJAZDJA-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267263 705641307 /nfs/dbraw/zinc/64/13/07/705641307.db2.gz VMEWSCCHXCIANZ-GOEBONIOSA-N 2 0 334.464 1.824 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1)C1CCC1 ZINC000998270836 705650082 /nfs/dbraw/zinc/65/00/82/705650082.db2.gz VMDZJTWYIDJCOZ-OLZOCXBDSA-N 2 0 339.377 1.809 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)o1 ZINC000998286890 705676550 /nfs/dbraw/zinc/67/65/50/705676550.db2.gz MHGJJOYVPLNVQM-ZIAGYGMSSA-N 2 0 349.479 1.579 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000998286189 705682016 /nfs/dbraw/zinc/68/20/16/705682016.db2.gz HYWIFDYLVLHJDX-MRXNPFEDSA-N 2 0 348.495 1.018 20 0 EDADRP O=C(N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC000998299442 705703660 /nfs/dbraw/zinc/70/36/60/705703660.db2.gz COFBTYQZGDHWKL-UONOGXRCSA-N 2 0 345.409 1.861 20 0 EDADRP COC[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629693 705753836 /nfs/dbraw/zinc/75/38/36/705753836.db2.gz IZCHLTTXNFTQKD-MNEFBYGVSA-N 2 0 345.487 1.724 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998552118 705982913 /nfs/dbraw/zinc/98/29/13/705982913.db2.gz SKUBLMFMUQRSIO-IMRCBTMISA-N 2 0 331.464 1.003 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1C ZINC000998548438 705983999 /nfs/dbraw/zinc/98/39/99/705983999.db2.gz IKTUSOSISVUPTP-NRXISQOPSA-N 2 0 348.495 1.112 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998762342 706199938 /nfs/dbraw/zinc/19/99/38/706199938.db2.gz BGCQBTNZNATCET-PREGVCBESA-N 2 0 333.480 1.372 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000998762803 706200864 /nfs/dbraw/zinc/20/08/64/706200864.db2.gz HISNLTKWJMUESV-JCYILVPMSA-N 2 0 347.507 1.855 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780255 706221096 /nfs/dbraw/zinc/22/10/96/706221096.db2.gz LHCIEUOJGKKHNE-JCYILVPMSA-N 2 0 345.491 1.324 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998866443 706296031 /nfs/dbraw/zinc/29/60/31/706296031.db2.gz JHZKWLUMKSUULF-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)o2)C1 ZINC000998867940 706297524 /nfs/dbraw/zinc/29/75/24/706297524.db2.gz SXPPYNWKGFSBMQ-VMBOVVBDSA-N 2 0 334.464 1.936 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000998901600 706338593 /nfs/dbraw/zinc/33/85/93/706338593.db2.gz OUKDOFWSGCCREG-WIHSUSGWSA-N 2 0 348.495 1.157 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000998979172 706410246 /nfs/dbraw/zinc/41/02/46/706410246.db2.gz FRWLXDJKVDAUPQ-UHFFFAOYSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)o1 ZINC000998994052 706411338 /nfs/dbraw/zinc/41/13/38/706411338.db2.gz KAHSZGBZVPXTOR-UYSNPLJNSA-N 2 0 334.464 1.855 20 0 EDADRP Cc1nnc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)o1 ZINC000946518057 706567883 /nfs/dbraw/zinc/56/78/83/706567883.db2.gz NFGVRJCOKGLHRJ-XHSDSOJGSA-N 2 0 347.463 1.143 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1cnccn1 ZINC000999346970 706858483 /nfs/dbraw/zinc/85/84/83/706858483.db2.gz HKVIGDJYRSFUIL-GJZGRUSLSA-N 2 0 331.464 1.603 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999353202 706866272 /nfs/dbraw/zinc/86/62/72/706866272.db2.gz LNQASMXXVXXXED-IRXDYDNUSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379537 706873576 /nfs/dbraw/zinc/87/35/76/706873576.db2.gz ZFQYGABJQTXLLZ-DOTOQJQBSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999371960 706886094 /nfs/dbraw/zinc/88/60/94/706886094.db2.gz NQNFLDKBAJYTAP-GDBMZVCRSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)ncn1 ZINC000999401616 706909117 /nfs/dbraw/zinc/90/91/17/706909117.db2.gz PFYNTQHZNZNSMA-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999407293 706916672 /nfs/dbraw/zinc/91/66/72/706916672.db2.gz TZKPJZIMBFMVTG-OOHWJJMZSA-N 2 0 333.480 1.026 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)sn1 ZINC000999408632 706918566 /nfs/dbraw/zinc/91/85/66/706918566.db2.gz MJPUMRCIIYACLZ-GRTSSRMGSA-N 2 0 336.505 1.872 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1)[NH+](C)C ZINC000999488273 707024187 /nfs/dbraw/zinc/02/41/87/707024187.db2.gz DMQVKXVMYMPQDX-RHSMWYFYSA-N 2 0 333.480 1.250 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999491727 707027966 /nfs/dbraw/zinc/02/79/66/707027966.db2.gz WWWOPCDFZICWDE-QGZVFWFLSA-N 2 0 346.475 1.940 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000999572325 707078339 /nfs/dbraw/zinc/07/83/39/707078339.db2.gz CQWUVMAJYGASPX-FUHWJXTLSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999598548 707101367 /nfs/dbraw/zinc/10/13/67/707101367.db2.gz VJWVVWGRYOEQGQ-OAHLLOKOSA-N 2 0 331.464 1.129 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921685632 707155418 /nfs/dbraw/zinc/15/54/18/707155418.db2.gz JFFXGFQXQZVKAI-AWEZNQCLSA-N 2 0 332.448 1.897 20 0 EDADRP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999680833 707165440 /nfs/dbraw/zinc/16/54/40/707165440.db2.gz ASSVOFGIOVVPGD-FAEJEUNOSA-N 2 0 330.476 1.811 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC[C@@H]2C1 ZINC000946779036 707235986 /nfs/dbraw/zinc/23/59/86/707235986.db2.gz DPBSOEDSFHSIRD-XDNAFOTISA-N 2 0 337.508 1.534 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033264847 707286877 /nfs/dbraw/zinc/28/68/77/707286877.db2.gz DOJGKUZPYIAWQG-CVEARBPZSA-N 2 0 334.464 1.539 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CC[C@@H]2C1 ZINC000946735114 707298102 /nfs/dbraw/zinc/29/81/02/707298102.db2.gz GRPODFUTRBZOSO-FLXSYLCISA-N 2 0 337.508 1.268 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999709544 707302591 /nfs/dbraw/zinc/30/25/91/707302591.db2.gz VUVBCAQLAVHUOF-HNNXBMFYSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000999709889 707303035 /nfs/dbraw/zinc/30/30/35/707303035.db2.gz QUHXGHMRLABGCP-QQFBHYJXSA-N 2 0 343.475 1.521 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1)[NH+](C)C ZINC000946784400 707308912 /nfs/dbraw/zinc/30/89/12/707308912.db2.gz JGNOEWPRRZORSF-NCOADZHNSA-N 2 0 325.497 1.532 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999792165 707363166 /nfs/dbraw/zinc/36/31/66/707363166.db2.gz MVDIFKQYWDSSOM-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297728 707434029 /nfs/dbraw/zinc/43/40/29/707434029.db2.gz SLEFCWTYTABMOE-KRWDZBQOSA-N 2 0 333.476 1.583 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000999833692 707465533 /nfs/dbraw/zinc/46/55/33/707465533.db2.gz BTQIPICRESLGKC-JQRITLKVSA-N 2 0 337.414 1.996 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CC[C@@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000999876334 707523108 /nfs/dbraw/zinc/52/31/08/707523108.db2.gz LIWNLJFKUJLVNX-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999910305 707552598 /nfs/dbraw/zinc/55/25/98/707552598.db2.gz USOVPUZSUWJMBN-RCCFBDPRSA-N 2 0 331.460 1.395 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004879951 707553846 /nfs/dbraw/zinc/55/38/46/707553846.db2.gz TWWYXHKXIKRNRT-QAPCUYQASA-N 2 0 347.507 1.764 20 0 EDADRP CC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992792 707669781 /nfs/dbraw/zinc/66/97/81/707669781.db2.gz QJCVVXLAMIQIOQ-DOTOQJQBSA-N 2 0 348.495 1.139 20 0 EDADRP C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004928551 707674540 /nfs/dbraw/zinc/67/45/40/707674540.db2.gz PZMSLKGXGUWLOP-WBVHZDCISA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC[C@H](NCc3cnsn3)C2)CC[N@@H+]1C ZINC001000022207 707688773 /nfs/dbraw/zinc/68/87/73/707688773.db2.gz XQKXAYDBVPERCR-IHRRRGAJSA-N 2 0 337.493 1.349 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1)C12CC[NH+](CC1)C2 ZINC001032734031 707743247 /nfs/dbraw/zinc/74/32/47/707743247.db2.gz SRKQPANVJXUREJ-KBPBESRZSA-N 2 0 325.403 1.413 20 0 EDADRP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001033417882 707801190 /nfs/dbraw/zinc/80/11/90/707801190.db2.gz BBKBADAOZWGUIF-YJBOKZPZSA-N 2 0 330.476 1.765 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004980672 707823326 /nfs/dbraw/zinc/82/33/26/707823326.db2.gz LBNIFMWJPPGKBF-NVXWUHKLSA-N 2 0 345.491 1.375 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001000195666 707833712 /nfs/dbraw/zinc/83/37/12/707833712.db2.gz ZDDKXISRDIRDNW-WBVHZDCISA-N 2 0 346.475 1.513 20 0 EDADRP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004988190 707844870 /nfs/dbraw/zinc/84/48/70/707844870.db2.gz APHFZYYVNINISB-PBHICJAKSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004988192 707844979 /nfs/dbraw/zinc/84/49/79/707844979.db2.gz APHFZYYVNINISB-WMLDXEAASA-N 2 0 334.464 1.938 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCOc2ccc(F)cc2)C1 ZINC001032780992 707965802 /nfs/dbraw/zinc/96/58/02/707965802.db2.gz GIJBRHJPJRLBJG-XIRDDKMYSA-N 2 0 347.434 1.441 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032781033 707966126 /nfs/dbraw/zinc/96/61/26/707966126.db2.gz HOBKOBATJABTSR-IKGGRYGDSA-N 2 0 333.501 1.918 20 0 EDADRP COc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001032781144 707968143 /nfs/dbraw/zinc/96/81/43/707968143.db2.gz KMFWOENNEXASHL-SQNIBIBYSA-N 2 0 343.471 1.475 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@H]2CC[N@H+](CC3CCOCC3)C2)CC1 ZINC001033530875 708153356 /nfs/dbraw/zinc/15/33/56/708153356.db2.gz HKEMFXPIQQOXFO-SFHVURJKSA-N 2 0 337.508 1.678 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001758281 708282199 /nfs/dbraw/zinc/28/21/99/708282199.db2.gz BAGSUCLMHMILCS-ZOBUZTSGSA-N 2 0 325.497 1.580 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033592366 708290699 /nfs/dbraw/zinc/29/06/99/708290699.db2.gz GBBBRJPONNZYDO-HOTGVXAUSA-N 2 0 335.492 1.430 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCc2cccs2)C1 ZINC001033593883 708294519 /nfs/dbraw/zinc/29/45/19/708294519.db2.gz NNVUMAGFCYAFHX-HNNXBMFYSA-N 2 0 333.501 1.919 20 0 EDADRP COCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033659444 708470918 /nfs/dbraw/zinc/47/09/18/708470918.db2.gz XGPVQHPEVXEPPF-LJQANCHMSA-N 2 0 345.487 1.962 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC001002127649 708643792 /nfs/dbraw/zinc/64/37/92/708643792.db2.gz UKAVNYQNPFYMEE-OAHLLOKOSA-N 2 0 336.505 1.731 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+]([C@H](C)COC)CC1 ZINC001002156027 708670985 /nfs/dbraw/zinc/67/09/85/708670985.db2.gz FJLVRBCOAQRZQT-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001033773967 708672666 /nfs/dbraw/zinc/67/26/66/708672666.db2.gz IJDIBFJRVWYRKH-QZTJIDSGSA-N 2 0 347.507 1.463 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033776392 708701771 /nfs/dbraw/zinc/70/17/71/708701771.db2.gz PLLPUGHOWPQFQC-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033776979 708704216 /nfs/dbraw/zinc/70/42/16/708704216.db2.gz RYCPPXQCCXPTKW-HOCLYGCPSA-N 2 0 336.505 1.703 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000921883455 708783403 /nfs/dbraw/zinc/78/34/03/708783403.db2.gz DNPJBBQHCQYFDP-KRWDZBQOSA-N 2 0 346.475 1.147 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001005399499 708886280 /nfs/dbraw/zinc/88/62/80/708886280.db2.gz TZPPKSBGSHLGHN-RBUKOAKNSA-N 2 0 349.519 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033926254 709054801 /nfs/dbraw/zinc/05/48/01/709054801.db2.gz AJXNPRIUWFUSAK-ROUUACIJSA-N 2 0 347.507 1.370 20 0 EDADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034013791 709228430 /nfs/dbraw/zinc/22/84/30/709228430.db2.gz WUYZGDLJVZMSGS-QAPCUYQASA-N 2 0 337.508 1.412 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001034016275 709233069 /nfs/dbraw/zinc/23/30/69/709233069.db2.gz LQDGWOCGHTUYLQ-QGZVFWFLSA-N 2 0 343.475 1.304 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001034039187 709271498 /nfs/dbraw/zinc/27/14/98/709271498.db2.gz GGRJKZNRQFTWRA-OALUTQOASA-N 2 0 345.487 1.553 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005504483 709333987 /nfs/dbraw/zinc/33/39/87/709333987.db2.gz SAQVVQPYVUAUOZ-CRAIPNDOSA-N 2 0 337.508 1.697 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CCC[NH+](CCO)CC2)C1 ZINC000948711022 709372486 /nfs/dbraw/zinc/37/24/86/709372486.db2.gz KHHFAWFYUYJSTF-IAGOWNOFSA-N 2 0 325.497 1.414 20 0 EDADRP CCn1cc(CC[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034130867 709400296 /nfs/dbraw/zinc/40/02/96/709400296.db2.gz LBGGXYPQFRPFMQ-ROUUACIJSA-N 2 0 347.507 1.510 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002792619 709400760 /nfs/dbraw/zinc/40/07/60/709400760.db2.gz RDBJKIWPKQQZQW-GOSISDBHSA-N 2 0 347.507 1.682 20 0 EDADRP Cc1ncccc1C[N@H+]1CCCC[C@@H](NC(=O)[C@@H]2CN(C)CCO2)C1 ZINC001034148218 709419043 /nfs/dbraw/zinc/41/90/43/709419043.db2.gz GSZYEYVHDZLOTB-MSOLQXFVSA-N 2 0 346.475 1.191 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002822979 709432805 /nfs/dbraw/zinc/43/28/05/709432805.db2.gz JOCRFCFUFUBZQV-HZPDHXFCSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](CCOC3CCC3)C2)CC[N@@H+]1C ZINC001034213801 709565708 /nfs/dbraw/zinc/56/57/08/709565708.db2.gz BAHVMIUGIRTHKG-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@@H]1CCCC[N@@H+](CCCO)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001034250347 709612637 /nfs/dbraw/zinc/61/26/37/709612637.db2.gz PVERQHQNEFUNKE-SJLPKXTDSA-N 2 0 337.508 1.747 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034368805 709853580 /nfs/dbraw/zinc/85/35/80/709853580.db2.gz QBXJBBTZBBTDBR-IAGOWNOFSA-N 2 0 325.497 1.462 20 0 EDADRP Cn1nncc1CN1CCCC[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC001034394939 709931698 /nfs/dbraw/zinc/93/16/98/709931698.db2.gz SGDCPVYKGPBWQD-OAHLLOKOSA-N 2 0 348.495 1.018 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2CCc3cncn3C2)CC1 ZINC001003195500 710130838 /nfs/dbraw/zinc/13/08/38/710130838.db2.gz XYQMQRREIUWBBE-AWEZNQCLSA-N 2 0 343.431 1.523 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1)C12CCC[NH+]1CCC2 ZINC001003245172 710169145 /nfs/dbraw/zinc/16/91/45/710169145.db2.gz VUMCEMDXPHOJIP-APWZRJJASA-N 2 0 347.503 1.622 20 0 EDADRP CO[C@@H](C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001034528680 710182407 /nfs/dbraw/zinc/18/24/07/710182407.db2.gz PEXNUNMDGGCSNY-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nonc1CN1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001003309923 710238922 /nfs/dbraw/zinc/23/89/22/710238922.db2.gz HRPINNFZIPDARY-UHFFFAOYSA-N 2 0 340.387 1.420 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC001034606783 710269954 /nfs/dbraw/zinc/26/99/54/710269954.db2.gz CYGOIBIAFYZSTP-JYJNAYRXSA-N 2 0 334.464 1.903 20 0 EDADRP COc1nccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034611195 710285788 /nfs/dbraw/zinc/28/57/88/710285788.db2.gz ISDOCVOUWSQOKT-DZKIICNBSA-N 2 0 347.463 1.096 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034642237 710317771 /nfs/dbraw/zinc/31/77/71/710317771.db2.gz DBERPKTZIVSFEY-KZNAEPCWSA-N 2 0 347.507 1.773 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001034647579 710324332 /nfs/dbraw/zinc/32/43/32/710324332.db2.gz MMJOPERZODZPSM-CCECPURYSA-N 2 0 349.479 1.796 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)n3)CC2)CC[N@@H+]1C ZINC001034649623 710326369 /nfs/dbraw/zinc/32/63/69/710326369.db2.gz NWJJMJXTQNTAGD-NXNVCVFFSA-N 2 0 348.495 1.062 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034656724 710341513 /nfs/dbraw/zinc/34/15/13/710341513.db2.gz CUIQPONEFCYQHN-HDJSIYSDSA-N 2 0 325.478 1.433 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003626287 710455639 /nfs/dbraw/zinc/45/56/39/710455639.db2.gz APXGUAVKLXGRHX-INIZCTEOSA-N 2 0 347.507 1.565 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003627990 710457931 /nfs/dbraw/zinc/45/79/31/710457931.db2.gz LGUVTATXIXLMSD-AWEZNQCLSA-N 2 0 336.505 1.751 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003636111 710463040 /nfs/dbraw/zinc/46/30/40/710463040.db2.gz SNPJUTZQTPWLMF-KBXCAEBGSA-N 2 0 347.507 1.278 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034658754 710587619 /nfs/dbraw/zinc/58/76/19/710587619.db2.gz FBFNBLRFKVTHEK-BZSNNMDCSA-N 2 0 347.507 1.812 20 0 EDADRP Cc1noc([C@@H](C)N2CCC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC001005588562 710622239 /nfs/dbraw/zinc/62/22/39/710622239.db2.gz MCJPKKCOSVGQDA-CZUORRHYSA-N 2 0 349.479 1.846 20 0 EDADRP Cn1cnnc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034703894 710813314 /nfs/dbraw/zinc/81/33/14/710813314.db2.gz FTRNKNNPWKHJPG-SHTZXODSSA-N 2 0 348.495 1.207 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001003892220 710835701 /nfs/dbraw/zinc/83/57/01/710835701.db2.gz IGSXWQLQFFVQGK-HNNXBMFYSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001034716978 710862779 /nfs/dbraw/zinc/86/27/79/710862779.db2.gz UZSZVZZBNQJWRY-TUUVXOQKSA-N 2 0 349.479 1.625 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)C1 ZINC001034733276 710912972 /nfs/dbraw/zinc/91/29/72/710912972.db2.gz AGCRJLCJJDIAHJ-SZMVWBNQSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034738140 710952908 /nfs/dbraw/zinc/95/29/08/710952908.db2.gz QIFWOWXZFQXYSP-MWQQHZPXSA-N 2 0 333.480 1.135 20 0 EDADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)C1CC[NH+](CCCO)CC1 ZINC001005691765 711000935 /nfs/dbraw/zinc/00/09/35/711000935.db2.gz RAIQYBXKYBJZNQ-UHFFFAOYSA-N 2 0 343.431 1.186 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC1 ZINC001034763274 711034840 /nfs/dbraw/zinc/03/48/40/711034840.db2.gz MJYRMBGVVISIFS-QAQDUYKDSA-N 2 0 347.507 1.669 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1)C12CC[NH+](CC1)C2 ZINC001034778295 711079851 /nfs/dbraw/zinc/07/98/51/711079851.db2.gz QOOYFMLRRKIQLH-HDJSIYSDSA-N 2 0 334.489 1.756 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034796048 711115709 /nfs/dbraw/zinc/11/57/09/711115709.db2.gz COAMXFAVAJBIFT-AJNGGQMLSA-N 2 0 335.452 1.459 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC001034793215 711122288 /nfs/dbraw/zinc/12/22/88/711122288.db2.gz SPVZQZAQPBGHOB-XUXIUFHCSA-N 2 0 337.493 1.568 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034793857 711125021 /nfs/dbraw/zinc/12/50/21/711125021.db2.gz SDRMVLCOWXIDFB-BRWVUGGUSA-N 2 0 345.491 1.959 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)Cc2cncn2C)CC1 ZINC001003972141 711125059 /nfs/dbraw/zinc/12/50/59/711125059.db2.gz VDONAEHQCOAMCX-UHFFFAOYSA-N 2 0 327.432 1.447 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034797163 711130579 /nfs/dbraw/zinc/13/05/79/711130579.db2.gz XOZDMQSCHAYRON-ULQDDVLXSA-N 2 0 347.507 1.812 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034797348 711131334 /nfs/dbraw/zinc/13/13/34/711131334.db2.gz XYLZOCFTWSEPLB-KLHDSHLOSA-N 2 0 348.495 1.205 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(CO)cc2)CC1)C12CC[NH+](CC1)C2 ZINC001003974440 711133353 /nfs/dbraw/zinc/13/33/53/711133353.db2.gz KNTGYYJMGJYUQC-UHFFFAOYSA-N 2 0 343.471 1.355 20 0 EDADRP C[C@H](c1cnccn1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003977847 711150788 /nfs/dbraw/zinc/15/07/88/711150788.db2.gz YTAVICUJZOGXDI-CABCVRRESA-N 2 0 331.464 1.460 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034958865 711432823 /nfs/dbraw/zinc/43/28/23/711432823.db2.gz MVUIUFXYLBLUQS-QZTJIDSGSA-N 2 0 347.507 1.764 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@@H]1C(C)C ZINC000922394350 711460573 /nfs/dbraw/zinc/46/05/73/711460573.db2.gz VOARBEKYTLLVBZ-XSYGEPLQSA-N 2 0 345.487 1.745 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001004147922 711560254 /nfs/dbraw/zinc/56/02/54/711560254.db2.gz OAYNWZGVTCLGBN-CQSZACIVSA-N 2 0 331.407 1.087 20 0 EDADRP Cc1cccc(OCC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001004150798 711566692 /nfs/dbraw/zinc/56/66/92/711566692.db2.gz UHMTYNUGPFJLCS-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1)C1CC1 ZINC000946623887 711925458 /nfs/dbraw/zinc/92/54/58/711925458.db2.gz RWWALISPCDYLOW-YSHGAJCASA-N 2 0 349.519 1.534 20 0 EDADRP Cc1nc(CN2CC[C@@H](N(C)C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)co1 ZINC001033143721 711953056 /nfs/dbraw/zinc/95/30/56/711953056.db2.gz KKVQJKWTYUHRJB-FUHWJXTLSA-N 2 0 348.491 1.994 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144434 711979563 /nfs/dbraw/zinc/97/95/63/711979563.db2.gz XGJYUNHIUCPHFL-MSOLQXFVSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCCO)C[C@H]2CC1)[NH+](C)C ZINC000946633223 712055460 /nfs/dbraw/zinc/05/54/60/712055460.db2.gz NQEYJADETFVPLZ-BBWFWOEESA-N 2 0 325.497 1.125 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccn(C)n2)C1 ZINC001033151118 712117473 /nfs/dbraw/zinc/11/74/73/712117473.db2.gz IIMSTANHVSQLPT-QZTJIDSGSA-N 2 0 347.507 1.716 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000370536397 712330734 /nfs/dbraw/zinc/33/07/34/712330734.db2.gz SFJOAZQTHWQKFA-QZTJIDSGSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000557594742 306230364 /nfs/dbraw/zinc/23/03/64/306230364.db2.gz AKBSZKKIIVKJBH-IEBWSBKVSA-N 2 0 344.503 1.261 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2c(c1)OCO2 ZINC000057157315 214407932 /nfs/dbraw/zinc/40/79/32/214407932.db2.gz MOVAWGPZYNFZCL-UHFFFAOYSA-N 2 0 335.448 1.761 20 0 EDADRP CN(CC[NH+]1CCCC1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000158541933 282238132 /nfs/dbraw/zinc/23/81/32/282238132.db2.gz VDFFCQUWNPUPRL-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333232559 539626193 /nfs/dbraw/zinc/62/61/93/539626193.db2.gz CIFVYIRIIKTAHP-QBYUYEEZSA-N 2 0 333.480 1.307 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCS(=O)(=O)C2)(N2CCCCC2)CC1 ZINC000183037476 282695816 /nfs/dbraw/zinc/69/58/16/282695816.db2.gz PZXWWLUVGGSSAN-MRXNPFEDSA-N 2 0 343.537 1.104 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562794262 306309264 /nfs/dbraw/zinc/30/92/64/306309264.db2.gz DQVRXTHGCPDOJU-AEFFLSMTSA-N 2 0 330.476 1.950 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000562795733 306309454 /nfs/dbraw/zinc/30/94/54/306309454.db2.gz SHNZUEPXOIHTDB-NVXWUHKLSA-N 2 0 332.448 1.575 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000563001092 306315321 /nfs/dbraw/zinc/31/53/21/306315321.db2.gz ZUHBIKMCEKCPKI-HNNXBMFYSA-N 2 0 329.847 1.220 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cc3ccccc3s2)CC1 ZINC000563001683 306315579 /nfs/dbraw/zinc/31/55/79/306315579.db2.gz YQALSADYVWWARJ-MRXNPFEDSA-N 2 0 333.501 1.642 20 0 EDADRP C[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000563321651 306327350 /nfs/dbraw/zinc/32/73/50/306327350.db2.gz LHPKZQYKWBCGOP-MAUKXSAKSA-N 2 0 330.476 1.875 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000563545730 306338343 /nfs/dbraw/zinc/33/83/43/306338343.db2.gz XNUJMXPUHRPLGG-PIIMJCKOSA-N 2 0 328.460 1.476 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079253939 138260996 /nfs/dbraw/zinc/26/09/96/138260996.db2.gz XAHHCKAPILNJNG-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563586531 306340195 /nfs/dbraw/zinc/34/01/95/306340195.db2.gz QCIZBDLBJRZLIR-HZPDHXFCSA-N 2 0 326.485 1.175 20 0 EDADRP CC(C)c1nc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)no1 ZINC000119529120 138314359 /nfs/dbraw/zinc/31/43/59/138314359.db2.gz GSLXDMVQZHMBOO-XYPWUTKMSA-N 2 0 333.480 1.936 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)[C@H](C)[NH3+] ZINC000563881185 306351323 /nfs/dbraw/zinc/35/13/23/306351323.db2.gz LIGRSZMJYVBOBI-YJBOKZPZSA-N 2 0 348.491 1.529 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000333137066 291138145 /nfs/dbraw/zinc/13/81/45/291138145.db2.gz CNHWULHPDLEUKC-SOEBMCCKSA-N 2 0 349.523 1.127 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCOc3cc(F)ccc32)CC1 ZINC000564076976 306355134 /nfs/dbraw/zinc/35/51/34/306355134.db2.gz VQAGOSPARBLRSL-RDJZCZTQSA-N 2 0 337.439 1.237 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCO1 ZINC000162315733 138645534 /nfs/dbraw/zinc/64/55/34/138645534.db2.gz BJZJGEOQZYILHC-BZSNNMDCSA-N 2 0 333.476 1.953 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2nc(C(C)(C)C)cs2)CC1 ZINC000564721716 306363490 /nfs/dbraw/zinc/36/34/90/306363490.db2.gz CPKCVZVCIRPVHH-CQSZACIVSA-N 2 0 340.537 1.181 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947673 306370999 /nfs/dbraw/zinc/37/09/99/306370999.db2.gz WNAGDZXLNZDNJA-FRQCXROJSA-N 2 0 346.475 1.210 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000565256119 306379702 /nfs/dbraw/zinc/37/97/02/306379702.db2.gz WOCFEORKXALDLU-DAYGRLMNSA-N 2 0 346.475 1.457 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)nn1C ZINC000414333917 304107578 /nfs/dbraw/zinc/10/75/78/304107578.db2.gz WSJUJDGQTSJZQC-UHFFFAOYSA-N 2 0 343.479 1.211 20 0 EDADRP COC(=O)C1CCC([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414963163 283751420 /nfs/dbraw/zinc/75/14/20/283751420.db2.gz CSOSJGWUKPCQAR-WXRRBKDZSA-N 2 0 337.386 1.144 20 0 EDADRP Cn1cc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccc(F)cc21 ZINC000566130696 306399317 /nfs/dbraw/zinc/39/93/17/306399317.db2.gz QRZWFIDOZUQLFY-KRWDZBQOSA-N 2 0 348.466 1.058 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000566190891 306402778 /nfs/dbraw/zinc/40/27/78/306402778.db2.gz ULTFVYZSYLHQNW-YOEHRIQHSA-N 2 0 332.448 1.102 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000566190889 306402807 /nfs/dbraw/zinc/40/28/07/306402807.db2.gz ULTFVYZSYLHQNW-WMLDXEAASA-N 2 0 332.448 1.102 20 0 EDADRP COC1CC([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)C1 ZINC000414553163 304122217 /nfs/dbraw/zinc/12/22/17/304122217.db2.gz ICBMZPSMPNPLPW-UHFFFAOYSA-N 2 0 331.460 1.651 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000414693663 304128500 /nfs/dbraw/zinc/12/85/00/304128500.db2.gz FDBBPMJBDZRBCA-DLBZAZTESA-N 2 0 344.459 1.478 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699109 304129174 /nfs/dbraw/zinc/12/91/74/304129174.db2.gz RRGDXXLPJPCXFM-GOEBONIOSA-N 2 0 345.443 1.750 20 0 EDADRP CCC1CCC([N@H+](CCO)C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414739942 304135283 /nfs/dbraw/zinc/13/52/83/304135283.db2.gz CLSOEJVABSNHRH-AQFXKWCLSA-N 2 0 325.497 1.447 20 0 EDADRP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750092 304136948 /nfs/dbraw/zinc/13/69/48/304136948.db2.gz ZIVOCFIGXYTDME-MSOLQXFVSA-N 2 0 344.503 1.785 20 0 EDADRP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414782550 304139926 /nfs/dbraw/zinc/13/99/26/304139926.db2.gz PFWIJPRIXBSAEO-OAHLLOKOSA-N 2 0 334.464 1.297 20 0 EDADRP CCOc1cc(CN[C@H](C[NH3+])C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414802453 304142702 /nfs/dbraw/zinc/14/27/02/304142702.db2.gz MWKYRFNURSMCKF-XJKSGUPXSA-N 2 0 349.475 1.768 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC2CC[NH+](C)CC2)c1 ZINC000414805009 304143028 /nfs/dbraw/zinc/14/30/28/304143028.db2.gz GCCNOZQNSICLFN-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000566619741 306422140 /nfs/dbraw/zinc/42/21/40/306422140.db2.gz OWBITYRJOPLPAJ-HNNXBMFYSA-N 2 0 340.418 1.541 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@H](c1ccccc1)N1CCOCC1 ZINC000447594953 296126023 /nfs/dbraw/zinc/12/60/23/296126023.db2.gz JUEUTJQLZRIWJP-IEBWSBKVSA-N 2 0 335.492 1.616 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]CC[C@H]2CC[NH2+]C2)cc1OC ZINC000414831794 304145455 /nfs/dbraw/zinc/14/54/55/304145455.db2.gz NWULZTTYHBMTAQ-CQSZACIVSA-N 2 0 335.448 1.299 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000414849503 304147471 /nfs/dbraw/zinc/14/74/71/304147471.db2.gz HDVFFXLRZGFVKE-GASCZTMLSA-N 2 0 346.475 1.724 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[NH+](C2CCCCC2)CC1 ZINC000418753931 284125087 /nfs/dbraw/zinc/12/50/87/284125087.db2.gz HRLGZQKTRFTSPM-CQSZACIVSA-N 2 0 330.423 1.644 20 0 EDADRP CCOc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000414991015 304148864 /nfs/dbraw/zinc/14/88/64/304148864.db2.gz PVSUAFPNLIBXEP-MJGOQNOKSA-N 2 0 331.460 1.822 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000415048196 304154244 /nfs/dbraw/zinc/15/42/44/304154244.db2.gz WYEJPMOKOOOVKH-UKRRQHHQSA-N 2 0 332.448 1.334 20 0 EDADRP CCOc1c(Br)cc(CN(C)C[C@H](O)C[NH3+])cc1OC ZINC000415054189 304154980 /nfs/dbraw/zinc/15/49/80/304154980.db2.gz LFLDBGBYMZBMRV-LLVKDONJSA-N 2 0 347.253 1.608 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000424139678 296166445 /nfs/dbraw/zinc/16/64/45/296166445.db2.gz DSHOKBHEUOLVOP-ZBFHGGJFSA-N 2 0 331.464 1.481 20 0 EDADRP [NH3+]CC1(O)CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000415135122 304163055 /nfs/dbraw/zinc/16/30/55/304163055.db2.gz AINZIAMNHZUSKK-UHFFFAOYSA-N 2 0 327.428 1.946 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195247479 139011398 /nfs/dbraw/zinc/01/13/98/139011398.db2.gz YCHSHFDLKYKYDI-ZACQAIPSSA-N 2 0 331.435 1.716 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236923276 139035261 /nfs/dbraw/zinc/03/52/61/139035261.db2.gz WSVDVLQCUSOPMT-QRQLOZEOSA-N 2 0 346.519 1.855 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)[NH+](C)C)c1 ZINC000237306806 139047355 /nfs/dbraw/zinc/04/73/55/139047355.db2.gz ZXMQCURMISGUFQ-DLBZAZTESA-N 2 0 335.448 1.183 20 0 EDADRP C[C@@H](CCNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@H+](C)Cc1ccccc1 ZINC000237559975 139054077 /nfs/dbraw/zinc/05/40/77/139054077.db2.gz VUTKWFXUWBEWFX-WMZOPIPTSA-N 2 0 333.476 1.782 20 0 EDADRP C[C@]1(C(=O)NCc2ccccc2CN2CCOCC2)CCC[NH2+]C1 ZINC000237568159 139054362 /nfs/dbraw/zinc/05/43/62/139054362.db2.gz IKTVACGDUZJOAY-IBGZPJMESA-N 2 0 331.460 1.525 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000238018818 139066694 /nfs/dbraw/zinc/06/66/94/139066694.db2.gz DWXCCMXOIQSYQQ-SFHVURJKSA-N 2 0 330.476 1.457 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000238068622 139068128 /nfs/dbraw/zinc/06/81/28/139068128.db2.gz PETICPCSQAPQSB-IBGZPJMESA-N 2 0 345.487 1.660 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000415281673 304184621 /nfs/dbraw/zinc/18/46/21/304184621.db2.gz LDPYLFPVPJPFPS-OAHLLOKOSA-N 2 0 346.475 1.187 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000415305589 304189906 /nfs/dbraw/zinc/18/99/06/304189906.db2.gz WRIIWTSZRGBHEK-QGZVFWFLSA-N 2 0 346.475 1.676 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000415318082 304193409 /nfs/dbraw/zinc/19/34/09/304193409.db2.gz QFZUMUWPDWLPNV-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC(=O)NCC(F)(F)F ZINC000247051497 139133295 /nfs/dbraw/zinc/13/32/95/139133295.db2.gz OWUJPIVUCLLZEE-GXTWGEPZSA-N 2 0 344.381 1.560 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000455661070 284595719 /nfs/dbraw/zinc/59/57/19/284595719.db2.gz PVDGBBBLMFOLRS-UHFFFAOYSA-N 3 0 338.540 1.546 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000415352627 304201376 /nfs/dbraw/zinc/20/13/76/304201376.db2.gz BOLRBWSNNHZXKC-INIZCTEOSA-N 2 0 344.459 1.418 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000568512800 306483407 /nfs/dbraw/zinc/48/34/07/306483407.db2.gz LKRPJYVKOYDOQK-PKOBYXMFSA-N 2 0 336.524 1.380 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248325018 139160223 /nfs/dbraw/zinc/16/02/23/139160223.db2.gz AZPCIKIIQHFXOC-AYBZRNKSSA-N 2 0 331.460 1.222 20 0 EDADRP C[C@@H](CS(C)(=O)=O)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000248456127 139164760 /nfs/dbraw/zinc/16/47/60/139164760.db2.gz RZSGPZDGQZDSPA-YOEHRIQHSA-N 2 0 340.489 1.166 20 0 EDADRP C[C@H](CCNC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1)[NH+]1CCCCC1 ZINC000248623821 139168906 /nfs/dbraw/zinc/16/89/06/139168906.db2.gz NPEFKXHARCWKFL-IKGGRYGDSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000416883152 284736132 /nfs/dbraw/zinc/73/61/32/284736132.db2.gz IVTIGXCRAQVOGU-QGZVFWFLSA-N 2 0 334.464 1.398 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000248814424 139176232 /nfs/dbraw/zinc/17/62/32/139176232.db2.gz CTJYGZBEDSHYMW-RDJZCZTQSA-N 2 0 341.521 1.361 20 0 EDADRP CNc1cc(N2CCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ncn1 ZINC000249042505 139183790 /nfs/dbraw/zinc/18/37/90/139183790.db2.gz VFZHWTJJBKZBCN-UYTSQGDYSA-N 2 0 330.480 1.702 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)[nH+]1 ZINC000249863954 139199434 /nfs/dbraw/zinc/19/94/34/139199434.db2.gz HCDREKWMVOZUJD-ZACQAIPSSA-N 2 0 346.475 1.760 20 0 EDADRP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261627872 139212441 /nfs/dbraw/zinc/21/24/41/139212441.db2.gz BMKPWMQVZNEPFF-DJIMGWMZSA-N 2 0 344.459 1.450 20 0 EDADRP C[C@@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)N1CCc2sccc2C1 ZINC000261608448 139210375 /nfs/dbraw/zinc/21/03/75/139210375.db2.gz AXDGQTNFTQRPPJ-BLLLJJGKSA-N 2 0 337.489 1.365 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000261613110 139211143 /nfs/dbraw/zinc/21/11/43/139211143.db2.gz FBCVGSBABUIVDR-JTDSTZFVSA-N 2 0 337.508 1.850 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261641664 139213639 /nfs/dbraw/zinc/21/36/39/139213639.db2.gz CRWCBCGJFUKHPQ-SJLPKXTDSA-N 2 0 333.476 1.661 20 0 EDADRP COCC1(CNC(=O)[C@@H](C)N2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000261648913 139214206 /nfs/dbraw/zinc/21/42/06/139214206.db2.gz CYWNPKWUSLTJMX-MRXNPFEDSA-N 2 0 345.487 1.566 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C[C@H]1c1ccccc1 ZINC000261678546 139216770 /nfs/dbraw/zinc/21/67/70/139216770.db2.gz ICJVJALCHREDRT-AABGKKOBSA-N 2 0 335.451 1.902 20 0 EDADRP [NH3+][C@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261738127 139222125 /nfs/dbraw/zinc/22/21/25/139222125.db2.gz DFALLYXPICBNPO-IBGZPJMESA-N 2 0 345.487 1.769 20 0 EDADRP Cc1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)c(-c2ccnn2C)c1 ZINC000261784048 139225659 /nfs/dbraw/zinc/22/56/59/139225659.db2.gz FRSDPRSRQNYIIR-UHFFFAOYSA-N 2 0 341.459 1.259 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1CCOCC1 ZINC000261774399 139224989 /nfs/dbraw/zinc/22/49/89/139224989.db2.gz MPTZPTVSBDLZRI-ZWKOTPCHSA-N 2 0 331.460 1.694 20 0 EDADRP c1cc(CN2CCOCC2)cc(-c2noc(C[C@@H]3CC[NH2+]C3)n2)c1 ZINC000261776862 139225024 /nfs/dbraw/zinc/22/50/24/139225024.db2.gz NMWNZXBJLJTFSI-AWEZNQCLSA-N 2 0 328.416 1.721 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261851482 139231339 /nfs/dbraw/zinc/23/13/39/139231339.db2.gz QLRRXVKYXUJTKG-YGRLFVJLSA-N 2 0 326.238 1.349 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000261885949 139234179 /nfs/dbraw/zinc/23/41/79/139234179.db2.gz SKTHRDPFTMLVCV-BBWFWOEESA-N 2 0 325.497 1.629 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000415491058 304224864 /nfs/dbraw/zinc/22/48/64/304224864.db2.gz DCALLBHARPXIBP-MRXNPFEDSA-N 2 0 334.464 1.629 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000261979023 139241417 /nfs/dbraw/zinc/24/14/17/139241417.db2.gz RCAGCJCPGFDRHU-ZDUSSCGKSA-N 2 0 325.478 1.496 20 0 EDADRP CCn1ccnc1CN(C(=O)Cn1cccn1)[C@H]1CC12CC[NH2+]CC2 ZINC000262006500 139243296 /nfs/dbraw/zinc/24/32/96/139243296.db2.gz RRXFFDTZJIKPFZ-HNNXBMFYSA-N 2 0 342.447 1.270 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+]C[C@@H](C)C[NH3+] ZINC000414881425 250877251 /nfs/dbraw/zinc/87/72/51/250877251.db2.gz SFPAXHUNYCSOEP-QWHCGFSZSA-N 2 0 332.448 1.937 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000269247947 296314310 /nfs/dbraw/zinc/31/43/10/296314310.db2.gz VWWLYOHBCUDNTN-FHLIZLRMSA-N 2 0 331.460 1.400 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@H]21 ZINC000262188607 139258467 /nfs/dbraw/zinc/25/84/67/139258467.db2.gz JLLIYDSIEQVIEA-UCLAIMLFSA-N 2 0 340.471 1.980 20 0 EDADRP O=C(CC[N@H+]1CCC[C@H](C(=O)c2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000262207253 139259906 /nfs/dbraw/zinc/25/99/06/139259906.db2.gz STDKENHTEKAONQ-INIZCTEOSA-N 2 0 347.434 1.542 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)Nc2ccc(OCC[NH3+])cc2)CC1(C)C ZINC000415951646 251038942 /nfs/dbraw/zinc/03/89/42/251038942.db2.gz ZWVUNUARSANAKZ-UHFFFAOYSA-N 2 0 349.479 1.172 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262304150 139268442 /nfs/dbraw/zinc/26/84/42/139268442.db2.gz RAAJHQPKYLHHDE-RBUKOAKNSA-N 2 0 344.503 1.438 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000416831123 251111475 /nfs/dbraw/zinc/11/14/75/251111475.db2.gz SBMWKIMDDJFQRV-UONOGXRCSA-N 2 0 336.436 1.049 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NCCC[NH+]1CCCCC1 ZINC000416873954 251114908 /nfs/dbraw/zinc/11/49/08/251114908.db2.gz OOHLDBXFOMVPSC-UHFFFAOYSA-N 2 0 333.480 1.737 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000416986703 251119052 /nfs/dbraw/zinc/11/90/52/251119052.db2.gz ZUTNZEXHEKELBA-INIZCTEOSA-N 2 0 330.476 1.697 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000416988590 251119205 /nfs/dbraw/zinc/11/92/05/251119205.db2.gz LKAPHJLDAMFGGZ-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP CC[C@H](CNC(=O)N1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417006466 251129132 /nfs/dbraw/zinc/12/91/32/251129132.db2.gz FZKOVDCPBUBODP-GOSISDBHSA-N 2 0 330.476 1.956 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000417006401 251129313 /nfs/dbraw/zinc/12/93/13/251129313.db2.gz FPMNZRLXWNHPOT-NWDGAFQWSA-N 2 0 332.420 1.647 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)Cc1ccccc1 ZINC000416999196 251125080 /nfs/dbraw/zinc/12/50/80/251125080.db2.gz BQRZIHLEXLAKJS-BDXSIMOUSA-N 2 0 330.476 1.457 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417584064 251197377 /nfs/dbraw/zinc/19/73/77/251197377.db2.gz MWJCUDYAWREIDN-UHFFFAOYSA-N 2 0 340.512 1.837 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000417702365 251233728 /nfs/dbraw/zinc/23/37/28/251233728.db2.gz IRDFUOFKXLGCKC-KRWDZBQOSA-N 2 0 345.491 1.877 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000417669848 251222593 /nfs/dbraw/zinc/22/25/93/251222593.db2.gz NCSNRHASSMSDET-LTIDMASMSA-N 2 0 340.512 1.550 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]([NH3+])c2ccccc2CC)C1(C)C ZINC000417827081 251286032 /nfs/dbraw/zinc/28/60/32/251286032.db2.gz FGMMDQRHGXAHCQ-FRQCXROJSA-N 2 0 333.476 1.898 20 0 EDADRP COCC[C@@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CC[NH2+]C1 ZINC000417828630 251287145 /nfs/dbraw/zinc/28/71/45/251287145.db2.gz FQZCQOBCCJHHEO-INIZCTEOSA-N 2 0 338.477 1.565 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Cc1ccc(F)cc1 ZINC000417832584 251290768 /nfs/dbraw/zinc/29/07/68/251290768.db2.gz TXBNJYINMYDBRX-DOTOQJQBSA-N 2 0 334.439 1.651 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417816750 251283388 /nfs/dbraw/zinc/28/33/88/251283388.db2.gz UXWUXCZXVVLNTF-ICOHUSQQSA-N 2 0 331.464 1.513 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000417991803 251318543 /nfs/dbraw/zinc/31/85/43/251318543.db2.gz LQCLHCHXZJGTQT-ROUUACIJSA-N 2 0 346.475 1.147 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000417854070 251298477 /nfs/dbraw/zinc/29/84/77/251298477.db2.gz SSMNUHOTJLVWBB-QZTJIDSGSA-N 2 0 336.524 1.995 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000418435534 251369912 /nfs/dbraw/zinc/36/99/12/251369912.db2.gz HOPRNBDEMYVSCA-AWEZNQCLSA-N 2 0 326.485 1.399 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418132193 251338918 /nfs/dbraw/zinc/33/89/18/251338918.db2.gz DRHKMRUYFAZKBA-MSOLQXFVSA-N 2 0 330.476 1.948 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccco1 ZINC000418163734 251350211 /nfs/dbraw/zinc/35/02/11/251350211.db2.gz HQCWBDMYBXKVOT-YHUYYLMFSA-N 2 0 334.464 1.960 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000418192898 251353803 /nfs/dbraw/zinc/35/38/03/251353803.db2.gz ZEDHPODBVPPZMJ-HHXXYDBFSA-N 2 0 348.491 1.746 20 0 EDADRP CCCn1cc(CN2CCCN(C(=O)NCCC[NH2+]C)CC2)cn1 ZINC000418305655 251357501 /nfs/dbraw/zinc/35/75/01/251357501.db2.gz IJOKCMIFUPRUSQ-UHFFFAOYSA-N 2 0 336.484 1.120 20 0 EDADRP COc1ccccc1CN1CCN(C(=O)NCCC[NH2+]C2CC2)CC1 ZINC000418305138 251357638 /nfs/dbraw/zinc/35/76/38/251357638.db2.gz XJWLGPFZYWYNFH-UHFFFAOYSA-N 2 0 346.475 1.665 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418385278 251363242 /nfs/dbraw/zinc/36/32/42/251363242.db2.gz PDBWNPDCBLWANS-CQSZACIVSA-N 2 0 326.391 1.400 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418526733 251375819 /nfs/dbraw/zinc/37/58/19/251375819.db2.gz PYRSBUQXPYDFCI-QZTJIDSGSA-N 2 0 330.476 1.759 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418678640 251384881 /nfs/dbraw/zinc/38/48/81/251384881.db2.gz WBYATGRUSGUPFL-WNRNVDISSA-N 2 0 328.460 1.510 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262701675 139297439 /nfs/dbraw/zinc/29/74/39/139297439.db2.gz CKABERUWFMSKLB-BBWFWOEESA-N 2 0 347.507 1.905 20 0 EDADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)Nc1ccccc1 ZINC000420337296 251680710 /nfs/dbraw/zinc/68/07/10/251680710.db2.gz NAQIAGZRCKGMLS-GASCZTMLSA-N 2 0 330.432 1.656 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H]1C ZINC000262778016 139302887 /nfs/dbraw/zinc/30/28/87/139302887.db2.gz LBPQBSGYXKIIAN-HZPDHXFCSA-N 2 0 330.476 1.256 20 0 EDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)c2ccccc21 ZINC000422896402 252015450 /nfs/dbraw/zinc/01/54/50/252015450.db2.gz AAROQXMSHFOJOK-KZNAEPCWSA-N 2 0 333.501 1.929 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000422860492 252003543 /nfs/dbraw/zinc/00/35/43/252003543.db2.gz MORCQORESUMXKE-BBRMVZONSA-N 2 0 326.462 1.447 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@@H](OC)C(F)(F)F)CC[NH2+]CC1 ZINC000423069021 252033600 /nfs/dbraw/zinc/03/36/00/252033600.db2.gz LGHQMGDPSICKNI-NWDGAFQWSA-N 2 0 340.386 1.865 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cn(CCCC[NH3+])nn2)c1 ZINC000423783173 252071912 /nfs/dbraw/zinc/07/19/12/252071912.db2.gz JPVCJUHWZYIYMA-UHFFFAOYSA-N 2 0 330.436 1.639 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000423356618 252052115 /nfs/dbraw/zinc/05/21/15/252052115.db2.gz QXVNDFYFBLHENF-KRWDZBQOSA-N 2 0 333.480 1.659 20 0 EDADRP C[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[NH+]1CCC(C)CC1 ZINC000423357498 252052386 /nfs/dbraw/zinc/05/23/86/252052386.db2.gz MCXPWOKTHCEERK-NVXWUHKLSA-N 2 0 333.480 1.658 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000423357745 252052464 /nfs/dbraw/zinc/05/24/64/252052464.db2.gz ANJGQHSDKJHUAP-OAHLLOKOSA-N 2 0 345.491 1.967 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423356432 252053003 /nfs/dbraw/zinc/05/30/03/252053003.db2.gz GSRFKQQDKTWPBF-ZBFHGGJFSA-N 2 0 342.447 1.192 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H](C[NH3+])C3CCCC3)ccn2)CC1 ZINC000423960676 252108794 /nfs/dbraw/zinc/10/87/94/252108794.db2.gz NIOGPEZHSJIVFQ-INIZCTEOSA-N 2 0 331.464 1.081 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423794193 252077241 /nfs/dbraw/zinc/07/72/41/252077241.db2.gz JJQVAMLQBBFVAL-SFHVURJKSA-N 2 0 325.497 1.855 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424180153 252154940 /nfs/dbraw/zinc/15/49/40/252154940.db2.gz UVJHGIKCCWTYJA-OFQRWUPVSA-N 2 0 331.464 1.005 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228638 252171418 /nfs/dbraw/zinc/17/14/18/252171418.db2.gz XKDXFMOOBXEENE-COXVUDFISA-N 2 0 343.475 1.571 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1cccs1 ZINC000424135288 252137604 /nfs/dbraw/zinc/13/76/04/252137604.db2.gz LWFPTSUTSKGDTO-GXTWGEPZSA-N 2 0 348.476 1.297 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1cccs1 ZINC000424135290 252138122 /nfs/dbraw/zinc/13/81/22/252138122.db2.gz LWFPTSUTSKGDTO-JSGCOSHPSA-N 2 0 348.476 1.297 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000424438003 252232036 /nfs/dbraw/zinc/23/20/36/252232036.db2.gz KFGDEAVAFUMUFH-MRXNPFEDSA-N 2 0 334.464 1.485 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC000426155751 252318053 /nfs/dbraw/zinc/31/80/53/252318053.db2.gz ANBZNMCXQVTQMH-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000263197780 139327880 /nfs/dbraw/zinc/32/78/80/139327880.db2.gz IPZHJXZNCRTGCO-OCCSQVGLSA-N 2 0 340.349 1.561 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263273280 139332469 /nfs/dbraw/zinc/33/24/69/139332469.db2.gz SMPCPRNWRRMDIW-NUJGCVRESA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000263296111 139334057 /nfs/dbraw/zinc/33/40/57/139334057.db2.gz WJXFRZLIPXXNJR-IVMMDQJWSA-N 2 0 339.867 1.247 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC(C)(C)C2)C1 ZINC000112701948 220378555 /nfs/dbraw/zinc/37/85/55/220378555.db2.gz JBDSJMDUYKGIKW-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000112708746 220382855 /nfs/dbraw/zinc/38/28/55/220382855.db2.gz PUDSLMAMNPQLBP-OAHLLOKOSA-N 2 0 346.475 1.996 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000415753766 304265900 /nfs/dbraw/zinc/26/59/00/304265900.db2.gz GUFIGUZYVVRADD-UHFFFAOYSA-N 2 0 336.484 1.818 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1)N1CCOCC1 ZINC000487056441 255024422 /nfs/dbraw/zinc/02/44/22/255024422.db2.gz ITBZZZLCTGHIDU-IAGOWNOFSA-N 2 0 340.512 1.325 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179063 255027812 /nfs/dbraw/zinc/02/78/12/255027812.db2.gz CQDFHWMKDJPVFV-MAUKXSAKSA-N 2 0 330.476 1.965 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](C)COC ZINC000341164488 285244228 /nfs/dbraw/zinc/24/42/28/285244228.db2.gz NHDCLZASKYFMFK-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP CO[C@@H]1CC[N@H+](CCn2ccnc2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000495108300 255269206 /nfs/dbraw/zinc/26/92/06/255269206.db2.gz YZLLHUAHXACALZ-LSDHHAIUSA-N 2 0 338.452 1.887 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[NH+]1C ZINC000341019004 285277720 /nfs/dbraw/zinc/27/77/20/285277720.db2.gz QEOMMEOGRZKPEM-SJORKVTESA-N 3 0 339.528 1.138 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCOC1 ZINC000341134428 285278335 /nfs/dbraw/zinc/27/83/35/285278335.db2.gz UKLOBUHWMNQTCW-WMZOPIPTSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCOC ZINC000341054158 285278439 /nfs/dbraw/zinc/27/84/39/285278439.db2.gz NKKJIWKISQBULK-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340169 285280562 /nfs/dbraw/zinc/28/05/62/285280562.db2.gz MWCXZUBXMKEOHN-IRXDYDNUSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415803777 304275442 /nfs/dbraw/zinc/27/54/42/304275442.db2.gz IQSBZBYUYRJSIE-CABCVRRESA-N 2 0 346.475 1.709 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415887053 304284456 /nfs/dbraw/zinc/28/44/56/304284456.db2.gz WFUPNWDUKGTFBS-KRWDZBQOSA-N 2 0 334.464 1.811 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000271110201 140238718 /nfs/dbraw/zinc/23/87/18/140238718.db2.gz MBBRQCYKULGROE-AEFFLSMTSA-N 2 0 333.476 1.682 20 0 EDADRP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000271744709 140343154 /nfs/dbraw/zinc/34/31/54/140343154.db2.gz QSDWVIOQRFOJAQ-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000272070409 140395957 /nfs/dbraw/zinc/39/59/57/140395957.db2.gz JKIYWQTVIHYZQR-UHFFFAOYSA-N 2 0 346.475 1.688 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(N(C)C)n2)CC[NH2+]CC1 ZINC000423009102 285665190 /nfs/dbraw/zinc/66/51/90/285665190.db2.gz CEIYROGSYMFVOF-AWEZNQCLSA-N 2 0 334.464 1.559 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000332035982 141113742 /nfs/dbraw/zinc/11/37/42/141113742.db2.gz ULOUJDWFSJEPQI-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C[C@@H](C)O ZINC000332289903 141156854 /nfs/dbraw/zinc/15/68/54/141156854.db2.gz STTXPKYVPLPPAS-QBPKDAKJSA-N 2 0 338.496 1.100 20 0 EDADRP Cn1ccnc1[C@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000332999150 141248676 /nfs/dbraw/zinc/24/86/76/141248676.db2.gz ANXZEXIHOAURGL-GOEBONIOSA-N 2 0 331.464 1.936 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)ccc21 ZINC000333140711 141270631 /nfs/dbraw/zinc/27/06/31/141270631.db2.gz KWLVLPAHQHMKOA-PBHICJAKSA-N 2 0 327.432 1.169 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333227707 141284177 /nfs/dbraw/zinc/28/41/77/141284177.db2.gz BGALUMUOXRUGCZ-DAWZGUTISA-N 2 0 336.524 1.617 20 0 EDADRP Cc1cc(NC(=O)N2CCN([C@H]3CC[NH2+]C3)CC2)cn2ccnc12 ZINC000333317640 141298117 /nfs/dbraw/zinc/29/81/17/141298117.db2.gz MNHWKNATNBRHKJ-HNNXBMFYSA-N 2 0 328.420 1.154 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387438 141310036 /nfs/dbraw/zinc/31/00/36/141310036.db2.gz OHRUASSEGWOEQU-IBMWRQOZSA-N 2 0 346.519 1.922 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C[N@@H+]1C1CC1 ZINC000333430188 141316477 /nfs/dbraw/zinc/31/64/77/141316477.db2.gz UKSBAQIBJKYGNA-JFOHDYCDSA-N 2 0 336.480 1.149 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333453374 141319453 /nfs/dbraw/zinc/31/94/53/141319453.db2.gz XUNGLPPXMHTYFA-IIDMSEBBSA-N 2 0 345.491 1.904 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000333676205 141354896 /nfs/dbraw/zinc/35/48/96/141354896.db2.gz YYTWTOXJOAZRAC-IRXDYDNUSA-N 2 0 343.475 1.549 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)cc1 ZINC000333716565 141364303 /nfs/dbraw/zinc/36/43/03/141364303.db2.gz TXBPMCCZIVNEBE-ZCPGHIKRSA-N 2 0 332.448 1.129 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333801683 141384250 /nfs/dbraw/zinc/38/42/50/141384250.db2.gz HVYLTSOGOBZJMV-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000572303256 306585542 /nfs/dbraw/zinc/58/55/42/306585542.db2.gz BDDRMDCKWWBGFJ-GJZGRUSLSA-N 2 0 325.478 1.733 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000333441748 299664052 /nfs/dbraw/zinc/66/40/52/299664052.db2.gz WFLBGMHWCULLAJ-LSDHHAIUSA-N 2 0 331.464 1.610 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)C[C@@H]1CCCCO1 ZINC000337816230 141678079 /nfs/dbraw/zinc/67/80/79/141678079.db2.gz QTZRFJXXCIMPPW-INIZCTEOSA-N 2 0 349.541 1.091 20 0 EDADRP Cc1nc(C)c(F)c(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000339356545 142026223 /nfs/dbraw/zinc/02/62/23/142026223.db2.gz IGYDJZWOSXPYEH-XYPWUTKMSA-N 2 0 333.455 1.980 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851169 142177481 /nfs/dbraw/zinc/17/74/81/142177481.db2.gz TXMQMFJKKWDHAE-IAGOWNOFSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCC[N@@H+]1C ZINC000345013266 143039336 /nfs/dbraw/zinc/03/93/36/143039336.db2.gz QJSOBUQXFPYMIN-GDBMZVCRSA-N 2 0 331.464 1.046 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCCC2)c1 ZINC000345698160 143122904 /nfs/dbraw/zinc/12/29/04/143122904.db2.gz BWWJJCLSDXGZQY-LSDHHAIUSA-N 2 0 341.402 1.931 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000345966763 143152279 /nfs/dbraw/zinc/15/22/79/143152279.db2.gz BWEDFSHXOXDSAN-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000346226963 143180986 /nfs/dbraw/zinc/18/09/86/143180986.db2.gz PPQUXNRHHHRSQY-KRWDZBQOSA-N 2 0 332.492 1.655 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2CCSCC2)[C@H](C)C1 ZINC000346620966 143222984 /nfs/dbraw/zinc/22/29/84/143222984.db2.gz RVAYAVPRDOIWKM-IAGOWNOFSA-N 2 0 329.554 1.762 20 0 EDADRP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346676773 143230348 /nfs/dbraw/zinc/23/03/48/143230348.db2.gz KJQANIGPQIYNPE-GOEBONIOSA-N 2 0 347.459 1.481 20 0 EDADRP Cn1cnc2cc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)ccc21 ZINC000347157020 143288936 /nfs/dbraw/zinc/28/89/36/143288936.db2.gz DYFMZFVMZOHHHY-MRXNPFEDSA-N 2 0 341.459 1.217 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000347160163 143289326 /nfs/dbraw/zinc/28/93/26/143289326.db2.gz GUCNYJNFAUUHBQ-INIZCTEOSA-N 2 0 347.459 1.348 20 0 EDADRP CC[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](CC)CC ZINC000347729859 143355499 /nfs/dbraw/zinc/35/54/99/143355499.db2.gz WZUBPIOBRFXLNE-ICSRJNTNSA-N 2 0 347.503 1.860 20 0 EDADRP CC[NH+](CC)CCSCC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000349031750 143474703 /nfs/dbraw/zinc/47/47/03/143474703.db2.gz VOMVPYIPWBBCPW-CQSZACIVSA-N 2 0 336.505 1.911 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(=O)n3ccccc3n2)C1 ZINC000350359940 143538105 /nfs/dbraw/zinc/53/81/05/143538105.db2.gz AJMGMLSKNYEQQX-KRWDZBQOSA-N 2 0 344.459 1.627 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)[C@H](C)C1 ZINC000417674350 286060585 /nfs/dbraw/zinc/06/05/85/286060585.db2.gz ZBWKMNZDZJQAEK-NCOADZHNSA-N 2 0 340.512 1.515 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000416856045 304352077 /nfs/dbraw/zinc/35/20/77/304352077.db2.gz QRDUAUPGTLSVQF-SJLPKXTDSA-N 2 0 346.475 1.883 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987905 286092977 /nfs/dbraw/zinc/09/29/77/286092977.db2.gz FDMHNPGMGBBNIZ-ROUUACIJSA-N 2 0 335.492 1.573 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000333772915 286093483 /nfs/dbraw/zinc/09/34/83/286093483.db2.gz CILBRQQVIHETEI-LTIDMASMSA-N 2 0 338.496 1.399 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000353104536 149287727 /nfs/dbraw/zinc/28/77/27/149287727.db2.gz CXEVGNITJQVOBC-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416965268 304356695 /nfs/dbraw/zinc/35/66/95/304356695.db2.gz DIKPQVYUPXKJIY-HRCADAONSA-N 2 0 348.491 1.832 20 0 EDADRP CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000416972799 304358068 /nfs/dbraw/zinc/35/80/68/304358068.db2.gz HGHPPIOSGVVROI-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000416977018 304359788 /nfs/dbraw/zinc/35/97/88/304359788.db2.gz PBCIOVSLAJTOJY-HDICACEKSA-N 2 0 342.487 1.820 20 0 EDADRP COCC1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000261565392 292218948 /nfs/dbraw/zinc/21/89/48/292218948.db2.gz YHVGPIBMXZYGHQ-INIZCTEOSA-N 2 0 333.476 1.639 20 0 EDADRP CC[C@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000355206735 150165005 /nfs/dbraw/zinc/16/50/05/150165005.db2.gz QBDIPMJZWLPOLA-LJQANCHMSA-N 2 0 347.503 1.718 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355408146 150257346 /nfs/dbraw/zinc/25/73/46/150257346.db2.gz IIVZRTMKFLATNU-IRXDYDNUSA-N 3 0 326.529 1.591 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000417031063 304363009 /nfs/dbraw/zinc/36/30/09/304363009.db2.gz QGMFPTSBKHLRIT-IRXDYDNUSA-N 2 0 332.448 1.193 20 0 EDADRP CC[C@@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1C[C@H](C)O ZINC000355625995 150341888 /nfs/dbraw/zinc/34/18/88/150341888.db2.gz WJAUTTCDZGEXLD-BBWFWOEESA-N 2 0 325.497 1.555 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000417033335 304363364 /nfs/dbraw/zinc/36/33/64/304363364.db2.gz ZIBLGUKDFGQOAA-KRWDZBQOSA-N 2 0 345.491 1.202 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417045994 304366334 /nfs/dbraw/zinc/36/63/34/304366334.db2.gz YZHCQZLWKVYOIF-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC2)c1 ZINC000417055442 304367261 /nfs/dbraw/zinc/36/72/61/304367261.db2.gz XEFFWKGJFHLYLR-IAGOWNOFSA-N 2 0 347.507 1.542 20 0 EDADRP COCC[NH2+]CC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000357384790 151014385 /nfs/dbraw/zinc/01/43/85/151014385.db2.gz WATVSNJUIXTDCW-UHFFFAOYSA-N 2 0 329.391 1.091 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000357602103 151081914 /nfs/dbraw/zinc/08/19/14/151081914.db2.gz WJNZFMFKIZXHEU-SWLSCSKDSA-N 2 0 348.447 1.077 20 0 EDADRP CSC1(CNC(=O)NC2CC[NH+](C3CC3)CC2)CC[NH+](C)CC1 ZINC000357637494 151095325 /nfs/dbraw/zinc/09/53/25/151095325.db2.gz JLNQWALGQLLGCF-UHFFFAOYSA-N 2 0 340.537 1.740 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357784585 151150932 /nfs/dbraw/zinc/15/09/32/151150932.db2.gz VOJRWOANTSGULT-HNNXBMFYSA-N 2 0 342.553 1.987 20 0 EDADRP CC[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000358048778 151247456 /nfs/dbraw/zinc/24/74/56/151247456.db2.gz QJCZHRVXOIBEGK-ZWKOTPCHSA-N 2 0 333.476 1.883 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C2=CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000358103564 151271164 /nfs/dbraw/zinc/27/11/64/151271164.db2.gz UFFLDOWIJIVQIP-NVXWUHKLSA-N 2 0 338.496 1.389 20 0 EDADRP [NH3+]CCN(CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000358130484 151283158 /nfs/dbraw/zinc/28/31/58/151283158.db2.gz MEPJNEOHLKVFLC-UHFFFAOYSA-N 2 0 330.476 1.190 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CCCc3ccncc3)CC2)C1 ZINC000360446583 152047669 /nfs/dbraw/zinc/04/76/69/152047669.db2.gz LNZBHVDHZWOLGD-FQEVSTJZSA-N 2 0 346.519 1.741 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000360849517 152228994 /nfs/dbraw/zinc/22/89/94/152228994.db2.gz MMIDIRPNGMLXOY-IRXDYDNUSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H]([NH2+]CC(=O)NCC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000360922339 152252578 /nfs/dbraw/zinc/25/25/78/152252578.db2.gz OLGNDIVOZSZTJS-LBPRGKRZSA-N 2 0 329.391 1.659 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000370139889 155343692 /nfs/dbraw/zinc/34/36/92/155343692.db2.gz HROCWAWEJQTARN-OWLYRPNTSA-N 2 0 331.460 1.126 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361214638 152337176 /nfs/dbraw/zinc/33/71/76/152337176.db2.gz FTGXSXMNJLVOPG-FHWLQOOXSA-N 3 0 340.556 1.349 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000417154622 304378645 /nfs/dbraw/zinc/37/86/45/304378645.db2.gz KQHZGEFFGUNFOT-QAPCUYQASA-N 2 0 345.491 1.815 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000574152890 306643638 /nfs/dbraw/zinc/64/36/38/306643638.db2.gz DZLPKHHNBHZRJO-MRXNPFEDSA-N 2 0 342.447 1.022 20 0 EDADRP COCC[C@@]1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC[NH2+]C1 ZINC000370201272 155374573 /nfs/dbraw/zinc/37/45/73/155374573.db2.gz IVHDVZVSJUEZFD-JZXOWHBKSA-N 2 0 341.496 1.008 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCN(c2cc(C)ncn2)CC1 ZINC000363615766 153013832 /nfs/dbraw/zinc/01/38/32/153013832.db2.gz ZTWMUISAGSXWED-INIZCTEOSA-N 2 0 331.464 1.744 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N(C)CC[NH3+])[NH+]1CCCCC1 ZINC000417188009 304382349 /nfs/dbraw/zinc/38/23/49/304382349.db2.gz YLNAMFMQWHTSNI-INIZCTEOSA-N 2 0 334.464 1.822 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000364160127 153159474 /nfs/dbraw/zinc/15/94/74/153159474.db2.gz IXWBORNAHLTGIY-KRWDZBQOSA-N 2 0 330.476 1.700 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000417195655 304383413 /nfs/dbraw/zinc/38/34/13/304383413.db2.gz ODMJDDSMFYCFFW-ICSRJNTNSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000364250335 153186287 /nfs/dbraw/zinc/18/62/87/153186287.db2.gz SXKYKWXKOZROCS-WZDWLKHJSA-N 2 0 337.508 1.842 20 0 EDADRP CCCC[N@H+](CCOC)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000364357636 153215356 /nfs/dbraw/zinc/21/53/56/153215356.db2.gz JIBWXOCPTJDQJH-QGZVFWFLSA-N 2 0 343.512 1.208 20 0 EDADRP C[NH2+]CCCC(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366322158 153781655 /nfs/dbraw/zinc/78/16/55/153781655.db2.gz JAXPPIGZVBAAPK-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP CC(C)COc1ccccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000574500760 306651663 /nfs/dbraw/zinc/65/16/63/306651663.db2.gz LUIJNOGYZNLSFW-SFHVURJKSA-N 2 0 335.492 1.419 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(=O)[nH]n1 ZINC000367608610 154198304 /nfs/dbraw/zinc/19/83/04/154198304.db2.gz SCOHLGWZAFTULA-OAHLLOKOSA-N 2 0 333.480 1.783 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000417304709 304391925 /nfs/dbraw/zinc/39/19/25/304391925.db2.gz ZUOQABBMJJCUSP-CQSZACIVSA-N 2 0 334.464 1.616 20 0 EDADRP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]cc2-c2cccnc2)CC1 ZINC000367721267 154243668 /nfs/dbraw/zinc/24/36/68/154243668.db2.gz OYXOQMZHNCPYRD-UHFFFAOYSA-N 2 0 325.416 1.188 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC000417341259 304392701 /nfs/dbraw/zinc/39/27/01/304392701.db2.gz BHEXDPGZETYQMU-GDBMZVCRSA-N 2 0 334.464 1.567 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000417393446 304396184 /nfs/dbraw/zinc/39/61/84/304396184.db2.gz QMJFDMFRJCVKLW-UHFFFAOYSA-N 2 0 340.512 1.424 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)N(CC[NH3+])CCO)c2)CC1 ZINC000417471619 304397990 /nfs/dbraw/zinc/39/79/90/304397990.db2.gz VSBJWYREZZUNDP-UHFFFAOYSA-N 2 0 348.491 1.381 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)CN1CCOCC1 ZINC000372045924 156223957 /nfs/dbraw/zinc/22/39/57/156223957.db2.gz ICQRMNLYLIBUQH-AKHDSKFASA-N 2 0 339.524 1.434 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000372438556 156389409 /nfs/dbraw/zinc/38/94/09/156389409.db2.gz QIVWNDVUZCQKFK-GBESFXJTSA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+](C)CC1(NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000373986207 157095306 /nfs/dbraw/zinc/09/53/06/157095306.db2.gz OIEIGNUVSYSJEJ-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCc3[nH]cnc3C2)c1 ZINC000377980901 158046333 /nfs/dbraw/zinc/04/63/33/158046333.db2.gz BMAHJINNPDEMQO-HNNXBMFYSA-N 2 0 327.432 1.828 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000378204039 158107912 /nfs/dbraw/zinc/10/79/12/158107912.db2.gz KNDWCKAREVVARA-IXDOHACOSA-N 2 0 325.497 1.901 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC[NH2+]C1 ZINC000378228873 158116179 /nfs/dbraw/zinc/11/61/79/158116179.db2.gz YEQODXIQCQQEPZ-KBXCAEBGSA-N 2 0 332.448 1.313 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000378247907 158120373 /nfs/dbraw/zinc/12/03/73/158120373.db2.gz YWKHFMYRFZSKRH-ZACQAIPSSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000378318938 158139305 /nfs/dbraw/zinc/13/93/05/158139305.db2.gz RKTARBUHOUAYRU-GOSISDBHSA-N 2 0 336.524 1.251 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000378431724 158171585 /nfs/dbraw/zinc/17/15/85/158171585.db2.gz FPPKFFXASNZKIQ-VQIMIIECSA-N 2 0 335.467 1.819 20 0 EDADRP C[NH+](C)CCN1C[C@@H](C(=O)Nc2ccccc2C[NH+](C)C)CC1=O ZINC000576164506 306679691 /nfs/dbraw/zinc/67/96/91/306679691.db2.gz FVHFOCSDZCBNBC-HNNXBMFYSA-N 2 0 332.448 1.097 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754228 286850620 /nfs/dbraw/zinc/85/06/20/286850620.db2.gz NQKMVOWARHEGMI-KFWWJZLASA-N 2 0 346.475 1.566 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000352341323 162128675 /nfs/dbraw/zinc/12/86/75/162128675.db2.gz WZVZDILEHQUJHL-ZACQAIPSSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000333941982 296828155 /nfs/dbraw/zinc/82/81/55/296828155.db2.gz POWKSLCAGVVKNR-CABCVRRESA-N 2 0 340.537 1.727 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000418062477 304453086 /nfs/dbraw/zinc/45/30/86/304453086.db2.gz ZGVZOTVIEVKNTM-ROUUACIJSA-N 2 0 330.476 1.684 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)cn1 ZINC000076331174 287281639 /nfs/dbraw/zinc/28/16/39/287281639.db2.gz YBGGVSTZUGLFJM-UHFFFAOYSA-N 2 0 341.459 1.536 20 0 EDADRP CCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000112362246 287340415 /nfs/dbraw/zinc/34/04/15/287340415.db2.gz XOZJHVWCISSXRK-UHFFFAOYSA-N 2 0 333.523 1.424 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000337365161 287351869 /nfs/dbraw/zinc/35/18/69/287351869.db2.gz KRMIKKVKHWKWSK-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000164416961 226070844 /nfs/dbraw/zinc/07/08/44/226070844.db2.gz HAZKIMCCHJLIHQ-UHFFFAOYSA-N 2 0 342.447 1.194 20 0 EDADRP [NH3+]C1(C(=O)NC2CC[NH+](CCOc3ccc(Cl)cc3)CC2)CC1 ZINC000169222946 226235181 /nfs/dbraw/zinc/23/51/81/226235181.db2.gz IDEFFDJYVMDROI-UHFFFAOYSA-N 2 0 337.851 1.791 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000418389471 304489758 /nfs/dbraw/zinc/48/97/58/304489758.db2.gz AENFOBDHUPDNHP-USXIJHARSA-N 2 0 334.439 1.555 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000237082689 273007532 /nfs/dbraw/zinc/00/75/32/273007532.db2.gz OPVZZNGUBTZTDY-SFHVURJKSA-N 2 0 332.492 1.609 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000238062625 273014107 /nfs/dbraw/zinc/01/41/07/273014107.db2.gz POILFJIVWNZDJY-MJGOQNOKSA-N 2 0 344.503 1.832 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000273037263 273025464 /nfs/dbraw/zinc/02/54/64/273025464.db2.gz FOQRMLMIBQUGAJ-AEFFLSMTSA-N 2 0 333.476 1.244 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000274489619 268149390 /nfs/dbraw/zinc/14/93/90/268149390.db2.gz DZEASLNBHQKCCT-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274865513 268226602 /nfs/dbraw/zinc/22/66/02/268226602.db2.gz DSWJTIIUNIWYCU-FUHWJXTLSA-N 2 0 345.487 1.769 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnn1CC(F)F ZINC000278927629 273272768 /nfs/dbraw/zinc/27/27/68/273272768.db2.gz BTRQQZFWDZPYGV-UHFFFAOYSA-N 2 0 345.438 1.494 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@H](O)C[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000279496749 273302547 /nfs/dbraw/zinc/30/25/47/273302547.db2.gz PWOBXTXFEXJOIX-IEZWGBDMSA-N 2 0 345.487 1.252 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000347219625 274226881 /nfs/dbraw/zinc/22/68/81/274226881.db2.gz INLVLCMDJRDVNY-HKUYNNGSSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H](C[NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000285779909 274647264 /nfs/dbraw/zinc/64/72/64/274647264.db2.gz NAVMOXNJUODODP-ZDUSSCGKSA-N 2 0 339.867 1.894 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000362564189 275011274 /nfs/dbraw/zinc/01/12/74/275011274.db2.gz IKOZXONMHMUQOK-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP CCC[C@@H](O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000450620783 276026174 /nfs/dbraw/zinc/02/61/74/276026174.db2.gz WKPNOLPIUHLMRK-GOSISDBHSA-N 2 0 339.524 1.852 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000339500268 276177321 /nfs/dbraw/zinc/17/73/21/276177321.db2.gz OMURIBNSMZSSDN-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000344243753 276193829 /nfs/dbraw/zinc/19/38/29/276193829.db2.gz GURFYCUISUEOLP-IEBWSBKVSA-N 2 0 344.503 1.576 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCN(C)CC2)C1 ZINC000363672127 276360700 /nfs/dbraw/zinc/36/07/00/276360700.db2.gz MPXWYZFQVHJSGJ-ZWKOTPCHSA-N 2 0 336.524 1.347 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC000339959990 276785913 /nfs/dbraw/zinc/78/59/13/276785913.db2.gz QQBCAUADPOUVDP-HYVNUMGLSA-N 2 0 328.416 1.658 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237191881 277025371 /nfs/dbraw/zinc/02/53/71/277025371.db2.gz VLPGRXUMEUVHDM-QGZVFWFLSA-N 2 0 332.492 1.166 20 0 EDADRP COC(=O)[C@@H]1[C@H]2CCC[C@@H]2C[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000249282612 277111561 /nfs/dbraw/zinc/11/15/61/277111561.db2.gz NCQYEDJLJOYAJY-SQNIBIBYSA-N 2 0 337.508 1.676 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423515389 277116229 /nfs/dbraw/zinc/11/62/29/277116229.db2.gz NDFHCNZSAHWGHC-NCYKPQTJSA-N 2 0 342.531 1.923 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430593443 277546855 /nfs/dbraw/zinc/54/68/55/277546855.db2.gz SPDIEGDOYTUNEJ-OAGGEKHMSA-N 2 0 325.497 1.709 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424474040 277935241 /nfs/dbraw/zinc/93/52/41/277935241.db2.gz HOBZEFFPCASBBZ-TVFCKZIOSA-N 2 0 346.475 1.710 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H]1COc2ccccc21 ZINC000423869212 278321041 /nfs/dbraw/zinc/32/10/41/278321041.db2.gz BYZUKJBZDZXXQS-RHSMWYFYSA-N 2 0 331.460 1.871 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261744781 279138677 /nfs/dbraw/zinc/13/86/77/279138677.db2.gz UCNQBOAKTBQCID-IBGZPJMESA-N 2 0 333.476 1.771 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000154925063 279312564 /nfs/dbraw/zinc/31/25/64/279312564.db2.gz TVXOBGZHMFBYBP-CVEARBPZSA-N 2 0 346.475 1.930 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000492261217 279372025 /nfs/dbraw/zinc/37/20/25/279372025.db2.gz VJFARXOUKKYCSN-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439404 288162606 /nfs/dbraw/zinc/16/26/06/288162606.db2.gz UKHWNWIDXSKQSF-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP CC(C)[C@H](CNC(=O)COC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000423321332 280240686 /nfs/dbraw/zinc/24/06/86/280240686.db2.gz HEVJNVNKGVUQIC-KRWDZBQOSA-N 2 0 325.497 1.628 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000287557914 288264953 /nfs/dbraw/zinc/26/49/53/288264953.db2.gz MHSPKSFDURCNMK-KRWDZBQOSA-N 2 0 342.487 1.997 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418133040 288317369 /nfs/dbraw/zinc/31/73/69/288317369.db2.gz FNMOPFIMSFTSJY-QAPCUYQASA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Nc2cccc3c2CNC3=O)CC1 ZINC000287810956 288329011 /nfs/dbraw/zinc/32/90/11/288329011.db2.gz SQFHHOSYRHNTHG-UHFFFAOYSA-N 2 0 345.447 1.078 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000288175961 288423181 /nfs/dbraw/zinc/42/31/81/288423181.db2.gz OAKRUJGIQMAAKL-AWEZNQCLSA-N 2 0 334.464 1.533 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000290064288 288831953 /nfs/dbraw/zinc/83/19/53/288831953.db2.gz FTQVTNWDOCWUIS-QZTJIDSGSA-N 2 0 333.476 1.877 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000291598253 289119456 /nfs/dbraw/zinc/11/94/56/289119456.db2.gz GVUGTIACXOAWDS-ICSRJNTNSA-N 2 0 342.487 1.998 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)C(C)(C)C ZINC000417675723 289182499 /nfs/dbraw/zinc/18/24/99/289182499.db2.gz CMNNGKXFSYBNLS-CVEARBPZSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291872540 289202568 /nfs/dbraw/zinc/20/25/68/289202568.db2.gz IMSPHGANCSOMEV-ICSRJNTNSA-N 2 0 344.503 1.897 20 0 EDADRP CC(C)[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCOC1 ZINC000291998927 289235859 /nfs/dbraw/zinc/23/58/59/289235859.db2.gz XGOJTYIRHOQQDP-MSOLQXFVSA-N 2 0 333.476 1.905 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)[NH+]1CCCCCC1 ZINC000366414232 289292351 /nfs/dbraw/zinc/29/23/51/289292351.db2.gz MYBHLWOPNFGSIF-BRSBDYLESA-N 2 0 337.508 1.961 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000354556544 289517167 /nfs/dbraw/zinc/51/71/67/289517167.db2.gz SYEHGXFCQWMMJR-KBMXLJTQSA-N 2 0 326.485 1.004 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000261761192 295271955 /nfs/dbraw/zinc/27/19/55/295271955.db2.gz NOYORVLHPUJZFC-IEBWSBKVSA-N 2 0 345.487 1.635 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CC[NH+](C)CC1 ZINC000418196831 295577336 /nfs/dbraw/zinc/57/73/36/295577336.db2.gz IIYVRZLIGGXOOK-ZIAGYGMSSA-N 2 0 326.510 1.207 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418654698 304526199 /nfs/dbraw/zinc/52/61/99/304526199.db2.gz BEWFWLUNQBLVIN-ZWKOTPCHSA-N 2 0 345.491 1.543 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000356731042 300243024 /nfs/dbraw/zinc/24/30/24/300243024.db2.gz SVMJSWKOCDUDEO-JKSUJKDBSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000419639164 447311635 /nfs/dbraw/zinc/31/16/35/447311635.db2.gz CDGSLKCRDNPOHW-ZBFHGGJFSA-N 2 0 346.475 1.100 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000419983172 304720892 /nfs/dbraw/zinc/72/08/92/304720892.db2.gz BUJHJIKDPXGMIT-JKSUJKDBSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000419653469 447322919 /nfs/dbraw/zinc/32/29/19/447322919.db2.gz QVIFCUFSYLEUGW-CJNGLKHVSA-N 2 0 346.475 1.086 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000293596848 302989857 /nfs/dbraw/zinc/98/98/57/302989857.db2.gz FPSPENPOIIYKRU-UHFFFAOYSA-N 2 0 333.480 1.227 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294490100 303114814 /nfs/dbraw/zinc/11/48/14/303114814.db2.gz BCBWODNMAJCTES-CQSZACIVSA-N 2 0 332.448 1.133 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000295210755 303189090 /nfs/dbraw/zinc/18/90/90/303189090.db2.gz PYPOADUFWXQZCI-UKRRQHHQSA-N 2 0 344.459 1.463 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000443057173 303390083 /nfs/dbraw/zinc/39/00/83/303390083.db2.gz FUABROYVTSBALF-MRXNPFEDSA-N 2 0 325.497 1.903 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000414860453 447331913 /nfs/dbraw/zinc/33/19/13/447331913.db2.gz VLRQPBRCVGPEPN-HUUCEWRRSA-N 2 0 346.475 1.724 20 0 EDADRP O=C(COC1CCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299573778 303631002 /nfs/dbraw/zinc/63/10/02/303631002.db2.gz PTFHRXHPUVVJBD-UHFFFAOYSA-N 2 0 346.475 1.669 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NCC1(C)CC[NH2+]CC1)C(C)C ZINC000419672570 447337357 /nfs/dbraw/zinc/33/73/57/447337357.db2.gz ZRVGWPQEWLORBC-UHFFFAOYSA-N 2 0 340.512 1.117 20 0 EDADRP Cc1cnn(C)c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000411794053 303915428 /nfs/dbraw/zinc/91/54/28/303915428.db2.gz RSWKIHNHCGTVOY-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423020579 304883219 /nfs/dbraw/zinc/88/32/19/304883219.db2.gz CBBHELGXBMYXHO-ABAIWWIYSA-N 2 0 343.830 1.928 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423117862 304887454 /nfs/dbraw/zinc/88/74/54/304887454.db2.gz XPQWCORLAFKMII-ROUUACIJSA-N 2 0 333.476 1.564 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nnc(CC)s2)CC[NH2+]CC1 ZINC000423131618 304887988 /nfs/dbraw/zinc/88/79/88/304887988.db2.gz BAASHOZCKMCUGW-NSHDSACASA-N 2 0 326.466 1.512 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)cn2)CC1 ZINC000423718460 304905682 /nfs/dbraw/zinc/90/56/82/304905682.db2.gz BCFJFAGIEUQEGX-OAHLLOKOSA-N 2 0 329.448 1.162 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000424036223 304925850 /nfs/dbraw/zinc/92/58/50/304925850.db2.gz RMBASKMYMWCOSJ-SOLBZPMBSA-N 2 0 335.423 1.095 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000430581840 305056958 /nfs/dbraw/zinc/05/69/58/305056958.db2.gz PNAQPRHJUAJYLX-UHFFFAOYSA-N 2 0 348.447 1.665 20 0 EDADRP C[N@H+](CCCOc1cccc2ccccc21)CC(=O)N1CC[NH2+]CC1 ZINC000430622538 305059514 /nfs/dbraw/zinc/05/95/14/305059514.db2.gz GKMUIYZXBKKTDU-UHFFFAOYSA-N 2 0 341.455 1.972 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430632367 305060391 /nfs/dbraw/zinc/06/03/91/305060391.db2.gz XDLQOQMXIDEFNZ-YQQAZPJKSA-N 2 0 346.475 1.039 20 0 EDADRP COc1ccc(CCNC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430633856 305060429 /nfs/dbraw/zinc/06/04/29/305060429.db2.gz CHTGLDCPESDRPM-CQSZACIVSA-N 2 0 349.475 1.422 20 0 EDADRP C[NH2+][C@@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000430655123 305061686 /nfs/dbraw/zinc/06/16/86/305061686.db2.gz RDDLFXXQRALKAJ-LJQANCHMSA-N 2 0 344.503 1.323 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000430777222 305064625 /nfs/dbraw/zinc/06/46/25/305064625.db2.gz MMBFAFAANCXWLX-DUZACMNTSA-N 2 0 335.492 1.524 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCC[NH2+]CC1 ZINC000430921485 305068285 /nfs/dbraw/zinc/06/82/85/305068285.db2.gz UBEXUZMBKKYUSQ-QGZVFWFLSA-N 2 0 344.503 1.451 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C1CCN(Cc2nc(C(C)(C)[NH3+])no2)CC1 ZINC000431066958 305074175 /nfs/dbraw/zinc/07/41/75/305074175.db2.gz BOZQQBLAKISFEG-GFCCVEGCSA-N 2 0 337.468 1.636 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000431741677 305082413 /nfs/dbraw/zinc/08/24/13/305082413.db2.gz CQINGSLCRSPIEL-GOSISDBHSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)c1nnc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433113036 305100579 /nfs/dbraw/zinc/10/05/79/305100579.db2.gz BCFKDNXZVUOHJJ-UHFFFAOYSA-N 2 0 325.482 1.481 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc2ccccc2[nH]1 ZINC000433116756 305100685 /nfs/dbraw/zinc/10/06/85/305100685.db2.gz MUBQVANATYFOGM-ZDUSSCGKSA-N 2 0 329.448 1.943 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2nncn2-c2ccccc2)CC1 ZINC000433117932 305100887 /nfs/dbraw/zinc/10/08/87/305100887.db2.gz QCXKZZHGPNMRIK-UHFFFAOYSA-N 2 0 342.447 1.087 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cc(F)ccc2F)CC1 ZINC000433123263 305101061 /nfs/dbraw/zinc/10/10/61/305101061.db2.gz YPTHEGLROFVBTL-UHFFFAOYSA-N 2 0 325.403 1.827 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2O[C@H]2CCOC2)CC1 ZINC000433130108 305101247 /nfs/dbraw/zinc/10/12/47/305101247.db2.gz QPRFPDNGGUTBEQ-INIZCTEOSA-N 2 0 347.459 1.996 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(c3ccc(O)cc3)CC2)CC1 ZINC000433173986 305102361 /nfs/dbraw/zinc/10/23/61/305102361.db2.gz LTRRFHYZPRKOHU-UHFFFAOYSA-N 2 0 346.475 1.244 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(O)CCO[C@@H]2C)CC1 ZINC000433204150 305103004 /nfs/dbraw/zinc/10/30/04/305103004.db2.gz FDECNRNQMDSSPH-XLIONFOSSA-N 2 0 347.503 1.848 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000433290074 305105212 /nfs/dbraw/zinc/10/52/12/305105212.db2.gz RNKYMSPUBDQYFI-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433328575 305105839 /nfs/dbraw/zinc/10/58/39/305105839.db2.gz AMVLZWYMXZTNHB-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1[NH+](C)C ZINC000433457013 305109676 /nfs/dbraw/zinc/10/96/76/305109676.db2.gz OBTXMONPLAIKHA-XHSDSOJGSA-N 2 0 326.485 1.079 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442923164 305231245 /nfs/dbraw/zinc/23/12/45/305231245.db2.gz PZTDAOIDMGEBPV-OAHLLOKOSA-N 2 0 349.475 1.771 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442923163 305231271 /nfs/dbraw/zinc/23/12/71/305231271.db2.gz PZTDAOIDMGEBPV-HNNXBMFYSA-N 2 0 349.475 1.771 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCC([NH+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000444375910 305247438 /nfs/dbraw/zinc/24/74/38/305247438.db2.gz QWWZBMSSNNNSJX-APWZRJJASA-N 2 0 347.503 1.983 20 0 EDADRP CCC1(CC)CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000446712418 305269707 /nfs/dbraw/zinc/26/97/07/305269707.db2.gz RGVYAWPYWJRMPH-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000449119870 305307113 /nfs/dbraw/zinc/30/71/13/305307113.db2.gz AOZREYOODTZCOS-DLBZAZTESA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)COC2CCC([NH3+])CC2)cc1F ZINC000449167121 305308592 /nfs/dbraw/zinc/30/85/92/305308592.db2.gz IARDOQDCZXLYMT-UHFFFAOYSA-N 2 0 337.439 1.790 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H](C)O1 ZINC000449318652 305311397 /nfs/dbraw/zinc/31/13/97/305311397.db2.gz WSOABKZUAPTAEX-FUHIMQAGSA-N 2 0 345.487 1.533 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCCO2)cc1)C1CC1 ZINC000449712380 305317746 /nfs/dbraw/zinc/31/77/46/305317746.db2.gz RKTOQKFYALBKMH-GOSISDBHSA-N 2 0 331.460 1.779 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000452346232 305390883 /nfs/dbraw/zinc/39/08/83/305390883.db2.gz GOQONOMILHNVCZ-MRXNPFEDSA-N 2 0 349.475 1.204 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+](C)Cc1ccccc1 ZINC000452367683 305393349 /nfs/dbraw/zinc/39/33/49/305393349.db2.gz BTDKKFWUBWVHEI-OALUTQOASA-N 2 0 347.503 1.860 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000452385962 305396468 /nfs/dbraw/zinc/39/64/68/305396468.db2.gz VVMAUJOBHITROQ-SJORKVTESA-N 2 0 337.508 1.604 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422120985 447359038 /nfs/dbraw/zinc/35/90/38/447359038.db2.gz QQQHYRSHJITONL-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000521983203 305796459 /nfs/dbraw/zinc/79/64/59/305796459.db2.gz FKXDGANYSKSXIC-INIZCTEOSA-N 2 0 345.491 1.868 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532215167 305976847 /nfs/dbraw/zinc/97/68/47/305976847.db2.gz STSLEXUAXTYZDN-QGZVFWFLSA-N 2 0 346.523 1.309 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000540913503 306041222 /nfs/dbraw/zinc/04/12/22/306041222.db2.gz RKBOVBQZIQNHEE-CEXWTWQISA-N 2 0 342.487 1.846 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCOC[C@@H]3CCCO3)CC2)CC1 ZINC000544488277 306075390 /nfs/dbraw/zinc/07/53/90/306075390.db2.gz DBLRTLFOBFCQMP-SFHVURJKSA-N 2 0 339.524 1.532 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CC1(C)CCCCC1 ZINC000547791805 306111940 /nfs/dbraw/zinc/11/19/40/306111940.db2.gz SFABKMHATMEAIN-UHFFFAOYSA-N 2 0 333.542 1.712 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548459729 306128449 /nfs/dbraw/zinc/12/84/49/306128449.db2.gz KHSXWSANEQEWHL-IRXDYDNUSA-N 2 0 338.540 1.780 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000552178505 306177036 /nfs/dbraw/zinc/17/70/36/306177036.db2.gz ZNOGMFPCTUBNJV-NVXWUHKLSA-N 2 0 325.497 1.602 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000552207083 306177627 /nfs/dbraw/zinc/17/76/27/306177627.db2.gz DMLWUPFBIZTUNP-ICSRJNTNSA-N 2 0 343.471 1.224 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000554452450 306191665 /nfs/dbraw/zinc/19/16/65/306191665.db2.gz QUWMCISCSZFDBB-WMZOPIPTSA-N 2 0 347.507 1.224 20 0 EDADRP CC[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000556850961 306220092 /nfs/dbraw/zinc/22/00/92/306220092.db2.gz XFXWJPFQXXMSNM-QUCCMNQESA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000557133925 306224719 /nfs/dbraw/zinc/22/47/19/306224719.db2.gz GWGJEBKWPIAMQV-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414946921 447369409 /nfs/dbraw/zinc/36/94/09/447369409.db2.gz UYWBDIUZWKOOQV-XJKSGUPXSA-N 2 0 344.459 1.476 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414951765 447370294 /nfs/dbraw/zinc/37/02/94/447370294.db2.gz QBTHOXZNQYVSPU-ZBFHGGJFSA-N 2 0 330.432 1.217 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458444251 447371661 /nfs/dbraw/zinc/37/16/61/447371661.db2.gz BDNYRITZSUYUTG-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414956748 447373654 /nfs/dbraw/zinc/37/36/54/447373654.db2.gz VPEAZDXOENCVKC-XEZPLFJOSA-N 2 0 333.432 1.920 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458453130 447375603 /nfs/dbraw/zinc/37/56/03/447375603.db2.gz ISZSOONODLUBMH-KRWDZBQOSA-N 2 0 340.512 1.254 20 0 EDADRP [NH3+]CC[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000449625593 447379576 /nfs/dbraw/zinc/37/95/76/447379576.db2.gz OVEUUBMFCLFKTP-HNNXBMFYSA-N 2 0 325.403 1.997 20 0 EDADRP CN(c1ccccc1CNC[C@@H]1C[NH2+]CCN1C)C1CC[NH+](C)CC1 ZINC000414971227 447380759 /nfs/dbraw/zinc/38/07/59/447380759.db2.gz ICDFYIYZRRNFNT-IBGZPJMESA-N 3 0 345.535 1.210 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cc(F)c(F)cc2F)[C@H](C2CC[NH2+]CC2)N1 ZINC000414982338 447382759 /nfs/dbraw/zinc/38/27/59/447382759.db2.gz CYWSYNIQMHTVHT-WBVHZDCISA-N 2 0 341.377 1.840 20 0 EDADRP Cc1cc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cc(C)n1 ZINC000422205248 447401878 /nfs/dbraw/zinc/40/18/78/447401878.db2.gz JVJXVZQQYQCGOU-HNNXBMFYSA-N 2 0 334.464 1.685 20 0 EDADRP CN1CCN(C(=O)/C=C\c2c(Cl)nc3sccn23)[C@@H](C[NH3+])C1 ZINC000493835994 447406526 /nfs/dbraw/zinc/40/65/26/447406526.db2.gz LBOPZJQEYSGJJQ-ZMWSMAPVSA-N 2 0 339.852 1.164 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3ccccc3OC2)C1 ZINC000493974591 447421369 /nfs/dbraw/zinc/42/13/69/447421369.db2.gz BWIGSFUWGWFKFK-SJORKVTESA-N 2 0 331.460 1.557 20 0 EDADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000419806241 447425273 /nfs/dbraw/zinc/42/52/73/447425273.db2.gz RCZDFCAKKYGEKU-LSDHHAIUSA-N 2 0 338.496 1.001 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC000069936942 441092978 /nfs/dbraw/zinc/09/29/78/441092978.db2.gz ZEYRXKHCLNLSRO-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP Cc1nn(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1Cl ZINC000103213183 441178271 /nfs/dbraw/zinc/17/82/71/441178271.db2.gz YUYGRZAADZFUDN-UHFFFAOYSA-N 2 0 329.876 1.105 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000105082523 441231088 /nfs/dbraw/zinc/23/10/88/441231088.db2.gz LRJQJNHEELFCRF-CRAIPNDOSA-N 2 0 332.492 1.941 20 0 EDADRP C[NH+]1CCC(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000105125378 441236185 /nfs/dbraw/zinc/23/61/85/441236185.db2.gz UOLQOKLFUDWTPV-UHFFFAOYSA-N 2 0 330.476 1.686 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000104782843 441208549 /nfs/dbraw/zinc/20/85/49/441208549.db2.gz ZSWQTJMSCPJPBT-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC1 ZINC000072998436 441285078 /nfs/dbraw/zinc/28/50/78/441285078.db2.gz DAHWTKJHDVJGAC-KRWDZBQOSA-N 2 0 336.455 1.182 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000085425798 441439338 /nfs/dbraw/zinc/43/93/38/441439338.db2.gz QHOSLFOXAAILBF-HOTGVXAUSA-N 2 0 342.528 1.715 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000074181148 441403698 /nfs/dbraw/zinc/40/36/98/441403698.db2.gz YHWSHTQMDBFUSC-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000108618424 441469212 /nfs/dbraw/zinc/46/92/12/441469212.db2.gz WWLXSJMQQKWGPU-KRWDZBQOSA-N 2 0 344.459 1.287 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCC(C)CC2)C1 ZINC000053099519 441498450 /nfs/dbraw/zinc/49/84/50/441498450.db2.gz KUTHZAIJJCHWER-ABHNRTSZSA-N 2 0 339.524 1.970 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC(=O)N(C)C2)CC1 ZINC000088698053 441517162 /nfs/dbraw/zinc/51/71/62/441517162.db2.gz OJDJYMZJWXLWHZ-QGZVFWFLSA-N 2 0 330.476 1.539 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC3(CO)COC3)CC2)C[C@@H](C)O1 ZINC000089140390 441527362 /nfs/dbraw/zinc/52/73/62/441527362.db2.gz AOQXJNOBHNAEOL-HZPDHXFCSA-N 2 0 326.481 1.207 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2nncn2c1 ZINC000112913298 441566589 /nfs/dbraw/zinc/56/65/89/441566589.db2.gz NLPQSMAKJDVKHF-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000415439065 447441165 /nfs/dbraw/zinc/44/11/65/447441165.db2.gz CFHHPISJJNPCFG-HUUCEWRRSA-N 2 0 332.448 1.239 20 0 EDADRP CS(=O)(=O)N1CC[C@H](C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000090797247 441644083 /nfs/dbraw/zinc/64/40/83/441644083.db2.gz QHOZCMXYSFFCIJ-OAHLLOKOSA-N 2 0 343.537 1.655 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC[C@H](C[NH+](C)C)C3)c2cc1C ZINC000113513426 441613016 /nfs/dbraw/zinc/61/30/16/441613016.db2.gz YPCGIEMWRVFKBW-IAGOWNOFSA-N 2 0 330.476 1.898 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000137515393 441772043 /nfs/dbraw/zinc/77/20/43/441772043.db2.gz CYGYNNNWYWKOMJ-GOSISDBHSA-N 2 0 336.524 1.347 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000121764170 441775944 /nfs/dbraw/zinc/77/59/44/441775944.db2.gz NYYCINJURCENJF-MJGOQNOKSA-N 2 0 348.491 1.435 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C[C@H]1CCC[NH+](C)C1 ZINC000115825989 441780210 /nfs/dbraw/zinc/78/02/10/441780210.db2.gz YXQJYDDAABELKG-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCCCC[NH+]1CCOCC1)C(C)(C)C ZINC000116422187 441820443 /nfs/dbraw/zinc/82/04/43/441820443.db2.gz ZHSCMEJCICIIBR-MRXNPFEDSA-N 2 0 342.528 1.764 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077574190 441808660 /nfs/dbraw/zinc/80/86/60/441808660.db2.gz UXHXSYLTTSAONN-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000068515351 441812251 /nfs/dbraw/zinc/81/22/51/441812251.db2.gz BEAMMNRSNBCJTJ-IBGZPJMESA-N 2 0 346.519 1.823 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(-n2cccn2)c1 ZINC000116752625 441839232 /nfs/dbraw/zinc/83/92/32/441839232.db2.gz HXMLSWPCNSOEDG-UHFFFAOYSA-N 2 0 329.448 1.438 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000173833684 441848887 /nfs/dbraw/zinc/84/88/87/441848887.db2.gz VWMJGVDXZRRLDY-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000174201917 441902117 /nfs/dbraw/zinc/90/21/17/441902117.db2.gz GVAAWWIGKUMCOC-MOPGFXCFSA-N 2 0 342.487 1.815 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000174201956 441902364 /nfs/dbraw/zinc/90/23/64/441902364.db2.gz GVAAWWIGKUMCOC-RBUKOAKNSA-N 2 0 342.487 1.815 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000069501062 441954164 /nfs/dbraw/zinc/95/41/64/441954164.db2.gz GCYHVFLXTASQEQ-MOPGFXCFSA-N 2 0 345.487 1.878 20 0 EDADRP CN(CC1CCCCC1)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712635 441955967 /nfs/dbraw/zinc/95/59/67/441955967.db2.gz NWSICQKBQWEAJS-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000161898719 442041961 /nfs/dbraw/zinc/04/19/61/442041961.db2.gz GAQRFQNFAVQPHC-INIZCTEOSA-N 2 0 335.496 1.178 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000175558487 442085634 /nfs/dbraw/zinc/08/56/34/442085634.db2.gz GBXXUGKUEGNGBI-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000175748281 442115533 /nfs/dbraw/zinc/11/55/33/442115533.db2.gz DVOVSZFAAXHXPO-INIZCTEOSA-N 2 0 336.455 1.899 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000175781801 442121228 /nfs/dbraw/zinc/12/12/28/442121228.db2.gz HSGVFPBNZOFETB-KRWDZBQOSA-N 2 0 338.496 1.082 20 0 EDADRP COc1ccc2c(c1)C=C(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000152097960 442164950 /nfs/dbraw/zinc/16/49/50/442164950.db2.gz CNYZXIRZUYRPSF-UHFFFAOYSA-N 2 0 347.459 1.423 20 0 EDADRP CC(C)[N@H+](CCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000176361040 442214738 /nfs/dbraw/zinc/21/47/38/442214738.db2.gz MYCVVIPXWURMTL-UHFFFAOYSA-N 2 0 333.476 1.601 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000169027199 442226216 /nfs/dbraw/zinc/22/62/16/442226216.db2.gz DTOBPEBFYLYGRS-HIFRSBDPSA-N 2 0 334.468 1.114 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651775 442280209 /nfs/dbraw/zinc/28/02/09/442280209.db2.gz RDANIYHFQJIWEP-IRXDYDNUSA-N 2 0 345.491 1.193 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000129014446 442298304 /nfs/dbraw/zinc/29/83/04/442298304.db2.gz VIKFAKAHFJQLMA-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000171189149 442324515 /nfs/dbraw/zinc/32/45/15/442324515.db2.gz DXSDNNGMQFFPAC-HNNXBMFYSA-N 2 0 338.452 1.294 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000171191178 442324930 /nfs/dbraw/zinc/32/49/30/442324930.db2.gz CZDKBWMOSBZZSB-INIZCTEOSA-N 2 0 340.443 1.306 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000171200562 442326790 /nfs/dbraw/zinc/32/67/90/442326790.db2.gz BBOLIOVMJVNZME-WBVHZDCISA-N 2 0 328.501 1.374 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000131699925 442378030 /nfs/dbraw/zinc/37/80/30/442378030.db2.gz QLNMRMPMMLZEBU-SJLPKXTDSA-N 2 0 342.528 1.764 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccco2)C[N@@H+]1C1CC1 ZINC000131771695 442380116 /nfs/dbraw/zinc/38/01/16/442380116.db2.gz QWEXHPKVYHSHDL-GJZGRUSLSA-N 2 0 334.464 1.978 20 0 EDADRP CCCNC(=O)NC(=O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000154756981 442355617 /nfs/dbraw/zinc/35/56/17/442355617.db2.gz ODNQVVWGSOFGSP-MRXNPFEDSA-N 2 0 338.496 1.666 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000154765517 442356078 /nfs/dbraw/zinc/35/60/78/442356078.db2.gz RJCZPADFCTWFPW-ZWKOTPCHSA-N 2 0 335.492 1.717 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000155653658 442416533 /nfs/dbraw/zinc/41/65/33/442416533.db2.gz HCPLYCYNPIFTBH-DYVFJYSZSA-N 2 0 337.464 1.625 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000178414810 442431406 /nfs/dbraw/zinc/43/14/06/442431406.db2.gz LLSBVPGORGQXRY-AWEZNQCLSA-N 2 0 325.478 1.731 20 0 EDADRP CC[C@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000134586001 442498225 /nfs/dbraw/zinc/49/82/25/442498225.db2.gz RIGXLCYRXQFHKJ-ZIFCJYIRSA-N 2 0 336.524 1.536 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)C12CCOCC2 ZINC000186322409 442511695 /nfs/dbraw/zinc/51/16/95/442511695.db2.gz HUSXULLBFIMABN-BRWVUGGUSA-N 2 0 325.497 1.186 20 0 EDADRP CN(c1ccccc1C[NH2+]CC(=O)NCC1CC1)C1CC[NH+](C)CC1 ZINC000180393952 442593933 /nfs/dbraw/zinc/59/39/33/442593933.db2.gz VWCODUUKOUSXLC-UHFFFAOYSA-N 2 0 344.503 1.833 20 0 EDADRP CCC[C@@H]1CN(C(=O)c2ccc3nccn3c2)CC[N@@H+]1CCOC ZINC000179316826 442619294 /nfs/dbraw/zinc/61/92/94/442619294.db2.gz BFSXMEXIYQRELE-MRXNPFEDSA-N 2 0 330.432 1.907 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000157883513 442623704 /nfs/dbraw/zinc/62/37/04/442623704.db2.gz HFNQNAMVXMQBTI-KRWDZBQOSA-N 2 0 330.476 1.539 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000187519526 442680322 /nfs/dbraw/zinc/68/03/22/442680322.db2.gz ZNNJDYQGWRMPSI-HOTGVXAUSA-N 2 0 342.528 1.449 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOCC3(CCOCC3)C2)CC1 ZINC000192795273 442687085 /nfs/dbraw/zinc/68/70/85/442687085.db2.gz SKOZSDDRHYAPGG-UHFFFAOYSA-N 2 0 339.524 1.532 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000192534983 442659887 /nfs/dbraw/zinc/65/98/87/442659887.db2.gz RSZCYIVAXJHAFQ-BEFAXECRSA-N 2 0 331.460 1.478 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000188060655 442706583 /nfs/dbraw/zinc/70/65/83/442706583.db2.gz XWPDFGVEMBZVAK-MAUKXSAKSA-N 2 0 331.460 1.666 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000193111196 442714314 /nfs/dbraw/zinc/71/43/14/442714314.db2.gz LMBLMQPQIXMHLW-IAGOWNOFSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](C)SC ZINC000246556319 442793137 /nfs/dbraw/zinc/79/31/37/442793137.db2.gz LLFDZCYKOLMERI-GJZGRUSLSA-N 2 0 330.542 1.795 20 0 EDADRP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC[N@@H+]1CC(C)(C)O ZINC000188714297 442795417 /nfs/dbraw/zinc/79/54/17/442795417.db2.gz LCGLBQKYIGCLDC-HNNXBMFYSA-N 2 0 333.476 1.665 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246672765 442800816 /nfs/dbraw/zinc/80/08/16/442800816.db2.gz GKNFLZXXIYLSJW-GJZGRUSLSA-N 2 0 336.484 1.687 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000182373043 442761454 /nfs/dbraw/zinc/76/14/54/442761454.db2.gz ZSCGFMJVBVECGN-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CC(C)CNC(=O)NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246447889 442783308 /nfs/dbraw/zinc/78/33/08/442783308.db2.gz DSBBRMNAEDDEQR-HOCLYGCPSA-N 2 0 336.480 1.417 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246924301 442821849 /nfs/dbraw/zinc/82/18/49/442821849.db2.gz GTFVVPSJWAPGEI-IXDOHACOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000247164177 442839295 /nfs/dbraw/zinc/83/92/95/442839295.db2.gz UXWFHWDUMGLCFQ-IAGOWNOFSA-N 2 0 338.496 1.082 20 0 EDADRP CCCNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182967543 442856490 /nfs/dbraw/zinc/85/64/90/442856490.db2.gz NXLPEUNPVFHFJC-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP O[C@@H](Cn1cccn1)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182957167 442854780 /nfs/dbraw/zinc/85/47/80/442854780.db2.gz LGTQYIPQHMNILP-GOSISDBHSA-N 2 0 336.480 1.068 20 0 EDADRP CC[C@H]([NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1)C(N)=O ZINC000181636513 318487199 /nfs/dbraw/zinc/48/71/99/318487199.db2.gz OGGZNSIVQIEBCH-CJNGLKHVSA-N 2 0 336.455 1.882 20 0 EDADRP CC[C@@]1(C)CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000248973605 442942085 /nfs/dbraw/zinc/94/20/85/442942085.db2.gz TZMPSZVKWAQALQ-MJGOQNOKSA-N 2 0 333.476 1.906 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000195130600 442987537 /nfs/dbraw/zinc/98/75/37/442987537.db2.gz ABPLBYSEPAUSJD-WBVHZDCISA-N 2 0 331.460 1.948 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000268740539 443094420 /nfs/dbraw/zinc/09/44/20/443094420.db2.gz FVUSCVMVJOJMTL-LSDHHAIUSA-N 2 0 340.489 1.712 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)O1 ZINC000190590065 443143489 /nfs/dbraw/zinc/14/34/89/443143489.db2.gz JNKCFZHFDYJAJQ-NVXWUHKLSA-N 2 0 339.524 1.970 20 0 EDADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1)[NH+](C)C ZINC000299028972 318868804 /nfs/dbraw/zinc/86/88/04/318868804.db2.gz SZRDNFJEAGEILR-SFHVURJKSA-N 2 0 332.492 1.887 20 0 EDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@@H+]1C ZINC000269055315 443184790 /nfs/dbraw/zinc/18/47/90/443184790.db2.gz SAGYKBCQJZRQQK-GSEOLPGOSA-N 3 0 331.504 1.942 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000269236686 443244690 /nfs/dbraw/zinc/24/46/90/443244690.db2.gz HFNYMJPERPXAMU-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP COC(=O)Cn1cc(CC[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nn1 ZINC000185716050 443243140 /nfs/dbraw/zinc/24/31/40/443243140.db2.gz WWYMCDQFTCTIOC-HUUCEWRRSA-N 2 0 349.479 1.236 20 0 EDADRP CCOC(=O)C[C@@](C)([NH2+]CC(=O)NC1CC[NH+](CC)CC1)C(C)C ZINC000411560092 319185016 /nfs/dbraw/zinc/18/50/16/319185016.db2.gz OKJBRNLGTNOIBQ-GOSISDBHSA-N 2 0 341.496 1.544 20 0 EDADRP C[C@@H](C[NH2+]Cc1cccc2c1OC(F)(F)O2)N1CC[NH+](C)CC1 ZINC000414321201 319324829 /nfs/dbraw/zinc/32/48/29/319324829.db2.gz CATCLLJRCPOYKT-LBPRGKRZSA-N 2 0 327.375 1.734 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCN(Cc3ccccc3)CC2)C1 ZINC000414670235 319338774 /nfs/dbraw/zinc/33/87/74/319338774.db2.gz LUWXTRMBXZUUMM-IBGZPJMESA-N 2 0 344.503 1.392 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000414671109 319339444 /nfs/dbraw/zinc/33/94/44/319339444.db2.gz LYDASAKSOXTNTH-UHFFFAOYSA-N 2 0 332.448 1.463 20 0 EDADRP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682681 319341877 /nfs/dbraw/zinc/34/18/77/319341877.db2.gz AELBKQAYDVQDTI-MCIONIFRSA-N 2 0 325.478 1.715 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414691735 319343256 /nfs/dbraw/zinc/34/32/56/319343256.db2.gz AJQDUUJKTPTRLN-CYBMUJFWSA-N 2 0 330.432 1.219 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[NH2+]C3)c2)C1 ZINC000415087893 319346949 /nfs/dbraw/zinc/34/69/49/319346949.db2.gz LFBWXEUKBMFZGU-ROUUACIJSA-N 2 0 330.476 1.226 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000415996179 319388283 /nfs/dbraw/zinc/38/82/83/319388283.db2.gz OMKIYLGRRRDHKU-KGLIPLIRSA-N 2 0 346.397 1.738 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000269361208 443293537 /nfs/dbraw/zinc/29/35/37/443293537.db2.gz SOKPTWDEHZTDJT-LJQANCHMSA-N 2 0 333.476 1.675 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC1CC[NH+](C)CC1 ZINC000185822661 443263932 /nfs/dbraw/zinc/26/39/32/443263932.db2.gz KOLPCAIIMIEZSI-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000185822095 443264125 /nfs/dbraw/zinc/26/41/25/443264125.db2.gz XDWQPKUDPHOTDR-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000416835127 319465083 /nfs/dbraw/zinc/46/50/83/319465083.db2.gz SXMZFZRXWUCYEY-GJZGRUSLSA-N 2 0 336.436 1.094 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000416833765 319465230 /nfs/dbraw/zinc/46/52/30/319465230.db2.gz CWNXGBUDOQLSLG-IRXDYDNUSA-N 2 0 334.464 1.139 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@@H](C)[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000416851191 319466518 /nfs/dbraw/zinc/46/65/18/319466518.db2.gz QZGBPPKBPNKWKN-DZKIICNBSA-N 2 0 334.464 1.867 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1C[NH3+] ZINC000417369397 319495004 /nfs/dbraw/zinc/49/50/04/319495004.db2.gz SBXNBBPXULCKLA-NVXWUHKLSA-N 2 0 348.491 1.753 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000418447226 319501296 /nfs/dbraw/zinc/50/12/96/319501296.db2.gz QEIDYBRQBCOBIG-DOTOQJQBSA-N 2 0 336.480 1.971 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418441928 319501394 /nfs/dbraw/zinc/50/13/94/319501394.db2.gz CZWSINPODJGNTI-DLBZAZTESA-N 2 0 334.464 1.439 20 0 EDADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267078784 443334984 /nfs/dbraw/zinc/33/49/84/443334984.db2.gz FXKCSYYTOSDKOV-AEFFLSMTSA-N 2 0 335.517 1.713 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]CCN2C(=O)c3ccccc3C2=O)CCCO1 ZINC000278454314 443336731 /nfs/dbraw/zinc/33/67/31/443336731.db2.gz YODLGOQYSPNZCA-HNNXBMFYSA-N 2 0 345.443 1.373 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000272487681 443336759 /nfs/dbraw/zinc/33/67/59/443336759.db2.gz SRTNFPAQWVPNPN-MRXNPFEDSA-N 2 0 336.505 1.453 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cn3ccsc3n2)CC[NH2+]CC1 ZINC000422699432 319733009 /nfs/dbraw/zinc/73/30/09/319733009.db2.gz DHJGHSZQASKDAN-LBPRGKRZSA-N 2 0 336.461 1.807 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1S(=O)(=O)NC(C)(C)C ZINC000422700793 319733368 /nfs/dbraw/zinc/73/33/68/319733368.db2.gz CHKAMIVSHQEJKA-CYBMUJFWSA-N 2 0 327.494 1.980 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C(=O)N(C)CC)C(C)C)CC[NH2+]CC1 ZINC000423159439 319752983 /nfs/dbraw/zinc/75/29/83/319752983.db2.gz PKAWDVUJOIGUET-CABCVRRESA-N 2 0 341.496 1.400 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423215927 319756292 /nfs/dbraw/zinc/75/62/92/319756292.db2.gz NUVWTQYYNYPSSB-DXCKQFNASA-N 2 0 337.489 1.689 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCC1 ZINC000423305407 319762550 /nfs/dbraw/zinc/76/25/50/319762550.db2.gz BQUYDZYFKPLDCE-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C12CCC2 ZINC000423393273 319770691 /nfs/dbraw/zinc/77/06/91/319770691.db2.gz QWXDOKVISBQJNX-MELADBBJSA-N 2 0 335.414 1.760 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000273055666 443529968 /nfs/dbraw/zinc/52/99/68/443529968.db2.gz IFUWXXVYQKPBTH-NXHRZFHOSA-N 2 0 331.460 1.516 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000279200257 443533148 /nfs/dbraw/zinc/53/31/48/443533148.db2.gz MOYBKEGDBQVZGS-TXPKVOOTSA-N 2 0 345.487 1.600 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000423749830 319810254 /nfs/dbraw/zinc/81/02/54/319810254.db2.gz CIHUWCCOOVZEDO-GOSISDBHSA-N 2 0 345.487 1.631 20 0 EDADRP CCO[C@@H]1C[C@@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433155358 319972823 /nfs/dbraw/zinc/97/28/23/319972823.db2.gz DTDLGCQUVJFTIV-HZPDHXFCSA-N 2 0 325.497 1.852 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000447440874 320142289 /nfs/dbraw/zinc/14/22/89/320142289.db2.gz LRZZYQILKJFMTI-NVXWUHKLSA-N 2 0 349.475 1.366 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000449372385 320185325 /nfs/dbraw/zinc/18/53/25/320185325.db2.gz HBXJWXRDZHWMHP-OXJNMPFZSA-N 2 0 336.439 1.767 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000449748110 320204524 /nfs/dbraw/zinc/20/45/24/320204524.db2.gz ZQUBLXYFPLTWIJ-UHFFFAOYSA-N 2 0 342.491 1.977 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1)[NH+](C)C ZINC000457455829 320326680 /nfs/dbraw/zinc/32/66/80/320326680.db2.gz MZOZROVREVFHMU-RDJZCZTQSA-N 2 0 334.464 1.137 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)C2C[NH+](C3CCCCC3)C2)CCSC1 ZINC000457610867 320330963 /nfs/dbraw/zinc/33/09/63/320330963.db2.gz JGNZVFJQGHAAQK-KRWDZBQOSA-N 2 0 325.522 1.804 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457724543 320333619 /nfs/dbraw/zinc/33/36/19/320333619.db2.gz YTUCKYIFEXHHDK-IKGGRYGDSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000471647701 320353214 /nfs/dbraw/zinc/35/32/14/320353214.db2.gz IDRLXABMMUUKCY-UHFFFAOYSA-N 2 0 348.491 1.482 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)CC[NH+](C)C)cc1 ZINC000276444048 443707639 /nfs/dbraw/zinc/70/76/39/443707639.db2.gz VQYXNCFUNPZGBU-UHFFFAOYSA-N 2 0 334.464 1.487 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000283806553 443725994 /nfs/dbraw/zinc/72/59/94/443725994.db2.gz WSSKWXSRRPUDAQ-UHFFFAOYSA-N 2 0 348.491 1.213 20 0 EDADRP CCc1ccc(C(C)(C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000520397942 320477734 /nfs/dbraw/zinc/47/77/34/320477734.db2.gz OCIXHBGOZGSJOP-LJQANCHMSA-N 2 0 333.520 1.725 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000288111931 443774592 /nfs/dbraw/zinc/77/45/92/443774592.db2.gz VPBFKADTSFWHDG-CGTJXYLNSA-N 2 0 348.491 1.119 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000529359647 320577282 /nfs/dbraw/zinc/57/72/82/320577282.db2.gz MHTKHZQBFQZKDJ-INIZCTEOSA-N 2 0 336.480 1.025 20 0 EDADRP COc1cc(C[NH+]2CCC[C@@H](O)C2)cc(C[N@@H+]2CCC[C@@H](O)C2)c1 ZINC000292683257 443816710 /nfs/dbraw/zinc/81/67/10/443816710.db2.gz RHGNPFSTBCNEHC-QZTJIDSGSA-N 2 0 334.460 1.609 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240428 320617065 /nfs/dbraw/zinc/61/70/65/320617065.db2.gz LUYFPSOBEWYPGY-YOEHRIQHSA-N 2 0 325.497 1.770 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000276824261 443841529 /nfs/dbraw/zinc/84/15/29/443841529.db2.gz FUBFEISCZJSENX-UHFFFAOYSA-N 2 0 348.491 1.923 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000531118696 320649286 /nfs/dbraw/zinc/64/92/86/320649286.db2.gz OZKSUHPSYMKISO-UHFFFAOYSA-N 2 0 332.448 1.137 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292940797 443883500 /nfs/dbraw/zinc/88/35/00/443883500.db2.gz JVUPYIJDVXDXMI-LIRRHRJNSA-N 2 0 344.459 1.530 20 0 EDADRP CS[C@@H]1CN(c2cc(NC[C@H](C)O)ncn2)C[C@H]1[NH+]1CCCC1 ZINC000298881864 443892025 /nfs/dbraw/zinc/89/20/25/443892025.db2.gz KZXFCRYSQVTLBU-BFHYXJOUSA-N 2 0 337.493 1.285 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000288544737 443913603 /nfs/dbraw/zinc/91/36/03/443913603.db2.gz FNPXGOMBHFHBOV-MRXNPFEDSA-N 2 0 333.432 1.179 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccn3ccnc3c2)C1 ZINC000299264231 444000044 /nfs/dbraw/zinc/00/00/44/444000044.db2.gz LORJCHZFPTWDOP-JSGCOSHPSA-N 2 0 329.404 1.262 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299262887 444000404 /nfs/dbraw/zinc/00/04/04/444000404.db2.gz QGIILPPEBPZEGJ-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP CCC[C@@]1(CO)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000288905214 444010397 /nfs/dbraw/zinc/01/03/97/444010397.db2.gz SXLHYAMWIXHBRJ-AZUAARDMSA-N 2 0 347.503 1.890 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000557241620 321000947 /nfs/dbraw/zinc/00/09/47/321000947.db2.gz WBYYONTXTJSYGL-ARFHVFGLSA-N 2 0 338.496 1.399 20 0 EDADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727391 444087896 /nfs/dbraw/zinc/08/78/96/444087896.db2.gz XIMOVBUUIODWKI-WOJBJXKFSA-N 2 0 340.471 1.842 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2=CC[NH2+]CC2)Cc2ccccc2C1 ZINC000562804070 321077114 /nfs/dbraw/zinc/07/71/14/321077114.db2.gz LQPDGPKSGSTJCO-UHFFFAOYSA-N 2 0 328.460 1.305 20 0 EDADRP C[C@H](CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C[NH+]1CCCC1 ZINC000563093149 321094739 /nfs/dbraw/zinc/09/47/39/321094739.db2.gz WPDYPQVTYQXOIZ-QAPCUYQASA-N 2 0 330.476 1.986 20 0 EDADRP O=C(C[NH2+]C1CC1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000563112452 321097441 /nfs/dbraw/zinc/09/74/41/321097441.db2.gz GIDBQDKNCQXLMT-UHFFFAOYSA-N 2 0 331.464 1.335 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000563395810 321108243 /nfs/dbraw/zinc/10/82/43/321108243.db2.gz CEOCXWQCIITPHH-KXBFYZLASA-N 2 0 335.492 1.214 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC(=O)Nc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000564823679 321149863 /nfs/dbraw/zinc/14/98/63/321149863.db2.gz SZBZMZUPAREJMX-QAPCUYQASA-N 2 0 330.476 1.820 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)COCc1ccccc1 ZINC000564854991 321151650 /nfs/dbraw/zinc/15/16/50/321151650.db2.gz VBDBHZTULBGDHK-ZCNNSNEGSA-N 2 0 348.487 1.532 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCCC2)[C@@H](C)C1 ZINC000565039603 321165482 /nfs/dbraw/zinc/16/54/82/321165482.db2.gz DERDMYVIYGLUGS-HOTGVXAUSA-N 2 0 325.497 1.759 20 0 EDADRP [NH3+][C@H]1C[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000565308451 321180849 /nfs/dbraw/zinc/18/08/49/321180849.db2.gz VEGQSQADJPZOBO-HDICACEKSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000566087963 321214328 /nfs/dbraw/zinc/21/43/28/321214328.db2.gz HZXGOUKPVBAXBK-OLZOCXBDSA-N 2 0 332.473 1.810 20 0 EDADRP CCCCO[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299622008 444097863 /nfs/dbraw/zinc/09/78/63/444097863.db2.gz ZUSDYVHKKGAGPK-KRWDZBQOSA-N 2 0 348.491 1.915 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CCC(OC(F)F)CC1 ZINC000568542721 321296378 /nfs/dbraw/zinc/29/63/78/321296378.db2.gz CNQSOEDJIOHXCH-UHFFFAOYSA-N 2 0 335.439 1.736 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000568998077 321313969 /nfs/dbraw/zinc/31/39/69/321313969.db2.gz VRDHTMLNGBDQCD-AZUAARDMSA-N 2 0 342.487 1.896 20 0 EDADRP OCCN1CCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000569472526 321326748 /nfs/dbraw/zinc/32/67/48/321326748.db2.gz ASDMJMDIONMKDS-KPFFTGBYSA-N 2 0 345.487 1.679 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)C1 ZINC000285787574 444107750 /nfs/dbraw/zinc/10/77/50/444107750.db2.gz OGNSQHYWPWTXBV-DOTOQJQBSA-N 2 0 347.459 1.724 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)ccn2)CC1 ZINC000278284659 444129030 /nfs/dbraw/zinc/12/90/30/444129030.db2.gz QKPMJJBHHLWOBG-JQHSSLGASA-N 2 0 330.476 1.737 20 0 EDADRP Cc1ccc(CN2CCOCC2)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000285854494 444129855 /nfs/dbraw/zinc/12/98/55/444129855.db2.gz YBSFHEDZIFWWGW-MRXNPFEDSA-N 2 0 333.432 1.144 20 0 EDADRP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1-n1cncn1 ZINC000282314270 444146153 /nfs/dbraw/zinc/14/61/53/444146153.db2.gz KPVYQVFZVZAGJT-UHFFFAOYSA-N 2 0 342.491 1.691 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)nc1 ZINC000299712780 444122517 /nfs/dbraw/zinc/12/25/17/444122517.db2.gz JCWYJIFXTMMTSJ-MRXNPFEDSA-N 2 0 334.464 1.578 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000576592728 321580079 /nfs/dbraw/zinc/58/00/79/321580079.db2.gz WUBWWZHVFYKGHC-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000290049167 444235266 /nfs/dbraw/zinc/23/52/66/444235266.db2.gz DYQJSZHACDBNIP-FUHWJXTLSA-N 2 0 345.491 1.084 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[N@H+](CCC[NH3+])Cc2ccccc2)C1 ZINC000303989249 444239587 /nfs/dbraw/zinc/23/95/87/444239587.db2.gz REONNULUZPIXQB-KRWDZBQOSA-N 2 0 339.505 1.509 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000304023248 444240775 /nfs/dbraw/zinc/24/07/75/444240775.db2.gz YPIFMIYGKWRZOG-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334895 321759430 /nfs/dbraw/zinc/75/94/30/321759430.db2.gz YNWRFVRCNWQLKV-CJNGLKHVSA-N 2 0 328.526 1.501 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000325173382 444362043 /nfs/dbraw/zinc/36/20/43/444362043.db2.gz WLNSESBHTZMNMK-INIZCTEOSA-N 2 0 330.436 1.050 20 0 EDADRP CC1CC[NH+](CCCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000325816715 444369510 /nfs/dbraw/zinc/36/95/10/444369510.db2.gz MFCSWSBIWFTPAJ-GPMSIDNRSA-N 2 0 337.508 1.757 20 0 EDADRP COC(C)(C)[C@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000340236507 444373267 /nfs/dbraw/zinc/37/32/67/444373267.db2.gz QSZFBQJKGHVWFM-INIZCTEOSA-N 2 0 335.496 1.782 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000340470989 444391392 /nfs/dbraw/zinc/39/13/92/444391392.db2.gz AMWMVJJVQIKWMY-BBWFWOEESA-N 2 0 345.553 1.204 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H](O)C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000580065001 322004107 /nfs/dbraw/zinc/00/41/07/322004107.db2.gz FZWFNNBZSAJBEQ-HZPDHXFCSA-N 2 0 345.409 1.878 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)CSCC2CC[NH2+]CC2)C1 ZINC000580949948 322116219 /nfs/dbraw/zinc/11/62/19/322116219.db2.gz CBWRQWTYCQQCEL-INIZCTEOSA-N 2 0 343.537 1.192 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(c3ccc(F)cc3F)CC2)CC1 ZINC000581186029 322146254 /nfs/dbraw/zinc/14/62/54/322146254.db2.gz KKQIWEOAJLKAMW-OAHLLOKOSA-N 2 0 339.430 1.194 20 0 EDADRP COc1cc(NC2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000581887062 322229146 /nfs/dbraw/zinc/22/91/46/322229146.db2.gz CIEKBRPAZBULDK-UHFFFAOYSA-N 2 0 348.491 1.485 20 0 EDADRP Cc1ccc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000581935852 322234903 /nfs/dbraw/zinc/23/49/03/322234903.db2.gz JREMWLMVKSOYHW-UHFFFAOYSA-N 2 0 341.521 1.558 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000338154176 444539598 /nfs/dbraw/zinc/53/95/98/444539598.db2.gz OXPKKKPKBZOFDB-UHFFFAOYSA-N 2 0 335.448 1.141 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000338240877 444583259 /nfs/dbraw/zinc/58/32/59/444583259.db2.gz YRNIYVDSESCDJP-LJQANCHMSA-N 2 0 335.467 1.793 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342288865 444615458 /nfs/dbraw/zinc/61/54/58/444615458.db2.gz ADMJCIGYCKJOHO-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H]1C ZINC000343916186 444666602 /nfs/dbraw/zinc/66/66/02/444666602.db2.gz KWOYGUKINVHPSE-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)[NH+](C)C ZINC000341107613 444677626 /nfs/dbraw/zinc/67/76/26/444677626.db2.gz WYUDYWFNPNSGLV-GOSISDBHSA-N 2 0 338.540 1.590 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@H]2C[NH2+]CCCO2)([NH+](C)C)C1 ZINC000333855607 444703152 /nfs/dbraw/zinc/70/31/52/444703152.db2.gz YFBDYDPFZRQSMX-BFYDXBDKSA-N 2 0 326.485 1.175 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333901951 444713997 /nfs/dbraw/zinc/71/39/97/444713997.db2.gz ZJMNZFGVJMHANU-KSZLIROESA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C[C@@H]1[NH3+] ZINC000333945707 444725937 /nfs/dbraw/zinc/72/59/37/444725937.db2.gz TXBMQNUVYHNFIT-YCPHGPKFSA-N 2 0 336.505 1.949 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000341203569 444726730 /nfs/dbraw/zinc/72/67/30/444726730.db2.gz OLOQLOTUGHFHBB-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@@H](n2cncn2)C1 ZINC000333758318 444695465 /nfs/dbraw/zinc/69/54/65/444695465.db2.gz ADQOLLJDJVIONG-VVUWUOFOSA-N 2 0 346.523 1.814 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CO)C[C@H](O)C(C)(C)C ZINC000341253222 444749217 /nfs/dbraw/zinc/74/92/17/444749217.db2.gz ARDOTUSGVVDZQN-RDJZCZTQSA-N 2 0 332.448 1.823 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000625540437 450416689 /nfs/dbraw/zinc/41/66/89/450416689.db2.gz ITLIUSFXSTTYHK-MWDXBVQZSA-N 2 0 327.513 1.778 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@H](O)CC(F)(F)F ZINC000344157673 444812658 /nfs/dbraw/zinc/81/26/58/444812658.db2.gz WDYQHQQIYCDCCX-CQSZACIVSA-N 2 0 325.419 1.649 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000341423542 444821739 /nfs/dbraw/zinc/82/17/39/444821739.db2.gz LEDLLJMDTZNISY-IAGOWNOFSA-N 2 0 326.529 1.497 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H](C)CS(C)(=O)=O ZINC000344171095 444819850 /nfs/dbraw/zinc/81/98/50/444819850.db2.gz PDMYCLGQRRTKHR-MRXNPFEDSA-N 2 0 333.542 1.017 20 0 EDADRP CC[N@H+](CC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)C1CC1 ZINC000344241275 444858123 /nfs/dbraw/zinc/85/81/23/444858123.db2.gz AILZDHORMBLZNA-UHFFFAOYSA-N 2 0 336.524 1.488 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCO[C@H](C)C2)[C@H](C)C1 ZINC000337320531 445032592 /nfs/dbraw/zinc/03/25/92/445032592.db2.gz PEYLTSWAINDHOK-KURKYZTESA-N 2 0 327.513 1.434 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000343013948 445006418 /nfs/dbraw/zinc/00/64/18/445006418.db2.gz HAFGGZORCYZIID-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000343088040 445052901 /nfs/dbraw/zinc/05/29/01/445052901.db2.gz LULOQBJHWXZHGU-MNEFBYGVSA-N 2 0 345.487 1.457 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CC1 ZINC000344559098 445059256 /nfs/dbraw/zinc/05/92/56/445059256.db2.gz ZFVJKZCMCDHEJW-UHFFFAOYSA-N 2 0 344.415 1.352 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000337450057 445086361 /nfs/dbraw/zinc/08/63/61/445086361.db2.gz DWNYXNQCMWHMCT-QGZVFWFLSA-N 2 0 345.553 1.302 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)ccn1 ZINC000344640050 445099607 /nfs/dbraw/zinc/09/96/07/445099607.db2.gz HTUBFAIHYWADCT-MRXNPFEDSA-N 2 0 348.491 1.872 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C1 ZINC000346225542 445208636 /nfs/dbraw/zinc/20/86/36/445208636.db2.gz ZRRJSMLXWRXJTR-BZUAXINKSA-N 2 0 326.485 1.079 20 0 EDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000346694773 445223123 /nfs/dbraw/zinc/22/31/23/445223123.db2.gz WDKHDIVKYTVZAQ-XMTFNYHQSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)[C@H](C)C1 ZINC000354532679 445283453 /nfs/dbraw/zinc/28/34/53/445283453.db2.gz KKXUHOLSMBAHME-XNIRIUNOSA-N 2 0 340.512 1.203 20 0 EDADRP C[N@H+](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@H]1CCSC1 ZINC000343664597 445290757 /nfs/dbraw/zinc/29/07/57/445290757.db2.gz KDNAEJDBSYJFER-HNNXBMFYSA-N 2 0 341.521 1.185 20 0 EDADRP C[C@@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000343686945 445303266 /nfs/dbraw/zinc/30/32/66/445303266.db2.gz WDTVLWSXVYWUND-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NC(=O)Nc1ccccc1 ZINC000357076181 445410471 /nfs/dbraw/zinc/41/04/71/445410471.db2.gz IEZRFVLGLCFABN-HNNXBMFYSA-N 2 0 330.432 1.656 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCCS(=O)(=O)NC)CC1)CC1CC1 ZINC000357081789 445414970 /nfs/dbraw/zinc/41/49/70/445414970.db2.gz IHFMCIOMSSGIER-UHFFFAOYSA-N 2 0 345.553 1.760 20 0 EDADRP C[NH+](C/C=C\C[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000357035951 445387805 /nfs/dbraw/zinc/38/78/05/445387805.db2.gz JFYBIPAWDIUSCY-ARJAWSKDSA-N 2 0 326.448 1.472 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)c1 ZINC000362547444 445433621 /nfs/dbraw/zinc/43/36/21/445433621.db2.gz JCWPYOGPNXSAIP-CYBMUJFWSA-N 2 0 343.431 1.679 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000352060496 445465192 /nfs/dbraw/zinc/46/51/92/445465192.db2.gz UKGIXJZTZHXHEQ-SJORKVTESA-N 2 0 326.529 1.541 20 0 EDADRP C[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000357249927 445507720 /nfs/dbraw/zinc/50/77/20/445507720.db2.gz SQTILLPFPBGGHW-BBRMVZONSA-N 2 0 332.448 1.386 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2(C[NH+](C)C)CCCC2)C1 ZINC000352521482 445535191 /nfs/dbraw/zinc/53/51/91/445535191.db2.gz JFPFCNVKQGIXSX-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP CCN(C)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000349063573 445492362 /nfs/dbraw/zinc/49/23/62/445492362.db2.gz QKPZKRXXDOGKLG-UHFFFAOYSA-N 2 0 345.535 1.997 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CCOC1C[NH2+]C1 ZINC000349063063 445492771 /nfs/dbraw/zinc/49/27/71/445492771.db2.gz YIDMGLCLBZESLP-UHFFFAOYSA-N 2 0 349.500 1.861 20 0 EDADRP C[C@@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000357243081 445502146 /nfs/dbraw/zinc/50/21/46/445502146.db2.gz PYLMUWMUCIXCKB-QGZVFWFLSA-N 2 0 344.503 1.166 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000360081849 445556453 /nfs/dbraw/zinc/55/64/53/445556453.db2.gz HVPAUKWCQOPMBN-UHFFFAOYSA-N 2 0 332.492 1.214 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360125101 445581864 /nfs/dbraw/zinc/58/18/64/445581864.db2.gz NQTPXWOVHOUCEB-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000358128970 445605800 /nfs/dbraw/zinc/60/58/00/445605800.db2.gz DHQSLSSBHOOJHI-IAGOWNOFSA-N 2 0 340.512 1.469 20 0 EDADRP O=C([C@@H]1CCCc2nccn21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000362914486 445608298 /nfs/dbraw/zinc/60/82/98/445608298.db2.gz XMAVFCZXPATFRT-CVEARBPZSA-N 2 0 332.448 1.474 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000356089734 445613952 /nfs/dbraw/zinc/61/39/52/445613952.db2.gz KDUVEQVQARSXJV-CQSZACIVSA-N 2 0 340.512 1.212 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000358272757 445614419 /nfs/dbraw/zinc/61/44/19/445614419.db2.gz IRGPHUPZGPEIOU-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000358610691 445674660 /nfs/dbraw/zinc/67/46/60/445674660.db2.gz VSLXQAYOWILEQS-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP CCc1nc([C@@H]2CCCN([C@H](C)C(=O)N3CCN(CC)CC3)C2)no1 ZINC000363107250 445680595 /nfs/dbraw/zinc/68/05/95/445680595.db2.gz DQTALJHZFPPYER-HUUCEWRRSA-N 2 0 349.479 1.364 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000356223308 445684413 /nfs/dbraw/zinc/68/44/13/445684413.db2.gz KSKDDDBMCKVYEQ-UHFFFAOYSA-N 2 0 339.443 1.273 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000349854205 445699787 /nfs/dbraw/zinc/69/97/87/445699787.db2.gz UXRNARICZDMFPE-INIZCTEOSA-N 2 0 328.464 1.383 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000363181016 445711266 /nfs/dbraw/zinc/71/12/66/445711266.db2.gz PNCVZDGEHQQHGB-UHFFFAOYSA-N 2 0 340.512 1.616 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000356284253 445717281 /nfs/dbraw/zinc/71/72/81/445717281.db2.gz SVZFUXHEQCYBAL-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+](C(C)C)C2)C1 ZINC000349929659 445723897 /nfs/dbraw/zinc/72/38/97/445723897.db2.gz CKJCAXYRJSWUMJ-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000349955646 445733123 /nfs/dbraw/zinc/73/31/23/445733123.db2.gz ZMXREZOAGOAIOR-IXDOHACOSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360982473 445742422 /nfs/dbraw/zinc/74/24/22/445742422.db2.gz CPQUJFQEOBTHGA-JCGIZDLHSA-N 2 0 332.492 1.739 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CCC[C@H]2Cn2ccnc2C(C)C)C1 ZINC000363347704 445774524 /nfs/dbraw/zinc/77/45/24/445774524.db2.gz AACYNGUZSAHDTC-HOTGVXAUSA-N 2 0 334.464 1.718 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c2ncccc12 ZINC000353798823 445761518 /nfs/dbraw/zinc/76/15/18/445761518.db2.gz BRCIRJYGTIVQGP-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CCC[C@@H]2Cn2ccnc2C(C)C)C1 ZINC000363347703 445774806 /nfs/dbraw/zinc/77/48/06/445774806.db2.gz AACYNGUZSAHDTC-CVEARBPZSA-N 2 0 334.464 1.718 20 0 EDADRP CC1CC[NH+](CC(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000356489450 445818213 /nfs/dbraw/zinc/81/82/13/445818213.db2.gz YYTPLTFRVHEFDM-UHFFFAOYSA-N 2 0 334.464 1.370 20 0 EDADRP C[C@@H](CCc1ccccc1)[N@@H+]1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363492975 445829513 /nfs/dbraw/zinc/82/95/13/445829513.db2.gz KDLDTYACOPKJCE-AZUAARDMSA-N 2 0 331.504 1.956 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc2c(c1)COC2 ZINC000361484993 445783119 /nfs/dbraw/zinc/78/31/19/445783119.db2.gz LQGCEHDRGPNGKF-QGZVFWFLSA-N 2 0 347.503 1.758 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000356509909 445832384 /nfs/dbraw/zinc/83/23/84/445832384.db2.gz UYVDNMGBEKFOEY-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCC(=O)NC2CCCC2)C1 ZINC000350261275 445803060 /nfs/dbraw/zinc/80/30/60/445803060.db2.gz XDVRIQZDTIAVIS-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000350321660 445811660 /nfs/dbraw/zinc/81/16/60/445811660.db2.gz RQQISCGWQNBTOX-IBGZPJMESA-N 2 0 344.503 1.345 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000350731447 445890949 /nfs/dbraw/zinc/89/09/49/445890949.db2.gz AFKPSHMPPHRIIB-UHFFFAOYSA-N 2 0 348.413 1.797 20 0 EDADRP COC1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000361725260 445899876 /nfs/dbraw/zinc/89/98/76/445899876.db2.gz DFMPPPGCAYHXGX-GOSISDBHSA-N 2 0 345.487 1.783 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000361727838 445901451 /nfs/dbraw/zinc/90/14/51/445901451.db2.gz MTWUQDPMEIUYMM-INIZCTEOSA-N 2 0 346.479 1.293 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](C[C@@H](O)CN3CCCC3=O)CC2)CC1 ZINC000369212620 445997928 /nfs/dbraw/zinc/99/79/28/445997928.db2.gz RJCISISMTHEDIX-GOSISDBHSA-N 2 0 337.508 1.414 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000361792780 445951698 /nfs/dbraw/zinc/95/16/98/445951698.db2.gz QTPRHPQTADCJCA-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000361852823 446005868 /nfs/dbraw/zinc/00/58/68/446005868.db2.gz YKPNKLKNROMPID-OAHLLOKOSA-N 2 0 336.455 1.993 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000583253422 326035277 /nfs/dbraw/zinc/03/52/77/326035277.db2.gz RROYSKXROOFKHK-QGZVFWFLSA-N 2 0 346.475 1.665 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000583360009 326056064 /nfs/dbraw/zinc/05/60/64/326056064.db2.gz BAINHYJBWONVOS-HNNXBMFYSA-N 2 0 334.468 1.394 20 0 EDADRP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000359223437 446054097 /nfs/dbraw/zinc/05/40/97/446054097.db2.gz RZLCKGSBZRWYIX-RHSMWYFYSA-N 2 0 346.475 1.883 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000583555172 326095066 /nfs/dbraw/zinc/09/50/66/326095066.db2.gz HFYXWLVEAMFYRZ-AZUAARDMSA-N 2 0 345.487 1.830 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3CCN(C)[C@@H](C)C3)CC2)c1=O ZINC000365154453 446057172 /nfs/dbraw/zinc/05/71/72/446057172.db2.gz IGNZHNUMQSUTPA-GOEBONIOSA-N 2 0 333.480 1.304 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CCC[C@@H](N4CCOCC4)CC3)ccc21 ZINC000583944952 326171405 /nfs/dbraw/zinc/17/14/05/326171405.db2.gz BOCJHIVYJCRQKP-MRXNPFEDSA-N 2 0 329.448 1.655 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)c1 ZINC000584111095 326201918 /nfs/dbraw/zinc/20/19/18/326201918.db2.gz LQPJVFVCDNTTTI-DDUZABMNSA-N 2 0 332.448 1.614 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC000366191072 446073665 /nfs/dbraw/zinc/07/36/65/446073665.db2.gz JJMIIKGZXFDUQY-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000373192726 446088889 /nfs/dbraw/zinc/08/88/89/446088889.db2.gz WANBEVVFQGANJD-CEXWTWQISA-N 2 0 344.503 1.895 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000354355012 446138321 /nfs/dbraw/zinc/13/83/21/446138321.db2.gz ZQXCYRINYAZEPD-UHFFFAOYSA-N 2 0 349.866 1.715 20 0 EDADRP C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000356904459 446110704 /nfs/dbraw/zinc/11/07/04/446110704.db2.gz TZUKRZJFXAHRNW-QXAKKESOSA-N 2 0 347.503 1.680 20 0 EDADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000351573022 446169736 /nfs/dbraw/zinc/16/97/36/446169736.db2.gz TVSAEOXGIQXIFG-KRWDZBQOSA-N 2 0 344.459 1.479 20 0 EDADRP Cc1ccc(NCCCNC(=O)NC[C@@H]2CCn3ccnc3C2)nc1 ZINC000370173020 446188873 /nfs/dbraw/zinc/18/88/73/446188873.db2.gz MDOGBPYXMGEZMI-OAHLLOKOSA-N 2 0 342.447 1.950 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(OC(F)F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359317751 446145417 /nfs/dbraw/zinc/14/54/17/446145417.db2.gz YDKHCCSBGSVSRK-SDDRHHMPSA-N 2 0 325.359 1.766 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000373396177 446199603 /nfs/dbraw/zinc/19/96/03/446199603.db2.gz SWAIEWGRXJPCNS-IAGOWNOFSA-N 2 0 336.480 1.048 20 0 EDADRP O=C(CC[N@@H+]1CC[C@@H](OCCCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000351620369 446214641 /nfs/dbraw/zinc/21/46/41/446214641.db2.gz PGRGCNGAJGYWIE-LJQANCHMSA-N 2 0 345.487 1.532 20 0 EDADRP CO[C@@H]1CC[N@H+](CC(=O)N2CCN([C@@H](C)c3ccccc3)CC2)C1 ZINC000362191189 446253462 /nfs/dbraw/zinc/25/34/62/446253462.db2.gz UFBISEWCZKBRMR-FUHWJXTLSA-N 2 0 331.460 1.613 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)CC[NH2+]1 ZINC000373562576 446262307 /nfs/dbraw/zinc/26/23/07/446262307.db2.gz UTGJWJBQYYKMCL-MPTYRVRUSA-N 2 0 333.480 1.307 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@H]2COCCN2CC2CCC2)CC1 ZINC000373579968 446269264 /nfs/dbraw/zinc/26/92/64/446269264.db2.gz DXBFMHUQDHJFLU-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000365620704 446276795 /nfs/dbraw/zinc/27/67/95/446276795.db2.gz OTAWWKRUHDQHTD-UHFFFAOYSA-N 2 0 328.501 1.472 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCCC[NH3+])CC2)cc1 ZINC000417338838 446347661 /nfs/dbraw/zinc/34/76/61/446347661.db2.gz ZHXQJQWONRYHCP-UHFFFAOYSA-N 2 0 334.464 1.555 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417337852 446347687 /nfs/dbraw/zinc/34/76/87/446347687.db2.gz JKLWTLAHJKKTQA-AYOQOUSVSA-N 2 0 342.487 1.684 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000366745316 446332210 /nfs/dbraw/zinc/33/22/10/446332210.db2.gz MNQHSHJQWFMQDM-SQNIBIBYSA-N 2 0 337.508 1.330 20 0 EDADRP CN(c1ccccc1C[NH2+]CC[C@@H]1CCC(=O)N1)C1CC[NH+](C)CC1 ZINC000370580012 446341371 /nfs/dbraw/zinc/34/13/71/446341371.db2.gz PNDHYBOTUJXOSR-KRWDZBQOSA-N 2 0 344.503 1.975 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417332383 446345419 /nfs/dbraw/zinc/34/54/19/446345419.db2.gz QYSPRWNSQAQSPT-ZJIFWQFVSA-N 2 0 326.485 1.255 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCC[C@@H](C)[NH3+])CC2)cc1 ZINC000417334667 446345871 /nfs/dbraw/zinc/34/58/71/446345871.db2.gz RKULRRRZDIMXBV-OAHLLOKOSA-N 2 0 348.491 1.944 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000370604131 446353548 /nfs/dbraw/zinc/35/35/48/446353548.db2.gz OAZPTBIKIGGLJW-INIZCTEOSA-N 2 0 330.432 1.081 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417768411 446373033 /nfs/dbraw/zinc/37/30/33/446373033.db2.gz FGIWJCQGFFFPFD-INIZCTEOSA-N 2 0 347.503 1.913 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417773131 446373348 /nfs/dbraw/zinc/37/33/48/446373348.db2.gz WERIUDZNYYUZST-INIZCTEOSA-N 2 0 339.528 1.091 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417910927 446383353 /nfs/dbraw/zinc/38/33/53/446383353.db2.gz LVXYTEDRIBPXJM-QMCVQRASSA-N 2 0 338.496 1.194 20 0 EDADRP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CO1 ZINC000417916957 446384756 /nfs/dbraw/zinc/38/47/56/446384756.db2.gz VSISVVYUURDDMZ-INIZCTEOSA-N 2 0 333.480 1.536 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)cc1F ZINC000417924714 446386282 /nfs/dbraw/zinc/38/62/82/446386282.db2.gz BDNXMKUEEFRXDC-CQSZACIVSA-N 2 0 344.381 1.684 20 0 EDADRP CN(C)C(=O)c1ccccc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000417922690 446386887 /nfs/dbraw/zinc/38/68/87/446386887.db2.gz FUTLCUVHWMPMMN-KRWDZBQOSA-N 2 0 333.476 1.715 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1F ZINC000417934408 446391395 /nfs/dbraw/zinc/39/13/95/446391395.db2.gz OOOVWPHZXHXBJF-UHFFFAOYSA-N 2 0 334.439 1.996 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1COC(C)(C)C1 ZINC000417959122 446400782 /nfs/dbraw/zinc/40/07/82/446400782.db2.gz WCCHATDJMMWRPH-IRXDYDNUSA-N 2 0 333.476 1.433 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000418059537 446427575 /nfs/dbraw/zinc/42/75/75/446427575.db2.gz UOYSOJXDSZWLPN-UHFFFAOYSA-N 2 0 330.476 1.900 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778569 446436387 /nfs/dbraw/zinc/43/63/87/446436387.db2.gz GKPWGWZQMKZNAR-OXJNMPFZSA-N 2 0 345.487 1.566 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000423156737 446442268 /nfs/dbraw/zinc/44/22/68/446442268.db2.gz UDWACBMWJLVLKK-WBQJQJEBSA-N 2 0 343.471 1.695 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418181202 446448168 /nfs/dbraw/zinc/44/81/68/446448168.db2.gz KZHSJTFFPUQNGY-RANZSIQMSA-N 2 0 330.476 1.929 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417992963 446409809 /nfs/dbraw/zinc/40/98/09/446409809.db2.gz NGBSPFKXCGIZEO-MSOLQXFVSA-N 2 0 348.491 1.426 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C[C@@H]2CCC[NH2+]2)[C@H](c2ccccc2)C1 ZINC000370765724 446424793 /nfs/dbraw/zinc/42/47/93/446424793.db2.gz GYMMMZMNOPGILU-ROUUACIJSA-N 2 0 330.476 1.233 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CCC[NH2+]1 ZINC000418050571 446425650 /nfs/dbraw/zinc/42/56/50/446425650.db2.gz WPMRRLTXJJZTMN-DOTOQJQBSA-N 2 0 326.485 1.319 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418205171 446456870 /nfs/dbraw/zinc/45/68/70/446456870.db2.gz QVECIHWLUWXPQF-UAGQMJEPSA-N 2 0 340.512 1.645 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418251007 446473239 /nfs/dbraw/zinc/47/32/39/446473239.db2.gz XMEGGCROAXSAOQ-HUUCEWRRSA-N 2 0 326.485 1.112 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000420314998 446480635 /nfs/dbraw/zinc/48/06/35/446480635.db2.gz RIVLMVXLADQDKO-ZWKOTPCHSA-N 2 0 332.492 1.479 20 0 EDADRP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC[NH2+]CC2)C3)cc1 ZINC000423204166 446453732 /nfs/dbraw/zinc/45/37/32/446453732.db2.gz NWEFXDHYZKYQCK-OWZKRDHZSA-N 3 0 328.504 1.677 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423309989 446483534 /nfs/dbraw/zinc/48/35/34/446483534.db2.gz QZDPBJZCGYJYNP-HOTGVXAUSA-N 2 0 347.507 1.881 20 0 EDADRP Cc1nccnc1N1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000367049395 446489775 /nfs/dbraw/zinc/48/97/75/446489775.db2.gz FMIPBQKZJNXCLA-UHFFFAOYSA-N 2 0 346.523 1.323 20 0 EDADRP CCC(CC)[C@H](CNC(=O)[C@H](N)c1cscn1)N1CCOCC1 ZINC000423333324 446491599 /nfs/dbraw/zinc/49/15/99/446491599.db2.gz VVRMAECVERDYJN-LSDHHAIUSA-N 2 0 340.493 1.396 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC1CC[NH2+]CC1 ZINC000418315026 446496188 /nfs/dbraw/zinc/49/61/88/446496188.db2.gz YBYJJQIVGNGGPS-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000420325927 446493898 /nfs/dbraw/zinc/49/38/98/446493898.db2.gz WWJUOBGZSWSYRD-CGTJXYLNSA-N 2 0 335.492 1.515 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418311515 446494090 /nfs/dbraw/zinc/49/40/90/446494090.db2.gz FYMKBRYVHOPWLM-SFHVURJKSA-N 2 0 330.476 1.904 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000418311043 446494972 /nfs/dbraw/zinc/49/49/72/446494972.db2.gz FFPVPFBUWOAXMM-CABCVRRESA-N 2 0 326.485 1.135 20 0 EDADRP COc1cc(C[NH+]2C[C@@H](O)C[C@H]2C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772980 446501905 /nfs/dbraw/zinc/50/19/05/446501905.db2.gz YTOQFOHZAWGWJX-PURYLZLUSA-N 2 0 334.460 1.605 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000420331990 446502494 /nfs/dbraw/zinc/50/24/94/446502494.db2.gz RCQKDTVSOWDBIF-AEFFLSMTSA-N 2 0 335.423 1.270 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367096223 446506259 /nfs/dbraw/zinc/50/62/59/446506259.db2.gz JBSXBQIRQVUSTG-WCXIOVBPSA-N 2 0 336.480 1.118 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420337026 446507721 /nfs/dbraw/zinc/50/77/21/446507721.db2.gz WGVZKWPIHWYKKH-SJORKVTESA-N 3 0 333.476 1.425 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423385095 446511507 /nfs/dbraw/zinc/51/15/07/446511507.db2.gz GIAHQLANSBOWOB-CRAIPNDOSA-N 2 0 335.448 1.467 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000418354931 446511658 /nfs/dbraw/zinc/51/16/58/446511658.db2.gz FEUMQPAOUDHJRE-INIZCTEOSA-N 2 0 339.528 1.042 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420341452 446512772 /nfs/dbraw/zinc/51/27/72/446512772.db2.gz OOFAKUGFVCFRFT-ZWKOTPCHSA-N 2 0 345.487 1.675 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420342306 446513129 /nfs/dbraw/zinc/51/31/29/446513129.db2.gz PGNADXYOAYYVJC-DLBZAZTESA-N 2 0 331.460 1.633 20 0 EDADRP C[NH2+]CCNC(=O)N(CC[NH+](C)C)Cc1cccc(C(F)(F)F)c1 ZINC000418329225 446501021 /nfs/dbraw/zinc/50/10/21/446501021.db2.gz OIHLCZIRNPKAGD-UHFFFAOYSA-N 2 0 346.397 1.998 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420383525 446558649 /nfs/dbraw/zinc/55/86/49/446558649.db2.gz QWYAFUNLMZPWIZ-WMZOPIPTSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)cc1 ZINC000418497302 446566395 /nfs/dbraw/zinc/56/63/95/446566395.db2.gz WCEWTCJKXUHBGV-CABCVRRESA-N 2 0 348.491 1.693 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2nsnc21 ZINC000420346601 446518709 /nfs/dbraw/zinc/51/87/09/446518709.db2.gz YWAVUKRWPLOSRD-CHWSQXEVSA-N 2 0 345.472 1.951 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418402346 446530696 /nfs/dbraw/zinc/53/06/96/446530696.db2.gz ZDNYEBDWYOERMX-VQIMIIECSA-N 2 0 348.491 1.120 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426603 446530783 /nfs/dbraw/zinc/53/07/83/446530783.db2.gz NAFPKJPOVDWHTC-OUUBHVDSSA-N 2 0 329.488 1.457 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418409630 446533179 /nfs/dbraw/zinc/53/31/79/446533179.db2.gz VNTGKKKUYKYFNI-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC000433134660 446534012 /nfs/dbraw/zinc/53/40/12/446534012.db2.gz HCODNZSZSKPJNP-SFHVURJKSA-N 2 0 349.450 1.929 20 0 EDADRP CC(C)([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418415198 446535072 /nfs/dbraw/zinc/53/50/72/446535072.db2.gz NEPJWYURJYLXEC-IRXDYDNUSA-N 2 0 330.476 1.887 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418416243 446536727 /nfs/dbraw/zinc/53/67/27/446536727.db2.gz UBLOLQGSCWWIEI-HOTGVXAUSA-N 2 0 328.501 1.504 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000423438941 446538177 /nfs/dbraw/zinc/53/81/77/446538177.db2.gz VWHZQYIAQNIZRV-HOTGVXAUSA-N 2 0 340.512 1.009 20 0 EDADRP Fc1ccc(N2CCC([NH2+]C[C@@H]3C[NH2+]CCCO3)CC2)c(F)c1 ZINC000423499384 446555466 /nfs/dbraw/zinc/55/54/66/446555466.db2.gz CJMURNPMKIECDB-HNNXBMFYSA-N 2 0 325.403 1.902 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418615838 446617134 /nfs/dbraw/zinc/61/71/34/446617134.db2.gz HNIQIUNEQYDCTM-MRXNPFEDSA-N 2 0 339.528 1.219 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[NH2+]CCOC)CC[N@@H+]1Cc1ccccc1 ZINC000418504353 446569586 /nfs/dbraw/zinc/56/95/86/446569586.db2.gz BMHNLAHBDOOBIS-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NCC3([NH3+])CCC3)CC2)cc1 ZINC000418506368 446571373 /nfs/dbraw/zinc/57/13/73/446571373.db2.gz GHHAIRCGLDSQIQ-UHFFFAOYSA-N 2 0 346.475 1.794 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@H](C[NH+](C)C)C2)CCCO1 ZINC000433465768 446578373 /nfs/dbraw/zinc/57/83/73/446578373.db2.gz IXWIJISRDNHNQX-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418538662 446585382 /nfs/dbraw/zinc/58/53/82/446585382.db2.gz DWKXBYFVHBMIGW-NVXWUHKLSA-N 2 0 333.480 1.815 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418564756 446596462 /nfs/dbraw/zinc/59/64/62/446596462.db2.gz USBRGKJNDRGILG-SJORKVTESA-N 2 0 348.491 1.767 20 0 EDADRP CC[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1N1CCOCC1 ZINC000368100802 446642440 /nfs/dbraw/zinc/64/24/40/446642440.db2.gz WIEWBMIPKBLZHV-PBHICJAKSA-N 2 0 332.448 1.330 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368104289 446643956 /nfs/dbraw/zinc/64/39/56/446643956.db2.gz DOSJIPWZLRZYFF-ZWKOTPCHSA-N 3 0 338.540 1.354 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000418743214 446664783 /nfs/dbraw/zinc/66/47/83/446664783.db2.gz SEHSLELWLGWALV-YESZJQIVSA-N 2 0 338.496 1.258 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])cn2)CC1 ZINC000423734582 446667844 /nfs/dbraw/zinc/66/78/44/446667844.db2.gz RAWCZJBPDZIDGU-QAPCUYQASA-N 2 0 331.464 1.680 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000371090144 446621186 /nfs/dbraw/zinc/62/11/86/446621186.db2.gz WKPQTGMCVZGJFU-FUHWJXTLSA-N 2 0 346.475 1.583 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000411793327 446675438 /nfs/dbraw/zinc/67/54/38/446675438.db2.gz INJZFGPHXXYZAL-IRXDYDNUSA-N 2 0 337.508 1.913 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)[NH2+]C ZINC000418632671 446623939 /nfs/dbraw/zinc/62/39/39/446623939.db2.gz WCWJKDKHXYFERJ-DOTOQJQBSA-N 2 0 333.480 1.685 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)nn1 ZINC000375291985 446699032 /nfs/dbraw/zinc/69/90/32/446699032.db2.gz JFEJRASUZDBHIR-YOEHRIQHSA-N 2 0 349.479 1.697 20 0 EDADRP CC[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000423817703 446707356 /nfs/dbraw/zinc/70/73/56/446707356.db2.gz CKCIDLLVWDWRFX-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@]1(F)CC[NH2+]C1 ZINC000371265002 446725924 /nfs/dbraw/zinc/72/59/24/446725924.db2.gz USZLJZZEQVUTME-GOSISDBHSA-N 2 0 334.439 1.017 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371271400 446730458 /nfs/dbraw/zinc/73/04/58/446730458.db2.gz QIVWNDVUZCQKFK-FHWLQOOXSA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000423754875 446683313 /nfs/dbraw/zinc/68/33/13/446683313.db2.gz ZHPWFAIUNJTAKE-ZDUSSCGKSA-N 2 0 325.403 1.855 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000368318513 446782536 /nfs/dbraw/zinc/78/25/36/446782536.db2.gz MJLCRQHHZSJIMU-SOLBZPMBSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418951598 446822450 /nfs/dbraw/zinc/82/24/50/446822450.db2.gz UOZTWUYIMRCAIK-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000424019575 446826655 /nfs/dbraw/zinc/82/66/55/446826655.db2.gz KIJJREYNWYCQJJ-ROUUACIJSA-N 2 0 331.460 1.475 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424038062 446828643 /nfs/dbraw/zinc/82/86/43/446828643.db2.gz LDPJXVHGIRRWJR-QGZVFWFLSA-N 3 0 330.476 1.238 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418931177 446807548 /nfs/dbraw/zinc/80/75/48/446807548.db2.gz CWYDVTKZSRHHAA-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)NCc1nc(C)n2c1CCCC2 ZINC000376936199 446807669 /nfs/dbraw/zinc/80/76/69/446807669.db2.gz XWDIETMDXRNSJH-KRWDZBQOSA-N 2 0 334.464 1.645 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424140036 446859971 /nfs/dbraw/zinc/85/99/71/446859971.db2.gz AWVURSUHGMVUBU-KFWWJZLASA-N 2 0 334.468 1.053 20 0 EDADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000368440309 446865065 /nfs/dbraw/zinc/86/50/65/446865065.db2.gz BWKMUOOUUCJVJO-WZGPROSRSA-N 2 0 337.508 1.724 20 0 EDADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000368440307 446865382 /nfs/dbraw/zinc/86/53/82/446865382.db2.gz BWKMUOOUUCJVJO-NXWXRZEISA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419014191 446867789 /nfs/dbraw/zinc/86/77/89/446867789.db2.gz HXFAMRTUWMRVFP-OAHLLOKOSA-N 2 0 346.475 1.094 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000419021521 446870831 /nfs/dbraw/zinc/87/08/31/446870831.db2.gz HALWTIFACLFCTJ-RBSFLKMASA-N 2 0 340.512 1.103 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419048331 446883960 /nfs/dbraw/zinc/88/39/60/446883960.db2.gz VLGBHTXJECMMOP-INMHGKMJSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610684 446914584 /nfs/dbraw/zinc/91/45/84/446914584.db2.gz PWJFECPNSILNND-CVEARBPZSA-N 2 0 339.528 1.137 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000454532730 446903568 /nfs/dbraw/zinc/90/35/68/446903568.db2.gz YYDVUVZVIBBRNG-PMPSAXMXSA-N 2 0 328.501 1.373 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1)CC(C)C ZINC000419123144 446936762 /nfs/dbraw/zinc/93/67/62/446936762.db2.gz GIZQWXYRAVTFHP-PMPSAXMXSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+])CC(C)C ZINC000419123899 446937635 /nfs/dbraw/zinc/93/76/35/446937635.db2.gz HHEBRSVOPJJQME-JYJNAYRXSA-N 2 0 340.512 1.103 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000419198170 447006571 /nfs/dbraw/zinc/00/65/71/447006571.db2.gz YQOIIYVKDJUXOJ-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000419222463 447016947 /nfs/dbraw/zinc/01/69/47/447016947.db2.gz XCWUDHVJLZWRHO-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000419158544 446975210 /nfs/dbraw/zinc/97/52/10/446975210.db2.gz WMASRCKTLGCLRI-CVEARBPZSA-N 2 0 340.512 1.104 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419161488 446977452 /nfs/dbraw/zinc/97/74/52/446977452.db2.gz JDUSZVHMEVGMEE-DOTOQJQBSA-N 2 0 348.491 1.113 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179612 446993514 /nfs/dbraw/zinc/99/35/14/446993514.db2.gz IQOYZIJAWZLBCR-ZBFHGGJFSA-N 2 0 338.496 1.014 20 0 EDADRP CCOC[C@@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C(C)C ZINC000375720535 447000411 /nfs/dbraw/zinc/00/04/11/447000411.db2.gz AOCIGNSBXPCFGC-IAGOWNOFSA-N 2 0 343.512 1.110 20 0 EDADRP COc1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059588 447001562 /nfs/dbraw/zinc/00/15/62/447001562.db2.gz NENVVAGZVAURQU-GJZGRUSLSA-N 2 0 349.475 1.769 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000443060125 447002195 /nfs/dbraw/zinc/00/21/95/447002195.db2.gz OESXMAIPDKLLIC-LJQANCHMSA-N 2 0 344.503 1.392 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000372472702 447072149 /nfs/dbraw/zinc/07/21/49/447072149.db2.gz MYLGXMGCMDBFSK-GVDBMIGSSA-N 2 0 338.496 1.080 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000372431473 447058300 /nfs/dbraw/zinc/05/83/00/447058300.db2.gz NBACUQCRABHWSW-BXWFABGCSA-N 2 0 343.427 1.534 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000372464514 447066115 /nfs/dbraw/zinc/06/61/15/447066115.db2.gz QOEXJELXTYZTPB-RUEZSYAVSA-N 2 0 337.508 1.756 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000419427673 447166938 /nfs/dbraw/zinc/16/69/38/447166938.db2.gz SHEASMKFFKMIPD-LSDHHAIUSA-N 2 0 346.475 1.313 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419419468 447162648 /nfs/dbraw/zinc/16/26/48/447162648.db2.gz ZAJRSAHSIMGZFD-ZBFHGGJFSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000368815024 447128474 /nfs/dbraw/zinc/12/84/74/447128474.db2.gz YHEKPQYZJGRHMS-ZMMAXQRCSA-N 2 0 334.508 1.003 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000419446428 447181362 /nfs/dbraw/zinc/18/13/62/447181362.db2.gz VJAYUISCWBCHMX-HOTGVXAUSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000419454019 447188459 /nfs/dbraw/zinc/18/84/59/447188459.db2.gz LEUOMUOQWZQSHY-YYIAUSFCSA-N 2 0 340.512 1.346 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCCC[NH+](C)C2CC2)C1 ZINC000455623595 447188538 /nfs/dbraw/zinc/18/85/38/447188538.db2.gz VVOZXWIOXHPSMF-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000419427672 447168131 /nfs/dbraw/zinc/16/81/31/447168131.db2.gz SHEASMKFFKMIPD-HUUCEWRRSA-N 2 0 346.475 1.313 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000425530437 447214959 /nfs/dbraw/zinc/21/49/59/447214959.db2.gz AUKFPVJWUFVQTF-OAHLLOKOSA-N 2 0 328.501 1.467 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458724734 447462692 /nfs/dbraw/zinc/46/26/92/447462692.db2.gz BOCFCKNJIOZFGP-JKSUJKDBSA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000415492897 447477325 /nfs/dbraw/zinc/47/73/25/447477325.db2.gz XRXFYJPCHAOWOE-MRXNPFEDSA-N 2 0 332.448 1.417 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458833224 447486298 /nfs/dbraw/zinc/48/62/98/447486298.db2.gz AFPJRINAKFOJIO-UHFFFAOYSA-N 2 0 342.528 1.718 20 0 EDADRP COC1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000389885367 447489220 /nfs/dbraw/zinc/48/92/20/447489220.db2.gz RAPXKNDMJDPCBP-NVXWUHKLSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@@H]3COCCO3)CC2)C[C@H](C)O1 ZINC000450477409 447502796 /nfs/dbraw/zinc/50/27/96/447502796.db2.gz WOCCSPIYGKCURJ-SOLBZPMBSA-N 2 0 326.481 1.613 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC[NH2+]CC1 ZINC000390926559 447505825 /nfs/dbraw/zinc/50/58/25/447505825.db2.gz JFDUJBRBEZBSLR-SFHVURJKSA-N 2 0 331.460 1.393 20 0 EDADRP O=C(CC[NH2+]C1CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390930254 447506624 /nfs/dbraw/zinc/50/66/24/447506624.db2.gz HYLYSHBOOCRIOK-GOSISDBHSA-N 2 0 331.460 1.536 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)[C@H](C)c3ccccc3)C2)CC1 ZINC000450388770 447474162 /nfs/dbraw/zinc/47/41/62/447474162.db2.gz JNTDBYXWVLVKOO-RLLQIKCJSA-N 2 0 331.504 1.863 20 0 EDADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N[C@H](C)C[NH3+])CC1)CC(C)C ZINC000420015765 447547823 /nfs/dbraw/zinc/54/78/23/447547823.db2.gz RFAPOOZKDSUSHI-OAHLLOKOSA-N 2 0 340.512 1.056 20 0 EDADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000459043465 447549990 /nfs/dbraw/zinc/54/99/90/447549990.db2.gz CYAPNRQYLABIFU-GJZGRUSLSA-N 2 0 337.468 1.356 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000420083087 447590666 /nfs/dbraw/zinc/59/06/66/447590666.db2.gz SDVPJRHQEWAUGY-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H](CNC(=O)N(C)C1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC000459059901 447557990 /nfs/dbraw/zinc/55/79/90/447557990.db2.gz NUYVBUXUUWDBEJ-LBPRGKRZSA-N 2 0 338.418 1.995 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000427264795 447571737 /nfs/dbraw/zinc/57/17/37/447571737.db2.gz IZMHUVXNOFWEMB-CVEARBPZSA-N 2 0 344.459 1.322 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000459261037 447624963 /nfs/dbraw/zinc/62/49/63/447624963.db2.gz LAOQCPIZZRQIMB-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416854695 447696875 /nfs/dbraw/zinc/69/68/75/447696875.db2.gz VDDZLZUYZWTGPU-RDJZCZTQSA-N 2 0 348.491 1.987 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@H]1SC ZINC000459412757 447656348 /nfs/dbraw/zinc/65/63/48/447656348.db2.gz RSCOMWVLIPISPC-GVDBMIGSSA-N 2 0 329.554 1.759 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC2(CC[NH2+]2)CC1 ZINC000422596200 447663723 /nfs/dbraw/zinc/66/37/23/447663723.db2.gz YAFUDMBLYIAWLX-OAHLLOKOSA-N 2 0 332.448 1.954 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000422699434 447719303 /nfs/dbraw/zinc/71/93/03/447719303.db2.gz AMVQRVAYHHLZAU-QGZVFWFLSA-N 2 0 344.463 1.440 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(CC(N)=O)C2)CC1 ZINC000459626234 447724426 /nfs/dbraw/zinc/72/44/26/447724426.db2.gz ZRCZVBWHHGSOPB-UHFFFAOYSA-N 2 0 330.476 1.526 20 0 EDADRP CC[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417020090 447730831 /nfs/dbraw/zinc/73/08/31/447730831.db2.gz RPIQUKROHQWWBU-ROUUACIJSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1[NH3+] ZINC000429176498 447733649 /nfs/dbraw/zinc/73/36/49/447733649.db2.gz OIRMFRFKUABHPT-SJLPKXTDSA-N 2 0 330.476 1.394 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422738995 447734542 /nfs/dbraw/zinc/73/45/42/447734542.db2.gz KPWVZSJPZLFBKR-QRVBRYPASA-N 2 0 344.503 1.657 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2COCCN2)[C@@H](C)C1 ZINC000422745101 447736101 /nfs/dbraw/zinc/73/61/01/447736101.db2.gz LOZGPWVVFIEQGI-MHORFTMASA-N 2 0 327.513 1.480 20 0 EDADRP COCCS(=O)(=O)c1ccc(CN[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000429431359 447748159 /nfs/dbraw/zinc/74/81/59/447748159.db2.gz YWDMHLZBFYIWSC-ZBFHGGJFSA-N 2 0 340.489 1.679 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422839971 447765712 /nfs/dbraw/zinc/76/57/12/447765712.db2.gz RPZSBIWTTOMIOL-SJORKVTESA-N 3 0 338.540 1.720 20 0 EDADRP O=C1O[C@]2(CN1CN1CCC[C@@H]1C[NH+]1CCCC1)C[NH+]1CCC2CC1 ZINC000496322699 447755723 /nfs/dbraw/zinc/75/57/23/447755723.db2.gz IMKIRHFSIWVJLY-MJGOQNOKSA-N 2 0 348.491 1.421 20 0 EDADRP Fc1ccc(N2CCN(CC[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000422814522 447757417 /nfs/dbraw/zinc/75/74/17/447757417.db2.gz VHFOUALOQITZIT-JWTNVVGKSA-N 2 0 332.467 1.820 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927330 447774084 /nfs/dbraw/zinc/77/40/84/447774084.db2.gz GBYJBDSHEQEFGS-CORIIIEPSA-N 2 0 340.851 1.996 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CN[C@H]2CCC[C@@H]2[NH3+])cc1 ZINC000422931587 447775443 /nfs/dbraw/zinc/77/54/43/447775443.db2.gz XWUFLQGGBCFEAF-HOTGVXAUSA-N 2 0 325.478 1.687 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422938421 447776916 /nfs/dbraw/zinc/77/69/16/447776916.db2.gz KSVFIYGWDULVRD-SRVKXCTJSA-N 2 0 331.254 1.904 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H](O)COc1ccccc1Br ZINC000422947314 447777396 /nfs/dbraw/zinc/77/73/96/447777396.db2.gz YFCGDNNTACGAQN-BZPMIXESSA-N 2 0 343.265 1.776 20 0 EDADRP O=C(NC1CC1)c1cccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)c1 ZINC000422950642 447778937 /nfs/dbraw/zinc/77/89/37/447778937.db2.gz YSTGDUDCAGBVLC-ZWKOTPCHSA-N 2 0 329.444 1.435 20 0 EDADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1OC ZINC000430969373 447788311 /nfs/dbraw/zinc/78/83/11/447788311.db2.gz ZTORUYDISYHPKM-CQSZACIVSA-N 2 0 349.475 1.721 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])c(C)s1 ZINC000422996218 447788691 /nfs/dbraw/zinc/78/86/91/447788691.db2.gz LJKAWSOEWNOIGL-KBPBESRZSA-N 2 0 345.534 1.750 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cnn3ccccc23)CC[NH2+]CC1 ZINC000423099179 447804479 /nfs/dbraw/zinc/80/44/79/447804479.db2.gz FBQXEHBRMYXDPJ-AWEZNQCLSA-N 2 0 330.432 1.745 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000487671939 447835553 /nfs/dbraw/zinc/83/55/53/447835553.db2.gz ZOYYDDCGLSSOEO-AITUJVMLSA-N 2 0 343.471 1.296 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000487692859 447836382 /nfs/dbraw/zinc/83/63/82/447836382.db2.gz SFZTVUTUTPSOPE-JKSUJKDBSA-N 2 0 326.485 1.004 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000489615832 447866286 /nfs/dbraw/zinc/86/62/86/447866286.db2.gz ZPZMLENGCDYFCP-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP CC[C@H](CSc1ccccc1)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000570066317 447942356 /nfs/dbraw/zinc/94/23/56/447942356.db2.gz JTYKRDVWUVGVRZ-HUUCEWRRSA-N 2 0 336.505 1.842 20 0 EDADRP C[C@H](Cn1ccnc1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530812566 447962758 /nfs/dbraw/zinc/96/27/58/447962758.db2.gz AYCNACPQHFCJBC-CRAIPNDOSA-N 2 0 328.416 1.025 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+](C)C1CC1 ZINC000524351478 447926446 /nfs/dbraw/zinc/92/64/46/447926446.db2.gz DBRNRPZHNRMAAW-RDJZCZTQSA-N 2 0 330.476 1.893 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000531064902 448013239 /nfs/dbraw/zinc/01/32/39/448013239.db2.gz SCOZGFKLAGUHLK-AZUAARDMSA-N 2 0 345.487 1.566 20 0 EDADRP CC1(C(=O)N2CCC(O)(C[NH3+])CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000576158521 447986168 /nfs/dbraw/zinc/98/61/68/447986168.db2.gz FUNRNVOTQRNQSM-UHFFFAOYSA-N 2 0 345.487 1.601 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000570343122 447992278 /nfs/dbraw/zinc/99/22/78/447992278.db2.gz HRUVQMMRSLRTNK-KRWDZBQOSA-N 2 0 336.524 1.347 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000525369746 447997482 /nfs/dbraw/zinc/99/74/82/447997482.db2.gz FZIFGELUAAZGSV-NVXWUHKLSA-N 2 0 325.497 1.626 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000576272501 448014664 /nfs/dbraw/zinc/01/46/64/448014664.db2.gz ZWTBMLLNKOHOIJ-VQIMIIECSA-N 2 0 331.504 1.997 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)n1 ZINC000570224467 447968883 /nfs/dbraw/zinc/96/88/83/447968883.db2.gz VDADWEAXMGYCJU-QAPCUYQASA-N 2 0 345.491 1.534 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000570428571 448012845 /nfs/dbraw/zinc/01/28/45/448012845.db2.gz CCSINDIKAQBVRU-RTBURBONSA-N 2 0 344.503 1.931 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1OCCC2 ZINC000525890182 448050381 /nfs/dbraw/zinc/05/03/81/448050381.db2.gz HSDPPQFLEDKWHL-UHFFFAOYSA-N 2 0 334.464 1.969 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000571059699 448103052 /nfs/dbraw/zinc/10/30/52/448103052.db2.gz RRFJKDRNRFJZRP-DLBZAZTESA-N 2 0 338.496 1.128 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)[NH+](C)C1 ZINC000502627043 448103458 /nfs/dbraw/zinc/10/34/58/448103458.db2.gz JYPUEHWHMBYMMP-JYJNAYRXSA-N 2 0 340.512 1.467 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000576492711 448068588 /nfs/dbraw/zinc/06/85/88/448068588.db2.gz YNKGBPUIEDNRKC-BRWVUGGUSA-N 2 0 338.496 1.148 20 0 EDADRP CN(C[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)C(=O)OC(C)(C)C ZINC000497007112 448115960 /nfs/dbraw/zinc/11/59/60/448115960.db2.gz FNRKDPXIBDQQSA-ZFWWWQNUSA-N 2 0 327.469 1.288 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000576836672 448152946 /nfs/dbraw/zinc/15/29/46/448152946.db2.gz JXNOIZJQBKQJDC-GOSISDBHSA-N 2 0 331.460 1.347 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000514789087 448204207 /nfs/dbraw/zinc/20/42/07/448204207.db2.gz VGDLFQOLFMFJFN-KSZLIROESA-N 2 0 342.524 1.891 20 0 EDADRP CCOc1ccnc(N2CCC[N@H+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000571810221 448210517 /nfs/dbraw/zinc/21/05/17/448210517.db2.gz BDCAKABXNGJSHR-UHFFFAOYSA-N 2 0 333.480 1.777 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)nc1 ZINC000514856574 448215367 /nfs/dbraw/zinc/21/53/67/448215367.db2.gz OIIHOCMLLSHKJU-UHFFFAOYSA-N 2 0 333.480 1.334 20 0 EDADRP C[C@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000571863399 448219309 /nfs/dbraw/zinc/21/93/09/448219309.db2.gz KMXYXGDOKSVKCP-AWEZNQCLSA-N 2 0 346.475 1.641 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000571866002 448220928 /nfs/dbraw/zinc/22/09/28/448220928.db2.gz CVPPKYPVIAJFLO-XDNAFOTISA-N 2 0 334.508 1.938 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(S(C)(=O)=O)CCC1 ZINC000527530902 448248935 /nfs/dbraw/zinc/24/89/35/448248935.db2.gz WSYFNBAKNJLPBN-UHFFFAOYSA-N 2 0 334.445 1.633 20 0 EDADRP COc1c(N)ncnc1NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000582677836 448310309 /nfs/dbraw/zinc/31/03/09/448310309.db2.gz WOGHWPNKOJONBI-OAHLLOKOSA-N 2 0 343.431 1.636 20 0 EDADRP CN1CC[NH+](C[C@H](O)CNc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC1 ZINC000582901199 448372732 /nfs/dbraw/zinc/37/27/32/448372732.db2.gz QGEBCNFRTFMUCK-MJGOQNOKSA-N 2 0 332.492 1.256 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)CC[NH2+]CC1 ZINC000591569424 448394044 /nfs/dbraw/zinc/39/40/44/448394044.db2.gz OWQDJTLCTXJXRK-CYBMUJFWSA-N 2 0 347.450 1.627 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000566179035 448405885 /nfs/dbraw/zinc/40/58/85/448405885.db2.gz MFCCTTVVCUTVFH-WMZOPIPTSA-N 2 0 331.460 1.082 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)COC1CCC([NH3+])CC1 ZINC000566194033 448411997 /nfs/dbraw/zinc/41/19/97/448411997.db2.gz XHYLBFWOGMSFSB-UHFFFAOYSA-N 2 0 334.464 1.258 20 0 EDADRP O=S(=O)(CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000516065819 448375462 /nfs/dbraw/zinc/37/54/62/448375462.db2.gz USCKVRRSHWLGDE-MRXNPFEDSA-N 2 0 340.489 1.287 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000516769271 448471653 /nfs/dbraw/zinc/47/16/53/448471653.db2.gz DKUGQRSAEGUVHN-GOSISDBHSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000578121858 448465392 /nfs/dbraw/zinc/46/53/92/448465392.db2.gz VRFCBADKLQNMNC-CRAIPNDOSA-N 2 0 344.503 1.712 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000534717506 448467721 /nfs/dbraw/zinc/46/77/21/448467721.db2.gz SEFCGTIAOCFMBR-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000566560772 448508358 /nfs/dbraw/zinc/50/83/58/448508358.db2.gz IPRDALRUNSBZRM-KSZLIROESA-N 2 0 337.508 1.994 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC1CC[NH2+]CC1 ZINC000584459283 448533915 /nfs/dbraw/zinc/53/39/15/448533915.db2.gz UDGHXEULPIMUPW-QAPCUYQASA-N 2 0 330.476 1.806 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566889719 448576820 /nfs/dbraw/zinc/57/68/20/448576820.db2.gz VDSPJXCHVVXXJX-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000573073456 448534798 /nfs/dbraw/zinc/53/47/98/448534798.db2.gz CORIHUZVMNFLNE-UXLLHSPISA-N 2 0 332.448 1.021 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000584467707 448538264 /nfs/dbraw/zinc/53/82/64/448538264.db2.gz CAIXYUVBIHVNKG-BMGDILEWSA-N 2 0 331.460 1.520 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000584471150 448539543 /nfs/dbraw/zinc/53/95/43/448539543.db2.gz ZVZRTPIOQUMFSI-GUYCJALGSA-N 2 0 325.416 1.185 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000540964040 448660013 /nfs/dbraw/zinc/66/00/13/448660013.db2.gz QMOUSDFIDFUFSU-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCSC3)cc2)CC1 ZINC000567332905 448666431 /nfs/dbraw/zinc/66/64/31/448666431.db2.gz GVXVBSYOEFYKLR-QGZVFWFLSA-N 2 0 333.501 1.979 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCCC1 ZINC000567571423 448715223 /nfs/dbraw/zinc/71/52/23/448715223.db2.gz BGUKHWPLBCBWLV-SJORKVTESA-N 2 0 339.528 1.171 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N(C)[C@H]1c1ccnn1C ZINC000567603940 448723184 /nfs/dbraw/zinc/72/31/84/448723184.db2.gz CSAWQDJYVAQKLM-YKTARERQSA-N 2 0 347.507 1.982 20 0 EDADRP COCCNC(=O)[C@H]1CC[C@H](C)[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000568051072 448807450 /nfs/dbraw/zinc/80/74/50/448807450.db2.gz VRLKJOQFRDAXBU-YJBOKZPZSA-N 2 0 345.487 1.695 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000579340417 448770055 /nfs/dbraw/zinc/77/00/55/448770055.db2.gz IZMYYRSFQBQOQK-CVEARBPZSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC000574024178 448770920 /nfs/dbraw/zinc/77/09/20/448770920.db2.gz HZKHDFRYQQYKIN-HNNXBMFYSA-N 2 0 346.475 1.147 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000519590073 448793581 /nfs/dbraw/zinc/79/35/81/448793581.db2.gz PNHQQAOKJREIGV-UHFFFAOYSA-N 2 0 340.537 1.647 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CCCC1 ZINC000529339247 448831190 /nfs/dbraw/zinc/83/11/90/448831190.db2.gz OANISOXKJZUYCO-IAGOWNOFSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000529353172 448837451 /nfs/dbraw/zinc/83/74/51/448837451.db2.gz PLVDHVFLMPZKOQ-HOCLYGCPSA-N 2 0 336.480 1.166 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)[C@H](C)C1 ZINC000579626914 448840149 /nfs/dbraw/zinc/84/01/49/448840149.db2.gz KYUIIMDOKBCCOO-AEFFLSMTSA-N 2 0 330.476 1.846 20 0 EDADRP CCOCC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000519827225 448853526 /nfs/dbraw/zinc/85/35/26/448853526.db2.gz YFUUWONBXUPHGD-KRWDZBQOSA-N 2 0 336.480 1.101 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCn2ccnc2C1 ZINC000568508720 448881707 /nfs/dbraw/zinc/88/17/07/448881707.db2.gz MBKBDXHUTWURGL-GDBMZVCRSA-N 2 0 325.416 1.466 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547464594 448883140 /nfs/dbraw/zinc/88/31/40/448883140.db2.gz ZZARKQNZJONKAA-KRWDZBQOSA-N 2 0 330.476 1.846 20 0 EDADRP CC(=O)NC1CCC(Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000547657612 448910876 /nfs/dbraw/zinc/91/08/76/448910876.db2.gz VQFNMWOGTIHHLL-UHFFFAOYSA-N 2 0 331.464 1.693 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)Cc1ccc(OC)c(F)c1 ZINC000569502269 449035098 /nfs/dbraw/zinc/03/50/98/449035098.db2.gz JGNPMWVHYQZCMF-RRFJBIMHSA-N 2 0 337.439 1.599 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)ccn1 ZINC000530021870 449027135 /nfs/dbraw/zinc/02/71/35/449027135.db2.gz AFRCLJXBTAYQOT-KRWDZBQOSA-N 2 0 346.475 1.769 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c21 ZINC000592956235 449076213 /nfs/dbraw/zinc/07/62/13/449076213.db2.gz DZWNVFBNCCQFOD-MRXNPFEDSA-N 2 0 345.491 1.667 20 0 EDADRP C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[NH+]1CCC(C)CC1 ZINC000592958666 449081821 /nfs/dbraw/zinc/08/18/21/449081821.db2.gz ZWTVOIPCQUDDCC-CABCVRRESA-N 2 0 333.480 1.569 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592959755 449083068 /nfs/dbraw/zinc/08/30/68/449083068.db2.gz PQMDMZSDEUAORY-NUEKZKHPSA-N 2 0 331.464 1.418 20 0 EDADRP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000530220006 449084761 /nfs/dbraw/zinc/08/47/61/449084761.db2.gz AXAOJYLSXPCOOA-QZTJIDSGSA-N 2 0 347.438 1.771 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCc3ccccc3CC2)CC1 ZINC000530236449 449089680 /nfs/dbraw/zinc/08/96/80/449089680.db2.gz SKWSRVCCAJIPKL-HXUWFJFHSA-N 2 0 331.504 1.380 20 0 EDADRP COC(=O)c1cn([C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)nn1 ZINC000595893136 449237154 /nfs/dbraw/zinc/23/71/54/449237154.db2.gz PYMRXEREEJTBHO-HNNXBMFYSA-N 2 0 341.415 1.157 20 0 EDADRP CS[C@@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000590925575 449345991 /nfs/dbraw/zinc/34/59/91/449345991.db2.gz HGSDYRWVBGAOSS-UKRRQHHQSA-N 2 0 326.510 1.302 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)Oc1ccccc1 ZINC000607245053 449589410 /nfs/dbraw/zinc/58/94/10/449589410.db2.gz BEMGQVCFJFHMDQ-MRXNPFEDSA-N 2 0 336.480 1.589 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000602467752 449614307 /nfs/dbraw/zinc/61/43/07/449614307.db2.gz ZHSMZIZLAVTBQH-KRWDZBQOSA-N 2 0 325.460 1.842 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)CC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000601029517 449663435 /nfs/dbraw/zinc/66/34/35/449663435.db2.gz ZQJLELFZUZQJPJ-LSDHHAIUSA-N 2 0 341.496 1.449 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCCN(c3cnn(C)c3)C2=O)CC1 ZINC000607729200 449640353 /nfs/dbraw/zinc/64/03/53/449640353.db2.gz DSRAFMCSHZOGFW-GOSISDBHSA-N 2 0 347.507 1.968 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)CC[N@@H+]1C ZINC000617704012 449751935 /nfs/dbraw/zinc/75/19/35/449751935.db2.gz UCEVHVFAAIQSTO-SNRMKQJTSA-N 2 0 345.487 1.600 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000597186390 449861099 /nfs/dbraw/zinc/86/10/99/449861099.db2.gz JLTAOQHPFNNTHO-XOYOTBSWSA-N 2 0 332.444 1.817 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cc(C)n[nH]1 ZINC000608692768 449911022 /nfs/dbraw/zinc/91/10/22/449911022.db2.gz SBGMHBJFNUPASW-INIZCTEOSA-N 2 0 336.484 1.276 20 0 EDADRP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(CC[NH+](C)C)CC2)C1=O ZINC000595295720 450010737 /nfs/dbraw/zinc/01/07/37/450010737.db2.gz QHHUOEHZAUMCLO-MRXNPFEDSA-N 2 0 339.480 1.204 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000609337928 450013666 /nfs/dbraw/zinc/01/36/66/450013666.db2.gz GOFGPPHXBXMFEG-IRXDYDNUSA-N 2 0 331.460 1.538 20 0 EDADRP Cn1cc(-c2cncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2)cn1 ZINC000595462651 450160051 /nfs/dbraw/zinc/16/00/51/450160051.db2.gz QUEKEOBSDARMSJ-UHFFFAOYSA-N 2 0 344.463 1.048 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@H+](C)C1)N1CCOCC1 ZINC000623403768 450515115 /nfs/dbraw/zinc/51/51/15/450515115.db2.gz GZXHVKJRGKQZDB-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3cccc4n[nH]cc43)ccn2)CC1 ZINC000623359508 450505560 /nfs/dbraw/zinc/50/55/60/450505560.db2.gz UORWBWOLHXCWJG-UHFFFAOYSA-N 2 0 336.443 2.000 20 0 EDADRP CN(CCC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)c1cc[nH+]cc1 ZINC000620975591 450567685 /nfs/dbraw/zinc/56/76/85/450567685.db2.gz XYYIFEPZOWWQNL-QGZVFWFLSA-N 2 0 334.464 1.477 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCC1 ZINC000623710068 450569148 /nfs/dbraw/zinc/56/91/48/450569148.db2.gz SNVWMKHZHFXANC-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP NC(=O)C[C@H]1CN(Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000626076408 450569479 /nfs/dbraw/zinc/56/94/79/450569479.db2.gz LVZOJNUSWQACTE-SFHVURJKSA-N 2 0 331.460 1.749 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153673 450602171 /nfs/dbraw/zinc/60/21/71/450602171.db2.gz XFEXWDQOYPJPDD-MJGOQNOKSA-N 2 0 331.460 1.080 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)NCC[N@@H+](C)C3CC3)C2)cc1 ZINC000633080890 450667669 /nfs/dbraw/zinc/66/76/69/450667669.db2.gz AEWXQUIOXCCLEO-QGZVFWFLSA-N 2 0 330.476 1.963 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1C ZINC000631513604 450630225 /nfs/dbraw/zinc/63/02/25/450630225.db2.gz VAZLMVFYRUABAJ-YESZJQIVSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@H+](CCCNC(=O)C(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000635139800 450686394 /nfs/dbraw/zinc/68/63/94/450686394.db2.gz KLDOXBFIVMZETJ-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP C[NH+](C)C1(CNS(=O)(=O)CCC[NH+]2CCCC2)CCCCC1 ZINC000631651903 450695742 /nfs/dbraw/zinc/69/57/42/450695742.db2.gz XBPPWBWFMXMNGU-UHFFFAOYSA-N 2 0 331.526 1.656 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161062 450706294 /nfs/dbraw/zinc/70/62/94/450706294.db2.gz XWOKJEQVDWVLMR-OALUTQOASA-N 2 0 343.471 1.584 20 0 EDADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629523442 450724868 /nfs/dbraw/zinc/72/48/68/450724868.db2.gz GOMSZOIGAYTNMW-QGZVFWFLSA-N 2 0 329.448 1.815 20 0 EDADRP Cc1cc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)nc(C)n1 ZINC000629567156 450738927 /nfs/dbraw/zinc/73/89/27/450738927.db2.gz WZKPWUUGBPPRIU-KRWDZBQOSA-N 2 0 333.480 1.109 20 0 EDADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000629602576 450757533 /nfs/dbraw/zinc/75/75/33/450757533.db2.gz UNYLZYZKRZLSJM-GOSISDBHSA-N 2 0 343.427 1.516 20 0 EDADRP CN(Cc1ccco1)Cc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000629602578 450758326 /nfs/dbraw/zinc/75/83/26/450758326.db2.gz UNYLZYZKRZLSJM-SFHVURJKSA-N 2 0 343.427 1.516 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3cccc(F)c3)CC2)C1 ZINC000629650190 450770984 /nfs/dbraw/zinc/77/09/84/450770984.db2.gz QJQWQXPBWJDZAW-OAHLLOKOSA-N 2 0 349.450 1.866 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631787131 450777330 /nfs/dbraw/zinc/77/73/30/450777330.db2.gz AROCMXCSLCNWRA-INIZCTEOSA-N 2 0 345.553 1.902 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000631824578 450798053 /nfs/dbraw/zinc/79/80/53/450798053.db2.gz KLKWZUCQGAJCSY-KRWDZBQOSA-N 2 0 331.460 1.579 20 0 EDADRP Cn1c2cc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)ccc2oc1=O ZINC000631827795 450801552 /nfs/dbraw/zinc/80/15/52/450801552.db2.gz WVSBGSHPCJKRLH-CQSZACIVSA-N 2 0 331.416 1.319 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)c2ccccc21 ZINC000621749366 450856937 /nfs/dbraw/zinc/85/69/37/450856937.db2.gz XXCAONHECCFYKA-SFHVURJKSA-N 2 0 330.476 1.711 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000631940579 450898063 /nfs/dbraw/zinc/89/80/63/450898063.db2.gz ANDRNQBXZOVOGG-CVEARBPZSA-N 2 0 329.510 1.124 20 0 EDADRP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)C1CCC1 ZINC000629966100 450923939 /nfs/dbraw/zinc/92/39/39/450923939.db2.gz GVYLBWFQTHAJPZ-UHFFFAOYSA-N 2 0 345.487 1.744 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635449655 450950658 /nfs/dbraw/zinc/95/06/58/450950658.db2.gz CPVFAEKXNSZKMJ-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP [NH3+]C[C@@H]1Cc2ccccc2N(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631997343 450953944 /nfs/dbraw/zinc/95/39/44/450953944.db2.gz YDSHGSUGGVPBAW-HNNXBMFYSA-N 2 0 337.489 1.440 20 0 EDADRP CC[NH+]1CCC(CCNS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632034582 450986744 /nfs/dbraw/zinc/98/67/44/450986744.db2.gz YBEQOCVGVUBWOI-UHFFFAOYSA-N 2 0 331.526 1.514 20 0 EDADRP C[C@H]([C@H](C)NC(=O)C[N@H+](C)CCc1ccccc1)N1CCOCC1 ZINC000635506270 451000950 /nfs/dbraw/zinc/00/09/50/451000950.db2.gz QRNHOICCZYYRSK-DLBZAZTESA-N 2 0 333.476 1.386 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937122 451018332 /nfs/dbraw/zinc/01/83/32/451018332.db2.gz QKBKJESMNKOUEC-HZPDHXFCSA-N 2 0 340.512 1.552 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000626939383 451020183 /nfs/dbraw/zinc/02/01/83/451020183.db2.gz BBBLXXMPSCXLDK-LSDHHAIUSA-N 2 0 340.537 1.788 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC[C@@H]1C(F)(F)F ZINC000626939215 451020631 /nfs/dbraw/zinc/02/06/31/451020631.db2.gz WHGQTHQQFSBOQB-BZPMIXESSA-N 2 0 348.413 1.639 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000626957473 451034713 /nfs/dbraw/zinc/03/47/13/451034713.db2.gz SLFDAXDSQNZQBO-MSOLQXFVSA-N 2 0 346.475 1.420 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000626968305 451040378 /nfs/dbraw/zinc/04/03/78/451040378.db2.gz FWODBLDXDFLNAN-GOSISDBHSA-N 2 0 348.491 1.168 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626999406 451064043 /nfs/dbraw/zinc/06/40/43/451064043.db2.gz ZCTCOKJEFNWVLX-WVWOOGAGSA-N 2 0 348.413 1.638 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000632144743 451069859 /nfs/dbraw/zinc/06/98/59/451069859.db2.gz KLZWIMSVIJMONM-QGZVFWFLSA-N 2 0 343.537 1.466 20 0 EDADRP CC(C)(CO)N1CCN(C(=O)c2ccc(-c3c[nH]cn3)cc2)CC1 ZINC000632146900 451071513 /nfs/dbraw/zinc/07/15/13/451071513.db2.gz VWTPJSOGDMDDOT-UHFFFAOYSA-N 2 0 328.416 1.605 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627016634 451082147 /nfs/dbraw/zinc/08/21/47/451082147.db2.gz QYNIIYOQSDKSEN-HKUYNNGSSA-N 2 0 346.475 1.329 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000635588859 451086521 /nfs/dbraw/zinc/08/65/21/451086521.db2.gz CJWXMCFVRWWGKK-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH2+]1 ZINC000627023328 451086789 /nfs/dbraw/zinc/08/67/89/451086789.db2.gz QNHDJEFENHUUFE-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000627033390 451091639 /nfs/dbraw/zinc/09/16/39/451091639.db2.gz IILOZUMHJSVZJY-RDJZCZTQSA-N 2 0 336.480 1.603 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000635608188 451101326 /nfs/dbraw/zinc/10/13/26/451101326.db2.gz UVIXSCFXUMFIKB-RHSMWYFYSA-N 2 0 346.475 1.741 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627081451 451114035 /nfs/dbraw/zinc/11/40/35/451114035.db2.gz YOQPSSVJZRDCDG-HZPDHXFCSA-N 2 0 326.485 1.304 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627115124 451131546 /nfs/dbraw/zinc/13/15/46/451131546.db2.gz QTGXQWZKHROKGO-KURKYZTESA-N 2 0 348.466 1.911 20 0 EDADRP CN1CCN(C(=O)NCc2c(Cl)oc3ccccc32)[C@@H](C[NH3+])C1 ZINC000627145565 451145610 /nfs/dbraw/zinc/14/56/10/451145610.db2.gz SGCBQOIUMXYKMA-NSHDSACASA-N 2 0 336.823 1.871 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC12CCOCC2 ZINC000634047454 451165675 /nfs/dbraw/zinc/16/56/75/451165675.db2.gz JSSJTRLJEJHPBZ-HNNXBMFYSA-N 2 0 338.496 1.435 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000627176801 451167241 /nfs/dbraw/zinc/16/72/41/451167241.db2.gz GJYABTMMWXXAKE-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[NH2+]1 ZINC000627203142 451185103 /nfs/dbraw/zinc/18/51/03/451185103.db2.gz VHIXSKBWSQZZKO-WXCOAYGQSA-N 2 0 349.523 1.079 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000627204787 451185842 /nfs/dbraw/zinc/18/58/42/451185842.db2.gz FRSKVEYEBIDQGV-QRTARXTBSA-N 2 0 334.464 1.738 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C12CCC[NH+](CCC1)C2 ZINC000635705814 451185857 /nfs/dbraw/zinc/18/58/57/451185857.db2.gz ZRYFTAPKGFAGPR-ZWKOTPCHSA-N 2 0 349.519 1.747 20 0 EDADRP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000635743398 451213074 /nfs/dbraw/zinc/21/30/74/451213074.db2.gz NVSCSRQFQTXOSH-ROUUACIJSA-N 2 0 345.487 1.327 20 0 EDADRP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635750520 451218674 /nfs/dbraw/zinc/21/86/74/451218674.db2.gz SNYMSZUBGUYORW-ROUUACIJSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638084098 451247628 /nfs/dbraw/zinc/24/76/28/451247628.db2.gz PXPMFNZJBNDZPH-LMMKCTJWSA-N 2 0 346.519 1.682 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000630575740 451256644 /nfs/dbraw/zinc/25/66/44/451256644.db2.gz CINBFKNEOKJRDO-KRWDZBQOSA-N 2 0 347.438 1.617 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000630576448 451256801 /nfs/dbraw/zinc/25/68/01/451256801.db2.gz HRDHCMPAQGPQED-GOSISDBHSA-N 2 0 343.475 1.347 20 0 EDADRP CN(C(=O)[C@]1(C)C[NH2+]CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000638100096 451265403 /nfs/dbraw/zinc/26/54/03/451265403.db2.gz JWSHVPBTKDMLHO-IBGZPJMESA-N 2 0 331.460 1.488 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000638102224 451268513 /nfs/dbraw/zinc/26/85/13/451268513.db2.gz UHCBZBQSPINMGN-QZTJIDSGSA-N 2 0 330.476 1.046 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2F)[C@@H](C)C1 ZINC000638114446 451283267 /nfs/dbraw/zinc/28/32/67/451283267.db2.gz JMEAHYFEXPNFPM-LRDDRELGSA-N 2 0 343.468 1.635 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@]3(C[NH3+])CCCOC3)cc21 ZINC000638122172 451291614 /nfs/dbraw/zinc/29/16/14/451291614.db2.gz LRROHRGOKHNEFX-LJQANCHMSA-N 2 0 344.459 1.897 20 0 EDADRP CC(C)(C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)N1CCOCC1 ZINC000638125710 451295973 /nfs/dbraw/zinc/29/59/73/451295973.db2.gz LEPPYNDRKSSYNL-UHFFFAOYSA-N 2 0 339.524 1.674 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(C)(C)N2CCOCC2)C1 ZINC000638132352 451303649 /nfs/dbraw/zinc/30/36/49/451303649.db2.gz GIZRZKPNKRHGGT-KRWDZBQOSA-N 2 0 327.513 1.530 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)C1 ZINC000638132113 451304182 /nfs/dbraw/zinc/30/41/82/451304182.db2.gz GRARVTWCCWIFSU-BEFAXECRSA-N 2 0 347.459 1.724 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000638138164 451312589 /nfs/dbraw/zinc/31/25/89/451312589.db2.gz WUXDBYMPVHSCNY-SFHVURJKSA-N 2 0 342.487 1.753 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638144227 451318179 /nfs/dbraw/zinc/31/81/79/451318179.db2.gz BQOLEIFMQSJEKO-OLZOCXBDSA-N 2 0 345.447 1.113 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146280 451320214 /nfs/dbraw/zinc/32/02/14/451320214.db2.gz QUOGWUCOWICTPH-WUOJDRAKSA-N 2 0 331.460 1.660 20 0 EDADRP [NH3+]C1(CNC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CCC1 ZINC000638162047 451330143 /nfs/dbraw/zinc/33/01/43/451330143.db2.gz LAFSXMRHVJQLOP-UHFFFAOYSA-N 2 0 330.476 1.368 20 0 EDADRP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000638249192 451380557 /nfs/dbraw/zinc/38/05/57/451380557.db2.gz ORUOLTWUTKTSMI-OTWHNJEPSA-N 2 0 327.472 1.967 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000635894401 451338072 /nfs/dbraw/zinc/33/80/72/451338072.db2.gz GIWAZEPTCDUCME-SJLPKXTDSA-N 2 0 335.492 1.717 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638275187 451393246 /nfs/dbraw/zinc/39/32/46/451393246.db2.gz KTEANBLCSNPEAJ-IBGZPJMESA-N 2 0 333.476 1.852 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cn1 ZINC000638331997 451438219 /nfs/dbraw/zinc/43/82/19/451438219.db2.gz BUJBWENZWVZAMM-UHFFFAOYSA-N 2 0 348.476 1.621 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638357527 451457509 /nfs/dbraw/zinc/45/75/09/451457509.db2.gz XWMYYJVDGDSUFM-UHFFFAOYSA-N 2 0 328.407 1.359 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364880 451462323 /nfs/dbraw/zinc/46/23/23/451462323.db2.gz CUCGCBOYDTXFDX-AEFFLSMTSA-N 2 0 344.503 1.436 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638384235 451478221 /nfs/dbraw/zinc/47/82/21/451478221.db2.gz BAVUKJGNGIGQCS-GOSISDBHSA-N 2 0 327.428 1.601 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000638416332 451502471 /nfs/dbraw/zinc/50/24/71/451502471.db2.gz RFKWNJNFABLLSY-PKOBYXMFSA-N 2 0 331.460 1.140 20 0 EDADRP Nc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c(N)n1 ZINC000638420933 451505916 /nfs/dbraw/zinc/50/59/16/451505916.db2.gz WNZBMCYJTFLUQC-UHFFFAOYSA-N 2 0 326.448 1.304 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634764944 451534174 /nfs/dbraw/zinc/53/41/74/451534174.db2.gz HDKKPRNSCYLDDG-SJORKVTESA-N 2 0 332.492 1.340 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000638488679 451541280 /nfs/dbraw/zinc/54/12/80/451541280.db2.gz FSUCQMQOVIKFRJ-MOPGFXCFSA-N 2 0 345.487 1.734 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000638511519 451552848 /nfs/dbraw/zinc/55/28/48/451552848.db2.gz ATKIUXPZPCJKNM-RBUKOAKNSA-N 2 0 345.487 1.734 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CCC2CC[NH2+]CC2)cc1 ZINC000638527079 451558151 /nfs/dbraw/zinc/55/81/51/451558151.db2.gz QLTLGOIRKUTQOY-UHFFFAOYSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccncc2Br)CC1 ZINC000631084567 451575110 /nfs/dbraw/zinc/57/51/10/451575110.db2.gz UKITVIFECWYPIK-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000638601835 451599750 /nfs/dbraw/zinc/59/97/50/451599750.db2.gz IBTXGPJEBBDSIX-UHFFFAOYSA-N 2 0 349.500 1.721 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C[C@H]1C[NH3+] ZINC000634998840 451642270 /nfs/dbraw/zinc/64/22/70/451642270.db2.gz LRUWOSFYYXVLSI-NVXWUHKLSA-N 2 0 331.460 1.714 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000632982592 451678126 /nfs/dbraw/zinc/67/81/26/451678126.db2.gz JTXLMWRUYMFFTD-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638766923 451684556 /nfs/dbraw/zinc/68/45/56/451684556.db2.gz ZINGCAKVZCDOLN-MMTROXRISA-N 2 0 343.471 1.392 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780603 451688784 /nfs/dbraw/zinc/68/87/84/451688784.db2.gz TZUUPRLNQJBUNA-ROUUACIJSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)COC1CC[NH2+]CC1 ZINC000638834306 451705617 /nfs/dbraw/zinc/70/56/17/451705617.db2.gz DZPPVOAKDSOVIN-WMZOPIPTSA-N 2 0 345.487 1.639 20 0 EDADRP COc1cccc(CC2CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC2)c1 ZINC000638859459 451712796 /nfs/dbraw/zinc/71/27/96/451712796.db2.gz IZRDDOSBRHIWOK-SFHVURJKSA-N 2 0 333.476 1.755 20 0 EDADRP CCCCNc1cc(C)[nH+]c(N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)n1 ZINC000631372137 451715572 /nfs/dbraw/zinc/71/55/72/451715572.db2.gz HUSKGSDRSRIHBM-MRXNPFEDSA-N 2 0 333.480 2.032 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000638985169 451746632 /nfs/dbraw/zinc/74/66/32/451746632.db2.gz BCRFSHCNWLAIAU-KRWDZBQOSA-N 3 0 337.427 1.317 20 0 EDADRP O=C(Cc1cnn2ccccc12)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985447 451746746 /nfs/dbraw/zinc/74/67/46/451746746.db2.gz HQPCWNBHXIIGMB-UHFFFAOYSA-N 2 0 336.399 1.320 20 0 EDADRP Cc1nn(C)c(C)c1[C@@H](C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986326 451747035 /nfs/dbraw/zinc/74/70/35/451747035.db2.gz KQMCFERWFLFPSV-GFCCVEGCSA-N 2 0 342.447 1.584 20 0 EDADRP Cc1csc(=O)n1CCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987053 451747502 /nfs/dbraw/zinc/74/75/02/451747502.db2.gz JJGLXWZHNJAVAP-UHFFFAOYSA-N 2 0 347.444 1.052 20 0 EDADRP O=C(COCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987722 451747977 /nfs/dbraw/zinc/74/79/77/451747977.db2.gz XHIFFVFBUDMYCN-UHFFFAOYSA-N 2 0 326.400 1.647 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH2+]C[C@H]3CCCO3)C2)cc1 ZINC000639006571 451751537 /nfs/dbraw/zinc/75/15/37/451751537.db2.gz WYVZPLYIJVIHPA-ZWKOTPCHSA-N 2 0 331.460 1.454 20 0 EDADRP [NH3+][C@@H](CO)Cc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641179884 451770461 /nfs/dbraw/zinc/77/04/61/451770461.db2.gz VNKACRXRNCDMDU-QGZVFWFLSA-N 2 0 329.448 1.174 20 0 EDADRP CN(Cc1ccc(S(N)(=O)=O)s1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639161369 451781846 /nfs/dbraw/zinc/78/18/46/451781846.db2.gz CDYRIBKSOFFCBG-FOSCPWQOSA-N 2 0 329.491 1.453 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1 ZINC000639212789 451792826 /nfs/dbraw/zinc/79/28/26/451792826.db2.gz CEZGUXLBHXSKBJ-UHFFFAOYSA-N 2 0 346.537 1.415 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644521964 451837677 /nfs/dbraw/zinc/83/76/77/451837677.db2.gz JTTQTMYGAYXDPA-IRXDYDNUSA-N 2 0 328.497 1.645 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649278620 451949405 /nfs/dbraw/zinc/94/94/05/451949405.db2.gz RBELKKVPDRYKCO-HKUYNNGSSA-N 2 0 331.460 1.708 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000649278490 451949700 /nfs/dbraw/zinc/94/97/00/451949700.db2.gz HRGJSVZKIMRMOV-PKOBYXMFSA-N 2 0 333.476 1.737 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC1CCC([NH3+])CC1 ZINC000649270297 451943625 /nfs/dbraw/zinc/94/36/25/451943625.db2.gz ZBIUJJHVOUEZGS-HTWSVDAQSA-N 2 0 341.459 1.187 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1([NH3+])CCN(C(C)=O)C1 ZINC000649281437 451954354 /nfs/dbraw/zinc/95/43/54/451954354.db2.gz IPPCTQFVQCYHDI-LJQANCHMSA-N 2 0 346.475 1.094 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C[C@H](C)O1 ZINC000649288539 451962329 /nfs/dbraw/zinc/96/23/29/451962329.db2.gz YFSIEORBXCJRQX-JCTKKGROSA-N 2 0 343.471 1.662 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649288552 451962603 /nfs/dbraw/zinc/96/26/03/451962603.db2.gz YOFKVEGJEGINHC-MRXNPFEDSA-N 2 0 345.487 1.913 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288746 451963301 /nfs/dbraw/zinc/96/33/01/451963301.db2.gz FCKMFBXTXPDAMN-HNNXBMFYSA-N 2 0 341.402 1.488 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](CC(C)C)C[NH+](C)C)cnn1C ZINC000649298941 451974702 /nfs/dbraw/zinc/97/47/02/451974702.db2.gz MKZFOQOOPHCABK-OIISXLGYSA-N 2 0 335.496 1.124 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649315735 451994937 /nfs/dbraw/zinc/99/49/37/451994937.db2.gz GTGCSWWWBCZRCM-NXHRZFHOSA-N 2 0 329.444 1.580 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@](C)(O)CC[NH+](C)C)o1 ZINC000642949961 451997160 /nfs/dbraw/zinc/99/71/60/451997160.db2.gz FTSVINUBZAPBQQ-QGZVFWFLSA-N 2 0 325.453 1.554 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000639654259 452002205 /nfs/dbraw/zinc/00/22/05/452002205.db2.gz CCSANMGDPGARQL-KRWDZBQOSA-N 2 0 336.505 1.876 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637668524 452009316 /nfs/dbraw/zinc/00/93/16/452009316.db2.gz JBRKFZAEKGHYRB-UHFFFAOYSA-N 2 0 334.468 1.708 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649331733 452012975 /nfs/dbraw/zinc/01/29/75/452012975.db2.gz SCKNLPSPDXCUMD-GJZGRUSLSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)COC1(C)C[NH2+]C1 ZINC000649336730 452017821 /nfs/dbraw/zinc/01/78/21/452017821.db2.gz QUMVDBQOCJNWBS-HOTGVXAUSA-N 2 0 345.487 1.638 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)CC1 ZINC000639682084 452021654 /nfs/dbraw/zinc/02/16/54/452021654.db2.gz KEFCLVIPMNBNDQ-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC000649342973 452023542 /nfs/dbraw/zinc/02/35/42/452023542.db2.gz ZUXKPILDRFBPOF-NXHRZFHOSA-N 2 0 347.507 1.222 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C2CCC([NH3+])CC2)c2ccccc2)CC1 ZINC000649350666 452033996 /nfs/dbraw/zinc/03/39/96/452033996.db2.gz XRPDBHHXMVCQAW-ACBHZAAOSA-N 2 0 344.503 1.609 20 0 EDADRP Cc1ccc2ncccc2c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000643088703 452035251 /nfs/dbraw/zinc/03/52/51/452035251.db2.gz CIHTZQYYFVGBFC-UHFFFAOYSA-N 2 0 336.461 1.232 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CCC(C)(C)[NH3+])[C@@H](c2ccccc2)C1 ZINC000649351077 452035724 /nfs/dbraw/zinc/03/57/24/452035724.db2.gz JCPDYHNUIJVXMK-GOSISDBHSA-N 2 0 346.519 1.999 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)nc2)CC1 ZINC000649353533 452036828 /nfs/dbraw/zinc/03/68/28/452036828.db2.gz FSFRPGQMOGQQOJ-ACJLOTCBSA-N 2 0 329.448 1.303 20 0 EDADRP Cc1ccc(N2CCC(C(=O)N3CCNC[C@@](C)(F)C3)CC2)nc1 ZINC000647065029 452038196 /nfs/dbraw/zinc/03/81/96/452038196.db2.gz LMXVSJPFBCUFJW-GOSISDBHSA-N 2 0 334.439 1.766 20 0 EDADRP COCC1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC[NH2+]CC1 ZINC000647093589 452056984 /nfs/dbraw/zinc/05/69/84/452056984.db2.gz RQCLXZIVBYSEAN-SJORKVTESA-N 2 0 349.450 1.485 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000637804097 452090919 /nfs/dbraw/zinc/09/09/19/452090919.db2.gz LWAMTUCXXAJUDX-IRXDYDNUSA-N 2 0 343.427 1.390 20 0 EDADRP C[NH2+]CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637806203 452092861 /nfs/dbraw/zinc/09/28/61/452092861.db2.gz QFWSJCMKYUAETF-PKOBYXMFSA-N 2 0 331.460 1.251 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccc4c(c3)OCCO4)C2)CC1 ZINC000639761685 452101099 /nfs/dbraw/zinc/10/10/99/452101099.db2.gz HWSDISIBXXPVSF-UHFFFAOYSA-N 2 0 345.443 1.814 20 0 EDADRP O[C@H](C[NH2+]CCc1ccc2c(c1)OC(F)(F)O2)C[NH+]1CCCC1 ZINC000649488063 452106743 /nfs/dbraw/zinc/10/67/43/452106743.db2.gz AKEYVFWUKLQCFU-CYBMUJFWSA-N 2 0 328.359 1.597 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCN2C)CC1 ZINC000649488087 452106867 /nfs/dbraw/zinc/10/68/67/452106867.db2.gz BGEXOYAQDUBHMM-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000637843060 452112021 /nfs/dbraw/zinc/11/20/21/452112021.db2.gz ZRISLGJRMCGDBA-SFHVURJKSA-N 2 0 325.412 1.849 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000637861746 452119210 /nfs/dbraw/zinc/11/92/10/452119210.db2.gz KRJQWEPVRXXJQC-MNOVXSKESA-N 2 0 344.410 1.196 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000637906230 452155129 /nfs/dbraw/zinc/15/51/29/452155129.db2.gz RVRCIZNYQQNHMQ-UHFFFAOYSA-N 2 0 337.489 1.642 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645108434 452155368 /nfs/dbraw/zinc/15/53/68/452155368.db2.gz XWTCIWAWDPLRJZ-UAGQMJEPSA-N 2 0 331.464 1.412 20 0 EDADRP O[C@@]1(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000651941958 452181995 /nfs/dbraw/zinc/18/19/95/452181995.db2.gz QSDUVPFRYMTRRR-IBGZPJMESA-N 2 0 334.460 1.792 20 0 EDADRP [NH3+]CCCOC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000647506437 452243008 /nfs/dbraw/zinc/24/30/08/452243008.db2.gz GFZUEBDSRJANFK-UHFFFAOYSA-N 2 0 331.460 1.909 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000643489256 452257546 /nfs/dbraw/zinc/25/75/46/452257546.db2.gz MYOYSXAHYXLHOO-BZUAXINKSA-N 2 0 346.541 1.158 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000643495423 452264675 /nfs/dbraw/zinc/26/46/75/452264675.db2.gz IATOZDFKSBTCLT-KXBFYZLASA-N 2 0 344.503 1.472 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)CCC[NH2+]1 ZINC000641800312 452275511 /nfs/dbraw/zinc/27/55/11/452275511.db2.gz FNUQDUGLGJBJCY-LZLYRXPVSA-N 2 0 338.496 1.176 20 0 EDADRP CC[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000659434035 452281150 /nfs/dbraw/zinc/28/11/50/452281150.db2.gz IKUILQONGPUBQI-RCCFBDPRSA-N 2 0 348.466 1.904 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000659434851 452281430 /nfs/dbraw/zinc/28/14/30/452281430.db2.gz CWJJUACMVMNOPB-SJLPKXTDSA-N 2 0 347.507 1.272 20 0 EDADRP C[C@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488174 452285592 /nfs/dbraw/zinc/28/55/92/452285592.db2.gz VCTVVRPSLYVIJV-BSXFFOKHSA-N 2 0 331.460 1.487 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000643522979 452291050 /nfs/dbraw/zinc/29/10/50/452291050.db2.gz VIVPZIYLVKZMAG-UONOGXRCSA-N 2 0 325.478 1.744 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659453273 452303264 /nfs/dbraw/zinc/30/32/64/452303264.db2.gz IVBBQSBWLVPJOW-RBSFLKMASA-N 2 0 328.476 1.968 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])c1 ZINC000641821963 452304028 /nfs/dbraw/zinc/30/40/28/452304028.db2.gz PVWSSTVXDRKAHJ-UHFFFAOYSA-N 2 0 334.464 1.711 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCOC1 ZINC000638048272 452314074 /nfs/dbraw/zinc/31/40/74/452314074.db2.gz PYMJSSUKWOQTJG-LJQANCHMSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659465458 452321106 /nfs/dbraw/zinc/32/11/06/452321106.db2.gz KYANMZQUTXTNPH-VHJHTJHASA-N 2 0 342.487 1.948 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000638051174 452322926 /nfs/dbraw/zinc/32/29/26/452322926.db2.gz CRFHYRRTEJSIOZ-HKUYNNGSSA-N 2 0 347.459 1.327 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000652136133 452330177 /nfs/dbraw/zinc/33/01/77/452330177.db2.gz GNFISQGEGDDTRW-FGTMMUONSA-N 2 0 348.491 1.165 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000665760100 452330312 /nfs/dbraw/zinc/33/03/12/452330312.db2.gz ZEHUTWAJKRPSBK-IXDOHACOSA-N 2 0 341.544 1.240 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481593 452341422 /nfs/dbraw/zinc/34/14/22/452341422.db2.gz JAGWKUPIRHWNTA-JGWYNZBZSA-N 2 0 328.460 1.640 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@H]1C[NH3+] ZINC000652148072 452343518 /nfs/dbraw/zinc/34/35/18/452343518.db2.gz MUOSFYIVUVDTLK-KLHDSHLOSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CN1C1CC1 ZINC000657593997 452360180 /nfs/dbraw/zinc/36/01/80/452360180.db2.gz GDVBSOZNNPKNRZ-BPAFIMBUSA-N 2 0 329.488 1.968 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)[NH+]1CCC(C)CC1 ZINC000638063050 452361842 /nfs/dbraw/zinc/36/18/42/452361842.db2.gz CRUVXDVFDVICHJ-FUHWJXTLSA-N 2 0 325.497 1.615 20 0 EDADRP NC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657594991 452362272 /nfs/dbraw/zinc/36/22/72/452362272.db2.gz MCFSXECRSYPFGU-LJQANCHMSA-N 2 0 339.439 1.642 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC(CC[NH3+])CC2)ccn1 ZINC000652174310 452368865 /nfs/dbraw/zinc/36/88/65/452368865.db2.gz QELISXLCIZRITE-UHFFFAOYSA-N 2 0 349.479 1.292 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000638069827 452372434 /nfs/dbraw/zinc/37/24/34/452372434.db2.gz MZWITOJPVGYLJD-SOLBZPMBSA-N 2 0 333.476 1.910 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NCC1CC[NH2+]CC1 ZINC000659508240 452374047 /nfs/dbraw/zinc/37/40/47/452374047.db2.gz SDIWSHSZOLDFRZ-SFHVURJKSA-N 2 0 346.475 1.052 20 0 EDADRP [NH3+]C[C@@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638071107 452378036 /nfs/dbraw/zinc/37/80/36/452378036.db2.gz FFLYSWQCOLVFTO-MJGOQNOKSA-N 2 0 331.460 1.523 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659513168 452378312 /nfs/dbraw/zinc/37/83/12/452378312.db2.gz GQOOTLJTCYHERW-JQFCIGGWSA-N 2 0 334.439 1.570 20 0 EDADRP COc1c(F)cc(NC(=O)NCCN(C)CCC[NH+](C)C)cc1F ZINC000665809998 452385183 /nfs/dbraw/zinc/38/51/83/452385183.db2.gz GAEXTHCUZCNMEY-UHFFFAOYSA-N 2 0 344.406 1.978 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659537293 452396180 /nfs/dbraw/zinc/39/61/80/452396180.db2.gz RRTPUSGMZCSCJT-BASLNEPJSA-N 2 0 334.439 1.568 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659537523 452396265 /nfs/dbraw/zinc/39/62/65/452396265.db2.gz SGRODTHHUSBTRP-RHSMWYFYSA-N 2 0 338.496 1.175 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cn1 ZINC000638080805 452397432 /nfs/dbraw/zinc/39/74/32/452397432.db2.gz QYJWDUYNYCNRAE-KRWDZBQOSA-N 2 0 339.443 1.720 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000652199520 452397562 /nfs/dbraw/zinc/39/75/62/452397562.db2.gz UOBZEUSPWRIOEX-UHFFFAOYSA-N 2 0 331.420 1.244 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659542801 452402045 /nfs/dbraw/zinc/40/20/45/452402045.db2.gz NTERBXDZEXSMAL-QAPCUYQASA-N 2 0 345.491 1.733 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652209753 452404181 /nfs/dbraw/zinc/40/41/81/452404181.db2.gz WAQUODLUDGMZFA-JONQDZQNSA-N 2 0 326.485 1.432 20 0 EDADRP COCC1(CNC(=O)NCc2ccc(C[NH3+])cc2F)CC[NH2+]CC1 ZINC000652218202 452412489 /nfs/dbraw/zinc/41/24/89/452412489.db2.gz BGXUIRHLWZSNES-UHFFFAOYSA-N 2 0 338.427 1.100 20 0 EDADRP [NH3+]CC1(CCNC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000659559049 452414097 /nfs/dbraw/zinc/41/40/97/452414097.db2.gz IAIQWAKPEFQXKM-KRWDZBQOSA-N 2 0 346.475 1.181 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCC2([NH3+])CCCC2)CC1 ZINC000659571903 452428064 /nfs/dbraw/zinc/42/80/64/452428064.db2.gz NKYWMMTZCOMSGV-INIZCTEOSA-N 2 0 337.512 1.069 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000659587910 452443638 /nfs/dbraw/zinc/44/36/38/452443638.db2.gz MAJLNQNVNWMTNZ-ROUUACIJSA-N 2 0 348.491 1.734 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654392535 452445194 /nfs/dbraw/zinc/44/51/94/452445194.db2.gz BBSBSTXBKJIFGA-OKZBNKHCSA-N 2 0 332.492 1.799 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CNc2ccccc2C1 ZINC000652262525 452452377 /nfs/dbraw/zinc/45/23/77/452452377.db2.gz XNOVGQLYICJHHZ-MRXNPFEDSA-N 2 0 333.480 1.158 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCN(C(=O)NCCC3CC[NH2+]CC3)C2)C1 ZINC000652325735 452498285 /nfs/dbraw/zinc/49/82/85/452498285.db2.gz XZFSWEPOJDYNIW-GVDBMIGSSA-N 2 0 338.496 1.304 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N1CCC[N@H+](Cc2ccc(OC)cc2)CC1 ZINC000659637102 452501357 /nfs/dbraw/zinc/50/13/57/452501357.db2.gz DABPZUMYUXUYDY-HNNXBMFYSA-N 2 0 334.464 1.520 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655688958 452513118 /nfs/dbraw/zinc/51/31/18/452513118.db2.gz QMZUUIHNKCUJLQ-LJQANCHMSA-N 2 0 338.540 1.247 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(OC)c1 ZINC000647788992 452522053 /nfs/dbraw/zinc/52/20/53/452522053.db2.gz WNRCAYYGGZMQCD-XLAORIBOSA-N 2 0 348.487 1.833 20 0 EDADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346754 452523040 /nfs/dbraw/zinc/52/30/40/452523040.db2.gz GWVKHGIXYIHOCB-SOUVJXGZSA-N 2 0 325.478 1.437 20 0 EDADRP CC(C)(C)CCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362130 452545423 /nfs/dbraw/zinc/54/54/23/452545423.db2.gz YPFKEVLJUNIRKZ-ARFHVFGLSA-N 2 0 325.497 1.900 20 0 EDADRP CCN(C(=O)NC1CC[NH+](CCOC)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000663826369 452554134 /nfs/dbraw/zinc/55/41/34/452554134.db2.gz RSKWTPLCZOXOPZ-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654487534 452559989 /nfs/dbraw/zinc/55/99/89/452559989.db2.gz LRMRYTWWAPBGNP-MWDXBVQZSA-N 2 0 340.512 1.658 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000663849342 452576676 /nfs/dbraw/zinc/57/66/76/452576676.db2.gz IDZOVKQTGYTZSB-CRAIPNDOSA-N 2 0 333.476 1.341 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654528593 452609048 /nfs/dbraw/zinc/60/90/48/452609048.db2.gz XOFVLLBVPXBVCY-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655907213 452665165 /nfs/dbraw/zinc/66/51/65/452665165.db2.gz DMXOKGVCMQDMOD-IAGOWNOFSA-N 2 0 329.448 1.866 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)NC[C@H](C)OC)CC2)CC1 ZINC000666216230 452692396 /nfs/dbraw/zinc/69/23/96/452692396.db2.gz GLGCOAITSSSQNL-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655927815 452694961 /nfs/dbraw/zinc/69/49/61/452694961.db2.gz JVVIVWVSXNSJIZ-UONOGXRCSA-N 2 0 344.381 1.697 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCN([C@@H]3CCOC3)CC2)C1 ZINC000664002548 452704310 /nfs/dbraw/zinc/70/43/10/452704310.db2.gz HXXMVQMBAAYAGI-IAGOWNOFSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000647975636 452721587 /nfs/dbraw/zinc/72/15/87/452721587.db2.gz DACVLZMKFXPELE-MSOLQXFVSA-N 2 0 345.487 1.893 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000658126770 452739271 /nfs/dbraw/zinc/73/92/71/452739271.db2.gz ZLDFHXCARRXQDV-MRXNPFEDSA-N 2 0 346.475 1.676 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](N(C)c3ccccc3)C2)CC1 ZINC000662016010 452771423 /nfs/dbraw/zinc/77/14/23/452771423.db2.gz DJXXYRFPGBEZCF-LJQANCHMSA-N 2 0 344.503 1.798 20 0 EDADRP Cc1ccc(-c2nn(C)cc2CN(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000648035184 452772250 /nfs/dbraw/zinc/77/22/50/452772250.db2.gz VPMKJYMATFAOFN-UHFFFAOYSA-N 2 0 333.480 1.914 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000652624719 452784341 /nfs/dbraw/zinc/78/43/41/452784341.db2.gz NMYHUBLULMOLFU-CQSZACIVSA-N 2 0 334.464 1.739 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652633960 452791484 /nfs/dbraw/zinc/79/14/84/452791484.db2.gz JBKSHJJKNKVIIT-UHFFFAOYSA-N 2 0 346.475 1.712 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648115258 452830843 /nfs/dbraw/zinc/83/08/43/452830843.db2.gz MMTWJNQMXNILRS-MRXNPFEDSA-N 2 0 336.439 1.937 20 0 EDADRP CC(C)c1cc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)n2ncnc2n1 ZINC000664197244 452869306 /nfs/dbraw/zinc/86/93/06/452869306.db2.gz SNNZJZMBYRUWGF-AWEZNQCLSA-N 2 0 333.484 1.932 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)C1 ZINC000656127106 452880921 /nfs/dbraw/zinc/88/09/21/452880921.db2.gz NMTNFAPJUXSCPC-GDLCADMTSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC2([NH3+])CCC2)c2ccccc2)CC1 ZINC000645904383 452890798 /nfs/dbraw/zinc/89/07/98/452890798.db2.gz YHQKQTATXAFFEP-KRWDZBQOSA-N 2 0 330.476 1.363 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCC[NH2+]1 ZINC000648179015 452892481 /nfs/dbraw/zinc/89/24/81/452892481.db2.gz LKBMIPJXQPGUPC-SOLBZPMBSA-N 2 0 335.423 1.238 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH2+][C@H](C)c1ccccc1 ZINC000645964460 452948251 /nfs/dbraw/zinc/94/82/51/452948251.db2.gz VNUNJYJCCWHKQW-NXHRZFHOSA-N 2 0 333.476 1.857 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977881 452965847 /nfs/dbraw/zinc/96/58/47/452965847.db2.gz MIYIOTVAGMHEMP-PKOBYXMFSA-N 2 0 344.503 1.751 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000662287413 453011750 /nfs/dbraw/zinc/01/17/50/453011750.db2.gz ZOEBEHORWUEGMD-BBRMVZONSA-N 2 0 325.478 1.544 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C2=O)cn1 ZINC000662292564 453014680 /nfs/dbraw/zinc/01/46/80/453014680.db2.gz OCUZTWPXOAVMAO-SJLPKXTDSA-N 2 0 345.491 1.627 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CCCCC2)CC1 ZINC000650824349 453029123 /nfs/dbraw/zinc/02/91/23/453029123.db2.gz LLEYGONHDARDJC-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2nnnn2CC2CCOCC2)[C@@H]1CCC[NH3+] ZINC000662315272 453030732 /nfs/dbraw/zinc/03/07/32/453030732.db2.gz GZWWVYXRMNTCOA-GDBMZVCRSA-N 2 0 336.484 1.439 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCS[C@@H](c3ccccc3)C2)C1 ZINC000666640982 453031128 /nfs/dbraw/zinc/03/11/28/453031128.db2.gz UHMMSYFQSQOEMZ-NVXWUHKLSA-N 2 0 333.501 1.974 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC([NH+]3CCC[C@H]3C(N)=O)CC2)C1 ZINC000660120167 453047540 /nfs/dbraw/zinc/04/75/40/453047540.db2.gz DRJJLXCONKSUIE-JZXOWHBKSA-N 2 0 336.524 1.378 20 0 EDADRP c1c([C@H]2CCC[N@@H+](CC[C@@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338257 453056343 /nfs/dbraw/zinc/05/63/43/453056343.db2.gz PLTYTXFJSIUOKZ-HOTGVXAUSA-N 2 0 333.480 1.568 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)CC1 ZINC000666682973 453062878 /nfs/dbraw/zinc/06/28/78/453062878.db2.gz OLCCKNJMDVCXCZ-CABCVRRESA-N 2 0 331.464 1.639 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662382332 453092999 /nfs/dbraw/zinc/09/29/99/453092999.db2.gz SBXCYVJISOQTBI-SFHVURJKSA-N 2 0 333.476 1.782 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000662387386 453097674 /nfs/dbraw/zinc/09/76/74/453097674.db2.gz UAMHKFYCXGQQGO-IBGZPJMESA-N 2 0 343.471 1.792 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666723797 453099786 /nfs/dbraw/zinc/09/97/86/453099786.db2.gz LEUJXKICTUYWFO-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662484519 453200878 /nfs/dbraw/zinc/20/08/78/453200878.db2.gz KMUJALLALOOROC-AWEZNQCLSA-N 2 0 334.464 1.946 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334758 453223775 /nfs/dbraw/zinc/22/37/75/453223775.db2.gz QJMINHDJLZSMMM-WOJBJXKFSA-N 2 0 349.519 1.256 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334757 453224007 /nfs/dbraw/zinc/22/40/07/453224007.db2.gz QJMINHDJLZSMMM-VQTJNVASSA-N 2 0 349.519 1.256 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC[N@@H+]1C ZINC000648766239 453245922 /nfs/dbraw/zinc/24/59/22/453245922.db2.gz LHLXSQVPMFTGEI-BHIYHBOVSA-N 2 0 344.503 1.432 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666971854 453287699 /nfs/dbraw/zinc/28/76/99/453287699.db2.gz IQPXQQUGQUCPKQ-QGZVFWFLSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000662578610 453304928 /nfs/dbraw/zinc/30/49/28/453304928.db2.gz SYASMQCFDNNGHR-JKSUJKDBSA-N 2 0 345.491 1.710 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653117424 453305727 /nfs/dbraw/zinc/30/57/27/453305727.db2.gz LJVSICRFQHTQMA-QOKNQOGYSA-N 2 0 331.460 1.468 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653120182 453310966 /nfs/dbraw/zinc/31/09/66/453310966.db2.gz IVEBWRAGJOFFGD-DLBZAZTESA-N 2 0 335.492 1.668 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662597034 453322578 /nfs/dbraw/zinc/32/25/78/453322578.db2.gz VYQXOPSMWPBCFG-MIALQEHNSA-N 2 0 349.519 1.757 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[C@@H](C)[NH3+] ZINC000662613434 453331698 /nfs/dbraw/zinc/33/16/98/453331698.db2.gz FZJGQNGENAVUGA-RHSMWYFYSA-N 2 0 325.497 1.613 20 0 EDADRP [NH3+]C[C@@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662614509 453333690 /nfs/dbraw/zinc/33/36/90/453333690.db2.gz RMSNUTWRCWHCAD-LJQANCHMSA-N 2 0 345.487 1.736 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646367848 453350170 /nfs/dbraw/zinc/35/01/70/453350170.db2.gz SGZVWMKRTXQTRC-GGXPGOJBSA-N 2 0 335.492 1.367 20 0 EDADRP COC[C@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000662637929 453354268 /nfs/dbraw/zinc/35/42/68/453354268.db2.gz MMJDFOQHPWTFDH-IBGZPJMESA-N 2 0 346.475 1.036 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384619 453359254 /nfs/dbraw/zinc/35/92/54/453359254.db2.gz LQJCZSIWFZUJLO-RRFJBIMHSA-N 2 0 331.464 1.338 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000646385544 453359433 /nfs/dbraw/zinc/35/94/33/453359433.db2.gz WQEYRECBOHRAQB-JKSUJKDBSA-N 2 0 330.476 1.874 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662662963 453375276 /nfs/dbraw/zinc/37/52/76/453375276.db2.gz AXCPTILLMVJWFR-OAHLLOKOSA-N 2 0 334.468 1.007 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653191537 453382788 /nfs/dbraw/zinc/38/27/88/453382788.db2.gz XKBMYHJBSSLGHD-XLAORIBOSA-N 2 0 331.460 1.474 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000667094530 453401658 /nfs/dbraw/zinc/40/16/58/453401658.db2.gz VXJVCKHHCXAVDU-OAHLLOKOSA-N 2 0 332.448 1.334 20 0 EDADRP C[C@@H]1OC(C)(C)[NH2+][C@@H]1CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000667148573 453439462 /nfs/dbraw/zinc/43/94/62/453439462.db2.gz CWAAYKJUVNMIAD-SMDDNHRTSA-N 2 0 330.392 1.502 20 0 EDADRP CN(C(=O)[C@H]1CCO[C@@H]1C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000662720040 453443419 /nfs/dbraw/zinc/44/34/19/453443419.db2.gz PGZZGEOAIHPRFN-ZWKOTPCHSA-N 2 0 331.460 1.473 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2)N1CC[NH2+]CC1 ZINC000656784483 453447170 /nfs/dbraw/zinc/44/71/70/453447170.db2.gz BEQGWVVLBAAFLO-MRXNPFEDSA-N 3 0 342.409 1.258 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000664870351 453455455 /nfs/dbraw/zinc/45/54/55/453455455.db2.gz OLZRYPNHJSELPG-LAVFITLUSA-N 2 0 348.491 1.303 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000662730626 453457757 /nfs/dbraw/zinc/45/77/57/453457757.db2.gz LMLZGWFRXMWILN-HDDXRBDOSA-N 2 0 343.471 1.662 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000662741017 453466927 /nfs/dbraw/zinc/46/69/27/453466927.db2.gz BXILQHHVKSYBIF-KSZLIROESA-N 2 0 330.476 1.046 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)[C@@H](C[NH3+])C1 ZINC000667193203 453467214 /nfs/dbraw/zinc/46/72/14/453467214.db2.gz UBNWSKRHRNYABM-AWEZNQCLSA-N 2 0 326.404 1.250 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000646557926 453470506 /nfs/dbraw/zinc/47/05/06/453470506.db2.gz MHCSSEPTDBEVJB-VKJFTORMSA-N 2 0 338.496 1.001 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662748377 453477604 /nfs/dbraw/zinc/47/76/04/453477604.db2.gz RNBBSVBXYKYWPW-HZPDHXFCSA-N 2 0 348.495 1.397 20 0 EDADRP C[C@@H]1Oc2ccccc2[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664916594 453481160 /nfs/dbraw/zinc/48/11/60/453481160.db2.gz PZHJRJBBPMZFAV-YOEHRIQHSA-N 2 0 334.464 1.691 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662750838 453485063 /nfs/dbraw/zinc/48/50/63/453485063.db2.gz UDJXVXVXHNURLJ-YPMHNXCESA-N 2 0 325.375 1.001 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000667266175 453525200 /nfs/dbraw/zinc/52/52/00/453525200.db2.gz OXJRYILEPZWDQP-QGZVFWFLSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)c1 ZINC000655443970 453531419 /nfs/dbraw/zinc/53/14/19/453531419.db2.gz FMXWCVNQWVIWDJ-IEBWSBKVSA-N 2 0 331.460 1.633 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn([C@@H]4CCC[NH2+]CC4)nn3)CC[C@H]21 ZINC000662804715 453540042 /nfs/dbraw/zinc/54/00/42/453540042.db2.gz RYFYEVPNCITLOU-BFYDXBDKSA-N 2 0 346.479 1.149 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000658973146 453557927 /nfs/dbraw/zinc/55/79/27/453557927.db2.gz PPEMKKABEUABKP-AEFFLSMTSA-N 2 0 330.476 1.394 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000662833118 453559873 /nfs/dbraw/zinc/55/98/73/453559873.db2.gz MPMWBTPSITXCPK-ZWKOTPCHSA-N 2 0 349.450 1.581 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858065 453573921 /nfs/dbraw/zinc/57/39/21/453573921.db2.gz DRMABYCWTSDLJT-SJORKVTESA-N 2 0 331.460 1.258 20 0 EDADRP CC[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000660786243 453574104 /nfs/dbraw/zinc/57/41/04/453574104.db2.gz IUPNKPBSMBVWFE-MJGOQNOKSA-N 2 0 346.519 1.822 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662886975 453588514 /nfs/dbraw/zinc/58/85/14/453588514.db2.gz QNWWRCQONOENCR-HZPDHXFCSA-N 2 0 348.495 1.443 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041700 453596433 /nfs/dbraw/zinc/59/64/33/453596433.db2.gz KTVRRCIXPZWGEG-IRXDYDNUSA-N 2 0 332.448 1.905 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000660842564 453602050 /nfs/dbraw/zinc/60/20/50/453602050.db2.gz XLYPHFOCOXRZIP-SJLPKXTDSA-N 2 0 328.460 1.797 20 0 EDADRP COC[C@@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259465 453628729 /nfs/dbraw/zinc/62/87/29/453628729.db2.gz GWLHQUPBSYPIJX-BFYDXBDKSA-N 2 0 339.455 1.623 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659096365 453629414 /nfs/dbraw/zinc/62/94/14/453629414.db2.gz PGPDRRPIIBLEKZ-MRXNPFEDSA-N 2 0 346.475 1.724 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000659096703 453629439 /nfs/dbraw/zinc/62/94/39/453629439.db2.gz FUVAREJTAUJYJA-UHFFFAOYSA-N 2 0 346.475 1.459 20 0 EDADRP C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000662972751 453631017 /nfs/dbraw/zinc/63/10/17/453631017.db2.gz LFIZDAAYGSPGSL-JQHSSLGASA-N 2 0 333.476 1.892 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662973329 453631689 /nfs/dbraw/zinc/63/16/89/453631689.db2.gz ZBVYYVZDYSELOI-OAHLLOKOSA-N 2 0 331.464 1.338 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660885794 453632433 /nfs/dbraw/zinc/63/24/33/453632433.db2.gz ARJYHIRJBXEOTD-XOKHGSTOSA-N 2 0 336.480 1.022 20 0 EDADRP C[C@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000665283319 453634751 /nfs/dbraw/zinc/63/47/51/453634751.db2.gz LNQWOWCSDBCGKR-DFQSSKMNSA-N 2 0 330.520 1.923 20 0 EDADRP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292996 453639571 /nfs/dbraw/zinc/63/95/71/453639571.db2.gz ONAPNZJXYCZUKD-LLVKDONJSA-N 2 0 326.404 1.628 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000663000316 453642555 /nfs/dbraw/zinc/64/25/55/453642555.db2.gz GFPOLEDQEJLSHE-LPHOPBHVSA-N 2 0 327.472 1.939 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)CC1 ZINC000665363980 453668752 /nfs/dbraw/zinc/66/87/52/453668752.db2.gz HAACKKBJVUDGKC-MRXNPFEDSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657305434 453762973 /nfs/dbraw/zinc/76/29/73/453762973.db2.gz XQGDQYIGZOWTEY-IBGZPJMESA-N 2 0 347.503 1.970 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000663505469 453811804 /nfs/dbraw/zinc/81/18/04/453811804.db2.gz INXIAHUWQGFZJP-KZNAEPCWSA-N 3 0 336.524 1.487 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C2CC[NH+](C)CC2)[N@H+](C)C1 ZINC000671587053 486655939 /nfs/dbraw/zinc/65/59/39/486655939.db2.gz GGLIBVOEUQZHIO-BPUTZDHNSA-N 2 0 326.485 1.077 20 0 EDADRP Cc1ncc(CN2CCN(CC(=O)N[C@H]3CCC[C@@H](C)C3)CC2)n1C ZINC000667594557 486864242 /nfs/dbraw/zinc/86/42/42/486864242.db2.gz HRWSNDQJYSEWGA-WBVHZDCISA-N 2 0 347.507 1.541 20 0 EDADRP C[C@H](CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000673015669 486880456 /nfs/dbraw/zinc/88/04/56/486880456.db2.gz ZKVYLQIRCHJJMH-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000670393267 486892419 /nfs/dbraw/zinc/89/24/19/486892419.db2.gz SYZBCZVDITXRSC-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000431025474 486902444 /nfs/dbraw/zinc/90/24/44/486902444.db2.gz SYFLVIGUSQPXCY-CEXWTWQISA-N 2 0 344.503 1.609 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000681257422 486992669 /nfs/dbraw/zinc/99/26/69/486992669.db2.gz LECBGGIATJZVOF-UKRRQHHQSA-N 2 0 338.496 1.094 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000681274427 486998364 /nfs/dbraw/zinc/99/83/64/486998364.db2.gz OUXLYXQMHGEWDN-RDJZCZTQSA-N 2 0 338.540 1.780 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC2CC[NH+](C3CCCC3)CC2)cn1 ZINC000674025117 487185700 /nfs/dbraw/zinc/18/57/00/487185700.db2.gz MQJPFCTXJAAANN-UHFFFAOYSA-N 2 0 348.495 1.973 20 0 EDADRP CSc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000682239002 487327904 /nfs/dbraw/zinc/32/79/04/487327904.db2.gz ANCFRDFWORXSLH-UHFFFAOYSA-N 2 0 325.482 1.761 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000682275017 487333931 /nfs/dbraw/zinc/33/39/31/487333931.db2.gz YOZAOWVTIKRNQI-INIZCTEOSA-N 2 0 346.475 1.677 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000682275018 487333997 /nfs/dbraw/zinc/33/39/97/487333997.db2.gz YOZAOWVTIKRNQI-MRXNPFEDSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000678699396 487353056 /nfs/dbraw/zinc/35/30/56/487353056.db2.gz NPRQAAVNYZYJCF-HIFRSBDPSA-N 2 0 341.477 1.509 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000669530091 485505218 /nfs/dbraw/zinc/50/52/18/485505218.db2.gz PYGVNQNMQXZMRP-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556932 485560100 /nfs/dbraw/zinc/56/01/00/485560100.db2.gz OJAVPKFXEAHNGO-XOYOTBSWSA-N 2 0 330.476 1.934 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)CCC(F)(F)F ZINC000669570123 485587760 /nfs/dbraw/zinc/58/77/60/485587760.db2.gz RQJSDMJKUXAZPG-VXGBXAGGSA-N 2 0 340.390 1.018 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000669600537 485676457 /nfs/dbraw/zinc/67/64/57/485676457.db2.gz WXYQJSOEUWRLHR-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000089903133 485794383 /nfs/dbraw/zinc/79/43/83/485794383.db2.gz LUNROPAJNRXFMK-IAGOWNOFSA-N 2 0 339.524 1.706 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC/C=C\C[NH3+])[NH+]2CCCC2)cc1 ZINC000668592644 485928514 /nfs/dbraw/zinc/92/85/14/485928514.db2.gz KOGRUZYWUQXKPB-KYVUIXNKSA-N 2 0 332.448 1.646 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669366062 486013001 /nfs/dbraw/zinc/01/30/01/486013001.db2.gz VAAXHUJIARLCAC-VVLHAWIVSA-N 2 0 340.512 1.502 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCCC[NH2+]1 ZINC000423924973 486015202 /nfs/dbraw/zinc/01/52/02/486015202.db2.gz APRQBACOVRPIHG-ZMSDIMECSA-N 2 0 333.480 1.404 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000675196143 486058306 /nfs/dbraw/zinc/05/83/06/486058306.db2.gz ZMHPPHGJXJYPTG-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(F)cc1 ZINC000669398665 486059335 /nfs/dbraw/zinc/05/93/35/486059335.db2.gz NZDXFOYILYZDEB-RRQGHBQHSA-N 2 0 334.439 1.822 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669401005 486065353 /nfs/dbraw/zinc/06/53/53/486065353.db2.gz ZXNFXODAKSHYQT-OKZBNKHCSA-N 2 0 330.476 1.553 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669401004 486065434 /nfs/dbraw/zinc/06/54/34/486065434.db2.gz ZXNFXODAKSHYQT-FGTMMUONSA-N 2 0 330.476 1.553 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CCO1 ZINC000669402870 486073048 /nfs/dbraw/zinc/07/30/48/486073048.db2.gz RCZCSSNORQUVLV-AESZEHBQSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669406517 486080762 /nfs/dbraw/zinc/08/07/62/486080762.db2.gz UMENZPBDUBHKBM-QLFBSQMISA-N 2 0 326.485 1.255 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)C1CCC1 ZINC000667812294 486089900 /nfs/dbraw/zinc/08/99/00/486089900.db2.gz IVGVTALTLZIKEX-IAGOWNOFSA-N 2 0 325.497 1.676 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H](C)C2CC[NH+](C)CC2)s1 ZINC000090582439 491199483 /nfs/dbraw/zinc/19/94/83/491199483.db2.gz WJJIHDGLIXBSNE-ZDUSSCGKSA-N 2 0 345.534 1.655 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000669007215 491183864 /nfs/dbraw/zinc/18/38/64/491183864.db2.gz IWTWTSZCWMFJLO-NUJGCVRESA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000155126193 533839213 /nfs/dbraw/zinc/83/92/13/533839213.db2.gz CMRRJMVXJLVPFB-GJZGRUSLSA-N 2 0 339.505 1.377 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000168093061 534821166 /nfs/dbraw/zinc/82/11/66/534821166.db2.gz LBKJVJYCGAOTNB-RBUKOAKNSA-N 2 0 345.487 1.690 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158813536 527819251 /nfs/dbraw/zinc/81/92/51/527819251.db2.gz NAZUJBDRVRKKKA-HKUYNNGSSA-N 2 0 346.519 1.679 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000352936938 536543781 /nfs/dbraw/zinc/54/37/81/536543781.db2.gz DABMRTOFZHNXKJ-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000237195343 536545439 /nfs/dbraw/zinc/54/54/39/536545439.db2.gz BXCNXGATKJWPPY-YJBOKZPZSA-N 2 0 333.476 1.940 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000270632197 535186795 /nfs/dbraw/zinc/18/67/95/535186795.db2.gz JIJBCAOMWVKIHO-UHFFFAOYSA-N 2 0 349.479 1.258 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3[C@H](C)CCC[C@H]3C)C2)CC1 ZINC000245935006 535734205 /nfs/dbraw/zinc/73/42/05/535734205.db2.gz RSAABAJTHLMFQD-KZNAEPCWSA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@@H]([NH3+])CC(F)F)CC1 ZINC000345728721 535756081 /nfs/dbraw/zinc/75/60/81/535756081.db2.gz LSIJLRMYMNEFKC-LBPRGKRZSA-N 2 0 326.391 1.750 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)cc1 ZINC000271906028 535889492 /nfs/dbraw/zinc/88/94/92/535889492.db2.gz WQNHXWGSEROLKU-KZNAEPCWSA-N 2 0 345.487 1.881 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262665419 535951195 /nfs/dbraw/zinc/95/11/95/535951195.db2.gz JKLUDXKCVUFTJD-IPELMVKDSA-N 2 0 347.503 1.922 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000347991532 536179619 /nfs/dbraw/zinc/17/96/19/536179619.db2.gz MWZHYDDOKZMGAS-BZSNNMDCSA-N 2 0 334.508 1.987 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@H]21 ZINC000262188591 536378989 /nfs/dbraw/zinc/37/89/89/536378989.db2.gz JLLIYDSIEQVIEA-DKSSEZFCSA-N 2 0 340.471 1.980 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@@H]([NH3+])c3ccccc3)ccn2)CC1 ZINC000237237125 536419059 /nfs/dbraw/zinc/41/90/59/536419059.db2.gz CAHCGBJKIIOPEG-QGZVFWFLSA-N 2 0 339.443 1.263 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262964768 536570334 /nfs/dbraw/zinc/57/03/34/536570334.db2.gz WYBRQEYEBDUSDS-JHDROBOHSA-N 2 0 333.476 1.623 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N(C)C(C)C)CC1 ZINC000347583932 536777963 /nfs/dbraw/zinc/77/79/63/536777963.db2.gz GOVSSHQQKHTMFS-UHFFFAOYSA-N 2 0 327.513 1.924 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000727033901 578510544 /nfs/dbraw/zinc/51/05/44/578510544.db2.gz ZGXLNFNQWYAYRL-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734283126 578806605 /nfs/dbraw/zinc/80/66/05/578806605.db2.gz QGDSGTUDPCSNCZ-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@H](C)[NH+]2CCCCC2)CC[N@@H+]1CCOC ZINC000735385284 578880787 /nfs/dbraw/zinc/88/07/87/578880787.db2.gz XHROFPCUHRCZLN-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1nn(C)c2nc(Cl)c(C[NH2+]CCOCC[NH+](C)C)cc12 ZINC000788070734 578887134 /nfs/dbraw/zinc/88/71/34/578887134.db2.gz KJTWDBSBESHQCK-UHFFFAOYSA-N 2 0 325.844 1.598 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736759845 579018261 /nfs/dbraw/zinc/01/82/61/579018261.db2.gz XPBTZDHKOJRALO-ZDUSSCGKSA-N 2 0 343.435 1.079 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000748324928 579679603 /nfs/dbraw/zinc/67/96/03/579679603.db2.gz UTRNOZQZWDQXKK-GOSISDBHSA-N 2 0 342.487 1.990 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@]1([NH+](C)C)CCSC1 ZINC000748603439 579694825 /nfs/dbraw/zinc/69/48/25/579694825.db2.gz VVBHLZVGKGRSOT-HIFRSBDPSA-N 2 0 330.567 1.372 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000749512481 579729075 /nfs/dbraw/zinc/72/90/75/579729075.db2.gz AIPARBZFDARIKL-QFBILLFUSA-N 2 0 343.471 1.999 20 0 EDADRP C[NH+](C)CCCNC(=S)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000767685098 580196911 /nfs/dbraw/zinc/19/69/11/580196911.db2.gz LTFODTKSFYUINX-CVEARBPZSA-N 2 0 342.553 1.170 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775365645 580389299 /nfs/dbraw/zinc/38/92/99/580389299.db2.gz XGKYVPBXWDGFRM-RBSFLKMASA-N 2 0 329.579 1.982 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC=CO1 ZINC000780748201 580532879 /nfs/dbraw/zinc/53/28/79/580532879.db2.gz KQXXZONUUJBXAO-SJORKVTESA-N 2 0 338.496 1.737 20 0 EDADRP CCNS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000780879170 580536346 /nfs/dbraw/zinc/53/63/46/580536346.db2.gz RXPXKRBIFBWCJH-NVXWUHKLSA-N 2 0 339.505 1.426 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000783920778 580608438 /nfs/dbraw/zinc/60/84/38/580608438.db2.gz OUMCYDGELIINPA-WMZOPIPTSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)CC1 ZINC000788471802 580722217 /nfs/dbraw/zinc/72/22/17/580722217.db2.gz UAGZBUVDRXJIJB-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)COC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000792566540 580823204 /nfs/dbraw/zinc/82/32/04/580823204.db2.gz XQRGGLJHTWNKQE-UHFFFAOYSA-N 2 0 344.415 1.480 20 0 EDADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891865692 590661893 /nfs/dbraw/zinc/66/18/93/590661893.db2.gz UAQFQVSBWXMHSD-YIOUJQMASA-N 2 0 346.397 1.547 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891910985 590682196 /nfs/dbraw/zinc/68/21/96/590682196.db2.gz XEBSNQUQYQXPAE-UPJWGTAASA-N 2 0 338.418 1.885 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)CC1 ZINC000891977682 590719983 /nfs/dbraw/zinc/71/99/83/590719983.db2.gz NUCMMNSPVQPKLX-UHFFFAOYSA-N 2 0 337.512 1.069 20 0 EDADRP CC(C)C[C@H]([NH2+]C[C@H]1C[C@]1(C)Br)C(=O)NCC[NH+](C)C ZINC000893260833 590740830 /nfs/dbraw/zinc/74/08/30/590740830.db2.gz RIWLSYCOPAEIAV-IPYPFGDCSA-N 2 0 348.329 1.842 20 0 EDADRP CC(C)C[C@H]([NH2+]C[C@@H]1C[C@@]1(C)Br)C(=O)NCC[NH+](C)C ZINC000893260834 590740919 /nfs/dbraw/zinc/74/09/19/590740919.db2.gz RIWLSYCOPAEIAV-KCQAQPDRSA-N 2 0 348.329 1.842 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1 ZINC000892030456 590761373 /nfs/dbraw/zinc/76/13/73/590761373.db2.gz JYRSKOMBZKGFSU-SFHVURJKSA-N 2 0 346.475 1.629 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000892040221 590766457 /nfs/dbraw/zinc/76/64/57/590766457.db2.gz JXKUSNJJHZAGCS-WBVHZDCISA-N 2 0 334.464 1.869 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)NC[C@H](C)C[NH3+])C2)c1 ZINC000892044479 590769130 /nfs/dbraw/zinc/76/91/30/590769130.db2.gz KUJBKLJTUOOWQX-NVXWUHKLSA-N 2 0 334.464 1.090 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893320813 590777710 /nfs/dbraw/zinc/77/77/10/590777710.db2.gz RVMMJOAZZMGDOQ-JKSUJKDBSA-N 2 0 329.460 1.237 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000892091140 590793996 /nfs/dbraw/zinc/79/39/96/590793996.db2.gz IXUZCFKVUIQDSD-ROUUACIJSA-N 2 0 346.475 1.869 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892157634 590829656 /nfs/dbraw/zinc/82/96/56/590829656.db2.gz ZYMJVXSOCBEWIX-CQSZACIVSA-N 2 0 332.439 1.891 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000893398225 590843366 /nfs/dbraw/zinc/84/33/66/590843366.db2.gz HXNIXWZMUZNKMY-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1C(F)(F)F ZINC000892186761 590853995 /nfs/dbraw/zinc/85/39/95/590853995.db2.gz CCWOBECSBOASIS-VEGXAWMVSA-N 2 0 334.386 1.153 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000892237052 590880632 /nfs/dbraw/zinc/88/06/32/590880632.db2.gz WAAHTKCXZBAHLP-LESCRADOSA-N 2 0 346.475 1.691 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C2 ZINC000892255821 590888907 /nfs/dbraw/zinc/88/89/07/590888907.db2.gz VNXRFYQXCAVABT-KNIMUDFMSA-N 2 0 346.450 1.522 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000892411845 591017415 /nfs/dbraw/zinc/01/74/15/591017415.db2.gz PHFGZRXBHGPDHJ-IEBWSBKVSA-N 2 0 330.476 1.732 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Cc1ccccc1 ZINC000892412227 591017587 /nfs/dbraw/zinc/01/75/87/591017587.db2.gz QLHRLHMQLCPOJG-CEXWTWQISA-N 2 0 344.503 1.978 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892469754 591038418 /nfs/dbraw/zinc/03/84/18/591038418.db2.gz KEOKYPKGWLYNGP-UHFFFAOYSA-N 2 0 337.512 1.020 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484146 591044002 /nfs/dbraw/zinc/04/40/02/591044002.db2.gz ZONIUBYTKAXDLA-INIZCTEOSA-N 2 0 341.544 1.290 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000891363375 591061080 /nfs/dbraw/zinc/06/10/80/591061080.db2.gz GUSUDPGKUNEARR-OKZBNKHCSA-N 2 0 328.460 1.627 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC000891364816 591062001 /nfs/dbraw/zinc/06/20/01/591062001.db2.gz YKMWXSWVRWDUGW-LPWJVIDDSA-N 2 0 334.386 1.392 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892563224 591073945 /nfs/dbraw/zinc/07/39/45/591073945.db2.gz PZWFPDMNLBNCOZ-IRXDYDNUSA-N 2 0 343.487 1.627 20 0 EDADRP CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000892577317 591078531 /nfs/dbraw/zinc/07/85/31/591078531.db2.gz FBRYCDBSTPBJPN-WKILWMFISA-N 2 0 345.491 1.467 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)N[C@@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608712 591092625 /nfs/dbraw/zinc/09/26/25/591092625.db2.gz HKMPXNKTXBEENM-HKUYNNGSSA-N 2 0 346.475 1.247 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891493139 591093910 /nfs/dbraw/zinc/09/39/10/591093910.db2.gz MBZAPMKAZAPHQB-MRXNPFEDSA-N 2 0 340.512 1.565 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891517958 591103681 /nfs/dbraw/zinc/10/36/81/591103681.db2.gz NWZUONKHFRMVFU-QAPCUYQASA-N 2 0 336.480 1.215 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000891544756 591118354 /nfs/dbraw/zinc/11/83/54/591118354.db2.gz DHLCRHVXJUDRSC-KRWDZBQOSA-N 2 0 332.448 1.445 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC[N@H+](C)C2CC2)c1 ZINC000891544758 591118694 /nfs/dbraw/zinc/11/86/94/591118694.db2.gz DHLCRHVXJUDRSC-QGZVFWFLSA-N 2 0 332.448 1.445 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000891634105 591160188 /nfs/dbraw/zinc/16/01/88/591160188.db2.gz FAIJIZYMKNIXJF-QGZVFWFLSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCC1(C)C ZINC000892759609 591164696 /nfs/dbraw/zinc/16/46/96/591164696.db2.gz KEZMXTSJWRDZJO-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000892789881 591179942 /nfs/dbraw/zinc/17/99/42/591179942.db2.gz UXSQAVBSNZAPTL-QRVBRYPASA-N 2 0 342.487 1.732 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892797430 591181259 /nfs/dbraw/zinc/18/12/59/591181259.db2.gz NXYLTJMRRPQDGO-MNEFBYGVSA-N 2 0 342.487 1.969 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)CC[C@H]21 ZINC000892804295 591183491 /nfs/dbraw/zinc/18/34/91/591183491.db2.gz SFLPBPUDQRHZCN-CEXWTWQISA-N 2 0 342.487 1.827 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891757894 591214145 /nfs/dbraw/zinc/21/41/45/591214145.db2.gz ADALDFRRUNCGKE-BGTYHANMSA-N 2 0 328.460 1.653 20 0 EDADRP COCCOc1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)o1 ZINC000892947489 591235782 /nfs/dbraw/zinc/23/57/82/591235782.db2.gz DTUOPJVJSNPADF-HNNXBMFYSA-N 2 0 337.464 1.563 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000893025424 591258781 /nfs/dbraw/zinc/25/87/81/591258781.db2.gz ZYDBDMBQVGLEJX-MRXNPFEDSA-N 2 0 339.528 1.232 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1(F)F ZINC000894332737 591281196 /nfs/dbraw/zinc/28/11/96/591281196.db2.gz QNZZTPVEANNPCE-YJNKXOJESA-N 2 0 346.418 1.398 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)c2c1OC(F)(F)O2 ZINC000894358525 591288685 /nfs/dbraw/zinc/28/86/85/591288685.db2.gz GPXAQYNDCMGRPO-HNNXBMFYSA-N 2 0 344.358 1.311 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897407808 591368436 /nfs/dbraw/zinc/36/84/36/591368436.db2.gz DSDDMYWPYDCOQJ-LZQZEXGQSA-N 2 0 343.471 1.344 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000896609751 591552278 /nfs/dbraw/zinc/55/22/78/591552278.db2.gz QHYVLUZNUSRIOF-CABCVRRESA-N 2 0 340.537 1.597 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000896747656 591601447 /nfs/dbraw/zinc/60/14/47/591601447.db2.gz FQAZLCXZDHXSEX-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000896747739 591601735 /nfs/dbraw/zinc/60/17/35/591601735.db2.gz HMPKDOGJHINRJX-BRWVUGGUSA-N 2 0 336.480 1.118 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)CCN2CCOCC2)cc1 ZINC000728552832 591777440 /nfs/dbraw/zinc/77/74/40/591777440.db2.gz LEXMIOKSFNZDDZ-UHFFFAOYSA-N 2 0 349.475 1.356 20 0 EDADRP C[C@@H]1CN(Cc2cccc(S(N)(=O)=O)c2)CCN1c1cc[nH+]cc1 ZINC000895558724 591801001 /nfs/dbraw/zinc/80/10/01/591801001.db2.gz VYKVENREXIKUIW-CQSZACIVSA-N 2 0 346.456 1.440 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961403 591840157 /nfs/dbraw/zinc/84/01/57/591840157.db2.gz OSLAAXXVGWOTSP-MAUKXSAKSA-N 2 0 335.448 1.380 20 0 EDADRP COc1cccc(CN2CCN(CN3CC[C@@H](C[NH+](C)C)C3)C2=O)c1 ZINC000902145573 591927873 /nfs/dbraw/zinc/92/78/73/591927873.db2.gz FSPGJQYDUFWWCW-KRWDZBQOSA-N 2 0 346.475 1.774 20 0 EDADRP C[C@H](C(=O)NCC[N@H+](C)CCO)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000899733877 591929508 /nfs/dbraw/zinc/92/95/08/591929508.db2.gz LTIOJIJXCRCQNH-QGZVFWFLSA-N 2 0 347.503 1.370 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900210164 591943969 /nfs/dbraw/zinc/94/39/69/591943969.db2.gz XTNSZXVEMKRLGX-AOCRQIFASA-N 2 0 337.508 1.726 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000900277798 591968477 /nfs/dbraw/zinc/96/84/77/591968477.db2.gz GBPNTQKUAXNQRY-UHFFFAOYSA-N 2 0 335.492 1.432 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]2CCCC[C@@H]2O)CC[NH2+]CC1 ZINC000902432524 591994536 /nfs/dbraw/zinc/99/45/36/591994536.db2.gz IGLLNQWDCJXYRW-PMPSAXMXSA-N 2 0 326.481 1.839 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)C2C[NH+](C3CCOCC3)C2)c1 ZINC000900456742 592022650 /nfs/dbraw/zinc/02/26/50/592022650.db2.gz ONQMUJZSPBITEL-UHFFFAOYSA-N 2 0 347.459 1.676 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000900537146 592050715 /nfs/dbraw/zinc/05/07/15/592050715.db2.gz DXYHNTUDKPTEGB-IEBWSBKVSA-N 2 0 337.508 1.556 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000900563580 592053315 /nfs/dbraw/zinc/05/33/15/592053315.db2.gz YJZONEQDHIDQEV-SCTDSRPQSA-N 2 0 337.508 1.556 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)CC1 ZINC000900646190 592087398 /nfs/dbraw/zinc/08/73/98/592087398.db2.gz XOYRENULWSILPX-RBUKOAKNSA-N 2 0 348.535 1.489 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)CC1 ZINC000900646189 592087702 /nfs/dbraw/zinc/08/77/02/592087702.db2.gz XOYRENULWSILPX-OALUTQOASA-N 2 0 348.535 1.489 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC(F)(F)C(F)F)C2)CC1 ZINC000900675045 592090827 /nfs/dbraw/zinc/09/08/27/592090827.db2.gz OTJVRTSDTOLRFA-JTQLQIEISA-N 2 0 325.350 1.562 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900682777 592093112 /nfs/dbraw/zinc/09/31/12/592093112.db2.gz HUCPHQODPPHBCT-ROUUACIJSA-N 3 0 338.540 1.735 20 0 EDADRP Cn1nccc1[C@@H]1[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)CCC(=O)N1C ZINC000903129548 592125247 /nfs/dbraw/zinc/12/52/47/592125247.db2.gz BZPITWSDSKMOPJ-LPHOPBHVSA-N 2 0 345.491 1.546 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000903188577 592135498 /nfs/dbraw/zinc/13/54/98/592135498.db2.gz GOJXXRAGQTVQLS-LSDHHAIUSA-N 2 0 343.537 1.843 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000900825752 592138841 /nfs/dbraw/zinc/13/88/41/592138841.db2.gz BRVWNOLLNTZGPT-KRWDZBQOSA-N 2 0 340.556 1.885 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000900898895 592164593 /nfs/dbraw/zinc/16/45/93/592164593.db2.gz NBSGVLJMESHXQE-YLJYHZDGSA-N 2 0 345.487 1.612 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900925580 592175543 /nfs/dbraw/zinc/17/55/43/592175543.db2.gz MWJHOLPKEIIMKV-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(c3ccccc3)C1=O)C2 ZINC000903493099 592185581 /nfs/dbraw/zinc/18/55/81/592185581.db2.gz UHCXHPATVAGXFE-MVWRLGRASA-N 2 0 343.427 1.004 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903494723 592186770 /nfs/dbraw/zinc/18/67/70/592186770.db2.gz LYXFZJQKDXFEAD-HZSPNIEDSA-N 2 0 333.432 1.702 20 0 EDADRP COc1ccc(NC(=O)NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496564 592187882 /nfs/dbraw/zinc/18/78/82/592187882.db2.gz SLEHBLNQRFOGST-CHWSQXEVSA-N 2 0 334.420 1.260 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)Nc1ccc(O)cc1 ZINC000903510452 592190865 /nfs/dbraw/zinc/19/08/65/592190865.db2.gz QBOPQVNUOBJGSS-CALCHBBNSA-N 2 0 344.459 1.231 20 0 EDADRP Cc1ccc(OCC[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000903521802 592196711 /nfs/dbraw/zinc/19/67/11/592196711.db2.gz HZJUICCFJVMXAD-MJGOQNOKSA-N 2 0 331.460 1.610 20 0 EDADRP c1cc2c(cc1CN1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC[NH2+]CC1)C[NH2+]CC2 ZINC000903506984 592198884 /nfs/dbraw/zinc/19/88/84/592198884.db2.gz HWAQMSMMARKGOT-OYRHEFFESA-N 3 0 340.515 1.733 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@]32C[NH3+])cc1 ZINC000903536593 592199268 /nfs/dbraw/zinc/19/92/68/592199268.db2.gz GBGMURJHUVCTOQ-WBVHZDCISA-N 2 0 337.489 1.640 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000903541119 592202040 /nfs/dbraw/zinc/20/20/40/592202040.db2.gz SGAHSQRYRXDQBW-BARDWOONSA-N 2 0 331.382 1.129 20 0 EDADRP CN(C(=O)[C@]1(C)C[C@H](O)C[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901074593 592224135 /nfs/dbraw/zinc/22/41/35/592224135.db2.gz GROZKYTXBFUWMF-AOIWGVFYSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906658121 592240151 /nfs/dbraw/zinc/24/01/51/592240151.db2.gz VTEOIRLSINTRIL-BLLLJJGKSA-N 2 0 344.459 1.418 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1 ZINC000904392706 592242917 /nfs/dbraw/zinc/24/29/17/592242917.db2.gz XULSGQBCWIFSRJ-IBGZPJMESA-N 3 0 347.503 1.957 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC000904392685 592243241 /nfs/dbraw/zinc/24/32/41/592243241.db2.gz XKKWPNGQMJTWKX-KRWDZBQOSA-N 2 0 327.432 1.597 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnn(C2CC2)c1N ZINC000906671161 592252752 /nfs/dbraw/zinc/25/27/52/592252752.db2.gz NYXHSDVNJUACPW-UHFFFAOYSA-N 2 0 336.484 1.146 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc4c(c3F)CC[NH2+]C4)C[C@]2(C)C1 ZINC000904513740 592275650 /nfs/dbraw/zinc/27/56/50/592275650.db2.gz IGRBWYGYFFCHHA-ACJLOTCBSA-N 2 0 332.423 1.887 20 0 EDADRP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903726052 592285221 /nfs/dbraw/zinc/28/52/21/592285221.db2.gz JWHSXBKCIMXHKR-ZMMAXQRCSA-N 2 0 337.508 1.772 20 0 EDADRP Clc1ccc(N2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903731959 592288395 /nfs/dbraw/zinc/28/83/95/592288395.db2.gz BIXAJGZOEIATCW-RDJZCZTQSA-N 2 0 336.867 1.626 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903752933 592296412 /nfs/dbraw/zinc/29/64/12/592296412.db2.gz QHSGBWBPBZVLAZ-YVSFHVDLSA-N 2 0 336.476 1.951 20 0 EDADRP CCN(CC)C(=O)C1([NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903733515 592296698 /nfs/dbraw/zinc/29/66/98/592296698.db2.gz MXUVVKCAGMERGM-WMZOPIPTSA-N 2 0 337.508 1.916 20 0 EDADRP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903734453 592297954 /nfs/dbraw/zinc/29/79/54/592297954.db2.gz QXLJZWKFCAZLMU-YESZJQIVSA-N 2 0 338.492 1.397 20 0 EDADRP c1csc(CC[NH+]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903736472 592299040 /nfs/dbraw/zinc/29/90/40/592299040.db2.gz JOGXIHDLNYTJFD-WMZOPIPTSA-N 2 0 335.517 1.677 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000904636430 592299225 /nfs/dbraw/zinc/29/92/25/592299225.db2.gz LKPWRAUHLVNPSB-HNNXBMFYSA-N 2 0 332.448 1.721 20 0 EDADRP C([C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[NH+]1CCC(c2nnc3n2CCC3)CC1 ZINC000903737318 592300475 /nfs/dbraw/zinc/30/04/75/592300475.db2.gz RAXNXMMEAWWHQE-MAUKXSAKSA-N 2 0 331.464 1.172 20 0 EDADRP C[C@@H]1[NH2+]CCn2c(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)ccc21 ZINC000904638231 592300972 /nfs/dbraw/zinc/30/09/72/592300972.db2.gz NVYXVNCBQUJWAD-ZOWXZIJZSA-N 2 0 329.404 1.738 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742681 592303887 /nfs/dbraw/zinc/30/38/87/592303887.db2.gz ZIRUANCJNITMPO-HRCADAONSA-N 2 0 349.441 1.961 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903742568 592303986 /nfs/dbraw/zinc/30/39/86/592303986.db2.gz XKUQDACPBHXHIJ-VAMGGRTRSA-N 2 0 329.488 1.961 20 0 EDADRP C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)OC1CCSCC1 ZINC000903761410 592307971 /nfs/dbraw/zinc/30/79/71/592307971.db2.gz RTACZSYDICBMPI-CVEARBPZSA-N 2 0 326.506 1.599 20 0 EDADRP O=C1NCCN1CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903825361 592334238 /nfs/dbraw/zinc/33/42/38/592334238.db2.gz ZNVNGKFBLADHFM-UHFFFAOYSA-N 2 0 328.460 1.570 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCCO)Cc2ccccc2)cnn1C ZINC000903890734 592352230 /nfs/dbraw/zinc/35/22/30/592352230.db2.gz GPOLFADEZTXQAB-SFHVURJKSA-N 2 0 330.476 1.731 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(Nc3cccnn3)CC2)cnn1C ZINC000903890865 592352373 /nfs/dbraw/zinc/35/23/73/592352373.db2.gz GZTYUKMZIWVDHC-HNNXBMFYSA-N 2 0 343.479 1.212 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000908156535 592352414 /nfs/dbraw/zinc/35/24/14/592352414.db2.gz QKWNGLVLCZKWRY-SFHVURJKSA-N 2 0 325.497 1.558 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000904966234 592361685 /nfs/dbraw/zinc/36/16/85/592361685.db2.gz WVRPBWHXNAQWST-UHFFFAOYSA-N 2 0 348.491 1.020 20 0 EDADRP CS(=O)(=O)N1CC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)Cc2ccccc21 ZINC000903914505 592364334 /nfs/dbraw/zinc/36/43/34/592364334.db2.gz IHVPZRXKBACQTH-ZXFUBFMLSA-N 2 0 349.500 1.799 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903897306 592368027 /nfs/dbraw/zinc/36/80/27/592368027.db2.gz GYDPQODTTATOFO-KRWDZBQOSA-N 3 0 334.512 1.756 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cnn1C ZINC000903898376 592369795 /nfs/dbraw/zinc/36/97/95/592369795.db2.gz KKGRHMDMZDOHDY-MBOZVWFJSA-N 2 0 345.535 1.795 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CNC[C@H]2[NH2+]CCc3ccccc32)cnn1C ZINC000903920740 592377051 /nfs/dbraw/zinc/37/70/51/592377051.db2.gz WXFXPSASHSNEOY-DNVCBOLYSA-N 2 0 327.476 1.323 20 0 EDADRP O=C1C[C@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1CCOc1ccccc1 ZINC000903924518 592379299 /nfs/dbraw/zinc/37/92/99/592379299.db2.gz FLNLYGJVGAZEQE-FBVQUNGASA-N 2 0 343.471 1.787 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903923591 592379316 /nfs/dbraw/zinc/37/93/16/592379316.db2.gz YBGPRHNVAMOFDV-FUHWJXTLSA-N 2 0 327.476 1.714 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1(O)CCOCC1 ZINC000905022613 592382374 /nfs/dbraw/zinc/38/23/74/592382374.db2.gz AXKZRYZXALIQAK-IBGZPJMESA-N 2 0 348.487 1.665 20 0 EDADRP Brc1cnn2c1C[N@H+](CC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000903933443 592384664 /nfs/dbraw/zinc/38/46/64/592384664.db2.gz ROJIUYXEIRHIMX-YOGCLGLASA-N 2 0 325.254 1.992 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cnn1C ZINC000903937417 592387682 /nfs/dbraw/zinc/38/76/82/592387682.db2.gz KNVUJQYNNYGTFZ-SJLPKXTDSA-N 3 0 333.524 1.748 20 0 EDADRP COc1cccc2c1OC[C@@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903938117 592388485 /nfs/dbraw/zinc/38/84/85/592388485.db2.gz ZZAFQMSEXKKNPL-PBHICJAKSA-N 2 0 344.459 1.448 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c[nH]nc1-c1ccc(C)o1)C2 ZINC000903977102 592399700 /nfs/dbraw/zinc/39/97/00/592399700.db2.gz IYGZQIYMYAWGDC-IYOUNJFTSA-N 2 0 344.415 1.690 20 0 EDADRP c1cc2c(c(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)c1)OCO2 ZINC000903980280 592400844 /nfs/dbraw/zinc/40/08/44/592400844.db2.gz NATYFKHALWANQV-CALCHBBNSA-N 2 0 329.444 1.816 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1OC ZINC000903966740 592402562 /nfs/dbraw/zinc/40/25/62/592402562.db2.gz AQFAPWNECMXFQD-HIFRSBDPSA-N 2 0 335.448 1.155 20 0 EDADRP C[C@H](C[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000905109386 592410113 /nfs/dbraw/zinc/41/01/13/592410113.db2.gz CAWGBZRAOFKRCW-NEPJUHHUSA-N 2 0 347.372 1.408 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1(O)CCC1 ZINC000905113065 592412845 /nfs/dbraw/zinc/41/28/45/592412845.db2.gz CUUPALQSJHHHMI-GOSISDBHSA-N 2 0 334.460 1.009 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)CC[C@H](O)c1ccccc1 ZINC000905097101 592422092 /nfs/dbraw/zinc/42/20/92/592422092.db2.gz OPFYHGVULQDZOR-QRQLOZEOSA-N 2 0 335.492 1.087 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1(O)CCCC1 ZINC000905204606 592464484 /nfs/dbraw/zinc/46/44/84/592464484.db2.gz QHHADTVZCABJKV-ZWKOTPCHSA-N 2 0 334.460 1.009 20 0 EDADRP Cc1nc(NC(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)oc1C ZINC000905294962 592487371 /nfs/dbraw/zinc/48/73/71/592487371.db2.gz MRBPXDVIBCOAPY-GASCZTMLSA-N 2 0 333.436 1.724 20 0 EDADRP CCN([C@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000905349822 592502523 /nfs/dbraw/zinc/50/25/23/592502523.db2.gz PURQXVFAKCOYPI-INIZCTEOSA-N 2 0 339.505 1.901 20 0 EDADRP [NH3+]C[C@H]1Cc2cc(F)ccc2N(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905361994 592508837 /nfs/dbraw/zinc/50/88/37/592508837.db2.gz KTTYSCIYFVZHMH-CYBMUJFWSA-N 2 0 341.452 1.093 20 0 EDADRP O[C@@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)C1(O)CCC1 ZINC000905437798 592534497 /nfs/dbraw/zinc/53/44/97/592534497.db2.gz IFEFFKYXKGLGSP-SFHVURJKSA-N 2 0 348.487 1.269 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)C2)[C@@H]1C(C)C ZINC000905503736 592546945 /nfs/dbraw/zinc/54/69/45/592546945.db2.gz UEJWLPJMRAJHEJ-QMIVOQANSA-N 2 0 338.414 1.759 20 0 EDADRP CN(C)c1cc[nH+]c(CNC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000905526173 592561305 /nfs/dbraw/zinc/56/13/05/592561305.db2.gz TXBLHPLJYJVWJA-IBGZPJMESA-N 2 0 328.460 1.730 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000905601110 592574827 /nfs/dbraw/zinc/57/48/27/592574827.db2.gz CYFVAJAOWSVFQK-DOTOQJQBSA-N 2 0 347.532 1.951 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@]1(O)CCOC1 ZINC000905890526 592669487 /nfs/dbraw/zinc/66/94/87/592669487.db2.gz SUPUDASNOGRBGY-VQTJNVASSA-N 2 0 348.487 1.665 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCOC2(CCCC2)C1 ZINC000906580355 592857381 /nfs/dbraw/zinc/85/73/81/592857381.db2.gz MSQAEGWVECTNCJ-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C)C(C)C ZINC000910945720 592905423 /nfs/dbraw/zinc/90/54/23/592905423.db2.gz DXYXFEIMLLTGMW-QGZVFWFLSA-N 2 0 348.491 1.170 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911736279 592992794 /nfs/dbraw/zinc/99/27/94/592992794.db2.gz KGGUZVZICYUYIF-NLZINVLXSA-N 2 0 331.460 1.851 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911743957 592995051 /nfs/dbraw/zinc/99/50/51/592995051.db2.gz FFGZZAYTEHQZTI-MWDXBVQZSA-N 2 0 343.427 1.674 20 0 EDADRP CC(C)(C[NH3+])CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911751824 592997387 /nfs/dbraw/zinc/99/73/87/592997387.db2.gz PLAQCQYJPSLWAG-CYBMUJFWSA-N 2 0 333.432 1.909 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911775040 593002375 /nfs/dbraw/zinc/00/23/75/593002375.db2.gz PCQXOTVUDWXZRS-UXHZXRBQSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCc2n[nH]cc2[C@@H]1C ZINC000912303556 593085022 /nfs/dbraw/zinc/08/50/22/593085022.db2.gz KMLBZRZCRGSDOT-RRFJBIMHSA-N 2 0 335.496 1.464 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000809756545 593357921 /nfs/dbraw/zinc/35/79/21/593357921.db2.gz SGEOJHVETVYPSM-QGZVFWFLSA-N 2 0 331.460 1.714 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839689800 593363918 /nfs/dbraw/zinc/36/39/18/593363918.db2.gz TZCSWQDJYZXALC-CVEARBPZSA-N 2 0 327.538 1.906 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000817300871 593590767 /nfs/dbraw/zinc/59/07/67/593590767.db2.gz FCRYRZWBCJZVTN-MRXNPFEDSA-N 2 0 345.491 1.996 20 0 EDADRP Cn1cc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(Cl)n1 ZINC000815590961 593643308 /nfs/dbraw/zinc/64/33/08/593643308.db2.gz QPGOVHFMUUOOKI-UHFFFAOYSA-N 2 0 343.903 1.348 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)CC[NH2+]CC1 ZINC000817918849 593648518 /nfs/dbraw/zinc/64/85/18/593648518.db2.gz NVHNHMVGYKMICP-HUUCEWRRSA-N 2 0 340.464 1.583 20 0 EDADRP CCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)COC1 ZINC000818014457 593657521 /nfs/dbraw/zinc/65/75/21/593657521.db2.gz VSZBMWAYVHUBJX-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000818539613 593704086 /nfs/dbraw/zinc/70/40/86/593704086.db2.gz PUANHIKBUOIMBS-HUUCEWRRSA-N 2 0 331.416 1.532 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3ccc(F)cn3)ccn2)CC1 ZINC000818962343 593730607 /nfs/dbraw/zinc/73/06/07/593730607.db2.gz PBAQQZRFHMXNRC-KRWDZBQOSA-N 2 0 345.422 1.191 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2ccccc2F)ccn1 ZINC000819195358 593743863 /nfs/dbraw/zinc/74/38/63/593743863.db2.gz AZIXWKMIYUFZQI-QGZVFWFLSA-N 2 0 333.407 1.984 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@@H]21 ZINC000821625155 593885443 /nfs/dbraw/zinc/88/54/43/593885443.db2.gz GQSHAIHMWCWWQG-RDJZCZTQSA-N 2 0 342.447 1.662 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820812063 593895686 /nfs/dbraw/zinc/89/56/86/593895686.db2.gz BDGZDDGQGYCCHX-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21 ZINC000824200062 593954370 /nfs/dbraw/zinc/95/43/70/593954370.db2.gz AUAHTQGJYCECOD-MOPGFXCFSA-N 2 0 343.471 1.584 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2C[C@@H](C)[C@H](N3CCOCC3)C2)n1 ZINC000822191078 594006275 /nfs/dbraw/zinc/00/62/75/594006275.db2.gz FPNQBOCSTTVMDQ-TZMCWYRMSA-N 2 0 343.435 1.035 20 0 EDADRP CC(C)OC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000825140308 594135276 /nfs/dbraw/zinc/13/52/76/594135276.db2.gz BIGRXAQMMKSUFG-HZPDHXFCSA-N 2 0 325.497 1.532 20 0 EDADRP C[NH+](C)CC1(C(=O)NC2CCN(CC(=O)OC(C)(C)C)CC2)CC1 ZINC000825391855 594177673 /nfs/dbraw/zinc/17/76/73/594177673.db2.gz HIRPXAYOOUQVMK-UHFFFAOYSA-N 2 0 339.480 1.251 20 0 EDADRP C[NH+](C)CC1CC[NH+](Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000825860799 594264470 /nfs/dbraw/zinc/26/44/70/594264470.db2.gz XDWIENNRTSMKQE-UHFFFAOYSA-N 2 0 340.435 1.288 20 0 EDADRP O=CN1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000827877590 594295335 /nfs/dbraw/zinc/29/53/35/594295335.db2.gz QFZRDPTZLGPYRK-UHFFFAOYSA-N 2 0 331.460 1.825 20 0 EDADRP CC(C)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)[nH]1 ZINC000827892003 594298743 /nfs/dbraw/zinc/29/87/43/594298743.db2.gz FVVJAQASKHQORN-HUUCEWRRSA-N 2 0 348.491 1.722 20 0 EDADRP C[C@@H](NC(=O)C[C@H]([NH3+])C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000828094504 594339884 /nfs/dbraw/zinc/33/98/84/594339884.db2.gz TVENWFLZBQTLNA-DYVFJYSZSA-N 2 0 348.466 1.882 20 0 EDADRP COc1ccc(C[NH+]2CCC(C[NH+](C)C)CC2)cc1-c1nn[nH]n1 ZINC000826194494 594372478 /nfs/dbraw/zinc/37/24/78/594372478.db2.gz NCANSUNUGCOQIM-UHFFFAOYSA-N 2 0 330.436 1.649 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)CC1 ZINC000827248736 594656231 /nfs/dbraw/zinc/65/62/31/594656231.db2.gz CJHLYJRXVBRPPE-UHFFFAOYSA-N 2 0 339.443 1.935 20 0 EDADRP CCO[C@H](CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831718684 594695831 /nfs/dbraw/zinc/69/58/31/594695831.db2.gz NIKHINGFGRPPSK-ZWKOTPCHSA-N 2 0 333.476 1.591 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2cccc(C[NH3+])c2)CC1 ZINC000831880397 594709035 /nfs/dbraw/zinc/70/90/35/594709035.db2.gz DFMBDRDRLCTXCN-CALCHBBNSA-N 2 0 344.503 1.776 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841285119 594881290 /nfs/dbraw/zinc/88/12/90/594881290.db2.gz RYEGXNBTMFLXNN-BBRMVZONSA-N 2 0 348.447 1.667 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3ccnc3)C[C@@H]21 ZINC000836213499 594939270 /nfs/dbraw/zinc/93/92/70/594939270.db2.gz GVCXBILICIFRLB-CABCVRRESA-N 2 0 326.404 1.113 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCn2ccnc21)[NH+]1CCOCC1 ZINC000836211861 594939339 /nfs/dbraw/zinc/93/93/39/594939339.db2.gz MOJXPFYTVVXIRO-CVEARBPZSA-N 2 0 349.479 1.764 20 0 EDADRP CCN1CCc2nc3ccccc3c(C(=O)NOCC[NH+](C)C)c2C1 ZINC000833859133 594950844 /nfs/dbraw/zinc/95/08/44/594950844.db2.gz AONFRFVBYCZMCG-UHFFFAOYSA-N 2 0 342.443 1.836 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000841833190 594959658 /nfs/dbraw/zinc/95/96/58/594959658.db2.gz SYBJDIHPSVKUAZ-SJLPKXTDSA-N 2 0 328.460 1.657 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928648 594983414 /nfs/dbraw/zinc/98/34/14/594983414.db2.gz QPTOULFSIURDKF-MRXNPFEDSA-N 2 0 347.507 1.013 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000842012301 595002442 /nfs/dbraw/zinc/00/24/42/595002442.db2.gz ZWJZZAULAHWSDF-ROUUACIJSA-N 2 0 332.492 1.930 20 0 EDADRP CC(C)[NH2+]CCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000843205485 595033594 /nfs/dbraw/zinc/03/35/94/595033594.db2.gz PBBHKEBAWZYVTB-UHFFFAOYSA-N 2 0 344.463 1.814 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000837133878 595040585 /nfs/dbraw/zinc/04/05/85/595040585.db2.gz BRRPVUJWGQJNAG-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000842229917 595045933 /nfs/dbraw/zinc/04/59/33/595045933.db2.gz UGNNLXRVUQSGBX-IRXDYDNUSA-N 2 0 346.475 1.093 20 0 EDADRP C[N@H+](CC(=O)N(CCC(N)=O)Cc1ccccc1)C1CCC([NH3+])CC1 ZINC000843353815 595084089 /nfs/dbraw/zinc/08/40/89/595084089.db2.gz LLPGRNCSPMDFPQ-UHFFFAOYSA-N 2 0 346.475 1.092 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2CCCO[C@@H](C[NH3+])C2)cc(Cl)n1 ZINC000842509760 595123072 /nfs/dbraw/zinc/12/30/72/595123072.db2.gz LVLJSEVTNGRPAU-QWHCGFSZSA-N 2 0 326.828 1.010 20 0 EDADRP [NH3+][C@H](CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000842511847 595123992 /nfs/dbraw/zinc/12/39/92/595123992.db2.gz FWYVFHLHNMGBBS-QGZVFWFLSA-N 3 0 330.476 1.224 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491013 595128731 /nfs/dbraw/zinc/12/87/31/595128731.db2.gz YLTQYZMNEMDOLU-HKUYNNGSSA-N 2 0 345.487 1.878 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)N(CC)OC)CC1 ZINC000842769444 595193718 /nfs/dbraw/zinc/19/37/18/595193718.db2.gz ORZKFKSAURIKJD-UHFFFAOYSA-N 2 0 348.491 1.718 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170020 595290398 /nfs/dbraw/zinc/29/03/98/595290398.db2.gz FLQOKJSDPUTSHO-HZPDHXFCSA-N 2 0 325.497 1.770 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000844170032 595290440 /nfs/dbraw/zinc/29/04/40/595290440.db2.gz FPVWQDBVFHQBOT-MJGOQNOKSA-N 2 0 343.471 1.633 20 0 EDADRP CN1c2ccc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc2CCC1=O ZINC000843125327 595293020 /nfs/dbraw/zinc/29/30/20/595293020.db2.gz SMTPIRHNWPRGJL-XLIONFOSSA-N 2 0 343.471 1.924 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844186058 595296083 /nfs/dbraw/zinc/29/60/83/595296083.db2.gz FGEPNDTZKQYXGR-QRQLOZEOSA-N 2 0 345.487 1.782 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000844187668 595296946 /nfs/dbraw/zinc/29/69/46/595296946.db2.gz MUSSALSBTHRIBE-IKGGRYGDSA-N 2 0 341.496 1.008 20 0 EDADRP C[C@H](CCNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000844189442 595297532 /nfs/dbraw/zinc/29/75/32/595297532.db2.gz MILJLQIZNJXJGC-SJLPKXTDSA-N 2 0 333.476 1.782 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674123 595298725 /nfs/dbraw/zinc/29/87/25/595298725.db2.gz HTHYQKMSQWLYIQ-MSOLQXFVSA-N 2 0 328.460 1.908 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)o1 ZINC000848893362 595464443 /nfs/dbraw/zinc/46/44/43/595464443.db2.gz VCRVWYOFLWIRSX-FPLPWBNLSA-N 2 0 335.448 1.583 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000849117868 595484735 /nfs/dbraw/zinc/48/47/35/595484735.db2.gz YVUCOGYHAFIWMT-KBAYOESNSA-N 2 0 348.491 1.672 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000852794527 595546525 /nfs/dbraw/zinc/54/65/25/595546525.db2.gz APQXSXHUVKKGKT-CVEARBPZSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497493 595551637 /nfs/dbraw/zinc/55/16/37/595551637.db2.gz GBVAVQVALPXLDG-KBAYOESNSA-N 2 0 347.507 1.446 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849523872 595556742 /nfs/dbraw/zinc/55/67/42/595556742.db2.gz XSQZKGKGPZGSED-SJORKVTESA-N 2 0 335.496 1.256 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849541159 595561281 /nfs/dbraw/zinc/56/12/81/595561281.db2.gz LGWGVQRURRQOHI-ROUUACIJSA-N 2 0 349.523 1.690 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849571767 595574739 /nfs/dbraw/zinc/57/47/39/595574739.db2.gz IHWNWVJTQYLIJU-HOTGVXAUSA-N 2 0 342.447 1.555 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000849571405 595575461 /nfs/dbraw/zinc/57/54/61/595575461.db2.gz IMUGVZKWIGQBSW-YQFWSFKMSA-N 2 0 333.480 1.006 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C[N@@H+]1C ZINC000849572005 595575540 /nfs/dbraw/zinc/57/55/40/595575540.db2.gz MQLDIJRPHXWPGY-YALNPMBYSA-N 2 0 333.480 1.006 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852858224 595579680 /nfs/dbraw/zinc/57/96/80/595579680.db2.gz VIKOXXIVMALZPB-IEBWSBKVSA-N 2 0 343.471 1.981 20 0 EDADRP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000852861332 595582072 /nfs/dbraw/zinc/58/20/72/595582072.db2.gz BULBSUHGZAKZHE-PVAVHDDUSA-N 2 0 344.459 1.774 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849608268 595594222 /nfs/dbraw/zinc/59/42/22/595594222.db2.gz NRPOWYPQNWQLKO-QZTJIDSGSA-N 2 0 349.523 1.550 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852895104 595602555 /nfs/dbraw/zinc/60/25/55/595602555.db2.gz XEKFFBJEBVKDMZ-GOEBONIOSA-N 2 0 336.480 1.593 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000852905131 595608528 /nfs/dbraw/zinc/60/85/28/595608528.db2.gz YAGNLJZTFVHANU-SFHVURJKSA-N 2 0 346.475 1.178 20 0 EDADRP C[NH+]1CCC(NC(=S)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000853049524 595649413 /nfs/dbraw/zinc/64/94/13/595649413.db2.gz YZQOZATXBJWPLH-QGZVFWFLSA-N 2 0 332.517 1.819 20 0 EDADRP CC[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000853248531 595719289 /nfs/dbraw/zinc/71/92/89/595719289.db2.gz VGTOFRQAHUSVSW-RDJZCZTQSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000851670686 595878654 /nfs/dbraw/zinc/87/86/54/595878654.db2.gz XETRBLFNLBSUMV-SFHVURJKSA-N 2 0 345.491 1.674 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CCO1 ZINC000853823313 595892706 /nfs/dbraw/zinc/89/27/06/595892706.db2.gz UYCPYRVYISQWSE-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)CCCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000859214847 596006387 /nfs/dbraw/zinc/00/63/87/596006387.db2.gz UOMHMBUXACIRSX-UHFFFAOYSA-N 2 0 346.475 1.901 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585131 596023787 /nfs/dbraw/zinc/02/37/87/596023787.db2.gz ZPZWTAWTTVUSOP-ZWKOTPCHSA-N 2 0 335.448 1.402 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)C[C@@H]1C ZINC000854313335 596032480 /nfs/dbraw/zinc/03/24/80/596032480.db2.gz ROSJIOPPWNJTRU-XHSDSOJGSA-N 2 0 340.512 1.610 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NOC2CC[NH+](C)CC2)cc1 ZINC000854358395 596051883 /nfs/dbraw/zinc/05/18/83/596051883.db2.gz WSSFENQUGYVDMX-TWGQIWQCSA-N 2 0 347.459 1.782 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000854641916 596146053 /nfs/dbraw/zinc/14/60/53/596146053.db2.gz HLTFSSAQBIXAJX-VKJFTORMSA-N 2 0 341.471 1.521 20 0 EDADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)OC1 ZINC000866660409 596283547 /nfs/dbraw/zinc/28/35/47/596283547.db2.gz HRXOSKVRAZSGHD-ZACQAIPSSA-N 2 0 337.508 1.772 20 0 EDADRP C[N@H+](CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870874160 596385516 /nfs/dbraw/zinc/38/55/16/596385516.db2.gz WNJBWPVYXVNWJA-CYBMUJFWSA-N 2 0 326.238 1.659 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)c1 ZINC000870879583 596387604 /nfs/dbraw/zinc/38/76/04/596387604.db2.gz DMUUTCLSUMUAAU-JCNLHEQBSA-N 2 0 346.475 1.112 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000870882159 596388456 /nfs/dbraw/zinc/38/84/56/596388456.db2.gz KCJXGZDLIIKKQF-HDICACEKSA-N 2 0 345.487 1.777 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)c1cccc(Br)c1 ZINC000870913883 596401337 /nfs/dbraw/zinc/40/13/37/596401337.db2.gz HDWLZMVXOPZTLY-UBHSHLNASA-N 2 0 338.249 1.659 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC000870939556 596412882 /nfs/dbraw/zinc/41/28/82/596412882.db2.gz XTNHZTPEEWOFPH-BFHYXJOUSA-N 2 0 334.489 1.810 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000870946541 596415446 /nfs/dbraw/zinc/41/54/46/596415446.db2.gz RQVAMTCWLJDYJJ-UHFFFAOYSA-N 2 0 346.475 1.299 20 0 EDADRP C[C@H](C[NH2+]Cc1cccnc1Br)CN1CC[NH+](C)CC1 ZINC000865449131 596578301 /nfs/dbraw/zinc/57/83/01/596578301.db2.gz QKKOPPSLUYZAQB-CYBMUJFWSA-N 2 0 341.297 1.817 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3n2CCCCC3)C[C@H]1C[NH+](C)C ZINC000870016340 596708710 /nfs/dbraw/zinc/70/87/10/596708710.db2.gz KIFHAPMEXNQVFK-HZPDHXFCSA-N 2 0 347.507 1.421 20 0 EDADRP Cc1ccn2cnc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c2c1 ZINC000870017650 596709467 /nfs/dbraw/zinc/70/94/67/596709467.db2.gz PQRLXRNXTQOHFF-HZPDHXFCSA-N 2 0 343.475 1.454 20 0 EDADRP Cc1cccc2c1O[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C2 ZINC000870017081 596709500 /nfs/dbraw/zinc/70/95/00/596709500.db2.gz HZPFHLOWAQZFQH-KURKYZTESA-N 2 0 345.487 1.496 20 0 EDADRP Cc1cnc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccn12 ZINC000870017114 596709612 /nfs/dbraw/zinc/70/96/12/596709612.db2.gz FYMWJOKKVNOEDR-IAGOWNOFSA-N 2 0 343.475 1.454 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nccc3[nH]ccc32)C[C@H]1C[NH+](C)C ZINC000870017443 596709629 /nfs/dbraw/zinc/70/96/29/596709629.db2.gz NZGROZJURKDUOG-ZIAGYGMSSA-N 2 0 329.448 1.374 20 0 EDADRP CCn1ncc(Cl)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018249 596710384 /nfs/dbraw/zinc/71/03/84/596710384.db2.gz YIZBCEVKJUWJPI-CHWSQXEVSA-N 2 0 341.887 1.368 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn3c(n2)CCCC3)C[C@H]1C[NH+](C)C ZINC000870018596 596710762 /nfs/dbraw/zinc/71/07/62/596710762.db2.gz DQZIGIURKFWCND-HUUCEWRRSA-N 2 0 333.480 1.031 20 0 EDADRP Cn1cnc2cccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)c21 ZINC000870019479 596710845 /nfs/dbraw/zinc/71/08/45/596710845.db2.gz YZVJVDQHFJSLSN-HUUCEWRRSA-N 2 0 343.475 1.385 20 0 EDADRP COc1ccccc1NCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021220 596712153 /nfs/dbraw/zinc/71/21/53/596712153.db2.gz CKEMPGFKBMPVCQ-HZPDHXFCSA-N 2 0 348.491 1.305 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3c2CCC3)C[C@H]1C[NH+](C)C ZINC000870023233 596713088 /nfs/dbraw/zinc/71/30/88/596713088.db2.gz PBRWHXHWBVBKCF-IAGOWNOFSA-N 2 0 329.488 1.987 20 0 EDADRP CC(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024126 596713885 /nfs/dbraw/zinc/71/38/85/596713885.db2.gz UKIWJYBZGUBCSQ-QZTJIDSGSA-N 2 0 331.460 1.701 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cc3n(n2)CCN(C)C3)cc1 ZINC000868203810 596722197 /nfs/dbraw/zinc/72/21/97/596722197.db2.gz IFVIQHBQILPOFP-GFCCVEGCSA-N 2 0 328.420 1.670 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868231742 596737470 /nfs/dbraw/zinc/73/74/70/596737470.db2.gz IKHMPUQYSHWITL-RRQGHBQHSA-N 2 0 344.459 1.240 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236655 596740102 /nfs/dbraw/zinc/74/01/02/596740102.db2.gz MQSVGWUTYPLMCW-KKBVYLPWSA-N 2 0 344.459 1.238 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CCC(C)([NH+](C)C)CC2)C1 ZINC000868287126 596766781 /nfs/dbraw/zinc/76/67/81/596766781.db2.gz YHBHFPVOLKIBFN-CKDBGZEDSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(C(F)(F)F)nc1 ZINC000872155021 596816220 /nfs/dbraw/zinc/81/62/20/596816220.db2.gz JVJAZRBWLYGPLR-NSHDSACASA-N 2 0 330.354 1.573 20 0 EDADRP CC(C)c1ncc(CN2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)s1 ZINC000872254956 596855326 /nfs/dbraw/zinc/85/53/26/596855326.db2.gz GZRMSWUZNUDBIG-YUTCNCBUSA-N 2 0 336.461 1.633 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000872257097 596857555 /nfs/dbraw/zinc/85/75/55/596857555.db2.gz LBCKSJKZWXZUCZ-XYJFISCASA-N 2 0 341.411 1.329 20 0 EDADRP COC1([C@@H](C)NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000875670562 596941089 /nfs/dbraw/zinc/94/10/89/596941089.db2.gz MZWNFWQARYEBJF-BZUAXINKSA-N 2 0 340.512 1.325 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(Cl)n1C ZINC000874266321 596991915 /nfs/dbraw/zinc/99/19/15/596991915.db2.gz JJVOCMYXCUVNSZ-ZDUSSCGKSA-N 2 0 341.887 1.562 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)[C@@H]3CCCCC[C@H]32)C[C@H]1C[NH+](C)C ZINC000872636870 597003135 /nfs/dbraw/zinc/00/31/35/597003135.db2.gz XONAMBPRYOFQPX-BRSBDYLESA-N 2 0 336.524 1.406 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CCCS2)C[C@H]1C[NH+](C)C ZINC000876049899 597072389 /nfs/dbraw/zinc/07/23/89/597072389.db2.gz OKIVGFSKZKCILO-BZUAXINKSA-N 2 0 342.553 1.653 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000874431550 597075613 /nfs/dbraw/zinc/07/56/13/597075613.db2.gz XBSHWZFIEUEDKW-FXAWDEMLSA-N 2 0 342.487 1.902 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000876203973 597133683 /nfs/dbraw/zinc/13/36/83/597133683.db2.gz SCGLZONRHHJNND-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@@H]2CCC[NH+]3C)cn1 ZINC000874822450 597184627 /nfs/dbraw/zinc/18/46/27/597184627.db2.gz IPEGUPWBOVVWTL-MLHJIOFPSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H]3[C@@H]2CCC[N@H+]3C)c1 ZINC000873111472 597199430 /nfs/dbraw/zinc/19/94/30/597199430.db2.gz ANKOTDXJUNDOSW-HOTGVXAUSA-N 2 0 330.432 1.087 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CCO1 ZINC000876542954 597234119 /nfs/dbraw/zinc/23/41/19/597234119.db2.gz APOZOOOMACZKPZ-ZWKOPEQDSA-N 2 0 331.338 1.280 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250919 597240478 /nfs/dbraw/zinc/24/04/78/597240478.db2.gz UCBJWFLWYOKHOE-DZKIICNBSA-N 2 0 326.462 1.335 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873255792 597241313 /nfs/dbraw/zinc/24/13/13/597241313.db2.gz IAHSDEJRDTZHLJ-VDHUWJSZSA-N 2 0 347.459 1.739 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH2+]CC1 ZINC000873265224 597243379 /nfs/dbraw/zinc/24/33/79/597243379.db2.gz LNIIQIJWYNWDHS-UONOGXRCSA-N 2 0 339.505 1.976 20 0 EDADRP c1ccc(N2CCC([NH2+]C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000873291953 597249357 /nfs/dbraw/zinc/24/93/57/597249357.db2.gz OKDVNIXRFFSWCR-KRWDZBQOSA-N 2 0 330.476 1.799 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)cn2)CC1 ZINC000873334343 597259879 /nfs/dbraw/zinc/25/98/79/597259879.db2.gz UJFPPCRJYGFWMO-DOTOQJQBSA-N 2 0 332.452 1.556 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCC[C@@H]1C ZINC000875071806 597269904 /nfs/dbraw/zinc/26/99/04/597269904.db2.gz NHAANGNOWSMGLK-JYJNAYRXSA-N 2 0 340.512 1.394 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1(F)F ZINC000876719040 597303004 /nfs/dbraw/zinc/30/30/04/597303004.db2.gz BIKPAIXMWOVMEF-HUUCEWRRSA-N 2 0 341.377 1.746 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000876738384 597314878 /nfs/dbraw/zinc/31/48/78/597314878.db2.gz CIMPMNPRAYKCJS-UHFFFAOYSA-N 2 0 347.488 1.582 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3C[C@@H]([NH3+])C3(C)C)CCCC2)CC1 ZINC000876760435 597326658 /nfs/dbraw/zinc/32/66/58/597326658.db2.gz UPRLNZKMYCOJMX-HZPDHXFCSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@H](N)c2cccc(Br)c2)C1 ZINC000876773455 597333747 /nfs/dbraw/zinc/33/37/47/597333747.db2.gz REZWHRRBBGRJHX-RISCZKNCSA-N 2 0 340.265 1.907 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000876776302 597336192 /nfs/dbraw/zinc/33/61/92/597336192.db2.gz HGURSUXTWHBIIU-QZTJIDSGSA-N 2 0 345.487 1.633 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000876847423 597357581 /nfs/dbraw/zinc/35/75/81/597357581.db2.gz KOMDJCQYKMNZDS-RBUKOAKNSA-N 2 0 339.439 1.568 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876846685 597357952 /nfs/dbraw/zinc/35/79/52/597357952.db2.gz DVVBUCAFPSHJFH-XJKSGUPXSA-N 2 0 325.403 1.664 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C)C(C)(C)CC1 ZINC000875266393 597359865 /nfs/dbraw/zinc/35/98/65/597359865.db2.gz UQIYWBOXAPGSMD-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000876857582 597361064 /nfs/dbraw/zinc/36/10/64/597361064.db2.gz SKGNPQRSCYDQAU-XBFCOCLRSA-N 2 0 327.350 1.916 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000876864166 597361390 /nfs/dbraw/zinc/36/13/90/597361390.db2.gz NZTMGTALWCYXNN-JTQLQIEISA-N 2 0 332.420 1.631 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H](N)C[NH+](C)C)c2)CC1 ZINC000876898013 597375615 /nfs/dbraw/zinc/37/56/15/597375615.db2.gz YBYCYOFLYKDGNC-SFHVURJKSA-N 2 0 332.492 1.788 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000876940325 597391146 /nfs/dbraw/zinc/39/11/46/597391146.db2.gz RFBDVVZACJSJIR-MRXNPFEDSA-N 2 0 333.480 1.530 20 0 EDADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000876957861 597396807 /nfs/dbraw/zinc/39/68/07/597396807.db2.gz JJNULUUCFVCRTD-QDLOVBKTSA-N 2 0 335.492 1.549 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000876960878 597397538 /nfs/dbraw/zinc/39/75/38/597397538.db2.gz OJHXLMRBFVRTAT-KZNAEPCWSA-N 2 0 331.460 1.387 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[NH2+]CC2CC2)cc1 ZINC000876964805 597399522 /nfs/dbraw/zinc/39/95/22/597399522.db2.gz QUQWHXGIJLQUNN-ROUUACIJSA-N 2 0 331.460 1.647 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876964910 597399677 /nfs/dbraw/zinc/39/96/77/597399677.db2.gz VILJGAKIWHYELH-LAVFITLUSA-N 2 0 349.450 1.595 20 0 EDADRP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000876966466 597400794 /nfs/dbraw/zinc/40/07/94/597400794.db2.gz QXKWNXRXJZEVHK-CQSZACIVSA-N 2 0 329.485 1.584 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000877105162 597434014 /nfs/dbraw/zinc/43/40/14/597434014.db2.gz IEAYJJAQZHAARF-KXBFYZLASA-N 2 0 341.455 1.941 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144301 597442071 /nfs/dbraw/zinc/44/20/71/597442071.db2.gz KEKFKRBMSSGWOQ-QZTJIDSGSA-N 3 0 346.519 1.260 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(N)cc2Cl)C[C@H]1C[NH+](C)C ZINC000877143568 597442167 /nfs/dbraw/zinc/44/21/67/597442167.db2.gz RYWOVHZCSNSOAQ-CHWSQXEVSA-N 2 0 338.883 1.734 20 0 EDADRP CCN(CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000877199004 597459235 /nfs/dbraw/zinc/45/92/35/597459235.db2.gz CKZFYQXBOLNCCI-UHFFFAOYSA-N 2 0 339.443 1.956 20 0 EDADRP O=C(C[C@H]1Cc2ccccc2O1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199593 597459868 /nfs/dbraw/zinc/45/98/68/597459868.db2.gz WYAQZAMXWOSEJI-MRXNPFEDSA-N 2 0 338.411 1.824 20 0 EDADRP C[N@@H+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CCC1(C)C ZINC000877206285 597462149 /nfs/dbraw/zinc/46/21/49/597462149.db2.gz FNNXEQNINNZTCA-INIZCTEOSA-N 2 0 328.460 1.980 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000877231749 597470656 /nfs/dbraw/zinc/47/06/56/597470656.db2.gz SIQUVRFXVUMSRX-HKUYNNGSSA-N 2 0 345.487 1.702 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1 ZINC000877231565 597470833 /nfs/dbraw/zinc/47/08/33/597470833.db2.gz OCCUVZXQMXWUOD-PKOBYXMFSA-N 2 0 333.476 1.830 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000877251993 597480195 /nfs/dbraw/zinc/48/01/95/597480195.db2.gz WUJSCJHRLJZIRL-NJAFHUGGSA-N 2 0 334.508 1.146 20 0 EDADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC[NH2+]CC1 ZINC000877253469 597481123 /nfs/dbraw/zinc/48/11/23/597481123.db2.gz YVCSNJSIQUXDSA-MRXNPFEDSA-N 2 0 345.491 1.098 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343641 597496535 /nfs/dbraw/zinc/49/65/35/597496535.db2.gz PFFXBMZIIIJQOV-QGZVFWFLSA-N 2 0 335.517 1.892 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877357268 597500053 /nfs/dbraw/zinc/50/00/53/597500053.db2.gz WONJKIITKQGELE-YUTCNCBUSA-N 2 0 345.365 1.161 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1C(F)(F)F ZINC000877358340 597500573 /nfs/dbraw/zinc/50/05/73/597500573.db2.gz BMGOWJLZKGHOMM-KYKFVJMVSA-N 2 0 333.398 1.736 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c1cccc(C(F)(F)F)c1)C2 ZINC000877370914 597503565 /nfs/dbraw/zinc/50/35/65/597503565.db2.gz IDUWFWSHPCFMGI-KCQAQPDRSA-N 2 0 327.350 1.773 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1)C2 ZINC000877371508 597503687 /nfs/dbraw/zinc/50/36/87/597503687.db2.gz IMRBZSRPPMOHAM-KCQAQPDRSA-N 2 0 327.350 1.773 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc3c(c2)OCCO3)C[C@H]1C[NH+](C)C ZINC000877669198 597546415 /nfs/dbraw/zinc/54/64/15/597546415.db2.gz XPMZSNHRPPCBIX-IAGOWNOFSA-N 2 0 333.476 1.629 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1cccc(-n2cccn2)c1 ZINC000878364212 597597807 /nfs/dbraw/zinc/59/78/07/597597807.db2.gz FPPUNAKVGDNECO-OAHLLOKOSA-N 2 0 341.459 1.733 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000878602844 597652043 /nfs/dbraw/zinc/65/20/43/597652043.db2.gz IUPWTMOHZTYFKN-MRXNPFEDSA-N 2 0 349.475 1.955 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc3c(cn2)CCC3)C[C@H]1C[NH+](C)C ZINC000879675449 597682339 /nfs/dbraw/zinc/68/23/39/597682339.db2.gz MPUZIZMCUXGINP-IAGOWNOFSA-N 2 0 345.491 1.773 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431911 597744403 /nfs/dbraw/zinc/74/44/03/597744403.db2.gz GKMQXJXARFUJCE-IAGOWNOFSA-N 2 0 349.479 1.350 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586425 597815209 /nfs/dbraw/zinc/81/52/09/597815209.db2.gz LIRHZAHTOIXTJE-PBHICJAKSA-N 2 0 329.448 1.536 20 0 EDADRP COCC[N@H+](C[C@H](O)C[C@@](C)(O)C1CC1)CC1CC[NH+](C)CC1 ZINC000879125787 597827887 /nfs/dbraw/zinc/82/78/87/597827887.db2.gz IRWYHSWROOJBRN-QZTJIDSGSA-N 2 0 328.497 1.189 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc3c2OCC3)C[C@H]1C[NH+](C)C ZINC000880165229 597861645 /nfs/dbraw/zinc/86/16/45/597861645.db2.gz NSXCITZKZVCHHS-HZPDHXFCSA-N 2 0 346.475 1.825 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](CC(=O)NCC(=O)OC(C)(C)C)CC2 ZINC000879250135 597864736 /nfs/dbraw/zinc/86/47/36/597864736.db2.gz NHBZAFXCTAQBOK-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@H]1C[N@H+](CCc2nnnn2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880262404 597886948 /nfs/dbraw/zinc/88/69/48/597886948.db2.gz YWAOTFSCMANMBY-INIZCTEOSA-N 2 0 349.442 1.811 20 0 EDADRP [NH3+][C@H](C(=O)N1CCN(C2CC2)CC1)c1ccc(Br)cc1 ZINC000884185246 598018030 /nfs/dbraw/zinc/01/80/30/598018030.db2.gz PDCGINKYYYBAAY-AWEZNQCLSA-N 2 0 338.249 1.756 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884197908 598024705 /nfs/dbraw/zinc/02/47/05/598024705.db2.gz IIJSYEICJPLRTP-JKSUJKDBSA-N 2 0 343.475 1.786 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884222738 598034574 /nfs/dbraw/zinc/03/45/74/598034574.db2.gz YYIOASSEXTZAGI-HZPDHXFCSA-N 2 0 331.464 1.094 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884269911 598049476 /nfs/dbraw/zinc/04/94/76/598049476.db2.gz BRJKOOLFJCJIEA-WQAKAFBOSA-N 2 0 326.238 1.563 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000888858576 598049516 /nfs/dbraw/zinc/04/95/16/598049516.db2.gz UTNHNZYKUACCOL-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884271300 598049802 /nfs/dbraw/zinc/04/98/02/598049802.db2.gz BFENGFKBLHLBJI-XDTLVQLUSA-N 2 0 326.238 1.706 20 0 EDADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884346399 598076545 /nfs/dbraw/zinc/07/65/45/598076545.db2.gz JVGGKZRIQIHJGJ-MRXNPFEDSA-N 2 0 337.427 1.021 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000914076091 695071216 /nfs/dbraw/zinc/07/12/16/695071216.db2.gz PPDHGIOQXXGSFN-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnon3)[C@H]2C1)C1CCC1 ZINC000992717478 695233759 /nfs/dbraw/zinc/23/37/59/695233759.db2.gz VUTFJYAXTSDVCH-JQFCIGGWSA-N 2 0 347.463 1.271 20 0 EDADRP Cc1c(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)ccc2c[nH+]cn21 ZINC000992738860 695260854 /nfs/dbraw/zinc/26/08/54/695260854.db2.gz IKWJVAOSXLVOON-QGTPRVQTSA-N 2 0 342.443 1.465 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000914219910 695284586 /nfs/dbraw/zinc/28/45/86/695284586.db2.gz DXGPMRWHXPFHRN-GVDBMIGSSA-N 2 0 336.480 1.166 20 0 EDADRP O=C(Cc1cnc[nH]1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@@H]2C1 ZINC000992821886 695378688 /nfs/dbraw/zinc/37/86/88/695378688.db2.gz PPJSVMIJFUTLSE-MAZHCROVSA-N 2 0 329.404 1.357 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCF)[C@H]2C1 ZINC000992852149 695408324 /nfs/dbraw/zinc/40/83/24/695408324.db2.gz CBNYAWXGRMWCGV-CWRNSKLLSA-N 2 0 334.439 1.947 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cncs3)[C@@H]2C1 ZINC000992914024 695450529 /nfs/dbraw/zinc/45/05/29/695450529.db2.gz FLYAVEAWUFZHCR-USXIJHARSA-N 2 0 348.516 1.956 20 0 EDADRP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccnn1C ZINC000993927400 696446890 /nfs/dbraw/zinc/44/68/90/696446890.db2.gz LZXJFWVFABIOHH-YJBOKZPZSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)CCC[N@@H+]1CC1CC1 ZINC000993987268 696482878 /nfs/dbraw/zinc/48/28/78/696482878.db2.gz MFCZJXNZKWMNQS-YOEHRIQHSA-N 2 0 333.480 1.437 20 0 EDADRP Cc1cccnc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994246180 696626228 /nfs/dbraw/zinc/62/62/28/696626228.db2.gz AXJHLPFQOWYGAR-DLBZAZTESA-N 2 0 342.487 1.955 20 0 EDADRP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000940007993 700109507 /nfs/dbraw/zinc/10/95/07/700109507.db2.gz CTZCHWFFJZRHEY-OAHLLOKOSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@H]1[C@H](NC(=O)C[NH+]2CCCC2)CCC[N@@H+]1CCc1ccns1 ZINC000994403441 696825852 /nfs/dbraw/zinc/82/58/52/696825852.db2.gz CFLIGANBTNOPMA-GOEBONIOSA-N 2 0 336.505 1.751 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CN(CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382584 697000911 /nfs/dbraw/zinc/00/09/11/697000911.db2.gz YRCDJKHKLZMIHP-DLBZAZTESA-N 2 0 327.472 1.859 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000917836316 697084608 /nfs/dbraw/zinc/08/46/08/697084608.db2.gz DWCYGOVZQJPCGY-MRXNPFEDSA-N 2 0 335.452 1.058 20 0 EDADRP C[N@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(C[C@H](O)CO)CC1 ZINC000930072094 697273458 /nfs/dbraw/zinc/27/34/58/697273458.db2.gz PFZHJHAVWDSQHT-INIZCTEOSA-N 2 0 346.393 1.955 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CN(C)CCO3)C2)c(C)c1 ZINC001031597196 697296653 /nfs/dbraw/zinc/29/66/53/697296653.db2.gz WMBPTAHWBYHOAH-GOSISDBHSA-N 2 0 331.460 1.182 20 0 EDADRP CN1Cc2ccc(NC(=S)NCCCN3CCOCC3)cc2C1 ZINC000919719211 697322749 /nfs/dbraw/zinc/32/27/49/697322749.db2.gz XZHULNVCFIQMIY-UHFFFAOYSA-N 2 0 334.489 1.641 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000352744722 697333433 /nfs/dbraw/zinc/33/34/33/697333433.db2.gz QEMDJKBZLKGQPN-DLBZAZTESA-N 2 0 325.497 1.866 20 0 EDADRP O=C(NCC1CN(Cc2ccc(F)cc2F)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675341 697485087 /nfs/dbraw/zinc/48/50/87/697485087.db2.gz DOGPENPUAUSHCO-KRWDZBQOSA-N 2 0 349.425 1.855 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001031675656 697487580 /nfs/dbraw/zinc/48/75/80/697487580.db2.gz PTMRTADWGIAQAT-IBGZPJMESA-N 2 0 343.471 1.585 20 0 EDADRP CC(C)=CC[NH+]1CC(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC001031685986 697515748 /nfs/dbraw/zinc/51/57/48/697515748.db2.gz IDVOMWFAWPDHJD-QGZVFWFLSA-N 2 0 331.464 1.804 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689574 697531259 /nfs/dbraw/zinc/53/12/59/697531259.db2.gz WETFGMGPBZYBBQ-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001031729619 698055510 /nfs/dbraw/zinc/05/55/10/698055510.db2.gz RDBZVVXQZSSERG-IAGOWNOFSA-N 2 0 325.497 1.437 20 0 EDADRP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943518496 698433620 /nfs/dbraw/zinc/43/36/20/698433620.db2.gz SWCYPMBICKOAOH-SJLPKXTDSA-N 2 0 347.507 1.851 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)CC[N@@H+]1C ZINC000940116808 700248867 /nfs/dbraw/zinc/24/88/67/700248867.db2.gz HUIYTZYTMVWBKS-CHWSQXEVSA-N 2 0 337.493 1.349 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3cnn(C)c3)C[C@H]2C)CC1 ZINC000943756755 698833392 /nfs/dbraw/zinc/83/33/92/698833392.db2.gz VROKXWZFLRFHBT-SJLPKXTDSA-N 2 0 347.507 1.479 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118416 698989268 /nfs/dbraw/zinc/98/92/68/698989268.db2.gz FPCMJDNSVVGGRW-LJQANCHMSA-N 2 0 349.519 1.726 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881851 699013810 /nfs/dbraw/zinc/01/38/10/699013810.db2.gz KBRGPADWPIUEDA-RDJZCZTQSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941538170 701569710 /nfs/dbraw/zinc/56/97/10/701569710.db2.gz UTKISTGMDJMGFG-UHFFFAOYSA-N 2 0 346.475 1.193 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)CC1 ZINC000941545119 701576051 /nfs/dbraw/zinc/57/60/51/701576051.db2.gz NAHWHTMNRLWQJQ-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP Cc1nc2c([nH]1)C[C@@H](C(=O)NCC1C[NH+](C[C@@H]3CCCCO3)C1)CC2 ZINC001031788966 699240363 /nfs/dbraw/zinc/24/03/63/699240363.db2.gz LGQBWPQJVNCEPB-HOTGVXAUSA-N 2 0 346.475 1.440 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)C1 ZINC000941596021 701587606 /nfs/dbraw/zinc/58/76/06/701587606.db2.gz SYZKSMSGBXSYGM-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939258167 699435820 /nfs/dbraw/zinc/43/58/20/699435820.db2.gz PNZWJSXYMKUFMB-RDTXWAMCSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)nn1C ZINC000939396523 699546402 /nfs/dbraw/zinc/54/64/02/699546402.db2.gz JSLKIHUDZMLREJ-MAUKXSAKSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cccc(F)c1F ZINC000939545912 699687809 /nfs/dbraw/zinc/68/78/09/699687809.db2.gz PQGQPYVQNYXODY-BBRMVZONSA-N 2 0 349.425 1.997 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941675020 701614892 /nfs/dbraw/zinc/61/48/92/701614892.db2.gz QIQAXUCZTCSBJA-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000995003605 699888313 /nfs/dbraw/zinc/88/83/13/699888313.db2.gz BRERRNGMWFGLET-NVXWUHKLSA-N 2 0 345.491 1.423 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)s1 ZINC000939754630 699904885 /nfs/dbraw/zinc/90/48/85/699904885.db2.gz NUGMVBPQMCJBTF-DOMZBBRYSA-N 2 0 336.505 1.792 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)CCO1 ZINC001031850124 699938860 /nfs/dbraw/zinc/93/88/60/699938860.db2.gz POWRXOWFZZSVFH-HUUCEWRRSA-N 2 0 342.443 1.811 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995166704 701631727 /nfs/dbraw/zinc/63/17/27/701631727.db2.gz HGEFKXDNHOFRHX-WBVHZDCISA-N 2 0 343.475 1.255 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)cn1 ZINC000940247342 700411826 /nfs/dbraw/zinc/41/18/26/700411826.db2.gz DTAAFMIFWUVYQG-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995057004 700412179 /nfs/dbraw/zinc/41/21/79/700412179.db2.gz TVRJUEFNMWZHJB-HZPDHXFCSA-N 2 0 347.507 1.669 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000940328359 700506267 /nfs/dbraw/zinc/50/62/67/700506267.db2.gz HPEZQEIZFDDRLS-CZUORRHYSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940328661 700506716 /nfs/dbraw/zinc/50/67/16/700506716.db2.gz MQDBVIYAJXRRKO-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CC3CCOCC3)CC2)C1 ZINC000940328587 700506794 /nfs/dbraw/zinc/50/67/94/700506794.db2.gz LAVDKUPZSRSHOM-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000940329164 700508244 /nfs/dbraw/zinc/50/82/44/700508244.db2.gz QLIXXKVAUILPRL-OAHLLOKOSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426079 700619607 /nfs/dbraw/zinc/61/96/07/700619607.db2.gz FBSZPQIPDWLBAB-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428214 700622481 /nfs/dbraw/zinc/62/24/81/700622481.db2.gz YVMPWTVPOCTPBM-UHFFFAOYSA-N 2 0 343.475 1.352 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940471947 700657280 /nfs/dbraw/zinc/65/72/80/700657280.db2.gz CQKHVWWEPSMPFB-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940472125 700657504 /nfs/dbraw/zinc/65/75/04/700657504.db2.gz KBTSUWNSNWSBKT-HOTGVXAUSA-N 2 0 347.507 1.764 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472392 700657762 /nfs/dbraw/zinc/65/77/62/700657762.db2.gz VMZHFMZQXBOONA-HUUCEWRRSA-N 2 0 348.495 1.159 20 0 EDADRP CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461718 700664823 /nfs/dbraw/zinc/66/48/23/700664823.db2.gz JLRJWXNUGSMHOK-UHFFFAOYSA-N 2 0 334.439 1.787 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000995168588 701664300 /nfs/dbraw/zinc/66/43/00/701664300.db2.gz OYFWMSLKFNJOJU-SJORKVTESA-N 2 0 335.492 1.383 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031932065 701381344 /nfs/dbraw/zinc/38/13/44/701381344.db2.gz RWGZNXSEWUFKEO-OAHLLOKOSA-N 2 0 349.475 1.820 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999170379 706599781 /nfs/dbraw/zinc/59/97/81/706599781.db2.gz PTDAYWYCWCMCEC-IAGOWNOFSA-N 2 0 346.475 1.659 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](O)C3CCCCC3)C2)CC1 ZINC001031947239 701500655 /nfs/dbraw/zinc/50/06/55/701500655.db2.gz DVAIXJHPSGKAAW-SFHVURJKSA-N 2 0 337.508 1.317 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000941408340 701520942 /nfs/dbraw/zinc/52/09/42/701520942.db2.gz BBAKACKEQQQJEG-VQIMIIECSA-N 2 0 348.535 1.203 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436833 701540180 /nfs/dbraw/zinc/54/01/80/701540180.db2.gz HUOAXEYDMCXAQF-OAHLLOKOSA-N 2 0 340.487 1.047 20 0 EDADRP CC1CC(C[NH2+][C@@H]2CCCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000999181821 706609285 /nfs/dbraw/zinc/60/92/85/706609285.db2.gz NCTRITJNPRHBEK-OFLPRAFFSA-N 2 0 347.507 1.685 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976348 701959162 /nfs/dbraw/zinc/95/91/62/701959162.db2.gz JJUSWNCCBKJGHP-HNAYVOBHSA-N 2 0 345.487 1.483 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189099 706630830 /nfs/dbraw/zinc/63/08/30/706630830.db2.gz IHHDSNNNETZGIV-DJIMGWMZSA-N 2 0 333.480 1.324 20 0 EDADRP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976975 702005084 /nfs/dbraw/zinc/00/50/84/702005084.db2.gz UQXCYGQDRZLMNC-IUODEOHRSA-N 2 0 336.505 1.240 20 0 EDADRP CC1CC(C[NH+]2CC(CNC(=O)c3cc(CN4CCCC4)on3)C2)C1 ZINC001031978316 702080036 /nfs/dbraw/zinc/08/00/36/702080036.db2.gz BTOOKICJUAUTKT-UHFFFAOYSA-N 2 0 346.475 1.978 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)o1 ZINC000995825879 702097868 /nfs/dbraw/zinc/09/78/68/702097868.db2.gz SOCGGADTKMKEEK-SJORKVTESA-N 2 0 346.475 1.651 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)CC[N@@H+]1C ZINC000999203406 706648482 /nfs/dbraw/zinc/64/84/82/706648482.db2.gz BPEZVILJZABYOB-HRCADAONSA-N 2 0 333.480 1.231 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)C1CC1 ZINC000995896630 702200563 /nfs/dbraw/zinc/20/05/63/702200563.db2.gz PHVLQUJDEQILSF-DLBZAZTESA-N 2 0 348.466 1.888 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1)C1CCC1 ZINC000995920199 702241574 /nfs/dbraw/zinc/24/15/74/702241574.db2.gz TXNBPGOHAYNOAL-OAHLLOKOSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995913868 702273418 /nfs/dbraw/zinc/27/34/18/702273418.db2.gz BXTAQIRENBBGQY-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995964421 702309274 /nfs/dbraw/zinc/30/92/74/702309274.db2.gz ANUKBNSXEIAXEN-IAGOWNOFSA-N 2 0 347.507 1.539 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccc(OC)n2)C(C)(C)C1)[NH+](C)C ZINC000995953374 702317345 /nfs/dbraw/zinc/31/73/45/702317345.db2.gz USASAJQYYOMCKT-HZPDHXFCSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1cccc(C)c1OCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186314 702322906 /nfs/dbraw/zinc/32/29/06/702322906.db2.gz NJIJVPLAAVCHOR-GOSISDBHSA-N 2 0 345.487 1.682 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995994588 702372322 /nfs/dbraw/zinc/37/23/22/702372322.db2.gz FXAMEIJLAKZVCX-HNNXBMFYSA-N 2 0 345.491 1.375 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]C[C@H]1CCCOC1 ZINC000995999334 702378927 /nfs/dbraw/zinc/37/89/27/702378927.db2.gz UFDLXGPYCQCOPH-SJORKVTESA-N 2 0 349.519 1.868 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)cn1 ZINC000996001459 702380802 /nfs/dbraw/zinc/38/08/02/702380802.db2.gz YXOZRTLNHSBZEG-MRXNPFEDSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccns2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944167267 702405449 /nfs/dbraw/zinc/40/54/49/702405449.db2.gz CDBAZZOXQGWIGU-UKRRQHHQSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)sn1 ZINC000944168258 702407818 /nfs/dbraw/zinc/40/78/18/702407818.db2.gz IGLVXTSHFQNWJO-XJKSGUPXSA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000942058105 702508510 /nfs/dbraw/zinc/50/85/10/702508510.db2.gz TVMUWULBDRDJIY-DLBZAZTESA-N 2 0 349.523 1.931 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186709 702591160 /nfs/dbraw/zinc/59/11/60/702591160.db2.gz IXOKSRGFWKLLSN-SJORKVTESA-N 2 0 337.508 1.722 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996219734 702631003 /nfs/dbraw/zinc/63/10/03/702631003.db2.gz BQZGNVVANMWDLL-QGZVFWFLSA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)[NH+](C)C ZINC000996248762 702651219 /nfs/dbraw/zinc/65/12/19/702651219.db2.gz QBKHJOIKLFKVGS-DLBZAZTESA-N 2 0 339.524 1.826 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)cn1 ZINC000996300042 702691133 /nfs/dbraw/zinc/69/11/33/702691133.db2.gz JDHOURLQQXTKTB-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1 ZINC000996301984 702694119 /nfs/dbraw/zinc/69/41/19/702694119.db2.gz VRKJZXFJNQVFGX-WBVHZDCISA-N 2 0 347.507 1.274 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996302567 702694394 /nfs/dbraw/zinc/69/43/94/702694394.db2.gz XGTITCQZNDOWJJ-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996302757 702694635 /nfs/dbraw/zinc/69/46/35/702694635.db2.gz YWGLCCRCMPDQQJ-JKSUJKDBSA-N 2 0 347.507 1.714 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnc(C)nc2)C(C)(C)C1)[NH+](C)C ZINC000996314035 702702379 /nfs/dbraw/zinc/70/23/79/702702379.db2.gz IAJPXXWDGGGRCF-HOTGVXAUSA-N 2 0 333.480 1.452 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC000995217360 702737892 /nfs/dbraw/zinc/73/78/92/702737892.db2.gz WNYGOFRIXDBXPO-HZPDHXFCSA-N 2 0 333.480 1.199 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996512067 702831292 /nfs/dbraw/zinc/83/12/92/702831292.db2.gz ABVPQRTXJWGWTH-DOTOQJQBSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C)c1cnccn1 ZINC000996520258 702856198 /nfs/dbraw/zinc/85/61/98/702856198.db2.gz OUTODZBFWCXYRM-GOEBONIOSA-N 2 0 343.475 1.460 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccs3)CC2)CC[N@@H+]1C ZINC000996604026 702913343 /nfs/dbraw/zinc/91/33/43/702913343.db2.gz QIZKKPYANFGSNE-LSDHHAIUSA-N 2 0 336.505 1.954 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996612192 702917378 /nfs/dbraw/zinc/91/73/78/702917378.db2.gz QBTXSOHMUJEUKM-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996616868 702924225 /nfs/dbraw/zinc/92/42/25/702924225.db2.gz UQKFWTRZHLJUSI-DLBZAZTESA-N 2 0 347.507 1.278 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623071 702928250 /nfs/dbraw/zinc/92/82/50/702928250.db2.gz UZOUCYYDFJSWQX-ROUUACIJSA-N 2 0 344.459 1.025 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000996658930 702946022 /nfs/dbraw/zinc/94/60/22/702946022.db2.gz DKFPAOWINBPLFU-MRXNPFEDSA-N 2 0 335.452 1.333 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996661070 702958501 /nfs/dbraw/zinc/95/85/01/702958501.db2.gz LFEPJEQPSXWPFU-INIZCTEOSA-N 2 0 333.480 1.375 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996661165 702958523 /nfs/dbraw/zinc/95/85/23/702958523.db2.gz LTERGKQPFPSFTF-MRXNPFEDSA-N 2 0 331.464 1.432 20 0 EDADRP C[C@H]([NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C)C(N)=O ZINC000996663525 702961435 /nfs/dbraw/zinc/96/14/35/702961435.db2.gz OZWPBYUSZIHMPD-BBRMVZONSA-N 2 0 346.475 1.062 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)C1CC1 ZINC000996674847 702970054 /nfs/dbraw/zinc/97/00/54/702970054.db2.gz CYSWKTJCACZIPL-GOSISDBHSA-N 2 0 346.475 1.973 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996668994 702970292 /nfs/dbraw/zinc/97/02/92/702970292.db2.gz NNISXUZMXPTPLS-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC000996671494 702972441 /nfs/dbraw/zinc/97/24/41/702972441.db2.gz OGZGZUCRYADZRZ-UHFFFAOYSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996678903 702977467 /nfs/dbraw/zinc/97/74/67/702977467.db2.gz OQRWWGSBEHNZFL-GOSISDBHSA-N 2 0 330.476 1.811 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996692897 702990189 /nfs/dbraw/zinc/99/01/89/702990189.db2.gz ZWKUFQXZCATKTH-INIZCTEOSA-N 2 0 333.480 1.375 20 0 EDADRP COc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cn3ccnc3)C2)n1 ZINC000995256753 703006044 /nfs/dbraw/zinc/00/60/44/703006044.db2.gz ZYYWEIPBVSAFGI-GJZGRUSLSA-N 2 0 343.431 1.361 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996715369 703010138 /nfs/dbraw/zinc/01/01/38/703010138.db2.gz FSZKRBRFUFTCDG-GOEBONIOSA-N 2 0 349.504 1.636 20 0 EDADRP Cc1nonc1CN1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H](C)C1 ZINC000942556178 703070306 /nfs/dbraw/zinc/07/03/06/703070306.db2.gz WLTMVIWZUBHVRO-ZFWWWQNUSA-N 2 0 349.479 1.579 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000942597979 703112737 /nfs/dbraw/zinc/11/27/37/703112737.db2.gz PDXOVXUKUMOXTR-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP CN1CCO[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCCc2ccccc2)C1 ZINC001032331943 703113388 /nfs/dbraw/zinc/11/33/88/703113388.db2.gz NBOTUVSZOKPXHG-GBESFXJTSA-N 2 0 343.471 1.235 20 0 EDADRP CC[NH2+]C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C(F)(F)F ZINC000996854276 703132728 /nfs/dbraw/zinc/13/27/28/703132728.db2.gz GIBYGRWLQOSBKW-KBPBESRZSA-N 2 0 335.414 1.965 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]CCn2cccn2)CC1)[NH+]1CCCC1 ZINC000996867492 703140367 /nfs/dbraw/zinc/14/03/67/703140367.db2.gz JVSRPALGZRMQSU-UHFFFAOYSA-N 2 0 333.480 1.338 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000996966173 703226305 /nfs/dbraw/zinc/22/63/05/703226305.db2.gz QUMKXKASXPDCOE-RTBURBONSA-N 2 0 347.503 1.887 20 0 EDADRP Cc1nccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996981878 703236472 /nfs/dbraw/zinc/23/64/72/703236472.db2.gz YIAMDDZDHGQHJM-KDOFPFPSSA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997002330 703258941 /nfs/dbraw/zinc/25/89/41/703258941.db2.gz VJTZJBLPDGVVJN-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)[nH]1 ZINC000997005679 703263198 /nfs/dbraw/zinc/26/31/98/703263198.db2.gz IXEXQHKUBVSIPR-QWHCGFSZSA-N 2 0 334.468 1.097 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997007134 703264485 /nfs/dbraw/zinc/26/44/85/703264485.db2.gz OVIPHPLZNIQEKJ-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CC1 ZINC000997059167 703304611 /nfs/dbraw/zinc/30/46/11/703304611.db2.gz WCGJWCGDKJRWCA-XLIONFOSSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2nncn2C)CC1)[NH+]1CCCCCC1 ZINC000997061234 703306033 /nfs/dbraw/zinc/30/60/33/703306033.db2.gz AZRUGWSQARAHOH-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997091675 703337659 /nfs/dbraw/zinc/33/76/59/703337659.db2.gz GEQNVSZCLBHDJH-WMZOPIPTSA-N 2 0 345.491 1.518 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3nccn3C)CC2)CC1 ZINC000997115211 703368912 /nfs/dbraw/zinc/36/89/12/703368912.db2.gz KEZJMUYOJZQEQU-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1)c1nncn1C ZINC000997116099 703370529 /nfs/dbraw/zinc/37/05/29/703370529.db2.gz UXNFEVYVLBNZEC-HNNXBMFYSA-N 2 0 348.495 1.189 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000921529540 703390097 /nfs/dbraw/zinc/39/00/97/703390097.db2.gz BGCFVTWAPWRPMT-HZPDHXFCSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H](NC(=O)c1cc2c[nH]ccc-2n1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997178260 703464595 /nfs/dbraw/zinc/46/45/95/703464595.db2.gz RRJNZPZCENGWIV-QWHCGFSZSA-N 2 0 330.432 1.774 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000997178076 703464638 /nfs/dbraw/zinc/46/46/38/703464638.db2.gz BLSAMWCPEQXFJU-OAHLLOKOSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)co1 ZINC000997184726 703473583 /nfs/dbraw/zinc/47/35/83/703473583.db2.gz DOHSVEOYDZSLFS-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)on1 ZINC000997189100 703478912 /nfs/dbraw/zinc/47/89/12/703478912.db2.gz XJASWVXEAPHSKQ-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP Cn1cc(Cl)c(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000997306688 703565364 /nfs/dbraw/zinc/56/53/64/703565364.db2.gz IGFGZOYSJQBSNB-UHFFFAOYSA-N 2 0 339.871 1.250 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997359171 703589788 /nfs/dbraw/zinc/58/97/88/703589788.db2.gz GEBIDZIYTHEILY-HOTGVXAUSA-N 2 0 333.480 1.337 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997360214 703590691 /nfs/dbraw/zinc/59/06/91/703590691.db2.gz MOTGUXCCPOFRCC-GJZGRUSLSA-N 2 0 333.480 1.374 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000997362673 703596572 /nfs/dbraw/zinc/59/65/72/703596572.db2.gz BAPDLZPFSBKLTJ-QGZVFWFLSA-N 2 0 347.507 1.858 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)no1 ZINC000997364962 703598198 /nfs/dbraw/zinc/59/81/98/703598198.db2.gz OZBSLXMHLRAQHH-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP CCC(CC)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705641 706756029 /nfs/dbraw/zinc/75/60/29/706756029.db2.gz DFLQQADQSRJUCG-IRXDYDNUSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH2+]C[C@@H](C)O)CC2)o1 ZINC000997405929 703661219 /nfs/dbraw/zinc/66/12/19/703661219.db2.gz UAZRMGYEMSEBBY-CQSZACIVSA-N 2 0 337.464 1.696 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccccc1 ZINC001032480297 703721338 /nfs/dbraw/zinc/72/13/38/703721338.db2.gz WJNUNPUTUSUECU-LNLFQRSKSA-N 2 0 343.471 1.835 20 0 EDADRP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997605851 703903181 /nfs/dbraw/zinc/90/31/81/703903181.db2.gz IFNYBYXKQXPIQA-GOSISDBHSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000997613802 703913317 /nfs/dbraw/zinc/91/33/17/703913317.db2.gz PYHNYAZSUNPDHD-QGZVFWFLSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)sn1 ZINC000995551006 703955286 /nfs/dbraw/zinc/95/52/86/703955286.db2.gz LMKSUOFZQDGOFI-GJZGRUSLSA-N 2 0 336.505 1.872 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001004208427 703969193 /nfs/dbraw/zinc/96/91/93/703969193.db2.gz PBZBMUKNTXMDJX-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033071233 704092169 /nfs/dbraw/zinc/09/21/69/704092169.db2.gz XVGODGUANCUMOI-MSOLQXFVSA-N 2 0 337.508 1.819 20 0 EDADRP Cc1nonc1CNC1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999292778 706789732 /nfs/dbraw/zinc/78/97/32/706789732.db2.gz FYXQBPSJCZJXSF-UJHNXHIOSA-N 2 0 335.452 1.187 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033083571 704142000 /nfs/dbraw/zinc/14/20/00/704142000.db2.gz YEMOFUATVMWOLG-RTBURBONSA-N 2 0 349.519 1.678 20 0 EDADRP CC(C)n1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033091102 704165565 /nfs/dbraw/zinc/16/55/65/704165565.db2.gz GWFUZFXFACBSLJ-BPQIPLTHSA-N 2 0 347.507 1.837 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308066 706808799 /nfs/dbraw/zinc/80/87/99/706808799.db2.gz OUHDNVDPAMXYPT-QZTJIDSGSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999301870 706805311 /nfs/dbraw/zinc/80/53/11/706805311.db2.gz DGVAFFJKMZSYNW-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cnc3c(C(N)=O)cnn3c2)CC1 ZINC000922847869 704425571 /nfs/dbraw/zinc/42/55/71/704425571.db2.gz HNLFNWKZXCGSFO-UHFFFAOYSA-N 2 0 342.447 1.325 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997778630 704680834 /nfs/dbraw/zinc/68/08/34/704680834.db2.gz ZUCIYGGEOSUBKI-QGZVFWFLSA-N 2 0 345.491 1.678 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000997785948 704690631 /nfs/dbraw/zinc/69/06/31/704690631.db2.gz OGGNGOSRZPJLKK-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997783982 704694362 /nfs/dbraw/zinc/69/43/62/704694362.db2.gz NHVJEHWXSIUWMT-MOPGFXCFSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997826116 704745333 /nfs/dbraw/zinc/74/53/33/704745333.db2.gz JMGFCZLPJZAIJV-MRXNPFEDSA-N 2 0 349.479 1.376 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)C1CCC1 ZINC000997830635 704747319 /nfs/dbraw/zinc/74/73/19/704747319.db2.gz KWGISZZBFFZJEJ-UHFFFAOYSA-N 2 0 331.464 1.289 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830655 704748001 /nfs/dbraw/zinc/74/80/01/704748001.db2.gz LDEIWBWSXUKBGZ-SFHVURJKSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccccn2)CC1 ZINC000997836965 704754069 /nfs/dbraw/zinc/75/40/69/704754069.db2.gz OJLZACSKBRVDJN-INIZCTEOSA-N 2 0 342.487 1.894 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000997889489 704791516 /nfs/dbraw/zinc/79/15/16/704791516.db2.gz XMRCBANQDZSZNP-UHFFFAOYSA-N 2 0 345.491 1.377 20 0 EDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943654 704796202 /nfs/dbraw/zinc/79/62/02/704796202.db2.gz JHQLVCXROLNYHE-SJLPKXTDSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945604 704798546 /nfs/dbraw/zinc/79/85/46/704798546.db2.gz SKDKCONWUDKWNF-ZBFHGGJFSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946241 704799421 /nfs/dbraw/zinc/79/94/21/704799421.db2.gz VYPKKMJOFWDLIM-QAPCUYQASA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965639 704836705 /nfs/dbraw/zinc/83/67/05/704836705.db2.gz TVUHJLUVJRANGX-AAEUAGOBSA-N 2 0 332.370 1.971 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950259 705075760 /nfs/dbraw/zinc/07/57/60/705075760.db2.gz RDQVUXBEGRMARC-QZTJIDSGSA-N 2 0 347.507 1.680 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950258 705075875 /nfs/dbraw/zinc/07/58/75/705075875.db2.gz RDQVUXBEGRMARC-MSOLQXFVSA-N 2 0 347.507 1.680 20 0 EDADRP CC(C)(C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)[NH+]1CCCC1 ZINC000997957163 705088070 /nfs/dbraw/zinc/08/80/70/705088070.db2.gz SVUGNRTYTPQTIH-UHFFFAOYSA-N 2 0 345.491 1.679 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998018309 705193658 /nfs/dbraw/zinc/19/36/58/705193658.db2.gz VMRVTHAXGLKPRV-UHFFFAOYSA-N 2 0 346.431 1.971 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998081195 705301389 /nfs/dbraw/zinc/30/13/89/705301389.db2.gz GSHBPQNMHXFSQX-UKRRQHHQSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000998080540 705306478 /nfs/dbraw/zinc/30/64/78/705306478.db2.gz CXLZEGZPCBCBQY-AWEZNQCLSA-N 2 0 348.491 1.961 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)[nH]1 ZINC000998136071 705400936 /nfs/dbraw/zinc/40/09/36/705400936.db2.gz MKJHWALJMYHHJF-UHFFFAOYSA-N 2 0 348.495 1.173 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@H+](C[C@@H]2CCOC2)CC1 ZINC000998176774 705473236 /nfs/dbraw/zinc/47/32/36/705473236.db2.gz OBISMNUIJBQVDH-ROUUACIJSA-N 2 0 349.519 1.822 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)on1 ZINC000998216416 705538457 /nfs/dbraw/zinc/53/84/57/705538457.db2.gz HTRFPQBSZXBGTD-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)Cc3[nH]cnc3C)CC2)o1 ZINC000998244247 705590116 /nfs/dbraw/zinc/59/01/16/705590116.db2.gz JNBHVKOWNMSFDE-UHFFFAOYSA-N 2 0 345.447 1.839 20 0 EDADRP CC(C)c1nnc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC000998269407 705652138 /nfs/dbraw/zinc/65/21/38/705652138.db2.gz OVSYDJNPUOVWAO-UHFFFAOYSA-N 2 0 348.495 1.352 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998288909 705689421 /nfs/dbraw/zinc/68/94/21/705689421.db2.gz XRLSYEFKVSVSJY-HZPDHXFCSA-N 2 0 345.491 1.678 20 0 EDADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)n1 ZINC000998547866 705982926 /nfs/dbraw/zinc/98/29/26/705982926.db2.gz BICDZNUIKKAPGD-DAWZGUTISA-N 2 0 330.476 1.872 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998792148 706239024 /nfs/dbraw/zinc/23/90/24/706239024.db2.gz UIYDJCPKVKSHTP-PRLABOORSA-N 2 0 331.464 1.204 20 0 EDADRP Cc1ccccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000998815753 706257796 /nfs/dbraw/zinc/25/77/96/706257796.db2.gz APHNDTBNBTVGFT-MSOLQXFVSA-N 2 0 331.460 1.406 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000998995730 706413077 /nfs/dbraw/zinc/41/30/77/706413077.db2.gz UFEUPOXILOAPNH-JCYILVPMSA-N 2 0 331.464 1.348 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000998996232 706413819 /nfs/dbraw/zinc/41/38/19/706413819.db2.gz XXUUSKIGIHCFIZ-OFLPRAFFSA-N 2 0 346.475 1.654 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999052453 706473568 /nfs/dbraw/zinc/47/35/68/706473568.db2.gz XBYZMVCDUYSWGU-UHFFFAOYSA-N 2 0 345.491 1.436 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCCCO3)C[C@H]2CC1 ZINC000946517172 706519193 /nfs/dbraw/zinc/51/91/93/706519193.db2.gz ALQDBKKITDVBTE-FCGDIQPGSA-N 2 0 349.519 1.820 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cccnc3)C[C@H]2CC1 ZINC000946517248 706522203 /nfs/dbraw/zinc/52/22/03/706522203.db2.gz CZBGBDFERCDLNF-CEXWTWQISA-N 2 0 342.487 1.846 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145798 706559651 /nfs/dbraw/zinc/55/96/51/706559651.db2.gz SVSVKHQZVHHNOR-AEFFLSMTSA-N 2 0 345.491 1.738 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999320445 706820525 /nfs/dbraw/zinc/82/05/25/706820525.db2.gz WLMXYXXLHUPVRR-ODIFPOPNSA-N 2 0 349.475 1.960 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000999345347 706856764 /nfs/dbraw/zinc/85/67/64/706856764.db2.gz ZVMHOGOLWUEEIY-GRTSSRMGSA-N 2 0 348.495 1.349 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)cn1 ZINC000999348265 706860302 /nfs/dbraw/zinc/86/03/02/706860302.db2.gz NCEXPUVZFYJUJR-KRWDZBQOSA-N 2 0 347.507 1.510 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999349858 706862427 /nfs/dbraw/zinc/86/24/27/706862427.db2.gz VMXLODJFVAWRDR-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)nn1C ZINC000999398035 706892524 /nfs/dbraw/zinc/89/25/24/706892524.db2.gz BBDUTQRSTVDNJP-AEFFLSMTSA-N 2 0 347.507 1.684 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999402183 706910357 /nfs/dbraw/zinc/91/03/57/706910357.db2.gz FOBPUHBVZJHBLG-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)ccn1 ZINC000999407375 706916957 /nfs/dbraw/zinc/91/69/57/706916957.db2.gz UNROHSXLGREPMI-OOHWJJMZSA-N 2 0 346.475 1.654 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)[nH]1 ZINC000999407730 706917623 /nfs/dbraw/zinc/91/76/23/706917623.db2.gz FIKSQJVXHDQQQT-GRTSSRMGSA-N 2 0 348.495 1.485 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999510751 707009023 /nfs/dbraw/zinc/00/90/23/707009023.db2.gz LXUIYRMMDAAXRU-RBUKOAKNSA-N 2 0 345.487 1.744 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)cn1 ZINC000999599008 707101448 /nfs/dbraw/zinc/10/14/48/707101448.db2.gz PFPUDGPSOIIIDN-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946689531 707121371 /nfs/dbraw/zinc/12/13/71/707121371.db2.gz DZYBCLLUPSLVKZ-FNYPPERVSA-N 2 0 333.476 1.040 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999607737 707121481 /nfs/dbraw/zinc/12/14/81/707121481.db2.gz FCVHDUVMRFXIPB-ZBFHGGJFSA-N 2 0 328.416 1.565 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1 ZINC000999703324 707234219 /nfs/dbraw/zinc/23/42/19/707234219.db2.gz DVCWOTOIUKOJBI-RDJZCZTQSA-N 2 0 342.443 1.955 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnn(C)c3)C[C@H]2CC1)[NH+](C)C ZINC000946784775 707315267 /nfs/dbraw/zinc/31/52/67/707315267.db2.gz TUOSUJDPAJOBNX-KSZLIROESA-N 2 0 347.507 1.431 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC000999832338 707463241 /nfs/dbraw/zinc/46/32/41/707463241.db2.gz GAQWFGLUFDYNSL-UHFFFAOYSA-N 2 0 334.468 1.103 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000999836285 707471590 /nfs/dbraw/zinc/47/15/90/707471590.db2.gz JBUFCYZQGIIOGM-QQFBHYJXSA-N 2 0 332.448 1.121 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C)nn2)C1 ZINC000999962302 707625978 /nfs/dbraw/zinc/62/59/78/707625978.db2.gz LKBORRNAIASBJQ-DLBZAZTESA-N 2 0 348.495 1.281 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999986283 707657360 /nfs/dbraw/zinc/65/73/60/707657360.db2.gz HBTVCWNBSUEQSF-DJIMGWMZSA-N 2 0 348.495 1.137 20 0 EDADRP CCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@H]3CCC[NH+]3C(C)C)nn2)C1 ZINC000999992102 707668606 /nfs/dbraw/zinc/66/86/06/707668606.db2.gz OPMCCFRLAAGSPJ-IAGOWNOFSA-N 2 0 348.495 1.424 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001033396106 707734624 /nfs/dbraw/zinc/73/46/24/707734624.db2.gz LSZAKDGDPKWECW-ZWKOTPCHSA-N 2 0 337.508 1.676 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CC[C@H](C)C3)C2)c1 ZINC001000194467 707831175 /nfs/dbraw/zinc/83/11/75/707831175.db2.gz VPWGWHFHCVMROO-YJBOKZPZSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001033422033 707835865 /nfs/dbraw/zinc/83/58/65/707835865.db2.gz FAVSMWMGGVUBDP-WMZOPIPTSA-N 2 0 347.507 1.517 20 0 EDADRP CN(C(=O)[C@H]1C[NH+](C)C[C@@H]1c1ccccc1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033440668 707869885 /nfs/dbraw/zinc/86/98/85/707869885.db2.gz SDXZXFAQYIVRIA-QRVBRYPASA-N 2 0 345.487 1.247 20 0 EDADRP C[C@@H]([NH2+]Cc1nccs1)[C@@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009774 707927011 /nfs/dbraw/zinc/92/70/11/707927011.db2.gz OHPLMEIZOVRECJ-KGLIPLIRSA-N 2 0 333.461 1.899 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1=CC[NH+](Cc2cccnc2)CC1 ZINC001001152190 708108084 /nfs/dbraw/zinc/10/80/84/708108084.db2.gz POCRRKOPGVJCAP-MAUKXSAKSA-N 2 0 328.460 1.528 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001005178457 708120607 /nfs/dbraw/zinc/12/06/07/708120607.db2.gz IZWNXOAEOGYZBN-IBGZPJMESA-N 2 0 345.487 1.696 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001033594338 708295938 /nfs/dbraw/zinc/29/59/38/708295938.db2.gz OUNDYZUQZMJURW-SJORKVTESA-N 2 0 335.492 1.430 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033594549 708296720 /nfs/dbraw/zinc/29/67/20/708296720.db2.gz NNRBGICGCGKNGS-HUUCEWRRSA-N 2 0 336.505 1.560 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccns2)CC1 ZINC001001826567 708329170 /nfs/dbraw/zinc/32/91/70/708329170.db2.gz WPPBVNHMXDLLLZ-BBRMVZONSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001831856 708357715 /nfs/dbraw/zinc/35/77/15/708357715.db2.gz AZHPKPYOOZMYFP-AEFFLSMTSA-N 2 0 344.503 1.916 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033659254 708470755 /nfs/dbraw/zinc/47/07/55/708470755.db2.gz WOLAPFRQLAULIM-IBGZPJMESA-N 2 0 343.471 1.845 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033661466 708474148 /nfs/dbraw/zinc/47/41/48/708474148.db2.gz LMVLMFZDBNPLQV-QZTJIDSGSA-N 2 0 331.460 1.163 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033687174 708502044 /nfs/dbraw/zinc/50/20/44/708502044.db2.gz ZIMHWCCDOQFVHP-IRXDYDNUSA-N 2 0 333.480 1.290 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687215 708502898 /nfs/dbraw/zinc/50/28/98/708502898.db2.gz ZSAYHGYWNKOSFD-NVXWUHKLSA-N 2 0 333.476 1.929 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001002044077 708535017 /nfs/dbraw/zinc/53/50/17/708535017.db2.gz XUIHTELEVPSJOB-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001002120165 708633671 /nfs/dbraw/zinc/63/36/71/708633671.db2.gz HEQMUJQCKPMRPE-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000921884309 708787369 /nfs/dbraw/zinc/78/73/69/708787369.db2.gz UCCHPTGBACCZGS-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001005478015 709103899 /nfs/dbraw/zinc/10/38/99/709103899.db2.gz SXRZOHAYICCMTG-HZPDHXFCSA-N 2 0 338.496 1.048 20 0 EDADRP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001033953412 709134432 /nfs/dbraw/zinc/13/44/32/709134432.db2.gz MMUKLWXADVKVAI-QFBILLFUSA-N 2 0 347.503 1.708 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033939400 709144466 /nfs/dbraw/zinc/14/44/66/709144466.db2.gz AAPJAUGZWLTWFX-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001034042528 709292395 /nfs/dbraw/zinc/29/23/95/709292395.db2.gz PNXZLJWCVLDLEG-HZPDHXFCSA-N 2 0 349.479 1.185 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833924 709449157 /nfs/dbraw/zinc/44/91/57/709449157.db2.gz QWWSLRQHLJRYIP-SFHVURJKSA-N 2 0 346.475 1.714 20 0 EDADRP CC(C)(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001002874835 709480864 /nfs/dbraw/zinc/48/08/64/709480864.db2.gz JMZUCVUBOJTKHM-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CC[NH+]1C)C1CC1 ZINC000922062909 709534069 /nfs/dbraw/zinc/53/40/69/709534069.db2.gz BWLJBXQMTPAAKU-QZTJIDSGSA-N 2 0 330.476 1.900 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034208999 709558882 /nfs/dbraw/zinc/55/88/82/709558882.db2.gz WELXNPYIUQOPRY-QZTJIDSGSA-N 2 0 345.491 1.233 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001003011952 709783522 /nfs/dbraw/zinc/78/35/22/709783522.db2.gz UGBSCRPTLBDOBU-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](C[C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC001034339486 709801163 /nfs/dbraw/zinc/80/11/63/709801163.db2.gz GZPBATQIIFUXPJ-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC[NH+](C)CC1 ZINC000702807751 709854966 /nfs/dbraw/zinc/85/49/66/709854966.db2.gz DLXUCLJPYXKPTF-NUEKZKHPSA-N 2 0 341.496 1.534 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001003168750 710081377 /nfs/dbraw/zinc/08/13/77/710081377.db2.gz VJULIRGOAOZALY-QGZVFWFLSA-N 2 0 333.480 1.293 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034482123 710106264 /nfs/dbraw/zinc/10/62/64/710106264.db2.gz ZTNPYSMTDZMBKF-ZWKOTPCHSA-N 2 0 339.524 1.994 20 0 EDADRP Cc1ncccc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526116 710177735 /nfs/dbraw/zinc/17/77/35/710177735.db2.gz ULLBEWBFHQANFW-QZTJIDSGSA-N 2 0 330.476 1.812 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1)OC ZINC001003310416 710239260 /nfs/dbraw/zinc/23/92/60/710239260.db2.gz QIVVRWIXPOXHTO-KRWDZBQOSA-N 2 0 330.432 1.954 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034607073 710270400 /nfs/dbraw/zinc/27/04/00/710270400.db2.gz KELBNMXVFLZXRZ-ZQDZILKHSA-N 2 0 348.495 1.539 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1csnn1 ZINC001034610489 710284576 /nfs/dbraw/zinc/28/45/76/710284576.db2.gz RETYLQVECBTUAY-ABHRYQDASA-N 2 0 337.493 1.710 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CN(C)CCO3)CC2)c1 ZINC001034613819 710288967 /nfs/dbraw/zinc/28/89/67/710288967.db2.gz BYDVOASCGFKOLU-KZNAEPCWSA-N 2 0 346.475 1.238 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034643500 710319494 /nfs/dbraw/zinc/31/94/94/710319494.db2.gz XDUOQYCDMYTCEW-BZUAXINKSA-N 2 0 348.495 1.205 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)[nH]1 ZINC001034647476 710324228 /nfs/dbraw/zinc/32/42/28/710324228.db2.gz IROGMZKOECBERG-CCECPURYSA-N 2 0 348.495 1.531 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034648034 710324647 /nfs/dbraw/zinc/32/46/47/710324647.db2.gz VKMUIUDKIZECGW-MWQQHZPXSA-N 2 0 334.464 1.840 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034649193 710325803 /nfs/dbraw/zinc/32/58/03/710325803.db2.gz SDTUEHOFHFLQCY-FHWLQOOXSA-N 2 0 342.487 1.940 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034663049 710332580 /nfs/dbraw/zinc/33/25/80/710332580.db2.gz OZDKDEJZFLTIGF-KONPQCLYSA-N 2 0 337.508 1.791 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)ccn1 ZINC001003624331 710453698 /nfs/dbraw/zinc/45/36/98/710453698.db2.gz OKZVTHNSFLHRMH-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636602 710456793 /nfs/dbraw/zinc/45/67/93/710456793.db2.gz WQGXTVABAIRPMA-IUODEOHRSA-N 2 0 329.435 1.810 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC001003627618 710457827 /nfs/dbraw/zinc/45/78/27/710457827.db2.gz HKYWAYXSUYEOSJ-INIZCTEOSA-N 2 0 347.507 1.510 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003632783 710461214 /nfs/dbraw/zinc/46/12/14/710461214.db2.gz CISPRJDEQYDCSB-QAPCUYQASA-N 2 0 330.476 1.668 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005593712 710647257 /nfs/dbraw/zinc/64/72/57/710647257.db2.gz SRXQBOXMUAUPKH-KRWDZBQOSA-N 2 0 333.480 1.327 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001034688743 710745636 /nfs/dbraw/zinc/74/56/36/710745636.db2.gz BVHJTFJDTNDENV-HDJSIYSDSA-N 2 0 331.395 1.867 20 0 EDADRP Cc1nnc(CN2CCC(N(C)C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC001005662583 710875269 /nfs/dbraw/zinc/87/52/69/710875269.db2.gz HSDDEKBOSLMIHM-UHFFFAOYSA-N 2 0 347.463 1.429 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005664315 710897237 /nfs/dbraw/zinc/89/72/37/710897237.db2.gz KTYYGZKTGZSLEW-HNNXBMFYSA-N 2 0 342.443 1.907 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)C1 ZINC001034734275 710915542 /nfs/dbraw/zinc/91/55/42/710915542.db2.gz LYHWTKVRWGLBMN-JYJNAYRXSA-N 2 0 331.464 1.335 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)s1 ZINC001032946219 710927406 /nfs/dbraw/zinc/92/74/06/710927406.db2.gz UVWCJSMOBKOPJQ-LSDHHAIUSA-N 2 0 336.505 1.887 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001032960378 710969531 /nfs/dbraw/zinc/96/95/31/710969531.db2.gz ROAOEVZGBQKVEH-WMZOPIPTSA-N 2 0 349.450 1.831 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001032966430 711022037 /nfs/dbraw/zinc/02/20/37/711022037.db2.gz DPZJEUSNFIWALW-RBUKOAKNSA-N 2 0 343.471 1.844 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC001034778265 711079338 /nfs/dbraw/zinc/07/93/38/711079338.db2.gz QEPFJPRVQFSLTM-WKILWMFISA-N 2 0 346.475 1.904 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034792933 711121231 /nfs/dbraw/zinc/12/12/31/711121231.db2.gz PGDCPLCWINCOMN-JYJNAYRXSA-N 2 0 331.464 1.254 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)c(C)n1 ZINC001003978271 711153909 /nfs/dbraw/zinc/15/39/09/711153909.db2.gz DDJFFTBLLOBION-UHFFFAOYSA-N 2 0 342.487 1.875 20 0 EDADRP COc1cccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)n1 ZINC001034880970 711279856 /nfs/dbraw/zinc/27/98/56/711279856.db2.gz AGSORZLOEBBJTC-HZPDHXFCSA-N 2 0 332.448 1.265 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cc(C)ncn2)CC[N@@H+]1C ZINC001034941539 711446756 /nfs/dbraw/zinc/44/67/56/711446756.db2.gz VCEFLCKQLPHTAC-FGTMMUONSA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3c(c1)nnn3C)C2 ZINC000922386583 711447864 /nfs/dbraw/zinc/44/78/64/711447864.db2.gz GLAKQZLACWVPJD-OQIJWPOYSA-N 2 0 343.475 1.538 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1c3c(nn1C)CCC3)C2 ZINC000922387300 711450285 /nfs/dbraw/zinc/45/02/85/711450285.db2.gz UBVCNNHRXGRRPN-YSHGAJCASA-N 2 0 332.492 1.478 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000922397545 711473162 /nfs/dbraw/zinc/47/31/62/711473162.db2.gz TUFLUTGFSPHFBN-MRXNPFEDSA-N 2 0 346.475 1.663 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004149493 711563473 /nfs/dbraw/zinc/56/34/73/711563473.db2.gz JGLMNYNEIFXQJE-INIZCTEOSA-N 2 0 347.507 1.805 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004150384 711565577 /nfs/dbraw/zinc/56/55/77/711565577.db2.gz SAJVCOWFQJACFS-INIZCTEOSA-N 2 0 333.480 1.032 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([C@@H]3CCC[N@@H+]3CCCO)CC2)CC1 ZINC001004521091 711920258 /nfs/dbraw/zinc/92/02/58/711920258.db2.gz GFMRCVLGCBCNDS-SFHVURJKSA-N 2 0 337.508 1.414 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([C@@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597581 712040223 /nfs/dbraw/zinc/04/02/23/712040223.db2.gz SGROAUSAVIDMKP-WMZOPIPTSA-N 2 0 337.508 1.414 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1)[NH+](C)C ZINC000946633260 712055326 /nfs/dbraw/zinc/05/53/26/712055326.db2.gz OVCOOPAXICKYRK-UXLLHSPISA-N 2 0 349.479 1.326 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H]3CCOC3)C[C@H]2CC1)[NH+](C)C ZINC000946643038 712129977 /nfs/dbraw/zinc/12/99/77/712129977.db2.gz ZDUGAVJCNXOOGG-ZJPYXAASSA-N 2 0 337.508 1.534 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000343092832 282119856 /nfs/dbraw/zinc/11/98/56/282119856.db2.gz QRIMUDALWWSJLI-HOCLYGCPSA-N 2 0 325.522 1.614 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000173861591 231054243 /nfs/dbraw/zinc/05/42/43/231054243.db2.gz DFDQJRRMMSUEDN-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000174622371 231259545 /nfs/dbraw/zinc/25/95/45/231259545.db2.gz CMUUGOOTBRPHLF-NVXWUHKLSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371589973 282250800 /nfs/dbraw/zinc/25/08/00/282250800.db2.gz KAKAEVVLGWLROW-KZNAEPCWSA-N 2 0 331.460 1.139 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CCSC1 ZINC000333126354 282274209 /nfs/dbraw/zinc/27/42/09/282274209.db2.gz BCTPZJICZNRLMC-YXWQFLTLSA-N 2 0 326.510 1.193 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[C@H]([NH3+])[C@@H]2C)[NH+]2CCCC2)c1 ZINC000561147166 306282744 /nfs/dbraw/zinc/28/27/44/306282744.db2.gz NYEGOLXVFMOCSC-WBAXXEDZSA-N 2 0 346.475 1.963 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000561193888 306284127 /nfs/dbraw/zinc/28/41/27/306284127.db2.gz SEQQHJMSDMZZEV-WMEZAQDKSA-N 2 0 331.435 1.635 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000561193826 306284213 /nfs/dbraw/zinc/28/42/13/306284213.db2.gz KOCMEAYSXLRHRX-NXHRZFHOSA-N 2 0 346.475 1.185 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000364086243 299160187 /nfs/dbraw/zinc/16/01/87/299160187.db2.gz JHKHGHCFUNLWQD-SOUVJXGZSA-N 2 0 326.485 1.125 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333495601 295802739 /nfs/dbraw/zinc/80/27/39/295802739.db2.gz DTDGHZMVOMEBFV-AKHDSKFASA-N 2 0 342.487 1.773 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2cccnc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000562319152 306295126 /nfs/dbraw/zinc/29/51/26/306295126.db2.gz GPQFSTVZYZHFRU-FUHWJXTLSA-N 2 0 345.491 1.368 20 0 EDADRP FC(F)(F)Cn1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cn1 ZINC000350183883 539872705 /nfs/dbraw/zinc/87/27/05/539872705.db2.gz KAKLMDVJSBRYAL-UHFFFAOYSA-N 2 0 346.397 1.990 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562806950 306309742 /nfs/dbraw/zinc/30/97/42/306309742.db2.gz UKLHRBKHJBZGDN-KRWDZBQOSA-N 2 0 345.491 1.939 20 0 EDADRP CCc1cccc(OC[C@@H](O)C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000562998081 306315106 /nfs/dbraw/zinc/31/51/06/306315106.db2.gz YZEYGAQXDOJNJJ-IBGZPJMESA-N 2 0 349.519 1.604 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000412781869 304036868 /nfs/dbraw/zinc/03/68/68/304036868.db2.gz UMRFOGHDYADOTQ-SFHVURJKSA-N 2 0 347.503 1.716 20 0 EDADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000563089820 306318588 /nfs/dbraw/zinc/31/85/88/306318588.db2.gz AEHHDNNRIKPCQD-IAGOWNOFSA-N 2 0 339.443 1.939 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353835563 295883822 /nfs/dbraw/zinc/88/38/22/295883822.db2.gz MSPZZALXWOEAFR-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000563198263 306322760 /nfs/dbraw/zinc/32/27/60/306322760.db2.gz MSNNBZCKEZTELC-AWEZNQCLSA-N 2 0 344.459 1.543 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000342764271 291049602 /nfs/dbraw/zinc/04/96/02/291049602.db2.gz HARMNIPRNBGTCE-IHRRRGAJSA-N 2 0 327.469 1.140 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000412853590 304042079 /nfs/dbraw/zinc/04/20/79/304042079.db2.gz YWEAWHRSSYHQIR-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP COc1cc(F)c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000563252628 306324829 /nfs/dbraw/zinc/32/48/29/306324829.db2.gz TVPBEQMSCAOJSJ-AWEZNQCLSA-N 2 0 339.455 1.816 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCOCC1(C)C ZINC000171100493 540092130 /nfs/dbraw/zinc/09/21/30/540092130.db2.gz CSQQKBMGEWZGHZ-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785308 283098933 /nfs/dbraw/zinc/09/89/33/283098933.db2.gz RMHFMPNVWQLDKG-RTBURBONSA-N 2 0 327.472 1.931 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563563009 306339118 /nfs/dbraw/zinc/33/91/18/306339118.db2.gz FRXFFXLVEZUYSX-DLBZAZTESA-N 2 0 333.480 1.012 20 0 EDADRP COC[C@]1(CNC(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)CCC[NH2+]1 ZINC000563600883 306341286 /nfs/dbraw/zinc/34/12/86/306341286.db2.gz JHQOPAWRXFGGIC-FUHWJXTLSA-N 2 0 338.496 1.415 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCn2cccn2)CC1 ZINC000130650559 138344077 /nfs/dbraw/zinc/34/40/77/138344077.db2.gz FFOXSZQCFRYIBH-UHFFFAOYSA-N 2 0 335.496 1.299 20 0 EDADRP CN1CCN(C(=O)NCCOc2ccc(Cl)c(F)c2)[C@@H](C[NH3+])C1 ZINC000563606053 306341460 /nfs/dbraw/zinc/34/14/60/306341460.db2.gz QCSKKYUXCPZAIR-NSHDSACASA-N 2 0 344.818 1.142 20 0 EDADRP COc1ccc(CCC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1Cl ZINC000563809481 306348003 /nfs/dbraw/zinc/34/80/03/306348003.db2.gz AQWKFFVNMKUTSR-ZDUSSCGKSA-N 2 0 325.840 1.383 20 0 EDADRP CCn1ccnc1CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000564329479 306358761 /nfs/dbraw/zinc/35/87/61/306358761.db2.gz UOPKULRYDAHIKC-SJORKVTESA-N 2 0 331.508 1.847 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC12CCOCC2 ZINC000564655532 306362424 /nfs/dbraw/zinc/36/24/24/306362424.db2.gz MPXITHUCKMWWTI-YLJYHZDGSA-N 2 0 343.471 1.132 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417578873 296018367 /nfs/dbraw/zinc/01/83/67/296018367.db2.gz AYYQNHSFAFJGOK-OAHLLOKOSA-N 2 0 340.512 1.837 20 0 EDADRP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183854 304104844 /nfs/dbraw/zinc/10/48/44/304104844.db2.gz NYROXSPREKDZSR-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000566016923 306396735 /nfs/dbraw/zinc/39/67/35/306396735.db2.gz JWZBIQJCEOUIJN-KRWDZBQOSA-N 2 0 333.476 1.940 20 0 EDADRP CC(C)N1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000566091330 306398528 /nfs/dbraw/zinc/39/85/28/306398528.db2.gz YRCDZBFRGQKYKE-OGWOLHLISA-N 2 0 329.444 1.841 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)C1=CC[N@H+](C)CC1 ZINC000566132720 306399433 /nfs/dbraw/zinc/39/94/33/306399433.db2.gz ZSIFWYVZMRYDPX-DZGCQCFKSA-N 2 0 334.416 1.395 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)CC1 ZINC000414557191 304122099 /nfs/dbraw/zinc/12/20/99/304122099.db2.gz LJXJBKICLNUJKS-AZUAARDMSA-N 2 0 347.503 1.394 20 0 EDADRP COC(=O)[C@@H]1CSCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000414562368 304122715 /nfs/dbraw/zinc/12/27/15/304122715.db2.gz AVQHNSBAOFLHBU-HNNXBMFYSA-N 2 0 346.456 1.914 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@@H]1C ZINC000414697351 304128772 /nfs/dbraw/zinc/12/87/72/304128772.db2.gz HAQVVNCYPIZWSS-KBPBESRZSA-N 2 0 344.459 1.607 20 0 EDADRP CCOc1ccnc(N2CCC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)n1 ZINC000414709059 304130927 /nfs/dbraw/zinc/13/09/27/304130927.db2.gz OMNPJISPWFRHDA-JKSUJKDBSA-N 2 0 333.480 1.776 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414712101 304131288 /nfs/dbraw/zinc/13/12/88/304131288.db2.gz UPSDLSOEMWCCSK-HUUCEWRRSA-N 2 0 346.475 1.568 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000414714981 304131858 /nfs/dbraw/zinc/13/18/58/304131858.db2.gz WWGVHONJAUVSJV-GJZGRUSLSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414738987 304135314 /nfs/dbraw/zinc/13/53/14/304135314.db2.gz IODXXPPCEBVVJB-KBPBESRZSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](C)C ZINC000414758082 304137515 /nfs/dbraw/zinc/13/75/15/304137515.db2.gz BTDUIGSBRUTLDC-VIFPVBQESA-N 2 0 346.353 1.169 20 0 EDADRP COc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000414783646 304140635 /nfs/dbraw/zinc/14/06/35/304140635.db2.gz QYUITXVQHKXYKX-UHFFFAOYSA-N 2 0 329.391 1.682 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]C[C@@H](C)C[NH2+]C)CC1 ZINC000414848458 304147540 /nfs/dbraw/zinc/14/75/40/304147540.db2.gz XAWOYHIAEDFWIZ-KBPBESRZSA-N 2 0 327.469 1.012 20 0 EDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1ccc(OCC(=O)N2CCCC2)c(OC)c1 ZINC000414847435 304147544 /nfs/dbraw/zinc/14/75/44/304147544.db2.gz VVAZJFDEDAHPCB-HNNXBMFYSA-N 2 0 349.475 1.642 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000414996020 304149389 /nfs/dbraw/zinc/14/93/89/304149389.db2.gz WTXBEPDFUMSBCV-MRXNPFEDSA-N 2 0 346.475 1.677 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C(C)C ZINC000415051414 304154716 /nfs/dbraw/zinc/15/47/16/304154716.db2.gz ZKOXCSWTHQXEHD-UHFFFAOYSA-N 2 0 346.475 1.806 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000415078509 304158145 /nfs/dbraw/zinc/15/81/45/304158145.db2.gz GOIIKFQBKCYTNQ-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP O=C(CN1CCC([NH2+]CC2CC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000415089835 304158836 /nfs/dbraw/zinc/15/88/36/304158836.db2.gz YFWBFDXWJUJNDV-UHFFFAOYSA-N 2 0 330.476 1.679 20 0 EDADRP CCOc1cc(CN(C)CC[NH3+])ccc1OCC(=O)N1CCCCC1 ZINC000415101828 304160107 /nfs/dbraw/zinc/16/01/07/304160107.db2.gz CVUAAGCDFVIQRA-UHFFFAOYSA-N 2 0 349.475 1.867 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(Cl)c2Cl)CC1 ZINC000567261635 306444748 /nfs/dbraw/zinc/44/47/48/306444748.db2.gz AZSHJBHFNVHRKR-CYBMUJFWSA-N 2 0 332.275 1.691 20 0 EDADRP COc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143574 304164427 /nfs/dbraw/zinc/16/44/27/304164427.db2.gz SWJHXKJZJCFXIW-DLBZAZTESA-N 2 0 344.459 1.415 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@@H](O)C1 ZINC000227070278 139022297 /nfs/dbraw/zinc/02/22/97/139022297.db2.gz MCYCOWMTKXNQQT-VQIMIIECSA-N 2 0 345.487 1.612 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000236922696 139035350 /nfs/dbraw/zinc/03/53/50/139035350.db2.gz OCBFLSFBFKTBGX-CYBMUJFWSA-N 2 0 337.493 1.574 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000237098155 139040532 /nfs/dbraw/zinc/04/05/32/139040532.db2.gz PUFUDFUIRXXKOV-MRXNPFEDSA-N 2 0 344.459 1.905 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)C[C@H]3CSCC[NH2+]3)c2)CC1 ZINC000237219529 139044826 /nfs/dbraw/zinc/04/48/26/139044826.db2.gz MXUWLGNQUBWMKQ-KRWDZBQOSA-N 2 0 348.516 1.468 20 0 EDADRP CN(C(=O)[C@@H]1CC[C@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000237287123 139046606 /nfs/dbraw/zinc/04/66/06/139046606.db2.gz QRHYCGBPJIYWGY-CVEARBPZSA-N 2 0 330.476 1.674 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000237336143 139048382 /nfs/dbraw/zinc/04/83/82/139048382.db2.gz RTMFWMMBEJMQRQ-MSOLQXFVSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]([NH3+])C(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000237465630 139051993 /nfs/dbraw/zinc/05/19/93/139051993.db2.gz OOZVMBRUBXUCHI-LLVKDONJSA-N 2 0 344.381 1.421 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000237483712 139052166 /nfs/dbraw/zinc/05/21/66/139052166.db2.gz RTMFWMMBEJMQRQ-ZWKOTPCHSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000237604125 139055377 /nfs/dbraw/zinc/05/53/77/139055377.db2.gz GIEQSCLPEKMWRW-FCEWJHQRSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000237889509 139062818 /nfs/dbraw/zinc/06/28/18/139062818.db2.gz CDMQPYJTKCRZMX-SFHVURJKSA-N 2 0 331.460 1.490 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237910134 139063491 /nfs/dbraw/zinc/06/34/91/139063491.db2.gz KCDPQOBIOAOTJG-PKOBYXMFSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000238055766 139067813 /nfs/dbraw/zinc/06/78/13/139067813.db2.gz QNHBVDWZVRCEFZ-SFHVURJKSA-N 2 0 331.460 1.667 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000111866207 220213621 /nfs/dbraw/zinc/21/36/21/220213621.db2.gz PYKSDXKOVNOHIL-INIZCTEOSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000415283179 304184918 /nfs/dbraw/zinc/18/49/18/304184918.db2.gz SBUPLYFYCAWTRK-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2CCCC3)C1 ZINC000357253961 284643694 /nfs/dbraw/zinc/64/36/94/284643694.db2.gz XRIKAFZXLAZGBH-ZHALLVOQSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)[C@H](C)C2)C1 ZINC000248666687 139170844 /nfs/dbraw/zinc/17/08/44/139170844.db2.gz WUJNTKJQODMSGQ-BRWVUGGUSA-N 2 0 340.512 1.061 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000415433124 304219274 /nfs/dbraw/zinc/21/92/74/304219274.db2.gz VFCSRKAPDROWDN-HNNXBMFYSA-N 2 0 334.464 1.219 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000568994566 306494392 /nfs/dbraw/zinc/49/43/92/306494392.db2.gz AMKOXJJMCVRFFA-SCLBCKFNSA-N 2 0 348.466 1.882 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CCCCC1 ZINC000261604680 139210137 /nfs/dbraw/zinc/21/01/37/139210137.db2.gz CKEOIENEXOJHDX-SPYBWZPUSA-N 2 0 337.508 1.900 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415450855 304221644 /nfs/dbraw/zinc/22/16/44/304221644.db2.gz WRXPKAYMMWKLMT-HOTGVXAUSA-N 2 0 332.448 1.274 20 0 EDADRP CCn1nc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c2ccccc21 ZINC000261779428 139225414 /nfs/dbraw/zinc/22/54/14/139225414.db2.gz XTXVNRHNRPHRPO-CQSZACIVSA-N 2 0 329.448 1.343 20 0 EDADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261788512 139226171 /nfs/dbraw/zinc/22/61/71/139226171.db2.gz YONQUYCFTKHICH-WMZOPIPTSA-N 2 0 330.476 1.186 20 0 EDADRP [NH3+]C1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CCOCC1 ZINC000261892326 139234536 /nfs/dbraw/zinc/23/45/36/139234536.db2.gz QQKVZNFQPQGMHO-UHFFFAOYSA-N 2 0 347.459 1.337 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C[C@]3(C)CC[NH2+]C3)CC2)C1 ZINC000261874112 139233091 /nfs/dbraw/zinc/23/30/91/139233091.db2.gz PMROSHZVTRVLCX-ZHALLVOQSA-N 2 0 336.524 1.108 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@@H]3C[NH3+])cn2)CC1 ZINC000261908239 139235892 /nfs/dbraw/zinc/23/58/92/139235892.db2.gz XDORWSBBCHMFDL-IAGOWNOFSA-N 2 0 345.491 1.215 20 0 EDADRP c1cc2c(cc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1)OCCO2 ZINC000261943159 139238922 /nfs/dbraw/zinc/23/89/22/139238922.db2.gz NCFNFAOOSKRCCV-BRWVUGGUSA-N 2 0 332.444 1.747 20 0 EDADRP COc1ccc(CCC(=O)N2CCN(C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261953914 139239655 /nfs/dbraw/zinc/23/96/55/139239655.db2.gz GHYZLVPQSJUUQW-HXUWFJFHSA-N 2 0 345.487 1.772 20 0 EDADRP C[C@H]([NH3+])CC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000261937658 139238479 /nfs/dbraw/zinc/23/84/79/139238479.db2.gz ZTDLGUGPYXKJRH-HNNXBMFYSA-N 2 0 334.464 1.013 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2cccc(Cl)c2)C1 ZINC000261959566 139240047 /nfs/dbraw/zinc/24/00/47/139240047.db2.gz OMMVKHMISUEZBI-CYBMUJFWSA-N 2 0 325.840 1.506 20 0 EDADRP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262066538 139248071 /nfs/dbraw/zinc/24/80/71/139248071.db2.gz BEUVYLKONPEOIS-IBGZPJMESA-N 2 0 325.460 1.660 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354713199 296310668 /nfs/dbraw/zinc/31/06/68/296310668.db2.gz QKHBYHTZBYNPPV-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414909458 250886303 /nfs/dbraw/zinc/88/63/03/250886303.db2.gz RFSMBGHGLULJOB-OAHLLOKOSA-N 2 0 332.448 1.287 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000569259241 306501438 /nfs/dbraw/zinc/50/14/38/306501438.db2.gz WWICZUYHRRZDFN-RYUDHWBXSA-N 2 0 349.859 1.617 20 0 EDADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000262137133 139254130 /nfs/dbraw/zinc/25/41/30/139254130.db2.gz OXOCSPDPTJDPSQ-SLEUVZQESA-N 2 0 325.840 1.535 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1 ZINC000262160764 139256265 /nfs/dbraw/zinc/25/62/65/139256265.db2.gz USRCTLHMTWRRCY-SFHVURJKSA-N 2 0 337.464 1.769 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000415539685 250994521 /nfs/dbraw/zinc/99/45/21/250994521.db2.gz KMLFFVCFYBNOMO-DZGCQCFKSA-N 2 0 332.448 1.191 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000415554868 251008068 /nfs/dbraw/zinc/00/80/68/251008068.db2.gz BKYKLXIUKDFDAY-AWEZNQCLSA-N 2 0 326.391 1.909 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000415571567 304228010 /nfs/dbraw/zinc/22/80/10/304228010.db2.gz MSRWGAPRPZEAAN-GDBMZVCRSA-N 2 0 346.475 1.663 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416009530 251046826 /nfs/dbraw/zinc/04/68/26/251046826.db2.gz PIQJOTHDJMBFFF-NEPJUHHUSA-N 2 0 340.390 1.018 20 0 EDADRP Cc1ccc(C(=O)C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000262271615 139265507 /nfs/dbraw/zinc/26/55/07/139265507.db2.gz YLQXMBHKQHYDIN-UHFFFAOYSA-N 2 0 343.471 1.712 20 0 EDADRP C[C@H]1OCCN[C@@H]1C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262266165 139264974 /nfs/dbraw/zinc/26/49/74/139264974.db2.gz MPEJKPNCIHSLTP-ISARSNTHSA-N 2 0 345.487 1.875 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000416831125 251113054 /nfs/dbraw/zinc/11/30/54/251113054.db2.gz SBMWKIMDDJFQRV-ZIAGYGMSSA-N 2 0 336.436 1.049 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000416989912 251119792 /nfs/dbraw/zinc/11/97/92/251119792.db2.gz MQAOFAZZBXCDQZ-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP CC[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417007179 251128892 /nfs/dbraw/zinc/12/88/92/251128892.db2.gz GVBOKAGKOXUKDK-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000417021061 251136328 /nfs/dbraw/zinc/13/63/28/251136328.db2.gz JTODVOZJMJCJRO-CEXWTWQISA-N 2 0 342.487 1.814 20 0 EDADRP CC[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417005913 251126308 /nfs/dbraw/zinc/12/63/08/251126308.db2.gz FBFRYRFATFLEEE-OTWHNJEPSA-N 2 0 342.487 1.684 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C[NH3+])C[C@H]2C)CC1 ZINC000417535396 251185433 /nfs/dbraw/zinc/18/54/33/251185433.db2.gz BSLIZDFWHFQGLW-KGLIPLIRSA-N 2 0 326.485 1.255 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417549603 251187687 /nfs/dbraw/zinc/18/76/87/251187687.db2.gz UBLBRYKDHQULAR-LSDHHAIUSA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580780 251196239 /nfs/dbraw/zinc/19/62/39/251196239.db2.gz GBLGBMSSEVKPCO-HNNXBMFYSA-N 2 0 340.512 1.837 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417584131 251198061 /nfs/dbraw/zinc/19/80/61/251198061.db2.gz AWZBZAISEQFXCI-OAHLLOKOSA-N 2 0 334.464 1.555 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)C1 ZINC000417667652 251220534 /nfs/dbraw/zinc/22/05/34/251220534.db2.gz HBUXNCOIKUUDSV-VQHPVUNQSA-N 2 0 338.496 1.127 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)[C@@H](C)C1 ZINC000417664137 251218524 /nfs/dbraw/zinc/21/85/24/251218524.db2.gz ATHNDMYXFFWAPF-LTIDMASMSA-N 2 0 340.512 1.421 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000417666963 251221641 /nfs/dbraw/zinc/22/16/41/251221641.db2.gz FGUXHURVKJXVSV-ZACQAIPSSA-N 2 0 340.512 1.422 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[C@@H](C)C1 ZINC000417668239 251221667 /nfs/dbraw/zinc/22/16/67/251221667.db2.gz IYEMXLFTJZOKKJ-HZMVEIRTSA-N 2 0 340.512 1.550 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]([NH2+]C)C2)[C@H](C)C1 ZINC000417672329 251222975 /nfs/dbraw/zinc/22/29/75/251222975.db2.gz SNVTZDJLMTWSOO-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)n(C)n1 ZINC000417762220 251259289 /nfs/dbraw/zinc/25/92/89/251259289.db2.gz SZEJIUGZXNVIJU-UHFFFAOYSA-N 2 0 349.523 1.645 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCSC1 ZINC000417836019 251289577 /nfs/dbraw/zinc/28/95/77/251289577.db2.gz UKXKEMKZGXUGOO-MRXNPFEDSA-N 2 0 326.510 1.209 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CCSC1 ZINC000417839446 251293802 /nfs/dbraw/zinc/29/38/02/251293802.db2.gz WNNQAZBXDIWNKO-IJEWVQPXSA-N 2 0 326.510 1.065 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)ccc21 ZINC000417844656 251294965 /nfs/dbraw/zinc/29/49/65/251294965.db2.gz WWAAWVLBLQMINJ-OAHLLOKOSA-N 2 0 336.386 1.717 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000417786989 251269738 /nfs/dbraw/zinc/26/97/38/251269738.db2.gz FKAWCHUPRVQQSN-OKZBNKHCSA-N 2 0 334.508 1.938 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC([NH2+]CC3CC3)CC2)CCSC1 ZINC000417823724 251284025 /nfs/dbraw/zinc/28/40/25/251284025.db2.gz JYGLIDBIFHMOGH-KRWDZBQOSA-N 2 0 340.537 1.597 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000417860120 251300873 /nfs/dbraw/zinc/30/08/73/251300873.db2.gz XRXIXWONFNNXPY-INIZCTEOSA-N 2 0 334.464 1.180 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418445813 251372488 /nfs/dbraw/zinc/37/24/88/251372488.db2.gz YIDNUQSHHCVULF-IRXDYDNUSA-N 2 0 348.491 1.957 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000418321802 251359850 /nfs/dbraw/zinc/35/98/50/251359850.db2.gz CSDWNCAOZLAZRD-AEFFLSMTSA-N 2 0 334.464 1.176 20 0 EDADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)N[C@H](CC[NH3+])C(F)F)CC1 ZINC000418722474 251396911 /nfs/dbraw/zinc/39/69/11/251396911.db2.gz YBZWVYHXFMDLNQ-CQSZACIVSA-N 2 0 344.406 1.868 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418719199 251397148 /nfs/dbraw/zinc/39/71/48/251397148.db2.gz USURHQOVXJWCKO-AWEZNQCLSA-N 2 0 346.397 1.881 20 0 EDADRP C[C@@H](C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000262665407 139294658 /nfs/dbraw/zinc/29/46/58/139294658.db2.gz JJMQLYBJJWAQBK-HPFXQQBRSA-N 2 0 333.476 1.938 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262794562 139304085 /nfs/dbraw/zinc/30/40/85/139304085.db2.gz NHHFDBCODKAWLH-OAHLLOKOSA-N 2 0 334.464 1.379 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422876939 252007915 /nfs/dbraw/zinc/00/79/15/252007915.db2.gz GUMHRBWJZGUKEO-TVFCKZIOSA-N 2 0 336.524 1.439 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422896278 252015643 /nfs/dbraw/zinc/01/56/43/252015643.db2.gz IBGNQWYZJRYSNP-RBUKOAKNSA-N 2 0 333.476 1.484 20 0 EDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000422852962 252001171 /nfs/dbraw/zinc/00/11/71/252001171.db2.gz YLAZKBXFKMRJKJ-PBHICJAKSA-N 2 0 339.505 1.206 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH3+])c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423346912 252047063 /nfs/dbraw/zinc/04/70/63/252047063.db2.gz ZJJRZTHSCFQSFV-CQSZACIVSA-N 2 0 341.477 1.097 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423785742 252072459 /nfs/dbraw/zinc/07/24/59/252072459.db2.gz ABSMWQCWRDHZCF-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP COc1cccc2c1nc(NC(=O)CCC[NH+]1CCC([NH3+])CC1)n2C ZINC000423796862 252079971 /nfs/dbraw/zinc/07/99/71/252079971.db2.gz NKAFUFVKQZENNG-UHFFFAOYSA-N 2 0 345.447 1.724 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000424218195 252165344 /nfs/dbraw/zinc/16/53/44/252165344.db2.gz RHJAUWUFBFTXHR-HZPDHXFCSA-N 2 0 325.497 1.581 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000262929652 139313362 /nfs/dbraw/zinc/31/33/62/139313362.db2.gz SOFIPSNKRKDKTG-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424227502 252171764 /nfs/dbraw/zinc/17/17/64/252171764.db2.gz USIIABSOQZEBBU-IBGZPJMESA-N 2 0 339.443 1.524 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424375507 252202600 /nfs/dbraw/zinc/20/26/00/252202600.db2.gz KGEVUAKMCNHJCD-JQHSSLGASA-N 2 0 333.476 1.467 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000424415108 252220011 /nfs/dbraw/zinc/22/00/11/252220011.db2.gz ITLAMYBBNPTXAG-LLVKDONJSA-N 2 0 340.390 1.018 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)c1 ZINC000424436341 252230195 /nfs/dbraw/zinc/23/01/95/252230195.db2.gz JUPRLGZOGYDYNP-SFHVURJKSA-N 2 0 347.507 1.847 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000424443998 252232858 /nfs/dbraw/zinc/23/28/58/252232858.db2.gz YRUAQRNFGULCRP-CVEARBPZSA-N 2 0 330.432 1.135 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000424441477 252233447 /nfs/dbraw/zinc/23/34/47/252233447.db2.gz SXYVKBADQUXOFE-AWEZNQCLSA-N 2 0 332.448 1.383 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000424479921 252247721 /nfs/dbraw/zinc/24/77/21/252247721.db2.gz PMROFVAHWFQJNH-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C(C)(C)C ZINC000458409969 254918944 /nfs/dbraw/zinc/91/89/44/254918944.db2.gz MSQZULGUQAXDCB-CVEARBPZSA-N 2 0 342.528 1.499 20 0 EDADRP CC[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C)[NH+](CC)CC ZINC000488880045 255058275 /nfs/dbraw/zinc/05/82/75/255058275.db2.gz LFSXPMLMXVLYTN-RDJZCZTQSA-N 2 0 325.497 1.819 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)nn1 ZINC000339655965 285250232 /nfs/dbraw/zinc/25/02/32/285250232.db2.gz YJTWGFXUWYLWJQ-OAHLLOKOSA-N 2 0 336.484 1.347 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000570394323 306540320 /nfs/dbraw/zinc/54/03/20/306540320.db2.gz AHLKYMNXEBSXOD-TZMCWYRMSA-N 2 0 325.403 1.853 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000494645075 255256211 /nfs/dbraw/zinc/25/62/11/255256211.db2.gz FGVNYYRXZLEWLA-QGZVFWFLSA-N 2 0 333.476 1.818 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331186045 285264510 /nfs/dbraw/zinc/26/45/10/285264510.db2.gz JGVLPJPBMMXPGY-MRXNPFEDSA-N 2 0 339.505 1.758 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH3+])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496147147 255357222 /nfs/dbraw/zinc/35/72/22/255357222.db2.gz ODSVXFAXQGDLSU-NVXWUHKLSA-N 2 0 335.448 1.741 20 0 EDADRP COC(=O)NCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000496453627 255392937 /nfs/dbraw/zinc/39/29/37/255392937.db2.gz KZBHCHXYPNBDHF-UHFFFAOYSA-N 2 0 333.436 1.121 20 0 EDADRP CCN(C)CC[NH2+][C@@H]1CCOC[C@H]1[C@H](C)NC(=O)OC(C)(C)C ZINC000496272721 255373431 /nfs/dbraw/zinc/37/34/31/255373431.db2.gz IHVLCZOTSNTVQK-SOUVJXGZSA-N 2 0 329.485 1.846 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000155200472 224376211 /nfs/dbraw/zinc/37/62/11/224376211.db2.gz OMKOLQBQHOFBRU-GOEBONIOSA-N 2 0 334.464 1.577 20 0 EDADRP C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000415842602 304280014 /nfs/dbraw/zinc/28/00/14/304280014.db2.gz HNSMMYIHSHRDJI-GOEBONIOSA-N 2 0 346.475 1.173 20 0 EDADRP C[C@@H](CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)[NH+](C)C1CC1 ZINC000264278132 139392908 /nfs/dbraw/zinc/39/29/08/139392908.db2.gz QWFGVEDFLBQFHO-HNNXBMFYSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000264309097 139395895 /nfs/dbraw/zinc/39/58/95/139395895.db2.gz ZLUUCFBWDZDXNO-FUHWJXTLSA-N 2 0 336.476 1.451 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000415925935 304285907 /nfs/dbraw/zinc/28/59/07/304285907.db2.gz BTBBIPPDEQNUQW-UHFFFAOYSA-N 2 0 335.496 1.753 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)[C@@H](C)N2CCOCC2)CC[NH2+]CC1 ZINC000422745102 285665160 /nfs/dbraw/zinc/66/51/60/285665160.db2.gz UNJWQFFHFSNXKF-XHSDSOJGSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)C[N@@H+]1C1CC1 ZINC000333137063 141270361 /nfs/dbraw/zinc/27/03/61/141270361.db2.gz CNHWULHPDLEUKC-ORBLRFAASA-N 2 0 349.523 1.127 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC[NH2+]1 ZINC000333140657 141270643 /nfs/dbraw/zinc/27/06/43/141270643.db2.gz KVXWHUZKVCHGTL-KFWWJZLASA-N 2 0 329.452 1.023 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000333489777 141325823 /nfs/dbraw/zinc/32/58/23/141325823.db2.gz DDCPQUAQASPUFU-KNCCTNLNSA-N 2 0 346.475 1.533 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000333639125 141348967 /nfs/dbraw/zinc/34/89/67/141348967.db2.gz UFZYVNNABMHGLU-IRXDYDNUSA-N 2 0 338.496 1.543 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333854088 141395217 /nfs/dbraw/zinc/39/52/17/141395217.db2.gz OEBICKNRAWJCQQ-RYQLBKOJSA-N 2 0 337.508 1.852 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)C(C)C ZINC000339610819 142092912 /nfs/dbraw/zinc/09/29/12/142092912.db2.gz HMXJDIXEAUSIHD-CVEARBPZSA-N 2 0 340.512 1.066 20 0 EDADRP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000370122606 304319421 /nfs/dbraw/zinc/31/94/21/304319421.db2.gz OGRFJUFVTBYGLU-MJGOQNOKSA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851170 142177369 /nfs/dbraw/zinc/17/73/69/142177369.db2.gz TXMQMFJKKWDHAE-IRXDYDNUSA-N 2 0 341.544 1.288 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000340213602 142305761 /nfs/dbraw/zinc/30/57/61/142305761.db2.gz JEOPMELABFMERI-INIZCTEOSA-N 2 0 340.512 1.025 20 0 EDADRP CC1CC[NH+](C2CCC(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000344720189 143002759 /nfs/dbraw/zinc/00/27/59/143002759.db2.gz HHVCOLLGMWTKIP-CTWPCTMYSA-N 2 0 348.535 1.536 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000345321759 143077652 /nfs/dbraw/zinc/07/76/52/143077652.db2.gz PYCRIMPXKJODAZ-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@@H](C)O1 ZINC000345695877 143122483 /nfs/dbraw/zinc/12/24/83/143122483.db2.gz QGJNJXHISDJMOO-CBZIJGRNSA-N 2 0 325.497 1.900 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCOC[C@H]1C ZINC000345719275 143125355 /nfs/dbraw/zinc/12/53/55/143125355.db2.gz BPPFYDWUUVYVLU-ZACQAIPSSA-N 2 0 325.497 1.534 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]1CCCC1 ZINC000345782536 143132966 /nfs/dbraw/zinc/13/29/66/143132966.db2.gz YZSNIUGENUQWKW-KBPBESRZSA-N 2 0 341.402 1.931 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000345800682 143134972 /nfs/dbraw/zinc/13/49/72/143134972.db2.gz YEBGQLYTVGKEEE-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000345846879 143139254 /nfs/dbraw/zinc/13/92/54/143139254.db2.gz ASAHRSDPVYFXJJ-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000346876624 143254757 /nfs/dbraw/zinc/25/47/57/143254757.db2.gz QMOINLVJMYKXSN-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000347046898 143276010 /nfs/dbraw/zinc/27/60/10/143276010.db2.gz PZSRDONISHUIBJ-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(Cl)c1 ZINC000347110660 143283723 /nfs/dbraw/zinc/28/37/23/143283723.db2.gz PONLFWDMTHFKAG-ZDUSSCGKSA-N 2 0 325.840 1.636 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1OC ZINC000347123089 143285103 /nfs/dbraw/zinc/28/51/03/143285103.db2.gz WTGVMUXTBMGZQT-INIZCTEOSA-N 2 0 347.459 1.348 20 0 EDADRP CCOC(=O)COCC[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000347755752 143358623 /nfs/dbraw/zinc/35/86/23/143358623.db2.gz XRMBFAWFBCWYRY-HOTGVXAUSA-N 2 0 342.480 1.387 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cn1C ZINC000347792291 143363767 /nfs/dbraw/zinc/36/37/67/143363767.db2.gz WHRFFHTXLBMIMT-CQSZACIVSA-N 2 0 337.464 1.336 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cn1C ZINC000347919733 143379253 /nfs/dbraw/zinc/37/92/53/143379253.db2.gz KNCLSGCLUSEBQF-KRWDZBQOSA-N 2 0 336.480 1.173 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1c(C)nn(C)c1C ZINC000347988888 143387986 /nfs/dbraw/zinc/38/79/86/143387986.db2.gz CDYRZLPXKHDCFD-KRWDZBQOSA-N 2 0 347.507 1.821 20 0 EDADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000348033326 143394054 /nfs/dbraw/zinc/39/40/54/143394054.db2.gz YRKVRMAIEPYDMZ-SFHVURJKSA-N 2 0 332.448 1.137 20 0 EDADRP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572615236 306595256 /nfs/dbraw/zinc/59/52/56/306595256.db2.gz UXGFWJIKLOJHEU-SJORKVTESA-N 2 0 337.533 1.901 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000416819352 304349942 /nfs/dbraw/zinc/34/99/42/304349942.db2.gz RWTLVJXTMZXJRM-CVEARBPZSA-N 2 0 349.479 1.009 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000416857093 304352046 /nfs/dbraw/zinc/35/20/46/304352046.db2.gz XRRCNJSQQGYOST-RDJZCZTQSA-N 2 0 346.475 1.883 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC2C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000416861197 304352797 /nfs/dbraw/zinc/35/27/97/304352797.db2.gz WUDXGCPNVZSKTO-KRWDZBQOSA-N 2 0 332.448 1.351 20 0 EDADRP CO[C@H](C)c1noc(CN2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000369908073 155225893 /nfs/dbraw/zinc/22/58/93/155225893.db2.gz JDGSOZAEOOZCII-UONOGXRCSA-N 2 0 337.468 1.377 20 0 EDADRP Cc1cccc(NC(=O)[C@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000352785502 149164801 /nfs/dbraw/zinc/16/48/01/149164801.db2.gz ZPYYBPNPQVBMPB-KRWDZBQOSA-N 2 0 332.492 1.891 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393111 149389272 /nfs/dbraw/zinc/38/92/72/149389272.db2.gz FUXMHTYBZXVRGT-DOTOQJQBSA-N 2 0 334.439 1.964 20 0 EDADRP C[NH2+]CCNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416964217 304356278 /nfs/dbraw/zinc/35/62/78/304356278.db2.gz CBLOPNKMPGVTES-GASCZTMLSA-N 2 0 334.464 1.314 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000416971934 304357877 /nfs/dbraw/zinc/35/78/77/304357877.db2.gz QXNJAUDBTOAXJP-GOSISDBHSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416971987 304357923 /nfs/dbraw/zinc/35/79/23/304357923.db2.gz FHFJMQZUTNRMPB-YOEHRIQHSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000416972839 304358127 /nfs/dbraw/zinc/35/81/27/304358127.db2.gz ISZBPNIJVXLRAS-YJBOKZPZSA-N 2 0 330.476 1.682 20 0 EDADRP c1cnn(CC[N@@H+]2CCC3(C2)CC[NH+](CCn2cccn2)CC3)c1 ZINC000369948119 155249023 /nfs/dbraw/zinc/24/90/23/155249023.db2.gz KGJQFVIRMRHAKH-UHFFFAOYSA-N 2 0 328.464 1.568 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]1CCCO)c1ccccc1 ZINC000354866712 150002817 /nfs/dbraw/zinc/00/28/17/150002817.db2.gz XCURPUGLEMGXJD-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417027671 304362249 /nfs/dbraw/zinc/36/22/49/304362249.db2.gz UFSXLLSNCLLIRW-ROUUACIJSA-N 2 0 347.507 1.402 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000417029393 304362543 /nfs/dbraw/zinc/36/25/43/304362543.db2.gz VPCLWXHRGBMXRJ-SFHVURJKSA-N 2 0 345.491 1.235 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@H](C)C1 ZINC000355499259 150293930 /nfs/dbraw/zinc/29/39/30/150293930.db2.gz FOBZVGUEWKIAKV-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000355553664 150310767 /nfs/dbraw/zinc/31/07/67/150310767.db2.gz LLADVSDMVGJOFH-OTWHNJEPSA-N 2 0 347.503 1.905 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000417033792 304363654 /nfs/dbraw/zinc/36/36/54/304363654.db2.gz FRMRQAFBVGGUFM-OWCLPIDISA-N 2 0 326.485 1.032 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000417040333 304364869 /nfs/dbraw/zinc/36/48/69/304364869.db2.gz KOQOWFFBSVDTSA-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP COCC1(CNC(=O)N2CCC[N@@H+](C(C)C)CC2)CC[NH2+]CC1 ZINC000333641992 292237837 /nfs/dbraw/zinc/23/78/37/292237837.db2.gz IKROHMIYLZFPKW-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000357632654 151093053 /nfs/dbraw/zinc/09/30/53/151093053.db2.gz CBBNVPIAZIVYQH-UHFFFAOYSA-N 2 0 342.553 1.987 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000357809016 151156908 /nfs/dbraw/zinc/15/69/08/151156908.db2.gz RPNVJPPDIFJVFJ-HOTGVXAUSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@H]1COCC[C@@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357825457 151163064 /nfs/dbraw/zinc/16/30/64/151163064.db2.gz VZFJCGUAYSREQN-DLBZAZTESA-N 2 0 342.528 1.574 20 0 EDADRP O=C(C1CCC1)N1CCN(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000358140954 151285585 /nfs/dbraw/zinc/28/55/85/151285585.db2.gz OLLJMEYTQOWDRF-ROUUACIJSA-N 2 0 334.508 1.147 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153365 151289062 /nfs/dbraw/zinc/28/90/62/151289062.db2.gz IIDAQUANBRFQPQ-NEWSRXKRSA-N 2 0 339.524 1.576 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CCOC)[C@@H](CC)C1 ZINC000358275033 151323868 /nfs/dbraw/zinc/32/38/68/151323868.db2.gz MPLLSYSZFWQQDN-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@H](C)C1 ZINC000358327617 151338192 /nfs/dbraw/zinc/33/81/92/151338192.db2.gz JPYUWLCTGFMDOC-SJORKVTESA-N 2 0 328.497 1.502 20 0 EDADRP CN(CCCOc1ccccc1)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358505594 151398830 /nfs/dbraw/zinc/39/88/30/151398830.db2.gz KJVPFGRFGQXPDY-UHFFFAOYSA-N 2 0 345.487 1.989 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000370063856 155308893 /nfs/dbraw/zinc/30/88/93/155308893.db2.gz FHQSGMPISQDWQS-DOTOQJQBSA-N 2 0 336.480 1.119 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360657642 152142208 /nfs/dbraw/zinc/14/22/08/152142208.db2.gz OTVROXJSMLLSMZ-INMHGKMJSA-N 2 0 342.553 1.986 20 0 EDADRP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000360686990 152153212 /nfs/dbraw/zinc/15/32/12/152153212.db2.gz ANJMZEXIDODGBE-RBUKOAKNSA-N 2 0 341.540 1.510 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CCSC1 ZINC000360743587 152180425 /nfs/dbraw/zinc/18/04/25/152180425.db2.gz FNYFFYDXHSYMSH-NVXWUHKLSA-N 2 0 340.537 1.551 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360797141 152209748 /nfs/dbraw/zinc/20/97/48/152209748.db2.gz IOPXDFSDNOSONG-MRXNPFEDSA-N 2 0 342.528 1.641 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267927 152349478 /nfs/dbraw/zinc/34/94/78/152349478.db2.gz CKTLYPFQUHORTE-CEXWTWQISA-N 3 0 338.540 1.103 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCOCC1 ZINC000361272658 152350865 /nfs/dbraw/zinc/35/08/65/152350865.db2.gz QOJSKGJCUDBEOT-ZJPYXAASSA-N 2 0 325.497 1.186 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417148590 304378163 /nfs/dbraw/zinc/37/81/63/304378163.db2.gz HCVVAIPQIWVFHH-SJORKVTESA-N 2 0 347.507 1.624 20 0 EDADRP Cc1csc(=O)n1CC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000361322142 152362026 /nfs/dbraw/zinc/36/20/26/152362026.db2.gz XJDBQVZHOJQVRQ-UHFFFAOYSA-N 2 0 325.478 1.262 20 0 EDADRP C[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)C[NH+]1CCCC1 ZINC000417164049 304379814 /nfs/dbraw/zinc/37/98/14/304379814.db2.gz TZVVFAODCXQYDE-OAHLLOKOSA-N 2 0 326.485 1.258 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417166863 304380075 /nfs/dbraw/zinc/38/00/75/304380075.db2.gz YKCKCOQDPHVATI-IRXDYDNUSA-N 2 0 334.508 1.892 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000363784302 153055964 /nfs/dbraw/zinc/05/59/64/153055964.db2.gz MVTOHYFNVKNPFG-GOEBONIOSA-N 2 0 335.496 1.385 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@]4(CCC[C@@H]4[NH3+])C3)ccn2)CC1 ZINC000364195229 153169596 /nfs/dbraw/zinc/16/95/96/153169596.db2.gz PLUZKTLNGPQSIW-LPHOPBHVSA-N 2 0 343.475 1.177 20 0 EDADRP C[C@H](CN1CCOCC1)N(C)C(=O)[C@@]1([NH+](C)C)CCc2ccccc21 ZINC000364244056 153184687 /nfs/dbraw/zinc/18/46/87/153184687.db2.gz YFDKGBVIOVPCQX-OXQOHEQNSA-N 2 0 345.487 1.569 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000364733254 153317601 /nfs/dbraw/zinc/31/76/01/153317601.db2.gz CFSPQMRRKAJBGK-UHFFFAOYSA-N 2 0 345.491 1.830 20 0 EDADRP CN(C)C(=O)c1c[nH]nc1[C@@H]1CCCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000364787804 153334541 /nfs/dbraw/zinc/33/45/41/153334541.db2.gz IDPLJLLSQNNJCZ-HUUCEWRRSA-N 2 0 333.480 1.775 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)[NH+]2CCCC2)c1 ZINC000574273368 306646419 /nfs/dbraw/zinc/64/64/19/306646419.db2.gz NZZJVTQKKSAOQK-OLMNPRSZSA-N 2 0 331.460 1.946 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)[C@@H]3C2)C1 ZINC000364927149 153373103 /nfs/dbraw/zinc/37/31/03/153373103.db2.gz WEMSVNFAROLBRZ-BRWVUGGUSA-N 2 0 338.496 1.079 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)([NH+](C)C)C1 ZINC000417216913 304385194 /nfs/dbraw/zinc/38/51/94/304385194.db2.gz QBEUQAANNAFNIC-VNHYZAJKSA-N 2 0 332.439 1.793 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000417296532 304390320 /nfs/dbraw/zinc/39/03/20/304390320.db2.gz QLIPLZUWAAWYTF-SFHVURJKSA-N 2 0 330.476 1.889 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367548790 154170966 /nfs/dbraw/zinc/17/09/66/154170966.db2.gz FXQMXKAUZQTEPT-SNPRPXQTSA-N 2 0 325.840 1.423 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@H](CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000367702659 154234961 /nfs/dbraw/zinc/23/49/61/154234961.db2.gz HVWNNGUVNVWLDI-MRXNPFEDSA-N 2 0 344.503 1.914 20 0 EDADRP CN1CCN(C(=O)CCNC2(c3noc(C(F)F)n3)CCC2)CC1 ZINC000367774408 154262937 /nfs/dbraw/zinc/26/29/37/154262937.db2.gz ZCYBYZXAJDMJIG-UHFFFAOYSA-N 2 0 343.378 1.140 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000367984093 154354478 /nfs/dbraw/zinc/35/44/78/154354478.db2.gz TWTSMGJLIYCDKI-XIRDDKMYSA-N 2 0 347.459 1.294 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417340038 304392773 /nfs/dbraw/zinc/39/27/73/304392773.db2.gz LUHLUVGAHFSJBM-OAHLLOKOSA-N 2 0 330.476 1.827 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000417358318 304394869 /nfs/dbraw/zinc/39/48/69/304394869.db2.gz FIYCHQFAVVYERQ-BBRMVZONSA-N 2 0 336.505 1.997 20 0 EDADRP O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)NCCOc1ccccc1 ZINC000369599055 155103582 /nfs/dbraw/zinc/10/35/82/155103582.db2.gz GRTHEPZZSWVKPP-NEWSRXKRSA-N 2 0 343.471 1.598 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417543693 304404285 /nfs/dbraw/zinc/40/42/85/304404285.db2.gz GIZKFNYKBBHNHP-AWEZNQCLSA-N 2 0 326.485 1.317 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417547196 304404580 /nfs/dbraw/zinc/40/45/80/304404580.db2.gz NSRHXQJKMBCQCV-UONOGXRCSA-N 2 0 326.485 1.268 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417549579 304404959 /nfs/dbraw/zinc/40/49/59/304404959.db2.gz TZHREFHUPHTGDR-LSDHHAIUSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](O)COC(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373899197 157054253 /nfs/dbraw/zinc/05/42/53/157054253.db2.gz JDMHQRSXTXUMLC-HNNXBMFYSA-N 2 0 335.448 1.544 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000378196574 158105092 /nfs/dbraw/zinc/10/50/92/158105092.db2.gz NOQLPZQLMVGEHP-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCC[C@H]3C)CC2)C1 ZINC000378196576 158105206 /nfs/dbraw/zinc/10/52/06/158105206.db2.gz NOQLPZQLMVGEHP-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000378202712 158108005 /nfs/dbraw/zinc/10/80/05/158108005.db2.gz HJEPLBASJMDPAZ-GOSISDBHSA-N 2 0 337.439 1.725 20 0 EDADRP C[C@@H](C(=O)Nc1nc(C2CC[NH2+]CC2)nn1C)[NH+]1CCCCCC1 ZINC000262344092 286785482 /nfs/dbraw/zinc/78/54/82/286785482.db2.gz HMKDZBFZDTUGCY-ZDUSSCGKSA-N 2 0 334.468 1.485 20 0 EDADRP CC(C)n1cc([C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423400706 304894595 /nfs/dbraw/zinc/89/45/95/304894595.db2.gz XBAVFWLPYNMDJA-GXTWGEPZSA-N 2 0 333.402 1.951 20 0 EDADRP CN1CCO[C@H]2CN(C(=O)c3cccc(C[NH+]4CCCC4)c3)C[C@H]21 ZINC000352284287 162093399 /nfs/dbraw/zinc/09/33/99/162093399.db2.gz BYWSPXKGUCZSJT-MSOLQXFVSA-N 2 0 329.444 1.437 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc2c(c1)oc(=O)n2C)CN1CC[NH+](C)CC1 ZINC000352434912 162180182 /nfs/dbraw/zinc/18/01/82/162180182.db2.gz CXZYNMCHAMZBHE-CQSZACIVSA-N 2 0 332.448 1.105 20 0 EDADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000352517389 162225001 /nfs/dbraw/zinc/22/50/01/162225001.db2.gz CTNDPJSXJHJOGX-INIZCTEOSA-N 2 0 336.867 1.648 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000075346550 287276969 /nfs/dbraw/zinc/27/69/69/287276969.db2.gz ORLBUUJILQDAQQ-IAGOWNOFSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccc(F)cc21 ZINC000077823884 287290928 /nfs/dbraw/zinc/29/09/28/287290928.db2.gz AWEHJSPNYJKXQG-QGZVFWFLSA-N 2 0 336.455 1.948 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)NCCCN1CC[NH2+]CC1 ZINC000418289596 304475019 /nfs/dbraw/zinc/47/50/19/304475019.db2.gz DDMXKGNCTMOMSA-UHFFFAOYSA-N 2 0 339.528 1.189 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1 ZINC000363558063 287350988 /nfs/dbraw/zinc/35/09/88/287350988.db2.gz ORAAMDWQNYIUDH-VSZNYVQBSA-N 2 0 334.508 1.844 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122807305 287383386 /nfs/dbraw/zinc/38/33/86/287383386.db2.gz NPKWNDNJCBXDKE-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000168091514 226205629 /nfs/dbraw/zinc/20/56/29/226205629.db2.gz BTFISFRHYZLHML-RTBURBONSA-N 2 0 345.487 1.548 20 0 EDADRP C[C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000122345237 222066716 /nfs/dbraw/zinc/06/67/16/222066716.db2.gz QCKBGYMSPOBQRC-KXBFYZLASA-N 2 0 348.491 1.045 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC000192796219 272986479 /nfs/dbraw/zinc/98/64/79/272986479.db2.gz MIKMDRYKTCUBPY-SFHVURJKSA-N 2 0 338.540 1.816 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237811476 273013000 /nfs/dbraw/zinc/01/30/00/273013000.db2.gz POILFJIVWNZDJY-IEBWSBKVSA-N 2 0 344.503 1.832 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000274672074 268180816 /nfs/dbraw/zinc/18/08/16/268180816.db2.gz IFHIDGKYMJYQBY-SOLBZPMBSA-N 2 0 333.476 1.762 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274783173 268205790 /nfs/dbraw/zinc/20/57/90/268205790.db2.gz PRBWEENHXURJEL-WBVHZDCISA-N 2 0 341.459 1.640 20 0 EDADRP C[N@H+](CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000278916853 273271311 /nfs/dbraw/zinc/27/13/11/273271311.db2.gz COWXROQFODJBDQ-MRXNPFEDSA-N 2 0 341.459 1.739 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000362564586 275011193 /nfs/dbraw/zinc/01/11/93/275011193.db2.gz MFQVMUNDXUKVBE-CABCVRRESA-N 2 0 331.464 1.577 20 0 EDADRP C(C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1)[NH+]1CCOCC1 ZINC000190190697 275390334 /nfs/dbraw/zinc/39/03/34/275390334.db2.gz XBFZTSCEEQHQMS-UHFFFAOYSA-N 2 0 338.492 1.964 20 0 EDADRP CC[N@H+](CC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000131944244 276080102 /nfs/dbraw/zinc/08/01/02/276080102.db2.gz XSQZYFHVNFIKGP-IYBDPMFKSA-N 2 0 337.508 1.819 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948869 276260314 /nfs/dbraw/zinc/26/03/14/276260314.db2.gz IHIWUOAKBDBOIX-IAGOWNOFSA-N 2 0 325.497 1.770 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn(C(C)C)n1 ZINC000353730601 276370968 /nfs/dbraw/zinc/37/09/68/276370968.db2.gz RIGUKSDHNTXNNR-MRXNPFEDSA-N 2 0 335.496 1.952 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000333368696 276885745 /nfs/dbraw/zinc/88/57/45/276885745.db2.gz FDXPTHWZISFMMW-IAGOWNOFSA-N 2 0 337.512 1.114 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[NH2+]CC1CC1 ZINC000286112489 287937929 /nfs/dbraw/zinc/93/79/29/287937929.db2.gz OCJGZNDGALPZMJ-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000423356206 278281976 /nfs/dbraw/zinc/28/19/76/278281976.db2.gz JNUUCOFJYIHUSH-JKSUJKDBSA-N 2 0 347.507 1.737 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(N3CCOCC3)CCOCC2)CC1 ZINC000459721474 278340981 /nfs/dbraw/zinc/34/09/81/278340981.db2.gz WCTKTIDGNRHEOZ-UHFFFAOYSA-N 2 0 339.524 1.720 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000418751067 278522216 /nfs/dbraw/zinc/52/22/16/278522216.db2.gz QFHJMHOXHFCYMJ-YMAMQOFZSA-N 2 0 344.450 1.890 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000458936266 278980648 /nfs/dbraw/zinc/98/06/48/278980648.db2.gz MZNSMEVPZAOUFX-RDJZCZTQSA-N 2 0 328.501 1.109 20 0 EDADRP CC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000369396090 279030688 /nfs/dbraw/zinc/03/06/88/279030688.db2.gz UAPIHVQIFCVKMR-OWCLPIDISA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000186575923 279263165 /nfs/dbraw/zinc/26/31/65/279263165.db2.gz KSXNLHVBKBASGU-OAHLLOKOSA-N 2 0 337.537 1.728 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000111866138 279281362 /nfs/dbraw/zinc/28/13/62/279281362.db2.gz ONPVKBZVDLDDML-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCCSC ZINC000341180823 279302629 /nfs/dbraw/zinc/30/26/29/279302629.db2.gz PUCIMRLFOPNBTG-OAHLLOKOSA-N 2 0 330.542 1.797 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000101626961 279355971 /nfs/dbraw/zinc/35/59/71/279355971.db2.gz IGKGRRROGQAVHQ-SFHVURJKSA-N 2 0 332.492 1.433 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000416999024 279363346 /nfs/dbraw/zinc/36/33/46/279363346.db2.gz XJFQVYHIDFDKCY-INIZCTEOSA-N 2 0 347.507 1.361 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000416991698 279363461 /nfs/dbraw/zinc/36/34/61/279363461.db2.gz OPZQOODGFISYCD-INIZCTEOSA-N 2 0 347.507 1.218 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)C[C@H](C)O1 ZINC000357171665 288159573 /nfs/dbraw/zinc/15/95/73/288159573.db2.gz HBCHCMCVYKVQPV-NTDBWNAOSA-N 2 0 337.508 1.772 20 0 EDADRP CC1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[NH2+]CC1 ZINC000333892076 281564173 /nfs/dbraw/zinc/56/41/73/281564173.db2.gz YJMFUQKXJWMTIY-UHFFFAOYSA-N 2 0 338.496 1.130 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000375202404 282070514 /nfs/dbraw/zinc/07/05/14/282070514.db2.gz QKRCENQLPQQPIS-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000290026630 288824438 /nfs/dbraw/zinc/82/44/38/288824438.db2.gz CPKNSADMUZPXHL-SJLPKXTDSA-N 2 0 345.491 1.084 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc(C(=O)OC)c(C)n1C ZINC000290994890 288986394 /nfs/dbraw/zinc/98/63/94/288986394.db2.gz AQFCZWYZKTXKDJ-OAHLLOKOSA-N 2 0 325.453 1.567 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356517955 289132241 /nfs/dbraw/zinc/13/22/41/289132241.db2.gz GJPMUBQNMQTKEL-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000497243129 289955237 /nfs/dbraw/zinc/95/52/37/289955237.db2.gz KCOMRLFEENWGOX-HNNXBMFYSA-N 2 0 332.448 1.589 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000334095483 290093885 /nfs/dbraw/zinc/09/38/85/290093885.db2.gz RJBJQSTZAGPEFX-GJZGRUSLSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000351767312 290096540 /nfs/dbraw/zinc/09/65/40/290096540.db2.gz GJSULXILVIYSHQ-ULQDDVLXSA-N 2 0 340.512 1.205 20 0 EDADRP Cc1csc(=O)n1CC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363715210 293019607 /nfs/dbraw/zinc/01/96/07/293019607.db2.gz UNLDUTDMBVEZAB-CWRNSKLLSA-N 2 0 339.505 1.697 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000349892835 299894659 /nfs/dbraw/zinc/89/46/59/299894659.db2.gz KNJUGQOICGDIPR-HOTGVXAUSA-N 2 0 340.512 1.253 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)sc2C1 ZINC000377583296 295342306 /nfs/dbraw/zinc/34/23/06/295342306.db2.gz PZWSYSIEJNGERD-AWEZNQCLSA-N 2 0 342.468 1.900 20 0 EDADRP CS(=O)(=O)N1CC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000374855570 295523092 /nfs/dbraw/zinc/52/30/92/295523092.db2.gz KZUAMHVACVWCKT-INIZCTEOSA-N 2 0 329.510 1.076 20 0 EDADRP CSC1(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC[NH+](C)CC1 ZINC000353625183 295582635 /nfs/dbraw/zinc/58/26/35/295582635.db2.gz RTBUUACHJIFCMD-KGLIPLIRSA-N 2 0 334.551 1.759 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417742158 297113295 /nfs/dbraw/zinc/11/32/95/297113295.db2.gz VTKGBRJFDCIPPX-LSDHHAIUSA-N 2 0 330.476 1.477 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000418864460 304541464 /nfs/dbraw/zinc/54/14/64/304541464.db2.gz QTRKUTYKKARCHP-DLBZAZTESA-N 2 0 348.491 1.285 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000362569793 300225274 /nfs/dbraw/zinc/22/52/74/300225274.db2.gz OWQWRPGLZXESEC-LSDHHAIUSA-N 2 0 325.522 1.662 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CCCO1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000372842837 447311069 /nfs/dbraw/zinc/31/10/69/447311069.db2.gz QWAFVOBKIKGFAJ-NUJGCVRESA-N 2 0 349.519 1.866 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)c1 ZINC000425811985 447312419 /nfs/dbraw/zinc/31/24/19/447312419.db2.gz MEMNKIIANWHVSR-DOTOQJQBSA-N 2 0 344.459 1.239 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)Cc1cccc2cccnc21 ZINC000420462708 304760894 /nfs/dbraw/zinc/76/08/94/304760894.db2.gz VYBYHOMNBNLGGO-UHFFFAOYSA-N 2 0 336.461 1.064 20 0 EDADRP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2C[C@H](F)CN2Cc2ccnn2C)CC[NH2+]1 ZINC000414754493 447322885 /nfs/dbraw/zinc/32/28/85/447322885.db2.gz GEILZAANRSLQNR-CVYDXHPNSA-N 2 0 337.487 1.652 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000419654761 447324632 /nfs/dbraw/zinc/32/46/32/447324632.db2.gz SETDHIRARAHLKP-BBRMVZONSA-N 2 0 346.475 1.086 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CC[NH2+][C@H](C)C1)c1ccccc1 ZINC000419658943 447327036 /nfs/dbraw/zinc/32/70/36/447327036.db2.gz ZJIXRZUEVMJWSE-HUUCEWRRSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000295042285 303166362 /nfs/dbraw/zinc/16/63/62/303166362.db2.gz POCICCOLOSWJTP-WOUAJJJCSA-N 2 0 331.504 1.724 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)CO2 ZINC000295906288 303281897 /nfs/dbraw/zinc/28/18/97/303281897.db2.gz IXDJDXGEMNSZLN-PKOBYXMFSA-N 2 0 347.503 1.860 20 0 EDADRP CCC1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000297221395 303374726 /nfs/dbraw/zinc/37/47/26/303374726.db2.gz MSNCMDIDDLFWBS-UHFFFAOYSA-N 2 0 331.464 1.836 20 0 EDADRP Cn1c(C[NH2+]CCN2CC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000414859465 447331382 /nfs/dbraw/zinc/33/13/82/447331382.db2.gz AWXBGZNOJXNTRF-UHFFFAOYSA-N 2 0 341.381 1.587 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000458373583 447332430 /nfs/dbraw/zinc/33/24/30/447332430.db2.gz IRPKAHNZVRGUKC-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000458373193 447332655 /nfs/dbraw/zinc/33/26/55/447332655.db2.gz RMPYLNCUSHBXMJ-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1CN(c2cc(N3C[C@H]([NH+](C)C)[C@@H](C)C3)ncn2)C[C@@H]1[NH+](C)C ZINC000302273499 303720564 /nfs/dbraw/zinc/72/05/64/303720564.db2.gz HWYZDUVAKKRSJT-FZKCQIBNSA-N 2 0 332.496 1.249 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)cc1 ZINC000414880140 447340298 /nfs/dbraw/zinc/34/02/98/447340298.db2.gz QCJMJDYAPBDOKY-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000422920307 304880347 /nfs/dbraw/zinc/88/03/47/304880347.db2.gz MFUUERJGRZFXQO-XWTMOSNGSA-N 2 0 331.460 1.487 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)COCC(F)(F)F)CC[NH2+]CC1 ZINC000422942732 304880836 /nfs/dbraw/zinc/88/08/36/304880836.db2.gz JSHZVHXMNMJSLW-RYUDHWBXSA-N 2 0 340.386 1.865 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423417766 304895143 /nfs/dbraw/zinc/89/51/43/304895143.db2.gz SVXMLVKJNMZROQ-MRXNPFEDSA-N 2 0 340.512 1.154 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423747085 304908019 /nfs/dbraw/zinc/90/80/19/304908019.db2.gz OXMWJZMTIAIFDU-SLTAFYQDSA-N 2 0 333.480 1.727 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425487495 304965859 /nfs/dbraw/zinc/96/58/59/304965859.db2.gz YSDSMNSWGDPPJG-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH2+]C[C@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430596028 305057515 /nfs/dbraw/zinc/05/75/15/305057515.db2.gz NMXWFRAWYAUGSZ-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627397 305060105 /nfs/dbraw/zinc/06/01/05/305060105.db2.gz NBVAZBCVANFYHB-HZPDHXFCSA-N 2 0 344.459 1.157 20 0 EDADRP C[NH2+][C@@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430641838 305060772 /nfs/dbraw/zinc/06/07/72/305060772.db2.gz MYXCPBXVNBFLGH-QGZVFWFLSA-N 2 0 348.516 1.468 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781560 305064914 /nfs/dbraw/zinc/06/49/14/305064914.db2.gz UDDZQRZAUGYCFA-ILZDJORESA-N 2 0 345.487 1.782 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430878915 305066680 /nfs/dbraw/zinc/06/66/80/305066680.db2.gz QGVFMULBFCDWGD-GJZGRUSLSA-N 2 0 332.448 1.450 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000430876709 305066737 /nfs/dbraw/zinc/06/67/37/305066737.db2.gz GSBCQUYKXIRJLT-IMJJTQAJSA-N 2 0 344.459 1.450 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000430917101 305068040 /nfs/dbraw/zinc/06/80/40/305068040.db2.gz CDLACAYBAKFXHW-UHFFFAOYSA-N 2 0 325.403 1.555 20 0 EDADRP Cc1cccc(C)c1OCCNC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430922297 305068350 /nfs/dbraw/zinc/06/83/50/305068350.db2.gz ZCNJOSFOBGABEN-MRXNPFEDSA-N 2 0 333.476 1.858 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1 ZINC000430966728 305071464 /nfs/dbraw/zinc/07/14/64/305071464.db2.gz PKNLOLVPIBUZNO-UHFFFAOYSA-N 2 0 337.439 1.642 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCCN(c3ccccc3)C2)CC1 ZINC000433130243 305101208 /nfs/dbraw/zinc/10/12/08/305101208.db2.gz RAWXGSOJPIMPIY-GOSISDBHSA-N 2 0 344.503 1.975 20 0 EDADRP CC(=O)N(C)c1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433140923 305101544 /nfs/dbraw/zinc/10/15/44/305101544.db2.gz LAGLMBKCZBYOEH-UHFFFAOYSA-N 2 0 332.448 1.811 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@@H+]1C ZINC000433411716 305108368 /nfs/dbraw/zinc/10/83/68/305108368.db2.gz QWECWKRQLOKIBT-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP CCOc1ccccc1OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436062805 305151930 /nfs/dbraw/zinc/15/19/30/305151930.db2.gz JYLSAXJNUSTIGK-INIZCTEOSA-N 2 0 349.475 1.784 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000436491853 305158881 /nfs/dbraw/zinc/15/88/81/305158881.db2.gz XFMNKCCDEYOSJY-UHFFFAOYSA-N 2 0 336.484 1.687 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000438990259 305192644 /nfs/dbraw/zinc/19/26/44/305192644.db2.gz XSSPBGRXZOLICH-CYBMUJFWSA-N 2 0 335.448 1.761 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H](O)C1 ZINC000439460017 305197972 /nfs/dbraw/zinc/19/79/72/305197972.db2.gz GEGPKZYOVVMJBI-AEFFLSMTSA-N 2 0 346.475 1.261 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000440981883 305215689 /nfs/dbraw/zinc/21/56/89/305215689.db2.gz KSSUHFLJFBCCLK-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067440 305234304 /nfs/dbraw/zinc/23/43/04/305234304.db2.gz GQRQCBYRZOSFSW-CHWSQXEVSA-N 2 0 336.411 1.923 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000446293398 305262836 /nfs/dbraw/zinc/26/28/36/305262836.db2.gz XMVUJFKQFVTOLI-FRQCXROJSA-N 2 0 337.508 1.757 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887044 305271367 /nfs/dbraw/zinc/27/13/67/305271367.db2.gz NGTNHHRABKFKCF-UHFFFAOYSA-N 2 0 347.507 1.529 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)CC1 ZINC000448262445 305295024 /nfs/dbraw/zinc/29/50/24/305295024.db2.gz XLDFHDUCGHVMSB-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000449712243 305317723 /nfs/dbraw/zinc/31/77/23/305317723.db2.gz QUEYHNUKOUUBEH-KRWDZBQOSA-N 2 0 326.400 1.355 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000451988240 305376460 /nfs/dbraw/zinc/37/64/60/305376460.db2.gz PDFNLXRMIWSQAT-KRWDZBQOSA-N 2 0 346.519 1.870 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[NH+](C)C ZINC000455441161 305441812 /nfs/dbraw/zinc/44/18/12/305441812.db2.gz MEFHSUQERSDPJF-HNNXBMFYSA-N 2 0 348.491 1.393 20 0 EDADRP OC[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425895380 447353100 /nfs/dbraw/zinc/35/31/00/447353100.db2.gz JAKRBFLWUSBYGS-MRXNPFEDSA-N 2 0 333.407 1.974 20 0 EDADRP C[NH+](C)CC1CCC([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497105717 305683710 /nfs/dbraw/zinc/68/37/10/305683710.db2.gz HTIDQDZWQPRULO-JMLCCBQJSA-N 2 0 343.512 1.972 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425903834 447354606 /nfs/dbraw/zinc/35/46/06/447354606.db2.gz WVHXDXYKNHNTKF-CABCVRRESA-N 2 0 334.464 1.878 20 0 EDADRP CCc1nc2n(n1)C[C@H]([NH2+]Cc1cc(C3CC[NH2+]CC3)no1)CC2 ZINC000425897646 447354851 /nfs/dbraw/zinc/35/48/51/447354851.db2.gz VNHSDIQKVSGPOU-CYBMUJFWSA-N 2 0 330.436 1.400 20 0 EDADRP Cc1[nH]nc2ncc(C[NH+]3CCC([C@H]4OCCC[C@H]4[NH3+])CC3)cc12 ZINC000520369381 305778729 /nfs/dbraw/zinc/77/87/29/305778729.db2.gz VDRAQMLYJIXZRW-IAGOWNOFSA-N 2 0 329.448 1.985 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccncc2)CC1)C12CCC[NH+]1CCC2 ZINC000377795458 447360489 /nfs/dbraw/zinc/36/04/89/447360489.db2.gz DEGRGUKJGBXCDE-UHFFFAOYSA-N 2 0 342.487 1.833 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529305695 305907516 /nfs/dbraw/zinc/90/75/16/305907516.db2.gz JSNINOMPQHBAPN-OAHLLOKOSA-N 2 0 338.496 1.460 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000414935596 447364450 /nfs/dbraw/zinc/36/44/50/447364450.db2.gz BBZQRGNMKKPLSI-BBRMVZONSA-N 2 0 332.448 1.189 20 0 EDADRP O=C(N1CCC([NH2+]CC2CC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449128923 447364549 /nfs/dbraw/zinc/36/45/49/447364549.db2.gz SZKXZKFCSJCSIJ-HXUWFJFHSA-N 2 0 327.472 1.908 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000533610616 306001802 /nfs/dbraw/zinc/00/18/02/306001802.db2.gz ZAFIHSOZPWKGMQ-ARFHVFGLSA-N 2 0 338.496 1.079 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)[C@@H]2C[NH+]3CCN2CCC3)c1)C1CC1 ZINC000537168514 306026554 /nfs/dbraw/zinc/02/65/54/306026554.db2.gz XRCTVAJFNLFVMK-IBGZPJMESA-N 2 0 342.487 1.652 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000544587828 306076985 /nfs/dbraw/zinc/07/69/85/306076985.db2.gz KMQORRXVKZTILL-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000545175771 306080900 /nfs/dbraw/zinc/08/09/00/306080900.db2.gz SGQQSXPCGQAMDW-HKUYNNGSSA-N 2 0 346.475 1.017 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000546732774 306095600 /nfs/dbraw/zinc/09/56/00/306095600.db2.gz PWXPJPJKPKGNNI-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP CC(=O)[C@@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1(C)C ZINC000548365062 306125767 /nfs/dbraw/zinc/12/57/67/306125767.db2.gz QGYRRIULXWRNMN-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)[N@@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000552191636 306177529 /nfs/dbraw/zinc/17/75/29/306177529.db2.gz NBTNDLFHILTANB-HNNXBMFYSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H](Cn1ncc2ccccc21)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000556829953 306219296 /nfs/dbraw/zinc/21/92/96/306219296.db2.gz VNRZLWIBEXTAHQ-INIZCTEOSA-N 2 0 345.491 1.624 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000449707912 447388130 /nfs/dbraw/zinc/38/81/30/447388130.db2.gz SONRZMAIPRZLIT-GOSISDBHSA-N 2 0 344.503 1.552 20 0 EDADRP O=C(CN1CC[NH+](C2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000045768898 441033158 /nfs/dbraw/zinc/03/31/58/441033158.db2.gz RFXBLYSBLJBVRS-UHFFFAOYSA-N 2 0 334.508 1.290 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419831291 447437607 /nfs/dbraw/zinc/43/76/07/447437607.db2.gz WYMKNBUYEANWMU-HUUCEWRRSA-N 2 0 338.496 1.095 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105205377 441242461 /nfs/dbraw/zinc/24/24/61/441242461.db2.gz WOJMFVVKFNVHII-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000047978333 441245764 /nfs/dbraw/zinc/24/57/64/441245764.db2.gz DROXAVKZIADPRW-UHFFFAOYSA-N 3 0 338.540 1.641 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000106383604 441336259 /nfs/dbraw/zinc/33/62/59/441336259.db2.gz YQGVNOJUHVADKO-JFIYKMOQSA-N 2 0 327.513 1.120 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000048395119 441302716 /nfs/dbraw/zinc/30/27/16/441302716.db2.gz RJUDASOXJULGDW-GJZGRUSLSA-N 2 0 338.496 1.412 20 0 EDADRP O=C(C[NH+]1CCC(Cn2cccn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000105886813 441307986 /nfs/dbraw/zinc/30/79/86/441307986.db2.gz JGENWWJDGUAVCW-UHFFFAOYSA-N 2 0 345.491 1.338 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000064515329 441382512 /nfs/dbraw/zinc/38/25/12/441382512.db2.gz UATOGMSVFXGFDX-UHFFFAOYSA-N 3 0 336.524 1.393 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000106911980 441389022 /nfs/dbraw/zinc/38/90/22/441389022.db2.gz ZZQBFUWKRIAHKQ-INIZCTEOSA-N 2 0 333.480 1.036 20 0 EDADRP COc1ccc(Br)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000106958898 441394853 /nfs/dbraw/zinc/39/48/53/441394853.db2.gz JZJDJLSJZWWDMX-UHFFFAOYSA-N 2 0 328.254 1.453 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H](N2CC[NH+](CC)CC2)C1)C(C)C ZINC000106556163 441355363 /nfs/dbraw/zinc/35/53/63/441355363.db2.gz OFCURFPKYFDFCX-KRWDZBQOSA-N 2 0 339.528 1.138 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000074219951 441410133 /nfs/dbraw/zinc/41/01/33/441410133.db2.gz IYWRURWPAKKLRG-UHFFFAOYSA-N 2 0 333.480 1.585 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107835317 441431611 /nfs/dbraw/zinc/43/16/11/441431611.db2.gz BHHASEOASZGLBU-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000085361763 441434232 /nfs/dbraw/zinc/43/42/32/441434232.db2.gz ZWVARZLUVNXROE-GJZGRUSLSA-N 2 0 328.501 1.373 20 0 EDADRP CO[C@@]1(C)C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000074943054 441482053 /nfs/dbraw/zinc/48/20/53/441482053.db2.gz CGHDVNYNOAJCGI-PBHICJAKSA-N 2 0 328.501 1.325 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111838690 441542144 /nfs/dbraw/zinc/54/21/44/441542144.db2.gz BXPALNLFGPUWED-HZPDHXFCSA-N 2 0 340.512 1.110 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158786274 441763939 /nfs/dbraw/zinc/76/39/39/441763939.db2.gz OCFXDAGUNXYJPQ-ZDUSSCGKSA-N 2 0 345.285 1.736 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000077774334 441857592 /nfs/dbraw/zinc/85/75/92/441857592.db2.gz VUIGHPLDTFNYAL-SJORKVTESA-N 3 0 341.544 1.242 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000173936791 441864650 /nfs/dbraw/zinc/86/46/50/441864650.db2.gz DSKPAOBVEXLXAN-LJQANCHMSA-N 2 0 345.487 1.530 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCc1cccnc1 ZINC000173694903 441825599 /nfs/dbraw/zinc/82/55/99/441825599.db2.gz ZSCSPVWNIJFXNJ-GOSISDBHSA-N 2 0 347.507 1.682 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)C)C1 ZINC000140475813 441839160 /nfs/dbraw/zinc/83/91/60/441839160.db2.gz QUFQBLAUDFPORX-IAGOWNOFSA-N 2 0 325.497 1.580 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)c1 ZINC000118106265 441886892 /nfs/dbraw/zinc/88/68/92/441886892.db2.gz AEISUTGPSQNVDH-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000078031149 441896635 /nfs/dbraw/zinc/89/66/35/441896635.db2.gz UXPMARAOIDEBMM-KRWDZBQOSA-N 2 0 347.507 1.440 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(-n2ccnc2C)nc1 ZINC000174182314 441900028 /nfs/dbraw/zinc/90/00/28/441900028.db2.gz GAAZOCKUACENII-INIZCTEOSA-N 2 0 342.447 1.859 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CCOCC1 ZINC000174487641 441930184 /nfs/dbraw/zinc/93/01/84/441930184.db2.gz YGUVEPLGVKXKID-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174718499 441957336 /nfs/dbraw/zinc/95/73/36/441957336.db2.gz VDOJHTBMFJLROI-FGTMMUONSA-N 2 0 338.540 1.449 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CN1C1CC1 ZINC000119932854 441978948 /nfs/dbraw/zinc/97/89/48/441978948.db2.gz PYAKSYCOYYOGMU-CRAIPNDOSA-N 2 0 344.503 1.693 20 0 EDADRP CCN(C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1)C1CCCCC1 ZINC000174728715 441961338 /nfs/dbraw/zinc/96/13/38/441961338.db2.gz OFUPBZPSJUREAF-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@@H](C)[NH+](C)C2CC2)CC[N@@H+]1CCOC ZINC000161704034 442025452 /nfs/dbraw/zinc/02/54/52/442025452.db2.gz QYYAPZWNNJZOHB-WBVHZDCISA-N 2 0 340.512 1.611 20 0 EDADRP Cc1csc(N2CCC([NH2+]CC3CC[NH+](CCO)CC3)CC2)n1 ZINC000151804991 442122327 /nfs/dbraw/zinc/12/23/27/442122327.db2.gz FZTQKBIBBZALNQ-UHFFFAOYSA-N 2 0 338.521 1.714 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000151949654 442144834 /nfs/dbraw/zinc/14/48/34/442144834.db2.gz CJKZHFGSUKQYNE-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1)CN1CC[NH+](C)CC1 ZINC000121042568 442169800 /nfs/dbraw/zinc/16/98/00/442169800.db2.gz GGCGWCALWODVMJ-CVEARBPZSA-N 2 0 343.479 1.196 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)N1CC[NH+](C)CC1 ZINC000127328474 442193956 /nfs/dbraw/zinc/19/39/56/442193956.db2.gz RKLKTDPQFYPMCS-QZTJIDSGSA-N 3 0 348.535 1.914 20 0 EDADRP CN1CCN(C(=O)C[NH+]2CCC(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000121299992 442200922 /nfs/dbraw/zinc/20/09/22/442200922.db2.gz NLPVRHCIMAGFKQ-UHFFFAOYSA-N 2 0 341.459 1.516 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000165040378 442205895 /nfs/dbraw/zinc/20/58/95/442205895.db2.gz QKHYAFCYYKTOJY-QZTJIDSGSA-N 2 0 331.460 1.708 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000166432795 442216388 /nfs/dbraw/zinc/21/63/88/442216388.db2.gz KUPNFCJTNIMWLF-IJEWVQPXSA-N 2 0 343.537 1.415 20 0 EDADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000167768012 442222014 /nfs/dbraw/zinc/22/20/14/442222014.db2.gz GLHFAWRXZYCMFV-ZWKOTPCHSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000128510670 442270723 /nfs/dbraw/zinc/27/07/23/442270723.db2.gz HEFBHJMCUKJMKJ-ROUUACIJSA-N 2 0 344.503 1.798 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C[N@@H+]1C1CC1 ZINC000177096472 442295799 /nfs/dbraw/zinc/29/57/99/442295799.db2.gz AVWWXKAZWAEXSX-HUUCEWRRSA-N 2 0 331.460 1.982 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(-n2cncn2)cc1 ZINC000154437101 442339403 /nfs/dbraw/zinc/33/94/03/442339403.db2.gz XGFUZZIREQSTRS-QGZVFWFLSA-N 2 0 342.491 1.946 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H]3CCCC[C@@H]3C2)C1 ZINC000177534518 442354434 /nfs/dbraw/zinc/35/44/34/442354434.db2.gz WUIDNBTZQFHNIN-FGTMMUONSA-N 2 0 337.508 1.581 20 0 EDADRP FC(F)CN1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000132951509 442403868 /nfs/dbraw/zinc/40/38/68/442403868.db2.gz JTPBDFCPDVFVLR-AWEZNQCLSA-N 2 0 331.451 1.806 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCOCC2(C)C)C1 ZINC000171686964 442370338 /nfs/dbraw/zinc/37/03/38/442370338.db2.gz LOOCMZRANMROGR-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000177875429 442393095 /nfs/dbraw/zinc/39/30/95/442393095.db2.gz FDKHLXUHWBBMSL-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP CC(C)[C@H](C[NH2+]C1CCN(CC(F)F)CC1)N1CC[NH+](C)CC1 ZINC000132469145 442394293 /nfs/dbraw/zinc/39/42/93/442394293.db2.gz LNGFBVAGZQCCSA-INIZCTEOSA-N 2 0 332.483 1.578 20 0 EDADRP C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000172365682 442450461 /nfs/dbraw/zinc/45/04/61/442450461.db2.gz POQRSTDRGRVPKH-BBWFWOEESA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCS[C@@H]3COCC[C@@H]32)CC1 ZINC000191554064 442463562 /nfs/dbraw/zinc/46/35/62/442463562.db2.gz UEBFXSWMMUSVLY-DLBZAZTESA-N 2 0 327.538 1.609 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000186543296 442557272 /nfs/dbraw/zinc/55/72/72/442557272.db2.gz IBXXLPWSWIOIBZ-IRXDYDNUSA-N 2 0 340.512 1.347 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178875749 442511425 /nfs/dbraw/zinc/51/14/25/442511425.db2.gz QVKHBNCCMGXSDF-SFHVURJKSA-N 2 0 344.503 1.847 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178879834 442512249 /nfs/dbraw/zinc/51/22/49/442512249.db2.gz FGUKNBHWZSRRNJ-LSDHHAIUSA-N 2 0 348.466 1.754 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(C(=O)C3CC3)CC2)CC1 ZINC000192838404 442691440 /nfs/dbraw/zinc/69/14/40/442691440.db2.gz HKKVFOMRIGCUTK-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246723617 442806911 /nfs/dbraw/zinc/80/69/11/442806911.db2.gz UWKCZSHDBTZWQD-OWCLPIDISA-N 2 0 325.497 1.674 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000246427408 442781130 /nfs/dbraw/zinc/78/11/30/442781130.db2.gz MJROLWRCDTYJFK-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)C[C@@H]1CCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000268092473 442843943 /nfs/dbraw/zinc/84/39/43/442843943.db2.gz GPBSDJXSADGRQI-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP CC[C@@H](C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182969070 442857285 /nfs/dbraw/zinc/85/72/85/442857285.db2.gz LADYBHOREPVOFO-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1[NH+](C)C ZINC000268161892 442878381 /nfs/dbraw/zinc/87/83/81/442878381.db2.gz IGMPSBOVDBYZEJ-DYVFJYSZSA-N 2 0 336.455 1.979 20 0 EDADRP CC(C)OC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182955983 442854202 /nfs/dbraw/zinc/85/42/02/442854202.db2.gz OLFPMCRRJNGVAX-SFHVURJKSA-N 2 0 328.497 1.597 20 0 EDADRP CN(CCC(=O)N1CCN(c2ccccn2)CC1)Cc1ccon1 ZINC000265821219 442933813 /nfs/dbraw/zinc/93/38/13/442933813.db2.gz RZUDEEOUIYZBMB-UHFFFAOYSA-N 2 0 329.404 1.240 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C1(C)C ZINC000249058276 442947277 /nfs/dbraw/zinc/94/72/77/442947277.db2.gz FLEHTUHDJDDREW-BORJPKMPSA-N 2 0 325.497 1.756 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC1(SC)CC1 ZINC000195131187 442987780 /nfs/dbraw/zinc/98/77/80/442987780.db2.gz KPLDHAFMZBHQGP-HNNXBMFYSA-N 2 0 342.553 1.940 20 0 EDADRP CCN1CCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000265867884 442951455 /nfs/dbraw/zinc/95/14/55/442951455.db2.gz YFKXUOMDPGHUDE-SFHVURJKSA-N 2 0 331.460 1.442 20 0 EDADRP CC[C@]1(CO)CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000251911659 443019336 /nfs/dbraw/zinc/01/93/36/443019336.db2.gz RTXVETITGJTXCS-IEBWSBKVSA-N 2 0 333.476 1.642 20 0 EDADRP COc1cc2c(c(C[NH2+]CCCN(C)CC[NH+](C)C)c1)O[C@H](C)C2 ZINC000623088035 450398476 /nfs/dbraw/zinc/39/84/76/450398476.db2.gz TWVREKMONUVLKF-OAHLLOKOSA-N 2 0 335.492 1.992 20 0 EDADRP Cc1nccc(N2CCN(Cc3cn(C)nc3-c3ccncc3)CC2)n1 ZINC000184762382 443073470 /nfs/dbraw/zinc/07/34/70/443073470.db2.gz HZKMKJJTVOKFLI-UHFFFAOYSA-N 2 0 349.442 1.903 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)CC1 ZINC000185111491 443140023 /nfs/dbraw/zinc/14/00/23/443140023.db2.gz MGYDDDWGDMGLFR-GUDVDZBRSA-N 2 0 342.487 1.243 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)[NH+](C)C ZINC000268894587 443140216 /nfs/dbraw/zinc/14/02/16/443140216.db2.gz JYOZFMZXXPHKNG-INIZCTEOSA-N 2 0 333.480 1.891 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268793264 443110219 /nfs/dbraw/zinc/11/02/19/443110219.db2.gz FDCKBHRFYCMDST-FUHWJXTLSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268794362 443110973 /nfs/dbraw/zinc/11/09/73/443110973.db2.gz FDCKBHRFYCMDST-SJLPKXTDSA-N 2 0 345.487 1.769 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000268802245 443112789 /nfs/dbraw/zinc/11/27/89/443112789.db2.gz BKMXSHSXHRUSHE-GDZNZVCISA-N 2 0 337.489 1.728 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237469829 443172411 /nfs/dbraw/zinc/17/24/11/443172411.db2.gz PGWQYTNTEYYRDD-KGLIPLIRSA-N 2 0 334.468 1.053 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185404104 443194551 /nfs/dbraw/zinc/19/45/51/443194551.db2.gz UPFVQFNRYDUTKQ-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000268936151 443152690 /nfs/dbraw/zinc/15/26/90/443152690.db2.gz YQXQGWDWPZFIIZ-LZQZEXGQSA-N 2 0 328.460 1.954 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236995602 443154580 /nfs/dbraw/zinc/15/45/80/443154580.db2.gz ZBWFLLMPIZZXPK-KRWDZBQOSA-N 2 0 344.503 1.948 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)[C@@H](C)C1 ZINC000245419471 443226568 /nfs/dbraw/zinc/22/65/68/443226568.db2.gz HAIMSQPEDLRRGY-YOEHRIQHSA-N 2 0 346.475 1.776 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H](C)[NH+](C)C)CC2)c1 ZINC000266782556 443239770 /nfs/dbraw/zinc/23/97/70/443239770.db2.gz CPNZZHPECXRCSO-KRWDZBQOSA-N 2 0 332.492 1.573 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663081 443243085 /nfs/dbraw/zinc/24/30/85/443243085.db2.gz DJOCBPLOAOVPIZ-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@H](C)C1 ZINC000262758468 443210532 /nfs/dbraw/zinc/21/05/32/443210532.db2.gz ICLLMPJZLVWGHU-PMPSAXMXSA-N 2 0 343.537 1.335 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000349417122 319031596 /nfs/dbraw/zinc/03/15/96/319031596.db2.gz PHGDUEAWBUUROW-MRXNPFEDSA-N 2 0 348.491 1.500 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(CC(=O)OC)CCCC2)CC1 ZINC000411657450 319192760 /nfs/dbraw/zinc/19/27/60/319192760.db2.gz HOJKPFBIZSQRSK-UHFFFAOYSA-N 2 0 325.453 1.052 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000411689716 319196030 /nfs/dbraw/zinc/19/60/30/319196030.db2.gz GDZJZUYVVZQSIJ-UYAOXDASSA-N 2 0 344.503 1.622 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000269255289 443253093 /nfs/dbraw/zinc/25/30/93/443253093.db2.gz JHJVBBAZMNVDKT-KRWDZBQOSA-N 2 0 335.448 1.012 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](CO)CC(C)(C)C)CC1 ZINC000411785731 319203859 /nfs/dbraw/zinc/20/38/59/319203859.db2.gz BNRYZDDROBYRML-MRXNPFEDSA-N 2 0 327.513 1.704 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(O)c1 ZINC000414205184 319319693 /nfs/dbraw/zinc/31/96/93/319319693.db2.gz XBBYQMPJTMCSAI-INIZCTEOSA-N 2 0 333.476 1.839 20 0 EDADRP C[C@H](C[NH2+]Cc1cccc2c1OC(F)(F)O2)N1CC[NH+](C)CC1 ZINC000414321200 319324556 /nfs/dbraw/zinc/32/45/56/319324556.db2.gz CATCLLJRCPOYKT-GFCCVEGCSA-N 2 0 327.375 1.734 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269265420 443258184 /nfs/dbraw/zinc/25/81/84/443258184.db2.gz ORRDKEVYGXHTCH-NJAFHUGGSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000414659721 319337674 /nfs/dbraw/zinc/33/76/74/319337674.db2.gz LOKLLPMJQHCWBE-AWEZNQCLSA-N 2 0 332.448 1.637 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)nc1 ZINC000414674615 319339960 /nfs/dbraw/zinc/33/99/60/319339960.db2.gz KVKCSRSLQKSNTA-CVEARBPZSA-N 2 0 346.475 1.768 20 0 EDADRP Cc1ccc(NC(=O)C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679066 319340497 /nfs/dbraw/zinc/34/04/97/319340497.db2.gz ZFNZBSNKONOBDE-HNNXBMFYSA-N 2 0 332.448 1.063 20 0 EDADRP COc1cc(Cl)ccc1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415084871 319346201 /nfs/dbraw/zinc/34/62/01/319346201.db2.gz RSNOBPQELOUNNK-GFCCVEGCSA-N 2 0 325.840 1.636 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415221999 319353192 /nfs/dbraw/zinc/35/31/92/319353192.db2.gz PSIROSHJODXLFG-CJNGLKHVSA-N 2 0 330.432 1.169 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000415749519 319369821 /nfs/dbraw/zinc/36/98/21/319369821.db2.gz RDDJAKKUXBXKFD-HZPDHXFCSA-N 2 0 344.459 1.063 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000415974280 319387092 /nfs/dbraw/zinc/38/70/92/319387092.db2.gz QRXYUOVDANJNMU-UHFFFAOYSA-N 2 0 333.480 1.554 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NCC[NH+]1CCSCC1 ZINC000416155091 319393007 /nfs/dbraw/zinc/39/30/07/319393007.db2.gz CHVCPSYDAQXYMN-UHFFFAOYSA-N 2 0 333.501 1.600 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000185877160 443273831 /nfs/dbraw/zinc/27/38/31/443273831.db2.gz KGGAKQPKOFUFTH-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+][C@@H](C)CCN3CC[NH+](C)CC3)cc12 ZINC000185881361 443275386 /nfs/dbraw/zinc/27/53/86/443275386.db2.gz PIRBMMCFBARTBH-AWEZNQCLSA-N 2 0 330.480 1.392 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[NH+](C)[C@H]2CCSC2)C[C@H](C)O1 ZINC000245994660 443261438 /nfs/dbraw/zinc/26/14/38/443261438.db2.gz XLVXKIPSXUPCLB-ZNMIVQPWSA-N 2 0 329.510 1.039 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000416815860 319463207 /nfs/dbraw/zinc/46/32/07/319463207.db2.gz OKZVCDKUMULNSQ-DYEKYZERSA-N 2 0 338.452 1.341 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@@H]12 ZINC000416816107 319463311 /nfs/dbraw/zinc/46/33/11/319463311.db2.gz IMMZDQUSPFBVKG-FPCVCCKLSA-N 2 0 332.448 1.795 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)CCCO1 ZINC000278420310 443324979 /nfs/dbraw/zinc/32/49/79/443324979.db2.gz GCTZMRHXFSBSOU-MRXNPFEDSA-N 2 0 333.476 1.979 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000267089013 443338354 /nfs/dbraw/zinc/33/83/54/443338354.db2.gz UHXWRWBBOQRKPG-GOSISDBHSA-N 2 0 332.492 1.754 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(CCN2CCOC[C@@H]2C)CC1 ZINC000191467393 443298144 /nfs/dbraw/zinc/29/81/44/443298144.db2.gz NKNFITXVQDEXHE-OTWHNJEPSA-N 2 0 338.540 1.198 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC[NH2+]1 ZINC000418897456 319529738 /nfs/dbraw/zinc/52/97/38/319529738.db2.gz HQXDACYSHLGUOZ-CABCVRRESA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000422739115 319735874 /nfs/dbraw/zinc/73/58/74/319735874.db2.gz KNVOZKYQLKMQPO-AAEUAGOBSA-N 2 0 340.265 1.767 20 0 EDADRP COC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423201306 319756378 /nfs/dbraw/zinc/75/63/78/319756378.db2.gz ICBJXIXESQSIOQ-OAHLLOKOSA-N 2 0 331.382 1.888 20 0 EDADRP CC(C)c1nc2c(n1C)CCN(C(=O)c1cc([C@@H]3CC[NH2+]C3)n[nH]1)C2 ZINC000279097889 443512411 /nfs/dbraw/zinc/51/24/11/443512411.db2.gz WZHHMJNJCPAUQJ-GFCCVEGCSA-N 2 0 342.447 1.542 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C12CCC2 ZINC000423393266 319770330 /nfs/dbraw/zinc/77/03/30/319770330.db2.gz QWXDOKVISBQJNX-BFHYXJOUSA-N 2 0 335.414 1.760 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000272280652 443578536 /nfs/dbraw/zinc/57/85/36/443578536.db2.gz BQMMRDNAWDCNRY-INIZCTEOSA-N 2 0 339.505 1.366 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000274390144 443605207 /nfs/dbraw/zinc/60/52/07/443605207.db2.gz PAXDNCZIYRJFQH-CABCVRRESA-N 2 0 345.443 1.108 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](C[NH3+])C(C)C)CC2)c1 ZINC000433166808 319973290 /nfs/dbraw/zinc/97/32/90/319973290.db2.gz YLPQLEQNPMJQHE-LJQANCHMSA-N 2 0 346.519 1.854 20 0 EDADRP CCSc1nnc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433167968 319974123 /nfs/dbraw/zinc/97/41/23/319974123.db2.gz KSYNADPYNGNJAU-UHFFFAOYSA-N 2 0 329.495 1.792 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000433350396 319976661 /nfs/dbraw/zinc/97/66/61/319976661.db2.gz FCIUNHYCKHKHJN-HKUYNNGSSA-N 2 0 346.519 1.822 20 0 EDADRP CCNC(=O)COc1ccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435437945 320017917 /nfs/dbraw/zinc/01/79/17/320017917.db2.gz NECULQNHIRIWPJ-INIZCTEOSA-N 2 0 349.475 1.784 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2C[C@]23CC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000444268284 320123571 /nfs/dbraw/zinc/12/35/71/320123571.db2.gz MHSJHLGIJNOTGJ-WMZOPIPTSA-N 2 0 334.508 1.053 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000451986577 320240103 /nfs/dbraw/zinc/24/01/03/320240103.db2.gz NMWAUDYWUMVYMR-UHFFFAOYSA-N 2 0 347.429 1.945 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCCCCC[NH+]2CCCC2)CCSC1 ZINC000454601652 320290662 /nfs/dbraw/zinc/29/06/62/320290662.db2.gz KBWDAMVTCFIDOO-KRWDZBQOSA-N 2 0 342.553 1.989 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000457631306 320332071 /nfs/dbraw/zinc/33/20/71/320332071.db2.gz DGRVHFJLWQNAJE-QGZVFWFLSA-N 2 0 339.528 1.137 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCC[NH2+]C1CCN(C2CC2)CC1 ZINC000459365457 320347495 /nfs/dbraw/zinc/34/74/95/320347495.db2.gz ANWCWBLWKBWOJU-UHFFFAOYSA-N 2 0 334.464 1.458 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000280844084 443756661 /nfs/dbraw/zinc/75/66/61/443756661.db2.gz MFXUHMQMEBBZLN-JQHSSLGASA-N 2 0 336.476 1.923 20 0 EDADRP O=C(CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)Nc1cccnc1 ZINC000530239975 320616965 /nfs/dbraw/zinc/61/69/65/320616965.db2.gz IPCBSSKZIRLCBD-QGZVFWFLSA-N 2 0 332.448 1.501 20 0 EDADRP CNC(=O)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000299188970 443978212 /nfs/dbraw/zinc/97/82/12/443978212.db2.gz CIYGTVSJKVVRHM-GDBMZVCRSA-N 2 0 332.448 1.332 20 0 EDADRP CC[N@H+](CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000293495649 444034044 /nfs/dbraw/zinc/03/40/44/444034044.db2.gz UAMHINZPDXHCNJ-SFHVURJKSA-N 2 0 347.503 1.732 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000285540683 444022734 /nfs/dbraw/zinc/02/27/34/444022734.db2.gz BVMSXQOGFSMESB-HZPDHXFCSA-N 2 0 348.491 1.080 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278754 321038300 /nfs/dbraw/zinc/03/83/00/321038300.db2.gz SHZSLVGALNYHOC-JKSUJKDBSA-N 2 0 345.443 1.496 20 0 EDADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561412519 321040409 /nfs/dbraw/zinc/04/04/09/321040409.db2.gz KNOFGFFRNMWKOV-WRSVWVKZSA-N 2 0 336.480 1.607 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000562365076 321053946 /nfs/dbraw/zinc/05/39/46/321053946.db2.gz HCSGEVPKPOXMSX-IAGOWNOFSA-N 2 0 331.460 1.400 20 0 EDADRP C[C@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCN1CCO ZINC000562772874 321076067 /nfs/dbraw/zinc/07/60/67/321076067.db2.gz ATOIBPLCKADVLM-LBPRGKRZSA-N 2 0 336.411 1.002 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CCn2ccnc2C1 ZINC000562814287 321078042 /nfs/dbraw/zinc/07/80/42/321078042.db2.gz YWXOCERRENNCNP-OWCLPIDISA-N 2 0 325.416 1.253 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000562817424 321078575 /nfs/dbraw/zinc/07/85/75/321078575.db2.gz QTEFNTDLIYTUMJ-ARFHVFGLSA-N 2 0 326.485 1.127 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC[N@@H+]1CCOC ZINC000562817427 321078643 /nfs/dbraw/zinc/07/86/43/321078643.db2.gz QTEFNTDLIYTUMJ-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(=O)[nH]1 ZINC000562960207 321084149 /nfs/dbraw/zinc/08/41/49/321084149.db2.gz GCZBVADNAJNYMR-QAPCUYQASA-N 2 0 326.400 1.836 20 0 EDADRP CC(C)C[C@@H](CNC(=O)COC1C[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000563074554 321093707 /nfs/dbraw/zinc/09/37/07/321093707.db2.gz GHVQVWNMHAAAEM-RDJZCZTQSA-N 2 0 333.476 1.857 20 0 EDADRP CC(C)n1ccnc1CN1CCC[N@H+](C[C@@H]2CCCNC2=O)CC1 ZINC000564421800 321130285 /nfs/dbraw/zinc/13/02/85/321130285.db2.gz OIALQPCBOPAAGO-INIZCTEOSA-N 2 0 333.480 1.498 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000564956957 321160309 /nfs/dbraw/zinc/16/03/09/321160309.db2.gz VSTGJBLLZCVNBA-ZIFCJYIRSA-N 2 0 337.508 1.996 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)nn1 ZINC000565538020 321190154 /nfs/dbraw/zinc/19/01/54/321190154.db2.gz HYHCWWVKUXINMM-UHFFFAOYSA-N 2 0 349.464 1.193 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000566176486 321221251 /nfs/dbraw/zinc/22/12/51/321221251.db2.gz NPBXDICCWJFMRZ-CABCVRRESA-N 2 0 325.522 1.852 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567846966 321262626 /nfs/dbraw/zinc/26/26/26/321262626.db2.gz YDNWDPZQUJUBQY-UNGSAITNSA-N 2 0 339.480 1.018 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1)c1ccccc1 ZINC000568392669 321289518 /nfs/dbraw/zinc/28/95/18/321289518.db2.gz VCSUAMJCBXEJCQ-SFHVURJKSA-N 2 0 330.476 1.176 20 0 EDADRP Cc1ncc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C2CC2)n1 ZINC000568587047 321297803 /nfs/dbraw/zinc/29/78/03/321297803.db2.gz BGXBPLKSOBQVEY-UHFFFAOYSA-N 2 0 334.468 1.620 20 0 EDADRP [NH3+]C1(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000568624563 321299706 /nfs/dbraw/zinc/29/97/06/321299706.db2.gz PDEKZWPOXJUZTH-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)NCc3ccccc3F)CC2)C1 ZINC000569218252 321321629 /nfs/dbraw/zinc/32/16/29/321321629.db2.gz XSWFMYWSVQHGHJ-AEFFLSMTSA-N 2 0 349.450 1.660 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000569471268 321326429 /nfs/dbraw/zinc/32/64/29/321326429.db2.gz SBEICJJHHDPTEQ-HNNXBMFYSA-N 2 0 331.460 1.924 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000570663758 321352902 /nfs/dbraw/zinc/35/29/02/321352902.db2.gz XMYFFQDZYAHTPL-HNNXBMFYSA-N 2 0 332.448 1.192 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000571031744 321368506 /nfs/dbraw/zinc/36/85/06/321368506.db2.gz WSJJCGNOIKIIEX-ZSNVMCELSA-N 2 0 338.496 1.098 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571675032 321397002 /nfs/dbraw/zinc/39/70/02/321397002.db2.gz AJUKKMNSOFXHFK-KGLIPLIRSA-N 2 0 341.839 1.339 20 0 EDADRP C[C@]1(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)NC(=O)NC1=O ZINC000574697793 321497114 /nfs/dbraw/zinc/49/71/14/321497114.db2.gz PXGDOIVEILUGBQ-LJQANCHMSA-N 2 0 342.443 1.142 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])CCC(=O)OC)cc1 ZINC000289610276 444181044 /nfs/dbraw/zinc/18/10/44/444181044.db2.gz AQPLHEIJFZFELE-INIZCTEOSA-N 2 0 335.448 1.425 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309929943 444290353 /nfs/dbraw/zinc/29/03/53/444290353.db2.gz VMYQSSVYXGIMFH-DOTOQJQBSA-N 2 0 339.505 1.378 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CCC[NH+]2CCOC)C1 ZINC000337692475 444355760 /nfs/dbraw/zinc/35/57/60/444355760.db2.gz VSKYLTGQIAPNAZ-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)[NH+]1CCN(C)CC1 ZINC000325244067 444363488 /nfs/dbraw/zinc/36/34/88/444363488.db2.gz YLZPLCWDABAYMZ-KURKYZTESA-N 2 0 338.540 1.400 20 0 EDADRP CN1CCC(CNC(=O)NCC2=CC[NH2+]CC2)([NH+]2CCCCC2)CC1 ZINC000578504954 321785667 /nfs/dbraw/zinc/78/56/67/321785667.db2.gz CYQWJRYPRIIKGH-UHFFFAOYSA-N 2 0 349.523 1.156 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1csc(CC[NH3+])n1 ZINC000320800302 444332499 /nfs/dbraw/zinc/33/24/99/444332499.db2.gz PIPCUGVCVMGHLF-UHFFFAOYSA-N 2 0 334.445 1.967 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000327526546 444383431 /nfs/dbraw/zinc/38/34/31/444383431.db2.gz IYDJLHOLWFEYOR-NEWSRXKRSA-N 2 0 346.519 1.711 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CCSC1 ZINC000298008143 444385782 /nfs/dbraw/zinc/38/57/82/444385782.db2.gz QGZOFCXUDPLGSZ-MRXNPFEDSA-N 2 0 333.461 1.571 20 0 EDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N(C3CC3)[C@H]2c2ccnn2C)CCN1C ZINC000329003092 444441334 /nfs/dbraw/zinc/44/13/34/444441334.db2.gz HJQQOHBONXLORR-NPNMTCQASA-N 2 0 345.491 1.687 20 0 EDADRP CCOCc1ccccc1CNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000579960723 321992352 /nfs/dbraw/zinc/99/23/52/321992352.db2.gz MMPFTRPOPAODNC-UHFFFAOYSA-N 2 0 333.476 1.900 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCCCC[NH2+]3)c2)CC1 ZINC000580332206 322038920 /nfs/dbraw/zinc/03/89/20/322038920.db2.gz JIHJOQYDTFOUGS-GOSISDBHSA-N 2 0 330.476 1.905 20 0 EDADRP C[C@H](NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000580420867 322048190 /nfs/dbraw/zinc/04/81/90/322048190.db2.gz XKEQTRSTQZBBDJ-RDJZCZTQSA-N 2 0 345.491 1.985 20 0 EDADRP COC[C@]1(CN[C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708957 322085100 /nfs/dbraw/zinc/08/51/00/322085100.db2.gz VDAGWBCSZHWONC-UHOSZYNNSA-N 2 0 331.460 1.601 20 0 EDADRP Cc1ccc(C(=O)NCC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1F ZINC000581245769 322153666 /nfs/dbraw/zinc/15/36/66/322153666.db2.gz WHNVBFDGOVNEGO-CGTJXYLNSA-N 2 0 349.450 1.611 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1Cc1cn(Cc3cccnc3)nn1)CC[NH2+]CC2 ZINC000581423910 322175348 /nfs/dbraw/zinc/17/53/48/322175348.db2.gz XOIPVZPZILKUHT-HNNXBMFYSA-N 2 0 326.448 1.685 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC000581424911 322175575 /nfs/dbraw/zinc/17/55/75/322175575.db2.gz NSMYDTABPDBYKQ-HKUYNNGSSA-N 2 0 349.519 1.598 20 0 EDADRP C[C@H](CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)n1ccnc1 ZINC000581730798 322214742 /nfs/dbraw/zinc/21/47/42/322214742.db2.gz VSKBMWLTOXUTNH-SJORKVTESA-N 2 0 334.464 1.938 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000340830787 444532261 /nfs/dbraw/zinc/53/22/61/444532261.db2.gz ZZDROTPJWAEEHY-INIZCTEOSA-N 2 0 328.501 1.184 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1)C(=O)N1CCNC1=O ZINC000329383530 444558203 /nfs/dbraw/zinc/55/82/03/444558203.db2.gz OWWDINBSKHROIP-RYUDHWBXSA-N 2 0 333.436 1.230 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000340992585 444620168 /nfs/dbraw/zinc/62/01/68/444620168.db2.gz LAQVWUNSXSHEBF-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC[N@@H+]1CCOC ZINC000342352517 444648666 /nfs/dbraw/zinc/64/86/66/444648666.db2.gz XNAFIIFNBZJIMF-BFYDXBDKSA-N 2 0 338.496 1.221 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@@H]2C)CC[N@@H+]1CCOC ZINC000342352519 444648906 /nfs/dbraw/zinc/64/89/06/444648906.db2.gz XNAFIIFNBZJIMF-UXLLHSPISA-N 2 0 338.496 1.221 20 0 EDADRP CC1CC[NH+](C2CCC(NC(=O)NC[C@H]3C[NH2+]CCO3)CC2)CC1 ZINC000333432682 444668603 /nfs/dbraw/zinc/66/86/03/444668603.db2.gz UVIXOAAYLBEMLH-OFLPRAFFSA-N 2 0 338.496 1.317 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC000343868873 444636629 /nfs/dbraw/zinc/63/66/29/444636629.db2.gz HBHHERUJMHRBBJ-HNNXBMFYSA-N 2 0 342.528 1.314 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343973810 444702631 /nfs/dbraw/zinc/70/26/31/444702631.db2.gz GYXFBBGFSXMNAN-MISYRCLQSA-N 2 0 331.504 1.548 20 0 EDADRP C[C@]1(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC[NH2+]C1 ZINC000333859185 444703416 /nfs/dbraw/zinc/70/34/16/444703416.db2.gz RPCRWZHKRNFTJU-NUJGCVRESA-N 2 0 338.496 1.304 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341199320 444724599 /nfs/dbraw/zinc/72/45/99/444724599.db2.gz KCEMMDLANOIXCL-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC3([NH3+])CCC3)cc2)CC1 ZINC000342581114 444755208 /nfs/dbraw/zinc/75/52/08/444755208.db2.gz FRIHWFSBNLIRLE-UHFFFAOYSA-N 2 0 330.476 1.828 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000342708844 444827147 /nfs/dbraw/zinc/82/71/47/444827147.db2.gz OFVRYDASBFWIGX-GOSISDBHSA-N 2 0 345.487 1.679 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N(C)CC(F)(F)F ZINC000336923642 444854942 /nfs/dbraw/zinc/85/49/42/444854942.db2.gz SQYQDGAYTVEEDC-CYBMUJFWSA-N 2 0 338.418 1.948 20 0 EDADRP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@@H](C)N(C3CC3)C2)CC(=O)N1C ZINC000330178943 444875171 /nfs/dbraw/zinc/87/51/71/444875171.db2.gz FAMQQXXROLUPSF-VHKJUGFYSA-N 2 0 345.491 1.524 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000341538055 444881792 /nfs/dbraw/zinc/88/17/92/444881792.db2.gz XXFGTGJSQPWLDN-PNBKFKSVSA-N 2 0 338.496 1.268 20 0 EDADRP CCc1oc(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000338941736 444947095 /nfs/dbraw/zinc/94/70/95/444947095.db2.gz MPSJJBMPQQVXKW-AWEZNQCLSA-N 2 0 337.464 1.744 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000337139361 444958932 /nfs/dbraw/zinc/95/89/32/444958932.db2.gz PXPOSEGXXTYBHH-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NCCCC[N@H+]1CCC[C@H]1CO)[C@H]1CCC[NH+]1C1CCCC1 ZINC000342950673 444961860 /nfs/dbraw/zinc/96/18/60/444961860.db2.gz MDNALBKRSOEDIN-ZWKOTPCHSA-N 2 0 337.508 1.747 20 0 EDADRP CC[NH+](C)CCNc1cc(NCC[N@@H+](C)CC)nc2cnccc21 ZINC000341802997 445009355 /nfs/dbraw/zinc/00/93/55/445009355.db2.gz XUEKLLGOHZSZQN-UHFFFAOYSA-N 2 0 330.480 2.357 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000341936712 445081673 /nfs/dbraw/zinc/08/16/73/445081673.db2.gz ANUIONSRGBNMPT-INWMFGNUSA-N 2 0 326.510 1.206 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000341943671 445085874 /nfs/dbraw/zinc/08/58/74/445085874.db2.gz ZNYVJOXGQHQWPS-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CCN1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1c1ncc[nH]1 ZINC000337459030 445090196 /nfs/dbraw/zinc/09/01/96/445090196.db2.gz JILNAKOUGKLWEY-GOSISDBHSA-N 2 0 348.539 1.504 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@H]1[NH+](C)C ZINC000344757019 445140052 /nfs/dbraw/zinc/14/00/52/445140052.db2.gz IHCBRTCCHYYMRK-BZUAXINKSA-N 2 0 341.521 1.134 20 0 EDADRP COC(=O)[C@@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000337485526 445101366 /nfs/dbraw/zinc/10/13/66/445101366.db2.gz YLYGGCFTMVBGTB-IAGOWNOFSA-N 2 0 325.497 1.534 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000339562886 445150514 /nfs/dbraw/zinc/15/05/14/445150514.db2.gz KQMQXZWFSBYNBU-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)[C@@H](C)C1 ZINC000337593604 445156935 /nfs/dbraw/zinc/15/69/35/445156935.db2.gz JGQPJOARQAYUJB-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343397055 445215339 /nfs/dbraw/zinc/21/53/39/445215339.db2.gz ISDLRWTWCKMINH-AOIWGVFYSA-N 2 0 349.523 1.361 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]([NH3+])CC(F)F)([NH+]2CCCCC2)CC1 ZINC000345693831 445196785 /nfs/dbraw/zinc/19/67/85/445196785.db2.gz OZZXNJOVQUXABH-ZDUSSCGKSA-N 2 0 332.439 1.035 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CCC[N@@H+]1C ZINC000345735018 445197638 /nfs/dbraw/zinc/19/76/38/445197638.db2.gz CYUWFZCGILCUQB-GDBMZVCRSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H](CN1C[C@H]2CCC[NH+]2C[C@@H]1C)CN1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000346645775 445221478 /nfs/dbraw/zinc/22/14/78/445221478.db2.gz PXJHLQPBRHDSSQ-VYJAJWGXSA-N 2 0 334.552 1.960 20 0 EDADRP CSC[C@H](O)C[N@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346936984 445228176 /nfs/dbraw/zinc/22/81/76/445228176.db2.gz SHVOMRIEUSLSBL-LZWOXQAQSA-N 2 0 326.510 1.459 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCOC ZINC000347064204 445230628 /nfs/dbraw/zinc/23/06/28/445230628.db2.gz FHIKECDBXCUQJZ-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1ccccc1CCNC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357071342 445406898 /nfs/dbraw/zinc/40/68/98/445406898.db2.gz GLWBVJQDSKTUIC-IBGZPJMESA-N 2 0 329.488 1.975 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21)c1ccccc1 ZINC000354789813 445390668 /nfs/dbraw/zinc/39/06/68/445390668.db2.gz MABFFPFBIMAYNN-GUDVDZBRSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362552361 445435536 /nfs/dbraw/zinc/43/55/36/445435536.db2.gz KZSMKKDGXOTEAS-LJISPDSOSA-N 2 0 333.480 1.583 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566093 445443248 /nfs/dbraw/zinc/44/32/48/445443248.db2.gz FNYYNFBIUKENMP-QLFBSQMISA-N 2 0 347.507 1.973 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)ccn1 ZINC000355444694 445460781 /nfs/dbraw/zinc/46/07/81/445460781.db2.gz NHDGEYWRVRBFKL-QGZVFWFLSA-N 2 0 348.491 1.903 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000357301987 445536318 /nfs/dbraw/zinc/53/63/18/445536318.db2.gz DIDMIXGEGMRRHX-SFHVURJKSA-N 2 0 348.491 1.052 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)C1 ZINC000357258344 445511802 /nfs/dbraw/zinc/51/18/02/445511802.db2.gz NZMYEIVOGUUPAO-AWEZNQCLSA-N 2 0 345.451 1.182 20 0 EDADRP CCOC(=O)[C@@H](CC(C)C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000360019618 445530923 /nfs/dbraw/zinc/53/09/23/445530923.db2.gz ZSJRBGXGUZLGMN-OAHLLOKOSA-N 2 0 349.479 1.642 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C)c1OC ZINC000349071425 445494304 /nfs/dbraw/zinc/49/43/04/445494304.db2.gz GHHHPBNGGWADAN-INIZCTEOSA-N 2 0 337.512 1.585 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000357244938 445504198 /nfs/dbraw/zinc/50/41/98/445504198.db2.gz SXYDWDZQARKGPR-CRAIPNDOSA-N 2 0 331.460 1.707 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CCC[C@@H]2C)C1 ZINC000357716657 445578556 /nfs/dbraw/zinc/57/85/56/445578556.db2.gz OPUHQVHUCNZNRA-OKZBNKHCSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000360121668 445578658 /nfs/dbraw/zinc/57/86/58/445578658.db2.gz AHMYEJYWILRJSK-JKSUJKDBSA-N 2 0 328.501 1.467 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000360037553 445539634 /nfs/dbraw/zinc/53/96/34/445539634.db2.gz DHRLVKGVWYEBMQ-AZUAARDMSA-N 2 0 349.519 1.834 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362768217 445540652 /nfs/dbraw/zinc/54/06/52/445540652.db2.gz CZHPNAAPUULVNE-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP COC(=O)c1csc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000353454874 445609996 /nfs/dbraw/zinc/60/99/96/445609996.db2.gz MYNDCJNDBREHPL-ZDUSSCGKSA-N 2 0 325.478 1.823 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+]1CCN(C)CC1 ZINC000358466601 445621565 /nfs/dbraw/zinc/62/15/65/445621565.db2.gz YCAQAZXEUHAWAX-DLBZAZTESA-N 2 0 341.544 1.286 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000360210402 445630420 /nfs/dbraw/zinc/63/04/20/445630420.db2.gz XVTMHMXZWLFECT-IAGOWNOFSA-N 2 0 337.439 1.654 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353414787 445594029 /nfs/dbraw/zinc/59/40/29/445594029.db2.gz LGWKUWKLNGQZFY-IRXDYDNUSA-N 2 0 325.497 1.460 20 0 EDADRP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000360248144 445654803 /nfs/dbraw/zinc/65/48/03/445654803.db2.gz GECHXGAIIIFTBC-INMHGKMJSA-N 2 0 342.553 1.843 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000358581129 445660615 /nfs/dbraw/zinc/66/06/15/445660615.db2.gz AHFNWRWHBLMHGA-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000356216431 445679628 /nfs/dbraw/zinc/67/96/28/445679628.db2.gz BEQGUQZXJSSZQT-IAGOWNOFSA-N 2 0 342.528 1.574 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000349914569 445719727 /nfs/dbraw/zinc/71/97/27/445719727.db2.gz TVMHSEVHKJLVSO-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356237476 445692266 /nfs/dbraw/zinc/69/22/66/445692266.db2.gz QKHGYJGQXADMFK-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669826 445700535 /nfs/dbraw/zinc/70/05/35/445700535.db2.gz JFNWKYKRCHSYNP-MRXNPFEDSA-N 2 0 333.476 1.905 20 0 EDADRP CCOC(=O)[C@H](C)N(C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000353676488 445702253 /nfs/dbraw/zinc/70/22/53/445702253.db2.gz NXGLRYXEXSDUFM-HNNXBMFYSA-N 2 0 348.447 1.004 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CC[C@H](CO)O2)CC1 ZINC000353683397 445705057 /nfs/dbraw/zinc/70/50/57/445705057.db2.gz FMAACUIELQPHEB-QZTJIDSGSA-N 2 0 333.476 1.458 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1C[C@H]2CCC[C@H]21 ZINC000349966352 445736691 /nfs/dbraw/zinc/73/66/91/445736691.db2.gz MKFCYAKUIZYWPA-SJLPKXTDSA-N 2 0 343.475 1.788 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](COc3ccccc3)C2)CC1 ZINC000356352570 445748754 /nfs/dbraw/zinc/74/87/54/445748754.db2.gz ULDXOBFQKBAPSF-QGZVFWFLSA-N 2 0 345.487 1.988 20 0 EDADRP CC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCOC1 ZINC000361111707 445749442 /nfs/dbraw/zinc/74/94/42/445749442.db2.gz UXNLWASZUXUWKL-MSOLQXFVSA-N 2 0 347.507 1.784 20 0 EDADRP CC[N@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1)CC(C)C ZINC000358750062 445756438 /nfs/dbraw/zinc/75/64/38/445756438.db2.gz KXWSLRJVMQEUOR-HNNXBMFYSA-N 2 0 340.512 1.911 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCC1 ZINC000361288020 445758408 /nfs/dbraw/zinc/75/84/08/445758408.db2.gz NSKMWYQLUMDNQM-ULQDDVLXSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353797027 445760096 /nfs/dbraw/zinc/76/00/96/445760096.db2.gz WSKOWPXJINKRPQ-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]3COCCN3C3CCCC3)CC[C@@H]21 ZINC000356451672 445797041 /nfs/dbraw/zinc/79/70/41/445797041.db2.gz XFKBOXJXXOTFIP-NJAFHUGGSA-N 2 0 335.492 1.573 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC(C)CC2)C1 ZINC000350256282 445801267 /nfs/dbraw/zinc/80/12/67/445801267.db2.gz SDECQXCGKQGBLD-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000363457270 445812306 /nfs/dbraw/zinc/81/23/06/445812306.db2.gz RRKFNZKRQLVIMD-UYAOXDASSA-N 2 0 331.504 1.854 20 0 EDADRP C[C@@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000356483654 445815930 /nfs/dbraw/zinc/81/59/30/445815930.db2.gz UOXBKCDVIOBKOU-INIZCTEOSA-N 2 0 348.491 1.903 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000356534326 445846567 /nfs/dbraw/zinc/84/65/67/445846567.db2.gz PRTWJWLBDDKCSW-UHFFFAOYSA-N 2 0 349.479 1.104 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)/C=C/C[NH+](C)C)[C@H](C)C2)s1 ZINC000363550646 445855503 /nfs/dbraw/zinc/85/55/03/445855503.db2.gz DXNBHRKQRUFDCO-NHXPHFSRSA-N 2 0 336.505 1.896 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350620289 445857172 /nfs/dbraw/zinc/85/71/72/445857172.db2.gz VEQCVMRYIFNMHZ-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359047220 445908840 /nfs/dbraw/zinc/90/88/40/445908840.db2.gz VYMPYNFCWLQEFP-DLBZAZTESA-N 2 0 342.528 1.907 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000364334863 445910990 /nfs/dbraw/zinc/91/09/90/445910990.db2.gz CNRQNETYUZAGLG-KFWWJZLASA-N 2 0 333.436 1.510 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCc2nc[nH]c21 ZINC000366000559 445953542 /nfs/dbraw/zinc/95/35/42/445953542.db2.gz MDIYZQJWOAPRLM-OAHLLOKOSA-N 2 0 335.496 1.562 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000361804261 445958766 /nfs/dbraw/zinc/95/87/66/445958766.db2.gz PMJTVYJVYCGNHJ-BBWFWOEESA-N 3 0 337.512 1.086 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1COCCN1CC1CCC1 ZINC000365024315 445978369 /nfs/dbraw/zinc/97/83/69/445978369.db2.gz BQYFKXQSUMRSPO-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP COCC[C@@]1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000373091808 446022016 /nfs/dbraw/zinc/02/20/16/446022016.db2.gz XUFWNQRPQRAMNJ-IBGZPJMESA-N 2 0 331.460 1.177 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000583021613 325982100 /nfs/dbraw/zinc/98/21/00/325982100.db2.gz HYJBAGUEYKIGFU-ZWKOTPCHSA-N 2 0 333.476 1.676 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CCC2CC[NH+](C)CC2)c1 ZINC000583139050 326010032 /nfs/dbraw/zinc/01/00/32/326010032.db2.gz UDQAWDDJPLEVEC-GOSISDBHSA-N 2 0 334.460 1.950 20 0 EDADRP [NH3+]C1(CNC(=O)c2ccc[nH]c2=O)CC[NH+](Cc2ccccc2)CC1 ZINC000583933767 326168141 /nfs/dbraw/zinc/16/81/41/326168141.db2.gz UKZWNZQJLSPCCC-UHFFFAOYSA-N 2 0 340.427 1.511 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC2(CCO2)CC1)c1ccccc1 ZINC000369327876 446075530 /nfs/dbraw/zinc/07/55/30/446075530.db2.gz XEOVOEXQOXERMJ-QGZVFWFLSA-N 2 0 331.460 1.660 20 0 EDADRP O=S1(=O)CC[C@H]([NH2+]C2CCN(Cc3cccc4[nH]ccc43)CC2)C1 ZINC000365232294 446091568 /nfs/dbraw/zinc/09/15/68/446091568.db2.gz CIUCSPRLMZIKNR-INIZCTEOSA-N 2 0 347.484 1.909 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3nc4cccnc4s3)C2)CC1 ZINC000365238666 446095793 /nfs/dbraw/zinc/09/57/93/446095793.db2.gz VMOZBTUUNRGGTK-LBPRGKRZSA-N 2 0 345.472 1.590 20 0 EDADRP Cc1noc(C2CCC([NH2+]C[C@@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000366492981 446236551 /nfs/dbraw/zinc/23/65/51/446236551.db2.gz XHLVNEDYCGTNCM-ODIFPOPNSA-N 2 0 335.496 1.877 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(S(=O)(=O)CC[NH+]3CCCC3)C2)CC1 ZINC000366502166 446240737 /nfs/dbraw/zinc/24/07/37/446240737.db2.gz DMUMSIJEKRFKIL-INIZCTEOSA-N 2 0 329.510 1.076 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCO[C@@H]1C ZINC000359526525 446276373 /nfs/dbraw/zinc/27/63/73/446276373.db2.gz VHOYMHCZVQARGA-BRWVUGGUSA-N 2 0 325.497 1.676 20 0 EDADRP CCc1ccc([C@H](CO)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000359629333 446326823 /nfs/dbraw/zinc/32/68/23/446326823.db2.gz WPJDNCGGCMFYPC-IBGZPJMESA-N 2 0 345.487 1.615 20 0 EDADRP C[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417337423 446346113 /nfs/dbraw/zinc/34/61/13/446346113.db2.gz IQGDMHMPIRCFAC-OAHLLOKOSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417334599 446346218 /nfs/dbraw/zinc/34/62/18/446346218.db2.gz FQBXVBQZIHSEHG-PMPSAXMXSA-N 2 0 330.476 1.825 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000370602608 446352850 /nfs/dbraw/zinc/35/28/50/446352850.db2.gz PMEDCYPGLHIUHN-SFHVURJKSA-N 2 0 349.475 1.352 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)ccc1F ZINC000417654200 446368708 /nfs/dbraw/zinc/36/87/08/446368708.db2.gz CBCRIFVGVPZLCK-AWEZNQCLSA-N 2 0 344.381 1.684 20 0 EDADRP Cc1cc(N2CCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)nc(C)n1 ZINC000365859698 446375140 /nfs/dbraw/zinc/37/51/40/446375140.db2.gz XXHHSOISOQHRJL-KRWDZBQOSA-N 2 0 345.491 1.910 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417935267 446391444 /nfs/dbraw/zinc/39/14/44/446391444.db2.gz GOLPQBSTMNZKBP-OWSLCNJRSA-N 2 0 328.460 1.683 20 0 EDADRP CC(C)(CNC(=O)NCCC[NH2+]Cc1cccnc1)C[NH+]1CCCC1 ZINC000418070488 446429650 /nfs/dbraw/zinc/42/96/50/446429650.db2.gz UGSXDZAHIJKODJ-UHFFFAOYSA-N 2 0 347.507 1.983 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132837 446434522 /nfs/dbraw/zinc/43/45/22/446434522.db2.gz VAXJNJDOENDRFV-DOTOQJQBSA-N 2 0 336.480 1.269 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2([NH3+])Cc3ccccc3C2)C1 ZINC000370776263 446435746 /nfs/dbraw/zinc/43/57/46/446435746.db2.gz ZRVMMWXLBCSRSE-HOTGVXAUSA-N 2 0 329.488 1.967 20 0 EDADRP OCCCN1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423145321 446440749 /nfs/dbraw/zinc/44/07/49/446440749.db2.gz KCACRLDUYPRQLA-KPFFTGBYSA-N 2 0 345.487 1.679 20 0 EDADRP C[C@@H](CNC(=O)C(C)(C)CN1CCn2ccnc2C1)C[NH+]1CCCC1 ZINC000374897657 446443821 /nfs/dbraw/zinc/44/38/21/446443821.db2.gz MTMSYZXFMPVBLX-INIZCTEOSA-N 2 0 347.507 1.573 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996158 446410238 /nfs/dbraw/zinc/41/02/38/446410238.db2.gz QOEGOABRBOPZOB-VVLHAWIVSA-N 2 0 334.508 1.890 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418001756 446412540 /nfs/dbraw/zinc/41/25/40/446412540.db2.gz XCWODZHDHLGINT-KRWDZBQOSA-N 2 0 348.491 1.380 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418025186 446419311 /nfs/dbraw/zinc/41/93/11/446419311.db2.gz UQUZQNNJJCXEAH-JKSUJKDBSA-N 2 0 326.485 1.032 20 0 EDADRP O=C1[C@@H](N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000420295024 446457433 /nfs/dbraw/zinc/45/74/33/446457433.db2.gz BUZABHWKGRTLNI-HKUYNNGSSA-N 2 0 342.487 1.409 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000418213291 446460031 /nfs/dbraw/zinc/46/00/31/446460031.db2.gz VYEIRYZSCLGATJ-PBHICJAKSA-N 2 0 336.480 1.984 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCS(=O)(=O)N(C)C)C1 ZINC000367013542 446461584 /nfs/dbraw/zinc/46/15/84/446461584.db2.gz AKJUWYFDWLJJCY-CVEARBPZSA-N 2 0 331.526 1.464 20 0 EDADRP C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1C[NH3+] ZINC000420298318 446462063 /nfs/dbraw/zinc/46/20/63/446462063.db2.gz ZWMDDUDHDHFZTC-BPQIPLTHSA-N 2 0 332.492 1.465 20 0 EDADRP CN(C(=O)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000418228848 446465276 /nfs/dbraw/zinc/46/52/76/446465276.db2.gz BYFKEIWGZYIKPU-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418276613 446481417 /nfs/dbraw/zinc/48/14/17/446481417.db2.gz GSLKHPRBRWJXAX-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@@H](C)O1 ZINC000423298762 446478528 /nfs/dbraw/zinc/47/85/28/446478528.db2.gz AGENIPXWGGOXDM-BFYDXBDKSA-N 2 0 349.479 1.037 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000376406217 446479178 /nfs/dbraw/zinc/47/91/78/446479178.db2.gz CWDWKMDYFXUBSG-HSALFYBXSA-N 3 0 334.552 1.819 20 0 EDADRP C[C@@H]1CN(CCN(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318442 446484007 /nfs/dbraw/zinc/48/40/07/446484007.db2.gz WDHFYVVETKEXJF-SJORKVTESA-N 2 0 347.507 1.085 20 0 EDADRP COCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321942 446487230 /nfs/dbraw/zinc/48/72/30/446487230.db2.gz DGSPOZUYFVQNII-RTBURBONSA-N 2 0 345.487 1.771 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420325524 446491360 /nfs/dbraw/zinc/49/13/60/446491360.db2.gz IQUGQJIPQWWZJK-HZPDHXFCSA-N 2 0 326.448 1.526 20 0 EDADRP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423336446 446492378 /nfs/dbraw/zinc/49/23/78/446492378.db2.gz SSYSVCXTJFAJHW-WMLDXEAASA-N 2 0 339.505 1.977 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423341604 446496141 /nfs/dbraw/zinc/49/61/41/446496141.db2.gz WPSQMYMZMJPEST-IUODEOHRSA-N 2 0 347.488 1.971 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326248 446492963 /nfs/dbraw/zinc/49/29/63/446492963.db2.gz JQKWRWDRICLPTK-HUUCEWRRSA-N 2 0 334.464 1.173 20 0 EDADRP COc1c(C)cnc(C[NH+]2CCC(N(C)C(=O)NCC[NH3+])CC2)c1C ZINC000418311189 446493893 /nfs/dbraw/zinc/49/38/93/446493893.db2.gz ZZTMMNQHXLLAPG-UHFFFAOYSA-N 2 0 349.479 1.272 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418330548 446501886 /nfs/dbraw/zinc/50/18/86/446501886.db2.gz QDZJMAMTMQNWMK-UHFFFAOYSA-N 2 0 347.507 1.935 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000367072473 446501972 /nfs/dbraw/zinc/50/19/72/446501972.db2.gz GLTYHLRHWNLWCZ-YYIAUSFCSA-N 2 0 335.492 1.382 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420333264 446503471 /nfs/dbraw/zinc/50/34/71/446503471.db2.gz SNERDOVHDOBSNI-IPELMVKDSA-N 2 0 345.487 1.862 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@H]21 ZINC000420334394 446504100 /nfs/dbraw/zinc/50/41/00/446504100.db2.gz UISVRYLMXBZGAV-XDNAFOTISA-N 2 0 335.492 1.478 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418365902 446515427 /nfs/dbraw/zinc/51/54/27/446515427.db2.gz KCGRHCGDMLTDML-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396445 446516089 /nfs/dbraw/zinc/51/60/89/446516089.db2.gz RPBDHSKCJSWBHC-XHDPSFHLSA-N 3 0 345.413 1.335 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC1 ZINC000420383086 446558432 /nfs/dbraw/zinc/55/84/32/446558432.db2.gz DZQNLMQCIDANPB-ZWKOTPCHSA-N 2 0 348.466 1.153 20 0 EDADRP Cc1cc(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)[nH]n1 ZINC000420382806 446558841 /nfs/dbraw/zinc/55/88/41/446558841.db2.gz YRSDWUJJNWRUHU-HKUYNNGSSA-N 2 0 328.460 1.828 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000418480913 446559581 /nfs/dbraw/zinc/55/95/81/446559581.db2.gz CXCPTFOPHYNRDX-HNNXBMFYSA-N 2 0 346.475 1.713 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418487109 446562660 /nfs/dbraw/zinc/56/26/60/446562660.db2.gz HKZUTSMGYSSTPL-MWABVPJASA-N 2 0 328.460 1.995 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423403588 446519669 /nfs/dbraw/zinc/51/96/69/446519669.db2.gz YPOCYBPFNJTGFI-IRXDYDNUSA-N 2 0 333.476 1.940 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418496775 446566667 /nfs/dbraw/zinc/56/66/67/446566667.db2.gz GHAPPQXHYGOQFS-ROUUACIJSA-N 2 0 341.459 1.042 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418398163 446528391 /nfs/dbraw/zinc/52/83/91/446528391.db2.gz KGNYVQYGBPHZOD-ROUUACIJSA-N 2 0 345.491 1.815 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423428235 446532617 /nfs/dbraw/zinc/53/26/17/446532617.db2.gz OENAXCHGGMSSSN-CABCVRRESA-N 2 0 333.480 1.871 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCC(C)(C)[NH3+] ZINC000418410820 446534404 /nfs/dbraw/zinc/53/44/04/446534404.db2.gz CYIDTIYWAOEWSC-SFHVURJKSA-N 2 0 334.464 1.002 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000423430982 446535140 /nfs/dbraw/zinc/53/51/40/446535140.db2.gz LDOICEMAWMTBNL-MLGOLLRUSA-N 2 0 325.478 1.819 20 0 EDADRP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000423437925 446538134 /nfs/dbraw/zinc/53/81/34/446538134.db2.gz UPADZKOJVZXJNV-NEWSRXKRSA-N 2 0 327.428 1.544 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H](C[NH3+])C(C)C)CCCC2)CC1 ZINC000433154351 446539232 /nfs/dbraw/zinc/53/92/32/446539232.db2.gz ZDADFIGVFAJJTM-MRXNPFEDSA-N 2 0 325.497 1.757 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCCNc2ccccn2)CC1 ZINC000433155082 446539532 /nfs/dbraw/zinc/53/95/32/446539532.db2.gz WJDBHSRZDBVLPM-UHFFFAOYSA-N 2 0 333.480 1.593 20 0 EDADRP O=C(CC[N@@H+]1CCO[C@H](CCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420360221 446540185 /nfs/dbraw/zinc/54/01/85/446540185.db2.gz LQDMEKJDJFHFLF-GOSISDBHSA-N 2 0 331.460 1.142 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](C[NH3+])C(C)C)CC1 ZINC000433164253 446541479 /nfs/dbraw/zinc/54/14/79/446541479.db2.gz ZUMDIVQEQWJWGQ-IBGZPJMESA-N 2 0 346.519 1.671 20 0 EDADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000433169377 446543315 /nfs/dbraw/zinc/54/33/15/446543315.db2.gz QYRYMJGWXYLKPM-KRWDZBQOSA-N 3 0 346.519 1.826 20 0 EDADRP COC1([C@@H](C)[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)CCOCC1 ZINC000453079096 446543598 /nfs/dbraw/zinc/54/35/98/446543598.db2.gz OIXBRLRWVFMVRZ-MRXNPFEDSA-N 2 0 348.491 1.507 20 0 EDADRP O=C(CC[NH+]1CCC(CCC[NH+]2CCCC2)CC1)N1CC[NH2+]CC1 ZINC000420365630 446545680 /nfs/dbraw/zinc/54/56/80/446545680.db2.gz SJXGGAVSRVFJSK-UHFFFAOYSA-N 3 0 336.524 1.396 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)CC[NH2+]CC1 ZINC000423474073 446549653 /nfs/dbraw/zinc/54/96/53/446549653.db2.gz JHTOLXAPAVZIRO-STQMWFEESA-N 3 0 333.423 1.142 20 0 EDADRP CCC[NH2+]CCNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418464032 446553443 /nfs/dbraw/zinc/55/34/43/446553443.db2.gz ABAVIFZXZIKHKZ-IBGZPJMESA-N 2 0 348.491 1.264 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000418500562 446568877 /nfs/dbraw/zinc/56/88/77/446568877.db2.gz OJLPDZYVTXPSAE-ZENOOKHLSA-N 2 0 338.402 1.462 20 0 EDADRP C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420405318 446578631 /nfs/dbraw/zinc/57/86/31/446578631.db2.gz OYBDXITUZRKDEZ-GFCCVEGCSA-N 2 0 341.402 1.270 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418524296 446581473 /nfs/dbraw/zinc/58/14/73/446581473.db2.gz MZOIARKPISKXDZ-QZTJIDSGSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418667835 446642284 /nfs/dbraw/zinc/64/22/84/446642284.db2.gz GZEMUPNCEPXRKP-XXQMMXQMSA-N 2 0 342.487 1.899 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418680985 446645753 /nfs/dbraw/zinc/64/57/53/446645753.db2.gz GFCNZABIPDPTJD-WKILWMFISA-N 2 0 340.512 1.240 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368111184 446647542 /nfs/dbraw/zinc/64/75/42/446647542.db2.gz GKUKGCBBSALXHS-RBUKOAKNSA-N 2 0 327.472 1.797 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)C1 ZINC000376693871 446656749 /nfs/dbraw/zinc/65/67/49/446656749.db2.gz CUZCATQZPBGZNO-KDOFPFPSSA-N 2 0 348.422 1.024 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000376695607 446657762 /nfs/dbraw/zinc/65/77/62/446657762.db2.gz QMBYCEPVOHVJLX-MRXNPFEDSA-N 2 0 330.476 1.800 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@H](C)[C@@H]1C[NH3+])C(C)C ZINC000423727442 446663135 /nfs/dbraw/zinc/66/31/35/446663135.db2.gz IZAAMXFTVGYZDD-HOTGVXAUSA-N 2 0 340.512 1.149 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)cc1 ZINC000423739280 446669331 /nfs/dbraw/zinc/66/93/31/446669331.db2.gz VQRDPMIFCQJZIL-INIZCTEOSA-N 2 0 342.447 1.022 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090268 446622180 /nfs/dbraw/zinc/62/21/80/446622180.db2.gz WUETYFZWHTZVGO-KBXCAEBGSA-N 2 0 328.460 1.957 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000418630285 446623842 /nfs/dbraw/zinc/62/38/42/446623842.db2.gz FICOCGSTVBFOMW-SFHVURJKSA-N 2 0 328.460 1.611 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C[N@@H+]1C1CC1 ZINC000375277867 446688035 /nfs/dbraw/zinc/68/80/35/446688035.db2.gz YOJPDPBGIFCFMR-LSDHHAIUSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423843422 446726865 /nfs/dbraw/zinc/72/68/65/446726865.db2.gz MRKZOOGPORIMBX-QGZVFWFLSA-N 3 0 346.519 1.826 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000418829812 446736019 /nfs/dbraw/zinc/73/60/19/446736019.db2.gz XJDDFUGJZCWIQA-DLBZAZTESA-N 2 0 348.491 1.348 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000418760193 446679159 /nfs/dbraw/zinc/67/91/59/446679159.db2.gz GYYZAOFZIPWZSD-OWSLCNJRSA-N 2 0 346.475 1.048 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)CC1 ZINC000423750605 446679488 /nfs/dbraw/zinc/67/94/88/446679488.db2.gz XSZBYCKCPSZLNU-ZIFCJYIRSA-N 2 0 334.508 1.005 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1C[NH2+]C[C@H]1C ZINC000423749786 446679843 /nfs/dbraw/zinc/67/98/43/446679843.db2.gz SHDXVHULHVVMSL-BZUAXINKSA-N 2 0 339.480 1.108 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)C[C@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423890148 446747095 /nfs/dbraw/zinc/74/70/95/446747095.db2.gz ABAMGOOZZDBSFB-NEWSRXKRSA-N 2 0 345.487 1.782 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCc3nccn32)CC1 ZINC000368267623 446748564 /nfs/dbraw/zinc/74/85/64/446748564.db2.gz ZYGVPDFFUFWHPG-INIZCTEOSA-N 2 0 333.480 1.150 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[C@@H]1c1cccs1 ZINC000375369310 446753572 /nfs/dbraw/zinc/75/35/72/446753572.db2.gz XABWXUCPTMYBBB-DZGCQCFKSA-N 2 0 337.489 1.613 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000418922112 446799597 /nfs/dbraw/zinc/79/95/97/446799597.db2.gz DKSQZLRSABUFIB-OAHLLOKOSA-N 2 0 340.512 1.262 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CCOC1 ZINC000437792192 446759171 /nfs/dbraw/zinc/75/91/71/446759171.db2.gz KHBZWRWEDLZWPY-ROUUACIJSA-N 2 0 333.476 1.292 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CCCCCC1 ZINC000418902592 446784945 /nfs/dbraw/zinc/78/49/45/446784945.db2.gz QAWLMONFGLQBPK-GJZGRUSLSA-N 2 0 338.496 1.143 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc2)CC1 ZINC000423954454 446796715 /nfs/dbraw/zinc/79/67/15/446796715.db2.gz NDYLMOJMWQBTCM-QGZVFWFLSA-N 2 0 332.492 1.537 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCCC[C@@H]1C ZINC000438695797 446797000 /nfs/dbraw/zinc/79/70/00/446797000.db2.gz LUGVEPRIBLRNKE-GJZGRUSLSA-N 2 0 336.484 1.829 20 0 EDADRP [NH3+]C1(CNC(=O)Cc2cncs2)CC[NH+](Cc2ccccc2)CC1 ZINC000424018806 446825393 /nfs/dbraw/zinc/82/53/93/446825393.db2.gz KEBQVSYSVNXAMT-UHFFFAOYSA-N 2 0 344.484 1.795 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCN(C)[C@H]2c2cnn(C)c2)o1 ZINC000368401741 446839954 /nfs/dbraw/zinc/83/99/54/446839954.db2.gz GCJKWXUHPKKNHZ-CXAGYDPISA-N 2 0 346.431 1.972 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286536 446867659 /nfs/dbraw/zinc/86/76/59/446867659.db2.gz HEGQDYDSOLNLLF-SQWLQELKSA-N 2 0 339.480 1.154 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419021520 446870594 /nfs/dbraw/zinc/87/05/94/446870594.db2.gz HALWTIFACLFCTJ-QLFBSQMISA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](N3CCOCC3)C[C@@H]2C)CC1 ZINC000368509081 446909441 /nfs/dbraw/zinc/90/94/41/446909441.db2.gz XLFIHCHEBMQLCD-OALUTQOASA-N 2 0 338.540 1.198 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000419100471 446924307 /nfs/dbraw/zinc/92/43/07/446924307.db2.gz BUXUKROWORKHMY-PVAVHDDUSA-N 2 0 346.475 1.009 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419101791 446924626 /nfs/dbraw/zinc/92/46/26/446924626.db2.gz DDQTVEZYBMMCSW-ODIFPOPNSA-N 2 0 346.475 1.009 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](CC(=O)N2CCOC[C@@H]2C2CC2)CC1 ZINC000368574343 446952130 /nfs/dbraw/zinc/95/21/30/446952130.db2.gz ASCJOWWPRZQBPB-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000419228452 447020273 /nfs/dbraw/zinc/02/02/73/447020273.db2.gz VEAISYJGPFIMOV-HNNXBMFYSA-N 2 0 344.459 1.091 20 0 EDADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@H]([NH3+])C3CCOCC3)CC2)c1 ZINC000375704177 446988198 /nfs/dbraw/zinc/98/81/98/446988198.db2.gz KTWKCOKVVILUBR-LJQANCHMSA-N 2 0 345.487 1.830 20 0 EDADRP CC[NH+](CC)CCn1nnc([C@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000368626008 446990635 /nfs/dbraw/zinc/99/06/35/446990635.db2.gz RIOUMUWIEFVKTJ-QGZVFWFLSA-N 2 0 344.463 1.588 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000372096497 446999469 /nfs/dbraw/zinc/99/94/69/446999469.db2.gz SRPCQCUJAVJNMR-HQSKLWIPSA-N 2 0 343.471 1.741 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368681896 447032076 /nfs/dbraw/zinc/03/20/76/447032076.db2.gz CCUKSOZVLPVTIT-DLBZAZTESA-N 2 0 325.497 1.439 20 0 EDADRP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372355141 447046980 /nfs/dbraw/zinc/04/69/80/447046980.db2.gz HKCOYPPAIMQYDM-GOSISDBHSA-N 2 0 328.460 1.611 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375802676 447063110 /nfs/dbraw/zinc/06/31/10/447063110.db2.gz VQCDYMUFKJFVSS-KZNAEPCWSA-N 2 0 331.460 1.887 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ncn1 ZINC000375804399 447065233 /nfs/dbraw/zinc/06/52/33/447065233.db2.gz HZCJTQPRQACQRE-QBPKDAKJSA-N 3 0 344.507 1.950 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419304110 447069192 /nfs/dbraw/zinc/06/91/92/447069192.db2.gz PCCVGRDANSYCOJ-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP CC(CC(=O)NCC(C)(C)[NH+](C)C)CC(=O)NCC(C)(C)[NH+](C)C ZINC000443925922 447070684 /nfs/dbraw/zinc/07/06/84/447070684.db2.gz WDVVMJSANQNRQJ-UHFFFAOYSA-N 2 0 342.528 1.316 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000413227558 447079578 /nfs/dbraw/zinc/07/95/78/447079578.db2.gz JSJWKYJYCAYODT-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CC[C@@H](C3CC[NH+](C)CC3)C1)C2 ZINC000455475061 447139695 /nfs/dbraw/zinc/13/96/95/447139695.db2.gz MZHDWHWPSJJCDT-CSNJMZFVSA-N 2 0 334.508 1.985 20 0 EDADRP CCC[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000372574993 447154491 /nfs/dbraw/zinc/15/44/91/447154491.db2.gz ZIYDAILAKQSKHU-RYQLBKOJSA-N 2 0 349.523 1.992 20 0 EDADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)n1C ZINC000425363533 447127432 /nfs/dbraw/zinc/12/74/32/447127432.db2.gz WOLUHKNYGOTJJA-GOSISDBHSA-N 2 0 343.475 1.343 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[NH+](C)C ZINC000455439540 447131195 /nfs/dbraw/zinc/13/11/95/447131195.db2.gz ZXFJFROTAACQLU-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000419432822 447173129 /nfs/dbraw/zinc/17/31/29/447173129.db2.gz YMWJEEHESVCQDY-GJZGRUSLSA-N 2 0 340.512 1.346 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000375965625 447180573 /nfs/dbraw/zinc/18/05/73/447180573.db2.gz RZSOHJOQBAUUFV-SFHVURJKSA-N 2 0 330.476 1.017 20 0 EDADRP CCC(CC)[C@@H](C(=O)N1CCn2c(C)c(C)nc2C1)N1CCOCC1 ZINC000372648785 447205629 /nfs/dbraw/zinc/20/56/29/447205629.db2.gz KERULHQCBBNQEN-SFHVURJKSA-N 2 0 348.491 1.979 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H]2CCO[C@H]2c2cnn(C)c2)CC1 ZINC000425515255 447205640 /nfs/dbraw/zinc/20/56/40/447205640.db2.gz KJQQJUZXFIOHIW-MSOLQXFVSA-N 2 0 335.496 1.256 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000446376993 447250794 /nfs/dbraw/zinc/25/07/94/447250794.db2.gz OECUADYPZVAOBU-JOQOYGCGSA-N 2 0 341.415 1.738 20 0 EDADRP O[C@@H]1CC[C@@H]2C[NH+](C/C=C\C[N@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530300 447215167 /nfs/dbraw/zinc/21/51/67/447215167.db2.gz ZGRXYRARIBYFES-CVWCVHPZSA-N 2 0 334.504 1.728 20 0 EDADRP COCCSCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000376054750 447239301 /nfs/dbraw/zinc/23/93/01/447239301.db2.gz OLQURMZYVXGDIE-DLBZAZTESA-N 2 0 329.554 1.714 20 0 EDADRP CC[C@H](C(=O)NC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)[NH+](C)C ZINC000413771131 447239633 /nfs/dbraw/zinc/23/96/33/447239633.db2.gz NWMNUAIDNIGZGP-QLFBSQMISA-N 2 0 342.528 1.314 20 0 EDADRP CCN1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000414309496 447291125 /nfs/dbraw/zinc/29/11/25/447291125.db2.gz RVTZHQOIBWUKMA-HKUYNNGSSA-N 2 0 331.504 1.943 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cccc4nccn43)C2)CC1 ZINC000377630816 447256731 /nfs/dbraw/zinc/25/67/31/447256731.db2.gz TUNSMORZRQXRPX-KRWDZBQOSA-N 2 0 327.476 1.794 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCCCC1 ZINC000369027154 447272983 /nfs/dbraw/zinc/27/29/83/447272983.db2.gz MGHMIKGWMCWMDK-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369028035 447274988 /nfs/dbraw/zinc/27/49/88/447274988.db2.gz NDYPKEYTZUSUJM-HOTGVXAUSA-N 2 0 338.496 1.412 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458707126 447458190 /nfs/dbraw/zinc/45/81/90/447458190.db2.gz NJNWIHJNMJJKBE-KRWDZBQOSA-N 2 0 338.496 1.007 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)CCCO1 ZINC000458732395 447465709 /nfs/dbraw/zinc/46/57/09/447465709.db2.gz SRNKIKJQBBKNPX-XYTVBORESA-N 2 0 338.496 1.412 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000426991052 447525050 /nfs/dbraw/zinc/52/50/50/447525050.db2.gz LGVFBOPPPOKEEY-LJQANCHMSA-N 2 0 348.535 1.630 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@@H](C)C1 ZINC000459066137 447560718 /nfs/dbraw/zinc/56/07/18/447560718.db2.gz UURJXAIGFLDMEQ-HMQBUONMSA-N 2 0 334.508 1.983 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000457816910 447639048 /nfs/dbraw/zinc/63/90/48/447639048.db2.gz SJKRGGHQQDYORN-XHSDSOJGSA-N 2 0 328.501 1.059 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457823496 447642025 /nfs/dbraw/zinc/64/20/25/447642025.db2.gz XRPWQTOGMGEFLZ-JKSUJKDBSA-N 2 0 328.501 1.109 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C3C[NH+](C4CCCCC4)C3)C2)CC1 ZINC000457541459 447592502 /nfs/dbraw/zinc/59/25/02/447592502.db2.gz KMGKTWBZCFGQGA-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000457562816 447597687 /nfs/dbraw/zinc/59/76/87/447597687.db2.gz AVONZPBELUBVOQ-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000427489707 447607238 /nfs/dbraw/zinc/60/72/38/447607238.db2.gz CYZATXHOEKWVQN-OAHLLOKOSA-N 2 0 333.480 1.292 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000416863141 447698266 /nfs/dbraw/zinc/69/82/66/447698266.db2.gz GRWXLHODKKWVDJ-QAPCUYQASA-N 2 0 348.491 1.862 20 0 EDADRP C[N@H+](CCCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccccc1 ZINC000416869771 447699412 /nfs/dbraw/zinc/69/94/12/447699412.db2.gz HJOXZJJKEIVITH-QZTJIDSGSA-N 2 0 330.476 1.759 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC3(CC[NH2+]3)CC2)[C@@H]1c1ccccc1 ZINC000422603275 447665492 /nfs/dbraw/zinc/66/54/92/447665492.db2.gz KOBUTOASEDLANC-IRXDYDNUSA-N 2 0 328.460 1.969 20 0 EDADRP CO[C@H]1CCN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)[C@H](C[NH3+])C1 ZINC000416795903 447687692 /nfs/dbraw/zinc/68/76/92/447687692.db2.gz VDNJFEGQGNWRBD-KBPBESRZSA-N 2 0 326.485 1.443 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000416939071 447715773 /nfs/dbraw/zinc/71/57/73/447715773.db2.gz GNWAJBCUMVUMGN-XHSDSOJGSA-N 2 0 326.485 1.317 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)C2CCCCC2)CC[NH2+]CC1 ZINC000422705850 447721526 /nfs/dbraw/zinc/72/15/26/447721526.db2.gz SIXRDPRKPGEBSA-ZBFHGGJFSA-N 2 0 326.481 1.839 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000416947947 447722690 /nfs/dbraw/zinc/72/26/90/447722690.db2.gz PLFORGZWDOPQGB-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000416950444 447723694 /nfs/dbraw/zinc/72/36/94/447723694.db2.gz RFUVNBKZHMRBLX-BFYDXBDKSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422718695 447728138 /nfs/dbraw/zinc/72/81/38/447728138.db2.gz XISOHPBGDVWDHL-ZBFHGGJFSA-N 2 0 331.460 1.474 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459726166 447753853 /nfs/dbraw/zinc/75/38/53/447753853.db2.gz GIQXMPMGJJEPKU-INIZCTEOSA-N 2 0 335.496 1.387 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000422828820 447762871 /nfs/dbraw/zinc/76/28/71/447762871.db2.gz BJPRXFZUMHTAQL-SFHVURJKSA-N 2 0 329.444 1.914 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845118 447767693 /nfs/dbraw/zinc/76/76/93/447767693.db2.gz NLJVAUUNVQPXIU-MJGOQNOKSA-N 2 0 344.503 1.703 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@H]1C ZINC000430800445 447786326 /nfs/dbraw/zinc/78/63/26/447786326.db2.gz QYLSGTJCHBSGNM-CZUORRHYSA-N 2 0 348.495 1.456 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCCOc1ccccc1F ZINC000431020090 447788712 /nfs/dbraw/zinc/78/87/12/447788712.db2.gz WLEGCZZMFDXJCB-UHFFFAOYSA-N 2 0 349.450 1.786 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CCCC[C@@H]3C[NH3+])C2)nc1 ZINC000423030852 447794788 /nfs/dbraw/zinc/79/47/88/447794788.db2.gz KAOAWLCZIARKMG-CZUORRHYSA-N 2 0 332.448 1.554 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000462012154 447798128 /nfs/dbraw/zinc/79/81/28/447798128.db2.gz SUOOXTIEZXAFMT-ZACQAIPSSA-N 2 0 342.528 1.593 20 0 EDADRP CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423104564 447806135 /nfs/dbraw/zinc/80/61/35/447806135.db2.gz HHDKELFANQTUTM-DMOGRIERSA-N 2 0 325.482 1.923 20 0 EDADRP CCCN1CCC[C@H]1C[NH2+][C@@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000423110003 447807001 /nfs/dbraw/zinc/80/70/01/447807001.db2.gz OJGHJRDGUPGHHC-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487674883 447836044 /nfs/dbraw/zinc/83/60/44/447836044.db2.gz KWXURIJPRHSSIT-USXIJHARSA-N 2 0 340.512 1.394 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CCSC1 ZINC000489445868 447857387 /nfs/dbraw/zinc/85/73/87/447857387.db2.gz ZWPAWIVOURZITH-CVEARBPZSA-N 2 0 326.510 1.161 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574955 447864727 /nfs/dbraw/zinc/86/47/27/447864727.db2.gz TXYRIOCTCCULIF-FZMWSMFESA-N 2 0 334.508 1.841 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000575981623 447941479 /nfs/dbraw/zinc/94/14/79/447941479.db2.gz VEJBJJRGCMUFFR-QGZVFWFLSA-N 2 0 339.455 1.181 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000576004491 447949792 /nfs/dbraw/zinc/94/97/92/447949792.db2.gz ZAKCQQRSVQPWLO-HNNXBMFYSA-N 2 0 346.479 1.128 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000570142706 447951165 /nfs/dbraw/zinc/95/11/65/447951165.db2.gz CPHUZPUKJWBYLB-HNNXBMFYSA-N 2 0 348.495 2.002 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572005 447917440 /nfs/dbraw/zinc/91/74/40/447917440.db2.gz NOQRDDIBVPUVQB-PXNSSMCTSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@@H](NC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000575921432 447928174 /nfs/dbraw/zinc/92/81/74/447928174.db2.gz ZUILBUIMXHSCJH-PMPSAXMXSA-N 2 0 338.496 1.001 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000552034778 447930599 /nfs/dbraw/zinc/93/05/99/447930599.db2.gz XLMBTFFKMBCWRH-YESZJQIVSA-N 2 0 337.489 1.427 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)CC[NH2+]1 ZINC000576211272 447999710 /nfs/dbraw/zinc/99/97/10/447999710.db2.gz NSGBLBRUEDPUEC-KBAYOESNSA-N 2 0 346.475 1.327 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000491375371 448007146 /nfs/dbraw/zinc/00/71/46/448007146.db2.gz NZYZNMQMQLAWFP-HIFRSBDPSA-N 2 0 334.468 1.754 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1(CCO)CC[NH+](C)CC1 ZINC000570411457 448008792 /nfs/dbraw/zinc/00/87/92/448008792.db2.gz ORAHNSBKLPRHHW-PKOBYXMFSA-N 2 0 331.504 1.943 20 0 EDADRP C[C@H](C[NH3+])C[NH2+][C@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289958 448044272 /nfs/dbraw/zinc/04/42/72/448044272.db2.gz QSOACUMONCCAJG-INMHGKMJSA-N 2 0 335.448 1.597 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000554621033 448044780 /nfs/dbraw/zinc/04/47/80/448044780.db2.gz SRXOGIRCAXVWMW-QGZVFWFLSA-N 2 0 335.448 1.460 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000496936228 448050558 /nfs/dbraw/zinc/05/05/58/448050558.db2.gz DHXXNYJYTGWDHI-UHFFFAOYSA-N 2 0 326.485 1.175 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000531482133 448091355 /nfs/dbraw/zinc/09/13/55/448091355.db2.gz LBAOEBVAIJAKTQ-IXDOHACOSA-N 2 0 340.512 1.515 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1 ZINC000501267198 448093701 /nfs/dbraw/zinc/09/37/01/448093701.db2.gz RCYZNEVNARIXJS-HRCADAONSA-N 2 0 342.528 1.713 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000502583512 448101338 /nfs/dbraw/zinc/10/13/38/448101338.db2.gz BBSVLSLJHDMVPI-NZSAHSFTSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000576706158 448120061 /nfs/dbraw/zinc/12/00/61/448120061.db2.gz CHUWLJUPODNQLY-CRAIPNDOSA-N 2 0 337.508 1.819 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000576704475 448120618 /nfs/dbraw/zinc/12/06/18/448120618.db2.gz UMQHGMARHBZZDJ-UXHICEINSA-N 2 0 330.520 1.564 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCC(O)(C[NH3+])CC2)cc1)C(C)C ZINC000576754469 448132696 /nfs/dbraw/zinc/13/26/96/448132696.db2.gz QVOHJWDEBYJEJO-UHFFFAOYSA-N 2 0 333.476 1.843 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673171 448183382 /nfs/dbraw/zinc/18/33/82/448183382.db2.gz XOLCUNHISBPTGL-ZIAGYGMSSA-N 2 0 339.480 1.297 20 0 EDADRP CC(C)[NH2+]CCC[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000514596024 448168344 /nfs/dbraw/zinc/16/83/44/448168344.db2.gz AGPYROFIBUJUMM-INIZCTEOSA-N 2 0 325.478 1.689 20 0 EDADRP COC[C@@]1(CNC(=O)N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CCC[NH2+]1 ZINC000514850235 448214222 /nfs/dbraw/zinc/21/42/22/448214222.db2.gz OXCFOBNCEKXUCX-YJBOKZPZSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000532215166 448216403 /nfs/dbraw/zinc/21/64/03/448216403.db2.gz STSLEXUAXTYZDN-KRWDZBQOSA-N 2 0 346.523 1.309 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000577270790 448253204 /nfs/dbraw/zinc/25/32/04/448253204.db2.gz KPOXUYRZIHZULO-MOPGFXCFSA-N 2 0 345.487 1.830 20 0 EDADRP Cc1cc(CNC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc(C)n1 ZINC000515232700 448279256 /nfs/dbraw/zinc/27/92/56/448279256.db2.gz FAMURQRHMGARFE-UHFFFAOYSA-N 2 0 344.459 1.401 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000572114068 448289148 /nfs/dbraw/zinc/28/91/48/448289148.db2.gz BGZWKVBPTWCRPY-KRWDZBQOSA-N 2 0 335.492 1.350 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CC2CC2)C(C)C)C1 ZINC000532667393 448292935 /nfs/dbraw/zinc/29/29/35/448292935.db2.gz BOGHINSNAMSJHV-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000582789207 448339899 /nfs/dbraw/zinc/33/98/99/448339899.db2.gz VJBUHPUDIQBUBM-LIRRHRJNSA-N 2 0 348.466 1.897 20 0 EDADRP Cc1nn(-c2ccccn2)c(C)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000582871713 448364305 /nfs/dbraw/zinc/36/43/05/448364305.db2.gz KAFJFTOTGDXJDB-UHFFFAOYSA-N 2 0 344.507 1.809 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCc2nnnn2CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572391245 448365259 /nfs/dbraw/zinc/36/52/59/448365259.db2.gz XVFWPTMUBPNWST-CGTJXYLNSA-N 2 0 340.475 1.878 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])CC(C)C ZINC000577831083 448394614 /nfs/dbraw/zinc/39/46/14/448394614.db2.gz YQHMTBMRLYWYCW-JKSUJKDBSA-N 2 0 327.517 1.027 20 0 EDADRP Cc1c(C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)nnn1C1CC[NH2+]CC1 ZINC000566193922 448411846 /nfs/dbraw/zinc/41/18/46/448411846.db2.gz OYUKYUSMTUOBDS-ZDUSSCGKSA-N 2 0 348.495 1.313 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000582910611 448377306 /nfs/dbraw/zinc/37/73/06/448377306.db2.gz NBCCTUJHVGMION-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010984 448439476 /nfs/dbraw/zinc/43/94/76/448439476.db2.gz KMDLTOJUENXBTK-HOTGVXAUSA-N 2 0 326.529 1.400 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010986 448439805 /nfs/dbraw/zinc/43/98/05/448439805.db2.gz KMDLTOJUENXBTK-JKSUJKDBSA-N 2 0 326.529 1.400 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024233 448443539 /nfs/dbraw/zinc/44/35/39/448443539.db2.gz RHQDGNVETHUMRW-IEBWSBKVSA-N 2 0 344.503 1.261 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000566351701 448451579 /nfs/dbraw/zinc/45/15/79/448451579.db2.gz YDDZKEFIFVPLLU-GOSISDBHSA-N 3 0 326.448 1.220 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000516634756 448453222 /nfs/dbraw/zinc/45/32/22/448453222.db2.gz AWEXUMQMAXMIHS-QZTJIDSGSA-N 2 0 348.491 1.168 20 0 EDADRP C[C@@H](CNC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2)[N@@H+]1CCC[C@@H](C)C1 ZINC000578117346 448463290 /nfs/dbraw/zinc/46/32/90/448463290.db2.gz UUKQWAWVOTUWIV-TWMKSMIVSA-N 2 0 338.496 1.269 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C2CC2)c1 ZINC000528334884 448490376 /nfs/dbraw/zinc/49/03/76/448490376.db2.gz KXDAQLJGTITYFE-KRWDZBQOSA-N 2 0 333.480 1.706 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc2ncsc2c1 ZINC000516902407 448490981 /nfs/dbraw/zinc/49/09/81/448490981.db2.gz DZLCVTCLDNBTPC-HIFRSBDPSA-N 2 0 334.489 1.555 20 0 EDADRP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)CC3 ZINC000584345143 448491016 /nfs/dbraw/zinc/49/10/16/448491016.db2.gz KWYBEZUJEDORKX-CQSZACIVSA-N 2 0 326.444 1.355 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000578520168 448567947 /nfs/dbraw/zinc/56/79/47/448567947.db2.gz RKLBNZCXDRRONN-BBWFWOEESA-N 2 0 337.533 1.947 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2cccc3ccccc32)CC1 ZINC000566733496 448546534 /nfs/dbraw/zinc/54/65/34/448546534.db2.gz CLHPRRYAVNMPOF-JRGCBEDISA-N 2 0 339.483 1.894 20 0 EDADRP CN(C(=O)CC[NH2+]C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000584730701 448612908 /nfs/dbraw/zinc/61/29/08/448612908.db2.gz UBXFZZWECZUTEL-UHFFFAOYSA-N 2 0 330.476 1.689 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccsc1 ZINC000573414173 448617463 /nfs/dbraw/zinc/61/74/63/448617463.db2.gz BLZFCBCGVYGMLW-WFASDCNBSA-N 2 0 333.461 1.931 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000517539580 448590406 /nfs/dbraw/zinc/59/04/06/448590406.db2.gz LMABEODYMULYRI-CVEARBPZSA-N 2 0 338.496 1.576 20 0 EDADRP [NH3+]C[C@@H]1C[N@@H+]([C@H]2CCc3ccccc3NC2=O)CC12CCOCC2 ZINC000584840364 448652935 /nfs/dbraw/zinc/65/29/35/448652935.db2.gz ZYHFDOSNAZYIEU-WBVHZDCISA-N 2 0 329.444 1.627 20 0 EDADRP Cc1cccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)N2CCOCC2)c1 ZINC000573547887 448655034 /nfs/dbraw/zinc/65/50/34/448655034.db2.gz SODMADYMOWHAAR-MSOLQXFVSA-N 2 0 346.475 1.420 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000517928246 448629874 /nfs/dbraw/zinc/62/98/74/448629874.db2.gz GSCKKCSPJVFMSO-INIZCTEOSA-N 2 0 348.495 1.272 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC3C[NH2+]C3)c2C1 ZINC000573694165 448693176 /nfs/dbraw/zinc/69/31/76/448693176.db2.gz TXNCHIGQEZKHQH-LBPRGKRZSA-N 2 0 330.432 1.073 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786130 448710881 /nfs/dbraw/zinc/71/08/81/448710881.db2.gz AMRQRWLCJUVBSA-PBHICJAKSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CCN(C)C3(CCCCC3)C2)C[C@H](C)O1 ZINC000573979177 448761487 /nfs/dbraw/zinc/76/14/87/448761487.db2.gz LSGUQJURJHBORZ-FGTMMUONSA-N 2 0 339.524 1.407 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000519358828 448762168 /nfs/dbraw/zinc/76/21/68/448762168.db2.gz HALAOZRGKUINJH-OJLVUWQFSA-N 2 0 334.489 1.477 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000579208510 448739738 /nfs/dbraw/zinc/73/97/38/448739738.db2.gz KGKPZHBGAIKMDV-HNNXBMFYSA-N 2 0 344.459 1.214 20 0 EDADRP CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@H]1C[NH+]2CCC1CC2 ZINC000519116237 448743348 /nfs/dbraw/zinc/74/33/48/448743348.db2.gz XYZSABWNLBFVNK-IBGZPJMESA-N 2 0 327.472 1.987 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(F)c1 ZINC000519409236 448768283 /nfs/dbraw/zinc/76/82/83/448768283.db2.gz YPOHQWJSJNFQCU-CQSZACIVSA-N 2 0 335.345 1.760 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000567773846 448757440 /nfs/dbraw/zinc/75/74/40/448757440.db2.gz PEMZPLYJUFLZFX-UHFFFAOYSA-N 2 0 336.484 1.209 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000574170700 448809827 /nfs/dbraw/zinc/80/98/27/448809827.db2.gz RMPGYNZPAWRCLX-HOCLYGCPSA-N 2 0 325.522 1.662 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000579348295 448772415 /nfs/dbraw/zinc/77/24/15/448772415.db2.gz AHAFFZJOJQEZML-ZDUSSCGKSA-N 2 0 344.459 1.463 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C2([NH3+])CCC2)CC1 ZINC000579350455 448773576 /nfs/dbraw/zinc/77/35/76/448773576.db2.gz MWHNUWWVRCXCQE-UHFFFAOYSA-N 2 0 346.475 1.157 20 0 EDADRP [NH3+]CC1(NC(=O)NC2CC[NH+](C3CCCCC3)CC2)CCOCC1 ZINC000529311409 448817137 /nfs/dbraw/zinc/81/71/37/448817137.db2.gz FEQRSHNIYLGXTE-UHFFFAOYSA-N 2 0 338.496 1.591 20 0 EDADRP CCn1ccnc1[C@@H](C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529332433 448829322 /nfs/dbraw/zinc/82/93/22/448829322.db2.gz RWLAQACVEIQLCT-ZBFHGGJFSA-N 2 0 349.479 1.764 20 0 EDADRP O=C(CCNC(=O)[C@@H]1CCC[NH2+]1)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000519774764 448842714 /nfs/dbraw/zinc/84/27/14/448842714.db2.gz SBBPLUFJUFJGQI-KRWDZBQOSA-N 2 0 344.459 1.479 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000529377588 448848992 /nfs/dbraw/zinc/84/89/92/448848992.db2.gz QVWDGMXECJCEQR-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC(CCCn2ccnc2)CC1 ZINC000529377577 448849128 /nfs/dbraw/zinc/84/91/28/448849128.db2.gz QPXSFSVQIMEZTI-INIZCTEOSA-N 2 0 335.452 1.073 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ncccc1OC ZINC000547469459 448885007 /nfs/dbraw/zinc/88/50/07/448885007.db2.gz ZEVMSTQWVGKTKH-OAHLLOKOSA-N 2 0 349.479 1.970 20 0 EDADRP CCC[C@H]1CN(C(=O)CCC2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000579715244 448860901 /nfs/dbraw/zinc/86/09/01/448860901.db2.gz UVZNZPLAFBFNNB-KRWDZBQOSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000568628330 448897440 /nfs/dbraw/zinc/89/74/40/448897440.db2.gz QEVWVSCAKSEBAM-SFHVURJKSA-N 2 0 338.540 1.818 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCc4ccccc4[C@@H]3C[NH3+])c21 ZINC000592567643 448904472 /nfs/dbraw/zinc/90/44/72/448904472.db2.gz SUCNHEILXMAWGH-PBHICJAKSA-N 2 0 339.443 1.418 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)C1 ZINC000574585093 448910264 /nfs/dbraw/zinc/91/02/64/448910264.db2.gz SLLYAXIKDURAEZ-DOTOQJQBSA-N 2 0 331.460 1.746 20 0 EDADRP CCOc1ccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000579827677 448887689 /nfs/dbraw/zinc/88/76/89/448887689.db2.gz UARWOIVUWDMMAI-DOTOQJQBSA-N 2 0 334.460 1.899 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)cc1 ZINC000521071434 448953313 /nfs/dbraw/zinc/95/33/13/448953313.db2.gz MIGQOCFYPLXNJT-QGZVFWFLSA-N 2 0 331.460 1.681 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc2c(c1)OCCO2 ZINC000521212358 448962228 /nfs/dbraw/zinc/96/22/28/448962228.db2.gz OXCFYYSUSWFMGC-IUODEOHRSA-N 2 0 328.416 1.936 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(F)F)cn1 ZINC000547859040 448940922 /nfs/dbraw/zinc/94/09/22/448940922.db2.gz BBMACEFBGTXJSV-UHFFFAOYSA-N 2 0 330.379 1.248 20 0 EDADRP Cc1cnc2cc(C(=O)N3CC[NH+](C4CCOCC4)CC3)ccn12 ZINC000582190516 449034639 /nfs/dbraw/zinc/03/46/39/449034639.db2.gz WLYJYJYKSVBWQQ-UHFFFAOYSA-N 2 0 328.416 1.580 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH+](C)CC1 ZINC000589612523 449039117 /nfs/dbraw/zinc/03/91/17/449039117.db2.gz OXJDMWRDTYOLGY-OAHLLOKOSA-N 2 0 340.537 1.597 20 0 EDADRP CCC(CC)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCO1 ZINC000575117901 449039899 /nfs/dbraw/zinc/03/98/99/449039899.db2.gz OUXDXTVPBGJBNR-KSZLIROESA-N 2 0 327.513 1.168 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[NH2+][C@@H]2C)cc1 ZINC000582243390 449047391 /nfs/dbraw/zinc/04/73/91/449047391.db2.gz LYCWOUNMXKTVRL-PBHICJAKSA-N 2 0 346.475 1.695 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592964169 449088021 /nfs/dbraw/zinc/08/80/21/449088021.db2.gz GSTAIEJSHLRWMX-HUUCEWRRSA-N 2 0 333.480 1.523 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239864 449090273 /nfs/dbraw/zinc/09/02/73/449090273.db2.gz ILTYJRZPGCULGC-AZUAARDMSA-N 3 0 347.503 1.828 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2[C@@H]3Cc4c(cccc4Cl)[C@@H]32)CC1 ZINC000530244701 449093934 /nfs/dbraw/zinc/09/39/34/449093934.db2.gz PIDVBEHBZFQEAY-ZYRRHWMLSA-N 2 0 335.879 1.176 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)n1 ZINC000600133606 449207691 /nfs/dbraw/zinc/20/76/91/449207691.db2.gz WYYVWZMWTBNRKZ-OAHLLOKOSA-N 2 0 334.464 1.231 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)C2)CC1 ZINC000604175759 449185203 /nfs/dbraw/zinc/18/52/03/449185203.db2.gz AFFAOUOJXHCCIA-SZMVWBNQSA-N 2 0 349.523 1.081 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3-n3cncn3)C2)CC1 ZINC000611269137 449242903 /nfs/dbraw/zinc/24/29/03/449242903.db2.gz YQDMGHMEMAMHRX-GOSISDBHSA-N 2 0 340.475 1.479 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)CC1 ZINC000595929632 449259836 /nfs/dbraw/zinc/25/98/36/449259836.db2.gz NSCGDTKINSZGSO-PKOBYXMFSA-N 2 0 342.487 1.459 20 0 EDADRP C[NH+]1CCC(CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000590850052 449319780 /nfs/dbraw/zinc/31/97/80/449319780.db2.gz RFKOOFVQQLMRFR-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)[C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC000617112232 449463679 /nfs/dbraw/zinc/46/36/79/449463679.db2.gz TXMLPKGSGKLEHU-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(C)(C)n3cncn3)C2)CC1 ZINC000602480544 449623690 /nfs/dbraw/zinc/62/36/90/449623690.db2.gz CRFUMZTUYYYPFN-IRXDYDNUSA-N 2 0 334.512 1.502 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000614503908 449652056 /nfs/dbraw/zinc/65/20/56/449652056.db2.gz SUGNFMSTQARWHP-ROUUACIJSA-N 2 0 330.476 1.186 20 0 EDADRP CCOC(=O)c1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)on1 ZINC000602547720 449666487 /nfs/dbraw/zinc/66/64/87/449666487.db2.gz JOFMUVWNFKOKIH-ZDUSSCGKSA-N 2 0 336.436 1.109 20 0 EDADRP COC(=O)c1csc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000602654018 449731789 /nfs/dbraw/zinc/73/17/89/449731789.db2.gz FYJYSDIYPBJKFS-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)[nH]c1C ZINC000602655177 449732745 /nfs/dbraw/zinc/73/27/45/449732745.db2.gz FFOZJTDOVDHKTH-QGZVFWFLSA-N 2 0 348.491 1.710 20 0 EDADRP COC(=O)c1oc(C[NH2+]C[C@@H](C(C)C)N2CCN(C)CC2)cc1C ZINC000597043419 449781031 /nfs/dbraw/zinc/78/10/31/449781031.db2.gz MXOURJYWRMZDGA-INIZCTEOSA-N 2 0 337.464 1.736 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617700780 449745980 /nfs/dbraw/zinc/74/59/80/449745980.db2.gz LDESQOWNSSJMEO-FCEWJHQRSA-N 2 0 345.487 1.742 20 0 EDADRP CC1(C)CC(NC(=O)NC2CC[NH+](CCO)CC2)CC(C)(C)[NH2+]1 ZINC000601208668 449751056 /nfs/dbraw/zinc/75/10/56/449751056.db2.gz VRHYAJIFNOKQKI-UHFFFAOYSA-N 2 0 326.485 1.052 20 0 EDADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)cc2)n1 ZINC000594874974 449789042 /nfs/dbraw/zinc/78/90/42/449789042.db2.gz CZLHJVTXAPDABQ-QZTJIDSGSA-N 2 0 339.443 1.233 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C(C)C)C1 ZINC000601285856 449799479 /nfs/dbraw/zinc/79/94/79/449799479.db2.gz NJKRHWNEGVCLLW-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@]1(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC[NH2+]C1 ZINC000612902546 449933891 /nfs/dbraw/zinc/93/38/91/449933891.db2.gz BPKOCIQNBZTJEH-PKOBYXMFSA-N 2 0 346.475 1.329 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000617976833 449958941 /nfs/dbraw/zinc/95/89/41/449958941.db2.gz AZPWYXWRWSTXOE-UHFFFAOYSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005121 449980563 /nfs/dbraw/zinc/98/05/63/449980563.db2.gz KMHPHJKMFWHTPP-QRXAFDDPSA-N 2 0 349.519 1.961 20 0 EDADRP CC(C)CNC(=O)NC(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109712 450072597 /nfs/dbraw/zinc/07/25/97/450072597.db2.gz FLPVJTGEPVCLDQ-UHFFFAOYSA-N 2 0 326.485 1.666 20 0 EDADRP CS[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@@H]1[NH+](C)C ZINC000599720450 450177828 /nfs/dbraw/zinc/17/78/28/450177828.db2.gz GYRQXBDFEAJBEG-MHORFTMASA-N 2 0 347.528 1.836 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623409118 450517160 /nfs/dbraw/zinc/51/71/60/450517160.db2.gz QCTPJWNZXDOXDF-CYBMUJFWSA-N 2 0 326.435 1.756 20 0 EDADRP C[NH2+]CCOCCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000625833476 450517928 /nfs/dbraw/zinc/51/79/28/450517928.db2.gz AEVLYXLBDBNAIB-UHFFFAOYSA-N 2 0 349.479 1.104 20 0 EDADRP O=C(C[NH+](C1CC1)C1CC1)NCc1ccccc1CN1CCOCC1 ZINC000625837743 450518686 /nfs/dbraw/zinc/51/86/86/450518686.db2.gz SJZGMWLAIARTGO-UHFFFAOYSA-N 2 0 343.471 1.762 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[NH2+]1 ZINC000625865600 450524193 /nfs/dbraw/zinc/52/41/93/450524193.db2.gz SHEOZRZALCLDPA-SMDDNHRTSA-N 2 0 333.436 1.109 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000625943346 450539164 /nfs/dbraw/zinc/53/91/64/450539164.db2.gz WVANAVOLCZJWGO-UHFFFAOYSA-N 2 0 336.436 1.258 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000620904502 450557689 /nfs/dbraw/zinc/55/76/89/450557689.db2.gz OQPDDUHVOCVBPO-GOEBONIOSA-N 2 0 331.464 1.046 20 0 EDADRP O=C([C@@H]1CC[NH+](Cc2ccccc2)C1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627268206 450606319 /nfs/dbraw/zinc/60/63/19/450606319.db2.gz YWUKMZVMIZJZLA-QYZOEREBSA-N 2 0 343.471 1.176 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)NC[C@H](O)C[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000626200449 450621304 /nfs/dbraw/zinc/62/13/04/450621304.db2.gz MZJAZJWQMWXRIR-OTWHNJEPSA-N 2 0 345.487 1.295 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000635137934 450683229 /nfs/dbraw/zinc/68/32/29/450683229.db2.gz FEEBATGBBSFWPR-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccc(F)cc1 ZINC000629568751 450741352 /nfs/dbraw/zinc/74/13/52/450741352.db2.gz WKBPFCFMXYKSKO-KGLIPLIRSA-N 2 0 325.428 1.559 20 0 EDADRP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCOCC[NH3+] ZINC000629578395 450746343 /nfs/dbraw/zinc/74/63/43/450746343.db2.gz BTUIJGXOCOZRMW-UONOGXRCSA-N 2 0 325.478 1.707 20 0 EDADRP Cc1[nH]c2ccc(F)cc2c1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000629604550 450759472 /nfs/dbraw/zinc/75/94/72/450759472.db2.gz UREUWGKNGBBIMN-MRXNPFEDSA-N 2 0 348.466 1.356 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](N(C)Cc3ncc(C)o3)C2)CC[N@@H+]1C ZINC000631945025 450902564 /nfs/dbraw/zinc/90/25/64/450902564.db2.gz NFUPLGAAZSGCAM-OWCLPIDISA-N 2 0 334.464 1.746 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@H]2CCCC[NH+](C)C2)C1 ZINC000624616450 450926365 /nfs/dbraw/zinc/92/63/65/450926365.db2.gz BTCKJTNRROBOAV-IAGOWNOFSA-N 2 0 340.512 1.374 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000626844390 450949867 /nfs/dbraw/zinc/94/98/67/450949867.db2.gz KAKIDBFMTJZWPU-MRXNPFEDSA-N 2 0 332.448 1.143 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3(C[NH+](C)C)CC3)ccc2oc1=O ZINC000635451735 450951698 /nfs/dbraw/zinc/95/16/98/450951698.db2.gz RIIXRFAWMZJGAF-UHFFFAOYSA-N 2 0 346.431 1.436 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cn1 ZINC000633631869 450953506 /nfs/dbraw/zinc/95/35/06/450953506.db2.gz XZKGFTDHZZMBQF-INIZCTEOSA-N 2 0 333.480 1.582 20 0 EDADRP COc1cc(CNC(=O)C[C@H]2CC[N@H+](C)C2)ccc1OCC[NH+](C)C ZINC000635463644 450963853 /nfs/dbraw/zinc/96/38/53/450963853.db2.gz BOTNJCIMUXJACH-MRXNPFEDSA-N 2 0 349.475 1.594 20 0 EDADRP C[C@](O)(C[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000630048035 450982527 /nfs/dbraw/zinc/98/25/27/450982527.db2.gz XZUKCYZECKUSLI-OALUTQOASA-N 2 0 340.508 1.333 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)N[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000626973729 451044198 /nfs/dbraw/zinc/04/41/98/451044198.db2.gz DGKQUWAMLLSNJZ-OAHLLOKOSA-N 2 0 338.496 1.461 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000626928679 451011488 /nfs/dbraw/zinc/01/14/88/451011488.db2.gz GJTWGEKRCZTVPV-RISCZKNCSA-N 2 0 348.413 1.782 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000626934958 451017890 /nfs/dbraw/zinc/01/78/90/451017890.db2.gz SKGOCQNMJUGNQW-OAHLLOKOSA-N 2 0 326.485 1.304 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626975349 451045334 /nfs/dbraw/zinc/04/53/34/451045334.db2.gz SPYZUCAMQSMJRX-OAHLLOKOSA-N 2 0 340.512 1.694 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000626941527 451020977 /nfs/dbraw/zinc/02/09/77/451020977.db2.gz BCUJOKCNBYNJMO-DLBZAZTESA-N 2 0 331.464 1.486 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+](CC3CCCC3)CC2)CCOCC1 ZINC000626954431 451032125 /nfs/dbraw/zinc/03/21/25/451032125.db2.gz XVKCDFPEAFHMHC-UHFFFAOYSA-N 2 0 338.496 1.448 20 0 EDADRP C[C@@H]1CCN(S(=O)(=O)CC2(N(C)C)CC2)C[C@H]1n1ccnc1 ZINC000632100092 451036333 /nfs/dbraw/zinc/03/63/33/451036333.db2.gz UQTGXMNXLYIQBK-ZIAGYGMSSA-N 2 0 326.466 1.190 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000627014352 451079213 /nfs/dbraw/zinc/07/92/13/451079213.db2.gz TZRJZUSQFNJOAP-AKHDSKFASA-N 2 0 342.487 1.948 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627014676 451079329 /nfs/dbraw/zinc/07/93/29/451079329.db2.gz DDRKTGYPCMZJQL-ROUUACIJSA-N 2 0 348.491 1.431 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CCO1 ZINC000622185600 451093979 /nfs/dbraw/zinc/09/39/79/451093979.db2.gz JCNPWVPCYDGKLA-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626979343 451048683 /nfs/dbraw/zinc/04/86/83/451048683.db2.gz XOQSATZSVFFCFB-NTZNESFSSA-N 2 0 334.386 1.392 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc2ccccc2c1 ZINC000627082543 451115563 /nfs/dbraw/zinc/11/55/63/451115563.db2.gz GSMABZPUMCFSMG-DLBZAZTESA-N 2 0 328.416 1.127 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000635629843 451118533 /nfs/dbraw/zinc/11/85/33/451118533.db2.gz HUYKDTLWZORZHH-MJGOQNOKSA-N 2 0 331.460 1.081 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000635629846 451119421 /nfs/dbraw/zinc/11/94/21/451119421.db2.gz HUYKDTLWZORZHH-PKOBYXMFSA-N 2 0 331.460 1.081 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622356363 451131838 /nfs/dbraw/zinc/13/18/38/451131838.db2.gz JEKMKHVENLKRQM-QGZVFWFLSA-N 2 0 334.464 1.326 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000627116729 451132445 /nfs/dbraw/zinc/13/24/45/451132445.db2.gz PQQBYRGPKNFZNT-OAHLLOKOSA-N 2 0 326.485 1.256 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000627126727 451139772 /nfs/dbraw/zinc/13/97/72/451139772.db2.gz JMVJFQDMJSTHBU-OAHLLOKOSA-N 2 0 336.480 1.167 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627175953 451165978 /nfs/dbraw/zinc/16/59/78/451165978.db2.gz DSFRZYJMHIKDRG-QGZVFWFLSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@H](C)CN1C(=O)NCCOCCC[NH3+] ZINC000627214914 451191034 /nfs/dbraw/zinc/19/10/34/451191034.db2.gz APLABQSUZAYBBX-IAGOWNOFSA-N 2 0 348.491 1.656 20 0 EDADRP CN(C(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000627214736 451191164 /nfs/dbraw/zinc/19/11/64/451191164.db2.gz YGCBZADTDZAYDF-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP CN(C(=O)NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627216198 451192066 /nfs/dbraw/zinc/19/20/66/451192066.db2.gz SMESFNRRCQMMNX-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CCSC1 ZINC000628544389 451286050 /nfs/dbraw/zinc/28/60/50/451286050.db2.gz JEONIJGBYDPKEI-HZPDHXFCSA-N 2 0 325.522 1.947 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000638084377 451247395 /nfs/dbraw/zinc/24/73/95/451247395.db2.gz KQWIERRLBBRZKJ-UHFFFAOYSA-N 2 0 331.416 1.917 20 0 EDADRP C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C[NH2+]CCO1 ZINC000638085163 451250394 /nfs/dbraw/zinc/25/03/94/451250394.db2.gz OIYJECXRPKMGNO-YOEHRIQHSA-N 2 0 337.489 1.455 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638093100 451258507 /nfs/dbraw/zinc/25/85/07/451258507.db2.gz AXJNRITVUATABV-RYQLBKOJSA-N 2 0 331.460 1.616 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000638095510 451260928 /nfs/dbraw/zinc/26/09/28/451260928.db2.gz UKVIEZGEHHYHHP-ZWKOTPCHSA-N 2 0 330.476 1.142 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2csnn2)cc1 ZINC000625285789 451261696 /nfs/dbraw/zinc/26/16/96/451261696.db2.gz GSEISXPIONNRPW-UHFFFAOYSA-N 2 0 347.488 1.771 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638128391 451298245 /nfs/dbraw/zinc/29/82/45/451298245.db2.gz SGSMTXPIWGWWHU-AEFFLSMTSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)C[N@@H+]1Cc1ccccc1 ZINC000638127906 451298985 /nfs/dbraw/zinc/29/89/85/451298985.db2.gz FPWJZJAZNCMAKW-XJKSGUPXSA-N 2 0 325.416 1.328 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638136692 451310745 /nfs/dbraw/zinc/31/07/45/451310745.db2.gz LASIXAVDYCSJLK-MRXNPFEDSA-N 2 0 333.480 1.213 20 0 EDADRP CC[NH2+][C@H](C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137415 451311261 /nfs/dbraw/zinc/31/12/61/451311261.db2.gz KCHSMCXHZRBHGY-ZIAGYGMSSA-N 2 0 336.455 1.753 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142490 451316675 /nfs/dbraw/zinc/31/66/75/451316675.db2.gz CHWNXTOEOIRNRK-FHWLQOOXSA-N 2 0 344.503 1.436 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000636580965 451321949 /nfs/dbraw/zinc/32/19/49/451321949.db2.gz RANXYVAXEUAIDN-AWEZNQCLSA-N 2 0 334.468 1.613 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638153231 451323734 /nfs/dbraw/zinc/32/37/34/451323734.db2.gz CVTWXRXSZIAWIH-SUMDDJOVSA-N 2 0 331.460 1.379 20 0 EDADRP [NH3+][C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)C1CC1 ZINC000638155053 451326057 /nfs/dbraw/zinc/32/60/57/451326057.db2.gz RPKCRZWHUZJHMH-QWFCFKBJSA-N 2 0 343.471 1.379 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)c1 ZINC000638243149 451378218 /nfs/dbraw/zinc/37/82/18/451378218.db2.gz YZQAVSYNUPWKKK-QGZVFWFLSA-N 2 0 341.411 1.686 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638251657 451381306 /nfs/dbraw/zinc/38/13/06/451381306.db2.gz IOHNSNOZMPJXJL-POAQFYNOSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638256717 451382537 /nfs/dbraw/zinc/38/25/37/451382537.db2.gz QVJWTNYUDKZIMS-RIVXBTQJSA-N 2 0 331.460 1.377 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638256715 451383278 /nfs/dbraw/zinc/38/32/78/451383278.db2.gz QVJWTNYUDKZIMS-MFWIUYSUSA-N 2 0 331.460 1.377 20 0 EDADRP CO[C@@]1(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOC1 ZINC000638273408 451391666 /nfs/dbraw/zinc/39/16/66/451391666.db2.gz JEIBPKWHACROJZ-RBUKOAKNSA-N 2 0 333.476 1.370 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000638275239 451393830 /nfs/dbraw/zinc/39/38/30/451393830.db2.gz LKTOBGLEFGVWLK-JFUPDXTOSA-N 2 0 333.476 1.802 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC(OCCC[NH+](C)C)CC2)c1 ZINC000638298410 451413437 /nfs/dbraw/zinc/41/34/37/451413437.db2.gz PPUYTMNPYCUWEC-GOSISDBHSA-N 2 0 349.475 1.654 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000630841948 451431463 /nfs/dbraw/zinc/43/14/63/451431463.db2.gz FVAQNHRSJNACEL-UHFFFAOYSA-N 2 0 347.507 1.783 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2cnn(CC[NH+](C)C)c2)[NH+](C)C)cc1 ZINC000630840183 451431765 /nfs/dbraw/zinc/43/17/65/451431765.db2.gz YQCVSWJPNWDDNG-SFHVURJKSA-N 2 0 343.475 1.786 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638328496 451437524 /nfs/dbraw/zinc/43/75/24/451437524.db2.gz JMBRZNVXWLXZPB-QYZOEREBSA-N 2 0 344.503 1.436 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000638348450 451450285 /nfs/dbraw/zinc/45/02/85/451450285.db2.gz LFPUTNFOSUKINM-DOTOQJQBSA-N 2 0 349.450 1.437 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000638350722 451451913 /nfs/dbraw/zinc/45/19/13/451451913.db2.gz ADMYOMIEVJXOOS-ROUUACIJSA-N 2 0 345.487 1.802 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CCCC[NH2+]1 ZINC000638351887 451452905 /nfs/dbraw/zinc/45/29/05/451452905.db2.gz KWNMZAXFWNISLR-ZIFCJYIRSA-N 2 0 349.450 1.628 20 0 EDADRP CC1(C)C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000634679422 451464060 /nfs/dbraw/zinc/46/40/60/451464060.db2.gz UNQQFTQOLWRAFJ-QGZVFWFLSA-N 2 0 347.507 1.926 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000636048356 451465470 /nfs/dbraw/zinc/46/54/70/451465470.db2.gz VIQJAWCZNHWCEX-MOPGFXCFSA-N 2 0 345.487 1.472 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638369463 451466518 /nfs/dbraw/zinc/46/65/18/451466518.db2.gz RMUSKKACKRDVPH-ZTTFOMCMSA-N 2 0 345.487 1.767 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@]2(OC)CCOC2)CC1 ZINC000638373719 451470042 /nfs/dbraw/zinc/47/00/42/451470042.db2.gz IHEJLYHSKTXXEU-FQEVSTJZSA-N 2 0 347.503 1.719 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2oc(C[NH3+])cc2C)cc1 ZINC000638413510 451499506 /nfs/dbraw/zinc/49/95/06/451499506.db2.gz YZRWTWDVXXVDHB-IRXDYDNUSA-N 2 0 343.427 1.931 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C[NH+](C)C1CC1 ZINC000634724554 451505664 /nfs/dbraw/zinc/50/56/64/451505664.db2.gz SHVIGWZEOSXXOP-YVWKXTFCSA-N 2 0 331.504 1.799 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000632702628 451528229 /nfs/dbraw/zinc/52/82/29/451528229.db2.gz YFKIZUZLDVUBKR-UHFFFAOYSA-N 2 0 343.475 1.479 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)C1 ZINC000631043631 451550285 /nfs/dbraw/zinc/55/02/85/451550285.db2.gz ZNOLFAUOKFSRHE-IAGOWNOFSA-N 2 0 335.496 1.916 20 0 EDADRP O=C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000634782066 451545914 /nfs/dbraw/zinc/54/59/14/451545914.db2.gz ZWYSTFUFZCUAGR-KDURUIRLSA-N 2 0 343.471 1.477 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638506702 451551317 /nfs/dbraw/zinc/55/13/17/451551317.db2.gz XWJYZELZPHSCGW-GOSISDBHSA-N 2 0 342.487 1.600 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CS1 ZINC000638530353 451560866 /nfs/dbraw/zinc/56/08/66/451560866.db2.gz SGMQKDWBWMDCIM-HZPDHXFCSA-N 2 0 335.521 1.862 20 0 EDADRP CO[C@H](C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000638587168 451592047 /nfs/dbraw/zinc/59/20/47/451592047.db2.gz BFAGJFUTHJJWIS-SJLPKXTDSA-N 2 0 325.497 1.186 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000638602040 451601017 /nfs/dbraw/zinc/60/10/17/451601017.db2.gz JYVQBHOEGVJMRS-SFHVURJKSA-N 2 0 343.471 1.587 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCN(C[C@H]3CCCC[NH+]3C)CC2)CC[N@@H+]1C ZINC000631140034 451604951 /nfs/dbraw/zinc/60/49/51/451604951.db2.gz KEUHNGRIQWZTHG-FGTMMUONSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@@H](CNC(=O)N(C)Cc1ncc[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000632843736 451609515 /nfs/dbraw/zinc/60/95/15/451609515.db2.gz CMXWOGRVAVBRDE-AWEZNQCLSA-N 2 0 327.432 1.998 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000638564127 451578509 /nfs/dbraw/zinc/57/85/09/451578509.db2.gz SLHMFSFMROWGHV-KKZNHRDASA-N 2 0 347.303 1.514 20 0 EDADRP CCC[C@@H]([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836165 451621721 /nfs/dbraw/zinc/62/17/21/451621721.db2.gz BSTYGCJDUNTWQT-WBVHZDCISA-N 2 0 344.463 1.497 20 0 EDADRP [NH3+]CC1(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000638634641 451623058 /nfs/dbraw/zinc/62/30/58/451623058.db2.gz SLDIMZQPRGOGSB-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCN1 ZINC000634960202 451625760 /nfs/dbraw/zinc/62/57/60/451625760.db2.gz LQTOEDHHRBAUOR-QGZVFWFLSA-N 2 0 331.460 1.402 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@H](C)[NH2+]C3)cc2)CC1 ZINC000638644674 451627680 /nfs/dbraw/zinc/62/76/80/451627680.db2.gz RRKKGWIPVZWGES-RDJZCZTQSA-N 2 0 330.476 1.699 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCN1 ZINC000634975422 451632735 /nfs/dbraw/zinc/63/27/35/451632735.db2.gz YFTAINPASPGUSR-MSOLQXFVSA-N 2 0 331.460 1.402 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664732 451639960 /nfs/dbraw/zinc/63/99/60/451639960.db2.gz URCAQFUHVKHKJX-UONOGXRCSA-N 2 0 346.258 1.701 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)OCC[NH2+]C2)c1ccc(F)cc1 ZINC000638670941 451643608 /nfs/dbraw/zinc/64/36/08/451643608.db2.gz JDMCCMXUNTYDBV-INIZCTEOSA-N 2 0 329.375 1.989 20 0 EDADRP C[N@H+](CC(=O)N1CCN(CCc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000636296190 451666115 /nfs/dbraw/zinc/66/61/15/451666115.db2.gz XOFFYVSCTXBTNX-QGZVFWFLSA-N 2 0 348.516 1.206 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784624 451690972 /nfs/dbraw/zinc/69/09/72/451690972.db2.gz VSLKBWTWCQSUHG-HZPDHXFCSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638786059 451691285 /nfs/dbraw/zinc/69/12/85/451691285.db2.gz IYGLWVPVRTWWOC-MJGOQNOKSA-N 2 0 343.471 1.838 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC2CCS(=O)(=O)CC2)CC1 ZINC000638799842 451694694 /nfs/dbraw/zinc/69/46/94/451694694.db2.gz RCMRTHCSQKZETM-UHFFFAOYSA-N 2 0 332.510 1.026 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)c1ccc2c(c1)CC[NH2+]CC2 ZINC000638845310 451708777 /nfs/dbraw/zinc/70/87/77/451708777.db2.gz MLTGVPMPMCHFKS-UHFFFAOYSA-N 2 0 335.451 1.951 20 0 EDADRP O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851665 451710366 /nfs/dbraw/zinc/71/03/66/451710366.db2.gz ORUJWDHLUAXXQQ-LJQANCHMSA-N 2 0 344.503 1.453 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852621 451711090 /nfs/dbraw/zinc/71/10/90/451711090.db2.gz ZINFHSAYSZEMGC-OALUTQOASA-N 2 0 346.519 1.826 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000638974531 451744351 /nfs/dbraw/zinc/74/43/51/451744351.db2.gz AABCDDRLRJCCBM-ZRGWGRIASA-N 2 0 337.508 1.852 20 0 EDADRP C[C@@H](Oc1ccccc1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986783 451747386 /nfs/dbraw/zinc/74/73/86/451747386.db2.gz BILRTQODFYSFIN-CQSZACIVSA-N 2 0 326.400 1.897 20 0 EDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000639020511 451753041 /nfs/dbraw/zinc/75/30/41/451753041.db2.gz AKHZFHGYKVXZIP-WMLDXEAASA-N 2 0 339.443 1.585 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000639190577 451789195 /nfs/dbraw/zinc/78/91/95/451789195.db2.gz NTEDPUCPXZLFBI-UYAOXDASSA-N 2 0 332.488 1.978 20 0 EDADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000649072009 451807839 /nfs/dbraw/zinc/80/78/39/451807839.db2.gz WVHCRNBRPYACCS-WBVHZDCISA-N 2 0 346.475 1.258 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)[C@]2(O)CCCOC2)CC1 ZINC000639330119 451829626 /nfs/dbraw/zinc/82/96/26/451829626.db2.gz QUXBCXPGDAVBSO-SFHVURJKSA-N 2 0 328.497 1.379 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000644561847 451863067 /nfs/dbraw/zinc/86/30/67/451863067.db2.gz GUARPATXXCJKGK-KRWDZBQOSA-N 2 0 348.466 1.912 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCC(=O)Nc3cccnc3)C2)CC1 ZINC000644562018 451863553 /nfs/dbraw/zinc/86/35/53/451863553.db2.gz OHRHYWGGUADWHB-INIZCTEOSA-N 2 0 331.464 1.168 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)COCc2cccs2)CC1 ZINC000644584174 451876969 /nfs/dbraw/zinc/87/69/69/451876969.db2.gz MADYVNMMXXCKAC-INIZCTEOSA-N 2 0 341.521 1.241 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000637471594 451888623 /nfs/dbraw/zinc/88/86/23/451888623.db2.gz WGDBARXINBKQLA-HLLBOEOZSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1cc(Br)c(CNCC(=O)N2CCN(C)CC2)s1 ZINC000651581659 451934436 /nfs/dbraw/zinc/93/44/36/451934436.db2.gz JOJZCGPEUDBZKL-UHFFFAOYSA-N 2 0 346.294 1.683 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2cccc(C[NH3+])c2)CC1=O ZINC000649268550 451941554 /nfs/dbraw/zinc/94/15/54/451941554.db2.gz QODZIXGPFQLJSB-WBVHZDCISA-N 2 0 344.459 1.417 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649280872 451952158 /nfs/dbraw/zinc/95/21/58/451952158.db2.gz QLYFUNALJFGNON-OAHLLOKOSA-N 2 0 339.505 1.655 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(COC)CCC[NH2+]1)Cc1ccccc1 ZINC000649292470 451967748 /nfs/dbraw/zinc/96/77/48/451967748.db2.gz IYTZLDHVLRVCQE-QUCCMNQESA-N 2 0 347.503 1.824 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cnn1C ZINC000649293511 451969651 /nfs/dbraw/zinc/96/96/51/451969651.db2.gz WPVRIULIUKJSPC-JFTQMJAMSA-N 2 0 347.507 1.268 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)ccc1OCC[NH+](C)C ZINC000649302080 451978562 /nfs/dbraw/zinc/97/85/62/451978562.db2.gz TYCUVPLBLJBGAP-INIZCTEOSA-N 2 0 335.448 1.250 20 0 EDADRP C[N@@H+]1CC[C@@](N)(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000649304171 451979355 /nfs/dbraw/zinc/97/93/55/451979355.db2.gz LIZFDVBADDZJGN-IBGZPJMESA-N 2 0 330.476 1.687 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637663330 452005959 /nfs/dbraw/zinc/00/59/59/452005959.db2.gz BDZLPLOPGBEYBS-UHFFFAOYSA-N 2 0 336.484 1.955 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668327 452009940 /nfs/dbraw/zinc/00/99/40/452009940.db2.gz CIFOAMADNMBQLC-OAHLLOKOSA-N 2 0 348.495 1.955 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637668323 452010567 /nfs/dbraw/zinc/01/05/67/452010567.db2.gz FDTSVXFEDFEWHL-UHFFFAOYSA-N 2 0 348.495 1.955 20 0 EDADRP C[NH+](Cc1cncc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@H](O)C1CC1 ZINC000649342545 452023103 /nfs/dbraw/zinc/02/31/03/452023103.db2.gz WQMFYRVGEVLTKB-OALUTQOASA-N 2 0 333.476 1.487 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@]3(N)CC[N@H+](C)C3)CC2)CC1 ZINC000649344825 452026918 /nfs/dbraw/zinc/02/69/18/452026918.db2.gz RTCCSIKFTYREMC-TVPLGVNVSA-N 2 0 336.524 1.378 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)C[NH2+]C[C@H]2CCCO2)c2ccccc2O1 ZINC000649347006 452030502 /nfs/dbraw/zinc/03/05/02/452030502.db2.gz ABJORCYFYKOABW-CABCVRRESA-N 2 0 333.432 1.111 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)CC1 ZINC000649350535 452033921 /nfs/dbraw/zinc/03/39/21/452033921.db2.gz MBVLEXIXZLYRKO-QRVBRYPASA-N 2 0 342.487 1.191 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000643080993 452035861 /nfs/dbraw/zinc/03/58/61/452035861.db2.gz XSPVALMLRMJKGA-MJGOQNOKSA-N 2 0 349.450 1.660 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352627 452037336 /nfs/dbraw/zinc/03/73/36/452037336.db2.gz AXFOJUBHPBDJIN-HKUYNNGSSA-N 2 0 330.476 1.099 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])nc2)CC1 ZINC000649353547 452037674 /nfs/dbraw/zinc/03/76/74/452037674.db2.gz HBXKWFFGLOLYJP-PBHICJAKSA-N 2 0 345.491 1.926 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083855 452050948 /nfs/dbraw/zinc/05/09/48/452050948.db2.gz YYBPBJJKTCXAEW-KGLIPLIRSA-N 2 0 344.381 1.690 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC([NH+]2CCC[C@@H]2C(N)=O)CC1 ZINC000649393444 452062925 /nfs/dbraw/zinc/06/29/25/452062925.db2.gz OOJDFMOBYULREW-QZTJIDSGSA-N 2 0 336.524 1.663 20 0 EDADRP NC(=O)c1ccc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649413793 452075627 /nfs/dbraw/zinc/07/56/27/452075627.db2.gz GCBFOQCFOXNBAX-UHFFFAOYSA-N 2 0 330.476 1.687 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000637803144 452090322 /nfs/dbraw/zinc/09/03/22/452090322.db2.gz AHJQOOVKRXSYQG-RDJZCZTQSA-N 2 0 329.400 1.520 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637805188 452092508 /nfs/dbraw/zinc/09/25/08/452092508.db2.gz KNTSHJAPQXSMSX-QWFCFKBJSA-N 2 0 343.471 1.393 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CN(c3ccccc3)CCO1)CCO2 ZINC000653776638 452110987 /nfs/dbraw/zinc/11/09/87/452110987.db2.gz ALLCEDPGRGNCNA-IBGZPJMESA-N 2 0 345.487 1.688 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000653846008 452146661 /nfs/dbraw/zinc/14/66/61/452146661.db2.gz ISETZJKLPDIZMY-UHFFFAOYSA-N 2 0 336.480 1.872 20 0 EDADRP Cc1c(C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]3)C2)nnn1C1CC[NH2+]CC1 ZINC000645104567 452154127 /nfs/dbraw/zinc/15/41/27/452154127.db2.gz OUHWZWYZQQEBMV-GOEBONIOSA-N 2 0 346.479 1.115 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000645104688 452154367 /nfs/dbraw/zinc/15/43/67/452154367.db2.gz QSNRVVOKDBIXRS-ZAHIEGGZSA-N 2 0 335.492 1.510 20 0 EDADRP O[C@@H]1CC[N@@H+](C2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)C1 ZINC000651978308 452201642 /nfs/dbraw/zinc/20/16/42/452201642.db2.gz DRRQBZGRRRSUKC-LJQANCHMSA-N 2 0 345.487 1.412 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655468503 452262811 /nfs/dbraw/zinc/26/28/11/452262811.db2.gz SRXCQZCIGVJXHB-PKOBYXMFSA-N 2 0 328.460 1.552 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1n1cccn1 ZINC000657477318 452271578 /nfs/dbraw/zinc/27/15/78/452271578.db2.gz ZDHUYHGCKAGLNK-KURKYZTESA-N 2 0 338.415 1.972 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000659432530 452278965 /nfs/dbraw/zinc/27/89/65/452278965.db2.gz BEVIEHCAJQLJCB-HZPDHXFCSA-N 2 0 338.427 1.208 20 0 EDADRP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)C1CCOCC1 ZINC000638033567 452286758 /nfs/dbraw/zinc/28/67/58/452286758.db2.gz FWUJWMAOUSQCEV-RTBURBONSA-N 2 0 339.524 1.530 20 0 EDADRP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000643533976 452298267 /nfs/dbraw/zinc/29/82/67/452298267.db2.gz IWIGYNMPGFRAEG-BBRMVZONSA-N 2 0 337.489 1.730 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536116 452300902 /nfs/dbraw/zinc/30/09/02/452300902.db2.gz MVOGRYAEBVTHRI-CJNGLKHVSA-N 2 0 337.489 1.744 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCC(C)(C)[NH3+])cc1 ZINC000641821081 452302744 /nfs/dbraw/zinc/30/27/44/452302744.db2.gz DKMWINHQYWOQRP-UHFFFAOYSA-N 2 0 334.464 1.711 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659457759 452311277 /nfs/dbraw/zinc/31/12/77/452311277.db2.gz KLBOSIQLIJSOKI-IPMKNSEASA-N 2 0 342.487 1.916 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659459881 452311851 /nfs/dbraw/zinc/31/18/51/452311851.db2.gz HDXJRJXAFBYYAU-QGZVFWFLSA-N 2 0 340.512 1.376 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049005 452318112 /nfs/dbraw/zinc/31/81/12/452318112.db2.gz RKMHGXSKJQFMCG-OALUTQOASA-N 2 0 341.455 1.984 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663607921 452335022 /nfs/dbraw/zinc/33/50/22/452335022.db2.gz AONPPFPGBOEOBG-MRXNPFEDSA-N 2 0 344.459 1.322 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC/C=C/C[NH3+])CC1 ZINC000641869789 452336148 /nfs/dbraw/zinc/33/61/48/452336148.db2.gz GYQPRLRHEVOBRF-ONEGZZNKSA-N 2 0 326.485 1.281 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145034 452337293 /nfs/dbraw/zinc/33/72/93/452337293.db2.gz ASEPSXTUAFBVLB-MWDXBVQZSA-N 2 0 340.512 1.645 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000641876674 452338166 /nfs/dbraw/zinc/33/81/66/452338166.db2.gz RHNPRQDLIFFJQE-SFHVURJKSA-N 3 0 349.523 1.384 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482055 452341259 /nfs/dbraw/zinc/34/12/59/452341259.db2.gz UGDRXVVHINIUDE-DZOHQFGASA-N 2 0 348.466 1.978 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652150086 452342684 /nfs/dbraw/zinc/34/26/84/452342684.db2.gz LTHHKSZPPRYMFJ-CGTJXYLNSA-N 2 0 348.491 1.512 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638060569 452350963 /nfs/dbraw/zinc/35/09/63/452350963.db2.gz XJAJTKKNRZAKFS-ROUUACIJSA-N 2 0 332.492 1.388 20 0 EDADRP CCC1([NH+](C)C)CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000640017129 452355974 /nfs/dbraw/zinc/35/59/74/452355974.db2.gz CLNMBVFFESLYRX-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)CCC3C[NH2+]C3)cc2)C[C@H](C)O1 ZINC000638062616 452357502 /nfs/dbraw/zinc/35/75/02/452357502.db2.gz HIEHDASIXBDTRM-IYBDPMFKSA-N 2 0 345.487 1.912 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])CC1 ZINC000638063438 452360654 /nfs/dbraw/zinc/36/06/54/452360654.db2.gz NAFCYHWZJYMAFP-ZWKOTPCHSA-N 2 0 331.460 1.651 20 0 EDADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000663629128 452367500 /nfs/dbraw/zinc/36/75/00/452367500.db2.gz NOVBQTOPBVFRIW-IAGOWNOFSA-N 2 0 341.544 1.432 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638067524 452370388 /nfs/dbraw/zinc/37/03/88/452370388.db2.gz DRMVHUOJBJRMGR-ZBFHGGJFSA-N 2 0 325.478 1.626 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638067521 452370601 /nfs/dbraw/zinc/37/06/01/452370601.db2.gz DRMVHUOJBJRMGR-GOEBONIOSA-N 2 0 325.478 1.626 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000638067125 452370708 /nfs/dbraw/zinc/37/07/08/452370708.db2.gz AKETWURDVJVXAV-RKVPGOIHSA-N 2 0 333.476 1.944 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638067008 452370791 /nfs/dbraw/zinc/37/07/91/452370791.db2.gz PTZKBWADRXYLQJ-DFGXFYAUSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638069451 452374787 /nfs/dbraw/zinc/37/47/87/452374787.db2.gz KEEZSHATJKVVJM-WMZOPIPTSA-N 2 0 332.492 1.294 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659513907 452377468 /nfs/dbraw/zinc/37/74/68/452377468.db2.gz MCMHCZUWNHYDDJ-FUHWJXTLSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663644707 452387875 /nfs/dbraw/zinc/38/78/75/452387875.db2.gz ZSOXJXQTFXSYLC-NVXWUHKLSA-N 2 0 338.496 1.101 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659534482 452394465 /nfs/dbraw/zinc/39/44/65/452394465.db2.gz AJWLAXTZIAFUND-ROUUACIJSA-N 2 0 345.491 1.863 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659536584 452395358 /nfs/dbraw/zinc/39/53/58/452395358.db2.gz OFAAQCAGXMSASZ-IKGGRYGDSA-N 2 0 334.439 1.713 20 0 EDADRP C[C@@H](CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000638081267 452397743 /nfs/dbraw/zinc/39/77/43/452397743.db2.gz WHDRQXBBMCOVAU-INIZCTEOSA-N 2 0 332.492 1.436 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659542248 452400662 /nfs/dbraw/zinc/40/06/62/452400662.db2.gz ZIEKKYJDNXANCP-YLFCFFPRSA-N 2 0 334.439 1.840 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659555663 452411750 /nfs/dbraw/zinc/41/17/50/452411750.db2.gz NNRDORLVQRHXIA-QQHRNGFRSA-N 2 0 340.418 1.835 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000659557638 452415131 /nfs/dbraw/zinc/41/51/31/452415131.db2.gz UBLIUTLFORUHMU-YYIAUSFCSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582062 452438415 /nfs/dbraw/zinc/43/84/15/452438415.db2.gz OTZVGPPPBHBHKT-WRFANHODSA-N 2 0 334.439 1.650 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000659588035 452444286 /nfs/dbraw/zinc/44/42/86/452444286.db2.gz CLANGQCNFNIDDL-DACLVMHWSA-N 2 0 346.475 1.519 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000659587860 452444290 /nfs/dbraw/zinc/44/42/90/452444290.db2.gz KDBOHMUAMMROHL-IRXDYDNUSA-N 2 0 346.475 1.664 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H](C)C[NH2+]1 ZINC000659589514 452446110 /nfs/dbraw/zinc/44/61/10/452446110.db2.gz RIEAPPDJECGHHJ-BQGCOEIASA-N 2 0 334.439 1.663 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CNc2ccccc2C1 ZINC000652262524 452451979 /nfs/dbraw/zinc/45/19/79/452451979.db2.gz XNOVGQLYICJHHZ-INIZCTEOSA-N 2 0 333.480 1.158 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000659633022 452496473 /nfs/dbraw/zinc/49/64/73/452496473.db2.gz AHWHXYWAYGWYEW-VQIMIIECSA-N 2 0 330.476 1.902 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)CC1 ZINC000654437743 452497811 /nfs/dbraw/zinc/49/78/11/452497811.db2.gz SRYLIKKQEGFLFQ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](O)[C@H]2C)CC1 ZINC000650080737 452504410 /nfs/dbraw/zinc/50/44/10/452504410.db2.gz MFNYWIYRESEOPE-APWZRJJASA-N 2 0 345.487 1.531 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655690061 452512781 /nfs/dbraw/zinc/51/27/81/452512781.db2.gz UDEJWWJUSBSORB-HKUYNNGSSA-N 2 0 338.540 1.245 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)cc1 ZINC000655695508 452516828 /nfs/dbraw/zinc/51/68/28/452516828.db2.gz ZRBZFLUTKLKMOH-LJQANCHMSA-N 2 0 347.503 1.970 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)C1 ZINC000652348816 452526739 /nfs/dbraw/zinc/52/67/39/452526739.db2.gz SDAHXXYQXNNTFG-SYQHCUMBSA-N 2 0 349.397 1.368 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)on2)cn1 ZINC000652349428 452527277 /nfs/dbraw/zinc/52/72/77/452527277.db2.gz OPUROMZGHBASHI-JCKWVBRZSA-N 2 0 345.447 1.793 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H](C)[NH3+])C(=O)NCc1cccs1 ZINC000647802898 452533295 /nfs/dbraw/zinc/53/32/95/452533295.db2.gz XXZYXJXXGBZBBT-CYUUQNCZSA-N 2 0 325.478 1.485 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655719075 452534254 /nfs/dbraw/zinc/53/42/54/452534254.db2.gz PCJHUURREMYVLD-IBGZPJMESA-N 2 0 338.540 1.245 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655722952 452537478 /nfs/dbraw/zinc/53/74/78/452537478.db2.gz JUDKGVGKNGTRPI-QGZVFWFLSA-N 2 0 325.497 1.065 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccccc2)C1 ZINC000652360920 452541335 /nfs/dbraw/zinc/54/13/35/452541335.db2.gz TZAJGSDCAHLAFU-SQNIBIBYSA-N 2 0 331.460 1.664 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](COC)CC2CCOCC2)CC1 ZINC000657837139 452559334 /nfs/dbraw/zinc/55/93/34/452559334.db2.gz QNVCAXIGBNSKFI-AEFFLSMTSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652376010 452565123 /nfs/dbraw/zinc/56/51/23/452565123.db2.gz PBKDFOANWJZIAO-RDJZCZTQSA-N 2 0 337.489 1.498 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)cn1 ZINC000647883515 452620510 /nfs/dbraw/zinc/62/05/10/452620510.db2.gz YRUSAKJBMACVPW-UHFFFAOYSA-N 2 0 347.507 1.642 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647902831 452644756 /nfs/dbraw/zinc/64/47/56/452644756.db2.gz COSPUYBFNOXTLT-DLBZAZTESA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CCCCO3)C2)CC1 ZINC000661879926 452647485 /nfs/dbraw/zinc/64/74/85/452647485.db2.gz GDJALEIQCUZWKO-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000663938028 452658660 /nfs/dbraw/zinc/65/86/60/452658660.db2.gz VTRPCVCFOUIMOI-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647934457 452676168 /nfs/dbraw/zinc/67/61/68/452676168.db2.gz GFXSNYMLWUJZOH-NXHRZFHOSA-N 2 0 332.492 1.465 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000655916624 452677372 /nfs/dbraw/zinc/67/73/72/452677372.db2.gz FHKSIQFOFNMTOT-UONOGXRCSA-N 2 0 344.381 1.840 20 0 EDADRP CCCN(C(=O)C(=O)NCCC[NH+](C)CC(C)C)[C@H]1CC[N@H+](C)C1 ZINC000652494081 452688425 /nfs/dbraw/zinc/68/84/25/452688425.db2.gz VERKHYYUDGZIRU-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP CC(C)c1nc(N(C)C)nc(N2CCC(CO)([NH2+]CC3CC3)CC2)n1 ZINC000663992977 452694781 /nfs/dbraw/zinc/69/47/81/452694781.db2.gz XATWBFNEXVJPRN-UHFFFAOYSA-N 2 0 348.495 1.392 20 0 EDADRP O=C(CCN1CC[NH2+]C[C@@H]1c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000647953301 452698250 /nfs/dbraw/zinc/69/82/50/452698250.db2.gz FNKFNVCQCYEIKB-MRXNPFEDSA-N 2 0 336.867 1.108 20 0 EDADRP C[NH+]1CCC(CNc2[nH+]ccc3[nH]ccc32)(N2CCOCC2)CC1 ZINC000664012263 452714864 /nfs/dbraw/zinc/71/48/64/452714864.db2.gz RERJUHZLEZYRJS-UHFFFAOYSA-N 2 0 329.448 1.771 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)CC12CCOCC2 ZINC000647985694 452729815 /nfs/dbraw/zinc/72/98/15/452729815.db2.gz PBDZNOPADLEGIB-HNNXBMFYSA-N 2 0 344.459 1.819 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655958846 452738299 /nfs/dbraw/zinc/73/82/99/452738299.db2.gz OTQVQOCSAZZUQJ-SJORKVTESA-N 2 0 342.443 1.361 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655958841 452739638 /nfs/dbraw/zinc/73/96/38/452739638.db2.gz OTQVQOCSAZZUQJ-DLBZAZTESA-N 2 0 342.443 1.361 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139675 452747686 /nfs/dbraw/zinc/74/76/86/452747686.db2.gz QXFXBPQCRPZTAU-RHSMWYFYSA-N 2 0 340.489 1.166 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C1 ZINC000655970993 452752498 /nfs/dbraw/zinc/75/24/98/452752498.db2.gz PRBPGEHEWHLQRO-XBVQOTNRSA-N 2 0 338.496 1.255 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC1CC[NH2+]CC1 ZINC000652642615 452799687 /nfs/dbraw/zinc/79/96/87/452799687.db2.gz CLDUXHJCVRSEIK-UHFFFAOYSA-N 2 0 346.475 1.235 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119217 452835084 /nfs/dbraw/zinc/83/50/84/452835084.db2.gz ZNXAQZSYOSOHLB-UONOGXRCSA-N 2 0 334.489 1.613 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119167 452835757 /nfs/dbraw/zinc/83/57/57/452835757.db2.gz WIQDZCOGWMQHAK-COMQUAJESA-N 2 0 332.473 1.079 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000664180805 452848736 /nfs/dbraw/zinc/84/87/36/452848736.db2.gz ADYUOCHLDZCGMG-RDJZCZTQSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H](NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000664181359 452849601 /nfs/dbraw/zinc/84/96/01/452849601.db2.gz IPERZGGJXQXIQU-JKSUJKDBSA-N 3 0 341.544 1.288 20 0 EDADRP CCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658361707 452872032 /nfs/dbraw/zinc/87/20/32/452872032.db2.gz ODJMTXJFQRXIKD-QGZVFWFLSA-N 2 0 346.475 1.548 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000648165367 452876079 /nfs/dbraw/zinc/87/60/79/452876079.db2.gz NHYHMYFCYIPBEL-BWTSREIZSA-N 2 0 339.483 1.967 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccn2)CC1)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662147845 452881779 /nfs/dbraw/zinc/88/17/79/452881779.db2.gz WQUHRQCNMWEEPR-GPMSIDNRSA-N 2 0 346.475 1.069 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000645908278 452891927 /nfs/dbraw/zinc/89/19/27/452891927.db2.gz DZMDGZVZSUCFIA-KRWDZBQOSA-N 2 0 349.475 1.258 20 0 EDADRP C[C@H]1CN(CCNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H](C)CO1 ZINC000664234122 452909879 /nfs/dbraw/zinc/90/98/79/452909879.db2.gz QLTWXDJIEOFQRZ-ZSNVMCELSA-N 2 0 338.496 1.410 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000645933856 452912197 /nfs/dbraw/zinc/91/21/97/452912197.db2.gz BISIEDGAQRFCEP-UHFFFAOYSA-N 2 0 331.416 1.651 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722369 452951662 /nfs/dbraw/zinc/95/16/62/452951662.db2.gz QXZDJBAVGRRQDH-KURKYZTESA-N 2 0 331.460 1.907 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)C1 ZINC000650721968 452952701 /nfs/dbraw/zinc/95/27/01/452952701.db2.gz HIOBYBFRVNOEPI-SQNIBIBYSA-N 2 0 345.491 1.938 20 0 EDADRP Cc1cccc(C(=O)N2CCC[N@H+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662250854 452974492 /nfs/dbraw/zinc/97/44/92/452974492.db2.gz PUUGKMQWMCNWLI-GOSISDBHSA-N 2 0 343.471 1.664 20 0 EDADRP Cc1cccc(C(=O)N2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c1 ZINC000662250855 452974971 /nfs/dbraw/zinc/97/49/71/452974971.db2.gz PUUGKMQWMCNWLI-SFHVURJKSA-N 2 0 343.471 1.664 20 0 EDADRP CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662250724 452976383 /nfs/dbraw/zinc/97/63/83/452976383.db2.gz MSRYRIQUHACRES-MRXNPFEDSA-N 2 0 337.489 1.236 20 0 EDADRP Cc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250766 452976544 /nfs/dbraw/zinc/97/65/44/452976544.db2.gz NOWHGRSEARRHSD-QGZVFWFLSA-N 2 0 343.471 1.710 20 0 EDADRP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000650764262 452978641 /nfs/dbraw/zinc/97/86/41/452978641.db2.gz UTSXFJAYMRPRGX-CQSZACIVSA-N 2 0 339.505 1.977 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000646003205 452997509 /nfs/dbraw/zinc/99/75/09/452997509.db2.gz WKGZBEHFARKPDT-HKUYNNGSSA-N 2 0 342.487 1.112 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)N1CCO[C@H]2CCCC[C@H]21 ZINC000662291119 453013621 /nfs/dbraw/zinc/01/36/21/453013621.db2.gz BITMBLRSJIDQFV-QRVBRYPASA-N 2 0 349.519 1.868 20 0 EDADRP O=C(C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)N1CCCC1 ZINC000662327299 453045087 /nfs/dbraw/zinc/04/50/87/453045087.db2.gz MKWWTKOAJBFDQX-UHFFFAOYSA-N 2 0 345.491 1.679 20 0 EDADRP FC(F)COCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338702 453055352 /nfs/dbraw/zinc/05/53/52/453055352.db2.gz UBOYMUROFXFZLO-ZDUSSCGKSA-N 2 0 343.422 1.280 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662338209 453056910 /nfs/dbraw/zinc/05/69/10/453056910.db2.gz HSNWWBZVYNDKRX-OAHLLOKOSA-N 2 0 332.448 1.746 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[NH2+]C3)c(C)c2)CC1 ZINC000666676644 453060815 /nfs/dbraw/zinc/06/08/15/453060815.db2.gz KYMVBKCNXVMUPL-KRWDZBQOSA-N 2 0 345.491 1.963 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]([NH3+])COC(C)C)[NH+]1CCCC1 ZINC000662346474 453063210 /nfs/dbraw/zinc/06/32/10/453063210.db2.gz SAISSLRQWMRJJR-DLBZAZTESA-N 2 0 349.475 1.701 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103504 453103418 /nfs/dbraw/zinc/10/34/18/453103418.db2.gz VYGGOXUNUNKATR-GOSISDBHSA-N 2 0 348.487 1.840 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)c1 ZINC000662399615 453110247 /nfs/dbraw/zinc/11/02/47/453110247.db2.gz XQZLOIJPEYNWPW-UHFFFAOYSA-N 2 0 328.420 1.564 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402924 453114605 /nfs/dbraw/zinc/11/46/05/453114605.db2.gz GPZZATQOSUXIKI-KGLIPLIRSA-N 2 0 334.464 1.992 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000660237423 453147448 /nfs/dbraw/zinc/14/74/48/453147448.db2.gz CJBCCDQVWUPZHW-CABCVRRESA-N 2 0 345.281 1.773 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000660237425 453147472 /nfs/dbraw/zinc/14/74/72/453147472.db2.gz CJBCCDQVWUPZHW-HUUCEWRRSA-N 2 0 345.281 1.773 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662459517 453168717 /nfs/dbraw/zinc/16/87/17/453168717.db2.gz IKYJTQXQTYRLQI-UHFFFAOYSA-N 2 0 338.371 1.975 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCOCC1 ZINC000662461090 453170978 /nfs/dbraw/zinc/17/09/78/453170978.db2.gz ZHQCOYJSPCVXIX-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000666831396 453175776 /nfs/dbraw/zinc/17/57/76/453175776.db2.gz CIQQQUKVIBPONC-BBRMVZONSA-N 2 0 336.436 1.207 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448912 453190032 /nfs/dbraw/zinc/19/00/32/453190032.db2.gz PQFQMFHOZCIFLM-SJLPKXTDSA-N 2 0 329.448 1.683 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662494093 453211585 /nfs/dbraw/zinc/21/15/85/453211585.db2.gz WBYXICQDHNBCKU-LPHOPBHVSA-N 2 0 344.503 1.611 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666912847 453236168 /nfs/dbraw/zinc/23/61/68/453236168.db2.gz JBHZBSONGZQCHE-INIZCTEOSA-N 2 0 346.475 1.568 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)c1 ZINC000662525367 453245368 /nfs/dbraw/zinc/24/53/68/453245368.db2.gz HQCDSGKQOUIIPV-HNNXBMFYSA-N 2 0 327.432 1.478 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653108653 453291287 /nfs/dbraw/zinc/29/12/87/453291287.db2.gz CSNRMHKHGPZMGY-APWZRJJASA-N 2 0 346.519 1.814 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)COCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296453 453294631 /nfs/dbraw/zinc/29/46/31/453294631.db2.gz NSUNMSGIRWMJNQ-WMZOPIPTSA-N 2 0 333.432 1.065 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000653113388 453300210 /nfs/dbraw/zinc/30/02/10/453300210.db2.gz AUBARHFNBPUEOO-ZBFHGGJFSA-N 2 0 338.521 1.355 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662581851 453308776 /nfs/dbraw/zinc/30/87/76/453308776.db2.gz WKUDYNILEKZQAE-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662582288 453310110 /nfs/dbraw/zinc/31/01/10/453310110.db2.gz MZRXXATWKKLDBT-MWDXBVQZSA-N 2 0 325.497 1.742 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653151709 453339883 /nfs/dbraw/zinc/33/98/83/453339883.db2.gz POHGKWZVPJONDH-SJLPKXTDSA-N 2 0 332.492 1.388 20 0 EDADRP CC[N@H+](CCCNC(=O)NC[C@]1(O)CC[NH+](C)C1)C1CCCCC1 ZINC000651219652 453372329 /nfs/dbraw/zinc/37/23/29/453372329.db2.gz DAVSEHSYYKZTCM-GOSISDBHSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653183753 453373584 /nfs/dbraw/zinc/37/35/84/453373584.db2.gz JJQFNTIFJQBDFF-CAOSSQGBSA-N 2 0 325.497 1.756 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N(C)CC2C[NH+](C)C2)[NH+]2CCCC2)o1 ZINC000660529747 453376730 /nfs/dbraw/zinc/37/67/30/453376730.db2.gz CXULENTZIWFWDA-MRXNPFEDSA-N 2 0 334.464 1.928 20 0 EDADRP Cn1nnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000651256281 453402460 /nfs/dbraw/zinc/40/24/60/453402460.db2.gz DLMCQVVOZIPVSI-KZNAEPCWSA-N 2 0 340.475 1.785 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662682537 453402520 /nfs/dbraw/zinc/40/25/20/453402520.db2.gz JFHCWKWFDGZZBR-INIZCTEOSA-N 2 0 342.447 1.907 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000646469678 453415859 /nfs/dbraw/zinc/41/58/59/453415859.db2.gz LIVMUSRDMFUXSX-OIJIEPSESA-N 2 0 335.492 1.652 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662694721 453417001 /nfs/dbraw/zinc/41/70/01/453417001.db2.gz BNEPWRALLMINIY-QGZVFWFLSA-N 2 0 342.487 1.600 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NCc2nccn2CC(F)(F)F)C1 ZINC000660590056 453430247 /nfs/dbraw/zinc/43/02/47/453430247.db2.gz MPBBYFNNHQGOCW-NSHDSACASA-N 2 0 333.358 1.729 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662710566 453433996 /nfs/dbraw/zinc/43/39/96/453433996.db2.gz HKXPSRGMGVLSHH-OAGGEKHMSA-N 2 0 348.495 1.585 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662715372 453440080 /nfs/dbraw/zinc/44/00/80/453440080.db2.gz NGVNRJCRYHWPJJ-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787229 453448089 /nfs/dbraw/zinc/44/80/89/453448089.db2.gz HNXNAPKZMYSBHR-XOYOTBSWSA-N 2 0 341.455 1.492 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1ccc2c(c1)C[NH2+]CC2)N1CC[NH2+]CC1 ZINC000656784471 453448173 /nfs/dbraw/zinc/44/81/73/453448173.db2.gz BEQGWVVLBAAFLO-INIZCTEOSA-N 3 0 342.409 1.258 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1)[C@@H](C)[NH3+] ZINC000662741033 453467888 /nfs/dbraw/zinc/46/78/88/453467888.db2.gz CECZXQXEYDUCML-QRQLOZEOSA-N 2 0 346.519 1.538 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)C3([NH3+])CC4(CCC4)C3)cn2)CC1 ZINC000662756461 453493838 /nfs/dbraw/zinc/49/38/38/453493838.db2.gz HWXPEGCHOHBTDX-UHFFFAOYSA-N 2 0 343.475 1.111 20 0 EDADRP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC2(CCC2)C1 ZINC000662758741 453495776 /nfs/dbraw/zinc/49/57/76/453495776.db2.gz SMJYUPJKMAMQBS-UHFFFAOYSA-N 2 0 328.460 1.824 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000660702266 453526498 /nfs/dbraw/zinc/52/64/98/453526498.db2.gz WZXSCXVBNFKBEQ-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655449898 453536769 /nfs/dbraw/zinc/53/67/69/453536769.db2.gz UPEFYVCWTFCFLM-KSSFIOAISA-N 2 0 329.448 1.162 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000662801778 453537754 /nfs/dbraw/zinc/53/77/54/453537754.db2.gz LCLHFAPJMPXFHR-ZWKOTPCHSA-N 2 0 345.487 1.782 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cn([C@H]4CCC[NH2+]CC4)nn3)CC[C@H]21 ZINC000662804716 453540446 /nfs/dbraw/zinc/54/04/46/453540446.db2.gz RYFYEVPNCITLOU-HLLBOEOZSA-N 2 0 346.479 1.149 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000667330480 453563818 /nfs/dbraw/zinc/56/38/18/453563818.db2.gz FPAMJLQIBGUOPQ-GOSISDBHSA-N 2 0 348.491 1.481 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662857467 453572812 /nfs/dbraw/zinc/57/28/12/453572812.db2.gz BJSBADSOSWQRIZ-KURKYZTESA-N 2 0 331.460 1.258 20 0 EDADRP C[C@@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]C1 ZINC000662859906 453575736 /nfs/dbraw/zinc/57/57/36/453575736.db2.gz UZSFHJISQIRDDE-LJQANCHMSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000660822793 453587576 /nfs/dbraw/zinc/58/75/76/453587576.db2.gz AFMAGBXFVFHYBW-DOTOQJQBSA-N 2 0 342.553 1.843 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@@H]4C[NH2+]CCO4)cc3)C[C@@H]21 ZINC000659040330 453594916 /nfs/dbraw/zinc/59/49/16/453594916.db2.gz FJUDSIXHJSKFFB-PVAVHDDUSA-N 2 0 330.432 1.515 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCO[C@H]3CC3(F)F)CC2)CC1 ZINC000660835307 453596963 /nfs/dbraw/zinc/59/69/63/453596963.db2.gz UITWFXYISQSRPH-INIZCTEOSA-N 2 0 331.451 1.903 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000660863646 453620484 /nfs/dbraw/zinc/62/04/84/453620484.db2.gz YUIANZPOZXONOV-SLFFLAALSA-N 2 0 331.504 1.894 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662972102 453630962 /nfs/dbraw/zinc/63/09/62/453630962.db2.gz OAHQUOFMHHBFQR-GOSISDBHSA-N 2 0 345.491 1.659 20 0 EDADRP C[C@@H]1[C@H](CO)CCC[NH+]1CC1(C[N@H+]2CCC[C@H](CO)[C@H]2C)COC1 ZINC000665270642 453630978 /nfs/dbraw/zinc/63/09/78/453630978.db2.gz KFXWIGRVZCYXMA-TVFCKZIOSA-N 2 0 340.508 1.189 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CCO1 ZINC000662972786 453630989 /nfs/dbraw/zinc/63/09/89/453630989.db2.gz MDEUZQFAEGZFAY-WMZOPIPTSA-N 2 0 331.460 1.443 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291149 453638425 /nfs/dbraw/zinc/63/84/25/453638425.db2.gz VLEJNDCCRLHVSH-XJKSGUPXSA-N 2 0 333.480 1.774 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000665354805 453662990 /nfs/dbraw/zinc/66/29/90/453662990.db2.gz ATICMUSNCGHOHK-HZPDHXFCSA-N 2 0 338.496 1.100 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000659349690 453724842 /nfs/dbraw/zinc/72/48/42/453724842.db2.gz MQWBYEWWVCBRTQ-CSHUHZATSA-N 2 0 349.425 1.916 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2CCCO)C1 ZINC000665553170 453744710 /nfs/dbraw/zinc/74/47/10/453744710.db2.gz PKTKTBZBCGLZNI-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657307187 453762534 /nfs/dbraw/zinc/76/25/34/453762534.db2.gz CCSQAKMUOUGYIR-HXUWFJFHSA-N 2 0 347.503 1.972 20 0 EDADRP OCCn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657324707 453765747 /nfs/dbraw/zinc/76/57/47/453765747.db2.gz BLAOHAJBHURIFR-KRWDZBQOSA-N 2 0 338.415 1.623 20 0 EDADRP CCN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663443320 453800278 /nfs/dbraw/zinc/80/02/78/453800278.db2.gz DBXANGFLFGJFPA-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP Cc1ncsc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663513640 453813322 /nfs/dbraw/zinc/81/33/22/453813322.db2.gz SUFBDAKYJWLXHP-AWEZNQCLSA-N 2 0 346.504 1.964 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000672753965 486790587 /nfs/dbraw/zinc/79/05/87/486790587.db2.gz DBFKUSJTFCGKGS-WBVHZDCISA-N 2 0 334.464 1.691 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417534944 486800123 /nfs/dbraw/zinc/80/01/23/486800123.db2.gz AYPDANCVLGFSHD-KBPBESRZSA-N 2 0 326.485 1.445 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)CC[C@@H]1[NH3+] ZINC000667544688 486836574 /nfs/dbraw/zinc/83/65/74/486836574.db2.gz DQSGGXIHSQHVHR-HOCLYGCPSA-N 2 0 346.475 1.315 20 0 EDADRP COC[C@H](C)Oc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000657353124 486876512 /nfs/dbraw/zinc/87/65/12/486876512.db2.gz FGKDWLUSANFTND-SJORKVTESA-N 2 0 335.492 1.826 20 0 EDADRP C[NH+]1CC=C(CNc2nccnc2NCC2=CC[N@H+](C)CC2)CC1 ZINC000680960665 486907770 /nfs/dbraw/zinc/90/77/70/486907770.db2.gz FKDNIFHSONBBPO-UHFFFAOYSA-N 2 0 328.464 1.824 20 0 EDADRP C[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000684170620 486965886 /nfs/dbraw/zinc/96/58/86/486965886.db2.gz CSOUDJIFSFGWGY-UHFFFAOYSA-N 2 0 342.487 1.363 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000684174857 486969074 /nfs/dbraw/zinc/96/90/74/486969074.db2.gz MVCRDLVEUGENCD-IBGZPJMESA-N 2 0 349.475 1.156 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC1)C2 ZINC000677360743 487056311 /nfs/dbraw/zinc/05/63/11/487056311.db2.gz PBQKZBUTYSCNKN-WFFDWFOESA-N 2 0 334.508 1.240 20 0 EDADRP Cc1cc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ncn1 ZINC000677480173 487097411 /nfs/dbraw/zinc/09/74/11/487097411.db2.gz HZBJFFYUBZVFGT-UHFFFAOYSA-N 2 0 336.484 1.200 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1CC(OCc2ccccc2)C1 ZINC000673798030 487116240 /nfs/dbraw/zinc/11/62/40/487116240.db2.gz PFDTXRVPGBZZDE-UHFFFAOYSA-N 2 0 347.503 1.934 20 0 EDADRP Cc1cn2ccc(NC(=O)N3CCN(C[C@H](C)O)C[C@@H]3C)cc2n1 ZINC000668162124 487124253 /nfs/dbraw/zinc/12/42/53/487124253.db2.gz PEZCCHPOBOTUEW-KBPBESRZSA-N 2 0 331.420 1.562 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000673868488 487140453 /nfs/dbraw/zinc/14/04/53/487140453.db2.gz ARCATKWHQYEVQU-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP O=S1(=O)CC[C@@H](CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)C1 ZINC000677681118 487148393 /nfs/dbraw/zinc/14/83/93/487148393.db2.gz FGETUSJOLASOIG-QGZVFWFLSA-N 2 0 344.521 1.246 20 0 EDADRP CN(C)c1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000678218493 487267888 /nfs/dbraw/zinc/26/78/88/487267888.db2.gz UBFOMOOKWHFWEN-UHFFFAOYSA-N 2 0 333.480 1.037 20 0 EDADRP NC(=O)N[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678341846 487291812 /nfs/dbraw/zinc/29/18/12/487291812.db2.gz GZRNIXHGXHZXNN-MRXNPFEDSA-N 2 0 332.448 1.404 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000675651753 487432420 /nfs/dbraw/zinc/43/24/20/487432420.db2.gz SYSVUKSLGKMCHN-OLZOCXBDSA-N 2 0 330.423 1.642 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCN(C)S(C)(=O)=O)CC1 ZINC000675746694 487441081 /nfs/dbraw/zinc/44/10/81/487441081.db2.gz MQQFSBURIVHISQ-DOTOQJQBSA-N 2 0 345.553 1.901 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000675794646 487444428 /nfs/dbraw/zinc/44/44/28/487444428.db2.gz FBQWZSNZKUIJNJ-SFHVURJKSA-N 3 0 345.535 1.914 20 0 EDADRP COC[C@]1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCC[NH2+]1 ZINC000669518432 485483543 /nfs/dbraw/zinc/48/35/43/485483543.db2.gz CGTXJALMQFZGKM-GOSISDBHSA-N 2 0 331.460 1.193 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000669518721 485483759 /nfs/dbraw/zinc/48/37/59/485483759.db2.gz XVHHWRGLAKUJSC-UHFFFAOYSA-N 2 0 346.475 1.195 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669573788 485605670 /nfs/dbraw/zinc/60/56/70/485605670.db2.gz YINQGPPANHOHOM-FHWLQOOXSA-N 2 0 342.487 1.902 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3cccn3C3CC[NH2+]CC3)CC[C@H]21 ZINC000325195522 485664368 /nfs/dbraw/zinc/66/43/68/485664368.db2.gz DSIHGYJSBFFLAK-DOTOQJQBSA-N 2 0 330.476 1.969 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000669128549 485712281 /nfs/dbraw/zinc/71/22/81/485712281.db2.gz APHHTKWVTHAKOI-CRAIPNDOSA-N 2 0 348.491 1.784 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000345370590 485973814 /nfs/dbraw/zinc/97/38/14/485973814.db2.gz GCKNSJFIQXQGGV-JQHSSLGASA-N 2 0 337.508 1.534 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668649543 485994463 /nfs/dbraw/zinc/99/44/63/485994463.db2.gz QLXFKIDMPOOMMV-FGTMMUONSA-N 2 0 330.476 1.553 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000668661119 486009616 /nfs/dbraw/zinc/00/96/16/486009616.db2.gz KJPIFSHIQKDEGH-CGTJXYLNSA-N 2 0 348.491 1.827 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000669389585 486025721 /nfs/dbraw/zinc/02/57/21/486025721.db2.gz ZDGGSLOMGPIAGJ-GJZGRUSLSA-N 2 0 340.537 1.917 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[C@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000668677996 486032864 /nfs/dbraw/zinc/03/28/64/486032864.db2.gz ASUKPWKDJMOAMJ-QAPCUYQASA-N 2 0 346.475 1.822 20 0 EDADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)NCC1C[NH2+]C1 ZINC000668678530 486033132 /nfs/dbraw/zinc/03/31/32/486033132.db2.gz ZRFOVXXYBWLBLK-INIZCTEOSA-N 2 0 336.867 1.996 20 0 EDADRP CON1CCC(CC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000668689458 486051400 /nfs/dbraw/zinc/05/14/00/486051400.db2.gz RXHMRWCPEVVEBU-UHFFFAOYSA-N 2 0 340.512 1.134 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000669474137 486227916 /nfs/dbraw/zinc/22/79/16/486227916.db2.gz CRILREUXVAPCTG-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC/C=C/C[NH3+])c1cccc(OC)c1 ZINC000668899938 486321579 /nfs/dbraw/zinc/32/15/79/486321579.db2.gz QXQCUFZUMHRTAD-DKRLNXSXSA-N 2 0 334.464 1.892 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)ccn1 ZINC000136992300 491232293 /nfs/dbraw/zinc/23/22/93/491232293.db2.gz AUWPPSTXDAUBEC-MRXNPFEDSA-N 2 0 332.448 1.236 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000078750124 491002451 /nfs/dbraw/zinc/00/24/51/491002451.db2.gz UVIXSCFXUMFIKB-WMLDXEAASA-N 2 0 346.475 1.741 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000127607160 491016714 /nfs/dbraw/zinc/01/67/14/491016714.db2.gz JBVFJURHNPATQT-HUUCEWRRSA-N 2 0 329.448 1.538 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000382650448 491020062 /nfs/dbraw/zinc/02/00/62/491020062.db2.gz UPLNIKKUIHARIE-IBGZPJMESA-N 2 0 349.519 1.522 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000669007182 491183903 /nfs/dbraw/zinc/18/39/03/491183903.db2.gz AZLXKPXRIUIRHM-JONQDZQNSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262638095 536448698 /nfs/dbraw/zinc/44/86/98/536448698.db2.gz ITJAHAIKSQDWQH-HIFRSBDPSA-N 2 0 332.448 1.178 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000153489593 528243399 /nfs/dbraw/zinc/24/33/99/528243399.db2.gz XLPXDHURGWGQDJ-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H]1CC ZINC000168075437 528746553 /nfs/dbraw/zinc/74/65/53/528746553.db2.gz TYOPFDMNRAUZGD-ZWKOTPCHSA-N 2 0 333.476 1.516 20 0 EDADRP CC(C)(CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCCCC1 ZINC000262760557 535144275 /nfs/dbraw/zinc/14/42/75/535144275.db2.gz LKDCFMGFKXRGPH-HNNXBMFYSA-N 2 0 333.480 1.802 20 0 EDADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346650361 535157237 /nfs/dbraw/zinc/15/72/37/535157237.db2.gz CATLMNKZQKJATN-HOCLYGCPSA-N 2 0 347.507 1.787 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)CC1 ZINC000352567826 535265688 /nfs/dbraw/zinc/26/56/88/535265688.db2.gz PUKAGGXWZQUVHJ-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CCn1nccc1/C=C/C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000269931571 535593480 /nfs/dbraw/zinc/59/34/80/535593480.db2.gz AXDCVLIUYHKLMW-BBVFFXRHSA-N 2 0 347.507 1.791 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262655776 535690899 /nfs/dbraw/zinc/69/08/99/535690899.db2.gz UJUDSFBFKLGULG-MJGOQNOKSA-N 2 0 346.519 1.856 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339753992 535714794 /nfs/dbraw/zinc/71/47/94/535714794.db2.gz MFZXZJWYFUZXPD-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262375932 535753816 /nfs/dbraw/zinc/75/38/16/535753816.db2.gz MIGWMAOAWUGHAA-OAHLLOKOSA-N 2 0 332.448 1.146 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH2+]CCOC ZINC000262627456 535771167 /nfs/dbraw/zinc/77/11/67/535771167.db2.gz CEUMRHDOHUVSCJ-GOSISDBHSA-N 2 0 333.476 1.593 20 0 EDADRP CC[C@H](C)[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000271081715 535991807 /nfs/dbraw/zinc/99/18/07/535991807.db2.gz RCYXMXSULFJHTD-RDJZCZTQSA-N 2 0 334.464 1.117 20 0 EDADRP C[NH2+][C@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261683542 536411718 /nfs/dbraw/zinc/41/17/18/536411718.db2.gz DIFLTXLJGCAPBD-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000262862916 536574253 /nfs/dbraw/zinc/57/42/53/536574253.db2.gz LMLQRQLSNZMLJV-HNNXBMFYSA-N 2 0 337.489 1.846 20 0 EDADRP CO[C@H]1CCC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000340286329 536714311 /nfs/dbraw/zinc/71/43/11/536714311.db2.gz SZIYZWDRRXBFJS-SJORKVTESA-N 2 0 327.513 1.924 20 0 EDADRP COc1cc(C[NH2+]CCOCC[NH+](C)C)cc(Br)c1O ZINC000231676579 536797194 /nfs/dbraw/zinc/79/71/94/536797194.db2.gz ZOCGJNZOUYTMPP-UHFFFAOYSA-N 2 0 347.253 1.831 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[NH2+]C[C@@H]2C)cc1 ZINC000333690227 536892774 /nfs/dbraw/zinc/89/27/74/536892774.db2.gz PRFMRNGKMDSSOR-JQFCIGGWSA-N 2 0 332.448 1.144 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000237372233 537115216 /nfs/dbraw/zinc/11/52/16/537115216.db2.gz LOBULDCGZYNEGY-HZPDHXFCSA-N 2 0 346.475 1.765 20 0 EDADRP C[NH+]1CCC(CNC(=S)N2CC[C@@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000760499168 580032229 /nfs/dbraw/zinc/03/22/29/580032229.db2.gz KQXASQCQEUOJGD-QGZVFWFLSA-N 2 0 338.565 1.866 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734264991 578805438 /nfs/dbraw/zinc/80/54/38/578805438.db2.gz OKXAFHBEMNOZCQ-QGZVFWFLSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C3(C)OCCO3)CC2)CC1 ZINC000760892697 580040739 /nfs/dbraw/zinc/04/07/39/580040739.db2.gz DDWIABZAUTUMDK-UHFFFAOYSA-N 2 0 339.480 1.062 20 0 EDADRP C[NH+]1CCC(NC(=S)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000735982717 578943881 /nfs/dbraw/zinc/94/38/81/578943881.db2.gz LPLIQLVSJKSTQC-AWEZNQCLSA-N 2 0 340.537 1.046 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000761550477 580059094 /nfs/dbraw/zinc/05/90/94/580059094.db2.gz OFVRNWYSHKBPRM-HZPDHXFCSA-N 2 0 342.553 1.436 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)CCCC[NH+]1CCCC1 ZINC000747143938 579630605 /nfs/dbraw/zinc/63/06/05/579630605.db2.gz CMGLBHPQUYQJNL-KZNAEPCWSA-N 2 0 337.508 1.963 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000752100052 579838383 /nfs/dbraw/zinc/83/83/83/579838383.db2.gz GIPYWGIRKOHPMH-GOSISDBHSA-N 2 0 337.508 1.966 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000768478333 580214436 /nfs/dbraw/zinc/21/44/36/580214436.db2.gz BSUAJFKFYVJKDX-CABCVRRESA-N 2 0 326.554 1.865 20 0 EDADRP C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771801357 580294479 /nfs/dbraw/zinc/29/44/79/580294479.db2.gz RWGCNBIOFZUCMR-IPELMVKDSA-N 2 0 345.487 1.516 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775393119 580390031 /nfs/dbraw/zinc/39/00/31/580390031.db2.gz DJMZGUJPXWAUFQ-PMPSAXMXSA-N 2 0 329.579 1.982 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccccc1CO ZINC000779764512 580496571 /nfs/dbraw/zinc/49/65/71/580496571.db2.gz QFRNMRSMQYSEEI-LJQANCHMSA-N 2 0 347.503 1.596 20 0 EDADRP O=C1O[C@]2(CN1CN1CCC[C@H](OC(F)F)C1)C[NH+]1CCC2CC1 ZINC000790375358 580767937 /nfs/dbraw/zinc/76/79/37/580767937.db2.gz TXLLVNBALQXQHQ-BBRMVZONSA-N 2 0 345.390 1.564 20 0 EDADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794295076 580885371 /nfs/dbraw/zinc/88/53/71/580885371.db2.gz ZTMLYDHPRZDLPZ-INIZCTEOSA-N 2 0 343.512 1.926 20 0 EDADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccc(F)cn1 ZINC000799303387 581024715 /nfs/dbraw/zinc/02/47/15/581024715.db2.gz GXPQZTIJSJPABK-GOSISDBHSA-N 2 0 337.439 1.831 20 0 EDADRP COCCCC1(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCC1 ZINC000891834776 590643254 /nfs/dbraw/zinc/64/32/54/590643254.db2.gz UTAKKWRXSMTFMB-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857711 590659691 /nfs/dbraw/zinc/65/96/91/590659691.db2.gz DQFLCFHUSMNGQS-UONOGXRCSA-N 2 0 348.438 1.031 20 0 EDADRP COCCCC1(C[NH+]2CCN(C(=O)C[NH+]3CCCC3)CC2)CCC1 ZINC000891926680 590690804 /nfs/dbraw/zinc/69/08/04/590690804.db2.gz NUGHSFPJZIFEIL-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957134 590707562 /nfs/dbraw/zinc/70/75/62/590707562.db2.gz UIYXBCVBJLNUQL-HZPDHXFCSA-N 2 0 338.496 1.176 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC2CC[NH2+]CC2)c1 ZINC000891976447 590719401 /nfs/dbraw/zinc/71/94/01/590719401.db2.gz NSWBTOBQSUHBCY-QGZVFWFLSA-N 2 0 332.448 1.351 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000892006665 590740333 /nfs/dbraw/zinc/74/03/33/590740333.db2.gz KRYBKQKEIAYRRT-JKSUJKDBSA-N 2 0 338.496 1.352 20 0 EDADRP C[C@@]12CN(C(=O)N[C@@H]3CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892017114 590748661 /nfs/dbraw/zinc/74/86/61/590748661.db2.gz RFFCVKKWAOJBHZ-NLWGTHIKSA-N 2 0 342.487 1.902 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC1CCC([NH3+])CC1 ZINC000892020939 590751743 /nfs/dbraw/zinc/75/17/43/590751743.db2.gz DHEZIVWYUXPXSR-UHFFFAOYSA-N 2 0 326.485 1.256 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000892031032 590759940 /nfs/dbraw/zinc/75/99/40/590759940.db2.gz QAGTVODKIYUULI-SFHVURJKSA-N 2 0 345.491 1.108 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000892037567 590764815 /nfs/dbraw/zinc/76/48/15/590764815.db2.gz GBGLNHUGHXUNGK-MRXNPFEDSA-N 2 0 328.501 1.360 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000892090573 590793964 /nfs/dbraw/zinc/79/39/64/590793964.db2.gz GJMOMEBSEKYRCV-ZWKOTPCHSA-N 2 0 346.475 1.869 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)nc1 ZINC000893354255 590799651 /nfs/dbraw/zinc/79/96/51/590799651.db2.gz ZHMHVTOILHGKSN-UHFFFAOYSA-N 2 0 342.443 1.671 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cn(Cc3ccccc3)nn2)CC1 ZINC000893360805 590803278 /nfs/dbraw/zinc/80/32/78/590803278.db2.gz QZDYPQCOXLKEGI-UHFFFAOYSA-N 2 0 342.491 1.442 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000892127658 590813162 /nfs/dbraw/zinc/81/31/62/590813162.db2.gz YBUXYQJYXWQBHT-IRXDYDNUSA-N 2 0 348.491 1.611 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000892148302 590822432 /nfs/dbraw/zinc/82/24/32/590822432.db2.gz XKAGFQOTIBIWED-IAGOWNOFSA-N 2 0 334.464 1.232 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000892212494 590866857 /nfs/dbraw/zinc/86/68/57/590866857.db2.gz QWMPTYKDISVACU-NLWGTHIKSA-N 2 0 344.503 1.752 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000892277387 590907502 /nfs/dbraw/zinc/90/75/02/590907502.db2.gz PCRWWQUWUSKIMT-UHFFFAOYSA-N 2 0 338.496 1.544 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)c(F)c3)C[C@H]2C1 ZINC000892309581 590933413 /nfs/dbraw/zinc/93/34/13/590933413.db2.gz DUYVIGHVITVYGN-GASCZTMLSA-N 2 0 343.406 1.714 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321997 590943913 /nfs/dbraw/zinc/94/39/13/590943913.db2.gz GXVZHMWCOKXVDO-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892324118 590945334 /nfs/dbraw/zinc/94/53/34/590945334.db2.gz HNIAQDPICBXCSR-CQSZACIVSA-N 2 0 338.402 1.376 20 0 EDADRP C[NH+]1CCC(CNc2cccc(C[N@@H+]3CCC[C@H]3C(N)=O)c2)CC1 ZINC000892339749 590967858 /nfs/dbraw/zinc/96/78/58/590967858.db2.gz JUZOZORFARFGJO-SFHVURJKSA-N 2 0 330.476 1.890 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)[NH2+]C1 ZINC000892383956 591004165 /nfs/dbraw/zinc/00/41/65/591004165.db2.gz IMBTXXCNQRCOAQ-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP [NH3+][C@H](CCNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000892399339 591011031 /nfs/dbraw/zinc/01/10/31/591011031.db2.gz DEWSYHHIDXWRBX-MRXNPFEDSA-N 2 0 327.432 1.175 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)Cc1ccccc1 ZINC000892407752 591015294 /nfs/dbraw/zinc/01/52/94/591015294.db2.gz DQYPYVQCVHSTME-QZTJIDSGSA-N 2 0 348.491 1.093 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000892407913 591015373 /nfs/dbraw/zinc/01/53/73/591015373.db2.gz JAIQXVOLNGAYLF-MSOLQXFVSA-N 2 0 348.491 1.093 20 0 EDADRP CN(C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892412121 591017209 /nfs/dbraw/zinc/01/72/09/591017209.db2.gz PVQWAFQWBYHMST-XNHLSEOASA-N 2 0 330.476 1.871 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891349473 591054373 /nfs/dbraw/zinc/05/43/73/591054373.db2.gz IJZDFFAADRFYDP-FRRDWIJNSA-N 2 0 336.402 1.639 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000891385476 591065979 /nfs/dbraw/zinc/06/59/79/591065979.db2.gz OFNDWPCBMMUEAF-CVEARBPZSA-N 2 0 338.496 1.176 20 0 EDADRP C[NH+]1CCC(CN2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC000891458545 591078085 /nfs/dbraw/zinc/07/80/85/591078085.db2.gz AMELKQBIWQALBG-UHFFFAOYSA-N 2 0 337.489 1.335 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)c1 ZINC000891459908 591078130 /nfs/dbraw/zinc/07/81/30/591078130.db2.gz FUTRVQKQQQDIBI-PKOBYXMFSA-N 2 0 330.476 1.889 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CCCC1 ZINC000891517878 591102975 /nfs/dbraw/zinc/10/29/75/591102975.db2.gz MQIWADAQWXSISP-QGZVFWFLSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891518683 591104622 /nfs/dbraw/zinc/10/46/22/591104622.db2.gz TXDJJWXVSFJLHS-JKSUJKDBSA-N 2 0 336.480 1.167 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891537558 591112064 /nfs/dbraw/zinc/11/20/64/591112064.db2.gz KRBFIUURBPTUFV-QZTJIDSGSA-N 2 0 346.475 1.111 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891540182 591116694 /nfs/dbraw/zinc/11/66/94/591116694.db2.gz MEEGQRCWGFNOBZ-XQQFMLRXSA-N 2 0 336.402 1.639 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC000893854504 591117628 /nfs/dbraw/zinc/11/76/28/591117628.db2.gz APJZSBKXSFNLNT-SUMDDJOVSA-N 2 0 328.460 1.766 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000891575330 591134678 /nfs/dbraw/zinc/13/46/78/591134678.db2.gz LJHIKCLEUNAXRA-JKSUJKDBSA-N 2 0 338.496 1.400 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891580571 591136196 /nfs/dbraw/zinc/13/61/96/591136196.db2.gz XZXLBUWDWLHCNG-KBPBESRZSA-N 2 0 332.439 1.795 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000891659334 591172217 /nfs/dbraw/zinc/17/22/17/591172217.db2.gz DTBOQEXZGOEGAU-DJIMGWMZSA-N 2 0 330.476 1.871 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000891661535 591173493 /nfs/dbraw/zinc/17/34/93/591173493.db2.gz RSLLQBJSFPHFBB-IIAWOOMASA-N 2 0 336.480 1.070 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892781683 591173931 /nfs/dbraw/zinc/17/39/31/591173931.db2.gz ZSQNXXVVOKNEDU-CVEARBPZSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+](C2CC2)C1 ZINC000892794755 591182557 /nfs/dbraw/zinc/18/25/57/591182557.db2.gz RFXYUEMBTDPFAY-MAUKXSAKSA-N 2 0 342.487 1.827 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892804875 591186768 /nfs/dbraw/zinc/18/67/68/591186768.db2.gz KXGPLOVQWNPEPE-ZWKOTPCHSA-N 2 0 330.476 1.683 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000891694107 591187784 /nfs/dbraw/zinc/18/77/84/591187784.db2.gz IWNDQLIEDXTOTD-LSDHHAIUSA-N 2 0 326.485 1.181 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000891728150 591201141 /nfs/dbraw/zinc/20/11/41/591201141.db2.gz LCFFSKVIMWCLKW-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000891749170 591209524 /nfs/dbraw/zinc/20/95/24/591209524.db2.gz VILXUVWBUIJVMN-UHFFFAOYSA-N 2 0 341.544 1.242 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1cc(N)cc[nH+]1 ZINC000891751051 591210338 /nfs/dbraw/zinc/21/03/38/591210338.db2.gz UNGMEOSEXPFPTN-CQSZACIVSA-N 2 0 327.432 1.984 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891778716 591220996 /nfs/dbraw/zinc/22/09/96/591220996.db2.gz KBXXHIMMEJATCU-SFHVURJKSA-N 2 0 348.491 1.359 20 0 EDADRP C[NH+](C)C[C@@H]1CN([C@@H]2CCC3(C[C@@H]2F)OCCO3)C[C@H]1C[NH+](C)C ZINC000895700184 591253218 /nfs/dbraw/zinc/25/32/18/591253218.db2.gz SBCBTZUMBFPKSR-WCXIOVBPSA-N 2 0 343.487 1.291 20 0 EDADRP C[C@@H]1C[C@]2(CC[C@@H](C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)O2)CO1 ZINC000895819276 591280890 /nfs/dbraw/zinc/28/08/90/591280890.db2.gz WIGDBEZRLAQNEU-UWWQBHOKSA-N 2 0 326.481 1.538 20 0 EDADRP CCc1[nH]c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000894484972 591323619 /nfs/dbraw/zinc/32/36/19/591323619.db2.gz VOPKPNZZBOWMRL-AWEZNQCLSA-N 2 0 336.480 1.479 20 0 EDADRP CCO[C@@H](CNc1cc(N2CCC[C@@H](CO)C2)ncn1)C[NH+](C)C ZINC000896117962 591349629 /nfs/dbraw/zinc/34/96/29/591349629.db2.gz PZCRNYDXWYOUSV-CABCVRRESA-N 2 0 337.468 1.064 20 0 EDADRP C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000897419906 591379315 /nfs/dbraw/zinc/37/93/15/591379315.db2.gz IANGKASJQNNDAR-BEFAXECRSA-N 2 0 345.487 1.905 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896375388 591442493 /nfs/dbraw/zinc/44/24/93/591442493.db2.gz IJCRIGFGTLZWFU-MOPGFXCFSA-N 2 0 343.471 1.488 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000897488275 591492841 /nfs/dbraw/zinc/49/28/41/591492841.db2.gz ZIURPQJBHQJYIG-OAHLLOKOSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1nc2ccccc2n1CC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896554786 591519136 /nfs/dbraw/zinc/51/91/36/591519136.db2.gz HUVQKIUXVJDCMB-CXAGYDPISA-N 2 0 329.448 1.095 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)NC[C@]2([NH+](C)C)CCSC2)[nH]n1 ZINC000896835666 591626276 /nfs/dbraw/zinc/62/62/76/591626276.db2.gz ROXBLHPZSKDUPC-GDBMZVCRSA-N 2 0 337.493 1.344 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000897825194 591684020 /nfs/dbraw/zinc/68/40/20/591684020.db2.gz FWQLFYKDYRSOBP-JQHSSLGASA-N 2 0 331.460 1.897 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C[NH+](C)C ZINC000895417697 591749968 /nfs/dbraw/zinc/74/99/68/591749968.db2.gz FQIBMZNBOBVWQE-HUUCEWRRSA-N 2 0 331.464 1.440 20 0 EDADRP CN(c1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1)S(C)(=O)=O ZINC000898281422 591851518 /nfs/dbraw/zinc/85/15/18/591851518.db2.gz MIXXMHBHYMXIAK-UHFFFAOYSA-N 2 0 325.478 1.514 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900019330 591870566 /nfs/dbraw/zinc/87/05/66/591870566.db2.gz ZLNZIQOMKZIETL-QUCCMNQESA-N 2 0 345.487 1.744 20 0 EDADRP C[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140976 591915548 /nfs/dbraw/zinc/91/55/48/591915548.db2.gz LXHXPMHKGCUYPO-JXFKEZNVSA-N 2 0 345.487 1.396 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900192583 591936086 /nfs/dbraw/zinc/93/60/86/591936086.db2.gz PDDGVIBXEFYISW-BFYDXBDKSA-N 2 0 339.505 1.702 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000900240004 591952313 /nfs/dbraw/zinc/95/23/13/591952313.db2.gz IDRWYDJZRWTKST-QZTJIDSGSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cc2)NC(=O)NC1=O ZINC000902345362 591977267 /nfs/dbraw/zinc/97/72/67/591977267.db2.gz JVIQZECDOUOBPP-HNAYVOBHSA-N 2 0 344.459 1.609 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000902358920 591986260 /nfs/dbraw/zinc/98/62/60/591986260.db2.gz BAZAVBOIYWDXOF-OLZOCXBDSA-N 2 0 346.518 1.251 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCCSC1 ZINC000902404728 591991320 /nfs/dbraw/zinc/99/13/20/591991320.db2.gz CFPNHFOBJHYPJI-IRXDYDNUSA-N 2 0 335.517 1.761 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000900406556 592010013 /nfs/dbraw/zinc/01/00/13/592010013.db2.gz IYBHDQVVEDFYGR-NLWGTHIKSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000902903938 592082401 /nfs/dbraw/zinc/08/24/01/592082401.db2.gz HIHNSUISCAUMIK-BZUAXINKSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CCO)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903136642 592125844 /nfs/dbraw/zinc/12/58/44/592125844.db2.gz FIYGFNLMVVQMLN-CYBMUJFWSA-N 2 0 327.469 1.479 20 0 EDADRP C[C@H]([NH2+]C[C@@]1(CO)COCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000903277506 592150231 /nfs/dbraw/zinc/15/02/31/592150231.db2.gz ATVZXHOJSJNXDB-DFQSSKMNSA-N 2 0 347.503 1.180 20 0 EDADRP C[C@H](CCNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000900922987 592163964 /nfs/dbraw/zinc/16/39/64/592163964.db2.gz RBZQAAFFNMPOPI-HHXXYDBFSA-N 2 0 333.476 1.468 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN(S(=O)(=O)Cc3ccccc3)CC2)C1 ZINC000903427049 592167704 /nfs/dbraw/zinc/16/77/04/592167704.db2.gz RMZJJJBXTFCABH-DLBZAZTESA-N 2 0 337.489 1.261 20 0 EDADRP C[C@H]([NH2+]CCCn1ccc(=O)[nH]c1=O)c1cccc(C[NH+](C)C)c1 ZINC000903429971 592168179 /nfs/dbraw/zinc/16/81/79/592168179.db2.gz USFZFJNOJFDSHR-AWEZNQCLSA-N 2 0 330.432 1.751 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc3ncccc13)C2 ZINC000903494931 592186799 /nfs/dbraw/zinc/18/67/99/592186799.db2.gz RFTQWRDLQOWUNN-KHYOSLBOSA-N 2 0 325.412 1.947 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cccc(S(=O)(=O)N(C)C)c2)C[C@H]1CC[NH3+] ZINC000903494896 592186884 /nfs/dbraw/zinc/18/68/84/592186884.db2.gz PQHXBLWXSSPQNH-UKRRQHHQSA-N 2 0 325.478 1.354 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCCOC2CCCCC2)C[C@H]1CC[NH3+] ZINC000903497315 592188319 /nfs/dbraw/zinc/18/83/19/592188319.db2.gz VLPJHQZYUMHUIL-HZPDHXFCSA-N 2 0 325.497 1.759 20 0 EDADRP COc1cccc(OCC[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903525394 592197963 /nfs/dbraw/zinc/19/79/63/592197963.db2.gz HFRFCQXQHCTQRK-MJGOQNOKSA-N 2 0 347.459 1.310 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906647207 592231561 /nfs/dbraw/zinc/23/15/61/592231561.db2.gz POHXCCLFHHFNMZ-INIZCTEOSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906650697 592234787 /nfs/dbraw/zinc/23/47/87/592234787.db2.gz MBRLMXVYFFTOHP-DOMZBBRYSA-N 2 0 332.448 1.418 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904350368 592236978 /nfs/dbraw/zinc/23/69/78/592236978.db2.gz JSGWTQSOINGMHD-QGZVFWFLSA-N 2 0 331.460 1.831 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351488 592237123 /nfs/dbraw/zinc/23/71/23/592237123.db2.gz ZUZMLPKLKFIAJG-IAGOWNOFSA-N 3 0 332.492 1.901 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC3CCN(CC[NH3+])CC3)c(C)c2)CC1 ZINC000904358860 592238909 /nfs/dbraw/zinc/23/89/09/592238909.db2.gz UBBSEWQEVSLIDM-UHFFFAOYSA-N 2 0 345.535 1.972 20 0 EDADRP COc1cc(Br)c(CN2CC[NH2+]CC[NH2+]CC2)cc1O ZINC000904397083 592243937 /nfs/dbraw/zinc/24/39/37/592243937.db2.gz YARBLPWJQONTNC-UHFFFAOYSA-N 2 0 344.253 1.158 20 0 EDADRP [NH3+]CC[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000904404999 592250181 /nfs/dbraw/zinc/25/01/81/592250181.db2.gz GLQBKKUGQKZRPR-INIZCTEOSA-N 2 0 331.460 1.859 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000906675415 592256510 /nfs/dbraw/zinc/25/65/10/592256510.db2.gz WYBPZWNTXVQPSZ-GOSISDBHSA-N 2 0 338.540 1.642 20 0 EDADRP CN1Cc2ccccc2[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679194 592260275 /nfs/dbraw/zinc/26/02/75/592260275.db2.gz DVLROBVWUADKDC-KRWDZBQOSA-N 2 0 338.411 1.387 20 0 EDADRP O=C(NCc1nc(CN2CCCCC2)no1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908009082 592260484 /nfs/dbraw/zinc/26/04/84/592260484.db2.gz CZWCZNPTTRTNEX-LSDHHAIUSA-N 2 0 347.463 1.689 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000908020088 592268192 /nfs/dbraw/zinc/26/81/92/592268192.db2.gz GRRMZVKLJHJVNI-RCCFBDPRSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC000906661231 592269712 /nfs/dbraw/zinc/26/97/12/592269712.db2.gz QFIYTYNYDRJWJP-INIZCTEOSA-N 2 0 336.524 1.536 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000904509387 592273560 /nfs/dbraw/zinc/27/35/60/592273560.db2.gz JEDAEKFYTXGUPP-ROUUACIJSA-N 2 0 346.475 1.859 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000901170326 592275122 /nfs/dbraw/zinc/27/51/22/592275122.db2.gz AFKQLAIFHFBUTR-LSBZLQRGSA-N 2 0 346.475 1.178 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000906705637 592277435 /nfs/dbraw/zinc/27/74/35/592277435.db2.gz IBXGMUYSMWXVIO-UVBSCNOISA-N 2 0 330.432 1.055 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000906705639 592277842 /nfs/dbraw/zinc/27/78/42/592277842.db2.gz IBXGMUYSMWXVIO-XAYKYTGQSA-N 2 0 330.432 1.055 20 0 EDADRP CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728558 592286315 /nfs/dbraw/zinc/28/63/15/592286315.db2.gz CCDZOOWXAZLPAL-DOTOQJQBSA-N 2 0 339.386 1.604 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000904599430 592292681 /nfs/dbraw/zinc/29/26/81/592292681.db2.gz ZFMDJDYQBVOSFH-INIZCTEOSA-N 2 0 334.464 1.849 20 0 EDADRP Fc1cccc([C@H]2C[NH2+]CCN2C[C@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747754 592294161 /nfs/dbraw/zinc/29/41/61/592294161.db2.gz WOIACJRKKFHPSR-QZTJIDSGSA-N 2 0 333.451 1.931 20 0 EDADRP O=S(=O)(CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1 ZINC000903749669 592294169 /nfs/dbraw/zinc/29/41/69/592294169.db2.gz ODWGCAGZKFUOOX-HZPDHXFCSA-N 2 0 337.489 1.750 20 0 EDADRP c1cc2c(cc1-c1nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no1)OCC[NH2+]C2 ZINC000904638658 592300345 /nfs/dbraw/zinc/30/03/45/592300345.db2.gz QOAZWQAVZNBVKW-GOEBONIOSA-N 2 0 342.399 1.754 20 0 EDADRP c1csc(N2CCC[N@@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903738118 592300626 /nfs/dbraw/zinc/30/06/26/592300626.db2.gz XXQUAICTFDQLNZ-HNNXBMFYSA-N 2 0 336.505 1.814 20 0 EDADRP Fc1cncc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903759122 592306923 /nfs/dbraw/zinc/30/69/23/592306923.db2.gz PBSWWVNLDMGOQU-KRWDZBQOSA-N 2 0 334.439 1.501 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)C1 ZINC000903763232 592307901 /nfs/dbraw/zinc/30/79/01/592307901.db2.gz IXAUQAGYAHOXSV-MLHJIOFPSA-N 3 0 337.508 1.363 20 0 EDADRP Cn1ccnc1CN1CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904658808 592307878 /nfs/dbraw/zinc/30/78/78/592307878.db2.gz IVVXZUZIIWWHNL-UHFFFAOYSA-N 2 0 328.420 1.229 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(CC(C)(C)C[NH3+])n3)cn2)CC1 ZINC000904672007 592309137 /nfs/dbraw/zinc/30/91/37/592309137.db2.gz JNZLAXLWPNVSSR-UHFFFAOYSA-N 2 0 344.463 1.801 20 0 EDADRP CC[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)F ZINC000903756841 592314087 /nfs/dbraw/zinc/31/40/87/592314087.db2.gz WMPQMTMEBAHYGA-HUUCEWRRSA-N 2 0 331.451 1.806 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903757052 592314630 /nfs/dbraw/zinc/31/46/30/592314630.db2.gz BBIQQFQIJBPBHT-OVWQWFNUSA-N 2 0 339.480 1.602 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH+]3CCC(C(C)(C)C[NH3+])CC3)C2=O)n1 ZINC000903790523 592315501 /nfs/dbraw/zinc/31/55/01/592315501.db2.gz MMRVSQKBPNXCCH-HNNXBMFYSA-N 2 0 333.480 1.612 20 0 EDADRP COCCCNC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794481 592317437 /nfs/dbraw/zinc/31/74/37/592317437.db2.gz WTMXZGBOGOTGTE-MRXNPFEDSA-N 2 0 333.476 1.520 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906757794 592317771 /nfs/dbraw/zinc/31/77/71/592317771.db2.gz QKZQINIWSCULSL-UHFFFAOYSA-N 2 0 348.491 1.865 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908115133 592328068 /nfs/dbraw/zinc/32/80/68/592328068.db2.gz MMPGPKMQOONUTD-VSZNYVQBSA-N 2 0 335.492 1.715 20 0 EDADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H](O)COC2CCOCC2)CCC1 ZINC000903812616 592330917 /nfs/dbraw/zinc/33/09/17/592330917.db2.gz UTTFOMWGXBHPMJ-RDJZCZTQSA-N 2 0 326.481 1.526 20 0 EDADRP COc1ccc(C[N@H+](CCCO)C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831353 592336936 /nfs/dbraw/zinc/33/69/36/592336936.db2.gz IRTAQTCNWYXJCC-MOPGFXCFSA-N 2 0 334.460 1.648 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cnn1C ZINC000903891094 592352278 /nfs/dbraw/zinc/35/22/78/592352278.db2.gz JNZIGQRIRQPLAJ-PKOBYXMFSA-N 2 0 349.523 1.033 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc3c(c2)OCCO3)cnn1C ZINC000903877650 592358231 /nfs/dbraw/zinc/35/82/31/592358231.db2.gz ONWCVMFGZQEORX-INIZCTEOSA-N 2 0 344.459 1.749 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2cccc(C(N)=O)c2)cnn1C ZINC000903886517 592363756 /nfs/dbraw/zinc/36/37/56/592363756.db2.gz QAQXIICTHYJFPK-HNNXBMFYSA-N 2 0 329.448 1.077 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903887062 592365077 /nfs/dbraw/zinc/36/50/77/592365077.db2.gz YILNZZDVYFHVRA-INIZCTEOSA-N 2 0 344.459 1.765 20 0 EDADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H]1N1CCOCC1 ZINC000903915082 592365563 /nfs/dbraw/zinc/36/55/63/592365563.db2.gz XYZFDGWNXSMXLF-UZLBHIALSA-N 2 0 329.488 1.875 20 0 EDADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)C[C@]1(O)CCOC1 ZINC000905037124 592374682 /nfs/dbraw/zinc/37/46/82/592374682.db2.gz VYKPKLNFNCDTKN-RBUKOAKNSA-N 2 0 334.460 1.274 20 0 EDADRP O=C(c1ccc(NC2=[NH+]CCC2)cc1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000908199542 592377298 /nfs/dbraw/zinc/37/72/98/592377298.db2.gz GIIFNJYKGSPXSC-SJORKVTESA-N 2 0 342.443 1.572 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@@H]2CCN(c3ccccn3)C2)cnn1C ZINC000903922981 592378645 /nfs/dbraw/zinc/37/86/45/592378645.db2.gz ISGZMKQBLNQISQ-NVXWUHKLSA-N 2 0 328.464 1.109 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@@H](C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903928421 592382696 /nfs/dbraw/zinc/38/26/96/592382696.db2.gz YPYJLJJVXPRFHT-UYTSQGDYSA-N 2 0 339.480 1.743 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCS[C@@H](C(F)(F)F)C2)C1 ZINC000903986175 592404895 /nfs/dbraw/zinc/40/48/95/592404895.db2.gz HHESIJOHLDYHOF-GHMZBOCLSA-N 2 0 325.400 1.163 20 0 EDADRP OCC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000905176007 592455482 /nfs/dbraw/zinc/45/54/82/592455482.db2.gz PLFCHYBARRBDLH-RCCFBDPRSA-N 2 0 340.508 1.258 20 0 EDADRP C[C@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000908357250 592476651 /nfs/dbraw/zinc/47/66/51/592476651.db2.gz FKQJLMXJLIHXQO-OAHLLOKOSA-N 2 0 333.480 1.391 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905347671 592501961 /nfs/dbraw/zinc/50/19/61/592501961.db2.gz BHYHINNHTXYXSK-DLBZAZTESA-N 2 0 328.497 1.259 20 0 EDADRP OC1(CC[NH2+]CC2(O)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000905440507 592535069 /nfs/dbraw/zinc/53/50/69/592535069.db2.gz QNAHXFJNASYMCN-UHFFFAOYSA-N 2 0 348.487 1.535 20 0 EDADRP CCOCC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000905504485 592546789 /nfs/dbraw/zinc/54/67/89/592546789.db2.gz XMVKPGMUGRDABK-OBVSXPTNSA-N 2 0 328.497 1.233 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CCC[C@H]1CO)C12CC[NH+](CC1)C2 ZINC000907287974 592585122 /nfs/dbraw/zinc/58/51/22/592585122.db2.gz KUGLNFGFLOTPSV-SFHVURJKSA-N 2 0 343.471 1.355 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000907345596 592597992 /nfs/dbraw/zinc/59/79/92/592597992.db2.gz SNPUSKUNLBRAGM-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)c1ccnn1CC[NH+](C)C ZINC000909917601 592712938 /nfs/dbraw/zinc/71/29/38/592712938.db2.gz KJTKRDMCBLGHRN-UHFFFAOYSA-N 2 0 349.504 1.710 20 0 EDADRP CC(C)(C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000906219029 592760625 /nfs/dbraw/zinc/76/06/25/592760625.db2.gz PDVNYVNDMUWPMF-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP CC[C@@H](C(=O)N[C@H](CN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000907716742 592769766 /nfs/dbraw/zinc/76/97/66/592769766.db2.gz KCOPXQHQCFNBLJ-PMPSAXMXSA-N 2 0 342.528 1.266 20 0 EDADRP CC(C)C[N@@H+](Cc1cn(-c2ccn(C)n2)nn1)CC1CC[NH+](C)CC1 ZINC000906323886 592796068 /nfs/dbraw/zinc/79/60/68/592796068.db2.gz DZMPFJPWRUCWPL-UHFFFAOYSA-N 2 0 345.495 1.801 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000910268875 592815185 /nfs/dbraw/zinc/81/51/85/592815185.db2.gz YXJQVVJBQVBJAG-CGTJXYLNSA-N 2 0 347.507 1.398 20 0 EDADRP C[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+](C2CC2)C1 ZINC000840762878 592951720 /nfs/dbraw/zinc/95/17/20/592951720.db2.gz FMVLBBZVQXDIGA-AWEZNQCLSA-N 2 0 326.554 1.865 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000911703140 592990355 /nfs/dbraw/zinc/99/03/55/592990355.db2.gz BSSMXUFFBUMAEC-JWTNVVGKSA-N 2 0 345.487 1.959 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911737187 592993274 /nfs/dbraw/zinc/99/32/74/592993274.db2.gz RKSHDKZQJNFVJT-KRWDZBQOSA-N 2 0 333.476 1.770 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=NOC3(C2)CC[NH2+]CC3)cc1 ZINC000911764645 592999966 /nfs/dbraw/zinc/99/99/66/592999966.db2.gz NLDMRAUITKRPHN-INIZCTEOSA-N 2 0 344.459 1.825 20 0 EDADRP CC(C)(C[NH3+])NC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911766122 593000315 /nfs/dbraw/zinc/00/03/15/593000315.db2.gz YKEKDBNKCXEKLV-LBPRGKRZSA-N 2 0 328.254 1.563 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@]1(c2ccccc2)C[C@@H](O)C1 ZINC000912305413 593085383 /nfs/dbraw/zinc/08/53/83/593085383.db2.gz YLXMLHUBOANBNY-XKGZKEIXSA-N 2 0 347.503 1.467 20 0 EDADRP CCC[C@]1(C2CC2)NC(=O)N(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)C1=O ZINC000802734010 593274194 /nfs/dbraw/zinc/27/41/94/593274194.db2.gz OAYYZGSUHJHBKC-SIXWZSSISA-N 2 0 348.491 1.861 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000810441469 593402214 /nfs/dbraw/zinc/40/22/14/593402214.db2.gz MWYJURVKEYLSGZ-CRAIPNDOSA-N 2 0 341.471 1.380 20 0 EDADRP C[NH+](C)CCCNC(=S)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000806592848 593458823 /nfs/dbraw/zinc/45/88/23/593458823.db2.gz DZIQVTUBECPMGS-HNNXBMFYSA-N 2 0 326.485 1.844 20 0 EDADRP C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000817890898 593645668 /nfs/dbraw/zinc/64/56/68/593645668.db2.gz BFZJTPKYLHWOHA-CMPLNLGQSA-N 2 0 343.415 1.278 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000817896660 593646681 /nfs/dbraw/zinc/64/66/81/593646681.db2.gz NYOJPDHCEBASFX-TZMCWYRMSA-N 2 0 344.839 1.488 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2cnc(C)s2)CC[NH2+]CC1 ZINC000817916131 593648069 /nfs/dbraw/zinc/64/80/69/593648069.db2.gz VNSVGWOQTXEAAU-GFCCVEGCSA-N 2 0 325.478 1.905 20 0 EDADRP CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000818167757 593676819 /nfs/dbraw/zinc/67/68/19/593676819.db2.gz VGIABAKQPZRPBW-BZUAXINKSA-N 2 0 339.480 1.146 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000818973357 593731322 /nfs/dbraw/zinc/73/13/22/593731322.db2.gz WDUPZJLIQNPEFO-ZFWWWQNUSA-N 2 0 327.469 1.336 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2F)CC1 ZINC000820134072 593794084 /nfs/dbraw/zinc/79/40/84/593794084.db2.gz WTXJQUSGWAHOPJ-UHFFFAOYSA-N 2 0 348.426 1.331 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1)N1CC[NH+](C)CC1 ZINC000824568975 594039888 /nfs/dbraw/zinc/03/98/88/594039888.db2.gz FGAVXJDWAGCLIU-ZIAGYGMSSA-N 2 0 329.452 1.153 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)C1 ZINC000822980790 594131572 /nfs/dbraw/zinc/13/15/72/594131572.db2.gz NHHYQTIKMRIJLZ-XJKSGUPXSA-N 2 0 342.447 1.944 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3cc(-c4nn[nH]n4)ccc32)CC1 ZINC000826029935 594310244 /nfs/dbraw/zinc/31/02/44/594310244.db2.gz YDWFMCYEDFUFFJ-MRXNPFEDSA-N 2 0 342.447 1.290 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]([NH3+])C1CC1 ZINC000830345631 594379959 /nfs/dbraw/zinc/37/99/59/594379959.db2.gz KVXCLTDRPZYRKG-QAPCUYQASA-N 2 0 330.476 1.441 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CCC[NH+]2C)CCOCC1 ZINC000831584694 594685541 /nfs/dbraw/zinc/68/55/41/594685541.db2.gz DBELKHAIFWEBEI-GOSISDBHSA-N 2 0 345.487 1.878 20 0 EDADRP CCO[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C[NH+](C)C ZINC000831724551 594696489 /nfs/dbraw/zinc/69/64/89/594696489.db2.gz OYIAETNWPOOXKS-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP COc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000841044364 594843813 /nfs/dbraw/zinc/84/38/13/594843813.db2.gz DFNDSLZNBUQXJS-UHFFFAOYSA-N 2 0 333.432 1.005 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC3(C2)CC[NH2+]CC3)C1 ZINC000841648379 594931039 /nfs/dbraw/zinc/93/10/39/594931039.db2.gz GKXHVCNHKZKXRH-INIZCTEOSA-N 2 0 338.496 1.128 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843332013 595076714 /nfs/dbraw/zinc/07/67/14/595076714.db2.gz GHFJWNISDNXSQN-GFCCVEGCSA-N 2 0 341.358 1.516 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000843348964 595082584 /nfs/dbraw/zinc/08/25/84/595082584.db2.gz AOFZWFIYHVMDTO-LLVKDONJSA-N 2 0 331.420 1.527 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN(Cc2nnnn2-c2ccccc2)CC1 ZINC000846221437 595177358 /nfs/dbraw/zinc/17/73/58/595177358.db2.gz JOVNKNASSKGVCU-UHFFFAOYSA-N 2 0 343.479 1.299 20 0 EDADRP CCNC(=O)COc1ccc(C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843054786 595275969 /nfs/dbraw/zinc/27/59/69/595275969.db2.gz HSWHLQPPWSVWDQ-UHFFFAOYSA-N 2 0 349.475 1.912 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000843073984 595281019 /nfs/dbraw/zinc/28/10/19/595281019.db2.gz WKWAXTPVDCCHGB-WMLDXEAASA-N 2 0 328.403 1.825 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000844182337 595294527 /nfs/dbraw/zinc/29/45/27/595294527.db2.gz JHZUFXOYAPLXCU-QRQLOZEOSA-N 2 0 345.487 1.924 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1F ZINC000844188086 595297071 /nfs/dbraw/zinc/29/70/71/595297071.db2.gz OBOUUERWDCNCKV-CQSZACIVSA-N 2 0 346.410 1.656 20 0 EDADRP [NH3+]CCOCC[NH+]1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000844221919 595306781 /nfs/dbraw/zinc/30/67/81/595306781.db2.gz OETFTAGHPFRVOH-UHFFFAOYSA-N 2 0 347.381 1.678 20 0 EDADRP COC(=O)/C=C\c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000848910225 595466238 /nfs/dbraw/zinc/46/62/38/595466238.db2.gz GDVYKRDSRMHAQK-FPLPWBNLSA-N 2 0 335.448 1.535 20 0 EDADRP CC(C)CNC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849068728 595477461 /nfs/dbraw/zinc/47/74/61/595477461.db2.gz JAVGVTGIZJWVKD-UHFFFAOYSA-N 2 0 333.484 1.149 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000849094812 595480950 /nfs/dbraw/zinc/48/09/50/595480950.db2.gz GZUBFWABMURRNM-HNNXBMFYSA-N 2 0 346.475 1.388 20 0 EDADRP CCCCNC(=[NH2+])NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000849117862 595484962 /nfs/dbraw/zinc/48/49/62/595484962.db2.gz YSCVNHRGJUAHCD-UHFFFAOYSA-N 2 0 345.491 1.798 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753447 595526704 /nfs/dbraw/zinc/52/67/04/595526704.db2.gz BEDGVIPMLKRUIC-SJLPKXTDSA-N 2 0 335.492 1.478 20 0 EDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765756 595533651 /nfs/dbraw/zinc/53/36/51/595533651.db2.gz RXAKYAMDFPCGKC-KRWDZBQOSA-N 3 0 348.539 1.908 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000852794528 595546481 /nfs/dbraw/zinc/54/64/81/595546481.db2.gz APQXSXHUVKKGKT-HOTGVXAUSA-N 2 0 345.443 1.922 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849495117 595550388 /nfs/dbraw/zinc/55/03/88/595550388.db2.gz BJCCALLIKFDJEL-SJORKVTESA-N 2 0 333.480 1.008 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCCCC1 ZINC000849504913 595552951 /nfs/dbraw/zinc/55/29/51/595552951.db2.gz GNNHANIEWKXOAT-NXHRZFHOSA-N 2 0 347.507 1.446 20 0 EDADRP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849567936 595572245 /nfs/dbraw/zinc/57/22/45/595572245.db2.gz KVEMXNDHPPPFCJ-WTTBNOFXSA-N 2 0 333.480 1.006 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000852859075 595581011 /nfs/dbraw/zinc/58/10/11/595581011.db2.gz NUPUNHQCNDHECT-JKSUJKDBSA-N 2 0 332.448 1.159 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852871952 595591490 /nfs/dbraw/zinc/59/14/90/595591490.db2.gz FZAFAXQOMWJTCN-DLBZAZTESA-N 2 0 344.459 1.461 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000850750416 595621333 /nfs/dbraw/zinc/62/13/33/595621333.db2.gz XGSUXGJFDLAIAZ-MRXNPFEDSA-N 2 0 348.447 1.399 20 0 EDADRP OCc1cc(NCCN2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000858316123 595762077 /nfs/dbraw/zinc/76/20/77/595762077.db2.gz KOCPCMYHGKLOTJ-UHFFFAOYSA-N 2 0 326.444 1.804 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]c(CO)c2)c1 ZINC000858387406 595781263 /nfs/dbraw/zinc/78/12/63/595781263.db2.gz IXETYDIOSGOAPT-UHFFFAOYSA-N 2 0 328.416 1.477 20 0 EDADRP COC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000850357892 595817314 /nfs/dbraw/zinc/81/73/14/595817314.db2.gz XMBJXQPKTIHTIV-SFHVURJKSA-N 2 0 347.459 1.574 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000851665846 595875348 /nfs/dbraw/zinc/87/53/48/595875348.db2.gz DDVCMTALXILZJI-KGLIPLIRSA-N 2 0 330.423 1.405 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(CC4([NH3+])CC4)n3)cn2)CC1 ZINC000854146165 595989422 /nfs/dbraw/zinc/98/94/22/595989422.db2.gz FAOYJXLFTBSOPE-UHFFFAOYSA-N 2 0 328.420 1.307 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(C[NH2+]C(C)C)n3)cn2)CC1 ZINC000854147098 595990382 /nfs/dbraw/zinc/99/03/82/595990382.db2.gz VCPPNDNRLRCTIJ-UHFFFAOYSA-N 2 0 330.436 1.772 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)COC[C@@H]2CCCO2)cc1 ZINC000859215072 596006173 /nfs/dbraw/zinc/00/61/73/596006173.db2.gz YAIMVSYAPAWCHV-MOPGFXCFSA-N 2 0 336.476 1.737 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000859214227 596007056 /nfs/dbraw/zinc/00/70/56/596007056.db2.gz ODSCNVSOZNMZJZ-QGZVFWFLSA-N 2 0 346.519 1.733 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000852035289 596016577 /nfs/dbraw/zinc/01/65/77/596016577.db2.gz LOCOVONVHROSEC-OWCLPIDISA-N 2 0 343.512 1.923 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)N(C)C)C2)ccn1 ZINC000856584481 596021458 /nfs/dbraw/zinc/02/14/58/596021458.db2.gz KVHRTURUYKPGOD-SFHVURJKSA-N 2 0 348.491 1.855 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585029 596024133 /nfs/dbraw/zinc/02/41/33/596024133.db2.gz XLQZLQKRCRFTGJ-KRWDZBQOSA-N 2 0 330.436 1.347 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H](O)CSC)C2)ccn1 ZINC000856587165 596025794 /nfs/dbraw/zinc/02/57/94/596025794.db2.gz WSELGAWLXYXDFW-NVXWUHKLSA-N 2 0 339.505 1.710 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000861555938 596029219 /nfs/dbraw/zinc/02/92/19/596029219.db2.gz YNWBCLPYTTWCOP-KRWDZBQOSA-N 2 0 347.507 1.183 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856654457 596043371 /nfs/dbraw/zinc/04/33/71/596043371.db2.gz NUWOXIGJKOUPRP-MAUKXSAKSA-N 2 0 348.491 1.852 20 0 EDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106075 596045947 /nfs/dbraw/zinc/04/59/47/596045947.db2.gz TWRKJXWDZLQMTI-QGZVFWFLSA-N 2 0 337.489 1.294 20 0 EDADRP C[C@@H](CNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)[NH+](C)C ZINC000868677531 596268107 /nfs/dbraw/zinc/26/81/07/596268107.db2.gz ODIIMXYDRCCKOF-INIZCTEOSA-N 2 0 332.492 1.899 20 0 EDADRP CCO[C@@H]1C[N@H+](CCOc2ccc(/C=C\C(=O)OC)cc2)C[C@H]1C[NH3+] ZINC000866667569 596286132 /nfs/dbraw/zinc/28/61/32/596286132.db2.gz QFLQCBVWLGAPLB-UBUVMBRLSA-N 2 0 348.443 1.547 20 0 EDADRP CC(C)[NH+]1CCC(CCNS(=O)(=O)N(C)C2CC[NH2+]CC2)CC1 ZINC000866800645 596354034 /nfs/dbraw/zinc/35/40/34/596354034.db2.gz WOSIUGFPAYHIFH-UHFFFAOYSA-N 2 0 346.541 1.015 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)c1csc(C2CC[NH2+]CC2)n1 ZINC000870945057 596414984 /nfs/dbraw/zinc/41/49/84/596414984.db2.gz NXMVYWUYYBSYIA-LLVKDONJSA-N 2 0 330.404 1.337 20 0 EDADRP COCOc1ccc(OC)cc1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000119260232 596501425 /nfs/dbraw/zinc/50/14/25/596501425.db2.gz SFYPLBCHPINIKE-HNNXBMFYSA-N 2 0 337.464 1.403 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NCCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000865244583 596521522 /nfs/dbraw/zinc/52/15/22/596521522.db2.gz BDXOLAUADQNZBK-QZTJIDSGSA-N 2 0 348.560 1.775 20 0 EDADRP CCOC(=O)C1=CC[C@@H]([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000863544061 596613700 /nfs/dbraw/zinc/61/37/00/596613700.db2.gz KDEAXCCTNVFSHN-DZGCQCFKSA-N 2 0 338.448 1.549 20 0 EDADRP Cc1cccc(OCC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549849 596614490 /nfs/dbraw/zinc/61/44/90/596614490.db2.gz KAIZCHQKFDBMTF-MSOLQXFVSA-N 2 0 345.443 1.631 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1cccc(Br)c1 ZINC000867978466 596642445 /nfs/dbraw/zinc/64/24/45/596642445.db2.gz LTMAVZCCKYSHTB-UKRRQHHQSA-N 2 0 338.249 1.803 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)cn2)CC1 ZINC000865764992 596673608 /nfs/dbraw/zinc/67/36/08/596673608.db2.gz HOOWDYAYXVRFFM-UHFFFAOYSA-N 2 0 346.523 1.581 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCC(=O)C(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870017504 596709625 /nfs/dbraw/zinc/70/96/25/596709625.db2.gz PKNKXUGIHPXPCR-HZPDHXFCSA-N 2 0 339.524 1.970 20 0 EDADRP C/C(=C\c1cccnc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018284 596710158 /nfs/dbraw/zinc/71/01/58/596710158.db2.gz ZPCHPHDDZFTNLV-RAQZJCPISA-N 2 0 330.476 1.683 20 0 EDADRP COc1cccc(OC)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020110 596711537 /nfs/dbraw/zinc/71/15/37/596711537.db2.gz CZMRETURPUADJL-HUUCEWRRSA-N 2 0 349.475 1.515 20 0 EDADRP COc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1O ZINC000870021198 596712065 /nfs/dbraw/zinc/71/20/65/596712065.db2.gz CFDSACVREIOWKG-HUUCEWRRSA-N 2 0 335.448 1.212 20 0 EDADRP CCS[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000870021184 596712194 /nfs/dbraw/zinc/71/21/94/596712194.db2.gz BZCBVDUSDSCBFX-BZUAXINKSA-N 2 0 329.554 1.962 20 0 EDADRP CC(C)Oc1cccnc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020707 596712210 /nfs/dbraw/zinc/71/22/10/596712210.db2.gz SOKMAMGPANDZQK-HZPDHXFCSA-N 2 0 348.491 1.680 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868225297 596734847 /nfs/dbraw/zinc/73/48/47/596734847.db2.gz QJZWIABNRLIXAU-JKSUJKDBSA-N 2 0 330.432 1.040 20 0 EDADRP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000863969700 596738327 /nfs/dbraw/zinc/73/83/27/596738327.db2.gz YLZWWZKQQVLHKV-SJORKVTESA-N 2 0 326.481 1.229 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868297297 596773733 /nfs/dbraw/zinc/77/37/33/596773733.db2.gz HWYXBIMQOIJHMB-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000868300638 596775840 /nfs/dbraw/zinc/77/58/40/596775840.db2.gz LWLMQRXJRSDIDM-UHFFFAOYSA-N 2 0 332.448 1.463 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)c1 ZINC000868309869 596783315 /nfs/dbraw/zinc/78/33/15/596783315.db2.gz NQASKVHUEWUMEJ-WBVHZDCISA-N 2 0 344.459 1.287 20 0 EDADRP Cc1nccnc1[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000872135358 596808374 /nfs/dbraw/zinc/80/83/74/596808374.db2.gz VXGYEMROEGWOHW-MRXNPFEDSA-N 2 0 333.480 1.232 20 0 EDADRP Cc1ccc(CCC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cn1 ZINC000872256948 596857296 /nfs/dbraw/zinc/85/72/96/596857296.db2.gz GMVYOIZLRKSJOV-BBWFWOEESA-N 2 0 330.432 1.190 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000872256983 596857562 /nfs/dbraw/zinc/85/75/62/596857562.db2.gz HAZHAADJVNRAGY-FRRDWIJNSA-N 2 0 334.445 1.387 20 0 EDADRP C[C@H]([NH2+]Cc1ccncc1O[C@H]1CC[NH2+]C1)C(C)(C)n1cncn1 ZINC000864370476 596872436 /nfs/dbraw/zinc/87/24/36/596872436.db2.gz PUBIRBFYRVVIKN-ZFWWWQNUSA-N 2 0 330.436 1.327 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)cn1 ZINC000866412328 596880103 /nfs/dbraw/zinc/88/01/03/596880103.db2.gz DYLMSFOGAYOSPO-UHFFFAOYSA-N 2 0 347.507 1.972 20 0 EDADRP COCC1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000875561616 596897620 /nfs/dbraw/zinc/89/76/20/596897620.db2.gz XNZNJQGHLILIEE-HZPDHXFCSA-N 2 0 340.512 1.184 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCC[C@H]2CCOC2)C[C@H]1C[NH+](C)C ZINC000875651227 596933881 /nfs/dbraw/zinc/93/38/81/596933881.db2.gz QDJMMCSTEAMVGF-GVDBMIGSSA-N 2 0 340.512 1.184 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CS1 ZINC000875666909 596939705 /nfs/dbraw/zinc/93/97/05/596939705.db2.gz IMJIPBOYVTZWIR-TUVASFSCSA-N 2 0 328.526 1.261 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CN1C[C@H]2CCCCN2C1=O ZINC000872593020 596980386 /nfs/dbraw/zinc/98/03/86/596980386.db2.gz VBHIEPDZJRUWBL-QBPKDAKJSA-N 2 0 336.480 1.418 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2ncc3ccccc3c2=O)C[C@H]1C[NH+](C)C ZINC000872637159 597002773 /nfs/dbraw/zinc/00/27/73/597002773.db2.gz ARQVOCHEKKNFKV-IAGOWNOFSA-N 2 0 343.475 1.025 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000874431694 597075419 /nfs/dbraw/zinc/07/54/19/597075419.db2.gz BFLRQAROIXOTQW-AOIWGVFYSA-N 2 0 328.460 1.845 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)c1cccc(F)c1 ZINC000874432629 597076735 /nfs/dbraw/zinc/07/67/35/597076735.db2.gz ONHBHQDAPNAHQL-YXJHDRRASA-N 2 0 334.439 1.679 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876518112 597227949 /nfs/dbraw/zinc/22/79/49/597227949.db2.gz AKRDZGMKOPEDSK-HZPDHXFCSA-N 2 0 345.443 1.907 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)C1 ZINC000876521841 597229243 /nfs/dbraw/zinc/22/92/43/597229243.db2.gz YOXYLNFKVBVCKA-KBPBESRZSA-N 2 0 329.400 1.581 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873215518 597230471 /nfs/dbraw/zinc/23/04/71/597230471.db2.gz BSGZPOCEHCQNOW-UHFFFAOYSA-N 2 0 331.420 1.405 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000875014075 597244199 /nfs/dbraw/zinc/24/41/99/597244199.db2.gz GVQCODJIRPKIOG-BBWFWOEESA-N 2 0 338.496 1.079 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)n2)CC1 ZINC000873323102 597256472 /nfs/dbraw/zinc/25/64/72/597256472.db2.gz MJIZXKVKCHXTSF-SUMWQHHRSA-N 2 0 332.452 1.223 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875161998 597308945 /nfs/dbraw/zinc/30/89/45/597308945.db2.gz KTWQUZGZRVMVRH-BRWVUGGUSA-N 3 0 341.544 1.098 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000876727760 597309237 /nfs/dbraw/zinc/30/92/37/597309237.db2.gz BNAXAQHLEVHKNY-JKSUJKDBSA-N 2 0 333.480 1.530 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C/[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000876737860 597314988 /nfs/dbraw/zinc/31/49/88/597314988.db2.gz VABHPTLASVQXLP-QNRUKEONSA-N 2 0 335.492 1.642 20 0 EDADRP C[C@H](CNC(=O)c1c(C[NH3+])cnn1C)[N@@H+]1CCc2ccccc2C1 ZINC000876738795 597315412 /nfs/dbraw/zinc/31/54/12/597315412.db2.gz ASNJNSCAKPIHJH-CYBMUJFWSA-N 2 0 327.432 1.055 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000876755056 597323501 /nfs/dbraw/zinc/32/35/01/597323501.db2.gz QZISAXWOKXOAPL-PKVWGGKHSA-N 2 0 345.487 1.697 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876765915 597330409 /nfs/dbraw/zinc/33/04/09/597330409.db2.gz WQIPQMKPBAZJBG-GJZGRUSLSA-N 2 0 343.512 1.802 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782601 597338761 /nfs/dbraw/zinc/33/87/61/597338761.db2.gz XTFJNSXRWGUJDL-ZWKOTPCHSA-N 2 0 344.503 1.424 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)C1CCCC1 ZINC000875241799 597349595 /nfs/dbraw/zinc/34/95/95/597349595.db2.gz OIXZXOXQTYUCLY-AWEZNQCLSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000876854325 597359995 /nfs/dbraw/zinc/35/99/95/597359995.db2.gz QZUYJVLRVIRTKB-DLBZAZTESA-N 2 0 345.491 1.578 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000876855444 597360374 /nfs/dbraw/zinc/36/03/74/597360374.db2.gz SEDTUHWAMNFXDO-ARFHVFGLSA-N 2 0 333.863 1.901 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000877119087 597437162 /nfs/dbraw/zinc/43/71/62/597437162.db2.gz ABTSIKVTOBBSBF-QZTJIDSGSA-N 2 0 331.460 1.393 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877142743 597442318 /nfs/dbraw/zinc/44/23/18/597442318.db2.gz VIUARFLZCNWQAM-CQSZACIVSA-N 2 0 327.494 1.934 20 0 EDADRP CN(C(=O)c1csc(C2CC[NH2+]CC2)n1)[C@H]1C[NH+]2CCC1CC2 ZINC000877146726 597442590 /nfs/dbraw/zinc/44/25/90/597442590.db2.gz ZXBVVSPGZYDVSX-HNNXBMFYSA-N 2 0 334.489 1.776 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000877354875 597499431 /nfs/dbraw/zinc/49/94/31/597499431.db2.gz DYVKKDYEESWHLE-ZJUUUORDSA-N 2 0 333.379 1.603 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877362270 597501465 /nfs/dbraw/zinc/50/14/65/597501465.db2.gz ZTNIHUZPJUTFKL-NEPJUHHUSA-N 2 0 341.443 1.657 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1C(F)(F)F ZINC000877370901 597503336 /nfs/dbraw/zinc/50/33/36/597503336.db2.gz HZETXSLXZKIOOF-BNOWGMLFSA-N 2 0 327.350 1.469 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000877389379 597507630 /nfs/dbraw/zinc/50/76/30/597507630.db2.gz BZUYOMVCPAMWMY-QUCCMNQESA-N 2 0 342.487 1.448 20 0 EDADRP COCC[N@H+](CC1CC[NH+](C)CC1)CC(C)(C)N1CCOCC1 ZINC000877664322 597546083 /nfs/dbraw/zinc/54/60/83/597546083.db2.gz NNDKSYMDXVEOTI-UHFFFAOYSA-N 2 0 327.513 1.387 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C[C@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000879580147 597642468 /nfs/dbraw/zinc/64/24/68/597642468.db2.gz RVBSTOAPEWUNKA-VAMGGRTRSA-N 2 0 329.488 1.649 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883139705 597664586 /nfs/dbraw/zinc/66/45/86/597664586.db2.gz WYVZTWMQXFIDJG-INIZCTEOSA-N 2 0 349.479 1.270 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883416265 597739200 /nfs/dbraw/zinc/73/92/00/597739200.db2.gz QMEDFLLLJHYEBC-INIZCTEOSA-N 2 0 336.480 1.166 20 0 EDADRP [NH3+]CCCOC1CC[NH+](C[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883418608 597739881 /nfs/dbraw/zinc/73/98/81/597739881.db2.gz MVUHJYJZHKINNN-QGZVFWFLSA-N 2 0 326.481 1.792 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000883424064 597741894 /nfs/dbraw/zinc/74/18/94/597741894.db2.gz DRQKQPJJBFGLFQ-STQMWFEESA-N 2 0 337.386 1.493 20 0 EDADRP Brc1ccccc1CC[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000883430287 597744063 /nfs/dbraw/zinc/74/40/63/597744063.db2.gz RJKGIKSWTNNVOI-OAHLLOKOSA-N 2 0 338.293 1.971 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)O3)C2)nn1 ZINC000883431740 597744396 /nfs/dbraw/zinc/74/43/96/597744396.db2.gz CMDFDFMNOARBBF-HOTGVXAUSA-N 2 0 335.452 1.102 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883436302 597745935 /nfs/dbraw/zinc/74/59/35/597745935.db2.gz PFZVLQMXPXTPQS-RDJZCZTQSA-N 2 0 343.475 1.786 20 0 EDADRP C[C@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCN1c1cc[nH+]cc1 ZINC000883448211 597750966 /nfs/dbraw/zinc/75/09/66/597750966.db2.gz XFVKDVQAWOQCOT-VDGAXYAQSA-N 3 0 340.471 1.523 20 0 EDADRP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](C[C@H](O)Cn1cccn1)C2 ZINC000880021050 597812147 /nfs/dbraw/zinc/81/21/47/597812147.db2.gz WTDQDILFNLLJPG-AABGKKOBSA-N 2 0 340.471 1.698 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586322 597814397 /nfs/dbraw/zinc/81/43/97/597814397.db2.gz JCBKFVIXDZLTRJ-QZTJIDSGSA-N 2 0 343.475 1.926 20 0 EDADRP CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)[C@@H]1CC[NH2+]C1 ZINC000883586771 597815521 /nfs/dbraw/zinc/81/55/21/597815521.db2.gz SAJYZJYYJSGXHR-QZTJIDSGSA-N 2 0 343.475 1.797 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn3ccccc23)C[C@H]1C[NH+](C)C ZINC000880126666 597848144 /nfs/dbraw/zinc/84/81/44/597848144.db2.gz WVEBTGYYIZXFJI-HUUCEWRRSA-N 2 0 344.463 1.537 20 0 EDADRP Cc1cc(N2CC[C@H]([NH+]3CCC4(CC[NH+](C)CC4)CC3)C2=O)n(C)n1 ZINC000879247377 597863394 /nfs/dbraw/zinc/86/33/94/597863394.db2.gz BOPNECMQFGUHTO-INIZCTEOSA-N 2 0 345.491 1.642 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)CC2(CO)CCCC2)CCN1c1cc[nH+]cc1 ZINC000880259726 597885886 /nfs/dbraw/zinc/88/58/86/597885886.db2.gz ZVMPOWPOEJGZDQ-SJLPKXTDSA-N 2 0 333.476 1.896 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2)C1 ZINC000883801677 597907198 /nfs/dbraw/zinc/90/71/98/597907198.db2.gz ITJVGSYHOJNMRZ-ZWKOTPCHSA-N 2 0 330.476 1.963 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000880604354 597978866 /nfs/dbraw/zinc/97/88/66/597978866.db2.gz USYXUQKGCHQSKJ-AWEZNQCLSA-N 2 0 335.452 1.110 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884177004 598015676 /nfs/dbraw/zinc/01/56/76/598015676.db2.gz XJDBLLTUFOXLND-INIZCTEOSA-N 2 0 347.507 1.732 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000884179388 598016246 /nfs/dbraw/zinc/01/62/46/598016246.db2.gz MYIUZWJUUGYQNX-SJORKVTESA-N 2 0 335.448 1.312 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000884195626 598023145 /nfs/dbraw/zinc/02/31/45/598023145.db2.gz UFEQSWHFCDGJDQ-INIZCTEOSA-N 2 0 331.460 1.985 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]1 ZINC000884266766 598048455 /nfs/dbraw/zinc/04/84/55/598048455.db2.gz HTWVXMLDZUPZQH-ZIAGYGMSSA-N 2 0 340.265 1.905 20 0 EDADRP CC1([NH+]2CCC2)CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000882767438 598050575 /nfs/dbraw/zinc/05/05/75/598050575.db2.gz NUVXMHHGKRTOON-UHFFFAOYSA-N 2 0 329.510 1.362 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Br)cc1 ZINC000884360242 598080488 /nfs/dbraw/zinc/08/04/88/598080488.db2.gz XJPMSQMOBABBRX-TYNCELHUSA-N 2 0 340.265 1.865 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884394121 598091678 /nfs/dbraw/zinc/09/16/78/598091678.db2.gz VASGFJOUMHFJET-SJORKVTESA-N 2 0 343.475 1.238 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000884432203 598103596 /nfs/dbraw/zinc/10/35/96/598103596.db2.gz WUIWWGODBFLLIV-INIZCTEOSA-N 2 0 348.491 1.926 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000884462385 598112048 /nfs/dbraw/zinc/11/20/48/598112048.db2.gz CZPQQCFPKZYBPM-GOEBONIOSA-N 2 0 328.460 1.932 20 0 EDADRP CCO[C@H](CNC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914342584 695367012 /nfs/dbraw/zinc/36/70/12/695367012.db2.gz ZZBPVPXFLVNYJG-BZUAXINKSA-N 2 0 328.501 1.373 20 0 EDADRP CO[C@H](CN1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1)C1CCC1 ZINC001031050700 695385476 /nfs/dbraw/zinc/38/54/76/695385476.db2.gz UVECNYRWYKQYSH-QZTJIDSGSA-N 2 0 337.508 1.865 20 0 EDADRP O=C(C1CC[NH+](CC2CC2)CC1)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992861739 695410478 /nfs/dbraw/zinc/41/04/78/695410478.db2.gz OQDQTDRPBDPOTQ-FHWLQOOXSA-N 2 0 349.519 1.317 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)cc1 ZINC000992855474 695416038 /nfs/dbraw/zinc/41/60/38/695416038.db2.gz JOMGYXBPJQIFEL-IPMKNSEASA-N 2 0 345.487 1.571 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992906224 695443973 /nfs/dbraw/zinc/44/39/73/695443973.db2.gz LJTSZDINELRRIQ-RYQLBKOJSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263837 696075820 /nfs/dbraw/zinc/07/58/20/696075820.db2.gz BWTUDAICCZBAJH-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCC[N@@H+]1CCn1cccn1 ZINC000993929367 696448492 /nfs/dbraw/zinc/44/84/92/696448492.db2.gz PKWMLAAXRJWBPW-WMZOPIPTSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1ncsc1CC[NH+]1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015707074 696609360 /nfs/dbraw/zinc/60/93/60/696609360.db2.gz ZGLCUZSAACXSIC-UKRRQHHQSA-N 2 0 336.505 1.526 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1)C[NH+](C)C ZINC000916865169 696800822 /nfs/dbraw/zinc/80/08/22/696800822.db2.gz JGTAIAQZYOTGGF-CVEARBPZSA-N 2 0 328.501 1.373 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCCO)CC3)CC[N@@H+]1C ZINC001040822924 697085998 /nfs/dbraw/zinc/08/59/98/697085998.db2.gz PXEPSEZPVKKFGF-IRXDYDNUSA-N 2 0 337.508 1.414 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000918666381 697196963 /nfs/dbraw/zinc/19/69/63/697196963.db2.gz QEFDNWDVSQHBPR-UHFFFAOYSA-N 2 0 335.452 1.058 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000918894976 697221416 /nfs/dbraw/zinc/22/14/16/697221416.db2.gz ZDYNPRRVEMSUAU-DOTOQJQBSA-N 2 0 331.464 1.610 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001031584373 697279845 /nfs/dbraw/zinc/27/98/45/697279845.db2.gz CFKBNTJSRVMDOM-IAGOWNOFSA-N 2 0 335.423 1.001 20 0 EDADRP COc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001031584927 697280418 /nfs/dbraw/zinc/28/04/18/697280418.db2.gz MSQJAGHOYYNGIY-LJQANCHMSA-N 2 0 345.487 1.770 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668597 697461150 /nfs/dbraw/zinc/46/11/50/697461150.db2.gz KOTXOVHMAFMCHZ-IRXDYDNUSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675745 697488104 /nfs/dbraw/zinc/48/81/04/697488104.db2.gz QVWQXBSXMSZWIB-IBGZPJMESA-N 2 0 327.472 1.885 20 0 EDADRP CCCC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679401 697496696 /nfs/dbraw/zinc/49/66/96/697496696.db2.gz UPNOPPATODJVFX-MSOLQXFVSA-N 2 0 337.508 1.581 20 0 EDADRP COc1ccc(F)cc1CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001031681291 697504200 /nfs/dbraw/zinc/50/42/00/697504200.db2.gz MBDFSFOVMWRWET-CXAGYDPISA-N 2 0 349.450 1.723 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H](OC)C3CCC3)C2)CC[N@@H+]1C ZINC001031685594 697519145 /nfs/dbraw/zinc/51/91/45/697519145.db2.gz CXPOGLPQZSTDSX-RCCFBDPRSA-N 2 0 337.508 1.580 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031713836 697739557 /nfs/dbraw/zinc/73/95/57/697739557.db2.gz GHGSRDGQYUWWKC-ZWKOTPCHSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](C#N)Oc1ccc(C[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000237567741 698017385 /nfs/dbraw/zinc/01/73/85/698017385.db2.gz WGVPROVORSYTDX-NVXWUHKLSA-N 2 0 344.459 1.654 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001031729618 698055616 /nfs/dbraw/zinc/05/56/16/698055616.db2.gz RDBZVVXQZSSERG-DLBZAZTESA-N 2 0 325.497 1.437 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730212 698066879 /nfs/dbraw/zinc/06/68/79/698066879.db2.gz HEKAIZHGNOQUQG-MAUKXSAKSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cncs3)CC2)CC[N@@H+]1C ZINC000940117038 700249566 /nfs/dbraw/zinc/24/95/66/700249566.db2.gz OTPINELPYFTGDW-UKRRQHHQSA-N 2 0 336.505 1.954 20 0 EDADRP C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1NC(=O)Cc1ncc[nH]1 ZINC000943765230 698814564 /nfs/dbraw/zinc/81/45/64/698814564.db2.gz BQIMEMQCLSXSMV-RDJZCZTQSA-N 2 0 342.443 1.858 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](Cc3ccnn3C)C[C@@H]2C)CC1 ZINC000943756430 698831770 /nfs/dbraw/zinc/83/17/70/698831770.db2.gz PSVIMVTWEKUAPQ-FUHWJXTLSA-N 2 0 347.507 1.479 20 0 EDADRP O=C(N1CCN(C2C[NH+](CCC3CC3)C2)CC1)C12CCC[NH+]1CCC2 ZINC000941475676 701551469 /nfs/dbraw/zinc/55/14/69/701551469.db2.gz UMLPOQZBYRODBQ-UHFFFAOYSA-N 2 0 346.519 1.243 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939054734 699115369 /nfs/dbraw/zinc/11/53/69/699115369.db2.gz OCIRHHFHTANSKM-CXAGYDPISA-N 2 0 334.439 1.499 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939137834 699225284 /nfs/dbraw/zinc/22/52/84/699225284.db2.gz OCLXLMIHICCHJA-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001031806597 699429713 /nfs/dbraw/zinc/42/97/13/699429713.db2.gz IDUVPZSSAIQKKA-AEFFLSMTSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939257040 699434429 /nfs/dbraw/zinc/43/44/29/699434429.db2.gz IULPSMULOPDVPG-KBXCAEBGSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939259709 699437487 /nfs/dbraw/zinc/43/74/87/699437487.db2.gz VUPKBQFEMLHAFP-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939256125 699448520 /nfs/dbraw/zinc/44/85/20/699448520.db2.gz AUNQASPHGIDFEE-KSSFIOAISA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939395898 699545796 /nfs/dbraw/zinc/54/57/96/699545796.db2.gz HSBJHJCPPNZKFV-AEFFLSMTSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939398639 699547802 /nfs/dbraw/zinc/54/78/02/699547802.db2.gz PMYUSODNAFFOHB-WMZOPIPTSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H]1CN(C(=O)C(C)(C)c2cnc[nH]2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939541406 699682172 /nfs/dbraw/zinc/68/21/72/699682172.db2.gz NNZLEAYPHMVHPO-JSGCOSHPSA-N 2 0 330.436 1.058 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCC(C)(C)C)C3)CC2)C1 ZINC000941665565 701619359 /nfs/dbraw/zinc/61/93/59/701619359.db2.gz JVMJRTOADSBHCA-INIZCTEOSA-N 2 0 336.524 1.203 20 0 EDADRP COCc1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1 ZINC000939753686 699903351 /nfs/dbraw/zinc/90/33/51/699903351.db2.gz HFCATHYKHLFNJQ-APWZRJJASA-N 2 0 345.487 1.865 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CC4CCCCC4)C3)CC2)C1 ZINC000941666341 701620774 /nfs/dbraw/zinc/62/07/74/701620774.db2.gz VYGKWIYGHNZKCI-SFHVURJKSA-N 2 0 348.535 1.347 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC3(C2)CC[NH+](CCO)CC3)C1 ZINC001040912213 699923512 /nfs/dbraw/zinc/92/35/12/699923512.db2.gz LUFXGGWJWHALDF-IRXDYDNUSA-N 2 0 337.508 1.414 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995013546 699947995 /nfs/dbraw/zinc/94/79/95/699947995.db2.gz IUZRYMPJXLYBIZ-LSDHHAIUSA-N 2 0 347.463 1.381 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)cn1 ZINC000939809130 699957542 /nfs/dbraw/zinc/95/75/42/699957542.db2.gz HJKNAVZIJAMHML-YJBOKZPZSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000940149624 700282619 /nfs/dbraw/zinc/28/26/19/700282619.db2.gz MQYICBWZJVIJCV-QGZVFWFLSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)on1 ZINC000940154400 700284713 /nfs/dbraw/zinc/28/47/13/700284713.db2.gz WYRKRTLEUKQOFB-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000940163108 700297431 /nfs/dbraw/zinc/29/74/31/700297431.db2.gz SFIWBODDGLDZHJ-AWEZNQCLSA-N 2 0 339.509 1.595 20 0 EDADRP COC[C@H](C)[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031875271 700374579 /nfs/dbraw/zinc/37/45/79/700374579.db2.gz LQLGGMOJFVNFMQ-HNNXBMFYSA-N 2 0 333.476 1.487 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000940281899 700470695 /nfs/dbraw/zinc/47/06/95/700470695.db2.gz CMEDETSNQUIDNT-BBWFWOEESA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000940328393 700506735 /nfs/dbraw/zinc/50/67/35/700506735.db2.gz IQNGFBIUWOBOBH-AWEZNQCLSA-N 2 0 334.464 1.938 20 0 EDADRP CC1([NH2+]Cc2ccc(F)cn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428196 700622483 /nfs/dbraw/zinc/62/24/83/700622483.db2.gz XWDDAFSCOJBEGJ-UHFFFAOYSA-N 2 0 346.450 1.787 20 0 EDADRP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457796 700661441 /nfs/dbraw/zinc/66/14/41/700661441.db2.gz VFLWAEKOWDQKEL-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457684 700661472 /nfs/dbraw/zinc/66/14/72/700661472.db2.gz PNTLABXDFJSNHE-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000940461767 700665256 /nfs/dbraw/zinc/66/52/56/700665256.db2.gz JTVQUQQSKWCNBP-HNNXBMFYSA-N 2 0 333.480 1.151 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)oc1C ZINC000940461916 700665536 /nfs/dbraw/zinc/66/55/36/700665536.db2.gz RHECVHZMMFILQF-UHFFFAOYSA-N 2 0 334.464 1.858 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccccn3)C2)CC1 ZINC000995079963 700695172 /nfs/dbraw/zinc/69/51/72/700695172.db2.gz QAJAEEDSDAFOID-DOTOQJQBSA-N 2 0 330.476 1.798 20 0 EDADRP CC1(C)C[N@H+](CCCF)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940745737 700872384 /nfs/dbraw/zinc/87/23/84/700872384.db2.gz TXCWPZGZOLLCTC-HZPDHXFCSA-N 2 0 325.472 1.905 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](CC3CC3)CC2(C)C)n1 ZINC000940754089 700890688 /nfs/dbraw/zinc/89/06/88/700890688.db2.gz TXLZMISPFJXKJS-KRWDZBQOSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)[nH]1 ZINC000995107814 700971547 /nfs/dbraw/zinc/97/15/47/700971547.db2.gz SAWVLLUDRABXCT-LSDHHAIUSA-N 2 0 348.495 1.220 20 0 EDADRP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900006 700975273 /nfs/dbraw/zinc/97/52/73/700975273.db2.gz APTHLKFONFRZKW-RXCRORICSA-N 2 0 349.519 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940972633 701014797 /nfs/dbraw/zinc/01/47/97/701014797.db2.gz OMZVTAISCFLFJH-IAGOWNOFSA-N 2 0 339.524 1.708 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CN(Cc2cccnc2)C1 ZINC001031932273 701375408 /nfs/dbraw/zinc/37/54/08/701375408.db2.gz INASSMYCTKRKNH-UHFFFAOYSA-N 2 0 328.416 1.598 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238671 701428967 /nfs/dbraw/zinc/42/89/67/701428967.db2.gz ZMRWNJGENRSEPS-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2cccnc2)C1 ZINC000999171199 706601141 /nfs/dbraw/zinc/60/11/41/706601141.db2.gz URQFZXULABFZDJ-MSOLQXFVSA-N 2 0 328.460 1.504 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941460301 701544220 /nfs/dbraw/zinc/54/42/20/701544220.db2.gz PDLUSDRZWYUYCL-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]([NH2+]CC3CCCC3)C2)n1 ZINC000999181209 706608433 /nfs/dbraw/zinc/60/84/33/706608433.db2.gz JQIGXYWOLQEJCY-QGZVFWFLSA-N 2 0 347.507 1.829 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCC(F)(F)C2)C1)C12CC[NH+](CC1)C2 ZINC001032130472 701843688 /nfs/dbraw/zinc/84/36/88/701843688.db2.gz RRPFTJSWGMSXNY-ZDUSSCGKSA-N 2 0 327.419 1.566 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999177332 706619815 /nfs/dbraw/zinc/61/98/15/706619815.db2.gz XYBKGKFTDWARAI-ROUUACIJSA-N 2 0 335.492 1.335 20 0 EDADRP CCN1CCO[C@H](C(=O)NCC2C[NH+](CCc3ccc(C)cc3)C2)C1 ZINC001032201960 701909503 /nfs/dbraw/zinc/90/95/03/701909503.db2.gz LQYNFJXIMJDCDZ-IBGZPJMESA-N 2 0 345.487 1.306 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC000995822239 702091397 /nfs/dbraw/zinc/09/13/97/702091397.db2.gz LFEVXBJTZPYLTC-GJZGRUSLSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)CC[N@@H+]1C ZINC000995832448 702108784 /nfs/dbraw/zinc/10/87/84/702108784.db2.gz MVVXJIJNUUPVLE-DJIMGWMZSA-N 2 0 337.508 1.580 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897320 702201488 /nfs/dbraw/zinc/20/14/88/702201488.db2.gz QQDHTFPNKDGWOH-HZPDHXFCSA-N 2 0 333.480 1.087 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897310 702201553 /nfs/dbraw/zinc/20/15/53/702201553.db2.gz QQDHTFPNKDGWOH-CVEARBPZSA-N 2 0 333.480 1.087 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995920100 702240572 /nfs/dbraw/zinc/24/05/72/702240572.db2.gz SHVGPCBUMMPGJT-AWEZNQCLSA-N 2 0 335.452 1.189 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995924666 702250288 /nfs/dbraw/zinc/25/02/88/702250288.db2.gz ISIUEXQCWSYYNE-CVEARBPZSA-N 2 0 336.480 1.896 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3ccc4cc[nH]c4c3)C2)C1 ZINC001032186864 702286002 /nfs/dbraw/zinc/28/60/02/702286002.db2.gz YHXMAPMSHOVKLL-KRWDZBQOSA-N 2 0 326.444 1.668 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995951587 702315162 /nfs/dbraw/zinc/31/51/62/702315162.db2.gz PVMQYUHXPGHPPN-CVEARBPZSA-N 2 0 335.496 1.129 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186427 702325789 /nfs/dbraw/zinc/32/57/89/702325789.db2.gz QBYPHXSOZPNUQS-LSDHHAIUSA-N 2 0 329.435 1.812 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995981909 702341560 /nfs/dbraw/zinc/34/15/60/702341560.db2.gz OEUPLJXHNMKMOT-HUUCEWRRSA-N 2 0 336.505 1.954 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](NCc2csnn2)C(C)(C)C1 ZINC000995982846 702342773 /nfs/dbraw/zinc/34/27/73/702342773.db2.gz PYDZNBSUNBEOET-ZIAGYGMSSA-N 2 0 337.493 1.349 20 0 EDADRP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000995984600 702344927 /nfs/dbraw/zinc/34/49/27/702344927.db2.gz JYZZFBMNIIAQKC-HNNXBMFYSA-N 2 0 325.497 1.458 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995985582 702346889 /nfs/dbraw/zinc/34/68/89/702346889.db2.gz WJJBZQRHARIISH-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169114 702410290 /nfs/dbraw/zinc/41/02/90/702410290.db2.gz MDTKDBJFDCJHFZ-HOCLYGCPSA-N 2 0 343.475 1.207 20 0 EDADRP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC001031994437 702594535 /nfs/dbraw/zinc/59/45/35/702594535.db2.gz YCXNVWGWAFZFFZ-LZQZEXGQSA-N 2 0 345.487 1.415 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996248718 702651439 /nfs/dbraw/zinc/65/14/39/702651439.db2.gz OHOZEUFLQRWRIF-INIZCTEOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)Cc3cnc[nH]3)CC2(C)C)s1 ZINC000996353870 702731757 /nfs/dbraw/zinc/73/17/57/702731757.db2.gz DQOCDGBNHOYSCJ-CYBMUJFWSA-N 2 0 333.461 1.744 20 0 EDADRP Cc1cc(CN2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)no1 ZINC000942257138 702748130 /nfs/dbraw/zinc/74/81/30/702748130.db2.gz JNZMJVWQSZTSMI-RHSMWYFYSA-N 2 0 346.475 1.938 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC000996413902 702765125 /nfs/dbraw/zinc/76/51/25/702765125.db2.gz HMMQLENLZOPTMF-RHSMWYFYSA-N 2 0 333.476 1.569 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996462993 702790474 /nfs/dbraw/zinc/79/04/74/702790474.db2.gz DOVYKXQHKXOBHY-KRWDZBQOSA-N 2 0 348.495 1.251 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465155 702792418 /nfs/dbraw/zinc/79/24/18/702792418.db2.gz RJEPQWHHCNXLOT-KRWDZBQOSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996502126 702840639 /nfs/dbraw/zinc/84/06/39/702840639.db2.gz RFSXJZKDKRMPLX-WBVHZDCISA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996517007 702852494 /nfs/dbraw/zinc/85/24/94/702852494.db2.gz DCJCQOQNJOLMNA-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000996518669 702854316 /nfs/dbraw/zinc/85/43/16/702854316.db2.gz GAZKWSGYIDPBKX-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559845 702878058 /nfs/dbraw/zinc/87/80/58/702878058.db2.gz FXVLKIADEPFEAA-MRXNPFEDSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996611369 702916528 /nfs/dbraw/zinc/91/65/28/702916528.db2.gz MONHVSRNKHWUIC-INIZCTEOSA-N 2 0 334.464 1.714 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996612821 702917581 /nfs/dbraw/zinc/91/75/81/702917581.db2.gz RRAVFBAMSMPOEJ-MRXNPFEDSA-N 2 0 348.491 1.968 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000996624197 702921757 /nfs/dbraw/zinc/92/17/57/702921757.db2.gz WYLRFMWILURYFW-QZTJIDSGSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616451 702923785 /nfs/dbraw/zinc/92/37/85/702923785.db2.gz SBGGSBRPVIJGNN-WBVHZDCISA-N 2 0 330.476 1.668 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996625359 702928948 /nfs/dbraw/zinc/92/89/48/702928948.db2.gz RJTPFNYRWNXYOO-RDJZCZTQSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC000996661763 702959066 /nfs/dbraw/zinc/95/90/66/702959066.db2.gz AAZLYDWRNAEAQZ-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000996660878 702962853 /nfs/dbraw/zinc/96/28/53/702962853.db2.gz KANQVXPWGBQGDS-HNNXBMFYSA-N 2 0 334.468 1.068 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nn1C ZINC000996666466 702963147 /nfs/dbraw/zinc/96/31/47/702963147.db2.gz SBDBUEMKMPVVCX-UHFFFAOYSA-N 2 0 333.480 1.293 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000996667199 702964261 /nfs/dbraw/zinc/96/42/61/702964261.db2.gz UXQWMXKEEQSBKK-UHFFFAOYSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996667532 702964875 /nfs/dbraw/zinc/96/48/75/702964875.db2.gz CVMVQMYXELZUBK-MRXNPFEDSA-N 2 0 348.495 1.159 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1)C1CCC1 ZINC000996665593 702968032 /nfs/dbraw/zinc/96/80/32/702968032.db2.gz NBIKUDDSISSCJT-UHFFFAOYSA-N 2 0 334.439 1.786 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)c1csnn1 ZINC000996671524 702972582 /nfs/dbraw/zinc/97/25/82/702972582.db2.gz GYSYTFILRIFUFH-GFCCVEGCSA-N 2 0 337.493 1.664 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]Cc2nncs2)CC1 ZINC000996688345 702985443 /nfs/dbraw/zinc/98/54/43/702985443.db2.gz IBBNGSQFIPWFIH-CQSZACIVSA-N 2 0 337.493 1.493 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)ncn1 ZINC000996694279 702991430 /nfs/dbraw/zinc/99/14/30/702991430.db2.gz SFKKBWXJZLELFR-KRWDZBQOSA-N 2 0 333.480 1.452 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)[nH]1 ZINC000996712459 703007598 /nfs/dbraw/zinc/00/75/98/703007598.db2.gz PHNXARQFQSPAHX-TZMCWYRMSA-N 2 0 336.484 1.349 20 0 EDADRP COc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996721993 703016900 /nfs/dbraw/zinc/01/69/00/703016900.db2.gz IFDXTTLLFJTFKM-MRXNPFEDSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCc4cncn4C3)CC2)o1 ZINC000996760091 703048322 /nfs/dbraw/zinc/04/83/22/703048322.db2.gz SGKWAPVDDOWABJ-CQSZACIVSA-N 2 0 343.431 1.523 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001032027412 703049345 /nfs/dbraw/zinc/04/93/45/703049345.db2.gz RCCBABXMYPOXNU-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1)C(N)=O ZINC000996749245 703050016 /nfs/dbraw/zinc/05/00/16/703050016.db2.gz ZNSYYBDKPOBBJU-INIZCTEOSA-N 2 0 343.431 1.101 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032026319 703052463 /nfs/dbraw/zinc/05/24/63/703052463.db2.gz CDVXYIHQDRPDTJ-AEFFLSMTSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996764791 703053298 /nfs/dbraw/zinc/05/32/98/703053298.db2.gz FNOSHKHNWNFTRI-CYBMUJFWSA-N 2 0 347.463 1.648 20 0 EDADRP O=C(N1CCC([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C12CCC[NH+]1CCC2 ZINC000996768392 703059701 /nfs/dbraw/zinc/05/97/01/703059701.db2.gz ZZPRPALMRHEKDE-QFBILLFUSA-N 2 0 347.503 1.622 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC000996867154 703140012 /nfs/dbraw/zinc/14/00/12/703140012.db2.gz CTQDDAKITGVNCP-UHFFFAOYSA-N 2 0 347.507 1.858 20 0 EDADRP CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC000995267459 703187579 /nfs/dbraw/zinc/18/75/79/703187579.db2.gz LIEUGRSNQFPNHM-MSOLQXFVSA-N 2 0 330.476 1.704 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996922987 703193974 /nfs/dbraw/zinc/19/39/74/703193974.db2.gz PXMYOTFVIUYXIR-GJZGRUSLSA-N 2 0 348.495 1.109 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)c2occc2C[NH+](C)C)CC1 ZINC000996932428 703204767 /nfs/dbraw/zinc/20/47/67/703204767.db2.gz DIUVQDRBIVFPMX-UHFFFAOYSA-N 2 0 345.447 1.469 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996951162 703221947 /nfs/dbraw/zinc/22/19/47/703221947.db2.gz CGMDWSPPIDBZNT-ZDUSSCGKSA-N 2 0 349.479 1.615 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000996963582 703232168 /nfs/dbraw/zinc/23/21/68/703232168.db2.gz FGNJEGKMOZPZQM-GOSISDBHSA-N 2 0 347.507 1.496 20 0 EDADRP Cc1conc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996978793 703234081 /nfs/dbraw/zinc/23/40/81/703234081.db2.gz JRWYTZAKSPOGEY-RHSMWYFYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996999071 703255946 /nfs/dbraw/zinc/25/59/46/703255946.db2.gz LTYZAMLFPFLELB-AWEZNQCLSA-N 2 0 331.464 1.350 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1 ZINC000997005081 703262254 /nfs/dbraw/zinc/26/22/54/703262254.db2.gz CFGMBJKHRYMPEH-CJNGLKHVSA-N 2 0 346.475 1.830 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000997005387 703262700 /nfs/dbraw/zinc/26/27/00/703262700.db2.gz DJAVKWROWFSQMV-WBMJQRKESA-N 2 0 334.464 1.570 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006905 703264070 /nfs/dbraw/zinc/26/40/70/703264070.db2.gz HFRGCZAHFKIPBZ-DYVFJYSZSA-N 2 0 334.439 1.499 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997007978 703265529 /nfs/dbraw/zinc/26/55/29/703265529.db2.gz SKVRGQQFQIHEAT-CQSZACIVSA-N 2 0 331.464 1.207 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2c(C)nnn2CC)CC1)[NH+](C)C ZINC000997008768 703267237 /nfs/dbraw/zinc/26/72/37/703267237.db2.gz GHGNSTHQKSBEHM-HNNXBMFYSA-N 2 0 336.484 1.027 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000997060489 703305435 /nfs/dbraw/zinc/30/54/35/703305435.db2.gz GYRUZVUQPLYLJF-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085686 703331127 /nfs/dbraw/zinc/33/11/27/703331127.db2.gz SREJBWRNIBSLFH-GOEBONIOSA-N 2 0 349.504 1.636 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997093463 703340670 /nfs/dbraw/zinc/34/06/70/703340670.db2.gz OCRIPXDFGGMERE-DLBZAZTESA-N 2 0 345.491 1.518 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCOC)CC1 ZINC000997119407 703376144 /nfs/dbraw/zinc/37/61/44/703376144.db2.gz IHVOQNLWLUSTAZ-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)CC[N@@H+]1C ZINC001032411671 703446869 /nfs/dbraw/zinc/44/68/69/703446869.db2.gz UYNKGAHBQVTHBD-UQOMUDLDSA-N 2 0 327.419 1.657 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997184117 703469654 /nfs/dbraw/zinc/46/96/54/703469654.db2.gz MQTDBYCNQXJWOA-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1ncccn1 ZINC000997190163 703472356 /nfs/dbraw/zinc/47/23/56/703472356.db2.gz XAQSVHDLLKYCFY-AWEZNQCLSA-N 2 0 329.448 1.214 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1)COCC2 ZINC000921548299 703477484 /nfs/dbraw/zinc/47/74/84/703477484.db2.gz UNUOXZFBDXCICM-UHFFFAOYSA-N 2 0 344.459 1.723 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997302462 703545276 /nfs/dbraw/zinc/54/52/76/703545276.db2.gz IVYKMXIHABSYAL-SJLPKXTDSA-N 2 0 331.460 1.252 20 0 EDADRP CC(C)c1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997296759 703555433 /nfs/dbraw/zinc/55/54/33/703555433.db2.gz BSMSOUVIHVJVMK-AWEZNQCLSA-N 2 0 334.464 1.830 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@@H](O)C3CCCCC3)CC2)C1 ZINC000997299525 703556972 /nfs/dbraw/zinc/55/69/72/703556972.db2.gz OWWKQFIGPAQKHF-SJLPKXTDSA-N 2 0 337.508 1.460 20 0 EDADRP CCCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997299904 703557057 /nfs/dbraw/zinc/55/70/57/703557057.db2.gz RAWHTRLOYMTFOC-HNNXBMFYSA-N 2 0 348.495 1.029 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000997366142 703599789 /nfs/dbraw/zinc/59/97/89/703599789.db2.gz YTUMVFKLNCIDMO-UHFFFAOYSA-N 2 0 333.480 1.377 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000997366464 703600527 /nfs/dbraw/zinc/60/05/27/703600527.db2.gz BGGBKNHMYRYZRB-SFHVURJKSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000997368647 703607558 /nfs/dbraw/zinc/60/75/58/703607558.db2.gz RXLOCNKBAQSLOY-UHFFFAOYSA-N 2 0 334.468 1.070 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1([NH+](C)C)CCC1)C1CCC1 ZINC001032444048 703621194 /nfs/dbraw/zinc/62/11/94/703621194.db2.gz IHYQEGWAWXHKBL-ULQDDVLXSA-N 2 0 335.492 1.571 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032459411 703639098 /nfs/dbraw/zinc/63/90/98/703639098.db2.gz BILKGPVMGXAQLJ-XSLAGTTESA-N 2 0 337.508 1.673 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997389338 703657355 /nfs/dbraw/zinc/65/73/55/703657355.db2.gz FYUBTCWZTYJEQT-OAHLLOKOSA-N 2 0 345.491 1.233 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ncn1 ZINC000997419686 703670043 /nfs/dbraw/zinc/67/00/43/703670043.db2.gz BTHRWMJXWFNIGQ-WBVHZDCISA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997420340 703670136 /nfs/dbraw/zinc/67/01/36/703670136.db2.gz HJTOKPFKFGUREI-QAPCUYQASA-N 2 0 347.507 1.131 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032522891 703971247 /nfs/dbraw/zinc/97/12/47/703971247.db2.gz TYTSMYNDFCNYGI-ROUUACIJSA-N 2 0 340.427 1.660 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995555500 703975256 /nfs/dbraw/zinc/97/52/56/703975256.db2.gz ZJAMWONSOFRLQH-SJORKVTESA-N 2 0 330.476 1.811 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033074905 704114721 /nfs/dbraw/zinc/11/47/21/704114721.db2.gz BVEJUXABPDYFHM-QGZVFWFLSA-N 2 0 347.507 1.680 20 0 EDADRP CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033090091 704171927 /nfs/dbraw/zinc/17/19/27/704171927.db2.gz FKOIXFPZLHWXNC-KSZLIROESA-N 2 0 337.508 1.676 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3ccccn3)C2)CC[N@@H+]1C ZINC001033096209 704184057 /nfs/dbraw/zinc/18/40/57/704184057.db2.gz KZULQOYOMGVHCG-OKZBNKHCSA-N 2 0 330.476 1.845 20 0 EDADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597792 704294706 /nfs/dbraw/zinc/29/47/06/704294706.db2.gz KLCDRZOJHWYSIC-HCXYKTFWSA-N 2 0 349.519 1.820 20 0 EDADRP CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1 ZINC000946598063 704309207 /nfs/dbraw/zinc/30/92/07/704309207.db2.gz WLSBRVWMYPEVSX-IYBDPMFKSA-N 2 0 333.480 1.249 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H]2CCC[NH+]2CCO)CC1 ZINC001004446406 704429437 /nfs/dbraw/zinc/42/94/37/704429437.db2.gz LCPOZFFOZBJZOH-ROUUACIJSA-N 2 0 337.508 1.556 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1)C1CC1 ZINC001004457349 704450681 /nfs/dbraw/zinc/45/06/81/704450681.db2.gz KEIQMLWSHLGHME-MSOLQXFVSA-N 2 0 337.508 1.412 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997784156 704687918 /nfs/dbraw/zinc/68/79/18/704687918.db2.gz BWFYSELAHQFSGM-RHSMWYFYSA-N 2 0 348.491 1.905 20 0 EDADRP O=C(CCn1ccnc1)N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1 ZINC001032551478 704691697 /nfs/dbraw/zinc/69/16/97/704691697.db2.gz UEOAYOZPTIGDPZ-OKZBNKHCSA-N 2 0 346.475 1.500 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997819912 704740962 /nfs/dbraw/zinc/74/09/62/704740962.db2.gz FDQQPBHSMLKWES-MRXNPFEDSA-N 2 0 335.452 1.272 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nc1 ZINC000997830636 704747232 /nfs/dbraw/zinc/74/72/32/704747232.db2.gz KWMPLBLVBUSNFQ-GOSISDBHSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CC[NH+](CCO)CC1 ZINC000997829441 704748139 /nfs/dbraw/zinc/74/81/39/704748139.db2.gz QJWMAGTWDAOPOY-HNNXBMFYSA-N 2 0 337.508 1.317 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997840147 704756339 /nfs/dbraw/zinc/75/63/39/704756339.db2.gz MSBWQZLCPTZNFI-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840493 704756752 /nfs/dbraw/zinc/75/67/52/704756752.db2.gz NUQBCDMXYSKRIY-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997864468 704770878 /nfs/dbraw/zinc/77/08/78/704770878.db2.gz JDOWKEDVITTXRB-INIZCTEOSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1cnccn1 ZINC000997865273 704772546 /nfs/dbraw/zinc/77/25/46/704772546.db2.gz NBOUNSSFAVNPGI-YJBOKZPZSA-N 2 0 345.491 1.850 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997865205 704772553 /nfs/dbraw/zinc/77/25/53/704772553.db2.gz MHTVUDGOILCUQG-INIZCTEOSA-N 2 0 334.464 1.796 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997865440 704772630 /nfs/dbraw/zinc/77/26/30/704772630.db2.gz OWPAKLAZDXLJRC-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)(C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000997956771 705086905 /nfs/dbraw/zinc/08/69/05/705086905.db2.gz QDENUZFLBVYFDN-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998032220 705217302 /nfs/dbraw/zinc/21/73/02/705217302.db2.gz QPECSTFBKFQCTF-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000998041004 705230159 /nfs/dbraw/zinc/23/01/59/705230159.db2.gz YIHTWCBFPPEASK-MRXNPFEDSA-N 2 0 337.468 1.292 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000998046985 705243101 /nfs/dbraw/zinc/24/31/01/705243101.db2.gz LQKQZWAMZSFBLV-GOSISDBHSA-N 2 0 347.507 1.699 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000998081283 705301971 /nfs/dbraw/zinc/30/19/71/705301971.db2.gz IDDYBFOQRILBSD-OAHLLOKOSA-N 2 0 345.491 1.455 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998081680 705302848 /nfs/dbraw/zinc/30/28/48/705302848.db2.gz LVNBQWNBAGANKJ-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000998136847 705402162 /nfs/dbraw/zinc/40/21/62/705402162.db2.gz QPFGYEDFPUWIMH-UHFFFAOYSA-N 2 0 349.479 1.438 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)C1 ZINC000998216761 705538758 /nfs/dbraw/zinc/53/87/58/705538758.db2.gz KMVKKWJEJVOFRQ-SFHVURJKSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000998216773 705539373 /nfs/dbraw/zinc/53/93/73/705539373.db2.gz KPSKZGQBZUPUPL-WBVHZDCISA-N 2 0 345.491 1.708 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H](O)C1CCCCC1)[NH+](C)C ZINC001032634666 705906852 /nfs/dbraw/zinc/90/68/52/705906852.db2.gz QEFAMVRMRGHMLW-XLAORIBOSA-N 2 0 337.508 1.553 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998548398 705983868 /nfs/dbraw/zinc/98/38/68/705983868.db2.gz HNPWKIKUIPRPER-RUXDESIVSA-N 2 0 348.495 1.275 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000998780224 706221211 /nfs/dbraw/zinc/22/12/11/706221211.db2.gz KTQLTJRSOFKCHJ-VMBOVVBDSA-N 2 0 332.448 1.404 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C1CC([NH2+]CC2CC2)C1 ZINC000998898474 706326074 /nfs/dbraw/zinc/32/60/74/706326074.db2.gz LLHAOSDNEYWMCN-VJFUWPCTSA-N 2 0 335.492 1.619 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000998994855 706412373 /nfs/dbraw/zinc/41/23/73/706412373.db2.gz LMVRZRSFSDJJMU-YMAMQOFZSA-N 2 0 346.479 1.245 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999339926 706831530 /nfs/dbraw/zinc/83/15/30/706831530.db2.gz RKBGUOARBHPHSR-UHFFFAOYSA-N 2 0 348.491 1.966 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CC(C)(C)CO2)C1)C1CCC1 ZINC000999373579 706868334 /nfs/dbraw/zinc/86/83/34/706868334.db2.gz GTBVZKDCJHOKFT-WBVHZDCISA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999376374 706870850 /nfs/dbraw/zinc/87/08/50/706870850.db2.gz WBEBXYROGXAZIP-DLBZAZTESA-N 2 0 331.464 1.206 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC000999364339 706878148 /nfs/dbraw/zinc/87/81/48/706878148.db2.gz MJYHUVQZSRKTDY-INIZCTEOSA-N 2 0 334.439 1.786 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999402692 706910971 /nfs/dbraw/zinc/91/09/71/706910971.db2.gz JAWFLMBNAPHSSE-OOHWJJMZSA-N 2 0 346.475 1.511 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccccn2)C1 ZINC000999403090 706911476 /nfs/dbraw/zinc/91/14/76/706911476.db2.gz NFEJYVIAZZIKKH-UHFFFAOYSA-N 2 0 330.476 1.893 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999403684 706912737 /nfs/dbraw/zinc/91/27/37/706912737.db2.gz XRRUFSMSOXIOTF-HZPDHXFCSA-N 2 0 333.480 1.375 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@@H]2C)C1 ZINC000999404800 706913740 /nfs/dbraw/zinc/91/37/40/706913740.db2.gz CKTAPJNLVIYQJG-JEYLPNPQSA-N 2 0 334.464 1.800 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)on1 ZINC000999405760 706915238 /nfs/dbraw/zinc/91/52/38/706915238.db2.gz HKFSDVUWEATKBG-HSBZDZAISA-N 2 0 336.436 1.247 20 0 EDADRP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000999467581 706975702 /nfs/dbraw/zinc/97/57/02/706975702.db2.gz BZKFDFHPRUVNPP-UHFFFAOYSA-N 2 0 331.420 1.843 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999505476 707002707 /nfs/dbraw/zinc/00/27/07/707002707.db2.gz JOJKPMWNQGMDET-JCYILVPMSA-N 2 0 347.507 1.762 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999507381 707004848 /nfs/dbraw/zinc/00/48/48/707004848.db2.gz YTMDEZTZXLTWGJ-PREGVCBESA-N 2 0 348.495 1.157 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC[C@@H]2C1 ZINC000946697757 707154973 /nfs/dbraw/zinc/15/49/73/707154973.db2.gz XZCUZABCQSUKMU-YSHGAJCASA-N 2 0 349.519 1.412 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2cncs2)C1 ZINC000999698912 707226222 /nfs/dbraw/zinc/22/62/22/707226222.db2.gz NFEUNOPDHYOCMZ-UHFFFAOYSA-N 2 0 345.472 1.997 20 0 EDADRP C[C@@H](C[NH2+]Cc1c(Cl)n[nH]c1C1CC1)CN1CC[NH+](C)CC1 ZINC000921686762 707361698 /nfs/dbraw/zinc/36/16/98/707361698.db2.gz XNNBWRSHMMQEQV-LBPRGKRZSA-N 2 0 325.888 1.914 20 0 EDADRP COc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999831896 707462131 /nfs/dbraw/zinc/46/21/31/707462131.db2.gz NGTZWPRQCPVCDH-NVPAJSRCSA-N 2 0 349.450 1.865 20 0 EDADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](Cc4cnon4)C[C@H]3CC2)CC1 ZINC000946758100 707560426 /nfs/dbraw/zinc/56/04/26/707560426.db2.gz BBSCMNORKIACMA-IYBDPMFKSA-N 2 0 347.463 1.082 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCc3ccnn3C)C2)CC[N@@H+]1C ZINC001033358892 707683669 /nfs/dbraw/zinc/68/36/69/707683669.db2.gz RGHSQCNXBDUUNZ-BQFCYCMXSA-N 2 0 347.507 1.226 20 0 EDADRP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033417908 707801350 /nfs/dbraw/zinc/80/13/50/707801350.db2.gz XPBBJQMOWHUVSH-QAPCUYQASA-N 2 0 330.476 1.907 20 0 EDADRP Cc1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)on1 ZINC001004994116 707878915 /nfs/dbraw/zinc/87/89/15/707878915.db2.gz UIJSLIWYFFABJP-WBVHZDCISA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc(OC)ccn2)C1)[NH+](C)C ZINC001000225596 707887944 /nfs/dbraw/zinc/88/79/44/707887944.db2.gz LFCXCIGCFZLIAB-PBHICJAKSA-N 2 0 334.464 1.511 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3nc(Br)c[nH]3)C2)CC1 ZINC000921734679 707924903 /nfs/dbraw/zinc/92/49/03/707924903.db2.gz XFSAGVBGUCIQAM-LLVKDONJSA-N 2 0 342.285 1.430 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033474046 707962733 /nfs/dbraw/zinc/96/27/33/707962733.db2.gz FCTAIAQRLPVSOU-SFHVURJKSA-N 2 0 347.507 1.493 20 0 EDADRP Cc1nocc1CN1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801444 708082893 /nfs/dbraw/zinc/08/28/93/708082893.db2.gz WQHVDYLRKGAPHX-IRXDYDNUSA-N 2 0 332.448 1.644 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001001751919 708274216 /nfs/dbraw/zinc/27/42/16/708274216.db2.gz ORWVGBYGIBFZAY-WMZOPIPTSA-N 2 0 339.524 1.972 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033591336 708288997 /nfs/dbraw/zinc/28/89/97/708288997.db2.gz AWFGDOUTWKCKPH-IRXDYDNUSA-N 2 0 335.492 1.432 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033592890 708292155 /nfs/dbraw/zinc/29/21/55/708292155.db2.gz JAIRJVIOPXJDAM-KRWDZBQOSA-N 2 0 343.471 1.694 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC001001795414 708310131 /nfs/dbraw/zinc/31/01/31/708310131.db2.gz QTARCODVPIPMLK-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1CC[NH+](CCOC2CCC2)CC1 ZINC001001833417 708359384 /nfs/dbraw/zinc/35/93/84/708359384.db2.gz MAULWTDXWRXOCP-YJBOKZPZSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nsc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033665814 708449752 /nfs/dbraw/zinc/44/97/52/708449752.db2.gz RRKIDQSSRBYWTP-LSDHHAIUSA-N 2 0 336.505 1.744 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033684062 708496312 /nfs/dbraw/zinc/49/63/12/708496312.db2.gz CGQSRIDFXIWWBD-QZTJIDSGSA-N 2 0 347.507 1.370 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001002128813 708645524 /nfs/dbraw/zinc/64/55/24/708645524.db2.gz ZQFFZIUYVJJVFW-ZWKOTPCHSA-N 2 0 337.508 1.583 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(Cc2cncs2)C1 ZINC001033830312 708851791 /nfs/dbraw/zinc/85/17/91/708851791.db2.gz HDTFWKOMPCPCJX-NVXWUHKLSA-N 2 0 348.516 1.908 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CN(C)CCO3)CC2)cc1C ZINC001002537364 709094260 /nfs/dbraw/zinc/09/42/60/709094260.db2.gz WMCSFAMFCYTFBE-LJQANCHMSA-N 2 0 345.487 1.715 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005474215 709110275 /nfs/dbraw/zinc/11/02/75/709110275.db2.gz AKXMDBGIAKEDAX-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC001005474329 709110486 /nfs/dbraw/zinc/11/04/86/709110486.db2.gz BSFSYZKZCLVWPR-SFHVURJKSA-N 2 0 347.507 1.680 20 0 EDADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+](CCCO)C1 ZINC001034014282 709224128 /nfs/dbraw/zinc/22/41/28/709224128.db2.gz AQOTVEMTBQCUGB-SFHVURJKSA-N 2 0 337.508 1.414 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034014745 709230487 /nfs/dbraw/zinc/23/04/87/709230487.db2.gz CROSYCVQEOUXNH-ZWKOTPCHSA-N 2 0 349.519 1.822 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002831527 709442398 /nfs/dbraw/zinc/44/23/98/709442398.db2.gz GVWLQQJDUQEAPT-ZWKOTPCHSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002832314 709443386 /nfs/dbraw/zinc/44/33/86/709443386.db2.gz LVNBDXLGWJHJCQ-CRAIPNDOSA-N 2 0 335.492 1.335 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC[C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001032830288 709466940 /nfs/dbraw/zinc/46/69/40/709466940.db2.gz PSIKCMZBYFKKCQ-XSLAGTTESA-N 2 0 337.508 1.724 20 0 EDADRP CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034208258 709556925 /nfs/dbraw/zinc/55/69/25/709556925.db2.gz AHTKJQBUXOXHFW-KURKYZTESA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCC[N@H+](CCCF)C2)n1 ZINC001034210519 709561182 /nfs/dbraw/zinc/56/11/82/709561182.db2.gz PRWJLQGTOGWSIF-HNNXBMFYSA-N 2 0 339.459 1.389 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001034218037 709574111 /nfs/dbraw/zinc/57/41/11/709574111.db2.gz YBRHDHYFPZWSNQ-OKZBNKHCSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCc3cnn(C)c3)C2)C1 ZINC001034394149 709930209 /nfs/dbraw/zinc/93/02/09/709930209.db2.gz JRIPZQIIOPYQFB-FUHWJXTLSA-N 2 0 347.507 1.275 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCCN(Cc3cnn(C)c3)C2)CC1 ZINC001034454491 710063295 /nfs/dbraw/zinc/06/32/95/710063295.db2.gz LUKDSSFYXJVGHF-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034489656 710107679 /nfs/dbraw/zinc/10/76/79/710107679.db2.gz HQSDNLXGRPNTKP-IRXDYDNUSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nccnc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034489662 710107697 /nfs/dbraw/zinc/10/76/97/710107697.db2.gz HQSDNLXGRPNTKP-SJORKVTESA-N 2 0 345.491 1.598 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034610786 710284847 /nfs/dbraw/zinc/28/48/47/710284847.db2.gz FBMUZWNPMITSJM-ULQDDVLXSA-N 2 0 346.475 1.701 20 0 EDADRP Cc1noc([C@@H](C)N[C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034648978 710325533 /nfs/dbraw/zinc/32/55/33/710325533.db2.gz ZBDGXWXTRGGROL-CCECPURYSA-N 2 0 349.479 1.796 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628670 710458530 /nfs/dbraw/zinc/45/85/30/710458530.db2.gz SNWIOTMJFUJEQE-RDTXWAMCSA-N 2 0 343.487 1.814 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001003631134 710460249 /nfs/dbraw/zinc/46/02/49/710460249.db2.gz RKFLATWWRKMINZ-IAGOWNOFSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633235 710461227 /nfs/dbraw/zinc/46/12/27/710461227.db2.gz CRNVLZIQXFEYMC-KDOFPFPSSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633761 710462022 /nfs/dbraw/zinc/46/20/22/710462022.db2.gz HRQRJXUXTBPABT-CXAGYDPISA-N 2 0 333.480 1.007 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003739400 710519768 /nfs/dbraw/zinc/51/97/68/710519768.db2.gz CQSRTSJFSWNJSY-WBVHZDCISA-N 2 0 325.497 1.865 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003800425 710568129 /nfs/dbraw/zinc/56/81/29/710568129.db2.gz UWCRGBWFKGDTDV-OAHLLOKOSA-N 2 0 333.476 1.977 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034659703 710589070 /nfs/dbraw/zinc/58/90/70/710589070.db2.gz YBNJKBLENMHFPU-BQFCYCMXSA-N 2 0 347.507 1.812 20 0 EDADRP Cc1oncc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005591912 710650001 /nfs/dbraw/zinc/65/00/01/710650001.db2.gz JFNAFEVVIGHGRV-KRWDZBQOSA-N 2 0 334.464 1.890 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734278 710915341 /nfs/dbraw/zinc/91/53/41/710915341.db2.gz LZFKQBJHHXXZTP-KBRIMQKVSA-N 2 0 334.464 1.842 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC001034735013 710919052 /nfs/dbraw/zinc/91/90/52/710919052.db2.gz DDWVIICVOXBGRC-ZTFGCOKTSA-N 2 0 345.491 1.786 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001034735880 710921950 /nfs/dbraw/zinc/92/19/50/710921950.db2.gz OYMRWMLOYIKXTQ-ATZDWAIDSA-N 2 0 347.503 1.802 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737555 710950376 /nfs/dbraw/zinc/95/03/76/710950376.db2.gz MLIZVWQDHSIZRF-IXYNUQLISA-N 2 0 336.505 1.858 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC001034737794 710950990 /nfs/dbraw/zinc/95/09/90/710950990.db2.gz MVXPDLFBIJQLSH-IIVZCXTMSA-N 2 0 347.507 1.443 20 0 EDADRP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC001034738185 710952777 /nfs/dbraw/zinc/95/27/77/710952777.db2.gz QSXPTEPFLQJDMS-KCYZZUKISA-N 2 0 348.491 1.952 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738589 710954465 /nfs/dbraw/zinc/95/44/65/710954465.db2.gz ULEGIPCXSWYNRA-KBUPBQIOSA-N 2 0 336.505 1.858 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)C(N)=O)CC1 ZINC001034749247 710956598 /nfs/dbraw/zinc/95/65/98/710956598.db2.gz IXWXCPKXPPZOBU-VGWMRTNUSA-N 2 0 338.496 1.140 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034779087 711083113 /nfs/dbraw/zinc/08/31/13/711083113.db2.gz OVOFERDPNLJMOG-BZUAXINKSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003966430 711103902 /nfs/dbraw/zinc/10/39/02/711103902.db2.gz BNPSJWBVYJQTFR-INIZCTEOSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794480 711110875 /nfs/dbraw/zinc/11/08/75/711110875.db2.gz KKKYZMKGYRMKGK-QAQDUYKDSA-N 2 0 333.480 1.341 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1)C(N)=O ZINC001034796239 711116279 /nfs/dbraw/zinc/11/62/79/711116279.db2.gz GMFUKDMWDYXKAX-KBRIMQKVSA-N 2 0 346.475 1.253 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034797136 711130607 /nfs/dbraw/zinc/13/06/07/711130607.db2.gz WTNXIJHONNRMSA-XSLAGTTESA-N 2 0 347.507 1.773 20 0 EDADRP CN(C)c1ccccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034881286 711281589 /nfs/dbraw/zinc/28/15/89/711281589.db2.gz GQFFYVPFIWKWKT-IEBWSBKVSA-N 2 0 344.503 1.927 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034934879 711361656 /nfs/dbraw/zinc/36/16/56/711361656.db2.gz XMFVFQXVRFKRSN-AEFFLSMTSA-N 2 0 345.491 1.738 20 0 EDADRP CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)n1 ZINC001034959523 711432216 /nfs/dbraw/zinc/43/22/16/711432216.db2.gz ABBZBPZKMNHSTP-QZTJIDSGSA-N 2 0 347.507 1.885 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncc(F)c2)CC[N@@H+]1C ZINC001034939642 711442328 /nfs/dbraw/zinc/44/23/28/711442328.db2.gz IWKVJJZPKHBZPP-KBRIMQKVSA-N 2 0 334.439 1.642 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@H](O)Cc3ccccc3)CC2)C1 ZINC001004143756 711544306 /nfs/dbraw/zinc/54/43/06/711544306.db2.gz ORXIGJZYWPMJLV-PKOBYXMFSA-N 2 0 345.487 1.122 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147484 711559380 /nfs/dbraw/zinc/55/93/80/711559380.db2.gz IXOODDRCKBMKQH-UHFFFAOYSA-N 2 0 347.507 1.949 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546062 711957043 /nfs/dbraw/zinc/95/70/43/711957043.db2.gz FWSNAXANPNDHHI-AEFFLSMTSA-N 2 0 337.508 1.820 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608417 712061119 /nfs/dbraw/zinc/06/11/19/712061119.db2.gz ZJJCNXKSXLJXLD-WMZOPIPTSA-N 2 0 349.519 1.820 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1 ZINC001004617055 712076791 /nfs/dbraw/zinc/07/67/91/712076791.db2.gz OCBNOZPPYMGJDA-KRWDZBQOSA-N 2 0 347.463 1.368 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000173812370 231041422 /nfs/dbraw/zinc/04/14/22/231041422.db2.gz IZFYNYMAGBJKPV-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000173924168 231071482 /nfs/dbraw/zinc/07/14/82/231071482.db2.gz KTSOYNBVTRTHHV-UHFFFAOYSA-N 2 0 334.468 1.537 20 0 EDADRP CN(c1ccccc1C[NH2+]CCNC(=O)C1CC1)C1CC[NH+](C)CC1 ZINC000132737568 530037258 /nfs/dbraw/zinc/03/72/58/530037258.db2.gz IVZBNIWKJPDVQS-UHFFFAOYSA-N 2 0 344.503 1.833 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CCN2CC[NH+](CC)CC2)c1 ZINC000101652927 219152358 /nfs/dbraw/zinc/15/23/58/219152358.db2.gz RMZNTFBORMOBQS-UHFFFAOYSA-N 2 0 346.519 1.782 20 0 EDADRP CC[C@H](C(=O)N1CCN(c2ncc[nH]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000560418577 306268001 /nfs/dbraw/zinc/26/80/01/306268001.db2.gz YWLQVPURNXXTPB-QGZVFWFLSA-N 2 0 341.459 1.969 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066317 539700024 /nfs/dbraw/zinc/70/00/24/539700024.db2.gz HHEFJWJAMPHYRW-MOPGFXCFSA-N 2 0 343.519 1.940 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000339344995 539707666 /nfs/dbraw/zinc/70/76/66/539707666.db2.gz FDKQMSRZQLSLPS-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000372901829 295802747 /nfs/dbraw/zinc/80/27/47/295802747.db2.gz JNIRSPXEZUREMJ-CZUORRHYSA-N 2 0 343.406 1.070 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)CC1 ZINC000342975730 539767969 /nfs/dbraw/zinc/76/79/69/539767969.db2.gz JMTFINSLMQGZSC-HNNXBMFYSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000342980002 539769605 /nfs/dbraw/zinc/76/96/05/539769605.db2.gz WIWDNMMZNSVFCE-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000342993908 539773124 /nfs/dbraw/zinc/77/31/24/539773124.db2.gz UIDKOQNVRYKJFM-JYJNAYRXSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000562707365 306306496 /nfs/dbraw/zinc/30/64/96/306306496.db2.gz LQRQAQAVFVODCG-CGTJXYLNSA-N 2 0 337.508 1.769 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000346387024 535206962 /nfs/dbraw/zinc/20/69/62/535206962.db2.gz ZFIKUKHMTZVQDS-BRWVUGGUSA-N 2 0 341.496 1.101 20 0 EDADRP CCc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc(C)n1 ZINC000359727601 539993509 /nfs/dbraw/zinc/99/35/09/539993509.db2.gz IGMGNZVYXWDQNK-UHFFFAOYSA-N 2 0 340.475 1.789 20 0 EDADRP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000159044530 540003272 /nfs/dbraw/zinc/00/32/72/540003272.db2.gz KBCAJSDIOYOEHV-HNNXBMFYSA-N 2 0 344.463 1.814 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000562998432 306315150 /nfs/dbraw/zinc/31/51/50/306315150.db2.gz IPRUNSOHXFCGOW-AQNXPRMDSA-N 2 0 331.504 1.768 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCOc3c(F)cccc32)CC1 ZINC000563013701 306315941 /nfs/dbraw/zinc/31/59/41/306315941.db2.gz LGOPWCJWLUGBDK-WMLDXEAASA-N 2 0 337.439 1.237 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CCCC3(C)C)cn2)CC1 ZINC000563211165 306323729 /nfs/dbraw/zinc/32/37/29/306323729.db2.gz NIMCCHGUIBQSCZ-QGZVFWFLSA-N 2 0 345.491 1.228 20 0 EDADRP CC(C)(O)[C@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@@H]2C(C)(C)O)COC1 ZINC000182355642 540132015 /nfs/dbraw/zinc/13/20/15/540132015.db2.gz DBNHFLRNNVGKDA-HZPDHXFCSA-N 2 0 340.508 1.474 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[C@@H]1c1cccs1 ZINC000374591683 283114268 /nfs/dbraw/zinc/11/42/68/283114268.db2.gz HKUFPNRLHMDALM-FVQBIDKESA-N 2 0 337.489 1.611 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648962 283162235 /nfs/dbraw/zinc/16/22/35/283162235.db2.gz OYKBIMIKUGZTPX-AEFFLSMTSA-N 2 0 334.508 1.987 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000563582878 306339835 /nfs/dbraw/zinc/33/98/35/306339835.db2.gz KGYLOSJPCNRQNW-HNNXBMFYSA-N 2 0 325.416 1.706 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000563590396 306340376 /nfs/dbraw/zinc/34/03/76/306340376.db2.gz DOEBWCTUNOECLR-IRXDYDNUSA-N 2 0 332.448 1.020 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000563586533 306340166 /nfs/dbraw/zinc/34/01/66/306340166.db2.gz QCIZBDLBJRZLIR-JKSUJKDBSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000563595109 306340684 /nfs/dbraw/zinc/34/06/84/306340684.db2.gz RPOQRNOELILMIC-QZTJIDSGSA-N 2 0 346.475 1.410 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000126159774 138337405 /nfs/dbraw/zinc/33/74/05/138337405.db2.gz DZNIXURGDQDAAC-KXBFYZLASA-N 2 0 345.487 1.816 20 0 EDADRP CCN(C)C(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000130297647 138340711 /nfs/dbraw/zinc/34/07/11/138340711.db2.gz ASXCWIFKMNQHKA-HZPDHXFCSA-N 2 0 325.497 1.676 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000132354972 138375186 /nfs/dbraw/zinc/37/51/86/138375186.db2.gz LOIIIUYROUWJOT-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000132353587 138375398 /nfs/dbraw/zinc/37/53/98/138375398.db2.gz CMPHROBTORCCEC-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)C1 ZINC000563620857 306342535 /nfs/dbraw/zinc/34/25/35/306342535.db2.gz PFPAGKKLXWAQKW-CVEARBPZSA-N 2 0 327.513 1.970 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[NH2+][C@@H]3C)CC2)c1 ZINC000563621124 306342609 /nfs/dbraw/zinc/34/26/09/306342609.db2.gz UAKADQMCYQHYEG-IEBWSBKVSA-N 2 0 344.503 1.621 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000133580008 138395843 /nfs/dbraw/zinc/39/58/43/138395843.db2.gz YOBJCFPJSFOHRG-IRXDYDNUSA-N 2 0 332.496 1.061 20 0 EDADRP COc1ccc([C@H]2[C@H](CNC(=O)NCC[NH+](C)C)CCC[N@@H+]2C)cc1 ZINC000133694243 138397164 /nfs/dbraw/zinc/39/71/64/138397164.db2.gz OIPOAJPDIFXXFR-WMZOPIPTSA-N 2 0 348.491 1.939 20 0 EDADRP CN1CCN(C(=O)NCCc2ccccc2C(F)(F)F)[C@H](C[NH3+])C1 ZINC000563798314 306347364 /nfs/dbraw/zinc/34/73/64/306347364.db2.gz WASHVYAOFTYMPK-CYBMUJFWSA-N 2 0 344.381 1.532 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000106382983 219634573 /nfs/dbraw/zinc/63/45/73/219634573.db2.gz SMJNXMJMUWDVSN-ZIFCJYIRSA-N 2 0 339.524 1.264 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CCCC1 ZINC000564062754 306354570 /nfs/dbraw/zinc/35/45/70/306354570.db2.gz JGXYROXBYRUZJS-GOSISDBHSA-N 2 0 345.491 1.863 20 0 EDADRP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000564724135 306363932 /nfs/dbraw/zinc/36/39/32/306363932.db2.gz VBEURQWZEZQYJY-MJGOQNOKSA-N 2 0 349.519 1.462 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000564844557 306366735 /nfs/dbraw/zinc/36/67/35/306366735.db2.gz MLMMVVWDZHPUCR-KRWDZBQOSA-N 2 0 328.497 1.645 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000564939105 306370457 /nfs/dbraw/zinc/37/04/57/306370457.db2.gz YXCWOUMATWQWSP-CVEARBPZSA-N 2 0 339.528 1.171 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000564949335 306371129 /nfs/dbraw/zinc/37/11/29/306371129.db2.gz GMYXAUBJDCRGAW-IPMKNSEASA-N 2 0 345.487 1.733 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000564953101 306371285 /nfs/dbraw/zinc/37/12/85/306371285.db2.gz SHMBSJDAYLHQOZ-AEGPPILISA-N 2 0 343.406 1.193 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000565301848 306381275 /nfs/dbraw/zinc/38/12/75/306381275.db2.gz URMOKJIBSMMZEO-LSDHHAIUSA-N 2 0 331.460 1.937 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000414065655 304099604 /nfs/dbraw/zinc/09/96/04/304099604.db2.gz OSWINZLUNINBCL-WMZOPIPTSA-N 2 0 334.508 1.883 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000130859497 223181795 /nfs/dbraw/zinc/18/17/95/223181795.db2.gz QITITWXJLHCROB-QGZVFWFLSA-N 2 0 333.501 1.816 20 0 EDADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000414197716 304105068 /nfs/dbraw/zinc/10/50/68/304105068.db2.gz PVNATNHZHKMKEM-GOSISDBHSA-N 2 0 332.492 1.919 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)Cc2ccccc2)CC1 ZINC000565887667 306393939 /nfs/dbraw/zinc/39/39/39/306393939.db2.gz ZZRQFPKSHGCJAA-LJQANCHMSA-N 2 0 340.471 1.527 20 0 EDADRP CC[C@@H]1C[C@H](C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCO1 ZINC000414480672 304117893 /nfs/dbraw/zinc/11/78/93/304117893.db2.gz JGZQLXKJNWWVQN-QZTJIDSGSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000566237355 306405460 /nfs/dbraw/zinc/40/54/60/306405460.db2.gz RGSABVUUMDGZMQ-HUUCEWRRSA-N 2 0 346.475 1.009 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C12CCC[NH+]1CCC2 ZINC000366005030 283933932 /nfs/dbraw/zinc/93/39/32/283933932.db2.gz OOYYKMQFCBKFIJ-IAGOWNOFSA-N 2 0 335.492 1.499 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000414725744 304133500 /nfs/dbraw/zinc/13/35/00/304133500.db2.gz JELBJGCPZVDLKQ-QAPCUYQASA-N 2 0 345.491 1.996 20 0 EDADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750094 304137082 /nfs/dbraw/zinc/13/70/82/304137082.db2.gz ZIVOCFIGXYTDME-QZTJIDSGSA-N 2 0 344.503 1.785 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000414749801 304137194 /nfs/dbraw/zinc/13/71/94/304137194.db2.gz WPGIGYYZMZLZDL-HUUCEWRRSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000414788855 304140963 /nfs/dbraw/zinc/14/09/63/304140963.db2.gz OACSZWFBYBRQHY-LSDHHAIUSA-N 2 0 346.475 1.881 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC([NH3+])(CC)CC)CC1 ZINC000414804961 304143140 /nfs/dbraw/zinc/14/31/40/304143140.db2.gz FVAFFKYVXWCEMY-CQSZACIVSA-N 2 0 341.496 1.674 20 0 EDADRP C[C@H]([NH3+])CC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414826641 304145018 /nfs/dbraw/zinc/14/50/18/304145018.db2.gz WEJXRAACEOPOBG-AWEZNQCLSA-N 2 0 341.883 1.878 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000414831781 304145734 /nfs/dbraw/zinc/14/57/34/304145734.db2.gz NWULZTTYHBMTAQ-AWEZNQCLSA-N 2 0 335.448 1.299 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077612 304158308 /nfs/dbraw/zinc/15/83/08/304158308.db2.gz FQPRNGKIZQWXAG-PVAVHDDUSA-N 2 0 333.476 1.866 20 0 EDADRP Cc1ccsc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132110 304162603 /nfs/dbraw/zinc/16/26/03/304162603.db2.gz AEUNWTSZCYZOSW-HUUCEWRRSA-N 2 0 334.489 1.777 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000195226881 139010772 /nfs/dbraw/zinc/01/07/72/139010772.db2.gz GQNWQFZXEVWBLD-CALCHBBNSA-N 2 0 331.460 1.699 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415157693 304167318 /nfs/dbraw/zinc/16/73/18/304167318.db2.gz YGQZJIDXROHRNJ-WMLDXEAASA-N 2 0 346.475 1.533 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000236955368 139036417 /nfs/dbraw/zinc/03/64/17/139036417.db2.gz FCXLJCLUEJHOLD-FQEVSTJZSA-N 2 0 344.503 1.440 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000236988858 139037375 /nfs/dbraw/zinc/03/73/75/139037375.db2.gz NCUCQQLDLOMKOK-VQIMIIECSA-N 2 0 346.519 1.814 20 0 EDADRP CC(C)(CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C[NH+]1CCCC1 ZINC000415166532 304169295 /nfs/dbraw/zinc/16/92/95/304169295.db2.gz FLTMGCNLHJVZMY-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCN1C ZINC000415181250 304171900 /nfs/dbraw/zinc/17/19/00/304171900.db2.gz XPHCYBZKSYEWKE-QGZVFWFLSA-N 2 0 344.459 1.069 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415180105 304171966 /nfs/dbraw/zinc/17/19/66/304171966.db2.gz FFCLLLFUKPZSRG-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@H](C)O1 ZINC000237611407 139055776 /nfs/dbraw/zinc/05/57/76/139055776.db2.gz ZKHRYRJMLSBHKA-RVKKMQEKSA-N 2 0 331.460 1.316 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000237729161 139058901 /nfs/dbraw/zinc/05/89/01/139058901.db2.gz CASKOISUJAVCJQ-IRXDYDNUSA-N 2 0 330.476 1.408 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000238040135 139067320 /nfs/dbraw/zinc/06/73/20/139067320.db2.gz KRTUQCDAAJRYPX-SFHVURJKSA-N 2 0 330.476 1.063 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000415246257 304178180 /nfs/dbraw/zinc/17/81/80/304178180.db2.gz RANJCZBIXLYKDW-IBGZPJMESA-N 2 0 344.459 1.289 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000245780710 139085861 /nfs/dbraw/zinc/08/58/61/139085861.db2.gz RATARBBPOFPETK-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[NH2+]CC2)c1 ZINC000415330369 304196135 /nfs/dbraw/zinc/19/61/35/304196135.db2.gz YPWBFYBZKWJVAL-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)C(=O)Nc1ccc2c(c1)nc(C1CC1)n2C ZINC000415341335 304197757 /nfs/dbraw/zinc/19/77/57/304197757.db2.gz OQUREDNLIZNTHD-NSHDSACASA-N 2 0 341.415 1.210 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000568248701 306476911 /nfs/dbraw/zinc/47/69/11/306476911.db2.gz YBRXXZLOMLSENG-RBUKOAKNSA-N 3 0 344.503 1.743 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000248686499 139171687 /nfs/dbraw/zinc/17/16/87/139171687.db2.gz HILQHCBMKJQKDM-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1(C)C ZINC000249139559 139187422 /nfs/dbraw/zinc/18/74/22/139187422.db2.gz VMWRHJIUCDXJKK-MRRJBJDNSA-N 2 0 339.505 2.000 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000249732172 139197559 /nfs/dbraw/zinc/19/75/59/139197559.db2.gz BHAQEWOLPXRAQD-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C(=O)COC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261584743 139209346 /nfs/dbraw/zinc/20/93/46/139209346.db2.gz SOSCDNJYXMLBNO-UHFFFAOYSA-N 2 0 345.487 1.878 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000261730541 139221226 /nfs/dbraw/zinc/22/12/26/139221226.db2.gz RTZSBPBNIYUPDI-INIZCTEOSA-N 2 0 327.432 1.159 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1CC[NH+](Cc2ccccc2)CC1)C1CCOCC1 ZINC000261738131 139222106 /nfs/dbraw/zinc/22/21/06/139222106.db2.gz DFALLYXPICBNPO-LJQANCHMSA-N 2 0 345.487 1.769 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000261759848 139223664 /nfs/dbraw/zinc/22/36/64/139223664.db2.gz HWJPHWNGCGHOIL-OAHLLOKOSA-N 2 0 325.522 1.854 20 0 EDADRP CC(C)(CNC(=O)[C@@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000261772374 139224705 /nfs/dbraw/zinc/22/47/05/139224705.db2.gz MJANVEPKAYEPHP-SFHVURJKSA-N 2 0 345.487 1.693 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@@H]([NH3+])C2CCOCC2)c1 ZINC000261858814 139231995 /nfs/dbraw/zinc/23/19/95/139231995.db2.gz SCASFDZUENTOQU-KRWDZBQOSA-N 2 0 335.448 1.710 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@H]([NH3+])C3CCOCC3)cc21 ZINC000261840104 139230461 /nfs/dbraw/zinc/23/04/61/139230461.db2.gz QNPZJSOKUZCIAZ-GOSISDBHSA-N 2 0 344.459 1.895 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(F)cc1 ZINC000261895141 139234842 /nfs/dbraw/zinc/23/48/42/139234842.db2.gz VXMBSZRNDLPUOG-QLFBSQMISA-N 2 0 332.379 1.271 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@H]2C[NH3+])ccc1C[NH+](C)C ZINC000415460274 304223767 /nfs/dbraw/zinc/22/37/67/304223767.db2.gz YOUHMMGCACNUAG-XJKSGUPXSA-N 2 0 332.448 1.239 20 0 EDADRP C[N@H+](CCN1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899384 139235029 /nfs/dbraw/zinc/23/50/29/139235029.db2.gz VROSAVHTTKEOHR-FQEVSTJZSA-N 2 0 330.520 1.736 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)cc2)CC1 ZINC000261923197 139237329 /nfs/dbraw/zinc/23/73/29/139237329.db2.gz ZSGHXHWFHZQNGX-JKSUJKDBSA-N 2 0 330.476 1.638 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000414872629 250873376 /nfs/dbraw/zinc/87/33/76/250873376.db2.gz GAHLMZOSVCZPHO-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP O=C(CC[NH+]1CCC(c2nc3ccccc3[nH]2)CC1)N1CC[NH2+]CC1 ZINC000262095163 139250477 /nfs/dbraw/zinc/25/04/77/139250477.db2.gz LSDOIAZHVQUHCD-UHFFFAOYSA-N 2 0 341.459 1.564 20 0 EDADRP COC[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCOCC1 ZINC000187781284 272952900 /nfs/dbraw/zinc/95/29/00/272952900.db2.gz IEMKNCAPAWMFAD-SFHVURJKSA-N 2 0 348.491 1.365 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC3([NH3+])CCC3)ccc21 ZINC000415568680 304227288 /nfs/dbraw/zinc/22/72/88/304227288.db2.gz ZQDZSXLIYITTRM-HNNXBMFYSA-N 2 0 330.432 1.172 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262245311 139263228 /nfs/dbraw/zinc/26/32/28/139263228.db2.gz LEGCNDDGJRFTMB-UHFFFAOYSA-N 2 0 333.480 1.200 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262250157 139263654 /nfs/dbraw/zinc/26/36/54/139263654.db2.gz LOAMENCYCWWTDZ-WBVHZDCISA-N 2 0 331.460 1.694 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)c1ccccc1 ZINC000262278477 139266006 /nfs/dbraw/zinc/26/60/06/139266006.db2.gz UHQMLHYBQXPUJW-WOCWXWTJSA-N 2 0 345.487 1.938 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416795509 251109728 /nfs/dbraw/zinc/10/97/28/251109728.db2.gz UFPGIDVIRICVIQ-QZTJIDSGSA-N 2 0 342.487 1.902 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000416831324 251112056 /nfs/dbraw/zinc/11/20/56/251112056.db2.gz AXSUVXQAEUTYIM-HKUYNNGSSA-N 2 0 328.460 1.656 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000416879472 251118160 /nfs/dbraw/zinc/11/81/60/251118160.db2.gz WWPLOUSGYQAQMR-QGZVFWFLSA-N 2 0 332.448 1.152 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@H]([NH2+]C)C1)Cc1ccccc1 ZINC000417010039 251131454 /nfs/dbraw/zinc/13/14/54/251131454.db2.gz OJEKAVMLGVVUIF-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000417014686 251132448 /nfs/dbraw/zinc/13/24/48/251132448.db2.gz DULIOLRTVJDNRN-KURKYZTESA-N 2 0 328.460 1.827 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)CCO1 ZINC000262322733 139270115 /nfs/dbraw/zinc/27/01/15/139270115.db2.gz FJZJJELHSDXEGF-JTDSTZFVSA-N 2 0 335.492 1.478 20 0 EDADRP COCC1(CNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417002640 251126859 /nfs/dbraw/zinc/12/68/59/251126859.db2.gz AUAACJOAUYQUKT-HZPDHXFCSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417204233 251146933 /nfs/dbraw/zinc/14/69/33/251146933.db2.gz ZWNPTKYJQSVGGM-BZSNNMDCSA-N 2 0 330.476 1.410 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@H](CC[NH3+])C2)CC1 ZINC000417543689 251184678 /nfs/dbraw/zinc/18/46/78/251184678.db2.gz GIDZTNMHFFVVQR-OAHLLOKOSA-N 2 0 340.512 1.646 20 0 EDADRP CC[NH2+]CCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417543313 251185083 /nfs/dbraw/zinc/18/50/83/251185083.db2.gz FVAZYZXCEKYINL-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417594640 251201358 /nfs/dbraw/zinc/20/13/58/251201358.db2.gz WOIBDSKUOVBTID-LPHOPBHVSA-N 2 0 348.491 1.575 20 0 EDADRP [NH3+][C@H](CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000417595239 251202282 /nfs/dbraw/zinc/20/22/82/251202282.db2.gz NPMAEPUPXUBNRS-GOSISDBHSA-N 2 0 346.475 1.698 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417793572 251273557 /nfs/dbraw/zinc/27/35/57/251273557.db2.gz LPQADTWSQRZJEW-FGTMMUONSA-N 2 0 334.508 1.892 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N(CC[NH3+])CCO ZINC000417887610 251314319 /nfs/dbraw/zinc/31/43/19/251314319.db2.gz IGAVCCGJACDISX-VQFNDLOPSA-N 2 0 348.491 1.106 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418103029 251323077 /nfs/dbraw/zinc/32/30/77/251323077.db2.gz IFQKGJQRAFNZHM-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000417858246 251300861 /nfs/dbraw/zinc/30/08/61/251300861.db2.gz UWGBUASISZUKGB-IINYFYTJSA-N 2 0 328.254 1.867 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417860507 251302584 /nfs/dbraw/zinc/30/25/84/251302584.db2.gz YKLHXZKZJBYKSK-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)C1CC1 ZINC000418152966 251345877 /nfs/dbraw/zinc/34/58/77/251345877.db2.gz UKRMDKZBAIIVGY-QZTJIDSGSA-N 2 0 346.475 1.266 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418163478 251349906 /nfs/dbraw/zinc/34/99/06/251349906.db2.gz DLQJRYXPYWSJHF-VYDXJSESSA-N 2 0 334.464 1.355 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418199609 251356479 /nfs/dbraw/zinc/35/64/79/251356479.db2.gz XKOLEVICIBLFND-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000418201148 251357012 /nfs/dbraw/zinc/35/70/12/251357012.db2.gz ZODLMBXEHHDHTR-UHFFFAOYSA-N 2 0 347.463 1.131 20 0 EDADRP C[C@@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262533766 139284747 /nfs/dbraw/zinc/28/47/47/139284747.db2.gz OURWHNGWCWUBQN-SJORKVTESA-N 2 0 332.492 1.294 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000418306272 251358370 /nfs/dbraw/zinc/35/83/70/251358370.db2.gz AHQCXIKEDQYPPA-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1CC ZINC000418345186 251361832 /nfs/dbraw/zinc/36/18/32/251361832.db2.gz LFLURJNCDQMBCL-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418717487 251395612 /nfs/dbraw/zinc/39/56/12/251395612.db2.gz CNOFLHFVIAAAJR-CVEARBPZSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000418584055 251379259 /nfs/dbraw/zinc/37/92/59/251379259.db2.gz XEPBAGYCOBLTLY-WMLDXEAASA-N 2 0 336.455 1.897 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCC2=CC[NH2+]CC2)cc1 ZINC000418641515 251382550 /nfs/dbraw/zinc/38/25/50/251382550.db2.gz NNLWYBOFMVKFRA-GOSISDBHSA-N 2 0 346.475 1.907 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262638093 139292107 /nfs/dbraw/zinc/29/21/07/139292107.db2.gz ITJAHAIKSQDWQH-DZGCQCFKSA-N 2 0 332.448 1.178 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262642430 139292459 /nfs/dbraw/zinc/29/24/59/139292459.db2.gz JHIXDWFNPHRVBD-UHFFFAOYSA-N 2 0 325.522 1.854 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000262641861 139292587 /nfs/dbraw/zinc/29/25/87/139292587.db2.gz QQDIFIYESPNVFO-KRWDZBQOSA-N 2 0 343.475 1.435 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000422875729 252007429 /nfs/dbraw/zinc/00/74/29/252007429.db2.gz CZLFKNBXIDNYKI-KDOFPFPSSA-N 2 0 347.507 1.442 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CCOCC1 ZINC000423413563 252054133 /nfs/dbraw/zinc/05/41/33/252054133.db2.gz ZLUMYFGDBOOZNV-MRXNPFEDSA-N 2 0 333.476 1.940 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422906277 252018138 /nfs/dbraw/zinc/01/81/38/252018138.db2.gz JLCGCTCVUUZKCD-ROUUACIJSA-N 2 0 332.492 1.728 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000423781978 252070949 /nfs/dbraw/zinc/07/09/49/252070949.db2.gz LRYZGYNCVMFTCW-QGZVFWFLSA-N 2 0 325.416 1.442 20 0 EDADRP C[C@H](NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000422908676 252018633 /nfs/dbraw/zinc/01/86/33/252018633.db2.gz DOUGDDKWNPKHFV-LPHOPBHVSA-N 2 0 344.503 1.742 20 0 EDADRP C[C@H]([NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422911218 252019736 /nfs/dbraw/zinc/01/97/36/252019736.db2.gz KJEMAGVEFCHWRR-ZWKOTPCHSA-N 2 0 344.503 1.703 20 0 EDADRP COC(=O)CCN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@H](C)C1 ZINC000423859240 252093721 /nfs/dbraw/zinc/09/37/21/252093721.db2.gz GWBUVBJNTSTWEP-ZBFHGGJFSA-N 2 0 333.432 1.172 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CCCCCC1 ZINC000424140099 252139605 /nfs/dbraw/zinc/13/96/05/252139605.db2.gz SHDCAXPITTZIGH-OAHLLOKOSA-N 2 0 348.495 1.587 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000424146421 252143580 /nfs/dbraw/zinc/14/35/80/252143580.db2.gz PTLFVBGQIOHQHK-JKSUJKDBSA-N 2 0 346.479 1.007 20 0 EDADRP COC[C@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CC[NH2+]C1 ZINC000424213674 252162925 /nfs/dbraw/zinc/16/29/25/252162925.db2.gz AMFNJTSEMYSZHE-NSHGMRRFSA-N 2 0 343.471 1.345 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)c1 ZINC000424413704 252218163 /nfs/dbraw/zinc/21/81/63/252218163.db2.gz DVBYJADTULIMGW-UHFFFAOYSA-N 2 0 334.464 1.981 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC(C[NH+](C)C)CC2)c1 ZINC000424434932 252230189 /nfs/dbraw/zinc/23/01/89/252230189.db2.gz DZOSNSYJMQGFII-UHFFFAOYSA-N 2 0 332.448 1.192 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476975 252246483 /nfs/dbraw/zinc/24/64/83/252246483.db2.gz KUFIEGNUNJRTNR-DSLXNQLJSA-N 2 0 342.487 1.900 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263198759 139328009 /nfs/dbraw/zinc/32/80/09/139328009.db2.gz IUWKDGJDSANRJR-QFBILLFUSA-N 2 0 345.491 1.357 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H](CC[NH3+])C2)c1 ZINC000415670682 304252783 /nfs/dbraw/zinc/25/27/83/304252783.db2.gz BYMWCFTWKBWLCW-AWEZNQCLSA-N 2 0 332.448 1.274 20 0 EDADRP C[N@H+](CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CCCC1 ZINC000112293398 220287220 /nfs/dbraw/zinc/28/72/20/220287220.db2.gz HYOOTPANARAGFK-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000570187168 306532732 /nfs/dbraw/zinc/53/27/32/306532732.db2.gz WEVNQKBIRGNSNM-RDJZCZTQSA-N 2 0 346.475 1.965 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCC(=O)N(C)C ZINC000345222772 285243011 /nfs/dbraw/zinc/24/30/11/285243011.db2.gz MISLENMLYFPYJI-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000487173369 255028234 /nfs/dbraw/zinc/02/82/34/255028234.db2.gz UWFHGRUNLQBPDO-FUHWJXTLSA-N 2 0 337.508 1.535 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)n1nc(C)cc1C ZINC000337580098 285247670 /nfs/dbraw/zinc/24/76/70/285247670.db2.gz NCDWCWXVMPAYHQ-ZWKOTPCHSA-N 2 0 349.523 1.935 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000489987661 255075515 /nfs/dbraw/zinc/07/55/15/255075515.db2.gz SERLRIZXJJVLCK-KRWDZBQOSA-N 2 0 326.485 1.082 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493974465 255229243 /nfs/dbraw/zinc/22/92/43/255229243.db2.gz BRXMUWDHPNJJES-VVLHAWIVSA-N 2 0 335.492 1.511 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494704769 255258990 /nfs/dbraw/zinc/25/89/90/255258990.db2.gz TWFMZMAZCLUNJO-HZPDHXFCSA-N 2 0 348.491 1.901 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000495044300 255266841 /nfs/dbraw/zinc/26/68/41/255266841.db2.gz ZZXCOAIHOKGLEY-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCC(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000497224940 255478201 /nfs/dbraw/zinc/47/82/01/255478201.db2.gz DZNXONMXOHIMTF-UHFFFAOYSA-N 2 0 341.500 1.747 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCc2n[nH]cc21 ZINC000342566350 285280678 /nfs/dbraw/zinc/28/06/78/285280678.db2.gz GDCDXQZXBTZVNW-HOTGVXAUSA-N 2 0 347.507 1.704 20 0 EDADRP CCn1nccc1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000119279428 221283369 /nfs/dbraw/zinc/28/33/69/221283369.db2.gz KEVLKIAMHCDXAV-UHFFFAOYSA-N 2 0 329.448 1.484 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155007081 224341833 /nfs/dbraw/zinc/34/18/33/224341833.db2.gz LNIZTSWKADEKRD-QWHCGFSZSA-N 2 0 344.301 1.260 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)CC1 ZINC000570683656 306548539 /nfs/dbraw/zinc/54/85/39/306548539.db2.gz ACVFLAPQCVKNOU-JQHSSLGASA-N 2 0 335.492 1.523 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@H]1C ZINC000361775470 285390018 /nfs/dbraw/zinc/39/00/18/285390018.db2.gz WGEGCYVUPQNVFA-ZACQAIPSSA-N 2 0 339.528 1.137 20 0 EDADRP C[NH+](C/C=C/C[N@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271317900 140277443 /nfs/dbraw/zinc/27/74/43/140277443.db2.gz JFYBIPAWDIUSCY-ONEGZZNKSA-N 2 0 326.448 1.472 20 0 EDADRP COc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)ccc1OCC[NH+](C)C ZINC000416334696 304310403 /nfs/dbraw/zinc/31/04/03/304310403.db2.gz RGFOWDUGMROJAT-HIFRSBDPSA-N 2 0 335.448 1.772 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C[C@@H](C)O)CC1 ZINC000331318444 141007172 /nfs/dbraw/zinc/00/71/72/141007172.db2.gz KDZSAJLATWNKKP-NVXWUHKLSA-N 2 0 325.497 1.601 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)C1CCOCC1 ZINC000332874468 141242318 /nfs/dbraw/zinc/24/23/18/141242318.db2.gz JIZGRCXLVGGSQB-CVEARBPZSA-N 2 0 347.463 1.377 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)NCC(C)(C)N1C[C@@H](C)O[C@H](C)C1)C2 ZINC000332873674 141242375 /nfs/dbraw/zinc/24/23/75/141242375.db2.gz UMWPMTBNBDCNEG-FMKPAKJESA-N 2 0 348.491 1.758 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333485646 141325124 /nfs/dbraw/zinc/32/51/24/141325124.db2.gz GCLJFPFTFRFMRJ-CMPFZWEDSA-N 2 0 334.508 1.876 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000333593917 141342143 /nfs/dbraw/zinc/34/21/43/141342143.db2.gz OSZBXQMBUCIVJN-JKSUJKDBSA-N 2 0 327.432 1.865 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000333815450 141386865 /nfs/dbraw/zinc/38/68/65/141386865.db2.gz JZSGDEBIJQKOPC-WKILWMFISA-N 2 0 338.496 1.258 20 0 EDADRP Cc1ccc(C)c(OCCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000336877011 141471934 /nfs/dbraw/zinc/47/19/34/141471934.db2.gz LQVBEVLOWYPQEE-KRWDZBQOSA-N 2 0 333.476 1.859 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N2CCC(c3c[nH]cn3)CC2)CC1 ZINC000339634949 142102157 /nfs/dbraw/zinc/10/21/57/142102157.db2.gz LSMQUWKKJZASCZ-UHFFFAOYSA-N 2 0 347.463 1.105 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339738269 142139911 /nfs/dbraw/zinc/13/99/11/142139911.db2.gz SONLQPHVXWKCCJ-HNNXBMFYSA-N 2 0 340.512 1.214 20 0 EDADRP CO[C@@H]1CCC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000340286321 142330389 /nfs/dbraw/zinc/33/03/89/142330389.db2.gz SZIYZWDRRXBFJS-IAGOWNOFSA-N 2 0 327.513 1.924 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCC[NH2+][C@H]2C)CC1 ZINC000342688377 142745507 /nfs/dbraw/zinc/74/55/07/142745507.db2.gz CNUOHISCRHBGLM-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)[NH+](C)C)c1 ZINC000345634587 143114778 /nfs/dbraw/zinc/11/47/78/143114778.db2.gz HMBGGIRMZZLRHB-MSOLQXFVSA-N 2 0 349.475 1.523 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000345827486 143137495 /nfs/dbraw/zinc/13/74/95/143137495.db2.gz WVOZPAGYKZIYML-OAHLLOKOSA-N 2 0 340.418 1.297 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000346282989 143186632 /nfs/dbraw/zinc/18/66/32/143186632.db2.gz LFFIDJGYMXJDEB-HZPDHXFCSA-N 2 0 325.497 1.853 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000346742443 143240412 /nfs/dbraw/zinc/24/04/12/143240412.db2.gz URNYCTNKBLUTOG-UHFFFAOYSA-N 2 0 329.404 1.320 20 0 EDADRP CO[C@@H]1CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)[C@H](C[NH3+])C1 ZINC000346822103 143249073 /nfs/dbraw/zinc/24/90/73/143249073.db2.gz LQAXCHWJFRWCEB-UONOGXRCSA-N 2 0 338.521 1.848 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000346954821 143265843 /nfs/dbraw/zinc/26/58/43/143265843.db2.gz BRLGVUWLZYUCHE-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@]1(F)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000347020702 143272513 /nfs/dbraw/zinc/27/25/13/143272513.db2.gz JSENGDJGMZHYHK-GOSISDBHSA-N 2 0 349.454 1.737 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2cccs2)n1 ZINC000347034795 143274571 /nfs/dbraw/zinc/27/45/71/143274571.db2.gz CPLZIURSDKKMIG-CYBMUJFWSA-N 2 0 347.488 1.436 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCC(C)CC2)C1 ZINC000347067966 143278404 /nfs/dbraw/zinc/27/84/04/143278404.db2.gz KTVUOICZEVXSPU-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000347278467 143303092 /nfs/dbraw/zinc/30/30/92/143303092.db2.gz VNGDKRCXJBPDIM-NEWSRXKRSA-N 3 0 346.519 1.348 20 0 EDADRP CCC(CC)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH+]1CCOCC1 ZINC000347516887 143331378 /nfs/dbraw/zinc/33/13/78/143331378.db2.gz HABASDJBDJRZLD-SFHVURJKSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000347719930 143354045 /nfs/dbraw/zinc/35/40/45/143354045.db2.gz CWMWCRYEOZCTIO-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@@H+]1C ZINC000347957286 143383499 /nfs/dbraw/zinc/38/34/99/143383499.db2.gz CUYPLKHUETVRQE-KFWWJZLASA-N 2 0 340.512 1.068 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000572964742 306605856 /nfs/dbraw/zinc/60/58/56/306605856.db2.gz XUGJRIHOERDPAI-GOSISDBHSA-N 2 0 346.475 1.525 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)[C@@H](C)C1 ZINC000342698369 286060946 /nfs/dbraw/zinc/06/09/46/286060946.db2.gz SXKGCMVBCNKTMU-HZMVEIRTSA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318299 149362906 /nfs/dbraw/zinc/36/29/06/149362906.db2.gz ZBYDHFFWZSRBQN-ROUUACIJSA-N 2 0 336.524 1.489 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC([NH+]2CCCCC2)CC1 ZINC000573562345 306624403 /nfs/dbraw/zinc/62/44/03/306624403.db2.gz ZPBWQGHFNOPNAA-GOSISDBHSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CC[C@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000416970834 304357476 /nfs/dbraw/zinc/35/74/76/304357476.db2.gz OISLTMTYBHWYNR-RKVPGOIHSA-N 2 0 346.475 1.538 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000416979008 304360203 /nfs/dbraw/zinc/36/02/03/304360203.db2.gz WNNILBWUVNWXJL-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355255128 150188007 /nfs/dbraw/zinc/18/80/07/150188007.db2.gz PDIYMXWGSHZPAK-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000416986301 304361748 /nfs/dbraw/zinc/36/17/48/304361748.db2.gz JANSPRPCXNITAV-MRXNPFEDSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@@H]3COCCN3C3CCCC3)C2)CC1 ZINC000355337724 150223249 /nfs/dbraw/zinc/22/32/49/150223249.db2.gz SAAAHFDINIKJNZ-HKUYNNGSSA-N 2 0 349.519 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)Cc1ccccc1 ZINC000355437158 150267127 /nfs/dbraw/zinc/26/71/27/150267127.db2.gz BNECNEYAROUKLM-RTBURBONSA-N 2 0 347.503 1.465 20 0 EDADRP C[C@H](C(=O)N1CC[C@H](OCC[NH+]2CCCC2)C1)[NH+]1CCCCCC1 ZINC000355452658 150274464 /nfs/dbraw/zinc/27/44/64/150274464.db2.gz ZNHZJMDONAXLIG-MSOLQXFVSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000417038510 304364348 /nfs/dbraw/zinc/36/43/48/304364348.db2.gz IUUPMJOUDCMZEP-BRWVUGGUSA-N 2 0 340.512 1.504 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417044042 304365523 /nfs/dbraw/zinc/36/55/23/304365523.db2.gz MMFPXFRLZAONAU-UHFFFAOYSA-N 2 0 327.517 1.221 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417049543 304366856 /nfs/dbraw/zinc/36/68/56/304366856.db2.gz UKSCXSDDVHRKON-HOTGVXAUSA-N 2 0 326.485 1.319 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC[NH2+]CC1 ZINC000333856373 292238326 /nfs/dbraw/zinc/23/83/26/292238326.db2.gz RAJBSDRPLGMRDQ-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](CCO)C1 ZINC000357825778 151163071 /nfs/dbraw/zinc/16/30/71/151163071.db2.gz FJAUAXDNBXXUMA-NZSAHSFTSA-N 2 0 345.487 1.470 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357960708 151212177 /nfs/dbraw/zinc/21/21/77/151212177.db2.gz RGAKMISTEDBGPD-CQSZACIVSA-N 2 0 330.542 1.843 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358133336 151284047 /nfs/dbraw/zinc/28/40/47/151284047.db2.gz ZIXDESBORZHBIE-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000358492592 151394183 /nfs/dbraw/zinc/39/41/83/151394183.db2.gz GFXQRDMFWSARBK-MRXNPFEDSA-N 2 0 347.507 1.680 20 0 EDADRP CC[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CC[NH2+]C1 ZINC000360469079 152056720 /nfs/dbraw/zinc/05/67/20/152056720.db2.gz YOCQKLCAVSSZLU-VQIMIIECSA-N 2 0 345.443 1.924 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360665314 152144468 /nfs/dbraw/zinc/14/44/68/152144468.db2.gz VTOPETRYYXOWEV-RDJZCZTQSA-N 2 0 342.553 1.987 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360665315 152145221 /nfs/dbraw/zinc/14/52/21/152145221.db2.gz VTOPETRYYXOWEV-WBVHZDCISA-N 2 0 342.553 1.987 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000360796428 152208325 /nfs/dbraw/zinc/20/83/25/152208325.db2.gz GKMXSDOUTLHIQX-JYJNAYRXSA-N 2 0 328.501 1.203 20 0 EDADRP COC(=O)CCCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000360953860 152262544 /nfs/dbraw/zinc/26/25/44/152262544.db2.gz JNQRKPVWJQJKRF-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417150043 304378006 /nfs/dbraw/zinc/37/80/06/304378006.db2.gz JKGVLUYFXBQERW-QGZVFWFLSA-N 2 0 347.507 1.577 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000417150629 304378136 /nfs/dbraw/zinc/37/81/36/304378136.db2.gz GLYOHVRCAOURIH-DYVFJYSZSA-N 2 0 334.439 1.921 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)CC(=O)N1CCNC1=O ZINC000370171296 155362558 /nfs/dbraw/zinc/36/25/58/155362558.db2.gz YDBCSUVVIVVRFR-DOTOQJQBSA-N 2 0 344.459 1.381 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CCCCCC1 ZINC000362565114 152745788 /nfs/dbraw/zinc/74/57/88/152745788.db2.gz RBPNVLNROMRGMP-CQSZACIVSA-N 2 0 333.480 1.871 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000417178414 304381101 /nfs/dbraw/zinc/38/11/01/304381101.db2.gz DPFACIKYLOZMDU-KBPBESRZSA-N 2 0 328.407 1.441 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000417181123 304381526 /nfs/dbraw/zinc/38/15/26/304381526.db2.gz HQWZGEFMBPKVKK-PKOBYXMFSA-N 2 0 330.476 1.554 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](Cc3cc(=O)n(C)c(=O)n3C)CC2)CC1 ZINC000363619090 153014946 /nfs/dbraw/zinc/01/49/46/153014946.db2.gz JOPIVXCQHIVWOV-UHFFFAOYSA-N 2 0 348.491 1.028 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)c1 ZINC000574273369 306646377 /nfs/dbraw/zinc/64/63/77/306646377.db2.gz NZZJVTQKKSAOQK-QGTPRVQTSA-N 2 0 331.460 1.946 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000417226942 304385921 /nfs/dbraw/zinc/38/59/21/304385921.db2.gz BKZBTMPNBARPRV-ZWKOTPCHSA-N 2 0 330.476 1.806 20 0 EDADRP COCC[C@@H]1CCC[C@@H]1[NH2+]C1CCN(CC(=O)N2CCCC2)CC1 ZINC000367078311 154001535 /nfs/dbraw/zinc/00/15/35/154001535.db2.gz BIVIBWLUTBGJLR-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000417297881 304390643 /nfs/dbraw/zinc/39/06/43/304390643.db2.gz PBFZBMVCZPSPFM-INIZCTEOSA-N 2 0 326.485 1.304 20 0 EDADRP O=C1NC[C@@H]2C[N@H+](C[C@H]3CN(Cc4ccccc4)CCCO3)CC[C@@H]12 ZINC000368066058 154393333 /nfs/dbraw/zinc/39/33/33/154393333.db2.gz WBUJDWWPDQHCSC-GUDVDZBRSA-N 2 0 343.471 1.345 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000369658423 155123130 /nfs/dbraw/zinc/12/31/30/155123130.db2.gz DGBYYMUMSUJZQT-ONIAQPFYSA-N 2 0 332.492 1.596 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371792706 156107707 /nfs/dbraw/zinc/10/77/07/156107707.db2.gz NVHGRUDCQWQZRK-GOSISDBHSA-N 2 0 347.507 1.973 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523040 304402941 /nfs/dbraw/zinc/40/29/41/304402941.db2.gz HNVQOHOCGMAQDA-NVXWUHKLSA-N 2 0 348.491 1.548 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000373426153 156845502 /nfs/dbraw/zinc/84/55/02/156845502.db2.gz JMPSNMKBYDSQLU-LPHOPBHVSA-N 2 0 343.427 1.534 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)O1 ZINC000374585855 157336116 /nfs/dbraw/zinc/33/61/16/157336116.db2.gz QHLUURAJTPTXHH-KURKYZTESA-N 2 0 331.460 1.521 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417952277 304437536 /nfs/dbraw/zinc/43/75/36/304437536.db2.gz OFGLSJNCTFZKFV-OAHLLOKOSA-N 2 0 337.468 1.195 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNS(=O)(=O)CC[NH+](CC)CC ZINC000352264146 162082572 /nfs/dbraw/zinc/08/25/72/162082572.db2.gz GOCJKJDDSHRQKY-MRXNPFEDSA-N 2 0 333.542 1.902 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000352431434 162177126 /nfs/dbraw/zinc/17/71/26/162177126.db2.gz LJTBFKZQFHSZQP-SFHVURJKSA-N 2 0 336.524 1.395 20 0 EDADRP [NH3+]CCCNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417998164 304444398 /nfs/dbraw/zinc/44/43/98/304444398.db2.gz UQCDFYFCIAOJIQ-UHFFFAOYSA-N 2 0 334.464 1.352 20 0 EDADRP CC[NH+](CC)CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000081935232 287316105 /nfs/dbraw/zinc/31/61/05/287316105.db2.gz BZGFAKOWAIXDFE-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000423346832 304480569 /nfs/dbraw/zinc/48/05/69/304480569.db2.gz PTHXGLWZHDQXSW-HUUCEWRRSA-N 2 0 331.464 1.577 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000165969018 226142173 /nfs/dbraw/zinc/14/21/73/226142173.db2.gz NAASPHUQOKNYKH-LJQANCHMSA-N 2 0 344.503 1.091 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000166724854 226167166 /nfs/dbraw/zinc/16/71/66/226167166.db2.gz YNTZZHBQMNMNJZ-GDBMZVCRSA-N 2 0 335.473 1.205 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418372921 304487447 /nfs/dbraw/zinc/48/74/47/304487447.db2.gz UJDPFCYAFQKGHU-RDJZCZTQSA-N 2 0 334.464 1.739 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418379895 304488507 /nfs/dbraw/zinc/48/85/07/304488507.db2.gz JKMNYWCUVWSZFI-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000122345865 222066455 /nfs/dbraw/zinc/06/64/55/222066455.db2.gz QCKBGYMSPOBQRC-DNVCBOLYSA-N 2 0 348.491 1.045 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418400149 304491529 /nfs/dbraw/zinc/49/15/29/304491529.db2.gz FJOANSXTNSYMGK-NVXWUHKLSA-N 2 0 333.480 1.672 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418409293 304492950 /nfs/dbraw/zinc/49/29/50/304492950.db2.gz HIJSHDNVCQBIFJ-CABCVRRESA-N 2 0 326.485 1.038 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000132188918 287521868 /nfs/dbraw/zinc/52/18/68/287521868.db2.gz DSZIKROYVJJZQA-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc2ccccc2c1 ZINC000418498673 304503776 /nfs/dbraw/zinc/50/37/76/304503776.db2.gz KTFRYOIVSPGNST-IRXDYDNUSA-N 2 0 328.416 1.127 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc2c1OCCCO2 ZINC000274408064 268137215 /nfs/dbraw/zinc/13/72/15/268137215.db2.gz CURWVLXVUQUSEP-MRXNPFEDSA-N 2 0 333.476 1.964 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000274640247 268173936 /nfs/dbraw/zinc/17/39/36/268173936.db2.gz RAORBJIEERKASE-QGZVFWFLSA-N 2 0 331.508 1.666 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc(CCN3CCOCC3)cc2)C1 ZINC000274924695 268240012 /nfs/dbraw/zinc/24/00/12/268240012.db2.gz YLBBJMORZBBGLP-KRWDZBQOSA-N 2 0 346.475 1.635 20 0 EDADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(C)CC1 ZINC000275350941 268327874 /nfs/dbraw/zinc/32/78/74/268327874.db2.gz ZUXJGGHTYGEBLE-SFHVURJKSA-N 2 0 345.487 1.866 20 0 EDADRP CNS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275842739 268377720 /nfs/dbraw/zinc/37/77/20/268377720.db2.gz HFLWVQJFXSNPRU-HOCLYGCPSA-N 2 0 325.478 1.036 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCN(C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000273162773 273030683 /nfs/dbraw/zinc/03/06/83/273030683.db2.gz CKXOOOQALFAJNC-LJQANCHMSA-N 2 0 345.487 1.596 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000276069115 273146560 /nfs/dbraw/zinc/14/65/60/273146560.db2.gz VWVXCWRCEROKLM-HNNXBMFYSA-N 2 0 346.475 1.139 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279541103 273305300 /nfs/dbraw/zinc/30/53/00/273305300.db2.gz QABWCXVMTZCCAP-GOSISDBHSA-N 2 0 328.460 1.789 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C(=O)NCCF ZINC000282793554 273719455 /nfs/dbraw/zinc/71/94/55/273719455.db2.gz QIURTALTPISFAR-UONOGXRCSA-N 2 0 325.428 1.752 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000284168048 274103282 /nfs/dbraw/zinc/10/32/82/274103282.db2.gz USCQYZKVCLLGSL-IAGOWNOFSA-N 2 0 346.475 1.006 20 0 EDADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[NH2+]1 ZINC000333370218 275836559 /nfs/dbraw/zinc/83/65/59/275836559.db2.gz MIGSWNZDYIRZDJ-JKSUJKDBSA-N 2 0 338.496 1.148 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@]2(C)CCCC[C@@H]2C(=O)OC)CC1 ZINC000411406525 276150232 /nfs/dbraw/zinc/15/02/32/276150232.db2.gz JHEPNMHELLQLEB-QAPCUYQASA-N 2 0 339.480 1.298 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940887 276248399 /nfs/dbraw/zinc/24/83/99/276248399.db2.gz GYORADQFHQKXRZ-MRXNPFEDSA-N 2 0 336.524 1.393 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000353554083 276253734 /nfs/dbraw/zinc/25/37/34/276253734.db2.gz UMROZGGPUGLVBZ-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@@H]2C[NH+]2CCCC2)CC1 ZINC000348067756 276360124 /nfs/dbraw/zinc/36/01/24/276360124.db2.gz GEMOVYVFKQKKEF-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000341326689 276378344 /nfs/dbraw/zinc/37/83/44/276378344.db2.gz XORQNLURUHGMRI-JKSUJKDBSA-N 2 0 325.522 1.804 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000286001871 287912108 /nfs/dbraw/zinc/91/21/08/287912108.db2.gz IUAWOKHOZJHJKX-KRWDZBQOSA-N 2 0 337.439 1.485 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537724 277197181 /nfs/dbraw/zinc/19/71/81/277197181.db2.gz RXDJPZOYWZFNKR-GBESFXJTSA-N 2 0 327.472 1.919 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@H]2[C@@H]2CCC[NH2+]C2)C1 ZINC000333374657 277226699 /nfs/dbraw/zinc/22/66/99/277226699.db2.gz MXSJVSNBKGUWGZ-IKGGRYGDSA-N 2 0 338.496 1.271 20 0 EDADRP COCC[C@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000342744576 277241072 /nfs/dbraw/zinc/24/10/72/277241072.db2.gz LKQPSIFXABTSLW-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417575594 278200968 /nfs/dbraw/zinc/20/09/68/278200968.db2.gz GHOXPKLNMPWQKZ-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417025443 278244222 /nfs/dbraw/zinc/24/42/22/278244222.db2.gz RCLWRNLRDYXARG-WMZOPIPTSA-N 2 0 347.507 1.259 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)C[C@@H](C)O1 ZINC000237405588 278747817 /nfs/dbraw/zinc/74/78/17/278747817.db2.gz ZKHRYRJMLSBHKA-IIDMSEBBSA-N 2 0 331.460 1.316 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351772009 278857004 /nfs/dbraw/zinc/85/70/04/278857004.db2.gz XQMBHUKYLFKFPA-HZPDHXFCSA-N 2 0 340.512 1.022 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358317085 279071252 /nfs/dbraw/zinc/07/12/52/279071252.db2.gz KDUNTFBDPYSWGW-XIRDDKMYSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCC[N@@H+]1C ZINC000345410563 279122100 /nfs/dbraw/zinc/12/21/00/279122100.db2.gz LVGYTIBTLTZLAC-KBAYOESNSA-N 2 0 332.492 1.941 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000354350693 279362575 /nfs/dbraw/zinc/36/25/75/279362575.db2.gz HACWOCSJGLWABA-HZPDHXFCSA-N 2 0 345.553 1.063 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCC[NH+](C)[C@H]3C)CC2)CCO1 ZINC000345780985 288134030 /nfs/dbraw/zinc/13/40/30/288134030.db2.gz MZTAUSOYJBMXHG-VYDXJSESSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000246206908 288156530 /nfs/dbraw/zinc/15/65/30/288156530.db2.gz FMYVEDVWGPGCII-JZXOWHBKSA-N 2 0 337.508 1.724 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000287349467 288216237 /nfs/dbraw/zinc/21/62/37/288216237.db2.gz MOHHOWNWPUHWEU-AEFFLSMTSA-N 2 0 348.491 1.527 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1C[C@H](C)O ZINC000358869433 280375519 /nfs/dbraw/zinc/37/55/19/280375519.db2.gz XQOLKLYOJZLQDY-IAOVAPTHSA-N 2 0 337.439 1.172 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000362862851 281151558 /nfs/dbraw/zinc/15/15/58/281151558.db2.gz LDVUZUFZFSSNBH-WBVHZDCISA-N 2 0 333.476 1.665 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287714400 288302924 /nfs/dbraw/zinc/30/29/24/288302924.db2.gz AVXHLDZBDGEDBX-FUHWJXTLSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287888878 288348520 /nfs/dbraw/zinc/34/85/20/288348520.db2.gz BWCVBGZJFTYFMX-WMZOPIPTSA-N 2 0 330.476 1.997 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H]1C ZINC000287982690 288373438 /nfs/dbraw/zinc/37/34/38/288373438.db2.gz JLBMNMQIYCZHAT-AEFFLSMTSA-N 2 0 348.491 1.263 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000289838374 288788601 /nfs/dbraw/zinc/78/86/01/288788601.db2.gz AVHMEJKTMIPCKK-STQMWFEESA-N 2 0 339.461 1.282 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccsc1 ZINC000290058838 288830999 /nfs/dbraw/zinc/83/09/99/288830999.db2.gz VLVCUQLRCOUGLE-KBPBESRZSA-N 2 0 341.477 1.528 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)c1ccsc1 ZINC000290058846 288831186 /nfs/dbraw/zinc/83/11/86/288831186.db2.gz VLVCUQLRCOUGLE-ZIAGYGMSSA-N 2 0 341.477 1.528 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000185209518 289187088 /nfs/dbraw/zinc/18/70/88/289187088.db2.gz GUSBFODPVBEVNV-QGZVFWFLSA-N 2 0 332.492 1.895 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000366636071 289221549 /nfs/dbraw/zinc/22/15/49/289221549.db2.gz MACRSGHCNLFSTK-MAUKXSAKSA-N 2 0 340.512 1.395 20 0 EDADRP COc1ccc(NC(=O)NC(=O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292043978 289246805 /nfs/dbraw/zinc/24/68/05/289246805.db2.gz AXHVYTIWELRVHE-SFHVURJKSA-N 2 0 346.431 1.371 20 0 EDADRP C[NH+]1CCC[C@H]1C(=O)Nc1cccc(NC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000292630587 289399683 /nfs/dbraw/zinc/39/96/83/289399683.db2.gz YSBMFRYXDIWOHM-HOTGVXAUSA-N 2 0 330.432 1.752 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000347718892 289610388 /nfs/dbraw/zinc/61/03/88/289610388.db2.gz ASQLMYBWAYXTCG-IAGOWNOFSA-N 2 0 349.475 1.891 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000416832235 295213372 /nfs/dbraw/zinc/21/33/72/295213372.db2.gz VXDVEWOWVCHRMN-RHSMWYFYSA-N 2 0 334.464 1.726 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331798245 295247093 /nfs/dbraw/zinc/24/70/93/295247093.db2.gz LWBZZMAELFLKBK-ULQDDVLXSA-N 2 0 338.496 1.258 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]2CCCC2)c1 ZINC000262768473 295325473 /nfs/dbraw/zinc/32/54/73/295325473.db2.gz HWQCCRNCRJJHLP-SJORKVTESA-N 2 0 335.448 1.312 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000238081629 295549053 /nfs/dbraw/zinc/54/90/53/295549053.db2.gz ZENKTPZLXAYPDP-JKSUJKDBSA-N 2 0 325.522 1.949 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC[NH+](C)CC1 ZINC000418195749 295578967 /nfs/dbraw/zinc/57/89/67/295578967.db2.gz GKRWQYAEKLQJIS-UONOGXRCSA-N 2 0 328.526 1.631 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418512165 304506357 /nfs/dbraw/zinc/50/63/57/304506357.db2.gz DUGGRSUAWJWEQU-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418627620 304520728 /nfs/dbraw/zinc/52/07/28/304520728.db2.gz BAFWJWCPOOWTRE-YJBOKZPZSA-N 2 0 330.476 1.999 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000422010971 447306631 /nfs/dbraw/zinc/30/66/31/447306631.db2.gz CKWAOASHXBYZSQ-SJLPKXTDSA-N 2 0 336.524 1.203 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000448238799 447307386 /nfs/dbraw/zinc/30/73/86/447307386.db2.gz HXNMGOHALIWLOI-KRWDZBQOSA-N 2 0 346.475 1.135 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000418836504 304538256 /nfs/dbraw/zinc/53/82/56/304538256.db2.gz RIKZCWCEALWEDI-OLZOCXBDSA-N 2 0 340.493 1.101 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCCCCC1 ZINC000418895401 304545917 /nfs/dbraw/zinc/54/59/17/304545917.db2.gz CSOADASNYVBCGK-GJZGRUSLSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])C(C)(C)C ZINC000419138635 304569453 /nfs/dbraw/zinc/56/94/53/304569453.db2.gz SWNSLVVUUSZEOR-ILXRZTDVSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378527256 298317615 /nfs/dbraw/zinc/31/76/15/298317615.db2.gz ULZBOVPUJXLQRY-CABCVRRESA-N 2 0 325.497 1.865 20 0 EDADRP C[C@H](C[NH+](C)C)Nc1nc(N[C@@H](C)C[NH+](C)C)nc2ccccc21 ZINC000343804323 298497366 /nfs/dbraw/zinc/49/73/66/298497366.db2.gz JHAJFTDMKKRSGF-KGLIPLIRSA-N 2 0 330.480 1.198 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(Cc2ccccn2)[C@H]2CCC[NH2+]CC2)CC[NH2+]1 ZINC000370348837 300397160 /nfs/dbraw/zinc/39/71/60/300397160.db2.gz AYJXHSFATNRRDH-BQFCYCMXSA-N 2 0 330.476 1.940 20 0 EDADRP Cc1ccc(OCC(=O)N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420296088 304744651 /nfs/dbraw/zinc/74/46/51/304744651.db2.gz DAPUUMKCWRQYPH-GOSISDBHSA-N 2 0 345.487 1.908 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000422040976 447322175 /nfs/dbraw/zinc/32/21/75/447322175.db2.gz SVEZXKXPTXVLSD-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000165947306 302938664 /nfs/dbraw/zinc/93/86/64/302938664.db2.gz BDCOPLCDERXOME-AWEZNQCLSA-N 2 0 325.419 1.960 20 0 EDADRP C[C@H]1[C@H](O)CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000296412288 303314807 /nfs/dbraw/zinc/31/48/07/303314807.db2.gz VGBLFQKDGQHZHU-QFBILLFUSA-N 2 0 345.487 1.744 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000296967604 303349562 /nfs/dbraw/zinc/34/95/62/303349562.db2.gz OKKPPEOLAHIOEY-OAHLLOKOSA-N 2 0 334.464 1.578 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1C[C@@H](C)N(CCO)[C@@H](C)C1)c1ccccc1 ZINC000456208431 447328050 /nfs/dbraw/zinc/32/80/50/447328050.db2.gz IIPPXWCIPSTYIC-JZXOWHBKSA-N 2 0 333.476 1.593 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1ccccc1 ZINC000329140737 303412641 /nfs/dbraw/zinc/41/26/41/303412641.db2.gz JSIIHWBACGTGEQ-DOADOZAASA-N 2 0 327.472 1.967 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000419667532 447333513 /nfs/dbraw/zinc/33/35/13/447333513.db2.gz BVIFRUJWEWYSTC-CVEARBPZSA-N 2 0 340.512 1.055 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000419671748 447336198 /nfs/dbraw/zinc/33/61/98/447336198.db2.gz YSPIUFQIZOLHJF-CVEARBPZSA-N 2 0 340.512 1.116 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000414876689 447338598 /nfs/dbraw/zinc/33/85/98/447338598.db2.gz KTTZFLSVYAYVJA-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP COc1cc(C[NH2+]C[C@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000414874066 447337596 /nfs/dbraw/zinc/33/75/96/447337596.db2.gz HYTMVWAVUCKUTR-CQSZACIVSA-N 2 0 335.448 1.381 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664936685 453501934 /nfs/dbraw/zinc/50/19/34/453501934.db2.gz ZGXBLNHZTVVOFC-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000411631563 303901729 /nfs/dbraw/zinc/90/17/29/303901729.db2.gz MSKPHNUIVACILF-JQHSSLGASA-N 2 0 335.492 1.524 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[NH2+][C@H]3C(C)C)CC2)c1 ZINC000377759573 447340890 /nfs/dbraw/zinc/34/08/90/447340890.db2.gz ZWBWPDXJHNAOTJ-WBVHZDCISA-N 2 0 332.448 1.373 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423078112 304884315 /nfs/dbraw/zinc/88/43/15/304884315.db2.gz NVCJXPGXOKCNGN-ZFWWWQNUSA-N 2 0 331.526 1.686 20 0 EDADRP COC[C@]1(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423336472 304893233 /nfs/dbraw/zinc/89/32/33/304893233.db2.gz SUYZKNOHCQBJDY-BQFCYCMXSA-N 2 0 325.497 1.487 20 0 EDADRP COCC1(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC[NH2+]CC1 ZINC000423380520 304894224 /nfs/dbraw/zinc/89/42/24/304894224.db2.gz DTHSJEJPCVEXDE-HNNXBMFYSA-N 2 0 329.448 1.934 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000423751659 304908087 /nfs/dbraw/zinc/90/80/87/304908087.db2.gz ZCNZLBXHZNPZKX-GOSISDBHSA-N 2 0 333.476 1.851 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000423768032 304909351 /nfs/dbraw/zinc/90/93/51/304909351.db2.gz ZNUFOUYEKAPDAI-ZWKOTPCHSA-N 2 0 330.476 1.608 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CCC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424036394 304925791 /nfs/dbraw/zinc/92/57/91/304925791.db2.gz HHGAEGILDBYYAY-KRWDZBQOSA-N 3 0 330.476 1.096 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccccc1F ZINC000424037642 304925860 /nfs/dbraw/zinc/92/58/60/304925860.db2.gz KGPODZHGUORVGD-MZJJYOIFSA-N 2 0 331.435 2.000 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000424461255 304930834 /nfs/dbraw/zinc/93/08/34/304930834.db2.gz CXOCEFXPAHDYJN-RHSMWYFYSA-N 2 0 344.459 1.477 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C)c1 ZINC000424462343 304931044 /nfs/dbraw/zinc/93/10/44/304931044.db2.gz FMPDQVQZPHWWPI-UHFFFAOYSA-N 2 0 334.464 1.438 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000430605051 305058384 /nfs/dbraw/zinc/05/83/84/305058384.db2.gz PLKATFOCGWCCLU-UHFFFAOYSA-N 3 0 344.503 1.569 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430773074 305064709 /nfs/dbraw/zinc/06/47/09/305064709.db2.gz PYAUOYFXZVRCFH-ULQDDVLXSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430928216 305068619 /nfs/dbraw/zinc/06/86/19/305068619.db2.gz SYTURRFQCJTCEN-HNNXBMFYSA-N 2 0 348.466 1.534 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000430943887 305069831 /nfs/dbraw/zinc/06/98/31/305069831.db2.gz QRCAADBWUZKHDN-VXGBXAGGSA-N 2 0 336.411 1.922 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000430947437 305070008 /nfs/dbraw/zinc/07/00/08/305070008.db2.gz ATUJNNOLMUVGNS-OAHLLOKOSA-N 2 0 348.466 1.534 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)COC2C[NH2+]C2)cc1Cl ZINC000431055962 305073865 /nfs/dbraw/zinc/07/38/65/305073865.db2.gz ZIOHGGOMBYLMLS-UHFFFAOYSA-N 2 0 327.812 1.207 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccnc(N3CCCC3)c2)CC1 ZINC000433113130 305100508 /nfs/dbraw/zinc/10/05/08/305100508.db2.gz DELSOAAFAKINQY-UHFFFAOYSA-N 2 0 345.491 1.501 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCOc3ccc(F)cc32)CC1 ZINC000433121320 305100941 /nfs/dbraw/zinc/10/09/41/305100941.db2.gz RFCZXFCUDWHVMK-INIZCTEOSA-N 2 0 335.423 1.969 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)CC1 ZINC000433148902 305101664 /nfs/dbraw/zinc/10/16/64/305101664.db2.gz SCOHJACBMRXSTQ-GOSISDBHSA-N 2 0 349.450 1.929 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433161782 305102214 /nfs/dbraw/zinc/10/22/14/305102214.db2.gz YJKAKAAYZDNCSC-SFHVURJKSA-N 3 0 332.492 1.609 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H](CO)Cc2ccccc2)CC1 ZINC000433162499 305102222 /nfs/dbraw/zinc/10/22/22/305102222.db2.gz ZUJBKBZXUCNOTE-KRWDZBQOSA-N 2 0 333.476 1.157 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC[NH+](C)C2CCCC2)CCCO1 ZINC000433330373 305105911 /nfs/dbraw/zinc/10/59/11/305105911.db2.gz JEJBICGKSIUGFN-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433385493 305107378 /nfs/dbraw/zinc/10/73/78/305107378.db2.gz YIJUKMSZVGGSSB-HNNXBMFYSA-N 2 0 334.468 1.149 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433392759 305107584 /nfs/dbraw/zinc/10/75/84/305107584.db2.gz YCQOJFHNLUIESQ-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433453805 305109413 /nfs/dbraw/zinc/10/94/13/305109413.db2.gz CHUXIWHFGXITRO-ZACQAIPSSA-N 2 0 340.512 1.469 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)ccc21 ZINC000435235170 305137545 /nfs/dbraw/zinc/13/75/45/305137545.db2.gz CSKKMDOBIPTOMC-QGZVFWFLSA-N 2 0 326.444 1.957 20 0 EDADRP COc1ccc2oc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000435370935 305139196 /nfs/dbraw/zinc/13/91/96/305139196.db2.gz KJUASZMIBCTNCH-ZDUSSCGKSA-N 2 0 331.416 1.728 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)CC1 ZINC000414898432 447348654 /nfs/dbraw/zinc/34/86/54/447348654.db2.gz AECSDEHMCCEUMP-GDBMZVCRSA-N 2 0 339.480 1.298 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]CC[C@H]3CCOC3)CC2)nc1 ZINC000438215365 305183384 /nfs/dbraw/zinc/18/33/84/305183384.db2.gz NVGGPWKIVWSEQU-KRWDZBQOSA-N 2 0 333.480 1.395 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000440512371 305208889 /nfs/dbraw/zinc/20/88/89/305208889.db2.gz KHYDQROXMRIBRV-ICSRJNTNSA-N 2 0 345.487 1.614 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)COCc1ccco1 ZINC000441266100 305219935 /nfs/dbraw/zinc/21/99/35/305219935.db2.gz MTFJRRUHUOZDSR-AHCXZYCDSA-N 2 0 338.448 1.341 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C1 ZINC000443072537 305234506 /nfs/dbraw/zinc/23/45/06/305234506.db2.gz NXUSREYQVRXNJM-OAHLLOKOSA-N 2 0 344.459 1.813 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414898437 447349147 /nfs/dbraw/zinc/34/91/47/447349147.db2.gz AFEOEAOYRGZPOO-UKRRQHHQSA-N 2 0 333.432 1.922 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000446601767 305267670 /nfs/dbraw/zinc/26/76/70/305267670.db2.gz YYCPZNYPGGKKFO-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP c1nc(N2CCOCC2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887622 305271634 /nfs/dbraw/zinc/27/16/34/305271634.db2.gz WKTYYIPKBYPGII-UHFFFAOYSA-N 2 0 336.505 1.944 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCCc3ccccc3CC2)C1=O ZINC000448554547 305298152 /nfs/dbraw/zinc/29/81/52/305298152.db2.gz HQFYVAPDQOCKTP-QGZVFWFLSA-N 2 0 329.444 1.166 20 0 EDADRP [NH3+]CCC(=O)N1CCCN(Cc2cn3cc(Cl)ccc3n2)CC1 ZINC000449114271 305306993 /nfs/dbraw/zinc/30/69/93/305306993.db2.gz ZAPUXDFVAUMBKA-UHFFFAOYSA-N 2 0 335.839 1.371 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)C(F)(F)F ZINC000449730178 305318178 /nfs/dbraw/zinc/31/81/78/305318178.db2.gz PWORRNKRZTVUBL-WCQYABFASA-N 2 0 328.338 1.434 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC(NCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425892762 447351728 /nfs/dbraw/zinc/35/17/28/447351728.db2.gz ACAWTAMHXAIVEK-OALUTQOASA-N 2 0 348.491 1.609 20 0 EDADRP CC(C)c1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1C ZINC000471960075 305541967 /nfs/dbraw/zinc/54/19/67/305541967.db2.gz COTZVRYJNWLOHT-UHFFFAOYSA-N 2 0 337.512 1.889 20 0 EDADRP O=C(/C=C\[C@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493694706 305623201 /nfs/dbraw/zinc/62/32/01/305623201.db2.gz SHDSNDZZIGVIOP-KYVUIXNKSA-N 2 0 344.459 1.303 20 0 EDADRP Cc1ncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)n1C ZINC000516089443 305732858 /nfs/dbraw/zinc/73/28/58/305732858.db2.gz RYFJQBQZZPOWGN-UHFFFAOYSA-N 2 0 328.464 1.425 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC[C@H]3C[NH3+])cn2)CC1 ZINC000518164320 305759368 /nfs/dbraw/zinc/75/93/68/305759368.db2.gz MMPPJHDZJGQHQA-ZWKOTPCHSA-N 3 0 331.508 1.831 20 0 EDADRP Cc1cc(NC(=O)N2CC[NH2+]C(C)(C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000520763002 305783030 /nfs/dbraw/zinc/78/30/30/305783030.db2.gz XSICMQIIVYMJPL-UHFFFAOYSA-N 2 0 334.468 1.674 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000522002470 305797210 /nfs/dbraw/zinc/79/72/10/305797210.db2.gz WUDAULYLIXFWPU-GFCCVEGCSA-N 2 0 344.394 1.067 20 0 EDADRP C[C@H](CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C[NH+]1CCCC1 ZINC000535047876 306011536 /nfs/dbraw/zinc/01/15/36/306011536.db2.gz LKYGHIGZDUGEFQ-MRXNPFEDSA-N 2 0 345.491 1.295 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000535726451 306015120 /nfs/dbraw/zinc/01/51/20/306015120.db2.gz BKZVQAGEICKFOV-HOTGVXAUSA-N 2 0 342.528 1.715 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000543713868 306067648 /nfs/dbraw/zinc/06/76/48/306067648.db2.gz LMSKQPCXCGMGMN-AEFFLSMTSA-N 2 0 331.460 1.900 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659445 306187182 /nfs/dbraw/zinc/18/71/82/306187182.db2.gz YQRWSTDGYARVHT-FLOBVVSRSA-N 2 0 336.480 1.465 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@H]1C1(O)CC1)c1ccccc1 ZINC000556780315 306217766 /nfs/dbraw/zinc/21/77/66/306217766.db2.gz XRXLQNRDPFPZRB-ROUUACIJSA-N 2 0 345.487 1.785 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(C[NH3+])CC2)Cc2ccccc2C1 ZINC000557168416 306225372 /nfs/dbraw/zinc/22/53/72/306225372.db2.gz XHVJXPBZQBWSAU-UHFFFAOYSA-N 2 0 330.476 1.466 20 0 EDADRP C[C@]1(CNC(=O)NC[C@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000557204742 306226312 /nfs/dbraw/zinc/22/63/12/306226312.db2.gz HMRFRNSKNMXNRE-IEBWSBKVSA-N 2 0 346.475 1.329 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414945719 447368073 /nfs/dbraw/zinc/36/80/73/447368073.db2.gz RYVCAJLPOAXSNG-ZFWWWQNUSA-N 2 0 335.448 1.298 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000414949072 447369909 /nfs/dbraw/zinc/36/99/09/447369909.db2.gz ZNQTVQWRCXPWIA-WMLDXEAASA-N 2 0 346.475 1.676 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000419724336 447374962 /nfs/dbraw/zinc/37/49/62/447374962.db2.gz GVZZYVCEGPTDGU-HUUCEWRRSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000414964034 447377312 /nfs/dbraw/zinc/37/73/12/447377312.db2.gz LLNYVWILHSVBMN-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000422176739 447387761 /nfs/dbraw/zinc/38/77/61/447387761.db2.gz HWPXOLMUXPSUCG-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426125436 447395112 /nfs/dbraw/zinc/39/51/12/447395112.db2.gz DTWZGDLHIVSPDH-LMMKCTJWSA-N 2 0 348.535 1.630 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000105114069 441234818 /nfs/dbraw/zinc/23/48/18/441234818.db2.gz HUPIZRALPHMBPS-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000106521460 441349017 /nfs/dbraw/zinc/34/90/17/441349017.db2.gz IKHYGBSUJZEWJJ-INIZCTEOSA-N 2 0 347.507 1.183 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCC(=O)OC)CC(C)C)CC1 ZINC000050031863 441369842 /nfs/dbraw/zinc/36/98/42/441369842.db2.gz VIUZUBYLDWFHDL-UHFFFAOYSA-N 2 0 327.469 1.108 20 0 EDADRP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)o1 ZINC000114506629 441665225 /nfs/dbraw/zinc/66/52/25/441665225.db2.gz MFAPMETWRGSFJV-FUHWJXTLSA-N 2 0 335.492 1.883 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000041241389 441640196 /nfs/dbraw/zinc/64/01/96/441640196.db2.gz HXXPHMOFVGEVEO-UHFFFAOYSA-N 2 0 344.459 1.430 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000090936875 441646071 /nfs/dbraw/zinc/64/60/71/441646071.db2.gz CQJWQRBIBNCFNW-MRXNPFEDSA-N 2 0 329.448 1.923 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136616018 441707951 /nfs/dbraw/zinc/70/79/51/441707951.db2.gz LKWPRWSTKXDHSV-JKSUJKDBSA-N 2 0 348.491 1.872 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091848468 441747594 /nfs/dbraw/zinc/74/75/94/441747594.db2.gz CDZOYYMQVSIJAV-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000137182686 441753014 /nfs/dbraw/zinc/75/30/14/441753014.db2.gz OECDMAAMQFYTAD-KRWDZBQOSA-N 2 0 331.460 1.633 20 0 EDADRP COc1cccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c1OC(F)F ZINC000077450196 441783221 /nfs/dbraw/zinc/78/32/21/441783221.db2.gz KCXKZOMPJCABLU-UHFFFAOYSA-N 2 0 330.375 1.843 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116438632 441821935 /nfs/dbraw/zinc/82/19/35/441821935.db2.gz OCERXLFZJVYPCR-HZPDHXFCSA-N 2 0 341.544 1.288 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000068598230 441829691 /nfs/dbraw/zinc/82/96/91/441829691.db2.gz YNTBJFOJDQMLDG-PBHICJAKSA-N 2 0 336.480 1.937 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000043292103 441830986 /nfs/dbraw/zinc/83/09/86/441830986.db2.gz ZINKZRUZDRDRMW-UHFFFAOYSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C[C@H](C)O1 ZINC000069016969 441879056 /nfs/dbraw/zinc/87/90/56/441879056.db2.gz RROPTJWBFDYDEP-IYBDPMFKSA-N 2 0 337.508 1.676 20 0 EDADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721110 441958434 /nfs/dbraw/zinc/95/84/34/441958434.db2.gz HHLMQGBPELBLLY-MSOLQXFVSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000126281703 442094408 /nfs/dbraw/zinc/09/44/08/442094408.db2.gz VKEPXTCBASCORO-QGZVFWFLSA-N 2 0 340.512 1.110 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000175354145 442048905 /nfs/dbraw/zinc/04/89/05/442048905.db2.gz DACLEQAFQYQATP-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP CC[N@H+](C)CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000069818991 442050139 /nfs/dbraw/zinc/05/01/39/442050139.db2.gz IYYBAFGOPDMZFF-SFHVURJKSA-N 2 0 347.507 1.226 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126121317 442080560 /nfs/dbraw/zinc/08/05/60/442080560.db2.gz LJQYPRKDDRGQHZ-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000162682172 442114897 /nfs/dbraw/zinc/11/48/97/442114897.db2.gz AACBASGKFQHLSI-PBWTXFEYSA-N 2 0 345.487 1.780 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[N@@H+]1C1CC1 ZINC000151822081 442125663 /nfs/dbraw/zinc/12/56/63/442125663.db2.gz YGTXZXMRRQXYJZ-BBRMVZONSA-N 2 0 344.459 1.428 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000164580324 442199419 /nfs/dbraw/zinc/19/94/19/442199419.db2.gz BFJUUTIECOSHLX-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1)Cc1ccccc1 ZINC000167701963 442222448 /nfs/dbraw/zinc/22/24/48/442222448.db2.gz XAMLCSNEOUCUTF-GOSISDBHSA-N 2 0 346.519 1.636 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)C1 ZINC000154644499 442349662 /nfs/dbraw/zinc/34/96/62/442349662.db2.gz HIAFAMPUMNKHDP-CQSZACIVSA-N 2 0 330.432 1.074 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)c1 ZINC000177536895 442355048 /nfs/dbraw/zinc/35/50/48/442355048.db2.gz SRKKNDFLAIHPBT-INIZCTEOSA-N 2 0 332.448 1.239 20 0 EDADRP CC1(C)NC(=O)N(CCCN2CCC[C@@H]([NH+]3CCCC3)CC2)C1=O ZINC000157450345 442585169 /nfs/dbraw/zinc/58/51/69/442585169.db2.gz OOTIXHXESYDTTK-OAHLLOKOSA-N 2 0 336.480 1.657 20 0 EDADRP CC[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000180746216 442654513 /nfs/dbraw/zinc/65/45/13/442654513.db2.gz KUSPLACKWHCUJR-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000135554372 442611773 /nfs/dbraw/zinc/61/17/73/442611773.db2.gz MIPYXMQIHLUYCJ-QZTJIDSGSA-N 2 0 331.460 1.354 20 0 EDADRP CCN(CC)C(=O)[C@H]1CCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000192726271 442681030 /nfs/dbraw/zinc/68/10/30/442681030.db2.gz IXOJYOOUXYHFTQ-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NCc1cccnc1N1CC[NH+](C)CC1)C2 ZINC000192747024 442682824 /nfs/dbraw/zinc/68/28/24/442682824.db2.gz PJIQFUNOBJRPEN-AYHJJNSGSA-N 2 0 329.492 1.548 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+]([C@H](C)c3ccccc3)CC2)C1 ZINC000187949454 442699819 /nfs/dbraw/zinc/69/98/19/442699819.db2.gz VPTHNSCCLADTMK-FHLIZLRMSA-N 2 0 331.460 1.705 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000187954676 442700027 /nfs/dbraw/zinc/70/00/27/442700027.db2.gz UDVKRPNONYHMEA-OKZBNKHCSA-N 2 0 331.460 1.344 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000188165185 442719410 /nfs/dbraw/zinc/71/94/10/442719410.db2.gz SKFDSISPTBJSML-GOSISDBHSA-N 2 0 331.460 1.345 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cncc(O)c1 ZINC000181952390 442723168 /nfs/dbraw/zinc/72/31/68/442723168.db2.gz DQJQVIPRBLDXRK-IWAYRVGRSA-N 2 0 346.475 1.675 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC2CC[NH+](CC)CC2)C1(C)C ZINC000188202361 442723819 /nfs/dbraw/zinc/72/38/19/442723819.db2.gz TUNNCUMQBJJTGF-CRAIPNDOSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000193292192 442730029 /nfs/dbraw/zinc/73/00/29/442730029.db2.gz SOSIUSCQTAETRI-DOTOQJQBSA-N 2 0 338.496 1.127 20 0 EDADRP CCC[NH+]1CCC([NH2+]CC2(N3CCOCC3)CC(OCC)C2)CC1 ZINC000193402308 442739397 /nfs/dbraw/zinc/73/93/97/442739397.db2.gz ZLPQKGWNFXSKFK-UHFFFAOYSA-N 2 0 339.524 1.720 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000193068847 442710237 /nfs/dbraw/zinc/71/02/37/442710237.db2.gz YSFKDOWWIZNBKI-SFHVURJKSA-N 2 0 348.491 1.437 20 0 EDADRP C[C@H]([NH2+]CC1(C[NH2+][C@@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438861 442767197 /nfs/dbraw/zinc/76/71/97/442767197.db2.gz WTMMQHPSYFMNQR-HOTGVXAUSA-N 2 0 340.508 1.812 20 0 EDADRP CC[N@H+](CCO)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000265457480 442780786 /nfs/dbraw/zinc/78/07/86/442780786.db2.gz DNPPNMORHFOQAL-MRXNPFEDSA-N 2 0 333.476 1.470 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000247049161 442830983 /nfs/dbraw/zinc/83/09/83/442830983.db2.gz NCWGPSFZPIBMFI-ROUUACIJSA-N 2 0 346.523 1.309 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000188796252 442815389 /nfs/dbraw/zinc/81/53/89/442815389.db2.gz HWOTXMZVWIHMTB-ZWKOTPCHSA-N 2 0 348.466 1.140 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)C[C@H]1CCCOC1)C[C@@H]1CCCOC1 ZINC000247163928 442839175 /nfs/dbraw/zinc/83/91/75/442839175.db2.gz UXLBZRBVEPGPOH-HDICACEKSA-N 2 0 328.497 1.720 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247203075 442841232 /nfs/dbraw/zinc/84/12/32/442841232.db2.gz XJBDFZRXCIADKF-BRWVUGGUSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](CC(C)(C)O)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000189218989 442899418 /nfs/dbraw/zinc/89/94/18/442899418.db2.gz MFOLKXDGEBIGEO-RBSFLKMASA-N 2 0 338.496 1.098 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000268244511 442916522 /nfs/dbraw/zinc/91/65/22/442916522.db2.gz RTDTYJAJEGHJNS-NJAFHUGGSA-N 2 0 332.492 1.751 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000194603854 442921474 /nfs/dbraw/zinc/92/14/74/442921474.db2.gz DBFPYIZOGFBSQT-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(C)c1 ZINC000265981673 442993178 /nfs/dbraw/zinc/99/31/78/442993178.db2.gz BMIHMDPJAMKVAX-OALUTQOASA-N 2 0 348.487 1.697 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000266156473 443038400 /nfs/dbraw/zinc/03/84/00/443038400.db2.gz VGNVDNUHMGLDQI-UHFFFAOYSA-N 2 0 345.491 1.148 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[N@@H+](C2CC2)CC1)c1ccccc1 ZINC000184576575 443042312 /nfs/dbraw/zinc/04/23/12/443042312.db2.gz QZARZYIYVPDBPB-LJQANCHMSA-N 2 0 344.503 1.576 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCN(C)CC[NH+](C)C ZINC000623088020 450398553 /nfs/dbraw/zinc/39/85/53/450398553.db2.gz SNXYHSBZYSLGAA-UYAOXDASSA-N 2 0 332.536 1.980 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](OC)C1 ZINC000190354457 443090814 /nfs/dbraw/zinc/09/08/14/443090814.db2.gz JHFLVELHHJSODI-IKGGRYGDSA-N 2 0 340.512 1.611 20 0 EDADRP CC[C@@H]([NH2+]C[C@@H](O)CN1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748032 443095972 /nfs/dbraw/zinc/09/59/72/443095972.db2.gz GPTHHZIACXRJPC-RTBURBONSA-N 2 0 328.460 1.880 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238002628 443192069 /nfs/dbraw/zinc/19/20/69/443192069.db2.gz XCSLGTOKNWKZCE-MRXNPFEDSA-N 2 0 335.492 1.527 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236974874 443154886 /nfs/dbraw/zinc/15/48/86/443154886.db2.gz XHDIJVWZUPOHGF-AWEZNQCLSA-N 2 0 330.480 1.392 20 0 EDADRP CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185604440 443225608 /nfs/dbraw/zinc/22/56/08/443225608.db2.gz AOGKBGBKAWAILI-ZACQAIPSSA-N 2 0 325.497 1.580 20 0 EDADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c1 ZINC000262509235 443198527 /nfs/dbraw/zinc/19/85/27/443198527.db2.gz LVLYGRSZDFKMRL-ZWKOTPCHSA-N 2 0 333.476 1.648 20 0 EDADRP CN1CCO[C@H]2CN(C(=O)NCCC[N@H+](C)Cc3ccccc3)C[C@H]21 ZINC000350042212 319040056 /nfs/dbraw/zinc/04/00/56/319040056.db2.gz QXRVLMCDQXMSFW-MSOLQXFVSA-N 2 0 346.475 1.233 20 0 EDADRP CCC[N@H+](CC)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357561418 319112085 /nfs/dbraw/zinc/11/20/85/319112085.db2.gz KGZXIQBLIUQJCE-UHFFFAOYSA-N 2 0 327.494 1.758 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000269253946 443252218 /nfs/dbraw/zinc/25/22/18/443252218.db2.gz QWQCROJWLFIFLE-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000269261900 443256258 /nfs/dbraw/zinc/25/62/58/443256258.db2.gz MVLBKLIPMXQMPM-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP CN(C(=O)C[NH2+]C[C@H]1CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269258963 443255308 /nfs/dbraw/zinc/25/53/08/443255308.db2.gz LPCNBVFCPDFDHU-LJQANCHMSA-N 2 0 345.487 1.878 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000413921118 319303323 /nfs/dbraw/zinc/30/33/23/319303323.db2.gz NYPJFIIUILSTLA-INIZCTEOSA-N 2 0 341.496 1.452 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269265603 443257638 /nfs/dbraw/zinc/25/76/38/443257638.db2.gz YOVLNMVTBBYBBF-SFHVURJKSA-N 2 0 331.460 1.393 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414672907 319339301 /nfs/dbraw/zinc/33/93/01/319339301.db2.gz OHBUQOSZVUADFK-UHFFFAOYSA-N 2 0 332.448 1.119 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679921 319340975 /nfs/dbraw/zinc/34/09/75/319340975.db2.gz MFAOJJZAORYSEP-DLBZAZTESA-N 2 0 327.476 1.840 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000414683744 319341887 /nfs/dbraw/zinc/34/18/87/319341887.db2.gz ULIMEOCNCIJHSZ-QGZVFWFLSA-N 2 0 348.491 1.827 20 0 EDADRP COCC[N@H+](CCCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693448 319343350 /nfs/dbraw/zinc/34/33/50/319343350.db2.gz RMRMMSMXVVLUIN-IBGZPJMESA-N 2 0 347.503 1.765 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415220992 319353369 /nfs/dbraw/zinc/35/33/69/319353369.db2.gz FMBFRQMINUVZCE-AWEZNQCLSA-N 2 0 346.475 1.507 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000415810345 319372449 /nfs/dbraw/zinc/37/24/49/319372449.db2.gz WTXLRUSLNHVWIS-INIZCTEOSA-N 2 0 346.475 1.644 20 0 EDADRP COC(=O)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000269321298 443280415 /nfs/dbraw/zinc/28/04/15/443280415.db2.gz SCVZDXFPYHGBEN-UHFFFAOYSA-N 2 0 339.436 1.412 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000269278737 443264230 /nfs/dbraw/zinc/26/42/30/443264230.db2.gz ZEKJEEQEDKLZOZ-WMLDXEAASA-N 2 0 333.432 1.334 20 0 EDADRP CCC[NH2+]CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416803902 319461345 /nfs/dbraw/zinc/46/13/45/319461345.db2.gz COZRWCMUUUHEJM-UHFFFAOYSA-N 2 0 326.485 1.320 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@@H](C)O1 ZINC000416953243 319484465 /nfs/dbraw/zinc/48/44/65/319484465.db2.gz UDDSNHAYSRMQGY-HUUCEWRRSA-N 2 0 346.475 1.588 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418928834 319534925 /nfs/dbraw/zinc/53/49/25/319534925.db2.gz YDDPSWRHUMZYML-KBXCAEBGSA-N 2 0 340.512 1.247 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264784146 443423356 /nfs/dbraw/zinc/42/33/56/443423356.db2.gz SLAZZIXOHAHCPE-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000422737115 319735577 /nfs/dbraw/zinc/73/55/77/319735577.db2.gz HNCVYKIJQIHCOQ-HNNXBMFYSA-N 3 0 325.497 1.629 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423309157 319763212 /nfs/dbraw/zinc/76/32/12/319763212.db2.gz PKCCZNDYFZGVQK-OAHLLOKOSA-N 2 0 333.480 1.301 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423389161 319769758 /nfs/dbraw/zinc/76/97/58/319769758.db2.gz OBHYFQBIJWBAHO-AWEZNQCLSA-N 2 0 333.480 1.871 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000423410235 319773193 /nfs/dbraw/zinc/77/31/93/319773193.db2.gz CWKVJKOTSSGMDO-HOTGVXAUSA-N 2 0 340.512 1.153 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423422627 319774167 /nfs/dbraw/zinc/77/41/67/319774167.db2.gz BRVPJDSOODHMNL-HUUCEWRRSA-N 2 0 336.484 1.257 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000273078786 443532647 /nfs/dbraw/zinc/53/26/47/443532647.db2.gz XGNSJWIQAGZMTG-INIZCTEOSA-N 2 0 330.476 1.556 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423771653 319814627 /nfs/dbraw/zinc/81/46/27/319814627.db2.gz JRXBXXUVVKSPKO-LSDHHAIUSA-N 2 0 325.840 1.437 20 0 EDADRP CC1(C)C[N@H+](CC(=O)N2CCN(Cc3cccs3)CC2)C[C@@H]1O ZINC000279889911 443634873 /nfs/dbraw/zinc/63/48/73/443634873.db2.gz USNXJHBSVWBLIU-HNNXBMFYSA-N 2 0 337.489 1.095 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000438995193 320037452 /nfs/dbraw/zinc/03/74/52/320037452.db2.gz NFIUPKHTCPTHLF-GJZGRUSLSA-N 2 0 348.491 1.940 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCC2 ZINC000448855784 320162253 /nfs/dbraw/zinc/16/22/53/320162253.db2.gz ZVBBOIJXFYGYSN-INIZCTEOSA-N 2 0 333.480 1.317 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCCN1CCO ZINC000449395045 320188143 /nfs/dbraw/zinc/18/81/43/320188143.db2.gz PEEZNJFKLDTLJU-GOSISDBHSA-N 2 0 329.448 1.512 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000449746862 320204211 /nfs/dbraw/zinc/20/42/11/320204211.db2.gz UJOQHTJYERVOLM-UHFFFAOYSA-N 2 0 333.402 1.934 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000455446147 320303313 /nfs/dbraw/zinc/30/33/13/320303313.db2.gz VNLBPFCLLAPDMC-JYJNAYRXSA-N 2 0 340.512 1.467 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000458076548 320336168 /nfs/dbraw/zinc/33/61/68/320336168.db2.gz HVEOUDSTEGLQRY-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458698206 320338699 /nfs/dbraw/zinc/33/86/99/320338699.db2.gz AGUHSFAPHXNPMC-WBVHZDCISA-N 2 0 338.496 1.149 20 0 EDADRP CC[C@@H]1OCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000459270964 320345236 /nfs/dbraw/zinc/34/52/36/320345236.db2.gz BRQUMVFIPRLPMX-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000276302759 443685087 /nfs/dbraw/zinc/68/50/87/443685087.db2.gz YLJZRMLKNYGNOI-UHFFFAOYSA-N 2 0 346.519 1.848 20 0 EDADRP CCNC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000526134881 320499063 /nfs/dbraw/zinc/49/90/63/320499063.db2.gz AJPTTXUVKOXJKH-UHFFFAOYSA-N 2 0 349.479 1.393 20 0 EDADRP C[C@H]1OCCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276591623 443758735 /nfs/dbraw/zinc/75/87/35/443758735.db2.gz IOSNKZNPXNOVFK-SJLPKXTDSA-N 2 0 346.475 1.525 20 0 EDADRP CCC(CC)(CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000276661500 443782909 /nfs/dbraw/zinc/78/29/09/443782909.db2.gz PUYJEVNFWHRPRU-USXIJHARSA-N 2 0 333.476 1.735 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000288287480 443833327 /nfs/dbraw/zinc/83/33/27/443833327.db2.gz SRDFBERSUQYZDE-YJBOKZPZSA-N 2 0 348.491 1.393 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240409 320616700 /nfs/dbraw/zinc/61/67/00/320616700.db2.gz LOAGPRNAKVUGEA-IBGZPJMESA-N 2 0 345.487 1.702 20 0 EDADRP COCCCn1nccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248326 320617996 /nfs/dbraw/zinc/61/79/96/320617996.db2.gz IYZSWDROTSEBFN-GOSISDBHSA-N 2 0 336.480 1.510 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000298882170 443891851 /nfs/dbraw/zinc/89/18/51/443891851.db2.gz PANCKYBYPZATGY-LSDHHAIUSA-N 2 0 346.475 1.995 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000285146639 443873248 /nfs/dbraw/zinc/87/32/48/443873248.db2.gz SKJOKDYNCFHRBS-OAHLLOKOSA-N 2 0 348.491 1.211 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)c2ccc(-n3ccnc3)nc2)CC1 ZINC000299224468 443988218 /nfs/dbraw/zinc/98/82/18/443988218.db2.gz BMXLLIIZQVXBIX-UHFFFAOYSA-N 2 0 329.404 1.062 20 0 EDADRP Cn1nccc1CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285579366 444035846 /nfs/dbraw/zinc/03/58/46/444035846.db2.gz WVOUYPHKMOXDPX-UHFFFAOYSA-N 2 0 341.503 1.712 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(=O)[nH]c1 ZINC000299471396 444054609 /nfs/dbraw/zinc/05/46/09/444054609.db2.gz GOOITEQRPXTMNF-UHFFFAOYSA-N 2 0 341.415 1.124 20 0 EDADRP C[C@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000557241969 321001146 /nfs/dbraw/zinc/00/11/46/321001146.db2.gz SLLYTRMHBXWXLU-FUHWJXTLSA-N 2 0 346.475 1.281 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000561110446 321032940 /nfs/dbraw/zinc/03/29/40/321032940.db2.gz BSIYQJBVFONVPS-MSOLQXFVSA-N 2 0 346.475 1.501 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000561194862 321035758 /nfs/dbraw/zinc/03/57/58/321035758.db2.gz CGJTTYDGWDTLIH-CALCHBBNSA-N 2 0 338.496 1.412 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000561223812 321037523 /nfs/dbraw/zinc/03/75/23/321037523.db2.gz GIBFGJNHNXMLGU-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@H]1CCCN(C(C)(C)C[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000561412518 321040509 /nfs/dbraw/zinc/04/05/09/321040509.db2.gz KNOFGFFRNMWKOV-VNSJNIRKSA-N 2 0 336.480 1.607 20 0 EDADRP NS(=O)(=O)CCCN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285727451 444087584 /nfs/dbraw/zinc/08/75/84/444087584.db2.gz XISNBYUQACOETR-QGZVFWFLSA-N 2 0 337.489 1.263 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000562666898 321067855 /nfs/dbraw/zinc/06/78/55/321067855.db2.gz ANCSWIKCPVFHRG-IXDOHACOSA-N 2 0 338.496 1.100 20 0 EDADRP CCNC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959345 321083620 /nfs/dbraw/zinc/08/36/20/321083620.db2.gz BESFYHNNDQNSJN-GMBSWORKSA-N 2 0 344.459 1.636 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000563886024 321114514 /nfs/dbraw/zinc/11/45/14/321114514.db2.gz ZYVAIZPVYVSPQL-IAGOWNOFSA-N 2 0 346.475 1.170 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000564431523 321131451 /nfs/dbraw/zinc/13/14/51/321131451.db2.gz IWURFIPARWCBEZ-SJORKVTESA-N 2 0 346.475 1.052 20 0 EDADRP Cc1cc2c(cc1C)[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000564509349 321135052 /nfs/dbraw/zinc/13/50/52/321135052.db2.gz PMQYCECHJKCLQI-QGZVFWFLSA-N 2 0 333.476 1.731 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)COCc1ccccc1 ZINC000564854989 321151835 /nfs/dbraw/zinc/15/18/35/321151835.db2.gz VBDBHZTULBGDHK-UFYCRDLUSA-N 2 0 348.487 1.532 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000564856861 321152138 /nfs/dbraw/zinc/15/21/38/321152138.db2.gz ZAQYRGJPPWZVIW-CWRNSKLLSA-N 2 0 336.432 1.285 20 0 EDADRP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000565233465 321177427 /nfs/dbraw/zinc/17/74/27/321177427.db2.gz MHLDMOPUMCYRNW-SJLPKXTDSA-N 2 0 339.443 1.139 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000565416480 321185694 /nfs/dbraw/zinc/18/56/94/321185694.db2.gz RYXREMPTOLRWEW-FSZRXZPDSA-N 2 0 349.500 1.689 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[NH2+][C@H](C)C2)[NH+]2CCCC2)c1 ZINC000566057819 321212808 /nfs/dbraw/zinc/21/28/08/321212808.db2.gz XWVRDAXLVZACNY-CRAIPNDOSA-N 2 0 346.475 1.835 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000566104292 321214947 /nfs/dbraw/zinc/21/49/47/321214947.db2.gz HYBHAULIGNBMBA-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567047039 321240117 /nfs/dbraw/zinc/24/01/17/321240117.db2.gz GNJJXKVMPJJTDC-BQFCYCMXSA-N 2 0 337.508 1.628 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2OCC2CC2)CC1 ZINC000567691573 321253061 /nfs/dbraw/zinc/25/30/61/321253061.db2.gz ZULFXNMPDYVTDL-GOSISDBHSA-N 2 0 333.476 1.173 20 0 EDADRP [NH3+]C1(CNC(=O)C2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000567841823 321261764 /nfs/dbraw/zinc/26/17/64/321261764.db2.gz RCIDKFBIWBVEAK-UHFFFAOYSA-N 3 0 330.476 1.096 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921510 321331712 /nfs/dbraw/zinc/33/17/12/321331712.db2.gz VSDGGEVRPRPDGQ-ZBFHGGJFSA-N 2 0 329.444 1.982 20 0 EDADRP CS[C@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H]1[NH+](C)C ZINC000571267104 321381324 /nfs/dbraw/zinc/38/13/24/321381324.db2.gz WRBWXQWWAYHVRH-CVEARBPZSA-N 2 0 334.489 1.842 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2([NH3+])CCC2)[C@@H](c2ccccc2)C1 ZINC000571557321 321392456 /nfs/dbraw/zinc/39/24/56/321392456.db2.gz ZGMVARQGBVNHQO-QGZVFWFLSA-N 2 0 330.476 1.363 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@@H]2CCc3ccccc3N2)CC1 ZINC000571670675 321396226 /nfs/dbraw/zinc/39/62/26/321396226.db2.gz FPIZPNXWVHAULI-ROUUACIJSA-N 2 0 332.492 1.001 20 0 EDADRP C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000289338829 444112008 /nfs/dbraw/zinc/11/20/08/444112008.db2.gz IXFQFGWNBQPBJW-SUMWQHHRSA-N 2 0 333.432 1.749 20 0 EDADRP O=C1NCCN1CCN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000289348355 444113460 /nfs/dbraw/zinc/11/34/60/444113460.db2.gz FWVBUALBLOCILH-IBGZPJMESA-N 2 0 328.460 1.610 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C2CC2)nc1 ZINC000294614146 444129819 /nfs/dbraw/zinc/12/98/19/444129819.db2.gz QZWQBSOZBSFFKR-QGZVFWFLSA-N 2 0 345.491 1.842 20 0 EDADRP CC1CC[NH+](CCNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000574783864 321501448 /nfs/dbraw/zinc/50/14/48/321501448.db2.gz YMXYMGUPQNDBJN-OAHLLOKOSA-N 2 0 331.464 1.751 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000574874185 321505570 /nfs/dbraw/zinc/50/55/70/321505570.db2.gz LLGBYRHUIZBDSO-AEFFLSMTSA-N 2 0 345.491 1.756 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000289619397 444181871 /nfs/dbraw/zinc/18/18/71/444181871.db2.gz BBCXBHMGGZFCQI-MRXNPFEDSA-N 2 0 333.432 1.048 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000290245003 444258231 /nfs/dbraw/zinc/25/82/31/444258231.db2.gz VUJQZSDIFJVBID-RTBURBONSA-N 2 0 345.487 1.648 20 0 EDADRP C[C@H](CNc1cc(N2CCCC[C@H]2CO)ncn1)C[NH+]1CCCC1 ZINC000302919681 444232070 /nfs/dbraw/zinc/23/20/70/444232070.db2.gz YQRAZBAATKSKER-CVEARBPZSA-N 2 0 333.480 1.972 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000305711950 444274357 /nfs/dbraw/zinc/27/43/57/444274357.db2.gz YBWDTPDDAHXYLW-ZWKOTPCHSA-N 2 0 331.460 1.222 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000577753635 321680396 /nfs/dbraw/zinc/68/03/96/321680396.db2.gz WFYLVSSXSPTCMD-NRXGSXMXSA-N 2 0 347.434 1.942 20 0 EDADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C ZINC000307976449 444288559 /nfs/dbraw/zinc/28/85/59/444288559.db2.gz WDLPGTROXDBYDO-FUHWJXTLSA-N 2 0 347.507 1.600 20 0 EDADRP CC1(OCC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]C1 ZINC000310093190 444290838 /nfs/dbraw/zinc/29/08/38/444290838.db2.gz SQFIJZCFGMNREA-KRWDZBQOSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(C)(C)N1CC[NH2+]CC1 ZINC000310295645 444291119 /nfs/dbraw/zinc/29/11/19/444291119.db2.gz OUBZMVAQPYXIKE-MRXNPFEDSA-N 2 0 332.492 1.307 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000578320527 321756247 /nfs/dbraw/zinc/75/62/47/321756247.db2.gz ZZISMECALWFUHZ-RDJZCZTQSA-N 2 0 331.464 1.366 20 0 EDADRP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C1(C)C ZINC000578428505 321772187 /nfs/dbraw/zinc/77/21/87/321772187.db2.gz FTUGZFWAEURDSF-YESZJQIVSA-N 2 0 327.513 1.168 20 0 EDADRP C[C@@H]1CN(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000578490080 321782289 /nfs/dbraw/zinc/78/22/89/321782289.db2.gz HDACOYXGOLOUCM-NOVWEMISSA-N 2 0 338.496 1.241 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@H]1C ZINC000337721613 444373453 /nfs/dbraw/zinc/37/34/53/444373453.db2.gz PRBZDVDDFDYAQO-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000327238618 444381428 /nfs/dbraw/zinc/38/14/28/444381428.db2.gz MGQNDSAEZJWFLS-LJQANCHMSA-N 2 0 343.471 1.444 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(CS(C)(=O)=O)CC2)CC1(C)C ZINC000340380267 444382484 /nfs/dbraw/zinc/38/24/84/444382484.db2.gz JIPIBJPLTDAGIA-UHFFFAOYSA-N 2 0 345.553 1.205 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@H](C3CC3)[C@@H]3C[NH2+]CCO3)nc2)C1 ZINC000580062660 322003259 /nfs/dbraw/zinc/00/32/59/322003259.db2.gz PAVVHWDVURWGFC-ZIFCJYIRSA-N 2 0 345.491 1.401 20 0 EDADRP CCC1(CNC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCCC1 ZINC000580235872 322026689 /nfs/dbraw/zinc/02/66/89/322026689.db2.gz QXQNOXZJVPJPBN-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2OCC[NH2+][C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000581430352 322176918 /nfs/dbraw/zinc/17/69/18/322176918.db2.gz ZZAOPDGXHQKAEW-RCCFBDPRSA-N 2 0 331.460 1.486 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000581538547 322189158 /nfs/dbraw/zinc/18/91/58/322189158.db2.gz RBSOGUZHXQLIBC-MGMWPHTOSA-N 2 0 334.508 1.876 20 0 EDADRP CCN(CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1C ZINC000581997832 322242752 /nfs/dbraw/zinc/24/27/52/322242752.db2.gz CNOIOPPRYLKBPY-SFHVURJKSA-N 2 0 334.508 1.019 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000342202109 444561733 /nfs/dbraw/zinc/56/17/33/444561733.db2.gz HDGZQQZWVSPXDX-GBESFXJTSA-N 2 0 347.503 1.858 20 0 EDADRP C[C@@H](C[NH2+][C@@H](Cc1ccccn1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000338224274 444572438 /nfs/dbraw/zinc/57/24/38/444572438.db2.gz ZTXQBUBRTOBDEB-PXNSSMCTSA-N 2 0 339.487 1.986 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@H](O)C[C@@H]2C)CC1 ZINC000340916667 444574681 /nfs/dbraw/zinc/57/46/81/444574681.db2.gz UCYMTHALDKHFSG-PKOBYXMFSA-N 2 0 345.487 1.484 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)CCN1C1CC[NH+](C)CC1 ZINC000343710442 444536527 /nfs/dbraw/zinc/53/65/27/444536527.db2.gz LJFANEAZRHCGAU-HNNXBMFYSA-N 2 0 342.491 1.569 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc3c(c2)nnn3C)CCN1C1CC[NH+](C)CC1 ZINC000343710446 444536725 /nfs/dbraw/zinc/53/67/25/444536725.db2.gz LJFANEAZRHCGAU-OAHLLOKOSA-N 2 0 342.491 1.569 20 0 EDADRP C[C@@H]1C[NH+](C)CCN1Cc1ccccc1CN1CC[N@@H+](C)C[C@H]1C ZINC000343717453 444542874 /nfs/dbraw/zinc/54/28/74/444542874.db2.gz QZURDYDHYUQVMY-QZTJIDSGSA-N 2 0 330.520 1.958 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC1=O ZINC000343722021 444545267 /nfs/dbraw/zinc/54/52/67/444545267.db2.gz LHIBYCLFMHVWCH-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)N1CCSCC1 ZINC000343730278 444550856 /nfs/dbraw/zinc/55/08/56/444550856.db2.gz XSRFBMFJQDVNNW-INIZCTEOSA-N 2 0 344.569 1.156 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)n2)CC1 ZINC000332976312 444617538 /nfs/dbraw/zinc/61/75/38/444617538.db2.gz KQBYOHNFILXJED-HOTGVXAUSA-N 2 0 346.479 1.898 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000333260054 444651772 /nfs/dbraw/zinc/65/17/72/444651772.db2.gz ISGYSONTLDAWQJ-ZACQAIPSSA-N 2 0 331.464 1.506 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333387440 444662272 /nfs/dbraw/zinc/66/22/72/444662272.db2.gz OHRUASSEGWOEQU-UGFDZVJKSA-N 2 0 346.519 1.922 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000341169222 444707185 /nfs/dbraw/zinc/70/71/85/444707185.db2.gz QREYMLLOIXTBLE-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013591 444728120 /nfs/dbraw/zinc/72/81/20/444728120.db2.gz CMDSDEGUOZSSOU-FGTMMUONSA-N 2 0 340.556 1.980 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333733168 444693623 /nfs/dbraw/zinc/69/36/23/444693623.db2.gz WLWLKLNMMAVPOL-UKPHBRMFSA-N 2 0 334.439 1.522 20 0 EDADRP COC(=O)[C@](C)(O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336789381 444796043 /nfs/dbraw/zinc/79/60/43/444796043.db2.gz JEDWTMOLTMQNHU-LJQANCHMSA-N 2 0 346.471 1.899 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccncc1OCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000341397506 444811163 /nfs/dbraw/zinc/81/11/63/444811163.db2.gz WFOASRJONWQWHR-AWEZNQCLSA-N 2 0 349.479 1.304 20 0 EDADRP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C[C@H]1OC ZINC000344178708 444823884 /nfs/dbraw/zinc/82/38/84/444823884.db2.gz VTIFNSMSXCEILW-BZUAXINKSA-N 2 0 325.497 1.757 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2CC[NH+](C)CC2)CC1 ZINC000341429337 444825092 /nfs/dbraw/zinc/82/50/92/444825092.db2.gz KFAVJZLRWQBVCQ-UHFFFAOYSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](CC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[C@H]1CCSC1 ZINC000342719037 444832782 /nfs/dbraw/zinc/83/27/82/444832782.db2.gz BCJJFQUXILRKLQ-INIZCTEOSA-N 2 0 333.501 1.767 20 0 EDADRP CCN1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)[C@@H](C)C1 ZINC000344204915 444838171 /nfs/dbraw/zinc/83/81/71/444838171.db2.gz BHLAQWRVHRKRBE-ROUUACIJSA-N 2 0 346.523 1.309 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])CCC(=O)OC)C1 ZINC000342764511 444854733 /nfs/dbraw/zinc/85/47/33/444854733.db2.gz IONNNQBQHAIRRL-UONOGXRCSA-N 2 0 327.469 1.284 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[N@@H+]1C ZINC000336969345 444880371 /nfs/dbraw/zinc/88/03/71/444880371.db2.gz JKRRLYQUAOJSSP-ZACQAIPSSA-N 2 0 338.496 1.223 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)C1=O ZINC000337041372 444913890 /nfs/dbraw/zinc/91/38/90/444913890.db2.gz BKWREOXUQCRVMB-CVEARBPZSA-N 2 0 344.459 1.381 20 0 EDADRP CC(C)N(C)C(=O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000338942913 444947517 /nfs/dbraw/zinc/94/75/17/444947517.db2.gz ZCIURXMBHYXVRY-HOTGVXAUSA-N 2 0 325.497 1.674 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000344422456 444958881 /nfs/dbraw/zinc/95/88/81/444958881.db2.gz HCWUGBDNUWMBEC-RHSMWYFYSA-N 2 0 346.475 1.328 20 0 EDADRP O=C(C[N@@H+]1CC[C@@H](C2CCOCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000339129702 445047500 /nfs/dbraw/zinc/04/75/00/445047500.db2.gz MOGSOCNCRFIVEF-MRXNPFEDSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000343087959 445053317 /nfs/dbraw/zinc/05/33/17/445053317.db2.gz KWJNYBDVXXUMFH-OLMNPRSZSA-N 2 0 331.460 1.067 20 0 EDADRP O=C(C[NH2+][C@H]1CCCC[C@@H]1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000337422842 445073449 /nfs/dbraw/zinc/07/34/49/445073449.db2.gz RMVAIMXHIJNKGP-GJZGRUSLSA-N 2 0 345.434 1.869 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C1CCOCC1 ZINC000339194327 445082562 /nfs/dbraw/zinc/08/25/62/445082562.db2.gz SFTOIPZBEVVQQP-SJLPKXTDSA-N 2 0 339.524 1.924 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC3(CCN(C)C3=O)CC2)CC1 ZINC000337355244 445045465 /nfs/dbraw/zinc/04/54/65/445045465.db2.gz ANMQSVUYCXCSFO-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC[C@@H]2C(N)=O)c1 ZINC000342048944 445144526 /nfs/dbraw/zinc/14/45/26/445144526.db2.gz OFSSWFRMFHGITO-XOKHGSTOSA-N 2 0 344.459 1.273 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347050427 445230183 /nfs/dbraw/zinc/23/01/83/445230183.db2.gz NOLHZZSCUUEPAZ-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@@H]2C)C1 ZINC000347047086 445230209 /nfs/dbraw/zinc/23/02/09/445230209.db2.gz QWNXSAIJZJNQMZ-XHSDSOJGSA-N 2 0 326.485 1.269 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000347206078 445234235 /nfs/dbraw/zinc/23/42/35/445234235.db2.gz DZDSDMBJXPGVKQ-WBVHZDCISA-N 2 0 338.496 1.365 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000343504561 445235500 /nfs/dbraw/zinc/23/55/00/445235500.db2.gz GDYCYBMOOUWYHL-KBPBESRZSA-N 2 0 339.823 1.093 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000347666731 445244365 /nfs/dbraw/zinc/24/43/65/445244365.db2.gz JICWQDRPKXKHMK-YYIAUSFCSA-N 2 0 325.497 1.437 20 0 EDADRP COC(=O)CN(C)C(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347951990 445257630 /nfs/dbraw/zinc/25/76/30/445257630.db2.gz JMISKOYNQSQSHY-HUUCEWRRSA-N 2 0 339.480 1.251 20 0 EDADRP C[C@@H](CN1CCOCC1)[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348333393 445260117 /nfs/dbraw/zinc/26/01/17/445260117.db2.gz YOZIFGVIPYITPX-YSIASYRMSA-N 2 0 329.488 1.771 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1nc2ccccc2c(=O)[nH]1 ZINC000348552509 445324230 /nfs/dbraw/zinc/32/42/30/445324230.db2.gz LFDYMRUUZAMKSJ-UHFFFAOYSA-N 2 0 343.475 1.447 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3C[C@@H](C)[C@@H](O)C3)CC2)cc1 ZINC000351812187 445330424 /nfs/dbraw/zinc/33/04/24/445330424.db2.gz PBERSZCWHQJCOF-MJGOQNOKSA-N 2 0 345.487 1.342 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000351808795 445328345 /nfs/dbraw/zinc/32/83/45/445328345.db2.gz LPSBFJLNQRSTCO-RDJZCZTQSA-N 2 0 340.512 1.611 20 0 EDADRP [NH3+]CCOCC[NH+]1CCC(C(=O)NCCc2cccs2)CC1 ZINC000357071963 445407197 /nfs/dbraw/zinc/40/71/97/445407197.db2.gz CXGPPOMPJXAIDJ-UHFFFAOYSA-N 2 0 325.478 1.094 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]3C[NH+](C)C)cc2)CC1 ZINC000362497587 445412480 /nfs/dbraw/zinc/41/24/80/445412480.db2.gz IRHUGSIMTZSINL-LJQANCHMSA-N 2 0 344.503 1.995 20 0 EDADRP Cc1cc(=O)n2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)sc2n1 ZINC000357087301 445418640 /nfs/dbraw/zinc/41/86/40/445418640.db2.gz MRHAQCNUDZEITE-ZDUSSCGKSA-N 2 0 333.461 1.281 20 0 EDADRP COCCN(C)c1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cn1 ZINC000357046088 445392298 /nfs/dbraw/zinc/39/22/98/445392298.db2.gz IJXAAJZCCLYCGC-SFHVURJKSA-N 2 0 332.492 1.986 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000357050320 445395622 /nfs/dbraw/zinc/39/56/22/445395622.db2.gz MEQTYIQEEYULTC-PKOBYXMFSA-N 2 0 328.504 1.870 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359739909 445400511 /nfs/dbraw/zinc/40/05/11/445400511.db2.gz OCUCFQXNTYNNCE-RDJZCZTQSA-N 2 0 343.537 1.333 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@@H]1[NH+](C)C ZINC000362653587 445480034 /nfs/dbraw/zinc/48/00/34/445480034.db2.gz BQWCYWSXXMQYKQ-QAPCUYQASA-N 2 0 348.491 1.719 20 0 EDADRP C[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000349032578 445481924 /nfs/dbraw/zinc/48/19/24/445481924.db2.gz XNXRNOFPCNXEIP-MRXNPFEDSA-N 2 0 331.460 1.488 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362554421 445436760 /nfs/dbraw/zinc/43/67/60/445436760.db2.gz XALDKGQOWRGYPZ-OAHLLOKOSA-N 2 0 335.496 1.927 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000362563817 445441532 /nfs/dbraw/zinc/44/15/32/445441532.db2.gz CWWQGZSGTUOZIH-HUUCEWRRSA-N 2 0 331.464 1.435 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cncnc2)CC1 ZINC000348924123 445442313 /nfs/dbraw/zinc/44/23/13/445442313.db2.gz VCUYSJRRYPRMTJ-UHFFFAOYSA-N 2 0 333.480 1.537 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000355140359 445447274 /nfs/dbraw/zinc/44/72/74/445447274.db2.gz UAVOMUTZDUSIPK-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000355302943 445453251 /nfs/dbraw/zinc/45/32/51/445453251.db2.gz WEXVDPQSQGZRBU-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360026213 445534254 /nfs/dbraw/zinc/53/42/54/445534254.db2.gz XUJWQPCSGQTMGI-HUUCEWRRSA-N 2 0 336.480 1.561 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO)[NH+](C)C1CC1 ZINC000362812763 445561034 /nfs/dbraw/zinc/56/10/34/445561034.db2.gz DUJJIEWBACPHFL-HYVNUMGLSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000353338704 445589951 /nfs/dbraw/zinc/58/99/51/445589951.db2.gz PGBCTYCGBNXBIO-DFNIBXOVSA-N 2 0 331.508 1.743 20 0 EDADRP CCOc1cncc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000362868813 445588757 /nfs/dbraw/zinc/58/87/57/445588757.db2.gz PNFZREUGWPUVCF-UHFFFAOYSA-N 2 0 342.447 1.895 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353447962 445606491 /nfs/dbraw/zinc/60/64/91/445606491.db2.gz MWTLCMONWGZNLP-SJORKVTESA-N 2 0 342.491 1.944 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000356091122 445614875 /nfs/dbraw/zinc/61/48/75/445614875.db2.gz GQDHJSVBLDDUMV-KRWDZBQOSA-N 2 0 327.432 1.518 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353573749 445661978 /nfs/dbraw/zinc/66/19/78/445661978.db2.gz AFLHKKZEMSEFJA-GOSISDBHSA-N 3 0 333.480 1.227 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(CC[NH+](C)C)C3CC3)cc2)CC1 ZINC000356289272 445719260 /nfs/dbraw/zinc/71/92/60/445719260.db2.gz ALDUTDXKZFPVBK-UHFFFAOYSA-N 2 0 344.503 1.995 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000356219482 445681942 /nfs/dbraw/zinc/68/19/42/445681942.db2.gz FFIUYVGQZUFRHY-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[N@H+](C)CCN1C)CC(C)C ZINC000349760465 445669971 /nfs/dbraw/zinc/66/99/71/445669971.db2.gz XAMQVWXKOUUEQO-IRXDYDNUSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)C[C@H]2CC[N@H+](C)C2)C[C@@H](C)O1 ZINC000356306660 445727739 /nfs/dbraw/zinc/72/77/39/445727739.db2.gz VHFUTNALMZPAEY-OAGGEKHMSA-N 2 0 326.485 1.079 20 0 EDADRP CC[C@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+](CC)CC ZINC000353779816 445752479 /nfs/dbraw/zinc/75/24/79/445752479.db2.gz KKGPRXYTYBGBTP-ZWKOTPCHSA-N 2 0 338.540 1.735 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000356469310 445808247 /nfs/dbraw/zinc/80/82/47/445808247.db2.gz DZRCFOZJQNFSNS-SFHVURJKSA-N 2 0 346.475 1.513 20 0 EDADRP C[C@@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1=CC[NH+](C)CC1 ZINC000359012502 445887303 /nfs/dbraw/zinc/88/73/03/445887303.db2.gz XDPONMFYLPOHST-MRXNPFEDSA-N 2 0 339.528 1.162 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)c3ccnc(C[NH3+])c3)CC2)C[C@H](C)O1 ZINC000361610510 445846972 /nfs/dbraw/zinc/84/69/72/445846972.db2.gz NHOAWTKOIMPWPL-GJZGRUSLSA-N 2 0 346.475 1.502 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)c3ccnc(C[NH3+])c3)CCCC2)CC1 ZINC000361627357 445854729 /nfs/dbraw/zinc/85/47/29/445854729.db2.gz MTFIKUSDHQGEMR-UHFFFAOYSA-N 2 0 346.475 1.694 20 0 EDADRP C[C@H](CN1CCOCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372942262 445934031 /nfs/dbraw/zinc/93/40/31/445934031.db2.gz AQCZWUKTWBUKJR-QGZVFWFLSA-N 2 0 332.492 1.951 20 0 EDADRP CC(=O)NCCc1ccc([C@H](C)[NH2+]CC2CC[NH+](CCO)CC2)cc1 ZINC000356683448 445937267 /nfs/dbraw/zinc/93/72/67/445937267.db2.gz UBVRCAVUALWDQT-INIZCTEOSA-N 2 0 347.503 1.720 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000372882302 445901824 /nfs/dbraw/zinc/90/18/24/445901824.db2.gz SPZVOLFTQMVXBL-MJGOQNOKSA-N 2 0 342.487 1.409 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000372882300 445902768 /nfs/dbraw/zinc/90/27/68/445902768.db2.gz SPZVOLFTQMVXBL-HKUYNNGSSA-N 2 0 342.487 1.409 20 0 EDADRP Cc1ccncc1CCC[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000365915523 445904186 /nfs/dbraw/zinc/90/41/86/445904186.db2.gz LSLHGHCVLCKCHK-UHFFFAOYSA-N 2 0 337.489 1.869 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COc2ccccc2F)CC1 ZINC000582296752 325814816 /nfs/dbraw/zinc/81/48/16/325814816.db2.gz UVERJWIVGSKCGP-MRXNPFEDSA-N 2 0 339.455 1.181 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)C[C@H]1C ZINC000361752348 445916694 /nfs/dbraw/zinc/91/66/94/445916694.db2.gz WVYBTOSCGHTQGK-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP O=C1CC[C@@H]([NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)[C@H](C2CC[NH2+]CC2)N1 ZINC000582414627 325841320 /nfs/dbraw/zinc/84/13/20/325841320.db2.gz QHJPDNUNNJYVCU-VBEQINLCSA-N 2 0 349.519 1.818 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000582497678 325860247 /nfs/dbraw/zinc/86/02/47/325860247.db2.gz XXFZOUGBCDENKJ-KGLIPLIRSA-N 2 0 341.452 1.725 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364852144 445962708 /nfs/dbraw/zinc/96/27/08/445962708.db2.gz SFLNEAQSAZCODU-OWCLPIDISA-N 2 0 329.488 1.965 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2csc(CC[NH3+])n2)c2ccccc2O1 ZINC000369161279 445962887 /nfs/dbraw/zinc/96/28/87/445962887.db2.gz DTHVYFDUHCZSKK-LBPRGKRZSA-N 2 0 346.456 1.614 20 0 EDADRP COCC[C@]1(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]C1 ZINC000364850296 445963297 /nfs/dbraw/zinc/96/32/97/445963297.db2.gz KUVKNHDECYCRMY-YFHUEUNASA-N 2 0 325.497 1.485 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361832031 445988300 /nfs/dbraw/zinc/98/83/00/445988300.db2.gz YRDZTTYZVIXWTR-UHFFFAOYSA-N 2 0 348.491 1.843 20 0 EDADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000373073976 446008682 /nfs/dbraw/zinc/00/86/82/446008682.db2.gz IKNVDDBBLPAVMI-KZNAEPCWSA-N 2 0 325.497 1.487 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000583129100 326006689 /nfs/dbraw/zinc/00/66/89/326006689.db2.gz UEKCRVPZQQOIAX-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000583199192 326025123 /nfs/dbraw/zinc/02/51/23/326025123.db2.gz CGXDCQLPBNYJNI-SJORKVTESA-N 2 0 325.497 1.066 20 0 EDADRP CC[C@@H](C(=O)NCc1cccc(NC(=O)[C@H](CC)[NH+](C)C)c1)[NH+](C)C ZINC000359222267 446052080 /nfs/dbraw/zinc/05/20/80/446052080.db2.gz BKQLQJPBGOPMQY-IRXDYDNUSA-N 2 0 348.491 1.922 20 0 EDADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000583746889 326131113 /nfs/dbraw/zinc/13/11/13/326131113.db2.gz NCVMBWOOPQHZSR-QGZVFWFLSA-N 2 0 326.444 1.875 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCNC[C@H]2c2cccc(F)c2)CC1 ZINC000583861525 326153901 /nfs/dbraw/zinc/15/39/01/326153901.db2.gz KZMBUPQOCIQMKH-JCYILVPMSA-N 2 0 335.423 1.585 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)NCc2ccc(C)cc2)CC1 ZINC000583876728 326158493 /nfs/dbraw/zinc/15/84/93/326158493.db2.gz FAXLNOWDANJVMR-LJQANCHMSA-N 2 0 333.476 1.294 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1ccccc1CN1CCOCC1)C1CC1 ZINC000584108116 326200566 /nfs/dbraw/zinc/20/05/66/326200566.db2.gz NFAHMKXCBPGHCR-IBGZPJMESA-N 3 0 333.476 1.064 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000584236877 326226621 /nfs/dbraw/zinc/22/66/21/326226621.db2.gz BMHVAEVNSZFSGS-RDJZCZTQSA-N 2 0 325.497 1.759 20 0 EDADRP COC[C@@H]1CCCC[NH+](CC(O)C[N@H+]2CCCC[C@@H](COC)C2)C1 ZINC000373172449 446072400 /nfs/dbraw/zinc/07/24/00/446072400.db2.gz JBNOZIRSINOGMD-QZTJIDSGSA-N 2 0 342.524 1.844 20 0 EDADRP CCc1cccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000356858473 446076767 /nfs/dbraw/zinc/07/67/67/446076767.db2.gz XROLAXUMTPSTGI-QGZVFWFLSA-N 2 0 334.508 1.685 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@H](C)C1 ZINC000359284519 446121038 /nfs/dbraw/zinc/12/10/38/446121038.db2.gz HBUVZPWVUOMYFA-XHSDSOJGSA-N 2 0 340.512 1.164 20 0 EDADRP CC(C)C[N@@H+]1CCCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000370064675 446180403 /nfs/dbraw/zinc/18/04/03/446180403.db2.gz KFTJLAORYJPVJB-GOSISDBHSA-N 2 0 339.524 1.970 20 0 EDADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc(Br)c1 ZINC000359326450 446152789 /nfs/dbraw/zinc/15/27/89/446152789.db2.gz YBFYCYFDOZNCLA-VXGBXAGGSA-N 2 0 338.249 1.929 20 0 EDADRP CO[C@@H]1CCCC[C@@H]1NC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369789974 446155587 /nfs/dbraw/zinc/15/55/87/446155587.db2.gz JYNMFNOUSLZVHS-HYVNUMGLSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412577 446208474 /nfs/dbraw/zinc/20/84/74/446208474.db2.gz GWLGGGMYOLSHAG-YOEHRIQHSA-N 2 0 337.489 1.656 20 0 EDADRP C[C@@H]1CCN(Cc2nnnn2CC2CCOCC2)C[C@H]1n1ccnc1 ZINC000365454581 446214130 /nfs/dbraw/zinc/21/41/30/446214130.db2.gz BEZPINGNUQVKCL-GDBMZVCRSA-N 2 0 345.451 1.379 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@H]1CCCn2ccnc21)N1CCOCC1 ZINC000366492495 446236731 /nfs/dbraw/zinc/23/67/31/446236731.db2.gz GJYVIGCMHKKGED-HZPDHXFCSA-N 2 0 349.479 1.417 20 0 EDADRP C[C@H]1CN(C(=O)c2cnccc2N(C)C)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000370372856 446251863 /nfs/dbraw/zinc/25/18/63/446251863.db2.gz FIAHDRKSTMQZJN-RDJZCZTQSA-N 2 0 345.491 1.246 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365626594 446279782 /nfs/dbraw/zinc/27/97/82/446279782.db2.gz XSJNRJLKDJXJHV-SJORKVTESA-N 2 0 346.475 1.513 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000373743917 446321548 /nfs/dbraw/zinc/32/15/48/446321548.db2.gz YERZHWOISSPCIA-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)NC[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516670 446360400 /nfs/dbraw/zinc/36/04/00/446360400.db2.gz OHUZRCFNNVKCDF-WMZOPIPTSA-N 2 0 348.491 1.605 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000417543535 446363852 /nfs/dbraw/zinc/36/38/52/446363852.db2.gz LJFYWQXMAQTISI-QAPCUYQASA-N 2 0 347.507 1.184 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417545325 446364070 /nfs/dbraw/zinc/36/40/70/446364070.db2.gz JDUGZJKAYYLJSC-INIZCTEOSA-N 2 0 342.528 1.891 20 0 EDADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000365838822 446364495 /nfs/dbraw/zinc/36/44/95/446364495.db2.gz PFUOBOYUWNBXDW-SJORKVTESA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417575599 446365481 /nfs/dbraw/zinc/36/54/81/446365481.db2.gz GHOXPKLNMPWQKZ-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000417629259 446367470 /nfs/dbraw/zinc/36/74/70/446367470.db2.gz SBDLTPABPVHRKX-MAUKXSAKSA-N 2 0 348.466 1.912 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417615428 446367659 /nfs/dbraw/zinc/36/76/59/446367659.db2.gz XLPOBULFQVUMSD-OAHLLOKOSA-N 2 0 326.485 1.115 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000417843348 446375460 /nfs/dbraw/zinc/37/54/60/446375460.db2.gz VEQJATBRKAPFDK-RTBURBONSA-N 2 0 327.472 1.979 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](C(=O)NC2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000370781047 446438784 /nfs/dbraw/zinc/43/87/84/446438784.db2.gz OWKHKAHOSVSPHF-SJORKVTESA-N 2 0 330.476 1.722 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCN1CC[NH2+]CC1 ZINC000423177412 446446821 /nfs/dbraw/zinc/44/68/21/446446821.db2.gz DWISBLRXXFMLNZ-IEBWSBKVSA-N 3 0 330.476 1.127 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420282682 446449853 /nfs/dbraw/zinc/44/98/53/446449853.db2.gz BAEUMHJHUBFLKO-ROUUACIJSA-N 3 0 334.508 1.711 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417971043 446403824 /nfs/dbraw/zinc/40/38/24/446403824.db2.gz RFXAVIGWMFATEF-INIZCTEOSA-N 2 0 333.480 1.971 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000370723721 446404407 /nfs/dbraw/zinc/40/44/07/446404407.db2.gz XNKYJKRCYKCYIL-ROUUACIJSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417972863 446404537 /nfs/dbraw/zinc/40/45/37/446404537.db2.gz BUPLKIZNGNUGQJ-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417986987 446407890 /nfs/dbraw/zinc/40/78/90/446407890.db2.gz HJZYSYQYEDQPGE-JCGIZDLHSA-N 2 0 346.475 1.180 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417985504 446408454 /nfs/dbraw/zinc/40/84/54/446408454.db2.gz FKVMWLSSBFTDCU-QAETUUGQSA-N 2 0 334.508 1.890 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418001760 446412897 /nfs/dbraw/zinc/41/28/97/446412897.db2.gz XCWODZHDHLGINT-QGZVFWFLSA-N 2 0 348.491 1.380 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)C1CC[NH2+]CC1 ZINC000418014358 446416604 /nfs/dbraw/zinc/41/66/04/446416604.db2.gz OEGZCGYDOKQFLV-QAPCUYQASA-N 2 0 330.476 1.900 20 0 EDADRP CCn1ccnc1C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420303317 446465750 /nfs/dbraw/zinc/46/57/50/446465750.db2.gz CUEOIMKEEITJLG-IAGOWNOFSA-N 3 0 331.508 1.847 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420305290 446467654 /nfs/dbraw/zinc/46/76/54/446467654.db2.gz KBCYPWYWECQNOH-WJFTUGDTSA-N 2 0 344.503 1.465 20 0 EDADRP C[N@H+](CCN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000420311953 446475097 /nfs/dbraw/zinc/47/50/97/446475097.db2.gz HIMSPCBSIIGQST-IBGZPJMESA-N 2 0 330.520 1.736 20 0 EDADRP Cn1ccnc1C[N@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321069 446487098 /nfs/dbraw/zinc/48/70/98/446487098.db2.gz ZJXUOIKHDMBYJL-IRXDYDNUSA-N 3 0 331.508 1.754 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)NCCCN2CC[NH2+]CC2)CC1 ZINC000418296046 446488395 /nfs/dbraw/zinc/48/83/95/446488395.db2.gz ISPVTSFBACWRFI-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP C[NH2+]CCN(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000420336818 446505969 /nfs/dbraw/zinc/50/59/69/446505969.db2.gz LIEAQQHDMJOOCR-UHFFFAOYSA-N 2 0 336.505 1.325 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000423373561 446507019 /nfs/dbraw/zinc/50/70/19/446507019.db2.gz HJKHKNPMPJYHHW-UHFFFAOYSA-N 2 0 345.487 1.823 20 0 EDADRP COCc1cccc(CNC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000420337216 446507246 /nfs/dbraw/zinc/50/72/46/446507246.db2.gz NIRSCASWNMULGI-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420342974 446514622 /nfs/dbraw/zinc/51/46/22/446514622.db2.gz WIUPJZWVXLWHKM-IPELMVKDSA-N 2 0 345.487 1.828 20 0 EDADRP Cn1cc(C(=O)NCC[N@H+](C)C2CCCCC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423346309 446498334 /nfs/dbraw/zinc/49/83/34/446498334.db2.gz ZTCUNLBSKNRMSY-OAHLLOKOSA-N 2 0 347.507 1.881 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000418329641 446500985 /nfs/dbraw/zinc/50/09/85/446500985.db2.gz OUXHLUWRNURHHO-ZWKOTPCHSA-N 2 0 345.491 1.592 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000418480385 446559365 /nfs/dbraw/zinc/55/93/65/446559365.db2.gz CIMXAAHSOPEYEP-QLFBSQMISA-N 2 0 334.464 1.303 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000418489066 446562473 /nfs/dbraw/zinc/56/24/73/446562473.db2.gz NRLCSAMSTSBMHP-BBWFWOEESA-N 2 0 332.448 1.177 20 0 EDADRP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)N1CCc2ccccc21 ZINC000420389812 446565789 /nfs/dbraw/zinc/56/57/89/446565789.db2.gz PHQNRNJFGCEYRG-AEFFLSMTSA-N 2 0 341.455 1.276 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418371495 446517504 /nfs/dbraw/zinc/51/75/04/446517504.db2.gz RQCFUHXBGPTJAG-RYQLBKOJSA-N 2 0 346.475 1.582 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346093 446519089 /nfs/dbraw/zinc/51/90/89/446519089.db2.gz XJYNSEFNMCLGIN-JKSUJKDBSA-N 2 0 326.444 1.824 20 0 EDADRP COCC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC[NH2+]CC1 ZINC000423404077 446519875 /nfs/dbraw/zinc/51/98/75/446519875.db2.gz IIAQGRNSWYVCJN-MJGOQNOKSA-N 2 0 346.519 1.898 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000420347835 446523749 /nfs/dbraw/zinc/52/37/49/446523749.db2.gz ZLQZEFLQWZHHLE-UHFFFAOYSA-N 2 0 345.443 1.877 20 0 EDADRP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420348266 446523884 /nfs/dbraw/zinc/52/38/84/446523884.db2.gz KKVBUYVPNNBQTP-IEBWSBKVSA-N 2 0 344.503 1.022 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C2CC2)c1 ZINC000418399491 446529940 /nfs/dbraw/zinc/52/99/40/446529940.db2.gz LENMJXFUNUDEBL-QGZVFWFLSA-N 2 0 334.464 1.506 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000418414309 446535368 /nfs/dbraw/zinc/53/53/68/446535368.db2.gz RMQYIRAHUZNHIO-HIFRSBDPSA-N 2 0 333.436 1.049 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]([NH3+])C3CCC3)CC2)C[C@@H](C)O1 ZINC000423438872 446537292 /nfs/dbraw/zinc/53/72/92/446537292.db2.gz VOQUEIMJBCPYIM-IIDMSEBBSA-N 2 0 337.508 1.852 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433389181 446567356 /nfs/dbraw/zinc/56/73/56/446567356.db2.gz WVFAGKAVZULAPQ-LSDHHAIUSA-N 2 0 334.468 1.007 20 0 EDADRP C[C@H](O)C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433151982 446538836 /nfs/dbraw/zinc/53/88/36/446538836.db2.gz PKTIILAEUDREFM-WMZOPIPTSA-N 2 0 347.503 1.861 20 0 EDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000420359931 446539170 /nfs/dbraw/zinc/53/91/70/446539170.db2.gz LFOCIJAARPGBPJ-SMDDNHRTSA-N 2 0 340.265 1.907 20 0 EDADRP O=C(CC[N@@H+](Cc1ccc(F)cc1)C1CCOCC1)N1CC[NH2+]CC1 ZINC000420359785 446539938 /nfs/dbraw/zinc/53/99/38/446539938.db2.gz KUYQTNAXJHBDHU-UHFFFAOYSA-N 2 0 349.450 1.629 20 0 EDADRP O=C(CC[N@H+]1CCC[C@H](OCc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000420363078 446542429 /nfs/dbraw/zinc/54/24/29/446542429.db2.gz BDAISNWIEXMSFD-KRWDZBQOSA-N 2 0 349.450 1.629 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363677 446545053 /nfs/dbraw/zinc/54/50/53/446545053.db2.gz BUZQXDVFOYVJPV-QGZVFWFLSA-N 2 0 334.460 1.867 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCC(=O)N2)CC1 ZINC000433182277 446545957 /nfs/dbraw/zinc/54/59/57/446545957.db2.gz NFIWLCPOVYMPDS-QGZVFWFLSA-N 2 0 330.476 1.587 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418451117 446546859 /nfs/dbraw/zinc/54/68/59/446546859.db2.gz MHVZENACOSRLGI-SFHVURJKSA-N 2 0 326.444 1.899 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000418455186 446548430 /nfs/dbraw/zinc/54/84/30/446548430.db2.gz BISSREOWFOEGBZ-QGZVFWFLSA-N 2 0 340.512 1.648 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418455687 446550515 /nfs/dbraw/zinc/55/05/15/446550515.db2.gz HBDJLOSQYILTGN-ZIAGYGMSSA-N 2 0 333.436 1.049 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000418463975 446553836 /nfs/dbraw/zinc/55/38/36/446553836.db2.gz LTSZYAIHXHFFAB-MRXNPFEDSA-N 2 0 339.528 1.315 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)CC1 ZINC000375059963 446554107 /nfs/dbraw/zinc/55/41/07/446554107.db2.gz KZWKTBXFWQJTMT-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP Cn1nccc1CN1C[C@@H](F)C[C@H]1C[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420378950 446554537 /nfs/dbraw/zinc/55/45/37/446554537.db2.gz UUPFJDQGRXNIFC-WMZOPIPTSA-N 2 0 337.487 1.654 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418472078 446556204 /nfs/dbraw/zinc/55/62/04/446556204.db2.gz SAEUUICRUIEQEV-SQNIBIBYSA-N 2 0 348.491 1.439 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000418470468 446556595 /nfs/dbraw/zinc/55/65/95/446556595.db2.gz UYMAOZHPUJEBOX-YJBOKZPZSA-N 2 0 348.491 1.959 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000418609261 446614967 /nfs/dbraw/zinc/61/49/67/446614967.db2.gz CAFSQYAJJIPFFN-IAGOWNOFSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CC[NH+](C)C2)CCCO1 ZINC000433450341 446575355 /nfs/dbraw/zinc/57/53/55/446575355.db2.gz MPPZRIMJUFIPOB-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418535038 446583943 /nfs/dbraw/zinc/58/39/43/446583943.db2.gz CEMQJNSVAJORDC-UHFFFAOYSA-N 2 0 330.476 1.988 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418547558 446590038 /nfs/dbraw/zinc/59/00/38/446590038.db2.gz JFMHEURDPZKOGZ-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418569271 446597726 /nfs/dbraw/zinc/59/77/26/446597726.db2.gz HUUWWKBKXXUDQD-PLYYQAHHSA-N 2 0 348.466 1.816 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2COCCN2C2CCCC2)C[C@H]1c1ccccc1 ZINC000423604545 446600010 /nfs/dbraw/zinc/60/00/10/446600010.db2.gz GIPZUCPAEMQRLP-OTWHNJEPSA-N 2 0 343.471 1.583 20 0 EDADRP CC[C@@H](C(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000423638087 446620547 /nfs/dbraw/zinc/62/05/47/446620547.db2.gz DIDVPQUSFHXEMF-MOPGFXCFSA-N 2 0 344.503 1.403 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC[N@@H+]1CCOC ZINC000418600448 446609770 /nfs/dbraw/zinc/60/97/70/446609770.db2.gz KVMUCZYBYRSTDX-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP Cc1c[nH]nc1CNCc1c(C)nn(C)c1N1CCC[N@H+](C)CC1 ZINC000368093480 446637709 /nfs/dbraw/zinc/63/77/09/446637709.db2.gz RNNRLQFKUUCCSO-UHFFFAOYSA-N 2 0 331.468 1.192 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@H](CC[NH3+])C(F)F)C1 ZINC000418702363 446654962 /nfs/dbraw/zinc/65/49/62/446654962.db2.gz DMYTYJKHVHCCSN-CQSZACIVSA-N 2 0 326.391 1.495 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418728456 446656024 /nfs/dbraw/zinc/65/60/24/446656024.db2.gz GDIXCBRETVHVEP-GFCCVEGCSA-N 2 0 334.436 1.804 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)ccc1OCC[NH+](C)C ZINC000375256429 446675120 /nfs/dbraw/zinc/67/51/20/446675120.db2.gz QZOILBUVALYQTP-HNAYVOBHSA-N 2 0 347.459 1.251 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090270 446621012 /nfs/dbraw/zinc/62/10/12/446621012.db2.gz WUETYFZWHTZVGO-KDOFPFPSSA-N 2 0 328.460 1.957 20 0 EDADRP CC(C)COc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420447119 446623085 /nfs/dbraw/zinc/62/30/85/446623085.db2.gz CDRYTZCMNNBPRC-UHFFFAOYSA-N 2 0 343.493 1.410 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC[C@@H]2CCC[NH2+]2)cc1 ZINC000420449151 446625692 /nfs/dbraw/zinc/62/56/92/446625692.db2.gz STSIMLDPLPAZBO-HNNXBMFYSA-N 2 0 325.478 1.559 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418645002 446630776 /nfs/dbraw/zinc/63/07/76/446630776.db2.gz VQKMGNVHNREPME-WMZOPIPTSA-N 2 0 330.476 1.999 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418646926 446630863 /nfs/dbraw/zinc/63/08/63/446630863.db2.gz XOBSMTLFOFJULK-KRWDZBQOSA-N 2 0 325.416 1.102 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418771977 446690192 /nfs/dbraw/zinc/69/01/92/446690192.db2.gz PSDIGZSVLLJPDZ-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000418780785 446698995 /nfs/dbraw/zinc/69/89/95/446698995.db2.gz CGFVWOZECRSSQJ-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCc2cn[nH]c21 ZINC000371224685 446699819 /nfs/dbraw/zinc/69/98/19/446699819.db2.gz ATEXXAYSPYYQJO-MRXNPFEDSA-N 2 0 335.496 1.562 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000376760262 446703701 /nfs/dbraw/zinc/70/37/01/446703701.db2.gz JNBWFXDUOKJXRQ-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP CN(C[C@H]1CCC[NH+]1C)c1cncc(N(C)C[C@H]2CCC[N@@H+]2C)n1 ZINC000420632768 446712411 /nfs/dbraw/zinc/71/24/11/446712411.db2.gz IBGNIAJBJKGWON-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP CC(C)(C)SCC[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375334457 446730266 /nfs/dbraw/zinc/73/02/66/446730266.db2.gz CIDSTTYANRCCDG-UHFFFAOYSA-N 2 0 329.554 1.858 20 0 EDADRP O[C@@H](CC1CCCC1)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338241 446734107 /nfs/dbraw/zinc/73/41/07/446734107.db2.gz XFSDJQDUJBDERE-IBGZPJMESA-N 2 0 339.524 1.268 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCCC2)CC1 ZINC000411825347 446684363 /nfs/dbraw/zinc/68/43/63/446684363.db2.gz XWUBEJQJBJIVJR-SFHVURJKSA-N 2 0 339.524 1.754 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418858043 446756688 /nfs/dbraw/zinc/75/66/88/446756688.db2.gz IJFUHBAFMLHKCW-SJORKVTESA-N 2 0 346.475 1.011 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368373120 446820636 /nfs/dbraw/zinc/82/06/36/446820636.db2.gz FAXMTFGAGPSMDJ-LZLYRXPVSA-N 2 0 331.435 1.858 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424016096 446823329 /nfs/dbraw/zinc/82/33/29/446823329.db2.gz BINFOEQOTFYAIM-UHFFFAOYSA-N 3 0 332.492 1.436 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018540 446825029 /nfs/dbraw/zinc/82/50/29/446825029.db2.gz JQASDWSMTDUEJV-QZTJIDSGSA-N 3 0 344.503 1.484 20 0 EDADRP [NH3+]C1(CNC(=O)CCOCC2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000424019071 446825625 /nfs/dbraw/zinc/82/56/25/446825625.db2.gz KUDYRSJAVUTGAT-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP [NH3+]CCCCNC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000419001785 446859210 /nfs/dbraw/zinc/85/92/10/446859210.db2.gz BLHWBJZNSVCISU-UHFFFAOYSA-N 2 0 346.475 1.144 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424139530 446859775 /nfs/dbraw/zinc/85/97/75/446859775.db2.gz VNGDMKPRMQMHPP-INIZCTEOSA-N 2 0 346.479 1.339 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476987 446879504 /nfs/dbraw/zinc/87/95/04/446879504.db2.gz KUFIEGNUNJRTNR-XGXHKWSGSA-N 2 0 342.487 1.900 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)c3ccc(C[NH3+])cc3)CCC[N@@H+]2C)cn1 ZINC000368478500 446886519 /nfs/dbraw/zinc/88/65/19/446886519.db2.gz SLFYOUKZAREBRV-SJLPKXTDSA-N 2 0 341.459 1.692 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CC[N@H+]1C ZINC000412231422 446906439 /nfs/dbraw/zinc/90/64/39/446906439.db2.gz PVSHVGVMGDRRNO-YCPHGPKFSA-N 2 0 325.522 1.755 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@H]1C(=[NH2+])NO)c1ccccc1 ZINC000368527981 446922689 /nfs/dbraw/zinc/92/26/89/446922689.db2.gz XUGOZMNTIWPBJX-JKSUJKDBSA-N 2 0 347.463 1.216 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)CC(C)C ZINC000419126081 446938465 /nfs/dbraw/zinc/93/84/65/446938465.db2.gz LVFXSOZDCHHXGZ-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP C[N@H+](C[C@@H]1CCS(=O)(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375730535 447007870 /nfs/dbraw/zinc/00/78/70/447007870.db2.gz JRHVCLWYMZFQTN-INIZCTEOSA-N 2 0 337.489 1.665 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)COCC(C)C)CC2)CC1 ZINC000421006485 446981011 /nfs/dbraw/zinc/98/10/11/446981011.db2.gz KBSCOGGAXASSGF-LJQANCHMSA-N 2 0 341.540 1.512 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000419166863 446983843 /nfs/dbraw/zinc/98/38/43/446983843.db2.gz HTLWIOSVXQWAES-XHSDSOJGSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000372065126 446984805 /nfs/dbraw/zinc/98/48/05/446984805.db2.gz NKEPPEGEWXLKLA-KURKYZTESA-N 2 0 339.524 1.576 20 0 EDADRP COC(=O)CN1CCC([NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000368638626 446997295 /nfs/dbraw/zinc/99/72/95/446997295.db2.gz ZUSAKAPLZKGPHU-YLJYHZDGSA-N 2 0 345.487 1.906 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000443062341 447001281 /nfs/dbraw/zinc/00/12/81/447001281.db2.gz ULWDUGJNUPAQML-ROUUACIJSA-N 2 0 344.503 1.690 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000443059572 447001676 /nfs/dbraw/zinc/00/16/76/447001676.db2.gz NDHKWFRDYYFCOZ-KRWDZBQOSA-N 2 0 345.491 1.181 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000413300661 447124570 /nfs/dbraw/zinc/12/45/70/447124570.db2.gz VOJOWTLGULMHFY-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])c1ccsc1 ZINC000419378523 447139157 /nfs/dbraw/zinc/13/91/57/447139157.db2.gz VSSVEZZNOHPMBH-OCCSQVGLSA-N 2 0 340.493 1.101 20 0 EDADRP CC(C)COC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907260 447139936 /nfs/dbraw/zinc/13/99/36/447139936.db2.gz XRQMWXDATBCKMB-MSOLQXFVSA-N 2 0 327.513 1.120 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCC[C@@H](C)C1 ZINC000419410107 447158461 /nfs/dbraw/zinc/15/84/61/447158461.db2.gz AIDYOWGNVKRCNO-WCXIOVBPSA-N 2 0 340.512 1.203 20 0 EDADRP CCC[C@@]1(CO)CC[NH+](CC(O)C[N@H+]2CC[C@](CO)(CCC)C2)C1 ZINC000377543897 447192562 /nfs/dbraw/zinc/19/25/62/447192562.db2.gz OHNMLANYFWRXBK-RTBURBONSA-N 2 0 342.524 1.316 20 0 EDADRP O=C(C[NH2+][C@H](c1cccnc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000445811463 447196661 /nfs/dbraw/zinc/19/66/61/447196661.db2.gz RPGQGPOXYUFKBY-IBGZPJMESA-N 2 0 328.460 1.865 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000419484283 447214661 /nfs/dbraw/zinc/21/46/61/447214661.db2.gz SVTLGTBWRLQHBI-OWCLPIDISA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419485370 447216506 /nfs/dbraw/zinc/21/65/06/447216506.db2.gz VIWDQINWIGWDAH-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000377579367 447219936 /nfs/dbraw/zinc/21/99/36/447219936.db2.gz CSMMODYJWDUBBF-CVEARBPZSA-N 2 0 343.431 1.039 20 0 EDADRP COC1([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCCC1 ZINC000421852971 447262809 /nfs/dbraw/zinc/26/28/09/447262809.db2.gz IJJNXYZWFVSINV-QGZVFWFLSA-N 2 0 339.524 1.720 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)cn1C ZINC000377648713 447270695 /nfs/dbraw/zinc/27/06/95/447270695.db2.gz LKKMLKVCFODQKD-DJIMGWMZSA-N 2 0 349.475 1.791 20 0 EDADRP CCc1cc(N2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)cc[nH+]1 ZINC000450314942 447452210 /nfs/dbraw/zinc/45/22/10/447452210.db2.gz VSYYDXGBVIWUOG-IBGZPJMESA-N 2 0 332.492 1.875 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000415469479 447460399 /nfs/dbraw/zinc/46/03/99/447460399.db2.gz XLHGHFLMYGOBCR-RDJZCZTQSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1CN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000458702742 447456822 /nfs/dbraw/zinc/45/68/22/447456822.db2.gz SDNCVGRCYKPIAO-IYBDPMFKSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000450352573 447464157 /nfs/dbraw/zinc/46/41/57/447464157.db2.gz ZBUXKPYMINDBDB-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)O ZINC000419876145 447465153 /nfs/dbraw/zinc/46/51/53/447465153.db2.gz ORPLXPNBCGXLOR-NVXWUHKLSA-N 2 0 334.464 1.117 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419932425 447498064 /nfs/dbraw/zinc/49/80/64/447498064.db2.gz DOGCFAQBFYOVTA-OAHLLOKOSA-N 2 0 348.491 1.068 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000419948451 447508427 /nfs/dbraw/zinc/50/84/27/447508427.db2.gz FRPMWCNORKIHKK-HNNXBMFYSA-N 2 0 328.501 1.053 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCCCC[NH2+]1 ZINC000391033980 447510014 /nfs/dbraw/zinc/51/00/14/447510014.db2.gz XVSYBLXBBKIQLE-RTBURBONSA-N 2 0 345.487 1.926 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000419963142 447516886 /nfs/dbraw/zinc/51/68/86/447516886.db2.gz UPJCSWYAVPFFRZ-HNNXBMFYSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000427347417 447584257 /nfs/dbraw/zinc/58/42/57/447584257.db2.gz OIRCBRPMOYDZFK-JFIYKMOQSA-N 2 0 337.508 1.819 20 0 EDADRP CSC1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC[NH+](C)CC1 ZINC000416037559 447530705 /nfs/dbraw/zinc/53/07/05/447530705.db2.gz BXZFYMDISSWREQ-JTQLQIEISA-N 2 0 342.431 1.393 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC(C)(C)C[NH+](C)C)cc2)CC1 ZINC000457204601 447540727 /nfs/dbraw/zinc/54/07/27/447540727.db2.gz JSOLPVFVNCWGTI-UHFFFAOYSA-N 2 0 332.492 1.899 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000398192911 447555897 /nfs/dbraw/zinc/55/58/97/447555897.db2.gz ZYOPEHHUYDJMGL-KPFFTGBYSA-N 2 0 345.487 1.639 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000457823490 447641509 /nfs/dbraw/zinc/64/15/09/447641509.db2.gz XRPWQTOGMGEFLZ-CVEARBPZSA-N 2 0 328.501 1.109 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000416829049 447693671 /nfs/dbraw/zinc/69/36/71/447693671.db2.gz SVVXMRSGEXCSEF-YOEHRIQHSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000457943902 447680658 /nfs/dbraw/zinc/68/06/58/447680658.db2.gz SWRNYYUAWKRUGB-VQHPVUNQSA-N 2 0 340.512 1.203 20 0 EDADRP COCC1(CNc2cc(N3CC[C@H]([C@H](C)O)C3)ncn2)CC[NH2+]CC1 ZINC000420240433 447682637 /nfs/dbraw/zinc/68/26/37/447682637.db2.gz LZMYRXPMXADBRX-GJZGRUSLSA-N 2 0 349.479 1.112 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C[N@@H+]1CCO ZINC000416759188 447685222 /nfs/dbraw/zinc/68/52/22/447685222.db2.gz MIWKGTPQUDGTTQ-CABCVRRESA-N 2 0 334.464 1.667 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000416808770 447689637 /nfs/dbraw/zinc/68/96/37/447689637.db2.gz HMYNHHZUSHQEPX-DLBZAZTESA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@H](C)O1 ZINC000416936509 447715215 /nfs/dbraw/zinc/71/52/15/447715215.db2.gz BUHZFNPJUXESHM-HLLBOEOZSA-N 2 0 340.512 1.693 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715428 447725467 /nfs/dbraw/zinc/72/54/67/447725467.db2.gz MCNUYNWLKXXLJF-ROUUACIJSA-N 2 0 339.455 1.543 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H](C)CCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000416955288 447726392 /nfs/dbraw/zinc/72/63/92/447726392.db2.gz MEBPBACUDNORPQ-HOTGVXAUSA-N 2 0 327.517 1.075 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000422724625 447730169 /nfs/dbraw/zinc/73/01/69/447730169.db2.gz WGFAKCWAOAVJRF-PKOBYXMFSA-N 2 0 333.476 1.615 20 0 EDADRP C[C@H]([C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422733076 447731987 /nfs/dbraw/zinc/73/19/87/447731987.db2.gz ARYDAJSSJUFSNA-IXIUHKBRSA-N 2 0 345.487 1.941 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000422738569 447734262 /nfs/dbraw/zinc/73/42/62/447734262.db2.gz JVVXEMBHEAHPPU-RHSMWYFYSA-N 2 0 339.505 1.731 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000459696338 447743010 /nfs/dbraw/zinc/74/30/10/447743010.db2.gz DNHKRCZBLXDUHO-LJQANCHMSA-N 2 0 333.476 1.148 20 0 EDADRP CN(c1ccccc1C[N@@H+]1C[C@H](O)[C@@H](CO)C1)C1CC[NH+](C)CC1 ZINC000459711179 447748255 /nfs/dbraw/zinc/74/82/55/447748255.db2.gz QSENWFVHOKWVTI-APWZRJJASA-N 2 0 333.476 1.002 20 0 EDADRP NC(=O)COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422791288 447750936 /nfs/dbraw/zinc/75/09/36/447750936.db2.gz QDHGRICKTYBAQV-RCCFBDPRSA-N 2 0 331.460 1.951 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458333253 447771482 /nfs/dbraw/zinc/77/14/82/447771482.db2.gz AVXVKGOYTNQAOD-ZACQAIPSSA-N 2 0 340.512 1.395 20 0 EDADRP CN(C[C@@](C)(O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000496425305 447777984 /nfs/dbraw/zinc/77/79/84/447777984.db2.gz OVHYVRDOQPNCNA-YJBOKZPZSA-N 2 0 343.512 1.878 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422952538 447779590 /nfs/dbraw/zinc/77/95/90/447779590.db2.gz CVANQFQDWJROFI-AWEZNQCLSA-N 2 0 338.883 1.706 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422951853 447779599 /nfs/dbraw/zinc/77/95/99/447779599.db2.gz AJXUYQDCKHITMM-ZIAGYGMSSA-N 2 0 338.883 1.704 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422951852 447779731 /nfs/dbraw/zinc/77/97/31/447779731.db2.gz AJXUYQDCKHITMM-UONOGXRCSA-N 2 0 338.883 1.704 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)Cn2ccnc2C)CC[NH2+]CC1 ZINC000422957843 447780633 /nfs/dbraw/zinc/78/06/33/447780633.db2.gz OGSBSGAPAKROCH-GJZGRUSLSA-N 2 0 336.480 1.739 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000422959805 447781488 /nfs/dbraw/zinc/78/14/88/447781488.db2.gz UOUCJBRAXNZMGM-DEYYWGMASA-N 2 0 347.459 1.533 20 0 EDADRP COc1cc(NC(=O)CC[NH+]2CCC([NH3+])CC2)cc(OC)c1OC ZINC000430595010 447782436 /nfs/dbraw/zinc/78/24/36/447782436.db2.gz SXJHBMARPCEAGY-UHFFFAOYSA-N 2 0 337.420 1.464 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)CC1 ZINC000422964461 447783041 /nfs/dbraw/zinc/78/30/41/447783041.db2.gz LSNZPIOPRDNJPN-HOCLYGCPSA-N 2 0 331.526 1.557 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@H](OC)C2(C)C)CC[NH2+]CC1 ZINC000423012464 447790965 /nfs/dbraw/zinc/79/09/65/447790965.db2.gz DCHISALPJIUCED-BARDWOONSA-N 2 0 326.481 1.957 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047841 447797345 /nfs/dbraw/zinc/79/73/45/447797345.db2.gz HHAMXIKNHUIPOE-IACUBPJLSA-N 2 0 347.381 1.907 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])s1 ZINC000423104991 447805895 /nfs/dbraw/zinc/80/58/95/447805895.db2.gz HYJOPRZJSHEBDV-WRWGMCAJSA-N 2 0 325.482 1.781 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423113547 447807653 /nfs/dbraw/zinc/80/76/53/447807653.db2.gz YLWVSJSSOIYFHU-YPMHNXCESA-N 2 0 333.354 1.879 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000530307159 447857288 /nfs/dbraw/zinc/85/72/88/447857288.db2.gz ZSTDFQJVEYQHQA-GOSISDBHSA-N 2 0 328.460 1.672 20 0 EDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728585 447860649 /nfs/dbraw/zinc/86/06/49/447860649.db2.gz VRSCHMWEVFNHFA-MSOLQXFVSA-N 2 0 341.496 1.680 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574957 447864897 /nfs/dbraw/zinc/86/48/97/447864897.db2.gz TXYRIOCTCCULIF-YDRHNJASSA-N 2 0 334.508 1.841 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000490436337 447893156 /nfs/dbraw/zinc/89/31/56/447893156.db2.gz FQDPCZUMJLZUBO-OAHLLOKOSA-N 2 0 331.526 1.464 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000575780208 447897142 /nfs/dbraw/zinc/89/71/42/447897142.db2.gz FNWDIUYTYNBNFP-ROKHWSDSSA-N 2 0 348.413 1.924 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1OC(F)(F)F ZINC000570077124 447944334 /nfs/dbraw/zinc/94/43/34/447944334.db2.gz CGUIPNDIYCQLHZ-NSHDSACASA-N 2 0 331.338 1.668 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1)N1CC(C)C1 ZINC000552844475 447959192 /nfs/dbraw/zinc/95/91/92/447959192.db2.gz XXYOREBRHRBYEN-FUHWJXTLSA-N 2 0 331.460 1.344 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000496843411 447961229 /nfs/dbraw/zinc/96/12/29/447961229.db2.gz AVCSNUQCJKIBPU-IIAWOOMASA-N 2 0 325.453 1.258 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)sc2C1 ZINC000575900113 447925242 /nfs/dbraw/zinc/92/52/42/447925242.db2.gz DZPBKUTYFXUXJH-NHYWBVRUSA-N 2 0 328.441 1.785 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496886157 448001794 /nfs/dbraw/zinc/00/17/94/448001794.db2.gz AIKQYRZDGJSZQQ-YOEHRIQHSA-N 2 0 335.448 1.949 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000570427970 448012118 /nfs/dbraw/zinc/01/21/18/448012118.db2.gz KCBIYABIBLQIDC-UHFFFAOYSA-N 2 0 331.464 1.597 20 0 EDADRP CC(C)C[C@@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000531294582 448056543 /nfs/dbraw/zinc/05/65/43/448056543.db2.gz OWZLYRHRHMQGAL-AZUAARDMSA-N 2 0 347.503 1.716 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000571071538 448105336 /nfs/dbraw/zinc/10/53/36/448105336.db2.gz SGOYAKIAFWPLMM-KRWDZBQOSA-N 2 0 340.512 1.110 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000502757296 448105935 /nfs/dbraw/zinc/10/59/35/448105935.db2.gz ZVIJPBQNVBTCDA-JYJNAYRXSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531570049 448108007 /nfs/dbraw/zinc/10/80/07/448108007.db2.gz TUNKJUAPZCBXDI-XFQXTVEOSA-N 2 0 343.471 1.222 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000491845701 448139104 /nfs/dbraw/zinc/13/91/04/448139104.db2.gz JWQAURSEWORVFY-POHAHGRESA-N 2 0 344.459 1.521 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/C1CCOCC1 ZINC000491882834 448142623 /nfs/dbraw/zinc/14/26/23/448142623.db2.gz KOQFVRMUHRKREN-DVBCCOPCSA-N 2 0 337.508 1.844 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000571419391 448152966 /nfs/dbraw/zinc/15/29/66/448152966.db2.gz XUSXIOFLZOJMNB-AWEZNQCLSA-N 2 0 343.431 1.509 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)c1 ZINC000576888608 448164340 /nfs/dbraw/zinc/16/43/40/448164340.db2.gz PLWBJHWMNBUTLH-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CN1C1CC1 ZINC000532210306 448216165 /nfs/dbraw/zinc/21/61/65/448216165.db2.gz ULCJVJWRQPEYRF-CRAIPNDOSA-N 2 0 343.471 1.874 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000562763023 448268820 /nfs/dbraw/zinc/26/88/20/448268820.db2.gz GQVQAKQJMCWJKN-CQSZACIVSA-N 2 0 334.468 1.661 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000577362449 448274857 /nfs/dbraw/zinc/27/48/57/448274857.db2.gz PFNOKMBRNHHYRU-HXUWFJFHSA-N 3 0 348.535 1.226 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000591459411 448371925 /nfs/dbraw/zinc/37/19/25/448371925.db2.gz GYNRRVNMWWYNRV-MSOLQXFVSA-N 2 0 333.476 1.764 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000577759277 448382213 /nfs/dbraw/zinc/38/22/13/448382213.db2.gz YSMPMGCZBFFPJS-PKOBYXMFSA-N 2 0 331.460 1.252 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000577861429 448406024 /nfs/dbraw/zinc/40/60/24/448406024.db2.gz ZTIDGCSLDGPYTI-IAGOWNOFSA-N 2 0 336.524 1.486 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000583079394 448418295 /nfs/dbraw/zinc/41/82/95/448418295.db2.gz RKPSOAMFQQMRDT-SFHVURJKSA-N 2 0 349.475 1.706 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCC[NH2+]CC3)C2)CC1 ZINC000572599712 448418328 /nfs/dbraw/zinc/41/83/28/448418328.db2.gz KUGCSVFOMCQHED-QZTJIDSGSA-N 2 0 336.524 1.393 20 0 EDADRP CNC(=O)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(F)cc1C ZINC000577953433 448425166 /nfs/dbraw/zinc/42/51/66/448425166.db2.gz TUEIXKHTYWWZIP-NAZJXLNTSA-N 2 0 333.451 1.911 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(Cc3ccsc3)CC2)C1 ZINC000577995589 448434519 /nfs/dbraw/zinc/43/45/19/448434519.db2.gz CCNNGHXHGMHARU-OAHLLOKOSA-N 2 0 336.505 1.063 20 0 EDADRP CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1CC([NH3+])C1 ZINC000572720241 448447840 /nfs/dbraw/zinc/44/78/40/448447840.db2.gz LQMWPMUQXALBEN-UHFFFAOYSA-N 2 0 330.476 1.537 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000566352574 448452122 /nfs/dbraw/zinc/45/21/22/448452122.db2.gz SGISQFNDWCVEDD-SJORKVTESA-N 2 0 338.496 1.135 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000516645255 448454313 /nfs/dbraw/zinc/45/43/13/448454313.db2.gz QOKYMYQQUWUFBP-VQTJNVASSA-N 2 0 333.520 1.972 20 0 EDADRP CCCNC(=O)CCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC ZINC000566426601 448467854 /nfs/dbraw/zinc/46/78/54/448467854.db2.gz VGMZXZYRKHNZJV-SJPCQFCGSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)N1CCc2sccc2C1 ZINC000572855471 448482558 /nfs/dbraw/zinc/48/25/58/448482558.db2.gz ZQJLWOBXDYSYJU-UONOGXRCSA-N 2 0 336.505 1.794 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)Cn2cnc3c2CCCC3)CC1 ZINC000584346823 448491367 /nfs/dbraw/zinc/49/13/67/448491367.db2.gz GFKAATWRHMVYCC-UHFFFAOYSA-N 2 0 334.464 1.331 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000578321183 448514544 /nfs/dbraw/zinc/51/45/44/448514544.db2.gz YMGZVYORGZJBMG-NVXWUHKLSA-N 2 0 331.464 1.269 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000578333461 448519793 /nfs/dbraw/zinc/51/97/93/448519793.db2.gz RPFNOIDASNMHAN-BZUAXINKSA-N 2 0 326.485 1.031 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000517019460 448523806 /nfs/dbraw/zinc/52/38/06/448523806.db2.gz GDBARKAQCVORSR-RYQLBKOJSA-N 2 0 330.476 1.855 20 0 EDADRP O[C@]1(C(F)F)CC[NH+](CCCC[N@H+]2CC[C@](O)(C(F)F)C2)C1 ZINC000578485263 448557119 /nfs/dbraw/zinc/55/71/19/448557119.db2.gz MUWRUFLDLLTZTA-ZIAGYGMSSA-N 2 0 328.350 1.170 20 0 EDADRP Cc1c2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2nn1C ZINC000578410466 448536139 /nfs/dbraw/zinc/53/61/39/448536139.db2.gz GEMGCWMLSYKEGP-UHFFFAOYSA-N 2 0 346.479 1.839 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000517173182 448548511 /nfs/dbraw/zinc/54/85/11/448548511.db2.gz RCZMYGQKDOXYSR-UHFFFAOYSA-N 2 0 336.436 1.243 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000584519468 448553806 /nfs/dbraw/zinc/55/38/06/448553806.db2.gz OUHYKWPGOCEIHG-HYVNUMGLSA-N 2 0 332.448 1.019 20 0 EDADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000584589449 448581523 /nfs/dbraw/zinc/58/15/23/448581523.db2.gz RXVTZZKEODUOEN-UHFFFAOYSA-N 2 0 346.475 1.494 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000518032341 448640851 /nfs/dbraw/zinc/64/08/51/448640851.db2.gz UZWXLGDOECLMAT-ZWKOTPCHSA-N 2 0 330.476 1.846 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000541243445 448670197 /nfs/dbraw/zinc/67/01/97/448670197.db2.gz IVUBOAIUSYVKPM-INIZCTEOSA-N 2 0 325.497 1.534 20 0 EDADRP Cc1c(C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)nnn1C1CC[NH2+]CC1 ZINC000573609633 448670526 /nfs/dbraw/zinc/67/05/26/448670526.db2.gz IJFZREWAXSATCG-ZBFHGGJFSA-N 2 0 346.479 1.115 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H]3CC[C@@H](C2)[S@]3=O)CC1 ZINC000528780085 448672908 /nfs/dbraw/zinc/67/29/08/448672908.db2.gz BKJYGUBCXDPXFL-JLHGSKIFSA-N 2 0 327.538 1.388 20 0 EDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000567349958 448672940 /nfs/dbraw/zinc/67/29/40/448672940.db2.gz IZSYATFYVJDCIY-OAHLLOKOSA-N 2 0 333.436 1.578 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000573442041 448628028 /nfs/dbraw/zinc/62/80/28/448628028.db2.gz SOOPSEXTSIAJAT-SFHVURJKSA-N 2 0 337.508 1.770 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCCC[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000573448975 448631584 /nfs/dbraw/zinc/63/15/84/448631584.db2.gz LNZKFWACQWKPFN-MRXNPFEDSA-N 2 0 331.464 1.095 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[N@@H+]2CCN(C)C3(CCCCC3)C2)C[C@@H](C)O1 ZINC000573979180 448761244 /nfs/dbraw/zinc/76/12/44/448761244.db2.gz LSGUQJURJHBORZ-KURKYZTESA-N 2 0 339.524 1.407 20 0 EDADRP Cc1cc(CN[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)nc(N2CCCC2)n1 ZINC000519138346 448744425 /nfs/dbraw/zinc/74/44/25/448744425.db2.gz WTGUVYZROYREEU-SJORKVTESA-N 2 0 331.464 1.242 20 0 EDADRP C[C@@H](OCc1ccc(F)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574007683 448768105 /nfs/dbraw/zinc/76/81/05/448768105.db2.gz KLPFYBYNZVUHNB-OAHLLOKOSA-N 2 0 339.455 1.683 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000519407781 448768333 /nfs/dbraw/zinc/76/83/33/448768333.db2.gz ZOOFNJGWOFCQBC-NEWSRXKRSA-N 2 0 347.503 1.810 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000545883142 448803881 /nfs/dbraw/zinc/80/38/81/448803881.db2.gz OXUJLUZNLNLVDH-SJLPKXTDSA-N 2 0 340.512 1.109 20 0 EDADRP Cc1c(C(=O)N(CCC[NH3+])CC2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000519644116 448809618 /nfs/dbraw/zinc/80/96/18/448809618.db2.gz LHABZAXFHVINJW-UHFFFAOYSA-N 2 0 348.495 1.492 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567911835 448781640 /nfs/dbraw/zinc/78/16/40/448781640.db2.gz DCLUWNXCPBQJEF-IBGZPJMESA-N 2 0 344.503 1.214 20 0 EDADRP C[C@@]1(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCC[NH2+]C1 ZINC000529335447 448830401 /nfs/dbraw/zinc/83/04/01/448830401.db2.gz QZEZERVDUFVZJM-SJLPKXTDSA-N 2 0 338.496 1.176 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCCC[NH2+]Cc3cccnc3)c21 ZINC000592458561 448846720 /nfs/dbraw/zinc/84/67/20/448846720.db2.gz MLEYDJGBSDTKAN-HNNXBMFYSA-N 2 0 342.447 1.024 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000547464595 448883931 /nfs/dbraw/zinc/88/39/31/448883931.db2.gz ZZARKQNZJONKAA-QGZVFWFLSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000574529762 448897288 /nfs/dbraw/zinc/89/72/88/448897288.db2.gz ZWKIFMGIGQJLMW-KRWDZBQOSA-N 2 0 336.524 1.395 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000547736386 448921846 /nfs/dbraw/zinc/92/18/46/448921846.db2.gz NOXSUSRQXRSPNB-MRXNPFEDSA-N 2 0 339.524 1.945 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000579969071 448925708 /nfs/dbraw/zinc/92/57/08/448925708.db2.gz BVFOVMNUJROLAZ-AWEZNQCLSA-N 2 0 332.448 1.857 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C2(CCCCC2)C1 ZINC000579838241 448892008 /nfs/dbraw/zinc/89/20/08/448892008.db2.gz NSXKOPJEZKKGGW-OAHLLOKOSA-N 2 0 346.479 1.121 20 0 EDADRP Cc1[nH]nc2ncc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)cc12 ZINC000569200000 448977147 /nfs/dbraw/zinc/97/71/47/448977147.db2.gz JVYDESQXGSZWAQ-UHFFFAOYSA-N 2 0 328.464 1.572 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000521430052 448984994 /nfs/dbraw/zinc/98/49/94/448984994.db2.gz HAZHXZKSKVXTLR-MAUKXSAKSA-N 2 0 330.476 1.232 20 0 EDADRP CCO[C@@H](C)c1noc(CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000569490166 449034043 /nfs/dbraw/zinc/03/40/43/449034043.db2.gz RXFTXSDGSPKEOQ-GJZGRUSLSA-N 2 0 337.468 1.284 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H]([NH+]4CCCC4)C3)c21 ZINC000592956218 449077008 /nfs/dbraw/zinc/07/70/08/449077008.db2.gz DXKVYLBXIQSWNF-GJZGRUSLSA-N 2 0 331.464 1.420 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961578 449085110 /nfs/dbraw/zinc/08/51/10/449085110.db2.gz OYKSVEKDYSNUNU-XHSDSOJGSA-N 2 0 345.491 1.808 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239867 449091087 /nfs/dbraw/zinc/09/10/87/449091087.db2.gz ILTYJRZPGCULGC-UYAOXDASSA-N 3 0 347.503 1.828 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530277511 449101431 /nfs/dbraw/zinc/10/14/31/449101431.db2.gz WBWKMFCFJYZBPK-MSOLQXFVSA-N 2 0 337.508 1.913 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000590563931 449191861 /nfs/dbraw/zinc/19/18/61/449191861.db2.gz AWTUTCJBRAXJHG-CVEARBPZSA-N 2 0 343.537 1.383 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@@H]34)c21 ZINC000595958610 449282397 /nfs/dbraw/zinc/28/23/97/449282397.db2.gz FQSTYERZMJXACS-IMJJTQAJSA-N 2 0 331.464 1.466 20 0 EDADRP COc1cccc(-c2n[nH]cc2C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000607167945 449582467 /nfs/dbraw/zinc/58/24/67/449582467.db2.gz WKGYAGAZJRXFQM-UHFFFAOYSA-N 2 0 330.432 1.632 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607409774 449611380 /nfs/dbraw/zinc/61/13/80/449611380.db2.gz MISFOEKDGDIREC-PKOBYXMFSA-N 2 0 346.475 1.017 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C2([S@](C)=O)CC[NH2+]CC2)cc1 ZINC000602476030 449620886 /nfs/dbraw/zinc/62/08/86/449620886.db2.gz WFLMRIKOTSFMOV-QHCPKHFHSA-N 2 0 337.489 1.230 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614506439 449654359 /nfs/dbraw/zinc/65/43/59/449654359.db2.gz XQQSGKRPOLESDA-OALUTQOASA-N 2 0 342.487 1.015 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000600991715 449638652 /nfs/dbraw/zinc/63/86/52/449638652.db2.gz DDSMPSNSLPXNTF-QGZVFWFLSA-N 2 0 346.475 1.079 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602508014 449639445 /nfs/dbraw/zinc/63/94/45/449639445.db2.gz YSWJBGVPFCQNNG-HOTGVXAUSA-N 2 0 337.464 1.300 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000601000568 449646014 /nfs/dbraw/zinc/64/60/14/449646014.db2.gz DMSWCMGGEJLSLR-IBGZPJMESA-N 2 0 345.487 1.744 20 0 EDADRP CSC1(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000599064029 449715135 /nfs/dbraw/zinc/71/51/35/449715135.db2.gz BBTAWGJCNUKAHA-OAHLLOKOSA-N 2 0 342.553 1.845 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)C1 ZINC000601267251 449786532 /nfs/dbraw/zinc/78/65/32/449786532.db2.gz IYXPQOIZSIYYPK-HJOIGYKYSA-N 2 0 325.497 1.581 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000594947193 449816821 /nfs/dbraw/zinc/81/68/21/449816821.db2.gz XEPYDURVGRJDNP-KBAYOESNSA-N 2 0 346.471 1.801 20 0 EDADRP O=C(NC1CC[NH+](CCO)CC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000601328932 449836240 /nfs/dbraw/zinc/83/62/40/449836240.db2.gz AOYUXHRWGDNPQN-KRWDZBQOSA-N 2 0 338.496 1.103 20 0 EDADRP C[C@@H](CSCCF)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000595052907 449850205 /nfs/dbraw/zinc/85/02/05/449850205.db2.gz SMFONZCUDHQEFO-HNNXBMFYSA-N 2 0 333.517 1.464 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000612907165 449936870 /nfs/dbraw/zinc/93/68/70/449936870.db2.gz NQBMTNXZJCAXJF-LJQANCHMSA-N 2 0 346.475 1.711 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)[C@H]2CCC[N@H+](CCc3ccccc3)C2)C[C@@H]1O ZINC000615081176 449941767 /nfs/dbraw/zinc/94/17/67/449941767.db2.gz YYYXWKOMBUPQFU-FHWLQOOXSA-N 2 0 345.487 1.074 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)c2ccccc2)CC1 ZINC000612877514 449922793 /nfs/dbraw/zinc/92/27/93/449922793.db2.gz YHGWJLKKIQCPHA-HKUYNNGSSA-N 2 0 345.491 1.026 20 0 EDADRP CCN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@H]1CC[N@H+](CC)C1 ZINC000617928857 449924313 /nfs/dbraw/zinc/92/43/13/449924313.db2.gz XQQQYVYILHALJF-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975356 449965933 /nfs/dbraw/zinc/96/59/33/449965933.db2.gz FIUQJUZTTVXKQY-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612985665 449971644 /nfs/dbraw/zinc/97/16/44/449971644.db2.gz MFJSPFZWAIGTJQ-GDBMZVCRSA-N 2 0 336.480 1.023 20 0 EDADRP C[N@H+](CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000615271518 450035182 /nfs/dbraw/zinc/03/51/82/450035182.db2.gz XSPMGCKVHBZKDG-ROUUACIJSA-N 2 0 337.508 1.963 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+]C1(CC(=O)OC(C)(C)C)CCOCC1 ZINC000595550872 450226414 /nfs/dbraw/zinc/22/64/14/450226414.db2.gz NUMGXAKOAKNAJQ-HNNXBMFYSA-N 2 0 344.496 1.558 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c(=O)oc2c1 ZINC000603271144 450198141 /nfs/dbraw/zinc/19/81/41/450198141.db2.gz YPDHBYAXLKYDEH-UHFFFAOYSA-N 2 0 348.447 1.879 20 0 EDADRP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480601 450500037 /nfs/dbraw/zinc/50/00/37/450500037.db2.gz HAQXMTVJQLAUBZ-MSOLQXFVSA-N 2 0 335.492 1.451 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000623419645 450519394 /nfs/dbraw/zinc/51/93/94/450519394.db2.gz RCXMLHWCNGOMBV-KRWDZBQOSA-N 2 0 339.528 1.045 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1)c1ccccc1 ZINC000626015271 450554483 /nfs/dbraw/zinc/55/44/83/450554483.db2.gz OTDYFDSCOLBERN-NLWGTHIKSA-N 2 0 345.487 1.500 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(CCNC(=O)NC(C)C)CC1 ZINC000626089149 450573285 /nfs/dbraw/zinc/57/32/85/450573285.db2.gz CINZEAFCCCZRRC-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC1(C[NH3+])CCCCC1 ZINC000633049095 450646811 /nfs/dbraw/zinc/64/68/11/450646811.db2.gz RHLOOHUJKJMSQI-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)CC1 ZINC000624114955 450711583 /nfs/dbraw/zinc/71/15/83/450711583.db2.gz KOJYKKSDQDWUBA-HNNXBMFYSA-N 2 0 343.479 1.556 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521777 450725049 /nfs/dbraw/zinc/72/50/49/450725049.db2.gz UICOERRCBWGHHD-NVXWUHKLSA-N 2 0 341.883 1.889 20 0 EDADRP COc1ccc([C@@H](CCn2cncn2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629524760 450725971 /nfs/dbraw/zinc/72/59/71/450725971.db2.gz OOJBKIHWHRXEET-QGZVFWFLSA-N 2 0 345.447 1.516 20 0 EDADRP Cc1cnccc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000629552781 450732173 /nfs/dbraw/zinc/73/21/73/450732173.db2.gz PYVNYXZJGMEGPM-QGZVFWFLSA-N 2 0 340.475 1.902 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000629577122 450745545 /nfs/dbraw/zinc/74/55/45/450745545.db2.gz PYETTWLAVCSUGC-VQTJNVASSA-N 2 0 331.504 1.943 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC2CN(c3ccncn3)C2)[C@H](C)C1 ZINC000631746066 450747421 /nfs/dbraw/zinc/74/74/21/450747421.db2.gz BDHDVCZXDYSYQD-NVXWUHKLSA-N 2 0 333.480 1.392 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631758804 450754586 /nfs/dbraw/zinc/75/45/86/450754586.db2.gz JTQKFDBUCWDLBS-IAGOWNOFSA-N 2 0 345.553 1.760 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000635217734 450761146 /nfs/dbraw/zinc/76/11/46/450761146.db2.gz SWVUCKHJZFGOPZ-FUHWJXTLSA-N 2 0 331.460 1.518 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)[C@@H](C)C1 ZINC000624266691 450771444 /nfs/dbraw/zinc/77/14/44/450771444.db2.gz SWJFNVXKEFDOGE-WDSOQIARSA-N 2 0 332.492 1.602 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000631835041 450804645 /nfs/dbraw/zinc/80/46/45/450804645.db2.gz LDESYMUOOGBDNQ-MSOLQXFVSA-N 2 0 332.492 1.609 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000624605161 450916816 /nfs/dbraw/zinc/91/68/16/450916816.db2.gz BTQBZXHFSNDOGQ-UHFFFAOYSA-N 2 0 331.464 1.629 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)OCC1CC1 ZINC000624651090 450939877 /nfs/dbraw/zinc/93/98/77/450939877.db2.gz QJNDENKBMLHEGO-RDJZCZTQSA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000626888753 450985161 /nfs/dbraw/zinc/98/51/61/450985161.db2.gz XMHDFAUFXKZIOL-RHSMWYFYSA-N 2 0 346.475 1.724 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH2+]C)C1 ZINC000626975230 451044225 /nfs/dbraw/zinc/04/42/25/451044225.db2.gz POPGSLREPYQHQS-INIZCTEOSA-N 2 0 342.528 1.764 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)[NH+]1CCOCC1 ZINC000626929006 451011921 /nfs/dbraw/zinc/01/19/21/451011921.db2.gz GCSCAQGDZDDEFF-UAGQMJEPSA-N 2 0 340.512 1.563 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000626932594 451015327 /nfs/dbraw/zinc/01/53/27/451015327.db2.gz WOCFEORKXALDLU-IIDMSEBBSA-N 2 0 346.475 1.457 20 0 EDADRP CCN(CC[NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000626936805 451018234 /nfs/dbraw/zinc/01/82/34/451018234.db2.gz ZPGQABJYFPAZDW-GOSISDBHSA-N 2 0 347.507 1.355 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626976713 451046111 /nfs/dbraw/zinc/04/61/11/451046111.db2.gz NFMRTTIGTLLBCE-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635559825 451056934 /nfs/dbraw/zinc/05/69/34/451056934.db2.gz WAGZTQTVYIEOBU-ZDUSSCGKSA-N 2 0 347.463 1.374 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccc(F)cc1 ZINC000626993116 451058845 /nfs/dbraw/zinc/05/88/45/451058845.db2.gz BXAZBUIHUIRIIO-KDURUIRLSA-N 2 0 348.466 1.899 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000622144322 451065567 /nfs/dbraw/zinc/06/55/67/451065567.db2.gz VISQOTNNXVXAPE-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP CCO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000624952406 451077198 /nfs/dbraw/zinc/07/71/98/451077198.db2.gz UHBCMQIXNMKIDL-GOSISDBHSA-N 2 0 346.475 1.525 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2CC)[C@H](C)C1 ZINC000626980910 451049710 /nfs/dbraw/zinc/04/97/10/451049710.db2.gz WKHWMPWNMKCNIC-YYIAUSFCSA-N 2 0 340.512 1.563 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000626981240 451049738 /nfs/dbraw/zinc/04/97/38/451049738.db2.gz ZEKQZKKZRUWRRG-YHUYYLMFSA-N 2 0 326.485 1.173 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000627069409 451110196 /nfs/dbraw/zinc/11/01/96/451110196.db2.gz OFULIVSAHVWXRH-RVMXOQNASA-N 2 0 336.402 1.543 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[NH2+]C23CCC3)cc1 ZINC000627127950 451141095 /nfs/dbraw/zinc/14/10/95/451141095.db2.gz AQQSLDJWAQADIM-IRXDYDNUSA-N 2 0 346.475 1.882 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000627178024 451167725 /nfs/dbraw/zinc/16/77/25/451167725.db2.gz POJXFPAETAEGJF-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C[NH2+]1 ZINC000627199805 451182759 /nfs/dbraw/zinc/18/27/59/451182759.db2.gz DJVMIOYFPPIGNG-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635729636 451202507 /nfs/dbraw/zinc/20/25/07/451202507.db2.gz BXQOHKSVRQITGO-FPCVCCKLSA-N 2 0 340.512 1.115 20 0 EDADRP C[NH+]1CCN(c2ccnc(NC(=O)c3ccc4c[nH+]cn4c3)c2)CC1 ZINC000634193193 451227867 /nfs/dbraw/zinc/22/78/67/451227867.db2.gz FZFHUOBROAHUAT-UHFFFAOYSA-N 2 0 336.399 1.733 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)C1 ZINC000632371128 451232783 /nfs/dbraw/zinc/23/27/83/451232783.db2.gz VSFWIUVTELOKGX-INIZCTEOSA-N 2 0 329.510 1.220 20 0 EDADRP COc1cncc(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000625262952 451244141 /nfs/dbraw/zinc/24/41/41/451244141.db2.gz AYHAPEFZXMFFKC-SJPCQFCGSA-N 2 0 331.464 1.228 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000638084188 451248379 /nfs/dbraw/zinc/24/83/79/451248379.db2.gz DEPCGJNEGWVYCY-MAUKXSAKSA-N 2 0 333.476 1.802 20 0 EDADRP O=C(CN1CC[NH2+]CC1)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000638084669 451248563 /nfs/dbraw/zinc/24/85/63/451248563.db2.gz GLZMMBPBXJZBDT-UHFFFAOYSA-N 2 0 344.503 1.584 20 0 EDADRP C[C@@H]1C[N@H+](CCOC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000625275997 451253410 /nfs/dbraw/zinc/25/34/10/451253410.db2.gz JYQAWZJOUMFUIR-AEFFLSMTSA-N 2 0 325.497 1.140 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)CCCC[NH2+]1 ZINC000638095223 451259489 /nfs/dbraw/zinc/25/94/89/451259489.db2.gz BJYPBGSMMKJUOB-APWZRJJASA-N 2 0 349.475 2.000 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638099404 451265484 /nfs/dbraw/zinc/26/54/84/451265484.db2.gz HMXGDCGNZOWZJS-INIZCTEOSA-N 2 0 330.476 1.233 20 0 EDADRP COC[C@H]([NH3+])Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630595586 451268588 /nfs/dbraw/zinc/26/85/88/451268588.db2.gz HFIKVNDSYDOGMK-IAGOWNOFSA-N 2 0 329.448 1.316 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)C1 ZINC000638112117 451279358 /nfs/dbraw/zinc/27/93/58/451279358.db2.gz QMJVNBWRVDTSGJ-IIDMSEBBSA-N 2 0 325.497 1.770 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635843483 451292752 /nfs/dbraw/zinc/29/27/52/451292752.db2.gz ULKQUDCARBGPPA-FQEVSTJZSA-N 2 0 345.487 1.424 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@@]2(OC)CCOC2)CC1 ZINC000638134554 451307054 /nfs/dbraw/zinc/30/70/54/451307054.db2.gz WILSZTZVCCKXEP-SFHVURJKSA-N 2 0 328.497 1.862 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638136691 451308492 /nfs/dbraw/zinc/30/84/92/451308492.db2.gz LASIXAVDYCSJLK-INIZCTEOSA-N 2 0 333.480 1.213 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCc2cccc(C[NH+](C)C)c2)cn1 ZINC000630661905 451315215 /nfs/dbraw/zinc/31/52/15/451315215.db2.gz ZMDUQLLQJWMWAY-UHFFFAOYSA-N 2 0 329.448 1.436 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000638152446 451324483 /nfs/dbraw/zinc/32/44/83/451324483.db2.gz FHBCSYWKENXMDR-CQSZACIVSA-N 2 0 332.448 1.195 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636629138 451366732 /nfs/dbraw/zinc/36/67/32/451366732.db2.gz GQVUZUPOVNFAGE-JYJNAYRXSA-N 2 0 340.512 1.109 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(CC[NH+](C)C)c2)c1 ZINC000630806575 451411897 /nfs/dbraw/zinc/41/18/97/451411897.db2.gz XWLKAAJPCFIFEC-UHFFFAOYSA-N 2 0 343.475 1.826 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCN2CCCCCC2=O)CC1 ZINC000638298412 451413690 /nfs/dbraw/zinc/41/36/90/451413690.db2.gz PSQFGOZOCNBYHS-UHFFFAOYSA-N 2 0 325.497 1.604 20 0 EDADRP COC[C@]1(C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCC[NH2+]1 ZINC000638297385 451413946 /nfs/dbraw/zinc/41/39/46/451413946.db2.gz DGOQWCHQPBNYIG-SFHVURJKSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNCc3ncnn3C)cc2)C[C@H](C)O1 ZINC000638335790 451440286 /nfs/dbraw/zinc/44/02/86/451440286.db2.gz TYCKFBXIFWQFCE-GASCZTMLSA-N 2 0 329.448 1.714 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000640577262 451421766 /nfs/dbraw/zinc/42/17/66/451421766.db2.gz OWIXQYQRMFSOFY-MRXNPFEDSA-N 2 0 347.463 1.518 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000638327849 451435512 /nfs/dbraw/zinc/43/55/12/451435512.db2.gz FPWKXMVYETZGFT-MJGOQNOKSA-N 2 0 327.472 1.865 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[NH+]2CC)CC[N@@H+]1C ZINC000630879046 451457866 /nfs/dbraw/zinc/45/78/66/451457866.db2.gz DHOSKOYDJWQOQS-OKZBNKHCSA-N 3 0 338.540 1.591 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)Cc1cccc3c1CC[NH2+]C3)CC[NH2+]CC2 ZINC000638365056 451461488 /nfs/dbraw/zinc/46/14/88/451461488.db2.gz FQANRLYCGHXGKT-OAHLLOKOSA-N 2 0 327.472 1.865 20 0 EDADRP C[C@@H]1CC[C@@H](C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688402 451464963 /nfs/dbraw/zinc/46/49/63/451464963.db2.gz RCJVUINFONMDBP-PMPSAXMXSA-N 2 0 333.480 1.566 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634700646 451474702 /nfs/dbraw/zinc/47/47/02/451474702.db2.gz CXILVSQLHQPYIH-UXHICEINSA-N 2 0 331.504 1.945 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391719 451481762 /nfs/dbraw/zinc/48/17/62/451481762.db2.gz YVOHJICOEKXWHJ-BPQIPLTHSA-N 2 0 332.492 1.422 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000638401122 451489762 /nfs/dbraw/zinc/48/97/62/451489762.db2.gz PADJLXIAFJIJQO-SJLPKXTDSA-N 2 0 331.460 1.933 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(OC)cc(F)cc2OC)CC1 ZINC000631040931 451547694 /nfs/dbraw/zinc/54/76/94/451547694.db2.gz GBXWPWFYCVMFBL-AWEZNQCLSA-N 2 0 339.455 1.959 20 0 EDADRP COCCCn1nccc1CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1 ZINC000630962134 451509570 /nfs/dbraw/zinc/50/95/70/451509570.db2.gz WODVKPIYIIRZQD-UHFFFAOYSA-N 2 0 344.463 1.679 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632686584 451521311 /nfs/dbraw/zinc/52/13/11/451521311.db2.gz DLRRLJYBTKUOBC-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000638488683 451540584 /nfs/dbraw/zinc/54/05/84/451540584.db2.gz FSUCQMQOVIKFRJ-RTBURBONSA-N 2 0 345.487 1.734 20 0 EDADRP c1ncc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)cc1C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779072 451543365 /nfs/dbraw/zinc/54/33/65/451543365.db2.gz BUPPUSBEIZBYGV-QGFMHUBQSA-N 2 0 329.444 1.238 20 0 EDADRP CO[C@@](C)(C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000638529129 451560668 /nfs/dbraw/zinc/56/06/68/451560668.db2.gz FANGCAJQFFVKJJ-IBGZPJMESA-N 2 0 347.507 1.784 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638552645 451573859 /nfs/dbraw/zinc/57/38/59/451573859.db2.gz ORVYHCAGGKUWBJ-WNRNVDISSA-N 2 0 325.497 1.186 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000636204073 451582101 /nfs/dbraw/zinc/58/21/01/451582101.db2.gz IQGRAGWRKNAZFY-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)c1nccn1CC(=O)N(CCN1CCOCC1)CC1CC1 ZINC000636224545 451601518 /nfs/dbraw/zinc/60/15/18/451601518.db2.gz MJZUJNXXTFYXNC-UHFFFAOYSA-N 2 0 334.464 1.577 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000634951817 451620349 /nfs/dbraw/zinc/62/03/49/451620349.db2.gz HBOGFEQAIWRPNC-MOPGFXCFSA-N 2 0 344.503 1.624 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000638653529 451633132 /nfs/dbraw/zinc/63/31/32/451633132.db2.gz LITZYJJDFXJFFI-WBVHZDCISA-N 2 0 339.528 1.314 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)COCC[NH3+])c1ccc(Cl)c(Cl)c1 ZINC000638663982 451639433 /nfs/dbraw/zinc/63/94/33/451639433.db2.gz KFBDYJBVUDVWIR-ZDUSSCGKSA-N 2 0 334.247 1.688 20 0 EDADRP CC(C)[C@@H](C[NH3+])C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997843 451640981 /nfs/dbraw/zinc/64/09/81/451640981.db2.gz URJNEINCXKXNJP-HOTGVXAUSA-N 3 0 334.512 1.230 20 0 EDADRP CN(C)c1ncc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)n1C ZINC000631230758 451652240 /nfs/dbraw/zinc/65/22/40/451652240.db2.gz VTHNFFGAVURANN-UHFFFAOYSA-N 2 0 329.452 1.245 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)c1ccc(F)cc1 ZINC000638783987 451690777 /nfs/dbraw/zinc/69/07/77/451690777.db2.gz QCHDSFGAKNDXGN-ROUUACIJSA-N 2 0 349.450 1.485 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000638856937 451712040 /nfs/dbraw/zinc/71/20/40/451712040.db2.gz WJTQULSFLHFDFP-NJAFHUGGSA-N 2 0 333.476 1.623 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000638727723 451667356 /nfs/dbraw/zinc/66/73/56/451667356.db2.gz JPEHMZORQZPOTL-IBGZPJMESA-N 2 0 345.487 1.964 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956024 451668268 /nfs/dbraw/zinc/66/82/68/451668268.db2.gz SQSQRBCUNIJREJ-UONOGXRCSA-N 2 0 344.381 1.758 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCOCC3)[C@@H]2O)CC1 ZINC000639142365 451776021 /nfs/dbraw/zinc/77/60/21/451776021.db2.gz BDEINZCKPIHXBZ-DOTOQJQBSA-N 2 0 340.508 1.379 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151131 451741468 /nfs/dbraw/zinc/74/14/68/451741468.db2.gz XPJDZCIHTUPMPA-NJAFHUGGSA-N 2 0 346.475 1.015 20 0 EDADRP CC(C)(C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)N1CCOCC1 ZINC000638976477 451744257 /nfs/dbraw/zinc/74/42/57/451744257.db2.gz INFWMVZXEKDBKN-IBGZPJMESA-N 2 0 347.503 1.454 20 0 EDADRP C[C@]([NH3+])(C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)c1ccccc1 ZINC000638984224 451746107 /nfs/dbraw/zinc/74/61/07/451746107.db2.gz KQERDEZIPMLUPO-GOSISDBHSA-N 2 0 325.416 1.304 20 0 EDADRP O=C(Cn1cc(C2CC2)cn1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986015 451746604 /nfs/dbraw/zinc/74/66/04/451746604.db2.gz RRJWRVOJLKTXLG-UHFFFAOYSA-N 2 0 326.404 1.204 20 0 EDADRP CCc1noc(CC)c1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986322 451747027 /nfs/dbraw/zinc/74/70/27/451747027.db2.gz KJUUPSJTLMECPJ-UHFFFAOYSA-N 2 0 343.431 1.785 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c2ccccc21 ZINC000639068485 451760940 /nfs/dbraw/zinc/76/09/40/451760940.db2.gz WCOYZKLQGQHDTH-ZIAGYGMSSA-N 2 0 340.431 1.123 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997538 451803393 /nfs/dbraw/zinc/80/33/93/451803393.db2.gz LDOTTYXAJDXTFA-OAHLLOKOSA-N 2 0 327.517 1.040 20 0 EDADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000649072008 451808519 /nfs/dbraw/zinc/80/85/19/451808519.db2.gz WVHCRNBRPYACCS-RDJZCZTQSA-N 2 0 346.475 1.258 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000637378975 451811378 /nfs/dbraw/zinc/81/13/78/451811378.db2.gz AAGXUPUUEMOZSX-KFWWJZLASA-N 2 0 334.464 1.575 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000639310596 451819887 /nfs/dbraw/zinc/81/98/87/451819887.db2.gz XWZUDIFUXROJFN-WOJBJXKFSA-N 2 0 348.487 1.784 20 0 EDADRP CCN(C(=O)NCCNc1cc(C)nc(C(C)C)n1)[C@@H]1CC[N@H+](C)C1 ZINC000637413664 451842416 /nfs/dbraw/zinc/84/24/16/451842416.db2.gz WHUACMPNSDNCEX-OAHLLOKOSA-N 2 0 348.495 2.056 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807703 451854365 /nfs/dbraw/zinc/85/43/65/451854365.db2.gz PXITZKPNEFKRJG-RBUKOAKNSA-N 2 0 344.503 1.228 20 0 EDADRP CC(C)c1cc(NCC2([NH+](C)C)CC2)nc(NCC2([NH+](C)C)CC2)n1 ZINC000642310905 451858036 /nfs/dbraw/zinc/85/80/36/451858036.db2.gz WXMNYPXSYGEUIY-UHFFFAOYSA-N 2 0 346.523 1.456 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[NH2+]C(C)C)CC1 ZINC000637479305 451896971 /nfs/dbraw/zinc/89/69/71/451896971.db2.gz JCJIIXGBNHKUPO-UHFFFAOYSA-N 2 0 327.517 1.090 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649278622 451948730 /nfs/dbraw/zinc/94/87/30/451948730.db2.gz RBELKKVPDRYKCO-MJGOQNOKSA-N 2 0 331.460 1.708 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000642643434 451904353 /nfs/dbraw/zinc/90/43/53/451904353.db2.gz JKLBELSLZJIQBO-MSOLQXFVSA-N 2 0 328.497 1.597 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642645008 451905310 /nfs/dbraw/zinc/90/53/10/451905310.db2.gz AHJATPHZWPEEOY-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000642684759 451915848 /nfs/dbraw/zinc/91/58/48/451915848.db2.gz CQWIGUHTSAMLQY-CABCVRRESA-N 2 0 346.475 1.141 20 0 EDADRP O[C@]1(C[N@@H+]2CC[C@H]([C@H]3CCOC3)C2)CCN(Cc2ccccc2)C1 ZINC000639545318 451935848 /nfs/dbraw/zinc/93/58/48/451935848.db2.gz UUXRTAJQECALGT-UFYCRDLUSA-N 2 0 330.472 1.982 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000646923740 451941111 /nfs/dbraw/zinc/94/11/11/451941111.db2.gz YXXLJSQZFGYLRX-WMZOPIPTSA-N 2 0 328.460 1.769 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733440 451942719 /nfs/dbraw/zinc/94/27/19/451942719.db2.gz ODBUVPKQDSSLCI-DOTOQJQBSA-N 2 0 346.475 1.135 20 0 EDADRP O=C1[C@@H]([NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCN1C1CCC1 ZINC000639574045 451952744 /nfs/dbraw/zinc/95/27/44/451952744.db2.gz FIQBVKRZSYECNY-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(N)CC[N@H+](C)C1)c1cccc(OC)c1 ZINC000649282868 451956440 /nfs/dbraw/zinc/95/64/40/451956440.db2.gz PFWZWTLCFDHRGL-HKUYNNGSSA-N 2 0 348.491 1.227 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649288551 451962973 /nfs/dbraw/zinc/96/29/73/451962973.db2.gz YOFKVEGJEGINHC-INIZCTEOSA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649290528 451965789 /nfs/dbraw/zinc/96/57/89/451965789.db2.gz LLESRVWHZAKURB-PIIMJCKOSA-N 2 0 331.460 1.489 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(N)CC[N@H+](C)C1)Cc1ccccc1 ZINC000649292627 451969730 /nfs/dbraw/zinc/96/97/30/451969730.db2.gz UFAITNCIPJBGII-MJGOQNOKSA-N 2 0 332.492 1.089 20 0 EDADRP COC[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]1 ZINC000649299427 451976137 /nfs/dbraw/zinc/97/61/37/451976137.db2.gz UQRYHNGWHDKLOR-KRWDZBQOSA-N 2 0 341.521 1.233 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000649308861 451986186 /nfs/dbraw/zinc/98/61/86/451986186.db2.gz CWCWTZILYDLLPA-QGZVFWFLSA-N 2 0 336.505 1.109 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319137 451998613 /nfs/dbraw/zinc/99/86/13/451998613.db2.gz KGQDQPBQIGWPSJ-DAYGRLMNSA-N 2 0 341.415 1.738 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000649320075 451998843 /nfs/dbraw/zinc/99/88/43/451998843.db2.gz NOYORVLHPUJZFC-HKUYNNGSSA-N 2 0 345.487 1.635 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000649321567 451999422 /nfs/dbraw/zinc/99/94/22/451999422.db2.gz BHLSTKSXGUIRAH-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649323769 452003508 /nfs/dbraw/zinc/00/35/08/452003508.db2.gz YLVDBVBJSGNJEV-DOTOQJQBSA-N 2 0 331.460 1.564 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649323779 452003835 /nfs/dbraw/zinc/00/38/35/452003835.db2.gz ZBYQJWFRUYPSOY-HNNXBMFYSA-N 2 0 331.460 1.707 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000642976683 452004074 /nfs/dbraw/zinc/00/40/74/452004074.db2.gz MGBWCXGMUWYONU-PBHICJAKSA-N 2 0 346.475 1.312 20 0 EDADRP C[C@]1(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCC[NH2+]1 ZINC000649332237 452013410 /nfs/dbraw/zinc/01/34/10/452013410.db2.gz ITUQSQLBHYPBPR-LJQANCHMSA-N 2 0 344.459 1.593 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000649334409 452014121 /nfs/dbraw/zinc/01/41/21/452014121.db2.gz DKZZZQKLWKZOKG-ZNMIVQPWSA-N 2 0 347.450 1.484 20 0 EDADRP CC1(OCC(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[NH2+]C1 ZINC000649334084 452014838 /nfs/dbraw/zinc/01/48/38/452014838.db2.gz HNOKCHYEUDWSHR-UHFFFAOYSA-N 2 0 341.521 1.233 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(C)(C)C ZINC000649335772 452016421 /nfs/dbraw/zinc/01/64/21/452016421.db2.gz XWSBCBNEGTWEID-ZFWWWQNUSA-N 2 0 336.484 1.126 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342874 452023327 /nfs/dbraw/zinc/02/33/27/452023327.db2.gz VBMBLQULWDJXMU-PKOBYXMFSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000649342148 452023443 /nfs/dbraw/zinc/02/34/43/452023443.db2.gz PFKPDUUGGIUVLC-KBPBESRZSA-N 2 0 345.434 1.381 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649344876 452026279 /nfs/dbraw/zinc/02/62/79/452026279.db2.gz VXQZQQFUTJITEB-CABCVRRESA-N 2 0 327.856 1.813 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ccccc2O1 ZINC000649347306 452030038 /nfs/dbraw/zinc/03/00/38/452030038.db2.gz PKUQIKQJZLCNNY-IXDOHACOSA-N 2 0 343.471 1.978 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000649351143 452036001 /nfs/dbraw/zinc/03/60/01/452036001.db2.gz SVKYLJCSAAYWFH-APWZRJJASA-N 2 0 328.460 1.067 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC3CC[NH+](CCO)CC3)ccc21 ZINC000653617182 452043140 /nfs/dbraw/zinc/04/31/40/452043140.db2.gz AWVNDNZLILJXJS-SFHVURJKSA-N 2 0 346.475 1.814 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651750716 452054220 /nfs/dbraw/zinc/05/42/20/452054220.db2.gz UPZCRPIJRVBSBP-UHFFFAOYSA-N 2 0 328.464 1.385 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000647093029 452055577 /nfs/dbraw/zinc/05/55/77/452055577.db2.gz AKIXKJDZSJCQJS-CZUORRHYSA-N 2 0 331.464 1.337 20 0 EDADRP COc1cc(OC)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1F ZINC000651808555 452091571 /nfs/dbraw/zinc/09/15/71/452091571.db2.gz WAXFHKKJBNMXMH-UHFFFAOYSA-N 2 0 339.455 1.912 20 0 EDADRP O=C(NCC[NH2+]C1CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827407 452103218 /nfs/dbraw/zinc/10/32/18/452103218.db2.gz FWRCWMHUVCSXDX-AZUAARDMSA-N 2 0 343.471 1.393 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827229 452104289 /nfs/dbraw/zinc/10/42/89/452104289.db2.gz OBMNNLGGZGUKKP-BJLQDIEVSA-N 2 0 343.471 1.393 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000639764153 452105791 /nfs/dbraw/zinc/10/57/91/452105791.db2.gz GHVQTXSFWDYPQU-GDBMZVCRSA-N 2 0 328.478 1.014 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637847809 452113616 /nfs/dbraw/zinc/11/36/16/452113616.db2.gz DNGMBZHZNBSPAK-CYBMUJFWSA-N 2 0 333.436 1.017 20 0 EDADRP CC[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000647268404 452154790 /nfs/dbraw/zinc/15/47/90/452154790.db2.gz BDWRANOCKJSURN-GDBMZVCRSA-N 2 0 325.478 1.496 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000643387311 452171112 /nfs/dbraw/zinc/17/11/12/452171112.db2.gz IOCRPLMUDJDBOP-GQGLESIBSA-N 2 0 338.496 1.100 20 0 EDADRP CC[C@H](C)C[C@H](CO)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000647336736 452181507 /nfs/dbraw/zinc/18/15/07/452181507.db2.gz FRVROSIJZPCFMF-FUHWJXTLSA-N 2 0 327.513 1.170 20 0 EDADRP Cc1cc(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000654015494 452205176 /nfs/dbraw/zinc/20/51/76/452205176.db2.gz YJNVPEUDOMEZNM-FZNQNYSPSA-N 2 0 348.495 1.920 20 0 EDADRP C[NH+](C)CCOc1cc(CNc2nc(N)[nH+]c3c2CCCC3)ccn1 ZINC000645201018 452208380 /nfs/dbraw/zinc/20/83/80/452208380.db2.gz LMEYOQHQRSPHNR-UHFFFAOYSA-N 2 0 342.447 1.307 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3nccnc3c2)CC1 ZINC000637982832 452226279 /nfs/dbraw/zinc/22/62/79/452226279.db2.gz XXZURLZDHLXADC-UHFFFAOYSA-N 2 0 341.459 1.520 20 0 EDADRP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000643465650 452236221 /nfs/dbraw/zinc/23/62/21/452236221.db2.gz KMYZTWQVCGNXRO-KSSFIOAISA-N 2 0 330.476 1.936 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000647506542 452243613 /nfs/dbraw/zinc/24/36/13/452243613.db2.gz OLPNIFLSQJRARO-UHFFFAOYSA-N 3 0 335.492 1.957 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657438777 452248988 /nfs/dbraw/zinc/24/89/88/452248988.db2.gz OVYPPPFIWDLMSD-PXNSSMCTSA-N 2 0 347.503 1.970 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)[C@@H](C)C1 ZINC000641788914 452266220 /nfs/dbraw/zinc/26/62/20/452266220.db2.gz WEZKADDFADNESR-OTWHNJEPSA-N 3 0 338.540 1.103 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCN(C)CC2)C1 ZINC000663560238 452274687 /nfs/dbraw/zinc/27/46/87/452274687.db2.gz JZRIJFAAGIXYLY-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659436947 452283439 /nfs/dbraw/zinc/28/34/39/452283439.db2.gz VVPNNTIPKDBBKP-DOTOQJQBSA-N 2 0 334.508 1.892 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659435768 452284287 /nfs/dbraw/zinc/28/42/87/452284287.db2.gz NDDNBFQXVVPSTC-URSIVYNOSA-N 2 0 328.460 1.875 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000659439090 452285750 /nfs/dbraw/zinc/28/57/50/452285750.db2.gz CZNJZKJQDUAARZ-KFWWJZLASA-N 2 0 326.391 1.509 20 0 EDADRP COCc1ccc(CNC(=O)CN2[C@@H](C)[C@@H](C)CC[C@H]2C[NH3+])cc1 ZINC000641810501 452291268 /nfs/dbraw/zinc/29/12/68/452291268.db2.gz XPQFEEQKMIBHLP-MPGHIAIKSA-N 2 0 333.476 1.897 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000638052123 452325356 /nfs/dbraw/zinc/32/53/56/452325356.db2.gz XPHJWJDAZDJCQY-AEFFLSMTSA-N 2 0 329.444 1.996 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCCC1 ZINC000659471392 452328085 /nfs/dbraw/zinc/32/80/85/452328085.db2.gz PUWKIIHIKLLKER-CVEARBPZSA-N 2 0 338.496 1.325 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759752 452330723 /nfs/dbraw/zinc/33/07/23/452330723.db2.gz OFKZUHMRGXJYMJ-DLBZAZTESA-N 2 0 341.544 1.242 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCCN1CCOC(C)(C)C1 ZINC000652143576 452335485 /nfs/dbraw/zinc/33/54/85/452335485.db2.gz DQLPHAZXTSAUOY-UHFFFAOYSA-N 2 0 334.464 1.316 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000638055344 452336872 /nfs/dbraw/zinc/33/68/72/452336872.db2.gz HTKLCCDXEBHHML-IAGOWNOFSA-N 2 0 335.448 1.168 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000641887557 452340128 /nfs/dbraw/zinc/34/01/28/452340128.db2.gz XIDRWZWXHWETNW-GOSISDBHSA-N 2 0 348.491 1.877 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCC2(C[NH3+])CC2)[C@H](C)C1 ZINC000652153915 452347156 /nfs/dbraw/zinc/34/71/56/452347156.db2.gz RUCLSTTUYAJMQF-HZPDHXFCSA-N 2 0 340.512 1.552 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2cccc(C[NH+](C)C)c2)c1 ZINC000638059859 452352683 /nfs/dbraw/zinc/35/26/83/452352683.db2.gz OJWHXXDANBFKLH-IBGZPJMESA-N 2 0 341.455 1.943 20 0 EDADRP C[C@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638063358 452361111 /nfs/dbraw/zinc/36/11/11/452361111.db2.gz LXKMUVIBRCJAEX-LJQANCHMSA-N 2 0 331.460 1.188 20 0 EDADRP C[NH2+]CCCNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659505666 452370696 /nfs/dbraw/zinc/37/06/96/452370696.db2.gz ZAVFCHSRZYXTQA-UHFFFAOYSA-N 2 0 345.491 1.250 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000659509359 452373648 /nfs/dbraw/zinc/37/36/48/452373648.db2.gz ZBJQMSNVIBHZSX-ROUUACIJSA-N 2 0 346.475 1.195 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CC[NH+](CC3CC3)CC2)c1 ZINC000638073722 452383359 /nfs/dbraw/zinc/38/33/59/452383359.db2.gz WVDCKWZBMXQKTA-GOSISDBHSA-N 2 0 331.460 1.556 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000638073562 452383492 /nfs/dbraw/zinc/38/34/92/452383492.db2.gz FFYXMWAJQXWMHD-OKZBNKHCSA-N 2 0 330.476 1.189 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000638076247 452389587 /nfs/dbraw/zinc/38/95/87/452389587.db2.gz XGVCJMHXEWFIOL-DZJNRPSUSA-N 2 0 331.460 1.662 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)[C@H](C)[NH3+])cc1F ZINC000659552514 452409584 /nfs/dbraw/zinc/40/95/84/452409584.db2.gz ZHXGTRSONVNBRQ-WJNVRWDZSA-N 2 0 338.427 1.315 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659566396 452421652 /nfs/dbraw/zinc/42/16/52/452421652.db2.gz KLLXCTCCINIWNG-GOSISDBHSA-N 2 0 345.491 1.687 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659572888 452427129 /nfs/dbraw/zinc/42/71/29/452427129.db2.gz JAVSWSGWKVQBMD-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659577155 452431745 /nfs/dbraw/zinc/43/17/45/452431745.db2.gz OFIGFFDZZWFNKM-ZHALLVOQSA-N 2 0 328.460 1.527 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000659585714 452441497 /nfs/dbraw/zinc/44/14/97/452441497.db2.gz DTWHRXCQHIIDPC-XIRDDKMYSA-N 2 0 332.448 1.273 20 0 EDADRP [NH3+]CCOCC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000645479915 452451755 /nfs/dbraw/zinc/45/17/55/452451755.db2.gz YEKCKIDBAQSDNT-OAHLLOKOSA-N 2 0 325.840 1.568 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000663715236 452452427 /nfs/dbraw/zinc/45/24/27/452452427.db2.gz DJIMHJZUFIOZRB-GVDBMIGSSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000652319670 452493804 /nfs/dbraw/zinc/49/38/04/452493804.db2.gz DIKGRNAMAXCKRH-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652323784 452497415 /nfs/dbraw/zinc/49/74/15/452497415.db2.gz PEVJSMDTWNGBPL-DLBZAZTESA-N 2 0 338.496 1.304 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000659635131 452497448 /nfs/dbraw/zinc/49/74/48/452497448.db2.gz AVPFFEVZTLHQFZ-QGZVFWFLSA-N 2 0 332.492 1.944 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000655680200 452507395 /nfs/dbraw/zinc/50/73/95/452507395.db2.gz JOKXMGHTACDUCW-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784018 452512640 /nfs/dbraw/zinc/51/26/40/452512640.db2.gz LAVSOSOYRVARST-BGTYHANMSA-N 2 0 346.475 1.138 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345450 452520156 /nfs/dbraw/zinc/52/01/56/452520156.db2.gz CCXHXKJNYIYFCW-FLXSYLCISA-N 2 0 337.508 1.994 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792268 452524220 /nfs/dbraw/zinc/52/42/20/452524220.db2.gz XSZPWIWBMDDNPB-YQQAZPJKSA-N 2 0 343.537 1.414 20 0 EDADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)ncn1 ZINC000647792979 452524549 /nfs/dbraw/zinc/52/45/49/452524549.db2.gz GQSSUKFDGKKJQX-ONIAQPFYSA-N 2 0 329.492 1.986 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN([C@@H]3CCOC3)CC2)CC1 ZINC000655708760 452525471 /nfs/dbraw/zinc/52/54/71/452525471.db2.gz OFLWAZAUZKIFBX-PKOBYXMFSA-N 2 0 338.540 1.103 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCN1Cc1ccc(F)cc1 ZINC000647794909 452526288 /nfs/dbraw/zinc/52/62/88/452526288.db2.gz FRYVAHYTMRUBHB-BURFUSLBSA-N 2 0 331.435 1.904 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000654473622 452539713 /nfs/dbraw/zinc/53/97/13/452539713.db2.gz PZMMUMXSIBYNSA-QGZVFWFLSA-N 2 0 342.553 1.940 20 0 EDADRP C[N@H+](Cc1cc(=O)[nH]c(N)n1)[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000663830849 452557594 /nfs/dbraw/zinc/55/75/94/452557594.db2.gz PBZRCMCDJOLPNS-GFCCVEGCSA-N 2 0 339.403 1.351 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000657835184 452558377 /nfs/dbraw/zinc/55/83/77/452558377.db2.gz OKASIXSBRALHPF-MJGOQNOKSA-N 2 0 342.491 1.635 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000666090176 452579378 /nfs/dbraw/zinc/57/93/78/452579378.db2.gz MCUVSYXSKLVINN-DOTOQJQBSA-N 2 0 332.492 1.779 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccc(Cl)cc2Cl)CC1 ZINC000666115022 452601617 /nfs/dbraw/zinc/60/16/17/452601617.db2.gz DIAFEOQVHGPAJO-HNNXBMFYSA-N 2 0 346.302 1.734 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655914220 452672824 /nfs/dbraw/zinc/67/28/24/452672824.db2.gz DXCAXRPAONGBJI-AWEZNQCLSA-N 2 0 346.397 1.958 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000652611125 452771119 /nfs/dbraw/zinc/77/11/19/452771119.db2.gz YNGUSUNTSLLAAH-HNNXBMFYSA-N 2 0 333.480 1.997 20 0 EDADRP Cn1ccnc1CN(C(=O)CC1([NH3+])CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648048963 452782879 /nfs/dbraw/zinc/78/28/79/452782879.db2.gz WWHGEZNSUWWDRF-CQSZACIVSA-N 2 0 331.464 1.162 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119215 452835422 /nfs/dbraw/zinc/83/54/22/452835422.db2.gz ZNXAQZSYOSOHLB-KBPBESRZSA-N 2 0 334.489 1.613 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648178297 452891872 /nfs/dbraw/zinc/89/18/72/452891872.db2.gz NJCZSRQVMBRCNL-QGZVFWFLSA-N 2 0 327.472 1.719 20 0 EDADRP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000650758812 452976119 /nfs/dbraw/zinc/97/61/19/452976119.db2.gz XZFUZRYRVNYYCS-CYBMUJFWSA-N 2 0 333.457 1.904 20 0 EDADRP c1ccc2c(c1)cncc2N1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662281777 453008142 /nfs/dbraw/zinc/00/81/42/453008142.db2.gz MBYLSFLZHFSFJQ-QGZVFWFLSA-N 2 0 338.455 1.878 20 0 EDADRP O=C1[C@@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298157 453021571 /nfs/dbraw/zinc/02/15/71/453021571.db2.gz UTBIYVCZVXOIKE-KBPBESRZSA-N 2 0 333.398 1.861 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298167 453021879 /nfs/dbraw/zinc/02/18/79/453021879.db2.gz UTBIYVCZVXOIKE-ZIAGYGMSSA-N 2 0 333.398 1.861 20 0 EDADRP [NH3+]C[C@@H]1CCc2ccccc2N1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662306089 453027566 /nfs/dbraw/zinc/02/75/66/453027566.db2.gz XERQCODEJDGRKM-SFHVURJKSA-N 2 0 342.487 1.510 20 0 EDADRP CCCCOCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662335907 453053310 /nfs/dbraw/zinc/05/33/10/453053310.db2.gz AYTPJUZZJCJDCR-INIZCTEOSA-N 2 0 335.496 1.815 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000662338208 453055553 /nfs/dbraw/zinc/05/55/53/453055553.db2.gz HSNWWBZVYNDKRX-HNNXBMFYSA-N 2 0 332.448 1.746 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000664406103 453068534 /nfs/dbraw/zinc/06/85/34/453068534.db2.gz POYVJWJNDMDNDY-VYDXJSESSA-N 3 0 339.528 1.040 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664410257 453073450 /nfs/dbraw/zinc/07/34/50/453073450.db2.gz UGDCMSNSQNNJHO-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662394783 453104256 /nfs/dbraw/zinc/10/42/56/453104256.db2.gz MWYOKMWYLCINNO-FZMZJTMJSA-N 2 0 331.338 1.353 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662392873 453105253 /nfs/dbraw/zinc/10/52/53/453105253.db2.gz ZCGDARLCIVPLNO-SFHVURJKSA-N 2 0 332.492 1.703 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000662396448 453106741 /nfs/dbraw/zinc/10/67/41/453106741.db2.gz BTJZGIFDEVKJPN-CZUORRHYSA-N 2 0 345.422 1.658 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662406244 453118116 /nfs/dbraw/zinc/11/81/16/453118116.db2.gz DPWDFFXKQFCVGC-RBSFLKMASA-N 2 0 348.495 1.299 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000662410890 453121608 /nfs/dbraw/zinc/12/16/08/453121608.db2.gz WPXRDMYJPVFAKR-SFHVURJKSA-N 2 0 333.476 1.767 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000644195587 453122933 /nfs/dbraw/zinc/12/29/33/453122933.db2.gz WFZMEVHOOHKTHG-HNNXBMFYSA-N 2 0 332.448 1.381 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000660276220 453166927 /nfs/dbraw/zinc/16/69/27/453166927.db2.gz PCWITMKWANAHPQ-GOSISDBHSA-N 2 0 340.556 1.037 20 0 EDADRP C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)N1CC[NH+](C)CC1 ZINC000662463847 453172958 /nfs/dbraw/zinc/17/29/58/453172958.db2.gz JQJMAJULBSNWSL-YJBOKZPZSA-N 2 0 344.503 1.431 20 0 EDADRP [NH3+][C@H](c1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@@H]1CCCO1 ZINC000656455284 453197717 /nfs/dbraw/zinc/19/77/17/453197717.db2.gz BRBVPBNINIYBKN-BPQIPLTHSA-N 2 0 327.432 1.904 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662490489 453208364 /nfs/dbraw/zinc/20/83/64/453208364.db2.gz FOUXJVFZWQNRKB-ZDUSSCGKSA-N 2 0 331.464 1.623 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662521448 453240775 /nfs/dbraw/zinc/24/07/75/453240775.db2.gz FDQWTGSRICIVEW-RBSFLKMASA-N 2 0 331.464 1.338 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666970238 453285651 /nfs/dbraw/zinc/28/56/51/453285651.db2.gz OMIWPJYWQNLXCC-KRWDZBQOSA-N 2 0 338.496 1.223 20 0 EDADRP OC1CCN(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000648804231 453289214 /nfs/dbraw/zinc/28/92/14/453289214.db2.gz BZDXQSCDGNIKPM-UHFFFAOYSA-N 2 0 347.503 1.708 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662577145 453305469 /nfs/dbraw/zinc/30/54/69/453305469.db2.gz DRVSJFZMPSUKEE-CJNGLKHVSA-N 2 0 331.464 1.337 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000653120199 453311410 /nfs/dbraw/zinc/31/14/10/453311410.db2.gz JRJPNEPNJKYREP-HNNXBMFYSA-N 2 0 342.553 1.133 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662586484 453314189 /nfs/dbraw/zinc/31/41/89/453314189.db2.gz KLJFFMXWVQFMAR-MRXNPFEDSA-N 2 0 346.475 1.993 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653124177 453317189 /nfs/dbraw/zinc/31/71/89/453317189.db2.gz SHSDPUXHSCABFQ-OAHLLOKOSA-N 2 0 333.480 1.046 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662614123 453333596 /nfs/dbraw/zinc/33/35/96/453333596.db2.gz MIHDCZVNSFSSIL-QGZVFWFLSA-N 2 0 335.492 1.383 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653151710 453340300 /nfs/dbraw/zinc/34/03/00/453340300.db2.gz POHGKWZVPJONDH-WMZOPIPTSA-N 2 0 332.492 1.388 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000664719420 453347412 /nfs/dbraw/zinc/34/74/12/453347412.db2.gz RJIMSXAQWRIDCF-UHFFFAOYSA-N 2 0 336.484 1.361 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000651197078 453351173 /nfs/dbraw/zinc/35/11/73/453351173.db2.gz VGEDJFDISTWCNQ-MRXNPFEDSA-N 2 0 328.501 1.110 20 0 EDADRP [NH3+]Cc1cc(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)co1 ZINC000662638242 453353559 /nfs/dbraw/zinc/35/35/59/453353559.db2.gz OWOHBSXRMKSLFL-UHFFFAOYSA-N 2 0 328.416 1.775 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646384937 453359663 /nfs/dbraw/zinc/35/96/63/453359663.db2.gz TUQLVVMUTSTFIV-GJZGRUSLSA-N 2 0 346.479 1.054 20 0 EDADRP [NH3+]C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000667045120 453361492 /nfs/dbraw/zinc/36/14/92/453361492.db2.gz YEWHDMXAEBGFFM-IBGZPJMESA-N 2 0 333.476 1.711 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183697 453373663 /nfs/dbraw/zinc/37/36/63/453373663.db2.gz IMOPDKXAOICKKX-DKIMLUQUSA-N 2 0 349.450 1.613 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000658777598 453381196 /nfs/dbraw/zinc/38/11/96/453381196.db2.gz DGOYUJLWNZIZBJ-QGZVFWFLSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CC2CC1(C[NH3+])C2)c1ccc(Br)cc1 ZINC000662681880 453402060 /nfs/dbraw/zinc/40/20/60/453402060.db2.gz HTMNKOLRKCDKMI-CUMGRINNSA-N 2 0 338.249 1.573 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)c1 ZINC000667094469 453402132 /nfs/dbraw/zinc/40/21/32/453402132.db2.gz HXCGCUHZMLIGEA-QGZVFWFLSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C[C@H](C)O1 ZINC000662686895 453408990 /nfs/dbraw/zinc/40/89/90/453408990.db2.gz BSUZMNFKGVSQQG-GJZGRUSLSA-N 2 0 331.460 1.909 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000653221274 453410108 /nfs/dbraw/zinc/41/01/08/453410108.db2.gz PNYLPLFYGJZLDN-UHFFFAOYSA-N 2 0 330.476 1.687 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2[NH2+]CCC2(C)C)CC1 ZINC000662699524 453420721 /nfs/dbraw/zinc/42/07/21/453420721.db2.gz BMKLBSXCFVRUFI-BRWVUGGUSA-N 2 0 336.524 1.392 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000662701217 453422396 /nfs/dbraw/zinc/42/23/96/453422396.db2.gz OOQNWIZEHITZMP-BZSNNMDCSA-N 2 0 331.460 1.612 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662701482 453423790 /nfs/dbraw/zinc/42/37/90/453423790.db2.gz QUIKMHBXEJDION-BZSNNMDCSA-N 2 0 331.460 1.031 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000653258055 453439803 /nfs/dbraw/zinc/43/98/03/453439803.db2.gz CORSQCVPCCUDPW-DJIMGWMZSA-N 2 0 328.416 1.835 20 0 EDADRP CN(C)Cc1ccc(NC(=O)COCC[NH3+])cc1Br ZINC000646497157 453440689 /nfs/dbraw/zinc/44/06/89/453440689.db2.gz QKDZHTHDRAHBAC-UHFFFAOYSA-N 2 0 330.226 1.425 20 0 EDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787227 453447038 /nfs/dbraw/zinc/44/70/38/453447038.db2.gz HNXNAPKZMYSBHR-LEUOFYLZSA-N 2 0 341.455 1.492 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000662736502 453463426 /nfs/dbraw/zinc/46/34/26/453463426.db2.gz HDXZJGKCMNKTFT-OAHLLOKOSA-N 2 0 343.471 1.563 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664918142 453482846 /nfs/dbraw/zinc/48/28/46/453482846.db2.gz AFGSNPOUUGLWOZ-IRXDYDNUSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NCc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000662753971 453490423 /nfs/dbraw/zinc/49/04/23/453490423.db2.gz ZKCGRLGHECWPSL-QGZVFWFLSA-N 2 0 343.431 1.340 20 0 EDADRP [NH3+]C1(CC(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662759489 453498770 /nfs/dbraw/zinc/49/87/70/453498770.db2.gz YEFFGRJPPMZBKY-UHFFFAOYSA-N 2 0 330.476 1.586 20 0 EDADRP C[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655408543 453509669 /nfs/dbraw/zinc/50/96/69/453509669.db2.gz VQNCQLMSDWHCKA-NCOADZHNSA-N 2 0 325.497 1.865 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)n(C2CC[NH+](C)CC2)n1 ZINC000655449423 453536247 /nfs/dbraw/zinc/53/62/47/453536247.db2.gz WWFCSVBQEPTPOC-MAUKXSAKSA-N 2 0 331.464 1.786 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)[C@@H](C)C1 ZINC000655448808 453537098 /nfs/dbraw/zinc/53/70/98/453537098.db2.gz YDPJNKWLAIITHJ-DWRORGKVSA-N 2 0 337.508 1.629 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662832381 453558588 /nfs/dbraw/zinc/55/85/88/453558588.db2.gz VOBKBDPARWMCNT-LZQZEXGQSA-N 2 0 343.471 1.833 20 0 EDADRP O=C(N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662842374 453566263 /nfs/dbraw/zinc/56/62/63/453566263.db2.gz NMILZQUDFWOACF-DZGCQCFKSA-N 2 0 333.398 1.767 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857582 453573346 /nfs/dbraw/zinc/57/33/46/453573346.db2.gz BKKQASGKVBEFGW-FUHWJXTLSA-N 2 0 331.460 1.259 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC000662867327 453579643 /nfs/dbraw/zinc/57/96/43/453579643.db2.gz WEDXKGNPVZDYDC-OAOYMFHYSA-N 2 0 345.487 1.987 20 0 EDADRP CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]([NH3+])c1ccccc1 ZINC000662906695 453597463 /nfs/dbraw/zinc/59/74/63/453597463.db2.gz KCTUNQJLAFPXQJ-IRXDYDNUSA-N 2 0 330.476 1.219 20 0 EDADRP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665234591 453618545 /nfs/dbraw/zinc/61/85/45/453618545.db2.gz GKXOTQOQJWAPOO-IPMKNSEASA-N 2 0 331.460 1.569 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC1(CS(C)(=O)=O)CC1 ZINC000665234605 453618932 /nfs/dbraw/zinc/61/89/32/453618932.db2.gz GUCPFNIAXBJPIZ-LBPRGKRZSA-N 2 0 325.478 1.714 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)C1 ZINC000665240906 453620790 /nfs/dbraw/zinc/62/07/90/453620790.db2.gz VSNXRZILVRCLFZ-VNTMZGSJSA-N 3 0 329.488 1.731 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973262 453631811 /nfs/dbraw/zinc/63/18/11/453631811.db2.gz XNELQNYXSHLFBL-QFBILLFUSA-N 2 0 337.508 1.757 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665290839 453638101 /nfs/dbraw/zinc/63/81/01/453638101.db2.gz MHXWNXYPLXHZEJ-LLVKDONJSA-N 2 0 332.404 1.379 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659107244 453638975 /nfs/dbraw/zinc/63/89/75/453638975.db2.gz RNFIFGVNDKZREK-OAHLLOKOSA-N 2 0 334.464 1.485 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000659112916 453643458 /nfs/dbraw/zinc/64/34/58/453643458.db2.gz SOLSKUPYNUQVMD-ZIAGYGMSSA-N 2 0 346.475 1.709 20 0 EDADRP CN(CCC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000659290874 453703912 /nfs/dbraw/zinc/70/39/12/453703912.db2.gz OXHAILSYNWJWAY-IBGZPJMESA-N 2 0 341.455 1.943 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659347929 453724238 /nfs/dbraw/zinc/72/42/38/453724238.db2.gz JPFKTEFSFICZBH-OPQOLIRYSA-N 2 0 331.460 1.535 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659351319 453724442 /nfs/dbraw/zinc/72/44/42/453724442.db2.gz CXTXNXHEFXQVCE-PMPSAXMXSA-N 2 0 337.464 1.483 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000659353549 453725490 /nfs/dbraw/zinc/72/54/90/453725490.db2.gz QAYYZLNVZFHCLW-NBMRYCAZSA-N 2 0 331.460 1.645 20 0 EDADRP Cc1c(Br)cncc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000657348603 453771353 /nfs/dbraw/zinc/77/13/53/453771353.db2.gz AUNYAJWRKPZFDS-GFCCVEGCSA-N 2 0 341.297 1.878 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2nnn(C(C)(C)C)n2)CC1 ZINC000657416013 453783837 /nfs/dbraw/zinc/78/38/37/453783837.db2.gz KUZYZTHHPIQBQK-UHFFFAOYSA-N 2 0 330.440 1.187 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc(COC)c2)CC1 ZINC000663503713 453811322 /nfs/dbraw/zinc/81/13/22/453811322.db2.gz KQELCNZHWGYIJB-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](CC[C@H]3CCOC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663512149 453813175 /nfs/dbraw/zinc/81/31/75/453813175.db2.gz MKFGQOIVSANYTC-JKSUJKDBSA-N 2 0 333.480 1.425 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O)C1CC[NH+](C)CC1 ZINC000679994262 486691510 /nfs/dbraw/zinc/69/15/10/486691510.db2.gz QCHZCHIXTMWMEX-GDBMZVCRSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1 ZINC000671768384 486746156 /nfs/dbraw/zinc/74/61/56/486746156.db2.gz SELUXMKDFLVLEA-CQSZACIVSA-N 2 0 329.444 1.993 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415635058 486758209 /nfs/dbraw/zinc/75/82/09/486758209.db2.gz AWAZCWDJNJGQJX-LSDHHAIUSA-N 2 0 332.448 1.381 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000680581808 486819272 /nfs/dbraw/zinc/81/92/72/486819272.db2.gz FKWWOKRUHGNYLL-HAAVTCDPSA-N 2 0 335.536 1.789 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431007072 486901194 /nfs/dbraw/zinc/90/11/94/486901194.db2.gz SUYHBUPFKRWHQD-MOPGFXCFSA-N 2 0 344.503 1.568 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256110 487003950 /nfs/dbraw/zinc/00/39/50/487003950.db2.gz BCGLSUXPUPEZRK-CEXWTWQISA-N 2 0 342.487 1.854 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000677236234 487018437 /nfs/dbraw/zinc/01/84/37/487018437.db2.gz AMVDLVUZVPWPLW-SJORKVTESA-N 2 0 337.489 1.452 20 0 EDADRP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673519136 487043012 /nfs/dbraw/zinc/04/30/12/487043012.db2.gz YXKZITKFPPWUCI-QRVBRYPASA-N 2 0 343.471 1.319 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530942 487050138 /nfs/dbraw/zinc/05/01/38/487050138.db2.gz MRDYQFGDZSYSNI-RTBURBONSA-N 2 0 345.487 1.472 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000668164950 487126578 /nfs/dbraw/zinc/12/65/78/487126578.db2.gz WSVDAVITGVGYPM-YNEHKIRRSA-N 2 0 326.466 1.108 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000673875931 487143010 /nfs/dbraw/zinc/14/30/10/487143010.db2.gz HOVMVSZCTGNCSL-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)[C@H]1CCCN(c2cnc(N3CCC[C@H]([NH+](C)C)C3)cn2)C1 ZINC000685271777 487250837 /nfs/dbraw/zinc/25/08/37/487250837.db2.gz ZBLHIBYZHSEPRD-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000681970426 487268085 /nfs/dbraw/zinc/26/80/85/487268085.db2.gz UWOLDHZPQRFCHJ-HUUCEWRRSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H](C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000678802222 487365664 /nfs/dbraw/zinc/36/56/64/487365664.db2.gz LBTRDNCDBCMPMU-INIZCTEOSA-N 2 0 333.476 1.770 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000675177995 487385398 /nfs/dbraw/zinc/38/53/98/487385398.db2.gz SDOWCOQUDDPTIC-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000675771542 487442698 /nfs/dbraw/zinc/44/26/98/487442698.db2.gz VUDNTDKOAZQRRZ-INIZCTEOSA-N 2 0 345.487 1.979 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000679764079 487464038 /nfs/dbraw/zinc/46/40/38/487464038.db2.gz RHBPQSDBPNAYIO-ROUUACIJSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669552612 485547421 /nfs/dbraw/zinc/54/74/21/485547421.db2.gz DXYNVEKQZRDFMP-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556917 485560179 /nfs/dbraw/zinc/56/01/79/485560179.db2.gz NUEMGYGDCNRJFN-FGTMMUONSA-N 2 0 330.476 1.887 20 0 EDADRP CC(C)[C@H](CNC(=O)NCC1([NH3+])CCCCC1)[NH+]1CCN(C)CC1 ZINC000669042563 485595523 /nfs/dbraw/zinc/59/55/23/485595523.db2.gz OZAVVJDSCUMNBL-INIZCTEOSA-N 2 0 339.528 1.219 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000669111256 485675958 /nfs/dbraw/zinc/67/59/58/485675958.db2.gz NKXKJQHQMYGFIZ-MRXNPFEDSA-N 2 0 331.464 1.487 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1F ZINC000328169939 486051723 /nfs/dbraw/zinc/05/17/23/486051723.db2.gz TTXCJFBWDLDBSG-ZBFHGGJFSA-N 2 0 349.450 1.915 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)COC3(C)C[NH2+]C3)c(C)c2)CC1 ZINC000328277479 486058778 /nfs/dbraw/zinc/05/87/78/486058778.db2.gz GMMRIEIHUWPBFQ-UHFFFAOYSA-N 2 0 346.475 1.454 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000629174114 486113648 /nfs/dbraw/zinc/11/36/48/486113648.db2.gz BKWGKEMEPKMFPF-GOSISDBHSA-N 2 0 331.460 1.081 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000669418776 486137818 /nfs/dbraw/zinc/13/78/18/486137818.db2.gz HYSBOUCZMYWAGT-LZWOXQAQSA-N 2 0 338.452 1.420 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000669490659 486263894 /nfs/dbraw/zinc/26/38/94/486263894.db2.gz SAPKCWRIUHGVNP-MRXNPFEDSA-N 2 0 332.492 1.930 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC/C=C\C[NH3+])c1cccc(OC)c1 ZINC000668899941 486321646 /nfs/dbraw/zinc/32/16/46/486321646.db2.gz QXQCUFZUMHRTAD-JTGQJZMRSA-N 2 0 334.464 1.892 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@@H]3C[NH+]4CCC[C@@H]4CO3)n2C)C[C@@H]1C ZINC000668931831 486357996 /nfs/dbraw/zinc/35/79/96/486357996.db2.gz PKJHLKBEHJGRQW-JJXSEGSLSA-N 2 0 348.495 1.270 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000134040770 491224355 /nfs/dbraw/zinc/22/43/55/491224355.db2.gz ZVNSRNYBDSABPS-QGZVFWFLSA-N 2 0 345.491 1.891 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-n2cnnn2)c1)CN1CC[NH+](C)CC1 ZINC000120785516 490998205 /nfs/dbraw/zinc/99/82/05/490998205.db2.gz JFNDGKVRKPAUGE-CVEARBPZSA-N 2 0 343.479 1.196 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1S(=O)(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000130001209 491001887 /nfs/dbraw/zinc/00/18/87/491001887.db2.gz KCXLMUNJJOBSLZ-AWEZNQCLSA-N 2 0 339.505 1.757 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073642718 491009008 /nfs/dbraw/zinc/00/90/08/491009008.db2.gz KNRHIFRZYINVAG-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000669007251 491184748 /nfs/dbraw/zinc/18/47/48/491184748.db2.gz OVSTUECFUAMVME-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCCCC1 ZINC000154788323 534012935 /nfs/dbraw/zinc/01/29/35/534012935.db2.gz FYBSIZMWMOUNKF-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178832546 534681598 /nfs/dbraw/zinc/68/15/98/534681598.db2.gz SPMGCFCKMXVWGZ-MRXNPFEDSA-N 2 0 331.460 1.259 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000165995051 527718294 /nfs/dbraw/zinc/71/82/94/527718294.db2.gz JUEXYAZHRNJPDQ-JSGCOSHPSA-N 2 0 347.301 1.981 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C1(OC)CC[NH2+]CC1)[NH+]1CCCC1 ZINC000164393450 528852983 /nfs/dbraw/zinc/85/29/83/528852983.db2.gz NYQJYKVGMUAEQE-INIZCTEOSA-N 2 0 325.497 1.772 20 0 EDADRP CC[C@H]1CN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@@H](C)O ZINC000168003175 529278390 /nfs/dbraw/zinc/27/83/90/529278390.db2.gz OQKIFCIPQRYVRN-FZCLSBEQSA-N 2 0 333.476 1.626 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000133095633 535441497 /nfs/dbraw/zinc/44/14/97/535441497.db2.gz SSDMVFBRHRNLGX-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348083445 535513666 /nfs/dbraw/zinc/51/36/66/535513666.db2.gz YHHFGOKUIMNINE-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCS1 ZINC000246288757 535595704 /nfs/dbraw/zinc/59/57/04/535595704.db2.gz CEBVGICBLBZXHB-JKSUJKDBSA-N 2 0 342.553 1.940 20 0 EDADRP CCC[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236813408 535677163 /nfs/dbraw/zinc/67/71/63/535677163.db2.gz ITXYZNZZLYZRGF-UXLLHSPISA-N 2 0 325.497 1.852 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269290011 535705232 /nfs/dbraw/zinc/70/52/32/535705232.db2.gz KQTSAHRPUPFZTD-FUHWJXTLSA-N 2 0 332.492 1.119 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262658710 535721056 /nfs/dbraw/zinc/72/10/56/535721056.db2.gz WAWSENTVISFAGZ-IRXDYDNUSA-N 2 0 330.476 1.890 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236991787 535753945 /nfs/dbraw/zinc/75/39/45/535753945.db2.gz KQKSQBMRLCMCAY-INIZCTEOSA-N 2 0 346.475 1.536 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236992005 535754708 /nfs/dbraw/zinc/75/47/08/535754708.db2.gz RSWUELJWZQQGBG-HNNXBMFYSA-N 2 0 348.516 1.862 20 0 EDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000124115463 535833860 /nfs/dbraw/zinc/83/38/60/535833860.db2.gz UEVRCRMMEBOLCO-UHFFFAOYSA-N 2 0 346.475 1.331 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000263236662 536339690 /nfs/dbraw/zinc/33/96/90/536339690.db2.gz DXFMTNPBGSRDIC-IPELMVKDSA-N 2 0 348.535 1.582 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237237625 536447653 /nfs/dbraw/zinc/44/76/53/536447653.db2.gz RKKNPQILNZPZJB-ZIAGYGMSSA-N 2 0 336.455 1.610 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000352729644 536750584 /nfs/dbraw/zinc/75/05/84/536750584.db2.gz AFLDMGFWBCWSFC-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC(C)C ZINC000347227822 536755436 /nfs/dbraw/zinc/75/54/36/536755436.db2.gz WLXMHTMIOSBQNN-INIZCTEOSA-N 2 0 349.475 1.769 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000262421566 536916236 /nfs/dbraw/zinc/91/62/36/536916236.db2.gz QOBLAHAZBNJQPW-NJAFHUGGSA-N 2 0 347.459 1.061 20 0 EDADRP C[C@H](O)c1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000741083294 579396580 /nfs/dbraw/zinc/39/65/80/579396580.db2.gz WWKIKPUBTNEFJJ-HNNXBMFYSA-N 2 0 336.480 1.375 20 0 EDADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1O[C@@H](C)C2 ZINC000728611553 578549471 /nfs/dbraw/zinc/54/94/71/578549471.db2.gz NZMMXYYELROALE-AWEZNQCLSA-N 2 0 349.475 1.584 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=S)NCC1CC[NH+](C)CC1 ZINC000760485984 580031920 /nfs/dbraw/zinc/03/19/20/580031920.db2.gz WAECYYQKOHANDD-UHFFFAOYSA-N 2 0 344.569 1.493 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734280484 578805137 /nfs/dbraw/zinc/80/51/37/578805137.db2.gz LMSKKZCPFODDRG-WBVHZDCISA-N 2 0 336.480 1.166 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734264519 578805362 /nfs/dbraw/zinc/80/53/62/578805362.db2.gz DISVQTGLZYDLJJ-RDJZCZTQSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000745822580 579564466 /nfs/dbraw/zinc/56/44/66/579564466.db2.gz AVKAQDDETXPSNE-ROUUACIJSA-N 2 0 348.491 1.286 20 0 EDADRP C[NH+](C)CCCNC(=S)NCc1ccccc1OCC[NH+](C)C ZINC000746686036 579606585 /nfs/dbraw/zinc/60/65/85/579606585.db2.gz VTFAGASYOCIMQT-UHFFFAOYSA-N 2 0 338.521 1.543 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000748150449 579672173 /nfs/dbraw/zinc/67/21/73/579672173.db2.gz CWZLJPYYLBTCSO-HOTGVXAUSA-N 2 0 342.553 1.388 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000753961582 579892410 /nfs/dbraw/zinc/89/24/10/579892410.db2.gz AROPYXONIYWWRF-CABCVRRESA-N 2 0 330.542 1.292 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764022992 580111602 /nfs/dbraw/zinc/11/16/02/580111602.db2.gz XZEUPURAWNQZJB-LJQANCHMSA-N 2 0 348.535 1.537 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000765279118 580139229 /nfs/dbraw/zinc/13/92/29/580139229.db2.gz FOSYRMVJEJJYQB-BZPMIXESSA-N 2 0 334.386 1.632 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000767180074 580183213 /nfs/dbraw/zinc/18/32/13/580183213.db2.gz UYBADTIBFDSLHH-INIZCTEOSA-N 2 0 346.475 1.345 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000773455841 580337825 /nfs/dbraw/zinc/33/78/25/580337825.db2.gz PJRZOTBPWULMDV-LVQVYYBASA-N 2 0 325.497 1.863 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]C[C@H]3CCC=CO3)CC2)nc1 ZINC000774997957 580380269 /nfs/dbraw/zinc/38/02/69/580380269.db2.gz NKWZIVLYKIEHRR-QGZVFWFLSA-N 2 0 331.464 1.661 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000776043260 580406818 /nfs/dbraw/zinc/40/68/18/580406818.db2.gz DLAAENZLPVVILT-KRWDZBQOSA-N 2 0 336.480 1.191 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)C1CCCCC1 ZINC000780850013 580534895 /nfs/dbraw/zinc/53/48/95/580534895.db2.gz WVERHHWMQHFZRD-UHFFFAOYSA-N 2 0 331.526 1.607 20 0 EDADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)c1cc[nH]c(=O)c1 ZINC000788537558 580723968 /nfs/dbraw/zinc/72/39/68/580723968.db2.gz BLJWQGFWXZAYRZ-AWEZNQCLSA-N 2 0 327.432 1.785 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000891836347 590646000 /nfs/dbraw/zinc/64/60/00/590646000.db2.gz SOQWLYMDKCQCCW-MJGOQNOKSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000891854046 590656074 /nfs/dbraw/zinc/65/60/74/590656074.db2.gz ABHSZTXBTJYNBZ-WCXIOVBPSA-N 2 0 338.496 1.317 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1C(F)(F)F ZINC000891857934 590658034 /nfs/dbraw/zinc/65/80/34/590658034.db2.gz HVSPRHMYCAZDIA-BNOWGMLFSA-N 2 0 348.413 1.782 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891881480 590668208 /nfs/dbraw/zinc/66/82/08/590668208.db2.gz GAHBSYKAQDYCDB-MRXNPFEDSA-N 2 0 330.476 1.828 20 0 EDADRP CSC1(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC[NH+](C)CC1 ZINC000891907689 590682924 /nfs/dbraw/zinc/68/29/24/590682924.db2.gz SRQLKVLSYPKNKX-CJNGLKHVSA-N 2 0 326.510 1.398 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980439 590722229 /nfs/dbraw/zinc/72/22/29/590722229.db2.gz VIBYHTFXQDISSW-ZWKOTPCHSA-N 2 0 330.476 1.868 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCCC1 ZINC000892009570 590741003 /nfs/dbraw/zinc/74/10/03/590741003.db2.gz LQOXCMZCIFNUMM-JHJVBQTASA-N 2 0 336.402 1.673 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000892087688 590791882 /nfs/dbraw/zinc/79/18/82/590791882.db2.gz HUYHBCLMWDRXKA-HOTGVXAUSA-N 2 0 326.485 1.256 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000892092937 590793271 /nfs/dbraw/zinc/79/32/71/590793271.db2.gz SRAOUMOOGLWIIR-XYPHTWIQSA-N 2 0 332.448 1.349 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1C(F)(F)F ZINC000892186759 590853784 /nfs/dbraw/zinc/85/37/84/590853784.db2.gz CCWOBECSBOASIS-NZEXEKPDSA-N 2 0 334.386 1.153 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)C2CC3CC(C2)CC1C3 ZINC000892188655 590855042 /nfs/dbraw/zinc/85/50/42/590855042.db2.gz IUPGDASETLXOBU-OKCMZBEQSA-N 2 0 332.492 1.676 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000890939398 590861010 /nfs/dbraw/zinc/86/10/10/590861010.db2.gz TYBITYWRDXZQSV-HNNXBMFYSA-N 2 0 328.501 1.326 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000892229011 590874644 /nfs/dbraw/zinc/87/46/44/590874644.db2.gz LVQUKWTXIGJCNU-INIZCTEOSA-N 2 0 334.464 1.050 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@@H]1C(F)(F)F ZINC000892234984 590879545 /nfs/dbraw/zinc/87/95/45/590879545.db2.gz BNHRAMRDCXZWGV-XJFOESAGSA-N 2 0 348.413 1.782 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892258148 590890944 /nfs/dbraw/zinc/89/09/44/590890944.db2.gz ZLUWFSRRTFGZDX-MHORFTMASA-N 2 0 346.450 1.807 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CC23CC[NH2+]CC3)c1 ZINC000892266882 590899913 /nfs/dbraw/zinc/89/99/13/590899913.db2.gz NOHUXLRRLPSAGX-SJORKVTESA-N 2 0 344.459 1.493 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000893620560 591013455 /nfs/dbraw/zinc/01/34/55/591013455.db2.gz CRUFBLRRRHHULD-YSHGAJCASA-N 2 0 342.487 1.852 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891346711 591052256 /nfs/dbraw/zinc/05/22/56/591052256.db2.gz CCSMEAUIKMHBKO-MJGOQNOKSA-N 2 0 328.460 1.629 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891443143 591074260 /nfs/dbraw/zinc/07/42/60/591074260.db2.gz BLNPPKJNGDGIMQ-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)CC2)CC1 ZINC000891462003 591080338 /nfs/dbraw/zinc/08/03/38/591080338.db2.gz PLAOBNLILUMVDZ-HKUYNNGSSA-N 2 0 349.523 1.129 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000892587383 591082402 /nfs/dbraw/zinc/08/24/02/591082402.db2.gz LWZGIFHFDMGXLE-DFBDCSAJSA-N 2 0 334.508 1.938 20 0 EDADRP CCN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000891517178 591103120 /nfs/dbraw/zinc/10/31/20/591103120.db2.gz XTNHRDQBVBAOQF-KRWDZBQOSA-N 2 0 348.491 1.563 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891517956 591103737 /nfs/dbraw/zinc/10/37/37/591103737.db2.gz NWZUONKHFRMVFU-CRAIPNDOSA-N 2 0 336.480 1.215 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000891536609 591113834 /nfs/dbraw/zinc/11/38/34/591113834.db2.gz DNCDKJVJUJQUQK-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000893872401 591123449 /nfs/dbraw/zinc/12/34/49/591123449.db2.gz KMGGMFLFBUBWKS-CGQZWFTASA-N 2 0 331.460 1.851 20 0 EDADRP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000893876992 591125412 /nfs/dbraw/zinc/12/54/12/591125412.db2.gz DHGCYDXXIQLEOY-XWTMOSNGSA-N 2 0 328.460 1.635 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000891623140 591154349 /nfs/dbraw/zinc/15/43/49/591154349.db2.gz MFVCEHYCNQCEIN-DLBZAZTESA-N 2 0 338.496 1.103 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@H]1OC ZINC000892757347 591162202 /nfs/dbraw/zinc/16/22/02/591162202.db2.gz INZPSKTYODZQLP-GUDVDZBRSA-N 2 0 348.491 1.376 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892774672 591172639 /nfs/dbraw/zinc/17/26/39/591172639.db2.gz UFYQHODFSRKZTG-JKSUJKDBSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892797929 591181340 /nfs/dbraw/zinc/18/13/40/591181340.db2.gz UGOJPOCNUFBLFV-ATZDWAIDSA-N 2 0 342.487 1.969 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795305 591182453 /nfs/dbraw/zinc/18/24/53/591182453.db2.gz UQONPISHGJFEJX-MJGOQNOKSA-N 2 0 328.460 1.438 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000892943110 591232719 /nfs/dbraw/zinc/23/27/19/591232719.db2.gz DHWIUIMOSJQIPX-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000895627329 591235365 /nfs/dbraw/zinc/23/53/65/591235365.db2.gz FQECYXUWYHYHBV-PMPSAXMXSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C[C@@H]2C[C@@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000895700687 591252911 /nfs/dbraw/zinc/25/29/11/591252911.db2.gz ZMSITLCSBULIOR-APIJFGDWSA-N 3 0 332.330 1.831 20 0 EDADRP CC[S@@](=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894261302 591253646 /nfs/dbraw/zinc/25/36/46/591253646.db2.gz QVYGQYMGXRMGEH-HSZRJFAPSA-N 2 0 348.415 1.928 20 0 EDADRP CN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@H]1CCC[N@H+](C)C1 ZINC000895898908 591299194 /nfs/dbraw/zinc/29/91/94/591299194.db2.gz BYOCOGBHBNRIDP-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000894438073 591312448 /nfs/dbraw/zinc/31/24/48/591312448.db2.gz AESFIWNHFMZYQU-NEPJUHHUSA-N 2 0 339.509 1.995 20 0 EDADRP C[C@H](C[S@](C)=O)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894445184 591313536 /nfs/dbraw/zinc/31/35/36/591313536.db2.gz NXSRJKJHBUEMSK-WYVULQQZSA-N 2 0 348.415 1.926 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC1 ZINC000898595844 591429056 /nfs/dbraw/zinc/42/90/56/591429056.db2.gz KURPLOXNFXFOJJ-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP CO[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC000894854259 591444586 /nfs/dbraw/zinc/44/45/86/591444586.db2.gz FBWXCXLUGLUVOR-IAGOWNOFSA-N 2 0 325.497 1.916 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H](C)C1 ZINC000896400915 591452712 /nfs/dbraw/zinc/45/27/12/591452712.db2.gz PCNATRSALXDESI-AOIWGVFYSA-N 2 0 337.508 1.726 20 0 EDADRP CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)o1 ZINC000894896300 591463487 /nfs/dbraw/zinc/46/34/87/591463487.db2.gz UMFNCPBWDYZNGM-UHFFFAOYSA-N 2 0 337.464 1.565 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000894978168 591506670 /nfs/dbraw/zinc/50/66/70/591506670.db2.gz LGDYNFXSAGLSFX-UHFFFAOYSA-N 2 0 345.535 1.901 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH+](C)CCN1C ZINC000896567921 591529704 /nfs/dbraw/zinc/52/97/04/591529704.db2.gz JSEZMQCEEOHAME-UHOSZYNNSA-N 2 0 344.503 1.402 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000896623331 591556926 /nfs/dbraw/zinc/55/69/26/591556926.db2.gz CMXLNIABHGNBLW-INIZCTEOSA-N 3 0 326.529 1.591 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000841029421 591579929 /nfs/dbraw/zinc/57/99/29/591579929.db2.gz OSTQUAGCEHIETA-KGLIPLIRSA-N 2 0 333.423 1.238 20 0 EDADRP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000899159947 591707573 /nfs/dbraw/zinc/70/75/73/591707573.db2.gz YOGCUSDMDXVKQW-HZPDHXFCSA-N 2 0 335.496 1.124 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897101558 591739942 /nfs/dbraw/zinc/73/99/42/591739942.db2.gz ONVKCKIADFVGMA-INIZCTEOSA-N 2 0 337.508 1.581 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895458182 591764475 /nfs/dbraw/zinc/76/44/75/591764475.db2.gz VEVKFFBWLACVJM-SJORKVTESA-N 2 0 347.459 1.644 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NC[C@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000897229914 591779674 /nfs/dbraw/zinc/77/96/74/591779674.db2.gz YNWXJVVDGSHWRT-QGZVFWFLSA-N 2 0 325.497 1.065 20 0 EDADRP C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[NH+]1CCCCCC1 ZINC000898118647 591788008 /nfs/dbraw/zinc/78/80/08/591788008.db2.gz QUWZLOODCBVYMO-INIZCTEOSA-N 2 0 337.508 1.604 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)cc1 ZINC000900007749 591865596 /nfs/dbraw/zinc/86/55/96/591865596.db2.gz SDOWARSJXAKBKQ-FQEVSTJZSA-N 2 0 347.503 1.991 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900016166 591868934 /nfs/dbraw/zinc/86/89/34/591868934.db2.gz MINKKESOVRNCML-HKUYNNGSSA-N 2 0 333.476 1.600 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000900137140 591914000 /nfs/dbraw/zinc/91/40/00/591914000.db2.gz WSSGSXLQXHAYCJ-HNNXBMFYSA-N 2 0 335.477 1.539 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000900157789 591920207 /nfs/dbraw/zinc/92/02/07/591920207.db2.gz ITRRBDFKRVFDOG-FQEVSTJZSA-N 2 0 345.487 1.745 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000900307946 591983001 /nfs/dbraw/zinc/98/30/01/591983001.db2.gz VHVWHRKWVRJONW-KRWDZBQOSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900338746 591989065 /nfs/dbraw/zinc/98/90/65/591989065.db2.gz GPCRQRFPPZOQOZ-OAHLLOKOSA-N 2 0 335.496 1.685 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3nonc3c2)CC[NH2+]CC1 ZINC000902454521 591998761 /nfs/dbraw/zinc/99/87/61/591998761.db2.gz IMNPSIIJCUMJJU-GFCCVEGCSA-N 2 0 332.404 1.634 20 0 EDADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CNCCOC4)C[C@@H]3C2)cc1 ZINC000902516466 592009139 /nfs/dbraw/zinc/00/91/39/592009139.db2.gz DWNFABDUJZHEIN-YRPNKDGESA-N 2 0 329.488 1.865 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000900406222 592009694 /nfs/dbraw/zinc/00/96/94/592009694.db2.gz PBWXCDDHMPSTMQ-IEBWSBKVSA-N 2 0 333.476 1.561 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522777 592010348 /nfs/dbraw/zinc/01/03/48/592010348.db2.gz XWGJFMIMZFQZEN-GRYCIOLGSA-N 2 0 325.844 1.392 20 0 EDADRP O=C(Nc1ncc(-c2ccccc2)s1)N1CCNCC[NH2+]CC1 ZINC000900475928 592035393 /nfs/dbraw/zinc/03/53/93/592035393.db2.gz UGPDYOMFHPIEEW-UHFFFAOYSA-N 2 0 331.445 1.837 20 0 EDADRP CCn1cc(CONC(=[NH2+])[C@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000902727606 592053232 /nfs/dbraw/zinc/05/32/32/592053232.db2.gz XXTABENGDNITOA-MRXNPFEDSA-N 2 0 344.419 1.197 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cn(C)nn1 ZINC000902783202 592062141 /nfs/dbraw/zinc/06/21/41/592062141.db2.gz AYALCCUCFBLGJS-HNNXBMFYSA-N 2 0 329.452 1.073 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900731892 592111291 /nfs/dbraw/zinc/11/12/91/592111291.db2.gz QBMFXRHDIVXXCV-LXPRWKDFSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCO[C@]23CCOC3)(N2CCCCC2)CC1 ZINC000903104757 592120976 /nfs/dbraw/zinc/12/09/76/592120976.db2.gz XMLNBTHAWCMYOC-HKUYNNGSSA-N 2 0 337.508 1.474 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117108 592123645 /nfs/dbraw/zinc/12/36/45/592123645.db2.gz UNQRDVBYOVCOLD-DBDQLMEASA-N 2 0 332.492 1.867 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2)[C@@H]1C(C)C ZINC000903122006 592124236 /nfs/dbraw/zinc/12/42/36/592124236.db2.gz WFUVWARVVVCJJD-IYHZHHKNSA-N 2 0 335.536 1.929 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000903188574 592135539 /nfs/dbraw/zinc/13/55/39/592135539.db2.gz GOJXXRAGQTVQLS-CABCVRRESA-N 2 0 343.537 1.843 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484684 592177740 /nfs/dbraw/zinc/17/77/40/592177740.db2.gz VEBUJZNEBGMYTD-ROUUACIJSA-N 2 0 344.503 1.670 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C)C(=O)Nc1cccc(C)c1)C2 ZINC000903492664 592185643 /nfs/dbraw/zinc/18/56/43/592185643.db2.gz PMBJLKZJLQHZRE-ZTENYAIWSA-N 2 0 345.443 1.534 20 0 EDADRP COC(=O)[C@@H](c1ccccc1C)[N@@H+]1C[C@@H]2C[C@@H]([NH3+])C[C@]2(C(=O)OC)C1 ZINC000903493864 592186158 /nfs/dbraw/zinc/18/61/58/592186158.db2.gz YCTAZNZWZRDWDF-ZDXGLAPJSA-N 2 0 346.427 1.421 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510240 592190619 /nfs/dbraw/zinc/19/06/19/592190619.db2.gz FJVURUFNFFLJLR-LZQZEXGQSA-N 2 0 342.487 1.914 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900979271 592191505 /nfs/dbraw/zinc/19/15/05/592191505.db2.gz SKDOQGHQECPLAY-IBGZPJMESA-N 2 0 339.524 1.708 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998267 592201356 /nfs/dbraw/zinc/20/13/56/592201356.db2.gz YJUMGRKNIHEOMK-IAGOWNOFSA-N 2 0 336.524 1.534 20 0 EDADRP [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)CC2CC[NH2+]CC2)CCC1 ZINC000903545749 592204123 /nfs/dbraw/zinc/20/41/23/592204123.db2.gz CAIALLNPLOLLBV-OAHLLOKOSA-N 2 0 329.510 1.299 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NCCCCCC1CC[NH2+]CC1 ZINC000903562061 592210510 /nfs/dbraw/zinc/21/05/10/592210510.db2.gz WHCYVWYQGZKEDK-UHFFFAOYSA-N 2 0 345.553 1.952 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C(C)(C)C[NH+](C)C ZINC000906655631 592238491 /nfs/dbraw/zinc/23/84/91/592238491.db2.gz BIQPKYKCAAUCFF-CYBMUJFWSA-N 2 0 348.491 1.911 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CC[NH2+]CC[NH2+]CC2)CC1 ZINC000904397118 592244967 /nfs/dbraw/zinc/24/49/67/592244967.db2.gz ZMDZEUPVZBTMQY-UHFFFAOYSA-N 3 0 345.535 1.213 20 0 EDADRP CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904428443 592253442 /nfs/dbraw/zinc/25/34/42/592253442.db2.gz LGFSVHTTZUGITA-HZSPNIEDSA-N 2 0 345.451 1.574 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCC(S(=O)(=O)N3CCCCC3)CC2)CC[NH2+]1 ZINC000904433116 592255864 /nfs/dbraw/zinc/25/58/64/592255864.db2.gz KJOCSRCDBXYMSP-HZPDHXFCSA-N 2 0 343.537 1.655 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906677382 592257648 /nfs/dbraw/zinc/25/76/48/592257648.db2.gz CRPJJOWFJZSXNE-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC000906682308 592263942 /nfs/dbraw/zinc/26/39/42/592263942.db2.gz OITHGMXURNYQKL-UHFFFAOYSA-N 2 0 344.459 1.418 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]Cc3ccc(N4CC[NH2+]CC4)o3)[C@@H]2C1 ZINC000904475181 592269627 /nfs/dbraw/zinc/26/96/27/592269627.db2.gz ZIRGLWOKQRANIG-XOUADPBQSA-N 2 0 333.432 1.367 20 0 EDADRP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727772 592286145 /nfs/dbraw/zinc/28/61/45/592286145.db2.gz XEJAHVIEBAGXOI-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732617 592287982 /nfs/dbraw/zinc/28/79/82/592287982.db2.gz FQJXXDWYHVSGPH-QUCCMNQESA-N 2 0 345.487 1.724 20 0 EDADRP Cc1ccccc1C[NH+]1CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732963 592289374 /nfs/dbraw/zinc/28/93/74/592289374.db2.gz IMTGYOYYFFMJQC-PMACEKPBSA-N 2 0 329.488 1.881 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@@H]2C[C@H]3OCC[C@H]3[NH2+]2)n1 ZINC000904605368 592294321 /nfs/dbraw/zinc/29/43/21/592294321.db2.gz UAZHOTWYXQTLBY-IJEWVQPXSA-N 2 0 344.415 1.869 20 0 EDADRP Fc1cccc(CN2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903753832 592298838 /nfs/dbraw/zinc/29/88/38/592298838.db2.gz YQEIRVKXEGYLGO-OALUTQOASA-N 2 0 333.451 1.712 20 0 EDADRP Cc1csc(N2CC[N@@H+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)C[C@H]2C)n1 ZINC000903740845 592303319 /nfs/dbraw/zinc/30/33/19/592303319.db2.gz ZWGUNHHNKYGCGN-VYDXJSESSA-N 2 0 336.505 1.731 20 0 EDADRP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903740621 592303450 /nfs/dbraw/zinc/30/34/50/592303450.db2.gz XZETVCKOCUUUQC-ZWKOTPCHSA-N 2 0 347.507 1.766 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904652094 592304188 /nfs/dbraw/zinc/30/41/88/592304188.db2.gz MCXGDKNODWVATF-AWEZNQCLSA-N 2 0 334.464 1.702 20 0 EDADRP COC(=O)CC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCOCC1 ZINC000903755825 592314292 /nfs/dbraw/zinc/31/42/92/592314292.db2.gz MDDQCJRRYQQKHN-MRXNPFEDSA-N 2 0 340.464 1.189 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000906755418 592334389 /nfs/dbraw/zinc/33/43/89/592334389.db2.gz DGHOWOAHQWGCLK-UHFFFAOYSA-N 2 0 334.464 1.391 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000904927695 592349811 /nfs/dbraw/zinc/34/98/11/592349811.db2.gz IHVYOEJDDYZBMW-DDUZABMNSA-N 2 0 337.439 1.914 20 0 EDADRP C[NH+](C)CCn1ccc(-c2nc([C@H]3C[N@@H+]4CCC[C@H]4CO3)no2)n1 ZINC000904931212 592349973 /nfs/dbraw/zinc/34/99/73/592349973.db2.gz HYMZJIRGUAUAOY-GXTWGEPZSA-N 2 0 332.408 1.030 20 0 EDADRP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889644 592351337 /nfs/dbraw/zinc/35/13/37/592351337.db2.gz UUGZWUGSMRFVOT-HZPDHXFCSA-N 2 0 335.496 1.084 20 0 EDADRP FC(F)n1ccnc1CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903889824 592351774 /nfs/dbraw/zinc/35/17/74/592351774.db2.gz VYTGRTYSKZGLPP-GOOCMWNKSA-N 2 0 339.434 1.926 20 0 EDADRP CN(C)[S@](C)(=O)=NCC1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903870398 592353782 /nfs/dbraw/zinc/35/37/82/592353782.db2.gz FRBLJZNYRFGQIP-KSFYIVLOSA-N 2 0 330.542 1.663 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cnn1C ZINC000903880079 592361099 /nfs/dbraw/zinc/36/10/99/592361099.db2.gz NYCPRMPGNFAICL-IEBWSBKVSA-N 2 0 349.523 1.033 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H]2C[NH+]2CCCCC2)cnn1C ZINC000903886807 592365274 /nfs/dbraw/zinc/36/52/74/592365274.db2.gz SXYQIRUTONYCHF-PKOBYXMFSA-N 2 0 333.524 1.796 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cnn1C ZINC000903934188 592386760 /nfs/dbraw/zinc/38/67/60/592386760.db2.gz DCYOYJRZJPDQSP-YUELXQCFSA-N 2 0 347.429 1.305 20 0 EDADRP C[C@@](O)(C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000905079780 592388427 /nfs/dbraw/zinc/38/84/27/592388427.db2.gz IWOFTZHWCCIOPO-MRXNPFEDSA-N 2 0 328.407 1.199 20 0 EDADRP Cc1cc([C@@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]n1 ZINC000903917422 592389160 /nfs/dbraw/zinc/38/91/60/592389160.db2.gz LTHSHGGGTFAYMW-JKSUJKDBSA-N 2 0 330.480 1.757 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)C1 ZINC000903947730 592393726 /nfs/dbraw/zinc/39/37/26/592393726.db2.gz GHVFJXOYZIABKA-FUHWJXTLSA-N 2 0 337.508 1.712 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000908230463 592394417 /nfs/dbraw/zinc/39/44/17/592394417.db2.gz OSKURXASXDQVQP-LPHOPBHVSA-N 2 0 344.503 1.259 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccc3cnccc31)C2 ZINC000903977684 592399322 /nfs/dbraw/zinc/39/93/22/592399322.db2.gz VZAGBORGDSLFEQ-FCEWJHQRSA-N 2 0 325.412 1.947 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@]3(C)COC(=O)N3)C2)cnn1C ZINC000903986710 592406450 /nfs/dbraw/zinc/40/64/50/592406450.db2.gz PXJQNZNIEQRRBQ-UWWQBHOKSA-N 2 0 349.479 1.056 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905110243 592410759 /nfs/dbraw/zinc/41/07/59/592410759.db2.gz LHLGAQBWOUDKNE-KRWDZBQOSA-N 2 0 327.513 1.050 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000905178176 592456739 /nfs/dbraw/zinc/45/67/39/592456739.db2.gz ZXXGCNPVBJFXIK-BRWVUGGUSA-N 2 0 326.481 1.010 20 0 EDADRP Cn1cc(-c2nc(CC3CC[NH2+]CC3)no2)c([C@H]2CCC[NH2+]C2)n1 ZINC000905315125 592495704 /nfs/dbraw/zinc/49/57/04/592495704.db2.gz SDYMYUWMUZKRJB-ZDUSSCGKSA-N 2 0 330.436 1.479 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905344653 592500844 /nfs/dbraw/zinc/50/08/44/592500844.db2.gz QEQKCHQRJXHXIB-UHFFFAOYSA-N 2 0 325.478 1.167 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1 ZINC000907089771 592515966 /nfs/dbraw/zinc/51/59/66/592515966.db2.gz GNHFGVNUPSPFSB-WNRNVDISSA-N 2 0 337.508 1.819 20 0 EDADRP C[NH+]1CCC2(CCC(NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)CC1 ZINC000908489564 592516477 /nfs/dbraw/zinc/51/64/77/592516477.db2.gz GFSOEVSEPFXSRD-DLBZAZTESA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000905509784 592548253 /nfs/dbraw/zinc/54/82/53/592548253.db2.gz QRUXOGQMWSEQLJ-OAGGEKHMSA-N 2 0 341.496 1.536 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000905600803 592574456 /nfs/dbraw/zinc/57/44/56/592574456.db2.gz NSZLUCDVDAKZNA-CGZBRXJRSA-N 2 0 326.481 1.276 20 0 EDADRP C[C@H](NC(=O)C[C@]1(O)CCC[N@H+](C)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000907288334 592585690 /nfs/dbraw/zinc/58/56/90/592585690.db2.gz ZFZOIMKUSITNGT-TXPKVOOTSA-N 2 0 337.508 1.602 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218837 592760733 /nfs/dbraw/zinc/76/07/33/592760733.db2.gz OEFLGSUESWOKTK-HOTGVXAUSA-N 2 0 331.464 1.047 20 0 EDADRP C[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCO1 ZINC000906470369 592830049 /nfs/dbraw/zinc/83/00/49/592830049.db2.gz CCCYGYKHKPRAEX-AEFFLSMTSA-N 2 0 346.475 1.525 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906529900 592838200 /nfs/dbraw/zinc/83/82/00/592838200.db2.gz FYWARLOMRBTJHT-UHFFFAOYSA-N 2 0 346.519 1.590 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000907951838 592854997 /nfs/dbraw/zinc/85/49/97/592854997.db2.gz APQLNPIPAXEPSG-QGZVFWFLSA-N 2 0 347.507 1.972 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000906645150 592865673 /nfs/dbraw/zinc/86/56/73/592865673.db2.gz QVAXOQIYBDWJIR-QGZVFWFLSA-N 2 0 340.427 1.503 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[N@H+](CCO)C(C)C)CC1)[NH+](C)C ZINC000910860310 592897591 /nfs/dbraw/zinc/89/75/91/592897591.db2.gz AYOXBILOFKIFOT-QGZVFWFLSA-N 2 0 327.513 1.514 20 0 EDADRP CC[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CC[N@@H+]1CCOC ZINC000735245324 592979609 /nfs/dbraw/zinc/97/96/09/592979609.db2.gz DGMJFQPBVZRKEA-OAHLLOKOSA-N 2 0 344.569 1.491 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000911804095 593013605 /nfs/dbraw/zinc/01/36/05/593013605.db2.gz ZQUMDCFGUUCCIP-NJGYHNCTSA-N 2 0 331.460 1.884 20 0 EDADRP CC[C@H]1CCc2[nH]c(=O)c(C(=O)N3CCN(C)C[C@@H]3C[NH3+])cc2C1 ZINC000911877648 593029462 /nfs/dbraw/zinc/02/94/62/593029462.db2.gz AVWSSALKASTKOQ-JSGCOSHPSA-N 2 0 332.448 1.017 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000912401013 593093255 /nfs/dbraw/zinc/09/32/55/593093255.db2.gz IAKLKKUMPMVUNL-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CN(C)[C@H](C(=O)N(C)CC[N@H+](C)CCO)c1ccc(Cl)cc1 ZINC000912600559 593106216 /nfs/dbraw/zinc/10/62/16/593106216.db2.gz XGOFFWSOAKKERM-HNNXBMFYSA-N 2 0 327.856 1.325 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817935609 593650244 /nfs/dbraw/zinc/65/02/44/593650244.db2.gz KBGQIKSFABMXLK-INIZCTEOSA-N 2 0 330.476 1.759 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817945695 593651165 /nfs/dbraw/zinc/65/11/65/593651165.db2.gz JTYINWYLSQHXLX-AWEZNQCLSA-N 2 0 346.431 1.116 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]CCC(=O)Nc1ccc(N(C)C)cc1 ZINC000819033184 593734695 /nfs/dbraw/zinc/73/46/95/593734695.db2.gz LIUHOVFLMHFQFQ-MRXNPFEDSA-N 2 0 347.507 1.307 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000819034705 593734860 /nfs/dbraw/zinc/73/48/60/593734860.db2.gz QCQWGMMBBMOAPW-WBMJQRKESA-N 2 0 329.847 1.738 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819059682 593736662 /nfs/dbraw/zinc/73/66/62/593736662.db2.gz DGJSFPWBVGTSTO-MRXNPFEDSA-N 2 0 327.419 1.614 20 0 EDADRP Cc1ccc(N2CCC[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)cc1 ZINC000819112960 593739609 /nfs/dbraw/zinc/73/96/09/593739609.db2.gz KKTFRNBIHVFAJX-AZUAARDMSA-N 2 0 346.519 1.162 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000821452800 593838710 /nfs/dbraw/zinc/83/87/10/593838710.db2.gz HRZVADVEVHKXHA-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1-c1nn[nH]n1 ZINC000821809552 593945514 /nfs/dbraw/zinc/94/55/14/593945514.db2.gz OSYMHVAEICNDRU-ZDUSSCGKSA-N 2 0 330.436 1.697 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1)CN1CC[NH+](C)CC1 ZINC000824427783 594009480 /nfs/dbraw/zinc/00/94/80/594009480.db2.gz OWDAKVXIULVDNZ-CABCVRRESA-N 2 0 343.479 1.401 20 0 EDADRP CCC(F)(F)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000824894102 594092652 /nfs/dbraw/zinc/09/26/52/594092652.db2.gz AMTBWKUDLFHPLF-UHFFFAOYSA-N 2 0 326.391 1.755 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822950758 594127431 /nfs/dbraw/zinc/12/74/31/594127431.db2.gz AOEXIPRFWXEMCZ-CQSZACIVSA-N 2 0 342.447 1.426 20 0 EDADRP C[C@H]([NH3+])CCc1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000822951507 594127848 /nfs/dbraw/zinc/12/78/48/594127848.db2.gz SXIQTGOUJKBKLB-ZDUSSCGKSA-N 2 0 330.436 1.553 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459502 594188691 /nfs/dbraw/zinc/18/86/91/594188691.db2.gz LZBZJPMBVYDZAS-HNNXBMFYSA-N 2 0 343.479 1.545 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827863682 594292834 /nfs/dbraw/zinc/29/28/34/594292834.db2.gz OHYNOUCXYMIMAJ-HNNXBMFYSA-N 2 0 325.453 1.038 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CCCCC[NH3+])c2ccccc2)CC1 ZINC000828501188 594438461 /nfs/dbraw/zinc/43/84/61/594438461.db2.gz ARBGBQCAEMKOGZ-SFHVURJKSA-N 2 0 332.492 1.610 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000831138337 594566199 /nfs/dbraw/zinc/56/61/99/594566199.db2.gz RLERXYOMLGWXKI-DLBZAZTESA-N 2 0 340.512 1.573 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@H](c2ccccc2)C1 ZINC000826907505 594599700 /nfs/dbraw/zinc/59/97/00/594599700.db2.gz QEYDQDLHZLKELN-OALUTQOASA-N 2 0 344.503 1.609 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831411708 594626135 /nfs/dbraw/zinc/62/61/35/594626135.db2.gz FOBKLSRLMWCKKT-MRXNPFEDSA-N 2 0 325.403 1.982 20 0 EDADRP CC1CCC(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000867123947 594838660 /nfs/dbraw/zinc/83/86/60/594838660.db2.gz GOPQSOYJMGPGTR-UHFFFAOYSA-N 2 0 345.553 1.853 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000841326289 594885306 /nfs/dbraw/zinc/88/53/06/594885306.db2.gz UVAAPAXUTSHJCT-KBPBESRZSA-N 2 0 348.422 1.456 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccc(-n4ccnc4)nc3)C[C@@H]21 ZINC000836211554 594939162 /nfs/dbraw/zinc/93/91/62/594939162.db2.gz SDHZJDYKHGIYAM-CABCVRRESA-N 2 0 326.404 1.113 20 0 EDADRP [NH3+]CCN(CCO)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000841819720 594957968 /nfs/dbraw/zinc/95/79/68/594957968.db2.gz DQKQRSKLIHZWEO-QGZVFWFLSA-N 2 0 334.464 1.176 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932517 594984580 /nfs/dbraw/zinc/98/45/80/594984580.db2.gz FADOMCBNXSKMEG-CRAIPNDOSA-N 2 0 330.476 1.956 20 0 EDADRP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364408 595088230 /nfs/dbraw/zinc/08/82/30/595088230.db2.gz IAOYPFNOCBLAKI-WCQYABFASA-N 2 0 329.400 1.921 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)cc1 ZINC000834563519 595163306 /nfs/dbraw/zinc/16/33/06/595163306.db2.gz DNRVJFWGNRDAJT-IBGZPJMESA-N 2 0 333.476 1.319 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC(C)(C)C[NH+](C)C ZINC000846252714 595187582 /nfs/dbraw/zinc/18/75/82/595187582.db2.gz UMTFRZPRFQQENI-ZDUSSCGKSA-N 2 0 344.500 1.288 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000843073426 595281337 /nfs/dbraw/zinc/28/13/37/595281337.db2.gz PMPKJTVNIVJZQI-YOEHRIQHSA-N 2 0 328.403 1.825 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000844170960 595290395 /nfs/dbraw/zinc/29/03/95/595290395.db2.gz VPVCQZCSDSMPHU-QZTJIDSGSA-N 2 0 331.460 1.708 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000844190921 595298113 /nfs/dbraw/zinc/29/81/13/595298113.db2.gz FTGXAFZFNYRESS-OAHLLOKOSA-N 2 0 338.402 1.622 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192455 595298661 /nfs/dbraw/zinc/29/86/61/595298661.db2.gz SHYXRVSDRZWBGF-SFHVURJKSA-N 2 0 346.475 1.141 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)c1 ZINC000843186524 595301255 /nfs/dbraw/zinc/30/12/55/595301255.db2.gz YYYBNYIEPUDKJF-HNNXBMFYSA-N 2 0 332.404 1.208 20 0 EDADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219589 595305199 /nfs/dbraw/zinc/30/51/99/595305199.db2.gz LRSOQJUOBZHXGA-OAHLLOKOSA-N 2 0 332.448 1.132 20 0 EDADRP CN(C(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)c1ccc(OCC[NH+](C)C)cc1 ZINC000848414188 595375290 /nfs/dbraw/zinc/37/52/90/595375290.db2.gz MDQUAQITAUKHMC-PKOBYXMFSA-N 2 0 331.460 1.980 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000847553518 595446012 /nfs/dbraw/zinc/44/60/12/595446012.db2.gz SKYFXZRLRJXMOE-UHFFFAOYSA-N 2 0 347.507 1.972 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000849018783 595475045 /nfs/dbraw/zinc/47/50/45/595475045.db2.gz ADUCXAFVXCFWSW-CQSZACIVSA-N 2 0 339.484 1.452 20 0 EDADRP [NH2+]=C(NC[C@@H](O)C(F)(F)F)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849059406 595476461 /nfs/dbraw/zinc/47/64/61/595476461.db2.gz SMDSZDWXEPBURJ-CQSZACIVSA-N 2 0 344.381 1.688 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1n[nH]cc1Br ZINC000849099136 595481754 /nfs/dbraw/zinc/48/17/54/595481754.db2.gz NFPXRLCAVNWYMO-VIFPVBQESA-N 2 0 329.246 1.270 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC2=[NH+]CCCN2C)CC1 ZINC000849110939 595483635 /nfs/dbraw/zinc/48/36/35/595483635.db2.gz PKSGXYRJWKBDAZ-UHFFFAOYSA-N 2 0 329.492 1.605 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+]1CCCCC1 ZINC000849504910 595553337 /nfs/dbraw/zinc/55/33/37/595553337.db2.gz GNNHANIEWKXOAT-BPQIPLTHSA-N 2 0 347.507 1.446 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cccc2c1CC[NH2+]C2 ZINC000852875677 595593193 /nfs/dbraw/zinc/59/31/93/595593193.db2.gz NCGDCOOOBAALES-UHFFFAOYSA-N 2 0 325.416 1.706 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879220 595595089 /nfs/dbraw/zinc/59/50/89/595595089.db2.gz SMIXBKILGKEMRN-RYRKJORJSA-N 2 0 344.459 1.289 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=S)NCC2CC[NH+](C)CC2)CCO1 ZINC000853052020 595650165 /nfs/dbraw/zinc/65/01/65/595650165.db2.gz MDHKELWOGPYYNC-MRXNPFEDSA-N 2 0 342.553 1.245 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000855346764 595681742 /nfs/dbraw/zinc/68/17/42/595681742.db2.gz LNNVWFMJIDJFIP-YJBOKZPZSA-N 2 0 344.519 1.587 20 0 EDADRP CCOC(=O)N1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000850021661 595720600 /nfs/dbraw/zinc/72/06/00/595720600.db2.gz BWTGYIBSSBHLQF-UHFFFAOYSA-N 2 0 329.404 1.978 20 0 EDADRP O=[S@@](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC(F)(F)F ZINC000850349922 595815022 /nfs/dbraw/zinc/81/50/22/595815022.db2.gz MAOOHACPNAUEEI-QFIPXVFZSA-N 2 0 332.351 1.668 20 0 EDADRP O[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)c1ccccn1 ZINC000851911917 595971734 /nfs/dbraw/zinc/97/17/34/595971734.db2.gz HIVGZDLMHXNLCP-IBGZPJMESA-N 2 0 333.476 1.939 20 0 EDADRP CC[C@@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000854146745 595989757 /nfs/dbraw/zinc/98/97/57/595989757.db2.gz ZOIXGPMSERFSNZ-CQSZACIVSA-N 2 0 330.436 1.944 20 0 EDADRP COc1ccc2c(c1)CC[C@@H]2C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000859223471 596008974 /nfs/dbraw/zinc/00/89/74/596008974.db2.gz YILPALLBDNCQGE-SFHVURJKSA-N 2 0 333.476 1.677 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H]2CC[NH+]2C(C)(C)C)C[C@@H]1C ZINC000854244569 596013775 /nfs/dbraw/zinc/01/37/75/596013775.db2.gz LFQIANSHFBBUCJ-OWCLPIDISA-N 2 0 340.512 1.610 20 0 EDADRP C[Si](C)(CC[NH+]1CC[C@@]2(O)C[C@H]2C1)CC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000859351703 596060357 /nfs/dbraw/zinc/06/03/57/596060357.db2.gz IPLSHDCNRMTVFV-WNRNVDISSA-N 2 0 338.568 1.608 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000854641913 596146169 /nfs/dbraw/zinc/14/61/69/596146169.db2.gz HLTFSSAQBIXAJX-IIDMSEBBSA-N 2 0 341.471 1.521 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCN2C(=O)c3ccccc3C2=O)C1 ZINC000866703625 596301229 /nfs/dbraw/zinc/30/12/29/596301229.db2.gz MVSGMLUNAZUAFQ-IBGZPJMESA-N 2 0 329.444 1.980 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCCCC2CCOCC2)C1 ZINC000866711515 596304826 /nfs/dbraw/zinc/30/48/26/596304826.db2.gz LWXSMUJCRXTWED-YESZJQIVSA-N 2 0 337.464 1.450 20 0 EDADRP [NH3+][C@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc(Br)c1 ZINC000870947659 596415649 /nfs/dbraw/zinc/41/56/49/596415649.db2.gz GXRRLNGRKPDSCB-ZDUSSCGKSA-N 2 0 338.249 1.803 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)cc2F)CC1 ZINC000871012591 596438774 /nfs/dbraw/zinc/43/87/74/596438774.db2.gz XHUZSYFVAOIWRG-KXBFYZLASA-N 2 0 346.450 1.906 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)CCC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000867590181 596448989 /nfs/dbraw/zinc/44/89/89/596448989.db2.gz WVJAPZVSLUPEPV-HUUCEWRRSA-N 2 0 333.542 1.424 20 0 EDADRP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863541722 596613061 /nfs/dbraw/zinc/61/30/61/596613061.db2.gz AVXXKCOVOVQNSA-NSHDSACASA-N 2 0 336.404 1.570 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C4=CC[C@@H]([NH3+])C4)n3)c2)CC1 ZINC000863665728 596650203 /nfs/dbraw/zinc/65/02/03/596650203.db2.gz MWLNUVSLIJZWHT-CYBMUJFWSA-N 2 0 326.404 1.388 20 0 EDADRP C[C@H](CNC(=O)/C=C/CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000865696445 596652505 /nfs/dbraw/zinc/65/25/05/596652505.db2.gz DIYJLDYYGTTYPD-RCMYXZNBSA-N 2 0 331.460 1.512 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2conc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870017514 596709604 /nfs/dbraw/zinc/70/96/04/596709604.db2.gz BLHXGHUCWUGTMO-GHMZBOCLSA-N 2 0 348.369 1.505 20 0 EDADRP C/C(=C\C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cnccn1 ZINC000870017711 596709732 /nfs/dbraw/zinc/70/97/32/596709732.db2.gz QNXUUBVZSYDCDN-RCVIBLRSSA-N 2 0 331.464 1.078 20 0 EDADRP Cc1ccn([C@H](C)CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870017983 596710150 /nfs/dbraw/zinc/71/01/50/596710150.db2.gz WCFLINRDDSFTKJ-BRWVUGGUSA-N 2 0 335.496 1.340 20 0 EDADRP Cc1nn(C(C)(C)C)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022057 596712690 /nfs/dbraw/zinc/71/26/90/596712690.db2.gz NGRPQKRWSZINNV-HZPDHXFCSA-N 2 0 349.523 1.758 20 0 EDADRP Cc1nn(C)c(C)c1[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023108 596713216 /nfs/dbraw/zinc/71/32/16/596713216.db2.gz LRVSFSKJLXKKTH-KBRIMQKVSA-N 2 0 349.523 1.338 20 0 EDADRP CC(C)CCO[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023423 596713398 /nfs/dbraw/zinc/71/33/98/596713398.db2.gz XQQFATXDUFTNBE-GVDBMIGSSA-N 2 0 327.513 1.635 20 0 EDADRP Cc1cccc(C)c1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024878 596714591 /nfs/dbraw/zinc/71/45/91/596714591.db2.gz VVYRNOBSQMJNKA-QZTJIDSGSA-N 2 0 347.503 1.880 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3nccn3CC(F)(F)F)CC[C@@H]21 ZINC000868219959 596731809 /nfs/dbraw/zinc/73/18/09/596731809.db2.gz ODAGHHQMZDIFJO-RYUDHWBXSA-N 2 0 345.369 1.681 20 0 EDADRP CC[C@H]1CN(CC)CCN1C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868242814 596742662 /nfs/dbraw/zinc/74/26/62/596742662.db2.gz BLWGWWLONMFAGX-YESZJQIVSA-N 2 0 344.459 1.382 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccc(C(=O)NC3CC3)cn2)C[C@H]1C[NH+](C)C ZINC000866010559 596756886 /nfs/dbraw/zinc/75/68/86/596756886.db2.gz LTHUIMJQEHYWQT-HZPDHXFCSA-N 2 0 345.491 1.149 20 0 EDADRP COc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866041816 596769904 /nfs/dbraw/zinc/76/99/04/596769904.db2.gz ZVZLAFVFRMJRDE-IAGOWNOFSA-N 2 0 348.491 1.576 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868362509 596802013 /nfs/dbraw/zinc/80/20/13/596802013.db2.gz ZYXAVGJDHGTXHF-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cccc3ncccc23)C1 ZINC000872146326 596810104 /nfs/dbraw/zinc/81/01/04/596810104.db2.gz LKRIRKLQACGGAJ-FHLIZLRMSA-N 2 0 338.411 1.602 20 0 EDADRP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000872146154 596810221 /nfs/dbraw/zinc/81/02/21/596810221.db2.gz GYEAUQDXRVPZLY-BSDSXHPESA-N 2 0 337.508 1.508 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](C[C@@H]2C[C@H]3CCC[C@H]3O2)CC1 ZINC000872145813 596810585 /nfs/dbraw/zinc/81/05/85/596810585.db2.gz ZLKAJJOZFZAUSS-UVLCOCDESA-N 2 0 335.448 1.201 20 0 EDADRP NC(=O)NC(=O)CC[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000872223240 596842115 /nfs/dbraw/zinc/84/21/15/596842115.db2.gz OXYZNDABINCEJF-UHFFFAOYSA-N 2 0 332.448 1.463 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc3ncccc3c2)C1 ZINC000872255422 596856725 /nfs/dbraw/zinc/85/67/25/596856725.db2.gz WOLMTFBYTOBUOE-RYQLBKOJSA-N 2 0 338.411 1.602 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874008352 596896881 /nfs/dbraw/zinc/89/68/81/596896881.db2.gz YQVLVZQOJDJTLN-UHFFFAOYSA-N 2 0 330.476 1.858 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000874170430 596950738 /nfs/dbraw/zinc/95/07/38/596950738.db2.gz MBGSACKLAFMNCB-RDJZCZTQSA-N 2 0 344.459 1.239 20 0 EDADRP CCn1c(C)nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1=S ZINC000872636513 597003045 /nfs/dbraw/zinc/00/30/45/597003045.db2.gz JLGATZBEWIPCIE-HUUCEWRRSA-N 2 0 340.541 1.371 20 0 EDADRP CC(C)C[C@@H]1CC(=O)N(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000872636416 597003087 /nfs/dbraw/zinc/00/30/87/597003087.db2.gz MZQAMQFIRRDNNO-KZNAEPCWSA-N 2 0 338.540 1.510 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000874431587 597075631 /nfs/dbraw/zinc/07/56/31/597075631.db2.gz ACEAOJRKHXGXKV-GOSISDBHSA-N 2 0 330.476 1.873 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)N(C)CC[NH+](C)C)C2)c1 ZINC000876194087 597127762 /nfs/dbraw/zinc/12/77/62/597127762.db2.gz SWOJLUZKGVCNTN-GOSISDBHSA-N 2 0 348.491 1.399 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000876202758 597133121 /nfs/dbraw/zinc/13/31/21/597133121.db2.gz VLEKVFCOQBPZEO-KRWDZBQOSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccnn1C ZINC000876276599 597158640 /nfs/dbraw/zinc/15/86/40/597158640.db2.gz RMMLVDFTYVJPDX-HNNXBMFYSA-N 2 0 338.500 1.396 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CCCCCC[NH3+])ccc1C[NH+](C)C ZINC000873111181 597199288 /nfs/dbraw/zinc/19/92/88/597199288.db2.gz HGQSBTIPQQGXCR-UHFFFAOYSA-N 2 0 348.491 1.973 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876519532 597227983 /nfs/dbraw/zinc/22/79/83/597227983.db2.gz GYQGTYYURCWUMP-CZUORRHYSA-N 2 0 349.406 1.482 20 0 EDADRP CC[C@@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[NH+](C)C ZINC000876520661 597228779 /nfs/dbraw/zinc/22/87/79/597228779.db2.gz MZKIRKCLNOOZEW-CVEARBPZSA-N 2 0 333.432 1.874 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000876543311 597234106 /nfs/dbraw/zinc/23/41/06/597234106.db2.gz KCPHKYJQTZPMDY-CAPXZKIUSA-N 2 0 337.851 1.218 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CCO1 ZINC000876542952 597234199 /nfs/dbraw/zinc/23/41/99/597234199.db2.gz APOZOOOMACZKPZ-TVYUQYBPSA-N 2 0 331.338 1.280 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000873266094 597243101 /nfs/dbraw/zinc/24/31/01/597243101.db2.gz LOLGSGYUKNVABB-OALUTQOASA-N 2 0 335.492 1.539 20 0 EDADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000876716262 597301639 /nfs/dbraw/zinc/30/16/39/597301639.db2.gz WCELPIRZLDOWSG-CSHXORCISA-N 2 0 327.472 1.929 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)/C=C\[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876742776 597317488 /nfs/dbraw/zinc/31/74/88/597317488.db2.gz TUFWKZPLOXQVTM-AWFCHZOYSA-N 2 0 334.508 1.217 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000876764996 597329306 /nfs/dbraw/zinc/32/93/06/597329306.db2.gz QCRZXCJADMKXPV-FXUDXRNXSA-N 2 0 329.460 1.187 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876765919 597330567 /nfs/dbraw/zinc/33/05/67/597330567.db2.gz WQIPQMKPBAZJBG-LSDHHAIUSA-N 2 0 343.512 1.802 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876777363 597336142 /nfs/dbraw/zinc/33/61/42/597336142.db2.gz WGBPFUSYBJVIMY-QWRGUYRKSA-N 2 0 345.356 1.949 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000876854332 597360411 /nfs/dbraw/zinc/36/04/11/597360411.db2.gz QZUYJVLRVIRTKB-SJORKVTESA-N 2 0 345.491 1.578 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876883394 597368592 /nfs/dbraw/zinc/36/85/92/597368592.db2.gz GKFXNILFKRTFAH-PMPSAXMXSA-N 2 0 331.464 1.425 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(C(F)(F)F)c2)CCCO1 ZINC000876920220 597385762 /nfs/dbraw/zinc/38/57/62/597385762.db2.gz KNSZNMXNBBOXBT-CHWSQXEVSA-N 2 0 331.338 1.281 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876965691 597400116 /nfs/dbraw/zinc/40/01/16/597400116.db2.gz HULACIVQZPGSKD-BMFAXAFESA-N 2 0 331.435 1.920 20 0 EDADRP COC(=O)c1cccc2c(C[NH2+]CC3(O)CC[NH+](C)CC3)ccnc12 ZINC000877061243 597424445 /nfs/dbraw/zinc/42/44/45/597424445.db2.gz BFDWSTONMSDODQ-UHFFFAOYSA-N 2 0 343.427 1.568 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000877188729 597456204 /nfs/dbraw/zinc/45/62/04/597456204.db2.gz HSUWUYJHMFYMBV-UHFFFAOYSA-N 2 0 342.487 1.681 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000877200112 597459931 /nfs/dbraw/zinc/45/99/31/597459931.db2.gz FFXRYLCLJKIEIW-UHFFFAOYSA-N 2 0 348.495 1.443 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH3+])C3)cc2)CC1 ZINC000877244038 597476655 /nfs/dbraw/zinc/47/66/55/597476655.db2.gz XHNPMCOIAVFNCG-WOVMCDHWSA-N 2 0 330.476 1.684 20 0 EDADRP Cc1ccccc1NC(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000873982489 597478370 /nfs/dbraw/zinc/47/83/70/597478370.db2.gz CCMKZIVSHKNPEI-HZPDHXFCSA-N 2 0 346.475 1.131 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250294 597479701 /nfs/dbraw/zinc/47/97/01/597479701.db2.gz OOQQFSBWHJTDBW-OAGGEKHMSA-N 2 0 331.464 1.282 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000877266499 597483667 /nfs/dbraw/zinc/48/36/67/597483667.db2.gz GANYPMHOJWSMQI-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H](C[NH2+]Cc1c2c(nn1C)CCSC2)CN1CC[NH+](C)CC1 ZINC000882979858 597605532 /nfs/dbraw/zinc/60/55/32/597605532.db2.gz PDXFALMPOHRUOL-CQSZACIVSA-N 2 0 337.537 1.183 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878513180 597618918 /nfs/dbraw/zinc/61/89/18/597618918.db2.gz XEMGZXHOQWHBLE-UHFFFAOYSA-N 2 0 335.496 1.368 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc3ccccn3n2)C[C@H]1C[NH+](C)C ZINC000879545498 597627343 /nfs/dbraw/zinc/62/73/43/597627343.db2.gz XLOIVBBDFQPAGG-HUUCEWRRSA-N 2 0 344.463 1.537 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000878544350 597629631 /nfs/dbraw/zinc/62/96/31/597629631.db2.gz ISXQCZHCSWAUDW-INIZCTEOSA-N 2 0 349.475 1.516 20 0 EDADRP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)[N@H+](C)C1CC1 ZINC000883332633 597716595 /nfs/dbraw/zinc/71/65/95/597716595.db2.gz ZPFWGPWMVOWPET-HUUCEWRRSA-N 2 0 331.464 1.784 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1 ZINC000878829332 597726909 /nfs/dbraw/zinc/72/69/09/597726909.db2.gz HSROQEIELBWKNW-ZDUSSCGKSA-N 2 0 344.419 1.234 20 0 EDADRP COc1ncc(C)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000878858961 597736151 /nfs/dbraw/zinc/73/61/51/597736151.db2.gz RUQKSMQOICDVGY-HUUCEWRRSA-N 2 0 349.479 1.602 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866717 597738668 /nfs/dbraw/zinc/73/86/68/597738668.db2.gz VOZDSMABBNHDCU-QAPCUYQASA-N 2 0 341.496 1.632 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C[N@@H+]1C1CC1 ZINC000883503985 597778374 /nfs/dbraw/zinc/77/83/74/597778374.db2.gz VBNQLMSEMFFKAH-ARFHVFGLSA-N 2 0 343.475 1.927 20 0 EDADRP COCC[N@@H+](CC(=O)N(C)Cc1ccco1)CC1CC[NH+](C)CC1 ZINC000879121494 597825608 /nfs/dbraw/zinc/82/56/08/597825608.db2.gz CUDWGUFTBHIOOE-UHFFFAOYSA-N 2 0 337.464 1.528 20 0 EDADRP COCC[N@H+](CCCNC(=O)C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000879126469 597827428 /nfs/dbraw/zinc/82/74/28/597827428.db2.gz YBOKFXGNOVQTHH-UHFFFAOYSA-N 2 0 339.402 1.345 20 0 EDADRP CC(C)(O)[C@H]1CC[NH+](CCOCC[N@H+]2CC[C@H](C(C)(C)O)C2)C1 ZINC000880147600 597856927 /nfs/dbraw/zinc/85/69/27/597856927.db2.gz XWROPRYBMFWPTJ-HOTGVXAUSA-N 2 0 328.497 1.189 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@H](OC)C1 ZINC000883922910 597943385 /nfs/dbraw/zinc/94/33/85/597943385.db2.gz YLCBQJMJWACXSA-BRWVUGGUSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884037654 597974467 /nfs/dbraw/zinc/97/44/67/597974467.db2.gz IZKKAESXYOEXTO-CYBMUJFWSA-N 2 0 325.416 1.763 20 0 EDADRP CN(CCCF)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000884109489 597997535 /nfs/dbraw/zinc/99/75/35/597997535.db2.gz HUSMHSJURNADDC-UHFFFAOYSA-N 2 0 337.443 1.595 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000884213207 598031988 /nfs/dbraw/zinc/03/19/88/598031988.db2.gz VZZONJNGFNTGEJ-QGZVFWFLSA-N 2 0 331.460 1.985 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(F)F)n[nH]2)C[C@H]1C[NH+](C)C ZINC000881019861 598054279 /nfs/dbraw/zinc/05/42/79/598054279.db2.gz GBNAZFCKCFXFLC-GHMZBOCLSA-N 2 0 329.395 1.159 20 0 EDADRP COCC[C@H]([NH3+])C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000884324311 598067273 /nfs/dbraw/zinc/06/72/73/598067273.db2.gz NGBDSFYICTVZOM-HNNXBMFYSA-N 2 0 326.400 1.904 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)[C@H](C[NH3+])OC ZINC000884405271 598095121 /nfs/dbraw/zinc/09/51/21/598095121.db2.gz MBESOAMABHVEGV-INIZCTEOSA-N 2 0 341.883 1.984 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)[NH2+]C1 ZINC000884455933 598110144 /nfs/dbraw/zinc/11/01/44/598110144.db2.gz WYJMKULTUJZYAZ-GOEBONIOSA-N 2 0 328.460 1.932 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1 ZINC000738393454 598713654 /nfs/dbraw/zinc/71/36/54/598713654.db2.gz LXENDZREPNVKNO-MRXNPFEDSA-N 2 0 330.436 1.193 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC000992687295 695206831 /nfs/dbraw/zinc/20/68/31/695206831.db2.gz DDQHXHWRZMCMJJ-HRCADAONSA-N 2 0 333.480 1.295 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]Cc4ccon4)[C@H]3C2)CCC1 ZINC000992724552 695239183 /nfs/dbraw/zinc/23/91/83/695239183.db2.gz WYCVZAZMMODROY-XIRDDKMYSA-N 2 0 346.475 1.876 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]Cc4cnon4)[C@@H]3C2)CC1 ZINC000992796501 695346490 /nfs/dbraw/zinc/34/64/90/695346490.db2.gz BMMABZFFZRRCHH-UAGQMJEPSA-N 2 0 347.463 1.128 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000995017188 699993793 /nfs/dbraw/zinc/99/37/93/699993793.db2.gz VIRSEHVNUFSYJN-GJZGRUSLSA-N 2 0 346.479 1.116 20 0 EDADRP CC1(C)CC(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)C2)C1 ZINC001031856950 700006941 /nfs/dbraw/zinc/00/69/41/700006941.db2.gz MLBJHWYFOPXWKO-RYZJOYRSSA-N 2 0 347.503 1.334 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)CC1 ZINC001031188505 695707187 /nfs/dbraw/zinc/70/71/87/695707187.db2.gz PKYAPUYPXWOCHD-LPHOPBHVSA-N 2 0 335.492 1.334 20 0 EDADRP C[C@@H](NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1)C1(CO)CC1 ZINC000915493091 695933226 /nfs/dbraw/zinc/93/32/26/695933226.db2.gz PACNUEOJUFJEMK-CQSZACIVSA-N 2 0 338.496 1.005 20 0 EDADRP Cc1oncc1CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994247312 696632430 /nfs/dbraw/zinc/63/24/30/696632430.db2.gz CQULAJSMVYIMLI-CJNGLKHVSA-N 2 0 332.448 1.548 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710278 696643998 /nfs/dbraw/zinc/64/39/98/696643998.db2.gz IWVHYNUBQTXPLW-IAGOWNOFSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000940008015 700109520 /nfs/dbraw/zinc/10/95/20/700109520.db2.gz DUZDUSLABUKIDE-CYBMUJFWSA-N 2 0 335.452 1.197 20 0 EDADRP CCN1CCO[C@H](CNC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919128359 697247110 /nfs/dbraw/zinc/24/71/10/697247110.db2.gz XQCFWWQHLJGMIB-UPTPFMHGSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031666388 697444020 /nfs/dbraw/zinc/44/40/20/697444020.db2.gz OLWSAIRMHCONPI-IBGZPJMESA-N 2 0 345.487 1.986 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@@H]2CCOC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675143 697484660 /nfs/dbraw/zinc/48/46/60/697484660.db2.gz WYEXNLQGPSUVHA-CRAIPNDOSA-N 2 0 335.492 1.193 20 0 EDADRP CC1CC(C[NH+]2CC(CNC(=O)c3cc([C@H]4CCCN4C)n[nH]3)C2)C1 ZINC001031686719 697517405 /nfs/dbraw/zinc/51/74/05/697517405.db2.gz SKTXFWZIAHFAMS-WTNGLUPJSA-N 2 0 345.491 1.884 20 0 EDADRP C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388949 697588049 /nfs/dbraw/zinc/58/80/49/697588049.db2.gz WVMQPIMGANLBMK-ZBFHGGJFSA-N 2 0 340.512 1.515 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cnn(C)c3)C[C@@H]2C)CC1 ZINC000943756756 698833339 /nfs/dbraw/zinc/83/33/39/698833339.db2.gz VROKXWZFLRFHBT-WMZOPIPTSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054365 699114924 /nfs/dbraw/zinc/11/49/24/699114924.db2.gz IJWRELVSDAMONB-SUMWQHHRSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055186 699116081 /nfs/dbraw/zinc/11/60/81/699116081.db2.gz VOVWFEVFTLUKQG-CRAIPNDOSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)ncn1 ZINC000939064254 699131455 /nfs/dbraw/zinc/13/14/55/699131455.db2.gz SYNANORFGLTUQF-DYVFJYSZSA-N 2 0 331.464 1.063 20 0 EDADRP CCc1nnc(CN[C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137617 699225036 /nfs/dbraw/zinc/22/50/36/699225036.db2.gz LEFBREBEMWJPTH-ZIAGYGMSSA-N 2 0 349.479 1.300 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)c1ccn2c[nH+]cc2c1 ZINC001031816829 699517856 /nfs/dbraw/zinc/51/78/56/699517856.db2.gz JJFVTASYNHQBOM-AWEZNQCLSA-N 2 0 328.416 1.423 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939394371 699544416 /nfs/dbraw/zinc/54/44/16/699544416.db2.gz BMYMTTNQCUKQEB-WMZOPIPTSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)o1 ZINC000939396559 699546458 /nfs/dbraw/zinc/54/64/58/699546458.db2.gz KHSRJILLOZSRJB-YOEHRIQHSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939398789 699547969 /nfs/dbraw/zinc/54/79/69/699547969.db2.gz RCMQWLTXKHEHDA-WMLDXEAASA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939543394 699684506 /nfs/dbraw/zinc/68/45/06/699684506.db2.gz CKCICVMNRPOGOZ-XJKSGUPXSA-N 2 0 332.423 1.253 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544031 699685210 /nfs/dbraw/zinc/68/52/10/699685210.db2.gz HDPZOIFKTPLXTJ-WBVHZDCISA-N 2 0 328.460 1.422 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CCn1cccn1 ZINC000939550580 699699602 /nfs/dbraw/zinc/69/96/02/699699602.db2.gz MISVGZNSPMBHNN-GOEBONIOSA-N 2 0 342.447 1.094 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cnon2)C1)C12CCC[NH+](CCC1)C2 ZINC000994985595 699803301 /nfs/dbraw/zinc/80/33/01/699803301.db2.gz CYBIURSHUALYIA-CABCVRRESA-N 2 0 347.463 1.320 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ccon2)C1)C12CCC[NH+](CCC1)C2 ZINC000994990927 699826840 /nfs/dbraw/zinc/82/68/40/699826840.db2.gz RDRDYYIUTFIPDH-HZPDHXFCSA-N 2 0 346.475 1.925 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cn1 ZINC000939755933 699922298 /nfs/dbraw/zinc/92/22/98/699922298.db2.gz SEILKGNWGMPAGJ-GDBMZVCRSA-N 2 0 332.448 1.123 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2)C1)C1CCC1 ZINC001031849987 699934804 /nfs/dbraw/zinc/93/48/04/699934804.db2.gz KNAXBWTUVUAAHA-SFHVURJKSA-N 2 0 342.443 1.811 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)on1 ZINC000939808583 699957458 /nfs/dbraw/zinc/95/74/58/699957458.db2.gz FNHGSNFTPXGGMH-RHSMWYFYSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cncs1 ZINC000939808954 699957616 /nfs/dbraw/zinc/95/76/16/699957616.db2.gz HFTMPRZSQICEJR-GDBMZVCRSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nccs1 ZINC000939810769 699959036 /nfs/dbraw/zinc/95/90/36/699959036.db2.gz OYZLVQWUHZLWIS-HUUCEWRRSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)o1 ZINC000939813271 699960610 /nfs/dbraw/zinc/96/06/10/699960610.db2.gz YPVDSTVNXQCUQT-YOEHRIQHSA-N 2 0 334.464 1.796 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nonc2C)CC1 ZINC000940141923 700269924 /nfs/dbraw/zinc/26/99/24/700269924.db2.gz LFHSTMLVRVFDAV-INIZCTEOSA-N 2 0 349.479 1.723 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1)[NH+](C)C ZINC000940164691 700299591 /nfs/dbraw/zinc/29/95/91/700299591.db2.gz UWSRYEOIGWQENN-INIZCTEOSA-N 2 0 335.496 1.477 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCc3ncnn32)CC1)[NH+](C)C ZINC000940176767 700309239 /nfs/dbraw/zinc/30/92/39/700309239.db2.gz OKMSNNVSIYJXKK-HUUCEWRRSA-N 2 0 348.495 1.076 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)[nH]1 ZINC000995055469 700422063 /nfs/dbraw/zinc/42/20/63/700422063.db2.gz PBVJCKZFTXNLIA-GJZGRUSLSA-N 2 0 348.495 1.362 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@H]3CCCCO3)CC2)CC1 ZINC000940296707 700469244 /nfs/dbraw/zinc/46/92/44/700469244.db2.gz UMUUJROMDUPAJV-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940327712 700504722 /nfs/dbraw/zinc/50/47/22/700504722.db2.gz OZTAFBSMVGRVBT-RDJZCZTQSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000940328360 700506491 /nfs/dbraw/zinc/50/64/91/700506491.db2.gz HPEZQEIZFDDRLS-XJKSGUPXSA-N 2 0 348.491 1.960 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940329169 700508660 /nfs/dbraw/zinc/50/86/60/700508660.db2.gz QTVZXYZFZHMDEZ-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)nc2)CC1)[NH+](C)C ZINC000940334817 700514879 /nfs/dbraw/zinc/51/48/79/700514879.db2.gz PNZVZPUXCHRARI-INIZCTEOSA-N 2 0 348.491 1.901 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940426480 700620073 /nfs/dbraw/zinc/62/00/73/700620073.db2.gz SFDITAKQXSJNOM-MRXNPFEDSA-N 2 0 345.491 1.598 20 0 EDADRP CC1([NH2+]Cc2ncccn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427177 700621225 /nfs/dbraw/zinc/62/12/25/700621225.db2.gz BGPJLEQLEGHVFE-UHFFFAOYSA-N 2 0 329.448 1.043 20 0 EDADRP CC1([NH2+]C[C@H]2CCCCO2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428181 700622517 /nfs/dbraw/zinc/62/25/17/700622517.db2.gz WYMUWXNKVWPZEQ-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940472489 700657772 /nfs/dbraw/zinc/65/77/72/700657772.db2.gz YVNCCSBGKRIJCT-OKILXGFUSA-N 2 0 335.452 1.413 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cncs3)C2)CC1 ZINC000995079553 700688514 /nfs/dbraw/zinc/68/85/14/700688514.db2.gz NWUZJKXDCKWRLZ-HIFRSBDPSA-N 2 0 336.505 1.859 20 0 EDADRP CCn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082814 700726993 /nfs/dbraw/zinc/72/69/93/700726993.db2.gz ZTRAPSQKFRWGRA-WBVHZDCISA-N 2 0 347.507 1.619 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748274 700873936 /nfs/dbraw/zinc/87/39/36/700873936.db2.gz WXWYODKRERPATK-CVEARBPZSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901850 700976810 /nfs/dbraw/zinc/97/68/10/700976810.db2.gz RFLNYDQTBLILJE-MUZJZNNISA-N 2 0 349.519 1.722 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)C1 ZINC000995110452 700998617 /nfs/dbraw/zinc/99/86/17/700998617.db2.gz YSXBLZRZOZUZAG-JKSUJKDBSA-N 2 0 345.491 1.583 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCCO3)C2)C1 ZINC001031919053 701041039 /nfs/dbraw/zinc/04/10/39/701041039.db2.gz LTJOQKSGBLDKRN-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP CCC(CC)C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)C1 ZINC001031923288 701096346 /nfs/dbraw/zinc/09/63/46/701096346.db2.gz YHCDEVHNGVBPCK-KRWDZBQOSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000941076287 701103977 /nfs/dbraw/zinc/10/39/77/701103977.db2.gz VPUZEMVBQWVZCU-IAGOWNOFSA-N 2 0 339.524 1.848 20 0 EDADRP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214846 701401299 /nfs/dbraw/zinc/40/12/99/701401299.db2.gz FABYYIJDWFLPDZ-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(CN2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)no1 ZINC000941216031 701402216 /nfs/dbraw/zinc/40/22/16/701402216.db2.gz BZWXUNMZJWJPSZ-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP CC1(C)C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221630 701412606 /nfs/dbraw/zinc/41/26/06/701412606.db2.gz ZEQJMWBMPYMPBX-KRWDZBQOSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CN(Cc3cccc(Cl)n3)C2)CC1 ZINC001031947814 701503916 /nfs/dbraw/zinc/50/39/16/701503916.db2.gz LDSJNEQIRFDXIB-UHFFFAOYSA-N 2 0 336.867 1.625 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001031948466 701516643 /nfs/dbraw/zinc/51/66/43/701516643.db2.gz BWGNHZIRSLYZJR-GOSISDBHSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000999173655 706605285 /nfs/dbraw/zinc/60/52/85/706605285.db2.gz LIPVYFNFWLXJDC-WMZOPIPTSA-N 2 0 343.475 1.207 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](Cc3cc4ccccc4o3)C2)C1 ZINC001032181211 702095925 /nfs/dbraw/zinc/09/59/25/702095925.db2.gz CGTWMABHOXGECO-MRXNPFEDSA-N 2 0 327.428 1.933 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032181207 702096431 /nfs/dbraw/zinc/09/64/31/702096431.db2.gz CGSPOHSAUXWPFI-GOSISDBHSA-N 2 0 331.460 1.333 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001032206024 702122137 /nfs/dbraw/zinc/12/21/37/702122137.db2.gz PRHPEWUJXXBWGX-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995892210 702191818 /nfs/dbraw/zinc/19/18/18/702191818.db2.gz FFOOBGNOXIEYJG-HZPDHXFCSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)CCC1 ZINC000995886202 702222544 /nfs/dbraw/zinc/22/25/44/702222544.db2.gz KHJAJRVRWPUAIB-OAHLLOKOSA-N 2 0 333.480 1.194 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccnc(OC)c2)C(C)(C)C1)[NH+](C)C ZINC000995945177 702290818 /nfs/dbraw/zinc/29/08/18/702290818.db2.gz DNCUKIDWSJTOBS-CVEARBPZSA-N 2 0 348.491 1.757 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2c(C)noc2C)C(C)(C)C1)[NH+](C)C ZINC000995953498 702317592 /nfs/dbraw/zinc/31/75/92/702317592.db2.gz VOTWOTUPALGWKD-CVEARBPZSA-N 2 0 336.480 1.958 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)sn1 ZINC000944168255 702407708 /nfs/dbraw/zinc/40/77/08/702407708.db2.gz IGLVXTSHFQNWJO-BBRMVZONSA-N 2 0 348.516 1.874 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC000996139404 702568192 /nfs/dbraw/zinc/56/81/92/702568192.db2.gz YNDZPEZYTUHLLY-INIZCTEOSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)nn1C ZINC000996300960 702692673 /nfs/dbraw/zinc/69/26/73/702692673.db2.gz PQORZXRAWPRMNX-RHSMWYFYSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)o1 ZINC000996301488 702693392 /nfs/dbraw/zinc/69/33/92/702693392.db2.gz UFPLUXLZBICNST-JSGCOSHPSA-N 2 0 335.452 1.189 20 0 EDADRP Cc1cc(CN[C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)no1 ZINC000996301465 702693408 /nfs/dbraw/zinc/69/34/08/702693408.db2.gz TXVHOLXWYHACKM-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC000996477781 702809578 /nfs/dbraw/zinc/80/95/78/702809578.db2.gz OSKVNNLTAZNAGK-CRAIPNDOSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996515270 702851162 /nfs/dbraw/zinc/85/11/62/702851162.db2.gz PRGWBCDMZMAACH-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996520574 702856477 /nfs/dbraw/zinc/85/64/77/702856477.db2.gz SQXFQWVTWXHKIT-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)s1 ZINC000996522120 702857867 /nfs/dbraw/zinc/85/78/67/702857867.db2.gz VZUKWEZGDLYILT-HNNXBMFYSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996561560 702875406 /nfs/dbraw/zinc/87/54/06/702875406.db2.gz QMQBLWQVEHJZJZ-QGZVFWFLSA-N 2 0 332.448 1.405 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC[C@H]2CCCO2)CC1 ZINC000996561577 702875561 /nfs/dbraw/zinc/87/55/61/702875561.db2.gz QYXYMLHFKIFYTP-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1cnccn1 ZINC000996560521 702879177 /nfs/dbraw/zinc/87/91/77/702879177.db2.gz IYZRGPVVXSYJIY-YOEHRIQHSA-N 2 0 343.475 1.460 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC[N@@H+]1C ZINC000996601970 702908864 /nfs/dbraw/zinc/90/88/64/702908864.db2.gz CSDDHQMOOXFPKN-JKSUJKDBSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996607425 702910635 /nfs/dbraw/zinc/91/06/35/702910635.db2.gz OHWXYGWCOCMFHI-CXAGYDPISA-N 2 0 331.464 1.206 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607533 702910800 /nfs/dbraw/zinc/91/08/00/702910800.db2.gz CJEGAWRGSOQJKL-GOEBONIOSA-N 2 0 346.475 1.369 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)CC[N@@H+]1C ZINC000996610140 702921088 /nfs/dbraw/zinc/92/10/88/702921088.db2.gz YUGDWLCRRIDPAX-RDTXWAMCSA-N 2 0 345.491 1.250 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610031 702921200 /nfs/dbraw/zinc/92/12/00/702921200.db2.gz JAYTUSUSSIRFPK-JSGCOSHPSA-N 2 0 337.493 1.125 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996619051 702925528 /nfs/dbraw/zinc/92/55/28/702925528.db2.gz YIHCUHWVZBCKAJ-IRXDYDNUSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000996653160 702942488 /nfs/dbraw/zinc/94/24/88/702942488.db2.gz ZCFCMMWXYFEVLZ-UHFFFAOYSA-N 2 0 334.449 1.283 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)C1 ZINC000996666455 702963239 /nfs/dbraw/zinc/96/32/39/702963239.db2.gz QODBDGWAFQZQHA-MRXNPFEDSA-N 2 0 347.507 1.479 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)on2)CC1 ZINC000996664404 702966865 /nfs/dbraw/zinc/96/68/65/702966865.db2.gz WDHFBHRECFIERT-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000996666285 702968500 /nfs/dbraw/zinc/96/85/00/702968500.db2.gz QCXVDOSOQZXKEI-ZDUSSCGKSA-N 2 0 349.479 1.758 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000996678458 702977125 /nfs/dbraw/zinc/97/71/25/702977125.db2.gz NTWZSKKSDKUVQU-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996685822 702983602 /nfs/dbraw/zinc/98/36/02/702983602.db2.gz AYMNQCFAKAIGLI-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC000996723310 703018348 /nfs/dbraw/zinc/01/83/48/703018348.db2.gz LGOSTGVDXYAMNY-QGZVFWFLSA-N 2 0 333.480 1.293 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001032026906 703046503 /nfs/dbraw/zinc/04/65/03/703046503.db2.gz KNRYVTKUBWOVJJ-GOSISDBHSA-N 2 0 347.507 1.274 20 0 EDADRP O=C(N1CCC([NH2+]CC[C@@H]2CCOC2)CC1)C12CCC[NH+]1CCC2 ZINC000996768435 703055668 /nfs/dbraw/zinc/05/56/68/703055668.db2.gz BIFGZPURXFJOQF-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996766218 703057691 /nfs/dbraw/zinc/05/76/91/703057691.db2.gz ZIZMUKMDZZKEQN-QGZVFWFLSA-N 2 0 345.491 1.678 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000996766538 703058042 /nfs/dbraw/zinc/05/80/42/703058042.db2.gz GOYFFMBIJOCHNE-UHFFFAOYSA-N 2 0 340.387 1.420 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596770 703111201 /nfs/dbraw/zinc/11/12/01/703111201.db2.gz GDKOQWDNOZSNII-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996854449 703132903 /nfs/dbraw/zinc/13/29/03/703132903.db2.gz CQQBDQVPKSBAAP-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996860540 703143864 /nfs/dbraw/zinc/14/38/64/703143864.db2.gz SMPJKBMSQLBYGN-CHWSQXEVSA-N 2 0 344.381 1.897 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000996903019 703177647 /nfs/dbraw/zinc/17/76/47/703177647.db2.gz GKHCZYAMLFNUPK-INIZCTEOSA-N 2 0 347.507 1.623 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042623 703204115 /nfs/dbraw/zinc/20/41/15/703204115.db2.gz GWWRNYVKXDVWPD-MSOLQXFVSA-N 2 0 345.491 1.028 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996951124 703216845 /nfs/dbraw/zinc/21/68/45/703216845.db2.gz BYMJIMRLRJHCQA-UHFFFAOYSA-N 2 0 333.480 1.325 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC000997059314 703304866 /nfs/dbraw/zinc/30/48/66/703304866.db2.gz ZGBCFPPXOGVRKN-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997064169 703308839 /nfs/dbraw/zinc/30/88/39/703308839.db2.gz VPNFRDRZZUWMGU-GOSISDBHSA-N 2 0 347.507 1.764 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1 ZINC001032407392 703432896 /nfs/dbraw/zinc/43/28/96/703432896.db2.gz CJKAKRHTJKPDEY-GBESFXJTSA-N 2 0 347.503 1.430 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3ccon3)CC2)C1 ZINC000997178749 703462935 /nfs/dbraw/zinc/46/29/35/703462935.db2.gz GMRQPBYNYCCGRR-RHSMWYFYSA-N 2 0 334.464 1.876 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997185007 703473917 /nfs/dbraw/zinc/47/39/17/703473917.db2.gz OKMJPDRDDHECGS-OAHLLOKOSA-N 2 0 348.491 1.968 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185831 703474806 /nfs/dbraw/zinc/47/48/06/703474806.db2.gz SKQJNLZEBOKDIW-AWEZNQCLSA-N 2 0 348.495 1.351 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000997195556 703493075 /nfs/dbraw/zinc/49/30/75/703493075.db2.gz XRRBVRYBHRRZLY-UHFFFAOYSA-N 2 0 344.459 1.267 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997275574 703535452 /nfs/dbraw/zinc/53/54/52/703535452.db2.gz WTKVZFXTNXOJBR-RYRKJORJSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997300839 703544307 /nfs/dbraw/zinc/54/43/07/703544307.db2.gz YHARSJAFPGSLMM-CQSZACIVSA-N 2 0 336.505 1.792 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997290815 703551782 /nfs/dbraw/zinc/55/17/82/703551782.db2.gz ZCWYWGPVHGYPBI-CVEARBPZSA-N 2 0 337.508 1.581 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997297202 703555783 /nfs/dbraw/zinc/55/57/83/703555783.db2.gz CUGLYQFJXQLNMT-HNNXBMFYSA-N 2 0 332.448 1.123 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997367151 703601374 /nfs/dbraw/zinc/60/13/74/703601374.db2.gz WAQUWAMOSQCTEN-OAHLLOKOSA-N 2 0 337.493 1.493 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC[C@@H]2CCOC2)CCC1 ZINC001032444455 703621658 /nfs/dbraw/zinc/62/16/58/703621658.db2.gz ZLDRTPIVWTWUQG-IKGGRYGDSA-N 2 0 335.492 1.573 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CC1 ZINC001032444438 703621688 /nfs/dbraw/zinc/62/16/88/703621688.db2.gz YQOWJQPCRGDKJY-GBESFXJTSA-N 2 0 347.503 1.715 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032479621 703713865 /nfs/dbraw/zinc/71/38/65/703713865.db2.gz PRGJXPZPPBUSEJ-OKZBNKHCSA-N 2 0 335.492 1.573 20 0 EDADRP COc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC000997611935 703909161 /nfs/dbraw/zinc/90/91/61/703909161.db2.gz IFGBLOPXBJJKPY-HNNXBMFYSA-N 2 0 336.436 1.106 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922547140 703953335 /nfs/dbraw/zinc/95/33/35/703953335.db2.gz OVLXGSJBROVWMB-ARFHVFGLSA-N 2 0 342.553 1.986 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995550977 703955236 /nfs/dbraw/zinc/95/52/36/703955236.db2.gz LAFRAFFUSGFIOG-CVEARBPZSA-N 2 0 334.464 1.712 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995551959 703958762 /nfs/dbraw/zinc/95/87/62/703958762.db2.gz PBOHZLFEUFCFQF-GDBMZVCRSA-N 2 0 348.491 1.966 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001004208426 703969065 /nfs/dbraw/zinc/96/90/65/703969065.db2.gz PBZBMUKNTXMDJX-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1cccnc1 ZINC000922607424 704126228 /nfs/dbraw/zinc/12/62/28/704126228.db2.gz HNPWJDPTWNTXHP-KRWDZBQOSA-N 2 0 349.479 1.096 20 0 EDADRP C[C@H](F)CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084051 704153164 /nfs/dbraw/zinc/15/31/64/704153164.db2.gz DTZRZDKNCJNXLC-GJZGRUSLSA-N 2 0 339.459 1.339 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCOc3ccccc3)C2)CC[N@@H+]1C ZINC001033093181 704170027 /nfs/dbraw/zinc/17/00/27/704170027.db2.gz XRKCMQKBSSMUAH-ZHALLVOQSA-N 2 0 345.487 1.938 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095143 704180904 /nfs/dbraw/zinc/18/09/04/704180904.db2.gz RKEFTWPKESMCQN-IXDOHACOSA-N 2 0 330.476 1.763 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946592501 704230671 /nfs/dbraw/zinc/23/06/71/704230671.db2.gz QPXOVYYJEXFCCK-XDNAFOTISA-N 2 0 335.492 1.024 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999308217 706809254 /nfs/dbraw/zinc/80/92/54/706809254.db2.gz RBBRIILSLSNESO-QZTJIDSGSA-N 2 0 347.507 1.858 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCc2ccnn2C)C1 ZINC000999309642 706812350 /nfs/dbraw/zinc/81/23/50/706812350.db2.gz VJMCYFRDJBQABV-AEFFLSMTSA-N 2 0 347.507 1.418 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000997787405 704696668 /nfs/dbraw/zinc/69/66/68/704696668.db2.gz ZTNGBHCEJPLATF-WOSRLPQWSA-N 2 0 349.479 1.607 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)no1 ZINC000997825060 704744892 /nfs/dbraw/zinc/74/48/92/704744892.db2.gz YWTDWDNTBFIXJU-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997840548 704757144 /nfs/dbraw/zinc/75/71/44/704757144.db2.gz ONJVMFBXXBXCBO-KRWDZBQOSA-N 2 0 347.507 1.623 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nc(C)no2)CC1)[NH+](C)C ZINC000997855572 704764228 /nfs/dbraw/zinc/76/42/28/704764228.db2.gz NKDMKCRDOPUFJA-SWLSCSKDSA-N 2 0 337.468 1.607 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncs2)CC1 ZINC000997864812 704770231 /nfs/dbraw/zinc/77/02/31/704770231.db2.gz AKNFNRAKBWXOSK-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP CCc1nocc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997865825 704772788 /nfs/dbraw/zinc/77/27/88/704772788.db2.gz INLLGOVQYOFVMX-GOEBONIOSA-N 2 0 348.491 1.905 20 0 EDADRP CCn1nncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997866384 704772946 /nfs/dbraw/zinc/77/29/46/704772946.db2.gz SJOBQWZCNWQLFV-QGZVFWFLSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](CC(N)=O)CC1 ZINC000997874994 704779360 /nfs/dbraw/zinc/77/93/60/704779360.db2.gz VHAJIIUECNXJLD-AWEZNQCLSA-N 2 0 346.475 1.064 20 0 EDADRP CCn1ccnc1CN1CC[C@H](NC(=O)Cn2ccnc2C)[C@H](C)C1 ZINC000944965363 704835521 /nfs/dbraw/zinc/83/55/21/704835521.db2.gz RIFDGOZVUGBLST-ZBFHGGJFSA-N 2 0 344.463 1.435 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1C[NH+](C)C ZINC000945094953 705066576 /nfs/dbraw/zinc/06/65/76/705066576.db2.gz ZCHRSONJCMBIJX-CRAIPNDOSA-N 2 0 333.476 1.571 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1)[NH+](C)C ZINC000998040203 705229132 /nfs/dbraw/zinc/22/91/32/705229132.db2.gz LVJSQNSYTVBZIF-QGZVFWFLSA-N 2 0 335.496 1.335 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(CNCc2cnsn2)CC1)[NH+](C)C ZINC000998040384 705229632 /nfs/dbraw/zinc/22/96/32/705229632.db2.gz RTKCTOCOASBOSR-OAHLLOKOSA-N 2 0 339.509 1.453 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998078992 705292009 /nfs/dbraw/zinc/29/20/09/705292009.db2.gz NUMIRNQFXVYTGB-BBRMVZONSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998078317 705299105 /nfs/dbraw/zinc/29/91/05/705299105.db2.gz LGUANWRWOHLLBM-DYVFJYSZSA-N 2 0 348.491 1.817 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)oc1C ZINC000998080503 705305870 /nfs/dbraw/zinc/30/58/70/705305870.db2.gz BRTYVRPEBUOLMP-DYVFJYSZSA-N 2 0 348.491 1.817 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000998082625 705309961 /nfs/dbraw/zinc/30/99/61/705309961.db2.gz RPVZQQUDMHRTCN-OAHLLOKOSA-N 2 0 345.491 1.455 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000998136048 705400891 /nfs/dbraw/zinc/40/08/91/705400891.db2.gz MENCENKLKMEULC-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998215491 705536420 /nfs/dbraw/zinc/53/64/20/705536420.db2.gz AFRXEVFWKHFRSK-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998215621 705536892 /nfs/dbraw/zinc/53/68/92/705536892.db2.gz COWCQHSFFWRDNF-INIZCTEOSA-N 2 0 334.464 1.653 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000998216769 705539676 /nfs/dbraw/zinc/53/96/76/705539676.db2.gz KPSKZGQBZUPUPL-NVXWUHKLSA-N 2 0 345.491 1.708 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998217680 705540434 /nfs/dbraw/zinc/54/04/34/705540434.db2.gz QSOZQZAZXBPWPX-INIZCTEOSA-N 2 0 348.491 1.907 20 0 EDADRP Cn1cncc1CCC(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998254424 705610794 /nfs/dbraw/zinc/61/07/94/705610794.db2.gz NHGYBYHSJZYRGB-UHFFFAOYSA-N 2 0 347.488 1.838 20 0 EDADRP CC(C)n1cc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000998268667 705645020 /nfs/dbraw/zinc/64/50/20/705645020.db2.gz HYHIWNMUCRTHRP-UHFFFAOYSA-N 2 0 348.495 1.283 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998269319 705651975 /nfs/dbraw/zinc/65/19/75/705651975.db2.gz MHQPLTZANUOHPL-ZDUSSCGKSA-N 2 0 335.452 1.363 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998274181 705655151 /nfs/dbraw/zinc/65/51/51/705655151.db2.gz RJPSOTOELCWSRL-HNNXBMFYSA-N 2 0 334.464 1.517 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998284592 705679501 /nfs/dbraw/zinc/67/95/01/705679501.db2.gz FSSJTRYXXHLGIQ-HOTGVXAUSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cc[nH]c(=O)c2)c1 ZINC000921669650 705982723 /nfs/dbraw/zinc/98/27/23/705982723.db2.gz DIUVGGRHMOLWKM-UHFFFAOYSA-N 2 0 328.416 1.368 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998547962 705982778 /nfs/dbraw/zinc/98/27/78/705982778.db2.gz CZIQFOHJAKALSY-UYSNPLJNSA-N 2 0 332.448 1.263 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000998718537 706150310 /nfs/dbraw/zinc/15/03/10/706150310.db2.gz CHOHFNULHJYILF-CABCVRRESA-N 2 0 336.505 1.935 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)sc1C ZINC000998724448 706156490 /nfs/dbraw/zinc/15/64/90/706156490.db2.gz UEHPVZQFKRWMPC-HUUCEWRRSA-N 2 0 336.505 1.935 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000998780311 706221641 /nfs/dbraw/zinc/22/16/41/706221641.db2.gz NIYJHUMIRFGKKQ-DAWZGUTISA-N 2 0 346.450 1.642 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C)n(C)n3)C2)CC[N@@H+]1C ZINC000998792185 706239155 /nfs/dbraw/zinc/23/91/55/706239155.db2.gz VJISVMTVLBXDEA-DQVOVIAYSA-N 2 0 347.507 1.538 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC000998865014 706294852 /nfs/dbraw/zinc/29/48/52/706294852.db2.gz DSEULTUZUVDPFK-VMBOVVBDSA-N 2 0 348.495 1.251 20 0 EDADRP CN(C(=O)[C@H]1CCCc2nccn21)C1CC(NCc2csnn2)C1 ZINC000998902664 706339477 /nfs/dbraw/zinc/33/94/77/706339477.db2.gz WUGCDUAEFBPLMP-UXUKBGGZSA-N 2 0 346.460 1.391 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000998995428 706412782 /nfs/dbraw/zinc/41/27/82/706412782.db2.gz SDFHBITXCITNCY-YMAMQOFZSA-N 2 0 347.463 1.510 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c(C)o1 ZINC000998995953 706413301 /nfs/dbraw/zinc/41/33/01/706413301.db2.gz WPDLSVMUHUCQJS-DQPZFDDXSA-N 2 0 334.464 1.855 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000998988612 706420661 /nfs/dbraw/zinc/42/06/61/706420661.db2.gz WKMYWIKEAYDVJD-AOCRQIFASA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1 ZINC000999142922 706556054 /nfs/dbraw/zinc/55/60/54/706556054.db2.gz DIGAKHJWXVCPJU-ZFWWWQNUSA-N 2 0 337.493 1.492 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999341970 706853645 /nfs/dbraw/zinc/85/36/45/706853645.db2.gz JELXLKFRUAKERR-UHFFFAOYSA-N 2 0 348.495 1.027 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999344862 706856435 /nfs/dbraw/zinc/85/64/35/706856435.db2.gz UOPQXXTVHMGIOM-UHFFFAOYSA-N 2 0 346.475 1.511 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999346839 706858625 /nfs/dbraw/zinc/85/86/25/706858625.db2.gz GMCQSELRVZMKEI-DLBZAZTESA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999379554 706873388 /nfs/dbraw/zinc/87/33/88/706873388.db2.gz ZHYRUZIWWQKKPJ-ZWKOTPCHSA-N 2 0 347.507 1.421 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC(NCc2csnn2)C1 ZINC000999404649 706913541 /nfs/dbraw/zinc/91/35/41/706913541.db2.gz XAQMDWZOWMFZKO-UHFFFAOYSA-N 2 0 337.493 1.349 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)c1 ZINC000999405732 706914824 /nfs/dbraw/zinc/91/48/24/706914824.db2.gz GXJRJDOMDZJMQL-FAEJEUNOSA-N 2 0 330.476 1.953 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)c(C)o1 ZINC000999407363 706917167 /nfs/dbraw/zinc/91/71/67/706917167.db2.gz UNKCFLZIHUCRGW-JQRITLKVSA-N 2 0 334.464 1.855 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3ccc(CO)cc3)C2)C1 ZINC000999409754 706919634 /nfs/dbraw/zinc/91/96/34/706919634.db2.gz SJPHYCOLEAKFEH-MNNVXMFVSA-N 2 0 345.487 1.600 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)C1 ZINC000999409842 706919777 /nfs/dbraw/zinc/91/97/77/706919777.db2.gz TZZXMJZXCNYFMP-ZLPCBKJTSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC000999435673 706942904 /nfs/dbraw/zinc/94/29/04/706942904.db2.gz RZKXASQEDROPEQ-AEFFLSMTSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1C ZINC000999515130 707014178 /nfs/dbraw/zinc/01/41/78/707014178.db2.gz XJRLFFDCDQAKIP-RDJZCZTQSA-N 2 0 333.480 1.293 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]CCc2scnc2C)C1)[NH+](C)C ZINC000999488608 707024537 /nfs/dbraw/zinc/02/45/37/707024537.db2.gz GQVJTGUGFDCWMN-HUUCEWRRSA-N 2 0 338.521 1.915 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594473 707097649 /nfs/dbraw/zinc/09/76/49/707097649.db2.gz AQLKVVWPCYCSFR-INIZCTEOSA-N 2 0 332.448 1.692 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000999597742 707100584 /nfs/dbraw/zinc/10/05/84/707100584.db2.gz HPKPLWKYNVWFIU-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921685833 707111044 /nfs/dbraw/zinc/11/10/44/707111044.db2.gz AESRZDSFNAKDKR-UHFFFAOYSA-N 2 0 344.301 1.535 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999681930 707167318 /nfs/dbraw/zinc/16/73/18/707167318.db2.gz LCJOAZUZIWPAIP-FHERZECASA-N 2 0 348.495 1.027 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000999682628 707168341 /nfs/dbraw/zinc/16/83/41/707168341.db2.gz QVPVZTPSDRQCDY-UQPPLGOBSA-N 2 0 346.475 1.511 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999703840 707292520 /nfs/dbraw/zinc/29/25/20/707292520.db2.gz HACFJYHFCIMPQE-KRWDZBQOSA-N 2 0 342.443 1.955 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999875992 707523041 /nfs/dbraw/zinc/52/30/41/707523041.db2.gz KAHCUXJOVKXQMP-INIZCTEOSA-N 2 0 347.507 1.418 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213537 707708959 /nfs/dbraw/zinc/70/89/59/707708959.db2.gz KVUREZIUKASZHF-BBRMVZONSA-N 2 0 330.432 1.824 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2(C3CC[NH+](C[C@@H](C)O)CC3)CC2)CC[N@@H+]1C ZINC001000156529 707771541 /nfs/dbraw/zinc/77/15/41/707771541.db2.gz FQVUTMSZXLZUQF-HYVNUMGLSA-N 2 0 337.508 1.458 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033420352 707831143 /nfs/dbraw/zinc/83/11/43/707831143.db2.gz OFSNXSXSJRYXKT-GDBMZVCRSA-N 2 0 349.479 1.185 20 0 EDADRP O=C(NC1(C2CC[NH+](CCCO)CC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001000201983 707847843 /nfs/dbraw/zinc/84/78/43/707847843.db2.gz ITDZWOOGMDSWRU-UHFFFAOYSA-N 2 0 342.443 1.691 20 0 EDADRP Cc1nocc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990655 707852722 /nfs/dbraw/zinc/85/27/22/707852722.db2.gz JENBRJWJLSMOIN-DOTOQJQBSA-N 2 0 334.464 1.938 20 0 EDADRP CCc1ccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001032780972 707966218 /nfs/dbraw/zinc/96/62/18/707966218.db2.gz FQHFRNAVAHDUHH-FHWLQOOXSA-N 2 0 327.472 1.986 20 0 EDADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033505310 707973666 /nfs/dbraw/zinc/97/36/66/707973666.db2.gz QFAKHGDNPPYXKR-MJGOQNOKSA-N 2 0 345.487 1.931 20 0 EDADRP COCc1ccc(C[NH2+][C@H]2CCCN(C(=O)Cc3cnc[nH]3)C2)cc1 ZINC001000325092 707982850 /nfs/dbraw/zinc/98/28/50/707982850.db2.gz QURDZLKSOIUYFT-KRWDZBQOSA-N 2 0 342.443 1.879 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](NCc2ncc(C)cn2)C1 ZINC001001007320 708081856 /nfs/dbraw/zinc/08/18/56/708081856.db2.gz ILFHVVKPBVONCB-IAGOWNOFSA-N 2 0 345.491 1.740 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001401198 708137921 /nfs/dbraw/zinc/13/79/21/708137921.db2.gz CKIRXUHFUZEJMH-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCO)C1 ZINC001033576109 708251030 /nfs/dbraw/zinc/25/10/30/708251030.db2.gz TZBLKILFUPZBFM-SJORKVTESA-N 2 0 325.497 1.556 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](CCCO)CC2)C1 ZINC001001739001 708254025 /nfs/dbraw/zinc/25/40/25/708254025.db2.gz PTNRJPXYPYIFQT-QGZVFWFLSA-N 2 0 325.497 1.319 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033592368 708290710 /nfs/dbraw/zinc/29/07/10/708290710.db2.gz GBBBRJPONNZYDO-HZPDHXFCSA-N 2 0 335.492 1.430 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687214 708502770 /nfs/dbraw/zinc/50/27/70/708502770.db2.gz ZSAYHGYWNKOSFD-DOTOQJQBSA-N 2 0 333.476 1.929 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001002120162 708633538 /nfs/dbraw/zinc/63/35/38/708633538.db2.gz HEQMUJQCKPMRPE-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033777394 708704927 /nfs/dbraw/zinc/70/49/27/708704927.db2.gz VIUKANMIXMTHLG-RBUKOAKNSA-N 2 0 345.487 1.696 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2ccccn2)CC1 ZINC001005398514 708882131 /nfs/dbraw/zinc/88/21/31/708882131.db2.gz OQJMHDRQERYAKH-LJQANCHMSA-N 2 0 342.487 1.846 20 0 EDADRP Cc1oncc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005399905 708886452 /nfs/dbraw/zinc/88/64/52/708886452.db2.gz VHCKTVBPMWAYRD-SFHVURJKSA-N 2 0 346.475 1.748 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033884014 708985979 /nfs/dbraw/zinc/98/59/79/708985979.db2.gz WGNWHOFQEBYFSH-RDJZCZTQSA-N 2 0 342.443 1.907 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906358 709036354 /nfs/dbraw/zinc/03/63/54/709036354.db2.gz OCWBLVWAQBQGDN-AGYKMIKPSA-N 2 0 349.519 1.819 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCc2cnn(C)c2)C1 ZINC001033941576 709148244 /nfs/dbraw/zinc/14/82/44/709148244.db2.gz QBDUMXYRXMABDA-SFHVURJKSA-N 2 0 347.507 1.227 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033941668 709148247 /nfs/dbraw/zinc/14/82/47/709148247.db2.gz RQMSWXLHGDWFKE-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@H](OC)C2CCC2)C1 ZINC001034018437 709235714 /nfs/dbraw/zinc/23/57/14/709235714.db2.gz ZHPFWTWOSORVCI-ROUUACIJSA-N 2 0 349.519 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001034039319 709272359 /nfs/dbraw/zinc/27/23/59/709272359.db2.gz HQYYEBPFLWCLSQ-CVEARBPZSA-N 2 0 334.464 1.666 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001034039553 709272560 /nfs/dbraw/zinc/27/25/60/709272560.db2.gz KCXMGPGFGUEINX-CABCVRRESA-N 2 0 329.435 1.906 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002811703 709417526 /nfs/dbraw/zinc/41/75/26/709417526.db2.gz QQUFCTIYIJAZBH-CRAIPNDOSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)=CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034209690 709559493 /nfs/dbraw/zinc/55/94/93/709559493.db2.gz LAFVAIKGXJKLPR-QGZVFWFLSA-N 2 0 347.507 1.995 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257528 709642274 /nfs/dbraw/zinc/64/22/74/709642274.db2.gz KIARMJLJOOGJJI-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011181 709783245 /nfs/dbraw/zinc/78/32/45/709783245.db2.gz NBBBVTNKBKBKGN-RDJZCZTQSA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)CC1 ZINC001034474424 710079660 /nfs/dbraw/zinc/07/96/60/710079660.db2.gz KSZMUTPGEWMZFW-KRWDZBQOSA-N 2 0 325.497 1.460 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@H]1CCc2cncn2C1 ZINC001003192791 710127501 /nfs/dbraw/zinc/12/75/01/710127501.db2.gz KCHGXGWVHWCRBN-MAUKXSAKSA-N 2 0 346.475 1.595 20 0 EDADRP Cc1noc(CCC[NH+]2CCCC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525690 710176224 /nfs/dbraw/zinc/17/62/24/710176224.db2.gz OUHWFFKKHHBDSZ-JKSUJKDBSA-N 2 0 349.479 1.233 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034607071 710270290 /nfs/dbraw/zinc/27/02/90/710270290.db2.gz KELBNMXVFLZXRZ-KBUPBQIOSA-N 2 0 348.495 1.539 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC001032838335 710279076 /nfs/dbraw/zinc/27/90/76/710279076.db2.gz LAVHDCYDHQYVRA-FGTMMUONSA-N 2 0 349.450 1.014 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034659696 710589121 /nfs/dbraw/zinc/58/91/21/710589121.db2.gz XZVXLYKYYGYHLI-BRWVUGGUSA-N 2 0 348.495 1.170 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001034675606 710631434 /nfs/dbraw/zinc/63/14/34/710631434.db2.gz QSDGTXODJADQQZ-OTRWWLKZSA-N 2 0 347.463 1.604 20 0 EDADRP Cc1nnc(CN[C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001034735366 710919923 /nfs/dbraw/zinc/91/99/23/710919923.db2.gz GAPAOXHCEVLRFF-BPLDGKMQSA-N 2 0 335.452 1.379 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)nn1C ZINC001034735721 710921973 /nfs/dbraw/zinc/92/19/73/710921973.db2.gz MXXLIZBDCOEPDN-XIRDDKMYSA-N 2 0 347.507 1.730 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034737841 710950900 /nfs/dbraw/zinc/95/09/00/710950900.db2.gz NVNKJNHXCATIKU-KCYZZUKISA-N 2 0 333.480 1.135 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738593 710954229 /nfs/dbraw/zinc/95/42/29/710954229.db2.gz ULEGIPCXSWYNRA-ZQDZILKHSA-N 2 0 336.505 1.858 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)CC1 ZINC001034747750 710975363 /nfs/dbraw/zinc/97/53/63/710975363.db2.gz KPUCLORSNARYNO-IYARVYRRSA-N 2 0 347.507 1.632 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)no1 ZINC001034776972 711055308 /nfs/dbraw/zinc/05/53/08/711055308.db2.gz CYIXNYNQBPUMMP-SHTZXODSSA-N 2 0 332.448 1.596 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC001034793454 711123649 /nfs/dbraw/zinc/12/36/49/711123649.db2.gz DZFNJQBLCMGVSG-YWTNHNAXSA-N 2 0 335.492 1.526 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001003986863 711194330 /nfs/dbraw/zinc/19/43/30/711194330.db2.gz ZKSGOPIMJPWRCA-DNVCBOLYSA-N 2 0 333.476 1.089 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001034881908 711282434 /nfs/dbraw/zinc/28/24/34/711282434.db2.gz PFPAJFSREMYZJM-AEFFLSMTSA-N 2 0 331.460 1.870 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)cn1 ZINC001034957388 711429055 /nfs/dbraw/zinc/42/90/55/711429055.db2.gz RNNHFNFNVHZFND-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cn(C)nc2C)CC[N@@H+]1C ZINC001034940640 711444414 /nfs/dbraw/zinc/44/44/14/711444414.db2.gz AKANCVRDVGPGAV-FGTMMUONSA-N 2 0 347.507 1.539 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccnn2C)CC[N@@H+]1C ZINC001034941223 711445769 /nfs/dbraw/zinc/44/57/69/711445769.db2.gz MZWLWOTUYIEATI-IXDOHACOSA-N 2 0 333.480 1.231 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c[nH]c(C(=O)OC)c3)C2)[C@H]1C(C)C ZINC000922395048 711451041 /nfs/dbraw/zinc/45/10/41/711451041.db2.gz UAZFHRHRSHUHTF-MTNOOBJLSA-N 2 0 349.475 1.761 20 0 EDADRP CCc1nn(C)cc1C[NH2+][C@@H]1C[C@]2(C[N@@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922395320 711451143 /nfs/dbraw/zinc/45/11/43/711451143.db2.gz VDBMNTDMTOIUHX-AKHDSKFASA-N 2 0 334.508 1.942 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1Cl)C2 ZINC000922391087 711455451 /nfs/dbraw/zinc/45/54/51/711455451.db2.gz RVFTYWZQAAYLSU-NYTXWWLZSA-N 2 0 326.872 1.643 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1Cl)C2 ZINC000922391084 711455505 /nfs/dbraw/zinc/45/55/05/711455505.db2.gz RVFTYWZQAAYLSU-HGTKMLMNSA-N 2 0 326.872 1.643 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000922411449 711486732 /nfs/dbraw/zinc/48/67/32/711486732.db2.gz AGLVYFNSMKHAMT-WBTNSWJXSA-N 2 0 348.495 1.195 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033140776 711940293 /nfs/dbraw/zinc/94/02/93/711940293.db2.gz JIRJINQFPPSTPL-ZWKOTPCHSA-N 2 0 335.492 1.573 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004617510 712077573 /nfs/dbraw/zinc/07/75/73/712077573.db2.gz QVGJEVCHTXEVAQ-MJGOQNOKSA-N 2 0 349.519 1.822 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3ccon3)CC2)C1 ZINC001004618525 712079145 /nfs/dbraw/zinc/07/91/45/712079145.db2.gz XODAYUSYBQLTSN-SJLPKXTDSA-N 2 0 346.475 1.829 20 0 EDADRP CCN(C[C@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1)CC(F)(F)F ZINC000431068936 305074255 /nfs/dbraw/zinc/07/42/55/305074255.db2.gz DMTMNAMXJWKZKF-LLVKDONJSA-N 2 0 349.401 1.970 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000343092831 282119906 /nfs/dbraw/zinc/11/99/06/282119906.db2.gz QRIMUDALWWSJLI-GOEBONIOSA-N 2 0 325.522 1.614 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009554 297222966 /nfs/dbraw/zinc/22/29/66/297222966.db2.gz BAONBTUPUJLSDU-IAGOWNOFSA-N 2 0 326.529 1.306 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000105082499 282172727 /nfs/dbraw/zinc/17/27/27/282172727.db2.gz KEAAAEAPYMEDKQ-QZTJIDSGSA-N 2 0 332.492 1.895 20 0 EDADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412118964 303974105 /nfs/dbraw/zinc/97/41/05/303974105.db2.gz CCBPQHGMQGBOIX-KZNAEPCWSA-N 3 0 340.556 1.980 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(OCCCO)CC2)cc1 ZINC000093694161 539522791 /nfs/dbraw/zinc/52/27/91/539522791.db2.gz QWRFWSLEKZPZRJ-UHFFFAOYSA-N 2 0 336.476 1.990 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436125041 539569697 /nfs/dbraw/zinc/56/96/97/539569697.db2.gz PABRBHMKIUODEE-GJZGRUSLSA-N 2 0 328.501 1.203 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[C@H](C[NH3+])C1)CC(C)C ZINC000561234538 306284997 /nfs/dbraw/zinc/28/49/97/306284997.db2.gz GDNYKDIPQBCWBF-HZPDHXFCSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ncc[nH]1 ZINC000353498667 539934508 /nfs/dbraw/zinc/93/45/08/539934508.db2.gz SABJAMZTTZQSCI-OAHLLOKOSA-N 2 0 329.452 1.453 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000562998433 306315247 /nfs/dbraw/zinc/31/52/47/306315247.db2.gz IPRUNSOHXFCGOW-VAMGGRTRSA-N 2 0 331.504 1.768 20 0 EDADRP CO[C@H]1CCN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)[C@@H](C[NH3+])C1 ZINC000563158726 306320868 /nfs/dbraw/zinc/32/08/68/306320868.db2.gz ITMUYAFEDZRMLH-SJORKVTESA-N 2 0 344.459 1.568 20 0 EDADRP O=C(CCc1c[nH]cn1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000276546301 540061955 /nfs/dbraw/zinc/06/19/55/540061955.db2.gz GYCXJDAMUYYQOX-KRWDZBQOSA-N 2 0 328.416 1.225 20 0 EDADRP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000166100289 540074891 /nfs/dbraw/zinc/07/48/91/540074891.db2.gz ZMPNDIIEKVMSMJ-ZWKOTPCHSA-N 2 0 329.492 1.550 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000130755261 291075866 /nfs/dbraw/zinc/07/58/66/291075866.db2.gz KDXRLILJDSBKAJ-WDYCEAGBSA-N 2 0 348.491 1.261 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785306 283160338 /nfs/dbraw/zinc/16/03/38/283160338.db2.gz RMHFMPNVWQLDKG-OALUTQOASA-N 2 0 327.472 1.931 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000077622386 138253528 /nfs/dbraw/zinc/25/35/28/138253528.db2.gz QDSSFBWYNMKZBV-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CC1CC[NH+](CCNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000079167707 138260718 /nfs/dbraw/zinc/26/07/18/138260718.db2.gz CWYMQZURWBOPBI-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000418940698 283210072 /nfs/dbraw/zinc/21/00/72/283210072.db2.gz TXSSWFVRFWQTHE-CVEARBPZSA-N 2 0 340.512 1.343 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000563582879 306339859 /nfs/dbraw/zinc/33/98/59/306339859.db2.gz KGYLOSJPCNRQNW-OAHLLOKOSA-N 2 0 325.416 1.706 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCN(C(N)=O)CC2)CC1 ZINC000092754263 138290263 /nfs/dbraw/zinc/29/02/63/138290263.db2.gz FWINSDFMBUBRGS-UHFFFAOYSA-N 2 0 345.491 1.415 20 0 EDADRP COc1ccc(CCC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1Cl ZINC000563809478 306347918 /nfs/dbraw/zinc/34/79/18/306347918.db2.gz AQWKFFVNMKUTSR-CYBMUJFWSA-N 2 0 325.840 1.383 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563810224 306348150 /nfs/dbraw/zinc/34/81/50/306348150.db2.gz JSZHIBRAZQVSHD-OTWHNJEPSA-N 2 0 343.471 1.618 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000563812038 306348055 /nfs/dbraw/zinc/34/80/55/306348055.db2.gz RDIXPPKYCCVDND-INIZCTEOSA-N 2 0 331.460 1.276 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000564560224 306360600 /nfs/dbraw/zinc/36/06/00/306360600.db2.gz WVORYCMUHPILMV-AFAVFJNCSA-N 2 0 337.489 1.633 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000564905819 306369182 /nfs/dbraw/zinc/36/91/82/306369182.db2.gz CPXGYGACZFYLPN-RDJZCZTQSA-N 2 0 345.491 1.357 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000564938607 306370492 /nfs/dbraw/zinc/37/04/92/306370492.db2.gz XMMJHSXJYDPFJV-WMHQRMGPSA-N 2 0 326.485 1.179 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000565352547 306381986 /nfs/dbraw/zinc/38/19/86/306381986.db2.gz CAPOPVHDRPBEOA-MSOLQXFVSA-N 2 0 346.475 1.410 20 0 EDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000565351211 306382090 /nfs/dbraw/zinc/38/20/90/306382090.db2.gz XBRTVGPXYABFKS-KBXCAEBGSA-N 2 0 331.460 1.651 20 0 EDADRP Cc1noc(C)c1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000072542595 216271137 /nfs/dbraw/zinc/27/11/37/216271137.db2.gz LBWKZMZOTFYZKG-UHFFFAOYSA-N 2 0 346.497 1.186 20 0 EDADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000565420742 306383593 /nfs/dbraw/zinc/38/35/93/306383593.db2.gz OLPXUDRFTSJOCA-IIDMSEBBSA-N 2 0 347.459 1.324 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000333408265 283656034 /nfs/dbraw/zinc/65/60/34/283656034.db2.gz QWVFZSJQZHMNRL-BRWVUGGUSA-N 2 0 338.496 1.148 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000565616549 306387630 /nfs/dbraw/zinc/38/76/30/306387630.db2.gz ANWWCGWANGOKPJ-MRXNPFEDSA-N 2 0 325.497 1.602 20 0 EDADRP CC[NH2+]CCCNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000565706122 306388982 /nfs/dbraw/zinc/38/89/82/306388982.db2.gz TVRKOTLSMZUWLV-UHFFFAOYSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000565714700 306389612 /nfs/dbraw/zinc/38/96/12/306389612.db2.gz WHLRGTFRQMOWRM-JKSUJKDBSA-N 2 0 348.495 1.272 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566020276 306396807 /nfs/dbraw/zinc/39/68/07/306396807.db2.gz KTONQMUSIDLDQX-ROUUACIJSA-N 2 0 344.503 1.975 20 0 EDADRP CC[C@H]1CCCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566059372 306397234 /nfs/dbraw/zinc/39/72/34/306397234.db2.gz UYWPRHYWZIHZKM-HOTGVXAUSA-N 2 0 340.512 1.023 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000414695031 304128316 /nfs/dbraw/zinc/12/83/16/304128316.db2.gz UKCPMGJGUDZEPV-OAHLLOKOSA-N 2 0 349.450 1.866 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000414693667 304128436 /nfs/dbraw/zinc/12/84/36/304128436.db2.gz FDBBPMJBDZRBCA-IAGOWNOFSA-N 2 0 344.459 1.478 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414702915 304129750 /nfs/dbraw/zinc/12/97/50/304129750.db2.gz LCEAMTURZGWBOX-AWEZNQCLSA-N 2 0 344.459 1.261 20 0 EDADRP CC(C)CCOC1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414711500 304131248 /nfs/dbraw/zinc/13/12/48/304131248.db2.gz UDFGUEBYIBQVRJ-MRXNPFEDSA-N 2 0 325.497 1.711 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414731673 304134204 /nfs/dbraw/zinc/13/42/04/304134204.db2.gz HRSWKDRQRZUQGD-HKUYNNGSSA-N 2 0 344.503 1.393 20 0 EDADRP CCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)C(=O)OCC ZINC000414758624 304137540 /nfs/dbraw/zinc/13/75/40/304137540.db2.gz MVCFFTGARDGEMF-CABCVRRESA-N 2 0 327.469 1.237 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000414765213 304138699 /nfs/dbraw/zinc/13/86/99/304138699.db2.gz ZNBBQLNWSDEELU-JKSUJKDBSA-N 2 0 348.466 1.770 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(=O)NC(N)=O ZINC000112708715 296135648 /nfs/dbraw/zinc/13/56/48/296135648.db2.gz VTSXGIZLZFLNFL-CQSZACIVSA-N 2 0 332.448 1.736 20 0 EDADRP COc1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(OC)c1O ZINC000415059958 304155637 /nfs/dbraw/zinc/15/56/37/304155637.db2.gz VPKUUGYBUVBHDD-UHFFFAOYSA-N 2 0 349.475 1.715 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000415064553 304156133 /nfs/dbraw/zinc/15/61/33/304156133.db2.gz CVPSXVZHPMMGTP-AWEZNQCLSA-N 2 0 336.505 1.994 20 0 EDADRP COC(=O)c1cccc2c1CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000415094352 304158918 /nfs/dbraw/zinc/15/89/18/304158918.db2.gz JUYPZJRPOSBWIH-AWEZNQCLSA-N 2 0 345.443 1.029 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000415095987 304159481 /nfs/dbraw/zinc/15/94/81/304159481.db2.gz AGGCAKLNXGYSAL-MRXNPFEDSA-N 2 0 345.487 1.818 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)cc1 ZINC000415106668 304160677 /nfs/dbraw/zinc/16/06/77/304160677.db2.gz OBZPILMSIDBINF-JKSUJKDBSA-N 2 0 331.460 1.841 20 0 EDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000415107835 304160951 /nfs/dbraw/zinc/16/09/51/304160951.db2.gz PHTDRUBTAVGBPB-OIPACUDHSA-N 2 0 333.480 1.640 20 0 EDADRP C[C@H](Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]1CC[NH2+]C1 ZINC000415116780 304161463 /nfs/dbraw/zinc/16/14/63/304161463.db2.gz IERIYWBGZOYXBN-YQQAZPJKSA-N 2 0 330.476 1.794 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C/C=C\c3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415142048 304163923 /nfs/dbraw/zinc/16/39/23/304163923.db2.gz QPCOYAUDTGUPKG-IXXMMVOQSA-N 2 0 340.471 1.920 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000236631353 139027225 /nfs/dbraw/zinc/02/72/25/139027225.db2.gz CTCMKFUVCRDZSO-ZWKOTPCHSA-N 2 0 331.460 1.258 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236914197 139034943 /nfs/dbraw/zinc/03/49/43/139034943.db2.gz ITXYZNZZLYZRGF-HLLBOEOZSA-N 2 0 325.497 1.852 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236943263 139035878 /nfs/dbraw/zinc/03/58/78/139035878.db2.gz RBSVJLAFWACRIS-GOSISDBHSA-N 2 0 332.492 1.438 20 0 EDADRP Cc1c(C(=O)Nc2cccc(C[NH+](C)C)c2)nnn1C1CC[NH2+]CC1 ZINC000237074929 139039757 /nfs/dbraw/zinc/03/97/57/139039757.db2.gz MYRHFNBPVKPYSX-UHFFFAOYSA-N 2 0 342.447 1.825 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000567378161 306449799 /nfs/dbraw/zinc/44/97/99/306449799.db2.gz QQWUZCZDQAEMPU-XUVXKRRUSA-N 2 0 347.503 1.352 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000415179868 304171612 /nfs/dbraw/zinc/17/16/12/304171612.db2.gz KHMCMLYKXIHBOV-FVQHAEBGSA-N 2 0 332.448 1.747 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237501456 139052710 /nfs/dbraw/zinc/05/27/10/139052710.db2.gz MVDBUYIEIBTSCH-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccccn1 ZINC000080603658 217317952 /nfs/dbraw/zinc/31/79/52/217317952.db2.gz HQKYJSOULAMWDU-KRWDZBQOSA-N 2 0 333.480 1.639 20 0 EDADRP [NH3+]C1(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCCCC1 ZINC000237740121 139059196 /nfs/dbraw/zinc/05/91/96/139059196.db2.gz JEOBVAYTQMXVBS-UHFFFAOYSA-N 2 0 344.503 1.977 20 0 EDADRP Cn1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)c(=O)n(C)c1=O ZINC000237927413 139064115 /nfs/dbraw/zinc/06/41/15/139064115.db2.gz SITHNZYSPCALLJ-KRWDZBQOSA-N 2 0 342.443 1.011 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000238040678 139067448 /nfs/dbraw/zinc/06/74/48/139067448.db2.gz FYWCBHZJUWBJBJ-UHFFFAOYSA-N 2 0 330.476 1.315 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000238050187 139067681 /nfs/dbraw/zinc/06/76/81/139067681.db2.gz CNIRJTLMUXPWJB-MRXNPFEDSA-N 2 0 334.489 1.257 20 0 EDADRP CC[C@@H]1CN(C(=O)Cc2cn3ccccc3n2)CC[N@@H+]1C[C@H](C)O ZINC000247056903 139133594 /nfs/dbraw/zinc/13/35/94/139133594.db2.gz YVFRGBMXFDAJHK-GOEBONIOSA-N 2 0 330.432 1.180 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000568249401 306476889 /nfs/dbraw/zinc/47/68/89/306476889.db2.gz PDYBGEUHGMTHSW-LMMKCTJWSA-N 2 0 333.476 1.928 20 0 EDADRP O=C1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H](C2CC2)N1 ZINC000568252740 306477157 /nfs/dbraw/zinc/47/71/57/306477157.db2.gz NZVODGXDNLSHAO-JSJNYSNDSA-N 2 0 341.455 1.889 20 0 EDADRP COC(=O)c1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247281999 139143590 /nfs/dbraw/zinc/14/35/90/139143590.db2.gz SVYGKQNKGAEFPP-DOTOQJQBSA-N 2 0 345.443 1.828 20 0 EDADRP C[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000248860333 139178083 /nfs/dbraw/zinc/17/80/83/139178083.db2.gz DBNAZVUVUYDTKR-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000352149671 250072662 /nfs/dbraw/zinc/07/26/62/250072662.db2.gz UPZKUJIHXVWEMU-JKSUJKDBSA-N 2 0 328.501 1.373 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000261678994 139216896 /nfs/dbraw/zinc/21/68/96/139216896.db2.gz HFTRMPNPMCVLLC-QGZVFWFLSA-N 2 0 341.459 1.451 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])ccc1C[NH+](C)C ZINC000415460272 304223759 /nfs/dbraw/zinc/22/37/59/304223759.db2.gz YOUHMMGCACNUAG-CJNGLKHVSA-N 2 0 332.448 1.239 20 0 EDADRP Cc1cccc(NC(=O)CN2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)c1C ZINC000261940000 139238800 /nfs/dbraw/zinc/23/88/00/139238800.db2.gz DOLGXILTCPCAPI-FQEVSTJZSA-N 2 0 344.503 1.859 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000262012808 139243862 /nfs/dbraw/zinc/24/38/62/139243862.db2.gz FNRRCRQPLBODCT-AEFFLSMTSA-N 2 0 348.491 1.067 20 0 EDADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262124857 139252959 /nfs/dbraw/zinc/25/29/59/139252959.db2.gz MVSNCMAZPIRLJN-IBGZPJMESA-N 2 0 339.487 1.969 20 0 EDADRP COC[C@]1(CNC(=O)Nc2ccccc2CC[NH+](C)C)CCC[NH2+]1 ZINC000415559856 251013052 /nfs/dbraw/zinc/01/30/52/251013052.db2.gz FIHWELIYMNTBCI-GOSISDBHSA-N 2 0 334.464 1.681 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)ccc1C[NH+](C)C ZINC000415820234 251031779 /nfs/dbraw/zinc/03/17/79/251031779.db2.gz ATPZEMZUMYVPMN-UHFFFAOYSA-N 2 0 332.448 1.206 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000569349570 306504833 /nfs/dbraw/zinc/50/48/33/306504833.db2.gz OOMAGJPKDMPPIM-LVYZTWJOSA-N 2 0 329.444 1.539 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+](C)C)cc1OC ZINC000416831121 251112746 /nfs/dbraw/zinc/11/27/46/251112746.db2.gz SBMWKIMDDJFQRV-KGLIPLIRSA-N 2 0 336.436 1.049 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416873957 251113897 /nfs/dbraw/zinc/11/38/97/251113897.db2.gz OONUMXDTKPECKP-MSOLQXFVSA-N 2 0 330.476 1.759 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416987848 251119943 /nfs/dbraw/zinc/11/99/43/251119943.db2.gz TUQOOELPJQGOEF-MSOLQXFVSA-N 2 0 328.460 1.786 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccsc1 ZINC000417009254 251128238 /nfs/dbraw/zinc/12/82/38/251128238.db2.gz KAFAYOHSRZQYQK-IJEWVQPXSA-N 2 0 336.505 1.992 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000417015327 251132959 /nfs/dbraw/zinc/13/29/59/251132959.db2.gz FLSVQSIEFBYGQW-LJQANCHMSA-N 2 0 342.487 1.971 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000417307378 251154064 /nfs/dbraw/zinc/15/40/64/251154064.db2.gz HCBBMYUBHBDPMR-GJZGRUSLSA-N 2 0 338.452 1.422 20 0 EDADRP C[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1)C1C[NH2+]C1 ZINC000262338687 139271432 /nfs/dbraw/zinc/27/14/32/139271432.db2.gz HRNRGFUPPUEFGU-CVEARBPZSA-N 2 0 345.487 1.858 20 0 EDADRP C[C@@H](NC(=O)N[C@@H](C)C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417420594 251167486 /nfs/dbraw/zinc/16/74/86/251167486.db2.gz KECIDWXRUGTREM-QWHCGFSZSA-N 2 0 337.443 1.285 20 0 EDADRP NCC(F)(F)CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417499850 251180612 /nfs/dbraw/zinc/18/06/12/251180612.db2.gz ICBPNEWVCCACKS-HNNXBMFYSA-N 2 0 340.418 1.444 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417498511 251181375 /nfs/dbraw/zinc/18/13/75/251181375.db2.gz GBYHQJCXAGPCDG-QRVBRYPASA-N 2 0 344.503 1.978 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417549602 251186085 /nfs/dbraw/zinc/18/60/85/251186085.db2.gz UBLBRYKDHQULAR-HUUCEWRRSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](CNC(=O)N1CCNC[C@@](C)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000417576311 251194132 /nfs/dbraw/zinc/19/41/32/251194132.db2.gz HERRNGWEQUJAJT-CRAIPNDOSA-N 2 0 336.455 1.850 20 0 EDADRP COCC1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000262394299 139275971 /nfs/dbraw/zinc/27/59/71/139275971.db2.gz QAZOHSKYBLJILA-UHFFFAOYSA-N 2 0 349.475 1.972 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417753727 251256068 /nfs/dbraw/zinc/25/60/68/251256068.db2.gz UOQZJWDXGRVPRF-WMZOPIPTSA-N 2 0 347.507 1.259 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000417813867 251280419 /nfs/dbraw/zinc/28/04/19/251280419.db2.gz AJSLJRHADIHZQR-RHSMWYFYSA-N 2 0 339.443 1.494 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH3+])CC1 ZINC000417815185 251280632 /nfs/dbraw/zinc/28/06/32/251280632.db2.gz SMYIKPZIBSEFPC-UHFFFAOYSA-N 2 0 328.501 1.693 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000417944579 251317132 /nfs/dbraw/zinc/31/71/32/251317132.db2.gz CMOYQQDUYUHIHX-TUKIKUTGSA-N 2 0 340.855 1.358 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC([NH3+])(CC)CC)C1 ZINC000418424901 251367568 /nfs/dbraw/zinc/36/75/68/251367568.db2.gz IKRQYOSBRDULLI-HNNXBMFYSA-N 2 0 328.501 1.646 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000569481610 306508859 /nfs/dbraw/zinc/50/88/59/306508859.db2.gz LKZKXCQFLMZNDC-IBGZPJMESA-N 2 0 338.455 1.732 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418476982 251373689 /nfs/dbraw/zinc/37/36/89/251373689.db2.gz UHWSCBWRSYWSTB-PMPSAXMXSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262528957 139284504 /nfs/dbraw/zinc/28/45/04/139284504.db2.gz MOMWQYREHBBTIM-GJZGRUSLSA-N 2 0 346.475 1.112 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000418749680 251411202 /nfs/dbraw/zinc/41/12/02/251411202.db2.gz MPSVXGAQZREZOW-CQSZACIVSA-N 2 0 330.423 1.644 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418680481 251384803 /nfs/dbraw/zinc/38/48/03/251384803.db2.gz XTBSJQDXRWTPMX-DZJNRPSUSA-N 2 0 334.508 1.890 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C ZINC000418685685 251385952 /nfs/dbraw/zinc/38/59/52/251385952.db2.gz NHUXUTVUWUOXRQ-UOVPBQLFSA-N 2 0 330.476 1.866 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC([N@H+]3CCO[C@H](C)C3)CC2)cc1 ZINC000262606353 139289610 /nfs/dbraw/zinc/28/96/10/139289610.db2.gz ATVLSFJLHZWCSF-QAPCUYQASA-N 2 0 331.460 1.707 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262653109 139293436 /nfs/dbraw/zinc/29/34/36/139293436.db2.gz SDGFDHGGJUHSMN-WMZOPIPTSA-N 2 0 332.492 1.466 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000262694612 139296837 /nfs/dbraw/zinc/29/68/37/139296837.db2.gz CHLGMWCPORYVFX-HXUWFJFHSA-N 2 0 346.519 1.958 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262739753 139300307 /nfs/dbraw/zinc/30/03/07/139300307.db2.gz JCSVJVMRNSSEDU-SJLPKXTDSA-N 2 0 341.459 1.840 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262788588 139303591 /nfs/dbraw/zinc/30/35/91/139303591.db2.gz NZAYFTFOGLRETA-KRWDZBQOSA-N 2 0 345.491 1.756 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000262853969 139308051 /nfs/dbraw/zinc/30/80/51/139308051.db2.gz VQTRXGWOLJXYIR-JKSUJKDBSA-N 2 0 331.464 1.366 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422902655 252016501 /nfs/dbraw/zinc/01/65/01/252016501.db2.gz UXJHHJVNDTXOMY-MWQQHZPXSA-N 2 0 348.443 1.665 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898926 252017272 /nfs/dbraw/zinc/01/72/72/252017272.db2.gz NHOBJSWPVILIPO-IRXDYDNUSA-N 2 0 335.448 1.010 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422902654 252017334 /nfs/dbraw/zinc/01/73/34/252017334.db2.gz UXJHHJVNDTXOMY-BSWAZPDLSA-N 2 0 348.443 1.665 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)[C@H](O)C(C)C)CC[NH2+]CC1 ZINC000423008314 252026332 /nfs/dbraw/zinc/02/63/32/252026332.db2.gz ZVNFCVYRYWZDMG-HUUCEWRRSA-N 2 0 328.497 1.941 20 0 EDADRP c1ccc(C[C@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423174669 252042030 /nfs/dbraw/zinc/04/20/30/252042030.db2.gz BUCZJIQPCDQFNG-IBGZPJMESA-N 2 0 325.460 1.645 20 0 EDADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423181268 252043485 /nfs/dbraw/zinc/04/34/85/252043485.db2.gz JMMUHAALNSLAID-OAHLLOKOSA-N 2 0 335.448 1.184 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423182591 252043917 /nfs/dbraw/zinc/04/39/17/252043917.db2.gz QMKFNEDXUVXWFP-QGZVFWFLSA-N 3 0 334.508 1.573 20 0 EDADRP CC1(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC[NH2+]CC1 ZINC000423321019 252046366 /nfs/dbraw/zinc/04/63/66/252046366.db2.gz FWDZOLILJSBYBV-MRXNPFEDSA-N 2 0 337.489 1.691 20 0 EDADRP COC[C@@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC[NH2+]C1 ZINC000423354976 252050779 /nfs/dbraw/zinc/05/07/79/252050779.db2.gz DKQZCBMQHVASDU-LJQANCHMSA-N 2 0 333.476 1.769 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352265 252050796 /nfs/dbraw/zinc/05/07/96/252050796.db2.gz AEOOBLXAXBOAFD-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCCN2CC)CC[NH2+]CC1 ZINC000422912299 252020110 /nfs/dbraw/zinc/02/01/10/252020110.db2.gz VWJNHNPMDZUYDQ-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000423949048 252107358 /nfs/dbraw/zinc/10/73/58/252107358.db2.gz GUOCUPDXHSQMOC-QGZVFWFLSA-N 2 0 332.492 1.688 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000424043636 252122786 /nfs/dbraw/zinc/12/27/86/252122786.db2.gz NOVFBLBOFXEOKM-CMPFZWEDSA-N 2 0 335.492 1.365 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424154838 252147845 /nfs/dbraw/zinc/14/78/45/252147845.db2.gz MFBVIVUWZJXTSF-CABCVRRESA-N 2 0 334.468 1.053 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CC[C@H](C)[NH3+])CC2)c1 ZINC000262922284 139312957 /nfs/dbraw/zinc/31/29/57/139312957.db2.gz ZLYFQWQMLXNMFM-KRWDZBQOSA-N 2 0 332.492 1.751 20 0 EDADRP O=C([C@@H]1C[C@@]12CC[NH2+]C2)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218907 252166459 /nfs/dbraw/zinc/16/64/59/252166459.db2.gz XXIPKAFASOQUKR-PNYFIKQUSA-N 2 0 325.456 1.719 20 0 EDADRP [NH3+]C1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCOCC1 ZINC000424218741 252167702 /nfs/dbraw/zinc/16/77/02/252167702.db2.gz WNZGQVBPXKBRAK-DLBZAZTESA-N 2 0 329.444 1.227 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424219124 252167866 /nfs/dbraw/zinc/16/78/66/252167866.db2.gz ZLOSOZVLVZHEDS-MRXNPFEDSA-N 2 0 337.439 1.437 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000424472326 252244906 /nfs/dbraw/zinc/24/49/06/252244906.db2.gz UWKKIAFTYUOZGO-AWEZNQCLSA-N 2 0 332.448 1.192 20 0 EDADRP Cn1nccc1N1CCC[C@@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425897993 252313919 /nfs/dbraw/zinc/31/39/19/252313919.db2.gz XBUKCZAGPZZSFQ-OAHLLOKOSA-N 2 0 344.463 1.634 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]2)c1 ZINC000415623168 304240950 /nfs/dbraw/zinc/24/09/50/304240950.db2.gz FTQWLUZOONWZQR-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP COC1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[NH2+]CC1 ZINC000164736020 532972015 /nfs/dbraw/zinc/97/20/15/532972015.db2.gz YAQAZUHFFLVRHZ-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000351884987 285020604 /nfs/dbraw/zinc/02/06/04/285020604.db2.gz CLERIEVWKYOWEW-NVXWUHKLSA-N 2 0 340.512 1.469 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C(C)C)[NH+]1CCCC1 ZINC000111856798 285034598 /nfs/dbraw/zinc/03/45/98/285034598.db2.gz UTFHJPQOJCYHFU-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000445150912 285058786 /nfs/dbraw/zinc/05/87/86/285058786.db2.gz PMFKQKXUGIBVHG-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000415678033 304254619 /nfs/dbraw/zinc/25/46/19/304254619.db2.gz PUTQTSMDYHQNKJ-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)[C@@H]3C[NH2+]C[C@H]3c3ccc(Cl)cc3)C[C@H]12 ZINC000570055058 306529152 /nfs/dbraw/zinc/52/91/52/306529152.db2.gz JMPVUHBTXLUCEA-BTYMGIQYSA-N 2 0 333.863 1.839 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]([NH3+])C1)[NH+]1CCCCC1 ZINC000570187167 306532827 /nfs/dbraw/zinc/53/28/27/306532827.db2.gz WEVNQKBIRGNSNM-DOTOQJQBSA-N 2 0 346.475 1.965 20 0 EDADRP CC[N@H+](CCNC(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000263705117 139354113 /nfs/dbraw/zinc/35/41/13/139354113.db2.gz JCODOGDOODVRIF-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000487275036 255028417 /nfs/dbraw/zinc/02/84/17/255028417.db2.gz YQVBGWWCWOMGPH-SPUZQDLCSA-N 2 0 330.476 1.731 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CNC(=O)C(C)(C)C ZINC000125577467 285243601 /nfs/dbraw/zinc/24/36/01/285243601.db2.gz VDRKJKIDBWNMHL-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487574963 255033199 /nfs/dbraw/zinc/03/31/99/255033199.db2.gz PUZOXVFOGXNDPC-SJORKVTESA-N 2 0 340.512 1.395 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701610 285245302 /nfs/dbraw/zinc/24/53/02/285245302.db2.gz KHGGLMVWCNORNS-JKSUJKDBSA-N 3 0 327.517 1.171 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](OC)C1 ZINC000249015596 285245755 /nfs/dbraw/zinc/24/57/55/285245755.db2.gz JHFLVELHHJSODI-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(O)cc1O ZINC000272894840 285249314 /nfs/dbraw/zinc/24/93/14/285249314.db2.gz ZTAHJSCSUJYJBP-CQSZACIVSA-N 2 0 335.448 1.586 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]CCCNC(=O)OC(C)(C)C)CCCO1 ZINC000496239287 255369008 /nfs/dbraw/zinc/36/90/08/255369008.db2.gz XSLBPJSWPNBRDZ-HNNXBMFYSA-N 2 0 329.485 1.992 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCC[NH3+] ZINC000418701607 285278728 /nfs/dbraw/zinc/27/87/28/285278728.db2.gz KHGGLMVWCNORNS-HOTGVXAUSA-N 3 0 327.517 1.171 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@H+](C)C1CC1 ZINC000118127940 221127062 /nfs/dbraw/zinc/12/70/62/221127062.db2.gz QQOZXVGISVEFQZ-AWEZNQCLSA-N 2 0 346.475 1.328 20 0 EDADRP C([NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000333561427 533372077 /nfs/dbraw/zinc/37/20/77/533372077.db2.gz KZXIYRIETPDTGF-NUEKZKHPSA-N 2 0 331.464 1.709 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000331907237 141096407 /nfs/dbraw/zinc/09/64/07/141096407.db2.gz LMCFPKZAYAJIOV-NUJGCVRESA-N 2 0 336.480 1.065 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1CC(C)(C)O ZINC000332226035 141143305 /nfs/dbraw/zinc/14/33/05/141143305.db2.gz BYRBOOQMQZAGCL-OWCLPIDISA-N 2 0 338.496 1.100 20 0 EDADRP O=C([C@H]1CCn2ccnc2C1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000333104118 141264638 /nfs/dbraw/zinc/26/46/38/141264638.db2.gz VXUHRHRJEATNRE-IRXDYDNUSA-N 2 0 346.475 1.549 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000333166692 141274854 /nfs/dbraw/zinc/27/48/54/141274854.db2.gz HMAUMAYIWNNYLV-LSTDLKDCSA-N 2 0 335.492 1.511 20 0 EDADRP [NH3+]CC[C@@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333501305 141327596 /nfs/dbraw/zinc/32/75/96/141327596.db2.gz HUYXJKCIKXVMAZ-IHXKFAGKSA-N 2 0 334.508 1.910 20 0 EDADRP COCC1(CNC(=O)N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)CC[NH2+]CC1 ZINC000333631556 141347944 /nfs/dbraw/zinc/34/79/44/141347944.db2.gz GQJSEDMREFQALV-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333649691 141350346 /nfs/dbraw/zinc/35/03/46/141350346.db2.gz JOVBPXDPFLTCAV-GOEBONIOSA-N 2 0 334.468 1.021 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000333833749 141390623 /nfs/dbraw/zinc/39/06/23/141390623.db2.gz JWTJEKRONHRVCG-IEBWSBKVSA-N 2 0 337.508 1.901 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000339314754 142011884 /nfs/dbraw/zinc/01/18/84/142011884.db2.gz DGEUTWJWYFNTTO-FUHWJXTLSA-N 2 0 348.491 1.699 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000339576301 142081797 /nfs/dbraw/zinc/08/17/97/142081797.db2.gz ZMPOJDYNLIMUIW-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000339612905 142093599 /nfs/dbraw/zinc/09/35/99/142093599.db2.gz GTPDMMCSWZCQEN-CVEARBPZSA-N 2 0 340.512 1.210 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340046092 142247251 /nfs/dbraw/zinc/24/72/51/142247251.db2.gz RULVHAOTDYNMCG-KRWDZBQOSA-N 2 0 339.505 1.522 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000340081209 142259886 /nfs/dbraw/zinc/25/98/86/142259886.db2.gz CAXYZJIECVDUFO-QMTHXVAHSA-N 2 0 328.254 1.595 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000345294396 143074366 /nfs/dbraw/zinc/07/43/66/143074366.db2.gz BQNHUQZVJRGRHN-GJZGRUSLSA-N 2 0 331.464 1.046 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000345706284 143123583 /nfs/dbraw/zinc/12/35/83/143123583.db2.gz GXINTQAUDGWBBY-HUUCEWRRSA-N 2 0 325.403 1.650 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000345724084 143125959 /nfs/dbraw/zinc/12/59/59/143125959.db2.gz SVWZOCBHPSUQEV-OAHLLOKOSA-N 2 0 341.402 1.242 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000345730632 143126715 /nfs/dbraw/zinc/12/67/15/143126715.db2.gz FRRDFEXMTVBEJV-TWMKSMIVSA-N 2 0 340.512 1.610 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000345737941 143127389 /nfs/dbraw/zinc/12/73/89/143127389.db2.gz FPPOWQMHPQMNHB-GJZGRUSLSA-N 2 0 326.485 1.004 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000345747952 143128538 /nfs/dbraw/zinc/12/85/38/143128538.db2.gz BQLIQYLXKNKTAV-OAHLLOKOSA-N 2 0 341.402 1.242 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000346378182 143198570 /nfs/dbraw/zinc/19/85/70/143198570.db2.gz RTEQKXAFAYJBFJ-IAGOWNOFSA-N 2 0 345.491 1.193 20 0 EDADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000347051874 143276836 /nfs/dbraw/zinc/27/68/36/143276836.db2.gz RRICMHJAFQEPLB-OAHLLOKOSA-N 2 0 332.448 1.124 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347665958 143347239 /nfs/dbraw/zinc/34/72/39/143347239.db2.gz ABAWPJHTQHBKGK-CVEARBPZSA-N 2 0 343.475 1.142 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@H]2C[NH+](C)CCN2C)cc1)C1CC1 ZINC000347881161 143374176 /nfs/dbraw/zinc/37/41/76/143374176.db2.gz INBDTUIIDLYYGN-IBGZPJMESA-N 2 0 344.503 1.647 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417549598 292168576 /nfs/dbraw/zinc/16/85/76/292168576.db2.gz UBLBRYKDHQULAR-GJZGRUSLSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416823430 304350040 /nfs/dbraw/zinc/35/00/40/304350040.db2.gz YHESZALYQFXBPR-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000416843585 304351050 /nfs/dbraw/zinc/35/10/50/304351050.db2.gz PEFBCZMQJXMZCV-MAUKXSAKSA-N 2 0 332.492 1.928 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416848473 304351643 /nfs/dbraw/zinc/35/16/43/304351643.db2.gz WTPABPMCTYPMBA-KSZLIROESA-N 2 0 328.460 1.797 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NCCN2CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000416848860 304351680 /nfs/dbraw/zinc/35/16/80/304351680.db2.gz XENHMSDEMIWUHS-GOSISDBHSA-N 2 0 347.507 1.056 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@@H](C)C1 ZINC000370646242 286061585 /nfs/dbraw/zinc/06/15/85/286061585.db2.gz QZXWEOPZNJHVSF-JQHSSLGASA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](CO)C2)CC1 ZINC000352749252 149149177 /nfs/dbraw/zinc/14/91/77/149149177.db2.gz AIDSDCTVVSHDML-KRWDZBQOSA-N 2 0 345.487 1.390 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@H](C)C1 ZINC000353028614 149259119 /nfs/dbraw/zinc/25/91/19/149259119.db2.gz BVXDSNKWBQXYKT-VQHPVUNQSA-N 2 0 340.512 1.346 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000416964743 304356398 /nfs/dbraw/zinc/35/63/98/304356398.db2.gz CSDLASYTCKWLOA-IRXDYDNUSA-N 2 0 334.464 1.001 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000416971935 304357705 /nfs/dbraw/zinc/35/77/05/304357705.db2.gz QXNJAUDBTOAXJP-SFHVURJKSA-N 2 0 334.464 1.507 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@@H]2C)CC1 ZINC000416971728 304357786 /nfs/dbraw/zinc/35/77/86/304357786.db2.gz HIMYNOMJFSPUOQ-INIZCTEOSA-N 2 0 330.476 1.963 20 0 EDADRP CCCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000416972808 304358389 /nfs/dbraw/zinc/35/83/89/304358389.db2.gz HIJNKPWRYCXNQN-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1 ZINC000416976940 304359239 /nfs/dbraw/zinc/35/92/39/304359239.db2.gz ALQHZORCPYZPBK-DZGCQCFKSA-N 2 0 335.452 1.089 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000355176726 150154069 /nfs/dbraw/zinc/15/40/69/150154069.db2.gz VVMIMEJQNPLWLL-GASCZTMLSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000357407939 151022859 /nfs/dbraw/zinc/02/28/59/151022859.db2.gz FXQKECVMXMPULD-QAPCUYQASA-N 2 0 331.460 1.731 20 0 EDADRP C[C@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1=CC[N@H+](C)CC1 ZINC000357820285 151161782 /nfs/dbraw/zinc/16/17/82/151161782.db2.gz ZOSJXYXHHGKJPY-OAGGEKHMSA-N 2 0 338.496 1.435 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCCC[C@H]2C)C1 ZINC000358409822 151366341 /nfs/dbraw/zinc/36/63/41/151366341.db2.gz ITQFKXYNOZQUDU-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000358473276 151388572 /nfs/dbraw/zinc/38/85/72/151388572.db2.gz FXGGFWYLDKPWES-UHFFFAOYSA-N 2 0 341.544 1.384 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501439 151397166 /nfs/dbraw/zinc/39/71/66/151397166.db2.gz TUEDTMOJSRZPBA-CQSZACIVSA-N 2 0 345.443 1.860 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360742803 152180739 /nfs/dbraw/zinc/18/07/39/152180739.db2.gz AUSNUIATXKAVIJ-GDBMZVCRSA-N 2 0 328.526 1.549 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360745765 152182190 /nfs/dbraw/zinc/18/21/90/152182190.db2.gz NDJDNXYILYIISI-RDJZCZTQSA-N 2 0 342.553 1.940 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360789566 152206424 /nfs/dbraw/zinc/20/64/24/152206424.db2.gz VOXDIKZGISYEEO-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NCC(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000360922338 152252407 /nfs/dbraw/zinc/25/24/07/152252407.db2.gz OLGNDIVOZSZTJS-GFCCVEGCSA-N 2 0 329.391 1.659 20 0 EDADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000360939603 152258117 /nfs/dbraw/zinc/25/81/17/152258117.db2.gz BNMUDCVMRGOJOX-IEBWSBKVSA-N 2 0 332.492 1.998 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417150831 304377921 /nfs/dbraw/zinc/37/79/21/304377921.db2.gz KOHJGEXTZQAHEV-QGZVFWFLSA-N 2 0 347.507 1.625 20 0 EDADRP COC(=O)C1=C(C)O[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000361233895 152342029 /nfs/dbraw/zinc/34/20/29/152342029.db2.gz FCJLRDLATKYVAT-INIZCTEOSA-N 2 0 338.448 1.267 20 0 EDADRP O=C(NCCCCNc1ccccn1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361289695 152354328 /nfs/dbraw/zinc/35/43/28/152354328.db2.gz WMPHUOSCJMCYLO-HOTGVXAUSA-N 2 0 347.463 1.436 20 0 EDADRP COCC1(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC1 ZINC000361298808 152357177 /nfs/dbraw/zinc/35/71/77/152357177.db2.gz ZDSOFAFPPCUNPA-GOSISDBHSA-N 2 0 339.524 1.530 20 0 EDADRP CN(CC[N@@H+]1CCCOCC1)C[C@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000361377976 152377779 /nfs/dbraw/zinc/37/77/79/152377779.db2.gz JTSDIIQXMOXNHT-MJGOQNOKSA-N 2 0 349.523 1.457 20 0 EDADRP O[C@@H](COc1ccccc1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363635484 153018799 /nfs/dbraw/zinc/01/87/99/153018799.db2.gz XNICIQOUCNXNCN-LJQANCHMSA-N 2 0 348.487 1.861 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCc1nnc(C2CC2)n1C ZINC000363707389 153035350 /nfs/dbraw/zinc/03/53/50/153035350.db2.gz QIVCYQIRILQUKE-VNQPRFMTSA-N 2 0 333.480 1.672 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000363798220 153059160 /nfs/dbraw/zinc/05/91/60/153059160.db2.gz BHNCXEQTUJUZBX-ATZDWAIDSA-N 2 0 327.472 1.965 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004170 153120384 /nfs/dbraw/zinc/12/03/84/153120384.db2.gz RZDPZWPCILLWCQ-FCEWJHQRSA-N 2 0 337.508 1.948 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000364203193 153171117 /nfs/dbraw/zinc/17/11/17/153171117.db2.gz YXYYNZKBWKDCGA-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364655004 153295606 /nfs/dbraw/zinc/29/56/06/153295606.db2.gz SNJYJEQYRSYDQX-KRWDZBQOSA-N 2 0 338.540 1.591 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000417231115 304386182 /nfs/dbraw/zinc/38/61/82/304386182.db2.gz MJKKRCFTUBWNPC-UHFFFAOYSA-N 2 0 330.476 1.904 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000367072471 154000619 /nfs/dbraw/zinc/00/06/19/154000619.db2.gz GLTYHLRHWNLWCZ-QZWWFDLISA-N 2 0 335.492 1.382 20 0 EDADRP CCCNC(=O)NC(=O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000367116361 154013204 /nfs/dbraw/zinc/01/32/04/154013204.db2.gz BIHXLERBPXNWGS-UHFFFAOYSA-N 2 0 347.463 1.214 20 0 EDADRP c1cn2c(n1)[C@@H](CNN1CCC[C@H](C[NH+]3CCOCC3)C1)CCC2 ZINC000367349293 154084796 /nfs/dbraw/zinc/08/47/96/154084796.db2.gz NTMXNWPYPPXJIP-IAGOWNOFSA-N 2 0 333.480 1.309 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCC(=O)NC3CCCC3)C2)CC1 ZINC000367622614 154202393 /nfs/dbraw/zinc/20/23/93/154202393.db2.gz JIXBRQGICUQYAJ-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)ccn1 ZINC000368002527 154362709 /nfs/dbraw/zinc/36/27/09/154362709.db2.gz SBMXKSWVZNPZPI-INIZCTEOSA-N 2 0 332.448 1.332 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000574640600 306654856 /nfs/dbraw/zinc/65/48/56/306654856.db2.gz LRFTYXQJRSKHRD-NUJGCVRESA-N 2 0 337.508 1.866 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000417351798 304394153 /nfs/dbraw/zinc/39/41/53/304394153.db2.gz DNBVUBIEXSNFJF-SFHVURJKSA-N 2 0 348.491 1.667 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@H]1C ZINC000417480417 304399178 /nfs/dbraw/zinc/39/91/78/304399178.db2.gz MLXMUDSMMWUQPR-HOTGVXAUSA-N 2 0 348.491 1.909 20 0 EDADRP Cc1cccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1O ZINC000371974564 156190449 /nfs/dbraw/zinc/19/04/49/156190449.db2.gz PMNFWSUQXVAASD-MRXNPFEDSA-N 2 0 331.460 1.941 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCCCC[NH3+])CCCC2)CC1 ZINC000417547254 304404613 /nfs/dbraw/zinc/40/46/13/304404613.db2.gz OFBIRLFPPYSDMM-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP CC(C)c1nccn1CCC(=O)N1CCN[C@H](c2cccnc2)C1 ZINC000374388290 157271734 /nfs/dbraw/zinc/27/17/34/157271734.db2.gz QOKMLBNRJVATHO-INIZCTEOSA-N 2 0 327.432 1.965 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)O1 ZINC000374519731 157314791 /nfs/dbraw/zinc/31/47/91/157314791.db2.gz JQPRACQXWABILX-WBVHZDCISA-N 2 0 335.423 1.413 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)CC1 ZINC000374516517 157315141 /nfs/dbraw/zinc/31/51/41/157315141.db2.gz YETIVIACKJWQGX-IBGZPJMESA-N 2 0 345.487 1.783 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCN3CCO[C@H](C)C3)CC2)CC1 ZINC000375599347 157611663 /nfs/dbraw/zinc/61/16/63/157611663.db2.gz PYEHJLKFQSOZRL-GOSISDBHSA-N 2 0 338.540 1.198 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000378196577 158105306 /nfs/dbraw/zinc/10/53/06/158105306.db2.gz NOQLPZQLMVGEHP-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CCCCCC[NH3+] ZINC000378204037 158107618 /nfs/dbraw/zinc/10/76/18/158107618.db2.gz KNDWCKAREVVARA-BRWVUGGUSA-N 2 0 325.497 1.901 20 0 EDADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378268148 158125061 /nfs/dbraw/zinc/12/50/61/158125061.db2.gz DFEPRCRXPDTWNL-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H](NC(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000417952922 304437314 /nfs/dbraw/zinc/43/73/14/304437314.db2.gz OWDNSWJDANMYQC-GDBMZVCRSA-N 2 0 349.479 1.209 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH+]2CCN1CCC2 ZINC000352148413 162013301 /nfs/dbraw/zinc/01/33/01/162013301.db2.gz LIDLKSBFMICCQT-RTBURBONSA-N 2 0 342.487 1.015 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000352221062 162057944 /nfs/dbraw/zinc/05/79/44/162057944.db2.gz GGOZWZXAZGLLCQ-SJORKVTESA-N 2 0 342.528 1.717 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNS(=O)(=O)CC[NH+](CC)CC ZINC000352264145 162081973 /nfs/dbraw/zinc/08/19/73/162081973.db2.gz GOCJKJDDSHRQKY-INIZCTEOSA-N 2 0 333.542 1.902 20 0 EDADRP CCOC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000352422838 162174992 /nfs/dbraw/zinc/17/49/92/162174992.db2.gz KXRPKZWRQMOTOD-QWFCFKBJSA-N 2 0 346.471 1.754 20 0 EDADRP Cn1c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc2oc1=O ZINC000352551007 162246278 /nfs/dbraw/zinc/24/62/78/162246278.db2.gz SJZLYXDGQYUSKG-HNNXBMFYSA-N 2 0 333.432 1.458 20 0 EDADRP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000364231116 162321529 /nfs/dbraw/zinc/32/15/29/162321529.db2.gz ATFLOSIFSAVWBO-CYBMUJFWSA-N 2 0 339.399 1.997 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000186122799 287091550 /nfs/dbraw/zinc/09/15/50/287091550.db2.gz GZPJYAYSPAVXMV-YESZJQIVSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000418173341 304459205 /nfs/dbraw/zinc/45/92/05/304459205.db2.gz SMHOKIZSKMQJLQ-OAHLLOKOSA-N 2 0 332.448 1.402 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1cc2ccccc2o1 ZINC000084937699 287317516 /nfs/dbraw/zinc/31/75/16/287317516.db2.gz QTTBQSNLDMCMDC-UHFFFAOYSA-N 2 0 339.461 1.547 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000121998960 287376969 /nfs/dbraw/zinc/37/69/69/287376969.db2.gz PNCWOJNRDVVYLV-BBWFWOEESA-N 2 0 325.497 1.457 20 0 EDADRP COC1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000166380447 226156401 /nfs/dbraw/zinc/15/64/01/226156401.db2.gz LOISEVOQKJMAQQ-SFHVURJKSA-N 2 0 345.487 1.436 20 0 EDADRP COC1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000166506262 226161229 /nfs/dbraw/zinc/16/12/29/226161229.db2.gz QXNJXRNDJHNADN-OAHLLOKOSA-N 2 0 331.460 1.318 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CC3CC[NH2+]CC3)ccc2oc1=O ZINC000166618220 226164153 /nfs/dbraw/zinc/16/41/53/226164153.db2.gz IDYJNOQBKRJCCH-UHFFFAOYSA-N 2 0 346.431 1.484 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000166724630 226167982 /nfs/dbraw/zinc/16/79/82/226167982.db2.gz YNTZZHBQMNMNJZ-GOEBONIOSA-N 2 0 335.473 1.205 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000122162628 222027286 /nfs/dbraw/zinc/02/72/86/222027286.db2.gz HERDEGCKERVURK-IRXDYDNUSA-N 2 0 342.528 1.715 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](CCn2nc3ccccn3c2=O)CC1 ZINC000123206869 222234950 /nfs/dbraw/zinc/23/49/50/222234950.db2.gz SUIUFMJURKVYKU-UHFFFAOYSA-N 2 0 331.464 1.550 20 0 EDADRP C[C@@H]1CN(C(C)(C)C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C[C@H](C)O1 ZINC000422789115 296941719 /nfs/dbraw/zinc/94/17/19/296941719.db2.gz AYKNLMIBZIYACK-CWQOZTLDSA-N 2 0 339.524 1.621 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418456197 304497473 /nfs/dbraw/zinc/49/74/73/304497473.db2.gz HNTVARYAEZNFRM-ZBFHGGJFSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188796659 272959757 /nfs/dbraw/zinc/95/97/57/272959757.db2.gz UHXVJRLWMHHXPK-DOTOQJQBSA-N 2 0 334.439 1.015 20 0 EDADRP CC[NH+](CC)CCOCC[N@@H+](Cc1ccccc1)C[C@@H](O)COC ZINC000273111699 273029292 /nfs/dbraw/zinc/02/92/92/273029292.db2.gz XNRXLOUEKWZMQR-LJQANCHMSA-N 2 0 338.492 1.854 20 0 EDADRP CCOC(=O)c1cnccc1N1CCN(CC(=O)N(CC)CC)CC1 ZINC000276358097 273163164 /nfs/dbraw/zinc/16/31/64/273163164.db2.gz YWKLWKDMVLXNRI-UHFFFAOYSA-N 2 0 348.447 1.249 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCOc2ccccc21 ZINC000154884401 287651586 /nfs/dbraw/zinc/65/15/86/287651586.db2.gz NOGUCEDOBVLGIF-MRXNPFEDSA-N 2 0 348.491 1.688 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000284055899 274063600 /nfs/dbraw/zinc/06/36/00/274063600.db2.gz JVHDGQHSQNZTFI-WOJBJXKFSA-N 2 0 347.503 1.540 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000284332472 274164394 /nfs/dbraw/zinc/16/43/94/274164394.db2.gz LQTPGLIAJQYDPA-UHFFFAOYSA-N 2 0 329.448 1.338 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000284591429 274256021 /nfs/dbraw/zinc/25/60/21/274256021.db2.gz MDXKKLSRARROKU-NZSAHSFTSA-N 2 0 345.487 1.544 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284674107 274289121 /nfs/dbraw/zinc/28/91/21/274289121.db2.gz MQWBIQXRJFVJPQ-GOSISDBHSA-N 2 0 331.460 1.870 20 0 EDADRP CC(C)C[C@H]1OCCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360703044 275602174 /nfs/dbraw/zinc/60/21/74/275602174.db2.gz LMSHUBOQOPOCNZ-ZWKOTPCHSA-N 2 0 337.508 1.913 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000358217910 276182263 /nfs/dbraw/zinc/18/22/63/276182263.db2.gz VRPHMWILPWIGKP-UHFFFAOYSA-N 2 0 342.487 1.996 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365681326 276186797 /nfs/dbraw/zinc/18/67/97/276186797.db2.gz WVKIPLCOADVQHR-KRWDZBQOSA-N 2 0 333.480 1.583 20 0 EDADRP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC000369776888 276195840 /nfs/dbraw/zinc/19/58/40/276195840.db2.gz DXQFVXUFXYZDPB-QZTJIDSGSA-N 2 0 336.524 1.203 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000355381326 276218211 /nfs/dbraw/zinc/21/82/11/276218211.db2.gz HICZMGGTFOFKFE-KSZLIROESA-N 2 0 335.492 1.715 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285963139 287902364 /nfs/dbraw/zinc/90/23/64/287902364.db2.gz GTEFDHNGUJCHEO-CQSZACIVSA-N 2 0 346.475 1.694 20 0 EDADRP COC[C@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000367713192 277261193 /nfs/dbraw/zinc/26/11/93/277261193.db2.gz QRAJPXFAMKFQOD-LSDHHAIUSA-N 2 0 333.432 1.065 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417647078 277286064 /nfs/dbraw/zinc/28/60/64/277286064.db2.gz DYALWVGJSJHMJP-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000333492963 277390725 /nfs/dbraw/zinc/39/07/25/277390725.db2.gz CODBXVFXLLHJHU-HOTGVXAUSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])CC1 ZINC000417800109 277679479 /nfs/dbraw/zinc/67/94/79/277679479.db2.gz BXSDFARXVHQOKM-RDJZCZTQSA-N 2 0 340.512 1.645 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433465154 279038559 /nfs/dbraw/zinc/03/85/59/279038559.db2.gz ZLAWHLCFAKIABD-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[N@@H+]1CCN(c2cc(-n3cccn3)nc(N)n2)C[C@H]1Cc1ccccc1 ZINC000286830583 288099263 /nfs/dbraw/zinc/09/92/63/288099263.db2.gz YCJMSNJCLCNLSZ-MRXNPFEDSA-N 2 0 349.442 1.608 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417744182 279360660 /nfs/dbraw/zinc/36/06/60/279360660.db2.gz DPMPCMIKVLLAOB-ZACQAIPSSA-N 2 0 339.528 1.171 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417026103 279396646 /nfs/dbraw/zinc/39/66/46/279396646.db2.gz RWYWOHDEPCFDFP-WMZOPIPTSA-N 2 0 347.507 1.402 20 0 EDADRP CC(C)NC(=O)CC[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171304650 279560954 /nfs/dbraw/zinc/56/09/54/279560954.db2.gz MOXNHYDYVGBCRF-HZPDHXFCSA-N 2 0 325.497 1.722 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C12CCCC2 ZINC000333335702 279936352 /nfs/dbraw/zinc/93/63/52/279936352.db2.gz XBXWKKVLXJGZFX-DFEOGRTESA-N 2 0 349.519 1.961 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000377580802 280046316 /nfs/dbraw/zinc/04/63/16/280046316.db2.gz ARLNEBVLXNBYLD-QRQLOZEOSA-N 2 0 344.503 1.479 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365309940 280321792 /nfs/dbraw/zinc/32/17/92/280321792.db2.gz LUCANYVGDXLXLJ-IRXDYDNUSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC1CC[NH+](C)CC1 ZINC000288986218 288607634 /nfs/dbraw/zinc/60/76/34/288607634.db2.gz YBWUVTJRKPKXLN-UHFFFAOYSA-N 2 0 349.479 1.306 20 0 EDADRP C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000289597775 288739392 /nfs/dbraw/zinc/73/93/92/288739392.db2.gz BLDCJZJZJYFOPE-CQSZACIVSA-N 2 0 343.493 1.169 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000290017528 288822240 /nfs/dbraw/zinc/82/22/40/288822240.db2.gz FCWXTQOMOFHQJS-SFHVURJKSA-N 2 0 349.475 1.148 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495430389 289068997 /nfs/dbraw/zinc/06/89/97/289068997.db2.gz UWWDFWVSUHLBDF-UHFFFAOYSA-N 2 0 342.528 1.905 20 0 EDADRP Cn1cc(C(=O)N2CCC(C[NH+](C)C)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424131244 289106605 /nfs/dbraw/zinc/10/66/05/289106605.db2.gz ITKQEEIEMWNURY-OAHLLOKOSA-N 2 0 333.480 1.301 20 0 EDADRP CN(CCC[NH+]1CCCC1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000337268873 289277187 /nfs/dbraw/zinc/27/71/87/289277187.db2.gz LBHUKCURDKITMJ-IBGZPJMESA-N 2 0 346.519 1.823 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292237976 289295924 /nfs/dbraw/zinc/29/59/24/289295924.db2.gz WLRGTCPIHKFRBI-ACJLOTCBSA-N 2 0 330.432 1.140 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C2([NH3+])CCCC2)[C@@H](c2ccccc2)C1 ZINC000378206011 290042998 /nfs/dbraw/zinc/04/29/98/290042998.db2.gz OQJXNTXDEPNOKP-QGZVFWFLSA-N 2 0 330.476 1.363 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418646927 304524800 /nfs/dbraw/zinc/52/48/00/304524800.db2.gz XOBSMTLFOFJULK-QGZVFWFLSA-N 2 0 325.416 1.102 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000261956284 297838970 /nfs/dbraw/zinc/83/89/70/297838970.db2.gz IVTYRQNXIWZQKU-HNNXBMFYSA-N 2 0 340.265 1.820 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)CC(C)C ZINC000419127857 304567519 /nfs/dbraw/zinc/56/75/19/304567519.db2.gz SVQTXWMBGYWTKM-PMPSAXMXSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H](C(=O)N1CCCC[C@H]1CNC(=O)CC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262774928 298024003 /nfs/dbraw/zinc/02/40/03/298024003.db2.gz KRBZEJMGDQVJQB-ZVZYQTTQSA-N 2 0 346.475 1.169 20 0 EDADRP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013594 298109381 /nfs/dbraw/zinc/10/93/81/298109381.db2.gz CMDSDEGUOZSSOU-OKZBNKHCSA-N 2 0 340.556 1.980 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000333376306 300722323 /nfs/dbraw/zinc/72/23/23/300722323.db2.gz NBORVDGUPXAEES-ZHALLVOQSA-N 2 0 331.460 1.605 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420299945 304746095 /nfs/dbraw/zinc/74/60/95/304746095.db2.gz BYDXNXDUTSTLLT-LJQANCHMSA-N 3 0 346.519 1.727 20 0 EDADRP Cn1nccc1[C@H]1[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC(=O)N1C ZINC000345003633 303095183 /nfs/dbraw/zinc/09/51/83/303095183.db2.gz WYGMMFNUPLGSKX-LDDOYCOJSA-N 2 0 331.464 1.298 20 0 EDADRP C[C@@H]([N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)(C)O ZINC000295136633 303177762 /nfs/dbraw/zinc/17/77/62/303177762.db2.gz KKHKUWBKUKHYEH-MRXNPFEDSA-N 2 0 347.503 1.990 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333548459 303358209 /nfs/dbraw/zinc/35/82/09/303358209.db2.gz OWNDYHLNAJJAJB-NRWDWGHESA-N 2 0 332.492 1.391 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000419660801 447328377 /nfs/dbraw/zinc/32/83/77/447328377.db2.gz CYZKUFVWDOLHFY-CVEARBPZSA-N 2 0 340.512 1.197 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419676521 447338961 /nfs/dbraw/zinc/33/89/61/447338961.db2.gz MQLQOQNNEGRWOZ-IAGOWNOFSA-N 2 0 346.475 1.039 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414882939 447341731 /nfs/dbraw/zinc/34/17/31/447341731.db2.gz SOXVCVRVNRNMPQ-XJKSGUPXSA-N 2 0 332.448 1.635 20 0 EDADRP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000423282339 304891044 /nfs/dbraw/zinc/89/10/44/304891044.db2.gz WLEBKUZUAXMWIV-KGLIPLIRSA-N 2 0 325.478 1.733 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)cn2)CC1 ZINC000423731472 304906685 /nfs/dbraw/zinc/90/66/85/304906685.db2.gz OJBVSKVPYZQFSX-UAGQMJEPSA-N 2 0 343.475 1.693 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[NH2+]CC1CC1 ZINC000423752801 304908283 /nfs/dbraw/zinc/90/82/83/304908283.db2.gz WNYQIMXPIOQWFB-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000424039338 304925910 /nfs/dbraw/zinc/92/59/10/304925910.db2.gz NPEGWNCTBWTRLV-CGTJXYLNSA-N 2 0 327.403 1.649 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000425482006 304965404 /nfs/dbraw/zinc/96/54/04/304965404.db2.gz SIKTZLFTJGZMBA-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000427151067 304985987 /nfs/dbraw/zinc/98/59/87/304985987.db2.gz BTZZYPUBNPOEDQ-GOSISDBHSA-N 2 0 335.492 1.574 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003537 305022221 /nfs/dbraw/zinc/02/22/21/305022221.db2.gz IQLBGUJCMKTFKB-VWQYPGANSA-N 2 0 339.524 1.119 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1)[NH+](C)C ZINC000429225866 305025899 /nfs/dbraw/zinc/02/58/99/305025899.db2.gz HYRDERTXVVJMMW-GOSISDBHSA-N 2 0 338.540 1.590 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CCc2nnnn2-c2ccccc2)CC1 ZINC000430588298 305057387 /nfs/dbraw/zinc/05/73/87/305057387.db2.gz CXQIKMKONDBKBS-UHFFFAOYSA-N 2 0 330.436 1.035 20 0 EDADRP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430627398 305059989 /nfs/dbraw/zinc/05/99/89/305059989.db2.gz NBVAZBCVANFYHB-JKSUJKDBSA-N 2 0 344.459 1.157 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC(=O)Nc2ccc(OC)cc2)CC1 ZINC000430967594 305071583 /nfs/dbraw/zinc/07/15/83/305071583.db2.gz UDOPTBYUOHJSQC-UHFFFAOYSA-N 2 0 334.420 1.275 20 0 EDADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2CNC(=O)CC[NH3+])CC1 ZINC000431036818 305073446 /nfs/dbraw/zinc/07/34/46/305073446.db2.gz YKYJDPWVRUYOHA-UHFFFAOYSA-N 2 0 344.381 1.422 20 0 EDADRP COc1cc(CCNC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1C ZINC000433142336 305101540 /nfs/dbraw/zinc/10/15/40/305101540.db2.gz CRQVZRKJNJQSAP-UHFFFAOYSA-N 2 0 333.476 1.866 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)CC1 ZINC000433148904 305101817 /nfs/dbraw/zinc/10/18/17/305101817.db2.gz SCOHJACBMRXSTQ-SFHVURJKSA-N 2 0 349.450 1.929 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(O)CCO[C@@H]2C)CC1 ZINC000433200367 305103057 /nfs/dbraw/zinc/10/30/57/305103057.db2.gz HPJLSUCLYTZJMN-VQIMIIECSA-N 2 0 333.476 1.458 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433341307 305106214 /nfs/dbraw/zinc/10/62/14/305106214.db2.gz RVBBOKMBUPVZJE-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000433452409 305109383 /nfs/dbraw/zinc/10/93/83/305109383.db2.gz GQJXEYPCRXVHDQ-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433458682 305109826 /nfs/dbraw/zinc/10/98/26/305109826.db2.gz IGWKKRMEIGODDN-INIZCTEOSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@H]1CCOC1 ZINC000433939209 305115210 /nfs/dbraw/zinc/11/52/10/305115210.db2.gz FMIGEKCLKNSOSA-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP O=C(CCOCC1CC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000434093001 305117719 /nfs/dbraw/zinc/11/77/19/305117719.db2.gz SSLVZVUXLYYXCO-UHFFFAOYSA-N 2 0 346.475 1.527 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000434670620 305126934 /nfs/dbraw/zinc/12/69/34/305126934.db2.gz DAVGENBAWMFMOE-ROUUACIJSA-N 2 0 344.503 1.798 20 0 EDADRP CC[NH+](CC)CC(=O)N(Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435565296 305142591 /nfs/dbraw/zinc/14/25/91/305142591.db2.gz GCVLIFACIAODLI-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP C[NH2+]CCCN1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000435876564 305148803 /nfs/dbraw/zinc/14/88/03/305148803.db2.gz JHUODFXJQIAFOI-UHFFFAOYSA-N 2 0 349.504 1.958 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436306963 305155775 /nfs/dbraw/zinc/15/57/75/305155775.db2.gz LSGSTJFOAIDXJZ-YLJYHZDGSA-N 2 0 349.519 1.775 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC[NH+]2CCCOCC2)C1 ZINC000436511862 305159367 /nfs/dbraw/zinc/15/93/67/305159367.db2.gz LQCAVIALAHSAMJ-MRXNPFEDSA-N 2 0 326.485 1.082 20 0 EDADRP O=C(NCC[NH+]1CCC2(CCCCC2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000442976145 305232476 /nfs/dbraw/zinc/23/24/76/305232476.db2.gz LKMMSUZVYAZTMW-GOSISDBHSA-N 2 0 348.535 1.539 20 0 EDADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443067446 305234377 /nfs/dbraw/zinc/23/43/77/305234377.db2.gz GQRQCBYRZOSFSW-STQMWFEESA-N 2 0 336.411 1.923 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]CC3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000446884505 305271316 /nfs/dbraw/zinc/27/13/16/305271316.db2.gz PJTDENQVVZQPSB-UHFFFAOYSA-N 2 0 344.507 1.192 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447928626 305289227 /nfs/dbraw/zinc/28/92/27/305289227.db2.gz HZLHLDDJXUUDKQ-KRWDZBQOSA-N 2 0 327.476 1.988 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000447957266 305289532 /nfs/dbraw/zinc/28/95/32/305289532.db2.gz XXFYARJJWYJUMK-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000449144122 305307876 /nfs/dbraw/zinc/30/78/76/305307876.db2.gz YICGQWYYGZZXLJ-GHTZIAJQSA-N 2 0 344.547 1.917 20 0 EDADRP C[C@@H]1CSC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449177520 305308888 /nfs/dbraw/zinc/30/88/88/305308888.db2.gz PWNASGQFWZWHHR-UKRRQHHQSA-N 2 0 327.538 1.954 20 0 EDADRP CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)[C@H]2C1 ZINC000425897267 447352960 /nfs/dbraw/zinc/35/29/60/447352960.db2.gz SNEYLGJABWMDMB-SZMVWBNQSA-N 2 0 346.475 1.878 20 0 EDADRP C[C@@H](CCc1cccn1C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524789444 305820037 /nfs/dbraw/zinc/82/00/37/305820037.db2.gz DZJMLNIBXNTBST-INIZCTEOSA-N 2 0 337.512 1.481 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000419705527 447361541 /nfs/dbraw/zinc/36/15/41/447361541.db2.gz ZWHPGBWCUPQLNS-HZPDHXFCSA-N 2 0 340.512 1.247 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527692199 305855953 /nfs/dbraw/zinc/85/59/53/305855953.db2.gz MAUNSMSVBQYXLD-AWEZNQCLSA-N 2 0 348.520 1.659 20 0 EDADRP CC1(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000529335386 305910003 /nfs/dbraw/zinc/91/00/03/305910003.db2.gz PTGYJCPGKZFHNM-MRXNPFEDSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000545176401 306081176 /nfs/dbraw/zinc/08/11/76/306081176.db2.gz KACVIRSDRVFRLY-DAYGRLMNSA-N 2 0 340.512 1.109 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)CC1 ZINC000554509709 306193857 /nfs/dbraw/zinc/19/38/57/306193857.db2.gz HGEYKDXRNICKFA-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000556816872 306218361 /nfs/dbraw/zinc/21/83/61/306218361.db2.gz WLBNLSIJKYPFJK-UHFFFAOYSA-N 2 0 332.448 1.135 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000556942952 306221502 /nfs/dbraw/zinc/22/15/02/306221502.db2.gz BHKPRRZHBLGTSL-CYBMUJFWSA-N 2 0 332.448 1.117 20 0 EDADRP Cc1ccc2ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(O)c2c1 ZINC000557504450 306228652 /nfs/dbraw/zinc/22/86/52/306228652.db2.gz VINBXKMFSYAWGK-UHFFFAOYSA-N 2 0 344.459 1.402 20 0 EDADRP O=C(/C=C/[C@@H]1CCOC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000493694707 447370667 /nfs/dbraw/zinc/37/06/67/447370667.db2.gz SHDSNDZZIGVIOP-RCAFFNEUSA-N 2 0 344.459 1.303 20 0 EDADRP COC(=O)C1CCC([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000426013716 447379611 /nfs/dbraw/zinc/37/96/11/447379611.db2.gz ANEJFGXOIPXIMJ-GPANFISMSA-N 2 0 341.496 1.400 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000414973629 447379949 /nfs/dbraw/zinc/37/99/49/447379949.db2.gz KPAWZGRFWRKSRD-RQJABVFESA-N 2 0 333.398 1.370 20 0 EDADRP CC(C)(CO)[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000415110900 447390154 /nfs/dbraw/zinc/39/01/54/447390154.db2.gz TUDWGVSXZIEOCT-YJBOKZPZSA-N 2 0 333.476 1.533 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000663410134 453791630 /nfs/dbraw/zinc/79/16/30/453791630.db2.gz XIZPFMQPGNUCKP-UHFFFAOYSA-N 2 0 341.544 1.478 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419794952 447416186 /nfs/dbraw/zinc/41/61/86/447416186.db2.gz IFJFODONYKMGJE-OAHLLOKOSA-N 2 0 328.501 1.053 20 0 EDADRP CC[C@@H](C(=O)NCC[NH+]1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000456580554 447416350 /nfs/dbraw/zinc/41/63/50/447416350.db2.gz IWKGGZCGTXRUNY-SFHVURJKSA-N 2 0 333.476 1.470 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422244087 447421108 /nfs/dbraw/zinc/42/11/08/447421108.db2.gz JOBWDHJRKGSWEK-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000494017298 447423417 /nfs/dbraw/zinc/42/34/17/447423417.db2.gz MCMDSMULLZKHAK-NEWSRXKRSA-N 2 0 345.487 1.875 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn(-c2ccccc2)c1 ZINC000103211244 441176677 /nfs/dbraw/zinc/17/66/77/441176677.db2.gz ZXPUGMMNJBKBRC-UHFFFAOYSA-N 2 0 329.448 1.438 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(Br)cn1 ZINC000103213079 441178296 /nfs/dbraw/zinc/17/82/96/441178296.db2.gz PZJOWCRTCOOFKW-UHFFFAOYSA-N 2 0 343.269 1.410 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000105125242 441235700 /nfs/dbraw/zinc/23/57/00/441235700.db2.gz XWBIPDKPAKHDIQ-MRXNPFEDSA-N 2 0 341.544 1.384 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073034073 441287181 /nfs/dbraw/zinc/28/71/81/441287181.db2.gz GURFYCUISUEOLP-HKUYNNGSSA-N 2 0 344.503 1.576 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000073593693 441329213 /nfs/dbraw/zinc/32/92/13/441329213.db2.gz FHSSLDZSMLMNSL-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081724664 441304964 /nfs/dbraw/zinc/30/49/64/441304964.db2.gz KQXQBHVQEXIZKX-ROUUACIJSA-N 3 0 338.540 1.593 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000106547570 441354541 /nfs/dbraw/zinc/35/45/41/441354541.db2.gz YGDPNWDLJGAZBL-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP CCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC1CC1 ZINC000052891100 441484044 /nfs/dbraw/zinc/48/40/44/441484044.db2.gz HVLKJCUSYLWOIP-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000108541083 441461647 /nfs/dbraw/zinc/46/16/47/441461647.db2.gz FJRRXXYXNOKPLU-QZTJIDSGSA-N 2 0 332.492 1.800 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(OCC(C)C)CC2)CC1 ZINC000054324400 441571914 /nfs/dbraw/zinc/57/19/14/441571914.db2.gz FEIFFPSDMLYPPO-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H](C1CC1)N(C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000066900533 441581560 /nfs/dbraw/zinc/58/15/60/441581560.db2.gz VCSRTDNMUHIUDQ-HNNXBMFYSA-N 2 0 348.557 1.167 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000114727590 441679342 /nfs/dbraw/zinc/67/93/42/441679342.db2.gz LCYPZWLMXDIWIP-UHFFFAOYSA-N 2 0 333.476 1.601 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]([C@@H](C)C2CC2)C2CC2)C1 ZINC000042123552 441707933 /nfs/dbraw/zinc/70/79/33/441707933.db2.gz XADDLJDHSBDQDE-YJBOKZPZSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@](C)(C[NH3+])C(C)C)CC2)c1 ZINC000158251944 441711686 /nfs/dbraw/zinc/71/16/86/441711686.db2.gz ICWMKQJSOGHLSE-HXUWFJFHSA-N 2 0 346.519 1.997 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000140186630 441834403 /nfs/dbraw/zinc/83/44/03/441834403.db2.gz IQDBXAVGAGNUHH-UHFFFAOYSA-N 2 0 328.501 1.515 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC1(O)CC[NH+](C)CC1)C(C)(C)C ZINC000077832608 441873965 /nfs/dbraw/zinc/87/39/65/441873965.db2.gz YTNLNSCDGJEBSC-CQSZACIVSA-N 2 0 328.501 1.109 20 0 EDADRP COC(=O)c1cccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000069156644 441901153 /nfs/dbraw/zinc/90/11/53/441901153.db2.gz SWADSSWGRYRAIZ-UHFFFAOYSA-N 2 0 349.475 1.819 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000118106261 441887425 /nfs/dbraw/zinc/88/74/25/441887425.db2.gz AEISUTGPSQNVDH-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CCOC(C)(C)C2)CC[N@@H+]1C ZINC000174549138 441937178 /nfs/dbraw/zinc/93/71/78/441937178.db2.gz MTWCAAWIAJJOEU-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)C[C@H](C)O1 ZINC000078501187 441938334 /nfs/dbraw/zinc/93/83/34/441938334.db2.gz FBBUDNAGMLQQDG-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](C(=O)NCc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174715798 441957970 /nfs/dbraw/zinc/95/79/70/441957970.db2.gz YMIDCMSEMILFEF-KRWDZBQOSA-N 2 0 332.492 1.261 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(CC(F)F)c1 ZINC000120177226 442023222 /nfs/dbraw/zinc/02/32/22/442023222.db2.gz CUCHMCZWYGUCIR-UHFFFAOYSA-N 2 0 332.399 1.105 20 0 EDADRP CCOCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120235499 442034429 /nfs/dbraw/zinc/03/44/29/442034429.db2.gz SNQPFOUNSSHLQO-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000162682035 442114219 /nfs/dbraw/zinc/11/42/19/442114219.db2.gz AACBASGKFQHLSI-UKBAYJJMSA-N 2 0 345.487 1.780 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151790991 442120517 /nfs/dbraw/zinc/12/05/17/442120517.db2.gz XFKGLNKONOVTKR-KRWDZBQOSA-N 3 0 349.519 1.982 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3=CCCOC3)c2)C1 ZINC000127159966 442176790 /nfs/dbraw/zinc/17/67/90/442176790.db2.gz NJYLFBKUNSJQAE-LJQANCHMSA-N 2 0 343.471 1.820 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@H]2C)C1 ZINC000176023869 442162780 /nfs/dbraw/zinc/16/27/80/442162780.db2.gz AOJRENWNFDJHPO-BRSBDYLESA-N 2 0 339.524 1.874 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000166762342 442218441 /nfs/dbraw/zinc/21/84/41/442218441.db2.gz DVJAVCYAHLZIQK-OAHLLOKOSA-N 2 0 332.448 1.530 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)C[N@H+](CC)C3CC3)CC2)CC1 ZINC000152525993 442223076 /nfs/dbraw/zinc/22/30/76/442223076.db2.gz SPKZDYBFPVNVKU-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)NCCN2CCOCC2(C)C)[C@@H](C)C1 ZINC000176583893 442236883 /nfs/dbraw/zinc/23/68/83/442236883.db2.gz QQGRVHNCCGEDTG-GJZGRUSLSA-N 2 0 326.485 1.125 20 0 EDADRP C[C@H](C(=O)NCc1cccc(Cn2ccnc2)c1)N1CCSCC1 ZINC000131021376 442362370 /nfs/dbraw/zinc/36/23/70/442362370.db2.gz BFLDCQIYMHDXNR-OAHLLOKOSA-N 2 0 344.484 1.985 20 0 EDADRP CC[C@]1(C(=O)N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000134584101 442497663 /nfs/dbraw/zinc/49/76/63/442497663.db2.gz UCIMCUOZQRNJQB-JTDSTZFVSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCC[NH2+]1 ZINC000134586023 442499199 /nfs/dbraw/zinc/49/91/99/442499199.db2.gz RIGXLCYRXQFHKJ-SCTDSRPQSA-N 2 0 336.524 1.536 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000178728310 442465093 /nfs/dbraw/zinc/46/50/93/442465093.db2.gz QRFLHMWIPPMPGX-GOSISDBHSA-N 2 0 332.492 1.119 20 0 EDADRP c1csc(-c2noc(CN3CC[NH+](CC4CC[NH2+]CC4)CC3)n2)c1 ZINC000178978454 442544117 /nfs/dbraw/zinc/54/41/17/442544117.db2.gz CILLSSPZQSWLQZ-UHFFFAOYSA-N 2 0 347.488 1.915 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000172807780 442546952 /nfs/dbraw/zinc/54/69/52/442546952.db2.gz HXCJNTBCOYYWJY-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)N(C)c3ccccc3)C2)CC1 ZINC000135059460 442551651 /nfs/dbraw/zinc/55/16/51/442551651.db2.gz KUIQXLLEQZGEJC-LJQANCHMSA-N 2 0 344.503 1.751 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000187138486 442654939 /nfs/dbraw/zinc/65/49/39/442654939.db2.gz PUAPZJJDMBDWCO-MRXNPFEDSA-N 2 0 348.491 1.047 20 0 EDADRP CCC[C@H]([NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccn1 ZINC000181029561 442676033 /nfs/dbraw/zinc/67/60/33/442676033.db2.gz AISRHHHBPHSVOZ-WMZOPIPTSA-N 2 0 346.475 1.446 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1(C)C ZINC000188151790 442717333 /nfs/dbraw/zinc/71/73/33/442717333.db2.gz BTQNTBQJVYPPKT-QFBILLFUSA-N 2 0 337.508 1.996 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NCC(=O)OC(C)(C)C ZINC000181919382 442721824 /nfs/dbraw/zinc/72/18/24/442721824.db2.gz GICFCUFLQOMUNQ-AWEZNQCLSA-N 2 0 327.469 1.251 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN(C(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000181716795 442712085 /nfs/dbraw/zinc/71/20/85/442712085.db2.gz RZAXXZDRLGQDLS-IYBDPMFKSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000182347767 442759181 /nfs/dbraw/zinc/75/91/81/442759181.db2.gz OGUHHIBBWOGXGB-SJORKVTESA-N 2 0 338.496 1.225 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+](CCOC)CC2)[C@@H](C)C1 ZINC000246395865 442778904 /nfs/dbraw/zinc/77/89/04/442778904.db2.gz JPEBXSWDIRIZDJ-RDJZCZTQSA-N 2 0 340.512 1.469 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000247079960 442835190 /nfs/dbraw/zinc/83/51/90/442835190.db2.gz OTWJCHQXWDATDD-GDBMZVCRSA-N 2 0 331.526 1.511 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188993637 442856774 /nfs/dbraw/zinc/85/67/74/442856774.db2.gz FQLLZDQEGXIIOQ-DOTOQJQBSA-N 2 0 334.439 1.847 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)/C=C/C[NH+](C)C)[C@@H](c2ccccc2)C1 ZINC000265682667 442878373 /nfs/dbraw/zinc/87/83/73/442878373.db2.gz WGLXMOKNPZYWPS-BQHJZSHBSA-N 2 0 344.503 1.599 20 0 EDADRP C[C@@H](O)[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000183222275 442907276 /nfs/dbraw/zinc/90/72/76/442907276.db2.gz UPQGEPIKIIRKJE-APWZRJJASA-N 2 0 345.487 1.601 20 0 EDADRP Cc1nn(C)c(C[NH2+]CCCN(C)CC[NH+](C)C)c1Br ZINC000623087649 450398074 /nfs/dbraw/zinc/39/80/74/450398074.db2.gz AUAZTSCPLADWAN-UHFFFAOYSA-N 2 0 346.317 1.464 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H]1[NH+](C)C ZINC000268321424 442946513 /nfs/dbraw/zinc/94/65/13/442946513.db2.gz BZLLGNCJIIXRJL-MAUKXSAKSA-N 2 0 345.491 1.638 20 0 EDADRP O=C(NCCN1CCCOCC1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000189443039 442954625 /nfs/dbraw/zinc/95/46/25/442954625.db2.gz WZLRWAPAVWKTOH-LJQANCHMSA-N 2 0 345.487 1.880 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H](C)O1 ZINC000237402506 443170658 /nfs/dbraw/zinc/17/06/58/443170658.db2.gz VIVOVZUASQCFHP-GPMSIDNRSA-N 2 0 345.487 1.879 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1C ZINC000185573673 443221538 /nfs/dbraw/zinc/22/15/38/443221538.db2.gz HTWCDGXIDXFJOB-LSDHHAIUSA-N 2 0 340.512 1.346 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccccc1 ZINC000325173383 318944664 /nfs/dbraw/zinc/94/46/64/318944664.db2.gz WLNSESBHTZMNMK-MRXNPFEDSA-N 2 0 330.436 1.050 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262738538 443209261 /nfs/dbraw/zinc/20/92/61/443209261.db2.gz CJYATBIJQRGQHH-FUHWJXTLSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000343573846 318991041 /nfs/dbraw/zinc/99/10/41/318991041.db2.gz VXFLPPJYKIUUDL-RYRKJORJSA-N 2 0 335.496 1.113 20 0 EDADRP c1cn2c(n1)C[C@H](c1nc(CC3=[NH+][C@H]4CCCC[C@@H]4N3)no1)CC2 ZINC000350197196 319043420 /nfs/dbraw/zinc/04/34/20/319043420.db2.gz MPKRRRBYLOKTJS-AGIUHOORSA-N 2 0 326.404 1.852 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000359996953 319115430 /nfs/dbraw/zinc/11/54/30/319115430.db2.gz SNDFSFNKZAOFCS-CZUORRHYSA-N 2 0 334.439 1.825 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000411783167 319203343 /nfs/dbraw/zinc/20/33/43/319203343.db2.gz FKLMSGXPQYILFV-AEFFLSMTSA-N 2 0 327.513 1.466 20 0 EDADRP C[C@@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)[N@H+](C)C1CC1 ZINC000411988977 319219524 /nfs/dbraw/zinc/21/95/24/319219524.db2.gz WVWHQQMVLJTPQL-BBRMVZONSA-N 2 0 325.522 1.803 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000269261890 443255834 /nfs/dbraw/zinc/25/58/34/443255834.db2.gz WIFOHNGOKSKMMN-LSDHHAIUSA-N 2 0 337.489 1.455 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1CC[N@H+](CC)C1 ZINC000413859953 319294961 /nfs/dbraw/zinc/29/49/61/319294961.db2.gz NSKXOZLOSNPVLH-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414188394 319318284 /nfs/dbraw/zinc/31/82/84/319318284.db2.gz QQKBATOEXHMFCG-GJZGRUSLSA-N 2 0 339.505 1.977 20 0 EDADRP COc1cccc(N2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414663530 319338441 /nfs/dbraw/zinc/33/84/41/319338441.db2.gz BFKKAJOBMWVDCK-INIZCTEOSA-N 2 0 346.475 1.015 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1 ZINC000414664774 319338478 /nfs/dbraw/zinc/33/84/78/319338478.db2.gz UMENVHAHXOPSLB-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671882 319339493 /nfs/dbraw/zinc/33/94/93/319339493.db2.gz GWUBIFZDIQJVIY-WBVHZDCISA-N 2 0 333.501 1.974 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414683853 319341625 /nfs/dbraw/zinc/34/16/25/319341625.db2.gz CBXVSNOXRQSYFM-FUHWJXTLSA-N 2 0 345.487 1.770 20 0 EDADRP COc1cccc([C@H]2CN(C[C@H]3CCCN(C(=O)C[NH3+])C3)CCO2)c1 ZINC000414690628 319342726 /nfs/dbraw/zinc/34/27/26/319342726.db2.gz HWYASAGPAJBNQJ-CRAIPNDOSA-N 2 0 347.459 1.266 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000415009560 319345457 /nfs/dbraw/zinc/34/54/57/319345457.db2.gz FUDHKCUMCFDGMC-KGLIPLIRSA-N 2 0 325.478 1.473 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415237137 319355267 /nfs/dbraw/zinc/35/52/67/319355267.db2.gz HTKWVUHDFPVKCG-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415336808 319361234 /nfs/dbraw/zinc/36/12/34/319361234.db2.gz WLGHRBZZAMGHLC-KRWDZBQOSA-N 2 0 344.459 1.132 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415741193 319369109 /nfs/dbraw/zinc/36/91/09/319369109.db2.gz KKWODHVSPCOKTR-CXAGYDPISA-N 2 0 346.475 1.808 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000415938271 319383662 /nfs/dbraw/zinc/38/36/62/319383662.db2.gz YREGHCZMFCXQNE-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000415996182 319388375 /nfs/dbraw/zinc/38/83/75/319388375.db2.gz OMPVPDUECBEMEB-KBPBESRZSA-N 2 0 344.381 1.840 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266841716 443264044 /nfs/dbraw/zinc/26/40/44/443264044.db2.gz GXVFPNGQYVLNKI-AWEZNQCLSA-N 2 0 327.494 1.929 20 0 EDADRP COCC1(CNC(=O)NCC[NH+](C(C)C)C(C)C)CC[NH2+]CC1 ZINC000416805055 319461342 /nfs/dbraw/zinc/46/13/42/319461342.db2.gz KINHKASKZXMNJS-UHFFFAOYSA-N 2 0 328.501 1.421 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N(C)C2CC([NH3+])C2)[NH+]2CCCC2)c1 ZINC000416839169 319465720 /nfs/dbraw/zinc/46/57/20/319465720.db2.gz DBNJQGZJFQNJHL-LEOMRAHMSA-N 2 0 346.475 1.963 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000416906099 319471477 /nfs/dbraw/zinc/47/14/77/319471477.db2.gz RYMRKJJLXBKGRA-ROUUACIJSA-N 2 0 346.475 1.052 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000417332494 319492657 /nfs/dbraw/zinc/49/26/57/319492657.db2.gz XOQUSEHSTLNEKR-UHFFFAOYSA-N 2 0 348.495 1.150 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000417369513 319494901 /nfs/dbraw/zinc/49/49/01/319494901.db2.gz SGHWOXHDLMODEB-RDJZCZTQSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000264577593 443333439 /nfs/dbraw/zinc/33/34/39/443333439.db2.gz ZFWNTNQSLWMELO-QFBILLFUSA-N 2 0 345.487 1.817 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418588256 319506990 /nfs/dbraw/zinc/50/69/90/319506990.db2.gz HPSNZGWDTALOMI-RHSMWYFYSA-N 2 0 336.455 1.897 20 0 EDADRP C[C@H](O)[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000272490579 443337729 /nfs/dbraw/zinc/33/77/29/443337729.db2.gz CCGRYVICRJNSGO-DKKFBQAASA-N 2 0 345.487 1.468 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418684747 319511710 /nfs/dbraw/zinc/51/17/10/319511710.db2.gz HKHRTPDVRDGAEN-IKGGRYGDSA-N 2 0 339.528 1.314 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]C2)c1 ZINC000419273363 319579505 /nfs/dbraw/zinc/57/95/05/319579505.db2.gz XAWLXIQMAUCEPX-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)CC(N)=O)cc1OC ZINC000267293282 443408149 /nfs/dbraw/zinc/40/81/49/443408149.db2.gz YKUZDIMONZKQNE-CQSZACIVSA-N 2 0 337.464 1.769 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000283074678 443514857 /nfs/dbraw/zinc/51/48/57/443514857.db2.gz KHNNYSGGHQKZQC-SFHVURJKSA-N 2 0 330.476 1.727 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423419718 319773697 /nfs/dbraw/zinc/77/36/97/319773697.db2.gz AMZFCSAAWCQTHQ-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)COC1C[NH2+]C1 ZINC000423735152 319808535 /nfs/dbraw/zinc/80/85/35/319808535.db2.gz AFEWUYNRRBEBDC-UHFFFAOYSA-N 2 0 325.840 1.219 20 0 EDADRP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000423762560 319812456 /nfs/dbraw/zinc/81/24/56/319812456.db2.gz SRUCRCMZWHNDQH-IRXDYDNUSA-N 2 0 332.492 1.998 20 0 EDADRP C[N@H+](CC1OCCO1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000272291184 443581912 /nfs/dbraw/zinc/58/19/12/443581912.db2.gz PEEVMJOBDDSPHT-SFHVURJKSA-N 2 0 334.460 1.737 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)CCC[NH+]2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000433163801 319973541 /nfs/dbraw/zinc/97/35/41/319973541.db2.gz PNVJKHCMOYCOCS-LJQANCHMSA-N 3 0 346.519 1.917 20 0 EDADRP CC1(C)C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000279943544 443646890 /nfs/dbraw/zinc/64/68/90/443646890.db2.gz XKQPNCMWCAQKLE-GOSISDBHSA-N 2 0 345.487 1.601 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000440272863 320067955 /nfs/dbraw/zinc/06/79/55/320067955.db2.gz QACQHGYDDRZOMP-WMZOPIPTSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000441095405 320088614 /nfs/dbraw/zinc/08/86/14/320088614.db2.gz VAQOYCOGLGIODB-GOSISDBHSA-N 2 0 341.540 1.653 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000447444327 320142654 /nfs/dbraw/zinc/14/26/54/320142654.db2.gz WCQSSYNZZGRHIF-LJQANCHMSA-N 2 0 333.476 1.866 20 0 EDADRP COc1nccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000449232592 320180655 /nfs/dbraw/zinc/18/06/55/320180655.db2.gz UZISJFFKDZEAKI-UHFFFAOYSA-N 2 0 334.464 1.810 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449364661 320184694 /nfs/dbraw/zinc/18/46/94/320184694.db2.gz OAABTAVFFZWPNE-ZACQAIPSSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000453403876 320263493 /nfs/dbraw/zinc/26/34/93/320263493.db2.gz OZMLEFLXXKBTKV-ZDUSSCGKSA-N 2 0 325.478 1.859 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)CC[NH+](C)CC1 ZINC000454965487 320297682 /nfs/dbraw/zinc/29/76/82/320297682.db2.gz DUIVVANQHVBXKM-UONOGXRCSA-N 2 0 326.510 1.159 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000457702132 320332320 /nfs/dbraw/zinc/33/23/20/320332320.db2.gz BJVVTRUBCUIESN-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000458596595 320337810 /nfs/dbraw/zinc/33/78/10/320337810.db2.gz OFPGSSHPCXRLOD-QGZVFWFLSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCCOCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000471647402 320352993 /nfs/dbraw/zinc/35/29/93/320352993.db2.gz GVUFNHKQCSCHTM-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000497128421 320419381 /nfs/dbraw/zinc/41/93/81/320419381.db2.gz JYOQHTFNVJOXLJ-HNNXBMFYSA-N 2 0 341.496 1.992 20 0 EDADRP CC(C)(C)OC(=O)NCCC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000497128424 320419469 /nfs/dbraw/zinc/41/94/69/320419469.db2.gz JYOQHTFNVJOXLJ-OAHLLOKOSA-N 2 0 341.496 1.992 20 0 EDADRP C[C@H]1Oc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000519044032 320462526 /nfs/dbraw/zinc/46/25/26/320462526.db2.gz XOZKSKGQALOFRK-PBHICJAKSA-N 2 0 334.464 1.643 20 0 EDADRP CO[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000525453203 320490617 /nfs/dbraw/zinc/49/06/17/320490617.db2.gz SFINUNSYIIDXHA-KRWDZBQOSA-N 2 0 336.480 1.509 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000288175639 443794516 /nfs/dbraw/zinc/79/45/16/443794516.db2.gz MUGBCLYNRUDOFZ-RHSMWYFYSA-N 2 0 337.439 1.513 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)CC2)c1 ZINC000529366021 320578014 /nfs/dbraw/zinc/57/80/14/320578014.db2.gz LPOZSGXHBSMIOY-OAHLLOKOSA-N 2 0 345.447 1.206 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2ccc(F)cc21 ZINC000531357967 320656714 /nfs/dbraw/zinc/65/67/14/320656714.db2.gz XGEXLQXZOSUVGO-UHFFFAOYSA-N 2 0 348.422 1.645 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000276981410 443883571 /nfs/dbraw/zinc/88/35/71/443883571.db2.gz AELBKPMAAJIVGD-IZZQQSIFSA-N 2 0 345.487 1.565 20 0 EDADRP O=C(CC[N@H+]1CCC[C@@H](CO)CC1)N1CCN(c2ccccn2)CC1 ZINC000292980170 443894428 /nfs/dbraw/zinc/89/44/28/443894428.db2.gz BGOAIPRWJNANQX-QGZVFWFLSA-N 2 0 346.475 1.215 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000298905427 443898790 /nfs/dbraw/zinc/89/87/90/443898790.db2.gz BWGWYQIMHQFCDS-UHFFFAOYSA-N 2 0 331.464 1.393 20 0 EDADRP C[C@H]1C[NH+](CCCC[NH2+]C2CCN(c3cnccn3)CC2)C[C@H](C)O1 ZINC000536858431 320732174 /nfs/dbraw/zinc/73/21/74/320732174.db2.gz PKXMZCYZBPDKDH-IRXDYDNUSA-N 2 0 347.507 1.924 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@H]3CCCN(C)C3=O)CC2)C[C@@H](C)O1 ZINC000540907944 320765176 /nfs/dbraw/zinc/76/51/76/320765176.db2.gz MRZSCSJQHPNEGS-NUJGCVRESA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H](C(=O)NCCN1CC[NH+](C)C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000281891000 444032844 /nfs/dbraw/zinc/03/28/44/444032844.db2.gz YEEBMHKIIGNXOQ-KRWDZBQOSA-N 2 0 346.519 1.649 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)[NH+](C)C ZINC000556926208 320997330 /nfs/dbraw/zinc/99/73/30/320997330.db2.gz KNBOPHLTCOAYBY-OAHLLOKOSA-N 2 0 346.475 1.363 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000561188117 321035974 /nfs/dbraw/zinc/03/59/74/321035974.db2.gz IPWQHECRZBSDRP-NXHRZFHOSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000562819885 321079030 /nfs/dbraw/zinc/07/90/30/321079030.db2.gz ZQGNVZYOKUZPKJ-ILXVDBEPSA-N 2 0 348.466 1.898 20 0 EDADRP Cc1nc2n(n1)C[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)CC2 ZINC000562960766 321084071 /nfs/dbraw/zinc/08/40/71/321084071.db2.gz YJHKXYKNJYLPKD-ALKREAHSSA-N 2 0 339.443 1.747 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](N)c2c(F)cccc2F)CC1 ZINC000564911362 321156171 /nfs/dbraw/zinc/15/61/71/321156171.db2.gz WYGFBOPWOVQQOG-INIZCTEOSA-N 2 0 340.418 1.108 20 0 EDADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F ZINC000564973872 321162288 /nfs/dbraw/zinc/16/22/88/321162288.db2.gz AEIDDAOQIUPZBR-HUUCEWRRSA-N 2 0 332.366 1.656 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000565041616 321166030 /nfs/dbraw/zinc/16/60/30/321166030.db2.gz WLSHIUZXCYNXFG-GOSISDBHSA-N 2 0 330.476 1.016 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000565998660 321209289 /nfs/dbraw/zinc/20/92/89/321209289.db2.gz HPAYIZCHZCTNEA-LJQANCHMSA-N 2 0 346.519 1.823 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567467631 321242479 /nfs/dbraw/zinc/24/24/79/321242479.db2.gz DWORSJDHVFOQFD-AEFFLSMTSA-N 2 0 330.476 1.313 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000570618356 321350435 /nfs/dbraw/zinc/35/04/35/321350435.db2.gz GZMOWDFPIQVLTE-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP COc1cccc([C@H](C)N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000285854390 444129753 /nfs/dbraw/zinc/12/97/53/444129753.db2.gz XYYVIBIPNWWWPY-RDJZCZTQSA-N 2 0 347.459 1.279 20 0 EDADRP COCCOc1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000289428224 444140044 /nfs/dbraw/zinc/14/00/44/444140044.db2.gz KHHKGIGTVLLVDV-UHFFFAOYSA-N 2 0 335.492 1.781 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000574088848 321469150 /nfs/dbraw/zinc/46/91/50/321469150.db2.gz JFRJBAYGVKYYIT-SFHVURJKSA-N 2 0 330.476 1.192 20 0 EDADRP CC(CC[NH+]1CCc2n[nH]cc2C1)CC[N@@H+]1CCc2n[nH]cc2C1 ZINC000299733264 444126921 /nfs/dbraw/zinc/12/69/21/444126921.db2.gz YKJNDKZCYZDZNI-UHFFFAOYSA-N 2 0 328.464 1.966 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000296806756 444255911 /nfs/dbraw/zinc/25/59/11/444255911.db2.gz FDVVQIVGEMLSQL-UHFFFAOYSA-N 2 0 331.460 1.469 20 0 EDADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303273731 444236060 /nfs/dbraw/zinc/23/60/60/444236060.db2.gz KIGOPZQHKBVOJR-SJORKVTESA-N 2 0 341.540 1.904 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C[C@@H](C)O)C2CCCCC2)CC1 ZINC000303973438 444238315 /nfs/dbraw/zinc/23/83/15/444238315.db2.gz GWLAFWFDCKLKJN-OAHLLOKOSA-N 2 0 325.497 1.602 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)[nH]c1C ZINC000296580163 444240240 /nfs/dbraw/zinc/24/02/40/444240240.db2.gz WTXZXRQYFILSLF-UHFFFAOYSA-N 2 0 336.480 1.615 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)N1CC[NH+](C)CC1 ZINC000323687046 444345253 /nfs/dbraw/zinc/34/52/53/444345253.db2.gz BACBIKBSIDTKSC-KKUMJFAQSA-N 2 0 337.430 1.958 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000324696339 444356975 /nfs/dbraw/zinc/35/69/75/444356975.db2.gz WAXHGYRIQAZVKI-ROUUACIJSA-N 2 0 332.492 1.465 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@@H]1C ZINC000337721615 444372925 /nfs/dbraw/zinc/37/29/25/444372925.db2.gz PRBZDVDDFDYAQO-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP CC[C@@H](C)[C@H](NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1)C(=O)OC ZINC000320673737 444331716 /nfs/dbraw/zinc/33/17/16/444331716.db2.gz LSSNQHAFUBXYAL-CJNGLKHVSA-N 2 0 327.469 1.012 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CN[C@@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340523607 444424022 /nfs/dbraw/zinc/42/40/22/444424022.db2.gz GRSSHCCLRBLDCN-NVXWUHKLSA-N 2 0 335.427 1.980 20 0 EDADRP CN1CCO[C@@H](C(=O)N2CCC(Cc3nc4ccccc4[nH]3)CC2)C1 ZINC000329110657 444474837 /nfs/dbraw/zinc/47/48/37/444474837.db2.gz QLUFAXAMZVZPRU-QGZVFWFLSA-N 2 0 342.443 1.675 20 0 EDADRP O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579567859 321948243 /nfs/dbraw/zinc/94/82/43/321948243.db2.gz YGZYXBGZROHMNA-UHFFFAOYSA-N 2 0 344.459 1.263 20 0 EDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000340684257 444479599 /nfs/dbraw/zinc/47/95/99/444479599.db2.gz WRFMRKPSKKLOKI-RDJZCZTQSA-N 2 0 325.497 1.759 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000580785614 322095989 /nfs/dbraw/zinc/09/59/89/322095989.db2.gz HTVHPJBNYMULTH-CQSZACIVSA-N 2 0 342.447 1.192 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000580962087 322118164 /nfs/dbraw/zinc/11/81/64/322118164.db2.gz MIRHSPDJYFUPCL-SWLSCSKDSA-N 2 0 332.448 1.957 20 0 EDADRP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCCc3c1cnn3-c1ncccn1)CC2 ZINC000581108051 322135526 /nfs/dbraw/zinc/13/55/26/322135526.db2.gz XOGHCQSJKMXOTK-JSGCOSHPSA-N 2 0 335.415 1.910 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000581248073 322154740 /nfs/dbraw/zinc/15/47/40/322154740.db2.gz LBJSNMWSIZLZPC-ZWKOTPCHSA-N 2 0 337.508 1.770 20 0 EDADRP COc1ccc([C@H](C)[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1OC ZINC000581997045 322242271 /nfs/dbraw/zinc/24/22/71/322242271.db2.gz KBRMKLZUJIJYCX-KGLIPLIRSA-N 2 0 335.448 1.217 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1)Cc1ccccc1 ZINC000340856077 444545313 /nfs/dbraw/zinc/54/53/13/444545313.db2.gz CNBVLNMAHHXEFV-MOPGFXCFSA-N 2 0 342.487 1.815 20 0 EDADRP CCC[NH+](C)CC(=O)NC1CCC(NC(=O)C[N@@H+](C)CCC)CC1 ZINC000338268858 444599908 /nfs/dbraw/zinc/59/99/08/444599908.db2.gz QWEOKRJEAZUNNN-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000333580278 444682174 /nfs/dbraw/zinc/68/21/74/444682174.db2.gz UBRWRNSCYNWXDW-DLBZAZTESA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000341187156 444716887 /nfs/dbraw/zinc/71/68/87/444716887.db2.gz CGNCYVIZQDBDQF-LSDHHAIUSA-N 2 0 326.485 1.221 20 0 EDADRP CCn1nccc1CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000338564225 444749065 /nfs/dbraw/zinc/74/90/65/444749065.db2.gz HGRXXDKBDDLCHA-UHFFFAOYSA-N 2 0 333.524 1.936 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CN(C)C[C@@H]2C)c1 ZINC000344050150 444750950 /nfs/dbraw/zinc/75/09/50/444750950.db2.gz BJYYPXWUGLKARR-QFBILLFUSA-N 2 0 335.492 1.683 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000342717555 444831908 /nfs/dbraw/zinc/83/19/08/444831908.db2.gz VYMPQUYIYZJIPS-OAHLLOKOSA-N 2 0 327.469 1.237 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000344219670 444845703 /nfs/dbraw/zinc/84/57/03/444845703.db2.gz ZJAKKRNIIZIOEU-SJORKVTESA-N 3 0 326.529 1.449 20 0 EDADRP C[C@@H]1CN(c2cc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)ncn2)C[C@H](C)[NH+]1C ZINC000338785944 444851255 /nfs/dbraw/zinc/85/12/55/444851255.db2.gz CBSFWBDHVUCTTQ-GEEKYZPCSA-N 2 0 332.496 1.534 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000342765441 444855978 /nfs/dbraw/zinc/85/59/78/444855978.db2.gz OJXREYWWHSFMHH-HNNXBMFYSA-N 2 0 325.453 1.038 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)CCOC)CC1 ZINC000344340239 444905819 /nfs/dbraw/zinc/90/58/19/444905819.db2.gz LVSDRTBLDXJRQB-IBGZPJMESA-N 2 0 335.492 1.706 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)c(F)c2)C[C@H]1[NH+](C)C ZINC000342951829 444962376 /nfs/dbraw/zinc/96/23/76/444962376.db2.gz SKOJUJDGWQLKTG-SUMWQHHRSA-N 2 0 336.455 1.979 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000341888025 445054407 /nfs/dbraw/zinc/05/44/07/445054407.db2.gz OMYRXEHDVHBJIK-RYRKJORJSA-N 2 0 335.492 1.430 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000344616500 445088133 /nfs/dbraw/zinc/08/81/33/445088133.db2.gz NKEGVLJSGXLFPZ-DLBZAZTESA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NCC[NH+]1CCC1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000337441237 445081924 /nfs/dbraw/zinc/08/19/24/445081924.db2.gz YKZWXVLKKREKEG-UHFFFAOYSA-N 2 0 330.476 1.904 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@H](OC)C[NH+]2C)C1 ZINC000344530154 445037555 /nfs/dbraw/zinc/03/75/55/445037555.db2.gz YDSGPLOQJGQCEX-PMPSAXMXSA-N 2 0 326.485 1.079 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343075822 445045229 /nfs/dbraw/zinc/04/52/29/445045229.db2.gz ZYNIQFPDRMCTOV-IBGZPJMESA-N 2 0 342.487 1.157 20 0 EDADRP C[C@H](C[NH2+]Cc1conc1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000339234719 445104165 /nfs/dbraw/zinc/10/41/65/445104165.db2.gz VBLWXPBSQZHOGU-MRXNPFEDSA-N 2 0 328.460 1.991 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343168944 445110812 /nfs/dbraw/zinc/11/08/12/445110812.db2.gz AVBWDTNHMVXPDQ-OALUTQOASA-N 2 0 342.487 1.330 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000345073201 445159418 /nfs/dbraw/zinc/15/94/18/445159418.db2.gz MDXKKLSRARROKU-NEWSRXKRSA-N 2 0 345.487 1.544 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343401217 445216027 /nfs/dbraw/zinc/21/60/27/445216027.db2.gz JZRCDRBHANLNBP-FUHWJXTLSA-N 2 0 335.496 1.115 20 0 EDADRP COC[C@]1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCC[NH2+]1 ZINC000343434474 445222364 /nfs/dbraw/zinc/22/23/64/445222364.db2.gz AWDABKWHKMKREZ-HXUWFJFHSA-N 2 0 345.487 1.727 20 0 EDADRP Cc1ncc([C@@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000347162576 445233149 /nfs/dbraw/zinc/23/31/49/445233149.db2.gz IATWKMSZSDIEHD-RHSMWYFYSA-N 2 0 335.496 1.837 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000343504562 445235412 /nfs/dbraw/zinc/23/54/12/445235412.db2.gz GDYCYBMOOUWYHL-KGLIPLIRSA-N 2 0 339.823 1.093 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[NH+](C)[C@H](C)CC)CC[N@@H+]1CCOC ZINC000347073574 445231103 /nfs/dbraw/zinc/23/11/03/445231103.db2.gz RRAALPKNOZHSCT-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000347901156 445254488 /nfs/dbraw/zinc/25/44/88/445254488.db2.gz NBJSEBYEAWQZLU-BHYGNILZSA-N 2 0 333.480 1.356 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000348010449 445261148 /nfs/dbraw/zinc/26/11/48/445261148.db2.gz WPOBCQDODAVMBZ-IRXDYDNUSA-N 2 0 325.497 1.140 20 0 EDADRP CC(C)[C@@H](C(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000354608421 445312376 /nfs/dbraw/zinc/31/23/76/445312376.db2.gz YQHFDLQILUGMBW-KRWDZBQOSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000354712312 445347983 /nfs/dbraw/zinc/34/79/83/445347983.db2.gz PTRXUVJENBWFSB-QGZVFWFLSA-N 2 0 346.475 1.725 20 0 EDADRP CC[C@@H]1C[C@@H](C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CCO1 ZINC000356968112 445352656 /nfs/dbraw/zinc/35/26/56/445352656.db2.gz QDXJWTDWPXEZDS-DOTOQJQBSA-N 2 0 325.497 1.581 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCOCC2)CC1)CC1CC1 ZINC000357091164 445422163 /nfs/dbraw/zinc/42/21/63/445422163.db2.gz WMJRSTZUFMCQEK-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1[NH+](C)C ZINC000362651172 445479474 /nfs/dbraw/zinc/47/94/74/445479474.db2.gz FNSUMNWESNQLRL-CAOSSQGBSA-N 2 0 326.485 1.077 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC000348906803 445437017 /nfs/dbraw/zinc/43/70/17/445437017.db2.gz BPXTYUCYWAHRSI-IAGOWNOFSA-N 2 0 345.487 1.348 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)([NH+](C)C)C1 ZINC000362563756 445441369 /nfs/dbraw/zinc/44/13/69/445441369.db2.gz CIAMFEKRZGAXRF-QWQRMKEZSA-N 2 0 333.480 1.727 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564596 445442625 /nfs/dbraw/zinc/44/26/25/445442625.db2.gz MHZIBJMZTNORCQ-RBSFLKMASA-N 2 0 333.480 1.584 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC2(C)CC[NH+](C)CC2)CCSC1 ZINC000357131508 445444854 /nfs/dbraw/zinc/44/48/54/445444854.db2.gz QSNJGARHXNGIHC-INIZCTEOSA-N 2 0 328.526 1.455 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)CC[C@@H]2CCCC[NH+]2C)CCCO1 ZINC000357181446 445470390 /nfs/dbraw/zinc/47/03/90/445470390.db2.gz FBNMINAVGRWRMA-SJORKVTESA-N 2 0 325.497 1.868 20 0 EDADRP C[C@H](C[NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000357249931 445507762 /nfs/dbraw/zinc/50/77/62/445507762.db2.gz SQTILLPFPBGGHW-CZUORRHYSA-N 2 0 332.448 1.386 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126378 445508858 /nfs/dbraw/zinc/50/88/58/445508858.db2.gz SHDOKXJWQPYRIU-AZUAARDMSA-N 2 0 347.503 1.718 20 0 EDADRP CC(C)N(C(=O)CN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C(C)C ZINC000362719392 445517778 /nfs/dbraw/zinc/51/77/78/445517778.db2.gz JQFDDFJLTCOGBL-GOSISDBHSA-N 2 0 338.540 1.732 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000362725965 445520415 /nfs/dbraw/zinc/52/04/15/445520415.db2.gz RTZHUGOYVAKHDQ-QFBILLFUSA-N 2 0 344.503 1.745 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000357226326 445492242 /nfs/dbraw/zinc/49/22/42/445492242.db2.gz OVMZJMNITPPJTD-QSFKDOLUSA-N 2 0 325.497 1.613 20 0 EDADRP COc1cc(C)nc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000349074991 445495359 /nfs/dbraw/zinc/49/53/59/445495359.db2.gz NQUSGJMGURTGMI-UHFFFAOYSA-N 2 0 332.492 1.858 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000352110156 445499276 /nfs/dbraw/zinc/49/92/76/445499276.db2.gz AIQKLJAHIFCWNQ-IBGZPJMESA-N 2 0 333.476 1.715 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000362794785 445552518 /nfs/dbraw/zinc/55/25/18/445552518.db2.gz NWNBLWJSCLSYST-JKSUJKDBSA-N 2 0 331.464 1.508 20 0 EDADRP C[N@H+](CCNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000362774275 445544087 /nfs/dbraw/zinc/54/40/87/445544087.db2.gz IXTJKTXBJZFVBP-UHFFFAOYSA-N 2 0 340.537 1.741 20 0 EDADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000358251957 445613293 /nfs/dbraw/zinc/61/32/93/445613293.db2.gz MYBOMMKKEVDCNS-NCYKPQTJSA-N 2 0 343.515 1.943 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1 ZINC000360184461 445617620 /nfs/dbraw/zinc/61/76/20/445617620.db2.gz LGAUECREHRKDPW-ZIAGYGMSSA-N 2 0 334.464 1.046 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353488706 445626058 /nfs/dbraw/zinc/62/60/58/445626058.db2.gz ORKINHUDNZJCEY-SFHVURJKSA-N 2 0 340.556 1.493 20 0 EDADRP OC1CCC([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000353494053 445628010 /nfs/dbraw/zinc/62/80/10/445628010.db2.gz YEGOBZWKWCDIMU-UHFFFAOYSA-N 2 0 333.480 1.272 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000353431605 445598216 /nfs/dbraw/zinc/59/82/16/445598216.db2.gz RBWRCAWPRSDXIG-HZPDHXFCSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000363006393 445647054 /nfs/dbraw/zinc/64/70/54/445647054.db2.gz HDBFCUXJGFYYAS-CALCHBBNSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000353537174 445647056 /nfs/dbraw/zinc/64/70/56/445647056.db2.gz WOJBMAQUPFPDIX-SJORKVTESA-N 2 0 336.524 1.441 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000358581979 445661401 /nfs/dbraw/zinc/66/14/01/445661401.db2.gz ACRHLYNTCLGNHZ-KRWDZBQOSA-N 2 0 341.544 1.243 20 0 EDADRP Cc1ccc(C(C)(C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000353578074 445663597 /nfs/dbraw/zinc/66/35/97/445663597.db2.gz CRFCRLJWIRUFQX-UHFFFAOYSA-N 2 0 330.476 1.958 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C(C)C ZINC000349757021 445667831 /nfs/dbraw/zinc/66/78/31/445667831.db2.gz JQLFKGPKWCTNEY-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000349854206 445700144 /nfs/dbraw/zinc/70/01/44/445700144.db2.gz UXRNARICZDMFPE-MRXNPFEDSA-N 2 0 328.464 1.383 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000360345636 445701656 /nfs/dbraw/zinc/70/16/56/445701656.db2.gz RANLVHKJEUBJTO-QGZVFWFLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[C@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000353688934 445707965 /nfs/dbraw/zinc/70/79/65/445707965.db2.gz BGDKBQBGVHYIHN-NVXWUHKLSA-N 2 0 331.460 1.767 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CC[NH+](C)C)CC2)C1 ZINC000349903021 445716445 /nfs/dbraw/zinc/71/64/45/445716445.db2.gz DTODRLICWPBJJT-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP COc1ccc2nc(C[NH2+]CCCN3CCC[C@H]3C(N)=O)sc2c1 ZINC000353743978 445735537 /nfs/dbraw/zinc/73/55/37/445735537.db2.gz ZMWHNWDOFLHBII-AWEZNQCLSA-N 2 0 348.472 1.734 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H]2Cn2ccnc2C(C)C)C1 ZINC000363347705 445774776 /nfs/dbraw/zinc/77/47/76/445774776.db2.gz AACYNGUZSAHDTC-HZPDHXFCSA-N 2 0 334.464 1.718 20 0 EDADRP C[NH+]1CCC(CNC(=O)C2CC[NH+](Cc3cccnc3)CC2)CC1 ZINC000361477636 445779006 /nfs/dbraw/zinc/77/90/06/445779006.db2.gz JAOOQNQGFMJPJR-UHFFFAOYSA-N 2 0 330.476 1.752 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363407851 445791690 /nfs/dbraw/zinc/79/16/90/445791690.db2.gz HAEGUQVDKGBRBW-UHFFFAOYSA-N 2 0 345.491 1.726 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000356469947 445808206 /nfs/dbraw/zinc/80/82/06/445808206.db2.gz FTYTTZJSMRBXNR-UHFFFAOYSA-N 2 0 339.399 1.600 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C[C@@H](C)O1 ZINC000363834555 445878527 /nfs/dbraw/zinc/87/85/27/445878527.db2.gz WGSUHYKPPNDTOH-MDZRGWNJSA-N 2 0 349.519 1.676 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000358891177 445834976 /nfs/dbraw/zinc/83/49/76/445834976.db2.gz YHVCCCJGODCWQF-INIZCTEOSA-N 2 0 325.497 1.773 20 0 EDADRP [NH3+]Cc1cc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)ccn1 ZINC000361615211 445848728 /nfs/dbraw/zinc/84/87/28/445848728.db2.gz HTXOGNFOXSVEOR-UHFFFAOYSA-N 2 0 340.427 1.749 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000363538286 445851043 /nfs/dbraw/zinc/85/10/43/445851043.db2.gz PXFPOYUWZJSCJX-LJQANCHMSA-N 2 0 345.487 1.880 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000582061503 325764304 /nfs/dbraw/zinc/76/43/04/325764304.db2.gz WNTFMMICODNHSE-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP CN(CC1(C)CC[NH+](Cc2ccccc2)CC1)C(=O)[C@H]1C[NH2+]CCO1 ZINC000361727010 445900913 /nfs/dbraw/zinc/90/09/13/445900913.db2.gz KBRGVOZWJCYAJV-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000350980399 445964000 /nfs/dbraw/zinc/96/40/00/445964000.db2.gz HWWGZLAERWTGLD-HUUCEWRRSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000366029207 445970802 /nfs/dbraw/zinc/97/08/02/445970802.db2.gz NPBJMODFRODFBY-INIZCTEOSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000351018025 445971781 /nfs/dbraw/zinc/97/17/81/445971781.db2.gz TUYJNXYRNGHQAV-OAGGEKHMSA-N 2 0 340.512 1.164 20 0 EDADRP CN1CCN(c2ncc(CN3CC[C@]4(C3)CCC[N@H+](C)C4)cn2)CC1 ZINC000354176060 445972033 /nfs/dbraw/zinc/97/20/33/445972033.db2.gz IMLWWEGCVZXKSJ-LJQANCHMSA-N 2 0 344.507 1.146 20 0 EDADRP C[C@@]1(O)CCC[NH+](CC2(C[N@H+]3CCC[C@@](C)(O)CC3)COC2)CC1 ZINC000369131378 445946041 /nfs/dbraw/zinc/94/60/41/445946041.db2.gz UITKGCQBBHTMTJ-QZTJIDSGSA-N 2 0 340.508 1.477 20 0 EDADRP C[N@H+](CCNS(=O)(=O)c1ccccc1)C[C@H]1CCc2nccn2C1 ZINC000364711654 445948012 /nfs/dbraw/zinc/94/80/12/445948012.db2.gz CEEGYMOTEGHFPB-OAHLLOKOSA-N 2 0 348.472 1.356 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000582780506 325925394 /nfs/dbraw/zinc/92/53/94/325925394.db2.gz UFYODOKWDYKMEX-MRXNPFEDSA-N 2 0 346.302 1.734 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000369218578 446000549 /nfs/dbraw/zinc/00/05/49/446000549.db2.gz JLZQRZPVVZWBRK-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000583013977 325979772 /nfs/dbraw/zinc/97/97/72/325979772.db2.gz BWJMRGKWYXVGNL-SJORKVTESA-N 2 0 346.475 1.313 20 0 EDADRP C[N@H+](CCNC(=O)NCCNc1cc[nH+]cc1)Cc1ccc(F)cc1 ZINC000361849316 446003848 /nfs/dbraw/zinc/00/38/48/446003848.db2.gz DTAJNJPRHCMUFH-UHFFFAOYSA-N 2 0 345.422 1.486 20 0 EDADRP COC1CCC(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000583292139 326042519 /nfs/dbraw/zinc/04/25/19/326042519.db2.gz VJQVEESVOAKIMZ-UHFFFAOYSA-N 2 0 342.528 1.717 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000365148058 446054478 /nfs/dbraw/zinc/05/44/78/446054478.db2.gz ZONLBECCGLKVNE-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP COC[C@@H](C)OC[C@H](O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000373144900 446057113 /nfs/dbraw/zinc/05/71/13/446057113.db2.gz FBUZQGSSRSOETE-IEBWSBKVSA-N 2 0 342.524 1.843 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000583993618 326180101 /nfs/dbraw/zinc/18/01/01/326180101.db2.gz OABSTFLUPHCYMJ-OTWHNJEPSA-N 2 0 342.487 1.752 20 0 EDADRP [NH3+]Cc1ccc(C[NH2+]C2CCN(CCN3CCOCC3)CC2)cc1 ZINC000584053584 326191229 /nfs/dbraw/zinc/19/12/29/326191229.db2.gz QVBXFJFSKZTXCW-UHFFFAOYSA-N 2 0 332.492 1.032 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359236279 446067832 /nfs/dbraw/zinc/06/78/32/446067832.db2.gz ONXKLQNUQKZSTE-INIZCTEOSA-N 2 0 331.464 1.392 20 0 EDADRP C[C@H]1CSCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365202945 446077376 /nfs/dbraw/zinc/07/73/76/446077376.db2.gz MJLBZZWJPQRAMQ-HUUCEWRRSA-N 2 0 340.537 1.549 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000351478108 446078539 /nfs/dbraw/zinc/07/85/39/446078539.db2.gz OVOOWAPJYQYVCA-NZUILWFCSA-N 2 0 349.450 1.850 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)C[NH+]1CCCC1 ZINC000369659519 446141645 /nfs/dbraw/zinc/14/16/45/446141645.db2.gz UNYAQKOLJBNMTJ-XMTFNYHQSA-N 2 0 334.508 1.844 20 0 EDADRP COc1cc(NC(=O)CC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc(OC)c1OC ZINC000359279601 446115322 /nfs/dbraw/zinc/11/53/22/446115322.db2.gz PCCQNZBTCGIRRA-STQMWFEESA-N 2 0 349.431 1.192 20 0 EDADRP CSC1(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC[NH+](C)CC1 ZINC000359279756 446115642 /nfs/dbraw/zinc/11/56/42/446115642.db2.gz GKTQJSPBJHPRQQ-CQSZACIVSA-N 2 0 329.510 1.039 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCCC[C@H]1CC ZINC000359282905 446119259 /nfs/dbraw/zinc/11/92/59/446119259.db2.gz XSNPBYHPXZEZTN-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)C[C@H](C)O1 ZINC000356964174 446162406 /nfs/dbraw/zinc/16/24/06/446162406.db2.gz WPZVTSKOFWRXSD-XWTMOSNGSA-N 2 0 348.491 1.286 20 0 EDADRP Cn1cc(-c2ncc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cn2)cn1 ZINC000366353429 446169145 /nfs/dbraw/zinc/16/91/45/446169145.db2.gz ZVHYQAZJXMMNDA-KRWDZBQOSA-N 2 0 344.463 1.204 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC1 ZINC000359389766 446193319 /nfs/dbraw/zinc/19/33/19/446193319.db2.gz LONMJGKTWSKCSB-SJLPKXTDSA-N 2 0 349.523 1.035 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362058473 446183242 /nfs/dbraw/zinc/18/32/42/446183242.db2.gz UYXPGDMTJPGHEB-PSBWJHGTSA-N 2 0 345.487 1.326 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)CC2)CC1 ZINC000366321728 446149556 /nfs/dbraw/zinc/14/95/56/446149556.db2.gz HYIJBZACALQYOY-IAGOWNOFSA-N 2 0 336.524 1.426 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CC(C)(C)[NH3+] ZINC000366323417 446150159 /nfs/dbraw/zinc/15/01/59/446150159.db2.gz LSJQKZPRRDVLIQ-UHFFFAOYSA-N 2 0 338.540 1.769 20 0 EDADRP O=C(CC[N@@H+]1CC[C@H](OCCCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000351620367 446215610 /nfs/dbraw/zinc/21/56/10/446215610.db2.gz PGRGCNGAJGYWIE-IBGZPJMESA-N 2 0 345.487 1.532 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)c1 ZINC000365528861 446242210 /nfs/dbraw/zinc/24/22/10/446242210.db2.gz RXYMDHWHHCKGDV-OALUTQOASA-N 2 0 345.487 1.979 20 0 EDADRP Cn1ccnc1C[C@@H]1CCC[N@H+](C[C@H](O)COCC(F)(F)F)C1 ZINC000366589927 446271563 /nfs/dbraw/zinc/27/15/63/446271563.db2.gz GSCDCHQXUHUMLY-STQMWFEESA-N 2 0 335.370 1.614 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC1(N2CCOCC2)CC1 ZINC000366745314 446332721 /nfs/dbraw/zinc/33/27/21/446332721.db2.gz MNQHSHJQWFMQDM-KURKYZTESA-N 2 0 337.508 1.330 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417436403 446351884 /nfs/dbraw/zinc/35/18/84/446351884.db2.gz DRUKFNKZQNZSDC-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000417526204 446361602 /nfs/dbraw/zinc/36/16/02/446361602.db2.gz MGURMPONVJOCIG-QAPCUYQASA-N 2 0 348.491 1.548 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000417523590 446361690 /nfs/dbraw/zinc/36/16/90/446361690.db2.gz IFIFTWHAZTXNCG-IRXDYDNUSA-N 2 0 348.491 1.596 20 0 EDADRP CC[NH2+]CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417583088 446365173 /nfs/dbraw/zinc/36/51/73/446365173.db2.gz LFXHCKDAPXKMFW-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)[C@H](C)C1 ZINC000417664139 446367895 /nfs/dbraw/zinc/36/78/95/446367895.db2.gz ATHNDMYXFFWAPF-VVLHAWIVSA-N 2 0 340.512 1.421 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)CCC[NH3+])[C@@H](C)C1 ZINC000417670910 446369668 /nfs/dbraw/zinc/36/96/68/446369668.db2.gz PCIPAEJWNFBQSO-HOTGVXAUSA-N 2 0 342.528 1.940 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)[C@@H](C)C1 ZINC000417673678 446369860 /nfs/dbraw/zinc/36/98/60/446369860.db2.gz XEPFXQJBJQDFOH-YVSFHVDLSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417910923 446383795 /nfs/dbraw/zinc/38/37/95/446383795.db2.gz LVXYTEDRIBPXJM-HJWJTTGWSA-N 2 0 338.496 1.194 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@@H](C[NH3+])C1 ZINC000417950109 446395859 /nfs/dbraw/zinc/39/58/59/446395859.db2.gz VPZOXYGAHICADM-TVFCKZIOSA-N 2 0 346.475 1.580 20 0 EDADRP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+]2CCCO)[C@H]2CCC[NH2+]2)cc1 ZINC000423144948 446439338 /nfs/dbraw/zinc/43/93/38/446439338.db2.gz ILDFVAZVFWKGKP-SXLOBPIMSA-N 2 0 347.503 1.925 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000370783263 446439686 /nfs/dbraw/zinc/43/96/86/446439686.db2.gz XLRHABOLQMTZRY-SPYBWZPUSA-N 2 0 349.450 1.614 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000418099207 446440450 /nfs/dbraw/zinc/44/04/50/446440450.db2.gz BSQZJFIBNXZLQW-QUCCMNQESA-N 2 0 342.487 1.904 20 0 EDADRP C[NH2+]C1CCN([C@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000420286293 446451192 /nfs/dbraw/zinc/45/11/92/446451192.db2.gz FFENOVINEHSABO-CYBMUJFWSA-N 2 0 333.432 1.162 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N[C@@H]1CCCC[NH2+]C1 ZINC000418003972 446412162 /nfs/dbraw/zinc/41/21/62/446412162.db2.gz ZEPNNJIYNSJILE-QZTJIDSGSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+]C[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418006673 446413580 /nfs/dbraw/zinc/41/35/80/446413580.db2.gz MOPBJNXEXNCDDP-JFIYKMOQSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCC[N@@H+]1C ZINC000418012704 446415769 /nfs/dbraw/zinc/41/57/69/446415769.db2.gz YBBDCOHKVHFLMZ-RANZSIQMSA-N 2 0 330.476 1.853 20 0 EDADRP Cc1cc(NC(=O)C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000374847410 446416149 /nfs/dbraw/zinc/41/61/49/446416149.db2.gz RLLWEHUCHYEIDE-UHFFFAOYSA-N 2 0 343.431 2.165 20 0 EDADRP COC1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000370767676 446425655 /nfs/dbraw/zinc/42/56/55/446425655.db2.gz VJSSLVSICAMSKD-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000418213294 446459794 /nfs/dbraw/zinc/45/97/94/446459794.db2.gz VYEIRYZSCLGATJ-YOEHRIQHSA-N 2 0 336.480 1.984 20 0 EDADRP COc1ccc(CCC(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420304132 446468447 /nfs/dbraw/zinc/46/84/47/446468447.db2.gz KXZVDNRBHSRZFB-SFHVURJKSA-N 2 0 345.487 1.772 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)[C@@H](C)CN1CCOCC1 ZINC000420310080 446473769 /nfs/dbraw/zinc/47/37/69/446473769.db2.gz MAMOEDXIPOSMOW-GOEBONIOSA-N 2 0 338.521 1.584 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCCCC1CCOCC1 ZINC000420310654 446473820 /nfs/dbraw/zinc/47/38/20/446473820.db2.gz MQTHVEDXBCMMRI-QGZVFWFLSA-N 2 0 325.497 1.903 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCC1([NH3+])CCCCCC1 ZINC000418280275 446482755 /nfs/dbraw/zinc/48/27/55/446482755.db2.gz AMMRDKFUOFTIQI-HUUCEWRRSA-N 2 0 326.485 1.135 20 0 EDADRP CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420317501 446484096 /nfs/dbraw/zinc/48/40/96/446484096.db2.gz UQNUEJJWAPZDPM-HUUCEWRRSA-N 2 0 325.453 1.005 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418286861 446484675 /nfs/dbraw/zinc/48/46/75/446484675.db2.gz SESPYVWKWFVXAP-MRXNPFEDSA-N 2 0 339.528 1.363 20 0 EDADRP COC(=O)c1cccc(OCC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420321991 446488298 /nfs/dbraw/zinc/48/82/98/446488298.db2.gz DOWZYEYQAUXUFN-MRXNPFEDSA-N 2 0 348.443 1.539 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326738 446493427 /nfs/dbraw/zinc/49/34/27/446493427.db2.gz KQFAHPXDLSVLLI-SJLPKXTDSA-N 2 0 345.487 1.721 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423340309 446496525 /nfs/dbraw/zinc/49/65/25/446496525.db2.gz VWZCTMXDUCHYRO-SOLBZPMBSA-N 2 0 347.507 1.905 20 0 EDADRP C[C@@H](C(=O)N1CCc2ccccc21)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420326182 446493773 /nfs/dbraw/zinc/49/37/73/446493773.db2.gz JLNKMTKYFFNCMV-YJLNNSPDSA-N 2 0 343.471 1.792 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCO[C@](C)(c3cnn(C)c3)C2)CC1 ZINC000367058978 446494803 /nfs/dbraw/zinc/49/48/03/446494803.db2.gz ZZSYSOLPFPGZRE-IBGZPJMESA-N 2 0 349.523 1.384 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418336959 446505375 /nfs/dbraw/zinc/50/53/75/446505375.db2.gz IODRIHPPGMCQDB-HZPDHXFCSA-N 2 0 328.501 1.374 20 0 EDADRP COc1ccc(OC)c(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337360 446508564 /nfs/dbraw/zinc/50/85/64/446508564.db2.gz NCTGEHUJDMGWEM-KFWWJZLASA-N 2 0 347.459 1.962 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423376126 446509008 /nfs/dbraw/zinc/50/90/08/446509008.db2.gz ANKQVINIHIHULA-TZMCWYRMSA-N 2 0 346.397 1.447 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339511 446509353 /nfs/dbraw/zinc/50/93/53/446509353.db2.gz LXHJTXJQHCMGNR-HZPDHXFCSA-N 2 0 345.443 1.353 20 0 EDADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420341112 446511420 /nfs/dbraw/zinc/51/14/20/446511420.db2.gz NQTDSNSJRNGGFS-ZWKOTPCHSA-N 2 0 345.487 1.975 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000418359933 446513713 /nfs/dbraw/zinc/51/37/13/446513713.db2.gz JNSSCMRKOVEFCK-GOEBONIOSA-N 2 0 340.512 1.381 20 0 EDADRP COc1ccc([C@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1O ZINC000423396620 446516640 /nfs/dbraw/zinc/51/66/40/446516640.db2.gz RVMDRVODURPORB-NHYWBVRUSA-N 2 0 347.381 1.888 20 0 EDADRP C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000420330891 446500555 /nfs/dbraw/zinc/50/05/55/446500555.db2.gz IJVVFLPLGJHHLU-BPQIPLTHSA-N 2 0 332.492 1.465 20 0 EDADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420389011 446564286 /nfs/dbraw/zinc/56/42/86/446564286.db2.gz NEOJCLQXVFVBPY-MHORFTMASA-N 2 0 349.519 1.724 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346881 446521889 /nfs/dbraw/zinc/52/18/89/446521889.db2.gz ZHXWPLBBADOOTB-HZPDHXFCSA-N 2 0 341.455 1.994 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1c(F)cccc1F ZINC000420347864 446523473 /nfs/dbraw/zinc/52/34/73/446523473.db2.gz ZNYIBYGMLJBMRE-OKILXGFUSA-N 2 0 337.414 1.555 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418388450 446524384 /nfs/dbraw/zinc/52/43/84/446524384.db2.gz VGCQQLWFYGSSQD-CQSZACIVSA-N 2 0 340.418 1.790 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423418311 446526611 /nfs/dbraw/zinc/52/66/11/446526611.db2.gz HRVYUMSARSDXMZ-YWPYICTPSA-N 2 0 325.250 1.476 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)CC(=O)N2 ZINC000433135351 446535347 /nfs/dbraw/zinc/53/53/47/446535347.db2.gz UJYDGDWEIAXVRR-CYBMUJFWSA-N 2 0 344.459 1.562 20 0 EDADRP CN(C)C(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433136988 446535412 /nfs/dbraw/zinc/53/54/12/446535412.db2.gz RTETUPJDGBLCLI-UHFFFAOYSA-N 2 0 332.448 1.530 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418416983 446537196 /nfs/dbraw/zinc/53/71/96/446537196.db2.gz UTGCJEBIXFBFSM-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433378417 446567371 /nfs/dbraw/zinc/56/73/71/446567371.db2.gz POSPIVFADOAJEI-INIZCTEOSA-N 2 0 348.495 1.445 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000433155460 446538357 /nfs/dbraw/zinc/53/83/57/446538357.db2.gz YBSMFUFVVQDWJF-GOSISDBHSA-N 2 0 347.459 1.996 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000433155461 446538449 /nfs/dbraw/zinc/53/84/49/446538449.db2.gz YBSMFUFVVQDWJF-SFHVURJKSA-N 2 0 347.459 1.996 20 0 EDADRP CCO[C@H]1C[C@@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433155356 446539509 /nfs/dbraw/zinc/53/95/09/446539509.db2.gz DTDLGCQUVJFTIV-CVEARBPZSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420367315 446545857 /nfs/dbraw/zinc/54/58/57/446545857.db2.gz VJQGTUUBAXZIKB-KGLIPLIRSA-N 2 0 325.478 1.717 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453119627 446546158 /nfs/dbraw/zinc/54/61/58/446546158.db2.gz KQUGVFFNDMNPSX-UHFFFAOYSA-N 2 0 345.531 1.914 20 0 EDADRP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420370103 446549313 /nfs/dbraw/zinc/54/93/13/446549313.db2.gz CFBRTIRDDGKKAF-MRXNPFEDSA-N 2 0 345.447 1.851 20 0 EDADRP CCOC(=O)[C@]1(C(C)C)CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420374618 446551993 /nfs/dbraw/zinc/55/19/93/446551993.db2.gz OFUJJRLVWSVALG-CMKODMSKSA-N 2 0 348.487 1.829 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(CCCO)C2)[C@H](C)C1 ZINC000453252240 446553233 /nfs/dbraw/zinc/55/32/33/446553233.db2.gz BWOXOVHZCLCKLH-QRVBRYPASA-N 2 0 341.540 1.560 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@H](C)C1 ZINC000418505975 446569819 /nfs/dbraw/zinc/56/98/19/446569819.db2.gz GTMRSLJNPKJIGK-KRWDZBQOSA-N 2 0 348.491 1.386 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000411497061 446570805 /nfs/dbraw/zinc/57/08/05/446570805.db2.gz YQLSAXCZNZVBDQ-GOSISDBHSA-N 2 0 339.524 1.896 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418509076 446572639 /nfs/dbraw/zinc/57/26/39/446572639.db2.gz AWUYUAYHAYETSC-KFWWJZLASA-N 2 0 326.485 1.255 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000418538317 446585641 /nfs/dbraw/zinc/58/56/41/446585641.db2.gz DPYHCVCNAJUUQE-MGHWNKPDSA-N 2 0 346.475 1.580 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418549843 446589968 /nfs/dbraw/zinc/58/99/68/446589968.db2.gz GACKOQPDQRXRTJ-GDAAHCPNSA-N 2 0 342.487 1.900 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)C1 ZINC000418554188 446591715 /nfs/dbraw/zinc/59/17/15/446591715.db2.gz IFZSNPNWZJNDPZ-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])CC[N@@H+]1CCOC ZINC000418678132 446645144 /nfs/dbraw/zinc/64/51/44/446645144.db2.gz VEIDWFCUINHBOP-HZPDHXFCSA-N 2 0 328.501 1.646 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000423719031 446658196 /nfs/dbraw/zinc/65/81/96/446658196.db2.gz DVMFECBHPJVFDS-LJQANCHMSA-N 2 0 331.460 1.098 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418743346 446665438 /nfs/dbraw/zinc/66/54/38/446665438.db2.gz CXWMXUJHDZQVBS-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)C2)CC1 ZINC000423738714 446669582 /nfs/dbraw/zinc/66/95/82/446669582.db2.gz GOBXOJPPOBCVOQ-JENIJYKNSA-N 2 0 334.508 1.005 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3C[C@]34CC[NH2+]C4)CC2)cc1 ZINC000423738626 446670004 /nfs/dbraw/zinc/67/00/04/446670004.db2.gz UZZVDLOMBVVEAS-ICSRJNTNSA-N 2 0 343.471 1.729 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000418751786 446670857 /nfs/dbraw/zinc/67/08/57/446670857.db2.gz RQNOIEVXHIAJEL-KBPBESRZSA-N 2 0 344.381 1.725 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418647507 446631815 /nfs/dbraw/zinc/63/18/15/446631815.db2.gz GRCHFWWFZGVEMF-AEFFLSMTSA-N 2 0 348.491 1.395 20 0 EDADRP COC[C@@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)CCC[NH2+]1 ZINC000418651323 446632578 /nfs/dbraw/zinc/63/25/78/446632578.db2.gz HIJPKJCPADPNAG-IBGZPJMESA-N 2 0 348.491 1.528 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000418775076 446692813 /nfs/dbraw/zinc/69/28/13/446692813.db2.gz VXQNGEDNGXNWEX-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[NH+]2CCC1CC2 ZINC000376751637 446697567 /nfs/dbraw/zinc/69/75/67/446697567.db2.gz PMVOITUHGIIYIO-UHFFFAOYSA-N 2 0 328.460 1.534 20 0 EDADRP CC[C@@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423820225 446711132 /nfs/dbraw/zinc/71/11/32/446711132.db2.gz GSFZVQUWFFPGOZ-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000371269367 446728786 /nfs/dbraw/zinc/72/87/86/446728786.db2.gz SSLXGESAWBHROD-RTBURBONSA-N 2 0 344.503 1.228 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371271402 446729995 /nfs/dbraw/zinc/72/99/95/446729995.db2.gz QIVWNDVUZCQKFK-QRVBRYPASA-N 2 0 343.471 1.630 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H]1COCCN1CC1CCC1 ZINC000376811520 446733492 /nfs/dbraw/zinc/73/34/92/446733492.db2.gz JUOQKRRFETWWTH-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CCN1CC[NH+](CC)CC1 ZINC000423940189 446789935 /nfs/dbraw/zinc/78/99/35/446789935.db2.gz NBMSNOGZBQOOJG-GOSISDBHSA-N 2 0 332.492 1.393 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423952194 446794838 /nfs/dbraw/zinc/79/48/38/446794838.db2.gz POQXSCXNMLUHPL-NNGSBXSVSA-N 2 0 330.476 1.653 20 0 EDADRP CC(C)(CNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000418835416 446740954 /nfs/dbraw/zinc/74/09/54/446740954.db2.gz NOWOABRJNPFQDY-LSDHHAIUSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886041 446743417 /nfs/dbraw/zinc/74/34/17/446743417.db2.gz ZOYNIUBHPPXDHZ-SNRMKQJTSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@@H+]1C ZINC000418959168 446828801 /nfs/dbraw/zinc/82/88/01/446828801.db2.gz HFHYNCKDCSEQSO-ZBFHGGJFSA-N 2 0 338.496 1.014 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000420817225 446840546 /nfs/dbraw/zinc/84/05/46/446840546.db2.gz ZEYUIIURKHFMRN-XUJLQICISA-N 2 0 328.526 1.596 20 0 EDADRP COCCn1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000371415610 446841364 /nfs/dbraw/zinc/84/13/64/446841364.db2.gz FGBXSEJIQAXLQU-UHFFFAOYSA-N 2 0 336.480 1.464 20 0 EDADRP COCC[NH2+]CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000375511235 446862138 /nfs/dbraw/zinc/86/21/38/446862138.db2.gz FQRJUXKBOZLJPO-MSOLQXFVSA-N 2 0 333.476 1.421 20 0 EDADRP Cc1cccn2c(=O)cc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)nc12 ZINC000424285044 446864643 /nfs/dbraw/zinc/86/46/43/446864643.db2.gz DZEULQKJXLDLSU-HNNXBMFYSA-N 2 0 326.444 1.967 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]1CF ZINC000454430525 446871980 /nfs/dbraw/zinc/87/19/80/446871980.db2.gz SAKGGQZSHVCVKZ-QGZVFWFLSA-N 2 0 349.454 1.737 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000377031547 446873211 /nfs/dbraw/zinc/87/32/11/446873211.db2.gz KAWAQQQIXSXEFK-HKUYNNGSSA-N 3 0 337.556 1.418 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000424455587 446874800 /nfs/dbraw/zinc/87/48/00/446874800.db2.gz NYOGMORDEIYPJT-UHFFFAOYSA-N 2 0 332.448 1.383 20 0 EDADRP CCNC(=O)C1(C[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000368467255 446881069 /nfs/dbraw/zinc/88/10/69/446881069.db2.gz VXRVBQXRLRIEJT-GVDBMIGSSA-N 2 0 337.508 1.772 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)CC(C)C ZINC000419125143 446938148 /nfs/dbraw/zinc/93/81/48/446938148.db2.gz JGCOAHKAUDCUSN-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368620237 446984997 /nfs/dbraw/zinc/98/49/97/446984997.db2.gz XMRDJIYQRTYADE-QZWWFDLISA-N 2 0 336.480 1.118 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCC[N@@H+]1C ZINC000421012565 446985875 /nfs/dbraw/zinc/98/58/75/446985875.db2.gz UCYONSCULCYPEY-ZWKOTPCHSA-N 2 0 332.492 1.432 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2cnc3n2CCCC3)CC[N@@H+]1CCOC ZINC000377302229 447051009 /nfs/dbraw/zinc/05/10/09/447051009.db2.gz BNCFTEPMFCMMQB-OAHLLOKOSA-N 2 0 349.479 1.472 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000368703611 447051697 /nfs/dbraw/zinc/05/16/97/447051697.db2.gz IWHQMPOIWJTPIR-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000419403454 447154347 /nfs/dbraw/zinc/15/43/47/447154347.db2.gz DVPRNAOCCDCCFV-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NC1CCC([NH3+])CC1)C1CCCCC1 ZINC000419409264 447158783 /nfs/dbraw/zinc/15/87/83/447158783.db2.gz MVLYRDUVABLVGS-UHFFFAOYSA-N 2 0 338.496 1.143 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000425437636 447161513 /nfs/dbraw/zinc/16/15/13/447161513.db2.gz BJTKEEJHIFIEAH-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000455449668 447133255 /nfs/dbraw/zinc/13/32/55/447133255.db2.gz UOJZBIVGRGUIPD-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000455610475 447183214 /nfs/dbraw/zinc/18/32/14/447183214.db2.gz LMANOHMDJMGKDB-UHFFFAOYSA-N 2 0 345.491 1.783 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000425479657 447183285 /nfs/dbraw/zinc/18/32/85/447183285.db2.gz QFVZCSDBVBEWJE-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CCNC(=O)Nc1ccnn1CC[NH+](C)C)[NH+]1CCCCC1 ZINC000455644233 447194041 /nfs/dbraw/zinc/19/40/41/447194041.db2.gz CHZYHYZWBHZQER-OAHLLOKOSA-N 2 0 336.484 1.831 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000455654440 447197654 /nfs/dbraw/zinc/19/76/54/447197654.db2.gz GJKYGBURMBJPNT-OAHLLOKOSA-N 2 0 336.484 1.831 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000377555482 447202331 /nfs/dbraw/zinc/20/23/31/447202331.db2.gz UCXRBJNIOXZLEF-UKRRQHHQSA-N 2 0 345.443 1.922 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447594121 447280320 /nfs/dbraw/zinc/28/03/20/447280320.db2.gz XADQUDUONCNUCP-CQSZACIVSA-N 2 0 343.493 1.677 20 0 EDADRP C[C@H](CC[NH2+]C[C@@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000379631022 447453368 /nfs/dbraw/zinc/45/33/68/447453368.db2.gz LQFZLJZIJXRYQF-IEBWSBKVSA-N 2 0 335.492 1.180 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000458691011 447454438 /nfs/dbraw/zinc/45/44/38/447454438.db2.gz OVLUNVBYBOHLFU-ZWKOTPCHSA-N 2 0 330.476 1.636 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]([NH3+])C(C)C)c2)CC1 ZINC000415502532 447484521 /nfs/dbraw/zinc/48/45/21/447484521.db2.gz TUYQONUTLHVYKF-QGZVFWFLSA-N 2 0 333.480 1.933 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419929541 447496848 /nfs/dbraw/zinc/49/68/48/447496848.db2.gz MPZLXESQHMCGAW-KRWDZBQOSA-N 2 0 346.475 1.137 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000457529214 447588552 /nfs/dbraw/zinc/58/85/52/447588552.db2.gz MDZOIYSGNAZVBA-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416203733 447535886 /nfs/dbraw/zinc/53/58/86/447535886.db2.gz YRSCKRCMNYFROR-PKOBYXMFSA-N 2 0 327.472 1.987 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)[NH+](CC)CC ZINC000427094100 447543364 /nfs/dbraw/zinc/54/33/64/447543364.db2.gz PFWWBPBJTQWKQP-SQNIBIBYSA-N 2 0 339.524 1.991 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427156241 447554703 /nfs/dbraw/zinc/55/47/03/447554703.db2.gz XIUFALCFSYKNJW-QZTJIDSGSA-N 2 0 335.492 1.717 20 0 EDADRP COC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398105980 447556385 /nfs/dbraw/zinc/55/63/85/447556385.db2.gz BNODITHIRSXEAS-FUHWJXTLSA-N 2 0 345.487 1.782 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420034009 447557921 /nfs/dbraw/zinc/55/79/21/447557921.db2.gz BVRUKDAAYFRBCE-MRXNPFEDSA-N 2 0 338.496 1.016 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055330 447562295 /nfs/dbraw/zinc/56/22/95/447562295.db2.gz XAQOFFYZWDXBJB-ROUUACIJSA-N 2 0 331.460 1.521 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccs1 ZINC000416432252 447600930 /nfs/dbraw/zinc/60/09/30/447600930.db2.gz DXIKOJYTMZEPPQ-ZNMIVQPWSA-N 2 0 336.505 1.992 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457660752 447613279 /nfs/dbraw/zinc/61/32/79/447613279.db2.gz YJEDISZTHJNXDY-UHFFFAOYSA-N 2 0 336.480 1.766 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]C2)C1 ZINC000416861972 447698290 /nfs/dbraw/zinc/69/82/90/447698290.db2.gz FOUPYKXSEDFIQV-HZPDHXFCSA-N 2 0 326.485 1.032 20 0 EDADRP C[C@H]1CN(Cc2cnc(C3CC3)nc2)CCN1C1CC[NH+](C)CC1 ZINC000459562478 447706471 /nfs/dbraw/zinc/70/64/71/447706471.db2.gz PXZNQVYPIURTPT-HNNXBMFYSA-N 2 0 329.492 1.954 20 0 EDADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)C[C@H]1C[NH3+] ZINC000422637368 447682937 /nfs/dbraw/zinc/68/29/37/447682937.db2.gz OLBVSFYFPXEJMQ-GMTAPVOTSA-N 2 0 338.374 1.070 20 0 EDADRP C[C@@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)[C@H]1CCCC[NH2+]1 ZINC000422833579 447763512 /nfs/dbraw/zinc/76/35/12/447763512.db2.gz WFJXGBJMXYSZQM-HUUCEWRRSA-N 2 0 336.480 1.751 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC3(C2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000416947954 447722055 /nfs/dbraw/zinc/72/20/55/447722055.db2.gz PLFORGZWDOPQGB-IYBDPMFKSA-N 2 0 338.496 1.271 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417026256 447730571 /nfs/dbraw/zinc/73/05/71/447730571.db2.gz ABFQGQRDANFHKE-IXDOHACOSA-N 2 0 340.512 1.646 20 0 EDADRP CN(C)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCOCC1 ZINC000422727603 447730993 /nfs/dbraw/zinc/73/09/93/447730993.db2.gz HNXPQIMLDLCNFK-XLIONFOSSA-N 2 0 345.487 1.943 20 0 EDADRP O=C(NCC[NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000422728918 447731238 /nfs/dbraw/zinc/73/12/38/447731238.db2.gz HAAKFMGFMCBWRB-CQSZACIVSA-N 2 0 340.265 1.911 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422835945 447764622 /nfs/dbraw/zinc/76/46/22/447764622.db2.gz ZKWNLOVXBSAHFL-IRXDYDNUSA-N 2 0 332.496 1.096 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000422742563 447735500 /nfs/dbraw/zinc/73/55/00/447735500.db2.gz RPUWKZNUKDHIHH-HOCLYGCPSA-N 2 0 325.478 1.590 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCC[C@H]3CCC[N@H+](C)C3)ccn2)CC1 ZINC000458179380 447738049 /nfs/dbraw/zinc/73/80/49/447738049.db2.gz YAOMJQWXAXOEOH-MRXNPFEDSA-N 2 0 345.491 1.295 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccccc1OCCN1CCOCC1 ZINC000422761958 447742284 /nfs/dbraw/zinc/74/22/84/447742284.db2.gz NFLRQHDGJKVWDU-AEFFLSMTSA-N 2 0 333.476 1.615 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422772257 447746001 /nfs/dbraw/zinc/74/60/01/447746001.db2.gz SHZRJVPVJYHLJJ-QGZVFWFLSA-N 2 0 339.487 1.963 20 0 EDADRP O=C(C[N@@H+]1CC2(CCC2)[C@H]2COC[C@@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459714221 447749469 /nfs/dbraw/zinc/74/94/69/447749469.db2.gz KYCYUDYBMITILM-IRXDYDNUSA-N 2 0 333.476 1.230 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1C ZINC000459728587 447753567 /nfs/dbraw/zinc/75/35/67/447753567.db2.gz IKJQPWINJVDQBM-INIZCTEOSA-N 2 0 336.480 1.885 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000422914781 447771552 /nfs/dbraw/zinc/77/15/52/447771552.db2.gz VZJSBZUPODBKGF-UHFFFAOYSA-N 2 0 330.476 1.354 20 0 EDADRP C[C@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000422919629 447772379 /nfs/dbraw/zinc/77/23/79/447772379.db2.gz KMYZTWQVCGNXRO-KBXCAEBGSA-N 2 0 330.476 1.936 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000430554072 447777831 /nfs/dbraw/zinc/77/78/31/447777831.db2.gz USTKFJCOQCAMIG-UHFFFAOYSA-N 2 0 333.432 1.353 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430556604 447777880 /nfs/dbraw/zinc/77/78/80/447777880.db2.gz KYSMPFPAPIAURD-UHFFFAOYSA-N 2 0 335.448 1.141 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)C(F)(F)F)CC[NH2+]CC1 ZINC000423016418 447791803 /nfs/dbraw/zinc/79/18/03/447791803.db2.gz SWDRZQLZHGRLSO-CMPLNLGQSA-N 2 0 326.359 1.211 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021417 447792111 /nfs/dbraw/zinc/79/21/11/447792111.db2.gz CAHFKQZYYXVXEQ-SQNIBIBYSA-N 3 0 340.556 1.979 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2nnc(C(C)C)[nH]2)CC[NH2+]CC1 ZINC000423025495 447793329 /nfs/dbraw/zinc/79/33/29/447793329.db2.gz OLUBWHHKAFVNFW-QWHCGFSZSA-N 2 0 337.468 1.900 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000462018722 447797552 /nfs/dbraw/zinc/79/75/52/447797552.db2.gz WBLHFIZVUJWIBE-OAGGEKHMSA-N 2 0 328.501 1.203 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@H]1C ZINC000462005787 447798112 /nfs/dbraw/zinc/79/81/12/447798112.db2.gz VEHQUXKYWXRCGW-BZUAXINKSA-N 2 0 328.501 1.203 20 0 EDADRP COc1ccc(CN2CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2=O)c(OC)c1 ZINC000423099836 447804403 /nfs/dbraw/zinc/80/44/03/447804403.db2.gz BBQOELAQWWGGOM-WMLDXEAASA-N 2 0 349.475 1.912 20 0 EDADRP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000423112501 447807801 /nfs/dbraw/zinc/80/78/01/447807801.db2.gz XJXLFBGAIXHKET-STQMWFEESA-N 2 0 345.896 1.596 20 0 EDADRP CC1CC[NH+](CCC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496700455 447851456 /nfs/dbraw/zinc/85/14/56/447851456.db2.gz QVWDFJWSGNNZBX-SFHVURJKSA-N 2 0 343.512 1.974 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@H](C)C2)C1 ZINC000489165890 447852181 /nfs/dbraw/zinc/85/21/81/447852181.db2.gz FODVHTZWZINZGU-VVLHAWIVSA-N 2 0 338.496 1.079 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000479648920 447823634 /nfs/dbraw/zinc/82/36/34/447823634.db2.gz QTWMKBWEBHPWSV-IRXDYDNUSA-N 2 0 340.512 1.349 20 0 EDADRP CS[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000487096014 447827577 /nfs/dbraw/zinc/82/75/77/447827577.db2.gz MRJWEYKDVFSUNR-HZPDHXFCSA-N 2 0 325.522 1.757 20 0 EDADRP CC(C)(C)OC(=O)NCC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000496755688 447884601 /nfs/dbraw/zinc/88/46/01/447884601.db2.gz HOOSFAJPKSTBEM-CQSZACIVSA-N 2 0 327.469 1.338 20 0 EDADRP CN(C)C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000497206028 447958402 /nfs/dbraw/zinc/95/84/02/447958402.db2.gz AMORHNLQELSGPE-CVEARBPZSA-N 2 0 335.448 1.552 20 0 EDADRP COc1c(N)ncnc1NCC1CCN(Cc2nc(C)c(C)o2)CC1 ZINC000570175762 447959516 /nfs/dbraw/zinc/95/95/16/447959516.db2.gz LQNKVOBBYAESDH-UHFFFAOYSA-N 2 0 346.435 1.996 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000530806443 447960341 /nfs/dbraw/zinc/96/03/41/447960341.db2.gz OHNJZWIEKNWBPP-HNNXBMFYSA-N 2 0 346.475 1.187 20 0 EDADRP C[C@@H]1C[N@H+](C)CCN1Cc1cncc(CN2CC[NH+](C)C[C@@H]2C)c1 ZINC000569917595 447915453 /nfs/dbraw/zinc/91/54/53/447915453.db2.gz KHYORXSKSGLUHJ-CALCHBBNSA-N 2 0 331.508 1.353 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccccc2C[NH+](C)C)n1 ZINC000570293592 447981310 /nfs/dbraw/zinc/98/13/10/447981310.db2.gz ZGGBKRGWLOJTGL-UHFFFAOYSA-N 2 0 329.448 1.436 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000525307479 447993914 /nfs/dbraw/zinc/99/39/14/447993914.db2.gz CBUUUBXKEVDOOP-GOSISDBHSA-N 2 0 326.481 1.759 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000525369745 447997285 /nfs/dbraw/zinc/99/72/85/447997285.db2.gz FZIFGELUAAZGSV-DOTOQJQBSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000491447351 448030363 /nfs/dbraw/zinc/03/03/63/448030363.db2.gz OIPZEBMOGARSOJ-KGLIPLIRSA-N 2 0 334.468 1.754 20 0 EDADRP CC[NH+]1CCC(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531291387 448054140 /nfs/dbraw/zinc/05/41/40/448054140.db2.gz BPRMUCKPORHRPU-LJQANCHMSA-N 2 0 331.460 1.224 20 0 EDADRP CC(C)(C)OC(=O)NCCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000496961883 448075698 /nfs/dbraw/zinc/07/56/98/448075698.db2.gz XREMEBLNSKNPTD-UHFFFAOYSA-N 2 0 341.496 1.945 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N(C)C[C@@H]1C[C@H](OC)C[NH+]1C ZINC000500878441 448088624 /nfs/dbraw/zinc/08/86/24/448088624.db2.gz YZZINJXCTSPPCV-JYJNAYRXSA-N 2 0 326.485 1.221 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000531489697 448093219 /nfs/dbraw/zinc/09/32/19/448093219.db2.gz OFDJVVSWWWSSQN-OAHLLOKOSA-N 2 0 349.450 1.737 20 0 EDADRP CC[C@@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)CC[NH+]1Cc1ccccc1 ZINC000571460373 448157823 /nfs/dbraw/zinc/15/78/23/448157823.db2.gz RFZFCSXUHGDCKK-UXHICEINSA-N 2 0 349.519 1.522 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695791 448128790 /nfs/dbraw/zinc/12/87/90/448128790.db2.gz XBAKOCBALDZYCM-UKPHBRMFSA-N 2 0 347.459 1.241 20 0 EDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714374 448131191 /nfs/dbraw/zinc/13/11/91/448131191.db2.gz CGNZQYQWKZFKEQ-AYOQOUSVSA-N 2 0 344.503 1.424 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2)Cc1ccccc1 ZINC000571301031 448133085 /nfs/dbraw/zinc/13/30/85/448133085.db2.gz HEDWRWVDRVMNDA-IBGZPJMESA-N 2 0 330.476 1.904 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2NC(=O)NCc1ccnc(N2CCCC2)c1 ZINC000571419453 448152498 /nfs/dbraw/zinc/15/24/98/448152498.db2.gz AWBKORGJAGVMLY-SFYZZRBRSA-N 2 0 343.475 1.997 20 0 EDADRP CN1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514924347 448224635 /nfs/dbraw/zinc/22/46/35/448224635.db2.gz CDKDTULCESCUOI-KCPJHIHWSA-N 2 0 340.830 1.967 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000527515899 448244389 /nfs/dbraw/zinc/24/43/89/448244389.db2.gz NTIZAKRJSUYNHV-UHFFFAOYSA-N 2 0 333.436 1.016 20 0 EDADRP CC(C)[NH+](CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(C)C ZINC000515349628 448294803 /nfs/dbraw/zinc/29/48/03/448294803.db2.gz BAMHVQOZUXKRBA-HNNXBMFYSA-N 2 0 336.484 1.269 20 0 EDADRP CO[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000515832403 448354145 /nfs/dbraw/zinc/35/41/45/448354145.db2.gz VAOYHXMOZIWACZ-DLBZAZTESA-N 2 0 341.883 1.225 20 0 EDADRP CCN1CCc2nc(NC(=O)COC3CCC([NH3+])CC3)sc2C1 ZINC000515838498 448355343 /nfs/dbraw/zinc/35/53/43/448355343.db2.gz ZPIMSODZWPIGIB-UHFFFAOYSA-N 2 0 338.477 1.746 20 0 EDADRP CN1CCC(CNC(=O)CCc2ncccn2)([NH+]2CCCCC2)CC1 ZINC000577672004 448356143 /nfs/dbraw/zinc/35/61/43/448356143.db2.gz LUFSHHKVBFBWJQ-UHFFFAOYSA-N 2 0 345.491 1.476 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCCC2)c1 ZINC000591418229 448357608 /nfs/dbraw/zinc/35/76/08/448357608.db2.gz UNESNPVCMWVXGT-AEFFLSMTSA-N 2 0 331.460 1.900 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccnn2CC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC000577581918 448331047 /nfs/dbraw/zinc/33/10/47/448331047.db2.gz MKEHKANGJCIUTC-HNNXBMFYSA-N 2 0 348.495 1.783 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC1 ZINC000566179852 448406441 /nfs/dbraw/zinc/40/64/41/448406441.db2.gz PIAJKDCLOWTRCA-IKKRTKPYSA-N 2 0 337.508 1.349 20 0 EDADRP CN(CCc1nnnn1-c1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000577878164 448410492 /nfs/dbraw/zinc/41/04/92/448410492.db2.gz PFZOONSMCARGKS-SJPCQFCGSA-N 2 0 326.448 1.762 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703509 448442536 /nfs/dbraw/zinc/44/25/36/448442536.db2.gz KJDCKKQTUJKLAP-AZUAARDMSA-N 2 0 349.519 1.522 20 0 EDADRP N[C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130174 448468371 /nfs/dbraw/zinc/46/83/71/448468371.db2.gz VIWLYFUNIMSUPQ-RDJZCZTQSA-N 2 0 344.484 1.824 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000578155521 448473579 /nfs/dbraw/zinc/47/35/79/448473579.db2.gz QEMYPFPIELYINY-GOOCMWNKSA-N 2 0 334.468 1.582 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000566482591 448489784 /nfs/dbraw/zinc/48/97/84/448489784.db2.gz PDEVJABITYLEPD-HOTGVXAUSA-N 2 0 337.489 1.831 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000584458714 448533332 /nfs/dbraw/zinc/53/33/32/448533332.db2.gz DSAWSKFKGTZIOB-AEFFLSMTSA-N 2 0 346.475 1.520 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000578316042 448513572 /nfs/dbraw/zinc/51/35/72/448513572.db2.gz LIJNAFIYOCACSP-HNNXBMFYSA-N 2 0 347.381 1.381 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)cn2)CC1 ZINC000573218061 448571922 /nfs/dbraw/zinc/57/19/22/448571922.db2.gz YREJCEPJLISAAW-MRXNPFEDSA-N 2 0 345.491 1.182 20 0 EDADRP C[C@@H]([NH2+]CCCF)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000537962675 448576207 /nfs/dbraw/zinc/57/62/07/448576207.db2.gz HJGZZDCVGVVGOV-CQSZACIVSA-N 2 0 345.484 1.927 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[NH2+]C[C@@H](O)C[NH+]3CCCC3)c2cc1C ZINC000566916354 448585429 /nfs/dbraw/zinc/58/54/29/448585429.db2.gz ZWPVNEDVQITMHX-SJORKVTESA-N 2 0 346.475 1.060 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1)C(C)C ZINC000567268632 448655297 /nfs/dbraw/zinc/65/52/97/448655297.db2.gz MBGOTWJUDPXVQZ-SFHVURJKSA-N 2 0 332.492 1.550 20 0 EDADRP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000518214893 448655393 /nfs/dbraw/zinc/65/53/93/448655393.db2.gz FWIWDOKYDDTXLP-CQSZACIVSA-N 2 0 326.448 1.783 20 0 EDADRP COC(=O)CC[N@H+](C[C@H](C[NH3+])c1ccc(F)cc1)C[C@H]1CCCO1 ZINC000573556162 448657529 /nfs/dbraw/zinc/65/75/29/448657529.db2.gz LBZCJFNURNOXPS-DOTOQJQBSA-N 2 0 338.423 1.912 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567463974 448699509 /nfs/dbraw/zinc/69/95/09/448699509.db2.gz AGNFKAVIHSFAQT-HNNXBMFYSA-N 2 0 332.448 1.192 20 0 EDADRP c1ccc2nc(NCC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)ccc2c1 ZINC000579221197 448743430 /nfs/dbraw/zinc/74/34/30/448743430.db2.gz MYGUNUTXSHHTRC-BHIYHBOVSA-N 2 0 340.471 2.393 20 0 EDADRP CN1CCN([C@@H](CNC(=O)C[C@H]2CCC[NH2+]2)c2cccs2)CC1 ZINC000519147806 448746557 /nfs/dbraw/zinc/74/65/57/448746557.db2.gz WPNTWWGHBRUPEP-CABCVRRESA-N 2 0 336.505 1.295 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000545884208 448804901 /nfs/dbraw/zinc/80/49/01/448804901.db2.gz PUZMHNYRBHPGKQ-IRXDYDNUSA-N 2 0 338.496 1.125 20 0 EDADRP C[NH2+]C[C@@](C)(O)CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000568049951 448807084 /nfs/dbraw/zinc/80/70/84/448807084.db2.gz ANSTXDRHGUPYAL-QGZVFWFLSA-N 2 0 325.884 1.818 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000568052758 448807927 /nfs/dbraw/zinc/80/79/27/448807927.db2.gz HGHSDUWYBMGVFQ-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)CC1 ZINC000579452095 448795672 /nfs/dbraw/zinc/79/56/72/448795672.db2.gz QNXKZXSDEXJVND-BWTSREIZSA-N 2 0 342.487 1.936 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000579468322 448801088 /nfs/dbraw/zinc/80/10/88/448801088.db2.gz CEDRYIUAAYNYOA-LJQANCHMSA-N 2 0 344.503 1.568 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000529322947 448823414 /nfs/dbraw/zinc/82/34/14/448823414.db2.gz RXTKTJYOBXCUBY-JKSUJKDBSA-N 2 0 332.448 1.239 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000568199381 448836774 /nfs/dbraw/zinc/83/67/74/448836774.db2.gz VVMXNGCBTKLZBU-GOSISDBHSA-N 2 0 336.524 1.393 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000579715256 448861146 /nfs/dbraw/zinc/86/11/46/448861146.db2.gz VKOQVDLKKZBMJU-MJGOQNOKSA-N 2 0 345.487 1.833 20 0 EDADRP CC1(C)CN(CC(=O)N[C@H](Cc2ccccc2)CN2CCOCC2)C1 ZINC000574528512 448896722 /nfs/dbraw/zinc/89/67/22/448896722.db2.gz KNJQHLBTHJBMDD-GOSISDBHSA-N 2 0 345.487 1.388 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000568728270 448909568 /nfs/dbraw/zinc/90/95/68/448909568.db2.gz JZEQUUNXMNGXER-ROUUACIJSA-N 2 0 331.460 1.765 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000579969072 448926024 /nfs/dbraw/zinc/92/60/24/448926024.db2.gz BVFOVMNUJROLAZ-CQSZACIVSA-N 2 0 332.448 1.857 20 0 EDADRP Cn1cc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(-c2cccnc2)n1 ZINC000579832513 448890501 /nfs/dbraw/zinc/89/05/01/448890501.db2.gz GKIOBUFJPVPEKL-KRWDZBQOSA-N 2 0 341.459 1.669 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000521406181 448980809 /nfs/dbraw/zinc/98/08/09/448980809.db2.gz PKCKPAVEINCONZ-MRXNPFEDSA-N 2 0 345.491 1.868 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000521005248 448945448 /nfs/dbraw/zinc/94/54/48/448945448.db2.gz SOOHOWZKCFKSPX-KRWDZBQOSA-N 2 0 339.528 1.221 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000582074160 449005210 /nfs/dbraw/zinc/00/52/10/449005210.db2.gz DIJWTPFRTWQVQT-MSOLQXFVSA-N 2 0 330.476 1.697 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000521455801 448989175 /nfs/dbraw/zinc/98/91/75/448989175.db2.gz TVDGKKGDSSGSIY-OALUTQOASA-N 2 0 341.540 1.514 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592955927 449076865 /nfs/dbraw/zinc/07/68/65/449076865.db2.gz PTYYDQAKIKNSKQ-HUUCEWRRSA-N 2 0 335.496 1.960 20 0 EDADRP C[C@@H](C(=O)NC1CCCCC1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238407 449091065 /nfs/dbraw/zinc/09/10/65/449091065.db2.gz NJBPZKZKDUXMFU-YJBOKZPZSA-N 2 0 337.508 1.914 20 0 EDADRP Cn1cc(-c2cc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)on2)cn1 ZINC000530242939 449092099 /nfs/dbraw/zinc/09/20/99/449092099.db2.gz VUWNJXFUBSXCHT-INIZCTEOSA-N 2 0 345.447 1.666 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC[NH+](C)CC1 ZINC000595633814 449092206 /nfs/dbraw/zinc/09/22/06/449092206.db2.gz ADOQIQKLWWUGNN-CQSZACIVSA-N 2 0 342.553 1.986 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530243711 449092414 /nfs/dbraw/zinc/09/24/14/449092414.db2.gz XRGFJEKJQDBQJI-IBGZPJMESA-N 2 0 345.487 1.979 20 0 EDADRP COC(=O)CN1CCC[C@H](CNc2nc(C)nc3c2CCCC3)C1 ZINC000590703186 449252818 /nfs/dbraw/zinc/25/28/18/449252818.db2.gz NYPPODCZGBNBGW-CQSZACIVSA-N 2 0 332.448 1.961 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@]34CCC[C@H]3C[NH2+]C4)C2)CC1 ZINC000601975427 449256513 /nfs/dbraw/zinc/25/65/13/449256513.db2.gz PEKXAAVLADFQSR-LNLFQRSKSA-N 2 0 334.508 1.003 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000602018438 449278732 /nfs/dbraw/zinc/27/87/32/449278732.db2.gz BUJRPBXVQICVEN-SJLPKXTDSA-N 3 0 347.503 1.858 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)[C@H]1C ZINC000602020500 449279527 /nfs/dbraw/zinc/27/95/27/449279527.db2.gz KNWSDDFMVYJGQQ-DZKIICNBSA-N 2 0 332.448 1.881 20 0 EDADRP NC(=O)NC(=O)CC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000596064014 449342412 /nfs/dbraw/zinc/34/24/12/449342412.db2.gz AICCINDHBYQJQT-INIZCTEOSA-N 2 0 344.459 1.463 20 0 EDADRP C[NH+](C)C1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000605401531 449373596 /nfs/dbraw/zinc/37/35/96/449373596.db2.gz ZJMNARAWLFSGBY-LJQANCHMSA-N 2 0 331.460 1.176 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000606700653 449511409 /nfs/dbraw/zinc/51/14/09/449511409.db2.gz OBLBKGYBSDLWHP-DOTOQJQBSA-N 2 0 340.512 1.469 20 0 EDADRP O=C(NCC12CCC[NH+]1CCC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000614226944 449515845 /nfs/dbraw/zinc/51/58/45/449515845.db2.gz MNONGJKFSWVQCD-FQEVSTJZSA-N 2 0 343.471 1.368 20 0 EDADRP C[C@@H]1CCCC(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000602468062 449613830 /nfs/dbraw/zinc/61/38/30/449613830.db2.gz JCFCJEUIEJXVBY-SWHMAYCHSA-N 2 0 343.537 1.114 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612489439 449738179 /nfs/dbraw/zinc/73/81/79/449738179.db2.gz SUOUOLVVGKKJAQ-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC2CC[NH+](CCO)CC2)([NH+](C)C)C1 ZINC000601270422 449789682 /nfs/dbraw/zinc/78/96/82/449789682.db2.gz QXIBGKIVWQQQPM-CRAIPNDOSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601243549 449769699 /nfs/dbraw/zinc/76/96/99/449769699.db2.gz QJNRCJMDFNXNBA-IYBDPMFKSA-N 2 0 340.512 1.110 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000599307845 449880037 /nfs/dbraw/zinc/88/00/37/449880037.db2.gz FAMLUPOGNSLDGW-LJQANCHMSA-N 2 0 344.503 1.799 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846024 449852973 /nfs/dbraw/zinc/85/29/73/449852973.db2.gz ORWMZPDXLLMBTI-HNNXBMFYSA-N 2 0 347.463 1.464 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612874919 449921611 /nfs/dbraw/zinc/92/16/11/449921611.db2.gz HYDWVVCLEHNUEA-GOSISDBHSA-N 2 0 334.464 1.221 20 0 EDADRP CCN(C(=O)c1cccc(N2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+](CC)C1 ZINC000617927123 449924658 /nfs/dbraw/zinc/92/46/58/449924658.db2.gz QIVUNIMZJBFWKZ-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620772042 450540889 /nfs/dbraw/zinc/54/08/89/450540889.db2.gz KVMLVVVHQIXZFK-SJLPKXTDSA-N 2 0 331.460 1.345 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000620772040 450541084 /nfs/dbraw/zinc/54/10/84/450541084.db2.gz KVMLVVVHQIXZFK-AEFFLSMTSA-N 2 0 331.460 1.345 20 0 EDADRP CC[N@H+](CCN1C(=O)CN(C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063863 450566378 /nfs/dbraw/zinc/56/63/78/450566378.db2.gz SZZJQPUYJFJYAQ-UHFFFAOYSA-N 2 0 332.448 1.464 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCCCO1 ZINC000623887099 450624809 /nfs/dbraw/zinc/62/48/09/450624809.db2.gz UKSOZXPKTIJFFT-ZWKOTPCHSA-N 2 0 347.507 1.926 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](CCOC(C)C)CC2)CC[N@@H+]1C ZINC000631610294 450676948 /nfs/dbraw/zinc/67/69/48/450676948.db2.gz WBELNWBMINGIMF-DLBZAZTESA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCC(C)(C)[NH+](C)C)ccc2[nH]c1=O ZINC000635110935 450657229 /nfs/dbraw/zinc/65/72/29/450657229.db2.gz CHNKRGGMWOPPRR-UHFFFAOYSA-N 2 0 347.463 1.374 20 0 EDADRP C[C@@H]1C[C@@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000623984329 450660222 /nfs/dbraw/zinc/66/02/22/450660222.db2.gz DTKUNSPSVNWQSM-OCCSQVGLSA-N 2 0 327.436 1.186 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000633074377 450660458 /nfs/dbraw/zinc/66/04/58/450660458.db2.gz CAZPNJBLYGGMQC-QGZVFWFLSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)C[NH2+]1 ZINC000627357421 450672333 /nfs/dbraw/zinc/67/23/33/450672333.db2.gz GEDDTLUDOWNDRL-LSDHHAIUSA-N 2 0 338.496 1.014 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)cn1 ZINC000631624149 450682488 /nfs/dbraw/zinc/68/24/88/450682488.db2.gz CMGNNWPIXCDWJP-UHFFFAOYSA-N 2 0 347.438 1.446 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000631663408 450702997 /nfs/dbraw/zinc/70/29/97/450702997.db2.gz XOAZEOWHQZTEDV-KRWDZBQOSA-N 2 0 339.505 1.695 20 0 EDADRP COc1cccc([C@H](CNC[C@H](O)C[NH+]2CCCC2)[NH+]2CCCC2)c1 ZINC000629554771 450733026 /nfs/dbraw/zinc/73/30/26/450733026.db2.gz BGBJQQSUWXPGFP-ICSRJNTNSA-N 2 0 347.503 1.878 20 0 EDADRP COc1ccc(C(C)(C)[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1F ZINC000629652699 450772372 /nfs/dbraw/zinc/77/23/72/450772372.db2.gz CTUITJDQHRSKQY-ZDUSSCGKSA-N 2 0 337.439 1.856 20 0 EDADRP c1cc2c(cccc2N2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)[nH]1 ZINC000629576823 450745217 /nfs/dbraw/zinc/74/52/17/450745217.db2.gz UGHVVGHPECQNQL-HNNXBMFYSA-N 2 0 326.444 1.811 20 0 EDADRP CC(C)Cc1ccc([C@H](CNc2nc(N)[nH+]c(N)n2)[NH+](C)C)cc1 ZINC000624223837 450753864 /nfs/dbraw/zinc/75/38/64/450753864.db2.gz FNZNDDIZGMGQJM-AWEZNQCLSA-N 2 0 329.452 1.032 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1conc1C ZINC000631869667 450837179 /nfs/dbraw/zinc/83/71/79/450837179.db2.gz QEZSULFLBQIDCY-CQSZACIVSA-N 2 0 344.481 1.020 20 0 EDADRP O[C@H]1CC[N@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624336852 450798144 /nfs/dbraw/zinc/79/81/44/450798144.db2.gz BQNYZCYWTIXTOF-HAGHYFMRSA-N 2 0 329.488 1.838 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635333239 450859015 /nfs/dbraw/zinc/85/90/15/450859015.db2.gz QGOOVPSJGSDTIK-CALCHBBNSA-N 2 0 339.524 1.829 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000631910379 450869719 /nfs/dbraw/zinc/86/97/19/450869719.db2.gz DCGIQQWOTMVVTK-MHORFTMASA-N 2 0 337.508 1.601 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000631971392 450929522 /nfs/dbraw/zinc/92/95/22/450929522.db2.gz QKJLMBCOTQQDQN-QGZVFWFLSA-N 2 0 339.505 1.522 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000630022846 450960003 /nfs/dbraw/zinc/96/00/03/450960003.db2.gz OHTYBQVRYXXFOO-NVXWUHKLSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000626890764 450987610 /nfs/dbraw/zinc/98/76/10/450987610.db2.gz SCIBVWIUCMVGEH-HIFRSBDPSA-N 2 0 332.448 1.252 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1C[NH+](C)C ZINC000626892886 450989610 /nfs/dbraw/zinc/98/96/10/450989610.db2.gz IXLUXUDMKHGKCY-CZUORRHYSA-N 2 0 332.448 1.252 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NCC2([NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000626922388 451005977 /nfs/dbraw/zinc/00/59/77/451005977.db2.gz VPTSADBOFBPIRM-QGZVFWFLSA-N 2 0 348.491 1.659 20 0 EDADRP C[C@H](CCNS(=O)(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000632059874 451008905 /nfs/dbraw/zinc/00/89/05/451008905.db2.gz WONQGRDIRBXKTM-MRXNPFEDSA-N 2 0 341.521 1.768 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000626930673 451013677 /nfs/dbraw/zinc/01/36/77/451013677.db2.gz GBZRLCSQFDNSLO-UHFFFAOYSA-N 2 0 348.491 1.358 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626933829 451017011 /nfs/dbraw/zinc/01/70/11/451017011.db2.gz ZMGXFAJZLYCJGD-UHFFFAOYSA-N 2 0 348.491 1.836 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccc(F)cc1 ZINC000626943408 451022501 /nfs/dbraw/zinc/02/25/01/451022501.db2.gz JEUKXDUZJKWBDC-HNNXBMFYSA-N 2 0 338.427 1.236 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000635527336 451024324 /nfs/dbraw/zinc/02/43/24/451024324.db2.gz HCFDPQLTGRUCDY-KSZLIROESA-N 2 0 330.476 1.998 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626947780 451026855 /nfs/dbraw/zinc/02/68/55/451026855.db2.gz YFHYLWRMDYOUIA-ZNMIVQPWSA-N 2 0 326.485 1.031 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCCC2)cc1 ZINC000626957399 451034848 /nfs/dbraw/zinc/03/48/48/451034848.db2.gz QBIZRUXBEKDFKO-GOSISDBHSA-N 2 0 348.491 1.749 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000627033828 451093296 /nfs/dbraw/zinc/09/32/96/451093296.db2.gz VTHRHGSTICBIPT-ZBFHGGJFSA-N 2 0 334.464 1.485 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000627082809 451115839 /nfs/dbraw/zinc/11/58/39/451115839.db2.gz MDADXBIYXLGMGT-MSOLQXFVSA-N 2 0 342.443 1.205 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000627105406 451124999 /nfs/dbraw/zinc/12/49/99/451124999.db2.gz HXSTTZJLAMFWOY-KSTCHIGDSA-N 2 0 348.413 1.543 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000627106554 451126320 /nfs/dbraw/zinc/12/63/20/451126320.db2.gz JHHBLMNERCPBHY-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635639356 451128182 /nfs/dbraw/zinc/12/81/82/451128182.db2.gz GEQMPLXUQGHIAI-MSOLQXFVSA-N 2 0 337.508 1.963 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C1 ZINC000627115430 451131863 /nfs/dbraw/zinc/13/18/63/451131863.db2.gz ASFXGKOEHHVMLO-FRRDWIJNSA-N 2 0 336.402 1.639 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000627116112 451132821 /nfs/dbraw/zinc/13/28/21/451132821.db2.gz ZGLRSLBKGLGGDC-SJWGOKEGSA-N 2 0 332.448 1.190 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632255196 451145856 /nfs/dbraw/zinc/14/58/56/451145856.db2.gz MIIJSRCOYLNASK-HZPDHXFCSA-N 2 0 331.526 1.512 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)CC[N@@H+]1CCOC ZINC000627164263 451158955 /nfs/dbraw/zinc/15/89/55/451158955.db2.gz KHTYVVWHYBVCID-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000635685755 451167215 /nfs/dbraw/zinc/16/72/15/451167215.db2.gz PQWLWCWLXWXNAW-IBGZPJMESA-N 2 0 345.487 1.530 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635705022 451185058 /nfs/dbraw/zinc/18/50/58/451185058.db2.gz RHHWUBVQMNPWFT-GUDVDZBRSA-N 2 0 349.519 1.887 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNS(=O)(=O)CCC[NH+](C)C)c1ccco1 ZINC000632328469 451200683 /nfs/dbraw/zinc/20/06/83/451200683.db2.gz BMIDNFMDSLPFKO-ZIAGYGMSSA-N 2 0 331.482 1.580 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632331323 451202964 /nfs/dbraw/zinc/20/29/64/451202964.db2.gz KDUVDJWALUIFAN-CVEARBPZSA-N 2 0 329.510 1.361 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000638083100 451245789 /nfs/dbraw/zinc/24/57/89/451245789.db2.gz JCWBNKGUBCZWSW-XPYUAMARSA-N 2 0 331.460 1.705 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@]3(C[NH3+])CCCOC3)C2)CC1 ZINC000638084900 451250152 /nfs/dbraw/zinc/25/01/52/451250152.db2.gz HHRCGNSDKRZVMQ-MJGOQNOKSA-N 2 0 337.508 1.712 20 0 EDADRP O=C(CN1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638086520 451251308 /nfs/dbraw/zinc/25/13/08/451251308.db2.gz SVEKJQRZMGKHLR-UHFFFAOYSA-N 2 0 344.503 1.584 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCCC1 ZINC000636524754 451267449 /nfs/dbraw/zinc/26/74/49/451267449.db2.gz UPRQRSRWOMWVCC-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638101075 451267765 /nfs/dbraw/zinc/26/77/65/451267765.db2.gz SNXJIEBOUWNSRR-ZHALLVOQSA-N 2 0 346.519 1.825 20 0 EDADRP [NH3+]C[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCCOC1 ZINC000638102687 451269083 /nfs/dbraw/zinc/26/90/83/451269083.db2.gz VWAVMGKFFJZCPW-IEBWSBKVSA-N 2 0 337.508 1.857 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[NH2+]CCO1 ZINC000638111412 451279917 /nfs/dbraw/zinc/27/99/17/451279917.db2.gz DMDAQDUAHQYUGL-LJQANCHMSA-N 2 0 347.459 1.156 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NCCCCC[NH+]1CCCC1 ZINC000632371737 451232045 /nfs/dbraw/zinc/23/20/45/451232045.db2.gz MTJVDZAVPJTWSG-UHFFFAOYSA-N 2 0 331.526 1.658 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638123626 451293372 /nfs/dbraw/zinc/29/33/72/451293372.db2.gz RHGYUNJUMWBXDB-YTQUADARSA-N 2 0 345.487 1.863 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)C1 ZINC000638125576 451296122 /nfs/dbraw/zinc/29/61/22/451296122.db2.gz FNXJJBWJTXEUPQ-LNLFQRSKSA-N 2 0 331.460 1.486 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635850762 451299437 /nfs/dbraw/zinc/29/94/37/451299437.db2.gz BHMIRRAPTBBCJL-UHFFFAOYSA-N 2 0 327.513 1.925 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000638136861 451310070 /nfs/dbraw/zinc/31/00/70/451310070.db2.gz NYIRGCIAMVERHS-MRXNPFEDSA-N 2 0 332.492 1.438 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cnc3c(c2)C[NH2+]CC3)c1 ZINC000638156396 451327299 /nfs/dbraw/zinc/32/72/99/451327299.db2.gz RSJZTLGNRKSRSW-INIZCTEOSA-N 2 0 326.400 1.244 20 0 EDADRP CC1(C)CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000638270010 451389399 /nfs/dbraw/zinc/38/93/99/451389399.db2.gz DDYGIUNRFRMUQO-UHFFFAOYSA-N 2 0 344.503 1.580 20 0 EDADRP COC[C@]1(CNC(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCC[NH2+]1 ZINC000638231490 451371737 /nfs/dbraw/zinc/37/17/37/451371737.db2.gz PRKNTTKLEGZTAY-DZGCQCFKSA-N 2 0 345.365 1.590 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638232501 451372066 /nfs/dbraw/zinc/37/20/66/451372066.db2.gz SEDYPRHKDAWVST-UHFFFAOYSA-N 2 0 331.395 1.278 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638240595 451375428 /nfs/dbraw/zinc/37/54/28/451375428.db2.gz LKFXHAYQIMGORF-NBOOPKSLSA-N 2 0 333.476 1.800 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636648164 451382654 /nfs/dbraw/zinc/38/26/54/451382654.db2.gz QTTJHAODOMAIIA-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000638261861 451385451 /nfs/dbraw/zinc/38/54/51/451385451.db2.gz IDQBRHABFZXMQQ-QRVBRYPASA-N 2 0 344.503 1.294 20 0 EDADRP Cn1cc(CCC[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)cn1 ZINC000638273713 451392176 /nfs/dbraw/zinc/39/21/76/451392176.db2.gz JUPXQBVMPHRIHI-FQEVSTJZSA-N 2 0 341.503 1.931 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638273689 451392334 /nfs/dbraw/zinc/39/23/34/451392334.db2.gz ATUZPDOTHLSXPO-UHFFFAOYSA-N 2 0 347.850 1.793 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000628751492 451398983 /nfs/dbraw/zinc/39/89/83/451398983.db2.gz RPOYTVPWMOAOQN-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000632559705 451400394 /nfs/dbraw/zinc/40/03/94/451400394.db2.gz LKWMJQDFCKWQLV-MRXNPFEDSA-N 2 0 343.537 1.799 20 0 EDADRP COC[C@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCC[NH2+]1 ZINC000638289903 451406228 /nfs/dbraw/zinc/40/62/28/451406228.db2.gz VYPIMSDPMUTQRI-IBGZPJMESA-N 2 0 346.475 1.573 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000638289558 451406423 /nfs/dbraw/zinc/40/64/23/451406423.db2.gz SNZSMXYSSSVUAB-SFHVURJKSA-N 2 0 332.448 1.170 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)ccc2[nH]c1=O ZINC000638334266 451439724 /nfs/dbraw/zinc/43/97/24/451439724.db2.gz AFTAFXJUXJCOSA-HNNXBMFYSA-N 2 0 347.463 1.407 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638307349 451421245 /nfs/dbraw/zinc/42/12/45/451421245.db2.gz DBHZDIBQMKOJGE-GDAAHCPNSA-N 2 0 345.487 1.862 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]CC(C)(C)N3CCOCC3)cn2)CC1 ZINC000638347782 451449755 /nfs/dbraw/zinc/44/97/55/451449755.db2.gz XMXZUUBQVZBMCA-UHFFFAOYSA-N 2 0 347.507 1.034 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638378426 451473150 /nfs/dbraw/zinc/47/31/50/451473150.db2.gz OYGYKRJIDLLBCY-IBGZPJMESA-N 2 0 346.475 1.525 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000638412621 451497844 /nfs/dbraw/zinc/49/78/44/451497844.db2.gz QLJWSWFBGKWVGQ-IRXDYDNUSA-N 2 0 331.460 1.599 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cn1 ZINC000638454825 451524716 /nfs/dbraw/zinc/52/47/16/451524716.db2.gz LILUBYCIWHMONT-UHFFFAOYSA-N 2 0 328.464 1.289 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)NCC[N@H+]1CC[C@@H](O)C1 ZINC000636817847 451532825 /nfs/dbraw/zinc/53/28/25/451532825.db2.gz JMBPIHYFWQYEJG-MRXNPFEDSA-N 2 0 326.485 1.008 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000631029853 451541807 /nfs/dbraw/zinc/54/18/07/451541807.db2.gz GXFXFSATGHAXND-OAHLLOKOSA-N 2 0 348.520 1.999 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638552644 451574219 /nfs/dbraw/zinc/57/42/19/451574219.db2.gz ORVYHCAGGKUWBJ-BSDSXHPESA-N 2 0 325.497 1.186 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000638526180 451558904 /nfs/dbraw/zinc/55/89/04/451558904.db2.gz GKRRQTAIWIJRCW-QFBILLFUSA-N 2 0 344.459 1.306 20 0 EDADRP Cn1nc2c(c1C[NH2+]C1CCN(C3CC[NH+](C)CC3)CC1)CCCC2 ZINC000631056886 451559089 /nfs/dbraw/zinc/55/90/89/451559089.db2.gz OPIOXICLTKQJCF-UHFFFAOYSA-N 2 0 345.535 1.947 20 0 EDADRP CC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631064383 451564411 /nfs/dbraw/zinc/56/44/11/451564411.db2.gz RPUNYJDJBYIOCY-UHFFFAOYSA-N 2 0 345.896 1.809 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C(F)(F)F ZINC000638552230 451573023 /nfs/dbraw/zinc/57/30/23/451573023.db2.gz YBIZOSYXRGVFNM-URSGVKGYSA-N 2 0 333.398 1.893 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000638572144 451583749 /nfs/dbraw/zinc/58/37/49/451583749.db2.gz VGKVRSQWIZWBPI-RBUKOAKNSA-N 2 0 344.503 1.764 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000638572452 451583776 /nfs/dbraw/zinc/58/37/76/451583776.db2.gz LPHPJXQYTWQACH-GZBFAFLISA-N 2 0 340.265 1.880 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000638601459 451599519 /nfs/dbraw/zinc/59/95/19/451599519.db2.gz DGKXWJLJNMRMGO-SJORKVTESA-N 2 0 337.508 1.997 20 0 EDADRP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)ccc1F ZINC000634962090 451624838 /nfs/dbraw/zinc/62/48/38/451624838.db2.gz LHZZEUYUSIKJFX-HNNXBMFYSA-N 2 0 328.453 1.944 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)[C@@H](C)C1 ZINC000631325726 451696728 /nfs/dbraw/zinc/69/67/28/451696728.db2.gz BBFKWSPDFMTKCE-MLHJIOFPSA-N 2 0 339.524 1.970 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638843589 451707826 /nfs/dbraw/zinc/70/78/26/451707826.db2.gz KVAAEXRSBZSZAV-IBGZPJMESA-N 2 0 348.450 2.000 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@H]3CCN(C)C3=O)CC2)cc1 ZINC000638856979 451711880 /nfs/dbraw/zinc/71/18/80/451711880.db2.gz VQVHMWNSUCIUOQ-DYVFJYSZSA-N 2 0 344.459 1.131 20 0 EDADRP CCCCNc1cc(C)[nH+]c(N2CCC([N@@H+]3CC[C@H](O)C3)CC2)n1 ZINC000631372136 451715763 /nfs/dbraw/zinc/71/57/63/451715763.db2.gz HUSKGSDRSRIHBM-INIZCTEOSA-N 2 0 333.480 2.032 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000638727045 451668042 /nfs/dbraw/zinc/66/80/42/451668042.db2.gz DAOYVYVDBBXMTQ-IAGOWNOFSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C2)cc1 ZINC000632956021 451668201 /nfs/dbraw/zinc/66/82/01/451668201.db2.gz SQSQRBCUNIJREJ-KBPBESRZSA-N 2 0 344.381 1.758 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H](CC[NH3+])C(F)F)cn2)CC1 ZINC000632961928 451670919 /nfs/dbraw/zinc/67/09/19/451670919.db2.gz WREWYPZBGZKVJQ-LBPRGKRZSA-N 2 0 330.383 1.254 20 0 EDADRP C[C@H]1CCn2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc2C1 ZINC000631268932 451671938 /nfs/dbraw/zinc/67/19/38/451671938.db2.gz WDTXSTQMOQDRQH-INIZCTEOSA-N 2 0 349.523 1.811 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)cn2)CC1 ZINC000638977171 451744430 /nfs/dbraw/zinc/74/44/30/451744430.db2.gz IVZKIJLROQRSMX-QGZVFWFLSA-N 2 0 345.422 1.970 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CCC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000641071699 451745047 /nfs/dbraw/zinc/74/50/47/451745047.db2.gz JCTBFMFAEYHATL-YESZJQIVSA-N 2 0 334.439 1.794 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000639001681 451750611 /nfs/dbraw/zinc/75/06/11/451750611.db2.gz MANVCHOKMAZRLI-ZIFCJYIRSA-N 2 0 331.460 1.453 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3cnc(C[NH3+])nc3)C2)cc1 ZINC000639002147 451750891 /nfs/dbraw/zinc/75/08/91/451750891.db2.gz XZQZMCAUPAFEIY-MRXNPFEDSA-N 2 0 325.416 1.248 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)COC3CCC([NH3+])CC3)C2)cc1 ZINC000639004677 451751357 /nfs/dbraw/zinc/75/13/57/451751357.db2.gz IVRDTDJRVGIXOR-XBMUEBEBSA-N 2 0 345.487 1.972 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH2+]CCC3(F)F)C2)cc1 ZINC000639006338 451751580 /nfs/dbraw/zinc/75/15/80/451751580.db2.gz VXJLROZJPRUNRE-JKSUJKDBSA-N 2 0 337.414 1.930 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000641169883 451768255 /nfs/dbraw/zinc/76/82/55/451768255.db2.gz SBEUCIPNLCCZNZ-SFHVURJKSA-N 2 0 334.512 1.507 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](OC)C2CCOCC2)CC1 ZINC000639127132 451773325 /nfs/dbraw/zinc/77/33/25/451773325.db2.gz OFYHFZSNYNBIHQ-GOSISDBHSA-N 2 0 335.448 1.654 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220726 451787274 /nfs/dbraw/zinc/78/72/74/451787274.db2.gz DXFLDXIPXOYMLC-ZBFHGGJFSA-N 2 0 337.855 1.681 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000639186051 451788018 /nfs/dbraw/zinc/78/80/18/451788018.db2.gz XWXZPYUJQYZWCQ-NVXWUHKLSA-N 2 0 348.491 1.949 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000639206172 451791737 /nfs/dbraw/zinc/79/17/37/451791737.db2.gz NLXPJLIGPOPVGP-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000639206171 451791758 /nfs/dbraw/zinc/79/17/58/451791758.db2.gz NLXPJLIGPOPVGP-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc(C3CC3)no2)(N2CCOCC2)CC1 ZINC000639260670 451800592 /nfs/dbraw/zinc/80/05/92/451800592.db2.gz BLTQQVUKCVQMTH-UHFFFAOYSA-N 2 0 334.464 1.438 20 0 EDADRP CN(CCN1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000637371054 451803226 /nfs/dbraw/zinc/80/32/26/451803226.db2.gz WTYFJIPGAPKUSN-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997305 451803500 /nfs/dbraw/zinc/80/35/00/451803500.db2.gz FERLLYMBTFMTBB-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP CCCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000646767291 451829644 /nfs/dbraw/zinc/82/96/44/451829644.db2.gz UJHJBSKJPUKSJC-KRWDZBQOSA-N 2 0 346.475 1.629 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)Cc1ccc(F)cc1 ZINC000644601520 451887532 /nfs/dbraw/zinc/88/75/32/451887532.db2.gz RTHYWPWUDAXOPL-IPMKNSEASA-N 2 0 336.451 1.697 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@]2(COC)CCC[NH2+]2)[NH+](C)C)cc1 ZINC000649278488 451949683 /nfs/dbraw/zinc/94/96/83/451949683.db2.gz HRGJSVZKIMRMOV-IEBWSBKVSA-N 2 0 333.476 1.737 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000649278590 451950060 /nfs/dbraw/zinc/95/00/60/451950060.db2.gz OSWYNLNMAZHQRE-KBPBESRZSA-N 2 0 329.366 1.789 20 0 EDADRP CN(CCc1cnccn1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000639558938 451945512 /nfs/dbraw/zinc/94/55/12/451945512.db2.gz LFZIOEJZFUVTGR-IBGZPJMESA-N 2 0 326.444 1.588 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC2([NH+](C)C)CCCC2)cnn1C ZINC000649277623 451948101 /nfs/dbraw/zinc/94/81/01/451948101.db2.gz KSVSWRIDZKDYBH-CVEARBPZSA-N 2 0 333.480 1.022 20 0 EDADRP c1nc2n(n1)[C@@H](C[NH+]1CCC(CCC[NH+]3CCOCC3)CC1)CC2 ZINC000639575078 451952948 /nfs/dbraw/zinc/95/29/48/451952948.db2.gz ZJUNWLSPLYFEIH-QGZVFWFLSA-N 2 0 333.480 1.590 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)CC(C)C ZINC000649285348 451958758 /nfs/dbraw/zinc/95/87/58/451958758.db2.gz QCGOPBPDMUAOBZ-CABCVRRESA-N 2 0 336.484 1.299 20 0 EDADRP COCCC1(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000649287844 451960735 /nfs/dbraw/zinc/96/07/35/451960735.db2.gz CAGJXLLQALOLST-UHFFFAOYSA-N 2 0 349.475 1.972 20 0 EDADRP COCCC1(C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000649292998 451969782 /nfs/dbraw/zinc/96/97/82/451969782.db2.gz SSRNPXVOYOWMQY-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000649295997 451970488 /nfs/dbraw/zinc/97/04/88/451970488.db2.gz PUCNTUJOINWJAB-QAPCUYQASA-N 2 0 331.460 1.957 20 0 EDADRP COc1cc(CNC(=O)[C@H]([NH3+])CC(C)C)ccc1OCC[NH+](C)C ZINC000649301966 451977849 /nfs/dbraw/zinc/97/78/49/451977849.db2.gz BMXKFEOWILNIDV-OAHLLOKOSA-N 2 0 337.464 1.625 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000649303974 451979203 /nfs/dbraw/zinc/97/92/03/451979203.db2.gz WOTZFGLGRRJTQZ-OALUTQOASA-N 2 0 345.487 1.812 20 0 EDADRP COCCC1(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649306852 451983564 /nfs/dbraw/zinc/98/35/64/451983564.db2.gz TVUCZLRZHGBDNT-JKSUJKDBSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000649313278 451991685 /nfs/dbraw/zinc/99/16/85/451991685.db2.gz XHNPBKZZAONCIU-OAHLLOKOSA-N 2 0 328.420 1.169 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321320 452000098 /nfs/dbraw/zinc/00/00/98/452000098.db2.gz TZAKVHRFSOBZRP-ROUUACIJSA-N 2 0 331.460 1.120 20 0 EDADRP [NH3+]C1(C(=O)NCC2([NH+]3CCCC3)CCOCC2)Cc2ccccc2C1 ZINC000649322788 452002265 /nfs/dbraw/zinc/00/22/65/452002265.db2.gz MHMPBXVCFGOGDE-UHFFFAOYSA-N 2 0 343.471 1.244 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000642975107 452003923 /nfs/dbraw/zinc/00/39/23/452003923.db2.gz IGBREBJUTJUZDD-UHFFFAOYSA-N 2 0 340.512 1.199 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637667314 452010472 /nfs/dbraw/zinc/01/04/72/452010472.db2.gz CIFOAMADNMBQLC-HNNXBMFYSA-N 2 0 348.495 1.955 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649330075 452011280 /nfs/dbraw/zinc/01/12/80/452011280.db2.gz UXWGQPLXQAMQMG-SJLPKXTDSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H]1C[NH2+]CCOC1 ZINC000649336684 452017614 /nfs/dbraw/zinc/01/76/14/452017614.db2.gz MPMZBYXFTGJDOJ-BPQIPLTHSA-N 2 0 331.460 1.249 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000649336718 452017886 /nfs/dbraw/zinc/01/78/86/452017886.db2.gz OYINIONSXXQCTD-MRXNPFEDSA-N 2 0 345.487 1.679 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)COC2(C)C[NH2+]C2)[C@@H]1c1cccs1 ZINC000649341122 452021542 /nfs/dbraw/zinc/02/15/42/452021542.db2.gz OIDCGSPYVSXDKC-XJKSGUPXSA-N 2 0 337.489 1.626 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342873 452022690 /nfs/dbraw/zinc/02/26/90/452022690.db2.gz VBMBLQULWDJXMU-MJGOQNOKSA-N 2 0 331.460 1.488 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C3CCC([NH3+])CC3)cn2)CC1 ZINC000649350549 452032796 /nfs/dbraw/zinc/03/27/96/452032796.db2.gz MWVUUYRMFQESGB-UHFFFAOYSA-N 2 0 345.491 1.357 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649350618 452033482 /nfs/dbraw/zinc/03/34/82/452033482.db2.gz SJOPAUWUFXXLRX-XJKSGUPXSA-N 2 0 338.883 1.482 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351386 452035269 /nfs/dbraw/zinc/03/52/69/452035269.db2.gz SHEPRAFLEJHZSF-QRQLOZEOSA-N 2 0 342.487 1.455 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1[NH2+]CC1(C)C ZINC000649353638 452037149 /nfs/dbraw/zinc/03/71/49/452037149.db2.gz XPBJYWZTFVOBAK-QGZVFWFLSA-N 2 0 346.475 1.774 20 0 EDADRP [NH3+]C1(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000647090780 452055102 /nfs/dbraw/zinc/05/51/02/452055102.db2.gz YGVAJOPOWAEXLO-UHFFFAOYSA-N 3 0 330.476 1.368 20 0 EDADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649382201 452055315 /nfs/dbraw/zinc/05/53/15/452055315.db2.gz VREDZNRJOSKOBK-PMACEKPBSA-N 2 0 331.504 1.956 20 0 EDADRP CC[N@H+](CCN1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000649413743 452076674 /nfs/dbraw/zinc/07/66/74/452076674.db2.gz AIXXONJBSNGZLQ-UHFFFAOYSA-N 2 0 331.508 1.525 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759640 452098028 /nfs/dbraw/zinc/09/80/28/452098028.db2.gz FHXNCTQKMFRDKK-HNNXBMFYSA-N 2 0 333.480 1.782 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647171677 452103782 /nfs/dbraw/zinc/10/37/82/452103782.db2.gz RSXZPFJYANNJFS-MRXNPFEDSA-N 2 0 328.464 1.383 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647179662 452108745 /nfs/dbraw/zinc/10/87/45/452108745.db2.gz KDKNHNLGNONTLZ-KRWDZBQOSA-N 2 0 342.491 1.631 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000647181079 452110682 /nfs/dbraw/zinc/11/06/82/452110682.db2.gz IKLSLNDHFNASJH-QGZVFWFLSA-N 2 0 327.476 1.906 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[C@H]1[NH3+] ZINC000637846783 452112794 /nfs/dbraw/zinc/11/27/94/452112794.db2.gz DIEOFFVXNJGUEY-GXTWGEPZSA-N 2 0 345.447 1.113 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637847792 452113378 /nfs/dbraw/zinc/11/33/78/452113378.db2.gz DFTRAUMHQDPBIC-NLWGTHIKSA-N 2 0 345.487 1.625 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000637864377 452119821 /nfs/dbraw/zinc/11/98/21/452119821.db2.gz RLNISOCSMFBJHC-UHFFFAOYSA-N 2 0 333.476 1.517 20 0 EDADRP Cc1nc(N2CC[C@@H](C[NH+](C)C)C2)cc(N2CC[C@@H](C[NH+](C)C)C2)[nH+]1 ZINC000645040481 452130180 /nfs/dbraw/zinc/13/01/80/452130180.db2.gz WWMKWQJQMFNJAU-IRXDYDNUSA-N 3 0 346.523 1.561 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCN3Cc3ccccn3)C2)C1 ZINC000647252288 452145266 /nfs/dbraw/zinc/14/52/66/452145266.db2.gz BAEXWAFVJBESEO-ICSRJNTNSA-N 2 0 342.487 1.990 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3nnc(N)o3)C2)CC1 ZINC000639822420 452156839 /nfs/dbraw/zinc/15/68/39/452156839.db2.gz OTCIROJIEXLBKH-HNNXBMFYSA-N 2 0 336.484 1.247 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000654004037 452199097 /nfs/dbraw/zinc/19/90/97/452199097.db2.gz AKQJWDJTWLILJD-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645218718 452216957 /nfs/dbraw/zinc/21/69/57/452216957.db2.gz GMXCYKRWSZWPDI-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000643454633 452231436 /nfs/dbraw/zinc/23/14/36/452231436.db2.gz YGQBWEKTYUKMAB-UHFFFAOYSA-N 2 0 325.478 1.343 20 0 EDADRP NC1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000647552252 452279664 /nfs/dbraw/zinc/27/96/64/452279664.db2.gz MQBMGGHNULJNIX-XUVXKRRUSA-N 3 0 342.531 1.958 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NCC(=O)Nc1ccc(CN2CCOCC2)cc1 ZINC000641803835 452280410 /nfs/dbraw/zinc/28/04/10/452280410.db2.gz VDPUCMXKEKBMHE-SJORKVTESA-N 2 0 346.475 1.173 20 0 EDADRP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000657505108 452286089 /nfs/dbraw/zinc/28/60/89/452286089.db2.gz ULFJFMLPAZLPSO-OAGGEKHMSA-N 2 0 329.448 1.855 20 0 EDADRP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)C1CCOCC1 ZINC000638033566 452287786 /nfs/dbraw/zinc/28/77/86/452287786.db2.gz FWUJWMAOUSQCEV-RBUKOAKNSA-N 2 0 339.524 1.530 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH3+])N(Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1C ZINC000641810484 452291131 /nfs/dbraw/zinc/29/11/31/452291131.db2.gz XLWXGYVVRSXBCN-FMKPAKJESA-N 2 0 339.505 1.885 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645324603 452302645 /nfs/dbraw/zinc/30/26/45/452302645.db2.gz CCKZPRSAPTXBMX-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP [NH3+]C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655514443 452322132 /nfs/dbraw/zinc/32/21/32/452322132.db2.gz QSJLETFLWUIBAV-KBPBESRZSA-N 2 0 329.366 1.904 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000638051131 452324645 /nfs/dbraw/zinc/32/46/45/452324645.db2.gz XNXXLFNWQMRUGS-NVXWUHKLSA-N 2 0 329.444 1.996 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000641851840 452326537 /nfs/dbraw/zinc/32/65/37/452326537.db2.gz BKNSDHVGNAMUHH-SHTZXODSSA-N 2 0 326.485 1.162 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657573780 452342606 /nfs/dbraw/zinc/34/26/06/452342606.db2.gz UDIWONAFPBZBNV-LBPRGKRZSA-N 2 0 335.418 1.801 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000652163817 452359261 /nfs/dbraw/zinc/35/92/61/452359261.db2.gz YUQGVRVGRKYWRF-QGZVFWFLSA-N 2 0 336.505 1.643 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659509491 452374263 /nfs/dbraw/zinc/37/42/63/452374263.db2.gz GNYLZFNYUUCGDE-JQFCIGGWSA-N 2 0 334.439 1.570 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C[C@@H]1O ZINC000663640609 452382053 /nfs/dbraw/zinc/38/20/53/452382053.db2.gz FKGYMYVZINLORY-SQNIBIBYSA-N 2 0 346.475 1.140 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638073989 452384234 /nfs/dbraw/zinc/38/42/34/452384234.db2.gz YSXHYYXMBXCWRF-YXJHDRRASA-N 2 0 331.460 1.520 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638074958 452387855 /nfs/dbraw/zinc/38/78/55/452387855.db2.gz BVZWSEHVURPQOD-DAYGRLMNSA-N 2 0 349.475 1.701 20 0 EDADRP CCC[NH2+]CCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659525485 452387991 /nfs/dbraw/zinc/38/79/91/452387991.db2.gz SOHBGVQJUDTDLW-KRWDZBQOSA-N 2 0 334.464 1.052 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CCO1 ZINC000659529350 452391052 /nfs/dbraw/zinc/39/10/52/452391052.db2.gz KKPLJMBHNOTBQN-DOTOQJQBSA-N 2 0 326.485 1.128 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652196316 452393719 /nfs/dbraw/zinc/39/37/19/452393719.db2.gz OXRWLCVMHABKIJ-IXDOHACOSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659536656 452396649 /nfs/dbraw/zinc/39/66/49/452396649.db2.gz ISETVADXQFUWPX-MAUKXSAKSA-N 2 0 345.491 1.591 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000654351275 452400714 /nfs/dbraw/zinc/40/07/14/452400714.db2.gz DZRMXVXEKWOACY-FGTMMUONSA-N 2 0 332.492 1.799 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@H]1Cc1ccccc1 ZINC000652209091 452404704 /nfs/dbraw/zinc/40/47/04/452404704.db2.gz ZUPKYRMLGSTABN-ZWKOTPCHSA-N 2 0 332.492 1.928 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000659547990 452406150 /nfs/dbraw/zinc/40/61/50/452406150.db2.gz GDHIVXBRNJOKSD-GZBFAFLISA-N 2 0 338.427 1.316 20 0 EDADRP C[C@]1(CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CCC[NH2+]C1 ZINC000652213661 452407629 /nfs/dbraw/zinc/40/76/29/452407629.db2.gz ZVULLWIMAYWTOO-LHHMISFZSA-N 2 0 338.496 1.304 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000652225113 452417362 /nfs/dbraw/zinc/41/73/62/452417362.db2.gz QHGGMCRGPNZCST-MRXNPFEDSA-N 2 0 340.512 1.361 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC2(C[NH3+])CC2)C1 ZINC000652240392 452427810 /nfs/dbraw/zinc/42/78/10/452427810.db2.gz ZIGHUVXCNBHGBD-HNNXBMFYSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575852 452430148 /nfs/dbraw/zinc/43/01/48/452430148.db2.gz CLOYPYKDDZVOGI-BZZMCLGOSA-N 2 0 330.476 1.901 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000659577570 452432430 /nfs/dbraw/zinc/43/24/30/452432430.db2.gz SYEGHPCATZWEQS-BRSBDYLESA-N 2 0 346.475 1.137 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659577890 452432696 /nfs/dbraw/zinc/43/26/96/452432696.db2.gz ZAKIAQXDRVSGDZ-BRSBDYLESA-N 2 0 328.460 1.526 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659582921 452438212 /nfs/dbraw/zinc/43/82/12/452438212.db2.gz WZLVVMGRVOHPQG-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000659582822 452438493 /nfs/dbraw/zinc/43/84/93/452438493.db2.gz NWCMSOLTRKUANA-RTBURBONSA-N 2 0 342.487 1.869 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000659587061 452442656 /nfs/dbraw/zinc/44/26/56/452442656.db2.gz NIFLPXKJGQAWEZ-NJAFHUGGSA-N 2 0 346.475 1.664 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616138 452474103 /nfs/dbraw/zinc/47/41/03/452474103.db2.gz RXRYPABOINFLHJ-UHFFFAOYSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345611 452518516 /nfs/dbraw/zinc/51/85/16/452518516.db2.gz GPEYHKUSCAEVLR-WKULXVSPSA-N 2 0 337.508 1.900 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345476 452518605 /nfs/dbraw/zinc/51/86/05/452518605.db2.gz CKMALHVSCJAZFT-OTWHNJEPSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652345522 452518703 /nfs/dbraw/zinc/51/87/03/452518703.db2.gz DFWJENRLFSVJKR-FLXSYLCISA-N 2 0 337.508 1.709 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347662 452522519 /nfs/dbraw/zinc/52/25/19/452522519.db2.gz IDTBGKZBIQWLHV-YESZJQIVSA-N 2 0 341.496 1.138 20 0 EDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000647789784 452522601 /nfs/dbraw/zinc/52/26/01/452522601.db2.gz LKAQEGNRGIQXFV-VQHPVUNQSA-N 2 0 325.522 1.172 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2cccnc2)C1 ZINC000652362928 452543453 /nfs/dbraw/zinc/54/34/53/452543453.db2.gz SSKJZAUGIIOXAJ-ZACQAIPSSA-N 2 0 332.448 1.059 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCC2)c1 ZINC000659681245 452554714 /nfs/dbraw/zinc/55/47/14/452554714.db2.gz RTBXTDSETVGPBY-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)ccc1C[NH+](C)C ZINC000663881475 452605681 /nfs/dbraw/zinc/60/56/81/452605681.db2.gz CRCQILFGCMIAGB-NVXWUHKLSA-N 2 0 344.459 1.158 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000654529395 452609704 /nfs/dbraw/zinc/60/97/04/452609704.db2.gz IKYBSTRYYNXKEK-BRWVUGGUSA-N 2 0 337.533 1.947 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655911444 452668485 /nfs/dbraw/zinc/66/84/85/452668485.db2.gz JJHDBRWRVMFZJF-KGLIPLIRSA-N 2 0 344.381 1.840 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000661947060 452703461 /nfs/dbraw/zinc/70/34/61/452703461.db2.gz FCMXMXZKFKXVMW-OAHLLOKOSA-N 2 0 347.463 1.406 20 0 EDADRP CCc1nc(CNC(=O)NCCN(C)CCC[NH+](C)C)cs1 ZINC000664033861 452732918 /nfs/dbraw/zinc/73/29/18/452732918.db2.gz BGXHMBJFTAPJDQ-UHFFFAOYSA-N 2 0 327.498 1.388 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860673 452742403 /nfs/dbraw/zinc/74/24/03/452742403.db2.gz AYSQCQURTDGZSZ-GOSISDBHSA-N 2 0 327.513 1.122 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)CCO1 ZINC000648153004 452864847 /nfs/dbraw/zinc/86/48/47/452864847.db2.gz WZFPEIJPRKIHAO-QGZVFWFLSA-N 2 0 331.460 1.097 20 0 EDADRP [NH3+][C@H]1C[C@@H](C(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)C1 ZINC000648179158 452891372 /nfs/dbraw/zinc/89/13/72/452891372.db2.gz JBNUWLNSFSYWHS-GASCZTMLSA-N 2 0 331.464 1.320 20 0 EDADRP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCN1CCC2)C1CCCCC1 ZINC000652756657 452917796 /nfs/dbraw/zinc/91/77/96/452917796.db2.gz OHFGBHRLGGBYPF-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CN(C(=O)c3ccccc3)[C@H]3CCN2C3)C1 ZINC000656198167 452955419 /nfs/dbraw/zinc/95/54/19/452955419.db2.gz IJGHNFCOZIEHMD-YRXWBPOGSA-N 2 0 342.487 1.445 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977869 452965492 /nfs/dbraw/zinc/96/54/92/452965492.db2.gz MGFANRHYIPRTNT-FUHWJXTLSA-N 2 0 348.466 1.153 20 0 EDADRP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249385 452974694 /nfs/dbraw/zinc/97/46/94/452974694.db2.gz LVWVSZRGNREGNF-INIZCTEOSA-N 2 0 335.423 1.996 20 0 EDADRP O=C(c1cccc(F)c1)N1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250330 452974833 /nfs/dbraw/zinc/97/48/33/452974833.db2.gz FXJOXKQHMKEKLQ-KRWDZBQOSA-N 2 0 347.434 1.495 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccn1C1CC[NH2+]CC1 ZINC000645990578 452982217 /nfs/dbraw/zinc/98/22/17/452982217.db2.gz YBLGOHJBFYCUJM-UHFFFAOYSA-N 2 0 336.399 2.246 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CCCCCC1 ZINC000666605723 453003894 /nfs/dbraw/zinc/00/38/94/453003894.db2.gz FFULDFFSESLUSQ-UHFFFAOYSA-N 2 0 346.475 1.855 20 0 EDADRP CC(C)(CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000666603329 453004344 /nfs/dbraw/zinc/00/43/44/453004344.db2.gz FTJHWXPYVUXZMX-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP CC(C)(C)n1nnc(CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)n1 ZINC000662284568 453009189 /nfs/dbraw/zinc/00/91/89/453009189.db2.gz NLQJCNHSTUMOGG-ZNMIVQPWSA-N 2 0 336.484 1.331 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1)NCCOc1ccccc1 ZINC000662291845 453015158 /nfs/dbraw/zinc/01/51/58/453015158.db2.gz YDJIUJNWPSCELN-GOSISDBHSA-N 2 0 345.487 1.893 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCC[C@H](C)C1 ZINC000666627439 453020129 /nfs/dbraw/zinc/02/01/29/453020129.db2.gz QLASCDXXYLPQFX-UONOGXRCSA-N 2 0 332.448 1.320 20 0 EDADRP COCCOCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327267 453045024 /nfs/dbraw/zinc/04/50/24/453045024.db2.gz LMMKICAFHKZLLD-UHFFFAOYSA-N 2 0 336.480 1.719 20 0 EDADRP c1c([C@H]2CCC[N@@H+](CCOCC3CC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338977 453055107 /nfs/dbraw/zinc/05/51/07/453055107.db2.gz YGDIOHFEWONHOD-INIZCTEOSA-N 2 0 333.480 1.425 20 0 EDADRP C[N@H+](CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662356716 453070792 /nfs/dbraw/zinc/07/07/92/453070792.db2.gz UOGWYHZFMNYLSM-MRXNPFEDSA-N 2 0 341.459 1.739 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](CCCOc1ccc3c(c1)OCO3)CCO2 ZINC000646104524 453105575 /nfs/dbraw/zinc/10/55/75/453105575.db2.gz PLYUTKCJXDKHHG-UHFFFAOYSA-N 2 0 348.443 1.981 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000666757521 453122013 /nfs/dbraw/zinc/12/20/13/453122013.db2.gz ACRJGECRUPAPRB-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000664473729 453125460 /nfs/dbraw/zinc/12/54/60/453125460.db2.gz AJIBABUVXZGXGS-HYVNUMGLSA-N 2 0 340.512 1.394 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000666770520 453134137 /nfs/dbraw/zinc/13/41/37/453134137.db2.gz GOTKDWQKZRMOAX-KRWDZBQOSA-N 2 0 344.459 1.335 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000655027931 453151036 /nfs/dbraw/zinc/15/10/36/453151036.db2.gz GZIRMCKZIHCNHF-QYZOEREBSA-N 2 0 349.519 1.961 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000666830563 453174085 /nfs/dbraw/zinc/17/40/85/453174085.db2.gz AGSVVJMJCJZIPC-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)Nc1cccc(OCC[NH+](C)C)c1 ZINC000666831395 453176448 /nfs/dbraw/zinc/17/64/48/453176448.db2.gz BVQDAZAANYINLH-ZFWWWQNUSA-N 2 0 338.427 1.791 20 0 EDADRP c1c(CN2CC[NH2+]CC2)nnn1C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468637 453205720 /nfs/dbraw/zinc/20/57/20/453205720.db2.gz PUKGISHBTAQNBM-GOSISDBHSA-N 2 0 340.475 1.205 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)CC1 ZINC000656499059 453227843 /nfs/dbraw/zinc/22/78/43/453227843.db2.gz HJUCAJWQLGVLKV-SFHVURJKSA-N 3 0 343.519 1.809 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H](N)c2ccccc2Br)CC[NH2+]1 ZINC000662515695 453233426 /nfs/dbraw/zinc/23/34/26/453233426.db2.gz SCRSVEBMYRCYIY-KGLIPLIRSA-N 2 0 340.265 1.905 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[N@@H+]1C ZINC000648755799 453238126 /nfs/dbraw/zinc/23/81/26/453238126.db2.gz VYRHLAUGKPXFLO-TZMCWYRMSA-N 2 0 346.431 1.435 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000662524401 453243225 /nfs/dbraw/zinc/24/32/25/453243225.db2.gz WIBVAVCFDQULCV-LSDHHAIUSA-N 2 0 332.448 1.603 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000653109945 453296069 /nfs/dbraw/zinc/29/60/69/453296069.db2.gz SEUQHGKOVOIKMB-QGZVFWFLSA-N 2 0 332.492 1.219 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666977516 453297204 /nfs/dbraw/zinc/29/72/04/453297204.db2.gz BSIRAUCCFTUCLB-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000666978708 453299459 /nfs/dbraw/zinc/29/94/59/453299459.db2.gz BYYHMCVQRCWZDC-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)CC2)c1 ZINC000653117498 453305549 /nfs/dbraw/zinc/30/55/49/453305549.db2.gz NQHLOJNHJCFXRC-JKSUJKDBSA-N 2 0 330.432 1.269 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613388 453332308 /nfs/dbraw/zinc/33/23/08/453332308.db2.gz FADZOCSTURRAIG-OAHLLOKOSA-N 2 0 341.521 1.089 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662636265 453351211 /nfs/dbraw/zinc/35/12/11/453351211.db2.gz AWSLRFZVRORDAM-RTBURBONSA-N 2 0 342.487 1.940 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000662659081 453370803 /nfs/dbraw/zinc/37/08/03/453370803.db2.gz OBRGQLWRZVWNGU-MRXNPFEDSA-N 2 0 334.464 1.695 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)c1 ZINC000662676572 453395753 /nfs/dbraw/zinc/39/57/53/453395753.db2.gz YHUHCRXVBLHUQB-UHFFFAOYSA-N 2 0 346.431 1.739 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CC2CC1(C[NH3+])C2)c1ccc(Br)cc1 ZINC000662681874 453402913 /nfs/dbraw/zinc/40/29/13/453402913.db2.gz HTMNKOLRKCDKMI-CIQACWJJSA-N 2 0 338.249 1.573 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662694765 453416003 /nfs/dbraw/zinc/41/60/03/453416003.db2.gz CJJNRKRDEHRKTD-BZUAXINKSA-N 2 0 348.495 1.443 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH+](C)C)[C@@H]3C)cc2)CC1 ZINC000646475993 453423426 /nfs/dbraw/zinc/42/34/26/453423426.db2.gz MORYJCUOGDAMMT-QFBILLFUSA-N 2 0 344.503 1.993 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000653246923 453431467 /nfs/dbraw/zinc/43/14/67/453431467.db2.gz DLIZIZDXJWGHQV-RCCFBDPRSA-N 2 0 346.475 1.116 20 0 EDADRP [NH3+][C@@H](CCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000662708595 453432407 /nfs/dbraw/zinc/43/24/07/453432407.db2.gz NIPNNNVNLCICOL-MSOLQXFVSA-N 2 0 331.460 1.836 20 0 EDADRP C[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000660592681 453434500 /nfs/dbraw/zinc/43/45/00/453434500.db2.gz URWLBNAPCLKLGU-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000667151429 453440371 /nfs/dbraw/zinc/44/03/71/453440371.db2.gz KMYFREOSZQNHQD-INIZCTEOSA-N 2 0 348.495 1.688 20 0 EDADRP COCC1([NH2+]C/C=C/C[NH2+]C2(COC)CCOCC2)CCOCC1 ZINC000660634250 453476095 /nfs/dbraw/zinc/47/60/95/453476095.db2.gz KBHLBDWOXRZHAT-ONEGZZNKSA-N 2 0 342.480 1.113 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000662746623 453477190 /nfs/dbraw/zinc/47/71/90/453477190.db2.gz VFMSJUJSFUNOGE-VYDXJSESSA-N 2 0 348.495 1.395 20 0 EDADRP C[C@H]1Oc2ccccc2[C@H]1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664916591 453480733 /nfs/dbraw/zinc/48/07/33/453480733.db2.gz PZHJRJBBPMZFAV-PBHICJAKSA-N 2 0 334.464 1.691 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662749924 453481510 /nfs/dbraw/zinc/48/15/10/453481510.db2.gz IKQYPQLUJACAPN-QYZOEREBSA-N 2 0 345.487 1.721 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662758050 453496493 /nfs/dbraw/zinc/49/64/93/453496493.db2.gz QBDPAVXWGLUMKJ-UHFFFAOYSA-N 2 0 332.448 1.133 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)ccc1C[NH+](C)C ZINC000667266447 453526246 /nfs/dbraw/zinc/52/62/46/453526246.db2.gz YDDAFKMXTHTVIU-INIZCTEOSA-N 2 0 332.448 1.253 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000655449810 453536414 /nfs/dbraw/zinc/53/64/14/453536414.db2.gz QATSTURDZITHML-MJGOQNOKSA-N 2 0 348.535 1.443 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662821288 453551202 /nfs/dbraw/zinc/55/12/02/453551202.db2.gz XSQVPPQKKISHQL-OAHLLOKOSA-N 2 0 328.420 1.612 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831816 453556661 /nfs/dbraw/zinc/55/66/61/453556661.db2.gz CLWCTGWEOLTEPY-OALUTQOASA-N 2 0 343.471 1.414 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662831897 453558161 /nfs/dbraw/zinc/55/81/61/453558161.db2.gz SPOZIGCLRXGDOH-FHLIZLRMSA-N 2 0 329.444 1.791 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000662867433 453579646 /nfs/dbraw/zinc/57/96/46/453579646.db2.gz LJPVCNPZTPJIRJ-RTBURBONSA-N 2 0 344.503 1.276 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000659018133 453582671 /nfs/dbraw/zinc/58/26/71/453582671.db2.gz FCBSLBSFTOISRQ-AWEZNQCLSA-N 2 0 331.464 1.969 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCO1 ZINC000659023896 453586169 /nfs/dbraw/zinc/58/61/69/453586169.db2.gz SUDXJNNKOOFTIA-NEPJUHHUSA-N 2 0 340.390 1.018 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NCC1CC[NH+](CC2CC2)CC1)C(F)(F)F ZINC000659024034 453586669 /nfs/dbraw/zinc/58/66/69/453586669.db2.gz ULRUUJHZFNYVCY-ZDUSSCGKSA-N 2 0 336.402 1.687 20 0 EDADRP [NH3+][C@H]1C[C@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000662886933 453588448 /nfs/dbraw/zinc/58/84/48/453588448.db2.gz BEZTZXJKFKDBDF-WKILWMFISA-N 2 0 328.460 1.195 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041702 453596247 /nfs/dbraw/zinc/59/62/47/453596247.db2.gz KTVRRCIXPZWGEG-SJORKVTESA-N 2 0 332.448 1.905 20 0 EDADRP C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000660853215 453610419 /nfs/dbraw/zinc/61/04/19/453610419.db2.gz SBIYBTZEZNPAHL-RHSMWYFYSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660855070 453611963 /nfs/dbraw/zinc/61/19/63/453611963.db2.gz JERBGRMGBFPVBW-HNNXBMFYSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233386 453617246 /nfs/dbraw/zinc/61/72/46/453617246.db2.gz GOCFPXOQLIZWCU-NVXWUHKLSA-N 2 0 325.497 1.234 20 0 EDADRP CC[C@@H](C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)[NH+](CC)CC ZINC000662942492 453618272 /nfs/dbraw/zinc/61/82/72/453618272.db2.gz IKUMYNKPROWAIA-INIZCTEOSA-N 2 0 340.512 1.214 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H](F)[C@H]([NH3+])C3)CC2)c1 ZINC000662945046 453618991 /nfs/dbraw/zinc/61/89/91/453618991.db2.gz YHLUANWXXUNLJX-QZTJIDSGSA-N 2 0 348.466 1.405 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240675 453619846 /nfs/dbraw/zinc/61/98/46/453619846.db2.gz QDMJWEDCWIFMKY-KFKAGJAMSA-N 3 0 332.492 1.636 20 0 EDADRP COc1ccc(N2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])CC2=O)cc1 ZINC000665240289 453619914 /nfs/dbraw/zinc/61/99/14/453619914.db2.gz HKHFTZFCPHELBA-BQGCOEIASA-N 2 0 333.432 1.142 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972709 453630710 /nfs/dbraw/zinc/63/07/10/453630710.db2.gz RFBUIFQNFSJXQQ-SQGPQFPESA-N 2 0 349.519 1.757 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CCO1 ZINC000662971650 453630853 /nfs/dbraw/zinc/63/08/53/453630853.db2.gz CSVCZKQVNFOYCM-QGZVFWFLSA-N 2 0 331.460 1.052 20 0 EDADRP C[C@H](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000662973891 453631805 /nfs/dbraw/zinc/63/18/05/453631805.db2.gz XZAWVQKTQMKAEF-IKGGRYGDSA-N 2 0 325.497 1.581 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C12CCC2 ZINC000665287413 453635299 /nfs/dbraw/zinc/63/52/99/453635299.db2.gz KPWHWIXPJHQFOO-IRXDYDNUSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](Cn2cccn2)C(C)C)CC1 ZINC000665289881 453637373 /nfs/dbraw/zinc/63/73/73/453637373.db2.gz ZXESNKPRLKXYLM-KRWDZBQOSA-N 2 0 335.496 1.488 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CCOC)CC1 ZINC000665289616 453637396 /nfs/dbraw/zinc/63/73/96/453637396.db2.gz SPTYRLUCWOALKS-DOTOQJQBSA-N 2 0 325.497 1.772 20 0 EDADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291983 453638163 /nfs/dbraw/zinc/63/81/63/453638163.db2.gz PWHCIKSWBWNQHC-ZDUSSCGKSA-N 2 0 346.431 1.769 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657160968 453712601 /nfs/dbraw/zinc/71/26/01/453712601.db2.gz MVSGTLJNGGNQAF-HNNXBMFYSA-N 2 0 331.526 1.655 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000665557441 453748693 /nfs/dbraw/zinc/74/86/93/453748693.db2.gz VMEBHAOLPZKLMT-JYJNAYRXSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)nn1C)CN1CC[NH+](C)CC1 ZINC000657346851 453771363 /nfs/dbraw/zinc/77/13/63/453771363.db2.gz OWZUAFKMLGOHFM-GFCCVEGCSA-N 2 0 333.402 1.412 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)CC1 ZINC000657360193 453773919 /nfs/dbraw/zinc/77/39/19/453773919.db2.gz YVSJNLMJJXWWJO-INIZCTEOSA-N 3 0 340.475 1.525 20 0 EDADRP Cc1cc(CO)cc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1 ZINC000663423411 453793852 /nfs/dbraw/zinc/79/38/52/453793852.db2.gz VRJLRRAOTFKNSJ-UHFFFAOYSA-N 2 0 347.381 1.973 20 0 EDADRP COc1cccc(C2([NH2+]C[C@@H]3CCCN(C(=O)C[NH3+])C3)CCC2)c1 ZINC000663502177 453811555 /nfs/dbraw/zinc/81/15/55/453811555.db2.gz DHDSBKSIMYGYEG-HNNXBMFYSA-N 2 0 331.460 1.861 20 0 EDADRP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512948 453813430 /nfs/dbraw/zinc/81/34/30/453813430.db2.gz HXGBFEYGABJRSA-CVEARBPZSA-N 2 0 334.512 1.372 20 0 EDADRP C[C@H](CNC(=O)N[C@H](C)[C@H]1CN(C)CCO1)[NH+]1CCC(C)CC1 ZINC000676245325 486704736 /nfs/dbraw/zinc/70/47/36/486704736.db2.gz LODZVXWCESDEGI-BZUAXINKSA-N 2 0 326.485 1.125 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CCCOC2)CC1 ZINC000676405013 486758881 /nfs/dbraw/zinc/75/88/81/486758881.db2.gz GKQNBDGIJSMATO-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687314 486762230 /nfs/dbraw/zinc/76/22/30/486762230.db2.gz KQKAOGRCLAKMIO-GOEBONIOSA-N 2 0 334.468 1.535 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416978612 486790530 /nfs/dbraw/zinc/79/05/30/486790530.db2.gz VXUYWAOITLPWJI-CVEARBPZSA-N 2 0 334.464 1.696 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417292467 486796104 /nfs/dbraw/zinc/79/61/04/486796104.db2.gz XKUCGLFINTUGGC-HUUCEWRRSA-N 2 0 326.485 1.114 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)Nc2cccc3c2CC[NH2+]C3)cn1 ZINC000667753265 486949438 /nfs/dbraw/zinc/94/94/38/486949438.db2.gz YFTBOOVTUKNOFO-UHFFFAOYSA-N 2 0 328.420 1.734 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000667793501 486967557 /nfs/dbraw/zinc/96/75/57/486967557.db2.gz CSADMIUMXPSZDI-MRXNPFEDSA-N 2 0 329.448 1.819 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812805 486978135 /nfs/dbraw/zinc/97/81/35/486978135.db2.gz XIYUNAXLKMOVPF-INIZCTEOSA-N 2 0 348.491 1.969 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684193983 486978757 /nfs/dbraw/zinc/97/87/57/486978757.db2.gz CLTQSVLRMFUDNP-KURKYZTESA-N 2 0 346.523 1.415 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000667822600 486982918 /nfs/dbraw/zinc/98/29/18/486982918.db2.gz NZQWCQHWKNTTQP-MJGOQNOKSA-N 2 0 330.476 1.751 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@@H+]([C@H]3CC(=O)N(c4ccccc4)C3=O)C2)CC1 ZINC000677296891 487035807 /nfs/dbraw/zinc/03/58/07/487035807.db2.gz VJAHMHNFEQXFTK-WMZOPIPTSA-N 2 0 341.455 1.982 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1 ZINC000673531367 487050055 /nfs/dbraw/zinc/05/00/55/487050055.db2.gz RFTLEPUCRMPRCN-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C)[NH+](C)C)CC2)c1 ZINC000674245596 487222598 /nfs/dbraw/zinc/22/25/98/487222598.db2.gz RFYKLAXRJDWUJV-SFHVURJKSA-N 2 0 346.519 1.964 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CC1 ZINC000674326445 487238083 /nfs/dbraw/zinc/23/80/83/487238083.db2.gz BQRIDTLCELIHSY-IYBDPMFKSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H]1C[C@@H](N2CCOCC2)C[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000685441695 487275280 /nfs/dbraw/zinc/27/52/80/487275280.db2.gz LGYQVLUGWFHGOP-PKOBYXMFSA-N 2 0 347.503 1.922 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C)C1CC[NH+](C)CC1 ZINC000681970427 487268278 /nfs/dbraw/zinc/26/82/78/487268278.db2.gz UWOLDHZPQRFCHJ-LSDHHAIUSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2n1 ZINC000685540434 487293420 /nfs/dbraw/zinc/29/34/20/487293420.db2.gz DAADIAAAQZMAOJ-UHFFFAOYSA-N 2 0 343.475 1.922 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000678601382 487340478 /nfs/dbraw/zinc/34/04/78/487340478.db2.gz OOBMSKOHIFUILD-FRQCXROJSA-N 2 0 335.492 1.997 20 0 EDADRP CC[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000678756974 487360453 /nfs/dbraw/zinc/36/04/53/487360453.db2.gz SXOWFDBRPYQPBR-IAGOWNOFSA-N 2 0 349.475 1.107 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000682671971 487404054 /nfs/dbraw/zinc/40/40/54/487404054.db2.gz QWVKARNWVFDBAW-UHFFFAOYSA-N 2 0 337.489 1.653 20 0 EDADRP CN(CCC(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679407332 487422890 /nfs/dbraw/zinc/42/28/90/487422890.db2.gz KISZDYOESLTDMF-SFHVURJKSA-N 2 0 346.475 1.621 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000675763383 487442307 /nfs/dbraw/zinc/44/23/07/487442307.db2.gz LZXXBXLJUFLVNC-CJNGLKHVSA-N 2 0 325.478 1.308 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C(C)(C)O ZINC000683180463 487457880 /nfs/dbraw/zinc/45/78/80/487457880.db2.gz RVGJWQWIMDGZAT-UHFFFAOYSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCO1 ZINC000669552594 485546362 /nfs/dbraw/zinc/54/63/62/485546362.db2.gz CHBSHYLOFMBRKN-BFYDXBDKSA-N 2 0 334.464 1.265 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000669561089 485568666 /nfs/dbraw/zinc/56/86/66/485568666.db2.gz FYXVOBNSWSRUDW-FZCLSBEQSA-N 2 0 346.475 1.265 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)C[C@H](C)O1 ZINC000669121513 485701797 /nfs/dbraw/zinc/70/17/97/485701797.db2.gz ICFGVUCXTMOTRH-ZOSBBBERSA-N 2 0 346.475 1.610 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NCC3C[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000669121494 485701882 /nfs/dbraw/zinc/70/18/82/485701882.db2.gz FQAPVTSBTPCSMR-HUUCEWRRSA-N 2 0 346.475 1.314 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000669347617 485996052 /nfs/dbraw/zinc/99/60/52/485996052.db2.gz WJTYJILAHLLAJW-NVXWUHKLSA-N 2 0 333.480 1.012 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000353436298 486106567 /nfs/dbraw/zinc/10/65/67/486106567.db2.gz XTFACZIEZIBFSA-XYVMCAHJSA-N 2 0 337.508 1.628 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000669426286 486146505 /nfs/dbraw/zinc/14/65/05/486146505.db2.gz BVODVJVPGLIILS-IAGOWNOFSA-N 2 0 346.475 1.378 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669426256 486146854 /nfs/dbraw/zinc/14/68/54/486146854.db2.gz PNBOMNUEMQJCFT-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000669427257 486149441 /nfs/dbraw/zinc/14/94/41/486149441.db2.gz SVTXWBAPOPDLKX-YOEHRIQHSA-N 2 0 334.464 1.396 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)NC/C=C/C[NH3+])CCCCC2)CCO1 ZINC000669470862 486222776 /nfs/dbraw/zinc/22/27/76/486222776.db2.gz RZXFQUOFZGDWQP-VOTSOKGWSA-N 2 0 338.496 1.614 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000670504163 486598706 /nfs/dbraw/zinc/59/87/06/486598706.db2.gz AAJALSZLBJWPAM-HNNXBMFYSA-N 2 0 340.512 1.068 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683377302 491012825 /nfs/dbraw/zinc/01/28/25/491012825.db2.gz ZKSXXBALSSKWQF-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC1 ZINC000074102171 491013343 /nfs/dbraw/zinc/01/33/43/491013343.db2.gz WJFAUNKAGANLFO-LJQANCHMSA-N 2 0 344.503 1.357 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000173919081 533999647 /nfs/dbraw/zinc/99/96/47/533999647.db2.gz QURXGRLKDZWAAF-GJZGRUSLSA-N 2 0 336.484 1.687 20 0 EDADRP C[C@@H](C[NH2+]Cc1cncc(Br)c1)CN1CC[NH+](C)CC1 ZINC000186621018 534064985 /nfs/dbraw/zinc/06/49/85/534064985.db2.gz UZYYBOFZMSRYGZ-ZDUSSCGKSA-N 2 0 341.297 1.817 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000418929397 517580607 /nfs/dbraw/zinc/58/06/07/517580607.db2.gz COQCCHVTYFCDSS-MRXNPFEDSA-N 2 0 340.512 1.215 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([NH2+]C(C)C)CC2)C1 ZINC000171898706 528011692 /nfs/dbraw/zinc/01/16/92/528011692.db2.gz OPAPELIFFLIZGX-KRWDZBQOSA-N 2 0 340.512 1.515 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000187414727 528538851 /nfs/dbraw/zinc/53/88/51/528538851.db2.gz TVWBKFFQRDXBHQ-FUHWJXTLSA-N 2 0 348.491 1.120 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000187360855 528540876 /nfs/dbraw/zinc/54/08/76/528540876.db2.gz GMQDMLQGOBFAIQ-WMZOPIPTSA-N 2 0 348.491 1.263 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000236798132 535123687 /nfs/dbraw/zinc/12/36/87/535123687.db2.gz PDSPVUZTGQFYOM-MSOLQXFVSA-N 2 0 331.460 1.174 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000339496390 535184601 /nfs/dbraw/zinc/18/46/01/535184601.db2.gz BOBVURQPHZKGSW-GOSISDBHSA-N 2 0 332.492 1.895 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262164178 535315775 /nfs/dbraw/zinc/31/57/75/535315775.db2.gz VNNYOJXNEYBQEV-IBGZPJMESA-N 2 0 346.519 1.684 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[NH+](C)[C@H]2C)CC[N@@H+]1CCOC ZINC000345760631 535432028 /nfs/dbraw/zinc/43/20/28/535432028.db2.gz UYLUGATXJWZBEX-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1(C)C ZINC000262294789 535438041 /nfs/dbraw/zinc/43/80/41/535438041.db2.gz WKZAFAJZVXVUKK-WFXMFSGNSA-N 2 0 331.460 1.472 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000263769624 535602369 /nfs/dbraw/zinc/60/23/69/535602369.db2.gz MRTSWGDFKSIEAN-KRWDZBQOSA-N 2 0 346.519 1.894 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000237085061 535848136 /nfs/dbraw/zinc/84/81/36/535848136.db2.gz BQCDLXWFNQLYSS-MAUKXSAKSA-N 2 0 332.492 1.424 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261660021 535876687 /nfs/dbraw/zinc/87/66/87/535876687.db2.gz BDBZMIGTFMMSEE-WMLDXEAASA-N 2 0 334.464 1.626 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000262674250 535889621 /nfs/dbraw/zinc/88/96/21/535889621.db2.gz QRMTVZDAQROCQU-DLBZAZTESA-N 2 0 346.475 1.112 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000271661252 535903944 /nfs/dbraw/zinc/90/39/44/535903944.db2.gz DIZYBOJLDOCZLB-MRXNPFEDSA-N 2 0 340.489 1.336 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C1CCCCC1 ZINC000333824187 535984509 /nfs/dbraw/zinc/98/45/09/535984509.db2.gz IEGJKTTVINJKEP-FUHWJXTLSA-N 2 0 337.508 1.996 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262433777 536109221 /nfs/dbraw/zinc/10/92/21/536109221.db2.gz GBWUEPPOZGWWKU-AWEZNQCLSA-N 2 0 325.478 1.498 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000333459013 536136330 /nfs/dbraw/zinc/13/63/30/536136330.db2.gz GCJFABQTXXGLKN-CABCVRRESA-N 2 0 333.480 1.443 20 0 EDADRP COCCOc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)OCO2 ZINC000346813312 536601798 /nfs/dbraw/zinc/60/17/98/536601798.db2.gz AQRXJUYYLZUCNZ-IMJJTQAJSA-N 2 0 348.443 2.000 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000262349009 536666732 /nfs/dbraw/zinc/66/67/32/536666732.db2.gz UFMGDCBNYBBKSY-SJORKVTESA-N 2 0 333.476 1.549 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000249750953 536790190 /nfs/dbraw/zinc/79/01/90/536790190.db2.gz AVHJCNOZUBTURJ-BBWFWOEESA-N 2 0 342.528 1.620 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000759724226 580013141 /nfs/dbraw/zinc/01/31/41/580013141.db2.gz YZUKVMHLVUDJJD-UHFFFAOYSA-N 2 0 325.497 1.558 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CN2C[C@](C)(COC)CC2=O)CC1 ZINC000747456247 578349990 /nfs/dbraw/zinc/34/99/90/578349990.db2.gz GZEOKMQIXLBPIP-GOSISDBHSA-N 2 0 325.497 1.883 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760477838 580031667 /nfs/dbraw/zinc/03/16/67/580031667.db2.gz OZJDYFGAKHSVRR-MRXNPFEDSA-N 2 0 326.554 1.913 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760478427 580031732 /nfs/dbraw/zinc/03/17/32/580031732.db2.gz KBZSGXJVWUIVJC-GJZGRUSLSA-N 2 0 326.554 1.913 20 0 EDADRP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC1 ZINC000760558934 580033679 /nfs/dbraw/zinc/03/36/79/580033679.db2.gz FJAAYDMYVZSZFA-SFHVURJKSA-N 2 0 345.487 1.878 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN([C@@H]2CCC[NH+](C)C2)CC1)C(C)C ZINC000734667327 578828579 /nfs/dbraw/zinc/82/85/79/578828579.db2.gz YELIWWXQKXHNEX-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000737036832 579042513 /nfs/dbraw/zinc/04/25/13/579042513.db2.gz MCERPMKDPPFDET-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCCN3CCOC3=O)CC2)CC1 ZINC000761126080 580049096 /nfs/dbraw/zinc/04/90/96/580049096.db2.gz QHBWONSREIYTCF-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=CCCCO1 ZINC000746188479 579575626 /nfs/dbraw/zinc/57/56/26/579575626.db2.gz BJUBDWFASFIGPS-UHFFFAOYSA-N 2 0 330.432 1.404 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000746248436 579578498 /nfs/dbraw/zinc/57/84/98/579578498.db2.gz QWVVMBBZMDDGOL-UHFFFAOYSA-N 2 0 348.491 1.227 20 0 EDADRP CC(C)[C@@](C)(CNC(=O)OC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000749325435 579721807 /nfs/dbraw/zinc/72/18/07/579721807.db2.gz TXUOCEXDWSCHII-MAUKXSAKSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCC[NH+](C)C ZINC000749829013 579741428 /nfs/dbraw/zinc/74/14/28/579741428.db2.gz KQWTVBGLINDFDT-RDJZCZTQSA-N 2 0 334.533 1.923 20 0 EDADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000778224526 580459205 /nfs/dbraw/zinc/45/92/05/580459205.db2.gz CBTYJCNFZLHGBT-GDBMZVCRSA-N 2 0 327.469 1.290 20 0 EDADRP Cc1cc(C)n2c(C[NH2+]CCCN3CCC[N@@H+](C)CC3)cnc2n1 ZINC000771945321 580299183 /nfs/dbraw/zinc/29/91/83/580299183.db2.gz IOXFHJCJYKUXJF-UHFFFAOYSA-N 2 0 330.480 1.463 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1)N1CC[NH+](C)CC1 ZINC000786832926 580680647 /nfs/dbraw/zinc/68/06/47/580680647.db2.gz UJLRFBPLMIQSND-CVEARBPZSA-N 2 0 345.491 1.503 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000794375671 580889545 /nfs/dbraw/zinc/88/95/45/580889545.db2.gz SUMGZZFEUKSPRK-CVEARBPZSA-N 2 0 341.496 1.680 20 0 EDADRP C[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000794553040 580897463 /nfs/dbraw/zinc/89/74/63/580897463.db2.gz LAQWCMBEOBUGSR-VFSICIBPSA-N 2 0 341.496 1.819 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000799742578 581035770 /nfs/dbraw/zinc/03/57/70/581035770.db2.gz AUZQSQJSFWFKGI-UHFFFAOYSA-N 2 0 326.529 1.641 20 0 EDADRP C[C@@H]([NH2+]CCS(=O)(=O)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000800503735 581054225 /nfs/dbraw/zinc/05/42/25/581054225.db2.gz CVKYOUCGRQVSQU-MRXNPFEDSA-N 2 0 338.517 1.964 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000891816030 590634618 /nfs/dbraw/zinc/63/46/18/590634618.db2.gz JLRBZZFKADCJBM-INIZCTEOSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000891882184 590668375 /nfs/dbraw/zinc/66/83/75/590668375.db2.gz PZECFYFJVSIVNN-UHFFFAOYSA-N 2 0 342.487 1.924 20 0 EDADRP CN(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)ncn1 ZINC000893119979 590671635 /nfs/dbraw/zinc/67/16/35/590671635.db2.gz XONJWIZXCABSEG-MRXNPFEDSA-N 2 0 327.432 1.721 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000893190998 590702871 /nfs/dbraw/zinc/70/28/71/590702871.db2.gz HRYOXIVJMINQDN-INIZCTEOSA-N 2 0 344.503 1.869 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000893194756 590704978 /nfs/dbraw/zinc/70/49/78/590704978.db2.gz LEZUGUQSVPYWJB-UHFFFAOYSA-N 2 0 331.507 1.266 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@H]2CCCC[NH2+]2)c1 ZINC000891973667 590718557 /nfs/dbraw/zinc/71/85/57/590718557.db2.gz WRNVBUMNBRDSEY-NVXWUHKLSA-N 2 0 332.448 1.493 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000892031269 590759795 /nfs/dbraw/zinc/75/97/95/590759795.db2.gz UHINNTJXAKOOEX-QZTJIDSGSA-N 2 0 326.444 1.946 20 0 EDADRP Cc1ccc(CN2CCO[C@H](CNC(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000892033318 590762108 /nfs/dbraw/zinc/76/21/08/590762108.db2.gz DJBWFKQIWMRVRJ-MRXNPFEDSA-N 2 0 334.464 1.232 20 0 EDADRP COC(=O)c1sccc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000893359660 590802274 /nfs/dbraw/zinc/80/22/74/590802274.db2.gz BUSIAGNFAJFVPW-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000890851399 590813709 /nfs/dbraw/zinc/81/37/09/590813709.db2.gz QXJJYTWQMFYAPJ-UHFFFAOYSA-N 2 0 326.404 1.331 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000892129977 590814357 /nfs/dbraw/zinc/81/43/57/590814357.db2.gz FFYKPWIUQZMYDR-MRXNPFEDSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)[C@H](C)[NH3+] ZINC000892145144 590821399 /nfs/dbraw/zinc/82/13/99/590821399.db2.gz LBYRFMGNPKOKNE-CIRFHOKZSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@@H]1CN(Cc2c3c(nn2C)CCC3)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892151778 590825685 /nfs/dbraw/zinc/82/56/85/590825685.db2.gz BKRVPWIQLCPJKE-QAPCUYQASA-N 2 0 331.508 1.367 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892168999 590839558 /nfs/dbraw/zinc/83/95/58/590839558.db2.gz HUWMOFSEZYWBGR-BZSNNMDCSA-N 2 0 330.476 1.996 20 0 EDADRP Cn1ncc(CN2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1C1CC1 ZINC000892175901 590846023 /nfs/dbraw/zinc/84/60/23/590846023.db2.gz QJLCEGWJTDQBHO-INIZCTEOSA-N 2 0 331.464 1.036 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)C2CC3CC(C2)CC1C3 ZINC000892188657 590854845 /nfs/dbraw/zinc/85/48/45/590854845.db2.gz IUPGDASETLXOBU-YHVXMNOBSA-N 2 0 332.492 1.676 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000892190188 590856288 /nfs/dbraw/zinc/85/62/88/590856288.db2.gz VVSPSSUKCMJVOY-GYCLOXFMSA-N 2 0 334.508 1.957 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000892211729 590865245 /nfs/dbraw/zinc/86/52/45/590865245.db2.gz MDBFWCDPNBGBQZ-SJLPKXTDSA-N 2 0 332.492 1.943 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO)C(C)(C)C[NH+](C)C ZINC000893549694 590954022 /nfs/dbraw/zinc/95/40/22/590954022.db2.gz ZIAISUVKKMUTDC-XHSDSOJGSA-N 2 0 340.512 1.203 20 0 EDADRP C[N@H+](CCN1CCN(c2cc[nH+]cc2CO)CC1)Cc1ccccc1 ZINC000892335736 590963767 /nfs/dbraw/zinc/96/37/67/590963767.db2.gz VPQXULMGIIHQJC-UHFFFAOYSA-N 2 0 340.471 1.828 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892346419 590975746 /nfs/dbraw/zinc/97/57/46/590975746.db2.gz QTASDIFAOYBQFF-UHFFFAOYSA-N 2 0 334.464 1.052 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N2CCC(OCCC[NH3+])CC2)[NH2+]C1 ZINC000892383955 591004206 /nfs/dbraw/zinc/00/42/06/591004206.db2.gz IMBTXXCNQRCOAQ-AWEZNQCLSA-N 2 0 326.485 1.304 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccco1 ZINC000892410905 591016494 /nfs/dbraw/zinc/01/64/94/591016494.db2.gz DFUROPZHGWATBH-XHSDSOJGSA-N 2 0 334.464 1.866 20 0 EDADRP CN(C(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892412116 591017172 /nfs/dbraw/zinc/01/71/72/591017172.db2.gz PVQWAFQWBYHMST-HRBLRVMOSA-N 2 0 330.476 1.871 20 0 EDADRP CN1CCN([C@@H](C[NH2+]CC2CC[NH+](C)CC2)c2cccs2)CC1 ZINC000892421491 591021078 /nfs/dbraw/zinc/02/10/78/591021078.db2.gz LHKGYOSASUZTIC-KRWDZBQOSA-N 2 0 336.549 1.968 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892489139 591046726 /nfs/dbraw/zinc/04/67/26/591046726.db2.gz FCSLSGOBLYXTRH-OAHLLOKOSA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)Cc1ccccc1 ZINC000891348868 591054155 /nfs/dbraw/zinc/05/41/55/591054155.db2.gz QTFBPIYHASKSTK-KSZLIROESA-N 2 0 332.492 1.976 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000891364268 591061312 /nfs/dbraw/zinc/06/13/12/591061312.db2.gz TXORULOQOVUBFK-RYUDHWBXSA-N 2 0 335.477 1.296 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000891366765 591062866 /nfs/dbraw/zinc/06/28/66/591062866.db2.gz ZMNFWIAPNCJDDS-AWEZNQCLSA-N 2 0 328.460 1.616 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000891521951 591105692 /nfs/dbraw/zinc/10/56/92/591105692.db2.gz FRJIFVOYFQSMIC-SJORKVTESA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000891563920 591127627 /nfs/dbraw/zinc/12/76/27/591127627.db2.gz DXYWLCPKYQLAHW-JTNHKYCSSA-N 2 0 326.391 1.699 20 0 EDADRP COCCC1(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[NH2+]CC1 ZINC000891565179 591127964 /nfs/dbraw/zinc/12/79/64/591127964.db2.gz CIQMZYWPJNWVPG-HNNXBMFYSA-N 2 0 342.528 1.811 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccc1F ZINC000891565137 591128073 /nfs/dbraw/zinc/12/80/73/591128073.db2.gz LVQNMYLFXSHORT-DLBZAZTESA-N 2 0 334.439 1.923 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758595 591162268 /nfs/dbraw/zinc/16/22/68/591162268.db2.gz KOLDIWJPTABXIL-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCC1(C)C ZINC000892791095 591177501 /nfs/dbraw/zinc/17/75/01/591177501.db2.gz KFXNXKWVJUUJEV-QGZVFWFLSA-N 2 0 330.476 1.827 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000891671525 591178849 /nfs/dbraw/zinc/17/88/49/591178849.db2.gz XSQBLNBDXBDFBV-UONOGXRCSA-N 2 0 332.439 1.508 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891674327 591179479 /nfs/dbraw/zinc/17/94/79/591179479.db2.gz WXCKEARFFHFPGJ-ROUUACIJSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000892809243 591188897 /nfs/dbraw/zinc/18/88/97/591188897.db2.gz UMGSOWQFXYGEOF-MOPGFXCFSA-N 2 0 342.487 1.971 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891748507 591209499 /nfs/dbraw/zinc/20/94/99/591209499.db2.gz RSAVPYUOQCINFT-ROUUACIJSA-N 2 0 343.475 1.834 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879374 591214565 /nfs/dbraw/zinc/21/45/65/591214565.db2.gz NMJOIRUBCARWSC-STQMWFEESA-N 2 0 349.504 1.639 20 0 EDADRP OCc1c[nH+]ccc1NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000891769772 591218896 /nfs/dbraw/zinc/21/88/96/591218896.db2.gz MGMSNJVLLQGDJT-UHFFFAOYSA-N 2 0 340.471 1.616 20 0 EDADRP COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(F)F ZINC000894190743 591223244 /nfs/dbraw/zinc/22/32/44/591223244.db2.gz WYHLFSMXVLAQKL-LSDHHAIUSA-N 2 0 342.386 1.771 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000892924305 591226377 /nfs/dbraw/zinc/22/63/77/591226377.db2.gz UUTMKYNZCORUQA-INIZCTEOSA-N 2 0 337.512 1.022 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2C[NH+](C)C[C@H]21 ZINC000894234516 591240013 /nfs/dbraw/zinc/24/00/13/591240013.db2.gz UAMGQDCOJZUEGE-XGXHKWSGSA-N 2 0 342.487 1.852 20 0 EDADRP CN1CC[C@H]([NH2+]Cc2ccc(C[NH+](C)C)c3c2OC(F)(F)O3)C1 ZINC000894236541 591240300 /nfs/dbraw/zinc/24/03/00/591240300.db2.gz AWEJZRJLAQQNGE-ZDUSSCGKSA-N 2 0 327.375 1.863 20 0 EDADRP C[C@@H](C[NH2+]CC1CN(C(=O)OC(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000894239213 591241144 /nfs/dbraw/zinc/24/11/44/591241144.db2.gz YHOXDDCHDWHYLR-HNNXBMFYSA-N 2 0 340.512 1.326 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@H]3CC[NH+](C4CCCCC4)C3)C[C@]2(C)C1 ZINC000895803816 591276969 /nfs/dbraw/zinc/27/69/69/591276969.db2.gz GDUAGFSXAMKAFW-GJYPPUQNSA-N 2 0 334.508 1.987 20 0 EDADRP COCCN(CCOC)C1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000894422461 591311340 /nfs/dbraw/zinc/31/13/40/591311340.db2.gz JSJKKCLYZLCJNC-UHFFFAOYSA-N 2 0 327.513 1.387 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895957254 591312917 /nfs/dbraw/zinc/31/29/17/591312917.db2.gz ZDQOOHDWZQZGNC-SFHVURJKSA-N 2 0 335.492 1.478 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896122781 591355647 /nfs/dbraw/zinc/35/56/47/591355647.db2.gz PWWYJKGUIACSDL-LJQANCHMSA-N 2 0 345.487 1.817 20 0 EDADRP C[N@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894771123 591411399 /nfs/dbraw/zinc/41/13/99/591411399.db2.gz ZSGIMSUYXGVGDT-INIZCTEOSA-N 2 0 343.475 1.869 20 0 EDADRP C[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896291540 591416838 /nfs/dbraw/zinc/41/68/38/591416838.db2.gz CPYQCKLIZUGWHR-CRAIPNDOSA-N 2 0 331.460 1.344 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000898592356 591426526 /nfs/dbraw/zinc/42/65/26/591426526.db2.gz MBWHZRAVDSZNKC-OAHLLOKOSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898594892 591427530 /nfs/dbraw/zinc/42/75/30/591427530.db2.gz VQDDXSRQDOCQKM-UHFFFAOYSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2C[C@@H]3C[NH+](C)C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000894883708 591455883 /nfs/dbraw/zinc/45/58/83/591455883.db2.gz AESVIYFTJZBJNV-KANFNMMFSA-N 2 0 342.487 1.852 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000897514838 591514991 /nfs/dbraw/zinc/51/49/91/591514991.db2.gz AITRKUDRWPNABK-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000897515139 591515580 /nfs/dbraw/zinc/51/55/80/591515580.db2.gz JRTUQYPIPQXKCO-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000896625126 591552833 /nfs/dbraw/zinc/55/28/33/591552833.db2.gz UONQUHLRIFHAMY-UHFFFAOYSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)C[C@@H](C)O1 ZINC000727072933 591617889 /nfs/dbraw/zinc/61/78/89/591617889.db2.gz RPBVTOBTXZKHDZ-HUUCEWRRSA-N 2 0 344.569 1.538 20 0 EDADRP COc1cc(C[NH+](C)C)ccc1NC(=O)c1ccnn1CC[NH+](C)C ZINC000909477795 591622899 /nfs/dbraw/zinc/62/28/99/591622899.db2.gz UISUGCZVUJVYOT-UHFFFAOYSA-N 2 0 345.447 1.767 20 0 EDADRP COc1cc(C[NH+](C)C)ccc1NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000909478319 591623336 /nfs/dbraw/zinc/62/33/36/591623336.db2.gz WCWDDLLWCJMLQY-UHFFFAOYSA-N 2 0 334.464 1.189 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000899601357 591866744 /nfs/dbraw/zinc/86/67/44/591866744.db2.gz LVZVBOQMAMTNPB-CVEARBPZSA-N 2 0 340.537 1.188 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000899601359 591866851 /nfs/dbraw/zinc/86/68/51/591866851.db2.gz LVZVBOQMAMTNPB-HZPDHXFCSA-N 2 0 340.537 1.188 20 0 EDADRP [NH3+]CC(=O)Nc1cccc(-c2cn(C[C@@H]3CCCC[NH2+]C3)nn2)c1 ZINC000899741769 591928162 /nfs/dbraw/zinc/92/81/62/591928162.db2.gz QLMRFZPTXNHMJS-CYBMUJFWSA-N 2 0 328.420 1.232 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)c1 ZINC000900251925 591960738 /nfs/dbraw/zinc/96/07/38/591960738.db2.gz NZEJUHKOBYHYAI-HKUYNNGSSA-N 2 0 333.476 1.600 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316700 591976822 /nfs/dbraw/zinc/97/68/22/591976822.db2.gz BXQZDLZJRKOXJS-HUUCEWRRSA-N 2 0 330.476 1.732 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)C1 ZINC000902363865 591986942 /nfs/dbraw/zinc/98/69/42/591986942.db2.gz NZQXYKFSFDUQOA-RTBURBONSA-N 2 0 331.504 1.773 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1Cc2cc(Br)cnc2NC1=O ZINC000902455401 591999391 /nfs/dbraw/zinc/99/93/91/591999391.db2.gz LTGBAWBRNSMKIN-CABZTGNLSA-N 2 0 341.253 1.814 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CC[NH+](CC3CCCC3)CC2)C1 ZINC000900417455 592013331 /nfs/dbraw/zinc/01/33/31/592013331.db2.gz NTAKPHSQKAQIAI-IBGZPJMESA-N 2 0 337.508 1.604 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900426053 592014962 /nfs/dbraw/zinc/01/49/62/592014962.db2.gz YWNOBAWBZKLJOO-GOSISDBHSA-N 2 0 325.497 1.414 20 0 EDADRP [NH2+]=C(NOCc1ccn(C2CCCC2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902809115 592067912 /nfs/dbraw/zinc/06/79/12/592067912.db2.gz ANORLDQXCORTKR-JKSUJKDBSA-N 2 0 333.436 1.860 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900661700 592084790 /nfs/dbraw/zinc/08/47/90/592084790.db2.gz ZEYVBYRYSPTOKI-DAWZGUTISA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]31)C2 ZINC000903112777 592122999 /nfs/dbraw/zinc/12/29/99/592122999.db2.gz QKDHBTAGSZOGDD-JZSTXODBSA-N 2 0 334.504 1.869 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000903234893 592146244 /nfs/dbraw/zinc/14/62/44/592146244.db2.gz QVYPLESILFGZHB-QUSNUVHPSA-N 2 0 343.537 1.557 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000900853285 592147839 /nfs/dbraw/zinc/14/78/39/592147839.db2.gz MBDFBPDKVDCICL-MRXNPFEDSA-N 2 0 333.480 1.393 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CC[NH3+] ZINC000903498673 592179009 /nfs/dbraw/zinc/17/90/09/592179009.db2.gz AQBSAOYCWGINST-NXHRZFHOSA-N 3 0 332.492 1.322 20 0 EDADRP CC(C)(C)c1nc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)no1 ZINC000903510937 592190495 /nfs/dbraw/zinc/19/04/95/592190495.db2.gz VCKMPXDPIHIQBF-GASCZTMLSA-N 2 0 333.480 1.768 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000906649292 592233857 /nfs/dbraw/zinc/23/38/57/592233857.db2.gz BUALCXCTFKHIFX-CQSZACIVSA-N 2 0 330.432 1.028 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906649249 592234088 /nfs/dbraw/zinc/23/40/88/592234088.db2.gz BDJHKDQTNRSCJJ-OAHLLOKOSA-N 2 0 332.448 1.419 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000906651701 592235966 /nfs/dbraw/zinc/23/59/66/592235966.db2.gz UVMKNTUFUKVWOH-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP [NH3+]CCN1CCC([NH2+]CCc2nc(-c3ccccn3)cs2)CC1 ZINC000904367974 592239137 /nfs/dbraw/zinc/23/91/37/592239137.db2.gz LNJFZZRXXOSIKU-UHFFFAOYSA-N 2 0 331.489 1.760 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C3CC(C[NH3+])C3)cc2)C[C@@H](C)O1 ZINC000904366687 592242387 /nfs/dbraw/zinc/24/23/87/592242387.db2.gz OXZMEMIALARDED-PYORFJLXSA-N 2 0 331.460 1.763 20 0 EDADRP Cn1cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c(-c2ccncc2)n1 ZINC000904392542 592243115 /nfs/dbraw/zinc/24/31/15/592243115.db2.gz SNGYXPGJOLSVQZ-QGZVFWFLSA-N 2 0 341.459 1.812 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC[N@@H+](C2CC2)C1 ZINC000906667160 592248829 /nfs/dbraw/zinc/24/88/29/592248829.db2.gz CVYOQKNIUKBWBX-ZDUSSCGKSA-N 2 0 330.432 1.027 20 0 EDADRP CCc1noc([C@@H]2CC[C@H]([NH2+]C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904428206 592254086 /nfs/dbraw/zinc/25/40/86/592254086.db2.gz GOQZRZCZUZRGJD-MCIONIFRSA-N 2 0 335.452 1.055 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)CC[C@@H]21 ZINC000906680916 592261883 /nfs/dbraw/zinc/26/18/83/592261883.db2.gz RGJORXBINONALF-BBRMVZONSA-N 2 0 344.459 1.372 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]2C[C@H]([NH2+]C[C@@H](C[NH3+])Cc3cnn(C)c3C)[C@H]2C1 ZINC000904474547 592268499 /nfs/dbraw/zinc/26/84/99/592268499.db2.gz VJKBQDRWRYRNJX-VJDWVQAOSA-N 2 0 334.464 1.023 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000901161829 592272247 /nfs/dbraw/zinc/27/22/47/592272247.db2.gz ILNXYMMTGWUOJS-ZKXLYKBJSA-N 2 0 335.492 1.713 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000901170324 592274957 /nfs/dbraw/zinc/27/49/57/592274957.db2.gz AFKQLAIFHFBUTR-DKSSEZFCSA-N 2 0 346.475 1.178 20 0 EDADRP O=C1CCCCN1CC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903733236 592280802 /nfs/dbraw/zinc/28/08/02/592280802.db2.gz JBSDVKBOKGBLOA-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP CCN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H](C)CS(=O)(=O)CC ZINC000903730802 592287346 /nfs/dbraw/zinc/28/73/46/592287346.db2.gz ZJRXDCFVKWJQNK-LSDHHAIUSA-N 2 0 332.510 1.290 20 0 EDADRP c1ccc(OCCN2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903732793 592288438 /nfs/dbraw/zinc/28/84/38/592288438.db2.gz HOKYXYNFCXQTFO-VQTJNVASSA-N 2 0 345.487 1.452 20 0 EDADRP c1csc(N2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903738119 592300699 /nfs/dbraw/zinc/30/06/99/592300699.db2.gz XXQUAICTFDQLNZ-OAHLLOKOSA-N 2 0 336.505 1.814 20 0 EDADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000903740388 592303585 /nfs/dbraw/zinc/30/35/85/592303585.db2.gz VINUOACZLDABOL-GOSISDBHSA-N 2 0 337.508 1.189 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903760990 592307665 /nfs/dbraw/zinc/30/76/65/592307665.db2.gz MKXGYWUBFAADRY-MGPQQGTHSA-N 2 0 347.385 1.874 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4CCCC[C@@H]4[NH3+])n3)c2)CC1 ZINC000904672433 592309766 /nfs/dbraw/zinc/30/97/66/592309766.db2.gz NEVGTMABBRNBGR-CABCVRRESA-N 2 0 342.447 1.868 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793357 592315905 /nfs/dbraw/zinc/31/59/05/592315905.db2.gz BESBZVVSMGSYBC-CQSZACIVSA-N 2 0 332.448 1.213 20 0 EDADRP CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)Cc1cnc[nH]1 ZINC000908102546 592319792 /nfs/dbraw/zinc/31/97/92/592319792.db2.gz LUEPMIFQZAJMGC-WMZOPIPTSA-N 2 0 328.416 1.483 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764824 592321279 /nfs/dbraw/zinc/32/12/79/592321279.db2.gz JCSVYWHXAMZYMA-LJQANCHMSA-N 2 0 344.459 1.084 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C(=O)N(CC[NH2+]C)C(C)C)CC1 ZINC000903809459 592330002 /nfs/dbraw/zinc/33/00/02/592330002.db2.gz SWOMBSKXLHHUAC-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP C/C(=C/C(=O)N1CC([N@H+](C)Cc2ccccc2)C1)CN1CCOCC1 ZINC000908120831 592332712 /nfs/dbraw/zinc/33/27/12/592332712.db2.gz XHCRXYKFORCAGY-ATVHPVEESA-N 2 0 343.471 1.608 20 0 EDADRP [NH3+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000903850486 592344879 /nfs/dbraw/zinc/34/48/79/592344879.db2.gz SAYSCPBRMVESMU-KKUMJFAQSA-N 2 0 327.428 1.874 20 0 EDADRP CCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903889642 592350947 /nfs/dbraw/zinc/35/09/47/592350947.db2.gz UUGZWUGSMRFVOT-CVEARBPZSA-N 2 0 335.496 1.084 20 0 EDADRP COc1cc(C[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)ccc1O ZINC000903877904 592358836 /nfs/dbraw/zinc/35/88/36/592358836.db2.gz CVQUIVMCMTXJDH-HNNXBMFYSA-N 2 0 332.448 1.692 20 0 EDADRP COc1cccc2c1CC[C@H]2[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919510 592376829 /nfs/dbraw/zinc/37/68/29/592376829.db2.gz DHEIBYZJEPKBHI-CXAGYDPISA-N 2 0 327.432 1.988 20 0 EDADRP O=c1[nH]c2ccccc2n1CC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903927361 592380465 /nfs/dbraw/zinc/38/04/65/592380465.db2.gz XQXOHYORZTWWBJ-ZDUSSCGKSA-N 2 0 341.419 1.048 20 0 EDADRP COc1ccc(CC[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1OC ZINC000903926451 592380623 /nfs/dbraw/zinc/38/06/23/592380623.db2.gz SGPCDZVPYRBALB-MRXNPFEDSA-N 2 0 346.475 1.695 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cnn1C ZINC000903932700 592384890 /nfs/dbraw/zinc/38/48/90/592384890.db2.gz FLGMRXFAFAVOKS-KXBFYZLASA-N 2 0 343.475 1.619 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C1(O)CCOCC1 ZINC000905027256 592385837 /nfs/dbraw/zinc/38/58/37/592385837.db2.gz QCEIULMFSPVUQV-SFHVURJKSA-N 2 0 334.460 1.274 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC2 ZINC000903934442 592386531 /nfs/dbraw/zinc/38/65/31/592386531.db2.gz HLIAIBBUFPTRHL-INIZCTEOSA-N 3 0 332.496 1.510 20 0 EDADRP COc1cccc2c1OC[C@@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903937185 592387831 /nfs/dbraw/zinc/38/78/31/592387831.db2.gz DMJAFFOKFCWGTB-LSDHHAIUSA-N 2 0 343.431 1.305 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903947788 592394370 /nfs/dbraw/zinc/39/43/70/592394370.db2.gz HVNDFNLGYBEEGD-QGZVFWFLSA-N 2 0 334.512 1.901 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cn1 ZINC000903977334 592399837 /nfs/dbraw/zinc/39/98/37/592399837.db2.gz PDTZRGWTHBKQNA-DAYGRLMNSA-N 2 0 332.448 1.250 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CC1(CO)CCCC1)N1CC[NH+](C)CC1 ZINC000905111185 592411829 /nfs/dbraw/zinc/41/18/29/592411829.db2.gz QKJOJKVLNSJLPJ-ZWKOTPCHSA-N 2 0 341.540 1.152 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905143598 592435741 /nfs/dbraw/zinc/43/57/41/592435741.db2.gz CMUXPJHOOCHMDP-SFHVURJKSA-N 2 0 334.460 1.009 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905147039 592437647 /nfs/dbraw/zinc/43/76/47/592437647.db2.gz PFNNVYJNYXTYKM-MSOLQXFVSA-N 2 0 326.481 1.276 20 0 EDADRP O[C@H](C[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000905173445 592453805 /nfs/dbraw/zinc/45/38/05/592453805.db2.gz HKQXCVPUZLTQKB-ZGXWSNOMSA-N 2 0 348.487 1.438 20 0 EDADRP OCC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CCCC1 ZINC000905176005 592455568 /nfs/dbraw/zinc/45/55/68/592455568.db2.gz PLFCHYBARRBDLH-OKZBNKHCSA-N 2 0 340.508 1.258 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)cc1 ZINC000905376043 592519458 /nfs/dbraw/zinc/51/94/58/592519458.db2.gz IOVYNFYYBPRNBY-UHFFFAOYSA-N 2 0 346.519 1.638 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)C2)[C@H]1C(C)C ZINC000905504038 592546722 /nfs/dbraw/zinc/54/67/22/592546722.db2.gz VUCFZZWWOOQGEJ-JARUQAPTSA-N 2 0 338.414 1.759 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397489 592626230 /nfs/dbraw/zinc/62/62/30/592626230.db2.gz BIZLHLFPDAIBTH-APWZRJJASA-N 2 0 344.503 1.117 20 0 EDADRP C[C@](O)(C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000905877584 592677948 /nfs/dbraw/zinc/67/79/48/592677948.db2.gz RQZQKOHJYJKNBG-KRWDZBQOSA-N 2 0 327.419 1.410 20 0 EDADRP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000907526500 592688362 /nfs/dbraw/zinc/68/83/62/592688362.db2.gz QHTNBSBFSYHUPX-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)CN1CCO[C@@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905937967 592689291 /nfs/dbraw/zinc/68/92/91/592689291.db2.gz NMFSSRMRDBSRRJ-SJORKVTESA-N 2 0 328.497 1.237 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000907635193 592735312 /nfs/dbraw/zinc/73/53/12/592735312.db2.gz NMAHHRMPPBALSO-LJQANCHMSA-N 2 0 333.476 1.254 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2CN(C)CC[N@H+](C)C2)C1 ZINC000906206621 592758872 /nfs/dbraw/zinc/75/88/72/592758872.db2.gz DTHNNUBKRYXAKC-IRXDYDNUSA-N 2 0 338.540 1.354 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000906440321 592818893 /nfs/dbraw/zinc/81/88/93/592818893.db2.gz DWNXUWDIEDAKSS-ZWKOTPCHSA-N 2 0 337.508 1.822 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000907921336 592846537 /nfs/dbraw/zinc/84/65/37/592846537.db2.gz KOYRQQVZNODCDQ-MRXNPFEDSA-N 2 0 346.475 1.861 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000906658321 592865136 /nfs/dbraw/zinc/86/51/36/592865136.db2.gz XQXHRXHNRGAFII-IUODEOHRSA-N 2 0 332.448 1.227 20 0 EDADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)[NH+]1CCCCC1 ZINC000911244634 592966746 /nfs/dbraw/zinc/96/67/46/592966746.db2.gz ZNPQGUXFDCCCGB-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000911270206 592972521 /nfs/dbraw/zinc/97/25/21/592972521.db2.gz IYBKNDOLDAMNPU-UHFFFAOYSA-N 2 0 338.496 1.016 20 0 EDADRP [NH3+][C@H]1CCc2cc(C(=O)N(C3CC3)C3CC[NH2+]CC3)ccc2NC1=O ZINC000911678722 592980268 /nfs/dbraw/zinc/98/02/68/592980268.db2.gz UTRCEWVROVIHHO-INIZCTEOSA-N 2 0 342.443 1.255 20 0 EDADRP [NH3+][C@@H](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1cc(F)c(F)cc1F ZINC000911703159 592991002 /nfs/dbraw/zinc/99/10/02/592991002.db2.gz CGWPQQHEOSKHFY-FKJOKYEKSA-N 2 0 341.377 1.763 20 0 EDADRP CC1([NH+]2CCC2)CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000911312702 592997047 /nfs/dbraw/zinc/99/70/47/592997047.db2.gz KTOACIHVCOHBFW-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000911915098 593036472 /nfs/dbraw/zinc/03/64/72/593036472.db2.gz LUZLOZXJOUFBMR-HXUWFJFHSA-N 2 0 344.503 1.261 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N(CCO)C1CC[NH+](C)CC1)c1ccccc1 ZINC000911942668 593037071 /nfs/dbraw/zinc/03/70/71/593037071.db2.gz IHVDESZMNRIMHK-GOSISDBHSA-N 2 0 333.476 1.595 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)c2ccccc2o1 ZINC000103211312 593220793 /nfs/dbraw/zinc/22/07/93/593220793.db2.gz QXDSUSVJTSAPNS-UHFFFAOYSA-N 2 0 331.416 1.358 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000806320270 593438759 /nfs/dbraw/zinc/43/87/59/593438759.db2.gz ZZRUGOAEVNGTSX-UHFFFAOYSA-N 2 0 336.484 1.784 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817893782 593645966 /nfs/dbraw/zinc/64/59/66/593645966.db2.gz VRFKIMVQJAJIIO-GOEBONIOSA-N 2 0 325.478 1.084 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](O)c2ccsc2)CC[NH2+]CC1 ZINC000817896806 593646856 /nfs/dbraw/zinc/64/68/56/593646856.db2.gz UTJIBAZYACMUCR-OCCSQVGLSA-N 2 0 326.462 1.693 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CSCCS2)CC[NH2+]CC1 ZINC000817900779 593647006 /nfs/dbraw/zinc/64/70/06/593647006.db2.gz WFVZIWYHDPAMFG-OLZOCXBDSA-N 2 0 332.535 1.746 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)c2cccs2)CC[NH2+]CC1 ZINC000817912430 593647876 /nfs/dbraw/zinc/64/78/76/593647876.db2.gz GUYGYSULNLCBKF-XJKSGUPXSA-N 2 0 340.489 1.867 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817935568 593650299 /nfs/dbraw/zinc/65/02/99/593650299.db2.gz IYINKYDCZWKGCF-GFCCVEGCSA-N 2 0 327.270 1.790 20 0 EDADRP COCC1(C[NH2+][C@@H](C)c2ccc(N3CCNC3=O)cc2)CC[NH2+]CC1 ZINC000817974033 593652705 /nfs/dbraw/zinc/65/27/05/593652705.db2.gz IGTHDLMVBIBJFC-HNNXBMFYSA-N 2 0 346.475 1.883 20 0 EDADRP CON(C)C(=O)CC[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000818953882 593730139 /nfs/dbraw/zinc/73/01/39/593730139.db2.gz RDBRIKNUXRCDJX-GOSISDBHSA-N 2 0 348.491 1.365 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000818984491 593732131 /nfs/dbraw/zinc/73/21/31/593732131.db2.gz ISPNHPOLZOSNLT-KRWDZBQOSA-N 2 0 333.407 1.984 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3-c3nn[nH]n3)CC[C@@H]21 ZINC000821624959 593885834 /nfs/dbraw/zinc/88/58/34/593885834.db2.gz BHAHLOXUAYJTIB-HOCLYGCPSA-N 2 0 342.447 1.662 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821625358 593887311 /nfs/dbraw/zinc/88/73/11/593887311.db2.gz LUTLKUYLGQPGDA-UHFFFAOYSA-N 2 0 335.481 1.045 20 0 EDADRP COCc1nc2n(n1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CC2 ZINC000820823815 593898414 /nfs/dbraw/zinc/89/84/14/593898414.db2.gz PKESPQMYSJWCGJ-WYQXTGKHSA-N 2 0 331.464 1.487 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH+]2CCC(C[NH+]3CCOCC3)CC2)C1(F)F ZINC000820856085 593907086 /nfs/dbraw/zinc/90/70/86/593907086.db2.gz IVSUDLLYXSTVIA-KBPBESRZSA-N 2 0 332.391 1.085 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821160789 593979276 /nfs/dbraw/zinc/97/92/76/593979276.db2.gz QFOAXTPPZHXSKT-HNNXBMFYSA-N 2 0 344.463 1.909 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824594145 594044623 /nfs/dbraw/zinc/04/46/23/594044623.db2.gz WXEFUFNYIQNOHQ-AWEZNQCLSA-N 2 0 329.452 1.155 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000824796402 594076100 /nfs/dbraw/zinc/07/61/00/594076100.db2.gz CDOISQFSCSPBSU-GOSISDBHSA-N 2 0 346.475 1.609 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@H]4C[C@@]45CC[NH2+]C5)n3)c2)CC1 ZINC000822980899 594131593 /nfs/dbraw/zinc/13/15/93/594131593.db2.gz QHIZQIJXKKAPEK-RDTXWAMCSA-N 2 0 340.431 1.350 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)[C@@H](C)C1 ZINC000825451119 594186800 /nfs/dbraw/zinc/18/68/00/594186800.db2.gz FWZIGKNQZVLOLD-BBRMVZONSA-N 2 0 330.436 1.565 20 0 EDADRP CC[C@@H](CO)[N@H+](C)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000830344581 594379434 /nfs/dbraw/zinc/37/94/34/594379434.db2.gz WWAUFIPMXJPKET-KRWDZBQOSA-N 2 0 348.491 1.470 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCCCC1)[C@H]1C[NH+]2CCN1CCC2 ZINC000826667969 594550521 /nfs/dbraw/zinc/55/05/21/594550521.db2.gz RFJLJLFNTVATCM-QZTJIDSGSA-N 2 0 334.508 1.290 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000826685022 594554978 /nfs/dbraw/zinc/55/49/78/594554978.db2.gz DTWLRFPCCJAKMV-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@H]21 ZINC000827277557 594658156 /nfs/dbraw/zinc/65/81/56/594658156.db2.gz MSMGNPPFRIJKPV-RBUKOAKNSA-N 2 0 327.472 1.987 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000827462340 594674629 /nfs/dbraw/zinc/67/46/29/594674629.db2.gz MZQKMSOCRUKQQG-ZACQAIPSSA-N 2 0 336.524 1.486 20 0 EDADRP C[C@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000840745713 594814335 /nfs/dbraw/zinc/81/43/35/594814335.db2.gz OFHWDBKEGAXZSM-ZBFHGGJFSA-N 2 0 325.884 1.469 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC[NH2+]1 ZINC000841098631 594850743 /nfs/dbraw/zinc/85/07/43/594850743.db2.gz YQNYYQRIIVLTKD-WCQYABFASA-N 2 0 339.452 1.229 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000841100401 594850944 /nfs/dbraw/zinc/85/09/44/594850944.db2.gz XOVMZKYBZQQRAD-MJGOQNOKSA-N 2 0 347.459 1.269 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2[NH2+]CCc3ccccc32)cn1 ZINC000841132832 594856529 /nfs/dbraw/zinc/85/65/29/594856529.db2.gz VFWQKDKBRBWSCS-QGZVFWFLSA-N 2 0 342.447 1.453 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000841386213 594890988 /nfs/dbraw/zinc/89/09/88/594890988.db2.gz IJWQKLSGXHARFH-RTBURBONSA-N 2 0 343.471 1.414 20 0 EDADRP COCC1(CNC(=O)NC[C@@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000841726937 594944127 /nfs/dbraw/zinc/94/41/27/594944127.db2.gz WDKCIBGWDUQLPI-OAHLLOKOSA-N 2 0 326.485 1.176 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841791021 594953277 /nfs/dbraw/zinc/95/32/77/594953277.db2.gz LRNQGFNDGAXGQU-SJORKVTESA-N 2 0 338.496 1.461 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000841926748 594983087 /nfs/dbraw/zinc/98/30/87/594983087.db2.gz DWTCFHMQLSONPH-MSOLQXFVSA-N 2 0 330.476 1.719 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932518 594984801 /nfs/dbraw/zinc/98/48/01/594984801.db2.gz FADOMCBNXSKMEG-MAUKXSAKSA-N 2 0 330.476 1.956 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)CC[N@@H+]1C ZINC000843334096 595077926 /nfs/dbraw/zinc/07/79/26/595077926.db2.gz FSTKVUQYNKTAKO-QLFBSQMISA-N 2 0 345.443 1.874 20 0 EDADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000843341133 595079928 /nfs/dbraw/zinc/07/99/28/595079928.db2.gz ABCNUVAJUAFWSW-IXDOHACOSA-N 2 0 337.489 1.084 20 0 EDADRP C[NH2+]C[C@@H]1CCCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347065 595082341 /nfs/dbraw/zinc/08/23/41/595082341.db2.gz SJRIRBMSNABATI-RYUDHWBXSA-N 2 0 331.420 1.527 20 0 EDADRP C[N@H+](CC(=O)Nc1ccc2c(c1)OCCCO2)C1CCC([NH3+])CC1 ZINC000843353797 595084731 /nfs/dbraw/zinc/08/47/31/595084731.db2.gz KFHRBEXXETVDGX-UHFFFAOYSA-N 2 0 333.432 1.988 20 0 EDADRP C[N@H+](CC(=O)NCCCN1CCCCCC1=O)C1CCC([NH3+])CC1 ZINC000843354712 595085501 /nfs/dbraw/zinc/08/55/01/595085501.db2.gz DJJPQUUWQZSUJN-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843489508 595128101 /nfs/dbraw/zinc/12/81/01/595128101.db2.gz GCBFNWNBKOAQIS-NXHRZFHOSA-N 2 0 331.460 1.392 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)NCc2ccc(C[NH3+])cc2F)cc1 ZINC000846170466 595164163 /nfs/dbraw/zinc/16/41/63/595164163.db2.gz ODWRQQMHJOEHKC-UHFFFAOYSA-N 2 0 330.407 1.785 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cnc1Cl ZINC000843046793 595273197 /nfs/dbraw/zinc/27/31/97/595273197.db2.gz CMTSIEXAIGNCIP-HNNXBMFYSA-N 2 0 336.867 1.687 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1)[C@@H]1CCC[NH2+]1 ZINC000843057059 595276451 /nfs/dbraw/zinc/27/64/51/595276451.db2.gz FWUVIICZEJKYSK-LPHOPBHVSA-N 2 0 343.471 1.797 20 0 EDADRP COc1cccc([C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000844165895 595288826 /nfs/dbraw/zinc/28/88/26/595288826.db2.gz QFRGHPLYUWIGGD-SJORKVTESA-N 2 0 335.448 1.183 20 0 EDADRP CC(C)[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000844172724 595291412 /nfs/dbraw/zinc/29/14/12/595291412.db2.gz WOADHLUOJOEVEF-DLBZAZTESA-N 2 0 325.497 1.628 20 0 EDADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183148 595294940 /nfs/dbraw/zinc/29/49/40/595294940.db2.gz UJJKKQCPXJNBNR-OAHLLOKOSA-N 2 0 341.402 1.835 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000844188814 595297563 /nfs/dbraw/zinc/29/75/63/595297563.db2.gz CZOJKJNSCSQBJY-CABCVRRESA-N 2 0 333.432 1.111 20 0 EDADRP C[C@@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000844189703 595297610 /nfs/dbraw/zinc/29/76/10/595297610.db2.gz SJSBFGXHKYFBON-MJGOQNOKSA-N 2 0 345.487 1.878 20 0 EDADRP Cc1ccc(N2CCN(C(=O)[C@@H](N)CC[NH+](C)C)[C@@H](C)C2)cc1C ZINC000846673837 595297987 /nfs/dbraw/zinc/29/79/87/595297987.db2.gz SATWSGRCSSJPPF-WMZOPIPTSA-N 2 0 332.492 1.620 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000848393601 595373091 /nfs/dbraw/zinc/37/30/91/595373091.db2.gz HTEHHKABMSNIBT-UHFFFAOYSA-N 2 0 331.416 1.676 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000847406180 595412337 /nfs/dbraw/zinc/41/23/37/595412337.db2.gz BKESPEGAQXDYJQ-IPMKNSEASA-N 2 0 343.471 1.488 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000849002531 595474007 /nfs/dbraw/zinc/47/40/07/595474007.db2.gz KOESKZLRDSIWER-OAHLLOKOSA-N 2 0 346.475 1.905 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849495931 595550283 /nfs/dbraw/zinc/55/02/83/595550283.db2.gz GXQHVZKTDQSJOE-HYVNUMGLSA-N 2 0 335.496 1.300 20 0 EDADRP C[C@@H]1C[N@@H+](C)C[C@H](C)N1C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849567935 595572833 /nfs/dbraw/zinc/57/28/33/595572833.db2.gz KVEMXNDHPPPFCJ-HDEZJCGLSA-N 2 0 333.480 1.006 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865910 595585728 /nfs/dbraw/zinc/58/57/28/595585728.db2.gz CADFYKHMKITKGN-XJKSGUPXSA-N 2 0 330.432 1.432 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597254 595586545 /nfs/dbraw/zinc/58/65/45/595586545.db2.gz RQVFSHNTLAEKNR-MXASKKJJSA-N 2 0 333.480 1.006 20 0 EDADRP C[NH+]1CCC(CNC(=S)NCC2CC[NH+](CC3CC3)CC2)CC1 ZINC000853052030 595650122 /nfs/dbraw/zinc/65/01/22/595650122.db2.gz VLUCTDKAIGSMGO-UHFFFAOYSA-N 2 0 338.565 1.914 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccn2)CC1 ZINC000853102679 595665738 /nfs/dbraw/zinc/66/57/38/595665738.db2.gz RGMGLIXLOBNJAD-QGZVFWFLSA-N 2 0 348.491 1.331 20 0 EDADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)c1ccccn1 ZINC000853110219 595667157 /nfs/dbraw/zinc/66/71/57/595667157.db2.gz XDGZQWSHJVCEDV-QUCCMNQESA-N 2 0 341.455 1.862 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2COCCN2C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000858525904 595818790 /nfs/dbraw/zinc/81/87/90/595818790.db2.gz NVYOQAZOAGMPLM-XHSDSOJGSA-N 2 0 341.496 1.942 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1COC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000861037873 595873426 /nfs/dbraw/zinc/87/34/26/595873426.db2.gz NJCSANGNCMIITP-YOEHRIQHSA-N 2 0 330.444 1.853 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851677026 595880982 /nfs/dbraw/zinc/88/09/82/595880982.db2.gz RZFRGOGQCVGOPS-FUHWJXTLSA-N 2 0 336.480 1.025 20 0 EDADRP CC[C@H]([NH2+]C)c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000854146743 595989332 /nfs/dbraw/zinc/98/93/32/595989332.db2.gz ZOIXGPMSERFSNZ-AWEZNQCLSA-N 2 0 330.436 1.944 20 0 EDADRP C[NH+](C)CCOCCNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857171233 596174854 /nfs/dbraw/zinc/17/48/54/596174854.db2.gz WGMXTEUANWJHBR-SFHVURJKSA-N 2 0 333.476 1.804 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000866666389 596285594 /nfs/dbraw/zinc/28/55/94/596285594.db2.gz OYXJJCIEHWCLCL-ZWKOTPCHSA-N 2 0 331.460 1.546 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCCc2cccc(F)c2)C1 ZINC000866714867 596306793 /nfs/dbraw/zinc/30/67/93/596306793.db2.gz ZFKRAZOLFLIZAN-ZACQAIPSSA-N 2 0 333.407 1.625 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867747 596383332 /nfs/dbraw/zinc/38/33/32/596383332.db2.gz KYUYEVARISVMTH-ZIAGYGMSSA-N 2 0 334.489 1.967 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870924444 596408051 /nfs/dbraw/zinc/40/80/51/596408051.db2.gz YMQXLBKKVCTSKP-USTZCAOPSA-N 2 0 336.524 1.521 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870928436 596409246 /nfs/dbraw/zinc/40/92/46/596409246.db2.gz GKJDQNFZUQFHDV-SMDDNHRTSA-N 2 0 340.265 1.859 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000865177180 596501518 /nfs/dbraw/zinc/50/15/18/596501518.db2.gz AJVOVDVPQLRLGM-UHFFFAOYSA-N 2 0 329.448 1.642 20 0 EDADRP Cn1ncc2cc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)cnc21 ZINC000865509390 596594250 /nfs/dbraw/zinc/59/42/50/596594250.db2.gz LVPWDBDQERYFER-UHFFFAOYSA-N 2 0 337.431 1.727 20 0 EDADRP C[NH2+]CCOCC[NH2+][C@@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000863544607 596613703 /nfs/dbraw/zinc/61/37/03/596613703.db2.gz ZBJOBLFXVOXVKY-MRXNPFEDSA-N 2 0 335.448 1.866 20 0 EDADRP Cc1nn(C)c(Cl)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000863651635 596644771 /nfs/dbraw/zinc/64/47/71/596644771.db2.gz CSLIGAMQUDMASJ-CQSZACIVSA-N 2 0 326.872 1.972 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)CC[C@@H]21 ZINC000868023143 596658967 /nfs/dbraw/zinc/65/89/67/596658967.db2.gz CMXBEJYEEAMBDC-SJORKVTESA-N 2 0 343.475 1.917 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2F)CC1 ZINC000868037088 596663220 /nfs/dbraw/zinc/66/32/20/596663220.db2.gz ANJDAXLTHKIFMX-MRXNPFEDSA-N 2 0 334.439 1.904 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746874 596668671 /nfs/dbraw/zinc/66/86/71/596668671.db2.gz QJHJWOQZTZSKFB-ZNMIVQPWSA-N 2 0 341.496 1.819 20 0 EDADRP C[C@@H]1Cc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc2O1 ZINC000870017384 596709465 /nfs/dbraw/zinc/70/94/65/596709465.db2.gz MFIWTUZUWFNLID-ZTFGCOKTSA-N 2 0 345.487 1.821 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2occ3c2CCOC3)C[C@H]1C[NH+](C)C ZINC000870017490 596709549 /nfs/dbraw/zinc/70/95/49/596709549.db2.gz BEOHTWIAEWMCCK-ZIAGYGMSSA-N 2 0 335.448 1.164 20 0 EDADRP Cc1nc2ccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2o1 ZINC000870019348 596710823 /nfs/dbraw/zinc/71/08/23/596710823.db2.gz VOUBEWKJEFEEBI-HZPDHXFCSA-N 2 0 344.459 1.948 20 0 EDADRP Cc1ccncc1/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021494 596712039 /nfs/dbraw/zinc/71/20/39/596712039.db2.gz GWFSVSGEWPXTKD-IKSUFZCESA-N 2 0 330.476 1.601 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C=C2CCSCC2)C[C@H]1C[NH+](C)C ZINC000870021565 596712111 /nfs/dbraw/zinc/71/21/11/596712111.db2.gz HYONZVIPHJASKZ-HZPDHXFCSA-N 2 0 325.522 1.638 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@](C)(O)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870021563 596712123 /nfs/dbraw/zinc/71/21/23/596712123.db2.gz HQWZVGQKLXMLFB-HLIPFELVSA-N 2 0 347.503 1.482 20 0 EDADRP CC(=O)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000870022059 596712732 /nfs/dbraw/zinc/71/27/32/596712732.db2.gz NHKTZJWSRZOECV-HZPDHXFCSA-N 2 0 349.450 1.840 20 0 EDADRP Cn1nc(C(C)(C)C)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023427 596713071 /nfs/dbraw/zinc/71/30/71/596713071.db2.gz XSSQKOCZKSDRCY-HUUCEWRRSA-N 2 0 349.523 1.529 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(C(C)(C)C)n[nH]2)C[C@H]1C[NH+](C)C ZINC000870023075 596713083 /nfs/dbraw/zinc/71/30/83/596713083.db2.gz KRGDPHWTPMSXNB-ZIAGYGMSSA-N 2 0 335.496 1.519 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2COc3ccccc3O2)C[C@H]1C[NH+](C)C ZINC000870024392 596714073 /nfs/dbraw/zinc/71/40/73/596714073.db2.gz ARAGMMKAYMPSQT-IIDMSEBBSA-N 2 0 347.459 1.024 20 0 EDADRP Cc1ccn2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nc2c1 ZINC000870024774 596714432 /nfs/dbraw/zinc/71/44/32/596714432.db2.gz SQNDHHMCDRMLBG-HZPDHXFCSA-N 2 0 343.475 1.454 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000868185965 596715452 /nfs/dbraw/zinc/71/54/52/596715452.db2.gz DSNCFENYAFVQSC-LUKYLMHMSA-N 2 0 330.432 1.486 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868224670 596734227 /nfs/dbraw/zinc/73/42/27/596734227.db2.gz KBOQXPLLOMSSBF-DLBZAZTESA-N 2 0 344.459 1.429 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000868227180 596735640 /nfs/dbraw/zinc/73/56/40/596735640.db2.gz VTGUXZXGNMJSJC-LUKYLMHMSA-N 2 0 342.443 1.183 20 0 EDADRP C[NH+](C)CC1(O)CC[NH+](Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000864053819 596745848 /nfs/dbraw/zinc/74/58/48/596745848.db2.gz OFVAVYJHIGUVGL-UHFFFAOYSA-N 2 0 328.359 1.897 20 0 EDADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872144079 596809493 /nfs/dbraw/zinc/80/94/93/596809493.db2.gz BQGJIIVXYFYASG-HRCADAONSA-N 2 0 346.537 1.808 20 0 EDADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1)C1CCCC1 ZINC000872157044 596816065 /nfs/dbraw/zinc/81/60/65/596816065.db2.gz NERNRQFSGHSAQL-CJNGLKHVSA-N 2 0 336.480 1.594 20 0 EDADRP CCOC(=O)N1CCN(C(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])CC1 ZINC000872158511 596817065 /nfs/dbraw/zinc/81/70/65/596817065.db2.gz VZIXTBOLGHRGTM-HNNXBMFYSA-N 2 0 342.484 1.127 20 0 EDADRP COCCCNC(=O)C[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158498 596817152 /nfs/dbraw/zinc/81/71/52/596817152.db2.gz VRSLZMLRBRPRTK-NVXWUHKLSA-N 2 0 325.497 1.759 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872284776 596867654 /nfs/dbraw/zinc/86/76/54/596867654.db2.gz OUGMCGIXRRRIEM-CVEARBPZSA-N 2 0 325.497 1.900 20 0 EDADRP Cc1nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=S)s1 ZINC000872638100 597003537 /nfs/dbraw/zinc/00/35/37/597003537.db2.gz XFUBMYBVQFOMMO-CHWSQXEVSA-N 2 0 329.539 1.611 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CCCC1 ZINC000874432224 597075955 /nfs/dbraw/zinc/07/59/55/597075955.db2.gz VPWHLTHKQBSJKW-OAHLLOKOSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876517992 597228200 /nfs/dbraw/zinc/22/82/00/597228200.db2.gz JEXIUCZECBBCCT-HNAYVOBHSA-N 2 0 341.455 1.737 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000876520284 597228975 /nfs/dbraw/zinc/22/89/75/597228975.db2.gz HWVBSPUHQFKMSO-HOCLYGCPSA-N 2 0 329.400 1.581 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H]2CCC[C@@H]21 ZINC000873245344 597238128 /nfs/dbraw/zinc/23/81/28/597238128.db2.gz ZFHLTVZCUYETCF-QYZOEREBSA-N 3 0 340.475 1.688 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1)C1CC[NH2+]CC1 ZINC000873268357 597243819 /nfs/dbraw/zinc/24/38/19/597243819.db2.gz VOZSOXPGCIYVLD-KGLIPLIRSA-N 2 0 339.505 1.976 20 0 EDADRP CCOC(=O)N1CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873290652 597249210 /nfs/dbraw/zinc/24/92/10/597249210.db2.gz BDGJEJPKWFYRDV-OAHLLOKOSA-N 2 0 325.453 1.356 20 0 EDADRP Cc1cc(NC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)n(C2CC[NH+](C)CC2)n1 ZINC000873312625 597253395 /nfs/dbraw/zinc/25/33/95/597253395.db2.gz RFJUNWOAVUCUIR-CRAIPNDOSA-N 2 0 346.479 1.864 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000876716725 597302516 /nfs/dbraw/zinc/30/25/16/597302516.db2.gz LLMUQTBZIMAXDV-MRXNPFEDSA-N 2 0 331.464 1.473 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000876739356 597315968 /nfs/dbraw/zinc/31/59/68/597315968.db2.gz PAWARINKMQXNNR-CFUSNMPFSA-N 2 0 331.460 1.655 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C[NH2+]CCO1 ZINC000876753576 597322894 /nfs/dbraw/zinc/32/28/94/597322894.db2.gz HNEPLHROBZMGJO-KXBFYZLASA-N 2 0 349.475 1.237 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000876754794 597323651 /nfs/dbraw/zinc/32/36/51/597323651.db2.gz QLLTZDXGTBBOTQ-DLBZAZTESA-N 2 0 345.491 1.816 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000876779434 597337590 /nfs/dbraw/zinc/33/75/90/597337590.db2.gz DTOQAKJNMBHEJH-MJGOQNOKSA-N 2 0 328.460 1.909 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876781373 597338875 /nfs/dbraw/zinc/33/88/75/597338875.db2.gz GWAGRCOYCRHGBK-FYCOFBDGSA-N 2 0 343.475 1.005 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NOCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000875232449 597344222 /nfs/dbraw/zinc/34/42/22/597344222.db2.gz NCJQPYOTENZDNL-IAGOWNOFSA-N 2 0 334.464 1.499 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000876808610 597347381 /nfs/dbraw/zinc/34/73/81/597347381.db2.gz TWPADOJWWXMJDB-QZTJIDSGSA-N 2 0 343.471 1.475 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841938 597355416 /nfs/dbraw/zinc/35/54/16/597355416.db2.gz FGESLJLBOGUIMK-WDYCEAGBSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H](NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1)C(C)(C)C[NH+](C)C ZINC000875273310 597363163 /nfs/dbraw/zinc/36/31/63/597363163.db2.gz MQPMMRDEFOERRG-CQSZACIVSA-N 2 0 340.512 1.022 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000876918756 597384798 /nfs/dbraw/zinc/38/47/98/597384798.db2.gz NIZFPRCVAVYBNB-PBHICJAKSA-N 2 0 346.475 1.283 20 0 EDADRP CCOC(=O)N1CCC([NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000876919192 597385035 /nfs/dbraw/zinc/38/50/35/597385035.db2.gz SRCMLRFAFVLNFX-UHFFFAOYSA-N 2 0 327.469 1.432 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000876934919 597389847 /nfs/dbraw/zinc/38/98/47/597389847.db2.gz MDNDJIAEYOYARJ-CABCVRRESA-N 2 0 331.464 1.521 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875336478 597389905 /nfs/dbraw/zinc/38/99/05/597389905.db2.gz SXTLXSNBFGPOOJ-IAGOWNOFSA-N 3 0 341.544 1.099 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000876935829 597390091 /nfs/dbraw/zinc/39/00/91/597390091.db2.gz VNHBXRBCDFRSKH-UHFFFAOYSA-N 2 0 339.505 1.936 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(C(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000876947782 597392946 /nfs/dbraw/zinc/39/29/46/597392946.db2.gz BISRRALTXHGFPX-BNOWGMLFSA-N 2 0 345.365 1.527 20 0 EDADRP C[C@@H](NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C(C)(C)C[NH+](C)C ZINC000875359886 597399248 /nfs/dbraw/zinc/39/92/48/597399248.db2.gz CLTGFGULBIGQDW-KGLIPLIRSA-N 2 0 328.501 1.107 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1(F)F ZINC000876964763 597399826 /nfs/dbraw/zinc/39/98/26/597399826.db2.gz PGMINGQPQUQREX-AAVRWANBSA-N 2 0 327.350 1.227 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(F)cn2)C[C@H]1C[NH+](C)C ZINC000875386244 597408821 /nfs/dbraw/zinc/40/88/21/597408821.db2.gz LOBVJWPHWWTKQA-ZIAGYGMSSA-N 2 0 337.443 1.102 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000877081556 597427840 /nfs/dbraw/zinc/42/78/40/597427840.db2.gz PPXMZVZVDYKJPD-CABCVRRESA-N 2 0 327.444 1.037 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCOCC2CCC2)C[C@H]1C[NH+](C)C ZINC000875497076 597453558 /nfs/dbraw/zinc/45/35/58/597453558.db2.gz PURUCMSJGIVGCP-IAGOWNOFSA-N 2 0 340.512 1.184 20 0 EDADRP Cc1cc(C)n(CCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000877199311 597459336 /nfs/dbraw/zinc/45/93/36/597459336.db2.gz MIRFVHDMRICQPZ-UHFFFAOYSA-N 2 0 328.420 1.333 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)CC2CC[NH2+]CC2)C1 ZINC000877231754 597470495 /nfs/dbraw/zinc/47/04/95/597470495.db2.gz SJXDBVSOMHWNBI-LJQANCHMSA-N 2 0 345.487 1.702 20 0 EDADRP COCCC1(NC(=O)c2ccc(Cn3ccnc3)cc2)CC[NH2+]CC1 ZINC000877267808 597483649 /nfs/dbraw/zinc/48/36/49/597483649.db2.gz FVPZSLNWGWXACH-UHFFFAOYSA-N 2 0 342.443 1.820 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877281575 597485927 /nfs/dbraw/zinc/48/59/27/597485927.db2.gz IQGAJNUPUDNKCH-MOPGFXCFSA-N 2 0 342.487 1.552 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H]1C(F)(F)F ZINC000877371796 597503637 /nfs/dbraw/zinc/50/36/37/597503637.db2.gz VRISMTSLMLVFBL-DGCLKSJQSA-N 2 0 344.381 1.622 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000878286060 597592638 /nfs/dbraw/zinc/59/26/38/597592638.db2.gz JYGHUSSRMHIVSL-CRAIPNDOSA-N 2 0 334.508 1.146 20 0 EDADRP Cn1nnnc1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000878322231 597595276 /nfs/dbraw/zinc/59/52/76/597595276.db2.gz HGZDXJFLPVBRTF-UHFFFAOYSA-N 2 0 340.475 1.741 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000878368652 597598043 /nfs/dbraw/zinc/59/80/43/597598043.db2.gz NANQRYTUYSJRGV-OAHLLOKOSA-N 2 0 341.459 1.733 20 0 EDADRP CCC[C@H](C)[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780444 597624929 /nfs/dbraw/zinc/62/49/29/597624929.db2.gz XUZJWKRPYKYILR-GJZGRUSLSA-N 2 0 336.480 1.861 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000883091681 597645258 /nfs/dbraw/zinc/64/52/58/597645258.db2.gz UHMJXRSPJHPMIS-UHFFFAOYSA-N 2 0 333.432 1.892 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CCc3ccccc3)CC2)CC1 ZINC000879595400 597650722 /nfs/dbraw/zinc/65/07/22/597650722.db2.gz AYADRGANANAVHM-FQEVSTJZSA-N 2 0 331.504 1.692 20 0 EDADRP C[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000878711984 597687450 /nfs/dbraw/zinc/68/74/50/597687450.db2.gz OZQFWMPNAWVORD-QGZVFWFLSA-N 2 0 344.503 1.403 20 0 EDADRP CC(C)C[N@@H+](Cc1nnc2c(=O)[nH]ccn12)CC1CC[NH+](C)CC1 ZINC000879705151 597696005 /nfs/dbraw/zinc/69/60/05/597696005.db2.gz LYNCFRBYMWVSMH-UHFFFAOYSA-N 2 0 332.452 1.217 20 0 EDADRP CC1(C)C[C@H](C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883415957 597739345 /nfs/dbraw/zinc/73/93/45/597739345.db2.gz IPXUTBLGVNVNQE-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP CC1(C)C[C@H](C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])C(C)(C)O1 ZINC000883426881 597742978 /nfs/dbraw/zinc/74/29/78/597742978.db2.gz CDAYRPCUHBKYLH-CABCVRRESA-N 2 0 325.497 1.900 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)Nc1cc(C)nn1C1CC[NH+](C)CC1 ZINC000878887825 597747032 /nfs/dbraw/zinc/74/70/32/597747032.db2.gz XGJRJWRUSIFDNK-OAHLLOKOSA-N 2 0 334.468 1.674 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586426 597815403 /nfs/dbraw/zinc/81/54/03/597815403.db2.gz LIRHZAHTOIXTJE-RHSMWYFYSA-N 2 0 329.448 1.536 20 0 EDADRP COCC[N@@H+](CC(=O)N1CCC[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879123634 597826336 /nfs/dbraw/zinc/82/63/36/597826336.db2.gz XYMNKLQABAJXFN-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP COCC[N@H+](C[C@@H](O)CC1(O)CCCCC1)CC1CC[NH+](C)CC1 ZINC000879127594 597827383 /nfs/dbraw/zinc/82/73/83/597827383.db2.gz ZCGKPFLCGMZPMD-SFHVURJKSA-N 2 0 342.524 1.723 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnc3ccccn23)C[C@H]1C[NH+](C)C ZINC000880098069 597840664 /nfs/dbraw/zinc/84/06/64/597840664.db2.gz GBFDWIPPMAGGPW-HUUCEWRRSA-N 2 0 344.463 1.537 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn(CCF)c2)C[C@H]1C[NH+](C)C ZINC000880175724 597866081 /nfs/dbraw/zinc/86/60/81/597866081.db2.gz DUNAHSMKKOPZMC-ZIAGYGMSSA-N 2 0 340.447 1.056 20 0 EDADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884029502 597972619 /nfs/dbraw/zinc/97/26/19/597972619.db2.gz OAVYOJGRZARFFM-CYBMUJFWSA-N 2 0 326.238 1.659 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000882494101 597976877 /nfs/dbraw/zinc/97/68/77/597976877.db2.gz GYLXGSCLSSKOJC-FGTMMUONSA-N 2 0 347.507 1.444 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884184457 598017720 /nfs/dbraw/zinc/01/77/20/598017720.db2.gz QJSKSEZPSYCSQQ-UHFFFAOYSA-N 2 0 331.464 1.048 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000884191717 598021251 /nfs/dbraw/zinc/02/12/51/598021251.db2.gz LCFLONVRCYEPKL-UHFFFAOYSA-N 2 0 331.460 1.889 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000884198125 598024856 /nfs/dbraw/zinc/02/48/56/598024856.db2.gz NTDHUPAYTPRKKH-MSOLQXFVSA-N 2 0 333.476 1.940 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884271299 598050122 /nfs/dbraw/zinc/05/01/22/598050122.db2.gz BFENGFKBLHLBJI-TVYUQYBPSA-N 2 0 326.238 1.706 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]1 ZINC000884273817 598050715 /nfs/dbraw/zinc/05/07/15/598050715.db2.gz YOOKNFQQOIMWOU-ICCXJUOJSA-N 2 0 326.238 1.706 20 0 EDADRP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000884288217 598056109 /nfs/dbraw/zinc/05/61/09/598056109.db2.gz ZEXYGSVFYGQYEJ-LPHOPBHVSA-N 2 0 327.428 1.905 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1)C(C)(C)C ZINC000884488408 598118718 /nfs/dbraw/zinc/11/87/18/598118718.db2.gz VAOSZPVNCYVXAV-HUUCEWRRSA-N 2 0 340.512 1.199 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995014321 699966952 /nfs/dbraw/zinc/96/69/52/699966952.db2.gz KTOJFYTXWODUGT-JKSUJKDBSA-N 2 0 346.475 1.986 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@@H]2CC[N@@H+]2C)cc1 ZINC000914058043 695046461 /nfs/dbraw/zinc/04/64/61/695046461.db2.gz JRDNRYVVICWRIX-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP CC1CC[NH+](CCNC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000914075922 695071243 /nfs/dbraw/zinc/07/12/43/695071243.db2.gz LIJATNFRZGZPCY-KRWDZBQOSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnns3)[C@@H]2C1 ZINC000992903429 695440023 /nfs/dbraw/zinc/44/00/23/695440023.db2.gz BDEXFUWHFXBEBB-NUEKZKHPSA-N 2 0 349.504 1.351 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)on1 ZINC000992903840 695440283 /nfs/dbraw/zinc/44/02/83/695440283.db2.gz DHQKGSTYPKSUJH-RYQLBKOJSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000915135236 695747829 /nfs/dbraw/zinc/74/78/29/695747829.db2.gz HGXRVIGQZYJNEF-PMPSAXMXSA-N 2 0 340.537 1.596 20 0 EDADRP C[C@H](CNC(=O)NCc1nc(CN(C)C)cs1)[N@H+](C)C1CC1 ZINC000916850714 696793727 /nfs/dbraw/zinc/79/37/27/696793727.db2.gz HRLNKTQLJKIWJA-LLVKDONJSA-N 2 0 325.482 1.487 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001031585168 697280954 /nfs/dbraw/zinc/28/09/54/697280954.db2.gz RDGSAETWICNQDE-CABCVRRESA-N 2 0 329.435 1.954 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000924021142 697288231 /nfs/dbraw/zinc/28/82/31/697288231.db2.gz KJMSDTYWALIAPV-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000920311795 697421912 /nfs/dbraw/zinc/42/19/12/697421912.db2.gz DJTDIZNSOWYQBD-UHFFFAOYSA-N 2 0 348.520 1.214 20 0 EDADRP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674695 697483377 /nfs/dbraw/zinc/48/33/77/697483377.db2.gz NXYKTSQHFXMNIH-SFHVURJKSA-N 2 0 331.504 1.957 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001031675657 697487630 /nfs/dbraw/zinc/48/76/30/697487630.db2.gz PTMRTADWGIAQAT-LJQANCHMSA-N 2 0 343.471 1.585 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688721 697526861 /nfs/dbraw/zinc/52/68/61/697526861.db2.gz KKLJAJYTPLTRHP-HOTGVXAUSA-N 2 0 335.473 1.159 20 0 EDADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000921407239 697595173 /nfs/dbraw/zinc/59/51/73/697595173.db2.gz XGGHDIIUXBNWBE-YJNKXOJESA-N 2 0 326.510 1.206 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337270 698154910 /nfs/dbraw/zinc/15/49/10/698154910.db2.gz YKXMXILSCHDRJJ-QAPCUYQASA-N 2 0 347.507 1.479 20 0 EDADRP [NH3+]C1(CC(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CCC1 ZINC000237730405 698314484 /nfs/dbraw/zinc/31/44/84/698314484.db2.gz HZZXXZSLISBKHT-OAHLLOKOSA-N 2 0 331.416 1.805 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940114896 700229727 /nfs/dbraw/zinc/22/97/27/700229727.db2.gz FDLGYIDUJWNZAX-KRWDZBQOSA-N 2 0 345.491 1.233 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)C1 ZINC000941475681 701551486 /nfs/dbraw/zinc/55/14/86/701551486.db2.gz USLNDWTZPFQQRO-UHFFFAOYSA-N 2 0 341.459 1.576 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475680 701551491 /nfs/dbraw/zinc/55/14/91/701551491.db2.gz UQCWHGHKNKUQRV-UHFFFAOYSA-N 2 0 334.508 1.243 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)[C@@H](C)C2)CC1 ZINC000947882371 699086159 /nfs/dbraw/zinc/08/61/59/699086159.db2.gz RKVBPKWIMPBROD-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055111 699115720 /nfs/dbraw/zinc/11/57/20/699115720.db2.gz UJTZBCHINWFQHX-FZKQIMNGSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c(C)n1 ZINC000939055372 699116097 /nfs/dbraw/zinc/11/60/97/699116097.db2.gz XSCIZHAIRGMUFE-KUHUBIRLSA-N 2 0 344.503 1.977 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)c1 ZINC000939064217 699131494 /nfs/dbraw/zinc/13/14/94/699131494.db2.gz STEYEYFKRGLUON-BEFAXECRSA-N 2 0 345.487 1.974 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)ccc2c[nH+]cn21 ZINC001031800334 699316889 /nfs/dbraw/zinc/31/68/89/699316889.db2.gz LUJQNAFWXOLEGR-QGZVFWFLSA-N 2 0 342.443 1.873 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031802440 699364009 /nfs/dbraw/zinc/36/40/09/699364009.db2.gz QRNOHHGPIYOWHJ-FUHWJXTLSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001031806649 699431324 /nfs/dbraw/zinc/43/13/24/699431324.db2.gz JFRGYXNMFPRBGH-ROUUACIJSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939256883 699433813 /nfs/dbraw/zinc/43/38/13/699433813.db2.gz GEOOXHXKVRPJOE-WFASDCNBSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939424591 699574208 /nfs/dbraw/zinc/57/42/08/699574208.db2.gz YEGBMYZUHRZLQZ-MAUKXSAKSA-N 2 0 346.475 1.129 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000941628547 701599635 /nfs/dbraw/zinc/59/96/35/701599635.db2.gz WVHBAWAJEMXFKS-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cncn3C)C2)CC1 ZINC000939454372 699600960 /nfs/dbraw/zinc/60/09/60/699600960.db2.gz RJAXGFIXRDFHRA-QAPCUYQASA-N 2 0 347.507 1.477 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939544561 699686311 /nfs/dbraw/zinc/68/63/11/699686311.db2.gz KQXJGNJLGMKYIN-DYVFJYSZSA-N 2 0 349.425 1.997 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003669 699888596 /nfs/dbraw/zinc/88/85/96/699888596.db2.gz BUVYQBUPEJHLPL-CVEARBPZSA-N 2 0 345.491 1.423 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754083 699903685 /nfs/dbraw/zinc/90/36/85/699903685.db2.gz KMOQVODHTOCSPN-MAUKXSAKSA-N 2 0 347.507 1.805 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939756357 699923005 /nfs/dbraw/zinc/92/30/05/699923005.db2.gz UFIHOHZVXZUHKB-SUMWQHHRSA-N 2 0 343.431 1.255 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(C)c(=O)c2)CC1)[NH+](C)C ZINC000940176563 700309085 /nfs/dbraw/zinc/30/90/85/700309085.db2.gz LFZQZIABKXTSLR-MRXNPFEDSA-N 2 0 348.491 1.196 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000940178093 700311417 /nfs/dbraw/zinc/31/14/17/700311417.db2.gz BYQLVVHYADEBDD-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000940179074 700312838 /nfs/dbraw/zinc/31/28/38/700312838.db2.gz QRYGYXBGAHOIEC-HNNXBMFYSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)(C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1)[NH+]1CCCC1 ZINC000940248048 700412656 /nfs/dbraw/zinc/41/26/56/700412656.db2.gz RWFMFSANFMWSQS-UHFFFAOYSA-N 2 0 335.452 1.415 20 0 EDADRP Cn1nncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995054475 700416799 /nfs/dbraw/zinc/41/67/99/700416799.db2.gz LZRJNCRNGJYLPN-CABCVRRESA-N 2 0 348.495 1.064 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940327629 700504777 /nfs/dbraw/zinc/50/47/77/700504777.db2.gz LJHGZIHRNGWWGU-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000940329185 700508303 /nfs/dbraw/zinc/50/83/03/700508303.db2.gz QYFIPCQUISKHOS-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC000940352775 700536165 /nfs/dbraw/zinc/53/61/65/700536165.db2.gz AWFZNTPUBZWUBY-UHFFFAOYSA-N 2 0 345.451 1.043 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC000940392873 700569550 /nfs/dbraw/zinc/56/95/50/700569550.db2.gz RZOOUUXENHYFCL-UHFFFAOYSA-N 2 0 349.479 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940426254 700620192 /nfs/dbraw/zinc/62/01/92/700620192.db2.gz LZOLROUBSHFKRA-MRXNPFEDSA-N 2 0 330.476 1.894 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940472548 700657714 /nfs/dbraw/zinc/65/77/14/700657714.db2.gz CKPGNNNIOXRRRB-OAHLLOKOSA-N 2 0 335.452 1.415 20 0 EDADRP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457795 700661596 /nfs/dbraw/zinc/66/15/96/700661596.db2.gz VFLWAEKOWDQKEL-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940457892 700661846 /nfs/dbraw/zinc/66/18/46/700661846.db2.gz YXYCLJSVSCHCJF-AWEZNQCLSA-N 2 0 349.479 1.615 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940798525 700916313 /nfs/dbraw/zinc/91/63/13/700916313.db2.gz IBPHQUIMGUFXBX-CVEARBPZSA-N 2 0 325.497 1.173 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000940993962 701029725 /nfs/dbraw/zinc/02/97/25/701029725.db2.gz PSCPDCWFWJMAML-HOCLYGCPSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000995119202 701103928 /nfs/dbraw/zinc/10/39/28/701103928.db2.gz WGJBRLLEXNCXEH-HIFRSBDPSA-N 2 0 330.436 1.069 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169382 706597879 /nfs/dbraw/zinc/59/78/79/706597879.db2.gz QBVWIKOHKVKUJN-LEOMRAHMSA-N 2 0 346.475 1.936 20 0 EDADRP CC1(C)C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215082 701401243 /nfs/dbraw/zinc/40/12/43/701401243.db2.gz KZYOENKARIGKNT-MRXNPFEDSA-N 2 0 333.480 1.196 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)[nH]1 ZINC000999169868 706599217 /nfs/dbraw/zinc/59/92/17/706599217.db2.gz WDESVLBKPROFAQ-VMBOVVBDSA-N 2 0 346.479 1.067 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)on1 ZINC000941220795 701411150 /nfs/dbraw/zinc/41/11/50/701411150.db2.gz HVGQGXHYXUTZKX-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999170701 706600447 /nfs/dbraw/zinc/60/04/47/706600447.db2.gz RKVVWABCEZIERF-DLBZAZTESA-N 2 0 332.448 1.405 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999171140 706601027 /nfs/dbraw/zinc/60/10/27/706601027.db2.gz UBNQRYTVHZYNIB-QZTJIDSGSA-N 2 0 346.450 1.643 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1)C1CCCC1 ZINC001031948467 701516737 /nfs/dbraw/zinc/51/67/37/701516737.db2.gz BWGNHZIRSLYZJR-SFHVURJKSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408910 701521406 /nfs/dbraw/zinc/52/14/06/701521406.db2.gz YDNXVRKZJVXDMJ-ROUUACIJSA-N 2 0 348.535 1.345 20 0 EDADRP CCN1CCO[C@H](C(=O)NCC2C[NH+](CCC3=CCCCC3)C2)C1 ZINC001032200145 701789708 /nfs/dbraw/zinc/78/97/08/701789708.db2.gz MBKKUNXFUNPPTG-SFHVURJKSA-N 2 0 335.492 1.646 20 0 EDADRP O=[N+]([O-])c1ccnn1CN1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000183521662 701798700 /nfs/dbraw/zinc/79/87/00/701798700.db2.gz NXAWLBUTVCACRK-UHFFFAOYSA-N 2 0 337.424 1.573 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001032132282 701864652 /nfs/dbraw/zinc/86/46/52/701864652.db2.gz RPPXXCLKQCLOOP-INIZCTEOSA-N 2 0 346.475 1.768 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999189227 706630908 /nfs/dbraw/zinc/63/09/08/706630908.db2.gz IQEJQPRJNUNSHK-XOKHGSTOSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189534 706631997 /nfs/dbraw/zinc/63/19/97/706631997.db2.gz KZEMVEYDPNUYJE-VNQPRFMTSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189841 706632013 /nfs/dbraw/zinc/63/20/13/706632013.db2.gz NOBVNIGUGJFPES-BRWVUGGUSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191300 706633950 /nfs/dbraw/zinc/63/39/50/706633950.db2.gz XFEXVCPBIUVQKJ-MGPQQGTHSA-N 2 0 337.493 1.267 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001032205939 702111707 /nfs/dbraw/zinc/11/17/07/702111707.db2.gz MWWPHRUUIUJMJA-SFHVURJKSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001032182107 702184057 /nfs/dbraw/zinc/18/40/57/702184057.db2.gz FEAGRCHGMRILNT-KRWDZBQOSA-N 2 0 333.451 1.758 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995893694 702195315 /nfs/dbraw/zinc/19/53/15/702195315.db2.gz IRGXJSWRIGZPIK-IRXDYDNUSA-N 2 0 347.507 1.395 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2C[C@@H](NCc3cnon3)C(C)(C)C2)C1 ZINC000995885988 702221860 /nfs/dbraw/zinc/22/18/60/702221860.db2.gz QGDCQZLGYICSQD-GOEBONIOSA-N 2 0 349.479 1.374 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CC[C@H]3CCOC3)C(C)(C)C2)CCC1 ZINC000995889538 702229804 /nfs/dbraw/zinc/22/98/04/702229804.db2.gz WABGZDHZGFQKHO-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1)C1CCC1 ZINC000995920056 702239891 /nfs/dbraw/zinc/23/98/91/702239891.db2.gz RTOQWZPDUVCKQV-CQSZACIVSA-N 2 0 337.493 1.349 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1)[NH+](C)C ZINC000995928219 702258096 /nfs/dbraw/zinc/25/80/96/702258096.db2.gz SPTNAQVXRPVXEF-CVEARBPZSA-N 2 0 335.496 1.333 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995913865 702273120 /nfs/dbraw/zinc/27/31/20/702273120.db2.gz BXTAQIRENBBGQY-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ccnc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995975250 702331455 /nfs/dbraw/zinc/33/14/55/702331455.db2.gz IXPKMKUENQSQPU-JKSUJKDBSA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CCn1cccn1 ZINC000995993548 702370926 /nfs/dbraw/zinc/37/09/26/702370926.db2.gz BNGPCGYNPABZQF-MRXNPFEDSA-N 2 0 345.491 1.338 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)CC[N@@H+]1C ZINC000999211538 706664613 /nfs/dbraw/zinc/66/46/13/706664613.db2.gz ZOFBJYGGEPRADC-BHYGNILZSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)ncn1 ZINC000944168873 702409182 /nfs/dbraw/zinc/40/91/82/702409182.db2.gz LGPGTEGJGLVJFO-WMLDXEAASA-N 2 0 343.475 1.207 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996139775 702568404 /nfs/dbraw/zinc/56/84/04/702568404.db2.gz ZPQVCZJESVJABJ-MRXNPFEDSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996300669 702692559 /nfs/dbraw/zinc/69/25/59/702692559.db2.gz OFWKHJQSBSSSGT-OCCSQVGLSA-N 2 0 337.493 1.349 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)C1 ZINC000996302775 702694866 /nfs/dbraw/zinc/69/48/66/702694866.db2.gz ZGEKPYFXXQTAIB-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)oc1C ZINC000995212017 702700255 /nfs/dbraw/zinc/70/02/55/702700255.db2.gz OIZFBHMQBNEAOS-CVEARBPZSA-N 2 0 334.464 1.762 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1)[NH+](C)C ZINC000996314446 702702779 /nfs/dbraw/zinc/70/27/79/702702779.db2.gz IOEXKLBCAMBPIZ-DLBZAZTESA-N 2 0 347.507 1.496 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1)[NH+](C)C ZINC000996316456 702704307 /nfs/dbraw/zinc/70/43/07/702704307.db2.gz ZLMXZTQCWMGXHA-HOTGVXAUSA-N 2 0 336.455 1.888 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996478210 702809850 /nfs/dbraw/zinc/80/98/50/702809850.db2.gz QUEJWBNCGQAKSN-NVXWUHKLSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)on1 ZINC000996478116 702809933 /nfs/dbraw/zinc/80/99/33/702809933.db2.gz PDXDLINRTJGFDV-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506368 702827310 /nfs/dbraw/zinc/82/73/10/702827310.db2.gz LJYNOEVTFYOURJ-HZPDHXFCSA-N 2 0 325.497 1.460 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996500177 702839262 /nfs/dbraw/zinc/83/92/62/702839262.db2.gz CWNHJCBWCSXPBI-HKUYNNGSSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996515927 702851476 /nfs/dbraw/zinc/85/14/76/702851476.db2.gz WJXHRJNQSCIKPL-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996559254 702877743 /nfs/dbraw/zinc/87/77/43/702877743.db2.gz DBQZVMNIDNZGIY-SFHVURJKSA-N 2 0 345.491 1.325 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000996602796 702905385 /nfs/dbraw/zinc/90/53/85/702905385.db2.gz GQPSKCYJXXMIHZ-OKZBNKHCSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000996604630 702914163 /nfs/dbraw/zinc/91/41/63/702914163.db2.gz VQWMQUHFFDATRV-ZWKOTPCHSA-N 2 0 330.476 1.893 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996614347 702919698 /nfs/dbraw/zinc/91/96/98/702919698.db2.gz MTEHMACTSRFTJY-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)o1 ZINC000996614389 702919824 /nfs/dbraw/zinc/91/98/24/702919824.db2.gz NAQHNWWQXIGAQI-GDBMZVCRSA-N 2 0 334.464 1.570 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996614492 702919860 /nfs/dbraw/zinc/91/98/60/702919860.db2.gz NIURLPHPOHYSOD-NVXWUHKLSA-N 2 0 330.476 1.668 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996623078 702928266 /nfs/dbraw/zinc/92/82/66/702928266.db2.gz UZOUCYYDFJSWQX-ZWKOTPCHSA-N 2 0 344.459 1.025 20 0 EDADRP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001032313257 702960398 /nfs/dbraw/zinc/96/03/98/702960398.db2.gz HAXFQELWLZDPBS-FHWLQOOXSA-N 2 0 327.472 1.917 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CCO1 ZINC000996667014 702963929 /nfs/dbraw/zinc/96/39/29/702963929.db2.gz VTEYSVOBPSGVJU-CVEARBPZSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccccc1F ZINC001032315306 702968750 /nfs/dbraw/zinc/96/87/50/702968750.db2.gz IAKYTGWKDDHVAT-XYJFISCASA-N 2 0 331.435 1.748 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996669999 702971251 /nfs/dbraw/zinc/97/12/51/702971251.db2.gz JQIPGTDEIQHWJQ-MRXNPFEDSA-N 2 0 347.507 1.623 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000996671879 702972921 /nfs/dbraw/zinc/97/29/21/702972921.db2.gz OXFQBGBFSRJQKL-HZPDHXFCSA-N 2 0 347.507 1.621 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000996687279 702984542 /nfs/dbraw/zinc/98/45/42/702984542.db2.gz HDFFMOZBBFQREC-KRWDZBQOSA-N 2 0 336.480 1.904 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cnc(C)cn2)CC1)[NH+](C)C ZINC000996713315 703008079 /nfs/dbraw/zinc/00/80/79/703008079.db2.gz TXRFQGTWUCSGJG-WMLDXEAASA-N 2 0 333.480 1.767 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2csnc2OC)CC1)[NH+](C)C ZINC000996713521 703008503 /nfs/dbraw/zinc/00/85/03/703008503.db2.gz VWWOXVMWXVZQBI-CQSZACIVSA-N 2 0 340.493 1.573 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)on1 ZINC000996723083 703018098 /nfs/dbraw/zinc/01/80/98/703018098.db2.gz SRGPTEVGAGBUBW-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996731539 703028489 /nfs/dbraw/zinc/02/84/89/703028489.db2.gz WREQBFFTEIGLMA-MRXNPFEDSA-N 2 0 335.492 1.480 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000996747487 703041385 /nfs/dbraw/zinc/04/13/85/703041385.db2.gz FNVRDYHTIKZXFW-SJLPKXTDSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ccns2)CC1)C12CCC[NH+]1CCC2 ZINC000996767702 703059047 /nfs/dbraw/zinc/05/90/47/703059047.db2.gz QUXROXLNNWEAMG-UHFFFAOYSA-N 2 0 334.489 1.852 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)[nH]1 ZINC000996769044 703060342 /nfs/dbraw/zinc/06/03/42/703060342.db2.gz OOACSCBWKHSXJI-UHFFFAOYSA-N 2 0 339.403 1.155 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596773 703111386 /nfs/dbraw/zinc/11/13/86/703111386.db2.gz GDKOQWDNOZSNII-YOEHRIQHSA-N 2 0 333.480 1.089 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996823755 703113957 /nfs/dbraw/zinc/11/39/57/703113957.db2.gz WOZXVSHMCXFJJB-URSIVYNOSA-N 2 0 333.476 1.230 20 0 EDADRP O=C(N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC000996853392 703131840 /nfs/dbraw/zinc/13/18/40/703131840.db2.gz CMARXJMVQKNNOA-UONOGXRCSA-N 2 0 345.409 1.719 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996854452 703132906 /nfs/dbraw/zinc/13/29/06/703132906.db2.gz CQQBDQVPKSBAAP-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996957133 703220315 /nfs/dbraw/zinc/22/03/15/703220315.db2.gz XZEOEMVDRBAUFQ-UHFFFAOYSA-N 2 0 348.495 1.029 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997004745 703262081 /nfs/dbraw/zinc/26/20/81/703262081.db2.gz GMSREDTXRZHRTG-CQSZACIVSA-N 2 0 348.495 1.029 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997008731 703266707 /nfs/dbraw/zinc/26/67/07/703266707.db2.gz WMUVVUVTKZQTMZ-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000997083458 703321985 /nfs/dbraw/zinc/32/19/85/703321985.db2.gz KVDJQJMSEAPQHU-DLBZAZTESA-N 2 0 332.448 1.772 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)cn1 ZINC000997094031 703341513 /nfs/dbraw/zinc/34/15/13/703341513.db2.gz QVPXAGNDJHFDKY-MSOLQXFVSA-N 2 0 345.491 1.518 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)CC1 ZINC000997115703 703369943 /nfs/dbraw/zinc/36/99/43/703369943.db2.gz PZULSQKHCUNKLS-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC000997116030 703370249 /nfs/dbraw/zinc/37/02/49/703370249.db2.gz RNBGNEORYQYRDT-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@H+]2CC1CC(F)(F)C1 ZINC001032408048 703433985 /nfs/dbraw/zinc/43/39/85/703433985.db2.gz SZCBJUCUBHQQLJ-HRCADAONSA-N 2 0 339.430 1.659 20 0 EDADRP CC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001032409283 703438695 /nfs/dbraw/zinc/43/86/95/703438695.db2.gz IZZWFJIXCDDBTE-GQGLESIBSA-N 2 0 345.491 1.390 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185819 703475043 /nfs/dbraw/zinc/47/50/43/703475043.db2.gz SEQHNOAVQKTPSU-CVEARBPZSA-N 2 0 345.491 1.768 20 0 EDADRP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997274365 703535148 /nfs/dbraw/zinc/53/51/48/703535148.db2.gz LGVCJILMPHPCTF-UXLLHSPISA-N 2 0 325.497 1.722 20 0 EDADRP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997278030 703536485 /nfs/dbraw/zinc/53/64/85/703536485.db2.gz CVCWOUKPOGFHCA-LHHMISFZSA-N 2 0 339.524 1.968 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3noc4c3CCCC4)CC2)C1 ZINC000997297254 703555622 /nfs/dbraw/zinc/55/56/22/703555622.db2.gz DOOICKNQRKHIEG-AWEZNQCLSA-N 2 0 346.475 1.586 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@H](O)C3CCCCC3)CC2)C1 ZINC000997299527 703557000 /nfs/dbraw/zinc/55/70/00/703557000.db2.gz OWWKQFIGPAQKHF-WMZOPIPTSA-N 2 0 337.508 1.460 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc4nonc4c3)CC2)C1 ZINC000997304945 703564340 /nfs/dbraw/zinc/56/43/40/703564340.db2.gz YMCLWFHOCDGQQU-AWEZNQCLSA-N 2 0 343.431 1.255 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000997368149 703604977 /nfs/dbraw/zinc/60/49/77/703604977.db2.gz QFDCDZZWHDZLDE-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)nn1 ZINC000997368259 703606190 /nfs/dbraw/zinc/60/61/90/703606190.db2.gz RVCBPIVWDOPFLN-UHFFFAOYSA-N 2 0 348.495 1.255 20 0 EDADRP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1)OC ZINC000997389289 703657319 /nfs/dbraw/zinc/65/73/19/703657319.db2.gz DTALMCMKONRTDC-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000997420349 703670264 /nfs/dbraw/zinc/67/02/64/703670264.db2.gz HNWLYZFFJSNSNL-RHSMWYFYSA-N 2 0 333.480 1.089 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004202061 703931858 /nfs/dbraw/zinc/93/18/58/703931858.db2.gz CHLWOOBYOMNKIS-OAHLLOKOSA-N 2 0 333.476 1.977 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922547142 703953287 /nfs/dbraw/zinc/95/32/87/703953287.db2.gz OVLXGSJBROVWMB-JYJNAYRXSA-N 2 0 342.553 1.986 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995550586 703953991 /nfs/dbraw/zinc/95/39/91/703953991.db2.gz JUZJEFKWIJSGDQ-HZPDHXFCSA-N 2 0 331.464 1.206 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1 ZINC000995554363 703969266 /nfs/dbraw/zinc/96/92/66/703969266.db2.gz WTIXSDRLGZLRHU-HZPDHXFCSA-N 2 0 334.439 1.642 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033082575 704139340 /nfs/dbraw/zinc/13/93/40/704139340.db2.gz SALNXXNBHNBWAS-DLBZAZTESA-N 2 0 346.475 1.666 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001033082577 704139608 /nfs/dbraw/zinc/13/96/08/704139608.db2.gz SALNXXNBHNBWAS-IRXDYDNUSA-N 2 0 346.475 1.666 20 0 EDADRP CCn1ccc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093193 704169995 /nfs/dbraw/zinc/16/99/95/704169995.db2.gz YDBVWHYBKKZOIB-DJIMGWMZSA-N 2 0 333.480 1.276 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946592503 704230529 /nfs/dbraw/zinc/23/05/29/704230529.db2.gz QPXOVYYJEXFCCK-XWTMOSNGSA-N 2 0 335.492 1.024 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999310377 706813390 /nfs/dbraw/zinc/81/33/90/706813390.db2.gz XXQULHNBDNEDHB-ROUUACIJSA-N 2 0 347.507 1.418 20 0 EDADRP C[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538932 704592484 /nfs/dbraw/zinc/59/24/84/704592484.db2.gz YZBQYFGKLNAETH-XIRDDKMYSA-N 2 0 331.460 1.070 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000997783584 704693788 /nfs/dbraw/zinc/69/37/88/704693788.db2.gz IHPYRDOUVUOUOY-LJQANCHMSA-N 2 0 349.519 1.583 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1C ZINC000997831547 704749656 /nfs/dbraw/zinc/74/96/56/704749656.db2.gz VAKIJSYQOCFDRX-GOSISDBHSA-N 2 0 347.507 1.397 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CC1 ZINC000997832087 704750552 /nfs/dbraw/zinc/75/05/52/704750552.db2.gz YSHCHGVAAYZJIF-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)no1 ZINC000997831081 704751447 /nfs/dbraw/zinc/75/14/47/704751447.db2.gz QARHAWRWOOLLOS-KRWDZBQOSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCn2cccn2)CC1 ZINC000997836244 704753650 /nfs/dbraw/zinc/75/36/50/704753650.db2.gz HOPZYHNGLXDPSZ-INIZCTEOSA-N 2 0 345.491 1.196 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997838383 704755603 /nfs/dbraw/zinc/75/56/03/704755603.db2.gz BXAJACSSWCDOSY-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000997841305 704757811 /nfs/dbraw/zinc/75/78/11/704757811.db2.gz SPGIGNNAKZBEDY-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997860064 704768970 /nfs/dbraw/zinc/76/89/70/704768970.db2.gz DFOCQDVGGGPIFQ-GOEBONIOSA-N 2 0 334.464 1.651 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997864470 704770989 /nfs/dbraw/zinc/77/09/89/704770989.db2.gz JDOWKEDVITTXRB-MRXNPFEDSA-N 2 0 336.505 1.956 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944944568 704797193 /nfs/dbraw/zinc/79/71/93/704797193.db2.gz NIHYAMAOUJFSMO-YOEHRIQHSA-N 2 0 348.491 1.968 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944945223 704798292 /nfs/dbraw/zinc/79/82/92/704798292.db2.gz QDINOOWHADVKHS-DOTOQJQBSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1cnc(CN2CC[C@@H](NC(=O)Cn3ccnc3C)[C@@H](C)C2)s1 ZINC000944965434 704835399 /nfs/dbraw/zinc/83/53/99/704835399.db2.gz SOPRLXVEABHJNK-SWLSCSKDSA-N 2 0 347.488 1.983 20 0 EDADRP O=C([C@H]1COCCN1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CC1 ZINC001032585400 705055123 /nfs/dbraw/zinc/05/51/23/705055123.db2.gz HAFVSTSTLGYJHM-GBESFXJTSA-N 2 0 347.503 1.715 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998018466 705201810 /nfs/dbraw/zinc/20/18/10/705201810.db2.gz VJAQLWKMZJNZQA-HOTGVXAUSA-N 2 0 338.496 1.048 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998226375 705557277 /nfs/dbraw/zinc/55/72/77/705557277.db2.gz ZHOZHXNZMUUDTH-UHFFFAOYSA-N 2 0 344.419 1.173 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998274820 705657871 /nfs/dbraw/zinc/65/78/71/705657871.db2.gz WDLMLUIXRLSFKD-INIZCTEOSA-N 2 0 333.480 1.183 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2csc(Cl)n2)C1 ZINC000998730219 706162297 /nfs/dbraw/zinc/16/22/97/706162297.db2.gz JLPGTDSREUMKJA-WCQYABFASA-N 2 0 342.896 1.971 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC(NCc2ccon2)C1 ZINC000999035809 706450703 /nfs/dbraw/zinc/45/07/03/706450703.db2.gz NERUMBKSIHSVEM-JCYILVPMSA-N 2 0 334.464 1.874 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC000999834851 707468214 /nfs/dbraw/zinc/46/82/14/707468214.db2.gz YDXJQSKBIPBZIG-FHERZECASA-N 2 0 331.464 1.521 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999051846 706472887 /nfs/dbraw/zinc/47/28/87/706472887.db2.gz STBOLAKOPFNPCI-UHFFFAOYSA-N 2 0 332.448 1.690 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)s1 ZINC000999320495 706820720 /nfs/dbraw/zinc/82/07/20/706820720.db2.gz ZQPBHUKUCHWGRZ-AWEZNQCLSA-N 2 0 333.461 1.888 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999146077 706559983 /nfs/dbraw/zinc/55/99/83/706559983.db2.gz UWKWGBGMXMIHDU-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CCn2cncn2)C1)[NH+]1CCCCC1 ZINC000999153673 706583406 /nfs/dbraw/zinc/58/34/06/706583406.db2.gz PMLKQANXMMENFO-INIZCTEOSA-N 2 0 348.495 1.123 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)s1 ZINC000999373827 706868476 /nfs/dbraw/zinc/86/84/76/706868476.db2.gz RIIGBMKJFHWRKI-HOCLYGCPSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cnc([C@H](C)[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999377916 706872064 /nfs/dbraw/zinc/87/20/64/706872064.db2.gz ONXKHFNSFJASTR-JKSUJKDBSA-N 2 0 345.491 1.911 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1)C1CCC1 ZINC000999366394 706879933 /nfs/dbraw/zinc/87/99/33/706879933.db2.gz XWJCZIOWRNFIMD-INIZCTEOSA-N 2 0 334.439 1.786 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)sn1 ZINC000999370898 706884757 /nfs/dbraw/zinc/88/47/57/706884757.db2.gz LWCVTMPANOZCSG-GOEBONIOSA-N 2 0 336.505 1.872 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1)C1CCC1 ZINC000999372570 706887083 /nfs/dbraw/zinc/88/70/83/706887083.db2.gz CIASUBSSNDSIRS-OAHLLOKOSA-N 2 0 345.491 1.394 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)on1 ZINC000999419856 706908144 /nfs/dbraw/zinc/90/81/44/706908144.db2.gz GBQHRRPHJMOYDL-BBRMVZONSA-N 2 0 338.452 1.350 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999401921 706909634 /nfs/dbraw/zinc/90/96/34/706909634.db2.gz AYPSDTCYIYZQAB-HPUBIQBYSA-N 2 0 346.475 1.511 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C1)[NH+](C)C ZINC000999431799 706939426 /nfs/dbraw/zinc/93/94/26/706939426.db2.gz FEEWOQGSOZQHRY-QRVBRYPASA-N 2 0 347.503 1.887 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000999499184 706997010 /nfs/dbraw/zinc/99/70/10/706997010.db2.gz ZXYLYHULNKVPTI-RHSMWYFYSA-N 2 0 336.480 1.966 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999505894 707003346 /nfs/dbraw/zinc/00/33/46/707003346.db2.gz MSYVEFXGVYVCSI-DAWZGUTISA-N 2 0 347.507 1.725 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000999505897 707003531 /nfs/dbraw/zinc/00/35/31/707003531.db2.gz MTVOLYOBLHNBSK-DQPZFDDXSA-N 2 0 348.495 1.157 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999506214 707003610 /nfs/dbraw/zinc/00/36/10/707003610.db2.gz PDJNAGFXKGQFEY-HTWSVDAQSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)ncn1 ZINC000999510763 707009384 /nfs/dbraw/zinc/00/93/84/707009384.db2.gz LYIRYMMUPCLFSJ-WBVHZDCISA-N 2 0 331.464 1.350 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)on1 ZINC000999511864 707010561 /nfs/dbraw/zinc/01/05/61/707010561.db2.gz MYCBIBLIQBHFSZ-UKRRQHHQSA-N 2 0 336.436 1.248 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999515015 707014081 /nfs/dbraw/zinc/01/40/81/707014081.db2.gz WVVXRKIAQAIXFS-DLBZAZTESA-N 2 0 334.439 1.786 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558159 707055880 /nfs/dbraw/zinc/05/58/80/707055880.db2.gz SXGCKEJCDQTZTA-ZIAGYGMSSA-N 2 0 338.496 1.094 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1)C12CCC[NH+]1CCC2 ZINC000999596923 707099999 /nfs/dbraw/zinc/09/99/99/707099999.db2.gz NLTSGNPRGKEBBX-IAGOWNOFSA-N 2 0 335.492 1.622 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999597965 707100495 /nfs/dbraw/zinc/10/04/95/707100495.db2.gz TUZKMMSMJMTKPA-OAHLLOKOSA-N 2 0 331.464 1.129 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)CC1 ZINC000999602268 707103900 /nfs/dbraw/zinc/10/39/00/707103900.db2.gz QTDWUBVGCPBWHN-UHFFFAOYSA-N 2 0 333.480 1.194 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC(NCc2ncc(C3CC3)o2)C1 ZINC000999682372 707167857 /nfs/dbraw/zinc/16/78/57/707167857.db2.gz OWRUUDREADDNTN-JEYLPNPQSA-N 2 0 346.475 1.973 20 0 EDADRP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999682669 707168671 /nfs/dbraw/zinc/16/86/71/707168671.db2.gz RSFDIIDGIHNZJD-KLAILNCOSA-N 2 0 330.476 1.811 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999700303 707230203 /nfs/dbraw/zinc/23/02/03/707230203.db2.gz ZFUNLBWLTLRYSP-FHERZECASA-N 2 0 346.475 1.767 20 0 EDADRP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H](C)CN1CC[NH+](CC)CC1 ZINC000921686240 707233120 /nfs/dbraw/zinc/23/31/20/707233120.db2.gz PSAFSXHFBSNRQB-CYBMUJFWSA-N 2 0 327.904 1.989 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CC[C@H]3C[NH+](CCCO)C[C@H]3CC2)CC[N@@H+]1C ZINC000946735743 707300582 /nfs/dbraw/zinc/30/05/82/707300582.db2.gz OAKWDBHMCBHVJM-XLAORIBOSA-N 2 0 337.508 1.270 20 0 EDADRP C[C@@H](C[NH2+]Cc1cccc(C(=O)N(C)C)c1)CN1CC[NH+](C)CC1 ZINC000921686721 707356924 /nfs/dbraw/zinc/35/69/24/707356924.db2.gz WVIVCOHRYGCTIX-INIZCTEOSA-N 2 0 332.492 1.362 20 0 EDADRP Cc1nocc1CN1CC[C@H](N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295740 707422421 /nfs/dbraw/zinc/42/24/21/707422421.db2.gz MQQYQRFBHSHUHY-ROUUACIJSA-N 2 0 346.475 1.890 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971562 707581958 /nfs/dbraw/zinc/58/19/58/707581958.db2.gz BVZSWXOQRTVFRO-QZTJIDSGSA-N 2 0 347.507 1.586 20 0 EDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926602 707668505 /nfs/dbraw/zinc/66/85/05/707668505.db2.gz MAWVXINHNDRSGM-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389571 707759912 /nfs/dbraw/zinc/75/99/12/707759912.db2.gz CXHKMQCPUFSYAD-KRWDZBQOSA-N 2 0 330.476 1.765 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1)[NH+](C)C ZINC000946765088 707766656 /nfs/dbraw/zinc/76/66/56/707766656.db2.gz HXDMHHDZUNVSGQ-MWDXBVQZSA-N 2 0 325.497 1.124 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCOc3ccccc3)C2)C1 ZINC001033415442 707792123 /nfs/dbraw/zinc/79/21/23/707792123.db2.gz IQTMRCPAAAKZCN-ZWKOTPCHSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001004977408 707812512 /nfs/dbraw/zinc/81/25/12/707812512.db2.gz QQCFWIPJXNGZRH-PBHICJAKSA-N 2 0 344.463 1.256 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033229857 707889000 /nfs/dbraw/zinc/88/90/00/707889000.db2.gz WUGYKPQRWVLTGE-IRXDYDNUSA-N 2 0 335.492 1.574 20 0 EDADRP Cn1ccc(-c2nc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cs2)n1 ZINC000921720963 707904219 /nfs/dbraw/zinc/90/42/19/707904219.db2.gz MYOLDFZYDCIJKO-OAHLLOKOSA-N 2 0 349.504 1.870 20 0 EDADRP C[C@H](c1cnccn1)N1CC[C@@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475314 707964879 /nfs/dbraw/zinc/96/48/79/707964879.db2.gz OKIAUGPJFBSVDH-NVXWUHKLSA-N 2 0 345.491 1.802 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001005183454 708133936 /nfs/dbraw/zinc/13/39/36/708133936.db2.gz IPFJWCLRBPZCST-GJZGRUSLSA-N 2 0 345.434 1.428 20 0 EDADRP CN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033575349 708249666 /nfs/dbraw/zinc/24/96/66/708249666.db2.gz QVOKJKRTFHTQII-IEBWSBKVSA-N 2 0 349.519 1.678 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582092 708264356 /nfs/dbraw/zinc/26/43/56/708264356.db2.gz NZLWFBSTKGLEBS-FUHWJXTLSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001001763147 708285930 /nfs/dbraw/zinc/28/59/30/708285930.db2.gz YCVFHAUIEQDNCG-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP CCc1noc(CN2CCC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001001824484 708327197 /nfs/dbraw/zinc/32/71/97/708327197.db2.gz IHLXDFSFWIZJKG-UKRRQHHQSA-N 2 0 349.479 1.158 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001001826236 708328493 /nfs/dbraw/zinc/32/84/93/708328493.db2.gz TZYRNKZKRXJZFL-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nc[nH]c1CC(=O)N(C)[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033615907 708341305 /nfs/dbraw/zinc/34/13/05/708341305.db2.gz DAIZWFSVSVJYGH-JKSUJKDBSA-N 2 0 334.464 1.610 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)Cc2[nH]cnc2C)C1)C1CCC1 ZINC001033615912 708341681 /nfs/dbraw/zinc/34/16/81/708341681.db2.gz DBZOTAXNIMBDOX-RDJZCZTQSA-N 2 0 334.464 1.608 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666789 708452384 /nfs/dbraw/zinc/45/23/84/708452384.db2.gz ZJZDOKOVXSFXEY-IAGOWNOFSA-N 2 0 331.460 1.680 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033659223 708470795 /nfs/dbraw/zinc/47/07/95/708470795.db2.gz WILKZONSQBNDHK-GOSISDBHSA-N 2 0 331.460 1.307 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ccns2)C1 ZINC001033838211 708867599 /nfs/dbraw/zinc/86/75/99/708867599.db2.gz MASFYONPDYSVSP-IIAWOOMASA-N 2 0 336.505 1.906 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001005399497 708886315 /nfs/dbraw/zinc/88/63/15/708886315.db2.gz TZPPKSBGSHLGHN-MOPGFXCFSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CC[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC001005407766 708911534 /nfs/dbraw/zinc/91/15/34/708911534.db2.gz TYTXZFBWVBEWKK-BPQIPLTHSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001005426340 708978301 /nfs/dbraw/zinc/97/83/01/708978301.db2.gz SHIRKFOGGZBJDF-ROUUACIJSA-N 2 0 335.492 1.739 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001033884309 708988058 /nfs/dbraw/zinc/98/80/58/708988058.db2.gz YPVKFSNEUOJEIU-GDBMZVCRSA-N 2 0 330.432 1.906 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1ccnn1C1CCC1)C(=O)NCC[NH+](C)C ZINC000921939734 709096735 /nfs/dbraw/zinc/09/67/35/709096735.db2.gz GBBZKFQDMFEGIL-KRWDZBQOSA-N 2 0 335.496 1.790 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2c(C)noc2C)C1 ZINC001034040917 709288857 /nfs/dbraw/zinc/28/88/57/709288857.db2.gz ZPYQQBZRTUEUHP-JKSUJKDBSA-N 2 0 334.464 1.666 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC001002811713 709417717 /nfs/dbraw/zinc/41/77/17/709417717.db2.gz QQUFCTIYIJAZBH-YJBOKZPZSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002833918 709449134 /nfs/dbraw/zinc/44/91/34/709449134.db2.gz QWWSLRQHLJRYIP-GOSISDBHSA-N 2 0 346.475 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001002859278 709466903 /nfs/dbraw/zinc/46/69/03/709466903.db2.gz OQDBYHOKWNVQLJ-RYQLBKOJSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034202728 709524530 /nfs/dbraw/zinc/52/45/30/709524530.db2.gz ANHMJXJAKQLUIR-IRXDYDNUSA-N 2 0 348.495 1.122 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCOCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210794 709561489 /nfs/dbraw/zinc/56/14/89/709561489.db2.gz JRCOXHNKCLJQKH-MOPGFXCFSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034285294 709687716 /nfs/dbraw/zinc/68/77/16/709687716.db2.gz BMGQQJQNNDSCHZ-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP Cc1cc(CN2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC001034387138 709916146 /nfs/dbraw/zinc/91/61/46/709916146.db2.gz WEQKGYVGTITPJJ-KRWDZBQOSA-N 2 0 347.507 1.541 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034397334 709938052 /nfs/dbraw/zinc/93/80/52/709938052.db2.gz KHNOQWMFQLYBNS-CRAIPNDOSA-N 2 0 343.487 1.816 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444945 709989242 /nfs/dbraw/zinc/98/92/42/709989242.db2.gz NSBOHXGPEUGWNR-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC001034431824 709999940 /nfs/dbraw/zinc/99/99/40/709999940.db2.gz PCXRCLAYFBPXSZ-GOSISDBHSA-N 2 0 347.507 1.586 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478868 710087683 /nfs/dbraw/zinc/08/76/83/710087683.db2.gz PMEZMDUYZDJNEB-QAPCUYQASA-N 2 0 337.508 1.460 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034482119 710106492 /nfs/dbraw/zinc/10/64/92/710106492.db2.gz ZTNPYSMTDZMBKF-MSOLQXFVSA-N 2 0 339.524 1.994 20 0 EDADRP Cc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)c1 ZINC001034525384 710174986 /nfs/dbraw/zinc/17/49/86/710174986.db2.gz LRPKGMFYFVWHBE-MSOLQXFVSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cncn1CC(=O)NC1CC[NH+](Cc2ncccc2C)CC1 ZINC001003311882 710240563 /nfs/dbraw/zinc/24/05/63/710240563.db2.gz HUESUPHERBKEDQ-UHFFFAOYSA-N 2 0 327.432 1.676 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1)OC ZINC001003374956 710292692 /nfs/dbraw/zinc/29/26/92/710292692.db2.gz FFFVCHJODUFHEK-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034647878 710323885 /nfs/dbraw/zinc/32/38/85/710323885.db2.gz AFDTZJNAMMOKBR-BQFCYCMXSA-N 2 0 346.475 1.842 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648557 710325249 /nfs/dbraw/zinc/32/52/49/710325249.db2.gz LVWODGVNSQLMFB-BZSNNMDCSA-N 2 0 345.491 1.242 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC001003546899 710413630 /nfs/dbraw/zinc/41/36/30/710413630.db2.gz FANNLURUEGDQKG-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1)C1CCC1 ZINC001003628479 710458187 /nfs/dbraw/zinc/45/81/87/710458187.db2.gz QKKGOXUDDDXPKB-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001003739434 710520114 /nfs/dbraw/zinc/52/01/14/710520114.db2.gz FEXABKQOIUGKCQ-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](F)CC[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003777979 710557491 /nfs/dbraw/zinc/55/74/91/710557491.db2.gz VJSHJGHGZZAEPK-AWEZNQCLSA-N 2 0 339.459 1.387 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034674439 710622721 /nfs/dbraw/zinc/62/27/21/710622721.db2.gz PNSXVMUGPDBICN-JYJNAYRXSA-N 2 0 331.464 1.478 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034675245 710627292 /nfs/dbraw/zinc/62/72/92/710627292.db2.gz YJFBBMGRYMJNJW-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC1 ZINC001003842457 710678477 /nfs/dbraw/zinc/67/84/77/710678477.db2.gz ZXQXNQVHIMWQSQ-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034733839 710914450 /nfs/dbraw/zinc/91/44/50/710914450.db2.gz DVACGUBOKFCKCB-BPUTZDHNSA-N 2 0 334.464 1.842 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001034734795 710917971 /nfs/dbraw/zinc/91/79/71/710917971.db2.gz ZDSKJQOYZHPUDS-DJIMGWMZSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1nnc(CN[C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)o1 ZINC001034735354 710919948 /nfs/dbraw/zinc/91/99/48/710919948.db2.gz FTMHBURREKTZFJ-SHTZXODSSA-N 2 0 349.479 1.627 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034739147 710933034 /nfs/dbraw/zinc/93/30/34/710933034.db2.gz YJTLSPLLAFFKMN-MIGQKNRLSA-N 2 0 334.464 1.698 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)[C@@H](c2ccccc2)C1 ZINC001034743056 710944265 /nfs/dbraw/zinc/94/42/65/710944265.db2.gz PJSQZJZXDJFSST-MKXGPGLRSA-N 2 0 345.487 1.341 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034736978 710947976 /nfs/dbraw/zinc/94/79/76/710947976.db2.gz FXNSHWASCVFXGG-VDHUWJSZSA-N 2 0 347.507 1.177 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001034737824 710951127 /nfs/dbraw/zinc/95/11/27/710951127.db2.gz NOTDHDFWROVUSB-MBGYTDRXSA-N 2 0 345.491 1.500 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001032958948 710982032 /nfs/dbraw/zinc/98/20/32/710982032.db2.gz CKBINHXGGNABLW-GJZGRUSLSA-N 2 0 336.505 1.621 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032969391 711047780 /nfs/dbraw/zinc/04/77/80/711047780.db2.gz WKIHRVBEJKZZDT-OALUTQOASA-N 2 0 345.487 1.960 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001034777085 711055489 /nfs/dbraw/zinc/05/54/89/711055489.db2.gz FONXBAZYXOANGF-WKILWMFISA-N 2 0 346.475 1.904 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034778232 711079699 /nfs/dbraw/zinc/07/96/99/711079699.db2.gz GBAFXNQTKYFYDU-XIRDDKMYSA-N 2 0 333.480 1.279 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034791895 711117374 /nfs/dbraw/zinc/11/73/74/711117374.db2.gz XEQZNHOXYKBCCP-BZUAXINKSA-N 2 0 331.464 1.254 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034791902 711117680 /nfs/dbraw/zinc/11/76/80/711117680.db2.gz XLGJHTCLUDEZIQ-KKUMJFAQSA-N 2 0 336.505 1.920 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792152 711118798 /nfs/dbraw/zinc/11/87/98/711118798.db2.gz GFMZAWJDVVNYMM-FAAHXZRKSA-N 2 0 334.468 1.143 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC001034792474 711119203 /nfs/dbraw/zinc/11/92/03/711119203.db2.gz KBBZLNFSURWLLN-XLAORIBOSA-N 2 0 337.508 1.914 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]Cc3cccnc3)cc2)C1 ZINC001034830776 711236690 /nfs/dbraw/zinc/23/66/90/711236690.db2.gz DIMSFUPTRAIETC-LJQANCHMSA-N 2 0 338.455 1.939 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)n1 ZINC001034942543 711395795 /nfs/dbraw/zinc/39/57/95/711395795.db2.gz XPISVIHGDROQRD-QZTJIDSGSA-N 2 0 345.491 1.325 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1conc1C ZINC001034954431 711420261 /nfs/dbraw/zinc/42/02/61/711420261.db2.gz QJQDKCJRPMILCN-IAGOWNOFSA-N 2 0 334.464 1.938 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034958839 711432661 /nfs/dbraw/zinc/43/26/61/711432661.db2.gz MLEUGCYKTTYJEZ-IAGOWNOFSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ncn1 ZINC001034939448 711441577 /nfs/dbraw/zinc/44/15/77/711441577.db2.gz ARSXAJYQWVALNY-DJIMGWMZSA-N 2 0 331.464 1.206 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC001034939826 711442733 /nfs/dbraw/zinc/44/27/33/711442733.db2.gz NIGYAXOKTGVGIU-DJIMGWMZSA-N 2 0 346.475 1.511 20 0 EDADRP O=C(N1CCC[C@@H]1C[NH2+]C[C@@H]1CCCOC1)C12CCC[NH+](CCC1)C2 ZINC001034969487 711448512 /nfs/dbraw/zinc/44/85/12/711448512.db2.gz CIJSHDGFZORKJZ-ZWKOTPCHSA-N 2 0 349.519 1.870 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001034972197 711452032 /nfs/dbraw/zinc/45/20/32/711452032.db2.gz CUNJUNYKORLSGW-AEFFLSMTSA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc3oc(=O)oc3c1)C2 ZINC000922391211 711456096 /nfs/dbraw/zinc/45/60/96/711456096.db2.gz URHSJNFLSSDUIF-GNSPCKGOSA-N 2 0 346.427 1.955 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)C3CCCCC3)CC2)C1 ZINC001004151338 711569000 /nfs/dbraw/zinc/56/90/00/711569000.db2.gz WZRHXRXKXNCLRY-SJLPKXTDSA-N 2 0 337.508 1.460 20 0 EDADRP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@@H+](Cc4ccon4)C[C@H]3CC2)CCC1 ZINC000946621073 711902524 /nfs/dbraw/zinc/90/25/24/711902524.db2.gz IVBXELJWKGDWNF-IYBDPMFKSA-N 2 0 346.475 1.829 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599122 712043178 /nfs/dbraw/zinc/04/31/78/712043178.db2.gz CJNABMKVCTYMBY-RDJZCZTQSA-N 2 0 335.492 1.166 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)c1cccs1 ZINC000187815473 282241942 /nfs/dbraw/zinc/24/19/42/282241942.db2.gz YVVATGWPCGUAKB-CQSZACIVSA-N 2 0 340.493 1.372 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440990670 539332227 /nfs/dbraw/zinc/33/22/27/539332227.db2.gz WRCCVDZJEOHFSH-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP CN(C/C=C\CN(C)[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000340196922 282336058 /nfs/dbraw/zinc/33/60/58/282336058.db2.gz GEOKNBJQIXNKQA-PYSGZSLQSA-N 2 0 332.536 1.880 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433918511 305114574 /nfs/dbraw/zinc/11/45/74/305114574.db2.gz JXOBLEWGGSGJKP-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP COc1ccc(OC)c(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000560516045 306272982 /nfs/dbraw/zinc/27/29/82/306272982.db2.gz GALCNEGYLSPCPI-LZWOXQAQSA-N 2 0 338.448 1.264 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000342972924 539768539 /nfs/dbraw/zinc/76/85/39/539768539.db2.gz ADAKSSNILLLRIA-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000342993907 539773178 /nfs/dbraw/zinc/77/31/78/539773178.db2.gz UIDKOQNVRYKJFM-HRCADAONSA-N 2 0 340.512 1.070 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000344637931 539813691 /nfs/dbraw/zinc/81/36/91/539813691.db2.gz PHWAAACXDOXARD-ROUUACIJSA-N 2 0 333.476 1.816 20 0 EDADRP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)COc1ccc2c(c1)OCO2 ZINC000166301795 539922137 /nfs/dbraw/zinc/92/21/37/539922137.db2.gz CDRBERKZRXYEJN-RRFJBIMHSA-N 2 0 334.416 1.371 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@H]3CC[NH2+]C3)c2)CC1 ZINC000562758822 306308081 /nfs/dbraw/zinc/30/80/81/306308081.db2.gz OCQWFDYBBXJQQT-MRXNPFEDSA-N 2 0 345.491 1.950 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000563037555 306316392 /nfs/dbraw/zinc/31/63/92/306316392.db2.gz AGQHHEXRXZLDPV-ALOPSCKCSA-N 2 0 329.444 1.179 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489380611 540035082 /nfs/dbraw/zinc/03/50/82/540035082.db2.gz QFJVDWMGUNNTAA-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000563598261 306341030 /nfs/dbraw/zinc/34/10/30/306341030.db2.gz DQSCPOWHBOGHRY-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000130297025 138340715 /nfs/dbraw/zinc/34/07/15/138340715.db2.gz NGCBTBGEWDFMJS-IYBDPMFKSA-N 2 0 333.476 1.977 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CCn3ccnc3)C2=O)c1 ZINC000132030773 138370342 /nfs/dbraw/zinc/37/03/42/138370342.db2.gz WAVVEKHCVIEOAW-KRWDZBQOSA-N 2 0 344.415 1.638 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000187799093 236303743 /nfs/dbraw/zinc/30/37/43/236303743.db2.gz QFFSXZHWELNVFS-QGZVFWFLSA-N 2 0 345.491 1.639 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000563945436 306353013 /nfs/dbraw/zinc/35/30/13/306353013.db2.gz KXFBEWRWDIEKJH-MKXGPGLRSA-N 2 0 344.503 1.847 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000564205126 306356823 /nfs/dbraw/zinc/35/68/23/306356823.db2.gz WKKWNIPWEXIURG-WBVHZDCISA-N 2 0 339.455 1.039 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000413844130 304080170 /nfs/dbraw/zinc/08/01/70/304080170.db2.gz LFSNDQUWGPCYHE-ULQDDVLXSA-N 2 0 338.540 1.780 20 0 EDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333745 299289063 /nfs/dbraw/zinc/28/90/63/299289063.db2.gz JQQIAYHIGBBBLV-GOEBONIOSA-N 2 0 332.510 1.026 20 0 EDADRP CCc1cccc(OC[C@@H](O)C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000564724133 306363864 /nfs/dbraw/zinc/36/38/64/306363864.db2.gz VBEURQWZEZQYJY-HKUYNNGSSA-N 2 0 349.519 1.462 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000364875585 296027686 /nfs/dbraw/zinc/02/76/86/296027686.db2.gz AHDXOSGYVOYUHW-NVXWUHKLSA-N 2 0 333.480 1.711 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000188220418 138834609 /nfs/dbraw/zinc/83/46/09/138834609.db2.gz UNRSRCOGDZKZQM-YQQAZPJKSA-N 2 0 331.460 1.248 20 0 EDADRP [NH3+]Cc1ccc(-c2noc(-c3cn(C[C@@H]4CCC[NH2+]4)nn3)n2)cc1 ZINC000414483158 304118309 /nfs/dbraw/zinc/11/83/09/304118309.db2.gz FECOGCAWPFZIIZ-ZDUSSCGKSA-N 2 0 325.376 1.206 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)C1=CC[N@H+](C)CC1 ZINC000566132723 306399540 /nfs/dbraw/zinc/39/95/40/306399540.db2.gz ZSIFWYVZMRYDPX-ZFWWWQNUSA-N 2 0 334.416 1.395 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000414704301 304130504 /nfs/dbraw/zinc/13/05/04/304130504.db2.gz MVXRDHVNBQGUPD-DLBZAZTESA-N 2 0 344.459 1.478 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NCCC[NH3+])CC1 ZINC000414727515 304133510 /nfs/dbraw/zinc/13/35/10/304133510.db2.gz MVVSCXLAFHHTSB-UHFFFAOYSA-N 2 0 339.871 1.952 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)N(C)CC[NH3+])CC1 ZINC000414731294 304134094 /nfs/dbraw/zinc/13/40/94/304134094.db2.gz SQZOZPCLXUWIGT-UHFFFAOYSA-N 2 0 339.871 1.904 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)c1 ZINC000414734372 304134657 /nfs/dbraw/zinc/13/46/57/304134657.db2.gz KVQKVZDEWGOQPS-JKSUJKDBSA-N 2 0 331.460 1.841 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCCC2(CC[NH2+]CC2)C1 ZINC000372611724 296109531 /nfs/dbraw/zinc/10/95/31/296109531.db2.gz KWNILNQZVLSXTA-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1nn2c(C[NH2+]CCCN3CC[NH2+]CC3)c(C(C)C)nc2s1 ZINC000414784838 304140349 /nfs/dbraw/zinc/14/03/49/304140349.db2.gz UBKSPSYAWBQHJD-UHFFFAOYSA-N 2 0 336.509 1.608 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000414820566 304144796 /nfs/dbraw/zinc/14/47/96/304144796.db2.gz ACXNEMKMNBRAPZ-OAHLLOKOSA-N 2 0 330.432 1.217 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414827214 304145295 /nfs/dbraw/zinc/14/52/95/304145295.db2.gz GVTTZBXTLQMOMY-KGLIPLIRSA-N 2 0 333.432 1.780 20 0 EDADRP CCn1nc(C)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414989565 304148583 /nfs/dbraw/zinc/14/85/83/304148583.db2.gz QPXIBWZQLRSGMX-AWEZNQCLSA-N 2 0 333.402 1.446 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)cn2)CC1 ZINC000566857673 306430995 /nfs/dbraw/zinc/43/09/95/306430995.db2.gz GNNKTUFMBUKJEB-RDJZCZTQSA-N 2 0 345.491 1.228 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)c2csc(CC[NH3+])n2)c1 ZINC000194827645 139000879 /nfs/dbraw/zinc/00/08/79/139000879.db2.gz YCYXBBCLGHKETO-UHFFFAOYSA-N 2 0 348.472 1.515 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC[C@H]2CCC[NH2+]C2)C1 ZINC000415120690 304161671 /nfs/dbraw/zinc/16/16/71/304161671.db2.gz LWEPVPAEAXJWBK-RDJZCZTQSA-N 2 0 330.476 1.795 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415126889 304162286 /nfs/dbraw/zinc/16/22/86/304162286.db2.gz HFSVFUUNQDRMGU-UHFFFAOYSA-N 2 0 327.476 1.812 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000415139068 304163535 /nfs/dbraw/zinc/16/35/35/304163535.db2.gz HXXIWCBJRPOGEB-HEHGZKQESA-N 2 0 330.432 1.340 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000415138077 304163545 /nfs/dbraw/zinc/16/35/45/304163545.db2.gz GKYUEXVDVVFYPO-YOEHRIQHSA-N 2 0 344.459 1.430 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415143204 304164031 /nfs/dbraw/zinc/16/40/31/304164031.db2.gz AMKHJUQUUNAMHS-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415155991 304166915 /nfs/dbraw/zinc/16/69/15/304166915.db2.gz WFPIXEQRXYRZEM-WMLDXEAASA-N 2 0 346.475 1.533 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000236659955 139027776 /nfs/dbraw/zinc/02/77/76/139027776.db2.gz NMCUZUNRUFEXPM-IBGZPJMESA-N 2 0 346.519 1.636 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000236747229 139030239 /nfs/dbraw/zinc/03/02/39/139030239.db2.gz NUVRQOLXSKNALR-ZDUSSCGKSA-N 2 0 334.420 1.468 20 0 EDADRP COc1ccc([C@@H]2[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)CCC[N@@H+]2C)cc1 ZINC000237300674 139046958 /nfs/dbraw/zinc/04/69/58/139046958.db2.gz GHFXQTWIFPDMBI-BPQIPLTHSA-N 2 0 331.460 1.946 20 0 EDADRP COCC[NH2+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000237299208 139046985 /nfs/dbraw/zinc/04/69/85/139046985.db2.gz ROMARKRREBVMCH-MRXNPFEDSA-N 2 0 337.439 1.390 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000237370114 139049350 /nfs/dbraw/zinc/04/93/50/139049350.db2.gz VRWGJLCTTDUJLK-APWZRJJASA-N 2 0 344.503 1.633 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000415175333 304171117 /nfs/dbraw/zinc/17/11/17/304171117.db2.gz WOTNJOCFIVOWPA-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297732 284347514 /nfs/dbraw/zinc/34/75/14/284347514.db2.gz NAZUJBDRVRKKKA-PKOBYXMFSA-N 2 0 346.519 1.679 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC000496172474 284349757 /nfs/dbraw/zinc/34/97/57/284349757.db2.gz RTFYFFCEGFWGNQ-ARFHVFGLSA-N 2 0 343.512 1.972 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@@H](O)C[NH3+])cc1 ZINC000415191958 304173205 /nfs/dbraw/zinc/17/32/05/304173205.db2.gz ZFRVAWWVGBYOMD-HNNXBMFYSA-N 2 0 338.452 1.191 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](C)N1CCc2sccc2C1 ZINC000237518780 139053119 /nfs/dbraw/zinc/05/31/19/139053119.db2.gz LXRSOGGXECYBSH-DGCLKSJQSA-N 2 0 327.519 1.691 20 0 EDADRP C[C@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237548351 139053811 /nfs/dbraw/zinc/05/38/11/139053811.db2.gz ZOMUJWZIMOIAHG-AEFFLSMTSA-N 2 0 337.508 1.583 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCC[NH2+]C1 ZINC000237986416 139065749 /nfs/dbraw/zinc/06/57/49/139065749.db2.gz VOKGBARWODAVBT-KRWDZBQOSA-N 2 0 330.476 1.457 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000238150813 139069750 /nfs/dbraw/zinc/06/97/50/139069750.db2.gz QDJFGFDMXBVQTE-QGZVFWFLSA-N 2 0 345.443 1.924 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NCc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000245420919 139073599 /nfs/dbraw/zinc/07/35/99/139073599.db2.gz HROUTJNFIJFFQQ-GOEBONIOSA-N 2 0 347.459 1.694 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@@](C)(O)C(F)(F)F)ccn2)CC1 ZINC000567678337 306458668 /nfs/dbraw/zinc/45/86/68/306458668.db2.gz QBPUKDWVXFNYQT-CQSZACIVSA-N 2 0 332.370 1.236 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC000245877036 139088278 /nfs/dbraw/zinc/08/82/78/139088278.db2.gz MPPXZFOOAAZOER-SJORKVTESA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000567817691 306464212 /nfs/dbraw/zinc/46/42/12/306464212.db2.gz NTSJKSGMKZYWEJ-UHFFFAOYSA-N 2 0 325.497 1.773 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000246352356 139105116 /nfs/dbraw/zinc/10/51/16/139105116.db2.gz PISZCEVQMWTDRG-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415313781 304192254 /nfs/dbraw/zinc/19/22/54/304192254.db2.gz IIFHSFZODFGHQN-QGZVFWFLSA-N 2 0 344.459 1.132 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NCCCOC2CCCCC2)CC1 ZINC000568401588 306480966 /nfs/dbraw/zinc/48/09/66/306480966.db2.gz XIWZICFAJCBXIV-UHFFFAOYSA-N 2 0 325.497 1.903 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000415373826 304207391 /nfs/dbraw/zinc/20/73/91/304207391.db2.gz CNYUHOWCFLFOAW-AWEZNQCLSA-N 2 0 346.475 1.315 20 0 EDADRP CC[C@H]1CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000247260273 139142856 /nfs/dbraw/zinc/14/28/56/139142856.db2.gz YJYIEVNQDHIFSU-ROUUACIJSA-N 2 0 339.524 1.972 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247604083 139152932 /nfs/dbraw/zinc/15/29/32/139152932.db2.gz LKYURRXXZBVHQS-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP COCc1cccc(CNC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000247964438 139156443 /nfs/dbraw/zinc/15/64/43/139156443.db2.gz GPUHKROPBTZIMC-RBUKOAKNSA-N 2 0 345.487 1.865 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096599 139185474 /nfs/dbraw/zinc/18/54/74/139185474.db2.gz IIBWUSQBKHLYGU-RKVPGOIHSA-N 2 0 325.497 1.900 20 0 EDADRP CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000249394082 139192539 /nfs/dbraw/zinc/19/25/39/139192539.db2.gz AOGKBGBKAWAILI-IXDOHACOSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1ccc2c(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc(=O)oc2c1 ZINC000261600142 139209639 /nfs/dbraw/zinc/20/96/39/139209639.db2.gz AYWLHUJXQPZACG-CQSZACIVSA-N 2 0 343.427 1.388 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261538168 139208711 /nfs/dbraw/zinc/20/87/11/139208711.db2.gz MQQCTJRXEYBQKE-KRWDZBQOSA-N 2 0 331.460 1.536 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1csc(CC[NH3+])n1 ZINC000261552872 139208856 /nfs/dbraw/zinc/20/88/56/139208856.db2.gz RZCHXIKOBLCPSW-UHFFFAOYSA-N 2 0 332.473 1.848 20 0 EDADRP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561743 139209074 /nfs/dbraw/zinc/20/90/74/139209074.db2.gz VTDFAEBOGCCZIO-JQHSSLGASA-N 2 0 331.460 1.392 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000415450993 304221782 /nfs/dbraw/zinc/22/17/82/304221782.db2.gz ZJERIDMPDDMERJ-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOCC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000261613363 139211075 /nfs/dbraw/zinc/21/10/75/139211075.db2.gz BHIUZQMLOLICFB-QWHCGFSZSA-N 2 0 337.386 1.146 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261740521 139222246 /nfs/dbraw/zinc/22/22/46/139222246.db2.gz IKLGIZCNFIJUOX-YVLXSGLVSA-N 2 0 340.265 1.737 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000261756728 139223566 /nfs/dbraw/zinc/22/35/66/139223566.db2.gz VITCVWDSZFUNFH-QGZVFWFLSA-N 2 0 340.427 1.104 20 0 EDADRP [NH3+][C@@H]1CN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1 ZINC000261752441 139223080 /nfs/dbraw/zinc/22/30/80/139223080.db2.gz NKJKZSCDVMDKFD-RBUKOAKNSA-N 2 0 342.487 1.156 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCCN(Cc2coc(-c3cccs3)n2)C1 ZINC000261833099 139229931 /nfs/dbraw/zinc/22/99/31/139229931.db2.gz XWSXJGCISGWRPL-LBPRGKRZSA-N 2 0 334.445 1.690 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000415503742 304225153 /nfs/dbraw/zinc/22/51/53/304225153.db2.gz SBFMSSBYTWWUIO-QGZVFWFLSA-N 2 0 331.464 1.784 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000415504299 304225232 /nfs/dbraw/zinc/22/52/32/304225232.db2.gz XNTROAHAVSLHFZ-INIZCTEOSA-N 2 0 332.448 1.206 20 0 EDADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262068707 139248284 /nfs/dbraw/zinc/24/82/84/139248284.db2.gz BTEOFAVRTDZCRI-HNNXBMFYSA-N 2 0 329.423 1.695 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@](C)(C[NH3+])C3)CC2)c1 ZINC000262134893 139254005 /nfs/dbraw/zinc/25/40/05/139254005.db2.gz WUAFXJQDPCZSRV-FQEVSTJZSA-N 2 0 344.503 1.704 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)CCO3)C1)[C@@H]1CCC[NH2+]1 ZINC000262175826 139257496 /nfs/dbraw/zinc/25/74/96/139257496.db2.gz IGEJZTNPQRNCMF-AEFFLSMTSA-N 2 0 343.471 1.702 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N(C)C2CC([NH3+])C2)cc1 ZINC000415790836 251027942 /nfs/dbraw/zinc/02/79/42/251027942.db2.gz PWACVURESCAIHP-UHFFFAOYSA-N 2 0 332.448 1.415 20 0 EDADRP Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262208745 139260108 /nfs/dbraw/zinc/26/01/08/139260108.db2.gz SUZFNNFOLHLUTC-KRWDZBQOSA-N 2 0 341.459 1.532 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015040 251047977 /nfs/dbraw/zinc/04/79/77/251047977.db2.gz VWDJGKGSVDGGKP-GXSJLCMTSA-N 2 0 328.404 1.003 20 0 EDADRP CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCCC2 ZINC000262221197 139261252 /nfs/dbraw/zinc/26/12/52/139261252.db2.gz UOCPWMRRPCEXMX-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCO1 ZINC000416990598 251119576 /nfs/dbraw/zinc/11/95/76/251119576.db2.gz WWRQNDHJQWRWHN-GOSISDBHSA-N 2 0 346.475 1.542 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000262301294 139268166 /nfs/dbraw/zinc/26/81/66/139268166.db2.gz KRCJQQGGZQDYJR-QGZVFWFLSA-N 2 0 325.497 1.903 20 0 EDADRP CC[C@H](CNC(=O)N1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417015049 251132503 /nfs/dbraw/zinc/13/25/03/251132503.db2.gz LXHCHBAFARCRFZ-GOSISDBHSA-N 2 0 330.476 1.828 20 0 EDADRP CC(C)([NH3+])CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417017353 251134887 /nfs/dbraw/zinc/13/48/87/251134887.db2.gz JIDUWMJECWMVSV-UHFFFAOYSA-N 2 0 333.480 1.235 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000417020542 251137179 /nfs/dbraw/zinc/13/71/79/251137179.db2.gz MIDUHDZQNIGBFF-WMZOPIPTSA-N 2 0 345.491 1.187 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417004532 251126949 /nfs/dbraw/zinc/12/69/49/251126949.db2.gz CNPDEYIMPJFVMY-OLMNPRSZSA-N 2 0 330.476 1.954 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCC[NH2+]1 ZINC000417025101 251139909 /nfs/dbraw/zinc/13/99/09/251139909.db2.gz XNVNVJCDIWQXTD-HOCLYGCPSA-N 2 0 340.493 1.419 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000417173050 251144374 /nfs/dbraw/zinc/14/43/74/251144374.db2.gz KYVIRHPHOJRKIK-KGLIPLIRSA-N 2 0 344.381 1.725 20 0 EDADRP COC[C@H]([NH3+])C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000262332288 139270863 /nfs/dbraw/zinc/27/08/63/139270863.db2.gz RUKCQPPQMACPPF-INIZCTEOSA-N 2 0 348.447 1.413 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417312154 251155816 /nfs/dbraw/zinc/15/58/16/251155816.db2.gz NCVAEORHMDJPJN-KSZLIROESA-N 2 0 348.491 1.745 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000262357633 139272789 /nfs/dbraw/zinc/27/27/89/139272789.db2.gz IDABESTZWXTBAK-OLMNPRSZSA-N 2 0 331.460 1.258 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417324013 251159753 /nfs/dbraw/zinc/15/97/53/251159753.db2.gz ZLAAUODAVXHMGJ-BMFZPTHFSA-N 2 0 326.485 1.255 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000417519678 251182603 /nfs/dbraw/zinc/18/26/03/251182603.db2.gz VQWCEGUWEYFASY-MSOLQXFVSA-N 2 0 348.491 1.747 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000417557310 251186439 /nfs/dbraw/zinc/18/64/39/251186439.db2.gz RGIZOXVJRWJHCL-AEFFLSMTSA-N 2 0 340.512 1.709 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417435466 251172070 /nfs/dbraw/zinc/17/20/70/251172070.db2.gz BMAOUENCPTYBPL-GOEBONIOSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000417587869 251199345 /nfs/dbraw/zinc/19/93/45/251199345.db2.gz SREKUYXIYKWTJW-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000417666489 251218694 /nfs/dbraw/zinc/21/86/94/251218694.db2.gz CXSHVESZJKBTPR-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@H]2C)[C@@H](C)C1 ZINC000417666597 251219586 /nfs/dbraw/zinc/21/95/86/251219586.db2.gz DJYDWBWGZPRTCH-FZKCQIBNSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617554 251207447 /nfs/dbraw/zinc/20/74/47/251207447.db2.gz CBLOWGLAIGNIHR-NVXWUHKLSA-N 2 0 348.491 1.794 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N(CC[NH3+])CCO)CC1 ZINC000417687868 251229138 /nfs/dbraw/zinc/22/91/38/251229138.db2.gz IGHCHTWOUWUIHD-OAHLLOKOSA-N 2 0 334.464 1.175 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[C@@H](C)C1 ZINC000417670870 251222602 /nfs/dbraw/zinc/22/26/02/251222602.db2.gz OYGNMNFCRYVZMC-VGWMRTNUSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417831974 251288584 /nfs/dbraw/zinc/28/85/84/251288584.db2.gz SQOJMIIVBROSDW-NJAFHUGGSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417835662 251290069 /nfs/dbraw/zinc/29/00/69/251290069.db2.gz GPTVTZNQUZIBAJ-HNNXBMFYSA-N 2 0 326.485 1.306 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)CC1 ZINC000417798852 251274218 /nfs/dbraw/zinc/27/42/18/251274218.db2.gz AXJBQIWQYHVZAR-GJZGRUSLSA-N 2 0 326.485 1.255 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417806235 251276733 /nfs/dbraw/zinc/27/67/33/251276733.db2.gz AQZXTUXQVZRXRY-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH3+])CCc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000417992153 251319503 /nfs/dbraw/zinc/31/95/03/251319503.db2.gz LYLYKHKMYRZMBR-MRXNPFEDSA-N 2 0 330.476 1.850 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418108985 251325295 /nfs/dbraw/zinc/32/52/95/251325295.db2.gz BZNSSQASXRVZIW-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000418108983 251325475 /nfs/dbraw/zinc/32/54/75/251325475.db2.gz BZNSSQASXRVZIW-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418111118 251326618 /nfs/dbraw/zinc/32/66/18/251326618.db2.gz GJMDVUXGWYXHEN-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000418113396 251327121 /nfs/dbraw/zinc/32/71/21/251327121.db2.gz JHZOXOBMPSDHJL-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418422691 251367069 /nfs/dbraw/zinc/36/70/69/251367069.db2.gz BIJDPUWPBVVBCU-OWCLPIDISA-N 2 0 326.485 1.288 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418424343 251367636 /nfs/dbraw/zinc/36/76/36/251367636.db2.gz GWGLFKMYRIKAKC-QZTJIDSGSA-N 2 0 348.491 1.829 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000418429494 251368652 /nfs/dbraw/zinc/36/86/52/251368652.db2.gz NRLRNVBNFMTZLC-NVXWUHKLSA-N 2 0 332.448 1.050 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418346899 251361689 /nfs/dbraw/zinc/36/16/89/251361689.db2.gz MVRZDVONZIALIC-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)C[C@H]1CC ZINC000418706963 251389755 /nfs/dbraw/zinc/38/97/55/251389755.db2.gz HWEPDCNCFSBEHG-OLZOCXBDSA-N 2 0 336.427 1.111 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679912 251384938 /nfs/dbraw/zinc/38/49/38/251384938.db2.gz XKQQEBRYELGQDY-PIIMJCKOSA-N 2 0 330.476 1.758 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000418685764 251386486 /nfs/dbraw/zinc/38/64/86/251386486.db2.gz ZTJDYQWMWDJALD-ZIAGYGMSSA-N 2 0 326.391 1.763 20 0 EDADRP C[C@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262564147 139286884 /nfs/dbraw/zinc/28/68/84/139286884.db2.gz BKNNSJWKVHNFNX-HZPDHXFCSA-N 2 0 348.466 1.452 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418774493 251427914 /nfs/dbraw/zinc/42/79/14/251427914.db2.gz YSHFIPSGLKAYPY-GVDBMIGSSA-N 2 0 340.512 1.565 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000262677913 139295691 /nfs/dbraw/zinc/29/56/91/139295691.db2.gz UUUVGTUTTIRTDK-MAUKXSAKSA-N 2 0 333.476 1.546 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262719701 139298915 /nfs/dbraw/zinc/29/89/15/139298915.db2.gz FKFZVGIPXAMLFM-CQSZACIVSA-N 2 0 332.448 1.578 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262768233 139302236 /nfs/dbraw/zinc/30/22/36/139302236.db2.gz MCIQGANAFPYEIZ-MRXNPFEDSA-N 2 0 333.480 1.802 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000422860734 252003064 /nfs/dbraw/zinc/00/30/64/252003064.db2.gz MUAYEKYCJYPZNS-JKSUJKDBSA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320357 252045816 /nfs/dbraw/zinc/04/58/16/252045816.db2.gz GDBWLNYMBZRYNO-DOTOQJQBSA-N 2 0 339.505 1.873 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344334 252048015 /nfs/dbraw/zinc/04/80/15/252048015.db2.gz XQTXYOFNNYJVLE-OAGGEKHMSA-N 2 0 347.507 1.975 20 0 EDADRP C[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C[NH+]1CCCCC1 ZINC000423351232 252048981 /nfs/dbraw/zinc/04/89/81/252048981.db2.gz HOXKYYYIDBPBIC-NVXWUHKLSA-N 2 0 333.480 1.659 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000423645283 252063398 /nfs/dbraw/zinc/06/33/98/252063398.db2.gz KSFFZGFLXFWHCL-SJLPKXTDSA-N 2 0 330.476 1.537 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCc3nc(CC)nn3C2)CC[NH2+]CC1 ZINC000422992305 252022854 /nfs/dbraw/zinc/02/28/54/252022854.db2.gz PPZLHWAFHVBTBA-UONOGXRCSA-N 2 0 349.479 1.066 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423840640 252089261 /nfs/dbraw/zinc/08/92/61/252089261.db2.gz LLDBZEPXYIBZOS-SFHVURJKSA-N 2 0 333.476 1.516 20 0 EDADRP C[C@@H]1C[C@H](C)[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000424020542 252116121 /nfs/dbraw/zinc/11/61/21/252116121.db2.gz PJENNPYWTKSGSL-LZLYRXPVSA-N 2 0 345.487 1.910 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424139431 252139806 /nfs/dbraw/zinc/13/98/06/252139806.db2.gz AKYZLLPCTUSHSF-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP Cn1cc(C(=O)NCc2ccc3c(c2)C[NH2+]C3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424158141 252146836 /nfs/dbraw/zinc/14/68/36/252146836.db2.gz OILPGJYPSOZNLB-OAHLLOKOSA-N 2 0 339.443 1.420 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000424158529 252147060 /nfs/dbraw/zinc/14/70/60/252147060.db2.gz TUFDZAHUGWNMOE-IOASZLSFSA-N 2 0 331.464 1.100 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424132571 252135995 /nfs/dbraw/zinc/13/59/95/252135995.db2.gz KXYGGEKALXWZPC-OAHLLOKOSA-N 2 0 347.507 1.737 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000262968059 139315870 /nfs/dbraw/zinc/31/58/70/139315870.db2.gz XIFGUQJGFHTYAR-QZTJIDSGSA-N 2 0 344.503 1.764 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424441290 252232661 /nfs/dbraw/zinc/23/26/61/252232661.db2.gz WRCDISCLBGFKDB-MRXNPFEDSA-N 2 0 347.507 1.849 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000333947450 285009906 /nfs/dbraw/zinc/00/99/06/285009906.db2.gz VPDJVQNOMZQXDA-HOTGVXAUSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NCC[C@H]3CCC[NH2+]3)ccc21 ZINC000415627144 304242101 /nfs/dbraw/zinc/24/21/01/304242101.db2.gz WULDOMCUPXNQOH-PBHICJAKSA-N 2 0 344.459 1.432 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCCC[C@H]2C)C1 ZINC000347047084 285058541 /nfs/dbraw/zinc/05/85/41/285058541.db2.gz QWNXSAIJZJNQMZ-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112297639 220292173 /nfs/dbraw/zinc/29/21/73/220292173.db2.gz YFVJPUKMLRRKDT-KRWDZBQOSA-N 2 0 345.491 1.438 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000112464675 220332524 /nfs/dbraw/zinc/33/25/24/220332524.db2.gz APGXSPHWVRFPRM-MRXNPFEDSA-N 2 0 328.501 1.110 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415754979 304266052 /nfs/dbraw/zinc/26/60/52/304266052.db2.gz BQLCUJOUSRPBRW-HNNXBMFYSA-N 2 0 346.475 1.855 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000153789496 224157905 /nfs/dbraw/zinc/15/79/05/224157905.db2.gz VZRDPUDSRPIFBW-MJGOQNOKSA-N 2 0 334.508 1.850 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000487277503 255028298 /nfs/dbraw/zinc/02/82/98/255028298.db2.gz GGEWPRXOCWCAGU-YXWQFLTLSA-N 2 0 339.480 1.974 20 0 EDADRP C[C@H]1[C@H](CO)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746368 255051920 /nfs/dbraw/zinc/05/19/20/255051920.db2.gz FWPCRHNPOGYHBC-LPHOPBHVSA-N 2 0 345.487 1.601 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC[NH3+] ZINC000418701609 285245380 /nfs/dbraw/zinc/24/53/80/285245380.db2.gz KHGGLMVWCNORNS-HZPDHXFCSA-N 3 0 327.517 1.171 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000493370520 255207079 /nfs/dbraw/zinc/20/70/79/255207079.db2.gz POGBMTCEWBZJIH-WAYWQWQTSA-N 2 0 331.460 1.895 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000493501092 255212638 /nfs/dbraw/zinc/21/26/38/255212638.db2.gz UASUMZDNAZWUBF-TWGQIWQCSA-N 2 0 330.476 1.038 20 0 EDADRP CC(C)(C)OC(=O)NC1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000494556602 255253438 /nfs/dbraw/zinc/25/34/38/255253438.db2.gz XEZDWNNVWQBJSC-GPANFISMSA-N 2 0 341.496 1.869 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1CCC(O)CC1 ZINC000471970257 285275741 /nfs/dbraw/zinc/27/57/41/285275741.db2.gz XBIKBMQVYGQCND-CGZBRXJRSA-N 2 0 325.497 1.412 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cccc2c1OCO2 ZINC000337593803 285281116 /nfs/dbraw/zinc/28/11/16/285281116.db2.gz ZJUHQRFRZQKESA-HNNXBMFYSA-N 2 0 347.459 1.903 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)c1 ZINC000118123257 221124535 /nfs/dbraw/zinc/12/45/35/221124535.db2.gz YGXBXILDSNFXAM-UHFFFAOYSA-N 2 0 348.491 1.923 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418346503 285313688 /nfs/dbraw/zinc/31/36/88/285313688.db2.gz MSFWIMKZLNTAKA-INIZCTEOSA-N 2 0 339.528 1.091 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425899971 285322130 /nfs/dbraw/zinc/32/21/30/285322130.db2.gz MQPKBTHECBMZKK-MRXNPFEDSA-N 3 0 349.523 1.505 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH+]2CCC[C@H]2CO)CC1 ZINC000264287333 139393735 /nfs/dbraw/zinc/39/37/35/139393735.db2.gz QHXOKTINVYSRTA-IBGZPJMESA-N 2 0 345.487 1.486 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000264302579 139395256 /nfs/dbraw/zinc/39/52/56/139395256.db2.gz OLIDRKPGXCQSCG-UHFFFAOYSA-N 2 0 348.491 1.517 20 0 EDADRP COC(=O)C1CCC([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000192438825 533280629 /nfs/dbraw/zinc/28/06/29/533280629.db2.gz XBTJMQPAWISGRB-OFLPRAFFSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc(C)c1O ZINC000571682234 306571790 /nfs/dbraw/zinc/57/17/90/306571790.db2.gz UDBUYNQGOWHKDE-UHFFFAOYSA-N 2 0 333.476 1.899 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)CC1 ZINC000332366143 141169800 /nfs/dbraw/zinc/16/98/00/141169800.db2.gz YLHXTLDCARUAMU-YJBOKZPZSA-N 2 0 330.476 1.948 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3CCN(c4ccccn4)C3)C[C@@H]21 ZINC000333127113 141268440 /nfs/dbraw/zinc/26/84/40/141268440.db2.gz BEOLVRJAVDFTLN-LVQVYYBASA-N 2 0 329.448 1.429 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCN(c3nccn4cnnc34)[C@H](C)C2)CC[NH2+]1 ZINC000333140661 141270716 /nfs/dbraw/zinc/27/07/16/141270716.db2.gz KVXWHUZKVCHGTL-RBSFLKMASA-N 2 0 329.452 1.023 20 0 EDADRP Cc1nn2c(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)c(C)nc2s1 ZINC000333193733 141279081 /nfs/dbraw/zinc/27/90/81/141279081.db2.gz VSIIGMJRIGNVEM-UHFFFAOYSA-N 2 0 348.520 1.714 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000333281228 141292332 /nfs/dbraw/zinc/29/23/32/141292332.db2.gz MMHOXBJIFQGFQL-DZGCQCFKSA-N 2 0 331.526 1.557 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCC1 ZINC000333291921 141293832 /nfs/dbraw/zinc/29/38/32/141293832.db2.gz AOSQMUNYBQXREP-CVEARBPZSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333364230 141306000 /nfs/dbraw/zinc/30/60/00/141306000.db2.gz DKPVFLSSTKUWDW-CQSZACIVSA-N 2 0 331.464 1.524 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]1 ZINC000333408347 141313236 /nfs/dbraw/zinc/31/32/36/141313236.db2.gz QYKZZKXXAXYHOC-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333457667 141320165 /nfs/dbraw/zinc/32/01/65/141320165.db2.gz YNLDSLIALMMFNM-HZPDHXFCSA-N 2 0 338.496 1.543 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@@H]12 ZINC000333540803 141333771 /nfs/dbraw/zinc/33/37/71/141333771.db2.gz JFKABAICZAXOLX-CGTJXYLNSA-N 2 0 343.475 1.677 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000333639126 141349036 /nfs/dbraw/zinc/34/90/36/141349036.db2.gz UFZYVNNABMHGLU-SJORKVTESA-N 2 0 338.496 1.543 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000333643950 141349568 /nfs/dbraw/zinc/34/95/68/141349568.db2.gz XSYSJTNFUDMYSX-DZGCQCFKSA-N 2 0 334.468 1.005 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000340082248 142260212 /nfs/dbraw/zinc/26/02/12/142260212.db2.gz KQMJPRHFDWVFAY-JSGCOSHPSA-N 2 0 328.254 1.723 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000340353930 142356547 /nfs/dbraw/zinc/35/65/47/142356547.db2.gz YPEBNCSMYFIQAZ-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)CC2)CC1 ZINC000344720187 143002700 /nfs/dbraw/zinc/00/27/00/143002700.db2.gz HHVCOLLGMWTKIP-ACBHZAAOSA-N 2 0 348.535 1.536 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2COCCN2CC2CCC2)CC[N@@H+](C2CCC2)C1 ZINC000344742268 143005915 /nfs/dbraw/zinc/00/59/15/143005915.db2.gz PBTRCAMLMUPNBO-LPHOPBHVSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000345154056 143058363 /nfs/dbraw/zinc/05/83/63/143058363.db2.gz HMEAZWOZTHUJLQ-QGZVFWFLSA-N 2 0 328.464 1.469 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3C[C@H](C)[C@H](C(N)=O)C3)c2cc1C ZINC000346585793 143219165 /nfs/dbraw/zinc/21/91/65/143219165.db2.gz MDSWRAYPNYQEHH-RRFJBIMHSA-N 2 0 330.432 1.067 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000346902837 143258645 /nfs/dbraw/zinc/25/86/45/143258645.db2.gz MAKGDRGWMUZLDE-CALCHBBNSA-N 2 0 340.512 1.613 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000346996146 143269496 /nfs/dbraw/zinc/26/94/96/143269496.db2.gz VTPSAAJKDPYWNZ-SJORKVTESA-N 2 0 338.540 1.782 20 0 EDADRP O=C(C[NH2+][C@H]1CCC[C@H]1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000348459626 143434146 /nfs/dbraw/zinc/43/41/46/143434146.db2.gz SIZMERGPVDBIQM-UONOGXRCSA-N 2 0 331.407 1.479 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(Br)c2)CC1 ZINC000573084425 306611014 /nfs/dbraw/zinc/61/10/14/306611014.db2.gz VCUXRWKDDZMMRT-HNNXBMFYSA-N 2 0 342.281 1.147 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH3+])C2)[C@H](C)C1 ZINC000417666492 286060591 /nfs/dbraw/zinc/06/05/91/286060591.db2.gz CXSHVESZJKBTPR-PMPSAXMXSA-N 2 0 326.485 1.256 20 0 EDADRP Cc1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)c(-c2ccnn2C)c1 ZINC000352693532 149120008 /nfs/dbraw/zinc/12/00/08/149120008.db2.gz SECUKTDISWLFAB-GOSISDBHSA-N 2 0 339.487 1.875 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000573442702 306621368 /nfs/dbraw/zinc/62/13/68/306621368.db2.gz OPXISHLFBWWTMC-IBGZPJMESA-N 2 0 338.455 1.859 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000369917771 155232345 /nfs/dbraw/zinc/23/23/45/155232345.db2.gz FLIYVKKLBBLXPW-JTDSTZFVSA-N 2 0 337.508 1.757 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000353717913 149502133 /nfs/dbraw/zinc/50/21/33/149502133.db2.gz ZLJLHCBVBNDLOA-RBUKOAKNSA-N 2 0 347.503 1.847 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000573562853 306624312 /nfs/dbraw/zinc/62/43/12/306624312.db2.gz JFIBCKMKRUCREZ-SQNIBIBYSA-N 2 0 331.460 1.821 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930178 155241191 /nfs/dbraw/zinc/24/11/91/155241191.db2.gz XBXGJPNFGLOULT-IRXDYDNUSA-N 2 0 335.492 1.717 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)N(CC[NH3+])CCO)cc2)CC1 ZINC000416968802 304356918 /nfs/dbraw/zinc/35/69/18/304356918.db2.gz AQENVLIPXBOPRX-UHFFFAOYSA-N 2 0 348.491 1.381 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000416970832 304357442 /nfs/dbraw/zinc/35/74/42/304357442.db2.gz OISLTMTYBHWYNR-IIDMSEBBSA-N 2 0 346.475 1.538 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000355290124 150201240 /nfs/dbraw/zinc/20/12/40/150201240.db2.gz FMBMPAPIUGHVKG-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@H]2C1 ZINC000355360986 150233636 /nfs/dbraw/zinc/23/36/36/150233636.db2.gz HJKKCTSQYYUDJI-ZWKOTPCHSA-N 2 0 331.460 1.683 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@]1(C)CCOC1 ZINC000355465315 150280699 /nfs/dbraw/zinc/28/06/99/150280699.db2.gz WLUXAEIORGRIIZ-KRWDZBQOSA-N 2 0 326.485 1.080 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000355658474 150352724 /nfs/dbraw/zinc/35/27/24/150352724.db2.gz KVBVMAPLBMNVCK-HUUCEWRRSA-N 2 0 348.491 1.865 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC1CCSCC1 ZINC000355730259 150377908 /nfs/dbraw/zinc/37/79/08/150377908.db2.gz SJEFQFIIXLWKSY-UHFFFAOYSA-N 2 0 342.553 1.797 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC[C@@H]1CC[NH2+]C1 ZINC000417039032 304364751 /nfs/dbraw/zinc/36/47/51/304364751.db2.gz URSGDKPJRHCKDX-INIZCTEOSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000357540888 151061950 /nfs/dbraw/zinc/06/19/50/151061950.db2.gz IEZNATHZHQNRNL-CZUORRHYSA-N 2 0 325.478 1.319 20 0 EDADRP CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000357553897 151066021 /nfs/dbraw/zinc/06/60/21/151066021.db2.gz PTJZFZSTWGCAOE-BRWVUGGUSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000357580166 151073705 /nfs/dbraw/zinc/07/37/05/151073705.db2.gz TZJGSTBPWROJSX-IEBWSBKVSA-N 2 0 347.503 1.716 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000358046612 151246855 /nfs/dbraw/zinc/24/68/55/151246855.db2.gz ZSMQZAIHLLCVNF-CRAIPNDOSA-N 2 0 332.492 1.408 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358066503 151255766 /nfs/dbraw/zinc/25/57/66/151255766.db2.gz NZDLXBFGKXNEIQ-SFHVURJKSA-N 2 0 331.416 1.291 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358433788 151374003 /nfs/dbraw/zinc/37/40/03/151374003.db2.gz IINSHJBDISEBTB-HZPDHXFCSA-N 2 0 342.528 1.593 20 0 EDADRP [NH3+]C[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccc(F)cc1 ZINC000358859080 151522392 /nfs/dbraw/zinc/52/23/92/151522392.db2.gz SKOGLMFJAVRNKN-QGZVFWFLSA-N 2 0 349.450 1.629 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360386869 152016071 /nfs/dbraw/zinc/01/60/71/152016071.db2.gz ZUBGNFXMUNQAJD-INIZCTEOSA-N 2 0 328.526 1.596 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360400357 152021468 /nfs/dbraw/zinc/02/14/68/152021468.db2.gz ZGSJGZFOJASREG-GDBMZVCRSA-N 2 0 328.526 1.455 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742718 152180317 /nfs/dbraw/zinc/18/03/17/152180317.db2.gz AIXOKIGNPYLCBL-GOEBONIOSA-N 2 0 328.526 1.549 20 0 EDADRP CN1CCO[C@@H](C(=O)NC2CC[NH+](Cc3ccccc3F)CC2)C1 ZINC000360891472 152242434 /nfs/dbraw/zinc/24/24/34/152242434.db2.gz ZRGYINGURFCLBP-QGZVFWFLSA-N 2 0 335.423 1.237 20 0 EDADRP Cc1cccc(CNC(=O)CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000360973026 152267709 /nfs/dbraw/zinc/26/77/09/152267709.db2.gz RGQUAYQGTGPNDB-LJQANCHMSA-N 2 0 344.503 1.323 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000361024445 152282320 /nfs/dbraw/zinc/28/23/20/152282320.db2.gz YKMSMJKPXXNNSV-UAGQMJEPSA-N 2 0 335.496 1.628 20 0 EDADRP CC(C)(CNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000361384579 152379042 /nfs/dbraw/zinc/37/90/42/152379042.db2.gz FRVDEJATWVRMHL-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP CC(=O)NC1CCC([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000361436220 152395086 /nfs/dbraw/zinc/39/50/86/152395086.db2.gz SBHKVEAEBRYGSI-JCYILVPMSA-N 2 0 340.512 1.116 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363180933 152917459 /nfs/dbraw/zinc/91/74/59/152917459.db2.gz OHSJZZWSGOROME-OKZBNKHCSA-N 2 0 334.508 1.988 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)[C@@H](C)C1 ZINC000363731179 153041223 /nfs/dbraw/zinc/04/12/23/153041223.db2.gz CYVSEIOSIATXCX-HOTGVXAUSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](Cc3ccncc3)C2)CC1 ZINC000364026966 153126363 /nfs/dbraw/zinc/12/63/63/153126363.db2.gz BOYGMDGYPMAMPZ-GOSISDBHSA-N 2 0 344.503 1.935 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000364210050 153174357 /nfs/dbraw/zinc/17/43/57/153174357.db2.gz CTBUNRDNSIGIEQ-CVEARBPZSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1CCCC1CCOCC1 ZINC000364244657 153184915 /nfs/dbraw/zinc/18/49/15/153184915.db2.gz ZELDLYLYVYVOCE-MJGOQNOKSA-N 2 0 339.524 1.530 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C[NH+](C)C(C)C)[C@@H]1c1cnn(C)c1 ZINC000364675019 153300345 /nfs/dbraw/zinc/30/03/45/153300345.db2.gz RJYBPQQFOPRXFI-QFBILLFUSA-N 2 0 349.523 1.992 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417197193 304383462 /nfs/dbraw/zinc/38/34/62/304383462.db2.gz PYKWDXKRGOIAOP-FGTMMUONSA-N 2 0 348.491 1.307 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NCC2CC[NH+](C3CC3)CC2)CCCSC1 ZINC000364759908 153325466 /nfs/dbraw/zinc/32/54/66/153325466.db2.gz OIOFOJHKMUOBNV-KRWDZBQOSA-N 2 0 325.522 1.804 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000417200132 304383877 /nfs/dbraw/zinc/38/38/77/304383877.db2.gz STXXOILJFBIEHM-BZSNNMDCSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H]1C ZINC000364923602 153370698 /nfs/dbraw/zinc/37/06/98/153370698.db2.gz YDOSXUDNHSOCAU-OWCLPIDISA-N 2 0 338.496 1.100 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000417232258 304386103 /nfs/dbraw/zinc/38/61/03/304386103.db2.gz PNUDJRFGUCCWGY-UHFFFAOYSA-N 2 0 330.476 1.904 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000368005793 154364541 /nfs/dbraw/zinc/36/45/41/154364541.db2.gz KGOIWBHCKXGZBE-CXAGYDPISA-N 2 0 345.443 1.922 20 0 EDADRP CN(C)[C@@]1(C(=O)N2CCN(C3CCC3)CC2)CCOc2ccccc21 ZINC000369598745 155103511 /nfs/dbraw/zinc/10/35/11/155103511.db2.gz CHGPYQHPJZEXHV-FQEVSTJZSA-N 2 0 343.471 1.923 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000574886876 306659078 /nfs/dbraw/zinc/65/90/78/306659078.db2.gz OZMGVBHNTZDXNL-UHFFFAOYSA-N 2 0 329.444 1.994 20 0 EDADRP CN1CC[NH+](CC2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC000574962398 306660775 /nfs/dbraw/zinc/66/07/75/306660775.db2.gz RIMHQQSEJVVLNA-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP Cn1cc([C@H]2[C@H](CNC(=O)C34CCC[NH+]3CCC4)CCC[N@@H+]2C)cn1 ZINC000377952037 158038119 /nfs/dbraw/zinc/03/81/19/158038119.db2.gz UAQWIZRSUGZZGL-DOTOQJQBSA-N 2 0 345.491 1.548 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378128027 158086757 /nfs/dbraw/zinc/08/67/57/158086757.db2.gz HRIGONLZFFJCSH-OAHLLOKOSA-N 2 0 328.464 1.369 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)c1ccccc1 ZINC000378158681 158096053 /nfs/dbraw/zinc/09/60/53/158096053.db2.gz AWMRTINTZXUSGY-QRQLOZEOSA-N 2 0 345.487 1.895 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000378164963 158098114 /nfs/dbraw/zinc/09/81/14/158098114.db2.gz CGDGMFBQCMHNLV-MRXNPFEDSA-N 2 0 330.476 1.827 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378204437 158108728 /nfs/dbraw/zinc/10/87/28/158108728.db2.gz WAFYNPOXDAQRKK-SFHVURJKSA-N 2 0 338.540 1.961 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000378222475 158114025 /nfs/dbraw/zinc/11/40/25/158114025.db2.gz NDLRJUQMFWKBEN-HXUWFJFHSA-N 2 0 345.487 1.649 20 0 EDADRP Cc1ncc2n1CC[C@@H](C(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C2 ZINC000352149636 162015013 /nfs/dbraw/zinc/01/50/13/162015013.db2.gz UKBBHXJHLJUKFC-IJEWVQPXSA-N 2 0 334.464 1.369 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000352208393 162050771 /nfs/dbraw/zinc/05/07/71/162050771.db2.gz NDQKZXHWDFLWNI-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP CCc1oc(C(=O)OC)cc1CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000364228740 162321245 /nfs/dbraw/zinc/32/12/45/162321245.db2.gz FFALTTNKGCAKKR-INIZCTEOSA-N 2 0 349.475 1.840 20 0 EDADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000343037444 292488189 /nfs/dbraw/zinc/48/81/89/292488189.db2.gz GYQMYGREQBXVNT-QGZVFWFLSA-N 2 0 343.512 1.158 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418036210 304449747 /nfs/dbraw/zinc/44/97/47/304449747.db2.gz PYLAGBHIASGIAH-MFKMUULPSA-N 2 0 332.370 1.955 20 0 EDADRP Cc1cccc(OCCNC(=O)CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158662815 225062040 /nfs/dbraw/zinc/06/20/40/225062040.db2.gz ROPGZPFXMBGKTD-MJGOQNOKSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)CCC[NH2+]1 ZINC000121232101 287369446 /nfs/dbraw/zinc/36/94/46/287369446.db2.gz DFXSLBCNNHGDEH-IBGZPJMESA-N 2 0 344.459 1.465 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418363265 304486315 /nfs/dbraw/zinc/48/63/15/304486315.db2.gz IAQJRGJVYLJUAY-CQSZACIVSA-N 2 0 340.418 1.790 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418372185 304487510 /nfs/dbraw/zinc/48/75/10/304487510.db2.gz QPHBSJRUASAERK-ZENOOKHLSA-N 2 0 338.402 1.462 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000418505614 304505356 /nfs/dbraw/zinc/50/53/56/304505356.db2.gz FSQWDVLCAFQJAR-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](C)[NH+](C)C)c2)CC1 ZINC000274831528 268218129 /nfs/dbraw/zinc/21/81/29/268218129.db2.gz RHGXZOGLEIJHJV-HNNXBMFYSA-N 2 0 333.480 1.900 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000275554979 268359876 /nfs/dbraw/zinc/35/98/76/268359876.db2.gz AKMCOFVIYAKZBB-GOSISDBHSA-N 2 0 346.475 1.282 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278978807 268761158 /nfs/dbraw/zinc/76/11/58/268761158.db2.gz JUCMZQNNJIQGSE-HZPDHXFCSA-N 2 0 339.443 1.491 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655913417 452672645 /nfs/dbraw/zinc/67/26/45/452672645.db2.gz UHFHSGRWMXSMPW-ZDUSSCGKSA-N 2 0 332.370 1.649 20 0 EDADRP C[NH+](C)C[C@H]1CN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000284055889 274063595 /nfs/dbraw/zinc/06/35/95/274063595.db2.gz JVHDGQHSQNZTFI-PMACEKPBSA-N 2 0 347.503 1.540 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@]2(CCOC)CC[NH2+]C2)c1 ZINC000372103818 276075983 /nfs/dbraw/zinc/07/59/83/276075983.db2.gz WRGFVTMRKFDMLO-IBGZPJMESA-N 2 0 333.476 1.771 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000348303530 276109302 /nfs/dbraw/zinc/10/93/02/276109302.db2.gz PPMWLIWTWKISSY-QZTJIDSGSA-N 2 0 338.540 1.641 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@@H]3CCCC[C@H]32)CC1 ZINC000362483593 276150220 /nfs/dbraw/zinc/15/02/20/276150220.db2.gz IXOSETJQHYLDFS-HZPDHXFCSA-N 2 0 325.522 1.947 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331360518 276150255 /nfs/dbraw/zinc/15/02/55/276150255.db2.gz XXCBWIKJJVEMBF-HZPDHXFCSA-N 2 0 325.497 1.316 20 0 EDADRP CC1CC[NH+](CCN2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)CC1 ZINC000368396293 276197250 /nfs/dbraw/zinc/19/72/50/276197250.db2.gz BEUWBVRNPZUYOP-MOPGFXCFSA-N 2 0 338.540 1.055 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H](C)C(=O)N3CCCCCC3)C2)CC1 ZINC000107370101 276201438 /nfs/dbraw/zinc/20/14/38/276201438.db2.gz KEMXZOKQJXBVSP-ROUUACIJSA-N 2 0 336.524 1.489 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262659836 276384108 /nfs/dbraw/zinc/38/41/08/276384108.db2.gz WUGCAMBCVNHNSF-KURKYZTESA-N 2 0 336.524 1.441 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@H](C)CC(N)=O)CC1 ZINC000267251693 276388045 /nfs/dbraw/zinc/38/80/45/276388045.db2.gz OKCQQVSYMQHALC-ZIAGYGMSSA-N 2 0 336.455 1.882 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCCc3c2cnn3-c2ncccn2)CC1 ZINC000368137859 277026723 /nfs/dbraw/zinc/02/67/23/277026723.db2.gz DDFKEFICVKCLFV-INIZCTEOSA-N 2 0 326.448 1.971 20 0 EDADRP CC(C)(CNC(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417088682 277300576 /nfs/dbraw/zinc/30/05/76/277300576.db2.gz LLVUSVXVUWFNGQ-QGZVFWFLSA-N 2 0 346.475 1.192 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341882622 277391854 /nfs/dbraw/zinc/39/18/54/277391854.db2.gz JGRAGHUZRXPPLS-SJORKVTESA-N 2 0 325.497 1.439 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365309938 277758602 /nfs/dbraw/zinc/75/86/02/277758602.db2.gz LUCANYVGDXLXLJ-DLBZAZTESA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000236721142 277890234 /nfs/dbraw/zinc/89/02/34/277890234.db2.gz WHDXKAATMHWLJJ-HOTGVXAUSA-N 2 0 327.538 1.954 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000186575905 278231752 /nfs/dbraw/zinc/23/17/52/278231752.db2.gz KSXNLHVBKBASGU-HNNXBMFYSA-N 2 0 337.537 1.728 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418745006 278315108 /nfs/dbraw/zinc/31/51/08/278315108.db2.gz GAHDKZGJHXHVIE-CYBMUJFWSA-N 2 0 332.439 1.747 20 0 EDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496382810 278348148 /nfs/dbraw/zinc/34/81/48/278348148.db2.gz VLDOHNRXQLKWSY-ZMSDIMECSA-N 2 0 335.448 1.739 20 0 EDADRP CC[C@H]([NH2+]CCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCC[NH2+]1 ZINC000422779635 288039648 /nfs/dbraw/zinc/03/96/48/288039648.db2.gz GCZSTBKNIPDBMR-LSDHHAIUSA-N 2 0 336.480 1.751 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[N@H+](CCCOC)CC1 ZINC000369662025 279097419 /nfs/dbraw/zinc/09/74/19/279097419.db2.gz QNEBIUSEEPRZNB-UHFFFAOYSA-N 2 0 328.501 1.472 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CCN1CCOCC1 ZINC000344225574 279186095 /nfs/dbraw/zinc/18/60/95/279186095.db2.gz NNHNSPAGCPHRHE-HNNXBMFYSA-N 2 0 329.448 1.776 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(C)no1 ZINC000337582162 279302282 /nfs/dbraw/zinc/30/22/82/279302282.db2.gz ORRJNDCXUROLFQ-OAHLLOKOSA-N 2 0 337.468 1.185 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)C[NH+]1CCCC1 ZINC000369659517 279333413 /nfs/dbraw/zinc/33/34/13/279333413.db2.gz UNYAQKOLJBNMTJ-VSZNYVQBSA-N 2 0 334.508 1.844 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000422842142 279529216 /nfs/dbraw/zinc/52/92/16/279529216.db2.gz XSGRGVCLTZMFNB-XHSDSOJGSA-N 3 0 325.497 1.770 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C[C@H](O)C[N@H+](C)C2CC2)C[C@@H](C)O1 ZINC000351477577 288192625 /nfs/dbraw/zinc/19/26/25/288192625.db2.gz NTMSMGRDBHDUIQ-XYVMCAHJSA-N 2 0 325.497 1.015 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000372399560 292660644 /nfs/dbraw/zinc/66/06/44/292660644.db2.gz OJMSIUNMDGSVPS-QUCCMNQESA-N 2 0 345.487 1.956 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H](C[NH3+])OC ZINC000290031846 288825187 /nfs/dbraw/zinc/82/51/87/288825187.db2.gz RWNMLGGVOJDIIB-OAHLLOKOSA-N 2 0 333.436 1.290 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000290056450 288830666 /nfs/dbraw/zinc/83/06/66/288830666.db2.gz VLKUSTWMXONXNI-KRWDZBQOSA-N 2 0 347.459 1.569 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000377200926 289204729 /nfs/dbraw/zinc/20/47/29/289204729.db2.gz CFTUWAHCINWLIT-AEFFLSMTSA-N 2 0 340.512 1.395 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000248040612 289221411 /nfs/dbraw/zinc/22/14/11/289221411.db2.gz LXUPWAQYZRADNY-XYJFISCASA-N 2 0 334.464 1.044 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc4c(c3)OCO4)C2)C1 ZINC000292108727 289262794 /nfs/dbraw/zinc/26/27/94/289262794.db2.gz IVFMBEHCLQLJGG-SFHVURJKSA-N 2 0 331.416 1.772 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000375053664 295224560 /nfs/dbraw/zinc/22/45/60/295224560.db2.gz HORCLMYXYVNINI-KSZLIROESA-N 2 0 343.471 1.647 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCC[NH2+]1 ZINC000418636553 304522753 /nfs/dbraw/zinc/52/27/53/304522753.db2.gz MGPYZWAVXIEECM-FUHWJXTLSA-N 2 0 334.464 1.534 20 0 EDADRP C[C@@]1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000333833940 297895260 /nfs/dbraw/zinc/89/52/60/297895260.db2.gz MZXFWDNVSWEWAS-FUHWJXTLSA-N 2 0 338.496 1.130 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000333829550 298028011 /nfs/dbraw/zinc/02/80/11/298028011.db2.gz JECJQFQTHCHASS-FVQBIDKESA-N 2 0 336.480 1.613 20 0 EDADRP C[C@H](C(=O)N1CCCc2ccccc21)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351848 298045992 /nfs/dbraw/zinc/04/59/92/298045992.db2.gz XVPZFCJYPPWOTM-AEFFLSMTSA-N 2 0 342.487 1.334 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419291747 304587383 /nfs/dbraw/zinc/58/73/83/304587383.db2.gz XCEQLWSYNHGRNX-OAHLLOKOSA-N 2 0 346.475 1.142 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419433967 304613571 /nfs/dbraw/zinc/61/35/71/304613571.db2.gz ZVBDVFKAUMKIMN-GOEBONIOSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000377028071 300498067 /nfs/dbraw/zinc/49/80/67/300498067.db2.gz BPVKGFAEJPDEJR-OALUTQOASA-N 3 0 339.572 1.665 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000420114326 304740360 /nfs/dbraw/zinc/74/03/60/304740360.db2.gz DLCPLFIDXAWFLR-JKSUJKDBSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1C[NH3+] ZINC000420298324 304745557 /nfs/dbraw/zinc/74/55/57/304745557.db2.gz ZWMDDUDHDHFZTC-NXHRZFHOSA-N 2 0 332.492 1.465 20 0 EDADRP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420379873 304753738 /nfs/dbraw/zinc/75/37/38/304753738.db2.gz WACWQDQIZGBAFQ-LSDHHAIUSA-N 2 0 339.505 1.977 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372855776 447318462 /nfs/dbraw/zinc/31/84/62/447318462.db2.gz ILJSAISYENPRGJ-SFHVURJKSA-N 2 0 348.466 1.106 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@@H]4[NH2+]CC[C@@H]4C3)ccc21 ZINC000294978349 303158954 /nfs/dbraw/zinc/15/89/54/303158954.db2.gz JOZHLPYXHCWHOJ-SJORKVTESA-N 2 0 326.444 1.814 20 0 EDADRP COC[C@]1(C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000296875103 303343961 /nfs/dbraw/zinc/34/39/61/303343961.db2.gz UUCJWDSUOUMGOE-PKOBYXMFSA-N 2 0 333.476 1.764 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])C(C)C ZINC000419661529 447329553 /nfs/dbraw/zinc/32/95/53/447329553.db2.gz FOWHMEUPUOXLJC-JKSUJKDBSA-N 2 0 340.512 1.340 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000304005134 303747483 /nfs/dbraw/zinc/74/74/83/303747483.db2.gz SKWKLLVLRDZULS-KRWDZBQOSA-N 2 0 340.512 1.110 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000411631562 303901724 /nfs/dbraw/zinc/90/17/24/303901724.db2.gz MSKPHNUIVACILF-CGTJXYLNSA-N 2 0 335.492 1.524 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458386817 447339847 /nfs/dbraw/zinc/33/98/47/447339847.db2.gz WVYPKBAMMIGVBV-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@H+](C)C1CC1 ZINC000414882154 447342079 /nfs/dbraw/zinc/34/20/79/447342079.db2.gz RRTYPHJATPIAQN-NSHDSACASA-N 2 0 348.422 1.009 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CCN2CCOCC2)CC[NH2+]CC1 ZINC000422915838 304880033 /nfs/dbraw/zinc/88/00/33/304880033.db2.gz ZFOQPJKCKKDNET-HZPDHXFCSA-N 2 0 341.496 1.008 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000422938190 304880598 /nfs/dbraw/zinc/88/05/98/304880598.db2.gz GVRUISFUJFZUSK-GUTXKFCHSA-N 2 0 325.478 1.586 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1cccs1)N1CCO[C@H](C)C1 ZINC000422984356 304881998 /nfs/dbraw/zinc/88/19/98/304881998.db2.gz ALEFSHYWJMAXIX-PMPSAXMXSA-N 2 0 341.521 1.853 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021416 304883346 /nfs/dbraw/zinc/88/33/46/304883346.db2.gz CAHFKQZYYXVXEQ-KURKYZTESA-N 3 0 340.556 1.979 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC)[C@@H](O)C(F)(F)F)CC[NH2+]CC1 ZINC000423028224 304883498 /nfs/dbraw/zinc/88/34/98/304883498.db2.gz SIOXKSHIYVAMIZ-QJPTWQEYSA-N 2 0 340.386 1.599 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000423131327 304887961 /nfs/dbraw/zinc/88/79/61/304887961.db2.gz NSQRGBRSHSXANZ-CVEARBPZSA-N 2 0 340.512 1.009 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423191404 304889065 /nfs/dbraw/zinc/88/90/65/304889065.db2.gz STKPYQWWGJUWRC-IEBWSBKVSA-N 3 0 331.504 1.991 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)COC1CC[NH2+]CC1)Cc1ccccc1 ZINC000423335097 304893065 /nfs/dbraw/zinc/89/30/65/304893065.db2.gz UAUDVPUZBXMAEF-GOSISDBHSA-N 2 0 347.503 1.824 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000423634225 304902657 /nfs/dbraw/zinc/90/26/57/304902657.db2.gz QGIPAAJNSYCNDA-FZMZJTMJSA-N 2 0 344.381 1.272 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000423745241 304907557 /nfs/dbraw/zinc/90/75/57/304907557.db2.gz PGRBNDNZGXJTQT-BDXSIMOUSA-N 2 0 334.508 1.146 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H]([NH3+])[C@@H](C)C3)CC2)c1 ZINC000423957699 304921164 /nfs/dbraw/zinc/92/11/64/304921164.db2.gz DLKPUJUUOSHGPC-WMZOPIPTSA-N 2 0 330.476 1.313 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430609651 305058620 /nfs/dbraw/zinc/05/86/20/305058620.db2.gz IBVZWQSSHJUWQB-UHFFFAOYSA-N 2 0 334.439 1.145 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)N2CCC(OCc3ccccc3)CC2)CC1 ZINC000430607206 305058656 /nfs/dbraw/zinc/05/86/56/305058656.db2.gz XRRRPZOADGXEHP-UHFFFAOYSA-N 2 0 345.487 1.865 20 0 EDADRP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000430633091 305060440 /nfs/dbraw/zinc/06/04/40/305060440.db2.gz BIIBJPUTPIFQCQ-JKSUJKDBSA-N 2 0 346.475 1.215 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCCc2nc3ccccc3s2)CC1 ZINC000430636200 305060670 /nfs/dbraw/zinc/06/06/70/305060670.db2.gz IRPHJAYWYFXHQO-UHFFFAOYSA-N 2 0 332.473 1.626 20 0 EDADRP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430639686 305060817 /nfs/dbraw/zinc/06/08/17/305060817.db2.gz IOELBDIZUOOFTJ-UKRRQHHQSA-N 2 0 343.431 1.585 20 0 EDADRP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[NH+]1CCC(C[NH3+])CC1 ZINC000430643056 305061079 /nfs/dbraw/zinc/06/10/79/305061079.db2.gz LGJUGNSRENUKOX-AWEZNQCLSA-N 2 0 347.459 1.176 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(N2CCCC2=O)cc1)C1CC[NH2+]CC1 ZINC000430662381 305061838 /nfs/dbraw/zinc/06/18/38/305061838.db2.gz HYOXAYCFQUWGEF-UHFFFAOYSA-N 2 0 344.459 1.826 20 0 EDADRP COCC[C@@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430680320 305062205 /nfs/dbraw/zinc/06/22/05/305062205.db2.gz ONUNEFSRLUPRFU-ICSRJNTNSA-N 2 0 345.487 1.783 20 0 EDADRP CC(C)(C)[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)COC1C[NH2+]C1 ZINC000430759233 305064258 /nfs/dbraw/zinc/06/42/58/305064258.db2.gz FPNRKARXIFHDMX-SFHVURJKSA-N 2 0 345.487 1.564 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430867085 305066454 /nfs/dbraw/zinc/06/64/54/305066454.db2.gz IYFILYBIWZUNDL-KRWDZBQOSA-N 2 0 346.475 1.348 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000430941528 305069654 /nfs/dbraw/zinc/06/96/54/305069654.db2.gz WXJGMAICKUODQO-SJORKVTESA-N 2 0 344.503 1.783 20 0 EDADRP COCCOc1cccc(CNC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430949031 305070215 /nfs/dbraw/zinc/07/02/15/305070215.db2.gz AWLOONNCLYWFHM-OAHLLOKOSA-N 2 0 349.475 1.387 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCN2CCc3ccccc32)CC1 ZINC000433158651 305101994 /nfs/dbraw/zinc/10/19/94/305101994.db2.gz KIVOGAXVPXWQTH-UHFFFAOYSA-N 2 0 344.503 1.759 20 0 EDADRP COC[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000433157774 305102003 /nfs/dbraw/zinc/10/20/03/305102003.db2.gz HGOZKXYISRGNQX-KRWDZBQOSA-N 2 0 337.439 1.833 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380104 305106961 /nfs/dbraw/zinc/10/69/61/305106961.db2.gz YXDUJMPBMOCLEC-INIZCTEOSA-N 2 0 346.479 1.339 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433387265 305107499 /nfs/dbraw/zinc/10/74/99/305107499.db2.gz GESXUYFQVBHBCB-CABCVRRESA-N 2 0 334.468 1.053 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)ccn1 ZINC000434446981 305122760 /nfs/dbraw/zinc/12/27/60/305122760.db2.gz SFNQHYQVHXKHEM-QGZVFWFLSA-N 2 0 346.475 1.769 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000434670621 305126917 /nfs/dbraw/zinc/12/69/17/305126917.db2.gz DAVGENBAWMFMOE-ZWKOTPCHSA-N 2 0 344.503 1.798 20 0 EDADRP CCC[N@H+](C)CC(=O)N(Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435572403 305142839 /nfs/dbraw/zinc/14/28/39/305142839.db2.gz FIVOVOOGZIIRAT-MRXNPFEDSA-N 2 0 347.507 1.716 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440164309 305204020 /nfs/dbraw/zinc/20/40/20/305204020.db2.gz OIARBCHUSDHLAY-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441020912 305216695 /nfs/dbraw/zinc/21/66/95/305216695.db2.gz PCQAZAIZRQJYFP-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066459 305234342 /nfs/dbraw/zinc/23/43/42/305234342.db2.gz FEHREAXWWYDJAY-KRWDZBQOSA-N 2 0 333.476 1.859 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](C[N@H+](C)CC)C1 ZINC000414901090 447349235 /nfs/dbraw/zinc/34/92/35/447349235.db2.gz IAWMXTYZFAJVLT-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449527438 305312952 /nfs/dbraw/zinc/31/29/52/305312952.db2.gz IIAKVSJOBDLEGN-TZIWHRDSSA-N 2 0 335.451 1.921 20 0 EDADRP O=C(C[N@@H+]1CCC[C@]2(CCSC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000451970136 305375173 /nfs/dbraw/zinc/37/51/73/305375173.db2.gz XURLAUONEZGIKU-SFHVURJKSA-N 2 0 337.533 1.949 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000491906695 305581329 /nfs/dbraw/zinc/58/13/29/305581329.db2.gz QDADDVRRXKEZGC-VOCYLRNQSA-N 2 0 330.476 1.209 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000495081629 305635354 /nfs/dbraw/zinc/63/53/54/305635354.db2.gz HNROWLRRKIATMH-QGZVFWFLSA-N 2 0 333.476 1.816 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[C@@H]1[NH3+] ZINC000514722024 305703256 /nfs/dbraw/zinc/70/32/56/305703256.db2.gz MRRXGRLMOALEKA-OFVDZJKFSA-N 2 0 348.413 1.780 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000414944100 447367406 /nfs/dbraw/zinc/36/74/06/447367406.db2.gz NJLUIYDJYDHATP-BBRMVZONSA-N 2 0 332.448 1.189 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000553146170 306182913 /nfs/dbraw/zinc/18/29/13/306182913.db2.gz COUPWSIJRHFMLD-UHFFFAOYSA-N 3 0 326.529 1.450 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000554509711 306193899 /nfs/dbraw/zinc/19/38/99/306193899.db2.gz HGEYKDXRNICKFA-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP C[N@H+](CCCC[NH2+]Cc1ccc(S(N)(=O)=O)c(Cl)c1)C1CC1 ZINC000419724765 447374698 /nfs/dbraw/zinc/37/46/98/447374698.db2.gz FLUSRMVAMWGEIE-UHFFFAOYSA-N 2 0 345.896 1.951 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414980959 447383642 /nfs/dbraw/zinc/38/36/42/447383642.db2.gz XLYJWPXGAMKOCO-AWEZNQCLSA-N 2 0 333.402 1.698 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000458544919 447407100 /nfs/dbraw/zinc/40/71/00/447407100.db2.gz VPOHHNLEGRLMOU-SJORKVTESA-N 2 0 340.512 1.110 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458544914 447407153 /nfs/dbraw/zinc/40/71/53/447407153.db2.gz VPOHHNLEGRLMOU-DLBZAZTESA-N 2 0 340.512 1.110 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419826033 447435141 /nfs/dbraw/zinc/43/51/41/447435141.db2.gz RZQPKMFRTGJBFA-UHFFFAOYSA-N 2 0 326.485 1.001 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1n[nH]c2c1CCCC2 ZINC000101518513 441155796 /nfs/dbraw/zinc/15/57/96/441155796.db2.gz RNOKAKCVQIYYFB-OAHLLOKOSA-N 2 0 347.507 1.777 20 0 EDADRP CC(C)[NH+](CC(N)=O)Cc1ccc(C[N@@H+](CC(N)=O)C(C)C)cc1 ZINC000014927065 441191262 /nfs/dbraw/zinc/19/12/62/441191262.db2.gz VCJCGXKBCOPCBF-UHFFFAOYSA-N 2 0 334.464 1.078 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc2)CC1 ZINC000081397183 441263800 /nfs/dbraw/zinc/26/38/00/441263800.db2.gz FKOVCTYSHAKOQR-INIZCTEOSA-N 2 0 332.492 1.899 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)C2)CC1 ZINC000106799707 441372531 /nfs/dbraw/zinc/37/25/31/441372531.db2.gz UDCTXPZSEGEVOZ-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)NC)cc3)C2)CC1 ZINC000109025734 441485609 /nfs/dbraw/zinc/48/56/09/441485609.db2.gz TVSCLJWSVHSHCN-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]C[C@H](C)N2CC[NH+](C)CC2)CC1 ZINC000089151758 441526908 /nfs/dbraw/zinc/52/69/08/441526908.db2.gz YXPLVRINEMBKOG-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000112216150 441546462 /nfs/dbraw/zinc/54/64/62/441546462.db2.gz DFUNXEREZNJGCW-IAGOWNOFSA-N 2 0 338.496 1.082 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](CCCN3CCOCC3)CC2)CC1 ZINC000075740511 441553559 /nfs/dbraw/zinc/55/35/59/441553559.db2.gz VBWOVOAEGHMGCA-UHFFFAOYSA-N 2 0 338.540 1.201 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090121589 441621921 /nfs/dbraw/zinc/62/19/21/441621921.db2.gz NDWWKJQZEAQCSF-RBUKOAKNSA-N 2 0 344.503 1.694 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000076602146 441665224 /nfs/dbraw/zinc/66/52/24/441665224.db2.gz QFEJIMCDNZGGDK-CQSZACIVSA-N 2 0 334.464 1.186 20 0 EDADRP C[C@@H]([NH2+][C@@H](CO)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000090885012 441645641 /nfs/dbraw/zinc/64/56/41/441645641.db2.gz HMYGAWUOXCDOSR-KDOFPFPSSA-N 2 0 332.448 1.745 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC(C)(C)O ZINC000114486724 441664138 /nfs/dbraw/zinc/66/41/38/441664138.db2.gz OTNMKKMLNPGRTR-UHFFFAOYSA-N 2 0 347.503 1.991 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000067782017 441678500 /nfs/dbraw/zinc/67/85/00/441678500.db2.gz ANFJIPDPTULABP-INIZCTEOSA-N 2 0 346.475 1.533 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000137076633 441744440 /nfs/dbraw/zinc/74/44/40/441744440.db2.gz IEDJNPWTPLNFOD-GOEBONIOSA-N 2 0 332.448 1.331 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(CO)c1 ZINC000121833285 441791014 /nfs/dbraw/zinc/79/10/14/441791014.db2.gz YQFTWSVQFAAUQN-KRWDZBQOSA-N 2 0 335.492 1.220 20 0 EDADRP CC(C)[C@H](CNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCOCC1 ZINC000173673083 441821642 /nfs/dbraw/zinc/82/16/42/441821642.db2.gz KRCRAZYOHPOFLN-ULQDDVLXSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077774471 441857552 /nfs/dbraw/zinc/85/75/52/441857552.db2.gz VOYMXQMWTOQTPK-IYBDPMFKSA-N 2 0 340.512 1.110 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NCC2(O)CC[NH+](C)CC2)c1 ZINC000077800623 441863212 /nfs/dbraw/zinc/86/32/12/441863212.db2.gz GDJNSYUFUASEFQ-UHFFFAOYSA-N 2 0 348.491 1.394 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cc(F)cc(F)c1 ZINC000077762075 441851407 /nfs/dbraw/zinc/85/14/07/441851407.db2.gz HXEHVLMWXVYAJT-UHFFFAOYSA-N 2 0 328.407 1.600 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000077774245 441857111 /nfs/dbraw/zinc/85/71/11/441857111.db2.gz BACGGJBNCJQGKB-IRXDYDNUSA-N 3 0 341.544 1.384 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[C@@H]1[NH3+] ZINC000415440352 447442759 /nfs/dbraw/zinc/44/27/59/447442759.db2.gz MMJBWBVRZTWMSR-DQYPLSBCSA-N 2 0 344.459 1.370 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000174181147 441899126 /nfs/dbraw/zinc/89/91/26/441899126.db2.gz MVCBRYZNIHJRCZ-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1cncc(F)c1 ZINC000494542846 447444897 /nfs/dbraw/zinc/44/48/97/447444897.db2.gz DTKAGRGNZSNWPA-SFHVURJKSA-N 2 0 344.434 1.599 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000151148182 442014464 /nfs/dbraw/zinc/01/44/64/442014464.db2.gz QUCJVWCOMCZQNO-SQNIBIBYSA-N 2 0 326.481 1.493 20 0 EDADRP COCc1ccc(CNC(=O)NCCN2CCC([NH+](C)C)CC2)cc1 ZINC000175600222 442092043 /nfs/dbraw/zinc/09/20/43/442092043.db2.gz NKQIIKBZRXIVFB-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN(C)CC(=O)NC2CC2)CC1 ZINC000120360309 442056291 /nfs/dbraw/zinc/05/62/91/442056291.db2.gz RCEOHQFFDPJHOE-UHFFFAOYSA-N 2 0 330.476 1.539 20 0 EDADRP COCCN1CCC[C@@H]1C[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000163451090 442166508 /nfs/dbraw/zinc/16/65/08/442166508.db2.gz YATZMDZKKRCCGI-MRXNPFEDSA-N 2 0 335.448 1.585 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000163569601 442174005 /nfs/dbraw/zinc/17/40/05/442174005.db2.gz KCVJAGBLVIADNM-APWZRJJASA-N 2 0 331.460 1.948 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000163601165 442175666 /nfs/dbraw/zinc/17/56/66/442175666.db2.gz NKUXRSJUUIFBRN-QZTJIDSGSA-N 2 0 333.476 1.737 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000127618913 442216181 /nfs/dbraw/zinc/21/61/81/442216181.db2.gz WJKVUGVRIVDPRJ-QGZVFWFLSA-N 2 0 326.529 1.103 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167699630 442222059 /nfs/dbraw/zinc/22/20/59/442222059.db2.gz NCNKAKWLWBHWKX-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000152552244 442224460 /nfs/dbraw/zinc/22/44/60/442224460.db2.gz VHPIBVNDZAGINP-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@H](C)C1 ZINC000128364122 442262024 /nfs/dbraw/zinc/26/20/24/442262024.db2.gz IKQDYXWZQLEZJP-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1COc2ccccc2C1 ZINC000153759595 442300557 /nfs/dbraw/zinc/30/05/57/442300557.db2.gz LAHWUMHZPGXYQC-INIZCTEOSA-N 2 0 334.464 1.125 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000154488133 442342450 /nfs/dbraw/zinc/34/24/50/442342450.db2.gz WLCVEUBBVSGHQP-UHFFFAOYSA-N 2 0 332.483 1.723 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000130287136 442343258 /nfs/dbraw/zinc/34/32/58/442343258.db2.gz IRGUCQIQICLBPA-YJBOKZPZSA-N 2 0 331.460 1.948 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([NH+](C)CCCO)CC1)C(C)C ZINC000154515352 442343588 /nfs/dbraw/zinc/34/35/88/442343588.db2.gz NHCLDFSSBZACSQ-UHFFFAOYSA-N 2 0 328.501 1.205 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC1 ZINC000171663039 442367632 /nfs/dbraw/zinc/36/76/32/442367632.db2.gz JKWWDYQDNSVLQT-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+]1CCC(Oc2ccc(NC(=O)C3CC[NH+](C)CC3)cn2)CC1 ZINC000154911775 442363786 /nfs/dbraw/zinc/36/37/86/442363786.db2.gz ZRALRFYEHRWFSN-UHFFFAOYSA-N 2 0 332.448 1.835 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@]1(C)CCCO1 ZINC000133428304 442417417 /nfs/dbraw/zinc/41/74/17/442417417.db2.gz JZSAGDYSKNMEJP-WMZOPIPTSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)C(C)(C)C ZINC000133566850 442424115 /nfs/dbraw/zinc/42/41/15/442424115.db2.gz IPHSJSNWSLYMDC-PMPSAXMXSA-N 2 0 325.497 1.628 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000178531226 442441931 /nfs/dbraw/zinc/44/19/31/442441931.db2.gz ISPYQNHNNLIKGR-QGZVFWFLSA-N 2 0 330.476 1.396 20 0 EDADRP COC(=O)C[C@H]1CCC[NH+]1CCC[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000179428722 442456595 /nfs/dbraw/zinc/45/65/95/442456595.db2.gz GGXDSVIJLNRCRF-HUUCEWRRSA-N 2 0 326.437 1.432 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000178873781 442510183 /nfs/dbraw/zinc/51/01/83/442510183.db2.gz OKHXZTHDVSSSGH-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873115 442510302 /nfs/dbraw/zinc/51/03/02/442510302.db2.gz YIDHGDCJAMVIRN-SFHVURJKSA-N 2 0 330.476 1.192 20 0 EDADRP CN(C)c1nccc(N2CCN(Cc3cnn(C(C)(C)C)c3)CC2)n1 ZINC000156564731 442495848 /nfs/dbraw/zinc/49/58/48/442495848.db2.gz ZZIPGBAWKOBIJT-UHFFFAOYSA-N 2 0 343.479 1.816 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)c1 ZINC000172623633 442508301 /nfs/dbraw/zinc/50/83/01/442508301.db2.gz GCQBICUBNLSTTK-UHFFFAOYSA-N 2 0 345.487 1.933 20 0 EDADRP CC(C)[NH+](CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)C(C)C ZINC000186103694 442463567 /nfs/dbraw/zinc/46/35/67/442463567.db2.gz WCDIBWZIHXASBR-QGZVFWFLSA-N 2 0 341.544 1.430 20 0 EDADRP COCCN(CC[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000179562522 442475800 /nfs/dbraw/zinc/47/58/00/442475800.db2.gz JUJQICRCPRVZNL-CABCVRRESA-N 2 0 329.485 1.942 20 0 EDADRP O=C(NCCN1CC[NH+](CC2CC[NH2+]CC2)CC1)c1ccccc1F ZINC000178980482 442543976 /nfs/dbraw/zinc/54/39/76/442543976.db2.gz YZJRTBXYAPRMMS-UHFFFAOYSA-N 2 0 348.466 1.173 20 0 EDADRP O=c1[nH]c(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)nc2ccccc21 ZINC000178978405 442544339 /nfs/dbraw/zinc/54/43/39/442544339.db2.gz CXKHMWZMMBEYSW-UHFFFAOYSA-N 2 0 341.459 1.040 20 0 EDADRP CC(C)[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCN(C)CC1 ZINC000157412520 442581382 /nfs/dbraw/zinc/58/13/82/442581382.db2.gz CCDIUBPFHRQTHS-KRWDZBQOSA-N 2 0 341.544 1.240 20 0 EDADRP C[N@H+](CCNC(=O)NCCCC[NH+]1CCOCC1)C1CCCCC1 ZINC000157422633 442582274 /nfs/dbraw/zinc/58/22/74/442582274.db2.gz ODNGFURCGAALOW-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000179190080 442593124 /nfs/dbraw/zinc/59/31/24/442593124.db2.gz MOTKIUVUORIFRJ-MSOLQXFVSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000192110862 442594874 /nfs/dbraw/zinc/59/48/74/442594874.db2.gz KWCFJYNNTVOXJN-DLBZAZTESA-N 2 0 332.492 1.246 20 0 EDADRP C[C@H](C[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000180463958 442606414 /nfs/dbraw/zinc/60/64/14/442606414.db2.gz FASKBYQFQGUOEO-DNVCBOLYSA-N 2 0 345.466 1.874 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@](C)([NH3+])c3ccccc3)CC2)CC1 ZINC000192525054 442657965 /nfs/dbraw/zinc/65/79/65/442657965.db2.gz PBXBVAMFCHAJCS-HXUWFJFHSA-N 2 0 344.503 1.535 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000158106877 442647325 /nfs/dbraw/zinc/64/73/25/442647325.db2.gz NAAONSNPXFFVOD-HOTGVXAUSA-N 2 0 326.481 1.349 20 0 EDADRP CC(C)Cn1ccnc1CNC(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000173189263 442621064 /nfs/dbraw/zinc/62/10/64/442621064.db2.gz BCSVRIUWAIFSSO-HUUCEWRRSA-N 2 0 337.468 1.448 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000188403769 442746733 /nfs/dbraw/zinc/74/67/33/442746733.db2.gz XMQDYZQRPGGTAC-INIZCTEOSA-N 2 0 328.501 1.518 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000193548135 442752608 /nfs/dbraw/zinc/75/26/08/442752608.db2.gz GABDTIWERJCHAB-PKOBYXMFSA-N 2 0 344.503 1.764 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000246513966 442787561 /nfs/dbraw/zinc/78/75/61/442787561.db2.gz UVZLCPBEAXMYPY-BBWFWOEESA-N 2 0 342.528 1.572 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@H](c2ccccc2)C1 ZINC000188796591 442815173 /nfs/dbraw/zinc/81/51/73/442815173.db2.gz OJZHNRGWGCAQIB-KSZLIROESA-N 2 0 348.466 1.181 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)C[C@@H]1C(C)C ZINC000247399627 442852205 /nfs/dbraw/zinc/85/22/05/442852205.db2.gz REKNQBPAEPPSJF-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000265688870 442880783 /nfs/dbraw/zinc/88/07/83/442880783.db2.gz YCUBJLYMYJGKIA-DHZHZOJOSA-N 2 0 344.503 1.823 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH2+][C@H](C)C1CCOCC1)C1CCOCC1 ZINC000179864227 318463267 /nfs/dbraw/zinc/46/32/67/318463267.db2.gz XAMVTBYIYVSDCV-HZPDHXFCSA-N 2 0 328.497 1.812 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000268258688 442921688 /nfs/dbraw/zinc/92/16/88/442921688.db2.gz IHPNQSRGKYQQBQ-RHSMWYFYSA-N 2 0 346.475 1.404 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000248890734 442934898 /nfs/dbraw/zinc/93/48/98/442934898.db2.gz WONMXJQWTBCNNX-BRWVUGGUSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)CCC[NH+](C)C)CC1 ZINC000186372440 318550124 /nfs/dbraw/zinc/55/01/24/318550124.db2.gz QTKUYRZDFBZYNV-UHFFFAOYSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)NCCC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000194950859 442970866 /nfs/dbraw/zinc/97/08/66/442970866.db2.gz MHAYHOLSNPQMOZ-IYBDPMFKSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)C1CCN(c2ccc(C)cn2)CC1 ZINC000183942961 442976729 /nfs/dbraw/zinc/97/67/29/442976729.db2.gz FBVOWJMWOLALTB-UHFFFAOYSA-N 2 0 334.464 1.037 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000195130128 442987436 /nfs/dbraw/zinc/98/74/36/442987436.db2.gz DOYCMSHHQDKMPM-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000251547295 443015376 /nfs/dbraw/zinc/01/53/76/443015376.db2.gz GZPJYAYSPAVXMV-IKGGRYGDSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000266137645 443031749 /nfs/dbraw/zinc/03/17/49/443031749.db2.gz PVXQYEOZSNLDMB-IAGOWNOFSA-N 2 0 332.492 1.259 20 0 EDADRP C[C@H](c1cnccn1)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000184566124 443041109 /nfs/dbraw/zinc/04/11/09/443041109.db2.gz KNGKWTKGZXQIMO-OAHLLOKOSA-N 2 0 347.507 1.954 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000219309459 443059365 /nfs/dbraw/zinc/05/93/65/443059365.db2.gz YDNHVQAABVFNPX-UHFFFAOYSA-N 2 0 329.485 1.990 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000298670517 318840150 /nfs/dbraw/zinc/84/01/50/318840150.db2.gz RJLDLCOLHVAYBT-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000237340013 443169894 /nfs/dbraw/zinc/16/98/94/443169894.db2.gz IIBKNDXIWZUSIH-MRXNPFEDSA-N 2 0 332.492 1.802 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000237194935 443163064 /nfs/dbraw/zinc/16/30/64/443163064.db2.gz FAAQMKLFATYOES-HNNXBMFYSA-N 2 0 339.505 1.873 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000245390087 443221542 /nfs/dbraw/zinc/22/15/42/443221542.db2.gz KRQJCIGPNHGGLZ-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(CN3CCC[C@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226760 443240504 /nfs/dbraw/zinc/24/05/04/443240504.db2.gz AKFCCYKINJSXRR-MAUKXSAKSA-N 2 0 330.432 1.074 20 0 EDADRP C[C@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1CCC[C@H](C)C1 ZINC000262671063 443207175 /nfs/dbraw/zinc/20/71/75/443207175.db2.gz NZDIWIFMVNSIHV-UONOGXRCSA-N 2 0 334.468 1.053 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000185527720 443214425 /nfs/dbraw/zinc/21/44/25/443214425.db2.gz KXMSCVJOGLABJI-MRXNPFEDSA-N 2 0 328.501 1.518 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000262885585 443216179 /nfs/dbraw/zinc/21/61/79/443216179.db2.gz WJJVEXXCUFGVRU-INIZCTEOSA-N 2 0 345.491 1.898 20 0 EDADRP c1cn2c(n1)C[C@H](c1nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no1)CC2 ZINC000350197198 319043587 /nfs/dbraw/zinc/04/35/87/319043587.db2.gz MPKRRRBYLOKTJS-UPJWGTAASA-N 2 0 326.404 1.852 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000269247316 443249765 /nfs/dbraw/zinc/24/97/65/443249765.db2.gz FCADCBABZULJSI-UKPHBRMFSA-N 2 0 333.432 1.069 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCNC(=O)C1CCC1 ZINC000360054234 319116803 /nfs/dbraw/zinc/11/68/03/319116803.db2.gz BDWCLHOFMJZCAE-KBAYOESNSA-N 2 0 337.508 1.772 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCCO[C@@H]2CC(C)C)CC1 ZINC000411555389 319184427 /nfs/dbraw/zinc/18/44/27/319184427.db2.gz GVMWAMSYDJVABL-DLBZAZTESA-N 2 0 325.497 1.770 20 0 EDADRP CO[C@](C)([C@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411953661 319216360 /nfs/dbraw/zinc/21/63/60/319216360.db2.gz RZSXIHKERYMOAP-KBXCAEBGSA-N 2 0 325.497 1.769 20 0 EDADRP C[C@@H]1[C@@H](CO)CCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000412091931 319223462 /nfs/dbraw/zinc/22/34/62/319223462.db2.gz QXOHMGOFXFIVME-NXHRZFHOSA-N 2 0 333.476 1.498 20 0 EDADRP COCC[C@@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414204995 319319603 /nfs/dbraw/zinc/31/96/03/319319603.db2.gz WYHFCPQZEJSKCI-ZWKOTPCHSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(O)c1 ZINC000414205188 319319615 /nfs/dbraw/zinc/31/96/15/319319615.db2.gz XBBYQMPJTMCSAI-MRXNPFEDSA-N 2 0 333.476 1.839 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCCC1 ZINC000414650011 319336249 /nfs/dbraw/zinc/33/62/49/319336249.db2.gz ARAOBFMDKQEBQA-UHFFFAOYSA-N 2 0 344.459 1.261 20 0 EDADRP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414664899 319338244 /nfs/dbraw/zinc/33/82/44/319338244.db2.gz DABRJOORPJLHBU-AWEZNQCLSA-N 2 0 341.402 1.917 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414678736 319340725 /nfs/dbraw/zinc/34/07/25/319340725.db2.gz QWYMJVOZYQCJOY-HOTGVXAUSA-N 2 0 349.450 1.737 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)CC(C)C ZINC000414681079 319341251 /nfs/dbraw/zinc/34/12/51/319341251.db2.gz OGVSRQNYZZAVBS-QGZVFWFLSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414682417 319341848 /nfs/dbraw/zinc/34/18/48/319341848.db2.gz RCYSDGFZSFHMGN-JKSUJKDBSA-N 2 0 348.466 1.770 20 0 EDADRP C[N@H+](CCOc1ccc(Cl)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414685212 319342384 /nfs/dbraw/zinc/34/23/84/319342384.db2.gz YIRPNJVMYXXGPQ-AWEZNQCLSA-N 2 0 339.867 1.848 20 0 EDADRP Clc1cc(C[NH2+]CCCN2CC[NH2+]CC2)cc2c1OCCO2 ZINC000414776553 319343749 /nfs/dbraw/zinc/34/37/49/319343749.db2.gz FPYMVGKLMCXRTC-UHFFFAOYSA-N 2 0 325.840 1.496 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)cc1 ZINC000415243414 319356383 /nfs/dbraw/zinc/35/63/83/319356383.db2.gz KTTCDFNQGOLRQQ-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415793436 319370698 /nfs/dbraw/zinc/37/06/98/319370698.db2.gz USZDWBSLAPKCLB-HUUCEWRRSA-N 2 0 346.475 1.505 20 0 EDADRP C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C[NH3+] ZINC000415837914 319376534 /nfs/dbraw/zinc/37/65/34/319376534.db2.gz CYKXVDUAIWHZNL-HIFRSBDPSA-N 2 0 332.448 1.130 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCC(=O)Nc1cccc(F)c1 ZINC000266956323 443302294 /nfs/dbraw/zinc/30/22/94/443302294.db2.gz VPUFPYRZYAHWHB-UHFFFAOYSA-N 2 0 336.455 1.724 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000416807588 319461989 /nfs/dbraw/zinc/46/19/89/319461989.db2.gz HGYZRVAQAHXTLN-CABCVRRESA-N 2 0 336.436 1.094 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000416825240 319463994 /nfs/dbraw/zinc/46/39/94/319463994.db2.gz AOZWLGLZNVQEDZ-SJLPKXTDSA-N 2 0 334.439 1.823 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416833672 319465068 /nfs/dbraw/zinc/46/50/68/319465068.db2.gz CSQUWZQGAXPHDY-QLFBSQMISA-N 2 0 334.489 1.746 20 0 EDADRP COCC1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CC[NH2+]CC1 ZINC000416834986 319465078 /nfs/dbraw/zinc/46/50/78/319465078.db2.gz YRCSDDHINNDNTR-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP CC1(C)CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000278398473 443319205 /nfs/dbraw/zinc/31/92/05/443319205.db2.gz BHPGIXKUHKHZTH-QGZVFWFLSA-N 2 0 346.475 1.668 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)C[C@@H](C)O1 ZINC000416939113 319479730 /nfs/dbraw/zinc/47/97/30/319479730.db2.gz GWVUKORTZUFXLH-IIAWOOMASA-N 2 0 326.485 1.302 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416950859 319483499 /nfs/dbraw/zinc/48/34/99/319483499.db2.gz IGDMGIFFCLSDBI-NVXWUHKLSA-N 2 0 340.512 1.422 20 0 EDADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272509937 443345281 /nfs/dbraw/zinc/34/52/81/443345281.db2.gz OSIUIIOPBPVHIA-RDJZCZTQSA-N 2 0 339.505 1.426 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)CC(C)C ZINC000419121400 319557809 /nfs/dbraw/zinc/55/78/09/319557809.db2.gz DOLOGGKBLDHRBV-CVEARBPZSA-N 2 0 340.512 1.117 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000264653116 443362870 /nfs/dbraw/zinc/36/28/70/443362870.db2.gz GXUUWUNEDCDABR-KRWDZBQOSA-N 2 0 344.503 1.899 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CC(C)(C)O ZINC000267169086 443365128 /nfs/dbraw/zinc/36/51/28/443365128.db2.gz TYUHUTKGYHQCTQ-MRXNPFEDSA-N 2 0 347.503 1.858 20 0 EDADRP C[C@@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C[C@@H]1[NH3+] ZINC000420388347 319615191 /nfs/dbraw/zinc/61/51/91/319615191.db2.gz WSYZECZRZZVSJH-PBHICJAKSA-N 2 0 348.516 1.453 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000264736589 443398393 /nfs/dbraw/zinc/39/83/93/443398393.db2.gz FVNVLXDHIBLMCP-AEFFLSMTSA-N 2 0 332.492 1.432 20 0 EDADRP COC[C@H](CCC[NH3+])Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000422952152 319740891 /nfs/dbraw/zinc/74/08/91/319740891.db2.gz AARMSCWELNZOTR-HNNXBMFYSA-N 2 0 335.496 1.778 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)c1 ZINC000423256927 319759258 /nfs/dbraw/zinc/75/92/58/319759258.db2.gz GRVRQBJMKMXYTE-KBPBESRZSA-N 2 0 325.478 1.635 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000423541815 319783658 /nfs/dbraw/zinc/78/36/58/319783658.db2.gz FSUYOEZRTXFDNS-QQFBHYJXSA-N 3 0 325.497 1.770 20 0 EDADRP CN(C)c1ncc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)n1C ZINC000425349686 319832853 /nfs/dbraw/zinc/83/28/53/319832853.db2.gz LAOYIDCPAHNIJG-UHFFFAOYSA-N 2 0 334.512 1.134 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000265414918 443634805 /nfs/dbraw/zinc/63/48/05/443634805.db2.gz ICBFEEPJDADKJZ-ZWKOTPCHSA-N 2 0 346.475 1.233 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000433180177 319974280 /nfs/dbraw/zinc/97/42/80/319974280.db2.gz ZVBKTCFVHLYWRJ-INIZCTEOSA-N 2 0 333.480 1.781 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358751 320127914 /nfs/dbraw/zinc/12/79/14/320127914.db2.gz ARNLTMAQJUMUIG-SJLPKXTDSA-N 2 0 339.524 1.801 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCSC1 ZINC000447959911 320150499 /nfs/dbraw/zinc/15/04/99/320150499.db2.gz URKSKFIHSNTGNR-WMLDXEAASA-N 2 0 342.553 1.843 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NC(C)(C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000457590811 320329767 /nfs/dbraw/zinc/32/97/67/320329767.db2.gz ZAFHPAXIUGYFRB-HOTGVXAUSA-N 2 0 342.528 1.905 20 0 EDADRP CCOCCN1CCN(C(=O)NCCCCC[NH+]2CCCC2)CC1 ZINC000458855545 320343254 /nfs/dbraw/zinc/34/32/54/320343254.db2.gz QKYADWSFGQAKRE-UHFFFAOYSA-N 2 0 340.512 1.616 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@H]3OCCN(C)[C@H]3C2)C1 ZINC000460372475 320352143 /nfs/dbraw/zinc/35/21/43/320352143.db2.gz BZINQCZKCUHXGG-YESZJQIVSA-N 2 0 338.496 1.079 20 0 EDADRP Cn1cc(CN2C[C@@H](F)C[C@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000475045038 320353595 /nfs/dbraw/zinc/35/35/95/320353595.db2.gz IKUQQVJYQDGUMI-FJIDUMEYSA-N 2 0 335.471 1.549 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000478621318 320354000 /nfs/dbraw/zinc/35/40/00/320354000.db2.gz GMQPBMWJPZQZPR-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000283645986 443680903 /nfs/dbraw/zinc/68/09/03/443680903.db2.gz XMPCFCVPYCFPPY-INIZCTEOSA-N 2 0 348.491 1.081 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000514606229 320429505 /nfs/dbraw/zinc/42/95/05/320429505.db2.gz VGSZWFGYVKBITI-GPMSIDNRSA-N 2 0 345.487 1.879 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccccc1-n1ccnn1)N1CC[NH+](C)CC1 ZINC000286363311 443698331 /nfs/dbraw/zinc/69/83/31/443698331.db2.gz ZHQAUXZXMWYRSV-HZPDHXFCSA-N 2 0 328.464 1.554 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000276688990 443792112 /nfs/dbraw/zinc/79/21/12/443792112.db2.gz UYLOQALSVBLKAL-DZJNRPSUSA-N 2 0 331.460 1.221 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCCCC1 ZINC000529328778 320574341 /nfs/dbraw/zinc/57/43/41/320574341.db2.gz GTVWMIWPEQMWOA-INIZCTEOSA-N 2 0 338.496 1.448 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288250798 443821140 /nfs/dbraw/zinc/82/11/40/443821140.db2.gz UHIWCHUYXUNXBX-SZMVWBNQSA-N 2 0 348.491 1.650 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCc1ccccc1F ZINC000530240727 320617098 /nfs/dbraw/zinc/61/70/98/320617098.db2.gz NTOJCDUTFZOMLQ-KRWDZBQOSA-N 2 0 349.450 1.532 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298591639 443809661 /nfs/dbraw/zinc/80/96/61/443809661.db2.gz ULWYENNRDULXBC-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP COc1cc(C[NH+]2CCC[C@@H]2CO)cc(C[N@@H+]2CCC[C@H]2CO)c1 ZINC000292658431 443809706 /nfs/dbraw/zinc/80/97/06/443809706.db2.gz PQRDHFNPULIVKL-HDICACEKSA-N 2 0 334.460 1.609 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292940787 443883665 /nfs/dbraw/zinc/88/36/65/443883665.db2.gz JVUPYIJDVXDXMI-IFXJQAMLSA-N 2 0 344.459 1.530 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccc2c[nH+]cn2c1 ZINC000285227951 443903661 /nfs/dbraw/zinc/90/36/61/443903661.db2.gz KJKMJFXKWHIPCA-QZTJIDSGSA-N 2 0 342.443 1.832 20 0 EDADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(O)CCOCC1 ZINC000285572787 444032969 /nfs/dbraw/zinc/03/29/69/444032969.db2.gz WJWZWYVXPLYGHD-UHFFFAOYSA-N 2 0 347.503 1.278 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000557241393 321000803 /nfs/dbraw/zinc/00/08/03/321000803.db2.gz APDHLCRBNLGCQR-QILLFSRXSA-N 2 0 348.466 1.899 20 0 EDADRP COC[C@H](C)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299501821 444064769 /nfs/dbraw/zinc/06/47/69/444064769.db2.gz LXNUGCOHQVZBIZ-INIZCTEOSA-N 2 0 349.479 1.270 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000561186265 321035651 /nfs/dbraw/zinc/03/56/51/321035651.db2.gz QGDUHFSKGAJYDM-KBAYOESNSA-N 2 0 346.475 1.266 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000561215817 321036689 /nfs/dbraw/zinc/03/66/89/321036689.db2.gz HARMOMOMTZPCKO-IRXDYDNUSA-N 2 0 349.523 1.106 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562812169 321077745 /nfs/dbraw/zinc/07/77/45/321077745.db2.gz LPECCBWLOAECMR-GOSISDBHSA-N 2 0 328.460 1.727 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000563714828 321112950 /nfs/dbraw/zinc/11/29/50/321112950.db2.gz MTPGWYAFESHGOH-CRAIPNDOSA-N 2 0 331.460 1.211 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)Nc1cccnc1 ZINC000566118571 321217652 /nfs/dbraw/zinc/21/76/52/321217652.db2.gz XJMGYMORASQHSY-OAHLLOKOSA-N 2 0 332.448 1.501 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccccc2OC(F)F)CC1 ZINC000566125237 321218717 /nfs/dbraw/zinc/21/87/17/321218717.db2.gz QWHIEHFCPOFOOP-HNNXBMFYSA-N 2 0 343.418 1.028 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC[NH2+]C(C)C)CC2)c1 ZINC000566904639 321236021 /nfs/dbraw/zinc/23/60/21/321236021.db2.gz JHHNPXPBVJFFRZ-UHFFFAOYSA-N 2 0 335.452 1.310 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC000566972066 321237526 /nfs/dbraw/zinc/23/75/26/321237526.db2.gz YLHOLDXOPXOMAB-GDBMZVCRSA-N 2 0 332.448 1.646 20 0 EDADRP CCn1ccnc1CN(C(=O)CC[C@@H](C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000567906871 321268297 /nfs/dbraw/zinc/26/82/97/321268297.db2.gz ASYTZCHGKWLVPD-HUUCEWRRSA-N 2 0 333.480 1.501 20 0 EDADRP [NH3+]C1(CNC(=O)c2ccc(=O)[nH]c2)CC[NH+](Cc2ccccc2)CC1 ZINC000568087217 321276439 /nfs/dbraw/zinc/27/64/39/321276439.db2.gz VTWAUALUTAPTHQ-UHFFFAOYSA-N 2 0 340.427 1.511 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000568998086 321314108 /nfs/dbraw/zinc/31/41/08/321314108.db2.gz VRDHTMLNGBDQCD-QUCCMNQESA-N 2 0 342.487 1.896 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569229664 321322205 /nfs/dbraw/zinc/32/22/05/321322205.db2.gz LOCNGCBXYQBVJJ-DRZSPHRISA-N 2 0 333.354 1.865 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C[N@@H+]1C1CC1 ZINC000570925770 321363495 /nfs/dbraw/zinc/36/34/95/321363495.db2.gz KOTWGQADAVCWMG-XUWXXGDYSA-N 2 0 328.460 1.879 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccnn3C)CC2)CC1 ZINC000285798959 444110996 /nfs/dbraw/zinc/11/09/96/444110996.db2.gz ZZVUWHKAZALNBV-UHFFFAOYSA-N 2 0 331.508 1.925 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000572282437 321424617 /nfs/dbraw/zinc/42/46/17/321424617.db2.gz AMOVMVJZCBIZDU-JKSUJKDBSA-N 2 0 339.528 1.312 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000573330330 321449367 /nfs/dbraw/zinc/44/93/67/321449367.db2.gz PHOXRYSHYMKRQM-SFHVURJKSA-N 2 0 348.491 1.877 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000574570951 321490346 /nfs/dbraw/zinc/49/03/46/321490346.db2.gz XZMWPVULJIGYJJ-UHFFFAOYSA-N 2 0 339.480 1.034 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000289885316 444215089 /nfs/dbraw/zinc/21/50/89/444215089.db2.gz STXSXSMQTWNUEP-MOPGFXCFSA-N 2 0 342.487 1.116 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000289924930 444220188 /nfs/dbraw/zinc/22/01/88/444220188.db2.gz NYLMQMCJMUCFLC-MRXNPFEDSA-N 2 0 348.447 1.048 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000305146203 444260924 /nfs/dbraw/zinc/26/09/24/444260924.db2.gz RWRVIIDHOMAKSV-YPMHNXCESA-N 2 0 331.258 1.080 20 0 EDADRP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+]1CCCCCC1 ZINC000305144218 444261105 /nfs/dbraw/zinc/26/11/05/444261105.db2.gz XOOYFYLBRAUFLS-IAGOWNOFSA-N 2 0 325.497 1.604 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000290030703 444232982 /nfs/dbraw/zinc/23/29/82/444232982.db2.gz RVZSAJFAHOMWSE-IIDMSEBBSA-N 2 0 333.476 1.754 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000303241016 444235484 /nfs/dbraw/zinc/23/54/84/444235484.db2.gz BLFKXYWAZPWIEM-JKSUJKDBSA-N 2 0 325.497 1.270 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CO2 ZINC000297651613 444313735 /nfs/dbraw/zinc/31/37/35/444313735.db2.gz KEHZWUPFUSVLIO-DOTOQJQBSA-N 2 0 333.476 1.472 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC(F)(F)F ZINC000577827608 321684976 /nfs/dbraw/zinc/68/49/76/321684976.db2.gz HRVMDLKEMACCMZ-LBPRGKRZSA-N 2 0 326.407 1.710 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000578005198 321705817 /nfs/dbraw/zinc/70/58/17/321705817.db2.gz PUGGZNNIKQDQJK-WMLDXEAASA-N 2 0 337.489 1.704 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851129 444292950 /nfs/dbraw/zinc/29/29/50/444292950.db2.gz OLABSKSGTLRVBE-AZUAARDMSA-N 2 0 345.487 1.641 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000327861761 444383809 /nfs/dbraw/zinc/38/38/09/444383809.db2.gz OSMDWUADFXAFIP-KSSFIOAISA-N 2 0 349.450 1.915 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000580307620 322034022 /nfs/dbraw/zinc/03/40/22/322034022.db2.gz YKXCDTSPUOMFSR-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)[NH3+] ZINC000580307788 322034235 /nfs/dbraw/zinc/03/42/35/322034235.db2.gz BJRJLHOOEKXZRB-AEFFLSMTSA-N 3 0 347.507 1.329 20 0 EDADRP CN1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)[C@@H](C[NH3+])C1 ZINC000580703857 322084596 /nfs/dbraw/zinc/08/45/96/322084596.db2.gz OJRQZIDRWLPRJR-JSGCOSHPSA-N 2 0 338.452 1.647 20 0 EDADRP COC[C@]1(CN[C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708956 322085214 /nfs/dbraw/zinc/08/52/14/322085214.db2.gz VDAGWBCSZHWONC-QXAKKESOSA-N 2 0 331.460 1.601 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000580894648 322109629 /nfs/dbraw/zinc/10/96/29/322109629.db2.gz JHVWSCRNDFUWCD-SFHVURJKSA-N 2 0 343.475 1.306 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000581189195 322147343 /nfs/dbraw/zinc/14/73/43/322147343.db2.gz AJRDNFWZCVDQFU-ROUUACIJSA-N 2 0 330.476 1.313 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246087 322154315 /nfs/dbraw/zinc/15/43/15/322154315.db2.gz HVNQRNPYOSBKBF-OALUTQOASA-N 2 0 328.460 1.398 20 0 EDADRP Cc1c(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)nnn1C1CC[NH2+]CC1 ZINC000581371343 322170025 /nfs/dbraw/zinc/17/00/25/322170025.db2.gz WFVLQDOOWJCIDQ-CQSZACIVSA-N 2 0 340.431 1.041 20 0 EDADRP C[C@H]1OCC[C@@]1(C)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000581377321 322170821 /nfs/dbraw/zinc/17/08/21/322170821.db2.gz KKLJCHYOYMXNPU-CRAIPNDOSA-N 2 0 332.448 1.277 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000581937770 322234734 /nfs/dbraw/zinc/23/47/34/322234734.db2.gz NIIDZKODWGYPJZ-WNRNVDISSA-N 2 0 328.460 1.055 20 0 EDADRP CCOCCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000338233606 444577793 /nfs/dbraw/zinc/57/77/93/444577793.db2.gz BZRGFSRIUNEEFI-UHFFFAOYSA-N 2 0 349.479 1.320 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H](C)N(CCO)[C@@H](C)C2)cn2ccnc12 ZINC000333576364 444682653 /nfs/dbraw/zinc/68/26/53/444682653.db2.gz ZBBQTOGVVXQVEO-OKILXGFUSA-N 2 0 331.420 1.562 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC[C@H]2C(C)C)C1 ZINC000343937812 444681472 /nfs/dbraw/zinc/68/14/72/444681472.db2.gz QGMGUMMLFPFHJM-MSOLQXFVSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@]1(CNC(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CCC[NH2+]C1 ZINC000333859186 444703589 /nfs/dbraw/zinc/70/35/89/444703589.db2.gz RPCRWZHKRNFTJU-RYRKJORJSA-N 2 0 338.496 1.304 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333901961 444713956 /nfs/dbraw/zinc/71/39/56/444713956.db2.gz ZJMNZFGVJMHANU-RCCFBDPRSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000333946604 444725720 /nfs/dbraw/zinc/72/57/20/444725720.db2.gz UVEKCKNYQAPSFD-CABCVRRESA-N 2 0 331.464 1.438 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333661633 444688854 /nfs/dbraw/zinc/68/88/54/444688854.db2.gz LPRFVTSUGVLJMV-FCCDEINASA-N 2 0 349.523 1.081 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(=O)OC ZINC000343955104 444692304 /nfs/dbraw/zinc/69/23/04/444692304.db2.gz SUPNSPYICTVVPQ-LSDHHAIUSA-N 2 0 327.469 1.060 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C[C@H](C)[N@H+]1C ZINC000334000398 444742783 /nfs/dbraw/zinc/74/27/83/444742783.db2.gz REZYDXHKZCOUGO-YALNPMBYSA-N 2 0 338.496 1.098 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC[C@H]1CCCO1)c1ccccc1 ZINC000342561596 444744625 /nfs/dbraw/zinc/74/46/25/444744625.db2.gz BSBHCZKXLKFOQV-QZTJIDSGSA-N 2 0 333.476 1.906 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870225 444814613 /nfs/dbraw/zinc/81/46/13/444814613.db2.gz ICZTZUPXLWJEEJ-DLBZAZTESA-N 2 0 326.481 1.207 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC[N@@H+]1C ZINC000344235887 444855239 /nfs/dbraw/zinc/85/52/39/444855239.db2.gz MOYBKEGDBQVZGS-GPMSIDNRSA-N 2 0 345.487 1.600 20 0 EDADRP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@H]2C[C@H](C)N(C3CC3)C2)CC(=O)N1C ZINC000330178945 444875492 /nfs/dbraw/zinc/87/54/92/444875492.db2.gz FAMQQXXROLUPSF-ZSSKPJBNSA-N 2 0 345.491 1.524 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337031424 444908222 /nfs/dbraw/zinc/90/82/22/444908222.db2.gz GFCXMKFALFBIBV-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP CCc1oc(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1C(=O)OC ZINC000338939007 444945298 /nfs/dbraw/zinc/94/52/98/444945298.db2.gz GRUYWDRRAQFDEO-UHFFFAOYSA-N 2 0 337.464 1.744 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000342906356 444933862 /nfs/dbraw/zinc/93/38/62/444933862.db2.gz ZWQUVTSPKCPUGZ-KDOFPFPSSA-N 2 0 330.476 1.746 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)CC(C)C ZINC000341897103 445058739 /nfs/dbraw/zinc/05/87/39/445058739.db2.gz KARGWOQRDOGHHA-IRXDYDNUSA-N 2 0 327.513 1.827 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000337474883 445096553 /nfs/dbraw/zinc/09/65/53/445096553.db2.gz XPPVPGCUXQJBNR-SFHVURJKSA-N 2 0 328.416 1.290 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@@H](C)O1 ZINC000339225749 445099687 /nfs/dbraw/zinc/09/96/87/445099687.db2.gz ICMFXLUZEFMTPN-HZPDHXFCSA-N 2 0 348.491 1.762 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@@H](C)O1 ZINC000337583280 445150784 /nfs/dbraw/zinc/15/07/84/445150784.db2.gz PMOJYYORIOCTTA-VQHPVUNQSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@@H]1CN(CC2(C[NH+]3C[C@H](C)N(C)[C@@H](C)C3)COC2)C[C@@H](C)[NH+]1C ZINC000339621731 445154363 /nfs/dbraw/zinc/15/43/63/445154363.db2.gz JHUWUVROCHRFFQ-BALXVJCKSA-N 2 0 338.540 1.052 20 0 EDADRP Cn1cc(C[NH+]2CCC(OCCC[NH3+])CC2)c(-c2cccnc2)n1 ZINC000346691791 445223220 /nfs/dbraw/zinc/22/32/20/445223220.db2.gz WJAGVRQADJCTNJ-UHFFFAOYSA-N 2 0 329.448 1.812 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)C[C@H]2CCCN(C)[C@H]2c2ccnn2C)CCO1 ZINC000346938828 445228448 /nfs/dbraw/zinc/22/84/48/445228448.db2.gz UGTWYKIHDQMHCG-ZHALLVOQSA-N 2 0 349.523 1.456 20 0 EDADRP CO[C@H](C)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000354465167 445249198 /nfs/dbraw/zinc/24/91/98/445249198.db2.gz UVWSFHHVRBZBPK-SJORKVTESA-N 2 0 343.512 1.205 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSCC[C@H]2C)C1 ZINC000348187991 445310246 /nfs/dbraw/zinc/31/02/46/445310246.db2.gz QVPWXODBKAUGFQ-CVEARBPZSA-N 2 0 343.537 1.287 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859148 445345403 /nfs/dbraw/zinc/34/54/03/445345403.db2.gz FQABABYACXFNJJ-HZPDHXFCSA-N 2 0 348.466 1.534 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N1CCc2sccc2C1 ZINC000357092585 445423528 /nfs/dbraw/zinc/42/35/28/445423528.db2.gz XGENPTBPXFWXLI-HNNXBMFYSA-N 2 0 333.501 1.954 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357093403 445424133 /nfs/dbraw/zinc/42/41/33/445424133.db2.gz YGOSFPONEVDHNL-KRWDZBQOSA-N 2 0 345.487 1.975 20 0 EDADRP Cc1n[nH]c(C)c1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348933395 445447219 /nfs/dbraw/zinc/44/72/19/445447219.db2.gz JIRLWZATNGQFBE-UHFFFAOYSA-N 2 0 347.507 1.841 20 0 EDADRP Cn1nccc1[C@@H]1[C@@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000348951341 445451789 /nfs/dbraw/zinc/45/17/89/445451789.db2.gz VHZSIGSRFXPMBG-WBVHZDCISA-N 2 0 333.480 1.261 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857843 445462942 /nfs/dbraw/zinc/46/29/42/445462942.db2.gz PIEHZQKXPZYGON-GJZGRUSLSA-N 2 0 336.480 1.561 20 0 EDADRP COc1ccc(CCC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000362709296 445511683 /nfs/dbraw/zinc/51/16/83/445511683.db2.gz DNERBWYQFBYDHP-KRWDZBQOSA-N 2 0 345.487 1.913 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCC(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000352102921 445493358 /nfs/dbraw/zinc/49/33/58/445493358.db2.gz VIFTZYLMCYOKFC-MAUKXSAKSA-N 2 0 348.491 1.113 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000357240122 445500508 /nfs/dbraw/zinc/50/05/08/445500508.db2.gz JLUHYEREABWFJZ-QRQLOZEOSA-N 2 0 345.487 1.876 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC[NH+](C)C)C(C)C ZINC000349408590 445579557 /nfs/dbraw/zinc/57/95/57/445579557.db2.gz GDAJIIUMISNAPY-INIZCTEOSA-N 2 0 340.512 1.166 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356070328 445601783 /nfs/dbraw/zinc/60/17/83/445601783.db2.gz RPZACNGAZHELBE-BHIYHBOVSA-N 2 0 347.503 1.811 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000353422348 445594680 /nfs/dbraw/zinc/59/46/80/445594680.db2.gz BIWBRISJJKLTLT-QZTJIDSGSA-N 2 0 336.524 1.295 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](CCC[NH+]3CCCC3)CC2)C[C@H](C)O1 ZINC000363006395 445647159 /nfs/dbraw/zinc/64/71/59/445647159.db2.gz HDBFCUXJGFYYAS-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC1(O)CCC1 ZINC000353540062 445648538 /nfs/dbraw/zinc/64/85/38/445648538.db2.gz YGIFHBCEPGSBRL-SJLPKXTDSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360243149 445652093 /nfs/dbraw/zinc/65/20/93/445652093.db2.gz UDKZPHWNHOMHRT-GDBMZVCRSA-N 2 0 328.526 1.597 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000353554082 445654585 /nfs/dbraw/zinc/65/45/85/445654585.db2.gz UMROZGGPUGLVBZ-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353569573 445660718 /nfs/dbraw/zinc/66/07/18/445660718.db2.gz RJDRDUDECVPCRF-GOSISDBHSA-N 2 0 340.556 1.493 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353576660 445663681 /nfs/dbraw/zinc/66/36/81/445663681.db2.gz JCODYYKIUNHGET-QGZVFWFLSA-N 3 0 333.480 1.227 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000353579490 445664575 /nfs/dbraw/zinc/66/45/75/445664575.db2.gz PVCHMVBJMJAPDC-ZWKOTPCHSA-N 2 0 330.476 1.315 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H](c1ccccc1)[NH+](C)C ZINC000356233289 445690124 /nfs/dbraw/zinc/69/01/24/445690124.db2.gz PPKXMGCYPVLNKE-SZMVWBNQSA-N 2 0 330.476 1.184 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000349845583 445697229 /nfs/dbraw/zinc/69/72/29/445697229.db2.gz HQSCLJZWZRZFHZ-IAGOWNOFSA-N 2 0 340.512 1.205 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC1 ZINC000356284383 445717665 /nfs/dbraw/zinc/71/76/65/445717665.db2.gz PGBTYBHQAXJANZ-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@H](C)C3)cn2)CC1 ZINC000358688765 445718655 /nfs/dbraw/zinc/71/86/55/445718655.db2.gz SXZYVRGAPDLIPP-WBVHZDCISA-N 2 0 345.491 1.228 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000353595525 445671684 /nfs/dbraw/zinc/67/16/84/445671684.db2.gz ZYQUZFMQVFKUQF-CQSZACIVSA-N 2 0 335.452 1.262 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000361467883 445773561 /nfs/dbraw/zinc/77/35/61/445773561.db2.gz YGWAVWZEUOVZFT-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP c1ccc(CCN2CCC([NH2+]CCNc3cnccn3)CC2)cc1 ZINC000361365433 445763366 /nfs/dbraw/zinc/76/33/66/445763366.db2.gz KDBUEIQGABETMS-UHFFFAOYSA-N 2 0 325.460 2.185 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000356509907 445831942 /nfs/dbraw/zinc/83/19/42/445831942.db2.gz UYVDNMGBEKFOEY-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000363437040 445802006 /nfs/dbraw/zinc/80/20/06/445802006.db2.gz NVKWXCYINOMKBZ-MRXNPFEDSA-N 2 0 348.495 1.640 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC[NH2+]1 ZINC000358860819 445816098 /nfs/dbraw/zinc/81/60/98/445816098.db2.gz RIEUTIUFVRAPTK-CVEARBPZSA-N 2 0 333.480 1.194 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000358911341 445844702 /nfs/dbraw/zinc/84/47/02/445844702.db2.gz CYYGLFZAHLYCGK-OAHLLOKOSA-N 2 0 327.432 1.478 20 0 EDADRP CC[C@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000356574821 445866300 /nfs/dbraw/zinc/86/63/00/445866300.db2.gz JEZIRKLERDJKQJ-SJORKVTESA-N 2 0 327.513 1.924 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000364060887 445893654 /nfs/dbraw/zinc/89/36/54/445893654.db2.gz RTHMWVLMORDREW-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000364175009 445899476 /nfs/dbraw/zinc/89/94/76/445899476.db2.gz YWHCLPCULAJRPA-JJRVBVJISA-N 2 0 349.425 1.916 20 0 EDADRP COCC1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC[NH2+]CC1 ZINC000582349599 325825922 /nfs/dbraw/zinc/82/59/22/325825922.db2.gz JRKTVJMAIRBLNJ-UHFFFAOYSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H](O)COC(=O)CC[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000369076281 445912336 /nfs/dbraw/zinc/91/23/36/445912336.db2.gz JYLLJNAKWBIDNY-MRXNPFEDSA-N 2 0 326.481 1.744 20 0 EDADRP Cc1cc(NC[C@@]2(N3CCOCC3)CCCOC2)nc(C2CC2)n1 ZINC000364438310 445922000 /nfs/dbraw/zinc/92/20/00/445922000.db2.gz PPCDOXFTZQTKDN-SFHVURJKSA-N 2 0 332.448 1.956 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000582480667 325855306 /nfs/dbraw/zinc/85/53/06/325855306.db2.gz IQRZAZAXJMNBPU-MAUKXSAKSA-N 2 0 331.460 1.637 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000366045404 445978958 /nfs/dbraw/zinc/97/89/58/445978958.db2.gz RVKYIUPQEOMWSE-CQSZACIVSA-N 2 0 329.448 1.928 20 0 EDADRP O=C(c1ccc2c(c1)OCO2)N1CC[NH+](CCC2CC[NH2+]CC2)CC1 ZINC000359217241 446047434 /nfs/dbraw/zinc/04/74/34/446047434.db2.gz JYHWCMCWEDZQFH-UHFFFAOYSA-N 2 0 345.443 1.563 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000583386369 326063444 /nfs/dbraw/zinc/06/34/44/326063444.db2.gz UDPYTIFCOZLIPD-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]C1(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C2CC3CC(C2)CC1C3 ZINC000583498897 326085328 /nfs/dbraw/zinc/08/53/28/326085328.db2.gz BQKISQSSYLJNJG-ZVOHSCJNSA-N 2 0 343.475 1.370 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000583695228 326121470 /nfs/dbraw/zinc/12/14/70/326121470.db2.gz BSQAROMSZJRHCR-IBGZPJMESA-N 2 0 346.475 1.839 20 0 EDADRP C[C@H](O)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000584108771 326200580 /nfs/dbraw/zinc/20/05/80/326200580.db2.gz SSSIHUHJQKWJJM-LBPRGKRZSA-N 2 0 331.382 1.928 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C[C@H](O)C[N@H+](C)C3CC3)CC2)C[C@@H](C)O1 ZINC000351474851 446074843 /nfs/dbraw/zinc/07/48/43/446074843.db2.gz HNNTXNOTOYNGOV-GPMSIDNRSA-N 2 0 339.524 1.263 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000369345432 446089834 /nfs/dbraw/zinc/08/98/34/446089834.db2.gz LAUVRODFUSKEPF-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359266887 446103572 /nfs/dbraw/zinc/10/35/72/446103572.db2.gz UXOOJHDZNRLEAF-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359274861 446111199 /nfs/dbraw/zinc/11/11/99/446111199.db2.gz FBIGZGPUJLNYCT-OAHLLOKOSA-N 2 0 336.480 1.167 20 0 EDADRP CCOC(=O)c1coc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000354333241 446119345 /nfs/dbraw/zinc/11/93/45/446119345.db2.gz XOEWZNIDXOCLQV-CYBMUJFWSA-N 2 0 337.420 1.133 20 0 EDADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000369439677 446121403 /nfs/dbraw/zinc/12/14/03/446121403.db2.gz WQQGTYPIAVTLCI-KBAYOESNSA-N 2 0 330.476 1.998 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000362027030 446163450 /nfs/dbraw/zinc/16/34/50/446163450.db2.gz XQBXYWHBLWBLJM-UHFFFAOYSA-N 2 0 344.459 1.701 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3C[C@@H](C)[C@H](CO)C3)cc2)C[C@H]1CO ZINC000362073568 446193490 /nfs/dbraw/zinc/19/34/90/446193490.db2.gz XSVZJNJHRYCLMQ-JSJNYSNDSA-N 2 0 332.488 1.807 20 0 EDADRP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@@H]3C(F)(F)F)C[C@H]2C1 ZINC000351590801 446188418 /nfs/dbraw/zinc/18/84/18/446188418.db2.gz ZBEWYTRGTRJTOI-SYQHCUMBSA-N 2 0 347.425 1.915 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000373300114 446153935 /nfs/dbraw/zinc/15/39/35/446153935.db2.gz QGXQJYPGYRBZBB-OAHLLOKOSA-N 2 0 335.492 1.573 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1)C(C)C ZINC000359401814 446202781 /nfs/dbraw/zinc/20/27/81/446202781.db2.gz QSXSZNLUXHWQTF-JKSUJKDBSA-N 2 0 340.512 1.020 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000359419268 446212646 /nfs/dbraw/zinc/21/26/46/446212646.db2.gz YTZQFQWXRXKVHJ-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288073 446214873 /nfs/dbraw/zinc/21/48/73/446214873.db2.gz LKDWSYSDUFFNIF-SFHVURJKSA-N 2 0 336.524 1.348 20 0 EDADRP OC[C@H]1[C@@H]2C[NH+](Cc3cccc(C[N@H+]4C[C@H]5[C@H](CO)[C@H]5C4)c3)C[C@H]12 ZINC000366444459 446218230 /nfs/dbraw/zinc/21/82/30/446218230.db2.gz RPRUGTAREJILJV-BVFILSHUSA-N 2 0 328.456 1.027 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000365498338 446231766 /nfs/dbraw/zinc/23/17/66/446231766.db2.gz NDUCXLMZNRZCQH-BRWVUGGUSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(C1CC[NH+](Cc2cccnc2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000365527503 446242230 /nfs/dbraw/zinc/24/22/30/446242230.db2.gz MMYWCAUTKHXSAY-UHFFFAOYSA-N 2 0 342.487 1.990 20 0 EDADRP O=C(NC[C@@H]1CN(C2CC2)CCO1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000366536229 446252450 /nfs/dbraw/zinc/25/24/50/446252450.db2.gz UUKPFCBACUFIQE-HUUCEWRRSA-N 2 0 333.436 1.510 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)[C@@]2(F)CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000365660159 446292128 /nfs/dbraw/zinc/29/21/28/446292128.db2.gz FHHIKBSRKSRJJK-MAUKXSAKSA-N 2 0 343.487 1.816 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[NH2+][C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417338402 446347594 /nfs/dbraw/zinc/34/75/94/446347594.db2.gz KBMTUTMLOBABER-RKVPGOIHSA-N 2 0 330.476 1.873 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCOc3ccccc3C2)CC[N@@H+]1C ZINC000370541629 446323945 /nfs/dbraw/zinc/32/39/45/446323945.db2.gz HZNVHCHHIQYHMI-WBVHZDCISA-N 2 0 331.460 1.870 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CCSC2)CCN1C1CC[NH+](C)CC1 ZINC000365753616 446329221 /nfs/dbraw/zinc/32/92/21/446329221.db2.gz NQXDXEWGPMQKLN-LSDHHAIUSA-N 2 0 340.537 1.549 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000370612067 446358363 /nfs/dbraw/zinc/35/83/63/446358363.db2.gz HXHOSUXRYPAHPM-LJQANCHMSA-N 2 0 327.472 1.893 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCC2([NH3+])CCC2)cc1 ZINC000417527505 446361362 /nfs/dbraw/zinc/36/13/62/446361362.db2.gz OAYIDZQKVWSKHI-UHFFFAOYSA-N 2 0 334.464 1.350 20 0 EDADRP COC[C@]1(CNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CCC[NH2+]1 ZINC000417528711 446361998 /nfs/dbraw/zinc/36/19/98/446361998.db2.gz FNHKOYBARDSHCT-BFYDXBDKSA-N 2 0 326.485 1.317 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000417932070 446390545 /nfs/dbraw/zinc/39/05/45/446390545.db2.gz MAKIYCSQOWYXDD-GJZGRUSLSA-N 2 0 333.480 1.762 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000423137903 446435955 /nfs/dbraw/zinc/43/59/55/446435955.db2.gz XGKPKXFEIRKCSN-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1)N1CC[NH2+]CC1 ZINC000420287443 446452768 /nfs/dbraw/zinc/45/27/68/446452768.db2.gz GJOSHHULBCSHFJ-ZDUSSCGKSA-N 2 0 345.472 1.335 20 0 EDADRP CN1CCN(C(=O)CC[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000366977000 446439488 /nfs/dbraw/zinc/43/94/88/446439488.db2.gz QKMQMMOKQDZOOC-KRWDZBQOSA-N 2 0 348.535 1.347 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418099199 446440048 /nfs/dbraw/zinc/44/00/48/446440048.db2.gz BSQZJFIBNXZLQW-AZUAARDMSA-N 2 0 342.487 1.904 20 0 EDADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1ccnc(N2CCCO[C@H](C[NH3+])C2)n1 ZINC000420288146 446453374 /nfs/dbraw/zinc/45/33/74/446453374.db2.gz SCFOAYNXSZMANW-VYDXJSESSA-N 2 0 349.479 1.646 20 0 EDADRP C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982872 446406561 /nfs/dbraw/zinc/40/65/61/446406561.db2.gz AVQYVABFDUUENJ-OWYHZJEWSA-N 2 0 342.487 1.758 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000417981810 446406953 /nfs/dbraw/zinc/40/69/53/446406953.db2.gz ANVDCYOAONQWHZ-CRAIPNDOSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH2+]CCCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417984525 446408218 /nfs/dbraw/zinc/40/82/18/446408218.db2.gz GIEKOIWGCPJXKA-ZWKOTPCHSA-N 2 0 346.475 1.882 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417988242 446409396 /nfs/dbraw/zinc/40/93/96/446409396.db2.gz ILOXBGAFTXERKZ-QGTPRVQTSA-N 2 0 346.475 1.193 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418039676 446423126 /nfs/dbraw/zinc/42/31/26/446423126.db2.gz USCXWEAEFFLGDO-ZWKOTPCHSA-N 2 0 348.491 1.512 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000418227418 446464786 /nfs/dbraw/zinc/46/47/86/446464786.db2.gz QRFGSSYZXHGWKO-KRWDZBQOSA-N 2 0 334.464 1.270 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423306800 446481530 /nfs/dbraw/zinc/48/15/30/446481530.db2.gz MACRXGJDTBGPAX-DOTOQJQBSA-N 2 0 333.480 1.802 20 0 EDADRP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](C[NH3+])c1ccc(OC)cc1)CC2 ZINC000420315102 446480290 /nfs/dbraw/zinc/48/02/90/446480290.db2.gz ZQYDCZYDEXSHTP-QXAKKESOSA-N 2 0 348.487 1.989 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc1OC ZINC000420321784 446487881 /nfs/dbraw/zinc/48/78/81/446487881.db2.gz RSYJDUFOLQSADY-OAHLLOKOSA-N 2 0 347.459 1.461 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423329015 446489997 /nfs/dbraw/zinc/48/99/97/446489997.db2.gz MOXZKQBPKJSGGD-PMPSAXMXSA-N 2 0 347.507 1.737 20 0 EDADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420324807 446490949 /nfs/dbraw/zinc/49/09/49/446490949.db2.gz HPUWJQIRHHUYOY-OWLYRPNTSA-N 2 0 337.508 1.994 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420325064 446491165 /nfs/dbraw/zinc/49/11/65/446491165.db2.gz HXVKLVHXFILKTF-CVEARBPZSA-N 2 0 345.443 1.733 20 0 EDADRP Cc1cccn2c(=O)cc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc12 ZINC000420334468 446504873 /nfs/dbraw/zinc/50/48/73/446504873.db2.gz GLJBVHPSAXQZME-HZPDHXFCSA-N 2 0 326.444 1.824 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423375625 446508257 /nfs/dbraw/zinc/50/82/57/446508257.db2.gz UKRPISCHLWDPLB-APWZRJJASA-N 2 0 329.444 1.581 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420342318 446513054 /nfs/dbraw/zinc/51/30/54/446513054.db2.gz PGNADXYOAYYVJC-SJORKVTESA-N 2 0 331.460 1.633 20 0 EDADRP CC1CC[NH+](CCNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423341054 446496671 /nfs/dbraw/zinc/49/66/71/446496671.db2.gz WKLZZPOGEOHUJE-OAHLLOKOSA-N 2 0 333.480 1.349 20 0 EDADRP CC[NH2+]CCNC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418322701 446497059 /nfs/dbraw/zinc/49/70/59/446497059.db2.gz DAELCAPYSKVBTC-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000420329684 446498274 /nfs/dbraw/zinc/49/82/74/446498274.db2.gz ORRJUTCUGDXSLP-OIISXLGYSA-N 2 0 325.497 1.849 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCOCCOc2ccccc2)CC12CCOCC2 ZINC000420329699 446499569 /nfs/dbraw/zinc/49/95/69/446499569.db2.gz OSSSCUAWJCSMPK-QGZVFWFLSA-N 2 0 334.460 1.769 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423360221 446500185 /nfs/dbraw/zinc/50/01/85/446500185.db2.gz QBNIXCBHOYJIHF-HUUCEWRRSA-N 2 0 333.480 1.727 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000423361620 446500427 /nfs/dbraw/zinc/50/04/27/446500427.db2.gz XGXNULQRVNGISV-INIZCTEOSA-N 2 0 345.487 1.774 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000423396734 446516075 /nfs/dbraw/zinc/51/60/75/446516075.db2.gz SKMROXAKVWFQEH-TZMCWYRMSA-N 2 0 346.431 1.483 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cnn(C)c2)C(C)(C)C)CC1 ZINC000411477669 446560465 /nfs/dbraw/zinc/56/04/65/446560465.db2.gz SWBHSOMVOBPXDG-KRWDZBQOSA-N 2 0 335.496 1.697 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423412904 446523669 /nfs/dbraw/zinc/52/36/69/446523669.db2.gz XNQXKWLJMHRZRK-VHDGCEQUSA-N 2 0 325.250 1.476 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)c1cn(CCC[NH3+])nn1 ZINC000423422628 446527650 /nfs/dbraw/zinc/52/76/50/446527650.db2.gz BRVPJDSOODHMNL-LSDHHAIUSA-N 2 0 336.484 1.257 20 0 EDADRP [NH3+]C1CCC(NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000418401181 446529257 /nfs/dbraw/zinc/52/92/57/446529257.db2.gz NIWINDZTRZYLIJ-FAFZWHIHSA-N 2 0 346.475 1.193 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418402531 446530640 /nfs/dbraw/zinc/53/06/40/446530640.db2.gz HPZDSMRQFZXPTJ-GVDBMIGSSA-N 3 0 339.528 1.171 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418404625 446532090 /nfs/dbraw/zinc/53/20/90/446532090.db2.gz CXTFIAVZOXYQJK-ZOWQXGHRSA-N 2 0 332.492 1.928 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C(=O)N1CCCC[C@@H]1C ZINC000433134638 446533134 /nfs/dbraw/zinc/53/31/34/446533134.db2.gz RQLFNCPJAINENF-GJZGRUSLSA-N 2 0 338.496 1.095 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)NCC(C)(C)[NH3+])CC1)Cc1ccccc1 ZINC000418419043 446538945 /nfs/dbraw/zinc/53/89/45/446538945.db2.gz YZQNLXSTSHYJTC-UHFFFAOYSA-N 2 0 347.507 1.183 20 0 EDADRP Cc1ccncc1CCC[N@H+]1CC[C@@H](N(C)Cc2nccc(N)n2)C1 ZINC000367370928 446539611 /nfs/dbraw/zinc/53/96/11/446539611.db2.gz NIRWMYICHCDQAZ-QGZVFWFLSA-N 2 0 340.475 1.901 20 0 EDADRP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423443286 446541566 /nfs/dbraw/zinc/54/15/66/446541566.db2.gz WWXZFKURDBWBQD-UDZFHETQSA-N 2 0 331.229 1.689 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418448466 446546076 /nfs/dbraw/zinc/54/60/76/446546076.db2.gz CMZMXNVACCEHAM-SJLPKXTDSA-N 2 0 330.476 1.887 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500514 446567915 /nfs/dbraw/zinc/56/79/15/446567915.db2.gz PXTGBBLDMJQCIH-AEFFLSMTSA-N 2 0 330.476 1.887 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000423477242 446551317 /nfs/dbraw/zinc/55/13/17/446551317.db2.gz RYJVGDQBTSQIEA-MRRJBJDNSA-N 2 0 337.489 1.819 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418467222 446555428 /nfs/dbraw/zinc/55/54/28/446555428.db2.gz ICXCGFQHFCSKPA-ZWKOTPCHSA-N 2 0 348.491 1.168 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418502216 446568928 /nfs/dbraw/zinc/56/89/28/446568928.db2.gz UESHOZQJRXMDLZ-GOSISDBHSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH2+]CCCN(C)CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000420393266 446569223 /nfs/dbraw/zinc/56/92/23/446569223.db2.gz XHIZVJQUGMNJTK-UHFFFAOYSA-N 2 0 346.519 1.571 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000433451187 446575165 /nfs/dbraw/zinc/57/51/65/446575165.db2.gz BIUFZSMEDCUBOA-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)NCCCC[NH3+])CC1)Cc1ccccc1 ZINC000418515049 446577036 /nfs/dbraw/zinc/57/70/36/446577036.db2.gz VANJBTPQMNJHOM-UHFFFAOYSA-N 2 0 347.507 1.185 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418529281 446581978 /nfs/dbraw/zinc/58/19/78/446581978.db2.gz SZKOMIGUQIYCJT-ICSRJNTNSA-N 2 0 342.487 1.904 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575883 446583542 /nfs/dbraw/zinc/58/35/42/446583542.db2.gz QNIWHGOKPWBAHU-HAGHYFMRSA-N 3 0 329.488 1.865 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)C1 ZINC000418543822 446587904 /nfs/dbraw/zinc/58/79/04/446587904.db2.gz BVTIPKNOUAMYME-QZTJIDSGSA-N 2 0 345.491 1.687 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418546928 446588303 /nfs/dbraw/zinc/58/83/03/446588303.db2.gz IEMPEGQRQZOHMS-KURKYZTESA-N 2 0 346.475 1.063 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C[C@H]1CC ZINC000418597793 446607886 /nfs/dbraw/zinc/60/78/86/446607886.db2.gz PXHHMGOCZGJPSM-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)(C)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420461767 446640952 /nfs/dbraw/zinc/64/09/52/446640952.db2.gz URDMBEQLNWBRCT-UHFFFAOYSA-N 2 0 327.494 1.672 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418669547 446643164 /nfs/dbraw/zinc/64/31/64/446643164.db2.gz JSRRBKCQGKHRDQ-BWTSREIZSA-N 2 0 342.487 1.554 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423721554 446659286 /nfs/dbraw/zinc/65/92/86/446659286.db2.gz ITODRZPRPMRKSA-KRWDZBQOSA-N 2 0 333.476 1.893 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418754913 446674691 /nfs/dbraw/zinc/67/46/91/446674691.db2.gz IBUYOJPLYMJXPJ-KBPBESRZSA-N 2 0 330.423 1.357 20 0 EDADRP CC(C)(C)[C@H]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C[C@H]1O ZINC000423879010 446738196 /nfs/dbraw/zinc/73/81/96/446738196.db2.gz RTAKSBMBTLUDEM-JKSUJKDBSA-N 2 0 325.497 1.445 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000418774724 446691867 /nfs/dbraw/zinc/69/18/67/446691867.db2.gz VVTXTTJFZIEXFN-KBPBESRZSA-N 2 0 348.438 1.126 20 0 EDADRP Cn1cncc1CNC(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000368196894 446702498 /nfs/dbraw/zinc/70/24/98/446702498.db2.gz YROALPCDPWDZSB-KRWDZBQOSA-N 2 0 341.459 1.926 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000411909594 446719927 /nfs/dbraw/zinc/71/99/27/446719927.db2.gz FZYGZKFLNKJNPG-WBVHZDCISA-N 2 0 344.459 1.384 20 0 EDADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)C1C[NH2+]C1 ZINC000423748214 446678336 /nfs/dbraw/zinc/67/83/36/446678336.db2.gz QHJCWPDGLWCZRZ-GFCCVEGCSA-N 2 0 325.403 1.711 20 0 EDADRP C[N@H+](CCN1CCN([C@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399670 446775190 /nfs/dbraw/zinc/77/51/90/446775190.db2.gz ACQAEOASXBHULK-FQEVSTJZSA-N 2 0 348.510 1.969 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423943863 446792144 /nfs/dbraw/zinc/79/21/44/446792144.db2.gz GWHWNISLGWYLRV-SFHVURJKSA-N 2 0 330.476 1.394 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424451252 446872660 /nfs/dbraw/zinc/87/26/60/446872660.db2.gz BAHDDMFDLNIAHV-AWEZNQCLSA-N 2 0 334.464 1.629 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC([NH2+]C(C)C)CC2)c1 ZINC000424455828 446874624 /nfs/dbraw/zinc/87/46/24/446874624.db2.gz ODFWNJSJBDYGOG-UHFFFAOYSA-N 2 0 332.448 1.381 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424458641 446876209 /nfs/dbraw/zinc/87/62/09/446876209.db2.gz UOILXCLOYZFUFJ-UKRRQHHQSA-N 2 0 346.475 1.629 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000454564616 446912374 /nfs/dbraw/zinc/91/23/74/446912374.db2.gz ZFVIYEPECFITBJ-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+]CCCN(C)C(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000419124407 446937461 /nfs/dbraw/zinc/93/74/61/446937461.db2.gz ICVSGWGLEBMOOX-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761905 446955954 /nfs/dbraw/zinc/95/59/54/446955954.db2.gz DGPSGJOIOWPKSK-OWCLPIDISA-N 2 0 348.466 1.532 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000371765770 446959448 /nfs/dbraw/zinc/95/94/48/446959448.db2.gz MTEOHZNLJNQKDD-SJLPKXTDSA-N 2 0 347.507 1.924 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)[C@H](C)C[NH3+] ZINC000419163974 446981369 /nfs/dbraw/zinc/98/13/69/446981369.db2.gz MGFSPCKXQSAQLF-WBVHZDCISA-N 2 0 348.491 1.065 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[N@H+](CCC[NH+](CC)CC)C[C@@H]3C2)no1 ZINC000377209864 446994404 /nfs/dbraw/zinc/99/44/04/446994404.db2.gz RBEGPILMBSBGLF-IYBDPMFKSA-N 2 0 335.496 1.728 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000372462407 447064809 /nfs/dbraw/zinc/06/48/09/447064809.db2.gz HNGIHMWDRGBXKT-FCEWJHQRSA-N 2 0 335.492 1.510 20 0 EDADRP CN1CCO[C@H]2CCN(C(=O)NCCCCC[NH+]3CCCC3)C[C@@H]21 ZINC000455035457 447032135 /nfs/dbraw/zinc/03/21/35/447032135.db2.gz OSHFZQCKBASCDE-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+](C)Cc2ccccc2)CC1 ZINC000444393312 447101295 /nfs/dbraw/zinc/10/12/95/447101295.db2.gz QDMPZJKREVKUGS-IAGOWNOFSA-N 2 0 347.503 1.811 20 0 EDADRP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377336327 447073453 /nfs/dbraw/zinc/07/34/53/447073453.db2.gz KEAGSRIGFXIXBR-DLBZAZTESA-N 2 0 337.489 1.119 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@@H](C)[C@@H]2C)C1 ZINC000419394524 447148487 /nfs/dbraw/zinc/14/84/87/447148487.db2.gz PHEFQPHWTIKHRS-VVLHAWIVSA-N 2 0 325.497 1.436 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)ccc2oc1=O ZINC000368813222 447126472 /nfs/dbraw/zinc/12/64/72/447126472.db2.gz DKZUIBQVJNPKFA-SCLBCKFNSA-N 2 0 344.415 1.094 20 0 EDADRP CN(C)c1ncc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1C ZINC000425363534 447128052 /nfs/dbraw/zinc/12/80/52/447128052.db2.gz WOLUHKNYGOTJJA-SFHVURJKSA-N 2 0 343.475 1.343 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[C@H](C)O1 ZINC000455449393 447132865 /nfs/dbraw/zinc/13/28/65/447132865.db2.gz SRYPPURCUFJXIG-DJSILETISA-N 2 0 338.496 1.410 20 0 EDADRP C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377512905 447174766 /nfs/dbraw/zinc/17/47/66/447174766.db2.gz QMXMXKIHTLGAJQ-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000419454016 447186423 /nfs/dbraw/zinc/18/64/23/447186423.db2.gz LEUOMUOQWZQSHY-TWMKSMIVSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH2+]CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000375976273 447186884 /nfs/dbraw/zinc/18/68/84/447186884.db2.gz TZMUVZRQAAZPLD-INIZCTEOSA-N 2 0 332.448 1.401 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000377536796 447188828 /nfs/dbraw/zinc/18/88/28/447188828.db2.gz WYZSGTNYQUEABA-SJORKVTESA-N 2 0 347.459 1.295 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419480203 447212044 /nfs/dbraw/zinc/21/20/44/447212044.db2.gz WBFJZAMEMJEZLM-BRWVUGGUSA-N 2 0 340.512 1.061 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000446376967 447250743 /nfs/dbraw/zinc/25/07/43/447250743.db2.gz OECUADYPZVAOBU-DDUZABMNSA-N 2 0 341.415 1.738 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000377624701 447253310 /nfs/dbraw/zinc/25/33/10/447253310.db2.gz GUGPOAKCKFIYNQ-OAHLLOKOSA-N 2 0 329.485 1.944 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+](C)C ZINC000413789070 447242408 /nfs/dbraw/zinc/24/24/08/447242408.db2.gz VIFWPCIQAFIDAL-QZTJIDSGSA-N 2 0 348.491 1.384 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369043807 447283583 /nfs/dbraw/zinc/28/35/83/447283583.db2.gz FLJGKPQKLKDDSU-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP CCCN1C[C@H](C[NH2+][C@H]2CC[N@H+](CCCOCC)C[C@H]2C)CC1=O ZINC000421886443 447268719 /nfs/dbraw/zinc/26/87/19/447268719.db2.gz RWKRBLYQEBFLKM-SQNIBIBYSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)ccc1C[NH+](C)C ZINC000415530124 447498938 /nfs/dbraw/zinc/49/89/38/447498938.db2.gz UCEPNLMZWOIRMU-UONOGXRCSA-N 2 0 332.448 1.191 20 0 EDADRP COCCN1CCC([NH2+][C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000495482513 447509091 /nfs/dbraw/zinc/50/90/91/447509091.db2.gz VZODDWPZGIAKBU-GJZGRUSLSA-N 2 0 327.469 1.554 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000392329752 447522589 /nfs/dbraw/zinc/52/25/89/447522589.db2.gz AJMRFBSEEFLVPY-ZBFHGGJFSA-N 2 0 332.448 1.170 20 0 EDADRP C[C@@H]([NH2+]CC(=O)Nc1ccc2c(c1)OCCO2)C1CC[NH+](C)CC1 ZINC000396469934 447544588 /nfs/dbraw/zinc/54/45/88/447544588.db2.gz WIJOJDIZTQEZJF-CYBMUJFWSA-N 2 0 333.432 1.716 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000420011473 447544595 /nfs/dbraw/zinc/54/45/95/447544595.db2.gz GVBJAIBNPLMNBS-HZPDHXFCSA-N 2 0 340.512 1.201 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000420020525 447550031 /nfs/dbraw/zinc/55/00/31/447550031.db2.gz FRBPKKOXYZYBTM-BFYDXBDKSA-N 2 0 348.491 1.332 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404269976 447598481 /nfs/dbraw/zinc/59/84/81/447598481.db2.gz KDKAFUXQIFWPAN-DFGXFYAUSA-N 2 0 333.476 1.860 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404391228 447600031 /nfs/dbraw/zinc/60/00/31/447600031.db2.gz PNGJVZSRGXMXKR-NTDBWNAOSA-N 2 0 345.487 1.875 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420117682 447613020 /nfs/dbraw/zinc/61/30/20/447613020.db2.gz HYCOCDGCCZRPGL-WMLDXEAASA-N 2 0 346.475 1.265 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459243906 447620697 /nfs/dbraw/zinc/62/06/97/447620697.db2.gz AIPGPPSLANAPPI-KRWDZBQOSA-N 2 0 347.507 1.887 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000416870608 447700859 /nfs/dbraw/zinc/70/08/59/447700859.db2.gz OGXFAYBFXPSUNR-JKSUJKDBSA-N 2 0 326.485 1.114 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416903638 447702500 /nfs/dbraw/zinc/70/25/00/447702500.db2.gz CNJJWOPDFBOCJM-QAPCUYQASA-N 2 0 348.491 1.987 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000416889467 447702866 /nfs/dbraw/zinc/70/28/66/447702866.db2.gz KSJJRPMYMXJKHQ-QGZVFWFLSA-N 2 0 334.464 1.316 20 0 EDADRP Cc1cc(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ncn1 ZINC000428213717 447685189 /nfs/dbraw/zinc/68/51/89/447685189.db2.gz VMMIUVXTPUPBAB-UHFFFAOYSA-N 2 0 347.507 1.701 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@H](CC[NH3+])C2)C[C@@H](C)O1 ZINC000416940337 447717420 /nfs/dbraw/zinc/71/74/20/447717420.db2.gz IPBPJHXBICGMMS-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000496397663 447763801 /nfs/dbraw/zinc/76/38/01/447763801.db2.gz HPQIHHXEWGQBKN-UHFFFAOYSA-N 2 0 340.512 1.658 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416944673 447719443 /nfs/dbraw/zinc/71/94/43/447719443.db2.gz DIPLXXSMCDSBMP-RDJZCZTQSA-N 2 0 340.512 1.422 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000422698583 447719685 /nfs/dbraw/zinc/71/96/85/447719685.db2.gz ZZGDLAMWOWVDHV-ROUUACIJSA-N 2 0 333.476 1.912 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000416950077 447723935 /nfs/dbraw/zinc/72/39/35/447723935.db2.gz HQGCYKZWHAAABC-DLBZAZTESA-N 2 0 340.512 1.565 20 0 EDADRP CC[C@@H](C(=O)NCCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000422713754 447725668 /nfs/dbraw/zinc/72/56/68/447725668.db2.gz HUZYSTZZWHZTOP-SFHVURJKSA-N 2 0 332.492 1.309 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422715824 447725767 /nfs/dbraw/zinc/72/57/67/447725767.db2.gz MTTNYHKFQZQWFS-MSOLQXFVSA-N 3 0 346.523 1.486 20 0 EDADRP C[NH2+]CCCNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417014998 447729590 /nfs/dbraw/zinc/72/95/90/447729590.db2.gz GCRNBWWSOVYDNX-GOSISDBHSA-N 2 0 347.507 1.274 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH+]1CCC2CC1 ZINC000496186509 447736968 /nfs/dbraw/zinc/73/69/68/447736968.db2.gz CUOXMJYIMAXJES-HHXXYDBFSA-N 2 0 349.475 1.752 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422754139 447739688 /nfs/dbraw/zinc/73/96/88/447739688.db2.gz ACHJRJIOLSPPIZ-YSIASYRMSA-N 3 0 346.519 1.146 20 0 EDADRP C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422914449 447771486 /nfs/dbraw/zinc/77/14/86/447771486.db2.gz UGQLCYOQTDTZHG-MAUKXSAKSA-N 2 0 332.492 1.598 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000458337849 447772580 /nfs/dbraw/zinc/77/25/80/447772580.db2.gz REMQSLKPYPFXJR-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CN[C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000422931752 447775280 /nfs/dbraw/zinc/77/52/80/447775280.db2.gz CSZGVRNCULDPMU-CHWSQXEVSA-N 2 0 345.534 1.866 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)COCC(F)(F)F)CC[NH2+]CC1 ZINC000422942730 447776702 /nfs/dbraw/zinc/77/67/02/447776702.db2.gz JSHZVHXMNMJSLW-NEPJUHHUSA-N 2 0 340.386 1.865 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH2+]CC1)COc1ccccc1Br ZINC000422941461 447777061 /nfs/dbraw/zinc/77/70/61/447777061.db2.gz OOUUENZBEZLILZ-LBPRGKRZSA-N 2 0 329.238 1.530 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422950217 447778572 /nfs/dbraw/zinc/77/85/72/447778572.db2.gz XLWNTANWSZUECU-HUUCEWRRSA-N 2 0 339.505 1.803 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047843 447796973 /nfs/dbraw/zinc/79/69/73/447796973.db2.gz HHAMXIKNHUIPOE-YUTCNCBUSA-N 2 0 347.381 1.907 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000462012151 447797938 /nfs/dbraw/zinc/79/79/38/447797938.db2.gz SUOOXTIEZXAFMT-IXDOHACOSA-N 2 0 342.528 1.593 20 0 EDADRP CC(C)OCC[C@@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000530413942 447880917 /nfs/dbraw/zinc/88/09/17/447880917.db2.gz UFGKPQPFRPCOLQ-QZTJIDSGSA-N 2 0 327.513 1.263 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572006 447917727 /nfs/dbraw/zinc/91/77/27/447917727.db2.gz NOQRDDIBVPUVQB-XLIONFOSSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000569957130 447927334 /nfs/dbraw/zinc/92/73/34/447927334.db2.gz MFXLYVQWZGLAMO-BFYDXBDKSA-N 2 0 334.464 1.163 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)CC3CC[NH2+]CC3)cc2)CC1 ZINC000575919566 447928336 /nfs/dbraw/zinc/92/83/36/447928336.db2.gz OTLNUSOMHIWKSH-UHFFFAOYSA-N 2 0 330.476 1.762 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000569976932 447930487 /nfs/dbraw/zinc/93/04/87/447930487.db2.gz CGEQSJYRFQPTIS-QGZVFWFLSA-N 2 0 330.476 1.940 20 0 EDADRP Cc1cc(Cl)ccc1OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530641974 447932513 /nfs/dbraw/zinc/93/25/13/447932513.db2.gz AGRTZPYKAURUQF-UHFFFAOYSA-N 2 0 341.883 1.979 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000576224903 448004010 /nfs/dbraw/zinc/00/40/10/448004010.db2.gz JQWKSMSQZJNORL-UHFFFAOYSA-N 2 0 334.464 1.134 20 0 EDADRP Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC(=O)N1C1CC1 ZINC000570583122 448033722 /nfs/dbraw/zinc/03/37/22/448033722.db2.gz VLBBPQJSYYKRLZ-YRWGSWDYSA-N 2 0 331.464 1.474 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297372 448056981 /nfs/dbraw/zinc/05/69/81/448056981.db2.gz PRSAHMPWEDYRNK-VQIMIIECSA-N 2 0 331.460 1.081 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccccc1OC(F)F ZINC000531358025 448069416 /nfs/dbraw/zinc/06/94/16/448069416.db2.gz XHVVZANOTSALAY-UHFFFAOYSA-N 2 0 343.418 1.782 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000531484978 448092438 /nfs/dbraw/zinc/09/24/38/448092438.db2.gz MLGIQDGYNMMSPP-HLLBOEOZSA-N 2 0 338.496 1.004 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000571059450 448103542 /nfs/dbraw/zinc/10/35/42/448103542.db2.gz GEMGIBOXFZLIKO-MRXNPFEDSA-N 2 0 346.475 1.665 20 0 EDADRP CN1CCC[C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000576791274 448139538 /nfs/dbraw/zinc/13/95/38/448139538.db2.gz UOXUHHCKIUGLBI-AEFFLSMTSA-N 2 0 332.492 1.156 20 0 EDADRP COc1ccncc1NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000527077492 448152728 /nfs/dbraw/zinc/15/27/28/448152728.db2.gz QDLNNXFDXIPAKY-UHFFFAOYSA-N 2 0 348.447 1.608 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[NH+]1CCCC1 ZINC000527072295 448153128 /nfs/dbraw/zinc/15/31/28/448153128.db2.gz PFZZMGLTAZFGAU-HNNXBMFYSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000514606230 448172018 /nfs/dbraw/zinc/17/20/18/448172018.db2.gz VGSZWFGYVKBITI-JTDSTZFVSA-N 2 0 345.487 1.879 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000571644873 448186161 /nfs/dbraw/zinc/18/61/61/448186161.db2.gz VBEHEOYJKNILSH-UGSOOPFHSA-N 2 0 347.507 1.956 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571679575 448189670 /nfs/dbraw/zinc/18/96/70/448189670.db2.gz NGBVGIMDJBHYFS-LSDHHAIUSA-N 2 0 338.402 1.407 20 0 EDADRP COc1ccc2[nH]c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2c1 ZINC000527313226 448208175 /nfs/dbraw/zinc/20/81/75/448208175.db2.gz CDVUBJDRGNXQPM-UHFFFAOYSA-N 2 0 332.448 1.742 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000514850957 448214276 /nfs/dbraw/zinc/21/42/76/448214276.db2.gz QEVQOXILXLEWJV-RBUKOAKNSA-N 2 0 345.487 1.830 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532230536 448218709 /nfs/dbraw/zinc/21/87/09/448218709.db2.gz DBMBXERWOQYGOG-HUUCEWRRSA-N 2 0 330.476 1.858 20 0 EDADRP CS[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH+]1CCCC1 ZINC000582555426 448274130 /nfs/dbraw/zinc/27/41/30/448274130.db2.gz MYEUBHZTEYNPSN-CABCVRRESA-N 2 0 325.522 1.757 20 0 EDADRP COc1cccc([C@H](C)N2CC[NH+](CCN3CC[NH2+]CC3)CC2)c1 ZINC000572124283 448295396 /nfs/dbraw/zinc/29/53/96/448295396.db2.gz PDZVNCMLQXQZHY-KRWDZBQOSA-N 2 0 332.492 1.279 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000582653887 448300558 /nfs/dbraw/zinc/30/05/58/448300558.db2.gz DFUKQUSJOYANLE-UHFFFAOYSA-N 3 0 335.496 1.753 20 0 EDADRP Cc1cncn1CC(=O)N[C@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000527718776 448345017 /nfs/dbraw/zinc/34/50/17/448345017.db2.gz UHPNCPDJWSAYKL-GOSISDBHSA-N 2 0 342.443 1.690 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(CO)CCCCC2)CC[NH2+]CC1 ZINC000591568669 448394257 /nfs/dbraw/zinc/39/42/57/448394257.db2.gz XLPFFMQWDHADLD-OAHLLOKOSA-N 2 0 326.481 1.840 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCc3sc(Cl)cc32)CC1 ZINC000577842948 448399069 /nfs/dbraw/zinc/39/90/69/448399069.db2.gz PFUVHXVBNMCXSD-DGCLKSJQSA-N 2 0 329.897 1.587 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000583013526 448402423 /nfs/dbraw/zinc/40/24/23/448402423.db2.gz WPSYNXWYLRMTIF-FQEVSTJZSA-N 2 0 342.487 1.830 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000577856636 448405048 /nfs/dbraw/zinc/40/50/48/448405048.db2.gz FDQZRAPKLNWQPW-OAQYLSRUSA-N 3 0 342.531 1.933 20 0 EDADRP COc1cccc(C[C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000566246386 448428329 /nfs/dbraw/zinc/42/83/29/448428329.db2.gz MWQRUVCRXCCYGI-QGZVFWFLSA-N 2 0 331.460 1.524 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000566296940 448437435 /nfs/dbraw/zinc/43/74/35/448437435.db2.gz AEXFXQRITOEQQG-MRXNPFEDSA-N 2 0 326.529 1.545 20 0 EDADRP CN1CCN(C(=O)NCc2cccc(-c3ccccn3)c2)[C@H](C[NH3+])C1 ZINC000572705410 448441673 /nfs/dbraw/zinc/44/16/73/448441673.db2.gz GBDWKFRXJIEJAZ-QGZVFWFLSA-N 2 0 339.443 1.533 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000572715277 448444685 /nfs/dbraw/zinc/44/46/85/448444685.db2.gz ANKMQDKGFPDOFA-INIZCTEOSA-N 2 0 347.463 1.154 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCc2ccc(C[NH3+])cc2)c1 ZINC000516867168 448486496 /nfs/dbraw/zinc/48/64/96/448486496.db2.gz LRDOAJDUFRNCJA-UHFFFAOYSA-N 2 0 340.427 1.462 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000572825049 448472591 /nfs/dbraw/zinc/47/25/91/448472591.db2.gz JZYRVEOMFBWFEA-RDJZCZTQSA-N 2 0 346.475 1.370 20 0 EDADRP CN1CCN(C(=O)NCCc2cc(Cl)cc(Cl)c2)[C@H](C[NH3+])C1 ZINC000516916050 448495877 /nfs/dbraw/zinc/49/58/77/448495877.db2.gz NDJHXDAHTACTBV-CQSZACIVSA-N 2 0 345.274 1.820 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000584400209 448511801 /nfs/dbraw/zinc/51/18/01/448511801.db2.gz JTBHZEMZFUDDLJ-QZTJIDSGSA-N 2 0 344.459 1.588 20 0 EDADRP CO[C@H](c1ccc(F)cc1)[C@H](C)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000584405357 448512888 /nfs/dbraw/zinc/51/28/88/448512888.db2.gz BGZFZABUTHKIJG-WBAXXEDZSA-N 2 0 339.455 1.100 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000572977033 448513357 /nfs/dbraw/zinc/51/33/57/448513357.db2.gz YMHWLQGUAHYYNP-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000578333462 448519291 /nfs/dbraw/zinc/51/92/91/448519291.db2.gz RPFNOIDASNMHAN-HRCADAONSA-N 2 0 326.485 1.031 20 0 EDADRP c1ccc(-c2n[nH]c(C3CC[NH+](CCN4CC[NH2+]CC4)CC3)n2)cc1 ZINC000517236665 448559788 /nfs/dbraw/zinc/55/97/88/448559788.db2.gz DLIMQZGWZVHZTO-UHFFFAOYSA-N 2 0 340.475 1.556 20 0 EDADRP OCCN1CCCC[C@H]1C[NH2+]C[C@@H](O)COc1ccccc1F ZINC000573206477 448568866 /nfs/dbraw/zinc/56/88/66/448568866.db2.gz AYDFNLASTZTIPR-LSDHHAIUSA-N 2 0 326.412 1.002 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)CCCCCC1 ZINC000584579684 448575867 /nfs/dbraw/zinc/57/58/67/448575867.db2.gz BJDGEYRTEWZHFR-ZDUSSCGKSA-N 2 0 332.439 1.937 20 0 EDADRP c1c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000573120310 448549646 /nfs/dbraw/zinc/54/96/46/448549646.db2.gz LVHMZSBSDNAOKA-IAGOWNOFSA-N 2 0 326.448 1.543 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCc2nc[nH]c2C1)c1ccsc1 ZINC000573414172 448618265 /nfs/dbraw/zinc/61/82/65/448618265.db2.gz BLZFCBCGVYGMLW-SWLSCSKDSA-N 2 0 333.461 1.931 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000584769627 448624150 /nfs/dbraw/zinc/62/41/50/448624150.db2.gz VLHGVJGVRQMVEX-ZWKOTPCHSA-N 2 0 346.475 1.420 20 0 EDADRP [NH3+]C[C@@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CC12CCOCC2 ZINC000584840362 448651889 /nfs/dbraw/zinc/65/18/89/448651889.db2.gz ZYHFDOSNAZYIEU-NVXWUHKLSA-N 2 0 329.444 1.627 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000567276564 448656422 /nfs/dbraw/zinc/65/64/22/448656422.db2.gz NMPOGQQTNBTSOD-GJZGRUSLSA-N 2 0 337.468 1.284 20 0 EDADRP CC(C)n1nccc1NC(=O)[C@@H](C)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276671 448656619 /nfs/dbraw/zinc/65/66/19/448656619.db2.gz QYMPAXNABPGERY-HUUCEWRRSA-N 2 0 349.479 1.478 20 0 EDADRP Cc1cc(NC(=O)COC2CC[NH2+]CC2)n(C2CC[NH+](C)CC2)n1 ZINC000578872331 448658577 /nfs/dbraw/zinc/65/85/77/448658577.db2.gz WEMDQLUUVSBVBG-UHFFFAOYSA-N 2 0 335.452 1.165 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)nc1 ZINC000518759366 448706215 /nfs/dbraw/zinc/70/62/15/448706215.db2.gz QVBNUWSNJWRXCB-MRXNPFEDSA-N 2 0 346.475 1.809 20 0 EDADRP Cn1[nH]c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1=O ZINC000541582160 448681377 /nfs/dbraw/zinc/68/13/77/448681377.db2.gz LCIAKPYNYALCTC-UHFFFAOYSA-N 2 0 330.436 1.242 20 0 EDADRP COc1cccc([C@@H](CNC[C@H](O)C[N@H+](C)C2CC2)[NH+]2CCCC2)c1 ZINC000567679698 448735698 /nfs/dbraw/zinc/73/56/98/448735698.db2.gz CPJSUHNLLQWOHU-AZUAARDMSA-N 2 0 347.503 1.877 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCc1ccc(N2CCCC2)nc1 ZINC000529284642 448807305 /nfs/dbraw/zinc/80/73/05/448807305.db2.gz GBIAWHPTZVQDBP-INIZCTEOSA-N 2 0 331.464 1.821 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000519584545 448790887 /nfs/dbraw/zinc/79/08/87/448790887.db2.gz MJAPKIKSOOKCDW-ICSRJNTNSA-N 2 0 345.487 1.565 20 0 EDADRP C[N@H+](CCN1CC[NH+](CC[C@@H]2CCNC2=O)CC1)Cc1ccccc1 ZINC000568169155 448828089 /nfs/dbraw/zinc/82/80/89/448828089.db2.gz CTJGOBURLPHPBD-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3[NH2+]CCCC3(C)C)n2)CC1 ZINC000579810573 448881599 /nfs/dbraw/zinc/88/15/99/448881599.db2.gz WDSSCAYHMCKQDJ-OAHLLOKOSA-N 2 0 348.495 2.050 20 0 EDADRP COCC[NH2+]CC(=O)Nc1nc(CN2CCCCCC2)cs1 ZINC000520577987 448911821 /nfs/dbraw/zinc/91/18/21/448911821.db2.gz NLVHJCZRPFGSFZ-UHFFFAOYSA-N 2 0 326.466 1.694 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]CCC(=O)Nc3cccnc3)CC2)CC1 ZINC000579943866 448915518 /nfs/dbraw/zinc/91/55/18/448915518.db2.gz VNGNQBRWTHBMNB-UHFFFAOYSA-N 2 0 345.491 1.558 20 0 EDADRP CC1CC[NH+](CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000574783863 448956632 /nfs/dbraw/zinc/95/66/32/448956632.db2.gz YMXYMGUPQNDBJN-HNNXBMFYSA-N 2 0 331.464 1.751 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc4[nH]cnc4c3)ccn2)CC1 ZINC000520950779 448941006 /nfs/dbraw/zinc/94/10/06/448941006.db2.gz GRYORTJYGGORQU-UHFFFAOYSA-N 2 0 336.443 2.000 20 0 EDADRP O=C(NCc1ccccc1-n1ccnc1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522305334 449075189 /nfs/dbraw/zinc/07/51/89/449075189.db2.gz GCELKRXOFQNMCS-HNNXBMFYSA-N 2 0 325.416 1.908 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000604631129 449265769 /nfs/dbraw/zinc/26/57/69/449265769.db2.gz IOGWOCWBIWOUPV-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)CCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000590845186 449318007 /nfs/dbraw/zinc/31/80/07/449318007.db2.gz DDXZEEPJGNTFEU-SFHVURJKSA-N 2 0 332.492 1.802 20 0 EDADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000595951938 449277280 /nfs/dbraw/zinc/27/72/80/449277280.db2.gz VWAKLLJFSPOYKK-RDJZCZTQSA-N 2 0 345.443 1.042 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000611696495 449386184 /nfs/dbraw/zinc/38/61/84/449386184.db2.gz QWVKYDWCWRYWGN-GOSISDBHSA-N 2 0 345.487 1.439 20 0 EDADRP CC1CC[NH+](CC(=O)NCC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000617112291 449463692 /nfs/dbraw/zinc/46/36/92/449463692.db2.gz WFTZKMMYQQZRGS-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H](NC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000606633195 449493978 /nfs/dbraw/zinc/49/39/78/449493978.db2.gz JOWWIMHMZRATOX-OAHLLOKOSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602466618 449612127 /nfs/dbraw/zinc/61/21/27/449612127.db2.gz JPKWXFGUPLJYDF-PEBXRYMYSA-N 2 0 331.526 1.114 20 0 EDADRP COC(=O)c1csc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000602544063 449665476 /nfs/dbraw/zinc/66/54/76/449665476.db2.gz IMZLDBLOIZBLEK-UHFFFAOYSA-N 2 0 339.505 1.898 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000602506646 449637583 /nfs/dbraw/zinc/63/75/83/449637583.db2.gz FOULCVSVAPOKIZ-OAHLLOKOSA-N 2 0 327.469 1.141 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@H](C)C3CC[NH+](C)CC3)C2)nc1 ZINC000612421349 449693546 /nfs/dbraw/zinc/69/35/46/449693546.db2.gz SYTDPOJASQGPSM-CQSZACIVSA-N 2 0 346.475 1.767 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)CC[N@@H+]1C ZINC000617696820 449740599 /nfs/dbraw/zinc/74/05/99/449740599.db2.gz OZTPEXSYXKSQHG-FHLIZLRMSA-N 2 0 331.460 1.210 20 0 EDADRP CC(C)(C)OC(=O)[C@@](C)(O)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000597085314 449803730 /nfs/dbraw/zinc/80/37/30/449803730.db2.gz CUGQVNSIYOHFHG-KRWDZBQOSA-N 2 0 332.404 1.450 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133430 449962955 /nfs/dbraw/zinc/96/29/55/449962955.db2.gz CNCOCXNRNLCIHB-OAHLLOKOSA-N 2 0 340.512 1.909 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612975357 449966160 /nfs/dbraw/zinc/96/61/60/449966160.db2.gz FIUQJUZTTVXKQY-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@@H]1CCCO1 ZINC000613005118 449979742 /nfs/dbraw/zinc/97/97/42/449979742.db2.gz KMHPHJKMFWHTPP-BBCBXFPWSA-N 2 0 349.519 1.961 20 0 EDADRP COC(=O)CCN1CC[C@H]([NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1=O ZINC000595309361 450021640 /nfs/dbraw/zinc/02/16/40/450021640.db2.gz RPOMRFCDXZQZQA-INIZCTEOSA-N 2 0 339.480 1.203 20 0 EDADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000615308924 450056765 /nfs/dbraw/zinc/05/67/65/450056765.db2.gz OWEKTFHTZSPRSN-QFBILLFUSA-N 2 0 344.503 1.599 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(OC(C)(C)C)n1 ZINC000625286513 450274143 /nfs/dbraw/zinc/27/41/43/450274143.db2.gz HRGLDCXEIXJCGG-UHFFFAOYSA-N 2 0 336.480 1.824 20 0 EDADRP Cn1cc(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425009 450353193 /nfs/dbraw/zinc/35/31/93/450353193.db2.gz ZLWHQGGXAWZKAU-LJQANCHMSA-N 2 0 325.460 1.956 20 0 EDADRP [NH3+]C1(CNC(=O)Nc2nncs2)CC[NH+](Cc2ccccc2)CC1 ZINC000623068814 450389933 /nfs/dbraw/zinc/38/99/33/450389933.db2.gz LQOCCLIQOPUATG-UHFFFAOYSA-N 2 0 346.460 1.653 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000623342468 450501117 /nfs/dbraw/zinc/50/11/17/450501117.db2.gz BIQHXRBHLPHLOD-CQSZACIVSA-N 2 0 336.480 1.704 20 0 EDADRP CC1CC[NH+](CC(=O)N2CC3(CCCC3)OC[C@@H]2C[NH+](C)C)CC1 ZINC000620909341 450559721 /nfs/dbraw/zinc/55/97/21/450559721.db2.gz HEXWTEDPPBKZPK-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)CC1(C)C ZINC000623783309 450583517 /nfs/dbraw/zinc/58/35/17/450583517.db2.gz JFHYCRYJZSJYBW-MSOLQXFVSA-N 2 0 332.492 1.745 20 0 EDADRP C[C@H](NCC(=O)N1CCN(C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000623878577 450622946 /nfs/dbraw/zinc/62/29/46/450622946.db2.gz LKHKICNIXXWLNS-HNNXBMFYSA-N 2 0 341.459 1.512 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1 ZINC000623887096 450624746 /nfs/dbraw/zinc/62/47/46/450624746.db2.gz UKSOZXPKTIJFFT-MSOLQXFVSA-N 2 0 347.507 1.926 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000633030987 450626322 /nfs/dbraw/zinc/62/63/22/450626322.db2.gz BQEYFRZOZZNXEV-CALCHBBNSA-N 2 0 344.459 1.430 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631576578 450663201 /nfs/dbraw/zinc/66/32/01/450663201.db2.gz BRXMUWDHPNJJES-QZWWFDLISA-N 2 0 335.492 1.511 20 0 EDADRP C[N@H+](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)CC(C)(C)C ZINC000635183978 450728484 /nfs/dbraw/zinc/72/84/84/450728484.db2.gz WXEFPSZCRVGEPH-UHFFFAOYSA-N 2 0 333.480 1.750 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000631669805 450703913 /nfs/dbraw/zinc/70/39/13/450703913.db2.gz NWEMXKCWQXEXMU-UHFFFAOYSA-N 2 0 349.523 1.933 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629542494 450729219 /nfs/dbraw/zinc/72/92/19/450729219.db2.gz ZGRCROAHQDHPOQ-CYBMUJFWSA-N 2 0 329.466 1.464 20 0 EDADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629523441 450724843 /nfs/dbraw/zinc/72/48/43/450724843.db2.gz GOMSZOIGAYTNMW-KRWDZBQOSA-N 2 0 329.448 1.815 20 0 EDADRP [NH3+]C[C@H]1CN(Cc2nc3c(s2)C[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000629653995 450772532 /nfs/dbraw/zinc/77/25/32/450772532.db2.gz KZFAQMJCHOZQSU-UWVGGRQHSA-N 2 0 334.411 1.748 20 0 EDADRP C[N@H+](CCOCC[NH3+])Cc1cnc2ccc(Br)cn12 ZINC000629663074 450774676 /nfs/dbraw/zinc/77/46/76/450774676.db2.gz JOBIDXXUHWOJJK-UHFFFAOYSA-N 2 0 327.226 1.504 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)c2)CC1 ZINC000621699360 450840686 /nfs/dbraw/zinc/84/06/86/450840686.db2.gz TUMPIFJTPCOUPM-QUCCMNQESA-N 2 0 342.487 1.387 20 0 EDADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000635299480 450825881 /nfs/dbraw/zinc/82/58/81/450825881.db2.gz GILJXWQWVGSENA-HOTGVXAUSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000631861341 450831559 /nfs/dbraw/zinc/83/15/59/450831559.db2.gz ZJJBFQSYLBVATJ-ZBFHGGJFSA-N 2 0 348.516 1.595 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000631827116 450799241 /nfs/dbraw/zinc/79/92/41/450799241.db2.gz FRZYXNKYZYDXHY-SOLBZPMBSA-N 2 0 345.487 1.940 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(C(F)F)o1 ZINC000631897753 450857766 /nfs/dbraw/zinc/85/77/66/450857766.db2.gz NSPWXBVOQZIFIY-UHFFFAOYSA-N 2 0 339.408 1.331 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000631908709 450867289 /nfs/dbraw/zinc/86/72/89/450867289.db2.gz XTEUTKIQJGNDMH-HOTGVXAUSA-N 2 0 329.510 1.266 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)C1CCC1 ZINC000629948477 450908984 /nfs/dbraw/zinc/90/89/84/450908984.db2.gz IRAXTXREFOHROP-UHFFFAOYSA-N 2 0 344.503 1.535 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](C)C1 ZINC000629961294 450919225 /nfs/dbraw/zinc/91/92/25/450919225.db2.gz KTCLRWMGWULISV-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCC3)nc2)C1 ZINC000629974778 450929172 /nfs/dbraw/zinc/92/91/72/450929172.db2.gz NBOBJOVVNBDDRO-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC[N@@H+]1C ZINC000632010711 450964314 /nfs/dbraw/zinc/96/43/14/450964314.db2.gz DIJIWWAYWVCRHT-YESZJQIVSA-N 2 0 345.491 1.891 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000626923046 451006627 /nfs/dbraw/zinc/00/66/27/451006627.db2.gz KHCZALYLULWDKU-AAEUAGOBSA-N 2 0 336.402 1.639 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000626923054 451006654 /nfs/dbraw/zinc/00/66/54/451006654.db2.gz KHCZALYLULWDKU-WCQYABFASA-N 2 0 336.402 1.639 20 0 EDADRP [NH3+]CC1(NC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000626934269 451016437 /nfs/dbraw/zinc/01/64/37/451016437.db2.gz CZTRYMLDMYKDFD-QGZVFWFLSA-N 2 0 346.475 1.631 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626935106 451017640 /nfs/dbraw/zinc/01/76/40/451017640.db2.gz XLNWZCFLESHECW-RWQQGDIJSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000626941596 451021349 /nfs/dbraw/zinc/02/13/49/451021349.db2.gz CCJDJKWOTULJPW-RHSMWYFYSA-N 2 0 331.464 1.486 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccc(F)cc1 ZINC000626943258 451022211 /nfs/dbraw/zinc/02/22/11/451022211.db2.gz HZYDRYNTZKRAIS-OAHLLOKOSA-N 2 0 338.427 1.236 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000626948861 451027775 /nfs/dbraw/zinc/02/77/75/451027775.db2.gz CLNVCTPQRZSCLN-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000626964904 451038209 /nfs/dbraw/zinc/03/82/09/451038209.db2.gz LLAYAVIIDMLDFD-WCQYABFASA-N 2 0 336.402 1.639 20 0 EDADRP CCN(CC[NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000626971541 451042076 /nfs/dbraw/zinc/04/20/76/451042076.db2.gz LEZAQOUHTBEPKY-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626994645 451061419 /nfs/dbraw/zinc/06/14/19/451061419.db2.gz HCWKXQPEUCZGNH-UHFFFAOYSA-N 2 0 328.501 1.361 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000626996867 451063503 /nfs/dbraw/zinc/06/35/03/451063503.db2.gz HGIVZZXXKBGCAU-UHXUPSOCSA-N 2 0 348.413 1.780 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000635570776 451069112 /nfs/dbraw/zinc/06/91/12/451069112.db2.gz LXKZRYKXFARWIX-KRWDZBQOSA-N 2 0 334.508 1.101 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1([NH3+])CCOCC1)CCC(F)(F)F ZINC000627019759 451084182 /nfs/dbraw/zinc/08/41/82/451084182.db2.gz OPAWAKCQAUTBIV-UHFFFAOYSA-N 2 0 340.390 1.068 20 0 EDADRP CCN(CC[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000627115260 451131605 /nfs/dbraw/zinc/13/16/05/451131605.db2.gz ROJVGGCRODRGNH-UKRRQHHQSA-N 2 0 338.427 1.270 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212343 451190060 /nfs/dbraw/zinc/19/00/60/451190060.db2.gz MEWOVVPTBDJXLN-IRXDYDNUSA-N 2 0 340.512 1.648 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000638085481 451249372 /nfs/dbraw/zinc/24/93/72/451249372.db2.gz LPJCURBTJYZGBP-MJGOQNOKSA-N 2 0 331.460 1.627 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085384 451250134 /nfs/dbraw/zinc/25/01/34/451250134.db2.gz KKCXCSNLUIOIIZ-AOIWGVFYSA-N 2 0 337.508 1.855 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000638099614 451264981 /nfs/dbraw/zinc/26/49/81/451264981.db2.gz HXODXZDRMDCVTQ-QOKNQOGYSA-N 2 0 333.476 1.999 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638110333 451278326 /nfs/dbraw/zinc/27/83/26/451278326.db2.gz DKXLYYPLLXNZGE-GOSISDBHSA-N 2 0 333.476 1.803 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638110821 451278729 /nfs/dbraw/zinc/27/87/29/451278729.db2.gz IRRRSZFFHUHJRK-AZUAARDMSA-N 2 0 345.487 1.722 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638113391 451280775 /nfs/dbraw/zinc/28/07/75/451280775.db2.gz SQYAIEMXHVQMHG-NRSFXHEJSA-N 2 0 331.460 1.614 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638126332 451297257 /nfs/dbraw/zinc/29/72/57/451297257.db2.gz TXOBEJYKYWCQAM-SJLPKXTDSA-N 2 0 333.476 1.755 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635871599 451318739 /nfs/dbraw/zinc/31/87/39/451318739.db2.gz GHUVWLCCWQURKX-HNNXBMFYSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@H+]1C ZINC000640444914 451321742 /nfs/dbraw/zinc/32/17/42/451321742.db2.gz OHPAPSFBXBLTQG-KGLIPLIRSA-N 2 0 334.468 1.706 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638147990 451321836 /nfs/dbraw/zinc/32/18/36/451321836.db2.gz YZDLNCLZVYQYOO-WMZOPIPTSA-N 3 0 344.503 1.566 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N(CC[NH3+])Cc1ccccc1 ZINC000638172320 451335141 /nfs/dbraw/zinc/33/51/41/451335141.db2.gz ZCQSDEGVPKFINK-LJQANCHMSA-N 2 0 340.471 1.433 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000638203190 451353714 /nfs/dbraw/zinc/35/37/14/451353714.db2.gz SHGCQMLMDQDBKI-GDLCADMTSA-N 2 0 327.350 1.916 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1cnn(CC[NH+](C)C)c1)[NH+]1CCC(C)CC1 ZINC000630731443 451367851 /nfs/dbraw/zinc/36/78/51/451367851.db2.gz HKXJKYUHTYNWNO-GOSISDBHSA-N 2 0 349.523 1.931 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265496 451386792 /nfs/dbraw/zinc/38/67/92/451386792.db2.gz COSVQEVXXYXNEK-UONOGXRCSA-N 2 0 329.366 1.904 20 0 EDADRP CCc1c[nH]c(CC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)n1 ZINC000635970483 451405785 /nfs/dbraw/zinc/40/57/85/451405785.db2.gz FVNWZPLIECYOIT-XYPWUTKMSA-N 2 0 334.464 1.615 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000638292661 451409813 /nfs/dbraw/zinc/40/98/13/451409813.db2.gz XLYGFNWXUBYXFN-MJGOQNOKSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cnn(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC000630804624 451411566 /nfs/dbraw/zinc/41/15/66/451411566.db2.gz SWSILLHOOKFWJR-CRAIPNDOSA-N 2 0 335.496 1.685 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000640574737 451419068 /nfs/dbraw/zinc/41/90/68/451419068.db2.gz HNERPDIGQMISBA-OAHLLOKOSA-N 2 0 335.452 1.112 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Cc3cccc4c3CC[NH2+]C4)CC[C@@H]21 ZINC000638307449 451421495 /nfs/dbraw/zinc/42/14/95/451421495.db2.gz FAFRJIHBRWCLIL-HKUYNNGSSA-N 2 0 327.472 1.818 20 0 EDADRP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)CC1(O)CCOCC1 ZINC000634699519 451472419 /nfs/dbraw/zinc/47/24/19/451472419.db2.gz KRIPFXNJZWKVNP-IBGZPJMESA-N 2 0 348.487 1.665 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000638399576 451487883 /nfs/dbraw/zinc/48/78/83/451487883.db2.gz IXIVCZDDIAGBBD-RCCFBDPRSA-N 2 0 331.460 1.698 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)cn1 ZINC000638402697 451490441 /nfs/dbraw/zinc/49/04/41/451490441.db2.gz OHLFGZLCRSUXIQ-MRXNPFEDSA-N 2 0 333.480 1.297 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000636026765 451447452 /nfs/dbraw/zinc/44/74/52/451447452.db2.gz RGVOCNLPZJWVII-SFHVURJKSA-N 2 0 345.487 1.472 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cn2)CC1 ZINC000636789671 451510700 /nfs/dbraw/zinc/51/07/00/451510700.db2.gz IVLXMVLWXLNLBL-ZDUSSCGKSA-N 2 0 332.452 1.508 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)ccn2)CC1 ZINC000634762150 451533091 /nfs/dbraw/zinc/53/30/91/451533091.db2.gz QMZBVVFQBQXZJM-INIZCTEOSA-N 2 0 345.491 1.341 20 0 EDADRP CCN(CC[NH3+])C(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000638513936 451553909 /nfs/dbraw/zinc/55/39/09/451553909.db2.gz YCKVFTLUKZSZCQ-IBGZPJMESA-N 2 0 341.455 1.943 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH+]3CC[C@@H](O)C3)cc2)C1 ZINC000636171067 451561029 /nfs/dbraw/zinc/56/10/29/451561029.db2.gz FCNZATBNNAJGHV-QZTJIDSGSA-N 2 0 331.460 1.211 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631063273 451562898 /nfs/dbraw/zinc/56/28/98/451562898.db2.gz JSRURZDHNHPKLA-OAHLLOKOSA-N 2 0 340.537 1.695 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000638556297 451574846 /nfs/dbraw/zinc/57/48/46/451574846.db2.gz JTKSCCLVTPZIKI-IGQOVBAYSA-N 2 0 333.398 1.608 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000638556937 451574923 /nfs/dbraw/zinc/57/49/23/451574923.db2.gz NKEQWRJKNLTLIQ-UHFFFAOYSA-N 2 0 339.524 1.456 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000629176166 451581895 /nfs/dbraw/zinc/58/18/95/451581895.db2.gz QXDOQIUVZZLORZ-QGZVFWFLSA-N 2 0 349.475 1.204 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638594093 451595327 /nfs/dbraw/zinc/59/53/27/451595327.db2.gz JDQNVDVZWGIQSV-CYBMUJFWSA-N 2 0 333.354 1.400 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638601619 451599023 /nfs/dbraw/zinc/59/90/23/451599023.db2.gz GEHRTRRWHCTILZ-QGZVFWFLSA-N 2 0 331.460 1.790 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000638601927 451599036 /nfs/dbraw/zinc/59/90/36/451599036.db2.gz JCQMFFFWJUXAAL-QGZVFWFLSA-N 2 0 331.460 1.442 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1ccc(Cl)c(Cl)c1 ZINC000638664731 451639201 /nfs/dbraw/zinc/63/92/01/451639201.db2.gz URCAQFUHVKHKJX-KGLIPLIRSA-N 2 0 346.258 1.701 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000638676653 451646917 /nfs/dbraw/zinc/64/69/17/451646917.db2.gz ZOECYDAYVCZOSE-MRXNPFEDSA-N 2 0 337.439 1.471 20 0 EDADRP C[NH+](C)CC1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)CC1 ZINC000638775461 451686427 /nfs/dbraw/zinc/68/64/27/451686427.db2.gz HDCLULIXBQRCOF-UHFFFAOYSA-N 2 0 345.553 1.947 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785143 451691215 /nfs/dbraw/zinc/69/12/15/451691215.db2.gz LWRRQJPWPWCBGU-SFHVURJKSA-N 2 0 345.487 1.679 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000638880297 451718088 /nfs/dbraw/zinc/71/80/88/451718088.db2.gz OMRKBIUWQBEVBP-KRWDZBQOSA-N 2 0 333.476 1.421 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000638811438 451698990 /nfs/dbraw/zinc/69/89/90/451698990.db2.gz VAFRRGZUXGKWQH-CABCVRRESA-N 2 0 331.464 1.693 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000638901979 451725970 /nfs/dbraw/zinc/72/59/70/451725970.db2.gz NAFKYLSAJXVXKM-QGZVFWFLSA-N 2 0 337.464 1.553 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000638914133 451734535 /nfs/dbraw/zinc/73/45/35/451734535.db2.gz MQLWMEBPUDONHZ-WMZOPIPTSA-N 2 0 328.460 1.403 20 0 EDADRP C[N@H+](CC(C)(C)N1CCOCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000639173198 451785072 /nfs/dbraw/zinc/78/50/72/451785072.db2.gz WJTDWKKGLCSDMK-SFHVURJKSA-N 2 0 338.540 1.198 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000639186053 451787971 /nfs/dbraw/zinc/78/79/71/451787971.db2.gz XWXZPYUJQYZWCQ-WBVHZDCISA-N 2 0 348.491 1.949 20 0 EDADRP O=S(=O)(CCn1ccnc1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000641257682 451796094 /nfs/dbraw/zinc/79/60/94/451796094.db2.gz XQAKHYOJWGAXOD-KRWDZBQOSA-N 2 0 348.472 1.640 20 0 EDADRP O=S(=O)(CCn1ccnc1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000641257683 451796155 /nfs/dbraw/zinc/79/61/55/451796155.db2.gz XQAKHYOJWGAXOD-QGZVFWFLSA-N 2 0 348.472 1.640 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000644523974 451840252 /nfs/dbraw/zinc/84/02/52/451840252.db2.gz DYJAXUKHEGODRQ-OKZBNKHCSA-N 2 0 332.444 1.845 20 0 EDADRP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1C ZINC000644529106 451843536 /nfs/dbraw/zinc/84/35/36/451843536.db2.gz YXCBFKBZZJNLAA-SFHVURJKSA-N 2 0 344.503 1.791 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646807704 451854438 /nfs/dbraw/zinc/85/44/38/451854438.db2.gz PXITZKPNEFKRJG-RTBURBONSA-N 2 0 344.503 1.228 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000644561848 451863541 /nfs/dbraw/zinc/86/35/41/451863541.db2.gz GUARPATXXCJKGK-QGZVFWFLSA-N 2 0 348.466 1.912 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000644563071 451864449 /nfs/dbraw/zinc/86/44/49/451864449.db2.gz LAGPLQGIRXROPJ-YJBOKZPZSA-N 2 0 336.476 1.893 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000649132785 451866013 /nfs/dbraw/zinc/86/60/13/451866013.db2.gz NZXPZCFQLOSVHI-UHFFFAOYSA-N 2 0 331.460 1.685 20 0 EDADRP CCOc1ccc(C[C@@H](C)C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000644665526 451927825 /nfs/dbraw/zinc/92/78/25/451927825.db2.gz CKHLGDHYRIGFGJ-IEBWSBKVSA-N 2 0 349.519 1.462 20 0 EDADRP Fc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000649253093 451932867 /nfs/dbraw/zinc/93/28/67/451932867.db2.gz IJUZLWDLZOBATK-CADBVGFASA-N 2 0 344.478 1.128 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649281966 451954622 /nfs/dbraw/zinc/95/46/22/451954622.db2.gz YWEGRBZGDSEWDO-ZDUSSCGKSA-N 2 0 341.406 1.723 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[NH+]1CCCCC1 ZINC000649291871 451967543 /nfs/dbraw/zinc/96/75/43/451967543.db2.gz XFWCPVGPVGCMQV-NTDBWNAOSA-N 2 0 343.471 1.804 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[NH2+]CCOC1)c1ccsc1 ZINC000649292368 451967819 /nfs/dbraw/zinc/96/78/19/451967819.db2.gz BPBQJEHPOOJWKQ-LSDHHAIUSA-N 2 0 325.478 1.483 20 0 EDADRP CC[C@@H](CNC(=O)COC1(C)C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000649292976 451969189 /nfs/dbraw/zinc/96/91/89/451969189.db2.gz RLZPROYAAFNRSX-KRWDZBQOSA-N 2 0 331.460 1.318 20 0 EDADRP COC[C@@]1(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000649295559 451970628 /nfs/dbraw/zinc/97/06/28/451970628.db2.gz ZUXMAKRYJCUUPF-SOLBZPMBSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649294856 451971592 /nfs/dbraw/zinc/97/15/92/451971592.db2.gz KBILSYWCRMDXJK-HZPDHXFCSA-N 2 0 338.496 1.097 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000649307963 451985154 /nfs/dbraw/zinc/98/51/54/451985154.db2.gz ZWCSBRQQZBGWOP-LJQANCHMSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649307355 451985207 /nfs/dbraw/zinc/98/52/07/451985207.db2.gz KNDWYQITGLVSEJ-KBPBESRZSA-N 2 0 334.468 1.053 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000649319139 451997268 /nfs/dbraw/zinc/99/72/68/451997268.db2.gz KGQDQPBQIGWPSJ-IIDMSEBBSA-N 2 0 341.415 1.738 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@](C)(O)CC[NH+](C)C)CC1 ZINC000642948530 451997626 /nfs/dbraw/zinc/99/76/26/451997626.db2.gz MAKKGGAUKIDRQR-LJQANCHMSA-N 2 0 348.491 1.425 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CCC[NH2+]1 ZINC000649338872 452019734 /nfs/dbraw/zinc/01/97/34/452019734.db2.gz HNPHJFCICHORDT-LJQANCHMSA-N 2 0 344.459 1.910 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2(COC)CC[NH2+]CC2)o1 ZINC000647037502 452020233 /nfs/dbraw/zinc/02/02/33/452020233.db2.gz HLKSVSNANWWOOT-UHFFFAOYSA-N 2 0 337.464 1.867 20 0 EDADRP C[C@@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000649342151 452022648 /nfs/dbraw/zinc/02/26/48/452022648.db2.gz PFKPDUUGGIUVLC-ZIAGYGMSSA-N 2 0 345.434 1.381 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000649345593 452027198 /nfs/dbraw/zinc/02/71/98/452027198.db2.gz GPIPGRXSDWIROD-BZUAXINKSA-N 2 0 346.479 1.292 20 0 EDADRP CC(C)N1CC[NH+](C2CCN([C@@H](C)c3nccc(N)n3)CC2)CC1 ZINC000653594480 452031103 /nfs/dbraw/zinc/03/11/03/452031103.db2.gz VJUJROILNDYUNE-HNNXBMFYSA-N 2 0 332.496 1.441 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000649350099 452034138 /nfs/dbraw/zinc/03/41/38/452034138.db2.gz FCCUYRIXBKPRHT-MOPGFXCFSA-N 2 0 344.503 1.425 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CCC(C)(C)[NH3+])[C@H](c2ccccc2)C1 ZINC000649351078 452035630 /nfs/dbraw/zinc/03/56/30/452035630.db2.gz JCPDYHNUIJVXMK-SFHVURJKSA-N 2 0 346.519 1.999 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000649372563 452048127 /nfs/dbraw/zinc/04/81/27/452048127.db2.gz CLFPPHGCEJJHIX-MRXNPFEDSA-N 2 0 335.492 1.812 20 0 EDADRP CCC[C@H]1CN(C(=O)C[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000649379195 452051974 /nfs/dbraw/zinc/05/19/74/452051974.db2.gz QXGSCQAKNKWVHJ-IRXDYDNUSA-N 2 0 325.497 1.726 20 0 EDADRP c1nc2c(c(N3CCOCC3)n1)C[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000649412059 452075572 /nfs/dbraw/zinc/07/55/72/452075572.db2.gz GNVTYSKHGCWJNX-OAHLLOKOSA-N 2 0 331.464 1.061 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NCCOc3ccc(F)cc3)C2)CC1 ZINC000639758981 452098145 /nfs/dbraw/zinc/09/81/45/452098145.db2.gz ZCPSPVHLDQOFRG-UHFFFAOYSA-N 2 0 349.450 1.738 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000637841731 452111559 /nfs/dbraw/zinc/11/15/59/452111559.db2.gz MDAUZTNYADSCIB-LJQANCHMSA-N 2 0 338.455 1.730 20 0 EDADRP OC[C@@H]1CCCCC[NH+]1CCOCC[N@H+]1CCCCC[C@H]1CO ZINC000653783863 452114134 /nfs/dbraw/zinc/11/41/34/452114134.db2.gz VOVVZRMNKDKSRL-ROUUACIJSA-N 2 0 328.497 1.477 20 0 EDADRP CCc1nn(C)cc1C[N@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000643295917 452121929 /nfs/dbraw/zinc/12/19/29/452121929.db2.gz UJJGTXSBMFGXII-UHFFFAOYSA-N 2 0 333.524 1.975 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)[NH+]2CCCC2)c1 ZINC000645157217 452182514 /nfs/dbraw/zinc/18/25/14/452182514.db2.gz NQRILBYWGQTAAI-IRXDYDNUSA-N 2 0 331.460 1.946 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641717930 452215973 /nfs/dbraw/zinc/21/59/73/452215973.db2.gz RYZYYXJLDFRQBN-UHFFFAOYSA-N 2 0 331.464 1.632 20 0 EDADRP COc1c(Br)cccc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492756 452235711 /nfs/dbraw/zinc/23/57/11/452235711.db2.gz XFQZMTQICHKSBC-UHFFFAOYSA-N 2 0 342.281 1.795 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000647508539 452244941 /nfs/dbraw/zinc/24/49/41/452244941.db2.gz QMQIAZDBTDFXNG-QFBILLFUSA-N 2 0 333.476 1.709 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)[C@@H]1CCC[NH2+]1 ZINC000647509561 452245653 /nfs/dbraw/zinc/24/56/53/452245653.db2.gz OYNKGDHJSDHAPW-WBVHZDCISA-N 2 0 341.459 1.415 20 0 EDADRP CS(=O)(=O)C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657463738 452263375 /nfs/dbraw/zinc/26/33/75/452263375.db2.gz PICLICZLLSOQJT-UHFFFAOYSA-N 2 0 334.445 1.714 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659426704 452268187 /nfs/dbraw/zinc/26/81/87/452268187.db2.gz AZHJJBDXMYQWNR-XOYHFGRZSA-N 2 0 334.489 1.936 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000643500417 452268422 /nfs/dbraw/zinc/26/84/22/452268422.db2.gz GXBGCQYEYZIASD-JTQLQIEISA-N 2 0 344.228 1.671 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000659431061 452277684 /nfs/dbraw/zinc/27/76/84/452277684.db2.gz HNJNHPAAHICLSG-UHFFFAOYSA-N 2 0 342.487 1.826 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659436825 452284792 /nfs/dbraw/zinc/28/47/92/452284792.db2.gz ZOHQSRCKBPBVJO-KRWDZBQOSA-N 2 0 347.507 1.101 20 0 EDADRP COc1ccccc1CCNC(=O)CN1[C@@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809878 452291513 /nfs/dbraw/zinc/29/15/13/452291513.db2.gz SZWIJDDIYOAOSY-VYDXJSESSA-N 2 0 333.476 1.802 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659455837 452308446 /nfs/dbraw/zinc/30/84/46/452308446.db2.gz FFJROPWIAXYAJG-KBAYOESNSA-N 2 0 328.460 1.668 20 0 EDADRP COc1ccc([C@@H](CNC(=O)CCC2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000638048257 452314088 /nfs/dbraw/zinc/31/40/88/452314088.db2.gz CJKKDSYDUHAIOD-GOSISDBHSA-N 2 0 331.460 1.948 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652134979 452329778 /nfs/dbraw/zinc/32/97/78/452329778.db2.gz BPMWORYZPUAYEC-BZUAXINKSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)C[NH2+]CCO1 ZINC000638052890 452332177 /nfs/dbraw/zinc/33/21/77/452332177.db2.gz CCPHFRNURICUTL-LJQANCHMSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652141239 452334303 /nfs/dbraw/zinc/33/43/03/452334303.db2.gz JVJMJOALTGWFJB-FXUDXRNXSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000657574508 452342667 /nfs/dbraw/zinc/34/26/67/452342667.db2.gz XBKKWTPBMODYCC-AWEZNQCLSA-N 2 0 338.462 1.875 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000638059486 452347724 /nfs/dbraw/zinc/34/77/24/452347724.db2.gz MJDLVIJXRZZLQS-SFHVURJKSA-N 2 0 331.460 1.652 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC2CC[NH+](CC(C)C)CC2)c1 ZINC000638059971 452353165 /nfs/dbraw/zinc/35/31/65/452353165.db2.gz JIUDLUCYHNXIQR-SFHVURJKSA-N 2 0 333.476 1.802 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000638062893 452357285 /nfs/dbraw/zinc/35/72/85/452357285.db2.gz JRPRLERODANCPN-ZRGWGRIASA-N 2 0 343.471 1.960 20 0 EDADRP Cc1ncc(CC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)o1 ZINC000640021482 452358304 /nfs/dbraw/zinc/35/83/04/452358304.db2.gz FLXQRVOACVAZGL-XYPWUTKMSA-N 2 0 332.448 1.295 20 0 EDADRP COC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCCC[NH2+]1 ZINC000638066196 452369475 /nfs/dbraw/zinc/36/94/75/452369475.db2.gz FOWUONGOZYCMGQ-AEFFLSMTSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2C[C@H]2c2cncn2C)C[C@@H](C)O1 ZINC000665790168 452370574 /nfs/dbraw/zinc/37/05/74/452370574.db2.gz WKCCJOFEPFIFAJ-KBUPBQIOSA-N 2 0 334.464 1.528 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)NC[C@@H]1CCCC[NH2+]1 ZINC000659509361 452372882 /nfs/dbraw/zinc/37/28/82/452372882.db2.gz ZBJQMSNVIBHZSX-ZWKOTPCHSA-N 2 0 346.475 1.195 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659513533 452377175 /nfs/dbraw/zinc/37/71/75/452377175.db2.gz ISOIZPRJOGZOPF-MRXNPFEDSA-N 2 0 345.491 1.592 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659516659 452379849 /nfs/dbraw/zinc/37/98/49/452379849.db2.gz IVNARYMBIGDGNV-DLBZAZTESA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663640074 452383172 /nfs/dbraw/zinc/38/31/72/452383172.db2.gz BJOOKQVOQOOWKU-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638079140 452392022 /nfs/dbraw/zinc/39/20/22/452392022.db2.gz AZYKCAGMDHTPIA-AZUAARDMSA-N 2 0 345.487 1.770 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N[C@@H]1CCC[NH2+]CC1 ZINC000659534361 452394491 /nfs/dbraw/zinc/39/44/91/452394491.db2.gz CBRUVZBXQAIYOM-IKGGRYGDSA-N 2 0 334.439 1.713 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C1CCCC1 ZINC000659539226 452398016 /nfs/dbraw/zinc/39/80/16/452398016.db2.gz CENIZHDTOKVEFI-FGTMMUONSA-N 2 0 330.476 1.949 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654347332 452398545 /nfs/dbraw/zinc/39/85/45/452398545.db2.gz ZBDZZBAFLHNXLT-HRCADAONSA-N 2 0 328.501 1.515 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659553640 452409415 /nfs/dbraw/zinc/40/94/15/452409415.db2.gz BSNAQJVIBVLZKY-XMTFNYHQSA-N 2 0 334.508 1.796 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000659567690 452424266 /nfs/dbraw/zinc/42/42/66/452424266.db2.gz YAGFAJSBXVFGAF-UHFFFAOYSA-N 2 0 345.491 1.864 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654377619 452429989 /nfs/dbraw/zinc/42/99/89/452429989.db2.gz QTUHYJSQKWWCBB-SJORKVTESA-N 2 0 338.496 1.415 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581596 452436770 /nfs/dbraw/zinc/43/67/70/452436770.db2.gz OOBVGSZLDQDWNV-IXPVHAAZSA-N 2 0 326.391 1.447 20 0 EDADRP CN(C(=O)NCC12CC(C1)C[NH2+]2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000659613431 452470904 /nfs/dbraw/zinc/47/09/04/452470904.db2.gz GJNFZFXVLOKUQK-UHFFFAOYSA-N 2 0 348.413 1.797 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659620316 452478780 /nfs/dbraw/zinc/47/87/80/452478780.db2.gz KMNCXKCNYUPVRA-CQSZACIVSA-N 2 0 335.452 1.295 20 0 EDADRP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000663763026 452491732 /nfs/dbraw/zinc/49/17/32/452491732.db2.gz FUJFUWJJIISLQW-GEEKYZPCSA-N 2 0 332.496 1.534 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NCC1CC[NH+](CC3CC3)CC1)C2 ZINC000659640654 452504588 /nfs/dbraw/zinc/50/45/88/452504588.db2.gz IBOIHXHTDUERDQ-HKUYNNGSSA-N 2 0 334.508 1.879 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)COCC[NH3+])C1 ZINC000645541360 452510637 /nfs/dbraw/zinc/51/06/37/452510637.db2.gz ACXFHBFHDHTNRF-HZPDHXFCSA-N 2 0 333.476 1.756 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000647787859 452522796 /nfs/dbraw/zinc/52/27/96/452522796.db2.gz AGTLNTWYSGYQSD-KZNAEPCWSA-N 3 0 329.492 1.311 20 0 EDADRP COCCC[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655707748 452526817 /nfs/dbraw/zinc/52/68/17/452526817.db2.gz CAORRWJLTNOYNW-SFHVURJKSA-N 2 0 325.497 1.330 20 0 EDADRP COCCC[NH+]1CCC(NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655709251 452526903 /nfs/dbraw/zinc/52/69/03/452526903.db2.gz ZYYCSBZUMNPFJS-IBGZPJMESA-N 2 0 339.524 1.720 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352684 452530199 /nfs/dbraw/zinc/53/01/99/452530199.db2.gz MYWHQAGYDJYHIG-NSHGMRRFSA-N 2 0 344.503 1.466 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[NH+]1CCC(CC[NH3+])CC1 ZINC000652359640 452539702 /nfs/dbraw/zinc/53/97/02/452539702.db2.gz NODDUPCEMRJOPE-QGZVFWFLSA-N 2 0 344.503 1.785 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655734035 452546885 /nfs/dbraw/zinc/54/68/85/452546885.db2.gz XVNDQRJEJNCDRQ-GBESFXJTSA-N 2 0 337.508 1.207 20 0 EDADRP CC(C)(C)n1ncc2c1nc(N[C@H]1CCn3ccnc3C1)nc2N ZINC000663821039 452547492 /nfs/dbraw/zinc/54/74/92/452547492.db2.gz UJASIGSEQDPHMV-JTQLQIEISA-N 2 0 326.408 1.787 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659681078 452553121 /nfs/dbraw/zinc/55/31/21/452553121.db2.gz PBXHVNJCZATRKP-OKILXGFUSA-N 2 0 340.512 1.055 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000659681320 452554332 /nfs/dbraw/zinc/55/43/32/452554332.db2.gz ZQDLJGGQNLCPPO-DAYGRLMNSA-N 2 0 340.512 1.103 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000663831462 452557890 /nfs/dbraw/zinc/55/78/90/452557890.db2.gz UBYPHXDWTYBHNE-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[NH+]1CCCCCC1 ZINC000659685874 452560976 /nfs/dbraw/zinc/56/09/76/452560976.db2.gz UXHVYYABQSGPDO-HNNXBMFYSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655803835 452587581 /nfs/dbraw/zinc/58/75/81/452587581.db2.gz DSNOUJORGFHWJU-KFWWJZLASA-N 2 0 329.444 1.991 20 0 EDADRP Cc1ccc(NC(=O)N(C)CC2C[NH+](C)C2)c(OCC[NH+](C)C)c1 ZINC000666139054 452635275 /nfs/dbraw/zinc/63/52/75/452635275.db2.gz DKGCIILBCAOFOE-UHFFFAOYSA-N 2 0 334.464 1.961 20 0 EDADRP CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000661861098 452637859 /nfs/dbraw/zinc/63/78/59/452637859.db2.gz MNZRPTOETNKOIH-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904259 452645583 /nfs/dbraw/zinc/64/55/83/452645583.db2.gz ZZCIKHJRLPQJQN-LSDHHAIUSA-N 2 0 334.464 1.315 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C2 ZINC000647909420 452649934 /nfs/dbraw/zinc/64/99/34/452649934.db2.gz MCQRQZUPXNEMJV-MRXNPFEDSA-N 2 0 334.460 1.824 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1 ZINC000655912592 452670927 /nfs/dbraw/zinc/67/09/27/452670927.db2.gz WLHXCUHBZXLMGI-ZDUSSCGKSA-N 2 0 348.369 1.316 20 0 EDADRP C[N@H+](C[C@H]1CNc2ccnn2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648035219 452771998 /nfs/dbraw/zinc/77/19/98/452771998.db2.gz WYXWCFKBBIWBCT-WBVHZDCISA-N 2 0 332.496 1.025 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654659835 452775717 /nfs/dbraw/zinc/77/57/17/452775717.db2.gz LRJTWCBINCUPCX-WOVMCDHWSA-N 2 0 333.480 1.495 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000652644710 452802227 /nfs/dbraw/zinc/80/22/27/452802227.db2.gz HFYMITJFXVZTBN-UHFFFAOYSA-N 2 0 344.459 1.215 20 0 EDADRP COCC1(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000654691653 452814683 /nfs/dbraw/zinc/81/46/83/452814683.db2.gz SRRFWWZNUZFTDK-MRXNPFEDSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000654732968 452855349 /nfs/dbraw/zinc/85/53/49/452855349.db2.gz KSDGLRGNRKWHAJ-IBGZPJMESA-N 2 0 347.503 1.974 20 0 EDADRP CC1(C)CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@H]23)CC[N@@H+]1CCO ZINC000654734985 452860176 /nfs/dbraw/zinc/86/01/76/452860176.db2.gz ODNIYQFSRWSEBE-JKSUJKDBSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@H]23)C[C@H](C)[N@H+]1CCO ZINC000654738791 452870720 /nfs/dbraw/zinc/87/07/20/452870720.db2.gz RCPSVVCWCCTUFZ-YYIAUSFCSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H]1SCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000645910462 452894604 /nfs/dbraw/zinc/89/46/04/452894604.db2.gz OTIPZXGTFUUARK-CABCVRRESA-N 2 0 330.542 1.795 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NCC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662174428 452911549 /nfs/dbraw/zinc/91/15/49/452911549.db2.gz ALGSCIBXORFSTP-UHFFFAOYSA-N 2 0 326.529 1.685 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645966740 452950575 /nfs/dbraw/zinc/95/05/75/452950575.db2.gz ZMPRJDXGCZXDCR-QGZVFWFLSA-N 2 0 331.460 1.775 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccsc1 ZINC000662254221 452982529 /nfs/dbraw/zinc/98/25/29/452982529.db2.gz OPVNCLHZYVZAIQ-HNNXBMFYSA-N 2 0 335.473 1.463 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662291086 453014284 /nfs/dbraw/zinc/01/42/84/453014284.db2.gz OSCZRPFMQCHIMK-DOTOQJQBSA-N 2 0 325.497 1.629 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)C2=O)cn1 ZINC000662292565 453015068 /nfs/dbraw/zinc/01/50/68/453015068.db2.gz OCUZTWPXOAVMAO-WMZOPIPTSA-N 2 0 345.491 1.627 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000666682975 453062731 /nfs/dbraw/zinc/06/27/31/453062731.db2.gz OLCCKNJMDVCXCZ-HUUCEWRRSA-N 2 0 331.464 1.639 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)CC[NH2+]1 ZINC000666686187 453064653 /nfs/dbraw/zinc/06/46/53/453064653.db2.gz GCJGMQDOOWOLDT-LSDHHAIUSA-N 2 0 345.443 1.561 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)c1cccn1C1CC[NH2+]CC1 ZINC000646061106 453074533 /nfs/dbraw/zinc/07/45/33/453074533.db2.gz CGVZPONFVVAPDT-UHFFFAOYSA-N 2 0 347.507 1.122 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCC(C)CC1 ZINC000666714998 453090835 /nfs/dbraw/zinc/09/08/35/453090835.db2.gz DECGGYWBPBGDKV-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2cn(CC[NH3+])nn2)c1 ZINC000662388987 453098918 /nfs/dbraw/zinc/09/89/18/453098918.db2.gz BCMYDHLJECXBOG-UHFFFAOYSA-N 2 0 330.436 1.009 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662394582 453104013 /nfs/dbraw/zinc/10/40/13/453104013.db2.gz JAVGQSMEFDSSMH-CYBMUJFWSA-N 2 0 331.441 1.832 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662418073 453127053 /nfs/dbraw/zinc/12/70/53/453127053.db2.gz MEMJIWVXWGHJLV-INIZCTEOSA-N 2 0 340.431 1.491 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000656365654 453140622 /nfs/dbraw/zinc/14/06/22/453140622.db2.gz PVKVZFHBYJTXSZ-DLBZAZTESA-N 2 0 343.431 1.075 20 0 EDADRP CN1CCN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)[C@@H](C[NH3+])C1 ZINC000666778823 453141320 /nfs/dbraw/zinc/14/13/20/453141320.db2.gz FXAPYOJEEOWKPU-RDJZCZTQSA-N 2 0 348.447 1.351 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC2)c1 ZINC000662446293 453153355 /nfs/dbraw/zinc/15/33/55/453153355.db2.gz LPAYACPMPTWJCP-HNNXBMFYSA-N 2 0 334.464 1.750 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CC[NH2+]C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662467937 453179146 /nfs/dbraw/zinc/17/91/46/453179146.db2.gz HUFRPQZEKVWHAJ-AWEZNQCLSA-N 2 0 331.464 1.577 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662485420 453200726 /nfs/dbraw/zinc/20/07/26/453200726.db2.gz HBJDWDNBKOZJIU-CABCVRRESA-N 2 0 331.464 1.291 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662485727 453202820 /nfs/dbraw/zinc/20/28/20/453202820.db2.gz IWPJIIIFNFREPP-MRXNPFEDSA-N 2 0 331.460 1.863 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662493039 453209848 /nfs/dbraw/zinc/20/98/48/453209848.db2.gz XBWDEAMOYQLQLL-MRXNPFEDSA-N 2 0 347.507 1.975 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000646264234 453268961 /nfs/dbraw/zinc/26/89/61/453268961.db2.gz MTDCJYLNUSGYFO-OQIJWPOYSA-N 2 0 345.487 1.780 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)[C@@H](N)c1ccccc1Br ZINC000662550090 453278970 /nfs/dbraw/zinc/27/89/70/453278970.db2.gz ZXQHHFOYAXUJDP-NRUUGDAUSA-N 2 0 326.238 1.645 20 0 EDADRP CN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666972953 453287783 /nfs/dbraw/zinc/28/77/83/453287783.db2.gz LSXSXOUNYJGQTE-SJORKVTESA-N 2 0 336.480 1.118 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653107281 453290249 /nfs/dbraw/zinc/29/02/49/453290249.db2.gz CLKCJTJSQPRMKJ-KXBFYZLASA-N 2 0 347.459 1.582 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653109072 453294340 /nfs/dbraw/zinc/29/43/40/453294340.db2.gz RGWNHIKCGSQMIL-HKUYNNGSSA-N 2 0 331.460 1.379 20 0 EDADRP [NH3+]C1(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000662577621 453304505 /nfs/dbraw/zinc/30/45/05/453304505.db2.gz AQLYDFPTLMAJNH-ZVOHSCJNSA-N 2 0 343.475 1.370 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653119618 453309130 /nfs/dbraw/zinc/30/91/30/453309130.db2.gz PTOVBBAXCKNIHG-NZSAHSFTSA-N 2 0 346.519 1.777 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000653120845 453310246 /nfs/dbraw/zinc/31/02/46/453310246.db2.gz CJEIPSFRIFPKNP-MRXNPFEDSA-N 2 0 331.464 1.420 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)C1(C)C ZINC000662592798 453319088 /nfs/dbraw/zinc/31/90/88/453319088.db2.gz KIKGOIYSLCOAHU-LBTNJELSSA-N 2 0 325.497 1.756 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592630 453319192 /nfs/dbraw/zinc/31/91/92/453319192.db2.gz ZYTMYFWFYJRWKP-OAHLLOKOSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662593938 453320994 /nfs/dbraw/zinc/32/09/94/453320994.db2.gz MDLHHINDRUUKIS-WMZOPIPTSA-N 2 0 345.491 1.659 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593678 453321550 /nfs/dbraw/zinc/32/15/50/453321550.db2.gz QAPVQYDXQIKJBX-BKEDOTJMSA-N 2 0 337.508 1.756 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)C1 ZINC000662593684 453321708 /nfs/dbraw/zinc/32/17/08/453321708.db2.gz QAPVQYDXQIKJBX-MMMWYMCRSA-N 2 0 337.508 1.756 20 0 EDADRP CN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648851195 453328729 /nfs/dbraw/zinc/32/87/29/453328729.db2.gz LHQHJWYKYCSRMP-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP [NH3+]CC1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCC1 ZINC000662637491 453351095 /nfs/dbraw/zinc/35/10/95/453351095.db2.gz ITXAOFHAWUWEGY-UHFFFAOYSA-N 2 0 330.476 1.929 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638189 453353138 /nfs/dbraw/zinc/35/31/38/453353138.db2.gz NNNFQPNOUZUGKH-AWEZNQCLSA-N 2 0 326.391 1.392 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638190 453353600 /nfs/dbraw/zinc/35/36/00/453353600.db2.gz NNNFQPNOUZUGKH-CQSZACIVSA-N 2 0 326.391 1.392 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653185102 453375447 /nfs/dbraw/zinc/37/54/47/453375447.db2.gz WKXAUOUPHJLLMS-ONIAQPFYSA-N 2 0 331.460 1.740 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)C3([NH3+])Cc4ccccc4C3)C2)C1 ZINC000653190473 453380196 /nfs/dbraw/zinc/38/01/96/453380196.db2.gz KMLCNBDLOGMPLC-KURKYZTESA-N 2 0 343.471 1.228 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CC[NH2+]CC1 ZINC000653190992 453380464 /nfs/dbraw/zinc/38/04/64/453380464.db2.gz QMDNESFIMIYPBC-BZZMCLGOSA-N 2 0 337.508 1.757 20 0 EDADRP CCN(C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@@H]1CC[N@H+](CC)C1 ZINC000664758949 453383628 /nfs/dbraw/zinc/38/36/28/453383628.db2.gz RBYWKRRPASZXDD-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)C1 ZINC000653192918 453384390 /nfs/dbraw/zinc/38/43/90/453384390.db2.gz YTBLXQQFYPHYJO-ZDRBWGSPSA-N 2 0 335.492 1.652 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@@H](N)CC[NH+](C)C ZINC000653202611 453396957 /nfs/dbraw/zinc/39/69/57/453396957.db2.gz PDRKKGJDKPRMQI-BMFAXAFESA-N 2 0 346.519 1.775 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000662679160 453398625 /nfs/dbraw/zinc/39/86/25/453398625.db2.gz KYUOSQYRQTWGBC-BZUAXINKSA-N 2 0 348.495 1.585 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(-c2ccccn2)nc1 ZINC000651263783 453406899 /nfs/dbraw/zinc/40/68/99/453406899.db2.gz JEHJEWJCJXNLRK-UHFFFAOYSA-N 2 0 341.459 1.709 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCCC1(C[NH3+])CC1)c1ccc(Br)cc1 ZINC000653220955 453409725 /nfs/dbraw/zinc/40/97/25/453409725.db2.gz AKGWDGZYKCRVBE-AWEZNQCLSA-N 2 0 340.265 1.868 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C[NH+]1CCCC1 ZINC000662689591 453410056 /nfs/dbraw/zinc/41/00/56/453410056.db2.gz WRAWNGQHBBRPNX-CABCVRRESA-N 2 0 334.468 1.054 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000662697390 453417534 /nfs/dbraw/zinc/41/75/34/453417534.db2.gz GDULQCITXBLWFA-OAHLLOKOSA-N 2 0 332.448 1.842 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662699451 453420305 /nfs/dbraw/zinc/42/03/05/453420305.db2.gz AHJYMULBMJIPMW-IAGOWNOFSA-N 2 0 348.535 1.665 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000662742262 453469734 /nfs/dbraw/zinc/46/97/34/453469734.db2.gz NKSXAKWKBOMXEK-UHFFFAOYSA-N 2 0 343.431 1.055 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C1 ZINC000662749555 453479725 /nfs/dbraw/zinc/47/97/25/453479725.db2.gz JLRVYZBJHMDDSN-ZFWWWQNUSA-N 2 0 333.398 1.719 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662788555 453522872 /nfs/dbraw/zinc/52/28/72/453522872.db2.gz LSSLSQPHKYKBEV-UYSNPLJNSA-N 2 0 348.495 1.443 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000660702515 453526741 /nfs/dbraw/zinc/52/67/41/453526741.db2.gz JVPZEOYLWQAYDT-SFHVURJKSA-N 2 0 334.508 1.892 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662814991 453548299 /nfs/dbraw/zinc/54/82/99/453548299.db2.gz AVYBACIUUCAVKQ-WFASDCNBSA-N 2 0 333.398 1.765 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662828813 453556209 /nfs/dbraw/zinc/55/62/09/453556209.db2.gz LUMNBWGYAARINT-INIZCTEOSA-N 2 0 342.447 1.242 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833031 453559610 /nfs/dbraw/zinc/55/96/10/453559610.db2.gz LUTWSXUKLDZNKS-HKUYNNGSSA-N 2 0 343.471 1.587 20 0 EDADRP Cc1c(C[NH3+])c(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nn1C ZINC000662836638 453561711 /nfs/dbraw/zinc/56/17/11/453561711.db2.gz CARUQZVYJSVERH-OAHLLOKOSA-N 2 0 342.447 1.433 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000659019074 453583528 /nfs/dbraw/zinc/58/35/28/453583528.db2.gz MSVOOKNSMGAJEZ-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP CC[N@H+](CCNC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659034973 453591558 /nfs/dbraw/zinc/59/15/58/453591558.db2.gz SDPPKKISOXRSGI-QGZVFWFLSA-N 2 0 332.448 1.953 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C[NH+]1CCN(C)CC1 ZINC000660829807 453593344 /nfs/dbraw/zinc/59/33/44/453593344.db2.gz JLLVDZPZBIZHDM-HZPDHXFCSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660855213 453612102 /nfs/dbraw/zinc/61/21/02/453612102.db2.gz LOIPTKZPTCMDMH-WBVHZDCISA-N 2 0 338.496 1.128 20 0 EDADRP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)ccn1 ZINC000665240139 453620082 /nfs/dbraw/zinc/62/00/82/453620082.db2.gz DJLBTQPAGUKUHF-VQTJNVASSA-N 2 0 344.503 1.650 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290939 453638077 /nfs/dbraw/zinc/63/80/77/453638077.db2.gz PFAXGRSCNAKRLB-WMLDXEAASA-N 2 0 341.459 1.641 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1ccc2c(c1)NC(=O)CO2 ZINC000665342855 453658454 /nfs/dbraw/zinc/65/84/54/453658454.db2.gz QCMONEZLMYWDJA-UHFFFAOYSA-N 2 0 349.435 1.023 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659350144 453724822 /nfs/dbraw/zinc/72/48/22/453724822.db2.gz DVWHWWWOYOUOFV-OPQOLIRYSA-N 2 0 349.450 1.674 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000665555966 453747665 /nfs/dbraw/zinc/74/76/65/453747665.db2.gz OHZKLKCFVYIYCQ-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1c(C(F)(F)F)cnn1C)N1CC[NH+](C)CC1 ZINC000657302263 453760358 /nfs/dbraw/zinc/76/03/58/453760358.db2.gz BKMAIRSVMQJJDM-AWEZNQCLSA-N 2 0 347.429 1.801 20 0 EDADRP CS(=O)(=O)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657373212 453777676 /nfs/dbraw/zinc/77/76/76/453777676.db2.gz PZCXGNGAIXLLFM-CZUORRHYSA-N 2 0 334.445 1.713 20 0 EDADRP CS(=O)(=O)N[C@H]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657395049 453780373 /nfs/dbraw/zinc/78/03/73/453780373.db2.gz QBHUQDUITOQGDG-CJNGLKHVSA-N 2 0 349.460 1.075 20 0 EDADRP O=S1(=O)CCC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657422343 453784660 /nfs/dbraw/zinc/78/46/60/453784660.db2.gz SUUGGSPCAQZGPM-UHFFFAOYSA-N 2 0 334.445 1.572 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361425 453799626 /nfs/dbraw/zinc/79/96/26/453799626.db2.gz MCGMCXPOZNNRIT-CAOSSQGBSA-N 2 0 326.485 1.268 20 0 EDADRP Cn1ncc(Br)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000683765593 486665556 /nfs/dbraw/zinc/66/55/56/486665556.db2.gz ZFGPEKUXVVYLOE-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000680255527 486731621 /nfs/dbraw/zinc/73/16/21/486731621.db2.gz HBIYANPLVPMRKZ-LJQANCHMSA-N 2 0 340.427 1.723 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000415640720 486760349 /nfs/dbraw/zinc/76/03/49/486760349.db2.gz FACPABMXBVWBQU-DOTOQJQBSA-N 2 0 346.475 1.853 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000680581810 486818544 /nfs/dbraw/zinc/81/85/44/486818544.db2.gz FKWWOKRUHGNYLL-ZPLIXLBSSA-N 2 0 335.536 1.789 20 0 EDADRP C[C@@H](CN1CCOCC1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684026617 486916363 /nfs/dbraw/zinc/91/63/63/486916363.db2.gz ZEOYONIPGFHRDU-KRWDZBQOSA-N 2 0 335.492 1.780 20 0 EDADRP COCCc1ccc(OC[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000667875656 487000741 /nfs/dbraw/zinc/00/07/41/487000741.db2.gz QOHGUISKNMHAKY-MRXNPFEDSA-N 2 0 336.476 1.689 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000667951336 487028131 /nfs/dbraw/zinc/02/81/31/487028131.db2.gz NKFJTCZPHSTVOW-QRVBRYPASA-N 2 0 345.487 1.737 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000673638007 487073653 /nfs/dbraw/zinc/07/36/53/487073653.db2.gz RPZVBOXUYVTPCQ-HUUCEWRRSA-N 2 0 346.475 1.789 20 0 EDADRP Cc1cn2ccc(NC(=O)N3CCN([C@H]4CCOC4)CC3)cc2n1 ZINC000668168341 487127226 /nfs/dbraw/zinc/12/72/26/487127226.db2.gz VCODZHRPNODQLM-HNNXBMFYSA-N 2 0 329.404 1.581 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)CC1 ZINC000674030133 487186980 /nfs/dbraw/zinc/18/69/80/487186980.db2.gz YWMWXZLEEYWIGN-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NCC12CCC[NH+]1CCC2 ZINC000684846635 487176611 /nfs/dbraw/zinc/17/66/11/487176611.db2.gz CMJVAXZQMLTQDU-UHFFFAOYSA-N 2 0 331.460 1.985 20 0 EDADRP C[C@H]1C[C@H](NC(=O)CN2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674323148 487235663 /nfs/dbraw/zinc/23/56/63/487235663.db2.gz JJKWOZISYFFUCU-PKOBYXMFSA-N 2 0 344.503 1.403 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000682282198 487336857 /nfs/dbraw/zinc/33/68/57/487336857.db2.gz MVBDYEYVPGIATH-UHFFFAOYSA-N 2 0 348.491 1.529 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CN(C)CCO1 ZINC000678602545 487340718 /nfs/dbraw/zinc/34/07/18/487340718.db2.gz YPYOUBGHXMUJRM-FRQCXROJSA-N 2 0 335.492 1.997 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC12CCC2 ZINC000675319448 487398295 /nfs/dbraw/zinc/39/82/95/487398295.db2.gz CQWNPFLCAATLRE-QGZVFWFLSA-N 2 0 328.460 1.900 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669540650 485524471 /nfs/dbraw/zinc/52/44/71/485524471.db2.gz YMNQURASSRYVDE-CQSZACIVSA-N 2 0 331.464 1.658 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NC/C=C\C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554179 485552709 /nfs/dbraw/zinc/55/27/09/485552709.db2.gz NNOSJIABUXGYMG-IAFRVXFPSA-N 2 0 344.459 1.787 20 0 EDADRP CC1CCC(NC(=O)CN2CCC[C@@H]([NH+]3CCOCC3)CC2)CC1 ZINC000670985400 485608721 /nfs/dbraw/zinc/60/87/21/485608721.db2.gz SIGAJGIKUSMELK-DAWZGUTISA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000669584183 485633145 /nfs/dbraw/zinc/63/31/45/485633145.db2.gz YWAXCAZZPVHRRO-DSJMHWKBSA-N 2 0 338.452 1.466 20 0 EDADRP c1cc2n(n1)C[C@H](C[NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CN2 ZINC000668512006 485828467 /nfs/dbraw/zinc/82/84/67/485828467.db2.gz IRWXYXVNGDQXQB-GOSISDBHSA-N 2 0 340.475 1.822 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)[NH+]1CCCC1 ZINC000668644727 485990048 /nfs/dbraw/zinc/99/00/48/485990048.db2.gz PFLJMCWUPKPCID-DOTOQJQBSA-N 2 0 346.475 1.835 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669397625 486056521 /nfs/dbraw/zinc/05/65/21/486056521.db2.gz MTCUADMWSCZALM-SNAWJCMRSA-N 2 0 345.491 1.403 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000668715748 486081617 /nfs/dbraw/zinc/08/16/17/486081617.db2.gz MNKBNAQCUGTHNT-LSDHHAIUSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCO1 ZINC000669409524 486100698 /nfs/dbraw/zinc/10/06/98/486100698.db2.gz KDZTYDNOECRTIB-XFIYOXNOSA-N 2 0 326.485 1.110 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420512 486141488 /nfs/dbraw/zinc/14/14/88/486141488.db2.gz NTQFRQDZTDNALE-AEFFLSMTSA-N 2 0 330.476 1.935 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000670787447 486220070 /nfs/dbraw/zinc/22/00/70/486220070.db2.gz GQGLLKBOHOPVHL-OAHLLOKOSA-N 2 0 327.432 1.233 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000669508897 486291761 /nfs/dbraw/zinc/29/17/61/486291761.db2.gz UXYHWLCRMOGHNT-FUHWJXTLSA-N 2 0 325.412 1.698 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)Cn2ccnn2)CC1 ZINC000459716903 486459343 /nfs/dbraw/zinc/45/93/43/486459343.db2.gz QFZZERQIPNMSSJ-APWZRJJASA-N 2 0 343.475 1.324 20 0 EDADRP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@@H]1CN(C)CCO1 ZINC000133195386 491220104 /nfs/dbraw/zinc/22/01/04/491220104.db2.gz RAGQCGDMNNEKSH-YOEHRIQHSA-N 2 0 334.464 1.267 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000669035366 491019145 /nfs/dbraw/zinc/01/91/45/491019145.db2.gz GBASAYFYGSJDON-MRXNPFEDSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]([NH2+]C1CC1)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000132815176 533803608 /nfs/dbraw/zinc/80/36/08/533803608.db2.gz JHBHZBUWUZPPHH-ZDUSSCGKSA-N 2 0 325.478 1.730 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccc(C)cc2)[C@H](C)C1 ZINC000177994802 527880014 /nfs/dbraw/zinc/88/00/14/527880014.db2.gz QUGLLAQZRWDXFT-WBVHZDCISA-N 2 0 339.505 1.593 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158460913 527882362 /nfs/dbraw/zinc/88/23/62/527882362.db2.gz KMFPHCPPAPDKFB-AEFFLSMTSA-N 2 0 331.508 1.653 20 0 EDADRP CCCNC(=O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132766597 528402328 /nfs/dbraw/zinc/40/23/28/528402328.db2.gz XQHGSQSXMUBSSE-UHFFFAOYSA-N 2 0 332.492 1.833 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(O)c1 ZINC000174195819 529071555 /nfs/dbraw/zinc/07/15/55/529071555.db2.gz WPHRFWDHKCRECL-QGZVFWFLSA-N 2 0 348.491 1.950 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339592227 535063115 /nfs/dbraw/zinc/06/31/15/535063115.db2.gz ZCKBFGMMCOGHGH-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000331769708 535101559 /nfs/dbraw/zinc/10/15/59/535101559.db2.gz BVPLLMWLTNLWKQ-IXDOHACOSA-N 2 0 343.537 1.699 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000347703367 535190118 /nfs/dbraw/zinc/19/01/18/535190118.db2.gz PWFZFAXLUWKQPJ-ZWKOTPCHSA-N 2 0 339.524 1.827 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000339523811 535466860 /nfs/dbraw/zinc/46/68/60/535466860.db2.gz WTIBMWQVZAZZQF-UHFFFAOYSA-N 3 0 341.544 1.386 20 0 EDADRP CCOC(=O)CCCCC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000344783667 535627297 /nfs/dbraw/zinc/62/72/97/535627297.db2.gz YPJUURZOZFDRRW-KRWDZBQOSA-N 2 0 325.497 1.822 20 0 EDADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(OC)c(OC)c1 ZINC000262073485 535703941 /nfs/dbraw/zinc/70/39/41/535703941.db2.gz KEQAOVHSUQPGAG-UHFFFAOYSA-N 2 0 335.448 1.348 20 0 EDADRP C[NH+](C)CCNC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000133635756 535883167 /nfs/dbraw/zinc/88/31/67/535883167.db2.gz LFHIBLNBWBROBU-UHFFFAOYSA-N 2 0 336.455 1.899 20 0 EDADRP CC[C@]1(C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]C1 ZINC000119647074 535883443 /nfs/dbraw/zinc/88/34/43/535883443.db2.gz BIGSPFOELKECIO-SFHVURJKSA-N 2 0 346.431 1.484 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000343565976 535893771 /nfs/dbraw/zinc/89/37/71/535893771.db2.gz KGZTVORFUXFYBA-MAUKXSAKSA-N 2 0 336.480 1.540 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000245420763 536034623 /nfs/dbraw/zinc/03/46/23/536034623.db2.gz CHHGINRPDPOJQE-SJORKVTESA-N 2 0 344.459 1.382 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000262228632 536048193 /nfs/dbraw/zinc/04/81/93/536048193.db2.gz NQFOMMIVRUJANL-MBOZVWFJSA-N 2 0 345.487 1.897 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262769732 536049267 /nfs/dbraw/zinc/04/92/67/536049267.db2.gz MFVFAGSAOKKYEI-QGZVFWFLSA-N 2 0 341.459 1.799 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@@H]4C3(C)C)CC[C@H]21 ZINC000261607857 536379046 /nfs/dbraw/zinc/37/90/46/536379046.db2.gz CZZGCONZUCXYPE-GMKVZWAMSA-N 2 0 335.492 1.462 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC(F)F ZINC000345703562 536434417 /nfs/dbraw/zinc/43/44/17/536434417.db2.gz DFWAMOMSAOXDIL-LSDHHAIUSA-N 2 0 325.403 1.949 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000079096779 536788049 /nfs/dbraw/zinc/78/80/49/536788049.db2.gz LHGLVNZBIGBENQ-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000262421568 536917071 /nfs/dbraw/zinc/91/70/71/536917071.db2.gz QOBLAHAZBNJQPW-NXHRZFHOSA-N 2 0 347.459 1.061 20 0 EDADRP C[C@@H](COc1ccccc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741079654 579396437 /nfs/dbraw/zinc/39/64/37/579396437.db2.gz MUWCCJGBWAPHQN-INIZCTEOSA-N 2 0 336.480 1.589 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1ccn(C(C)C)n1 ZINC000742609186 579456619 /nfs/dbraw/zinc/45/66/19/579456619.db2.gz OOSZBBCFSLVEJN-SFHVURJKSA-N 2 0 349.523 1.881 20 0 EDADRP COc1ccccc1[C@H](O)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000726797123 578361644 /nfs/dbraw/zinc/36/16/44/578361644.db2.gz USCQDKAJVLJLQQ-IEBWSBKVSA-N 2 0 344.455 1.811 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000729539047 578580933 /nfs/dbraw/zinc/58/09/33/578580933.db2.gz CGAGPZJKPWUIHE-UHFFFAOYSA-N 2 0 347.503 1.991 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000729618163 578584822 /nfs/dbraw/zinc/58/48/22/578584822.db2.gz HKISIHGUYPRNNN-YESZJQIVSA-N 2 0 336.480 1.119 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000734276086 578804472 /nfs/dbraw/zinc/80/44/72/578804472.db2.gz GTYPCPAZDVGEQS-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP CCOCCN1CCN(C(=S)NC[C@H]2CCC[N@@H+]2CC)C[C@H]1C ZINC000735240816 578871136 /nfs/dbraw/zinc/87/11/36/578871136.db2.gz FGKNWXGRDXVAFT-HZPDHXFCSA-N 2 0 342.553 1.388 20 0 EDADRP C[N@@H+](Cc1cn2ccccc2c1-c1nn[nH]n1)C[C@@H]1CCC[NH+](C)C1 ZINC000736855524 579026596 /nfs/dbraw/zinc/02/65/96/579026596.db2.gz HHJWLDFKQGORQA-CQSZACIVSA-N 2 0 339.447 1.893 20 0 EDADRP C[N@@H+](CCc1ccc(S(N)(=O)=O)cc1)CC[C@H]1CCCC[NH+]1C ZINC000744410571 579509997 /nfs/dbraw/zinc/50/99/97/579509997.db2.gz OAGGJSFCXKRKSM-MRXNPFEDSA-N 2 0 339.505 1.683 20 0 EDADRP O=C1OCCN1CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000745948431 579568144 /nfs/dbraw/zinc/56/81/44/579568144.db2.gz HUWVFSVAYYVTCY-UHFFFAOYSA-N 2 0 325.453 1.406 20 0 EDADRP O[C@@H](CN1CCC(OCC[NH+]2CCCC2)CC1)C[NH+]1CCCC1 ZINC000745948672 579568221 /nfs/dbraw/zinc/56/82/21/579568221.db2.gz QHIHFIMDMILMIN-QGZVFWFLSA-N 2 0 325.497 1.020 20 0 EDADRP C[N@H+](CCNC(=S)NC1CC[NH+](C)CC1)Cc1ccc(F)cc1 ZINC000749004028 579709793 /nfs/dbraw/zinc/70/97/93/579709793.db2.gz BPYNFOCZBIQRME-UHFFFAOYSA-N 2 0 338.496 1.816 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000764491860 580121714 /nfs/dbraw/zinc/12/17/14/580121714.db2.gz VNIVTKVRHBGPIS-GJZGRUSLSA-N 2 0 326.554 1.865 20 0 EDADRP C[N@H+](CC(=O)N1CCCC2(CC[NH+](C)CC2)C1)[C@H]1CCSC1 ZINC000799027641 581014535 /nfs/dbraw/zinc/01/45/35/581014535.db2.gz QHAVOFTXKRDSAQ-HNNXBMFYSA-N 2 0 325.522 1.758 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)/C=C/c1ccccc1F ZINC000800045834 581041307 /nfs/dbraw/zinc/04/13/07/581041307.db2.gz DVNIQOATMLFNII-NTEUORMPSA-N 2 0 343.468 1.551 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C(F)(F)F ZINC000891866872 590662233 /nfs/dbraw/zinc/66/22/33/590662233.db2.gz IRGSMIRGMJJQSX-ABXWRUBCSA-N 2 0 348.413 1.782 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC[NH+](C)CC1 ZINC000891909045 590683514 /nfs/dbraw/zinc/68/35/14/590683514.db2.gz ZFKZZAXXZVQOAW-UONOGXRCSA-N 2 0 326.510 1.350 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(Cc2nccc3c2CCCC3)CC1 ZINC000891925443 590692125 /nfs/dbraw/zinc/69/21/25/590692125.db2.gz GEYXYYYMBFDCAO-UHFFFAOYSA-N 2 0 342.487 1.700 20 0 EDADRP C[C@@H](CNc1nc(NC[C@H](C)[NH+](C)C)nc(NC2CC2)n1)[NH+](C)C ZINC000892029627 590758658 /nfs/dbraw/zinc/75/86/58/590758658.db2.gz XSPFYJMOQRMNFR-RYUDHWBXSA-N 2 0 336.488 1.170 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)NC[C@@H](C)C[NH3+])C2)c1 ZINC000892044480 590768731 /nfs/dbraw/zinc/76/87/31/590768731.db2.gz KUJBKLJTUOOWQX-RDJZCZTQSA-N 2 0 334.464 1.090 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC(F)(F)CN ZINC000892063184 590778855 /nfs/dbraw/zinc/77/88/55/590778855.db2.gz YANQDBXNSIRIIO-ZFWWWQNUSA-N 2 0 340.418 1.648 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892087046 590790513 /nfs/dbraw/zinc/79/05/13/590790513.db2.gz RYRRCENGHBUJRE-KRWDZBQOSA-N 2 0 344.459 1.248 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)NCC2(COC)CC[NH2+]CC2)CC1 ZINC000892115956 590807435 /nfs/dbraw/zinc/80/74/35/590807435.db2.gz RLQFMIBLCGEKEC-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP Cn1ncc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1C1CC1 ZINC000893390535 590829666 /nfs/dbraw/zinc/82/96/66/590829666.db2.gz BAQXGKPWBSGLMO-UHFFFAOYSA-N 2 0 329.448 1.923 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000892168586 590839664 /nfs/dbraw/zinc/83/96/64/590839664.db2.gz JSQUZBDJIGRDLN-MRXNPFEDSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000892294557 590919714 /nfs/dbraw/zinc/91/97/14/590919714.db2.gz KFHNCJRUZDWXOB-NJAFHUGGSA-N 2 0 346.475 1.042 20 0 EDADRP CC1CCC(NC(=O)CN2CCN(c3cc[nH+]cc3CO)CC2)CC1 ZINC000892318553 590941795 /nfs/dbraw/zinc/94/17/95/590941795.db2.gz RXFRGQZKNPFFAD-UHFFFAOYSA-N 2 0 346.475 1.391 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892330356 590954673 /nfs/dbraw/zinc/95/46/73/590954673.db2.gz YLRXZLOHBVCQCQ-KRWDZBQOSA-N 2 0 330.476 1.956 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891366557 591063135 /nfs/dbraw/zinc/06/31/35/591063135.db2.gz WHLXTMHXEPUKLX-WMLDXEAASA-N 2 0 328.460 1.484 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892587719 591083118 /nfs/dbraw/zinc/08/31/18/591083118.db2.gz PMJDQWRDAOTILF-LBWNCTQTSA-N 2 0 336.480 1.055 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892599939 591088776 /nfs/dbraw/zinc/08/87/76/591088776.db2.gz WQASYZVCOWJSAB-MUJYYYPQSA-N 2 0 338.496 1.005 20 0 EDADRP COc1ccc([C@H](CNc2cc[nH+]cc2CO)[NH+](C)C)cc1OC ZINC000891489077 591091555 /nfs/dbraw/zinc/09/15/55/591091555.db2.gz DHHZEJOQKZNLIO-INIZCTEOSA-N 2 0 331.416 1.728 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C1CCCC1 ZINC000891516436 591102866 /nfs/dbraw/zinc/10/28/66/591102866.db2.gz GRHHEHKQUHRUKD-YPMHNXCESA-N 2 0 336.402 1.639 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000891538396 591113140 /nfs/dbraw/zinc/11/31/40/591113140.db2.gz XJNJYEMKYCGSTG-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000893867419 591120627 /nfs/dbraw/zinc/12/06/27/591120627.db2.gz QKQPMDJWULXNMT-UHFFFAOYSA-N 2 0 341.544 1.242 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000891555713 591122888 /nfs/dbraw/zinc/12/28/88/591122888.db2.gz CJDLIDLBYSVFBL-CMKODMSKSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000891596964 591141888 /nfs/dbraw/zinc/14/18/88/591141888.db2.gz IJAFJEYXAJNLIW-FXAWDEMLSA-N 2 0 342.487 1.669 20 0 EDADRP C[N@H+](CCCNC(=O)NCC[NH+]1CCC(O)CC1)Cc1ccccc1 ZINC000891627178 591156961 /nfs/dbraw/zinc/15/69/61/591156961.db2.gz UWYSDDKIJGRTNI-UHFFFAOYSA-N 2 0 348.491 1.264 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[NH2+]CCC23CCC3)CCSC1 ZINC000891639475 591162849 /nfs/dbraw/zinc/16/28/49/591162849.db2.gz SASNRQQIIRWHCX-INIZCTEOSA-N 2 0 326.510 1.351 20 0 EDADRP CC(C)([NH3+])CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000892849798 591203323 /nfs/dbraw/zinc/20/33/23/591203323.db2.gz DRYNPLIACJUAKW-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000891748049 591208856 /nfs/dbraw/zinc/20/88/56/591208856.db2.gz NDJAZAICZBHMPW-UHFFFAOYSA-N 2 0 327.517 1.090 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891758660 591213568 /nfs/dbraw/zinc/21/35/68/591213568.db2.gz KTXPQVSJRQOENB-NRSFXHEJSA-N 2 0 330.476 1.934 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892882123 591214158 /nfs/dbraw/zinc/21/41/58/591214158.db2.gz DVNPMVFIAIBMNX-LBPRGKRZSA-N 2 0 337.493 1.354 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892951419 591237268 /nfs/dbraw/zinc/23/72/68/591237268.db2.gz NFGLKCSEDGUYLG-IBGZPJMESA-N 2 0 343.475 1.653 20 0 EDADRP CN(C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000893014830 591254396 /nfs/dbraw/zinc/25/43/96/591254396.db2.gz ZYNALVCCOMVCRS-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895696743 591257341 /nfs/dbraw/zinc/25/73/41/591257341.db2.gz GFZJUCOFLIGSSE-MOPGFXCFSA-N 2 0 343.471 1.488 20 0 EDADRP COc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc1N[C@@H]1CC[NH+](C)[C@H]1C ZINC000895740194 591262177 /nfs/dbraw/zinc/26/21/77/591262177.db2.gz MFSQHTQRRZWEPR-REWJHTLYSA-N 2 0 334.468 1.494 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000895805194 591277375 /nfs/dbraw/zinc/27/73/75/591277375.db2.gz QWJOWFHJCNZEAS-OAHLLOKOSA-N 2 0 338.496 1.149 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCC([NH+]2CCCCC2)CC1 ZINC000895842196 591283252 /nfs/dbraw/zinc/28/32/52/591283252.db2.gz CMMJTJGJGCTEEU-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H]3C[C@]3(C)Br)CC2)CC1 ZINC000895846342 591286591 /nfs/dbraw/zinc/28/65/91/591286591.db2.gz VZHGBLFOFYDOBT-ZFWWWQNUSA-N 2 0 330.314 1.872 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000895850343 591287266 /nfs/dbraw/zinc/28/72/66/591287266.db2.gz HNEPVRJSDOIOGD-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895858238 591288940 /nfs/dbraw/zinc/28/89/40/591288940.db2.gz KPNNWGMQQSPIAR-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP CCc1nnc(CN2CCC(C(=O)N3CCN(C)CC3)CC2)s1 ZINC000894451193 591315475 /nfs/dbraw/zinc/31/54/75/591315475.db2.gz FIBIQKUDIDEXLX-UHFFFAOYSA-N 2 0 337.493 1.087 20 0 EDADRP CN(Cc1cnc2n1CCOC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459876 591318410 /nfs/dbraw/zinc/31/84/10/591318410.db2.gz QVCBFJLGOVGQDY-INIZCTEOSA-N 2 0 333.480 1.014 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)N2CCC(n3ccnc3)CC2)n[nH]1 ZINC000896008878 591322509 /nfs/dbraw/zinc/32/25/09/591322509.db2.gz HKPXEPISFGPBJR-INIZCTEOSA-N 2 0 328.420 1.850 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000841045229 591331734 /nfs/dbraw/zinc/33/17/34/591331734.db2.gz PQENKSMJSMHFOI-KBPBESRZSA-N 2 0 333.423 1.238 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)N1C[C@H]2C[N@H+](C)C[C@@]2(C)C1 ZINC000896241236 591398283 /nfs/dbraw/zinc/39/82/83/591398283.db2.gz VYQZFKSBQDEGOH-SUMDDJOVSA-N 2 0 328.460 1.766 20 0 EDADRP COC(=O)CCn1nc(C)c(CNCc2cc(N(C)C)cc[nH+]2)c1C ZINC000896299079 591412482 /nfs/dbraw/zinc/41/24/82/591412482.db2.gz QPIZBLIOFOSMOG-UHFFFAOYSA-N 2 0 345.447 1.814 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000894817522 591427732 /nfs/dbraw/zinc/42/77/32/591427732.db2.gz SCUFVUGUZKWGEC-MRXNPFEDSA-N 2 0 341.496 1.944 20 0 EDADRP CCO[C@@H](CNC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)C[NH+](C)C ZINC000896683773 591573476 /nfs/dbraw/zinc/57/34/76/591573476.db2.gz WLDAFYBXLAAZNU-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897615169 591588745 /nfs/dbraw/zinc/58/87/45/591588745.db2.gz QWRBQZVHFGSJAU-HKUYNNGSSA-N 2 0 343.471 1.345 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000898993405 591633646 /nfs/dbraw/zinc/63/36/46/591633646.db2.gz PTVUYHVMPUKHQY-JYJNAYRXSA-N 2 0 328.501 1.059 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1(F)F ZINC000895227107 591668429 /nfs/dbraw/zinc/66/84/29/591668429.db2.gz URNQKJUZPZCXGZ-GJZGRUSLSA-N 2 0 346.418 1.521 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n[nH]1 ZINC000897851902 591696219 /nfs/dbraw/zinc/69/62/19/591696219.db2.gz HAFPCXKPROUDBQ-SJLPKXTDSA-N 2 0 331.464 1.734 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@H]1OC ZINC000895309057 591707633 /nfs/dbraw/zinc/70/76/33/591707633.db2.gz LWIXSFUEIDEWPF-RCCFBDPRSA-N 2 0 326.481 1.659 20 0 EDADRP COCCOc1ccc(CN2CCO[C@@H](CCC[NH+](C)C)C2)o1 ZINC000895472660 591769461 /nfs/dbraw/zinc/76/94/61/591769461.db2.gz IZVCSMITCALLAZ-HNNXBMFYSA-N 2 0 326.437 1.847 20 0 EDADRP CN(c1cccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1)S(C)(=O)=O ZINC000898284706 591853293 /nfs/dbraw/zinc/85/32/93/591853293.db2.gz NGUXTIUNKRWFCC-DOTOQJQBSA-N 2 0 337.489 1.799 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000900002959 591861249 /nfs/dbraw/zinc/86/12/49/591861249.db2.gz ZTCJYBJZEKYMLI-MJGOQNOKSA-N 2 0 331.460 1.354 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900016171 591868548 /nfs/dbraw/zinc/86/85/48/591868548.db2.gz MINKKESOVRNCML-PKOBYXMFSA-N 2 0 333.476 1.600 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000900019328 591870573 /nfs/dbraw/zinc/87/05/73/591870573.db2.gz ZLNZIQOMKZIETL-AZUAARDMSA-N 2 0 345.487 1.744 20 0 EDADRP C[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140977 591915635 /nfs/dbraw/zinc/91/56/35/591915635.db2.gz LXHXPMHKGCUYPO-OXJNMPFZSA-N 2 0 345.487 1.396 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900218815 591947151 /nfs/dbraw/zinc/94/71/51/591947151.db2.gz NPFYMKRFPXAKRU-HOTGVXAUSA-N 2 0 335.496 1.543 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@@H](O)C2(O)CCOCC2)cc1 ZINC000899868257 591966134 /nfs/dbraw/zinc/96/61/34/591966134.db2.gz XBDIYDPNVXVYFO-GOSISDBHSA-N 2 0 336.476 1.520 20 0 EDADRP [NH2+]=C(NOCc1cnns1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000902325623 591979151 /nfs/dbraw/zinc/97/91/51/591979151.db2.gz RWSLEBLZZVNHSA-CQSZACIVSA-N 2 0 333.417 1.438 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000902351559 591984819 /nfs/dbraw/zinc/98/48/19/591984819.db2.gz ZPWFBUDSDDTQAC-ZIAGYGMSSA-N 2 0 336.432 1.523 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000902402749 591991110 /nfs/dbraw/zinc/99/11/10/591991110.db2.gz DVNUCBXHWCOQKZ-IBGZPJMESA-N 3 0 330.520 1.960 20 0 EDADRP CN1C[C@@H](O)C[C@]1(C)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000900351299 591992899 /nfs/dbraw/zinc/99/28/99/591992899.db2.gz YNCGXPCEJBBXMY-PKOBYXMFSA-N 2 0 331.460 1.719 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499391 592002811 /nfs/dbraw/zinc/00/28/11/592002811.db2.gz JOZYMTBZAKEYGZ-BPUTZDHNSA-N 2 0 327.432 1.309 20 0 EDADRP CN(c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1)S(C)(=O)=O ZINC000902514209 592008416 /nfs/dbraw/zinc/00/84/16/592008416.db2.gz MOWJJOFXKYLVOC-GDBMZVCRSA-N 2 0 325.478 1.690 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000900411916 592011553 /nfs/dbraw/zinc/01/15/53/592011553.db2.gz AKDKOTSIEVTMFY-MJGOQNOKSA-N 2 0 337.508 1.602 20 0 EDADRP CO[C@@H]1CCC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000903139368 592126005 /nfs/dbraw/zinc/12/60/05/592126005.db2.gz HVHBBCXDBYZCPA-FGTMMUONSA-N 2 0 333.476 1.433 20 0 EDADRP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)ccn1 ZINC000903199223 592134445 /nfs/dbraw/zinc/13/44/45/592134445.db2.gz JGBPUZCYYBXLEB-MOPGFXCFSA-N 2 0 331.460 1.831 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000900816816 592135797 /nfs/dbraw/zinc/13/57/97/592135797.db2.gz CNHSQZNDDQGGGM-ZWKOTPCHSA-N 2 0 338.540 1.591 20 0 EDADRP C[NH+](C)CC[C@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000903377657 592163872 /nfs/dbraw/zinc/16/38/72/592163872.db2.gz MYCKEEKNVFXSJG-MOPGFXCFSA-N 2 0 332.492 1.917 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1 ZINC000903476175 592176215 /nfs/dbraw/zinc/17/62/15/592176215.db2.gz PDEVJCUHAHDVAC-WNWFYDSVSA-N 2 0 327.375 1.145 20 0 EDADRP CC(C)(C[NH3+])C1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000903522655 592196598 /nfs/dbraw/zinc/19/65/98/592196598.db2.gz JCDSPPPQTBZLLT-UHFFFAOYSA-N 2 0 331.526 1.499 20 0 EDADRP CC[C@@H](C)CS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562619 592210545 /nfs/dbraw/zinc/21/05/45/592210545.db2.gz QUJZJMJFRLHTHQ-BMFZPTHFSA-N 2 0 329.510 1.263 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC3(CC2)CNC(=O)c2ccccc2O3)C1 ZINC000903563406 592211184 /nfs/dbraw/zinc/21/11/84/592211184.db2.gz BLJRIJYZMODLMG-LSDHHAIUSA-N 2 0 329.444 1.771 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000901068931 592212211 /nfs/dbraw/zinc/21/22/11/592212211.db2.gz VINHAXNPRKYCSE-ZWKOTPCHSA-N 2 0 345.487 1.395 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCCC[C@@H]1C ZINC000906646244 592231943 /nfs/dbraw/zinc/23/19/43/592231943.db2.gz PJIQKJXSGUQGKB-UONOGXRCSA-N 2 0 332.448 1.463 20 0 EDADRP C[C@@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906647365 592232898 /nfs/dbraw/zinc/23/28/98/592232898.db2.gz RLXIERXADFLFCQ-INIZCTEOSA-N 2 0 332.492 1.117 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccccc1C[NH3+])C(C)(C)C ZINC000906651672 592235530 /nfs/dbraw/zinc/23/55/30/592235530.db2.gz UKXDIBNIFXNCBF-HNNXBMFYSA-N 2 0 334.464 1.566 20 0 EDADRP CS(=O)(=O)N(C1CCC1)[C@H]1CCC[N@H+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904348546 592236290 /nfs/dbraw/zinc/23/62/90/592236290.db2.gz RNMKNGXCGACORX-LZWOXQAQSA-N 2 0 329.510 1.392 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906658091 592240362 /nfs/dbraw/zinc/24/03/62/592240362.db2.gz VGOGIKRHGBSMMB-HOTGVXAUSA-N 2 0 346.475 1.808 20 0 EDADRP COc1ccc(CC[NH2+]C2CCN(CC[NH3+])CC2)c(OC)c1OC ZINC000904363982 592241196 /nfs/dbraw/zinc/24/11/96/592241196.db2.gz HLIXNGQITCVSQS-UHFFFAOYSA-N 2 0 337.464 1.268 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CNc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000904377077 592245123 /nfs/dbraw/zinc/24/51/23/592245123.db2.gz JBXAQQNKMKKNGQ-SFHVURJKSA-N 2 0 342.443 1.962 20 0 EDADRP C[C@H](NC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1=CC[N@H+](C)CC1 ZINC000906663881 592245811 /nfs/dbraw/zinc/24/58/11/592245811.db2.gz IPCDJWRZEQNRCK-ZDUSSCGKSA-N 2 0 344.459 1.586 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000906665264 592246934 /nfs/dbraw/zinc/24/69/34/592246934.db2.gz UJSLJOAGWNJQIX-HNNXBMFYSA-N 2 0 330.432 1.171 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C(=O)Nc3ccc(C(C)(C)[NH3+])cc3)C2)C1 ZINC000906670361 592251609 /nfs/dbraw/zinc/25/16/09/592251609.db2.gz MONSDGYZUDVIQA-IBGZPJMESA-N 2 0 344.459 1.373 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000901134844 592252756 /nfs/dbraw/zinc/25/27/56/592252756.db2.gz IYYDHAIORODDTG-MSOLQXFVSA-N 2 0 336.524 1.345 20 0 EDADRP C(OC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)[C@H]1CCCO1 ZINC000903725828 592285270 /nfs/dbraw/zinc/28/52/70/592285270.db2.gz IBOXACKIMVWQKN-QZTJIDSGSA-N 2 0 338.492 1.805 20 0 EDADRP C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732521 592288125 /nfs/dbraw/zinc/28/81/25/592288125.db2.gz FQJXXDWYHVSGPH-ICSRJNTNSA-N 2 0 345.487 1.724 20 0 EDADRP CCOc1ccccc1N1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732341 592288215 /nfs/dbraw/zinc/28/82/15/592288215.db2.gz DMEFUCHGDYBNHE-XLIONFOSSA-N 2 0 345.487 1.976 20 0 EDADRP Cn1ccnc1CN(C[C@H]1CCCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000903746068 592293054 /nfs/dbraw/zinc/29/30/54/592293054.db2.gz VNKIDDNVUYZACB-IRXDYDNUSA-N 2 0 331.508 1.754 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747065 592293183 /nfs/dbraw/zinc/29/31/83/592293183.db2.gz OVHUFQILMKIRQJ-HSALFYBXSA-N 2 0 329.488 1.964 20 0 EDADRP CCOC(=O)N(C)C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903752967 592296600 /nfs/dbraw/zinc/29/66/00/592296600.db2.gz RDFUFVILJWKPNY-DOTOQJQBSA-N 2 0 325.453 1.308 20 0 EDADRP C[C@@H]1C[C@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)CC[NH2+]1 ZINC000904625471 592298250 /nfs/dbraw/zinc/29/82/50/592298250.db2.gz CUPAUUNDHDAHAN-TZMCWYRMSA-N 2 0 331.420 1.928 20 0 EDADRP CCN1CCN(C(=O)Nc2ccccc2C[NH3+])C[C@H]1c1nccn1C ZINC000904641392 592301882 /nfs/dbraw/zinc/30/18/82/592301882.db2.gz URKQXQCKBFXJBU-INIZCTEOSA-N 2 0 342.447 1.790 20 0 EDADRP Cc1nc(CN(C)[C@@H]2CC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741691 592302787 /nfs/dbraw/zinc/30/27/87/592302787.db2.gz RLYIZXSELULUJT-HZPDHXFCSA-N 2 0 349.479 1.043 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903742008 592304619 /nfs/dbraw/zinc/30/46/19/592304619.db2.gz UJUJHCSSXONNJB-SCTDSRPQSA-N 2 0 330.476 1.892 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)C1 ZINC000903761561 592307264 /nfs/dbraw/zinc/30/72/64/592307264.db2.gz WCWLXYJKIWURCR-FGTMMUONSA-N 3 0 337.508 1.363 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@]4(C)CCC[NH2+]4)n3)c2)CC1 ZINC000904671384 592309308 /nfs/dbraw/zinc/30/93/08/592309308.db2.gz IVNFZGWZZWASBA-QGZVFWFLSA-N 2 0 328.420 1.482 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000906722018 592312296 /nfs/dbraw/zinc/31/22/96/592312296.db2.gz PLKFPPXLKWNCPY-CYBMUJFWSA-N 2 0 332.448 1.493 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903757049 592314820 /nfs/dbraw/zinc/31/48/20/592314820.db2.gz BBIQQFQIJBPBHT-CUSZFKRNSA-N 2 0 339.480 1.602 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793432 592317227 /nfs/dbraw/zinc/31/72/27/592317227.db2.gz DDFHVGHDDNAQIR-FUHWJXTLSA-N 2 0 345.487 1.663 20 0 EDADRP CCC1(N2CCOCC2)CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903775029 592317975 /nfs/dbraw/zinc/31/79/75/592317975.db2.gz FQFFAGLAESHJCG-QZTJIDSGSA-N 2 0 337.508 1.332 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903782197 592321589 /nfs/dbraw/zinc/32/15/89/592321589.db2.gz GTXXIWHIPFOWHI-RBUKOAKNSA-N 2 0 345.487 1.800 20 0 EDADRP NC[C@@]12CC[C@H]1CC[N@@H+]2CCCCN1C(=O)c2ccccc2C1=O ZINC000903852695 592345569 /nfs/dbraw/zinc/34/55/69/592345569.db2.gz BUFOCQGALIEBQF-LIRRHRJNSA-N 2 0 327.428 1.876 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000903881367 592360893 /nfs/dbraw/zinc/36/08/93/592360893.db2.gz ZEOIQPVZSKMTSV-QGZVFWFLSA-N 2 0 332.496 1.510 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cnn1C ZINC000903908300 592373321 /nfs/dbraw/zinc/37/33/21/592373321.db2.gz GHJACAGJZXPSKP-ZWKOTPCHSA-N 2 0 327.476 1.806 20 0 EDADRP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000903909283 592373464 /nfs/dbraw/zinc/37/34/64/592373464.db2.gz DKPVJWLSTXPCCO-LAUBAEHRSA-N 3 0 342.531 1.790 20 0 EDADRP CNC(=O)c1ccn([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)n1 ZINC000903913224 592375829 /nfs/dbraw/zinc/37/58/29/592375829.db2.gz BLEZSYODDQPKJJ-WTXIUTQJSA-N 2 0 331.464 1.410 20 0 EDADRP COc1ccc(OCC[NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903920709 592377005 /nfs/dbraw/zinc/37/70/05/592377005.db2.gz LBTFHOKEJHMVNX-HNNXBMFYSA-N 2 0 332.448 1.523 20 0 EDADRP C[C@H](CCNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906877781 592379667 /nfs/dbraw/zinc/37/96/67/592379667.db2.gz BPZPLSXYDNBPED-QGZVFWFLSA-N 2 0 346.519 1.507 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905052201 592381637 /nfs/dbraw/zinc/38/16/37/592381637.db2.gz NLYRIQBNVLWBKE-OALUTQOASA-N 2 0 336.476 1.520 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1C(=O)N1CCOCC1 ZINC000903931632 592383955 /nfs/dbraw/zinc/38/39/55/592383955.db2.gz GOVNMIIDXQQDJJ-DNVCBOLYSA-N 2 0 343.471 1.259 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)C1 ZINC000908207325 592384888 /nfs/dbraw/zinc/38/48/88/592384888.db2.gz XQJNCGSLESUMAZ-QGZVFWFLSA-N 2 0 336.455 1.038 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C1(O)CCOCC1 ZINC000905027252 592385662 /nfs/dbraw/zinc/38/56/62/592385662.db2.gz QCEIULMFSPVUQV-GOSISDBHSA-N 2 0 334.460 1.274 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c[nH]nc1-c1cccnc1)C2 ZINC000903978489 592399546 /nfs/dbraw/zinc/39/95/46/592399546.db2.gz HFLVJXYQOGVEEG-DAYGRLMNSA-N 2 0 341.415 1.184 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903977509 592399723 /nfs/dbraw/zinc/39/97/23/592399723.db2.gz REHCOBDBGSQGJS-GDBMZVCRSA-N 2 0 349.475 1.627 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc(N3CCCC3)nc1)C2 ZINC000903978941 592400603 /nfs/dbraw/zinc/40/06/03/592400603.db2.gz PBDOYBYXRALHIH-FCEWJHQRSA-N 2 0 344.459 1.394 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000905151078 592440034 /nfs/dbraw/zinc/44/00/34/592440034.db2.gz QLWFWJOPNBNMHQ-LSDHHAIUSA-N 2 0 326.510 1.351 20 0 EDADRP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)CC1 ZINC000905258194 592479724 /nfs/dbraw/zinc/47/97/24/592479724.db2.gz YBZVKMXUSCGOMO-GOSISDBHSA-N 2 0 334.460 1.525 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905293930 592486782 /nfs/dbraw/zinc/48/67/82/592486782.db2.gz BWBHXGYVUDVFGO-QGZVFWFLSA-N 2 0 327.513 1.048 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905334267 592509032 /nfs/dbraw/zinc/50/90/32/592509032.db2.gz OKNUTMPUICPQNY-UHFFFAOYSA-N 2 0 331.526 1.370 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1 ZINC000907089772 592516038 /nfs/dbraw/zinc/51/60/38/592516038.db2.gz GNHFGVNUPSPFSB-XLAORIBOSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000908503359 592523262 /nfs/dbraw/zinc/52/32/62/592523262.db2.gz IMIQOUNZQQMXFA-QGZVFWFLSA-N 2 0 336.524 1.345 20 0 EDADRP COc1ccc(C2CC2)cc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905425231 592531699 /nfs/dbraw/zinc/53/16/99/592531699.db2.gz OAXIJEMISYCBDA-GOSISDBHSA-N 2 0 333.476 1.271 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccccc1F)C2 ZINC000905503040 592546326 /nfs/dbraw/zinc/54/63/26/592546326.db2.gz MUEXGYNFVXPWHT-QQXKLLMISA-N 2 0 336.451 1.928 20 0 EDADRP C[C@@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285857 592584663 /nfs/dbraw/zinc/58/46/63/592584663.db2.gz OUGICXJNDSAHFZ-HZPDHXFCSA-N 2 0 347.507 1.828 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C[C@@]1(O)CCOC1 ZINC000905889293 592668846 /nfs/dbraw/zinc/66/88/46/592668846.db2.gz JOBCVAYOWDWBJF-MOPGFXCFSA-N 2 0 334.460 1.274 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905907698 592676694 /nfs/dbraw/zinc/67/66/94/592676694.db2.gz MTBCFOYREXHQSX-RTBURBONSA-N 2 0 335.492 1.088 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000907742807 592768292 /nfs/dbraw/zinc/76/82/92/592768292.db2.gz GYPVLXOPXRUFFD-LXPRWKDFSA-N 2 0 337.508 1.820 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@@H]([NH+](C)C)CC2)C1 ZINC000907745473 592769031 /nfs/dbraw/zinc/76/90/31/592769031.db2.gz ZAYITXVZZFEEBM-JKSUJKDBSA-N 2 0 339.480 1.204 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[NH+]1CCCCC1 ZINC000906644443 592865363 /nfs/dbraw/zinc/86/53/63/592865363.db2.gz ATUULVGNOGYDSB-AWEZNQCLSA-N 2 0 346.475 1.810 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000734273747 592958860 /nfs/dbraw/zinc/95/88/60/592958860.db2.gz LBUILRFNJAXQTK-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)c2cnn3cc(CC[NH3+])cnc23)c1 ZINC000911682474 592981192 /nfs/dbraw/zinc/98/11/92/592981192.db2.gz OKXZXRARCVJFIF-UHFFFAOYSA-N 2 0 338.415 1.592 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911736635 592993272 /nfs/dbraw/zinc/99/32/72/592993272.db2.gz WGVRABXUJAVQMB-IXDOHACOSA-N 2 0 343.427 1.389 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911736394 592993296 /nfs/dbraw/zinc/99/32/96/592993296.db2.gz UBBHORULGVPBEG-USXIJHARSA-N 2 0 343.427 1.674 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911744358 592995504 /nfs/dbraw/zinc/99/55/04/592995504.db2.gz IKWQTXGSDGREGS-NCOADZHNSA-N 2 0 343.427 1.389 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)Nc2cccc(OCC[NH3+])c2)cc1 ZINC000911761265 593006606 /nfs/dbraw/zinc/00/66/06/593006606.db2.gz NRMIOTNLZLWFAG-UHFFFAOYSA-N 2 0 343.427 1.933 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911820126 593016355 /nfs/dbraw/zinc/01/63/55/593016355.db2.gz CHXCXIIAYPKCSO-DMDPSCGWSA-N 2 0 343.393 1.950 20 0 EDADRP CN1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000911900457 593028482 /nfs/dbraw/zinc/02/84/82/593028482.db2.gz PAXDPGRJIOQOJL-MOPGFXCFSA-N 2 0 343.471 1.092 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000911925925 593034150 /nfs/dbraw/zinc/03/41/50/593034150.db2.gz LNENBXSQZUXXMC-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@@H]1CN(C(=S)NCC[NH+](C)C)CC[N@H+](Cc2ccccc2)C1 ZINC000840811072 593155830 /nfs/dbraw/zinc/15/58/30/593155830.db2.gz YNKQHVJVMIWCLM-INIZCTEOSA-N 2 0 334.533 1.876 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CN3C(=O)CCC3(C)C)CC2)CC1 ZINC000808176046 593233938 /nfs/dbraw/zinc/23/39/38/593233938.db2.gz BNIBORNDHDCJFV-UHFFFAOYSA-N 2 0 336.524 1.694 20 0 EDADRP CCC[NH+]1CCC([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC000839175506 593271118 /nfs/dbraw/zinc/27/11/18/593271118.db2.gz XCJLBOTYODQIJS-MRXNPFEDSA-N 2 0 326.481 1.866 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C(C)C)[C@@H](O)c2ccccc2)CC1 ZINC000839602996 593348110 /nfs/dbraw/zinc/34/81/10/593348110.db2.gz WBEBARVZSKXTGE-UXHICEINSA-N 2 0 347.503 1.935 20 0 EDADRP C[C@H]1C(=O)N(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H]1C ZINC000840041572 593408954 /nfs/dbraw/zinc/40/89/54/593408954.db2.gz KUOZZOFAGJDLRT-IAGOWNOFSA-N 2 0 337.508 1.883 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817936071 593650298 /nfs/dbraw/zinc/65/02/98/593650298.db2.gz MYBMXCMEXRWVLU-ICSRJNTNSA-N 2 0 346.519 1.161 20 0 EDADRP [NH3+]C1(CNC(=O)C(F)(F)C(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000818013999 593657523 /nfs/dbraw/zinc/65/75/23/593657523.db2.gz KLOBJMVICNCLHJ-UHFFFAOYSA-N 2 0 347.356 1.997 20 0 EDADRP Cc1ccccc1[C@@H](O)C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000818960872 593730546 /nfs/dbraw/zinc/73/05/46/593730546.db2.gz KCLPMSBJFAHNPJ-IBGZPJMESA-N 2 0 340.471 1.965 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000818984492 593732182 /nfs/dbraw/zinc/73/21/82/593732182.db2.gz ISPNHPOLZOSNLT-QGZVFWFLSA-N 2 0 333.407 1.984 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819134537 593740803 /nfs/dbraw/zinc/74/08/03/593740803.db2.gz HPKFAHXIKIWQCS-KRWDZBQOSA-N 2 0 327.419 1.614 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820810101 593894778 /nfs/dbraw/zinc/89/47/78/593894778.db2.gz OVUPCKSECOQTQS-LPHOPBHVSA-N 3 0 346.519 1.986 20 0 EDADRP COC(=O)[C@H]1[C@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869556 593910984 /nfs/dbraw/zinc/91/09/84/593910984.db2.gz WZHSHCSVEQQBCV-LSDHHAIUSA-N 2 0 346.418 1.618 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2-c2nn[nH]n2)[C@@H](C)C1 ZINC000821254864 593999222 /nfs/dbraw/zinc/99/92/22/593999222.db2.gz PAUUYCSTYXYLNB-GOEBONIOSA-N 2 0 344.463 1.908 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC000822897171 594118808 /nfs/dbraw/zinc/11/88/08/594118808.db2.gz BPWLATFKUIFAES-GOSISDBHSA-N 2 0 339.524 1.801 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H]1C ZINC000825803347 594251093 /nfs/dbraw/zinc/25/10/93/594251093.db2.gz SUWWSIAPRQIERY-YYIAUSFCSA-N 2 0 338.496 1.364 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)C2=CC[NH+](C)CC2)C[C@@H]1C ZINC000826879817 594593897 /nfs/dbraw/zinc/59/38/97/594593897.db2.gz NJBGUMOALYRUML-XHSDSOJGSA-N 2 0 338.496 1.387 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)C[C@@H]1C ZINC000827166115 594649935 /nfs/dbraw/zinc/64/99/35/594649935.db2.gz MFCBLTJZMCJIGI-IXDOHACOSA-N 2 0 340.512 1.469 20 0 EDADRP CCO[C@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+](C)C ZINC000831757393 594700155 /nfs/dbraw/zinc/70/01/55/594700155.db2.gz PIVAAPJJVHTUGM-LJQANCHMSA-N 2 0 347.503 1.982 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841018106 594839883 /nfs/dbraw/zinc/83/98/83/594839883.db2.gz PGAHEHVPPLBONC-MRXNPFEDSA-N 2 0 345.491 1.950 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000841323907 594885111 /nfs/dbraw/zinc/88/51/11/594885111.db2.gz DKDFEDQEIUSCGG-HOCLYGCPSA-N 2 0 334.420 1.009 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000841790498 594953540 /nfs/dbraw/zinc/95/35/40/594953540.db2.gz YIPDEHFSPLHLME-JKSUJKDBSA-N 2 0 336.480 1.025 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846016 594963724 /nfs/dbraw/zinc/96/37/24/594963724.db2.gz DJEIHKIQACUAEK-WMLDXEAASA-N 2 0 345.443 1.924 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846019 594963958 /nfs/dbraw/zinc/96/39/58/594963958.db2.gz DJEIHKIQACUAEK-YOEHRIQHSA-N 2 0 345.443 1.924 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841846981 594964268 /nfs/dbraw/zinc/96/42/68/594964268.db2.gz PFIFZEDZRPTTNR-JQWIXIFHSA-N 2 0 341.358 1.516 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847374 594964748 /nfs/dbraw/zinc/96/47/48/594964748.db2.gz VTYINCNAPFMITG-LRDDRELGSA-N 2 0 331.416 1.674 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841856538 594966407 /nfs/dbraw/zinc/96/64/07/594966407.db2.gz RWJLWKDMSXFOGH-GOSISDBHSA-N 2 0 332.492 1.965 20 0 EDADRP C[C@]1(CNC(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898523 594976849 /nfs/dbraw/zinc/97/68/49/594976849.db2.gz MUWSEVOORCRWRV-PKOBYXMFSA-N 2 0 330.476 1.935 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000841930806 594984395 /nfs/dbraw/zinc/98/43/95/594984395.db2.gz LRBQAIQLEWPQRH-SFHVURJKSA-N 2 0 330.476 1.719 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842007224 595000690 /nfs/dbraw/zinc/00/06/90/595000690.db2.gz WZKYHYSFUDEUHQ-BFHYXJOUSA-N 2 0 330.423 1.405 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842009626 595001399 /nfs/dbraw/zinc/00/13/99/595001399.db2.gz DBIHJUMBTCXJSS-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000842229919 595045864 /nfs/dbraw/zinc/04/58/64/595045864.db2.gz UGNNLXRVUQSGBX-SJORKVTESA-N 2 0 346.475 1.093 20 0 EDADRP CN1C(=O)c2ccc(NC(=O)C[N@H+](C)C3CCC([NH3+])CC3)cc2C1=O ZINC000843354055 595084251 /nfs/dbraw/zinc/08/42/51/595084251.db2.gz UZBUYDYPYMQEPH-UHFFFAOYSA-N 2 0 344.415 1.053 20 0 EDADRP C[N@H+](CC(=O)N1CCO[C@H](c2ccc(F)cc2)C1)C1CCC([NH3+])CC1 ZINC000843355384 595085490 /nfs/dbraw/zinc/08/54/90/595085490.db2.gz MORDCHULSNVJMA-ABHNRTSZSA-N 2 0 349.450 1.927 20 0 EDADRP Cn1c2nnc(C[N@H+](C)C3CCC([NH3+])CC3)n2c2ccsc2c1=O ZINC000843355544 595085538 /nfs/dbraw/zinc/08/55/38/595085538.db2.gz USRIPOVKWQHHJI-UHFFFAOYSA-N 2 0 346.460 1.344 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000843508573 595136779 /nfs/dbraw/zinc/13/67/79/595136779.db2.gz XTLARJACZRAGCT-GBESFXJTSA-N 2 0 343.471 1.488 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@@H]1[NH2+]CCc3ccccc31)C2 ZINC000846178781 595166072 /nfs/dbraw/zinc/16/60/72/595166072.db2.gz YYMMLFGVEVNAHU-IEZWGBDMSA-N 2 0 328.460 1.644 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2F)CC1 ZINC000844181028 595294021 /nfs/dbraw/zinc/29/40/21/595294021.db2.gz MKENPPHBBDZFBC-HWWDLCQESA-N 2 0 346.450 1.760 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1CCC[NH2+]CC1 ZINC000846664996 595295940 /nfs/dbraw/zinc/29/59/40/595295940.db2.gz CBBVXEWTKDXYOD-YOEHRIQHSA-N 2 0 345.443 1.924 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000846673361 595298221 /nfs/dbraw/zinc/29/82/21/595298221.db2.gz RRGONFQDNQCKQZ-QGZVFWFLSA-N 2 0 331.460 1.561 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(N2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000844217819 595305141 /nfs/dbraw/zinc/30/51/41/595305141.db2.gz NYMJZSPXLOARIH-UHFFFAOYSA-N 2 0 346.475 1.536 20 0 EDADRP [NH3+]CC1CC[NH+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000844218653 595305217 /nfs/dbraw/zinc/30/52/17/595305217.db2.gz ZDWADKFMENSQSO-UHFFFAOYSA-N 2 0 346.475 1.523 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000847409296 595413467 /nfs/dbraw/zinc/41/34/67/595413467.db2.gz SCIUECLBYCIGDB-ZWKOTPCHSA-N 2 0 331.460 1.384 20 0 EDADRP Cc1ccc(CNC(=[NH2+])NC[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000849055220 595476212 /nfs/dbraw/zinc/47/62/12/595476212.db2.gz WRQMWOYDHAPJQD-SFHVURJKSA-N 2 0 331.508 1.881 20 0 EDADRP [NH2+]=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073765 595478461 /nfs/dbraw/zinc/47/84/61/595478461.db2.gz BQVUUAOJHKFGCX-GJZGRUSLSA-N 2 0 346.431 1.647 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=[NH2+])NCc2cccc(C(F)(F)F)c2)C1 ZINC000849084895 595479321 /nfs/dbraw/zinc/47/93/21/595479321.db2.gz AGBSXESVJGMJNE-AWEZNQCLSA-N 2 0 330.354 1.386 20 0 EDADRP C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849105029 595482543 /nfs/dbraw/zinc/48/25/43/595482543.db2.gz MTBOMFPBNDOZTF-KXBFYZLASA-N 2 0 346.475 1.305 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849517931 595557099 /nfs/dbraw/zinc/55/70/99/595557099.db2.gz FRZFNDSTSWBMLE-ROUUACIJSA-N 2 0 347.507 1.256 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCCC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849540370 595559840 /nfs/dbraw/zinc/55/98/40/595559840.db2.gz FIGCIYOEPXEPNE-MSOLQXFVSA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852824875 595561279 /nfs/dbraw/zinc/56/12/79/595561279.db2.gz HGJCNSUFJDQDSH-IRXDYDNUSA-N 2 0 331.460 1.695 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000852886439 595598446 /nfs/dbraw/zinc/59/84/46/595598446.db2.gz MHJFRYFMDGYIFV-UHFFFAOYSA-N 2 0 335.492 1.647 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852895865 595603634 /nfs/dbraw/zinc/60/36/34/595603634.db2.gz LGFNCSRZXPXQPA-MPTYRVRUSA-N 2 0 344.459 1.600 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3COC(C)(C)O3)CC2)CC1 ZINC000851878552 595960234 /nfs/dbraw/zinc/96/02/34/595960234.db2.gz CQGCRAQPTHRGGK-QGZVFWFLSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851884531 595963092 /nfs/dbraw/zinc/96/30/92/595963092.db2.gz DLKZNQDUETWJHS-IBGZPJMESA-N 2 0 333.476 1.413 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000851951896 595983844 /nfs/dbraw/zinc/98/38/44/595983844.db2.gz GVBQHRHUVFIQDW-JYJNAYRXSA-N 2 0 329.485 1.534 20 0 EDADRP COc1cc(-c2noc(CC3([NH3+])CC3)n2)ccc1OCC[NH+](C)C ZINC000854145174 595989691 /nfs/dbraw/zinc/98/96/91/595989691.db2.gz NZZZMLULSLHDHJ-UHFFFAOYSA-N 2 0 332.404 1.719 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585361 596022078 /nfs/dbraw/zinc/02/20/78/596022078.db2.gz COUDMKBSJILZKT-ZWKOTPCHSA-N 2 0 346.475 1.607 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000861548324 596025255 /nfs/dbraw/zinc/02/52/55/596025255.db2.gz PDVLXXUFCYUIOG-RHSMWYFYSA-N 2 0 334.464 1.821 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861553468 596027454 /nfs/dbraw/zinc/02/74/54/596027454.db2.gz ARMOXOUPVRPNIA-OAHLLOKOSA-N 2 0 336.480 1.896 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)C[C@@H](C)[NH3+])cc1 ZINC000861554601 596028665 /nfs/dbraw/zinc/02/86/65/596028665.db2.gz SNSGMHBNKTYVJZ-OAHLLOKOSA-N 2 0 336.480 1.896 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC[C@@H]1C(F)(F)F ZINC000861646359 596056411 /nfs/dbraw/zinc/05/64/11/596056411.db2.gz QGHJCOBTQYIMAY-UTLUCORTSA-N 2 0 344.328 1.152 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861745370 596086569 /nfs/dbraw/zinc/08/65/69/596086569.db2.gz JQRCTXIJGXKCEE-RDJZCZTQSA-N 2 0 348.491 1.065 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000861754363 596090398 /nfs/dbraw/zinc/09/03/98/596090398.db2.gz FPOYGBIRIQYNRW-TZMCWYRMSA-N 2 0 340.493 1.053 20 0 EDADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)N3CC[NH+]4C[C@H](O)C[C@H]4C3)c2)C1 ZINC000857298643 596208100 /nfs/dbraw/zinc/20/81/00/596208100.db2.gz CYLZHCHTJZPSRZ-GBESFXJTSA-N 2 0 343.471 1.387 20 0 EDADRP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCCN2CC[NH+](C)CC2)n(C)n1 ZINC000852658625 596221343 /nfs/dbraw/zinc/22/13/43/596221343.db2.gz ZZNZWPPVOKMPIG-PKOBYXMFSA-N 2 0 333.524 1.667 20 0 EDADRP CC(C)Oc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707623 596303230 /nfs/dbraw/zinc/30/32/30/596303230.db2.gz AYLCXVDIFJJUEZ-NXHRZFHOSA-N 2 0 345.443 1.841 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000870866219 596382434 /nfs/dbraw/zinc/38/24/34/596382434.db2.gz WGGFHIRZYBISQM-UWVAXJGDSA-N 2 0 342.487 1.890 20 0 EDADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870874161 596385638 /nfs/dbraw/zinc/38/56/38/596385638.db2.gz WNJBWPVYXVNWJA-ZDUSSCGKSA-N 2 0 326.238 1.659 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)c1 ZINC000870883095 596388474 /nfs/dbraw/zinc/38/84/74/596388474.db2.gz ZRNMQTQNZDYWDH-UHFFFAOYSA-N 2 0 330.432 1.271 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC000870939557 596412653 /nfs/dbraw/zinc/41/26/53/596412653.db2.gz XTNHZTPEEWOFPH-HZSPNIEDSA-N 2 0 334.489 1.810 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867968415 596638228 /nfs/dbraw/zinc/63/82/28/596638228.db2.gz CNEFZZFVQKJYMF-WQAKAFBOSA-N 2 0 326.238 1.563 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865773215 596678023 /nfs/dbraw/zinc/67/80/23/596678023.db2.gz JXHPBRWZJRSZQN-DLBZAZTESA-N 2 0 342.443 1.455 20 0 EDADRP COCCC1(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCCC1 ZINC000870020375 596711524 /nfs/dbraw/zinc/71/15/24/596711524.db2.gz OJZDDPYXZIBEAF-IAGOWNOFSA-N 2 0 339.524 1.781 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868233211 596738076 /nfs/dbraw/zinc/73/80/76/596738076.db2.gz WDQYAKCOSVTGMD-UHOFOFEASA-N 2 0 330.432 1.040 20 0 EDADRP COc1ccccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866041307 596769897 /nfs/dbraw/zinc/76/98/97/596769897.db2.gz QVEKVBKKQFZNDJ-HUUCEWRRSA-N 2 0 334.464 1.898 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000868303205 596778161 /nfs/dbraw/zinc/77/81/61/596778161.db2.gz YGIDFVCRRZHEJN-IYBDPMFKSA-N 2 0 344.459 1.465 20 0 EDADRP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000872146153 596809848 /nfs/dbraw/zinc/80/98/48/596809848.db2.gz GYEAUQDXRVPZLY-BRSBDYLESA-N 2 0 337.508 1.508 20 0 EDADRP Cc1cccn2c(CN3CC[C@@H](N4C(=O)O[C@H]5C[NH2+]C[C@H]54)C3)cnc12 ZINC000872254707 596855890 /nfs/dbraw/zinc/85/58/90/596855890.db2.gz BZPGZAJPPIZWFP-BMFZPTHFSA-N 2 0 341.415 1.010 20 0 EDADRP CCOc1cccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000872255432 596856707 /nfs/dbraw/zinc/85/67/07/596856707.db2.gz WWRGKUZKBHMMCF-UAGQMJEPSA-N 2 0 331.416 1.452 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875592670 596908489 /nfs/dbraw/zinc/90/84/89/596908489.db2.gz NTMVUXNJMOEXJS-GVDBMIGSSA-N 3 0 341.544 1.096 20 0 EDADRP C[C@@H]1CN(CN2C[C@H]3CCCCN3C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000872596156 596980890 /nfs/dbraw/zinc/98/08/90/596980890.db2.gz SAZRRZDSQWOBKF-KZNAEPCWSA-N 2 0 349.523 1.192 20 0 EDADRP CCc1nn(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=S)s1 ZINC000872636867 597002937 /nfs/dbraw/zinc/00/29/37/597002937.db2.gz XOFVYCPLRZUJJR-CHWSQXEVSA-N 2 0 343.566 1.865 20 0 EDADRP COc1ccc(Cn2cc(CNC[C@@H]3CCC[N@H+](C)C3)nn2)cc1 ZINC000873048041 597170937 /nfs/dbraw/zinc/17/09/37/597170937.db2.gz NIXOGBKUPMAAAM-INIZCTEOSA-N 2 0 329.448 1.766 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N3CCC[C@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000876513539 597226158 /nfs/dbraw/zinc/22/61/58/597226158.db2.gz FGYJATCBPDEWAF-CYBMUJFWSA-N 2 0 345.447 1.114 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(Cc3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000873206000 597226983 /nfs/dbraw/zinc/22/69/83/597226983.db2.gz YMONBDAPXAICPF-INIZCTEOSA-N 2 0 334.533 1.606 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876518378 597227749 /nfs/dbraw/zinc/22/77/49/597227749.db2.gz FNTJCMAUROPOHI-XJKSGUPXSA-N 2 0 349.406 1.482 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876518113 597227915 /nfs/dbraw/zinc/22/79/15/597227915.db2.gz AKRDZGMKOPEDSK-JKSUJKDBSA-N 2 0 345.443 1.907 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000876520285 597228506 /nfs/dbraw/zinc/22/85/06/597228506.db2.gz HWVBSPUHQFKMSO-ZBFHGGJFSA-N 2 0 329.400 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000876520246 597228557 /nfs/dbraw/zinc/22/85/57/597228557.db2.gz GXOQLNNBDUGQIJ-CQSZACIVSA-N 2 0 345.443 1.876 20 0 EDADRP c1c(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873210285 597228672 /nfs/dbraw/zinc/22/86/72/597228672.db2.gz AVNAGSXPCSHNDZ-HNNXBMFYSA-N 2 0 335.517 1.938 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000873221298 597231402 /nfs/dbraw/zinc/23/14/02/597231402.db2.gz OSUQLYGCLFVWFG-CYBMUJFWSA-N 2 0 336.480 1.929 20 0 EDADRP NC(=O)COc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cc1 ZINC000873232845 597235325 /nfs/dbraw/zinc/23/53/25/597235325.db2.gz OMGGNHIHRGQZCN-QGZVFWFLSA-N 2 0 331.460 1.953 20 0 EDADRP CCOC(=O)C1([C@@H](C)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC[NH2+]CC1 ZINC000873233984 597235332 /nfs/dbraw/zinc/23/53/32/597235332.db2.gz AQHGZHIEPJCNOA-CABCVRRESA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)n1 ZINC000873311235 597253109 /nfs/dbraw/zinc/25/31/09/597253109.db2.gz ZLORRQRJVDKAHB-HNNXBMFYSA-N 2 0 348.495 1.879 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCC[C@H](C)C1 ZINC000875071774 597269767 /nfs/dbraw/zinc/26/97/67/597269767.db2.gz MTMJEMRBCSKMSA-JYJNAYRXSA-N 2 0 340.512 1.251 20 0 EDADRP CCC(CC)[C@H](CNC(=O)/C=C\[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000876716728 597302278 /nfs/dbraw/zinc/30/22/78/597302278.db2.gz LPHXWNOVOCLMOD-MHDVBENUSA-N 2 0 337.508 1.795 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000876716472 597302707 /nfs/dbraw/zinc/30/27/07/597302707.db2.gz GGJUZUBNVANSAK-JKSUJKDBSA-N 2 0 335.496 1.822 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1c(C[NH3+])cnn1C ZINC000876719557 597303104 /nfs/dbraw/zinc/30/31/04/597303104.db2.gz OGKXQYCVLMTVKW-UHFFFAOYSA-N 2 0 329.448 1.649 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000876734955 597313139 /nfs/dbraw/zinc/31/31/39/597313139.db2.gz XEWAIZNAMMBQNF-HZPDHXFCSA-N 2 0 333.480 1.576 20 0 EDADRP CC[N@H+](CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F)C(C)C ZINC000876750994 597321370 /nfs/dbraw/zinc/32/13/70/597321370.db2.gz ZLTKEKZCFSODKE-NSHDSACASA-N 2 0 344.410 1.210 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876752517 597321796 /nfs/dbraw/zinc/32/17/96/597321796.db2.gz RZPQAHNKARLXDE-WMZOPIPTSA-N 2 0 349.450 1.207 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)c3c(C[NH3+])cnn3C)CCCC2)CC1 ZINC000876758899 597326484 /nfs/dbraw/zinc/32/64/84/597326484.db2.gz NSJOAPDLVMXJCL-UHFFFAOYSA-N 2 0 349.479 1.032 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000876769373 597331644 /nfs/dbraw/zinc/33/16/44/597331644.db2.gz VOIXIKKWHNSQEE-UHFFFAOYSA-N 2 0 340.431 1.647 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)/C=C\[C@H]2CCC[NH2+]C2)CC1 ZINC000876779525 597337814 /nfs/dbraw/zinc/33/78/14/597337814.db2.gz ILAWPVBLTUCLEF-HLRDLLSLSA-N 2 0 328.460 1.933 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(CO)c2)C[C@H]1C[NH+](C)C ZINC000875242045 597349530 /nfs/dbraw/zinc/34/95/30/597349530.db2.gz RAEVGXTUNCMFTK-QZTJIDSGSA-N 2 0 348.491 1.060 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cn1 ZINC000876840742 597355590 /nfs/dbraw/zinc/35/55/90/597355590.db2.gz WURDNDZHDKQJBP-DLBZAZTESA-N 2 0 327.432 1.012 20 0 EDADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000876957860 597396470 /nfs/dbraw/zinc/39/64/70/597396470.db2.gz JJNULUUCFVCRTD-MJSXRHKHSA-N 2 0 335.492 1.549 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])c2cccc(Br)c2)C[NH2+]1 ZINC000877045957 597421051 /nfs/dbraw/zinc/42/10/51/597421051.db2.gz HEFZTINICXQOES-JIMOISOXSA-N 2 0 326.238 1.706 20 0 EDADRP O=S1(=O)CCC(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000877136918 597440411 /nfs/dbraw/zinc/44/04/11/597440411.db2.gz PREROQYYHJHPKD-UHFFFAOYSA-N 2 0 337.489 1.712 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)CCN3)C[C@H]1C[NH+](C)C ZINC000877143622 597442113 /nfs/dbraw/zinc/44/21/13/597442113.db2.gz TXRHDJHUEVLBEV-IAGOWNOFSA-N 2 0 330.476 1.466 20 0 EDADRP CC[C@@H](C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1)[NH+](CC)CC ZINC000877207385 597462646 /nfs/dbraw/zinc/46/26/46/597462646.db2.gz UVTCRZSKKYGKMD-KRWDZBQOSA-N 2 0 344.463 1.463 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C)C(C)(C)CC2)CCCO1 ZINC000875534363 597468202 /nfs/dbraw/zinc/46/82/02/597468202.db2.gz IMYHCDGJXINLRZ-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])C[C@H]2[NH3+])cc1 ZINC000877238026 597474111 /nfs/dbraw/zinc/47/41/11/597474111.db2.gz UCVDPVPZMDNQIQ-BMFAXAFESA-N 2 0 331.460 1.856 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000877266500 597483631 /nfs/dbraw/zinc/48/36/31/597483631.db2.gz GANYPMHOJWSMQI-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1 ZINC000877344304 597496660 /nfs/dbraw/zinc/49/66/60/597496660.db2.gz WSNVLKKVSUGADA-ZWKOTPCHSA-N 2 0 327.403 1.699 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877352541 597498648 /nfs/dbraw/zinc/49/86/48/597498648.db2.gz HJFOYZMSKAVORC-LSDHHAIUSA-N 2 0 343.393 1.757 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000877403097 597510672 /nfs/dbraw/zinc/51/06/72/597510672.db2.gz MZPBHJDWBNRRRI-KRWDZBQOSA-N 2 0 336.524 1.443 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000877407269 597510912 /nfs/dbraw/zinc/51/09/12/597510912.db2.gz PIHMTSYAESTYMO-ZBFHGGJFSA-N 2 0 346.479 1.245 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000877443908 597516170 /nfs/dbraw/zinc/51/61/70/597516170.db2.gz HTVHFNSMMNQUTM-XJKSGUPXSA-N 2 0 331.464 1.695 20 0 EDADRP COCC[N@H+](C[C@H](OC)C1CCOCC1)CC1CC[NH+](C)CC1 ZINC000877664530 597545895 /nfs/dbraw/zinc/54/58/95/597545895.db2.gz QKDIYZMYFZLPPB-SFHVURJKSA-N 2 0 328.497 1.718 20 0 EDADRP CN(C)c1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000877905108 597563282 /nfs/dbraw/zinc/56/32/82/597563282.db2.gz YLCVFVKEGFGIRN-HZPDHXFCSA-N 2 0 347.507 1.956 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](COc3ccccc3)C2)CC1 ZINC000878392935 597599506 /nfs/dbraw/zinc/59/95/06/597599506.db2.gz YVFGOUIODJPCPK-INIZCTEOSA-N 2 0 331.460 1.598 20 0 EDADRP CN1CC[C@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000878570313 597638986 /nfs/dbraw/zinc/63/89/86/597638986.db2.gz WQISQKJSRPAISB-HKUYNNGSSA-N 2 0 330.476 1.232 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133848 597662600 /nfs/dbraw/zinc/66/26/00/597662600.db2.gz JMNAFUGBWHEPAB-NUJGCVRESA-N 2 0 343.475 1.929 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000881627275 597663557 /nfs/dbraw/zinc/66/35/57/597663557.db2.gz XBVYVJZUERVUDX-SFHVURJKSA-N 2 0 348.535 1.633 20 0 EDADRP Cn1cc([C@H]2C[N@H+](CC(=O)NC3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000878657336 597669160 /nfs/dbraw/zinc/66/91/60/597669160.db2.gz JRBFLUTZEYRATH-MRXNPFEDSA-N 2 0 333.480 1.056 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH2+]CCC12CCC2)c1ccccc1 ZINC000883459098 597756642 /nfs/dbraw/zinc/75/66/42/597756642.db2.gz JYJDLHINQCLIMT-SFHVURJKSA-N 2 0 344.503 1.624 20 0 EDADRP O[C@]12C[C@H]1C[NH+](CC(C[N@@H+]1CC[C@@]3(O)C[C@H]3C1)C1CCCC1)CC2 ZINC000878950617 597764832 /nfs/dbraw/zinc/76/48/32/597764832.db2.gz YDBBFDVOUIDGKP-VNTMZGSJSA-N 2 0 334.504 1.706 20 0 EDADRP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001369 597781179 /nfs/dbraw/zinc/78/11/79/597781179.db2.gz VPXLFQJSQLYHKH-IRXDYDNUSA-N 2 0 328.497 1.333 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(OCC(N)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000880263643 597886967 /nfs/dbraw/zinc/88/69/67/597886967.db2.gz ZITKDOASCOMGAF-OAHLLOKOSA-N 2 0 340.427 1.656 20 0 EDADRP [NH3+]CC1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884012111 597968164 /nfs/dbraw/zinc/96/81/64/597968164.db2.gz ZLTIOOMEWZLYDU-CYBMUJFWSA-N 2 0 326.238 1.646 20 0 EDADRP C[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884029503 597972575 /nfs/dbraw/zinc/97/25/75/597972575.db2.gz OAVYOJGRZARFFM-ZDUSSCGKSA-N 2 0 326.238 1.659 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C)C1CC1 ZINC000884128560 598003204 /nfs/dbraw/zinc/00/32/04/598003204.db2.gz HDADSJWIQAEOKW-OAHLLOKOSA-N 2 0 331.464 1.786 20 0 EDADRP C[C@@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000884188340 598020139 /nfs/dbraw/zinc/02/01/39/598020139.db2.gz FPFLHUSILKGDOX-CVEARBPZSA-N 2 0 345.491 1.341 20 0 EDADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000884200175 598026002 /nfs/dbraw/zinc/02/60/02/598026002.db2.gz VPIABZPVWKBACH-ZDUSSCGKSA-N 2 0 329.828 1.583 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000884221378 598033523 /nfs/dbraw/zinc/03/35/23/598033523.db2.gz QLYZDZFAKGAVKE-HNNXBMFYSA-N 2 0 325.522 1.982 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CC2(C)C)CC1 ZINC000884325491 598068130 /nfs/dbraw/zinc/06/81/30/598068130.db2.gz RUZPDSDUNNXUNM-RHSMWYFYSA-N 2 0 330.476 1.969 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2C[C@@H]([NH3+])Cc3ccccc32)c1 ZINC000884346672 598076576 /nfs/dbraw/zinc/07/65/76/598076576.db2.gz WTICZLGEUYUISC-INIZCTEOSA-N 2 0 325.412 1.815 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884381381 598087225 /nfs/dbraw/zinc/08/72/25/598087225.db2.gz DFVZBJCLOVICNM-QGZVFWFLSA-N 2 0 345.443 1.530 20 0 EDADRP CN(C(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C1(C[NH3+])CCCCC1 ZINC000884490683 598119624 /nfs/dbraw/zinc/11/96/24/598119624.db2.gz CUBPMPAQURRARK-LSDHHAIUSA-N 2 0 338.496 1.095 20 0 EDADRP CC1CC[NH+](CCNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000914074334 695069117 /nfs/dbraw/zinc/06/91/17/695069117.db2.gz CQGKFHSUPGXCDT-HZPDHXFCSA-N 2 0 340.537 1.597 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1S(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914097932 695094509 /nfs/dbraw/zinc/09/45/09/695094509.db2.gz OQVZPBFVXJEDMB-BBWFWOEESA-N 2 0 341.521 1.361 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NS(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000914226089 695290997 /nfs/dbraw/zinc/29/09/97/695290997.db2.gz BIOUFQSJDKVAQS-JYJNAYRXSA-N 2 0 329.510 1.265 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000914314239 695351651 /nfs/dbraw/zinc/35/16/51/695351651.db2.gz PSFLKSVVBQFGID-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(Cc1cnc[nH]1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@H]2C1 ZINC000992821895 695378821 /nfs/dbraw/zinc/37/88/21/695378821.db2.gz PPJSVMIJFUTLSE-VBNZEHGJSA-N 2 0 329.404 1.357 20 0 EDADRP CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC000992835830 695395890 /nfs/dbraw/zinc/39/58/90/695395890.db2.gz RPVACLNIAUUROX-DJIMGWMZSA-N 2 0 333.480 1.295 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3nccs3)[C@@H]2C1 ZINC000992907879 695444767 /nfs/dbraw/zinc/44/47/67/695444767.db2.gz OUAUEIHGRNTACO-XHSDSOJGSA-N 2 0 348.516 1.956 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857470 700015381 /nfs/dbraw/zinc/01/53/81/700015381.db2.gz VWIRUNXXKJDXAB-KGXSXCIVSA-N 2 0 347.503 1.478 20 0 EDADRP C[C@H]1CCCC[C@H]1OCCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263835 696075876 /nfs/dbraw/zinc/07/58/76/696075876.db2.gz BWTUDAICCZBAJH-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1CCn1cccn1 ZINC000993683169 696306851 /nfs/dbraw/zinc/30/68/51/696306851.db2.gz LMOOQDRYVYBJTH-DLBZAZTESA-N 2 0 347.507 1.727 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801907 696378317 /nfs/dbraw/zinc/37/83/17/696378317.db2.gz DDZBAXBAZFSPKR-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H]1C ZINC000993980711 696480499 /nfs/dbraw/zinc/48/04/99/696480499.db2.gz BPGUIARICAVKMB-WBVHZDCISA-N 2 0 335.496 1.828 20 0 EDADRP Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c1 ZINC000994246095 696626157 /nfs/dbraw/zinc/62/61/57/696626157.db2.gz ASOMCPWDCISASW-FUHWJXTLSA-N 2 0 342.487 1.955 20 0 EDADRP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008466 700110364 /nfs/dbraw/zinc/11/03/64/700110364.db2.gz OBJNNZXBDFKZRU-INIZCTEOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CCCN(Cc2cnn(C)c2)[C@@H]1C ZINC000994425952 696848065 /nfs/dbraw/zinc/84/80/65/696848065.db2.gz SIAFMLDZNQAILL-CJNGLKHVSA-N 2 0 330.436 1.094 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)c1 ZINC001031433049 697094412 /nfs/dbraw/zinc/09/44/12/697094412.db2.gz CXYCMWDELTUMOK-INIZCTEOSA-N 2 0 331.460 1.589 20 0 EDADRP COC[C@@H](C)[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001040829860 697175723 /nfs/dbraw/zinc/17/57/23/697175723.db2.gz IQNYBDWHUOIGSD-MRXNPFEDSA-N 2 0 337.508 1.678 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)/C=C/Cl)C2)CC1 ZINC000918906674 697222387 /nfs/dbraw/zinc/22/23/87/697222387.db2.gz QNTVZMSWVDOMOU-GWJCSSMESA-N 2 0 328.888 1.985 20 0 EDADRP Cc1c(C(=O)N2CC[NH+](CC[C@H]3CCOC3)CC2)ccc2c[nH+]cn21 ZINC000949022424 697342164 /nfs/dbraw/zinc/34/21/64/697342164.db2.gz FDCQDNDAUWXXAT-INIZCTEOSA-N 2 0 342.443 1.827 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031667088 697448405 /nfs/dbraw/zinc/44/84/05/697448405.db2.gz XLGSYZJDLMNHBP-MRXNPFEDSA-N 2 0 336.505 1.606 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674995 697484349 /nfs/dbraw/zinc/48/43/49/697484349.db2.gz RMVHRWIRGKZKBA-LJQANCHMSA-N 2 0 327.472 1.619 20 0 EDADRP O=C(NCC1C[NH+](C[C@H](O)C2CCCCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675293 697484964 /nfs/dbraw/zinc/48/49/64/697484964.db2.gz BOEDLXLGWQYFGN-OALUTQOASA-N 2 0 349.519 1.317 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000921368480 697574786 /nfs/dbraw/zinc/57/47/86/697574786.db2.gz PESYSHUEVGITIJ-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000940114835 700229842 /nfs/dbraw/zinc/22/98/42/700229842.db2.gz BTGIFJOECUMAAR-INIZCTEOSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCc3ccnn3C)C2)CC1 ZINC001032095305 698650371 /nfs/dbraw/zinc/65/03/71/698650371.db2.gz VPYMJAIETCEICC-UHFFFAOYSA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)CC1 ZINC001032095390 698651162 /nfs/dbraw/zinc/65/11/62/698651162.db2.gz YBDQUNBJHGIGOI-UYAOXDASSA-N 2 0 349.519 1.581 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)O1 ZINC001031764899 699049936 /nfs/dbraw/zinc/04/99/36/699049936.db2.gz OGWNMGCREMFBRD-NVXWUHKLSA-N 2 0 335.492 1.478 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939063365 699109017 /nfs/dbraw/zinc/10/90/17/699109017.db2.gz DZFPQRPCZLMCGG-PBHICJAKSA-N 2 0 333.480 1.181 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939055110 699115735 /nfs/dbraw/zinc/11/57/35/699115735.db2.gz UJTZBCHINWFQHX-ACJLOTCBSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)s1 ZINC000939064409 699131709 /nfs/dbraw/zinc/13/17/09/699131709.db2.gz WANOHCQYZVRSLF-DOMZBBRYSA-N 2 0 336.505 1.730 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCC(F)(F)C2)C1 ZINC001031774530 699146303 /nfs/dbraw/zinc/14/63/03/699146303.db2.gz AQPWOPZEVIRWMV-UKRRQHHQSA-N 2 0 329.435 1.954 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941545337 701575996 /nfs/dbraw/zinc/57/59/96/701575996.db2.gz YEDCTYSLDIJYFB-MRXNPFEDSA-N 2 0 336.524 1.203 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939127033 699204644 /nfs/dbraw/zinc/20/46/44/699204644.db2.gz AXYOWXVRMQYCNK-GUYCJALGSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939259927 699438003 /nfs/dbraw/zinc/43/80/03/699438003.db2.gz XLUBPSRQBMYNJX-QAPCUYQASA-N 2 0 347.507 1.131 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1)c1ccn2c[nH+]cc2c1 ZINC001031817496 699532213 /nfs/dbraw/zinc/53/22/13/699532213.db2.gz IVJBPDMHMHTJNR-QFBILLFUSA-N 2 0 340.427 1.423 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)on1 ZINC000939386827 699539476 /nfs/dbraw/zinc/53/94/76/699539476.db2.gz DKSIVSJNUHJLIJ-PBHICJAKSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939395331 699545483 /nfs/dbraw/zinc/54/54/83/699545483.db2.gz GLJHWVQNSLAAIN-RHSMWYFYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939396530 699546430 /nfs/dbraw/zinc/54/64/30/699546430.db2.gz JXSTYWMJHJWLFD-AEFFLSMTSA-N 2 0 347.507 1.131 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)n1 ZINC000939398931 699548216 /nfs/dbraw/zinc/54/82/16/699548216.db2.gz TYTSQYWNAYLOKG-AEFFLSMTSA-N 2 0 347.507 1.571 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]CCn3cccn3)C2)CC1 ZINC000939445648 699578687 /nfs/dbraw/zinc/57/86/87/699578687.db2.gz BKNLRRROKIOZHU-FUHWJXTLSA-N 2 0 347.507 1.440 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000941634414 701601353 /nfs/dbraw/zinc/60/13/53/701601353.db2.gz FVEKXZJAAGFUPT-UHFFFAOYSA-N 2 0 348.535 1.345 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000941639732 701603278 /nfs/dbraw/zinc/60/32/78/701603278.db2.gz XNLKTUFHPCMHEE-IRXDYDNUSA-N 2 0 336.524 1.203 20 0 EDADRP Cc1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(C)n1 ZINC000939753511 699903197 /nfs/dbraw/zinc/90/31/97/699903197.db2.gz GENLVIVNHKDLNN-KDOFPFPSSA-N 2 0 330.476 1.731 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939754145 699904307 /nfs/dbraw/zinc/90/43/07/699904307.db2.gz LIOPDGUQYPICKJ-SUMWQHHRSA-N 2 0 334.464 1.578 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939756353 699922871 /nfs/dbraw/zinc/92/28/71/699922871.db2.gz UFIHOHZVXZUHKB-CXAGYDPISA-N 2 0 343.431 1.255 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000940144868 700274597 /nfs/dbraw/zinc/27/45/97/700274597.db2.gz QJZSCFJTVXVIDL-UHFFFAOYSA-N 2 0 330.436 1.247 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)C1CC1 ZINC000940148918 700281359 /nfs/dbraw/zinc/28/13/59/700281359.db2.gz GHDXUPQAOWOAOY-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cc(OC)no2)CC1)[NH+](C)C ZINC000940176616 700309099 /nfs/dbraw/zinc/30/90/99/700309099.db2.gz NQPHZPOSAQXPNK-CQSZACIVSA-N 2 0 338.452 1.494 20 0 EDADRP Cn1cnnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995056405 700406915 /nfs/dbraw/zinc/40/69/15/700406915.db2.gz RBJSUVIBNCXIPR-LSDHHAIUSA-N 2 0 348.495 1.064 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)no1 ZINC000940328073 700505715 /nfs/dbraw/zinc/50/57/15/700505715.db2.gz FEXWGZJPKNPEST-AWEZNQCLSA-N 2 0 334.464 1.938 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000940329170 700508387 /nfs/dbraw/zinc/50/83/87/700508387.db2.gz QTVZXYZFZHMDEZ-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472236 700657557 /nfs/dbraw/zinc/65/75/57/700657557.db2.gz OLTDHNBDSRZXCP-HOTGVXAUSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995077484 700660688 /nfs/dbraw/zinc/66/06/88/700660688.db2.gz HIOZXQSLQQCSEH-HOCLYGCPSA-N 2 0 334.464 1.699 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC000940457633 700661110 /nfs/dbraw/zinc/66/11/10/700661110.db2.gz NNAFFXRPAYNJJH-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1conc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995079929 700695182 /nfs/dbraw/zinc/69/51/82/700695182.db2.gz PWCFHWYWEYEGRN-ZBFHGGJFSA-N 2 0 334.464 1.699 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169897 701668388 /nfs/dbraw/zinc/66/83/88/701668388.db2.gz VZJLJQDHFYEVMJ-FUHWJXTLSA-N 2 0 342.487 1.860 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC000995099830 700886050 /nfs/dbraw/zinc/88/60/50/700886050.db2.gz APNGYFPTYHDRCC-GJZGRUSLSA-N 2 0 349.479 1.484 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865435 700947386 /nfs/dbraw/zinc/94/73/86/700947386.db2.gz YQLHYGDDOXVGQG-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000940973878 701016029 /nfs/dbraw/zinc/01/60/29/701016029.db2.gz YKUQQQFSUKBGRG-HZPDHXFCSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941025997 701065246 /nfs/dbraw/zinc/06/52/46/701065246.db2.gz HQHSYINAUUHONO-SJORKVTESA-N 2 0 347.507 1.442 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029704 701070461 /nfs/dbraw/zinc/07/04/61/701070461.db2.gz ZIHNXBOKJXAJHI-HOTGVXAUSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031925858 701129765 /nfs/dbraw/zinc/12/97/65/701129765.db2.gz QCHCMDAXKCJKRT-XIRDDKMYSA-N 2 0 337.508 1.580 20 0 EDADRP CC1(C)C[N@H+](CCO)CC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000941157891 701221927 /nfs/dbraw/zinc/22/19/27/701221927.db2.gz IROSCFXNATWLJW-KRWDZBQOSA-N 2 0 337.508 1.317 20 0 EDADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)ncn1 ZINC000941217779 701403915 /nfs/dbraw/zinc/40/39/15/701403915.db2.gz SDBYQPFHXFNBQS-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218195 701408786 /nfs/dbraw/zinc/40/87/86/701408786.db2.gz WZAPCQWKUQEYGP-HZPDHXFCSA-N 2 0 333.480 1.089 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995137637 701449786 /nfs/dbraw/zinc/44/97/86/701449786.db2.gz YVMAJCPKXRBVIX-DLBZAZTESA-N 2 0 345.491 1.583 20 0 EDADRP Cc1nc(C(C)C)oc1CN1CC(CNC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)C1 ZINC001031979099 702043224 /nfs/dbraw/zinc/04/32/24/702043224.db2.gz YYVOMYBHUPUTRK-XJKSGUPXSA-N 2 0 348.491 1.852 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1cnns1 ZINC000995824240 702095241 /nfs/dbraw/zinc/09/52/41/702095241.db2.gz NQOJQKGOMQXFLI-LSDHHAIUSA-N 2 0 349.504 1.207 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)C1CC1 ZINC000995896637 702201139 /nfs/dbraw/zinc/20/11/39/702201139.db2.gz PHVLQUJDEQILSF-SJORKVTESA-N 2 0 348.466 1.888 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995890079 702230699 /nfs/dbraw/zinc/23/06/99/702230699.db2.gz YURSDGBYVAINDJ-HNNXBMFYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)on1 ZINC000995890503 702231824 /nfs/dbraw/zinc/23/18/24/702231824.db2.gz BNVUHSUXDNVXDX-CVEARBPZSA-N 2 0 334.464 1.650 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1)[NH+](C)C ZINC000995921794 702244266 /nfs/dbraw/zinc/24/42/66/702244266.db2.gz CFUOXSMDUZDNQO-CVEARBPZSA-N 2 0 335.496 1.333 20 0 EDADRP COc1cccc(CCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186122 702315320 /nfs/dbraw/zinc/31/53/20/702315320.db2.gz IUPUFEHEPOZAHV-SFHVURJKSA-N 2 0 345.487 1.628 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)CC1 ZINC001032666189 706679548 /nfs/dbraw/zinc/67/95/48/706679548.db2.gz YSXHHGGAYQTBSX-SQNIBIBYSA-N 2 0 335.492 1.430 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCOC2)CC1 ZINC001032666120 706679685 /nfs/dbraw/zinc/67/96/85/706679685.db2.gz WYWOOLQBPLICRZ-SQNIBIBYSA-N 2 0 335.492 1.430 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999225526 706682548 /nfs/dbraw/zinc/68/25/48/706682548.db2.gz VDOPSKUNFMABGJ-UHFFFAOYSA-N 2 0 333.480 1.374 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999225624 706684055 /nfs/dbraw/zinc/68/40/55/706684055.db2.gz YNQJDEOPHHUCEP-KLAILNCOSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H]([NH2+]C[C@H]2CCOC2)C(C)(C)C1 ZINC000996199451 702625730 /nfs/dbraw/zinc/62/57/30/702625730.db2.gz SPKIJWWKTNPDSH-GDBMZVCRSA-N 2 0 349.475 1.818 20 0 EDADRP CCn1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995205791 702629324 /nfs/dbraw/zinc/62/93/24/702629324.db2.gz CIMOKVKOQFMSKU-JKSUJKDBSA-N 2 0 348.495 1.077 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)CC1 ZINC000996221432 702632745 /nfs/dbraw/zinc/63/27/45/702632745.db2.gz ITCBMBCCISIORW-AWEZNQCLSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000996244958 702648847 /nfs/dbraw/zinc/64/88/47/702648847.db2.gz GYDRNNDPEYTVBN-JKSUJKDBSA-N 2 0 336.480 1.896 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)o1 ZINC000996244955 702649026 /nfs/dbraw/zinc/64/90/26/702649026.db2.gz GYDRNNDPEYTVBN-HZPDHXFCSA-N 2 0 336.480 1.896 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c(C)o1 ZINC000995209703 702676148 /nfs/dbraw/zinc/67/61/48/702676148.db2.gz LAVPLEWTRCAESQ-CVEARBPZSA-N 2 0 334.464 1.762 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996299669 702690256 /nfs/dbraw/zinc/69/02/56/702690256.db2.gz BYMFULWIKKJJOS-HOTGVXAUSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)on1 ZINC000996300052 702691049 /nfs/dbraw/zinc/69/10/49/702691049.db2.gz JFYUYCMACWHBPN-HOCLYGCPSA-N 2 0 334.464 1.794 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996299928 702691219 /nfs/dbraw/zinc/69/12/19/702691219.db2.gz GWOYWJLZXACQFJ-NVXWUHKLSA-N 2 0 347.507 1.714 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300463 702692226 /nfs/dbraw/zinc/69/22/26/702692226.db2.gz MPPQGIKFYRQBLQ-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)nn2)C(C)(C)C1)[NH+](C)C ZINC000996315978 702703991 /nfs/dbraw/zinc/70/39/91/702703991.db2.gz VYPWIEMFHNNCDP-GJZGRUSLSA-N 2 0 349.479 1.152 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)[NH+](C)C ZINC000996315953 702704099 /nfs/dbraw/zinc/70/40/99/702704099.db2.gz VHBHQBQCBJEJQN-JKSUJKDBSA-N 2 0 336.455 1.888 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(OC)ccn2)C(C)(C)C1)[NH+](C)C ZINC000996315854 702704172 /nfs/dbraw/zinc/70/41/72/702704172.db2.gz SZZGNTKKDWPWKR-DLBZAZTESA-N 2 0 348.491 1.757 20 0 EDADRP Cc1cncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995219812 702761616 /nfs/dbraw/zinc/76/16/16/702761616.db2.gz ZJGQXXIZCIWXBH-AEFFLSMTSA-N 2 0 330.476 1.860 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996465156 702792487 /nfs/dbraw/zinc/79/24/87/702792487.db2.gz RJEPQWHHCNXLOT-QGZVFWFLSA-N 2 0 334.464 1.936 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479060 702810567 /nfs/dbraw/zinc/81/05/67/702810567.db2.gz VJWXNDHFLMETDX-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996524409 702841053 /nfs/dbraw/zinc/84/10/53/702841053.db2.gz PSSMYOYFSXJJAD-HOTGVXAUSA-N 2 0 337.508 1.602 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](CC(C)C)C2)CC1 ZINC000948434642 702841493 /nfs/dbraw/zinc/84/14/93/702841493.db2.gz DINBVZXGJMNAKT-QZTJIDSGSA-N 2 0 339.524 1.924 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996515016 702850575 /nfs/dbraw/zinc/85/05/75/702850575.db2.gz PEFCPKDVMFCGCC-HZPDHXFCSA-N 2 0 333.480 1.052 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)C1 ZINC000996518561 702854239 /nfs/dbraw/zinc/85/42/39/702854239.db2.gz KWEYAKHSJWVSJW-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996562115 702876059 /nfs/dbraw/zinc/87/60/59/702876059.db2.gz TVTVZWNGIYSODZ-GOSISDBHSA-N 2 0 335.492 1.335 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996559837 702877892 /nfs/dbraw/zinc/87/78/92/702877892.db2.gz FWSKEMDVWIIFHZ-INIZCTEOSA-N 2 0 334.489 1.566 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996606517 702910045 /nfs/dbraw/zinc/91/00/45/702910045.db2.gz ABXVEYLJHQPUMM-WBVHZDCISA-N 2 0 347.507 1.742 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610773 702915765 /nfs/dbraw/zinc/91/57/65/702915765.db2.gz KDDAFVXWAUQYSG-INIZCTEOSA-N 2 0 333.480 1.325 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996613566 702918828 /nfs/dbraw/zinc/91/88/28/702918828.db2.gz VWEUTYQPIJEREQ-QGZVFWFLSA-N 2 0 330.476 1.812 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616775 702923946 /nfs/dbraw/zinc/92/39/46/702923946.db2.gz UISSZDQPXUEBNH-KBPBESRZSA-N 2 0 329.435 1.810 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996651791 702941704 /nfs/dbraw/zinc/94/17/04/702941704.db2.gz CVNNBDXXCWKYAK-KRWDZBQOSA-N 2 0 333.480 1.375 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CCO1 ZINC000996661745 702953959 /nfs/dbraw/zinc/95/39/59/702953959.db2.gz AAZLYDWRNAEAQZ-CVEARBPZSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC000996658407 702954802 /nfs/dbraw/zinc/95/48/02/702954802.db2.gz BIRNSZOAWNWCTM-WMLDXEAASA-N 2 0 333.476 1.569 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1 ZINC000996661147 702958576 /nfs/dbraw/zinc/95/85/76/702958576.db2.gz LQDQQKDHAWZXST-MAUKXSAKSA-N 2 0 345.491 1.993 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000996663951 702961874 /nfs/dbraw/zinc/96/18/74/702961874.db2.gz BNFYUEVSSPETDS-HNNXBMFYSA-N 2 0 345.491 1.911 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996672266 702973498 /nfs/dbraw/zinc/97/34/98/702973498.db2.gz CIJSSYKDMRGVEX-IRXDYDNUSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1ncsc1CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032315862 702980548 /nfs/dbraw/zinc/98/05/48/702980548.db2.gz YUYNCCROTYXFAZ-KKUMJFAQSA-N 2 0 334.489 1.373 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)[NH+](C)C ZINC000996688973 702986423 /nfs/dbraw/zinc/98/64/23/702986423.db2.gz PUDLFEUMVVDJAL-KRWDZBQOSA-N 2 0 336.455 1.888 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH2+]CCO)C(C)(C)C2)o1 ZINC000996711925 703006817 /nfs/dbraw/zinc/00/68/17/703006817.db2.gz JQAVFABNDNPQEA-INIZCTEOSA-N 2 0 337.464 1.554 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996718338 703012139 /nfs/dbraw/zinc/01/21/39/703012139.db2.gz NMDAJLHFUDIMLJ-SJLPKXTDSA-N 2 0 345.491 1.518 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996762704 703054764 /nfs/dbraw/zinc/05/47/64/703054764.db2.gz LVEGZKBEEFQUTD-UHFFFAOYSA-N 2 0 325.372 1.717 20 0 EDADRP Cc1ccnc(CN2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596612 703110924 /nfs/dbraw/zinc/11/09/24/703110924.db2.gz CVHJODJMMBGLEJ-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC000996923270 703193990 /nfs/dbraw/zinc/19/39/90/703193990.db2.gz RXSCGCRACJBJOJ-BBWFWOEESA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)c1 ZINC000996994735 703251456 /nfs/dbraw/zinc/25/14/56/703251456.db2.gz IUWQTPUDBIGSJJ-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC000996999395 703256288 /nfs/dbraw/zinc/25/62/88/703256288.db2.gz NZSKJVACCRBUCV-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997004205 703261325 /nfs/dbraw/zinc/26/13/25/703261325.db2.gz CBIXOBAAUMFOTD-DOMZBBRYSA-N 2 0 329.435 1.810 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997013452 703273281 /nfs/dbraw/zinc/27/32/81/703273281.db2.gz ZOJTZUXRXXDELM-DOMZBBRYSA-N 2 0 336.505 1.730 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000997058512 703303971 /nfs/dbraw/zinc/30/39/71/703303971.db2.gz RVGFBYFHOIMGSA-UHFFFAOYSA-N 2 0 347.507 1.716 20 0 EDADRP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032406002 703431973 /nfs/dbraw/zinc/43/19/73/703431973.db2.gz UDQOXXVEJQHPFF-NJAFHUGGSA-N 2 0 335.492 1.309 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)nn1 ZINC000997176639 703461181 /nfs/dbraw/zinc/46/11/81/703461181.db2.gz AEIDTSPPVHKEPA-PBHICJAKSA-N 2 0 348.495 1.016 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997185003 703473961 /nfs/dbraw/zinc/47/39/61/703473961.db2.gz OKMJPDRDDHECGS-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)o1 ZINC000997185259 703474142 /nfs/dbraw/zinc/47/41/42/703474142.db2.gz FSWGWFBVBLNBHQ-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000997185508 703474562 /nfs/dbraw/zinc/47/45/62/703474562.db2.gz HSQXTSHLWJEPRL-UHFFFAOYSA-N 2 0 345.472 1.999 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997187323 703476842 /nfs/dbraw/zinc/47/68/42/703476842.db2.gz XRMUNRPJIILRPT-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)on1 ZINC000997188029 703477698 /nfs/dbraw/zinc/47/76/98/703477698.db2.gz YHTMYGJPZDNISK-ZDUSSCGKSA-N 2 0 336.436 1.106 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997366008 703599689 /nfs/dbraw/zinc/59/96/89/703599689.db2.gz XJXIZGOOWFFESZ-QGZVFWFLSA-N 2 0 333.480 1.375 20 0 EDADRP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC1CC[NH+](C)CC1 ZINC001032705631 706755873 /nfs/dbraw/zinc/75/58/73/706755873.db2.gz CSRNWTVWTDFDPE-KKUMJFAQSA-N 2 0 327.444 1.130 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1)[NH+](C)C ZINC001032459989 703650422 /nfs/dbraw/zinc/65/04/22/703650422.db2.gz WBVUHADWQLCSGK-OWSLCNJRSA-N 2 0 337.508 1.674 20 0 EDADRP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1)OC ZINC000997389290 703657280 /nfs/dbraw/zinc/65/72/80/703657280.db2.gz DTALMCMKONRTDC-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000997420337 703670258 /nfs/dbraw/zinc/67/02/58/703670258.db2.gz HJTOKPFKFGUREI-CRAIPNDOSA-N 2 0 347.507 1.131 20 0 EDADRP CCc1nocc1C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997420404 703670305 /nfs/dbraw/zinc/67/03/05/703670305.db2.gz INLLGOVQYOFVMX-ZBFHGGJFSA-N 2 0 348.491 1.905 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001032471637 703687071 /nfs/dbraw/zinc/68/70/71/703687071.db2.gz CNEHPIBHVPIUHX-SQNIBIBYSA-N 2 0 347.503 1.574 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032478360 703708523 /nfs/dbraw/zinc/70/85/23/703708523.db2.gz CFYJCJAGIMQBGX-SOUVJXGZSA-N 2 0 327.419 1.801 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCF)CC1 ZINC000997584400 703871561 /nfs/dbraw/zinc/87/15/61/703871561.db2.gz NGENEFFUMRGSDL-YOEHRIQHSA-N 2 0 325.472 1.905 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000997604748 703900857 /nfs/dbraw/zinc/90/08/57/703900857.db2.gz CFQXESNTDSTZDL-MRXNPFEDSA-N 2 0 336.505 1.874 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997608268 703905274 /nfs/dbraw/zinc/90/52/74/703905274.db2.gz TWSRBTXSOQUFDN-MRXNPFEDSA-N 2 0 333.480 1.325 20 0 EDADRP Cc1noc(C)c1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033091550 704166767 /nfs/dbraw/zinc/16/67/67/704166767.db2.gz KVFPFDJYOKSGGO-FVQBIDKESA-N 2 0 334.464 1.664 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C2)cn1 ZINC001033093188 704170016 /nfs/dbraw/zinc/17/00/16/704170016.db2.gz XWUDNYQQKDLNKH-KBAYOESNSA-N 2 0 347.507 1.318 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591340 704192013 /nfs/dbraw/zinc/19/20/13/704192013.db2.gz UCOLPBBKYQAVHY-KANFNMMFSA-N 2 0 349.519 1.534 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC[C@@H]2C1 ZINC000946595302 704260133 /nfs/dbraw/zinc/26/01/33/704260133.db2.gz RTAPCACBPQKQSU-IGKNDFSCSA-N 2 0 337.508 1.532 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCOC2)CC1 ZINC001032711080 706803608 /nfs/dbraw/zinc/80/36/08/706803608.db2.gz GZQOODGOYWNKIJ-SZMVWBNQSA-N 2 0 335.492 1.428 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999301792 706804937 /nfs/dbraw/zinc/80/49/37/706804937.db2.gz CHFGPVRYQOFGMU-WBVHZDCISA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598068 704310873 /nfs/dbraw/zinc/31/08/73/704310873.db2.gz WQEWUNFTJSFESG-XDNAFOTISA-N 2 0 335.492 1.428 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308064 706808941 /nfs/dbraw/zinc/80/89/41/706808941.db2.gz OUHDNVDPAMXYPT-MSOLQXFVSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000999309769 706812587 /nfs/dbraw/zinc/81/25/87/706812587.db2.gz VWHIMKRMRKCBSG-AEFFLSMTSA-N 2 0 347.507 1.684 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000922852620 704438796 /nfs/dbraw/zinc/43/87/96/704438796.db2.gz MLUZOBOXIHGFSX-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2COCCN2C2CCCC2)CC1 ZINC000997725498 704621644 /nfs/dbraw/zinc/62/16/44/704621644.db2.gz GANFUPOGDRANMS-YJBOKZPZSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997778496 704680843 /nfs/dbraw/zinc/68/08/43/704680843.db2.gz ZGAUPWWALQECLM-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000997785802 704690108 /nfs/dbraw/zinc/69/01/08/704690108.db2.gz XKMJNSXUFCZLFI-GOSISDBHSA-N 2 0 346.475 1.653 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)CC[N@@H+]1C ZINC000997792431 704701091 /nfs/dbraw/zinc/70/10/91/704701091.db2.gz GRDGGGGOJJUDOX-ZWKOTPCHSA-N 2 0 347.507 1.479 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000997831454 704749390 /nfs/dbraw/zinc/74/93/90/704749390.db2.gz SHYVLOPBMXVSBJ-PXNSSMCTSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997830703 704750960 /nfs/dbraw/zinc/75/09/60/704750960.db2.gz MJBCCEBOMXZPSX-MRXNPFEDSA-N 2 0 335.452 1.046 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000997837461 704755186 /nfs/dbraw/zinc/75/51/86/704755186.db2.gz TWOXHSIEFKENBM-HOTGVXAUSA-N 2 0 335.492 1.335 20 0 EDADRP Cn1cnnc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997840184 704756671 /nfs/dbraw/zinc/75/66/71/704756671.db2.gz MXXADRIFDSZLBE-INIZCTEOSA-N 2 0 348.495 1.018 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944919657 704771792 /nfs/dbraw/zinc/77/17/92/704771792.db2.gz PKLLSPUHNYZKBH-WMZOPIPTSA-N 2 0 347.507 1.368 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000997861120 704771818 /nfs/dbraw/zinc/77/18/18/704771818.db2.gz IGEKMKLXCOGSCT-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946242 704799372 /nfs/dbraw/zinc/79/93/72/704799372.db2.gz VYPKKMJOFWDLIM-YJBOKZPZSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000998081655 705303006 /nfs/dbraw/zinc/30/30/06/705303006.db2.gz KZRIXPHTRKTPKT-CQSZACIVSA-N 2 0 334.464 1.653 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000998080427 705305472 /nfs/dbraw/zinc/30/54/72/705305472.db2.gz AINJWBLLLJPYRI-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000998082461 705309489 /nfs/dbraw/zinc/30/94/89/705309489.db2.gz PPUWEHYPWCHSGB-AEFFLSMTSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000998083574 705312521 /nfs/dbraw/zinc/31/25/21/705312521.db2.gz WGBRHGZTDSVOLO-OAHLLOKOSA-N 2 0 345.491 1.598 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000998266762 705635941 /nfs/dbraw/zinc/63/59/41/705635941.db2.gz QRLRUXSCIYBASA-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP O=C(N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC000998299441 705703619 /nfs/dbraw/zinc/70/36/19/705703619.db2.gz COFBTYQZGDHWKL-KGLIPLIRSA-N 2 0 345.409 1.861 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000998548257 705983367 /nfs/dbraw/zinc/98/33/67/705983367.db2.gz FKYLHYKKUMNHTI-LEOMRAHMSA-N 2 0 331.460 1.868 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)sc1C ZINC000998724442 706155839 /nfs/dbraw/zinc/15/58/39/706155839.db2.gz UEHPVZQFKRWMPC-CABCVRRESA-N 2 0 336.505 1.935 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000998729060 706159473 /nfs/dbraw/zinc/15/94/73/706159473.db2.gz FBEJVBLOYAPZFA-HUUCEWRRSA-N 2 0 334.464 1.720 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000998725733 706160470 /nfs/dbraw/zinc/16/04/70/706160470.db2.gz XWNJNVRRBAWXOT-HOTGVXAUSA-N 2 0 332.448 1.265 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000998866439 706295917 /nfs/dbraw/zinc/29/59/17/706295917.db2.gz JHZKWLUMKSUULF-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000998995790 706413162 /nfs/dbraw/zinc/41/31/62/706413162.db2.gz VDRXQZOQNOWWQQ-JFUPDXTOSA-N 2 0 346.475 1.654 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999122930 706547908 /nfs/dbraw/zinc/54/79/08/706547908.db2.gz FDIUBFKYGYCFOW-UHFFFAOYSA-N 2 0 338.415 1.461 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518120 706574809 /nfs/dbraw/zinc/57/48/09/706574809.db2.gz OELPMVWZHZIWKG-INDMIFKZSA-N 2 0 349.519 1.678 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999347249 706858518 /nfs/dbraw/zinc/85/85/18/706858518.db2.gz HUDVKIFGLPRRNF-ZWKOTPCHSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nonc1CN[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](CC(C)C)C2)C1 ZINC000999350009 706862257 /nfs/dbraw/zinc/86/22/57/706862257.db2.gz VSMMWADVUCWDHR-HOTGVXAUSA-N 2 0 349.479 1.437 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999353038 706866145 /nfs/dbraw/zinc/86/61/45/706866145.db2.gz LNQASMXXVXXXED-IAGOWNOFSA-N 2 0 347.507 1.764 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999362303 706875662 /nfs/dbraw/zinc/87/56/62/706875662.db2.gz AKJUVMAXAUJBIH-CRAIPNDOSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)on1 ZINC000999508966 707006326 /nfs/dbraw/zinc/00/63/26/707006326.db2.gz MGRZFJSQKOWCGJ-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999510103 707008346 /nfs/dbraw/zinc/00/83/46/707008346.db2.gz UKRYDANDIMZVRQ-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)n1 ZINC000999491534 707027994 /nfs/dbraw/zinc/02/79/94/707027994.db2.gz VMOZXERNVTYKMQ-QGZVFWFLSA-N 2 0 345.491 1.377 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]C[C@H]3CCCOC3)C2)CC1 ZINC000999597488 707100221 /nfs/dbraw/zinc/10/02/21/707100221.db2.gz FOHCXZJSSGUSGV-WWDZGPRUSA-N 2 0 337.508 1.724 20 0 EDADRP O=C([C@H]1CCCc2nc[nH]c21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946776744 707211596 /nfs/dbraw/zinc/21/15/96/707211596.db2.gz SDSYRUPUZAQQLA-XHSDSOJGSA-N 2 0 346.475 1.382 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)ccn1 ZINC000999702280 707232921 /nfs/dbraw/zinc/23/29/21/707232921.db2.gz AJTKBCBQOQWPHM-UHFFFAOYSA-N 2 0 344.459 1.265 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001033264848 707286696 /nfs/dbraw/zinc/28/66/96/707286696.db2.gz DOJGKUZPYIAWQG-HOTGVXAUSA-N 2 0 334.464 1.539 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921686777 707311243 /nfs/dbraw/zinc/31/12/43/707311243.db2.gz XWLJCULMXWJNHU-QGZVFWFLSA-N 2 0 346.519 1.752 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999838440 707410201 /nfs/dbraw/zinc/41/02/01/707410201.db2.gz WWRJCPMYUGTLIN-VNCLNFNDSA-N 2 0 343.471 1.748 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)n1 ZINC000999834193 707466660 /nfs/dbraw/zinc/46/66/60/707466660.db2.gz UFJOKXKJVGKDGZ-UHFFFAOYSA-N 2 0 333.480 1.175 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(F)cc(F)c2)C1 ZINC000999836984 707473011 /nfs/dbraw/zinc/47/30/11/707473011.db2.gz NISDQXSFZRMFSG-IGEOTXOUSA-N 2 0 337.414 1.996 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)nc2)C1 ZINC000999876308 707523128 /nfs/dbraw/zinc/52/31/28/707523128.db2.gz LVIGINZMDZTBHW-DAWZGUTISA-N 2 0 345.491 1.738 20 0 EDADRP Cc1nnc(CN[C@H](C)[C@@H]2CCCCN2C(=O)C2CC[NH+](C)CC2)[nH]1 ZINC001004931875 707694393 /nfs/dbraw/zinc/69/43/93/707694393.db2.gz WRWCPOKKYIYFQS-CJNGLKHVSA-N 2 0 348.495 1.314 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033390675 707766049 /nfs/dbraw/zinc/76/60/49/707766049.db2.gz MCXFDFOEKQXEFQ-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1cc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)on1 ZINC001004984940 707833943 /nfs/dbraw/zinc/83/39/43/707833943.db2.gz ZWNZAEJBAAAPSD-NVXWUHKLSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990753 707852657 /nfs/dbraw/zinc/85/26/57/707852657.db2.gz JWNHRKZQQZUJRR-AEFFLSMTSA-N 2 0 347.507 1.684 20 0 EDADRP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983848 707866722 /nfs/dbraw/zinc/86/67/22/707866722.db2.gz SGICWNWAPKICJL-RDJZCZTQSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033475014 707964735 /nfs/dbraw/zinc/96/47/35/707964735.db2.gz NTMSSZPQYDYBDZ-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033489881 707984069 /nfs/dbraw/zinc/98/40/69/707984069.db2.gz KDRIKQZFNKULHE-SFHVURJKSA-N 2 0 347.507 1.781 20 0 EDADRP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001000915527 708076337 /nfs/dbraw/zinc/07/63/37/708076337.db2.gz DNRYJYXJGNHDRC-LSDHHAIUSA-N 2 0 336.505 1.526 20 0 EDADRP Cn1ccc(-c2nc(C[NH2+]CCN3CCC([NH+](C)C)CC3)cs2)n1 ZINC000921815505 708085549 /nfs/dbraw/zinc/08/55/49/708085549.db2.gz JGUOQVRCVQTJSO-UHFFFAOYSA-N 2 0 348.520 1.659 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032802470 708088498 /nfs/dbraw/zinc/08/84/98/708088498.db2.gz ABXZEXVDIMOUQN-FHWLQOOXSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)sn1 ZINC001005182609 708128907 /nfs/dbraw/zinc/12/89/07/708128907.db2.gz DYDAXCGAVCEBLQ-INIZCTEOSA-N 2 0 336.505 1.969 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2ccns2)CC1 ZINC001005183391 708133644 /nfs/dbraw/zinc/13/36/44/708133644.db2.gz HWPLOTOMIXWGIT-INIZCTEOSA-N 2 0 336.505 1.703 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033579988 708259637 /nfs/dbraw/zinc/25/96/37/708259637.db2.gz CCGADRPXIWZQJE-AEFFLSMTSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033592033 708290403 /nfs/dbraw/zinc/29/04/03/708290403.db2.gz FBDKGXVWRCPSFQ-CQSZACIVSA-N 2 0 334.489 1.580 20 0 EDADRP COc1cc(CN2CC[C@@H](N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC001033583940 708308360 /nfs/dbraw/zinc/30/83/60/708308360.db2.gz ZEWWHZCQZHWQKV-DLBZAZTESA-N 2 0 346.475 1.465 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001033662464 708478285 /nfs/dbraw/zinc/47/82/85/708478285.db2.gz QBVDLYIQWWSJRZ-CABCVRRESA-N 2 0 343.431 1.207 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685366 708499322 /nfs/dbraw/zinc/49/93/22/708499322.db2.gz SNDUXTWGXFSFGT-YJBOKZPZSA-N 2 0 333.476 1.929 20 0 EDADRP COCC[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001002047665 708538306 /nfs/dbraw/zinc/53/83/06/708538306.db2.gz ZTLFCZPFGXYMCX-IRXDYDNUSA-N 2 0 325.497 1.581 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002038231 708559645 /nfs/dbraw/zinc/55/96/45/708559645.db2.gz UZILPZITIBJAPP-GOSISDBHSA-N 2 0 339.524 1.852 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001033772740 708671083 /nfs/dbraw/zinc/67/10/83/708671083.db2.gz BVVLTGUGHGKQDA-SJLPKXTDSA-N 2 0 330.476 1.907 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC001033826712 708820735 /nfs/dbraw/zinc/82/07/35/708820735.db2.gz UABONEGLRRLMSQ-DLBZAZTESA-N 2 0 348.495 1.074 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH+](CC2CCC2)CC1 ZINC001005424455 708942470 /nfs/dbraw/zinc/94/24/70/708942470.db2.gz JTLMAOPBNJFHPX-MSOLQXFVSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC001002459454 708983215 /nfs/dbraw/zinc/98/32/15/708983215.db2.gz ICVSZFTUWUTKGU-MSOLQXFVSA-N 2 0 349.450 1.534 20 0 EDADRP CN1CCO[C@@H](C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001002536812 709094320 /nfs/dbraw/zinc/09/43/20/709094320.db2.gz WEZPPLSMBBGSRO-QGZVFWFLSA-N 2 0 335.492 1.478 20 0 EDADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033988687 709194827 /nfs/dbraw/zinc/19/48/27/709194827.db2.gz HCTXXMXRFSWWAS-QAPCUYQASA-N 2 0 333.476 1.665 20 0 EDADRP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034008735 709219592 /nfs/dbraw/zinc/21/95/92/709219592.db2.gz BRYGHUNMLAGSRU-HOCLYGCPSA-N 2 0 343.431 1.185 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001034013392 709227430 /nfs/dbraw/zinc/22/74/30/709227430.db2.gz OIXAESLZTFCXOU-SFHVURJKSA-N 2 0 342.487 1.909 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC[NH+](C[C@@H](C)O)CC2)C1 ZINC001005496951 709231161 /nfs/dbraw/zinc/23/11/61/709231161.db2.gz KAEJZVTVAQBUKY-CVEARBPZSA-N 2 0 325.497 1.268 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001034015714 709232111 /nfs/dbraw/zinc/23/21/11/709232111.db2.gz JGMOKGMOYPQODF-HNNXBMFYSA-N 2 0 348.516 1.704 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCN(Cc2nocc2C)C1 ZINC001034016393 709233351 /nfs/dbraw/zinc/23/33/51/709233351.db2.gz MTLIPTBOXCXTTJ-OAHLLOKOSA-N 2 0 332.448 1.502 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001034037730 709270237 /nfs/dbraw/zinc/27/02/37/709270237.db2.gz DWYPMUIRLXGSPB-ZWKOTPCHSA-N 2 0 347.507 1.320 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001034043480 709294661 /nfs/dbraw/zinc/29/46/61/709294661.db2.gz VJZCEFQQJZCRFS-GJZGRUSLSA-N 2 0 336.505 1.826 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001032828554 709453017 /nfs/dbraw/zinc/45/30/17/709453017.db2.gz KSNDUMLSTAMTFW-FRRDWIJNSA-N 2 0 334.291 1.855 20 0 EDADRP C[NH+]1CCC(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000702618478 709686207 /nfs/dbraw/zinc/68/62/07/709686207.db2.gz BTLKXVIVAQXCHR-LJQANCHMSA-N 2 0 331.460 1.081 20 0 EDADRP CO[C@H]1C[C@@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C12CCC2 ZINC000453067999 709862369 /nfs/dbraw/zinc/86/23/69/709862369.db2.gz CANMTSZJPODNTO-SJORKVTESA-N 2 0 330.476 1.881 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001034430482 709997536 /nfs/dbraw/zinc/99/75/36/709997536.db2.gz FXQNLAHHTMZEOQ-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CCCC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001034460170 710077140 /nfs/dbraw/zinc/07/71/40/710077140.db2.gz COCCCJMTZSAHEW-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP COC[C@@H](CCC[NH3+])Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000423029887 710170196 /nfs/dbraw/zinc/17/01/96/710170196.db2.gz IXNFEWNZKVNPSU-MRXNPFEDSA-N 2 0 335.492 1.981 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527711 710180994 /nfs/dbraw/zinc/18/09/94/710180994.db2.gz GFRYRQDTJBHVRL-INIZCTEOSA-N 2 0 333.480 1.029 20 0 EDADRP CC(C)CC[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331268 710255485 /nfs/dbraw/zinc/25/54/85/710255485.db2.gz GFIBYPNZBDQRTO-RMXPPQQLSA-N 2 0 335.492 1.476 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001034606745 710269925 /nfs/dbraw/zinc/26/99/25/710269925.db2.gz CJSVQICGYFLEPZ-LZJIOBQVSA-N 2 0 337.508 1.913 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC001034607855 710280269 /nfs/dbraw/zinc/28/02/69/710280269.db2.gz UJZPPUREOIWNSJ-LUKYLMHMSA-N 2 0 337.508 1.913 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034610392 710284658 /nfs/dbraw/zinc/28/46/58/710284658.db2.gz NMPPQEMQOWUCKG-KZNAEPCWSA-N 2 0 347.507 1.557 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032841587 710331623 /nfs/dbraw/zinc/33/16/23/710331623.db2.gz IYCNOCXQJIBUSQ-KBAYOESNSA-N 2 0 331.460 1.252 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001003492443 710375171 /nfs/dbraw/zinc/37/51/71/710375171.db2.gz MKLBGFKFLWAKJM-ULQDDVLXSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCc2cc(N(C)C)cc[nH+]2)CCCO1 ZINC000922201884 710417804 /nfs/dbraw/zinc/41/78/04/710417804.db2.gz MRWJJYNPFIZFML-HNNXBMFYSA-N 2 0 349.479 1.448 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632680 710461234 /nfs/dbraw/zinc/46/12/34/710461234.db2.gz BRDGZLNXJUFFAV-BEFAXECRSA-N 2 0 345.487 1.974 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003737046 710518246 /nfs/dbraw/zinc/51/82/46/710518246.db2.gz DOEUMGZARWCYRV-GOSISDBHSA-N 2 0 347.507 1.764 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034711526 710867655 /nfs/dbraw/zinc/86/76/55/710867655.db2.gz CPEUHGBEAQORDY-JYJNAYRXSA-N 2 0 349.479 1.709 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001034720210 710886804 /nfs/dbraw/zinc/88/68/04/710886804.db2.gz AONKXZHRKLDJJK-QAQDUYKDSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC001034734081 710915210 /nfs/dbraw/zinc/91/52/10/710915210.db2.gz JXPPTSNUFILLTC-BPUTZDHNSA-N 2 0 334.464 1.842 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034734967 710918542 /nfs/dbraw/zinc/91/85/42/710918542.db2.gz CTUFIQCLPDSEEU-IHRRRGAJSA-N 2 0 337.493 1.539 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001032959791 710992327 /nfs/dbraw/zinc/99/23/27/710992327.db2.gz JRMDWXXUGIRRER-WMLDXEAASA-N 2 0 343.431 1.350 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC001034775542 711049100 /nfs/dbraw/zinc/04/91/00/711049100.db2.gz CKNUMDQZKILKGD-BRWVUGGUSA-N 2 0 345.491 1.644 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001034777404 711056351 /nfs/dbraw/zinc/05/63/51/711056351.db2.gz JUXCICJKITVRED-ULQDDVLXSA-N 2 0 335.492 1.526 20 0 EDADRP CCc1nnc(CN[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC001034777763 711057083 /nfs/dbraw/zinc/05/70/83/711057083.db2.gz KHGOFMWBISIURP-HDJSIYSDSA-N 2 0 347.463 1.245 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034778294 711079511 /nfs/dbraw/zinc/07/95/11/711079511.db2.gz GQJBAGPIZGSVLT-BZUAXINKSA-N 2 0 333.480 1.279 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034778638 711081879 /nfs/dbraw/zinc/08/18/79/711081879.db2.gz XPIWCBLOCMMZJT-WKILWMFISA-N 2 0 343.475 1.398 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC001034779067 711083349 /nfs/dbraw/zinc/08/33/49/711083349.db2.gz NWDMXULPAQKMLD-BZUAXINKSA-N 2 0 334.464 1.842 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC001034792465 711119006 /nfs/dbraw/zinc/11/90/06/711119006.db2.gz KBBZLNFSURWLLN-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001003973705 711129481 /nfs/dbraw/zinc/12/94/81/711129481.db2.gz DWFYLUYGRPJVBG-VQIMIIECSA-N 2 0 345.487 1.642 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003974793 711135029 /nfs/dbraw/zinc/13/50/29/711135029.db2.gz KDGLNNRSBPKENY-ZFWWWQNUSA-N 2 0 345.434 1.333 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@H]2CCOC2)cc1 ZINC001034821212 711222234 /nfs/dbraw/zinc/22/22/34/711222234.db2.gz RXQKDCKVMKCLKU-MOPGFXCFSA-N 2 0 345.487 1.913 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]CC3CCOCC3)cc2)C1 ZINC001034832416 711239143 /nfs/dbraw/zinc/23/91/43/711239143.db2.gz SUXKCMBMESLUFW-IBGZPJMESA-N 2 0 345.487 1.771 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1nccs1 ZINC001034942569 711395529 /nfs/dbraw/zinc/39/55/29/711395529.db2.gz YMGJJEPKABJHOF-HUUCEWRRSA-N 2 0 334.489 1.566 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(C)o1 ZINC001034953796 711419275 /nfs/dbraw/zinc/41/92/75/711419275.db2.gz JBUGTVRPPZEMPZ-NVXWUHKLSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034954902 711421491 /nfs/dbraw/zinc/42/14/91/711421491.db2.gz XCNSBPOSZVZQSA-IAGOWNOFSA-N 2 0 333.480 1.375 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)c1 ZINC001034958076 711431075 /nfs/dbraw/zinc/43/10/75/711431075.db2.gz YTVUJYZRKYFSHB-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4n3CCOC4)C2)[C@@H]1C(C)C ZINC000922393006 711458317 /nfs/dbraw/zinc/45/83/17/711458317.db2.gz IYNHFAYOLPGHIS-ZAWLATJESA-N 2 0 348.491 1.373 20 0 EDADRP Cc1ncsc1CC[NH+]1CCC(NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001004146971 711558383 /nfs/dbraw/zinc/55/83/83/711558383.db2.gz CDLOMCMBHMNGLJ-CQSZACIVSA-N 2 0 336.505 1.526 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC001004149070 711562991 /nfs/dbraw/zinc/56/29/91/711562991.db2.gz DFPHWJKZKMVMTA-CRAIPNDOSA-N 2 0 349.450 1.391 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001004149511 711563280 /nfs/dbraw/zinc/56/32/80/711563280.db2.gz KIGOTFGUPHTHCG-AWEZNQCLSA-N 2 0 334.464 1.578 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004520208 711919122 /nfs/dbraw/zinc/91/91/22/711919122.db2.gz BWWGYSDZZXULKF-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccon2)C1 ZINC001033146157 712010316 /nfs/dbraw/zinc/01/03/16/712010316.db2.gz OBAJWACMRBWYEP-SJORKVTESA-N 2 0 334.464 1.970 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2CC1)[NH+](C)C ZINC000946642839 712128954 /nfs/dbraw/zinc/12/89/54/712128954.db2.gz RMBRUGXNOCKXQW-SOLBZPMBSA-N 2 0 347.507 1.431 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000378120467 282091674 /nfs/dbraw/zinc/09/16/74/282091674.db2.gz HUQSIFHGAWCGRV-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415479276 282272011 /nfs/dbraw/zinc/27/20/11/282272011.db2.gz FKZFMBIWQPXBLF-INIZCTEOSA-N 2 0 346.475 1.617 20 0 EDADRP C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000412118962 303974030 /nfs/dbraw/zinc/97/40/30/303974030.db2.gz CCBPQHGMQGBOIX-KURKYZTESA-N 3 0 340.556 1.980 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)[nH]c1=O ZINC000101518449 219130650 /nfs/dbraw/zinc/13/06/50/219130650.db2.gz ZKCIUVYUZKNOCV-HNNXBMFYSA-N 2 0 334.464 1.171 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000169212020 529993633 /nfs/dbraw/zinc/99/36/33/529993633.db2.gz QLHOHXKDBWJDOL-WMLDXEAASA-N 2 0 346.475 1.647 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000332972615 539618609 /nfs/dbraw/zinc/61/86/09/539618609.db2.gz CUBCCIXEBBFTSI-ROUUACIJSA-N 2 0 337.508 1.602 20 0 EDADRP Cc1csc(=O)n1CC[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333839745 539654807 /nfs/dbraw/zinc/65/48/07/539654807.db2.gz KYSHJWUGMJLJAS-HUUCEWRRSA-N 2 0 325.478 1.437 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000339283886 539705819 /nfs/dbraw/zinc/70/58/19/539705819.db2.gz QISLQCLABOGXOJ-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000103311170 219289292 /nfs/dbraw/zinc/28/92/92/219289292.db2.gz SHDXHCWAYZLSQC-SFHVURJKSA-N 2 0 332.492 1.802 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000068017851 215270825 /nfs/dbraw/zinc/27/08/25/215270825.db2.gz XEGZWKYVCMTNDV-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP OCC[C@H]1CCCCC[NH+]1CC(O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000342041275 539755860 /nfs/dbraw/zinc/75/58/60/539755860.db2.gz BSSPVUHSOHGMDX-QZTJIDSGSA-N 2 0 342.524 1.601 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000104438851 219387529 /nfs/dbraw/zinc/38/75/29/219387529.db2.gz ZHADMANAFXNFIQ-UHFFFAOYSA-N 2 0 346.519 1.604 20 0 EDADRP C[C@@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)C1CC[NH+](C)CC1 ZINC000154495821 539841986 /nfs/dbraw/zinc/84/19/86/539841986.db2.gz PPCVZTLAYFQCGL-WBVHZDCISA-N 2 0 327.538 1.514 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)N(CC[NH+](C)C)Cc2cccc(O)c2)[N@H+](C)C1 ZINC000347225306 539863333 /nfs/dbraw/zinc/86/33/33/539863333.db2.gz FXIKTJVFFCGJET-IRXDYDNUSA-N 2 0 335.448 1.002 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000562789359 306308998 /nfs/dbraw/zinc/30/89/98/306308998.db2.gz UXGITNCIAYSHPJ-UHFFFAOYSA-N 2 0 346.475 1.411 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000562789008 306309045 /nfs/dbraw/zinc/30/90/45/306309045.db2.gz IHJDFVCANNNECP-APWZRJJASA-N 2 0 344.503 1.991 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C1CC[NH2+]CC1 ZINC000562804657 306309616 /nfs/dbraw/zinc/30/96/16/306309616.db2.gz SLDOWFUPBALEKJ-AWEZNQCLSA-N 2 0 331.464 1.456 20 0 EDADRP C[N@H+](C[C@H](O)CNC[C@@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984353 306314810 /nfs/dbraw/zinc/31/48/10/306314810.db2.gz JNTSHGCGAHURRO-AZUAARDMSA-N 2 0 331.504 1.596 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000163374603 540053616 /nfs/dbraw/zinc/05/36/16/540053616.db2.gz AOPHVVJBVZPTQW-QGZVFWFLSA-N 2 0 344.503 1.655 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCN2CCN(c3ncccn3)CC2)[C@@H]2CCC[C@H]21 ZINC000367604403 283136120 /nfs/dbraw/zinc/13/61/20/283136120.db2.gz BKJOBTKLLRGFCC-OKZBNKHCSA-N 2 0 344.507 1.061 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000360170768 283165817 /nfs/dbraw/zinc/16/58/17/283165817.db2.gz KQTPACCJIWJSQD-MRXNPFEDSA-N 2 0 340.512 1.215 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417809239 283170508 /nfs/dbraw/zinc/17/05/08/283170508.db2.gz GOIFMKLLUJGVLH-HNNXBMFYSA-N 2 0 326.485 1.115 20 0 EDADRP CC(F)(F)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000563511440 306336254 /nfs/dbraw/zinc/33/62/54/306336254.db2.gz ZLVNCQYFEFSDDJ-UHFFFAOYSA-N 2 0 341.406 1.548 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000074493858 138236690 /nfs/dbraw/zinc/23/66/90/138236690.db2.gz JIEZAOFZDLCAQS-NVXWUHKLSA-N 2 0 338.496 1.365 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000076323852 138248030 /nfs/dbraw/zinc/24/80/30/138248030.db2.gz BOQIQUDDTJIMGC-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083215323 138268988 /nfs/dbraw/zinc/26/89/88/138268988.db2.gz LILZZZBBISFDDU-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCN(C)S(=O)(=O)c1cccs1 ZINC000090579995 138279689 /nfs/dbraw/zinc/27/96/89/138279689.db2.gz QXRTVQGFCBKTEW-MGPQQGTHSA-N 2 0 345.534 1.687 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC1CC[NH2+]CC1 ZINC000563595965 306340962 /nfs/dbraw/zinc/34/09/62/306340962.db2.gz BGFVBVSIJHXIGC-UHFFFAOYSA-N 2 0 336.455 1.899 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000123969704 138322573 /nfs/dbraw/zinc/32/25/73/138322573.db2.gz OSJVJONOSWRFID-OAHLLOKOSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2)c1ccccc1 ZINC000563855770 306350046 /nfs/dbraw/zinc/35/00/46/306350046.db2.gz AOEVVMZSCLNXPC-ZWKOTPCHSA-N 2 0 345.487 1.785 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C1 ZINC000353245808 283319382 /nfs/dbraw/zinc/31/93/82/283319382.db2.gz UXPVVOSWQQCQSW-ZJPYXAASSA-N 2 0 337.508 1.759 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)COc1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000564205124 306356815 /nfs/dbraw/zinc/35/68/15/306356815.db2.gz WKKWNIPWEXIURG-RDJZCZTQSA-N 2 0 339.455 1.039 20 0 EDADRP C[C@H]1[N@H+](CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)CCC12CCOCC2 ZINC000497223044 291179470 /nfs/dbraw/zinc/17/94/70/291179470.db2.gz RTYBIEKIMAGMBD-DNVCBOLYSA-N 2 0 349.475 1.752 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[N@@H+]1C1CC1 ZINC000177048937 237370544 /nfs/dbraw/zinc/37/05/44/237370544.db2.gz KDWAVJVCMXWFAR-GOEBONIOSA-N 2 0 343.475 1.188 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837924 306366334 /nfs/dbraw/zinc/36/63/34/306366334.db2.gz SEXSGXYRODXWOR-ILZDJORESA-N 2 0 327.472 1.860 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000564924460 306369799 /nfs/dbraw/zinc/36/97/99/306369799.db2.gz AWZPQNYMDYWNCL-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000564937525 306370313 /nfs/dbraw/zinc/37/03/13/306370313.db2.gz NEQIXTHTTQOABP-QGZVFWFLSA-N 2 0 334.464 1.222 20 0 EDADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000564949357 306371113 /nfs/dbraw/zinc/37/11/13/306371113.db2.gz HYNBUTOLHRPMCV-WMZOPIPTSA-N 2 0 330.476 1.881 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413987663 304093120 /nfs/dbraw/zinc/09/31/20/304093120.db2.gz YBLCYMLAPWLXAB-WMZOPIPTSA-N 2 0 345.487 1.327 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000565301114 306381154 /nfs/dbraw/zinc/38/11/54/306381154.db2.gz LNPPMYZZIVWPJK-SFHVURJKSA-N 2 0 346.475 1.379 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000130252887 223136874 /nfs/dbraw/zinc/13/68/74/223136874.db2.gz JSPVCHAXVUWEBH-INIZCTEOSA-N 2 0 336.455 1.851 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)[NH+]2CCCC2)c1 ZINC000187888276 138829545 /nfs/dbraw/zinc/82/95/45/138829545.db2.gz JBBIASKNOBNRLZ-RCCFBDPRSA-N 2 0 347.459 1.325 20 0 EDADRP Cc1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)nn1C ZINC000414363382 304111726 /nfs/dbraw/zinc/11/17/26/304111726.db2.gz LBMALKNVRRSMBF-UHFFFAOYSA-N 2 0 335.496 1.445 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841302 306393367 /nfs/dbraw/zinc/39/33/67/306393367.db2.gz RGOLRZRLZJSARU-HOTGVXAUSA-N 2 0 334.464 1.353 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)CC1 ZINC000414557197 304121985 /nfs/dbraw/zinc/12/19/85/304121985.db2.gz LJXJBKICLNUJKS-QUCCMNQESA-N 2 0 347.503 1.394 20 0 EDADRP C[C@]1(C(=O)NCC2([N@@H+]3CCOC(C)(C)C3)CCCCC2)CC[NH2+]C1 ZINC000430712358 291361065 /nfs/dbraw/zinc/36/10/65/291361065.db2.gz ZAGKMSBTQSINBJ-SFHVURJKSA-N 2 0 337.508 1.916 20 0 EDADRP CC(C)C[C@H]([NH3+])CN1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000414694630 304128212 /nfs/dbraw/zinc/12/82/12/304128212.db2.gz NGBFLZYHNURSCA-ROUUACIJSA-N 2 0 326.529 1.087 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000414703809 304130172 /nfs/dbraw/zinc/13/01/72/304130172.db2.gz MFACFLJHOFJYHZ-UHFFFAOYSA-N 2 0 332.448 1.337 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000414727530 304133325 /nfs/dbraw/zinc/13/33/25/304133325.db2.gz MZGFSQQJYPXDGY-AWEZNQCLSA-N 2 0 333.480 1.724 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000414731951 304134191 /nfs/dbraw/zinc/13/41/91/304134191.db2.gz UATOEBJNGILDQL-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000414741416 304135544 /nfs/dbraw/zinc/13/55/44/304135544.db2.gz KXJSAUIQACIJGI-GJZGRUSLSA-N 2 0 346.475 1.581 20 0 EDADRP COc1cccc(NC(=O)C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414782548 304140079 /nfs/dbraw/zinc/14/00/79/304140079.db2.gz PFWIJPRIXBSAEO-HNNXBMFYSA-N 2 0 334.464 1.297 20 0 EDADRP O=C(COc1ccccc1C[NH2+]CC[C@H]1CC[NH2+]C1)N1CCCC1 ZINC000414826163 304145327 /nfs/dbraw/zinc/14/53/27/304145327.db2.gz DWZCUMYKFPHDQH-MRXNPFEDSA-N 2 0 331.460 1.777 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)sc2C1 ZINC000566677354 306424646 /nfs/dbraw/zinc/42/46/46/306424646.db2.gz SKRGULAILPBPDE-BDAKNGLRSA-N 2 0 332.433 1.011 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000415137096 304162903 /nfs/dbraw/zinc/16/29/03/304162903.db2.gz DVGMERROUFWEDX-XJKSGUPXSA-N 2 0 330.432 1.040 20 0 EDADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519244 139019568 /nfs/dbraw/zinc/01/95/68/139019568.db2.gz PJHRGKRPLRRTQI-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000236866901 139033773 /nfs/dbraw/zinc/03/37/73/139033773.db2.gz RNVPVLAIFAGFCK-AWEZNQCLSA-N 2 0 334.464 1.552 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000236960177 139036655 /nfs/dbraw/zinc/03/66/55/139036655.db2.gz NWCRBCCSZJHQOG-SFHVURJKSA-N 2 0 330.476 1.050 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@]3(C)CCC[NH2+]C3)cn2)CC1 ZINC000237000803 139037761 /nfs/dbraw/zinc/03/77/61/139037761.db2.gz IIISXCPUUVEXGJ-LJQANCHMSA-N 2 0 345.491 1.229 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000237190970 139043390 /nfs/dbraw/zinc/04/33/90/139043390.db2.gz PCPQJCQCABPGDZ-GOSISDBHSA-N 2 0 346.519 1.556 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000237162891 139042785 /nfs/dbraw/zinc/04/27/85/139042785.db2.gz GLHLKOHPTVJEAR-BZSNNMDCSA-N 2 0 336.524 1.297 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237226015 139044918 /nfs/dbraw/zinc/04/49/18/139044918.db2.gz RKKNPQILNZPZJB-KGLIPLIRSA-N 2 0 336.455 1.610 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000237321435 139047874 /nfs/dbraw/zinc/04/78/74/139047874.db2.gz ZXJQAOYYMHSZPK-HNNXBMFYSA-N 2 0 325.478 1.324 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000237401858 139050159 /nfs/dbraw/zinc/05/01/59/139050159.db2.gz RJWYKDOSXNFCEF-WBVHZDCISA-N 2 0 331.460 1.755 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237431823 139051066 /nfs/dbraw/zinc/05/10/66/139051066.db2.gz UBMXVDRQMOSKMY-IRXDYDNUSA-N 2 0 345.491 1.180 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000415188589 304173003 /nfs/dbraw/zinc/17/30/03/304173003.db2.gz BGJUBDMEUYLXFY-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCCC[NH2+]1)N1CCN(c2ccccc2)CC1 ZINC000237570365 139054443 /nfs/dbraw/zinc/05/44/43/139054443.db2.gz QDLDFIBOEIMQHG-WMZOPIPTSA-N 2 0 330.476 1.455 20 0 EDADRP O=C(NC1C[NH2+]C1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000237793364 139060438 /nfs/dbraw/zinc/06/04/38/139060438.db2.gz GEECYTLKDYQNOZ-OAHLLOKOSA-N 2 0 327.350 1.529 20 0 EDADRP [NH3+]C1(C(=O)NC[C@H]2CN(Cc3ccccc3)CCO2)CCCCC1 ZINC000237926881 139064062 /nfs/dbraw/zinc/06/40/62/139064062.db2.gz JRPTUCZMZIEYDP-KRWDZBQOSA-N 2 0 331.460 1.665 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000111791033 220189695 /nfs/dbraw/zinc/18/96/95/220189695.db2.gz IUOCYHZRINLSRB-OAHLLOKOSA-N 2 0 340.512 1.706 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)N1CCOCC1)c1ccccc1 ZINC000238020863 139066701 /nfs/dbraw/zinc/06/67/01/139066701.db2.gz ASVAGTRNNPVMPS-OALUTQOASA-N 2 0 339.439 1.876 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000415290091 304186968 /nfs/dbraw/zinc/18/69/68/304186968.db2.gz FSRKKDROUIGHPR-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2)CC1 ZINC000415292238 304187650 /nfs/dbraw/zinc/18/76/50/304187650.db2.gz LMXFSKHSWASEDV-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000415297336 304188218 /nfs/dbraw/zinc/18/82/18/304188218.db2.gz NOGHLSYVLCOYEL-INIZCTEOSA-N 2 0 332.448 1.286 20 0 EDADRP Cc1csc2nc(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)n12 ZINC000246743603 139119873 /nfs/dbraw/zinc/11/98/73/139119873.db2.gz GVUCWYHDRVWHHB-DZGCQCFKSA-N 2 0 332.473 1.981 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)[C@@H](C)C1 ZINC000246948248 139128144 /nfs/dbraw/zinc/12/81/44/139128144.db2.gz HZSJOVOPQPMCMB-LZWOXQAQSA-N 2 0 336.432 1.475 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000247114036 139136193 /nfs/dbraw/zinc/13/61/93/139136193.db2.gz FDKHLXUHWBBMSL-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249906515 139199945 /nfs/dbraw/zinc/19/99/45/139199945.db2.gz UYVHDUQMFSFLBE-BRWVUGGUSA-N 2 0 337.508 1.819 20 0 EDADRP CN(CC(=O)N1CC[NH2+]CC1)Cc1cc(Cl)ccc1OC(F)F ZINC000261682072 139217148 /nfs/dbraw/zinc/21/71/48/139217148.db2.gz IIIFZJQYADHMCM-UHFFFAOYSA-N 2 0 347.793 1.805 20 0 EDADRP C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1Cc1ccccc1 ZINC000261673963 139216320 /nfs/dbraw/zinc/21/63/20/139216320.db2.gz GLJXXOZTOBTUGT-HPBDAGMYSA-N 2 0 331.460 1.662 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1Cc1ccccc1 ZINC000261673965 139216389 /nfs/dbraw/zinc/21/63/89/139216389.db2.gz GLJXXOZTOBTUGT-OWLYRPNTSA-N 2 0 331.460 1.662 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCc2nnnn2-c2ccccc2)C[C@H]1c1ccccc1 ZINC000261861263 139232068 /nfs/dbraw/zinc/23/20/68/139232068.db2.gz WLMLYZJFOHXNLK-MJGOQNOKSA-N 2 0 348.454 1.879 20 0 EDADRP C[C@H]([NH3+])CC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000261866480 139232692 /nfs/dbraw/zinc/23/26/92/139232692.db2.gz QEZCWUNOPDICEX-LBPRGKRZSA-N 2 0 333.436 1.578 20 0 EDADRP CCc1nc(CN(C(C)=O)[C@@H]2CCN(C[C@H]3CCC[NH2+]C3)C2)no1 ZINC000261930659 139237998 /nfs/dbraw/zinc/23/79/98/139237998.db2.gz LNLFMJSOEWCMIZ-LSDHHAIUSA-N 2 0 335.452 1.054 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000261921905 139237099 /nfs/dbraw/zinc/23/70/99/139237099.db2.gz RPMLICGBOWNZBI-DYVFJYSZSA-N 2 0 326.444 1.638 20 0 EDADRP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000261984607 139241776 /nfs/dbraw/zinc/24/17/76/139241776.db2.gz JHSZOKCHCFLCOO-CYBMUJFWSA-N 2 0 332.448 1.434 20 0 EDADRP C[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C[NH3+] ZINC000262018293 139244269 /nfs/dbraw/zinc/24/42/69/139244269.db2.gz IHMWAKKHPMHZTJ-CJNGLKHVSA-N 2 0 325.478 1.496 20 0 EDADRP CC1(C)C[N@H+](CCC(=O)N2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000262044087 139246320 /nfs/dbraw/zinc/24/63/20/139246320.db2.gz HUXJYOZKSCNZJJ-UHFFFAOYSA-N 2 0 344.503 1.405 20 0 EDADRP [NH3+]CC1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCOCC1 ZINC000262101800 139250961 /nfs/dbraw/zinc/25/09/61/139250961.db2.gz DSBDBZLYWXRULG-UHFFFAOYSA-N 2 0 347.459 1.337 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1)C1CC1 ZINC000415558189 251010988 /nfs/dbraw/zinc/01/09/88/251010988.db2.gz JGRDSABZNZPAER-UHFFFAOYSA-N 2 0 344.459 1.259 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)c1 ZINC000415821529 251031233 /nfs/dbraw/zinc/03/12/33/251031233.db2.gz HHHAWHPRULJOOX-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000569330724 306503626 /nfs/dbraw/zinc/50/36/26/306503626.db2.gz ARKMBYSNAGDMSQ-KSSFIOAISA-N 2 0 330.476 1.794 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000569336800 306504093 /nfs/dbraw/zinc/50/40/93/306504093.db2.gz NXSLUFJMDUMWHP-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000416833484 251112259 /nfs/dbraw/zinc/11/22/59/251112259.db2.gz RCEFCEJVGMJATJ-OWCLPIDISA-N 2 0 332.448 1.667 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416831410 251112982 /nfs/dbraw/zinc/11/29/82/251112982.db2.gz VMORVNQZHBILIW-YOEHRIQHSA-N 2 0 334.464 1.739 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N[C@H](C)CC[NH3+])cc2)CC1 ZINC000416992245 251120790 /nfs/dbraw/zinc/12/07/90/251120790.db2.gz PDMXZIZAEFBOLN-MRXNPFEDSA-N 2 0 347.507 1.361 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000417011540 251129948 /nfs/dbraw/zinc/12/99/48/251129948.db2.gz SIGUEHVEOHOSGD-MSOLQXFVSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417014322 251132772 /nfs/dbraw/zinc/13/27/72/251132772.db2.gz DDAKFKQOAYYUQM-XHSDSOJGSA-N 2 0 326.485 1.114 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417203127 251146283 /nfs/dbraw/zinc/14/62/83/251146283.db2.gz YFJXUOFPTZXATP-KSZLIROESA-N 2 0 330.476 1.695 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000417024630 251138421 /nfs/dbraw/zinc/13/84/21/251138421.db2.gz MHXHDOLKFJYEQL-KDURUIRLSA-N 2 0 342.487 1.971 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000417424949 251168039 /nfs/dbraw/zinc/16/80/39/251168039.db2.gz WKJWACBUHGZOCG-OWCLPIDISA-N 2 0 332.448 1.586 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000417423030 251168464 /nfs/dbraw/zinc/16/84/64/251168464.db2.gz QFQUODWFBLCNLS-IKGGRYGDSA-N 2 0 346.475 1.976 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NCC[C@H](C)[NH3+])CCCC2)CC1 ZINC000417535980 251184774 /nfs/dbraw/zinc/18/47/74/251184774.db2.gz CYGOKNFMKZCISD-AWEZNQCLSA-N 2 0 326.485 1.447 20 0 EDADRP COCC1(CNC(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000417554868 251187225 /nfs/dbraw/zinc/18/72/25/251187225.db2.gz XDZIUIQSMWQOSE-INIZCTEOSA-N 2 0 340.512 1.422 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417557312 251187473 /nfs/dbraw/zinc/18/74/73/251187473.db2.gz RGIZOXVJRWJHCL-SJLPKXTDSA-N 2 0 340.512 1.709 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000417666488 251218666 /nfs/dbraw/zinc/21/86/66/251218666.db2.gz CXSHVESZJKBTPR-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP COCC1(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC[NH2+]CC1 ZINC000262439154 139279063 /nfs/dbraw/zinc/27/90/63/139279063.db2.gz XTOQANOXTPICND-GOSISDBHSA-N 2 0 341.455 1.972 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[C@H](C)C1 ZINC000417670865 251222090 /nfs/dbraw/zinc/22/20/90/251222090.db2.gz OYGNMNFCRYVZMC-FZKCQIBNSA-N 2 0 326.485 1.112 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000417756121 251257948 /nfs/dbraw/zinc/25/79/48/251257948.db2.gz RSRIXUZLJGWJKH-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000417723852 251242733 /nfs/dbraw/zinc/24/27/33/251242733.db2.gz CSOMRMGVYMHHGW-IRXDYDNUSA-N 2 0 345.491 1.200 20 0 EDADRP C[C@H](CNC(=O)N[C@H](C[NH3+])C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000417749739 251253537 /nfs/dbraw/zinc/25/35/37/251253537.db2.gz JNKHWWXMTOEFSA-NVXWUHKLSA-N 2 0 339.528 1.077 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417833307 251290883 /nfs/dbraw/zinc/29/08/83/251290883.db2.gz DRZYTKSBHXTBPH-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417792423 251272695 /nfs/dbraw/zinc/27/26/95/251272695.db2.gz KCLBLICHIJRQJR-KGLIPLIRSA-N 2 0 330.423 1.547 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417804923 251277237 /nfs/dbraw/zinc/27/72/37/251277237.db2.gz GWZXPINXFCWPBW-CABCVRRESA-N 2 0 326.485 1.255 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417811203 251279153 /nfs/dbraw/zinc/27/91/53/251279153.db2.gz OKYFPWFZOYWZAP-MRXNPFEDSA-N 2 0 340.512 1.565 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418110074 251324391 /nfs/dbraw/zinc/32/43/91/251324391.db2.gz VUJRFBSDADKAQI-ZWKOTPCHSA-N 2 0 330.476 1.759 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccco1 ZINC000418159857 251349281 /nfs/dbraw/zinc/34/92/81/251349281.db2.gz CWFKOJXGOHJRJJ-RRFJBIMHSA-N 2 0 338.452 1.468 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418198448 251354628 /nfs/dbraw/zinc/35/46/28/251354628.db2.gz VHKZGESBBGGUIX-ZBFHGGJFSA-N 2 0 349.479 1.339 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418384204 251364240 /nfs/dbraw/zinc/36/42/40/251364240.db2.gz OJLPDZYVTXPSAE-XJKCOSOUSA-N 2 0 338.402 1.462 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418707409 251389451 /nfs/dbraw/zinc/38/94/51/251389451.db2.gz IGINDWMGBYQVJT-UKRRQHHQSA-N 2 0 340.418 1.885 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418718810 251394827 /nfs/dbraw/zinc/39/48/27/251394827.db2.gz UITGFICPKKCLQT-CQSZACIVSA-N 2 0 328.407 1.742 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@@H]1C ZINC000418685683 251385868 /nfs/dbraw/zinc/38/58/68/251385868.db2.gz NHUXUTVUWUOXRQ-CIRFHOKZSA-N 2 0 330.476 1.866 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@H](C)CCC[NH3+])CC2)CC1 ZINC000418687152 251386336 /nfs/dbraw/zinc/38/63/36/251386336.db2.gz LMTQQSLOICFARK-MRXNPFEDSA-N 2 0 339.528 1.314 20 0 EDADRP COCC[NH2+]CC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262684271 139296251 /nfs/dbraw/zinc/29/62/51/139296251.db2.gz ZSPFFJABGPXWPT-UHFFFAOYSA-N 2 0 341.496 1.152 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262701680 139297460 /nfs/dbraw/zinc/29/74/60/139297460.db2.gz CKABERUWFMSKLB-ZACQAIPSSA-N 2 0 347.507 1.905 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262706228 139297775 /nfs/dbraw/zinc/29/77/75/139297775.db2.gz BORUTYGMAYQPSZ-INIZCTEOSA-N 2 0 333.480 1.754 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)nc1 ZINC000420361157 251700542 /nfs/dbraw/zinc/70/05/42/251700542.db2.gz MTPJRBDVZVQLAW-MRXNPFEDSA-N 2 0 346.475 1.770 20 0 EDADRP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000420412420 251708720 /nfs/dbraw/zinc/70/87/20/251708720.db2.gz ZBSCGBAMSWTJLO-SJORKVTESA-N 2 0 344.503 1.581 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000262809935 139305353 /nfs/dbraw/zinc/30/53/53/139305353.db2.gz UCCWGFRTVRENCI-FBVQUNGASA-N 2 0 331.460 1.662 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)C1 ZINC000262843125 139307374 /nfs/dbraw/zinc/30/73/74/139307374.db2.gz JCYKNYSWOUYWHQ-MJGOQNOKSA-N 2 0 333.476 1.820 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000262887341 139310608 /nfs/dbraw/zinc/31/06/08/139310608.db2.gz ZRVFUPGICGBLDP-CVEARBPZSA-N 2 0 333.480 1.515 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262881575 139310078 /nfs/dbraw/zinc/31/00/78/139310078.db2.gz ZACUWJKAASBWPQ-QGZVFWFLSA-N 2 0 345.491 1.944 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000422874752 252007662 /nfs/dbraw/zinc/00/76/62/252007662.db2.gz AZZZYZWDGDYYHH-QXAKKESOSA-N 2 0 346.519 1.477 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422891248 252013752 /nfs/dbraw/zinc/01/37/52/252013752.db2.gz UXPUTQDUXCKNJR-MAUKXSAKSA-N 3 0 332.492 1.601 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422891247 252014013 /nfs/dbraw/zinc/01/40/13/252014013.db2.gz UXPUTQDUXCKNJR-CRAIPNDOSA-N 3 0 332.492 1.601 20 0 EDADRP COCCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422899792 252017265 /nfs/dbraw/zinc/01/72/65/252017265.db2.gz PEWRLFYWNWYXSJ-IPMKNSEASA-N 2 0 334.460 1.959 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2)[C@@H]1CC[NH2+]C1 ZINC000423008011 252025718 /nfs/dbraw/zinc/02/57/18/252025718.db2.gz SEYLCYNZGAMIJS-NQYYFHDYSA-N 2 0 342.487 1.173 20 0 EDADRP OC[C@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000423069985 252033139 /nfs/dbraw/zinc/03/31/39/252033139.db2.gz BYJBWUGTCJRDKE-ZDUSSCGKSA-N 2 0 327.266 1.942 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150716 252037787 /nfs/dbraw/zinc/03/77/87/252037787.db2.gz BZRBATNATOVOIB-MNOVXSKESA-N 2 0 345.256 1.937 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCOC1C[NH2+]C1 ZINC000423775146 252068857 /nfs/dbraw/zinc/06/88/57/252068857.db2.gz LYTGCHCWFDHHRD-MRXNPFEDSA-N 2 0 331.460 1.488 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990775 252021545 /nfs/dbraw/zinc/02/15/45/252021545.db2.gz NYRVRERDLCFERP-CZUORRHYSA-N 2 0 338.423 1.770 20 0 EDADRP C[C@@H]1C[C@@H](C)[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000424020540 252115690 /nfs/dbraw/zinc/11/56/90/252115690.db2.gz PJENNPYWTKSGSL-JFIYKMOQSA-N 2 0 345.487 1.910 20 0 EDADRP CC1(C(=O)N2CCCO[C@H](C[NH3+])C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424028818 252120425 /nfs/dbraw/zinc/12/04/25/252120425.db2.gz XHGBHAYRGBQIIF-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423793690 252077951 /nfs/dbraw/zinc/07/79/51/252077951.db2.gz JAZYDZJQFZWZAJ-ROUUACIJSA-N 2 0 337.508 1.855 20 0 EDADRP COc1cccc2c1CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)C2 ZINC000423798387 252078617 /nfs/dbraw/zinc/07/86/17/252078617.db2.gz JIDMVANVAJQBBI-UHFFFAOYSA-N 2 0 331.460 1.783 20 0 EDADRP C[NH+](C)CCOCCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000423801956 252080697 /nfs/dbraw/zinc/08/06/97/252080697.db2.gz UPADNNWDBHOWER-UHFFFAOYSA-N 2 0 333.476 1.537 20 0 EDADRP Cn1cc(C(=O)N2CCC3(CC[NH2+]CC3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424151844 252145151 /nfs/dbraw/zinc/14/51/51/252145151.db2.gz GGUNXSGXOMVMJJ-OAHLLOKOSA-N 2 0 345.491 1.493 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156776 252147856 /nfs/dbraw/zinc/14/78/56/252147856.db2.gz OUBYUZKLJWIORM-CVEARBPZSA-N 2 0 348.495 1.587 20 0 EDADRP CN(C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424154773 252148065 /nfs/dbraw/zinc/14/80/65/252148065.db2.gz LXLRPAWBRGQDSF-ZFWWWQNUSA-N 2 0 331.464 1.196 20 0 EDADRP C[N@H+](CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424126065 252131413 /nfs/dbraw/zinc/13/14/13/252131413.db2.gz BCZZUPBIEKZMML-INIZCTEOSA-N 2 0 348.495 1.587 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424227556 252171675 /nfs/dbraw/zinc/17/16/75/252171675.db2.gz UWSAFUZECMTALP-QGZVFWFLSA-N 2 0 339.443 1.392 20 0 EDADRP COC(=O)CC1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424339406 252198416 /nfs/dbraw/zinc/19/84/16/252198416.db2.gz VRUFMRDOZXBMPB-UHFFFAOYSA-N 2 0 346.471 1.945 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262973860 139316283 /nfs/dbraw/zinc/31/62/83/139316283.db2.gz MCPIKKYCSBUUOB-IEBWSBKVSA-N 2 0 337.508 1.997 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000111843321 285024436 /nfs/dbraw/zinc/02/44/36/285024436.db2.gz WOKGLBHEWRMREQ-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)[C@H]1SC ZINC000459597230 305520960 /nfs/dbraw/zinc/52/09/60/305520960.db2.gz VVHZGRUGDRUGIS-BFYDXBDKSA-N 2 0 343.537 1.477 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccnn1C ZINC000263657763 139350436 /nfs/dbraw/zinc/35/04/36/139350436.db2.gz CIIVBFKVMPSDKO-KBOKABMXSA-N 2 0 333.480 1.308 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000486987342 255022136 /nfs/dbraw/zinc/02/21/36/255022136.db2.gz MNZZUZXMOXONIH-VNQPRFMTSA-N 2 0 331.464 1.358 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000489034674 255062306 /nfs/dbraw/zinc/06/23/06/255062306.db2.gz CBMOOPRHXDFYPT-ZACQAIPSSA-N 2 0 325.497 1.769 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@@H](C)COC ZINC000360157694 285245877 /nfs/dbraw/zinc/24/58/77/285245877.db2.gz VUBCHIOWSZNABM-YESZJQIVSA-N 2 0 327.513 1.780 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415780568 304269382 /nfs/dbraw/zinc/26/93/82/304269382.db2.gz CVJCSZUKMULNOY-HIFRSBDPSA-N 2 0 346.475 1.839 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1cccc(CNC(=O)/C=C\C[NH+](C)C)c1 ZINC000491686057 255141345 /nfs/dbraw/zinc/14/13/45/255141345.db2.gz OUFDESUTUGCSTK-NAKBGQTNSA-N 2 0 344.459 1.477 20 0 EDADRP COCC[N@H+](C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494078348 255235077 /nfs/dbraw/zinc/23/50/77/255235077.db2.gz LUPUAFHWXUODFR-UHFFFAOYSA-N 2 0 329.485 1.944 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000415788595 304271321 /nfs/dbraw/zinc/27/13/21/304271321.db2.gz QPXZEGGZWQMLCW-JKSUJKDBSA-N 2 0 344.459 1.206 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494702050 255258709 /nfs/dbraw/zinc/25/87/09/255258709.db2.gz HAUYQMFGHPZOCS-ZBFHGGJFSA-N 2 0 334.464 1.226 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CCN(C(=O)OC)CC1 ZINC000496305725 255378332 /nfs/dbraw/zinc/37/83/32/255378332.db2.gz ITYCOSMLPJPJRP-AWEZNQCLSA-N 2 0 325.457 1.063 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415797717 304273401 /nfs/dbraw/zinc/27/34/01/304273401.db2.gz ZJEQHWYXZMFRQV-KGLIPLIRSA-N 2 0 332.448 1.115 20 0 EDADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000496242791 255369466 /nfs/dbraw/zinc/36/94/66/255369466.db2.gz HCVAOXAHBSRPJV-CZUORRHYSA-N 2 0 327.469 1.288 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000118094780 221115301 /nfs/dbraw/zinc/11/53/01/221115301.db2.gz CQIPEKMHEMGLTJ-UHFFFAOYSA-N 2 0 334.464 1.187 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[C@H]([NH3+])C2)c1 ZINC000415825798 304277963 /nfs/dbraw/zinc/27/79/63/304277963.db2.gz BCNKBVHRTPKWFP-XJKSGUPXSA-N 2 0 332.448 1.273 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000415906756 304284680 /nfs/dbraw/zinc/28/46/80/304284680.db2.gz LRGVSUYPXKQJKW-OAHLLOKOSA-N 2 0 333.480 1.554 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416142753 304291745 /nfs/dbraw/zinc/29/17/45/304291745.db2.gz HRQRQYSJGKZKSK-SFHVURJKSA-N 2 0 333.476 1.860 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](CC(C)C)OC ZINC000416145011 304292165 /nfs/dbraw/zinc/29/21/65/304292165.db2.gz KFZZIRMUWFXFLB-IAGOWNOFSA-N 2 0 327.513 1.922 20 0 EDADRP CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270695326 140149664 /nfs/dbraw/zinc/14/96/64/140149664.db2.gz DIMZAWSCQYYNOU-FUHWJXTLSA-N 2 0 347.503 1.858 20 0 EDADRP COC(=O)[C@H](C)Oc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000271873133 140364624 /nfs/dbraw/zinc/36/46/24/140364624.db2.gz YLNQORPPRZBPBV-AWEZNQCLSA-N 2 0 336.432 1.173 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000333162240 141273945 /nfs/dbraw/zinc/27/39/45/141273945.db2.gz GOTZKYGRYREVCU-QAPCUYQASA-N 2 0 338.496 1.176 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[NH+](CC4CC4)CC3)cc2C1 ZINC000333385416 141309808 /nfs/dbraw/zinc/30/98/08/141309808.db2.gz WSISOJJYPXYSJW-OAHLLOKOSA-N 2 0 329.448 1.457 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000333391008 141310494 /nfs/dbraw/zinc/31/04/94/141310494.db2.gz XMKZEZMJXLYIMS-DZGCQCFKSA-N 2 0 331.464 1.846 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333416097 141314428 /nfs/dbraw/zinc/31/44/28/141314428.db2.gz RWZIDKNCJSPMAQ-OKZBNKHCSA-N 2 0 331.460 1.740 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000333501426 141327544 /nfs/dbraw/zinc/32/75/44/141327544.db2.gz DJFXIZKVZNUXRU-IAGOWNOFSA-N 2 0 343.475 1.549 20 0 EDADRP C[C@H](C(=O)NC1CCCCC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333567414 141338342 /nfs/dbraw/zinc/33/83/42/141338342.db2.gz LXYVASFICFEUEG-CQSZACIVSA-N 2 0 345.491 1.961 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000333660425 141351908 /nfs/dbraw/zinc/35/19/08/141351908.db2.gz LMAANGNMDZYWFW-ILXVDBEPSA-N 2 0 348.466 1.911 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333820491 141387678 /nfs/dbraw/zinc/38/76/78/141387678.db2.gz HMEKQBWYQTWRLL-NWGLXNPWSA-N 2 0 337.508 1.900 20 0 EDADRP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000333850290 141394366 /nfs/dbraw/zinc/39/43/66/141394366.db2.gz NINJNVCFSVAAEN-MSOLQXFVSA-N 2 0 343.471 1.942 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CC(=O)N3CCc4ccccc43)CC2)C1 ZINC000333863134 141396360 /nfs/dbraw/zinc/39/63/60/141396360.db2.gz QJAIGBVPNMOEMD-IEBWSBKVSA-N 2 0 343.471 1.794 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C1 ZINC000339542721 142071599 /nfs/dbraw/zinc/07/15/99/142071599.db2.gz MRTHRPCZZYOMCO-SJORKVTESA-N 2 0 338.496 1.080 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1)C(C)C ZINC000339583824 142083871 /nfs/dbraw/zinc/08/38/71/142083871.db2.gz IYFTYNRLAOQDPV-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000340118043 142271418 /nfs/dbraw/zinc/27/14/18/142271418.db2.gz XBNONLMWKWKYFV-MJGOQNOKSA-N 2 0 344.503 1.690 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340119997 142271979 /nfs/dbraw/zinc/27/19/79/142271979.db2.gz OPGOZKGGVPNUSD-WMZOPIPTSA-N 3 0 345.491 1.227 20 0 EDADRP C[C@@H]([NH3+])CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000340177692 142293100 /nfs/dbraw/zinc/29/31/00/142293100.db2.gz UAPKSXVHKJHUCS-QGZVFWFLSA-N 2 0 332.492 1.438 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340252308 142320358 /nfs/dbraw/zinc/32/03/58/142320358.db2.gz LOBRXDSNMFLOIY-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000340295491 142333132 /nfs/dbraw/zinc/33/31/32/142333132.db2.gz ONCLXYUXXALSCS-HNNXBMFYSA-N 2 0 340.512 1.214 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000340311972 142338182 /nfs/dbraw/zinc/33/81/82/142338182.db2.gz KQGHHCXULKHKDF-GOSISDBHSA-N 2 0 339.524 1.802 20 0 EDADRP C[C@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000345010408 143038960 /nfs/dbraw/zinc/03/89/60/143038960.db2.gz NZGNKSJOOISXMX-BZUAXINKSA-N 2 0 325.497 1.553 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000345800680 143134960 /nfs/dbraw/zinc/13/49/60/143134960.db2.gz YEBGQLYTVGKEEE-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C2CCOCC2)CC1 ZINC000346143438 143171875 /nfs/dbraw/zinc/17/18/75/143171875.db2.gz AURADVGQFPDAOY-UHFFFAOYSA-N 2 0 341.459 1.872 20 0 EDADRP C[C@@H]1C[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000346695514 143232846 /nfs/dbraw/zinc/23/28/46/143232846.db2.gz CTIRJWRSGPAIDO-IMFGXOCKSA-N 2 0 329.488 1.838 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccs2)C1 ZINC000347017917 143271955 /nfs/dbraw/zinc/27/19/55/143271955.db2.gz KVWKIURWRDPTNG-LBPRGKRZSA-N 2 0 333.461 1.425 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000347034267 143274364 /nfs/dbraw/zinc/27/43/64/143274364.db2.gz CMQAEXSJBLSWTQ-NZSAHSFTSA-N 2 0 332.492 1.338 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000347048719 143276319 /nfs/dbraw/zinc/27/63/19/143276319.db2.gz QRFVSPQQQINIAI-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP CCOc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347207355 143294859 /nfs/dbraw/zinc/29/48/59/143294859.db2.gz MWMVXUVWYMCOTC-QGZVFWFLSA-N 2 0 331.460 1.729 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000416822092 304350279 /nfs/dbraw/zinc/35/02/79/304350279.db2.gz MUOVTEOWYPEPDO-RHSMWYFYSA-N 2 0 334.464 1.821 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000573307913 306617615 /nfs/dbraw/zinc/61/76/15/306617615.db2.gz ZWQJMKQZPNLGPM-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000416843003 304351004 /nfs/dbraw/zinc/35/10/04/304351004.db2.gz OFLJBRRCFZBJFZ-OKZBNKHCSA-N 2 0 328.460 1.512 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCCC1 ZINC000416857091 304352096 /nfs/dbraw/zinc/35/20/96/304352096.db2.gz XRRCNJSQQGYOST-DOTOQJQBSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000352789923 149166922 /nfs/dbraw/zinc/16/69/22/149166922.db2.gz GXAKLFDUPZGNCM-SJLPKXTDSA-N 2 0 332.492 1.800 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000333659207 286093335 /nfs/dbraw/zinc/09/33/35/286093335.db2.gz LHCUTDYPKDMWIX-YVSFHVDLSA-N 2 0 338.496 1.269 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000333772916 286093553 /nfs/dbraw/zinc/09/35/53/286093553.db2.gz CILBRQQVIHETEI-LUKYLMHMSA-N 2 0 338.496 1.399 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@]2(C)CCC[NH2+]C2)CC1 ZINC000353210010 149325119 /nfs/dbraw/zinc/32/51/19/149325119.db2.gz XINTZDSNLGCPNO-GOSISDBHSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](C)[C@@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416959854 304355278 /nfs/dbraw/zinc/35/52/78/304355278.db2.gz ZLBHXAULCYFTJK-JONQDZQNSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000416963687 304356025 /nfs/dbraw/zinc/35/60/25/304356025.db2.gz BLOUKFRRORGDHB-DOTOQJQBSA-N 2 0 348.491 1.753 20 0 EDADRP C[NH2+]CCCNC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416970045 304357491 /nfs/dbraw/zinc/35/74/91/304357491.db2.gz MMSWMDHBWNSLQF-HZPDHXFCSA-N 2 0 348.491 1.705 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416968512 304357143 /nfs/dbraw/zinc/35/71/43/304357143.db2.gz JHECJSRRACOYIK-SJORKVTESA-N 2 0 348.491 1.944 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000416974003 304358547 /nfs/dbraw/zinc/35/85/47/304358547.db2.gz KOLPRLLFBYYHHM-SFHVURJKSA-N 2 0 330.476 1.996 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)nc3)[C@@H]2C1 ZINC000355366401 150236109 /nfs/dbraw/zinc/23/61/09/150236109.db2.gz NBDITPROHKNTHM-IAGOWNOFSA-N 2 0 332.448 1.078 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](c3ccccc3)N(C)C)[C@H]2C1 ZINC000355378106 150241379 /nfs/dbraw/zinc/24/13/79/150241379.db2.gz ZVFZMKWMEBYIQW-OKZBNKHCSA-N 2 0 331.460 1.611 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000355442234 150269693 /nfs/dbraw/zinc/26/96/93/150269693.db2.gz LKUPVQIYGDMBFE-UONOGXRCSA-N 2 0 334.489 1.756 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417030740 304362449 /nfs/dbraw/zinc/36/24/49/304362449.db2.gz WPGOBSUGHRXKIU-SFHVURJKSA-N 2 0 345.491 1.331 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+]2CCC1CC2)CCC(F)(F)F ZINC000355495624 150292231 /nfs/dbraw/zinc/29/22/31/150292231.db2.gz AJTAGUGJMJAERL-UHFFFAOYSA-N 2 0 336.402 1.750 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000417031702 304362983 /nfs/dbraw/zinc/36/29/83/304362983.db2.gz PQKSVNFERDGSPS-INIZCTEOSA-N 2 0 326.485 1.176 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417030990 304363003 /nfs/dbraw/zinc/36/30/03/304363003.db2.gz PXPYWTDNWOEZLA-MAUKXSAKSA-N 2 0 330.476 1.861 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000417044377 304365674 /nfs/dbraw/zinc/36/56/74/304365674.db2.gz XXOSLELTOJAINX-KRWDZBQOSA-N 2 0 334.464 1.359 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000417040482 304365097 /nfs/dbraw/zinc/36/50/97/304365097.db2.gz XWHJXJIYCDMRQL-HZPDHXFCSA-N 2 0 348.491 1.710 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417042654 304365122 /nfs/dbraw/zinc/36/51/22/304365122.db2.gz LUUKIMNNGKEBPI-BRWVUGGUSA-N 2 0 340.512 1.789 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)c1ccnc(C[NH3+])c1 ZINC000357388675 151015173 /nfs/dbraw/zinc/01/51/73/151015173.db2.gz KEVPBUFYALNAGT-UHFFFAOYSA-N 2 0 330.407 1.883 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000357673032 151110521 /nfs/dbraw/zinc/11/05/21/151110521.db2.gz KKPKBOGJTLVIRZ-BPQIPLTHSA-N 2 0 347.503 1.905 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000357972944 151216797 /nfs/dbraw/zinc/21/67/97/151216797.db2.gz KQEUFOCOCDBVCF-ZBFHGGJFSA-N 2 0 330.542 1.843 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000357995695 151227225 /nfs/dbraw/zinc/22/72/25/151227225.db2.gz VKXDELAVSBTRGL-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000358104460 151272255 /nfs/dbraw/zinc/27/22/55/151272255.db2.gz ZFXUDHNIMSOZRY-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358122680 151279201 /nfs/dbraw/zinc/27/92/01/151279201.db2.gz ZGMYDRREMBAZNR-LZLYRXPVSA-N 2 0 334.508 1.146 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000358181253 151297880 /nfs/dbraw/zinc/29/78/80/151297880.db2.gz CMMLWWCMHCQRGX-INIZCTEOSA-N 2 0 326.510 1.375 20 0 EDADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000358251956 151318353 /nfs/dbraw/zinc/31/83/53/151318353.db2.gz MYBOMMKKEVDCNS-MHTWAQMVSA-N 2 0 343.515 1.943 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC000358305101 151331462 /nfs/dbraw/zinc/33/14/62/151331462.db2.gz WUVFWTNHOVUSHE-LSDHHAIUSA-N 2 0 342.553 1.938 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)[C@H]1C ZINC000417119693 304374378 /nfs/dbraw/zinc/37/43/78/304374378.db2.gz UEEZWPLOYWFIDK-CABCVRRESA-N 2 0 340.537 1.740 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417120497 304374618 /nfs/dbraw/zinc/37/46/18/304374618.db2.gz VNVNJRBUDGBAEP-CABCVRRESA-N 2 0 340.537 1.727 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360413613 152028126 /nfs/dbraw/zinc/02/81/26/152028126.db2.gz MCUKPDXAUSANMB-GDBMZVCRSA-N 2 0 330.542 1.699 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417134328 304376491 /nfs/dbraw/zinc/37/64/91/304376491.db2.gz AHIUNEMNZGXSGF-KRWDZBQOSA-N 2 0 333.480 1.863 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360665313 152144094 /nfs/dbraw/zinc/14/40/94/152144094.db2.gz VTOPETRYYXOWEV-NVXWUHKLSA-N 2 0 342.553 1.987 20 0 EDADRP CSC1(CNC(=O)N(C)Cc2nccn2C)CC[NH+](C)CC1 ZINC000360699748 152160230 /nfs/dbraw/zinc/16/02/30/152160230.db2.gz ZZNNGJZCKNWVOY-UHFFFAOYSA-N 2 0 325.482 1.389 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360749563 152185008 /nfs/dbraw/zinc/18/50/08/152185008.db2.gz ZLTGSRRWXHVDTN-KRWDZBQOSA-N 2 0 342.553 1.940 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCC1C[NH2+]C1)[NH+]1CCCCC1 ZINC000417161568 304379433 /nfs/dbraw/zinc/37/94/33/304379433.db2.gz FGAOCSIHENCCSH-KRWDZBQOSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863377 153078932 /nfs/dbraw/zinc/07/89/32/153078932.db2.gz UGJLQEIYZAFAKI-DNVCBOLYSA-N 2 0 342.487 1.893 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000364210052 153174076 /nfs/dbraw/zinc/17/40/76/153174076.db2.gz CTBUNRDNSIGIEQ-HZPDHXFCSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000417193719 304383218 /nfs/dbraw/zinc/38/32/18/304383218.db2.gz LUQGWQZPGZWWGE-CGTJXYLNSA-N 2 0 332.492 1.847 20 0 EDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000364854373 153352178 /nfs/dbraw/zinc/35/21/78/153352178.db2.gz KJCLSISSVXZCSL-HYVNUMGLSA-N 2 0 345.491 1.522 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000417248260 304387994 /nfs/dbraw/zinc/38/79/94/304387994.db2.gz BHJWADLKUSZJEU-YFHUEUNASA-N 2 0 340.512 1.421 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903912 286416407 /nfs/dbraw/zinc/41/64/07/286416407.db2.gz PFPHXVWSQNGCGY-KDOFPFPSSA-N 2 0 325.497 1.900 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000367097652 154008369 /nfs/dbraw/zinc/00/83/69/154008369.db2.gz BGYDBKUSDYKJED-GOSISDBHSA-N 2 0 340.581 1.526 20 0 EDADRP O=C(NCc1ccn2ccnc2c1)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000367123487 154016472 /nfs/dbraw/zinc/01/64/72/154016472.db2.gz SBMGYLXCHLNPBO-HOTGVXAUSA-N 2 0 343.431 1.387 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cn1C ZINC000367299689 154070635 /nfs/dbraw/zinc/07/06/35/154070635.db2.gz JJSLUMTXFUAUNX-UHFFFAOYSA-N 2 0 335.448 1.356 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000367619233 154201885 /nfs/dbraw/zinc/20/18/85/154201885.db2.gz VGUCAVSKMMFXLB-ULQDDVLXSA-N 2 0 337.489 1.339 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000367984091 154354547 /nfs/dbraw/zinc/35/45/47/154354547.db2.gz TWTSMGJLIYCDKI-PVAVHDDUSA-N 2 0 347.459 1.294 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369659602 155122938 /nfs/dbraw/zinc/12/29/38/155122938.db2.gz VMDLMVNBVNRTLH-KRWDZBQOSA-N 2 0 342.487 1.894 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417475395 304398322 /nfs/dbraw/zinc/39/83/22/304398322.db2.gz ATSQENBLVWYLDP-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371829452 156127588 /nfs/dbraw/zinc/12/75/88/156127588.db2.gz AXCBMEYYYPNWHL-SFHVURJKSA-N 2 0 347.507 1.925 20 0 EDADRP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCN1CCC2)Cc1ccccc1 ZINC000372313294 156327834 /nfs/dbraw/zinc/32/78/34/156327834.db2.gz KOKQZFUEQHCIMR-SFHVURJKSA-N 2 0 330.476 1.015 20 0 EDADRP C[C@H](O)COC(=O)CC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000373860782 157037172 /nfs/dbraw/zinc/03/71/72/157037172.db2.gz VFNOLFKATNUROB-HRCADAONSA-N 2 0 342.480 1.122 20 0 EDADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000374020718 157111221 /nfs/dbraw/zinc/11/12/21/157111221.db2.gz AYRWOBIZQVHWKW-IAGOWNOFSA-N 2 0 326.400 1.270 20 0 EDADRP C[C@H]1CN(CC(=O)N(C)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374327803 157245307 /nfs/dbraw/zinc/24/53/07/157245307.db2.gz XGJPXLFGMNNZBT-PKOBYXMFSA-N 2 0 344.503 1.607 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]21 ZINC000374609716 157343798 /nfs/dbraw/zinc/34/37/98/157343798.db2.gz GSJUEIOOOXOVRE-GVDBMIGSSA-N 2 0 335.492 1.607 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)CCCCCC[NH3+])CC2)CC1 ZINC000378206053 158109264 /nfs/dbraw/zinc/10/92/64/158109264.db2.gz OVNSHQWNZHHJAD-UHFFFAOYSA-N 2 0 338.540 1.914 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309831 158135563 /nfs/dbraw/zinc/13/55/63/158135563.db2.gz BXUPDVFQPUUJFK-PKOBYXMFSA-N 2 0 344.503 1.973 20 0 EDADRP CS[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1[NH+]1CCCC1 ZINC000338817344 286719286 /nfs/dbraw/zinc/71/92/86/286719286.db2.gz YJDZPPCNRZNMGY-SJORKVTESA-N 2 0 337.533 1.899 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCC[NH2+]C1 ZINC000417913321 304430451 /nfs/dbraw/zinc/43/04/51/304430451.db2.gz QAKQNWJJIOXMBH-NUJGCVRESA-N 2 0 338.496 1.053 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000352214463 162054641 /nfs/dbraw/zinc/05/46/41/162054641.db2.gz PVMQZEIRDHMOPP-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000352265462 162083546 /nfs/dbraw/zinc/08/35/46/162083546.db2.gz LCEWLUHJBFVDPM-UHFFFAOYSA-N 2 0 333.542 1.712 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CCC[NH+](C2CCCCC2)C1 ZINC000364228048 162322177 /nfs/dbraw/zinc/32/21/77/162322177.db2.gz RFXKCGVIZRYACW-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP O=C(Nc1c[nH+]ccc1-n1ccnc1)[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000364231117 162322244 /nfs/dbraw/zinc/32/22/44/162322244.db2.gz ATFLOSIFSAVWBO-ZDUSSCGKSA-N 2 0 339.399 1.997 20 0 EDADRP CCc1oc(C(=O)OC)cc1CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000364228742 162322400 /nfs/dbraw/zinc/32/24/00/162322400.db2.gz FFALTTNKGCAKKR-MRXNPFEDSA-N 2 0 349.475 1.840 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)C[NH+]1CCCC1 ZINC000073774635 287264653 /nfs/dbraw/zinc/26/46/53/287264653.db2.gz FNTDSUJMLKBRBX-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@@H]1OCCc2ccccc21 ZINC000115371137 287344492 /nfs/dbraw/zinc/34/44/92/287344492.db2.gz RZFOILZBWJYKKX-SFHVURJKSA-N 2 0 333.476 1.642 20 0 EDADRP Cc1ccc2c(c1)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000121081086 287367774 /nfs/dbraw/zinc/36/77/74/287367774.db2.gz KQHUZRGVQXXMTI-INIZCTEOSA-N 2 0 334.464 1.563 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000168092738 226208348 /nfs/dbraw/zinc/20/83/48/226208348.db2.gz WRDIUKUOZWKVGU-IBGZPJMESA-N 2 0 345.487 1.548 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123193094 222232341 /nfs/dbraw/zinc/23/23/41/222232341.db2.gz GKBCCOBPCDBMNX-HNNXBMFYSA-N 2 0 340.512 1.911 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000123244772 222241235 /nfs/dbraw/zinc/24/12/35/222241235.db2.gz IWBCWQJZEFUCLE-RKVPGOIHSA-N 2 0 342.528 1.355 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000418468490 304499273 /nfs/dbraw/zinc/49/92/73/304499273.db2.gz OWZZYMIQEZESIO-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@](C[NH3+])(NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000237585598 273011022 /nfs/dbraw/zinc/01/10/22/273011022.db2.gz WVHQIVRCYSXYIL-HXUWFJFHSA-N 2 0 344.503 1.832 20 0 EDADRP C[C@@H](C(=O)N1CCO[C@@H](C[NH3+])C1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000274767955 268201963 /nfs/dbraw/zinc/20/19/63/268201963.db2.gz JEBKWCFNMMBXOI-LPHOPBHVSA-N 2 0 345.487 1.516 20 0 EDADRP COC(=O)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000103210756 272918753 /nfs/dbraw/zinc/91/87/53/272918753.db2.gz IZCPQTAOXHOMPK-UHFFFAOYSA-N 2 0 327.450 1.100 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000277026368 273177842 /nfs/dbraw/zinc/17/78/42/273177842.db2.gz JRGONTZXFWCLFS-ZBFHGGJFSA-N 2 0 347.488 1.902 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H](O)C[NH2+]1)c1ccccc1Cl ZINC000277586483 273209032 /nfs/dbraw/zinc/20/90/32/273209032.db2.gz OVMBYOXLCKKLGG-MAZHCROVSA-N 2 0 339.867 1.562 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCCCO ZINC000278985560 273277232 /nfs/dbraw/zinc/27/72/32/273277232.db2.gz ZSMPXCWEZRYEOI-HKUYNNGSSA-N 2 0 347.503 1.860 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)c1 ZINC000279495552 273302483 /nfs/dbraw/zinc/30/24/83/273302483.db2.gz SBZZLWQHJHMGTA-GJZGRUSLSA-N 2 0 332.448 1.469 20 0 EDADRP C[C@@H](CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000280716920 273389594 /nfs/dbraw/zinc/38/95/94/273389594.db2.gz FDUBNRIGHPCANW-QKYXUNIQSA-N 2 0 327.472 1.939 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NCC(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000280767031 273395835 /nfs/dbraw/zinc/39/58/35/273395835.db2.gz FWIHXCZQBCFAII-GFCCVEGCSA-N 2 0 329.391 1.659 20 0 EDADRP CO[C@@H](C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)c1ccccc1 ZINC000284519423 274231844 /nfs/dbraw/zinc/23/18/44/274231844.db2.gz WCGYQKXBCGQDSV-SFHVURJKSA-N 2 0 333.476 1.764 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000494654011 275983876 /nfs/dbraw/zinc/98/38/76/275983876.db2.gz MEBRLOZRBCSSAI-YQQAZPJKSA-N 2 0 325.497 1.708 20 0 EDADRP CCC[C@@H](C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1)[NH+](C)C ZINC000367088567 276020925 /nfs/dbraw/zinc/02/09/25/276020925.db2.gz BYNZFURYTIRAIW-OALUTQOASA-N 2 0 346.519 1.822 20 0 EDADRP CC[NH2+]CCNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417020116 276265680 /nfs/dbraw/zinc/26/56/80/276265680.db2.gz MAMYUSRXWULEHR-SFHVURJKSA-N 2 0 347.507 1.274 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)CC1 ZINC000366327727 276885817 /nfs/dbraw/zinc/88/58/17/276885817.db2.gz SVVOWDUVCRBFJA-QZTJIDSGSA-N 2 0 336.524 1.426 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000262631388 277105094 /nfs/dbraw/zinc/10/50/94/277105094.db2.gz FHIWQGAXWAQRKQ-CEXWTWQISA-N 2 0 344.503 1.609 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)CC1 ZINC000414985556 277151520 /nfs/dbraw/zinc/15/15/20/277151520.db2.gz NAWGXCFXMNBVTI-AWEZNQCLSA-N 2 0 336.446 1.675 20 0 EDADRP COC1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000246735001 277179522 /nfs/dbraw/zinc/17/95/22/277179522.db2.gz YPICGSHEVXLCOC-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000349904116 277222837 /nfs/dbraw/zinc/22/28/37/277222837.db2.gz PDWDLNLSOXEGHG-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422881871 278044527 /nfs/dbraw/zinc/04/45/27/278044527.db2.gz RCLGMCCXLTYNSG-QFBILLFUSA-N 2 0 344.503 1.833 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1)C1CC1 ZINC000338477602 279198855 /nfs/dbraw/zinc/19/88/55/279198855.db2.gz NCWQVFCKNSYMMI-KRWDZBQOSA-N 2 0 339.528 1.042 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000183943009 279209106 /nfs/dbraw/zinc/20/91/06/279209106.db2.gz YJBDSUCNMBBNBQ-GOSISDBHSA-N 2 0 333.476 1.472 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)CC1 ZINC000348067755 279260947 /nfs/dbraw/zinc/26/09/47/279260947.db2.gz GEMOVYVFKQKKEF-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000249092519 279280709 /nfs/dbraw/zinc/28/07/09/279280709.db2.gz HHMBTYFEHGNDLY-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000344651926 279354056 /nfs/dbraw/zinc/35/40/56/279354056.db2.gz ZSODQQSLILXURC-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417750625 279361152 /nfs/dbraw/zinc/36/11/52/279361152.db2.gz NTQBXTGBJKFZLC-MRXNPFEDSA-N 2 0 339.528 1.221 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CCOCC1 ZINC000261626866 279665840 /nfs/dbraw/zinc/66/58/40/279665840.db2.gz COSMDDKLPJROQK-OAHLLOKOSA-N 2 0 341.521 1.218 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116600 288162580 /nfs/dbraw/zinc/16/25/80/288162580.db2.gz QOQOBYJNRJBYMV-WBVHZDCISA-N 2 0 334.464 1.487 20 0 EDADRP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000367552961 280010974 /nfs/dbraw/zinc/01/09/74/280010974.db2.gz OSCMFSDPLUOSRI-XHSDSOJGSA-N 2 0 329.510 1.263 20 0 EDADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371109288 280283446 /nfs/dbraw/zinc/28/34/46/280283446.db2.gz VBIUJCTVUZEXAN-JKSUJKDBSA-N 2 0 348.491 1.848 20 0 EDADRP CC[C@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CC[N@@H+]1C[C@H](C)O ZINC000372098706 281152411 /nfs/dbraw/zinc/15/24/11/281152411.db2.gz MREKRBZYKSKVJP-HOTGVXAUSA-N 2 0 348.491 1.330 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1CCCCCC1=O ZINC000347991999 289113409 /nfs/dbraw/zinc/11/34/09/289113409.db2.gz DNSTZMLKYFXSOL-UHFFFAOYSA-N 2 0 340.512 1.121 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000291628507 289130682 /nfs/dbraw/zinc/13/06/82/289130682.db2.gz SCTPHYRBZNUATF-UHFFFAOYSA-N 2 0 328.464 1.417 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000291641843 289135755 /nfs/dbraw/zinc/13/57/55/289135755.db2.gz AKEWUGFBIJNGBQ-UHFFFAOYSA-N 2 0 343.475 1.651 20 0 EDADRP CN(CC1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351567472 289224199 /nfs/dbraw/zinc/22/41/99/289224199.db2.gz IVIIBWRQSGEFNK-UHFFFAOYSA-N 2 0 339.505 1.711 20 0 EDADRP CN(CCCNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292055602 289250473 /nfs/dbraw/zinc/25/04/73/289250473.db2.gz CATOAQNOPSCRMO-FQEVSTJZSA-N 2 0 344.503 1.657 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C[C@@H](C)O1 ZINC000363834552 296993386 /nfs/dbraw/zinc/99/33/86/296993386.db2.gz WGSUHYKPPNDTOH-GPMSIDNRSA-N 2 0 349.519 1.676 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000422776778 295121679 /nfs/dbraw/zinc/12/16/79/295121679.db2.gz DLWJRPNDIZLTMP-FGTMMUONSA-N 2 0 334.460 1.993 20 0 EDADRP [NH3+]C1(C(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)Cc2ccccc2C1 ZINC000370770622 295202352 /nfs/dbraw/zinc/20/23/52/295202352.db2.gz DQMIXTXJAUIBDX-KSZLIROESA-N 2 0 325.456 1.425 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@H](C[NH3+])OC)[NH+]2CCCC2)cc1 ZINC000262819068 295241516 /nfs/dbraw/zinc/24/15/16/295241516.db2.gz GQIHKMIFLTUTHO-SJORKVTESA-N 2 0 335.448 1.312 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418605082 304517905 /nfs/dbraw/zinc/51/79/05/304517905.db2.gz PJAJKWLIWHUNSV-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418631225 304521457 /nfs/dbraw/zinc/52/14/57/304521457.db2.gz XROMSVGXOWKYDU-QGZVFWFLSA-N 2 0 333.480 1.672 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418844039 304540281 /nfs/dbraw/zinc/54/02/81/304540281.db2.gz LDCLBCATUBOZCW-MRXNPFEDSA-N 2 0 346.475 1.182 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000418936258 304552971 /nfs/dbraw/zinc/55/29/71/304552971.db2.gz NDQZBHQCZFWHSC-UHFFFAOYSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344046916 298101696 /nfs/dbraw/zinc/10/16/96/298101696.db2.gz XZPIARMXNASZQN-KZNAEPCWSA-N 2 0 340.556 1.695 20 0 EDADRP C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000187957937 300048646 /nfs/dbraw/zinc/04/86/46/300048646.db2.gz DNHAHKMQIYBRIO-XKGZKEIXSA-N 2 0 347.503 1.888 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000419667725 304656182 /nfs/dbraw/zinc/65/61/82/304656182.db2.gz SKYUFBOXOSQFAR-UHFFFAOYSA-N 2 0 338.496 1.016 20 0 EDADRP CC(C)C[C@H]([NH3+])CN1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000414751702 447321184 /nfs/dbraw/zinc/32/11/84/447321184.db2.gz SYBQELUGXIKFCH-KRWDZBQOSA-N 2 0 340.556 1.776 20 0 EDADRP C[C@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737963 303141259 /nfs/dbraw/zinc/14/12/59/303141259.db2.gz CBHPNRPJTOOSKU-PKOBYXMFSA-N 2 0 331.504 1.943 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000296349991 303312540 /nfs/dbraw/zinc/31/25/40/303312540.db2.gz IYUSYXPCTVIMOA-KRWDZBQOSA-N 2 0 346.519 1.828 20 0 EDADRP Clc1cc(C[NH2+]CCN2CC[NH2+]CC2)cc2c1OCCCO2 ZINC000414861479 447331627 /nfs/dbraw/zinc/33/16/27/447331627.db2.gz FUBRHFSCPOLCPX-UHFFFAOYSA-N 2 0 325.840 1.496 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000414865866 447334534 /nfs/dbraw/zinc/33/45/34/447334534.db2.gz ZVGZINPRNPPOII-GOEBONIOSA-N 2 0 349.475 1.688 20 0 EDADRP COc1c(Br)cccc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414865597 447334653 /nfs/dbraw/zinc/33/46/53/447334653.db2.gz DJZDUUGSWKHKJW-UHFFFAOYSA-N 2 0 328.254 1.453 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390549804 303849550 /nfs/dbraw/zinc/84/95/50/303849550.db2.gz JQQSPLRGAPFUJZ-VQTJNVASSA-N 3 0 330.520 1.911 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)NC[C@@H]2C[NH2+]CCCO2)c1 ZINC000414890645 447344724 /nfs/dbraw/zinc/34/47/24/447344724.db2.gz UNJKUJIIWWUXKU-INIZCTEOSA-N 2 0 336.436 1.127 20 0 EDADRP [NH3+]C1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000422914957 304880025 /nfs/dbraw/zinc/88/00/25/304880025.db2.gz WUZRKWCOVBIYDI-UHFFFAOYSA-N 3 0 344.503 1.872 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000423417584 304895139 /nfs/dbraw/zinc/89/51/39/304895139.db2.gz GZZFUYSRTFODDD-MRXNPFEDSA-N 2 0 337.508 1.916 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]([NH3+])CC(F)F ZINC000423743227 304907482 /nfs/dbraw/zinc/90/74/82/304907482.db2.gz JTLKDSCKPHYONK-ZDUSSCGKSA-N 2 0 335.345 1.838 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1 ZINC000424008616 304924912 /nfs/dbraw/zinc/92/49/12/304924912.db2.gz IMFJAVNVODMEJC-OKZBNKHCSA-N 2 0 327.403 1.649 20 0 EDADRP CCOc1cc(C[NH2+][C@@H](C)CC[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000414895854 447347951 /nfs/dbraw/zinc/34/79/51/447347951.db2.gz NNNXBBVIIMSLOV-UONOGXRCSA-N 2 0 337.464 1.768 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034012 305004747 /nfs/dbraw/zinc/00/47/47/305004747.db2.gz BQNIGBLWVDSDDS-WMLDXEAASA-N 2 0 327.428 1.747 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)CC1 ZINC000429023145 305023033 /nfs/dbraw/zinc/02/30/33/305023033.db2.gz VBHVFWCRDPRQFF-JFIYKMOQSA-N 2 0 336.524 1.249 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000430572510 305056529 /nfs/dbraw/zinc/05/65/29/305056529.db2.gz KETLHJBOEXXBNE-UHFFFAOYSA-N 2 0 339.430 1.945 20 0 EDADRP C[C@](C[NH3+])(NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000430586477 305057213 /nfs/dbraw/zinc/05/72/13/305057213.db2.gz YPDWEZGMYSLGIQ-HXUWFJFHSA-N 2 0 344.503 1.616 20 0 EDADRP O=C([C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000430599802 305057866 /nfs/dbraw/zinc/05/78/66/305057866.db2.gz BCYBZMPQZCMSJF-ZDUSSCGKSA-N 2 0 337.386 1.099 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000430675846 305062020 /nfs/dbraw/zinc/06/20/20/305062020.db2.gz AORKBVZQODXKTD-UHFFFAOYSA-N 2 0 348.495 1.457 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000430679517 305062199 /nfs/dbraw/zinc/06/21/99/305062199.db2.gz MFESVHQOYZDJDI-UHFFFAOYSA-N 2 0 331.460 1.972 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000430815225 305065278 /nfs/dbraw/zinc/06/52/78/305065278.db2.gz OUUKNTALXFYVSK-HNNXBMFYSA-N 2 0 346.479 1.151 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[NH2+]CC2CC2)C1 ZINC000430878529 305066799 /nfs/dbraw/zinc/06/67/99/305066799.db2.gz JESRRUKRDYAKEN-MRXNPFEDSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@@H](C[NH3+])N(C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000430923316 305068337 /nfs/dbraw/zinc/06/83/37/305068337.db2.gz CVAOSMZDYBMTTE-AWEZNQCLSA-N 2 0 336.505 1.453 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@@H]1[NH3+] ZINC000430942635 305069756 /nfs/dbraw/zinc/06/97/56/305069756.db2.gz MOAINXRKOHCPOO-YJBOKZPZSA-N 2 0 348.466 1.534 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000430960992 305071163 /nfs/dbraw/zinc/07/11/63/305071163.db2.gz AXNCYDQBCYBLTF-SFHVURJKSA-N 2 0 347.459 1.741 20 0 EDADRP Cc1cccc(OCCNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431032586 305073194 /nfs/dbraw/zinc/07/31/94/305073194.db2.gz DFBAFHRZPYFWCS-UHFFFAOYSA-N 2 0 331.460 1.566 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431038761 305073573 /nfs/dbraw/zinc/07/35/73/305073573.db2.gz PGODCRVGCBGPFQ-UHFFFAOYSA-N 2 0 331.460 1.429 20 0 EDADRP CC(C)[C@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000432824061 305095494 /nfs/dbraw/zinc/09/54/94/305095494.db2.gz NKDZDODHAZBUAR-MRXNPFEDSA-N 2 0 327.513 1.419 20 0 EDADRP COc1ccc(O[C@H](C)CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433125867 305101151 /nfs/dbraw/zinc/10/11/51/305101151.db2.gz MENPUQVWQXQGOC-OAHLLOKOSA-N 2 0 349.475 1.782 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127765 305101173 /nfs/dbraw/zinc/10/11/73/305101173.db2.gz UIFMTGWVLLIPHA-BBWFWOEESA-N 3 0 338.540 1.672 20 0 EDADRP COC(=O)COc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433132370 305101344 /nfs/dbraw/zinc/10/13/44/305101344.db2.gz BOQLTYDAMMBYBZ-UHFFFAOYSA-N 2 0 349.431 1.380 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433157324 305101849 /nfs/dbraw/zinc/10/18/49/305101849.db2.gz FOBBSHFRRKIWPV-IRXDYDNUSA-N 3 0 338.540 1.674 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCOc2ccc(Cl)cn2)CC1 ZINC000433156461 305102051 /nfs/dbraw/zinc/10/20/51/305102051.db2.gz JGNQVFJXRBGEIA-UHFFFAOYSA-N 2 0 340.855 1.433 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1)C(C)C ZINC000433326813 305105961 /nfs/dbraw/zinc/10/59/61/305105961.db2.gz PLEFJSMIGSYPTD-INIZCTEOSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000433382985 305107036 /nfs/dbraw/zinc/10/70/36/305107036.db2.gz GPLLNSRKFPNGBW-UONOGXRCSA-N 2 0 348.476 1.297 20 0 EDADRP C[C@H]1COCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000433456289 305109710 /nfs/dbraw/zinc/10/97/10/305109710.db2.gz LVOSBGZXUPIJNN-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000433472221 305110521 /nfs/dbraw/zinc/11/05/21/305110521.db2.gz VAUPTAHWEMLPQV-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434522044 305123997 /nfs/dbraw/zinc/12/39/97/305123997.db2.gz FHXSBHWHIMQMJN-ROUUACIJSA-N 2 0 337.508 1.913 20 0 EDADRP NC(=O)NC(=O)CC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435692788 305145512 /nfs/dbraw/zinc/14/55/12/305145512.db2.gz KEDHZDUFJXRSLW-ZDUSSCGKSA-N 2 0 336.461 1.277 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)C1 ZINC000436241956 305154925 /nfs/dbraw/zinc/15/49/25/305154925.db2.gz UFNXCRJPUWYUNB-CYBMUJFWSA-N 2 0 332.423 1.984 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1(C)C ZINC000444265454 305244954 /nfs/dbraw/zinc/24/49/54/305244954.db2.gz FONQNUXQRHLIET-FRQCXROJSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000444348190 305246360 /nfs/dbraw/zinc/24/63/60/305246360.db2.gz BBIKDZYIWLKCRJ-WCVJEAGWSA-N 2 0 325.497 1.551 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000444378303 305247726 /nfs/dbraw/zinc/24/77/26/305247726.db2.gz HJVBSJSGMCJLMQ-OAHLLOKOSA-N 2 0 333.476 1.665 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000446378955 305264120 /nfs/dbraw/zinc/26/41/20/305264120.db2.gz XZXOZWZLCGMXNQ-YZLZLFLDSA-N 2 0 349.519 1.996 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000447566117 305282236 /nfs/dbraw/zinc/28/22/36/305282236.db2.gz QMBBUWYOMQZPSI-PBHCIXSXSA-N 2 0 325.497 1.186 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000448260700 305294758 /nfs/dbraw/zinc/29/47/58/305294758.db2.gz MWZLOTDYCHCXOZ-OAHLLOKOSA-N 2 0 340.512 1.205 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000449148586 305307980 /nfs/dbraw/zinc/30/79/80/305307980.db2.gz KTIJZHBPHAZBLU-INIZCTEOSA-N 2 0 325.497 1.773 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000449345034 305312100 /nfs/dbraw/zinc/31/21/00/305312100.db2.gz UAYSHMGCOLVNSG-CRAIPNDOSA-N 2 0 349.475 1.115 20 0 EDADRP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000450129582 305325529 /nfs/dbraw/zinc/32/55/29/305325529.db2.gz AMZUDERFEPSNSH-MRXNPFEDSA-N 2 0 347.459 1.555 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC(C)(C)C[NH+]1CCCC1 ZINC000496609635 305671968 /nfs/dbraw/zinc/67/19/68/305671968.db2.gz ZZELAXPBGHGAHT-UHFFFAOYSA-N 2 0 341.500 1.747 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccc3ccccc3c2)CC1 ZINC000514846333 305707295 /nfs/dbraw/zinc/70/72/95/305707295.db2.gz YOEIBAMXMHLMGS-IBGZPJMESA-N 2 0 343.471 1.417 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000514860243 305707886 /nfs/dbraw/zinc/70/78/86/305707886.db2.gz BBLDCDBVRHHGQR-ZWKOTPCHSA-N 2 0 346.475 1.322 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449126387 447364148 /nfs/dbraw/zinc/36/41/48/447364148.db2.gz UYSAYLRTEDMTOY-HNNXBMFYSA-N 2 0 345.466 1.952 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000529318202 305908517 /nfs/dbraw/zinc/90/85/17/305908517.db2.gz RRBCSGKSJGRNKR-YESZJQIVSA-N 2 0 338.496 1.004 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532230527 305977204 /nfs/dbraw/zinc/97/72/04/305977204.db2.gz DBMBXERWOQYGOG-CABCVRRESA-N 2 0 330.476 1.858 20 0 EDADRP C[C@@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896827 306049333 /nfs/dbraw/zinc/04/93/33/306049333.db2.gz HWANZTRJWSHBIW-UZLBHIALSA-N 2 0 343.471 1.390 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2C)C1 ZINC000543251043 306061907 /nfs/dbraw/zinc/06/19/07/306061907.db2.gz DMCANAKNFSQMLB-VMGRFDJRSA-N 2 0 325.416 1.675 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000552049955 306174488 /nfs/dbraw/zinc/17/44/88/306174488.db2.gz KPGMWMJTQLRTFY-LSDHHAIUSA-N 2 0 346.475 1.694 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000555006997 306199630 /nfs/dbraw/zinc/19/96/30/306199630.db2.gz YRKDJQFYRIYWSI-UHFFFAOYSA-N 3 0 346.519 1.848 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CSC[C@H]1CCCCO1 ZINC000556689987 306214102 /nfs/dbraw/zinc/21/41/02/306214102.db2.gz CBLRXSORQWIVID-OAHLLOKOSA-N 2 0 331.526 1.241 20 0 EDADRP CN(CCC[NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000557133905 306224611 /nfs/dbraw/zinc/22/46/11/306224611.db2.gz FBZNCWQMYDKQQT-UHFFFAOYSA-N 2 0 347.507 1.185 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000557220161 306226813 /nfs/dbraw/zinc/22/68/13/306226813.db2.gz KBTXKFQARGXQMX-OAGGEKHMSA-N 2 0 338.496 1.302 20 0 EDADRP COC(=O)c1cc2c(o1)c(OC)ccc2CNC[C@@H]1C[NH2+]CCN1C ZINC000414970414 447378566 /nfs/dbraw/zinc/37/85/66/447378566.db2.gz GPRDKQHJHNOWFM-ZDUSSCGKSA-N 2 0 347.415 1.221 20 0 EDADRP CN(C)c1ncc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)s1 ZINC000414973829 447380657 /nfs/dbraw/zinc/38/06/57/447380657.db2.gz KWENQKXMHCEGDX-NSHDSACASA-N 2 0 337.415 1.135 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C(C)C ZINC000458496182 447388672 /nfs/dbraw/zinc/38/86/72/447388672.db2.gz JKUVCHDNGSXXOZ-KRWDZBQOSA-N 2 0 342.528 1.641 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000422184150 447392584 /nfs/dbraw/zinc/39/25/84/447392584.db2.gz XSCYFLVYLJSDMW-ZWKOTPCHSA-N 2 0 332.492 1.895 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)CC1 ZINC000422196390 447399989 /nfs/dbraw/zinc/39/99/89/447399989.db2.gz DOSIUAPPHIZHIT-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458568445 447415945 /nfs/dbraw/zinc/41/59/45/447415945.db2.gz JKRNDLNFELHUKN-JCYILVPMSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458594254 447425383 /nfs/dbraw/zinc/42/53/83/447425383.db2.gz ZYIFNILNBNVFLV-JCYILVPMSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000104102436 441190495 /nfs/dbraw/zinc/19/04/95/441190495.db2.gz UBVIMYSOBRYDRY-UHFFFAOYSA-N 2 0 349.500 1.954 20 0 EDADRP CCC(CC)[N@H+](CCOC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000102950310 441173172 /nfs/dbraw/zinc/17/31/72/441173172.db2.gz FIYYICDLDWVHLK-UHFFFAOYSA-N 2 0 325.497 1.866 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000080658462 441187612 /nfs/dbraw/zinc/18/76/12/441187612.db2.gz MPTRITVBGDRISK-AEFFLSMTSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000104533626 441197202 /nfs/dbraw/zinc/19/72/02/441197202.db2.gz INJOOVKIMJYNSI-UHFFFAOYSA-N 3 0 346.519 1.848 20 0 EDADRP COc1ccc(C[NH2+]CCN2CC[NH2+]CC2)cc1Br ZINC000020968562 441268247 /nfs/dbraw/zinc/26/82/47/441268247.db2.gz GUMOUJAHZBLTMD-UHFFFAOYSA-N 2 0 328.254 1.453 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000072963344 441279016 /nfs/dbraw/zinc/27/90/16/441279016.db2.gz BOYXPLMICMXRHL-ROUUACIJSA-N 2 0 338.540 1.498 20 0 EDADRP CC(C)[NH+](CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000106516322 441347754 /nfs/dbraw/zinc/34/77/54/441347754.db2.gz DVAWVJDJPRAZSW-INIZCTEOSA-N 2 0 327.517 1.040 20 0 EDADRP C[NH+]1CCN(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000063695620 441343683 /nfs/dbraw/zinc/34/36/83/441343683.db2.gz QCYLMGCZCDMSRW-UHFFFAOYSA-N 2 0 330.476 1.260 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CN1CC[NH+](CC)CC1 ZINC000073308035 441308387 /nfs/dbraw/zinc/30/83/87/441308387.db2.gz ZWRBYFPKGURHHY-UHFFFAOYSA-N 2 0 346.519 1.734 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000090121608 441621501 /nfs/dbraw/zinc/62/15/01/441621501.db2.gz XBHHUVSRGXLCAL-YJBOKZPZSA-N 3 0 332.492 1.408 20 0 EDADRP CCC[NH+]1CCC(N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114456930 441658788 /nfs/dbraw/zinc/65/87/88/441658788.db2.gz CBERVZAXMOHRKF-UHFFFAOYSA-N 2 0 338.540 1.782 20 0 EDADRP C[C@@H]1C[C@H](N(C)CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000158802758 441764839 /nfs/dbraw/zinc/76/48/39/441764839.db2.gz FDQVKIMJIBGHIY-QRQLOZEOSA-N 2 0 346.519 1.820 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)Cc1ccccc1 ZINC000158944888 441775066 /nfs/dbraw/zinc/77/50/66/441775066.db2.gz AYMBDRFTLAHWJQ-IAGOWNOFSA-N 2 0 335.517 1.713 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000173528668 441780950 /nfs/dbraw/zinc/78/09/50/441780950.db2.gz SJONEWREYHVZND-KRWDZBQOSA-N 2 0 339.528 1.045 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000121833588 441791454 /nfs/dbraw/zinc/79/14/54/441791454.db2.gz FXTUQMNWIQBRSD-JQHSSLGASA-N 2 0 331.460 1.616 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000173833670 441848594 /nfs/dbraw/zinc/84/85/94/441848594.db2.gz VWMJGVDXZRRLDY-GOSISDBHSA-N 2 0 330.476 1.828 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000077838492 441875997 /nfs/dbraw/zinc/87/59/97/441875997.db2.gz FKYSZZOMBJUNAP-MRXNPFEDSA-N 3 0 339.528 1.138 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124460105 441929287 /nfs/dbraw/zinc/92/92/87/441929287.db2.gz QZGIRONEBFKKCO-IMFGXOCKSA-N 2 0 345.487 1.612 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000079167436 442027124 /nfs/dbraw/zinc/02/71/24/442027124.db2.gz FVHQTIXPNWHAKE-UHFFFAOYSA-N 2 0 341.544 1.242 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000175457801 442066906 /nfs/dbraw/zinc/06/69/06/442066906.db2.gz YZRUCRYRBOIQMI-INIZCTEOSA-N 2 0 332.448 1.528 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CCC[NH2+]1 ZINC000175457819 442067234 /nfs/dbraw/zinc/06/72/34/442067234.db2.gz YZRUCRYRBOIQMI-MRXNPFEDSA-N 2 0 332.448 1.528 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000120636646 442109815 /nfs/dbraw/zinc/10/98/15/442109815.db2.gz DXWVWKKAYGARMN-WMLDXEAASA-N 2 0 346.475 1.628 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@H](C)C1 ZINC000151823127 442125564 /nfs/dbraw/zinc/12/55/64/442125564.db2.gz GDIDMVGFOLQLML-MJGOQNOKSA-N 3 0 341.540 1.417 20 0 EDADRP Cc1csc(N2CCC([NH2+]CCCN3CC[NH+](C)CC3)CC2)n1 ZINC000162498091 442098835 /nfs/dbraw/zinc/09/88/35/442098835.db2.gz LGKPCSSICGJPLE-UHFFFAOYSA-N 2 0 337.537 1.647 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000097105295 442169494 /nfs/dbraw/zinc/16/94/94/442169494.db2.gz CUBHQOHQARCWLQ-UHFFFAOYSA-N 2 0 330.476 1.212 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc(F)c1 ZINC000163945744 442186481 /nfs/dbraw/zinc/18/64/81/442186481.db2.gz GAFOQFZIQMSGPX-DOTOQJQBSA-N 2 0 346.406 1.533 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000166053465 442213466 /nfs/dbraw/zinc/21/34/66/442213466.db2.gz VPRPYHQOXBRMCW-RBSFLKMASA-N 2 0 348.495 1.299 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000167232390 442219962 /nfs/dbraw/zinc/21/99/62/442219962.db2.gz KOSNSVMTUWZCRZ-KRWDZBQOSA-N 2 0 335.448 1.012 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1)N1CC[NH+](C)CC1 ZINC000127816870 442227314 /nfs/dbraw/zinc/22/73/14/442227314.db2.gz ZKNMATOBYODHBE-HUUCEWRRSA-N 2 0 339.505 1.377 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153104709 442262275 /nfs/dbraw/zinc/26/22/75/442262275.db2.gz LCTNXZPDKIFGCQ-CKEIUWERSA-N 2 0 340.489 1.787 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000153164997 442265100 /nfs/dbraw/zinc/26/51/00/442265100.db2.gz FINCNRAZXPWTEY-MSOLQXFVSA-N 2 0 346.475 1.015 20 0 EDADRP C[N@H+](CC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[C@@H]1CCSC1 ZINC000153675513 442295265 /nfs/dbraw/zinc/29/52/65/442295265.db2.gz HQKSBAVGYJEKPK-JKSUJKDBSA-N 2 0 325.522 1.901 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000171152083 442320037 /nfs/dbraw/zinc/32/00/37/442320037.db2.gz UTWGKEAOEGSQOJ-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000177291098 442325580 /nfs/dbraw/zinc/32/55/80/442325580.db2.gz HBDJOUDLOHOZFJ-UHFFFAOYSA-N 2 0 329.448 1.224 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@H](C)C1 ZINC000129642859 442326621 /nfs/dbraw/zinc/32/66/21/442326621.db2.gz PODCVGNMBZEXGP-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP O=C(C[NH2+]C1CC1)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000154680486 442352045 /nfs/dbraw/zinc/35/20/45/442352045.db2.gz HDEGHVWKNKVRIU-UHFFFAOYSA-N 2 0 328.460 1.909 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130677597 442353165 /nfs/dbraw/zinc/35/31/65/442353165.db2.gz VNBZBMBCALRMOE-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@H+](C)CCNC(=O)c1ccc(N2CC[NH+](C(C)C)CC2)cc1 ZINC000171982912 442395957 /nfs/dbraw/zinc/39/59/57/442395957.db2.gz JEMCDXWNSCTGPD-UHFFFAOYSA-N 2 0 332.492 1.899 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(O)C2)CC1 ZINC000177978680 442399145 /nfs/dbraw/zinc/39/91/45/442399145.db2.gz BWQMRQLXPSEUSA-HXUWFJFHSA-N 2 0 345.487 1.532 20 0 EDADRP Cc1nccn1CCC[N@@H+](C)CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000130863635 442358324 /nfs/dbraw/zinc/35/83/24/442358324.db2.gz XDDHUOCWPDKGTA-KRWDZBQOSA-N 2 0 342.443 1.633 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000155666333 442417324 /nfs/dbraw/zinc/41/73/24/442417324.db2.gz LHIVYTGQKHXSBO-SJLPKXTDSA-N 2 0 339.524 1.874 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000155705097 442420426 /nfs/dbraw/zinc/42/04/26/442420426.db2.gz WJCVVHLFYJBOPI-MJGOQNOKSA-N 2 0 346.519 1.636 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155755857 442424780 /nfs/dbraw/zinc/42/47/80/442424780.db2.gz ZAPZORFFSDZEFQ-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP COC(=O)[C@]1(C)CC[NH+]([C@H](C)CC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324115 442425142 /nfs/dbraw/zinc/42/51/42/442425142.db2.gz WQLCBOSFAFBAPO-ZTFGCOKTSA-N 2 0 340.464 1.535 20 0 EDADRP COCc1cccc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000179233035 442602331 /nfs/dbraw/zinc/60/23/31/442602331.db2.gz STQCFMDDAQBGIP-GOSISDBHSA-N 2 0 331.460 1.571 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000186581571 442566379 /nfs/dbraw/zinc/56/63/79/442566379.db2.gz VCWPTFIJGRJBTN-ROUUACIJSA-N 2 0 338.540 1.783 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000173176377 442617159 /nfs/dbraw/zinc/61/71/59/442617159.db2.gz ALYGOZZBCJRJQR-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000157846882 442619879 /nfs/dbraw/zinc/61/98/79/442619879.db2.gz KBPCAKJFCZZRQX-UHFFFAOYSA-N 2 0 327.270 1.571 20 0 EDADRP Cc1cnc(CN2CCC(CC(=O)N3CCN(C)CC3)CC2)s1 ZINC000180584557 442627539 /nfs/dbraw/zinc/62/75/39/442627539.db2.gz BMDOKNKHIILIHS-UHFFFAOYSA-N 2 0 336.505 1.828 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000192741355 442682540 /nfs/dbraw/zinc/68/25/40/442682540.db2.gz VOXGAMPPMWNKJT-UHFFFAOYSA-N 2 0 340.556 1.181 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(Cc2nc(N(C)C)no2)CC1 ZINC000192773821 442684988 /nfs/dbraw/zinc/68/49/88/442684988.db2.gz GVQILQORYHMMGL-UHFFFAOYSA-N 2 0 339.484 1.706 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000181271963 442687520 /nfs/dbraw/zinc/68/75/20/442687520.db2.gz WWJMJVFOFHZVDU-UHFFFAOYSA-N 2 0 343.537 1.796 20 0 EDADRP C[C@@]1(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)CCCC[NH2+]1 ZINC000180988827 442673203 /nfs/dbraw/zinc/67/32/03/442673203.db2.gz KVTCZLKGFRVITI-MJGOQNOKSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182337917 442758693 /nfs/dbraw/zinc/75/86/93/442758693.db2.gz FMLZKEVUUGTKGP-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000246377519 442777480 /nfs/dbraw/zinc/77/74/80/442777480.db2.gz RHPJHKPJFOXRPS-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246816714 442815347 /nfs/dbraw/zinc/81/53/47/442815347.db2.gz SDKCLKKCKUGYCC-HZPDHXFCSA-N 2 0 338.496 1.128 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCC(=O)NC(=O)NC)CC1 ZINC000182749852 442818686 /nfs/dbraw/zinc/81/86/86/442818686.db2.gz OUDCAHKJBGICBF-UHFFFAOYSA-N 2 0 326.485 1.666 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000248890740 442935663 /nfs/dbraw/zinc/93/56/63/442935663.db2.gz WONMXJQWTBCNNX-IKGGRYGDSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNc2cc[nH+]cc2C(N)=O)c1 ZINC000184107024 442992597 /nfs/dbraw/zinc/99/25/97/442992597.db2.gz TYFGZBAUZZQKPL-UHFFFAOYSA-N 2 0 341.415 1.084 20 0 EDADRP CO[C@@H]1C[NH+](CCOCC[N@@H+]2CC[C@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780146 443016800 /nfs/dbraw/zinc/01/68/00/443016800.db2.gz LIPJKSTUGNDPAD-WNRNVDISSA-N 2 0 328.497 1.717 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2CCC([NH+]3CCCCC3)CC2)C1(C)C ZINC000261758655 443168280 /nfs/dbraw/zinc/16/82/80/443168280.db2.gz VNQJKUZIOFZNOG-LPHOPBHVSA-N 2 0 337.508 1.996 20 0 EDADRP CC[N@H+](CCCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000266596079 443180021 /nfs/dbraw/zinc/18/00/21/443180021.db2.gz VQXMUTJKXXEDPP-UHFFFAOYSA-N 2 0 347.503 1.734 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000299447615 318903734 /nfs/dbraw/zinc/90/37/34/318903734.db2.gz SEFDZUHJOBUHLA-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000268958206 443159255 /nfs/dbraw/zinc/15/92/55/443159255.db2.gz DZJILDSFOKHFKN-UHFFFAOYSA-N 2 0 331.504 1.740 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000269230356 443241569 /nfs/dbraw/zinc/24/15/69/443241569.db2.gz CMIGVDQMEKIDJW-GOSISDBHSA-N 2 0 347.459 1.208 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)c2cccs2)CC1 ZINC000269234653 443243382 /nfs/dbraw/zinc/24/33/82/443243382.db2.gz MANOGFBMQBNJQP-SOUVJXGZSA-N 2 0 337.489 1.360 20 0 EDADRP CCC1(O)CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000266709266 443215610 /nfs/dbraw/zinc/21/56/10/443215610.db2.gz DBTBHIKYVWQTEI-UHFFFAOYSA-N 2 0 345.487 1.568 20 0 EDADRP COC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000383430645 319125551 /nfs/dbraw/zinc/12/55/51/319125551.db2.gz BSNRRKZYASRGKP-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000397531518 319135314 /nfs/dbraw/zinc/13/53/14/319135314.db2.gz ZRFUONUVIMSMOL-UHFFFAOYSA-N 2 0 341.496 1.869 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269252165 443251309 /nfs/dbraw/zinc/25/13/09/443251309.db2.gz HVXIBSDSFWPONH-NZSAHSFTSA-N 2 0 345.487 1.876 20 0 EDADRP C[NH+](C)CCN(C(=O)C(=O)Nc1ccn2ccnc2c1)C1CCCC1 ZINC000411396260 319182060 /nfs/dbraw/zinc/18/20/60/319182060.db2.gz WRHOMHSTILHQNF-UHFFFAOYSA-N 2 0 343.431 1.606 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccc(OC)c(OC)c2)CC1 ZINC000411457816 319183150 /nfs/dbraw/zinc/18/31/50/319183150.db2.gz NWRFUVWAGICDNE-AWEZNQCLSA-N 2 0 349.475 1.955 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1nccn2ccnc12 ZINC000266812894 443252675 /nfs/dbraw/zinc/25/26/75/443252675.db2.gz IANKVJFEMYRDJV-OAHLLOKOSA-N 2 0 344.463 1.217 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H]2CCN(C)[C@@H]2c2ccccc2)CC1 ZINC000411689708 319196137 /nfs/dbraw/zinc/19/61/37/319196137.db2.gz GDZJZUYVVZQSIJ-AZUAARDMSA-N 2 0 344.503 1.622 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269257635 443253688 /nfs/dbraw/zinc/25/36/88/443253688.db2.gz UDNLIGQBFWQLPW-LJQANCHMSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)c1ccn(C)n1 ZINC000414064700 319314958 /nfs/dbraw/zinc/31/49/58/319314958.db2.gz FBPKDJPPQIUMFB-INIZCTEOSA-N 2 0 343.479 1.463 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCF)(N2CCOCC2)CC1 ZINC000414202701 319318951 /nfs/dbraw/zinc/31/89/51/319318951.db2.gz UNFVLMSBUBMISW-IRXDYDNUSA-N 2 0 327.488 1.901 20 0 EDADRP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201867 319319168 /nfs/dbraw/zinc/31/91/68/319319168.db2.gz YIBAZZPCTRORMV-KBPBESRZSA-N 2 0 325.478 1.717 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000414677282 319340094 /nfs/dbraw/zinc/34/00/94/319340094.db2.gz ITPFQZNRCDZOSU-OAHLLOKOSA-N 2 0 334.464 1.437 20 0 EDADRP CC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414680638 319341138 /nfs/dbraw/zinc/34/11/38/319341138.db2.gz NHKAUEUEDOOSLO-HNNXBMFYSA-N 2 0 333.432 1.435 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)oc1C ZINC000414684765 319342299 /nfs/dbraw/zinc/34/22/99/319342299.db2.gz WPEQVEXDQNKZIC-ZDUSSCGKSA-N 2 0 337.420 1.004 20 0 EDADRP CC(C)(C)[NH2+]CCN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000414688535 319342779 /nfs/dbraw/zinc/34/27/79/319342779.db2.gz JCILHVPJUABNAL-UHFFFAOYSA-N 2 0 325.419 1.961 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CC[NH2+]1 ZINC000415085136 319346363 /nfs/dbraw/zinc/34/63/63/319346363.db2.gz QHXBCTSNQMYURT-IXDOHACOSA-N 2 0 331.460 1.644 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000415176890 319347430 /nfs/dbraw/zinc/34/74/30/319347430.db2.gz YNYORJRFKVDPNL-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000415223825 319354175 /nfs/dbraw/zinc/35/41/75/319354175.db2.gz AIDYICAXFVAUNF-AWEZNQCLSA-N 2 0 335.452 1.486 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415893129 319382541 /nfs/dbraw/zinc/38/25/41/319382541.db2.gz KAMXIXSXZVUDRL-CXAGYDPISA-N 2 0 332.448 1.251 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000415971096 319386203 /nfs/dbraw/zinc/38/62/03/319386203.db2.gz JCYSZIAKEDUEDH-OAHLLOKOSA-N 2 0 347.463 1.115 20 0 EDADRP C[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000266837726 443261952 /nfs/dbraw/zinc/26/19/52/443261952.db2.gz MLQXAHKTMATUSN-ZWKOTPCHSA-N 2 0 346.519 1.507 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000272445831 443320913 /nfs/dbraw/zinc/32/09/13/443320913.db2.gz LWCWOKLQNXBERF-IEBWSBKVSA-N 2 0 342.487 1.780 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416953182 319483989 /nfs/dbraw/zinc/48/39/89/319483989.db2.gz TXBODGNUWGHKAP-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417369887 319494921 /nfs/dbraw/zinc/49/49/21/319494921.db2.gz SUYOJPNHVKTAHB-OAHLLOKOSA-N 2 0 334.464 1.378 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000417480100 319495783 /nfs/dbraw/zinc/49/57/83/319495783.db2.gz LPNZHQFLMDEBON-RHSMWYFYSA-N 2 0 334.464 1.506 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619904 443385525 /nfs/dbraw/zinc/38/55/25/443385525.db2.gz UJHYZTAFUOMSAL-FUHWJXTLSA-N 2 0 348.466 1.993 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1)[NH+](C)C ZINC000269665954 443387280 /nfs/dbraw/zinc/38/72/80/443387280.db2.gz JGVYGNKWKPWTNK-DOTOQJQBSA-N 2 0 333.480 1.747 20 0 EDADRP COC[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)OC ZINC000272639983 443392457 /nfs/dbraw/zinc/39/24/57/443392457.db2.gz CKNICRZOGDLJQD-CQSZACIVSA-N 2 0 341.883 1.843 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420369099 319611488 /nfs/dbraw/zinc/61/14/88/319611488.db2.gz BNLDAKVYTICDGP-RDJZCZTQSA-N 2 0 325.497 1.757 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000267251689 443394126 /nfs/dbraw/zinc/39/41/26/443394126.db2.gz OKCQQVSYMQHALC-UONOGXRCSA-N 2 0 336.455 1.882 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272654433 443398367 /nfs/dbraw/zinc/39/83/67/443398367.db2.gz LFZVPPHEOYLORG-HKUYNNGSSA-N 3 0 331.504 1.943 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000278996335 443484537 /nfs/dbraw/zinc/48/45/37/443484537.db2.gz LOTRLEJJZSUGOJ-CQSZACIVSA-N 2 0 327.432 1.843 20 0 EDADRP COc1ccc([C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422975036 319744141 /nfs/dbraw/zinc/74/41/41/319744141.db2.gz SATYYUPLALSTGD-QRQLOZEOSA-N 2 0 333.476 1.535 20 0 EDADRP CC(C)C(=O)NCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423016068 319746266 /nfs/dbraw/zinc/74/62/66/319746266.db2.gz SGEYZYQYXYRQQP-VQIMIIECSA-N 2 0 331.460 1.994 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423363988 319767201 /nfs/dbraw/zinc/76/72/01/319767201.db2.gz CFJGLGWZYOFSBI-XEZPLFJOSA-N 2 0 325.478 1.586 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCCC[C@H]3[NH3+])cn2)CC1 ZINC000423719956 319806585 /nfs/dbraw/zinc/80/65/85/319806585.db2.gz CTRBVZMYEBAVAS-GDBMZVCRSA-N 2 0 331.464 1.680 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000279320354 443555221 /nfs/dbraw/zinc/55/52/21/443555221.db2.gz XLGOISLXCUOVII-UHFFFAOYSA-N 2 0 339.443 1.727 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000432518653 319955587 /nfs/dbraw/zinc/95/55/87/319955587.db2.gz YASPRCYOEKFHLS-PBHICJAKSA-N 2 0 333.501 1.963 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COCC(F)(F)F)CC1 ZINC000432779934 319965143 /nfs/dbraw/zinc/96/51/43/319965143.db2.gz ITQBDJXZRZZMIF-AWEZNQCLSA-N 2 0 326.403 1.980 20 0 EDADRP CC[C@](C)(OC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279981870 443652484 /nfs/dbraw/zinc/65/24/84/443652484.db2.gz FNEMBWJLXRMUBZ-SFHVURJKSA-N 2 0 334.464 1.525 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740992 320203499 /nfs/dbraw/zinc/20/34/99/320203499.db2.gz IMTNYFBCZKXXQB-AEFFLSMTSA-N 2 0 328.460 1.019 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCCC[C@H]1C ZINC000457724561 320333564 /nfs/dbraw/zinc/33/35/64/320333564.db2.gz ZANORGKDIKHMFQ-ZACQAIPSSA-N 2 0 340.512 1.395 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457733098 320334063 /nfs/dbraw/zinc/33/40/63/320334063.db2.gz FIDRRNWSWOUAMX-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000458694036 320338628 /nfs/dbraw/zinc/33/86/28/320338628.db2.gz RNIIHCDFDCNKNF-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000458711231 320339202 /nfs/dbraw/zinc/33/92/02/320339202.db2.gz XCTXZKUBLWWLDC-IBGZPJMESA-N 2 0 334.508 1.988 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)Cc2ccccc2C1 ZINC000280802213 443746161 /nfs/dbraw/zinc/74/61/61/443746161.db2.gz KWDHRNFSPFCUJM-YLJYHZDGSA-N 2 0 327.472 1.592 20 0 EDADRP C[C@@H]1Oc2ccccc2[C@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000519044035 320462673 /nfs/dbraw/zinc/46/26/73/320462673.db2.gz XOZKSKGQALOFRK-YOEHRIQHSA-N 2 0 334.464 1.643 20 0 EDADRP C[C@@H](O)CNc1cc(N2CCCN(Cc3cscn3)CC2)ncn1 ZINC000298249830 443729561 /nfs/dbraw/zinc/72/95/61/443729561.db2.gz MYEKGNIJCIXAJB-CYBMUJFWSA-N 2 0 348.476 1.438 20 0 EDADRP CC[C@H]1CO[C@H](C)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000298268914 443734302 /nfs/dbraw/zinc/73/43/02/443734302.db2.gz GDYRWTLCXDFBQM-SJORKVTESA-N 2 0 346.475 1.620 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)[C@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000280825847 443752752 /nfs/dbraw/zinc/75/27/52/443752752.db2.gz KMRGWHKRWKHNNJ-SZMVWBNQSA-N 2 0 336.476 1.923 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000292103829 443776692 /nfs/dbraw/zinc/77/66/92/443776692.db2.gz VQNODZUFBPNYKG-PBHICJAKSA-N 2 0 327.432 1.882 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CCC[N@H+](C)CC2)[NH+](C)C)c1 ZINC000298638573 443825499 /nfs/dbraw/zinc/82/54/99/443825499.db2.gz FJGOCIFISICVDU-KRWDZBQOSA-N 2 0 334.464 1.645 20 0 EDADRP COc1cc(C[NH+]2CC[C@@](C)(O)C2)cc(C[N@@H+]2CC[C@@](C)(O)C2)c1 ZINC000292751622 443834617 /nfs/dbraw/zinc/83/46/17/443834617.db2.gz WWPRYVSIJVRHCU-RTBURBONSA-N 2 0 334.460 1.609 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000298601465 443812868 /nfs/dbraw/zinc/81/28/68/443812868.db2.gz AIOAWUSSZQJFKS-OAHLLOKOSA-N 2 0 342.509 1.618 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C)C(=O)NC(N)=O ZINC000298887217 443892644 /nfs/dbraw/zinc/89/26/44/443892644.db2.gz SJCXKNXBAVQTOP-ZIAGYGMSSA-N 2 0 332.448 1.734 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](O)C12CCCC2)c1ccccc1 ZINC000292831228 443854682 /nfs/dbraw/zinc/85/46/82/443854682.db2.gz UDXPORUJCUSCHC-QZTJIDSGSA-N 2 0 345.487 1.785 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000288638251 443941382 /nfs/dbraw/zinc/94/13/82/443941382.db2.gz XFAXETGWTANUQA-INIZCTEOSA-N 2 0 349.475 1.204 20 0 EDADRP Cc1cnc([C@@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000546043591 320808155 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EDADRP CN1CCN(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)[C@H](C[NH3+])C1 ZINC000561214893 321036362 /nfs/dbraw/zinc/03/63/62/321036362.db2.gz DYTFBIPDXUYSNN-MSOLQXFVSA-N 2 0 341.459 1.124 20 0 EDADRP CC[C@H]1CCC[C@@H](NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000561516933 321041892 /nfs/dbraw/zinc/04/18/92/321041892.db2.gz OHKGKLWSDGSOGC-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000562733573 321074094 /nfs/dbraw/zinc/07/40/94/321074094.db2.gz CETHFHKEMUGXMQ-SOAGJPPSSA-N 2 0 331.504 1.911 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)C2)CC1 ZINC000563073811 321093637 /nfs/dbraw/zinc/09/36/37/321093637.db2.gz PTIGLEBNFFXETH-AEFFLSMTSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000563075145 321094054 /nfs/dbraw/zinc/09/40/54/321094054.db2.gz YHPXHRKZOHYTLO-KBXCAEBGSA-N 2 0 331.460 1.258 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)C[C@H](C)O1 ZINC000564187885 321123202 /nfs/dbraw/zinc/12/32/02/321123202.db2.gz LNQGXHWITDMNKO-IYBDPMFKSA-N 2 0 348.491 1.786 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000564910709 321155736 /nfs/dbraw/zinc/15/57/36/321155736.db2.gz LNEAOABUZRYWRM-MRXNPFEDSA-N 2 0 347.507 1.474 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000565361179 321183433 /nfs/dbraw/zinc/18/34/33/321183433.db2.gz IEMDSFBNSIMPKT-CLCXKQKWSA-N 2 0 335.492 1.511 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000565765725 321199798 /nfs/dbraw/zinc/19/97/98/321199798.db2.gz IGVPFSNYGQJOIA-KRWDZBQOSA-N 2 0 330.476 1.905 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000566089066 321214244 /nfs/dbraw/zinc/21/42/44/321214244.db2.gz IWERTNRSMSUWCW-NQYYFHDYSA-N 2 0 333.476 1.229 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000566107551 321215814 /nfs/dbraw/zinc/21/58/14/321215814.db2.gz MZCHNVXVWNFQCA-CRAIPNDOSA-N 2 0 349.475 1.706 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCCO[C@@H](C[NH3+])C3)ccc21 ZINC000566737995 321232892 /nfs/dbraw/zinc/23/28/92/321232892.db2.gz LXYUNERCLCLCEF-INIZCTEOSA-N 2 0 330.432 1.180 20 0 EDADRP [NH3+]C1(CNC(=O)c2cc[nH]c(=O)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000567841833 321261891 /nfs/dbraw/zinc/26/18/91/321261891.db2.gz RMEIEXBRZSROPE-UHFFFAOYSA-N 2 0 340.427 1.511 20 0 EDADRP Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)nc1 ZINC000289299513 444100376 /nfs/dbraw/zinc/10/03/76/444100376.db2.gz CKPWFWAOEOIICH-RDJZCZTQSA-N 2 0 346.475 1.496 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(CO)CCOc3ccccc32)CC1 ZINC000282159542 444100800 /nfs/dbraw/zinc/10/08/00/444100800.db2.gz UEKUHHABTUACSQ-HXUWFJFHSA-N 2 0 347.503 1.662 20 0 EDADRP C[N@@H+]1CCC[C@@H](CN[C@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185116 321320514 /nfs/dbraw/zinc/32/05/14/321320514.db2.gz QRUHQKXGRAOXPX-HOCLYGCPSA-N 2 0 326.448 1.971 20 0 EDADRP 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0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000580539107 322063489 /nfs/dbraw/zinc/06/34/89/322063489.db2.gz JHLJTUUBFVUNMY-UHFFFAOYSA-N 2 0 334.464 1.426 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000580656078 322079200 /nfs/dbraw/zinc/07/92/00/322079200.db2.gz IRSLAGWTDPOKST-QMCVQRASSA-N 2 0 333.863 1.853 20 0 EDADRP C[NH+](CCC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CCCCC1 ZINC000580684808 322081198 /nfs/dbraw/zinc/08/11/98/322081198.db2.gz UAANTFJEYJOFDV-UHFFFAOYSA-N 2 0 339.524 1.946 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCN(C)CC1 ZINC000581120592 322138013 /nfs/dbraw/zinc/13/80/13/322138013.db2.gz VDKAVRMUVJFKBL-BBWFWOEESA-N 2 0 339.528 1.075 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@@H](C)O1 ZINC000581424802 322175838 /nfs/dbraw/zinc/17/58/38/322175838.db2.gz IZZYAJQEPXJOSU-GUDVDZBRSA-N 2 0 341.540 1.702 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000581734664 322215794 /nfs/dbraw/zinc/21/57/94/322215794.db2.gz SQDNFCOBIVJDJU-QGZVFWFLSA-N 2 0 348.535 1.536 20 0 EDADRP CN1CCN(C(=O)NC[C@@H]2CCCO[C@@H]2C(C)(C)C)[C@@H](C[NH3+])C1 ZINC000581873822 322226279 /nfs/dbraw/zinc/22/62/79/322226279.db2.gz KJAVZWCNPAIRSE-KKUMJFAQSA-N 2 0 326.485 1.112 20 0 EDADRP COc1ccccc1CNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342147715 444534133 /nfs/dbraw/zinc/53/41/33/444534133.db2.gz ZDLBQQPJIWXBDS-HJWJTTGWSA-N 2 0 331.460 1.759 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)CN2CCOCC2)CC1 ZINC000340878972 444555977 /nfs/dbraw/zinc/55/59/77/444555977.db2.gz SYQNXTZTJPYEPJ-KRWDZBQOSA-N 2 0 327.513 1.530 20 0 EDADRP CN1CCN(c2ncc(CNC3CC[NH+](C4CCC4)CC3)cn2)CC1 ZINC000343765364 444574298 /nfs/dbraw/zinc/57/42/98/444574298.db2.gz NDWGGGCAJCEUFN-UHFFFAOYSA-N 3 0 344.507 1.335 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCCC1)C[NH+]1CCN(C)CC1 ZINC000340848661 444541549 /nfs/dbraw/zinc/54/15/49/444541549.db2.gz IVSRAMQKPOVHDX-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H]1C[NH+](C)CCN1Cc1cccc(CN2CC[N@@H+](C)C[C@H]2C)c1 ZINC000343727090 444548753 /nfs/dbraw/zinc/54/87/53/444548753.db2.gz XKXAJWTYFLSYIQ-QZTJIDSGSA-N 2 0 330.520 1.958 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000333303231 444655723 /nfs/dbraw/zinc/65/57/23/444655723.db2.gz QJTLDRLDXMOQMW-HRCADAONSA-N 2 0 327.538 1.690 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341027691 444639990 /nfs/dbraw/zinc/63/99/90/444639990.db2.gz YVKRZVKZAGHJPC-SJORKVTESA-N 2 0 342.528 1.715 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000342349521 444647581 /nfs/dbraw/zinc/64/75/81/444647581.db2.gz RNYKBGAVUZWDLZ-KYJSFNMBSA-N 2 0 334.508 1.842 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000341194995 444722232 /nfs/dbraw/zinc/72/22/32/444722232.db2.gz SAXCWDZZYJFCRI-KRWDZBQOSA-N 2 0 331.460 1.900 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341120686 444683909 /nfs/dbraw/zinc/68/39/09/444683909.db2.gz KQPQENXAPBJWMU-GJZGRUSLSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344063324 444759797 /nfs/dbraw/zinc/75/97/97/444759797.db2.gz NKAWEBNFQKEGSY-KZNAEPCWSA-N 2 0 340.556 1.885 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)cc2C1 ZINC000329947366 444781433 /nfs/dbraw/zinc/78/14/33/444781433.db2.gz GXYFPMBQJUVYPT-KRWDZBQOSA-N 2 0 336.439 1.838 20 0 EDADRP CN1CCN(C(=O)NCCCn2ccnc2)C[C@H]1Cc1ccccc1 ZINC000341379866 444803269 /nfs/dbraw/zinc/80/32/69/444803269.db2.gz PWUSELQGYWZYGB-GOSISDBHSA-N 2 0 341.459 1.842 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](N(C)Cc2ncccn2)C1 ZINC000330084170 444838763 /nfs/dbraw/zinc/83/87/63/444838763.db2.gz KYMNYODHLXLISU-CVEARBPZSA-N 2 0 331.464 1.384 20 0 EDADRP CC[C@@H](C(=O)OC)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000338839612 444882806 /nfs/dbraw/zinc/88/28/06/444882806.db2.gz HMYPYLSEBRVDNI-LSDHHAIUSA-N 2 0 327.469 1.060 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@H+]1C ZINC000330233951 444899303 /nfs/dbraw/zinc/89/93/03/444899303.db2.gz YCUVKXIYKGWITF-KGLIPLIRSA-N 2 0 334.468 1.706 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000341646396 444932551 /nfs/dbraw/zinc/93/25/51/444932551.db2.gz UEUSFYFSBGZWQW-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000342906340 444933744 /nfs/dbraw/zinc/93/37/44/444933744.db2.gz ZWQUVTSPKCPUGZ-KBXCAEBGSA-N 2 0 330.476 1.746 20 0 EDADRP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000341784067 445000668 /nfs/dbraw/zinc/00/06/68/445000668.db2.gz ZXQNDXSNGUMPQI-SFHVURJKSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000343090102 445053994 /nfs/dbraw/zinc/05/39/94/445053994.db2.gz GZGFMWJLWLYJBP-NJAFHUGGSA-N 2 0 330.476 1.560 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000344557990 445058764 /nfs/dbraw/zinc/05/87/64/445058764.db2.gz WCGGLFOMZAMFDJ-SFHVURJKSA-N 2 0 334.460 1.791 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000341899680 445061118 /nfs/dbraw/zinc/06/11/18/445061118.db2.gz JDVJFQLYZXFBHW-TVFCKZIOSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H](CNC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1CC1 ZINC000341986426 445108293 /nfs/dbraw/zinc/10/82/93/445108293.db2.gz UUMALLXBKZKUJK-DZGCQCFKSA-N 2 0 340.512 1.068 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[NH+]2CCC2)[NH+]2CCCC2)c1 ZINC000337631809 445178451 /nfs/dbraw/zinc/17/84/51/445178451.db2.gz YQXOJBTUOXHRRZ-SFHVURJKSA-N 2 0 346.475 1.837 20 0 EDADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342115388 445180195 /nfs/dbraw/zinc/18/01/95/445180195.db2.gz XPGJVJRFPBNDOW-AETAKHFUSA-N 2 0 333.451 1.932 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343220416 445146253 /nfs/dbraw/zinc/14/62/53/445146253.db2.gz SDRNCIDOKMXYMK-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccnn1C ZINC000343407792 445217032 /nfs/dbraw/zinc/21/70/32/445217032.db2.gz SKILQRDOHWKTFL-SJLPKXTDSA-N 2 0 338.415 1.929 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)[C@@H]([NH3+])CC(F)F)c1ccccc1F ZINC000345699680 445196488 /nfs/dbraw/zinc/19/64/88/445196488.db2.gz UMSXZZDNFJWWRS-AAEUAGOBSA-N 2 0 326.322 1.747 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H]([NH3+])CC(F)F ZINC000345708534 445197007 /nfs/dbraw/zinc/19/70/07/445197007.db2.gz JHKIJTVFVITYIU-YUELXQCFSA-N 2 0 325.403 1.996 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429553 445221427 /nfs/dbraw/zinc/22/14/27/445221427.db2.gz CDSAUPHTIBXJTO-HOTGVXAUSA-N 2 0 329.400 1.236 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[N@@H+]1CCO[C@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000343533609 445239831 /nfs/dbraw/zinc/23/98/31/445239831.db2.gz CRMYYPSQTDDMOT-AFQPOQBFSA-N 2 0 348.491 1.681 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@H]([NH3+])CCC(=O)OC)cc1 ZINC000343518403 445237549 /nfs/dbraw/zinc/23/75/49/445237549.db2.gz LHMBAGHUPXAKFS-HZPDHXFCSA-N 2 0 333.432 1.002 20 0 EDADRP CC(C)[C@H](CO)[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000351643071 445255014 /nfs/dbraw/zinc/25/50/14/445255014.db2.gz ZUSDCKFCDIEJCU-SFHVURJKSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CCC[N@@H+]1C ZINC000343599087 445257428 /nfs/dbraw/zinc/25/74/28/445257428.db2.gz JIHGEVSZEOZWMW-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000348535465 445317331 /nfs/dbraw/zinc/31/73/31/445317331.db2.gz UVTZJQGOJJXVPO-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859147 445345172 /nfs/dbraw/zinc/34/51/72/445345172.db2.gz FQABABYACXFNJJ-HOTGVXAUSA-N 2 0 348.466 1.534 20 0 EDADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357082731 445414753 /nfs/dbraw/zinc/41/47/53/445414753.db2.gz PCHJUUPCUKGRFQ-SFHVURJKSA-N 2 0 345.487 1.975 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523478 445424007 /nfs/dbraw/zinc/42/40/07/445424007.db2.gz FCHRIAOUWHACAN-QFBILLFUSA-N 2 0 344.503 1.248 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)CCOC3C[NH2+]C3)c2)CC1 ZINC000349001666 445472222 /nfs/dbraw/zinc/47/22/22/445472222.db2.gz OKGPFKSUROOQRX-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000349032576 445482022 /nfs/dbraw/zinc/48/20/22/445482022.db2.gz XNXRNOFPCNXEIP-INIZCTEOSA-N 2 0 331.460 1.488 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362548517 445433458 /nfs/dbraw/zinc/43/34/58/445433458.db2.gz UTQWKUWYUQRLQU-CVEARBPZSA-N 2 0 330.476 1.965 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H](C)O1 ZINC000362557911 445438397 /nfs/dbraw/zinc/43/83/97/445438397.db2.gz DWCMYJITMXKHLK-QLFBSQMISA-N 2 0 349.479 1.106 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564107 445441685 /nfs/dbraw/zinc/44/16/85/445441685.db2.gz HLRMXIFTJVTORX-ZDUSSCGKSA-N 2 0 349.479 1.106 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000362725964 445520406 /nfs/dbraw/zinc/52/04/06/445520406.db2.gz RTZHUGOYVAKHDQ-LPHOPBHVSA-N 2 0 344.503 1.745 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000349060664 445491568 /nfs/dbraw/zinc/49/15/68/445491568.db2.gz VLLJJCFNULTYLM-RDJZCZTQSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000352112374 445501112 /nfs/dbraw/zinc/50/11/12/445501112.db2.gz SOIJKKJRQCIBRU-LJQANCHMSA-N 2 0 347.459 1.927 20 0 EDADRP CC[C@@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)[N@H+](C)Cc1ccccc1 ZINC000355974207 445552099 /nfs/dbraw/zinc/55/20/99/445552099.db2.gz SWXQIWHKIZEPDM-HKUYNNGSSA-N 2 0 347.503 1.812 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC000362831170 445571581 /nfs/dbraw/zinc/57/15/81/445571581.db2.gz OUODNFOFIGHXGR-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000362856161 445583331 /nfs/dbraw/zinc/58/33/31/445583331.db2.gz PZZVGHXTYQPFES-NVXWUHKLSA-N 2 0 325.497 1.534 20 0 EDADRP C[N@H+](CCNc1ccnc(N2CCOCC2)n1)Cc1ccc(F)cc1 ZINC000353293866 445586344 /nfs/dbraw/zinc/58/63/44/445586344.db2.gz OXKCMFKAJJJKEB-UHFFFAOYSA-N 2 0 345.422 1.996 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000349251177 445547365 /nfs/dbraw/zinc/54/73/65/445547365.db2.gz IKGKRUXMKFAFFM-IYBDPMFKSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000353459222 445610635 /nfs/dbraw/zinc/61/06/35/445610635.db2.gz LLHPOAKNLFCDTJ-DLBZAZTESA-N 2 0 333.480 1.194 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356088439 445613435 /nfs/dbraw/zinc/61/34/35/445613435.db2.gz FRVYWNYVCTURMC-GOSISDBHSA-N 2 0 341.459 1.388 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC000349612259 445622527 /nfs/dbraw/zinc/62/25/27/445622527.db2.gz AAYCEXNVMLOGDE-HZPDHXFCSA-N 2 0 348.491 1.345 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)CC1 ZINC000360213634 445633198 /nfs/dbraw/zinc/63/31/98/445633198.db2.gz QFQAMEVDICIWRM-QGZVFWFLSA-N 2 0 336.455 1.182 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878421 445593144 /nfs/dbraw/zinc/59/31/44/445593144.db2.gz VWTFWVHTTHVRKU-RDTXWAMCSA-N 2 0 331.460 1.780 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000353424838 445595757 /nfs/dbraw/zinc/59/57/57/445595757.db2.gz GGXFSWZBSLRDRY-VQHPVUNQSA-N 2 0 325.497 1.626 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000363001417 445645466 /nfs/dbraw/zinc/64/54/66/445645466.db2.gz NFKSLUIWWOHEEW-FUHWJXTLSA-N 2 0 339.524 1.781 20 0 EDADRP CN(CC[NH+](C)C)C(=O)c1ccc(C(=O)N(C)CC[NH+](C)C)s1 ZINC000358542836 445643308 /nfs/dbraw/zinc/64/33/08/445643308.db2.gz QQSRUVVSAROYEV-UHFFFAOYSA-N 2 0 340.493 1.015 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363091339 445673447 /nfs/dbraw/zinc/67/34/47/445673447.db2.gz CARUGISSQPQOSZ-HOTGVXAUSA-N 2 0 347.459 1.220 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360283293 445675461 /nfs/dbraw/zinc/67/54/61/445675461.db2.gz GRZWUTAOIWFYIS-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1)N(C)C ZINC000349780676 445675943 /nfs/dbraw/zinc/67/59/43/445675943.db2.gz XIHGJVFOAYFQIZ-WBVHZDCISA-N 2 0 346.475 1.788 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356217856 445680834 /nfs/dbraw/zinc/68/08/34/445680834.db2.gz DMILTYLKGKGVEK-IAGOWNOFSA-N 2 0 347.507 1.973 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360328391 445696428 /nfs/dbraw/zinc/69/64/28/445696428.db2.gz FVXYOSWJSYGVPO-RDJZCZTQSA-N 2 0 339.505 1.426 20 0 EDADRP CN(C)c1ncc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000349847911 445697362 /nfs/dbraw/zinc/69/73/62/445697362.db2.gz HIRBEVOLKCKOKV-UHFFFAOYSA-N 2 0 325.526 1.715 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000353683661 445705200 /nfs/dbraw/zinc/70/52/00/445705200.db2.gz ZMOVIIBFCKZLSF-OALUTQOASA-N 2 0 343.475 1.803 20 0 EDADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349903796 445717055 /nfs/dbraw/zinc/71/70/55/445717055.db2.gz BJYOJNMSMMXHMK-SQNIBIBYSA-N 2 0 327.513 1.120 20 0 EDADRP COCC[N@@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)CC(C)C ZINC000363078762 445669602 /nfs/dbraw/zinc/66/96/02/445669602.db2.gz CVDSOXJLRSIPPK-QGZVFWFLSA-N 2 0 343.512 1.064 20 0 EDADRP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)[NH+](C)C ZINC000363224182 445730254 /nfs/dbraw/zinc/73/02/54/445730254.db2.gz RNVRAGBOGCGQHA-CGTJXYLNSA-N 2 0 332.492 1.994 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358708696 445732724 /nfs/dbraw/zinc/73/27/24/445732724.db2.gz QRCZMHGBDNFCIX-NVXWUHKLSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1cccn2c(C[NH2+][C@H]3CCCc4c3cnn4CCO)cnc12 ZINC000363264923 445746039 /nfs/dbraw/zinc/74/60/39/445746039.db2.gz USHOPYFDERZPAO-INIZCTEOSA-N 2 0 325.416 1.999 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCNS(C)(=O)=O)CC1)CC(C)C ZINC000358736082 445751082 /nfs/dbraw/zinc/75/10/82/445751082.db2.gz JSYWTOOWGQVHEM-UHFFFAOYSA-N 2 0 333.542 1.616 20 0 EDADRP CC[C@@H](C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[NH+](CC)CC ZINC000353779815 445752903 /nfs/dbraw/zinc/75/29/03/445752903.db2.gz KKGPRXYTYBGBTP-ROUUACIJSA-N 2 0 338.540 1.735 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000363304848 445758919 /nfs/dbraw/zinc/75/89/19/445758919.db2.gz LGNRRGYASYHESF-CRAIPNDOSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C[N@@H+]1C1CC1 ZINC000358880025 445828822 /nfs/dbraw/zinc/82/88/22/445828822.db2.gz BKLQRHWASVKPFW-CVEARBPZSA-N 2 0 339.528 1.137 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358846562 445807403 /nfs/dbraw/zinc/80/74/03/445807403.db2.gz KTOGAEATZCUESB-RDJZCZTQSA-N 2 0 325.497 1.412 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000354000373 445846147 /nfs/dbraw/zinc/84/61/47/445846147.db2.gz BHTNXASHQVODRX-MSOLQXFVSA-N 2 0 335.492 1.574 20 0 EDADRP COCC[C@@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000361719046 445896561 /nfs/dbraw/zinc/89/65/61/445896561.db2.gz RMUOQPCKJREKLS-IBGZPJMESA-N 2 0 333.476 1.641 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000359028386 445897177 /nfs/dbraw/zinc/89/71/77/445897177.db2.gz AXOGKDMEPFGPPS-CVEARBPZSA-N 2 0 328.501 1.515 20 0 EDADRP [NH3+]CC1(CC(=O)N2CCC[N@@H+](C3CCOCC3)CC2)CCCCC1 ZINC000364220505 445901891 /nfs/dbraw/zinc/90/18/91/445901891.db2.gz MLPWJMNNYXJYDR-UHFFFAOYSA-N 2 0 337.508 1.999 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000365917279 445905522 /nfs/dbraw/zinc/90/55/22/445905522.db2.gz DZMBBLVSAHFCKE-RHSMWYFYSA-N 2 0 327.472 1.827 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000365918971 445906895 /nfs/dbraw/zinc/90/68/95/445906895.db2.gz HVRXSSXACSOYQP-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]CC1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000372907309 445913979 /nfs/dbraw/zinc/91/39/79/445913979.db2.gz RBNFLYYEDJLCPZ-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP CC(C)(C)OC(=O)N1CC[NH+](C2CCC([NH2+]C3COC3)CC2)CC1 ZINC000366004430 445955939 /nfs/dbraw/zinc/95/59/39/445955939.db2.gz LFRVOKPGACTWSZ-UHFFFAOYSA-N 2 0 339.480 1.839 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC(n3ccnc3)CC2)CCCO1 ZINC000372987043 445960776 /nfs/dbraw/zinc/96/07/76/445960776.db2.gz XKXJDWVYNCTXIK-MRXNPFEDSA-N 2 0 349.479 1.731 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CN(C2CC2)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366082224 446001107 /nfs/dbraw/zinc/00/11/07/446001107.db2.gz CJQWXIPZUNODSY-BFYDXBDKSA-N 2 0 338.496 1.269 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C ZINC000354218852 446012343 /nfs/dbraw/zinc/01/23/43/446012343.db2.gz BMRRXAPXKXHSCI-RHSMWYFYSA-N 2 0 346.475 1.919 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000583261586 326036998 /nfs/dbraw/zinc/03/69/98/326036998.db2.gz VIPVEVQTTLTLOA-MRXNPFEDSA-N 2 0 348.495 1.416 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000583261585 326037121 /nfs/dbraw/zinc/03/71/21/326037121.db2.gz VIPVEVQTTLTLOA-INIZCTEOSA-N 2 0 348.495 1.416 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000583810268 326144017 /nfs/dbraw/zinc/14/40/17/326144017.db2.gz FEKBDJWYKOZIMG-RBUKOAKNSA-N 2 0 344.503 1.185 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359266889 446104019 /nfs/dbraw/zinc/10/40/19/446104019.db2.gz UXOOJHDZNRLEAF-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP Cn1c2ccc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cc2oc1=O ZINC000351511823 446115035 /nfs/dbraw/zinc/11/50/35/446115035.db2.gz XFEZIPULPLDNKQ-UHFFFAOYSA-N 2 0 333.432 1.674 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1CCCC[C@@H]1CC ZINC000359282898 446118076 /nfs/dbraw/zinc/11/80/76/446118076.db2.gz XSNPBYHPXZEZTN-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP C[N@H+](C[C@@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365275234 446120456 /nfs/dbraw/zinc/12/04/56/446120456.db2.gz NWLRPSGFVPJMQK-SJORKVTESA-N 2 0 335.492 1.573 20 0 EDADRP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000366343642 446165158 /nfs/dbraw/zinc/16/51/58/446165158.db2.gz BPQDWDQJANLLTK-ATIWLJMLSA-N 2 0 335.492 1.524 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365356638 446165414 /nfs/dbraw/zinc/16/54/14/446165414.db2.gz LRPKNWYUEPTCIC-YTQUADARSA-N 2 0 346.519 1.987 20 0 EDADRP CCC[NH+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000373350250 446175833 /nfs/dbraw/zinc/17/58/33/446175833.db2.gz LVERATRKFYIQIX-UHFFFAOYSA-N 2 0 334.468 1.709 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366326166 446152632 /nfs/dbraw/zinc/15/26/32/446152632.db2.gz DRSBGDQYZLWSKM-WMLDXEAASA-N 2 0 339.867 1.685 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000366325416 446152792 /nfs/dbraw/zinc/15/27/92/446152792.db2.gz PYYRLNIUAUKHAN-QGZVFWFLSA-N 2 0 336.524 1.299 20 0 EDADRP CC[NH+]1CCC(Nc2nc(C)nc(NC3CC[NH+](CC)CC3)n2)CC1 ZINC000359336710 446157765 /nfs/dbraw/zinc/15/77/65/446157765.db2.gz WHEJEVVWNRYSFT-UHFFFAOYSA-N 2 0 347.511 1.972 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C3CC3)CC2)C1 ZINC000366426843 446209393 /nfs/dbraw/zinc/20/93/93/446209393.db2.gz HIDAZOHYQMNXPN-GOSISDBHSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1CCN(Cc2nnnn2CC2CCOCC2)C[C@H]1n1ccnc1 ZINC000365454583 446213536 /nfs/dbraw/zinc/21/35/36/446213536.db2.gz BEZPINGNUQVKCL-GOEBONIOSA-N 2 0 345.451 1.379 20 0 EDADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](COC)Cc1ccccc1 ZINC000351621195 446214808 /nfs/dbraw/zinc/21/48/08/446214808.db2.gz VMQAGXIMLBOOJL-SFHVURJKSA-N 2 0 333.476 1.388 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365626593 446279759 /nfs/dbraw/zinc/27/97/59/446279759.db2.gz XSJNRJLKDJXJHV-IRXDYDNUSA-N 2 0 346.475 1.513 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCOCC2)CC1 ZINC000370494979 446304621 /nfs/dbraw/zinc/30/46/21/446304621.db2.gz NPKWGYHFFFYSGK-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417337862 446346869 /nfs/dbraw/zinc/34/68/69/446346869.db2.gz JLOGRGIDEFYEEW-HFTRVMKXSA-N 2 0 330.476 1.860 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)N2CCOCC2)cc1 ZINC000359597566 446311313 /nfs/dbraw/zinc/31/13/13/446311313.db2.gz ZSMHRGDXDSJALQ-DBVUQKKJSA-N 2 0 347.503 1.998 20 0 EDADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362319348 446317863 /nfs/dbraw/zinc/31/78/63/446317863.db2.gz PIMUJZIXIUREJJ-GVDBMIGSSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000370577469 446338940 /nfs/dbraw/zinc/33/89/40/446338940.db2.gz HCYPFTKCVSZDPF-PMPSAXMXSA-N 2 0 335.448 1.488 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000365783304 446341839 /nfs/dbraw/zinc/34/18/39/446341839.db2.gz YTNRBBYVJRAMEH-LSDHHAIUSA-N 2 0 326.485 1.079 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417490039 446355284 /nfs/dbraw/zinc/35/52/84/446355284.db2.gz GKNCKUWFSJCYMT-SZMVWBNQSA-N 2 0 348.491 1.827 20 0 EDADRP C[NH+]1CCC(CCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000417504733 446357631 /nfs/dbraw/zinc/35/76/31/446357631.db2.gz NLQQAWXTEQFFBW-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000417516594 446360778 /nfs/dbraw/zinc/36/07/78/446360778.db2.gz OBUFLGHXYJEEJI-ZWKOTPCHSA-N 2 0 348.491 1.747 20 0 EDADRP COC[C@@]1(CNC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)CCC[NH2+]1 ZINC000417528716 446361876 /nfs/dbraw/zinc/36/18/76/446361876.db2.gz FNHKOYBARDSHCT-UXLLHSPISA-N 2 0 326.485 1.317 20 0 EDADRP C[C@H](CNC(=O)NCCCN1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000417563105 446365632 /nfs/dbraw/zinc/36/56/32/446365632.db2.gz CWCWPWWTZOPLJO-QGZVFWFLSA-N 2 0 347.507 1.101 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000417670276 446369734 /nfs/dbraw/zinc/36/97/34/446369734.db2.gz NRXFXVXBKTUYKW-LUKYLMHMSA-N 2 0 340.512 1.563 20 0 EDADRP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370669605 446380445 /nfs/dbraw/zinc/38/04/45/446380445.db2.gz NTRDDFRKZWUUPT-RCCFBDPRSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000418061890 446428395 /nfs/dbraw/zinc/42/83/95/446428395.db2.gz YDZMYIVLUNGLBC-KRWDZBQOSA-N 2 0 334.464 1.050 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000370774501 446431509 /nfs/dbraw/zinc/43/15/09/446431509.db2.gz RRVRKDBCYWBARK-VVLHAWIVSA-N 2 0 333.501 1.828 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000418132198 446442064 /nfs/dbraw/zinc/44/20/64/446442064.db2.gz DRHKMRUYFAZKBA-ROUUACIJSA-N 2 0 330.476 1.948 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000420282677 446449737 /nfs/dbraw/zinc/44/97/37/446449737.db2.gz AZZSHUXDLSGVRT-HEHGZKQESA-N 2 0 333.432 1.147 20 0 EDADRP CC1CC[NH+](CC2CCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)CC1 ZINC000376259205 446402801 /nfs/dbraw/zinc/40/28/01/446402801.db2.gz XUNUEBYBXSNRCC-UHFFFAOYSA-N 2 0 345.491 1.640 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000417972694 446403901 /nfs/dbraw/zinc/40/39/01/446403901.db2.gz BUPLKIZNGNUGQJ-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417986532 446408191 /nfs/dbraw/zinc/40/81/91/446408191.db2.gz QNYMOIUYSXIQQK-KBAYOESNSA-N 2 0 348.491 1.655 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H]1C ZINC000418004679 446412510 /nfs/dbraw/zinc/41/25/10/446412510.db2.gz ZVJATXFGTODJHH-RLFYNMQTSA-N 2 0 346.475 1.145 20 0 EDADRP Clc1ccccc1C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCCO1 ZINC000423199977 446451780 /nfs/dbraw/zinc/45/17/80/446451780.db2.gz DBNKLDBOCYLJAX-ZWKOTPCHSA-N 2 0 337.895 1.925 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000418057712 446426304 /nfs/dbraw/zinc/42/63/04/446426304.db2.gz NFKWFERXRIDRCC-MSOLQXFVSA-N 2 0 330.476 1.542 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420291329 446454541 /nfs/dbraw/zinc/45/45/41/446454541.db2.gz KBOJWMFZNGPIOM-LBPRGKRZSA-N 2 0 343.830 1.645 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000420315348 446480779 /nfs/dbraw/zinc/48/07/79/446480779.db2.gz LXDGQIMFMMPGRM-QZTJIDSGSA-N 2 0 332.492 1.609 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CC[NH+](C)CC1 ZINC000418196828 446455804 /nfs/dbraw/zinc/45/58/04/446455804.db2.gz IIYVRZLIGGXOOK-UONOGXRCSA-N 2 0 326.510 1.207 20 0 EDADRP CN1CCO[C@@H](C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452735399 446456004 /nfs/dbraw/zinc/45/60/04/446456004.db2.gz XFLQJIGFTUAWAA-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000423228942 446459188 /nfs/dbraw/zinc/45/91/88/446459188.db2.gz GAJDFPPSWKJMOQ-AWEZNQCLSA-N 2 0 326.448 1.826 20 0 EDADRP Cc1ncsc1CN(CCN1CCO[C@H](C)C1)C[C@@H]1CC[NH2+]C1 ZINC000420302171 446463437 /nfs/dbraw/zinc/46/34/37/446463437.db2.gz BHFJRUYGEHOTBF-GDBMZVCRSA-N 2 0 338.521 1.584 20 0 EDADRP CC(C)[NH+]1CCN(CCCN(CC[NH3+])CCc2ccccc2)CC1 ZINC000420308287 446470261 /nfs/dbraw/zinc/47/02/61/446470261.db2.gz CWODCJIHZBXEMO-UHFFFAOYSA-N 2 0 332.536 1.906 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@H](C)C1 ZINC000370842248 446475492 /nfs/dbraw/zinc/47/54/92/446475492.db2.gz FUTDJLKHGGGPAV-TWMKSMIVSA-N 2 0 338.496 1.221 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423299475 446477332 /nfs/dbraw/zinc/47/73/32/446477332.db2.gz BUOJYYPPLFZEFW-CQSZACIVSA-N 2 0 333.480 1.727 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418331541 446502586 /nfs/dbraw/zinc/50/25/86/446502586.db2.gz DTXMYUBKBPMREZ-KRWDZBQOSA-N 2 0 330.476 1.904 20 0 EDADRP CC[NH2+]CCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418331585 446502860 /nfs/dbraw/zinc/50/28/60/446502860.db2.gz XRNDKMSBBWFJEG-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420336881 446506307 /nfs/dbraw/zinc/50/63/07/446506307.db2.gz QJBJUQBPBYSOOR-QRQLOZEOSA-N 3 0 333.476 1.566 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NCCOc1ccc(F)cc1 ZINC000420336196 446506487 /nfs/dbraw/zinc/50/64/87/446506487.db2.gz LQNFGZRPAGPBNE-SFHVURJKSA-N 2 0 349.450 1.785 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423373011 446506631 /nfs/dbraw/zinc/50/66/31/446506631.db2.gz GSKPAYHCSOYMBC-DOTOQJQBSA-N 2 0 331.464 1.554 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420337904 446507833 /nfs/dbraw/zinc/50/78/33/446507833.db2.gz XIYWVPBCVVELSX-LSDHHAIUSA-N 2 0 347.459 1.922 20 0 EDADRP CN(C(=O)NCCC[NH3+])[C@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418349620 446508988 /nfs/dbraw/zinc/50/89/88/446508988.db2.gz KRXOZSNEHOMIBE-IRXDYDNUSA-N 2 0 339.528 1.314 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)NC1CCCCC1 ZINC000420330228 446498927 /nfs/dbraw/zinc/49/89/27/446498927.db2.gz ALCOYJFMLLRMHZ-HUUCEWRRSA-N 2 0 336.480 1.466 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000376533266 446559114 /nfs/dbraw/zinc/55/91/14/446559114.db2.gz QCHKNOJWEVQKCA-SFHVURJKSA-N 2 0 336.524 1.347 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420394483 446568354 /nfs/dbraw/zinc/56/83/54/446568354.db2.gz RSHRJEVNUSHBOS-XJNFMUPTSA-N 2 0 325.497 1.898 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418375703 446520082 /nfs/dbraw/zinc/52/00/82/446520082.db2.gz HULLSRPOJDNNRF-IRXDYDNUSA-N 2 0 340.512 1.286 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423412116 446522860 /nfs/dbraw/zinc/52/28/60/446522860.db2.gz WDSZUYJJMFAYDJ-OAHLLOKOSA-N 2 0 333.480 1.729 20 0 EDADRP c1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)n2)cc1 ZINC000420348856 446526067 /nfs/dbraw/zinc/52/60/67/446526067.db2.gz NAACGXFEBCCUFS-QGZVFWFLSA-N 2 0 341.459 1.649 20 0 EDADRP CC(C)(C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000423420213 446527125 /nfs/dbraw/zinc/52/71/25/446527125.db2.gz AFMIZUYFVOUIRP-FUHWJXTLSA-N 2 0 345.487 1.893 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423422913 446529410 /nfs/dbraw/zinc/52/94/10/446529410.db2.gz DFFXDKDUELQCCW-NVXWUHKLSA-N 2 0 327.513 1.955 20 0 EDADRP CC(C)(C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000423427222 446532330 /nfs/dbraw/zinc/53/23/30/446532330.db2.gz IIXMHCHPGDJXQV-AEFFLSMTSA-N 2 0 345.487 1.893 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418429298 446540824 /nfs/dbraw/zinc/54/08/24/446540824.db2.gz QHDZAMFBBRIGCG-ZACQAIPSSA-N 2 0 340.512 1.646 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](C[NH3+])C(C)C)cc2)CC1 ZINC000433163565 446541618 /nfs/dbraw/zinc/54/16/18/446541618.db2.gz YFNDXSVDEOUHGI-LJQANCHMSA-N 2 0 346.519 1.671 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418448629 446545148 /nfs/dbraw/zinc/54/51/48/446545148.db2.gz JHYNNSDGWIAESK-GOSISDBHSA-N 2 0 347.507 1.354 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[N@H+](CCOCC)[C@H](CC)C1 ZINC000418452147 446547355 /nfs/dbraw/zinc/54/73/55/446547355.db2.gz XBEAJPVMJKKFRG-JKSUJKDBSA-N 2 0 328.501 1.646 20 0 EDADRP COCCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CCOCC1 ZINC000453254492 446552281 /nfs/dbraw/zinc/55/22/81/446552281.db2.gz AFLCBUDJLAIKIQ-ZACQAIPSSA-N 2 0 326.481 1.661 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000418608214 446614212 /nfs/dbraw/zinc/61/42/12/446614212.db2.gz RKUWTTCGQQSHQU-GDAAHCPNSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC[NH2+]1 ZINC000418608215 446614948 /nfs/dbraw/zinc/61/49/48/446614948.db2.gz RKUWTTCGQQSHQU-KANFNMMFSA-N 2 0 342.487 1.900 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376631532 446616376 /nfs/dbraw/zinc/61/63/76/446616376.db2.gz GIVJEKLMERWAPU-XYPWUTKMSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648656 446570433 /nfs/dbraw/zinc/57/04/33/446570433.db2.gz KRBFBPODUDGKEH-QRQLOZEOSA-N 2 0 345.487 1.734 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC000433465746 446579209 /nfs/dbraw/zinc/57/92/09/446579209.db2.gz ISVQNONPTOKXSR-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418522547 446580233 /nfs/dbraw/zinc/58/02/33/446580233.db2.gz JKVXJEQWKRFRPJ-NXHRZFHOSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418529249 446581559 /nfs/dbraw/zinc/58/15/59/446581559.db2.gz SYMOGHXICUUSAF-DJIMGWMZSA-N 2 0 339.528 1.312 20 0 EDADRP CN(C(=O)NCC1=CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418535333 446583766 /nfs/dbraw/zinc/58/37/66/446583766.db2.gz DAAGUHVPFXQOJU-GOSISDBHSA-N 2 0 328.460 1.822 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418547569 446589276 /nfs/dbraw/zinc/58/92/76/446589276.db2.gz JFMHEURDPZKOGZ-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000418571720 446599895 /nfs/dbraw/zinc/59/98/95/446599895.db2.gz ZEMNIYVWYDYUSI-LMSBXDPUSA-N 2 0 346.475 1.710 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418575367 446600436 /nfs/dbraw/zinc/60/04/36/446600436.db2.gz WNSZXHACXRFIGW-HRCADAONSA-N 2 0 326.485 1.399 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000418590742 446604812 /nfs/dbraw/zinc/60/48/12/446604812.db2.gz BSBMBZLUXQVLDA-NVXWUHKLSA-N 2 0 348.491 1.909 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000418590744 446604968 /nfs/dbraw/zinc/60/49/68/446604968.db2.gz BSBMBZLUXQVLDA-RDJZCZTQSA-N 2 0 348.491 1.909 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418627289 446620510 /nfs/dbraw/zinc/62/05/10/446620510.db2.gz AQXLOKNRXVZITQ-AEFFLSMTSA-N 2 0 326.444 1.529 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418596276 446608258 /nfs/dbraw/zinc/60/82/58/446608258.db2.gz YJMGOCZJJCVYAR-APWZRJJASA-N 2 0 348.491 1.263 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418627295 446620070 /nfs/dbraw/zinc/62/00/70/446620070.db2.gz AQXLOKNRXVZITQ-WMZOPIPTSA-N 2 0 326.444 1.529 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000368142637 446666189 /nfs/dbraw/zinc/66/61/89/446666189.db2.gz MDMKRLHBHPWLNB-BURFUSLBSA-N 2 0 336.501 1.920 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418628296 446621507 /nfs/dbraw/zinc/62/15/07/446621507.db2.gz CKMATNOFAFQBCE-MAUKXSAKSA-N 2 0 330.476 1.857 20 0 EDADRP COC[C@@]1(CNC(=O)N(CCC[NH3+])CC2CCCC2)CCC[NH2+]1 ZINC000418632256 446622980 /nfs/dbraw/zinc/62/29/80/446622980.db2.gz HGZFZFLKWAULDF-KRWDZBQOSA-N 2 0 326.485 1.306 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000418633464 446625258 /nfs/dbraw/zinc/62/52/58/446625258.db2.gz IGTCKSAULRIUCR-WMZOPIPTSA-N 2 0 328.460 1.753 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000418633457 446625747 /nfs/dbraw/zinc/62/57/47/446625747.db2.gz IGTCKSAULRIUCR-AEFFLSMTSA-N 2 0 328.460 1.753 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418638002 446627841 /nfs/dbraw/zinc/62/78/41/446627841.db2.gz KKVBEMVNZUANIQ-CABCVRRESA-N 2 0 340.512 1.251 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CN1CCOCC1 ZINC000376652426 446629579 /nfs/dbraw/zinc/62/95/79/446629579.db2.gz QFIBSGOUQOPTFG-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CCC1CCC([N@H+](CCO)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000411633842 446629874 /nfs/dbraw/zinc/62/98/74/446629874.db2.gz OKHCATMDNVHEIK-UHFFFAOYSA-N 2 0 339.524 1.850 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000418766444 446685178 /nfs/dbraw/zinc/68/51/78/446685178.db2.gz KPIKKNDFAOAYDY-HNNXBMFYSA-N 2 0 326.485 1.053 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1CCOC ZINC000418775079 446692044 /nfs/dbraw/zinc/69/20/44/446692044.db2.gz VXQNGEDNGXNWEX-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000376764318 446706510 /nfs/dbraw/zinc/70/65/10/446706510.db2.gz LEIIUXSHVSBWIX-KRWDZBQOSA-N 2 0 333.480 1.535 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000376771333 446709525 /nfs/dbraw/zinc/70/95/25/446709525.db2.gz GOOUWXZCFALRTJ-IBGZPJMESA-N 2 0 333.476 1.474 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376777653 446713146 /nfs/dbraw/zinc/71/31/46/446713146.db2.gz LLYNRYFCHJVSEI-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)C[C@H](C[NH3+])OC)CC[N@@H+]2C2CC2)c1 ZINC000423828055 446718050 /nfs/dbraw/zinc/71/80/50/446718050.db2.gz NVXQVTMSGIYUTP-ZIFCJYIRSA-N 2 0 347.459 1.453 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833972 446723387 /nfs/dbraw/zinc/72/33/87/446723387.db2.gz TXWIBUVWWIHMOZ-OKZBNKHCSA-N 2 0 345.443 1.078 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)CCCc2cccnc2)CC1 ZINC000411814644 446679381 /nfs/dbraw/zinc/67/93/81/446679381.db2.gz DPLKFNWPQONVDV-MRXNPFEDSA-N 2 0 332.492 1.983 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC1(C[NH3+])CCCCC1 ZINC000423749708 446680610 /nfs/dbraw/zinc/68/06/10/446680610.db2.gz RYVMZOCMKVIJKU-INIZCTEOSA-N 2 0 325.497 1.855 20 0 EDADRP [NH3+]C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CCCC1 ZINC000423935636 446786886 /nfs/dbraw/zinc/78/68/86/446786886.db2.gz ALECVEFOLFUSLE-LJQANCHMSA-N 2 0 344.503 1.832 20 0 EDADRP Cn1cccc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424039072 446829113 /nfs/dbraw/zinc/82/91/13/446829113.db2.gz NEHLCTNMCVBCIA-UHFFFAOYSA-N 2 0 326.444 1.748 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCC[N@@H+]1C ZINC000412254838 446912522 /nfs/dbraw/zinc/91/25/22/446912522.db2.gz YRHKHUIUCDRNPO-VNQPRFMTSA-N 2 0 325.522 1.803 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000377102312 446921881 /nfs/dbraw/zinc/92/18/81/446921881.db2.gz JDMPEAKNRUZQFP-KRWDZBQOSA-N 2 0 337.439 1.613 20 0 EDADRP C[C@@]1(O)CCC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000375679059 446970362 /nfs/dbraw/zinc/97/03/62/446970362.db2.gz NNYIIQNFPOMXTN-GOSISDBHSA-N 2 0 335.448 1.161 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419214060 447014900 /nfs/dbraw/zinc/01/49/00/447014900.db2.gz MDWGCDJTRCQJQE-KRWDZBQOSA-N 2 0 346.475 1.093 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CC[NH2+]C1 ZINC000372121850 447016254 /nfs/dbraw/zinc/01/62/54/447016254.db2.gz QOQQPVUHGGFSKS-AEFFLSMTSA-N 2 0 325.497 1.629 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419232810 447021160 /nfs/dbraw/zinc/02/11/60/447021160.db2.gz VFQDYXUIVUOVQZ-OAHLLOKOSA-N 2 0 338.496 1.001 20 0 EDADRP CC[N@H+](CC(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1)C1CC1 ZINC000442845978 446986006 /nfs/dbraw/zinc/98/60/06/446986006.db2.gz VPDQTVDWYQJCEH-SFHVURJKSA-N 2 0 339.480 1.393 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443061175 447002629 /nfs/dbraw/zinc/00/26/29/447002629.db2.gz RBHDJFBBRIETJR-KGLIPLIRSA-N 2 0 332.448 1.434 20 0 EDADRP O=C1NCCN1CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377332112 447071526 /nfs/dbraw/zinc/07/15/26/447071526.db2.gz WXBYVIVFQLSJSM-ZWKOTPCHSA-N 2 0 328.460 1.466 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3cnc(N(C)C)n3C)CC2)C[C@H](C)O1 ZINC000425322642 447115752 /nfs/dbraw/zinc/11/57/52/447115752.db2.gz HUCAPGIAIITOLW-IYBDPMFKSA-N 2 0 349.523 1.807 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000419327332 447094508 /nfs/dbraw/zinc/09/45/08/447094508.db2.gz ZLYCVEOTYRZKSD-DVOMOZLQSA-N 2 0 344.459 1.064 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)n1 ZINC000444908640 447147918 /nfs/dbraw/zinc/14/79/18/447147918.db2.gz YNEQZUDKWOQDTF-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000419414085 447160112 /nfs/dbraw/zinc/16/01/12/447160112.db2.gz SPLQVUMNJJULQE-HUUCEWRRSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000375937107 447162061 /nfs/dbraw/zinc/16/20/61/447162061.db2.gz DMDSFAMSHPCJFS-IIDMSEBBSA-N 2 0 330.476 1.796 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000375973892 447185087 /nfs/dbraw/zinc/18/50/87/447185087.db2.gz IHGNTEJXIWOTIS-MJGOQNOKSA-N 2 0 331.460 1.633 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000372639339 447202552 /nfs/dbraw/zinc/20/25/52/447202552.db2.gz JQDHGVBIXCLSDA-KRWDZBQOSA-N 2 0 333.480 1.583 20 0 EDADRP CCC[N@@H+]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368930712 447208863 /nfs/dbraw/zinc/20/88/63/447208863.db2.gz GEVJRBMWCOGUEK-IBGZPJMESA-N 2 0 346.519 1.823 20 0 EDADRP Cc1nc2ccccc2n1CC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368953045 447220714 /nfs/dbraw/zinc/22/07/14/447220714.db2.gz ZNWPJUYKQFYLNN-AWEZNQCLSA-N 2 0 330.432 1.260 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CS1 ZINC000413712932 447227153 /nfs/dbraw/zinc/22/71/53/447227153.db2.gz JELNNCZIRHIFBI-LSDHHAIUSA-N 2 0 330.542 1.795 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1Cc1ccc(-n2ccnc2)nc1 ZINC000376046085 447231559 /nfs/dbraw/zinc/23/15/59/447231559.db2.gz YJFWBYKNTRQHLO-MRXNPFEDSA-N 2 0 341.459 1.952 20 0 EDADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447600508 447279510 /nfs/dbraw/zinc/27/95/10/447279510.db2.gz MMSIWDWSPYYALS-OAHLLOKOSA-N 2 0 328.478 1.325 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379660738 447452913 /nfs/dbraw/zinc/45/29/13/447452913.db2.gz CWMOKTPZFHYZGK-AEFFLSMTSA-N 2 0 345.487 1.924 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000494640432 447454289 /nfs/dbraw/zinc/45/42/89/447454289.db2.gz AWSIWYBCQWMIEO-OAHLLOKOSA-N 2 0 325.522 1.996 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000494840612 447461455 /nfs/dbraw/zinc/46/14/55/447461455.db2.gz RWOFWPUEBYMARY-QGZVFWFLSA-N 2 0 326.529 1.593 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N(C)CCC[NH+](C)CCN(C)C ZINC000494840611 447461479 /nfs/dbraw/zinc/46/14/79/447461479.db2.gz RWOFWPUEBYMARY-KRWDZBQOSA-N 2 0 326.529 1.593 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415470273 447462133 /nfs/dbraw/zinc/46/21/33/447462133.db2.gz YNFMZFJXNMQUJC-QGZVFWFLSA-N 2 0 346.475 1.711 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415472399 447464323 /nfs/dbraw/zinc/46/43/23/447464323.db2.gz WRNTVHKZRHNYGU-KRWDZBQOSA-N 2 0 344.459 1.213 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC1CC([NH+]2CCCCC2)C1 ZINC000458729148 447464844 /nfs/dbraw/zinc/46/48/44/447464844.db2.gz GRZJYTDWPKMDEK-CGZBRXJRSA-N 2 0 338.496 1.149 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000415499558 447482068 /nfs/dbraw/zinc/48/20/68/447482068.db2.gz RHNUGMPOLYGTIX-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000389931408 447488241 /nfs/dbraw/zinc/48/82/41/447488241.db2.gz LEAIMYLHOZEOBK-CRAIPNDOSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@H]1C[N@H+](C[C@H](O)Cc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450640782 447546209 /nfs/dbraw/zinc/54/62/09/447546209.db2.gz GYXFBBGFSXMNAN-DFQSSKMNSA-N 2 0 331.504 1.548 20 0 EDADRP CO[C@@H]1CCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000459045437 447552103 /nfs/dbraw/zinc/55/21/03/447552103.db2.gz KWJMUDCDHADHBG-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000427270847 447572244 /nfs/dbraw/zinc/57/22/44/447572244.db2.gz YRDSJKFXOKBHPC-SFHVURJKSA-N 2 0 344.503 1.623 20 0 EDADRP COC(=O)[C@@H]([N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C1(OC)CCC1 ZINC000459338259 447638781 /nfs/dbraw/zinc/63/87/81/447638781.db2.gz RPOQNIVNIGTETK-GDBMZVCRSA-N 2 0 342.480 1.122 20 0 EDADRP CC(C)CN1CCO[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459360107 447645708 /nfs/dbraw/zinc/64/57/08/447645708.db2.gz DZHILULFSWJRTB-LJQANCHMSA-N 2 0 332.492 1.997 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000459163408 447602047 /nfs/dbraw/zinc/60/20/47/447602047.db2.gz LABVKXVQYHFRPU-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000459243908 447620767 /nfs/dbraw/zinc/62/07/67/447620767.db2.gz AIPGPPSLANAPPI-QGZVFWFLSA-N 2 0 347.507 1.887 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416861894 447697557 /nfs/dbraw/zinc/69/75/57/447697557.db2.gz XKOKLLNLNNEKOZ-QGZVFWFLSA-N 2 0 334.464 1.741 20 0 EDADRP COC[C@]1(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000416875549 447700774 /nfs/dbraw/zinc/70/07/74/447700774.db2.gz RDWQPMDUXWDZLX-LJQANCHMSA-N 2 0 348.491 1.576 20 0 EDADRP Cc1cc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c2cc(F)ccc2[nH+]1 ZINC000420173937 447654368 /nfs/dbraw/zinc/65/43/68/447654368.db2.gz XXRRDNYQZOEQOG-CYBMUJFWSA-N 2 0 330.407 1.974 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422641949 447685450 /nfs/dbraw/zinc/68/54/50/447685450.db2.gz YTSDRMUFOAUTQU-ILXRZTDVSA-N 2 0 347.459 1.741 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(=O)N[C@@H](C)CC)CC[NH2+]CC1 ZINC000422699281 447719660 /nfs/dbraw/zinc/71/96/60/447719660.db2.gz CWCZUTIZWBQXTH-KBPBESRZSA-N 2 0 327.469 1.202 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cn(CCC[NH3+])nn1)c1ccccc1 ZINC000422699431 447719813 /nfs/dbraw/zinc/71/98/13/447719813.db2.gz AMVQRVAYHHLZAU-KRWDZBQOSA-N 2 0 344.463 1.440 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000416949645 447722604 /nfs/dbraw/zinc/72/26/04/447722604.db2.gz QOUBHPCWEBTBGS-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416950017 447723116 /nfs/dbraw/zinc/72/31/16/447723116.db2.gz HNPTXUSXHFXCFL-QGZVFWFLSA-N 2 0 338.496 1.342 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422733857 447733307 /nfs/dbraw/zinc/73/33/07/447733307.db2.gz RTRZLQZJGXCPHJ-QWHCGFSZSA-N 2 0 326.238 1.648 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(CCO)CCCC2)CC[NH2+]CC1 ZINC000422808784 447756013 /nfs/dbraw/zinc/75/60/13/447756013.db2.gz LMUJIOYZQDTMJU-HNNXBMFYSA-N 2 0 326.481 1.840 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000422807066 447756174 /nfs/dbraw/zinc/75/61/74/447756174.db2.gz LWXQAHFLFYBUOZ-MSOLQXFVSA-N 2 0 331.460 1.666 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)CC1 ZINC000422841756 447767036 /nfs/dbraw/zinc/76/70/36/447767036.db2.gz DKCGKJXNJGJPFJ-FUHWJXTLSA-N 2 0 338.540 1.877 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422935666 447776034 /nfs/dbraw/zinc/77/60/34/447776034.db2.gz HJGDNHJXSZVMTP-NEPJUHHUSA-N 2 0 331.254 1.906 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]CC(=O)N1CCN(c2cccc(Cl)c2)CC1 ZINC000422952539 447779499 /nfs/dbraw/zinc/77/94/99/447779499.db2.gz CVANQFQDWJROFI-CQSZACIVSA-N 2 0 338.883 1.706 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000422959806 447781330 /nfs/dbraw/zinc/78/13/30/447781330.db2.gz UOUCJBRAXNZMGM-IYOUNJFTSA-N 2 0 347.459 1.533 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)C[C@H]1C ZINC000430795740 447786155 /nfs/dbraw/zinc/78/61/55/447786155.db2.gz HUVKRABTWAIHAE-HIFRSBDPSA-N 2 0 334.468 1.147 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985539 447787687 /nfs/dbraw/zinc/78/76/87/447787687.db2.gz FFFLQKOMOLIPMT-CJNGLKHVSA-N 2 0 338.423 1.770 20 0 EDADRP CN(CC[NH2+][C@@H]1CCCC[C@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000422998350 447789479 /nfs/dbraw/zinc/78/94/79/447789479.db2.gz PYLVPQFGRVYCMJ-QWHCGFSZSA-N 2 0 331.507 1.476 20 0 EDADRP C[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000471646230 447806299 /nfs/dbraw/zinc/80/62/99/447806299.db2.gz KTMKCGTVUNAKNT-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ncnn2C(C)(C)C)CC[NH2+]CC1 ZINC000423108616 447806942 /nfs/dbraw/zinc/80/69/42/447806942.db2.gz GBUSCUNTCMOICX-CYBMUJFWSA-N 2 0 337.468 1.444 20 0 EDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000486752688 447825909 /nfs/dbraw/zinc/82/59/09/447825909.db2.gz MUKTWAVXCMNRDH-XYJFISCASA-N 2 0 336.480 1.180 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000575733944 447883673 /nfs/dbraw/zinc/88/36/73/447883673.db2.gz CBAMNSUQMZXWDB-UHFFFAOYSA-N 2 0 325.482 1.360 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000569794394 447890862 /nfs/dbraw/zinc/89/08/62/447890862.db2.gz ZFYCYHVDFOKXOH-UHFFFAOYSA-N 2 0 333.480 1.733 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1CC(C)C1 ZINC000575758941 447892991 /nfs/dbraw/zinc/89/29/91/447892991.db2.gz KLRFACRCNITARS-MRXNPFEDSA-N 2 0 345.491 1.132 20 0 EDADRP CC1CC[NH+](CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000496768545 447895859 /nfs/dbraw/zinc/89/58/59/447895859.db2.gz SKZGKDYKAKNCGB-UHFFFAOYSA-N 2 0 341.500 1.747 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000525437874 447999894 /nfs/dbraw/zinc/99/98/94/447999894.db2.gz DZLHIBBQCOCRBD-KRWDZBQOSA-N 3 0 341.544 1.386 20 0 EDADRP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O)C[NH+]1CCC2CC1 ZINC000496885720 448001524 /nfs/dbraw/zinc/00/15/24/448001524.db2.gz RRSMAAZDOVKKPD-VXIBKDFQSA-N 2 0 349.475 1.486 20 0 EDADRP C[C@H]1C[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000491447352 448030905 /nfs/dbraw/zinc/03/09/05/448030905.db2.gz OIPZEBMOGARSOJ-UONOGXRCSA-N 2 0 334.468 1.754 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531298319 448058119 /nfs/dbraw/zinc/05/81/19/448058119.db2.gz JOWGMQLHGXHSMK-POAQFYNOSA-N 2 0 345.487 1.565 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000571147011 448109949 /nfs/dbraw/zinc/10/99/49/448109949.db2.gz PHOQTQSCRJQFQA-ZFWWWQNUSA-N 2 0 334.468 1.789 20 0 EDADRP CC(C)C[C@@H](C[NH2+]C[C@]1(O)CCN(C)C1)NC(=O)OC(C)(C)C ZINC000496982022 448095315 /nfs/dbraw/zinc/09/53/15/448095315.db2.gz VXHHANKXGSWFQN-WMLDXEAASA-N 2 0 329.485 1.582 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576688027 448114157 /nfs/dbraw/zinc/11/41/57/448114157.db2.gz MRJBRQPCFJPABC-YJBOKZPZSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000571163569 448114829 /nfs/dbraw/zinc/11/48/29/448114829.db2.gz ZQSQYZSYENGHCS-HUUCEWRRSA-N 2 0 346.475 1.427 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000497011674 448121210 /nfs/dbraw/zinc/12/12/10/448121210.db2.gz ABZFPBKKBVETLZ-OAHLLOKOSA-N 2 0 341.415 1.850 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000571289707 448129364 /nfs/dbraw/zinc/12/93/64/448129364.db2.gz HVJKHYLUSZDTIK-UHFFFAOYSA-N 2 0 334.508 1.910 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000527114272 448162116 /nfs/dbraw/zinc/16/21/16/448162116.db2.gz NVGMZTQCXSCCPT-HXUWFJFHSA-N 2 0 345.487 1.566 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000571396883 448145515 /nfs/dbraw/zinc/14/55/15/448145515.db2.gz PUGNXLLLBGXOFZ-GOSISDBHSA-N 2 0 347.503 1.706 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1(C)C ZINC000571404901 448148606 /nfs/dbraw/zinc/14/86/06/448148606.db2.gz AONCAQVRTKQEGP-WBHUJUFNSA-N 2 0 332.448 1.369 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000531809342 448150274 /nfs/dbraw/zinc/15/02/74/448150274.db2.gz HSCFWAYXRNYBAF-OIISXLGYSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000511510168 448153705 /nfs/dbraw/zinc/15/37/05/448153705.db2.gz ZKDJOVSFUPETGM-GVDBMIGSSA-N 2 0 338.496 1.223 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCC[C@@H](c3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000576927835 448171710 /nfs/dbraw/zinc/17/17/10/448171710.db2.gz DDMLMMUHVYWAPD-KZNAEPCWSA-N 2 0 330.476 1.997 20 0 EDADRP CC[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1C ZINC000576980239 448185542 /nfs/dbraw/zinc/18/55/42/448185542.db2.gz MREJPXOYNUQVNP-ZWKOTPCHSA-N 2 0 335.492 1.350 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000514932926 448227434 /nfs/dbraw/zinc/22/74/34/448227434.db2.gz NRLBUZVISCYQKH-KDOFPFPSSA-N 2 0 332.444 1.869 20 0 EDADRP O[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)Cn1ccnn1 ZINC000572037694 448269472 /nfs/dbraw/zinc/26/94/72/448269472.db2.gz CFHRUAOGPQKXGZ-MSOLQXFVSA-N 2 0 341.459 1.426 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)nc1 ZINC000577484083 448308452 /nfs/dbraw/zinc/30/84/52/448308452.db2.gz MJFBVZRIIHMVHY-MRXNPFEDSA-N 2 0 334.464 1.809 20 0 EDADRP C[C@H](c1ccc(Cl)cc1)N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000515304133 448288745 /nfs/dbraw/zinc/28/87/45/448288745.db2.gz RFKHXCFYZPVIGM-MRXNPFEDSA-N 2 0 336.911 1.924 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC[C@H]1[NH3+] ZINC000591358451 448341177 /nfs/dbraw/zinc/34/11/77/448341177.db2.gz OLQATNMWSKFBMH-UONOGXRCSA-N 2 0 328.526 1.583 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000591409573 448354960 /nfs/dbraw/zinc/35/49/60/448354960.db2.gz UCDMTKWMGFITPQ-KBAYOESNSA-N 2 0 346.475 1.452 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000577720840 448367776 /nfs/dbraw/zinc/36/77/76/448367776.db2.gz SYTIZZIHKRHYCC-CQSZACIVSA-N 2 0 344.459 1.071 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000572263229 448331307 /nfs/dbraw/zinc/33/13/07/448331307.db2.gz QGUDNZUKKADOBY-GOSISDBHSA-N 3 0 347.507 1.008 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000582774648 448334701 /nfs/dbraw/zinc/33/47/01/448334701.db2.gz VQEWYKPKNDZWLC-QGZVFWFLSA-N 2 0 334.439 1.841 20 0 EDADRP CN1CCN([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c2cccs2)CC1 ZINC000572478226 448388692 /nfs/dbraw/zinc/38/86/92/448388692.db2.gz DABCJIBHLOIWQH-IIDMSEBBSA-N 2 0 348.516 1.152 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1ccc(Cl)cc1 ZINC000516050725 448373146 /nfs/dbraw/zinc/37/31/46/448373146.db2.gz YSFJXOSGXSLMSN-GOEBONIOSA-N 2 0 341.883 1.305 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000565810449 448380489 /nfs/dbraw/zinc/38/04/89/448380489.db2.gz JXOJOTGBNQAAOI-UHFFFAOYSA-N 2 0 334.468 1.709 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000572647609 448431917 /nfs/dbraw/zinc/43/19/17/448431917.db2.gz UCPAGDTZSLLMNF-KZNAEPCWSA-N 2 0 349.475 1.189 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@@H](C)C1 ZINC000566296301 448438511 /nfs/dbraw/zinc/43/85/11/448438511.db2.gz CLFRQPCDUMOABB-XIRDDKMYSA-N 2 0 333.480 1.610 20 0 EDADRP CCCOc1c(CN2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cccc1OCC ZINC000578083899 448459170 /nfs/dbraw/zinc/45/91/70/448459170.db2.gz ISLRWFJTVVPKTR-JKSUJKDBSA-N 2 0 347.459 1.618 20 0 EDADRP Cc1cc(C)n([C@H](C)C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)n1 ZINC000516825303 448476845 /nfs/dbraw/zinc/47/68/45/448476845.db2.gz PIGJWWBLQIXCOL-OAHLLOKOSA-N 2 0 342.447 1.846 20 0 EDADRP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000516921977 448496844 /nfs/dbraw/zinc/49/68/44/448496844.db2.gz APAMENCRWSETHX-SJORKVTESA-N 2 0 337.533 1.674 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000572930037 448496135 /nfs/dbraw/zinc/49/61/35/448496135.db2.gz TXFWQTGBRFAMTC-PIIMJCKOSA-N 2 0 347.507 1.924 20 0 EDADRP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)CC1(O)CCC1 ZINC000528363754 448499189 /nfs/dbraw/zinc/49/91/89/448499189.db2.gz FPIOEVLHCSCTLJ-QGZVFWFLSA-N 2 0 326.481 1.087 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000566551018 448505070 /nfs/dbraw/zinc/50/50/70/448505070.db2.gz UFRKFRWNNSTNML-SFHVURJKSA-N 2 0 347.507 1.313 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000566567732 448510931 /nfs/dbraw/zinc/51/09/31/448510931.db2.gz VNVUIAMOWWOUAT-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000516979195 448516278 /nfs/dbraw/zinc/51/62/78/448516278.db2.gz KYOANQFQLCPFJD-QGZVFWFLSA-N 2 0 345.487 1.472 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000584458715 448533205 /nfs/dbraw/zinc/53/32/05/448533205.db2.gz DSAWSKFKGTZIOB-FUHWJXTLSA-N 2 0 346.475 1.520 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)c1ccnc(C[NH3+])c1 ZINC000517235027 448558404 /nfs/dbraw/zinc/55/84/04/448558404.db2.gz BKHSUVMLQTWSPB-CYBMUJFWSA-N 2 0 345.472 1.557 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000537961718 448575824 /nfs/dbraw/zinc/57/58/24/448575824.db2.gz VLMWSJXZHDFHOY-OAGGEKHMSA-N 2 0 343.479 1.271 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000584467710 448538062 /nfs/dbraw/zinc/53/80/62/448538062.db2.gz CAIXYUVBIHVNKG-WBAXXEDZSA-N 2 0 331.460 1.520 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573306661 448592590 /nfs/dbraw/zinc/59/25/90/448592590.db2.gz BDUSARLKPJYENG-HNNXBMFYSA-N 2 0 334.464 1.811 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000578642562 448602715 /nfs/dbraw/zinc/60/27/15/448602715.db2.gz QOANNGOWCFEVMD-RDTXWAMCSA-N 2 0 332.444 1.869 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000528704265 448638271 /nfs/dbraw/zinc/63/82/71/448638271.db2.gz HEWSGMLFWPLPSJ-INIZCTEOSA-N 2 0 348.447 1.137 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)C2)C1=O ZINC000584816625 448640220 /nfs/dbraw/zinc/64/02/20/448640220.db2.gz WZKCQODJLZLCPO-QZTJIDSGSA-N 2 0 343.471 1.945 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000573582688 448665768 /nfs/dbraw/zinc/66/57/68/448665768.db2.gz JRBWZCCMJJTEIH-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000567378162 448680834 /nfs/dbraw/zinc/68/08/34/448680834.db2.gz QQWUZCZDQAEMPU-ZCNNSNEGSA-N 2 0 347.503 1.352 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000579138186 448726272 /nfs/dbraw/zinc/72/62/72/448726272.db2.gz NTHFMSXVXGBDOC-MAUKXSAKSA-N 2 0 341.459 1.359 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000579225346 448743888 /nfs/dbraw/zinc/74/38/88/448743888.db2.gz AOEOHBHTVOKIKB-OAHLLOKOSA-N 2 0 340.512 1.151 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000567764307 448755153 /nfs/dbraw/zinc/75/51/53/448755153.db2.gz WENLGSFZHYMDHM-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP C[N@H+](CCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000567773736 448756966 /nfs/dbraw/zinc/75/69/66/448756966.db2.gz KCDAFHHTLCWWQT-AWEZNQCLSA-N 2 0 334.468 1.024 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529310005 448817471 /nfs/dbraw/zinc/81/74/71/448817471.db2.gz MQCGUOLQQVBOBD-QAPCUYQASA-N 2 0 346.475 1.500 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000546042433 448818629 /nfs/dbraw/zinc/81/86/29/448818629.db2.gz OAWQJDNWMNZGHV-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000519696718 448820308 /nfs/dbraw/zinc/82/03/08/448820308.db2.gz CLZLMNVHJWIWDV-AZUAARDMSA-N 2 0 349.519 1.596 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529319540 448820757 /nfs/dbraw/zinc/82/07/57/448820757.db2.gz BNQMKSJMQBVMQR-QGZVFWFLSA-N 2 0 330.476 1.875 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)[C@H]1c1ccccc1 ZINC000529322945 448823529 /nfs/dbraw/zinc/82/35/29/448823529.db2.gz RXTKTJYOBXCUBY-HZPDHXFCSA-N 2 0 332.448 1.239 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529337745 448831005 /nfs/dbraw/zinc/83/10/05/448831005.db2.gz PHOAXRORNATEIW-HZPDHXFCSA-N 2 0 326.485 1.160 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NC[C@@H]3CCC[NH2+]3)CCCC2)CC1 ZINC000574297743 448840161 /nfs/dbraw/zinc/84/01/61/448840161.db2.gz VBWZADSRZCXYKJ-HNNXBMFYSA-N 2 0 338.496 1.461 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@H]1c1ccccc1 ZINC000520203838 448871468 /nfs/dbraw/zinc/87/14/68/448871468.db2.gz GKVOFDIFYZNPGW-RRFJBIMHSA-N 2 0 338.402 1.728 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000574397119 448864029 /nfs/dbraw/zinc/86/40/29/448864029.db2.gz IYBIGHBXYHKFIN-UHFFFAOYSA-N 2 0 346.475 1.399 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529604967 448904743 /nfs/dbraw/zinc/90/47/43/448904743.db2.gz IAGHQVOJKKEQDG-CQSZACIVSA-N 2 0 331.451 1.806 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000568763082 448918486 /nfs/dbraw/zinc/91/84/86/448918486.db2.gz CZTSHLDAFCGNNE-NVXWUHKLSA-N 2 0 348.466 1.676 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000588943170 448953099 /nfs/dbraw/zinc/95/30/99/448953099.db2.gz CNLDJBNKLISJEB-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)COC2CC[NH2+]CC2)cc1 ZINC000574786822 448957438 /nfs/dbraw/zinc/95/74/38/448957438.db2.gz AHLWKXJZSWQHOE-GOSISDBHSA-N 2 0 331.460 1.491 20 0 EDADRP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000521426637 448984647 /nfs/dbraw/zinc/98/46/47/448984647.db2.gz KKOXGMSCEUYANB-QZTJIDSGSA-N 2 0 339.911 1.859 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1ccnn1CC[NH+](C)C ZINC000574748704 448946542 /nfs/dbraw/zinc/94/65/42/448946542.db2.gz RGLDHEGVXLWYFE-CABCVRRESA-N 2 0 334.468 1.535 20 0 EDADRP C[C@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1CCCCCC1 ZINC000529914646 449004323 /nfs/dbraw/zinc/00/43/23/449004323.db2.gz VVZLKZXKSVUBAH-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000574918878 448990207 /nfs/dbraw/zinc/99/02/07/448990207.db2.gz BCLRETRRPHQJSO-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c21 ZINC000592955911 449076714 /nfs/dbraw/zinc/07/67/14/449076714.db2.gz FWJKNGBDGRYAAU-OAHLLOKOSA-N 2 0 345.491 1.810 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H]3C[NH+]3CCCC3)c21 ZINC000592957041 449077646 /nfs/dbraw/zinc/07/76/46/449077646.db2.gz LFSKVDVUIZNLOE-CABCVRRESA-N 2 0 331.464 1.420 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592959754 449083540 /nfs/dbraw/zinc/08/35/40/449083540.db2.gz PQMDMZSDEUAORY-IMJJTQAJSA-N 2 0 331.464 1.418 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000592898609 449042848 /nfs/dbraw/zinc/04/28/48/449042848.db2.gz JKBPJGHSTGNASZ-UHFFFAOYSA-N 2 0 343.537 1.385 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592961611 449085219 /nfs/dbraw/zinc/08/52/19/449085219.db2.gz PVQWKSGMSXAUOI-CVEARBPZSA-N 2 0 345.491 1.523 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCC(C)([NH+]3CCOCC3)CC2)cc1 ZINC000530231734 449089554 /nfs/dbraw/zinc/08/95/54/449089554.db2.gz LHKCUKTTXKASPN-SFHVURJKSA-N 2 0 347.503 1.924 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCCCC1 ZINC000575401777 449089602 /nfs/dbraw/zinc/08/96/02/449089602.db2.gz MQHBOVYJFKEAHC-ARFHVFGLSA-N 2 0 340.512 1.245 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)n1 ZINC000600131753 449207664 /nfs/dbraw/zinc/20/76/64/449207664.db2.gz HETZALMGPVRRPX-UHFFFAOYSA-N 2 0 348.491 1.622 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945317 449271313 /nfs/dbraw/zinc/27/13/13/449271313.db2.gz LHQKAPJMZNLIPP-DLBZAZTESA-N 2 0 335.517 1.842 20 0 EDADRP CS[C@H]1CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000590925576 449346046 /nfs/dbraw/zinc/34/60/46/449346046.db2.gz HGSDYRWVBGAOSS-ZFWWWQNUSA-N 2 0 326.510 1.302 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1)C(C)C ZINC000611625711 449363145 /nfs/dbraw/zinc/36/31/45/449363145.db2.gz CYHVFCAGERSXQB-UHFFFAOYSA-N 2 0 341.544 1.430 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000594458424 449530470 /nfs/dbraw/zinc/53/04/70/449530470.db2.gz AIKHYTZQJAEIBO-AWEZNQCLSA-N 2 0 333.480 1.666 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000607234380 449588518 /nfs/dbraw/zinc/58/85/18/449588518.db2.gz RXJOENBMQYJOOQ-UHFFFAOYSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000602480021 449623798 /nfs/dbraw/zinc/62/37/98/449623798.db2.gz DEJLGGRLFICXEB-HNNXBMFYSA-N 2 0 334.464 1.287 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)[nH]1 ZINC000602540620 449662158 /nfs/dbraw/zinc/66/21/58/449662158.db2.gz LSFISISZYILJMO-OAHLLOKOSA-N 2 0 336.480 1.555 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1ccc([S@](C)=O)cc1 ZINC000599063013 449713845 /nfs/dbraw/zinc/71/38/45/449713845.db2.gz WGQAZQBTRQQZQT-LTJFPGKXSA-N 2 0 337.489 1.414 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602685514 449750318 /nfs/dbraw/zinc/75/03/18/449750318.db2.gz IDXYIUSRHKNZSW-UHFFFAOYSA-N 2 0 336.480 1.615 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@@H](C(C)C)N2CCOCC2)C1 ZINC000601230013 449763397 /nfs/dbraw/zinc/76/33/97/449763397.db2.gz LCYDPKHCIWGKPK-SJORKVTESA-N 2 0 340.512 1.515 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000594928893 449812478 /nfs/dbraw/zinc/81/24/78/449812478.db2.gz WIXKNECHFNELLM-AITUJVMLSA-N 2 0 345.487 1.762 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2CCC[NH+]2C)C1 ZINC000608654812 449898344 /nfs/dbraw/zinc/89/83/44/449898344.db2.gz VZJSMDPTQUIKBV-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@]1(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000612930425 449944305 /nfs/dbraw/zinc/94/43/05/449944305.db2.gz NYYZNKHVKMXYCT-SRCQZFHVSA-N 2 0 338.402 1.462 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000612861667 449914084 /nfs/dbraw/zinc/91/40/84/449914084.db2.gz AAVVIYDPCFTRCR-PKOBYXMFSA-N 2 0 346.475 1.883 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)[C@@H](C)C1 ZINC000612882844 449924926 /nfs/dbraw/zinc/92/49/26/449924926.db2.gz GWALNDOIFYDIDH-ZOBUZTSGSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000612966913 449961551 /nfs/dbraw/zinc/96/15/51/449961551.db2.gz VJLYCMAHPXYPSK-CVEARBPZSA-N 2 0 334.439 1.870 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599657099 450133002 /nfs/dbraw/zinc/13/30/02/450133002.db2.gz CLENIXBTLJFEBC-AWEZNQCLSA-N 2 0 334.464 1.804 20 0 EDADRP COC(=O)[C@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](C(=O)OC)C2)C1 ZINC000610393924 450205162 /nfs/dbraw/zinc/20/51/62/450205162.db2.gz JBYUFFSBZMMVJS-HFZJXRFXSA-N 2 0 338.448 1.313 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CCSC1 ZINC000618665857 450268477 /nfs/dbraw/zinc/26/84/77/450268477.db2.gz QJCCVYZTUAVPNI-GDBMZVCRSA-N 2 0 325.522 1.947 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000615991131 450292694 /nfs/dbraw/zinc/29/26/94/450292694.db2.gz NJEDNGLSPYSEMS-IBGZPJMESA-N 2 0 345.487 1.439 20 0 EDADRP C[N@H+](CCC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1)C1CCCCC1 ZINC000620479746 450499650 /nfs/dbraw/zinc/49/96/50/450499650.db2.gz YHVISUGXBKHHNP-SFHVURJKSA-N 2 0 337.508 1.699 20 0 EDADRP FCCC[NH+]1CCN(C/C=C\CN2CC[NH+](CCCF)CC2)CC1 ZINC000626070091 450567637 /nfs/dbraw/zinc/56/76/37/450567637.db2.gz ZDZSLLLQHXHAGW-UPHRSURJSA-N 2 0 344.494 1.497 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000624164663 450730268 /nfs/dbraw/zinc/73/02/68/450730268.db2.gz BFZCVRICJIUHNT-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000629553886 450733626 /nfs/dbraw/zinc/73/36/26/450733626.db2.gz DCMLWQRQZDQGAU-QZTJIDSGSA-N 2 0 332.492 1.335 20 0 EDADRP CC[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000629613454 450762086 /nfs/dbraw/zinc/76/20/86/450762086.db2.gz ARVFBKZSSVMCGJ-KRWDZBQOSA-N 3 0 332.492 1.436 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000624357149 450806769 /nfs/dbraw/zinc/80/67/69/450806769.db2.gz HKXADMBZDCZOFT-GOSISDBHSA-N 2 0 345.491 1.687 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621653194 450817017 /nfs/dbraw/zinc/81/70/17/450817017.db2.gz ROEZMJDVBAZXAJ-OAHLLOKOSA-N 2 0 331.464 1.552 20 0 EDADRP NS(=O)(=O)c1cccc2c1CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000631884257 450846023 /nfs/dbraw/zinc/84/60/23/450846023.db2.gz HKHUKJMOGWGABQ-UHFFFAOYSA-N 2 0 337.489 1.472 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NCCCC[NH+]1CCOCC1 ZINC000635332717 450858361 /nfs/dbraw/zinc/85/83/61/450858361.db2.gz FQFWTTWNOYLMFP-UHFFFAOYSA-N 2 0 333.476 1.390 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1CCCC[NH+](C)C1 ZINC000624612415 450922607 /nfs/dbraw/zinc/92/26/07/450922607.db2.gz UBWCTDOLYITZMO-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000631931532 450890317 /nfs/dbraw/zinc/89/03/17/450890317.db2.gz KSOYTWDVEVDFBL-KRWDZBQOSA-N 2 0 335.473 1.711 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)CCOCC[NH3+])C1 ZINC000626975045 451044109 /nfs/dbraw/zinc/04/41/09/451044109.db2.gz MGNRQDJSAWWLOS-OAHLLOKOSA-N 2 0 328.501 1.504 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+](C)C)cc1 ZINC000626921493 451004591 /nfs/dbraw/zinc/00/45/91/451004591.db2.gz BOMJHUDRWWXVAM-KRWDZBQOSA-N 2 0 336.480 1.468 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000626929150 451012252 /nfs/dbraw/zinc/01/22/52/451012252.db2.gz IBBJZDMOLJJDTR-HZPDHXFCSA-N 2 0 326.485 1.175 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000626930944 451013717 /nfs/dbraw/zinc/01/37/17/451013717.db2.gz MCMFDSDVEXWBHG-DLBZAZTESA-N 2 0 331.464 1.486 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)C(=O)Nc1ccc2nccn2c1 ZINC000627906526 451014841 /nfs/dbraw/zinc/01/48/41/451014841.db2.gz AGADKKRVAIXPSB-OAHLLOKOSA-N 2 0 341.415 1.406 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000626945203 451024418 /nfs/dbraw/zinc/02/44/18/451024418.db2.gz RZVCYJIYWUDVLJ-RLLQIKCJSA-N 2 0 344.503 1.800 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000626954148 451031240 /nfs/dbraw/zinc/03/12/40/451031240.db2.gz OVPNJLPZTJRXSX-UHFFFAOYSA-N 2 0 326.485 1.306 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000622094680 451041281 /nfs/dbraw/zinc/04/12/81/451041281.db2.gz WOOARNZQSUVZHR-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[NH+](C)CC1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000632132331 451060535 /nfs/dbraw/zinc/06/05/35/451060535.db2.gz LPASCLBJIYCESW-UHFFFAOYSA-N 2 0 331.526 1.512 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCOCCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000626998403 451064270 /nfs/dbraw/zinc/06/42/70/451064270.db2.gz MNMKFBGFEXWCMU-NVXWUHKLSA-N 2 0 334.464 1.314 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627012415 451077473 /nfs/dbraw/zinc/07/74/73/451077473.db2.gz AFPMQOXNMNGKGZ-RDJZCZTQSA-N 2 0 334.464 1.042 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000626978459 451047124 /nfs/dbraw/zinc/04/71/24/451047124.db2.gz DWAIDIGYMHCYEA-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626982877 451050718 /nfs/dbraw/zinc/05/07/18/451050718.db2.gz VHTAIHPXAMFIQQ-MGPQQGTHSA-N 2 0 348.413 1.639 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000627087243 451118193 /nfs/dbraw/zinc/11/81/93/451118193.db2.gz GMWWYIXNKNNUDY-UHFFFAOYSA-N 2 0 336.480 1.193 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000635631036 451121138 /nfs/dbraw/zinc/12/11/38/451121138.db2.gz PZPPVXZODWOCOE-LJQANCHMSA-N 2 0 331.460 1.081 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[NH2+]1 ZINC000627113296 451129688 /nfs/dbraw/zinc/12/96/88/451129688.db2.gz VJLIDNPUVCPAPU-YJBOKZPZSA-N 2 0 345.491 1.733 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCOCC[NH2+]C)CC[N@@H+]1Cc1ccccc1 ZINC000627175356 451166055 /nfs/dbraw/zinc/16/60/55/451166055.db2.gz XHJRXOCIGWUHTB-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000627186317 451173566 /nfs/dbraw/zinc/17/35/66/451173566.db2.gz UBRYUGBOPQHRHC-QGZVFWFLSA-N 2 0 334.464 1.057 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627188877 451175499 /nfs/dbraw/zinc/17/54/99/451175499.db2.gz HKMYIWGCZNKPBO-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)NCCOCCC[NH3+])CC2)CC1 ZINC000627212661 451190028 /nfs/dbraw/zinc/19/00/28/451190028.db2.gz PFQQGIBNXGCUGP-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000627237881 451203219 /nfs/dbraw/zinc/20/32/19/451203219.db2.gz KOUDYOHLPUDMJD-BLLLJJGKSA-N 2 0 340.418 1.788 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635768097 451229256 /nfs/dbraw/zinc/22/92/56/451229256.db2.gz BDJJCCGRONSOMD-UHFFFAOYSA-N 2 0 347.463 1.327 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000640323001 451252391 /nfs/dbraw/zinc/25/23/91/451252391.db2.gz JOGFBHPZQNMDIK-SFHVURJKSA-N 2 0 340.427 1.434 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000638087382 451252456 /nfs/dbraw/zinc/25/24/56/451252456.db2.gz RVUGMWQTVYAZQO-MAUKXSAKSA-N 2 0 348.447 1.282 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C[NH2+]CCO1 ZINC000638091590 451257278 /nfs/dbraw/zinc/25/72/78/451257278.db2.gz ASWRYJPJJYIFHG-IBGZPJMESA-N 2 0 347.459 1.208 20 0 EDADRP [NH3+]Cc1nccn1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000630584493 451262716 /nfs/dbraw/zinc/26/27/16/451262716.db2.gz ZPCFYRHVFXNWRG-UHFFFAOYSA-N 2 0 345.472 1.529 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638102047 451268402 /nfs/dbraw/zinc/26/84/02/451268402.db2.gz HEEGXEPOKKFNKH-IEBWSBKVSA-N 2 0 349.475 1.400 20 0 EDADRP [NH3+][C@@H](c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccc(Br)cc1 ZINC000630605533 451272744 /nfs/dbraw/zinc/27/27/44/451272744.db2.gz KYIHLQMHCYHLKA-TZMCWYRMSA-N 2 0 336.237 1.841 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC000635827534 451276663 /nfs/dbraw/zinc/27/66/63/451276663.db2.gz ATWQMWFUUOZZNF-SJLPKXTDSA-N 2 0 330.476 1.704 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638112900 451281131 /nfs/dbraw/zinc/28/11/31/451281131.db2.gz WPNPJGPIKCDCLP-WSTZPKSXSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000638127862 451298006 /nfs/dbraw/zinc/29/80/06/451298006.db2.gz ZLJBMGMYOHKVAX-NVXWUHKLSA-N 2 0 334.508 1.538 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000638133854 451307207 /nfs/dbraw/zinc/30/72/07/451307207.db2.gz KXSDXLLNXSQMIZ-KYJSFNMBSA-N 2 0 330.476 1.187 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C2=CC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638136989 451310661 /nfs/dbraw/zinc/31/06/61/451310661.db2.gz DMHQIXDMVXIBGV-ROUUACIJSA-N 2 0 328.460 1.139 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@]3(C[NH3+])CCCOC3)c2)CC1 ZINC000638136925 451311043 /nfs/dbraw/zinc/31/10/43/451311043.db2.gz CKJOQSBMKIBLGM-IBGZPJMESA-N 2 0 346.475 1.128 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638142681 451315934 /nfs/dbraw/zinc/31/59/34/451315934.db2.gz MQLSOGYBERYVTM-IBGZPJMESA-N 2 0 327.472 1.865 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000638243788 451378138 /nfs/dbraw/zinc/37/81/38/451378138.db2.gz DKDCNDJUUXFQJM-FQBWVUSXSA-N 2 0 327.472 1.869 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000638287956 451405135 /nfs/dbraw/zinc/40/51/35/451405135.db2.gz YEYFJOJVUBJOPM-UOVPBQLFSA-N 2 0 333.476 1.718 20 0 EDADRP CO[C@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000638290789 451408165 /nfs/dbraw/zinc/40/81/65/451408165.db2.gz JOUQQUUNICVFGC-WOJBJXKFSA-N 2 0 347.503 1.445 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638305355 451420057 /nfs/dbraw/zinc/42/00/57/451420057.db2.gz VQRZQVPWCOEUCO-DNVCBOLYSA-N 2 0 346.475 1.479 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cn1 ZINC000638351774 451452808 /nfs/dbraw/zinc/45/28/08/451452808.db2.gz GFKLTWCFSZZLCW-MRXNPFEDSA-N 2 0 333.480 1.295 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)C)C[C@H]2CCC[NH+]2CC)CC[N@@H+]1C ZINC000630879040 451456949 /nfs/dbraw/zinc/45/69/49/451456949.db2.gz DHOSKOYDJWQOQS-FGTMMUONSA-N 3 0 338.540 1.591 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)cn1 ZINC000638365764 451463724 /nfs/dbraw/zinc/46/37/24/451463724.db2.gz DMVMUPGVALEHOX-DOTOQJQBSA-N 2 0 337.427 1.282 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634699254 451471668 /nfs/dbraw/zinc/47/16/68/451471668.db2.gz HBTHKPUEDDNCDF-SJORKVTESA-N 2 0 328.497 1.381 20 0 EDADRP CC1CC[NH+](CCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634700161 451473423 /nfs/dbraw/zinc/47/34/23/451473423.db2.gz UVMUYUBGTIMQTR-FQEVSTJZSA-N 2 0 331.504 1.945 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000638380064 451474951 /nfs/dbraw/zinc/47/49/51/451474951.db2.gz AINLKHPKNGGEMW-UHFFFAOYSA-N 2 0 333.476 1.388 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000638400634 451489173 /nfs/dbraw/zinc/48/91/73/451489173.db2.gz KGTYHJNOEKWQQG-ROUUACIJSA-N 2 0 346.519 1.682 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638335843 451441390 /nfs/dbraw/zinc/44/13/90/451441390.db2.gz WLEHKJNGZMKYMX-NFBUACBFSA-N 2 0 343.471 1.473 20 0 EDADRP CN(C)c1cc(NC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)ccn1 ZINC000640597923 451442565 /nfs/dbraw/zinc/44/25/65/451442565.db2.gz JOOJSQGZNMCSOF-UHFFFAOYSA-N 2 0 347.463 1.866 20 0 EDADRP CCC(C)(C)[C@@H](O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638344962 451448488 /nfs/dbraw/zinc/44/84/88/451448488.db2.gz SEMCYMGFAIVCAJ-KRWDZBQOSA-N 2 0 347.503 1.893 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccncc2Br)CC1 ZINC000631040332 451547591 /nfs/dbraw/zinc/54/75/91/451547591.db2.gz BYGHBJWBRRMECR-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000636144171 451545610 /nfs/dbraw/zinc/54/56/10/451545610.db2.gz YPKZSAYLAKXYNJ-IRXDYDNUSA-N 2 0 341.496 1.104 20 0 EDADRP [NH3+]Cc1cccc2c1N(C(=O)c1cc([C@H]3CC[NH2+]C3)[nH]n1)CCC2 ZINC000638543516 451570300 /nfs/dbraw/zinc/57/03/00/451570300.db2.gz LJQPAHUVZFBBKI-AWEZNQCLSA-N 2 0 325.416 1.538 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1)CCCC2 ZINC000631102775 451585518 /nfs/dbraw/zinc/58/55/18/451585518.db2.gz VVEGOXIMYJGHAL-UHFFFAOYSA-N 2 0 343.475 1.924 20 0 EDADRP C[NH2+]CCOCCNC(=O)[C@@H](C)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000638578543 451586786 /nfs/dbraw/zinc/58/67/86/451586786.db2.gz NMNWFYCJQXBZRU-QGZVFWFLSA-N 2 0 347.503 1.682 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccn(C(F)F)c3=O)C2)CC1 ZINC000638588732 451592482 /nfs/dbraw/zinc/59/24/82/451592482.db2.gz MJQLXTBUOUHDFV-CQSZACIVSA-N 2 0 340.418 1.502 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000635009886 451647811 /nfs/dbraw/zinc/64/78/11/451647811.db2.gz IDIXQSYKJWPJDU-GXTWGEPZSA-N 2 0 325.478 1.763 20 0 EDADRP CO[C@@]1(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCOC1 ZINC000638692648 451656478 /nfs/dbraw/zinc/65/64/78/451656478.db2.gz KMSZUYQIQIGLFO-GOSISDBHSA-N 2 0 325.497 1.332 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000638764272 451683539 /nfs/dbraw/zinc/68/35/39/451683539.db2.gz SNCSZMVLSHELNL-ROUUACIJSA-N 2 0 339.524 1.455 20 0 EDADRP [NH3+][C@@H](CCNC(=O)Cc1cccc2c1CC[NH2+]C2)Cc1ccccc1 ZINC000638881954 451718075 /nfs/dbraw/zinc/71/80/75/451718075.db2.gz ZDLWTBKLISNFRH-IBGZPJMESA-N 2 0 337.467 1.951 20 0 EDADRP COC1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000638837035 451706219 /nfs/dbraw/zinc/70/62/19/451706219.db2.gz XHDSUTLPAQFSCC-WMZOPIPTSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000638901028 451724984 /nfs/dbraw/zinc/72/49/84/451724984.db2.gz IRXKRKRHVDUXTH-GOEBONIOSA-N 2 0 334.464 1.559 20 0 EDADRP C[C@@H](NC(=O)CC(C)(C)C)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638983845 451746128 /nfs/dbraw/zinc/74/61/28/451746128.db2.gz HPIPFXFWIQHVQG-CYBMUJFWSA-N 2 0 347.463 1.371 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638985092 451746900 /nfs/dbraw/zinc/74/69/00/451746900.db2.gz YFNJMXZYRGFTMJ-MRXNPFEDSA-N 3 0 325.416 1.520 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC(=O)C2CC[NH2+]CC2)nn1 ZINC000641167729 451767775 /nfs/dbraw/zinc/76/77/75/451767775.db2.gz WSTKENURWLPYDL-KRWDZBQOSA-N 2 0 348.495 1.157 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639169386 451784008 /nfs/dbraw/zinc/78/40/08/451784008.db2.gz KBDATVAAQMUVLT-UHFFFAOYSA-N 2 0 346.475 1.601 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC1CC[NH2+]CC1 ZINC000653272036 451807256 /nfs/dbraw/zinc/80/72/56/451807256.db2.gz WKPFYSMMQJZXFO-UHFFFAOYSA-N 2 0 345.491 1.100 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C1CCOCC1 ZINC000639310594 451819742 /nfs/dbraw/zinc/81/97/42/451819742.db2.gz XWZUDIFUXROJFN-VQTJNVASSA-N 2 0 348.487 1.784 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)[C@@]2(O)CCCOC2)CC1 ZINC000639330118 451829373 /nfs/dbraw/zinc/82/93/73/451829373.db2.gz QUXBCXPGDAVBSO-GOSISDBHSA-N 2 0 328.497 1.379 20 0 EDADRP Cc1c(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)nnn1C1CC[NH2+]CC1 ZINC000646805930 451852662 /nfs/dbraw/zinc/85/26/62/451852662.db2.gz OQZJQESUMPAGKL-LBPRGKRZSA-N 2 0 342.447 1.461 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644562963 451865133 /nfs/dbraw/zinc/86/51/33/451865133.db2.gz JAYRUPDRBMMFBX-RTBURBONSA-N 2 0 349.519 1.516 20 0 EDADRP O[C@@]1(CN2CC[C@H]([NH+]3CCCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639469744 451882624 /nfs/dbraw/zinc/88/26/24/451882624.db2.gz ACWWOYBHWVBPGQ-VQTJNVASSA-N 2 0 329.488 1.794 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1)CC(C)C ZINC000642531667 451886824 /nfs/dbraw/zinc/88/68/24/451886824.db2.gz ZEZOCWOGYMVEIZ-HZPDHXFCSA-N 2 0 340.512 1.117 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CC[NH+]2C2CCCC2)[C@@H](C)C1 ZINC000637469963 451886950 /nfs/dbraw/zinc/88/69/50/451886950.db2.gz GVPUDHRIPVCXAP-YQQAZPJKSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000637505559 451913546 /nfs/dbraw/zinc/91/35/46/451913546.db2.gz CDBYEFIAWVGING-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000649278719 451949586 /nfs/dbraw/zinc/94/95/86/451949586.db2.gz YLOMYQOCKBIFNF-AEFFLSMTSA-N 2 0 335.448 1.183 20 0 EDADRP COCCC1(C(=O)NCCC[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000649278555 451950017 /nfs/dbraw/zinc/95/00/17/451950017.db2.gz LQRSJENBDMBFIL-UHFFFAOYSA-N 2 0 325.497 1.775 20 0 EDADRP Fc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000649253094 451932816 /nfs/dbraw/zinc/93/28/16/451932816.db2.gz IJUZLWDLZOBATK-FCGDIQPGSA-N 2 0 344.478 1.128 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000649287850 451960682 /nfs/dbraw/zinc/96/06/82/451960682.db2.gz CTHPCTUVFFGCJA-AWEZNQCLSA-N 2 0 344.419 1.005 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccsc1 ZINC000649292365 451967650 /nfs/dbraw/zinc/96/76/50/451967650.db2.gz BPBQJEHPOOJWKQ-CABCVRRESA-N 2 0 325.478 1.483 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649299216 451977125 /nfs/dbraw/zinc/97/71/25/451977125.db2.gz AKUZKKFZGAQPES-HKUYNNGSSA-N 2 0 331.460 1.536 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649299442 451977264 /nfs/dbraw/zinc/97/72/64/451977264.db2.gz VQLDHYUSXWJNSS-ZDUSSCGKSA-N 2 0 344.419 1.135 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)[NH+](C)C)cc1 ZINC000649302949 451980134 /nfs/dbraw/zinc/98/01/34/451980134.db2.gz IQDOFNJNEYBRFB-DLBZAZTESA-N 2 0 346.475 1.054 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CCC(C)(C)[NH3+])ccc2oc1=O ZINC000649312388 451990197 /nfs/dbraw/zinc/99/01/97/451990197.db2.gz LQNFTJHZVUPVAP-UHFFFAOYSA-N 2 0 334.420 1.612 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649319671 451997935 /nfs/dbraw/zinc/99/79/35/451997935.db2.gz PZOJPPZZUMRNDY-LJQANCHMSA-N 2 0 345.487 1.593 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C1(C)C ZINC000649319361 451998187 /nfs/dbraw/zinc/99/81/87/451998187.db2.gz ZFCFCDFVMZPUDC-PBHICJAKSA-N 2 0 329.404 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649319710 451998736 /nfs/dbraw/zinc/99/87/36/451998736.db2.gz RZUDRGLPVVXGLT-OIISXLGYSA-N 2 0 333.480 1.022 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649320984 452000459 /nfs/dbraw/zinc/00/04/59/452000459.db2.gz HMGKGHRXZJTNMS-SJLPKXTDSA-N 2 0 346.475 1.084 20 0 EDADRP C[C@@H]1CN(CCC[NH2+]Cc2cnnn2-c2ccccc2)C[C@H](C)O1 ZINC000651670739 452004600 /nfs/dbraw/zinc/00/46/00/452004600.db2.gz UTMKRFILRXNLOK-IYBDPMFKSA-N 2 0 329.448 1.856 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649326999 452007342 /nfs/dbraw/zinc/00/73/42/452007342.db2.gz NIUSDAJFGLERTC-CVEARBPZSA-N 2 0 331.464 1.047 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668267 452010333 /nfs/dbraw/zinc/01/03/33/452010333.db2.gz ZAJJKTWIEPLBCI-UHFFFAOYSA-N 2 0 336.484 1.954 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[N@H+](C)Cc1ccccc1 ZINC000649332316 452012465 /nfs/dbraw/zinc/01/24/65/452012465.db2.gz RRQOVMFEVREVNG-HOCLYGCPSA-N 2 0 342.447 1.063 20 0 EDADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000649342940 452022720 /nfs/dbraw/zinc/02/27/20/452022720.db2.gz YBFRDPFKRMWXPB-HNNXBMFYSA-N 2 0 345.434 1.335 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@]3(N)CC[N@H+](C)C3)CC2)CC1 ZINC000649344824 452024470 /nfs/dbraw/zinc/02/44/70/452024470.db2.gz RTCCSIKFTYREMC-FAFZWHIHSA-N 2 0 336.524 1.378 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000649343605 452024826 /nfs/dbraw/zinc/02/48/26/452024826.db2.gz JUYOUTFCTAOMAZ-UHFFFAOYSA-N 2 0 333.476 1.777 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CCC[NH2+]1 ZINC000649350205 452033285 /nfs/dbraw/zinc/03/32/85/452033285.db2.gz OVRYXOJFAJKIDH-IBGZPJMESA-N 2 0 346.475 1.141 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351776 452036131 /nfs/dbraw/zinc/03/61/31/452036131.db2.gz RDXDIKFQIIBCOS-LBPRGKRZSA-N 2 0 339.390 1.017 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NCc2ccc(F)cc2)CC1 ZINC000643080992 452036218 /nfs/dbraw/zinc/03/62/18/452036218.db2.gz XSPVALMLRMJKGA-IEBWSBKVSA-N 2 0 349.450 1.660 20 0 EDADRP COc1cc(Cl)ccc1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000643088705 452036346 /nfs/dbraw/zinc/03/63/46/452036346.db2.gz DBIORVQXIOOOQJ-UHFFFAOYSA-N 2 0 335.857 1.037 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CC1 ZINC000649371627 452047699 /nfs/dbraw/zinc/04/76/99/452047699.db2.gz YJBPJHIAGNHQFK-SFHVURJKSA-N 2 0 330.476 1.099 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649382217 452055680 /nfs/dbraw/zinc/05/56/80/452055680.db2.gz WMZKUSRDRRCFAZ-YZGWKJHDSA-N 2 0 331.504 1.863 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CCc3nnnn3-c3ccccc3)C2)CC1 ZINC000639758264 452096758 /nfs/dbraw/zinc/09/67/58/452096758.db2.gz SAFXLJHYZDFDJJ-UHFFFAOYSA-N 2 0 326.448 1.623 20 0 EDADRP [NH3+]CC1(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)CCCC1 ZINC000637842368 452111262 /nfs/dbraw/zinc/11/12/62/452111262.db2.gz YOIFSHTYFDBAHD-UHFFFAOYSA-N 2 0 342.394 1.142 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637845508 452113530 /nfs/dbraw/zinc/11/35/30/452113530.db2.gz YLRIWERSKCSSBO-BMGDILEWSA-N 2 0 333.476 1.943 20 0 EDADRP CC(C)Cn1nccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000647217647 452130590 /nfs/dbraw/zinc/13/05/90/452130590.db2.gz ZUHYMUQXNRANFS-UHFFFAOYSA-N 2 0 349.523 1.425 20 0 EDADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000645106562 452154345 /nfs/dbraw/zinc/15/43/45/452154345.db2.gz GTLVFEIVUKYVGT-ILZDJORESA-N 2 0 327.472 1.908 20 0 EDADRP Cc1cncc(CC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000649584730 452155775 /nfs/dbraw/zinc/15/57/75/452155775.db2.gz BPQYLROJUFCFTG-UHFFFAOYSA-N 2 0 331.508 1.677 20 0 EDADRP C(=C\C[N@@H+]1CC[C@@H](n2cccn2)C1)\C[NH+]1CC[C@H](n2cccn2)C1 ZINC000643393330 452176596 /nfs/dbraw/zinc/17/65/96/452176596.db2.gz IEADBMDEXDJWBI-OEHAVNEVSA-N 2 0 326.448 1.830 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643464044 452234647 /nfs/dbraw/zinc/23/46/47/452234647.db2.gz YTWFRBLHGYQJHU-YDZRNGNQSA-N 2 0 348.487 1.790 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)[nH]1 ZINC000655459016 452253395 /nfs/dbraw/zinc/25/33/95/452253395.db2.gz YFKKJPRVIOVLKF-CXAGYDPISA-N 2 0 326.404 1.259 20 0 EDADRP CC[C@H](CNC(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000659433707 452278468 /nfs/dbraw/zinc/27/84/68/452278468.db2.gz FPYRFGCPECMEGJ-RVSXGSNBSA-N 2 0 342.487 1.956 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659446421 452295052 /nfs/dbraw/zinc/29/50/52/452295052.db2.gz NZBHOAOVQCNPDW-KBRIMQKVSA-N 2 0 336.455 1.911 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)N(CC)CCC[NH+](CC)CC)CC[C@H]1[NH3+] ZINC000643532204 452295895 /nfs/dbraw/zinc/29/58/95/452295895.db2.gz GGJQZMWCHOYCCB-JKSUJKDBSA-N 2 0 340.512 1.153 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2([NH3+])CCCC2)Cc2ccccc2C1 ZINC000659459089 452312075 /nfs/dbraw/zinc/31/20/75/452312075.db2.gz ICVDWXCJFNPHHR-UHFFFAOYSA-N 2 0 330.476 1.656 20 0 EDADRP COc1ccc([C@H](CNC(=O)C2=CC[C@@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000638049786 452320291 /nfs/dbraw/zinc/32/02/91/452320291.db2.gz NRGDNIXWJHTTKM-AEFFLSMTSA-N 2 0 329.444 1.996 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652125431 452321121 /nfs/dbraw/zinc/32/11/21/452321121.db2.gz SKGGQGXNZDMVCV-UHFFFAOYSA-N 2 0 334.464 1.555 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC(CC(F)(F)F)C1 ZINC000665759245 452326440 /nfs/dbraw/zinc/32/64/40/452326440.db2.gz AVURFTQJJVFGCQ-LBPRGKRZSA-N 2 0 338.418 1.852 20 0 EDADRP CS(=O)(=O)CC1(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657547002 452328861 /nfs/dbraw/zinc/32/88/61/452328861.db2.gz KGIRJHZCHUZYJO-UHFFFAOYSA-N 2 0 334.445 1.572 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCC1CC[NH2+]CC1 ZINC000652136818 452332389 /nfs/dbraw/zinc/33/23/89/452332389.db2.gz ZQGRGIZRRKCIMH-GOSISDBHSA-N 2 0 332.492 1.848 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000638056814 452344219 /nfs/dbraw/zinc/34/42/19/452344219.db2.gz LAMDAYPJWVSQTB-GVDBMIGSSA-N 2 0 335.448 1.311 20 0 EDADRP CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000665763750 452348838 /nfs/dbraw/zinc/34/88/38/452348838.db2.gz KZQJEXNBGHLCMO-IRXDYDNUSA-N 2 0 341.544 1.384 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC000652159100 452352842 /nfs/dbraw/zinc/35/28/42/452352842.db2.gz RMHXZPKUJKGYFL-HMDCTGQHSA-N 2 0 338.496 1.397 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1)Cc1ccccc1 ZINC000638064837 452363181 /nfs/dbraw/zinc/36/31/81/452363181.db2.gz OQCSUKDFJIXESP-NSHGMRRFSA-N 2 0 347.503 1.823 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C1 ZINC000638064870 452364346 /nfs/dbraw/zinc/36/43/46/452364346.db2.gz PEJVBENGKDKKIV-QGWWYQLQSA-N 2 0 345.487 1.897 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000638066155 452369594 /nfs/dbraw/zinc/36/95/94/452369594.db2.gz DMFOQRMPGCBRPD-IEBWSBKVSA-N 2 0 347.459 1.349 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000638067123 452369816 /nfs/dbraw/zinc/36/98/16/452369816.db2.gz AKETWURDVJVXAV-DAYGRLMNSA-N 2 0 333.476 1.944 20 0 EDADRP O=C(CN1CC[NH2+]CC1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000638068582 452374456 /nfs/dbraw/zinc/37/44/56/452374456.db2.gz DFDQJMMSBWSVBV-SFHVURJKSA-N 2 0 330.476 1.235 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638071388 452379749 /nfs/dbraw/zinc/37/97/49/452379749.db2.gz IRNADELDRXVAAH-ICSRJNTNSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663640405 452382853 /nfs/dbraw/zinc/38/28/53/452382853.db2.gz DTHFGYVDNTWWEK-INIZCTEOSA-N 2 0 327.517 1.044 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659522645 452387261 /nfs/dbraw/zinc/38/72/61/452387261.db2.gz FDSWSXLQSBVLKR-MSOLQXFVSA-N 2 0 348.491 1.570 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)CCC[NH2+]1 ZINC000659542059 452401688 /nfs/dbraw/zinc/40/16/88/452401688.db2.gz NFTROFAEDSDVSW-FUHWJXTLSA-N 2 0 338.496 1.176 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)CC1 ZINC000640061465 452402034 /nfs/dbraw/zinc/40/20/34/452402034.db2.gz FPBUFQWXZCMXKJ-GFCCVEGCSA-N 2 0 346.431 1.785 20 0 EDADRP C[C@@H](NC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1)[C@H](C)[NH3+] ZINC000659551391 452408395 /nfs/dbraw/zinc/40/83/95/452408395.db2.gz TUBJRVZCTLNCGW-JKSUJKDBSA-N 2 0 345.491 1.376 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659562239 452418399 /nfs/dbraw/zinc/41/83/99/452418399.db2.gz YUVAFRPUDAQIQF-BVPBIZIASA-N 2 0 348.466 1.911 20 0 EDADRP CC1(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000659564532 452418993 /nfs/dbraw/zinc/41/89/93/452418993.db2.gz BPSOGAKBRXXRDV-UHFFFAOYSA-N 2 0 345.491 1.735 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[C@@H]1[NH3+] ZINC000659567474 452423469 /nfs/dbraw/zinc/42/34/69/452423469.db2.gz VQGYBBXPWXCOJO-YJBOKZPZSA-N 2 0 345.491 1.672 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659575822 452430751 /nfs/dbraw/zinc/43/07/51/452430751.db2.gz BYHHNTDUTYBHPP-KZNAEPCWSA-N 2 0 330.476 1.916 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659588806 452445104 /nfs/dbraw/zinc/44/51/04/452445104.db2.gz IPYUQGUPDUUCPP-HZPDHXFCSA-N 2 0 336.455 1.911 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000645485068 452455026 /nfs/dbraw/zinc/45/50/26/452455026.db2.gz GFACMZKPHUGDHN-SFHVURJKSA-N 2 0 332.492 1.610 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000659624883 452482501 /nfs/dbraw/zinc/48/25/01/452482501.db2.gz ZYFKWJWVAHMLPI-MRXNPFEDSA-N 2 0 328.501 1.502 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647795473 452526232 /nfs/dbraw/zinc/52/62/32/452526232.db2.gz QGPBCFMNVLJQDD-OFQRWUPVSA-N 2 0 343.537 1.557 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CCO1 ZINC000640218722 452527666 /nfs/dbraw/zinc/52/76/66/452527666.db2.gz SZDOHERBJQWTIX-VHSSKADRSA-N 2 0 342.443 1.597 20 0 EDADRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1C[NH3+] ZINC000652356907 452535362 /nfs/dbraw/zinc/53/53/62/452535362.db2.gz PEZZNWJXSZQCCZ-MLGOLLRUSA-N 2 0 335.404 1.040 20 0 EDADRP CN(CC[NH+](C)C1CC1)c1cnc(N(C)CC[N@H+](C)C2CC2)cn1 ZINC000663809929 452536462 /nfs/dbraw/zinc/53/64/62/452536462.db2.gz HCYCLESHOCYMBQ-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP O=C(CC[N@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc2c(c1)OCO2 ZINC000647814516 452543201 /nfs/dbraw/zinc/54/32/01/452543201.db2.gz RLLWUNCITJGSEN-UHFFFAOYSA-N 2 0 331.416 1.960 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCC2([NH3+])CCCC2)C1 ZINC000659681616 452555287 /nfs/dbraw/zinc/55/52/87/452555287.db2.gz XSUFWWNWASONGG-CQSZACIVSA-N 2 0 338.496 1.001 20 0 EDADRP OCCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655771103 452568823 /nfs/dbraw/zinc/56/88/23/452568823.db2.gz AGZJDUSPEJWVHU-ROUUACIJSA-N 2 0 325.497 1.066 20 0 EDADRP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CCN1CC[NH2+]CC1 ZINC000647835066 452571185 /nfs/dbraw/zinc/57/11/85/452571185.db2.gz LHJYRWRXCLGXNA-UHFFFAOYSA-N 2 0 342.846 1.645 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000655830406 452602376 /nfs/dbraw/zinc/60/23/76/452602376.db2.gz WQJFIXXTNXTQKN-HOCLYGCPSA-N 2 0 343.475 1.964 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654569425 452654611 /nfs/dbraw/zinc/65/46/11/452654611.db2.gz IDDHMNRPUVEOQL-VVLHAWIVSA-N 2 0 342.528 1.904 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000650277523 452655248 /nfs/dbraw/zinc/65/52/48/452655248.db2.gz SGVNDWMJNIHHKF-UHFFFAOYSA-N 2 0 342.491 1.773 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655912196 452670217 /nfs/dbraw/zinc/67/02/17/452670217.db2.gz RZKUICAARAGROU-QWHCGFSZSA-N 2 0 332.370 1.348 20 0 EDADRP C[C@H](NC(=O)N[C@H](C[NH3+])C(F)(F)F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000655921579 452684725 /nfs/dbraw/zinc/68/47/25/452684725.db2.gz MDCGHGXZDSKONZ-GMXVVIOVSA-N 2 0 336.402 1.828 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000647966302 452710331 /nfs/dbraw/zinc/71/03/31/452710331.db2.gz LIURUCLJDALXQZ-LJQANCHMSA-N 2 0 334.508 1.333 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664033949 452733022 /nfs/dbraw/zinc/73/30/22/452733022.db2.gz IISHYSVMZHETBF-AWEZNQCLSA-N 2 0 328.501 1.515 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655958482 452736725 /nfs/dbraw/zinc/73/67/25/452736725.db2.gz LBDVVYGPHODTGS-HOTGVXAUSA-N 2 0 330.432 1.217 20 0 EDADRP C[NH+](C)C1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000666285635 452744925 /nfs/dbraw/zinc/74/49/25/452744925.db2.gz DTIVOEMPDJXSMQ-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccnn2-c2ccccn2)CC1 ZINC000648007395 452749559 /nfs/dbraw/zinc/74/95/59/452749559.db2.gz GFBKXAJORZEHCS-INIZCTEOSA-N 2 0 343.475 1.792 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971031 452751786 /nfs/dbraw/zinc/75/17/86/452751786.db2.gz QFBWYFDMNLORDP-CUSZFKRNSA-N 2 0 338.496 1.269 20 0 EDADRP Cc1c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cnn1-c1ccc(C)cc1 ZINC000652616098 452773159 /nfs/dbraw/zinc/77/31/59/452773159.db2.gz YSRWQKOXCLXFKP-INIZCTEOSA-N 2 0 342.447 1.596 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1CCOC ZINC000654662501 452777038 /nfs/dbraw/zinc/77/70/38/452777038.db2.gz QZIDHLAYHRSMQT-ZACQAIPSSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654665463 452777640 /nfs/dbraw/zinc/77/76/40/452777640.db2.gz JCCVGAJWBPXFNF-YQQAZPJKSA-N 2 0 338.496 1.221 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648048950 452783490 /nfs/dbraw/zinc/78/34/90/452783490.db2.gz SEOXKPFYWNSGAW-CVEARBPZSA-N 2 0 334.489 1.115 20 0 EDADRP C[N@@H+]1C[C@@H](C[NH2+]C[C@H]2CNc3ccnn3C2)[C@H](c2ccccc2)C1 ZINC000648068404 452797010 /nfs/dbraw/zinc/79/70/10/452797010.db2.gz WQDLZKVMOJIXRV-JQHSSLGASA-N 2 0 325.460 1.860 20 0 EDADRP CO[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCOC1 ZINC000659911503 452800282 /nfs/dbraw/zinc/80/02/82/452800282.db2.gz YNOFQJDELPQKPH-KZNAEPCWSA-N 2 0 325.497 1.140 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NCC(C)(C)[NH3+])C1CCCCC1 ZINC000652700792 452850303 /nfs/dbraw/zinc/85/03/03/452850303.db2.gz WFSIIRLHEPLUCW-UHFFFAOYSA-N 2 0 326.485 1.001 20 0 EDADRP CC(C)NC(=O)[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000662118978 452857671 /nfs/dbraw/zinc/85/76/71/452857671.db2.gz NPRUNDMBSQPXNT-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000656104231 452863453 /nfs/dbraw/zinc/86/34/53/452863453.db2.gz KVEWMMVCIHSIRI-HUUCEWRRSA-N 2 0 338.496 1.048 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654749392 452879907 /nfs/dbraw/zinc/87/99/07/452879907.db2.gz OXXOBXDVVNBGOU-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc(N2CCN(C)CC2)nc1 ZINC000650719533 452949728 /nfs/dbraw/zinc/94/97/28/452949728.db2.gz SYCJETLZXSABCF-UHFFFAOYSA-N 2 0 340.475 1.238 20 0 EDADRP C[C@H](CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C)[NH+](C)C ZINC000658425159 452950826 /nfs/dbraw/zinc/95/08/26/452950826.db2.gz FGNGRRCBLJHYHZ-CQSZACIVSA-N 2 0 334.464 1.186 20 0 EDADRP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)[nH]1 ZINC000650723828 452951481 /nfs/dbraw/zinc/95/14/81/452951481.db2.gz URYHRUIAMCXLEJ-KBRIMQKVSA-N 2 0 334.464 1.577 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H](C[NH3+])c3ccccc3)C2)CC1 ZINC000645977712 452965330 /nfs/dbraw/zinc/96/53/30/452965330.db2.gz JKHIMQZNRNBJQY-FUHWJXTLSA-N 2 0 330.476 1.014 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1)c1ccccc1 ZINC000662255813 452985883 /nfs/dbraw/zinc/98/58/83/452985883.db2.gz DQXQOPQMXSXUGI-ZWKOTPCHSA-N 2 0 343.471 1.792 20 0 EDADRP COCC[N@H+](CCOc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258933 452987969 /nfs/dbraw/zinc/98/79/69/452987969.db2.gz YOMMNTDNQNPMAQ-QGZVFWFLSA-N 2 0 338.423 1.674 20 0 EDADRP FC1(F)Oc2ccc(CC[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2O1 ZINC000662277457 453001535 /nfs/dbraw/zinc/00/15/35/453001535.db2.gz UYQOHFQYEJYZGJ-CQSZACIVSA-N 2 0 339.386 1.530 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000662274012 453002981 /nfs/dbraw/zinc/00/29/81/453002981.db2.gz RLLVLURFGLIPCK-UHFFFAOYSA-N 2 0 339.505 1.936 20 0 EDADRP c1nc([C@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662282824 453007105 /nfs/dbraw/zinc/00/71/05/453007105.db2.gz QWYHGJNMNTXUBB-RDJZCZTQSA-N 2 0 330.476 1.920 20 0 EDADRP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293551 453017122 /nfs/dbraw/zinc/01/71/22/453017122.db2.gz LWFGXAIOBRBQOQ-IAGOWNOFSA-N 2 0 345.491 1.545 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662337612 453055200 /nfs/dbraw/zinc/05/52/00/453055200.db2.gz MAKDPBPKWCVSGN-AWEZNQCLSA-N 2 0 330.436 1.495 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)c1cccs1 ZINC000662347100 453063718 /nfs/dbraw/zinc/06/37/18/453063718.db2.gz ALEVNKNSROVBQT-ZDUSSCGKSA-N 2 0 348.476 1.297 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000666697354 453075588 /nfs/dbraw/zinc/07/55/88/453075588.db2.gz MRJQAQDXJNIIRN-AWEZNQCLSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662386375 453094551 /nfs/dbraw/zinc/09/45/51/453094551.db2.gz FTSHNZVSDTUAAW-XHSDSOJGSA-N 2 0 347.507 1.975 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662387711 453096551 /nfs/dbraw/zinc/09/65/51/453096551.db2.gz HPVBLQWZRSZZQL-HUUCEWRRSA-N 2 0 333.480 1.729 20 0 EDADRP Cc1cccc(OC[C@H](O)C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103417 453103694 /nfs/dbraw/zinc/10/36/94/453103694.db2.gz RKIBEQPMXSMDRT-QGZVFWFLSA-N 2 0 334.460 1.531 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000660179493 453107755 /nfs/dbraw/zinc/10/77/55/453107755.db2.gz KWQRIVFELXRUQO-INIZCTEOSA-N 2 0 331.526 1.370 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000666754436 453117680 /nfs/dbraw/zinc/11/76/80/453117680.db2.gz NHDIWPLEYPBLAC-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000666754343 453118959 /nfs/dbraw/zinc/11/89/59/453118959.db2.gz LGFXKKNLJZYARJ-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000662460101 453169035 /nfs/dbraw/zinc/16/90/35/453169035.db2.gz PYTPEWITJUZBKG-ZACQAIPSSA-N 2 0 325.497 1.852 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188810 453201595 /nfs/dbraw/zinc/20/15/95/453201595.db2.gz MJXZUPBNPCDXGI-QGZVFWFLSA-N 2 0 345.491 1.113 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662521147 453239807 /nfs/dbraw/zinc/23/98/07/453239807.db2.gz CPQZHQWAZBQRGI-CABCVRRESA-N 2 0 346.479 1.054 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000660362635 453247978 /nfs/dbraw/zinc/24/79/78/453247978.db2.gz RKQQEVPWXCMGHI-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660395120 453269455 /nfs/dbraw/zinc/26/94/55/453269455.db2.gz AACBAZCBGYFEHV-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662554910 453285068 /nfs/dbraw/zinc/28/50/68/453285068.db2.gz SSAGZOVXDQKTJD-KDOFPFPSSA-N 2 0 327.428 1.599 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648804070 453289169 /nfs/dbraw/zinc/28/91/69/453289169.db2.gz RNXDNKDBCYEISG-SZVBFZGTSA-N 2 0 331.460 1.080 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653109068 453293219 /nfs/dbraw/zinc/29/32/19/453293219.db2.gz RASTZZLDMSFBFY-LJQANCHMSA-N 2 0 346.519 1.814 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000653112469 453300237 /nfs/dbraw/zinc/30/02/37/453300237.db2.gz ZLPFMULCHWBJJC-ROUUACIJSA-N 2 0 332.492 1.436 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653114096 453301711 /nfs/dbraw/zinc/30/17/11/453301711.db2.gz YAMLQFFCLLHKNC-QZTJIDSGSA-N 2 0 332.492 1.527 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)c1ccccc1 ZINC000653117423 453304562 /nfs/dbraw/zinc/30/45/62/453304562.db2.gz LJVSICRFQHTQMA-ALKREAHSSA-N 2 0 331.460 1.468 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000653120612 453311181 /nfs/dbraw/zinc/31/11/81/453311181.db2.gz VAYPBKPISNMFTM-MWDXBVQZSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000651194770 453347135 /nfs/dbraw/zinc/34/71/35/453347135.db2.gz QCZHGWHUMYKXBW-KRWDZBQOSA-N 2 0 341.544 1.290 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000664719123 453347666 /nfs/dbraw/zinc/34/76/66/453347666.db2.gz NWTVLKUWKNKTNE-AWEZNQCLSA-N 2 0 336.484 1.443 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCOc4ccccc43)C2)nn1 ZINC000667040495 453357450 /nfs/dbraw/zinc/35/74/50/453357450.db2.gz UVWWVPKMIOHOJL-GOEBONIOSA-N 2 0 327.432 1.940 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192201 453382148 /nfs/dbraw/zinc/38/21/48/453382148.db2.gz ITRCBHQWEPOMQI-BDXSIMOUSA-N 2 0 331.460 1.301 20 0 EDADRP Cn1ncc(C2CC2)c1CNC[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000656710350 453385320 /nfs/dbraw/zinc/38/53/20/453385320.db2.gz IVSMDOXMRISWNE-QGZVFWFLSA-N 2 0 328.460 1.880 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000658779719 453386609 /nfs/dbraw/zinc/38/66/09/453386609.db2.gz VXECWAODABKEMP-AWEZNQCLSA-N 2 0 329.404 1.182 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])cc1 ZINC000662673518 453388221 /nfs/dbraw/zinc/38/82/21/453388221.db2.gz MKFFYYZLRLJTTQ-IAGOWNOFSA-N 2 0 335.448 1.710 20 0 EDADRP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@@H+]1CCCC[C@H]1C ZINC000662679498 453399876 /nfs/dbraw/zinc/39/98/76/453399876.db2.gz PEYJKQIXGMZFMK-KGLIPLIRSA-N 2 0 334.468 1.195 20 0 EDADRP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@@H+]1CCCC[C@@H]1C ZINC000662679499 453399897 /nfs/dbraw/zinc/39/98/97/453399897.db2.gz PEYJKQIXGMZFMK-UONOGXRCSA-N 2 0 334.468 1.195 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)ccc1OCC[NH+](C)C ZINC000662693917 453414255 /nfs/dbraw/zinc/41/42/55/453414255.db2.gz VFJJKJVBMKDZIK-KRWDZBQOSA-N 2 0 349.475 1.640 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000662699385 453419474 /nfs/dbraw/zinc/41/94/74/453419474.db2.gz QDVMLOISKKZFLA-BMFZPTHFSA-N 2 0 337.489 1.440 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000667148568 453439408 /nfs/dbraw/zinc/43/94/08/453439408.db2.gz CKUYLWRIJJHBLX-MGPQQGTHSA-N 2 0 326.404 1.777 20 0 EDADRP Cc1cc(NC(=O)NC[C@H]2CCCC[NH2+]2)n(C2CC[NH+](C)CC2)n1 ZINC000667176513 453453691 /nfs/dbraw/zinc/45/36/91/453453691.db2.gz OWQYLJJCOITZLJ-CQSZACIVSA-N 2 0 334.468 1.722 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662750864 453485297 /nfs/dbraw/zinc/48/52/97/453485297.db2.gz UYZIQLOMYBXCNF-NXHRZFHOSA-N 2 0 331.460 1.473 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654667 453489770 /nfs/dbraw/zinc/48/97/70/453489770.db2.gz HRMKZCRVHGOLFG-UYAOXDASSA-N 2 0 348.487 1.990 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660653297 453490817 /nfs/dbraw/zinc/49/08/17/453490817.db2.gz ALKQEBAVDMLGKH-UYAOXDASSA-N 2 0 348.487 1.990 20 0 EDADRP [NH3+][C@H]1C[C@H](C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000662755395 453491765 /nfs/dbraw/zinc/49/17/65/453491765.db2.gz APBPLLMKHGEXHM-WGSAOQKQSA-N 2 0 344.503 1.438 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662786889 453520494 /nfs/dbraw/zinc/52/04/94/453520494.db2.gz ZNEIALAHNFUZQP-ROUUACIJSA-N 2 0 347.459 1.093 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662793411 453528435 /nfs/dbraw/zinc/52/84/35/453528435.db2.gz GZSGPGKJPJWFKT-GOEBONIOSA-N 2 0 332.448 1.698 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000655443495 453530017 /nfs/dbraw/zinc/53/00/17/453530017.db2.gz WGQDHDAPJDBJPT-QAPCUYQASA-N 2 0 331.464 1.868 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1c1cccc(F)c1 ZINC000662817218 453548951 /nfs/dbraw/zinc/54/89/51/453548951.db2.gz RPWORRBEAAKYKZ-GZBFAFLISA-N 2 0 345.340 1.621 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000660740632 453557463 /nfs/dbraw/zinc/55/74/63/453557463.db2.gz RIZXJJFNRGYUGM-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662831844 453558759 /nfs/dbraw/zinc/55/87/59/453558759.db2.gz CTISFIGRWOXEFC-MLHJIOFPSA-N 2 0 335.492 1.620 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662857313 453572974 /nfs/dbraw/zinc/57/29/74/453572974.db2.gz LCLULOSMYGBWBF-OAHLLOKOSA-N 2 0 326.872 1.340 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000662875180 453583878 /nfs/dbraw/zinc/58/38/78/453583878.db2.gz GGHAYVMJQLRPRZ-UHFFFAOYSA-N 2 0 328.460 1.148 20 0 EDADRP CN(C(=O)[C@H]([NH3+])Cc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900445 453594220 /nfs/dbraw/zinc/59/42/20/453594220.db2.gz LPRXQXVFUGOXMU-RBUKOAKNSA-N 2 0 344.503 1.183 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C2)C1 ZINC000659041909 453595968 /nfs/dbraw/zinc/59/59/68/453595968.db2.gz JVFBCRXZMMUYPE-IEBWSBKVSA-N 2 0 344.459 1.907 20 0 EDADRP C[C@H](NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000660853217 453609756 /nfs/dbraw/zinc/60/97/56/453609756.db2.gz SBIYBTZEZNPAHL-YOEHRIQHSA-N 2 0 338.496 1.269 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cnc(C)nc2C)CC1 ZINC000665287637 453637041 /nfs/dbraw/zinc/63/70/41/453637041.db2.gz QQOFVSMBTWEWHB-AWEZNQCLSA-N 2 0 333.480 1.735 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000659302612 453708204 /nfs/dbraw/zinc/70/82/04/453708204.db2.gz AZMFANNSTGKKCY-CEXWTWQISA-N 2 0 347.503 1.937 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659369815 453730481 /nfs/dbraw/zinc/73/04/81/453730481.db2.gz UNGUMXVIOYHFHD-ZWKOTPCHSA-N 2 0 325.412 1.856 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H]1CCCNC1=O)C1CC[NH+](C)CC1 ZINC000657284851 453758290 /nfs/dbraw/zinc/75/82/90/453758290.db2.gz WQNPZQGXBHKBLN-QGZVFWFLSA-N 2 0 344.503 1.833 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657308532 453763237 /nfs/dbraw/zinc/76/32/37/453763237.db2.gz UOHGGJRDEOTGDQ-UHFFFAOYSA-N 2 0 347.429 1.946 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)N1CC[NH+](C)CC1 ZINC000657348963 453771529 /nfs/dbraw/zinc/77/15/29/453771529.db2.gz NIEOKXDRZCTAEM-VQIMIIECSA-N 2 0 333.476 1.580 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1c2ccccc2C[C@H]1O ZINC000665637917 453778062 /nfs/dbraw/zinc/77/80/62/453778062.db2.gz SRMLAMXFLUUFFP-QGTPRVQTSA-N 2 0 348.491 1.216 20 0 EDADRP CC(CC[NH+]1CCc2c[nH]nc2C1)CC[N@@H+]1CCc2c[nH]nc2C1 ZINC000663371572 453782076 /nfs/dbraw/zinc/78/20/76/453782076.db2.gz GEEKHJQSAHLBCP-UHFFFAOYSA-N 2 0 328.464 1.966 20 0 EDADRP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(OC)c(OC)cc23)CC1 ZINC000663396686 453788885 /nfs/dbraw/zinc/78/88/85/453788885.db2.gz HJWVEPDBZLVFTQ-UHFFFAOYSA-N 2 0 344.459 1.723 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000663448902 453801140 /nfs/dbraw/zinc/80/11/40/453801140.db2.gz MDOGEIHRWKQEIZ-BZSNNMDCSA-N 2 0 348.491 1.168 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCOC3(C[NH2+]C3)C2)cc1)C(C)C ZINC000663488243 453808315 /nfs/dbraw/zinc/80/83/15/453808315.db2.gz QYVUVQCRWGPVBD-UHFFFAOYSA-N 2 0 331.460 1.731 20 0 EDADRP CC1(C(=O)N2CCOC3(C[NH2+]C3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000663491600 453809569 /nfs/dbraw/zinc/80/95/69/453809569.db2.gz HTMWCTXQQPRQTL-UHFFFAOYSA-N 2 0 343.471 1.490 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)c1C ZINC000663503982 453811479 /nfs/dbraw/zinc/81/14/79/453811479.db2.gz OQJOPUIWDDDWRE-UHFFFAOYSA-N 2 0 335.496 1.600 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CC[NH2+]1 ZINC000663512507 453813404 /nfs/dbraw/zinc/81/34/04/453813404.db2.gz NUMUHUPWEHETJE-BRWVUGGUSA-N 3 0 346.523 1.387 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C3CC(NS(C)(=O)=O)C3)CC2)C1 ZINC000670271383 486776071 /nfs/dbraw/zinc/77/60/71/486776071.db2.gz MAFBVZOUYARCMD-YJNKEBTESA-N 2 0 343.537 1.699 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417734274 486810138 /nfs/dbraw/zinc/81/01/38/486810138.db2.gz JQLKMSNHIAKUCX-IRXDYDNUSA-N 2 0 330.476 1.655 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672822760 486811764 /nfs/dbraw/zinc/81/17/64/486811764.db2.gz HPZJHSJMUWDYEY-UHFFFAOYSA-N 2 0 342.528 1.597 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC(C)([NH3+])CC2)ccc1C[NH+](C)C ZINC000667515263 486816077 /nfs/dbraw/zinc/81/60/77/486816077.db2.gz JABJANBWQAHZJT-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP Cn1ncc(C2CC2)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000667562295 486848011 /nfs/dbraw/zinc/84/80/11/486848011.db2.gz YVJWQBWAFHNHGC-UHFFFAOYSA-N 2 0 333.480 1.187 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000683910690 486862946 /nfs/dbraw/zinc/86/29/46/486862946.db2.gz KXNMYDBXFLQARX-PKOBYXMFSA-N 2 0 333.476 1.595 20 0 EDADRP CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000673034174 486888460 /nfs/dbraw/zinc/88/84/60/486888460.db2.gz GNSZDGUANBIIPQ-HOTGVXAUSA-N 2 0 342.528 1.124 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000430896096 486897239 /nfs/dbraw/zinc/89/72/39/486897239.db2.gz WGANXUGKHOHRJF-ZWKOTPCHSA-N 2 0 331.460 1.387 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCO1 ZINC000667662027 486903393 /nfs/dbraw/zinc/90/33/93/486903393.db2.gz DHJAFCDXHVQXOF-VUCTXSBTSA-N 2 0 332.448 1.815 20 0 EDADRP CO[C@@H]1CC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000667680294 486910908 /nfs/dbraw/zinc/91/09/08/486910908.db2.gz CGDJJGLZNKXKBS-FUHWJXTLSA-N 2 0 346.475 1.525 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)Nc3cccc(C[NH3+])c3)CC2)c1 ZINC000667729365 486936843 /nfs/dbraw/zinc/93/68/43/486936843.db2.gz DSOVPRKLCBWJNE-UHFFFAOYSA-N 2 0 341.415 1.903 20 0 EDADRP CC[NH+]1CCN(c2nc(N3CC[N@@H+](CC)[C@H](C)C3)ncc2C)C[C@H]1C ZINC000677153819 486987689 /nfs/dbraw/zinc/98/76/89/486987689.db2.gz WIPKSKOGYACEAC-IAGOWNOFSA-N 2 0 346.523 1.846 20 0 EDADRP CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684420076 487055498 /nfs/dbraw/zinc/05/54/98/487055498.db2.gz HZXDENYUFNSQHX-SFHVURJKSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CCO1 ZINC000668164949 487125821 /nfs/dbraw/zinc/12/58/21/487125821.db2.gz WSVDAVITGVGYPM-XQQFMLRXSA-N 2 0 326.466 1.108 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC([NH+](C)C)CC1 ZINC000673872936 487143459 /nfs/dbraw/zinc/14/34/59/487143459.db2.gz SEKUYPZVGIRQGG-UHFFFAOYSA-N 2 0 347.463 1.405 20 0 EDADRP C[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000674287882 487228763 /nfs/dbraw/zinc/22/87/63/487228763.db2.gz PHSLRYUTJDVKGA-KRWDZBQOSA-N 2 0 332.492 1.213 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000674326442 487238058 /nfs/dbraw/zinc/23/80/58/487238058.db2.gz BQRIDTLCELIHSY-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000675741871 487440714 /nfs/dbraw/zinc/44/07/14/487440714.db2.gz IUWIJBAPWAKTDX-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000676045473 487468195 /nfs/dbraw/zinc/46/81/95/487468195.db2.gz IVFIQZLPLDRNQQ-DJIMGWMZSA-N 2 0 333.480 1.282 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cccn3C3CC[NH2+]CC3)sc2C1 ZINC000669518681 485483376 /nfs/dbraw/zinc/48/33/76/485483376.db2.gz MKYNHWZUBWGJBD-NSHDSACASA-N 2 0 345.472 1.937 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000669521664 485490945 /nfs/dbraw/zinc/49/09/45/485490945.db2.gz DVQWTFZNPDWAIC-NJAFHUGGSA-N 2 0 346.475 1.327 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669552150 485547230 /nfs/dbraw/zinc/54/72/30/485547230.db2.gz ABRUSAAWUVUPBZ-HNNXBMFYSA-N 2 0 334.464 1.350 20 0 EDADRP C[C@@H](NC(=O)NC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669554650 485554312 /nfs/dbraw/zinc/55/43/12/485554312.db2.gz IKRZXJFSGVJHKZ-NVXWUHKLSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000669574529 485612860 /nfs/dbraw/zinc/61/28/60/485612860.db2.gz ZSLYAZNZAFOPJH-SJORKVTESA-N 2 0 335.492 1.514 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1 ZINC000669586766 485637389 /nfs/dbraw/zinc/63/73/89/485637389.db2.gz SXNMFPYTBCIWNR-RTRPANQVSA-N 2 0 334.464 1.891 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000345354320 485973076 /nfs/dbraw/zinc/97/30/76/485973076.db2.gz LNPGMWBQGXHSQX-KURKYZTESA-N 2 0 337.508 1.676 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1cccc(F)c1 ZINC000668654318 485999905 /nfs/dbraw/zinc/99/99/05/485999905.db2.gz HZPAMVLEVNWUCI-RRQGHBQHSA-N 2 0 334.439 1.822 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1Br ZINC000422934909 486010435 /nfs/dbraw/zinc/01/04/35/486010435.db2.gz GRLQBEIFFPIWDJ-OBJOEFQTSA-N 2 0 343.265 1.906 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000672844050 486038873 /nfs/dbraw/zinc/03/88/73/486038873.db2.gz SRHDEQCIXLITBV-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669458576 486213513 /nfs/dbraw/zinc/21/35/13/486213513.db2.gz GXJFCCASXTZYHO-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342098629 490996225 /nfs/dbraw/zinc/99/62/25/490996225.db2.gz ILAOJTFGJLLREP-UKTARXLSSA-N 2 0 348.422 1.922 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cc2)[nH]1 ZINC000621656028 491003475 /nfs/dbraw/zinc/00/34/75/491003475.db2.gz FPYRJUXTIMEWHT-LBPRGKRZSA-N 2 0 328.420 1.649 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[N@H+](C)C1CC1 ZINC000171645743 533941004 /nfs/dbraw/zinc/94/10/04/533941004.db2.gz WEVOVRUPKJYZSS-HNNXBMFYSA-N 2 0 345.491 1.828 20 0 EDADRP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000154932658 534046800 /nfs/dbraw/zinc/04/68/00/534046800.db2.gz HOMXSTQJRRNEAI-HOTGVXAUSA-N 2 0 348.491 1.872 20 0 EDADRP C[C@H](O)CC[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000173818153 534061808 /nfs/dbraw/zinc/06/18/08/534061808.db2.gz GORSECCNKYWDLN-INIZCTEOSA-N 2 0 333.476 1.601 20 0 EDADRP CC[N@@H+]1CC[C@@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000158461057 527801519 /nfs/dbraw/zinc/80/15/19/527801519.db2.gz KMFPHCPPAPDKFB-SJLPKXTDSA-N 2 0 331.508 1.653 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCCC[NH2+]2)c1 ZINC000164758870 528135675 /nfs/dbraw/zinc/13/56/75/528135675.db2.gz PTQCMZKYBVGMET-QGZVFWFLSA-N 2 0 346.475 1.839 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N(C)CC[NH+](C)C)c1 ZINC000154759080 528195960 /nfs/dbraw/zinc/19/59/60/528195960.db2.gz UVURUCGWTUGLBS-UHFFFAOYSA-N 2 0 334.464 1.487 20 0 EDADRP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)c2O1 ZINC000261623651 534953444 /nfs/dbraw/zinc/95/34/44/534953444.db2.gz GKIYDXVDFAUZLL-INIZCTEOSA-N 2 0 331.460 1.687 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262707994 536547511 /nfs/dbraw/zinc/54/75/11/536547511.db2.gz DSANCOMVYFJXDB-MRXNPFEDSA-N 2 0 349.479 1.038 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1)C(C)C ZINC000339614166 535065897 /nfs/dbraw/zinc/06/58/97/535065897.db2.gz SKRKYMRXISJIRX-UHFFFAOYSA-N 2 0 340.512 1.164 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC000333378210 535214320 /nfs/dbraw/zinc/21/43/20/535214320.db2.gz NGCZRNDRCZLSNJ-ZACQAIPSSA-N 2 0 338.496 1.148 20 0 EDADRP CC1(C)CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262019766 535335262 /nfs/dbraw/zinc/33/52/62/535335262.db2.gz AFFVYOYBXKCJLR-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP CC[C@@H](C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1)[NH+](C)C ZINC000332222202 535433195 /nfs/dbraw/zinc/43/31/95/535433195.db2.gz KRXMICXKWMURAX-KRWDZBQOSA-N 2 0 346.475 1.743 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)C[C@@H]2COCC[NH2+]2)cc1 ZINC000262539925 535554485 /nfs/dbraw/zinc/55/44/85/535554485.db2.gz NCEOBAQFHYZRNS-MRXNPFEDSA-N 2 0 335.448 1.724 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262392566 535772357 /nfs/dbraw/zinc/77/23/57/535772357.db2.gz OKFGDGCANCOBKB-MOPGFXCFSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]([NH3+])C(C)(C)C)nc2)CC1 ZINC000262632149 536114305 /nfs/dbraw/zinc/11/43/05/536114305.db2.gz FQYAXWDHIOOIHA-MRXNPFEDSA-N 2 0 333.480 1.924 20 0 EDADRP C[NH+](C)[C@@H](CNc1cc(NC[C@H](C2CC2)[NH+](C)C)ncn1)C1CC1 ZINC000123863031 536132565 /nfs/dbraw/zinc/13/25/65/536132565.db2.gz OSEJGCOYGLDQMQ-IYBDPMFKSA-N 2 0 332.496 1.981 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])CC2)CC1 ZINC000263051239 536339841 /nfs/dbraw/zinc/33/98/41/536339841.db2.gz UPOONIANRYVTDY-PKOBYXMFSA-N 2 0 336.524 1.569 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[N@H+](C)C2CC2)CCC[NH+]1C ZINC000347445952 536380408 /nfs/dbraw/zinc/38/04/08/536380408.db2.gz GSLBOIFASUADDA-WMLDXEAASA-N 2 0 348.495 1.196 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000345666398 536779347 /nfs/dbraw/zinc/77/93/47/536779347.db2.gz NIGJYNPCDHIYNW-HOTGVXAUSA-N 2 0 328.501 1.466 20 0 EDADRP COCC1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]CC1 ZINC000262440872 536814118 /nfs/dbraw/zinc/81/41/18/536814118.db2.gz YDWPGROXVQEMME-INIZCTEOSA-N 2 0 337.439 1.561 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCCn1ccnc1C ZINC000725896867 578301798 /nfs/dbraw/zinc/30/17/98/578301798.db2.gz RCBXPVKJCHFVLR-GOSISDBHSA-N 2 0 349.523 1.846 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCCOCC[NH+](C)C ZINC000788020608 578551865 /nfs/dbraw/zinc/55/18/65/578551865.db2.gz ZYOWJSLRNTVNOV-UHFFFAOYSA-N 2 0 336.480 1.468 20 0 EDADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000728913414 578554204 /nfs/dbraw/zinc/55/42/04/578554204.db2.gz BMGFDPKQWMDLPZ-HZPDHXFCSA-N 2 0 344.459 1.003 20 0 EDADRP Cc1ccc(/C=C\S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000729267830 578562775 /nfs/dbraw/zinc/56/27/75/578562775.db2.gz QJUUUUMCUFZWRD-GDNBJRDFSA-N 2 0 339.505 1.721 20 0 EDADRP C[C@H](CNC(=S)NCC1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000760476815 580031579 /nfs/dbraw/zinc/03/15/79/580031579.db2.gz JMYPCRRNLVGEHL-OAHLLOKOSA-N 2 0 326.554 1.913 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734269064 578805780 /nfs/dbraw/zinc/80/57/80/578805780.db2.gz DKHKFVAGBNFQSG-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(C3CCOCC3)C2=O)CC1 ZINC000747530356 579647630 /nfs/dbraw/zinc/64/76/30/579647630.db2.gz ZEJLFLBPTAYJEU-SFHVURJKSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)CC[NH+](C)C)cc2)CC1 ZINC000750584305 579772196 /nfs/dbraw/zinc/77/21/96/579772196.db2.gz ODMPFKVGVYHWBG-UHFFFAOYSA-N 2 0 333.480 1.854 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125437 579943999 /nfs/dbraw/zinc/94/39/99/579943999.db2.gz CRUPRTCAEBOULI-SWHYSGLUSA-N 2 0 326.824 1.684 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000758494155 579984080 /nfs/dbraw/zinc/98/40/80/579984080.db2.gz OVBYMUGWGJIGJQ-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763028581 580090339 /nfs/dbraw/zinc/09/03/39/580090339.db2.gz AFYJLVHWZHJWDG-IRXDYDNUSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766120632 580159682 /nfs/dbraw/zinc/15/96/82/580159682.db2.gz ACCJKDPGVMAJPW-PKOBYXMFSA-N 2 0 347.503 1.322 20 0 EDADRP CCOC(=O)N1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769935336 580248934 /nfs/dbraw/zinc/24/89/34/580248934.db2.gz NNQHTWPNFNJAJM-INIZCTEOSA-N 2 0 335.448 1.947 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@@H](CO)C3CC3)CC2)cc1 ZINC000771820442 580295551 /nfs/dbraw/zinc/29/55/51/580295551.db2.gz REPDTHAQWIMOAF-IBGZPJMESA-N 2 0 345.487 1.390 20 0 EDADRP C[C@@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCOCC[NH+](C)C ZINC000774376730 580360835 /nfs/dbraw/zinc/36/08/35/580360835.db2.gz MNDASPXIUYEXEY-LBPRGKRZSA-N 2 0 328.844 1.620 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891816265 590633928 /nfs/dbraw/zinc/63/39/28/590633928.db2.gz UIHDXHATWMEHEZ-UHFFFAOYSA-N 2 0 348.491 1.638 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CCS(=O)CC2)(N2CCCCC2)CC1 ZINC000893066975 590644957 /nfs/dbraw/zinc/64/49/57/590644957.db2.gz CCIFNAIDNUEZOO-UHFFFAOYSA-N 2 0 327.538 1.437 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000891875230 590665166 /nfs/dbraw/zinc/66/51/66/590665166.db2.gz UEGBFFPFQADQJT-SCTDSRPQSA-N 2 0 330.476 1.935 20 0 EDADRP CN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@H+](C)C1 ZINC000891883492 590669205 /nfs/dbraw/zinc/66/92/05/590669205.db2.gz XOJMYMJNVPVTJT-SFHVURJKSA-N 2 0 330.476 1.780 20 0 EDADRP CSC1(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[NH+](C)CC1 ZINC000891907317 590681231 /nfs/dbraw/zinc/68/12/31/590681231.db2.gz RQTWVXUDWCSEBZ-QDMKHBRRSA-N 2 0 340.537 1.644 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@H]2C)CC1 ZINC000893237202 590726865 /nfs/dbraw/zinc/72/68/65/590726865.db2.gz FWASMWWMPSZDNO-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP COCCC1(NC(=O)N[C@H](C[NH3+])C2CCCCC2)CC[NH2+]CC1 ZINC000892008288 590740043 /nfs/dbraw/zinc/74/00/43/590740043.db2.gz UIQDOSCEWKCZJS-OAHLLOKOSA-N 2 0 326.485 1.352 20 0 EDADRP CC(C)([NH3+])CNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000892033749 590762203 /nfs/dbraw/zinc/76/22/03/590762203.db2.gz HETKQSPRDRPXQP-QFBILLFUSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)CCN1c1cc[nH+]cc1 ZINC000892056303 590776374 /nfs/dbraw/zinc/77/63/74/590776374.db2.gz AUXBZHVHZZBSJC-OAHLLOKOSA-N 2 0 331.464 1.691 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000892163565 590834458 /nfs/dbraw/zinc/83/44/58/590834458.db2.gz QIKSHHGIJLQNHS-AEFFLSMTSA-N 2 0 346.475 1.883 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892188247 590854585 /nfs/dbraw/zinc/85/45/85/590854585.db2.gz KMYYKVLZOJUNNO-LXPRWKDFSA-N 2 0 330.476 1.873 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000892236882 590880173 /nfs/dbraw/zinc/88/01/73/590880173.db2.gz UGBZPKNTZLMKNO-TZMCWYRMSA-N 2 0 349.504 1.686 20 0 EDADRP CN1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC[N@H+](C)CC1 ZINC000888986687 590957990 /nfs/dbraw/zinc/95/79/90/590957990.db2.gz QJGSDQMTPIOSIJ-UHFFFAOYSA-N 2 0 344.503 1.141 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892344413 590972973 /nfs/dbraw/zinc/97/29/73/590972973.db2.gz RLYUYUCFECRZNQ-HNNXBMFYSA-N 2 0 330.476 1.816 20 0 EDADRP CN(C(=O)NCc1cccc2c1CC[NH2+]C2)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892344635 590972992 /nfs/dbraw/zinc/97/29/92/590972992.db2.gz ZVEZSDILXVSZBC-KRWDZBQOSA-N 2 0 328.460 1.710 20 0 EDADRP C[C@@H]1C[C@@H](N2CCOCC2)CN1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384129 591004245 /nfs/dbraw/zinc/00/42/45/591004245.db2.gz OZKKYISETVZWLJ-BZUAXINKSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000892410388 591016812 /nfs/dbraw/zinc/01/68/12/591016812.db2.gz APIDYDFDOGKXEF-HUUCEWRRSA-N 2 0 340.418 1.491 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000892410596 591016930 /nfs/dbraw/zinc/01/69/30/591016930.db2.gz LQUJTEKRPKIIRQ-PKOBYXMFSA-N 2 0 330.476 1.732 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CC[C@H]1C(F)(F)F ZINC000892453092 591033043 /nfs/dbraw/zinc/03/30/43/591033043.db2.gz IIUKBWSXOBVXTQ-WDBLDGLGSA-N 2 0 334.386 1.521 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000893661446 591038017 /nfs/dbraw/zinc/03/80/17/591038017.db2.gz LBQXNRWVVMIWSH-BZUAXINKSA-N 2 0 329.460 1.236 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000892487278 591044744 /nfs/dbraw/zinc/04/47/44/591044744.db2.gz WRZQBODMSTUZQR-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000891366768 591062980 /nfs/dbraw/zinc/06/29/80/591062980.db2.gz ZMNFWIAPNCJDDS-CQSZACIVSA-N 2 0 328.460 1.616 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891443146 591074216 /nfs/dbraw/zinc/07/42/16/591074216.db2.gz BLNPPKJNGDGIMQ-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000892595626 591086101 /nfs/dbraw/zinc/08/61/01/591086101.db2.gz IWVFOHPYLRENDY-NRSFXHEJSA-N 2 0 334.508 1.890 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000891513916 591100656 /nfs/dbraw/zinc/10/06/56/591100656.db2.gz JSKPDBPEJFYVIA-KSSFIOAISA-N 2 0 346.475 1.834 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)C[C@H]2C1 ZINC000891522070 591105659 /nfs/dbraw/zinc/10/56/59/591105659.db2.gz WIERJVOJXUUHND-XHSDSOJGSA-N 2 0 332.448 1.620 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000891526921 591107528 /nfs/dbraw/zinc/10/75/28/591107528.db2.gz GCZKNRFWPNODBO-QAPCUYQASA-N 2 0 339.528 1.029 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000891542605 591115653 /nfs/dbraw/zinc/11/56/53/591115653.db2.gz WTZDXSZGYBAZDO-RDJZCZTQSA-N 2 0 346.475 1.792 20 0 EDADRP CC(C)(C)OC(=O)N[C@H]1C[C@@H](C[NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000892669833 591120408 /nfs/dbraw/zinc/12/04/08/591120408.db2.gz KVWUASWCVUVTIF-GASCZTMLSA-N 2 0 341.496 1.726 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000891558955 591125072 /nfs/dbraw/zinc/12/50/72/591125072.db2.gz BQNRQWLCOMEGLM-QAPCUYQASA-N 2 0 344.459 1.588 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891570934 591130713 /nfs/dbraw/zinc/13/07/13/591130713.db2.gz VTVXPFHKPDPONU-JLSDUUJJSA-N 2 0 328.460 1.968 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000891576092 591132367 /nfs/dbraw/zinc/13/23/67/591132367.db2.gz QVKGBRAJIYXNAJ-NXVRBGIVSA-N 2 0 336.480 1.153 20 0 EDADRP CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@H]1CCC[N@H+](C)C1 ZINC000893913038 591135770 /nfs/dbraw/zinc/13/57/70/591135770.db2.gz AQEFVJBWBVUTKR-INIZCTEOSA-N 2 0 349.479 1.258 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891634130 591159819 /nfs/dbraw/zinc/15/98/19/591159819.db2.gz MHGUBECGPNXDQU-WKILWMFISA-N 2 0 340.512 1.693 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892754795 591160580 /nfs/dbraw/zinc/16/05/80/591160580.db2.gz BZOIITYBDAHNNQ-HUUCEWRRSA-N 2 0 338.496 1.317 20 0 EDADRP Cn1ccnc1CNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892764573 591165936 /nfs/dbraw/zinc/16/59/36/591165936.db2.gz JLHGEMZLMLPJRY-CVEARBPZSA-N 2 0 327.432 1.565 20 0 EDADRP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000892763351 591167396 /nfs/dbraw/zinc/16/73/96/591167396.db2.gz KUGFYEHOXMWURW-OAHLLOKOSA-N 2 0 342.528 1.905 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892774670 591172470 /nfs/dbraw/zinc/17/24/70/591172470.db2.gz UFYQHODFSRKZTG-HOTGVXAUSA-N 2 0 338.496 1.128 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000891661817 591173674 /nfs/dbraw/zinc/17/36/74/591173674.db2.gz WXPRLGVODVZTHP-WKILWMFISA-N 2 0 338.496 1.306 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672712 591178391 /nfs/dbraw/zinc/17/83/91/591178391.db2.gz CGACFQPVPZZBGZ-JKSUJKDBSA-N 2 0 338.496 1.319 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000892789882 591179899 /nfs/dbraw/zinc/17/98/99/591179899.db2.gz UXSQAVBSNZAPTL-QYZOEREBSA-N 2 0 342.487 1.732 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892798739 591180998 /nfs/dbraw/zinc/18/09/98/591180998.db2.gz ITWPNPKHGQHYOU-GOSISDBHSA-N 2 0 330.476 1.828 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)ccn1 ZINC000891725034 591200572 /nfs/dbraw/zinc/20/05/72/591200572.db2.gz DKBHMWSDZRJNNQ-CRAIPNDOSA-N 2 0 347.463 1.106 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892882687 591214078 /nfs/dbraw/zinc/21/40/78/591214078.db2.gz OWYYFQDDMBAQIE-UHFFFAOYSA-N 2 0 337.493 1.542 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000891766087 591216738 /nfs/dbraw/zinc/21/67/38/591216738.db2.gz RBJRFMIFWCZUJS-KSSFIOAISA-N 2 0 328.460 1.651 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000891766088 591216877 /nfs/dbraw/zinc/21/68/77/591216877.db2.gz RBJRFMIFWCZUJS-RDTXWAMCSA-N 2 0 328.460 1.651 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([N@H+](C)CCCO)CC2)CC1 ZINC000892923819 591226599 /nfs/dbraw/zinc/22/65/99/591226599.db2.gz NBMFTDZTESCTAU-UHFFFAOYSA-N 2 0 326.485 1.088 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000892944347 591234660 /nfs/dbraw/zinc/23/46/60/591234660.db2.gz PAMCAPCLKMTUNP-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232082 591238424 /nfs/dbraw/zinc/23/84/24/591238424.db2.gz BTGXNPJQJGPHCB-OQIJWPOYSA-N 2 0 342.487 1.710 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000895666856 591247325 /nfs/dbraw/zinc/24/73/25/591247325.db2.gz STOQJBSRKXHVJX-JKSUJKDBSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)(C)OC(=O)N1CC(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000894261413 591253853 /nfs/dbraw/zinc/25/38/53/591253853.db2.gz SYOWALMAFRBBAU-MRXNPFEDSA-N 2 0 341.496 1.680 20 0 EDADRP C[C@@H]1CSCCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000893021716 591257716 /nfs/dbraw/zinc/25/77/16/591257716.db2.gz GRNRPCPDPCFJLQ-CABCVRRESA-N 2 0 340.537 1.692 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000895781447 591274000 /nfs/dbraw/zinc/27/40/00/591274000.db2.gz TYULQLNTFUUJHM-JTDSTZFVSA-N 2 0 349.519 1.961 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000894346231 591285259 /nfs/dbraw/zinc/28/52/59/591285259.db2.gz STPGMAVUNWPYIL-ZWKOTPCHSA-N 2 0 330.476 1.636 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cs1 ZINC000894375024 591294409 /nfs/dbraw/zinc/29/44/09/591294409.db2.gz IUSRJEXHHMCOOS-UHFFFAOYSA-N 2 0 325.478 1.652 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895957253 591312708 /nfs/dbraw/zinc/31/27/08/591312708.db2.gz ZDQOOHDWZQZGNC-GOSISDBHSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000894451650 591315604 /nfs/dbraw/zinc/31/56/04/591315604.db2.gz QVUDFRPGLTVCQJ-UHFFFAOYSA-N 2 0 346.475 1.601 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896037602 591328274 /nfs/dbraw/zinc/32/82/74/591328274.db2.gz YQEHWJGDYNVZRU-GOSISDBHSA-N 2 0 331.460 1.427 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000894815337 591427753 /nfs/dbraw/zinc/42/77/53/591427753.db2.gz KWGOPEGNEFGRMF-YESZJQIVSA-N 2 0 338.496 1.101 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)C1 ZINC000897482569 591488537 /nfs/dbraw/zinc/48/85/37/591488537.db2.gz BNKPNOQZVIKPEJ-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CC[NH+](C)CC1 ZINC000894954229 591499377 /nfs/dbraw/zinc/49/93/77/591499377.db2.gz KRSHEZFXVKBHGE-GOEBONIOSA-N 2 0 340.537 1.407 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894989765 591509139 /nfs/dbraw/zinc/50/91/39/591509139.db2.gz MIENCRGHTHWPAA-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897530771 591534615 /nfs/dbraw/zinc/53/46/15/591534615.db2.gz OOZAMTIRUWMZNS-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP CCO[C@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)C[NH+](C)C ZINC000896684039 591574048 /nfs/dbraw/zinc/57/40/48/591574048.db2.gz XZBLCDRYPLUSKA-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000897598577 591577105 /nfs/dbraw/zinc/57/71/05/591577105.db2.gz ZUEVJOJPIUKZHX-RTBURBONSA-N 2 0 344.503 1.433 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000889770489 591618595 /nfs/dbraw/zinc/61/85/95/591618595.db2.gz SXTIDXBSIMFMIV-SJORKVTESA-N 2 0 325.497 1.556 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000788017797 591670403 /nfs/dbraw/zinc/67/04/03/591670403.db2.gz MHYLGKBZXBNZLY-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCOC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC000899157156 591711211 /nfs/dbraw/zinc/71/12/11/591711211.db2.gz GKNKZWGVBISHQU-GVDBMIGSSA-N 2 0 337.508 1.534 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC[NH+]2CCC(O)CC2)[C@@H]1c1ccccc1 ZINC000897920334 591721884 /nfs/dbraw/zinc/72/18/84/591721884.db2.gz WPCDQZIZSRMKRS-ROUUACIJSA-N 2 0 331.460 1.252 20 0 EDADRP C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1c1cc[nH+]cc1 ZINC000899204811 591729004 /nfs/dbraw/zinc/72/90/04/591729004.db2.gz GQPUJCJGEWYIIU-HNNXBMFYSA-N 2 0 344.459 1.230 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)Cc1ccccc1 ZINC000900013996 591867467 /nfs/dbraw/zinc/86/74/67/591867467.db2.gz UIVBLYVYRYFOIJ-PKOBYXMFSA-N 2 0 333.476 1.122 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C[C@@H]([C@@H]4CCCO4)CC3=O)C2)CC1 ZINC000902201302 591944606 /nfs/dbraw/zinc/94/46/06/591944606.db2.gz LUNDUULRTCKBIW-SQNIBIBYSA-N 2 0 335.492 1.635 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)[C@@H]1CCc2cncn2C1 ZINC000899808742 591945789 /nfs/dbraw/zinc/94/57/89/591945789.db2.gz IRMARDWALQXFIZ-HUUCEWRRSA-N 2 0 325.416 1.578 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900218233 591947324 /nfs/dbraw/zinc/94/73/24/591947324.db2.gz JDSHTTXMTRMJRS-UIBIWLFHSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@](O)(C[NH2+]CCCC[NH+]1CCOCC1)C(F)(F)C(F)(F)F ZINC000899870252 591966842 /nfs/dbraw/zinc/96/68/42/591966842.db2.gz GWLBDCARYARLNN-NSHDSACASA-N 2 0 334.329 1.637 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900273861 591975850 /nfs/dbraw/zinc/97/58/50/591975850.db2.gz FRGPXRKXXAWLSW-UHFFFAOYSA-N 2 0 349.519 1.868 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900339891 591988783 /nfs/dbraw/zinc/98/87/83/591988783.db2.gz SPPXEIZTLIMDPQ-QAPCUYQASA-N 3 0 343.475 1.789 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900339110 591989024 /nfs/dbraw/zinc/98/90/24/591989024.db2.gz LJQXKGYWBLWTNR-QAPCUYQASA-N 2 0 325.497 1.460 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000902514480 592008800 /nfs/dbraw/zinc/00/88/00/592008800.db2.gz NYFFPRKFPXHJDB-OAHLLOKOSA-N 2 0 341.477 1.434 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccn2nccc2n1 ZINC000900480136 592030077 /nfs/dbraw/zinc/03/00/77/592030077.db2.gz CNMGSBSESATWMN-HNNXBMFYSA-N 2 0 344.463 1.217 20 0 EDADRP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000903267242 592148885 /nfs/dbraw/zinc/14/88/85/592148885.db2.gz CBVIAHUHZNOVOW-NUEKZKHPSA-N 2 0 341.496 1.941 20 0 EDADRP Cn1nnnc1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000903348493 592156588 /nfs/dbraw/zinc/15/65/88/592156588.db2.gz DVSPHHMJLPSVPZ-NNZMDNLPSA-N 2 0 340.475 1.928 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[C@H](O)C[NH+]1C ZINC000900896267 592160127 /nfs/dbraw/zinc/16/01/27/592160127.db2.gz UWAMUYKRFFOPMV-CMKODMSKSA-N 2 0 345.487 1.422 20 0 EDADRP Cc1cccc(NC(=O)CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1C ZINC000903441586 592170341 /nfs/dbraw/zinc/17/03/41/592170341.db2.gz ZQGWUQUIHWODMX-MSOLQXFVSA-N 2 0 344.503 1.987 20 0 EDADRP C[NH2+]C[C@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903421661 592170440 /nfs/dbraw/zinc/17/04/40/592170440.db2.gz QNCDCAALYQDBDB-OAHLLOKOSA-N 2 0 345.443 1.231 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900973126 592182201 /nfs/dbraw/zinc/18/22/01/592182201.db2.gz FZYXCWAMSLFUCI-LBKNJMOBSA-N 2 0 345.487 1.611 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H]1CCc3ccccc3NC1=O)C2 ZINC000903492667 592185710 /nfs/dbraw/zinc/18/57/10/592185710.db2.gz IUMNZALMFIHZQJ-ZDXGLAPJSA-N 2 0 343.427 1.152 20 0 EDADRP COc1ccc(CCNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1OC ZINC000903494683 592186897 /nfs/dbraw/zinc/18/68/97/592186897.db2.gz KPQZZUXOLAKBAL-GDBMZVCRSA-N 2 0 349.475 1.279 20 0 EDADRP C[N@H+](CC(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1)C1CCC1 ZINC000901067651 592222791 /nfs/dbraw/zinc/22/27/91/592222791.db2.gz MUKPLZQKBKYLBK-SFHVURJKSA-N 2 0 331.460 1.006 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000906652595 592235496 /nfs/dbraw/zinc/23/54/96/592235496.db2.gz NPKLVIHQXQADOD-OAHLLOKOSA-N 2 0 330.432 1.171 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000904354134 592237633 /nfs/dbraw/zinc/23/76/33/592237633.db2.gz AZUMFWXOXMWEPQ-UHFFFAOYSA-N 2 0 328.416 1.783 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376954 592244947 /nfs/dbraw/zinc/24/49/47/592244947.db2.gz ZEZHJRBYBAMSGY-BPQIPLTHSA-N 2 0 348.491 1.550 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H]([NH3+])CCC(C)(C)C)CC1 ZINC000904379765 592246283 /nfs/dbraw/zinc/24/62/83/592246283.db2.gz WHBAXEGROGJMSR-OAHLLOKOSA-N 3 0 326.529 1.720 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665556 592248453 /nfs/dbraw/zinc/24/84/53/592248453.db2.gz ZECRFUQGLGDOII-BBRMVZONSA-N 2 0 346.475 1.618 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2n(n1)CCCC2=O ZINC000906670926 592252665 /nfs/dbraw/zinc/25/26/65/592252665.db2.gz MOQXTOSUHQEGQX-UHFFFAOYSA-N 2 0 349.479 1.205 20 0 EDADRP C[N@@H+]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CCC1(C)C ZINC000906680224 592261371 /nfs/dbraw/zinc/26/13/71/592261371.db2.gz LLFHHLZIDRDNOH-UHFFFAOYSA-N 2 0 346.475 1.762 20 0 EDADRP C[C@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469010 592267875 /nfs/dbraw/zinc/26/78/75/592267875.db2.gz HXIHMAMCTLBHLN-FUHWJXTLSA-N 2 0 340.475 1.913 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)C[C@]2(C)C1 ZINC000904524314 592278566 /nfs/dbraw/zinc/27/85/66/592278566.db2.gz MQCGQZCGAYLJDV-SUMDDJOVSA-N 2 0 344.459 1.763 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]4CC[C@]43C[NH3+])cn2)CC1 ZINC000904530830 592280065 /nfs/dbraw/zinc/28/00/65/592280065.db2.gz PIESUUVIICUCAQ-GUYCJALGSA-N 2 0 332.452 1.495 20 0 EDADRP CC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)C[C@H]1COc2ccccc2O1 ZINC000903717438 592280445 /nfs/dbraw/zinc/28/04/45/592280445.db2.gz AKJSZTOCAVAART-BXWFABGCSA-N 2 0 332.444 1.917 20 0 EDADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732460 592287876 /nfs/dbraw/zinc/28/78/76/592287876.db2.gz DWFJNRUHSNTCPN-GPMSIDNRSA-N 2 0 341.459 1.677 20 0 EDADRP c1cncc(CN2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903751969 592295814 /nfs/dbraw/zinc/29/58/14/592295814.db2.gz JYYZIISHFWFQQO-SFHVURJKSA-N 2 0 330.476 1.358 20 0 EDADRP O[C@H](CN1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739637 592301150 /nfs/dbraw/zinc/30/11/50/592301150.db2.gz NFEAXEOERJLDHX-XUVXKRRUSA-N 2 0 345.487 1.106 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000906740338 592305285 /nfs/dbraw/zinc/30/52/85/592305285.db2.gz HVPBHZAWGGUIIT-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[C@H](c2nc(-c3cc(N4CC[NH+](C)CC4)ccn3)no2)CC[NH2+]1 ZINC000904674636 592310655 /nfs/dbraw/zinc/31/06/55/592310655.db2.gz ZTJKLYPLFSBJOE-ZIAGYGMSSA-N 2 0 342.447 1.739 20 0 EDADRP c1c([C@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770153 592310793 /nfs/dbraw/zinc/31/07/93/592310793.db2.gz TUEDYWLKAHDWBN-SJORKVTESA-N 3 0 346.523 1.388 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C(C)(C)C[NH3+])CC2)CC1 ZINC000903790645 592315861 /nfs/dbraw/zinc/31/58/61/592315861.db2.gz TZFVWONNTOPRBJ-UHFFFAOYSA-N 3 0 338.540 1.672 20 0 EDADRP COc1ccccc1N1CCC[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903829589 592334970 /nfs/dbraw/zinc/33/49/70/592334970.db2.gz IBNWTSADIOXECZ-FXAWDEMLSA-N 2 0 345.487 1.976 20 0 EDADRP FC(F)(F)c1ccnc([C@H]2CC[N@H+](C[C@H]3CC4(C[NH2+]C4)CO3)C2)n1 ZINC000903825903 592335403 /nfs/dbraw/zinc/33/54/03/592335403.db2.gz DORCEWPZUHPIFS-NWDGAFQWSA-N 2 0 342.365 1.663 20 0 EDADRP CCCCNC(=O)[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888868 592351531 /nfs/dbraw/zinc/35/15/31/592351531.db2.gz LYQAHYQKKUSWIC-SJORKVTESA-N 2 0 349.523 1.474 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908156534 592352333 /nfs/dbraw/zinc/35/23/33/592352333.db2.gz QKWNGLVLCZKWRY-GOSISDBHSA-N 2 0 325.497 1.558 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)C1 ZINC000906806117 592353727 /nfs/dbraw/zinc/35/37/27/592353727.db2.gz IGSUCJZEZQTPAZ-LSDHHAIUSA-N 2 0 338.521 1.744 20 0 EDADRP CCCn1cc(C[N@@H+]2CCCN(C[C@@H]([NH3+])CC(F)F)CC2)cn1 ZINC000903892869 592366755 /nfs/dbraw/zinc/36/67/55/592366755.db2.gz NXEBYDOPLMWEJH-HNNXBMFYSA-N 2 0 329.439 1.783 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908188835 592367427 /nfs/dbraw/zinc/36/74/27/592367427.db2.gz DSUXJGCCEYGZFJ-MKCYZYCBSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCc3ccccc3[C@H]2CO)cnn1C ZINC000903895594 592368089 /nfs/dbraw/zinc/36/80/89/592368089.db2.gz OQJRKCQKFNEEJV-DNVCBOLYSA-N 2 0 328.460 1.438 20 0 EDADRP CC(=O)N(C[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915448 592370183 /nfs/dbraw/zinc/37/01/83/592370183.db2.gz YSDFXFYRMRJLSP-APWZRJJASA-N 2 0 347.507 1.321 20 0 EDADRP O=C(c1ccccc1O)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904249 592372114 /nfs/dbraw/zinc/37/21/14/592372114.db2.gz SNAYCOCUZHSONQ-MQVJKMGUSA-N 2 0 329.444 1.681 20 0 EDADRP Cn1ccnc1C[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC12CC[NH2+]CC2 ZINC000903905918 592372835 /nfs/dbraw/zinc/37/28/35/592372835.db2.gz PUZOATYUSAJBML-HQSKLWIPSA-N 3 0 343.519 1.895 20 0 EDADRP O=C(NC1CC1)c1noc([C@H]2CCC[N@@H+]2CC2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000903913548 592376042 /nfs/dbraw/zinc/37/60/42/592376042.db2.gz DVVCKJBPYPTGIF-CHEQUFIKSA-N 2 0 345.447 1.629 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905051987 592380237 /nfs/dbraw/zinc/38/02/37/592380237.db2.gz YHUWHSKEOXKHEY-RBUKOAKNSA-N 2 0 336.476 1.519 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cnn1C ZINC000903934185 592386639 /nfs/dbraw/zinc/38/66/39/592386639.db2.gz DCYOYJRZJPDQSP-BPLDGKMQSA-N 2 0 347.429 1.305 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000903973491 592397390 /nfs/dbraw/zinc/39/73/90/592397390.db2.gz DXJNPUMWZRZVMU-QLFBSQMISA-N 2 0 329.444 1.896 20 0 EDADRP CCn1nc(C)c(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c1C ZINC000903980036 592400274 /nfs/dbraw/zinc/40/02/74/592400274.db2.gz DHOQOWRKYLKJKF-HDICACEKSA-N 2 0 331.508 1.920 20 0 EDADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@@H](O)C3(O)CCC3)CC2)cc1 ZINC000905073963 592403667 /nfs/dbraw/zinc/40/36/67/592403667.db2.gz XCFQVHXTJFDSKZ-LJQANCHMSA-N 2 0 348.487 1.773 20 0 EDADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)C3(O)CCOCC3)CC2)CC1 ZINC000905179174 592441063 /nfs/dbraw/zinc/44/10/63/592441063.db2.gz HHYKJBIMPLUQGM-ABHNRTSZSA-N 2 0 340.508 1.522 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)CC1(O)CCCC1 ZINC000905175097 592454398 /nfs/dbraw/zinc/45/43/98/592454398.db2.gz MQEQRZBUYJKMFP-BBWFWOEESA-N 2 0 326.481 1.010 20 0 EDADRP O[C@H](CCC1(O)CCC1)C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000905178178 592456497 /nfs/dbraw/zinc/45/64/97/592456497.db2.gz ZXXGCNPVBJFXIK-IXDOHACOSA-N 2 0 326.481 1.010 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H](O)C[C@@H](O)c2ccccc2)CCCO1 ZINC000905230961 592459339 /nfs/dbraw/zinc/45/93/39/592459339.db2.gz HQCSVVYOXYBYRI-NZSAHSFTSA-N 2 0 336.476 1.562 20 0 EDADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000908328377 592462457 /nfs/dbraw/zinc/46/24/57/592462457.db2.gz HNMWZRGWVLYEHP-OAHLLOKOSA-N 2 0 332.448 1.763 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C[C@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318143 592476112 /nfs/dbraw/zinc/47/61/12/592476112.db2.gz MQLHTUNNYCPLMZ-RBUKOAKNSA-N 2 0 338.540 1.103 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905347712 592501951 /nfs/dbraw/zinc/50/19/51/592501951.db2.gz BHYHINNHTXYXSK-IAGOWNOFSA-N 2 0 328.497 1.259 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000905343558 592512629 /nfs/dbraw/zinc/51/26/29/592512629.db2.gz JTQXRXZOYHIBQR-JKSUJKDBSA-N 2 0 329.510 1.027 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502906 592546217 /nfs/dbraw/zinc/54/62/17/592546217.db2.gz LWWOQGYUOZKPMJ-PNKHAZJDSA-N 2 0 328.497 1.232 20 0 EDADRP C[C@@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000907286460 592584480 /nfs/dbraw/zinc/58/44/80/592584480.db2.gz QLRQTWBYZRFIGU-HZPDHXFCSA-N 2 0 336.524 1.249 20 0 EDADRP CC1(C)CC[N@H+](CCNC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000905675905 592608995 /nfs/dbraw/zinc/60/89/95/592608995.db2.gz AAHWMCIZWAXZMS-FQEVSTJZSA-N 2 0 331.504 1.945 20 0 EDADRP CN(C)C(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1 ZINC000905700794 592614522 /nfs/dbraw/zinc/61/45/22/592614522.db2.gz RTKMULRKWSBLNW-CALCHBBNSA-N 2 0 343.475 1.188 20 0 EDADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000905709890 592619398 /nfs/dbraw/zinc/61/93/98/592619398.db2.gz PULBRTBCFJLNKX-IXDOHACOSA-N 2 0 344.459 1.462 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CN1C(=O)N[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1=O ZINC000905734901 592632036 /nfs/dbraw/zinc/63/20/36/592632036.db2.gz XWYSBIXQFTULPV-SIXWZSSISA-N 2 0 342.443 1.038 20 0 EDADRP C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000907446818 592659457 /nfs/dbraw/zinc/65/94/57/592659457.db2.gz KUKOXFJHQAMZQT-SNRMKQJTSA-N 2 0 333.476 1.641 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[S@](=O)C(F)(F)F)CC1 ZINC000905932694 592687333 /nfs/dbraw/zinc/68/73/33/592687333.db2.gz NXKJIQDBEUGERS-MQJDWESPSA-N 2 0 330.416 1.280 20 0 EDADRP CC(C)CN1CCO[C@H](C[NH2+]C[C@H](O)CC2(CO)CCCC2)C1 ZINC000905937863 592689380 /nfs/dbraw/zinc/68/93/80/592689380.db2.gz NMFSSRMRDBSRRJ-IAGOWNOFSA-N 2 0 328.497 1.237 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)cc1 ZINC000907554058 592704805 /nfs/dbraw/zinc/70/48/05/592704805.db2.gz JEEHTVKJUHTKFT-DOTOQJQBSA-N 2 0 337.489 1.320 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000910283824 592821266 /nfs/dbraw/zinc/82/12/66/592821266.db2.gz WYAKRSVFJLNACN-PXNSSMCTSA-N 2 0 345.487 1.566 20 0 EDADRP CCn1ccnc1[C@@H]1CCCCN1C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907937613 592849821 /nfs/dbraw/zinc/84/98/21/592849821.db2.gz FTTSVMKTRVIGEC-MAUKXSAKSA-N 2 0 334.464 1.803 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N(C)C(C)(C)C[NH+]2CCCC2)CC1 ZINC000910936898 592902251 /nfs/dbraw/zinc/90/22/51/592902251.db2.gz ZZZZQXANOMYGEE-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000911720901 592988037 /nfs/dbraw/zinc/98/80/37/592988037.db2.gz KDIVOWXFZORXKS-NLZINVLXSA-N 2 0 331.460 1.980 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)C1 ZINC000911733964 592992404 /nfs/dbraw/zinc/99/24/04/592992404.db2.gz GNDNPEXGLWSIGU-JSGCOSHPSA-N 2 0 340.265 1.516 20 0 EDADRP C[C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CC[NH2+]1 ZINC000911744476 592995624 /nfs/dbraw/zinc/99/56/24/592995624.db2.gz JWNUJXKMTUYONW-CKEIUWERSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H]1C[C@H](C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)CC[NH2+]1 ZINC000911752349 592997403 /nfs/dbraw/zinc/99/74/03/592997403.db2.gz VVRAYEFXYZHCFR-KFWWJZLASA-N 2 0 345.443 1.922 20 0 EDADRP [NH3+]Cc1ccc2nc(C(=O)NCC[NH2+]C3CCCCCC3)cn2c1 ZINC000911840445 593021477 /nfs/dbraw/zinc/02/14/77/593021477.db2.gz LEHKPHMAKCQPSB-UHFFFAOYSA-N 2 0 329.448 1.835 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CCO1 ZINC000911881407 593030161 /nfs/dbraw/zinc/03/01/61/593030161.db2.gz RAXKMNJYYNFWBC-ONIAQPFYSA-N 2 0 331.460 1.329 20 0 EDADRP NCc1ncc(C(=O)NCC2(N3CCOCC3)CCCCC2)s1 ZINC000912029128 593049671 /nfs/dbraw/zinc/04/96/71/593049671.db2.gz JKSKVFGMDHNSEX-UHFFFAOYSA-N 2 0 338.477 1.367 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000817901008 593646983 /nfs/dbraw/zinc/64/69/83/593646983.db2.gz YKIUQDDADSNJIH-NEPJUHHUSA-N 2 0 343.415 1.421 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC3(CC2)OCCO3)CC[NH2+]CC1 ZINC000817914628 593648240 /nfs/dbraw/zinc/64/82/40/593648240.db2.gz VZLWDTWIWFEOBI-AWEZNQCLSA-N 2 0 340.464 1.583 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)c1ccc(S(C)(=O)=O)cc1)C1=CC[N@H+](C)CC1 ZINC000819219675 593744888 /nfs/dbraw/zinc/74/48/88/593744888.db2.gz FOMQTYPJPLSKLG-GUYCJALGSA-N 2 0 338.473 1.364 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000819635516 593761954 /nfs/dbraw/zinc/76/19/54/593761954.db2.gz VFBZWMXFLHPNKK-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821587361 593870874 /nfs/dbraw/zinc/87/08/74/593870874.db2.gz UAWGTRBCQVZALR-UHFFFAOYSA-N 2 0 335.481 1.044 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Cc1ccc2cccnc2c1 ZINC000824431139 594010071 /nfs/dbraw/zinc/01/00/71/594010071.db2.gz ATWBLIZIYAXAFQ-UHFFFAOYSA-N 2 0 328.460 1.777 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H](C)[NH+](C)C)C2)ccn1 ZINC000824797643 594076625 /nfs/dbraw/zinc/07/66/25/594076625.db2.gz NLKGDMTZFKDKAE-RHSMWYFYSA-N 2 0 334.464 1.463 20 0 EDADRP COC[C@@]1(c2nc(-c3ccccc3OCC[NH+](C)C)no2)CC[NH2+]C1 ZINC000822807890 594103762 /nfs/dbraw/zinc/10/37/62/594103762.db2.gz JWXRLOOXGLWRRA-GOSISDBHSA-N 2 0 346.431 1.555 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@@H](C)[C@@H](C)[NH3+])n3)cn2)CC1 ZINC000822956864 594128493 /nfs/dbraw/zinc/12/84/93/594128493.db2.gz PWJZQOCWICISOE-QWHCGFSZSA-N 2 0 330.436 1.724 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009038 594313816 /nfs/dbraw/zinc/31/38/16/594313816.db2.gz ODQVUQGFJREXHX-LJQANCHMSA-N 2 0 343.427 1.632 20 0 EDADRP O=C(N1CCC[N@H+](CCCc2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000828217938 594367313 /nfs/dbraw/zinc/36/73/13/594367313.db2.gz RUEZNNKHWGQDSJ-IBGZPJMESA-N 2 0 333.451 1.855 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)c1ccc2c[nH+]cn2c1 ZINC000829236170 594586035 /nfs/dbraw/zinc/58/60/35/594586035.db2.gz RBEMVNLBZKWOJX-UHFFFAOYSA-N 2 0 328.416 1.519 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c1 ZINC000832603746 594763243 /nfs/dbraw/zinc/76/32/43/594763243.db2.gz MJSJHYLNQMQTKV-OAHLLOKOSA-N 2 0 329.404 1.397 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000841017928 594839604 /nfs/dbraw/zinc/83/96/04/594839604.db2.gz LKRWJLDFVCAGOK-QAPCUYQASA-N 2 0 345.491 1.948 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCCCC1 ZINC000841021086 594840801 /nfs/dbraw/zinc/84/08/01/594840801.db2.gz ZGFVNKJXUVZBRJ-ZDUSSCGKSA-N 2 0 330.432 1.219 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000841100400 594850780 /nfs/dbraw/zinc/85/07/80/594850780.db2.gz XOVMZKYBZQQRAD-IEBWSBKVSA-N 2 0 347.459 1.269 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000841100087 594850838 /nfs/dbraw/zinc/85/08/38/594850838.db2.gz TZLVUWUWEWGILI-PKOBYXMFSA-N 2 0 341.459 1.986 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000841790560 594953528 /nfs/dbraw/zinc/95/35/28/594953528.db2.gz FZNKPXQALZBCLE-RRQGHBQHSA-N 2 0 332.448 1.369 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841845939 594963748 /nfs/dbraw/zinc/96/37/48/594963748.db2.gz CDMMLZBNNCVNSW-ZDUSSCGKSA-N 2 0 333.432 1.922 20 0 EDADRP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932921 594984803 /nfs/dbraw/zinc/98/48/03/594984803.db2.gz ZAIMNVNJZWQFLY-QAPCUYQASA-N 2 0 346.475 1.192 20 0 EDADRP COC(=O)c1ccc2c(c1)nc(C[N@H+](C)C1CCC([NH3+])CC1)[nH]c2=O ZINC000843354890 595085274 /nfs/dbraw/zinc/08/52/74/595085274.db2.gz JIFSDNUVACXIJI-UHFFFAOYSA-N 2 0 344.415 1.824 20 0 EDADRP CC(=O)Nc1ccc2c(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000843364406 595088686 /nfs/dbraw/zinc/08/86/86/595088686.db2.gz IAOYPFNOCBLAKI-AAEUAGOBSA-N 2 0 329.400 1.921 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc2c1CCCC2 ZINC000842480770 595117070 /nfs/dbraw/zinc/11/70/70/595117070.db2.gz CKLODGUKUALAIJ-UHFFFAOYSA-N 2 0 325.478 1.254 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC[C@H]1c1ccc(F)cc1 ZINC000842513333 595124760 /nfs/dbraw/zinc/12/47/60/595124760.db2.gz BHFGVEYKHFIJEF-DZGCQCFKSA-N 2 0 343.406 1.152 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000843073644 595281295 /nfs/dbraw/zinc/28/12/95/595281295.db2.gz SDHWBLVJPNWEPC-XJKSGUPXSA-N 2 0 328.403 1.825 20 0 EDADRP [NH3+]C1CCC([NH2+]Cc2ccccc2OCC(=O)NCC2CC2)CC1 ZINC000843105571 595288136 /nfs/dbraw/zinc/28/81/36/595288136.db2.gz WXGCYMCFXVTUSP-UHFFFAOYSA-N 2 0 331.460 1.951 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000844172287 595290913 /nfs/dbraw/zinc/29/09/13/595290913.db2.gz STIPIMGWMXUSKI-GOSISDBHSA-N 2 0 331.460 1.320 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000844180231 595294175 /nfs/dbraw/zinc/29/41/75/595294175.db2.gz PVZNCOYTOGDDLF-QGZVFWFLSA-N 2 0 349.500 1.943 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844184350 595295696 /nfs/dbraw/zinc/29/56/96/595295696.db2.gz JWSBCKWXCPNKOR-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)[C@@H](C)CCO)cc2)CC1 ZINC000844445690 595344225 /nfs/dbraw/zinc/34/42/25/595344225.db2.gz DDRWATVLEQZUDN-INIZCTEOSA-N 2 0 348.491 1.470 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000848393928 595372987 /nfs/dbraw/zinc/37/29/87/595372987.db2.gz DCTNBJPCEIJRIS-UHFFFAOYSA-N 2 0 331.416 1.676 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000848393821 595373011 /nfs/dbraw/zinc/37/30/11/595373011.db2.gz CFNJOXDDFMMHCZ-CQSZACIVSA-N 2 0 331.416 1.676 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000847409294 595413550 /nfs/dbraw/zinc/41/35/50/595413550.db2.gz SCIUECLBYCIGDB-ROUUACIJSA-N 2 0 331.460 1.384 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1NCCC[N@H+](CC)C1CCCCC1 ZINC000844922635 595414784 /nfs/dbraw/zinc/41/47/84/595414784.db2.gz OPLKMZKNPWNSKZ-IAGOWNOFSA-N 2 0 325.497 1.914 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@@]34CCC[NH2+]C4)n2)ccn1 ZINC000848622898 595418709 /nfs/dbraw/zinc/41/87/09/595418709.db2.gz BYOQCBPRBDJETF-KBXCAEBGSA-N 2 0 343.431 1.929 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000847452642 595422816 /nfs/dbraw/zinc/42/28/16/595422816.db2.gz ONWLKDIVRWSKOX-OALUTQOASA-N 2 0 345.487 1.462 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(F)c1 ZINC000849059804 595476778 /nfs/dbraw/zinc/47/67/78/595476778.db2.gz OQFNRUASVIORNX-GJZGRUSLSA-N 2 0 338.427 1.164 20 0 EDADRP CCOCCCNC(=[NH2+])NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000849073140 595478454 /nfs/dbraw/zinc/47/84/54/595478454.db2.gz MPRSYMGVOTYMLI-UHFFFAOYSA-N 3 0 348.495 1.134 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000849349489 595509722 /nfs/dbraw/zinc/50/97/22/595509722.db2.gz AWBQQTPPIZHWMO-KRWDZBQOSA-N 2 0 331.460 1.762 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1[NH2+]CC12CCOCC2)c1ccccc1 ZINC000852774220 595537634 /nfs/dbraw/zinc/53/76/34/595537634.db2.gz QNNNKFCOIKYQCI-MSOLQXFVSA-N 2 0 345.487 1.954 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCCC2)[C@H](c2cnn(C)c2)C1 ZINC000849486026 595547753 /nfs/dbraw/zinc/54/77/53/595547753.db2.gz DOMKBQWYWKPQQF-MSOLQXFVSA-N 2 0 347.507 1.446 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849488477 595549192 /nfs/dbraw/zinc/54/91/92/595549192.db2.gz OQWJPDNAFARXRL-ZWKOTPCHSA-N 2 0 347.507 1.446 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849488472 595549372 /nfs/dbraw/zinc/54/93/72/595549372.db2.gz OQWJPDNAFARXRL-MSOLQXFVSA-N 2 0 347.507 1.446 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000849559313 595567654 /nfs/dbraw/zinc/56/76/54/595567654.db2.gz TUNRUQRJUWSXMR-HUHSQHJXSA-N 2 0 345.491 1.197 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577368 595579500 /nfs/dbraw/zinc/57/95/00/595579500.db2.gz HWNIAZAEQIJSBN-OKZBNKHCSA-N 2 0 347.507 1.444 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH2+]C(C)(C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612371 595596429 /nfs/dbraw/zinc/59/64/29/595596429.db2.gz KNUFQQYYDLETIH-SJORKVTESA-N 2 0 349.523 1.738 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852888415 595600455 /nfs/dbraw/zinc/60/04/55/595600455.db2.gz JVGCEZPALJZMFD-WBVHZDCISA-N 2 0 346.431 1.052 20 0 EDADRP C[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000852895863 595603857 /nfs/dbraw/zinc/60/38/57/595603857.db2.gz LGFNCSRZXPXQPA-JYYAWHABSA-N 2 0 344.459 1.600 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=S)NCC2CC[NH+](C)CC2)CCO1 ZINC000853052019 595650109 /nfs/dbraw/zinc/65/01/09/595650109.db2.gz MDHKELWOGPYYNC-INIZCTEOSA-N 2 0 342.553 1.245 20 0 EDADRP Cn1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(Br)n1 ZINC000858126706 595707086 /nfs/dbraw/zinc/70/70/86/595707086.db2.gz GZKLZTZTXBKESR-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000858149021 595712904 /nfs/dbraw/zinc/71/29/04/595712904.db2.gz VQYQGDSCLMJEQV-UHFFFAOYSA-N 2 0 336.455 1.937 20 0 EDADRP c1cc(C[NH2+]C[C@@H]2COC3(CCOCC3)O2)n(-c2cc[nH+]cc2)n1 ZINC000850238278 595783188 /nfs/dbraw/zinc/78/31/88/595783188.db2.gz CWMIXERHBGTASN-MRXNPFEDSA-N 2 0 330.388 1.279 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnn(-c2ccccc2)n1 ZINC000850354086 595815825 /nfs/dbraw/zinc/81/58/25/595815825.db2.gz VGHNCJNOKGLKJW-INIZCTEOSA-N 2 0 330.480 1.629 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC2(C1)CC[NH2+]CC2 ZINC000851680277 595882334 /nfs/dbraw/zinc/88/23/34/595882334.db2.gz HYAHHRHQLDQPIU-UHFFFAOYSA-N 2 0 334.508 1.894 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000856255014 595936346 /nfs/dbraw/zinc/93/63/46/595936346.db2.gz GUQMLGFPRGVDID-IBGZPJMESA-N 2 0 345.487 1.462 20 0 EDADRP CCOC(=O)N1CCC([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000851956704 595985338 /nfs/dbraw/zinc/98/53/38/595985338.db2.gz ZVYXHIMMNJFGMB-GDBMZVCRSA-N 2 0 329.485 1.534 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C3OCCO3)CC2)CC1 ZINC000114456214 596031448 /nfs/dbraw/zinc/03/14/48/596031448.db2.gz UPHWHMRNWCSAAT-UHFFFAOYSA-N 2 0 339.480 1.060 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)C[C@H](C)[NH3+])cc1F ZINC000861649947 596057243 /nfs/dbraw/zinc/05/72/43/596057243.db2.gz VUSXPBMCUFJYJI-WHOFXGATSA-N 2 0 338.427 1.268 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000861774343 596098499 /nfs/dbraw/zinc/09/84/99/596098499.db2.gz XOQIJAXXYBHQQC-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000866526124 596242349 /nfs/dbraw/zinc/24/23/49/596242349.db2.gz CURJTPRTWZQZKB-RHSMWYFYSA-N 2 0 337.508 1.865 20 0 EDADRP CC(C)(C)[NH+]1CCC(NS(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000866554666 596248854 /nfs/dbraw/zinc/24/88/54/596248854.db2.gz STTMAAVATWZWLN-UHFFFAOYSA-N 2 0 331.526 1.655 20 0 EDADRP CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000866685398 596293995 /nfs/dbraw/zinc/29/39/95/596293995.db2.gz KWBLRSOBSLVILD-HOTGVXAUSA-N 2 0 334.464 1.521 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000870939642 596412710 /nfs/dbraw/zinc/41/27/10/596412710.db2.gz AITQLXZSBBCYSI-OLZOCXBDSA-N 2 0 326.238 1.707 20 0 EDADRP Cc1ccccc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000867588968 596448642 /nfs/dbraw/zinc/44/86/42/596448642.db2.gz KWSDKHDKIKMCPN-HZPDHXFCSA-N 2 0 339.505 1.355 20 0 EDADRP CC[NH2+][C@H](C)c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000863668898 596651590 /nfs/dbraw/zinc/65/15/90/596651590.db2.gz XIKPRBLUXVHCFH-CYBMUJFWSA-N 2 0 330.436 1.944 20 0 EDADRP Cc1nc2sccn2c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016769 596708996 /nfs/dbraw/zinc/70/89/96/596708996.db2.gz YUGXUONBAVAIGI-ZIAGYGMSSA-N 2 0 349.504 1.516 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2[C@@H]3c4ccccc4C[C@H]23)C[C@H]1C[NH+](C)C ZINC000870017681 596709710 /nfs/dbraw/zinc/70/97/10/596709710.db2.gz RDTAGVCUQYFZOC-SCQOQHIRSA-N 2 0 341.499 1.770 20 0 EDADRP CSCC1(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000870018256 596710088 /nfs/dbraw/zinc/71/00/88/596710088.db2.gz YOKSKXLPJIGWEX-HUUCEWRRSA-N 2 0 327.538 1.718 20 0 EDADRP Cc1oc(C(C)C)nc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017998 596710255 /nfs/dbraw/zinc/71/02/55/596710255.db2.gz KAHNETVHVPCSTN-HUUCEWRRSA-N 2 0 336.480 1.918 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2cccnc2Cl)C[C@H]1C[NH+](C)C ZINC000870017975 596710270 /nfs/dbraw/zinc/71/02/70/596710270.db2.gz VTJKHELPIRILMT-HUUCEWRRSA-N 2 0 338.883 1.475 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1N ZINC000868173126 596710637 /nfs/dbraw/zinc/71/06/37/596710637.db2.gz WSBGPCCCIHJXSK-HUUCEWRRSA-N 2 0 333.480 1.780 20 0 EDADRP CO[C@](C)(C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870021525 596712003 /nfs/dbraw/zinc/71/20/03/596712003.db2.gz HLCSZHUUKDNKNI-HLIPFELVSA-N 2 0 347.503 1.746 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)cc3nc[nH]c32)C[C@H]1C[NH+](C)C ZINC000870023123 596713283 /nfs/dbraw/zinc/71/32/83/596713283.db2.gz MIDAOQSJVOZCSP-CHWSQXEVSA-N 2 0 347.438 1.513 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3cn[nH]c32)C[C@H]1C[NH+](C)C ZINC000870024334 596714003 /nfs/dbraw/zinc/71/40/03/596714003.db2.gz YYSLLXVYZSMVIG-HUUCEWRRSA-N 2 0 329.448 1.374 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(c2)OCCO3)C[C@H]1C[NH+](C)C ZINC000870024762 596714580 /nfs/dbraw/zinc/71/45/80/596714580.db2.gz IZBXQTVWSRVVMA-HZPDHXFCSA-N 2 0 347.459 1.269 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000863969240 596737360 /nfs/dbraw/zinc/73/73/60/596737360.db2.gz SOHYKXAHQBSFPZ-HSFUPAIVSA-N 2 0 326.481 1.082 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232183 596738169 /nfs/dbraw/zinc/73/81/69/596738169.db2.gz MRWBBUCIMCXMTH-GLZXHMCRSA-N 2 0 342.443 1.039 20 0 EDADRP Cc1ccn2cc(CNC(=O)N3CC[C@H]4[C@H](CC[N@H+]4C)C3)nc2c1 ZINC000868278256 596760257 /nfs/dbraw/zinc/76/02/57/596760257.db2.gz AJVGIMFLFVTJRL-ZBFHGGJFSA-N 2 0 327.432 1.878 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(Cl)nc2)C[C@H]1C[NH+](C)C ZINC000866040678 596770361 /nfs/dbraw/zinc/77/03/61/596770361.db2.gz DWEVLQKOOCNCFD-CHWSQXEVSA-N 2 0 339.871 1.938 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3nnnn3C)CC2)cc1 ZINC000872146412 596810297 /nfs/dbraw/zinc/81/02/97/596810297.db2.gz NBBNGZNNEGEEKO-OAHLLOKOSA-N 2 0 330.436 1.141 20 0 EDADRP O[C@]1(C[NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CCN(Cc2ccccc2)C1 ZINC000872218985 596840825 /nfs/dbraw/zinc/84/08/25/596840825.db2.gz CGVFDZUGJLCWJT-KYRVCDIISA-N 2 0 328.456 1.636 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000872255310 596856623 /nfs/dbraw/zinc/85/66/23/596856623.db2.gz BBYLVLHSUDVGSH-OKZBNKHCSA-N 2 0 327.428 1.931 20 0 EDADRP C[C@@H](CCc1cccnc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000866373271 596868720 /nfs/dbraw/zinc/86/87/20/596868720.db2.gz MOQSGQJVAVYLDU-SFHVURJKSA-N 2 0 346.519 1.789 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2CN1CCC2(CCCC2)C1=O ZINC000872592905 596980350 /nfs/dbraw/zinc/98/03/50/596980350.db2.gz SBTGTNDPDDYJCW-BRWVUGGUSA-N 2 0 335.492 1.920 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)cc1 ZINC000872664185 597019425 /nfs/dbraw/zinc/01/94/25/597019425.db2.gz QEFKOHHXAHFQBV-SJORKVTESA-N 2 0 337.489 1.605 20 0 EDADRP C[NH+]1CCC(CNC(=O)N2CCC[N@H+](C)CC2)(c2ccccc2)CC1 ZINC000876075871 597080812 /nfs/dbraw/zinc/08/08/12/597080812.db2.gz XNRZQOAEFIZUKE-UHFFFAOYSA-N 2 0 344.503 1.997 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C12CCC[NH+](CCC1)C2 ZINC000874467736 597093012 /nfs/dbraw/zinc/09/30/12/597093012.db2.gz OQCYMUMCSFPWME-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCn3nccc32)C[C@H]1C[NH+](C)C ZINC000876302995 597166000 /nfs/dbraw/zinc/16/60/00/597166000.db2.gz MRMOBHUGWASMFX-BZUAXINKSA-N 2 0 348.495 1.099 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)n1C ZINC000873055370 597173685 /nfs/dbraw/zinc/17/36/85/597173685.db2.gz HYPXTLZQZHMZGA-GASCZTMLSA-N 2 0 337.464 1.791 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000873111030 597199340 /nfs/dbraw/zinc/19/93/40/597199340.db2.gz CESCJEXMUZUZEC-JKSUJKDBSA-N 2 0 330.432 1.040 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1c(C[NH3+])cnn1C)c1ccccc1 ZINC000876503432 597223797 /nfs/dbraw/zinc/22/37/97/597223797.db2.gz JRJWOVYJUGCKCI-MRXNPFEDSA-N 2 0 329.448 1.692 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876521069 597229199 /nfs/dbraw/zinc/22/91/99/597229199.db2.gz RPHFGPUWMJXUHL-GOEBONIOSA-N 2 0 345.443 1.907 20 0 EDADRP c1c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)sc2c1C[NH2+]CC2 ZINC000873213046 597229653 /nfs/dbraw/zinc/22/96/53/597229653.db2.gz VPRGQONJFGNMJX-INIZCTEOSA-N 3 0 335.517 1.984 20 0 EDADRP COC[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)C1CCOCC1 ZINC000873245402 597237857 /nfs/dbraw/zinc/23/78/57/597237857.db2.gz ZWAYXSSZHVHECU-SFHVURJKSA-N 2 0 345.447 1.257 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000875005862 597241366 /nfs/dbraw/zinc/24/13/66/597241366.db2.gz XHJUDQSQYVHXAJ-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000876712369 597299649 /nfs/dbraw/zinc/29/96/49/597299649.db2.gz PQJHWYVBOKMMSK-INIZCTEOSA-N 2 0 333.480 1.720 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876739448 597315899 /nfs/dbraw/zinc/31/58/99/597315899.db2.gz GEIRJSKHVBVJCR-BXUZGUMPSA-N 2 0 340.265 1.907 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876765913 597330493 /nfs/dbraw/zinc/33/04/93/597330493.db2.gz WQIPQMKPBAZJBG-CABCVRRESA-N 2 0 343.512 1.802 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@H](C)C1 ZINC000876765898 597330626 /nfs/dbraw/zinc/33/06/26/597330626.db2.gz WMKJDVDOPZLHGA-ISMNZJHXSA-N 2 0 337.508 1.795 20 0 EDADRP C[C@H](NC(=O)/C=C\[C@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000876773433 597334235 /nfs/dbraw/zinc/33/42/35/597334235.db2.gz QUBWKFPBIRTYFT-QVOWHETESA-N 2 0 335.492 1.692 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)/C=C/[C@H]2CCC[NH2+]C2)CC1 ZINC000876779527 597337781 /nfs/dbraw/zinc/33/77/81/597337781.db2.gz ILAWPVBLTUCLEF-ROJDOSBLSA-N 2 0 328.460 1.933 20 0 EDADRP CN1CCC(CNC(=O)[C@H](F)[C@H]2CC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000876785023 597339412 /nfs/dbraw/zinc/33/94/12/597339412.db2.gz ODYJJFUETVOCLV-JKSUJKDBSA-N 2 0 340.487 1.001 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876850676 597358891 /nfs/dbraw/zinc/35/88/91/597358891.db2.gz ZXURSODPZZQCPI-BBRMVZONSA-N 2 0 343.393 1.803 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000876868888 597363575 /nfs/dbraw/zinc/36/35/75/597363575.db2.gz NEDBUJLGTMIUPN-YESZJQIVSA-N 2 0 345.491 1.578 20 0 EDADRP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876890128 597371431 /nfs/dbraw/zinc/37/14/31/597371431.db2.gz UQHPPXDLHQUTOC-QUCCMNQESA-N 2 0 349.519 1.870 20 0 EDADRP [NH3+]C1(CNC(=O)c2cccnc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000876921963 597386177 /nfs/dbraw/zinc/38/61/77/597386177.db2.gz OCNCXWOXKAIPLY-UHFFFAOYSA-N 2 0 342.418 1.944 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC000876948485 597394176 /nfs/dbraw/zinc/39/41/76/597394176.db2.gz MVPWAZCNGJTXMG-INIZCTEOSA-N 2 0 336.505 1.702 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876955991 597395840 /nfs/dbraw/zinc/39/58/40/597395840.db2.gz DIYIUCCKJXBAKP-HZPDHXFCSA-N 2 0 347.507 1.966 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961780 597397998 /nfs/dbraw/zinc/39/79/98/597397998.db2.gz XASQURFCQMPLMU-GGPKGHCWSA-N 2 0 343.471 1.402 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000876964559 597399314 /nfs/dbraw/zinc/39/93/14/597399314.db2.gz JLSJUHILKONIJO-CFEAODOESA-N 2 0 343.471 1.789 20 0 EDADRP C[NH2+]CCOCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000877023777 597414755 /nfs/dbraw/zinc/41/47/55/597414755.db2.gz FCAWISJPOYCHFO-SFHVURJKSA-N 2 0 345.487 1.641 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877029771 597416701 /nfs/dbraw/zinc/41/67/01/597416701.db2.gz NEVYWZIGRUIOMV-JKSUJKDBSA-N 2 0 339.867 1.337 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877033301 597417405 /nfs/dbraw/zinc/41/74/05/597417405.db2.gz VYCCEWPXITWREN-KVSKMBFKSA-N 2 0 343.471 1.898 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000877032144 597417526 /nfs/dbraw/zinc/41/75/26/597417526.db2.gz ZOSWKTKXENLTCE-SFHVURJKSA-N 2 0 339.524 1.455 20 0 EDADRP CO[C@H]1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875458511 597437196 /nfs/dbraw/zinc/43/71/96/597437196.db2.gz FEZWSWADYSKJQL-HZMVEIRTSA-N 2 0 340.512 1.182 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000877133323 597439800 /nfs/dbraw/zinc/43/98/00/597439800.db2.gz ZSVXYEJUUMBZBY-ZWKOTPCHSA-N 2 0 337.508 1.439 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000877134379 597440177 /nfs/dbraw/zinc/44/01/77/597440177.db2.gz RCTBNPONQVACGZ-LSDHHAIUSA-N 2 0 326.404 1.270 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)CC[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877238976 597474788 /nfs/dbraw/zinc/47/47/88/597474788.db2.gz IQKRTPYFGXUENS-FHLIZLRMSA-N 2 0 331.460 1.728 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877285335 597486905 /nfs/dbraw/zinc/48/69/05/597486905.db2.gz ZLZZZSBKXFLXLI-KZNAEPCWSA-N 2 0 328.460 1.647 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1cccn1C1CC[NH2+]CC1 ZINC000877347713 597498097 /nfs/dbraw/zinc/49/80/97/597498097.db2.gz OPZXUQXXCQRXHI-QGZVFWFLSA-N 2 0 338.455 1.857 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877357262 597500100 /nfs/dbraw/zinc/50/01/00/597500100.db2.gz WONJKIITKQGELE-BNOWGMLFSA-N 2 0 345.365 1.161 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000877448347 597517043 /nfs/dbraw/zinc/51/70/43/597517043.db2.gz DNSYCWLYYDJRFB-CWRNSKLLSA-N 2 0 339.480 1.413 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1cccnc1Br ZINC000877525681 597530684 /nfs/dbraw/zinc/53/06/84/597530684.db2.gz LCLATGSLQSFMNR-UHFFFAOYSA-N 2 0 329.286 1.769 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)nn1 ZINC000877525342 597530723 /nfs/dbraw/zinc/53/07/23/597530723.db2.gz ZXCLCISRJPNYQQ-HNNXBMFYSA-N 2 0 325.888 1.978 20 0 EDADRP C[C@@H](CCc1cccnc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000877548669 597534104 /nfs/dbraw/zinc/53/41/04/597534104.db2.gz QTXCOQIJUDGDIG-KRWDZBQOSA-N 2 0 332.492 1.985 20 0 EDADRP Cc1c(Cl)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C ZINC000877670040 597546545 /nfs/dbraw/zinc/54/65/45/597546545.db2.gz GISWIYVZTCOIPW-ZIAGYGMSSA-N 2 0 327.904 1.553 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cc3c(cn2)OCCO3)C[C@H]1C[NH+](C)C ZINC000877670201 597546583 /nfs/dbraw/zinc/54/65/83/597546583.db2.gz IOBBNWVFPHPVDP-HUUCEWRRSA-N 2 0 334.464 1.024 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)Cc1ccnn1-c1cc[nH+]cc1 ZINC000877767342 597554007 /nfs/dbraw/zinc/55/40/07/597554007.db2.gz ZUEFHOIXEKTHDO-UHFFFAOYSA-N 2 0 341.459 1.812 20 0 EDADRP CCc1nnc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000877952746 597565837 /nfs/dbraw/zinc/56/58/37/597565837.db2.gz WKTCMPBHYMNKIX-VXGBXAGGSA-N 2 0 340.497 1.304 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000878370636 597598068 /nfs/dbraw/zinc/59/80/68/597598068.db2.gz ZEEBWZFIXJBGPD-APWZRJJASA-N 2 0 345.487 1.954 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)CC3(CO)CCCC3)CC2)CC1 ZINC000879594403 597650048 /nfs/dbraw/zinc/65/00/48/597650048.db2.gz HZCFSQSXDLXROE-GOSISDBHSA-N 2 0 339.524 1.002 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H](COC)[C@H]2CCCOC2)CC1 ZINC000883172534 597676854 /nfs/dbraw/zinc/67/68/54/597676854.db2.gz KPDBUZYCPUTYMG-ROUUACIJSA-N 2 0 327.513 1.435 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CCCOC1 ZINC000883191355 597681917 /nfs/dbraw/zinc/68/19/17/597681917.db2.gz ZRSOLKDUYFNAMU-JZXOWHBKSA-N 2 0 326.481 1.519 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883212220 597687160 /nfs/dbraw/zinc/68/71/60/597687160.db2.gz DGLILWPISCFYEQ-RDJZCZTQSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)C[N@H+](C[C@@H](O)COC[C@@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702674 597694790 /nfs/dbraw/zinc/69/47/90/597694790.db2.gz UOTYHNSECOODPA-MOPGFXCFSA-N 2 0 342.524 1.843 20 0 EDADRP C[C@@H]([NH2+][C@H]1C[C@H](S(C)(=O)=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000883374170 597727619 /nfs/dbraw/zinc/72/76/19/597727619.db2.gz RUTADRMIENHXSJ-FRFSOERESA-N 2 0 340.489 1.853 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCCOC(F)(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000883424063 597741822 /nfs/dbraw/zinc/74/18/22/597741822.db2.gz DRQKQPJJBFGLFQ-QWHCGFSZSA-N 2 0 337.386 1.493 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](C[C@H]3CCC4(CCOCC4)O3)C2)C1 ZINC000883434375 597744691 /nfs/dbraw/zinc/74/46/91/597744691.db2.gz PBSKZMMLJRHJOY-TVFCKZIOSA-N 2 0 338.492 1.933 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CC[C@H]2CCCC2(F)F)C1 ZINC000883439632 597747374 /nfs/dbraw/zinc/74/73/74/597747374.db2.gz WNONCXSSDJYMLA-RQJABVFESA-N 2 0 329.391 1.679 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000883572612 597807689 /nfs/dbraw/zinc/80/76/89/597807689.db2.gz LIKDFDJLVYDTBD-JQHSSLGASA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCCCCNC(=O)CC2)CC1 ZINC000879256257 597866670 /nfs/dbraw/zinc/86/66/70/597866670.db2.gz ZFXGHIJFNAFJNJ-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCOC1 ZINC000880467165 597939692 /nfs/dbraw/zinc/93/96/92/597939692.db2.gz XPZMWOMJDUXJBS-NVXWUHKLSA-N 2 0 325.497 1.770 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000884021685 597970059 /nfs/dbraw/zinc/97/00/59/597970059.db2.gz IEIZQCIERGGYSI-MRXNPFEDSA-N 2 0 345.443 1.780 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000884365079 598082222 /nfs/dbraw/zinc/08/22/22/598082222.db2.gz DBVDHGZABPODHG-IJLUTSLNSA-N 2 0 326.238 1.691 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000884430741 598103184 /nfs/dbraw/zinc/10/31/84/598103184.db2.gz ACRMMWWWRUINGB-OLZOCXBDSA-N 2 0 338.249 1.850 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000884432022 598103459 /nfs/dbraw/zinc/10/34/59/598103459.db2.gz PLBHSTRRXMWYFL-OAHLLOKOSA-N 2 0 332.448 1.162 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)N(C)CCCCCC[NH3+])C1 ZINC000884502103 598123408 /nfs/dbraw/zinc/12/34/08/598123408.db2.gz BEGPZLQUQPKAJU-MRXNPFEDSA-N 2 0 340.512 1.201 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000916653504 696710101 /nfs/dbraw/zinc/71/01/01/696710101.db2.gz LBMYIQJAAMCZQU-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995014314 699966964 /nfs/dbraw/zinc/96/69/64/699966964.db2.gz KTOJFYTXWODUGT-CVEARBPZSA-N 2 0 346.475 1.986 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914160493 695171619 /nfs/dbraw/zinc/17/16/19/695171619.db2.gz FFCSOUZULKPIFR-NUEKZKHPSA-N 2 0 338.521 1.350 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243824 695303467 /nfs/dbraw/zinc/30/34/67/695303467.db2.gz UTABGROSJMLNEJ-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)C[NH+](C)C ZINC000914314524 695352051 /nfs/dbraw/zinc/35/20/51/695352051.db2.gz XKPICZQHKJRWCQ-NUJGCVRESA-N 2 0 342.528 1.763 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000995018071 700002658 /nfs/dbraw/zinc/00/26/58/700002658.db2.gz XTDKBJWYJRWXCI-CVEARBPZSA-N 2 0 345.491 1.423 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnsn3)[C@@H]2C1 ZINC000992905099 695440810 /nfs/dbraw/zinc/44/08/10/695440810.db2.gz JBSVSSAAJPLFTN-IMJJTQAJSA-N 2 0 349.504 1.351 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nccs3)[C@H]2C1 ZINC000992907871 695444731 /nfs/dbraw/zinc/44/47/31/695444731.db2.gz OUAUEIHGRNTACO-HRCADAONSA-N 2 0 348.516 1.956 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)o1 ZINC000992912511 695448532 /nfs/dbraw/zinc/44/85/32/695448532.db2.gz CKQDDTYZNUVKGF-RYQLBKOJSA-N 2 0 346.475 1.796 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3CCCOC3)C2)cc1 ZINC001031104542 695527935 /nfs/dbraw/zinc/52/79/35/695527935.db2.gz VDSJETOYHQVICB-INIZCTEOSA-N 2 0 331.460 1.589 20 0 EDADRP C[NH+](C)CCCN(Cc1cccs1)C(=S)NCC[NH+](C)C ZINC000916116720 696622761 /nfs/dbraw/zinc/62/27/61/696622761.db2.gz AQJAQHJBSNYMSW-UHFFFAOYSA-N 2 0 328.551 1.938 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000916117311 696622951 /nfs/dbraw/zinc/62/29/51/696622951.db2.gz LNMAYSSEANURQX-QGZVFWFLSA-N 2 0 333.480 1.858 20 0 EDADRP CC[N@H+](CCNC(=O)NCc1nc(CN(C)C)cs1)C1CC1 ZINC000916117351 696623034 /nfs/dbraw/zinc/62/30/34/696623034.db2.gz MIRCVNVWLCAVFH-UHFFFAOYSA-N 2 0 325.482 1.488 20 0 EDADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000916842799 696797616 /nfs/dbraw/zinc/79/76/16/696797616.db2.gz PRBCGTPXGJVHIW-BRWVUGGUSA-N 2 0 338.496 1.221 20 0 EDADRP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000940008621 700110385 /nfs/dbraw/zinc/11/03/85/700110385.db2.gz WAVPGYFZSMBPJC-QGZVFWFLSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CCCN(Cc2cnn(C)c2)[C@H]1C ZINC000994425955 696848220 /nfs/dbraw/zinc/84/82/20/696848220.db2.gz SIAFMLDZNQAILL-XJKSGUPXSA-N 2 0 330.436 1.094 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000918210187 697142416 /nfs/dbraw/zinc/14/24/16/697142416.db2.gz SGEBAZHLIPHXDS-LSDHHAIUSA-N 2 0 328.526 1.597 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)CC2)[C@@H](C)C1 ZINC000919050631 697236856 /nfs/dbraw/zinc/23/68/56/697236856.db2.gz KOEFXMVBTCPMRH-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2cccc3cccnc32)C1 ZINC001031579684 697275399 /nfs/dbraw/zinc/27/53/99/697275399.db2.gz JVXGOMZQZANIIN-GOSISDBHSA-N 2 0 338.455 1.877 20 0 EDADRP CCc1ccc([C@@H](O)C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031585261 697280952 /nfs/dbraw/zinc/28/09/52/697280952.db2.gz USSHMKDGMWOWNZ-MOPGFXCFSA-N 2 0 345.487 1.425 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920311100 697419390 /nfs/dbraw/zinc/41/93/90/697419390.db2.gz LRMZLMSYRYLRSU-QGZVFWFLSA-N 2 0 334.533 1.718 20 0 EDADRP CCn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)cn1 ZINC001031666847 697451612 /nfs/dbraw/zinc/45/16/12/697451612.db2.gz SCYMYHVKUIRUEX-SFHVURJKSA-N 2 0 347.507 1.366 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)CC[N@@H+]1C ZINC000940120984 700254148 /nfs/dbraw/zinc/25/41/48/700254148.db2.gz WOSMLBWRWIYPON-TZMCWYRMSA-N 2 0 337.493 1.349 20 0 EDADRP O=C(NCC1CN(Cc2cccnc2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001031766667 699064488 /nfs/dbraw/zinc/06/44/88/699064488.db2.gz LKOZKVDZRJKFQG-QZTJIDSGSA-N 2 0 328.460 1.647 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939063223 699106803 /nfs/dbraw/zinc/10/68/03/699106803.db2.gz BYHVEQPNKJSLOT-KSSFIOAISA-N 2 0 347.507 1.278 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939063265 699110521 /nfs/dbraw/zinc/11/05/21/699110521.db2.gz CGOBOIJTJOBPOS-CXAGYDPISA-N 2 0 331.464 1.063 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063619 699130849 /nfs/dbraw/zinc/13/08/49/699130849.db2.gz JCVJFTVHASFHCP-RISCZKNCSA-N 2 0 337.493 1.125 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603757 701593642 /nfs/dbraw/zinc/59/36/42/701593642.db2.gz NZMITYSBXXFTOV-MJGOQNOKSA-N 2 0 348.535 1.632 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939394101 699544368 /nfs/dbraw/zinc/54/43/68/699544368.db2.gz AOZRTWKQQRFOGO-MAUKXSAKSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC000939424528 699574223 /nfs/dbraw/zinc/57/42/23/699574223.db2.gz XQMMRAIMWLGAIK-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP Cc1oncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164877 701604488 /nfs/dbraw/zinc/60/44/88/701604488.db2.gz BSNNYPXXVMRVDW-HOCLYGCPSA-N 2 0 332.448 1.453 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941677099 701615754 /nfs/dbraw/zinc/61/57/54/701615754.db2.gz KTRIDIJUUUKFJY-IRXDYDNUSA-N 2 0 348.535 1.488 20 0 EDADRP CCOc1cccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939754132 699904218 /nfs/dbraw/zinc/90/42/18/699904218.db2.gz LECIRXCESKMHGK-RDJZCZTQSA-N 2 0 346.475 1.513 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939756689 699923074 /nfs/dbraw/zinc/92/30/74/699923074.db2.gz VRTYOJPTKQQXOA-GUYCJALGSA-N 2 0 337.414 1.997 20 0 EDADRP CC(C)(C)CC[NH+]1CC(N2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000941668013 701622113 /nfs/dbraw/zinc/62/21/13/701622113.db2.gz BDUYSBMLONAWKS-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939809927 699958326 /nfs/dbraw/zinc/95/83/26/699958326.db2.gz KNJWRGRYHDQPQN-PBHICJAKSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940149865 700282987 /nfs/dbraw/zinc/28/29/87/700282987.db2.gz PIVXRJYUVKKXRK-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940154291 700284661 /nfs/dbraw/zinc/28/46/61/700284661.db2.gz URWWEFMMBVXEEP-UHFFFAOYSA-N 2 0 347.507 1.684 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)nc1 ZINC000995166639 701627508 /nfs/dbraw/zinc/62/75/08/701627508.db2.gz GLSBHPPSULSXFW-HZPDHXFCSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995166670 701628947 /nfs/dbraw/zinc/62/89/47/701628947.db2.gz GSMNMDOPWWZBTE-GJZGRUSLSA-N 2 0 348.516 1.922 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000940179469 700313129 /nfs/dbraw/zinc/31/31/29/700313129.db2.gz VGCZBSQOOBCOCA-OAHLLOKOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000940327489 700504209 /nfs/dbraw/zinc/50/42/09/700504209.db2.gz FGPNCZTXRLWNPI-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940328098 700505814 /nfs/dbraw/zinc/50/58/14/700505814.db2.gz FNEBXNKJYQLURO-RHSMWYFYSA-N 2 0 347.507 1.397 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940328364 700506476 /nfs/dbraw/zinc/50/64/76/700506476.db2.gz HUHAISUTMRVIGJ-GDBMZVCRSA-N 2 0 348.491 1.905 20 0 EDADRP Cn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000940328926 700507940 /nfs/dbraw/zinc/50/79/40/700507940.db2.gz NUSUHRALRILMMX-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940328942 700508001 /nfs/dbraw/zinc/50/80/01/700508001.db2.gz OCSZDUOAHRTMDX-ZDUSSCGKSA-N 2 0 335.452 1.191 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000940329470 700508770 /nfs/dbraw/zinc/50/87/70/700508770.db2.gz TYDBIXGYIPDTQN-ZBFHGGJFSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168163 701658610 /nfs/dbraw/zinc/65/86/10/701658610.db2.gz MVFUWFHYRYMNTL-GJZGRUSLSA-N 2 0 332.448 1.453 20 0 EDADRP CCn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000995076727 700651999 /nfs/dbraw/zinc/65/19/99/700651999.db2.gz FMKLIXPFYLEDAM-HOCLYGCPSA-N 2 0 348.495 1.014 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995077485 700660623 /nfs/dbraw/zinc/66/06/23/700660623.db2.gz HIOZXQSLQQCSEH-ZBFHGGJFSA-N 2 0 334.464 1.699 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000940461894 700665502 /nfs/dbraw/zinc/66/55/02/700665502.db2.gz QLIDLUXOGDGUAN-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995078541 700670950 /nfs/dbraw/zinc/67/09/50/700670950.db2.gz KLGAJEAPJCYYLG-ZBFHGGJFSA-N 2 0 334.464 1.699 20 0 EDADRP CCn1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081391 700711144 /nfs/dbraw/zinc/71/11/44/700711144.db2.gz UVPRLKIZSIROMZ-GDBMZVCRSA-N 2 0 348.495 1.014 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC000940736784 700877728 /nfs/dbraw/zinc/87/77/28/700877728.db2.gz JQTYJPKXGLIXNA-HZPDHXFCSA-N 2 0 325.497 1.722 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995099857 700886027 /nfs/dbraw/zinc/88/60/27/700886027.db2.gz ARDREPQIESWRRV-HOTGVXAUSA-N 2 0 347.507 1.527 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000940896841 700973411 /nfs/dbraw/zinc/97/34/11/700973411.db2.gz ZJYPMGAJHQJENO-MRXNPFEDSA-N 2 0 330.432 1.547 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940918104 700995705 /nfs/dbraw/zinc/99/57/05/700995705.db2.gz KSYIPBRPRWZVDI-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169202 706597647 /nfs/dbraw/zinc/59/76/47/706597647.db2.gz DNIMTQKNSPGWAB-CVEARBPZSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1nc(CN[C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174051 706605735 /nfs/dbraw/zinc/60/57/35/706605735.db2.gz NTTPLRIJKZTQEG-NVXWUHKLSA-N 2 0 348.516 1.874 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001032128809 701800024 /nfs/dbraw/zinc/80/00/24/701800024.db2.gz KRHCAQWSIHDHIN-SJORKVTESA-N 2 0 333.480 1.052 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001032205849 702108043 /nfs/dbraw/zinc/10/80/43/702108043.db2.gz KIMDYHOTPJRWNL-HNNXBMFYSA-N 2 0 329.435 1.954 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001032206048 702126681 /nfs/dbraw/zinc/12/66/81/702126681.db2.gz QFJCBKQLSKGSEG-LJQANCHMSA-N 2 0 345.487 1.601 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]CCc3cnn(C)c3)C2)CC[N@@H+]1C ZINC000999200032 706643438 /nfs/dbraw/zinc/64/34/38/706643438.db2.gz KYAMLYJMNKWIOM-OKZBNKHCSA-N 2 0 347.507 1.274 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)c1 ZINC001032207436 702190138 /nfs/dbraw/zinc/19/01/38/702190138.db2.gz QZYVQHVECVAWRH-KRWDZBQOSA-N 2 0 345.487 1.836 20 0 EDADRP COc1cccc([C@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186100 702315098 /nfs/dbraw/zinc/31/50/98/702315098.db2.gz IKVSKPIMXADSFJ-YOEHRIQHSA-N 2 0 331.460 1.756 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000995982827 702342333 /nfs/dbraw/zinc/34/23/33/702342333.db2.gz PVGOURSRGFGCJG-IRXDYDNUSA-N 2 0 330.476 1.893 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccs3)C2)CC[N@@H+]1C ZINC000999209228 706662151 /nfs/dbraw/zinc/66/21/51/706662151.db2.gz OYKGCVTVJALDGN-QLFBSQMISA-N 2 0 336.505 1.954 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C)c1cnccn1 ZINC000996220200 702631671 /nfs/dbraw/zinc/63/16/71/702631671.db2.gz DFFHGRHRVKQFRZ-RHSMWYFYSA-N 2 0 345.491 1.706 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996246080 702649639 /nfs/dbraw/zinc/64/96/39/702649639.db2.gz JICCVLNGSWJNQF-DOTOQJQBSA-N 2 0 349.523 1.816 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000996246161 702649868 /nfs/dbraw/zinc/64/98/68/702649868.db2.gz KNQFYRZNKNYZDF-IAGOWNOFSA-N 2 0 349.523 1.375 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996301148 702693143 /nfs/dbraw/zinc/69/31/43/702693143.db2.gz QWCZCELQOPAQTG-RHSMWYFYSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nnc(CN[C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)o1 ZINC000996301490 702693431 /nfs/dbraw/zinc/69/34/31/702693431.db2.gz UFPLUXLZBICNST-OCCSQVGLSA-N 2 0 335.452 1.189 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)ncn1 ZINC000996302225 702694478 /nfs/dbraw/zinc/69/44/78/702694478.db2.gz WZYIVMXBOIQVCD-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302682 702694753 /nfs/dbraw/zinc/69/47/53/702694753.db2.gz YSVQHJLAZCOQSE-DOTOQJQBSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@@H](C)C2)on1 ZINC000942256302 702747509 /nfs/dbraw/zinc/74/75/09/702747509.db2.gz DHVOEGOEBQVWOP-WMLDXEAASA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000942257440 702748268 /nfs/dbraw/zinc/74/82/68/702748268.db2.gz LLADKHPSIPTDRR-RHSMWYFYSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996521468 702857173 /nfs/dbraw/zinc/85/71/73/702857173.db2.gz SFIKPKQCBVYFJK-CQSZACIVSA-N 2 0 349.504 1.269 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)cn1 ZINC000996522687 702858609 /nfs/dbraw/zinc/85/86/09/702858609.db2.gz YLLXGJLNQUHCEU-INIZCTEOSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562761 702876701 /nfs/dbraw/zinc/87/67/01/702876701.db2.gz WYLHNLSLGBMDSL-QGZVFWFLSA-N 2 0 343.475 1.207 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC([NH2+]CC3CCCC3)CC2)n1 ZINC000996580433 702891799 /nfs/dbraw/zinc/89/17/99/702891799.db2.gz MUOOPJFRPMMFGD-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000948439523 702905906 /nfs/dbraw/zinc/90/59/06/702905906.db2.gz QYQNSDYFZRSMHH-AEFFLSMTSA-N 2 0 337.508 1.699 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996614407 702919727 /nfs/dbraw/zinc/91/97/27/702919727.db2.gz NERPOMVAJPRVHL-HOCLYGCPSA-N 2 0 334.439 1.499 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]([NH2+]CC3CC(F)(F)C3)C(C)(C)C2)C1 ZINC000996616785 702923734 /nfs/dbraw/zinc/92/37/34/702923734.db2.gz UISSZDQPXUEBNH-UONOGXRCSA-N 2 0 329.435 1.810 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996661162 702958588 /nfs/dbraw/zinc/95/85/88/702958588.db2.gz LTERGKQPFPSFTF-INIZCTEOSA-N 2 0 331.464 1.432 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000996660886 702962940 /nfs/dbraw/zinc/96/29/40/702962940.db2.gz KANQVXPWGBQGDS-OAHLLOKOSA-N 2 0 334.468 1.068 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1)C1CC1 ZINC000996674226 702969497 /nfs/dbraw/zinc/96/94/97/702969497.db2.gz BEJNIFULYKFONU-IRXDYDNUSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000996676786 702975883 /nfs/dbraw/zinc/97/58/83/702975883.db2.gz PGWIBZHCUVXWCE-JKSUJKDBSA-N 2 0 325.497 1.316 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996678489 702977214 /nfs/dbraw/zinc/97/72/14/702977214.db2.gz NWICCYRYPHINAL-SFHVURJKSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000996678987 702977945 /nfs/dbraw/zinc/97/79/45/702977945.db2.gz PGZXHJVFJGODPL-NHYWBVRUSA-N 2 0 334.468 1.095 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000996689435 702987038 /nfs/dbraw/zinc/98/70/38/702987038.db2.gz DMMMQVSQSSXIOG-KRWDZBQOSA-N 2 0 333.480 1.452 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)cn1 ZINC000996711101 703005692 /nfs/dbraw/zinc/00/56/92/703005692.db2.gz JRXMFAKADQUMAY-ZWKOTPCHSA-N 2 0 345.491 1.518 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996715414 703009958 /nfs/dbraw/zinc/00/99/58/703009958.db2.gz FYKLNDGHMWTGKI-DOTOQJQBSA-N 2 0 347.463 1.476 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3CC(C)C)CC2)[nH]1 ZINC000996762573 703054623 /nfs/dbraw/zinc/05/46/23/703054623.db2.gz LXKZRLZMWFPHJR-MRXNPFEDSA-N 2 0 348.495 1.314 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996903015 703177586 /nfs/dbraw/zinc/17/75/86/703177586.db2.gz GKARPDCYRUGSDJ-SJORKVTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996946990 703216630 /nfs/dbraw/zinc/21/66/30/703216630.db2.gz QXKXOSVGTZQSOP-UHFFFAOYSA-N 2 0 333.480 1.151 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)ncn1 ZINC000996956027 703225091 /nfs/dbraw/zinc/22/50/91/703225091.db2.gz RQPNOZPYDUOFNI-UHFFFAOYSA-N 2 0 331.464 1.207 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000996978234 703233581 /nfs/dbraw/zinc/23/35/81/703233581.db2.gz NFXGQDLRJLJWFF-DOTOQJQBSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996998344 703255303 /nfs/dbraw/zinc/25/53/03/703255303.db2.gz IKDOGCOFASIGPK-CQSZACIVSA-N 2 0 336.505 1.751 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000997001269 703258348 /nfs/dbraw/zinc/25/83/48/703258348.db2.gz TZZMVDHOJWJEPO-MRXNPFEDSA-N 2 0 347.507 1.510 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nc1 ZINC000996996751 703260230 /nfs/dbraw/zinc/26/02/30/703260230.db2.gz ZVURGYPBBIYVHF-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005311 703262239 /nfs/dbraw/zinc/26/22/39/703262239.db2.gz DHHWKBAHWGWRAY-YJBOKZPZSA-N 2 0 347.507 1.742 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)s1 ZINC000997008379 703266039 /nfs/dbraw/zinc/26/60/39/703266039.db2.gz LTHUEINQIXLYOE-BLLLJJGKSA-N 2 0 336.505 1.730 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)nn1 ZINC000997008400 703266180 /nfs/dbraw/zinc/26/61/80/703266180.db2.gz LVZLHCQYBJULAH-YOEHRIQHSA-N 2 0 348.495 1.137 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)ncn1 ZINC000997058455 703303628 /nfs/dbraw/zinc/30/36/28/703303628.db2.gz QYFZZBNYIGASFR-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000997083467 703321874 /nfs/dbraw/zinc/32/18/74/703321874.db2.gz KVDJQJMSEAPQHU-IAGOWNOFSA-N 2 0 332.448 1.772 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997185124 703473859 /nfs/dbraw/zinc/47/38/59/703473859.db2.gz CPURGHPKDRRLMG-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ccnc(Cl)c2)CC1)C12CC[NH+](CC1)C2 ZINC000997191733 703488592 /nfs/dbraw/zinc/48/85/92/703488592.db2.gz GGAXDDSXCVJDPF-UHFFFAOYSA-N 2 0 348.878 1.911 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H]2CCCOC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000997218825 703496879 /nfs/dbraw/zinc/49/68/79/703496879.db2.gz DCKRIOXBJMJSPN-APWZRJJASA-N 2 0 335.492 1.480 20 0 EDADRP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000997261469 703540357 /nfs/dbraw/zinc/54/03/57/703540357.db2.gz QXHOVHCTRRQLSG-DJIMGWMZSA-N 2 0 325.497 1.722 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ncc(Cl)s3)CC2)C1 ZINC000997299992 703557357 /nfs/dbraw/zinc/55/73/57/703557357.db2.gz SVBGRZBXZDJGKM-LLVKDONJSA-N 2 0 342.896 1.829 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]CCn2cc(Cl)cn2)CC1 ZINC000997307093 703565496 /nfs/dbraw/zinc/56/54/96/703565496.db2.gz OMHFZGUJGLKSFX-UHFFFAOYSA-N 2 0 339.871 1.213 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997360218 703590615 /nfs/dbraw/zinc/59/06/15/703590615.db2.gz MOTGUXCCPOFRCC-HUUCEWRRSA-N 2 0 333.480 1.374 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)o2)CC1 ZINC000997364282 703597650 /nfs/dbraw/zinc/59/76/50/703597650.db2.gz KJNMHVDDLAAXME-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)no1 ZINC000997361103 703598481 /nfs/dbraw/zinc/59/84/81/703598481.db2.gz SLEHCESDAOTDCW-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997420285 703670211 /nfs/dbraw/zinc/67/02/11/703670211.db2.gz FWWKBDHLUIDADU-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@]2(C1)CCC[NH+](CCO)C2 ZINC001040430325 703708238 /nfs/dbraw/zinc/70/82/38/703708238.db2.gz APLWGKPFYGDOSC-PKOBYXMFSA-N 2 0 337.508 1.556 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997614936 703912605 /nfs/dbraw/zinc/91/26/05/703912605.db2.gz WKLWLFRWCYJDDX-RDJZCZTQSA-N 2 0 325.497 1.173 20 0 EDADRP CC(C)(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032529442 704025319 /nfs/dbraw/zinc/02/53/19/704025319.db2.gz IFUCSQLPLRLYLR-FVTKVJNCSA-N 2 0 347.503 1.571 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnnn3C)C2)C1 ZINC000999289022 706783484 /nfs/dbraw/zinc/78/34/84/706783484.db2.gz DNDVTACPKTYGOV-FHERZECASA-N 2 0 348.495 1.016 20 0 EDADRP CN(C)Cc1cnc(C[NH2+]CC2(C3(O)CCOCC3)CC2)s1 ZINC000922593371 704091772 /nfs/dbraw/zinc/09/17/72/704091772.db2.gz JGYORALRDXUIMS-UHFFFAOYSA-N 2 0 325.478 1.616 20 0 EDADRP Cc1csc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093883 704171293 /nfs/dbraw/zinc/17/12/93/704171293.db2.gz FGYKNIMFZQBYQX-RBSFLKMASA-N 2 0 336.505 1.824 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc(C)no2)C1 ZINC000999308077 706808703 /nfs/dbraw/zinc/80/87/03/706808703.db2.gz OZMFOFWZSQWPCP-WBVHZDCISA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999301205 706804011 /nfs/dbraw/zinc/80/40/11/706804011.db2.gz CHFGPVRYQOFGMU-NVXWUHKLSA-N 2 0 333.480 1.375 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001004459773 704453524 /nfs/dbraw/zinc/45/35/24/704453524.db2.gz WNJVFLNWADGJOX-WBVHZDCISA-N 2 0 337.508 1.555 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+]1CCCC1)C1CCC1 ZINC001032557307 704736024 /nfs/dbraw/zinc/73/60/24/704736024.db2.gz GCQHFGXGBUXVEU-OKZBNKHCSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1cnccn1 ZINC000997822963 704742737 /nfs/dbraw/zinc/74/27/37/704742737.db2.gz IAFOEJFDXUPDTN-HNNXBMFYSA-N 2 0 345.491 1.850 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)C1CC1 ZINC000997824495 704744007 /nfs/dbraw/zinc/74/40/07/704744007.db2.gz SZHBSXCZUQWBQR-GOSISDBHSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)co1 ZINC000997830228 704748684 /nfs/dbraw/zinc/74/86/84/704748684.db2.gz FITLGBQOEWQEOZ-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)co1 ZINC000997830996 704751274 /nfs/dbraw/zinc/75/12/74/704751274.db2.gz NWEUAZAUWNJLGG-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998026545 705207437 /nfs/dbraw/zinc/20/74/37/705207437.db2.gz AQOJCKRBAIOKFB-UHFFFAOYSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000998031729 705217152 /nfs/dbraw/zinc/21/71/52/705217152.db2.gz NTPDUOYRAVVKBU-UHFFFAOYSA-N 2 0 348.491 1.961 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000998046541 705243165 /nfs/dbraw/zinc/24/31/65/705243165.db2.gz JPXHQZKSTGQJIQ-CRAIPNDOSA-N 2 0 347.507 1.952 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998081607 705302237 /nfs/dbraw/zinc/30/22/37/705302237.db2.gz KNMLSUPBMAPFAW-CQSZACIVSA-N 2 0 348.491 1.961 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998081285 705302489 /nfs/dbraw/zinc/30/24/89/705302489.db2.gz IGHSONUXZUXPIA-INIZCTEOSA-N 2 0 330.476 1.752 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)co1 ZINC000998081675 705302773 /nfs/dbraw/zinc/30/27/73/705302773.db2.gz LTZLNYOSYLDIRG-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000998082491 705309127 /nfs/dbraw/zinc/30/91/27/705309127.db2.gz PWKZOVLEKPSAMJ-HNNXBMFYSA-N 2 0 348.495 1.111 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000998082651 705310167 /nfs/dbraw/zinc/31/01/67/705310167.db2.gz RVOGCTLMBDLEEG-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000998190449 705496185 /nfs/dbraw/zinc/49/61/85/705496185.db2.gz PYTPTIVLGOCAHK-MSOLQXFVSA-N 2 0 347.507 1.538 20 0 EDADRP Cc1nc([C@H](C)NCC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000998216253 705538051 /nfs/dbraw/zinc/53/80/51/705538051.db2.gz FOMCZQFBKQVUNX-XJKSGUPXSA-N 2 0 349.479 1.609 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998270012 705647659 /nfs/dbraw/zinc/64/76/59/705647659.db2.gz UAQZCEWIMQWWDK-UHFFFAOYSA-N 2 0 331.464 1.209 20 0 EDADRP COc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998271721 705651394 /nfs/dbraw/zinc/65/13/94/705651394.db2.gz HZGRRBFJWNWLSR-INIZCTEOSA-N 2 0 346.475 1.370 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998274837 705658046 /nfs/dbraw/zinc/65/80/46/705658046.db2.gz WERFEDRDXUBPNW-MRXNPFEDSA-N 2 0 333.480 1.008 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998286136 705681223 /nfs/dbraw/zinc/68/12/23/705681223.db2.gz GGQFEHOIMAKYOD-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998286223 705681687 /nfs/dbraw/zinc/68/16/87/705681687.db2.gz JBLHGQNWDBHDTH-HZPDHXFCSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000998298433 705701703 /nfs/dbraw/zinc/70/17/03/705701703.db2.gz XXIYRAQHOGHDJJ-LBPRGKRZSA-N 2 0 332.408 1.164 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC[C@H]2CCOC2)C1 ZINC001032628687 705745886 /nfs/dbraw/zinc/74/58/86/705745886.db2.gz BNXVRSKPPCDFCJ-BZSNNMDCSA-N 2 0 349.519 1.820 20 0 EDADRP COc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998536448 705970225 /nfs/dbraw/zinc/97/02/25/705970225.db2.gz UXTVIVRWQILDEK-FAFZWHIHSA-N 2 0 345.487 1.911 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CN(C)CCO3)C2)c1 ZINC000998584792 706017289 /nfs/dbraw/zinc/01/72/89/706017289.db2.gz HGIPRRWBHWNIMP-HTWSVDAQSA-N 2 0 347.459 1.105 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998724538 706156452 /nfs/dbraw/zinc/15/64/52/706156452.db2.gz UNKTWHXDBSBZCR-CVEARBPZSA-N 2 0 332.448 1.265 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](NCc2nc(C3CCC3)no2)C1 ZINC000998730176 706162499 /nfs/dbraw/zinc/16/24/99/706162499.db2.gz JEUIARZIPFZYDK-CABCVRRESA-N 2 0 347.463 1.512 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000998762353 706199984 /nfs/dbraw/zinc/19/99/84/706199984.db2.gz BKEODXXGJIVRBR-DAWZGUTISA-N 2 0 347.507 1.855 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000998780242 706221167 /nfs/dbraw/zinc/22/11/67/706221167.db2.gz LFUDAIXTMPLKRO-DQPZFDDXSA-N 2 0 332.448 1.404 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998902407 706339134 /nfs/dbraw/zinc/33/91/34/706339134.db2.gz VAXFDUUHBCSLSV-HWOWSKLDSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC000999145955 706559788 /nfs/dbraw/zinc/55/97/88/706559788.db2.gz TZOINRJFVXTOQL-FUHWJXTLSA-N 2 0 347.507 1.682 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999347275 706859033 /nfs/dbraw/zinc/85/90/33/706859033.db2.gz IFXBRGMCSORZDW-ZDUSSCGKSA-N 2 0 337.493 1.411 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)ccn1 ZINC000999379749 706874011 /nfs/dbraw/zinc/87/40/11/706874011.db2.gz ZRFIOPZFSBQOOX-SJLPKXTDSA-N 2 0 346.475 1.511 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362366 706875505 /nfs/dbraw/zinc/87/55/05/706875505.db2.gz AOHAARPIRDZVTC-IAGOWNOFSA-N 2 0 333.480 1.324 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999398077 706892542 /nfs/dbraw/zinc/89/25/42/706892542.db2.gz BTRWDSRIMCLXLB-IRXDYDNUSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000999403187 706911839 /nfs/dbraw/zinc/91/18/39/706911839.db2.gz VAZXNFPULFPGPG-IAGOWNOFSA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999404128 706912965 /nfs/dbraw/zinc/91/29/65/706912965.db2.gz ZESLZABSMWXHOI-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)C1 ZINC000999408393 706918142 /nfs/dbraw/zinc/91/81/42/706918142.db2.gz KALXZQNTJHNDDB-NFOMZHRRSA-N 2 0 336.505 1.606 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1)[NH+]1CCCCCC1 ZINC000999507083 707004432 /nfs/dbraw/zinc/00/44/32/707004432.db2.gz WBFVMXGCYXNAPL-GTPINHCMSA-N 2 0 348.495 1.122 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999510540 707008696 /nfs/dbraw/zinc/00/86/96/707008696.db2.gz XDONLPGQLHGDEN-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999555097 707053137 /nfs/dbraw/zinc/05/31/37/707053137.db2.gz XVRHUIKAROPOTO-IVMQYODDSA-N 2 0 345.487 1.977 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CCn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC000999597432 707100093 /nfs/dbraw/zinc/10/00/93/707100093.db2.gz PDBKOTYXPBIDLE-INIZCTEOSA-N 2 0 331.464 1.092 20 0 EDADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1)c1nncn1C ZINC000999598229 707100755 /nfs/dbraw/zinc/10/07/55/707100755.db2.gz KXUFLNDZSSLMAY-FHERZECASA-N 2 0 348.495 1.187 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)[nH]1 ZINC000999700844 707230695 /nfs/dbraw/zinc/23/06/95/707230695.db2.gz ZOZCETGZULYXHL-IYXRBSQSSA-N 2 0 346.479 1.103 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999690074 707246414 /nfs/dbraw/zinc/24/64/14/707246414.db2.gz VEQNAJWSVJFKBH-FHERZECASA-N 2 0 348.495 1.027 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033182870 707358507 /nfs/dbraw/zinc/35/85/07/707358507.db2.gz SUCAPSDKRIBAAG-MSOLQXFVSA-N 2 0 349.519 1.964 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)o1 ZINC000999793599 707364756 /nfs/dbraw/zinc/36/47/56/707364756.db2.gz RGNFMRKHPUZNHA-SJLPKXTDSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999832334 707462854 /nfs/dbraw/zinc/46/28/54/707462854.db2.gz FUUHAOUJIJPJTI-UHFFFAOYSA-N 2 0 342.896 1.971 20 0 EDADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999871617 707514875 /nfs/dbraw/zinc/51/48/75/707514875.db2.gz WLIBYCWCXFKHFZ-FAEJEUNOSA-N 2 0 345.487 1.977 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)ncn1 ZINC000999877859 707526793 /nfs/dbraw/zinc/52/67/93/707526793.db2.gz YDFSYZYLYWKPRY-INIZCTEOSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1)[NH+]1CCCC1 ZINC000999880501 707531709 /nfs/dbraw/zinc/53/17/09/707531709.db2.gz IQEBXDMHBFRDCX-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](NCc1ncnn1C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004875742 707541814 /nfs/dbraw/zinc/54/18/14/707541814.db2.gz HAPWTFZJASHLLQ-GOEBONIOSA-N 2 0 348.495 1.159 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971563 707581989 /nfs/dbraw/zinc/58/19/89/707581989.db2.gz BVZSWXOQRTVFRO-ROUUACIJSA-N 2 0 347.507 1.586 20 0 EDADRP C[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCn2cccn2)C1)[NH+]1CCCCCC1 ZINC001033466614 707924090 /nfs/dbraw/zinc/92/40/90/707924090.db2.gz GWLKRKHCCDUHHV-MSOLQXFVSA-N 2 0 347.507 1.680 20 0 EDADRP COc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C[NH+]2CCCC2)cc1 ZINC001032782995 707973237 /nfs/dbraw/zinc/97/32/37/707973237.db2.gz QTZBVCATYAJERF-ROUUACIJSA-N 2 0 343.471 1.619 20 0 EDADRP Cc1ncc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC001005180650 708124132 /nfs/dbraw/zinc/12/41/32/708124132.db2.gz UOUOWMXRXGZPJS-INIZCTEOSA-N 2 0 336.505 1.969 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCc3ccnn3C)C2)CC1 ZINC001033532940 708156256 /nfs/dbraw/zinc/15/62/56/708156256.db2.gz VWNDDRARNNFHCC-GOSISDBHSA-N 2 0 347.507 1.227 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CC[NH+](CCOC)CC2)C1 ZINC001001737136 708251593 /nfs/dbraw/zinc/25/15/93/708251593.db2.gz CTEUVIVOKPFMHJ-QGZVFWFLSA-N 2 0 325.497 1.583 20 0 EDADRP Cc1cccc(OCC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033663468 708443464 /nfs/dbraw/zinc/44/34/64/708443464.db2.gz VXFVRCYVIYRYQJ-QZTJIDSGSA-N 2 0 345.487 1.858 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033661917 708476014 /nfs/dbraw/zinc/47/60/14/708476014.db2.gz NLACLIRKNORVGJ-MSOLQXFVSA-N 2 0 345.487 1.722 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CCCO)C2)o1 ZINC001033696951 708510678 /nfs/dbraw/zinc/51/06/78/708510678.db2.gz ADXJUXWGZRNUPM-HNNXBMFYSA-N 2 0 337.464 1.650 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C[C@H](C)O)C2)o1 ZINC001033698981 708546682 /nfs/dbraw/zinc/54/66/82/708546682.db2.gz HLZSOTWFNIXSRG-GJZGRUSLSA-N 2 0 337.464 1.649 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCO)CC1 ZINC001002037995 708559243 /nfs/dbraw/zinc/55/92/43/708559243.db2.gz SPDMRGIWOZKIHA-QGZVFWFLSA-N 2 0 325.497 1.462 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@@H]2CC[NH+](CCn3cccn3)C2)CC[N@@H+]1C ZINC001033833990 708860596 /nfs/dbraw/zinc/86/05/96/708860596.db2.gz BGRFLIMGEQRGNQ-FGTMMUONSA-N 2 0 347.507 1.536 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2cncn2C)C1 ZINC001033837937 708867817 /nfs/dbraw/zinc/86/78/17/708867817.db2.gz LIRCCYJVOIRKRG-BFYDXBDKSA-N 2 0 333.480 1.183 20 0 EDADRP CC[C@@H](F)C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005396001 708877039 /nfs/dbraw/zinc/87/70/39/708877039.db2.gz DXTHOMKGVAICMC-WBVHZDCISA-N 2 0 325.472 1.999 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005397315 708909276 /nfs/dbraw/zinc/90/92/76/708909276.db2.gz ISPNAYPSFPGQKA-QAPCUYQASA-N 2 0 335.492 1.288 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001002459762 708983415 /nfs/dbraw/zinc/98/34/15/708983415.db2.gz JQJLPFZFTXUYHA-GOSISDBHSA-N 2 0 331.460 1.740 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC001002479148 709028612 /nfs/dbraw/zinc/02/86/12/709028612.db2.gz GBTKTOJEESGDPC-MOPGFXCFSA-N 2 0 345.487 1.265 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907990 709040747 /nfs/dbraw/zinc/04/07/47/709040747.db2.gz WSHUOANWTKILQR-ISXWCOSWSA-N 2 0 335.492 1.573 20 0 EDADRP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001033953410 709134648 /nfs/dbraw/zinc/13/46/48/709134648.db2.gz MMUKLWXADVKVAI-APWZRJJASA-N 2 0 347.503 1.708 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001034044045 709295838 /nfs/dbraw/zinc/29/58/38/709295838.db2.gz ZPCLOVGODFFMRK-QZTJIDSGSA-N 2 0 330.476 1.765 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002790871 709398690 /nfs/dbraw/zinc/39/86/90/709398690.db2.gz BDMXKADSSZULNK-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(CN2CCC(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)on1 ZINC001002802292 709416903 /nfs/dbraw/zinc/41/69/03/709416903.db2.gz NEYRJJNLFCPMKF-RDJZCZTQSA-N 2 0 346.475 1.938 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)CC[N@@H+]1C ZINC001002860623 709463955 /nfs/dbraw/zinc/46/39/55/709463955.db2.gz MPKABCRUZKAPOW-YUELXQCFSA-N 2 0 345.434 1.331 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC001034209001 709558496 /nfs/dbraw/zinc/55/84/96/709558496.db2.gz WELXNPYIUQOPRY-ROUUACIJSA-N 2 0 345.491 1.233 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034384965 709912622 /nfs/dbraw/zinc/91/26/22/709912622.db2.gz HVSDHHMPEKOPJM-GOSISDBHSA-N 2 0 347.507 1.541 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCC[N@H+](CC3CC3)C2)cn1 ZINC001034435239 710007965 /nfs/dbraw/zinc/00/79/65/710007965.db2.gz HYVKMPVJLORVFX-QGZVFWFLSA-N 2 0 333.480 1.439 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001003131036 710030856 /nfs/dbraw/zinc/03/08/56/710030856.db2.gz VAYPNOLVRULZNC-QGZVFWFLSA-N 2 0 349.519 1.870 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001003160535 710070087 /nfs/dbraw/zinc/07/00/87/710070087.db2.gz QWKLOBFIVBTRPE-GJZGRUSLSA-N 2 0 345.434 1.476 20 0 EDADRP Cc1ncoc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490824 710110259 /nfs/dbraw/zinc/11/02/59/710110259.db2.gz NZGXAKXOBMRFFV-JKSUJKDBSA-N 2 0 334.464 1.796 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229295 710150211 /nfs/dbraw/zinc/15/02/11/710150211.db2.gz FJGCKBNUMQWFGK-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCCO2)CC1)C12CCC[NH+]1CCC2 ZINC001003242339 710165153 /nfs/dbraw/zinc/16/51/53/710165153.db2.gz CWVFILPATFOXLP-KRWDZBQOSA-N 2 0 335.492 1.765 20 0 EDADRP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034525870 710176717 /nfs/dbraw/zinc/17/67/17/710176717.db2.gz QRJGWUAJBLNICM-DLBZAZTESA-N 2 0 330.476 1.812 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034611590 710285996 /nfs/dbraw/zinc/28/59/96/710285996.db2.gz LZKPKCKUJKTZJH-JYJNAYRXSA-N 2 0 333.480 1.514 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001034614738 710289922 /nfs/dbraw/zinc/28/99/22/710289922.db2.gz VOHPYUSGJGHJOY-KZNAEPCWSA-N 2 0 346.475 1.238 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC001034647894 710324561 /nfs/dbraw/zinc/32/45/61/710324561.db2.gz AHJFHGDFWHEPCV-KZNAEPCWSA-N 2 0 345.491 1.279 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CC3)CC2)n1 ZINC001034648242 710324923 /nfs/dbraw/zinc/32/49/23/710324923.db2.gz BLWSBGFORBHAKO-WKILWMFISA-N 2 0 333.480 1.485 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)n1 ZINC001034648411 710325017 /nfs/dbraw/zinc/32/50/17/710325017.db2.gz GQMXZSPBDRNADW-QAQDUYKDSA-N 2 0 347.507 1.875 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)CC[N@@H+]1C ZINC001034649869 710326301 /nfs/dbraw/zinc/32/63/01/710326301.db2.gz YXYXHLCEWOBIEK-LUKYLMHMSA-N 2 0 348.495 1.025 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1)[NH+]1CCCC1 ZINC001003423203 710338623 /nfs/dbraw/zinc/33/86/23/710338623.db2.gz ASTBBCHKTLMBJT-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](CCn2cccn2)CC1)[NH+]1CCCC1 ZINC001003424140 710339393 /nfs/dbraw/zinc/33/93/93/710339393.db2.gz QFWHBBUCZMJJPF-UHFFFAOYSA-N 2 0 333.480 1.338 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+](C)C ZINC000922204479 710421095 /nfs/dbraw/zinc/42/10/95/710421095.db2.gz GLORQNUNGYPKIP-HZPDHXFCSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001003627979 710457976 /nfs/dbraw/zinc/45/79/76/710457976.db2.gz LBPGMKOFLVRTBF-DZGCQCFKSA-N 2 0 345.434 1.476 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC1 ZINC001003744944 710527925 /nfs/dbraw/zinc/52/79/25/710527925.db2.gz LEDMFCCRUIVUPG-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922264511 710549813 /nfs/dbraw/zinc/54/98/13/710549813.db2.gz UHCOMNAMELFFPF-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034673457 710611357 /nfs/dbraw/zinc/61/13/57/710611357.db2.gz ATAHAVGMOGFAQQ-ZOBUZTSGSA-N 2 0 333.480 1.421 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC001034674951 710626288 /nfs/dbraw/zinc/62/62/88/710626288.db2.gz VXFGJUZQNUWMCT-DTZQCDIJSA-N 2 0 348.495 1.675 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034720728 710871765 /nfs/dbraw/zinc/87/17/65/710871765.db2.gz HUCLGRCPOZBIKT-QAQDUYKDSA-N 2 0 334.464 1.842 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CCn2cccn2)CC1 ZINC001005661689 710873843 /nfs/dbraw/zinc/87/38/43/710873843.db2.gz WXLOTXROBVHCSF-UHFFFAOYSA-N 2 0 345.491 1.434 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)CC1 ZINC001034721950 710888718 /nfs/dbraw/zinc/88/87/18/710888718.db2.gz SGSOEJOVLOCQPM-QAQDUYKDSA-N 2 0 333.480 1.242 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005663453 710895101 /nfs/dbraw/zinc/89/51/01/710895101.db2.gz CANPXMGQVJYNTM-CQSZACIVSA-N 2 0 330.432 1.906 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC001034734070 710915820 /nfs/dbraw/zinc/91/58/20/710915820.db2.gz JDBLXNSFSQDAIT-XSLAGTTESA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1ncccn1 ZINC001034734583 710916879 /nfs/dbraw/zinc/91/68/79/710916879.db2.gz RTQRIZNZRVITLG-QAETUUGQSA-N 2 0 345.491 1.896 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034736968 710947756 /nfs/dbraw/zinc/94/77/56/710947756.db2.gz FSXWUNSCJVZSKY-OSMBCOQSSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737003 710948061 /nfs/dbraw/zinc/94/80/61/710948061.db2.gz GMQOTINYWJSGCO-KBAYOESNSA-N 2 0 337.508 1.914 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001032958460 710951309 /nfs/dbraw/zinc/95/13/09/710951309.db2.gz AJNBGRUJYAEZOM-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034738143 710952541 /nfs/dbraw/zinc/95/25/41/710952541.db2.gz QIFWOWXZFQXYSP-QSPRXWTASA-N 2 0 333.480 1.135 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)c1 ZINC001032960412 710969319 /nfs/dbraw/zinc/96/93/19/710969319.db2.gz SDACGBAWZLIYIM-FUHWJXTLSA-N 2 0 331.460 1.822 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034776730 711054122 /nfs/dbraw/zinc/05/41/22/711054122.db2.gz YVEJLPMHMVTHIG-ULQDDVLXSA-N 2 0 345.491 1.644 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034795267 711112629 /nfs/dbraw/zinc/11/26/29/711112629.db2.gz ZAIYRKZGQWRFNS-WKILWMFISA-N 2 0 333.480 1.516 20 0 EDADRP Cn1nccc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001034811150 711173526 /nfs/dbraw/zinc/17/35/26/711173526.db2.gz RGMCDIWYSXSDFK-GOSISDBHSA-N 2 0 341.459 1.420 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC001003983511 711182968 /nfs/dbraw/zinc/18/29/68/711182968.db2.gz LQYIADLJHJCTSG-UHFFFAOYSA-N 2 0 343.471 1.742 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1conc1C ZINC001034954432 711420436 /nfs/dbraw/zinc/42/04/36/711420436.db2.gz QJQDKCJRPMILCN-SJORKVTESA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnnn1CC ZINC001034956186 711425416 /nfs/dbraw/zinc/42/54/16/711425416.db2.gz PHNKQHOMGAFEBO-WBVHZDCISA-N 2 0 348.495 1.253 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3c1OCO3)C2 ZINC000922388324 711431335 /nfs/dbraw/zinc/43/13/35/711431335.db2.gz OYEBFLJALWKCIB-RGCFKVTRSA-N 2 0 332.444 1.985 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034940780 711444347 /nfs/dbraw/zinc/44/43/47/711444347.db2.gz IDLBLRIDHWHDRS-SJORKVTESA-N 2 0 343.475 1.207 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922465344 711581119 /nfs/dbraw/zinc/58/11/19/711581119.db2.gz BAWJCRSGSCEGSY-JYJNAYRXSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000922483548 711600005 /nfs/dbraw/zinc/60/00/05/711600005.db2.gz WVXXKMJESYFIRN-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001004177842 711632208 /nfs/dbraw/zinc/63/22/08/711632208.db2.gz CVLQADOJXSUPRX-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033126150 711872042 /nfs/dbraw/zinc/87/20/42/711872042.db2.gz KTKKIIWIHGGHJR-AEFFLSMTSA-N 2 0 337.508 1.963 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004501670 711902100 /nfs/dbraw/zinc/90/21/00/711902100.db2.gz ZIFLKHHANGMKQX-RBUKOAKNSA-N 2 0 349.519 1.556 20 0 EDADRP O=C(N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001004601163 712045427 /nfs/dbraw/zinc/04/54/27/712045427.db2.gz NQVRYKLMJUHPED-ICSRJNTNSA-N 2 0 349.519 1.558 20 0 EDADRP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662820 712291437 /nfs/dbraw/zinc/29/14/37/712291437.db2.gz QCUPILUYLZVCNK-KURKYZTESA-N 2 0 349.519 1.820 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000051758555 214104107 /nfs/dbraw/zinc/10/41/07/214104107.db2.gz DUGSTBRGVTXJQB-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CCSC1 ZINC000353333503 282274117 /nfs/dbraw/zinc/27/41/17/282274117.db2.gz YPWQVLWJXSQTAY-INMHGKMJSA-N 2 0 340.537 1.549 20 0 EDADRP CC(C)C(=O)Nc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000559582037 306256719 /nfs/dbraw/zinc/25/67/19/306256719.db2.gz QCSWQYSXLZBTNI-UHFFFAOYSA-N 2 0 349.479 1.242 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000561166619 306283639 /nfs/dbraw/zinc/28/36/39/306283639.db2.gz UARPKCJXBDKWMK-QXAKKESOSA-N 2 0 344.503 1.930 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000561207156 306284743 /nfs/dbraw/zinc/28/47/43/306284743.db2.gz SEJGYWLIQSXGAE-UHFFFAOYSA-N 2 0 326.485 1.136 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339241095 539701589 /nfs/dbraw/zinc/70/15/89/539701589.db2.gz VWTNLCCVMSDWCR-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H](OC)C[N@@H+]2C)cc1 ZINC000343326495 539785600 /nfs/dbraw/zinc/78/56/00/539785600.db2.gz XNVVLAFDNHIYNE-ROUUACIJSA-N 2 0 333.476 1.864 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H](O)CN2CCC3(CCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000343777241 539796590 /nfs/dbraw/zinc/79/65/90/539796590.db2.gz XVCYSMJHARUACF-ZACQAIPSSA-N 2 0 325.497 1.017 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949526 306313412 /nfs/dbraw/zinc/31/34/12/306313412.db2.gz HRWJPDSZTWMGGU-PKOBYXMFSA-N 2 0 331.460 1.176 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)COC2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000563200805 306322921 /nfs/dbraw/zinc/32/29/21/306322921.db2.gz DMTOQDJJXPYIBV-RYTJFDOTSA-N 2 0 341.496 1.279 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342689877 291048548 /nfs/dbraw/zinc/04/85/48/291048548.db2.gz FMFXRQRIJQFQKX-HOTGVXAUSA-N 2 0 339.480 1.382 20 0 EDADRP CC1(C)COCCN1CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000171103491 540092183 /nfs/dbraw/zinc/09/21/83/540092183.db2.gz XLTQGRRRSHKLAK-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737725 291075338 /nfs/dbraw/zinc/07/53/38/291075338.db2.gz OCFDRHCIJNVOMM-YOEHRIQHSA-N 2 0 330.476 1.525 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000563545909 306338252 /nfs/dbraw/zinc/33/82/52/306338252.db2.gz SJYQIARPDIRVEE-GOSISDBHSA-N 2 0 345.491 1.067 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000079599062 138262227 /nfs/dbraw/zinc/26/22/27/138262227.db2.gz QXPMJPRMSSEWOW-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)s1 ZINC000092746452 138290161 /nfs/dbraw/zinc/29/01/61/138290161.db2.gz OVINZSUMWHHUMO-KGLIPLIRSA-N 2 0 340.537 1.927 20 0 EDADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)s1 ZINC000092747330 138290223 /nfs/dbraw/zinc/29/02/23/138290223.db2.gz KTMOWXVALNODOL-UONOGXRCSA-N 2 0 340.537 1.927 20 0 EDADRP C[N@H+](CCNS(C)(=O)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821029 138290582 /nfs/dbraw/zinc/29/05/82/138290582.db2.gz GADSLCKQLGMGFR-UHFFFAOYSA-N 2 0 340.493 1.169 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000107368300 138304133 /nfs/dbraw/zinc/30/41/33/138304133.db2.gz HJSPRCNTBVKIFX-KRWDZBQOSA-N 2 0 331.460 1.670 20 0 EDADRP COc1cc(OC)c(C[NH2+][C@H](C)CCN2CCOCC2)c(OC)c1 ZINC000124216596 138324959 /nfs/dbraw/zinc/32/49/59/138324959.db2.gz DKHGQDSWWMUIFQ-CQSZACIVSA-N 2 0 338.448 1.913 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000124262774 138325486 /nfs/dbraw/zinc/32/54/86/138325486.db2.gz ISBAAFPKLBYUMG-MAUKXSAKSA-N 2 0 335.492 1.478 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000373395219 291125234 /nfs/dbraw/zinc/12/52/34/291125234.db2.gz PYYGLXADNMVYAZ-OVWQWFNUSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422879268 299269665 /nfs/dbraw/zinc/26/96/65/299269665.db2.gz MAZHRQMWDCEMQR-LBDPXKHJSA-N 2 0 325.522 1.851 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)c1cccs1 ZINC000187815456 236307567 /nfs/dbraw/zinc/30/75/67/236307567.db2.gz YVVATGWPCGUAKB-AWEZNQCLSA-N 2 0 340.493 1.372 20 0 EDADRP [NH3+]C1(C(=O)N2CCC[N@@H+](C3CCOCC3)CC2)Cc2ccccc2C1 ZINC000364224260 283398414 /nfs/dbraw/zinc/39/84/14/283398414.db2.gz ZQRGOHYVRLUEKW-UHFFFAOYSA-N 2 0 343.471 1.196 20 0 EDADRP C[C@](O)(C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(F)(F)F ZINC000564560873 306360770 /nfs/dbraw/zinc/36/07/70/306360770.db2.gz HEHRWLGACUTJKD-GJZGRUSLSA-N 2 0 332.366 1.656 20 0 EDADRP CN(CCCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ccccc1 ZINC000564895901 306368613 /nfs/dbraw/zinc/36/86/13/306368613.db2.gz MVRHRCGRMXEKOA-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP [NH3+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000564949355 306371042 /nfs/dbraw/zinc/37/10/42/306371042.db2.gz HYNBUTOLHRPMCV-FUHWJXTLSA-N 2 0 330.476 1.881 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000155251310 296017998 /nfs/dbraw/zinc/01/79/98/296017998.db2.gz IQRCHNIQUOICSZ-SFHVURJKSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@H]1SCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000262246265 291260171 /nfs/dbraw/zinc/26/01/71/291260171.db2.gz WNSOJUVYBWBBMJ-CRAIPNDOSA-N 2 0 333.501 1.987 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)C[NH+]1CCCC1 ZINC000565586383 306387125 /nfs/dbraw/zinc/38/71/25/306387125.db2.gz IOCYHTQYGMSHTA-CQSZACIVSA-N 2 0 344.459 1.119 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694764 304128240 /nfs/dbraw/zinc/12/82/40/304128240.db2.gz NRUMTZDZCRYMCI-VQIMIIECSA-N 2 0 345.487 1.556 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C[NH+]1CCCCC1 ZINC000414732562 304134245 /nfs/dbraw/zinc/13/42/45/304134245.db2.gz CSKZKVUVLHHXMP-AWEZNQCLSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCC(C)CC1 ZINC000414797024 304141698 /nfs/dbraw/zinc/14/16/98/304141698.db2.gz WCAODFOAVOQZIR-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(COc1ccccc1C[NH2+]CC[C@@H]1CC[NH2+]C1)NCC1CC1 ZINC000414832269 304145711 /nfs/dbraw/zinc/14/57/11/304145711.db2.gz OHIUSBJVPMXVGU-INIZCTEOSA-N 2 0 331.460 1.681 20 0 EDADRP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414988016 304148263 /nfs/dbraw/zinc/14/82/63/304148263.db2.gz PFTGILAPAVQUTI-GFCCVEGCSA-N 2 0 333.402 1.633 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+][C@H](C)[C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077610 304158172 /nfs/dbraw/zinc/15/81/72/304158172.db2.gz FQPRNGKIZQWXAG-OIISXLGYSA-N 2 0 333.476 1.866 20 0 EDADRP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415075075 304157935 /nfs/dbraw/zinc/15/79/35/304157935.db2.gz AZAMNZVXSOAKIT-YQQAZPJKSA-N 2 0 325.497 1.615 20 0 EDADRP COc1ccc(CC[NH2+][C@@H](C)C[C@@H]2CCC[NH2+]2)cc1S(N)(=O)=O ZINC000415091217 304158548 /nfs/dbraw/zinc/15/85/48/304158548.db2.gz PYXJLXFXSJRFQW-JSGCOSHPSA-N 2 0 341.477 1.005 20 0 EDADRP c1cc2c(cc1C[N@@H+]1CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]31)OCCO2 ZINC000415124287 304162315 /nfs/dbraw/zinc/16/23/15/304162315.db2.gz BXXWWGVZDBLIHT-CVEARBPZSA-N 2 0 330.428 1.658 20 0 EDADRP Cc1ccsc1C[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132113 304162458 /nfs/dbraw/zinc/16/24/58/304162458.db2.gz AEUNWTSZCYZOSW-LSDHHAIUSA-N 2 0 334.489 1.777 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415142455 304163910 /nfs/dbraw/zinc/16/39/10/304163910.db2.gz AMYPUGNRSBWLDR-PBHICJAKSA-N 2 0 346.475 1.533 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415148302 304165346 /nfs/dbraw/zinc/16/53/46/304165346.db2.gz KFOSKPSJICZLKX-XKQJLSEDSA-N 2 0 344.459 1.730 20 0 EDADRP COc1ccc(OCC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000195519104 139019267 /nfs/dbraw/zinc/01/92/67/139019267.db2.gz SSMLDPBBBOJYQX-UHFFFAOYSA-N 2 0 349.475 1.464 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236852223 139033474 /nfs/dbraw/zinc/03/34/74/139033474.db2.gz RBSVJLAFWACRIS-SFHVURJKSA-N 2 0 332.492 1.438 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000236980722 139037126 /nfs/dbraw/zinc/03/71/26/139037126.db2.gz OLXXLODYYGPFBA-XJKSGUPXSA-N 2 0 336.455 1.882 20 0 EDADRP C[NH2+]CCCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000237234932 139045183 /nfs/dbraw/zinc/04/51/83/139045183.db2.gz ZADSISNERBWREM-KRWDZBQOSA-N 2 0 346.475 1.791 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C[C@@H](C)O1 ZINC000237493617 139052511 /nfs/dbraw/zinc/05/25/11/139052511.db2.gz GAZNXFWKNKWCLY-HUUCEWRRSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]([NH3+])Cc2ccccc2)C[C@@H](C)O1 ZINC000237502494 139052748 /nfs/dbraw/zinc/05/27/48/139052748.db2.gz OEGYQHZONLNTMV-JFIYKMOQSA-N 2 0 333.476 1.562 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000368711438 296268574 /nfs/dbraw/zinc/26/85/74/296268574.db2.gz DYAHKIOWOOQFEN-ARFHVFGLSA-N 2 0 331.464 1.412 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)C[C@H]1C ZINC000248752331 139174279 /nfs/dbraw/zinc/17/42/79/139174279.db2.gz UUTZYIIPFNECBZ-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000249879200 139199727 /nfs/dbraw/zinc/19/97/27/139199727.db2.gz MSCLDRWAOGPVGH-KGLIPLIRSA-N 2 0 345.447 1.501 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000261654508 139214774 /nfs/dbraw/zinc/21/47/74/139214774.db2.gz FSKDFDXHNZDHRA-WBVHZDCISA-N 2 0 330.476 1.243 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(CC(=O)Nc3ccc(Br)cn3)C[C@@H]12 ZINC000261756358 139223450 /nfs/dbraw/zinc/22/34/50/139223450.db2.gz NHEXZQHTCNAFLU-MVWJERBFSA-N 2 0 339.237 1.452 20 0 EDADRP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261788508 139226209 /nfs/dbraw/zinc/22/62/09/139226209.db2.gz YONQUYCFTKHICH-FUHWJXTLSA-N 2 0 330.476 1.186 20 0 EDADRP COc1cc(C[NH+]2CCC(C[NH3+])CC2)cc(Cl)c1OCC(N)=O ZINC000261795598 139226726 /nfs/dbraw/zinc/22/67/26/139226726.db2.gz UHBLGJXHOINPAM-UHFFFAOYSA-N 2 0 341.839 1.383 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000261901063 139235206 /nfs/dbraw/zinc/23/52/06/139235206.db2.gz WSSUIFCICCFMPM-RDJZCZTQSA-N 2 0 330.476 1.243 20 0 EDADRP O=C(CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000261882572 139233895 /nfs/dbraw/zinc/23/38/95/139233895.db2.gz MRWNATZAGNVPTE-CQSZACIVSA-N 2 0 336.867 1.648 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000261953825 139239615 /nfs/dbraw/zinc/23/96/15/139239615.db2.gz ZJXWBYAWWKLMLO-CRAIPNDOSA-N 2 0 349.450 1.785 20 0 EDADRP Cc1nccn1-c1ccc([C@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261953879 139239691 /nfs/dbraw/zinc/23/96/91/139239691.db2.gz ZMYPNQUNKVZKJX-ZDUSSCGKSA-N 2 0 328.416 1.866 20 0 EDADRP CCn1ccnc1CN(C(=O)Cn1cccn1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262006509 139243392 /nfs/dbraw/zinc/24/33/92/139243392.db2.gz RRXFFDTZJIKPFZ-OAHLLOKOSA-N 2 0 342.447 1.270 20 0 EDADRP CCOC(=O)c1cnc(N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000262035767 139245545 /nfs/dbraw/zinc/24/55/45/139245545.db2.gz XRUCVNSMLKHOSQ-CYBMUJFWSA-N 2 0 338.477 1.441 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000262067861 139248151 /nfs/dbraw/zinc/24/81/51/139248151.db2.gz SEVZKKLNPBUXQT-FHLIZLRMSA-N 2 0 331.460 1.692 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)ccc1C[NH+](C)C ZINC000415555977 251009225 /nfs/dbraw/zinc/00/92/25/251009225.db2.gz IAIFSJQJSHRVTN-ZIAGYGMSSA-N 2 0 332.448 1.204 20 0 EDADRP C[NH2+]C(C)(C)CNC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416026136 251049036 /nfs/dbraw/zinc/04/90/36/251049036.db2.gz IXQSNWQPZMNTPS-UHFFFAOYSA-N 2 0 349.479 1.090 20 0 EDADRP C[C@H](CN1CCOCC1)N(Cc1noc(CN)n1)Cc1ccccc1 ZINC000262228626 139261860 /nfs/dbraw/zinc/26/18/60/139261860.db2.gz NQAYUWJZUOWYSY-OAHLLOKOSA-N 2 0 345.447 1.251 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C2(C[NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000262215589 139260719 /nfs/dbraw/zinc/26/07/19/139260719.db2.gz JDOGQDMFABKFRB-QGZVFWFLSA-N 2 0 333.476 1.723 20 0 EDADRP C[N@H+](CCOc1ccccc1Cl)CCC(=O)N1CC[NH2+]CC1 ZINC000262287895 139266825 /nfs/dbraw/zinc/26/68/25/139266825.db2.gz ZVBJGRDTWDAXCH-UHFFFAOYSA-N 2 0 325.840 1.473 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000415574452 304229235 /nfs/dbraw/zinc/22/92/35/304229235.db2.gz OSEWZWACKQXXCX-JDFRZJQESA-N 2 0 344.459 1.370 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1C)Cc1ccccc1 ZINC000417012071 251130610 /nfs/dbraw/zinc/13/06/10/251130610.db2.gz VIOUGCRIYJTASH-SJLPKXTDSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000417012547 251131182 /nfs/dbraw/zinc/13/11/82/251131182.db2.gz XCUHOHTXLJBXNS-LSDHHAIUSA-N 2 0 340.493 1.419 20 0 EDADRP COCC1(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262317936 139269555 /nfs/dbraw/zinc/26/95/55/139269555.db2.gz BXFOZDXERRYEOS-CALCHBBNSA-N 2 0 339.524 1.877 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417023124 251136615 /nfs/dbraw/zinc/13/66/15/251136615.db2.gz LKQCUVQWKXHQFU-MRXNPFEDSA-N 2 0 333.480 1.735 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000416999743 251125282 /nfs/dbraw/zinc/12/52/82/251125282.db2.gz YBRAOAOMMHEIMO-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000417005084 251126681 /nfs/dbraw/zinc/12/66/81/251126681.db2.gz CUSHXEKVIOAZPC-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417089888 251141561 /nfs/dbraw/zinc/14/15/61/251141561.db2.gz SGWMYQDQAVFFEU-GBESFXJTSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000417221000 251148051 /nfs/dbraw/zinc/14/80/51/251148051.db2.gz ZKWSQTXLVVNZKP-AEFFLSMTSA-N 2 0 339.528 1.091 20 0 EDADRP C[C@H](CNC(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417306832 251153291 /nfs/dbraw/zinc/15/32/91/251153291.db2.gz AVABQJLUVXKHQE-OAHLLOKOSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417420591 251168185 /nfs/dbraw/zinc/16/81/85/251168185.db2.gz KECIDWXRUGTREM-OLZOCXBDSA-N 2 0 337.443 1.285 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000417317350 251155770 /nfs/dbraw/zinc/15/57/70/251155770.db2.gz WKNQXWYZFIHCPZ-GXTWGEPZSA-N 2 0 344.406 1.959 20 0 EDADRP CC1(C)COCCN1CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417499343 251180860 /nfs/dbraw/zinc/18/08/60/251180860.db2.gz GBFSHLMPVJKBNI-SHTZXODSSA-N 2 0 326.485 1.162 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417497000 251181668 /nfs/dbraw/zinc/18/16/68/251181668.db2.gz CJUFWPNOPYFGSP-MOPGFXCFSA-N 2 0 344.503 1.944 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC1 ZINC000417550613 251187444 /nfs/dbraw/zinc/18/74/44/251187444.db2.gz WCFYYZIIAWFZFF-HUUCEWRRSA-N 2 0 340.512 1.502 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000417556625 251187481 /nfs/dbraw/zinc/18/74/81/251187481.db2.gz PAPQWJLCNSKUNP-KBPBESRZSA-N 2 0 332.439 1.937 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)ccc1F ZINC000417664310 251218826 /nfs/dbraw/zinc/21/88/26/251218826.db2.gz WNQBOGTUUUXVHP-ZBFHGGJFSA-N 2 0 334.439 1.638 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417622562 251209479 /nfs/dbraw/zinc/20/94/79/251209479.db2.gz HKVFBAFNECJZHN-KBPBESRZSA-N 2 0 328.526 1.773 20 0 EDADRP COCC[NH2+]CCNC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000417687432 251228633 /nfs/dbraw/zinc/22/86/33/251228633.db2.gz HZXYRLSQWMMPDK-INIZCTEOSA-N 2 0 348.491 1.747 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CCC[NH3+])[C@@H](C)C1 ZINC000417670912 251222337 /nfs/dbraw/zinc/22/23/37/251222337.db2.gz PCIPAEJWNFBQSO-JKSUJKDBSA-N 2 0 342.528 1.940 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262450620 139279880 /nfs/dbraw/zinc/27/98/80/139279880.db2.gz WGSHPCUMEOGMFB-GUYCJALGSA-N 2 0 340.427 1.650 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000262456745 139280245 /nfs/dbraw/zinc/28/02/45/139280245.db2.gz IDTDKYOJLLALGK-ZIAGYGMSSA-N 2 0 334.464 1.680 20 0 EDADRP COCC1(CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262444545 139279398 /nfs/dbraw/zinc/27/93/98/139279398.db2.gz VGJVQPYTQDHHHI-INIZCTEOSA-N 2 0 333.476 1.639 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cc2)[nH]1 ZINC000417831412 251288959 /nfs/dbraw/zinc/28/89/59/251288959.db2.gz QSOOZYLHHSDSBV-JSGCOSHPSA-N 2 0 328.420 1.777 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C[NH+](C)C ZINC000417847239 251295246 /nfs/dbraw/zinc/29/52/46/251295246.db2.gz ALDAEDNUPRISGG-HUUCEWRRSA-N 2 0 340.512 1.360 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000417846735 251295320 /nfs/dbraw/zinc/29/53/20/251295320.db2.gz QCKQLOMVEBOASW-MRXNPFEDSA-N 2 0 338.496 1.306 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417846472 251295893 /nfs/dbraw/zinc/29/58/93/251295893.db2.gz UCZMTPFLXYPGTJ-HTWSVDAQSA-N 2 0 330.476 1.327 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417819677 251283254 /nfs/dbraw/zinc/28/32/54/251283254.db2.gz XQTMUTIQDVQUCI-DOTOQJQBSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000418112126 251326880 /nfs/dbraw/zinc/32/68/80/251326880.db2.gz HUYJUCGYOMSUBH-OAGGEKHMSA-N 2 0 326.485 1.114 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)c1ccco1 ZINC000418163733 251350324 /nfs/dbraw/zinc/35/03/24/251350324.db2.gz HQCWBDMYBXKVOT-XUWVNRHRSA-N 2 0 334.464 1.960 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418198927 251354561 /nfs/dbraw/zinc/35/45/61/251354561.db2.gz WCFIFUVMPBHHRS-HOCLYGCPSA-N 2 0 349.479 1.352 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418319166 251359791 /nfs/dbraw/zinc/35/97/91/251359791.db2.gz OJCJTJJZCRPJIR-MRXNPFEDSA-N 2 0 336.455 1.899 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000418321542 251359938 /nfs/dbraw/zinc/35/99/38/251359938.db2.gz AUYIGDSOYYYDNX-SFHVURJKSA-N 2 0 345.491 1.831 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418384201 251363803 /nfs/dbraw/zinc/36/38/03/251363803.db2.gz OJLPDZYVTXPSAE-DVOMOZLQSA-N 2 0 338.402 1.462 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000418685522 251385944 /nfs/dbraw/zinc/38/59/44/251385944.db2.gz MVRIQESWKAGYNW-NZSAHSFTSA-N 2 0 342.487 1.869 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000262671172 139295098 /nfs/dbraw/zinc/29/50/98/139295098.db2.gz RPWBDGUHSYBQKM-GOSISDBHSA-N 2 0 346.475 1.007 20 0 EDADRP C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000262678344 139295645 /nfs/dbraw/zinc/29/56/45/139295645.db2.gz UQYRLLBPSOJVGP-DZGCQCFKSA-N 2 0 346.475 1.811 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262719418 139298711 /nfs/dbraw/zinc/29/87/11/139298711.db2.gz YCFIJMOLGFUNNS-DYVFJYSZSA-N 2 0 346.475 1.696 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262861433 139308734 /nfs/dbraw/zinc/30/87/34/139308734.db2.gz UDYKSMQFTCNUMN-QAPCUYQASA-N 2 0 330.476 1.162 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C[C@@H]3COCCN3)cn2)CC1 ZINC000422882537 252009585 /nfs/dbraw/zinc/00/95/85/252009585.db2.gz SNGBLXIUQSVEKU-FUHWJXTLSA-N 2 0 347.507 1.080 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422893531 252013616 /nfs/dbraw/zinc/01/36/16/252013616.db2.gz ADGWHZUOSWDPSU-RTBURBONSA-N 2 0 333.476 1.484 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422896276 252015102 /nfs/dbraw/zinc/01/51/02/252015102.db2.gz IBGNQWYZJRYSNP-MOPGFXCFSA-N 2 0 333.476 1.484 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+][C@H]3CCC[C@H]3C[NH3+])C2)cc(OC)c1 ZINC000422864437 252002931 /nfs/dbraw/zinc/00/29/31/252002931.db2.gz NBOGEQRQVDEBTB-BXWFABGCSA-N 2 0 333.476 1.995 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)ccc1OCC[NH+](C)C ZINC000423345892 252046971 /nfs/dbraw/zinc/04/69/71/252046971.db2.gz OJMPHXYCZVWILI-GOEBONIOSA-N 2 0 349.475 1.640 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423737359 252067014 /nfs/dbraw/zinc/06/70/14/252067014.db2.gz TWTUEKNZLKFTNP-QGZVFWFLSA-N 2 0 331.460 1.872 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422911563 252020862 /nfs/dbraw/zinc/02/08/62/252020862.db2.gz LABKFUCVYCMTRD-KRWDZBQOSA-N 2 0 332.492 1.832 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccccc1F ZINC000424035214 252122130 /nfs/dbraw/zinc/12/21/30/252122130.db2.gz DYRJVWCHWVSBGG-AZZWUSQASA-N 2 0 331.435 2.000 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424143932 252141839 /nfs/dbraw/zinc/14/18/39/252141839.db2.gz KGASDBGXPGFODT-GJZGRUSLSA-N 2 0 333.480 1.301 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424206263 252161746 /nfs/dbraw/zinc/16/17/46/252161746.db2.gz WSVRFPDAUHWZBM-GOEBONIOSA-N 2 0 346.479 1.053 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286153 224084444 /nfs/dbraw/zinc/08/44/44/224084444.db2.gz ZSUQGHCUYOFRKC-NYTXWWLZSA-N 2 0 336.432 1.473 20 0 EDADRP Cc1cccc2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)n12 ZINC000424288572 252190319 /nfs/dbraw/zinc/19/03/19/252190319.db2.gz KQUUOTVVMNCBHS-HNNXBMFYSA-N 2 0 326.444 1.967 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1Cc1cnc(N3CCN(C)CC3)nc1)CC[NH2+]CC2 ZINC000424370738 252202695 /nfs/dbraw/zinc/20/26/95/252202695.db2.gz CRAJYGGSIVZGSX-INIZCTEOSA-N 2 0 344.507 1.192 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)ccc1C[NH+](C)C ZINC000415609863 304238319 /nfs/dbraw/zinc/23/83/19/304238319.db2.gz HMMKLVTVWGCJBG-WBMJQRKESA-N 2 0 332.448 1.109 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCC[C@@]3(C)[NH3+])cn2)CC1 ZINC000262977099 139316378 /nfs/dbraw/zinc/31/63/78/139316378.db2.gz MJYGULVORHKFJB-VQIMIIECSA-N 2 0 345.491 1.357 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424445431 252233947 /nfs/dbraw/zinc/23/39/47/252233947.db2.gz FNBQJIFTKUEYAS-YOEHRIQHSA-N 2 0 346.475 1.723 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000424445450 252235289 /nfs/dbraw/zinc/23/52/89/252235289.db2.gz FOXHMBBOBVGSAX-OAHLLOKOSA-N 2 0 346.475 1.486 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000424482609 252250349 /nfs/dbraw/zinc/25/03/49/252250349.db2.gz UPXLQSJPAYTYNO-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000263224059 139329277 /nfs/dbraw/zinc/32/92/77/139329277.db2.gz MLYRBOFRSDZENJ-UDZFHETQSA-N 2 0 331.229 1.689 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112278387 220282268 /nfs/dbraw/zinc/28/22/68/220282268.db2.gz CLJJNDYJOUVHOE-KRWDZBQOSA-N 2 0 347.507 1.540 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[NH+](C)C ZINC000112294021 220289166 /nfs/dbraw/zinc/28/91/66/220289166.db2.gz MMMKPZJNHHPJGO-KRWDZBQOSA-N 2 0 348.491 1.180 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000570147817 306531269 /nfs/dbraw/zinc/53/12/69/306531269.db2.gz UUNUSIWLRHKQTL-QZTJIDSGSA-N 2 0 339.443 1.594 20 0 EDADRP C[N@H+](CCCCCO)CC(=O)N1CCN(Cc2ccccc2)CC1 ZINC000263697746 139353621 /nfs/dbraw/zinc/35/36/21/139353621.db2.gz AUOOLBVJZKOOMS-UHFFFAOYSA-N 2 0 333.476 1.425 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000471643573 255015399 /nfs/dbraw/zinc/01/53/99/255015399.db2.gz RFFYAIWAZCTTPB-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C\C[NH+](C)C ZINC000491925157 255155162 /nfs/dbraw/zinc/15/51/62/255155162.db2.gz LBAGUPDVUINSCO-SREVYHEPSA-N 2 0 346.475 1.893 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000492593311 255181919 /nfs/dbraw/zinc/18/19/19/255181919.db2.gz KEJIAXKLUGBMHA-OEPRFQHASA-N 2 0 331.460 1.377 20 0 EDADRP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)/C=C\C[NH+](C)C)C1 ZINC000492713192 255185698 /nfs/dbraw/zinc/18/56/98/255185698.db2.gz YSHGBISRSKYUKQ-IYKSTZQJSA-N 2 0 336.505 1.850 20 0 EDADRP C[C@H](C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1)NC(=O)OC(C)(C)C ZINC000494553831 255253171 /nfs/dbraw/zinc/25/31/71/255253171.db2.gz HBUMGKGELHWGKF-RBSFLKMASA-N 2 0 329.485 1.725 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415797715 304273364 /nfs/dbraw/zinc/27/33/64/304273364.db2.gz ZJEQHWYXZMFRQV-KBPBESRZSA-N 2 0 332.448 1.115 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(N(C)C)nc1 ZINC000349073228 285282501 /nfs/dbraw/zinc/28/25/01/285282501.db2.gz KFJHVNXTNXEGFM-KRWDZBQOSA-N 2 0 334.512 1.391 20 0 EDADRP O[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000375372825 285301868 /nfs/dbraw/zinc/30/18/68/285301868.db2.gz GOBJHLRTRGWFTN-BSHDOZJQSA-N 2 0 338.492 1.634 20 0 EDADRP CC(C)(O)[C@H]1CCC[NH+]1CCOCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000119032792 221227154 /nfs/dbraw/zinc/22/71/54/221227154.db2.gz QITOYIIIBJSASE-HZPDHXFCSA-N 2 0 328.497 1.474 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)[C@H](C)C1 ZINC000430798817 285395328 /nfs/dbraw/zinc/39/53/28/285395328.db2.gz VDUYTDOWXAPRGJ-CJNGLKHVSA-N 2 0 348.495 1.313 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(ccn3CCC[NH3+])c2)C1 ZINC000269255322 139903458 /nfs/dbraw/zinc/90/34/58/139903458.db2.gz JLEADSKHNCPCFL-KRWDZBQOSA-N 2 0 344.459 1.441 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000332163801 141133593 /nfs/dbraw/zinc/13/35/93/141133593.db2.gz UBIUCPCEMXNEEN-INIZCTEOSA-N 2 0 331.464 1.702 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000333521246 141331154 /nfs/dbraw/zinc/33/11/54/141331154.db2.gz GRPAADYLNCAEOR-SJLPKXTDSA-N 2 0 343.475 1.691 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC[NH2+]1 ZINC000333870058 141398256 /nfs/dbraw/zinc/39/82/56/141398256.db2.gz ULSJBZDTFBQCEV-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP Cn1ccc(N2CCC[C@@H](N3CC[C@]4(C3)CCC[N@H+](C)C4)C2=O)n1 ZINC000339426424 142045082 /nfs/dbraw/zinc/04/50/82/142045082.db2.gz LTSSLXZMACVVTN-CRAIPNDOSA-N 2 0 331.464 1.333 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000339500269 142061272 /nfs/dbraw/zinc/06/12/72/142061272.db2.gz OMURIBNSMZSSDN-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC000339612907 142093418 /nfs/dbraw/zinc/09/34/18/142093418.db2.gz GTPDMMCSWZCQEN-HOTGVXAUSA-N 2 0 340.512 1.210 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000340311973 142338258 /nfs/dbraw/zinc/33/82/58/142338258.db2.gz KQGHHCXULKHKDF-SFHVURJKSA-N 2 0 339.524 1.802 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](NC(=O)NC)C2)CC1 ZINC000344931703 143028145 /nfs/dbraw/zinc/02/81/45/143028145.db2.gz LHNUWGXILRFYJQ-KRWDZBQOSA-N 2 0 345.491 1.332 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000345307208 143075979 /nfs/dbraw/zinc/07/59/79/143075979.db2.gz MABZJUAWBZWQCG-IAGOWNOFSA-N 2 0 347.507 1.679 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000345563485 143106329 /nfs/dbraw/zinc/10/63/29/143106329.db2.gz LWLWDROEARXYNI-CVEARBPZSA-N 2 0 328.501 1.205 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000345715717 143124947 /nfs/dbraw/zinc/12/49/47/143124947.db2.gz MPJRBNVIAVROLX-GFCCVEGCSA-N 2 0 335.464 1.837 20 0 EDADRP C[C@@H]1CN(c2ccccn2)C[C@@H]1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000345829948 143137650 /nfs/dbraw/zinc/13/76/50/143137650.db2.gz AOCXPVHMVTYWBW-LTIDMASMSA-N 2 0 328.460 1.897 20 0 EDADRP CC[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+](CC)CC ZINC000345916614 143146747 /nfs/dbraw/zinc/14/67/47/143146747.db2.gz PLZTXAMGPVRGAB-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CC[C@H]1CN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC[N@@H+]1C[C@@H](C)O ZINC000346227924 143181123 /nfs/dbraw/zinc/18/11/23/143181123.db2.gz YQWIYPRNILXRIL-QAPCUYQASA-N 2 0 343.475 1.853 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346852342 143251754 /nfs/dbraw/zinc/25/17/54/143251754.db2.gz XEKCDQRODQFMTN-USXIJHARSA-N 2 0 333.480 1.124 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000347028001 143273450 /nfs/dbraw/zinc/27/34/50/143273450.db2.gz VRLIIIBCRZDISC-JSGCOSHPSA-N 2 0 338.477 1.282 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)C1 ZINC000347164084 143289739 /nfs/dbraw/zinc/28/97/39/143289739.db2.gz PGSLLMMSDVSHIN-FUHWJXTLSA-N 2 0 348.491 1.435 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000347547138 143333719 /nfs/dbraw/zinc/33/37/19/143333719.db2.gz FVTYXHSXEJYIJJ-UHFFFAOYSA-N 2 0 329.444 1.474 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000347564722 143335732 /nfs/dbraw/zinc/33/57/32/143335732.db2.gz WBBDRNGTJCSDOT-HNNXBMFYSA-N 2 0 329.444 1.474 20 0 EDADRP CC(C)[C@H](C(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000347696783 143351002 /nfs/dbraw/zinc/35/10/02/143351002.db2.gz LTQCKDUZDVPIKS-GOSISDBHSA-N 2 0 338.540 1.593 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347721322 143354383 /nfs/dbraw/zinc/35/43/83/143354383.db2.gz SRGUWYUFVXCGCK-RYRKJORJSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)CC1 ZINC000572599714 306594392 /nfs/dbraw/zinc/59/43/92/306594392.db2.gz KUGCSVFOMCQHED-ZWKOTPCHSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CC1(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CCC1 ZINC000573303805 306617443 /nfs/dbraw/zinc/61/74/43/306617443.db2.gz JIWWOUSSXCYQHP-OAHLLOKOSA-N 2 0 325.522 1.804 20 0 EDADRP COCC[NH+](CCOC)C1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000353028913 149259376 /nfs/dbraw/zinc/25/93/76/149259376.db2.gz ONVOBOXKWHNFMI-KRWDZBQOSA-N 2 0 327.513 1.530 20 0 EDADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353385277 149387299 /nfs/dbraw/zinc/38/72/99/149387299.db2.gz LLZACOJASJGWST-ZWKOTPCHSA-N 2 0 345.512 1.917 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000353393112 149389607 /nfs/dbraw/zinc/38/96/07/149389607.db2.gz FUXMHTYBZXVRGT-NVXWUHKLSA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000416972362 304358093 /nfs/dbraw/zinc/35/80/93/304358093.db2.gz RRRYDJIUTFUTOI-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000416974553 304359007 /nfs/dbraw/zinc/35/90/07/304359007.db2.gz LYBDNLFCNDLGJH-ZBFHGGJFSA-N 2 0 334.464 1.554 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000416979006 304359959 /nfs/dbraw/zinc/35/99/59/304359959.db2.gz WNNILBWUVNWXJL-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000416979626 304360579 /nfs/dbraw/zinc/36/05/79/304360579.db2.gz XDOYNHMLQUTKGV-MRXNPFEDSA-N 2 0 334.464 1.378 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000355039595 150087521 /nfs/dbraw/zinc/08/75/21/150087521.db2.gz AYVXUSYJNJXSMV-RYQLBKOJSA-N 2 0 333.476 1.810 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417028777 304362192 /nfs/dbraw/zinc/36/21/92/304362192.db2.gz BUBYRXMEVSYJKC-JKSUJKDBSA-N 2 0 326.485 1.400 20 0 EDADRP CC(C)C[C@@]1(CO)CCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000355765950 150392460 /nfs/dbraw/zinc/39/24/60/150392460.db2.gz YSBYWAPGVOFEPC-LJQANCHMSA-N 2 0 337.508 1.602 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000356234055 150562497 /nfs/dbraw/zinc/56/24/97/150562497.db2.gz WGSGNTZNZYOTLP-OAHLLOKOSA-N 2 0 349.479 1.652 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)N1CCN(c2ccccc2)CC1 ZINC000417042270 304365262 /nfs/dbraw/zinc/36/52/62/304365262.db2.gz NGEFLRJBMREPOE-SOLBZPMBSA-N 2 0 345.491 1.328 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417049542 304366718 /nfs/dbraw/zinc/36/67/18/304366718.db2.gz UKSCXSDDVHRKON-CVEARBPZSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000357540889 151061865 /nfs/dbraw/zinc/06/18/65/151061865.db2.gz IEZNATHZHQNRNL-XJKSGUPXSA-N 2 0 325.478 1.319 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000333698675 292237851 /nfs/dbraw/zinc/23/78/51/292237851.db2.gz QNBVOEBTEORHTM-HZPDHXFCSA-N 2 0 338.496 1.034 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000357696017 151117793 /nfs/dbraw/zinc/11/77/93/151117793.db2.gz LGNPVMNPXCQGHO-OAHLLOKOSA-N 2 0 334.464 1.906 20 0 EDADRP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000358140952 151285672 /nfs/dbraw/zinc/28/56/72/151285672.db2.gz OLLJMEYTQOWDRF-QZTJIDSGSA-N 2 0 334.508 1.147 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000358290790 151327638 /nfs/dbraw/zinc/32/76/38/151327638.db2.gz IJGDBVCFIGGKSI-BRWVUGGUSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CCOC1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000573917179 306638581 /nfs/dbraw/zinc/63/85/81/306638581.db2.gz ODBDBFNGVWLCCY-OAHLLOKOSA-N 2 0 325.840 1.437 20 0 EDADRP CCn1nc(C(C)C)cc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000360896952 152244602 /nfs/dbraw/zinc/24/46/02/152244602.db2.gz JPSCSFUNMSARNV-UHFFFAOYSA-N 2 0 335.496 1.782 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cn(C)nc1C(F)F)N1CC[NH+](C)CC1 ZINC000360964228 152265017 /nfs/dbraw/zinc/26/50/17/152265017.db2.gz OJXOCSXFHGGPRH-AWEZNQCLSA-N 2 0 329.439 1.719 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000361111021 152308939 /nfs/dbraw/zinc/30/89/39/152308939.db2.gz IPIMQIFIYLMDEH-QZTJIDSGSA-N 3 0 346.523 1.309 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2cccc(N3CC[NH+](C)CC3)n2)no1 ZINC000361264647 152348315 /nfs/dbraw/zinc/34/83/15/152348315.db2.gz JJSYXJRMIPNLFA-KGLIPLIRSA-N 2 0 342.447 1.549 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000417154613 304378602 /nfs/dbraw/zinc/37/86/02/304378602.db2.gz KQMGNWSODYVVHC-KRWDZBQOSA-N 2 0 334.439 1.793 20 0 EDADRP COCC1CCC([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000449202624 292265256 /nfs/dbraw/zinc/26/52/56/292265256.db2.gz IUJBDUOLRCNVKH-JCYILVPMSA-N 2 0 327.513 1.874 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000363889960 153087390 /nfs/dbraw/zinc/08/73/90/153087390.db2.gz ZCXSZHNNRAYSJJ-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000423873499 286356796 /nfs/dbraw/zinc/35/67/96/286356796.db2.gz AIHMLVMOHDNJMQ-ZWKOTPCHSA-N 2 0 347.459 1.327 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000417196867 304383608 /nfs/dbraw/zinc/38/36/08/304383608.db2.gz PPOYSEQTPYPTDY-SFHVURJKSA-N 2 0 344.503 1.944 20 0 EDADRP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)C1CCOCC1 ZINC000367184188 154033201 /nfs/dbraw/zinc/03/32/01/154033201.db2.gz FQUXDUXNHMRZOA-INIZCTEOSA-N 2 0 337.489 1.583 20 0 EDADRP CN1CCO[C@@H](C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367201065 154039676 /nfs/dbraw/zinc/03/96/76/154039676.db2.gz QYDDWHIHRSSEFC-IEBWSBKVSA-N 2 0 331.460 1.345 20 0 EDADRP Cc1cnn(C)c1C[NH2+]CCN1CCN(C)C[C@H]1c1ccccc1 ZINC000367532074 154164053 /nfs/dbraw/zinc/16/40/53/154164053.db2.gz XDWWTBZAXWBJHR-IBGZPJMESA-N 2 0 327.476 1.807 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000367590629 154189118 /nfs/dbraw/zinc/18/91/18/154189118.db2.gz SSKKRDUBUFKBAX-ROUUACIJSA-N 2 0 330.476 1.984 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000417303895 304391228 /nfs/dbraw/zinc/39/12/28/304391228.db2.gz YPKRGYAICBYKLV-GOSISDBHSA-N 2 0 348.491 1.877 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000417351793 304394085 /nfs/dbraw/zinc/39/40/85/304394085.db2.gz DNBVUBIEXSNFJF-GOSISDBHSA-N 2 0 348.491 1.667 20 0 EDADRP O=C(CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)NCCOc1ccccc1 ZINC000369599052 155104122 /nfs/dbraw/zinc/10/41/22/155104122.db2.gz GRTHEPZZSWVKPP-BHIYHBOVSA-N 2 0 343.471 1.598 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000369598777 155104323 /nfs/dbraw/zinc/10/43/23/155104323.db2.gz CXBZEYYFKRJOPY-RBUKOAKNSA-N 2 0 345.487 1.830 20 0 EDADRP COCCN1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@H]1C ZINC000371739400 156085640 /nfs/dbraw/zinc/08/56/40/156085640.db2.gz MBHFAOWCWOACEG-MGNMYUMUSA-N 2 0 338.496 1.221 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372055814 156227874 /nfs/dbraw/zinc/22/78/74/156227874.db2.gz VKASFVGPXSFESC-WJFTUGDTSA-N 3 0 341.540 1.822 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417529682 304403690 /nfs/dbraw/zinc/40/36/90/304403690.db2.gz RDOUYRYQCQSVEX-PBHICJAKSA-N 2 0 334.464 1.301 20 0 EDADRP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000374020723 157111074 /nfs/dbraw/zinc/11/10/74/157111074.db2.gz AYRWOBIZQVHWKW-SJORKVTESA-N 2 0 326.400 1.270 20 0 EDADRP C[C@H]1CN(c2cc(NCC3CC3)ncn2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000374309094 157236340 /nfs/dbraw/zinc/23/63/40/157236340.db2.gz IDKBCRVKVSMXDV-RDJZCZTQSA-N 2 0 344.507 1.761 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471936 157301904 /nfs/dbraw/zinc/30/19/04/157301904.db2.gz OCPWZELQAOZQIH-OAHLLOKOSA-N 2 0 340.512 1.253 20 0 EDADRP COCCCn1nccc1C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000374688557 157367263 /nfs/dbraw/zinc/36/72/63/157367263.db2.gz ATTUOLMXWGGNIW-MRXNPFEDSA-N 2 0 335.496 1.178 20 0 EDADRP Cc1cc(N2CCC(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)ncn1 ZINC000377982459 158047229 /nfs/dbraw/zinc/04/72/29/158047229.db2.gz ILYLKTUOMPKKKY-GJZGRUSLSA-N 2 0 331.464 1.600 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)C[C@H]3CCC[NH2+]3)CCCCCC2)CC1 ZINC000378203426 158107628 /nfs/dbraw/zinc/10/76/28/158107628.db2.gz QXVFNKVHQAEXJM-QGZVFWFLSA-N 2 0 336.524 1.585 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417913692 304430441 /nfs/dbraw/zinc/43/04/41/304430441.db2.gz QHPQEJDXJGRJQR-PVAVHDDUSA-N 2 0 338.496 1.196 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417967008 304439721 /nfs/dbraw/zinc/43/97/21/304439721.db2.gz JYLKBMDPUCFZAX-KRWDZBQOSA-N 2 0 331.464 1.691 20 0 EDADRP CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000352187863 162038015 /nfs/dbraw/zinc/03/80/15/162038015.db2.gz VHOGQTXIDUQAJA-JZXOWHBKSA-N 2 0 333.476 1.468 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000352213244 162053527 /nfs/dbraw/zinc/05/35/27/162053527.db2.gz GEMLMOCOJBLQRC-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352421464 162174575 /nfs/dbraw/zinc/17/45/75/162174575.db2.gz CQZRWVNIWSVQNI-IRXDYDNUSA-N 2 0 344.459 1.286 20 0 EDADRP COc1cccc(NC(=O)CC[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000352504007 162217231 /nfs/dbraw/zinc/21/72/31/162217231.db2.gz MCWJDQXJADAQGB-INIZCTEOSA-N 2 0 332.448 1.003 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccnc(C)n1 ZINC000073790326 287264495 /nfs/dbraw/zinc/26/44/95/287264495.db2.gz RFDQMAUCVUGYFH-KRWDZBQOSA-N 2 0 348.495 1.343 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000073897590 287265876 /nfs/dbraw/zinc/26/58/76/287265876.db2.gz XKUVJULMDJUMGF-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cc(F)ccc1F ZINC000077821664 287291018 /nfs/dbraw/zinc/29/10/18/287291018.db2.gz OZZQBIDQHDOXMG-UHFFFAOYSA-N 2 0 328.407 1.600 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000078588126 287294035 /nfs/dbraw/zinc/29/40/35/287294035.db2.gz ZOIORERWABZZNM-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(N2CCSCC2)CCCC1 ZINC000333303219 299000552 /nfs/dbraw/zinc/00/05/52/299000552.db2.gz QJTLDRLDXMOQMW-ARFHVFGLSA-N 2 0 327.538 1.690 20 0 EDADRP C[C@H](CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488397 452285708 /nfs/dbraw/zinc/28/57/08/452285708.db2.gz YQOAQEXIRNPRSX-BPKGMFCQSA-N 2 0 325.497 1.626 20 0 EDADRP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000451263391 287370118 /nfs/dbraw/zinc/37/01/18/287370118.db2.gz YXDSCLGZHMEHFC-XMTFNYHQSA-N 2 0 328.497 1.189 20 0 EDADRP C[NH+]1CCC(NC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000121334398 287370381 /nfs/dbraw/zinc/37/03/81/287370381.db2.gz QFULSKRUHGVPCJ-DLBZAZTESA-N 2 0 338.496 1.148 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000274506487 268155399 /nfs/dbraw/zinc/15/53/99/268155399.db2.gz JREAFCQLVOBUON-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000274620080 268170514 /nfs/dbraw/zinc/17/05/14/268170514.db2.gz ZGQZSFKWKATVPS-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273062199 273026694 /nfs/dbraw/zinc/02/66/94/273026694.db2.gz JEKLJSRRPDOVCJ-HKUYNNGSSA-N 2 0 345.487 1.688 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc2ccncc21 ZINC000275015383 268264695 /nfs/dbraw/zinc/26/46/95/268264695.db2.gz YEKCEYQNVIHNMP-UHFFFAOYSA-N 2 0 343.475 1.975 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000275477903 268348677 /nfs/dbraw/zinc/34/86/77/268348677.db2.gz BIYJNEJYBQVIGV-UHFFFAOYSA-N 2 0 346.475 1.330 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CCC(=O)c1ccccn1 ZINC000274459446 273092248 /nfs/dbraw/zinc/09/22/48/273092248.db2.gz GBAFYWDVIWBBRU-UHFFFAOYSA-N 2 0 348.491 1.777 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186661879 272946250 /nfs/dbraw/zinc/94/62/50/272946250.db2.gz PVURAJAUCMXSHM-QAPCUYQASA-N 2 0 330.476 1.556 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000278246902 273256724 /nfs/dbraw/zinc/25/67/24/273256724.db2.gz MDQDZQPRHVZHMW-WMLDXEAASA-N 2 0 335.448 1.710 20 0 EDADRP CC(C)(C[NH2+]CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCC1 ZINC000278359610 273260985 /nfs/dbraw/zinc/26/09/85/273260985.db2.gz JNNRHFNMSPLEIA-UHFFFAOYSA-N 2 0 329.444 1.994 20 0 EDADRP [NH3+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000281946981 273557717 /nfs/dbraw/zinc/55/77/17/273557717.db2.gz LTEBHGOHZSSYGA-QGZVFWFLSA-N 2 0 345.491 1.181 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000284908577 274382730 /nfs/dbraw/zinc/38/27/30/274382730.db2.gz BRBAXYNVHPVPQY-IEBWSBKVSA-N 2 0 347.503 1.839 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1-n1ccnn1 ZINC000285696695 274621174 /nfs/dbraw/zinc/62/11/74/274621174.db2.gz ORMOORQCYFREDZ-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000332235267 275526127 /nfs/dbraw/zinc/52/61/27/275526127.db2.gz GGSHTFCZWWCAPU-CABCVRRESA-N 2 0 331.526 1.829 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000344190910 276254308 /nfs/dbraw/zinc/25/43/08/276254308.db2.gz XSJXMQSJQMKXRG-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000246350213 276371937 /nfs/dbraw/zinc/37/19/37/276371937.db2.gz PHJVKYWXFWUXOW-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1ccccc1 ZINC000188982068 277168744 /nfs/dbraw/zinc/16/87/44/277168744.db2.gz HQOYSYXUZSPRKQ-RDJZCZTQSA-N 2 0 325.416 1.231 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000488832879 277862068 /nfs/dbraw/zinc/86/20/68/277862068.db2.gz SUIYCSILMHJRLH-ZWKOTPCHSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@@H](C)O1 ZINC000246548356 277888696 /nfs/dbraw/zinc/88/86/96/277888696.db2.gz SYGULPDLFRZVMW-SFFUCWETSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000286477165 288015536 /nfs/dbraw/zinc/01/55/36/288015536.db2.gz LGCYDTUWXOBBDQ-JKSUJKDBSA-N 2 0 348.491 1.080 20 0 EDADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000286483588 288016652 /nfs/dbraw/zinc/01/66/52/288016652.db2.gz LLMNXJHDAAZJMJ-UHFFFAOYSA-N 2 0 329.448 1.310 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCO1 ZINC000346607227 278343704 /nfs/dbraw/zinc/34/37/04/278343704.db2.gz OIFHCMAOHXXALI-SJORKVTESA-N 2 0 333.480 1.536 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000352090608 279112215 /nfs/dbraw/zinc/11/22/15/279112215.db2.gz ASHLTMIGRDZYHF-INIZCTEOSA-N 2 0 333.542 1.758 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000351595465 279124243 /nfs/dbraw/zinc/12/42/43/279124243.db2.gz PTVUYHVMPUKHQY-HRCADAONSA-N 2 0 328.501 1.059 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103331 279293891 /nfs/dbraw/zinc/29/38/91/279293891.db2.gz MMSDNGGHTYOQMW-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365681327 279314191 /nfs/dbraw/zinc/31/41/91/279314191.db2.gz WVKIPLCOADVQHR-QGZVFWFLSA-N 2 0 333.480 1.583 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000358128973 279363154 /nfs/dbraw/zinc/36/31/54/279363154.db2.gz DHQSLSSBHOOJHI-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000364850232 279511286 /nfs/dbraw/zinc/51/12/86/279511286.db2.gz KAEZNLLGZQSUMN-GOSISDBHSA-N 2 0 330.476 1.386 20 0 EDADRP CCS(=O)(=O)c1cc(Cl)cc(C[NH2+][C@H](CCC[NH3+])COC)c1 ZINC000423169947 280030004 /nfs/dbraw/zinc/03/00/04/280030004.db2.gz KQYRPSRIJZXYKN-CQSZACIVSA-N 2 0 348.896 1.977 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000360134064 280357607 /nfs/dbraw/zinc/35/76/07/280357607.db2.gz FKYNZEZKTFQWTJ-HRCADAONSA-N 2 0 328.501 1.202 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000287411540 288232052 /nfs/dbraw/zinc/23/20/52/288232052.db2.gz XIWPDTQTQUAKKJ-XYJFISCASA-N 2 0 348.491 1.386 20 0 EDADRP C[C@H](NC(=O)NCCCN1CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287425887 288235669 /nfs/dbraw/zinc/23/56/69/288235669.db2.gz YSIJNPBSMAFLAV-FUHWJXTLSA-N 2 0 348.491 1.699 20 0 EDADRP CCN(C[C@@H]1CCN(C[C@@H](O)C[N@H+](C)C(C)C)C1)CC(F)(F)F ZINC000659981968 452891538 /nfs/dbraw/zinc/89/15/38/452891538.db2.gz BAJYJOKBVLDAPO-GJZGRUSLSA-N 2 0 339.446 1.894 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000288086115 288399936 /nfs/dbraw/zinc/39/99/36/288399936.db2.gz HDECZAMJFWEWHG-UHFFFAOYSA-N 2 0 348.491 1.213 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NCC2([NH+](C)C)CCOCC2)CCCC1 ZINC000185666758 289090120 /nfs/dbraw/zinc/09/01/20/289090120.db2.gz OWZLRFVNBVNYKT-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CO[C@](C)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000292397621 289336027 /nfs/dbraw/zinc/33/60/27/289336027.db2.gz RLDOQOXWEDMRMF-IBGZPJMESA-N 2 0 346.475 1.525 20 0 EDADRP C[C@H]1C[C@@H](O)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000292415011 289340930 /nfs/dbraw/zinc/34/09/30/289340930.db2.gz MHEMMNNSVHHXKH-LPHOPBHVSA-N 2 0 345.487 1.744 20 0 EDADRP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000416829786 289354375 /nfs/dbraw/zinc/35/43/75/289354375.db2.gz GEJMUOLAXUFSAM-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360737853 289398985 /nfs/dbraw/zinc/39/89/85/289398985.db2.gz NNMLNZQSMCMMGN-ZBFHGGJFSA-N 2 0 328.526 1.407 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(C)c2C(F)(F)F)CC1 ZINC000336878617 290085105 /nfs/dbraw/zinc/08/51/05/290085105.db2.gz GZNCJJXAGWBPCH-LBPRGKRZSA-N 2 0 348.413 1.964 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418589858 304515482 /nfs/dbraw/zinc/51/54/82/304515482.db2.gz JNXJUYMCPYFIAJ-PMPSAXMXSA-N 2 0 340.512 1.515 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccc(CC)cc1)[NH+](C)C ZINC000418868367 304541926 /nfs/dbraw/zinc/54/19/26/304541926.db2.gz VUUOHOSXPCTMEL-PBHICJAKSA-N 2 0 348.491 1.082 20 0 EDADRP C[C@H](CNC(=O)NC[C@@]1([NH+](C)C)CCSC1)[NH+]1CCC(C)CC1 ZINC000360413555 298728140 /nfs/dbraw/zinc/72/81/40/298728140.db2.gz LTXRSVAMOVQLMU-WBVHZDCISA-N 2 0 342.553 1.843 20 0 EDADRP CC[C@H](CNS(C)(=O)=O)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648710600 453201199 /nfs/dbraw/zinc/20/11/99/453201199.db2.gz XFIZNGDAJNIAIQ-OAHLLOKOSA-N 2 0 343.493 1.044 20 0 EDADRP CC[C@@H](C)c1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1 ZINC000420446305 304759352 /nfs/dbraw/zinc/75/93/52/304759352.db2.gz BCIAOTGSGTVOBW-CQSZACIVSA-N 2 0 327.494 1.888 20 0 EDADRP COCCOc1cc2c(cc1C[N@H+]1CC[C@H]3C[NH2+]C[C@H]3CC1)OCO2 ZINC000414768898 447325105 /nfs/dbraw/zinc/32/51/05/447325105.db2.gz MPMXTWZJVZWVSA-GASCZTMLSA-N 2 0 348.443 1.872 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000293492272 302974203 /nfs/dbraw/zinc/97/42/03/302974203.db2.gz RZDKZSQTSGZRNZ-IEBWSBKVSA-N 2 0 342.487 1.409 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000414856601 447329976 /nfs/dbraw/zinc/32/99/76/447329976.db2.gz ONDWHNBFMMSCMX-GASCZTMLSA-N 2 0 346.475 1.724 20 0 EDADRP COc1ccc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000390703194 303849894 /nfs/dbraw/zinc/84/98/94/303849894.db2.gz ULRTVWYIPRGWDO-UHFFFAOYSA-N 2 0 340.471 1.998 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400506855 303859226 /nfs/dbraw/zinc/85/92/26/303859226.db2.gz KFVPCERAJBGILP-GJZGRUSLSA-N 2 0 341.496 1.678 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]([C@H](CO)C2CC2)C2CC2)CC1 ZINC000411795427 303915418 /nfs/dbraw/zinc/91/54/18/303915418.db2.gz UVFDJCMJZSNRRA-IEBWSBKVSA-N 2 0 337.508 1.362 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)NCCCN2CC[NH2+]CC2)c1 ZINC000414880698 447341154 /nfs/dbraw/zinc/34/11/54/447341154.db2.gz JXQLCVFVFUKYQW-UHFFFAOYSA-N 2 0 349.479 1.044 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1OCC(N)=O ZINC000422941669 304880785 /nfs/dbraw/zinc/88/07/85/304880785.db2.gz VICRLFRUPNYQOH-HRCADAONSA-N 2 0 347.459 1.570 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)C[C@@H](O)C(C)(C)C)CC[NH2+]CC1 ZINC000423109951 304886630 /nfs/dbraw/zinc/88/66/30/304886630.db2.gz UIAWLWHTYNGOJY-RRFJBIMHSA-N 2 0 344.496 1.055 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CC(=O)N3CCCC[C@H]23)CC[NH2+]CC1 ZINC000423115790 304887157 /nfs/dbraw/zinc/88/71/57/304887157.db2.gz OFVBQLSAACGKRH-SOUVJXGZSA-N 2 0 337.464 1.051 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nnc(CC)s2)CC[NH2+]CC1 ZINC000423131617 304888006 /nfs/dbraw/zinc/88/80/06/304888006.db2.gz BAASHOZCKMCUGW-LLVKDONJSA-N 2 0 326.466 1.512 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(OCc2nccn2C)cc1 ZINC000423210163 304889605 /nfs/dbraw/zinc/88/96/05/304889605.db2.gz WAMMSEDZCIGZSC-MRXNPFEDSA-N 2 0 343.475 1.555 20 0 EDADRP [NH3+]CCCn1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)nn1 ZINC000423767063 304909187 /nfs/dbraw/zinc/90/91/87/304909187.db2.gz DCCORQAZKVBULH-UHFFFAOYSA-N 2 0 342.447 1.518 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000424459449 304930610 /nfs/dbraw/zinc/93/06/10/304930610.db2.gz WKAZMIHDMWGCKO-INIZCTEOSA-N 2 0 348.491 1.875 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000429288527 305027793 /nfs/dbraw/zinc/02/77/93/305027793.db2.gz WLQHXAVOVQJCJH-DLBZAZTESA-N 2 0 337.508 1.913 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2O)CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000430648165 305061266 /nfs/dbraw/zinc/06/12/66/305061266.db2.gz HDXARHNQBLKKMD-HNNXBMFYSA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCOc2cccc(Cl)c2)CC1 ZINC000430919640 305068143 /nfs/dbraw/zinc/06/81/43/305068143.db2.gz RFYWWWYLWYFHLY-ZDUSSCGKSA-N 2 0 339.867 1.894 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000430961271 305070990 /nfs/dbraw/zinc/07/09/90/305070990.db2.gz CPYAENMYGHZKNU-HOCLYGCPSA-N 2 0 347.459 1.263 20 0 EDADRP CCN(C(=O)COC1C[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000431033518 305073219 /nfs/dbraw/zinc/07/32/19/305073219.db2.gz IJXONDHOBXOSLZ-NVXWUHKLSA-N 2 0 331.460 1.659 20 0 EDADRP CCN(C(=O)COC1C[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000431033519 305073286 /nfs/dbraw/zinc/07/32/86/305073286.db2.gz IJXONDHOBXOSLZ-RDJZCZTQSA-N 2 0 331.460 1.659 20 0 EDADRP COc1ccccc1[C@@H](C)NC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431041603 305073474 /nfs/dbraw/zinc/07/34/74/305073474.db2.gz WTKIUDFQXJFTAS-OAHLLOKOSA-N 2 0 331.460 1.948 20 0 EDADRP CC(=O)Nc1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1F ZINC000433123122 305101055 /nfs/dbraw/zinc/10/10/55/305101055.db2.gz TWJNFLDCJHCYTM-UHFFFAOYSA-N 2 0 336.411 1.926 20 0 EDADRP [NH3+]C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000434668626 305126972 /nfs/dbraw/zinc/12/69/72/305126972.db2.gz BMVCIHGQQOWECZ-ZWKOTPCHSA-N 2 0 327.428 1.724 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000434879448 305132109 /nfs/dbraw/zinc/13/21/09/305132109.db2.gz XPHDKNVTYQZXBP-OAHLLOKOSA-N 2 0 343.537 1.431 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC[C@H]3CCOC3)c2)C1 ZINC000438193820 305182937 /nfs/dbraw/zinc/18/29/37/305182937.db2.gz XPEGJAVCXDFFEY-QFBILLFUSA-N 2 0 345.487 1.900 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC[N@@H+]1C ZINC000438888588 305190541 /nfs/dbraw/zinc/19/05/41/305190541.db2.gz DGONPEJXQIPNNH-KMFMINBZSA-N 2 0 328.460 1.979 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC000440988296 305215904 /nfs/dbraw/zinc/21/59/04/305215904.db2.gz QPTBAEYLANGUTH-CVEARBPZSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000445973191 305260623 /nfs/dbraw/zinc/26/06/23/305260623.db2.gz BSETYVLDFILLLW-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]1CC[C@](CO)([NH+](C)C[C@@H](O)C[N@@H+](C)[C@]2(CO)CC[C@H](C)C2)C1 ZINC000447264493 305276736 /nfs/dbraw/zinc/27/67/36/305276736.db2.gz BPWALZZEGAEJMB-DQCOHUIHSA-N 2 0 342.524 1.313 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000449140990 305307671 /nfs/dbraw/zinc/30/76/71/305307671.db2.gz KQRSRKADAOPEGD-MRXNPFEDSA-N 2 0 327.513 1.970 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000377775190 447349741 /nfs/dbraw/zinc/34/97/41/447349741.db2.gz LHQLYOHNBLSVIM-FGTMMUONSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2CCC23CCCC3)C1 ZINC000451469376 305348368 /nfs/dbraw/zinc/34/83/68/305348368.db2.gz MGULHEBTLUPGMM-IRXDYDNUSA-N 2 0 337.508 1.772 20 0 EDADRP O=C(C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000451609659 305356177 /nfs/dbraw/zinc/35/61/77/305356177.db2.gz NWJVXTBFUDTIMK-MJGOQNOKSA-N 2 0 335.492 1.116 20 0 EDADRP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452015613 305378571 /nfs/dbraw/zinc/37/85/71/305378571.db2.gz MQMKXLJGDNMMGX-FGTMMUONSA-N 2 0 333.476 1.953 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000452361301 305392608 /nfs/dbraw/zinc/39/26/08/305392608.db2.gz JWZLIRXUOJEQKX-ROUUACIJSA-N 2 0 337.508 1.747 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)NC1CC[NH+](C2CCC2)CC1 ZINC000454339913 305423696 /nfs/dbraw/zinc/42/36/96/305423696.db2.gz YFVNYPFUNGANQN-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP CC[C@H](C(=O)N[C@H](CN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000489581601 305564793 /nfs/dbraw/zinc/56/47/93/305564793.db2.gz KCOPXQHQCFNBLJ-OAGGEKHMSA-N 2 0 342.528 1.266 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414913660 447354462 /nfs/dbraw/zinc/35/44/62/447354462.db2.gz WLORUQKDPIUHKY-GJZGRUSLSA-N 2 0 346.475 1.835 20 0 EDADRP CCOC(=O)N1CC[C@H]([NH2+][C@@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000496140678 305661259 /nfs/dbraw/zinc/66/12/59/305661259.db2.gz LUYRCMNEXUUPCD-KBPBESRZSA-N 2 0 341.452 1.128 20 0 EDADRP C[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496141375 305661446 /nfs/dbraw/zinc/66/14/46/305661446.db2.gz YGBPIWNPHQQTPO-PFPDTZPXSA-N 2 0 345.443 1.220 20 0 EDADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000514824831 305706621 /nfs/dbraw/zinc/70/66/21/305706621.db2.gz BYHZDCXPNCOGRP-ZRGWGRIASA-N 2 0 335.467 1.647 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH3+])C3)CC2)nc1 ZINC000519407574 305768485 /nfs/dbraw/zinc/76/84/85/305768485.db2.gz PSRNDMJLGJFNIG-DLBZAZTESA-N 2 0 345.491 1.309 20 0 EDADRP C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539044350 306034155 /nfs/dbraw/zinc/03/41/55/306034155.db2.gz KXBXUWPMTRKDPX-KBPBESRZSA-N 2 0 328.478 1.711 20 0 EDADRP CC[C@H](C)Oc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccn1 ZINC000540820881 306040497 /nfs/dbraw/zinc/04/04/97/306040497.db2.gz GSNYKZUXFHNQET-HNNXBMFYSA-N 2 0 336.480 1.824 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000543744060 306068695 /nfs/dbraw/zinc/06/86/95/306068695.db2.gz ZTQRILCACQDXLL-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1cncc([C@@H](C)[NH2+][C@@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000545233273 306082952 /nfs/dbraw/zinc/08/29/52/306082952.db2.gz ONGGDCWVULRKRL-GDBMZVCRSA-N 2 0 327.432 1.965 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553651428 306187071 /nfs/dbraw/zinc/18/70/71/306187071.db2.gz PWNPCFOZMVJMSE-SYJJWHGVSA-N 2 0 336.480 1.609 20 0 EDADRP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000555612899 306203949 /nfs/dbraw/zinc/20/39/49/306203949.db2.gz NBKVXPGBDYMTMZ-QUCCMNQESA-N 2 0 343.471 1.366 20 0 EDADRP CC(C)CC(=O)Nc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000556938099 306221355 /nfs/dbraw/zinc/22/13/55/306221355.db2.gz YXIVBPLKFABGRV-MRXNPFEDSA-N 2 0 347.463 1.778 20 0 EDADRP Cc1ccccc1[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCO1 ZINC000556942839 306221645 /nfs/dbraw/zinc/22/16/45/306221645.db2.gz HNIMTDAFEVPRBN-AEFFLSMTSA-N 2 0 331.460 1.566 20 0 EDADRP Nc1cc[nH+]cc1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000557189586 306225898 /nfs/dbraw/zinc/22/58/98/306225898.db2.gz OKNFMPAJIUQZAU-DZGCQCFKSA-N 2 0 328.391 1.756 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419721721 447372450 /nfs/dbraw/zinc/37/24/50/447372450.db2.gz KSJITCAMXDFKPY-AWEZNQCLSA-N 2 0 340.512 1.244 20 0 EDADRP FC(F)(F)c1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)[nH]n1 ZINC000414965377 447377460 /nfs/dbraw/zinc/37/74/60/447377460.db2.gz FQWGPGZTNJGOCP-SNVBAGLBSA-N 2 0 345.291 1.354 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282221 453634687 /nfs/dbraw/zinc/63/46/87/453634687.db2.gz TYFSWJGGLWKNEA-UKRRQHHQSA-N 2 0 327.494 1.975 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000414985029 447385428 /nfs/dbraw/zinc/38/54/28/447385428.db2.gz MSDLBSXIKJIMSI-WMLDXEAASA-N 2 0 346.475 1.978 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000378269394 447412208 /nfs/dbraw/zinc/41/22/08/447412208.db2.gz GQTDDEIDRGAKRY-ZBFHGGJFSA-N 2 0 329.510 1.041 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000098030512 441147959 /nfs/dbraw/zinc/14/79/59/441147959.db2.gz MCKBZSXQYFXYLN-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000105477055 441256573 /nfs/dbraw/zinc/25/65/73/441256573.db2.gz MXUDRFQNUCEHJA-UHFFFAOYSA-N 3 0 327.476 1.990 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000020939867 441267841 /nfs/dbraw/zinc/26/78/41/441267841.db2.gz WHZBZZVPVDSAOT-GOSISDBHSA-N 2 0 330.476 1.015 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000081996881 441330037 /nfs/dbraw/zinc/33/00/37/441330037.db2.gz AKBYXGXNBFCXJJ-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000073621948 441334326 /nfs/dbraw/zinc/33/43/26/441334326.db2.gz YNRCWTMMWMXQSE-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000081633497 441298487 /nfs/dbraw/zinc/29/84/87/441298487.db2.gz DUEKGPLXJQCSPR-QGZVFWFLSA-N 2 0 336.524 1.251 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000415438077 447439743 /nfs/dbraw/zinc/43/97/43/447439743.db2.gz LNYFPIATNAUXJT-DZGCQCFKSA-N 2 0 348.447 1.110 20 0 EDADRP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(C)(C)C[NH+](C)C ZINC000085289898 441432154 /nfs/dbraw/zinc/43/21/54/441432154.db2.gz LETZGMSCCNQOEA-OAHLLOKOSA-N 2 0 347.507 1.540 20 0 EDADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000085358741 441433481 /nfs/dbraw/zinc/43/34/81/441433481.db2.gz AMVGXUNUALRWGP-XHSDSOJGSA-N 2 0 342.528 1.761 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108301244 441441793 /nfs/dbraw/zinc/44/17/93/441441793.db2.gz MPMOUDQSIKUBMU-INIZCTEOSA-N 2 0 331.460 1.841 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000111511186 441536879 /nfs/dbraw/zinc/53/68/79/441536879.db2.gz MTBWVNQMYBVTEL-KRWDZBQOSA-N 2 0 331.464 1.788 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@H+](CC4CC4)C3)ccn2)CC1 ZINC000112296483 441547196 /nfs/dbraw/zinc/54/71/96/441547196.db2.gz RBZDAKAYHPYHSK-KRWDZBQOSA-N 2 0 343.475 1.048 20 0 EDADRP CCC[NH+]1CCC(N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000109788874 441506465 /nfs/dbraw/zinc/50/64/65/441506465.db2.gz SINMVDMPIJHVNA-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C1 ZINC000066175456 441509040 /nfs/dbraw/zinc/50/90/40/441509040.db2.gz FKQHPAYZHUYWCY-IRXDYDNUSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836305 441558049 /nfs/dbraw/zinc/55/80/49/441558049.db2.gz UZBQXWPTAMTABB-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP CC1CC[NH+](CCNC(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000076309528 441627482 /nfs/dbraw/zinc/62/74/82/441627482.db2.gz YNDVOBJYNOJBJM-UHFFFAOYSA-N 2 0 329.488 1.934 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000041605830 441663849 /nfs/dbraw/zinc/66/38/49/441663849.db2.gz MNWHVQSCMVLMJA-AWEZNQCLSA-N 2 0 334.464 1.533 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccc(F)cc1 ZINC000137057909 441742777 /nfs/dbraw/zinc/74/27/77/441742777.db2.gz FQUWJOVEMATHHT-CVEARBPZSA-N 2 0 339.480 1.982 20 0 EDADRP Cc1ccc(C(=O)CCN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000159225322 441796148 /nfs/dbraw/zinc/79/61/48/441796148.db2.gz ADXVZGSBKLEJTK-UHFFFAOYSA-N 2 0 343.471 1.808 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000068591699 441828215 /nfs/dbraw/zinc/82/82/15/441828215.db2.gz BPWZYJQRAPOCRM-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000068598228 441829702 /nfs/dbraw/zinc/82/97/02/441829702.db2.gz YNTBJFOJDQMLDG-YOEHRIQHSA-N 2 0 336.480 1.937 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000116732418 441838412 /nfs/dbraw/zinc/83/84/12/441838412.db2.gz YIWIXEONHXQXDW-GOSISDBHSA-N 2 0 344.503 1.657 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000174038688 441881724 /nfs/dbraw/zinc/88/17/24/441881724.db2.gz LEEUQAZTEGYNBL-UHFFFAOYSA-N 2 0 348.491 1.592 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CCCC1 ZINC000458664441 447445237 /nfs/dbraw/zinc/44/52/37/447445237.db2.gz QBAIJHZSRNOAJT-INIZCTEOSA-N 2 0 340.512 1.254 20 0 EDADRP CC(=O)NC1CCC([NH2+]C[C@H]2C[C@H](O)CN2Cc2ccccc2)CC1 ZINC000161733718 442028800 /nfs/dbraw/zinc/02/88/00/442028800.db2.gz ZRCBUBBCJCCUJG-TUNPWDSISA-N 2 0 345.487 1.659 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175532254 442081297 /nfs/dbraw/zinc/08/12/97/442081297.db2.gz UJUDOGDQKWSCDV-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126475348 442115147 /nfs/dbraw/zinc/11/51/47/442115147.db2.gz AZVCGGJHXRXMNN-BBWFWOEESA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(C)(CO)CC1)c1ccccc1 ZINC000163146079 442146555 /nfs/dbraw/zinc/14/65/55/442146555.db2.gz FADBDDNMNMZTEN-KRWDZBQOSA-N 2 0 333.476 1.500 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000163578414 442174853 /nfs/dbraw/zinc/17/48/53/442174853.db2.gz JVVOOHIMNFDDSR-LSDHHAIUSA-N 2 0 337.489 1.626 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000127386079 442198075 /nfs/dbraw/zinc/19/80/75/442198075.db2.gz ZAAUVWIWVAXOQP-JKSUJKDBSA-N 2 0 346.475 1.930 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000121411372 442213408 /nfs/dbraw/zinc/21/34/08/442213408.db2.gz BPVWTMZEWDCKLI-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](CCO)C(C)C)CC2)cc1 ZINC000176364355 442214674 /nfs/dbraw/zinc/21/46/74/442214674.db2.gz WTCILKYVNPXILD-UHFFFAOYSA-N 2 0 347.503 1.732 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000166677913 442217607 /nfs/dbraw/zinc/21/76/07/442217607.db2.gz OELPIUQWOIFBLL-UHFFFAOYSA-N 2 0 333.476 1.915 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc2c(c1)OCO2 ZINC000168958165 442225321 /nfs/dbraw/zinc/22/53/21/442225321.db2.gz WOVRUZHVUZYQEN-MRXNPFEDSA-N 2 0 349.475 1.456 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000169080805 442226083 /nfs/dbraw/zinc/22/60/83/442226083.db2.gz OHSKOEWRCWKERX-CHWSQXEVSA-N 2 0 331.432 1.764 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000154550637 442345293 /nfs/dbraw/zinc/34/52/93/442345293.db2.gz NNBBTVTXMXPLEH-ZDUSSCGKSA-N 2 0 334.420 1.612 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc2[nH]ccc21 ZINC000130570071 442350168 /nfs/dbraw/zinc/35/01/68/442350168.db2.gz OAFYMMXOLQCTDC-UHFFFAOYSA-N 2 0 345.447 1.058 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000177725559 442376748 /nfs/dbraw/zinc/37/67/48/442376748.db2.gz CRBBXRGPJHGBCR-DLBZAZTESA-N 2 0 336.524 1.393 20 0 EDADRP CC[N@@H+]1CC[C@@H](NCCS(=O)(=O)NCc2ccccc2)[C@H](C)C1 ZINC000177769688 442382181 /nfs/dbraw/zinc/38/21/81/442382181.db2.gz QDWQTLYTWANQAJ-NVXWUHKLSA-N 2 0 339.505 1.426 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178214538 442415546 /nfs/dbraw/zinc/41/55/46/442415546.db2.gz DXCRVQGOZSZNOT-IRXDYDNUSA-N 2 0 336.524 1.393 20 0 EDADRP OCC[C@H]1CCCC[NH+]1CCOCC[N@H+]1CCCC[C@@H]1CCO ZINC000178696901 442458426 /nfs/dbraw/zinc/45/84/26/442458426.db2.gz PCQGVVHZEPHXKB-QZTJIDSGSA-N 2 0 328.497 1.477 20 0 EDADRP O=C(NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178876760 442510893 /nfs/dbraw/zinc/51/08/93/442510893.db2.gz RXXMHFDGSUWAMY-LJQANCHMSA-N 2 0 344.503 1.310 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178856674 442504941 /nfs/dbraw/zinc/50/49/41/442504941.db2.gz SWSKSFAPFJGEDB-SOLBZPMBSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000157138714 442553987 /nfs/dbraw/zinc/55/39/87/442553987.db2.gz DFLZSQJHDUUNTD-KRWDZBQOSA-N 2 0 325.497 1.770 20 0 EDADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000180470631 442607272 /nfs/dbraw/zinc/60/72/72/442607272.db2.gz ZMERWDJUOOHRIV-GOSISDBHSA-N 2 0 333.476 1.601 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000192359280 442639213 /nfs/dbraw/zinc/63/92/13/442639213.db2.gz KBIAGDZCMFFYNC-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)N2CCC[C@H](C)C2)[C@H](C)C1 ZINC000187012127 442644949 /nfs/dbraw/zinc/64/49/49/442644949.db2.gz FAILNAPYPNXBGM-RCCFBDPRSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000186915915 442629727 /nfs/dbraw/zinc/62/97/27/442629727.db2.gz XIHTXCSANMJRLJ-IRXDYDNUSA-N 2 0 340.512 1.376 20 0 EDADRP CC1(CO)CC[NH+](CC2(C[NH+]3CCC(C)(CO)CC3)COC2)CC1 ZINC000186937346 442633719 /nfs/dbraw/zinc/63/37/19/442633719.db2.gz HBRITSDLGDHEJA-UHFFFAOYSA-N 2 0 340.508 1.192 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2CN2CCOCC2)CC1 ZINC000192747902 442683103 /nfs/dbraw/zinc/68/31/03/442683103.db2.gz JWTQJXKDOBTJIW-LJQANCHMSA-N 2 0 338.540 1.199 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000192824183 442689750 /nfs/dbraw/zinc/68/97/50/442689750.db2.gz AKMCEPHUXXBPDU-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000192537709 442659959 /nfs/dbraw/zinc/65/99/59/442659959.db2.gz RXDJPZOYWZFNKR-QRVBRYPASA-N 2 0 327.472 1.919 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000192594668 442667036 /nfs/dbraw/zinc/66/70/36/442667036.db2.gz MPHPDFASSSNPCP-INIZCTEOSA-N 2 0 329.510 1.362 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C[C@H](C)O1 ZINC000188135369 442715275 /nfs/dbraw/zinc/71/52/75/442715275.db2.gz SIKYQXBZPOOZCJ-KBPBESRZSA-N 2 0 335.448 1.700 20 0 EDADRP C[NH+](C[C@@H]1CCC[C@@H]1O)CC1(C[N@H+](C)C[C@@H]2CCC[C@@H]2O)COC1 ZINC000182364638 442760695 /nfs/dbraw/zinc/76/06/95/442760695.db2.gz INOQEHDYSNMKCI-XSLAGTTESA-N 2 0 340.508 1.189 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000246726499 442807647 /nfs/dbraw/zinc/80/76/47/442807647.db2.gz XYDDTHNVDJGJMH-ROUUACIJSA-N 2 0 332.492 1.465 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000247091225 442834279 /nfs/dbraw/zinc/83/42/79/442834279.db2.gz PUDODBGPVLEPQC-SJORKVTESA-N 2 0 338.496 1.225 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)NC(=O)NC3CCCCC3)CC[C@H]21 ZINC000247495228 442858082 /nfs/dbraw/zinc/85/80/82/442858082.db2.gz ZYXASDZAJOZTID-GOEBONIOSA-N 2 0 336.480 1.561 20 0 EDADRP COCCC[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000194574900 442916193 /nfs/dbraw/zinc/91/61/93/442916193.db2.gz OJBWWUXSOBFYSO-UHFFFAOYSA-N 2 0 347.503 1.998 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH+]3CC[C@@H](CO)C3)CC2)cc1 ZINC000265829038 442937218 /nfs/dbraw/zinc/93/72/18/442937218.db2.gz LYTZZPBYMVQURG-LJQANCHMSA-N 2 0 345.487 1.344 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000268394226 442973803 /nfs/dbraw/zinc/97/38/03/442973803.db2.gz QIHCLIKAEZLKCI-MAUKXSAKSA-N 2 0 348.491 1.719 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000184611844 443048915 /nfs/dbraw/zinc/04/89/15/443048915.db2.gz ARHRDHUPGDIKID-DOTOQJQBSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@@H](CN2CCOCC2)C1 ZINC000266211291 443058806 /nfs/dbraw/zinc/05/88/06/443058806.db2.gz JSSDMRSQDYJAAS-HNNXBMFYSA-N 2 0 341.415 1.062 20 0 EDADRP O=C(c1ccc(-n2ccnc2)nc1)N1CC[C@H](CN2CCOCC2)C1 ZINC000266211296 443058947 /nfs/dbraw/zinc/05/89/47/443058947.db2.gz JSSDMRSQDYJAAS-OAHLLOKOSA-N 2 0 341.415 1.062 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000236630718 443140932 /nfs/dbraw/zinc/14/09/32/443140932.db2.gz CTCMKFUVCRDZSO-ROUUACIJSA-N 2 0 331.460 1.258 20 0 EDADRP CC[C@@H](O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268907131 443143165 /nfs/dbraw/zinc/14/31/65/443143165.db2.gz ZOYLDMCNZFYOPM-QGZVFWFLSA-N 2 0 349.479 1.054 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000266578919 443174562 /nfs/dbraw/zinc/17/45/62/443174562.db2.gz WZDPTIBIEHEZGS-AWEZNQCLSA-N 2 0 342.509 1.618 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000261979769 443177115 /nfs/dbraw/zinc/17/71/15/443177115.db2.gz RFWFAUKVVODFPI-UAGQMJEPSA-N 2 0 334.464 1.622 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000268935474 443151384 /nfs/dbraw/zinc/15/13/84/443151384.db2.gz YNUMMVDTCIKGMG-KBXCAEBGSA-N 2 0 332.448 1.745 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000268936153 443152593 /nfs/dbraw/zinc/15/25/93/443152593.db2.gz YQXQGWDWPZFIIZ-MNEFBYGVSA-N 2 0 328.460 1.954 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCOCC1 ZINC000245642826 443242216 /nfs/dbraw/zinc/24/22/16/443242216.db2.gz ZKTYVKQBSVKXGB-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707254 443208136 /nfs/dbraw/zinc/20/81/36/443208136.db2.gz NFZAEFJQWPAADV-IRXDYDNUSA-N 2 0 346.475 1.128 20 0 EDADRP CC(C)N(C)c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000190952782 443214129 /nfs/dbraw/zinc/21/41/29/443214129.db2.gz GGNSSKXYAMWIDL-KRWDZBQOSA-N 2 0 333.524 1.899 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269248002 443249718 /nfs/dbraw/zinc/24/97/18/443249718.db2.gz WHBXIVBAKHJKKO-QGZVFWFLSA-N 2 0 349.475 1.402 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414671154 319339218 /nfs/dbraw/zinc/33/92/18/319339218.db2.gz FLCCBKPBRYEVKW-KZNAEPCWSA-N 2 0 336.524 1.393 20 0 EDADRP C[N@H+](CCOc1cccc(Cl)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681048 319341202 /nfs/dbraw/zinc/34/12/02/319341202.db2.gz OCEOROJBGIAUSV-CQSZACIVSA-N 2 0 339.867 1.848 20 0 EDADRP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414776586 319343868 /nfs/dbraw/zinc/34/38/68/319343868.db2.gz FTHTUWHWSGXTPJ-AWEZNQCLSA-N 2 0 338.883 1.942 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000414993894 319344526 /nfs/dbraw/zinc/34/45/26/319344526.db2.gz UUMMBYHBUDVBMK-MRXNPFEDSA-N 2 0 346.475 1.439 20 0 EDADRP C[NH+](C)CCOCCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415958263 319384795 /nfs/dbraw/zinc/38/47/95/319384795.db2.gz WPTANVYHNAKXMT-UHFFFAOYSA-N 2 0 348.369 1.864 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cc1 ZINC000415971140 319386120 /nfs/dbraw/zinc/38/61/20/319386120.db2.gz JMDMAXVOAKSVDS-KRWDZBQOSA-N 2 0 334.464 1.981 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000415972507 319387029 /nfs/dbraw/zinc/38/70/29/319387029.db2.gz MQBSMOOVKPEJOO-HNNXBMFYSA-N 2 0 348.491 1.963 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415990893 319387964 /nfs/dbraw/zinc/38/79/64/319387964.db2.gz DSPBXZZNAZKSKW-RNJOBUHISA-N 2 0 338.418 1.932 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000416950213 319483660 /nfs/dbraw/zinc/48/36/60/319483660.db2.gz HVZRIMZJFSFIFH-HZPDHXFCSA-N 2 0 326.485 1.175 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000418414310 319500052 /nfs/dbraw/zinc/50/00/52/319500052.db2.gz RMQYIRAHUZNHIO-UKRRQHHQSA-N 2 0 333.436 1.049 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000418875153 319527091 /nfs/dbraw/zinc/52/70/91/319527091.db2.gz VVIUDENQLIXXPW-INIZCTEOSA-N 2 0 340.512 1.056 20 0 EDADRP Nc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000272654126 443397596 /nfs/dbraw/zinc/39/75/96/443397596.db2.gz FTMDUWSYQPJIPJ-UHFFFAOYSA-N 2 0 339.443 1.606 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000422933128 319739041 /nfs/dbraw/zinc/73/90/41/319739041.db2.gz HCAVVSMBSRXLRG-CVEARBPZSA-N 2 0 325.478 1.213 20 0 EDADRP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC(=O)NCC[NH+]3CCCCCC3)C[C@H]2C1 ZINC000425343107 319832200 /nfs/dbraw/zinc/83/22/00/319832200.db2.gz BUSZEXHSACEIPQ-KNCDZKKRSA-N 2 0 337.508 1.772 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000432509859 319954734 /nfs/dbraw/zinc/95/47/34/319954734.db2.gz OQFWSBCQUASVHZ-MAUKXSAKSA-N 2 0 330.476 1.556 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433373814 319978479 /nfs/dbraw/zinc/97/84/79/319978479.db2.gz HKVDETIMRZRCRP-HOTGVXAUSA-N 2 0 342.447 1.235 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000439351732 320045800 /nfs/dbraw/zinc/04/58/00/320045800.db2.gz WQUSUCPGFPGESH-OAHLLOKOSA-N 2 0 346.475 1.548 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000449754749 320205577 /nfs/dbraw/zinc/20/55/77/320205577.db2.gz RNLKQBFFCYWABL-QGZVFWFLSA-N 2 0 330.476 1.304 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC(O)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453389387 320263514 /nfs/dbraw/zinc/26/35/14/320263514.db2.gz XNJKAIXBIZPKAP-MRXNPFEDSA-N 2 0 335.492 1.734 20 0 EDADRP C[C@@H]1CN(CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457143375 320320592 /nfs/dbraw/zinc/32/05/92/320320592.db2.gz ZQOFPSAKJBEXCY-QGZVFWFLSA-N 2 0 345.487 1.811 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@H]2CC[NH+](C(C)C)C2)C1 ZINC000457500498 320328464 /nfs/dbraw/zinc/32/84/64/320328464.db2.gz CAMKWCHADYSCPS-IRXDYDNUSA-N 2 0 340.512 1.467 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458804246 320342233 /nfs/dbraw/zinc/34/22/33/320342233.db2.gz GCVWXTNWHSGQPY-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000286287240 443683623 /nfs/dbraw/zinc/68/36/23/443683623.db2.gz HJFKVTHEMGJBLJ-IRXDYDNUSA-N 2 0 328.416 1.660 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C=Cc2c[nH]cn2)CC1 ZINC000492867361 320389916 /nfs/dbraw/zinc/38/99/16/320389916.db2.gz REDTZDQAXHEFJA-ILNYKDOHSA-N 2 0 331.464 1.440 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000516312223 320435221 /nfs/dbraw/zinc/43/52/21/320435221.db2.gz BPNCKGIVDXTRMB-IEBWSBKVSA-N 2 0 331.460 1.252 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@H]1C ZINC000530317750 320620346 /nfs/dbraw/zinc/62/03/46/320620346.db2.gz OVCTYNDZSSQESV-ULQDDVLXSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C(=O)NC(N)=O ZINC000298891869 443894999 /nfs/dbraw/zinc/89/49/99/443894999.db2.gz XEGPPMRUUCFZQI-KGLIPLIRSA-N 2 0 332.448 1.592 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCc1ccccc1)N(C)CCC[NH+]1CCCC1 ZINC000281308590 443875311 /nfs/dbraw/zinc/87/53/11/443875311.db2.gz KLBQCNZOYBWKAZ-INIZCTEOSA-N 2 0 346.475 1.819 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293010626 443901301 /nfs/dbraw/zinc/90/13/01/443901301.db2.gz PRCLGFKCDQQDEW-AZUAARDMSA-N 2 0 348.487 1.990 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000288798816 443985825 /nfs/dbraw/zinc/98/58/25/443985825.db2.gz IMCCCEYSJVHRDQ-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000557305991 321002201 /nfs/dbraw/zinc/00/22/01/321002201.db2.gz GIIPFMIRFQBODD-MRXNPFEDSA-N 2 0 340.512 1.055 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000557463078 321004636 /nfs/dbraw/zinc/00/46/36/321004636.db2.gz IGFPYLORWGKIAG-CYBMUJFWSA-N 2 0 345.443 1.809 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]CC2(O)CCCC2)CC1 ZINC000562989666 321085876 /nfs/dbraw/zinc/08/58/76/321085876.db2.gz PTTNKZFLTUUKMU-UHFFFAOYSA-N 2 0 325.497 1.508 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000564860485 321152702 /nfs/dbraw/zinc/15/27/02/321152702.db2.gz PLEBUBSSDYZBIV-GXTWGEPZSA-N 2 0 343.393 1.289 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1C[NH2+]C[C@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000564991852 321163291 /nfs/dbraw/zinc/16/32/91/321163291.db2.gz PBDGQEKFHWZPRF-OAGGEKHMSA-N 2 0 345.491 1.229 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565184014 321174447 /nfs/dbraw/zinc/17/44/47/321174447.db2.gz ZQCZCCAQMMYBKD-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000565597731 321192681 /nfs/dbraw/zinc/19/26/81/321192681.db2.gz UOESSJNNFGVHEY-KRWDZBQOSA-N 2 0 334.464 1.222 20 0 EDADRP CC1CCC(O)(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000566119001 321217811 /nfs/dbraw/zinc/21/78/11/321217811.db2.gz NAEHFLNGIXKYGA-UHFFFAOYSA-N 2 0 339.524 1.314 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CC3(C[NH3+])CCCCC3)C2)nn1 ZINC000566212817 321222768 /nfs/dbraw/zinc/22/27/68/321222768.db2.gz HUQROUVRFOVZKY-OAHLLOKOSA-N 2 0 334.468 1.200 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCCC[C@H]1CNC(=O)c1ccccc1 ZINC000567120659 321241631 /nfs/dbraw/zinc/24/16/31/321241631.db2.gz IKKRFIMDJMZOMA-ZWKOTPCHSA-N 2 0 333.476 1.584 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000567896435 321267185 /nfs/dbraw/zinc/26/71/85/321267185.db2.gz LVSBENDWNHAGEY-UHFFFAOYSA-N 2 0 330.476 1.128 20 0 EDADRP CC(C)CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](C)CC1 ZINC000568898801 321311070 /nfs/dbraw/zinc/31/10/70/321311070.db2.gz MIXLPFVBHFNKKX-UHFFFAOYSA-N 2 0 335.496 1.637 20 0 EDADRP COc1ccccc1CCNC(=O)CNC1CC[NH+](CC2CC2)CC1 ZINC000568946003 321311398 /nfs/dbraw/zinc/31/13/98/321311398.db2.gz XUXBIWMBLIGBFF-UHFFFAOYSA-N 2 0 345.487 1.818 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000570562034 321347758 /nfs/dbraw/zinc/34/77/58/321347758.db2.gz HWWBLSKAFNHTBQ-QKPAOTATSA-N 2 0 329.510 1.311 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000570570173 321348538 /nfs/dbraw/zinc/34/85/38/321348538.db2.gz RMDJAACJEKADJX-QWHCGFSZSA-N 2 0 333.480 1.566 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC2CC[NH2+]CC2)c2ccccc2)CC1 ZINC000570923760 321363168 /nfs/dbraw/zinc/36/31/68/321363168.db2.gz SMIWBEWOTRBFCR-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)CC1 ZINC000570938506 321364937 /nfs/dbraw/zinc/36/49/37/321364937.db2.gz GCAHUXUURLWUJF-SFHVURJKSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]CC2(O)CCS(=O)(=O)CC2)C1 ZINC000570955794 321366734 /nfs/dbraw/zinc/36/67/34/321366734.db2.gz HVMKHPPGMASBFA-IYBDPMFKSA-N 2 0 346.537 1.274 20 0 EDADRP C[C@@H](C(=O)NC12CC3CC(CC(C3)C1)C2)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000571660029 321395595 /nfs/dbraw/zinc/39/55/95/321395595.db2.gz DPGZHPADNGJIFC-IILDEKEXSA-N 2 0 335.492 1.246 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000285800544 444112120 /nfs/dbraw/zinc/11/21/20/444112120.db2.gz QFDZWOIXOOJGFQ-ZWKOTPCHSA-N 2 0 333.476 1.434 20 0 EDADRP CO[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000282235823 444122999 /nfs/dbraw/zinc/12/29/99/444122999.db2.gz FVAVIOYBMBACPD-CGTJXYLNSA-N 2 0 333.476 1.905 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2cccnc12 ZINC000299729432 444125826 /nfs/dbraw/zinc/12/58/26/444125826.db2.gz VXIOCXKJKDMAAT-HNNXBMFYSA-N 2 0 344.463 1.217 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[nH]c1C ZINC000295264056 444174120 /nfs/dbraw/zinc/17/41/20/444174120.db2.gz VFFPJQZNTYICJW-AWEZNQCLSA-N 2 0 336.480 1.473 20 0 EDADRP Cc1ccncc1CCCNc1cnn(CCN2CCOCC2)c1 ZINC000290230957 444256760 /nfs/dbraw/zinc/25/67/60/444256760.db2.gz FXHUVGYVHSPHCM-UHFFFAOYSA-N 2 0 329.448 1.963 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)Cc1ccccc1 ZINC000289997394 444228507 /nfs/dbraw/zinc/22/85/07/444228507.db2.gz RMGPDZBJMZKDKA-IAGOWNOFSA-N 2 0 349.475 1.336 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCCC[C@H]2C)CC1 ZINC000303249313 444234878 /nfs/dbraw/zinc/23/48/78/444234878.db2.gz FEJVBBUTTWCLGG-HZPDHXFCSA-N 2 0 325.497 1.412 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000290053117 444235960 /nfs/dbraw/zinc/23/59/60/444235960.db2.gz FFOQYCNXYBMFPY-ZWKOTPCHSA-N 2 0 333.476 1.877 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@H](C)O1 ZINC000303379876 444236832 /nfs/dbraw/zinc/23/68/32/444236832.db2.gz QMJXOZHFFOQIRV-SOLBZPMBSA-N 2 0 342.524 1.984 20 0 EDADRP CCO[C@H](CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C1CCCC1 ZINC000577216142 321633592 /nfs/dbraw/zinc/63/35/92/321633592.db2.gz GELMBQUJQWHFED-QZTJIDSGSA-N 2 0 327.513 1.170 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC(C)(C)CC2)C1 ZINC000303956515 444238114 /nfs/dbraw/zinc/23/81/14/444238114.db2.gz XOAUZAMVZGFNRF-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000290698456 444312305 /nfs/dbraw/zinc/31/23/05/444312305.db2.gz SLIWBWNKVMKYCQ-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000577948161 321697931 /nfs/dbraw/zinc/69/79/31/321697931.db2.gz PRWBAEYJTVHRHU-IEBWSBKVSA-N 2 0 349.519 1.577 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CO2 ZINC000297787805 444334544 /nfs/dbraw/zinc/33/45/44/444334544.db2.gz PVVBYUVYKUWQGB-QGZVFWFLSA-N 2 0 333.476 1.616 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000327436563 444382039 /nfs/dbraw/zinc/38/20/39/444382039.db2.gz PYPYQYVQLSWCOC-UHFFFAOYSA-N 2 0 348.495 1.395 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000580540582 322063385 /nfs/dbraw/zinc/06/33/85/322063385.db2.gz ARRQQYSBPFOZSV-UHFFFAOYSA-N 2 0 336.480 1.050 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000580656081 322079081 /nfs/dbraw/zinc/07/90/81/322079081.db2.gz IRSLAGWTDPOKST-XLNGHYISSA-N 2 0 333.863 1.853 20 0 EDADRP COC[C@]1(CN[C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708954 322085304 /nfs/dbraw/zinc/08/53/04/322085304.db2.gz VDAGWBCSZHWONC-BHIYHBOVSA-N 2 0 331.460 1.601 20 0 EDADRP OC(C[NH+]1CCCC[C@H]1C1(O)CC1)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000580818993 322099088 /nfs/dbraw/zinc/09/90/88/322099088.db2.gz IBGNSEVXUFVFTD-IRXDYDNUSA-N 2 0 338.492 1.106 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000580902569 322111065 /nfs/dbraw/zinc/11/10/65/322111065.db2.gz KGYSITLPKZWXGM-MJBXVCDLSA-N 2 0 343.518 1.618 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000581020449 322125767 /nfs/dbraw/zinc/12/57/67/322125767.db2.gz JWFBPOIPEKYGAM-INIZCTEOSA-N 2 0 330.476 1.714 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000581138517 322140986 /nfs/dbraw/zinc/14/09/86/322140986.db2.gz MZUNHUWSZUYMSS-QZTJIDSGSA-N 2 0 331.460 1.546 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3F)CC2)CC1 ZINC000581186026 322146364 /nfs/dbraw/zinc/14/63/64/322146364.db2.gz KKQIWEOAJLKAMW-HNNXBMFYSA-N 2 0 339.430 1.194 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000581953746 322238096 /nfs/dbraw/zinc/23/80/96/322238096.db2.gz XNWZODDRZIRPIG-CVEARBPZSA-N 2 0 325.522 1.757 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000332594889 444520900 /nfs/dbraw/zinc/52/09/00/444520900.db2.gz GLHGDUSJTRRWRY-HZPDHXFCSA-N 2 0 329.510 1.405 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@H]1C(F)F ZINC000338123135 444525888 /nfs/dbraw/zinc/52/58/88/444525888.db2.gz WXSFDGOXDGHPNQ-LSDHHAIUSA-N 2 0 338.402 1.611 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000340830790 444532318 /nfs/dbraw/zinc/53/23/18/444532318.db2.gz ZZDROTPJWAEEHY-MRXNPFEDSA-N 2 0 328.501 1.184 20 0 EDADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000329319023 444532986 /nfs/dbraw/zinc/53/29/86/444532986.db2.gz SZAZKXSZJBWVHX-TXEJJXNPSA-N 2 0 330.436 1.387 20 0 EDADRP CCCCNC(=O)CC[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000341015382 444633317 /nfs/dbraw/zinc/63/33/17/444633317.db2.gz OOLGXMFLAMMIJL-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000342260957 444596783 /nfs/dbraw/zinc/59/67/83/444596783.db2.gz QBDHUKABDBYINT-ZWKOTPCHSA-N 2 0 333.476 1.327 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000341047518 444651090 /nfs/dbraw/zinc/65/10/90/444651090.db2.gz KEYMEXQZMHTTNU-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000338333869 444639602 /nfs/dbraw/zinc/63/96/02/444639602.db2.gz YOLDUDRXFRKPTG-KFWWJZLASA-N 2 0 328.501 1.514 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2CC[NH+](CCOC)C2)C1 ZINC000341159688 444702874 /nfs/dbraw/zinc/70/28/74/444702874.db2.gz JGKPGDAGVDJCTP-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000329781425 444714937 /nfs/dbraw/zinc/71/49/37/444714937.db2.gz NGRGZEOEWWVSPX-BZUAXINKSA-N 2 0 336.480 1.566 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC[N@@H+]1C ZINC000341188394 444718530 /nfs/dbraw/zinc/71/85/30/444718530.db2.gz DAIFKKQJGQBQHA-JKSUJKDBSA-N 2 0 333.480 1.638 20 0 EDADRP C[N@H+](CCNC(=O)NCCN1CCOC(C)(C)C1)C1CCCCC1 ZINC000338493418 444721068 /nfs/dbraw/zinc/72/10/68/444721068.db2.gz FVTJUKGKIUEUQL-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333946519 444725817 /nfs/dbraw/zinc/72/58/17/444725817.db2.gz USEDECSVEFXNTC-XHSDSOJGSA-N 2 0 340.512 1.421 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000333946309 444726306 /nfs/dbraw/zinc/72/63/06/444726306.db2.gz UMRFRCAUMNEWGD-RBSFLKMASA-N 2 0 326.485 1.031 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000341204603 444727765 /nfs/dbraw/zinc/72/77/65/444727765.db2.gz PWMOMWYKTLZMOE-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(=O)OC ZINC000343955100 444692230 /nfs/dbraw/zinc/69/22/30/444692230.db2.gz SUPNSPYICTVVPQ-CABCVRRESA-N 2 0 327.469 1.060 20 0 EDADRP [NH3+]Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000344102542 444782243 /nfs/dbraw/zinc/78/22/43/444782243.db2.gz OSRADMIXNRKHJL-UHFFFAOYSA-N 2 0 325.416 1.582 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000342631761 444787849 /nfs/dbraw/zinc/78/78/49/444787849.db2.gz CNAUADPJOZYYNZ-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000344223030 444847589 /nfs/dbraw/zinc/84/75/89/444847589.db2.gz YSAUCBKRUVGYET-UHFFFAOYSA-N 2 0 332.473 1.999 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000342766473 444856230 /nfs/dbraw/zinc/85/62/30/444856230.db2.gz VGZSZFXHKNUUQQ-MAUKXSAKSA-N 2 0 333.476 1.674 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000341606296 444917591 /nfs/dbraw/zinc/91/75/91/444917591.db2.gz IQAMCVSACCKJEI-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H](C)C[NH+]2CCOCC2)CC1 ZINC000341647531 444931963 /nfs/dbraw/zinc/93/19/63/444931963.db2.gz VSFWFMDYTGBYSN-KRWDZBQOSA-N 2 0 339.524 1.925 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCN2CCO[C@H](C)C2)CC1 ZINC000337242938 445000342 /nfs/dbraw/zinc/00/03/42/445000342.db2.gz HALFUNBTFQFVIG-QGZVFWFLSA-N 2 0 327.513 1.530 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000343029679 445015887 /nfs/dbraw/zinc/01/58/87/445015887.db2.gz UBKHZAZVJOXERI-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP NC(=O)C[C@@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339137995 445052132 /nfs/dbraw/zinc/05/21/32/445052132.db2.gz YBKKOWSJJBNHTL-XFCCUVRLSA-N 2 0 336.480 1.002 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000341946011 445086968 /nfs/dbraw/zinc/08/69/68/445086968.db2.gz HVJUNAHRSCNLSQ-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000330716345 445108949 /nfs/dbraw/zinc/10/89/49/445108949.db2.gz UFNIRRMLFUCLJE-AWEZNQCLSA-N 2 0 336.484 1.639 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337513451 445112965 /nfs/dbraw/zinc/11/29/65/445112965.db2.gz NXPPOAACWVMJRI-MRXNPFEDSA-N 2 0 335.496 1.885 20 0 EDADRP C[C@@H](Cn1ccnc1)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000337524191 445119605 /nfs/dbraw/zinc/11/96/05/445119605.db2.gz ALACBHRMIDJISG-SOUVJXGZSA-N 2 0 337.468 1.459 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C)(C)CC2)C1 ZINC000339259961 445121571 /nfs/dbraw/zinc/12/15/71/445121571.db2.gz SQUYWPJMKRBRRJ-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000343269892 445171348 /nfs/dbraw/zinc/17/13/48/445171348.db2.gz CSYMDEGZLHFPLT-YZGWKJHDSA-N 2 0 330.520 1.905 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342101 445205489 /nfs/dbraw/zinc/20/54/89/445205489.db2.gz ULACLOCPPWNIRR-ROUUACIJSA-N 2 0 330.476 1.104 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H](C)C[NH+](C)C)cc2)CC1 ZINC000346146712 445206904 /nfs/dbraw/zinc/20/69/04/445206904.db2.gz VVJRQCLDFLEZPA-MRXNPFEDSA-N 2 0 332.492 1.897 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2CCO[C@H]2c2ccnn2C)CC1 ZINC000343374853 445212176 /nfs/dbraw/zinc/21/21/76/445212176.db2.gz UTOVTVUYFIEHLL-PKOBYXMFSA-N 2 0 349.523 1.505 20 0 EDADRP CC[C@H](C)NC(=O)CN(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000346941807 445228483 /nfs/dbraw/zinc/22/84/83/445228483.db2.gz WBKLZCFVRDOYQX-MPGHIAIKSA-N 2 0 335.496 1.650 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000343504566 445235483 /nfs/dbraw/zinc/23/54/83/445235483.db2.gz GDYCYBMOOUWYHL-ZIAGYGMSSA-N 2 0 339.823 1.093 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCC[N@H+](C)C2CCCC2)[NH+](C)C1 ZINC000347083814 445231355 /nfs/dbraw/zinc/23/13/55/445231355.db2.gz CYDMKPPZKYHFIA-CVEARBPZSA-N 2 0 326.485 1.221 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000343564090 445244676 /nfs/dbraw/zinc/24/46/76/445244676.db2.gz GXHGQLBYBYHIHS-SJLPKXTDSA-N 2 0 331.508 1.653 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000343583330 445251416 /nfs/dbraw/zinc/25/14/16/445251416.db2.gz YSWKERCPWCKEOD-QGZVFWFLSA-N 2 0 345.491 1.438 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000347887451 445253867 /nfs/dbraw/zinc/25/38/67/445253867.db2.gz HYCZDQJFAXQMSE-ATLSCFEFSA-N 2 0 337.508 1.815 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)[C@@H]1CCC[NH+]1C ZINC000347901159 445254800 /nfs/dbraw/zinc/25/48/00/445254800.db2.gz NBJSEBYEAWQZLU-XIRDDKMYSA-N 2 0 333.480 1.356 20 0 EDADRP Cc1cnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)nc1N[C@@H]1CCC[NH+](C)[C@H]1C ZINC000343600372 445258388 /nfs/dbraw/zinc/25/83/88/445258388.db2.gz KCICFQZEFITBHL-YLFCFFPRSA-N 2 0 346.523 2.574 20 0 EDADRP C[C@H](NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000351753137 445308396 /nfs/dbraw/zinc/30/83/96/445308396.db2.gz DJORTLLCRHCIAF-RRFJBIMHSA-N 2 0 340.512 1.068 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](CC)C2)C1 ZINC000351768502 445314687 /nfs/dbraw/zinc/31/46/87/445314687.db2.gz WMTBYAAMQIEMKF-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348377385 445270975 /nfs/dbraw/zinc/27/09/75/445270975.db2.gz MRHGPUQVYNZBGW-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000351738943 445301194 /nfs/dbraw/zinc/30/11/94/445301194.db2.gz SVKXFFYMSOGINT-ULQDDVLXSA-N 2 0 339.528 1.137 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000351815903 445331574 /nfs/dbraw/zinc/33/15/74/445331574.db2.gz STRPTJYHQVIWRV-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1ccccc1CCNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357071351 445407407 /nfs/dbraw/zinc/40/74/07/445407407.db2.gz GLWBVJQDSKTUIC-LJQANCHMSA-N 2 0 329.488 1.975 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCNC2=O)CC1)CC1CC1 ZINC000357084739 445417156 /nfs/dbraw/zinc/41/71/56/445417156.db2.gz MMUIXVKTCVWUGX-UHFFFAOYSA-N 2 0 336.480 1.372 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Cc3cccnc3)CC2)CC1 ZINC000357019810 445378719 /nfs/dbraw/zinc/37/87/19/445378719.db2.gz DEABKEYNARIEPJ-UHFFFAOYSA-N 2 0 344.503 1.937 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000359872210 445469796 /nfs/dbraw/zinc/46/97/96/445469796.db2.gz GSFDHWFEEULXAF-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000362749749 445530955 /nfs/dbraw/zinc/53/09/55/445530955.db2.gz CXMAOLZKWBVWMR-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP O=C1CNCCN1[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3o2)C1 ZINC000362671111 445490999 /nfs/dbraw/zinc/49/09/99/445490999.db2.gz KREOPDCCEYMIQD-HNNXBMFYSA-N 2 0 331.391 1.968 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3[C@@H](C)CC[NH2+][C@H]3C)cc2)CC1 ZINC000357304858 445537362 /nfs/dbraw/zinc/53/73/62/445537362.db2.gz SCZHODWYFKVEED-TXPKVOOTSA-N 2 0 344.503 1.945 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@]34C[NH2+]C[C@H]3CCCC4)CC2)c1 ZINC000357249734 445506658 /nfs/dbraw/zinc/50/66/58/445506658.db2.gz SNZHRGJXYILVPZ-DNVCBOLYSA-N 2 0 344.459 1.519 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CCn3cncc3C2)CC1 ZINC000362788361 445550443 /nfs/dbraw/zinc/55/04/43/445550443.db2.gz PMBVTJMPRIIAEE-AWEZNQCLSA-N 2 0 342.447 1.938 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000362808965 445559308 /nfs/dbraw/zinc/55/93/08/445559308.db2.gz NADRUFBHTMLIBP-HZPDHXFCSA-N 2 0 331.464 1.508 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362856365 445582845 /nfs/dbraw/zinc/58/28/45/445582845.db2.gz QUQWVDLMBNQKSG-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360135424 445587735 /nfs/dbraw/zinc/58/77/35/445587735.db2.gz JHVSKJOFTVAKKC-OAHLLOKOSA-N 2 0 328.501 1.250 20 0 EDADRP CSC1(CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[NH+](C)CC1 ZINC000357995645 445598648 /nfs/dbraw/zinc/59/86/48/445598648.db2.gz VEULPNSDSFTIFN-HNNXBMFYSA-N 2 0 342.553 1.987 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000362993060 445641703 /nfs/dbraw/zinc/64/17/03/445641703.db2.gz CNKICRXEGIMBGB-WMZOPIPTSA-N 2 0 347.507 1.933 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2c(c1)NC(=O)CO2 ZINC000353500056 445631860 /nfs/dbraw/zinc/63/18/60/445631860.db2.gz FLSUYKOYKUVFEY-UHFFFAOYSA-N 2 0 332.448 1.087 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660469 445637881 /nfs/dbraw/zinc/63/78/81/445637881.db2.gz BZBLLKIPJVKATB-ZWKOTPCHSA-N 2 0 348.491 1.179 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000360146909 445594931 /nfs/dbraw/zinc/59/49/31/445594931.db2.gz DZNIXURGDQDAAC-HNAYVOBHSA-N 2 0 345.487 1.816 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ncc(Cl)s2)CC1 ZINC000349668841 445642911 /nfs/dbraw/zinc/64/29/11/445642911.db2.gz ORGPPNFTJNRBGD-UHFFFAOYSA-N 2 0 332.901 1.276 20 0 EDADRP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH+]1CCN(C)CC1 ZINC000358646509 445692907 /nfs/dbraw/zinc/69/29/07/445692907.db2.gz IPVONOBTSOWXFN-KRWDZBQOSA-N 2 0 338.540 1.498 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NCC[N@H+](C)C1CC1 ZINC000358650681 445694572 /nfs/dbraw/zinc/69/45/72/445694572.db2.gz POCZFZTWUJQNTO-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000358652171 445695470 /nfs/dbraw/zinc/69/54/70/445695470.db2.gz SGFYRYSQFATKPP-QGZVFWFLSA-N 2 0 336.480 1.002 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360328390 445696453 /nfs/dbraw/zinc/69/64/53/445696453.db2.gz FVXYOSWJSYGVPO-NVXWUHKLSA-N 2 0 339.505 1.426 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000353688337 445708121 /nfs/dbraw/zinc/70/81/21/445708121.db2.gz XDFWYFBMXZMNCM-UHFFFAOYSA-N 2 0 344.503 1.131 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938968 445728369 /nfs/dbraw/zinc/72/83/69/445728369.db2.gz VSZPYYNYRURAHU-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@]2(O)CC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000358721499 445742174 /nfs/dbraw/zinc/74/21/74/445742174.db2.gz NIDCXJCGWASPEC-AYBZRNKSSA-N 2 0 346.475 1.015 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000353802236 445763203 /nfs/dbraw/zinc/76/32/03/445763203.db2.gz LSVCUQAZLSZNAR-IBGZPJMESA-N 2 0 347.503 1.729 20 0 EDADRP CCNC(=O)NC(=O)C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000358773440 445768237 /nfs/dbraw/zinc/76/82/37/445768237.db2.gz VFRXZTZNORERBI-UHFFFAOYSA-N 2 0 340.512 1.912 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356480892 445813907 /nfs/dbraw/zinc/81/39/07/445813907.db2.gz QXDGADWXIDYPLN-INIZCTEOSA-N 2 0 334.464 1.513 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@@H]1C ZINC000353927950 445815899 /nfs/dbraw/zinc/81/58/99/445815899.db2.gz JRWHTMAUSIPXBP-VYDXJSESSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C[NH+]1CCN(C)CC1 ZINC000354068090 445884681 /nfs/dbraw/zinc/88/46/81/445884681.db2.gz KNTCJGHUDZOREQ-ZGOKBZQCSA-N 2 0 336.524 1.140 20 0 EDADRP CC(C)CC(=O)N[C@H](Cc1c[nH]cn1)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000354014230 445855994 /nfs/dbraw/zinc/85/59/94/445855994.db2.gz KXZULWWYDMICPZ-HZPDHXFCSA-N 2 0 349.479 1.036 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000364574902 445934076 /nfs/dbraw/zinc/93/40/76/445934076.db2.gz AIZJVNLJJPMWCP-AZUAARDMSA-N 2 0 343.471 1.259 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364852143 445963173 /nfs/dbraw/zinc/96/31/73/445963173.db2.gz SFLNEAQSAZCODU-OAGGEKHMSA-N 2 0 329.488 1.965 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000350987097 445966576 /nfs/dbraw/zinc/96/65/76/445966576.db2.gz KMLNFWDKYWMXNR-CVEARBPZSA-N 2 0 340.512 1.071 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365088795 446016667 /nfs/dbraw/zinc/01/66/67/446016667.db2.gz OHQREXSVOQXFOB-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+][C@H]1CCC[C@@]12CCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000365097460 446021919 /nfs/dbraw/zinc/02/19/19/446021919.db2.gz ZBYCCEWRDHAERQ-WMZOPIPTSA-N 2 0 335.492 1.751 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Cc1ccccc1 ZINC000583495492 326083325 /nfs/dbraw/zinc/08/33/25/326083325.db2.gz IAFNBNDYNGTTCW-UXHICEINSA-N 2 0 333.520 1.699 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000583936077 326169407 /nfs/dbraw/zinc/16/94/07/326169407.db2.gz QUFBEICVHBOPQP-JENIJYKNSA-N 2 0 331.460 1.605 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccc(C(N)=O)c1 ZINC000373153219 446062522 /nfs/dbraw/zinc/06/25/22/446062522.db2.gz LVLYQDHWKVFEHQ-AYOQOUSVSA-N 2 0 345.487 1.807 20 0 EDADRP Cc1nc2ccccc2n1CCC(=O)NC[C@H](C)CN1CCOCC1 ZINC000356841983 446063934 /nfs/dbraw/zinc/06/39/34/446063934.db2.gz ISFKQQHXLMOCQA-HNNXBMFYSA-N 2 0 344.459 1.819 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000584236878 326226618 /nfs/dbraw/zinc/22/66/18/326226618.db2.gz BMHVAEVNSZFSGS-WBVHZDCISA-N 2 0 325.497 1.759 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000584268395 326230614 /nfs/dbraw/zinc/23/06/14/326230614.db2.gz AVWYQZGFRWJUQP-UHFFFAOYSA-N 2 0 346.479 1.550 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](CC(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000351473759 446075955 /nfs/dbraw/zinc/07/59/55/446075955.db2.gz WOUQCFXSCJTBSD-SFHVURJKSA-N 2 0 346.519 1.951 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000361930041 446078430 /nfs/dbraw/zinc/07/84/30/446078430.db2.gz OZNNLXUBYKSXRP-NVXWUHKLSA-N 3 0 338.540 1.543 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](C)C[C@@H]1c1ccccc1 ZINC000351485964 446086218 /nfs/dbraw/zinc/08/62/18/446086218.db2.gz VEQYYRASIXCABZ-NXHRZFHOSA-N 2 0 331.460 1.169 20 0 EDADRP c1ccc(-c2nnn(CCCCC[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)n2)cc1 ZINC000359270626 446108253 /nfs/dbraw/zinc/10/82/53/446108253.db2.gz FPJSBPLLKHVPBS-CALCHBBNSA-N 2 0 326.448 1.662 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@]3(CC[NH+](C)C3)C2)C1 ZINC000366269994 446118493 /nfs/dbraw/zinc/11/84/93/446118493.db2.gz VRJWDWPJZBHGRX-SJLPKXTDSA-N 2 0 338.496 1.080 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCCC[NH+]3CCCCC3)n2)CC1 ZINC000369663770 446142787 /nfs/dbraw/zinc/14/27/87/446142787.db2.gz MWCUZGDCTUUDPC-UHFFFAOYSA-N 2 0 348.495 2.147 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000417338818 446347717 /nfs/dbraw/zinc/34/77/17/446347717.db2.gz KPLYYDDLSUFYQW-LESCRADOSA-N 2 0 328.460 1.437 20 0 EDADRP COCCCN(C(=O)C1CC[NH+](C2CC2)CC1)C1CC[NH+](C)CC1 ZINC000362345958 446328256 /nfs/dbraw/zinc/32/82/56/446328256.db2.gz RKHUWMTZCSQSJQ-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+]1CCC2(CCCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)CC1 ZINC000374149473 446354626 /nfs/dbraw/zinc/35/46/26/446354626.db2.gz AWVPGQOLVLGSJP-GOSISDBHSA-N 2 0 349.519 1.964 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417500448 446356228 /nfs/dbraw/zinc/35/62/28/446356228.db2.gz INWOQVZJTKRGPO-ROUUACIJSA-N 2 0 332.492 1.834 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]1 ZINC000417511790 446358812 /nfs/dbraw/zinc/35/88/12/446358812.db2.gz ZRXLBOCFGYAYMP-SJLPKXTDSA-N 2 0 330.476 1.554 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)C1 ZINC000417899274 446379673 /nfs/dbraw/zinc/37/96/73/446379673.db2.gz YMKOLTQTWGXDSO-AEFFLSMTSA-N 2 0 336.524 1.995 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417907773 446382097 /nfs/dbraw/zinc/38/20/97/446382097.db2.gz HQDAHFXHNUAFKG-IKGGRYGDSA-N 2 0 340.512 1.427 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417907420 446382378 /nfs/dbraw/zinc/38/23/78/446382378.db2.gz FAGOMEWWIQQWAS-KBPBESRZSA-N 2 0 332.439 1.651 20 0 EDADRP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@H]1C ZINC000370682223 446384214 /nfs/dbraw/zinc/38/42/14/446384214.db2.gz MXOIGBMRNRXOKK-KZNAEPCWSA-N 2 0 327.513 1.434 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000365903636 446395065 /nfs/dbraw/zinc/39/50/65/446395065.db2.gz CECZFVXPWKVXPZ-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)CCC(F)(F)F ZINC000418061827 446428099 /nfs/dbraw/zinc/42/80/99/446428099.db2.gz BDEWZWRIMFJXHK-JTQLQIEISA-N 2 0 346.344 1.557 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117762 446428513 /nfs/dbraw/zinc/42/85/13/446428513.db2.gz WZUPAYSSZWWBPG-GWCFXTLKSA-N 2 0 349.859 1.474 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCN1CCOCC1(C)C ZINC000376328078 446431318 /nfs/dbraw/zinc/43/13/18/446431318.db2.gz PEVMFYZTLBHPNK-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418076093 446432372 /nfs/dbraw/zinc/43/23/72/446432372.db2.gz QYBGEJRFBPGRNN-WBVHZDCISA-N 2 0 334.464 1.172 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]C1 ZINC000370779950 446438611 /nfs/dbraw/zinc/43/86/11/446438611.db2.gz MMMOJTAMJVTIOI-ZHALLVOQSA-N 2 0 339.524 1.877 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420268851 446441856 /nfs/dbraw/zinc/44/18/56/446441856.db2.gz HEGPLOIFJAUQCD-SZMVWBNQSA-N 2 0 332.492 1.607 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)N(CC[NH3+])Cc2ccccc2)CC1(C)C ZINC000418180365 446448181 /nfs/dbraw/zinc/44/81/81/446448181.db2.gz YCSAGICGLAOCLQ-UHFFFAOYSA-N 2 0 347.507 1.183 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](C[C@H]2CCCC(F)(F)C2)C1)N1CC[NH2+]CC1 ZINC000420281264 446448624 /nfs/dbraw/zinc/44/86/24/446448624.db2.gz ABYXQOHIQHSNDJ-LSDHHAIUSA-N 2 0 329.435 1.956 20 0 EDADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423188946 446449337 /nfs/dbraw/zinc/44/93/37/446449337.db2.gz ZWZYLBQWSIUPGG-MRXNPFEDSA-N 2 0 332.492 1.311 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCO[C@H]3C[NH2+]C[C@H]32)cc1)C(C)C ZINC000366994159 446450073 /nfs/dbraw/zinc/45/00/73/446450073.db2.gz GXIDQNXIQDADIG-MSOLQXFVSA-N 2 0 331.460 1.730 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCCN(Cc2nc(C(F)(F)F)cs2)C1 ZINC000420284281 446450078 /nfs/dbraw/zinc/45/00/78/446450078.db2.gz CUUOOIGQGKWBJD-VIFPVBQESA-N 2 0 336.383 1.449 20 0 EDADRP CCc1ccc([C@H](CN2CCOCC2)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423204176 446453310 /nfs/dbraw/zinc/45/33/10/446453310.db2.gz NXBKUZKGOLYINC-FQEVSTJZSA-N 2 0 346.519 1.117 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417979585 446405923 /nfs/dbraw/zinc/40/59/23/446405923.db2.gz HORBCCBHWQWPOG-MRXNPFEDSA-N 2 0 348.491 1.740 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982346 446406407 /nfs/dbraw/zinc/40/64/07/446406407.db2.gz AAQCONAKNDMWKI-FUHWJXTLSA-N 2 0 348.491 1.432 20 0 EDADRP COc1cc(NC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)ncn1 ZINC000376270577 446407742 /nfs/dbraw/zinc/40/77/42/446407742.db2.gz PXPSXDWHPREARP-ZDUSSCGKSA-N 2 0 348.451 1.117 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000417994454 446409997 /nfs/dbraw/zinc/40/99/97/446409997.db2.gz YZMIMDYOLHTLQN-BPQIPLTHSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012647 446415490 /nfs/dbraw/zinc/41/54/90/446415490.db2.gz SJLMYSWHAQGMDP-WBAXXEDZSA-N 2 0 330.476 1.934 20 0 EDADRP CCn1cncc1C[N@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000418020893 446417140 /nfs/dbraw/zinc/41/71/40/446417140.db2.gz OKSNZBRHSWXQGT-GJZGRUSLSA-N 2 0 334.443 1.681 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418017697 446417840 /nfs/dbraw/zinc/41/78/40/446417840.db2.gz SWSLQXGMGCKQRV-AHCXZYCDSA-N 2 0 330.476 1.886 20 0 EDADRP COCC1(CNC(=O)NCC2(C[NH+](C)C)CCCC2)CC[NH2+]CC1 ZINC000418028834 446419976 /nfs/dbraw/zinc/41/99/76/446419976.db2.gz QNVAUQKNNAIUNF-UHFFFAOYSA-N 2 0 340.512 1.424 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000418032054 446421259 /nfs/dbraw/zinc/42/12/59/446421259.db2.gz UPGQZPXZNWDJMQ-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP CN(C(=O)NC1CCSCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376319812 446426476 /nfs/dbraw/zinc/42/64/76/446426476.db2.gz QZTVZEAAEAAAKF-MRXNPFEDSA-N 2 0 340.537 1.692 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376365725 446456508 /nfs/dbraw/zinc/45/65/08/446456508.db2.gz HCCCEWGICMILGO-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000420306188 446469687 /nfs/dbraw/zinc/46/96/87/446469687.db2.gz AAISTPXVCDOAAL-VQIMIIECSA-N 3 0 349.519 1.762 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309678 446473005 /nfs/dbraw/zinc/47/30/05/446473005.db2.gz FALDSEMPWLKSEI-RBUKOAKNSA-N 2 0 347.503 1.924 20 0 EDADRP [NH3+]CCN(CCO)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC000420311381 446475727 /nfs/dbraw/zinc/47/57/27/446475727.db2.gz RAQBQCCSHVGCNZ-GOSISDBHSA-N 2 0 347.484 1.597 20 0 EDADRP C[C@H](C[NH3+])N[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000423327739 446489353 /nfs/dbraw/zinc/48/93/53/446489353.db2.gz NRULQTIOUHDPLS-MLGOLLRUSA-N 2 0 338.883 1.515 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000423327166 446489788 /nfs/dbraw/zinc/48/97/88/446489788.db2.gz CXYVPAJKHOEOJO-LSDHHAIUSA-N 2 0 339.505 1.977 20 0 EDADRP COCC[N@@H+]1CC[C@H](N[C@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000423340735 446496329 /nfs/dbraw/zinc/49/63/29/446496329.db2.gz TUEVLRWYYQFVPV-UHOSZYNNSA-N 2 0 333.476 1.451 20 0 EDADRP CC[C@@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000420325933 446492735 /nfs/dbraw/zinc/49/27/35/446492735.db2.gz WWJUOBGZSWSYRD-KBAYOESNSA-N 2 0 335.492 1.515 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326252 446493185 /nfs/dbraw/zinc/49/31/85/446493185.db2.gz JQKWRWDRICLPTK-LSDHHAIUSA-N 2 0 334.464 1.173 20 0 EDADRP COC[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423362449 446501713 /nfs/dbraw/zinc/50/17/13/446501713.db2.gz HVSHOKBJBDRJJL-JJRVBVJISA-N 3 0 327.419 1.754 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332539 446503804 /nfs/dbraw/zinc/50/38/04/446503804.db2.gz SVHXZBWLSQFOBX-KRWDZBQOSA-N 2 0 333.480 1.687 20 0 EDADRP CN(C(=O)NC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418336938 446504839 /nfs/dbraw/zinc/50/48/39/446504839.db2.gz INKUUVWRTLLVOD-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H](C)[NH3+] ZINC000423373987 446507313 /nfs/dbraw/zinc/50/73/13/446507313.db2.gz CAWVLBFDNHEBQV-RHSMWYFYSA-N 2 0 348.491 1.214 20 0 EDADRP C[C@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000418338371 446507686 /nfs/dbraw/zinc/50/76/86/446507686.db2.gz JTKTXBCRJLQSGN-RDJZCZTQSA-N 2 0 330.476 1.900 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418343799 446509049 /nfs/dbraw/zinc/50/90/49/446509049.db2.gz JZFKEAKTMGGWHC-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000423359841 446499428 /nfs/dbraw/zinc/49/94/28/446499428.db2.gz PQXSYWXVMRWVPV-NVXWUHKLSA-N 2 0 333.480 1.658 20 0 EDADRP C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCC(C)CC1 ZINC000433391039 446568372 /nfs/dbraw/zinc/56/83/72/446568372.db2.gz UGBOCRDKUGWDRT-HUUCEWRRSA-N 2 0 334.468 1.053 20 0 EDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453563013 446561386 /nfs/dbraw/zinc/56/13/86/446561386.db2.gz LTDLEMVNCCAQJD-INIZCTEOSA-N 2 0 332.448 1.242 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420346215 446518477 /nfs/dbraw/zinc/51/84/77/446518477.db2.gz CLHMTGJELYEPLZ-AEFFLSMTSA-N 2 0 330.476 1.013 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000418369719 446518607 /nfs/dbraw/zinc/51/86/07/446518607.db2.gz OAVVNAGJTHUMDN-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418376324 446519406 /nfs/dbraw/zinc/51/94/06/446519406.db2.gz GBLAARUFBLFLGP-GBESFXJTSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@H]([NH3+])C3CC3)CC2)C[C@H](C)O1 ZINC000418498960 446566628 /nfs/dbraw/zinc/56/66/28/446566628.db2.gz NHIKYZFHTUEHCU-VBQJREDUSA-N 2 0 338.496 1.255 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)C2(CCCCC2)C1 ZINC000423426864 446530951 /nfs/dbraw/zinc/53/09/51/446530951.db2.gz IJOAXALSPFYFII-UHFFFAOYSA-N 2 0 334.468 1.108 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000423426851 446531116 /nfs/dbraw/zinc/53/11/16/446531116.db2.gz IEHOOXJRIKYUPB-MRXNPFEDSA-N 2 0 340.512 1.153 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000418401427 446531181 /nfs/dbraw/zinc/53/11/81/446531181.db2.gz GMDUGJSXWFXLCK-OWLYRPNTSA-N 2 0 346.475 1.567 20 0 EDADRP COC(=O)c1ccc(N2CC[N@H+](CC[C@H]3CC[NH2+]C3)[C@H](C)C2)cc1 ZINC000420357978 446538604 /nfs/dbraw/zinc/53/86/04/446538604.db2.gz IJXPECDPUCXDPA-HZPDHXFCSA-N 2 0 331.460 1.983 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC(Oc3ccccn3)CC2)CC1 ZINC000433179196 446542664 /nfs/dbraw/zinc/54/26/64/446542664.db2.gz TUXGVGAUJSXIFY-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP O=C(CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000420391294 446567611 /nfs/dbraw/zinc/56/76/11/446567611.db2.gz ANZNZXLRRUTASF-WBVHZDCISA-N 2 0 337.851 1.582 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000423467532 446549234 /nfs/dbraw/zinc/54/92/34/446549234.db2.gz JGRXEQXOBQTOSI-YTQUADARSA-N 2 0 335.467 1.829 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423498168 446555266 /nfs/dbraw/zinc/55/52/66/446555266.db2.gz GOHMBSFYZCEDKO-NTZNESFSSA-N 2 0 328.254 1.716 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418604697 446611182 /nfs/dbraw/zinc/61/11/82/446611182.db2.gz YALSUTSGXGXPBH-GVDBMIGSSA-N 3 0 339.528 1.042 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418603884 446611672 /nfs/dbraw/zinc/61/16/72/446611672.db2.gz XATKQNNLAFKFMB-MAUKXSAKSA-N 2 0 348.491 1.766 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000418607845 446613047 /nfs/dbraw/zinc/61/30/47/446613047.db2.gz XXVGCAIRLQBUQF-JZWPEALZSA-N 2 0 326.485 1.268 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[N@H+](Cc2ccccc2)C[C@@H](C)C1 ZINC000418505976 446570102 /nfs/dbraw/zinc/57/01/02/446570102.db2.gz GTMRSLJNPKJIGK-QGZVFWFLSA-N 2 0 348.491 1.386 20 0 EDADRP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420401961 446574629 /nfs/dbraw/zinc/57/46/29/446574629.db2.gz HHWGHRLNMYRXEF-CABCVRRESA-N 2 0 333.476 1.600 20 0 EDADRP CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000420406718 446579617 /nfs/dbraw/zinc/57/96/17/446579617.db2.gz RVPFPJPRYWBLGS-DOTOQJQBSA-N 2 0 333.476 1.818 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418523201 446580198 /nfs/dbraw/zinc/58/01/98/446580198.db2.gz LKUPPTFGAMQAJC-AWEZNQCLSA-N 2 0 340.418 1.648 20 0 EDADRP O=C(CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000420410791 446583088 /nfs/dbraw/zinc/58/30/88/446583088.db2.gz RKHWWNLIQCCXDP-FUHWJXTLSA-N 2 0 331.460 1.566 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418575366 446601042 /nfs/dbraw/zinc/60/10/42/446601042.db2.gz WNSZXHACXRFIGW-BZUAXINKSA-N 2 0 326.485 1.399 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2(COC)CCC[NH2+]2)[C@@H](C)C1 ZINC000418658955 446637325 /nfs/dbraw/zinc/63/73/25/446637325.db2.gz VBIXODLUDFRHGR-ZOBUZTSGSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662767 446638398 /nfs/dbraw/zinc/63/83/98/446638398.db2.gz DWJAYPCGRKIYQX-QAQDUYKDSA-N 2 0 347.507 1.920 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC[C@H]3CCC[NH2+]3)CC2)c1 ZINC000418756202 446676291 /nfs/dbraw/zinc/67/62/91/446676291.db2.gz YEKBDLUTDCPVTB-OAHLLOKOSA-N 2 0 347.463 1.454 20 0 EDADRP CCn1ccnc1CN(C(=O)C[NH2+]CC1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000376678557 446646309 /nfs/dbraw/zinc/64/63/09/446646309.db2.gz HGJYGUYFQDMFRW-MRXNPFEDSA-N 2 0 345.491 1.373 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000418698569 446653330 /nfs/dbraw/zinc/65/33/30/446653330.db2.gz ODDWENKPMKTZFX-DLBZAZTESA-N 2 0 339.528 1.315 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])CC1 ZINC000418730469 446657714 /nfs/dbraw/zinc/65/77/14/446657714.db2.gz SGUAUYSIWWUHMR-LSDHHAIUSA-N 2 0 328.501 1.502 20 0 EDADRP CCN(C(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418754163 446672659 /nfs/dbraw/zinc/67/26/59/446672659.db2.gz ASRRJKSXCHXRHY-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418627697 446620873 /nfs/dbraw/zinc/62/08/73/446620873.db2.gz BHOFRYPFUQWCEX-GOSISDBHSA-N 2 0 330.476 1.857 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccccc1C(F)(F)F ZINC000420449001 446625776 /nfs/dbraw/zinc/62/57/76/446625776.db2.gz FLIJQHAMVLBARV-UHFFFAOYSA-N 2 0 339.383 1.394 20 0 EDADRP CN(C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418645831 446629923 /nfs/dbraw/zinc/62/99/23/446629923.db2.gz WPBDSUVFXLZTEH-AEFFLSMTSA-N 2 0 328.460 1.752 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC000368083683 446630412 /nfs/dbraw/zinc/63/04/12/446630412.db2.gz OGXGWXPAMMRNAV-QAPCUYQASA-N 2 0 335.496 1.793 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2(COC)CCC[NH2+]2)C[C@H]1C ZINC000418649949 446633005 /nfs/dbraw/zinc/63/30/05/446633005.db2.gz FEYZCHQDMGRGSL-VYDXJSESSA-N 2 0 326.485 1.269 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418652377 446634531 /nfs/dbraw/zinc/63/45/31/446634531.db2.gz ZJEGVXBLGCZPLE-OAHLLOKOSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418781342 446699236 /nfs/dbraw/zinc/69/92/36/446699236.db2.gz ZEJAXXMVZYHPCE-CABCVRRESA-N 2 0 326.485 1.005 20 0 EDADRP c1cnn(CCCCC[NH+]2CCN(CC[N@@H+]3CCCOCC3)CC2)c1 ZINC000375334548 446730190 /nfs/dbraw/zinc/73/01/90/446730190.db2.gz IRBXFGIFVWKIFB-UHFFFAOYSA-N 2 0 349.523 1.393 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000375365341 446750438 /nfs/dbraw/zinc/75/04/38/446750438.db2.gz GBISHZQVPPBKSB-KRWDZBQOSA-N 2 0 331.460 1.475 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423930149 446781727 /nfs/dbraw/zinc/78/17/27/446781727.db2.gz JZQIYLWVIINCQG-LJIGWXMPSA-N 2 0 333.480 1.307 20 0 EDADRP C[C@H](c1cccnc1)N1C(=O)C[C@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323356 446785743 /nfs/dbraw/zinc/78/57/43/446785743.db2.gz YRMJVWNPEUBSHS-ALKREAHSSA-N 2 0 342.443 1.298 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CC(=O)NC3CCCC3)CC2)CC1 ZINC000368328771 446789951 /nfs/dbraw/zinc/78/99/51/446789951.db2.gz BBXRDLALVDCFJZ-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000418942909 446816280 /nfs/dbraw/zinc/81/62/80/446816280.db2.gz YJZRPJXSNLFTGG-HZPDHXFCSA-N 2 0 338.496 1.002 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000377007984 446857310 /nfs/dbraw/zinc/85/73/10/446857310.db2.gz RTINMCWBMJWXNU-ICBNADEASA-N 2 0 336.524 1.644 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2cnccc2n1 ZINC000412120629 446870703 /nfs/dbraw/zinc/87/07/03/446870703.db2.gz DRZADZLCWPSJGH-UHFFFAOYSA-N 2 0 343.475 1.975 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)c3ccc(C[NH3+])cc3)CCC[N@@H+]2C)cn1 ZINC000368478498 446887125 /nfs/dbraw/zinc/88/71/25/446887125.db2.gz SLFYOUKZAREBRV-AEFFLSMTSA-N 2 0 341.459 1.692 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412229562 446904242 /nfs/dbraw/zinc/90/42/42/446904242.db2.gz QLFAFPRATDFTQE-FMKPAKJESA-N 2 0 325.522 1.755 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000419079542 446909759 /nfs/dbraw/zinc/90/97/59/446909759.db2.gz NDOZWFOSGNNELO-XHSDSOJGSA-N 2 0 338.496 1.001 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000368570362 446949532 /nfs/dbraw/zinc/94/95/32/446949532.db2.gz SULJWHFFASEJSC-ZIAGYGMSSA-N 2 0 333.436 1.501 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000368598673 446972116 /nfs/dbraw/zinc/97/21/16/446972116.db2.gz RAHKPROEQHIWNC-AISVETHESA-N 2 0 349.519 1.772 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000371948216 446978463 /nfs/dbraw/zinc/97/84/63/446978463.db2.gz BQAFTOWOMAZDPQ-CRAIPNDOSA-N 2 0 329.488 1.931 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000368620235 446985528 /nfs/dbraw/zinc/98/55/28/446985528.db2.gz XMRDJIYQRTYADE-LTIDMASMSA-N 2 0 336.480 1.118 20 0 EDADRP Cc1cc(NC(=O)CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)no1 ZINC000372421877 447056182 /nfs/dbraw/zinc/05/61/82/447056182.db2.gz ZMZYWXYOMSBFOU-CQSZACIVSA-N 2 0 332.448 2.118 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@@H]1c1cccs1 ZINC000372460458 447063387 /nfs/dbraw/zinc/06/33/87/447063387.db2.gz QJTBLNLDGWXIQD-BDJLRTHQSA-N 2 0 345.472 1.540 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000421294425 447107842 /nfs/dbraw/zinc/10/78/42/447107842.db2.gz GVKHQBJWRUYMHU-INIZCTEOSA-N 2 0 332.448 1.239 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)C1(C)C ZINC000444185039 447092363 /nfs/dbraw/zinc/09/23/63/447092363.db2.gz PWSQBAWJNZHDCE-AFIMGQEJSA-N 2 0 325.497 1.898 20 0 EDADRP CC(C)COC[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375907263 447138992 /nfs/dbraw/zinc/13/89/92/447138992.db2.gz XRQMWXDATBCKMB-QZTJIDSGSA-N 2 0 327.513 1.120 20 0 EDADRP CCCCCCN(CCN1CCOCC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000375914351 447144327 /nfs/dbraw/zinc/14/43/27/447144327.db2.gz PAXNMMYZTLFHEX-QGZVFWFLSA-N 2 0 341.496 1.106 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+][C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1 ZINC000372588335 447165474 /nfs/dbraw/zinc/16/54/74/447165474.db2.gz HVLPLPGIZKDJJU-AEFFLSMTSA-N 2 0 333.480 1.450 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000372613537 447184022 /nfs/dbraw/zinc/18/40/22/447184022.db2.gz ZFBUNODYZJQQGP-OAHLLOKOSA-N 2 0 339.443 1.450 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000419481626 447213735 /nfs/dbraw/zinc/21/37/35/447213735.db2.gz WOOKISJMAKLVQA-NJINODPHSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000419528273 447244013 /nfs/dbraw/zinc/24/40/13/447244013.db2.gz WRQJPONPCZDCNA-BZUAXINKSA-N 2 0 340.512 1.203 20 0 EDADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000458703620 447456166 /nfs/dbraw/zinc/45/61/66/447456166.db2.gz IDQGEKOAQBKXFC-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000494901739 447460518 /nfs/dbraw/zinc/46/05/18/447460518.db2.gz NNDVYMUGDVASNP-HNNXBMFYSA-N 2 0 326.485 1.221 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c1)C1CC1 ZINC000415472855 447464692 /nfs/dbraw/zinc/46/46/92/447464692.db2.gz ZLKMEULGUBOVRY-UHFFFAOYSA-N 2 0 332.448 1.115 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@H](C)O1 ZINC000426650996 447485457 /nfs/dbraw/zinc/48/54/57/447485457.db2.gz IUQDBBNGHCYJKL-IYBDPMFKSA-N 2 0 337.508 1.866 20 0 EDADRP O=C1C[C@@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCCN1 ZINC000390841878 447503086 /nfs/dbraw/zinc/50/30/86/447503086.db2.gz DAXNGKZGFOPUNJ-SFHVURJKSA-N 2 0 330.476 1.063 20 0 EDADRP C[N@H+](C[C@@H](O)CNC[C@@H]1C[NH+](Cc2ccccc2)CCCO1)C1CC1 ZINC000390867193 447504189 /nfs/dbraw/zinc/50/41/89/447504189.db2.gz OMZFEGZGZINTKN-VQTJNVASSA-N 2 0 347.503 1.322 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000495079810 447475757 /nfs/dbraw/zinc/47/57/57/447475757.db2.gz BDZJHMNTTWZYGO-MRXNPFEDSA-N 2 0 346.475 1.125 20 0 EDADRP CN(C(=O)C[C@@H]1CCC[NH2+]CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000427283673 447575269 /nfs/dbraw/zinc/57/52/69/447575269.db2.gz YLODPAGPIDZQAQ-QGZVFWFLSA-N 2 0 347.507 1.586 20 0 EDADRP CC(C)[NH+](CCNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C(C)C ZINC000457413976 447576401 /nfs/dbraw/zinc/57/64/01/447576401.db2.gz BCNVTQHDXGEZPT-INIZCTEOSA-N 2 0 328.501 1.251 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccnc(C)c1 ZINC000458993535 447531299 /nfs/dbraw/zinc/53/12/99/447531299.db2.gz DZMFAEGGURBICJ-SFHVURJKSA-N 2 0 347.507 1.948 20 0 EDADRP O=C(NC1CC[NH+](C2CCC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000459099050 447573738 /nfs/dbraw/zinc/57/37/38/447573738.db2.gz JHDRYWUAPHULMX-MRXNPFEDSA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000416853361 447697065 /nfs/dbraw/zinc/69/70/65/447697065.db2.gz UDRDIYXVNVXIDC-CABCVRRESA-N 2 0 340.418 1.456 20 0 EDADRP CCC[N@H+](CCn1cc(Cl)cn1)CCN1CC[NH+](CC)CC1 ZINC000459541436 447700724 /nfs/dbraw/zinc/70/07/24/447700724.db2.gz WNNAGOLKFAKUAC-UHFFFAOYSA-N 2 0 327.904 1.886 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000416949418 447722134 /nfs/dbraw/zinc/72/21/34/447722134.db2.gz HEDCJPFYNWHXLT-MSOLQXFVSA-N 2 0 347.507 1.258 20 0 EDADRP O=C(COc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1)NC1CC1 ZINC000422708896 447723244 /nfs/dbraw/zinc/72/32/44/447723244.db2.gz JUCJJHZXYKZRCX-JWTNVVGKSA-N 2 0 343.471 1.759 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCN(C)CC1 ZINC000416953485 447724551 /nfs/dbraw/zinc/72/45/51/447724551.db2.gz KOMKMKUNLBQXTP-BBWFWOEESA-N 2 0 339.528 1.027 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000416958385 447727246 /nfs/dbraw/zinc/72/72/46/447727246.db2.gz OZHZCXHZCYNDFQ-HZPDHXFCSA-N 2 0 327.517 1.075 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H](C)CCCC[NH3+])c1 ZINC000422740015 447733691 /nfs/dbraw/zinc/73/36/91/447733691.db2.gz MUWFEDVMMNCYTJ-CQSZACIVSA-N 2 0 327.494 1.980 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422753555 447739672 /nfs/dbraw/zinc/73/96/72/447739672.db2.gz DZUHBKQBJQDUKN-KURKYZTESA-N 2 0 331.460 1.935 20 0 EDADRP Cc1cc(NC(=O)[C@@H](C)C[NH+]2CCOCC2)ccc1OCC[NH+](C)C ZINC000458194661 447742019 /nfs/dbraw/zinc/74/20/19/447742019.db2.gz DOFHTJKDXVSGNK-INIZCTEOSA-N 2 0 349.475 1.842 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000458225407 447748413 /nfs/dbraw/zinc/74/84/13/447748413.db2.gz YLFFUGLITAAWLG-KRWDZBQOSA-N 2 0 346.475 1.264 20 0 EDADRP COCCS(=O)(=O)c1ccc(CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000429431354 447748602 /nfs/dbraw/zinc/74/86/02/447748602.db2.gz YWDMHLZBFYIWSC-GOEBONIOSA-N 2 0 340.489 1.679 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H]([C@H]3CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496278061 447752226 /nfs/dbraw/zinc/75/22/26/447752226.db2.gz WSJMQTVUCOBDBL-RLFYNMQTSA-N 2 0 335.448 1.219 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471834695 447815215 /nfs/dbraw/zinc/81/52/15/447815215.db2.gz SVJNAAKUEIYERU-DLBZAZTESA-N 2 0 346.475 1.504 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422848185 447768809 /nfs/dbraw/zinc/76/88/09/447768809.db2.gz SVFVYHZFKICVIE-MRXNPFEDSA-N 2 0 333.480 1.227 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@H]2c2ccccc2)C1 ZINC000422920305 447773854 /nfs/dbraw/zinc/77/38/54/447773854.db2.gz MFUUERJGRZFXQO-MHORFTMASA-N 2 0 331.460 1.487 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(=O)N(C)C ZINC000422943193 447777822 /nfs/dbraw/zinc/77/78/22/447777822.db2.gz QOAXUELROGKYBX-CVEARBPZSA-N 2 0 349.475 1.769 20 0 EDADRP C[C@H](C(=O)NCc1ccc(F)cc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430561912 447779513 /nfs/dbraw/zinc/77/95/13/447779513.db2.gz OWOZZINCAZYCAP-CQSZACIVSA-N 2 0 337.439 1.660 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953592 447779607 /nfs/dbraw/zinc/77/96/07/447779607.db2.gz FTSSBBHGIYRUBP-QWHCGFSZSA-N 2 0 326.238 1.648 20 0 EDADRP OC(C[NH+]1CCC[C@]2(CCOC2)C1)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451913369 447782134 /nfs/dbraw/zinc/78/21/34/447782134.db2.gz WLMJTDBKHMZNOG-OALUTQOASA-N 2 0 338.492 1.352 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000422970421 447784014 /nfs/dbraw/zinc/78/40/14/447784014.db2.gz WOAFYIYDLOFXKC-FOIPXRHGSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H](NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422977035 447786131 /nfs/dbraw/zinc/78/61/31/447786131.db2.gz JGFHUZOIAAOXHO-HNAYVOBHSA-N 3 0 326.444 1.782 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000462005790 447798062 /nfs/dbraw/zinc/79/80/62/447798062.db2.gz VEHQUXKYWXRCGW-PMPSAXMXSA-N 2 0 328.501 1.203 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000487702541 447836153 /nfs/dbraw/zinc/83/61/53/447836153.db2.gz ZTEOKFLNPOWWPU-SJORKVTESA-N 2 0 340.512 1.394 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701970 447851805 /nfs/dbraw/zinc/85/18/05/447851805.db2.gz WHDCHIYBFABAST-HACGYAERSA-N 2 0 327.469 1.334 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000522830393 447858371 /nfs/dbraw/zinc/85/83/71/447858371.db2.gz LYGWJRGWVJACMG-IBGZPJMESA-N 2 0 342.487 1.848 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)OCC(C)C ZINC000523094194 447872454 /nfs/dbraw/zinc/87/24/54/447872454.db2.gz UDBFTBAWOBJCQT-IAGOWNOFSA-N 2 0 327.513 1.922 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530814458 447963671 /nfs/dbraw/zinc/96/36/71/447963671.db2.gz GBFBKKIVVGQGAJ-MJGOQNOKSA-N 2 0 331.460 1.224 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000576144590 447983469 /nfs/dbraw/zinc/98/34/69/447983469.db2.gz QTFPIHBJYLWHFS-FBVQUNGASA-N 2 0 334.460 1.788 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000525332433 447996188 /nfs/dbraw/zinc/99/61/88/447996188.db2.gz MJQGRLHTRXLQOL-LJQANCHMSA-N 2 0 331.460 1.178 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000576212359 447999389 /nfs/dbraw/zinc/99/93/89/447999389.db2.gz XZZHUZDJKDPMHA-HZPDHXFCSA-N 2 0 326.485 1.302 20 0 EDADRP CC1(C)C[NH+](Cc2cncc(C[N@@H+]3C[C@@H](O)C(C)(C)C3)c2)C[C@H]1O ZINC000576227701 448004137 /nfs/dbraw/zinc/00/41/37/448004137.db2.gz YSHRYFCFBRJQQU-IAGOWNOFSA-N 2 0 333.476 1.487 20 0 EDADRP CCC(CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1)N1CCOCC1 ZINC000525670398 448008109 /nfs/dbraw/zinc/00/81/09/448008109.db2.gz JZOQIMUWOIAMLN-FUHWJXTLSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)NC(=O)C1CCCC1 ZINC000531118663 448022147 /nfs/dbraw/zinc/02/21/47/448022147.db2.gz XJYXMMKEWZXBIJ-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000570634972 448039909 /nfs/dbraw/zinc/03/99/09/448039909.db2.gz QOFXRPKROXWOGD-ILXRZTDVSA-N 2 0 334.468 1.023 20 0 EDADRP CCC[C@H]1CN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC[N@@H+]1CCOC ZINC000571051042 448100299 /nfs/dbraw/zinc/10/02/99/448100299.db2.gz WMNNXLQZNJMSCP-GJZGRUSLSA-N 2 0 349.479 1.060 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000502652933 448104680 /nfs/dbraw/zinc/10/46/80/448104680.db2.gz RGCFBUMTNJOLAJ-KSZLIROESA-N 2 0 337.508 1.819 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000527211125 448183966 /nfs/dbraw/zinc/18/39/66/448183966.db2.gz KLITWUGJJQTWLV-GOSISDBHSA-N 2 0 332.492 1.932 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000514860242 448216215 /nfs/dbraw/zinc/21/62/15/448216215.db2.gz BBLDCDBVRHHGQR-ROUUACIJSA-N 2 0 346.475 1.322 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)N[C@@H]1C[N@@H+](C)C[C@@H]1c1ccccc1)C2 ZINC000577252246 448247007 /nfs/dbraw/zinc/24/70/07/448247007.db2.gz YJLLKDCNMBEIBO-QXAKKESOSA-N 2 0 338.455 1.968 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000515055628 448249996 /nfs/dbraw/zinc/24/99/96/448249996.db2.gz ZBTAIEBXUZEAPH-SJLPKXTDSA-N 2 0 349.475 1.706 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000572226185 448319086 /nfs/dbraw/zinc/31/90/86/448319086.db2.gz LODNPXQFFAPDPN-INIZCTEOSA-N 2 0 334.464 1.507 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000577384568 448283634 /nfs/dbraw/zinc/28/36/34/448283634.db2.gz CFMRRSRYQYBCBB-OALUTQOASA-N 2 0 347.503 1.982 20 0 EDADRP Cn1nnc2cc(C[NH2+]C3CCC([NH+]4CCNCC4)CC3)ccc21 ZINC000515517147 448325235 /nfs/dbraw/zinc/32/52/35/448325235.db2.gz LAAANZWWHNTYLN-UHFFFAOYSA-N 2 0 328.464 1.274 20 0 EDADRP [NH3+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000515382877 448304691 /nfs/dbraw/zinc/30/46/91/448304691.db2.gz DKNUPIHKKYTWLU-QZTJIDSGSA-N 2 0 330.476 1.927 20 0 EDADRP COC[C@@]1(CNC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CCC[NH2+]1 ZINC000515810820 448352466 /nfs/dbraw/zinc/35/24/66/448352466.db2.gz IEJKPTMSGXOPMB-WMZOPIPTSA-N 2 0 338.496 1.128 20 0 EDADRP Cn1cc(-c2nc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)cs2)cn1 ZINC000527636825 448328894 /nfs/dbraw/zinc/32/88/94/448328894.db2.gz XXHMQUCCMAUGGV-UHFFFAOYSA-N 2 0 348.520 1.659 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)C(F)(F)F)cn2)CC1 ZINC000572274653 448333293 /nfs/dbraw/zinc/33/32/93/448333293.db2.gz JWHCBKVZTZTJFW-ZDUSSCGKSA-N 2 0 332.370 1.236 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000572498794 448396060 /nfs/dbraw/zinc/39/60/60/448396060.db2.gz NPPMLSFHFPKBRX-GBESFXJTSA-N 2 0 342.487 1.948 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000516098030 448380670 /nfs/dbraw/zinc/38/06/70/448380670.db2.gz GOAZLZYOKQKJPG-ANULTFPQSA-N 2 0 343.515 1.868 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000577998757 448434931 /nfs/dbraw/zinc/43/49/31/448434931.db2.gz VDZKJJBHCIULMS-SOLBZPMBSA-N 2 0 348.466 1.945 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000566298720 448439418 /nfs/dbraw/zinc/43/94/18/448439418.db2.gz CSBBKVDNYUEKCG-HLLBOEOZSA-N 2 0 344.459 1.529 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000578076111 448456119 /nfs/dbraw/zinc/45/61/19/448456119.db2.gz ZGQVHBVMPGPSLZ-MRXNPFEDSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000516653805 448457979 /nfs/dbraw/zinc/45/79/79/448457979.db2.gz WPFREIDWHHXPFZ-APWZRJJASA-N 2 0 344.503 1.438 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000591726517 448473819 /nfs/dbraw/zinc/47/38/19/448473819.db2.gz DQOSZGHZFFDWNG-YESZJQIVSA-N 2 0 348.443 1.429 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)[C@H]1CCN2CCO[C@H]1C2 ZINC000528292924 448479181 /nfs/dbraw/zinc/47/91/81/448479181.db2.gz HPBWWMZIVAUPIS-ULQDDVLXSA-N 2 0 336.480 1.118 20 0 EDADRP CC(C)[C@H](C[NH2+]CCC(=O)Nc1cccnc1)N1CC[NH+](C)CC1 ZINC000584346295 448491974 /nfs/dbraw/zinc/49/19/74/448491974.db2.gz AZUQQDLENUVFEW-KRWDZBQOSA-N 2 0 333.480 1.272 20 0 EDADRP C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)[C@@H]([NH3+])C[C@@H]2C1 ZINC000578144516 448472181 /nfs/dbraw/zinc/47/21/81/448472181.db2.gz WCDMOTFNIMUSMG-QKCSRTOESA-N 2 0 343.349 1.890 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000516920956 448496743 /nfs/dbraw/zinc/49/67/43/448496743.db2.gz GNGJXLYAOMKWSN-HJWJTTGWSA-N 2 0 333.480 1.386 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000573001382 448519145 /nfs/dbraw/zinc/51/91/45/448519145.db2.gz NUTNUSANJFILRY-UONOGXRCSA-N 2 0 338.496 1.142 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000578335828 448521460 /nfs/dbraw/zinc/52/14/60/448521460.db2.gz SGHAQRBASBKPFL-INIZCTEOSA-N 2 0 333.476 1.975 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@H]1CC[NH2+]C1 ZINC000584362787 448500356 /nfs/dbraw/zinc/50/03/56/448500356.db2.gz YVZYTRCBWXXLKY-ROUUACIJSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000578497656 448561002 /nfs/dbraw/zinc/56/10/02/448561002.db2.gz RUUPTNCJNBAONW-DLBZAZTESA-N 2 0 345.491 1.098 20 0 EDADRP COCC[NH2+]CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000566680606 448537215 /nfs/dbraw/zinc/53/72/15/448537215.db2.gz JRPNLUOFBLBXTJ-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC[C@@H]1C[N@H+](Cc2cncc(C[NH+]3C[C@H](O)[C@@H](CC)C3)c2)C[C@@H]1O ZINC000517216755 448551972 /nfs/dbraw/zinc/55/19/72/448551972.db2.gz RINAIUDHTDJGKW-RDGPPVDQSA-N 2 0 333.476 1.487 20 0 EDADRP CC(C)[C@H]1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000538987342 448604471 /nfs/dbraw/zinc/60/44/71/448604471.db2.gz UKSGZWOXTRHJIZ-HZPDHXFCSA-N 2 0 328.501 1.325 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000567102540 448613866 /nfs/dbraw/zinc/61/38/66/448613866.db2.gz OBYPYDMKWDHKSN-NXHRZFHOSA-N 2 0 331.460 1.916 20 0 EDADRP [NH3+]CC1(O)CCN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CC1 ZINC000567109644 448615703 /nfs/dbraw/zinc/61/57/03/448615703.db2.gz XWAGWSARIXGLGO-UHFFFAOYSA-N 2 0 349.500 1.161 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000573293087 448587643 /nfs/dbraw/zinc/58/76/43/448587643.db2.gz VJPPNWGZYZXKJL-UHFFFAOYSA-N 2 0 346.523 1.583 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000573583109 448665247 /nfs/dbraw/zinc/66/52/47/448665247.db2.gz JTNGSYLDNXPELI-OAHLLOKOSA-N 2 0 326.485 1.032 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000578768761 448634477 /nfs/dbraw/zinc/63/44/77/448634477.db2.gz PNIDRFWAGCTNKP-KSVNGYGVSA-N 2 0 349.519 1.756 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000541720843 448686393 /nfs/dbraw/zinc/68/63/93/448686393.db2.gz CLTANDABJQREEG-ICSRJNTNSA-N 2 0 345.487 1.472 20 0 EDADRP C[C@@H](C(=O)NCCN1CCO[C@H](C)C1)N1CCc2ccccc2C1 ZINC000518457026 448679471 /nfs/dbraw/zinc/67/94/71/448679471.db2.gz HHNSWPQSGREPKY-CVEARBPZSA-N 2 0 331.460 1.270 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2N[C@H]2CCC[NH2+]CC2)C1 ZINC000518491540 448684366 /nfs/dbraw/zinc/68/43/66/448684366.db2.gz NXNIRDNRSYUOBE-IRXDYDNUSA-N 2 0 330.476 1.938 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000579225343 448743992 /nfs/dbraw/zinc/74/39/92/448743992.db2.gz ACINGVTWOKPNPR-OZTPJHRESA-N 2 0 339.386 1.412 20 0 EDADRP C[C@H]1C[C@@H]([N@H+](C)CCN2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000519162003 448748816 /nfs/dbraw/zinc/74/88/16/448748816.db2.gz WQONOPZGZZFQAQ-ICSRJNTNSA-N 2 0 330.520 1.877 20 0 EDADRP C[C@@H]1[C@H](O)CCC[NH+]1Cc1cncc(C[N@H+]2CCC[C@@H](O)[C@H]2C)c1 ZINC000579555485 448818700 /nfs/dbraw/zinc/81/87/00/448818700.db2.gz FFMCDRZHVHBVOM-OHDICMOHSA-N 2 0 333.476 1.772 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000519698356 448821553 /nfs/dbraw/zinc/82/15/53/448821553.db2.gz KGRJJLWNUNWHSN-PMPSAXMXSA-N 2 0 331.526 1.701 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000579567887 448822924 /nfs/dbraw/zinc/82/29/24/448822924.db2.gz BSBCZWBPLHCCHY-AWEZNQCLSA-N 2 0 346.475 1.507 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000529345200 448833855 /nfs/dbraw/zinc/83/38/55/448833855.db2.gz WEFJTYAHVWROMM-GOSISDBHSA-N 2 0 346.475 1.445 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1CC[NH2+]CC1 ZINC000579691616 448853587 /nfs/dbraw/zinc/85/35/87/448853587.db2.gz UXJCTXBCDHRXMI-QGZVFWFLSA-N 3 0 339.528 1.044 20 0 EDADRP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000579693170 448854470 /nfs/dbraw/zinc/85/44/70/448854470.db2.gz LBEMFXDWBWUWCT-GOSISDBHSA-N 2 0 330.432 1.088 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c21 ZINC000592567076 448904498 /nfs/dbraw/zinc/90/44/98/448904498.db2.gz PUADOVSMWFDTQL-OFQRWUPVSA-N 2 0 331.464 1.323 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000568738178 448913212 /nfs/dbraw/zinc/91/32/12/448913212.db2.gz XYLVQWKUYOTLSV-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000574861122 448971666 /nfs/dbraw/zinc/97/16/66/448971666.db2.gz NJIXCBMRQSEQGE-SJORKVTESA-N 2 0 334.464 1.275 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000569314030 448998072 /nfs/dbraw/zinc/99/80/72/448998072.db2.gz LAELSYARNVNSOR-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000575027323 449016436 /nfs/dbraw/zinc/01/64/36/449016436.db2.gz BJQBGEBORNNZPE-MJGOQNOKSA-N 2 0 346.475 1.410 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC(CC[NH3+])CC1)C(C)C ZINC000574922896 448991877 /nfs/dbraw/zinc/99/18/77/448991877.db2.gz QBELGQICARDGPS-UHFFFAOYSA-N 2 0 340.512 1.199 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccs1 ZINC000592955026 449075523 /nfs/dbraw/zinc/07/55/23/449075523.db2.gz IBDNAZYMYGKEIO-GXTWGEPZSA-N 2 0 347.488 1.813 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1C[NH2+]CCCO1 ZINC000569558207 449042640 /nfs/dbraw/zinc/04/26/40/449042640.db2.gz UTYJLBVQPGAYLJ-GOSISDBHSA-N 2 0 346.475 1.460 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000575127830 449042910 /nfs/dbraw/zinc/04/29/10/449042910.db2.gz RPILPWAIOVYXEY-CYBMUJFWSA-N 2 0 331.407 1.135 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000582303881 449062199 /nfs/dbraw/zinc/06/21/99/449062199.db2.gz RNZMATQVMQIAJJ-FVQBIDKESA-N 2 0 344.459 1.178 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548720403 449089628 /nfs/dbraw/zinc/08/96/28/449089628.db2.gz XZUKZDOYGZRQQC-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP c1cn(-c2ccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cn2)cn1 ZINC000530240023 449090508 /nfs/dbraw/zinc/09/05/08/449090508.db2.gz JSSCNVDKOUKHJQ-SFHVURJKSA-N 2 0 341.459 1.858 20 0 EDADRP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530241913 449091918 /nfs/dbraw/zinc/09/19/18/449091918.db2.gz RTKOBOPYXJONSM-GDBMZVCRSA-N 2 0 325.497 1.770 20 0 EDADRP CN(C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000604208250 449191179 /nfs/dbraw/zinc/19/11/79/449191179.db2.gz IGPCKRZWIQMCBD-YJBOKZPZSA-N 2 0 349.523 1.033 20 0 EDADRP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595891515 449236392 /nfs/dbraw/zinc/23/63/92/449236392.db2.gz INTOMHQTRJKLLH-BBWFWOEESA-N 2 0 336.476 1.951 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)C2)CC1 ZINC000593906778 449277236 /nfs/dbraw/zinc/27/72/36/449277236.db2.gz VBPXJAVMRLYKSD-KZNAEPCWSA-N 2 0 334.508 1.144 20 0 EDADRP COC(=O)CCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000600707315 449507790 /nfs/dbraw/zinc/50/77/90/449507790.db2.gz ALYTWAZOTWGDDF-OAHLLOKOSA-N 2 0 349.479 1.342 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000614451335 449618816 /nfs/dbraw/zinc/61/88/16/449618816.db2.gz PPSWZWLJTXOHAV-BZUAXINKSA-N 2 0 332.448 1.237 20 0 EDADRP O=C1CCCN1C[C@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000601062287 449676232 /nfs/dbraw/zinc/67/62/32/449676232.db2.gz ODXZPWYBMIMORH-GOSISDBHSA-N 2 0 337.508 1.558 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000594924123 449809299 /nfs/dbraw/zinc/80/92/99/449809299.db2.gz HISXJEDHSVSATC-NUEKZKHPSA-N 2 0 332.448 1.121 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000594928895 449812649 /nfs/dbraw/zinc/81/26/49/449812649.db2.gz WIXKNECHFNELLM-NXWXRZEISA-N 2 0 345.487 1.762 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629532 449890245 /nfs/dbraw/zinc/89/02/45/449890245.db2.gz NJHPYXYUKYEBCK-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000615089865 449950481 /nfs/dbraw/zinc/95/04/81/449950481.db2.gz OATIMCCCOKMYJA-LSDHHAIUSA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595341354 450053944 /nfs/dbraw/zinc/05/39/44/450053944.db2.gz WJPYGAOKKGGPCE-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP CS[C@H]1CN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[C@H]1[NH+](C)C ZINC000599720451 450177125 /nfs/dbraw/zinc/17/71/25/450177125.db2.gz GYRQXBDFEAJBEG-MLHJIOFPSA-N 2 0 347.528 1.836 20 0 EDADRP Cc1ccccc1CO[C@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000625288853 450275428 /nfs/dbraw/zinc/27/54/28/450275428.db2.gz PHKJPPFKRUDOKC-QGZVFWFLSA-N 2 0 335.492 1.852 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000603354274 450260177 /nfs/dbraw/zinc/26/01/77/450260177.db2.gz YPTVDIFTXUIVSX-WMZOPIPTSA-N 2 0 330.476 1.846 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000625834857 450517955 /nfs/dbraw/zinc/51/79/55/450517955.db2.gz POLVYDDRGBOJAL-WMLDXEAASA-N 2 0 331.464 1.619 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623443224 450522448 /nfs/dbraw/zinc/52/24/48/450522448.db2.gz VGISEYQUNRMGQZ-QGZVFWFLSA-N 2 0 335.427 1.853 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1COCCN1C ZINC000623455080 450524076 /nfs/dbraw/zinc/52/40/76/450524076.db2.gz APVVSZAWAIENKA-GOSISDBHSA-N 2 0 348.491 1.657 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000626089203 450573154 /nfs/dbraw/zinc/57/31/54/450573154.db2.gz GCSAMDZJFSXQRS-INIZCTEOSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915184 450560692 /nfs/dbraw/zinc/56/06/92/450560692.db2.gz DRPORUKJEMCKEO-ZACQAIPSSA-N 2 0 337.508 1.961 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000623841030 450612444 /nfs/dbraw/zinc/61/24/44/450612444.db2.gz MRGSPNFXLNSNBF-QGZVFWFLSA-N 2 0 325.416 1.819 20 0 EDADRP Cc1ccc(CNC(=O)NC[C@@H]2COCCN2C)c(N2CCCC2)n1 ZINC000623872781 450621130 /nfs/dbraw/zinc/62/11/30/450621130.db2.gz OVKPNWHWFOLVIU-MRXNPFEDSA-N 2 0 347.463 1.120 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000633039383 450636018 /nfs/dbraw/zinc/63/60/18/450636018.db2.gz SWLGEOOOIPFENN-GOEBONIOSA-N 2 0 344.459 1.559 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000633043308 450642528 /nfs/dbraw/zinc/64/25/28/450642528.db2.gz MURQGYDNEBUISS-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC[N@@H+]1C ZINC000631581383 450666038 /nfs/dbraw/zinc/66/60/38/450666038.db2.gz FGKQBAHBIIOGHK-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000631708500 450725181 /nfs/dbraw/zinc/72/51/81/450725181.db2.gz FAHCTUSYUIAHCC-INIZCTEOSA-N 2 0 325.478 1.180 20 0 EDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c2ccccc21 ZINC000629525287 450726075 /nfs/dbraw/zinc/72/60/75/450726075.db2.gz XIHICKNEPMTERR-MAZHCROVSA-N 2 0 335.415 1.437 20 0 EDADRP O=C(CC[N@H+]1CCC[C@H](c2ccc(F)c(F)c2)C1)N1CC[NH2+]CC1 ZINC000629551090 450731819 /nfs/dbraw/zinc/73/18/19/450731819.db2.gz SJQJPUPGDYBSKS-HNNXBMFYSA-N 2 0 337.414 1.966 20 0 EDADRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000629577382 450745307 /nfs/dbraw/zinc/74/53/07/450745307.db2.gz HEGUHSIXCYPFHU-UHFFFAOYSA-N 2 0 333.354 1.941 20 0 EDADRP CNS(=O)(=O)C[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629595357 450755543 /nfs/dbraw/zinc/75/55/43/450755543.db2.gz NFODTEXRWJJLFT-AWEZNQCLSA-N 2 0 337.489 1.094 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)CC[C@H]3CCC[NH2+]C3)cn2)CC1 ZINC000621645666 450809541 /nfs/dbraw/zinc/80/95/41/450809541.db2.gz JQPOSRIHWAZSDM-MRXNPFEDSA-N 2 0 345.491 1.229 20 0 EDADRP C[C@@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000635299477 450825374 /nfs/dbraw/zinc/82/53/74/450825374.db2.gz GILJXWQWVGSENA-CVEARBPZSA-N 2 0 325.497 1.581 20 0 EDADRP COCC[NH+]1CCC(NC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635426236 450931373 /nfs/dbraw/zinc/93/13/73/450931373.db2.gz VEQABHDGAYJFKV-UHFFFAOYSA-N 2 0 333.476 1.388 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000631975543 450934461 /nfs/dbraw/zinc/93/44/61/450934461.db2.gz MCPDHFLVMKTSTI-CTYIDZIISA-N 2 0 325.478 1.544 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000635454184 450955460 /nfs/dbraw/zinc/95/54/60/450955460.db2.gz UMWDIXTTXFZRQZ-LJQANCHMSA-N 2 0 349.519 1.964 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000626920210 451004057 /nfs/dbraw/zinc/00/40/57/451004057.db2.gz WEYRLPJIDLHUIO-KRWDZBQOSA-N 2 0 334.464 1.822 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2COCC[NH2+]2)[NH+](C)C)cc1 ZINC000626921582 451004656 /nfs/dbraw/zinc/00/46/56/451004656.db2.gz DERREWOHMNXKFL-SJORKVTESA-N 2 0 334.464 1.139 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000626929229 451012802 /nfs/dbraw/zinc/01/28/02/451012802.db2.gz RBPHAOHSWKXZPU-UOVPBQLFSA-N 2 0 338.496 1.127 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccsc1 ZINC000626934988 451017403 /nfs/dbraw/zinc/01/74/03/451017403.db2.gz TVEMMDDIJLYEDV-CYBMUJFWSA-N 2 0 326.466 1.158 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626995200 451061087 /nfs/dbraw/zinc/06/10/87/451061087.db2.gz QNRSMMMUURLHNA-UHFFFAOYSA-N 2 0 340.512 1.552 20 0 EDADRP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627012381 451077252 /nfs/dbraw/zinc/07/72/52/451077252.db2.gz ZBGAFJCQOGGNSD-LSDHHAIUSA-N 2 0 326.485 1.304 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N(C)CCOCC[NH3+])[NH+](C)C ZINC000627033391 451091466 /nfs/dbraw/zinc/09/14/66/451091466.db2.gz IILOZUMHJSVZJY-WBVHZDCISA-N 2 0 336.480 1.603 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC1 ZINC000627086037 451118148 /nfs/dbraw/zinc/11/81/48/451118148.db2.gz FKLRXGBSCKHNCF-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@@H]1CCSC1 ZINC000633944619 451119028 /nfs/dbraw/zinc/11/90/28/451119028.db2.gz KCYZZBFIYIIYGF-OAHLLOKOSA-N 2 0 325.522 1.901 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000627106555 451126330 /nfs/dbraw/zinc/12/63/30/451126330.db2.gz JHHBLMNERCPBHY-GJZGRUSLSA-N 2 0 326.485 1.399 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CC[C@H]1C(F)(F)F ZINC000627110541 451128490 /nfs/dbraw/zinc/12/84/90/451128490.db2.gz CGLGEPUBSKIQQY-CHWSQXEVSA-N 2 0 336.402 1.545 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)CC2)c1 ZINC000627197720 451181150 /nfs/dbraw/zinc/18/11/50/451181150.db2.gz MWOWQXUZQCAIRS-ZIAGYGMSSA-N 2 0 333.436 1.062 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627198488 451181205 /nfs/dbraw/zinc/18/12/05/451181205.db2.gz LODNXBISPMXTTL-BRWVUGGUSA-N 3 0 339.528 1.184 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C[NH2+]1 ZINC000627209168 451187718 /nfs/dbraw/zinc/18/77/18/451187718.db2.gz DAZVKODMIJESKX-ZFVVBOAOSA-N 2 0 334.439 1.792 20 0 EDADRP CN(C(=O)N[C@@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000627248259 451208127 /nfs/dbraw/zinc/20/81/27/451208127.db2.gz UZMPOPOONXRCRH-MRXNPFEDSA-N 2 0 331.464 1.092 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000635743897 451213159 /nfs/dbraw/zinc/21/31/59/451213159.db2.gz OSTNLFAKUOXEKI-SFHVURJKSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)o2)(N2CCOCC2)CC1 ZINC000628310042 451214165 /nfs/dbraw/zinc/21/41/65/451214165.db2.gz KHOUHGOYTAMZPC-UHFFFAOYSA-N 2 0 334.464 1.438 20 0 EDADRP CC[C@@H](C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1)[NH+](CC)CC ZINC000634195562 451232666 /nfs/dbraw/zinc/23/26/66/451232666.db2.gz DAHSSDFRGXEFBA-INIZCTEOSA-N 2 0 333.480 1.892 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000638084588 451248173 /nfs/dbraw/zinc/24/81/73/451248173.db2.gz FMPMEVZPVAZSAO-CMKODMSKSA-N 2 0 345.487 1.434 20 0 EDADRP CN(C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638099096 451265081 /nfs/dbraw/zinc/26/50/81/451265081.db2.gz FPWYPAUNBWHRSD-ROUUACIJSA-N 2 0 330.476 1.141 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638101071 451267266 /nfs/dbraw/zinc/26/72/66/451267266.db2.gz SNXJIEBOUWNSRR-LMMKCTJWSA-N 2 0 346.519 1.825 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000638102615 451268741 /nfs/dbraw/zinc/26/87/41/451268741.db2.gz VDTDCYFPGGNTKC-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)cn1 ZINC000638118337 451287082 /nfs/dbraw/zinc/28/70/82/451287082.db2.gz XTPMGVSMKQHVFW-UHFFFAOYSA-N 2 0 349.504 1.417 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638103070 451271166 /nfs/dbraw/zinc/27/11/66/451271166.db2.gz YZCIZHDIGLDKBW-RBUKOAKNSA-N 2 0 344.503 1.533 20 0 EDADRP C[N@H+](CC(=O)N(CCN1CCOCC1)[C@H]1CCSC1)C1CCC1 ZINC000640346873 451274916 /nfs/dbraw/zinc/27/49/16/451274916.db2.gz AVZVMGSBKBLLDY-INIZCTEOSA-N 2 0 341.521 1.137 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000638108965 451276502 /nfs/dbraw/zinc/27/65/02/451276502.db2.gz PODZWNVZUKKARZ-HBFSDRIKSA-N 2 0 343.471 1.617 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638111254 451279713 /nfs/dbraw/zinc/27/97/13/451279713.db2.gz MSCNNZTYYJXMMI-OALUTQOASA-N 2 0 346.519 1.540 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638115008 451283147 /nfs/dbraw/zinc/28/31/47/451283147.db2.gz FGNPIONTZPBZCK-OALUTQOASA-N 2 0 346.519 1.826 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638133327 451305465 /nfs/dbraw/zinc/30/54/65/451305465.db2.gz KPKXMGPFMWDSFJ-INIZCTEOSA-N 2 0 346.475 1.251 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638137090 451309876 /nfs/dbraw/zinc/30/98/76/451309876.db2.gz RFRCJMSOSXGFKD-LJQANCHMSA-N 2 0 342.487 1.488 20 0 EDADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638144723 451318570 /nfs/dbraw/zinc/31/85/70/451318570.db2.gz DULQYXMZHFYYPD-ICSRJNTNSA-N 2 0 345.487 1.641 20 0 EDADRP C[C@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000640444913 451320562 /nfs/dbraw/zinc/32/05/62/451320562.db2.gz OHPAPSFBXBLTQG-KBPBESRZSA-N 2 0 334.468 1.706 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000638201504 451352258 /nfs/dbraw/zinc/35/22/58/451352258.db2.gz MJJCZZFQDDJBQU-GOSISDBHSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638236580 451374423 /nfs/dbraw/zinc/37/44/23/451374423.db2.gz YRJWFPMZWNMTAB-RDJZCZTQSA-N 2 0 330.476 1.318 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000638258033 451384150 /nfs/dbraw/zinc/38/41/50/451384150.db2.gz FDGPKCYDHVMCCL-RMRDIRSESA-N 2 0 349.450 1.402 20 0 EDADRP C[C@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C1CC[NH+](C)CC1)[NH+](C)C ZINC000635894080 451338104 /nfs/dbraw/zinc/33/81/04/451338104.db2.gz FZSYUUBOBPIOCW-ZBFHGGJFSA-N 2 0 327.513 1.656 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C)C[NH+]3CCOCC3)C2)cc1 ZINC000634457329 451347283 /nfs/dbraw/zinc/34/72/83/451347283.db2.gz WHSDJDWNJBEDTH-IEBWSBKVSA-N 2 0 345.487 1.654 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000638274351 451393210 /nfs/dbraw/zinc/39/32/10/451393210.db2.gz FMFRWOVPWVUSBC-KSSFIOAISA-N 2 0 333.476 1.754 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000638286305 451402766 /nfs/dbraw/zinc/40/27/66/451402766.db2.gz POCIGPVCQSJRFA-XPYUAMARSA-N 2 0 331.460 1.390 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000638292932 451408754 /nfs/dbraw/zinc/40/87/54/451408754.db2.gz ZIRAAAOXLQDIHQ-UHFFFAOYSA-N 2 0 331.464 1.664 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630816949 451418338 /nfs/dbraw/zinc/41/83/38/451418338.db2.gz NRPMTMOJTOVQDP-BZUAXINKSA-N 2 0 335.496 1.541 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638304677 451418670 /nfs/dbraw/zinc/41/86/70/451418670.db2.gz JNWNLXVRHDQOEQ-KDOFPFPSSA-N 2 0 332.448 1.102 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306428 451421780 /nfs/dbraw/zinc/42/17/80/451421780.db2.gz CKZKQAGOVYBLOV-WDYCEAGBSA-N 2 0 331.460 1.392 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000638310821 451424347 /nfs/dbraw/zinc/42/43/47/451424347.db2.gz VKFCREBZATZGJB-FHWLQOOXSA-N 2 0 344.503 1.388 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCOC(C)(C)C2)(N2CCOCC2)CC1 ZINC000634685854 451464116 /nfs/dbraw/zinc/46/41/16/451464116.db2.gz WVWYJPPQCIPXCO-INIZCTEOSA-N 2 0 325.497 1.330 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)C[C@](C)(O)C3CC3)CC2)CC1 ZINC000634700551 451475038 /nfs/dbraw/zinc/47/50/38/451475038.db2.gz BKCFJVMKGHPGKZ-MOPGFXCFSA-N 2 0 339.524 1.047 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)Cc2cccc3c2CC[NH2+]C3)c(F)c1 ZINC000638387303 451479212 /nfs/dbraw/zinc/47/92/12/451479212.db2.gz CFSGYMHVSBJYBM-UHFFFAOYSA-N 2 0 327.403 1.789 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000638391581 451482311 /nfs/dbraw/zinc/48/23/11/451482311.db2.gz UPEDXZJTTLEJKH-CYGHRXIMSA-N 2 0 333.476 1.895 20 0 EDADRP COc1cc(F)cc(OC)c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000631039464 451547798 /nfs/dbraw/zinc/54/77/98/451547798.db2.gz VTARTEILCZXTMQ-UHFFFAOYSA-N 2 0 339.455 1.959 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000638432043 451512406 /nfs/dbraw/zinc/51/24/06/451512406.db2.gz IXRVUGGJLJPVOZ-SFHVURJKSA-N 2 0 331.460 1.933 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000638546202 451571306 /nfs/dbraw/zinc/57/13/06/451571306.db2.gz CITSPSRFCSEGDE-MJBXVCDLSA-N 2 0 329.366 1.542 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC[N@@H+]1C ZINC000631079354 451572085 /nfs/dbraw/zinc/57/20/85/451572085.db2.gz GGSSNTIRSPCUKF-HKUYNNGSSA-N 2 0 347.503 1.970 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631086646 451576601 /nfs/dbraw/zinc/57/66/01/451576601.db2.gz ZLIOVKPLKJQLMO-UHFFFAOYSA-N 2 0 334.464 1.504 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000638571882 451583459 /nfs/dbraw/zinc/58/34/59/451583459.db2.gz BAUNKGMDINJOHG-ZWKOTPCHSA-N 2 0 330.476 1.699 20 0 EDADRP Cn1c(C[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc2ccccc21 ZINC000638572098 451583655 /nfs/dbraw/zinc/58/36/55/451583655.db2.gz UEVUIBSEGVRVPV-INIZCTEOSA-N 2 0 328.460 1.855 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000638564126 451578571 /nfs/dbraw/zinc/57/85/71/451578571.db2.gz SLHMFSFMROWGHV-FXPVBKGRSA-N 2 0 347.303 1.514 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCNC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000634951818 451620142 /nfs/dbraw/zinc/62/01/42/451620142.db2.gz HBOGFEQAIWRPNC-OALUTQOASA-N 2 0 344.503 1.624 20 0 EDADRP CC(C)[C@@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836470 451621030 /nfs/dbraw/zinc/62/10/30/451621030.db2.gz FPYGVRATZJQTSK-SJLPKXTDSA-N 2 0 344.463 1.353 20 0 EDADRP [NH3+]CC1(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638633635 451623028 /nfs/dbraw/zinc/62/30/28/451623028.db2.gz CIMYBGAXWVGPLD-KRWDZBQOSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C[NH2+]1 ZINC000638641702 451627170 /nfs/dbraw/zinc/62/71/70/451627170.db2.gz UBAZKZXYOSSGSZ-OCCSQVGLSA-N 2 0 345.447 1.174 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1(C)C ZINC000631252990 451664702 /nfs/dbraw/zinc/66/47/02/451664702.db2.gz CBBPZDMEFKCWLZ-NUEKZKHPSA-N 2 0 343.537 1.842 20 0 EDADRP CC1(C(=O)NCCOCCC[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638662112 451638159 /nfs/dbraw/zinc/63/81/59/451638159.db2.gz KYGMKZBPXWNULG-UHFFFAOYSA-N 2 0 333.476 1.770 20 0 EDADRP CNS(=O)(=O)CCC[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000631230610 451652065 /nfs/dbraw/zinc/65/20/65/451652065.db2.gz ZJNQAYPVFODFPR-UHFFFAOYSA-N 2 0 341.521 1.674 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000631246430 451660035 /nfs/dbraw/zinc/66/00/35/451660035.db2.gz CRFHMCXWILRZCN-FGTMMUONSA-N 2 0 336.524 1.344 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCCCC[C@H]([NH3+])C3)n2)CC1 ZINC000632941196 451661400 /nfs/dbraw/zinc/66/14/00/451661400.db2.gz VSKZOMJAGUHEGF-AWEZNQCLSA-N 2 0 334.468 1.885 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)[C@@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000638830894 451704418 /nfs/dbraw/zinc/70/44/18/451704418.db2.gz GYSULDUFJBAUAL-KGLIPLIRSA-N 2 0 345.365 1.413 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)COCC[NH3+])c1cccc(C(F)(F)F)c1 ZINC000638831187 451704756 /nfs/dbraw/zinc/70/47/56/451704756.db2.gz JLHLMLLKIGSZIS-CYBMUJFWSA-N 2 0 333.354 1.400 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000637078207 451712002 /nfs/dbraw/zinc/71/20/02/451712002.db2.gz ASAUKPHNVUKAJA-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cn1 ZINC000631412723 451729067 /nfs/dbraw/zinc/72/90/67/451729067.db2.gz XXGCPBLAWBGSEV-QGZVFWFLSA-N 2 0 333.480 1.535 20 0 EDADRP CO[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1 ZINC000638985344 451746267 /nfs/dbraw/zinc/74/62/67/451746267.db2.gz DWWVUXKEWFQLQX-QGZVFWFLSA-N 2 0 344.390 1.957 20 0 EDADRP COc1cccc(OCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638987798 451747964 /nfs/dbraw/zinc/74/79/64/451747964.db2.gz JPTOODNVHYQZBG-UHFFFAOYSA-N 2 0 342.399 1.517 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2ccc(=O)[nH]c2)CC1 ZINC000639169645 451783752 /nfs/dbraw/zinc/78/37/52/451783752.db2.gz MBCJAUUFPGJCGD-UHFFFAOYSA-N 2 0 348.491 1.847 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2N)(N2CCOCC2)CC1 ZINC000639262522 451801128 /nfs/dbraw/zinc/80/11/28/451801128.db2.gz YOOXZCLTJAVBAE-UHFFFAOYSA-N 2 0 336.455 1.294 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000653272022 451807207 /nfs/dbraw/zinc/80/72/07/451807207.db2.gz VOOCMDFKXPTMOL-SFHVURJKSA-N 2 0 330.476 1.800 20 0 EDADRP Cc1c(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)nnn1C1CC[NH2+]CC1 ZINC000646805928 451853372 /nfs/dbraw/zinc/85/33/72/451853372.db2.gz OQZJQESUMPAGKL-GFCCVEGCSA-N 2 0 342.447 1.461 20 0 EDADRP O=C(CC[NH2+]CC1([NH+]2CCCC2)CCOCC1)Nc1cccnc1 ZINC000644547356 451854248 /nfs/dbraw/zinc/85/42/48/451854248.db2.gz IYJUNWWFZGXQQA-UHFFFAOYSA-N 2 0 332.448 1.645 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000644561570 451861923 /nfs/dbraw/zinc/86/19/23/451861923.db2.gz AXIPPKZJEXYZNF-PKOBYXMFSA-N 2 0 347.503 1.493 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562286 451863665 /nfs/dbraw/zinc/86/36/65/451863665.db2.gz IBQOJEDSYWDMKL-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644574020 451869623 /nfs/dbraw/zinc/86/96/23/451869623.db2.gz NJWXDTJMNIDQIC-UXHICEINSA-N 2 0 333.520 1.986 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)COC1CCOCC1 ZINC000644582541 451875688 /nfs/dbraw/zinc/87/56/88/451875688.db2.gz VJLOVVQRRUSPNO-SFHVURJKSA-N 2 0 340.508 1.930 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000646848284 451885637 /nfs/dbraw/zinc/88/56/37/451885637.db2.gz NUQOUBYYFFZYEC-SZMVWBNQSA-N 2 0 331.460 1.473 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000649278722 451948993 /nfs/dbraw/zinc/94/89/93/451948993.db2.gz YLOMYQOCKBIFNF-WMZOPIPTSA-N 2 0 335.448 1.183 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC[NH2+]1 ZINC000649278623 451950006 /nfs/dbraw/zinc/95/00/06/451950006.db2.gz RBELKKVPDRYKCO-PKOBYXMFSA-N 2 0 331.460 1.708 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]CC3(C)C)cc2)CC1 ZINC000649273638 451946114 /nfs/dbraw/zinc/94/61/14/451946114.db2.gz YPNNOIFVZMSZOY-UHFFFAOYSA-N 2 0 330.476 1.653 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000653434437 451947781 /nfs/dbraw/zinc/94/77/81/451947781.db2.gz BCAMEXBAPOUUBV-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP COCCC1(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000649280653 451952880 /nfs/dbraw/zinc/95/28/80/451952880.db2.gz BOWOMADZKDQDOS-MRXNPFEDSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C[C@H](C)O1 ZINC000649284543 451958147 /nfs/dbraw/zinc/95/81/47/451958147.db2.gz FYRLPENOCYSKNW-ZENOOKHLSA-N 2 0 339.867 1.955 20 0 EDADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000649305301 451981241 /nfs/dbraw/zinc/98/12/41/451981241.db2.gz LGABLWDNAZKAQC-RCCFBDPRSA-N 2 0 331.460 1.392 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649308501 451984926 /nfs/dbraw/zinc/98/49/26/451984926.db2.gz KQEQHRXDFHTFQO-CQSZACIVSA-N 2 0 341.402 1.488 20 0 EDADRP CN(C(=O)[C@H]1CCC[C@H]1C[NH3+])C1CC[NH+](CCc2ccccn2)CC1 ZINC000649311704 451990072 /nfs/dbraw/zinc/99/00/72/451990072.db2.gz GZKXXSADDYZMIB-LPHOPBHVSA-N 2 0 344.503 1.922 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312977 451990850 /nfs/dbraw/zinc/99/08/50/451990850.db2.gz RYWAYJDSFCMEOL-QLPKVWCKSA-N 2 0 331.485 1.948 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@]2(N)CC[N@H+](C)C2)CCCC1)c1ccccc1 ZINC000649331707 452012994 /nfs/dbraw/zinc/01/29/94/452012994.db2.gz PFJVYVHJKMJRRW-UZLBHIALSA-N 2 0 344.503 1.799 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000649332172 452013493 /nfs/dbraw/zinc/01/34/93/452013493.db2.gz ASYVWEZZBKMASF-MRXNPFEDSA-N 2 0 344.459 1.449 20 0 EDADRP COCCC1(C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000649341992 452022446 /nfs/dbraw/zinc/02/24/46/452022446.db2.gz GSHBVIOIHZYVHE-QGZVFWFLSA-N 2 0 337.508 1.727 20 0 EDADRP C[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649344610 452024116 /nfs/dbraw/zinc/02/41/16/452024116.db2.gz HDBWFPWFMHZHAN-WMZOPIPTSA-N 2 0 331.460 1.345 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2cccnc21 ZINC000644856026 452030942 /nfs/dbraw/zinc/03/09/42/452030942.db2.gz HEQCFMKZCMWKOD-MSOLQXFVSA-N 2 0 344.503 1.986 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)CCC(C)(C)[NH3+])cn2)CC1 ZINC000649350622 452034189 /nfs/dbraw/zinc/03/41/89/452034189.db2.gz SVULVNFXVSIWDO-UHFFFAOYSA-N 2 0 333.480 1.357 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN[C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000653682033 452074854 /nfs/dbraw/zinc/07/48/54/452074854.db2.gz RRKVGYGAOKNMHK-IXDOHACOSA-N 2 0 325.884 1.987 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649414688 452075812 /nfs/dbraw/zinc/07/58/12/452075812.db2.gz QUPFKPHEMHRONM-QGZVFWFLSA-N 2 0 332.492 1.359 20 0 EDADRP [NH3+]C1(CC(=O)NC[C@@H]2CCCC[NH2+]2)CCN(Cc2ccccc2)CC1 ZINC000637817364 452098342 /nfs/dbraw/zinc/09/83/42/452098342.db2.gz UTOQOSDZBNWESE-SFHVURJKSA-N 2 0 344.503 1.628 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](CC[C@@H]2Sc3ccccc3NC2=O)C1 ZINC000639761213 452099260 /nfs/dbraw/zinc/09/92/60/452099260.db2.gz FAUAGDFJYMSVIT-WMZOPIPTSA-N 2 0 349.500 1.878 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637823535 452102155 /nfs/dbraw/zinc/10/21/55/452102155.db2.gz RKNHDZYIWOIHCI-NSHGMRRFSA-N 2 0 343.471 1.332 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637822997 452102726 /nfs/dbraw/zinc/10/27/26/452102726.db2.gz CCXHCMCAHYDLBO-WDYCEAGBSA-N 2 0 331.460 1.379 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000639765161 452106181 /nfs/dbraw/zinc/10/61/81/452106181.db2.gz HSBZDOZSNHVCFO-LJQANCHMSA-N 2 0 339.524 1.660 20 0 EDADRP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000641623180 452142884 /nfs/dbraw/zinc/14/28/84/452142884.db2.gz GANWIQPRIZYHJW-SJORKVTESA-N 2 0 345.553 1.854 20 0 EDADRP Cc1cccc2cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])sc21 ZINC000647324327 452179148 /nfs/dbraw/zinc/17/91/48/452179148.db2.gz SSGMQXVGJQDUDD-UHFFFAOYSA-N 2 0 341.502 1.898 20 0 EDADRP C[C@@H](Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000643465649 452236146 /nfs/dbraw/zinc/23/61/46/452236146.db2.gz KMYZTWQVCGNXRO-KDOFPFPSSA-N 2 0 330.476 1.936 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](CO)C1 ZINC000639937621 452249971 /nfs/dbraw/zinc/24/99/71/452249971.db2.gz VLYZTPVSBULLKA-BPQIPLTHSA-N 2 0 333.476 1.498 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CCCC1 ZINC000659424895 452267096 /nfs/dbraw/zinc/26/70/96/452267096.db2.gz HXYRTBZNZLPKTQ-UHFFFAOYSA-N 2 0 338.496 1.592 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)N(C)CC(C)(C)[NH3+])cn2)CC1 ZINC000659433540 452279772 /nfs/dbraw/zinc/27/97/72/452279772.db2.gz LQPKDRWSJRHQHI-UHFFFAOYSA-N 2 0 348.495 1.102 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659438070 452286622 /nfs/dbraw/zinc/28/66/22/452286622.db2.gz OJGAPCZPXKDHIP-HFCFLWKCSA-N 2 0 328.460 1.784 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C[C@@H](O)C[N@H+](C)CCOC)CC1 ZINC000639986418 452317526 /nfs/dbraw/zinc/31/75/26/452317526.db2.gz MKQRUGOAHWIZAX-KRWDZBQOSA-N 2 0 327.513 1.266 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCOC1 ZINC000638050065 452319361 /nfs/dbraw/zinc/31/93/61/452319361.db2.gz JTFBDGIPKMYYKY-IEBWSBKVSA-N 2 0 331.460 1.695 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659468531 452325441 /nfs/dbraw/zinc/32/54/41/452325441.db2.gz BPPYFTXTYMLLLZ-HCMQPCSISA-N 2 0 328.460 1.782 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000638055345 452339256 /nfs/dbraw/zinc/33/92/56/452339256.db2.gz HTKLCCDXEBHHML-IRXDYDNUSA-N 2 0 335.448 1.168 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(Br)cnn1C ZINC000657573136 452341965 /nfs/dbraw/zinc/34/19/65/452341965.db2.gz KIALDXIIEWRFIR-LBPRGKRZSA-N 2 0 346.317 1.544 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659485463 452345561 /nfs/dbraw/zinc/34/55/61/452345561.db2.gz QMOOSNAMRNBBNT-KRWDZBQOSA-N 2 0 348.491 1.656 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638058309 452348934 /nfs/dbraw/zinc/34/89/34/452348934.db2.gz ARFMEALPNPRUIT-RVKKMQEKSA-N 2 0 349.475 1.181 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(C[NH3+])CCCOC2)c1 ZINC000638063679 452360679 /nfs/dbraw/zinc/36/06/79/452360679.db2.gz GBUDNASKAHCBQA-LJQANCHMSA-N 2 0 333.476 1.900 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000638066154 452370535 /nfs/dbraw/zinc/37/05/35/452370535.db2.gz DMFOQRMPGCBRPD-HKUYNNGSSA-N 2 0 347.459 1.349 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659509490 452373426 /nfs/dbraw/zinc/37/34/26/452373426.db2.gz GNYLZFNYUUCGDE-COXVUDFISA-N 2 0 334.439 1.570 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000659511679 452376105 /nfs/dbraw/zinc/37/61/05/452376105.db2.gz ZHUNDTUQEDBLBC-SFHVURJKSA-N 2 0 330.476 1.697 20 0 EDADRP [NH3+]C1CCC(NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659518725 452382107 /nfs/dbraw/zinc/38/21/07/452382107.db2.gz JMXVXBFWHUPYEY-UHFFFAOYSA-N 2 0 345.491 1.863 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](CO)[C@H](C(F)(F)F)C2)CC1 ZINC000640043098 452382666 /nfs/dbraw/zinc/38/26/66/452382666.db2.gz BNTYXEUNAMGXPN-LSDHHAIUSA-N 2 0 337.430 1.505 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2OCC[C@@H]2[NH3+])cc1Cl ZINC000638079745 452394301 /nfs/dbraw/zinc/39/43/01/452394301.db2.gz HOEPAWVGGGIFAB-GXTWGEPZSA-N 2 0 327.812 1.335 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659537604 452398485 /nfs/dbraw/zinc/39/84/85/452398485.db2.gz SWMDMRZYEVBFNZ-YJBOKZPZSA-N 2 0 345.491 1.591 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC2([NH3+])CCC2)[C@H](c2ccccc2)C1 ZINC000645434678 452406052 /nfs/dbraw/zinc/40/60/52/452406052.db2.gz QWZPTCAQWIUOQM-SFHVURJKSA-N 2 0 344.503 1.753 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659553188 452408850 /nfs/dbraw/zinc/40/88/50/452408850.db2.gz HOZIIYXBKACNCE-BASLNEPJSA-N 2 0 334.439 1.698 20 0 EDADRP [NH3+]CC1(CCNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659558690 452414510 /nfs/dbraw/zinc/41/45/10/452414510.db2.gz BZFHGUIOYMXFNA-HZPDHXFCSA-N 2 0 334.439 1.699 20 0 EDADRP CC[N@H+](CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)C1CCCCC1 ZINC000652227705 452418782 /nfs/dbraw/zinc/41/87/82/452418782.db2.gz MUTSDRHLKXKPBJ-RDJZCZTQSA-N 2 0 340.512 1.789 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000645452534 452420931 /nfs/dbraw/zinc/42/09/31/452420931.db2.gz QSUFNPUVKBXAAX-SFHVURJKSA-N 2 0 344.503 1.309 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659580824 452435254 /nfs/dbraw/zinc/43/52/54/452435254.db2.gz FTVOHDNVBALLDU-ZTFGCOKTSA-N 2 0 348.466 1.912 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659582172 452438816 /nfs/dbraw/zinc/43/88/16/452438816.db2.gz QFIFDXFTHFBKDB-NSNWQYSKSA-N 2 0 334.439 1.663 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659584057 452439963 /nfs/dbraw/zinc/43/99/63/452439963.db2.gz WVKOKRJRDDJDHN-BMGDILEWSA-N 2 0 348.466 1.864 20 0 EDADRP CC(=O)N1CC[NH+]([C@H]2CN(c3[nH+]ccc4[nH]ccc43)C[C@H]2C)CC1 ZINC000663702869 452441081 /nfs/dbraw/zinc/44/10/81/452441081.db2.gz MXWJDSWNZALEPS-DYVFJYSZSA-N 2 0 327.432 1.552 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659589215 452445407 /nfs/dbraw/zinc/44/54/07/452445407.db2.gz MTPLTDDXKVBFEF-FSDCSDTHSA-N 2 0 332.423 1.132 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000663715235 452451887 /nfs/dbraw/zinc/45/18/87/452451887.db2.gz DJIMHJZUFIOZRB-BBWFWOEESA-N 2 0 339.528 1.184 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654434980 452492212 /nfs/dbraw/zinc/49/22/12/452492212.db2.gz IDCMFZNLZDPFPO-YESZJQIVSA-N 2 0 338.496 1.101 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC2CC[NH+](CC3CC3)CC2)C[C@H]1C[NH3+] ZINC000659639090 452503244 /nfs/dbraw/zinc/50/32/44/452503244.db2.gz AIOQVJRNRXGEPV-IAGOWNOFSA-N 2 0 338.496 1.114 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000654443835 452506435 /nfs/dbraw/zinc/50/64/35/452506435.db2.gz BKKGDUZEMRKJOC-JKSUJKDBSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)nc2)CC1 ZINC000645552192 452519566 /nfs/dbraw/zinc/51/95/66/452519566.db2.gz OITRKEAWJPICKI-RDTXWAMCSA-N 2 0 329.448 1.162 20 0 EDADRP c1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(CN2CCOCC2)c1 ZINC000647784398 452520523 /nfs/dbraw/zinc/52/05/23/452520523.db2.gz SPNSRVPUPKMPGT-SLFFLAALSA-N 2 0 329.488 1.997 20 0 EDADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000647791581 452524463 /nfs/dbraw/zinc/52/44/63/452524463.db2.gz HVUHYEJRPMIGRE-QXSJWSMHSA-N 2 0 329.444 1.778 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCN1Cc1ccc(F)cc1 ZINC000647794912 452526220 /nfs/dbraw/zinc/52/62/20/452526220.db2.gz FRYVAHYTMRUBHB-CYGHRXIMSA-N 2 0 331.435 1.904 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1C[C@@H]2CCC[C@]2(C[NH3+])C1)c1ccccc1 ZINC000652352683 452528955 /nfs/dbraw/zinc/52/89/55/452528955.db2.gz MYWHQAGYDJYHIG-BJLQDIEVSA-N 2 0 344.503 1.466 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647796779 452529557 /nfs/dbraw/zinc/52/95/57/452529557.db2.gz NMDRTGQVZAGHOY-RRFJBIMHSA-N 2 0 327.428 1.650 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655722951 452537296 /nfs/dbraw/zinc/53/72/96/452537296.db2.gz JUDKGVGKNGTRPI-KRWDZBQOSA-N 2 0 325.497 1.065 20 0 EDADRP O=C1[C@@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000655726743 452539343 /nfs/dbraw/zinc/53/93/43/452539343.db2.gz DQVKJZMXLGCQKR-KBPBESRZSA-N 2 0 349.397 1.383 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccccc2F)C1 ZINC000652361269 452540756 /nfs/dbraw/zinc/54/07/56/452540756.db2.gz BKOLWOMGYCSZEO-NJAFHUGGSA-N 2 0 349.450 1.803 20 0 EDADRP Nc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nc2ccccc12 ZINC000652363386 452545368 /nfs/dbraw/zinc/54/53/68/452545368.db2.gz CSOKVOUYSQALBP-XYPHTWIQSA-N 2 0 341.459 1.903 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)NCC2([NH3+])CCCC2)([NH+](C)C)C1 ZINC000659681139 452555340 /nfs/dbraw/zinc/55/53/40/452555340.db2.gz XRGMDXDNGUFGQU-KBXCAEBGSA-N 2 0 338.496 1.001 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000655762735 452565332 /nfs/dbraw/zinc/56/53/32/452565332.db2.gz IIZMKGAQRADCTC-SFHVURJKSA-N 2 0 338.540 1.245 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+](C[C@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000647884402 452623998 /nfs/dbraw/zinc/62/39/98/452623998.db2.gz LSVBLLIXKLKWDV-WMZOPIPTSA-N 2 0 349.475 1.705 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CCN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904258 452645725 /nfs/dbraw/zinc/64/57/25/452645725.db2.gz ZZCIKHJRLPQJQN-HUUCEWRRSA-N 2 0 334.464 1.315 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000655920653 452683268 /nfs/dbraw/zinc/68/32/68/452683268.db2.gz LUXFTUPHAQYKDE-CYBMUJFWSA-N 2 0 336.402 1.972 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[N@H+](C)C2CCCC2)CCO1 ZINC000664006672 452708700 /nfs/dbraw/zinc/70/87/00/452708700.db2.gz KHDNPYSVDBMPHS-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659855698 452738657 /nfs/dbraw/zinc/73/86/57/452738657.db2.gz JQYIPSZJNPIFHN-BDXSIMOUSA-N 2 0 327.513 1.261 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655959620 452741601 /nfs/dbraw/zinc/74/16/01/452741601.db2.gz VAVPFJKTOGWCRY-IRXDYDNUSA-N 2 0 344.459 1.478 20 0 EDADRP C[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655964875 452746245 /nfs/dbraw/zinc/74/62/45/452746245.db2.gz HWSRQIVJRGCNIQ-KFWWJZLASA-N 2 0 326.485 1.173 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654660149 452775226 /nfs/dbraw/zinc/77/52/26/452775226.db2.gz SLZQYCQIMOTPTC-IXDOHACOSA-N 2 0 340.512 1.469 20 0 EDADRP Cn1ccnc1CN(C(=O)CC1([NH3+])CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000648048962 452782930 /nfs/dbraw/zinc/78/29/30/452782930.db2.gz WWHGEZNSUWWDRF-AWEZNQCLSA-N 2 0 331.464 1.162 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](CN3CCCC3=O)C2)CC1 ZINC000662052030 452799985 /nfs/dbraw/zinc/79/99/85/452799985.db2.gz YXLWMPFTIRPFCH-GOSISDBHSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1C[NH+](CCN2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)C[C@@H](C)O1 ZINC000659911398 452801026 /nfs/dbraw/zinc/80/10/26/452801026.db2.gz XSNHQEPBXWMXBI-QRVBRYPASA-N 2 0 338.540 1.198 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)[nH]1 ZINC000648125242 452840607 /nfs/dbraw/zinc/84/06/07/452840607.db2.gz LDFIDKCYTJSRNP-NSHDSACASA-N 2 0 336.346 1.114 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)C1CCCCC1 ZINC000652699284 452849907 /nfs/dbraw/zinc/84/99/07/452849907.db2.gz UNHLRRATNGMFOE-INIZCTEOSA-N 2 0 340.512 1.247 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[C@H]2C[NH3+])C1 ZINC000648160076 452869906 /nfs/dbraw/zinc/86/99/06/452869906.db2.gz WJDOOIRCNXJDNF-OKZBNKHCSA-N 2 0 330.476 1.737 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)CC1([NH3+])CCC1 ZINC000648175913 452886495 /nfs/dbraw/zinc/88/64/95/452886495.db2.gz DRGQJPGBPGPKGC-WMLDXEAASA-N 2 0 333.480 1.533 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000664225950 452904279 /nfs/dbraw/zinc/90/42/79/452904279.db2.gz MQUFJRJKWRBADG-KRWDZBQOSA-N 2 0 338.496 1.101 20 0 EDADRP COCCCn1nccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708369 452945451 /nfs/dbraw/zinc/94/54/51/452945451.db2.gz YUSWIQXIWFUNMC-LZLYRXPVSA-N 2 0 336.480 1.638 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977739 452965411 /nfs/dbraw/zinc/96/54/11/452965411.db2.gz KDZPULNYZFYTKA-VQIMIIECSA-N 2 0 342.487 1.158 20 0 EDADRP CC[NH2+]CC1CC[NH+](Cc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000662243284 452970214 /nfs/dbraw/zinc/97/02/14/452970214.db2.gz ANKHSTXEUWYVOW-UHFFFAOYSA-N 2 0 325.478 1.416 20 0 EDADRP COc1cc2c(cc1OC)CC[NH+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662254368 452982571 /nfs/dbraw/zinc/98/25/71/452982571.db2.gz PRUOMRVVIJQWCM-INIZCTEOSA-N 2 0 332.444 1.625 20 0 EDADRP C[C@H](CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000646003203 452999151 /nfs/dbraw/zinc/99/91/51/452999151.db2.gz WJSGUVJUOSJLQW-KZNAEPCWSA-N 2 0 336.524 1.251 20 0 EDADRP C(CC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1)C[NH+]1CCOCC1 ZINC000662278953 453005666 /nfs/dbraw/zinc/00/56/66/453005666.db2.gz OKXWDNPHGGSWGE-SFHVURJKSA-N 3 0 337.508 1.332 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298186 453020858 /nfs/dbraw/zinc/02/08/58/453020858.db2.gz UTWWZMWQLIPSBM-SFHVURJKSA-N 2 0 339.524 1.877 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000666654967 453040597 /nfs/dbraw/zinc/04/05/97/453040597.db2.gz WCXMNRKKSQPHJK-MOPGFXCFSA-N 2 0 345.487 1.517 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C(C)(C)C[NH+](C)C ZINC000664371062 453042509 /nfs/dbraw/zinc/04/25/09/453042509.db2.gz OVMDZFZIYODVNK-HOTGVXAUSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@H](NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)C(C)(C)C[NH+](C)C ZINC000664372573 453042682 /nfs/dbraw/zinc/04/26/82/453042682.db2.gz ZKMCJACUPBKDKE-GOEBONIOSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1ncc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000662338945 453055283 /nfs/dbraw/zinc/05/52/83/453055283.db2.gz XMNDQTFCAMVRBR-CQSZACIVSA-N 2 0 346.504 1.964 20 0 EDADRP CC(C)COCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662339003 453055682 /nfs/dbraw/zinc/05/56/82/453055682.db2.gz ZCDMHVSGDZCIDP-INIZCTEOSA-N 2 0 335.496 1.671 20 0 EDADRP Cc1nnsc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337986 453055794 /nfs/dbraw/zinc/05/57/94/453055794.db2.gz ONWFVXQEUPMCSY-ZDUSSCGKSA-N 2 0 347.492 1.359 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccc(F)c1 ZINC000662348022 453062968 /nfs/dbraw/zinc/06/29/68/453062968.db2.gz PGNFGOZTNPTIOB-XJKSGUPXSA-N 2 0 345.422 1.658 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664410380 453071781 /nfs/dbraw/zinc/07/17/81/453071781.db2.gz ZJXZPNWSVLNKJX-OIISXLGYSA-N 2 0 338.496 1.221 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000644149666 453081682 /nfs/dbraw/zinc/08/16/82/453081682.db2.gz COIVXRIFKHYLJL-OAHLLOKOSA-N 2 0 338.402 1.659 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC2C[NH+](C)C2)ccc1C[NH+](C)C ZINC000658540904 453099140 /nfs/dbraw/zinc/09/91/40/453099140.db2.gz FFEVCUDBELWGFO-UHFFFAOYSA-N 2 0 332.448 1.015 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000660179494 453108840 /nfs/dbraw/zinc/10/88/40/453108840.db2.gz KWQRIVFELXRUQO-MRXNPFEDSA-N 2 0 331.526 1.370 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000646105699 453109590 /nfs/dbraw/zinc/10/95/90/453109590.db2.gz CZOZBWNWWFTMNJ-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000666754342 453117761 /nfs/dbraw/zinc/11/77/61/453117761.db2.gz LGFXKKNLJZYARJ-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000655017190 453139571 /nfs/dbraw/zinc/13/95/71/453139571.db2.gz VCVBHFDSPNGQEC-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@H](c1ccccc1)N1CCOCC1 ZINC000660269284 453163427 /nfs/dbraw/zinc/16/34/27/453163427.db2.gz DBHJEEJWQIJJEW-GOSISDBHSA-N 2 0 346.475 1.263 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000646180710 453192028 /nfs/dbraw/zinc/19/20/28/453192028.db2.gz YUFHSYBYUVBOTO-UHFFFAOYSA-N 2 0 340.512 1.117 20 0 EDADRP C[C@@H](CNC(=O)c1cc2c(s1)CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000662479753 453192536 /nfs/dbraw/zinc/19/25/36/453192536.db2.gz LZPUSAZRHSCLDP-ZDUSSCGKSA-N 2 0 336.505 1.007 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000646186654 453200075 /nfs/dbraw/zinc/20/00/75/453200075.db2.gz DIJZKNQMZSGSMZ-HOTGVXAUSA-N 3 0 348.495 1.019 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660335664 453222577 /nfs/dbraw/zinc/22/25/77/453222577.db2.gz DYMYXLMBBJZOCI-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662526671 453246890 /nfs/dbraw/zinc/24/68/90/453246890.db2.gz HYRSRGBXEULDOD-QXSJWSMHSA-N 2 0 345.491 1.964 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000666925758 453252657 /nfs/dbraw/zinc/25/26/57/453252657.db2.gz DIJASWWPLQMUII-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000646264236 453269819 /nfs/dbraw/zinc/26/98/19/453269819.db2.gz MTDCJYLNUSGYFO-XGXHKWSGSA-N 2 0 345.487 1.780 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662575837 453303694 /nfs/dbraw/zinc/30/36/94/453303694.db2.gz QVXNWFXDMATQRI-BHIYHBOVSA-N 2 0 343.471 1.966 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653119722 453308203 /nfs/dbraw/zinc/30/82/03/453308203.db2.gz UGBXPYUFPUVPFG-BJLQDIEVSA-N 2 0 343.471 1.203 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121032 453310992 /nfs/dbraw/zinc/31/09/92/453310992.db2.gz LGEABTFHZCSOOU-JFRXWTBNSA-N 2 0 346.519 1.538 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662588056 453315979 /nfs/dbraw/zinc/31/59/79/453315979.db2.gz AKGOCEILGDJGAO-HNNXBMFYSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646384938 453359641 /nfs/dbraw/zinc/35/96/41/453359641.db2.gz TUQLVVMUTSTFIV-HUUCEWRRSA-N 2 0 346.479 1.054 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653169039 453360646 /nfs/dbraw/zinc/36/06/46/453360646.db2.gz ZYWNHXOFDQWIEJ-AEFFLSMTSA-N 3 0 338.540 1.769 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653185100 453374828 /nfs/dbraw/zinc/37/48/28/453374828.db2.gz WKXAUOUPHJLLMS-LAQRGFTBSA-N 2 0 331.460 1.740 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F)CC1 ZINC000660527176 453374837 /nfs/dbraw/zinc/37/48/37/453374837.db2.gz CTGPKLKNFLMCQJ-KBPBESRZSA-N 2 0 339.402 1.124 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000656698374 453375853 /nfs/dbraw/zinc/37/58/53/453375853.db2.gz PRWRKGJVIPWJDN-LJQANCHMSA-N 2 0 340.556 1.178 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192205 453381505 /nfs/dbraw/zinc/38/15/05/453381505.db2.gz ITRCBHQWEPOMQI-MLHJIOFPSA-N 2 0 331.460 1.301 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000653192291 453382384 /nfs/dbraw/zinc/38/23/84/453382384.db2.gz KHVRSIDRMDSKMT-MKXGPGLRSA-N 2 0 343.471 1.446 20 0 EDADRP CCN(C(=O)NCCC[NH+]1CCCO[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664758950 453383352 /nfs/dbraw/zinc/38/33/52/453383352.db2.gz RBYWKRRPASZXDD-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662673306 453388328 /nfs/dbraw/zinc/38/83/28/453388328.db2.gz JKJKMEZOUUWLMX-HUUCEWRRSA-N 2 0 334.468 1.149 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccn3cc(C)nc3c2)C1 ZINC000658782079 453389680 /nfs/dbraw/zinc/38/96/80/453389680.db2.gz FJNXEIGNYHXVPP-AWEZNQCLSA-N 2 0 329.404 1.182 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662694657 453416609 /nfs/dbraw/zinc/41/66/09/453416609.db2.gz AIGFDVOPDBPDMT-UHFFFAOYSA-N 2 0 344.503 1.336 20 0 EDADRP COCC(COC)N1CCN(Cc2cn3cccc(C)c3n2)CC1 ZINC000664816345 453423080 /nfs/dbraw/zinc/42/30/80/453423080.db2.gz JPINNIPJSJKFMF-UHFFFAOYSA-N 2 0 332.448 1.422 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000662705662 453427726 /nfs/dbraw/zinc/42/77/26/453427726.db2.gz PSVYAPCTHMTCOI-UHFFFAOYSA-N 2 0 342.447 1.559 20 0 EDADRP C[C@]1(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000656787691 453447059 /nfs/dbraw/zinc/44/70/59/453447059.db2.gz RUEVVWQVAFLBCB-FCEWJHQRSA-N 2 0 327.428 1.103 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cn2c(n1)CCCC2 ZINC000651327982 453473322 /nfs/dbraw/zinc/47/33/22/453473322.db2.gz NNSZHWBMRRNGPU-UHFFFAOYSA-N 2 0 349.523 1.494 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000662747736 453476303 /nfs/dbraw/zinc/47/63/03/453476303.db2.gz DCEQUFNCQAEGJE-GOSISDBHSA-N 2 0 345.487 1.648 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662749398 453480811 /nfs/dbraw/zinc/48/08/11/453480811.db2.gz LHGFLICUXJRVLV-KRWDZBQOSA-N 2 0 345.487 1.905 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664919276 453483764 /nfs/dbraw/zinc/48/37/64/453483764.db2.gz ZKXBNFXXOOBLSJ-DOTOQJQBSA-N 2 0 340.512 1.347 20 0 EDADRP [NH3+][C@H]1C[C@H](C(=O)Nc2cccc(N3CC[NH+](CC4CC4)CC3)c2)C1 ZINC000662759145 453498259 /nfs/dbraw/zinc/49/82/59/453498259.db2.gz SXJQDLZMYYAMCE-WKILWMFISA-N 2 0 328.460 1.894 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662762480 453499514 /nfs/dbraw/zinc/49/95/14/453499514.db2.gz WFMDAERUUXTMJT-BZUAXINKSA-N 2 0 346.479 1.197 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C3([NH2+]C4CC4)CCC3)cn2)CC1 ZINC000662785838 453518918 /nfs/dbraw/zinc/51/89/18/453518918.db2.gz MJTUFCOBGZGIEF-UHFFFAOYSA-N 2 0 329.448 1.447 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)cc1 ZINC000662786887 453521319 /nfs/dbraw/zinc/52/13/19/453521319.db2.gz ZNEIALAHNFUZQP-MSOLQXFVSA-N 2 0 347.459 1.093 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1 ZINC000660703645 453528858 /nfs/dbraw/zinc/52/88/58/453528858.db2.gz FTQKZAMYWDYELU-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)[NH+](C)C)c1 ZINC000655442713 453530561 /nfs/dbraw/zinc/53/05/61/453530561.db2.gz XDUDEBLZIRZOFM-AOIWGVFYSA-N 2 0 331.460 1.804 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C[NH3+] ZINC000662818467 453549720 /nfs/dbraw/zinc/54/97/20/453549720.db2.gz YQEJNSYRZJUMDB-QPSCCSFWSA-N 2 0 334.468 1.038 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662830104 453555499 /nfs/dbraw/zinc/55/54/99/453555499.db2.gz JLGPKYOJSGRSIY-KFWWJZLASA-N 2 0 349.500 1.895 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cccc4c3CC[NH2+]C4)C2)C1 ZINC000662829010 453556026 /nfs/dbraw/zinc/55/60/26/453556026.db2.gz OEWGEOVTHBWJIY-GPMSIDNRSA-N 2 0 343.471 1.691 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)on1 ZINC000662877733 453584308 /nfs/dbraw/zinc/58/43/08/453584308.db2.gz GAXRUVRSGRXWFO-CQSZACIVSA-N 2 0 330.388 1.782 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034554 453591211 /nfs/dbraw/zinc/59/12/11/453591211.db2.gz OGGLPFDYCZCKAH-PBHICJAKSA-N 2 0 332.448 1.811 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)[C@@H]2C1 ZINC000659038294 453593527 /nfs/dbraw/zinc/59/35/27/453593527.db2.gz OHRXRROWDKBQOZ-ZTFGCOKTSA-N 2 0 344.459 1.905 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C[N@@H+]1C1CC1 ZINC000660871084 453625281 /nfs/dbraw/zinc/62/52/81/453625281.db2.gz XGQRSRTXLQISRR-UNEWFSDZSA-N 2 0 336.480 1.164 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CCO1 ZINC000662974066 453631515 /nfs/dbraw/zinc/63/15/15/453631515.db2.gz ZSJGLIVNWMNSPH-MTCSXPRVSA-N 2 0 337.508 1.709 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCCO ZINC000665356450 453664366 /nfs/dbraw/zinc/66/43/66/453664366.db2.gz PLTRYSUUSVXABK-HUUCEWRRSA-N 2 0 326.485 1.005 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659288385 453702977 /nfs/dbraw/zinc/70/29/77/453702977.db2.gz HFAOKKLOFGPDCS-AWEZNQCLSA-N 2 0 329.510 1.217 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](CO)Cc2ccccc2)CC1 ZINC000661091045 453711248 /nfs/dbraw/zinc/71/12/48/453711248.db2.gz DVXWIPDJPVAEKK-HXUWFJFHSA-N 2 0 333.520 1.938 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349181 453724217 /nfs/dbraw/zinc/72/42/17/453724217.db2.gz ALOYRIWDPMMAMC-OSRSDYAFSA-N 2 0 337.414 1.915 20 0 EDADRP Cc1nn(C)c2ncc(NC(=O)NCCN(C)CCC[NH+](C)C)cc12 ZINC000665571437 453753412 /nfs/dbraw/zinc/75/34/12/453753412.db2.gz RUTVYQACAXLCDT-UHFFFAOYSA-N 2 0 347.467 1.282 20 0 EDADRP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000661233743 453768277 /nfs/dbraw/zinc/76/82/77/453768277.db2.gz IFMIRXUYZCEWOB-HZPDHXFCSA-N 2 0 327.513 1.874 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCc3cccnc3N3CCCC3)[C@@H]2C1 ZINC000665617632 453768459 /nfs/dbraw/zinc/76/84/59/453768459.db2.gz QHMYWWKHUCWTPG-DOTOQJQBSA-N 2 0 343.475 1.917 20 0 EDADRP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657359513 453774386 /nfs/dbraw/zinc/77/43/86/453774386.db2.gz MWRAYWARNXTAES-INIZCTEOSA-N 2 0 331.508 1.946 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000661316902 453791150 /nfs/dbraw/zinc/79/11/50/453791150.db2.gz YMOICXRHUNJWIG-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+](C)C ZINC000663434227 453797618 /nfs/dbraw/zinc/79/76/18/453797618.db2.gz HXGRPJJNDLJNEJ-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000663502195 453811245 /nfs/dbraw/zinc/81/12/45/453811245.db2.gz DZGVPTPJWNRHJF-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415545424 486750509 /nfs/dbraw/zinc/75/05/09/486750509.db2.gz KHHOUKUZDVKDFL-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(Cc2ccccn2)C1=O)C1CC[NH+](C)CC1 ZINC000680352254 486756862 /nfs/dbraw/zinc/75/68/62/486756862.db2.gz MTDRZAYKTLPDMF-MAUKXSAKSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687311 486761609 /nfs/dbraw/zinc/76/16/09/486761609.db2.gz KQKAOGRCLAKMIO-GDBMZVCRSA-N 2 0 334.468 1.535 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000667507388 486813933 /nfs/dbraw/zinc/81/39/33/486813933.db2.gz QXRDBKLMYPOGBT-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[NH2+]1 ZINC000667518645 486818674 /nfs/dbraw/zinc/81/86/74/486818674.db2.gz ROMWDFIVJXIJMQ-QGZVFWFLSA-N 2 0 346.475 1.186 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC3CC3)C2)cc1 ZINC000680650326 486842232 /nfs/dbraw/zinc/84/22/32/486842232.db2.gz QTTLTVCDAPIBPZ-QGZVFWFLSA-N 2 0 346.475 1.663 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000676699807 486846906 /nfs/dbraw/zinc/84/69/06/486846906.db2.gz FLSPQLYRNLVTPY-ROUUACIJSA-N 2 0 335.492 1.763 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 ZINC000680826865 486860880 /nfs/dbraw/zinc/86/08/80/486860880.db2.gz YUADMDOFNOLQCD-SFHVURJKSA-N 2 0 328.460 1.814 20 0 EDADRP Cc1ncc(CN2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)n1C ZINC000667594556 486864275 /nfs/dbraw/zinc/86/42/75/486864275.db2.gz HRWSNDQJYSEWGA-RDJZCZTQSA-N 2 0 347.507 1.541 20 0 EDADRP C[N@H+](CCCO)C1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667637463 486893026 /nfs/dbraw/zinc/89/30/26/486893026.db2.gz USXUBBXTNIYAMT-UHFFFAOYSA-N 2 0 329.448 1.546 20 0 EDADRP O=C1C[C@]2(CC[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)CN1 ZINC000684026724 486916956 /nfs/dbraw/zinc/91/69/56/486916956.db2.gz HLVAQAUVEWSNLF-HXUWFJFHSA-N 2 0 343.471 1.873 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000684174508 486968533 /nfs/dbraw/zinc/96/85/33/486968533.db2.gz JXXZVBDQAHRTSX-AEFFLSMTSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1)[C@@H]1CN(C)CCO1 ZINC000677335820 487048689 /nfs/dbraw/zinc/04/86/89/487048689.db2.gz CLFSJSGDIPZMJN-XIRDDKMYSA-N 2 0 338.496 1.079 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000673671282 487085839 /nfs/dbraw/zinc/08/58/39/487085839.db2.gz ZMNKAUJIJWBUBL-KRWDZBQOSA-N 2 0 345.491 1.004 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cn1 ZINC000673864602 487138591 /nfs/dbraw/zinc/13/85/91/487138591.db2.gz OEOUYCKMDREIEZ-UHFFFAOYSA-N 2 0 340.391 1.669 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000674329806 487238355 /nfs/dbraw/zinc/23/83/55/487238355.db2.gz OLMCWUJXQOOJSL-AWEZNQCLSA-N 2 0 326.485 1.127 20 0 EDADRP c1nc(N2CC[NH+](C3CC3)CC2)cnc1N1CC[NH+](C2CC2)CC1 ZINC000685269416 487250606 /nfs/dbraw/zinc/25/06/06/487250606.db2.gz GRNOYKPGUBTAAW-UHFFFAOYSA-N 2 0 328.464 1.045 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000681970212 487268362 /nfs/dbraw/zinc/26/83/62/487268362.db2.gz QBCMPYPCQHURCB-LSDHHAIUSA-N 2 0 340.512 1.203 20 0 EDADRP CC[C@@H](CO)N1CCN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000674745402 487308018 /nfs/dbraw/zinc/30/80/18/487308018.db2.gz PUBBUYKHQCLFFV-HNNXBMFYSA-N 2 0 344.419 1.188 20 0 EDADRP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000679066765 487390312 /nfs/dbraw/zinc/39/03/12/487390312.db2.gz URSFOSIKXBCBOC-KSSFIOAISA-N 2 0 334.464 1.171 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000669517767 485484352 /nfs/dbraw/zinc/48/43/52/485484352.db2.gz SCCVGLXUQFYGSP-MRXNPFEDSA-N 2 0 348.491 1.704 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000669530062 485504991 /nfs/dbraw/zinc/50/49/91/485504991.db2.gz PGVZEVQBWSOLFZ-JKSUJKDBSA-N 2 0 338.496 1.258 20 0 EDADRP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556899 485560163 /nfs/dbraw/zinc/56/01/63/485560163.db2.gz NDQOLSCWKAALNM-IPMKNSEASA-N 2 0 342.487 1.806 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCO1 ZINC000669570864 485592441 /nfs/dbraw/zinc/59/24/41/485592441.db2.gz BKEJVJGBXCIWRE-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(N[C@@H]1CCc2[nH]cnc2C1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669588791 485644688 /nfs/dbraw/zinc/64/46/88/485644688.db2.gz XJWIVQBGFAHDMO-RBSFLKMASA-N 2 0 331.464 1.688 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345381278 485973916 /nfs/dbraw/zinc/97/39/16/485973916.db2.gz RFYLQPPJTXTAJV-KURKYZTESA-N 2 0 339.524 1.826 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345925985 485985163 /nfs/dbraw/zinc/98/51/63/485985163.db2.gz AEMZVFLUFJFVSQ-SJORKVTESA-N 2 0 325.497 1.534 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCO1 ZINC000668654356 485999694 /nfs/dbraw/zinc/99/96/94/485999694.db2.gz WFIYKDYQGSCAOT-MAZHCROVSA-N 2 0 338.427 1.186 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CCC(CO)(CO)C1)C1CC[NH+](C)CC1 ZINC000668665256 486015129 /nfs/dbraw/zinc/01/51/29/486015129.db2.gz KRQJNBQNCROJFZ-UHFFFAOYSA-N 2 0 347.503 1.394 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@H](C)[NH3+])CC2)c1 ZINC000669371237 486015396 /nfs/dbraw/zinc/01/53/96/486015396.db2.gz WPMFTICNMHBKGJ-INIZCTEOSA-N 2 0 333.480 1.154 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCOCC2)[C@H](C)C1 ZINC000678601660 486044905 /nfs/dbraw/zinc/04/49/05/486044905.db2.gz BPVSRIASYDOPQC-SJORKVTESA-N 2 0 328.497 1.909 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCCCC2)CCO1 ZINC000668715745 486081785 /nfs/dbraw/zinc/08/17/85/486081785.db2.gz MNKBNAQCUGTHNT-HUUCEWRRSA-N 2 0 326.485 1.399 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000669413949 486122415 /nfs/dbraw/zinc/12/24/15/486122415.db2.gz WYCILLGBOWAQOO-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@H]1CCC[NH2+]C1 ZINC000669420237 486139426 /nfs/dbraw/zinc/13/94/26/486139426.db2.gz FXKMBMGPNPJEMH-MSOLQXFVSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669426300 486146759 /nfs/dbraw/zinc/14/67/59/486146759.db2.gz GUKMSIWDUPUUTM-RDJZCZTQSA-N 2 0 346.475 1.520 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669463814 486216079 /nfs/dbraw/zinc/21/60/79/486216079.db2.gz FHDBJJIMFOZJMM-CVEARBPZSA-N 2 0 336.480 1.025 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000669489291 486260446 /nfs/dbraw/zinc/26/04/46/486260446.db2.gz WELBFZAJOGMXPK-WMLDXEAASA-N 2 0 338.496 1.304 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000669496491 486271615 /nfs/dbraw/zinc/27/16/15/486271615.db2.gz ZYOZMIBWLRXDBN-KRWDZBQOSA-N 2 0 330.476 1.527 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000670406690 486450343 /nfs/dbraw/zinc/45/03/43/486450343.db2.gz AHJSCWSKMBBHGN-RBUKOAKNSA-N 2 0 342.487 1.157 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)CCCO1 ZINC000683375912 491012509 /nfs/dbraw/zinc/01/25/09/491012509.db2.gz JGSYNIBDCMAPPS-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375566 491012535 /nfs/dbraw/zinc/01/25/35/491012535.db2.gz DRWUXPOPXCEGEJ-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000081790160 491181007 /nfs/dbraw/zinc/18/10/07/491181007.db2.gz WSHCUJFSBQCWOO-UHFFFAOYSA-N 2 0 346.519 1.999 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C[C@H](C)O1 ZINC000669007228 491184915 /nfs/dbraw/zinc/18/49/15/491184915.db2.gz MAUHVPRDWPZHHR-WNKDZCFJSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H](C)[NH2+]1 ZINC000153233210 534415455 /nfs/dbraw/zinc/41/54/55/534415455.db2.gz NXCURYNUOGDBAA-HZPDHXFCSA-N 2 0 330.476 1.256 20 0 EDADRP CC[N@H+](CC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC1 ZINC000153462484 527907219 /nfs/dbraw/zinc/90/72/19/527907219.db2.gz ZVIBPCWHAUKKJX-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000187123816 528533855 /nfs/dbraw/zinc/53/38/55/528533855.db2.gz FCKWUKXENVXXAJ-UHFFFAOYSA-N 2 0 348.491 1.048 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCc3ccccc3C(=O)OC)C2)CC1 ZINC000187002328 529151348 /nfs/dbraw/zinc/15/13/48/529151348.db2.gz XVDZZAGERVSKDP-GOSISDBHSA-N 2 0 345.487 1.728 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N(C)C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000261916728 535534097 /nfs/dbraw/zinc/53/40/97/535534097.db2.gz QXKLXFUZLNZSJR-QAPCUYQASA-N 2 0 325.497 1.850 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000345924040 535899919 /nfs/dbraw/zinc/89/99/19/535899919.db2.gz ARKJFQRVZGLTKM-GOSISDBHSA-N 2 0 333.476 1.736 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)C1(C(=O)NCC(C)(C)[NH+](C)C)CCC1 ZINC000124035583 536108171 /nfs/dbraw/zinc/10/81/71/536108171.db2.gz PHFGOGDSKCFHSA-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)nc2)CC1 ZINC000262639681 536114968 /nfs/dbraw/zinc/11/49/68/536114968.db2.gz JNOBGVQOHNGEKW-UONOGXRCSA-N 2 0 331.464 1.678 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248445000 536373226 /nfs/dbraw/zinc/37/32/26/536373226.db2.gz MHLYWZYLUYYOOR-QZTJIDSGSA-N 2 0 346.475 1.147 20 0 EDADRP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C(C)(C)C1 ZINC000347501175 536402111 /nfs/dbraw/zinc/40/21/11/536402111.db2.gz UDJGRWDCKJDZBZ-UHFFFAOYSA-N 2 0 344.503 1.751 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]([NH3+])c3ccccc3)ccn2)CC1 ZINC000237237229 536419078 /nfs/dbraw/zinc/41/90/78/536419078.db2.gz CAHCGBJKIIOPEG-KRWDZBQOSA-N 2 0 339.443 1.263 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000252442436 536859934 /nfs/dbraw/zinc/85/99/34/536859934.db2.gz ZXYFOPCUVGPUKL-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCC[NH+](C)C ZINC000743035456 579468594 /nfs/dbraw/zinc/46/85/94/579468594.db2.gz DRBMUGXCOOVVGS-QGZVFWFLSA-N 2 0 334.533 1.876 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCCn1ccnc1C ZINC000725896868 578301792 /nfs/dbraw/zinc/30/17/92/578301792.db2.gz RCBXPVKJCHFVLR-SFHVURJKSA-N 2 0 349.523 1.846 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)CCN1CCOCC1 ZINC000729335222 578564170 /nfs/dbraw/zinc/56/41/70/578564170.db2.gz UKPAELOUFQUERN-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760495200 580032103 /nfs/dbraw/zinc/03/21/03/580032103.db2.gz HNZXSLKHUXPOOS-UHFFFAOYSA-N 2 0 338.521 1.860 20 0 EDADRP COCCC[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736982323 579038202 /nfs/dbraw/zinc/03/82/02/579038202.db2.gz VVLUNBRODJDDNC-UHFFFAOYSA-N 2 0 330.436 1.457 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)COC ZINC000751011377 579791147 /nfs/dbraw/zinc/79/11/47/579791147.db2.gz OPGZPTPRHFBZRK-HUUCEWRRSA-N 2 0 330.542 1.244 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1scnc1Br ZINC000758278419 579978904 /nfs/dbraw/zinc/97/89/04/579978904.db2.gz GHMLLLFRJAGREF-UHFFFAOYSA-N 2 0 349.298 1.471 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000771325402 580284215 /nfs/dbraw/zinc/28/42/15/580284215.db2.gz WDEVHVPMFGTZKE-QGZVFWFLSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771802996 580294549 /nfs/dbraw/zinc/29/45/49/580294549.db2.gz NAUHRVMDAUOTLF-BMGDILEWSA-N 2 0 331.460 1.126 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC=CO1 ZINC000775033568 580381292 /nfs/dbraw/zinc/38/12/92/580381292.db2.gz OBKLLOSPKAPCBN-MSOLQXFVSA-N 2 0 331.460 1.558 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000787349550 580693782 /nfs/dbraw/zinc/69/37/82/580693782.db2.gz OAHSICBSCVPDAK-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP CN(C)Cc1cnc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000796303147 580950409 /nfs/dbraw/zinc/95/04/09/580950409.db2.gz HKKDTFBOWCTWIZ-AWEZNQCLSA-N 2 0 337.537 1.463 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000893048628 590635895 /nfs/dbraw/zinc/63/58/95/590635895.db2.gz SQRMCGAZRABSEW-VQTJNVASSA-N 2 0 331.504 1.801 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857237 590658140 /nfs/dbraw/zinc/65/81/40/590658140.db2.gz SPCGRQVSDMTRIM-TZMCWYRMSA-N 2 0 336.402 1.845 20 0 EDADRP CN(C)c1cc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)ncn1 ZINC000893119978 590671748 /nfs/dbraw/zinc/67/17/48/590671748.db2.gz XONJWIZXCABSEG-INIZCTEOSA-N 2 0 327.432 1.721 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H](C[NH3+])C1CCCCC1)C2 ZINC000892010065 590741744 /nfs/dbraw/zinc/74/17/44/590741744.db2.gz OJZDCUUMFZJOPP-GFCCVEGCSA-N 2 0 337.493 1.577 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+]C[C@H]1c1cccc(OC)c1 ZINC000892038471 590765364 /nfs/dbraw/zinc/76/53/64/590765364.db2.gz GIKNHNFIQSSKAB-INIZCTEOSA-N 2 0 334.464 1.869 20 0 EDADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)NCC1C[NH2+]C1 ZINC000892047417 590772334 /nfs/dbraw/zinc/77/23/34/590772334.db2.gz SIUGALQHQJQOFZ-UHFFFAOYSA-N 2 0 330.476 1.807 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000892088418 590792317 /nfs/dbraw/zinc/79/23/17/590792317.db2.gz JKPIIOQCLPEMAN-VYDXJSESSA-N 2 0 332.448 1.621 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000892134719 590817097 /nfs/dbraw/zinc/81/70/97/590817097.db2.gz OLYZYXKKQOGGOE-HNNXBMFYSA-N 2 0 328.501 1.504 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000892191928 590857957 /nfs/dbraw/zinc/85/79/57/590857957.db2.gz SYPSPJFDQMAWMB-RRQGHBQHSA-N 2 0 328.460 1.520 20 0 EDADRP OCc1c[nH+]ccc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000893484876 590902897 /nfs/dbraw/zinc/90/28/97/590902897.db2.gz PTMJNDMZPXYONG-SFHVURJKSA-N 2 0 327.428 1.699 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000892324331 590945715 /nfs/dbraw/zinc/94/57/15/590945715.db2.gz SEUAPAKYRVOGCB-GOSISDBHSA-N 2 0 330.476 1.814 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCC3)CC2)CC1 ZINC000892333427 590960995 /nfs/dbraw/zinc/96/09/95/590960995.db2.gz DESTYRUUIUHKBO-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3cnc4n3CCOC4)CC2)CC1 ZINC000893563330 590962935 /nfs/dbraw/zinc/96/29/35/590962935.db2.gz BGMUMRLRYXZBDD-UHFFFAOYSA-N 2 0 347.507 1.263 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)[NH2+]C1 ZINC000892383030 591003388 /nfs/dbraw/zinc/00/33/88/591003388.db2.gz AMTNSFNFPWBYGH-IXDOHACOSA-N 2 0 330.476 1.901 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892484985 591044334 /nfs/dbraw/zinc/04/43/34/591044334.db2.gz RULQAKGOBGCHPJ-LSDHHAIUSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891349470 591054163 /nfs/dbraw/zinc/05/41/63/591054163.db2.gz IJZDFFAADRFYDP-AGIUHOORSA-N 2 0 336.402 1.639 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@]4(CC[NH2+]C4)C3)C2)cc1 ZINC000892530588 591060008 /nfs/dbraw/zinc/06/00/08/591060008.db2.gz RVYXFKSFOBHGKH-ICSRJNTNSA-N 2 0 342.487 1.964 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1C(F)(F)F ZINC000891365715 591062432 /nfs/dbraw/zinc/06/24/32/591062432.db2.gz NOTOPVHQOWXXOL-WZRBSPASSA-N 2 0 334.386 1.249 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000893742923 591072876 /nfs/dbraw/zinc/07/28/76/591072876.db2.gz MXQFNGVYJXBEKR-PVAVHDDUSA-N 2 0 338.496 1.148 20 0 EDADRP C[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[C@H]1c1ccccc1 ZINC000893873938 591124678 /nfs/dbraw/zinc/12/46/78/591124678.db2.gz DUDGFTNCEKUTML-BSDSXHPESA-N 2 0 328.460 1.777 20 0 EDADRP CCN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@H]1CC[NH2+]C1 ZINC000891598217 591142944 /nfs/dbraw/zinc/14/29/44/591142944.db2.gz YWJHJEXTMQXEKQ-KRWDZBQOSA-N 2 0 330.476 1.479 20 0 EDADRP F[C@@H]1CC2(CC[C@@H]1[NH+]1CCC(C[NH+]3CCOCC3)CC1)OCCO2 ZINC000891610714 591148105 /nfs/dbraw/zinc/14/81/05/591148105.db2.gz CJWWMSGPDSODHD-SJORKVTESA-N 2 0 342.455 1.664 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892775944 591171513 /nfs/dbraw/zinc/17/15/13/591171513.db2.gz DZIYEWFFDURGNM-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892789378 591179041 /nfs/dbraw/zinc/17/90/41/591179041.db2.gz NPCFIJRPXVOAEL-KRWDZBQOSA-N 2 0 346.475 1.240 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000892804926 591187857 /nfs/dbraw/zinc/18/78/57/591187857.db2.gz AOOJBLSCABQAJX-SFHVURJKSA-N 2 0 330.432 1.173 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892815004 591190964 /nfs/dbraw/zinc/19/09/64/591190964.db2.gz XTUAMTHAMXZNKH-GOSISDBHSA-N 2 0 330.476 1.684 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[C@@H]1c1ccccc1 ZINC000891722497 591198779 /nfs/dbraw/zinc/19/87/79/591198779.db2.gz CWFPPZVODUCLKU-MJQMVNBJSA-N 2 0 328.460 1.683 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000891748672 591209096 /nfs/dbraw/zinc/20/90/96/591209096.db2.gz SBVAUAQSVGLQNU-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cs1 ZINC000894166871 591214454 /nfs/dbraw/zinc/21/44/54/591214454.db2.gz HZGHAWZBNYSKNN-OAHLLOKOSA-N 2 0 339.505 1.896 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H]2[C@@H](C(=O)OC)C2(F)F)CC1 ZINC000894174380 591217398 /nfs/dbraw/zinc/21/73/98/591217398.db2.gz SFJMPUKMICCIKQ-KGLIPLIRSA-N 2 0 333.423 1.048 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000892933119 591229315 /nfs/dbraw/zinc/22/93/15/591229315.db2.gz FNZFAIYKCGCDBW-CVEARBPZSA-N 2 0 338.496 1.528 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@H]4[C@H]3CCC[NH+]4C)C2)CC1 ZINC000893025265 591258335 /nfs/dbraw/zinc/25/83/35/591258335.db2.gz YZHMRXSIIXOERU-RYQLBKOJSA-N 2 0 349.523 1.033 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000895781448 591273795 /nfs/dbraw/zinc/27/37/95/591273795.db2.gz TYULQLNTFUUJHM-MDZRGWNJSA-N 2 0 349.519 1.961 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCC[C@@H](C(=O)N[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000895932280 591306397 /nfs/dbraw/zinc/30/63/97/591306397.db2.gz MAMUNEOYCDDRNA-SQNIBIBYSA-N 2 0 337.508 1.460 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000896302240 591413968 /nfs/dbraw/zinc/41/39/68/591413968.db2.gz XWOLFZNLTRSQJW-SFHVURJKSA-N 2 0 335.492 1.624 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)[C@H]2C[N@H+](C)CCN2C)cc1 ZINC000896546556 591508913 /nfs/dbraw/zinc/50/89/13/591508913.db2.gz XFNGDAYAQDQBDR-QFBILLFUSA-N 2 0 346.519 1.893 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000896812390 591618003 /nfs/dbraw/zinc/61/80/03/591618003.db2.gz ZLLKHDUBHFQVSE-HOTGVXAUSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000898963045 591618427 /nfs/dbraw/zinc/61/84/27/591618427.db2.gz WPVFJWCYWLQQQI-OAHLLOKOSA-N 2 0 345.447 1.289 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H]2CCN2C(=O)OC(C)(C)C)CC1 ZINC000896907631 591672239 /nfs/dbraw/zinc/67/22/39/591672239.db2.gz PKUNQKVKIOKGAE-HNNXBMFYSA-N 2 0 341.496 1.821 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCO)[C@@H]1c1ccccc1 ZINC000897881151 591704782 /nfs/dbraw/zinc/70/47/82/591704782.db2.gz PQIXZFYFVGBQGA-FHWLQOOXSA-N 2 0 345.487 1.642 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc3oc(=O)oc3c2)C[C@H]1C[NH+](C)C ZINC000895419138 591750907 /nfs/dbraw/zinc/75/09/07/591750907.db2.gz RWRTVBSWTDJXSR-HUUCEWRRSA-N 2 0 333.432 1.557 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1cccc(F)c1 ZINC000895459550 591765129 /nfs/dbraw/zinc/76/51/29/591765129.db2.gz AQUZNDUFZKFQGX-IAGOWNOFSA-N 2 0 335.423 1.265 20 0 EDADRP COc1ccc(-c2ccc(OC)c(C[C@H](C[NH3+])CO)c2)c(C[NH3+])c1 ZINC000899324479 591775900 /nfs/dbraw/zinc/77/59/00/591775900.db2.gz ZTPSFGOYFJKQLM-CYBMUJFWSA-N 2 0 330.428 1.939 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000898274512 591848926 /nfs/dbraw/zinc/84/89/26/591848926.db2.gz CPJAXHWXWWDDAD-FHWLQOOXSA-N 2 0 343.471 1.583 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016988 591869679 /nfs/dbraw/zinc/86/96/79/591869679.db2.gz XCJYUZBSPWUFLP-QUCCMNQESA-N 2 0 345.487 1.744 20 0 EDADRP C[C@@H](C(=O)NCC[N@H+](C)CCO)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000899733876 591929729 /nfs/dbraw/zinc/92/97/29/591929729.db2.gz LTIOJIJXCRCQNH-KRWDZBQOSA-N 2 0 347.503 1.370 20 0 EDADRP COCC[C@@H]1CCN(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000902196860 591943206 /nfs/dbraw/zinc/94/32/06/591943206.db2.gz TUGRYAGILRSOMD-MWDXBVQZSA-N 2 0 339.480 1.012 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900214334 591945384 /nfs/dbraw/zinc/94/53/84/591945384.db2.gz CDIJAKLVNAUFCP-INIZCTEOSA-N 2 0 335.496 1.687 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1([NH3+])CC1 ZINC000902316161 591975620 /nfs/dbraw/zinc/97/56/20/591975620.db2.gz FDYFXYKSBWQWHT-SNVBAGLBSA-N 2 0 326.238 1.648 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(CN3C(=O)CNC3=O)cc2)C1 ZINC000902406051 591987601 /nfs/dbraw/zinc/98/76/01/591987601.db2.gz NIJJFZVHUMCYBR-INIZCTEOSA-N 2 0 344.459 1.606 20 0 EDADRP Cn1ccnc(N2CCC[C@@H]([NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)C2)c1=O ZINC000902384832 591989141 /nfs/dbraw/zinc/98/91/41/591989141.db2.gz VKULUWMLEOHNTB-HUUCEWRRSA-N 2 0 333.480 1.117 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900354169 591993357 /nfs/dbraw/zinc/99/33/57/591993357.db2.gz UXXIPUPRAJCPDI-BZUAXINKSA-N 2 0 335.496 1.541 20 0 EDADRP Cn1nnnc1CCC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902457939 592000146 /nfs/dbraw/zinc/00/01/46/592000146.db2.gz VRDQNUNCRWZNCW-OAHLLOKOSA-N 2 0 338.406 1.881 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900401376 592008619 /nfs/dbraw/zinc/00/86/19/592008619.db2.gz WDBYAIBGKLPRCF-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP CN(c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1)S(C)(=O)=O ZINC000902515791 592008890 /nfs/dbraw/zinc/00/88/90/592008890.db2.gz XWEGMOKPEFNNPC-ARFHVFGLSA-N 2 0 337.489 1.560 20 0 EDADRP CC(C)c1nnc(CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)s1 ZINC000902806144 592062914 /nfs/dbraw/zinc/06/29/14/592062914.db2.gz LVTDLLUWJQTYQK-WDEREUQCSA-N 2 0 325.438 1.523 20 0 EDADRP Cc1cccc(C)c1NC(=O)CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902811586 592068796 /nfs/dbraw/zinc/06/87/96/592068796.db2.gz ZMTAJHRMYVBZIH-LSDHHAIUSA-N 2 0 346.431 1.604 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000902932497 592086628 /nfs/dbraw/zinc/08/66/28/592086628.db2.gz CIADGMHYYHKFCB-MRXNPFEDSA-N 2 0 331.464 1.572 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC(F)(F)C(F)F)C2)CC1 ZINC000900675046 592091088 /nfs/dbraw/zinc/09/10/88/592091088.db2.gz OTJVRTSDTOLRFA-SNVBAGLBSA-N 2 0 325.350 1.562 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NC[C@H](CC(C)C)[NH+](C)C)C1 ZINC000900684605 592093687 /nfs/dbraw/zinc/09/36/87/592093687.db2.gz RYXKQBJYXLAGBC-HOTGVXAUSA-N 2 0 341.496 1.354 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903093318 592121826 /nfs/dbraw/zinc/12/18/26/592121826.db2.gz RDIICSNDCHXAIA-CABCVRRESA-N 2 0 340.512 1.658 20 0 EDADRP CCCCc1noc([C@H](C)[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)n1 ZINC000903491952 592185182 /nfs/dbraw/zinc/18/51/82/592185182.db2.gz HMBIMQVDWZMQSA-JRATXPSKSA-N 2 0 336.436 1.686 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511063 592190485 /nfs/dbraw/zinc/19/04/85/592190485.db2.gz NBBLPSQPIQHGMM-AMBYYYRHSA-N 2 0 348.535 1.677 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1ccnn1CC[NH+](C)C ZINC000900988211 592191453 /nfs/dbraw/zinc/19/14/53/592191453.db2.gz LNMYHUAYBBOXKR-UHFFFAOYSA-N 2 0 349.504 1.710 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)C12CC[NH+](CC1)C2 ZINC000901004635 592193195 /nfs/dbraw/zinc/19/31/95/592193195.db2.gz WSIRNVAQYOLGMS-UHFFFAOYSA-N 2 0 343.471 1.925 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2noc3c2CCCC3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903524993 592197916 /nfs/dbraw/zinc/19/79/16/592197916.db2.gz ITQULZVQNZHOGF-KDOFPFPSSA-N 2 0 332.448 1.290 20 0 EDADRP Cn1nc(C2CC2)nc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507325 592198972 /nfs/dbraw/zinc/19/89/72/592198972.db2.gz WFCQDXSDENXXEQ-IYBDPMFKSA-N 2 0 330.480 1.093 20 0 EDADRP O=C1NCC2(CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)Oc2ccccc21 ZINC000903564191 592211776 /nfs/dbraw/zinc/21/17/76/592211776.db2.gz PXBNVTWAOUGJCU-OAHLLOKOSA-N 2 0 329.444 1.643 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)C[C@H]3C[C@@H]([NH3+])C3)C2=O)c1 ZINC000904345515 592235185 /nfs/dbraw/zinc/23/51/85/592235185.db2.gz IZFULQVKWOEUKG-IIYDPXPESA-N 2 0 333.432 1.478 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN(CC(=O)Nc3ccc(Cl)cc3)CC2)C1 ZINC000904346908 592236025 /nfs/dbraw/zinc/23/60/25/592236025.db2.gz ZNPWIUUXMUFHAX-OTVXOJSOSA-N 2 0 336.867 1.633 20 0 EDADRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000904396471 592244338 /nfs/dbraw/zinc/24/43/38/592244338.db2.gz IEKWLQDMHBGIPE-UHFFFAOYSA-N 2 0 333.432 1.005 20 0 EDADRP O=C(c1ccccc1)N1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723053 592283875 /nfs/dbraw/zinc/28/38/75/592283875.db2.gz SPGVLPMZHIIACB-UYAOXDASSA-N 2 0 343.471 1.603 20 0 EDADRP CN(CC(=O)NCc1cccs1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903728397 592286395 /nfs/dbraw/zinc/28/63/95/592286395.db2.gz AJKDURVSWJFOJO-AWEZNQCLSA-N 2 0 337.489 1.455 20 0 EDADRP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000903729408 592287085 /nfs/dbraw/zinc/28/70/85/592287085.db2.gz MGPASISCJDMILU-OLZOCXBDSA-N 2 0 349.397 1.240 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)n2)c1 ZINC000904601240 592293406 /nfs/dbraw/zinc/29/34/06/592293406.db2.gz CUGKRNBFWHEKRK-PMPSAXMXSA-N 2 0 344.415 1.869 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904627153 592298676 /nfs/dbraw/zinc/29/86/76/592298676.db2.gz WPAQYFILRCRKHG-UHFFFAOYSA-N 2 0 332.448 1.864 20 0 EDADRP CCOCCN1CC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739678 592301123 /nfs/dbraw/zinc/30/11/23/592301123.db2.gz NXQJYBATGSVRMB-QZTJIDSGSA-N 2 0 339.524 1.578 20 0 EDADRP c1cc(-c2nc([C@H]3CN4CCCC[C@@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904642721 592302235 /nfs/dbraw/zinc/30/22/35/592302235.db2.gz DSNNLMMEEQZLDG-CZUORRHYSA-N 2 0 341.415 1.703 20 0 EDADRP COC(=O)[C@H](C)[C@H]([NH2+]C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)c1ccccc1 ZINC000903760146 592306372 /nfs/dbraw/zinc/30/63/72/592306372.db2.gz VDBWFGNYGYWJBS-WMEZAQDKSA-N 2 0 332.444 1.895 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903760991 592308109 /nfs/dbraw/zinc/30/81/09/592308109.db2.gz MKXGYWUBFAADRY-RDBSUJKOSA-N 2 0 347.385 1.874 20 0 EDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)F ZINC000903756839 592313275 /nfs/dbraw/zinc/31/32/75/592313275.db2.gz WMPQMTMEBAHYGA-CABCVRRESA-N 2 0 331.451 1.806 20 0 EDADRP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2C[C@]3(CC[NH2+]C3)CO2)no1 ZINC000903780508 592320554 /nfs/dbraw/zinc/32/05/54/592320554.db2.gz HUDAELCWDCNXBW-QZFBELJMSA-N 2 0 332.448 1.857 20 0 EDADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903783748 592321036 /nfs/dbraw/zinc/32/10/36/592321036.db2.gz BSFUEIYRNVZVOB-CRAIPNDOSA-N 2 0 326.481 1.912 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1cc(-c2ccccc2)n[nH]1 ZINC000903832932 592337844 /nfs/dbraw/zinc/33/78/44/592337844.db2.gz TUHAHIBZQDREJT-UHFFFAOYSA-N 2 0 327.432 1.330 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(C3=NC[C@H](C)S3)CC2)C1 ZINC000906806115 592353860 /nfs/dbraw/zinc/35/38/60/592353860.db2.gz IGSUCJZEZQTPAZ-GJZGRUSLSA-N 2 0 338.521 1.744 20 0 EDADRP COC(=O)CCC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903893208 592366114 /nfs/dbraw/zinc/36/61/14/592366114.db2.gz SLGDTFYRQZNSFF-INIZCTEOSA-N 2 0 336.480 1.511 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@@](C)(O)C(F)F)[C@H](c2ccccc2)C1 ZINC000905033144 592371684 /nfs/dbraw/zinc/37/16/84/592371684.db2.gz CIKVZYIQFJCCRJ-FUHWJXTLSA-N 2 0 341.446 1.971 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H](CCC[NH3+])c2ccccc2)cnn1C ZINC000903919579 592377548 /nfs/dbraw/zinc/37/75/48/592377548.db2.gz OIOWQPPXZHIWIN-QFBILLFUSA-N 3 0 329.492 1.916 20 0 EDADRP COc1cc(CN2CC[C@@H]([NH2+]C[C@@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922721 592378705 /nfs/dbraw/zinc/37/87/05/592378705.db2.gz COQSOOPHOKYNTF-UONOGXRCSA-N 2 0 343.418 1.850 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CCN(c3ccccc3)C2)cnn1C ZINC000903923593 592379456 /nfs/dbraw/zinc/37/94/56/592379456.db2.gz YBGPRHNVAMOFDV-WMZOPIPTSA-N 2 0 327.476 1.714 20 0 EDADRP O[C@@H](CCC1(O)CCC1)C[NH2+]Cc1cccc(CN2CCOCC2)c1 ZINC000905051738 592380221 /nfs/dbraw/zinc/38/02/21/592380221.db2.gz HFJSWVXDGOXBGI-IBGZPJMESA-N 2 0 348.487 1.665 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3c(c1)ncn3C)C2 ZINC000903976835 592398270 /nfs/dbraw/zinc/39/82/70/592398270.db2.gz CUZIMMXVCSTEQH-IYOUNJFTSA-N 2 0 328.416 1.286 20 0 EDADRP CN1CCN(c2ccc(-c3noc(C[C@H]4CC[N@H+](C)C4)n3)cn2)CC1 ZINC000903975444 592398357 /nfs/dbraw/zinc/39/83/57/592398357.db2.gz DAHCOVOCNIQEMI-CQSZACIVSA-N 2 0 342.447 1.378 20 0 EDADRP CCn1c(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)nc2ccccc21 ZINC000903978871 592400671 /nfs/dbraw/zinc/40/06/71/592400671.db2.gz NVPCKTTUYXDXDF-KSMMKXTCSA-N 2 0 342.443 1.769 20 0 EDADRP CC[C@](O)(C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C(F)(F)F ZINC000905109543 592410134 /nfs/dbraw/zinc/41/01/34/592410134.db2.gz HOXLSRJEOLVGCU-KBPBESRZSA-N 2 0 325.419 1.551 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1(O)CCCC1 ZINC000905175518 592455503 /nfs/dbraw/zinc/45/55/03/592455503.db2.gz NBGGVBJLBCXTCT-BRWVUGGUSA-N 2 0 326.481 1.010 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202258 592462530 /nfs/dbraw/zinc/46/25/30/592462530.db2.gz GNWXDXUFNXMEET-RBUKOAKNSA-N 2 0 348.487 1.399 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C[C@@]3(C)CCC[NH2+]C3)CC2)C1 ZINC000904318142 592475935 /nfs/dbraw/zinc/47/59/35/592475935.db2.gz MQLHTUNNYCPLMZ-OALUTQOASA-N 2 0 338.540 1.103 20 0 EDADRP C[C@@](O)(C[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(F)(F)C(F)(F)F ZINC000905349347 592502382 /nfs/dbraw/zinc/50/23/82/592502382.db2.gz KEUFLNHZUHWETA-VXGBXAGGSA-N 2 0 348.356 1.762 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334300 592508924 /nfs/dbraw/zinc/50/89/24/592508924.db2.gz QIUOUIOYGTZIRO-GASCZTMLSA-N 2 0 331.526 1.273 20 0 EDADRP [NH3+]CCC[C@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905343078 592512370 /nfs/dbraw/zinc/51/23/70/592512370.db2.gz GGOLDVWJBASTEJ-INIZCTEOSA-N 2 0 325.478 1.386 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)C3(O)CCCC3)C2)[C@@H]1C(C)C ZINC000905502556 592546211 /nfs/dbraw/zinc/54/62/11/592546211.db2.gz KQMJBDIDJZEYMI-ZBRFXRBCSA-N 2 0 340.508 1.112 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000905533845 592554221 /nfs/dbraw/zinc/55/42/21/592554221.db2.gz MCUJBUKPPXAQAO-NALMEZQBSA-N 2 0 328.497 1.786 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907306937 592578902 /nfs/dbraw/zinc/57/89/02/592578902.db2.gz QTSBYQZGNWUQAF-HKUYNNGSSA-N 2 0 339.524 1.802 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000907306940 592578964 /nfs/dbraw/zinc/57/89/64/592578964.db2.gz QTSBYQZGNWUQAF-PKOBYXMFSA-N 2 0 339.524 1.802 20 0 EDADRP C[NH+](C)CC[C@H](NC(=S)NC1CC[NH+](C)CC1)c1cccnc1 ZINC000905660788 592600077 /nfs/dbraw/zinc/60/00/77/592600077.db2.gz MOVZCQHZTCOHQM-INIZCTEOSA-N 2 0 335.521 1.633 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@]1(O)CCOC1 ZINC000905890525 592669343 /nfs/dbraw/zinc/66/93/43/592669343.db2.gz SUPUDASNOGRBGY-UXHICEINSA-N 2 0 348.487 1.665 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(C[C@H](O)c2ccccc2)[C@H](C)C1 ZINC000906085239 592738593 /nfs/dbraw/zinc/73/85/93/592738593.db2.gz KBYMARWPCCBUIP-NXHRZFHOSA-N 2 0 333.476 1.626 20 0 EDADRP O=C(N1CC[NH2+]C[C@@H]1c1ccccc1)C1(n2cccn2)CC[NH2+]CC1 ZINC000906219047 592760311 /nfs/dbraw/zinc/76/03/11/592760311.db2.gz PWGXRHBGCLZYCR-QGZVFWFLSA-N 2 0 339.443 1.135 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)c2cccn2CCN2CCOCC2)CC1 ZINC000909260910 592788267 /nfs/dbraw/zinc/78/82/67/592788267.db2.gz DSDQUMRJUJBQSR-KRWDZBQOSA-N 2 0 348.491 1.377 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000907922456 592846642 /nfs/dbraw/zinc/84/66/42/592846642.db2.gz XNASINMDSDPZKT-DOTOQJQBSA-N 2 0 344.459 1.756 20 0 EDADRP Cc1cc(C)c(C(=O)N2CCO[C@H](CN3CC[NH+](C)CC3)C2)c(C)n1 ZINC000906590605 592852914 /nfs/dbraw/zinc/85/29/14/592852914.db2.gz BXTHGPVJCYXUJZ-QGZVFWFLSA-N 2 0 346.475 1.095 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@@H]1c1cccnc1 ZINC000910420499 592860764 /nfs/dbraw/zinc/86/07/64/592860764.db2.gz BZYYNXCCXBDCSV-WDSOQIARSA-N 2 0 346.475 1.037 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000911304874 592985746 /nfs/dbraw/zinc/98/57/46/592985746.db2.gz CLDFMPDFQVSNAY-KSTDHSDQSA-N 2 0 338.496 1.014 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911820509 593016694 /nfs/dbraw/zinc/01/66/94/593016694.db2.gz SGWUJJLSZORCTJ-VXGBXAGGSA-N 2 0 331.382 1.853 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911830466 593018850 /nfs/dbraw/zinc/01/88/50/593018850.db2.gz ARLIISCQTQMKKF-ZVWUFJHRSA-N 2 0 329.366 1.607 20 0 EDADRP CC[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)N1CCO[C@H](CC)C1 ZINC000911875016 593029095 /nfs/dbraw/zinc/02/90/95/593029095.db2.gz IOWGEJUYUUGIEN-NVXWUHKLSA-N 2 0 341.496 1.232 20 0 EDADRP CC[N@H+](CCCNC(=O)[C@]1(C)C[C@H](O)C[NH+]1C)C1CCCCC1 ZINC000911878102 593029669 /nfs/dbraw/zinc/02/96/69/593029669.db2.gz JAACQUPLYIJLHS-WMZOPIPTSA-N 2 0 325.497 1.602 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[N@H+](C)[C@H](C(C)(C)C)C2)CC1 ZINC000912029875 593050011 /nfs/dbraw/zinc/05/00/11/593050011.db2.gz CFSWCKDCUCSSAI-KRWDZBQOSA-N 2 0 338.540 1.591 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCc2ccnc(-n3ccnc3)c2)C1 ZINC000838093041 593123240 /nfs/dbraw/zinc/12/32/40/593123240.db2.gz GSUFDBZJYYDPCJ-HNNXBMFYSA-N 2 0 342.447 1.798 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CN3C[C@@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086154 593154302 /nfs/dbraw/zinc/15/43/02/593154302.db2.gz KRKXPQZNLISYGA-PMACEKPBSA-N 2 0 342.487 1.947 20 0 EDADRP CCN1CCO[C@@H](C(=O)OCc2ccc(-n3ccnc3)cc2C)C1 ZINC000805473877 593456761 /nfs/dbraw/zinc/45/67/61/593456761.db2.gz JRTNHMNFNQZWAD-QGZVFWFLSA-N 2 0 329.400 1.945 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)c2cccs2)CC[NH2+]CC1 ZINC000817912415 593647758 /nfs/dbraw/zinc/64/77/58/593647758.db2.gz GUYGYSULNLCBKF-BBRMVZONSA-N 2 0 340.489 1.867 20 0 EDADRP O[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000818990005 593732640 /nfs/dbraw/zinc/73/26/40/593732640.db2.gz WHEFGFIBDGICRL-FQEVSTJZSA-N 2 0 340.471 1.917 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccccc1C(F)(F)F ZINC000819032419 593734674 /nfs/dbraw/zinc/73/46/74/593734674.db2.gz FCQQHDRGOVZFID-CJNGLKHVSA-N 2 0 345.409 1.964 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3ccc(F)cc3F)C2)CC1 ZINC000819055488 593736048 /nfs/dbraw/zinc/73/60/48/593736048.db2.gz VXTZLXRIUOEXSX-KSSFIOAISA-N 2 0 339.430 1.756 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)c1ccc(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000819061670 593736621 /nfs/dbraw/zinc/73/66/21/593736621.db2.gz MEJPQMFZKISLQK-ROUUACIJSA-N 2 0 341.446 1.860 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819059676 593736652 /nfs/dbraw/zinc/73/66/52/593736652.db2.gz DGJSFPWBVGTSTO-INIZCTEOSA-N 2 0 327.419 1.614 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000819063234 593736778 /nfs/dbraw/zinc/73/67/78/593736778.db2.gz XRSRJHWKDBTMEC-MRXNPFEDSA-N 2 0 325.884 1.989 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)c2cccc(Cl)c2)CC1 ZINC000819135434 593740966 /nfs/dbraw/zinc/74/09/66/593740966.db2.gz WVGXSRSJLZKCHW-KRWDZBQOSA-N 2 0 325.884 1.989 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821587248 593870728 /nfs/dbraw/zinc/87/07/28/593870728.db2.gz NDRFSFOLSLKTOZ-UHFFFAOYSA-N 2 0 349.508 1.291 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625077 593886234 /nfs/dbraw/zinc/88/62/34/593886234.db2.gz FCZPBSJAGWHPRE-RDJZCZTQSA-N 2 0 342.447 1.662 20 0 EDADRP NS(=O)(=O)c1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)cc1 ZINC000820806567 593894436 /nfs/dbraw/zinc/89/44/36/593894436.db2.gz LBQIANCFSCQCKJ-ZXFUBFMLSA-N 2 0 349.500 1.624 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1nc2c(cc1-c1nn[nH]n1)CCCC2 ZINC000826028533 594310012 /nfs/dbraw/zinc/31/00/12/594310012.db2.gz BVBCCYVRXMAYSL-CYBMUJFWSA-N 2 0 341.463 1.919 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000831480262 594639466 /nfs/dbraw/zinc/63/94/66/594639466.db2.gz BOXIJLUBMUQDCT-UHFFFAOYSA-N 2 0 343.431 1.638 20 0 EDADRP CCO[C@H](CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+](C)C ZINC000831756268 594699976 /nfs/dbraw/zinc/69/99/76/594699976.db2.gz FSKQRMBVCFKSPC-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000841018599 594840460 /nfs/dbraw/zinc/84/04/60/594840460.db2.gz XRKIFVIFXQZZLM-QGZVFWFLSA-N 2 0 331.464 1.784 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3cccc(OCC[NH3+])c3)C2)C1 ZINC000841281924 594880906 /nfs/dbraw/zinc/88/09/06/594880906.db2.gz NCEBFFNJOHQRNK-GOSISDBHSA-N 2 0 332.448 1.974 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000841741640 594946202 /nfs/dbraw/zinc/94/62/02/594946202.db2.gz XFKQTNCCHOFDSZ-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)C1CC1 ZINC000841856603 594966484 /nfs/dbraw/zinc/96/64/84/594966484.db2.gz XJSGXBSAIOXCOT-OAHLLOKOSA-N 2 0 332.448 1.037 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000841876630 594971826 /nfs/dbraw/zinc/97/18/26/594971826.db2.gz VIXIHICVFISPIX-XOYOTBSWSA-N 2 0 330.476 1.934 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCc2ccc(CC[NH3+])cc2)CC1(C)C ZINC000841895441 594975893 /nfs/dbraw/zinc/97/58/93/594975893.db2.gz DMBVQJWXEAQTMB-UHFFFAOYSA-N 2 0 347.507 1.013 20 0 EDADRP C[C@@]1(CNC(=O)N2CC[C@@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000841896448 594976350 /nfs/dbraw/zinc/97/63/50/594976350.db2.gz MJOYCHKRIBMHKB-HKUYNNGSSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000841899082 594977141 /nfs/dbraw/zinc/97/71/41/594977141.db2.gz SDMPPCODOHULDW-VQIMIIECSA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N(CC[NH3+])Cc2ccccc2)cc1 ZINC000841931007 594984244 /nfs/dbraw/zinc/98/42/44/594984244.db2.gz NLHMRJCGCGRJIF-UHFFFAOYSA-N 2 0 326.444 1.858 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000842087603 595015592 /nfs/dbraw/zinc/01/55/92/595015592.db2.gz BPTRFRGGTLPUKX-CQSZACIVSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@]4(F)CC[NH2+]C4)n3)c2)CC1 ZINC000843209800 595036621 /nfs/dbraw/zinc/03/66/21/595036621.db2.gz RYYSVGKYVGHOJO-INIZCTEOSA-N 2 0 332.383 1.042 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000843262321 595057101 /nfs/dbraw/zinc/05/71/01/595057101.db2.gz OUNRDCZNMYZFMT-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1OC ZINC000843354181 595084759 /nfs/dbraw/zinc/08/47/59/595084759.db2.gz WFLDIIPBYRDPQG-UHFFFAOYSA-N 2 0 349.475 1.864 20 0 EDADRP C[N@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000842471548 595113505 /nfs/dbraw/zinc/11/35/05/595113505.db2.gz IHNGBQQCWPRTDG-INIZCTEOSA-N 2 0 346.475 1.393 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843488819 595127095 /nfs/dbraw/zinc/12/70/95/595127095.db2.gz QYNUCAJLWFBRLT-IBGZPJMESA-N 2 0 347.503 1.778 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000843491081 595128551 /nfs/dbraw/zinc/12/85/51/595128551.db2.gz IRGIYFRXOGTVEI-YJBOKZPZSA-N 2 0 346.475 1.492 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000846333140 595208440 /nfs/dbraw/zinc/20/84/40/595208440.db2.gz ZAQLJICGKMWCGE-IAGOWNOFSA-N 2 0 346.475 1.011 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000844169983 595290475 /nfs/dbraw/zinc/29/04/75/595290475.db2.gz DNUVFGINLIRVAX-ROUUACIJSA-N 2 0 331.460 1.489 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000844172768 595291510 /nfs/dbraw/zinc/29/15/10/595291510.db2.gz YLAQNPGDTXWIQR-RTBURBONSA-N 2 0 347.503 1.824 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000844181555 595294412 /nfs/dbraw/zinc/29/44/12/595294412.db2.gz ROCVSTJWPUYYCP-MSOLQXFVSA-N 2 0 337.508 1.870 20 0 EDADRP [NH3+]CCCCCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000844200694 595300657 /nfs/dbraw/zinc/30/06/57/595300657.db2.gz YHWCLYGMZFYCKH-UHFFFAOYSA-N 2 0 333.480 1.229 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CN(C3CC3)C(=O)O2)C1 ZINC000844301780 595319946 /nfs/dbraw/zinc/31/99/46/595319946.db2.gz YQXWITLYAGFVBK-CVEARBPZSA-N 2 0 325.453 1.402 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cn3cc(-c4ccncn4)cn3)C2)CC1 ZINC000848482292 595391440 /nfs/dbraw/zinc/39/14/40/595391440.db2.gz LBZPSTSJOMQPJI-INIZCTEOSA-N 2 0 326.448 1.961 20 0 EDADRP Cc1ccc(CNC(=[NH2+])NCCCC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000849059867 595476627 /nfs/dbraw/zinc/47/66/27/595476627.db2.gz SYDQBEAQWZTQJX-UHFFFAOYSA-N 2 0 345.491 1.586 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=[NH2+])NCCc2cccs2)CC1 ZINC000849071954 595477835 /nfs/dbraw/zinc/47/78/35/595477835.db2.gz UTXJYMZOBWDSSU-HNNXBMFYSA-N 2 0 337.537 1.678 20 0 EDADRP COc1ccc(OC)c(NC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000849073919 595478432 /nfs/dbraw/zinc/47/84/32/595478432.db2.gz NAPSRHDHQXUOKR-TZMCWYRMSA-N 2 0 334.420 1.503 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2 ZINC000849081843 595479341 /nfs/dbraw/zinc/47/93/41/595479341.db2.gz FDLRZESLKLENRN-HNNXBMFYSA-N 2 0 329.448 1.071 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849110383 595483347 /nfs/dbraw/zinc/48/33/47/595483347.db2.gz HMLCBFZEMWALSO-OAHLLOKOSA-N 2 0 345.495 1.243 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CCC[NH+](C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849485874 595548018 /nfs/dbraw/zinc/54/80/18/595548018.db2.gz YTIVCGHJJUJGSU-ROUUACIJSA-N 2 0 347.507 1.398 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@@H]1C ZINC000849571799 595574691 /nfs/dbraw/zinc/57/46/91/595574691.db2.gz LDINDPLWLBLCDX-ONIAQPFYSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865909 595585876 /nfs/dbraw/zinc/58/58/76/595585876.db2.gz CADFYKHMKITKGN-CZUORRHYSA-N 2 0 330.432 1.432 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849599425 595587401 /nfs/dbraw/zinc/58/74/01/595587401.db2.gz NJWDNAFMTSDIES-SQNIBIBYSA-N 2 0 347.507 1.398 20 0 EDADRP C[NH+](C)CCCNC(=S)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000853051915 595650140 /nfs/dbraw/zinc/65/01/40/595650140.db2.gz UTEWSWQLYSBYQS-HNNXBMFYSA-N 2 0 342.553 1.388 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853105924 595666438 /nfs/dbraw/zinc/66/64/38/595666438.db2.gz NRVRIAVCGWLMED-QGZVFWFLSA-N 2 0 330.432 1.630 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC[C@@H](C3CCCCC3)C1)C2=O ZINC000853554258 595798710 /nfs/dbraw/zinc/79/87/10/595798710.db2.gz KMWIXYVEVBTYIK-MRXNPFEDSA-N 2 0 348.491 1.862 20 0 EDADRP COc1cccc([C@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000861548327 596025734 /nfs/dbraw/zinc/02/57/34/596025734.db2.gz PDVLXXUFCYUIOG-YOEHRIQHSA-N 2 0 334.464 1.821 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000861570612 596032181 /nfs/dbraw/zinc/03/21/81/596032181.db2.gz XONRJYFTVPIBIP-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000852124355 596051944 /nfs/dbraw/zinc/05/19/44/596051944.db2.gz SNVCCFAYTFAKEE-UHFFFAOYSA-N 2 0 340.508 1.992 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000852185686 596075705 /nfs/dbraw/zinc/07/57/05/596075705.db2.gz ROSSPAVRKQGGDV-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000857115269 596161103 /nfs/dbraw/zinc/16/11/03/596161103.db2.gz LEUWSASQRHWOLU-LBPRGKRZSA-N 2 0 328.407 1.775 20 0 EDADRP CO[C@@H]1C[C@@H]2CN(C(=O)Cn3cncc3C)Cc3cccnc3N2C1 ZINC000870535263 596274027 /nfs/dbraw/zinc/27/40/27/596274027.db2.gz KPHCHYUQYGMTER-HZPDHXFCSA-N 2 0 341.415 1.223 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000866666387 596285310 /nfs/dbraw/zinc/28/53/10/596285310.db2.gz OYXJJCIEHWCLCL-QZTJIDSGSA-N 2 0 331.460 1.546 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)CC[C@@H]21 ZINC000868791473 596307057 /nfs/dbraw/zinc/30/70/57/596307057.db2.gz QHWFEJSAOCIUQM-QRVBRYPASA-N 2 0 342.487 1.997 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870936026 596412161 /nfs/dbraw/zinc/41/21/61/596412161.db2.gz XRWCEJOCHYOJDN-ZDUSSCGKSA-N 2 0 328.254 1.953 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090034 596470618 /nfs/dbraw/zinc/47/06/18/596470618.db2.gz VSUGOBKOSQRAML-WMZOPIPTSA-N 2 0 349.523 1.702 20 0 EDADRP C[C@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[N@H+](C)C1CC1 ZINC000865143356 596489672 /nfs/dbraw/zinc/48/96/72/596489672.db2.gz VYMMMONVEKBRTL-OCCSQVGLSA-N 2 0 342.484 1.040 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=S)NCCC[NH+](C)C ZINC000865243363 596521812 /nfs/dbraw/zinc/52/18/12/596521812.db2.gz QMYXUTSZHCADDV-UHFFFAOYSA-N 2 0 330.542 1.103 20 0 EDADRP CC(=O)NCC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000865469500 596584336 /nfs/dbraw/zinc/58/43/36/596584336.db2.gz WYWYVZQZSBDNBE-ADKAHSJRSA-N 2 0 337.508 1.772 20 0 EDADRP CN(C)c1ccc(N2CCC([NH2+]CC3([NH3+])CCOCC3)CC2)cc1 ZINC000863481615 596594159 /nfs/dbraw/zinc/59/41/59/596594159.db2.gz KKCJGTQPKKPTOS-UHFFFAOYSA-N 2 0 332.492 1.819 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549295 596614808 /nfs/dbraw/zinc/61/48/08/596614808.db2.gz HMIBJFPDKBECPO-MSOLQXFVSA-N 2 0 344.459 1.510 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863556480 596617555 /nfs/dbraw/zinc/61/75/55/596617555.db2.gz DSWXIVJUUZZAIJ-LJQANCHMSA-N 2 0 332.492 1.697 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000869780489 596632510 /nfs/dbraw/zinc/63/25/10/596632510.db2.gz VZIGLOCARVLOEQ-CVEARBPZSA-N 2 0 337.508 1.602 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccn(C2CC2)c1=O ZINC000865783061 596681715 /nfs/dbraw/zinc/68/17/15/596681715.db2.gz FWQRKMLSZKKZPN-UHFFFAOYSA-N 2 0 348.491 1.529 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3C[C@@H]([NH3+])C3)c(C)c2)CC1 ZINC000868095979 596683971 /nfs/dbraw/zinc/68/39/71/596683971.db2.gz YGMZSWZTLFJWTE-IYBDPMFKSA-N 2 0 345.491 1.996 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)n2)CC1 ZINC000868156107 596704727 /nfs/dbraw/zinc/70/47/27/596704727.db2.gz VRQHSBCISSKAFX-LSDHHAIUSA-N 2 0 332.452 1.508 20 0 EDADRP CO[C@H]1CCC[C@H](CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018491 596710262 /nfs/dbraw/zinc/71/02/62/596710262.db2.gz BHHXZYORJHJJON-MLHJIOFPSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCCCCC(=O)C2)C[C@H]1C[NH+](C)C ZINC000870018624 596710839 /nfs/dbraw/zinc/71/08/39/596710839.db2.gz UKPRVUBNXCNZID-GVDBMIGSSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncsc1/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019560 596711534 /nfs/dbraw/zinc/71/15/34/596711534.db2.gz IQCBWLPXNLCJOO-WLBISTCBSA-N 2 0 336.505 1.663 20 0 EDADRP CCc1ccc(O)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870021412 596711985 /nfs/dbraw/zinc/71/19/85/596711985.db2.gz FJIQIILJONSJIU-HZPDHXFCSA-N 2 0 333.476 1.766 20 0 EDADRP Cc1cc(C)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(=O)[nH]1 ZINC000870021363 596711996 /nfs/dbraw/zinc/71/19/96/596711996.db2.gz PAOLCZRXKJBJQL-HUUCEWRRSA-N 2 0 334.464 1.215 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2c[nH]c3ncccc23)C[C@H]1C[NH+](C)C ZINC000870021018 596712127 /nfs/dbraw/zinc/71/21/27/596712127.db2.gz YJONUUURKSMCRF-HZPDHXFCSA-N 2 0 343.475 1.303 20 0 EDADRP COc1cccc([C@@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870022900 596713075 /nfs/dbraw/zinc/71/30/75/596713075.db2.gz DBRAQDAJZWDTRD-KBAYOESNSA-N 2 0 347.503 1.997 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868181208 596713785 /nfs/dbraw/zinc/71/37/85/596713785.db2.gz FOJYTEWXWVHDDD-FHLIZLRMSA-N 2 0 345.491 1.649 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000868185967 596715496 /nfs/dbraw/zinc/71/54/96/596715496.db2.gz DSNCFENYAFVQSC-WCXIOVBPSA-N 2 0 330.432 1.486 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+]1CCCCC1 ZINC000868228089 596735564 /nfs/dbraw/zinc/73/55/64/596735564.db2.gz BFANNASFDSXKOY-XOKHGSTOSA-N 2 0 344.459 1.430 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868238922 596740849 /nfs/dbraw/zinc/74/08/49/596740849.db2.gz FURRIDBOVAXNHF-DLBZAZTESA-N 2 0 346.475 1.630 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868238617 596740899 /nfs/dbraw/zinc/74/08/99/596740899.db2.gz FASUKXFOTPXXAR-JKSUJKDBSA-N 2 0 332.448 1.240 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868243610 596743049 /nfs/dbraw/zinc/74/30/49/596743049.db2.gz LXYFCSLRWARLOB-YESZJQIVSA-N 2 0 344.459 1.381 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000864057471 596747483 /nfs/dbraw/zinc/74/74/83/596747483.db2.gz OSYKAECDPHSELH-UHFFFAOYSA-N 2 0 336.480 1.249 20 0 EDADRP Cc1ccc(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000866041573 596769960 /nfs/dbraw/zinc/76/99/60/596769960.db2.gz VROOSCIIFJSONV-IAGOWNOFSA-N 2 0 331.460 1.376 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000868303869 596778512 /nfs/dbraw/zinc/77/85/12/596778512.db2.gz RHPUWBMCSZSAEG-GASCZTMLSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@H]2CC3(CCC3)CO2)C1)[C@H]1CCC[NH2+]1 ZINC000872144130 596809373 /nfs/dbraw/zinc/80/93/73/596809373.db2.gz VJTHUAVBARTEMG-GVDBMIGSSA-N 2 0 335.492 1.526 20 0 EDADRP C[C@@H](C(=O)NC(=O)NCC(F)(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000872154988 596816204 /nfs/dbraw/zinc/81/62/04/596816204.db2.gz ILIVYDPPDHPOIC-JTQLQIEISA-N 2 0 326.363 1.214 20 0 EDADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000866411737 596879832 /nfs/dbraw/zinc/87/98/32/596879832.db2.gz VCPLMDWHXXKISY-ZBFHGGJFSA-N 2 0 349.475 1.847 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2cnc(-c3ccccc3)n2)C[C@H]1C[NH+](C)C ZINC000872636196 597002027 /nfs/dbraw/zinc/00/20/27/597002027.db2.gz DQBILFCJTYBOJX-QZTJIDSGSA-N 2 0 342.491 1.574 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2c3ccccc3oc2=O)C[C@H]1C[NH+](C)C ZINC000872637185 597003063 /nfs/dbraw/zinc/00/30/63/597003063.db2.gz BJYFRMUNAMLRQQ-HUUCEWRRSA-N 2 0 332.448 1.223 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000875872988 597019787 /nfs/dbraw/zinc/01/97/87/597019787.db2.gz LGBXZMAWCPKNOT-HOCLYGCPSA-N 2 0 338.496 1.148 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccnc(F)c2)C[C@H]1C[NH+](C)C ZINC000876038485 597069518 /nfs/dbraw/zinc/06/95/18/597069518.db2.gz LUIBLNYJXSFGBG-HUUCEWRRSA-N 2 0 337.443 1.102 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000874432183 597076002 /nfs/dbraw/zinc/07/60/02/597076002.db2.gz HWEXVTXVOLASHQ-RLFYNMQTSA-N 2 0 332.448 1.667 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876521058 597229216 /nfs/dbraw/zinc/22/92/16/597229216.db2.gz RLDQMSZVCMBODF-OWCLPIDISA-N 2 0 345.443 1.907 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1 ZINC000876526614 597230849 /nfs/dbraw/zinc/23/08/49/597230849.db2.gz YJEMCOUXASOBFX-CQSZACIVSA-N 2 0 344.381 1.069 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)c1ccccc1 ZINC000874988880 597232886 /nfs/dbraw/zinc/23/28/86/597232886.db2.gz GXSUJMWVEZFOPB-DLBZAZTESA-N 2 0 348.491 1.434 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873247059 597238929 /nfs/dbraw/zinc/23/89/29/597238929.db2.gz HMVDJXXQYRCABO-ACJLOTCBSA-N 2 0 326.448 1.298 20 0 EDADRP Cc1ccc(CN2CCO[C@H](C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])C2)cc1 ZINC000873265092 597242755 /nfs/dbraw/zinc/24/27/55/597242755.db2.gz GPZHSQCQPFAWEB-OJAHFUOMSA-N 2 0 347.503 1.538 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC[C@H]2CCOC2=O)CC[NH2+]CC1 ZINC000873281810 597247609 /nfs/dbraw/zinc/24/76/09/597247609.db2.gz BWMIHLBZWFPQMD-KGLIPLIRSA-N 2 0 326.437 1.241 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000875142834 597300723 /nfs/dbraw/zinc/30/07/23/597300723.db2.gz FQXUIWLHMMEGAY-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000876724237 597306360 /nfs/dbraw/zinc/30/63/60/597306360.db2.gz QVGLYACKNQOJNP-HOTGVXAUSA-N 2 0 333.480 1.720 20 0 EDADRP COC[C@]1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C[NH2+]CCO1 ZINC000876737781 597315181 /nfs/dbraw/zinc/31/51/81/597315181.db2.gz UTLQRLKTLZANCN-IBGZPJMESA-N 2 0 349.475 1.148 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876746326 597318993 /nfs/dbraw/zinc/31/89/93/597318993.db2.gz QZVBZASAYGMMDH-SJLPKXTDSA-N 2 0 349.450 1.777 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000876770035 597332411 /nfs/dbraw/zinc/33/24/11/597332411.db2.gz GWRAXSJHEQYNNA-SFHVURJKSA-N 2 0 347.507 1.292 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781367 597339059 /nfs/dbraw/zinc/33/90/59/597339059.db2.gz GTTTYZWIASCAHA-XVWMLYKFSA-N 2 0 329.448 1.328 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000876865728 597362342 /nfs/dbraw/zinc/36/23/42/597362342.db2.gz GINJKWZDNOLIIL-GHMZBOCLSA-N 2 0 337.292 1.819 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000876897734 597376033 /nfs/dbraw/zinc/37/60/33/597376033.db2.gz VNKSWYWOJWLVKP-SFHVURJKSA-N 2 0 344.503 1.390 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000876899943 597377274 /nfs/dbraw/zinc/37/72/74/597377274.db2.gz BKBLDYQGADBNMV-ZACQAIPSSA-N 2 0 345.491 1.672 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000876917072 597384519 /nfs/dbraw/zinc/38/45/19/597384519.db2.gz ADSRDRSTOGLUEK-FZMZJTMJSA-N 2 0 336.505 1.975 20 0 EDADRP O=C(/C=C/[C@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000876962337 597399048 /nfs/dbraw/zinc/39/90/48/597399048.db2.gz PNOCVAHBQRBTMC-REMYHPOOSA-N 2 0 342.487 1.966 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371544 597404337 /nfs/dbraw/zinc/40/43/37/597404337.db2.gz QPLHIQCZSCEWAF-WBVHZDCISA-N 2 0 334.508 1.987 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(N3CCOC3=O)cc2)CC1 ZINC000877196072 597458669 /nfs/dbraw/zinc/45/86/69/597458669.db2.gz SQKVNNVQGKXMMT-UHFFFAOYSA-N 2 0 347.459 1.968 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3[nH]nc4c3C[NH2+]CC4)C2)cc1 ZINC000877222380 597465982 /nfs/dbraw/zinc/46/59/82/597465982.db2.gz ZSFBGYJGLXZBMJ-HNNXBMFYSA-N 2 0 339.443 1.368 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)/C=C/[C@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877239550 597475066 /nfs/dbraw/zinc/47/50/66/597475066.db2.gz QIFOIVMSLVDMGD-RZDFBNQSSA-N 2 0 329.444 1.504 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)COC1CC[NH2+]CC1 ZINC000877266905 597483675 /nfs/dbraw/zinc/48/36/75/597483675.db2.gz MGQNPDIBIQQWLE-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)c1 ZINC000877355711 597499732 /nfs/dbraw/zinc/49/97/32/597499732.db2.gz PCYOWZUDRDHJSG-WXHSDQCUSA-N 2 0 331.338 1.291 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C[C@@H]1C(F)(F)F ZINC000877370483 597503583 /nfs/dbraw/zinc/50/35/83/597503583.db2.gz BSNPVZXMGWMSOA-ADEWGFFLSA-N 2 0 335.757 1.935 20 0 EDADRP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877402806 597510708 /nfs/dbraw/zinc/51/07/08/597510708.db2.gz IRXZYGVDPUHKJB-XJKSGUPXSA-N 2 0 331.464 1.529 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3cc4c(cc[nH]c4=O)o3)CC2)CC1 ZINC000877524905 597530762 /nfs/dbraw/zinc/53/07/62/597530762.db2.gz KGGQZOGGXXZZKC-UHFFFAOYSA-N 2 0 344.459 1.993 20 0 EDADRP CO[C@@H](Cc1ccccc1)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877745996 597552711 /nfs/dbraw/zinc/55/27/11/597552711.db2.gz FGYMJKIMFJIOID-FQEVSTJZSA-N 2 0 331.504 1.956 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)C[C@H](O)c1ccccc1 ZINC000878317638 597594891 /nfs/dbraw/zinc/59/48/91/597594891.db2.gz SHVOXKMVTXREJN-MOPGFXCFSA-N 2 0 335.492 1.040 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000878317639 597594973 /nfs/dbraw/zinc/59/49/73/597594973.db2.gz SHVOXKMVTXREJN-OALUTQOASA-N 2 0 335.492 1.040 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C[C@@H]2CCC3(CCOCC3)O2)CC1 ZINC000878543411 597629032 /nfs/dbraw/zinc/62/90/32/597629032.db2.gz AVGZUQXTVSWMKG-INIZCTEOSA-N 2 0 347.459 1.940 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@]2(CO)CCCc3ccccc32)CC1 ZINC000878554388 597633756 /nfs/dbraw/zinc/63/37/56/597633756.db2.gz AUEGJPLKCJGQRI-LJQANCHMSA-N 2 0 331.460 1.011 20 0 EDADRP CN1CC[C@@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000878570314 597638828 /nfs/dbraw/zinc/63/88/28/597638828.db2.gz WQISQKJSRPAISB-IEBWSBKVSA-N 2 0 330.476 1.232 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C[C@@H](O)c3ccccc3)CC2)CC1 ZINC000879594580 597649871 /nfs/dbraw/zinc/64/98/71/597649871.db2.gz MXTLBWZWHMCQBU-VQTJNVASSA-N 2 0 347.503 1.183 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000879594688 597650008 /nfs/dbraw/zinc/65/00/08/597650008.db2.gz QQGXOOIWGJMRPE-LJQANCHMSA-N 2 0 335.467 1.441 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883114604 597654838 /nfs/dbraw/zinc/65/48/38/597654838.db2.gz APIKZMYMUVHMAS-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)CC(=O)NC1CC[NH+](C)CC1 ZINC000878623143 597658429 /nfs/dbraw/zinc/65/84/29/597658429.db2.gz GCUVDJXRUZZKOV-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCN1c1cc[nH+]cc1 ZINC000883149373 597667970 /nfs/dbraw/zinc/66/79/70/597667970.db2.gz YHWQHIWBUYPOCB-NXHRZFHOSA-N 2 0 343.475 1.929 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000878651293 597668245 /nfs/dbraw/zinc/66/82/45/597668245.db2.gz ZCKLVSMZQPDUMK-LJQANCHMSA-N 2 0 345.487 1.690 20 0 EDADRP COC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)[C@@H]1CCCOC1 ZINC000883170342 597676065 /nfs/dbraw/zinc/67/60/65/597676065.db2.gz RGMHOMLSZUBARN-FGTMMUONSA-N 2 0 327.513 1.290 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883401753 597732068 /nfs/dbraw/zinc/73/20/68/597732068.db2.gz XGVHJILEGFNOOY-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(C)C ZINC000883415007 597738575 /nfs/dbraw/zinc/73/85/75/597738575.db2.gz LLCZNCCUSCDYKO-INIZCTEOSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC000883416737 597738972 /nfs/dbraw/zinc/73/89/72/597738972.db2.gz CRXGAGAEBGPJDZ-FGTMMUONSA-N 2 0 331.460 1.694 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)o1 ZINC000883437695 597746447 /nfs/dbraw/zinc/74/64/47/597746447.db2.gz YKSNRSIZGSWNGS-KGLIPLIRSA-N 2 0 334.420 1.302 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000883439547 597747500 /nfs/dbraw/zinc/74/75/00/597747500.db2.gz UPXYTYPOOBBJGG-LVQVYYBASA-N 2 0 335.448 1.345 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883441956 597748668 /nfs/dbraw/zinc/74/86/68/597748668.db2.gz BDJMZUTYUJGIDJ-SJORKVTESA-N 2 0 346.475 1.567 20 0 EDADRP CCc1nn(C)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879102720 597822121 /nfs/dbraw/zinc/82/21/21/597822121.db2.gz WSQVJAVMUHJHKD-ZIAGYGMSSA-N 2 0 336.484 1.186 20 0 EDADRP COCC[N@H+](C[C@@H](O)COc1ccccc1)CC1CC[NH+](C)CC1 ZINC000879121595 597825687 /nfs/dbraw/zinc/82/56/87/597825687.db2.gz CZLTUDZCVIXHJL-GOSISDBHSA-N 2 0 336.476 1.717 20 0 EDADRP COCC[N@H+](C[C@H](O)CC1(O)CCCC1)CC1CC[NH+](C)CC1 ZINC000879125527 597827139 /nfs/dbraw/zinc/82/71/39/597827139.db2.gz DGNGZNIVFJDDNV-QGZVFWFLSA-N 2 0 328.497 1.333 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@H](O)c2ccccc2)CC1 ZINC000879239841 597862129 /nfs/dbraw/zinc/86/21/29/597862129.db2.gz HTMYBGKFSXPXOO-AZUAARDMSA-N 2 0 345.487 1.785 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([NH+]3CCC4(CC[NH+](C)CC4)CC3)C2=O)n1 ZINC000879248184 597864159 /nfs/dbraw/zinc/86/41/59/597864159.db2.gz OIVZOMQWLONNEB-MRXNPFEDSA-N 2 0 345.491 1.723 20 0 EDADRP Cc1cccc(C(=O)NC2CCN(C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000879350553 597895646 /nfs/dbraw/zinc/89/56/46/597895646.db2.gz KPMGXMLUGXGNKJ-LJQANCHMSA-N 2 0 347.503 1.890 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000883901177 597937450 /nfs/dbraw/zinc/93/74/50/597937450.db2.gz YYHBGEVYPKDERH-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP O=C(C[NH2+][C@H](Cn1ccnc1)c1ccccc1)NCC(F)(F)F ZINC000880568537 597966477 /nfs/dbraw/zinc/96/64/77/597966477.db2.gz BQJVVXKCEKIILL-CYBMUJFWSA-N 2 0 326.322 1.893 20 0 EDADRP Cc1cc(NC(=O)C[NH2+][C@H](Cn2ccnc2)c2ccccc2)n(C)n1 ZINC000880568695 597966756 /nfs/dbraw/zinc/96/67/56/597966756.db2.gz CXZPEKRLRNEGCZ-MRXNPFEDSA-N 2 0 338.415 1.895 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2C[NH2+]CC2(C)C)ccc1OCC[NH+](C)C ZINC000884195615 598023172 /nfs/dbraw/zinc/02/31/72/598023172.db2.gz SXLKTMRJVMQPQO-HNNXBMFYSA-N 2 0 349.475 1.497 20 0 EDADRP CN(C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884213306 598031879 /nfs/dbraw/zinc/03/18/79/598031879.db2.gz YIWBZMQIFLOMJH-NVXWUHKLSA-N 2 0 326.444 1.733 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(Br)cc1 ZINC000884250525 598043373 /nfs/dbraw/zinc/04/33/73/598043373.db2.gz GWFCIOHCCUHCFH-DZGCQCFKSA-N 2 0 338.249 1.661 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC[N@H+](CCOC)CC1 ZINC000884306356 598060985 /nfs/dbraw/zinc/06/09/85/598060985.db2.gz BYSTWWZPCOUOBF-UHFFFAOYSA-N 2 0 335.448 1.079 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000884309051 598061207 /nfs/dbraw/zinc/06/12/07/598061207.db2.gz KQHVVSPVQCNERR-GOSISDBHSA-N 2 0 349.475 1.468 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884400955 598094080 /nfs/dbraw/zinc/09/40/80/598094080.db2.gz ACRCDHLIFKPSKG-ROUUACIJSA-N 2 0 347.503 1.879 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000884436152 598104607 /nfs/dbraw/zinc/10/46/07/598104607.db2.gz WRVHKOXDRVYYGK-HNNXBMFYSA-N 2 0 325.497 1.709 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000914076090 695071553 /nfs/dbraw/zinc/07/15/53/695071553.db2.gz PPDHGIOQXXGSFN-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)n1 ZINC000992908040 695444754 /nfs/dbraw/zinc/44/47/54/695444754.db2.gz PKNAPHYHPYZORN-BPQIPLTHSA-N 2 0 345.491 1.233 20 0 EDADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CCN1c1cc[nH+]cc1 ZINC000915257094 695772492 /nfs/dbraw/zinc/77/24/92/695772492.db2.gz DZEDDNWJSIXPTI-INIZCTEOSA-N 2 0 346.475 1.477 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@@H+]1CCCO ZINC000993619187 696262263 /nfs/dbraw/zinc/26/22/63/696262263.db2.gz FSOPYIJTXXLTBI-APWZRJJASA-N 2 0 347.503 1.756 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](CCOc3ccc(F)cc3)C2)C1 ZINC001015705423 696593606 /nfs/dbraw/zinc/59/36/06/696593606.db2.gz LDPFCIMZHPNTNC-RDJZCZTQSA-N 2 0 349.450 1.737 20 0 EDADRP COc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008301 700109866 /nfs/dbraw/zinc/10/98/66/700109866.db2.gz IARBUFNBHLIMIN-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000940008627 700110308 /nfs/dbraw/zinc/11/03/08/700110308.db2.gz WELNMPQPZAIASE-KRWDZBQOSA-N 2 0 346.475 1.655 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC(C)(C)/C=C/Cl)C2)CC1 ZINC000918906692 697222500 /nfs/dbraw/zinc/22/25/00/697222500.db2.gz QNTVZMSWVDOMOU-SBDDDAINSA-N 2 0 328.888 1.985 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001031584372 697279753 /nfs/dbraw/zinc/27/97/53/697279753.db2.gz CFKBNTJSRVMDOM-DLBZAZTESA-N 2 0 335.423 1.001 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=S)NC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000920308356 697419252 /nfs/dbraw/zinc/41/92/52/697419252.db2.gz DZFHJYRUPKBXDG-OKILXGFUSA-N 2 0 328.526 1.044 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000920505529 697440530 /nfs/dbraw/zinc/44/05/30/697440530.db2.gz AUWOXDPJKSXOBR-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccc(CO)cc2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675970 697488504 /nfs/dbraw/zinc/48/85/04/697488504.db2.gz XXSOVTHAQUOWPZ-IBGZPJMESA-N 2 0 343.471 1.069 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001031686398 697516766 /nfs/dbraw/zinc/51/67/66/697516766.db2.gz MMUSVEUVQZICPN-YESZJQIVSA-N 2 0 337.508 1.580 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426736 697603363 /nfs/dbraw/zinc/60/33/63/697603363.db2.gz JSFJOTCLSCHAPJ-HZPDHXFCSA-N 2 0 328.501 1.230 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1)OC ZINC001031730674 698086787 /nfs/dbraw/zinc/08/67/87/698086787.db2.gz VATXOZAXYOXVSU-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[NH2+]C1 ZINC000237630673 698251223 /nfs/dbraw/zinc/25/12/23/698251223.db2.gz XLSMPQCUOBDWKE-MAUKXSAKSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)CC[N@@H+]1C ZINC000940119733 700253357 /nfs/dbraw/zinc/25/33/57/700253357.db2.gz IEKSJMXFBYXOPR-NVXWUHKLSA-N 2 0 330.476 1.893 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502067 701561531 /nfs/dbraw/zinc/56/15/31/701561531.db2.gz IYKNMCLJAIBENE-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939063368 699109233 /nfs/dbraw/zinc/10/92/33/699109233.db2.gz DZFPQRPCZLMCGG-YOEHRIQHSA-N 2 0 333.480 1.181 20 0 EDADRP CC(C)(C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1)[NH+]1CCCC1 ZINC000941512648 701565949 /nfs/dbraw/zinc/56/59/49/701565949.db2.gz RPXUOTWOCMBDOV-UHFFFAOYSA-N 2 0 334.508 1.099 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939256717 699433411 /nfs/dbraw/zinc/43/34/11/699433411.db2.gz DUEJDTCCFHKLET-MAUKXSAKSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939388785 699540979 /nfs/dbraw/zinc/54/09/79/699540979.db2.gz OPGIRHBFNBTEFZ-KBXCAEBGSA-N 2 0 348.491 1.960 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000939452578 699584264 /nfs/dbraw/zinc/58/42/64/699584264.db2.gz AALSFPZIOSEUIC-QAPCUYQASA-N 2 0 347.507 1.477 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3cncn3C)[C@@H](C)C2)CC1 ZINC000939454373 699600866 /nfs/dbraw/zinc/60/08/66/699600866.db2.gz RJAXGFIXRDFHRA-YJBOKZPZSA-N 2 0 347.507 1.477 20 0 EDADRP C[C@@H]1CN(C(=O)Cc2cncn2C)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939533505 699671139 /nfs/dbraw/zinc/67/11/39/699671139.db2.gz AHQKMUKRVOQGMP-PXAZEXFGSA-N 2 0 348.397 1.878 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939544793 699686708 /nfs/dbraw/zinc/68/67/08/699686708.db2.gz MWCKMQFVHLIMCS-DYVFJYSZSA-N 2 0 349.425 1.997 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cn2ccnc2C)C[C@H]1C ZINC000939748547 699895583 /nfs/dbraw/zinc/89/55/83/699895583.db2.gz QJTKPVVZEZHCEZ-HIFRSBDPSA-N 2 0 330.436 1.045 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000940148903 700281373 /nfs/dbraw/zinc/28/13/73/700281373.db2.gz FSWMUIMJOKCMPF-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940148916 700281396 /nfs/dbraw/zinc/28/13/96/700281396.db2.gz GCOFKLYNQBKOIM-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)co1 ZINC000940149526 700282572 /nfs/dbraw/zinc/28/25/72/700282572.db2.gz LPTHLRKSIFUVPY-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nnc(C)s2)CC1)[NH+](C)C ZINC000940176828 700309769 /nfs/dbraw/zinc/30/97/69/700309769.db2.gz QLVHDJLTRJROCL-CYBMUJFWSA-N 2 0 339.509 1.657 20 0 EDADRP Cc1csc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995167288 701634642 /nfs/dbraw/zinc/63/46/42/701634642.db2.gz IUOFDAFVBUPKQB-CABCVRRESA-N 2 0 348.516 1.922 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000940329742 700509661 /nfs/dbraw/zinc/50/96/61/700509661.db2.gz YGVAFIXJBDPMHW-OAHLLOKOSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)cs1 ZINC000940353421 700537205 /nfs/dbraw/zinc/53/72/05/700537205.db2.gz OBAXLCAKOZJHEN-UHFFFAOYSA-N 2 0 333.461 1.888 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940472217 700657441 /nfs/dbraw/zinc/65/74/41/700657441.db2.gz NOSJVQQZOPLDLK-HOTGVXAUSA-N 2 0 347.507 1.764 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000940461831 700665205 /nfs/dbraw/zinc/66/52/05/700665205.db2.gz NCKSFYPRRANKGW-OAHLLOKOSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC000995078228 700667297 /nfs/dbraw/zinc/66/72/97/700667297.db2.gz JMIIMWVQQJUMGV-DOTOQJQBSA-N 2 0 345.491 1.501 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081420 700711355 /nfs/dbraw/zinc/71/13/55/700711355.db2.gz UZRWMIKRAWYBAS-ZBFHGGJFSA-N 2 0 333.480 1.136 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082459 700725073 /nfs/dbraw/zinc/72/50/73/700725073.db2.gz YTBDOAXVIPKWNG-GOEBONIOSA-N 2 0 333.480 1.136 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2cccnc2)CC1(C)C ZINC000940621758 700783304 /nfs/dbraw/zinc/78/33/04/700783304.db2.gz VIDMSVYLZKMPGJ-SJORKVTESA-N 2 0 330.476 1.893 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940800917 700906389 /nfs/dbraw/zinc/90/63/89/700906389.db2.gz KCTVYZSWDLIMTQ-DLBZAZTESA-N 2 0 339.524 1.848 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852800 700952790 /nfs/dbraw/zinc/95/27/90/700952790.db2.gz FJNGIJFURHMWMI-DYVFJYSZSA-N 2 0 344.459 1.854 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2csnn2)C1)C12CC[NH+](CC1)C2 ZINC000995170157 701676264 /nfs/dbraw/zinc/67/62/64/701676264.db2.gz WGCOUXUXQLFCRN-STQMWFEESA-N 2 0 335.477 1.008 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000941032993 701075106 /nfs/dbraw/zinc/07/51/06/701075106.db2.gz KWQSTMFHCOBTAH-SJORKVTESA-N 2 0 347.507 1.584 20 0 EDADRP Cn1cncc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995118178 701085983 /nfs/dbraw/zinc/08/59/83/701085983.db2.gz FMZMCHSTROPAIA-SJORKVTESA-N 2 0 347.507 1.527 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCCC3CCC3)C2)C1 ZINC001031922962 701093962 /nfs/dbraw/zinc/09/39/62/701093962.db2.gz QFZUSZMONMWNST-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217275 701403374 /nfs/dbraw/zinc/40/33/74/701403374.db2.gz LNVBQYZSIOMSBW-WMLDXEAASA-N 2 0 348.491 1.905 20 0 EDADRP C[C@@H](c1cnccn1)[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941220480 701410653 /nfs/dbraw/zinc/41/06/53/701410653.db2.gz DYUQSMWFYXNATO-RDJZCZTQSA-N 2 0 345.491 1.850 20 0 EDADRP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221231 701411718 /nfs/dbraw/zinc/41/17/18/701411718.db2.gz NWRBTQHSZLYAQG-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238670 701429051 /nfs/dbraw/zinc/42/90/51/701429051.db2.gz ZMRWNJGENRSEPS-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001031948149 701523007 /nfs/dbraw/zinc/52/30/07/701523007.db2.gz TVQIIDRCKJHTRB-UHFFFAOYSA-N 2 0 345.487 1.723 20 0 EDADRP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)ccc1C ZINC001031976263 701952082 /nfs/dbraw/zinc/95/20/82/701952082.db2.gz IAUFTIOMKOPZOX-MAUKXSAKSA-N 2 0 345.487 1.749 20 0 EDADRP Cc1ncsc1CC[NH+]1CC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001031976974 702006332 /nfs/dbraw/zinc/00/63/32/702006332.db2.gz UQXCYGQDRZLMNC-DOMZBBRYSA-N 2 0 336.505 1.240 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031978297 702077949 /nfs/dbraw/zinc/07/79/49/702077949.db2.gz RSGYYSUGCQJULZ-BEFAXECRSA-N 2 0 344.503 1.498 20 0 EDADRP Cc1ccnc(CN[C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823389 702092807 /nfs/dbraw/zinc/09/28/07/702092807.db2.gz FZYWQCGXVRQCJB-OAGGEKHMSA-N 2 0 345.491 1.452 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001032205857 702108009 /nfs/dbraw/zinc/10/80/09/702108009.db2.gz KOCQSOMRJFDNGT-ZWKOTPCHSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3cncs3)C(C)(C)C2)CC[N@@H+]1C ZINC000995836131 702114085 /nfs/dbraw/zinc/11/40/85/702114085.db2.gz ZRRIVQWSKUPUNA-BPLDGKMQSA-N 2 0 336.505 1.810 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032206688 702155965 /nfs/dbraw/zinc/15/59/65/702155965.db2.gz HROJSVGEXCZKRI-MRXNPFEDSA-N 2 0 345.487 1.836 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1)C1CC1 ZINC000995898367 702203441 /nfs/dbraw/zinc/20/34/41/702203441.db2.gz TWJBXZCTEMLXGO-HUUCEWRRSA-N 2 0 336.505 1.810 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]C[C@H]3CCCCO3)C(C)(C)C2)CCC1 ZINC000995888860 702228186 /nfs/dbraw/zinc/22/81/86/702228186.db2.gz SDYZZNPYIWLXCI-CVEARBPZSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3cncs3)C(C)(C)C2)CCC1 ZINC000995889517 702229932 /nfs/dbraw/zinc/22/99/32/702229932.db2.gz VMQLIKIZUXXSCB-AWEZNQCLSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995890081 702230795 /nfs/dbraw/zinc/23/07/95/702230795.db2.gz YURSDGBYVAINDJ-OAHLLOKOSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995916747 702278228 /nfs/dbraw/zinc/27/82/28/702278228.db2.gz JWCMJWDGSWLWHJ-KRWDZBQOSA-N 2 0 347.507 1.539 20 0 EDADRP C[C@H]1C[N@H+](CC2CC2)CC[C@@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942057919 702507813 /nfs/dbraw/zinc/50/78/13/702507813.db2.gz QUOQJBGNYSXURS-HOCLYGCPSA-N 2 0 333.480 1.295 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996299809 702690665 /nfs/dbraw/zinc/69/06/65/702690665.db2.gz DOJPSUCEEFVNHX-BBRMVZONSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300204 702691721 /nfs/dbraw/zinc/69/17/21/702691721.db2.gz KGZGRXMOWTXMJA-RHSMWYFYSA-N 2 0 347.507 1.539 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000996300667 702692748 /nfs/dbraw/zinc/69/27/48/702692748.db2.gz OFWKHJQSBSSSGT-GXTWGEPZSA-N 2 0 337.493 1.349 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)[C@H](C)C2)on1 ZINC000942256300 702747435 /nfs/dbraw/zinc/74/74/35/702747435.db2.gz DHVOEGOEBQVWOP-RHSMWYFYSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC000996463544 702791142 /nfs/dbraw/zinc/79/11/42/702791142.db2.gz HTWVYWWDCRJWRM-GOSISDBHSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)ncn1 ZINC000996465572 702792798 /nfs/dbraw/zinc/79/27/98/702792798.db2.gz WFBVHMBMKPNIAD-SFHVURJKSA-N 2 0 345.491 1.738 20 0 EDADRP Cn1cncc1CC(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996512078 702831510 /nfs/dbraw/zinc/83/15/10/702831510.db2.gz AFESBDYLYCEFIT-MRXNPFEDSA-N 2 0 345.422 1.524 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996516949 702852432 /nfs/dbraw/zinc/85/24/32/702852432.db2.gz COMVBYJYPKQXBK-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518227 702853870 /nfs/dbraw/zinc/85/38/70/702853870.db2.gz INVWPJGBFSYSRF-DOTOQJQBSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559806 702877866 /nfs/dbraw/zinc/87/78/66/702877866.db2.gz FNQSZPKMQZIMNE-GOSISDBHSA-N 2 0 346.475 1.714 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)cn1 ZINC000996608694 702912036 /nfs/dbraw/zinc/91/20/36/702912036.db2.gz DKOVAAJMFDMLSQ-QGZVFWFLSA-N 2 0 347.507 1.368 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610818 702915728 /nfs/dbraw/zinc/91/57/28/702915728.db2.gz KVLFOXMFVFBIJL-HIFRSBDPSA-N 2 0 336.505 1.730 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996611305 702916452 /nfs/dbraw/zinc/91/64/52/702916452.db2.gz LXUCPHLJJPGENK-GOSISDBHSA-N 2 0 345.487 1.601 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996612208 702917414 /nfs/dbraw/zinc/91/74/14/702917414.db2.gz QBTXSOHMUJEUKM-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)C1 ZINC000996617722 702924534 /nfs/dbraw/zinc/92/45/34/702924534.db2.gz VUOGFFUKQTYVCU-PBHICJAKSA-N 2 0 345.491 1.108 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000996644250 702946705 /nfs/dbraw/zinc/94/67/05/702946705.db2.gz IGBYKENVGYNLFW-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnoc2C)CC1 ZINC000996663451 702961327 /nfs/dbraw/zinc/96/13/27/702961327.db2.gz SDGQCNDNIHXFIU-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996663453 702961453 /nfs/dbraw/zinc/96/14/53/702961453.db2.gz GFFGTQUBMZFRDV-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CCO1 ZINC000996667022 702963897 /nfs/dbraw/zinc/96/38/97/702963897.db2.gz VTEYSVOBPSGVJU-JKSUJKDBSA-N 2 0 337.508 1.866 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996671123 702972192 /nfs/dbraw/zinc/97/21/92/702972192.db2.gz MFGYNYPSWIODAM-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1ncccn1 ZINC000996675134 702973986 /nfs/dbraw/zinc/97/39/86/702973986.db2.gz FFKCGGOJJBYHHI-XJKSGUPXSA-N 2 0 331.464 1.458 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)C1CC1 ZINC000996680095 702978837 /nfs/dbraw/zinc/97/88/37/702978837.db2.gz SOIAZXVHDZOOMR-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ccccc1OCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032315849 702980345 /nfs/dbraw/zinc/98/03/45/702980345.db2.gz YJZQCPOUDXQEAX-OKZBNKHCSA-N 2 0 343.471 1.753 20 0 EDADRP Cc1cncn1CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@@H]1C ZINC000942518342 703013074 /nfs/dbraw/zinc/01/30/74/703013074.db2.gz QNMHIDJDIGNDNR-GUYCJALGSA-N 2 0 344.463 1.260 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000996726684 703021617 /nfs/dbraw/zinc/02/16/17/703021617.db2.gz ZBJFGPYWTIZAPU-SFHVURJKSA-N 2 0 347.507 1.565 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000996729278 703026153 /nfs/dbraw/zinc/02/61/53/703026153.db2.gz MVNYYICXFHBWIN-MRXNPFEDSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@H]1C[N@H+](CCO)CC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942529213 703030167 /nfs/dbraw/zinc/03/01/67/703030167.db2.gz HCWDCOBYPQUONF-YJBOKZPZSA-N 2 0 333.476 1.223 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996799780 703085769 /nfs/dbraw/zinc/08/57/69/703085769.db2.gz XZJFZKADUKXBOX-UHFFFAOYSA-N 2 0 325.372 1.717 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996797706 703089824 /nfs/dbraw/zinc/08/98/24/703089824.db2.gz IZLDQCFSSLQAHO-UHFFFAOYSA-N 2 0 326.360 1.112 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598046 703112820 /nfs/dbraw/zinc/11/28/20/703112820.db2.gz QOXNLLPKVSTLBM-XJKSGUPXSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598148 703113334 /nfs/dbraw/zinc/11/33/34/703113334.db2.gz RZDAFPOZUUMQKM-XJKSGUPXSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)[nH]1 ZINC000996922195 703193158 /nfs/dbraw/zinc/19/31/58/703193158.db2.gz NUXQCGWNPRPJLD-GUTXKFCHSA-N 2 0 348.495 1.485 20 0 EDADRP Cc1ncc(CN2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042939 703210600 /nfs/dbraw/zinc/21/06/00/703210600.db2.gz PASUILZIMXGGKM-ROUUACIJSA-N 2 0 343.475 1.350 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)nn1 ZINC000996994837 703251494 /nfs/dbraw/zinc/25/14/94/703251494.db2.gz KJJMAWGITAORDT-HNNXBMFYSA-N 2 0 348.495 1.424 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1csnn1 ZINC000996999106 703255952 /nfs/dbraw/zinc/25/59/52/703255952.db2.gz MPDUAEXHMXGQKU-QWHCGFSZSA-N 2 0 337.493 1.664 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC000997004479 703261522 /nfs/dbraw/zinc/26/15/22/703261522.db2.gz DIMITHXGFRPULK-ZDUSSCGKSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000997009066 703269683 /nfs/dbraw/zinc/26/96/83/703269683.db2.gz XUHYURPWTAPEGG-GFCCVEGCSA-N 2 0 337.493 1.269 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997013446 703273288 /nfs/dbraw/zinc/27/32/88/703273288.db2.gz ZKFMZFPIRFPUQF-DOTOQJQBSA-N 2 0 330.476 1.668 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821160 703329249 /nfs/dbraw/zinc/32/92/49/703329249.db2.gz CKOXBUMJEKEUSS-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997085683 703331395 /nfs/dbraw/zinc/33/13/95/703331395.db2.gz SREJBWRNIBSLFH-GDBMZVCRSA-N 2 0 349.504 1.636 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997185021 703473710 /nfs/dbraw/zinc/47/37/10/703473710.db2.gz OSNKPJDITRMWEC-AWEZNQCLSA-N 2 0 346.475 1.974 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997185168 703474359 /nfs/dbraw/zinc/47/43/59/703474359.db2.gz QWSWDOMKMGQMEK-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2cncs2)CC1 ZINC000997186384 703475510 /nfs/dbraw/zinc/47/55/10/703475510.db2.gz LQNCXRIJPAGDSD-UHFFFAOYSA-N 2 0 345.472 1.999 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997187284 703476947 /nfs/dbraw/zinc/47/69/47/703476947.db2.gz XPYNCQGYUHITNA-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000997188109 703477930 /nfs/dbraw/zinc/47/79/30/703477930.db2.gz YNXYCYLWIKPEET-OAHLLOKOSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997278623 703536805 /nfs/dbraw/zinc/53/68/05/703536805.db2.gz HCUUQEZWIDVHDT-MPTYRVRUSA-N 2 0 325.497 1.314 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccnc(Cl)c3)CC2)C1 ZINC000997297223 703555765 /nfs/dbraw/zinc/55/57/65/703555765.db2.gz DGMZSJWBFDZIHJ-CQSZACIVSA-N 2 0 336.867 1.767 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2nccn2C)CC1)[NH+]1CCCC1 ZINC000997368188 703604937 /nfs/dbraw/zinc/60/49/37/703604937.db2.gz BARFIQCWOPMXHH-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1)[NH+]1CCCC1 ZINC000997368222 703605121 /nfs/dbraw/zinc/60/51/21/703605121.db2.gz CWLYPZUKBMVVLP-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CCCCC2)CC1 ZINC001032705939 706756632 /nfs/dbraw/zinc/75/66/32/706756632.db2.gz RUSHYAFCIORUFG-ROUUACIJSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997588579 703876906 /nfs/dbraw/zinc/87/69/06/703876906.db2.gz XZSUGRGIZSKVNM-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997606927 703905616 /nfs/dbraw/zinc/90/56/16/703905616.db2.gz NGWIESKMHSDTCS-QGZVFWFLSA-N 2 0 334.464 1.714 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)C1 ZINC000997614935 703912725 /nfs/dbraw/zinc/91/27/25/703912725.db2.gz WKLWLFRWCYJDDX-DOTOQJQBSA-N 2 0 325.497 1.173 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001004204041 703941958 /nfs/dbraw/zinc/94/19/58/703941958.db2.gz ODAGNCBSDCWQDM-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP CC(C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597750 704294218 /nfs/dbraw/zinc/29/42/18/704294218.db2.gz IQFYQXJETICEBG-FCGDIQPGSA-N 2 0 349.519 1.676 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999308910 706809898 /nfs/dbraw/zinc/80/98/98/706809898.db2.gz SKJJNZQDASRMEX-DOTOQJQBSA-N 2 0 334.464 1.938 20 0 EDADRP C[N@H+](CCCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000922808567 704384716 /nfs/dbraw/zinc/38/47/16/704384716.db2.gz CAMJMBJJWOCSCA-HZPDHXFCSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCF)CC1 ZINC000997692978 704562545 /nfs/dbraw/zinc/56/25/45/704562545.db2.gz VXGRGSDWAWVGJN-DFFOAJLQSA-N 2 0 339.455 1.036 20 0 EDADRP C[C@H](NC(=O)c1occc1C[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC000997735425 704627780 /nfs/dbraw/zinc/62/77/80/704627780.db2.gz OZETWOZSLWSRJX-AWEZNQCLSA-N 2 0 337.464 1.554 20 0 EDADRP C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997736131 704628577 /nfs/dbraw/zinc/62/85/77/704628577.db2.gz OGJZKIXGQQACRT-HNNXBMFYSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997777031 704678000 /nfs/dbraw/zinc/67/80/00/704678000.db2.gz RDXGJAVICGIESW-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000997782986 704687626 /nfs/dbraw/zinc/68/76/26/704687626.db2.gz BDTFNIRSKCIAOS-INIZCTEOSA-N 2 0 347.463 1.048 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1 ZINC000997785053 704688943 /nfs/dbraw/zinc/68/89/43/704688943.db2.gz IIZWDTABUMGFRY-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)c(C)o1 ZINC000997830250 704748809 /nfs/dbraw/zinc/74/88/09/704748809.db2.gz GFOWQPUOIRITRN-GOSISDBHSA-N 2 0 348.491 1.960 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)C1CC1 ZINC000997830398 704749090 /nfs/dbraw/zinc/74/90/90/704749090.db2.gz JUAPQQJUBWWLJB-GOSISDBHSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997836859 704753775 /nfs/dbraw/zinc/75/37/75/704753775.db2.gz NGEUYWRPAGGVQX-KBPBESRZSA-N 2 0 334.464 1.359 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)on1 ZINC000997842346 704757457 /nfs/dbraw/zinc/75/74/57/704757457.db2.gz BEFZOVGDIRAQOJ-KRWDZBQOSA-N 2 0 336.480 1.897 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1)[NH+](C)C ZINC000997844357 704759717 /nfs/dbraw/zinc/75/97/17/704759717.db2.gz NGEFTINPQOLKAB-SFHVURJKSA-N 2 0 332.492 1.996 20 0 EDADRP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918950 704770209 /nfs/dbraw/zinc/77/02/09/704770209.db2.gz LQUPCFPCUXBDEO-UKRRQHHQSA-N 2 0 329.435 1.954 20 0 EDADRP CCn1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997863682 704770838 /nfs/dbraw/zinc/77/08/38/704770838.db2.gz DKAGDPSOHILWAX-INIZCTEOSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997864434 704770911 /nfs/dbraw/zinc/77/09/11/704770911.db2.gz HXOOOWOCCCMOKK-QGZVFWFLSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000997860764 704771483 /nfs/dbraw/zinc/77/14/83/704771483.db2.gz CUFNEHIXFSWVSE-XJKSGUPXSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)ncn1 ZINC000944920831 704773140 /nfs/dbraw/zinc/77/31/40/704773140.db2.gz WMPDRVDOAMAHOE-PBHICJAKSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997868449 704773644 /nfs/dbraw/zinc/77/36/44/704773644.db2.gz USVCYQHJYUHHBK-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C)C1CCCC1 ZINC001032573863 704952493 /nfs/dbraw/zinc/95/24/93/704952493.db2.gz VBKVUVSHBLFTKU-CADBVGFASA-N 2 0 349.519 1.961 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CCC[N@H+](CCOC)CC1 ZINC000998005359 705163633 /nfs/dbraw/zinc/16/36/33/705163633.db2.gz AAYDQFLUQMJATH-BRWVUGGUSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998081586 705302520 /nfs/dbraw/zinc/30/25/20/705302520.db2.gz JYLIUYAWGXZSML-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998081687 705303901 /nfs/dbraw/zinc/30/39/01/705303901.db2.gz LZVDZOSWIMXNJQ-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000998080553 705306142 /nfs/dbraw/zinc/30/61/42/705306142.db2.gz DGGHEUSLJDZPML-MRXNPFEDSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000998082510 705310026 /nfs/dbraw/zinc/31/00/26/705310026.db2.gz QDSUWWWRTJODMB-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000998083068 705311408 /nfs/dbraw/zinc/31/14/08/705311408.db2.gz UJEFTRCCFQOFIG-VQIMIIECSA-N 2 0 344.503 1.916 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000998084096 705314584 /nfs/dbraw/zinc/31/45/84/705314584.db2.gz ZNYVIOMOMLUKIT-ZIAGYGMSSA-N 2 0 349.479 1.752 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cc(OC)ccn2)CC1)[NH+](C)C ZINC000998085868 705318104 /nfs/dbraw/zinc/31/81/04/705318104.db2.gz ITRVRWWMWODUOH-SFHVURJKSA-N 2 0 348.491 1.759 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC000998215475 705535918 /nfs/dbraw/zinc/53/59/18/705535918.db2.gz ADFHUXPOCWWXHZ-QGZVFWFLSA-N 2 0 345.491 1.455 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000998221106 705545551 /nfs/dbraw/zinc/54/55/51/705545551.db2.gz BTMZCZBKPQBNMW-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998718107 706149930 /nfs/dbraw/zinc/14/99/30/706149930.db2.gz BCLOBJNRQXXFAA-JKSUJKDBSA-N 2 0 332.448 1.265 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000998720149 706152319 /nfs/dbraw/zinc/15/23/19/706152319.db2.gz IKSVCJPSTXJEGF-RBUKOAKNSA-N 2 0 343.471 1.892 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998728168 706158166 /nfs/dbraw/zinc/15/81/66/706158166.db2.gz BTRIUDSFLMPMAE-WMZOPIPTSA-N 2 0 349.450 1.493 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000998988613 706420503 /nfs/dbraw/zinc/42/05/03/706420503.db2.gz WKMYWIKEAYDVJD-WWDZGPRUSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)[nH]1 ZINC000998992978 706424957 /nfs/dbraw/zinc/42/49/57/706424957.db2.gz DECBZQNEBGHJQI-YMAMQOFZSA-N 2 0 348.495 1.491 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999356099 706846428 /nfs/dbraw/zinc/84/64/28/706846428.db2.gz YHFYDBPBKDESTM-IRXDYDNUSA-N 2 0 347.507 1.764 20 0 EDADRP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000999344905 706856398 /nfs/dbraw/zinc/85/63/98/706856398.db2.gz WSPHXJNMILRAJJ-UHFFFAOYSA-N 2 0 347.507 1.366 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H]([NH2+]CC2CC2)C1 ZINC000999352538 706865352 /nfs/dbraw/zinc/86/53/52/706865352.db2.gz JNJVPQRAQGKUIT-SJLPKXTDSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)nn1 ZINC000999406815 706916048 /nfs/dbraw/zinc/91/60/48/706916048.db2.gz RUQMWYLRLNXBIP-HPUBIQBYSA-N 2 0 348.495 1.422 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC000999435677 706942888 /nfs/dbraw/zinc/94/28/88/706942888.db2.gz RZKXASQEDROPEQ-WMZOPIPTSA-N 2 0 348.491 1.757 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1)[NH+]1CCCCCC1 ZINC000999507086 707004447 /nfs/dbraw/zinc/00/44/47/707004447.db2.gz WBFVMXGCYXNAPL-KLAILNCOSA-N 2 0 348.495 1.122 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000999507771 707005440 /nfs/dbraw/zinc/00/54/40/707005440.db2.gz DXGVEDRPNCYNGG-SJORKVTESA-N 2 0 346.475 1.655 20 0 EDADRP COc1nccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000999515080 707014020 /nfs/dbraw/zinc/01/40/20/707014020.db2.gz WZAMSPVNDQAICH-HOTGVXAUSA-N 2 0 347.463 1.050 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1)C12CCC[NH+]1CCC2 ZINC000999598652 707101294 /nfs/dbraw/zinc/10/12/94/707101294.db2.gz WLMJSKNCHGYTCR-QGZVFWFLSA-N 2 0 346.450 1.930 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999689213 707244562 /nfs/dbraw/zinc/24/45/62/707244562.db2.gz PNQOFEBRBJVIKR-FHERZECASA-N 2 0 334.464 1.712 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999690516 707247606 /nfs/dbraw/zinc/24/76/06/707247606.db2.gz ZZDSWMIBCJKOHU-ODIFPOPNSA-N 2 0 333.480 1.324 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033197696 707434035 /nfs/dbraw/zinc/43/40/35/707434035.db2.gz JHTIEWMIKSTDMN-MSOLQXFVSA-N 2 0 347.507 1.517 20 0 EDADRP CN(C)c1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000999836850 707472767 /nfs/dbraw/zinc/47/27/67/707472767.db2.gz LWJSFILMFVXYPB-KLAILNCOSA-N 2 0 345.491 1.178 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)cn1 ZINC000999882611 707534778 /nfs/dbraw/zinc/53/47/78/707534778.db2.gz ODGPUWKGPPVLOB-INIZCTEOSA-N 2 0 345.491 1.740 20 0 EDADRP CN(C)c1ccncc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1 ZINC001032735608 707753770 /nfs/dbraw/zinc/75/37/70/707753770.db2.gz ALENJFAHFNMFML-PMPSAXMXSA-N 2 0 344.459 1.473 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)n1 ZINC001000199975 707839444 /nfs/dbraw/zinc/83/94/44/707839444.db2.gz OAGUWBJUUVTNTF-AEFFLSMTSA-N 2 0 347.507 1.886 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989613 707849002 /nfs/dbraw/zinc/84/90/02/707849002.db2.gz GFTMAOOHFYDOIS-FUHWJXTLSA-N 2 0 345.491 1.740 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000921720836 707903997 /nfs/dbraw/zinc/90/39/97/707903997.db2.gz MJJSTCLNZPMZIX-GOSISDBHSA-N 2 0 333.476 1.715 20 0 EDADRP O=C(NCC1=CCN(Cc2ccon2)CC1)C12CCC[NH+](CCC1)C2 ZINC001000839727 708070833 /nfs/dbraw/zinc/07/08/33/708070833.db2.gz GMEFSAQKUGTTTB-UHFFFAOYSA-N 2 0 344.459 1.799 20 0 EDADRP CO[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCC1 ZINC001005184568 708111250 /nfs/dbraw/zinc/11/12/50/708111250.db2.gz ODHMVITXZZRLDK-ROUUACIJSA-N 2 0 337.508 1.819 20 0 EDADRP CCc1nocc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005180594 708124159 /nfs/dbraw/zinc/12/41/59/708124159.db2.gz TXQIXDLIGCWWSV-QGZVFWFLSA-N 2 0 334.464 1.754 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001001680501 708198383 /nfs/dbraw/zinc/19/83/83/708198383.db2.gz MKJIBVCZNYVCPE-UHFFFAOYSA-N 2 0 347.503 1.615 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)cn1 ZINC001033582095 708264776 /nfs/dbraw/zinc/26/47/76/708264776.db2.gz NZLWFBSTKGLEBS-WMZOPIPTSA-N 2 0 347.507 1.320 20 0 EDADRP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033593900 708294442 /nfs/dbraw/zinc/29/44/42/708294442.db2.gz NVONOPNPLFQHKB-QGZVFWFLSA-N 2 0 328.460 1.519 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC001033594480 708296223 /nfs/dbraw/zinc/29/62/23/708296223.db2.gz QKXCKUUKLJNVAO-SFHVURJKSA-N 2 0 327.472 1.858 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC001001831831 708335251 /nfs/dbraw/zinc/33/52/51/708335251.db2.gz ARELXFLVOLMCRB-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831870 708357767 /nfs/dbraw/zinc/35/77/67/708357767.db2.gz AZHPKPYOOZMYFP-FUHWJXTLSA-N 2 0 344.503 1.916 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CCCF)CC2)cn1 ZINC001001923942 708430845 /nfs/dbraw/zinc/43/08/45/708430845.db2.gz JJMWNLBKJSEEAV-UHFFFAOYSA-N 2 0 339.459 1.246 20 0 EDADRP CN(C)c1cc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001033666089 708450206 /nfs/dbraw/zinc/45/02/06/708450206.db2.gz UOKKGMCDSBQYFN-IAGOWNOFSA-N 2 0 345.491 1.132 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033661472 708474378 /nfs/dbraw/zinc/47/43/78/708474378.db2.gz LMVLMFZDBNPLQV-ZWKOTPCHSA-N 2 0 331.460 1.163 20 0 EDADRP O=C(NCC1CC[NH+](CCn2cccn2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001002087510 708595111 /nfs/dbraw/zinc/59/51/11/708595111.db2.gz CHNQKSNHJYFBDW-IBGZPJMESA-N 2 0 345.491 1.197 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001002122540 708637084 /nfs/dbraw/zinc/63/70/84/708637084.db2.gz DKVBJEZMEWYPSH-QGZVFWFLSA-N 2 0 331.464 1.065 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2cncn2C)CC1 ZINC001002157786 708672013 /nfs/dbraw/zinc/67/20/13/708672013.db2.gz LRYBJVARVYHHIJ-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005384676 708822320 /nfs/dbraw/zinc/82/23/20/708822320.db2.gz NGLXJTFODSGTRI-WMZOPIPTSA-N 2 0 337.508 1.819 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CCN(Cc2cnoc2C)C1 ZINC001033830241 708851637 /nfs/dbraw/zinc/85/16/37/708851637.db2.gz GFPCPNCMSLXDCQ-ZWKOTPCHSA-N 2 0 346.475 1.748 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033831134 708853424 /nfs/dbraw/zinc/85/34/24/708853424.db2.gz TUEOXZOHTSXDFU-RBUKOAKNSA-N 2 0 342.487 1.846 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005395718 708876736 /nfs/dbraw/zinc/87/67/36/708876736.db2.gz CPDKDHBPHBVISG-LPHOPBHVSA-N 2 0 349.519 1.678 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCOC)C2 ZINC001040544826 709084960 /nfs/dbraw/zinc/08/49/60/709084960.db2.gz KMZZPCHHYLSJBL-MJGOQNOKSA-N 2 0 337.508 1.822 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033983801 709193241 /nfs/dbraw/zinc/19/32/41/709193241.db2.gz YHZGOMALUGNMFL-GOSISDBHSA-N 2 0 347.507 1.947 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001034014743 709230490 /nfs/dbraw/zinc/23/04/90/709230490.db2.gz CROSYCVQEOUXNH-ROUUACIJSA-N 2 0 349.519 1.822 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001034039556 709272458 /nfs/dbraw/zinc/27/24/58/709272458.db2.gz KCXMGPGFGUEINX-LSDHHAIUSA-N 2 0 329.435 1.906 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001002859277 709467012 /nfs/dbraw/zinc/46/70/12/709467012.db2.gz OQDBYHOKWNVQLJ-BPQIPLTHSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369763 709855938 /nfs/dbraw/zinc/85/59/38/709855938.db2.gz UZKXCUHCRVUFEI-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP CO[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000453101764 709896618 /nfs/dbraw/zinc/89/66/18/709896618.db2.gz ZHEGTMKANURMPZ-SJORKVTESA-N 2 0 330.476 1.881 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034396437 709935740 /nfs/dbraw/zinc/93/57/40/709935740.db2.gz FRBYOEHABIVLKD-IAGOWNOFSA-N 2 0 333.480 1.338 20 0 EDADRP CO[C@H](C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1)C1CCC1 ZINC001034528548 710182572 /nfs/dbraw/zinc/18/25/72/710182572.db2.gz PEXNUNMDGGCSNY-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C1 ZINC001034541386 710215163 /nfs/dbraw/zinc/21/51/63/710215163.db2.gz PPCCVUYOPBBCCL-KRWDZBQOSA-N 2 0 333.476 1.979 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1 ZINC001034606743 710269754 /nfs/dbraw/zinc/26/97/54/710269754.db2.gz CHIJNYWFQXMOGN-GUDVDZBRSA-N 2 0 345.487 1.790 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034607424 710270899 /nfs/dbraw/zinc/27/08/99/710270899.db2.gz OVAAAWPMRJOSCH-DZKIICNBSA-N 2 0 336.505 1.797 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034607429 710271068 /nfs/dbraw/zinc/27/10/68/710271068.db2.gz PCOVIWNGJKOXEK-BFYDXBDKSA-N 2 0 333.480 1.074 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001032838390 710279045 /nfs/dbraw/zinc/27/90/45/710279045.db2.gz QWOJMLFOJYPRHF-BRWVUGGUSA-N 2 0 335.423 1.144 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1csnn1 ZINC001034610490 710284625 /nfs/dbraw/zinc/28/46/25/710284625.db2.gz RETYLQVECBTUAY-BHPKHCPMSA-N 2 0 337.493 1.710 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001034610710 710284888 /nfs/dbraw/zinc/28/48/88/710284888.db2.gz ZLFFNQRXBARQQD-IHRRRGAJSA-N 2 0 337.493 1.458 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001034610714 710284967 /nfs/dbraw/zinc/28/49/67/710284967.db2.gz ZQGMALDSDUUNMY-CADBVGFASA-N 2 0 345.487 1.831 20 0 EDADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001034663428 710332555 /nfs/dbraw/zinc/33/25/55/710332555.db2.gz XZMFRQWXDZHGIJ-LUKYLMHMSA-N 2 0 325.497 1.647 20 0 EDADRP Cc1nccc(N(C)[C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001061279203 710419240 /nfs/dbraw/zinc/41/92/40/710419240.db2.gz DXIKYUABMKOESJ-VNQPRFMTSA-N 2 0 331.464 1.552 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC001003633719 710461571 /nfs/dbraw/zinc/46/15/71/710461571.db2.gz HOWFFKKMJCQKSG-CJNGLKHVSA-N 2 0 349.479 1.089 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001003734786 710516904 /nfs/dbraw/zinc/51/69/04/710516904.db2.gz ALDYHSHFXJSWNC-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001003841109 710674397 /nfs/dbraw/zinc/67/43/97/710674397.db2.gz HGYFCJJVJMUELE-YLJYHZDGSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H](C)O)CC1 ZINC001034683667 710698562 /nfs/dbraw/zinc/69/85/62/710698562.db2.gz XLOYLRVJKWSWEZ-QAETUUGQSA-N 2 0 325.497 1.505 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034734838 710913764 /nfs/dbraw/zinc/91/37/64/710913764.db2.gz AIABRIQEKFZTJY-IHRRRGAJSA-N 2 0 337.493 1.539 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034734322 710916301 /nfs/dbraw/zinc/91/63/01/710916301.db2.gz NQGVQADSKAGZJY-MGPQQGTHSA-N 2 0 337.493 1.397 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734733 710917174 /nfs/dbraw/zinc/91/71/74/710917174.db2.gz WRYPEKBOTBVUOH-ZTFGCOKTSA-N 2 0 347.507 1.587 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034735452 710920591 /nfs/dbraw/zinc/92/05/91/710920591.db2.gz HMEMGLXWDNRHKP-MHORFTMASA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1 ZINC001034738215 710953649 /nfs/dbraw/zinc/95/36/49/710953649.db2.gz RMELSIBOQQVXOK-NBOOPKSLSA-N 2 0 330.476 1.796 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001032960133 710967327 /nfs/dbraw/zinc/96/73/27/710967327.db2.gz NSVLVSMWIRUVDQ-MSOLQXFVSA-N 2 0 331.460 1.306 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)[nH]1 ZINC001034795981 711115717 /nfs/dbraw/zinc/11/57/17/711115717.db2.gz APEZFRYTZLFBJE-RRCSTGOVSA-N 2 0 348.495 1.503 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034796283 711120767 /nfs/dbraw/zinc/12/07/67/711120767.db2.gz HHCPYKVZMDGEFS-JFIYKMOQSA-N 2 0 347.507 1.812 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)c(C)o1 ZINC001034793754 711124477 /nfs/dbraw/zinc/12/44/77/711124477.db2.gz QIQXPCDNXSXLCK-WKILWMFISA-N 2 0 334.464 1.904 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001003972972 711127837 /nfs/dbraw/zinc/12/78/37/711127837.db2.gz CIVARKRUMFHVMN-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP Cn1cncc1CC(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003972956 711127975 /nfs/dbraw/zinc/12/79/75/711127975.db2.gz CEZPSQJVJCEROY-UHFFFAOYSA-N 2 0 333.461 1.242 20 0 EDADRP O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001034818182 711204373 /nfs/dbraw/zinc/20/43/73/711204373.db2.gz CWDJKGWDUVCHDO-OALUTQOASA-N 2 0 343.471 1.666 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(Cl)nc1 ZINC001034881232 711281280 /nfs/dbraw/zinc/28/12/80/711281280.db2.gz DMIWLSFMFYCBPK-CABCVRRESA-N 2 0 336.867 1.910 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034935619 711362876 /nfs/dbraw/zinc/36/28/76/711362876.db2.gz AJQJUHYBFXDQDD-WBVHZDCISA-N 2 0 333.480 1.374 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)nn1C ZINC001034942575 711395814 /nfs/dbraw/zinc/39/58/14/711395814.db2.gz YXJYCXCGKATBSZ-QZTJIDSGSA-N 2 0 345.491 1.151 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001034954395 711420449 /nfs/dbraw/zinc/42/04/49/711420449.db2.gz PGGDLQHKVKFLHS-MSOLQXFVSA-N 2 0 347.507 1.858 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034940278 711443362 /nfs/dbraw/zinc/44/33/62/711443362.db2.gz YYAXOQLVXQIADT-DJIMGWMZSA-N 2 0 333.480 1.324 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]Cc1cccnc1 ZINC001034940641 711444324 /nfs/dbraw/zinc/44/43/24/711444324.db2.gz GMHGVUGXRVHHJP-MSOLQXFVSA-N 2 0 328.460 1.504 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC001004147452 711559263 /nfs/dbraw/zinc/55/92/63/711559263.db2.gz IBJPTOMXHJWCGB-SFHVURJKSA-N 2 0 337.508 1.604 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123870 711852872 /nfs/dbraw/zinc/85/28/72/711852872.db2.gz SXRFURJYHUIAID-JSGCOSHPSA-N 2 0 325.478 1.337 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001004540029 711964662 /nfs/dbraw/zinc/96/46/62/711964662.db2.gz PDRRPRHVJZGXKK-ZWKOTPCHSA-N 2 0 339.524 1.922 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946631425 712017456 /nfs/dbraw/zinc/01/74/56/712017456.db2.gz GUUOAGZCICFJTQ-FGTMMUONSA-N 2 0 337.508 1.414 20 0 EDADRP O=C(N1CCC([C@H]2CCC[N@H+]2CCCO)CC1)C12CC[NH+](CC1)C2 ZINC001004600654 712044808 /nfs/dbraw/zinc/04/48/08/712044808.db2.gz GMNLFUKWGMQHBQ-QGZVFWFLSA-N 2 0 335.492 1.168 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H]1CC[N@@H+](C2CCCCCC2)C1 ZINC000366636073 282129921 /nfs/dbraw/zinc/12/99/21/282129921.db2.gz MACRSGHCNLFSTK-QAPCUYQASA-N 2 0 340.512 1.395 20 0 EDADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000369439676 282226390 /nfs/dbraw/zinc/22/63/90/282226390.db2.gz WQQGTYPIAVTLCI-JQHSSLGASA-N 2 0 330.476 1.998 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)C1CCCCC1 ZINC000356229530 282242391 /nfs/dbraw/zinc/24/23/91/282242391.db2.gz AFADQLLFTFAROL-QGZVFWFLSA-N 2 0 333.480 1.725 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000333702862 299092818 /nfs/dbraw/zinc/09/28/18/299092818.db2.gz RBRWYHYDTJXLQG-ULQDDVLXSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+](C)[C@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000266202106 282261691 /nfs/dbraw/zinc/26/16/91/282261691.db2.gz OQWISELKKGNKTG-KRWDZBQOSA-N 2 0 330.476 1.431 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178013303 232059140 /nfs/dbraw/zinc/05/91/40/232059140.db2.gz BNZIWUCAYPEUBS-IAGOWNOFSA-N 2 0 346.475 1.676 20 0 EDADRP CNC(=O)CC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000093587788 539522725 /nfs/dbraw/zinc/52/27/25/539522725.db2.gz ZNVYNVDSJSLCJX-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000560516005 306273033 /nfs/dbraw/zinc/27/30/33/306273033.db2.gz VUXQIQMATDSERA-NXHRZFHOSA-N 2 0 346.475 1.140 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@H]2CCC[C@@H]21 ZINC000560583949 306275077 /nfs/dbraw/zinc/27/50/77/306275077.db2.gz DOHNZMNTJPKICX-FZKCQIBNSA-N 2 0 329.510 1.263 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000649346593 452028288 /nfs/dbraw/zinc/02/82/88/452028288.db2.gz VBFWWTXKFTZNLG-AWEZNQCLSA-N 2 0 325.840 1.437 20 0 EDADRP O=C(C[N@@H+]1CC[C@H](Nc2ccccc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000102845555 219234569 /nfs/dbraw/zinc/23/45/69/219234569.db2.gz OIYZMQYWYCCSQR-SFHVURJKSA-N 2 0 342.487 1.916 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000561046049 306281797 /nfs/dbraw/zinc/28/17/97/306281797.db2.gz RUNDVUAFRYDFOJ-MRXNPFEDSA-N 2 0 346.475 1.907 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1)C(C)C ZINC000353015155 535070587 /nfs/dbraw/zinc/07/05/87/535070587.db2.gz LOLLEJCMYWNRSO-UHFFFAOYSA-N 2 0 342.528 1.640 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000561156255 306283033 /nfs/dbraw/zinc/28/30/33/306283033.db2.gz UCFVLAOOAJAIQC-DOTOQJQBSA-N 2 0 333.480 1.012 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)CC1 ZINC000342975731 539768112 /nfs/dbraw/zinc/76/81/12/539768112.db2.gz JMTFINSLMQGZSC-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177828158 282832163 /nfs/dbraw/zinc/83/21/63/282832163.db2.gz SXUDLXMJZRODCQ-KRWDZBQOSA-N 2 0 340.475 1.734 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000562809237 306310007 /nfs/dbraw/zinc/31/00/07/306310007.db2.gz HBASCXMYHOAIHM-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000562998434 306315299 /nfs/dbraw/zinc/31/52/99/306315299.db2.gz IPRUNSOHXFCGOW-XUVXKRRUSA-N 2 0 331.504 1.768 20 0 EDADRP COc1cc(F)c(C[NH2+]CCN2CCC([NH+](C)C)CC2)cc1OC ZINC000563256936 306324886 /nfs/dbraw/zinc/32/48/86/306324886.db2.gz FLUNJYJWWDBXIU-UHFFFAOYSA-N 2 0 339.455 1.959 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187029457 540153085 /nfs/dbraw/zinc/15/30/85/540153085.db2.gz IZIRBYYCCSEGAM-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)C1 ZINC000563381335 306330915 /nfs/dbraw/zinc/33/09/15/306330915.db2.gz RIZOFOXZUMSQIE-OAHLLOKOSA-N 2 0 345.491 1.892 20 0 EDADRP CCCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357066160 283148484 /nfs/dbraw/zinc/14/84/84/283148484.db2.gz BTCPQVMPPCJENV-CYBMUJFWSA-N 2 0 339.402 1.475 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000563578537 306339527 /nfs/dbraw/zinc/33/95/27/306339527.db2.gz ACHDUQBIGSOTIZ-BPQIPLTHSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426266 138288738 /nfs/dbraw/zinc/28/87/38/138288738.db2.gz DRXVGWZCGZYULZ-UHFFFAOYSA-N 2 0 349.523 1.645 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000563597698 306341112 /nfs/dbraw/zinc/34/11/12/306341112.db2.gz LCJUDZGSMYQXIJ-KSZLIROESA-N 2 0 346.475 1.614 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000364060886 283220110 /nfs/dbraw/zinc/22/01/10/283220110.db2.gz RTHMWVLMORDREW-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CN1CCN(C(=O)NCCOc2ccc(Cl)c(F)c2)[C@H](C[NH3+])C1 ZINC000563606052 306341419 /nfs/dbraw/zinc/34/14/19/306341419.db2.gz QCSKKYUXCPZAIR-LLVKDONJSA-N 2 0 344.818 1.142 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000563945437 306353010 /nfs/dbraw/zinc/35/30/10/306353010.db2.gz KXFBEWRWDIEKJH-OKYOBFRVSA-N 2 0 344.503 1.847 20 0 EDADRP Cc1ncn(-c2ccc(NC[C@H](O)C[NH+]3CCN(C)CC3)cc2)c1C ZINC000564076354 306354833 /nfs/dbraw/zinc/35/48/33/306354833.db2.gz KLZOXPZZUYPVJK-IBGZPJMESA-N 2 0 343.475 1.509 20 0 EDADRP [NH3+]C1(C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)Cc2ccccc2C1 ZINC000178824071 283398924 /nfs/dbraw/zinc/39/89/24/283398924.db2.gz FSGOMQNSRGGAEM-INIZCTEOSA-N 2 0 327.472 1.817 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413844128 304080195 /nfs/dbraw/zinc/08/01/95/304080195.db2.gz LFSNDQUWGPCYHE-IXDOHACOSA-N 2 0 338.540 1.780 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000564551405 306360325 /nfs/dbraw/zinc/36/03/25/306360325.db2.gz XNNKCMAMAPJFOW-BHIYHBOVSA-N 2 0 344.503 1.848 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000564562480 306360664 /nfs/dbraw/zinc/36/06/64/306360664.db2.gz GZQAZGFNUPVQBG-MISYRCLQSA-N 2 0 348.487 1.702 20 0 EDADRP O=C(C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)N1CC[NH2+]CC1 ZINC000564722717 306363795 /nfs/dbraw/zinc/36/37/95/306363795.db2.gz QWBJBHUMCSARIO-AWEZNQCLSA-N 2 0 343.349 1.594 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1([NH3+])CCC1 ZINC000564801432 306365503 /nfs/dbraw/zinc/36/55/03/306365503.db2.gz VJXACNIXDDEILJ-UHFFFAOYSA-N 2 0 332.448 1.657 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC(=O)NCC3CC3)CC2)C[C@@H](C)O1 ZINC000177497191 237389107 /nfs/dbraw/zinc/38/91/07/237389107.db2.gz PVBMGQMITXJORU-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000414004218 304093864 /nfs/dbraw/zinc/09/38/64/304093864.db2.gz HGUKSFLBSFPWFO-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580801 296026356 /nfs/dbraw/zinc/02/63/56/296026356.db2.gz GDLXJJGBYVILHN-CABCVRRESA-N 2 0 340.512 1.835 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000130253098 223137364 /nfs/dbraw/zinc/13/73/64/223137364.db2.gz JSPVCHAXVUWEBH-MRXNPFEDSA-N 2 0 336.455 1.851 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C(=O)Nc2cccc(C)n2)C1 ZINC000565841304 306393287 /nfs/dbraw/zinc/39/32/87/306393287.db2.gz RGOLRZRLZJSARU-JKSUJKDBSA-N 2 0 334.464 1.353 20 0 EDADRP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414478660 304117860 /nfs/dbraw/zinc/11/78/60/304117860.db2.gz FOZXFCCXVPGLKX-QGZVFWFLSA-N 2 0 347.503 1.709 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CCCCC1 ZINC000566094045 306398734 /nfs/dbraw/zinc/39/87/34/306398734.db2.gz VIKRNARTOPBXTL-AWEZNQCLSA-N 2 0 334.468 1.197 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000414700983 304129925 /nfs/dbraw/zinc/12/99/25/304129925.db2.gz JVSGPQMFLVKRLH-KBPBESRZSA-N 2 0 332.448 1.635 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000414709993 304131392 /nfs/dbraw/zinc/13/13/92/304131392.db2.gz RHCLGGMKRJNPAK-RKVPGOIHSA-N 2 0 349.450 1.785 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](c3c(F)cccc3F)C2)C1 ZINC000414746109 304136348 /nfs/dbraw/zinc/13/63/48/304136348.db2.gz QEEHNVVLSJFWQB-KBPBESRZSA-N 2 0 337.414 1.951 20 0 EDADRP COc1cc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc(OC)c1 ZINC000414760117 304137705 /nfs/dbraw/zinc/13/77/05/304137705.db2.gz XVIXJMHEJGWXPG-ZIAGYGMSSA-N 2 0 335.448 1.962 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000414842334 304146816 /nfs/dbraw/zinc/14/68/16/304146816.db2.gz YZEOQZNPZBXLBP-CQSZACIVSA-N 2 0 332.448 1.145 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c(OC)c1 ZINC000414987972 304148387 /nfs/dbraw/zinc/14/83/87/304148387.db2.gz OXUQNIFTRTXOPU-OAHLLOKOSA-N 2 0 347.381 1.630 20 0 EDADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989756 304148936 /nfs/dbraw/zinc/14/89/36/304148936.db2.gz QYLHSNNKLRHGLE-UKRRQHHQSA-N 2 0 347.429 1.821 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000415028661 304152070 /nfs/dbraw/zinc/15/20/70/304152070.db2.gz CXCBBAHLPOIOOV-JGGQBBKZSA-N 2 0 330.432 1.197 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000415039405 304153456 /nfs/dbraw/zinc/15/34/56/304153456.db2.gz MWIMDCQKOHVDSK-CZUORRHYSA-N 2 0 332.448 1.334 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000567146472 306439566 /nfs/dbraw/zinc/43/95/66/306439566.db2.gz WVCGIKLQWIECJE-MSOLQXFVSA-N 2 0 345.491 1.026 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@H]2C)c1 ZINC000415124828 304162043 /nfs/dbraw/zinc/16/20/43/304162043.db2.gz NJDCHUHKSBIICB-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137480 304163143 /nfs/dbraw/zinc/16/31/43/304163143.db2.gz JBTAYNJEGVDRGZ-HOTGVXAUSA-N 2 0 334.489 1.777 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)s1 ZINC000415137689 304163153 /nfs/dbraw/zinc/16/31/53/304163153.db2.gz JBTAYNJEGVDRGZ-HZPDHXFCSA-N 2 0 334.489 1.777 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159773 304168019 /nfs/dbraw/zinc/16/80/19/304168019.db2.gz GYTGDAJYYNXBLR-ZBFHGGJFSA-N 2 0 330.432 1.027 20 0 EDADRP CN(CC[NH3+])C(=O)Nc1cccc(NC(=O)CC[NH+]2CCCCC2)c1 ZINC000415161638 304168276 /nfs/dbraw/zinc/16/82/76/304168276.db2.gz NAAZYYJBWORCCV-UHFFFAOYSA-N 2 0 347.463 1.924 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000236889070 139034302 /nfs/dbraw/zinc/03/43/02/139034302.db2.gz FVZGAGHSFFAIOJ-LPHOPBHVSA-N 2 0 346.519 1.814 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237314525 139047526 /nfs/dbraw/zinc/04/75/26/139047526.db2.gz MSBMPPDGUOXZMO-SFHVURJKSA-N 2 0 346.519 1.869 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000237287308 139046493 /nfs/dbraw/zinc/04/64/93/139046493.db2.gz WIHYSHXFCSKTPJ-SFHVURJKSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@H]1CN(c2ccc(CNC(=O)CCCCCC[NH3+])cn2)CCO1 ZINC000237695129 139058187 /nfs/dbraw/zinc/05/81/87/139058187.db2.gz HROMJKVVLOAVMZ-HNNXBMFYSA-N 2 0 334.464 1.832 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]([NH3+])Cc2ccccc2)C[C@H](C)O1 ZINC000237665875 139057367 /nfs/dbraw/zinc/05/73/67/139057367.db2.gz OEGYQHZONLNTMV-JZXOWHBKSA-N 2 0 333.476 1.562 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000111660842 220177208 /nfs/dbraw/zinc/17/72/08/220177208.db2.gz CGIOHSUCUPAGQH-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1CCC[NH2+]1 ZINC000237904996 139063473 /nfs/dbraw/zinc/06/34/73/139063473.db2.gz MSRBLCRTMKBDHV-GOSISDBHSA-N 2 0 328.460 1.909 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000238001926 139066167 /nfs/dbraw/zinc/06/61/67/139066167.db2.gz XUILKUUIUYXSHE-IAGOWNOFSA-N 2 0 345.491 1.227 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415228688 304176724 /nfs/dbraw/zinc/17/67/24/304176724.db2.gz YSYBJYHBFYAJRM-VIFPVBQESA-N 2 0 346.353 1.169 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000238062850 139067926 /nfs/dbraw/zinc/06/79/26/139067926.db2.gz CQSGMCNVPJTELF-DLBZAZTESA-N 2 0 333.501 1.862 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(CN2CCOCC2)cc1 ZINC000238065484 139068085 /nfs/dbraw/zinc/06/80/85/139068085.db2.gz IDCCVCOCJLXFHC-MRXNPFEDSA-N 2 0 335.473 1.552 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111864804 220214612 /nfs/dbraw/zinc/21/46/12/220214612.db2.gz XHOCWNZRGAZPNU-QGZVFWFLSA-N 2 0 340.512 1.709 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000238152792 139069740 /nfs/dbraw/zinc/06/97/40/139069740.db2.gz DWMXCCKRCGVZOO-UHFFFAOYSA-N 2 0 345.487 1.649 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446898 139075225 /nfs/dbraw/zinc/07/52/25/139075225.db2.gz LPECWKACPDWABQ-ZWKOTPCHSA-N 2 0 336.476 1.846 20 0 EDADRP OCC[C@@H]1CCCC[NH+]1CC1(C[N@H+]2CCCC[C@H]2CCO)COC1 ZINC000245665504 139082433 /nfs/dbraw/zinc/08/24/33/139082433.db2.gz BEUMWTBYZCHUIB-ROUUACIJSA-N 2 0 340.508 1.477 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000245876739 139088292 /nfs/dbraw/zinc/08/82/92/139088292.db2.gz HOMXSTQJRRNEAI-HZPDHXFCSA-N 2 0 348.491 1.872 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000415286805 304185902 /nfs/dbraw/zinc/18/59/02/304185902.db2.gz USBFSVAACMBCTA-OAHLLOKOSA-N 2 0 346.475 1.453 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000246137928 139096333 /nfs/dbraw/zinc/09/63/33/139096333.db2.gz JIEZAOFZDLCAQS-DOTOQJQBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCCC[NH3+])cc2)C1 ZINC000415298689 304188647 /nfs/dbraw/zinc/18/86/47/304188647.db2.gz XLPNOAHEJUYHAA-AWEZNQCLSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000247048929 139133202 /nfs/dbraw/zinc/13/32/02/139133202.db2.gz NKCFPOXEAJJJCL-BRWVUGGUSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC2CCC([NH3+])CC2)c1 ZINC000415353843 304201644 /nfs/dbraw/zinc/20/16/44/304201644.db2.gz LZQXKYOURDSDLS-UHFFFAOYSA-N 2 0 346.475 1.853 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000568520847 306483582 /nfs/dbraw/zinc/48/35/82/306483582.db2.gz QCBXDSSFDPFFJE-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415379774 304209337 /nfs/dbraw/zinc/20/93/37/304209337.db2.gz OQLUSGWHZIKSJH-QGZVFWFLSA-N 2 0 344.459 1.132 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418754757 284680650 /nfs/dbraw/zinc/68/06/50/284680650.db2.gz FAZIQDXUZSPCRT-ULQDDVLXSA-N 2 0 339.528 1.090 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[NH+]3CCC2CC3)C2CC3CC(C2)CC1C3 ZINC000568731986 306487698 /nfs/dbraw/zinc/48/76/98/306487698.db2.gz XWZWWINJAWYTLM-UHFFFAOYSA-N 2 0 332.492 1.630 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000248169396 139159144 /nfs/dbraw/zinc/15/91/44/139159144.db2.gz IUPYHHFHWFKORQ-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173125 139188376 /nfs/dbraw/zinc/18/83/76/139188376.db2.gz XVKZLNOLWGFSKN-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])c2C1 ZINC000415418116 304219135 /nfs/dbraw/zinc/21/91/35/304219135.db2.gz NZLGMUJNLGEDHB-UONOGXRCSA-N 2 0 346.475 1.791 20 0 EDADRP C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550237 139208831 /nfs/dbraw/zinc/20/88/31/139208831.db2.gz LBNYZZZZCDBBKS-CGTJXYLNSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561745 139209078 /nfs/dbraw/zinc/20/90/78/139209078.db2.gz VTDFAEBOGCCZIO-RYQLBKOJSA-N 2 0 331.460 1.392 20 0 EDADRP CC(C)n1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cn1 ZINC000261642088 139213779 /nfs/dbraw/zinc/21/37/79/139213779.db2.gz IOYOATRRWHVLSD-NVXWUHKLSA-N 2 0 333.480 1.544 20 0 EDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)n1 ZINC000261674551 139216351 /nfs/dbraw/zinc/21/63/51/139216351.db2.gz MCOMGOCVZMJFAN-LSDHHAIUSA-N 2 0 332.448 1.176 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC1 ZINC000261701627 139218972 /nfs/dbraw/zinc/21/89/72/139218972.db2.gz JRZWHPJXZGPKNQ-MOPGFXCFSA-N 2 0 344.503 1.215 20 0 EDADRP [NH3+][C@H](C(=O)NCc1ccccc1C[NH+]1CCCC1)C1CCOCC1 ZINC000261705252 139219260 /nfs/dbraw/zinc/21/92/60/139219260.db2.gz IJHATZNNFVYTPA-SFHVURJKSA-N 2 0 331.460 1.653 20 0 EDADRP C[N@H+](CCNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000261690946 139217878 /nfs/dbraw/zinc/21/78/78/139217878.db2.gz HPPSAPNXHLSOPH-OAHLLOKOSA-N 2 0 340.265 1.833 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C[NH3+])C[C@H]3C)cc2)CC1 ZINC000261923195 139237376 /nfs/dbraw/zinc/23/73/76/139237376.db2.gz ZSGHXHWFHZQNGX-HZPDHXFCSA-N 2 0 330.476 1.638 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]21 ZINC000261941487 139238813 /nfs/dbraw/zinc/23/88/13/139238813.db2.gz UUBIXSUBQHMTSY-BYCMXARLSA-N 2 0 332.835 1.907 20 0 EDADRP C[C@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262109374 139251586 /nfs/dbraw/zinc/25/15/86/139251586.db2.gz FHEUTJKVSHMXLX-HZPDHXFCSA-N 2 0 333.480 1.198 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262129588 139253419 /nfs/dbraw/zinc/25/34/19/139253419.db2.gz GKEHTBKEZXIQNX-IRXDYDNUSA-N 2 0 337.508 1.855 20 0 EDADRP COc1cccc(Cl)c1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000262137586 139254103 /nfs/dbraw/zinc/25/41/03/139254103.db2.gz MDIOMAMGSCUEEH-LBPRGKRZSA-N 2 0 325.840 1.636 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262303535 139268376 /nfs/dbraw/zinc/26/83/76/139268376.db2.gz BVWKGVPNNMXFLK-INIZCTEOSA-N 2 0 349.500 1.861 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000416790592 251109917 /nfs/dbraw/zinc/10/99/17/251109917.db2.gz MYSZYCOPWLSAEV-HZPDHXFCSA-N 2 0 326.485 1.256 20 0 EDADRP C[N@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000417004481 251126458 /nfs/dbraw/zinc/12/64/58/251126458.db2.gz CIXVGLRFMSTOEG-INIZCTEOSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000417175045 251143998 /nfs/dbraw/zinc/14/39/98/251143998.db2.gz ANJPXBRFBSPOPZ-CRAIPNDOSA-N 2 0 332.492 1.928 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(C[NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417306831 251154975 /nfs/dbraw/zinc/15/49/75/251154975.db2.gz AVABQJLUVXKHQE-HNNXBMFYSA-N 2 0 330.476 1.814 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccco1 ZINC000417314096 251155543 /nfs/dbraw/zinc/15/55/43/251155543.db2.gz QOUVUNRBHHEAOQ-RYUDHWBXSA-N 2 0 332.395 1.944 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000417319020 251158175 /nfs/dbraw/zinc/15/81/75/251158175.db2.gz MVWQMEZDWAAZRF-SFHVURJKSA-N 2 0 348.491 1.576 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@H](C)[C@H]([NH3+])C1)c1ccccc1 ZINC000417518866 251182304 /nfs/dbraw/zinc/18/23/04/251182304.db2.gz TXXUXIWQKCQZBD-JQHSSLGASA-N 2 0 348.491 1.685 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[C@H]2CCC[NH2+]C2)CC1 ZINC000417543365 251185569 /nfs/dbraw/zinc/18/55/69/251185569.db2.gz GAEBLFJHHYITPO-OAHLLOKOSA-N 2 0 340.512 1.565 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000417439716 251174067 /nfs/dbraw/zinc/17/40/67/251174067.db2.gz MRQXCMWLYAPJKF-KRWDZBQOSA-N 2 0 326.485 1.176 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000417646866 251212313 /nfs/dbraw/zinc/21/23/13/251212313.db2.gz DSVPLCGUFBIFDE-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccccc1 ZINC000417617710 251206848 /nfs/dbraw/zinc/20/68/48/251206848.db2.gz CJMFHJBJLZZLFQ-NVXWUHKLSA-N 2 0 348.491 1.875 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccccc1 ZINC000417617556 251206997 /nfs/dbraw/zinc/20/69/97/251206997.db2.gz CBLOWGLAIGNIHR-RDJZCZTQSA-N 2 0 348.491 1.794 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262453667 139279996 /nfs/dbraw/zinc/27/99/96/139279996.db2.gz UYLOQALSVBLKAL-DDBAPUKQSA-N 2 0 331.460 1.221 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417731452 251247310 /nfs/dbraw/zinc/24/73/10/251247310.db2.gz FPVUHBDAZUMQJT-HNNXBMFYSA-N 2 0 332.492 1.902 20 0 EDADRP C[NH+](C)C1(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000417738774 251250831 /nfs/dbraw/zinc/25/08/31/251250831.db2.gz PNXYAULUZNWLSF-SFHVURJKSA-N 2 0 342.487 1.622 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000417840436 251293325 /nfs/dbraw/zinc/29/33/25/251293325.db2.gz OHYFFTQMCQCPSE-ABHNRTSZSA-N 2 0 348.466 1.201 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CCSC1 ZINC000417809071 251279095 /nfs/dbraw/zinc/27/90/95/251279095.db2.gz ATCBUTMYIALCEF-NVXWUHKLSA-N 2 0 340.537 1.455 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@@H](C[NH3+])C1 ZINC000418105076 251322749 /nfs/dbraw/zinc/32/27/49/251322749.db2.gz YZPMYLWTOQMWQZ-RBSFLKMASA-N 2 0 326.485 1.255 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000417847679 251296313 /nfs/dbraw/zinc/29/63/13/251296313.db2.gz KGFKBUSRNCCIFJ-OAHLLOKOSA-N 2 0 348.491 1.298 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000418201815 251356073 /nfs/dbraw/zinc/35/60/73/251356073.db2.gz SPTYAKZSOFIHBG-RDJZCZTQSA-N 2 0 333.480 1.858 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CCC[NH2+]1 ZINC000418349007 251362411 /nfs/dbraw/zinc/36/24/11/251362411.db2.gz JUSUONIABXMMHT-HKUYNNGSSA-N 2 0 348.491 1.878 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418721182 251397414 /nfs/dbraw/zinc/39/74/14/251397414.db2.gz LXQYUUTZUGXOAX-HUUCEWRRSA-N 2 0 347.463 1.439 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418687282 251386681 /nfs/dbraw/zinc/38/66/81/251386681.db2.gz RBAGWLSWFKHUDF-ULQDDVLXSA-N 2 0 340.512 1.144 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000262623438 139290794 /nfs/dbraw/zinc/29/07/94/139290794.db2.gz ADDBUPJHOJIVJM-LJQANCHMSA-N 2 0 338.455 1.732 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000262676981 139295643 /nfs/dbraw/zinc/29/56/43/139295643.db2.gz STFCVYUDRQLQQJ-CVEARBPZSA-N 2 0 344.459 1.578 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262788453 139303658 /nfs/dbraw/zinc/30/36/58/139303658.db2.gz NXPPZZSYKLRQBS-PMPSAXMXSA-N 2 0 331.464 1.506 20 0 EDADRP C[C@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153102015 224057991 /nfs/dbraw/zinc/05/79/91/224057991.db2.gz OBLFLFPTWTUGOD-HNNXBMFYSA-N 2 0 349.475 1.560 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)CC1 ZINC000422884019 252009529 /nfs/dbraw/zinc/00/95/29/252009529.db2.gz RIANRLSEGIDEGV-UHFFFAOYSA-N 2 0 344.503 1.681 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422900905 252016471 /nfs/dbraw/zinc/01/64/71/252016471.db2.gz KHNGXKFBCATKGJ-DOTOQJQBSA-N 2 0 339.505 1.933 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898924 252016833 /nfs/dbraw/zinc/01/68/33/252016833.db2.gz NHOBJSWPVILIPO-DLBZAZTESA-N 2 0 335.448 1.010 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000422857136 252002449 /nfs/dbraw/zinc/00/24/49/252002449.db2.gz GZSHDYYKLYXNJE-QGZVKYPTSA-N 2 0 346.519 1.539 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NC[C@@H]2CCCO2)c1 ZINC000422908409 252018714 /nfs/dbraw/zinc/01/87/14/252018714.db2.gz YLNCWVKFDQVPQO-BZSNNMDCSA-N 2 0 331.460 1.812 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422911336 252019797 /nfs/dbraw/zinc/01/97/97/252019797.db2.gz KLKXOBXIKURFQU-MJGOQNOKSA-N 2 0 344.503 1.832 20 0 EDADRP CC(=O)N1CCN(Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2)CC1 ZINC000423842702 252089111 /nfs/dbraw/zinc/08/91/11/252089111.db2.gz LSVDHHSWYJIQIA-UONOGXRCSA-N 2 0 332.448 1.273 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3C[NH2+]CCO3)c2)CC1 ZINC000423856712 252094772 /nfs/dbraw/zinc/09/47/72/252094772.db2.gz XXWGZUYEDCNROE-SFHVURJKSA-N 2 0 331.460 1.888 20 0 EDADRP [NH3+]C[C@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000424027773 252119268 /nfs/dbraw/zinc/11/92/68/252119268.db2.gz MXGVWUNBGFZDBH-XYJFISCASA-N 2 0 345.393 1.960 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC4(CC[NH2+]4)CC3)cc2)CC1 ZINC000424051157 252125576 /nfs/dbraw/zinc/12/55/76/252125576.db2.gz IBOLNHFNDPAUCH-UHFFFAOYSA-N 2 0 342.487 1.402 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424132960 252136285 /nfs/dbraw/zinc/13/62/85/252136285.db2.gz LNGQWROAQDFFHA-BMFZPTHFSA-N 2 0 331.464 1.244 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@@H+]1C[C@@H](C)O ZINC000424440442 252231970 /nfs/dbraw/zinc/23/19/70/252231970.db2.gz UNWRFFNQMRZZBZ-PBHICJAKSA-N 2 0 334.464 1.763 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1 ZINC000349938966 285058385 /nfs/dbraw/zinc/05/83/85/285058385.db2.gz VSZPYYNYRURAHU-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000349933636 285059007 /nfs/dbraw/zinc/05/90/07/285059007.db2.gz LUBIPIHZNORTBK-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000263197782 139327886 /nfs/dbraw/zinc/32/78/86/139327886.db2.gz IPZHJXZNCRTGCO-TZMCWYRMSA-N 2 0 340.349 1.561 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000248438651 285202141 /nfs/dbraw/zinc/20/21/41/285202141.db2.gz HZYGHIKGHLNVKP-MOPGFXCFSA-N 2 0 345.487 1.744 20 0 EDADRP OC1(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693830 285238430 /nfs/dbraw/zinc/23/84/30/285238430.db2.gz UZOHQPGOSUEHNR-OALUTQOASA-N 2 0 330.472 1.982 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000495334781 255281411 /nfs/dbraw/zinc/28/14/11/255281411.db2.gz BONFJROAYNYOMH-ZBFHGGJFSA-N 2 0 327.388 1.506 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)[C@@H](C)NC(=O)OC(C)(C)C ZINC000496306951 255378444 /nfs/dbraw/zinc/37/84/44/255378444.db2.gz KNSNIBNQADYUQG-MGPQQGTHSA-N 2 0 341.500 1.886 20 0 EDADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)CC1 ZINC000496242792 255369552 /nfs/dbraw/zinc/36/95/52/255369552.db2.gz HCVAOXAHBSRPJV-XJKSGUPXSA-N 2 0 327.469 1.288 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1c(C)nn(C)c1C ZINC000337568375 285276555 /nfs/dbraw/zinc/27/65/55/285276555.db2.gz BGMKXMFEAKQTET-KRWDZBQOSA-N 2 0 349.523 1.454 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000179708766 285316088 /nfs/dbraw/zinc/31/60/88/285316088.db2.gz RXUBXJCHYIQZPG-GOSISDBHSA-N 2 0 346.519 1.651 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000119097098 221243345 /nfs/dbraw/zinc/24/33/45/221243345.db2.gz NQOVFTYSCVDQQC-YJBOKZPZSA-N 2 0 342.487 1.969 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(N3C[C@H]([NH+]4CCCC4)C[C@H]3C)C2)CC1 ZINC000377017420 285334526 /nfs/dbraw/zinc/33/45/26/285334526.db2.gz WWPCJMPRETWNPA-GUDVDZBRSA-N 2 0 335.540 1.172 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000264255739 139390533 /nfs/dbraw/zinc/39/05/33/139390533.db2.gz KSZJWUNGNYEHHD-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP Cc1cccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000264277175 139392710 /nfs/dbraw/zinc/39/27/10/139392710.db2.gz DUOPLDMGFKMABY-MRXNPFEDSA-N 2 0 333.476 1.958 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000415870328 304283162 /nfs/dbraw/zinc/28/31/62/304283162.db2.gz OXSIGQFVXNLKGR-QGZVFWFLSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)C1 ZINC000415879524 304283604 /nfs/dbraw/zinc/28/36/04/304283604.db2.gz POUINFJVDVIPTH-CQSZACIVSA-N 2 0 332.448 1.274 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000415928520 304286061 /nfs/dbraw/zinc/28/60/61/304286061.db2.gz FQTRMZDFYIOAJO-KRWDZBQOSA-N 2 0 334.464 1.764 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@H](NC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000271398690 140290595 /nfs/dbraw/zinc/29/05/95/140290595.db2.gz VHOBVTXUSXGLIK-INIZCTEOSA-N 2 0 345.491 1.460 20 0 EDADRP COc1cc(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)ccc1OCC[NH+](C)C ZINC000416334698 304310706 /nfs/dbraw/zinc/31/07/06/304310706.db2.gz RGFOWDUGMROJAT-ZFWWWQNUSA-N 2 0 335.448 1.772 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000333542512 141334001 /nfs/dbraw/zinc/33/40/01/141334001.db2.gz ODRXBDCLSMYWKE-IKGGRYGDSA-N 2 0 338.496 1.271 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[NH2+][C@H]3C)CC2)c1 ZINC000333732442 141368550 /nfs/dbraw/zinc/36/85/50/141368550.db2.gz WIJNSKNHEUTOAD-ZFWWWQNUSA-N 2 0 333.436 1.062 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333801678 141384327 /nfs/dbraw/zinc/38/43/27/141384327.db2.gz HVYLTSOGOBZJMV-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(c2cncc(N3CC[C@@H](C[NH+](C)C)C3)n2)C1 ZINC000338690446 141861804 /nfs/dbraw/zinc/86/18/04/141861804.db2.gz XBEZXMZIPSBPSC-HOTGVXAUSA-N 2 0 332.496 1.252 20 0 EDADRP O[C@@H](CNCc1cnn2ccccc12)C[N@@H+]1CCc2ccccc2C1 ZINC000339545268 142072649 /nfs/dbraw/zinc/07/26/49/142072649.db2.gz IACUMACTETZNHX-IBGZPJMESA-N 2 0 336.439 1.843 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000339742852 142141278 /nfs/dbraw/zinc/14/12/78/142141278.db2.gz LMSKEQOZUJAVQP-HNNXBMFYSA-N 2 0 348.491 1.211 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000345307638 143076030 /nfs/dbraw/zinc/07/60/30/143076030.db2.gz ALHLWQCMNKEPIG-JKSUJKDBSA-N 2 0 328.501 1.205 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000345322866 143077791 /nfs/dbraw/zinc/07/77/91/143077791.db2.gz RUOGUONALPMPBX-UHFFFAOYSA-N 2 0 346.519 1.999 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000345690725 143121932 /nfs/dbraw/zinc/12/19/32/143121932.db2.gz CEGSKCMWRRFLRI-ZDUSSCGKSA-N 2 0 326.391 1.668 20 0 EDADRP CC[C@@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000345694595 143122379 /nfs/dbraw/zinc/12/23/79/143122379.db2.gz ACMXYMZJCLXDFZ-GJZGRUSLSA-N 2 0 325.403 1.922 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346211177 143179250 /nfs/dbraw/zinc/17/92/50/143179250.db2.gz BSSQOJPFNQVYIW-CVEARBPZSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[NH+](C)C)cc1 ZINC000346282822 143186664 /nfs/dbraw/zinc/18/66/64/143186664.db2.gz NAZXHBFKHRGXDP-ZWKOTPCHSA-N 2 0 333.476 1.823 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](CCC[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000346615330 143222344 /nfs/dbraw/zinc/22/23/44/143222344.db2.gz JDHSFHZBXGFIJH-TUVASFSCSA-N 2 0 326.437 1.143 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1C ZINC000347112804 143284122 /nfs/dbraw/zinc/28/41/22/143284122.db2.gz RUTYSNIXGHEGEW-QGZVFWFLSA-N 2 0 331.460 1.647 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c(OC)c1 ZINC000347160175 143289256 /nfs/dbraw/zinc/28/92/56/143289256.db2.gz GUCNYJNFAUUHBQ-MRXNPFEDSA-N 2 0 347.459 1.348 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000347668375 143347464 /nfs/dbraw/zinc/34/74/64/143347464.db2.gz CUKFCHPUOXBNQO-DLBZAZTESA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000350915851 143558619 /nfs/dbraw/zinc/55/86/19/143558619.db2.gz BYUHNUGPQZLJFX-UHFFFAOYSA-N 2 0 332.448 1.388 20 0 EDADRP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000572751239 306598603 /nfs/dbraw/zinc/59/86/03/306598603.db2.gz AXRUKZQRYFAUKP-PXNSSMCTSA-N 2 0 333.520 1.939 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416843809 304350982 /nfs/dbraw/zinc/35/09/82/304350982.db2.gz PIKBUWNRNRGVEF-BZSNNMDCSA-N 2 0 330.476 1.410 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000416843001 304351083 /nfs/dbraw/zinc/35/10/83/304351083.db2.gz OFLJBRRCFZBJFZ-KZNAEPCWSA-N 2 0 328.460 1.512 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416841686 304350635 /nfs/dbraw/zinc/35/06/35/304350635.db2.gz MIJHYFQZPLKDGR-KRWDZBQOSA-N 2 0 347.507 1.231 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C[NH3+])CC(C)C)[C@@H](C)C1 ZINC000417669632 286060544 /nfs/dbraw/zinc/06/05/44/286060544.db2.gz MIZVSRGOYKMADO-BBWFWOEESA-N 2 0 342.528 1.796 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCO[C@H](C)C3)CC2)C1 ZINC000352691094 149118315 /nfs/dbraw/zinc/11/83/15/149118315.db2.gz IRHLXZMAOFIXGP-GUDVDZBRSA-N 2 0 339.524 1.528 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H](C)C[N@@H+]1C ZINC000352780199 149162910 /nfs/dbraw/zinc/16/29/10/149162910.db2.gz OEAAOEZPNQNRQR-MSOLQXFVSA-N 2 0 344.503 1.750 20 0 EDADRP C[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)[NH+]1CCc2ccccc2C1 ZINC000353415447 149396278 /nfs/dbraw/zinc/39/62/78/149396278.db2.gz PIPDNDRURIICTO-QGZVFWFLSA-N 2 0 342.487 1.994 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@H]1[NH3+] ZINC000416972832 304358385 /nfs/dbraw/zinc/35/83/85/304358385.db2.gz ISZBPNIJVXLRAS-CRAIPNDOSA-N 2 0 330.476 1.682 20 0 EDADRP C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000416979756 304360378 /nfs/dbraw/zinc/36/03/78/304360378.db2.gz XJWTTXLREPAHJX-GJZGRUSLSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCCOC1 ZINC000355039593 150087272 /nfs/dbraw/zinc/08/72/72/150087272.db2.gz AYVXUSYJNJXSMV-CGTJXYLNSA-N 2 0 333.476 1.810 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000355413647 150258292 /nfs/dbraw/zinc/25/82/92/150258292.db2.gz FNGNLCUAFQULPT-MRXNPFEDSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)c3cc(CN(C)C)on3)CC2)CCO1 ZINC000355612933 150335983 /nfs/dbraw/zinc/33/59/83/150335983.db2.gz VWHNKGSQQTXQLO-ZDUSSCGKSA-N 2 0 336.436 1.062 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000355658476 150352828 /nfs/dbraw/zinc/35/28/28/150352828.db2.gz KVBVMAPLBMNVCK-LSDHHAIUSA-N 2 0 348.491 1.865 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417037023 304363942 /nfs/dbraw/zinc/36/39/42/304363942.db2.gz ICQUMKNYJYWCOT-SFHVURJKSA-N 2 0 347.507 1.403 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000417038030 304364565 /nfs/dbraw/zinc/36/45/65/304364565.db2.gz UHWNQLVJEVQEAU-MOPGFXCFSA-N 2 0 342.487 1.686 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@H](C)N1CCN(c2ccccc2)CC1 ZINC000417042329 304365300 /nfs/dbraw/zinc/36/53/00/304365300.db2.gz NRYASKMJZVBZEO-HOTGVXAUSA-N 2 0 333.480 1.104 20 0 EDADRP COC[C@]1(CNC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000417045073 304365989 /nfs/dbraw/zinc/36/59/89/304365989.db2.gz YUXAAEFUICQXQN-JFIYKMOQSA-N 2 0 340.512 1.422 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417050398 304367046 /nfs/dbraw/zinc/36/70/46/304367046.db2.gz WXWYEALGMIBYOI-DLBZAZTESA-N 2 0 339.528 1.315 20 0 EDADRP CN(C(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000573805871 306635270 /nfs/dbraw/zinc/63/52/70/306635270.db2.gz SRWVXBQHEVIQGL-AEFFLSMTSA-N 2 0 347.507 1.714 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000357696016 151118197 /nfs/dbraw/zinc/11/81/97/151118197.db2.gz LGNPVMNPXCQGHO-HNNXBMFYSA-N 2 0 334.464 1.906 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000357773714 151147728 /nfs/dbraw/zinc/14/77/28/151147728.db2.gz HUEXZVTVWKTFHA-XHSDSOJGSA-N 2 0 328.501 1.515 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000357959299 151211147 /nfs/dbraw/zinc/21/11/47/151211147.db2.gz PBAVMBLGTFNIJC-HZPDHXFCSA-N 2 0 327.517 1.042 20 0 EDADRP O=C(CCN1CC[C@@H](C[NH+]2CCCC2)C1)NCC(=O)c1ccccc1 ZINC000358034906 151242021 /nfs/dbraw/zinc/24/20/21/151242021.db2.gz MUUDZIPFPLPMAI-KRWDZBQOSA-N 2 0 343.471 1.793 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358135938 151285103 /nfs/dbraw/zinc/28/51/03/151285103.db2.gz KWHIWFRPXROGNZ-INIZCTEOSA-N 2 0 342.528 1.904 20 0 EDADRP CSC1(CNC(=O)N(C)CC2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000358329677 151339308 /nfs/dbraw/zinc/33/93/08/151339308.db2.gz ZMJMCRMISUSFCS-UHFFFAOYSA-N 2 0 342.553 1.797 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000417106180 304372993 /nfs/dbraw/zinc/37/29/93/304372993.db2.gz HLMQUHXFZSDVOJ-CQSZACIVSA-N 2 0 326.510 1.351 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCSC1 ZINC000360743739 152180141 /nfs/dbraw/zinc/18/01/41/152180141.db2.gz GHPHDTQFTZCWIJ-RDJZCZTQSA-N 2 0 340.537 1.694 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000360795685 152208403 /nfs/dbraw/zinc/20/84/03/152208403.db2.gz FDLJGIIYINAONU-QGZVFWFLSA-N 2 0 342.528 1.859 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000360795687 152208617 /nfs/dbraw/zinc/20/86/17/152208617.db2.gz FDUMBIYUXOJJOK-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361081768 152297895 /nfs/dbraw/zinc/29/78/95/152297895.db2.gz SHACAYLRLYYSQG-SJORKVTESA-N 2 0 335.492 1.526 20 0 EDADRP COC[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C(C)C ZINC000361112224 152308895 /nfs/dbraw/zinc/30/88/95/152308895.db2.gz XBGXEJQMBIHUCH-KRWDZBQOSA-N 2 0 335.496 1.639 20 0 EDADRP O=C(NCCCCNc1ccccn1)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361289696 152354132 /nfs/dbraw/zinc/35/41/32/152354132.db2.gz WMPHUOSCJMCYLO-HZPDHXFCSA-N 2 0 347.463 1.436 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000362772200 152809537 /nfs/dbraw/zinc/80/95/37/152809537.db2.gz DYTJSIYPPYSUAU-LPHOPBHVSA-N 2 0 345.487 1.975 20 0 EDADRP COC1CCC([NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)CC1 ZINC000363860473 153077602 /nfs/dbraw/zinc/07/76/02/153077602.db2.gz LNEWSKRKUSAIIL-UHFFFAOYSA-N 2 0 349.523 1.918 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@]2(F)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000364866747 286357430 /nfs/dbraw/zinc/35/74/30/286357430.db2.gz AVIQPIYHKQVAJU-AEFFLSMTSA-N 2 0 335.423 1.650 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2C[NH+]3CCC[C@@H]3CO2)C1 ZINC000364176634 153163618 /nfs/dbraw/zinc/16/36/18/153163618.db2.gz XFUHEGQKAXRSOD-ZACQAIPSSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1CCCC1CCOCC1 ZINC000364244655 153185189 /nfs/dbraw/zinc/18/51/89/153185189.db2.gz ZELDLYLYVYVOCE-HKUYNNGSSA-N 2 0 339.524 1.530 20 0 EDADRP Cc1nc(CN2CCCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)cs1 ZINC000367369605 154091210 /nfs/dbraw/zinc/09/12/10/154091210.db2.gz FUMQQMPTRAVWIY-CZUORRHYSA-N 2 0 336.505 1.874 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1(C)C ZINC000367380627 154095764 /nfs/dbraw/zinc/09/57/64/154095764.db2.gz BFKNKMOJGAOEGL-KDOFPFPSSA-N 2 0 335.423 1.942 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCc4n[nH]cc43)ccn2)CC1 ZINC000367587851 154189927 /nfs/dbraw/zinc/18/99/27/154189927.db2.gz KIBJFIZTESPBLX-INIZCTEOSA-N 2 0 326.448 1.724 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](CO)c1cccnc1 ZINC000367906713 154321417 /nfs/dbraw/zinc/32/14/17/154321417.db2.gz YXPGABKXORLUSG-YSHGAJCASA-N 2 0 333.476 1.637 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369506629 155063842 /nfs/dbraw/zinc/06/38/42/155063842.db2.gz IMCBLEANDJSNDA-QGZVFWFLSA-N 2 0 347.507 1.973 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000417381399 304395915 /nfs/dbraw/zinc/39/59/15/304395915.db2.gz ILLHHRJEFLTEQM-UHFFFAOYSA-N 2 0 339.528 1.362 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CNC[C@](C)(O)C[NH+](C)C)sc2C1 ZINC000371707672 156070503 /nfs/dbraw/zinc/07/05/03/156070503.db2.gz CRMCPHDWNLYRDT-INIZCTEOSA-N 2 0 326.510 1.312 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(c3c[nH]cn3)CC2)C[C@@H](C)O1 ZINC000371905984 156160670 /nfs/dbraw/zinc/16/06/70/156160670.db2.gz MFKMGVVHZFHDAR-HUUCEWRRSA-N 2 0 349.479 1.798 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417442838 292348879 /nfs/dbraw/zinc/34/88/79/292348879.db2.gz WHJWDMSWJRYPIB-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378203419 158108031 /nfs/dbraw/zinc/10/80/31/158108031.db2.gz QURZIYYAGPLXNO-SJORKVTESA-N 2 0 338.540 1.816 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000378361601 158152547 /nfs/dbraw/zinc/15/25/47/158152547.db2.gz SMKQPYSDLVCFIV-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000352214794 162054770 /nfs/dbraw/zinc/05/47/70/162054770.db2.gz VBJITXBANWTZIA-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000418018553 304447143 /nfs/dbraw/zinc/44/71/43/304447143.db2.gz IVXQTVJXJLCVOK-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000418243301 304469261 /nfs/dbraw/zinc/46/92/61/304469261.db2.gz WESNUHPNCPEZFB-GVDBMIGSSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H](CNC(=O)N[C@H](C)C[NH+]1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000073664438 287262660 /nfs/dbraw/zinc/26/26/60/287262660.db2.gz LLDJCAVHOGERTL-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)CC[NH2+]1 ZINC000261831174 296905709 /nfs/dbraw/zinc/90/57/09/296905709.db2.gz OVDYNUHSBXVIAO-QMTHXVAHSA-N 2 0 326.238 1.443 20 0 EDADRP COC1(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000164909546 226105254 /nfs/dbraw/zinc/10/52/54/226105254.db2.gz SJGCCUZCLRWRLI-INIZCTEOSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)(C)C ZINC000168986213 226230309 /nfs/dbraw/zinc/23/03/09/226230309.db2.gz NPLXKQWNBPJEMS-HNNXBMFYSA-N 2 0 336.484 1.299 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cc(F)c(F)cc1F ZINC000127755191 287444045 /nfs/dbraw/zinc/44/40/45/287444045.db2.gz UALSMXXWMZKAOY-UHFFFAOYSA-N 2 0 331.382 1.598 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000122062687 222005786 /nfs/dbraw/zinc/00/57/86/222005786.db2.gz BECCIAGZHPTTAV-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418456503 304497419 /nfs/dbraw/zinc/49/74/19/304497419.db2.gz SWLOYJALNYFDKJ-GOSISDBHSA-N 2 0 341.459 1.855 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268804856 273022205 /nfs/dbraw/zinc/02/22/05/273022205.db2.gz KMNDCSPZWLFRCO-WSTZPKSXSA-N 4 0 345.535 1.912 20 0 EDADRP Cc1ccc(NC(=O)[C@H]2CCC[N@@H+]2C)cc1NC(=O)CC[NH+](C)C ZINC000274397488 268135524 /nfs/dbraw/zinc/13/55/24/268135524.db2.gz JOBXBCBFZRXSIT-MRXNPFEDSA-N 2 0 332.448 1.918 20 0 EDADRP COc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc2c1OCO2 ZINC000274568953 268160827 /nfs/dbraw/zinc/16/08/27/268160827.db2.gz ILJRRWNXVBJPMG-AWEZNQCLSA-N 2 0 335.448 1.540 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000275501953 268352211 /nfs/dbraw/zinc/35/22/11/268352211.db2.gz AFQZRIJUQBKALC-CVEARBPZSA-N 2 0 348.495 1.423 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000276705145 268463941 /nfs/dbraw/zinc/46/39/41/268463941.db2.gz WBAJMIZUDKRKJE-INIZCTEOSA-N 2 0 327.472 1.933 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000177545804 272941343 /nfs/dbraw/zinc/94/13/43/272941343.db2.gz ZDPDYBKQPYUDOY-SJORKVTESA-N 2 0 345.491 1.436 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000186661829 272946244 /nfs/dbraw/zinc/94/62/44/272946244.db2.gz PVURAJAUCMXSHM-MAUKXSAKSA-N 2 0 330.476 1.556 20 0 EDADRP CO[C@@]1(C)CCC[N@H+](CC(=O)N2CCN(Cc3ccccc3)CC2)C1 ZINC000279223313 273285534 /nfs/dbraw/zinc/28/55/34/273285534.db2.gz DASRDYWKUSSQPM-FQEVSTJZSA-N 2 0 345.487 1.832 20 0 EDADRP COCCN1CC[C@H]([NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000283900670 274003429 /nfs/dbraw/zinc/00/34/29/274003429.db2.gz HUQHQZLKBDCVJF-SFHVURJKSA-N 2 0 347.503 1.970 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[NH+](C)C ZINC000132484535 275978773 /nfs/dbraw/zinc/97/87/73/275978773.db2.gz TZFLISICMANBNL-IBGZPJMESA-N 2 0 347.503 1.846 20 0 EDADRP CC[NH2+]CCNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318281 276265718 /nfs/dbraw/zinc/26/57/18/276265718.db2.gz OXNNOJFOUVNPGZ-QZTJIDSGSA-N 2 0 330.476 1.759 20 0 EDADRP CC[NH2+]CCNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417020111 276265728 /nfs/dbraw/zinc/26/57/28/276265728.db2.gz MAMYUSRXWULEHR-GOSISDBHSA-N 2 0 347.507 1.274 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000488804230 276329149 /nfs/dbraw/zinc/32/91/49/276329149.db2.gz AXTCAXNJLZLQFQ-MRXNPFEDSA-N 2 0 343.537 1.242 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000352526617 276330990 /nfs/dbraw/zinc/33/09/90/276330990.db2.gz PRWSUHATFWRXSA-OAHLLOKOSA-N 2 0 333.480 1.294 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccnc1 ZINC000263692337 276377950 /nfs/dbraw/zinc/37/79/50/276377950.db2.gz OYMPZOAIYBKLMF-HNNXBMFYSA-N 2 0 340.493 1.118 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271667 277241805 /nfs/dbraw/zinc/24/18/05/277241805.db2.gz UEIQMEXIRCKNSB-QFBILLFUSA-N 2 0 333.476 1.639 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321347 277704066 /nfs/dbraw/zinc/70/40/66/277704066.db2.gz RJZGZGFYMZBHDZ-HZPDHXFCSA-N 2 0 333.480 1.341 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000422879574 277762659 /nfs/dbraw/zinc/76/26/59/277762659.db2.gz MPBSIMRUMRAKOW-CDHAZOANSA-N 2 0 330.432 1.219 20 0 EDADRP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199730 278163318 /nfs/dbraw/zinc/16/33/18/278163318.db2.gz VWZMNLXJTDPNSG-NVXWUHKLSA-N 2 0 336.524 1.297 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000332405906 278226940 /nfs/dbraw/zinc/22/69/40/278226940.db2.gz PDOBLFQVTYNJSI-QSPRXWTASA-N 2 0 338.496 1.276 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000348640368 278341576 /nfs/dbraw/zinc/34/15/76/278341576.db2.gz HLLBQXQIVFOPMG-ZBFHGGJFSA-N 2 0 345.553 1.947 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000362824105 279105664 /nfs/dbraw/zinc/10/56/64/279105664.db2.gz XITBGKZBJXNSES-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000352220675 279108163 /nfs/dbraw/zinc/10/81/63/279108163.db2.gz DCBZMIPBDOBRCT-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[N@@H+]2C[C@H]1C ZINC000352213433 279108361 /nfs/dbraw/zinc/10/83/61/279108361.db2.gz HUEAAIJJNFSGQD-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2CCCN(C(C)C)C2=O)C1 ZINC000361336691 279109814 /nfs/dbraw/zinc/10/98/14/279109814.db2.gz OBUDPFVHIILDJV-IAGOWNOFSA-N 2 0 325.497 1.819 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318297 279370532 /nfs/dbraw/zinc/37/05/32/279370532.db2.gz ZBYDHFFWZSRBQN-MSOLQXFVSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000426238379 288134688 /nfs/dbraw/zinc/13/46/88/288134688.db2.gz OCUCSCKJZWBDJB-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000339762700 279510600 /nfs/dbraw/zinc/51/06/00/279510600.db2.gz WJUCONIKPMEWQH-RTBURBONSA-N 2 0 339.524 1.312 20 0 EDADRP C[C@@H]1C[NH+](CC2(CN3C[C@@H](C)[N@@H+](C)[C@@H](C)C3)COC2)C[C@@H](C)N1C ZINC000339621734 288149124 /nfs/dbraw/zinc/14/91/24/288149124.db2.gz JHUWUVROCHRFFQ-TVFCKZIOSA-N 2 0 338.540 1.052 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000236659175 282070154 /nfs/dbraw/zinc/07/01/54/282070154.db2.gz SMGXHMIIBLCJJP-UHFFFAOYSA-N 2 0 325.497 1.903 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000290074073 288834223 /nfs/dbraw/zinc/83/42/23/288834223.db2.gz GGVLPOKYIUFCFC-MSOLQXFVSA-N 2 0 330.476 1.796 20 0 EDADRP CC(C)[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCOC1 ZINC000291998933 289235811 /nfs/dbraw/zinc/23/58/11/289235811.db2.gz XGOJTYIRHOQQDP-ZWKOTPCHSA-N 2 0 333.476 1.905 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000365136266 289332548 /nfs/dbraw/zinc/33/25/48/289332548.db2.gz JYDCMJNGLMLASY-SQNIBIBYSA-N 2 0 335.492 1.571 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420303304 289352516 /nfs/dbraw/zinc/35/25/16/289352516.db2.gz CRZBAZOUQKOTIB-SJLPKXTDSA-N 3 0 332.492 1.466 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@H]2C1 ZINC000333567179 290150843 /nfs/dbraw/zinc/15/08/43/290150843.db2.gz RLGZBMXPTNIBIK-DJKPWDNTSA-N 2 0 346.519 1.876 20 0 EDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000650742618 452965632 /nfs/dbraw/zinc/96/56/32/452965632.db2.gz AGBKEUJBSFVAJZ-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP CCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](CC)C1 ZINC000664310156 452983826 /nfs/dbraw/zinc/98/38/26/452983826.db2.gz ANUQYWDMEXBLTJ-HOCLYGCPSA-N 2 0 328.526 1.549 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@H](C)[C@H]1CC[NH2+]C1)CC2 ZINC000422771920 295039888 /nfs/dbraw/zinc/03/98/88/295039888.db2.gz WHTRXHOOIDQANR-ZBFHGGJFSA-N 2 0 333.476 1.650 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000418553030 304512275 /nfs/dbraw/zinc/51/22/75/304512275.db2.gz MTZBMJORARFSPQ-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495679571 297411272 /nfs/dbraw/zinc/41/12/72/297411272.db2.gz LKUKVSPANVFEHW-AYBZRNKSSA-N 2 0 348.491 1.419 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[NH+]1CCCCCC1 ZINC000362886928 298163853 /nfs/dbraw/zinc/16/38/53/298163853.db2.gz ZDISRSQKQIHZAV-KURKYZTESA-N 2 0 337.508 1.868 20 0 EDADRP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C[NH+]1CCCC1 ZINC000419375544 304601060 /nfs/dbraw/zinc/60/10/60/304601060.db2.gz NDGRJOQILSJIMO-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965294 298877184 /nfs/dbraw/zinc/87/71/84/298877184.db2.gz FLIFCFZULKEYDM-ILXRZTDVSA-N 2 0 336.446 1.723 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419701761 304666064 /nfs/dbraw/zinc/66/60/64/304666064.db2.gz ALVVYOOEKRMSJL-JYJNAYRXSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000419702230 304666319 /nfs/dbraw/zinc/66/63/19/304666319.db2.gz ASMVZZLUHHHZKY-RDJZCZTQSA-N 2 0 346.475 1.183 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422036237 447319430 /nfs/dbraw/zinc/31/94/30/447319430.db2.gz NCEWZQDRLBAVJM-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000377728421 447319926 /nfs/dbraw/zinc/31/99/26/447319926.db2.gz TZNUGMBRINHVCX-KRWDZBQOSA-N 2 0 329.460 1.428 20 0 EDADRP Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344824294 303028727 /nfs/dbraw/zinc/02/87/27/303028727.db2.gz JBPPMCFIMOSWRH-RHSMWYFYSA-N 2 0 333.480 1.592 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000294737960 303141244 /nfs/dbraw/zinc/14/12/44/303141244.db2.gz CBHPNRPJTOOSKU-IEBWSBKVSA-N 2 0 331.504 1.943 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)cn2ccnc12 ZINC000294907670 303153884 /nfs/dbraw/zinc/15/38/84/303153884.db2.gz WIBVSJUGFWDXEK-UHFFFAOYSA-N 2 0 329.404 1.134 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000297130305 303363148 /nfs/dbraw/zinc/36/31/48/303363148.db2.gz ZGVBJUFXCAVBQM-SFHVURJKSA-N 2 0 333.476 1.642 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)C[NH+]1CCN(C)CC1 ZINC000297300322 303382711 /nfs/dbraw/zinc/38/27/11/303382711.db2.gz QJXYVTQGFSZFNE-HNNXBMFYSA-N 2 0 344.463 1.017 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C(=O)N2CCNC2=O)c1 ZINC000298875959 303564559 /nfs/dbraw/zinc/56/45/59/303564559.db2.gz LYPCJKHYPCPWIP-AWEZNQCLSA-N 2 0 332.448 1.558 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458386815 447338889 /nfs/dbraw/zinc/33/88/89/447338889.db2.gz WVYPKBAMMIGVBV-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP c1ccc(OCc2cccnc2)c(C[NH2+]CCN2CC[NH2+]CC2)c1 ZINC000414874807 447337113 /nfs/dbraw/zinc/33/71/13/447337113.db2.gz ZHSOJFGSGYDAPC-UHFFFAOYSA-N 2 0 326.444 1.655 20 0 EDADRP COc1cc(C[NH2+]C[C@@H](C)C[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000414874065 447337428 /nfs/dbraw/zinc/33/74/28/447337428.db2.gz HYTMVWAVUCKUTR-AWEZNQCLSA-N 2 0 335.448 1.381 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000411631564 303901711 /nfs/dbraw/zinc/90/17/11/303901711.db2.gz MSKPHNUIVACILF-KBAYOESNSA-N 2 0 335.492 1.524 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCNC[C@@](C)(F)C2)c1 ZINC000414882986 447342108 /nfs/dbraw/zinc/34/21/08/447342108.db2.gz MMPAZUOXQQMFTD-QGZVFWFLSA-N 2 0 338.427 1.792 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422999562 304882774 /nfs/dbraw/zinc/88/27/74/304882774.db2.gz SQXHDWKHADTOOJ-GVXVVHGQSA-N 2 0 333.354 1.821 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(CO)CC3(CCC3)C2)CC[NH2+]CC1 ZINC000423090613 304885477 /nfs/dbraw/zinc/88/54/77/304885477.db2.gz VVGGOSLKCIDAFF-OAHLLOKOSA-N 2 0 338.492 1.840 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000423204167 304889335 /nfs/dbraw/zinc/88/93/35/304889335.db2.gz NWLULZFHLZOHIY-CYBMUJFWSA-N 2 0 348.882 1.785 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423273952 304890831 /nfs/dbraw/zinc/89/08/31/304890831.db2.gz LMTIPRTYBCAXSS-DYVFJYSZSA-N 2 0 337.489 1.691 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[NH2+]C1 ZINC000423311764 304892204 /nfs/dbraw/zinc/89/22/04/304892204.db2.gz QMGBUTDBLZLZOJ-HXUWFJFHSA-N 2 0 345.487 1.915 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423334447 304893109 /nfs/dbraw/zinc/89/31/09/304893109.db2.gz OVVSOIVFAUNSHF-CQSZACIVSA-N 2 0 341.477 1.097 20 0 EDADRP COCc1cccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000430603386 305058063 /nfs/dbraw/zinc/05/80/63/305058063.db2.gz YONRFYPJYPTEDQ-UHFFFAOYSA-N 2 0 349.475 1.279 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1)CC(=O)N1CC[NH2+]CC1 ZINC000430624877 305059829 /nfs/dbraw/zinc/05/98/29/305059829.db2.gz IPHSMGALHAVGII-UHFFFAOYSA-N 2 0 338.839 1.032 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000430722976 305063298 /nfs/dbraw/zinc/06/32/98/305063298.db2.gz RGWSSSCJJNLJOP-ZACQAIPSSA-N 2 0 335.492 1.668 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430757373 305064196 /nfs/dbraw/zinc/06/41/96/305064196.db2.gz FUSKKFMQDZIXLR-HZPDHXFCSA-N 2 0 345.487 1.769 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]C1 ZINC000430827936 305065531 /nfs/dbraw/zinc/06/55/31/305065531.db2.gz QCNVQBBFMKGFJM-PKOBYXMFSA-N 2 0 333.476 1.292 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000430876708 305066725 /nfs/dbraw/zinc/06/67/25/305066725.db2.gz GSBCQUYKXIRJLT-FVQBIDKESA-N 2 0 344.459 1.450 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000430952460 305070581 /nfs/dbraw/zinc/07/05/81/305070581.db2.gz ZBMGVDIJWUTSMQ-MRXNPFEDSA-N 2 0 345.491 1.180 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430966736 305071382 /nfs/dbraw/zinc/07/13/82/305071382.db2.gz PLUIWXXEJKVJIS-KGLIPLIRSA-N 2 0 349.475 1.940 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)ccc21 ZINC000431040031 305073528 /nfs/dbraw/zinc/07/35/28/305073528.db2.gz UXMWBHHYMJGULE-MRXNPFEDSA-N 2 0 326.444 1.957 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000432855290 305096356 /nfs/dbraw/zinc/09/63/56/305096356.db2.gz VFQBPVLAJJTHBV-UHFFFAOYSA-N 2 0 325.478 1.463 20 0 EDADRP CCOC(=O)Cc1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433118956 305100929 /nfs/dbraw/zinc/10/09/29/305100929.db2.gz SIRCVIINBMGZAC-UHFFFAOYSA-N 2 0 347.459 1.934 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000433280431 305104674 /nfs/dbraw/zinc/10/46/74/305104674.db2.gz BXUPXGWKGMKDQO-IXDOHACOSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433286091 305104886 /nfs/dbraw/zinc/10/48/86/305104886.db2.gz NADIICFTQUDXNT-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433399435 305107914 /nfs/dbraw/zinc/10/79/14/305107914.db2.gz JDZIRQSRYBNYHG-QLFBSQMISA-N 2 0 334.468 1.147 20 0 EDADRP C[C@@H]1COCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000433456390 305109674 /nfs/dbraw/zinc/10/96/74/305109674.db2.gz LVOSBGZXUPIJNN-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H]([NH3+])CCC(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000434678964 305127399 /nfs/dbraw/zinc/12/73/99/305127399.db2.gz ANSXFAKWZRVDCV-INIZCTEOSA-N 2 0 348.491 1.403 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000435239814 305137805 /nfs/dbraw/zinc/13/78/05/305137805.db2.gz LOMLBVKLVGSUEN-LJQANCHMSA-N 2 0 342.487 1.401 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000437586565 305176903 /nfs/dbraw/zinc/17/69/03/305176903.db2.gz YWVJNCORIWCWGG-UHFFFAOYSA-N 2 0 336.480 1.837 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCn2ccnc2C1 ZINC000440137244 305203391 /nfs/dbraw/zinc/20/33/91/305203391.db2.gz SYGYLCRMRAHBGA-IAGOWNOFSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000446372861 305264055 /nfs/dbraw/zinc/26/40/55/305264055.db2.gz YDZYROPEDVKQKL-PPLBCVRQSA-N 2 0 337.508 1.898 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000449077485 305305929 /nfs/dbraw/zinc/30/59/29/305305929.db2.gz RYIUAXBIJAHHSA-OAHLLOKOSA-N 2 0 333.480 1.796 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449313343 305311112 /nfs/dbraw/zinc/31/11/12/305311112.db2.gz VUQHKDVFEXCSSN-RHSMWYFYSA-N 2 0 346.475 1.552 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000449318498 305311229 /nfs/dbraw/zinc/31/12/29/305311229.db2.gz GRMDBGNHHQMGPN-CRAIPNDOSA-N 2 0 333.476 1.879 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451472077 305348633 /nfs/dbraw/zinc/34/86/33/305348633.db2.gz JSPNMHQQZGEOAE-IAGOWNOFSA-N 2 0 335.492 1.667 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000491873817 305579632 /nfs/dbraw/zinc/57/96/32/305579632.db2.gz USZXSRZCEHNSQB-QPJJXVBHSA-N 2 0 344.459 1.440 20 0 EDADRP C[C@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)[NH+]1CCCC1 ZINC000496438150 305668471 /nfs/dbraw/zinc/66/84/71/305668471.db2.gz MAGQXYKYZKWTDD-CQSZACIVSA-N 2 0 339.484 1.548 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000414918491 447356145 /nfs/dbraw/zinc/35/61/45/447356145.db2.gz UOYUVXLPJKDYLQ-HNNXBMFYSA-N 2 0 337.489 1.347 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000518348936 305760996 /nfs/dbraw/zinc/76/09/96/305760996.db2.gz HBOAEZWAVMTBQW-ROUUACIJSA-N 2 0 343.471 1.570 20 0 EDADRP COC[C@@]1(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CCC[NH2+]1 ZINC000414934781 447363571 /nfs/dbraw/zinc/36/35/71/447363571.db2.gz AJIAHGFFUPMMIH-SFHVURJKSA-N 2 0 325.497 1.772 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1C ZINC000414937096 447363890 /nfs/dbraw/zinc/36/38/90/447363890.db2.gz HKYIUGXGGZEEHG-YOEHRIQHSA-N 2 0 346.475 1.676 20 0 EDADRP CC(C)[C@@H]1C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000541049365 306043629 /nfs/dbraw/zinc/04/36/29/306043629.db2.gz OHRLVWGLFXQXDO-SJORKVTESA-N 2 0 327.513 1.780 20 0 EDADRP CCC[NH+]1CCC([NH2+]CC2CCN(S(=O)(=O)CC)CC2)CC1 ZINC000543626894 306066095 /nfs/dbraw/zinc/06/60/95/306066095.db2.gz KVGIWTUMVVDERH-UHFFFAOYSA-N 2 0 331.526 1.512 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000546019576 306089942 /nfs/dbraw/zinc/08/99/42/306089942.db2.gz ANHCZTAFEQHYMR-UHFFFAOYSA-N 2 0 346.523 1.583 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)CC1 ZINC000546148187 306091493 /nfs/dbraw/zinc/09/14/93/306091493.db2.gz URYNXXMXSQEZHL-OALUTQOASA-N 2 0 348.535 1.488 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H](C)O1 ZINC000552215572 306177780 /nfs/dbraw/zinc/17/77/80/306177780.db2.gz XRSQEOGSWKNIQV-IIAWOOMASA-N 2 0 327.513 1.355 20 0 EDADRP O=C(c1cc2ccccc2[nH]1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000557335267 306227572 /nfs/dbraw/zinc/22/75/72/306227572.db2.gz JGYIPSCGZIODKB-OAHLLOKOSA-N 2 0 326.444 1.925 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419732235 447379573 /nfs/dbraw/zinc/37/95/73/447379573.db2.gz SEJSCQXJYPYHAB-HNNXBMFYSA-N 2 0 346.475 1.006 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377909384 447387921 /nfs/dbraw/zinc/38/79/21/447387921.db2.gz IIGPIPLENZOMNR-QGZVFWFLSA-N 2 0 334.508 1.243 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000419806629 447425415 /nfs/dbraw/zinc/42/54/15/447425415.db2.gz COZWOLVKNFCXSW-RRQGHBQHSA-N 2 0 344.459 1.066 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419811013 447427855 /nfs/dbraw/zinc/42/78/55/447427855.db2.gz INSNKOYGJSIKHU-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000415435395 447436605 /nfs/dbraw/zinc/43/66/05/447436605.db2.gz JJYNSIFWEHPNAI-HIFRSBDPSA-N 2 0 332.448 1.273 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)Cc1ccccc1 ZINC000070828146 441122800 /nfs/dbraw/zinc/12/28/00/441122800.db2.gz QGTBKXKYNLQHPQ-UHFFFAOYSA-N 2 0 341.521 1.722 20 0 EDADRP CC(=O)N1CCc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc21 ZINC000103211193 441177349 /nfs/dbraw/zinc/17/73/49/441177349.db2.gz TZNCBIYJFWHPIL-UHFFFAOYSA-N 2 0 346.475 1.161 20 0 EDADRP COc1ccccc1[C@@H]1C[C@H]1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213335 441177789 /nfs/dbraw/zinc/17/77/89/441177789.db2.gz FEZCQFRANICFNS-DLBZAZTESA-N 2 0 333.476 1.751 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccn2)CC1)NCCC[NH+]1CCCC1 ZINC000072816934 441262311 /nfs/dbraw/zinc/26/23/11/441262311.db2.gz YOLLHQMFFALECM-UHFFFAOYSA-N 2 0 345.491 1.196 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)c2)CC1 ZINC000073074588 441291162 /nfs/dbraw/zinc/29/11/62/441291162.db2.gz RUVKNBZUKLCBAM-GOSISDBHSA-N 2 0 342.487 1.401 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000074498946 441440562 /nfs/dbraw/zinc/44/05/62/441440562.db2.gz KBTLWEMKZKIEQS-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000052589834 441462973 /nfs/dbraw/zinc/46/29/73/441462973.db2.gz SPAQGLJFIVMTHA-GOSISDBHSA-N 2 0 330.476 1.998 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108561226 441464851 /nfs/dbraw/zinc/46/48/51/441464851.db2.gz XVVIKWDMFNJAAQ-RBUKOAKNSA-N 2 0 344.503 1.943 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1)[NH+](C)C ZINC000089344640 441539499 /nfs/dbraw/zinc/53/94/99/441539499.db2.gz GLULHPKBVAYRLJ-KRWDZBQOSA-N 2 0 339.524 1.848 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2nccnc2c1 ZINC000112913316 441566753 /nfs/dbraw/zinc/56/67/53/441566753.db2.gz UKDJRQGHQLRHAH-UHFFFAOYSA-N 2 0 343.475 1.975 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000067686616 441666869 /nfs/dbraw/zinc/66/68/69/441666869.db2.gz XFOKVZBDRAGFCU-INIZCTEOSA-N 2 0 331.464 1.644 20 0 EDADRP CCOC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000114485462 441663310 /nfs/dbraw/zinc/66/33/10/441663310.db2.gz XSNLOTQVVHLQPE-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000173408041 441737554 /nfs/dbraw/zinc/73/75/54/441737554.db2.gz DQTZMMAPRSYNMZ-DLBZAZTESA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000173489392 441768326 /nfs/dbraw/zinc/76/83/26/441768326.db2.gz UACRPYLCOCGYCF-IXDOHACOSA-N 2 0 340.512 1.467 20 0 EDADRP CCCCNC(=O)CC[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000116388896 441816908 /nfs/dbraw/zinc/81/69/08/441816908.db2.gz JSARAYKIRQJVQZ-QZTJIDSGSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C(C)(C)C ZINC000116552240 441829428 /nfs/dbraw/zinc/82/94/28/441829428.db2.gz FMYUICVYFJNFGW-HNNXBMFYSA-N 2 0 342.528 1.763 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000092923881 441841593 /nfs/dbraw/zinc/84/15/93/441841593.db2.gz GCERDWQQKYUAPV-HIFRSBDPSA-N 2 0 339.447 1.698 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124459549 441929127 /nfs/dbraw/zinc/92/91/27/441929127.db2.gz QZGIRONEBFKKCO-ILZDJORESA-N 2 0 345.487 1.612 20 0 EDADRP CC[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000119747969 441950413 /nfs/dbraw/zinc/95/04/13/441950413.db2.gz LHPPFMQTDPVYCO-HXUWFJFHSA-N 2 0 344.503 1.310 20 0 EDADRP CC[C@@H](C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1)[NH+](C)C ZINC000124763991 441950918 /nfs/dbraw/zinc/95/09/18/441950918.db2.gz NGWYUFCPRFIFGM-IBGZPJMESA-N 2 0 346.519 1.964 20 0 EDADRP Cc1ccc(S(=O)(=O)NCCN(C)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000125290804 442005828 /nfs/dbraw/zinc/00/58/28/442005828.db2.gz UCWBEXUGDNIQQI-MRXNPFEDSA-N 2 0 339.505 1.689 20 0 EDADRP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000161637482 442019253 /nfs/dbraw/zinc/01/92/53/442019253.db2.gz LDNQRHYYYAEQOF-LRMJVLKBSA-N 2 0 337.508 1.791 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CCCC1 ZINC000458664444 447445013 /nfs/dbraw/zinc/44/50/13/447445013.db2.gz QBAIJHZSRNOAJT-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(COC)on1 ZINC000079886230 442094220 /nfs/dbraw/zinc/09/42/20/442094220.db2.gz CRQNBVCIMYJOTJ-CQSZACIVSA-N 2 0 338.452 1.309 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000126121596 442080245 /nfs/dbraw/zinc/08/02/45/442080245.db2.gz LJQYPRKDDRGQHZ-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CC[N@@H+]1C ZINC000163494446 442169753 /nfs/dbraw/zinc/16/97/53/442169753.db2.gz LKCJXUFIJXEUPW-WBVHZDCISA-N 3 0 338.540 1.685 20 0 EDADRP C[C@H](CNC(=O)C[C@@H]1CN(Cc2ccccc2)CCO1)[N@H+](C)C1CC1 ZINC000175965539 442155144 /nfs/dbraw/zinc/15/51/44/442155144.db2.gz PJJNFHRHRFIIHK-VQIMIIECSA-N 2 0 345.487 1.876 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176001394 442159477 /nfs/dbraw/zinc/15/94/77/442159477.db2.gz BERFSDJKRZSYFQ-HOTGVXAUSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CCO)c1ccccc1 ZINC000176295695 442206974 /nfs/dbraw/zinc/20/69/74/442206974.db2.gz IZBJHPPPRUMHME-MSOLQXFVSA-N 2 0 333.476 1.642 20 0 EDADRP COc1ccc(NC(=O)CN(C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000152468546 442216146 /nfs/dbraw/zinc/21/61/46/442216146.db2.gz YQLQBKXHABUXCP-CQSZACIVSA-N 2 0 335.448 1.916 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000152478728 442217888 /nfs/dbraw/zinc/21/78/88/442217888.db2.gz OAGLCYIHOAHBPN-AWEZNQCLSA-N 2 0 332.448 1.388 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176400712 442218329 /nfs/dbraw/zinc/21/83/29/442218329.db2.gz CYAZAEFCZDWUSK-QGZVFWFLSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000128100458 442244786 /nfs/dbraw/zinc/24/47/86/442244786.db2.gz QEMCNOAVPAYSDC-YVSFHVDLSA-N 2 0 337.508 1.865 20 0 EDADRP C[C@H](C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)N1CC[NH+](C)CC1 ZINC000177302021 442326183 /nfs/dbraw/zinc/32/61/83/442326183.db2.gz WVRCEOLIZAIBCH-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCN1C(=O)NC2(CCCC2)C1=O ZINC000177314877 442327967 /nfs/dbraw/zinc/32/79/67/442327967.db2.gz DSWNIYYQMZRKSM-CABCVRRESA-N 2 0 334.464 1.410 20 0 EDADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000171306289 442340522 /nfs/dbraw/zinc/34/05/22/442340522.db2.gz PGCORZAJVIEWNW-ZACQAIPSSA-N 2 0 339.524 1.968 20 0 EDADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129243840 442307807 /nfs/dbraw/zinc/30/78/07/442307807.db2.gz DTMCUBLHLMFPIW-KSZLIROESA-N 2 0 337.508 1.678 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NCc2ccn3ccnc3c2)CC1 ZINC000177788461 442384435 /nfs/dbraw/zinc/38/44/35/442384435.db2.gz DSDMMUODVXUTBN-UHFFFAOYSA-N 2 0 345.447 1.323 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000177853220 442391327 /nfs/dbraw/zinc/39/13/27/442391327.db2.gz MKTFISNAGQDGGQ-INIZCTEOSA-N 2 0 326.485 1.082 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000155919702 442436782 /nfs/dbraw/zinc/43/67/82/442436782.db2.gz WXATWYOJDROJGL-IRXDYDNUSA-N 2 0 340.508 1.739 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178874849 442510050 /nfs/dbraw/zinc/51/00/50/442510050.db2.gz QROWOLFHXPLASU-QGZVFWFLSA-N 2 0 330.476 1.457 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178873850 442510073 /nfs/dbraw/zinc/51/00/73/442510073.db2.gz MWLMYWFSKALARB-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000178871632 442509237 /nfs/dbraw/zinc/50/92/37/442509237.db2.gz HQBPAKMCUIBXSR-GOSISDBHSA-N 2 0 330.476 1.063 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCc1ccccc1C[NH+]1CCCC1 ZINC000178754790 442475067 /nfs/dbraw/zinc/47/50/67/442475067.db2.gz GUIIQPQJRTTZNM-QGZVFWFLSA-N 2 0 333.501 1.994 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000134923606 442537249 /nfs/dbraw/zinc/53/72/49/442537249.db2.gz XZJGIPWLHHWFNQ-GDBMZVCRSA-N 2 0 348.491 1.656 20 0 EDADRP O=C(CN1CCC[C@H]([NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000157156236 442554916 /nfs/dbraw/zinc/55/49/16/442554916.db2.gz CYFDVTKBPBCDRW-SFHVURJKSA-N 2 0 348.535 1.680 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000157338749 442573849 /nfs/dbraw/zinc/57/38/49/442573849.db2.gz RJDFZKJYBWRSLG-NVXWUHKLSA-N 2 0 325.497 1.628 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000135342211 442583197 /nfs/dbraw/zinc/58/31/97/442583197.db2.gz TVKVSGQFZDCXDD-UHFFFAOYSA-N 2 0 340.443 1.265 20 0 EDADRP C[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1CCc2ccccc2C1 ZINC000135517288 442605881 /nfs/dbraw/zinc/60/58/81/442605881.db2.gz VRCBDWVUOJZKIB-CRAIPNDOSA-N 2 0 347.528 1.987 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000186569934 442562758 /nfs/dbraw/zinc/56/27/58/442562758.db2.gz TTXBXTJYOOCNDY-CQSZACIVSA-N 2 0 336.446 1.629 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000186571455 442563707 /nfs/dbraw/zinc/56/37/07/442563707.db2.gz FSXIMNHVBIBZFK-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000187953416 442699788 /nfs/dbraw/zinc/69/97/88/442699788.db2.gz SLDWEMYWACNTTJ-WZGPROSRSA-N 2 0 345.487 1.875 20 0 EDADRP CCOC(=O)C[C@@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000182663944 442802869 /nfs/dbraw/zinc/80/28/69/442802869.db2.gz ZOVVMXDXOJDPLA-CQSZACIVSA-N 2 0 327.469 1.249 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC2CC[NH+](C)CC2)CC[N@@H+]1CC(C)(C)O ZINC000188514720 442759005 /nfs/dbraw/zinc/75/90/05/442759005.db2.gz RHSJJUHWXWMFGB-OAHLLOKOSA-N 2 0 340.512 1.205 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH+]2CCOC)C1 ZINC000246360475 442775922 /nfs/dbraw/zinc/77/59/22/442775922.db2.gz PUCXRRFFOPWULN-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182834691 442833542 /nfs/dbraw/zinc/83/35/42/442833542.db2.gz OWFWKDBDLGFQEE-SJORKVTESA-N 2 0 345.553 1.205 20 0 EDADRP C[C@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@H](C)C1 ZINC000246765251 442811529 /nfs/dbraw/zinc/81/15/29/442811529.db2.gz QURXGRLKDZWAAF-LSDHHAIUSA-N 2 0 336.484 1.687 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188796930 442816247 /nfs/dbraw/zinc/81/62/47/442816247.db2.gz XUCRUJAWBKWZHR-FUHWJXTLSA-N 2 0 348.466 1.405 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967103 442851486 /nfs/dbraw/zinc/85/14/86/442851486.db2.gz WDMXRIZRAGEADQ-LRDDRELGSA-N 2 0 329.448 1.144 20 0 EDADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182974788 442858161 /nfs/dbraw/zinc/85/81/61/442858161.db2.gz CARUUDAFQBRILF-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182989107 442860512 /nfs/dbraw/zinc/86/05/12/442860512.db2.gz BIPAWXLIHVKBIK-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148203 442870031 /nfs/dbraw/zinc/87/00/31/442870031.db2.gz UDWOFVGFYQJGGZ-MAUKXSAKSA-N 2 0 330.476 1.900 20 0 EDADRP COC(=O)[C@H]1C[C@@H](C(=O)OC)CCN1CCCCn1ccnc1C ZINC000183140268 442887652 /nfs/dbraw/zinc/88/76/52/442887652.db2.gz VMJMNDRZBAAUJS-LSDHHAIUSA-N 2 0 337.420 1.398 20 0 EDADRP CC[C@@H](O)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000248687194 442918110 /nfs/dbraw/zinc/91/81/10/442918110.db2.gz AISGDSJHWSRWEP-DQCOHUIHSA-N 2 0 342.524 1.598 20 0 EDADRP Cc1nccc(N2CCN(C[C@H](O)COCc3ccco3)CC2)n1 ZINC000183783900 442963992 /nfs/dbraw/zinc/96/39/92/442963992.db2.gz UAMNXAFXLSSDDI-HNNXBMFYSA-N 2 0 332.404 1.078 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000296580077 318708358 /nfs/dbraw/zinc/70/83/58/318708358.db2.gz WTEONWDGRXVBON-KRWDZBQOSA-N 2 0 332.492 1.309 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCC3([NH3+])CCCCC3)ccn2)CC1 ZINC000237236876 443165510 /nfs/dbraw/zinc/16/55/10/443165510.db2.gz YAYJYWJTMZFXGY-UHFFFAOYSA-N 2 0 331.464 1.225 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)c2csc(CC[NH3+])n2)cc1 ZINC000262046209 443181548 /nfs/dbraw/zinc/18/15/48/443181548.db2.gz UMAOFFJFEZBSOK-MRXNPFEDSA-N 2 0 344.484 1.993 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268947592 443156313 /nfs/dbraw/zinc/15/63/13/443156313.db2.gz BNTDHXLZHPHCNJ-INIZCTEOSA-N 2 0 333.476 1.631 20 0 EDADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269235387 443244393 /nfs/dbraw/zinc/24/43/93/443244393.db2.gz GLKNUFQIIWIAEU-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP CC(C)CNC(=O)NC(=O)CN[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674603 443236151 /nfs/dbraw/zinc/23/61/51/443236151.db2.gz TWBSYFOQRICCCH-GJZGRUSLSA-N 2 0 338.496 1.711 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269233346 443243196 /nfs/dbraw/zinc/24/31/96/443243196.db2.gz KCVZNGPCDZISCK-KRWDZBQOSA-N 2 0 343.475 1.258 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NCCCC[NH+]2CCOCC2)CCCC1 ZINC000185481521 443206604 /nfs/dbraw/zinc/20/66/04/443206604.db2.gz FJZPTDZNARUYRP-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)[C@H](C)C1 ZINC000262758465 443210683 /nfs/dbraw/zinc/21/06/83/443210683.db2.gz ICLLMPJZLVWGHU-OAGGEKHMSA-N 2 0 343.537 1.335 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000349419370 319031716 /nfs/dbraw/zinc/03/17/16/319031716.db2.gz CRZFMOVZHYBKFO-MRXNPFEDSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269250881 443250938 /nfs/dbraw/zinc/25/09/38/443250938.db2.gz GWOUXMAZOKZAEI-MJGOQNOKSA-N 2 0 345.487 1.878 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000383719867 319126120 /nfs/dbraw/zinc/12/61/20/319126120.db2.gz YDTNHHHEEGFYDR-UFYCRDLUSA-N 2 0 331.504 1.753 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccc(F)cc3)CC2)C1 ZINC000414670764 319338917 /nfs/dbraw/zinc/33/89/17/319338917.db2.gz MRXTZPJODAVDIC-HNNXBMFYSA-N 2 0 334.439 1.145 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(CC(=O)N3CCCCCC3)CC2)CC[NH2+]1 ZINC000414684292 319342264 /nfs/dbraw/zinc/34/22/64/319342264.db2.gz VFOYLWQMLQYHNH-ZWKOTPCHSA-N 2 0 336.524 1.395 20 0 EDADRP COc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693487 319343491 /nfs/dbraw/zinc/34/34/91/319343491.db2.gz RTHSJWAMENMQKB-SJLPKXTDSA-N 2 0 345.487 1.899 20 0 EDADRP COCc1cccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1 ZINC000414992485 319344231 /nfs/dbraw/zinc/34/42/31/319344231.db2.gz TUXOAIHEXQXAHG-HNNXBMFYSA-N 2 0 331.382 1.759 20 0 EDADRP Cc1ccc(NC(=O)N2CCO[C@H](C[NH3+])C2)c(OCC[NH+](C)C)c1 ZINC000415199836 319349982 /nfs/dbraw/zinc/34/99/82/319349982.db2.gz DNLWZGVYMRQFGW-CQSZACIVSA-N 2 0 336.436 1.127 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415234683 319354687 /nfs/dbraw/zinc/35/46/87/319354687.db2.gz UYIYHQDNBGAYIN-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000264304704 443259593 /nfs/dbraw/zinc/25/95/93/443259593.db2.gz XEAGRFGEPKLLHQ-INIZCTEOSA-N 2 0 333.476 1.958 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000415726937 319367097 /nfs/dbraw/zinc/36/70/97/319367097.db2.gz QBARBSVKCPAGKV-LJQANCHMSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415746362 319369025 /nfs/dbraw/zinc/36/90/25/319369025.db2.gz OQURNDQLPCMIDU-GUYCJALGSA-N 2 0 344.459 1.210 20 0 EDADRP CS[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1[NH+](C)C ZINC000415892745 319382456 /nfs/dbraw/zinc/38/24/56/319382456.db2.gz JJEQMOIKGIEIMR-HZPDHXFCSA-N 2 0 334.489 1.842 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415956811 319384680 /nfs/dbraw/zinc/38/46/80/319384680.db2.gz OREHDVGWRWVCAS-UHFFFAOYSA-N 2 0 338.427 1.513 20 0 EDADRP CCOC(=O)[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191386978 443288252 /nfs/dbraw/zinc/28/82/52/443288252.db2.gz XSBNRWAWGWNDOU-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1cccc(F)c1 ZINC000416825228 319463834 /nfs/dbraw/zinc/46/38/34/319463834.db2.gz AOKRGAYDQCJYPZ-BFYDXBDKSA-N 2 0 334.439 1.679 20 0 EDADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCOC1 ZINC000272602787 443379852 /nfs/dbraw/zinc/37/98/52/443379852.db2.gz FLURWWRCBXGPSO-IBGZPJMESA-N 2 0 346.475 1.527 20 0 EDADRP CC(C)[C@@H](O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269666554 443387401 /nfs/dbraw/zinc/38/74/01/443387401.db2.gz IGLRUHUMSOFMNH-KRWDZBQOSA-N 2 0 334.464 1.117 20 0 EDADRP C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000278774374 443433487 /nfs/dbraw/zinc/43/34/87/443433487.db2.gz YPNXWILNRKVDPW-OXJNMPFZSA-N 2 0 347.503 1.847 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H]1CCOC1 ZINC000267475242 443470376 /nfs/dbraw/zinc/47/03/76/443470376.db2.gz ZAAVWGCXGCDPDI-NEWSRXKRSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@]1(C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)CCC[NH2+]C1 ZINC000423326590 319764649 /nfs/dbraw/zinc/76/46/49/319764649.db2.gz CNWDYKYTCAEFFL-IRXDYDNUSA-N 2 0 337.489 1.691 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423359158 319766242 /nfs/dbraw/zinc/76/62/42/319766242.db2.gz CRMVVDBICHRBOV-WXHSDQCUSA-N 2 0 328.254 1.859 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[NH2+]CC1 ZINC000423389825 319770048 /nfs/dbraw/zinc/77/00/48/319770048.db2.gz OMFLLXGQFRBECJ-AWEZNQCLSA-N 3 0 331.460 1.701 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(I)cc1 ZINC000423395303 319770799 /nfs/dbraw/zinc/77/07/99/319770799.db2.gz AIDIBTVBDMYYDM-GAFUQQFSSA-N 2 0 346.212 1.522 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000423410208 319773129 /nfs/dbraw/zinc/77/31/29/319773129.db2.gz RLWBPWFUKVJIBM-SFHVURJKSA-N 2 0 337.508 1.855 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283141696 443537157 /nfs/dbraw/zinc/53/71/57/443537157.db2.gz BSUXMNNWJIUHIW-QGZVFWFLSA-N 2 0 348.491 1.254 20 0 EDADRP C[C@@H](O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279418009 443582865 /nfs/dbraw/zinc/58/28/65/443582865.db2.gz IIHKJVHGGWRPSE-MRXNPFEDSA-N 2 0 349.479 1.054 20 0 EDADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431026340 319937538 /nfs/dbraw/zinc/93/75/38/319937538.db2.gz WPNTUWWNKPBHLK-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000279567548 443608445 /nfs/dbraw/zinc/60/84/45/443608445.db2.gz FRDOFYNRBHOUQX-SFHVURJKSA-N 2 0 328.460 1.822 20 0 EDADRP O=C(C=Cc1c[nH]cn1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000283369523 443615100 /nfs/dbraw/zinc/61/51/00/443615100.db2.gz DWNGDGOTBVLSNN-NSCUHMNNSA-N 2 0 340.431 1.146 20 0 EDADRP C[C@H]1COCC[C@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000433138825 319971488 /nfs/dbraw/zinc/97/14/88/319971488.db2.gz ZHRNFDQJCTVWPU-QFBILLFUSA-N 2 0 345.487 1.913 20 0 EDADRP CC(C)(C)c1nnc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)s1 ZINC000433145160 319971921 /nfs/dbraw/zinc/97/19/21/319971921.db2.gz PFFGWVRQPIWKJO-UHFFFAOYSA-N 2 0 325.482 1.977 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000433149878 319972244 /nfs/dbraw/zinc/97/22/44/319972244.db2.gz UWJVYZISSFNATJ-UHFFFAOYSA-N 2 0 341.459 1.692 20 0 EDADRP COc1ccc(NC(C)=O)cc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433162995 319973552 /nfs/dbraw/zinc/97/35/52/319973552.db2.gz WOWRMZHJNKJKEE-UHFFFAOYSA-N 2 0 348.447 1.795 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286087254 443642916 /nfs/dbraw/zinc/64/29/16/443642916.db2.gz MOZUILFWSSOZSO-KBPBESRZSA-N 2 0 332.448 1.304 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+]1C1CC1 ZINC000280110182 443665611 /nfs/dbraw/zinc/66/56/11/443665611.db2.gz FEPMXZOUMXBSDQ-OALUTQOASA-N 2 0 343.471 1.496 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1 ZINC000454324423 320286483 /nfs/dbraw/zinc/28/64/83/320286483.db2.gz VSCNNPITKLFQNM-FUHWJXTLSA-N 2 0 346.475 1.473 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H](C)[N@H+]1C ZINC000457481188 320327639 /nfs/dbraw/zinc/32/76/39/320327639.db2.gz DTYGEVHADJHCOG-SOLBZPMBSA-N 2 0 330.476 1.995 20 0 EDADRP CC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000457614814 320331093 /nfs/dbraw/zinc/33/10/93/320331093.db2.gz MJLMBQQOVYYLRN-RDJZCZTQSA-N 2 0 337.508 1.555 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)[C@@H](C)C1 ZINC000458853018 320343173 /nfs/dbraw/zinc/34/31/73/320343173.db2.gz VZBIFKFJEZYNON-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)[C@@H]1SC ZINC000459381241 320347934 /nfs/dbraw/zinc/34/79/34/320347934.db2.gz USUKYTOZFPOZTB-ZACQAIPSSA-N 2 0 329.554 1.903 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000471641714 320352934 /nfs/dbraw/zinc/35/29/34/320352934.db2.gz HXAXELYXONQWCK-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP O=C(CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)NCC(F)F ZINC000280904542 443770924 /nfs/dbraw/zinc/77/09/24/443770924.db2.gz PYDICNIPHAHZTP-ARFHVFGLSA-N 2 0 337.414 1.868 20 0 EDADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241486 320617103 /nfs/dbraw/zinc/61/71/03/320617103.db2.gz QHNQBGLJRWBDFB-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCC[N@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000285059475 443840767 /nfs/dbraw/zinc/84/07/67/443840767.db2.gz JWWSVEBXVBBSMN-ROUUACIJSA-N 2 0 348.491 1.479 20 0 EDADRP Cc1nn(C)c(C)c1C[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531118811 320649303 /nfs/dbraw/zinc/64/93/03/320649303.db2.gz GYZUKCHLJOKDKX-CQSZACIVSA-N 2 0 337.512 1.167 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccc(=O)[nH]n1 ZINC000285545652 444023780 /nfs/dbraw/zinc/02/37/80/444023780.db2.gz GGHRBWBWTWRHAV-INIZCTEOSA-N 2 0 341.459 1.238 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000285703007 444078610 /nfs/dbraw/zinc/07/86/10/444078610.db2.gz CEWYFUUIPFCKHI-KBAYOESNSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000561270617 321038393 /nfs/dbraw/zinc/03/83/93/321038393.db2.gz VBCAPJLCGPNCIV-GOSISDBHSA-N 2 0 345.487 1.585 20 0 EDADRP O[C@@H](Cn1cccn1)C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285727381 444087401 /nfs/dbraw/zinc/08/74/01/444087401.db2.gz XIMOVBUUIODWKI-UXHICEINSA-N 2 0 340.471 1.842 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000562734073 321074111 /nfs/dbraw/zinc/07/41/11/321074111.db2.gz ZNFOASQQVBMLRR-AWEZNQCLSA-N 2 0 347.381 1.283 20 0 EDADRP CC[NH2+]CCCNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000562800222 321076915 /nfs/dbraw/zinc/07/69/15/321076915.db2.gz AAXWCVJLDQVSBP-SFHVURJKSA-N 2 0 332.492 1.850 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000562915503 321081179 /nfs/dbraw/zinc/08/11/79/321081179.db2.gz QFFLUPGKPHMIHB-CABCVRRESA-N 2 0 334.468 1.535 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)C1 ZINC000563422475 321110607 /nfs/dbraw/zinc/11/06/07/321110607.db2.gz DOLIIETUIKTXJL-ROUUACIJSA-N 2 0 333.476 1.757 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000564445710 321131961 /nfs/dbraw/zinc/13/19/61/321131961.db2.gz FFEJEESWOGMHTG-QRVBRYPASA-N 2 0 344.503 1.609 20 0 EDADRP COc1ccccc1[C@@H](N)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000564992707 321163443 /nfs/dbraw/zinc/16/34/43/321163443.db2.gz ISBFJOSYGNHNBY-JTTJXQCZSA-N 2 0 346.475 1.028 20 0 EDADRP COc1ccc(C[C@H](C)C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1F ZINC000565234176 321177561 /nfs/dbraw/zinc/17/75/61/321177561.db2.gz REIYTEVWUIVJMC-NOLJZWGESA-N 2 0 335.423 1.257 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1(C[NH3+])CCC1 ZINC000565368262 321184243 /nfs/dbraw/zinc/18/42/43/321184243.db2.gz TTZWMMJFSUIJIH-UHFFFAOYSA-N 2 0 344.503 1.712 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000565648425 321194731 /nfs/dbraw/zinc/19/47/31/321194731.db2.gz PRYUTNHHWUGVBV-AEFFLSMTSA-N 2 0 331.460 1.868 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)COCc1ccccc1 ZINC000566116251 321217043 /nfs/dbraw/zinc/21/70/43/321217043.db2.gz HSRGCXRPGGYRBM-QUCCMNQESA-N 2 0 348.487 1.655 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@@H](c3cccc(F)c3)C2)CC1 ZINC000566123534 321218462 /nfs/dbraw/zinc/21/84/62/321218462.db2.gz BLUYPENTGITMEW-BHIYHBOVSA-N 2 0 335.467 1.660 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)CC1 ZINC000566190321 321221880 /nfs/dbraw/zinc/22/18/80/321221880.db2.gz PLDZYWIPMZGCLK-DLBZAZTESA-N 2 0 334.508 1.003 20 0 EDADRP C[NH2+]CCC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000285750000 444095387 /nfs/dbraw/zinc/09/53/87/444095387.db2.gz IYTJNPMMHOVMPP-UHFFFAOYSA-N 2 0 339.867 1.909 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000567804645 321258847 /nfs/dbraw/zinc/25/88/47/321258847.db2.gz RODYHFCQFLMGKD-IBGZPJMESA-N 2 0 345.487 1.197 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000568202705 321280291 /nfs/dbraw/zinc/28/02/91/321280291.db2.gz UCQZYSCGUCHPOF-KBAYOESNSA-N 2 0 331.460 1.080 20 0 EDADRP C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000568389341 321289059 /nfs/dbraw/zinc/28/90/59/321289059.db2.gz DSPPMVGODGFKPH-GVDBMIGSSA-N 2 0 325.497 1.221 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000568745734 321304673 /nfs/dbraw/zinc/30/46/73/321304673.db2.gz JIESPZUORLHIGP-HKUYNNGSSA-N 2 0 342.487 1.112 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000569967158 321332479 /nfs/dbraw/zinc/33/24/79/321332479.db2.gz LWUAMNKMWKPXAY-UHFFFAOYSA-N 2 0 348.447 1.284 20 0 EDADRP C[NH2+]CCC(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000285773015 444103466 /nfs/dbraw/zinc/10/34/66/444103466.db2.gz MBOWRYLXPLUQCW-UHFFFAOYSA-N 2 0 349.475 1.402 20 0 EDADRP CN(C(=O)Cn1ccnc1)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000570544866 321346816 /nfs/dbraw/zinc/34/68/16/321346816.db2.gz OJSYYSJBWOOHID-ZWKOTPCHSA-N 2 0 347.507 1.679 20 0 EDADRP CN(C(=O)N[C@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000570652628 321351781 /nfs/dbraw/zinc/35/17/81/321351781.db2.gz UZMPOPOONXRCRH-INIZCTEOSA-N 2 0 331.464 1.092 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000570943744 321365960 /nfs/dbraw/zinc/36/59/60/321365960.db2.gz SISDXXAJBDFXQN-INMHGKMJSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC(C)C1 ZINC000571102680 321371398 /nfs/dbraw/zinc/37/13/98/321371398.db2.gz SMZLIJSTKAXABR-LPHOPBHVSA-N 2 0 331.460 1.080 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@@H](C)O1 ZINC000571551836 321391509 /nfs/dbraw/zinc/39/15/09/321391509.db2.gz VWMOPKNXVBSRLJ-BRWVUGGUSA-N 2 0 346.475 1.486 20 0 EDADRP CCN(C)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cn1 ZINC000571743568 321399333 /nfs/dbraw/zinc/39/93/33/321399333.db2.gz WVHWPUAQWFUHRL-APWZRJJASA-N 2 0 345.491 1.274 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)Cc1ccccc1 ZINC000285800541 444111921 /nfs/dbraw/zinc/11/19/21/444111921.db2.gz QFDZWOIXOOJGFQ-ROUUACIJSA-N 2 0 333.476 1.434 20 0 EDADRP Cn1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(-c2ccncc2)n1 ZINC000282285903 444137663 /nfs/dbraw/zinc/13/76/63/444137663.db2.gz IPJGRUNBKGAWAC-UHFFFAOYSA-N 2 0 342.491 1.598 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000573384838 321452687 /nfs/dbraw/zinc/45/26/87/321452687.db2.gz HOHAVSHZKYQECE-INIZCTEOSA-N 2 0 327.513 1.708 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c(C)c1OC ZINC000285927214 444155002 /nfs/dbraw/zinc/15/50/02/444155002.db2.gz FCANUUOIDCBYEH-YOEHRIQHSA-N 2 0 336.476 1.990 20 0 EDADRP Cc1ccccc1CCNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289552603 444169924 /nfs/dbraw/zinc/16/99/24/444169924.db2.gz XIFZGAUZENQKPU-UHFFFAOYSA-N 2 0 348.535 1.469 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cnn(-c3ccccc3)c2)CC1(C)C ZINC000282251928 444127094 /nfs/dbraw/zinc/12/70/94/444127094.db2.gz GQRYWCMBQXUMPK-UHFFFAOYSA-N 2 0 327.476 1.988 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[nH]c1C ZINC000296661690 444246453 /nfs/dbraw/zinc/24/64/53/444246453.db2.gz FFRPZMGSXWCJGL-UHFFFAOYSA-N 2 0 336.480 1.615 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302848326 444227072 /nfs/dbraw/zinc/22/70/72/444227072.db2.gz HMAMBNBVYYAEIK-ZDUSSCGKSA-N 2 0 345.472 1.904 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N(C)CC(F)(F)F)CC1 ZINC000303295067 444236278 /nfs/dbraw/zinc/23/62/78/444236278.db2.gz OWPNXPIYASZLMO-LBPRGKRZSA-N 2 0 339.402 1.032 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000577370275 321646277 /nfs/dbraw/zinc/64/62/77/321646277.db2.gz ZIFXFXBFJMPJHQ-UHFFFAOYSA-N 2 0 334.464 1.398 20 0 EDADRP COC1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000310084302 444290667 /nfs/dbraw/zinc/29/06/67/444290667.db2.gz MBSHSHWKYLGDTA-QGZVFWFLSA-N 2 0 331.460 1.393 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000310021229 444290822 /nfs/dbraw/zinc/29/08/22/444290822.db2.gz BHIBEALZAKPFHS-QGZVFWFLSA-N 2 0 330.476 1.061 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000578080346 321719295 /nfs/dbraw/zinc/71/92/95/321719295.db2.gz UHASOMPPVGBHFK-NXNVCVFFSA-N 2 0 333.863 1.711 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000578768762 321829289 /nfs/dbraw/zinc/82/92/89/321829289.db2.gz PNIDRFWAGCTNKP-QCBUCWTNSA-N 2 0 349.519 1.756 20 0 EDADRP CC[C@H](C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000298131643 444425434 /nfs/dbraw/zinc/42/54/34/444425434.db2.gz BMAGLGIAXYSWSU-FGTMMUONSA-N 2 0 333.476 1.326 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCN(C2CC2)C1 ZINC000340476473 444393254 /nfs/dbraw/zinc/39/32/54/444393254.db2.gz QNCYSAOSRCAWBC-DGCLKSJQSA-N 2 0 340.265 1.826 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331352190 444468200 /nfs/dbraw/zinc/46/82/00/444468200.db2.gz ONKZEVRKCJCGIJ-IAGOWNOFSA-N 2 0 339.524 1.704 20 0 EDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000340684255 444479752 /nfs/dbraw/zinc/47/97/52/444479752.db2.gz WRFMRKPSKKLOKI-DOTOQJQBSA-N 2 0 325.497 1.759 20 0 EDADRP CN1CCN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000580053226 322002103 /nfs/dbraw/zinc/00/21/03/322002103.db2.gz IVPFPENHBITRSM-GOSISDBHSA-N 2 0 345.491 1.067 20 0 EDADRP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CC2 ZINC000580436875 322051007 /nfs/dbraw/zinc/05/10/07/322051007.db2.gz YJSQQQPJPXGTLK-UYAOXDASSA-N 2 0 331.504 1.995 20 0 EDADRP CN1CCN(C(=O)N[C@H]2CCSc3ccc(F)cc32)[C@H](C[NH3+])C1 ZINC000580703858 322084520 /nfs/dbraw/zinc/08/45/20/322084520.db2.gz OJRQZIDRWLPRJR-OCCSQVGLSA-N 2 0 338.452 1.647 20 0 EDADRP C[N@@H+]1CC[C@](O)(CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873131 322105771 /nfs/dbraw/zinc/10/57/71/322105771.db2.gz QDJGWJCXJWLPKK-YRPNKDGESA-N 2 0 329.488 1.838 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000581010454 322124167 /nfs/dbraw/zinc/12/41/67/322124167.db2.gz IVJOMYBXYCMKLR-QGZVFWFLSA-N 2 0 333.480 1.566 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000581478580 322182016 /nfs/dbraw/zinc/18/20/16/322182016.db2.gz CMKFWOBLYXGJFH-SFHVURJKSA-N 2 0 346.475 1.282 20 0 EDADRP [NH3+]C1(CNCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCC1 ZINC000342135881 444527440 /nfs/dbraw/zinc/52/74/40/444527440.db2.gz QNGSMVZKHVWJHJ-UHFFFAOYSA-N 2 0 330.476 1.370 20 0 EDADRP CC[N@H+](CCC1CC[NH+](C[C@](C)(O)C(=O)OC)CC1)CC1CC1 ZINC000343706310 444533049 /nfs/dbraw/zinc/53/30/49/444533049.db2.gz GLKOFOHMOHFZPU-SFHVURJKSA-N 2 0 326.481 1.744 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(C)c1OC ZINC000342180969 444551432 /nfs/dbraw/zinc/55/14/32/444551432.db2.gz WFCCKWGXKKUZDV-HNNXBMFYSA-N 2 0 335.492 1.985 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000340966455 444603912 /nfs/dbraw/zinc/60/39/12/444603912.db2.gz VDGFAPOBJCUMEP-CAOSSQGBSA-N 2 0 326.485 1.268 20 0 EDADRP C[NH+]1CCC(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)(N2CCOCC2)CC1 ZINC000333266276 444652148 /nfs/dbraw/zinc/65/21/48/444652148.db2.gz JNGYHTJFSHBAAK-MOPGFXCFSA-N 2 0 344.503 1.517 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC1 ZINC000341084830 444665638 /nfs/dbraw/zinc/66/56/38/444665638.db2.gz JYPNODMEETZJTQ-UHFFFAOYSA-N 2 0 344.503 1.869 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000329670698 444673470 /nfs/dbraw/zinc/67/34/70/444673470.db2.gz TTZIWILQGJELQW-BPQIPLTHSA-N 2 0 330.476 1.940 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1C[NH3+] ZINC000333507048 444676949 /nfs/dbraw/zinc/67/69/49/444676949.db2.gz INRLWKNEOHRNMO-RAXXDENGSA-N 2 0 334.508 1.766 20 0 EDADRP CC(=O)N1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000342417017 444683226 /nfs/dbraw/zinc/68/32/26/444683226.db2.gz KCMTVTDFTKPKGY-UHFFFAOYSA-N 2 0 334.464 1.513 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C[C@@H]12 ZINC000333135605 444641295 /nfs/dbraw/zinc/64/12/95/444641295.db2.gz BOAPXYHACXKSBV-KOAVDQRTSA-N 2 0 332.492 1.519 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000333889784 444709650 /nfs/dbraw/zinc/70/96/50/444709650.db2.gz XYKIHAMKUSQQSA-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@H]([NH+](C)C)[C@@H](C)C3)n2)C[C@@H]1[NH+](C)C ZINC000342512641 444724807 /nfs/dbraw/zinc/72/48/07/444724807.db2.gz PFCUYWZZHOGDEM-FZKCQIBNSA-N 2 0 332.496 1.249 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000341204602 444728233 /nfs/dbraw/zinc/72/82/33/444728233.db2.gz PWMOMWYKTLZMOE-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2CCOC[C@H]2C)C1 ZINC000341123070 444684523 /nfs/dbraw/zinc/68/45/23/444684523.db2.gz KRFPNSFJDZMHRP-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000333778531 444696669 /nfs/dbraw/zinc/69/66/69/444696669.db2.gz KMQVLSZMAHIFNV-OIISXLGYSA-N 2 0 338.496 1.256 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032322 444740219 /nfs/dbraw/zinc/74/02/19/444740219.db2.gz PUUJZAPHOLVOGQ-SJORKVTESA-N 2 0 326.529 1.497 20 0 EDADRP O=C(NCC1CC[NH+](CCO)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338549879 444744781 /nfs/dbraw/zinc/74/47/81/444744781.db2.gz JCLGSUWCBHGEAM-UHFFFAOYSA-N 2 0 345.487 1.717 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000338569687 444749481 /nfs/dbraw/zinc/74/94/81/444749481.db2.gz LIOCZGYFGOGPJM-HOTGVXAUSA-N 2 0 325.497 1.534 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3CCC[NH2+][C@H]3C)CCCC2)CC1 ZINC000342715049 444830848 /nfs/dbraw/zinc/83/08/48/444830848.db2.gz UMZYYLGSNYVHLH-RDJZCZTQSA-N 2 0 337.508 1.914 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C ZINC000341470585 444848427 /nfs/dbraw/zinc/84/84/27/444848427.db2.gz YMTWLKBNOMAVFM-IYBDPMFKSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000342781229 444864244 /nfs/dbraw/zinc/86/42/44/444864244.db2.gz NGAGBVSLCCTWBP-KXBFYZLASA-N 2 0 345.487 1.457 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000342709581 444827476 /nfs/dbraw/zinc/82/74/76/444827476.db2.gz OWPNGEAALDRPMQ-SOUVJXGZSA-N 2 0 327.469 1.284 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[N@@H+]4CCCC[C@@H]4C3)n2)CC1 ZINC000330221526 444893993 /nfs/dbraw/zinc/89/39/93/444893993.db2.gz RFKOSYJLZZHOMT-MRXNPFEDSA-N 2 0 346.479 1.852 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCCOC3)CC2)C1 ZINC000342915714 444939924 /nfs/dbraw/zinc/93/99/24/444939924.db2.gz GGLFEDYWWBXYAI-MSOLQXFVSA-N 2 0 325.497 1.140 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)C(=O)NCCF)CC1 ZINC000337292439 445019376 /nfs/dbraw/zinc/01/93/76/445019376.db2.gz MVSFPQGRVZYBOH-OAHLLOKOSA-N 2 0 336.455 1.392 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697561 445132931 /nfs/dbraw/zinc/13/29/31/445132931.db2.gz LJICMFXQMRYGDY-NVXWUHKLSA-N 2 0 338.540 1.543 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1)C(C)C ZINC000343143992 445093927 /nfs/dbraw/zinc/09/39/27/445093927.db2.gz UHDDQMMNGBJKAV-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342122308 445184078 /nfs/dbraw/zinc/18/40/78/445184078.db2.gz BIXRWNIDGMISHD-SZMVWBNQSA-N 2 0 331.460 1.713 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1cc(C)cn1 ZINC000337581064 445149103 /nfs/dbraw/zinc/14/91/03/445149103.db2.gz NYLVLLXGSUICDT-KRWDZBQOSA-N 2 0 335.496 1.456 20 0 EDADRP CO[C@@H]1CCCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000344922630 445149795 /nfs/dbraw/zinc/14/97/95/445149795.db2.gz SBQUIILXBVQFEU-RYQLBKOJSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343582634 445251498 /nfs/dbraw/zinc/25/14/98/445251498.db2.gz QULPBJWJJFROHX-FUHWJXTLSA-N 2 0 330.476 1.013 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000348324471 445256722 /nfs/dbraw/zinc/25/67/22/445256722.db2.gz XTSGQFRVXNOTKD-KSZLIROESA-N 2 0 327.513 1.170 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CN(C)C[C@@H]2C)CC1 ZINC000343604532 445260167 /nfs/dbraw/zinc/26/01/67/445260167.db2.gz KURXASUKARQATD-PXNSSMCTSA-N 2 0 330.520 1.864 20 0 EDADRP C[C@H]([NH2+][C@@H]1COC[C@@H]1n1ccnn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348516166 445310759 /nfs/dbraw/zinc/31/07/59/445310759.db2.gz QANHKAZBLZYSDO-AITUJVMLSA-N 2 0 341.459 1.718 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000354507721 445270010 /nfs/dbraw/zinc/27/00/10/445270010.db2.gz JCKVQRCCZUZPBH-KRWDZBQOSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351852351 445343481 /nfs/dbraw/zinc/34/34/81/445343481.db2.gz NDXXWCOOPZBVCE-ARFHVFGLSA-N 2 0 346.475 1.098 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000362396773 445359435 /nfs/dbraw/zinc/35/94/35/445359435.db2.gz PUHODEOKAHGMNZ-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP Cc1nccn1CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756963 445363951 /nfs/dbraw/zinc/36/39/51/445363951.db2.gz RNCGFGWBZCPJLO-DLBZAZTESA-N 2 0 333.480 1.162 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCNS(=O)(=O)CC)CC1)CC1CC1 ZINC000357071898 445406977 /nfs/dbraw/zinc/40/69/77/445406977.db2.gz CVVAUURJJKOBKX-UHFFFAOYSA-N 2 0 345.553 1.760 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCNS(=O)(=O)CC)CC1 ZINC000359886495 445474851 /nfs/dbraw/zinc/47/48/51/445474851.db2.gz RNAUEGLGQAVYOK-UHFFFAOYSA-N 2 0 333.542 1.760 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000355406569 445458451 /nfs/dbraw/zinc/45/84/51/445458451.db2.gz DQUJVXXFFKZSFQ-KURKYZTESA-N 2 0 336.524 1.488 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000359919552 445488406 /nfs/dbraw/zinc/48/84/06/445488406.db2.gz VEHQUXKYWXRCGW-JYJNAYRXSA-N 2 0 328.501 1.203 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]2C[NH+]3CCC2CC3)c1 ZINC000362805733 445558507 /nfs/dbraw/zinc/55/85/07/445558507.db2.gz LDYNNROGODIEQX-SFHVURJKSA-N 2 0 331.460 1.585 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353447957 445606201 /nfs/dbraw/zinc/60/62/01/445606201.db2.gz MWTLCMONWGZNLP-DLBZAZTESA-N 2 0 342.491 1.944 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000353459223 445611141 /nfs/dbraw/zinc/61/11/41/445611141.db2.gz LLHPOAKNLFCDTJ-IAGOWNOFSA-N 2 0 333.480 1.194 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000358277703 445615313 /nfs/dbraw/zinc/61/53/13/445615313.db2.gz PZLBUBPBGAMXLE-GVDBMIGSSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000362936443 445616387 /nfs/dbraw/zinc/61/63/87/445616387.db2.gz VNFKWBXWEPFUHS-KMFMINBZSA-N 2 0 335.448 1.124 20 0 EDADRP Cn1c2ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2oc1=O ZINC000353491734 445626498 /nfs/dbraw/zinc/62/64/98/445626498.db2.gz KWXUYWZGLVWBOH-UHFFFAOYSA-N 2 0 348.491 1.837 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000362990802 445640640 /nfs/dbraw/zinc/64/06/40/445640640.db2.gz PXMJYDRRNUNHNE-SJLPKXTDSA-N 2 0 336.524 1.201 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1CCC[N@@H+]1CCOC ZINC000349710579 445651910 /nfs/dbraw/zinc/65/19/10/445651910.db2.gz GCEPSBXANZKOSS-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CC2)C2CCCC2)C1 ZINC000363036210 445657409 /nfs/dbraw/zinc/65/74/09/445657409.db2.gz DMLCQFLGSZPMHM-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP COC(=O)[C@H](C)C[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358579839 445660068 /nfs/dbraw/zinc/66/00/68/445660068.db2.gz LVGXFNRXWBQPII-CQSZACIVSA-N 2 0 339.480 1.249 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)CC2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000356245773 445696493 /nfs/dbraw/zinc/69/64/93/445696493.db2.gz QRHNSHUSRHXOTD-INIZCTEOSA-N 2 0 339.524 1.658 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000349910935 445718731 /nfs/dbraw/zinc/71/87/31/445718731.db2.gz MYXHQHWRFUKQOI-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000350118023 445772919 /nfs/dbraw/zinc/77/29/19/445772919.db2.gz OSGGCZOMHPRMMB-BRWVUGGUSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358723024 445743106 /nfs/dbraw/zinc/74/31/06/445743106.db2.gz OXXVUZFVVCKMQG-DNVCBOLYSA-N 2 0 348.491 1.482 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000358866731 445820705 /nfs/dbraw/zinc/82/07/05/445820705.db2.gz RUNRHAQCZOEXHV-YOEHRIQHSA-N 2 0 335.423 1.049 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@H](C)O1 ZINC000358855070 445812743 /nfs/dbraw/zinc/81/27/43/445812743.db2.gz LCRCQTKNDMELFP-JKIFEVAISA-N 2 0 337.439 1.484 20 0 EDADRP Cc1nccn1CCCC[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363459230 445813965 /nfs/dbraw/zinc/81/39/65/445813965.db2.gz IVDGVOGQZQDDCO-LJQANCHMSA-N 2 0 333.524 1.931 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2ccnc(C[NH3+])c2)[C@@H](C)C1 ZINC000361629029 445855668 /nfs/dbraw/zinc/85/56/68/445855668.db2.gz XGVCMYBZEKMURK-YOEHRIQHSA-N 2 0 334.464 1.407 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)c1ccnc(C[NH3+])c1 ZINC000361629617 445856953 /nfs/dbraw/zinc/85/69/53/445856953.db2.gz ZVXHDMGIDUNGDX-UHFFFAOYSA-N 2 0 339.443 1.853 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000356574956 445867275 /nfs/dbraw/zinc/86/72/75/445867275.db2.gz IAZIPQRQXKYEKC-UHFFFAOYSA-N 2 0 343.475 1.824 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000350732452 445891671 /nfs/dbraw/zinc/89/16/71/445891671.db2.gz OCKLESHRLLQEML-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000350732660 445892094 /nfs/dbraw/zinc/89/20/94/445892094.db2.gz QSZROMQFLMLQPC-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC1 ZINC000364202387 445900741 /nfs/dbraw/zinc/90/07/41/445900741.db2.gz YXYYNZKBWKDCGA-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000361736549 445906489 /nfs/dbraw/zinc/90/64/89/445906489.db2.gz VTOGPIMKASRFFL-HNNXBMFYSA-N 2 0 333.476 1.856 20 0 EDADRP COCC[C@]1(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000364850291 445963212 /nfs/dbraw/zinc/96/32/12/445963212.db2.gz KUVKNHDECYCRMY-KYHPRHEASA-N 2 0 325.497 1.485 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000354201308 445994212 /nfs/dbraw/zinc/99/42/12/445994212.db2.gz YFZUVQZUYSYZNS-UHFFFAOYSA-N 2 0 348.491 1.773 20 0 EDADRP C[N@H+](C[C@@H]1CC12CCN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738282 445949528 /nfs/dbraw/zinc/94/95/28/445949528.db2.gz UTESOVFUAJMKCR-ZDUSSCGKSA-N 2 0 343.475 1.392 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)CC1 ZINC000366126150 446030527 /nfs/dbraw/zinc/03/05/27/446030527.db2.gz MRJCMXQDBUREBB-UHFFFAOYSA-N 2 0 347.507 1.538 20 0 EDADRP COCC[NH+]1[C@H](C)CN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C[C@H]1C ZINC000366136115 446034885 /nfs/dbraw/zinc/03/48/85/446034885.db2.gz LXSFZGFAYQAZSH-MGPQQGTHSA-N 2 0 335.452 1.018 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)c1 ZINC000583555174 326094981 /nfs/dbraw/zinc/09/49/81/326094981.db2.gz HFYXWLVEAMFYRZ-QUCCMNQESA-N 2 0 345.487 1.830 20 0 EDADRP c1cc2c(cc1CN1CC[NH+](CC[C@@H]3CC[NH2+]C3)CC1)OCCO2 ZINC000583815406 326145403 /nfs/dbraw/zinc/14/54/03/326145403.db2.gz KEFHZDIEQOSEOD-INIZCTEOSA-N 2 0 331.460 1.575 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000584111428 326202092 /nfs/dbraw/zinc/20/20/92/326202092.db2.gz DFTWARNQZILWHP-XJKSGUPXSA-N 2 0 331.464 1.549 20 0 EDADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Nc1cccc(F)c1 ZINC000584291756 326236818 /nfs/dbraw/zinc/23/68/18/326236818.db2.gz GDPVKCMSWGXMRL-KRWDZBQOSA-N 2 0 337.439 1.981 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)c1ccccc1CN1CCOCC1 ZINC000356850560 446069643 /nfs/dbraw/zinc/06/96/43/446069643.db2.gz MEVPLKRRVQWAPS-HZPDHXFCSA-N 2 0 331.460 1.683 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1C ZINC000369640563 446137558 /nfs/dbraw/zinc/13/75/58/446137558.db2.gz JWDXERCFRANXHZ-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000351497126 446102735 /nfs/dbraw/zinc/10/27/35/446102735.db2.gz SWIJLFYYQXAANO-IAOVAPTHSA-N 2 0 327.428 1.732 20 0 EDADRP O=C(CC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1)Nc1ccc(Br)cc1 ZINC000359295183 446129724 /nfs/dbraw/zinc/12/97/24/446129724.db2.gz BTIGDXXLUORJID-VXGBXAGGSA-N 2 0 338.249 1.929 20 0 EDADRP CCO[C@@H]1COCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000362022128 446159616 /nfs/dbraw/zinc/15/96/16/446159616.db2.gz GHFUDFKFCREIOR-FGTMMUONSA-N 2 0 349.475 1.189 20 0 EDADRP C[C@@H]1C[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000356960076 446160360 /nfs/dbraw/zinc/16/03/60/446160360.db2.gz USSOEZYHINFSGM-SJORKVTESA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351544459 446146483 /nfs/dbraw/zinc/14/64/83/446146483.db2.gz UXOWHKKGANSCLM-GDBMZVCRSA-N 2 0 346.475 1.100 20 0 EDADRP COC(C)(C)C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369791736 446155532 /nfs/dbraw/zinc/15/55/32/446155532.db2.gz SAZLFEMPZDDALM-CABCVRRESA-N 2 0 340.512 1.658 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[C@@H]1c1cccc(Cl)c1 ZINC000366330302 446155601 /nfs/dbraw/zinc/15/56/01/446155601.db2.gz QFDVREPGUJFFTR-KBMXLJTQSA-N 2 0 337.851 1.437 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000351625803 446217903 /nfs/dbraw/zinc/21/79/03/446217903.db2.gz BRKSGXHUIPABST-MNEFBYGVSA-N 2 0 349.523 1.190 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)CC1 ZINC000366450407 446220019 /nfs/dbraw/zinc/22/00/19/446220019.db2.gz ISYOGIADVGATJE-PIIMJCKOSA-N 2 0 328.460 1.165 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000359457256 446234050 /nfs/dbraw/zinc/23/40/50/446234050.db2.gz IURMRKRUOGAQDR-RTBURBONSA-N 2 0 328.504 1.870 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000366491640 446235925 /nfs/dbraw/zinc/23/59/25/446235925.db2.gz LBBXKJMZLYXQMJ-QGZVFWFLSA-N 2 0 343.537 1.752 20 0 EDADRP CSC[C@H](O)C[N@H+](C)[C@H]1CCC[NH+](C[C@@H](O)CSC)CC1 ZINC000373600599 446277693 /nfs/dbraw/zinc/27/76/93/446277693.db2.gz DTEZKROAYQBIPZ-RRFJBIMHSA-N 2 0 336.567 1.221 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000365705098 446308704 /nfs/dbraw/zinc/30/87/04/446308704.db2.gz SZTXHMRMQUBQPA-INIZCTEOSA-N 2 0 342.528 1.595 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)N2CCOCC2)[C@@H](C)C1 ZINC000359607216 446316810 /nfs/dbraw/zinc/31/68/10/446316810.db2.gz ZPTXYWQWLKSABF-ZWKOTPCHSA-N 2 0 341.540 1.824 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417337806 446347612 /nfs/dbraw/zinc/34/76/12/446347612.db2.gz JEVHSJLUGPVKBO-MNEFBYGVSA-N 2 0 342.487 1.827 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417362392 446348261 /nfs/dbraw/zinc/34/82/61/446348261.db2.gz LDYQMCARYCLDTK-MRXNPFEDSA-N 2 0 336.480 1.800 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)C ZINC000417468997 446352866 /nfs/dbraw/zinc/35/28/66/446352866.db2.gz YSXKSYWPFKOWMU-SJORKVTESA-N 2 0 340.512 1.645 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000417517445 446360706 /nfs/dbraw/zinc/36/07/06/446360706.db2.gz QERYVWHPUDQKTR-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417523458 446361813 /nfs/dbraw/zinc/36/18/13/446361813.db2.gz HZHFVVDZXMQSLV-HNNXBMFYSA-N 2 0 334.464 1.173 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417547652 446363499 /nfs/dbraw/zinc/36/34/99/446363499.db2.gz OWVGACUMZMEPQD-MRXNPFEDSA-N 2 0 340.512 1.693 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417548704 446363730 /nfs/dbraw/zinc/36/37/30/446363730.db2.gz RNISCPOLDJOYRM-UHFFFAOYSA-N 2 0 340.512 1.837 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417546677 446364397 /nfs/dbraw/zinc/36/43/97/446364397.db2.gz MYELHGDUQMMXQZ-KRWDZBQOSA-N 2 0 348.491 1.875 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000417905445 446382783 /nfs/dbraw/zinc/38/27/83/446382783.db2.gz CIESLMDPXRYQCU-IKGGRYGDSA-N 2 0 340.512 1.379 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)N2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000417922658 446387213 /nfs/dbraw/zinc/38/72/13/446387213.db2.gz JIJIYBUNZGGEMV-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP CCn1cncc1C[NH2+][C@@H]1CCN(c2cc(OC)cc(OC)c2)C1=O ZINC000417930650 446389554 /nfs/dbraw/zinc/38/95/54/446389554.db2.gz BDVWOTUDZCHITB-QGZVFWFLSA-N 2 0 344.415 1.815 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374780108 446391733 /nfs/dbraw/zinc/39/17/33/446391733.db2.gz RSQBEMYOVYWSQX-HNNXBMFYSA-N 2 0 325.497 1.676 20 0 EDADRP CO[C@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000418059054 446427359 /nfs/dbraw/zinc/42/73/59/446427359.db2.gz SJGLLLTUROCSOX-ROUUACIJSA-N 2 0 348.491 1.438 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418070705 446430890 /nfs/dbraw/zinc/43/08/90/446430890.db2.gz HHPOTLDVXHMNRD-MRXNPFEDSA-N 2 0 334.464 1.314 20 0 EDADRP COc1ccc([C@H](N[C@@H]2CCC[N@H+](CCCO)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423147750 446440555 /nfs/dbraw/zinc/44/05/55/446440555.db2.gz SSBXDLGRBJOOSD-HOJAQTOUSA-N 2 0 347.503 1.925 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418133032 446441577 /nfs/dbraw/zinc/44/15/77/446441577.db2.gz FNMOPFIMSFTSJY-CRAIPNDOSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH2+][C@@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000420276176 446444884 /nfs/dbraw/zinc/44/48/84/446444884.db2.gz RFQHIBNSNJNEEG-LJQANCHMSA-N 2 0 344.503 1.323 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418177441 446446683 /nfs/dbraw/zinc/44/66/83/446446683.db2.gz XPXBAALKZWVQTI-AWEZNQCLSA-N 2 0 334.464 1.567 20 0 EDADRP C[NH2+]C[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279887 446448669 /nfs/dbraw/zinc/44/86/69/446448669.db2.gz XQHRJRFDGLYOAW-SJLPKXTDSA-N 2 0 332.492 1.337 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000423191453 446448996 /nfs/dbraw/zinc/44/89/96/446448996.db2.gz SYMWCIAHIMJZFU-GJZGRUSLSA-N 3 0 332.492 1.599 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417971044 446403713 /nfs/dbraw/zinc/40/37/13/446403713.db2.gz RFXAVIGWMFATEF-MRXNPFEDSA-N 2 0 333.480 1.971 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1C[C@H]2CC[C@@H](C1)C2=O ZINC000370753551 446416588 /nfs/dbraw/zinc/41/65/88/446416588.db2.gz IXTNTLKVXJVORM-SJPCQFCGSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)ccc1C[NH+](C)C ZINC000411187524 446422278 /nfs/dbraw/zinc/42/22/78/446422278.db2.gz BELUGKZDFHDOHH-AWEZNQCLSA-N 2 0 334.464 1.452 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418190064 446453910 /nfs/dbraw/zinc/45/39/10/446453910.db2.gz IVWXMISIYQGPHY-SFHVURJKSA-N 2 0 349.479 1.211 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)[C@H]1CCC[NH2+]C1 ZINC000423208732 446454001 /nfs/dbraw/zinc/45/40/01/446454001.db2.gz DNJQJMKVWNXGJO-RVSPLBMKSA-N 2 0 337.489 1.689 20 0 EDADRP COC(=O)c1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420298743 446461984 /nfs/dbraw/zinc/46/19/84/446461984.db2.gz SMSAJTUYPDLLGU-MRXNPFEDSA-N 2 0 345.443 1.117 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423262956 446468982 /nfs/dbraw/zinc/46/89/82/446468982.db2.gz ACLIDKTWBQTQEF-MDZLAQPJSA-N 2 0 328.254 1.716 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423273955 446470958 /nfs/dbraw/zinc/47/09/58/446470958.db2.gz LMTIPRTYBCAXSS-GUYCJALGSA-N 2 0 337.489 1.691 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311991 446475140 /nfs/dbraw/zinc/47/51/40/446475140.db2.gz HKKBXLYLPVSCHZ-QWRGUYRKSA-N 2 0 331.399 1.506 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423296719 446476611 /nfs/dbraw/zinc/47/66/11/446476611.db2.gz HNIFIHYEIMZXJP-MSOLQXFVSA-N 2 0 341.459 1.840 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)NCCCN1CC[NH2+]CC1)c1ccccc1 ZINC000418290644 446486214 /nfs/dbraw/zinc/48/62/14/446486214.db2.gz SFZZTKSHUDQURP-KRWDZBQOSA-N 2 0 333.480 1.061 20 0 EDADRP CC[C@H](Cn1cncn1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423333719 446491005 /nfs/dbraw/zinc/49/10/05/446491005.db2.gz OGCUBMDKWMEHLX-BPQIPLTHSA-N 2 0 329.448 1.801 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420337900 446507438 /nfs/dbraw/zinc/50/74/38/446507438.db2.gz XIYWVPBCVVELSX-GJZGRUSLSA-N 2 0 347.459 1.922 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)n1 ZINC000423375749 446509198 /nfs/dbraw/zinc/50/91/98/446509198.db2.gz IVCMUOWIOOLXSP-INIZCTEOSA-N 2 0 329.448 2.109 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420339605 446510234 /nfs/dbraw/zinc/51/02/34/446510234.db2.gz OMTVNTXTGKDUAB-CALCHBBNSA-N 2 0 331.460 1.285 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423391262 446514298 /nfs/dbraw/zinc/51/42/98/446514298.db2.gz NLGOZEINZISLGO-HUUCEWRRSA-N 2 0 333.480 1.443 20 0 EDADRP C[C@H](O)CC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000411391427 446514546 /nfs/dbraw/zinc/51/45/46/446514546.db2.gz BPGWKFDGUXABQY-INIZCTEOSA-N 2 0 325.497 1.462 20 0 EDADRP C[C@@H](C(=O)N1CCc2ccccc2C1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343882 446515839 /nfs/dbraw/zinc/51/58/39/446515839.db2.gz RYSRVWUZBOLWAN-RYQLBKOJSA-N 2 0 327.472 1.891 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423360223 446500271 /nfs/dbraw/zinc/50/02/71/446500271.db2.gz QBNIXCBHOYJIHF-LSDHHAIUSA-N 2 0 333.480 1.727 20 0 EDADRP COc1ccccc1OCC[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420382442 446558825 /nfs/dbraw/zinc/55/88/25/446558825.db2.gz PTQDXOADVZVBPH-OAHLLOKOSA-N 2 0 331.420 1.461 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)cc1 ZINC000418480383 446559851 /nfs/dbraw/zinc/55/98/51/446559851.db2.gz CIMXAAHSOPEYEP-ILXRZTDVSA-N 2 0 334.464 1.303 20 0 EDADRP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386860 446563120 /nfs/dbraw/zinc/56/31/20/446563120.db2.gz JFSIKSHYHILLCE-NXOAAHMSSA-N 2 0 335.492 1.476 20 0 EDADRP Cn1ccnc1N1CCN([C@H]2CCN(c3ccc(F)cc3)C2=O)CC1 ZINC000411400432 446519590 /nfs/dbraw/zinc/51/95/90/446519590.db2.gz NTMRFWANOQPSBI-INIZCTEOSA-N 2 0 343.406 1.487 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)CCn3ccnc3)CCC[N@@H+]2C)cn1 ZINC000370920104 446521158 /nfs/dbraw/zinc/52/11/58/446521158.db2.gz ZAHIDXYQRJYXNA-PBHICJAKSA-N 2 0 330.436 1.206 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC2CCC([NH3+])CC2)C[C@@H]1CC ZINC000418393964 446526468 /nfs/dbraw/zinc/52/64/68/446526468.db2.gz FVRIANCYQZPORA-GPANFISMSA-N 2 0 326.485 1.399 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCS(=O)(=O)c1ccc(F)cc1 ZINC000420353081 446531868 /nfs/dbraw/zinc/53/18/68/446531868.db2.gz BIEYSTRUMFGQJN-OAHLLOKOSA-N 2 0 328.453 1.967 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000433137837 446536053 /nfs/dbraw/zinc/53/60/53/446536053.db2.gz VDCFQWMCIXMIDJ-RDJZCZTQSA-N 2 0 346.475 1.553 20 0 EDADRP COc1cc(F)c(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1OC ZINC000433151625 446538765 /nfs/dbraw/zinc/53/87/65/446538765.db2.gz IYIYYGZBRXTLHP-UHFFFAOYSA-N 2 0 339.411 1.985 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000418432933 446542614 /nfs/dbraw/zinc/54/26/14/446542614.db2.gz BEZBDIJSJCJLEG-UHFFFAOYSA-N 2 0 327.517 1.219 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCNCC2(F)F)CC[NH2+]CC1 ZINC000423474068 446549968 /nfs/dbraw/zinc/54/99/68/446549968.db2.gz JHTOLXAPAVZIRO-CHWSQXEVSA-N 3 0 333.423 1.142 20 0 EDADRP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CCOCC1 ZINC000453202076 446550689 /nfs/dbraw/zinc/55/06/89/446550689.db2.gz YEUACLVVTHMDMV-QFBILLFUSA-N 2 0 348.487 1.927 20 0 EDADRP O=C(CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000420373144 446550885 /nfs/dbraw/zinc/55/08/85/446550885.db2.gz MCCDRQWMIBHNPJ-AWEZNQCLSA-N 2 0 337.851 1.615 20 0 EDADRP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000367927659 446610481 /nfs/dbraw/zinc/61/04/81/446610481.db2.gz QGIINVOVYVHRHL-SNPRPXQTSA-N 2 0 336.398 1.875 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@@H]1C[C@H](F)CN1Cc1c(C)noc1C ZINC000418625114 446620167 /nfs/dbraw/zinc/62/01/67/446620167.db2.gz ICGQSGNVWLUFSO-BPNCWPANSA-N 2 0 341.431 1.111 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC[NH2+]1 ZINC000418609437 446614778 /nfs/dbraw/zinc/61/47/78/446614778.db2.gz SMHDNZKHLSTRPQ-DDBAPUKQSA-N 2 0 346.475 1.062 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000376632367 446618128 /nfs/dbraw/zinc/61/81/28/446618128.db2.gz MCJILUOEWDVIMQ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000420401669 446575027 /nfs/dbraw/zinc/57/50/27/446575027.db2.gz POVKRIQJHYHSPC-KSZLIROESA-N 2 0 330.476 1.232 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCCCC[NH3+] ZINC000418515804 446576028 /nfs/dbraw/zinc/57/60/28/446576028.db2.gz WQLFKVOAQUOYDD-QGZVFWFLSA-N 2 0 333.480 1.816 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433465002 446576828 /nfs/dbraw/zinc/57/68/28/446576828.db2.gz FGDTVOXWZHHOJG-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529359 446581431 /nfs/dbraw/zinc/58/14/31/446581431.db2.gz TXCRPLCWDHBGBX-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420409403 446582550 /nfs/dbraw/zinc/58/25/50/446582550.db2.gz VNULWNPIQZDDHT-OLMNPRSZSA-N 2 0 328.460 1.968 20 0 EDADRP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C[NH2+]1 ZINC000420412418 446586238 /nfs/dbraw/zinc/58/62/38/446586238.db2.gz ZBSCGBAMSWTJLO-IRXDYDNUSA-N 2 0 344.503 1.581 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)C1 ZINC000418547024 446587566 /nfs/dbraw/zinc/58/75/66/446587566.db2.gz IZZFHQALEPRRDW-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N(C)CC[NH+](C)C)cc1 ZINC000418546305 446588334 /nfs/dbraw/zinc/58/83/34/446588334.db2.gz JKFWLGZMHTVQET-DLBZAZTESA-N 2 0 334.464 1.344 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418555162 446592713 /nfs/dbraw/zinc/59/27/13/446592713.db2.gz VZQPZJANWNGUSY-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@@H+](C2CC2)C1 ZINC000418567019 446598037 /nfs/dbraw/zinc/59/80/37/446598037.db2.gz AQSZMVJJLRPQJC-CQSZACIVSA-N 2 0 328.460 1.916 20 0 EDADRP C[NH+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418571818 446599273 /nfs/dbraw/zinc/59/92/73/446599273.db2.gz RZADTEWNUQRLQF-DOMZBBRYSA-N 2 0 326.391 1.271 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC(C[NH+](C)C)CC2)cc1 ZINC000433892176 446607976 /nfs/dbraw/zinc/60/79/76/446607976.db2.gz XJHSFBMIULAXHZ-UHFFFAOYSA-N 2 0 339.505 1.711 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418683217 446646731 /nfs/dbraw/zinc/64/67/31/446646731.db2.gz JOLJFZZOGNUXHE-INDMIFKZSA-N 2 0 342.487 1.868 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418682029 446646852 /nfs/dbraw/zinc/64/68/52/446646852.db2.gz ICZKDMUXXDTROI-ZWKOTPCHSA-N 2 0 330.476 1.725 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418690491 446649236 /nfs/dbraw/zinc/64/92/36/446649236.db2.gz XFBSOHOCWDOOKN-LAVFITLUSA-N 2 0 328.460 1.620 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cn2)CC1 ZINC000423719957 446657456 /nfs/dbraw/zinc/65/74/56/446657456.db2.gz CTRBVZMYEBAVAS-GOEBONIOSA-N 2 0 331.464 1.680 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)CC1 ZINC000423734378 446667408 /nfs/dbraw/zinc/66/74/08/446667408.db2.gz AUXAMBHRVHOPDZ-KZNAEPCWSA-N 2 0 336.524 1.523 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC[N@H+](C)CC3)ccc21 ZINC000453727206 446625847 /nfs/dbraw/zinc/62/58/47/446625847.db2.gz YGCYPBZNYNFYTF-KRWDZBQOSA-N 2 0 344.459 1.338 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)CN1CCOCC1 ZINC000376652429 446630103 /nfs/dbraw/zinc/63/01/03/446630103.db2.gz QFIBSGOUQOPTFG-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376780879 446714770 /nfs/dbraw/zinc/71/47/70/446714770.db2.gz ZYXSBFWXWVBWEX-WCXIOVBPSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000376780878 446715218 /nfs/dbraw/zinc/71/52/18/446715218.db2.gz ZYXSBFWXWVBWEX-QBPKDAKJSA-N 2 0 336.480 1.118 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H](C)C3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423832213 446720831 /nfs/dbraw/zinc/72/08/31/446720831.db2.gz RQNVEGOGHNOUEN-MJXNMMHHSA-N 2 0 343.471 1.945 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2CC[NH2+]CC2)cc1 ZINC000423875770 446736349 /nfs/dbraw/zinc/73/63/49/446736349.db2.gz CBWOSLUPUQWWHH-GOSISDBHSA-N 2 0 331.460 1.948 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000423749942 446680159 /nfs/dbraw/zinc/68/01/59/446680159.db2.gz WOSMBWFBVUSAFU-KURKYZTESA-N 2 0 336.524 1.523 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000418859290 446756421 /nfs/dbraw/zinc/75/64/21/446756421.db2.gz KPCFKKFWIQWHHY-IRXDYDNUSA-N 2 0 346.475 1.039 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])c1ccccc1 ZINC000418862792 446760041 /nfs/dbraw/zinc/76/00/41/446760041.db2.gz OPFTVYVEOOQJOG-ZBFHGGJFSA-N 2 0 334.464 1.039 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC(C)(C)C[C@@H]2C)C1 ZINC000412019894 446788172 /nfs/dbraw/zinc/78/81/72/446788172.db2.gz GRNIBTWAGXYLFD-HOTGVXAUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000418940167 446813319 /nfs/dbraw/zinc/81/33/19/446813319.db2.gz GNOXUTGOMJNSAI-RDJZCZTQSA-N 2 0 348.491 1.113 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418942541 446816498 /nfs/dbraw/zinc/81/64/98/446816498.db2.gz XHHRUSFWGYAIEM-UHFFFAOYSA-N 2 0 338.496 1.002 20 0 EDADRP CCC[N@H+](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018510 446824971 /nfs/dbraw/zinc/82/49/71/446824971.db2.gz JJURLNBZUJJEQQ-UHFFFAOYSA-N 3 0 332.492 1.438 20 0 EDADRP COCC[C@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000424041434 446830752 /nfs/dbraw/zinc/83/07/52/446830752.db2.gz TXLQMRUDGBYOOS-YXJHDRRASA-N 2 0 335.423 1.095 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000371403176 446832690 /nfs/dbraw/zinc/83/26/90/446832690.db2.gz KRTMLAWKHKKKMM-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP C[C@@H]1[C@H](CO)CCC[NH+]1CCOCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000412077328 446838208 /nfs/dbraw/zinc/83/82/08/446838208.db2.gz JWKFBUHKHXFKHU-FZDBZEDMSA-N 2 0 328.497 1.189 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000418989869 446851367 /nfs/dbraw/zinc/85/13/67/446851367.db2.gz CCFHDTXRAQHCLG-OAHLLOKOSA-N 2 0 346.475 1.315 20 0 EDADRP Cn1cc(C(=O)NC[C@@H]([NH3+])c2ccccc2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424078088 446841385 /nfs/dbraw/zinc/84/13/85/446841385.db2.gz PMCLEJIXVASSEA-GOEBONIOSA-N 2 0 327.432 1.317 20 0 EDADRP C[N@H+](CCCCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000418985761 446848910 /nfs/dbraw/zinc/84/89/10/446848910.db2.gz FUBYDYTVSXGXPV-MRXNPFEDSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C(C)(C)CN2CCOCC2)CC1 ZINC000412090777 446851520 /nfs/dbraw/zinc/85/15/20/446851520.db2.gz GRMFLVHYIRLLRE-UHFFFAOYSA-N 2 0 340.556 1.445 20 0 EDADRP CO[C@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000368427000 446857343 /nfs/dbraw/zinc/85/73/43/446857343.db2.gz PRIWRNVGVIPPGC-ROUUACIJSA-N 2 0 333.476 1.906 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000424137305 446859505 /nfs/dbraw/zinc/85/95/05/446859505.db2.gz BWYVIEMKWQNSAI-HZPDHXFCSA-N 2 0 346.479 1.293 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000424137301 446859599 /nfs/dbraw/zinc/85/95/99/446859599.db2.gz BWYVIEMKWQNSAI-CVEARBPZSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc(C(N)=O)cc2)CCN1C1CC[NH+](C)CC1 ZINC000371461573 446871526 /nfs/dbraw/zinc/87/15/26/446871526.db2.gz YVHFPOAWFNFZOQ-HNNXBMFYSA-N 2 0 330.476 1.386 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000377031563 446872664 /nfs/dbraw/zinc/87/26/64/446872664.db2.gz KAWAQQQIXSXEFK-PKOBYXMFSA-N 3 0 337.556 1.418 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000377080754 446907831 /nfs/dbraw/zinc/90/78/31/446907831.db2.gz VHTYQGFVJORYLW-SQNIBIBYSA-N 2 0 333.476 1.549 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1(C)C ZINC000375615359 446926364 /nfs/dbraw/zinc/92/63/64/446926364.db2.gz YXXWMXJWANBRSL-UHFFFAOYSA-N 2 0 348.491 1.500 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@@]2(CCOC2)O1 ZINC000420960504 446929417 /nfs/dbraw/zinc/92/94/17/446929417.db2.gz HXHWQSNRVHIYDZ-YLJYHZDGSA-N 2 0 346.471 1.899 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C)CC(C)C ZINC000419128196 446939284 /nfs/dbraw/zinc/93/92/84/446939284.db2.gz VNMXVOBUPNJVBW-OWCLPIDISA-N 2 0 340.512 1.116 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC(C)C ZINC000419127864 446939717 /nfs/dbraw/zinc/93/97/17/446939717.db2.gz SVUUSYVQFJPLSM-OAGGEKHMSA-N 2 0 340.512 1.245 20 0 EDADRP Cc1cc([C@H]2CCCN(CC(=O)NC3CC[NH+](C(C)C)CC3)C2)n[nH]1 ZINC000368663891 447015295 /nfs/dbraw/zinc/01/52/95/447015295.db2.gz SAJOTNHEHUFVGP-INIZCTEOSA-N 2 0 347.507 1.887 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371967567 446979309 /nfs/dbraw/zinc/97/93/09/446979309.db2.gz SHYCBZNGMOPPAX-PSOLEGPJSA-N 2 0 332.492 1.595 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCCCOC2CCCCC2)C1 ZINC000443057171 446999158 /nfs/dbraw/zinc/99/91/58/446999158.db2.gz FUABROYVTSBALF-INIZCTEOSA-N 2 0 325.497 1.903 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCN(c3ccccc3F)CC2)C1 ZINC000443058318 447000172 /nfs/dbraw/zinc/00/01/72/447000172.db2.gz KAAJFMYFPNRTCW-INIZCTEOSA-N 2 0 348.466 1.535 20 0 EDADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062358 447001747 /nfs/dbraw/zinc/00/17/47/447001747.db2.gz UNDMECIFIFDWGM-KBPBESRZSA-N 2 0 330.432 1.421 20 0 EDADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062362 447002783 /nfs/dbraw/zinc/00/27/83/447002783.db2.gz UNDMECIFIFDWGM-UONOGXRCSA-N 2 0 330.432 1.421 20 0 EDADRP O=C1C[C@@H]([NH+]2CCC(CCC[NH+]3CCCC3)CC2)C(=O)N1C1CC1 ZINC000443412789 447049731 /nfs/dbraw/zinc/04/97/31/447049731.db2.gz XJMMMIZYHSDJSN-QGZVFWFLSA-N 2 0 333.476 1.864 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000372367314 447050023 /nfs/dbraw/zinc/05/00/23/447050023.db2.gz GIDZRVSWTUXHBP-GOSISDBHSA-N 2 0 344.503 1.506 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC[N@H+](CC(C)(C)O)CC2)C1 ZINC000368720979 447065275 /nfs/dbraw/zinc/06/52/75/447065275.db2.gz CHXSKVSBRPKRHD-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000375890131 447124804 /nfs/dbraw/zinc/12/48/04/447124804.db2.gz MHDOXYRWGNKPOJ-HNNXBMFYSA-N 2 0 335.496 1.967 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H]2CCN(C(C)(C)C)C2=O)C1 ZINC000425427798 447158114 /nfs/dbraw/zinc/15/81/14/447158114.db2.gz VIHDTMOLGWBCEW-CVEARBPZSA-N 2 0 325.497 1.819 20 0 EDADRP CCCC[C@@H](C(=O)OC)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375893581 447126875 /nfs/dbraw/zinc/12/68/75/447126875.db2.gz ZZQQEIJNAHQZCJ-SJORKVTESA-N 2 0 325.497 1.819 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000375958408 447174650 /nfs/dbraw/zinc/17/46/50/447174650.db2.gz PYBKHQVYWIRPKO-QAPCUYQASA-N 2 0 339.443 1.424 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000375961095 447175656 /nfs/dbraw/zinc/17/56/56/447175656.db2.gz APHOFFFBWBHSLG-HNNXBMFYSA-N 2 0 341.521 1.233 20 0 EDADRP O=C(C[NH2+][C@@H](c1cccnc1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000445811464 447196158 /nfs/dbraw/zinc/19/61/58/447196158.db2.gz RPGQGPOXYUFKBY-LJQANCHMSA-N 2 0 328.460 1.865 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000377566533 447209565 /nfs/dbraw/zinc/20/95/65/447209565.db2.gz VFNVUUJYJWBSTC-IDCNUPLLSA-N 2 0 330.476 1.796 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419478406 447210863 /nfs/dbraw/zinc/21/08/63/447210863.db2.gz JOLWKXQAPUOTCS-HOTGVXAUSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000419432820 447172346 /nfs/dbraw/zinc/17/23/46/447172346.db2.gz YMWJEEHESVCQDY-CABCVRRESA-N 2 0 340.512 1.346 20 0 EDADRP c1nnc([C@@H]2CC[NH+](CCCCC[N@@H+]3CC[C@@H](c4nnc[nH]4)C3)C2)[nH]1 ZINC000425541560 447219985 /nfs/dbraw/zinc/21/99/85/447219985.db2.gz GHXTXBUITJGQTA-HUUCEWRRSA-N 2 0 344.467 1.372 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376041421 447229262 /nfs/dbraw/zinc/22/92/62/447229262.db2.gz GWYLJGUDRVIKKC-UHFFFAOYSA-N 2 0 336.484 2.003 20 0 EDADRP CC(=O)c1cc(C(=O)N(C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)n(C)c1 ZINC000377639745 447264793 /nfs/dbraw/zinc/26/47/93/447264793.db2.gz KOWSBKHSJBBKFY-QGZVFWFLSA-N 2 0 346.475 1.468 20 0 EDADRP CNc1nc(N2CCC[C@H](CN3CCOCC3)C2)nc2ccccc21 ZINC000450331986 447457931 /nfs/dbraw/zinc/45/79/31/447457931.db2.gz STACWLVZGZYYOZ-OAHLLOKOSA-N 2 0 341.459 2.220 20 0 EDADRP C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000495381612 447498702 /nfs/dbraw/zinc/49/87/02/447498702.db2.gz BNKIXEGKISYXRV-RVKKMQEKSA-N 2 0 341.496 1.821 20 0 EDADRP CC[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390906582 447506761 /nfs/dbraw/zinc/50/67/61/447506761.db2.gz USXVKTJNUMXHPK-QUCCMNQESA-N 2 0 345.487 1.926 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000427275956 447573954 /nfs/dbraw/zinc/57/39/54/447573954.db2.gz RDHWLRFOEKCZTE-QGZVFWFLSA-N 2 0 331.460 1.259 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000420065957 447578740 /nfs/dbraw/zinc/57/87/40/447578740.db2.gz YDBLNSFZXIDZTD-HNNXBMFYSA-N 2 0 340.512 1.262 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419991518 447532480 /nfs/dbraw/zinc/53/24/80/447532480.db2.gz DLJDGNJVIWOHLE-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP COC1(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]CC1 ZINC000398106477 447555817 /nfs/dbraw/zinc/55/58/17/447555817.db2.gz BNODITHIRSXEAS-WMZOPIPTSA-N 2 0 345.487 1.782 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000420086835 447593376 /nfs/dbraw/zinc/59/33/76/447593376.db2.gz ZMXKYRTZMJDVIT-CABCVRRESA-N 2 0 338.496 1.094 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457633655 447603968 /nfs/dbraw/zinc/60/39/68/447603968.db2.gz HBKAEOZBDDDVQI-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C[NH3+] ZINC000416838086 447694764 /nfs/dbraw/zinc/69/47/64/447694764.db2.gz ISNBHKKMNAMUJZ-NJAFHUGGSA-N 2 0 330.476 1.887 20 0 EDADRP CCCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)C1CC[NH2+]CC1 ZINC000416870075 447699362 /nfs/dbraw/zinc/69/93/62/447699362.db2.gz NXBHSZXUBHOUAJ-QGZVFWFLSA-N 2 0 340.512 1.517 20 0 EDADRP COC[C@]1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CCC[NH2+]1 ZINC000416812527 447690316 /nfs/dbraw/zinc/69/03/16/447690316.db2.gz DIFYQKIEBDPYPE-MRXNPFEDSA-N 2 0 326.485 1.319 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000422833927 447763775 /nfs/dbraw/zinc/76/37/75/447763775.db2.gz ZESWQGJRAOFXJM-MOPGFXCFSA-N 2 0 333.476 1.484 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H]1CCCC[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000416941520 447718617 /nfs/dbraw/zinc/71/86/17/447718617.db2.gz AAFQBFLMWRKVTL-ULQDDVLXSA-N 2 0 339.528 1.075 20 0 EDADRP [NH3+]CCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000422701422 447720904 /nfs/dbraw/zinc/72/09/04/447720904.db2.gz BXSBQCQQXMRGFY-ZIAGYGMSSA-N 2 0 329.366 1.762 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422714669 447725327 /nfs/dbraw/zinc/72/53/27/447725327.db2.gz RILHIEXXHBDDRC-CRAIPNDOSA-N 2 0 331.460 1.604 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CN[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000422719310 447728097 /nfs/dbraw/zinc/72/80/97/447728097.db2.gz YKJZZSCCNZPVBO-APWZRJJASA-N 2 0 335.492 1.731 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000422755553 447740918 /nfs/dbraw/zinc/74/09/18/447740918.db2.gz FUDFSQFYXDICFZ-WMZOPIPTSA-N 2 0 330.476 1.313 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(C3CCC3)CCC2)C1 ZINC000459752247 447756530 /nfs/dbraw/zinc/75/65/30/447756530.db2.gz BHHMYCPKWTYPIK-KRWDZBQOSA-N 2 0 337.508 1.772 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422820108 447758209 /nfs/dbraw/zinc/75/82/09/447758209.db2.gz OXSXZMHQTHVWDV-GBESFXJTSA-N 3 0 343.519 1.844 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422894931 447770665 /nfs/dbraw/zinc/77/06/65/447770665.db2.gz 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348.491 1.750 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000566537169 448500968 /nfs/dbraw/zinc/50/09/68/448500968.db2.gz UQOKHECDRQSJKH-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C)[NH+]2CC(C)C2)CC1 ZINC000584539633 448564539 /nfs/dbraw/zinc/56/45/39/448564539.db2.gz YPJRBRZNPRIILS-MRXNPFEDSA-N 2 0 325.497 1.676 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000573215398 448570543 /nfs/dbraw/zinc/57/05/43/448570543.db2.gz KAXIAJMBCKSICO-GOSISDBHSA-N 2 0 344.503 1.403 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000578402683 448535459 /nfs/dbraw/zinc/53/54/59/448535459.db2.gz FZWNEEVHLXPIKJ-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)sc2C1 ZINC000573245255 448578566 /nfs/dbraw/zinc/57/85/66/448578566.db2.gz TYMHMKLDGUVFQH-NWDGAFQWSA-N 2 0 346.460 1.332 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)C1 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EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530215862 449084670 /nfs/dbraw/zinc/08/46/70/449084670.db2.gz JTUVTWDOMLFEOC-WCFLWFBJSA-N 2 0 328.359 1.893 20 0 EDADRP c1cc2c(cc1C[NH+]1CCC(CO[C@@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC000530239105 449091105 /nfs/dbraw/zinc/09/11/05/449091105.db2.gz CRKLAXORBSSYIQ-HXUWFJFHSA-N 3 0 329.488 1.923 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCCCC(=O)OC)CC2)CC1 ZINC000590410718 449150384 /nfs/dbraw/zinc/15/03/84/449150384.db2.gz WRULAQJDHQKGPZ-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)n1 ZINC000600126999 449205609 /nfs/dbraw/zinc/20/56/09/449205609.db2.gz UMORNRTZOHABFP-UHFFFAOYSA-N 2 0 334.464 1.374 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)n1 ZINC000600158164 449220017 /nfs/dbraw/zinc/22/00/17/449220017.db2.gz IBRLBGSOZZGLBI-UHFFFAOYSA-N 2 0 334.464 1.374 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)n1 ZINC000600148974 449214697 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1.339 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000614431963 449605896 /nfs/dbraw/zinc/60/58/96/449605896.db2.gz HWGPOMWJAYPTDF-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602471478 449618585 /nfs/dbraw/zinc/61/85/85/449618585.db2.gz NHDCUSUIPKFDJF-CMJOXMDJSA-N 2 0 343.537 1.258 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000617506611 449655509 /nfs/dbraw/zinc/65/55/09/449655509.db2.gz SYBJZMAGQXCUCY-WMZOPIPTSA-N 2 0 338.540 1.782 20 0 EDADRP COC(=O)CC1CCC([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000599027608 449704017 /nfs/dbraw/zinc/70/40/17/449704017.db2.gz NEJCGKDSFVGSQS-PCKAHOCUSA-N 2 0 339.480 1.285 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)c21 ZINC000602586442 449688730 /nfs/dbraw/zinc/68/87/30/449688730.db2.gz BTVOTYWLMXRBNZ-HOTGVXAUSA-N 2 0 341.459 1.409 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)[C@@H](C)C1 ZINC000594926726 449810607 /nfs/dbraw/zinc/81/06/07/449810607.db2.gz UEHGSJQGDXEDSY-NNXHMXCWSA-N 2 0 326.481 1.911 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3C[C@H]3C(=O)OC)cn2)CC1 ZINC000594925177 449811198 /nfs/dbraw/zinc/81/11/98/449811198.db2.gz MCHGHMLHEZVWSX-DJIMGWMZSA-N 2 0 346.475 1.511 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000594975321 449826833 /nfs/dbraw/zinc/82/68/33/449826833.db2.gz QUWLTHCHWABBIX-BNEJOLLZSA-N 2 0 332.444 1.540 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NC(=O)NCc3ccco3)C2)CC1 ZINC000602877836 449885457 /nfs/dbraw/zinc/88/54/57/449885457.db2.gz SJKUZKOISWUELQ-UHFFFAOYSA-N 2 0 334.420 1.023 20 0 EDADRP C[C@]1(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877265 449922619 /nfs/dbraw/zinc/92/26/19/449922619.db2.gz RDAQALICLUQBPM-HKUYNNGSSA-N 2 0 330.476 1.950 20 0 EDADRP C[N@H+](CCC(=O)N1CCOC[C@@H]1[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000615271516 450036155 /nfs/dbraw/zinc/03/61/55/450036155.db2.gz XSPMGCKVHBZKDG-QZTJIDSGSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)Nc1cnn(-c3cc[nH+]cc3)c1)C2 ZINC000625864903 450523865 /nfs/dbraw/zinc/52/38/65/450523865.db2.gz RCKPFCVMOGTASP-CALCHBBNSA-N 2 0 326.404 1.731 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@@H](C)[C@H]1C ZINC000620747006 450538278 /nfs/dbraw/zinc/53/82/78/450538278.db2.gz KFBBTOCRNMNBPU-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000621010795 450572842 /nfs/dbraw/zinc/57/28/42/450572842.db2.gz JMBDIAZDMAXJPC-KRWDZBQOSA-N 2 0 336.455 1.993 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)N[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000633080549 450666701 /nfs/dbraw/zinc/66/67/01/450666701.db2.gz CVWHPKUZBRXCOR-ZWKOTPCHSA-N 2 0 330.476 1.963 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000633081507 450668025 /nfs/dbraw/zinc/66/80/25/450668025.db2.gz FSVZVDRJJZVSKD-HNNXBMFYSA-N 2 0 338.496 1.049 20 0 EDADRP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000624084741 450698503 /nfs/dbraw/zinc/69/85/03/450698503.db2.gz KOOCNSRDJKZEMO-RDJZCZTQSA-N 2 0 346.475 1.642 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000631709173 450726020 /nfs/dbraw/zinc/72/60/20/450726020.db2.gz JSUPGDGPEBKWSC-CQSZACIVSA-N 2 0 343.493 1.217 20 0 EDADRP COc1cc([C@H](C)[NH2+]CCOCCC[NH3+])ccc1S(C)(=O)=O ZINC000629541639 450727042 /nfs/dbraw/zinc/72/70/42/450727042.db2.gz SINGUMJFYZOXLX-LBPRGKRZSA-N 2 0 330.450 1.115 20 0 EDADRP O[C@@H](CNCCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555168 450733531 /nfs/dbraw/zinc/73/35/31/450733531.db2.gz YHVWTGJVFQVPMA-FQEVSTJZSA-N 2 0 346.519 1.245 20 0 EDADRP O=C(CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1)N1Cc2ccccc2C1 ZINC000629562494 450737857 /nfs/dbraw/zinc/73/78/57/450737857.db2.gz NVYZKTKOBBTSHJ-GOSISDBHSA-N 2 0 331.460 1.355 20 0 EDADRP COc1cccc(N2CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629564922 450738765 /nfs/dbraw/zinc/73/87/65/450738765.db2.gz LVPBLVQTKLYQQD-SJLPKXTDSA-N 2 0 333.476 1.710 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccnc(-c3ccccc3)c2)CC1 ZINC000629611743 450762632 /nfs/dbraw/zinc/76/26/32/450762632.db2.gz DMFHKPNTLAHOGX-IBGZPJMESA-N 2 0 340.471 1.447 20 0 EDADRP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826215 450799760 /nfs/dbraw/zinc/79/97/60/450799760.db2.gz HYEJAIZOYJGZBE-HOTGVXAUSA-N 2 0 333.480 1.943 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3CCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828296 450800659 /nfs/dbraw/zinc/80/06/59/450800659.db2.gz LCVNEZXYMOHIPQ-YUELXQCFSA-N 2 0 342.434 1.642 20 0 EDADRP [NH3+]C[C@@H]1Cc2ccccc2N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000631893025 450852832 /nfs/dbraw/zinc/85/28/32/450852832.db2.gz DSEBLFOQVNXXJB-HNNXBMFYSA-N 2 0 342.487 1.367 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000631906213 450865064 /nfs/dbraw/zinc/86/50/64/450865064.db2.gz GYUTUGUZARUDJY-UHFFFAOYSA-N 2 0 329.510 1.266 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000629912399 450879287 /nfs/dbraw/zinc/87/92/87/450879287.db2.gz GGPQYWVRVNAOCH-AEFFLSMTSA-N 2 0 349.450 1.221 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000629912400 450881349 /nfs/dbraw/zinc/88/13/49/450881349.db2.gz GGPQYWVRVNAOCH-WMZOPIPTSA-N 2 0 349.450 1.221 20 0 EDADRP C[C@H](CNS(=O)(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000631940490 450897643 /nfs/dbraw/zinc/89/76/43/450897643.db2.gz YKXPUSRQUNBIHO-OAHLLOKOSA-N 2 0 327.494 1.378 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000631943023 450900478 /nfs/dbraw/zinc/90/04/78/450900478.db2.gz LFHCMYPGGNRJAD-HOTGVXAUSA-N 2 0 329.510 1.409 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C(C)(C)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000635404316 450912956 /nfs/dbraw/zinc/91/29/56/450912956.db2.gz AFAQPYJYYTUKRG-LPHOPBHVSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCCOCCC[NH3+])[NH+]1CCC(C)CC1 ZINC000626932854 451015939 /nfs/dbraw/zinc/01/59/39/451015939.db2.gz CRNRFIGSDKVMAL-MRXNPFEDSA-N 2 0 328.501 1.408 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+](C)C)cc1OC ZINC000635525871 451023613 /nfs/dbraw/zinc/02/36/13/451023613.db2.gz FIBJWZWYNHKPKW-KKUMJFAQSA-N 2 0 348.447 1.062 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000626947690 451026344 /nfs/dbraw/zinc/02/63/44/451026344.db2.gz WTECXZZENHKMBH-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000626970897 451042422 /nfs/dbraw/zinc/04/24/22/451042422.db2.gz VVUIIIUZFYNJKF-NVXWUHKLSA-N 2 0 348.491 1.609 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000635561112 451059171 /nfs/dbraw/zinc/05/91/71/451059171.db2.gz CMDJWLCNWVAPBY-GOSISDBHSA-N 2 0 345.487 1.601 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000627013753 451078248 /nfs/dbraw/zinc/07/82/48/451078248.db2.gz RDHYPNJDENAGBX-SJLPKXTDSA-N 2 0 348.491 1.384 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627016615 451081912 /nfs/dbraw/zinc/08/19/12/451081912.db2.gz OJCLSXLAUCUZAI-MSOLQXFVSA-N 2 0 346.475 1.185 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000627017343 451082095 /nfs/dbraw/zinc/08/20/95/451082095.db2.gz GBGPZXLSECCBRV-UHFFFAOYSA-N 2 0 334.464 1.098 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000626980540 451048148 /nfs/dbraw/zinc/04/81/48/451048148.db2.gz TXBVKELTRMKMJG-UHFFFAOYSA-N 2 0 340.443 1.265 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627081449 451114006 /nfs/dbraw/zinc/11/40/06/451114006.db2.gz YOQPSSVJZRDCDG-CVEARBPZSA-N 2 0 326.485 1.304 20 0 EDADRP CC1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[NH2+]CC1 ZINC000627084895 451116492 /nfs/dbraw/zinc/11/64/92/451116492.db2.gz ZZBMGGXTHWIVIC-NWDGAFQWSA-N 2 0 336.402 1.545 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000627088135 451119437 /nfs/dbraw/zinc/11/94/37/451119437.db2.gz GBDDDTAQWAVQLM-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@@H]3CC[NH2+]C34CCC4)C2)C1 ZINC000627126635 451139941 /nfs/dbraw/zinc/13/99/41/451139941.db2.gz HUEQYCCKGANLCG-LVQVYYBASA-N 2 0 336.480 1.199 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000635704345 451184599 /nfs/dbraw/zinc/18/45/99/451184599.db2.gz UFZPZMBNMWGDBF-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000635745056 451214639 /nfs/dbraw/zinc/21/46/39/451214639.db2.gz TYBWKOJXCRWYCM-MRXNPFEDSA-N 2 0 331.460 1.924 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@@H]1c1ccccc1 ZINC000635745312 451215166 /nfs/dbraw/zinc/21/51/66/451215166.db2.gz WGIALBIOMQLTFM-ROUUACIJSA-N 2 0 345.487 1.906 20 0 EDADRP CCC[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCOC ZINC000635753933 451221272 /nfs/dbraw/zinc/22/12/72/451221272.db2.gz SUQRDGXOQGFIDV-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C[NH2+]CCO1 ZINC000638091593 451257593 /nfs/dbraw/zinc/25/75/93/451257593.db2.gz ASWRYJPJJYIFHG-LJQANCHMSA-N 2 0 347.459 1.208 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)c2oc(C[NH3+])cc2C)[C@@H](C)C1 ZINC000638118272 451286802 /nfs/dbraw/zinc/28/68/02/451286802.db2.gz WJQLECZNKFEYJG-HOCLYGCPSA-N 2 0 337.464 1.914 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCC[NH2+]1 ZINC000638117566 451284380 /nfs/dbraw/zinc/28/43/80/451284380.db2.gz MLJHHHGRMQGGKX-AZUAARDMSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000638125852 451295723 /nfs/dbraw/zinc/29/57/23/451295723.db2.gz ZGGRELMVMNCFJJ-CWLKWCNXSA-N 2 0 333.476 1.860 20 0 EDADRP COC[C@]1(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCCC[NH2+]1 ZINC000638126729 451296895 /nfs/dbraw/zinc/29/68/95/451296895.db2.gz ANHGWHPMYGHFQV-SFHVURJKSA-N 2 0 337.439 1.532 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)nc(C)n1 ZINC000640408477 451300755 /nfs/dbraw/zinc/30/07/55/451300755.db2.gz FYNGVFRYIMMGHK-INIZCTEOSA-N 2 0 348.495 1.973 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCC1C[NH2+]C1 ZINC000638138507 451313503 /nfs/dbraw/zinc/31/35/03/451313503.db2.gz CIOBUMLXIYXRRF-MRXNPFEDSA-N 2 0 330.476 1.313 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638198507 451351796 /nfs/dbraw/zinc/35/17/96/451351796.db2.gz CBXVEMBTUKWHDC-MSOLQXFVSA-N 2 0 344.503 1.756 20 0 EDADRP CC1(C)[NH2+]CC[C@H]1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638271311 451391051 /nfs/dbraw/zinc/39/10/51/451391051.db2.gz VLKNDEBXUVTMRS-SNVBAGLBSA-N 2 0 342.394 1.011 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)N1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000638276427 451394453 /nfs/dbraw/zinc/39/44/53/451394453.db2.gz FDHALSLUTKLZBK-OAHLLOKOSA-N 2 0 334.464 1.289 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000630783758 451401270 /nfs/dbraw/zinc/40/12/70/451401270.db2.gz OLCZCXWIZXJZFH-KRWDZBQOSA-N 2 0 347.438 1.617 20 0 EDADRP [NH3+]C1(c2noc(CC3([NH3+])CCN(Cc4ccccc4)CC3)n2)CCC1 ZINC000634555780 451405309 /nfs/dbraw/zinc/40/53/09/451405309.db2.gz VAOQTSURFPRFMA-UHFFFAOYSA-N 2 0 341.459 1.944 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)Nc2cc(C[NH+](C)C)ccn2)CC1 ZINC000640559560 451405455 /nfs/dbraw/zinc/40/54/55/451405455.db2.gz OVWKSFNAVXFZGI-UHFFFAOYSA-N 2 0 349.479 1.766 20 0 EDADRP COC[C@@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCCC[NH2+]1 ZINC000638289906 451406148 /nfs/dbraw/zinc/40/61/48/451406148.db2.gz VYPIMSDPMUTQRI-LJQANCHMSA-N 2 0 346.475 1.573 20 0 EDADRP C[C@H](NC(=O)[C@@]1(C)C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638306426 451421700 /nfs/dbraw/zinc/42/17/00/451421700.db2.gz CKZKQAGOVYBLOV-KVSKMBFKSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@H](NC(=O)[C@@]1(C[NH3+])CCCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638310008 451424147 /nfs/dbraw/zinc/42/41/47/451424147.db2.gz UYOPSNKNEVENGX-XKGZKEIXSA-N 2 0 345.487 1.769 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)c1 ZINC000638347391 451450663 /nfs/dbraw/zinc/45/06/63/451450663.db2.gz QUGRMGQNQGZSQE-JQHSSLGASA-N 2 0 343.402 1.787 20 0 EDADRP C[C@H](C(=O)NCC1(CNC(=O)[C@@H](C)[NH+](C)C)CCCCC1)[NH+](C)C ZINC000636030496 451451055 /nfs/dbraw/zinc/45/10/55/451451055.db2.gz VPBCAPCWFGSZQI-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H](C)O[C@H]1C ZINC000630879702 451458830 /nfs/dbraw/zinc/45/88/30/451458830.db2.gz MFOWCCDDCIESQA-YYIAUSFCSA-N 2 0 325.497 1.674 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638367727 451464453 /nfs/dbraw/zinc/46/44/53/451464453.db2.gz GRGBRNOFSCAWJD-NEPJUHHUSA-N 2 0 333.436 1.159 20 0 EDADRP C[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698931 451469823 /nfs/dbraw/zinc/46/98/23/451469823.db2.gz BKTVBHUUCTTZNM-AZUAARDMSA-N 2 0 331.504 1.945 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000638379786 451475221 /nfs/dbraw/zinc/47/52/21/451475221.db2.gz NJDBLVBWJNETFE-INIZCTEOSA-N 2 0 333.480 1.270 20 0 EDADRP C[C@](O)(C[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000634708370 451487242 /nfs/dbraw/zinc/48/72/42/451487242.db2.gz TVQGBIGSKFEXGQ-OKYOBFRVSA-N 2 0 340.508 1.256 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1c1cccc(F)c1 ZINC000638340932 451444811 /nfs/dbraw/zinc/44/48/11/451444811.db2.gz GJMKXYDGQQAQHU-DLBZAZTESA-N 2 0 331.435 1.955 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CCCC[NH2+]1 ZINC000638419427 451503758 /nfs/dbraw/zinc/50/37/58/451503758.db2.gz RUCYSHMTNQBRDJ-AEFFLSMTSA-N 2 0 333.432 1.445 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000638428751 451509731 /nfs/dbraw/zinc/50/97/31/451509731.db2.gz BCFUGUYDIPSRJB-MOPGFXCFSA-N 2 0 346.519 1.682 20 0 EDADRP c1cc(C[N@@H+]2C[C@@H]3COC[C@@H]3C2)ccc1C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780948 451543938 /nfs/dbraw/zinc/54/39/38/451543938.db2.gz DJBSHKZAUZDJCX-FGYAAKKASA-N 2 0 328.456 1.843 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCN2CCc3sccc3C2)CC1 ZINC000638407676 451495809 /nfs/dbraw/zinc/49/58/09/451495809.db2.gz HYMBUVAPXVHOSK-UHFFFAOYSA-N 2 0 337.533 1.931 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@@H](N)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000638514527 451553964 /nfs/dbraw/zinc/55/39/64/451553964.db2.gz UFYCYTOYONLQLI-OALUTQOASA-N 2 0 346.519 1.634 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])c2ccccc2)cc1 ZINC000638523515 451556785 /nfs/dbraw/zinc/55/67/85/451556785.db2.gz BTZQSKXQUWELFC-QGZVFWFLSA-N 2 0 340.427 1.617 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000638526739 451558230 /nfs/dbraw/zinc/55/82/30/451558230.db2.gz OXCSDWMCMJCZOO-INIZCTEOSA-N 2 0 346.475 1.695 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000638526776 451558358 /nfs/dbraw/zinc/55/83/58/451558358.db2.gz PSRSZZIUAYSIOF-IAGOWNOFSA-N 2 0 344.459 1.447 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3([NH3+])CCOCC3)cc2)CC1 ZINC000638539493 451568038 /nfs/dbraw/zinc/56/80/38/451568038.db2.gz ANKILCLEPQGIQJ-UHFFFAOYSA-N 2 0 346.475 1.066 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638576933 451585939 /nfs/dbraw/zinc/58/59/39/451585939.db2.gz SIATWSLFIRMTSX-ZWKOTPCHSA-N 2 0 344.503 1.627 20 0 EDADRP COCCc1ncc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)s1 ZINC000631114400 451590643 /nfs/dbraw/zinc/59/06/43/451590643.db2.gz UTBALTLQURKKKE-CQSZACIVSA-N 2 0 326.510 1.448 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000638601264 451599877 /nfs/dbraw/zinc/59/98/77/451599877.db2.gz CFWANXSWOHIOJT-OAHLLOKOSA-N 2 0 349.397 1.242 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000638602521 451600437 /nfs/dbraw/zinc/60/04/37/451600437.db2.gz NCKIRJSUCTVMHA-IBGZPJMESA-N 2 0 331.460 1.574 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCCS(=O)(=O)CC2)c1 ZINC000634953544 451621579 /nfs/dbraw/zinc/62/15/79/451621579.db2.gz CZPMENPZKRJFEQ-INIZCTEOSA-N 2 0 340.489 1.684 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1(C)C ZINC000638670560 451641700 /nfs/dbraw/zinc/64/17/00/451641700.db2.gz FECBMJBPOYETIJ-YJBOKZPZSA-N 2 0 333.432 1.640 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000632914312 451647824 /nfs/dbraw/zinc/64/78/24/451647824.db2.gz KNYUWDPUGOASQI-HRCADAONSA-N 2 0 326.485 1.255 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000635004535 451648348 /nfs/dbraw/zinc/64/83/48/451648348.db2.gz IYEVXPHVHFSJFZ-JDFRZJQESA-N 2 0 337.489 1.819 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000637001852 451672256 /nfs/dbraw/zinc/67/22/56/451672256.db2.gz OPSTWPMZZXGLJZ-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000638780804 451689219 /nfs/dbraw/zinc/68/92/19/451689219.db2.gz WTSSKKNIRSLDNF-NXHRZFHOSA-N 2 0 337.508 1.629 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCCCC[C@H]([NH3+])C3)c2)CC1 ZINC000638815093 451699150 /nfs/dbraw/zinc/69/91/50/451699150.db2.gz AAHZYSQZOFUHPH-IBGZPJMESA-N 2 0 344.503 1.778 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638833999 451705189 /nfs/dbraw/zinc/70/51/89/451705189.db2.gz BYNFPGFUVQECDP-NJAFHUGGSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000638851621 451710326 /nfs/dbraw/zinc/71/03/26/451710326.db2.gz LAWOEQFPAZNGGC-NXHRZFHOSA-N 2 0 332.492 1.150 20 0 EDADRP COc1cccc(CC2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)c1 ZINC000638859458 451713184 /nfs/dbraw/zinc/71/31/84/451713184.db2.gz IZRDDOSBRHIWOK-GOSISDBHSA-N 2 0 333.476 1.755 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCCC[C@H]3CCC[NH2+]3)cn2)CC1 ZINC000632961509 451670068 /nfs/dbraw/zinc/67/00/68/451670068.db2.gz SELKAKIAUSBQOE-CQSZACIVSA-N 2 0 334.468 1.804 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000638902505 451726333 /nfs/dbraw/zinc/72/63/33/451726333.db2.gz OTPIXBIZEYKTEJ-YQVWRLOYSA-N 2 0 349.475 1.838 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000636498672 451738489 /nfs/dbraw/zinc/73/84/89/451738489.db2.gz YPJYASHHRZBESE-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638931974 451738852 /nfs/dbraw/zinc/73/88/52/451738852.db2.gz TUPLWDMLUAREIT-WBVHZDCISA-N 2 0 330.476 1.318 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000641041346 451740002 /nfs/dbraw/zinc/74/00/02/451740002.db2.gz BAIBTKWBOINNKE-NVXWUHKLSA-N 2 0 334.464 1.739 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000638949082 451742094 /nfs/dbraw/zinc/74/20/94/451742094.db2.gz XDYYTCWOLIOLOM-SZMVWBNQSA-N 2 0 330.476 1.927 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090294 451747198 /nfs/dbraw/zinc/74/71/98/451747198.db2.gz GNICNMYKZZIWKN-IAGOWNOFSA-N 3 0 339.528 1.186 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2ccccc21 ZINC000639068636 451760868 /nfs/dbraw/zinc/76/08/68/451760868.db2.gz YMCTVMFKHOVLIB-FFHGMXDLSA-N 2 0 327.428 1.280 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000641173932 451769255 /nfs/dbraw/zinc/76/92/55/451769255.db2.gz HCAVMXBWUQBBTF-DLBZAZTESA-N 2 0 328.460 1.821 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([C@H]([NH3+])C(C)(C)C)nn1 ZINC000641215187 451784622 /nfs/dbraw/zinc/78/46/22/451784622.db2.gz OSUOFQIMRZQFDW-WBVHZDCISA-N 2 0 331.464 1.817 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000639176927 451785726 /nfs/dbraw/zinc/78/57/26/451785726.db2.gz MTOWYWLMWHCEPP-INIZCTEOSA-N 2 0 337.489 1.498 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000642006588 451805041 /nfs/dbraw/zinc/80/50/41/451805041.db2.gz QQYNYSNSQVFRAZ-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000637379858 451812579 /nfs/dbraw/zinc/81/25/79/451812579.db2.gz JUMHPFZNOKSFFU-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP Cc1nccn1C[C@H](C)C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1 ZINC000644525247 451841434 /nfs/dbraw/zinc/84/14/34/451841434.db2.gz DGNXSDRHHPXEPR-VQIMIIECSA-N 3 0 330.476 1.910 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C[C@H]1C(C)(C)C1(F)F ZINC000641315790 451838406 /nfs/dbraw/zinc/83/84/06/451838406.db2.gz JBDOYXCQPRRYOQ-LBPRGKRZSA-N 2 0 341.468 1.033 20 0 EDADRP CCOCC[C@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543649 451852520 /nfs/dbraw/zinc/85/25/20/451852520.db2.gz GNTYFGMLRMORDR-OALUTQOASA-N 2 0 335.492 1.352 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000644563247 451865039 /nfs/dbraw/zinc/86/50/39/451865039.db2.gz WKRZLLLNPWWTOP-RDTXWAMCSA-N 2 0 349.475 1.705 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(F)cc1F ZINC000644580267 451873908 /nfs/dbraw/zinc/87/39/08/451873908.db2.gz NNAQINHILQHEAO-UKRRQHHQSA-N 2 0 327.419 1.266 20 0 EDADRP C[NH+](C)[C@@]1(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)CCSC1 ZINC000644583363 451877032 /nfs/dbraw/zinc/87/70/32/451877032.db2.gz VPOIIVMNUKAVAM-QZTJIDSGSA-N 2 0 337.533 1.506 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637476354 451893751 /nfs/dbraw/zinc/89/37/51/451893751.db2.gz NYPIETMJUZGFCB-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642645414 451906466 /nfs/dbraw/zinc/90/64/66/451906466.db2.gz JZZROJODAJJALO-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639553539 451941710 /nfs/dbraw/zinc/94/17/10/451941710.db2.gz GQGGFQSSVAZPEB-QGZVFWFLSA-N 2 0 332.496 1.256 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000646926124 451941888 /nfs/dbraw/zinc/94/18/88/451941888.db2.gz YVUZDXULCHZMHZ-BZSNNMDCSA-N 2 0 328.460 1.456 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCC[NH2+]1 ZINC000649281959 451954738 /nfs/dbraw/zinc/95/47/38/451954738.db2.gz YLFRABFQURTSRZ-LJQANCHMSA-N 2 0 331.460 1.667 20 0 EDADRP COC[C@@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000649288790 451964802 /nfs/dbraw/zinc/96/48/02/451964802.db2.gz KARFJTSJOAXHJN-GOSISDBHSA-N 2 0 335.448 1.012 20 0 EDADRP CC[C@@H](CNC(=O)[C@H]1C[NH2+]CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000649292899 451969972 /nfs/dbraw/zinc/96/99/72/451969972.db2.gz KUNUDXWFPYBWEF-ROUUACIJSA-N 2 0 331.460 1.176 20 0 EDADRP COCCC1(C(=O)N2CCC(C[NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000649294345 451971813 /nfs/dbraw/zinc/97/18/13/451971813.db2.gz NSSHICDPAIQDSP-UHFFFAOYSA-N 2 0 337.508 1.727 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000649313023 451991315 /nfs/dbraw/zinc/99/13/15/451991315.db2.gz YSVNGSAKLRILEE-MRXNPFEDSA-N 2 0 349.500 1.452 20 0 EDADRP [NH3+][C@H](CC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)Cc1ccccc1 ZINC000649320980 452000011 /nfs/dbraw/zinc/00/00/11/452000011.db2.gz HJWKDBSRVQUYFV-OKZBNKHCSA-N 2 0 331.460 1.004 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000649326541 452007227 /nfs/dbraw/zinc/00/72/27/452007227.db2.gz BJHXVSSOXRVBAD-DJIMGWMZSA-N 2 0 345.491 1.586 20 0 EDADRP C[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000639664935 452008109 /nfs/dbraw/zinc/00/81/09/452008109.db2.gz TWJWLFSBFFZEAG-NSHGMRRFSA-N 2 0 347.503 1.010 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000637666648 452008312 /nfs/dbraw/zinc/00/83/12/452008312.db2.gz FZGYDTFPMNSFGL-HNNXBMFYSA-N 2 0 348.495 1.955 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336620 452018114 /nfs/dbraw/zinc/01/81/14/452018114.db2.gz JFEQQWFFBKGZSX-JFRXWTBNSA-N 2 0 345.487 1.495 20 0 EDADRP O[C@H](COCc1ccco1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682303 452021525 /nfs/dbraw/zinc/02/15/25/452021525.db2.gz RXIMHPWUXGXMCL-KRWDZBQOSA-N 2 0 331.416 1.764 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C2(CCOC)CC[NH2+]CC2)C1 ZINC000649343965 452024986 /nfs/dbraw/zinc/02/49/86/452024986.db2.gz JZSJXPWFHMTNSZ-MRXNPFEDSA-N 2 0 325.497 1.583 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856033 452030364 /nfs/dbraw/zinc/03/03/64/452030364.db2.gz HEQCFMKZCMWKOD-ZWKOTPCHSA-N 2 0 344.503 1.986 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)c(C)c2)CC1 ZINC000649348882 452032359 /nfs/dbraw/zinc/03/23/59/452032359.db2.gz BYWYUYYYZAKYKV-OLMNPRSZSA-N 2 0 328.460 1.826 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000647056312 452032913 /nfs/dbraw/zinc/03/29/13/452032913.db2.gz ZVHUKGNVJKAEJZ-DLBZAZTESA-N 2 0 328.460 1.552 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)NCc3ccccc3)CC2)C1 ZINC000643082763 452035213 /nfs/dbraw/zinc/03/52/13/452035213.db2.gz MVKUOGBFPYUWBG-MSOLQXFVSA-N 2 0 331.460 1.521 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000647087820 452053177 /nfs/dbraw/zinc/05/31/77/452053177.db2.gz NFBWURUOLABLDW-MLHJIOFPSA-N 2 0 335.492 1.367 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000647090765 452054955 /nfs/dbraw/zinc/05/49/55/452054955.db2.gz XKEFCPIGDQQUSL-INIZCTEOSA-N 3 0 330.476 1.094 20 0 EDADRP O=C([C@H]1CCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094352 452056801 /nfs/dbraw/zinc/05/68/01/452056801.db2.gz WMGDXEUPCVQUIK-OAHLLOKOSA-N 2 0 331.464 1.335 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000643216365 452076410 /nfs/dbraw/zinc/07/64/10/452076410.db2.gz NRIWSEJYSMZDMV-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP CC1([NH3+])CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000649416163 452077520 /nfs/dbraw/zinc/07/75/20/452077520.db2.gz URJKFQAKILRBAE-UHFFFAOYSA-N 2 0 344.503 1.712 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418223 452079993 /nfs/dbraw/zinc/07/99/93/452079993.db2.gz LCZMXBXGIYKPAE-BQFCYCMXSA-N 2 0 345.491 1.627 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N[C@@H]2CCN(c3ccccn3)C2)CC1 ZINC000643235431 452086658 /nfs/dbraw/zinc/08/66/58/452086658.db2.gz UPDBQKMSLJRDAD-HWOWSKLDSA-N 2 0 331.464 1.832 20 0 EDADRP OC[C@H]1CCCCC[NH+]1CCOCC[N@H+]1CCCCC[C@@H]1CO ZINC000653783862 452114290 /nfs/dbraw/zinc/11/42/90/452114290.db2.gz VOVVZRMNKDKSRL-QZTJIDSGSA-N 2 0 328.497 1.477 20 0 EDADRP CCCN1C[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1=O ZINC000643294260 452120609 /nfs/dbraw/zinc/12/06/09/452120609.db2.gz UEZZDEGFVHYQEM-KRWDZBQOSA-N 2 0 333.476 1.975 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3nnnn3CC2)cc1 ZINC000643296937 452122128 /nfs/dbraw/zinc/12/21/28/452122128.db2.gz IQSTUBCXLOCJNW-OAHLLOKOSA-N 2 0 330.436 1.108 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC2([NH+](C)C)CCCCC2)c1 ZINC000637880794 452132835 /nfs/dbraw/zinc/13/28/35/452132835.db2.gz BLMTWQGDIVCEJM-QGZVFWFLSA-N 2 0 333.476 1.946 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000645111713 452156112 /nfs/dbraw/zinc/15/61/12/452156112.db2.gz MQZFQPKWJJTSFI-JQHSSLGASA-N 2 0 337.508 1.770 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000643387310 452171043 /nfs/dbraw/zinc/17/10/43/452171043.db2.gz IOCRPLMUDJDBOP-BHUNQDJPSA-N 2 0 338.496 1.100 20 0 EDADRP COc1cc(OC)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1F ZINC000651952771 452188958 /nfs/dbraw/zinc/18/89/58/452188958.db2.gz BAXIYKHCVMMIKQ-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP COc1c[nH+]ccc1N1CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000645230940 452224490 /nfs/dbraw/zinc/22/44/90/452224490.db2.gz POVVWQWNGPYVRU-UHFFFAOYSA-N 2 0 340.431 1.668 20 0 EDADRP O=c1[nH]c2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCC[C@@H]4O)CC3)cc2[nH]1 ZINC000641738194 452228175 /nfs/dbraw/zinc/22/81/75/452228175.db2.gz BOKCIANKWTVLGX-SJORKVTESA-N 2 0 330.432 1.736 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000647486434 452230825 /nfs/dbraw/zinc/23/08/25/452230825.db2.gz PIDFCERITROGKZ-ZDUSSCGKSA-N 2 0 334.489 1.276 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000643454571 452231162 /nfs/dbraw/zinc/23/11/62/452231162.db2.gz IJSHWPXYRNFKGS-JKSUJKDBSA-N 2 0 325.478 1.343 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@H]([NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC000641745747 452233237 /nfs/dbraw/zinc/23/32/37/452233237.db2.gz ZMUKXRRTESHRIQ-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP CC[C@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC[NH2+]1 ZINC000643474866 452240544 /nfs/dbraw/zinc/24/05/44/452240544.db2.gz IUPYDXHUWRYODC-PMPSAXMXSA-N 2 0 343.479 1.461 20 0 EDADRP CC[C@@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC[NH2+]1 ZINC000643474867 452241012 /nfs/dbraw/zinc/24/10/12/452241012.db2.gz IUPYDXHUWRYODC-XHSDSOJGSA-N 2 0 343.479 1.461 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655470100 452263982 /nfs/dbraw/zinc/26/39/82/452263982.db2.gz JSNQEDDVGWWJEQ-PKOBYXMFSA-N 2 0 328.460 1.804 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH3+])N(CCOc2ccc(S(N)(=O)=O)cc2)[C@H]1C ZINC000641804079 452280485 /nfs/dbraw/zinc/28/04/85/452280485.db2.gz AKZDRTBZTHQIAP-RDBSUJKOSA-N 2 0 341.477 1.161 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659441504 452288312 /nfs/dbraw/zinc/28/83/12/452288312.db2.gz TZQPHHSGVLPCKK-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000641808384 452289416 /nfs/dbraw/zinc/28/94/16/452289416.db2.gz NCTRNVHKTMPMFQ-JFRXWTBNSA-N 2 0 346.519 1.853 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[N@H+](C)C1CC1 ZINC000659450515 452300515 /nfs/dbraw/zinc/30/05/15/452300515.db2.gz BYIIMDXATUWSBO-BMGDILEWSA-N 2 0 330.476 1.914 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638048075 452314625 /nfs/dbraw/zinc/31/46/25/452314625.db2.gz XIZSVMYURDVDSZ-UHFFFAOYSA-N 2 0 344.410 1.212 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652119553 452314851 /nfs/dbraw/zinc/31/48/51/452314851.db2.gz KMPLZOUQABEZIP-KZNAEPCWSA-N 2 0 346.475 1.266 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)C[N@@H+]1Cc1ccccc1 ZINC000659468528 452325327 /nfs/dbraw/zinc/32/53/27/452325327.db2.gz BPPYFTXTYMLLLZ-BBPFYFEFSA-N 2 0 328.460 1.782 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CCC2(C1)CCOCC2 ZINC000665759351 452325637 /nfs/dbraw/zinc/32/56/37/452325637.db2.gz DDOVSFNKRABQKH-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000659472620 452329628 /nfs/dbraw/zinc/32/96/28/452329628.db2.gz XXBGDJJJQXNLBK-ZACQAIPSSA-N 2 0 340.512 1.427 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000638053006 452331464 /nfs/dbraw/zinc/33/14/64/452331464.db2.gz DVQISHKHCLIASY-GOSISDBHSA-N 2 0 333.476 1.803 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144692 452337952 /nfs/dbraw/zinc/33/79/52/452337952.db2.gz OONVPBPTHKJWLY-ZOBUZTSGSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481591 452340815 /nfs/dbraw/zinc/34/08/15/452340815.db2.gz JAGWKUPIRHWNTA-HCMQPCSISA-N 2 0 328.460 1.640 20 0 EDADRP CC1CC[NH+](CCCNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638056192 452342050 /nfs/dbraw/zinc/34/20/50/452342050.db2.gz WXHUPEDZTUAWAP-LJQANCHMSA-N 2 0 346.519 1.684 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000657573380 452342968 /nfs/dbraw/zinc/34/29/68/452342968.db2.gz KUTAZGOUCYXFFR-INIZCTEOSA-N 2 0 344.507 1.844 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638058902 452348580 /nfs/dbraw/zinc/34/85/80/452348580.db2.gz CNRAXKMFNVNROO-SFHVURJKSA-N 2 0 332.492 1.388 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)CN2CC[NH2+]CC2)CC1 ZINC000638062637 452358973 /nfs/dbraw/zinc/35/89/73/452358973.db2.gz IADRWLUOWKHBGP-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CN1C1CC1 ZINC000657594000 452359668 /nfs/dbraw/zinc/35/96/68/452359668.db2.gz GDVBSOZNNPKNRZ-ZTNFWEORSA-N 2 0 329.488 1.968 20 0 EDADRP C[C@@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638063357 452360196 /nfs/dbraw/zinc/36/01/96/452360196.db2.gz LXKMUVIBRCJAEX-IBGZPJMESA-N 2 0 331.460 1.188 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cnc(C[NH3+])nc1)c1ccsc1 ZINC000638065719 452366207 /nfs/dbraw/zinc/36/62/07/452366207.db2.gz WKNRHWJUTJKJOE-AWEZNQCLSA-N 2 0 333.461 1.810 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000638071240 452375832 /nfs/dbraw/zinc/37/58/32/452375832.db2.gz AVCXPPNIHFWCHN-BZSNNMDCSA-N 2 0 330.476 1.189 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000659515376 452379468 /nfs/dbraw/zinc/37/94/68/452379468.db2.gz SWWSHYXTESZOTB-IAGOWNOFSA-N 2 0 334.464 1.440 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638072477 452379714 /nfs/dbraw/zinc/37/97/14/452379714.db2.gz SOFRJURNTWPJEI-LNLFQRSKSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075395 452385482 /nfs/dbraw/zinc/38/54/82/452385482.db2.gz QVMMECHEGXJXBH-SJLPKXTDSA-N 2 0 332.492 1.294 20 0 EDADRP COC[C@]1(C(=O)NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CCCC[NH2+]1 ZINC000638077408 452389851 /nfs/dbraw/zinc/38/98/51/452389851.db2.gz SBLZLZSZXGDJPE-BQFCYCMXSA-N 2 0 341.496 1.151 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659528213 452391085 /nfs/dbraw/zinc/39/10/85/452391085.db2.gz BOPFONCEVXXOHW-MRXNPFEDSA-N 2 0 345.491 1.378 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CCO1 ZINC000659543243 452401579 /nfs/dbraw/zinc/40/15/79/452401579.db2.gz FWVIUBDHZFGNAN-BRWVUGGUSA-N 2 0 340.512 1.504 20 0 EDADRP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1(=O)=O ZINC000657635898 452409864 /nfs/dbraw/zinc/40/98/64/452409864.db2.gz AHIRTTKIXRLOLR-GOEBONIOSA-N 2 0 340.489 1.682 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659554341 452411326 /nfs/dbraw/zinc/41/13/26/452411326.db2.gz MDMWRUBGOCFSKT-WBQNTZJQSA-N 2 0 334.439 1.698 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000647679248 452414332 /nfs/dbraw/zinc/41/43/32/452414332.db2.gz UQWMHYUYTLSDGW-ROUUACIJSA-N 2 0 334.508 1.290 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000663687266 452424281 /nfs/dbraw/zinc/42/42/81/452424281.db2.gz JCGHMIYJWVWMIZ-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC2([NH3+])CCCC2)CC[N@@H+]1CCOC ZINC000659573438 452429450 /nfs/dbraw/zinc/42/94/50/452429450.db2.gz NOAPOJWUEQKWRR-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659577287 452432227 /nfs/dbraw/zinc/43/22/27/452432227.db2.gz PNPAOXMFLWJIOQ-FCGDIQPGSA-N 2 0 342.487 1.773 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645484294 452455308 /nfs/dbraw/zinc/45/53/08/452455308.db2.gz DBIRJKZAZDBRBU-QGZVFWFLSA-N 2 0 330.476 1.761 20 0 EDADRP C[C@H](COc1c(F)cccc1F)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000659599316 452456046 /nfs/dbraw/zinc/45/60/46/452456046.db2.gz YHXVOJVHRPETEG-VXGBXAGGSA-N 2 0 342.390 1.016 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000659621405 452479383 /nfs/dbraw/zinc/47/93/83/452479383.db2.gz DMYQRIFUNHEBEV-GVDBMIGSSA-N 2 0 339.528 1.027 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652345523 452520458 /nfs/dbraw/zinc/52/04/58/452520458.db2.gz DFWJENRLFSVJKR-IGKNDFSCSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345979 452520814 /nfs/dbraw/zinc/52/08/14/452520814.db2.gz QIUDBKUDKURHMZ-QPSCCSFWSA-N 2 0 333.436 1.022 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)(N2CCCCC2)CC1 ZINC000647788681 452521716 /nfs/dbraw/zinc/52/17/16/452521716.db2.gz ONPJNSGKQIBMAE-IPMKNSEASA-N 3 0 334.552 1.914 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NCc3ccccc3F)C2)C1 ZINC000652346908 452522970 /nfs/dbraw/zinc/52/29/70/452522970.db2.gz LFOISJKCTVHUHS-NUJGCVRESA-N 2 0 349.450 1.660 20 0 EDADRP O=S(=O)(c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647796773 452528507 /nfs/dbraw/zinc/52/85/07/452528507.db2.gz NKVDXAHUVJDHNM-HZMVEIRTSA-N 2 0 349.500 1.427 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655717028 452535257 /nfs/dbraw/zinc/53/52/57/452535257.db2.gz SQAJIVQFYKBMKT-IBGZPJMESA-N 2 0 338.540 1.247 20 0 EDADRP COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000652359339 452538773 /nfs/dbraw/zinc/53/87/73/452538773.db2.gz GZNGHLWLIKYWEU-AWEZNQCLSA-N 2 0 349.475 1.769 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000659681929 452554769 /nfs/dbraw/zinc/55/47/69/452554769.db2.gz PTOYFRTWCSPQEE-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000663849597 452575744 /nfs/dbraw/zinc/57/57/44/452575744.db2.gz KZAAZSQZWYKXNZ-YJBOKZPZSA-N 2 0 348.491 1.393 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@H]3COC4(CCC4)C3)CC2)cc[nH+]1 ZINC000657863002 452576207 /nfs/dbraw/zinc/57/62/07/452576207.db2.gz HJJLNOIPCCZASY-QGZVFWFLSA-N 2 0 330.476 1.895 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)[C@H](C)c2ccccc2)CC1 ZINC000663849375 452576862 /nfs/dbraw/zinc/57/68/62/452576862.db2.gz LDMFIGPCISJSSS-VQIMIIECSA-N 2 0 347.503 1.730 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000659698946 452583990 /nfs/dbraw/zinc/58/39/90/452583990.db2.gz SWFQAQZBKOBVDP-DOTOQJQBSA-N 2 0 346.475 1.054 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000655805371 452586840 /nfs/dbraw/zinc/58/68/40/452586840.db2.gz GVEJPVBYZQECKA-FMKPAKJESA-N 2 0 339.505 1.928 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000645621499 452616068 /nfs/dbraw/zinc/61/60/68/452616068.db2.gz FYWUHXQHFZSMNE-NVXWUHKLSA-N 2 0 344.459 1.158 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@@H]2[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000643785037 452640489 /nfs/dbraw/zinc/64/04/89/452640489.db2.gz IDLBXVVLNXPNSV-HKCMKHECSA-N 2 0 325.815 1.935 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C1CC1 ZINC000663919453 452644689 /nfs/dbraw/zinc/64/46/89/452644689.db2.gz BTUYNQOMUTYDRQ-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000645657835 452660228 /nfs/dbraw/zinc/66/02/28/452660228.db2.gz APYNDPAMIXNITG-ADKAHSJRSA-N 2 0 333.476 1.562 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000655920656 452683577 /nfs/dbraw/zinc/68/35/77/452683577.db2.gz LUXFTUPHAQYKDE-ZDUSSCGKSA-N 2 0 336.402 1.972 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655930742 452700614 /nfs/dbraw/zinc/70/06/14/452700614.db2.gz UAUIHQZKXZEFMM-HOSYDEDBSA-N 2 0 336.358 1.898 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)C1 ZINC000664003150 452703754 /nfs/dbraw/zinc/70/37/54/452703754.db2.gz OISRUHCWNAEIRD-QGZVFWFLSA-N 3 0 341.544 1.290 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000654621686 452704354 /nfs/dbraw/zinc/70/43/54/452704354.db2.gz HXRRIVYRFXLGJM-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655936236 452706458 /nfs/dbraw/zinc/70/64/58/452706458.db2.gz BAVCBOGCTMIWAK-CYBMUJFWSA-N 2 0 325.403 1.684 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654663942 452778242 /nfs/dbraw/zinc/77/82/42/452778242.db2.gz KZVBTBNZSJVRST-GASCZTMLSA-N 2 0 326.485 1.079 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119179 452835343 /nfs/dbraw/zinc/83/53/43/452835343.db2.gz XGBNFLFWLQJHTD-GXTWGEPZSA-N 2 0 334.489 1.612 20 0 EDADRP [NH3+]Cc1ccc(C(=O)N(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)o1 ZINC000648118814 452835999 /nfs/dbraw/zinc/83/59/99/452835999.db2.gz NDLWGAFCZHGYPS-AWEZNQCLSA-N 2 0 346.456 1.979 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)N1CCN(c2cc[nH+]cc2)CC1 ZINC000654726531 452840829 /nfs/dbraw/zinc/84/08/29/452840829.db2.gz ULTXGCQYAOGOKL-ROUUACIJSA-N 2 0 343.475 1.930 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000648132434 452847049 /nfs/dbraw/zinc/84/70/49/452847049.db2.gz OTDGDKJAWYBZKE-GFCCVEGCSA-N 2 0 344.394 1.240 20 0 EDADRP CC[C@H]1CN(C(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000648163162 452872179 /nfs/dbraw/zinc/87/21/79/452872179.db2.gz ARHFBIRFBWZVDK-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP [NH3+]C1CCC(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000648178042 452888910 /nfs/dbraw/zinc/88/89/10/452888910.db2.gz LOPKRQRDTTVHEK-UHFFFAOYSA-N 3 0 344.503 1.614 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N[C@H](CO)c2ccc(F)cc2F)CC1 ZINC000662162814 452904300 /nfs/dbraw/zinc/90/43/00/452904300.db2.gz RXAMFWILWVWGEM-MLGOLLRUSA-N 2 0 341.402 1.140 20 0 EDADRP CS(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662251033 452975383 /nfs/dbraw/zinc/97/53/83/452975383.db2.gz WLLDJURGFOUAQD-AWEZNQCLSA-N 2 0 337.489 1.094 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662270702 453000537 /nfs/dbraw/zinc/00/05/37/453000537.db2.gz CGLDGPQWKZQDCY-QGZVFWFLSA-N 3 0 330.476 1.152 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662293775 453016875 /nfs/dbraw/zinc/01/68/75/453016875.db2.gz SZLIMPKJBYSHLR-QGZVFWFLSA-N 3 0 336.524 1.299 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297987 453021705 /nfs/dbraw/zinc/02/17/05/453021705.db2.gz SVQNWLGKKNBSBG-NVXWUHKLSA-N 2 0 325.497 1.629 20 0 EDADRP FC(F)(F)c1ccnc([C@@H]2CCCN2CCN2CC[NH2+]CC2)n1 ZINC000662304293 453025909 /nfs/dbraw/zinc/02/59/09/453025909.db2.gz HTBFCGPEDPAFSU-LBPRGKRZSA-N 2 0 329.370 1.538 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000666638637 453028862 /nfs/dbraw/zinc/02/88/62/453028862.db2.gz HJZCNMAHLZTBHV-IAGOWNOFSA-N 2 0 339.443 1.699 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000662337067 453053016 /nfs/dbraw/zinc/05/30/16/453053016.db2.gz JAFUGIFZAZJANY-INIZCTEOSA-N 2 0 326.448 1.594 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCN2C[C@@H](C)OC[C@H]2C)C1 ZINC000664395701 453059340 /nfs/dbraw/zinc/05/93/40/453059340.db2.gz IYNZHNSMLCQVLO-BRWVUGGUSA-N 2 0 340.512 1.373 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3cccc4c3C[NH2+]C4)nc2)CC1 ZINC000662387480 453097056 /nfs/dbraw/zinc/09/70/56/453097056.db2.gz FJYBBLSRJDGSIG-UHFFFAOYSA-N 2 0 337.427 1.689 20 0 EDADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000646087611 453097098 /nfs/dbraw/zinc/09/70/98/453097098.db2.gz FNBUTOIIZXBUGJ-MAUKXSAKSA-N 2 0 329.444 1.054 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CCOCC3)CC1 ZINC000646100177 453101770 /nfs/dbraw/zinc/10/17/70/453101770.db2.gz PAXNWQURYUODTQ-INIZCTEOSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000662395341 453107100 /nfs/dbraw/zinc/10/71/00/453107100.db2.gz SABCXPYZRLVKFH-AWEZNQCLSA-N 2 0 334.468 1.054 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1 ZINC000654995133 453112085 /nfs/dbraw/zinc/11/20/85/453112085.db2.gz VHYLKQZNEDJCNH-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[NH2+]1 ZINC000660187149 453118345 /nfs/dbraw/zinc/11/83/45/453118345.db2.gz ASLPPHKSUONKGK-INIZCTEOSA-N 2 0 325.478 1.367 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000656365657 453139730 /nfs/dbraw/zinc/13/97/30/453139730.db2.gz PVKVZFHBYJTXSZ-SJORKVTESA-N 2 0 343.431 1.075 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1cc2c(s1)CC[NH2+]C2 ZINC000662447503 453153930 /nfs/dbraw/zinc/15/39/30/453153930.db2.gz XSCDVIFWOMXPCM-UHFFFAOYSA-N 2 0 349.500 1.769 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662463314 453173291 /nfs/dbraw/zinc/17/32/91/453173291.db2.gz YDRCICNTKKZWDY-IEBWSBKVSA-N 2 0 342.487 1.459 20 0 EDADRP [NH3+][C@@H](Cc1cn(CCC[NH+]2CCSCC2)nn1)c1ccccc1 ZINC000656449908 453192093 /nfs/dbraw/zinc/19/20/93/453192093.db2.gz IZEMUFGHPAYFQM-KRWDZBQOSA-N 2 0 331.489 1.960 20 0 EDADRP C[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+]1CC(C)C1 ZINC000655069238 453192832 /nfs/dbraw/zinc/19/28/32/453192832.db2.gz RDSOUUGYPQXJAU-XYJFISCASA-N 2 0 347.507 1.602 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000662482110 453197183 /nfs/dbraw/zinc/19/71/83/453197183.db2.gz HLADLAQTUJIEHF-WMZOPIPTSA-N 2 0 333.476 1.862 20 0 EDADRP C[N@H+](CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000662490535 453207631 /nfs/dbraw/zinc/20/76/31/453207631.db2.gz QLCPXEDOWWFTOR-AWEZNQCLSA-N 2 0 345.422 1.488 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660336107 453226498 /nfs/dbraw/zinc/22/64/98/453226498.db2.gz HUELPOZQTDEJNQ-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1cc2c(s1)CC[NH2+]C2 ZINC000662526607 453246920 /nfs/dbraw/zinc/24/69/20/453246920.db2.gz AZURZWJTZYDUPC-AWEZNQCLSA-N 2 0 337.489 1.577 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000662531569 453254926 /nfs/dbraw/zinc/25/49/26/453254926.db2.gz IEDBLXSUEMLJKQ-GJZGRUSLSA-N 2 0 327.856 1.811 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106149 453286971 /nfs/dbraw/zinc/28/69/71/453286971.db2.gz VPZUYIGJJKWDNS-ZQIUZPCESA-N 2 0 335.473 1.237 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)C[C@H]1c1cccc(F)c1 ZINC000662573812 453300053 /nfs/dbraw/zinc/30/00/53/453300053.db2.gz DHDVBXNZTFALSB-ZWKOTPCHSA-N 2 0 325.387 1.996 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCC[NH2+]CC3)ccc2oc1=O ZINC000653114634 453302629 /nfs/dbraw/zinc/30/26/29/453302629.db2.gz QCLGEKVNGUCAFE-CYBMUJFWSA-N 2 0 346.431 1.484 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1cc(C3CC[NH2+]CC3)no1)CC[NH2+]CC2 ZINC000662580120 453307157 /nfs/dbraw/zinc/30/71/57/453307157.db2.gz MRLDFGWSSUFOLI-CYBMUJFWSA-N 2 0 332.448 1.746 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)Cc2ccccc2C1 ZINC000653120811 453309965 /nfs/dbraw/zinc/30/99/65/453309965.db2.gz BGBALOMMXKKULQ-QZTJIDSGSA-N 2 0 327.472 1.732 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC[N@@H+]1C ZINC000648828476 453310602 /nfs/dbraw/zinc/31/06/02/453310602.db2.gz FLQIUMXCPWGJRH-RHSMWYFYSA-N 2 0 345.491 1.891 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000662589452 453317082 /nfs/dbraw/zinc/31/70/82/453317082.db2.gz CHDCXLPHIKKGBM-GDBMZVCRSA-N 2 0 333.480 1.658 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613858 453331736 /nfs/dbraw/zinc/33/17/36/453331736.db2.gz JJIRIDKPVPPEOY-PKOBYXMFSA-N 2 0 337.508 1.901 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000648857536 453332502 /nfs/dbraw/zinc/33/25/02/453332502.db2.gz DAIVKUXNNMUFCY-FHLIZLRMSA-N 2 0 331.460 1.210 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CO2 ZINC000651185011 453337919 /nfs/dbraw/zinc/33/79/19/453337919.db2.gz VLIAAWGUXWLDIZ-MRXNPFEDSA-N 2 0 333.476 1.614 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCCc1ccc(F)c(F)c1 ZINC000664730586 453359733 /nfs/dbraw/zinc/35/97/33/453359733.db2.gz UWAPZESKYROFSI-UHFFFAOYSA-N 2 0 342.434 1.690 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)C1 ZINC000653182954 453373982 /nfs/dbraw/zinc/37/39/82/453373982.db2.gz ZOOIEJJBCIGJDN-FPAYPSAMSA-N 2 0 343.471 1.618 20 0 EDADRP COC[C@@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000660538189 453384820 /nfs/dbraw/zinc/38/48/20/453384820.db2.gz NFDDDNGDKRWSRG-WOJBJXKFSA-N 2 0 347.503 1.540 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3nc(C)cn3c2)C1 ZINC000658779721 453386050 /nfs/dbraw/zinc/38/60/50/453386050.db2.gz VXECWAODABKEMP-CQSZACIVSA-N 2 0 329.404 1.182 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662673305 453388779 /nfs/dbraw/zinc/38/87/79/453388779.db2.gz JKJKMEZOUUWLMX-GJZGRUSLSA-N 2 0 334.468 1.149 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)cc1 ZINC000662675338 453392768 /nfs/dbraw/zinc/39/27/68/453392768.db2.gz LPRMCPMVNDROOZ-UHFFFAOYSA-N 2 0 346.431 1.739 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662675933 453393699 /nfs/dbraw/zinc/39/36/99/453393699.db2.gz QYTKRASMUCJPBU-ATZDWAIDSA-N 2 0 345.487 1.899 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccsc1 ZINC000662680327 453399927 /nfs/dbraw/zinc/39/99/27/453399927.db2.gz VFTDIODMGWUJSK-RBSFLKMASA-N 2 0 325.478 1.611 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662680848 453400305 /nfs/dbraw/zinc/40/03/05/453400305.db2.gz MDPVDIMLASDZDS-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP Cn1nnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000651256279 453402093 /nfs/dbraw/zinc/40/20/93/453402093.db2.gz DLMCQVVOZIPVSI-KSZLIROESA-N 2 0 340.475 1.785 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000662687129 453408909 /nfs/dbraw/zinc/40/89/09/453408909.db2.gz UBCQKTQVRUCPHF-SUMWQHHRSA-N 2 0 341.415 1.400 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1Cl ZINC000662693689 453413495 /nfs/dbraw/zinc/41/34/95/453413495.db2.gz LJQNYKPTFAEFGU-DOMZBBRYSA-N 2 0 341.839 1.583 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000655298234 453419216 /nfs/dbraw/zinc/41/92/16/453419216.db2.gz ALSIEDINTBFXFT-KSZLIROESA-N 2 0 331.460 1.347 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662699625 453420753 /nfs/dbraw/zinc/42/07/53/453420753.db2.gz CYEQYOBOSKOUCX-CALCHBBNSA-N 2 0 348.535 1.678 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000662707279 453430574 /nfs/dbraw/zinc/43/05/74/453430574.db2.gz IOTDWKQXYNUPGG-AWEZNQCLSA-N 2 0 330.432 1.204 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662718373 453441775 /nfs/dbraw/zinc/44/17/75/453441775.db2.gz NFLYOEDGKUHPRM-HOTGVXAUSA-N 2 0 346.479 1.293 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000653261305 453443243 /nfs/dbraw/zinc/44/32/43/453443243.db2.gz QGGNMRGWZRVAJS-DSIITGHMSA-N 2 0 339.480 1.160 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662720512 453445442 /nfs/dbraw/zinc/44/54/42/453445442.db2.gz GAJYRGLAWSFORH-DLBZAZTESA-N 2 0 331.460 1.473 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)sc2C1 ZINC000662779391 453514499 /nfs/dbraw/zinc/51/44/99/453514499.db2.gz RTBDGVWCFVBWIJ-MADCSZMMSA-N 2 0 334.367 1.440 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)cc1 ZINC000662786888 453520905 /nfs/dbraw/zinc/52/09/05/453520905.db2.gz ZNEIALAHNFUZQP-QZTJIDSGSA-N 2 0 347.459 1.093 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)c1 ZINC000655443969 453532210 /nfs/dbraw/zinc/53/22/10/453532210.db2.gz FMXWCVNQWVIWDJ-HKUYNNGSSA-N 2 0 331.460 1.633 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C[NH3+] ZINC000662818465 453550035 /nfs/dbraw/zinc/55/00/35/453550035.db2.gz YQEJNSYRZJUMDB-CBBWQLFWSA-N 2 0 334.468 1.038 20 0 EDADRP COc1ccccc1[C@H](N)C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662832544 453558738 /nfs/dbraw/zinc/55/87/38/453558738.db2.gz ILWXNGRYJLEINI-QAPCUYQASA-N 2 0 347.459 1.408 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662846723 453568413 /nfs/dbraw/zinc/56/84/13/453568413.db2.gz UFTQDZBFAMOKSF-GJZGRUSLSA-N 2 0 348.495 1.443 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000659010557 453579558 /nfs/dbraw/zinc/57/95/58/453579558.db2.gz PIAXTJVVGULWNW-UHFFFAOYSA-N 2 0 344.419 1.067 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000662867551 453579606 /nfs/dbraw/zinc/57/96/06/453579606.db2.gz BSBDSODRGCUWOI-NJAFHUGGSA-N 2 0 331.460 1.647 20 0 EDADRP C[C@@H]1CN(CCNC(=O)NCC[C@H]2CCC[N@H+](C)C2)[C@H](C)CO1 ZINC000665117021 453580620 /nfs/dbraw/zinc/58/06/20/453580620.db2.gz BJCNCWKYNXPZAM-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1F ZINC000662870221 453582075 /nfs/dbraw/zinc/58/20/75/453582075.db2.gz AAJRSGLFSRLAOW-MVWRLGRASA-N 2 0 347.434 1.396 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000659019072 453584057 /nfs/dbraw/zinc/58/40/57/453584057.db2.gz MSVOOKNSMGAJEZ-KRWDZBQOSA-N 2 0 334.464 1.981 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H]1CCC[NH3+] ZINC000662893212 453590971 /nfs/dbraw/zinc/59/09/71/453590971.db2.gz VLMLNVJOLQXHKW-BFYDXBDKSA-N 2 0 348.495 1.572 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660827736 453591581 /nfs/dbraw/zinc/59/15/81/453591581.db2.gz SSLPBAAGGPIFGG-YOEHRIQHSA-N 2 0 336.480 1.023 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660828071 453591661 /nfs/dbraw/zinc/59/16/61/453591661.db2.gz USBWEMQGTNWKSA-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP CN(C(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901326 453596177 /nfs/dbraw/zinc/59/61/77/453596177.db2.gz VLEBGZZXZYXHHG-WNHJNPCNSA-N 2 0 348.535 1.534 20 0 EDADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000665263219 453629679 /nfs/dbraw/zinc/62/96/79/453629679.db2.gz IPCBZDCNEULIBQ-ARFHVFGLSA-N 2 0 344.521 1.481 20 0 EDADRP C[C@@H]1[C@H](CO)CCC[NH+]1CC1(C[N@H+]2CCC[C@@H](CO)[C@H]2C)COC1 ZINC000665270639 453631431 /nfs/dbraw/zinc/63/14/31/453631431.db2.gz KFXWIGRVZCYXMA-BDXSIMOUSA-N 2 0 340.508 1.189 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665285113 453635788 /nfs/dbraw/zinc/63/57/88/453635788.db2.gz CXYSKQGVKKYTFZ-DOIPELPJSA-N 2 0 342.531 1.780 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000665291158 453638627 /nfs/dbraw/zinc/63/86/27/453638627.db2.gz VPKKEIZHCNGMRL-XJKSGUPXSA-N 2 0 333.480 1.774 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000663004052 453643787 /nfs/dbraw/zinc/64/37/87/453643787.db2.gz OPMBBWWVIMDWSG-CABCVRRESA-N 2 0 331.464 1.338 20 0 EDADRP C[NH+](C)C1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000665537575 453736750 /nfs/dbraw/zinc/73/67/50/453736750.db2.gz SMTVAXYTAPCQID-UHFFFAOYSA-N 2 0 330.476 1.015 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CC[C@@H](O)C3)CC2)C1 ZINC000665552075 453744268 /nfs/dbraw/zinc/74/42/68/453744268.db2.gz VGWGLSUNXHWLIF-GDBMZVCRSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556555 453749221 /nfs/dbraw/zinc/74/92/21/453749221.db2.gz ZKTXNMDGAYSTOE-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663490292 453809159 /nfs/dbraw/zinc/80/91/59/453809159.db2.gz SEKBUNBISJXAIJ-UHFFFAOYSA-N 2 0 329.400 1.309 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496227 453810219 /nfs/dbraw/zinc/81/02/19/453810219.db2.gz DVBIZHORDXYGAL-CXAGYDPISA-N 2 0 336.505 1.507 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CCN(Cc3nc4c(s3)C[NH2+]CC4)CC2)C1 ZINC000663495806 453810254 /nfs/dbraw/zinc/81/02/54/453810254.db2.gz BDAGEKHLTVUERU-DZGCQCFKSA-N 2 0 336.505 1.507 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000663505338 453812082 /nfs/dbraw/zinc/81/20/82/453812082.db2.gz IBRLHAXCJFMNPD-WMZOPIPTSA-N 3 0 338.540 1.877 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415640727 486760243 /nfs/dbraw/zinc/76/02/43/486760243.db2.gz FACPABMXBVWBQU-WBVHZDCISA-N 2 0 346.475 1.853 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416941594 486789216 /nfs/dbraw/zinc/78/92/16/486789216.db2.gz AGTAPASLFZAXQD-BBWFWOEESA-N 2 0 340.512 1.693 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672900374 486834492 /nfs/dbraw/zinc/83/44/92/486834492.db2.gz YTDQBCKSLJXDFL-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000430871487 486895873 /nfs/dbraw/zinc/89/58/73/486895873.db2.gz XUGFVXAKUDQXPA-HYVNUMGLSA-N 2 0 344.459 1.450 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CCO1 ZINC000667662026 486903513 /nfs/dbraw/zinc/90/35/13/486903513.db2.gz DHJAFCDXHVQXOF-JCURWCKSSA-N 2 0 332.448 1.815 20 0 EDADRP Cc1nc(N2CC[NH+](C(C)C)CC2)cc(N2CC[NH+](C(C)C)CC2)n1 ZINC000676876276 486915843 /nfs/dbraw/zinc/91/58/43/486915843.db2.gz CNHVXVCNEZIYOZ-UHFFFAOYSA-N 2 0 346.523 1.846 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000667769551 486958471 /nfs/dbraw/zinc/95/84/71/486958471.db2.gz DGCDAOBMEWZRBM-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802959 486972849 /nfs/dbraw/zinc/97/28/49/486972849.db2.gz BYIXBWRNYJVTAT-ZDUSSCGKSA-N 2 0 347.463 1.036 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673534003 487053073 /nfs/dbraw/zinc/05/30/73/487053073.db2.gz YMVMVQOMDJJOGZ-CQSZACIVSA-N 2 0 345.443 1.681 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CC1 ZINC000673646526 487075696 /nfs/dbraw/zinc/07/56/96/487075696.db2.gz MHFWMOJYPGCNLW-UHFFFAOYSA-N 2 0 345.491 1.892 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CCSC1 ZINC000673982372 487176286 /nfs/dbraw/zinc/17/62/86/487176286.db2.gz LSRKYBMTGGKHGM-KRWDZBQOSA-N 2 0 349.504 1.351 20 0 EDADRP Cc1c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1C ZINC000684964406 487200979 /nfs/dbraw/zinc/20/09/79/487200979.db2.gz WUJIGGIRFCMGLD-UHFFFAOYSA-N 2 0 341.459 1.671 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2[nH]nc3ccccc32)CC1 ZINC000678218392 487267523 /nfs/dbraw/zinc/26/75/23/487267523.db2.gz QGLCYVSJMBFBJZ-UHFFFAOYSA-N 2 0 329.448 1.453 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000681975985 487269159 /nfs/dbraw/zinc/26/91/59/487269159.db2.gz APRUYQCKMIXZGL-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000678350127 487294598 /nfs/dbraw/zinc/29/45/98/487294598.db2.gz SZILTSUWBRIZEJ-NHCUHLMSSA-N 2 0 342.531 1.973 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000678505772 487322175 /nfs/dbraw/zinc/32/21/75/487322175.db2.gz CMJUWAKCXMQTCV-INIZCTEOSA-N 2 0 331.464 1.691 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CN(C)CCO1)c1ccc(OCC[NH+](C)C)cc1 ZINC000678602546 487340944 /nfs/dbraw/zinc/34/09/44/487340944.db2.gz YPYOUBGHXMUJRM-TXPKVOOTSA-N 2 0 335.492 1.997 20 0 EDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000679338544 487416159 /nfs/dbraw/zinc/41/61/59/487416159.db2.gz QNLNPEMEOICTKV-OAHLLOKOSA-N 2 0 328.464 1.976 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000682848806 487421826 /nfs/dbraw/zinc/42/18/26/487421826.db2.gz FCBRCDOZZXEWKA-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC[NH+](C)CC1 ZINC000675794645 487444711 /nfs/dbraw/zinc/44/47/11/487444711.db2.gz FBQWZSNZKUIJNJ-GOSISDBHSA-N 3 0 345.535 1.914 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[C@H]1[NH3+] ZINC000669547120 485537789 /nfs/dbraw/zinc/53/77/89/485537789.db2.gz FUKPWJKCWVIAJF-JKSUJKDBSA-N 2 0 349.479 1.291 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC/C=C/C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554178 485553827 /nfs/dbraw/zinc/55/38/27/485553827.db2.gz NNOSJIABUXGYMG-DJSXQKDESA-N 2 0 344.459 1.787 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669561107 485569194 /nfs/dbraw/zinc/56/91/94/485569194.db2.gz JPUQDRHWAUANON-AHCXZYCDSA-N 2 0 330.476 1.947 20 0 EDADRP CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000668347786 485614432 /nfs/dbraw/zinc/61/44/32/485614432.db2.gz DWBOZCBVQIOVFQ-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)C[C@@H](C)O1 ZINC000669121511 485701990 /nfs/dbraw/zinc/70/19/90/485701990.db2.gz ICFGVUCXTMOTRH-OBMMGQTPSA-N 2 0 346.475 1.610 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1 ZINC000584524669 485870005 /nfs/dbraw/zinc/87/00/05/485870005.db2.gz BIPXASJXKMURNZ-SFHVURJKSA-N 2 0 335.492 1.350 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000342757761 485917898 /nfs/dbraw/zinc/91/78/98/485917898.db2.gz MLKVQTSCOIRWAI-LULLPPNCSA-N 2 0 349.519 1.819 20 0 EDADRP O=C(NCC1([NH+]2CCOCC2)CCCCC1)N[C@@H]1CCC[NH2+]CC1 ZINC000668602856 485936842 /nfs/dbraw/zinc/93/68/42/485936842.db2.gz ZPEUXXTZKCLWHH-MRXNPFEDSA-N 2 0 338.496 1.463 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CCCC1 ZINC000343745178 485937300 /nfs/dbraw/zinc/93/73/00/485937300.db2.gz HBFVZARFHIYDTD-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000346561242 485997121 /nfs/dbraw/zinc/99/71/21/485997121.db2.gz GCUOSIZTQMVXKZ-KURKYZTESA-N 2 0 337.508 1.676 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(OCCCO)CC2)CC1 ZINC000669690570 486077516 /nfs/dbraw/zinc/07/75/16/486077516.db2.gz TWJPLFZHEGZINX-UHFFFAOYSA-N 2 0 327.513 1.266 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668809924 486219056 /nfs/dbraw/zinc/21/90/56/486219056.db2.gz YBMIRNTZGCDOIV-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)NCC3C[NH2+]C3)CCCCC2)CCO1 ZINC000669470724 486223281 /nfs/dbraw/zinc/22/32/81/486223281.db2.gz GWCAWWZTIYHKNC-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000669496372 486270657 /nfs/dbraw/zinc/27/06/57/486270657.db2.gz GEOVEQPMQBMHOI-QGZVFWFLSA-N 2 0 330.476 1.527 20 0 EDADRP Cn1cc(C(=O)N2CC3CCC2(C[NH3+])CC3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000516658418 486632016 /nfs/dbraw/zinc/63/20/16/486632016.db2.gz NEDBKMYWSTWAKG-TXKKKEFDSA-N 2 0 331.464 1.231 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000078740171 490997282 /nfs/dbraw/zinc/99/72/82/490997282.db2.gz NJCZULVNLFJXJE-AWEZNQCLSA-N 2 0 332.448 1.401 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000130537674 491006103 /nfs/dbraw/zinc/00/61/03/491006103.db2.gz KZYZRYVBVRYUES-MRXNPFEDSA-N 3 0 331.508 1.653 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000080059612 491170146 /nfs/dbraw/zinc/17/01/46/491170146.db2.gz CRTSPPHBGCYYFS-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)C[C@@H](C)O1 ZINC000669007213 491183813 /nfs/dbraw/zinc/18/38/13/491183813.db2.gz IWTWTSZCWMFJLO-JFIYKMOQSA-N 2 0 338.496 1.271 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000345278704 534898851 /nfs/dbraw/zinc/89/88/51/534898851.db2.gz MFAPODGUZKJRFU-INIZCTEOSA-N 2 0 334.464 1.513 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCC[NH+]2CCCCCC2)C1(C)C ZINC000188032823 528156657 /nfs/dbraw/zinc/15/66/57/528156657.db2.gz CAKLAPNLYWEKFT-YJBOKZPZSA-N 2 0 325.497 1.901 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000187175580 528535766 /nfs/dbraw/zinc/53/57/66/528535766.db2.gz HZTTWCXTXUPREN-MRXNPFEDSA-N 2 0 340.443 1.042 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000131994042 529079226 /nfs/dbraw/zinc/07/92/26/529079226.db2.gz AJNRFXKRRYTHMS-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000154325646 529145016 /nfs/dbraw/zinc/14/50/16/529145016.db2.gz ZOVHCNZPQVZQCW-KRWDZBQOSA-N 2 0 342.491 1.946 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000154327696 529145044 /nfs/dbraw/zinc/14/50/44/529145044.db2.gz PAWUJUVTMULLSH-INIZCTEOSA-N 2 0 343.479 1.341 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)cc2)CC1 ZINC000153701527 529152914 /nfs/dbraw/zinc/15/29/14/529152914.db2.gz JYHJLZAUWUJVLV-HOTGVXAUSA-N 2 0 330.476 1.651 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000261983771 535206645 /nfs/dbraw/zinc/20/66/45/535206645.db2.gz WRNOOWXHLOZGIQ-SUMWQHHRSA-N 2 0 336.455 1.738 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccccn1 ZINC000263847050 535592080 /nfs/dbraw/zinc/59/20/80/535592080.db2.gz XZADQJRDPCTLCV-SFHVURJKSA-N 2 0 332.492 1.889 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262658707 535720317 /nfs/dbraw/zinc/72/03/17/535720317.db2.gz WAWSENTVISFAGZ-DLBZAZTESA-N 2 0 330.476 1.890 20 0 EDADRP CC[C@@H](CSC)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000091100033 535767407 /nfs/dbraw/zinc/76/74/07/535767407.db2.gz AJKQVMGTEZDDOC-JKSUJKDBSA-N 2 0 345.553 1.533 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000353423846 535777673 /nfs/dbraw/zinc/77/76/73/535777673.db2.gz FOSXZHSDMSBFLH-IBGZPJMESA-N 2 0 342.491 1.594 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000353077680 535915593 /nfs/dbraw/zinc/91/55/93/535915593.db2.gz DCPCJRNDSPVYGM-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C1CCCCC1 ZINC000333864041 535983669 /nfs/dbraw/zinc/98/36/69/535983669.db2.gz QOMDZFWPQVZJLV-MJGOQNOKSA-N 2 0 337.508 1.996 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000261744327 536018509 /nfs/dbraw/zinc/01/85/09/536018509.db2.gz VGFKQEYBPDRAKT-INIZCTEOSA-N 2 0 325.478 1.416 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCCC2)c1 ZINC000123894980 536035257 /nfs/dbraw/zinc/03/52/57/536035257.db2.gz QXVBRDOHMFEOJF-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261897398 536047846 /nfs/dbraw/zinc/04/78/46/536047846.db2.gz AAIWCVKLQLBADM-UHFFFAOYSA-N 2 0 341.459 1.340 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=S)NCC[NH+](C)C ZINC000741492506 579419760 /nfs/dbraw/zinc/41/97/60/579419760.db2.gz HYTAGDGXAFCOTF-INIZCTEOSA-N 2 0 349.548 1.223 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(CC(=O)N2CCN(Cc3ccco3)CC2)C1 ZINC000731032216 578666444 /nfs/dbraw/zinc/66/64/44/578666444.db2.gz FFRIRHAVWZEDAL-QGZVFWFLSA-N 2 0 348.491 1.386 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=S)NCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000760467064 580031386 /nfs/dbraw/zinc/03/13/86/580031386.db2.gz OTFCWQCYCOMYGX-HUUCEWRRSA-N 2 0 342.553 1.292 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000734277310 578804536 /nfs/dbraw/zinc/80/45/36/578804536.db2.gz UBVVRKALJBQYLE-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220353 580459026 /nfs/dbraw/zinc/45/90/26/580459026.db2.gz DVHZFYFDMBNBDB-HZPDHXFCSA-N 2 0 340.464 1.655 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000762246744 580070573 /nfs/dbraw/zinc/07/05/73/580070573.db2.gz JYCCXZMSIQVNEK-UHFFFAOYSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H]1CC[C@@]2(CC[N@H+](CN3C(=O)NC4(CC[NH+](C)CC4)C3=O)C2)C1 ZINC000781585023 580552934 /nfs/dbraw/zinc/55/29/34/580552934.db2.gz BKBSUGNICBFNCN-RHSMWYFYSA-N 2 0 334.464 1.472 20 0 EDADRP C[C@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782184558 580568778 /nfs/dbraw/zinc/56/87/78/580568778.db2.gz TYCCTMQCKMXCLK-CYBMUJFWSA-N 2 0 325.478 1.669 20 0 EDADRP CC(C)[NH+]1CCN(CCCOC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000792203277 580813339 /nfs/dbraw/zinc/81/33/39/580813339.db2.gz JANZKUXNISYMDW-IAGOWNOFSA-N 2 0 325.497 1.819 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795945094 580941916 /nfs/dbraw/zinc/94/19/16/580941916.db2.gz VTZJNZDAYDCGMQ-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP COC(=O)/C(C)=C/C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277129 580949894 /nfs/dbraw/zinc/94/98/94/580949894.db2.gz VCADYMQZHSVONS-GIJQJNRQSA-N 2 0 345.487 1.855 20 0 EDADRP CON(C)C(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000799122811 581017426 /nfs/dbraw/zinc/01/74/26/581017426.db2.gz WOWRRJFZBHOKOR-UHFFFAOYSA-N 2 0 348.491 1.146 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)CCC(F)(F)F ZINC000891857289 590658328 /nfs/dbraw/zinc/65/83/28/590658328.db2.gz UJPRTHPXSUJUCI-OLZOCXBDSA-N 2 0 336.402 1.797 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891865418 590662253 /nfs/dbraw/zinc/66/22/53/590662253.db2.gz OVSPWGBFGFFSRA-QWHCGFSZSA-N 2 0 332.439 1.651 20 0 EDADRP COC1CCC(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000893261379 590741623 /nfs/dbraw/zinc/74/16/23/590741623.db2.gz ZBOHCOHHNYGFCG-JCYILVPMSA-N 2 0 327.513 1.874 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000892049756 590772589 /nfs/dbraw/zinc/77/25/89/590772589.db2.gz YNLWJZMFNHMBCP-JLSDUUJJSA-N 2 0 330.476 1.791 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2C[NH2+]CC[C@H]2C)c1 ZINC000892079638 590788003 /nfs/dbraw/zinc/78/80/03/590788003.db2.gz JBPCNSQRGAXVFP-COXVUDFISA-N 2 0 332.448 1.349 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@H](C)CCC[NH3+])C1 ZINC000892139290 590819396 /nfs/dbraw/zinc/81/93/96/590819396.db2.gz MYSNCQFRIFTLSE-SJLPKXTDSA-N 2 0 348.491 1.622 20 0 EDADRP O=S1CCC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000893486954 590903478 /nfs/dbraw/zinc/90/34/78/590903478.db2.gz JBHNXTRHCKLQDN-OTQYULQBSA-N 2 0 336.501 1.644 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CC[C@H]1C(F)(F)F ZINC000892453075 591033117 /nfs/dbraw/zinc/03/31/17/591033117.db2.gz IIUKBWSXOBVXTQ-KTEZZQQRSA-N 2 0 334.386 1.521 20 0 EDADRP C[C@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CCN1c1cc[nH+]cc1 ZINC000892453030 591033137 /nfs/dbraw/zinc/03/31/37/591033137.db2.gz VHFNMXXMIMNGNC-NXVRBGIVSA-N 2 0 329.448 1.668 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892489138 591046631 /nfs/dbraw/zinc/04/66/31/591046631.db2.gz FCSLSGOBLYXTRH-HNNXBMFYSA-N 2 0 340.512 1.253 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[C@H]1C(F)(F)F ZINC000891364815 591062203 /nfs/dbraw/zinc/06/22/03/591062203.db2.gz YKMWXSWVRWDUGW-FVCCEPFGSA-N 2 0 334.386 1.392 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2)N1CC[NH+](C)CC1 ZINC000892535289 591064433 /nfs/dbraw/zinc/06/44/33/591064433.db2.gz JCPPQEZSBAWQEW-IKGGRYGDSA-N 2 0 343.487 1.482 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000893761441 591080496 /nfs/dbraw/zinc/08/04/96/591080496.db2.gz DNLSXHHSVGNXDA-ZFWWWQNUSA-N 2 0 331.420 1.161 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000891472543 591082842 /nfs/dbraw/zinc/08/28/42/591082842.db2.gz NGXSLVOWHCWNFL-SFHVURJKSA-N 2 0 340.512 1.504 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892586902 591083263 /nfs/dbraw/zinc/08/32/63/591083263.db2.gz GRSBZNXCSSARRM-XLNGHYISSA-N 2 0 334.508 1.937 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892599759 591088956 /nfs/dbraw/zinc/08/89/56/591088956.db2.gz ULLRQMCMCDOTER-FJIDUMEYSA-N 2 0 334.508 1.890 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)C1 ZINC000893770559 591091990 /nfs/dbraw/zinc/09/19/90/591091990.db2.gz IHNBNRZELNIRGN-JENIJYKNSA-N 2 0 336.524 1.948 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C2CC(S(C)(=O)=O)C2)cc1 ZINC000892611647 591095708 /nfs/dbraw/zinc/09/57/08/591095708.db2.gz YQGSIKNGSZTJNG-UHFFFAOYSA-N 2 0 326.462 1.292 20 0 EDADRP COCCC1(NC(=O)NCC[N@H+](C)C2CCCC2)CC[NH2+]CC1 ZINC000891518383 591104752 /nfs/dbraw/zinc/10/47/52/591104752.db2.gz QDSMSBDHFJEGDI-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538102 591113213 /nfs/dbraw/zinc/11/32/13/591113213.db2.gz JVTDYUVUGBAJNE-OAHLLOKOSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000891605463 591146706 /nfs/dbraw/zinc/14/67/06/591146706.db2.gz FAGJJGKPEBYSKM-HOTGVXAUSA-N 2 0 337.512 1.068 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000892760506 591165635 /nfs/dbraw/zinc/16/56/35/591165635.db2.gz QEXLYDQCBCHJRO-HZPDHXFCSA-N 2 0 338.496 1.127 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892766328 591167483 /nfs/dbraw/zinc/16/74/83/591167483.db2.gz JEFLANBQVOFSDQ-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891660739 591172705 /nfs/dbraw/zinc/17/27/05/591172705.db2.gz RVKSNXJNRMPYLE-HOTGVXAUSA-N 2 0 336.480 1.025 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000892780608 591173192 /nfs/dbraw/zinc/17/31/92/591173192.db2.gz SMIJMCKJRUIRCV-OAGGEKHMSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000892789079 591179047 /nfs/dbraw/zinc/17/90/47/591179047.db2.gz KRVNGYPDBQWHOU-RTBURBONSA-N 2 0 342.487 1.875 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000892804435 591184245 /nfs/dbraw/zinc/18/42/45/591184245.db2.gz FNQKRDOPKYXMTR-QFBILLFUSA-N 2 0 342.487 1.828 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](C2CCC2)CC1 ZINC000892808185 591186733 /nfs/dbraw/zinc/18/67/33/591186733.db2.gz LTZRGVPDPUZRQF-QGZVFWFLSA-N 2 0 328.460 1.581 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891703702 591192352 /nfs/dbraw/zinc/19/23/52/591192352.db2.gz FGJGYWOHLQZOTP-OLMNPRSZSA-N 2 0 343.475 1.753 20 0 EDADRP C[C@H](NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000891764486 591215690 /nfs/dbraw/zinc/21/56/90/591215690.db2.gz FHHNSZWJZNCHMZ-MAUKXSAKSA-N 2 0 330.476 1.896 20 0 EDADRP CCc1[nH]c(C[NH2+]C[C@H](C)N2CC[NH+](CC)CC2)cc1C(=O)OC ZINC000894175791 591217919 /nfs/dbraw/zinc/21/79/19/591217919.db2.gz LWIAARGTKAENLR-AWEZNQCLSA-N 2 0 336.480 1.479 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CCCC1 ZINC000891790947 591225634 /nfs/dbraw/zinc/22/56/34/591225634.db2.gz VDMUPQPVZMSULJ-ZDUSSCGKSA-N 2 0 332.439 1.652 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000892944851 591233182 /nfs/dbraw/zinc/23/31/82/591233182.db2.gz OZPCAUZFFGTBQT-ZACQAIPSSA-N 2 0 338.496 1.101 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000895627328 591235221 /nfs/dbraw/zinc/23/52/21/591235221.db2.gz FQECYXUWYHYHBV-OWCLPIDISA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000895827570 591278069 /nfs/dbraw/zinc/27/80/69/591278069.db2.gz NEYXIJBQPJDZTB-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CC2(CO)COC2)c2c1OC(F)(F)O2 ZINC000894357931 591288814 /nfs/dbraw/zinc/28/88/14/591288814.db2.gz DNQZNBRDJPWAPP-UHFFFAOYSA-N 2 0 344.358 1.168 20 0 EDADRP CN(C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000895898909 591299208 /nfs/dbraw/zinc/29/92/08/591299208.db2.gz BYOCOGBHBNRIDP-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000896258727 591400146 /nfs/dbraw/zinc/40/01/46/591400146.db2.gz FILRVRGRKDDONV-GOSISDBHSA-N 2 0 335.492 1.574 20 0 EDADRP Cc1cn(C(C)(C)C(=O)NCC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000898578532 591417611 /nfs/dbraw/zinc/41/76/11/591417611.db2.gz BHWVBOPVYPTIEV-UHFFFAOYSA-N 2 0 348.491 1.934 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000894885980 591458512 /nfs/dbraw/zinc/45/85/12/591458512.db2.gz UBDZXWITZOHRSW-OWYHZJEWSA-N 2 0 342.487 1.995 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897469796 591471881 /nfs/dbraw/zinc/47/18/81/591471881.db2.gz RBHBFSCIBVYTGG-INIZCTEOSA-N 2 0 340.512 1.328 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@H+](C)CCN1C ZINC000896568957 591523861 /nfs/dbraw/zinc/52/38/61/591523861.db2.gz QJWSBIGWXQNDKZ-VQIMIIECSA-N 2 0 344.503 1.647 20 0 EDADRP CC(C)[C@@H](C(=O)NCC(C)(C)n1ccnc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000898901324 591586671 /nfs/dbraw/zinc/58/66/71/591586671.db2.gz HFWGLDFWROQMJH-OAGGEKHMSA-N 2 0 336.480 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]C[C@@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695948 591621117 /nfs/dbraw/zinc/62/11/17/591621117.db2.gz WJPUEKSZBYCMFT-KDOFPFPSSA-N 2 0 341.496 1.821 20 0 EDADRP Nc1nc(N2CCC(c3ccccc3)([NH+]3CCCC3)CC2)nc(N)[nH+]1 ZINC000896838916 591628148 /nfs/dbraw/zinc/62/81/48/591628148.db2.gz UQXFNYISZXDNCV-UHFFFAOYSA-N 2 0 339.447 1.628 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000899224052 591741135 /nfs/dbraw/zinc/74/11/35/591741135.db2.gz MHFHPRMGNGLTPH-AWEZNQCLSA-N 2 0 345.447 1.128 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[NH+](C)C)c1 ZINC000895461905 591765448 /nfs/dbraw/zinc/76/54/48/591765448.db2.gz QRJHJCSJYLHQGZ-AEFFLSMTSA-N 2 0 347.459 1.135 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NCC(=O)N2CCc3ccccc32)CC1 ZINC000895488779 591774744 /nfs/dbraw/zinc/77/47/44/591774744.db2.gz UAWPOYTUDHFXRP-UHFFFAOYSA-N 2 0 331.460 1.401 20 0 EDADRP C[C@H]1CN(Cc2cn(C[C@H]3CCCO3)nn2)CCN1c1cc[nH+]cc1 ZINC000895556091 591800638 /nfs/dbraw/zinc/80/06/38/591800638.db2.gz DWVJMAZULMOKES-MAUKXSAKSA-N 2 0 342.447 1.563 20 0 EDADRP Cc1cc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)c2c(n1)CCCC2 ZINC000895571404 591804250 /nfs/dbraw/zinc/80/42/50/591804250.db2.gz FJFCVVJQZAIZFS-SFHVURJKSA-N 2 0 330.476 1.698 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900007134 591865054 /nfs/dbraw/zinc/86/50/54/591865054.db2.gz JDYZPZATFTYMCS-UHFFFAOYSA-N 2 0 343.475 1.610 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023491 591871478 /nfs/dbraw/zinc/87/14/78/591871478.db2.gz MFVNPEMZNKZDBA-ROUUACIJSA-N 2 0 334.508 1.243 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000900045116 591881570 /nfs/dbraw/zinc/88/15/70/591881570.db2.gz LSODAGVALBLLIE-HXUWFJFHSA-N 2 0 345.487 1.568 20 0 EDADRP COc1c[nH]c(CO)c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1=O ZINC000902195657 591942334 /nfs/dbraw/zinc/94/23/34/591942334.db2.gz MYLVLWHFBANHEB-CXAGYDPISA-N 2 0 347.459 1.325 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900299785 591980076 /nfs/dbraw/zinc/98/00/76/591980076.db2.gz JWCDWFJJVSGMJE-PKOBYXMFSA-N 2 0 333.476 1.122 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900339109 591988992 /nfs/dbraw/zinc/98/89/92/591988992.db2.gz LJQXKGYWBLWTNR-MAUKXSAKSA-N 2 0 325.497 1.460 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)C1 ZINC000902400232 591990557 /nfs/dbraw/zinc/99/05/57/591990557.db2.gz YXOKHBQWCLSERR-ROUUACIJSA-N 2 0 332.492 1.650 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCN2Cc3ccccc3OCC2=O)C1 ZINC000902402823 591991146 /nfs/dbraw/zinc/99/11/46/591991146.db2.gz FEDUCIRSLSJJQX-MRXNPFEDSA-N 2 0 331.460 1.775 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000900327464 591991545 /nfs/dbraw/zinc/99/15/45/591991545.db2.gz ZFCVJSWAZSRLQO-MJGOQNOKSA-N 2 0 337.508 1.556 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902518124 592009816 /nfs/dbraw/zinc/00/98/16/592009816.db2.gz KTYDZDRSPVSTKM-BBKRWKNMSA-N 2 0 337.855 1.520 20 0 EDADRP COc1c(C)cnc(CNC(=O)c2ccnn2CC[NH+](C)C)c1C ZINC000900444332 592028711 /nfs/dbraw/zinc/02/87/11/592028711.db2.gz JBYAUTUHACTGMZ-UHFFFAOYSA-N 2 0 331.420 1.395 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC1 ZINC000900518507 592043857 /nfs/dbraw/zinc/04/38/57/592043857.db2.gz DZNLBCGEXJSZIO-UHFFFAOYSA-N 2 0 342.447 1.622 20 0 EDADRP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669029 592086857 /nfs/dbraw/zinc/08/68/57/592086857.db2.gz HJPWVUJYLOOLHE-GBESFXJTSA-N 2 0 348.535 1.630 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)CC(C)C ZINC000900685452 592093812 /nfs/dbraw/zinc/09/38/12/592093812.db2.gz TUACXXVKCAJOJX-SJLPKXTDSA-N 2 0 327.513 1.706 20 0 EDADRP CN(C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000900709488 592101610 /nfs/dbraw/zinc/10/16/10/592101610.db2.gz ZDWRYGDFMVTEGJ-UYAOXDASSA-N 2 0 345.487 1.565 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900733424 592112006 /nfs/dbraw/zinc/11/20/06/592112006.db2.gz DSEKLFPKSUZXNO-ZTNFWEORSA-N 2 0 345.487 1.783 20 0 EDADRP Cc1nc2n(c1C)CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000900777927 592121159 /nfs/dbraw/zinc/12/11/59/592121159.db2.gz WNSRCINUGJNBFF-UHFFFAOYSA-N 2 0 347.507 1.648 20 0 EDADRP Cc1nc([C@@H]2C[C@@H](O)[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC3)C2)n[nH]1 ZINC000903205125 592137131 /nfs/dbraw/zinc/13/71/31/592137131.db2.gz CUWZYQBZYAJPQE-DHSXIMMHSA-N 2 0 345.491 1.715 20 0 EDADRP C[C@@H]([NH2+]CCCc1nnnn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000903343923 592156059 /nfs/dbraw/zinc/15/60/59/592156059.db2.gz KZNWHKXIIZEUES-CQSZACIVSA-N 2 0 332.452 1.434 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900885826 592156789 /nfs/dbraw/zinc/15/67/89/592156789.db2.gz MKCIHMKGAJHONK-SFHVURJKSA-N 2 0 338.540 1.593 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000903437149 592170036 /nfs/dbraw/zinc/17/00/36/592170036.db2.gz GDMANMQNZHDJLR-SCTDSRPQSA-N 2 0 342.487 1.537 20 0 EDADRP Cc1cc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000900975512 592183264 /nfs/dbraw/zinc/18/32/64/592183264.db2.gz ODLXBKJOJCMLPR-GOSISDBHSA-N 2 0 349.479 1.244 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1cccc(C)c1)C2 ZINC000903490999 592184648 /nfs/dbraw/zinc/18/46/48/592184648.db2.gz QJFYJPUMTLUAIY-IYOUNJFTSA-N 2 0 331.416 1.146 20 0 EDADRP CCO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903508464 592189462 /nfs/dbraw/zinc/18/94/62/592189462.db2.gz HTWOHNTWUKCITF-BMFZPTHFSA-N 2 0 349.479 1.568 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000906677119 592257775 /nfs/dbraw/zinc/25/77/75/592257775.db2.gz JTQJCOIANSFNKB-ROUUACIJSA-N 2 0 338.540 1.498 20 0 EDADRP O=C(NCc1nc(CN2CCCCC2)no1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908009080 592260218 /nfs/dbraw/zinc/26/02/18/592260218.db2.gz CZWCZNPTTRTNEX-GJZGRUSLSA-N 2 0 347.463 1.689 20 0 EDADRP O=C(NCc1nc(CN2CCCCC2)no1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908009081 592260427 /nfs/dbraw/zinc/26/04/27/592260427.db2.gz CZWCZNPTTRTNEX-HUUCEWRRSA-N 2 0 347.463 1.689 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000901156852 592265210 /nfs/dbraw/zinc/26/52/10/592265210.db2.gz IEFJOSSTMVKVHD-WBVHZDCISA-N 2 0 345.491 1.534 20 0 EDADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903732458 592288477 /nfs/dbraw/zinc/28/84/77/592288477.db2.gz DWFJNRUHSNTCPN-GJYPPUQNSA-N 2 0 341.459 1.677 20 0 EDADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000903753570 592296752 /nfs/dbraw/zinc/29/67/52/592296752.db2.gz WKSMYIHECWNQNR-DAYGRLMNSA-N 2 0 331.464 1.630 20 0 EDADRP CCOC(=O)N1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903753103 592296892 /nfs/dbraw/zinc/29/68/92/592296892.db2.gz RFRXJGDMPHWFPY-OAHLLOKOSA-N 2 0 325.453 1.309 20 0 EDADRP CCO[C@@H]1C[C@H](O)C12CC[NH+](C[C@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903734452 592297736 /nfs/dbraw/zinc/29/77/36/592297736.db2.gz QXLJZWKFCAZLMU-IXDOHACOSA-N 2 0 338.492 1.397 20 0 EDADRP Fc1cccc(CN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903753831 592299188 /nfs/dbraw/zinc/29/91/88/592299188.db2.gz YQEIRVKXEGYLGO-MOPGFXCFSA-N 2 0 333.451 1.712 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000906736448 592302632 /nfs/dbraw/zinc/30/26/32/592302632.db2.gz AEEUVJUBCUPTJU-MRXNPFEDSA-N 2 0 346.475 1.378 20 0 EDADRP Cc1nc(C)n(C[C@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903740620 592303566 /nfs/dbraw/zinc/30/35/66/592303566.db2.gz XZETVCKOCUUUQC-ROUUACIJSA-N 2 0 347.507 1.766 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCCC[C@H]3C[NH3+])n2)CC1 ZINC000904691201 592306452 /nfs/dbraw/zinc/30/64/52/592306452.db2.gz DGAFIJURDYHVAK-DZGCQCFKSA-N 2 0 349.479 1.397 20 0 EDADRP CC(C)CCOCCNC(=O)C[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903790684 592315853 /nfs/dbraw/zinc/31/58/53/592315853.db2.gz VLJSEEIWPFVCHS-UHFFFAOYSA-N 2 0 327.513 1.862 20 0 EDADRP C(C1CCOCC1)[C@@H]1COCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903849607 592344808 /nfs/dbraw/zinc/34/48/08/592344808.db2.gz DZTIEFSUDQIQST-MSOLQXFVSA-N 2 0 338.492 1.663 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C(=O)NCC(C)C)CC2)cnn1C ZINC000903878910 592360081 /nfs/dbraw/zinc/36/00/81/592360081.db2.gz NDVGGNWHWHJBRD-MRXNPFEDSA-N 2 0 349.523 1.330 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[N@H+](C[C@@H]3CCCO3)CC2)cnn1C ZINC000903880078 592360462 /nfs/dbraw/zinc/36/04/62/592360462.db2.gz NYCPRMPGNFAICL-HKUYNNGSSA-N 2 0 349.523 1.033 20 0 EDADRP CCOC(=O)CC1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903882994 592361600 /nfs/dbraw/zinc/36/16/00/592361600.db2.gz DITLYFIIVNNLMK-INIZCTEOSA-N 2 0 336.480 1.511 20 0 EDADRP CC[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1N1CCOCC1 ZINC000903915081 592365663 /nfs/dbraw/zinc/36/56/63/592365663.db2.gz XYZFDGWNXSMXLF-OXQOHEQNSA-N 2 0 329.488 1.875 20 0 EDADRP Cn1ccnc1[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CCN1C ZINC000903913596 592376176 /nfs/dbraw/zinc/37/61/76/592376176.db2.gz PURPZEKOJOTEFD-SFHVURJKSA-N 2 0 325.460 1.555 20 0 EDADRP c1cnn(-c2cc(C[NH2+]Cc3cnnn3[C@@H]3CCC[NH2+]C3)ccn2)c1 ZINC000903922918 592378453 /nfs/dbraw/zinc/37/84/53/592378453.db2.gz HJGGAMFVFJZFBJ-OAHLLOKOSA-N 2 0 338.419 1.073 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cnn1C ZINC000903929070 592382083 /nfs/dbraw/zinc/38/20/83/592382083.db2.gz AEBLRLAEUAOIEH-ATZDWAIDSA-N 3 0 349.523 1.064 20 0 EDADRP CC(C)(C)OC(=O)N1CC(CCO)([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903930217 592382344 /nfs/dbraw/zinc/38/23/44/592382344.db2.gz VCIAAOHGBHNGIM-GOOCMWNKSA-N 2 0 339.480 1.479 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+]CC3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)nn1 ZINC000903937789 592388162 /nfs/dbraw/zinc/38/81/62/592388162.db2.gz RJLLZIQWQBJMIW-MQVJKMGUSA-N 3 0 326.448 1.346 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCSC3(CCOCC3)C2)cnn1C ZINC000903916881 592389415 /nfs/dbraw/zinc/38/94/15/592389415.db2.gz VWZYGIJSRKUFLE-OAHLLOKOSA-N 2 0 338.521 1.444 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098493 592404338 /nfs/dbraw/zinc/40/43/38/592404338.db2.gz SWBPVCLQJLLHFO-MOPGFXCFSA-N 2 0 332.488 1.807 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CC2(CO)CCCC2)CC1 ZINC000905113114 592412579 /nfs/dbraw/zinc/41/25/79/592412579.db2.gz XWBFSGPYUPCFOG-ZWKOTPCHSA-N 2 0 341.540 1.153 20 0 EDADRP O[C@H](C[NH2+]C1CCC([NH+]2CCCCC2)CC1)C[C@@]1(O)CCOC1 ZINC000905154004 592422910 /nfs/dbraw/zinc/42/29/10/592422910.db2.gz MVNZLBQXHCVSGE-FOIPXRHGSA-N 2 0 326.481 1.276 20 0 EDADRP CSC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+](C)CC1 ZINC000908286681 592425389 /nfs/dbraw/zinc/42/53/89/592425389.db2.gz YHSQDWUMEOOMHD-HUUCEWRRSA-N 2 0 325.522 1.947 20 0 EDADRP COCCCN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C1CC[NH+](C)CC1 ZINC000908292867 592435092 /nfs/dbraw/zinc/43/50/92/592435092.db2.gz BRQNXWLGGOATCC-MRXNPFEDSA-N 2 0 325.497 1.819 20 0 EDADRP OCC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000905176001 592456112 /nfs/dbraw/zinc/45/61/12/592456112.db2.gz PLFCHYBARRBDLH-BZSNNMDCSA-N 2 0 340.508 1.258 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334840 592508958 /nfs/dbraw/zinc/50/89/58/592508958.db2.gz DCRSTMSPDDAEBH-OAHLLOKOSA-N 2 0 345.553 1.806 20 0 EDADRP CCOC(=O)c1cccnc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905702357 592615351 /nfs/dbraw/zinc/61/53/51/592615351.db2.gz DZPAOQLLGOVGGA-IYBDPMFKSA-N 2 0 344.459 1.663 20 0 EDADRP C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905867030 592660900 /nfs/dbraw/zinc/66/09/00/592660900.db2.gz MFVXWBMKUYTPNI-BXWFABGCSA-N 2 0 345.487 1.780 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000909212549 592771095 /nfs/dbraw/zinc/77/10/95/592771095.db2.gz OVFLWCAYDZVVMB-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)C[C@]3(O)CCC[N@H+](C)C3)cccc21 ZINC000907844966 592824809 /nfs/dbraw/zinc/82/48/09/592824809.db2.gz VEYHUQAGKYCVRK-QFBILLFUSA-N 2 0 347.459 1.857 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CC3(CCN3Cc3ccccc3)C2)C1 ZINC000910785677 592891775 /nfs/dbraw/zinc/89/17/75/592891775.db2.gz GISLKVFKBUMJCS-KRWDZBQOSA-N 2 0 329.444 1.194 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)C1 ZINC000911569404 592950722 /nfs/dbraw/zinc/95/07/22/592950722.db2.gz RZYYZCIEVPQPLJ-CEXWTWQISA-N 2 0 343.471 1.585 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]([NH3+])Cc1cc[nH]n1)c1ccccc1 ZINC000911632699 592970578 /nfs/dbraw/zinc/97/05/78/592970578.db2.gz JGKCUXUWKXEGFU-SJORKVTESA-N 2 0 329.448 1.479 20 0 EDADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911735253 592992823 /nfs/dbraw/zinc/99/28/23/592992823.db2.gz WBSLJJZVZOWIPN-FQEVSTJZSA-N 2 0 339.439 1.613 20 0 EDADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911817307 593022436 /nfs/dbraw/zinc/02/24/36/593022436.db2.gz GZCTUJPOILCXBV-QFBILLFUSA-N 2 0 331.460 1.819 20 0 EDADRP CCOc1ccccc1[C@H]([NH3+])CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911876114 593029361 /nfs/dbraw/zinc/02/93/61/593029361.db2.gz XYYQVICUTLGUHC-QGZVFWFLSA-N 2 0 349.475 1.832 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000912592130 593106947 /nfs/dbraw/zinc/10/69/47/593106947.db2.gz WPKOSRGCERKQTH-MRXNPFEDSA-N 2 0 325.497 1.460 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C1)C2=O ZINC000840116924 593200133 /nfs/dbraw/zinc/20/01/33/593200133.db2.gz RPCQJOXPFPJFSV-FSZRXZPDSA-N 2 0 344.459 1.104 20 0 EDADRP C=C1c2ccccc2C(=O)N1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103212036 593220673 /nfs/dbraw/zinc/22/06/73/593220673.db2.gz WKAYASRYFRTSPI-UHFFFAOYSA-N 2 0 344.459 1.065 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)C(=O)OC2 ZINC000808895941 593297076 /nfs/dbraw/zinc/29/70/76/593297076.db2.gz VJODORPEUZAXJY-UHFFFAOYSA-N 2 0 334.420 1.314 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnc([C@@H](C)O)s1)C(=O)NCC[NH+](C)C ZINC000809630098 593350681 /nfs/dbraw/zinc/35/06/81/593350681.db2.gz LJDMZYRFNOFXIT-OCCSQVGLSA-N 2 0 342.509 1.379 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000810441471 593402152 /nfs/dbraw/zinc/40/21/52/593402152.db2.gz MWYJURVKEYLSGZ-QAPCUYQASA-N 2 0 341.471 1.380 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@](O)(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167231 593676694 /nfs/dbraw/zinc/67/66/94/593676694.db2.gz RPDVWFKBHKJLAQ-RVKKMQEKSA-N 2 0 339.480 1.290 20 0 EDADRP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)CC(=O)OC(C)(C)C)CC1 ZINC000818975349 593731536 /nfs/dbraw/zinc/73/15/36/593731536.db2.gz XGCPGWYCTWHHDZ-UHFFFAOYSA-N 2 0 348.509 1.064 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000818984927 593732335 /nfs/dbraw/zinc/73/23/35/593732335.db2.gz NABFVBQAEXKXQT-JKSUJKDBSA-N 2 0 343.512 1.972 20 0 EDADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000819055632 593736033 /nfs/dbraw/zinc/73/60/33/593736033.db2.gz XJDINBYIAXFWKY-LPHOPBHVSA-N 2 0 335.467 1.926 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823697379 593836910 /nfs/dbraw/zinc/83/69/10/593836910.db2.gz KKZGPRIGRKDDAJ-DLBZAZTESA-N 2 0 342.447 1.334 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2cccc(-c3nn[nH]n3)c2)[C@H](C)C1 ZINC000821252670 593997595 /nfs/dbraw/zinc/99/75/95/593997595.db2.gz AUMDEXKXOLBZJN-PBHICJAKSA-N 2 0 344.463 1.908 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000822980170 594131094 /nfs/dbraw/zinc/13/10/94/594131094.db2.gz FFPZFSGJEKTWKU-JSGCOSHPSA-N 2 0 328.420 1.349 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825848959 594261802 /nfs/dbraw/zinc/26/18/02/594261802.db2.gz INUJZSZPNQVSKJ-BRWVUGGUSA-N 2 0 342.447 1.550 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827813058 594282176 /nfs/dbraw/zinc/28/21/76/594282176.db2.gz JGHACZDOBOZZNM-AWEZNQCLSA-N 2 0 331.416 1.488 20 0 EDADRP [NH3+]Cc1cccc(C(=O)NCC2([NH+]3CCCCC3)CCOCC2)c1 ZINC000829310798 594596194 /nfs/dbraw/zinc/59/61/94/594596194.db2.gz QPDVFUGVULRSBM-UHFFFAOYSA-N 2 0 331.460 1.910 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000831298444 594602465 /nfs/dbraw/zinc/60/24/65/594602465.db2.gz IUBOKXLFRZZJKF-CVEARBPZSA-N 2 0 326.485 1.433 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000831298450 594603071 /nfs/dbraw/zinc/60/30/71/594603071.db2.gz IUBOKXLFRZZJKF-HOTGVXAUSA-N 2 0 326.485 1.433 20 0 EDADRP [NH3+][C@H](CC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000829452797 594616464 /nfs/dbraw/zinc/61/64/64/594616464.db2.gz WEAVEVUHSJCCNE-OAHLLOKOSA-N 2 0 325.522 1.982 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)CC1 ZINC000827457259 594674002 /nfs/dbraw/zinc/67/40/02/594674002.db2.gz XUZURSDGYFGEPA-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP Cc1nccn1-c1ccc(NC(=O)c2cn(CCCC[NH3+])nn2)cn1 ZINC000831817855 594705143 /nfs/dbraw/zinc/70/51/43/594705143.db2.gz AFFYKWVHGVAVIZ-UHFFFAOYSA-N 2 0 340.391 1.158 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286244 594881671 /nfs/dbraw/zinc/88/16/71/594881671.db2.gz AEOFXVWZSJAADB-HNNXBMFYSA-N 2 0 336.436 1.256 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc(OCC[NH3+])c1 ZINC000841286245 594881692 /nfs/dbraw/zinc/88/16/92/594881692.db2.gz AEOFXVWZSJAADB-OAHLLOKOSA-N 2 0 336.436 1.256 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841310636 594883773 /nfs/dbraw/zinc/88/37/73/594883773.db2.gz GPZKCZQDFXGKML-JKSUJKDBSA-N 2 0 332.448 1.781 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C[C@H](C)[N@H+]1C ZINC000836216937 594939476 /nfs/dbraw/zinc/93/94/76/594939476.db2.gz NRVQMNXCSSHYJS-IYBDPMFKSA-N 2 0 345.491 1.995 20 0 EDADRP [NH3+][C@@H](CC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CC1 ZINC000841845959 594963904 /nfs/dbraw/zinc/96/39/04/594963904.db2.gz CNWBUZWGTRWLGE-HOTGVXAUSA-N 2 0 331.416 1.661 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000841944174 594986740 /nfs/dbraw/zinc/98/67/40/594986740.db2.gz BLVPAPVYMNOWMQ-PKOBYXMFSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCCCC1 ZINC000842015431 595003083 /nfs/dbraw/zinc/00/30/83/595003083.db2.gz LHJKTBMTHRCHBM-ZBFHGGJFSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)[NH+]1CCCCC1 ZINC000842015430 595003231 /nfs/dbraw/zinc/00/32/31/595003231.db2.gz LHJKTBMTHRCHBM-HOCLYGCPSA-N 2 0 338.496 1.001 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N(C)C1CCC([NH3+])CC1 ZINC000842035833 595006350 /nfs/dbraw/zinc/00/63/50/595006350.db2.gz QODZATHCDQKOHN-UHFFFAOYSA-N 2 0 340.512 1.343 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)/C=C\c1ccc(Cl)cc1 ZINC000842482401 595118778 /nfs/dbraw/zinc/11/87/78/595118778.db2.gz URXGIAGZDSJPBY-GHXNOFRVSA-N 2 0 331.869 1.640 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)N(C)OCC)CC1 ZINC000846062592 595133770 /nfs/dbraw/zinc/13/37/70/595133770.db2.gz IHJRIINHDUVJMD-UHFFFAOYSA-N 2 0 348.491 1.718 20 0 EDADRP Cn1cncc1[C@@H]1CC(=O)N(CN2CC[C@H](Oc3ccccc3)C2)C1 ZINC000842619064 595144899 /nfs/dbraw/zinc/14/48/99/595144899.db2.gz YCONTXOEHZVMII-WBVHZDCISA-N 2 0 340.427 1.847 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN(Cc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000846222838 595178163 /nfs/dbraw/zinc/17/81/63/595178163.db2.gz ZXXGOVNGJQTQDL-UHFFFAOYSA-N 2 0 343.475 1.972 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCCCCC2)nc1 ZINC000844169575 595289721 /nfs/dbraw/zinc/28/97/21/595289721.db2.gz LQVARVPQPBYHOD-KRWDZBQOSA-N 2 0 346.475 1.847 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172081 595291006 /nfs/dbraw/zinc/29/10/06/595291006.db2.gz VHISJHCLGYCOKV-ROUUACIJSA-N 2 0 349.450 1.628 20 0 EDADRP C[C@@H](CCNC(=O)CO[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000844189443 595297522 /nfs/dbraw/zinc/29/75/22/595297522.db2.gz MILJLQIZNJXJGC-WMZOPIPTSA-N 2 0 333.476 1.782 20 0 EDADRP c1cn(-c2ccc(-c3noc(CNC[C@@H]4CCCO4)n3)cn2)cn1 ZINC000843173484 595299207 /nfs/dbraw/zinc/29/92/07/595299207.db2.gz RDZCFSFLDWQNCN-ZDUSSCGKSA-N 2 0 326.360 1.586 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844224593 595308691 /nfs/dbraw/zinc/30/86/91/595308691.db2.gz MVLHCPRDJMEKLB-QZTJIDSGSA-N 2 0 346.475 1.711 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000847311534 595393888 /nfs/dbraw/zinc/39/38/88/595393888.db2.gz GNQAQLZAEKRCEG-WCXIOVBPSA-N 2 0 336.480 1.166 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1NCCC[N@H+](CC)C1CCCCC1 ZINC000844922641 595414582 /nfs/dbraw/zinc/41/45/82/595414582.db2.gz OPLKMZKNPWNSKZ-SJORKVTESA-N 2 0 325.497 1.914 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000848999055 595473951 /nfs/dbraw/zinc/47/39/51/595473951.db2.gz NCIWTLRCXVNJPZ-NVXWUHKLSA-N 2 0 332.448 1.215 20 0 EDADRP [NH2+]=C(NCCn1cccn1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849068199 595477378 /nfs/dbraw/zinc/47/73/78/595477378.db2.gz NNHBMCCLPFXHOA-UHFFFAOYSA-N 2 0 326.448 1.662 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000849079843 595479029 /nfs/dbraw/zinc/47/90/29/595479029.db2.gz HWFZAXHMRAFNKJ-GFCCVEGCSA-N 2 0 325.407 1.927 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849508983 595554602 /nfs/dbraw/zinc/55/46/02/595554602.db2.gz KMZLHKSVACKLFX-ROUUACIJSA-N 2 0 347.507 1.304 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000849557268 595565678 /nfs/dbraw/zinc/56/56/78/595565678.db2.gz FZISBBFVWJVBFH-BDXSIMOUSA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561873 595568396 /nfs/dbraw/zinc/56/83/96/595568396.db2.gz LOSLOIMVDGHVDE-PILAGYSTSA-N 2 0 345.491 1.054 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000852857371 595578935 /nfs/dbraw/zinc/57/89/35/595578935.db2.gz QXGLQYRPLLSLRP-DOTOQJQBSA-N 2 0 348.447 1.298 20 0 EDADRP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000852861333 595581773 /nfs/dbraw/zinc/58/17/73/595581773.db2.gz BULBSUHGZAKZHE-UAGQMJEPSA-N 2 0 344.459 1.774 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852864338 595584979 /nfs/dbraw/zinc/58/49/79/595584979.db2.gz SRNZENNFEQFFDG-ZDUSSCGKSA-N 2 0 331.420 1.235 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]([NH3+])C2CC2)cc1F ZINC000852906835 595609330 /nfs/dbraw/zinc/60/93/30/595609330.db2.gz URSLGSDQMHTHOY-IMJJTQAJSA-N 2 0 335.423 1.523 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2ccnc(F)c2)c1 ZINC000858125076 595705726 /nfs/dbraw/zinc/70/57/26/595705726.db2.gz YYOFMRCQGKRITM-UHFFFAOYSA-N 2 0 330.407 1.802 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851670745 595878785 /nfs/dbraw/zinc/87/87/85/595878785.db2.gz YXCFNJXPWQEEOA-MSOLQXFVSA-N 2 0 343.475 1.297 20 0 EDADRP COC(=O)CN(C)C(=O)CC[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213974 596006519 /nfs/dbraw/zinc/00/65/19/596006519.db2.gz CZIYEYYJTJYDMI-UHFFFAOYSA-N 2 0 335.448 1.202 20 0 EDADRP CCOC(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856589814 596024780 /nfs/dbraw/zinc/02/47/80/596024780.db2.gz OCXQVJAGCMPYFA-KRWDZBQOSA-N 2 0 335.448 1.940 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)C[C@@H](C)[NH3+])CC2)c1 ZINC000861560240 596030015 /nfs/dbraw/zinc/03/00/15/596030015.db2.gz WPOALHRAOKJRQC-QGZVFWFLSA-N 2 0 347.507 1.496 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N(C[C@@H](O)CC(C)(C)C)C2CC[NH+](C)CC2)C1 ZINC000854334912 596039638 /nfs/dbraw/zinc/03/96/38/596039638.db2.gz URHRSOIMBXWRHY-WBVHZDCISA-N 2 0 339.524 1.658 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856631840 596039962 /nfs/dbraw/zinc/03/99/62/596039962.db2.gz NLKGDMTZFKDKAE-YOEHRIQHSA-N 2 0 334.464 1.463 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000861602055 596043707 /nfs/dbraw/zinc/04/37/07/596043707.db2.gz FJQQJFFGNAHBCY-AWEZNQCLSA-N 2 0 334.464 1.132 20 0 EDADRP C[C@]1(CNC(=O)NCCOCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000861629038 596051762 /nfs/dbraw/zinc/05/17/62/596051762.db2.gz CFULRMMTCPOTMD-LJQANCHMSA-N 2 0 348.491 1.563 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861984959 596170008 /nfs/dbraw/zinc/17/00/08/596170008.db2.gz OUGDQDHDBWUHQR-OAHLLOKOSA-N 2 0 325.497 1.866 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000852514826 596186555 /nfs/dbraw/zinc/18/65/55/596186555.db2.gz LAOOXNLRILYWGW-PMACEKPBSA-N 2 0 331.504 1.692 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc(CC[C@H]3CCC[NH2+]C3)n2)CC1 ZINC000857253525 596198644 /nfs/dbraw/zinc/19/86/44/596198644.db2.gz OPDWWRUBRVZONT-CQSZACIVSA-N 2 0 349.479 1.097 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC1 ZINC000866570773 596254629 /nfs/dbraw/zinc/25/46/29/596254629.db2.gz QGEHACKFZGCFDW-GDBMZVCRSA-N 2 0 345.553 1.934 20 0 EDADRP Cn1nnnc1CC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000866663933 596284516 /nfs/dbraw/zinc/28/45/16/596284516.db2.gz PASKLSZAABRKGR-SJORKVTESA-N 2 0 328.464 1.425 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000866708117 596302693 /nfs/dbraw/zinc/30/26/93/596302693.db2.gz LKXXKOQXEJSOFZ-BMFZPTHFSA-N 2 0 335.379 1.071 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000870864918 596381812 /nfs/dbraw/zinc/38/18/12/596381812.db2.gz QUNBTTXCKUAOGT-SQGPQFPESA-N 2 0 342.487 1.442 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000870866344 596382427 /nfs/dbraw/zinc/38/24/27/596382427.db2.gz ZGNFTJLZIULMLR-SHTZXODSSA-N 2 0 325.522 1.982 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000870888271 596391250 /nfs/dbraw/zinc/39/12/50/596391250.db2.gz LISCCSXTUIVHCP-QBPKDAKJSA-N 2 0 325.497 1.757 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870921456 596406123 /nfs/dbraw/zinc/40/61/23/596406123.db2.gz PILJVIDYIDPMFI-KGLIPLIRSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935805 596412109 /nfs/dbraw/zinc/41/21/09/596412109.db2.gz SZRVWVQVWCSYJV-MFKMUULPSA-N 2 0 326.238 1.517 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(Br)c1 ZINC000870945708 596414642 /nfs/dbraw/zinc/41/46/42/596414642.db2.gz XBOVEOPPXPRZKM-MNOVXSKESA-N 2 0 348.191 1.562 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccn(C(C)(C)C)c1=O ZINC000865177273 596501467 /nfs/dbraw/zinc/50/14/67/596501467.db2.gz CTHFYZJZYVKMAV-UHFFFAOYSA-N 2 0 336.480 1.169 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC2(CSC2)C1 ZINC000865783854 596681342 /nfs/dbraw/zinc/68/13/42/596681342.db2.gz VARAHQIRRLTXPC-UHFFFAOYSA-N 2 0 327.538 1.862 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)c1 ZINC000868106726 596688364 /nfs/dbraw/zinc/68/83/64/596688364.db2.gz IYFAGOTUGHPUNA-IRXDYDNUSA-N 2 0 332.448 1.985 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000868163621 596706862 /nfs/dbraw/zinc/70/68/62/596706862.db2.gz NUXVXBYBQMJVDL-HNNXBMFYSA-N 2 0 334.464 1.763 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016707 596708831 /nfs/dbraw/zinc/70/88/31/596708831.db2.gz VNEISLOFHJVVAZ-ZDGDKENJSA-N 2 0 325.497 1.244 20 0 EDADRP CCCc1nc(C)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000870017485 596709725 /nfs/dbraw/zinc/70/97/25/596709725.db2.gz AXLRFAGFHGOQGE-HUUCEWRRSA-N 2 0 336.480 1.747 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCc3cccnc32)C[C@H]1C[NH+](C)C ZINC000870018149 596710120 /nfs/dbraw/zinc/71/01/20/596710120.db2.gz NFMUZQZQEJMACO-BRWVUGGUSA-N 2 0 330.476 1.309 20 0 EDADRP Cc1nc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc2o1 ZINC000870019105 596710756 /nfs/dbraw/zinc/71/07/56/596710756.db2.gz PSWRYPZHRNUTLQ-HZPDHXFCSA-N 2 0 344.459 1.948 20 0 EDADRP C[C@@H](Oc1cccnc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870021908 596712735 /nfs/dbraw/zinc/71/27/35/596712735.db2.gz VCOPVYDXRBXXAA-BZUAXINKSA-N 2 0 334.464 1.047 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3S2)C[C@H]1C[NH+](C)C ZINC000870024362 596713849 /nfs/dbraw/zinc/71/38/49/596713849.db2.gz ZVMUTMVBHOEPAA-NUJGCVRESA-N 2 0 347.528 1.901 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2noc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870024542 596714511 /nfs/dbraw/zinc/71/45/11/596714511.db2.gz RGUQTOPQBJYGBC-HUUCEWRRSA-N 2 0 344.459 1.568 20 0 EDADRP COc1ccc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870025233 596714774 /nfs/dbraw/zinc/71/47/74/596714774.db2.gz NPQPDVWCZAFQBZ-HZPDHXFCSA-N 2 0 349.475 1.272 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868230360 596736814 /nfs/dbraw/zinc/73/68/14/596736814.db2.gz ZLMNQCVGIUQCFE-UHOFOFEASA-N 2 0 332.448 1.286 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232185 596738136 /nfs/dbraw/zinc/73/81/36/596738136.db2.gz MRWBBUCIMCXMTH-UQCMEYCASA-N 2 0 342.443 1.039 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868234791 596739631 /nfs/dbraw/zinc/73/96/31/596739631.db2.gz AONCMEGMXSRTMW-DLBZAZTESA-N 2 0 346.475 1.486 20 0 EDADRP CNc1nc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc2ccccc21 ZINC000866009988 596757040 /nfs/dbraw/zinc/75/70/40/596757040.db2.gz CGVRSJMJBHNIIW-HUUCEWRRSA-N 2 0 342.491 1.847 20 0 EDADRP C[NH+]1CCC2(CC1)CN(c1nc(N)[nH+]c(N)n1)Cc1ccccc12 ZINC000866016879 596759996 /nfs/dbraw/zinc/75/99/96/596759996.db2.gz XPPKQTXYDSVNEM-UHFFFAOYSA-N 2 0 325.420 1.020 20 0 EDADRP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000872155906 596816240 /nfs/dbraw/zinc/81/62/40/596816240.db2.gz ALDYLNSLRFCFCN-AEFFLSMTSA-N 2 0 337.508 1.855 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@@]3(C)C[NH2+]CCO3)n2)c1 ZINC000872174084 596820628 /nfs/dbraw/zinc/82/06/28/596820628.db2.gz CSIIQHXIPRFITH-QGZVFWFLSA-N 2 0 332.404 1.512 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@@]3(C[NH3+])CCCOC3)n2)c1 ZINC000872175815 596821400 /nfs/dbraw/zinc/82/14/00/596821400.db2.gz SZKHVHTTZISNKO-GOSISDBHSA-N 2 0 346.431 1.684 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000872202106 596833667 /nfs/dbraw/zinc/83/36/67/596833667.db2.gz UUSBLBWXERQVKV-KRWDZBQOSA-N 2 0 336.476 1.773 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)CC(F)F ZINC000875687126 596947479 /nfs/dbraw/zinc/94/74/79/596947479.db2.gz BVSZDVJJLIBNCF-BFHYXJOUSA-N 2 0 334.455 1.659 20 0 EDADRP O=C1CC2(COC2)CN1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000872592100 596979850 /nfs/dbraw/zinc/97/98/50/596979850.db2.gz RCGLDBRXLDIQON-UHFFFAOYSA-N 2 0 335.492 1.781 20 0 EDADRP COCCC1(NC(=O)NCC[NH+](C(C)C)C(C)C)CC[NH2+]CC1 ZINC000874429759 597075228 /nfs/dbraw/zinc/07/52/28/597075228.db2.gz PLIYQXWXGNTLLS-UHFFFAOYSA-N 2 0 328.501 1.563 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000876521056 597229569 /nfs/dbraw/zinc/22/95/69/597229569.db2.gz RLDQMSZVCMBODF-BZUAXINKSA-N 2 0 345.443 1.907 20 0 EDADRP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873229180 597234731 /nfs/dbraw/zinc/23/47/31/597234731.db2.gz OMDFFHDCHJVNTL-OAHLLOKOSA-N 2 0 344.459 1.200 20 0 EDADRP CC[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1cnn(C)c1 ZINC000873247788 597239500 /nfs/dbraw/zinc/23/95/00/597239500.db2.gz UJVYVHOVTRXIPI-KRWDZBQOSA-N 2 0 325.420 1.700 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)c1 ZINC000873267877 597243674 /nfs/dbraw/zinc/24/36/74/597243674.db2.gz LGYLUZGQPJNVSC-OLZOCXBDSA-N 2 0 325.478 1.633 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(-n2cnnn2)c1 ZINC000873291196 597249605 /nfs/dbraw/zinc/24/96/05/597249605.db2.gz VIZCJXBDWMXGBE-RHSMWYFYSA-N 2 0 342.447 1.472 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000875072308 597270495 /nfs/dbraw/zinc/27/04/95/597270495.db2.gz USFUILHIJKNLLN-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000876711555 597298766 /nfs/dbraw/zinc/29/87/66/597298766.db2.gz ZVONIWLRJCNNKY-ZVZYQTTQSA-N 2 0 349.450 1.896 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876723234 597306667 /nfs/dbraw/zinc/30/66/67/597306667.db2.gz QMKMZZREAZUCOT-USXIJHARSA-N 2 0 347.507 1.966 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876725289 597307030 /nfs/dbraw/zinc/30/70/30/597307030.db2.gz IDSPQTVSAJGSEV-UHFFFAOYSA-N 2 0 331.460 1.972 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876765144 597329463 /nfs/dbraw/zinc/32/94/63/597329463.db2.gz TXQUYFBVGGQVST-APWZRJJASA-N 2 0 335.492 1.670 20 0 EDADRP Cc1cc(NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)n(C2CC[NH+](C)CC2)n1 ZINC000876768816 597332081 /nfs/dbraw/zinc/33/20/81/597332081.db2.gz NSJLQYNXWFWLNN-QAPCUYQASA-N 2 0 331.464 1.929 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775260 597335647 /nfs/dbraw/zinc/33/56/47/597335647.db2.gz RYGGLGSTGSYPHI-YDOPFJFGSA-N 2 0 349.519 1.797 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875216726 597336234 /nfs/dbraw/zinc/33/62/34/597336234.db2.gz YLRINCRVUQPDCX-GVDBMIGSSA-N 3 0 341.544 1.098 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876779317 597337954 /nfs/dbraw/zinc/33/79/54/597337954.db2.gz AQECIFSSIBPPSA-RHSMWYFYSA-N 2 0 334.439 1.715 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000876793591 597341983 /nfs/dbraw/zinc/34/19/83/597341983.db2.gz RIMQGRJCXLAVTK-HNNXBMFYSA-N 2 0 331.464 1.332 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](O)COc2cccc(F)c2)CC1 ZINC000876965941 597400386 /nfs/dbraw/zinc/40/03/86/597400386.db2.gz LPYARDPFVROTDY-INIZCTEOSA-N 2 0 340.439 1.390 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000877029065 597416062 /nfs/dbraw/zinc/41/60/62/597416062.db2.gz PORCYKZIBXKONQ-CYBMUJFWSA-N 2 0 328.844 1.128 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000877247635 597478399 /nfs/dbraw/zinc/47/83/99/597478399.db2.gz SJGHOJPOVOKHHT-NSHGMRRFSA-N 2 0 345.487 1.924 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000877251995 597480254 /nfs/dbraw/zinc/48/02/54/597480254.db2.gz WUJSCJHRLJZIRL-SZMVWBNQSA-N 2 0 334.508 1.146 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@@H]4C[NH2+]C[C@]4(C)C3)cc2)CC1 ZINC000877374932 597504551 /nfs/dbraw/zinc/50/45/51/597504551.db2.gz LIJPBFPEVTZKBC-AZUAARDMSA-N 2 0 342.487 1.116 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](Cc3ccccc3-n3cncn3)CC2)CC1 ZINC000877747563 597552767 /nfs/dbraw/zinc/55/27/67/597552767.db2.gz QXDHXUUNZLKMIA-UHFFFAOYSA-N 2 0 340.475 1.479 20 0 EDADRP COc1ccccc1[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878121128 597579961 /nfs/dbraw/zinc/57/99/61/597579961.db2.gz NCDJSWVXBBSFEW-HNNXBMFYSA-N 2 0 331.460 1.695 20 0 EDADRP CC(C)(O)C[C@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000878389798 597599180 /nfs/dbraw/zinc/59/91/80/597599180.db2.gz UZXABPPRCFDDGV-KRWDZBQOSA-N 2 0 328.497 1.333 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC1 ZINC000881472565 597630259 /nfs/dbraw/zinc/63/02/59/597630259.db2.gz KOVBXCOEXPKFKG-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)COc3ccccc3)CC2)CC1 ZINC000879590552 597647510 /nfs/dbraw/zinc/64/75/10/597647510.db2.gz HDOHUFTVQZLPEK-GOSISDBHSA-N 2 0 333.476 1.138 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](CCOCCOc3ccccc3)CC2)CC1 ZINC000879591159 597648395 /nfs/dbraw/zinc/64/83/95/597648395.db2.gz KOXOSEIJYIRYEZ-UHFFFAOYSA-N 2 0 347.503 1.794 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](C)[NH+]1CCc2ccccc2C1 ZINC000883142449 597665239 /nfs/dbraw/zinc/66/52/39/597665239.db2.gz JEOMJJTYKOOOKG-CRAIPNDOSA-N 2 0 330.476 1.827 20 0 EDADRP CC(C)C[N@@H+](CC(=O)NCc1ccccn1)CC1CC[NH+](C)CC1 ZINC000879702313 597694504 /nfs/dbraw/zinc/69/45/04/597694504.db2.gz JUQYTAHBSLJMMI-UHFFFAOYSA-N 2 0 332.492 1.998 20 0 EDADRP COc1cc(NC(=O)NCCN(C)CCC[NH+](C)C)cc(Cl)n1 ZINC000879884116 597747250 /nfs/dbraw/zinc/74/72/50/597747250.db2.gz OJYXRPSVMRGTDL-UHFFFAOYSA-N 2 0 343.859 1.749 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000883510051 597782258 /nfs/dbraw/zinc/78/22/58/597782258.db2.gz HCJFREWMSSPCGG-VKJFTORMSA-N 2 0 343.475 1.784 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@@H](O)C[NH+]1CCCC1 ZINC000879016946 597787609 /nfs/dbraw/zinc/78/76/09/597787609.db2.gz SQSOEPCWBBEZGB-SJORKVTESA-N 2 0 325.497 1.018 20 0 EDADRP O=C(NCC[NH2+]C1CC1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586011 597814129 /nfs/dbraw/zinc/81/41/29/597814129.db2.gz CQZHNJBLGSJPNH-SFHVURJKSA-N 2 0 343.475 1.845 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586378 597814568 /nfs/dbraw/zinc/81/45/68/597814568.db2.gz KQHKZHAKMJOLQB-RHSMWYFYSA-N 2 0 331.464 1.830 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586937 597815017 /nfs/dbraw/zinc/81/50/17/597815017.db2.gz VXWKANQGZRHBLU-CRAIPNDOSA-N 2 0 343.475 1.926 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586756 597815305 /nfs/dbraw/zinc/81/53/05/597815305.db2.gz RUJYXDHIDVFRCV-RHSMWYFYSA-N 2 0 331.464 1.687 20 0 EDADRP COCC[N@@H+](CC(=O)NCc1ccc(C)cc1)CC1CC[NH+](C)CC1 ZINC000879124489 597827083 /nfs/dbraw/zinc/82/70/83/597827083.db2.gz YGZAZMAXRWKZRY-UHFFFAOYSA-N 2 0 347.503 1.901 20 0 EDADRP C[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[C@H](C(F)(F)F)O1 ZINC000880064269 597828147 /nfs/dbraw/zinc/82/81/47/597828147.db2.gz LOQLIRHWLOXKGL-DGCLKSJQSA-N 2 0 337.386 1.239 20 0 EDADRP CN(CCS(N)(=O)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000880085282 597837095 /nfs/dbraw/zinc/83/70/95/597837095.db2.gz HVMDBJPPKGTXCD-UHFFFAOYSA-N 2 0 325.478 1.393 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](CC2CC2)[C@H](C(N)=O)C2CC2)CC1 ZINC000879485624 597932322 /nfs/dbraw/zinc/93/23/22/597932322.db2.gz FVLUHWMDIUTLLA-SFHVURJKSA-N 2 0 336.524 1.378 20 0 EDADRP C[NH2+]CC1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884027980 597972166 /nfs/dbraw/zinc/97/21/66/597972166.db2.gz SZMPUQOKDMAENB-CQSZACIVSA-N 2 0 340.265 1.907 20 0 EDADRP C[N@H+](CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CCCC1 ZINC000884212490 598030806 /nfs/dbraw/zinc/03/08/06/598030806.db2.gz GVOMXHDRYBKEHU-UHFFFAOYSA-N 2 0 331.464 1.095 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1ccnc(N2CC[NH2+]CC2)c1)C(C)(C)C ZINC000884221876 598034113 /nfs/dbraw/zinc/03/41/13/598034113.db2.gz CFMIJRJAFSWANG-INIZCTEOSA-N 2 0 347.507 1.587 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)N[C@@H](C)[C@H]2CN(C)CCO2)CC1 ZINC000884229130 598037389 /nfs/dbraw/zinc/03/73/89/598037389.db2.gz INPXAUQJCXIPCG-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000884244079 598041228 /nfs/dbraw/zinc/04/12/28/598041228.db2.gz WXKXXOGULKTMOZ-INIZCTEOSA-N 2 0 336.395 1.982 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884245266 598041789 /nfs/dbraw/zinc/04/17/89/598041789.db2.gz SKHLOKIYVOWCBR-UFGOTCBOSA-N 2 0 326.238 1.645 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@@H]1CC[NH3+] ZINC000884385855 598088835 /nfs/dbraw/zinc/08/88/35/598088835.db2.gz XHZBQZMWOJMZGM-GDBMZVCRSA-N 2 0 331.464 1.081 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000884336585 598073273 /nfs/dbraw/zinc/07/32/73/598073273.db2.gz SOZUHSBYPOEKSE-SJORKVTESA-N 2 0 343.475 1.095 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000884341625 598075591 /nfs/dbraw/zinc/07/55/91/598075591.db2.gz CAJLFVTUNJIENB-OAHLLOKOSA-N 2 0 332.448 1.037 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884410898 598096899 /nfs/dbraw/zinc/09/68/99/598096899.db2.gz VZWXOONRQOANMW-MRXNPFEDSA-N 2 0 345.491 1.341 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1CC[NH2+]C12CCC2)c1ccc(Br)cc1 ZINC000884430743 598102989 /nfs/dbraw/zinc/10/29/89/598102989.db2.gz ACRMMWWWRUINGB-STQMWFEESA-N 2 0 338.249 1.850 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)c1 ZINC000884432620 598103857 /nfs/dbraw/zinc/10/38/57/598103857.db2.gz JZOPMIPLIYEQBY-RBUKOAKNSA-N 2 0 339.439 1.770 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000884446659 598107892 /nfs/dbraw/zinc/10/78/92/598107892.db2.gz WSDKZJJOVZYPFV-HZPDHXFCSA-N 2 0 325.497 1.613 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884460601 598111076 /nfs/dbraw/zinc/11/10/76/598111076.db2.gz FRQVZIWIHKDKEE-JVWICGRDSA-N 2 0 338.249 1.931 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000884503400 598123386 /nfs/dbraw/zinc/12/33/86/598123386.db2.gz KCCHDAOXXNIOCL-CQSZACIVSA-N 2 0 326.485 1.001 20 0 EDADRP CCO[C@H](CNC(=O)NCC[N@@H+]1CCc2ccccc2C1)C[NH+](C)C ZINC000914068919 695058669 /nfs/dbraw/zinc/05/86/69/695058669.db2.gz NAUKYZDDZMBBIO-GOSISDBHSA-N 2 0 348.491 1.311 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000914078745 695074319 /nfs/dbraw/zinc/07/43/19/695074319.db2.gz HHMIVUSVHDZOTF-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP CC[C@@H](C(=O)N(C)CCCN(C)C(=O)C[N@H+](C)C1CCC1)[NH+](C)C ZINC001067670885 695164840 /nfs/dbraw/zinc/16/48/40/695164840.db2.gz DNOJFJDQYZTSOF-INIZCTEOSA-N 2 0 340.512 1.118 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000914244219 695303613 /nfs/dbraw/zinc/30/36/13/695303613.db2.gz CZIIHPAJOFDYGU-KRWDZBQOSA-N 2 0 334.439 1.793 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+]1CCCCC1 ZINC000914293766 695340660 /nfs/dbraw/zinc/34/06/60/695340660.db2.gz PXGDPFSYPHLHKD-OAGGEKHMSA-N 2 0 340.537 1.740 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000914316498 695353544 /nfs/dbraw/zinc/35/35/44/695353544.db2.gz VCWCWVPWWLZGKY-IRXDYDNUSA-N 2 0 333.480 1.858 20 0 EDADRP CCO[C@@H](CNC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914334754 695359932 /nfs/dbraw/zinc/35/99/32/695359932.db2.gz DRKTVUGMPOBXDB-CVEARBPZSA-N 2 0 342.528 1.763 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1 ZINC000992926703 695457594 /nfs/dbraw/zinc/45/75/94/695457594.db2.gz QFTKVMDEYLMCQC-QXAKKESOSA-N 2 0 345.487 1.571 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(NC(=O)c3ccc(C[NH+](C)C)cc3)C2)CCO1 ZINC001031104221 695527190 /nfs/dbraw/zinc/52/71/90/695527190.db2.gz KPMZYLWAGSOCPT-NVXWUHKLSA-N 2 0 345.487 1.977 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)cc1 ZINC001031104255 695527366 /nfs/dbraw/zinc/52/73/66/695527366.db2.gz LRBQQYBTMDRAFX-PXNSSMCTSA-N 2 0 343.471 1.589 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000925418572 695652639 /nfs/dbraw/zinc/65/26/39/695652639.db2.gz VKVPCJNCHVCCBY-FGTMMUONSA-N 2 0 328.460 1.464 20 0 EDADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993366784 696015497 /nfs/dbraw/zinc/01/54/97/696015497.db2.gz PAUSMLNJOGXCBU-CVEARBPZSA-N 2 0 335.496 1.828 20 0 EDADRP Cc1c(C(=O)N[C@H]2CCC[N@H+](CCCO)[C@H]2C)ccc2c[nH+]cn21 ZINC000993500174 696179380 /nfs/dbraw/zinc/17/93/80/696179380.db2.gz IRBZAESCYLJVMP-YOEHRIQHSA-N 2 0 330.432 1.608 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1CCn1cccn1 ZINC000993683174 696306799 /nfs/dbraw/zinc/30/67/99/696306799.db2.gz LMOOQDRYVYBJTH-IRXDYDNUSA-N 2 0 347.507 1.727 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1CCn1cccn1 ZINC000993803221 696379498 /nfs/dbraw/zinc/37/94/98/696379498.db2.gz HRRIMOROQYPMDN-IRXDYDNUSA-N 2 0 347.507 1.584 20 0 EDADRP C[NH+](C)CCCNC(=S)N(CCc1ccccc1)CC[NH+](C)C ZINC000916015660 696611327 /nfs/dbraw/zinc/61/13/27/696611327.db2.gz CAPFIYWTMXPGJE-UHFFFAOYSA-N 2 0 336.549 1.919 20 0 EDADRP C[NH+](C)CCCNC(=S)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000916023897 696612426 /nfs/dbraw/zinc/61/24/26/696612426.db2.gz XIHXYSTYSFJKHB-UHFFFAOYSA-N 2 0 338.521 1.543 20 0 EDADRP Cc1cc(CN2CCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H]2C)nn1C ZINC000994246412 696627135 /nfs/dbraw/zinc/62/71/35/696627135.db2.gz BGNOZCJFJXTRFS-NVXWUHKLSA-N 2 0 345.491 1.293 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000916836245 696794457 /nfs/dbraw/zinc/79/44/57/696794457.db2.gz JVHDBFMISWBUIF-OAGGEKHMSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@H]1[C@@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512414 696957065 /nfs/dbraw/zinc/95/70/65/696957065.db2.gz YVFWVEPPCDDETH-JSGCOSHPSA-N 2 0 326.391 1.898 20 0 EDADRP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000940024368 700122827 /nfs/dbraw/zinc/12/28/27/700122827.db2.gz HPCNWJQRHTVZPH-KRWDZBQOSA-N 2 0 346.475 1.191 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(NC(=O)c3cccc(C[NH+](C)C)c3)C2)CCO1 ZINC001031434231 697097440 /nfs/dbraw/zinc/09/74/40/697097440.db2.gz ZFZPYHHFBOAUBL-RDJZCZTQSA-N 2 0 345.487 1.977 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000918129241 697134669 /nfs/dbraw/zinc/13/46/69/697134669.db2.gz QJJYVIANQNGBEG-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001031584357 697279768 /nfs/dbraw/zinc/27/97/68/697279768.db2.gz BZYMXLMBGHQTMQ-ROUUACIJSA-N 2 0 331.460 1.516 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031666684 697450663 /nfs/dbraw/zinc/45/06/63/697450663.db2.gz RCIPXNOQUJCQJK-RBUKOAKNSA-N 2 0 345.487 1.641 20 0 EDADRP CCO[C@@H](CNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C[NH+](C)C ZINC000920659921 697463105 /nfs/dbraw/zinc/46/31/05/697463105.db2.gz QJNOMBYGTCOZMQ-UYTSQGDYSA-N 2 0 326.485 1.268 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000921439225 697613481 /nfs/dbraw/zinc/61/34/81/697613481.db2.gz VHGMWKIEFPAGLW-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@H]3CCCOC3)C2)C1 ZINC001031729622 698055322 /nfs/dbraw/zinc/05/53/22/698055322.db2.gz RDPYALYKAZHXQQ-AEFFLSMTSA-N 2 0 337.508 1.439 20 0 EDADRP C[C@@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943515480 698429774 /nfs/dbraw/zinc/42/97/74/698429774.db2.gz HIFUZRABAQNYNG-RHSMWYFYSA-N 2 0 333.480 1.295 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000940115832 700231296 /nfs/dbraw/zinc/23/12/96/700231296.db2.gz YZDLOWDLJMVFEZ-QGZVFWFLSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475678 701551481 /nfs/dbraw/zinc/55/14/81/701551481.db2.gz UODOXTUFRRFGOQ-UHFFFAOYSA-N 2 0 348.535 1.489 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764311 699042388 /nfs/dbraw/zinc/04/23/88/699042388.db2.gz CIQJJXYRSPMHPK-UHFFFAOYSA-N 2 0 349.519 1.727 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)O1 ZINC001031764900 699049980 /nfs/dbraw/zinc/04/99/80/699049980.db2.gz OGWNMGCREMFBRD-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054598 699114685 /nfs/dbraw/zinc/11/46/85/699114685.db2.gz LXRSTGHHCNBERD-CRAIPNDOSA-N 2 0 330.476 1.668 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939129359 699208442 /nfs/dbraw/zinc/20/84/42/699208442.db2.gz WDOCKERCWYIDTJ-CVEARBPZSA-N 2 0 347.507 1.571 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939133977 699219245 /nfs/dbraw/zinc/21/92/45/699219245.db2.gz VGSSRQBZRYSPIA-RHSMWYFYSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939138457 699236180 /nfs/dbraw/zinc/23/61/80/699236180.db2.gz ZAJNECMJNRMLBN-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939257023 699434443 /nfs/dbraw/zinc/43/44/43/699434443.db2.gz IGIQHLMMMFQHPP-XJKSGUPXSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939259524 699437606 /nfs/dbraw/zinc/43/76/06/699437606.db2.gz VPOOFTLQZNFTCT-DYVFJYSZSA-N 2 0 334.464 1.651 20 0 EDADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941604362 701593803 /nfs/dbraw/zinc/59/38/03/701593803.db2.gz XQIAFVKPDKASSQ-HKUYNNGSSA-N 2 0 346.519 1.242 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939550651 699699866 /nfs/dbraw/zinc/69/98/66/699699866.db2.gz NKNRBYWEFKSKHJ-DOMZBBRYSA-N 2 0 345.472 1.854 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC000995165431 701610714 /nfs/dbraw/zinc/61/07/14/701610714.db2.gz DROBXBJIWQXBGB-LSDHHAIUSA-N 2 0 348.516 1.922 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941676915 701615630 /nfs/dbraw/zinc/61/56/30/701615630.db2.gz HVRGYRLMLLRNOV-UHFFFAOYSA-N 2 0 334.508 1.101 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003671 699888672 /nfs/dbraw/zinc/88/86/72/699888672.db2.gz BUVYQBUPEJHLPL-HOTGVXAUSA-N 2 0 345.491 1.423 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)ncn1 ZINC000940148668 700281414 /nfs/dbraw/zinc/28/14/14/700281414.db2.gz CHGWOFDUTUXTTA-KRWDZBQOSA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940149401 700282299 /nfs/dbraw/zinc/28/22/99/700282299.db2.gz KSURMIWBHJLZNO-INIZCTEOSA-N 2 0 349.479 1.803 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1)C1CC1 ZINC000940149603 700282676 /nfs/dbraw/zinc/28/26/76/700282676.db2.gz MISZFPWPAGDZAR-HNNXBMFYSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000940159353 700292182 /nfs/dbraw/zinc/29/21/82/700292182.db2.gz HEIQHJVFTXCJHO-OAHLLOKOSA-N 2 0 349.479 1.723 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000940308007 700489995 /nfs/dbraw/zinc/48/99/95/700489995.db2.gz ZTYXBKUWOZCBJI-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940329263 700508278 /nfs/dbraw/zinc/50/82/78/700508278.db2.gz SYIPXMNCZYECMH-UHFFFAOYSA-N 2 0 335.452 1.272 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169546 701649070 /nfs/dbraw/zinc/64/90/70/701649070.db2.gz UPWRSFLAJALXEO-JKSUJKDBSA-N 2 0 343.475 1.255 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428228 700622456 /nfs/dbraw/zinc/62/24/56/700622456.db2.gz ZWQOMJVUJZOMBA-UHFFFAOYSA-N 2 0 345.491 1.470 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C)o2)CC1 ZINC000940472555 700657725 /nfs/dbraw/zinc/65/77/25/700657725.db2.gz CXKXWIOVNQPYGZ-OAHLLOKOSA-N 2 0 349.479 1.723 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940472390 700657807 /nfs/dbraw/zinc/65/78/07/700657807.db2.gz VMZHFMZQXBOONA-GASCZTMLSA-N 2 0 348.495 1.159 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000940462062 700665963 /nfs/dbraw/zinc/66/59/63/700665963.db2.gz YWWGLMZLCBLGJY-UHFFFAOYSA-N 2 0 334.464 1.804 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995079211 700684083 /nfs/dbraw/zinc/68/40/83/700684083.db2.gz NLGMOJJFQYOYRC-CRAIPNDOSA-N 2 0 347.507 1.445 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cncs3)C2)CC1 ZINC000995079552 700688762 /nfs/dbraw/zinc/68/87/62/700688762.db2.gz NWUZJKXDCKWRLZ-DZGCQCFKSA-N 2 0 336.505 1.859 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168578 701664294 /nfs/dbraw/zinc/66/42/94/701664294.db2.gz OXCYMXAXXOLZIL-NVXWUHKLSA-N 2 0 345.491 1.199 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)CC[N@@H+]1C ZINC000940756878 700892262 /nfs/dbraw/zinc/89/22/62/700892262.db2.gz LSULWNOBOKKDNC-OIISXLGYSA-N 2 0 347.507 1.477 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1)OC ZINC000941002889 701036646 /nfs/dbraw/zinc/03/66/46/701036646.db2.gz PMGOXIOYYBCVAU-IAGOWNOFSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033811 701076593 /nfs/dbraw/zinc/07/65/93/701076593.db2.gz VSBGBGRHSUMPDO-WBVHZDCISA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033810 701077020 /nfs/dbraw/zinc/07/70/20/701077020.db2.gz VSBGBGRHSUMPDO-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC000995171175 701693711 /nfs/dbraw/zinc/69/37/11/701693711.db2.gz YVRAAYFFSWLWQZ-HOCLYGCPSA-N 2 0 346.450 1.691 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995171249 701694026 /nfs/dbraw/zinc/69/40/26/701694026.db2.gz ZKXYPUPABZEGKH-KGLIPLIRSA-N 2 0 349.504 1.317 20 0 EDADRP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000941157892 701221907 /nfs/dbraw/zinc/22/19/07/701221907.db2.gz IROSCFXNATWLJW-QGZVFWFLSA-N 2 0 337.508 1.317 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)CCO1 ZINC001031932254 701384861 /nfs/dbraw/zinc/38/48/61/701384861.db2.gz ZKKYQZGPIFBTDS-GJZGRUSLSA-N 2 0 349.475 1.818 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)o1 ZINC000941215505 701401736 /nfs/dbraw/zinc/40/17/36/701401736.db2.gz VHWFGWAQWYCOBQ-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217643 701403961 /nfs/dbraw/zinc/40/39/61/701403961.db2.gz RJUMULCUEGLWKE-DOTOQJQBSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC000999172244 706603210 /nfs/dbraw/zinc/60/32/10/706603210.db2.gz FZEFJAFUPPPXFL-AEFFLSMTSA-N 2 0 345.491 1.151 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001032132117 701860622 /nfs/dbraw/zinc/86/06/22/701860622.db2.gz JCVVKXIZQQVPAQ-OAHLLOKOSA-N 2 0 332.448 1.378 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)CCO1 ZINC001032133894 701889519 /nfs/dbraw/zinc/88/95/19/701889519.db2.gz NAIHEACMDWBWDP-GJZGRUSLSA-N 2 0 346.475 1.624 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031976347 701959660 /nfs/dbraw/zinc/95/96/60/701959660.db2.gz JJUSWNCCBKJGHP-DNVCBOLYSA-N 2 0 345.487 1.483 20 0 EDADRP Cc1ccc(CN2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC001031976465 701962630 /nfs/dbraw/zinc/96/26/30/701962630.db2.gz MMANZFOGDVCLAZ-WMLDXEAASA-N 2 0 333.451 1.880 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)s1 ZINC001031977255 702015198 /nfs/dbraw/zinc/01/51/98/702015198.db2.gz BNVQHPQIZZKELY-XHDPSFHLSA-N 2 0 336.505 1.506 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](C/C=C/c2ccccc2)C1 ZINC001031979150 702047886 /nfs/dbraw/zinc/04/78/86/702047886.db2.gz ZFYBCYSMMUBBOD-CSZITXDSSA-N 2 0 327.472 1.946 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)n1 ZINC000995810872 702058871 /nfs/dbraw/zinc/05/88/71/702058871.db2.gz FZJPHDOQTCBXGN-KRWDZBQOSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)cn1 ZINC000995833531 702110461 /nfs/dbraw/zinc/11/04/61/702110461.db2.gz QKZVZWSLLUPVTK-XYPHTWIQSA-N 2 0 345.491 1.452 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CC3CCOCC3)C2)CC[N@@H+]1C ZINC000999199523 706643191 /nfs/dbraw/zinc/64/31/91/706643191.db2.gz HMHXZSVWBAEYDO-FGTMMUONSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](CCc3ccc(F)c(F)c3)C2)C1 ZINC001032182247 702190703 /nfs/dbraw/zinc/19/07/03/702190703.db2.gz ILGBGYDDGHQENM-HNNXBMFYSA-N 2 0 337.414 1.507 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1C ZINC001032186941 702288799 /nfs/dbraw/zinc/28/87/99/702288799.db2.gz ZPHHQRGWPYGIPX-KRWDZBQOSA-N 2 0 331.460 1.503 20 0 EDADRP CCc1ccc([C@@H](O)C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032185663 702303764 /nfs/dbraw/zinc/30/37/64/702303764.db2.gz AVSCXIKZYWMPRP-OALUTQOASA-N 2 0 345.487 1.282 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)nc2)C(C)(C)C1)[NH+](C)C ZINC000995954123 702318523 /nfs/dbraw/zinc/31/85/23/702318523.db2.gz WHYXXPAMDSZZME-CVEARBPZSA-N 2 0 348.491 1.757 20 0 EDADRP C[C@H]1C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169331 702411204 /nfs/dbraw/zinc/41/12/04/702411204.db2.gz OBLXAXYESIOFBY-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1C[N@H+](CCC2CCOCC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171650 702417631 /nfs/dbraw/zinc/41/76/31/702417631.db2.gz ZMGDOUKMCVMTGX-WMZOPIPTSA-N 2 0 349.519 1.726 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CC1CCC1 ZINC000996070464 702481276 /nfs/dbraw/zinc/48/12/76/702481276.db2.gz MHEHYCFXJCOJPO-RXCRORICSA-N 2 0 347.503 1.476 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)ncn1 ZINC000996220166 702631600 /nfs/dbraw/zinc/63/16/00/702631600.db2.gz CRXFAIPGVIGMSS-KRWDZBQOSA-N 2 0 345.491 1.453 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)[NH+](C)C ZINC000996246231 702649631 /nfs/dbraw/zinc/64/96/31/702649631.db2.gz KXEILDMAHYXKAT-IAGOWNOFSA-N 2 0 332.492 1.994 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996246490 702649824 /nfs/dbraw/zinc/64/98/24/702649824.db2.gz ILIHRYLLMFGPME-KRWDZBQOSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995211009 702682422 /nfs/dbraw/zinc/68/24/22/702682422.db2.gz MOBQCWBYOZBUIQ-JKSUJKDBSA-N 2 0 334.464 1.762 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cs1 ZINC000995215162 702723569 /nfs/dbraw/zinc/72/35/69/702723569.db2.gz SUSIRLMJWZYNGE-GJZGRUSLSA-N 2 0 336.505 1.922 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(NCc2csnn2)CC1 ZINC000996464291 702791929 /nfs/dbraw/zinc/79/19/29/702791929.db2.gz MFEAHVBDLAKXKA-HNNXBMFYSA-N 2 0 337.493 1.492 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996503204 702825208 /nfs/dbraw/zinc/82/52/08/702825208.db2.gz YMPZABBJZUFQCW-AEFFLSMTSA-N 2 0 345.491 1.338 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500566 702839713 /nfs/dbraw/zinc/83/97/13/702839713.db2.gz GSYUNDIQUHTLPF-YJBOKZPZSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)ncn1 ZINC000996521312 702856683 /nfs/dbraw/zinc/85/66/83/702856683.db2.gz VGIFCUNSXHWWIF-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)c3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000996602938 702912622 /nfs/dbraw/zinc/91/26/22/702912622.db2.gz IWYQQIUYQCRTIN-UHOFOFEASA-N 2 0 348.495 1.485 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996604094 702913820 /nfs/dbraw/zinc/91/38/20/702913820.db2.gz TYBQDEONXACRFT-CZUORRHYSA-N 2 0 334.464 1.712 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C)ncn3)CC2)CC[N@@H+]1C ZINC000996604934 702914541 /nfs/dbraw/zinc/91/45/41/702914541.db2.gz XKKPFAUAVOKRCT-ZWKOTPCHSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996612917 702917954 /nfs/dbraw/zinc/91/79/54/702917954.db2.gz SPHASZUADWEKBT-KRWDZBQOSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996613573 702918665 /nfs/dbraw/zinc/91/86/65/702918665.db2.gz VYCGLICUDHDWDA-QGZVFWFLSA-N 2 0 347.507 1.422 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)C1CCC1 ZINC000996665655 702968065 /nfs/dbraw/zinc/96/80/65/702968065.db2.gz NYYMBONYSRNCEF-UHFFFAOYSA-N 2 0 334.439 1.786 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000996666282 702968322 /nfs/dbraw/zinc/96/83/22/702968322.db2.gz QCXVDOSOQZXKEI-CYBMUJFWSA-N 2 0 349.479 1.758 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996674716 702969950 /nfs/dbraw/zinc/96/99/50/702969950.db2.gz WATMCVPRWKCUCS-DLBZAZTESA-N 2 0 347.507 1.621 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996669212 702970606 /nfs/dbraw/zinc/97/06/06/702970606.db2.gz GDCIFMLOWQVHGM-UHFFFAOYSA-N 2 0 333.480 1.468 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000996689154 702986693 /nfs/dbraw/zinc/98/66/93/702986693.db2.gz ABZBIKKSOYPHRV-INIZCTEOSA-N 2 0 348.495 1.349 20 0 EDADRP Cc1cncn1CC(=O)N[C@H]1CC[N@@H+](Cc2cn(C)nc2C)C[C@H]1C ZINC000942518341 703013105 /nfs/dbraw/zinc/01/31/05/703013105.db2.gz QNMHIDJDIGNDNR-DYVFJYSZSA-N 2 0 344.463 1.260 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996723349 703018383 /nfs/dbraw/zinc/01/83/83/703018383.db2.gz LXJPYQMSRORUPP-IUODEOHRSA-N 2 0 335.452 1.504 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2cnn(C)c2)C1 ZINC001032026908 703046351 /nfs/dbraw/zinc/04/63/51/703046351.db2.gz KNRYVTKUBWOVJJ-SFHVURJKSA-N 2 0 347.507 1.274 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)[nH]1 ZINC000996798886 703084985 /nfs/dbraw/zinc/08/49/85/703084985.db2.gz RJQXFGZMOADMMH-UHFFFAOYSA-N 2 0 339.403 1.155 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)[NH+]1CCCC1 ZINC000996868728 703141245 /nfs/dbraw/zinc/14/12/45/703141245.db2.gz YIGDYDYGXIDBFD-OXQOHEQNSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000996964665 703225480 /nfs/dbraw/zinc/22/54/80/703225480.db2.gz LRQPNWUVRNKURR-IAGOWNOFSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2ccnn2C)CC1 ZINC000996979186 703234465 /nfs/dbraw/zinc/23/44/65/703234465.db2.gz LXGVMERAXMPVRY-QAPCUYQASA-N 2 0 347.507 1.274 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)n2C)CC1)[NH+](C)C ZINC000997009889 703270657 /nfs/dbraw/zinc/27/06/57/703270657.db2.gz PODLQTBNQPBZOJ-HNNXBMFYSA-N 2 0 348.495 1.113 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)CC1 ZINC000997057069 703302782 /nfs/dbraw/zinc/30/27/82/703302782.db2.gz IJJYCTURGBRWJJ-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000997059038 703304230 /nfs/dbraw/zinc/30/42/30/703304230.db2.gz UJCUJJVMEGDONH-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C(C)C)CC2)[nH]1 ZINC000997064020 703308807 /nfs/dbraw/zinc/30/88/07/703308807.db2.gz SGAKHUQFDWNAMQ-MRXNPFEDSA-N 2 0 348.495 1.457 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([NH2+]Cc3cnon3)CC2)cc1 ZINC000997096524 703336259 /nfs/dbraw/zinc/33/62/59/703336259.db2.gz GRTCHKQCOUCUGC-UHFFFAOYSA-N 2 0 343.431 1.526 20 0 EDADRP CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997125888 703384453 /nfs/dbraw/zinc/38/44/53/703384453.db2.gz SDLDONUFBNPCBM-QAPCUYQASA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)cc1 ZINC001032053008 703400660 /nfs/dbraw/zinc/40/06/60/703400660.db2.gz KEXYOGKXOHWXAZ-QGZVFWFLSA-N 2 0 345.487 1.836 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1cccs1 ZINC001032405501 703428767 /nfs/dbraw/zinc/42/87/67/703428767.db2.gz GNIHEYHXWXSYQQ-BQFCYCMXSA-N 2 0 345.512 1.918 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997185850 703475003 /nfs/dbraw/zinc/47/50/03/703475003.db2.gz SVJDXMRISBNFIA-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997187122 703476546 /nfs/dbraw/zinc/47/65/46/703476546.db2.gz WPVMOFZXELWBOP-QFBILLFUSA-N 2 0 345.487 1.642 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997229059 703504500 /nfs/dbraw/zinc/50/45/00/703504500.db2.gz QGYMWWVHSAOWCC-ZIAGYGMSSA-N 2 0 330.432 1.545 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997361440 703595511 /nfs/dbraw/zinc/59/55/11/703595511.db2.gz VCRZEBVWDLTWEE-HUUCEWRRSA-N 2 0 347.507 1.682 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)cn1 ZINC000997364357 703597644 /nfs/dbraw/zinc/59/76/44/703597644.db2.gz MCBBVKUUBDWVIL-UHFFFAOYSA-N 2 0 333.480 1.377 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997364940 703598195 /nfs/dbraw/zinc/59/81/95/703598195.db2.gz OWVWXDSYWFJPSA-UHFFFAOYSA-N 2 0 348.495 1.255 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCc1ccccc1)C1CCC1 ZINC001032448857 703624524 /nfs/dbraw/zinc/62/45/24/703624524.db2.gz XRXCALQZOFYYJY-OALUTQOASA-N 2 0 327.472 1.999 20 0 EDADRP CCn1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997613729 703913441 /nfs/dbraw/zinc/91/34/41/703913441.db2.gz POQZUVMEHNJXCJ-KRWDZBQOSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997615740 703914768 /nfs/dbraw/zinc/91/47/68/703914768.db2.gz WSYHMEBZHLMPCA-GOEBONIOSA-N 2 0 334.464 1.966 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033081473 704137033 /nfs/dbraw/zinc/13/70/33/704137033.db2.gz JUCJZAWXNILTEH-AEFFLSMTSA-N 2 0 337.508 1.556 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999303689 706797285 /nfs/dbraw/zinc/79/72/85/706797285.db2.gz IGOYQRUPGUVGEK-IRXDYDNUSA-N 2 0 333.480 1.375 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946592502 704230406 /nfs/dbraw/zinc/23/04/06/704230406.db2.gz QPXOVYYJEXFCCK-XMTFNYHQSA-N 2 0 335.492 1.024 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCCO2)CC1 ZINC001032710979 706801665 /nfs/dbraw/zinc/80/16/65/706801665.db2.gz AXEBYWJIWRWPOX-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)o2)C1 ZINC000999308915 706810081 /nfs/dbraw/zinc/81/00/81/706810081.db2.gz SKJJNZQDASRMEX-NVXWUHKLSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cc(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)on1 ZINC000947936694 704674389 /nfs/dbraw/zinc/67/43/89/704674389.db2.gz XWMZYPFXVOFREV-GJZGRUSLSA-N 2 0 332.448 1.548 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000997829696 704748341 /nfs/dbraw/zinc/74/83/41/704748341.db2.gz BOGVTRHQYIEOEE-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997837347 704755434 /nfs/dbraw/zinc/75/54/34/704755434.db2.gz REZKGLUMPWEFNH-AWEZNQCLSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918952 704770220 /nfs/dbraw/zinc/77/02/20/704770220.db2.gz LQUPCFPCUXBDEO-ZFWWWQNUSA-N 2 0 329.435 1.954 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944919655 704771801 /nfs/dbraw/zinc/77/18/01/704771801.db2.gz PKLLSPUHNYZKBH-SJLPKXTDSA-N 2 0 347.507 1.368 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997860899 704771810 /nfs/dbraw/zinc/77/18/10/704771810.db2.gz NWSSGLKLMQYCGM-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP CCn1ccnc1CN1CC[C@@H](NC(=O)Cn2ccnc2C)[C@@H](C)C1 ZINC000944965361 704836122 /nfs/dbraw/zinc/83/61/22/704836122.db2.gz RIFDGOZVUGBLST-GOEBONIOSA-N 2 0 344.463 1.435 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000945028227 704954747 /nfs/dbraw/zinc/95/47/47/704954747.db2.gz GCGQFMGRXDBTGW-MAUKXSAKSA-N 2 0 333.476 1.571 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC000997948028 705069031 /nfs/dbraw/zinc/06/90/31/705069031.db2.gz GAXCQQPKCJGJNX-AEFFLSMTSA-N 2 0 347.507 1.717 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998050587 705244878 /nfs/dbraw/zinc/24/48/78/705244878.db2.gz MFFXWAARUQCYBA-MRXNPFEDSA-N 2 0 330.432 1.643 20 0 EDADRP CCN(C(=O)c1cccc2nccn21)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998065988 705278489 /nfs/dbraw/zinc/27/84/89/705278489.db2.gz ZUUPBLBFKZSTJY-OAHLLOKOSA-N 2 0 330.432 1.643 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccc(OC)n2)CC1)[NH+](C)C ZINC000998086833 705307144 /nfs/dbraw/zinc/30/71/44/705307144.db2.gz ULTARLIJAWAQPW-KRWDZBQOSA-N 2 0 348.491 1.759 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1 ZINC000998082082 705308298 /nfs/dbraw/zinc/30/82/98/705308298.db2.gz NNHQOZQBZLFGDJ-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000998137833 705402929 /nfs/dbraw/zinc/40/29/29/705402929.db2.gz AMUFTEUFEMBYQF-LBPRGKRZSA-N 2 0 348.476 1.468 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998222801 705549333 /nfs/dbraw/zinc/54/93/33/705549333.db2.gz NKAYFFHAMIOZJP-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC000998267666 705638887 /nfs/dbraw/zinc/63/88/87/705638887.db2.gz YIUIZYOOKFGKKE-TZMCWYRMSA-N 2 0 337.493 1.379 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998270665 705649381 /nfs/dbraw/zinc/64/93/81/705649381.db2.gz XNKWNLMQUSDCGA-CYBMUJFWSA-N 2 0 335.452 1.363 20 0 EDADRP O=C(CCn1ccnc1)N1CC[C@@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998273646 705653684 /nfs/dbraw/zinc/65/36/84/705653684.db2.gz BYSNDXVKICOYRS-NEPJUHHUSA-N 2 0 336.333 1.612 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCOc1ccc(F)cc1)[NH+](C)C ZINC001032633646 705861789 /nfs/dbraw/zinc/86/17/89/705861789.db2.gz SQEWRKGEROLLSN-BQFCYCMXSA-N 2 0 349.450 1.830 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998718094 706149870 /nfs/dbraw/zinc/14/98/70/706149870.db2.gz BAZKTSFLFKCDRL-GJZGRUSLSA-N 2 0 336.867 1.910 20 0 EDADRP Cn1c(Cl)cnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998722035 706153902 /nfs/dbraw/zinc/15/39/02/706153902.db2.gz NSGBWTKHQYZYIT-QWHCGFSZSA-N 2 0 339.871 1.248 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C)no3)C2)CC[N@@H+]1C ZINC000998792781 706239234 /nfs/dbraw/zinc/23/92/34/706239234.db2.gz BJJFTFBSXKKKNV-YQEWQEHLSA-N 2 0 334.464 1.792 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC000998792642 706239258 /nfs/dbraw/zinc/23/92/58/706239258.db2.gz ZURLTOKIRCPPCG-RKHAHWSXSA-N 2 0 331.464 1.204 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC000998793526 706240212 /nfs/dbraw/zinc/24/02/12/706240212.db2.gz JOWKPSWQKHOHSO-SJJHQCBESA-N 2 0 333.480 1.229 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999032536 706469561 /nfs/dbraw/zinc/46/95/61/706469561.db2.gz GJBXVUYVVBYURU-JCYILVPMSA-N 2 0 347.507 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999142920 706555944 /nfs/dbraw/zinc/55/59/44/706555944.db2.gz DIGAKHJWXVCPJU-HIFRSBDPSA-N 2 0 337.493 1.492 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999318913 706818725 /nfs/dbraw/zinc/81/87/25/706818725.db2.gz PNLKNXMQLASTKK-UHFFFAOYSA-N 2 0 349.475 1.960 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1)c1cnccn1 ZINC000999346975 706858571 /nfs/dbraw/zinc/85/85/71/706858571.db2.gz HKVIGDJYRSFUIL-LSDHHAIUSA-N 2 0 331.464 1.603 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999371020 706885209 /nfs/dbraw/zinc/88/52/09/706885209.db2.gz MPROKYNZFWAMON-FUHWJXTLSA-N 2 0 346.475 1.511 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999403852 706912666 /nfs/dbraw/zinc/91/26/66/706912666.db2.gz XVGWGNLRUYPWPN-DLBZAZTESA-N 2 0 333.480 1.338 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)on1 ZINC000999405761 706914954 /nfs/dbraw/zinc/91/49/54/706914954.db2.gz HKFSDVUWEATKBG-IYXRBSQSSA-N 2 0 336.436 1.247 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999432565 706940148 /nfs/dbraw/zinc/94/01/48/706940148.db2.gz HRGYUOMQJMESSH-ZFWWWQNUSA-N 2 0 339.509 1.513 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1)[NH+]1CCCCCC1 ZINC000999502888 707000555 /nfs/dbraw/zinc/00/05/55/707000555.db2.gz NPVMQXPTKXORBR-FHERZECASA-N 2 0 348.495 1.159 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CC2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999488988 707025041 /nfs/dbraw/zinc/02/50/41/707025041.db2.gz IDYFCDIKHYSOHT-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CCc3cnn(C)c3)C2)CC1 ZINC000999596951 707099992 /nfs/dbraw/zinc/09/99/92/707099992.db2.gz BQXLABJXUCELBW-UHFFFAOYSA-N 2 0 347.507 1.274 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999681362 707166173 /nfs/dbraw/zinc/16/61/73/707166173.db2.gz FGKQFQDTMKXBAK-IGEOTXOUSA-N 2 0 334.439 1.642 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999696856 707222558 /nfs/dbraw/zinc/22/25/58/707222558.db2.gz FTQZPEBMTLAQFX-UHFFFAOYSA-N 2 0 345.491 1.639 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999838193 707409866 /nfs/dbraw/zinc/40/98/66/707409866.db2.gz UFMFDNGEUZGKDV-NFOMZHRRSA-N 2 0 336.867 1.766 20 0 EDADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033196593 707411227 /nfs/dbraw/zinc/41/12/27/707411227.db2.gz DETCYCCDMNTWAA-GOEBONIOSA-N 2 0 336.505 1.703 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297699 707412678 /nfs/dbraw/zinc/41/26/78/707412678.db2.gz RGXHAUYYCRRIEN-FUHWJXTLSA-N 2 0 347.503 1.972 20 0 EDADRP C[C@@H]([NH2+]CC1CC1)[C@@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001004847888 707445804 /nfs/dbraw/zinc/44/58/04/707445804.db2.gz BBFAOCICYMJQOH-QAPCUYQASA-N 2 0 347.507 1.828 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000999828930 707457672 /nfs/dbraw/zinc/45/76/72/707457672.db2.gz HGZDITCBWAENES-WLYUNCDWSA-N 2 0 343.431 1.254 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999836297 707471768 /nfs/dbraw/zinc/47/17/68/707471768.db2.gz JGVYMVUOOIXOPU-IUDNXUCKSA-N 2 0 332.448 1.121 20 0 EDADRP C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004869199 707518647 /nfs/dbraw/zinc/51/86/47/707518647.db2.gz PHIUHSRNFOYACK-WBVHZDCISA-N 2 0 347.507 1.764 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C1CCCC1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033364410 707656949 /nfs/dbraw/zinc/65/69/49/707656949.db2.gz FGGYRUFOMRZMDO-MSOLQXFVSA-N 2 0 337.508 1.699 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000921690475 707720462 /nfs/dbraw/zinc/72/04/62/707720462.db2.gz MYJCDIPPGYQEMN-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415897 707793444 /nfs/dbraw/zinc/79/34/44/707793444.db2.gz MGHZMDMZBZZEAU-IAGOWNOFSA-N 2 0 330.476 1.907 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990755 707852709 /nfs/dbraw/zinc/85/27/09/707852709.db2.gz JWNHRKZQQZUJRR-SJLPKXTDSA-N 2 0 347.507 1.684 20 0 EDADRP C[C@@H]([NH2+]Cc1cccnc1)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005007426 707917098 /nfs/dbraw/zinc/91/70/98/707917098.db2.gz DJNXYVQYJIMRDM-NVXWUHKLSA-N 2 0 327.432 1.838 20 0 EDADRP C[C@@H]([NH2+]Cc1nccs1)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009786 707927435 /nfs/dbraw/zinc/92/74/35/707927435.db2.gz OHPLMEIZOVRECJ-ZIAGYGMSSA-N 2 0 333.461 1.899 20 0 EDADRP CCc1cnc(CN2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005177737 708119028 /nfs/dbraw/zinc/11/90/28/708119028.db2.gz DGQDALXYIGZSGB-INIZCTEOSA-N 2 0 334.464 1.754 20 0 EDADRP Cc1cncc(C[N@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC001001375294 708140277 /nfs/dbraw/zinc/14/02/77/708140277.db2.gz FZJROZRCJJSIAL-UHFFFAOYSA-N 2 0 340.471 1.734 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546855 708176031 /nfs/dbraw/zinc/17/60/31/708176031.db2.gz GZLMRBIMTALYNS-RDJZCZTQSA-N 2 0 325.497 1.674 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001770335 708293007 /nfs/dbraw/zinc/29/30/07/708293007.db2.gz TYVWQCWFOAWMPH-AWEZNQCLSA-N 2 0 337.464 1.818 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001824082 708326098 /nfs/dbraw/zinc/32/60/98/708326098.db2.gz BGPGLCHOXPGBMG-BBRMVZONSA-N 2 0 334.464 1.509 20 0 EDADRP CN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033654377 708422080 /nfs/dbraw/zinc/42/20/80/708422080.db2.gz ATANYXACTYKGKH-MSOLQXFVSA-N 2 0 337.508 1.678 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001033661883 708475813 /nfs/dbraw/zinc/47/58/13/708475813.db2.gz NAADUVUZSMWNLZ-IRXDYDNUSA-N 2 0 333.451 1.853 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033686955 708502515 /nfs/dbraw/zinc/50/25/15/708502515.db2.gz VHEZJJUJRQGAKQ-WMZOPIPTSA-N 2 0 337.508 1.963 20 0 EDADRP CCOC1CC(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)C1 ZINC001002125835 708640742 /nfs/dbraw/zinc/64/07/42/708640742.db2.gz KQGNXZIWTNZONL-ADKAHSJRSA-N 2 0 337.508 1.581 20 0 EDADRP CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC[NH+](CCO)CC1 ZINC001005391787 708865429 /nfs/dbraw/zinc/86/54/29/708865429.db2.gz UTZHRXDZMOQJJT-INIZCTEOSA-N 2 0 337.508 1.556 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](CC(C)C)C1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033855276 708917564 /nfs/dbraw/zinc/91/75/64/708917564.db2.gz IYUJPLILGZPECK-IRXDYDNUSA-N 2 0 325.497 1.534 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@H](C)OC)CC2)CC[N@@H+]1C ZINC001005416768 708948044 /nfs/dbraw/zinc/94/80/44/708948044.db2.gz YZBWNVSUMJDCRS-BHYGNILZSA-N 2 0 325.497 1.674 20 0 EDADRP CCCC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033907989 709040841 /nfs/dbraw/zinc/04/08/41/709040841.db2.gz WSHUOANWTKILQR-DHADLLTHSA-N 2 0 335.492 1.573 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001002790865 709398603 /nfs/dbraw/zinc/39/86/03/709398603.db2.gz BDMXKADSSZULNK-AEFFLSMTSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC001002811706 709417727 /nfs/dbraw/zinc/41/77/27/709417727.db2.gz QQUFCTIYIJAZBH-MAUKXSAKSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](CCn2cncn2)CC1)[NH+]1CCCCC1 ZINC001002814760 709429698 /nfs/dbraw/zinc/42/96/98/709429698.db2.gz HLHBGJNZMHHHBS-UHFFFAOYSA-N 2 0 348.495 1.123 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CC[C@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001032830162 709465752 /nfs/dbraw/zinc/46/57/52/709465752.db2.gz MBHDOMHXVJNTCB-XLAORIBOSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1oncc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001034209749 709559468 /nfs/dbraw/zinc/55/94/68/709559468.db2.gz DGRYAKYPWYHALN-MSOLQXFVSA-N 2 0 346.475 1.796 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCCC[NH+](CCn3cccn3)C2)CC[N@@H+]1C ZINC001034217811 709574087 /nfs/dbraw/zinc/57/40/87/709574087.db2.gz VJKVECOGBYYGQB-FGTMMUONSA-N 2 0 347.507 1.584 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034257525 709642240 /nfs/dbraw/zinc/64/22/40/709642240.db2.gz KIARMJLJOOGJJI-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cn(C)nc2C)CC1 ZINC001002955371 709656997 /nfs/dbraw/zinc/65/69/97/709656997.db2.gz LMQYXVPLDJAMSR-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400022 709943473 /nfs/dbraw/zinc/94/34/73/709943473.db2.gz WSHSBIHKPRRHBQ-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404120 709951520 /nfs/dbraw/zinc/95/15/20/709951520.db2.gz GMBZYFAXKIZUAP-QFBILLFUSA-N 2 0 347.503 1.756 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCOC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001034490747 710110204 /nfs/dbraw/zinc/11/02/04/710110204.db2.gz MEOYXWQWGJOCLP-INIZCTEOSA-N 2 0 335.492 1.622 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523981 710172757 /nfs/dbraw/zinc/17/27/57/710172757.db2.gz DASKINRKVOPROP-RBUKOAKNSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)n1 ZINC001034525458 710175426 /nfs/dbraw/zinc/17/54/26/710175426.db2.gz NCKHOQKBWHXXGU-QZTJIDSGSA-N 2 0 347.507 1.422 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001003252651 710176763 /nfs/dbraw/zinc/17/67/63/710176763.db2.gz ZYXGGTXJBOWLCV-OAHLLOKOSA-N 2 0 342.443 1.955 20 0 EDADRP CC(C)(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003334532 710258485 /nfs/dbraw/zinc/25/84/85/710258485.db2.gz WOSVUQOWXDIKKN-RYZJOYRSSA-N 2 0 349.519 1.866 20 0 EDADRP Cc1cnc([C@H](C)N2CC[C@@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC001032839625 710282215 /nfs/dbraw/zinc/28/22/15/710282215.db2.gz JILWITDPBFVCSW-UXLLHSPISA-N 2 0 331.464 1.521 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375171 710293036 /nfs/dbraw/zinc/29/30/36/710293036.db2.gz JQHDIRLZDHCIPU-VQIMIIECSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375100 710293203 /nfs/dbraw/zinc/29/32/03/710293203.db2.gz IWIFJGDYIDHBKS-IBGZPJMESA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034642257 710317732 /nfs/dbraw/zinc/31/77/32/710317732.db2.gz DSRVLINGQKDEMM-ZOBUZTSGSA-N 2 0 348.495 1.205 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001003494180 710373538 /nfs/dbraw/zinc/37/35/38/710373538.db2.gz CVKBYURUOUGHGX-HOCLYGCPSA-N 2 0 333.480 1.231 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032842944 710402326 /nfs/dbraw/zinc/40/23/26/710402326.db2.gz CCGTVVHOGKDQTC-KBAYOESNSA-N 2 0 331.460 1.252 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543572 710412234 /nfs/dbraw/zinc/41/22/34/710412234.db2.gz CAHIZMJQBYJUFW-UHFFFAOYSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636600 710456934 /nfs/dbraw/zinc/45/69/34/710456934.db2.gz WQDXMINNGYSSOY-XJKSGUPXSA-N 2 0 348.491 1.824 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003636860 710461334 /nfs/dbraw/zinc/46/13/34/710461334.db2.gz XPCZQQJGYRQNIR-MAUKXSAKSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003633764 710461746 /nfs/dbraw/zinc/46/17/46/710461746.db2.gz HRQRJXUXTBPABT-DYVFJYSZSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003635642 710462779 /nfs/dbraw/zinc/46/27/79/710462779.db2.gz QAUJJBYVRUGBMN-IUODEOHRSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001003635369 710462796 /nfs/dbraw/zinc/46/27/96/710462796.db2.gz PDIUAGMJFOHHJZ-MLGOLLRUSA-N 2 0 334.464 1.570 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003667316 710479909 /nfs/dbraw/zinc/47/99/09/710479909.db2.gz KVDUFVSZGFXYFI-MOPGFXCFSA-N 2 0 345.487 1.559 20 0 EDADRP Cn1cc(CC[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)cn1 ZINC001003739430 710520132 /nfs/dbraw/zinc/52/01/32/710520132.db2.gz DZCROQVXZWFSAO-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP COCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001005639817 710797194 /nfs/dbraw/zinc/79/71/94/710797194.db2.gz JAPDNZMREFNRKL-QGZVFWFLSA-N 2 0 325.497 1.676 20 0 EDADRP COC[C@H](C)[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005663451 710895180 /nfs/dbraw/zinc/89/51/80/710895180.db2.gz CANPXMGQVJYNTM-AWEZNQCLSA-N 2 0 330.432 1.906 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)nn1 ZINC001034734084 710915082 /nfs/dbraw/zinc/91/50/82/710915082.db2.gz JYIIQWCVGJSDSB-JYJNAYRXSA-N 2 0 348.495 1.157 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034734899 710917849 /nfs/dbraw/zinc/91/78/49/710917849.db2.gz BVFWXENFPSBIRX-HDJSIYSDSA-N 2 0 335.452 1.319 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccnc2)CC1 ZINC001034737192 710949241 /nfs/dbraw/zinc/94/92/41/710949241.db2.gz HGCHUMDVQGNDMI-VDHUWJSZSA-N 2 0 330.476 1.796 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001003965983 711099837 /nfs/dbraw/zinc/09/98/37/711099837.db2.gz AAMVORAEFVKZAE-INIZCTEOSA-N 2 0 330.476 1.812 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncn2C)CC1 ZINC001034796241 711116166 /nfs/dbraw/zinc/11/61/66/711116166.db2.gz GOANCVHLBCJKPF-BZUAXINKSA-N 2 0 348.495 1.207 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001034792455 711119183 /nfs/dbraw/zinc/11/91/83/711119183.db2.gz JRKQWUPOKGIRSP-QBPKDAKJSA-N 2 0 337.508 1.770 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C1 ZINC001003977766 711150835 /nfs/dbraw/zinc/15/08/35/711150835.db2.gz XDOZIJMLACOARK-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740786 711274739 /nfs/dbraw/zinc/27/47/39/711274739.db2.gz JBUQPEUSQCGWSF-XDAPHXNSSA-N 2 0 349.519 1.819 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(C)ncn1 ZINC001034954687 711420915 /nfs/dbraw/zinc/42/09/15/711420915.db2.gz TWCOUFISNZYUFY-QZTJIDSGSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387806 711428572 /nfs/dbraw/zinc/42/85/72/711428572.db2.gz BAVGCSGFPHEBAJ-SMKXDYDZSA-N 2 0 342.434 1.927 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)cs1 ZINC001034959527 711432242 /nfs/dbraw/zinc/43/22/42/711432242.db2.gz ANCICXGLPIODOA-CVEARBPZSA-N 2 0 336.505 1.872 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cccnc2)CC[N@@H+]1C ZINC001034940915 711445010 /nfs/dbraw/zinc/44/50/10/711445010.db2.gz HDLWGRDXGVIISY-FGTMMUONSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)o1 ZINC001034970185 711449356 /nfs/dbraw/zinc/44/93/56/711449356.db2.gz YAIFHHPMFWRBKL-MRXNPFEDSA-N 2 0 346.475 1.940 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004148532 711561589 /nfs/dbraw/zinc/56/15/89/711561589.db2.gz SNFKCEQXWCHBLC-UHFFFAOYSA-N 2 0 334.464 1.722 20 0 EDADRP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)CC[C@@H]2C1 ZINC000946617293 711869437 /nfs/dbraw/zinc/86/94/37/711869437.db2.gz AOXCBYKPDVOAQD-OAGGEKHMSA-N 2 0 334.464 1.548 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1)C1CC1 ZINC000946623761 711925031 /nfs/dbraw/zinc/92/50/31/711925031.db2.gz PSMDPLDBPLPHLG-HLLBOEOZSA-N 2 0 347.463 1.080 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599116 712043226 /nfs/dbraw/zinc/04/32/26/712043226.db2.gz CJNABMKVCTYMBY-DOTOQJQBSA-N 2 0 335.492 1.166 20 0 EDADRP CN(C(=O)[C@H]1CCCc2nccn21)[C@H]1CCN(Cc2ccccn2)C1 ZINC001033151068 712115184 /nfs/dbraw/zinc/11/51/84/712115184.db2.gz HQKVQEBUGJRDMA-DLBZAZTESA-N 2 0 339.443 1.888 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ocnc3C)C[C@H]2CC1)[NH+](C)C ZINC000946642239 712126167 /nfs/dbraw/zinc/12/61/67/712126167.db2.gz AVDVDLOZTDFWOG-IXDOHACOSA-N 2 0 348.491 1.994 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nonc3C)C[C@H]2CC1)[NH+](C)C ZINC000946642929 712128999 /nfs/dbraw/zinc/12/89/99/712128999.db2.gz WEITZCHWNOQYNL-HLLBOEOZSA-N 2 0 349.479 1.389 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946677959 712369884 /nfs/dbraw/zinc/36/98/84/712369884.db2.gz RVKJSYHMOYTGNJ-IYBDPMFKSA-N 2 0 342.443 1.501 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000168062793 529374857 /nfs/dbraw/zinc/37/48/57/529374857.db2.gz ZCZOPBOYVAPIEJ-ZACQAIPSSA-N 2 0 325.497 1.853 20 0 EDADRP CN(C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000416829782 282239645 /nfs/dbraw/zinc/23/96/45/282239645.db2.gz GEJMUOLAXUFSAM-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000364574904 295693907 /nfs/dbraw/zinc/69/39/07/295693907.db2.gz AIZJVNLJJPMWCP-QUCCMNQESA-N 2 0 343.471 1.259 20 0 EDADRP C[NH+](C)[C@H]1CCCN(c2cc(N3CCC[C@H]([NH+](C)C)C3)ncn2)C1 ZINC000123559690 282256945 /nfs/dbraw/zinc/25/69/45/282256945.db2.gz PVRIYOKZCIJXJQ-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C[C@H]1CCC[C@@H]1[NH3+])[NH+]1CCOCC1 ZINC000340116734 282274837 /nfs/dbraw/zinc/27/48/37/282274837.db2.gz OAVNQQFHFZWTJM-IKGGRYGDSA-N 2 0 325.497 1.757 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000177995206 232053308 /nfs/dbraw/zinc/05/33/08/232053308.db2.gz GJYJVMRHQNIOPQ-UXLLHSPISA-N 2 0 339.505 1.592 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102426559 219202906 /nfs/dbraw/zinc/20/29/06/219202906.db2.gz XWZKDOTUSIMTJI-SFHVURJKSA-N 2 0 343.471 1.995 20 0 EDADRP c1cnc(N2CCN(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000560970702 306281391 /nfs/dbraw/zinc/28/13/91/306281391.db2.gz TXQGYLDFGGCULA-KSZLIROESA-N 2 0 344.507 1.109 20 0 EDADRP CC(C)(CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000561045710 306281860 /nfs/dbraw/zinc/28/18/60/306281860.db2.gz NDAVWEKIDMNGBO-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP O=C(CCc1c[nH]cn1)N[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1CO ZINC000248977784 539694720 /nfs/dbraw/zinc/69/47/20/539694720.db2.gz RMGWXEDQJPYXCY-WMZOPIPTSA-N 2 0 342.443 1.342 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000342975698 539768354 /nfs/dbraw/zinc/76/83/54/539768354.db2.gz JEAAMMMRWATVNX-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H](C(=O)NCc1ccc(Cl)cc1)N1CCN(c2ncc[nH]2)CC1 ZINC000562372020 306296730 /nfs/dbraw/zinc/29/67/30/306296730.db2.gz WYLSLIHRSSODCX-CYBMUJFWSA-N 2 0 347.850 1.890 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc3c(c1)OCCO3)CC[NH2+]CC2 ZINC000562968933 306313980 /nfs/dbraw/zinc/31/39/80/306313980.db2.gz CAUNHRQQTKVMNM-AWEZNQCLSA-N 2 0 345.443 1.860 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000362174214 540004769 /nfs/dbraw/zinc/00/47/69/540004769.db2.gz VFLSAQYXGYYZOA-XWTMOSNGSA-N 2 0 327.513 1.120 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCc3sc(Cl)cc32)CC1 ZINC000563001507 306315435 /nfs/dbraw/zinc/31/54/35/306315435.db2.gz VVAWNPSLNYGPEY-GXTWGEPZSA-N 2 0 343.924 1.977 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000165928645 540074225 /nfs/dbraw/zinc/07/42/25/540074225.db2.gz OLWNTQQLBAVBSA-RHSMWYFYSA-N 2 0 332.452 1.670 20 0 EDADRP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957829 138136769 /nfs/dbraw/zinc/13/67/69/138136769.db2.gz ILUQOVXHMVEZQS-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)C[NH+]1CCCC1 ZINC000563555698 306338640 /nfs/dbraw/zinc/33/86/40/306338640.db2.gz JGUCTENMPSENTK-RYQLBKOJSA-N 2 0 330.476 1.773 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CN(Cc3ccccc3)CCO2)CC[N@@H+]1C ZINC000123734592 138320801 /nfs/dbraw/zinc/32/08/01/138320801.db2.gz OKUPLUKTZDBHID-NEWSRXKRSA-N 2 0 345.487 1.829 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000351753717 283217871 /nfs/dbraw/zinc/21/78/71/283217871.db2.gz GMIACJFZSIDGMX-HZPDHXFCSA-N 2 0 340.512 1.166 20 0 EDADRP O=C(Nc1ccc(CN2CCOCC2)cc1)[C@@H]1CCn2ccnc2C1 ZINC000126259704 138337761 /nfs/dbraw/zinc/33/77/61/138337761.db2.gz RVFGIDANDMKBSP-MRXNPFEDSA-N 2 0 340.427 1.916 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000130579166 138342356 /nfs/dbraw/zinc/34/23/56/138342356.db2.gz NNPDUVTVGOPGBF-UHFFFAOYSA-N 2 0 349.523 1.729 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000563670592 306344582 /nfs/dbraw/zinc/34/45/82/306344582.db2.gz OFIITKJCDXRJBR-MSOLQXFVSA-N 2 0 349.450 1.660 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000564224464 306357667 /nfs/dbraw/zinc/35/76/67/306357667.db2.gz VKTOQMSIBLSUKB-HZPDHXFCSA-N 2 0 335.496 1.543 20 0 EDADRP CN1Cc2c(cccc2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1=O ZINC000564716896 306363439 /nfs/dbraw/zinc/36/34/39/306363439.db2.gz YFWCOVWTBRLUEE-UHFFFAOYSA-N 2 0 347.463 1.229 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000564937524 306370363 /nfs/dbraw/zinc/37/03/63/306370363.db2.gz NEQIXTHTTQOABP-KRWDZBQOSA-N 2 0 334.464 1.222 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000565354563 306382139 /nfs/dbraw/zinc/38/21/39/306382139.db2.gz OIAIOAGQRKBOHP-MISYRCLQSA-N 3 0 347.503 1.956 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)N[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000565588058 306387265 /nfs/dbraw/zinc/38/72/65/306387265.db2.gz VQGQHTZDYGBVCX-MSOLQXFVSA-N 2 0 345.491 1.026 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000565714170 306389529 /nfs/dbraw/zinc/38/95/29/306389529.db2.gz QQPCFOMJRHHEJA-MRXNPFEDSA-N 2 0 330.476 1.762 20 0 EDADRP C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000333702856 296063329 /nfs/dbraw/zinc/06/33/29/296063329.db2.gz RBRWYHYDTJXLQG-BRWVUGGUSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@@H](O)[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000414578565 304123256 /nfs/dbraw/zinc/12/32/56/304123256.db2.gz IERPALMJHRIBBU-OXQOHEQNSA-N 2 0 347.503 1.799 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](CCO)[C@@H]2CCCc3ccccc32)C1 ZINC000414694762 304128309 /nfs/dbraw/zinc/12/83/09/304128309.db2.gz NRUMTZDZCRYMCI-QFBILLFUSA-N 2 0 345.487 1.556 20 0 EDADRP CN(C[C@H]1CCCN(C(=O)C[NH3+])C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000414749232 304137106 /nfs/dbraw/zinc/13/71/06/304137106.db2.gz VTZOXTYLPLKNLB-QGZVFWFLSA-N 2 0 338.540 1.770 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(S(=O)(=O)N3CCCC3)cc2)C1 ZINC000566482590 306416177 /nfs/dbraw/zinc/41/61/77/306416177.db2.gz PDEVJABITYLEPD-CVEARBPZSA-N 2 0 337.489 1.831 20 0 EDADRP COCCN(C)c1ccc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cn1 ZINC000414783370 304140662 /nfs/dbraw/zinc/14/06/62/304140662.db2.gz ZATPBMORZVRBNA-MJGOQNOKSA-N 2 0 348.491 1.492 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000414842332 304146937 /nfs/dbraw/zinc/14/69/37/304146937.db2.gz YZEOQZNPZBXLBP-AWEZNQCLSA-N 2 0 332.448 1.145 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C(C)(C)C ZINC000414849449 304147723 /nfs/dbraw/zinc/14/77/23/304147723.db2.gz XNFSDHUKSULTFE-HNNXBMFYSA-N 2 0 334.464 1.566 20 0 EDADRP CC(C)(C)n1cc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000414990867 304148829 /nfs/dbraw/zinc/14/88/29/304148829.db2.gz RZXFHHSFUUCHOH-CYBMUJFWSA-N 2 0 333.402 1.564 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)c1C ZINC000415021693 304151370 /nfs/dbraw/zinc/15/13/70/304151370.db2.gz HTESETYSACXMHK-WKILWMFISA-N 2 0 336.480 1.918 20 0 EDADRP COc1cc(C[NH2+][C@H](C)CCC[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000415022880 304151649 /nfs/dbraw/zinc/15/16/49/304151649.db2.gz LXAFOJDMKDYTBR-OAHLLOKOSA-N 2 0 349.475 1.913 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000415023211 304151650 /nfs/dbraw/zinc/15/16/50/304151650.db2.gz WHPUQOYLSHPJOR-STQMWFEESA-N 2 0 341.477 1.174 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCC[N@@H+]1C ZINC000415029779 304152495 /nfs/dbraw/zinc/15/24/95/304152495.db2.gz BNFUTDIVILSBAP-BXUZGUMPSA-N 2 0 348.422 1.009 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000415061419 304155520 /nfs/dbraw/zinc/15/55/20/304155520.db2.gz CQYJAMMOPNDETM-AWEZNQCLSA-N 2 0 346.475 1.883 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000415077652 304158329 /nfs/dbraw/zinc/15/83/29/304158329.db2.gz HQNSVTJEAJXCCQ-NVXWUHKLSA-N 2 0 330.476 1.443 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000415089274 304158542 /nfs/dbraw/zinc/15/85/42/304158542.db2.gz YSKZLLFCUGTNDK-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP COc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415143587 304164288 /nfs/dbraw/zinc/16/42/88/304164288.db2.gz SWJHXKJZJCFXIW-SJORKVTESA-N 2 0 344.459 1.415 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000236868530 139033738 /nfs/dbraw/zinc/03/37/38/139033738.db2.gz LEZONSPDKDVJDG-MRXNPFEDSA-N 2 0 332.448 1.449 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000236978269 139036920 /nfs/dbraw/zinc/03/69/20/139036920.db2.gz YHFBXCSBOGSSJW-KRWDZBQOSA-N 2 0 331.460 1.633 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000237223325 139044961 /nfs/dbraw/zinc/04/49/61/139044961.db2.gz FFFOSUCUZUXKQM-GOSISDBHSA-N 2 0 333.476 1.835 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000237276728 139046271 /nfs/dbraw/zinc/04/62/71/139046271.db2.gz ZXJQAOYYMHSZPK-OAHLLOKOSA-N 2 0 325.478 1.324 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000237451131 139051609 /nfs/dbraw/zinc/05/16/09/139051609.db2.gz SCQGXBRLRSXBIL-HOCLYGCPSA-N 2 0 331.464 1.175 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[C@@H]2CSCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000237588390 139054989 /nfs/dbraw/zinc/05/49/89/139054989.db2.gz OSCXJLOPQACOFC-HYVNUMGLSA-N 2 0 333.501 1.861 20 0 EDADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000237930324 139064214 /nfs/dbraw/zinc/06/42/14/139064214.db2.gz FSONNKZJPAZKTM-KRWDZBQOSA-N 2 0 335.492 1.480 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000111838002 220202886 /nfs/dbraw/zinc/20/28/86/220202886.db2.gz IADIRUAGUBEVAD-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP Cc1cc(NC(=O)N[C@H](C[NH3+])C(C)(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000415253383 304179531 /nfs/dbraw/zinc/17/95/31/304179531.db2.gz PVAYXKFTMWAEMS-CQSZACIVSA-N 2 0 336.484 1.953 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CC[NH2+]CC3)cc2)CC1 ZINC000415280212 304184222 /nfs/dbraw/zinc/18/42/22/304184222.db2.gz FLGCYLHKSNVYKQ-UHFFFAOYSA-N 2 0 344.459 1.289 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1 ZINC000245933435 139090375 /nfs/dbraw/zinc/09/03/75/139090375.db2.gz VEGFOKQOJDSCJQ-FGTMMUONSA-N 2 0 325.497 1.017 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)C2)CC1 ZINC000567909578 306466289 /nfs/dbraw/zinc/46/62/89/306466289.db2.gz HGTDWIMJWUWQQD-PKOBYXMFSA-N 2 0 342.487 1.112 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000246786940 139121539 /nfs/dbraw/zinc/12/15/39/139121539.db2.gz ZTLOOQOFILTTEQ-JENIJYKNSA-N 2 0 342.524 1.984 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987183 139129746 /nfs/dbraw/zinc/12/97/46/139129746.db2.gz KMFPHCPPAPDKFB-WMZOPIPTSA-N 2 0 331.508 1.653 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415370602 304206620 /nfs/dbraw/zinc/20/66/20/304206620.db2.gz QTCSXAQCOVUWNH-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000415370493 304206723 /nfs/dbraw/zinc/20/67/23/304206723.db2.gz DBUXHZHNTBANBL-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308116 139144410 /nfs/dbraw/zinc/14/44/10/139144410.db2.gz VEHGALKJNUYOIV-NVXWUHKLSA-N 2 0 344.459 1.530 20 0 EDADRP O=S1(=O)CCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000248395598 139161888 /nfs/dbraw/zinc/16/18/88/139161888.db2.gz JMGPYMGBYTXTAF-AEFFLSMTSA-N 2 0 349.500 1.943 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H](CO)C(C)(C)C)c1ccccc1 ZINC000248403082 139162248 /nfs/dbraw/zinc/16/22/48/139162248.db2.gz XCKDRDZTEBWUEI-SJORKVTESA-N 2 0 335.492 1.744 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)c1ccccc1 ZINC000248403081 139162252 /nfs/dbraw/zinc/16/22/52/139162252.db2.gz XCKDRDZTEBWUEI-IAGOWNOFSA-N 2 0 335.492 1.744 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000339319604 284715834 /nfs/dbraw/zinc/71/58/34/284715834.db2.gz ZPGOOTNSQTXIEJ-HNNXBMFYSA-N 2 0 328.501 1.517 20 0 EDADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCN1C(=O)CCC1=O ZINC000092821144 218171837 /nfs/dbraw/zinc/17/18/37/218171837.db2.gz DNZSKBUKJFUVTA-UHFFFAOYSA-N 2 0 344.459 1.769 20 0 EDADRP C[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249098452 139185437 /nfs/dbraw/zinc/18/54/37/139185437.db2.gz MZNPCLWTNKEZJS-ATZDWAIDSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)C[C@H]1CCCOC1)c1ccccc1 ZINC000249271854 139190041 /nfs/dbraw/zinc/19/00/41/139190041.db2.gz BMMKVVVGNDIQNU-AEFFLSMTSA-N 2 0 333.476 1.764 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000415447058 304220733 /nfs/dbraw/zinc/22/07/33/304220733.db2.gz UBIRRWUHKTUXSR-ZBFHGGJFSA-N 2 0 346.475 1.315 20 0 EDADRP O=C(CN1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000261756622 139223473 /nfs/dbraw/zinc/22/34/73/139223473.db2.gz VGPOIBXWXGGLNY-OAHLLOKOSA-N 2 0 331.416 1.818 20 0 EDADRP C[NH2+][C@H](C)Cc1noc(CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000261866132 139232487 /nfs/dbraw/zinc/23/24/87/139232487.db2.gz UVMOMVYJXFPPSI-OAHLLOKOSA-N 2 0 329.448 1.585 20 0 EDADRP CC(C)N(C)c1cnn([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)c(=O)c1 ZINC000261884305 139233920 /nfs/dbraw/zinc/23/39/20/139233920.db2.gz WSQDBMAACSFWQX-KRWDZBQOSA-N 2 0 347.507 1.724 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@H]([NH3+])C2CCOCC2)[NH+](C)C)cc1 ZINC000261928248 139237830 /nfs/dbraw/zinc/23/78/30/139237830.db2.gz ZONPLAABPVXJDD-ROUUACIJSA-N 2 0 333.476 1.722 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@H]21 ZINC000261941491 139238785 /nfs/dbraw/zinc/23/87/85/139238785.db2.gz UUBIXSUBQHMTSY-KCPJHIHWSA-N 2 0 332.835 1.907 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)COCc1cccs1)CN1CC[NH+](C)CC1 ZINC000569232211 306500646 /nfs/dbraw/zinc/50/06/46/306500646.db2.gz NZJOYLGTUMVXPU-HOTGVXAUSA-N 2 0 341.521 1.099 20 0 EDADRP Cc1ccccc1[C@@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000262074857 139248887 /nfs/dbraw/zinc/24/88/87/139248887.db2.gz KGKXTNUOSOPRAJ-AEFFLSMTSA-N 2 0 331.460 1.579 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)C1 ZINC000262156491 139255978 /nfs/dbraw/zinc/25/59/78/139255978.db2.gz ICEAYFORIPUBTJ-OIISXLGYSA-N 2 0 347.507 1.350 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c1 ZINC000415553901 251007717 /nfs/dbraw/zinc/00/77/17/251007717.db2.gz GWOZCORHXKOLJS-CABCVRRESA-N 2 0 346.475 1.676 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000415977349 251042473 /nfs/dbraw/zinc/04/24/73/251042473.db2.gz XNLJTIUAIILBBS-QGZVFWFLSA-N 2 0 334.464 1.764 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415994990 251044269 /nfs/dbraw/zinc/04/42/69/251044269.db2.gz MKVFTZUPBZEJKF-ZIAGYGMSSA-N 2 0 346.397 1.738 20 0 EDADRP O=C(CC[NH+]1CCC(Cc2cccc(F)c2)CC1)N1CC[NH2+]CC1 ZINC000262225332 139261533 /nfs/dbraw/zinc/26/15/33/139261533.db2.gz UXPDOQNPNRUEAU-UHFFFAOYSA-N 2 0 333.451 1.902 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000262276299 139265850 /nfs/dbraw/zinc/26/58/50/139265850.db2.gz TWVOQDXNHJHUPP-ZFWWWQNUSA-N 2 0 349.431 1.146 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000416790590 251110920 /nfs/dbraw/zinc/11/09/20/251110920.db2.gz MYSZYCOPWLSAEV-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000416832896 251112838 /nfs/dbraw/zinc/11/28/38/251112838.db2.gz QSRVKIBWELRPFO-BZUAXINKSA-N 2 0 332.448 1.810 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262295187 139267466 /nfs/dbraw/zinc/26/74/66/139267466.db2.gz OOHUPNMGHCMXPE-RTBURBONSA-N 2 0 344.503 1.568 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000416877456 251115662 /nfs/dbraw/zinc/11/56/62/251115662.db2.gz UOJGSPODADWJRG-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262316250 139269418 /nfs/dbraw/zinc/26/94/18/139269418.db2.gz QVRFLJCERVNFBM-INIZCTEOSA-N 2 0 333.480 1.198 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000417011543 251131391 /nfs/dbraw/zinc/13/13/91/251131391.db2.gz SIGUEHVEOHOSGD-ZWKOTPCHSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417015283 251132879 /nfs/dbraw/zinc/13/28/79/251132879.db2.gz FJPOQBXOOPTGIZ-HZPDHXFCSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417023375 251136876 /nfs/dbraw/zinc/13/68/76/251136876.db2.gz PJSRUYUHWKRLJD-INIZCTEOSA-N 2 0 333.480 1.093 20 0 EDADRP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@@H](C)C3)cn2)C[C@H](C)O1 ZINC000416997068 251123451 /nfs/dbraw/zinc/12/34/51/251123451.db2.gz XKNDQOCBKCWKQS-SOUVJXGZSA-N 2 0 347.463 1.199 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000417173048 251144528 /nfs/dbraw/zinc/14/45/28/251144528.db2.gz KYVIRHPHOJRKIK-KBPBESRZSA-N 2 0 344.381 1.725 20 0 EDADRP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@@H]1O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262344896 139271873 /nfs/dbraw/zinc/27/18/73/139271873.db2.gz TZWQNDRVEXTTFI-LZQZEXGQSA-N 2 0 345.487 1.026 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262352880 139272529 /nfs/dbraw/zinc/27/25/29/139272529.db2.gz JIJMDROMAHYKQP-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000417569690 251192397 /nfs/dbraw/zinc/19/23/97/251192397.db2.gz RAMUQVVAHUPKJY-KRWDZBQOSA-N 2 0 338.496 1.271 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417687647 251229996 /nfs/dbraw/zinc/22/99/96/251229996.db2.gz VQUQZWMPKYLDMX-GDBMZVCRSA-N 2 0 326.485 1.304 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000417669580 251220759 /nfs/dbraw/zinc/22/07/59/251220759.db2.gz LXGWSOLOFODBFZ-OTBWCIGPSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)[NH3+] ZINC000417723802 251243677 /nfs/dbraw/zinc/24/36/77/251243677.db2.gz CMCGLRIBTVSOFM-OAHLLOKOSA-N 2 0 333.480 1.234 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417743438 251252162 /nfs/dbraw/zinc/25/21/62/251252162.db2.gz XBUVVKIUIGEVTJ-SFHVURJKSA-N 2 0 344.503 1.869 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000417752503 251255421 /nfs/dbraw/zinc/25/54/21/251255421.db2.gz RETSFGFXLIRBCQ-HZPDHXFCSA-N 2 0 326.485 1.256 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417752389 251255795 /nfs/dbraw/zinc/25/57/95/251255795.db2.gz MMQCWJUIPGAFFS-BRWVUGGUSA-N 2 0 339.528 1.029 20 0 EDADRP COC[C@@]1(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000417826162 251286323 /nfs/dbraw/zinc/28/63/23/251286323.db2.gz MLWTXIFMQPUWBH-IEBWSBKVSA-N 2 0 327.428 1.582 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000417846474 251295327 /nfs/dbraw/zinc/29/53/27/251295327.db2.gz UCZMTPFLXYPGTJ-LEOMRAHMSA-N 2 0 330.476 1.327 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)CC1 ZINC000417803909 251277046 /nfs/dbraw/zinc/27/70/46/251277046.db2.gz GFGFEGLSEKPCNP-HUUCEWRRSA-N 2 0 326.485 1.268 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC1 ZINC000417821528 251282556 /nfs/dbraw/zinc/28/25/56/251282556.db2.gz ZKJCYISGWUNHRF-QGZVFWFLSA-N 2 0 338.496 1.412 20 0 EDADRP [NH3+]CCCNC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417823939 251284033 /nfs/dbraw/zinc/28/40/33/251284033.db2.gz LFTPMGDQOMREOL-UHFFFAOYSA-N 2 0 348.491 1.706 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)CCC(F)(F)F ZINC000418078655 251321708 /nfs/dbraw/zinc/32/17/08/251321708.db2.gz OPSWAHQIJDHOSZ-YNEHKIRRSA-N 2 0 336.402 1.639 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000418434587 251369784 /nfs/dbraw/zinc/36/97/84/251369784.db2.gz FHELPYMGGDNELY-DLBZAZTESA-N 2 0 339.528 1.171 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000418476299 251373678 /nfs/dbraw/zinc/37/36/78/251373678.db2.gz SQJJQWSFNIIZAL-OAHLLOKOSA-N 2 0 333.480 1.924 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)c1ccco1 ZINC000418159856 251348483 /nfs/dbraw/zinc/34/84/83/251348483.db2.gz CWFKOJXGOHJRJJ-KKUMJFAQSA-N 2 0 338.452 1.468 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199149 251354754 /nfs/dbraw/zinc/35/47/54/251354754.db2.gz MWZUERBINGUXFL-HNNXBMFYSA-N 2 0 328.501 1.422 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418713804 251392815 /nfs/dbraw/zinc/39/28/15/251392815.db2.gz YFNWTNUJJRXLLG-SJORKVTESA-N 2 0 347.507 1.181 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418720145 251396645 /nfs/dbraw/zinc/39/66/45/251396645.db2.gz LGELOZDINZUTRL-CVEARBPZSA-N 2 0 328.501 1.504 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000418723032 251398653 /nfs/dbraw/zinc/39/86/53/251398653.db2.gz NJFOHJCEVPRNQU-GJZGRUSLSA-N 2 0 347.463 1.439 20 0 EDADRP [NH3+]C1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)C2CC3CC(C2)CC1C3 ZINC000418750685 251410139 /nfs/dbraw/zinc/41/01/39/251410139.db2.gz OZVRLIFAJMSXOL-MGMWPHTOSA-N 2 0 334.508 1.971 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000418677108 251383948 /nfs/dbraw/zinc/38/39/48/251383948.db2.gz AIYWTYHARLAAMB-ZWKOTPCHSA-N 2 0 330.476 1.725 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418688752 251385790 /nfs/dbraw/zinc/38/57/90/251385790.db2.gz FHFRGNXFDXUYKH-VQIMIIECSA-N 2 0 348.491 1.440 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419143156 251480180 /nfs/dbraw/zinc/48/01/80/251480180.db2.gz YYALFNFUKRTTPE-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262659155 139293788 /nfs/dbraw/zinc/29/37/88/139293788.db2.gz WNLJLWUAXCRXFD-INIZCTEOSA-N 2 0 348.491 1.131 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000262676982 139295613 /nfs/dbraw/zinc/29/56/13/139295613.db2.gz STFCVYUDRQLQQJ-HOTGVXAUSA-N 2 0 344.459 1.578 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000262705334 139297595 /nfs/dbraw/zinc/29/75/95/139297595.db2.gz DARFXJZABQYPJO-MRXNPFEDSA-N 2 0 333.480 1.658 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262800297 139304606 /nfs/dbraw/zinc/30/46/06/139304606.db2.gz NYIFKLLBEKEVLG-INIZCTEOSA-N 2 0 333.480 1.804 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422886488 252012451 /nfs/dbraw/zinc/01/24/51/252012451.db2.gz JERQUVWZTXTMOD-DAYGRLMNSA-N 3 0 332.492 1.599 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422907264 252017877 /nfs/dbraw/zinc/01/78/77/252017877.db2.gz WSEBMIBAYGKAII-INIZCTEOSA-N 2 0 339.505 1.947 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000422903417 252017326 /nfs/dbraw/zinc/01/73/26/252017326.db2.gz ONPRWOQEPZSPSD-CYBMUJFWSA-N 2 0 333.457 1.973 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000423042760 252027405 /nfs/dbraw/zinc/02/74/05/252027405.db2.gz MABWIODEOIGEDW-HOTGVXAUSA-N 2 0 347.438 1.743 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1)C(C)C ZINC000423414184 252054260 /nfs/dbraw/zinc/05/42/60/252054260.db2.gz MDHFMOKPHGUOPB-JKSUJKDBSA-N 2 0 340.512 1.149 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCN(c3ccnc(C)n3)CC2)cc1 ZINC000423781977 252071065 /nfs/dbraw/zinc/07/10/65/252071065.db2.gz LRYZGYNCVMFTCW-KRWDZBQOSA-N 2 0 325.416 1.442 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)COC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423841884 252089220 /nfs/dbraw/zinc/08/92/20/252089220.db2.gz ZYTZWEYKMORIPV-PKOBYXMFSA-N 2 0 345.443 1.078 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423857730 252093658 /nfs/dbraw/zinc/09/36/58/252093658.db2.gz YEZLPQDOFMLTTP-FUHWJXTLSA-N 2 0 333.476 1.782 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423801324 252081332 /nfs/dbraw/zinc/08/13/32/252081332.db2.gz SUUOFCFXARXVEQ-KSZLIROESA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424139537 252140688 /nfs/dbraw/zinc/14/06/88/252140688.db2.gz VNSYBXWYOKNTOK-HOTGVXAUSA-N 2 0 348.495 1.445 20 0 EDADRP Cc1cc(F)c(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)c(F)c1 ZINC000424144132 252140762 /nfs/dbraw/zinc/14/07/62/252140762.db2.gz KRCBVIJMJPLUPK-UHFFFAOYSA-N 2 0 341.446 1.753 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424156779 252147682 /nfs/dbraw/zinc/14/76/82/252147682.db2.gz OUBYUZKLJWIORM-HOTGVXAUSA-N 2 0 348.495 1.587 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CCC[NH+]2CCCC2)c1 ZINC000424469561 252242780 /nfs/dbraw/zinc/24/27/80/252242780.db2.gz QICOIONZJVMTLG-UHFFFAOYSA-N 2 0 332.448 1.337 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCC[C@]3(C)[NH3+])cn2)CC1 ZINC000262977097 139316427 /nfs/dbraw/zinc/31/64/27/139316427.db2.gz MJYGULVORHKFJB-LPHOPBHVSA-N 2 0 345.491 1.357 20 0 EDADRP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000263182019 139327032 /nfs/dbraw/zinc/32/70/32/139327032.db2.gz GUVRMDSRFRPYFD-RISCZKNCSA-N 2 0 336.233 1.667 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2csc(CN)n2)cc1 ZINC000263255792 139331264 /nfs/dbraw/zinc/33/12/64/139331264.db2.gz KYECWTFUFUVDIO-UHFFFAOYSA-N 2 0 347.444 1.744 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000415668455 304252496 /nfs/dbraw/zinc/25/24/96/304252496.db2.gz GDSXVPBXZUVSCE-PBHICJAKSA-N 2 0 346.475 1.724 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000570147081 306531325 /nfs/dbraw/zinc/53/13/25/306531325.db2.gz KWBNLQIMKXOWBM-DLBZAZTESA-N 2 0 340.512 1.442 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000415751215 304265001 /nfs/dbraw/zinc/26/50/01/304265001.db2.gz VPYQAQDXSUSOHY-BBRMVZONSA-N 2 0 332.448 1.415 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2[nH]ccc2c1 ZINC000449879821 254649532 /nfs/dbraw/zinc/64/95/32/254649532.db2.gz JZKWIPXMBOTEHM-UHFFFAOYSA-N 2 0 331.464 1.860 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000337816196 285262701 /nfs/dbraw/zinc/26/27/01/285262701.db2.gz QSRHCPRRXGWBCY-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000496260597 255372193 /nfs/dbraw/zinc/37/21/93/255372193.db2.gz DAKDPAZDCWGTLY-SUMWQHHRSA-N 2 0 338.452 1.865 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC[NH+](C)C)cc2)C1 ZINC000118093914 221114862 /nfs/dbraw/zinc/11/48/62/221114862.db2.gz YVPIAAWOZXGXFS-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000362988871 285316886 /nfs/dbraw/zinc/31/68/86/285316886.db2.gz GQRKZLVBNHUZDG-HXUWFJFHSA-N 2 0 344.503 1.143 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000154937796 224329466 /nfs/dbraw/zinc/32/94/66/224329466.db2.gz VJYYSCZNTLZNBF-HNNXBMFYSA-N 2 0 334.464 1.626 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC1=CC[NH2+]CC1 ZINC000415881560 304283995 /nfs/dbraw/zinc/28/39/95/304283995.db2.gz VCMQUEIEIVNKQX-UHFFFAOYSA-N 2 0 344.459 1.421 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000415911354 304284799 /nfs/dbraw/zinc/28/47/99/304284799.db2.gz XYZPGDNNTVALSJ-UHFFFAOYSA-N 2 0 334.464 1.622 20 0 EDADRP CC[N@H+](CCCO)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000270738002 140159077 /nfs/dbraw/zinc/15/90/77/140159077.db2.gz POCTTXFFKSWGIF-QGZVFWFLSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000270886996 140190440 /nfs/dbraw/zinc/19/04/40/140190440.db2.gz BQYLRXXUVZAYGB-QGZVFWFLSA-N 2 0 333.476 1.545 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000270903690 140195098 /nfs/dbraw/zinc/19/50/98/140195098.db2.gz ROBPLHCEUZJDFR-QZTJIDSGSA-N 2 0 333.476 1.326 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000270910720 140196653 /nfs/dbraw/zinc/19/66/53/140196653.db2.gz BHQOEFGHXBNPFA-INIZCTEOSA-N 2 0 331.460 1.129 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331352192 141010668 /nfs/dbraw/zinc/01/06/68/141010668.db2.gz ONKZEVRKCJCGIJ-SJORKVTESA-N 2 0 339.524 1.704 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000333186679 141277804 /nfs/dbraw/zinc/27/78/04/141277804.db2.gz NANKVQSVCSIJCW-HNSVSWJLSA-N 2 0 338.496 1.098 20 0 EDADRP C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C[NH3+] ZINC000333580545 141340196 /nfs/dbraw/zinc/34/01/96/141340196.db2.gz NQWOJJGBWUHXOH-DOTOQJQBSA-N 2 0 345.491 1.924 20 0 EDADRP C[C@@H]1C[N@H+](CC[C@H]2CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333647996 141350173 /nfs/dbraw/zinc/35/01/73/141350173.db2.gz JILSMNFAMZSJTD-HUUCEWRRSA-N 2 0 329.452 1.025 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000333766419 141376444 /nfs/dbraw/zinc/37/64/44/141376444.db2.gz BIEBKVWYSRBGML-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CCCCC1 ZINC000333845364 141392854 /nfs/dbraw/zinc/39/28/54/141392854.db2.gz PBLUJMBPWCKAEI-QGZVFWFLSA-N 2 0 338.496 1.400 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339318524 142013460 /nfs/dbraw/zinc/01/34/60/142013460.db2.gz SSPIXKLIJJDNAU-OWCLPIDISA-N 2 0 328.501 1.230 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC2CC[NH+](CCCOC)CC2)CC1 ZINC000339321406 142014535 /nfs/dbraw/zinc/01/45/35/142014535.db2.gz SLHYVGIENVKNPD-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)NCC[N@H+](C)CCOC)CC1 ZINC000339366502 142028432 /nfs/dbraw/zinc/02/84/32/142028432.db2.gz QDJCWOSDWBQYDD-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000339560582 142077535 /nfs/dbraw/zinc/07/75/35/142077535.db2.gz DJFIYHRYSXKSSQ-KRWDZBQOSA-N 2 0 340.512 1.326 20 0 EDADRP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000343045803 142791103 /nfs/dbraw/zinc/79/11/03/142791103.db2.gz OJDJWQLNFFFULI-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CC[C@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@@H+]1C[C@@H](C)O ZINC000345307634 143076117 /nfs/dbraw/zinc/07/61/17/143076117.db2.gz ALHLWQCMNKEPIG-CVEARBPZSA-N 2 0 328.501 1.205 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1C[C@H](C)O ZINC000345487666 143097223 /nfs/dbraw/zinc/09/72/23/143097223.db2.gz MOJWGKBAGADMOF-HZMVEIRTSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H]1[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC[N@@H+]1C ZINC000345755376 143129465 /nfs/dbraw/zinc/12/94/65/143129465.db2.gz RYHXOSIWCCQREY-DLBZAZTESA-N 3 0 341.544 1.384 20 0 EDADRP CC[C@H](C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1)[NH+](CC)CC ZINC000346127379 143170360 /nfs/dbraw/zinc/17/03/60/143170360.db2.gz VQLHEILIXPYMKM-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346130971 143170839 /nfs/dbraw/zinc/17/08/39/143170839.db2.gz ACFYDHZLDFGJBD-BBWFWOEESA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000346207023 143179016 /nfs/dbraw/zinc/17/90/16/143179016.db2.gz RUNLXTVLBMGZEL-DNVCBOLYSA-N 2 0 341.459 1.728 20 0 EDADRP CCO[C@H](C)c1noc(CN2CCN(CCn3ccnc3C)CC2)n1 ZINC000346315503 143190844 /nfs/dbraw/zinc/19/08/44/143190844.db2.gz SOYYUOQHDYRCDY-CQSZACIVSA-N 2 0 348.451 1.490 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346819211 143248761 /nfs/dbraw/zinc/24/87/61/143248761.db2.gz ICLMLZACXZWGKX-NVXWUHKLSA-N 2 0 325.497 1.581 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346979658 143268045 /nfs/dbraw/zinc/26/80/45/143268045.db2.gz MYQJNWNTTSZSHJ-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347049661 143276485 /nfs/dbraw/zinc/27/64/85/143276485.db2.gz NOLHZZSCUUEPAZ-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)N1CC[NH2+]CC1 ZINC000347100518 143282876 /nfs/dbraw/zinc/28/28/76/143282876.db2.gz LFFSLAAPCDPNNX-INIZCTEOSA-N 2 0 345.443 1.102 20 0 EDADRP Cc1ncc([C@H](C)[NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)n1 ZINC000347162578 143289556 /nfs/dbraw/zinc/28/95/56/143289556.db2.gz IATWKMSZSDIEHD-WMLDXEAASA-N 2 0 335.496 1.837 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c(-c2ccccc2)n1 ZINC000347194316 143293407 /nfs/dbraw/zinc/29/34/07/143293407.db2.gz GRNNVSFFXUIQLW-INIZCTEOSA-N 2 0 341.459 1.374 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@]3(C)CCC[NH2+]C3)CCCC2)CC1 ZINC000353583980 292169544 /nfs/dbraw/zinc/16/95/44/292169544.db2.gz XYRJGBBHUYOLGY-SFHVURJKSA-N 2 0 337.508 1.916 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000416856047 304352054 /nfs/dbraw/zinc/35/20/54/304352054.db2.gz QRDUAUPGTLSVQF-WMZOPIPTSA-N 2 0 346.475 1.883 20 0 EDADRP COc1ccc(C[C@@H](C)C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)cc1F ZINC000352699603 149121432 /nfs/dbraw/zinc/12/14/32/149121432.db2.gz BDGFZDKGTQSYKU-WBVHZDCISA-N 2 0 335.467 1.992 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc21 ZINC000352887259 149204408 /nfs/dbraw/zinc/20/44/08/149204408.db2.gz SDHRPRMFUQOELR-UHFFFAOYSA-N 2 0 343.475 1.903 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000416965073 304356462 /nfs/dbraw/zinc/35/64/62/304356462.db2.gz WYFHSDWVGPHYCV-ZACQAIPSSA-N 2 0 339.528 1.027 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000416965062 304356494 /nfs/dbraw/zinc/35/64/94/304356494.db2.gz WYFHSDWVGPHYCV-BRWVUGGUSA-N 2 0 339.528 1.027 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416967772 304356968 /nfs/dbraw/zinc/35/69/68/304356968.db2.gz HNTICBDJALEEFD-KLHDSHLOSA-N 2 0 348.491 1.831 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416968256 304357019 /nfs/dbraw/zinc/35/70/19/304357019.db2.gz AFGPYNLYRYZDMN-MRXNPFEDSA-N 2 0 345.491 1.877 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000416973151 304358131 /nfs/dbraw/zinc/35/81/31/304358131.db2.gz IIDWKOCCIQKSIS-JQHSSLGASA-N 2 0 346.475 1.506 20 0 EDADRP CN(C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000416973166 304358266 /nfs/dbraw/zinc/35/82/66/304358266.db2.gz JIXFXKDVBQKPFJ-UHFFFAOYSA-N 2 0 330.476 1.825 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416974458 304358572 /nfs/dbraw/zinc/35/85/72/304358572.db2.gz LDFOJCZDYOSIBW-MRXNPFEDSA-N 2 0 336.480 1.800 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1 ZINC000416976945 304359205 /nfs/dbraw/zinc/35/92/05/304359205.db2.gz ALQHZORCPYZPBK-UKRRQHHQSA-N 2 0 335.452 1.089 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000416979010 304359929 /nfs/dbraw/zinc/35/99/29/304359929.db2.gz WNNILBWUVNWXJL-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000416977851 304359701 /nfs/dbraw/zinc/35/97/01/304359701.db2.gz UPVRPOZXLCXZBD-SJPCQFCGSA-N 2 0 346.475 1.709 20 0 EDADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354890456 150013510 /nfs/dbraw/zinc/01/35/10/150013510.db2.gz DNZANQJSRFROTD-XUWVNRHRSA-N 2 0 339.480 1.249 20 0 EDADRP C[N@H+](CCCNC(=O)NCC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000354959476 150054863 /nfs/dbraw/zinc/05/48/63/150054863.db2.gz LHLQYFXZWKHJFQ-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000355065774 150100805 /nfs/dbraw/zinc/10/08/05/150100805.db2.gz WBEJZGFPVSLXGZ-IBGZPJMESA-N 2 0 349.475 1.934 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)c1 ZINC000416986253 304361943 /nfs/dbraw/zinc/36/19/43/304361943.db2.gz RDSSDOSGWWUHOT-SFHVURJKSA-N 2 0 348.491 1.788 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)Cc3cn4ccccc4n3)[C@@H]2C1 ZINC000355341213 150223691 /nfs/dbraw/zinc/22/36/91/150223691.db2.gz VZLPRKFCFGCZKK-HZPDHXFCSA-N 2 0 328.416 1.198 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[NH+](C3CCC3)CC2)CC1 ZINC000355380539 150243374 /nfs/dbraw/zinc/24/33/74/150243374.db2.gz GJWVOUAJPNFQJZ-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP O=C([C@@H]1C[C@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357926915 151198740 /nfs/dbraw/zinc/19/87/40/151198740.db2.gz KPIMINGKLWANIO-BJLQDIEVSA-N 2 0 343.471 1.224 20 0 EDADRP CSC1(CNC(=O)NCC2([NH+](C)C)CCC2)CC[NH+](C)CC1 ZINC000357958564 151211363 /nfs/dbraw/zinc/21/13/63/151211363.db2.gz VUXKRLOTNRMPSQ-UHFFFAOYSA-N 2 0 328.526 1.597 20 0 EDADRP CC[C@@H](C(=O)N1CCN(c2cc[nH+]cc2OC)CC1)[NH+](CC)CC ZINC000358287285 151326352 /nfs/dbraw/zinc/32/63/52/151326352.db2.gz HUVUKAAKULKHHP-HNNXBMFYSA-N 2 0 334.464 1.859 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000358495400 151395250 /nfs/dbraw/zinc/39/52/50/151395250.db2.gz DJIGCSNPLMPXHE-CYBMUJFWSA-N 2 0 342.434 1.988 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000359360186 151692699 /nfs/dbraw/zinc/69/26/99/151692699.db2.gz LIAUPFYHHQYKAJ-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+]1CC[C@H]2CCN(C/C=C/CN3CC[C@H]4CC[N@@H+](C)[C@H]4C3)C[C@H]21 ZINC000370084026 155317189 /nfs/dbraw/zinc/31/71/89/155317189.db2.gz UEXWFHISPWCQOP-XVFFXJCESA-N 2 0 332.536 1.595 20 0 EDADRP CSC1(CNC(=O)N2CC[NH+](CC(C)C)CC2)CC[NH+](C)CC1 ZINC000360695247 152157219 /nfs/dbraw/zinc/15/72/19/152157219.db2.gz OKJPENDSRAIQTQ-UHFFFAOYSA-N 2 0 342.553 1.797 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360749445 152184683 /nfs/dbraw/zinc/18/46/83/152184683.db2.gz ZIIXMIZFJIHDOQ-HLLBOEOZSA-N 2 0 340.537 1.692 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000360782325 152202492 /nfs/dbraw/zinc/20/24/92/152202492.db2.gz CJRAVVWDUIIBRO-KRWDZBQOSA-N 2 0 341.544 1.386 20 0 EDADRP CC[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000360939607 152257935 /nfs/dbraw/zinc/25/79/35/152257935.db2.gz BNMUDCVMRGOJOX-PKOBYXMFSA-N 2 0 332.492 1.998 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)c1cc([C@@H]2CC[NH2+]C2)[nH]n1 ZINC000361080079 152296886 /nfs/dbraw/zinc/29/68/86/152296886.db2.gz MYHAZIVBQASBSX-LLVKDONJSA-N 2 0 327.388 1.221 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000361109685 152308830 /nfs/dbraw/zinc/30/88/30/152308830.db2.gz NPZIHHPLRLLWKV-ZWKOTPCHSA-N 3 0 346.523 1.451 20 0 EDADRP CC[NH2+]CCNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417156522 304378687 /nfs/dbraw/zinc/37/86/87/304378687.db2.gz SNIPDWSDQKUFHS-UHFFFAOYSA-N 2 0 347.507 1.498 20 0 EDADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@H](CNc3ccccn3)C2)C1 ZINC000367274396 154062891 /nfs/dbraw/zinc/06/28/91/154062891.db2.gz MCDVLGQVKPEFOB-HUUCEWRRSA-N 2 0 338.477 1.097 20 0 EDADRP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367588727 154189198 /nfs/dbraw/zinc/18/91/98/154189198.db2.gz NPAUENKKTOCIMH-ZACQAIPSSA-N 2 0 337.489 1.557 20 0 EDADRP C[C@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000417355808 304394521 /nfs/dbraw/zinc/39/45/21/304394521.db2.gz DWWDCYVYZZFDEZ-HOTGVXAUSA-N 2 0 348.491 1.814 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCCCC(=O)N1 ZINC000369048183 154843247 /nfs/dbraw/zinc/84/32/47/154843247.db2.gz NLDQEKKADSXFBZ-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000369658435 155122822 /nfs/dbraw/zinc/12/28/22/155122822.db2.gz DGMRNAMPSIGEHH-ZACQAIPSSA-N 2 0 325.497 1.819 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000371621610 156032852 /nfs/dbraw/zinc/03/28/52/156032852.db2.gz JAXYMCZMJYBQQQ-IRXDYDNUSA-N 2 0 343.475 1.190 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458420722 292335426 /nfs/dbraw/zinc/33/54/26/292335426.db2.gz AUUGLGFMOXHIOU-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000372335044 156339395 /nfs/dbraw/zinc/33/93/95/156339395.db2.gz USGMPIDQIQIVLY-GDBMZVCRSA-N 2 0 331.526 1.287 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000372431475 156386510 /nfs/dbraw/zinc/38/65/10/156386510.db2.gz NBACUQCRABHWSW-FRQCXROJSA-N 2 0 343.427 1.534 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417547842 304404615 /nfs/dbraw/zinc/40/46/15/304404615.db2.gz PIIWIGWXNDPYKV-ZBFHGGJFSA-N 2 0 340.512 1.693 20 0 EDADRP COCc1nc(C)cc(N2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000374253514 157213536 /nfs/dbraw/zinc/21/35/36/157213536.db2.gz IKBAHWGCWWMICP-OAHLLOKOSA-N 2 0 333.480 1.536 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1)C1CCOCC1 ZINC000374603409 157341670 /nfs/dbraw/zinc/34/16/70/157341670.db2.gz MSJCAJKNKYJKGV-OALUTQOASA-N 2 0 345.487 1.564 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000378008957 158055090 /nfs/dbraw/zinc/05/50/90/158055090.db2.gz WYMKLLPPJIXUQC-CRAIPNDOSA-N 2 0 342.503 1.341 20 0 EDADRP C[N@@H+](CC(=O)NC1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378542048 158204961 /nfs/dbraw/zinc/20/49/61/158204961.db2.gz SWRLICLHJZYODJ-UHFFFAOYSA-N 2 0 346.475 1.525 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000361335076 162302637 /nfs/dbraw/zinc/30/26/37/162302637.db2.gz JUIRYASNQAXARX-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C[C@@H](C)O ZINC000418766471 287140351 /nfs/dbraw/zinc/14/03/51/287140351.db2.gz KSIQVKSMEOAWBP-BZUAXINKSA-N 2 0 326.485 1.005 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000345357909 287140451 /nfs/dbraw/zinc/14/04/51/287140451.db2.gz VOFVHEOQFDOUAW-JKSUJKDBSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)(C)C[NH+](C)C ZINC000121206772 287368503 /nfs/dbraw/zinc/36/85/03/287368503.db2.gz ZUEAAXAYBMFWIH-OAHLLOKOSA-N 2 0 342.528 1.451 20 0 EDADRP Cc1ccc2c(c1)[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000121080933 287367819 /nfs/dbraw/zinc/36/78/19/287367819.db2.gz KQHUZRGVQXXMTI-MRXNPFEDSA-N 2 0 334.464 1.563 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000169106306 226231333 /nfs/dbraw/zinc/23/13/33/226231333.db2.gz FXHOCSAQNIXGPG-TXPKVOOTSA-N 2 0 345.487 1.940 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418375227 304487733 /nfs/dbraw/zinc/48/77/33/304487733.db2.gz DQHSWKJZXZNDDA-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000120404872 221569603 /nfs/dbraw/zinc/56/96/03/221569603.db2.gz ZDGNRYFFAROZMV-MRXNPFEDSA-N 2 0 333.476 1.964 20 0 EDADRP CCCCNC(=O)NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123121037 222219835 /nfs/dbraw/zinc/21/98/35/222219835.db2.gz GSKYYBMTTAOIDO-UHFFFAOYSA-N 2 0 326.485 1.666 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418479016 304500237 /nfs/dbraw/zinc/50/02/37/304500237.db2.gz ZZEIPJDLRKWNPS-MRXNPFEDSA-N 2 0 340.512 1.790 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418480858 304500501 /nfs/dbraw/zinc/50/05/01/304500501.db2.gz CVNVCQOLYKCASP-IFUGULHKSA-N 2 0 326.391 1.304 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccco1 ZINC000418158781 287623270 /nfs/dbraw/zinc/62/32/70/287623270.db2.gz BMZIGDXVQGNDMZ-SRVKXCTJSA-N 2 0 332.395 1.991 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000192800972 272986741 /nfs/dbraw/zinc/98/67/41/272986741.db2.gz UPXDWGRTFCWYPO-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000248609233 273016471 /nfs/dbraw/zinc/01/64/71/273016471.db2.gz KNXBQEWPGUDJOA-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000278246892 273256645 /nfs/dbraw/zinc/25/66/45/273256645.db2.gz MDQDZQPRHVZHMW-PBHICJAKSA-N 2 0 335.448 1.710 20 0 EDADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000282644836 273693770 /nfs/dbraw/zinc/69/37/70/273693770.db2.gz LJMIXWGDXVIWKI-HNNXBMFYSA-N 2 0 342.491 1.610 20 0 EDADRP CC1CCC(NC(=O)CN2CC[NH+](CC3CC[NH2+]CC3)CC2)CC1 ZINC000178980141 275930743 /nfs/dbraw/zinc/93/07/43/275930743.db2.gz UOFJEQKLLAJZMJ-UHFFFAOYSA-N 2 0 336.524 1.299 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)[C@H]([NH3+])C3CCOCC3)C2)CC1 ZINC000261617117 276198968 /nfs/dbraw/zinc/19/89/68/276198968.db2.gz BWTJGJKTPVOONW-SJLPKXTDSA-N 2 0 337.508 1.711 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345102514 276361193 /nfs/dbraw/zinc/36/11/93/276361193.db2.gz HHJFAOWIKSFOCG-FGTMMUONSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O)c1ccccc1 ZINC000189462841 276789385 /nfs/dbraw/zinc/78/93/85/276789385.db2.gz ZJKDXNWGBYRJJY-GVDBMIGSSA-N 2 0 346.475 1.039 20 0 EDADRP CN1C(=O)C[C@H]([N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1=O ZINC000370681194 277013707 /nfs/dbraw/zinc/01/37/07/277013707.db2.gz AFXOFVYBINNCDV-KRWDZBQOSA-N 2 0 341.455 1.732 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283283 277319550 /nfs/dbraw/zinc/31/95/50/277319550.db2.gz UIQZLKOVSDPLKT-IAGOWNOFSA-N 2 0 347.459 1.090 20 0 EDADRP C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000443335095 278299982 /nfs/dbraw/zinc/29/99/82/278299982.db2.gz OCLIPCLGCGRATF-KCITZHQASA-N 2 0 347.503 1.887 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000090232050 288103031 /nfs/dbraw/zinc/10/30/31/288103031.db2.gz DBCKMDDHVFVXES-IOASZLSFSA-N 2 0 329.510 1.261 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417089331 279126991 /nfs/dbraw/zinc/12/69/91/279126991.db2.gz OFWLBDBVRKPAPX-JKSUJKDBSA-N 2 0 340.512 1.360 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1)c1ccccc1 ZINC000347184493 279140644 /nfs/dbraw/zinc/14/06/44/279140644.db2.gz DIBAURDFUAVSIL-IEBWSBKVSA-N 2 0 347.503 1.985 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C)C[NH+](C)C)CC2)c1 ZINC000286962651 288126447 /nfs/dbraw/zinc/12/64/47/288126447.db2.gz LHBQBXLYNJQEFD-KRWDZBQOSA-N 2 0 332.492 1.573 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCOC1 ZINC000354348403 279466802 /nfs/dbraw/zinc/46/68/02/279466802.db2.gz NXLGRRCDCBRCDK-IRXDYDNUSA-N 2 0 333.480 1.393 20 0 EDADRP C[C@@H]1C[N@@H+](CC2(CN3C[C@@H](C)[NH+](C)[C@@H](C)C3)COC2)C[C@H](C)N1C ZINC000339621739 288149468 /nfs/dbraw/zinc/14/94/68/288149468.db2.gz JHUWUVROCHRFFQ-USTZCAOPSA-N 2 0 338.540 1.052 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000248441924 280360829 /nfs/dbraw/zinc/36/08/29/280360829.db2.gz AIDKEZHGNMYCKD-CAOSSQGBSA-N 2 0 338.496 1.098 20 0 EDADRP C[C@@H]1C[N@@H+]([C@H]2Cc3ccccc3[C@@H]2O)CCN1C1CC[NH+](C)CC1 ZINC000374609352 288255059 /nfs/dbraw/zinc/25/50/59/288255059.db2.gz DVDZQFHOIIKQNR-XPGWFJOJSA-N 2 0 329.488 1.745 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000287952685 288365150 /nfs/dbraw/zinc/36/51/50/288365150.db2.gz HAAQOBYEDWQHRJ-SZMVWBNQSA-N 2 0 348.491 1.119 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C(=O)N[C@@H](C)C[NH+](C)C)s1 ZINC000288029113 288385202 /nfs/dbraw/zinc/38/52/02/288385202.db2.gz DAMMYQIRPMQZCW-RYUDHWBXSA-N 2 0 340.493 1.108 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290043490 288827364 /nfs/dbraw/zinc/82/73/64/288827364.db2.gz GRUGYPQFEYDYBQ-QZTJIDSGSA-N 2 0 342.487 1.267 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000494841580 289132083 /nfs/dbraw/zinc/13/20/83/289132083.db2.gz DMGUUVPFJXNHML-UHFFFAOYSA-N 2 0 335.496 1.099 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433007814 289224111 /nfs/dbraw/zinc/22/41/11/289224111.db2.gz BBGXZADOHQHHHB-OAHLLOKOSA-N 2 0 325.478 1.320 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCCC23CC[NH+](C)CC3)CCSC1 ZINC000352480446 289399615 /nfs/dbraw/zinc/39/96/15/289399615.db2.gz CBRVZRFISQMUJI-KRWDZBQOSA-N 2 0 340.537 1.694 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000178690841 289696495 /nfs/dbraw/zinc/69/64/95/289696495.db2.gz GPOHSOBAEXGCAR-LNPFQXMTSA-N 2 0 337.533 1.958 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2ccc3c(c2)CC[NH2+]CC3)C1 ZINC000423785307 290175957 /nfs/dbraw/zinc/17/59/57/290175957.db2.gz RMHFMPNVWQLDKG-RBUKOAKNSA-N 2 0 327.472 1.931 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000418537172 304509422 /nfs/dbraw/zinc/50/94/22/304509422.db2.gz JMTJDWFDKZVFIP-PKOBYXMFSA-N 2 0 348.491 1.987 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418645047 304524352 /nfs/dbraw/zinc/52/43/52/304524352.db2.gz RAYXHGBFPPUXHH-QGZVFWFLSA-N 2 0 347.507 1.933 20 0 EDADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074302 298119253 /nfs/dbraw/zinc/11/92/53/298119253.db2.gz JOJGTOQYJLEIOG-CQSZACIVSA-N 2 0 338.496 1.807 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000377560727 300573836 /nfs/dbraw/zinc/57/38/36/300573836.db2.gz FMDZTBWEWQLKTC-GDLHICMESA-N 2 0 337.414 1.915 20 0 EDADRP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000420375481 304753396 /nfs/dbraw/zinc/75/33/96/304753396.db2.gz OIXSXUMFQGSBHN-YJBOKZPZSA-N 2 0 330.476 1.178 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000448465884 447321555 /nfs/dbraw/zinc/32/15/55/447321555.db2.gz KDUPSJQVDGBYJI-QGZVFWFLSA-N 2 0 342.528 1.574 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424135272 302906351 /nfs/dbraw/zinc/90/63/51/302906351.db2.gz OTEJSAAZTANMNM-HZPDHXFCSA-N 2 0 345.491 1.588 20 0 EDADRP C[C@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000294013465 303051896 /nfs/dbraw/zinc/05/18/96/303051896.db2.gz IUXVRWJTSBWVNW-OAHLLOKOSA-N 2 0 329.448 1.904 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)[N@H+]1C ZINC000296380629 303313620 /nfs/dbraw/zinc/31/36/20/303313620.db2.gz OVQDAQZWFGGOED-IYBDPMFKSA-N 2 0 345.491 1.780 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000420455053 303377617 /nfs/dbraw/zinc/37/76/17/303377617.db2.gz MDAFVKGHJWMCFR-UHFFFAOYSA-N 2 0 340.276 1.682 20 0 EDADRP O=C(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)NCCc1ccccc1 ZINC000298556369 303534542 /nfs/dbraw/zinc/53/45/42/303534542.db2.gz VIXFKZFQUTVZRN-UHFFFAOYSA-N 2 0 338.455 1.999 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@]1(C)CCC[NH2+]C1)C(C)C ZINC000419665055 447332020 /nfs/dbraw/zinc/33/20/20/447332020.db2.gz NOEZQVRTHHPLKF-GOSISDBHSA-N 2 0 340.512 1.117 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338834897 303801128 /nfs/dbraw/zinc/80/11/28/303801128.db2.gz PKXYGRHINUDABG-HNNXBMFYSA-N 2 0 337.508 1.412 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414884006 447343535 /nfs/dbraw/zinc/34/35/35/447343535.db2.gz UFACHLJGSHWZDK-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422722963 304879413 /nfs/dbraw/zinc/87/94/13/304879413.db2.gz ZFFCCXRHWGVAHD-SJLPKXTDSA-N 2 0 335.492 1.874 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC[NH2+]CC1 ZINC000423018670 304883118 /nfs/dbraw/zinc/88/31/18/304883118.db2.gz RRDITKZGMPIWDZ-ZJIFWQFVSA-N 2 0 336.476 1.855 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423020582 304883141 /nfs/dbraw/zinc/88/31/41/304883141.db2.gz CBBHELGXBMYXHO-XHDPSFHLSA-N 2 0 343.830 1.928 20 0 EDADRP Fc1ccc(N2CCC([NH2+]CCCN3CC[NH2+]CC3)CC2)c(F)c1 ZINC000423188966 304888822 /nfs/dbraw/zinc/88/88/22/304888822.db2.gz ZZFIUVXJKXUKIJ-UHFFFAOYSA-N 2 0 338.446 1.819 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@@H](C)O1 ZINC000423298764 304891605 /nfs/dbraw/zinc/89/16/05/304891605.db2.gz AGENIPXWGGOXDM-INMHGKMJSA-N 2 0 349.479 1.037 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000423330119 304892665 /nfs/dbraw/zinc/89/26/65/304892665.db2.gz LXOKWDZYXLUEPZ-HUUCEWRRSA-N 2 0 331.460 1.522 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423412903 304894843 /nfs/dbraw/zinc/89/48/43/304894843.db2.gz XNQXKWLJMHRZRK-NWANDNLSSA-N 2 0 325.250 1.476 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC1(C[NH3+])CC1 ZINC000423739484 304907053 /nfs/dbraw/zinc/90/70/53/304907053.db2.gz FWOFXPVLMDXYJT-UHFFFAOYSA-N 2 0 325.403 1.984 20 0 EDADRP C[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C[NH3+] ZINC000424011244 304924949 /nfs/dbraw/zinc/92/49/49/304924949.db2.gz IVXHCWRAYXZYIQ-SJORKVTESA-N 2 0 345.491 1.037 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[NH2+]CC2)CC1 ZINC000430590655 305057622 /nfs/dbraw/zinc/05/76/22/305057622.db2.gz IBPBBWGIAHUIFO-UHFFFAOYSA-N 2 0 344.503 1.325 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CCOc2cccc(F)c2)C1)N1CC[NH2+]CC1 ZINC000430609102 305058508 /nfs/dbraw/zinc/05/85/08/305058508.db2.gz GOGZSSRCYRYHNC-OAHLLOKOSA-N 2 0 335.423 1.348 20 0 EDADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430609371 305058587 /nfs/dbraw/zinc/05/85/87/305058587.db2.gz HIIXDMYHLLMUKD-JKSUJKDBSA-N 2 0 346.475 1.417 20 0 EDADRP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430613046 305059030 /nfs/dbraw/zinc/05/90/30/305059030.db2.gz UHUQTWSMXQAHKC-ZBFHGGJFSA-N 2 0 346.475 1.363 20 0 EDADRP O=C([C@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1)N1CC[NH2+]CC1 ZINC000430624427 305059785 /nfs/dbraw/zinc/05/97/85/305059785.db2.gz ILCUCNWTRXQVGR-HNNXBMFYSA-N 2 0 335.423 1.348 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(C[NH3+])CC1 ZINC000430633553 305060402 /nfs/dbraw/zinc/06/04/02/305060402.db2.gz CAHNOPKTHHNEIH-UKRRQHHQSA-N 2 0 333.432 1.002 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]3CCCC[NH2+]3)c2)CC1 ZINC000430706156 305063055 /nfs/dbraw/zinc/06/30/55/305063055.db2.gz UGNRDOCEJHQTMW-KRWDZBQOSA-N 2 0 344.459 1.465 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)COC2C[NH2+]C2)C1 ZINC000430751681 305063956 /nfs/dbraw/zinc/06/39/56/305063956.db2.gz YRODTKYEHWWEKW-OAHLLOKOSA-N 2 0 331.460 1.523 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)COC1C[NH2+]C1 ZINC000430841859 305065723 /nfs/dbraw/zinc/06/57/23/305065723.db2.gz SFCQESROWAZBOV-UHFFFAOYSA-N 2 0 325.478 1.407 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H]([NH3+])c1ccccc1 ZINC000430894252 305067219 /nfs/dbraw/zinc/06/72/19/305067219.db2.gz LYNUEJUOOMYOOW-UAGQMJEPSA-N 2 0 346.475 1.026 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)CC1 ZINC000430915850 305067724 /nfs/dbraw/zinc/06/77/24/305067724.db2.gz FMWMQRACAQXOHF-CHWSQXEVSA-N 2 0 333.432 1.844 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917270 305067879 /nfs/dbraw/zinc/06/78/79/305067879.db2.gz YGENKYLLEIGTLG-ROUUACIJSA-N 2 0 349.475 1.191 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000430931036 305068897 /nfs/dbraw/zinc/06/88/97/305068897.db2.gz CCLPUUSIZKFUOP-AWEZNQCLSA-N 2 0 332.448 1.462 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]C1 ZINC000431059693 305074035 /nfs/dbraw/zinc/07/40/35/305074035.db2.gz CXDMQGLDCRSHFR-XKGZKEIXSA-N 2 0 345.487 1.954 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)CCO1 ZINC000431062738 305074081 /nfs/dbraw/zinc/07/40/81/305074081.db2.gz SWESZUHSOZDVCB-KBAYOESNSA-N 2 0 337.508 1.996 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccccc2O[C@@H]2CCOC2)CC1 ZINC000433130109 305101245 /nfs/dbraw/zinc/10/12/45/305101245.db2.gz QPRFPDNGGUTBEQ-MRXNPFEDSA-N 2 0 347.459 1.996 20 0 EDADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1cccc(F)c1 ZINC000433149459 305101737 /nfs/dbraw/zinc/10/17/37/305101737.db2.gz DGVNQDAALDAWTL-AWEZNQCLSA-N 2 0 337.439 1.913 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2nc3ccccc3[nH]2)CC1 ZINC000433149132 305101748 /nfs/dbraw/zinc/10/17/48/305101748.db2.gz CSTXWTLWUHOZIA-UHFFFAOYSA-N 2 0 329.448 1.425 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434522045 305124095 /nfs/dbraw/zinc/12/40/95/305124095.db2.gz FHXSBHWHIMQMJN-ZWKOTPCHSA-N 2 0 337.508 1.913 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@H](C)[C@H]3C)cc2)CC1 ZINC000434697874 305128016 /nfs/dbraw/zinc/12/80/16/305128016.db2.gz BMMFPGADVVSOFA-HZPDHXFCSA-N 2 0 330.476 1.651 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000435385842 305139544 /nfs/dbraw/zinc/13/95/44/305139544.db2.gz RSRZCTNXTOLKRO-SFHVURJKSA-N 2 0 332.492 1.378 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)cn1 ZINC000436243392 305154793 /nfs/dbraw/zinc/15/47/93/305154793.db2.gz HUUNMVZECLPNJV-UHFFFAOYSA-N 2 0 342.443 1.671 20 0 EDADRP CN1CCC(CNC(=O)[C@@]23CCC[C@@H]2C[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000436308231 305155784 /nfs/dbraw/zinc/15/57/84/305155784.db2.gz TWGWZGQIHMUDFI-YLJYHZDGSA-N 2 0 348.535 1.443 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000436508192 305159097 /nfs/dbraw/zinc/15/90/97/305159097.db2.gz CIMATKCZLPMZKD-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)[NH+](CC)CC ZINC000437957730 305179523 /nfs/dbraw/zinc/17/95/23/305179523.db2.gz SLIMTBSKXSDBIE-WCXIOVBPSA-N 2 0 325.497 1.817 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@H](C(C)C)C2)C1 ZINC000446719819 305269857 /nfs/dbraw/zinc/26/98/57/305269857.db2.gz JXGDSOTVHFHCQO-IRXDYDNUSA-N 2 0 325.497 1.437 20 0 EDADRP Cc1ccc(NC(=O)CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)nc1 ZINC000447312355 305277898 /nfs/dbraw/zinc/27/78/98/305277898.db2.gz LWJUPCLYHNKVCG-UHFFFAOYSA-N 2 0 347.507 1.676 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccnn1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000447944015 305289503 /nfs/dbraw/zinc/28/95/03/305289503.db2.gz QMFFKCPOMDJBKY-KRWDZBQOSA-N 2 0 327.476 1.845 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCSC1 ZINC000448250022 305294345 /nfs/dbraw/zinc/29/43/45/305294345.db2.gz RGMHTVXWUBJJDQ-HOTGVXAUSA-N 2 0 342.553 1.797 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccncc2F)CC1 ZINC000449172458 305308769 /nfs/dbraw/zinc/30/87/69/305308769.db2.gz CRBXKOOJBQKXSR-UHFFFAOYSA-N 2 0 336.455 1.937 20 0 EDADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@H]1[NH2+]CCC[NH+](C)C ZINC000495621976 305640291 /nfs/dbraw/zinc/64/02/91/305640291.db2.gz WEXFTIWGWQVXGT-SOUVJXGZSA-N 2 0 329.485 1.846 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000419698467 447356567 /nfs/dbraw/zinc/35/65/67/447356567.db2.gz SVLDDNVSJNWWOW-CQSZACIVSA-N 2 0 346.475 1.313 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000518496556 305762028 /nfs/dbraw/zinc/76/20/28/305762028.db2.gz PONFHOCNIMYRSP-WMLDXEAASA-N 2 0 331.464 1.343 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000419705525 447361559 /nfs/dbraw/zinc/36/15/59/447361559.db2.gz ZWHPGBWCUPQLNS-HOTGVXAUSA-N 2 0 340.512 1.247 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000414937088 447364359 /nfs/dbraw/zinc/36/43/59/447364359.db2.gz HKYIUGXGGZEEHG-RHSMWYFYSA-N 2 0 346.475 1.676 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000532459873 305984625 /nfs/dbraw/zinc/98/46/25/305984625.db2.gz VOUPSEMXRFVECE-WLYUNCDWSA-N 2 0 337.430 1.838 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000538650247 306031248 /nfs/dbraw/zinc/03/12/48/306031248.db2.gz PKSZVMZVWGXPBA-SFHVURJKSA-N 2 0 333.476 1.593 20 0 EDADRP CN(CCC(=O)NCCCC[N@@H+]1CCC[C@H]1CO)c1cc[nH+]cc1 ZINC000543714158 306067521 /nfs/dbraw/zinc/06/75/21/306067521.db2.gz KRUVINSSZKYJBI-KRWDZBQOSA-N 2 0 334.464 1.261 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000547296874 306097768 /nfs/dbraw/zinc/09/77/68/306097768.db2.gz BWCIDORHDKDMSK-MJGOQNOKSA-N 2 0 346.475 1.189 20 0 EDADRP CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547649333 306106297 /nfs/dbraw/zinc/10/62/97/306106297.db2.gz MCZYIIXJAHMQQB-QRFRQXIXSA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)CCCCC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000552124791 306175561 /nfs/dbraw/zinc/17/55/61/306175561.db2.gz NUCXKKBONSORBG-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CCO1 ZINC000556952388 306221941 /nfs/dbraw/zinc/22/19/41/306221941.db2.gz RTQMHTKJNWTPTB-GOSISDBHSA-N 2 0 346.475 1.906 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)N3CC[C@H]([NH3+])C3)CCCCC2)CCO1 ZINC000557162205 306225188 /nfs/dbraw/zinc/22/51/88/306225188.db2.gz HPNQXGGXCCPFCQ-HNNXBMFYSA-N 2 0 338.496 1.543 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422146693 447372651 /nfs/dbraw/zinc/37/26/51/447372651.db2.gz KXPFOVGXAOPKLX-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000414968322 447378926 /nfs/dbraw/zinc/37/89/26/447378926.db2.gz FEFNYIDKMAHXDI-CQSZACIVSA-N 2 0 348.491 1.827 20 0 EDADRP C[NH+](C)Cc1cc(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)ccc1F ZINC000415108820 447389178 /nfs/dbraw/zinc/38/91/78/447389178.db2.gz PEDHZPLNEWULBT-OAHLLOKOSA-N 3 0 336.455 1.174 20 0 EDADRP CCN(CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408462 441168866 /nfs/dbraw/zinc/16/88/66/441168866.db2.gz PFBMCVNUOOHGQQ-QGZVFWFLSA-N 2 0 337.464 1.575 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccc2)nc1 ZINC000103213347 441178348 /nfs/dbraw/zinc/17/83/48/441178348.db2.gz BIAVVJNWSDWIOV-UHFFFAOYSA-N 2 0 341.459 1.709 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000105082573 441231244 /nfs/dbraw/zinc/23/12/44/441231244.db2.gz IJLLINPOZHZZRM-SFHVURJKSA-N 2 0 332.492 1.800 20 0 EDADRP COCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000081156154 441236417 /nfs/dbraw/zinc/23/64/17/441236417.db2.gz NVNWFCVLCIYSLV-UHFFFAOYSA-N 2 0 333.476 1.593 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000047683584 441219521 /nfs/dbraw/zinc/21/95/21/441219521.db2.gz GAJOTRXFYOIWAC-KRWDZBQOSA-N 2 0 342.528 1.761 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CC[N@@H+](C)C3)CC2)c1 ZINC000081281945 441248182 /nfs/dbraw/zinc/24/81/82/441248182.db2.gz ZRQXKZARDBVMBW-SFHVURJKSA-N 2 0 344.503 1.575 20 0 EDADRP COC1CC[NH+]([C@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073648314 441338718 /nfs/dbraw/zinc/33/87/18/441338718.db2.gz VTNGQXPAEUPNPF-AEFFLSMTSA-N 2 0 345.487 1.876 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CCOCC1 ZINC000073236883 441303941 /nfs/dbraw/zinc/30/39/41/441303941.db2.gz DMSOECIVVPQUIY-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000106521461 441348946 /nfs/dbraw/zinc/34/89/46/441348946.db2.gz IKHYGBSUJZEWJJ-MRXNPFEDSA-N 2 0 347.507 1.183 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541121 441461276 /nfs/dbraw/zinc/46/12/76/441461276.db2.gz BIASYLBSYWYETI-RTBURBONSA-N 2 0 344.503 1.943 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000088728186 441518209 /nfs/dbraw/zinc/51/82/09/441518209.db2.gz GFTROZQMAZZLRM-UHFFFAOYSA-N 3 0 346.519 1.375 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000458658938 447441193 /nfs/dbraw/zinc/44/11/93/447441193.db2.gz ONGVXVILRXWGAY-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C(C)C ZINC000067581645 441654014 /nfs/dbraw/zinc/65/40/14/441654014.db2.gz NHVXKAGWCVDGFI-QGZVFWFLSA-N 2 0 342.528 1.497 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCCc1nccn1Cc1ccccc1 ZINC000139504784 441818806 /nfs/dbraw/zinc/81/88/06/441818806.db2.gz PXSOEOAFAZEXJX-QGZVFWFLSA-N 2 0 341.459 1.867 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2CCN(c3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000121861029 441796772 /nfs/dbraw/zinc/79/67/72/441796772.db2.gz DGMDDRLISVDKHQ-GDBMZVCRSA-N 2 0 343.475 1.975 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[NH+]1CCCCCC1 ZINC000173642400 441812316 /nfs/dbraw/zinc/81/23/16/441812316.db2.gz LITNZQZAHRVPGT-KRWDZBQOSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000077775215 441857799 /nfs/dbraw/zinc/85/77/99/441857799.db2.gz ZSQBKVVPJWGHED-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc(F)c1F ZINC000077827643 441872024 /nfs/dbraw/zinc/87/20/24/441872024.db2.gz PJGVCOMIPDNCCA-UHFFFAOYSA-N 2 0 342.434 1.642 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077775243 441857076 /nfs/dbraw/zinc/85/70/76/441857076.db2.gz ADDVVJVLOKSZFD-INIZCTEOSA-N 2 0 340.512 1.254 20 0 EDADRP OC[C@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ncn1 ZINC000150895676 441970264 /nfs/dbraw/zinc/97/02/64/441970264.db2.gz DERSABGRBZTXQV-DLBZAZTESA-N 2 0 345.491 1.892 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000151113156 442009231 /nfs/dbraw/zinc/00/92/31/442009231.db2.gz ITMQJOJEHJUHDN-KRWDZBQOSA-N 2 0 348.491 1.387 20 0 EDADRP CC[C@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000120124733 442012335 /nfs/dbraw/zinc/01/23/35/442012335.db2.gz VCUDRSPNAYBXNL-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000175230652 442023661 /nfs/dbraw/zinc/02/36/61/442023661.db2.gz XMGCHXNFXLZVEX-IYBDPMFKSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)[NH+](C)CC(=O)NC1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000161822658 442035823 /nfs/dbraw/zinc/03/58/23/442035823.db2.gz UYLJTDRPPALWOL-UHFFFAOYSA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC1=CCCOC1 ZINC000120421793 442068899 /nfs/dbraw/zinc/06/88/99/442068899.db2.gz QCZJESYASJFDIR-SFHVURJKSA-N 2 0 331.460 1.212 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000151791071 442120404 /nfs/dbraw/zinc/12/04/04/442120404.db2.gz XFKGLNKONOVTKR-QGZVFWFLSA-N 3 0 349.519 1.982 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000120860763 442143119 /nfs/dbraw/zinc/14/31/19/442143119.db2.gz NTOXHNAIQNIBHN-HUUCEWRRSA-N 2 0 336.484 1.639 20 0 EDADRP CSCC[C@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000126394180 442107571 /nfs/dbraw/zinc/10/75/71/442107571.db2.gz XZAKPGSTGJXKOI-HOTGVXAUSA-N 2 0 345.553 1.533 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000176087607 442174189 /nfs/dbraw/zinc/17/41/89/442174189.db2.gz MBNQLSFOYVXSDF-HNNXBMFYSA-N 2 0 332.448 1.063 20 0 EDADRP C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000152286465 442192976 /nfs/dbraw/zinc/19/29/76/442192976.db2.gz LQZKQMJWOSNIRR-UXLLHSPISA-N 2 0 325.497 1.578 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000167395962 442221135 /nfs/dbraw/zinc/22/11/35/442221135.db2.gz ILARYKVOPFWEBT-LPHOPBHVSA-N 2 0 343.471 1.272 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N(C)Cc1nccn1Cc1ccccc1 ZINC000168718562 442224797 /nfs/dbraw/zinc/22/47/97/442224797.db2.gz PJBURYBIAFLLGX-OAHLLOKOSA-N 2 0 332.473 1.970 20 0 EDADRP Cc1nccn1C[C@@H](C)CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000129648563 442326404 /nfs/dbraw/zinc/32/64/04/442326404.db2.gz GSXQJOQDGBICLT-GOEBONIOSA-N 2 0 342.447 1.801 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000130279836 442342690 /nfs/dbraw/zinc/34/26/90/442342690.db2.gz ZNBBMMBQXPYYMR-OAHLLOKOSA-N 2 0 346.475 1.696 20 0 EDADRP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129244042 442307694 /nfs/dbraw/zinc/30/76/94/442307694.db2.gz DTMCUBLHLMFPIW-KZNAEPCWSA-N 2 0 337.508 1.678 20 0 EDADRP O=C(NCc1cccc(Cn2ccnc2)c1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171900528 442388740 /nfs/dbraw/zinc/38/87/40/442388740.db2.gz OFKLWSJXGFZWKE-GOSISDBHSA-N 2 0 339.443 1.921 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCCC[NH+](C)C)cc2)CC1 ZINC000172124558 442411696 /nfs/dbraw/zinc/41/16/96/442411696.db2.gz MEDVXSCJEVXEOB-UHFFFAOYSA-N 2 0 332.492 1.899 20 0 EDADRP C[C@H](O)C1CC[NH+](CCOCC[NH+]2CCC([C@H](C)O)CC2)CC1 ZINC000178700241 442458601 /nfs/dbraw/zinc/45/86/01/442458601.db2.gz YAJCXBRLKLWTPP-HOTGVXAUSA-N 2 0 328.497 1.189 20 0 EDADRP c1ncn(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2)n1 ZINC000134124077 442451691 /nfs/dbraw/zinc/45/16/91/442451691.db2.gz BOHLYDHRSQIOEG-UHFFFAOYSA-N 2 0 341.459 1.812 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@](C)(C(N)=O)c2ccccc2)CC1 ZINC000191584921 442470878 /nfs/dbraw/zinc/47/08/78/442470878.db2.gz UFUYXLKYFHFSQE-LJQANCHMSA-N 2 0 332.492 1.393 20 0 EDADRP OCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)CC1CC[NH2+]CC1 ZINC000178981258 442544056 /nfs/dbraw/zinc/54/40/56/442544056.db2.gz ZPVKXHRMJKSTPY-UHFFFAOYSA-N 2 0 328.460 1.725 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000157138570 442553431 /nfs/dbraw/zinc/55/34/31/442553431.db2.gz DFLZSQJHDUUNTD-QGZVFWFLSA-N 2 0 325.497 1.770 20 0 EDADRP COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000179153761 442584764 /nfs/dbraw/zinc/58/47/64/442584764.db2.gz XYKBDIRWGPOCJK-OAHLLOKOSA-N 2 0 325.453 1.003 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2cc(C)no2)[C@H](C)C1 ZINC000187012477 442645059 /nfs/dbraw/zinc/64/50/59/442645059.db2.gz CDMSTFPIYOCQLH-HIFRSBDPSA-N 2 0 338.452 1.648 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192475350 442651521 /nfs/dbraw/zinc/65/15/21/442651521.db2.gz HOTIKJCLXRVUSW-AWEZNQCLSA-N 2 0 348.516 1.716 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CCOC)C1 ZINC000173176350 442618093 /nfs/dbraw/zinc/61/80/93/442618093.db2.gz ALYGOZZBCJRJQR-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[N@H+]2CCC[C@H](C)C2)CC[NH+]1CC(C)(C)O ZINC000187398523 442674234 /nfs/dbraw/zinc/67/42/34/442674234.db2.gz PDUPPLUWXNWJSQ-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)C2CC[NH+](C3CC3)CC2)ccn1 ZINC000192792328 442686785 /nfs/dbraw/zinc/68/67/85/442686785.db2.gz SNGLQPZOJGAATE-UHFFFAOYSA-N 2 0 346.475 1.513 20 0 EDADRP CCCCCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000180944805 442670880 /nfs/dbraw/zinc/67/08/80/442670880.db2.gz IQICVFQTEQXMII-INIZCTEOSA-N 2 0 326.529 1.639 20 0 EDADRP COc1ccccc1CCCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000182565212 442788350 /nfs/dbraw/zinc/78/83/50/442788350.db2.gz QPQSTIJEKXGFFK-GOSISDBHSA-N 2 0 345.487 1.866 20 0 EDADRP C[C@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000267948613 442796195 /nfs/dbraw/zinc/79/61/95/442796195.db2.gz FUNPWEMPJKICBA-GOSISDBHSA-N 2 0 332.448 1.279 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc(F)cc1 ZINC000188721328 442796801 /nfs/dbraw/zinc/79/68/01/442796801.db2.gz KMJFQYZJXWHHEG-OAHLLOKOSA-N 2 0 331.395 1.227 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CCC[C@@H](C)C1)[C@H](C)N1CCOCC1 ZINC000246427393 442780417 /nfs/dbraw/zinc/78/04/17/442780417.db2.gz MJROLWRCDTYJFK-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N[C@H](C)CN2CCOCC2)C1 ZINC000246427909 442780464 /nfs/dbraw/zinc/78/04/64/442780464.db2.gz MNSNIUHYXYSZAD-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[N@@H+]1Cc1ccccc1 ZINC000188783133 442812163 /nfs/dbraw/zinc/81/21/63/442812163.db2.gz HATYWSPOCDPSQT-ZFWWWQNUSA-N 2 0 339.443 1.448 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000182743667 442817857 /nfs/dbraw/zinc/81/78/57/442817857.db2.gz XXJASTYGCUZAFJ-UHFFFAOYSA-N 2 0 326.485 1.796 20 0 EDADRP OCC1(C[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000183154649 442890809 /nfs/dbraw/zinc/89/08/09/442890809.db2.gz KREKNQSFSPUVIG-OTWHNJEPSA-N 2 0 330.472 1.886 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]2Cn2ccnc2)ccn1 ZINC000183225545 442907671 /nfs/dbraw/zinc/90/76/71/442907671.db2.gz KEUXJFBTNLKZKY-MRXNPFEDSA-N 2 0 343.431 1.523 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000268376486 442967573 /nfs/dbraw/zinc/96/75/73/442967573.db2.gz SYMRMLSDICJVHI-LPHOPBHVSA-N 2 0 344.503 1.927 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000249585760 442991436 /nfs/dbraw/zinc/99/14/36/442991436.db2.gz SXSBGXFAIDQHQB-QFBILLFUSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@H]1CCC[C@H](CO)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184605639 443048550 /nfs/dbraw/zinc/04/85/50/443048550.db2.gz UBISBUVKBVUFTN-JQHSSLGASA-N 2 0 333.476 1.641 20 0 EDADRP COC[C@H]1C[N@H+](CCCC[NH+]2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251888267 443019590 /nfs/dbraw/zinc/01/95/90/443019590.db2.gz QCOFOXJYXGNCKA-FZDBZEDMSA-N 2 0 344.496 1.238 20 0 EDADRP CCN(CCO)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000184543392 443036974 /nfs/dbraw/zinc/03/69/74/443036974.db2.gz GHEQTWKGFKWZED-UHFFFAOYSA-N 2 0 348.535 1.621 20 0 EDADRP CN(CCC[NH2+]Cc1c(Br)cnn1C)CC[NH+](C)C ZINC000623088074 450398753 /nfs/dbraw/zinc/39/87/53/450398753.db2.gz VHQWIEBJGMBPIU-UHFFFAOYSA-N 2 0 332.290 1.156 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268904171 443142142 /nfs/dbraw/zinc/14/21/42/443142142.db2.gz PLZZGANXHZKLAD-KBXCAEBGSA-N 2 0 332.448 1.745 20 0 EDADRP Cn1cc(-c2cc(CN3CCC([N@H+](C)CCCO)CC3)on2)cn1 ZINC000185005438 443116414 /nfs/dbraw/zinc/11/64/14/443116414.db2.gz KXNOWIKSUCYOGV-UHFFFAOYSA-N 2 0 333.436 1.354 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237217158 443164586 /nfs/dbraw/zinc/16/45/86/443164586.db2.gz VMOBRJRVTJKURB-LJQANCHMSA-N 2 0 344.503 1.799 20 0 EDADRP C[N@@H+]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC1 ZINC000261719722 443165661 /nfs/dbraw/zinc/16/56/61/443165661.db2.gz GTVFEYGAEAWIFF-HNNXBMFYSA-N 2 0 340.265 1.787 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@@H]1C[NH3+] ZINC000237444659 443171777 /nfs/dbraw/zinc/17/17/77/443171777.db2.gz WMFCZSCHKFWVLQ-VQIMIIECSA-N 2 0 344.503 1.633 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(N(C)CCOC)nc2)CC1 ZINC000190764521 443179886 /nfs/dbraw/zinc/17/98/86/443179886.db2.gz CWFVLZSFSMSBAD-KRWDZBQOSA-N 2 0 349.523 1.280 20 0 EDADRP Cn1nnc2ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc21 ZINC000185155252 443149543 /nfs/dbraw/zinc/14/95/43/443149543.db2.gz VYLZFAAGNHFGMB-UHFFFAOYSA-N 2 0 346.479 1.314 20 0 EDADRP Cc1nc(C)c(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000266778405 443238951 /nfs/dbraw/zinc/23/89/51/443238951.db2.gz ABALPWPIYYXDAF-UHFFFAOYSA-N 2 0 343.431 1.629 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000262656740 443206412 /nfs/dbraw/zinc/20/64/12/443206412.db2.gz VAQNBPWWGMCBMU-KURKYZTESA-N 2 0 338.540 1.402 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262734487 443208914 /nfs/dbraw/zinc/20/89/14/443208914.db2.gz CELYPPPZYSOQCQ-ZNMIVQPWSA-N 2 0 327.538 1.954 20 0 EDADRP CC(C)N(C)c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)cn1 ZINC000190952763 443213995 /nfs/dbraw/zinc/21/39/95/443213995.db2.gz GGNSSKXYAMWIDL-QGZVFWFLSA-N 2 0 333.524 1.899 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350935206 319080268 /nfs/dbraw/zinc/08/02/68/319080268.db2.gz VVFDELZCCDTISZ-HNNXBMFYSA-N 2 0 349.479 1.712 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000397522919 319135302 /nfs/dbraw/zinc/13/53/02/319135302.db2.gz VMFMNWPQUWQNLH-HUUCEWRRSA-N 2 0 341.496 1.726 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000269257634 443254148 /nfs/dbraw/zinc/25/41/48/443254148.db2.gz UDNLIGQBFWQLPW-IBGZPJMESA-N 2 0 345.487 1.783 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC000412680178 319239489 /nfs/dbraw/zinc/23/94/89/319239489.db2.gz YOGOVESIDBPANB-GUDVDZBRSA-N 2 0 345.487 1.734 20 0 EDADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cnn(C)c1 ZINC000414202024 319319164 /nfs/dbraw/zinc/31/91/64/319319164.db2.gz TXIIGSNQPANAJN-KRWDZBQOSA-N 2 0 335.496 1.257 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414264666 319323590 /nfs/dbraw/zinc/32/35/90/319323590.db2.gz QPPDCIUBDFIRRH-UHFFFAOYSA-N 2 0 327.375 1.735 20 0 EDADRP Cc1ncc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000414549376 319330116 /nfs/dbraw/zinc/33/01/16/319330116.db2.gz LDBRBARFMULGEM-UHFFFAOYSA-N 2 0 326.444 1.902 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCC[NH2+]C3)c2)C1 ZINC000415087890 319347028 /nfs/dbraw/zinc/34/70/28/319347028.db2.gz LFBWXEUKBMFZGU-QZTJIDSGSA-N 2 0 330.476 1.226 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)cc1 ZINC000415182243 319347556 /nfs/dbraw/zinc/34/75/56/319347556.db2.gz YNPJXAXUUTVYAN-CQSZACIVSA-N 2 0 346.475 1.883 20 0 EDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000415236394 319355310 /nfs/dbraw/zinc/35/53/10/319355310.db2.gz FMHQCLBKQJLDFM-GOSISDBHSA-N 2 0 349.479 1.732 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415958768 319385144 /nfs/dbraw/zinc/38/51/44/319385144.db2.gz XNZYGVPCMDECEI-CQSZACIVSA-N 2 0 349.483 1.128 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000185870906 443273126 /nfs/dbraw/zinc/27/31/26/443273126.db2.gz BGTGZORFRWSJHD-KRWDZBQOSA-N 2 0 331.508 1.797 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cn1 ZINC000191330830 443279423 /nfs/dbraw/zinc/27/94/23/443279423.db2.gz BBVSJIAWSROXLU-SFHVURJKSA-N 2 0 331.508 1.750 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000264586326 443335965 /nfs/dbraw/zinc/33/59/65/443335965.db2.gz VIMXCJIMIFDNRG-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP CC(C)(C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418569040 319506170 /nfs/dbraw/zinc/50/61/70/319506170.db2.gz PDPBKWQPMLACDL-BXUZGUMPSA-N 2 0 326.391 1.447 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000418829816 319520576 /nfs/dbraw/zinc/52/05/76/319520576.db2.gz XJDDFUGJZCWIQA-IRXDYDNUSA-N 2 0 348.491 1.348 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419125796 319558820 /nfs/dbraw/zinc/55/88/20/319558820.db2.gz USLJKCBIINSMOW-CABCVRRESA-N 2 0 326.485 1.001 20 0 EDADRP CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000419134499 319560773 /nfs/dbraw/zinc/56/07/73/319560773.db2.gz KDMPOOWUJZXNIM-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000267182880 443369859 /nfs/dbraw/zinc/36/98/59/443369859.db2.gz QCMUTKNDQMJSTK-OAHLLOKOSA-N 2 0 345.447 1.159 20 0 EDADRP Cc1nccn1C[C@H]1CCCN1C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278986315 443482535 /nfs/dbraw/zinc/48/25/35/443482535.db2.gz KMXCGMPLUWRQPV-UONOGXRCSA-N 2 0 328.420 1.296 20 0 EDADRP Cc1nccn1C[C@@H]1CCCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278986314 443482639 /nfs/dbraw/zinc/48/26/39/443482639.db2.gz KMXCGMPLUWRQPV-KGLIPLIRSA-N 2 0 328.420 1.296 20 0 EDADRP NC(=O)[C@H]1CCCN1Cc1cccc(NC(=O)NCc2ncc[nH]2)c1 ZINC000270016105 443457436 /nfs/dbraw/zinc/45/74/36/443457436.db2.gz DBDUEULDPASVPJ-CQSZACIVSA-N 2 0 342.403 1.181 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422731302 319734362 /nfs/dbraw/zinc/73/43/62/319734362.db2.gz GVJLBZAZFIRMNX-DOTOQJQBSA-N 2 0 339.505 1.980 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000422737116 319735459 /nfs/dbraw/zinc/73/54/59/319735459.db2.gz HNCVYKIJQIHCOQ-OAHLLOKOSA-N 3 0 325.497 1.629 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422943403 319739652 /nfs/dbraw/zinc/73/96/52/319739652.db2.gz KGBHNFWJIVUDQH-HNNXBMFYSA-N 2 0 339.505 1.804 20 0 EDADRP CC(C)C(=O)NCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423016065 319746331 /nfs/dbraw/zinc/74/63/31/319746331.db2.gz SGEYZYQYXYRQQP-QFBILLFUSA-N 2 0 331.460 1.994 20 0 EDADRP CCc1nnc(NC(=O)[C@@H](C)[C@H](C)[NH2+]C2CCC([NH3+])CC2)s1 ZINC000423104565 319750446 /nfs/dbraw/zinc/75/04/46/319750446.db2.gz HHDKELFANQTUTM-JYBOHDQNSA-N 2 0 325.482 1.923 20 0 EDADRP C[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)[NH+]1CCc2ccccc2C1 ZINC000272118171 443532009 /nfs/dbraw/zinc/53/20/09/443532009.db2.gz SGHJFHQLHTYAPK-MRXNPFEDSA-N 2 0 342.487 1.994 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000283259784 443580168 /nfs/dbraw/zinc/58/01/68/443580168.db2.gz CDAWZVXXHLKRFN-SFHVURJKSA-N 3 0 343.475 1.822 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](O)C1 ZINC000265151893 443551309 /nfs/dbraw/zinc/55/13/09/443551309.db2.gz ORPPCJSMXZUWGY-CRAIPNDOSA-N 2 0 331.460 1.222 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000272329902 443593558 /nfs/dbraw/zinc/59/35/58/443593558.db2.gz VMOVUNHGALTSRL-MAUKXSAKSA-N 2 0 330.476 1.243 20 0 EDADRP CC(C)[C@@H]1NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000272354533 443601305 /nfs/dbraw/zinc/60/13/05/443601305.db2.gz GAKJWNZLVBTUNF-INIZCTEOSA-N 2 0 345.447 1.170 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000440272589 320068112 /nfs/dbraw/zinc/06/81/12/320068112.db2.gz UKNPRQYZQRNPCQ-SFHVURJKSA-N 2 0 335.492 1.717 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)c2)CC1 ZINC000444270850 320123817 /nfs/dbraw/zinc/12/38/17/320123817.db2.gz PYEAQACYRMEOBU-PKOBYXMFSA-N 2 0 328.460 1.372 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)NC[C@@H]3C[NH2+]CCCO3)ccc21 ZINC000449705559 320200603 /nfs/dbraw/zinc/20/06/03/320200603.db2.gz KUOXLVPRKRDASG-INIZCTEOSA-N 2 0 330.432 1.098 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)c2)CC1 ZINC000449722367 320201674 /nfs/dbraw/zinc/20/16/74/320201674.db2.gz KRUSNKPZWCZJES-CRAIPNDOSA-N 2 0 330.476 1.291 20 0 EDADRP CCN1CCO[C@@H](C(=O)NCc2c(Cl)cccc2-n2ccnc2)C1 ZINC000452207996 320245524 /nfs/dbraw/zinc/24/55/24/320245524.db2.gz OILVQMOCDORSNW-MRXNPFEDSA-N 2 0 348.834 1.863 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000452389915 320249019 /nfs/dbraw/zinc/24/90/19/320249019.db2.gz NBVXURYSIGSCJN-INIZCTEOSA-N 2 0 349.475 1.204 20 0 EDADRP C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000457256187 320322729 /nfs/dbraw/zinc/32/27/29/320322729.db2.gz ZAHMVYNCYAWHPZ-OKILXGFUSA-N 2 0 342.528 1.171 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000457471036 320327167 /nfs/dbraw/zinc/32/71/67/320327167.db2.gz WBZUKWFCOPHUGY-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)Cc1ccccc1 ZINC000457491842 320328015 /nfs/dbraw/zinc/32/80/15/320328015.db2.gz VZVJKKVIQSZAGN-OKZBNKHCSA-N 2 0 330.476 1.505 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457724545 320333470 /nfs/dbraw/zinc/33/34/70/320333470.db2.gz YTUCKYIFEXHHDK-ZACQAIPSSA-N 2 0 340.512 1.253 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H]2CC[NH+](C)[C@@H]2C1)CCC(F)(F)F ZINC000458708746 320338856 /nfs/dbraw/zinc/33/88/56/320338856.db2.gz HXAJZLIDDHMLAR-QWHCGFSZSA-N 2 0 336.402 1.606 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000519358799 320465299 /nfs/dbraw/zinc/46/52/99/320465299.db2.gz BFWBPYRINSDZOT-SJLPKXTDSA-N 2 0 346.475 1.965 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000298264694 443733201 /nfs/dbraw/zinc/73/32/01/443733201.db2.gz BWWNRYBXSKVKNL-UHFFFAOYSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000288173819 443793238 /nfs/dbraw/zinc/79/32/38/443793238.db2.gz PSAYAWYWUHWXRS-AYBZRNKSSA-N 2 0 348.491 1.261 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000529289238 320571933 /nfs/dbraw/zinc/57/19/33/320571933.db2.gz NRQAOTDSCOUHCW-KRWDZBQOSA-N 2 0 343.475 1.630 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@]2(CC[NH+](C)C2)C1)Cc1ccc(F)cc1 ZINC000292819848 443850600 /nfs/dbraw/zinc/85/06/00/443850600.db2.gz APZLRYLRRBOQLQ-LJQANCHMSA-N 2 0 348.466 1.995 20 0 EDADRP CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000277063555 443899510 /nfs/dbraw/zinc/89/95/10/443899510.db2.gz WGRMGYKJVQOHIH-RCCFBDPRSA-N 2 0 333.476 1.953 20 0 EDADRP CC(C)NC(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285357782 443954818 /nfs/dbraw/zinc/95/48/18/443954818.db2.gz DXYGXULYGLUTPF-UHFFFAOYSA-N 2 0 346.519 1.651 20 0 EDADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000277305739 443958716 /nfs/dbraw/zinc/95/87/16/443958716.db2.gz ULALJJSNMFPNQV-ZWKOTPCHSA-N 2 0 336.476 1.989 20 0 EDADRP CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554574179 320954423 /nfs/dbraw/zinc/95/44/23/320954423.db2.gz KBCMUKAEUPDEJQ-ZBFHGGJFSA-N 2 0 329.510 1.168 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000557139995 321000345 /nfs/dbraw/zinc/00/03/45/321000345.db2.gz XFTXRXFNDXNKON-CVEARBPZSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000561222514 321037356 /nfs/dbraw/zinc/03/73/56/321037356.db2.gz NUKYGLWDCGHBMG-INIZCTEOSA-N 2 0 332.492 1.156 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000562803796 321077163 /nfs/dbraw/zinc/07/71/63/321077163.db2.gz BNZGQJDQWLHTCF-QAPCUYQASA-N 2 0 344.503 1.997 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1CCOC ZINC000562817426 321078676 /nfs/dbraw/zinc/07/86/76/321078676.db2.gz QTEFNTDLIYTUMJ-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000299579874 444085030 /nfs/dbraw/zinc/08/50/30/444085030.db2.gz UYPHNBXDIFTKDW-SFHVURJKSA-N 2 0 330.476 1.144 20 0 EDADRP [NH3+]C[C@H]1CCCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000563887926 321114800 /nfs/dbraw/zinc/11/48/00/321114800.db2.gz UAKQWEMEZWKCAB-QGZVFWFLSA-N 2 0 345.487 1.522 20 0 EDADRP CSCc1cc(F)ccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000563953132 321117582 /nfs/dbraw/zinc/11/75/82/321117582.db2.gz ZQTMTFJEROQIPU-QGZVFWFLSA-N 2 0 341.496 1.387 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000564189218 321123589 /nfs/dbraw/zinc/12/35/89/321123589.db2.gz XGEGKYQHMSATMB-QZTJIDSGSA-N 2 0 347.507 1.258 20 0 EDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000564641483 321139741 /nfs/dbraw/zinc/13/97/41/321139741.db2.gz WDPZOPSIOVIJOS-HOCLYGCPSA-N 2 0 343.537 1.843 20 0 EDADRP C[C@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CC(C)C1 ZINC000564665261 321140297 /nfs/dbraw/zinc/14/02/97/321140297.db2.gz HMDDPTKYGKKIKC-FGTMMUONSA-N 2 0 336.524 1.344 20 0 EDADRP CC(C)c1ccccc1OCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564856753 321151626 /nfs/dbraw/zinc/15/16/26/321151626.db2.gz OAUYQSLYPIBONF-QGZVFWFLSA-N 2 0 335.492 1.387 20 0 EDADRP O=C(N[C@@H]1C[C@H]1C1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000564957539 321160691 /nfs/dbraw/zinc/16/06/91/321160691.db2.gz URYJXHDBMDFWDU-GBESFXJTSA-N 2 0 342.487 1.798 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCN(c3ccnc(C)n3)CC2)CC1 ZINC000565451309 321186835 /nfs/dbraw/zinc/18/68/35/321186835.db2.gz XFEVDRONPMVMEP-UHFFFAOYSA-N 2 0 346.479 1.349 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000565816413 321202200 /nfs/dbraw/zinc/20/22/00/321202200.db2.gz HMTBTFMJIQDHLC-FXAWDEMLSA-N 2 0 339.487 1.986 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566089383 321214150 /nfs/dbraw/zinc/21/41/50/321214150.db2.gz MDPLJKGJXFGIMF-MISYRCLQSA-N 2 0 346.519 1.332 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C2CCC([NH+](C)C)CC2)cc1 ZINC000566120316 321218049 /nfs/dbraw/zinc/21/80/49/321218049.db2.gz JYMJVVLZAUICAY-VMWRSERWSA-N 2 0 349.475 1.847 20 0 EDADRP [NH3+]CC1(CC(=O)N2CCC(c3cc(C4CC[NH2+]CC4)n[nH]3)CC2)CC1 ZINC000566796196 321233905 /nfs/dbraw/zinc/23/39/05/321233905.db2.gz NWAGGXWVOYGRRF-UHFFFAOYSA-N 2 0 345.491 1.712 20 0 EDADRP CC[C@@H](CSc1ccccc1)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000567688469 321252617 /nfs/dbraw/zinc/25/26/17/321252617.db2.gz QRFGOWQPQTUSMR-DLBZAZTESA-N 2 0 337.533 1.755 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000567806490 321258991 /nfs/dbraw/zinc/25/89/91/321258991.db2.gz OHMCTAPKTSSKFX-QAPCUYQASA-N 2 0 346.475 1.249 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000570097843 321337757 /nfs/dbraw/zinc/33/77/57/321337757.db2.gz LURRHFFDZYHAJW-GDBMZVCRSA-N 2 0 346.475 1.774 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000289309591 444103799 /nfs/dbraw/zinc/10/37/99/444103799.db2.gz DWRJXXMBVGHGGV-FUHWJXTLSA-N 2 0 340.471 1.962 20 0 EDADRP CC(C)c1ccc(O[C@@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000570627028 321351215 /nfs/dbraw/zinc/35/12/15/321351215.db2.gz WMGCXAFNJLPEEF-HKUYNNGSSA-N 2 0 349.519 1.775 20 0 EDADRP COc1c(N)ncnc1N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000570817016 321359744 /nfs/dbraw/zinc/35/97/44/321359744.db2.gz ZXNFQCWEJNINCJ-CHWSQXEVSA-N 2 0 335.452 1.393 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289364941 444118905 /nfs/dbraw/zinc/11/89/05/444118905.db2.gz HSRVPCZLLMLYJF-GOSISDBHSA-N 2 0 348.535 1.849 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C1(C)C[NH2+]C1 ZINC000571557677 321392357 /nfs/dbraw/zinc/39/23/57/321392357.db2.gz BFXYYNHYFWFKCM-UHFFFAOYSA-N 2 0 336.524 1.251 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153693 444108506 /nfs/dbraw/zinc/10/85/06/444108506.db2.gz OPRBNUUGZLNWGB-KRWDZBQOSA-N 2 0 348.491 1.031 20 0 EDADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)ncn1 ZINC000574188800 321474658 /nfs/dbraw/zinc/47/46/58/321474658.db2.gz ZQXZNQFPEWDEIV-XLNGHYISSA-N 2 0 333.480 1.350 20 0 EDADRP O=C(C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000574762069 321499965 /nfs/dbraw/zinc/49/99/65/321499965.db2.gz CDYBVZHXWCUMOW-NXHRZFHOSA-N 2 0 333.476 1.277 20 0 EDADRP COCCCN(C(=O)CCN(C)c1cc[nH+]cc1)C1CC[NH+](C)CC1 ZINC000575113551 321515110 /nfs/dbraw/zinc/51/51/10/321515110.db2.gz CGZJYRMXTKGJIQ-UHFFFAOYSA-N 2 0 348.491 1.867 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000289619347 444181725 /nfs/dbraw/zinc/18/17/25/444181725.db2.gz BAQIPFSIAHSUQP-SJORKVTESA-N 2 0 347.459 1.438 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000295927462 444194511 /nfs/dbraw/zinc/19/45/11/444194511.db2.gz FTLKPAMMRKYZRB-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000576577412 321578181 /nfs/dbraw/zinc/57/81/81/321578181.db2.gz KNKRYUHKYFLPLZ-YMAMQOFZSA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000290042183 444234278 /nfs/dbraw/zinc/23/42/78/444234278.db2.gz RBOMZZYEQWLOHA-GOSISDBHSA-N 2 0 334.439 1.943 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082273 444239773 /nfs/dbraw/zinc/23/97/73/444239773.db2.gz VDWTUMHJEIEHFB-ICSRJNTNSA-N 2 0 331.504 1.895 20 0 EDADRP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304292075 444245574 /nfs/dbraw/zinc/24/55/74/444245574.db2.gz CXZUGTXOOPYXRS-FGTMMUONSA-N 2 0 326.481 1.351 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1CCOC ZINC000297649477 444313565 /nfs/dbraw/zinc/31/35/65/444313565.db2.gz VQVBHHCQHMRHNP-MRXNPFEDSA-N 2 0 345.447 1.587 20 0 EDADRP C[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](C)[C@H]2CO)[C@H]1CO ZINC000305737890 444276620 /nfs/dbraw/zinc/27/66/20/444276620.db2.gz QJVVSHPYSRMBIA-FZDBZEDMSA-N 2 0 328.497 1.189 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309766059 444289780 /nfs/dbraw/zinc/28/97/80/444289780.db2.gz ZLYLOYRPRXKBCK-GJZGRUSLSA-N 2 0 325.403 1.997 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)C[NH+]1CCCCC1 ZINC000326104516 444372966 /nfs/dbraw/zinc/37/29/66/444372966.db2.gz FCZNERFTHLYLGX-YYAJDYIMSA-N 2 0 337.508 1.757 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2c(F)cccc2Cl)CC1 ZINC000578980954 321863164 /nfs/dbraw/zinc/86/31/64/321863164.db2.gz AWPVDVYBHDKRFT-WOSRLPQWSA-N 2 0 341.858 1.533 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000331236441 444453767 /nfs/dbraw/zinc/45/37/67/444453767.db2.gz HHDZVFUAPSHGLK-HNNXBMFYSA-N 2 0 343.475 1.853 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])C2)CC1 ZINC000579589426 321951312 /nfs/dbraw/zinc/95/13/12/321951312.db2.gz DEHJTKKFJGUYGS-KURKYZTESA-N 2 0 336.524 1.521 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331207305 444444110 /nfs/dbraw/zinc/44/41/10/444444110.db2.gz UVTDWYBAUVYWAX-HNNXBMFYSA-N 2 0 339.505 1.901 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000331995054 444494375 /nfs/dbraw/zinc/49/43/75/444494375.db2.gz NBHBZZIHJPFUMW-DLBZAZTESA-N 2 0 337.489 1.923 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000580426006 322049095 /nfs/dbraw/zinc/04/90/95/322049095.db2.gz XJANWAOIGLXELC-WBAXXEDZSA-N 2 0 331.460 1.946 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000580540151 322063569 /nfs/dbraw/zinc/06/35/69/322063569.db2.gz LHQMGQXPSMLZIV-WBVHZDCISA-N 2 0 341.459 1.800 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H](C)[NH3+] ZINC000580559585 322067162 /nfs/dbraw/zinc/06/71/62/322067162.db2.gz OOPZVTAYVAJCOP-YOEHRIQHSA-N 2 0 333.480 1.069 20 0 EDADRP COC[C@]1(CN[C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC[NH2+]1 ZINC000580708955 322085299 /nfs/dbraw/zinc/08/52/99/322085299.db2.gz VDAGWBCSZHWONC-QRQLOZEOSA-N 2 0 331.460 1.601 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000580962086 322118617 /nfs/dbraw/zinc/11/86/17/322118617.db2.gz MIRHSPDJYFUPCL-IUODEOHRSA-N 2 0 332.448 1.957 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COc2ccc(F)cc2)CCCO1 ZINC000581186160 322146289 /nfs/dbraw/zinc/14/62/89/322146289.db2.gz GDIDKTPPZHHHDW-DOTOQJQBSA-N 2 0 340.439 1.656 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2C[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000581247196 322154084 /nfs/dbraw/zinc/15/40/84/322154084.db2.gz QJSPKRACVDYSCJ-KBAYOESNSA-N 2 0 337.895 1.784 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)N[C@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000581381414 322171650 /nfs/dbraw/zinc/17/16/50/322171650.db2.gz DGKQUWAMLLSNJZ-HNNXBMFYSA-N 2 0 338.496 1.461 20 0 EDADRP O=C(NCCCCn1ccnc1)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000581993062 322241628 /nfs/dbraw/zinc/24/16/28/322241628.db2.gz BYGHXAADSATSNU-UHFFFAOYSA-N 2 0 349.479 1.208 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC1 ZINC000342225479 444574232 /nfs/dbraw/zinc/57/42/32/444574232.db2.gz UMNFTPAHFBAWSN-UHFFFAOYSA-N 2 0 344.503 1.899 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343791381 444594208 /nfs/dbraw/zinc/59/42/08/444594208.db2.gz OMMLEWZREXZCCN-DJSILETISA-N 2 0 335.492 1.285 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000340966502 444603535 /nfs/dbraw/zinc/60/35/35/444603535.db2.gz NLWWCOLHVRFPBG-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343817648 444608870 /nfs/dbraw/zinc/60/88/70/444608870.db2.gz OHNVXHMRSVPWPL-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP CSCC[C@H]([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(=O)N(C)C ZINC000342300975 444619481 /nfs/dbraw/zinc/61/94/81/444619481.db2.gz CHDGSTOOJQJSAV-INIZCTEOSA-N 2 0 347.488 1.875 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2CCCn3ccnc32)CC[N@@H+]1CC(C)(C)O ZINC000333120364 444640225 /nfs/dbraw/zinc/64/02/25/444640225.db2.gz ZSKNIRZDEGWSPC-GJZGRUSLSA-N 2 0 349.479 1.247 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)C1 ZINC000333823063 444701622 /nfs/dbraw/zinc/70/16/22/444701622.db2.gz HZYMNXCCSPPIPG-BZUAXINKSA-N 2 0 329.510 1.122 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[C@H]2CCCC[NH+]2C)C1 ZINC000341169228 444708171 /nfs/dbraw/zinc/70/81/71/444708171.db2.gz QREYMLLOIXTBLE-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000329765066 444709081 /nfs/dbraw/zinc/70/90/81/444709081.db2.gz WNQCTJIISXYQPO-INIZCTEOSA-N 2 0 327.432 1.876 20 0 EDADRP O=C(N[C@H]1CCCC[NH2+]C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333898249 444712309 /nfs/dbraw/zinc/71/23/09/444712309.db2.gz ZJMIPLSHBYNWKR-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045028 444747139 /nfs/dbraw/zinc/74/71/39/444747139.db2.gz XZPIARMXNASZQN-FGTMMUONSA-N 2 0 340.556 1.695 20 0 EDADRP C[C@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+]3CCC[C@@H](C)C3)ncn2)C1 ZINC000334058787 444765901 /nfs/dbraw/zinc/76/59/01/444765901.db2.gz XJWIDIARENKMIW-OWCLPIDISA-N 2 0 333.480 1.828 20 0 EDADRP CO[C@H]1CCCC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000341316047 444775839 /nfs/dbraw/zinc/77/58/39/444775839.db2.gz OAHREAJGYSLNRY-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)N1CCN(Cc2ccco2)CC1 ZINC000344120042 444792024 /nfs/dbraw/zinc/79/20/24/444792024.db2.gz CMPAEMMMQHJTSG-HZPDHXFCSA-N 2 0 335.448 1.017 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000336875207 444820469 /nfs/dbraw/zinc/82/04/69/444820469.db2.gz CDFKMJWAXXXUIF-IAGOWNOFSA-N 3 0 326.529 1.626 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3CCC[NH2+][C@@H]3C)CCCC2)CC1 ZINC000342715048 444830869 /nfs/dbraw/zinc/83/08/69/444830869.db2.gz UMZYYLGSNYVHLH-NVXWUHKLSA-N 2 0 337.508 1.914 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC1 ZINC000341453998 444840863 /nfs/dbraw/zinc/84/08/63/444840863.db2.gz CKHFKUFCQIWJNO-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H](c2nccn2C)C2CC2)CC1 ZINC000342798359 444871475 /nfs/dbraw/zinc/87/14/75/444871475.db2.gz UZKOIMHJNBGMNF-QGZVFWFLSA-N 2 0 333.480 1.404 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000342711524 444827789 /nfs/dbraw/zinc/82/77/89/444827789.db2.gz MBOLCRXMFQXRQR-KRWDZBQOSA-N 2 0 330.476 1.233 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCC[N@@H+]1C ZINC000336969344 444880306 /nfs/dbraw/zinc/88/03/06/444880306.db2.gz JKRRLYQUAOJSSP-IXDOHACOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344447026 444978543 /nfs/dbraw/zinc/97/85/43/444978543.db2.gz QOBNUVZIJBGMJC-INIZCTEOSA-N 2 0 333.480 1.343 20 0 EDADRP C[C@@H](CCNC(=O)C1(C[NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000344448003 444979963 /nfs/dbraw/zinc/97/99/63/444979963.db2.gz QZKMXDKPBKROON-INIZCTEOSA-N 2 0 333.476 1.769 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CCCS(=O)(=O)C2)C1 ZINC000341891847 445055853 /nfs/dbraw/zinc/05/58/53/445055853.db2.gz DABIYFAEJRHEQY-HOTGVXAUSA-N 2 0 332.510 1.244 20 0 EDADRP O=C(C[NH2+][C@@H](CCCO)c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000341898932 445059783 /nfs/dbraw/zinc/05/97/83/445059783.db2.gz VGDRESBEXVOKGX-IBGZPJMESA-N 2 0 345.487 1.833 20 0 EDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCCN(S(C)(=O)=O)C3)C2)C1 ZINC000339432872 445138698 /nfs/dbraw/zinc/13/86/98/445138698.db2.gz QVDNACNUELEPMN-HOTGVXAUSA-N 2 0 329.510 1.076 20 0 EDADRP CC[NH+](CC)CC(=O)N1C[C@H](C)N(C(=O)C[NH+](CC)CC)C[C@H]1C ZINC000337535853 445125342 /nfs/dbraw/zinc/12/53/42/445125342.db2.gz VVTYGUWDCJUWJM-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP CC[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000339269723 445126863 /nfs/dbraw/zinc/12/68/63/445126863.db2.gz ISACDJKRCXSTSO-HKUYNNGSSA-N 2 0 346.519 1.649 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000342097211 445170618 /nfs/dbraw/zinc/17/06/18/445170618.db2.gz SLJDCEVGMGCZKH-QAPCUYQASA-N 2 0 330.476 1.570 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343378877 445212742 /nfs/dbraw/zinc/21/27/42/445212742.db2.gz JWKOLBPOPYGFNS-RYRKJORJSA-N 2 0 335.496 1.113 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC(C)(C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000345846877 445200708 /nfs/dbraw/zinc/20/07/08/445200708.db2.gz ASAHRSDPVYFXJJ-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346959074 445229022 /nfs/dbraw/zinc/22/90/22/445229022.db2.gz CYLNVILHJQFWNK-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000347666729 445244118 /nfs/dbraw/zinc/24/41/18/445244118.db2.gz JICWQDRPKXKHMK-YVSFHVDLSA-N 2 0 325.497 1.437 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000354553318 445291535 /nfs/dbraw/zinc/29/15/35/445291535.db2.gz VMUIQBMFNZXCSN-IYBDPMFKSA-N 2 0 325.497 1.865 20 0 EDADRP C[C@H]1CN(CCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1CCO ZINC000351835000 445337850 /nfs/dbraw/zinc/33/78/50/445337850.db2.gz NEFLTKZFOPRPOE-IBGZPJMESA-N 2 0 346.519 1.197 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ncncc1Cl ZINC000348631745 445339710 /nfs/dbraw/zinc/33/97/10/445339710.db2.gz HQBPIBMXJJYEGS-CYBMUJFWSA-N 2 0 339.871 1.618 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]3C[NH+](C)C)cc2)CC1 ZINC000362497586 445412064 /nfs/dbraw/zinc/41/20/64/445412064.db2.gz IRHUGSIMTZSINL-IBGZPJMESA-N 2 0 344.503 1.995 20 0 EDADRP CC[C@@H]1CC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000362497564 445412253 /nfs/dbraw/zinc/41/22/53/445412253.db2.gz LZBHNVCYYSBVOY-MSOLQXFVSA-N 2 0 346.475 1.668 20 0 EDADRP COCCO[C@H]1COCC[C@@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000362521989 445422419 /nfs/dbraw/zinc/42/24/19/445422419.db2.gz ADKLNNMLUNRTIB-ROUUACIJSA-N 2 0 346.431 1.486 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1C ZINC000357041923 445390413 /nfs/dbraw/zinc/39/04/13/445390413.db2.gz DMNPCFOLIQNRNY-QGZVFWFLSA-N 2 0 348.491 1.885 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359724413 445394661 /nfs/dbraw/zinc/39/46/61/445394661.db2.gz MDZXXHUGAKZTFA-UHFFFAOYSA-N 2 0 349.479 1.259 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359729231 445396163 /nfs/dbraw/zinc/39/61/63/445396163.db2.gz DVPWKCYZQHMONX-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP C[C@H]1CN(CC(=O)NCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000362636954 445473382 /nfs/dbraw/zinc/47/33/82/445473382.db2.gz DSFDROMFQCWXFF-KRWDZBQOSA-N 2 0 344.503 1.403 20 0 EDADRP CN(CC[N@H+](C)C[C@H]1CCO[C@@H]1c1ccnn1C)C1CC[NH+](C)CC1 ZINC000349039425 445484760 /nfs/dbraw/zinc/48/47/60/445484760.db2.gz XJDGGNBDYIFBEH-APWZRJJASA-N 2 0 349.523 1.456 20 0 EDADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2CN(C)Cc2cc[nH]n2)n1 ZINC000354917830 445433773 /nfs/dbraw/zinc/43/37/73/445433773.db2.gz IALQQBGPFJMYDX-JSGCOSHPSA-N 2 0 333.415 1.315 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362565265 445442260 /nfs/dbraw/zinc/44/22/60/445442260.db2.gz AEPDYSKTCRZINY-LSDHHAIUSA-N 2 0 349.479 1.060 20 0 EDADRP Cc1cc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n(C)n1 ZINC000355887991 445519540 /nfs/dbraw/zinc/51/95/40/445519540.db2.gz YPJOZJJSWLSPEH-UHFFFAOYSA-N 2 0 338.500 1.144 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221045 445489787 /nfs/dbraw/zinc/48/97/87/445489787.db2.gz BPFRCNNSWHJQLK-MSOLQXFVSA-N 2 0 349.475 1.191 20 0 EDADRP CC(C)C[C@@H](CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)N1CCOCC1 ZINC000357635473 445572932 /nfs/dbraw/zinc/57/29/32/445572932.db2.gz DYWZQLPSNXHXEX-SJORKVTESA-N 2 0 342.528 1.761 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000360122216 445579636 /nfs/dbraw/zinc/57/96/36/445579636.db2.gz CRWLDZFMHNJRGA-OAHLLOKOSA-N 2 0 328.501 1.467 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000362772199 445543054 /nfs/dbraw/zinc/54/30/54/445543054.db2.gz DYTJSIYPPYSUAU-APWZRJJASA-N 2 0 345.487 1.975 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000353460539 445611996 /nfs/dbraw/zinc/61/19/96/445611996.db2.gz OXVIZMSZWVKIAU-CVEARBPZSA-N 2 0 332.448 1.903 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC(=O)NCc1ccccc1 ZINC000358521788 445631417 /nfs/dbraw/zinc/63/14/17/445631417.db2.gz YRJNHMYEEBQXJZ-UHFFFAOYSA-N 2 0 330.432 1.088 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353501258 445631737 /nfs/dbraw/zinc/63/17/37/445631737.db2.gz YTCCLVSACXOERR-MLHJIOFPSA-N 2 0 336.524 1.392 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000358610678 445675046 /nfs/dbraw/zinc/67/50/46/445675046.db2.gz VSLOGUGWWWRRAK-OAHLLOKOSA-N 2 0 327.517 1.040 20 0 EDADRP CN(C(=O)NCC[NH+](C)Cc1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349801188 445682330 /nfs/dbraw/zinc/68/23/30/445682330.db2.gz MXTWZVPZGZCCME-GOSISDBHSA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358658427 445698212 /nfs/dbraw/zinc/69/82/12/445698212.db2.gz DZHIZGGHBAFLEU-MJGOQNOKSA-N 2 0 348.491 1.435 20 0 EDADRP COCc1cccc(C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000353670426 445700520 /nfs/dbraw/zinc/70/05/20/445700520.db2.gz HIKPYOBFFSZDLJ-UHFFFAOYSA-N 2 0 333.476 1.915 20 0 EDADRP CCOC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353674008 445702710 /nfs/dbraw/zinc/70/27/10/445702710.db2.gz QUMLLGIECLKZNE-SJORKVTESA-N 2 0 325.497 1.773 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCc2ccnc(-n3ccnc3)c2)CC1 ZINC000363207826 445720319 /nfs/dbraw/zinc/72/03/19/445720319.db2.gz KXHCVLYBFOFIEC-UHFFFAOYSA-N 2 0 342.447 1.798 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363200355 445718404 /nfs/dbraw/zinc/71/84/04/445718404.db2.gz JDZVEIMVRIHVKW-SFHVURJKSA-N 2 0 345.491 1.482 20 0 EDADRP CC(C)CC(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000358695648 445722532 /nfs/dbraw/zinc/72/25/32/445722532.db2.gz RCDGKHBFTSYIEZ-LZWOXQAQSA-N 2 0 349.479 1.034 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC000349931994 445724518 /nfs/dbraw/zinc/72/45/18/445724518.db2.gz IFCJXBFAQKEFRB-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@H+](C)C1CC1 ZINC000356328210 445736594 /nfs/dbraw/zinc/73/65/94/445736594.db2.gz DRJGKFYYCDWUPO-OAHLLOKOSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](CC1CCOCC1)C[NH+]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000350006112 445747264 /nfs/dbraw/zinc/74/72/64/445747264.db2.gz GDCGUBOGCVMJRE-AEFFLSMTSA-N 2 0 337.508 1.678 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000356455307 445799809 /nfs/dbraw/zinc/79/98/09/445799809.db2.gz MKLYWHLIAXVGMF-INIZCTEOSA-N 2 0 340.512 1.262 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356610629 445884164 /nfs/dbraw/zinc/88/41/64/445884164.db2.gz UNUQLGKZWPILJN-QZTJIDSGSA-N 2 0 338.540 1.593 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979488 445837901 /nfs/dbraw/zinc/83/79/01/445837901.db2.gz QZGQJNDXIRBFMV-QCLGFWRNSA-N 2 0 336.524 1.390 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000354000375 445846379 /nfs/dbraw/zinc/84/63/79/445846379.db2.gz BHTNXASHQVODRX-ROUUACIJSA-N 2 0 335.492 1.574 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363662279 445866683 /nfs/dbraw/zinc/86/66/83/445866683.db2.gz MWEZJSKUPGGXPI-BSDSXHPESA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H](C)CN2CC[NH+](C)CC2)C[C@@H]1C ZINC000361775468 445933453 /nfs/dbraw/zinc/93/34/53/445933453.db2.gz WGEGCYVUPQNVFA-IKGGRYGDSA-N 2 0 339.528 1.137 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(C)=O)C2)[C@H](C)C1 ZINC000359034460 445900220 /nfs/dbraw/zinc/90/02/20/445900220.db2.gz ZFPYMSHXCBWYCN-NEWSRXKRSA-N 2 0 339.524 1.972 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000364334866 445911335 /nfs/dbraw/zinc/91/13/35/445911335.db2.gz CNRQNETYUZAGLG-RRFJBIMHSA-N 2 0 333.436 1.510 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)/C=C/C[NH+](C)C ZINC000372922347 445922724 /nfs/dbraw/zinc/92/27/24/445922724.db2.gz LVDNIYHZHSQVGS-VQFGERMISA-N 2 0 331.460 1.200 20 0 EDADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000361794361 445952786 /nfs/dbraw/zinc/95/27/86/445952786.db2.gz AEHGVVHKKWDUQM-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000351033856 445976216 /nfs/dbraw/zinc/97/62/16/445976216.db2.gz YBRHSRPXKXSQJR-JKSUJKDBSA-N 2 0 340.512 1.166 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC1 ZINC000359147740 445981582 /nfs/dbraw/zinc/98/15/82/445981582.db2.gz XQEYYSJZXRPPIW-SFHVURJKSA-N 2 0 330.476 1.998 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000365987213 445945523 /nfs/dbraw/zinc/94/55/23/445945523.db2.gz IBSKIHFJFIZWCO-IBGZPJMESA-N 2 0 345.487 1.660 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000361793029 445951600 /nfs/dbraw/zinc/95/16/00/445951600.db2.gz TYLGHYYIPJWFJX-FMKPAKJESA-N 2 0 331.526 1.507 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000583192272 326022996 /nfs/dbraw/zinc/02/29/96/326022996.db2.gz DVIJGWFICSCWQT-HOCLYGCPSA-N 2 0 331.464 1.846 20 0 EDADRP Cc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1-c1ncco1 ZINC000583552814 326093798 /nfs/dbraw/zinc/09/37/98/326093798.db2.gz VRGBNWDCQGRYPT-CQSZACIVSA-N 2 0 329.404 1.757 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)C[C@H]1CCS(=O)(=O)C1 ZINC000583659102 326112378 /nfs/dbraw/zinc/11/23/78/326112378.db2.gz DTSOZXPFDGZJJT-CQSZACIVSA-N 2 0 334.445 1.442 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000583682521 326117278 /nfs/dbraw/zinc/11/72/78/326117278.db2.gz ZFTNECUENGUHCO-ROUUACIJSA-N 2 0 330.476 1.875 20 0 EDADRP CN1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@H](C[NH3+])C1 ZINC000583860148 326153720 /nfs/dbraw/zinc/15/37/20/326153720.db2.gz PBKWLEKTQZPUGE-WBVHZDCISA-N 2 0 331.464 1.342 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000583930325 326167795 /nfs/dbraw/zinc/16/77/95/326167795.db2.gz ZHYVCYUBFMZAIC-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000584232048 326225580 /nfs/dbraw/zinc/22/55/80/326225580.db2.gz BHQZVYHJKXRGNI-SFHVURJKSA-N 2 0 330.432 1.190 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359241642 446074651 /nfs/dbraw/zinc/07/46/51/446074651.db2.gz PLPFYOKDNFPGSX-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@]([NH3+])(C(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000373173498 446074899 /nfs/dbraw/zinc/07/48/99/446074899.db2.gz OQLREVGBGXBSGM-ZIFCJYIRSA-N 2 0 327.403 1.953 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)CC[C@@H]1CCCC[NH+]1C ZINC000359249073 446082689 /nfs/dbraw/zinc/08/26/89/446082689.db2.gz HYJNNAZOFVEUGO-HOTGVXAUSA-N 2 0 340.512 1.166 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369657512 446140056 /nfs/dbraw/zinc/14/00/56/446140056.db2.gz UCKKXWAXKJKOLY-UHFFFAOYSA-N 2 0 336.484 1.954 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000359280167 446115566 /nfs/dbraw/zinc/11/55/66/446115566.db2.gz WPRKSUPWQUOFNF-HRCADAONSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CC3(CCC3)C(=O)O2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000365277285 446121524 /nfs/dbraw/zinc/12/15/24/446121524.db2.gz TTXRBPAEJZNDPZ-IKGGRYGDSA-N 2 0 335.492 1.430 20 0 EDADRP C[NH+](C)[C@@H]1CCc2ccccc2[C@H]1NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000369439675 446122446 /nfs/dbraw/zinc/12/24/46/446122446.db2.gz WQQGTYPIAVTLCI-CGTJXYLNSA-N 2 0 330.476 1.998 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CCc2nccn2C1 ZINC000365293237 446129510 /nfs/dbraw/zinc/12/95/10/446129510.db2.gz LUORHDSVVOKFNV-MRXNPFEDSA-N 2 0 342.443 1.702 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H]1CCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000370159120 446186607 /nfs/dbraw/zinc/18/66/07/446186607.db2.gz FKXPHOPBEXZTLW-HZPDHXFCSA-N 2 0 345.491 1.373 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C[NH2+]CC3CC3)[C@H](C)C2)s1 ZINC000366319543 446147248 /nfs/dbraw/zinc/14/72/48/446147248.db2.gz CDXRJCZSCNEMNU-WBMJQRKESA-N 2 0 336.505 1.778 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365411881 446195385 /nfs/dbraw/zinc/19/53/85/446195385.db2.gz KWRGJIRJFOTIOE-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000366407057 446197597 /nfs/dbraw/zinc/19/75/97/446197597.db2.gz DDKCXCZVUCNGHM-CABCVRRESA-N 2 0 329.448 1.304 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)[C@]2([NH+](C)C)CCCSC2)CCCO1 ZINC000365455030 446215041 /nfs/dbraw/zinc/21/50/41/446215041.db2.gz GSUHKAVESJHAIR-WBVHZDCISA-N 2 0 343.537 1.431 20 0 EDADRP Cc1cc(C[N@@H+](C)C[C@H]2C[C@@H](F)CN2c2ccnc(N(C)C)n2)on1 ZINC000351622833 446217027 /nfs/dbraw/zinc/21/70/27/446217027.db2.gz SSNSPJVZWNCIMQ-ZIAGYGMSSA-N 2 0 348.426 1.888 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000366521530 446247605 /nfs/dbraw/zinc/24/76/05/446247605.db2.gz ZDXDWYXJVUYQBK-ZWKOTPCHSA-N 2 0 347.528 1.905 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000359502073 446262778 /nfs/dbraw/zinc/26/27/78/446262778.db2.gz DKONVHTUGNTURM-IRXDYDNUSA-N 2 0 327.513 1.802 20 0 EDADRP CC[NH+]1CCCN(c2nc(C)nc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000359520683 446273683 /nfs/dbraw/zinc/27/36/83/446273683.db2.gz AYGNTNMLTCIQNS-UHFFFAOYSA-N 2 0 347.511 1.244 20 0 EDADRP Cc1cc(NCC[NH2+]C2CC[NH+](C3CCCC3)CC2)n2ncnc2n1 ZINC000362306291 446313732 /nfs/dbraw/zinc/31/37/32/446313732.db2.gz XRWIKLZLSOGBGM-UHFFFAOYSA-N 2 0 343.479 1.841 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417445195 446352003 /nfs/dbraw/zinc/35/20/03/446352003.db2.gz FUXTUDQHKKXDLH-LSDHHAIUSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000417479117 446352990 /nfs/dbraw/zinc/35/29/90/446352990.db2.gz JMAZPQNUUYIBDI-YJBOKZPZSA-N 2 0 348.491 1.896 20 0 EDADRP COC[C@H]([NH3+])C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000376145244 446353076 /nfs/dbraw/zinc/35/30/76/446353076.db2.gz SODDSYHTLWKTLE-KSZLIROESA-N 2 0 331.460 1.616 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417482984 446353549 /nfs/dbraw/zinc/35/35/49/446353549.db2.gz QQDBHDPLDOINRV-YOEHRIQHSA-N 2 0 334.464 1.648 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000417502321 446355811 /nfs/dbraw/zinc/35/58/11/446355811.db2.gz KRECNCRMCLQLMT-SFHVURJKSA-N 2 0 344.503 1.944 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417547840 446364340 /nfs/dbraw/zinc/36/43/40/446364340.db2.gz PIIWIGWXNDPYKV-GOEBONIOSA-N 2 0 340.512 1.693 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@H](C)C2)[C@H](C)C1 ZINC000417669686 446369522 /nfs/dbraw/zinc/36/95/22/446369522.db2.gz MSMKHTMKVIPFHF-NCOADZHNSA-N 2 0 340.512 1.502 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C[NH3+])C1 ZINC000417915261 446384641 /nfs/dbraw/zinc/38/46/41/446384641.db2.gz UEBOTNMUHXIHHB-GVDBMIGSSA-N 2 0 340.512 1.502 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1c1ccccc1 ZINC000417953196 446398209 /nfs/dbraw/zinc/39/82/09/446398209.db2.gz ZBPFBIMTURDKFB-MJBXVCDLSA-N 2 0 326.391 1.714 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000418083060 446434903 /nfs/dbraw/zinc/43/49/03/446434903.db2.gz YZCJCAYPZIUIMN-GDBMZVCRSA-N 2 0 336.505 1.641 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000418135218 446442397 /nfs/dbraw/zinc/44/23/97/446442397.db2.gz HRRZBRGOTPKYHK-ZWKOTPCHSA-N 2 0 346.475 1.185 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CCC[NH2+]CC3)CC2)cc1 ZINC000420275509 446445149 /nfs/dbraw/zinc/44/51/49/446445149.db2.gz QIOCDKSWZGIELW-UHFFFAOYSA-N 2 0 344.503 1.325 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418178653 446448027 /nfs/dbraw/zinc/44/80/27/446448027.db2.gz ZAHYZBBKVQUVRG-RDTXWAMCSA-N 2 0 346.475 1.791 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000420282678 446450292 /nfs/dbraw/zinc/45/02/92/446450292.db2.gz AZZSHUXDLSGVRT-WWGRRREGSA-N 2 0 333.432 1.147 20 0 EDADRP C[C@H]1[C@@H]([NH2+]CCCN2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423193530 446450357 /nfs/dbraw/zinc/45/03/57/446450357.db2.gz WTCSVMVMHKQTSM-ICSRJNTNSA-N 2 0 330.520 1.924 20 0 EDADRP Clc1ccccc1C[C@H]([NH2+]CCN1CC[NH2+]CC1)[C@@H]1CCCO1 ZINC000423199976 446451320 /nfs/dbraw/zinc/45/13/20/446451320.db2.gz DBNKLDBOCYLJAX-ROUUACIJSA-N 2 0 337.895 1.925 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417986988 446407679 /nfs/dbraw/zinc/40/76/79/446407679.db2.gz HJZYSYQYEDQPGE-QGTPRVQTSA-N 2 0 346.475 1.180 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418036206 446422022 /nfs/dbraw/zinc/42/20/22/446422022.db2.gz PYLAGBHIASGIAH-GWCFXTLKSA-N 2 0 332.370 1.955 20 0 EDADRP COCC1(CNC(=O)N[C@H](C)C[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000418048925 446425848 /nfs/dbraw/zinc/42/58/48/446425848.db2.gz SNYYYPNKVXYVHI-MRXNPFEDSA-N 2 0 340.512 1.566 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000418203298 446455671 /nfs/dbraw/zinc/45/56/71/446455671.db2.gz VLVJOQGYRIQVLV-CQSZACIVSA-N 2 0 328.526 1.597 20 0 EDADRP CN1CCO[C@H](C(=O)NCC2([N@H+](C)Cc3ccccc3)CCC2)C1 ZINC000452735397 446456606 /nfs/dbraw/zinc/45/66/06/446456606.db2.gz XFLQJIGFTUAWAA-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP Cc1nc(C[C@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)no1 ZINC000420296076 446459731 /nfs/dbraw/zinc/45/97/31/446459731.db2.gz CZJHDUDZBSFOQU-SQNIBIBYSA-N 2 0 344.459 1.563 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCCOCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000420298584 446462388 /nfs/dbraw/zinc/46/23/88/446462388.db2.gz SDPQEBZLNSIHGH-IBGZPJMESA-N 2 0 345.487 1.737 20 0 EDADRP CC(C)C(=O)NC[C@@H]1CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420304351 446468654 /nfs/dbraw/zinc/46/86/54/446468654.db2.gz OFQSZJNSIURNPV-FHWLQOOXSA-N 2 0 347.503 1.402 20 0 EDADRP COc1cc(Cl)ccc1CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000420312256 446475569 /nfs/dbraw/zinc/47/55/69/446475569.db2.gz SBHPYKOWELLPFT-OAHLLOKOSA-N 2 0 337.851 1.745 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420311862 446475909 /nfs/dbraw/zinc/47/59/09/446475909.db2.gz IBUACZPCYTYWEU-HOTGVXAUSA-N 2 0 345.443 1.124 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313847 446477476 /nfs/dbraw/zinc/47/74/76/446477476.db2.gz JKNOJDXRVSGQEJ-WMZOPIPTSA-N 2 0 330.476 1.779 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC1([NH3+])CCCCCC1 ZINC000418286860 446484548 /nfs/dbraw/zinc/48/45/48/446484548.db2.gz SESPYVWKWFVXAP-INIZCTEOSA-N 2 0 339.528 1.363 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000423318052 446486193 /nfs/dbraw/zinc/48/61/93/446486193.db2.gz BXVAABSOIZWRKX-KSSFIOAISA-N 2 0 331.460 1.970 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418289881 446486617 /nfs/dbraw/zinc/48/66/17/446486617.db2.gz JWYJOWNPIQNJSK-MRXNPFEDSA-N 2 0 333.480 1.592 20 0 EDADRP OC1(C[NH+]2CCOCC2)CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000374972069 446490554 /nfs/dbraw/zinc/49/05/54/446490554.db2.gz UJTYAQFWEFDTFT-UHFFFAOYSA-N 2 0 327.428 1.898 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420325525 446491936 /nfs/dbraw/zinc/49/19/36/446491936.db2.gz IQUGQJIPQWWZJK-JKSUJKDBSA-N 2 0 326.448 1.526 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000423335743 446493661 /nfs/dbraw/zinc/49/36/61/446493661.db2.gz RYEFRBIKKLZHNX-INIZCTEOSA-N 2 0 345.491 1.825 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370878723 446494982 /nfs/dbraw/zinc/49/49/82/446494982.db2.gz FGHNMZKZSCNUGY-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC([NH+]2CCCC2)CC1 ZINC000418330656 446502600 /nfs/dbraw/zinc/50/26/00/446502600.db2.gz QKXGDEIIFAKKFG-UHFFFAOYSA-N 2 0 345.491 1.831 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000423366540 446502760 /nfs/dbraw/zinc/50/27/60/446502760.db2.gz XTGPUNJCUYEVMT-CJNGLKHVSA-N 2 0 332.448 1.903 20 0 EDADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420333351 446502997 /nfs/dbraw/zinc/50/29/97/446502997.db2.gz SRFXJPWFIBXTFH-HOTGVXAUSA-N 2 0 337.508 1.853 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000418332946 446503795 /nfs/dbraw/zinc/50/37/95/446503795.db2.gz DRRQEXBEUOTYJJ-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH2+]CCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418332291 446503964 /nfs/dbraw/zinc/50/39/64/446503964.db2.gz RDFVEDZGWGBYGG-IBGZPJMESA-N 2 0 330.476 1.904 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423365793 446504061 /nfs/dbraw/zinc/50/40/61/446504061.db2.gz PVPRECVFDRNFLR-DAYGRLMNSA-N 2 0 325.497 1.485 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000420336635 446506698 /nfs/dbraw/zinc/50/66/98/446506698.db2.gz MMOZNVUHOVHTDY-GOSISDBHSA-N 3 0 334.508 1.193 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000423383201 446509930 /nfs/dbraw/zinc/50/99/30/446509930.db2.gz PGHSWYLPAGXAAT-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420340279 446511655 /nfs/dbraw/zinc/51/16/55/446511655.db2.gz ZVARFRDSOQRCOA-JKSUJKDBSA-N 2 0 345.443 1.733 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)[C@@H](C[NH3+])C1 ZINC000418366120 446515192 /nfs/dbraw/zinc/51/51/92/446515192.db2.gz XZCLAYSYURVNRX-KURKYZTESA-N 2 0 348.491 1.958 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418366340 446516018 /nfs/dbraw/zinc/51/60/18/446516018.db2.gz POIGWFFDQJTKHL-SZMVWBNQSA-N 2 0 348.491 1.024 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000420331043 446500902 /nfs/dbraw/zinc/50/09/02/446500902.db2.gz BHZIJYLPJUOCQQ-HUUCEWRRSA-N 2 0 330.432 1.656 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423506044 446558502 /nfs/dbraw/zinc/55/85/02/446558502.db2.gz LWWFRHBLMXINBP-BFHYXJOUSA-N 2 0 325.478 1.729 20 0 EDADRP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388764 446562445 /nfs/dbraw/zinc/56/24/45/446562445.db2.gz MOKIOQGQNPKUJL-BBWFWOEESA-N 2 0 335.492 1.478 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418370575 446517618 /nfs/dbraw/zinc/51/76/18/446517618.db2.gz ORTZEAGHYDPBRO-ROUUACIJSA-N 2 0 345.491 1.830 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2)N1CC[NH2+]CC1 ZINC000423401254 446518524 /nfs/dbraw/zinc/51/85/24/446518524.db2.gz XMLOEGLYGNYETB-KBUPBQIOSA-N 2 0 347.425 1.760 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000418391049 446525883 /nfs/dbraw/zinc/52/58/83/446525883.db2.gz PHAIPIOMSYEWDA-HNNXBMFYSA-N 2 0 333.480 1.795 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418394986 446527415 /nfs/dbraw/zinc/52/74/15/446527415.db2.gz YFKNFBDHPFOVNP-IRXDYDNUSA-N 2 0 340.512 1.646 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418402529 446530934 /nfs/dbraw/zinc/53/09/34/446530934.db2.gz HPZDSMRQFZXPTJ-BBWFWOEESA-N 3 0 339.528 1.171 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418402530 446531190 /nfs/dbraw/zinc/53/11/90/446531190.db2.gz HPZDSMRQFZXPTJ-BRWVUGGUSA-N 3 0 339.528 1.171 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000423426367 446531612 /nfs/dbraw/zinc/53/16/12/446531612.db2.gz HRXJUALGTXDDID-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@H](O)C[NH3+] ZINC000420352780 446532027 /nfs/dbraw/zinc/53/20/27/446532027.db2.gz MTAWLDYRLJVHIL-MRXNPFEDSA-N 2 0 327.428 1.934 20 0 EDADRP Cc1nn(C)c(C)c1[C@@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433145181 446537214 /nfs/dbraw/zinc/53/72/14/446537214.db2.gz PKLVELVKMSXCAQ-KRWDZBQOSA-N 2 0 347.507 1.904 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433169380 446543274 /nfs/dbraw/zinc/54/32/74/446543274.db2.gz QZOKDOQIBBZWPT-UHFFFAOYSA-N 3 0 338.540 1.770 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CCC1CC[NH2+]CC1 ZINC000420364012 446544022 /nfs/dbraw/zinc/54/40/22/446544022.db2.gz QIHXNBHFWVEJOM-ZDUSSCGKSA-N 2 0 325.478 1.717 20 0 EDADRP COc1ccccc1[C@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000423458088 446545277 /nfs/dbraw/zinc/54/52/77/446545277.db2.gz PQMDBQPRVAYWCP-CRFBAAHOSA-N 2 0 331.460 1.993 20 0 EDADRP COC1([C@H](C)[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CCOCC1 ZINC000453124164 446545774 /nfs/dbraw/zinc/54/57/74/446545774.db2.gz NRPPKJPAPLLTFH-HKUYNNGSSA-N 2 0 348.487 1.797 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418453353 446549046 /nfs/dbraw/zinc/54/90/46/446549046.db2.gz OZQQUWMLYDXLFH-SJORKVTESA-N 2 0 334.464 1.078 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420376050 446552385 /nfs/dbraw/zinc/55/23/85/446552385.db2.gz JLYHQDWZPRUYDY-CWRNSKLLSA-N 2 0 325.497 1.898 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)c1 ZINC000423490670 446554249 /nfs/dbraw/zinc/55/42/49/446554249.db2.gz XWXUMYJDVXHWPF-UKRRQHHQSA-N 2 0 325.478 1.778 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418500559 446569166 /nfs/dbraw/zinc/56/91/66/446569166.db2.gz OJLPDZYVTXPSAE-HEHGZKQESA-N 2 0 338.402 1.462 20 0 EDADRP C[C@H](NC(=O)C[NH+]1CCC(O)(C[NH3+])CC1)c1cccc2ccccc21 ZINC000420401944 446575380 /nfs/dbraw/zinc/57/53/80/446575380.db2.gz HFTCUZDMSPLNBW-HNNXBMFYSA-N 2 0 341.455 1.803 20 0 EDADRP CCN(C(=O)NC[C@H]1CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418521289 446579823 /nfs/dbraw/zinc/57/98/23/446579823.db2.gz IGUYYTPPXCYPRG-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418524298 446581730 /nfs/dbraw/zinc/58/17/30/446581730.db2.gz MZOIARKPISKXDZ-ZWKOTPCHSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@H]1CCN(CC(=O)Nc2cccc(N3CCCC3=O)c2)C[C@@H]1C[NH3+] ZINC000420413974 446587572 /nfs/dbraw/zinc/58/75/72/446587572.db2.gz UEEKNHKPWSFFQP-GJZGRUSLSA-N 2 0 344.459 1.669 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418567932 446597799 /nfs/dbraw/zinc/59/77/99/446597799.db2.gz XCZITNIHAZOOFH-YJBOKZPZSA-N 2 0 334.464 1.002 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418660548 446638875 /nfs/dbraw/zinc/63/88/75/446638875.db2.gz NYLWBOAZYZQSEV-DLBZAZTESA-N 2 0 334.464 1.741 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000418666733 446641827 /nfs/dbraw/zinc/64/18/27/446641827.db2.gz GMQLJIVOOHBKTF-ROUUACIJSA-N 2 0 348.491 1.613 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C2)C1 ZINC000418677917 446645347 /nfs/dbraw/zinc/64/53/47/446645347.db2.gz BMSUPGTWNFSVNV-NLWGTHIKSA-N 2 0 342.487 1.869 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000368113868 446649308 /nfs/dbraw/zinc/64/93/08/446649308.db2.gz UOLTXCRSOIXOIA-ZFWWWQNUSA-N 2 0 328.420 1.503 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418694865 446651841 /nfs/dbraw/zinc/65/18/41/446651841.db2.gz WNMGJBDCYCYDFP-QFBILLFUSA-N 2 0 348.491 1.392 20 0 EDADRP C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000368142640 446666656 /nfs/dbraw/zinc/66/66/56/446666656.db2.gz MDMKRLHBHPWLNB-UOVPBQLFSA-N 2 0 336.501 1.920 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418751842 446671028 /nfs/dbraw/zinc/67/10/28/446671028.db2.gz RZIUOLRBAKZKQX-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@H]([NH3+])c1ccccc1 ZINC000423743669 446672974 /nfs/dbraw/zinc/67/29/74/446672974.db2.gz KIWAAPLYFIHOLF-SZMVWBNQSA-N 2 0 333.476 1.892 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000423742735 446673219 /nfs/dbraw/zinc/67/32/19/446673219.db2.gz JLKFKBFVMMUVEO-IBGZPJMESA-N 2 0 345.487 1.558 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418628352 446621421 /nfs/dbraw/zinc/62/14/21/446621421.db2.gz OWWSWPLYAUYXAB-GFCCVEGCSA-N 2 0 328.407 1.646 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423665422 446631576 /nfs/dbraw/zinc/63/15/76/446631576.db2.gz HJXWMSKPERXOID-RTBURBONSA-N 2 0 343.471 1.633 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C[C@H](C)O ZINC000418651504 446634196 /nfs/dbraw/zinc/63/41/96/446634196.db2.gz YNPHOXHBHZNJBU-ARFHVFGLSA-N 2 0 340.512 1.251 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000418651506 446634907 /nfs/dbraw/zinc/63/49/07/446634907.db2.gz YNPHOXHBHZNJBU-BZUAXINKSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@H](CC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@H]1CCC[NH2+]C1 ZINC000423762561 446691227 /nfs/dbraw/zinc/69/12/27/446691227.db2.gz SRUCRCMZWHNDQH-SJORKVTESA-N 2 0 332.492 1.998 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000423801682 446699311 /nfs/dbraw/zinc/69/93/11/446699311.db2.gz NNNIAQUYFLTISO-PASDCYSWSA-N 2 0 337.508 1.756 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2csc(CC[NH3+])n2)cc1F ZINC000423846259 446728696 /nfs/dbraw/zinc/72/86/96/446728696.db2.gz OQWIFWMULJXAMO-UHFFFAOYSA-N 2 0 336.436 1.775 20 0 EDADRP CC(C)(CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCCCC1 ZINC000418827305 446734006 /nfs/dbraw/zinc/73/40/06/446734006.db2.gz DMXXZJJCBMKIQT-OAHLLOKOSA-N 2 0 338.496 1.001 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C1(C[NH3+])CCCC1 ZINC000423926188 446777232 /nfs/dbraw/zinc/77/72/32/446777232.db2.gz CPILVLGFAZUMPH-DOTOQJQBSA-N 2 0 347.507 1.781 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@@H](C)[NH3+] ZINC000423930676 446782554 /nfs/dbraw/zinc/78/25/54/446782554.db2.gz LGRBZXBVHRCMCR-CYGHRXIMSA-N 2 0 349.523 1.881 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CCCCCC1 ZINC000418902591 446785194 /nfs/dbraw/zinc/78/51/94/446785194.db2.gz QAWLMONFGLQBPK-CABCVRRESA-N 2 0 338.496 1.143 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000420745663 446788038 /nfs/dbraw/zinc/78/80/38/446788038.db2.gz ZDJDXMSQVSTYTE-OAHLLOKOSA-N 2 0 325.478 1.463 20 0 EDADRP CCOCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424018762 446824800 /nfs/dbraw/zinc/82/48/00/446824800.db2.gz JUABEJMLEVLCSI-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000418957347 446826496 /nfs/dbraw/zinc/82/64/96/446826496.db2.gz DNNCTTICLVMDMX-ODIFPOPNSA-N 2 0 346.475 1.009 20 0 EDADRP [NH3+]CC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000424036392 446828346 /nfs/dbraw/zinc/82/83/46/446828346.db2.gz HGOUFXNJHAZXOA-UHFFFAOYSA-N 3 0 344.503 1.615 20 0 EDADRP CC(C)c1cc(NCCN2CC[N@H+](C)C(C)(C)C2)nc(N(C)C)[nH+]1 ZINC000440680537 446851127 /nfs/dbraw/zinc/85/11/27/446851127.db2.gz YGJZAGCFOGHGFE-UHFFFAOYSA-N 2 0 334.512 2.104 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CCCO1 ZINC000368439401 446862837 /nfs/dbraw/zinc/86/28/37/446862837.db2.gz UKHWNWIDXSKQSF-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000419010813 446865376 /nfs/dbraw/zinc/86/53/76/446865376.db2.gz RDTNRFSDJSIXAA-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP OCC1(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)COC1 ZINC000368444765 446866619 /nfs/dbraw/zinc/86/66/19/446866619.db2.gz CUEJQUYFOJWNMF-RTBURBONSA-N 2 0 330.472 1.982 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000419021522 446870816 /nfs/dbraw/zinc/87/08/16/446870816.db2.gz HALWTIFACLFCTJ-SOUVJXGZSA-N 2 0 340.512 1.103 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000420906766 446881313 /nfs/dbraw/zinc/88/13/13/446881313.db2.gz DBAHSJQGTOWGKD-UYSNPLJNSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1CN2CCCC[C@H]2CO1)C1=CC[N@H+](C)CC1 ZINC000371574874 446932393 /nfs/dbraw/zinc/93/23/93/446932393.db2.gz NEGWWZXVYYQWMN-XIRDDKMYSA-N 2 0 336.480 1.189 20 0 EDADRP C[C@@H](NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1=CC[NH+](C)CC1 ZINC000371579920 446935139 /nfs/dbraw/zinc/93/51/39/446935139.db2.gz MCTZBWVMQAADPY-WBVHZDCISA-N 2 0 349.523 1.105 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[NH+]1CCC(C)CC1 ZINC000377173649 446969991 /nfs/dbraw/zinc/96/99/91/446969991.db2.gz PJRIPSJUFMCEPZ-BRWVUGGUSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000419187278 446999583 /nfs/dbraw/zinc/99/95/83/446999583.db2.gz FUEFFGULHOKHEF-WBVHZDCISA-N 2 0 348.491 1.113 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000368795423 447112214 /nfs/dbraw/zinc/11/22/14/447112214.db2.gz GBLUTKJQLDEHNP-BPQIPLTHSA-N 2 0 331.460 1.344 20 0 EDADRP C[C@@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000372493776 447086987 /nfs/dbraw/zinc/08/69/87/447086987.db2.gz ABOWQLITUZCMCF-OAHLLOKOSA-N 2 0 342.528 1.451 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[N@H+](C)C2CCCCC2)C1(C)C ZINC000444179168 447090607 /nfs/dbraw/zinc/09/06/07/447090607.db2.gz YLEWCYVVXWAGKT-YJBOKZPZSA-N 2 0 325.497 1.900 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000419404381 447154376 /nfs/dbraw/zinc/15/43/76/447154376.db2.gz GDGHKTLNWFQFSK-GDBMZVCRSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000419404750 447155577 /nfs/dbraw/zinc/15/55/77/447155577.db2.gz GHKUUUZIEUXDIM-HOTGVXAUSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419444110 447180508 /nfs/dbraw/zinc/18/05/08/447180508.db2.gz SQEIBTBOVSWDDD-BZUAXINKSA-N 2 0 328.501 1.059 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000377559608 447204851 /nfs/dbraw/zinc/20/48/51/447204851.db2.gz CAWXTDCWTWOHIO-BPQIPLTHSA-N 2 0 330.476 1.798 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000455672926 447205938 /nfs/dbraw/zinc/20/59/38/447205938.db2.gz WIYCLOOBQKKDIS-UHFFFAOYSA-N 2 0 336.484 1.879 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000455670018 447206320 /nfs/dbraw/zinc/20/63/20/447206320.db2.gz OXIGBZHYPUPBTB-CABCVRRESA-N 2 0 336.484 1.687 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000419474502 447206918 /nfs/dbraw/zinc/20/69/18/447206918.db2.gz CAPDCMYXEGDQSM-MRXNPFEDSA-N 2 0 340.512 1.104 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419478405 447210765 /nfs/dbraw/zinc/21/07/65/447210765.db2.gz JOLWKXQAPUOTCS-CVEARBPZSA-N 2 0 338.496 1.097 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@@H]3CCC[NH2+][C@@H]3C)CC2)CC1 ZINC000377568129 447210785 /nfs/dbraw/zinc/21/07/85/447210785.db2.gz YZSXNQOLFFDPGU-SJLPKXTDSA-N 2 0 336.524 1.393 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000425653494 447253992 /nfs/dbraw/zinc/25/39/92/447253992.db2.gz OADCIYNEKXNVGM-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000446055398 447221756 /nfs/dbraw/zinc/22/17/56/447221756.db2.gz RINVUKPTYFDZSE-HNNXBMFYSA-N 2 0 344.459 1.082 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)CC1 ZINC000376040920 447229446 /nfs/dbraw/zinc/22/94/46/447229446.db2.gz CXMCAJJYSHOQRH-HOCLYGCPSA-N 2 0 346.479 1.898 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)C(C)C ZINC000419504017 447229463 /nfs/dbraw/zinc/22/94/63/447229463.db2.gz UNFSQSFLNADWBM-IRXDYDNUSA-N 2 0 342.528 1.592 20 0 EDADRP C[C@H](NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1=CC[N@H+](C)CC1 ZINC000376040706 447229676 /nfs/dbraw/zinc/22/96/76/447229676.db2.gz BSBYEJMEUNRCHD-AWEZNQCLSA-N 2 0 346.479 1.922 20 0 EDADRP COC1([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)CCCCC1 ZINC000421838080 447263118 /nfs/dbraw/zinc/26/31/18/447263118.db2.gz UTCZVVVZZBRGPJ-GOSISDBHSA-N 2 0 341.540 1.704 20 0 EDADRP C[C@H](CCNC(=O)COC1CC[NH2+]CC1)[N@H+](C)Cc1ccccc1 ZINC000379667742 447452839 /nfs/dbraw/zinc/45/28/39/447452839.db2.gz BUMQCZYMHMKQRA-MRXNPFEDSA-N 2 0 333.476 1.782 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419903066 447479366 /nfs/dbraw/zinc/47/93/66/447479366.db2.gz UVTSEXKTNRGLJF-CVEARBPZSA-N 2 0 340.512 1.071 20 0 EDADRP COCC1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000390006661 447489594 /nfs/dbraw/zinc/48/95/94/447489594.db2.gz XAAXCNXMXKQFPV-AEFFLSMTSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415512599 447489794 /nfs/dbraw/zinc/48/97/94/447489794.db2.gz UQCUGYQMCFYCMM-LSDHHAIUSA-N 2 0 346.475 1.568 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NCC[NH+]1CCCOCC1 ZINC000458847847 447490007 /nfs/dbraw/zinc/49/00/07/447490007.db2.gz QWSOENVWAIJSFD-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390756742 447496350 /nfs/dbraw/zinc/49/63/50/447496350.db2.gz WVBGRFBASXFEKW-KRWDZBQOSA-N 2 0 331.460 1.536 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@@H](C)O1 ZINC000426809939 447503487 /nfs/dbraw/zinc/50/34/87/447503487.db2.gz GWFROYDWKSTOKA-HZPDHXFCSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390906468 447506012 /nfs/dbraw/zinc/50/60/12/447506012.db2.gz SCWXMADHZYPSPH-JQHSSLGASA-N 2 0 331.460 1.392 20 0 EDADRP Cc1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)n(C)n1 ZINC000390914934 447506344 /nfs/dbraw/zinc/50/63/44/447506344.db2.gz COUWHPYDOCOQTM-UHFFFAOYSA-N 2 0 327.476 1.636 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000427292617 447575622 /nfs/dbraw/zinc/57/56/22/447575622.db2.gz SABABFXURKLSSI-LJQANCHMSA-N 2 0 344.503 1.310 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104267 447556592 /nfs/dbraw/zinc/55/65/92/447556592.db2.gz AZMFDAIWHKFNCB-APWZRJJASA-N 2 0 345.487 1.782 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000427468224 447601665 /nfs/dbraw/zinc/60/16/65/447601665.db2.gz AMASOHBWVBFDJG-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416852930 447696902 /nfs/dbraw/zinc/69/69/02/447696902.db2.gz SSYIEMXNZYVIIF-ICSRJNTNSA-N 2 0 344.503 1.944 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000420216013 447674096 /nfs/dbraw/zinc/67/40/96/447674096.db2.gz WPXKWVYTPVUXNL-HOTGVXAUSA-N 2 0 340.512 1.056 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN(C)CC(F)(F)F)CC[NH2+]CC1 ZINC000422713122 447724324 /nfs/dbraw/zinc/72/43/24/447724324.db2.gz PEXQNOIKDFZFLQ-GFCCVEGCSA-N 2 0 339.402 1.392 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416957968 447727935 /nfs/dbraw/zinc/72/79/35/447727935.db2.gz OMPMVRABAVEDEZ-HZPDHXFCSA-N 2 0 326.485 1.160 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C2CCC2)C2CCC2)C1 ZINC000429124212 447728636 /nfs/dbraw/zinc/72/86/36/447728636.db2.gz ZBCLRSAOQBAOQR-SFHVURJKSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@H+](CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000417016214 447729610 /nfs/dbraw/zinc/72/96/10/447729610.db2.gz OAPIKIXHSUMTNZ-CQSZACIVSA-N 2 0 332.439 1.937 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000417010521 447729877 /nfs/dbraw/zinc/72/98/77/447729877.db2.gz PJZVDXNSCKBHDH-SJLPKXTDSA-N 2 0 330.476 1.861 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CO)Cc2ccccc2)CC[NH2+]CC1 ZINC000422767346 447744000 /nfs/dbraw/zinc/74/40/00/447744000.db2.gz RXUUUGAKJMZOLM-FUHWJXTLSA-N 2 0 348.487 1.749 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422769256 447745447 /nfs/dbraw/zinc/74/54/47/447745447.db2.gz VLGJWMBIMOTEBE-LBPRGKRZSA-N 2 0 333.885 1.725 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422844355 447767663 /nfs/dbraw/zinc/76/76/63/447767663.db2.gz LNUTUQGFDYJAKX-SJLPKXTDSA-N 2 0 330.476 1.442 20 0 EDADRP CC[C@@H](NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000422884015 447770679 /nfs/dbraw/zinc/77/06/79/447770679.db2.gz RHJXVZGNYXSUEM-QZTJIDSGSA-N 2 0 331.508 1.844 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422938192 447776937 /nfs/dbraw/zinc/77/69/37/447776937.db2.gz GVRUISFUJFZUSK-KCQAQPDRSA-N 2 0 325.478 1.586 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953146 447779432 /nfs/dbraw/zinc/77/94/32/447779432.db2.gz DLDYYEMFMPMUDV-GXTWGEPZSA-N 2 0 340.265 1.896 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953884 447779694 /nfs/dbraw/zinc/77/96/94/447779694.db2.gz GVBWEIQKFSUMOJ-LLVKDONJSA-N 2 0 328.254 1.896 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000430710270 447783570 /nfs/dbraw/zinc/78/35/70/447783570.db2.gz RYCOQNVVJGONKR-UHFFFAOYSA-N 2 0 346.475 1.113 20 0 EDADRP O[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C[N@@H+]1CCc2ccccc2C1 ZINC000422969599 447784020 /nfs/dbraw/zinc/78/40/20/447784020.db2.gz USRFNTDCVPGUQN-XRXFAXGQSA-N 2 0 343.515 1.916 20 0 EDADRP COc1ccc([C@H](NCC2CC[NH+](CCO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422973077 447784716 /nfs/dbraw/zinc/78/47/16/447784716.db2.gz BDZCXXYHUNDVKM-PMACEKPBSA-N 2 0 347.503 1.782 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000430798156 447786125 /nfs/dbraw/zinc/78/61/25/447786125.db2.gz SCFLUCLZZAPFTG-BBRMVZONSA-N 2 0 334.468 1.005 20 0 EDADRP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000423020794 447792105 /nfs/dbraw/zinc/79/21/05/447792105.db2.gz AIEIIOUDCIONQG-ABHNRTSZSA-N 2 0 333.476 1.467 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)CC[NH2+]CC1 ZINC000423018668 447792274 /nfs/dbraw/zinc/79/22/74/447792274.db2.gz RRDITKZGMPIWDZ-JJXSEGSLSA-N 2 0 336.476 1.855 20 0 EDADRP OC[C@@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccccc1Br ZINC000423075650 447799838 /nfs/dbraw/zinc/79/98/38/447799838.db2.gz PDCYYMNCFFOTPZ-GFCCVEGCSA-N 2 0 327.266 1.942 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000423079269 447800873 /nfs/dbraw/zinc/80/08/73/447800873.db2.gz XXTBNQFSQGBSBK-HOCLYGCPSA-N 2 0 326.462 1.324 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000523005253 447867599 /nfs/dbraw/zinc/86/75/99/447867599.db2.gz MWIQTGMRHUIOLP-QGZVFWFLSA-N 2 0 339.528 1.044 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1 ZINC000575982719 447943159 /nfs/dbraw/zinc/94/31/59/447943159.db2.gz KNQUEUMQIVUYTN-GJZGRUSLSA-N 2 0 331.416 1.443 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000570142707 447951667 /nfs/dbraw/zinc/95/16/67/447951667.db2.gz CPHUZPUKJWBYLB-OAHLLOKOSA-N 2 0 348.495 2.002 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000569920327 447917992 /nfs/dbraw/zinc/91/79/92/447917992.db2.gz GFBOWKQIQRKRBB-WMZOPIPTSA-N 2 0 335.492 1.208 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000569925806 447919501 /nfs/dbraw/zinc/91/95/01/447919501.db2.gz XWALLUBPYBNHEQ-FRQCXROJSA-N 2 0 335.492 1.510 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000524394792 447928455 /nfs/dbraw/zinc/92/84/55/447928455.db2.gz HXRFQUHMXYPGRX-HXUWFJFHSA-N 2 0 345.487 1.424 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CC1 ZINC000576403735 448045900 /nfs/dbraw/zinc/04/59/00/448045900.db2.gz XUSHWEHAZDRYSU-IRXDYDNUSA-N 3 0 336.524 1.297 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000576611665 448098084 /nfs/dbraw/zinc/09/80/84/448098084.db2.gz WYBCEFQGENFJKO-YJBOKZPZSA-N 2 0 330.476 1.905 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000502749774 448104417 /nfs/dbraw/zinc/10/44/17/448104417.db2.gz JUNLBTGBXCYLAA-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)C1=O ZINC000576697268 448116502 /nfs/dbraw/zinc/11/65/02/448116502.db2.gz XSKRCPQAABHBSO-CUGJGTHOSA-N 2 0 331.460 1.210 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000571184149 448120360 /nfs/dbraw/zinc/12/03/60/448120360.db2.gz UMXMYGYVYUJJEE-KBAYOESNSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571184414 448121829 /nfs/dbraw/zinc/12/18/29/448121829.db2.gz YFYSKNPDVKKYGC-MSOLQXFVSA-N 2 0 346.475 1.329 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C)CC1 ZINC000526967421 448127684 /nfs/dbraw/zinc/12/76/84/448127684.db2.gz NOQKLBFLQBLDHU-CQSZACIVSA-N 2 0 333.436 1.016 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC000526975134 448128819 /nfs/dbraw/zinc/12/88/19/448128819.db2.gz JMKVSFLJPWQTQY-CQSZACIVSA-N 2 0 347.463 1.405 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@]3(CCSC3)C2)CC1 ZINC000571400654 448146936 /nfs/dbraw/zinc/14/69/36/448146936.db2.gz TYQAEHOYFBXAGV-QGZVFWFLSA-N 2 0 327.538 1.610 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCO[C@H]2C(C)(C)C)CC1 ZINC000514856529 448214700 /nfs/dbraw/zinc/21/47/00/448214700.db2.gz MGAUMRGYJZHWEO-BRWVUGGUSA-N 2 0 327.513 1.026 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)C1 ZINC000515055629 448249519 /nfs/dbraw/zinc/24/95/19/448249519.db2.gz ZBTAIEBXUZEAPH-WMZOPIPTSA-N 2 0 349.475 1.706 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000572138646 448301269 /nfs/dbraw/zinc/30/12/69/448301269.db2.gz HEJWLIJRGIVSCE-WMZOPIPTSA-N 2 0 325.416 1.723 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000577473924 448304326 /nfs/dbraw/zinc/30/43/26/448304326.db2.gz BNAFETVWRUZMLE-NJAFHUGGSA-N 2 0 346.475 1.500 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000591409574 448354826 /nfs/dbraw/zinc/35/48/26/448354826.db2.gz UCDMTKWMGFITPQ-NJAFHUGGSA-N 2 0 346.475 1.452 20 0 EDADRP CN1CCN(C(=O)N[C@H]2CCSc3c(F)cccc32)[C@H](C[NH3+])C1 ZINC000577712007 448364633 /nfs/dbraw/zinc/36/46/33/448364633.db2.gz SOUMGYMRLWRYQL-RISCZKNCSA-N 2 0 338.452 1.647 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000515546540 448329110 /nfs/dbraw/zinc/32/91/10/448329110.db2.gz GUHIVRDURAJWFJ-UHFFFAOYSA-N 2 0 333.480 2.209 20 0 EDADRP CN1CCN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000572585176 448414289 /nfs/dbraw/zinc/41/42/89/448414289.db2.gz KCLVMOOWCKSOKF-ZWKOTPCHSA-N 2 0 345.491 1.108 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000566237074 448425075 /nfs/dbraw/zinc/42/50/75/448425075.db2.gz JYKBRWLMGJSLLQ-HUUCEWRRSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000516653806 448458166 /nfs/dbraw/zinc/45/81/66/448458166.db2.gz WPFREIDWHHXPFZ-LPHOPBHVSA-N 2 0 344.503 1.438 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000591701270 448460443 /nfs/dbraw/zinc/46/04/43/448460443.db2.gz MLRRZKWARCRHJL-MRXNPFEDSA-N 2 0 329.492 1.937 20 0 EDADRP N[C@H](C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cscn1 ZINC000578130175 448467929 /nfs/dbraw/zinc/46/79/29/448467929.db2.gz VIWLYFUNIMSUPQ-WBVHZDCISA-N 2 0 344.484 1.824 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+]1CCOC ZINC000584400520 448511723 /nfs/dbraw/zinc/51/17/23/448511723.db2.gz RQKLIJAUCRMZOT-UONOGXRCSA-N 2 0 348.438 1.126 20 0 EDADRP Cc1cccn2c(=O)cc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)nc12 ZINC000584411707 448518470 /nfs/dbraw/zinc/51/84/70/448518470.db2.gz PPXOWPLZDKLXJD-OAHLLOKOSA-N 2 0 342.443 1.190 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCc3cccc(Cn4ccnc4)c3)C[C@H]12 ZINC000517019105 448524022 /nfs/dbraw/zinc/52/40/22/448524022.db2.gz SOFATQJTNQLBQZ-FGTMMUONSA-N 2 0 339.443 1.810 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000517223737 448555165 /nfs/dbraw/zinc/55/51/65/448555165.db2.gz ISSYKIJYIKKBCK-MRXNPFEDSA-N 2 0 332.448 1.290 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](c2nccn2C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000566729380 448546031 /nfs/dbraw/zinc/54/60/31/448546031.db2.gz KHRGFKGIROALAV-FVQBIDKESA-N 2 0 349.479 1.358 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000584518312 448553854 /nfs/dbraw/zinc/55/38/54/448553854.db2.gz IRAQTACSRZARSQ-INIZCTEOSA-N 2 0 330.432 1.871 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1ccc([C@@H](C)[NH3+])cc1)[NH+]1CCN(C)CC1 ZINC000584717281 448606652 /nfs/dbraw/zinc/60/66/52/448606652.db2.gz PRTGGLHFVRXCQY-CRAIPNDOSA-N 2 0 332.492 1.708 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000566923767 448587319 /nfs/dbraw/zinc/58/73/19/448587319.db2.gz JZRJYPQICQTJAD-ZBFHGGJFSA-N 2 0 325.522 1.757 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000584664507 448592213 /nfs/dbraw/zinc/59/22/13/448592213.db2.gz HVMYRFLYEPCAMJ-KRWDZBQOSA-N 2 0 341.459 1.905 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000584816627 448640053 /nfs/dbraw/zinc/64/00/53/448640053.db2.gz WZKCQODJLZLCPO-ZWKOTPCHSA-N 2 0 343.471 1.945 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)cc1 ZINC000528681629 448628311 /nfs/dbraw/zinc/62/83/11/448628311.db2.gz PBEYSMPKQIQPNF-OAHLLOKOSA-N 2 0 336.436 1.127 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1 ZINC000517932223 448631358 /nfs/dbraw/zinc/63/13/58/448631358.db2.gz HVZSFUZNJLWJBH-UHFFFAOYSA-N 2 0 337.472 1.055 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cscn1 ZINC000578984583 448685391 /nfs/dbraw/zinc/68/53/91/448685391.db2.gz KUMTZZRNMPXZQT-CYBMUJFWSA-N 2 0 346.522 1.180 20 0 EDADRP C[C@H](NC(=O)CC[C@H]1CC[NH2+]C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000518527984 448688652 /nfs/dbraw/zinc/68/86/52/448688652.db2.gz NBZFCGSVDWZLJT-JENIJYKNSA-N 2 0 345.487 1.782 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccc(OC)nc2)C2CC2)CC1 ZINC000528845447 448694282 /nfs/dbraw/zinc/69/42/82/448694282.db2.gz FNICWCLMZPFDGR-LJQANCHMSA-N 2 0 346.475 1.731 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000519358798 448761924 /nfs/dbraw/zinc/76/19/24/448761924.db2.gz BFWBPYRINSDZOT-AEFFLSMTSA-N 2 0 346.475 1.965 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000519179003 448751332 /nfs/dbraw/zinc/75/13/32/448751332.db2.gz UGDQVRBRCGKHAQ-PBHICJAKSA-N 2 0 337.533 1.804 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000529288879 448809437 /nfs/dbraw/zinc/80/94/37/448809437.db2.gz NPCCZDUOOJXHNN-XHSDSOJGSA-N 2 0 326.485 1.125 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)cc1 ZINC000529291541 448810314 /nfs/dbraw/zinc/81/03/14/448810314.db2.gz YVHNTDWHVNSFJA-QGZVFWFLSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296973 448811912 /nfs/dbraw/zinc/81/19/12/448811912.db2.gz HAXVPCYKEASXFU-WBVHZDCISA-N 2 0 346.475 1.629 20 0 EDADRP [NH3+]C1(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C2CC3CC(C2)CC1C3 ZINC000574039057 448776007 /nfs/dbraw/zinc/77/60/07/448776007.db2.gz UPLXNBXPPWKAPF-WHFLBIIMSA-N 2 0 345.487 1.071 20 0 EDADRP [NH3+][C@H]1C[C@@H]2CN(Cc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000519548812 448784845 /nfs/dbraw/zinc/78/48/45/448784845.db2.gz JOCDZYZBEXBKBV-PWSUYJOCSA-N 2 0 329.322 1.171 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000519597039 448794511 /nfs/dbraw/zinc/79/45/11/448794511.db2.gz KUSNFMMYDJPNEK-MJGOQNOKSA-N 2 0 344.503 1.481 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC(C(=O)N2CCc3ccccc32)CC1 ZINC000568104091 448816883 /nfs/dbraw/zinc/81/68/83/448816883.db2.gz ZWFWGOCVPPBEBB-GOSISDBHSA-N 2 0 345.487 1.600 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C1 ZINC000519694033 448820357 /nfs/dbraw/zinc/82/03/57/448820357.db2.gz RHVHNZZDZKFPIY-OAHLLOKOSA-N 2 0 334.420 1.011 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](CC[C@H]3CCNC3=O)CC2)C[C@@H](C)O1 ZINC000568163646 448826144 /nfs/dbraw/zinc/82/61/44/448826144.db2.gz KNSJCJLTTPDADT-JFIYKMOQSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592450723 448844342 /nfs/dbraw/zinc/84/43/42/448844342.db2.gz WNJHOLJLCUIFMR-SWLSCSKDSA-N 2 0 343.431 1.158 20 0 EDADRP CC[C@H]1C[N@H+](CCC(=O)NC(=O)NCc2ccccc2)CC[C@H]1[NH3+] ZINC000592489687 448860644 /nfs/dbraw/zinc/86/06/44/448860644.db2.gz ZQNDKOKUDFLDTE-JKSUJKDBSA-N 2 0 332.448 1.462 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000574647787 448925039 /nfs/dbraw/zinc/92/50/39/448925039.db2.gz YSQRUDCRLSYXEF-LZLYRXPVSA-N 2 0 327.513 1.168 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C1 ZINC000574504371 448888361 /nfs/dbraw/zinc/88/83/61/448888361.db2.gz CXQUXPQAJDVKJU-YJBOKZPZSA-N 2 0 330.476 1.905 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000520372329 448889410 /nfs/dbraw/zinc/88/94/10/448889410.db2.gz KKFNPKFWUOMVBR-RBUKOAKNSA-N 2 0 342.487 1.846 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)c2ccnc(N3CCN(C)CC3)c2)cc1 ZINC000521442933 448987705 /nfs/dbraw/zinc/98/77/05/448987705.db2.gz XHTBBYSEYUIYBS-UHFFFAOYSA-N 2 0 339.443 1.805 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)CO1 ZINC000569236483 448988010 /nfs/dbraw/zinc/98/80/10/448988010.db2.gz QAUIQZVXTJUAFX-HCMIALLCSA-N 2 0 336.480 1.116 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[NH+]1CCCC1 ZINC000582050017 448997174 /nfs/dbraw/zinc/99/71/74/448997174.db2.gz NAXGWGBWDAHITL-GFCCVEGCSA-N 2 0 348.422 1.010 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCn3cccn3)CC2)C1 ZINC000582071123 449003998 /nfs/dbraw/zinc/00/39/98/449003998.db2.gz IEJJEPNEHBFMPM-MRXNPFEDSA-N 2 0 333.480 1.148 20 0 EDADRP CCc1ccccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548298860 449015911 /nfs/dbraw/zinc/01/59/11/449015911.db2.gz PFSUZZRLPRKRLE-UHFFFAOYSA-N 2 0 327.494 1.363 20 0 EDADRP CCCC(=O)Nc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000575050896 449022060 /nfs/dbraw/zinc/02/20/60/449022060.db2.gz DJXMSIQXSARGND-MRXNPFEDSA-N 2 0 347.463 1.210 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccnc2OC2CCCC2)CC1 ZINC000582355603 449072710 /nfs/dbraw/zinc/07/27/10/449072710.db2.gz REPJWYSELVNTEK-KRWDZBQOSA-N 2 0 348.491 1.101 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000592958490 449081383 /nfs/dbraw/zinc/08/13/83/449081383.db2.gz ZOPGPTAPLGZHRL-DLBZAZTESA-N 2 0 347.459 1.610 20 0 EDADRP Cc1cc(CNC(=O)Nc2cnc(N3CC[NH2+]CC3)nc2)cc(C)n1 ZINC000521993017 449036510 /nfs/dbraw/zinc/03/65/10/449036510.db2.gz PGWWOGBIPRXNTM-UHFFFAOYSA-N 2 0 341.419 1.220 20 0 EDADRP CS(=O)(=O)Nc1cccc(C[NH2+]CCCC[NH+]2CCOCC2)c1 ZINC000589641091 449043450 /nfs/dbraw/zinc/04/34/50/449043450.db2.gz DZDAWMRUQSGVSP-UHFFFAOYSA-N 2 0 341.477 1.260 20 0 EDADRP Cc1cccc(C)c1OCCC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000569595781 449053809 /nfs/dbraw/zinc/05/38/09/449053809.db2.gz VGPHHZHMIAMESU-SFHVURJKSA-N 2 0 335.492 1.270 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000604188306 449189502 /nfs/dbraw/zinc/18/95/02/449189502.db2.gz VEHQTLCNPYORQD-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000600188233 449233326 /nfs/dbraw/zinc/23/33/26/449233326.db2.gz APXYVQNRWPNHKV-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000595911982 449249055 /nfs/dbraw/zinc/24/90/55/449249055.db2.gz VVBOWTDASCQZMH-HNNXBMFYSA-N 2 0 349.479 1.340 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604638443 449265414 /nfs/dbraw/zinc/26/54/14/449265414.db2.gz IXUSERYRNURVST-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP CSC1(CNC(=O)C(C)(C)C[NH+]2CCOCC2)CC[NH+](C)CC1 ZINC000602151009 449386285 /nfs/dbraw/zinc/38/62/85/449386285.db2.gz FSMKHSLDMBWCQL-UHFFFAOYSA-N 2 0 343.537 1.288 20 0 EDADRP CSC1(CNC(=O)[C@@H]2CCN2C2CCCC2)CC[NH+](C)CC1 ZINC000602152603 449387795 /nfs/dbraw/zinc/38/77/95/449387795.db2.gz PRHFBSFVWMDKJR-HNNXBMFYSA-N 2 0 325.522 1.947 20 0 EDADRP CSC1(C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC[NH+](C)CC1 ZINC000594522653 449561279 /nfs/dbraw/zinc/56/12/79/449561279.db2.gz MYOVLORSOGVRQH-INIZCTEOSA-N 2 0 327.538 1.657 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](COC)C2CCOCC2)CC[NH2+]CC1 ZINC000596651370 449587535 /nfs/dbraw/zinc/58/75/35/449587535.db2.gz OXNFQWSWLVEYAM-GDBMZVCRSA-N 2 0 342.480 1.339 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000602469389 449615298 /nfs/dbraw/zinc/61/52/98/449615298.db2.gz UVBPSYSYPLBWGP-QHCPKHFHSA-N 2 0 343.537 1.115 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000594694456 449628521 /nfs/dbraw/zinc/62/85/21/449628521.db2.gz JSIXSYBCEZOINQ-MOPGFXCFSA-N 2 0 342.487 1.894 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1CC[NH+](CCO)CC1)C1CCCCC1 ZINC000601244284 449771106 /nfs/dbraw/zinc/77/11/06/449771106.db2.gz MANJJRZRRWOPDV-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786656 449808168 /nfs/dbraw/zinc/80/81/68/449808168.db2.gz SKIZDRLTOZFUGF-QZTJIDSGSA-N 2 0 334.508 1.240 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000594928896 449811876 /nfs/dbraw/zinc/81/18/76/449811876.db2.gz WIXKNECHFNELLM-OWYHZJEWSA-N 2 0 345.487 1.762 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000594942605 449814463 /nfs/dbraw/zinc/81/44/63/449814463.db2.gz KEMMAIZUJVQHRL-BNEJOLLZSA-N 2 0 332.444 1.540 20 0 EDADRP C[C@H](CCNC(=O)C1(C(=O)NCC[C@@H](C)[NH+](C)C)CCC1)[NH+](C)C ZINC000617755251 449818450 /nfs/dbraw/zinc/81/84/50/449818450.db2.gz JZLDISSFIVDRFI-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000608361789 449819443 /nfs/dbraw/zinc/81/94/43/449819443.db2.gz QRRADVCRXJXRAO-SJORKVTESA-N 2 0 341.496 1.007 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000608479647 449851737 /nfs/dbraw/zinc/85/17/37/449851737.db2.gz OOUSZBAMKWYTBL-HKUYNNGSSA-N 2 0 333.476 1.326 20 0 EDADRP CN1CCN(C(=O)NC[C@]2(c3ccccc3)CC2(C)C)[C@@H](C[NH3+])C1 ZINC000612939891 449948579 /nfs/dbraw/zinc/94/85/79/449948579.db2.gz DMPNNKTVZFWBLC-LPHOPBHVSA-N 2 0 330.476 1.639 20 0 EDADRP CCOC(=O)C[C@H](O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000599347046 449910594 /nfs/dbraw/zinc/91/05/94/449910594.db2.gz QQOQHSUJHMQDNA-SFHVURJKSA-N 2 0 349.475 1.934 20 0 EDADRP C[C@]1(NC(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]C1 ZINC000612864543 449916616 /nfs/dbraw/zinc/91/66/16/449916616.db2.gz DROYHTLOCUBGFV-IBGZPJMESA-N 2 0 330.476 1.745 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000612967428 449962904 /nfs/dbraw/zinc/96/29/04/449962904.db2.gz LHQVXSSVVIJKHQ-QGZVFWFLSA-N 2 0 343.475 1.487 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000612996194 449978013 /nfs/dbraw/zinc/97/80/13/449978013.db2.gz OXQONPUOWJNHQC-ZACQAIPSSA-N 2 0 328.460 1.573 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)c1 ZINC000618551867 450240310 /nfs/dbraw/zinc/24/03/10/450240310.db2.gz NGVUQVHSANPWKQ-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP CC[C@@H](C(=O)N[C@@H]1CCCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000616783549 450483962 /nfs/dbraw/zinc/48/39/62/450483962.db2.gz DEKJEZUWPCLMGN-FZKCQIBNSA-N 2 0 340.512 1.210 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000625976035 450547001 /nfs/dbraw/zinc/54/70/01/450547001.db2.gz LTYFWNSQXRIYPR-CDSLXBQBSA-N 2 0 333.476 1.807 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000627363053 450676729 /nfs/dbraw/zinc/67/67/29/450676729.db2.gz DQBPWULAPHSBCD-HRCADAONSA-N 2 0 338.496 1.014 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000633074212 450659236 /nfs/dbraw/zinc/65/92/36/450659236.db2.gz MRKWQMVFPACREU-GOSISDBHSA-N 2 0 330.476 1.963 20 0 EDADRP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCC[C@H]4[C@@H]4CCC[NH2+]4)C3)nn12 ZINC000629523956 450725236 /nfs/dbraw/zinc/72/52/36/450725236.db2.gz OPDHXBRDXHBSON-YHUYYLMFSA-N 2 0 341.463 1.213 20 0 EDADRP C[NH+](C)[C@@H](CNC[C@H](O)C[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000629566443 450739170 /nfs/dbraw/zinc/73/91/70/450739170.db2.gz SMUATHHCFRWRBQ-IRXDYDNUSA-N 2 0 325.884 1.989 20 0 EDADRP O=C(CC[N@@H+]1CCc2cc(C(F)(F)F)ccc2C1)N1CC[NH2+]CC1 ZINC000629581117 450747409 /nfs/dbraw/zinc/74/74/09/450747409.db2.gz NPLAQPWABOBCDK-UHFFFAOYSA-N 2 0 341.377 1.885 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC2CN(c3ccncn3)C2)[C@@H](C)C1 ZINC000631746065 450747887 /nfs/dbraw/zinc/74/78/87/450747887.db2.gz BDHDVCZXDYSYQD-DOTOQJQBSA-N 2 0 333.480 1.392 20 0 EDADRP COC1(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)CCCC1 ZINC000629647826 450770530 /nfs/dbraw/zinc/77/05/30/450770530.db2.gz BIIIWTDEHGVGMP-HOTGVXAUSA-N 2 0 336.480 1.166 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(Cc2ccncc2)CCO1)C1CC[NH+](C)CC1 ZINC000624265872 450771139 /nfs/dbraw/zinc/77/11/39/450771139.db2.gz ARSFCECHFUOVHN-QFBILLFUSA-N 2 0 332.492 1.602 20 0 EDADRP COc1ccc([C@H]2CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)cc1F ZINC000629672472 450777390 /nfs/dbraw/zinc/77/73/90/450777390.db2.gz OOUJJFPZZGKMOX-ZBFHGGJFSA-N 2 0 349.450 1.821 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000621668400 450824715 /nfs/dbraw/zinc/82/47/15/450824715.db2.gz DOBUXUUJAXJNCH-QFBILLFUSA-N 2 0 345.487 1.649 20 0 EDADRP C[C@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[NH+]1CCC(C)CC1 ZINC000631813807 450792685 /nfs/dbraw/zinc/79/26/85/450792685.db2.gz ZMXZMIICCRUFSH-MRXNPFEDSA-N 2 0 331.526 1.512 20 0 EDADRP O[C@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624335802 450798695 /nfs/dbraw/zinc/79/86/95/450798695.db2.gz AJSWOAAFZSAVKX-UWHLTILDSA-N 2 0 343.515 1.943 20 0 EDADRP C[C@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+](C)C ZINC000635353640 450876052 /nfs/dbraw/zinc/87/60/52/450876052.db2.gz IMZAWWLOFCLKCT-CYBMUJFWSA-N 2 0 332.448 1.273 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(S(=O)(=O)CCC[NH+]1CCCC1)CCO2 ZINC000631957863 450915392 /nfs/dbraw/zinc/91/53/92/450915392.db2.gz BOCPEDYWINZCCP-UHFFFAOYSA-N 2 0 339.461 1.160 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000631971391 450929205 /nfs/dbraw/zinc/92/92/05/450929205.db2.gz QKJLMBCOTQQDQN-KRWDZBQOSA-N 2 0 339.505 1.522 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635425524 450930855 /nfs/dbraw/zinc/93/08/55/450930855.db2.gz NCEFEVSGFKCXBZ-UHFFFAOYSA-N 2 0 339.524 1.924 20 0 EDADRP C[C@@](O)(C[C@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CC1 ZINC000630043808 450977394 /nfs/dbraw/zinc/97/73/94/450977394.db2.gz YFLQDJMCNRDHCD-PKOBYXMFSA-N 2 0 340.508 1.475 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)[C@@H]1COC(C)(C)C1 ZINC000624789343 451001033 /nfs/dbraw/zinc/00/10/33/451001033.db2.gz DJHUZWCHAPHDIX-HNNXBMFYSA-N 2 0 349.541 1.089 20 0 EDADRP C[N@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)Cc1ccccc1 ZINC000626925686 451008842 /nfs/dbraw/zinc/00/88/42/451008842.db2.gz PIIBIPZFEMUWPW-UHFFFAOYSA-N 2 0 334.464 1.316 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[NH+]1CCCC1 ZINC000626930234 451012783 /nfs/dbraw/zinc/01/27/83/451012783.db2.gz ZBPBEGTZZXFXJB-MRXNPFEDSA-N 2 0 340.512 1.694 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccsc1 ZINC000626934551 451016216 /nfs/dbraw/zinc/01/62/16/451016216.db2.gz IBDKLRFVOJWDML-CYBMUJFWSA-N 2 0 326.466 1.158 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCOCC1 ZINC000626934556 451016410 /nfs/dbraw/zinc/01/64/10/451016410.db2.gz IEZFYHHGJDLBQG-KRWDZBQOSA-N 2 0 346.475 1.631 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000626935431 451017493 /nfs/dbraw/zinc/01/74/93/451017493.db2.gz HQEZXJWWQFODOT-FUHWJXTLSA-N 2 0 345.491 1.248 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635525495 451023445 /nfs/dbraw/zinc/02/34/45/451023445.db2.gz IEXDSBMPPKGACV-FGTMMUONSA-N 2 0 328.460 1.969 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000626970548 451042296 /nfs/dbraw/zinc/04/22/96/451042296.db2.gz PBDCIYITEFQXHG-KBXCAEBGSA-N 2 0 346.475 1.193 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635558622 451056299 /nfs/dbraw/zinc/05/62/99/451056299.db2.gz BMILORQXCHVSST-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000626993317 451058388 /nfs/dbraw/zinc/05/83/88/451058388.db2.gz FHBOQQAABPVGCO-SJLPKXTDSA-N 2 0 348.491 1.562 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000626994797 451060877 /nfs/dbraw/zinc/06/08/77/451060877.db2.gz KBGDJJOUOQKAOX-FUHWJXTLSA-N 2 0 348.491 1.575 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000626996864 451062545 /nfs/dbraw/zinc/06/25/45/451062545.db2.gz HGIVZZXXKBGCAU-NMKXLXIOSA-N 2 0 348.413 1.780 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000626999070 451064104 /nfs/dbraw/zinc/06/41/04/451064104.db2.gz WFGMJIILLDHFNS-DOTOQJQBSA-N 2 0 346.475 1.457 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627000152 451065764 /nfs/dbraw/zinc/06/57/64/451065764.db2.gz KLKQFRZSTGXICG-YQQAZPJKSA-N 2 0 330.476 1.804 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC1 ZINC000627018578 451082960 /nfs/dbraw/zinc/08/29/60/451082960.db2.gz YXGMFWDRFSIJPH-VXGBXAGGSA-N 2 0 336.402 1.639 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034432 451093238 /nfs/dbraw/zinc/09/32/38/451093238.db2.gz GOVWGIHYDHXFMI-UONOGXRCSA-N 2 0 338.452 1.516 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000626979231 451046820 /nfs/dbraw/zinc/04/68/20/451046820.db2.gz UMJIYXFGGHZHSG-KRWDZBQOSA-N 2 0 346.475 1.458 20 0 EDADRP [NH3+]CCCOCCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000627083115 451115689 /nfs/dbraw/zinc/11/56/89/451115689.db2.gz PRRUYRDHBAMEMI-QGZVFWFLSA-N 2 0 330.432 1.504 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)CCC[NH3+])CC1 ZINC000627096051 451122205 /nfs/dbraw/zinc/12/22/05/451122205.db2.gz PLJNFUYZWNHBJY-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC[C@@H]1C(F)(F)F ZINC000627105405 451125107 /nfs/dbraw/zinc/12/51/07/451125107.db2.gz HXSTTZJLAMFWOY-ITGHMWBKSA-N 2 0 348.413 1.543 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627133558 451142681 /nfs/dbraw/zinc/14/26/81/451142681.db2.gz JUOSSPXCZJJTHK-INIZCTEOSA-N 2 0 331.464 1.439 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCN(Cc3ccccc3)CC2)CCOCC1 ZINC000627147903 451147215 /nfs/dbraw/zinc/14/72/15/451147215.db2.gz OKDUJPJLHFQTED-UHFFFAOYSA-N 2 0 332.448 1.022 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000622564994 451169971 /nfs/dbraw/zinc/16/99/71/451169971.db2.gz XVYPCEZXVDGPAH-OAHLLOKOSA-N 2 0 346.475 1.469 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000635745279 451215688 /nfs/dbraw/zinc/21/56/88/451215688.db2.gz VARRLOYXKVJCQT-HNNXBMFYSA-N 2 0 331.460 1.924 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638087541 451252304 /nfs/dbraw/zinc/25/23/04/451252304.db2.gz STKRYYBRYMJWSU-FNHZYXHNSA-N 2 0 331.460 1.316 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000638090416 451256141 /nfs/dbraw/zinc/25/61/41/451256141.db2.gz WUWRSQWOQAJSEG-FUHWJXTLSA-N 2 0 349.500 1.941 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000638102356 451268837 /nfs/dbraw/zinc/26/88/37/451268837.db2.gz UCRKJNFRWXUTPO-HNNXBMFYSA-N 2 0 331.464 1.664 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638118191 451287207 /nfs/dbraw/zinc/28/72/07/451287207.db2.gz QOROXMICMHJFIF-MJGOQNOKSA-N 2 0 331.460 1.523 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)CN2CC[NH2+]CC2)[C@H]1c1cccs1 ZINC000638121386 451290092 /nfs/dbraw/zinc/29/00/92/451290092.db2.gz FMYOYOIWSIGKCE-PBHICJAKSA-N 2 0 336.505 1.152 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NCC[NH+]1CC[C@@H](O)C1 ZINC000636562750 451305581 /nfs/dbraw/zinc/30/55/81/451305581.db2.gz CJLQEYXXOASMFF-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC000635839311 451287872 /nfs/dbraw/zinc/28/78/72/451287872.db2.gz FQAQHYCOOPLYAW-AZUAARDMSA-N 2 0 345.487 1.424 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253119 451383364 /nfs/dbraw/zinc/38/33/64/451383364.db2.gz YUQHMTMSRGWVGI-JKSUJKDBSA-N 2 0 333.480 1.297 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638274303 451393620 /nfs/dbraw/zinc/39/36/20/451393620.db2.gz HFHJZDPWELPGQV-UHFFFAOYSA-N 2 0 327.432 1.659 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638273963 451393814 /nfs/dbraw/zinc/39/38/14/451393814.db2.gz DUDIXYJNXYUTFA-CTWPCTMYSA-N 2 0 346.519 1.682 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367792 451464953 /nfs/dbraw/zinc/46/49/53/451464953.db2.gz HLTFAFNTDLQNKK-IRXDYDNUSA-N 2 0 330.476 1.237 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@@H](O)C[C@@](C)(O)C3CC3)CC2)CC1 ZINC000634700553 451473952 /nfs/dbraw/zinc/47/39/52/451473952.db2.gz BKCFJVMKGHPGKZ-RBUKOAKNSA-N 2 0 339.524 1.047 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC000638386933 451479271 /nfs/dbraw/zinc/47/92/71/451479271.db2.gz SZXQJFBLQQBJEZ-BBWFWOEESA-N 2 0 335.492 1.607 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000638404096 451492451 /nfs/dbraw/zinc/49/24/51/451492451.db2.gz ZFMYKMYSSXBNKD-PKOBYXMFSA-N 2 0 345.487 1.803 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000638339398 451442639 /nfs/dbraw/zinc/44/26/39/451442639.db2.gz GKZPNCUBKSECMY-IAGOWNOFSA-N 2 0 335.492 1.607 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)[C@@H]1CCC[NH3+] ZINC000638423165 451507335 /nfs/dbraw/zinc/50/73/35/451507335.db2.gz PXEAKJCHANSLOS-BHIYHBOVSA-N 2 0 346.519 1.812 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000640758938 451557443 /nfs/dbraw/zinc/55/74/43/451557443.db2.gz KOWXTCDVNXSLCI-SFHVURJKSA-N 2 0 328.460 1.822 20 0 EDADRP Cc1nc2ccccc2nc1C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000638551531 451573282 /nfs/dbraw/zinc/57/32/82/451573282.db2.gz LRJVTEMJFIFMFZ-HNNXBMFYSA-N 2 0 327.476 1.911 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638570739 451582751 /nfs/dbraw/zinc/58/27/51/451582751.db2.gz GTWLHERPVDDBIA-ROUUACIJSA-N 2 0 344.503 1.690 20 0 EDADRP CC(=O)Nc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000631101588 451584890 /nfs/dbraw/zinc/58/48/90/451584890.db2.gz IQUVUOHFYHRBME-SFHVURJKSA-N 2 0 348.491 1.827 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000638591389 451594010 /nfs/dbraw/zinc/59/40/10/451594010.db2.gz HKCMJDYPXFKEGV-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631130670 451599911 /nfs/dbraw/zinc/59/99/11/451599911.db2.gz MTHMTAMLYAEVQV-UHFFFAOYSA-N 2 0 344.463 1.044 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638565290 451579524 /nfs/dbraw/zinc/57/95/24/451579524.db2.gz RWWTWKJNHYUVBH-UHFFFAOYSA-N 2 0 342.434 1.607 20 0 EDADRP CC1(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000629172262 451579961 /nfs/dbraw/zinc/57/99/61/451579961.db2.gz WTWWPJLVOLNZIW-GOSISDBHSA-N 2 0 345.487 1.472 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[NH2+]1 ZINC000638638786 451625108 /nfs/dbraw/zinc/62/51/08/451625108.db2.gz GENADHIIDGRSER-NXEZZACHSA-N 2 0 342.394 1.011 20 0 EDADRP COc1ncc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)s1 ZINC000638678362 451647270 /nfs/dbraw/zinc/64/72/70/451647270.db2.gz NCMHAHQLTMJVHE-KRWDZBQOSA-N 2 0 333.457 1.878 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])CC1)CCC2 ZINC000635004545 451648635 /nfs/dbraw/zinc/64/86/35/451648635.db2.gz IYEVXPHVHFSJFZ-SUYBPPKGSA-N 2 0 337.489 1.819 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(C(=O)Cc1cccc3c1CC[NH2+]C3)CCO2 ZINC000638808182 451697402 /nfs/dbraw/zinc/69/74/02/451697402.db2.gz VKHLMKYBDJBBNW-UHFFFAOYSA-N 2 0 337.423 1.759 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)c2nnn([C@@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638814568 451699034 /nfs/dbraw/zinc/69/90/34/451699034.db2.gz DWGUUZFJVRHGTK-GHMZBOCLSA-N 2 0 342.394 1.094 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H](C)C[C@H]1CCCC(=O)N1)C(=O)NCC[NH+](C)C ZINC000638818777 451700588 /nfs/dbraw/zinc/70/05/88/451700588.db2.gz SZPYHKCNMFQJAF-OAGGEKHMSA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638849718 451709541 /nfs/dbraw/zinc/70/95/41/451709541.db2.gz DZWOMWKJFNPJBX-HHXXYDBFSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000632961051 451670123 /nfs/dbraw/zinc/67/01/23/451670123.db2.gz NODMKRMERLGNPK-UONOGXRCSA-N 2 0 334.468 1.741 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3C[C@@H]4CCC[C@]4(C[NH3+])C3)cn2)CC1 ZINC000632961479 451670527 /nfs/dbraw/zinc/67/05/27/451670527.db2.gz RKCAEQIDXYASCL-KSSFIOAISA-N 2 0 346.479 1.743 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC(CC)([NH+](C)C)CC2)C1(C)C ZINC000638976112 451744412 /nfs/dbraw/zinc/74/44/12/451744412.db2.gz UCCANMACRCPBHB-RDTXWAMCSA-N 2 0 325.497 1.852 20 0 EDADRP CO[C@@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C(F)(F)F ZINC000638986281 451747373 /nfs/dbraw/zinc/74/73/73/451747373.db2.gz ZJJGKQVNZSSYDM-NSHDSACASA-N 2 0 332.326 1.397 20 0 EDADRP C[C@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988453 451747885 /nfs/dbraw/zinc/74/78/85/451747885.db2.gz YQZPUANTNPVPEZ-HOCLYGCPSA-N 2 0 348.447 1.404 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H](C[NH3+])Cc3ccccc32)c1 ZINC000639020942 451752895 /nfs/dbraw/zinc/75/28/95/451752895.db2.gz BYWHSFMYJMRERO-YJBOKZPZSA-N 2 0 339.439 1.729 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637207525 451756287 /nfs/dbraw/zinc/75/62/87/451756287.db2.gz YZOVHVYBXYWXBW-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H](OC)[C@H]1CCOC1 ZINC000639170835 451784252 /nfs/dbraw/zinc/78/42/52/451784252.db2.gz HZYUJRZRGYSISA-KSZLIROESA-N 2 0 327.513 1.386 20 0 EDADRP O[C@@]1(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641230789 451791811 /nfs/dbraw/zinc/79/18/11/451791811.db2.gz UITJSOMPKWTZHB-HKUYNNGSSA-N 2 0 341.459 1.067 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)o1 ZINC000639334993 451832272 /nfs/dbraw/zinc/83/22/72/451832272.db2.gz LDCIMAQNVSFTDX-UHFFFAOYSA-N 2 0 327.450 1.139 20 0 EDADRP C[C@H](CNc1ncnc2sc(NC[C@H](C)[NH+](C)C)nc21)[NH+](C)C ZINC000641313263 451836583 /nfs/dbraw/zinc/83/65/83/451836583.db2.gz MSLNGPDPBRLKNN-MNOVXSKESA-N 2 0 337.497 1.810 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)COCc3ccccc3)C2)CC1 ZINC000644562129 451863174 /nfs/dbraw/zinc/86/31/74/451863174.db2.gz XGGLXZDYUXYZIQ-UYAOXDASSA-N 2 0 347.503 1.322 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)COc3ccccc3)C2)CC1 ZINC000644561708 451863327 /nfs/dbraw/zinc/86/33/27/451863327.db2.gz FIHMLPBRBSIGNJ-WMZOPIPTSA-N 2 0 333.476 1.184 20 0 EDADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644562015 451863491 /nfs/dbraw/zinc/86/34/91/451863491.db2.gz NZXAFSVMUQNVFT-KPFFTGBYSA-N 2 0 331.504 1.909 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000644563069 451864612 /nfs/dbraw/zinc/86/46/12/451864612.db2.gz LAGPLQGIRXROPJ-MAUKXSAKSA-N 2 0 336.476 1.893 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000639452532 451874913 /nfs/dbraw/zinc/87/49/13/451874913.db2.gz DLZUMLTZZCWGDY-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP CO[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1Cl ZINC000644599014 451886525 /nfs/dbraw/zinc/88/65/25/451886525.db2.gz PUDSOEPKCBISJI-PBHICJAKSA-N 2 0 341.883 1.225 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(C)([NH3+])CC1 ZINC000642645009 451905420 /nfs/dbraw/zinc/90/54/20/451905420.db2.gz AHJATPHZWPEEOY-OAHLLOKOSA-N 2 0 338.496 1.097 20 0 EDADRP O=C([C@@H]1CCc2cncn2C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000649209204 451905872 /nfs/dbraw/zinc/90/58/72/451905872.db2.gz GVZFAFJJJWSECD-NVXWUHKLSA-N 2 0 332.448 1.159 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)[C@@H]2C1 ZINC000646926126 451942323 /nfs/dbraw/zinc/94/23/23/451942323.db2.gz YVUZDXULCHZMHZ-OKZBNKHCSA-N 2 0 328.460 1.456 20 0 EDADRP C[N@@H+]1CC[C@@](N)(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000649281578 451954422 /nfs/dbraw/zinc/95/44/22/451954422.db2.gz UKEBNSRESMOIIR-IBGZPJMESA-N 2 0 330.476 1.322 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649287436 451961178 /nfs/dbraw/zinc/96/11/78/451961178.db2.gz GAEYGOIJWQSRNL-IBGZPJMESA-N 2 0 330.476 1.062 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@]2(N)CC[N@H+](C)C2)cc1 ZINC000649290797 451965762 /nfs/dbraw/zinc/96/57/62/451965762.db2.gz SZFRORKFKCZGFY-LJQANCHMSA-N 2 0 348.491 1.056 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000649292537 451967608 /nfs/dbraw/zinc/96/76/08/451967608.db2.gz OHWGZUHMFCZGGM-WMZOPIPTSA-N 2 0 325.497 1.628 20 0 EDADRP COCCC1(C(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000649293964 451968774 /nfs/dbraw/zinc/96/87/74/451968774.db2.gz UNWDRWSCUPJMKF-IRXDYDNUSA-N 2 0 339.524 1.877 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)c1ccsc1 ZINC000649293255 451969359 /nfs/dbraw/zinc/96/93/59/451969359.db2.gz JSYRSGKIOWHBGR-INIZCTEOSA-N 2 0 329.469 1.963 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000649295391 451970421 /nfs/dbraw/zinc/97/04/21/451970421.db2.gz GUVMMHDKRNJUSM-MRXNPFEDSA-N 2 0 342.447 1.907 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CCC[NH2+]1 ZINC000649307424 451984681 /nfs/dbraw/zinc/98/46/81/451984681.db2.gz OKWWMARVAQJFRV-SUMDDJOVSA-N 2 0 331.460 1.707 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000649324774 452004767 /nfs/dbraw/zinc/00/47/67/452004767.db2.gz YERPFVCDRXIOTA-UHFFFAOYSA-N 2 0 347.422 1.949 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)[C@@H]1c1cccs1 ZINC000649340982 452021586 /nfs/dbraw/zinc/02/15/86/452021586.db2.gz FHXHIPYPGWFRTK-IIAWOOMASA-N 2 0 337.489 1.483 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682102 452021822 /nfs/dbraw/zinc/02/18/22/452021822.db2.gz KSCGGKVSOMKHRW-ROUUACIJSA-N 2 0 335.448 1.150 20 0 EDADRP C[NH+](Cc1cncc(C[N@H+](C)C[C@H](O)C2CC2)c1)C[C@@H](O)C1CC1 ZINC000649342544 452023550 /nfs/dbraw/zinc/02/35/50/452023550.db2.gz WQMFYRVGEVLTKB-KDURUIRLSA-N 2 0 333.476 1.487 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649353566 452036553 /nfs/dbraw/zinc/03/65/53/452036553.db2.gz JWQCJRHOCJOXGT-XYPHTWIQSA-N 2 0 344.459 1.526 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[NH2+]C4(CCC4)C3)ccn2)CC1 ZINC000649370691 452047455 /nfs/dbraw/zinc/04/74/55/452047455.db2.gz VEZRTBSXNDHFJH-INIZCTEOSA-N 2 0 343.475 1.238 20 0 EDADRP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417784 452079277 /nfs/dbraw/zinc/07/92/77/452079277.db2.gz GZVRWKKOUYCIOE-DLBZAZTESA-N 2 0 333.480 1.090 20 0 EDADRP C[NH2+]CCCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637806193 452092598 /nfs/dbraw/zinc/09/25/98/452092598.db2.gz QFWSJCMKYUAETF-MJGOQNOKSA-N 2 0 331.460 1.251 20 0 EDADRP Cc1cc(N2CC[C@@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)n(C)n1 ZINC000639758663 452097903 /nfs/dbraw/zinc/09/79/03/452097903.db2.gz XCQPQCNZIYDWGM-OAHLLOKOSA-N 2 0 331.464 1.252 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000637825771 452103550 /nfs/dbraw/zinc/10/35/50/452103550.db2.gz YGPTUOJUOSAYRB-CQSZACIVSA-N 2 0 345.447 1.128 20 0 EDADRP Cc1nc(N2CC[C@H](C[NH+](C)C)C2)cc(N2CC[C@H](C[NH+](C)C)C2)[nH+]1 ZINC000645040480 452129990 /nfs/dbraw/zinc/12/99/90/452129990.db2.gz WWMKWQJQMFNJAU-IAGOWNOFSA-N 3 0 346.523 1.561 20 0 EDADRP Nc1nc(N2CCC(OCC[NH+]3CCCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645183672 452199485 /nfs/dbraw/zinc/19/94/85/452199485.db2.gz MZALTSDZXRWHHV-UHFFFAOYSA-N 2 0 345.491 2.019 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)n1 ZINC000654005949 452200502 /nfs/dbraw/zinc/20/05/02/452200502.db2.gz BMHOXXVCGNNJPP-LSDHHAIUSA-N 2 0 334.468 1.583 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645221431 452216789 /nfs/dbraw/zinc/21/67/89/452216789.db2.gz MFUUDNBROFFBNA-SFHVURJKSA-N 2 0 349.438 1.782 20 0 EDADRP Cc1[nH+]ccc(N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)c1Cl ZINC000641719870 452217685 /nfs/dbraw/zinc/21/76/85/452217685.db2.gz ZCALZZKATSCSDN-OAHLLOKOSA-N 2 0 338.883 1.674 20 0 EDADRP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647493353 452236688 /nfs/dbraw/zinc/23/66/88/452236688.db2.gz HSMJCAIMGFHJPM-UHFFFAOYSA-N 2 0 341.503 1.885 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641770896 452243864 /nfs/dbraw/zinc/24/38/64/452243864.db2.gz NJGBSIYTXPJXHT-QGZVFWFLSA-N 2 0 332.492 1.895 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000641779435 452249956 /nfs/dbraw/zinc/24/99/56/452249956.db2.gz HDOOVYVMZAMSJI-WMZOPIPTSA-N 2 0 328.460 1.753 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000643488903 452257788 /nfs/dbraw/zinc/25/77/88/452257788.db2.gz KVNMTGJDJXAUIG-LTIDMASMSA-N 2 0 343.537 1.701 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000659426711 452269568 /nfs/dbraw/zinc/26/95/68/452269568.db2.gz BBJFXEFNOHNLBH-UHFFFAOYSA-N 2 0 347.507 1.183 20 0 EDADRP c1ccc(CN2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549578 452276616 /nfs/dbraw/zinc/27/66/16/452276616.db2.gz IPGCJGOWPQTJCB-DFQSSKMNSA-N 2 0 329.488 1.997 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000659434032 452279687 /nfs/dbraw/zinc/27/96/87/452279687.db2.gz IKUILQONGPUBQI-KZNAEPCWSA-N 2 0 348.466 1.904 20 0 EDADRP C[C@H](CNC(=O)c1ccc2c(c1)CC[NH2+]CC2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488049 452284475 /nfs/dbraw/zinc/28/44/75/452284475.db2.gz RREZEWMWZOODHA-OAGGEKHMSA-N 2 0 345.487 1.602 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000659458135 452311300 /nfs/dbraw/zinc/31/13/00/452311300.db2.gz PKXVKTXZTFGFSV-ROUUACIJSA-N 2 0 334.508 1.892 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000661508017 452312891 /nfs/dbraw/zinc/31/28/91/452312891.db2.gz MAOBCFYJKAPJJB-GJZGRUSLSA-N 2 0 340.512 1.346 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000638049006 452318049 /nfs/dbraw/zinc/31/80/49/452318049.db2.gz RKMHGXSKJQFMCG-RBUKOAKNSA-N 2 0 341.455 1.984 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000647594588 452331047 /nfs/dbraw/zinc/33/10/47/452331047.db2.gz UZFRHMUNOIKEQU-GJZGRUSLSA-N 2 0 346.475 1.141 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652145033 452338332 /nfs/dbraw/zinc/33/83/32/452338332.db2.gz ASEPSXTUAFBVLB-LUKYLMHMSA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645362660 452339171 /nfs/dbraw/zinc/33/91/71/452339171.db2.gz MWYRHAFAPFNXNC-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652159199 452353554 /nfs/dbraw/zinc/35/35/54/452353554.db2.gz SYFFKHJUCPFQIH-UHFFFAOYSA-N 2 0 326.416 1.052 20 0 EDADRP CC(C)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)[NH+]1CCC(C)CC1 ZINC000663619525 452353689 /nfs/dbraw/zinc/35/36/89/452353689.db2.gz ITHWMKLLWLVJAO-ULQDDVLXSA-N 2 0 340.512 1.059 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638062556 452356908 /nfs/dbraw/zinc/35/69/08/452356908.db2.gz GKEGUQROZSLIHU-MRXNPFEDSA-N 2 0 330.476 1.762 20 0 EDADRP COCCN1CC[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657595201 452362740 /nfs/dbraw/zinc/36/27/40/452362740.db2.gz FVHGWLKMCUJRDV-RBUKOAKNSA-N 2 0 333.476 1.064 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)cn1 ZINC000638069378 452374694 /nfs/dbraw/zinc/37/46/94/452374694.db2.gz JPNLUDLADYEEGC-MRXNPFEDSA-N 2 0 325.416 1.502 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@]2([NH+](C)C)CCSC2)c1 ZINC000638068181 452375038 /nfs/dbraw/zinc/37/50/38/452375038.db2.gz HJXUPXJVQOPOQL-RDJZCZTQSA-N 2 0 337.489 1.119 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCO1 ZINC000659523967 452387204 /nfs/dbraw/zinc/38/72/04/452387204.db2.gz RIXAKBHLCBRDME-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP COc1cc(CN(C)CC(=O)N2CCN(C)CC2)ccc1Cl ZINC000640051583 452393572 /nfs/dbraw/zinc/39/35/72/452393572.db2.gz QYFYEQRADGCRID-UHFFFAOYSA-N 2 0 325.840 1.554 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)N[C@@H]1CCC[NH2+]CC1 ZINC000659535852 452396738 /nfs/dbraw/zinc/39/67/38/452396738.db2.gz LGJGJSCBZQILNH-MSOLQXFVSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659538114 452397511 /nfs/dbraw/zinc/39/75/11/452397511.db2.gz VTCHOWRLBAFFOK-ZTFGCOKTSA-N 2 0 346.475 1.050 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654347333 452398664 /nfs/dbraw/zinc/39/86/64/452398664.db2.gz ZBDZZBAFLHNXLT-OAGGEKHMSA-N 2 0 328.501 1.515 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659553192 452409174 /nfs/dbraw/zinc/40/91/74/452409174.db2.gz HOZIIYXBKACNCE-WBQNTZJQSA-N 2 0 334.439 1.698 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCO1 ZINC000659557636 452414825 /nfs/dbraw/zinc/41/48/25/452414825.db2.gz UBLIUTLFORUHMU-QBPKDAKJSA-N 2 0 338.496 1.127 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576210 452430254 /nfs/dbraw/zinc/43/02/54/452430254.db2.gz GBFWCFGVJKBSFG-RCCFBDPRSA-N 2 0 330.476 1.868 20 0 EDADRP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C[C@@H]1C[NH3+] ZINC000659577382 452431720 /nfs/dbraw/zinc/43/17/20/452431720.db2.gz RNVJPADBNCCMIN-DZJNRPSUSA-N 2 0 330.476 1.758 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1COc2ccccc2C1 ZINC000663714153 452450456 /nfs/dbraw/zinc/45/04/56/452450456.db2.gz OMMRJRYQIVFFTQ-MRXNPFEDSA-N 2 0 334.464 1.173 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645509481 452477107 /nfs/dbraw/zinc/47/71/07/452477107.db2.gz FTDWINJYWDGQFV-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)N1CCOC3(CC[NH+](C)CC3)C1)C2 ZINC000645528122 452498016 /nfs/dbraw/zinc/49/80/16/452498016.db2.gz PIZHFKCQDPQUNZ-MQVJKMGUSA-N 2 0 336.480 1.118 20 0 EDADRP O=S(=O)(NC1CC1)c1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000652340646 452511188 /nfs/dbraw/zinc/51/11/88/452511188.db2.gz AJYNKWFTKHIXKC-UHFFFAOYSA-N 2 0 349.500 1.703 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)C1 ZINC000652345870 452519503 /nfs/dbraw/zinc/51/95/03/452519503.db2.gz OGYCSZGAPSDEEM-UMVBOHGHSA-N 2 0 348.472 1.474 20 0 EDADRP Cc1csc(=O)n1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362006 452544729 /nfs/dbraw/zinc/54/47/29/452544729.db2.gz VMRSKOQMRUPOQQ-KFWWJZLASA-N 2 0 325.478 1.579 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363164 452545750 /nfs/dbraw/zinc/54/57/50/452545750.db2.gz ZMCGHHNGZAEGPB-BBWFWOEESA-N 2 0 341.496 1.280 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657836137 452558341 /nfs/dbraw/zinc/55/83/41/452558341.db2.gz YZNOIWYWFBHXGQ-GOSISDBHSA-N 2 0 327.513 1.435 20 0 EDADRP CC(C)[C@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000647824909 452559320 /nfs/dbraw/zinc/55/93/20/452559320.db2.gz DNNORVWGLAMSOV-GOSISDBHSA-N 2 0 336.524 1.203 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721663 452612505 /nfs/dbraw/zinc/61/25/05/452612505.db2.gz BRQOSUJWRIYQOT-CQSZACIVSA-N 2 0 338.496 1.143 20 0 EDADRP CC[NH+]1CCN(c2cnc(N3CC[N@@H+](CC)C[C@H]3C)cn2)[C@H](C)C1 ZINC000663906203 452633368 /nfs/dbraw/zinc/63/33/68/452633368.db2.gz USCSXLNIIODLBT-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654569421 452654266 /nfs/dbraw/zinc/65/42/66/452654266.db2.gz IDDHMNRPUVEOQL-TWMKSMIVSA-N 2 0 342.528 1.904 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655911706 452668262 /nfs/dbraw/zinc/66/82/62/452668262.db2.gz LWPMGUHUOJOULV-UPJWGTAASA-N 2 0 338.418 1.933 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000661947518 452702174 /nfs/dbraw/zinc/70/21/74/452702174.db2.gz IRWBNPTUVXNHHL-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)C(C)(C)n1cncn1 ZINC000658069573 452714791 /nfs/dbraw/zinc/71/47/91/452714791.db2.gz HTSGPAHXBZLCTJ-HNNXBMFYSA-N 2 0 335.496 1.882 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977041 452720410 /nfs/dbraw/zinc/72/04/10/452720410.db2.gz XJLOMECRZVKEGY-ZIAGYGMSSA-N 2 0 332.473 1.968 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645718631 452720523 /nfs/dbraw/zinc/72/05/23/452720523.db2.gz QYNVZLKOODWRAO-FZKCQIBNSA-N 2 0 348.495 1.126 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978620 452722867 /nfs/dbraw/zinc/72/28/67/452722867.db2.gz WAZIHFQLTIUNEB-MSOLQXFVSA-N 2 0 339.524 1.877 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000643846310 452737069 /nfs/dbraw/zinc/73/70/69/452737069.db2.gz PLECJVCMYVANGW-OKZBNKHCSA-N 2 0 347.507 1.751 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655959192 452738978 /nfs/dbraw/zinc/73/89/78/452738978.db2.gz QQABMBLKQBMDAC-IRXDYDNUSA-N 2 0 344.459 1.525 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139084 452746114 /nfs/dbraw/zinc/74/61/14/452746114.db2.gz KRYDLRYQTXCSSY-XPGWFJOJSA-N 3 0 329.488 1.826 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119180 452835531 /nfs/dbraw/zinc/83/55/31/452835531.db2.gz XGBNFLFWLQJHTD-JSGCOSHPSA-N 2 0 334.489 1.612 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654728967 452844647 /nfs/dbraw/zinc/84/46/47/452844647.db2.gz BRHHBASIIJNAAV-HZPDHXFCSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1scc2c1OCCO2 ZINC000654733001 452852759 /nfs/dbraw/zinc/85/27/59/452852759.db2.gz LIOCWSGLWRMYHJ-UHFFFAOYSA-N 2 0 327.450 1.085 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CCC[NH+]3CCCC[C@@H]23)C[C@H](C)[N@H+]1CCO ZINC000654738789 452870034 /nfs/dbraw/zinc/87/00/34/452870034.db2.gz RCPSVVCWCCTUFZ-YVSFHVDLSA-N 2 0 338.496 1.100 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)C[C@@H]21 ZINC000662143393 452878405 /nfs/dbraw/zinc/87/84/05/452878405.db2.gz QOSKLBDWAVYTRX-KURKYZTESA-N 2 0 328.460 1.606 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000648178085 452889693 /nfs/dbraw/zinc/88/96/93/452889693.db2.gz PQUQBVKTXBJPLT-RCCFBDPRSA-N 2 0 331.460 1.301 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000660028258 452937318 /nfs/dbraw/zinc/93/73/18/452937318.db2.gz UNHRHADFBGEXJR-OAHLLOKOSA-N 2 0 325.478 1.511 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000645977528 452962713 /nfs/dbraw/zinc/96/27/13/452962713.db2.gz FMKUEVUGMFROGI-JQHSSLGASA-N 2 0 336.524 1.569 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000645977880 452965973 /nfs/dbraw/zinc/96/59/73/452965973.db2.gz MIYIOTVAGMHEMP-MJGOQNOKSA-N 2 0 344.503 1.751 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])C2)CC1 ZINC000645978152 452966210 /nfs/dbraw/zinc/96/62/10/452966210.db2.gz VMWRCWPZNCELMR-UIEBLEIFSA-N 2 0 348.535 1.425 20 0 EDADRP O=C(Nc1ccccc1)NC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254195 452983220 /nfs/dbraw/zinc/98/32/20/452983220.db2.gz NTKMVMYAUDLUGH-KRWDZBQOSA-N 2 0 344.459 1.794 20 0 EDADRP Cc1cc(C(=O)NC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)c(C)o1 ZINC000662255117 452983247 /nfs/dbraw/zinc/98/32/47/452983247.db2.gz AATOTMWSQSLOEN-MRXNPFEDSA-N 2 0 347.459 1.612 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@@]3(CCN(C[C@@H]4C[NH2+]CCO4)C3)C2)cc1 ZINC000662264122 452993697 /nfs/dbraw/zinc/99/36/97/452993697.db2.gz RIDLQUUSOTZOGW-VQTJNVASSA-N 2 0 329.488 1.963 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000664369089 453038745 /nfs/dbraw/zinc/03/87/45/453038745.db2.gz YKUFUJPBORABBO-HRCADAONSA-N 2 0 339.528 1.183 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656306046 453042392 /nfs/dbraw/zinc/04/23/92/453042392.db2.gz GUZODQYQPLQSCJ-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP c1c(C2CC[NH+](CCN3CCOCC3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327345 453046846 /nfs/dbraw/zinc/04/68/46/453046846.db2.gz OAVYPRKAQIMEIV-UHFFFAOYSA-N 2 0 347.507 1.388 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)cn1 ZINC000662337581 453055324 /nfs/dbraw/zinc/05/53/24/453055324.db2.gz LPOMQFOCJBZRHK-QGZVFWFLSA-N 2 0 340.475 1.902 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662346559 453064904 /nfs/dbraw/zinc/06/49/04/453064904.db2.gz SYVDQXVLEDMUGU-CVEARBPZSA-N 2 0 341.459 1.389 20 0 EDADRP C[C@@H]1CN(c2ccccc2F)CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699061 453077093 /nfs/dbraw/zinc/07/70/93/453077093.db2.gz IWOQOVXHXRJPLM-CVEARBPZSA-N 2 0 348.466 1.534 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644160231 453091378 /nfs/dbraw/zinc/09/13/78/453091378.db2.gz VBAFQTLWNLCWTP-KBMXLJTQSA-N 2 0 337.414 1.868 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662387704 453097379 /nfs/dbraw/zinc/09/73/79/453097379.db2.gz HPVBLQWZRSZZQL-CABCVRRESA-N 2 0 333.480 1.729 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000650922571 453112680 /nfs/dbraw/zinc/11/26/80/453112680.db2.gz IIVVECQWUNIRLI-QGZVFWFLSA-N 2 0 341.544 1.147 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666767171 453132548 /nfs/dbraw/zinc/13/25/48/453132548.db2.gz ZFYYEZNTUULUTL-ZIAGYGMSSA-N 2 0 332.448 1.463 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000662435384 453142440 /nfs/dbraw/zinc/14/24/40/453142440.db2.gz XUGFVXAKUDQXPA-BHYGNILZSA-N 2 0 344.459 1.450 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN[C@H](CO)c1ccc(Br)cc1 ZINC000660237426 453147352 /nfs/dbraw/zinc/14/73/52/453147352.db2.gz CJBCCDQVWUPZHW-LSDHHAIUSA-N 2 0 345.281 1.773 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)c2cccn2C2CC[NH2+]CC2)CCSC1 ZINC000646151355 453161856 /nfs/dbraw/zinc/16/18/56/453161856.db2.gz JTFINHQOCOAQMD-QGZVFWFLSA-N 2 0 336.505 1.580 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000662458279 453166191 /nfs/dbraw/zinc/16/61/91/453166191.db2.gz SFRAOVIYEBKSLV-OAHLLOKOSA-N 2 0 328.460 1.188 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000666832372 453177598 /nfs/dbraw/zinc/17/75/98/453177598.db2.gz YLAFICNLCUCQLF-MRXNPFEDSA-N 2 0 344.459 1.418 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662485725 453202059 /nfs/dbraw/zinc/20/20/59/453202059.db2.gz IWPJIIIFNFREPP-INIZCTEOSA-N 2 0 331.460 1.863 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662487626 453204880 /nfs/dbraw/zinc/20/48/80/453204880.db2.gz ZJLMQHIZUAEQNE-HNNXBMFYSA-N 2 0 346.475 1.946 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000666925761 453253281 /nfs/dbraw/zinc/25/32/81/453253281.db2.gz DIJASWWPLQMUII-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000666925760 453253520 /nfs/dbraw/zinc/25/35/20/453253520.db2.gz DIJASWWPLQMUII-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]1CCCC1 ZINC000653105941 453288176 /nfs/dbraw/zinc/28/81/76/453288176.db2.gz NVERYNLGOZDJOL-DLBZAZTESA-N 2 0 348.491 1.227 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666974262 453289629 /nfs/dbraw/zinc/28/96/29/453289629.db2.gz MGGTZUIDZUILBF-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666973432 453289982 /nfs/dbraw/zinc/28/99/82/453289982.db2.gz VEUBNIWTVUSGMS-IAGOWNOFSA-N 2 0 338.496 1.221 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000666978266 453299254 /nfs/dbraw/zinc/29/92/54/453299254.db2.gz VUIQLKRMWAXQJM-NVXWUHKLSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000653112470 453300092 /nfs/dbraw/zinc/30/00/92/453300092.db2.gz ZLPFMULCHWBJJC-ZWKOTPCHSA-N 2 0 332.492 1.436 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000653112467 453300165 /nfs/dbraw/zinc/30/01/65/453300165.db2.gz ZLPFMULCHWBJJC-MSOLQXFVSA-N 2 0 332.492 1.436 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000653113900 453301823 /nfs/dbraw/zinc/30/18/23/453301823.db2.gz RHKYQTCRGZYKJH-IBGZPJMESA-N 2 0 346.519 1.958 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653120379 453310205 /nfs/dbraw/zinc/31/02/05/453310205.db2.gz PKOJFVLRLNFMEJ-LNLFQRSKSA-N 2 0 329.444 1.003 20 0 EDADRP C[C@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1Cc1ccccc1 ZINC000653122673 453313212 /nfs/dbraw/zinc/31/32/12/453313212.db2.gz ATDHEYGTTSGWJV-QRFRQXIXSA-N 2 0 343.471 1.345 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000653166888 453358220 /nfs/dbraw/zinc/35/82/20/453358220.db2.gz HQKPPSGSPKKMLC-HMQMGEFJSA-N 2 0 338.496 1.268 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCCc3nn[nH]c32)CC1 ZINC000667054392 453370720 /nfs/dbraw/zinc/37/07/20/453370720.db2.gz HKXRDBRORGULMN-GFCCVEGCSA-N 2 0 341.419 1.010 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183700 453373614 /nfs/dbraw/zinc/37/36/14/453373614.db2.gz IMOPDKXAOICKKX-XOYOTBSWSA-N 2 0 349.450 1.613 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000662667719 453379494 /nfs/dbraw/zinc/37/94/94/453379494.db2.gz DGXBQPUUENANIC-HOCLYGCPSA-N 2 0 346.479 1.339 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)C2(O)C[NH2+]C2)C1 ZINC000662677745 453395681 /nfs/dbraw/zinc/39/56/81/453395681.db2.gz SICCWQXBYBQDDJ-GASCZTMLSA-N 2 0 331.460 1.115 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000664777926 453397754 /nfs/dbraw/zinc/39/77/54/453397754.db2.gz JJDYGSORENCPBI-DLBZAZTESA-N 2 0 336.455 1.864 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223284 453411741 /nfs/dbraw/zinc/41/17/41/453411741.db2.gz HUOJOCHIVMNXTD-DDUZABMNSA-N 2 0 335.423 1.433 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cccn1C1CC[NH2+]CC1 ZINC000662709519 453432631 /nfs/dbraw/zinc/43/26/31/453432631.db2.gz SNFLWYDAHQZDDY-KRWDZBQOSA-N 2 0 346.475 1.396 20 0 EDADRP CN(C(=O)[C@H]1CCO[C@H]1C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000662720039 453443256 /nfs/dbraw/zinc/44/32/56/453443256.db2.gz PGZZGEOAIHPRFN-ROUUACIJSA-N 2 0 331.460 1.473 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C3([NH2+]C4CC4)CCC3)CC2)c1 ZINC000662718625 453443673 /nfs/dbraw/zinc/44/36/73/453443673.db2.gz QPUPHYVAUDAVPQ-UHFFFAOYSA-N 2 0 330.432 1.414 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)C2)C1 ZINC000667167462 453449124 /nfs/dbraw/zinc/44/91/24/453449124.db2.gz MDPXRCMHGZAVHW-GOSISDBHSA-N 2 0 330.432 1.028 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662744875 453473157 /nfs/dbraw/zinc/47/31/57/453473157.db2.gz IZEAJVXQFJBLHU-JKSUJKDBSA-N 2 0 348.495 1.539 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)c1 ZINC000662755451 453491691 /nfs/dbraw/zinc/49/16/91/453491691.db2.gz BQQYKFZXCPXFMQ-QAQDUYKDSA-N 2 0 330.476 1.361 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000662762616 453500261 /nfs/dbraw/zinc/50/02/61/453500261.db2.gz XDBKHKQMGAYSGD-HZPDHXFCSA-N 2 0 346.479 1.197 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655446236 453533350 /nfs/dbraw/zinc/53/33/50/453533350.db2.gz JAZHWULITYFPAD-LPHOPBHVSA-N 2 0 344.459 1.905 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000662818564 453549933 /nfs/dbraw/zinc/54/99/33/453549933.db2.gz AMDJSTQZKZLYTG-BSDSXHPESA-N 2 0 329.444 1.083 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832158 453558304 /nfs/dbraw/zinc/55/83/04/453558304.db2.gz FMNJPGYNTDTYEA-IRXDYDNUSA-N 2 0 325.497 1.711 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1ccccc1 ZINC000662834322 453561043 /nfs/dbraw/zinc/56/10/43/453561043.db2.gz ZHKNEDDDPIJVKH-ROUUACIJSA-N 2 0 331.460 1.790 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838718 453563551 /nfs/dbraw/zinc/56/35/51/453563551.db2.gz NXEFTPRJBDXUOD-CVEARBPZSA-N 2 0 346.479 1.258 20 0 EDADRP O=C(N1CCC([C@H]2CCC[NH2+]C2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662847082 453568037 /nfs/dbraw/zinc/56/80/37/453568037.db2.gz YZACFYFDGMQQCA-KRWDZBQOSA-N 2 0 345.491 1.200 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)on1 ZINC000662868945 453580222 /nfs/dbraw/zinc/58/02/22/453580222.db2.gz SEZNUSANQNSQBC-ZIAGYGMSSA-N 2 0 346.406 1.883 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@@H+]1C ZINC000659036725 453592641 /nfs/dbraw/zinc/59/26/41/453592641.db2.gz SUNSFMBTDMYKRS-XYPHTWIQSA-N 2 0 332.448 1.952 20 0 EDADRP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000665234588 453618642 /nfs/dbraw/zinc/61/86/42/453618642.db2.gz GKXOTQOQJWAPOO-CEXWTWQISA-N 2 0 331.460 1.569 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659096813 453629079 /nfs/dbraw/zinc/62/90/79/453629079.db2.gz WOSMTERTNTWYMW-OAHLLOKOSA-N 2 0 332.448 1.334 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662971205 453629946 /nfs/dbraw/zinc/62/99/46/453629946.db2.gz CTGREQUIQVTGFX-MRXNPFEDSA-N 2 0 346.479 1.054 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659098236 453630617 /nfs/dbraw/zinc/63/06/17/453630617.db2.gz IADMXGNYPQFSBW-UHFFFAOYSA-N 2 0 332.448 1.383 20 0 EDADRP CNC(=O)CC1(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CCCCC1 ZINC000665276055 453633181 /nfs/dbraw/zinc/63/31/81/453633181.db2.gz XQLSYUMGLHQTBP-BRWVUGGUSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000659106939 453638918 /nfs/dbraw/zinc/63/89/18/453638918.db2.gz WQKYXTRVBNRKFK-QGZVFWFLSA-N 2 0 348.491 1.957 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000663004055 453644232 /nfs/dbraw/zinc/64/42/32/453644232.db2.gz OPMBBWWVIMDWSG-LSDHHAIUSA-N 2 0 331.464 1.338 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665364416 453667971 /nfs/dbraw/zinc/66/79/71/453667971.db2.gz PPPMGTBOTKKCQK-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000665414171 453685961 /nfs/dbraw/zinc/68/59/61/453685961.db2.gz HFSGZHXNTXPJIT-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP COC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000661158929 453740176 /nfs/dbraw/zinc/74/01/76/453740176.db2.gz QHJTTXJEYWHNLI-QGZVFWFLSA-N 2 0 341.496 1.007 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2C(=O)N(Cc3ccccc3)C(=O)[C@@H]2C1 ZINC000661177318 453747754 /nfs/dbraw/zinc/74/77/54/453747754.db2.gz PBVSZGXSLWCXEZ-KURKYZTESA-N 2 0 341.455 1.588 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000665555895 453748453 /nfs/dbraw/zinc/74/84/53/453748453.db2.gz MWWWIOGIPKDUBR-CVEARBPZSA-N 2 0 338.496 1.223 20 0 EDADRP c1nc(N[C@H]2CC[N@@H+](C3CC3)C2)cnc1N[C@H]1CC[NH+](C2CC2)C1 ZINC000663449335 453801938 /nfs/dbraw/zinc/80/19/38/453801938.db2.gz VSFGAYGGJAFNIY-KBPBESRZSA-N 2 0 328.464 1.774 20 0 EDADRP c1c([C@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663509978 453813065 /nfs/dbraw/zinc/81/30/65/453813065.db2.gz DIZQVRRIQJWPGF-CABCVRRESA-N 2 0 335.521 1.752 20 0 EDADRP CC(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)N1CCOCC1 ZINC000164308574 486728117 /nfs/dbraw/zinc/72/81/17/486728117.db2.gz CRSVXSWANJTKGV-QZTJIDSGSA-N 2 0 333.476 1.940 20 0 EDADRP COCC(=O)NC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680326732 486750394 /nfs/dbraw/zinc/75/03/94/486750394.db2.gz HRHUCHHZAHCCFY-UHFFFAOYSA-N 2 0 343.431 1.303 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000676393207 486754995 /nfs/dbraw/zinc/75/49/95/486754995.db2.gz NAJYCDQWMHZFIP-OAHLLOKOSA-N 2 0 337.489 1.793 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672700277 486769085 /nfs/dbraw/zinc/76/90/85/486769085.db2.gz FURMWRDHVABSGS-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP O=C([C@H]1CCc2nc[nH]c2C1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000667423929 486773592 /nfs/dbraw/zinc/77/35/92/486773592.db2.gz YKWFVEAKOXRDKC-GJZGRUSLSA-N 2 0 332.448 1.228 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416941598 486789190 /nfs/dbraw/zinc/78/91/90/486789190.db2.gz AGTAPASLFZAXQD-ULQDDVLXSA-N 2 0 340.512 1.693 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416962473 486789893 /nfs/dbraw/zinc/78/98/93/486789893.db2.gz AECLINCWCKUEKG-HOTGVXAUSA-N 2 0 334.464 1.696 20 0 EDADRP Cn1nnnc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000683690068 486792420 /nfs/dbraw/zinc/79/24/20/486792420.db2.gz DNSKYBVWUDHBIF-BJWYYQGGSA-N 2 0 326.448 1.538 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417056135 486792438 /nfs/dbraw/zinc/79/24/38/486792438.db2.gz YTYKAYOVZDUAGO-UHFFFAOYSA-N 2 0 347.507 1.368 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672803152 486807167 /nfs/dbraw/zinc/80/71/67/486807167.db2.gz HPDBEUPMAMKIOD-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000417990266 486820583 /nfs/dbraw/zinc/82/05/83/486820583.db2.gz KHADACQQKOLCBG-FGTMMUONSA-N 2 0 346.475 1.322 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000680815547 486858833 /nfs/dbraw/zinc/85/88/33/486858833.db2.gz SMWCZAAUFJYYKV-LJQANCHMSA-N 2 0 333.476 1.317 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000683910271 486862739 /nfs/dbraw/zinc/86/27/39/486862739.db2.gz SJWPNVYXPKPDLS-UYAOXDASSA-N 2 0 345.487 1.566 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667727961 486936733 /nfs/dbraw/zinc/93/67/33/486936733.db2.gz LNQWXZSWFGOFTO-HNNXBMFYSA-N 2 0 333.480 1.540 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000681188667 486964728 /nfs/dbraw/zinc/96/47/28/486964728.db2.gz OSURXAGGYFTDMX-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667802257 486971081 /nfs/dbraw/zinc/97/10/81/486971081.db2.gz KBUDHKVEVTVKMO-UHFFFAOYSA-N 2 0 348.495 1.075 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CC1 ZINC000667800709 486971182 /nfs/dbraw/zinc/97/11/82/486971182.db2.gz MAZZILIGWCDYIF-UHFFFAOYSA-N 2 0 331.464 1.969 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000667807067 486974788 /nfs/dbraw/zinc/97/47/88/486974788.db2.gz PKPSWBULUKVFON-HIFRSBDPSA-N 2 0 331.464 1.894 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)[C@@H](C)C3)nc(C)n2)C[C@@H]1C ZINC000677152472 486986628 /nfs/dbraw/zinc/98/66/28/486986628.db2.gz CWSGSAXKWMPINV-HOTGVXAUSA-N 2 0 346.523 1.846 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000673611687 487068653 /nfs/dbraw/zinc/06/86/53/487068653.db2.gz YQZLJAYIOPEIFN-INIZCTEOSA-N 2 0 340.489 1.541 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684578865 487105619 /nfs/dbraw/zinc/10/56/19/487105619.db2.gz VXFYWOFXVNAYDD-MRXNPFEDSA-N 2 0 340.427 1.683 20 0 EDADRP CN(Cc1c(C2CC2)cnn1C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668162176 487124570 /nfs/dbraw/zinc/12/45/70/487124570.db2.gz QJCBSAIQCKPPCQ-QGZVFWFLSA-N 2 0 331.508 1.898 20 0 EDADRP C[C@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[N@@H+]1CCO ZINC000681755361 487158709 /nfs/dbraw/zinc/15/87/09/487158709.db2.gz RYJOXTUBISFDEU-SFHVURJKSA-N 2 0 347.503 1.660 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000681764568 487162083 /nfs/dbraw/zinc/16/20/83/487162083.db2.gz ASPNSPALUZVUIY-HKUYNNGSSA-N 2 0 331.460 1.034 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000677951341 487210688 /nfs/dbraw/zinc/21/06/88/487210688.db2.gz NXUCSLJLKWLGHT-MRXNPFEDSA-N 2 0 334.464 1.434 20 0 EDADRP COc1cc2c(c(CN(CC[NH+](C)C)CC[NH+](C)C)c1)O[C@@H](C)C2 ZINC000685457077 487278292 /nfs/dbraw/zinc/27/82/92/487278292.db2.gz KCGIMJXLSHSMLY-HNNXBMFYSA-N 2 0 335.492 1.944 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)c1ccc(CN2CCOCC2)cn1 ZINC000685742722 487317337 /nfs/dbraw/zinc/31/73/37/487317337.db2.gz GUBJCWAITLHRFK-QGZVFWFLSA-N 2 0 346.475 1.518 20 0 EDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000679345586 487416492 /nfs/dbraw/zinc/41/64/92/487416492.db2.gz MSVIGCGMYJZVQE-CYBMUJFWSA-N 2 0 335.496 1.995 20 0 EDADRP NC(=O)c1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000675845274 487451501 /nfs/dbraw/zinc/45/15/01/487451501.db2.gz AMGJNMZMTBAUGQ-KRWDZBQOSA-N 2 0 342.487 1.828 20 0 EDADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898284 487457700 /nfs/dbraw/zinc/45/77/00/487457700.db2.gz KSXFEPNIXNNDFM-XLIONFOSSA-N 2 0 331.504 1.943 20 0 EDADRP Cc1ccc(CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)c(N2CCCC2)n1 ZINC000669556004 485558776 /nfs/dbraw/zinc/55/87/76/485558776.db2.gz SXGYAADYHZYZHK-CABCVRRESA-N 2 0 331.464 1.882 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669561169 485568439 /nfs/dbraw/zinc/56/84/39/485568439.db2.gz TUAIWADPNZWAHX-XGXHKWSGSA-N 2 0 342.487 1.900 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672967418 485851810 /nfs/dbraw/zinc/85/18/10/485851810.db2.gz JUIRPUPPBXFDAY-UHFFFAOYSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccccc1 ZINC000668649545 485994227 /nfs/dbraw/zinc/99/42/27/485994227.db2.gz QLXFKIDMPOOMMV-SQNIBIBYSA-N 2 0 330.476 1.553 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000346561240 485996656 /nfs/dbraw/zinc/99/66/56/485996656.db2.gz GCUOSIZTQMVXKZ-KSZLIROESA-N 2 0 337.508 1.676 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000668665624 486015625 /nfs/dbraw/zinc/01/56/25/486015625.db2.gz CIIGTYWATNRZBD-KZNAEPCWSA-N 2 0 328.460 1.654 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000669418666 486137856 /nfs/dbraw/zinc/13/78/56/486137856.db2.gz XXXSBWVKOXNVIB-QAPCUYQASA-N 2 0 330.476 1.875 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH2+]2)[C@H](C)C1 ZINC000669486245 486253107 /nfs/dbraw/zinc/25/31/07/486253107.db2.gz INAHWBNLMJGETC-ZACQAIPSSA-N 2 0 340.512 1.565 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000162274205 486646535 /nfs/dbraw/zinc/64/65/35/486646535.db2.gz MFHQIRJKFWTLBN-QZTJIDSGSA-N 2 0 330.476 1.434 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429552 536459491 /nfs/dbraw/zinc/45/94/91/536459491.db2.gz CDSAUPHTIBXJTO-CVEARBPZSA-N 2 0 329.400 1.236 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000173731537 527805533 /nfs/dbraw/zinc/80/55/33/527805533.db2.gz QMSXNMISQKOOGS-INIZCTEOSA-N 2 0 346.475 1.487 20 0 EDADRP CCC(CC)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH2+][C@H](C)c1ccccc1 ZINC000262415147 534978589 /nfs/dbraw/zinc/97/85/89/534978589.db2.gz PUYJEVNFWHRPRU-OIISXLGYSA-N 2 0 333.476 1.735 20 0 EDADRP CCCNC(=O)CN(C)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347571440 535054536 /nfs/dbraw/zinc/05/45/36/535054536.db2.gz RCEUFVAQZPUCKI-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346650357 535157762 /nfs/dbraw/zinc/15/77/62/535157762.db2.gz CATLMNKZQKJATN-GOEBONIOSA-N 2 0 347.507 1.787 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccc3c(c2)oc(=O)n3C)CC1 ZINC000352666651 535165215 /nfs/dbraw/zinc/16/52/15/535165215.db2.gz HXPBPFWBTOWYKQ-UHFFFAOYSA-N 2 0 333.432 1.456 20 0 EDADRP CC(C)N1CCC[C@H]([NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1=O ZINC000333608610 535178512 /nfs/dbraw/zinc/17/85/12/535178512.db2.gz RPBGSEQDFQTLTJ-INIZCTEOSA-N 2 0 331.464 1.523 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)cc1 ZINC000261617102 535606593 /nfs/dbraw/zinc/60/65/93/535606593.db2.gz BWELKBNUKHSQQX-GOSISDBHSA-N 2 0 333.476 1.899 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@H](C)C1 ZINC000347194509 535768308 /nfs/dbraw/zinc/76/83/08/535768308.db2.gz GYYBRPIFNMBSQO-CABCVRRESA-N 2 0 336.480 1.561 20 0 EDADRP CC[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299999 535774452 /nfs/dbraw/zinc/77/44/52/535774452.db2.gz PQORCBLYXDWXCR-QAPCUYQASA-N 2 0 330.476 1.893 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC(F)(F)F ZINC000340959358 535855876 /nfs/dbraw/zinc/85/58/76/535855876.db2.gz PVENYSHMJPCDMB-UHFFFAOYSA-N 2 0 345.431 1.226 20 0 EDADRP C[NH+](CCCC[N@@H+](C)CCc1cnccn1)CCc1cnccn1 ZINC000271358813 536334154 /nfs/dbraw/zinc/33/41/54/536334154.db2.gz PPBVVFVYGVGFGJ-UHFFFAOYSA-N 2 0 328.464 1.696 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC000237164473 536340178 /nfs/dbraw/zinc/34/01/78/536340178.db2.gz KYYKYGQUAYXMCW-LJQANCHMSA-N 2 0 344.503 1.231 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCOCC2)[C@H]1c1cccs1 ZINC000261909281 536385482 /nfs/dbraw/zinc/38/54/82/536385482.db2.gz STHKJLLSDQEJHV-HIFRSBDPSA-N 2 0 337.489 1.755 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C1 ZINC000347676090 536773929 /nfs/dbraw/zinc/77/39/29/536773929.db2.gz XLCMJOKCXPDRIO-YESZJQIVSA-N 2 0 340.512 1.467 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000743316729 579475900 /nfs/dbraw/zinc/47/59/00/579475900.db2.gz YDGMZYHCNDZKRY-RDJZCZTQSA-N 2 0 325.497 1.770 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000732475053 578714515 /nfs/dbraw/zinc/71/45/15/578714515.db2.gz RGUGGYXYKMXXMS-SFHVURJKSA-N 2 0 347.507 1.135 20 0 EDADRP C[N@H+](CCCO)C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736797486 579021480 /nfs/dbraw/zinc/02/14/80/579021480.db2.gz JELUKVOADXSUJO-UHFFFAOYSA-N 2 0 348.426 1.284 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](CC)CC ZINC000746260368 579582817 /nfs/dbraw/zinc/58/28/17/579582817.db2.gz XCXPKGBXPBFPHA-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=S)NCCC[NH+](C)C)CC1 ZINC000747668821 579653059 /nfs/dbraw/zinc/65/30/59/579653059.db2.gz YJOFSXJKYCBABA-UHFFFAOYSA-N 2 0 330.542 1.292 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCCC1 ZINC000748327860 579679893 /nfs/dbraw/zinc/67/98/93/579679893.db2.gz HMSVYPFIZOOBEV-UHFFFAOYSA-N 2 0 331.464 1.789 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1csc(C)n1 ZINC000750734721 579778900 /nfs/dbraw/zinc/77/89/00/579778900.db2.gz MIZQAULHARIGIE-MRXNPFEDSA-N 2 0 338.521 1.869 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@](C)(c2ccccn2)CC1=O ZINC000758218998 579977175 /nfs/dbraw/zinc/97/71/75/579977175.db2.gz FUMWKBNUYRTJBC-LJQANCHMSA-N 2 0 330.476 1.803 20 0 EDADRP Cc1nc(Cl)ccc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000764385216 580118758 /nfs/dbraw/zinc/11/87/58/580118758.db2.gz NXYAZUJMZOGYAU-UHFFFAOYSA-N 2 0 326.872 1.538 20 0 EDADRP C[C@@H]([NH2+]CCNS(=O)(=O)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000765280126 580139161 /nfs/dbraw/zinc/13/91/61/580139161.db2.gz QICWQELWKICOGK-OAHLLOKOSA-N 2 0 339.505 1.426 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000775307202 580387721 /nfs/dbraw/zinc/38/77/21/580387721.db2.gz VLSWRQUXFUKDIO-UHFFFAOYSA-N 2 0 344.503 1.713 20 0 EDADRP C[C@@H](CNC(=O)N(C)CCCN1CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000779335587 580483778 /nfs/dbraw/zinc/48/37/78/580483778.db2.gz FQEUIBOTNXFCGP-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP O=CN1CCC([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000788436537 580721283 /nfs/dbraw/zinc/72/12/83/580721283.db2.gz NGFYXPMMFDXKLJ-UHFFFAOYSA-N 2 0 331.460 1.354 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795927790 580941580 /nfs/dbraw/zinc/94/15/80/580941580.db2.gz OXUOGJVWQICLQA-QGZVFWFLSA-N 2 0 339.524 1.783 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795927729 580941588 /nfs/dbraw/zinc/94/15/88/580941588.db2.gz OAGFAZCYCZTAGM-UHFFFAOYSA-N 2 0 339.524 1.783 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000795937093 580941744 /nfs/dbraw/zinc/94/17/44/580941744.db2.gz YCPQJDLNYJHYGM-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP CO[C@H](C)C[N@H+](C)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000796639741 580958752 /nfs/dbraw/zinc/95/87/52/580958752.db2.gz OASQLCOZZZQLRM-NUJGCVRESA-N 2 0 333.476 1.732 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047126 590635131 /nfs/dbraw/zinc/63/51/31/590635131.db2.gz KMKQMTLWYHHXSF-OUUBHVDSSA-N 2 0 348.487 1.651 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CC1 ZINC000891830033 590640857 /nfs/dbraw/zinc/64/08/57/590640857.db2.gz UJMUPECBFJPRJS-UHFFFAOYSA-N 2 0 327.423 1.738 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCCCC[C@@H]([NH3+])C2)CCCO1 ZINC000891857100 590657849 /nfs/dbraw/zinc/65/78/49/590657849.db2.gz YOZIAHUZCNUKPC-HZPDHXFCSA-N 2 0 326.485 1.400 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891882163 590668589 /nfs/dbraw/zinc/66/85/89/590668589.db2.gz PFWQKSMUQCEPFI-RTBURBONSA-N 2 0 342.487 1.923 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891910237 590683654 /nfs/dbraw/zinc/68/36/54/590683654.db2.gz PIQUOHWTPPXNFC-HNNXBMFYSA-N 2 0 328.501 1.565 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000891973669 590718008 /nfs/dbraw/zinc/71/80/08/590718008.db2.gz WRNVBUMNBRDSEY-RDJZCZTQSA-N 2 0 332.448 1.493 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000891979210 590721713 /nfs/dbraw/zinc/72/17/13/590721713.db2.gz LURXTEUKYGGCMQ-WMLDXEAASA-N 2 0 332.448 1.351 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000893233037 590724613 /nfs/dbraw/zinc/72/46/13/590724613.db2.gz QMOGEXPSISQENQ-IBGZPJMESA-N 3 0 346.519 1.207 20 0 EDADRP C[C@H](CNC(=O)N(C)CC(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000893236667 590726300 /nfs/dbraw/zinc/72/63/00/590726300.db2.gz JLVHVQOCQPZJFR-MRXNPFEDSA-N 2 0 341.544 1.099 20 0 EDADRP COCCC1(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[NH2+]CC1 ZINC000892008287 590740322 /nfs/dbraw/zinc/74/03/22/590740322.db2.gz UIQDOSCEWKCZJS-HNNXBMFYSA-N 2 0 326.485 1.352 20 0 EDADRP Cc1ccc(CN2CCO[C@H](CNC(=O)NC[C@@H]([NH3+])C(C)C)C2)cc1 ZINC000892019701 590751092 /nfs/dbraw/zinc/75/10/92/590751092.db2.gz RIXHDOFLJIDMBS-QZTJIDSGSA-N 2 0 348.491 1.478 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1)c1ccccc1 ZINC000892030455 590761431 /nfs/dbraw/zinc/76/14/31/590761431.db2.gz JYRSKOMBZKGFSU-GOSISDBHSA-N 2 0 346.475 1.629 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892131436 590814085 /nfs/dbraw/zinc/81/40/85/590814085.db2.gz ZZEPTEBDPAHNGO-WMZOPIPTSA-N 2 0 343.475 1.392 20 0 EDADRP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)N[C@H]1C[NH2+]CCC1(F)F ZINC000892155202 590826482 /nfs/dbraw/zinc/82/64/82/590826482.db2.gz CFSDFPKIBVFTDA-OLZOCXBDSA-N 2 0 330.423 1.595 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000890878512 590827859 /nfs/dbraw/zinc/82/78/59/590827859.db2.gz CCASGNIXPNGPHP-IAGOWNOFSA-N 2 0 349.523 1.502 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000892171479 590841537 /nfs/dbraw/zinc/84/15/37/590841537.db2.gz YSJOWBQRHVHRTO-QGZVFWFLSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000892188728 590854917 /nfs/dbraw/zinc/85/49/17/590854917.db2.gz SCOIQNJCDREGGZ-LTIDMASMSA-N 2 0 343.475 1.690 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000893418592 590858169 /nfs/dbraw/zinc/85/81/69/590858169.db2.gz YVUAVDKHLNZJPE-WBVHZDCISA-N 2 0 342.553 1.797 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000892241348 590883075 /nfs/dbraw/zinc/88/30/75/590883075.db2.gz QCTGKHNMUPGURY-QAQDUYKDSA-N 2 0 331.464 1.330 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000892267125 590899905 /nfs/dbraw/zinc/89/99/05/590899905.db2.gz RVDCBXGNPNMEBU-GDBMZVCRSA-N 2 0 329.448 1.444 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CCC([NH+]4CCCCC4)CC3)C[C@H]2C1 ZINC000893491769 590907312 /nfs/dbraw/zinc/90/73/12/590907312.db2.gz LPBKPAWBNIFDFZ-OQSMONGASA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H]1CN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+](C2CC2)C1 ZINC000892332199 590959276 /nfs/dbraw/zinc/95/92/76/590959276.db2.gz LWWSIYLYOSWWTB-OAHLLOKOSA-N 2 0 342.487 1.958 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892332632 590960141 /nfs/dbraw/zinc/96/01/41/590960141.db2.gz XBUXSVUKCADNAR-KRWDZBQOSA-N 2 0 330.476 1.958 20 0 EDADRP C[NH+](C)[C@@H](CNc1ccnc(NC[C@H](C2CC2)[NH+](C)C)n1)C1CC1 ZINC000892346151 590975026 /nfs/dbraw/zinc/97/50/26/590975026.db2.gz WHGTZPISGKJHRA-JKSUJKDBSA-N 2 0 332.496 1.981 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)[NH+](C)C)cc1 ZINC000892410215 591016433 /nfs/dbraw/zinc/01/64/33/591016433.db2.gz QBQNWHJQQZZZOH-OKZBNKHCSA-N 2 0 330.476 1.943 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892484347 591043527 /nfs/dbraw/zinc/04/35/27/591043527.db2.gz CAZFZBHZBXJHKP-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2[nH]cc(C(=O)OC)c2C2CC2)CC1 ZINC000892574097 591077702 /nfs/dbraw/zinc/07/77/02/591077702.db2.gz IXWIATSUPNSCJS-AWEZNQCLSA-N 2 0 348.491 1.794 20 0 EDADRP CN1CCN(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+](C)CC1 ZINC000891476623 591084916 /nfs/dbraw/zinc/08/49/16/591084916.db2.gz SERJGOSRGUPUAU-SFHVURJKSA-N 2 0 347.507 1.178 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)[C@@H]2C1 ZINC000891520034 591104971 /nfs/dbraw/zinc/10/49/71/591104971.db2.gz CKFYKKNPOVICOH-ARFHVFGLSA-N 2 0 332.448 1.762 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000891567089 591129521 /nfs/dbraw/zinc/12/95/21/591129521.db2.gz VPLOCTYXDALLRZ-GJZGRUSLSA-N 2 0 328.501 1.550 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000891639022 591162201 /nfs/dbraw/zinc/16/22/01/591162201.db2.gz OWYYXWBBNYEUTO-SJORKVTESA-N 2 0 342.553 1.830 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000891659050 591172254 /nfs/dbraw/zinc/17/22/54/591172254.db2.gz HUWHLKHBHQNYPK-HOTGVXAUSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894028478 591175041 /nfs/dbraw/zinc/17/50/41/591175041.db2.gz HLWCISGVBFDPHH-NXHRZFHOSA-N 2 0 330.476 1.710 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891673206 591178708 /nfs/dbraw/zinc/17/87/08/591178708.db2.gz HOXQYZXTZRHVBG-MZMPZRCHSA-N 2 0 328.460 1.483 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892789370 591179123 /nfs/dbraw/zinc/17/91/23/591179123.db2.gz NJFDOTDOJUUSPR-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)C1 ZINC000891694392 591187981 /nfs/dbraw/zinc/18/79/81/591187981.db2.gz MVAMEOFIYBFYOK-DJIMGWMZSA-N 2 0 338.496 1.277 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CCCC1 ZINC000892833536 591198786 /nfs/dbraw/zinc/19/87/86/591198786.db2.gz YYHHFKROXNCBJY-SJORKVTESA-N 2 0 338.496 1.101 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000891728659 591201194 /nfs/dbraw/zinc/20/11/94/591201194.db2.gz MUZYDHMGSQXQAH-HUUCEWRRSA-N 2 0 328.501 1.563 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@H]32)CC1 ZINC000892885418 591215279 /nfs/dbraw/zinc/21/52/79/591215279.db2.gz XROSSTIPULOACC-GDBMZVCRSA-N 2 0 338.496 1.221 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC([NH2+]C[C@@H]2C[C@@]2(C)Br)CC1 ZINC000892880160 591215301 /nfs/dbraw/zinc/21/53/01/591215301.db2.gz WHHRNKWAFQECEJ-SWLSCSKDSA-N 2 0 346.313 1.692 20 0 EDADRP COCCC1(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000891774921 591220669 /nfs/dbraw/zinc/22/06/69/591220669.db2.gz BBMFSEXYJRXWRB-INIZCTEOSA-N 2 0 340.512 1.709 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)CC1 ZINC000892924147 591226357 /nfs/dbraw/zinc/22/63/57/591226357.db2.gz ZERJZEVIUGXMNL-UHFFFAOYSA-N 2 0 347.463 1.536 20 0 EDADRP CN1CC[N@H+](CC2CC[NH+](C)CC2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000894284716 591265738 /nfs/dbraw/zinc/26/57/38/591265738.db2.gz KLDCUNLMPJBSFC-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP COc1nccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c1F ZINC000895758312 591267137 /nfs/dbraw/zinc/26/71/37/591267137.db2.gz GISDTWVJYKXYJD-UHFFFAOYSA-N 2 0 331.395 1.988 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1cc(NC[C@H]2CC[N@H+]2C)nc2cnccc21 ZINC000895768498 591269151 /nfs/dbraw/zinc/26/91/51/591269151.db2.gz CZKZNVDSHBZORG-ZIAGYGMSSA-N 2 0 326.448 1.862 20 0 EDADRP CN1CCN(c2ncc(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)cn2)CC1 ZINC000895844356 591283173 /nfs/dbraw/zinc/28/31/73/591283173.db2.gz DTPSFBXHAUFJKU-IRXDYDNUSA-N 2 0 331.464 1.229 20 0 EDADRP C[C@H]1CO[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000896017590 591324187 /nfs/dbraw/zinc/32/41/87/591324187.db2.gz MYODPESUWOAQRM-NVXWUHKLSA-N 2 0 332.448 1.135 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CC[C@H]3CN(C(=O)C(F)(F)F)C[C@H]3C2)CC1 ZINC000894721872 591399578 /nfs/dbraw/zinc/39/95/78/591399578.db2.gz GJNGBORJKLEQMU-UONOGXRCSA-N 2 0 333.398 1.671 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324339 591418070 /nfs/dbraw/zinc/41/80/70/591418070.db2.gz ATCGBYCUTMLZSN-DOTOQJQBSA-N 2 0 335.492 1.763 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nc(Cl)nc3nc[nH]c32)C[C@H]1C[NH+](C)C ZINC000894868913 591450923 /nfs/dbraw/zinc/45/09/23/591450923.db2.gz OLTHVBBERIBIAD-GHMZBOCLSA-N 2 0 337.859 1.182 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000896609756 591552305 /nfs/dbraw/zinc/55/23/05/591552305.db2.gz QHYVLUZNUSRIOF-LSDHHAIUSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@H]1CCc2[nH]nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2C1 ZINC000896623721 591552816 /nfs/dbraw/zinc/55/28/16/591552816.db2.gz NMFNUEXMZLNFCV-HNNXBMFYSA-N 2 0 349.523 1.880 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000896670205 591568429 /nfs/dbraw/zinc/56/84/29/591568429.db2.gz KJVUHVSLILURSH-QZTJIDSGSA-N 2 0 333.476 1.764 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000896747741 591601423 /nfs/dbraw/zinc/60/14/23/591601423.db2.gz HMPKDOGJHINRJX-IXDOHACOSA-N 2 0 336.480 1.118 20 0 EDADRP O=c1cc[nH]c2cc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)ccc12 ZINC000895204075 591655589 /nfs/dbraw/zinc/65/55/89/591655589.db2.gz CWGXQSUKNJSCMH-MRXNPFEDSA-N 2 0 327.428 1.871 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000898274513 591849060 /nfs/dbraw/zinc/84/90/60/591849060.db2.gz CPJAXHWXWWDDAD-GBESFXJTSA-N 2 0 343.471 1.583 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000900007751 591865431 /nfs/dbraw/zinc/86/54/31/591865431.db2.gz SDOWARSJXAKBKQ-HXUWFJFHSA-N 2 0 347.503 1.991 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)CC1 ZINC000900018177 591869754 /nfs/dbraw/zinc/86/97/54/591869754.db2.gz BQGDMTJNCBOPIJ-IBGZPJMESA-N 2 0 346.519 1.822 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000900071878 591887923 /nfs/dbraw/zinc/88/79/23/591887923.db2.gz QDLFVWSWAPRYKL-INIZCTEOSA-N 2 0 344.459 1.098 20 0 EDADRP COc1cn(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(C)cc1=O ZINC000902057718 591910189 /nfs/dbraw/zinc/91/01/89/591910189.db2.gz INTASNYZADBDBY-UHFFFAOYSA-N 2 0 335.448 1.167 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900182805 591932102 /nfs/dbraw/zinc/93/21/02/591932102.db2.gz MTEDJRQSBMRVGF-ICSRJNTNSA-N 2 0 345.487 1.484 20 0 EDADRP COCC[C@@H]1CCN(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1=O ZINC000902196862 591942902 /nfs/dbraw/zinc/94/29/02/591942902.db2.gz TUGRYAGILRSOMD-YLFCFFPRSA-N 2 0 339.480 1.012 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000899813400 591948483 /nfs/dbraw/zinc/94/84/83/591948483.db2.gz VOXJFQYVCZREKE-OAHLLOKOSA-N 2 0 344.459 1.230 20 0 EDADRP CCn1cnc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000902299715 591969965 /nfs/dbraw/zinc/96/99/65/591969965.db2.gz FQMYTSQMPUPEGY-UHFFFAOYSA-N 2 0 335.496 1.619 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@]2(CCCOC2)C1=O ZINC000902359636 591986181 /nfs/dbraw/zinc/98/61/81/591986181.db2.gz FOFCRTXNGBNVTG-IBGZPJMESA-N 2 0 337.508 1.883 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)s1 ZINC000902362271 591986923 /nfs/dbraw/zinc/98/69/23/591986923.db2.gz PPMJEKIJFVTCOR-ZDUSSCGKSA-N 2 0 345.534 1.703 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000900408265 592010957 /nfs/dbraw/zinc/01/09/57/592010957.db2.gz YDNZZJILLFURCX-UHFFFAOYSA-N 2 0 347.507 1.783 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)C[C@@]2(O)CCC[N@H+](C)C2)c1 ZINC000900456001 592022906 /nfs/dbraw/zinc/02/29/06/592022906.db2.gz HIGRHEGVOLQVIC-SFHVURJKSA-N 2 0 335.448 1.412 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900536698 592050472 /nfs/dbraw/zinc/05/04/72/592050472.db2.gz ADIOQKUFCJLVIL-LJQANCHMSA-N 2 0 349.475 1.090 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902786357 592063758 /nfs/dbraw/zinc/06/37/58/592063758.db2.gz MUEZWVGMGNGCPU-KHHDSSOXSA-N 2 0 335.492 1.332 20 0 EDADRP CCCCC[C@@H](C)NC(=O)CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902809528 592067744 /nfs/dbraw/zinc/06/77/44/592067744.db2.gz FYHPTTLJYTYCOV-QLFBSQMISA-N 2 0 340.468 1.433 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900656351 592082388 /nfs/dbraw/zinc/08/23/88/592082388.db2.gz KFLITXZPCZIKSC-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000900725351 592105570 /nfs/dbraw/zinc/10/55/70/592105570.db2.gz KCALDCQPDSDGPL-SFHVURJKSA-N 2 0 338.540 1.593 20 0 EDADRP CO[C@H]1CCC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000903088723 592117745 /nfs/dbraw/zinc/11/77/45/592117745.db2.gz MEESCONVOOUFSM-IRXDYDNUSA-N 2 0 333.480 1.536 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CCO[C@]34CCOC4)CC2)cc[nH+]1 ZINC000903088511 592117829 /nfs/dbraw/zinc/11/78/29/592117829.db2.gz ZMDYVDJEMFVGDD-MOPGFXCFSA-N 2 0 346.475 1.131 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCOC23CCCC3)(N2CCOCC2)CC1 ZINC000903187292 592135659 /nfs/dbraw/zinc/13/56/59/592135659.db2.gz ZXWZOTAADQIQNY-QGZVFWFLSA-N 2 0 337.508 1.474 20 0 EDADRP C[C@H]([NH2+]CCCc1nnnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000903344484 592156118 /nfs/dbraw/zinc/15/61/18/592156118.db2.gz PDRIKACQDLWCSC-AWEZNQCLSA-N 2 0 332.452 1.434 20 0 EDADRP CN(Cc1ccccc1)C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903430948 592168385 /nfs/dbraw/zinc/16/83/85/592168385.db2.gz KEUUJYRUSZAREA-MSOLQXFVSA-N 2 0 330.476 1.983 20 0 EDADRP CCOc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903431431 592168516 /nfs/dbraw/zinc/16/85/16/592168516.db2.gz NYXTUJIQERSVDS-CVEARBPZSA-N 2 0 331.460 1.971 20 0 EDADRP C[C@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903441062 592170155 /nfs/dbraw/zinc/17/01/55/592170155.db2.gz IPVJEHOXGKURPZ-FJIDUMEYSA-N 2 0 336.524 1.236 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900931248 592177038 /nfs/dbraw/zinc/17/70/38/592177038.db2.gz DXOOTTQIUNBWBS-RYQLBKOJSA-N 2 0 337.508 1.555 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccccc1C)C2 ZINC000903491096 592184514 /nfs/dbraw/zinc/18/45/14/592184514.db2.gz UXTHGOIWPHBPDW-IYOUNJFTSA-N 2 0 331.416 1.146 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)Nc1ccccc1)C2 ZINC000903492376 592185191 /nfs/dbraw/zinc/18/51/91/592185191.db2.gz OGYMOMULYSWYNZ-NPSOMJIGSA-N 2 0 331.416 1.226 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903494957 592186961 /nfs/dbraw/zinc/18/69/61/592186961.db2.gz SJMAIVCFHAYIQZ-OZVIIMIRSA-N 2 0 338.429 1.247 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3CC[C@@]32C[NH3+])cc1 ZINC000903536591 592199254 /nfs/dbraw/zinc/19/92/54/592199254.db2.gz GBGMURJHUVCTOQ-NVXWUHKLSA-N 2 0 337.489 1.640 20 0 EDADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCCCCC1CC[NH2+]CC1 ZINC000903562021 592210759 /nfs/dbraw/zinc/21/07/59/592210759.db2.gz VCSFIHIQTGCEES-UHFFFAOYSA-N 2 0 346.541 1.065 20 0 EDADRP Cc1ccc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c(OCC[NH+](C)C)c1 ZINC000904346974 592236335 /nfs/dbraw/zinc/23/63/35/592236335.db2.gz ALWZHQCNVOSRPR-IJEWVQPXSA-N 2 0 332.448 1.950 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000904359616 592237760 /nfs/dbraw/zinc/23/77/60/592237760.db2.gz DLXRDGYLAVJHTA-GOSISDBHSA-N 2 0 345.447 1.207 20 0 EDADRP c1ccc(OCc2cccnc2)c(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000904397029 592244038 /nfs/dbraw/zinc/24/40/38/592244038.db2.gz WJFOGYOQLXDSSJ-UHFFFAOYSA-N 2 0 326.444 1.655 20 0 EDADRP COCCN(C)c1ccc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cn1 ZINC000904393540 592244454 /nfs/dbraw/zinc/24/44/54/592244454.db2.gz XBZNLHPTVXFAII-KRWDZBQOSA-N 2 0 348.491 1.494 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906663446 592246160 /nfs/dbraw/zinc/24/61/60/592246160.db2.gz FDXPHKIHODSLBD-UHFFFAOYSA-N 2 0 330.432 1.171 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665719 592247920 /nfs/dbraw/zinc/24/79/20/592247920.db2.gz DFKNCCCQTVUFOW-OAHLLOKOSA-N 2 0 332.448 1.320 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000904509389 592273796 /nfs/dbraw/zinc/27/37/96/592273796.db2.gz JEDAEKFYTXGUPP-ZWKOTPCHSA-N 2 0 346.475 1.859 20 0 EDADRP C[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1COc2ccccc2O1 ZINC000903718679 592280717 /nfs/dbraw/zinc/28/07/17/592280717.db2.gz QOZRGYSEINEGOS-HZPDHXFCSA-N 2 0 332.444 1.917 20 0 EDADRP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903724187 592284253 /nfs/dbraw/zinc/28/42/53/592284253.db2.gz LSHJZSKFFCPGPP-QUCCMNQESA-N 2 0 343.471 1.779 20 0 EDADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903732464 592288232 /nfs/dbraw/zinc/28/82/32/592288232.db2.gz DWFJNRUHSNTCPN-JTDSTZFVSA-N 2 0 341.459 1.677 20 0 EDADRP CCOc1ccccc1N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732338 592288365 /nfs/dbraw/zinc/28/83/65/592288365.db2.gz DMEFUCHGDYBNHE-PXNSSMCTSA-N 2 0 345.487 1.976 20 0 EDADRP CC[NH+](CC)CCOc1cccc(NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000904618169 592290389 /nfs/dbraw/zinc/29/03/89/592290389.db2.gz UYDYVNTYLQZBPF-HOTGVXAUSA-N 2 0 332.448 1.985 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC000901242234 592301115 /nfs/dbraw/zinc/30/11/15/592301115.db2.gz YHKSUPXHEXFOPB-UHFFFAOYSA-N 2 0 334.508 1.099 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903764313 592309252 /nfs/dbraw/zinc/30/92/52/592309252.db2.gz RDTFFJLCDTYKCE-MRXNPFEDSA-N 2 0 325.497 1.188 20 0 EDADRP Cc1cnc(OC2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903768872 592309844 /nfs/dbraw/zinc/30/98/44/592309844.db2.gz UDVONIQSHISKAG-AEFFLSMTSA-N 2 0 332.448 1.397 20 0 EDADRP [NH3+]CC1([C@H]2CCCC[N@@H+]2[C@H]2CCN(C3CCOCC3)C2=O)CCC1 ZINC000903814613 592324636 /nfs/dbraw/zinc/32/46/36/592324636.db2.gz NTFMMDQSUSSOKM-DLBZAZTESA-N 2 0 335.492 1.750 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1)C(C)C ZINC000903808965 592330151 /nfs/dbraw/zinc/33/01/51/592330151.db2.gz LOTRFUNREDSMKP-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000903823262 592334647 /nfs/dbraw/zinc/33/46/47/592334647.db2.gz FNGYLVWFTQGVFU-HNNXBMFYSA-N 2 0 325.840 1.510 20 0 EDADRP CCn1cc(C2CC[NH+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)cn1 ZINC000903889191 592350859 /nfs/dbraw/zinc/35/08/59/592350859.db2.gz PRNPOUNHXHXDPL-MRXNPFEDSA-N 2 0 344.507 1.942 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cnn1C ZINC000903889638 592350913 /nfs/dbraw/zinc/35/09/13/592350913.db2.gz URYHKKGHJPOTSB-DLBZAZTESA-N 2 0 342.491 1.675 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CC[NH+](CC2CCCCC2)CC1 ZINC000903880919 592360749 /nfs/dbraw/zinc/36/07/49/592360749.db2.gz XIRXFECGVZKBMM-SFHVURJKSA-N 2 0 346.523 1.901 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@@H]2CCCc3c2cnn3C)cnn1C ZINC000903897877 592368441 /nfs/dbraw/zinc/36/84/41/592368441.db2.gz KAWOHCBCUBXOHR-RHSMWYFYSA-N 2 0 330.480 1.589 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([C@H](O)c3ncc[nH]3)CC2)cnn1C ZINC000903913187 592376389 /nfs/dbraw/zinc/37/63/89/592376389.db2.gz ARDOIHCPMPCOFH-YOEHRIQHSA-N 2 0 346.479 1.015 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@@H](O)C[C@@H]2c2ccccc2)cnn1C ZINC000903929842 592381934 /nfs/dbraw/zinc/38/19/34/592381934.db2.gz MMMYAUUDOYTBOQ-AYOQOUSVSA-N 2 0 328.460 1.654 20 0 EDADRP O=C1CC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCCCN1 ZINC000903936363 592386190 /nfs/dbraw/zinc/38/61/90/592386190.db2.gz ZUJZKMUCPQKVKJ-OAHLLOKOSA-N 2 0 334.468 1.085 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)cnn1C ZINC000903937418 592387352 /nfs/dbraw/zinc/38/73/52/592387352.db2.gz KNVUJQYNNYGTFZ-WMZOPIPTSA-N 3 0 333.524 1.748 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)CCN(C)C)C1 ZINC000908240516 592401253 /nfs/dbraw/zinc/40/12/53/592401253.db2.gz WVFKLRBCFODNBM-QGZVFWFLSA-N 2 0 326.529 1.450 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CCCCN1Cc1ccccc1)C[C@]1(O)CCOC1 ZINC000905071047 592402301 /nfs/dbraw/zinc/40/23/01/592402301.db2.gz MTFCKRDDOAGUSB-HSALFYBXSA-N 2 0 348.487 1.533 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905098485 592404484 /nfs/dbraw/zinc/40/44/84/592404484.db2.gz SSYSUIKFJISLFR-SLFFLAALSA-N 2 0 348.487 1.043 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(O)CCCCC3)C2)CC1 ZINC000905112113 592412769 /nfs/dbraw/zinc/41/27/69/592412769.db2.gz YMECSOTYOLVPJV-AEFFLSMTSA-N 2 0 339.524 1.191 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905294734 592487454 /nfs/dbraw/zinc/48/74/54/592487454.db2.gz JSCSHXWMCVGKNJ-VQTJNVASSA-N 2 0 349.519 1.477 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000907068216 592504051 /nfs/dbraw/zinc/50/40/51/592504051.db2.gz LQOAVQOKAXUNHN-SJORKVTESA-N 2 0 325.497 1.462 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC2(C)CC[NH+](C)CC2)CC1 ZINC000907260075 592574858 /nfs/dbraw/zinc/57/48/58/592574858.db2.gz IFUOPHUMLAQZDF-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2c2cc(NC[C@H](C)O)ncn2)cc1 ZINC000905653086 592597472 /nfs/dbraw/zinc/59/74/72/592597472.db2.gz JCATVXFYKHLCLB-BBRMVZONSA-N 2 0 343.431 1.429 20 0 EDADRP CC1(C)CC[N@H+](CCNC[C@H](O)C[NH+]2CCc3ccccc3C2)C1 ZINC000905680108 592609998 /nfs/dbraw/zinc/60/99/98/592609998.db2.gz VCYDGPVTASKDIP-IBGZPJMESA-N 2 0 331.504 1.727 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000907456710 592665048 /nfs/dbraw/zinc/66/50/48/592665048.db2.gz OGJMGJSGGDQTPI-DLBZAZTESA-N 2 0 336.524 1.536 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000907742805 592768208 /nfs/dbraw/zinc/76/82/08/592768208.db2.gz GYPVLXOPXRUFFD-ADKAHSJRSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@@H](C(=O)N[C@@H](CN(C)C(=O)[C@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000907716740 592769516 /nfs/dbraw/zinc/76/95/16/592769516.db2.gz KCOPXQHQCFNBLJ-JYJNAYRXSA-N 2 0 342.528 1.266 20 0 EDADRP CN(CCC[NH+]1CCN(C)CC1)Cc1cn(-c2ccccc2F)nn1 ZINC000906290705 592781684 /nfs/dbraw/zinc/78/16/84/592781684.db2.gz RGYMZMWZLXDXEF-UHFFFAOYSA-N 2 0 346.454 1.476 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000906641310 592864855 /nfs/dbraw/zinc/86/48/55/592864855.db2.gz FQYZUGGNIAZAJY-MSOLQXFVSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])C[NH+]1CCCCC1 ZINC000906644432 592865438 /nfs/dbraw/zinc/86/54/38/592865438.db2.gz APSULSGMVIYPGP-CQSZACIVSA-N 2 0 332.448 1.322 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C(=O)Nc1ccccc1C[NH3+])c1ccccc1 ZINC000906645198 592865683 /nfs/dbraw/zinc/86/56/83/592865683.db2.gz SEQCDIWQKPJYJI-KRWDZBQOSA-N 2 0 340.427 1.503 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645902 592865714 /nfs/dbraw/zinc/86/57/14/592865714.db2.gz MSWXVJWZVNQFAG-ZNMIVQPWSA-N 2 0 346.475 1.566 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@H]1C[C@H](C[NH3+])C1)c1ccccc1 ZINC000911216094 592958368 /nfs/dbraw/zinc/95/83/68/592958368.db2.gz NQBHQGAXEHMZBQ-IIAWOOMASA-N 2 0 346.475 1.086 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000911231153 592970968 /nfs/dbraw/zinc/97/09/68/592970968.db2.gz VGQWWODDRFJPLA-HOTGVXAUSA-N 2 0 340.512 1.055 20 0 EDADRP CN(C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)C1CC[NH2+]CC1 ZINC000911692973 592983515 /nfs/dbraw/zinc/98/35/15/592983515.db2.gz CVJJUOAUMYEYJW-LLVKDONJSA-N 2 0 329.366 1.574 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1=CCC[NH2+]CC1 ZINC000911736319 592992769 /nfs/dbraw/zinc/99/27/69/592992769.db2.gz QDEKZHMDUFWVHP-UHFFFAOYSA-N 2 0 343.427 1.844 20 0 EDADRP C[NH2+]C1CC(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000911736627 592993313 /nfs/dbraw/zinc/99/33/13/592993313.db2.gz WALVIDYCYRAOQE-UHFFFAOYSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000911751128 592997543 /nfs/dbraw/zinc/99/75/43/592997543.db2.gz IXIQZYFKCMKUDN-RBSFLKMASA-N 2 0 345.443 1.780 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=NO[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000911762816 592999678 /nfs/dbraw/zinc/99/96/78/592999678.db2.gz DGBSJSCAPJCQBB-LPHOPBHVSA-N 2 0 344.459 1.825 20 0 EDADRP C[C@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)[C@@H]1C[NH3+] ZINC000911826744 593017768 /nfs/dbraw/zinc/01/77/68/593017768.db2.gz RSSNCRGSRQINMD-GXTWGEPZSA-N 2 0 336.505 1.885 20 0 EDADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911846087 593025465 /nfs/dbraw/zinc/02/54/65/593025465.db2.gz LJBHTTGLPYQYJG-HXUWFJFHSA-N 2 0 343.471 1.786 20 0 EDADRP CC[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)N1CCO[C@H](CC)C1 ZINC000911875018 593029024 /nfs/dbraw/zinc/02/90/24/593029024.db2.gz IOWGEJUYUUGIEN-WBVHZDCISA-N 2 0 341.496 1.232 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000912583322 593106171 /nfs/dbraw/zinc/10/61/71/593106171.db2.gz DHROHEIBCCGHTG-SJORKVTESA-N 2 0 337.508 1.602 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000912587922 593106574 /nfs/dbraw/zinc/10/65/74/593106574.db2.gz IDWCKLMANDDOII-KRWDZBQOSA-N 2 0 339.524 1.850 20 0 EDADRP CON(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000838994607 593248490 /nfs/dbraw/zinc/24/84/90/593248490.db2.gz DXHWYANFKFDUIC-UHFFFAOYSA-N 2 0 328.416 1.767 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)C(=O)NCC[NH+](C)C ZINC000809630097 593350495 /nfs/dbraw/zinc/35/04/95/593350495.db2.gz LJDMZYRFNOFXIT-JSGCOSHPSA-N 2 0 342.509 1.379 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(C2OCCO2)s1 ZINC000809634029 593350917 /nfs/dbraw/zinc/35/09/17/593350917.db2.gz PEGPPOODQYMOEN-GFCCVEGCSA-N 2 0 329.466 1.635 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000810542216 593410881 /nfs/dbraw/zinc/41/08/81/593410881.db2.gz KTGUELAVUDPNRO-SFHVURJKSA-N 2 0 343.487 1.550 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2ccccc2C)CC[NH2+]CC1 ZINC000817890724 593645758 /nfs/dbraw/zinc/64/57/58/593645758.db2.gz YATJOLNRPWZGQM-DOTOQJQBSA-N 2 0 334.460 1.939 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(Br)nc1 ZINC000817935570 593650324 /nfs/dbraw/zinc/65/03/24/593650324.db2.gz IYINKYDCZWKGCF-LBPRGKRZSA-N 2 0 327.270 1.790 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000818980554 593731920 /nfs/dbraw/zinc/73/19/20/593731920.db2.gz LCITWMDMEHWGLG-RHSMWYFYSA-N 2 0 340.489 1.445 20 0 EDADRP Cc1ccccc1[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000818980646 593732030 /nfs/dbraw/zinc/73/20/30/593732030.db2.gz GSKSSAFILLFXSZ-IBGZPJMESA-N 2 0 340.471 1.965 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000819058093 593736406 /nfs/dbraw/zinc/73/64/06/593736406.db2.gz FFNSXXURPWCFKL-PBHICJAKSA-N 2 0 325.884 1.847 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H](O)c2cccc(F)c2)ccn1 ZINC000819195960 593743796 /nfs/dbraw/zinc/74/37/96/593743796.db2.gz NFTHJRSAOFRHNK-QGZVFWFLSA-N 2 0 333.407 1.984 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000821754105 593930258 /nfs/dbraw/zinc/93/02/58/593930258.db2.gz UVZZLGDXEGMSBB-RUYXUALKSA-N 2 0 345.487 1.578 20 0 EDADRP C[C@H](CNC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1)[NH+](C)C ZINC000824427063 594008919 /nfs/dbraw/zinc/00/89/19/594008919.db2.gz KXUXCAGSPNOIRK-CQSZACIVSA-N 2 0 343.479 1.371 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568795 594039938 /nfs/dbraw/zinc/03/99/38/594039938.db2.gz CVHJYRIMAXWLKX-CQSZACIVSA-N 2 0 343.479 1.543 20 0 EDADRP CCN1CCO[C@H](CNc2nc3c(cc2-c2nn[nH]n2)CCCC3)C1 ZINC000825465347 594189396 /nfs/dbraw/zinc/18/93/96/594189396.db2.gz KMRPZYGPTRPTIY-CYBMUJFWSA-N 2 0 343.435 1.273 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(-c2nn[nH]n2)c1F ZINC000826038337 594313216 /nfs/dbraw/zinc/31/32/16/594313216.db2.gz KDDWFDJKZVBOGM-UHFFFAOYSA-N 2 0 347.442 1.075 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000831127136 594563309 /nfs/dbraw/zinc/56/33/09/594563309.db2.gz CUCVPSMEESSYHZ-LZLYRXPVSA-N 2 0 344.459 1.117 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@]1(F)CC[NH2+]C1 ZINC000832054561 594722493 /nfs/dbraw/zinc/72/24/93/594722493.db2.gz ORPZKNOMKJBFHN-FUHWJXTLSA-N 2 0 335.423 1.095 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]Cc2ccc(CC[NH3+])cc2)cn1 ZINC000841032889 594841967 /nfs/dbraw/zinc/84/19/67/594841967.db2.gz HEXIWKCXDOYBKZ-UHFFFAOYSA-N 2 0 328.460 1.955 20 0 EDADRP Cc1nn(Cc2ccccc2)c(Cl)c1C[NH2+]CCN1CC[NH2+]CC1 ZINC000841045460 594843803 /nfs/dbraw/zinc/84/38/03/594843803.db2.gz VVAFYVMDWJMXTI-UHFFFAOYSA-N 2 0 347.894 1.888 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000841100084 594850857 /nfs/dbraw/zinc/85/08/57/594850857.db2.gz TZLVUWUWEWGILI-HKUYNNGSSA-N 2 0 341.459 1.986 20 0 EDADRP O=C(C[NH2+]CC1CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847883 594964807 /nfs/dbraw/zinc/96/48/07/594964807.db2.gz XHCMKSMZJBMTLC-UHFFFAOYSA-N 2 0 331.416 1.534 20 0 EDADRP COC[C@@]1(CNC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)CCC[NH2+]1 ZINC000841850917 594965359 /nfs/dbraw/zinc/96/53/59/594965359.db2.gz IVBLXBWIMQEMIF-BBRMVZONSA-N 2 0 340.855 1.318 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(CC[NH3+])cc3)CC[C@H]21 ZINC000841929896 594983847 /nfs/dbraw/zinc/98/38/47/594983847.db2.gz VKEINKRDYOSYOZ-ZWKOTPCHSA-N 2 0 330.476 1.814 20 0 EDADRP COc1cc(-c2noc(C[C@@H]([NH3+])C3CC3)n2)ccc1OCC[NH+](C)C ZINC000843201076 595031818 /nfs/dbraw/zinc/03/18/18/595031818.db2.gz OENXHIBKEHKNSQ-CQSZACIVSA-N 2 0 346.431 1.965 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000843353021 595084524 /nfs/dbraw/zinc/08/45/24/595084524.db2.gz RILIDHRFKTWFCU-LBPRGKRZSA-N 2 0 345.447 1.917 20 0 EDADRP COCCOc1cccc(CNC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843354984 595085471 /nfs/dbraw/zinc/08/54/71/595085471.db2.gz HTTFPHNLPVIJNY-UHFFFAOYSA-N 2 0 349.475 1.530 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843488820 595127232 /nfs/dbraw/zinc/12/72/32/595127232.db2.gz QYNUCAJLWFBRLT-LJQANCHMSA-N 2 0 347.503 1.778 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000834564480 595163563 /nfs/dbraw/zinc/16/35/63/595163563.db2.gz LBZYLQAELLQKGE-SJORKVTESA-N 2 0 329.460 1.114 20 0 EDADRP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000846217898 595176549 /nfs/dbraw/zinc/17/65/49/595176549.db2.gz IFDHILLOKSEFDE-OAHLLOKOSA-N 2 0 341.377 1.927 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000843074441 595281201 /nfs/dbraw/zinc/28/12/01/595281201.db2.gz ZTWSXGMRVPLMEG-YOEHRIQHSA-N 2 0 328.403 1.825 20 0 EDADRP OCCCN1CCC[C@H]1C[NH2+]C[C@H](O)c1ccc(F)cc1Cl ZINC000843085994 595283474 /nfs/dbraw/zinc/28/34/74/595283474.db2.gz FFWLECNYIZXXAS-BBRMVZONSA-N 2 0 330.831 1.949 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000844169757 595289626 /nfs/dbraw/zinc/28/96/26/595289626.db2.gz CPKKLFPYTSKEOI-SFHVURJKSA-N 2 0 349.450 1.675 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844169735 595289825 /nfs/dbraw/zinc/28/98/25/595289825.db2.gz QDRQTRYPVPYPDY-GOSISDBHSA-N 2 0 333.476 1.913 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000844170942 595290471 /nfs/dbraw/zinc/29/04/71/595290471.db2.gz UYKQUDKIUZJRIF-ZACQAIPSSA-N 2 0 325.497 1.629 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173309 595291501 /nfs/dbraw/zinc/29/15/01/595291501.db2.gz TZNXUPVHQIGMAS-ZWKOTPCHSA-N 2 0 331.460 1.536 20 0 EDADRP [NH3+][C@@H](CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1CC1 ZINC000844184904 595296017 /nfs/dbraw/zinc/29/60/17/595296017.db2.gz FCNXOFJZGUFIFO-KRWDZBQOSA-N 2 0 344.459 1.578 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844186056 595296088 /nfs/dbraw/zinc/29/60/88/595296088.db2.gz FGEPNDTZKQYXGR-NZSAHSFTSA-N 2 0 345.487 1.782 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000844954334 595419751 /nfs/dbraw/zinc/41/97/51/595419751.db2.gz PSLAMZOXBTXHRJ-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NC[C@H]2C[N@H+](CC(C)C)CCO2)cc1 ZINC000849013280 595475049 /nfs/dbraw/zinc/47/50/49/595475049.db2.gz ZYTMNTWSRHMYLN-SFHVURJKSA-N 2 0 348.491 1.708 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000849070983 595477873 /nfs/dbraw/zinc/47/78/73/595477873.db2.gz BNOZKIHIXBYNNO-KRWDZBQOSA-N 2 0 343.475 1.677 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000849074469 595478237 /nfs/dbraw/zinc/47/82/37/595478237.db2.gz QCVPNESVSQVPKE-NSHDSACASA-N 2 0 332.374 1.544 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000845508269 595509426 /nfs/dbraw/zinc/50/94/26/595509426.db2.gz TWNVKFPBNBJMSL-ZIAGYGMSSA-N 2 0 342.484 1.042 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(CCCNC(=O)OC(C)(C)C)CCO1 ZINC000852762404 595532302 /nfs/dbraw/zinc/53/23/02/595532302.db2.gz MPHKBOZYCZRBDL-HNNXBMFYSA-N 2 0 329.485 1.944 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495932 595550709 /nfs/dbraw/zinc/55/07/09/595550709.db2.gz GXQHVZKTDQSJOE-OIISXLGYSA-N 2 0 335.496 1.300 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852857964 595579168 /nfs/dbraw/zinc/57/91/68/595579168.db2.gz LKJCNGQKMJLYSI-PBHICJAKSA-N 2 0 344.459 1.781 20 0 EDADRP CC[C@H](CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000852858872 595581183 /nfs/dbraw/zinc/58/11/83/595581183.db2.gz JTCKBDXGQRMAGV-HZPDHXFCSA-N 2 0 330.432 1.043 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879222 595594930 /nfs/dbraw/zinc/59/49/30/595594930.db2.gz SMIXBKILGKEMRN-XYJFISCASA-N 2 0 344.459 1.289 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884483 595597546 /nfs/dbraw/zinc/59/75/46/595597546.db2.gz ZTKBVDYRYCRNQD-AWEZNQCLSA-N 2 0 338.839 1.334 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@@H]2COC(C)(C)O2)CC1 ZINC000851763894 595913849 /nfs/dbraw/zinc/91/38/49/595913849.db2.gz YDIJQIPSHMFMMO-DLBZAZTESA-N 2 0 325.497 1.630 20 0 EDADRP [NH3+]CCn1cc(-c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)nn1 ZINC000854135406 595986618 /nfs/dbraw/zinc/98/66/18/595986618.db2.gz CLLGBWZEWYFINV-UHFFFAOYSA-N 2 0 339.403 1.550 20 0 EDADRP COC(=O)CCN1CC[C@@H]([N@H+](C)Cc2ccc(C[NH+](C)C)cc2)C1=O ZINC000859213463 596005542 /nfs/dbraw/zinc/00/55/42/596005542.db2.gz NXHDPDGPVMNRKH-QGZVFWFLSA-N 2 0 347.459 1.344 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000854221669 596006755 /nfs/dbraw/zinc/00/67/55/596006755.db2.gz RIDDROOLSQXJOA-QZTJIDSGSA-N 2 0 346.475 1.177 20 0 EDADRP CCNC(=O)CC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591102 596025370 /nfs/dbraw/zinc/02/53/70/596025370.db2.gz IBCRIPNWAKKCKB-KRWDZBQOSA-N 2 0 334.464 1.513 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cncn3)C2)ccn1 ZINC000856599482 596029676 /nfs/dbraw/zinc/02/96/76/596029676.db2.gz JNOQHFCJQYVIRV-SFHVURJKSA-N 2 0 344.463 1.667 20 0 EDADRP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCN2CC[NH+](C)CC2)n(C)n1 ZINC000852658624 596221313 /nfs/dbraw/zinc/22/13/13/596221313.db2.gz ZZNZWPPVOKMPIG-MJGOQNOKSA-N 2 0 333.524 1.667 20 0 EDADRP Cc1c(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)ccnc1F ZINC000862273674 596294318 /nfs/dbraw/zinc/29/43/18/596294318.db2.gz OINVBDUYCCIKNJ-UHFFFAOYSA-N 2 0 329.423 1.966 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866712706 596305219 /nfs/dbraw/zinc/30/52/19/596305219.db2.gz VWDZUVZZCIBTEA-VVLHAWIVSA-N 2 0 331.416 1.241 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000868791621 596307433 /nfs/dbraw/zinc/30/74/33/596307433.db2.gz RHHFFBOFKOPSOP-ZWKOTPCHSA-N 2 0 334.508 1.844 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[NH2+]1 ZINC000870913169 596400940 /nfs/dbraw/zinc/40/09/40/596400940.db2.gz RPUAYVKZNHNORW-KGLIPLIRSA-N 2 0 340.265 1.905 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Br)c1)C1CC1 ZINC000870921458 596406128 /nfs/dbraw/zinc/40/61/28/596406128.db2.gz PILJVIDYIDPMFI-UONOGXRCSA-N 2 0 340.265 1.905 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2csc(C3CC[NH2+]CC3)n2)C[N@@H+]1C1CC1 ZINC000870928396 596409151 /nfs/dbraw/zinc/40/91/51/596409151.db2.gz FRHWTPQOVATTTD-WCQYABFASA-N 2 0 334.489 1.965 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000870955789 596417269 /nfs/dbraw/zinc/41/72/69/596417269.db2.gz XTCBQIXNIQVSGA-UHFFFAOYSA-N 2 0 342.487 1.942 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)C3CC[NH2+]CC3)cc2)CC1 ZINC000870986196 596430494 /nfs/dbraw/zinc/43/04/94/596430494.db2.gz IHYTXZSYNSJEBX-INIZCTEOSA-N 2 0 344.503 1.946 20 0 EDADRP C[N@@H+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CCC1(C)C ZINC000871153215 596480615 /nfs/dbraw/zinc/48/06/15/596480615.db2.gz BQXBSMPIEYXXNI-UHFFFAOYSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@@H](C[NH2+]Cc1cccnc1Br)N1CC[NH+](C)CC1 ZINC000865450844 596579607 /nfs/dbraw/zinc/57/96/07/596579607.db2.gz VSSGPIVAVKKEGR-LBPRGKRZSA-N 2 0 327.270 1.570 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000863548813 596614828 /nfs/dbraw/zinc/61/48/28/596614828.db2.gz XVZOHFZXFJLUQY-DLBZAZTESA-N 3 0 336.480 1.023 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000863555945 596617695 /nfs/dbraw/zinc/61/76/95/596617695.db2.gz KGVOLZAYNUJLMT-LJQANCHMSA-N 2 0 332.492 1.697 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000869779320 596631282 /nfs/dbraw/zinc/63/12/82/596631282.db2.gz YWGWFJNHWJXLSS-DOTOQJQBSA-N 2 0 337.508 1.745 20 0 EDADRP Cc1cc(F)ccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863641777 596640770 /nfs/dbraw/zinc/64/07/70/596640770.db2.gz BUYNDXLDFMMWRB-SJORKVTESA-N 2 0 333.407 1.891 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000868127716 596695881 /nfs/dbraw/zinc/69/58/81/596695881.db2.gz HBAZGQCZRKEOEF-BTTYYORXSA-N 2 0 326.404 1.919 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000868130278 596696718 /nfs/dbraw/zinc/69/67/18/596696718.db2.gz JGQTYNZXOKAYNG-GOEBONIOSA-N 2 0 345.447 1.205 20 0 EDADRP Cc1ncc(/C=C\C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870016773 596708851 /nfs/dbraw/zinc/70/88/51/596708851.db2.gz ZBPDYCIDIIYPOL-YOVCOIKASA-N 2 0 336.505 1.663 20 0 EDADRP COc1cc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1O ZINC000870017787 596710103 /nfs/dbraw/zinc/71/01/03/596710103.db2.gz RJBMPMBSJAPYGH-HZPDHXFCSA-N 2 0 349.475 1.141 20 0 EDADRP CCCOc1cccnc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019746 596711250 /nfs/dbraw/zinc/71/12/50/596711250.db2.gz OKWLQWATPZADHF-HZPDHXFCSA-N 2 0 348.491 1.682 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(F)c(F)cc2F)C[C@H]1C[NH+](C)C ZINC000870020085 596711280 /nfs/dbraw/zinc/71/12/80/596711280.db2.gz BSRWUENKZMDMRX-VXGBXAGGSA-N 2 0 343.393 1.915 20 0 EDADRP CCC[C@H]1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870021536 596712008 /nfs/dbraw/zinc/71/20/08/596712008.db2.gz HEWOKUNPRVDUJH-MLHJIOFPSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC000119709384 596712506 /nfs/dbraw/zinc/71/25/06/596712506.db2.gz QRQZTLLZNNBHGC-UHFFFAOYSA-N 2 0 332.448 2.000 20 0 EDADRP Cc1c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cnn1C(C)C ZINC000870022149 596712615 /nfs/dbraw/zinc/71/26/15/596712615.db2.gz PBZRXJBNZZIONF-HZPDHXFCSA-N 2 0 335.496 1.584 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)n1 ZINC000868181228 596713960 /nfs/dbraw/zinc/71/39/60/596713960.db2.gz GKUXTKPLYODQCN-LSDHHAIUSA-N 2 0 328.420 1.903 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871821884 596715096 /nfs/dbraw/zinc/71/50/96/596715096.db2.gz ASBCDFQKKDJAOY-DOTOQJQBSA-N 2 0 345.553 1.888 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868185828 596715328 /nfs/dbraw/zinc/71/53/28/596715328.db2.gz CWFBYBKMQGPCNF-JKSUJKDBSA-N 2 0 332.448 1.422 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC000868215782 596728126 /nfs/dbraw/zinc/72/81/26/596728126.db2.gz BPWDFOJQEFZEIP-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(I)n1 ZINC000864050366 596744269 /nfs/dbraw/zinc/74/42/69/596744269.db2.gz FCCIJBWAZQZWNL-JGZJWPJOSA-N 2 0 348.232 1.455 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)c1 ZINC000866031970 596766073 /nfs/dbraw/zinc/76/60/73/596766073.db2.gz JPELBSANHLTZKI-INIZCTEOSA-N 2 0 334.464 1.715 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2C[C@@H]3CCC[C@H]3O2)C1)[C@H]1CCC[NH2+]1 ZINC000872142763 596808924 /nfs/dbraw/zinc/80/89/24/596808924.db2.gz CNLGHIKEAKPNIZ-NNPSNHGLSA-N 2 0 335.492 1.524 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000872145934 596810041 /nfs/dbraw/zinc/81/00/41/596810041.db2.gz ZPKPZAYCUJPUCV-KURKYZTESA-N 2 0 338.492 1.790 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)C[N@@H+]1C1CC1 ZINC000868382759 596814494 /nfs/dbraw/zinc/81/44/94/596814494.db2.gz KLHGNUBRYGFXCP-HZPDHXFCSA-N 2 0 349.523 1.033 20 0 EDADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156186 596815634 /nfs/dbraw/zinc/81/56/34/596815634.db2.gz GAQCZOJMDPXHBM-NVXWUHKLSA-N 2 0 345.553 1.888 20 0 EDADRP CN(C)S(=O)(=O)CC[N@@H+]1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156234 596815773 /nfs/dbraw/zinc/81/57/73/596815773.db2.gz GTKMJRZSWAKPCT-GDBMZVCRSA-N 2 0 331.526 1.497 20 0 EDADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156473 596816042 /nfs/dbraw/zinc/81/60/42/596816042.db2.gz KBRJHJPVZTWPGN-RDJZCZTQSA-N 2 0 345.553 1.935 20 0 EDADRP CCS(=O)(=O)NCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158249 596816689 /nfs/dbraw/zinc/81/66/89/596816689.db2.gz UJHFSHNEXDHSSZ-HOCLYGCPSA-N 2 0 331.526 1.545 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158702 596817163 /nfs/dbraw/zinc/81/71/63/596817163.db2.gz XENRFIYVLODVGT-NUJGCVRESA-N 2 0 337.508 1.853 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1 ZINC000872187864 596826068 /nfs/dbraw/zinc/82/60/68/596826068.db2.gz KSFCNEINWGKORT-UHFFFAOYSA-N 2 0 335.452 1.093 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000872249319 596853530 /nfs/dbraw/zinc/85/35/30/596853530.db2.gz KHMKWWBQNPKGQN-JSGCOSHPSA-N 2 0 346.397 1.359 20 0 EDADRP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411467 596879802 /nfs/dbraw/zinc/87/98/02/596879802.db2.gz MVGWBFIBCGEKEV-CJNGLKHVSA-N 2 0 337.439 1.978 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccccc1-n1ccnn1 ZINC000866412334 596880449 /nfs/dbraw/zinc/88/04/49/596880449.db2.gz HISQRPIIAIOMRU-CABCVRRESA-N 2 0 329.448 1.763 20 0 EDADRP CCSCCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875561634 596897650 /nfs/dbraw/zinc/89/76/50/596897650.db2.gz YDFUBINMOIHDNN-HUUCEWRRSA-N 2 0 330.542 1.510 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2SCCS2)C[C@H]1C[NH+](C)C ZINC000875749190 596972049 /nfs/dbraw/zinc/97/20/49/596972049.db2.gz BNZMGWNKIFQXLK-CHWSQXEVSA-N 2 0 346.566 1.173 20 0 EDADRP C[C@@H]1CN(CN2C[C@H]3CCCCN3C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000872596155 596980922 /nfs/dbraw/zinc/98/09/22/596980922.db2.gz SAZRRZDSQWOBKF-KURKYZTESA-N 2 0 349.523 1.192 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000876109859 597093908 /nfs/dbraw/zinc/09/39/08/597093908.db2.gz XRPCJSMAKZYXRM-UPTPFMHGSA-N 2 0 340.512 1.395 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1C[C@H]2CCC[C@@H]2O1 ZINC000876349191 597175789 /nfs/dbraw/zinc/17/57/89/597175789.db2.gz ACBDCLIHGITZTP-PMPSAXMXSA-N 2 0 326.485 1.079 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c(=O)n(C)c1=O ZINC000873232152 597235263 /nfs/dbraw/zinc/23/52/63/597235263.db2.gz LVSRXMLRDBPUCK-RHSMWYFYSA-N 2 0 348.491 1.204 20 0 EDADRP C[C@@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237681 597235998 /nfs/dbraw/zinc/23/59/98/597235998.db2.gz SRCCUYXYTSVTHQ-OCCSQVGLSA-N 2 0 325.478 1.763 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873261852 597241569 /nfs/dbraw/zinc/24/15/69/597241569.db2.gz HMIBIDNKZVNCBX-HRCADAONSA-N 2 0 337.489 1.115 20 0 EDADRP O=C1NCCN1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000873261230 597241973 /nfs/dbraw/zinc/24/19/73/597241973.db2.gz CBUPJOXSYDHAOJ-KZNAEPCWSA-N 2 0 328.460 1.690 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)n1 ZINC000873308307 597252318 /nfs/dbraw/zinc/25/23/18/597252318.db2.gz IFPNFRNSFYKSAQ-QWRGUYRKSA-N 2 0 348.373 1.046 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(O)cc2)C[C@H]1C[NH+](C)C ZINC000875046616 597258763 /nfs/dbraw/zinc/25/87/63/597258763.db2.gz SNQQDPXUWDEUBY-HZPDHXFCSA-N 2 0 334.464 1.273 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875046322 597258911 /nfs/dbraw/zinc/25/89/11/597258911.db2.gz JPVQIDHBVFRCAG-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000875075396 597272367 /nfs/dbraw/zinc/27/23/67/597272367.db2.gz ZOWPSQSCYLYPSC-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP COc1cccc([C@H](CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000876708971 597297428 /nfs/dbraw/zinc/29/74/28/597297428.db2.gz FUKGGOPNNDPWBL-REZMZDAPSA-N 2 0 331.460 1.970 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[NH+](C)C)cc1 ZINC000876709753 597297984 /nfs/dbraw/zinc/29/79/84/597297984.db2.gz ZKHDSRUDBBTEFW-KKUMJFAQSA-N 2 0 325.403 1.808 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875144587 597301844 /nfs/dbraw/zinc/30/18/44/597301844.db2.gz RSMLSXAIQIBAJL-XHSDSOJGSA-N 2 0 340.512 1.251 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)c1 ZINC000876719431 597303060 /nfs/dbraw/zinc/30/30/60/597303060.db2.gz LGPPVGSLGZSKGP-HLRDLLSLSA-N 2 0 331.460 1.799 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876723232 597306743 /nfs/dbraw/zinc/30/67/43/597306743.db2.gz QMKMZZREAZUCOT-DJIMGWMZSA-N 2 0 347.507 1.966 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000876738008 597315056 /nfs/dbraw/zinc/31/50/56/597315056.db2.gz WVNJZHSYKGUDFI-MJGOQNOKSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876754656 597322856 /nfs/dbraw/zinc/32/28/56/597322856.db2.gz GQMHYQZISMLIFG-CQSZACIVSA-N 2 0 341.459 1.834 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000876754075 597322885 /nfs/dbraw/zinc/32/28/85/597322885.db2.gz MFSLOYNRKICUDY-YMBFEGSUSA-N 2 0 330.432 1.151 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@H](C)C1 ZINC000876763231 597328118 /nfs/dbraw/zinc/32/81/18/597328118.db2.gz DHSAFWBOIFTUFJ-RFGFWPKPSA-N 2 0 333.423 1.080 20 0 EDADRP O=C([C@H](F)[C@@H]1CC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774119 597334499 /nfs/dbraw/zinc/33/44/99/597334499.db2.gz MAECBNXKKBTCCH-GDBMZVCRSA-N 2 0 327.444 1.037 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H](F)[C@H]3CC[NH2+]C3)c2)CC1 ZINC000876781371 597339050 /nfs/dbraw/zinc/33/90/50/597339050.db2.gz GVOADVYLYCJSBC-RDJZCZTQSA-N 2 0 334.439 1.320 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000876829437 597353285 /nfs/dbraw/zinc/35/32/85/597353285.db2.gz HXMRBBFHQGGZFZ-ZYSHUDEJSA-N 2 0 338.455 1.761 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000876856725 597360883 /nfs/dbraw/zinc/36/08/83/597360883.db2.gz SBJPVMXUOCCHIS-QWHCGFSZSA-N 2 0 327.350 1.964 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876958632 597396524 /nfs/dbraw/zinc/39/65/24/597396524.db2.gz IZLXLEIMVXUOIC-HUUCEWRRSA-N 2 0 333.480 1.719 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876964590 597399527 /nfs/dbraw/zinc/39/95/27/597399527.db2.gz KNHGZZQFKFPCQI-RABMJBRTSA-N 2 0 343.471 1.813 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876972319 597402114 /nfs/dbraw/zinc/40/21/14/597402114.db2.gz RKDFGZVDAOZQJE-ISHXATMKSA-N 2 0 334.508 1.025 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000875389813 597410663 /nfs/dbraw/zinc/41/06/63/597410663.db2.gz QPRYLQWDKJNHMB-MCIONIFRSA-N 2 0 332.439 1.555 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000875407830 597416269 /nfs/dbraw/zinc/41/62/69/597416269.db2.gz OOORLUKZKSAZLH-OFLPRAFFSA-N 2 0 340.512 1.517 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)C1 ZINC000875427197 597424070 /nfs/dbraw/zinc/42/40/70/597424070.db2.gz JSBDZLDAJFBUQJ-CGTJXYLNSA-N 2 0 328.460 1.909 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000877108004 597434535 /nfs/dbraw/zinc/43/45/35/597434535.db2.gz NVSCSTVSCVVHGR-VDZJLULYSA-N 2 0 331.460 1.331 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000877137693 597440271 /nfs/dbraw/zinc/44/02/71/597440271.db2.gz GCFNLACTJJOIJW-OWCLPIDISA-N 2 0 340.431 1.660 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000877137799 597440375 /nfs/dbraw/zinc/44/03/75/597440375.db2.gz ILOAYPZWEWEOEX-IXDOHACOSA-N 2 0 325.416 1.875 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cc2c([nH]c1=O)CCC2 ZINC000877199518 597459857 /nfs/dbraw/zinc/45/98/57/597459857.db2.gz UPJSIXSHHIMTOR-UHFFFAOYSA-N 2 0 339.399 1.333 20 0 EDADRP Cc1ncc(/C=C\C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000877199584 597460043 /nfs/dbraw/zinc/46/00/43/597460043.db2.gz WRYQKCLIEASORQ-IHWYPQMZSA-N 2 0 329.429 1.908 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)CC1 ZINC000877250377 597479588 /nfs/dbraw/zinc/47/95/88/597479588.db2.gz HQDAORDYVPKMQU-LJQANCHMSA-N 2 0 342.487 1.112 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)c1 ZINC000877358843 597500605 /nfs/dbraw/zinc/50/06/05/597500605.db2.gz DOFZZPYPRJXFDG-ZIAGYGMSSA-N 2 0 329.366 1.957 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@]34CCC[C@@H]3[NH2+]CC4)c2)CC1 ZINC000877393162 597508708 /nfs/dbraw/zinc/50/87/08/597508708.db2.gz WFMADNMWUMXPRZ-ICSRJNTNSA-N 2 0 342.487 1.448 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000877402804 597510685 /nfs/dbraw/zinc/51/06/85/597510685.db2.gz IRXZYGVDPUHKJB-CJNGLKHVSA-N 2 0 331.464 1.529 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000877407988 597510915 /nfs/dbraw/zinc/51/09/15/597510915.db2.gz ATOWKWHJPNUPPM-ZWKOTPCHSA-N 2 0 345.487 1.994 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000878015854 597569581 /nfs/dbraw/zinc/56/95/81/597569581.db2.gz LKBOFFSJLLIBCN-UHFFFAOYSA-N 2 0 345.487 1.762 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1CCCOC1 ZINC000883207197 597685962 /nfs/dbraw/zinc/68/59/62/597685962.db2.gz HVHQBCDXFUYDCZ-LULLPPNCSA-N 2 0 340.508 1.786 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](O)CC(C)(C)O)CC2)CC1 ZINC000878721917 597690490 /nfs/dbraw/zinc/69/04/90/597690490.db2.gz LKWCQHYWJXZHPZ-QGZVFWFLSA-N 2 0 327.513 1.000 20 0 EDADRP CC(C)C[N@@H+](CC(=O)NCc1cccnc1)CC1CC[NH+](C)CC1 ZINC000879702149 597694395 /nfs/dbraw/zinc/69/43/95/597694395.db2.gz HVAIFXNRJBYWJL-UHFFFAOYSA-N 2 0 332.492 1.998 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](CC[C@H]2CCCC2(F)F)C1)N1CC[NH2+]CC1 ZINC000883416099 597739334 /nfs/dbraw/zinc/73/93/34/597739334.db2.gz LZLIJJWTZIZHSD-HUUCEWRRSA-N 2 0 329.435 1.956 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCOCC2)O1 ZINC000883427271 597743601 /nfs/dbraw/zinc/74/36/01/597743601.db2.gz MTGPJRZFCKGJIM-HZPDHXFCSA-N 2 0 339.480 1.034 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000883437110 597746435 /nfs/dbraw/zinc/74/64/35/597746435.db2.gz JPDXFCSPAFDUIO-HZPDHXFCSA-N 2 0 347.463 1.022 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879973914 597792041 /nfs/dbraw/zinc/79/20/41/597792041.db2.gz FDINZMSDCUGOAD-TVFCKZIOSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883585809 597814410 /nfs/dbraw/zinc/81/44/10/597814410.db2.gz YKNJORISOIGEBC-VKJFTORMSA-N 2 0 343.475 1.924 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883585806 597814749 /nfs/dbraw/zinc/81/47/49/597814749.db2.gz YKNJORISOIGEBC-IIDMSEBBSA-N 2 0 343.475 1.924 20 0 EDADRP CN(CCC[NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586538 597815241 /nfs/dbraw/zinc/81/52/41/597815241.db2.gz NINHWUAGWMQKNT-KRWDZBQOSA-N 2 0 331.464 1.784 20 0 EDADRP [NH3+]C/C=C/CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586747 597815528 /nfs/dbraw/zinc/81/55/28/597815528.db2.gz RPYVDOCCMIWPHM-IMLGJKEDSA-N 2 0 329.448 1.607 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H](CCC(=O)OC)C2)CC1 ZINC000880037945 597817880 /nfs/dbraw/zinc/81/78/80/597817880.db2.gz NKOIOCMUUUOGIM-HNNXBMFYSA-N 2 0 339.480 1.252 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@](O)(C(N)=O)c1ccccc1)CC2 ZINC000879250310 597864716 /nfs/dbraw/zinc/86/47/16/597864716.db2.gz CUGKNJNCVNISRJ-IBGZPJMESA-N 2 0 331.460 1.167 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[C@@H]1CCC[NH2+]C1 ZINC000884019050 597969464 /nfs/dbraw/zinc/96/94/64/597969464.db2.gz KJSUPOCJNVUWIE-SUHUHFCYSA-N 2 0 340.265 1.953 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000884024291 597971128 /nfs/dbraw/zinc/97/11/28/597971128.db2.gz NDJURDSNEAOTHT-ZFWWWQNUSA-N 2 0 331.416 1.661 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000884188242 598019551 /nfs/dbraw/zinc/01/95/51/598019551.db2.gz CDUQEVFCGDDCMY-DLBZAZTESA-N 2 0 349.475 1.702 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000884198031 598024725 /nfs/dbraw/zinc/02/47/25/598024725.db2.gz LOFWGRGGFQUQLJ-MRXNPFEDSA-N 2 0 349.479 1.270 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000884219770 598033096 /nfs/dbraw/zinc/03/30/96/598033096.db2.gz XNKJLRABJLWERD-UHFFFAOYSA-N 2 0 335.448 1.125 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC(C)C)[NH2+]C)[C@H](C)C1 ZINC000884221721 598034277 /nfs/dbraw/zinc/03/42/77/598034277.db2.gz YOLGAJSQBCQAOP-ZACQAIPSSA-N 2 0 327.513 1.874 20 0 EDADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1ccc(Br)cc1 ZINC000884268210 598048966 /nfs/dbraw/zinc/04/89/66/598048966.db2.gz YTPJZFMSDLPSNK-MJBXVCDLSA-N 2 0 338.249 1.802 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)C(F)(F)F ZINC000884303818 598059625 /nfs/dbraw/zinc/05/96/25/598059625.db2.gz YAEXBUGDSXKXTM-WCQYABFASA-N 2 0 329.322 1.699 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000884336582 598073217 /nfs/dbraw/zinc/07/32/17/598073217.db2.gz SOZUHSBYPOEKSE-DLBZAZTESA-N 2 0 343.475 1.095 20 0 EDADRP CCC[C@@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000884378322 598086186 /nfs/dbraw/zinc/08/61/86/598086186.db2.gz OWDVTGAQFHBEKQ-HZPDHXFCSA-N 2 0 327.513 1.955 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000916654396 696710495 /nfs/dbraw/zinc/71/04/95/696710495.db2.gz WSMGZRKHJHDYMK-YJBOKZPZSA-N 2 0 348.491 1.909 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2csnn2)C1)C12CCC[NH+]1CCC2 ZINC000995017561 699983606 /nfs/dbraw/zinc/98/36/06/699983606.db2.gz WACLDNQISAXODY-KGLIPLIRSA-N 2 0 349.504 1.541 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@H]3C2)CC1 ZINC000992876110 695425492 /nfs/dbraw/zinc/42/54/92/695425492.db2.gz NOCFUTFWYKKQEG-XIRDDKMYSA-N 2 0 341.471 1.283 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992906222 695443920 /nfs/dbraw/zinc/44/39/20/695443920.db2.gz LJTSZDINELRRIQ-KBAYOESNSA-N 2 0 346.475 1.796 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC2C[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)cn1 ZINC001031083151 695484819 /nfs/dbraw/zinc/48/48/19/695484819.db2.gz BOCZDOLIDXDXKG-OAGGEKHMSA-N 2 0 345.491 1.295 20 0 EDADRP Cc1cc(C)cc([C@@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000174774567 695489949 /nfs/dbraw/zinc/48/99/49/695489949.db2.gz XPOYZBVQZMDKFZ-IBGZPJMESA-N 2 0 347.503 1.727 20 0 EDADRP CO[C@H](CN1CC(NC(=O)C2CC[NH+](CC3CC3)CC2)C1)C1CCC1 ZINC001031236133 695933051 /nfs/dbraw/zinc/93/30/51/695933051.db2.gz OPGVYNOKTCODRO-LJQANCHMSA-N 2 0 349.519 1.724 20 0 EDADRP CN(C)c1ccccc1CN1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001031252612 696014078 /nfs/dbraw/zinc/01/40/78/696014078.db2.gz KBKQQOZNIUIVMP-HNNXBMFYSA-N 2 0 330.476 1.395 20 0 EDADRP Cc1ccc(C)n1CC[NH+]1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000916123837 696627155 /nfs/dbraw/zinc/62/71/55/696627155.db2.gz GOQZYWGEVPCABL-UHFFFAOYSA-N 2 0 337.537 1.159 20 0 EDADRP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994248135 696637863 /nfs/dbraw/zinc/63/78/63/696637863.db2.gz DNDSGUVVXNEDST-FUHWJXTLSA-N 2 0 342.487 1.955 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1)C1CCC1 ZINC001015710277 696644069 /nfs/dbraw/zinc/64/40/69/696644069.db2.gz IWVHYNUBQTXPLW-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCCO ZINC000948065941 697057092 /nfs/dbraw/zinc/05/70/92/697057092.db2.gz LDSIRPUBSWRXLK-WBVHZDCISA-N 2 0 333.476 1.713 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2C)[C@@H](C)C1 ZINC000919050440 697236784 /nfs/dbraw/zinc/23/67/84/697236784.db2.gz IOSVDNGOIDPBCX-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000924021125 697288198 /nfs/dbraw/zinc/28/81/98/697288198.db2.gz KJMSDTYWALIAPV-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C)([NH+]3CCC3)CC2)C1 ZINC000919634491 697307699 /nfs/dbraw/zinc/30/76/99/697307699.db2.gz JLGXMYKDGMPHLJ-UPTPFMHGSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)[C@@H](CNC(=S)NC1CC[NH+](C)CC1)c1ccsc1 ZINC000920308770 697419158 /nfs/dbraw/zinc/41/91/58/697419158.db2.gz BWLMSPXSFMEAKZ-AWEZNQCLSA-N 2 0 326.535 1.909 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2CN(Cc3cc(C4CC4)no3)C2)CC[N@@H+]1C ZINC001031681403 697504454 /nfs/dbraw/zinc/50/44/54/697504454.db2.gz QHIDABPZZIANER-MLGOLLRUSA-N 2 0 332.448 1.440 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001031681451 697504707 /nfs/dbraw/zinc/50/47/07/697504707.db2.gz SBEFROYMZUXAEC-IUODEOHRSA-N 2 0 336.505 1.648 20 0 EDADRP Cc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cs1 ZINC001031688812 697527133 /nfs/dbraw/zinc/52/71/33/697527133.db2.gz LLLOBYWUTLXOPM-DLBZAZTESA-N 2 0 349.500 1.468 20 0 EDADRP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC001031688860 697527609 /nfs/dbraw/zinc/52/76/09/697527609.db2.gz MUDSRSFJVITTLL-MOPGFXCFSA-N 2 0 343.471 1.406 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1 ZINC000941471016 701549902 /nfs/dbraw/zinc/54/99/02/701549902.db2.gz NFZXKXWCPPUWKX-GOSISDBHSA-N 2 0 336.524 1.344 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941474867 701551212 /nfs/dbraw/zinc/55/12/12/701551212.db2.gz AXSJJLAFCMQSNS-QGZVFWFLSA-N 2 0 348.535 1.489 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118735 698986725 /nfs/dbraw/zinc/98/67/25/698986725.db2.gz QZTWIPOLVFGGBC-INIZCTEOSA-N 2 0 335.492 1.193 20 0 EDADRP CN(CC[N@H+](C)CCCNC(=O)C(F)(F)F)C1CC[NH+](C)CC1 ZINC000180960661 699057066 /nfs/dbraw/zinc/05/70/66/699057066.db2.gz WSNMYWUHKMQPAI-UHFFFAOYSA-N 2 0 338.418 1.013 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941502362 701561631 /nfs/dbraw/zinc/56/16/31/701561631.db2.gz ROINOOVLMGSTBP-GOSISDBHSA-N 2 0 334.508 1.098 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939053561 699113812 /nfs/dbraw/zinc/11/38/12/699113812.db2.gz APPCBNLBFMFTMV-WFASDCNBSA-N 2 0 336.505 1.730 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939063853 699131262 /nfs/dbraw/zinc/13/12/62/699131262.db2.gz NDDISDDHQKKTLM-CRAIPNDOSA-N 2 0 337.508 1.581 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001031776921 699170606 /nfs/dbraw/zinc/17/06/06/699170606.db2.gz QQPMGVXDQSIXDR-LJQANCHMSA-N 2 0 345.487 1.865 20 0 EDADRP Cc1c(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC001031799571 699328287 /nfs/dbraw/zinc/32/82/87/699328287.db2.gz ABAFHZSLRVGDIP-HNNXBMFYSA-N 2 0 342.443 1.731 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN(C3C[NH+](CC4CCCC4)C3)CC2)C1 ZINC000941638238 701602741 /nfs/dbraw/zinc/60/27/41/701602741.db2.gz ABTIGMIVPQXJIF-GOSISDBHSA-N 2 0 348.535 1.347 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544574 699686055 /nfs/dbraw/zinc/68/60/55/699686055.db2.gz KWDKOQXDPSTESC-GUYCJALGSA-N 2 0 346.475 1.578 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939752993 699902464 /nfs/dbraw/zinc/90/24/64/699902464.db2.gz CBAFECZRXNQFIF-SUMWQHHRSA-N 2 0 337.414 1.997 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939757341 699924125 /nfs/dbraw/zinc/92/41/25/699924125.db2.gz XSVCQWBKGGFTSU-GDBMZVCRSA-N 2 0 332.448 1.123 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939757343 699924211 /nfs/dbraw/zinc/92/42/11/699924211.db2.gz XSVCQWBKGGFTSU-GOEBONIOSA-N 2 0 332.448 1.123 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)cn1 ZINC000939811503 699959610 /nfs/dbraw/zinc/95/96/10/699959610.db2.gz UAVXZRQDFKZYLI-QAPCUYQASA-N 2 0 345.491 1.598 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000940154244 700284180 /nfs/dbraw/zinc/28/41/80/700284180.db2.gz RBMIGCSKTQFLMC-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000940176607 700309379 /nfs/dbraw/zinc/30/93/79/700309379.db2.gz NHFZQOPDGXPLMM-GFCCVEGCSA-N 2 0 325.482 1.349 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995166701 701631801 /nfs/dbraw/zinc/63/18/01/701631801.db2.gz HGEFKXDNHOFRHX-DOTOQJQBSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000940296645 700468725 /nfs/dbraw/zinc/46/87/25/700468725.db2.gz RFVXPSGUJXFKDT-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cccnc2OC)CC1)[NH+](C)C ZINC000940337596 700495607 /nfs/dbraw/zinc/49/56/07/700495607.db2.gz WHIBDEMTJQFLGP-INIZCTEOSA-N 2 0 348.491 1.901 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3csnn3)CC2)C1 ZINC000940327939 700505126 /nfs/dbraw/zinc/50/51/26/700505126.db2.gz AFMDVQOSUWNWRW-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327870 700505420 /nfs/dbraw/zinc/50/54/20/700505420.db2.gz XOZLLOPXANMIQQ-UKRRQHHQSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328397 700507021 /nfs/dbraw/zinc/50/70/21/700507021.db2.gz ITFSQANUZAPJGK-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940472533 700657905 /nfs/dbraw/zinc/65/79/05/700657905.db2.gz BVRIZJFQFDNLNP-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C(C)(C)C1 ZINC000940751951 700889698 /nfs/dbraw/zinc/88/96/98/700889698.db2.gz XEWLMFWASYQKDC-KRWDZBQOSA-N 2 0 349.523 1.931 20 0 EDADRP CC1(C)C[N@H+](CCF)CC[C@@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901326 700976341 /nfs/dbraw/zinc/97/63/41/700976341.db2.gz MEQTWVXNYICYHO-DIODGJHASA-N 2 0 339.455 1.036 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902239 700977060 /nfs/dbraw/zinc/97/70/60/700977060.db2.gz ZTHYAABHKOKQLR-YJTLQXIOSA-N 2 0 335.492 1.475 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)[nH]1 ZINC000995110157 700997146 /nfs/dbraw/zinc/99/71/46/700997146.db2.gz GKCWJQZTKGCCGM-JKSUJKDBSA-N 2 0 348.495 1.220 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)[C@H](C)C1 ZINC000945806335 701196120 /nfs/dbraw/zinc/19/61/20/701196120.db2.gz CQEVJZPUGVQLMP-RHSMWYFYSA-N 2 0 327.432 1.613 20 0 EDADRP CC1(C)C[N@H+](CC[C@@H]2CCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167097 701378091 /nfs/dbraw/zinc/37/80/91/701378091.db2.gz QUTNCXMTXLMARH-SJORKVTESA-N 2 0 349.519 1.726 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001031931536 701381250 /nfs/dbraw/zinc/38/12/50/701381250.db2.gz KJTLHQLBZLKDAU-INIZCTEOSA-N 2 0 335.448 1.572 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC000999170454 706599778 /nfs/dbraw/zinc/59/97/78/706599778.db2.gz QOQVFLGTPLEZKC-RBUKOAKNSA-N 2 0 342.487 1.812 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[N@H+](CCCO)CC2(C)C)c1 ZINC000941237137 701427821 /nfs/dbraw/zinc/42/78/21/701427821.db2.gz ITWHKRDUIOSANK-GOSISDBHSA-N 2 0 347.503 1.961 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000941238673 701429155 /nfs/dbraw/zinc/42/91/55/701429155.db2.gz ZMRWNJGENRSEPS-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995137638 701449716 /nfs/dbraw/zinc/44/97/16/701449716.db2.gz YVMAJCPKXRBVIX-IAGOWNOFSA-N 2 0 345.491 1.583 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)c1 ZINC001031948119 701522775 /nfs/dbraw/zinc/52/27/75/701522775.db2.gz SOQTUVRVYPXVNN-UHFFFAOYSA-N 2 0 345.487 1.723 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](C(C)C)C3)CC2)C1 ZINC000941433210 701538882 /nfs/dbraw/zinc/53/88/82/701538882.db2.gz REFCOTAZEJKNST-KRWDZBQOSA-N 2 0 336.524 1.201 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437006 701540282 /nfs/dbraw/zinc/54/02/82/701540282.db2.gz NZHJHXCZMBFCLJ-QAPCUYQASA-N 2 0 336.524 1.201 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999176419 706618120 /nfs/dbraw/zinc/61/81/20/706618120.db2.gz WMDAHQJYTNTAIW-JKSUJKDBSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1ccc(CN2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1F ZINC001031976466 701962310 /nfs/dbraw/zinc/96/23/10/701962310.db2.gz MMANZFOGDVCLAZ-YOEHRIQHSA-N 2 0 333.451 1.880 20 0 EDADRP Cc1ccc(CN2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1F ZINC001031976463 701962517 /nfs/dbraw/zinc/96/25/17/701962517.db2.gz MMANZFOGDVCLAZ-PBHICJAKSA-N 2 0 333.451 1.880 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191516 706634079 /nfs/dbraw/zinc/63/40/79/706634079.db2.gz YWQYKRAKEXFLLC-BZUAXINKSA-N 2 0 348.495 1.027 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)on1 ZINC000995825804 702097569 /nfs/dbraw/zinc/09/75/69/702097569.db2.gz SACHOVRTCIJZJG-IAGOWNOFSA-N 2 0 346.475 1.651 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)nn1C ZINC000995930098 702260592 /nfs/dbraw/zinc/26/05/92/702260592.db2.gz ZJOSRMSKTZMILO-SJORKVTESA-N 2 0 349.523 1.641 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC001032185845 702309832 /nfs/dbraw/zinc/30/98/32/702309832.db2.gz DFASIMAVGZGPPZ-KRWDZBQOSA-N 2 0 343.471 1.259 20 0 EDADRP Cc1nonc1CN[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995995956 702374130 /nfs/dbraw/zinc/37/41/30/702374130.db2.gz JIDVRCGCWVFPHM-HNNXBMFYSA-N 2 0 347.463 1.333 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2(C)C)cn1 ZINC000996247131 702650029 /nfs/dbraw/zinc/65/00/29/702650029.db2.gz LJHFWLHRLAUPRH-DLBZAZTESA-N 2 0 347.507 1.698 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1 ZINC000995206292 702651199 /nfs/dbraw/zinc/65/11/99/702651199.db2.gz DALOEHBIZGVKNI-YOEHRIQHSA-N 2 0 334.439 1.691 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)[NH+](C)C ZINC000996250776 702652592 /nfs/dbraw/zinc/65/25/92/702652592.db2.gz XRIORNQRZJPQEL-IAGOWNOFSA-N 2 0 332.492 1.994 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000996299908 702691256 /nfs/dbraw/zinc/69/12/56/702691256.db2.gz GPKDLFIZRVSSLK-ZBFHGGJFSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300208 702691854 /nfs/dbraw/zinc/69/18/54/702691854.db2.gz KHWJJHNMXAWGRP-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300641 702692299 /nfs/dbraw/zinc/69/22/99/702692299.db2.gz NYSBMIFPPZNSJR-GDBMZVCRSA-N 2 0 333.480 1.231 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996309767 702699213 /nfs/dbraw/zinc/69/92/13/702699213.db2.gz KRNBJEYAIPQKDQ-MRXNPFEDSA-N 2 0 347.507 1.442 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C)c1cnccn1 ZINC000996355573 702733520 /nfs/dbraw/zinc/73/35/20/702733520.db2.gz NBDFICRROMDSHY-IUODEOHRSA-N 2 0 328.420 1.330 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC000996384992 702749263 /nfs/dbraw/zinc/74/92/63/702749263.db2.gz CTBABAMCLFVJCC-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000996462748 702790281 /nfs/dbraw/zinc/79/02/81/702790281.db2.gz ATSFSIVAFUTSOC-GOSISDBHSA-N 2 0 347.507 1.416 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996465862 702793039 /nfs/dbraw/zinc/79/30/39/702793039.db2.gz ZKTNEFXMBFREAJ-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC1 ZINC000996449475 702794436 /nfs/dbraw/zinc/79/44/36/702794436.db2.gz PMBXPEOGDRZLMQ-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996502125 702840533 /nfs/dbraw/zinc/84/05/33/702840533.db2.gz RFSXJZKDKRMPLX-RDJZCZTQSA-N 2 0 346.475 1.938 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(N)=O ZINC000996534644 702848649 /nfs/dbraw/zinc/84/86/49/702848649.db2.gz ULUQLDGMAPPDKA-OAHLLOKOSA-N 2 0 338.496 1.095 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000996561045 702875000 /nfs/dbraw/zinc/87/50/00/702875000.db2.gz OCHHUHHOZFGSQS-INIZCTEOSA-N 2 0 341.446 1.954 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996607705 702910974 /nfs/dbraw/zinc/91/09/74/702910974.db2.gz DPBVWOGNXWYBII-HOTGVXAUSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996608368 702911550 /nfs/dbraw/zinc/91/15/50/702911550.db2.gz RXLYXIBHVJTEDN-UKRRQHHQSA-N 2 0 336.505 1.872 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)CC[N@@H+]1C ZINC000996605132 702914566 /nfs/dbraw/zinc/91/45/66/702914566.db2.gz BCXLPJQYDBOJNE-CXAGYDPISA-N 2 0 334.439 1.642 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996608864 702915134 /nfs/dbraw/zinc/91/51/34/702915134.db2.gz UAIBWFNBRKUYCX-BFYDXBDKSA-N 2 0 345.491 1.767 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)CC[N@@H+]1C ZINC000996610137 702921060 /nfs/dbraw/zinc/92/10/60/702921060.db2.gz YUAQOCAITNMJJX-CXAGYDPISA-N 2 0 334.439 1.642 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H](C)C1 ZINC000942446008 702941874 /nfs/dbraw/zinc/94/18/74/702941874.db2.gz ZOMBRGJUAPBURN-HOCLYGCPSA-N 2 0 343.431 1.354 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996663933 702962035 /nfs/dbraw/zinc/96/20/35/702962035.db2.gz AUWLXFIZPMXOAK-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC000996667389 702964503 /nfs/dbraw/zinc/96/45/03/702964503.db2.gz AXLTZJYYVKEQJF-HOTGVXAUSA-N 2 0 338.496 1.094 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnnn2C)C(C)(C)C1 ZINC000996670953 702972184 /nfs/dbraw/zinc/97/21/84/702972184.db2.gz LIONNBXYOAAWLX-JKSUJKDBSA-N 2 0 348.495 1.016 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)on1 ZINC000996675149 702974384 /nfs/dbraw/zinc/97/43/84/702974384.db2.gz FIYLNFASCMEEMY-INIZCTEOSA-N 2 0 336.436 1.104 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000996678983 702977845 /nfs/dbraw/zinc/97/78/45/702977845.db2.gz PGZXHJVFJGODPL-IAQYHMDHSA-N 2 0 334.468 1.095 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)ccn1 ZINC000996680741 702979044 /nfs/dbraw/zinc/97/90/44/702979044.db2.gz UVYZGDIQNVEQCR-SFHVURJKSA-N 2 0 346.475 1.511 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000996680858 702979550 /nfs/dbraw/zinc/97/95/50/702979550.db2.gz VURVZHXBOZLEOL-UYJHFMRCSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000996728309 703023013 /nfs/dbraw/zinc/02/30/13/703023013.db2.gz IQCWMZFBCRWLPQ-GOSISDBHSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cncn1CC(=O)N1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1 ZINC000996802402 703088482 /nfs/dbraw/zinc/08/84/82/703088482.db2.gz PNGIAEYUZLJJLS-UHFFFAOYSA-N 2 0 344.463 1.750 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2csnn2)CC1)[NH+](C)C ZINC000996964379 703232788 /nfs/dbraw/zinc/23/27/88/703232788.db2.gz KPEVUFHXEVCYMU-SWLSCSKDSA-N 2 0 339.509 1.766 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000996979117 703234555 /nfs/dbraw/zinc/23/45/55/703234555.db2.gz QXIJCDYVDIBQCK-QGZVFWFLSA-N 2 0 335.496 1.395 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997005767 703263049 /nfs/dbraw/zinc/26/30/49/703263049.db2.gz KFZSHNGHCLRXKU-AWEZNQCLSA-N 2 0 346.475 1.974 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000997006210 703263332 /nfs/dbraw/zinc/26/33/32/703263332.db2.gz FLJAKSHUYFKRGB-CZUORRHYSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008365 703266166 /nfs/dbraw/zinc/26/61/66/703266166.db2.gz LSDWKWMPJWJYJE-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CCn2nc(C)cc2C)CC1)[NH+](C)C ZINC000997014788 703273896 /nfs/dbraw/zinc/27/38/96/703273896.db2.gz KDHMQSYLQLOSQC-KRWDZBQOSA-N 2 0 335.496 1.421 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2csnn2)CC1)[NH+](C)C ZINC000997016286 703274889 /nfs/dbraw/zinc/27/48/89/703274889.db2.gz UNVUTWDATPFOEA-RISCZKNCSA-N 2 0 325.482 1.520 20 0 EDADRP CCc1[nH]nc(Cl)c1C[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000921520473 703349173 /nfs/dbraw/zinc/34/91/73/703349173.db2.gz INDKZQRFKABXSN-HNNXBMFYSA-N 2 0 327.904 1.987 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(F)c1 ZINC000921525985 703359353 /nfs/dbraw/zinc/35/93/53/703359353.db2.gz DCNBZNVRDNUXTA-UHFFFAOYSA-N 2 0 337.439 1.730 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)CC1 ZINC000997115289 703368975 /nfs/dbraw/zinc/36/89/75/703368975.db2.gz LQIWOCKQHIXEIK-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)O1 ZINC000997186464 703475461 /nfs/dbraw/zinc/47/54/61/703475461.db2.gz NMZOWROLPVPTHC-GOEBONIOSA-N 2 0 346.475 1.909 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997188184 703477961 /nfs/dbraw/zinc/47/79/61/703477961.db2.gz YXSZXCXXSZIRIN-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CCF)CC1 ZINC000997229433 703505114 /nfs/dbraw/zinc/50/51/14/703505114.db2.gz VXGRGSDWAWVGJN-KDWRMLKXSA-N 2 0 339.455 1.036 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(Cl)nc3)CC2)C1 ZINC000997300443 703543963 /nfs/dbraw/zinc/54/39/63/703543963.db2.gz VCQOKVZHNLJBQT-CQSZACIVSA-N 2 0 336.867 1.767 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2cccc(Cl)n2)CC1 ZINC000997306730 703565241 /nfs/dbraw/zinc/56/52/41/703565241.db2.gz JSABDBPBEHCPJD-UHFFFAOYSA-N 2 0 336.867 1.911 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)sc1C ZINC000997307024 703565562 /nfs/dbraw/zinc/56/55/62/703565562.db2.gz LLRMUKMHADJRCJ-UHFFFAOYSA-N 2 0 336.505 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000997365301 703597070 /nfs/dbraw/zinc/59/70/70/703597070.db2.gz RAAMPZQJMRNTOU-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997366004 703599737 /nfs/dbraw/zinc/59/97/37/703599737.db2.gz XJXIZGOOWFFESZ-KRWDZBQOSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032445629 703614279 /nfs/dbraw/zinc/61/42/79/703614279.db2.gz NALGDXZJAFJAEZ-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997595587 703884682 /nfs/dbraw/zinc/88/46/82/703884682.db2.gz FQKBJTSYVUWEAJ-HDMKZQKVSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000997609120 703908301 /nfs/dbraw/zinc/90/83/01/703908301.db2.gz ZXGRVSHMBOALSH-INIZCTEOSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997613698 703913251 /nfs/dbraw/zinc/91/32/51/703913251.db2.gz PIQCVIYCIBQPEX-QGZVFWFLSA-N 2 0 331.464 1.207 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001004206487 703964508 /nfs/dbraw/zinc/96/45/08/703964508.db2.gz MFAZIVSWCRYDJL-IYBDPMFKSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)CC[N@@H+]1C ZINC000999293994 706791267 /nfs/dbraw/zinc/79/12/67/706791267.db2.gz OQVFWMOREJZFDJ-FXQLRMTLSA-N 2 0 333.480 1.229 20 0 EDADRP C[C@@H](CNC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C)[NH+](C)C ZINC000922742628 704308760 /nfs/dbraw/zinc/30/87/60/704308760.db2.gz JIFFLOXFSLIXEM-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999311261 706814035 /nfs/dbraw/zinc/81/40/35/706814035.db2.gz ZZVCOZCQFUBEMN-HIFRSBDPSA-N 2 0 337.493 1.493 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C2CC[NH+](CCCO)CC2)C1 ZINC000997726744 704616584 /nfs/dbraw/zinc/61/65/84/704616584.db2.gz UZEVZKXAJMPXSQ-WMZOPIPTSA-N 2 0 339.524 1.708 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000997783495 704693726 /nfs/dbraw/zinc/69/37/26/704693726.db2.gz FZQSGZLPMXSZEB-QGZVFWFLSA-N 2 0 346.475 1.653 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997803896 704715699 /nfs/dbraw/zinc/71/56/99/704715699.db2.gz NZILDFQYQLEQMQ-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997820642 704739287 /nfs/dbraw/zinc/73/92/87/704739287.db2.gz IOKXXFDRAOHHNC-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997831087 704751431 /nfs/dbraw/zinc/75/14/31/704751431.db2.gz QCGVDHIJPKMIQY-MLGOLLRUSA-N 2 0 349.479 1.607 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000997845616 704761522 /nfs/dbraw/zinc/76/15/22/704761522.db2.gz YIHTWCBFPPEASK-INIZCTEOSA-N 2 0 337.468 1.292 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944921025 704773107 /nfs/dbraw/zinc/77/31/07/704773107.db2.gz XRMNXMMMWNJESP-HOCLYGCPSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943601 704796346 /nfs/dbraw/zinc/79/63/46/704796346.db2.gz IZRBMLTVDBZUQE-DLBZAZTESA-N 2 0 330.476 1.812 20 0 EDADRP O=C([C@@H]1COCCN1C1CCCC1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000998007828 705173097 /nfs/dbraw/zinc/17/30/97/705173097.db2.gz ARIXLXQBAGIVJA-IBGZPJMESA-N 2 0 349.519 1.868 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000998078841 705292211 /nfs/dbraw/zinc/29/22/11/705292211.db2.gz MPIXRCIQCCZVIZ-CRAIPNDOSA-N 2 0 347.507 1.429 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)C1 ZINC000998082109 705308506 /nfs/dbraw/zinc/30/85/06/705308506.db2.gz NNNWXCFQMXRYLP-UHFFFAOYSA-N 2 0 334.464 1.735 20 0 EDADRP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000921505208 705466196 /nfs/dbraw/zinc/46/61/96/705466196.db2.gz GXVBHWRYOPKPDK-INIZCTEOSA-N 2 0 349.475 1.354 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998265346 705632010 /nfs/dbraw/zinc/63/20/10/705632010.db2.gz LRDNJALCHVNGES-INIZCTEOSA-N 2 0 331.464 1.065 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998266068 705637933 /nfs/dbraw/zinc/63/79/33/705637933.db2.gz ORXAELXSVCFRCF-KRWDZBQOSA-N 2 0 331.464 1.065 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998268056 705640037 /nfs/dbraw/zinc/64/00/37/705640037.db2.gz AJYONDHGUXADGP-HNNXBMFYSA-N 2 0 334.464 1.517 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)C[C@@H]2C)o1 ZINC000945332282 705644142 /nfs/dbraw/zinc/64/41/42/705644142.db2.gz BVYHDNNEHCDSOK-HOCLYGCPSA-N 2 0 337.464 1.554 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998286258 705681852 /nfs/dbraw/zinc/68/18/52/705681852.db2.gz JXNFRSABQSTUPS-OKILXGFUSA-N 2 0 335.452 1.271 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC[C@@H]2CCOC2)C1 ZINC001032628741 705746176 /nfs/dbraw/zinc/74/61/76/705746176.db2.gz DTJLLOPUQPISIW-IKGGRYGDSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000998554459 705989345 /nfs/dbraw/zinc/98/93/45/705989345.db2.gz XUOPBLRAQLMEBM-YMAMQOFZSA-N 2 0 336.505 1.933 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998720165 706152801 /nfs/dbraw/zinc/15/28/01/706152801.db2.gz IMEUTRSZMLOMMV-LSDHHAIUSA-N 2 0 336.867 1.910 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998720538 706152808 /nfs/dbraw/zinc/15/28/08/706152808.db2.gz JDTFOITWAYUYJG-DLBZAZTESA-N 2 0 333.480 1.120 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731566 706164099 /nfs/dbraw/zinc/16/40/99/706164099.db2.gz OLDWPTNXEFUVKW-MAUKXSAKSA-N 2 0 345.491 1.394 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998780539 706221530 /nfs/dbraw/zinc/22/15/30/706221530.db2.gz OLJHGNQQOAAQDI-CTWPCTMYSA-N 2 0 349.519 1.724 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]CCn3cccn3)C2)C1 ZINC000998890155 706317107 /nfs/dbraw/zinc/31/71/07/706317107.db2.gz ZDYZCZQYVXDIJC-AOCRQIFASA-N 2 0 347.507 1.440 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000998994014 706411285 /nfs/dbraw/zinc/41/12/85/706411285.db2.gz JESBPLBTPNJDLO-DAWZGUTISA-N 2 0 330.476 1.953 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC000999144269 706558138 /nfs/dbraw/zinc/55/81/38/706558138.db2.gz KYRZFIRSURMZHZ-WMZOPIPTSA-N 2 0 345.491 1.738 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000999320480 706820604 /nfs/dbraw/zinc/82/06/04/706820604.db2.gz ZHXTUQLVLHWISS-HNNXBMFYSA-N 2 0 345.451 1.043 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999355866 706845893 /nfs/dbraw/zinc/84/58/93/706845893.db2.gz YHFYDBPBKDESTM-IAGOWNOFSA-N 2 0 347.507 1.764 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999376311 706870298 /nfs/dbraw/zinc/87/02/98/706870298.db2.gz VTVZDNRYFNEBFW-MAUKXSAKSA-N 2 0 346.475 1.511 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc3n(n2)CCC3)C1)C1CC1 ZINC000999367210 706881222 /nfs/dbraw/zinc/88/12/22/706881222.db2.gz DVFJOAFYIUOTMU-YJBOKZPZSA-N 2 0 345.491 1.250 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)sn1 ZINC000999370905 706884752 /nfs/dbraw/zinc/88/47/52/706884752.db2.gz LWCVTMPANOZCSG-HOCLYGCPSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)nn1C ZINC000999401957 706910072 /nfs/dbraw/zinc/91/00/72/706910072.db2.gz CACYUCXGPDBDKY-KTAKPFMOSA-N 2 0 333.480 1.292 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999409099 706918903 /nfs/dbraw/zinc/91/89/03/706918903.db2.gz OIJQKFGTYLRFGA-BZOOQXSSSA-N 2 0 331.464 1.206 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999437631 706944783 /nfs/dbraw/zinc/94/47/83/706944783.db2.gz XVXHAYGNSUJQGU-AEFFLSMTSA-N 2 0 348.491 1.757 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCn2cncn2)C1 ZINC000999506852 707004318 /nfs/dbraw/zinc/00/43/18/707004318.db2.gz SQYCCWSAUBWICB-JCYILVPMSA-N 2 0 348.495 1.120 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999509604 707007165 /nfs/dbraw/zinc/00/71/65/707007165.db2.gz JPSQPJNKGDOSEA-ROUUACIJSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999510854 707009327 /nfs/dbraw/zinc/00/93/27/707009327.db2.gz MIDZQFJDTCZVJA-DOTOQJQBSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)on1 ZINC000999488628 707024401 /nfs/dbraw/zinc/02/44/01/707024401.db2.gz GXBMUCWGADGDBC-MRXNPFEDSA-N 2 0 346.475 1.940 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccnc(OC)c2)C1)[NH+](C)C ZINC000999492429 707028913 /nfs/dbraw/zinc/02/89/13/707028913.db2.gz BALDBQQMNMIUNC-JKSUJKDBSA-N 2 0 334.464 1.511 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C1)[NH+](C)C ZINC000999495905 707032601 /nfs/dbraw/zinc/03/26/01/707032601.db2.gz MDSNMWBAPDDDGO-DLBZAZTESA-N 2 0 346.475 1.206 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]Cc2nccs2)C1)C12CCC[NH+]1CCC2 ZINC000999594514 707097741 /nfs/dbraw/zinc/09/77/41/707097741.db2.gz BAYYPXBZGPBMJI-CQSZACIVSA-N 2 0 334.489 1.852 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999598667 707101485 /nfs/dbraw/zinc/10/14/85/707101485.db2.gz WSBGKVBPALRVDW-INIZCTEOSA-N 2 0 343.475 1.494 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)nn1 ZINC000999683004 707189958 /nfs/dbraw/zinc/18/99/58/707189958.db2.gz URKGWVCCFIFKNF-UQPPLGOBSA-N 2 0 348.495 1.280 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033182872 707358312 /nfs/dbraw/zinc/35/83/12/707358312.db2.gz SUCAPSDKRIBAAG-ROUUACIJSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004869192 707518800 /nfs/dbraw/zinc/51/88/00/707518800.db2.gz PHIUHSRNFOYACK-DOTOQJQBSA-N 2 0 347.507 1.764 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999876838 707525162 /nfs/dbraw/zinc/52/51/62/707525162.db2.gz ULRCNRJBCNKZIG-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365278 707659553 /nfs/dbraw/zinc/65/95/53/707659553.db2.gz LWDGZTMALFEBPB-ROUUACIJSA-N 2 0 337.508 1.963 20 0 EDADRP CCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)nn2)C1 ZINC000999988661 707662056 /nfs/dbraw/zinc/66/20/56/707662056.db2.gz WUZHJDCMNFGWST-YESZJQIVSA-N 2 0 348.495 1.281 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359683 707686304 /nfs/dbraw/zinc/68/63/04/707686304.db2.gz AYUFIHUSBMEPKN-QILLFSRXSA-N 2 0 347.507 1.492 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(F)c1 ZINC000921690489 707720394 /nfs/dbraw/zinc/72/03/94/707720394.db2.gz NNMBMTSBZMILTO-UHFFFAOYSA-N 2 0 337.439 1.730 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033395866 707733954 /nfs/dbraw/zinc/73/39/54/707733954.db2.gz LFYKMJYRKUGNML-GOSISDBHSA-N 2 0 347.507 1.374 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001033226710 707837978 /nfs/dbraw/zinc/83/79/78/707837978.db2.gz VKQFRDSLNRAPQS-MSOLQXFVSA-N 2 0 349.519 1.963 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423924 707840517 /nfs/dbraw/zinc/84/05/17/707840517.db2.gz VRWADPLNFVABKI-QFBILLFUSA-N 2 0 347.503 1.972 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033228644 707869696 /nfs/dbraw/zinc/86/96/96/707869696.db2.gz MTPOPIMBCXBUDC-GOSISDBHSA-N 2 0 349.519 1.964 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cccc4[nH]c(=O)oc43)C2)CC1 ZINC000921732198 707919249 /nfs/dbraw/zinc/91/92/49/707919249.db2.gz FKRQWCRTSQRVDJ-CQSZACIVSA-N 2 0 330.432 1.792 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033475742 707966050 /nfs/dbraw/zinc/96/60/50/707966050.db2.gz QXPIIXWGHSCSMR-QGZVFWFLSA-N 2 0 333.480 1.148 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033489042 707982977 /nfs/dbraw/zinc/98/29/77/707982977.db2.gz DLFFGADDUCWBEQ-KRWDZBQOSA-N 2 0 333.480 1.557 20 0 EDADRP COc1ccc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001005179484 708121990 /nfs/dbraw/zinc/12/19/90/708121990.db2.gz OOHVOVFSRSYQLW-KRWDZBQOSA-N 2 0 346.475 1.607 20 0 EDADRP CCc1noc([C@H](C)N2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005182088 708128038 /nfs/dbraw/zinc/12/80/38/708128038.db2.gz CJSOJZOPJWYXLN-ZFWWWQNUSA-N 2 0 349.479 1.710 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582810 708266297 /nfs/dbraw/zinc/26/62/97/708266297.db2.gz RFSVVDUKPUGDHB-SJLPKXTDSA-N 2 0 330.476 1.765 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033592525 708291067 /nfs/dbraw/zinc/29/10/67/708291067.db2.gz AXVHOESVXWQBAP-MSOLQXFVSA-N 2 0 345.487 1.940 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001833969 708360364 /nfs/dbraw/zinc/36/03/64/708360364.db2.gz NEWGRZYLAWUIBR-SUMWQHHRSA-N 2 0 348.491 1.817 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001033657570 708429011 /nfs/dbraw/zinc/42/90/11/708429011.db2.gz MUFULGQISUTRAA-GOSISDBHSA-N 2 0 330.476 1.827 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665939 708449741 /nfs/dbraw/zinc/44/97/41/708449741.db2.gz SKDCURPYSQMLKU-QZTJIDSGSA-N 2 0 344.503 1.737 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001033659893 708472060 /nfs/dbraw/zinc/47/20/60/708472060.db2.gz ZOSASEZWJZLSHQ-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CO[C@H](C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001002125427 708640405 /nfs/dbraw/zinc/64/04/05/708640405.db2.gz KKIWPTUXHWNSFQ-QZTJIDSGSA-N 2 0 337.508 1.581 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000922892660 708697586 /nfs/dbraw/zinc/69/75/86/708697586.db2.gz FGDIVCZAIVWMMT-QZTJIDSGSA-N 2 0 335.492 1.763 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CCN(Cc2cncs2)C1 ZINC001033830315 708851534 /nfs/dbraw/zinc/85/15/34/708851534.db2.gz HDTFWKOMPCPCJX-WBVHZDCISA-N 2 0 348.516 1.908 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nccnc2C)C1 ZINC001033838362 708868123 /nfs/dbraw/zinc/86/81/23/708868123.db2.gz NKDBUOIFMBXKRR-BRWVUGGUSA-N 2 0 345.491 1.548 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001005415518 708933658 /nfs/dbraw/zinc/93/36/58/708933658.db2.gz LTUJGJDXKGTXBL-RYQLBKOJSA-N 2 0 337.508 1.676 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000921935008 709054423 /nfs/dbraw/zinc/05/44/23/709054423.db2.gz IGEDLFXOMIWKNB-WJFTUGDTSA-N 2 0 342.487 1.900 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cncn2)CC1 ZINC001005474385 709110431 /nfs/dbraw/zinc/11/04/31/709110431.db2.gz DCVKMNZBIFUPCK-KRWDZBQOSA-N 2 0 348.495 1.075 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001034014701 709229496 /nfs/dbraw/zinc/22/94/96/709229496.db2.gz CJRDCKRPKVQQOT-IAGOWNOFSA-N 2 0 335.492 1.574 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001034041410 709289798 /nfs/dbraw/zinc/28/97/98/709289798.db2.gz CZRBKVLRXBTJDZ-IRXDYDNUSA-N 2 0 330.476 1.765 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH+](C)C)CC1 ZINC000921991932 709380708 /nfs/dbraw/zinc/38/07/08/709380708.db2.gz TTYSQSDZJUGHLZ-NVXWUHKLSA-N 2 0 330.476 1.900 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001002808673 709411096 /nfs/dbraw/zinc/41/10/96/709411096.db2.gz FBIFQHRRTALRDQ-MJGOQNOKSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cc(CN2CCC(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)on1 ZINC001002802290 709416849 /nfs/dbraw/zinc/41/68/49/709416849.db2.gz NEYRJJNLFCPMKF-DOTOQJQBSA-N 2 0 346.475 1.938 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)C(C)(C)[NH+]3CCCCC3)CC2)cn1 ZINC001002815857 709430967 /nfs/dbraw/zinc/43/09/67/709430967.db2.gz WAUKXHDINIXKRS-UHFFFAOYSA-N 2 0 347.507 1.765 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC001002850956 709461438 /nfs/dbraw/zinc/46/14/38/709461438.db2.gz FEYZTULNKRCNMA-CRAIPNDOSA-N 2 0 347.507 1.366 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCOC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210287 709560302 /nfs/dbraw/zinc/56/03/02/709560302.db2.gz GKBLXAAFHGKZIF-HKUYNNGSSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CCCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC001034213374 709565091 /nfs/dbraw/zinc/56/50/91/709565091.db2.gz XECYCLGYPIFBNH-MRXNPFEDSA-N 2 0 325.497 1.604 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001034269156 709673362 /nfs/dbraw/zinc/67/33/62/709673362.db2.gz AEZYFTMRXHPONL-SJLPKXTDSA-N 2 0 347.507 1.418 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319671 709769476 /nfs/dbraw/zinc/76/94/76/709769476.db2.gz KBNKBLHNSVKZFL-ISXWCOSWSA-N 2 0 335.492 1.620 20 0 EDADRP CO[C@H]1C[C@H]([NH2+]Cc2cccnc2N2CC[NH+](C)CC2)C12CCC2 ZINC000453067998 709862779 /nfs/dbraw/zinc/86/27/79/709862779.db2.gz CANMTSZJPODNTO-IRXDYDNUSA-N 2 0 330.476 1.881 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2CN(C(C)C)CCO2)C1 ZINC001034362693 709879285 /nfs/dbraw/zinc/87/92/85/709879285.db2.gz IKJAZLFYEOBTQL-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1oncc1C[N@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034386595 709915207 /nfs/dbraw/zinc/91/52/07/709915207.db2.gz SXKSKDRUSTWXBO-QGZVFWFLSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1nncc1CN1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034387207 709916234 /nfs/dbraw/zinc/91/62/34/709916234.db2.gz WYAGLDULBOYDGE-INIZCTEOSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001034404122 709951575 /nfs/dbraw/zinc/95/15/75/709951575.db2.gz GMBZYFAXKIZUAP-VQIMIIECSA-N 2 0 347.503 1.756 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@H]1CCc2cncn2C1 ZINC001003192796 710127510 /nfs/dbraw/zinc/12/75/10/710127510.db2.gz KCHGXGWVHWCRBN-YJBOKZPZSA-N 2 0 346.475 1.595 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC001034610349 710284528 /nfs/dbraw/zinc/28/45/28/710284528.db2.gz MMBZBKVWMVFNOB-ANQUJSFKSA-N 2 0 331.464 1.649 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)[C@@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375388 710293491 /nfs/dbraw/zinc/29/34/91/710293491.db2.gz NSMDALUQFLKIJZ-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649249 710325960 /nfs/dbraw/zinc/32/59/60/710325960.db2.gz UWIVAPSUJCBDMZ-BRWVUGGUSA-N 2 0 346.475 1.842 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1)[NH+]1CCCC1 ZINC001003424152 710339484 /nfs/dbraw/zinc/33/94/84/710339484.db2.gz QKFRJCIZCSXPIB-UZLBHIALSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)CC1 ZINC001003546907 710413608 /nfs/dbraw/zinc/41/36/08/710413608.db2.gz FKKFEYACFUDPJG-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H](C)O)CC2)C1 ZINC001034662827 710595945 /nfs/dbraw/zinc/59/59/45/710595945.db2.gz PFRYMJQEADYQFE-QAETUUGQSA-N 2 0 325.497 1.362 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034674811 710625431 /nfs/dbraw/zinc/62/54/31/710625431.db2.gz SFMGPUFSJPQBGW-JYJNAYRXSA-N 2 0 348.495 1.299 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034735289 710920063 /nfs/dbraw/zinc/92/00/63/710920063.db2.gz DZBOHXACZAAUOY-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC001034737911 710951417 /nfs/dbraw/zinc/95/14/17/710951417.db2.gz OLIRTCAQTHBKQH-BRWVUGGUSA-N 2 0 345.491 1.786 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncc(F)c2)CC1 ZINC001034738495 710953988 /nfs/dbraw/zinc/95/39/88/710953988.db2.gz TWIRPITUAKSYJP-XDKFSHSGSA-N 2 0 348.466 1.935 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034775854 711050374 /nfs/dbraw/zinc/05/03/74/711050374.db2.gz KXKYWBIAPOVYLC-BRWVUGGUSA-N 2 0 345.491 1.644 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034776431 711053389 /nfs/dbraw/zinc/05/33/89/711053389.db2.gz UCUANNBTYGVQSZ-QAETUUGQSA-N 2 0 345.491 1.896 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034777098 711055379 /nfs/dbraw/zinc/05/53/79/711055379.db2.gz FWRFFAKIIAYUCG-WKILWMFISA-N 2 0 332.448 1.596 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC001034792224 711118654 /nfs/dbraw/zinc/11/86/54/711118654.db2.gz BRIXFNWDJVWFMF-WKILWMFISA-N 2 0 345.491 1.442 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034797347 711131527 /nfs/dbraw/zinc/13/15/27/711131527.db2.gz XXPAJJJOOKMAGZ-JFIYKMOQSA-N 2 0 347.507 1.812 20 0 EDADRP C[C@H](c1cnccn1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003977850 711150571 /nfs/dbraw/zinc/15/05/71/711150571.db2.gz YTAVICUJZOGXDI-HUUCEWRRSA-N 2 0 331.464 1.460 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CCC2)CC1 ZINC001005740094 711284444 /nfs/dbraw/zinc/28/44/44/711284444.db2.gz DMGKNTPCXMUUNK-KGXSXCIVSA-N 2 0 347.503 1.573 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034942382 711395090 /nfs/dbraw/zinc/39/50/90/711395090.db2.gz XETYIRPFEKAIOI-AEFFLSMTSA-N 2 0 346.475 1.714 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001034958653 711432269 /nfs/dbraw/zinc/43/22/69/711432269.db2.gz LXJOBCFSOOFNJO-SJLPKXTDSA-N 2 0 347.507 1.479 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391993 711457113 /nfs/dbraw/zinc/45/71/13/711457113.db2.gz IXWKPMBGFNZDKC-XSYGEPLQSA-N 2 0 345.487 1.745 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC001004141273 711540735 /nfs/dbraw/zinc/54/07/35/711540735.db2.gz DKXJQQCOEWSDGU-HNNXBMFYSA-N 2 0 332.448 1.123 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H](C)O)C[C@H]2CC1 ZINC000946615782 711853816 /nfs/dbraw/zinc/85/38/16/711853816.db2.gz RNBJWCIGIGZTRW-FJIDUMEYSA-N 2 0 337.508 1.412 20 0 EDADRP CC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001004490753 711870070 /nfs/dbraw/zinc/87/00/70/711870070.db2.gz TXUMFDKPQHHEAM-MHALHIKHSA-N 2 0 347.503 1.573 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623781 711925376 /nfs/dbraw/zinc/92/53/76/711925376.db2.gz QTZMUTARBKUDGH-OWLYRPNTSA-N 2 0 337.508 1.532 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033139353 711932692 /nfs/dbraw/zinc/93/26/92/711932692.db2.gz GIFDJNMZQNWRKC-OALUTQOASA-N 2 0 349.519 1.963 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946631666 712020744 /nfs/dbraw/zinc/02/07/44/712020744.db2.gz SJGGOUWCFKWREZ-WNRNVDISSA-N 2 0 337.508 1.412 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)CC[C@@H]2C1 ZINC000946642282 712126244 /nfs/dbraw/zinc/12/62/44/712126244.db2.gz CKCXNFJEZRHZHG-FCGDIQPGSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662573 712290864 /nfs/dbraw/zinc/29/08/64/712290864.db2.gz BMWUDKXGIIPAPL-BHYGNILZSA-N 2 0 342.443 1.499 20 0 EDADRP CN(C[C@@](C)(O)C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000497175567 282082001 /nfs/dbraw/zinc/08/20/01/282082001.db2.gz FAYZRDJUPTXHFB-GOSISDBHSA-N 2 0 343.512 1.878 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000332279121 282148354 /nfs/dbraw/zinc/14/83/54/282148354.db2.gz QYYCRZFINYVRIP-IAGOWNOFSA-N 2 0 337.489 1.653 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CCN(CC[NH+](C)C)CC1)C(C)C ZINC000102552349 219210156 /nfs/dbraw/zinc/21/01/56/219210156.db2.gz PKDQQJJRBVTMSZ-UHFFFAOYSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)(CNC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCOCC1 ZINC000561045711 306281745 /nfs/dbraw/zinc/28/17/45/306281745.db2.gz NDAVWEKIDMNGBO-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOC3)c2)C1 ZINC000248131811 539685735 /nfs/dbraw/zinc/68/57/35/539685735.db2.gz ONCKVISJMROTLF-ROUUACIJSA-N 2 0 331.460 1.653 20 0 EDADRP Nc1ccc(F)c(NC(=O)CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000151302046 539749523 /nfs/dbraw/zinc/74/95/23/539749523.db2.gz RTPJPZJTXBOELW-UHFFFAOYSA-N 2 0 343.406 1.954 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000342982580 539770188 /nfs/dbraw/zinc/77/01/88/539770188.db2.gz DMARAMJWMJLGQE-JYJNAYRXSA-N 2 0 340.512 1.164 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000342990686 539772297 /nfs/dbraw/zinc/77/22/97/539772297.db2.gz QRWIJUYGHGCETO-DOTOQJQBSA-N 2 0 348.491 1.252 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000562795540 306309503 /nfs/dbraw/zinc/30/95/03/306309503.db2.gz NBYOTOVPEIMFLQ-SJLPKXTDSA-N 2 0 346.475 1.883 20 0 EDADRP Cn1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000562809579 306310094 /nfs/dbraw/zinc/31/00/94/306310094.db2.gz CDUXCXIXJQGLJJ-HIFRSBDPSA-N 2 0 333.480 1.395 20 0 EDADRP CSC1(CNC(=O)NCc2ccc3c[nH+]cn3c2)CC[NH+](C)CC1 ZINC000563064235 306317478 /nfs/dbraw/zinc/31/74/78/306317478.db2.gz BZVGQEKEHJJPJZ-UHFFFAOYSA-N 2 0 347.488 1.961 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000563206672 306323549 /nfs/dbraw/zinc/32/35/49/306323549.db2.gz MNFHOSDWCUJLMG-KRWDZBQOSA-N 2 0 345.491 1.324 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000563343442 306328398 /nfs/dbraw/zinc/32/83/98/306328398.db2.gz WZDAAANIACCXCT-HNNXBMFYSA-N 2 0 331.382 1.403 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cn1 ZINC000190961092 540172566 /nfs/dbraw/zinc/17/25/66/540172566.db2.gz DXNQGLIOKIOWLW-UHFFFAOYSA-N 2 0 349.523 1.281 20 0 EDADRP CCC[N@@H+](CC(=O)NC1CC[NH+](CC)CC1)C[C@@H]1CCCCO1 ZINC000089126008 138273210 /nfs/dbraw/zinc/27/32/10/138273210.db2.gz IGQZDWWIIGSLNV-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000563583811 306339895 /nfs/dbraw/zinc/33/98/95/306339895.db2.gz AVZBMBGWNHIUDD-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000092747335 138290283 /nfs/dbraw/zinc/29/02/83/138290283.db2.gz KTMOWXVALNODOL-KGLIPLIRSA-N 2 0 340.537 1.927 20 0 EDADRP Cc1nccn1CCC[N@@H+](CC(=O)N1CCCC1)C[C@H]1CCCO1 ZINC000125294009 138333106 /nfs/dbraw/zinc/33/31/06/138333106.db2.gz MUFNDIPAQIGNMF-QGZVFWFLSA-N 2 0 334.464 1.685 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C1 ZINC000361892301 283319102 /nfs/dbraw/zinc/31/91/02/283319102.db2.gz FBQJWTOYPMGVCP-BRSBDYLESA-N 2 0 337.508 1.759 20 0 EDADRP C[C@@H](C(=O)NCc1cccs1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174714232 138686554 /nfs/dbraw/zinc/68/65/54/138686554.db2.gz PALUQJXEXTYFLS-HNNXBMFYSA-N 2 0 338.521 1.322 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N(C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413832371 304079403 /nfs/dbraw/zinc/07/94/03/304079403.db2.gz HWBONRGDFBZKMJ-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422842503 299286486 /nfs/dbraw/zinc/28/64/86/299286486.db2.gz YLDTVJIIQWCYFG-RDJZCZTQSA-N 3 0 338.540 1.733 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000564784330 306364445 /nfs/dbraw/zinc/36/44/45/306364445.db2.gz QIPVWSFDMPKIDA-XJKSGUPXSA-N 2 0 339.867 1.362 20 0 EDADRP CSC[C@H](O)C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000564844367 306366877 /nfs/dbraw/zinc/36/68/77/306366877.db2.gz KMSPOQDWNXHEQD-GOSISDBHSA-N 2 0 337.533 1.902 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCN(C)CC1 ZINC000564938639 306370606 /nfs/dbraw/zinc/37/06/06/306370606.db2.gz RMWBONOYNHWRCO-GOSISDBHSA-N 2 0 347.507 1.217 20 0 EDADRP Cc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)nn1C ZINC000414322504 304106188 /nfs/dbraw/zinc/10/61/88/304106188.db2.gz SUQUZUKSXVOXSP-UHFFFAOYSA-N 2 0 328.464 1.425 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCC2([NH3+])CCCCCC2)CC1(C)C ZINC000565704306 306388821 /nfs/dbraw/zinc/38/88/21/306388821.db2.gz CJRFYSDSYXZRQA-UHFFFAOYSA-N 2 0 339.528 1.363 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414342083 304108518 /nfs/dbraw/zinc/10/85/18/304108518.db2.gz PJDYPRGQILERCN-GFCCVEGCSA-N 2 0 327.375 1.734 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000566066472 306397564 /nfs/dbraw/zinc/39/75/64/306397564.db2.gz UQIASTOKEDTJGF-HKUYNNGSSA-N 2 0 344.503 1.261 20 0 EDADRP Cc1nc(C)c(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)s1 ZINC000414481264 304117951 /nfs/dbraw/zinc/11/79/51/304117951.db2.gz KBZUHBSAXDMTOQ-UHFFFAOYSA-N 2 0 338.521 1.646 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](CN(Cc2ccccc2)CC(F)F)C1 ZINC000414705130 304130404 /nfs/dbraw/zinc/13/04/04/304130404.db2.gz LCVMHKRKMJNFOI-OAHLLOKOSA-N 2 0 325.403 1.951 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C[C@H](c2ccc(F)cc2)O1 ZINC000414709989 304131309 /nfs/dbraw/zinc/13/13/09/304131309.db2.gz RHCLGGMKRJNPAK-IIDMSEBBSA-N 2 0 349.450 1.785 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C)CCC[NH3+] ZINC000414724696 304133444 /nfs/dbraw/zinc/13/34/44/304133444.db2.gz GBPJDNDBSIYIRX-OAHLLOKOSA-N 2 0 333.480 1.996 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000566512838 306417897 /nfs/dbraw/zinc/41/78/97/306417897.db2.gz KLKQFRZSTGXICG-ZOBUZTSGSA-N 2 0 330.476 1.804 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)cc1 ZINC000414988720 304148193 /nfs/dbraw/zinc/14/81/93/304148193.db2.gz PVWPOKOKLHTBEP-INIZCTEOSA-N 2 0 346.475 1.439 20 0 EDADRP CC(=O)Nc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414995901 304149174 /nfs/dbraw/zinc/14/91/74/304149174.db2.gz WQFRTGUSBYAAHI-OAHLLOKOSA-N 2 0 344.381 1.571 20 0 EDADRP COCCOc1cc(C)ccc1C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415090213 304158640 /nfs/dbraw/zinc/15/86/40/304158640.db2.gz XRAXWNOSIPMXPF-MRXNPFEDSA-N 2 0 349.475 1.307 20 0 EDADRP CCOc1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1OC ZINC000415119935 304161278 /nfs/dbraw/zinc/16/12/78/304161278.db2.gz FNJVZHJXHUCLOW-INIZCTEOSA-N 2 0 345.447 1.981 20 0 EDADRP [NH3+]CC1(O)CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000415140635 304163502 /nfs/dbraw/zinc/16/35/02/304163502.db2.gz LBFNWXZGVYRGCZ-UHFFFAOYSA-N 2 0 327.428 1.946 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000415158518 304167556 /nfs/dbraw/zinc/16/75/56/304167556.db2.gz FPLNTKGNXODRIQ-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000237195130 139043683 /nfs/dbraw/zinc/04/36/83/139043683.db2.gz FOHNZUJVXSXNJS-JKSUJKDBSA-N 2 0 325.497 1.629 20 0 EDADRP CN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000237287092 139046547 /nfs/dbraw/zinc/04/65/47/139046547.db2.gz QRHYCGBPJIYWGY-HZPDHXFCSA-N 2 0 330.476 1.674 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)N(C)C[C@H](O)C[NH3+])cc1 ZINC000415191959 304173222 /nfs/dbraw/zinc/17/32/22/304173222.db2.gz ZFRVAWWVGBYOMD-OAHLLOKOSA-N 2 0 338.452 1.191 20 0 EDADRP C[C@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000237554124 139053894 /nfs/dbraw/zinc/05/38/94/139053894.db2.gz DXGNUIFWIOIPIU-HXUWFJFHSA-N 2 0 344.503 1.453 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237602728 139055444 /nfs/dbraw/zinc/05/54/44/139055444.db2.gz ZZIMEWQCEXFNAT-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H](C[NH3+])C3)CC2)c1 ZINC000237718525 139058509 /nfs/dbraw/zinc/05/85/09/139058509.db2.gz VLBWGEUOWVYPJN-GOSISDBHSA-N 2 0 344.503 1.704 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000237901454 139063296 /nfs/dbraw/zinc/06/32/96/139063296.db2.gz VAYVHJGYZUKWAA-ROUUACIJSA-N 2 0 331.460 1.708 20 0 EDADRP NCc1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000238023408 139066877 /nfs/dbraw/zinc/06/68/77/139066877.db2.gz WBSFCBCJWMNVFR-UHFFFAOYSA-N 2 0 330.457 1.950 20 0 EDADRP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000415299183 304188492 /nfs/dbraw/zinc/18/84/92/304188492.db2.gz HRRIAEKGPUGSHA-KRWDZBQOSA-N 2 0 335.452 1.722 20 0 EDADRP CC[NH2+]CCNC(=O)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1 ZINC000415362794 304204163 /nfs/dbraw/zinc/20/41/63/304204163.db2.gz CDWWPSISHZOMFN-UHFFFAOYSA-N 2 0 342.399 1.847 20 0 EDADRP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1)C1CC1 ZINC000248071360 139157845 /nfs/dbraw/zinc/15/78/45/139157845.db2.gz MPOUFLAEFHJJPC-RTBURBONSA-N 2 0 345.487 1.899 20 0 EDADRP CCCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[NH2+]C1 ZINC000415409775 304215972 /nfs/dbraw/zinc/21/59/72/304215972.db2.gz ULHLAACPKBRUKA-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000249034834 139183463 /nfs/dbraw/zinc/18/34/63/139183463.db2.gz TVWBKFFQRDXBHQ-SJLPKXTDSA-N 2 0 348.491 1.120 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CCCC[C@H]1C)[C@H](C)N1CCOCC1 ZINC000253540805 139206624 /nfs/dbraw/zinc/20/66/24/139206624.db2.gz IQJFIZNNOJIRKG-PMPSAXMXSA-N 2 0 326.485 1.269 20 0 EDADRP NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000261737782 139222008 /nfs/dbraw/zinc/22/20/08/139222008.db2.gz NRBQLLVTGUHWFU-BBWFWOEESA-N 2 0 337.489 1.387 20 0 EDADRP COc1ccccc1CNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261760523 139223878 /nfs/dbraw/zinc/22/38/78/139223878.db2.gz VRMXXEVDNZQBCI-KRWDZBQOSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000261825991 139229510 /nfs/dbraw/zinc/22/95/10/139229510.db2.gz MUWOYDANEQBZIS-BRWVUGGUSA-N 2 0 337.508 1.724 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000261898687 139235055 /nfs/dbraw/zinc/23/50/55/139235055.db2.gz OOOBIMXBTPSOAC-KRWDZBQOSA-N 2 0 326.444 1.781 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(Cl)cc3c2OCC3)C1 ZINC000261867845 139232706 /nfs/dbraw/zinc/23/27/06/139232706.db2.gz KZNXUFDXWQHVNW-ZDUSSCGKSA-N 2 0 337.851 1.562 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OCC3CC3)cc2)C1 ZINC000261935735 139238473 /nfs/dbraw/zinc/23/84/73/139238473.db2.gz LZUJHXGOJWLTAH-KRWDZBQOSA-N 2 0 331.460 1.762 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000261964497 139240401 /nfs/dbraw/zinc/24/04/01/139240401.db2.gz HQAMOWVQQOPVGN-SFHVURJKSA-N 2 0 341.459 1.692 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000261988188 139242156 /nfs/dbraw/zinc/24/21/56/139242156.db2.gz QROBACVEPBAIKL-GXTWGEPZSA-N 2 0 326.238 1.477 20 0 EDADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000261991563 139242373 /nfs/dbraw/zinc/24/23/73/139242373.db2.gz MFNNRLJTFGXLFP-LBPRGKRZSA-N 2 0 345.447 1.505 20 0 EDADRP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262074401 139248719 /nfs/dbraw/zinc/24/87/19/139248719.db2.gz CZVCIURZNQBFBC-AWEZNQCLSA-N 2 0 329.473 1.685 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cn1 ZINC000262137935 139254264 /nfs/dbraw/zinc/25/42/64/139254264.db2.gz YXEHUKCJDXYZRS-MRXNPFEDSA-N 2 0 333.480 1.357 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)ccc21 ZINC000415543647 250998123 /nfs/dbraw/zinc/99/81/23/250998123.db2.gz XTZJTVHCXZULDJ-HOTGVXAUSA-N 2 0 330.432 1.028 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000415969225 251041183 /nfs/dbraw/zinc/04/11/83/251041183.db2.gz FJDNLDWSBJNACM-UHFFFAOYSA-N 2 0 346.475 1.982 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2)N1CC[NH2+]CC1 ZINC000262247820 139263315 /nfs/dbraw/zinc/26/33/15/139263315.db2.gz WSHZIOWTRQGRKJ-OAHLLOKOSA-N 2 0 331.416 1.374 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]C[C@H]1O)c1ccsc1 ZINC000417012847 251130071 /nfs/dbraw/zinc/13/00/71/251130071.db2.gz XSCRXCPGYKQLGZ-RBSFLKMASA-N 2 0 340.493 1.011 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417014720 251131779 /nfs/dbraw/zinc/13/17/79/251131779.db2.gz FTPVNMZOVUINHK-QGZVFWFLSA-N 2 0 347.507 1.088 20 0 EDADRP COC[C@]1(CNC(=O)NCCC[N@H+](C)C2CCCCC2)CCC[NH2+]1 ZINC000417015857 251133398 /nfs/dbraw/zinc/13/33/98/251133398.db2.gz NBNVFTILERHJDJ-GOSISDBHSA-N 2 0 340.512 1.709 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417020152 251134789 /nfs/dbraw/zinc/13/47/89/251134789.db2.gz RRRFTIDZBWKLQH-MAUKXSAKSA-N 2 0 330.476 1.814 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000416999240 251124529 /nfs/dbraw/zinc/12/45/29/251124529.db2.gz BSDLTENILUCMKA-ZWKOTPCHSA-N 2 0 332.492 1.848 20 0 EDADRP CC(C)(CNC(=O)N[C@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417085889 251141654 /nfs/dbraw/zinc/14/16/54/251141654.db2.gz DGLSVFAYPFKRBH-QGZVFWFLSA-N 2 0 330.476 1.860 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417498514 251180763 /nfs/dbraw/zinc/18/07/63/251180763.db2.gz GBYHQJCXAGPCDG-QYZOEREBSA-N 2 0 344.503 1.978 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](CC[N@H+](C)CCOC)c2ccccc2)C1 ZINC000417521554 251183200 /nfs/dbraw/zinc/18/32/00/251183200.db2.gz ZHMVECZSZKXTBG-QZTJIDSGSA-N 2 0 348.491 1.699 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417552156 251186897 /nfs/dbraw/zinc/18/68/97/251186897.db2.gz CDUFBORICLWZGK-JKSUJKDBSA-N 2 0 326.485 1.319 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCC1 ZINC000417593083 251202231 /nfs/dbraw/zinc/20/22/31/251202231.db2.gz JXNCEJDEMYHHFH-UHFFFAOYSA-N 2 0 346.475 1.842 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417596323 251202453 /nfs/dbraw/zinc/20/24/53/251202453.db2.gz ZUBWYRUHLRUEBD-QFBILLFUSA-N 2 0 330.476 1.902 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417615920 251206618 /nfs/dbraw/zinc/20/66/18/251206618.db2.gz YJJWWLONVAQVEJ-IAGOWNOFSA-N 2 0 340.512 1.646 20 0 EDADRP COc1cc(NC(=O)N[C@@H](C)C[NH+](C)C)ccc1OCC[NH+](C)C ZINC000417690574 251231433 /nfs/dbraw/zinc/23/14/33/251231433.db2.gz VFDCJRSEGWZDMK-ZDUSSCGKSA-N 2 0 338.452 1.707 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH2+]C)[C@@H](C)C1 ZINC000417667208 251221776 /nfs/dbraw/zinc/22/17/76/251221776.db2.gz GFFMQRCUMKLVAQ-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000417760024 251259839 /nfs/dbraw/zinc/25/98/39/251259839.db2.gz XBVXQPMSWUZRNE-DLBZAZTESA-N 2 0 334.464 1.091 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719165 251240756 /nfs/dbraw/zinc/24/07/56/251240756.db2.gz WLPLUCZMXNLZQD-ROUUACIJSA-N 2 0 348.491 1.830 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC[NH2+]C2CC2)Cc2ccccc2C1 ZINC000417732983 251246073 /nfs/dbraw/zinc/24/60/73/251246073.db2.gz HYSWSJKSVCUDCF-UHFFFAOYSA-N 2 0 330.476 1.527 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000417812392 251280244 /nfs/dbraw/zinc/28/02/44/251280244.db2.gz FFCKFEDXVIFQIE-MRXNPFEDSA-N 2 0 328.526 1.455 20 0 EDADRP C[NH2+]CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418079445 251321382 /nfs/dbraw/zinc/32/13/82/251321382.db2.gz YFRYXVOCERAYPG-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418104171 251322706 /nfs/dbraw/zinc/32/27/06/251322706.db2.gz JYANTSGYLVDLIV-GBESFXJTSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000418115400 251329227 /nfs/dbraw/zinc/32/92/27/251329227.db2.gz OFOQONDFKLNOIA-BZUAXINKSA-N 2 0 326.485 1.175 20 0 EDADRP Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)n(C)n1 ZINC000417862281 251302567 /nfs/dbraw/zinc/30/25/67/251302567.db2.gz BZXYJGXCZCSFNN-UHFFFAOYSA-N 2 0 327.476 1.766 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[N@@H+]1CCOC ZINC000418429295 251368443 /nfs/dbraw/zinc/36/84/43/251368443.db2.gz QHDZAMFBBRIGCG-BBWFWOEESA-N 2 0 340.512 1.646 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418163475 251350186 /nfs/dbraw/zinc/35/01/86/251350186.db2.gz DLQJRYXPYWSJHF-UXLLHSPISA-N 2 0 334.464 1.355 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000418192900 251353745 /nfs/dbraw/zinc/35/37/45/251353745.db2.gz ZEDHPODBVPPZMJ-KVSKMBFKSA-N 2 0 348.491 1.746 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418721184 251397082 /nfs/dbraw/zinc/39/70/82/251397082.db2.gz LXQYUUTZUGXOAX-LSDHHAIUSA-N 2 0 347.463 1.439 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC1 ZINC000418526777 251376351 /nfs/dbraw/zinc/37/63/51/251376351.db2.gz OHMYJZQJJUVKAY-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262623995 139290928 /nfs/dbraw/zinc/29/09/28/139290928.db2.gz FNIOCPMGJHVFHD-ZWKOTPCHSA-N 2 0 347.503 1.922 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CCCCCC[NH3+])cc2)CC1 ZINC000262628340 139291323 /nfs/dbraw/zinc/29/13/23/139291323.db2.gz CVCBXQZNWNKZKZ-UHFFFAOYSA-N 2 0 346.519 1.959 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000262672350 139295279 /nfs/dbraw/zinc/29/52/79/139295279.db2.gz PETGZPBLNDGLOH-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422889625 252011434 /nfs/dbraw/zinc/01/14/34/252011434.db2.gz PYRZVRBFXKOZHR-VQIMIIECSA-N 3 0 346.519 1.991 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000422900906 252016405 /nfs/dbraw/zinc/01/64/05/252016405.db2.gz KHNGXKFBCATKGJ-NVXWUHKLSA-N 2 0 339.505 1.933 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000422851521 252000880 /nfs/dbraw/zinc/00/08/80/252000880.db2.gz WXBUPEXVYKJREQ-MJGOQNOKSA-N 3 0 331.508 1.571 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423044098 252027717 /nfs/dbraw/zinc/02/77/17/252027717.db2.gz ATOCPWVCKZOQIX-DOTOQJQBSA-N 2 0 337.489 1.834 20 0 EDADRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)nnn1-c1ccccc1 ZINC000423182592 252043507 /nfs/dbraw/zinc/04/35/07/252043507.db2.gz QMWDCZCABBSZDI-HNNXBMFYSA-N 2 0 328.464 1.522 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000423352831 252050976 /nfs/dbraw/zinc/05/09/76/252050976.db2.gz CAPNZVJFMTZUFT-SFHVURJKSA-N 2 0 345.487 1.436 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[C@@H]2CCC[NH2+]2)cc1 ZINC000423484426 252055573 /nfs/dbraw/zinc/05/55/73/252055573.db2.gz RBDDTTXMQLPOTD-UKRRQHHQSA-N 2 0 325.478 1.778 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906275 252018696 /nfs/dbraw/zinc/01/86/96/252018696.db2.gz JLCGCTCVUUZKCD-MSOLQXFVSA-N 2 0 332.492 1.728 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423791195 252076011 /nfs/dbraw/zinc/07/60/11/252076011.db2.gz HCYJEZCMFVDBGX-QRVBRYPASA-N 2 0 344.503 1.996 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424144553 252141801 /nfs/dbraw/zinc/14/18/01/252141801.db2.gz LRVAONNQABLAFJ-HZPDHXFCSA-N 2 0 347.507 1.595 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424150940 252146167 /nfs/dbraw/zinc/14/61/67/252146167.db2.gz ZYWCJFBGALZXDN-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)([NH+](C)C)C1 ZINC000424155200 252148147 /nfs/dbraw/zinc/14/81/47/252148147.db2.gz MLGADGJECJZLDN-IIDMSEBBSA-N 2 0 348.495 1.443 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)c1 ZINC000424130379 252134506 /nfs/dbraw/zinc/13/45/06/252134506.db2.gz HNPRDSRJDUAXIZ-OAHLLOKOSA-N 2 0 328.420 1.517 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424132574 252136024 /nfs/dbraw/zinc/13/60/24/252136024.db2.gz KYDGATGCCRWAGR-OAGGEKHMSA-N 2 0 348.495 1.300 20 0 EDADRP C[C@@H](C(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1)[C@H]([NH3+])c1ccccc1 ZINC000424245834 252177561 /nfs/dbraw/zinc/17/75/61/252177561.db2.gz VCLAQVACQLNSGC-ZFVVBOAOSA-N 2 0 327.432 1.009 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286404 224084083 /nfs/dbraw/zinc/08/40/83/224084083.db2.gz ZSUQGHCUYOFRKC-HGTKMLMNSA-N 2 0 336.432 1.473 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1cc(C[NH+]2CCSCC2)ccc1C ZINC000262940253 139314045 /nfs/dbraw/zinc/31/40/45/139314045.db2.gz UMEBJLHAUVGMIH-OAHLLOKOSA-N 2 0 337.489 1.846 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000424320405 252196237 /nfs/dbraw/zinc/19/62/37/252196237.db2.gz RNMCHDZZHOABGC-CZUORRHYSA-N 2 0 333.432 1.425 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000111832047 285024492 /nfs/dbraw/zinc/02/44/92/285024492.db2.gz BMMAWXUEZSTYCG-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000263197778 139327825 /nfs/dbraw/zinc/32/78/25/139327825.db2.gz IPZHJXZNCRTGCO-JSGCOSHPSA-N 2 0 340.349 1.561 20 0 EDADRP C[C@@H](CC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000263256801 139331477 /nfs/dbraw/zinc/33/14/77/139331477.db2.gz LDMRLTPKUSKLKU-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)ccc1C[NH+](C)C ZINC000415675329 304253884 /nfs/dbraw/zinc/25/38/84/304253884.db2.gz LQBGYZIHMVCIMR-CZUORRHYSA-N 2 0 332.448 1.252 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@@H]([NH+](C)C)C2)ccn1 ZINC000153588413 224126931 /nfs/dbraw/zinc/12/69/31/224126931.db2.gz FTNFDEVFQGNLCH-MRXNPFEDSA-N 2 0 349.479 1.258 20 0 EDADRP O=C(C[NH2+][C@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000570271639 306534834 /nfs/dbraw/zinc/53/48/34/306534834.db2.gz HQQHQKOFHAORSS-AWEZNQCLSA-N 2 0 338.249 1.458 20 0 EDADRP COC[C@@H](C)NC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369879409 285206368 /nfs/dbraw/zinc/20/63/68/285206368.db2.gz ZNTJQTGUCGECBJ-QFWMXSHPSA-N 2 0 336.402 1.941 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000570321156 306537216 /nfs/dbraw/zinc/53/72/16/306537216.db2.gz SKPFBBSXVFOWIF-KRWDZBQOSA-N 2 0 331.464 1.412 20 0 EDADRP CN(C)[C@@H](CNC(=O)NCc1cn2c(n1)CCCC2)c1ccco1 ZINC000263743479 139357247 /nfs/dbraw/zinc/35/72/47/139357247.db2.gz IPDPZDBIXDHZJF-AWEZNQCLSA-N 2 0 331.420 1.915 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000263808600 139361952 /nfs/dbraw/zinc/36/19/52/139361952.db2.gz YZQOEABFYFMEEP-UHFFFAOYSA-N 2 0 336.480 1.338 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC[C@@H]1CCCO1 ZINC000337581028 285242581 /nfs/dbraw/zinc/24/25/81/285242581.db2.gz NUAYREZRRGJAIE-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000486947039 255020430 /nfs/dbraw/zinc/02/04/30/255020430.db2.gz QXJOEBLTSGVGPI-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)c2)CC1 ZINC000487179065 255028100 /nfs/dbraw/zinc/02/81/00/255028100.db2.gz CQDFHWMKDJPVFV-YJBOKZPZSA-N 2 0 330.476 1.965 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](OC)C(C)C ZINC000342253527 285244232 /nfs/dbraw/zinc/24/42/32/285244232.db2.gz UURFBZAKBFWQQR-SJORKVTESA-N 2 0 342.528 1.715 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756214 285246540 /nfs/dbraw/zinc/24/65/40/285246540.db2.gz ABLLZALOAPGVIB-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000494287698 255244255 /nfs/dbraw/zinc/24/42/55/255244255.db2.gz LROYRVYKNUWFLN-MRXNPFEDSA-N 2 0 337.464 1.005 20 0 EDADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000494553828 255253269 /nfs/dbraw/zinc/25/32/69/255253269.db2.gz HBUMGKGELHWGKF-ILXRZTDVSA-N 2 0 329.485 1.725 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C)C(C)C ZINC000494872908 255263723 /nfs/dbraw/zinc/26/37/23/255263723.db2.gz VUWSNIVIRFKKJY-MRXNPFEDSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495174064 255271364 /nfs/dbraw/zinc/27/13/64/255271364.db2.gz MXDIYVPKTVSGEF-UHFFFAOYSA-N 2 0 327.388 1.650 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCNC(=O)OC(C)(C)C)CC1 ZINC000495863111 255332863 /nfs/dbraw/zinc/33/28/63/255332863.db2.gz BXYJVZHPRMRBCH-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000495998271 255339113 /nfs/dbraw/zinc/33/91/13/255339113.db2.gz NOHZAAIQRBXPQJ-QQFBHYJXSA-N 2 0 340.512 1.658 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496238669 255368867 /nfs/dbraw/zinc/36/88/67/255368867.db2.gz MGTKAYFXLPNIFX-CYBMUJFWSA-N 2 0 327.473 1.357 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc2c(c1)nnn2C ZINC000349063593 285282366 /nfs/dbraw/zinc/28/23/66/285282366.db2.gz QTQJNIVBUCNMJB-KRWDZBQOSA-N 2 0 344.507 1.816 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417756147 285321688 /nfs/dbraw/zinc/32/16/88/285321688.db2.gz RWUDOMBWFBZPRO-NVXWUHKLSA-N 2 0 339.528 1.077 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)C[C@@H]1[NH3+] ZINC000415835966 304279559 /nfs/dbraw/zinc/27/95/59/304279559.db2.gz WTBCZXQURHMTQS-GUYCJALGSA-N 2 0 344.459 1.067 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000264331890 139397934 /nfs/dbraw/zinc/39/79/34/139397934.db2.gz TWYPLTGFKBJHLG-INIZCTEOSA-N 2 0 345.491 1.820 20 0 EDADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000183558500 533570611 /nfs/dbraw/zinc/57/06/11/533570611.db2.gz FCGPNORVCGREOL-HZPDHXFCSA-N 2 0 349.475 1.525 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000571522082 306567428 /nfs/dbraw/zinc/56/74/28/306567428.db2.gz FBPIFGAVGWTEPL-SJORKVTESA-N 2 0 345.491 1.658 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)C2CCCCC2)CC[NH2+]CC1 ZINC000571632892 306570442 /nfs/dbraw/zinc/57/04/42/306570442.db2.gz HGVRPTGBNRWWKO-ZBFHGGJFSA-N 2 0 326.481 1.839 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@@H+]1CCO ZINC000416302444 304306587 /nfs/dbraw/zinc/30/65/87/304306587.db2.gz GCWJHLQCKLDNDR-RYRKJORJSA-N 2 0 333.476 1.593 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000571994212 306578812 /nfs/dbraw/zinc/57/88/12/306578812.db2.gz MQDMDXFDRWEUEM-GOSISDBHSA-N 2 0 341.540 1.560 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331352189 141010640 /nfs/dbraw/zinc/01/06/40/141010640.db2.gz ONKZEVRKCJCGIJ-DLBZAZTESA-N 2 0 339.524 1.704 20 0 EDADRP C[C@H]1C[C@@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[N@@H+]1C1CC1 ZINC000331504560 141040017 /nfs/dbraw/zinc/04/00/17/141040017.db2.gz LZZNZZJYVAXWFT-DZGCQCFKSA-N 2 0 337.489 1.652 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)Cn3cccn3)CC2)C[C@@H](C)O1 ZINC000331907235 141096505 /nfs/dbraw/zinc/09/65/05/141096505.db2.gz LMCFPKZAYAJIOV-JFIYKMOQSA-N 2 0 336.480 1.065 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C[C@@H]1[NH3+] ZINC000332250206 141146907 /nfs/dbraw/zinc/14/69/07/141146907.db2.gz CJVXVZDVGXJTRT-GUYCJALGSA-N 2 0 334.439 1.779 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)Cc2ccccc2C1 ZINC000333433978 141316590 /nfs/dbraw/zinc/31/65/90/141316590.db2.gz VCPFIJKGMYPULE-OKZBNKHCSA-N 2 0 342.487 1.464 20 0 EDADRP OC[C@H]1CCCN(c2cc(N3CCC[C@]4(CC[NH2+]C4)C3)ncn2)C1 ZINC000333469148 141322453 /nfs/dbraw/zinc/32/24/53/141322453.db2.gz DBXPRSPRVNKQFE-MAUKXSAKSA-N 2 0 331.464 1.265 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)[C@@H]1C ZINC000333526076 141331738 /nfs/dbraw/zinc/33/17/38/141331738.db2.gz HGOSXBRJEMXYAM-HUUCEWRRSA-N 2 0 331.464 1.690 20 0 EDADRP C[C@@H](NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000340254493 142321089 /nfs/dbraw/zinc/32/10/89/142321089.db2.gz HYDHTRAGGMECNN-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP Cc1c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nnn1C(C)C ZINC000340283656 142329477 /nfs/dbraw/zinc/32/94/77/142329477.db2.gz NOGTUDLBWLKVPM-UHFFFAOYSA-N 2 0 338.500 1.513 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CCC[N@@H+]1C ZINC000345319950 143077325 /nfs/dbraw/zinc/07/73/25/143077325.db2.gz MQRSBGDLQGOEES-LPHOPBHVSA-N 2 0 344.503 1.647 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000345666396 143118825 /nfs/dbraw/zinc/11/88/25/143118825.db2.gz NIGJYNPCDHIYNW-CVEARBPZSA-N 2 0 328.501 1.466 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000345834504 143138204 /nfs/dbraw/zinc/13/82/04/143138204.db2.gz ZFYUPDOKDNHXHZ-AWEZNQCLSA-N 2 0 327.375 1.564 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)[NH+](C)C1 ZINC000346227119 143181048 /nfs/dbraw/zinc/18/10/48/143181048.db2.gz BLWOFHDIKYKTMO-YYIAUSFCSA-N 2 0 340.512 1.467 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@H+](C)C1 ZINC000346700959 143234200 /nfs/dbraw/zinc/23/42/00/143234200.db2.gz JBFNEWMVTSBBTC-CVEARBPZSA-N 2 0 325.497 1.676 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccc3c[nH]nc3c2)C1)N1CC[NH2+]CC1 ZINC000347025444 143273246 /nfs/dbraw/zinc/27/32/46/143273246.db2.gz SENNYYYZXSLOCB-MRXNPFEDSA-N 2 0 327.432 1.207 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](CC(C)C)CC2)C1 ZINC000347034610 143274353 /nfs/dbraw/zinc/27/43/53/143274353.db2.gz CQDJVMKDRIALMV-INIZCTEOSA-N 2 0 326.485 1.127 20 0 EDADRP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347051786 143276610 /nfs/dbraw/zinc/27/66/10/143276610.db2.gz REKQCMNHXKEIQG-HNNXBMFYSA-N 2 0 347.507 1.189 20 0 EDADRP CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347207353 143294865 /nfs/dbraw/zinc/29/48/65/143294865.db2.gz MWMVXUVWYMCOTC-KRWDZBQOSA-N 2 0 331.460 1.729 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)CCO1 ZINC000347562711 143335275 /nfs/dbraw/zinc/33/52/75/143335275.db2.gz UKLKTXFOPRTAMQ-AWEZNQCLSA-N 2 0 329.444 1.615 20 0 EDADRP COC(=O)CN(C)C(=O)CC[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000347575641 143336581 /nfs/dbraw/zinc/33/65/81/143336581.db2.gz XMSWZHOLJYVBSY-UHFFFAOYSA-N 2 0 327.469 1.062 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347704131 143352145 /nfs/dbraw/zinc/35/21/45/143352145.db2.gz REMMTZDBTWMZAU-INIZCTEOSA-N 2 0 347.507 1.540 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C(=O)OC)n(C)c2)C1 ZINC000347874706 143373291 /nfs/dbraw/zinc/37/32/91/143373291.db2.gz WCTNGSKJQPFNFC-INIZCTEOSA-N 2 0 337.464 1.744 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000347931359 143380634 /nfs/dbraw/zinc/38/06/34/143380634.db2.gz SFWRFGLYJQBQQU-ROUUACIJSA-N 2 0 346.475 1.469 20 0 EDADRP CSC[C@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000573110811 306612073 /nfs/dbraw/zinc/61/20/73/306612073.db2.gz GFAUFKJNNZRHSR-DZGCQCFKSA-N 2 0 341.496 1.952 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1(C)CC[NH2+]CC1)Cc1ccccc1 ZINC000416843582 304351079 /nfs/dbraw/zinc/35/10/79/304351079.db2.gz PDRTYVKYTRMIDL-KRWDZBQOSA-N 2 0 332.492 1.848 20 0 EDADRP Cc1nn(-c2ccccc2)cc1CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000352691667 149118031 /nfs/dbraw/zinc/11/80/31/149118031.db2.gz NAANIBCRGSEPHE-IBGZPJMESA-N 2 0 325.460 1.660 20 0 EDADRP CSC[C@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352887239 149204704 /nfs/dbraw/zinc/20/47/04/149204704.db2.gz RWGIPLCIAOZUEU-RTBURBONSA-N 2 0 349.544 1.602 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@@H](C)O1 ZINC000416959857 304355389 /nfs/dbraw/zinc/35/53/89/304355389.db2.gz ZLBHXAULCYFTJK-ZJIFWQFVSA-N 2 0 326.485 1.112 20 0 EDADRP CC1CC[NH+](C[C@@H](O)C[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000353307860 149360130 /nfs/dbraw/zinc/36/01/30/149360130.db2.gz LTBKBSHQFNZFJV-FQEVSTJZSA-N 2 0 346.519 1.728 20 0 EDADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000348029260 286105790 /nfs/dbraw/zinc/10/57/90/286105790.db2.gz RJUOZEQBQVTCLQ-MSOLQXFVSA-N 2 0 337.508 1.819 20 0 EDADRP CCCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[NH2+]C1 ZINC000416968728 304356942 /nfs/dbraw/zinc/35/69/42/304356942.db2.gz JQKWYXDKHUDETM-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C[NH2+]1 ZINC000416970016 304357426 /nfs/dbraw/zinc/35/74/26/304357426.db2.gz MKUDMLNWWTUNET-HUUCEWRRSA-N 2 0 334.464 1.519 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000416969061 304357430 /nfs/dbraw/zinc/35/74/30/304357430.db2.gz KAJKPRJWXBDQTO-KRWDZBQOSA-N 2 0 334.464 1.396 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1 ZINC000416972339 304358347 /nfs/dbraw/zinc/35/83/47/304358347.db2.gz GANOCQZYTLZBMG-AWEZNQCLSA-N 2 0 344.406 1.409 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416974154 304358521 /nfs/dbraw/zinc/35/85/21/304358521.db2.gz WKKXSJVVNIITQF-SOUVJXGZSA-N 2 0 334.464 1.442 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000416982251 304361232 /nfs/dbraw/zinc/36/12/32/304361232.db2.gz DVASZTSXGRRIMV-MRXNPFEDSA-N 2 0 348.491 1.816 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000355202517 150164191 /nfs/dbraw/zinc/16/41/91/150164191.db2.gz WCXLTAGSJUXSAG-INIZCTEOSA-N 2 0 331.464 1.071 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000417029574 304362599 /nfs/dbraw/zinc/36/25/99/304362599.db2.gz CCQGITRMDDLUNK-XDNAFOTISA-N 2 0 336.524 1.995 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000355482541 150287471 /nfs/dbraw/zinc/28/74/71/150287471.db2.gz PLOOZHABMPMRBI-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCN2Cc2ccccc2)CCSC1 ZINC000355534645 150305516 /nfs/dbraw/zinc/30/55/16/150305516.db2.gz OXUAPERKVSVRLQ-SJLPKXTDSA-N 2 0 333.501 1.814 20 0 EDADRP COC[C@@]1(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417032359 304363358 /nfs/dbraw/zinc/36/33/58/304363358.db2.gz FCZMECNFBKASTA-WMZOPIPTSA-N 2 0 340.512 1.566 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000417040479 304365218 /nfs/dbraw/zinc/36/52/18/304365218.db2.gz XWBDCWZGRDUNOA-CQSZACIVSA-N 2 0 332.439 1.795 20 0 EDADRP COc1ccccc1NC(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000357655514 151104351 /nfs/dbraw/zinc/10/43/51/151104351.db2.gz ZQZDUYYLXLJFNI-OAHLLOKOSA-N 2 0 349.475 1.658 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000358059089 151251677 /nfs/dbraw/zinc/25/16/77/151251677.db2.gz DCZJBHWUIFYMMC-APWZRJJASA-N 2 0 349.450 1.221 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358313840 151334838 /nfs/dbraw/zinc/33/48/38/151334838.db2.gz NWWMRCMQNPGGOO-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000360789599 152206166 /nfs/dbraw/zinc/20/61/66/152206166.db2.gz VWMJDAMOSNQRIE-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000360897632 152245230 /nfs/dbraw/zinc/24/52/30/152245230.db2.gz MWLKZGHGOGGHAY-IYBDPMFKSA-N 2 0 325.497 1.819 20 0 EDADRP O=C(CN1CCc2sccc2C1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000370137560 155343021 /nfs/dbraw/zinc/34/30/21/155343021.db2.gz CRCXBXBOZSVFOZ-OAHLLOKOSA-N 2 0 349.500 1.287 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360974328 152268165 /nfs/dbraw/zinc/26/81/65/152268165.db2.gz YQMPPWGEYWIOOO-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361351278 152369030 /nfs/dbraw/zinc/36/90/30/152369030.db2.gz KWWMOKLQTGDKRM-HXUWFJFHSA-N 2 0 346.519 1.873 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000417155642 304378702 /nfs/dbraw/zinc/37/87/02/304378702.db2.gz LRDBSMZJTBZZNT-CQSZACIVSA-N 2 0 334.439 1.793 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361615141 152449177 /nfs/dbraw/zinc/44/91/77/152449177.db2.gz HFTRCYVMOSABIH-UHFFFAOYSA-N 2 0 341.415 1.683 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H](C)C[NH2+]C)[C@H]1CC12CC[NH2+]CC2 ZINC000370163779 155357874 /nfs/dbraw/zinc/35/78/74/155357874.db2.gz QHAODVUNYIHOBU-GJZGRUSLSA-N 2 0 333.480 1.229 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000417165022 304379602 /nfs/dbraw/zinc/37/96/02/304379602.db2.gz VKBMXECXNGQBNE-KRWDZBQOSA-N 2 0 334.439 1.923 20 0 EDADRP CCCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000417178420 304381020 /nfs/dbraw/zinc/38/10/20/304381020.db2.gz DPFHQENSUZTUEZ-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000417192792 304382729 /nfs/dbraw/zinc/38/27/29/304382729.db2.gz KWAJUUAVKRNGKD-QZTJIDSGSA-N 2 0 332.492 1.848 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000364332535 153207331 /nfs/dbraw/zinc/20/73/31/153207331.db2.gz PQAQVWAUXQNXKC-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@@]1(F)CNCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000417263234 304388199 /nfs/dbraw/zinc/38/81/99/304388199.db2.gz KJCLSLOFWZBAFM-QGZVFWFLSA-N 2 0 331.395 1.715 20 0 EDADRP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367670894 154223349 /nfs/dbraw/zinc/22/33/49/154223349.db2.gz HUTPWZKBCVLOSM-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](CC)C[C@H]3C)C2)no1 ZINC000367703461 154234937 /nfs/dbraw/zinc/23/49/37/154234937.db2.gz YNAGIBYYHSXCLX-OWCLPIDISA-N 2 0 335.496 1.916 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000367790069 154271388 /nfs/dbraw/zinc/27/13/88/154271388.db2.gz DXNKUHRUJZZDDO-SJLPKXTDSA-N 2 0 336.524 1.534 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H](CO)c1cccnc1 ZINC000367906712 154320559 /nfs/dbraw/zinc/32/05/59/154320559.db2.gz YXPGABKXORLUSG-XGXHKWSGSA-N 2 0 333.476 1.637 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417373430 304395240 /nfs/dbraw/zinc/39/52/40/304395240.db2.gz YBBXEFZNTUUJSV-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C ZINC000369447705 155039250 /nfs/dbraw/zinc/03/92/50/155039250.db2.gz KZZATYYADDUJIZ-XHSDSOJGSA-N 2 0 340.512 1.515 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)C[C@H](C)O1 ZINC000369582301 155097704 /nfs/dbraw/zinc/09/77/04/155097704.db2.gz AJJUNGHXWGRJDQ-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000371908120 156162707 /nfs/dbraw/zinc/16/27/07/156162707.db2.gz ZNUCUKKQLIAMHZ-CGTJXYLNSA-N 2 0 337.508 1.412 20 0 EDADRP CN(C)c1ccnc(C(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000371972823 156190934 /nfs/dbraw/zinc/19/09/34/156190934.db2.gz HKVSWTPGCSYFGJ-KRWDZBQOSA-N 2 0 345.491 1.388 20 0 EDADRP CCC[C@@H](C(=O)N1CCC(CC[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000372356353 156349663 /nfs/dbraw/zinc/34/96/63/156349663.db2.gz LDIFJAOFCDXPTM-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1[NH3+] ZINC000417527981 304403302 /nfs/dbraw/zinc/40/33/02/304403302.db2.gz OQEZBZKAOQBSLH-YOEHRIQHSA-N 2 0 334.464 1.158 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](CCN3CCOC[C@H]3C)CC2)CC1 ZINC000374150404 157167028 /nfs/dbraw/zinc/16/70/28/157167028.db2.gz FMUXUDIAPLNSBK-GOSISDBHSA-N 2 0 338.540 1.199 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374285819 157226627 /nfs/dbraw/zinc/22/66/27/157226627.db2.gz DLOPGKUYCFXWFK-ZIAGYGMSSA-N 2 0 336.480 1.417 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC(=O)NCc1ccccc1F ZINC000374424348 157286699 /nfs/dbraw/zinc/28/66/99/157286699.db2.gz ZLYIAASQHCOMAP-NJAFHUGGSA-N 2 0 349.450 1.625 20 0 EDADRP Cc1cc(N2CCC(N(C)C(=O)[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)n1 ZINC000374461760 157298986 /nfs/dbraw/zinc/29/89/86/157298986.db2.gz ZAVAOFVYXZHFCM-HNNXBMFYSA-N 2 0 345.491 1.945 20 0 EDADRP CCC(CC)(CCO)NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000374655436 157356952 /nfs/dbraw/zinc/35/69/52/157356952.db2.gz NKLSCSKXUJXYSL-HNNXBMFYSA-N 2 0 340.512 1.395 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)[C@@H]3CCC[C@H]3[NH3+])CCCCCC2)CC1 ZINC000378199595 158106101 /nfs/dbraw/zinc/10/61/01/158106101.db2.gz AQRLORDOYDKTIE-IAGOWNOFSA-N 2 0 336.524 1.570 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)C3([NH3+])CCCCC3)CC2)CC1 ZINC000378205620 158109014 /nfs/dbraw/zinc/10/90/14/158109014.db2.gz MZDNYUXEIKQEQM-UHFFFAOYSA-N 2 0 336.524 1.667 20 0 EDADRP CC[C@@H](C)[C@@H](O)C(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000378305333 158134564 /nfs/dbraw/zinc/13/45/64/158134564.db2.gz BNHGRKGYOFYSAY-CRAIPNDOSA-N 2 0 339.524 1.706 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc1F ZINC000417940512 304435144 /nfs/dbraw/zinc/43/51/44/304435144.db2.gz XYNLHNUNRYBYFC-CYBMUJFWSA-N 2 0 332.370 1.669 20 0 EDADRP c1ccc(-c2noc(CCC[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000352494475 162211575 /nfs/dbraw/zinc/21/15/75/162211575.db2.gz CEPKEQSCIKNTIK-QGZVFWFLSA-N 2 0 341.459 1.649 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000074109427 287267523 /nfs/dbraw/zinc/26/75/23/287267523.db2.gz MXWYDPCSKFPLAE-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[N@H+](C)C1CC1 ZINC000074100624 287267614 /nfs/dbraw/zinc/26/76/14/287267614.db2.gz SDCNMDYKROYYSE-GOEBONIOSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N[C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000074133898 287268148 /nfs/dbraw/zinc/26/81/48/287268148.db2.gz DJINMFOPYOYJEI-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000074134188 287268231 /nfs/dbraw/zinc/26/82/31/287268231.db2.gz HPHSFADKFYZGBF-IRXDYDNUSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418289420 304475183 /nfs/dbraw/zinc/47/51/83/304475183.db2.gz XWALWKRYWSLXJJ-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000130287569 287490073 /nfs/dbraw/zinc/49/00/73/287490073.db2.gz IRGUCQIQICLBPA-QAPCUYQASA-N 2 0 331.460 1.948 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[NH2+]C2)CCOCC1)c1ccccc1 ZINC000237402413 273009711 /nfs/dbraw/zinc/00/97/11/273009711.db2.gz GZXIZPIKUPVCKH-WBVHZDCISA-N 2 0 331.460 1.612 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000237758061 273012592 /nfs/dbraw/zinc/01/25/92/273012592.db2.gz ZLOOAXUTZMJOFZ-SFHVURJKSA-N 2 0 349.450 1.675 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000236996473 267922661 /nfs/dbraw/zinc/92/26/61/267922661.db2.gz FZEBJMWTTASYDJ-INIZCTEOSA-N 2 0 330.476 1.558 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000274381065 268131652 /nfs/dbraw/zinc/13/16/52/268131652.db2.gz AVWWUSXSAVXSML-CQSZACIVSA-N 2 0 327.428 1.913 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000274672070 268180464 /nfs/dbraw/zinc/18/04/64/268180464.db2.gz IFHIDGKYMJYQBY-NUJGCVRESA-N 2 0 333.476 1.762 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972287 268254198 /nfs/dbraw/zinc/25/41/98/268254198.db2.gz YDUWKSKMNHERGR-DFQSSKMNSA-N 2 0 330.520 1.732 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000273977378 273063980 /nfs/dbraw/zinc/06/39/80/273063980.db2.gz HIFBCQHOBSXQHC-NVXWUHKLSA-N 2 0 329.448 1.280 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000274535639 273093554 /nfs/dbraw/zinc/09/35/54/273093554.db2.gz JNIGQHCYTRSLAK-UHFFFAOYSA-N 2 0 333.476 1.329 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@](C)(O)CC1)c1ccccc1 ZINC000280163547 273346679 /nfs/dbraw/zinc/34/66/79/273346679.db2.gz SESNOWMYXDQOKB-IEBWSBKVSA-N 2 0 333.476 1.642 20 0 EDADRP Cn1cc(-c2ccc(C[NH2+]CCCN3CC[NH+](C)CC3)s2)cn1 ZINC000282252078 273615948 /nfs/dbraw/zinc/61/59/48/273615948.db2.gz MYVCEYBMDDHEOE-UHFFFAOYSA-N 2 0 333.505 1.876 20 0 EDADRP CC[NH+](CC)CC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188180560 276092940 /nfs/dbraw/zinc/09/29/40/276092940.db2.gz VLABKHWFOITVIP-LJQANCHMSA-N 2 0 333.476 1.424 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C(C)(C)C)[C@H](O)C2)CC1 ZINC000331360519 276359193 /nfs/dbraw/zinc/35/91/93/276359193.db2.gz XXCBWIKJJVEMBF-JKSUJKDBSA-N 2 0 325.497 1.316 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3[C@@H](C)CCC[C@@H]3C)C2)CC1 ZINC000245935008 276386165 /nfs/dbraw/zinc/38/61/65/276386165.db2.gz RSAABAJTHLMFQD-OKZBNKHCSA-N 2 0 336.524 1.488 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423897096 277328452 /nfs/dbraw/zinc/32/84/52/277328452.db2.gz HCRWUCBHMLPEOK-NJAFHUGGSA-N 2 0 333.476 1.767 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333281878 278047505 /nfs/dbraw/zinc/04/75/05/278047505.db2.gz MPZPOFAXXJESQN-NBOOPKSLSA-N 2 0 347.507 1.650 20 0 EDADRP Cc1nccn1CC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286662040 288056785 /nfs/dbraw/zinc/05/67/85/288056785.db2.gz FZCAWWWZILSJDD-FUHWJXTLSA-N 2 0 330.480 1.940 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000286667223 288058046 /nfs/dbraw/zinc/05/80/46/288058046.db2.gz UYWDPSHCOHZHAY-NXWXRZEISA-N 2 0 345.487 1.611 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000332232966 278940788 /nfs/dbraw/zinc/94/07/88/278940788.db2.gz PSIFCUMXGLRASV-HZPDHXFCSA-N 2 0 331.526 1.686 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000352220669 279108179 /nfs/dbraw/zinc/10/81/79/279108179.db2.gz DCBZMIPBDOBRCT-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000339942430 279116609 /nfs/dbraw/zinc/11/66/09/279116609.db2.gz FOBMQVSNNSRFGK-OAGGEKHMSA-N 2 0 328.501 1.515 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420122012 279142167 /nfs/dbraw/zinc/14/21/67/279142167.db2.gz KTPKLYAMDRPTCU-UONOGXRCSA-N 2 0 334.464 1.169 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341326687 279332199 /nfs/dbraw/zinc/33/21/99/279332199.db2.gz XORQNLURUHGMRI-HOTGVXAUSA-N 2 0 325.522 1.804 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(OC)c1 ZINC000287198676 288178826 /nfs/dbraw/zinc/17/88/26/288178826.db2.gz DQEHVCMNOCYGKO-INIZCTEOSA-N 2 0 349.479 1.970 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000287459598 288242796 /nfs/dbraw/zinc/24/27/96/288242796.db2.gz GZQYTAJNGWIJNL-CVEARBPZSA-N 2 0 348.491 1.345 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3c[nH]c4nccnc34)cn2)CC1 ZINC000290775139 288951129 /nfs/dbraw/zinc/95/11/29/288951129.db2.gz BRMJNFQFBJKQPJ-UHFFFAOYSA-N 2 0 337.431 1.395 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341070495 289138074 /nfs/dbraw/zinc/13/80/74/289138074.db2.gz QGFBNLSNXKJNBM-ULQDDVLXSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246567898 289272072 /nfs/dbraw/zinc/27/20/72/289272072.db2.gz GLIZBZHUFNSHIJ-XDNAFOTISA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000292426075 289343961 /nfs/dbraw/zinc/34/39/61/289343961.db2.gz VTHICAKHYMKEDM-RHSMWYFYSA-N 2 0 349.500 1.941 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860406 289604791 /nfs/dbraw/zinc/60/47/91/289604791.db2.gz MAUOMMOJEUJRFQ-YVWKXTFCSA-N 3 0 344.503 1.468 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000333939170 295318719 /nfs/dbraw/zinc/31/87/19/295318719.db2.gz NAAPWMHGWWOMDC-NCOADZHNSA-N 2 0 336.480 1.151 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C)CCCC[NH3+])cc1 ZINC000418569708 304513752 /nfs/dbraw/zinc/51/37/52/304513752.db2.gz YALUJLUYKVNWAM-JCGIZDLHSA-N 2 0 348.491 1.957 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418609681 304518517 /nfs/dbraw/zinc/51/85/17/304518517.db2.gz CQCQVPVOIDJCIY-OAHLLOKOSA-N 2 0 326.485 1.038 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000418654968 304526427 /nfs/dbraw/zinc/52/64/27/304526427.db2.gz QJXZHMUDUVAZIO-RDJZCZTQSA-N 2 0 334.464 1.221 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1[NH+](C)C ZINC000333526444 300141646 /nfs/dbraw/zinc/14/16/46/300141646.db2.gz LNAJJKASIUEYNI-SISZQAHGSA-N 2 0 334.508 1.732 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418638005 300245987 /nfs/dbraw/zinc/24/59/87/300245987.db2.gz KKVBEMVNZUANIQ-LSDHHAIUSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@H](CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000419714678 304669409 /nfs/dbraw/zinc/66/94/09/304669409.db2.gz OGROZLDHGDZQQI-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262296892 300480845 /nfs/dbraw/zinc/48/08/45/300480845.db2.gz PGPKWRXMMIVPTC-GJZGRUSLSA-N 2 0 325.497 1.615 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H]1C ZINC000417738740 300576958 /nfs/dbraw/zinc/57/69/58/300576958.db2.gz PLOZDUIVZSFPAX-HUUCEWRRSA-N 2 0 330.476 1.477 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000420010861 304725783 /nfs/dbraw/zinc/72/57/83/304725783.db2.gz FXCXHTSADQPGMT-HOTGVXAUSA-N 2 0 340.512 1.201 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000448475905 447322953 /nfs/dbraw/zinc/32/29/53/447322953.db2.gz WZOVCMAYFUAXMC-INIZCTEOSA-N 2 0 333.480 1.583 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977394 303117286 /nfs/dbraw/zinc/11/72/86/303117286.db2.gz RLDFMIKPVKKXGK-YJNKXOJESA-N 2 0 334.430 1.333 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@H](C)CO)CC1 ZINC000295808455 303270224 /nfs/dbraw/zinc/27/02/24/303270224.db2.gz TXBFGZYDAAZZBW-QZTJIDSGSA-N 2 0 347.503 1.636 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000414856603 447330610 /nfs/dbraw/zinc/33/06/10/447330610.db2.gz ONDWHNBFMMSCMX-HUUCEWRRSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H](C[NH3+])C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414871621 447336574 /nfs/dbraw/zinc/33/65/74/447336574.db2.gz DPRQLSDSHGDHEN-AWEZNQCLSA-N 2 0 341.883 1.735 20 0 EDADRP C[C@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399232763 303858018 /nfs/dbraw/zinc/85/80/18/303858018.db2.gz GYWSOYBVQCUHDV-LSDHHAIUSA-N 2 0 341.496 1.821 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000414884136 447343342 /nfs/dbraw/zinc/34/33/42/447343342.db2.gz URPISEXCJBWYFX-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422722964 304879407 /nfs/dbraw/zinc/87/94/07/304879407.db2.gz ZFFCCXRHWGVAHD-WMZOPIPTSA-N 2 0 335.492 1.874 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCn3ccnc32)CC[NH2+]CC1 ZINC000422970215 304881762 /nfs/dbraw/zinc/88/17/62/304881762.db2.gz VWFAJNRSFIUPFK-CABCVRRESA-N 2 0 334.464 1.672 20 0 EDADRP COc1cc(OC)c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1Cl ZINC000423206271 304889535 /nfs/dbraw/zinc/88/95/35/304889535.db2.gz QGHGEWHSSLVCMA-LBPRGKRZSA-N 2 0 327.856 1.913 20 0 EDADRP CC[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccccc1OCC(=O)N(C)C ZINC000423209824 304889598 /nfs/dbraw/zinc/88/95/98/304889598.db2.gz VWAUXMPWANWWRN-KRWDZBQOSA-N 2 0 348.491 1.100 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000423425956 304895563 /nfs/dbraw/zinc/89/55/63/304895563.db2.gz DTCOMWPHFFNNED-KXBFYZLASA-N 2 0 345.487 1.648 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[C@@H]([NH3+])C1)CCC2 ZINC000423480907 304897258 /nfs/dbraw/zinc/89/72/58/304897258.db2.gz WGJDQDBHCAOIIN-MRRJBJDNSA-N 2 0 337.489 1.819 20 0 EDADRP Cc1ncc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[nH]1 ZINC000424019225 304925489 /nfs/dbraw/zinc/92/54/89/304925489.db2.gz LLZSYWSOFVJVQU-UHFFFAOYSA-N 2 0 327.432 1.441 20 0 EDADRP Cn1cc(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424074731 304927712 /nfs/dbraw/zinc/92/77/12/304927712.db2.gz HTSAOIWVRQTPKP-CQSZACIVSA-N 2 0 339.443 1.785 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000414897498 447347863 /nfs/dbraw/zinc/34/78/63/447347863.db2.gz BYUREOBUVYYTPO-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000427325566 304988727 /nfs/dbraw/zinc/98/87/27/304988727.db2.gz XHZUWKQWKNLFQA-KRWDZBQOSA-N 2 0 331.460 1.777 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+](C)C[C@H](C)O)CC2)CC1 ZINC000427891656 305000584 /nfs/dbraw/zinc/00/05/84/305000584.db2.gz GFDSSJQENYKJIC-HNNXBMFYSA-N 2 0 325.497 1.410 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000430386406 305052257 /nfs/dbraw/zinc/05/22/57/305052257.db2.gz QRAKVPQNFBBEBK-MRXNPFEDSA-N 2 0 345.491 1.390 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1CCC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000430571440 305056320 /nfs/dbraw/zinc/05/63/20/305056320.db2.gz MJGLHZDQQNJFMS-SFHVURJKSA-N 2 0 348.466 1.548 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430746503 305063897 /nfs/dbraw/zinc/06/38/97/305063897.db2.gz HNQUOYJCFHTJGX-OAHLLOKOSA-N 2 0 331.460 1.523 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000430891139 305067002 /nfs/dbraw/zinc/06/70/02/305067002.db2.gz XFYZTOHJWIRXCN-FGTMMUONSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430915852 305067783 /nfs/dbraw/zinc/06/77/83/305067783.db2.gz FMWMQRACAQXOHF-QWHCGFSZSA-N 2 0 333.432 1.844 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N[C@H](C)Cc2c(F)cccc2F)CC1 ZINC000430951838 305070285 /nfs/dbraw/zinc/07/02/85/305070285.db2.gz WPENDRCKPMYPOD-CYBMUJFWSA-N 2 0 339.430 1.943 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2cccc(OC)c2OC)CC1 ZINC000430957811 305070857 /nfs/dbraw/zinc/07/08/57/305070857.db2.gz UTWRDUOFCSHHNA-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000430967600 305071621 /nfs/dbraw/zinc/07/16/21/305071621.db2.gz UETSASASKPEOOB-GOSISDBHSA-N 2 0 344.503 1.561 20 0 EDADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1OC ZINC000430969372 305071690 /nfs/dbraw/zinc/07/16/90/305071690.db2.gz ZTORUYDISYHPKM-AWEZNQCLSA-N 2 0 349.475 1.721 20 0 EDADRP Nc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000431028711 305073140 /nfs/dbraw/zinc/07/31/40/305073140.db2.gz SVYQONKWMXQEHW-UHFFFAOYSA-N 2 0 339.443 1.606 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)CC1 ZINC000431050834 305073836 /nfs/dbraw/zinc/07/38/36/305073836.db2.gz NFNPGXUADZEJEE-ZNXRZULTSA-N 2 0 348.535 1.582 20 0 EDADRP CN(CCN(C)c1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433147106 305101654 /nfs/dbraw/zinc/10/16/54/305101654.db2.gz NDXXMWZKJCJFID-UHFFFAOYSA-N 2 0 332.492 1.785 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](C[NH3+])C(C)C)cc2)CC1 ZINC000433161092 305102218 /nfs/dbraw/zinc/10/22/18/305102218.db2.gz QJDAYHHYAKMSNQ-SFHVURJKSA-N 2 0 332.492 1.994 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000433326331 305105952 /nfs/dbraw/zinc/10/59/52/305105952.db2.gz KQLICJXGQZHBNU-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433861698 305114000 /nfs/dbraw/zinc/11/40/00/305114000.db2.gz DVCBOQASIPAJRR-INIZCTEOSA-N 2 0 339.505 1.853 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)o1 ZINC000435375124 305139378 /nfs/dbraw/zinc/13/93/78/305139378.db2.gz ZUJNJCIHXYCYKP-ZDUSSCGKSA-N 2 0 331.420 1.265 20 0 EDADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443067853 305234356 /nfs/dbraw/zinc/23/43/56/305234356.db2.gz GYHXMUAUCORUIM-GDBMZVCRSA-N 2 0 332.448 1.462 20 0 EDADRP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057084 305234384 /nfs/dbraw/zinc/23/43/84/305234384.db2.gz FJYGJIGDGCIJCD-AWEZNQCLSA-N 2 0 332.448 1.388 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@H](C)C2)C1 ZINC000443639784 305240419 /nfs/dbraw/zinc/24/04/19/305240419.db2.gz LOVCLITXJREDGM-OKZBNKHCSA-N 2 0 339.524 1.827 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc21 ZINC000446366943 305263893 /nfs/dbraw/zinc/26/38/93/305263893.db2.gz PFTUSMGHMFKZDX-CALCHBBNSA-N 2 0 326.444 1.957 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000446586576 305267361 /nfs/dbraw/zinc/26/73/61/305267361.db2.gz OTKIATAGDMMGKW-UHFFFAOYSA-N 2 0 348.491 1.617 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+](CC(C)C)C2)C1 ZINC000448214900 305293913 /nfs/dbraw/zinc/29/39/13/305293913.db2.gz SJOQDGMZIRPZSE-IAGOWNOFSA-N 2 0 340.512 1.374 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000448252476 305294662 /nfs/dbraw/zinc/29/46/62/305294662.db2.gz PEXAPEURBNAHHE-OAHLLOKOSA-N 2 0 328.501 1.326 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000449119872 305307146 /nfs/dbraw/zinc/30/71/46/305307146.db2.gz AOZREYOODTZCOS-IRXDYDNUSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](CCCO)C1)c1ccccc1 ZINC000452126842 305384312 /nfs/dbraw/zinc/38/43/12/305384312.db2.gz VAINENCEHFZXKY-SJLPKXTDSA-N 2 0 333.476 1.500 20 0 EDADRP CC[C@@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+](C)Cc1ccccc1 ZINC000452382490 305395806 /nfs/dbraw/zinc/39/58/06/305395806.db2.gz MLOGIXAJLDSODN-OALUTQOASA-N 2 0 347.503 1.860 20 0 EDADRP CC[C@@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H](C)O ZINC000458102035 305500948 /nfs/dbraw/zinc/50/09/48/305500948.db2.gz IJUYNNJUPNFDNS-NVXWUHKLSA-N 2 0 349.479 1.052 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@@H+]2CC)c1 ZINC000414908149 447351841 /nfs/dbraw/zinc/35/18/41/447351841.db2.gz BBZHDPJTGONFIL-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCC2 ZINC000448854212 447353457 /nfs/dbraw/zinc/35/34/57/447353457.db2.gz UCYVLTFLWQHSRD-OAHLLOKOSA-N 2 0 333.480 1.317 20 0 EDADRP CCOC(=O)N[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CC(C)C ZINC000496721961 305677423 /nfs/dbraw/zinc/67/74/23/305677423.db2.gz QMXIPCPENXKHCK-VVLHAWIVSA-N 2 0 341.496 1.894 20 0 EDADRP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000497256732 305686603 /nfs/dbraw/zinc/68/66/03/305686603.db2.gz IJDLMAMHQOQQCI-QGZVFWFLSA-N 2 0 334.420 1.700 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000502556459 305692939 /nfs/dbraw/zinc/69/29/39/305692939.db2.gz KRCCTVNBJYYMPM-OKZBNKHCSA-N 2 0 335.492 1.573 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000514924603 305709673 /nfs/dbraw/zinc/70/96/73/305709673.db2.gz TXIBBYPWXOBELJ-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000414914094 447355245 /nfs/dbraw/zinc/35/52/45/447355245.db2.gz WVUBLXXJTCEARU-INIZCTEOSA-N 2 0 346.475 1.535 20 0 EDADRP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458421331 447358489 /nfs/dbraw/zinc/35/84/89/447358489.db2.gz HYCSBELMNBZDKP-CVEARBPZSA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc(-c2ccccc2)no1 ZINC000518482931 305761797 /nfs/dbraw/zinc/76/17/97/305761797.db2.gz RWAZVWYCCNZFDO-UHFFFAOYSA-N 2 0 346.435 1.116 20 0 EDADRP C[C@H](C1CC1)n1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000526176503 305835152 /nfs/dbraw/zinc/83/51/52/305835152.db2.gz DCOIBQBGGYKJRU-CQSZACIVSA-N 2 0 336.484 1.811 20 0 EDADRP C[C@@H]([NH2+]Cc1cnc(N(C)C)n1C)C(=O)N1c2ccccc2C[C@H]1C ZINC000419707773 447363010 /nfs/dbraw/zinc/36/30/10/447363010.db2.gz FZRBSSHOCOCMKL-ZIAGYGMSSA-N 2 0 341.459 1.942 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2sccc2C[NH+](C)C)CC1 ZINC000532034123 305971871 /nfs/dbraw/zinc/97/18/71/305971871.db2.gz OARBOULMKLMLGJ-AWEZNQCLSA-N 2 0 338.521 1.566 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc4c(c3)nnn4C)C2)CC1 ZINC000537660224 306028688 /nfs/dbraw/zinc/02/86/88/306028688.db2.gz AWRSCCISIZXNGW-QGZVFWFLSA-N 2 0 342.491 1.569 20 0 EDADRP COC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000537696106 306028832 /nfs/dbraw/zinc/02/88/32/306028832.db2.gz DWPGWDBMGNTYDD-KRWDZBQOSA-N 2 0 336.480 1.509 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC2(C)CC[NH+](C)CC2)C1 ZINC000543743458 306068631 /nfs/dbraw/zinc/06/86/31/306068631.db2.gz QUFSUGNPYLHNPH-INIZCTEOSA-N 2 0 340.512 1.374 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000550658244 306153561 /nfs/dbraw/zinc/15/35/61/306153561.db2.gz FSOVLRKLNCQSDW-QGZVFWFLSA-N 2 0 332.492 1.432 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000554452449 306191688 /nfs/dbraw/zinc/19/16/88/306191688.db2.gz QUWMCISCSZFDBB-FUHWJXTLSA-N 2 0 347.507 1.224 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000555415837 306202239 /nfs/dbraw/zinc/20/22/39/306202239.db2.gz PXLZHFPJDKWYRT-MRXNPFEDSA-N 2 0 328.526 1.455 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cn2)CC1 ZINC000555597010 306203694 /nfs/dbraw/zinc/20/36/94/306203694.db2.gz XHMALAWORVJDKE-INIZCTEOSA-N 2 0 345.491 1.370 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000557137978 306224895 /nfs/dbraw/zinc/22/48/95/306224895.db2.gz QUMPNEWOPCYUOX-ZBFHGGJFSA-N 2 0 332.448 1.575 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC([NH+]3CCCCC3)CC2)CCC[NH2+]1 ZINC000557222365 306226743 /nfs/dbraw/zinc/22/67/43/306226743.db2.gz XRRZCOYNQRKEJS-GOSISDBHSA-N 2 0 338.496 1.415 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC(C)(C)[NH2+]1 ZINC000419719156 447371357 /nfs/dbraw/zinc/37/13/57/447371357.db2.gz FZLGGMLBJGDTKH-UHFFFAOYSA-N 2 0 338.496 1.190 20 0 EDADRP COC[C@@]1(C(=O)OC)CC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000449452198 447373445 /nfs/dbraw/zinc/37/34/45/447373445.db2.gz KEEJNJPEQOBIBZ-GOSISDBHSA-N 2 0 344.415 1.587 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000414971068 447380505 /nfs/dbraw/zinc/38/05/05/447380505.db2.gz VTSOXQZYONDJQU-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](CO)(COC)C2)CC1 ZINC000449692692 447386359 /nfs/dbraw/zinc/38/63/59/447386359.db2.gz BEMWETASXGJVRD-HXUWFJFHSA-N 2 0 347.503 1.659 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000378202663 447407273 /nfs/dbraw/zinc/40/72/73/447407273.db2.gz GVJRRVKIDCCZIT-IRXDYDNUSA-N 2 0 336.524 1.523 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449933714 447414303 /nfs/dbraw/zinc/41/43/03/447414303.db2.gz DOJDNYNZIKYVKA-SFHVURJKSA-N 2 0 337.508 1.747 20 0 EDADRP CC[C@@H]1CN(C(=O)NC2CCC([NH+](C)C)CC2)CC[N@@H+]1CCOC ZINC000422236130 447417261 /nfs/dbraw/zinc/41/72/61/447417261.db2.gz HAJICYSMZJCDSB-AQFXKWCLSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000046750371 441121668 /nfs/dbraw/zinc/12/16/68/441121668.db2.gz DCJLUGRYYQIIKC-UHFFFAOYSA-N 2 0 334.464 1.982 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069936925 441093011 /nfs/dbraw/zinc/09/30/11/441093011.db2.gz YZXLQVRABFDIFQ-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccccc1Cl ZINC000103174098 441176894 /nfs/dbraw/zinc/17/68/94/441176894.db2.gz QTZFFJPXGMKJQB-UHFFFAOYSA-N 2 0 326.872 1.975 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000073034071 441287386 /nfs/dbraw/zinc/28/73/86/441287386.db2.gz GURFYCUISUEOLP-PKOBYXMFSA-N 2 0 344.503 1.576 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000107329956 441409438 /nfs/dbraw/zinc/40/94/38/441409438.db2.gz PBBSLAUEXIIOOQ-UHFFFAOYSA-N 2 0 331.464 1.788 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862143 441473704 /nfs/dbraw/zinc/47/37/04/441473704.db2.gz APYWMSAYDRVREM-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000074862140 441473806 /nfs/dbraw/zinc/47/38/06/441473806.db2.gz APYWMSAYDRVREM-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000074616580 441450401 /nfs/dbraw/zinc/45/04/01/441450401.db2.gz WPVNSUFDONMQEW-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074792459 441467306 /nfs/dbraw/zinc/46/73/06/441467306.db2.gz KQNZZSPYTYSKGF-ALOPSCKCSA-N 3 0 339.528 1.137 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000075956232 441569537 /nfs/dbraw/zinc/56/95/37/441569537.db2.gz HBBUKNMKUTZWBW-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC[C@@H]2C)C1 ZINC000076150023 441604326 /nfs/dbraw/zinc/60/43/26/441604326.db2.gz CZAPKEUITVQTKU-YESZJQIVSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)s1 ZINC000090582409 441636778 /nfs/dbraw/zinc/63/67/78/441636778.db2.gz SPKCGVHEKPPAIU-SGMGOOAPSA-N 2 0 345.534 1.653 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](CC2CC2)CC2CC2)C1 ZINC000115563199 441756955 /nfs/dbraw/zinc/75/69/55/441756955.db2.gz XFSOTCHDOVPJSV-GOSISDBHSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([NH+]3CC=CC3)CC2)n1 ZINC000136844148 441728050 /nfs/dbraw/zinc/72/80/50/441728050.db2.gz XURRCJYBOPCWBA-UHFFFAOYSA-N 2 0 332.452 1.313 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000159118978 441789300 /nfs/dbraw/zinc/78/93/00/441789300.db2.gz VEFVOMNJBYMNBO-QZTJIDSGSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000121989266 441824777 /nfs/dbraw/zinc/82/47/77/441824777.db2.gz RJYDLFRSGJAXOG-QGZVFWFLSA-N 2 0 332.492 1.261 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC000174852145 441976066 /nfs/dbraw/zinc/97/60/66/441976066.db2.gz GUMDOYGCNGMXFS-QGZVFWFLSA-N 2 0 344.503 1.852 20 0 EDADRP COCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000124483350 441929973 /nfs/dbraw/zinc/92/99/73/441929973.db2.gz BSBPZHIWCCAIEH-YJBOKZPZSA-N 2 0 333.476 1.899 20 0 EDADRP O=C(CN1CC[C@@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccco1 ZINC000150825643 441957263 /nfs/dbraw/zinc/95/72/63/441957263.db2.gz FIZGFGJRGGRDQB-AWEZNQCLSA-N 2 0 334.420 1.023 20 0 EDADRP Cc1ccc(N2CC[C@@H]([N@H+](C)CCCN3CC[NH+](C)CC3)C2=O)cc1 ZINC000174722757 441958558 /nfs/dbraw/zinc/95/85/58/441958558.db2.gz UHFGMNKMNXIRST-LJQANCHMSA-N 2 0 344.503 1.670 20 0 EDADRP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729631 441961403 /nfs/dbraw/zinc/96/14/03/441961403.db2.gz JGSXHBDPOCDHNO-QGZVFWFLSA-N 2 0 326.529 1.449 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000069636697 441997909 /nfs/dbraw/zinc/99/79/09/441997909.db2.gz FHEIFESHMOHCHT-SFHVURJKSA-N 2 0 333.476 1.835 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151294620 442038559 /nfs/dbraw/zinc/03/85/59/442038559.db2.gz QIIMCBKCWRTCBP-OCCSQVGLSA-N 2 0 345.285 1.471 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000126105937 442079375 /nfs/dbraw/zinc/07/93/75/442079375.db2.gz XIVGISJJRSUJLS-INIZCTEOSA-N 2 0 330.476 1.651 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2C[C@@H](C)[NH+](C3CC3)C2)C1 ZINC000175552723 442083990 /nfs/dbraw/zinc/08/39/90/442083990.db2.gz NTABZCCLJWQWIG-HLLBOEOZSA-N 2 0 338.496 1.268 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(-n2cnnn2)cc1 ZINC000151872280 442132011 /nfs/dbraw/zinc/13/20/11/442132011.db2.gz SNQQFYQPRXUFBJ-AWEZNQCLSA-N 2 0 330.436 1.017 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@](C)(O)C[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000126323646 442099783 /nfs/dbraw/zinc/09/97/83/442099783.db2.gz LKXIBUZGVXLWEH-MAUKXSAKSA-N 2 0 336.480 1.119 20 0 EDADRP COCCC[N@H+](C)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000127290566 442190516 /nfs/dbraw/zinc/19/05/16/442190516.db2.gz DXYGQLCRQUQOJR-FUHWJXTLSA-N 2 0 333.476 1.734 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175967598 442154739 /nfs/dbraw/zinc/15/47/39/442154739.db2.gz FUOKNWWUIRVYOR-SJORKVTESA-N 2 0 338.496 1.082 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C3CCN(CC(F)F)CC3)CC2)CC1 ZINC000128045913 442241842 /nfs/dbraw/zinc/24/18/42/442241842.db2.gz YCRRARSKVRMJFC-UHFFFAOYSA-N 2 0 344.494 1.864 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000153095974 442261655 /nfs/dbraw/zinc/26/16/55/442261655.db2.gz PNQZIGMFUVPJCO-XYJFISCASA-N 2 0 339.524 1.920 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)Cn1ccnc1 ZINC000153808956 442304917 /nfs/dbraw/zinc/30/49/17/442304917.db2.gz IYUCWCACZIROOZ-OAHLLOKOSA-N 2 0 342.447 1.096 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@H](C)[NH2+]1 ZINC000154162658 442324403 /nfs/dbraw/zinc/32/44/03/442324403.db2.gz HMLPHTHKTJXHMO-DAYGRLMNSA-N 3 0 341.459 1.010 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000129664785 442327243 /nfs/dbraw/zinc/32/72/43/442327243.db2.gz KNUIQGXXWFMYAD-QZTJIDSGSA-N 2 0 332.492 1.752 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[NH+](C)[C@@H]2CCSC2)C1 ZINC000154452520 442340356 /nfs/dbraw/zinc/34/03/56/442340356.db2.gz HXJMVHINUDNXNO-OWCLPIDISA-N 2 0 327.538 1.908 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000130384856 442345229 /nfs/dbraw/zinc/34/52/29/442345229.db2.gz MRARGKAXMKYRPG-FCEWJHQRSA-N 2 0 345.487 1.912 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1)C[NH+]1CCCC1 ZINC000171141891 442319022 /nfs/dbraw/zinc/31/90/22/442319022.db2.gz RNBJFUMKNKMSCP-KGLIPLIRSA-N 2 0 325.478 1.717 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000131327018 442370270 /nfs/dbraw/zinc/37/02/70/442370270.db2.gz ALTPTBUNYMLBOS-UHFFFAOYSA-N 2 0 349.479 1.911 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccco2)[C@H](C)C1 ZINC000177800984 442386472 /nfs/dbraw/zinc/38/64/72/442386472.db2.gz OPALXYMZZDGGGK-NVXWUHKLSA-N 2 0 337.464 1.622 20 0 EDADRP Cc1nccn1CCCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155509900 442403455 /nfs/dbraw/zinc/40/34/55/442403455.db2.gz PJOSTGOBWQVOSE-KRWDZBQOSA-N 2 0 334.464 1.731 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC(C)(C)COC ZINC000494612442 447448730 /nfs/dbraw/zinc/44/87/30/447448730.db2.gz NNZQCTAQQXREFU-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP Cc1ccc(NC(=O)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000155937421 442437866 /nfs/dbraw/zinc/43/78/66/442437866.db2.gz IFHQRJBMQPFRNN-GOOCMWNKSA-N 2 0 330.432 1.768 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000134599681 442500193 /nfs/dbraw/zinc/50/01/93/442500193.db2.gz DRQIATUZTONDOF-IBGZPJMESA-N 2 0 346.475 1.126 20 0 EDADRP CC[C@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000134613794 442501352 /nfs/dbraw/zinc/50/13/52/442501352.db2.gz XBVVWQAZXHVOSB-HXUWFJFHSA-N 2 0 345.487 1.792 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@H](C[NH3+])c3ccccc3)CC2)CC1 ZINC000178743545 442472477 /nfs/dbraw/zinc/47/24/77/442472477.db2.gz WJVGQMMSJPOIBY-LJQANCHMSA-N 3 0 344.503 1.404 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C(N)=O)C2)CC1 ZINC000157137209 442553499 /nfs/dbraw/zinc/55/34/99/442553499.db2.gz ZENQTHRJBLVUAC-KRWDZBQOSA-N 2 0 330.476 1.526 20 0 EDADRP CCOC(=O)CC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000157499629 442588857 /nfs/dbraw/zinc/58/88/57/442588857.db2.gz GCQPREMORYIEHD-UHFFFAOYSA-N 2 0 341.496 1.356 20 0 EDADRP C[NH+]1CCC(C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC1 ZINC000186575280 442565474 /nfs/dbraw/zinc/56/54/74/442565474.db2.gz RBYNIAWPRFCBOH-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192475360 442651634 /nfs/dbraw/zinc/65/16/34/442651634.db2.gz HOTIKJCLXRVUSW-CQSZACIVSA-N 2 0 348.516 1.716 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000187139743 442655281 /nfs/dbraw/zinc/65/52/81/442655281.db2.gz PUAPZJJDMBDWCO-INIZCTEOSA-N 2 0 348.491 1.047 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@H]2CCC[N@H+](C)C2)ccn1 ZINC000135641696 442621327 /nfs/dbraw/zinc/62/13/27/442621327.db2.gz JXEFFVWDWBYCAM-MRXNPFEDSA-N 2 0 349.479 1.163 20 0 EDADRP COCC[N@H+](C)CCCNc1cc(N2CCSCC2)ncn1 ZINC000192277878 442625336 /nfs/dbraw/zinc/62/53/36/442625336.db2.gz HIJKGOCNAPWCBM-UHFFFAOYSA-N 2 0 325.482 1.410 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000192850682 442692712 /nfs/dbraw/zinc/69/27/12/442692712.db2.gz WGWCBXVSVUVHSJ-KDURUIRLSA-N 2 0 340.556 1.444 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188184131 442721509 /nfs/dbraw/zinc/72/15/09/442721509.db2.gz HQYUGRMIILXDCZ-AEGPPILISA-N 2 0 335.379 1.234 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NCCC[NH+]1CCCCC1 ZINC000182243640 442749020 /nfs/dbraw/zinc/74/90/20/442749020.db2.gz SRZAORJMOSLONL-UHFFFAOYSA-N 2 0 339.528 1.141 20 0 EDADRP C[NH+](CC1(C[N@@H+](C)CC2(O)CCCC2)COC1)CC1(O)CCCC1 ZINC000182360274 442760220 /nfs/dbraw/zinc/76/02/20/442760220.db2.gz SGLKIOFVZQOCGJ-UHFFFAOYSA-N 2 0 340.508 1.477 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246372894 442776293 /nfs/dbraw/zinc/77/62/93/442776293.db2.gz GQKDKGXWXSSVRC-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000246385857 442777920 /nfs/dbraw/zinc/77/79/20/442777920.db2.gz SACVDSRUCZLPMZ-DLBZAZTESA-N 2 0 343.537 1.608 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+](C)Cc2ccccc2)C1 ZINC000265655820 442865605 /nfs/dbraw/zinc/86/56/05/442865605.db2.gz YNYJOZSGRCJKCH-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@H](CN1CCOCC1)[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182953390 442853547 /nfs/dbraw/zinc/85/35/47/442853547.db2.gz AZYSVQZCDRHCAR-GOSISDBHSA-N 2 0 339.524 1.532 20 0 EDADRP Cc1cccc(C)c1OC[C@@H](O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182959521 442854750 /nfs/dbraw/zinc/85/47/50/442854750.db2.gz BHPGFOKNXIVEIG-IBGZPJMESA-N 2 0 349.519 1.612 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COC1CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248620206 442908625 /nfs/dbraw/zinc/90/86/25/442908625.db2.gz ZZFRILUEBGAUMQ-XYJFISCASA-N 2 0 340.508 1.786 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nccn2ccnc12 ZINC000265873741 442953506 /nfs/dbraw/zinc/95/35/06/442953506.db2.gz HGOKPNRHPZQQLF-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c1 ZINC000268749790 443096575 /nfs/dbraw/zinc/09/65/75/443096575.db2.gz BWFZKCAYWLGIAI-IAOVAPTHSA-N 2 0 337.489 1.872 20 0 EDADRP COc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc(OC)c1O ZINC000298425781 318815603 /nfs/dbraw/zinc/81/56/03/318815603.db2.gz UABUQZMZBPTIDZ-UHFFFAOYSA-N 2 0 337.464 1.525 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000184989504 443112680 /nfs/dbraw/zinc/11/26/80/443112680.db2.gz JIZDMJBTROIIPL-KRWDZBQOSA-N 2 0 333.476 1.642 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000237362966 443169333 /nfs/dbraw/zinc/16/93/33/443169333.db2.gz KCZIVWLCZDYHKJ-IBGZPJMESA-N 2 0 331.460 1.431 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCCO)CC1 ZINC000411398025 319182272 /nfs/dbraw/zinc/18/22/72/319182272.db2.gz NPTYHRMOCQTPKK-UHFFFAOYSA-N 2 0 325.497 1.463 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)nc1 ZINC000411806831 319205973 /nfs/dbraw/zinc/20/59/73/319205973.db2.gz JOXXHBAXUAKYCU-UHFFFAOYSA-N 2 0 348.491 1.764 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC(C)(C)C2)cc1 ZINC000415198112 319349654 /nfs/dbraw/zinc/34/96/54/319349654.db2.gz ULHUYADQXQNKHX-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415222007 319353488 /nfs/dbraw/zinc/35/34/88/319353488.db2.gz PSIROSHJODXLFG-CZUORRHYSA-N 2 0 330.432 1.169 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415229242 319354249 /nfs/dbraw/zinc/35/42/49/319354249.db2.gz LUMPARXKDKVOKG-BBRMVZONSA-N 2 0 330.432 1.169 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1 ZINC000415904583 319383252 /nfs/dbraw/zinc/38/32/52/319383252.db2.gz GMXLRTHHISEHTF-HUUCEWRRSA-N 2 0 334.464 1.715 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000415970183 319386147 /nfs/dbraw/zinc/38/61/47/319386147.db2.gz FHDVRAKABJVVDO-HNNXBMFYSA-N 2 0 333.480 1.540 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)C[C@@H](C)O1 ZINC000246160742 443274046 /nfs/dbraw/zinc/27/40/46/443274046.db2.gz DYDLIOZAVFXTEO-YLFCFFPRSA-N 2 0 340.512 1.467 20 0 EDADRP C[C@H]([NH3+])C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000269289080 443268503 /nfs/dbraw/zinc/26/85/03/443268503.db2.gz KCPMZAWBDJNAJE-JTQLQIEISA-N 2 0 330.354 1.743 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH+](C)C ZINC000266958568 443303542 /nfs/dbraw/zinc/30/35/42/443303542.db2.gz ZFGJNZGXUNRFJH-HKUYNNGSSA-N 2 0 344.503 1.607 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H](C)C[NH3+])[NH+]2CCCCC2)cc1 ZINC000416812590 319462891 /nfs/dbraw/zinc/46/28/91/319462891.db2.gz LSVOFDANKRCAPI-WMLDXEAASA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C)CCC[NH2+]C3)nc2)CC1 ZINC000269437762 443310523 /nfs/dbraw/zinc/31/05/23/443310523.db2.gz PMHOLKIYYUBMLZ-LJQANCHMSA-N 2 0 345.491 1.940 20 0 EDADRP CCCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH2+]CC1 ZINC000416944853 319481835 /nfs/dbraw/zinc/48/18/35/319481835.db2.gz NAMDIPPMPCMRBW-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]([NH2+]CCNS(C)(=O)=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272466545 443327669 /nfs/dbraw/zinc/32/76/69/443327669.db2.gz KWZDZZSAIUICFB-GDBMZVCRSA-N 2 0 325.478 1.036 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)ccn1 ZINC000417953957 319498148 /nfs/dbraw/zinc/49/81/48/319498148.db2.gz PWYMNPZQSZZZDT-GDBMZVCRSA-N 2 0 349.479 1.339 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000418565598 319505501 /nfs/dbraw/zinc/50/55/01/319505501.db2.gz VOEBJAAOLLQAPT-XOKHGSTOSA-N 2 0 332.448 1.049 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1=COCCC1 ZINC000264453300 443296883 /nfs/dbraw/zinc/29/68/83/443296883.db2.gz DBJXZBSWHAQPKJ-UHFFFAOYSA-N 2 0 330.432 1.404 20 0 EDADRP COC[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)OC ZINC000272715183 443418669 /nfs/dbraw/zinc/41/86/69/443418669.db2.gz WGFUBDKYWNCOCA-SFHVURJKSA-N 2 0 335.492 1.968 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000267380785 443437126 /nfs/dbraw/zinc/43/71/26/443437126.db2.gz UYXOIDVNPBUAAK-KRWDZBQOSA-N 2 0 334.464 1.669 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000264912803 443474747 /nfs/dbraw/zinc/47/47/47/443474747.db2.gz XMNYNRAKQCYRBL-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP O=C(CCn1ccnc1)NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272887514 443479680 /nfs/dbraw/zinc/47/96/80/443479680.db2.gz ZQPCZJCUGUOEMP-GOSISDBHSA-N 2 0 342.443 1.546 20 0 EDADRP NC(=O)NC(=O)CCC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000278854376 443462361 /nfs/dbraw/zinc/46/23/61/443462361.db2.gz KMBKJSVTMVXUNW-UHFFFAOYSA-N 2 0 333.436 1.374 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422947099 319739778 /nfs/dbraw/zinc/73/97/78/319739778.db2.gz PWEFLDNIIONNKC-ZDUSSCGKSA-N 2 0 342.443 1.938 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039975 319748889 /nfs/dbraw/zinc/74/88/89/319748889.db2.gz GKOJGFCWOGGZFR-IAQYHMDHSA-N 2 0 343.830 1.928 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000423340559 319765545 /nfs/dbraw/zinc/76/55/45/319765545.db2.gz XKXNFOBCTWPIFA-QGZVFWFLSA-N 2 0 330.476 1.940 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000423366194 319767754 /nfs/dbraw/zinc/76/77/54/319767754.db2.gz PVPRECVFDRNFLR-MPGHIAIKSA-N 2 0 325.497 1.485 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1[NH+](C)C ZINC000271829801 443514732 /nfs/dbraw/zinc/51/47/32/443514732.db2.gz RVKLDLLZAIPXJK-MAUKXSAKSA-N 2 0 345.491 1.890 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000265140265 443547133 /nfs/dbraw/zinc/54/71/33/443547133.db2.gz VKPWNIHFZKFLSB-AEFFLSMTSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC[N@H+]2CC=CCC2)ccn1 ZINC000279556605 443605265 /nfs/dbraw/zinc/60/52/65/443605265.db2.gz AYTFQVIQMQYHNT-UHFFFAOYSA-N 2 0 347.463 1.083 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C[N@@H+]1C1CC1 ZINC000441055293 320087044 /nfs/dbraw/zinc/08/70/44/320087044.db2.gz ZDJWDODGOYKDEV-DVOMOZLQSA-N 2 0 326.510 1.348 20 0 EDADRP CCOC(=O)[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CC12COC2 ZINC000449362744 320184056 /nfs/dbraw/zinc/18/40/56/320184056.db2.gz KPWLPEUUJQPAHC-OAHLLOKOSA-N 2 0 347.440 1.945 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCCN1CCO ZINC000449395046 320188514 /nfs/dbraw/zinc/18/85/14/320188514.db2.gz PEEZNJFKLDTLJU-SFHVURJKSA-N 2 0 329.448 1.512 20 0 EDADRP COCC(C)(C)C[N@@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000449494956 320192682 /nfs/dbraw/zinc/19/26/82/320192682.db2.gz HKMJALRLSXSIIF-GOSISDBHSA-N 2 0 339.524 1.925 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccncc1OCCC[NH+](C)C)[NH+](C)C ZINC000454975215 320298024 /nfs/dbraw/zinc/29/80/24/320298024.db2.gz MEOAUSNKIHICPY-AWEZNQCLSA-N 2 0 337.468 1.161 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000458835167 320342740 /nfs/dbraw/zinc/34/27/40/320342740.db2.gz CLHWYAMSSUDIAL-UHFFFAOYSA-N 2 0 338.496 1.226 20 0 EDADRP C[C@H](C[N@H+](C)CCC(=O)N1CCN(C)CC1)C(=O)OC(C)(C)C ZINC000459820838 320350298 /nfs/dbraw/zinc/35/02/98/320350298.db2.gz FIWYMZZLSPJZOW-CQSZACIVSA-N 2 0 327.469 1.060 20 0 EDADRP O=C(Nc1cccc(F)c1)C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000516651748 320439862 /nfs/dbraw/zinc/43/98/62/320439862.db2.gz NETITIIEPIMCBK-UHFFFAOYSA-N 2 0 334.439 1.381 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000521037477 320481722 /nfs/dbraw/zinc/48/17/22/320481722.db2.gz ICYNQRNLSDCQRN-HBFSDRIKSA-N 2 0 342.487 1.091 20 0 EDADRP COCCN1CCN(C(=O)c2ccccc2OCC[NH+](C)C)CC1 ZINC000298910559 443899924 /nfs/dbraw/zinc/89/99/24/443899924.db2.gz FIVKYVDNCDPNBH-UHFFFAOYSA-N 2 0 335.448 1.031 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1nccs1 ZINC000298905484 443898859 /nfs/dbraw/zinc/89/88/59/443898859.db2.gz BZHNZCOLJMVGEE-UHFFFAOYSA-N 2 0 327.498 1.558 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)N2CCOc3cc(O)ccc3C2)CC1 ZINC000285391438 443967727 /nfs/dbraw/zinc/96/77/27/443967727.db2.gz DOSTUJRJNXQTNE-AWEZNQCLSA-N 2 0 333.432 1.139 20 0 EDADRP COCCc1ccc(OC[C@@H](O)CN2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000293590779 444063275 /nfs/dbraw/zinc/06/32/75/444063275.db2.gz OJFOUMICLABAFI-ICSRJNTNSA-N 2 0 348.487 1.643 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000557463079 321004690 /nfs/dbraw/zinc/00/46/90/321004690.db2.gz IGFPYLORWGKIAG-ZDUSSCGKSA-N 2 0 345.443 1.809 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC[NH2+]1 ZINC000562960181 321084114 /nfs/dbraw/zinc/08/41/14/321084114.db2.gz FKAHCIKVXVJQLQ-KFWWJZLASA-N 2 0 329.452 1.071 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 ZINC000564444313 321131878 /nfs/dbraw/zinc/13/18/78/321131878.db2.gz NTKIYYJCFFOLIB-MSOLQXFVSA-N 2 0 347.459 1.349 20 0 EDADRP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564698324 321142588 /nfs/dbraw/zinc/14/25/88/321142588.db2.gz ZMZPGHGTHJIPPL-GDBMZVCRSA-N 2 0 337.512 1.205 20 0 EDADRP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000565233463 321177420 /nfs/dbraw/zinc/17/74/20/321177420.db2.gz MHLDMOPUMCYRNW-FUHWJXTLSA-N 2 0 339.443 1.139 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000565648429 321194590 /nfs/dbraw/zinc/19/45/90/321194590.db2.gz PRYUTNHHWUGVBV-SJLPKXTDSA-N 2 0 331.460 1.868 20 0 EDADRP [NH3+]CC1CCC([NH2+][C@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000566088995 321214315 /nfs/dbraw/zinc/21/43/15/321214315.db2.gz YRFVHRURFAAUPS-JCYILVPMSA-N 2 0 331.460 1.773 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285755185 444097409 /nfs/dbraw/zinc/09/74/09/444097409.db2.gz YZQVSAPDLSUXMW-SFHVURJKSA-N 2 0 330.432 1.169 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116709 321217430 /nfs/dbraw/zinc/21/74/30/321217430.db2.gz KKQKUOFHYNZFOI-AEFFLSMTSA-N 2 0 334.460 1.517 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567467632 321242390 /nfs/dbraw/zinc/24/23/90/321242390.db2.gz DWORSJDHVFOQFD-FUHWJXTLSA-N 2 0 330.476 1.313 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000568231762 321283737 /nfs/dbraw/zinc/28/37/37/321283737.db2.gz JNQOWQKVBCDAQX-LMSBXDPUSA-N 2 0 330.476 1.947 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC[NH2+]C2CCCCCC2)[C@H](C[NH3+])C1 ZINC000568609414 321298927 /nfs/dbraw/zinc/29/89/27/321298927.db2.gz BLCDIMNGTDRGLY-HOTGVXAUSA-N 2 0 326.485 1.447 20 0 EDADRP CSc1cccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000568972045 321312900 /nfs/dbraw/zinc/31/29/00/321312900.db2.gz ZEQKRKCTHISCTG-UHFFFAOYSA-N 2 0 345.534 1.522 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[N@@H+]1C1CC1 ZINC000570815187 321359864 /nfs/dbraw/zinc/35/98/64/321359864.db2.gz FJQCNFFMUZCVFR-QXRTWZOPSA-N 2 0 328.460 1.666 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000571031742 321368532 /nfs/dbraw/zinc/36/85/32/321368532.db2.gz WSJJCGNOIKIIEX-DQIHPLBOSA-N 2 0 338.496 1.098 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571675036 321396840 /nfs/dbraw/zinc/39/68/40/321396840.db2.gz AJUKKMNSOFXHFK-ZIAGYGMSSA-N 2 0 341.839 1.339 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000571773327 321399762 /nfs/dbraw/zinc/39/97/62/321399762.db2.gz PGCKJSLGPOWCOM-UYAOXDASSA-N 2 0 344.503 1.944 20 0 EDADRP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCNC1=O ZINC000289417401 444136921 /nfs/dbraw/zinc/13/69/21/444136921.db2.gz MIXRSFKNTOIVCM-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000289554357 444171102 /nfs/dbraw/zinc/17/11/02/444171102.db2.gz PAWPBUPIBNZYRV-NSISKUIASA-N 2 0 331.504 1.942 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C2CCN(C=O)CC2)CC1 ZINC000278355310 444144907 /nfs/dbraw/zinc/14/49/07/444144907.db2.gz ZWVDEXSMWWWNLK-UHFFFAOYSA-N 2 0 344.503 1.535 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2cccnc12 ZINC000299729433 444125942 /nfs/dbraw/zinc/12/59/42/444125942.db2.gz VXIOCXKJKDMAAT-OAHLLOKOSA-N 2 0 344.463 1.217 20 0 EDADRP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(N3CCC[C@H]3CO)ncn2)CC1 ZINC000301799720 444191022 /nfs/dbraw/zinc/19/10/22/444191022.db2.gz VEYHULDTENHOLP-RDJZCZTQSA-N 2 0 345.491 1.891 20 0 EDADRP O=C(CC[NH2+]C1CC1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000576239882 321549920 /nfs/dbraw/zinc/54/99/20/321549920.db2.gz LOQUGSUHAXCQMC-UHFFFAOYSA-N 2 0 344.503 1.847 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000290074076 444238750 /nfs/dbraw/zinc/23/87/50/444238750.db2.gz GGVLPOKYIUFCFC-ROUUACIJSA-N 2 0 330.476 1.796 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000297585328 444304369 /nfs/dbraw/zinc/30/43/69/444304369.db2.gz YXGQRRKJRACLFF-CYBMUJFWSA-N 2 0 325.478 1.587 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297599483 444306922 /nfs/dbraw/zinc/30/69/22/444306922.db2.gz SEMFDQOUMWCQIE-UHFFFAOYSA-N 2 0 346.479 1.359 20 0 EDADRP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000305832997 444282694 /nfs/dbraw/zinc/28/26/94/444282694.db2.gz FBJJRIIFFGGYGU-MTQWCTHYSA-N 2 0 331.504 1.799 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1C[C@@H](C)O ZINC000297569642 444302798 /nfs/dbraw/zinc/30/27/98/444302798.db2.gz QLVNRMOIPBVAML-GDBMZVCRSA-N 2 0 345.447 1.321 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CCO[C@H](C)C1 ZINC000298078501 444408442 /nfs/dbraw/zinc/40/84/42/444408442.db2.gz DNSPFEKZTUDNLK-IAGOWNOFSA-N 2 0 345.487 1.876 20 0 EDADRP CC[C@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000298131652 444425584 /nfs/dbraw/zinc/42/55/84/444425584.db2.gz BMAGLGIAXYSWSU-RCCFBDPRSA-N 2 0 333.476 1.326 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000580066167 322004604 /nfs/dbraw/zinc/00/46/04/322004604.db2.gz QNWUVAHHTOTXFQ-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000580311593 322035269 /nfs/dbraw/zinc/03/52/69/322035269.db2.gz PGINDWLGOLZTTR-RDBSUJKOSA-N 2 0 343.518 1.489 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000580633040 322076051 /nfs/dbraw/zinc/07/60/51/322076051.db2.gz XNIWMBYUWNZUEB-SFHVURJKSA-N 2 0 339.528 1.091 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2ccccc2CN2CCOCC2)CCC1 ZINC000580703614 322084363 /nfs/dbraw/zinc/08/43/63/322084363.db2.gz AQEHVCCJMRUWAR-UHFFFAOYSA-N 2 0 332.448 1.199 20 0 EDADRP CN1CCN(C(=O)NCCCCCOC2CCCCC2)[C@@H](C[NH3+])C1 ZINC000580703644 322084418 /nfs/dbraw/zinc/08/44/18/322084418.db2.gz CZACZXRBGYONIZ-INIZCTEOSA-N 2 0 340.512 1.790 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000580881828 322107093 /nfs/dbraw/zinc/10/70/93/322107093.db2.gz CGNDIRJOUFJEJM-QZTJIDSGSA-N 2 0 346.475 1.410 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC[C@H](O)C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581246266 322154190 /nfs/dbraw/zinc/15/41/90/322154190.db2.gz OCBWMYQWOBOMRE-BDPHEOEISA-N 2 0 341.540 1.413 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000581597234 322196788 /nfs/dbraw/zinc/19/67/88/322196788.db2.gz PFKYHIXAVVTOQR-SFHVURJKSA-N 2 0 347.507 1.274 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000343721932 444545229 /nfs/dbraw/zinc/54/52/29/444545229.db2.gz XIVLUPZNSRBDKU-HOTGVXAUSA-N 2 0 325.522 1.901 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000340944152 444589031 /nfs/dbraw/zinc/58/90/31/444589031.db2.gz ZTRJIYGIEAIZGG-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000332998474 444626082 /nfs/dbraw/zinc/62/60/82/444626082.db2.gz HXBDUZCDIORWLB-RCCFBDPRSA-N 2 0 348.491 1.020 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)C1CC[NH+](C2CC2)CC1 ZINC000332998612 444626112 /nfs/dbraw/zinc/62/61/12/444626112.db2.gz IIXTYOAGKUYCNM-OALUTQOASA-N 2 0 349.519 1.745 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000341154229 444699901 /nfs/dbraw/zinc/69/99/01/444699901.db2.gz ADGIHPISUUPRCV-HNNXBMFYSA-N 2 0 338.500 1.396 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000341169225 444708090 /nfs/dbraw/zinc/70/80/90/444708090.db2.gz QREYMLLOIXTBLE-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)NC1CC[NH+](CC2CCCC2)CC1 ZINC000333940589 444724064 /nfs/dbraw/zinc/72/40/64/444724064.db2.gz OEQDRISWXVTOQK-QGZVFWFLSA-N 2 0 338.496 1.319 20 0 EDADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCN4CCOCC4)C[C@H]3C2)cc1 ZINC000336701116 444794534 /nfs/dbraw/zinc/79/45/34/444794534.db2.gz JUZJEHWWXMPVNL-VQTJNVASSA-N 2 0 329.488 1.773 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncc2c(F)cccn21 ZINC000625541165 450417206 /nfs/dbraw/zinc/41/72/06/450417206.db2.gz VFCRRJKITOUQSN-UHFFFAOYSA-N 2 0 349.454 1.819 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)C1 ZINC000344293754 444884569 /nfs/dbraw/zinc/88/45/69/444884569.db2.gz PECNRWXFFOXDMZ-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000342886714 444918837 /nfs/dbraw/zinc/91/88/37/444918837.db2.gz XVIULSKBOVHNOW-IRXDYDNUSA-N 2 0 337.508 1.583 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCC([N@@H+](C)C[C@H](C)O)CC2)CC1 ZINC000337320303 445032617 /nfs/dbraw/zinc/03/26/17/445032617.db2.gz AXLJKKNIHDGCDD-SFHVURJKSA-N 2 0 340.556 1.180 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCOC)CC1 ZINC000344456945 444986037 /nfs/dbraw/zinc/98/60/37/444986037.db2.gz KSNRUXHVFHWEFY-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H]1C[N@H+](C[C@@H](O)Cc2ccc(F)cc2)CCN1C1CC[NH+](C)CC1 ZINC000339061302 445014223 /nfs/dbraw/zinc/01/42/23/445014223.db2.gz HMUKWPXXGNMFPT-JXFKEZNVSA-N 2 0 349.494 1.829 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCN2CCOC(C)(C)C2)CC1 ZINC000337481301 445099631 /nfs/dbraw/zinc/09/96/31/445099631.db2.gz VZUTUKYBRHWMMR-UHFFFAOYSA-N 2 0 340.556 1.445 20 0 EDADRP C[C@@H](C[NH2+]Cc1conc1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000339234718 445104106 /nfs/dbraw/zinc/10/41/06/445104106.db2.gz VBLWXPBSQZHOGU-INIZCTEOSA-N 2 0 328.460 1.991 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000343174480 445115044 /nfs/dbraw/zinc/11/50/44/445115044.db2.gz MNSAGNCMSBIMQD-PMPSAXMXSA-N 2 0 340.512 1.070 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC([NH+](C)C)C3)CC2)c1 ZINC000342121345 445183642 /nfs/dbraw/zinc/18/36/42/445183642.db2.gz DBARDHRWCPKSHX-UHFFFAOYSA-N 2 0 330.476 1.280 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](CC(C)(C)O)CC1 ZINC000330804619 445148191 /nfs/dbraw/zinc/14/81/91/445148191.db2.gz IGYKGWZORYRDKB-UHFFFAOYSA-N 2 0 329.448 1.464 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000339618198 445153476 /nfs/dbraw/zinc/15/34/76/445153476.db2.gz TUKBYMPUTDRBPZ-HYVNUMGLSA-N 2 0 346.475 1.004 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CCN2C[C@H]3CC[C@@H](C2)O3)C1 ZINC000343313876 445194738 /nfs/dbraw/zinc/19/47/38/445194738.db2.gz KVRQGVWPWOKZMS-OKZBNKHCSA-N 2 0 325.497 1.282 20 0 EDADRP C[NH2+]C[C@H]1CCCN(Cc2cc3c(cc2OCCOC)OCO3)C1 ZINC000346999355 445229249 /nfs/dbraw/zinc/22/92/49/445229249.db2.gz GAVWFGQCUXNIQZ-CQSZACIVSA-N 2 0 336.432 1.872 20 0 EDADRP C[C@@H]([NH2+]CCNc1cnccn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348099171 445268008 /nfs/dbraw/zinc/26/80/08/445268008.db2.gz WFOPQRAZIZQBPG-SJLPKXTDSA-N 2 0 325.460 2.389 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000347721320 445246037 /nfs/dbraw/zinc/24/60/37/445246037.db2.gz SRGUWYUFVXCGCK-JFIYKMOQSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NC2CC[NH+](CC)CC2)C1 ZINC000351736806 445299136 /nfs/dbraw/zinc/29/91/36/445299136.db2.gz GQVFFWYOBQNYNF-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)CC1 ZINC000362482542 445405263 /nfs/dbraw/zinc/40/52/63/445405263.db2.gz GXPRXIQIIUAQIY-QGZVFWFLSA-N 2 0 333.480 1.256 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCOCC[NH3+])CC2)CC1 ZINC000357089948 445420569 /nfs/dbraw/zinc/42/05/69/445420569.db2.gz QELZMTCPWZGCMW-UHFFFAOYSA-N 3 0 326.529 1.090 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351927247 445380040 /nfs/dbraw/zinc/38/00/40/445380040.db2.gz NBKBUDQLVFVBJI-XYVMCAHJSA-N 2 0 331.460 1.078 20 0 EDADRP c1nc(N2CCOCC2)sc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357053717 445397299 /nfs/dbraw/zinc/39/72/99/445397299.db2.gz PRPAULYPLPRSDF-OAHLLOKOSA-N 2 0 336.505 1.801 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+]([C@@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000362552852 445436054 /nfs/dbraw/zinc/43/60/54/445436054.db2.gz VNKYBUWYYZKGCX-MRXNPFEDSA-N 2 0 337.464 1.099 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)C(=O)C1CC[NH+](C)CC1 ZINC000348930726 445445051 /nfs/dbraw/zinc/44/50/51/445445051.db2.gz LNWDPHYMWJTYEJ-WMZOPIPTSA-N 2 0 347.507 1.603 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](CC2CC2)CC1 ZINC000348934592 445446883 /nfs/dbraw/zinc/44/68/83/445446883.db2.gz QWJDVIPRRYXSJS-UHFFFAOYSA-N 2 0 327.472 1.989 20 0 EDADRP CC[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000357170467 445465462 /nfs/dbraw/zinc/46/54/62/445465462.db2.gz FKDDZHPHYZTLQY-ROUUACIJSA-N 2 0 331.460 1.318 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000362723993 445519065 /nfs/dbraw/zinc/51/90/65/445519065.db2.gz OWBOXOIMTMZULA-QAPCUYQASA-N 2 0 333.476 1.483 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360026212 445534051 /nfs/dbraw/zinc/53/40/51/445534051.db2.gz XUJWQPCSGQTMGI-GJZGRUSLSA-N 2 0 336.480 1.561 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000360124601 445580396 /nfs/dbraw/zinc/58/03/96/445580396.db2.gz LUMUXYHDPXSRCB-JKSUJKDBSA-N 2 0 328.501 1.107 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC1 ZINC000360175075 445612963 /nfs/dbraw/zinc/61/29/63/445612963.db2.gz HRVALXHOMXBMEO-IBGZPJMESA-N 2 0 344.503 1.577 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000353497754 445628583 /nfs/dbraw/zinc/62/85/83/445628583.db2.gz STBIGFLWNCPWKC-GOSISDBHSA-N 2 0 335.492 1.432 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H](C)C[NH+](C)C)CC1 ZINC000358520903 445630221 /nfs/dbraw/zinc/63/02/21/445630221.db2.gz IEPTZUOJFNLKFN-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@H](C)C1=CC[N@H+](C)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000357915028 445592597 /nfs/dbraw/zinc/59/25/97/445592597.db2.gz YGSQFPQXMPVFGX-HPFXQQBRSA-N 2 0 337.508 1.887 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360243151 445652262 /nfs/dbraw/zinc/65/22/62/445652262.db2.gz UDKZPHWNHOMHRT-GOEBONIOSA-N 2 0 328.526 1.597 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N[C@H](c1nccn1C)c1cccc(F)c1 ZINC000349726069 445656638 /nfs/dbraw/zinc/65/66/38/445656638.db2.gz XYSBFVYFAAXUDR-DOMZBBRYSA-N 2 0 333.411 1.898 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000358610686 445674511 /nfs/dbraw/zinc/67/45/11/445674511.db2.gz VSLXQAYOWILEQS-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP C[NH+](C)CC1(C(=O)NCCCC[NH+]2CCOCC2)CCCCC1 ZINC000358625774 445682966 /nfs/dbraw/zinc/68/29/66/445682966.db2.gz HDZDMFIOWKVHSQ-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP C[NH+](C)CC1(C(=O)NCC2([NH+](C)C)CCOCC2)CCCCC1 ZINC000358633556 445686739 /nfs/dbraw/zinc/68/67/39/445686739.db2.gz QOTQSFYUHXSCQF-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353793279 445758656 /nfs/dbraw/zinc/75/86/56/445758656.db2.gz JICWDOIPTZZENM-KSZLIROESA-N 2 0 336.524 1.249 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C(C)C ZINC000363473671 445818718 /nfs/dbraw/zinc/81/87/18/445818718.db2.gz DWBITWXVGVGYHE-IRXDYDNUSA-N 2 0 340.512 1.346 20 0 EDADRP O=C(NCCCC[NH+]1CCCC1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363476976 445820322 /nfs/dbraw/zinc/82/03/22/445820322.db2.gz OFFNSUJXAAFNQY-IRXDYDNUSA-N 2 0 338.496 1.103 20 0 EDADRP C[C@@H](CCc1ccccc1)[N@@H+]1CCO[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000363492976 445829117 /nfs/dbraw/zinc/82/91/17/445829117.db2.gz KDLDTYACOPKJCE-ICSRJNTNSA-N 2 0 331.504 1.956 20 0 EDADRP CC(C)C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)C(=O)NCC[NH+](C)C ZINC000356443075 445792613 /nfs/dbraw/zinc/79/26/13/445792613.db2.gz VNYPNERBVDAMDN-CQSZACIVSA-N 2 0 332.452 1.092 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286300 445806845 /nfs/dbraw/zinc/80/68/45/445806845.db2.gz LPDLANKTHPSPSP-JKSUJKDBSA-N 2 0 325.497 1.580 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356470775 445809095 /nfs/dbraw/zinc/80/90/95/445809095.db2.gz GMVLQDYYWBESSA-CQSZACIVSA-N 2 0 336.480 1.805 20 0 EDADRP Cc1cc(NC(=O)c2ccnc(C[NH3+])c2)n(C2CC[NH+](C)CC2)n1 ZINC000361621351 445851332 /nfs/dbraw/zinc/85/13/32/445851332.db2.gz LOTSMZCQROZKPH-UHFFFAOYSA-N 2 0 328.420 1.564 20 0 EDADRP CS[C@@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H]1[NH+]1CCCC1 ZINC000361626664 445854795 /nfs/dbraw/zinc/85/47/95/445854795.db2.gz XZMJZWXUYCISBZ-QLFBSQMISA-N 2 0 343.562 1.462 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000359013586 445888140 /nfs/dbraw/zinc/88/81/40/445888140.db2.gz BKGHXROTFNQDOI-HHXXYDBFSA-N 2 0 346.475 1.015 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000582170944 325790777 /nfs/dbraw/zinc/79/07/77/325790777.db2.gz QQJNHMMXLRYLJT-SFHVURJKSA-N 2 0 347.507 1.274 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1CCOC1 ZINC000365910974 445902686 /nfs/dbraw/zinc/90/26/86/445902686.db2.gz BVDUFYMAOOAJJU-KRWDZBQOSA-N 2 0 337.508 1.678 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C(C)C ZINC000361763810 445925440 /nfs/dbraw/zinc/92/54/40/445925440.db2.gz GOFFSIWAYIHBNM-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP CCC(CC)[C@H](C(=O)N(C)C1CC[NH+](C)CC1)N1CCOCC1 ZINC000359127071 445966380 /nfs/dbraw/zinc/96/63/80/445966380.db2.gz AFVFRVOXJCYJMB-QGZVFWFLSA-N 2 0 325.497 1.676 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372999675 445967610 /nfs/dbraw/zinc/96/76/10/445967610.db2.gz NPEQMFHYPYJNNK-VJFUWPCTSA-N 2 0 335.492 1.763 20 0 EDADRP CC(C)[C@H]1CN([C@H](C)C(=O)N2CCN(c3ccccn3)CC2)CCO1 ZINC000351102761 445991400 /nfs/dbraw/zinc/99/14/00/445991400.db2.gz QHPSLFRGCIGHBK-IAGOWNOFSA-N 2 0 346.475 1.476 20 0 EDADRP COc1cc(F)c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC ZINC000361888242 446041897 /nfs/dbraw/zinc/04/18/97/446041897.db2.gz ITGWSMCDKZYSGZ-LBPRGKRZSA-N 2 0 326.412 1.950 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CN(C2CC2)CCO1)[N@@H+]1CCC[C@@H](C)C1 ZINC000366082231 446001638 /nfs/dbraw/zinc/00/16/38/446001638.db2.gz CJQWXIPZUNODSY-VYDXJSESSA-N 2 0 338.496 1.269 20 0 EDADRP CC[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1F ZINC000583317250 326048031 /nfs/dbraw/zinc/04/80/31/326048031.db2.gz AXUBIYACOMLMPM-JKSUJKDBSA-N 2 0 339.455 1.181 20 0 EDADRP O=C(CC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)N1CCOCC1 ZINC000369295276 446054367 /nfs/dbraw/zinc/05/43/67/446054367.db2.gz VHTZADSGZVRVHE-KDURUIRLSA-N 2 0 343.471 1.299 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583742709 326129705 /nfs/dbraw/zinc/12/97/05/326129705.db2.gz UYAQQYLVWNFZMR-NXHRZFHOSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866869 326155418 /nfs/dbraw/zinc/15/54/18/326155418.db2.gz KHDXZGNKSPJYJR-ZJPYXAASSA-N 2 0 341.540 1.557 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC12CCSCC2 ZINC000583928496 326166892 /nfs/dbraw/zinc/16/68/92/326166892.db2.gz RFKILOGGIOCCOQ-HNNXBMFYSA-N 2 0 342.553 1.655 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccccc1 ZINC000584292258 326237221 /nfs/dbraw/zinc/23/72/21/326237221.db2.gz ZPCVBRXGFNWRTP-ZMSDIMECSA-N 2 0 348.491 1.428 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000351455154 446069954 /nfs/dbraw/zinc/06/99/54/446069954.db2.gz CNNKIRWXVHFKLO-MRXNPFEDSA-N 2 0 337.508 1.556 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000351485963 446086063 /nfs/dbraw/zinc/08/60/63/446086063.db2.gz VEQYYRASIXCABZ-NJAFHUGGSA-N 2 0 331.460 1.169 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)C2=O)c1 ZINC000351498396 446103367 /nfs/dbraw/zinc/10/33/67/446103367.db2.gz VPUWSUJRBQMOOB-XKDXWZMYSA-N 2 0 345.443 1.478 20 0 EDADRP C[N@H+](C[C@H]1CC2(CCC2)C(=O)O1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365275232 446119584 /nfs/dbraw/zinc/11/95/84/446119584.db2.gz NWLRPSGFVPJMQK-IAGOWNOFSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCC[C@H](CNC(=O)c2ccccc2)C1)C1CC1 ZINC000351521346 446123609 /nfs/dbraw/zinc/12/36/09/446123609.db2.gz UHILYLGJUWYYHP-APWZRJJASA-N 2 0 345.487 1.584 20 0 EDADRP CN1CC[NH+]([C@@H]2CCCCN(C(=O)C3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000373322993 446164860 /nfs/dbraw/zinc/16/48/60/446164860.db2.gz KNGXNYIUWVQXDU-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347499 446166018 /nfs/dbraw/zinc/16/60/18/446166018.db2.gz OQINQACZFGKOOW-KSZLIROESA-N 2 0 331.460 1.174 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359319186 446147429 /nfs/dbraw/zinc/14/74/29/446147429.db2.gz PWNMZEKNYLJJLS-HNNXBMFYSA-N 2 0 338.496 1.223 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000370267284 446204247 /nfs/dbraw/zinc/20/42/47/446204247.db2.gz RMHIWFHRINRMED-GOSISDBHSA-N 2 0 334.464 1.035 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359453508 446231985 /nfs/dbraw/zinc/23/19/85/446231985.db2.gz AWSOIUJYZPAEJB-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@H]2CC[C@H](C)C2)CC1 ZINC000362159607 446242289 /nfs/dbraw/zinc/24/22/89/446242289.db2.gz VYZBEFFOFUYQJQ-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1CN(C2CC2)CCO1 ZINC000366553081 446259498 /nfs/dbraw/zinc/25/94/98/446259498.db2.gz FOXXADNQOGHRAL-KRWDZBQOSA-N 2 0 338.496 1.461 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C[C@H]1CCSC1 ZINC000366749005 446333264 /nfs/dbraw/zinc/33/32/64/446333264.db2.gz YMTKMJWWSMXOAC-OAHLLOKOSA-N 2 0 337.537 1.713 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417508670 446357585 /nfs/dbraw/zinc/35/75/85/446357585.db2.gz TZKIGBVSNCIRGW-GBESFXJTSA-N 2 0 342.487 1.412 20 0 EDADRP COCCSCCC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000365842930 446366810 /nfs/dbraw/zinc/36/68/10/446366810.db2.gz CMGAXFIJVVMXFZ-QGZVFWFLSA-N 2 0 329.554 1.858 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000376208840 446380800 /nfs/dbraw/zinc/38/08/00/446380800.db2.gz HWUIBVUSGMFXLT-SJLPKXTDSA-N 2 0 335.423 1.650 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000365872002 446381458 /nfs/dbraw/zinc/38/14/58/446381458.db2.gz SWXFAGVWPFBBPP-HUUCEWRRSA-N 2 0 326.485 1.221 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918878 446385556 /nfs/dbraw/zinc/38/55/56/446385556.db2.gz PIQWXPADWGCHMT-SJLPKXTDSA-N 2 0 340.512 1.565 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000366883805 446396822 /nfs/dbraw/zinc/39/68/22/446396822.db2.gz AIMDEWYVZNORBG-UHFFFAOYSA-N 2 0 347.507 1.927 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951415 446397369 /nfs/dbraw/zinc/39/73/69/446397369.db2.gz NEEAFIJWVFRGFY-DOMZBBRYSA-N 2 0 342.846 1.991 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000418058127 446427702 /nfs/dbraw/zinc/42/77/02/446427702.db2.gz OSGLCVTVUKYTAD-QAPCUYQASA-N 2 0 332.492 1.917 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)NC2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000370781046 446438057 /nfs/dbraw/zinc/43/80/57/446438057.db2.gz OWKHKAHOSVSPHF-IRXDYDNUSA-N 2 0 330.476 1.722 20 0 EDADRP C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982873 446406680 /nfs/dbraw/zinc/40/66/80/446406680.db2.gz AVQYVABFDUUENJ-WZGPROSRSA-N 2 0 342.487 1.758 20 0 EDADRP C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417990237 446409178 /nfs/dbraw/zinc/40/91/78/446409178.db2.gz KDDFBYUIYCIVJM-OUCADQQQSA-N 2 0 332.439 1.921 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000418004011 446411979 /nfs/dbraw/zinc/41/19/79/446411979.db2.gz ZIATVGRIEKRCRX-YJBOKZPZSA-N 2 0 346.475 1.052 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411174991 446419174 /nfs/dbraw/zinc/41/91/74/446419174.db2.gz BXODQJPDZSYMBX-QGZVFWFLSA-N 2 0 346.475 1.596 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000411174989 446419222 /nfs/dbraw/zinc/41/92/22/446419222.db2.gz BXODQJPDZSYMBX-KRWDZBQOSA-N 2 0 346.475 1.596 20 0 EDADRP CC(C)SCC[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000374860843 446422344 /nfs/dbraw/zinc/42/23/44/446422344.db2.gz GSALTYVZDAUBSR-KRWDZBQOSA-N 2 0 329.554 1.855 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000418204983 446457800 /nfs/dbraw/zinc/45/78/00/446457800.db2.gz YHFLQRIELJKSSG-UAGQMJEPSA-N 2 0 340.512 1.645 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H](C)C[NH3+])[NH+](C)C)cc1 ZINC000418210154 446459192 /nfs/dbraw/zinc/45/91/92/446459192.db2.gz SIFHTIBVRMHKKU-YOEHRIQHSA-N 2 0 336.480 1.971 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000420297471 446459674 /nfs/dbraw/zinc/45/96/74/446459674.db2.gz FYJKWSWUJKPUIL-FGTMMUONSA-N 2 0 336.524 1.108 20 0 EDADRP CCOC(=O)CCCCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420301378 446464656 /nfs/dbraw/zinc/46/46/56/446464656.db2.gz VQWAZGOLZLYLKB-MRXNPFEDSA-N 2 0 339.480 1.254 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268410 446470479 /nfs/dbraw/zinc/47/04/79/446470479.db2.gz DOBDKWIUPOVBGP-XKQJLSEDSA-N 2 0 337.489 1.819 20 0 EDADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+]CC1C[NH2+]C1 ZINC000423299478 446478228 /nfs/dbraw/zinc/47/82/28/446478228.db2.gz BVCJBNOVADHXQW-JTQLQIEISA-N 2 0 326.238 1.975 20 0 EDADRP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCN3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423205860 446453653 /nfs/dbraw/zinc/45/36/53/446453653.db2.gz PVBJFJIWCVQKIV-PCCBWWKXSA-N 3 0 342.531 1.924 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000423319191 446486968 /nfs/dbraw/zinc/48/69/68/446486968.db2.gz DCKRREWGDUQRSV-BZUAXINKSA-N 2 0 347.507 1.880 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418311247 446494254 /nfs/dbraw/zinc/49/42/54/446494254.db2.gz QFPYRJFWYUPWOW-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@H](C)[NH3+] ZINC000423364565 446501379 /nfs/dbraw/zinc/50/13/79/446501379.db2.gz AVXLZKWFOORKKQ-BLLLJJGKSA-N 2 0 348.447 1.714 20 0 EDADRP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420333697 446503338 /nfs/dbraw/zinc/50/33/38/446503338.db2.gz FPBDVDKQFWSHOF-LSDHHAIUSA-N 2 0 347.459 1.964 20 0 EDADRP C[C@@H](C(=O)N1CC(=O)Nc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420337963 446507481 /nfs/dbraw/zinc/50/74/81/446507481.db2.gz NDKADGWJXSVUSR-SOUVJXGZSA-N 2 0 342.443 1.292 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H](C)[NH3+] ZINC000423381185 446510669 /nfs/dbraw/zinc/51/06/69/446510669.db2.gz OEOSJVXXZOZFQT-DNVCBOLYSA-N 2 0 347.503 1.879 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)C[C@H]1C ZINC000423384390 446512582 /nfs/dbraw/zinc/51/25/82/446512582.db2.gz QADDUPDUYVCBOE-OWCLPIDISA-N 2 0 340.512 1.149 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388065 446514044 /nfs/dbraw/zinc/51/40/44/446514044.db2.gz MOVBIZVYHHVFBS-HUUCEWRRSA-N 3 0 325.497 1.676 20 0 EDADRP COCC1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CC[NH2+]CC1 ZINC000375070344 446560576 /nfs/dbraw/zinc/56/05/76/446560576.db2.gz GMSFMVBYSSKKDL-UHFFFAOYSA-N 2 0 345.487 1.440 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418483298 446560914 /nfs/dbraw/zinc/56/09/14/446560914.db2.gz ZAPGLGOSIOKVRT-MLHJIOFPSA-N 2 0 346.475 1.048 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418484775 446561223 /nfs/dbraw/zinc/56/12/23/446561223.db2.gz DQQBJQPAIUZQRK-MRXNPFEDSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423404723 446520052 /nfs/dbraw/zinc/52/00/52/446520052.db2.gz ZEKAERUFBOFSFX-OWCLPIDISA-N 2 0 347.507 1.880 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(COC)CC[NH2+]C2)C1 ZINC000423410688 446521703 /nfs/dbraw/zinc/52/17/03/446521703.db2.gz SJOPZPFFQLUZIP-MAUKXSAKSA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@]2(C)CCCC[C@@H]2C(=O)OC)CC1 ZINC000411406521 446522544 /nfs/dbraw/zinc/52/25/44/446522544.db2.gz JHEPNMHELLQLEB-CRAIPNDOSA-N 2 0 339.480 1.298 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423537531 446566754 /nfs/dbraw/zinc/56/67/54/446566754.db2.gz KIKMYBFKZJNGQM-GFCCVEGCSA-N 2 0 340.265 1.899 20 0 EDADRP CCN(C(=O)[C@@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350944 446530535 /nfs/dbraw/zinc/53/05/35/446530535.db2.gz VHPYJVNBCDEQKL-SJLPKXTDSA-N 2 0 330.476 1.408 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H](C)O1 ZINC000418403575 446530880 /nfs/dbraw/zinc/53/08/80/446530880.db2.gz BTDQOHQUUNWYPI-QKPAOTATSA-N 2 0 326.485 1.255 20 0 EDADRP CC(C)NC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433139235 446535324 /nfs/dbraw/zinc/53/53/24/446535324.db2.gz ADJHEHNYCAJERH-UHFFFAOYSA-N 2 0 346.475 1.967 20 0 EDADRP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[C@@H](C)[NH3+] ZINC000423442462 446539662 /nfs/dbraw/zinc/53/96/62/446539662.db2.gz WMCFWOAVEOBPQP-CVEARBPZSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418431521 446540685 /nfs/dbraw/zinc/54/06/85/446540685.db2.gz QZQAPRPYIHHJAK-CRAIPNDOSA-N 2 0 348.491 1.421 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418612571 446616420 /nfs/dbraw/zinc/61/64/20/446616420.db2.gz ICJGBYBNABMKBB-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000433405363 446570892 /nfs/dbraw/zinc/57/08/92/446570892.db2.gz FIUSBRZOHDXKOC-HOTGVXAUSA-N 2 0 342.447 1.235 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000418513537 446575406 /nfs/dbraw/zinc/57/54/06/446575406.db2.gz GFGAHMRUMQBBHJ-KRWDZBQOSA-N 2 0 348.491 1.987 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000433463740 446577156 /nfs/dbraw/zinc/57/71/56/446577156.db2.gz AHQWKBFNCCTFGF-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC(C[NH+](C)C)CC2)CCCO1 ZINC000433467596 446579451 /nfs/dbraw/zinc/57/94/51/446579451.db2.gz QZMLBOKNGIZWFS-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C[C@@H]1C[NH3+] ZINC000420412041 446584675 /nfs/dbraw/zinc/58/46/75/446584675.db2.gz RZFHIORUYLXNBF-ZBFHGGJFSA-N 2 0 332.448 1.319 20 0 EDADRP COCCN1CC[C@H]([NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000423580516 446587880 /nfs/dbraw/zinc/58/78/80/446587880.db2.gz XVHQTAAZRWNIPX-IBGZPJMESA-N 2 0 346.519 1.290 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000418546927 446588492 /nfs/dbraw/zinc/58/84/92/446588492.db2.gz IEMPEGQRQZOHMS-FGTMMUONSA-N 2 0 346.475 1.063 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(F)cc1)C1CC1 ZINC000371064884 446607146 /nfs/dbraw/zinc/60/71/46/446607146.db2.gz NBUBQYGILSRRAR-SJORKVTESA-N 2 0 334.439 1.964 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000418592795 446607304 /nfs/dbraw/zinc/60/73/04/446607304.db2.gz QGKXTWKONPQURF-MRXNPFEDSA-N 2 0 347.507 1.728 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418696025 446651209 /nfs/dbraw/zinc/65/12/09/446651209.db2.gz YWHFJTACJRUPQL-INIZCTEOSA-N 2 0 340.512 1.648 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)COC1CC[NH2+]CC1 ZINC000423747584 446676965 /nfs/dbraw/zinc/67/69/65/446676965.db2.gz SQAVURCXWVCXHT-UHFFFAOYSA-N 2 0 333.476 1.865 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000423747081 446676998 /nfs/dbraw/zinc/67/69/98/446676998.db2.gz OWQRPGJEQQWFPU-HNNXBMFYSA-N 2 0 327.856 1.594 20 0 EDADRP CC1(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC000418736657 446660799 /nfs/dbraw/zinc/66/07/99/446660799.db2.gz VATZRYIEYPPSAN-DOTOQJQBSA-N 2 0 348.466 1.960 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CC[N@@H+](C2CCC2)C1 ZINC000418750657 446669886 /nfs/dbraw/zinc/66/98/86/446669886.db2.gz OWNDEOHNVKCPCC-TZMCWYRMSA-N 2 0 330.423 1.499 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418754753 446673618 /nfs/dbraw/zinc/67/36/18/446673618.db2.gz FAZIQDXUZSPCRT-BBWFWOEESA-N 2 0 339.528 1.090 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000423652109 446626214 /nfs/dbraw/zinc/62/62/14/446626214.db2.gz SDERBTCZVDLCET-INIZCTEOSA-N 2 0 333.432 1.608 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000418756636 446675631 /nfs/dbraw/zinc/67/56/31/446675631.db2.gz YLNIXCCXEIVMND-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP O[C@H](COC1CCOCC1)CN1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371205246 446689013 /nfs/dbraw/zinc/68/90/13/446689013.db2.gz PVCSZHNJQOIDHL-ROUUACIJSA-N 2 0 340.508 1.741 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776434 446712475 /nfs/dbraw/zinc/71/24/75/446712475.db2.gz HWPMMDQQVMFTLU-QQXWRGTKSA-N 2 0 336.480 1.116 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833630 446721227 /nfs/dbraw/zinc/72/12/27/446721227.db2.gz TXWIBUVWWIHMOZ-KSZLIROESA-N 2 0 345.443 1.078 20 0 EDADRP COCC[NH2+]CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371271772 446730177 /nfs/dbraw/zinc/73/01/77/446730177.db2.gz VPNYPJPQLXBSFU-RBUKOAKNSA-N 2 0 345.487 1.878 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000418840956 446744852 /nfs/dbraw/zinc/74/48/52/446744852.db2.gz FTFWTYXEZGKCII-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP OC(C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000375372828 446756085 /nfs/dbraw/zinc/75/60/85/446756085.db2.gz GOBJHLRTRGWFTN-YRXWBPOGSA-N 2 0 338.492 1.634 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423929834 446780941 /nfs/dbraw/zinc/78/09/41/446780941.db2.gz JHKISHFPOLJVQZ-ZMSDIMECSA-N 2 0 349.523 1.943 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000368363928 446813411 /nfs/dbraw/zinc/81/34/11/446813411.db2.gz WMRKKMSFGGUULM-MQVJKMGUSA-N 2 0 329.444 1.544 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCCCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000424016100 446824084 /nfs/dbraw/zinc/82/40/84/446824084.db2.gz BIYSVVMYENDTMP-KRWDZBQOSA-N 2 0 331.460 1.665 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000420817808 446841618 /nfs/dbraw/zinc/84/16/18/446841618.db2.gz ZULBJACMJWKIST-KRWDZBQOSA-N 2 0 336.455 1.993 20 0 EDADRP COC(=O)[C@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000412102749 446860999 /nfs/dbraw/zinc/86/09/99/446860999.db2.gz KIXZJLGCOQKQAO-GOSISDBHSA-N 2 0 337.464 1.005 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412143531 446877975 /nfs/dbraw/zinc/87/79/75/446877975.db2.gz ZTKAKPYLOTTZTJ-INIZCTEOSA-N 2 0 343.537 1.288 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482397 446879907 /nfs/dbraw/zinc/87/99/07/446879907.db2.gz UBLMLWOKINJBSV-RCCFBDPRSA-N 2 0 328.460 1.654 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](Cc3cnn(C)c3)C2)CC1 ZINC000368519297 446916573 /nfs/dbraw/zinc/91/65/73/446916573.db2.gz PUWKQHMMWLJGID-SFHVURJKSA-N 2 0 333.524 1.701 20 0 EDADRP CC[N@H+](CC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000442718916 446942544 /nfs/dbraw/zinc/94/25/44/446942544.db2.gz MEFKMKLOEVQLAL-LJQANCHMSA-N 2 0 331.460 1.224 20 0 EDADRP COC(=O)c1cc(C[NH2+]C2CCN(c3ccccn3)CC2)cn1C ZINC000368578357 446954895 /nfs/dbraw/zinc/95/48/95/446954895.db2.gz MIXCPQAZCCZOOX-UHFFFAOYSA-N 2 0 328.416 1.965 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000419143015 446955721 /nfs/dbraw/zinc/95/57/21/446955721.db2.gz YMGILTMKSLZJBT-DZGCQCFKSA-N 2 0 340.512 1.055 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419171780 446987768 /nfs/dbraw/zinc/98/77/68/446987768.db2.gz PPOUCBIWUSOKOQ-HNNXBMFYSA-N 2 0 340.512 1.391 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368696893 447047178 /nfs/dbraw/zinc/04/71/78/447047178.db2.gz OMPPVZUEBPBXBU-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000413133589 447025922 /nfs/dbraw/zinc/02/59/22/447025922.db2.gz PSVQHNOHNFYCGB-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP C[C@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)C(C)(C)C[NH+](C)C ZINC000372493768 447087359 /nfs/dbraw/zinc/08/73/59/447087359.db2.gz ABOWQLITUZCMCF-HNNXBMFYSA-N 2 0 342.528 1.451 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444180959 447089969 /nfs/dbraw/zinc/08/99/69/447089969.db2.gz HQFCBBGJTBYGGZ-ICSRJNTNSA-N 2 0 343.471 1.777 20 0 EDADRP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@@H]3CC4(CC4)C(=O)O3)CCCN2C)cn1 ZINC000375939823 447162911 /nfs/dbraw/zinc/16/29/11/447162911.db2.gz BSXQWHJGVLZWOC-BHYGNILZSA-N 2 0 346.475 1.831 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419433969 447173026 /nfs/dbraw/zinc/17/30/26/447173026.db2.gz ZVBDVFKAUMKIMN-ZBFHGGJFSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000455661551 447200476 /nfs/dbraw/zinc/20/04/76/447200476.db2.gz DYMUWLNAZLGOQK-UHFFFAOYSA-N 2 0 348.495 1.927 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000377560158 447205660 /nfs/dbraw/zinc/20/56/60/447205660.db2.gz DPTQCCDLSMLKPH-CRAIPNDOSA-N 2 0 330.476 1.593 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000377560728 447207454 /nfs/dbraw/zinc/20/74/54/447207454.db2.gz FMDZTBWEWQLKTC-LSCFUAHRSA-N 2 0 337.414 1.915 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000419597232 447287827 /nfs/dbraw/zinc/28/78/27/447287827.db2.gz ZUARKGCQBDYQKG-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]([NH3+])C(C)C)c1 ZINC000415469115 447460788 /nfs/dbraw/zinc/46/07/88/447460788.db2.gz WWDSHUAJKNZBRQ-INIZCTEOSA-N 2 0 334.464 1.566 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000415472983 447464206 /nfs/dbraw/zinc/46/42/06/447464206.db2.gz ALYJWYNYMZYYGN-ZBFHGGJFSA-N 2 0 330.432 1.040 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000458840064 447488383 /nfs/dbraw/zinc/48/83/83/447488383.db2.gz JIYNJPUIFWHBJE-QGZVFWFLSA-N 2 0 338.496 1.369 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCCc1cn(C)cn1)c1ccco1 ZINC000458770285 447473787 /nfs/dbraw/zinc/47/37/87/447473787.db2.gz NSLYWLULDAMDPZ-HIFRSBDPSA-N 2 0 333.436 1.984 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000495081628 447475293 /nfs/dbraw/zinc/47/52/93/447475293.db2.gz HNROWLRRKIATMH-KRWDZBQOSA-N 2 0 333.476 1.816 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000400924831 447574927 /nfs/dbraw/zinc/57/49/27/447574927.db2.gz HAXWVQYSOIPAIV-PCCBWWKXSA-N 3 0 342.531 1.782 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000419999243 447536561 /nfs/dbraw/zinc/53/65/61/447536561.db2.gz OEJMFEXXSITWMN-SJLPKXTDSA-N 2 0 325.497 1.602 20 0 EDADRP COCCOC[C@H](O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450640589 447547171 /nfs/dbraw/zinc/54/71/71/447547171.db2.gz MVNCCQRNQFHQSO-GOSISDBHSA-N 2 0 337.464 1.254 20 0 EDADRP C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)cc1 ZINC000427161345 447555671 /nfs/dbraw/zinc/55/56/71/447555671.db2.gz GKISYNUTSCGKKE-AEFFLSMTSA-N 2 0 347.459 1.553 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000427163326 447555921 /nfs/dbraw/zinc/55/59/21/447555921.db2.gz QXQYHIWKPXLTIV-UHFFFAOYSA-N 2 0 339.524 1.850 20 0 EDADRP COC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000398105983 447556056 /nfs/dbraw/zinc/55/60/56/447556056.db2.gz BNODITHIRSXEAS-SJLPKXTDSA-N 2 0 345.487 1.782 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495911159 447637495 /nfs/dbraw/zinc/63/74/95/447637495.db2.gz KUPZJGCJEZCFHJ-SZVBFZGTSA-N 3 0 348.491 1.277 20 0 EDADRP O=C1O[C@]2(CN1C[N@@H+]1CCCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000495915411 447640842 /nfs/dbraw/zinc/64/08/42/447640842.db2.gz XQQOKOIVWRDNRB-IBGZPJMESA-N 2 0 349.475 1.753 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000420120172 447615288 /nfs/dbraw/zinc/61/52/88/447615288.db2.gz KDUPTCLUJRUSDW-OAHLLOKOSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000416826977 447692358 /nfs/dbraw/zinc/69/23/58/447692358.db2.gz CIIABPCQKLLZLQ-NXHRZFHOSA-N 2 0 332.492 1.786 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000416849214 447695713 /nfs/dbraw/zinc/69/57/13/447695713.db2.gz XKLJBTSJBSFQJQ-CQSZACIVSA-N 2 0 340.493 1.420 20 0 EDADRP C[C@H](CNC(=O)N1CCC2(CC[NH2+]2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422590309 447658640 /nfs/dbraw/zinc/65/86/40/447658640.db2.gz AQBLBAKRKRGQNM-MRXNPFEDSA-N 2 0 342.487 1.971 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000457943900 447680426 /nfs/dbraw/zinc/68/04/26/447680426.db2.gz SWRNYYUAWKRUGB-TWMKSMIVSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496396037 447763397 /nfs/dbraw/zinc/76/33/97/447763397.db2.gz HFPCKVKSASJIEO-JCGIZDLHSA-N 2 0 347.459 1.739 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2CCCN2CCOC)CC[NH2+]CC1 ZINC000422701048 447720326 /nfs/dbraw/zinc/72/03/26/447720326.db2.gz BBNVAMOZOOQYCG-HZPDHXFCSA-N 2 0 341.496 1.008 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000416950215 447723247 /nfs/dbraw/zinc/72/32/47/447723247.db2.gz HVZRIMZJFSFIFH-JKSUJKDBSA-N 2 0 326.485 1.175 20 0 EDADRP CC[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000417022652 447730811 /nfs/dbraw/zinc/73/08/11/447730811.db2.gz VLJCPAPXXSALQF-CRAIPNDOSA-N 2 0 330.476 1.732 20 0 EDADRP COc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N2CCOCC2)cc1 ZINC000422750785 447738689 /nfs/dbraw/zinc/73/86/89/447738689.db2.gz BODNDSZFHHBRIS-WMWLNJEOSA-N 2 0 345.487 1.941 20 0 EDADRP Cc1cccc(N2CCC([NH2+][C@H](C3CC3)[C@@H]3CNCCO3)CC2)n1 ZINC000422757826 447741607 /nfs/dbraw/zinc/74/16/07/447741607.db2.gz JBGVLIANWHCEML-PKOBYXMFSA-N 3 0 330.476 1.715 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]1C[N@H+](CC2CC[NH2+]CC2)CCCO1 ZINC000496384860 447761902 /nfs/dbraw/zinc/76/19/02/447761902.db2.gz RGNPPKKVUPSGHP-OAHLLOKOSA-N 2 0 327.469 1.602 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(=O)NC)cc2)CC[NH2+]CC1 ZINC000422825903 447762035 /nfs/dbraw/zinc/76/20/35/447762035.db2.gz KPYSHBJVCJWIHA-CQSZACIVSA-N 2 0 347.459 1.457 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C(C)(C)CN1CCCC1)c1ccccc1 ZINC000452091086 447814270 /nfs/dbraw/zinc/81/42/70/447814270.db2.gz AWZGGLILQJJZKG-SFHVURJKSA-N 2 0 346.519 1.870 20 0 EDADRP CCCCN(CC)C(=O)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000459839996 447767573 /nfs/dbraw/zinc/76/75/73/447767573.db2.gz WGHXQXFEDONAHQ-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422845383 447767792 /nfs/dbraw/zinc/76/77/92/447767792.db2.gz NWPAHJBDFLKYHE-HKUYNNGSSA-N 2 0 344.503 1.832 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430577516 447780797 /nfs/dbraw/zinc/78/07/97/447780797.db2.gz NWZXWYUAGRTDDR-MRXNPFEDSA-N 2 0 333.476 1.863 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000431017313 447788838 /nfs/dbraw/zinc/78/88/38/447788838.db2.gz PMOCUDONWABJSF-UHFFFAOYSA-N 2 0 332.492 1.425 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000462005789 447798087 /nfs/dbraw/zinc/79/80/87/447798087.db2.gz VEHQUXKYWXRCGW-OWCLPIDISA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCCOCC[NH+](C)C)C1 ZINC000471637483 447806242 /nfs/dbraw/zinc/80/62/42/447806242.db2.gz WQUUJEDEJSWFQT-FUHWJXTLSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C ZINC000496701973 447851779 /nfs/dbraw/zinc/85/17/79/447851779.db2.gz WHDCHIYBFABAST-SUYBPPKGSA-N 2 0 327.469 1.334 20 0 EDADRP C[C@H](O)[C@H]1CCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)ncn2)C1 ZINC000575849798 447911097 /nfs/dbraw/zinc/91/10/97/447911097.db2.gz KZVSFKAHCQVQGQ-MGLUKCQKSA-N 2 0 331.464 1.721 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)CCOC2C[NH2+]C2)CC1 ZINC000569720199 447876969 /nfs/dbraw/zinc/87/69/69/447876969.db2.gz CEUUGOYISGZRHP-AWEZNQCLSA-N 2 0 332.448 1.102 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccc2nccn2c1 ZINC000569911691 447913906 /nfs/dbraw/zinc/91/39/06/447913906.db2.gz KVBXPLFRLWHTBQ-CABCVRRESA-N 2 0 341.415 1.358 20 0 EDADRP COC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc(C)o1 ZINC000530601629 447924792 /nfs/dbraw/zinc/92/47/92/447924792.db2.gz YSJRBKYPHTUPET-OAHLLOKOSA-N 2 0 340.468 1.410 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570201807 447964035 /nfs/dbraw/zinc/96/40/35/447964035.db2.gz ITKXQNVNPBYQPJ-RBSFLKMASA-N 2 0 336.432 1.617 20 0 EDADRP CO[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000576111436 447976068 /nfs/dbraw/zinc/97/60/68/447976068.db2.gz ZRAIEQZZIZNOAZ-SZMVWBNQSA-N 2 0 342.443 1.485 20 0 EDADRP C[N@H+](CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C1CCCCC1 ZINC000570330007 447987806 /nfs/dbraw/zinc/98/78/06/447987806.db2.gz RHTSUEUMCSSWPR-HNNXBMFYSA-N 2 0 348.495 1.415 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000496889794 448006665 /nfs/dbraw/zinc/00/66/65/448006665.db2.gz KBCPEYBFOLYQRK-DYVFJYSZSA-N 2 0 327.469 1.336 20 0 EDADRP Cc1nc2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2nc1C ZINC000531118670 448021515 /nfs/dbraw/zinc/02/15/15/448021515.db2.gz BFZCZGIKKWLYTI-UHFFFAOYSA-N 2 0 343.475 1.812 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2ccc(OC(F)F)cc2)CC1 ZINC000576339424 448030743 /nfs/dbraw/zinc/03/07/43/448030743.db2.gz OFGAQYSUBJBYSO-OAHLLOKOSA-N 2 0 343.418 1.028 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)CC1 ZINC000576403737 448045872 /nfs/dbraw/zinc/04/58/72/448045872.db2.gz XUSHWEHAZDRYSU-SJORKVTESA-N 3 0 336.524 1.297 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000570676691 448048163 /nfs/dbraw/zinc/04/81/63/448048163.db2.gz UXHBZORTFDRXDI-HQSKLWIPSA-N 2 0 332.444 1.844 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000576271987 448015066 /nfs/dbraw/zinc/01/50/66/448015066.db2.gz NOLGMZUCEKLJPN-HXUWFJFHSA-N 2 0 349.494 1.877 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000571395065 448145965 /nfs/dbraw/zinc/14/59/65/448145965.db2.gz SPWWESVYWUIZGI-XHSDSOJGSA-N 2 0 343.479 1.590 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCCO1 ZINC000557033057 448177370 /nfs/dbraw/zinc/17/73/70/448177370.db2.gz VJPZXCJXKQOWNS-HNNXBMFYSA-N 2 0 346.475 1.955 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCN(C(C)(C)C)C2=O)CC[NH2+]CC1 ZINC000514673169 448184253 /nfs/dbraw/zinc/18/42/53/448184253.db2.gz XOLCUNHISBPTGL-KGLIPLIRSA-N 2 0 339.480 1.297 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@H]1CCc2cncn2C1)N1CCOCC1 ZINC000571685292 448190623 /nfs/dbraw/zinc/19/06/23/448190623.db2.gz FRYNPYUFFRHTRP-DOTOQJQBSA-N 2 0 334.464 1.309 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000577026134 448195485 /nfs/dbraw/zinc/19/54/85/448195485.db2.gz JCHJVORRMFWLHP-PASDCYSWSA-N 2 0 333.476 1.138 20 0 EDADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000514824830 448208845 /nfs/dbraw/zinc/20/88/45/448208845.db2.gz BYHZDCXPNCOGRP-VCBZYWHSSA-N 2 0 335.467 1.647 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897543 448232240 /nfs/dbraw/zinc/23/22/40/448232240.db2.gz PMUNCNXIECCYDM-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[NH2+]C[C@H]1C)[NH+]1CCCC1 ZINC000514849270 448213005 /nfs/dbraw/zinc/21/30/05/448213005.db2.gz RAZFNIPUVMHOSV-NVXWUHKLSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)CC[NH2+]C3CC3)CC2)C[C@H](C)O1 ZINC000514871799 448219563 /nfs/dbraw/zinc/21/95/63/448219563.db2.gz DIDBIRJUPYEEDJ-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000514904786 448220875 /nfs/dbraw/zinc/22/08/75/448220875.db2.gz MVJWYOFTHRRIQT-QZTJIDSGSA-N 2 0 334.508 1.240 20 0 EDADRP CN1CCN(C(=O)NCC2(Sc3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000571984086 448252987 /nfs/dbraw/zinc/25/29/87/448252987.db2.gz GQXQYGKYKQVONM-CQSZACIVSA-N 2 0 334.489 1.596 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC(CC[NH3+])CC2)C[C@@H](C)O1 ZINC000515855905 448360210 /nfs/dbraw/zinc/36/02/10/448360210.db2.gz LAAFHJANMUDAMM-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000516188000 448393758 /nfs/dbraw/zinc/39/37/58/448393758.db2.gz QFAAVVRWDDKGBG-INIZCTEOSA-N 2 0 328.501 1.373 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000583012873 448402734 /nfs/dbraw/zinc/40/27/34/448402734.db2.gz KNUHEHJEGJNHDE-UHFFFAOYSA-N 2 0 345.491 1.480 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[C@H]3CCC[NH2+]CC3)C2)CC1 ZINC000572599713 448417771 /nfs/dbraw/zinc/41/77/71/448417771.db2.gz KUGCSVFOMCQHED-ROUUACIJSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(Cc3nccn3-c3ccccc3)C2)nn1 ZINC000516551235 448436388 /nfs/dbraw/zinc/43/63/88/448436388.db2.gz YYIWNRFIYKSBAQ-KRWDZBQOSA-N 2 0 337.431 1.760 20 0 EDADRP CC(C)[C@@H](C[NH2+]CCC(=O)Nc1cccnc1)N1CC[NH+](C)CC1 ZINC000584346296 448492005 /nfs/dbraw/zinc/49/20/05/448492005.db2.gz AZUQQDLENUVFEW-QGZVFWFLSA-N 2 0 333.480 1.272 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000578240055 448496708 /nfs/dbraw/zinc/49/67/08/448496708.db2.gz FWXNLMGAMCDWSJ-UFYCRDLUSA-N 2 0 331.504 1.868 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566668354 448531917 /nfs/dbraw/zinc/53/19/17/448531917.db2.gz JOTZFGPIKLNACV-SCTDSRPQSA-N 2 0 342.487 1.905 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2nc[nH]c2C1)c1ccsc1 ZINC000573414162 448617977 /nfs/dbraw/zinc/61/79/77/448617977.db2.gz BLZFCBCGVYGMLW-DOMZBBRYSA-N 2 0 333.461 1.931 20 0 EDADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(CC[NH3+])CC1 ZINC000573258195 448582257 /nfs/dbraw/zinc/58/22/57/448582257.db2.gz URRZZCOSAAKSMB-LBPRGKRZSA-N 2 0 336.411 1.923 20 0 EDADRP O=C(Nc1ccc2c(c1)OCC[NH2+]C2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000528708653 448638466 /nfs/dbraw/zinc/63/84/66/448638466.db2.gz SRKITMYLRYRAGK-INIZCTEOSA-N 2 0 348.447 1.137 20 0 EDADRP C[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000578864493 448655585 /nfs/dbraw/zinc/65/55/85/448655585.db2.gz IFOUCSGMBHGJER-GDBMZVCRSA-N 2 0 332.448 1.062 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(=O)N(C)C ZINC000518217485 448657630 /nfs/dbraw/zinc/65/76/30/448657630.db2.gz SLWDTPRUAMNSDR-CABCVRRESA-N 2 0 335.448 1.522 20 0 EDADRP C[C@H](NC(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000518527986 448688444 /nfs/dbraw/zinc/68/84/44/448688444.db2.gz NBZFCGSVDWZLJT-SCTDSRPQSA-N 2 0 345.487 1.782 20 0 EDADRP CO[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000518715055 448701818 /nfs/dbraw/zinc/70/18/18/448701818.db2.gz OFBRDGOMSJXHEH-CABCVRRESA-N 2 0 326.485 1.079 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000573936077 448753191 /nfs/dbraw/zinc/75/31/91/448753191.db2.gz BIEHVBISTNDNDG-UHFFFAOYSA-N 2 0 332.448 1.119 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529301787 448813610 /nfs/dbraw/zinc/81/36/10/448813610.db2.gz VWOLHEHYYWUFOU-QGZVFWFLSA-N 2 0 346.475 1.711 20 0 EDADRP O=C1NC(=O)[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000574049190 448779881 /nfs/dbraw/zinc/77/98/81/448779881.db2.gz HHNRCNCUJRYXLE-CALCHBBNSA-N 2 0 327.428 1.377 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000545300788 448787010 /nfs/dbraw/zinc/78/70/10/448787010.db2.gz ZUUDRQJSMXNUIG-CABCVRRESA-N 2 0 329.444 1.993 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000529309867 448817553 /nfs/dbraw/zinc/81/75/53/448817553.db2.gz YQZWDGPIFDWZAD-YOEHRIQHSA-N 2 0 338.496 1.269 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000568191473 448831988 /nfs/dbraw/zinc/83/19/88/448831988.db2.gz JALRMPYWCIURQH-CVEARBPZSA-N 2 0 341.521 1.041 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)nc2)CC1 ZINC000519776352 448842158 /nfs/dbraw/zinc/84/21/58/448842158.db2.gz RTVRZOKKLFRWKF-KRWDZBQOSA-N 2 0 331.464 1.678 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000519825436 448854039 /nfs/dbraw/zinc/85/40/39/448854039.db2.gz JLTALZLYRFMSCT-LSDHHAIUSA-N 2 0 346.475 1.505 20 0 EDADRP COc1cc(F)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000574406283 448866908 /nfs/dbraw/zinc/86/69/08/448866908.db2.gz RQJGEMDHLCIATR-UHFFFAOYSA-N 2 0 339.455 1.959 20 0 EDADRP C[C@H](NC(=O)c1c[nH+]ccc1N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568399562 448868811 /nfs/dbraw/zinc/86/88/11/448868811.db2.gz SSPWJIHVXZHBKN-KBXCAEBGSA-N 2 0 340.427 1.513 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000568486958 448877575 /nfs/dbraw/zinc/87/75/75/448877575.db2.gz OAKFFWLDLPOAEZ-KGLIPLIRSA-N 2 0 331.416 1.029 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000579707568 448858566 /nfs/dbraw/zinc/85/85/66/448858566.db2.gz FOWKWXKOVJUAAX-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP Cc1cc(C(=O)N2CCN(C)C[C@H]2C[NH3+])c(C)cc1Br ZINC000579708558 448859112 /nfs/dbraw/zinc/85/91/12/448859112.db2.gz PUZUUUJNOXKYPS-GFCCVEGCSA-N 2 0 340.265 1.781 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592558629 448900138 /nfs/dbraw/zinc/90/01/38/448900138.db2.gz JRWYSCNBVBHRBQ-ZFWWWQNUSA-N 2 0 333.480 1.522 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)CC1([NH3+])CCC1 ZINC000592558641 448900546 /nfs/dbraw/zinc/90/05/46/448900546.db2.gz LHOLIVVTSFXLQJ-OAHLLOKOSA-N 2 0 339.480 1.524 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592559403 448901715 /nfs/dbraw/zinc/90/17/15/448901715.db2.gz SWVFUQOATKISEG-SLTAFYQDSA-N 2 0 333.480 1.569 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[NH2+]C[C@H]3c3ccccc3)c21 ZINC000592566199 448903267 /nfs/dbraw/zinc/90/32/67/448903267.db2.gz DQVZFGKTJFVIDI-RDJZCZTQSA-N 2 0 339.443 1.506 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCC1 ZINC000574569590 448903933 /nfs/dbraw/zinc/90/39/33/448903933.db2.gz UYIUMKWASNQKRD-UHFFFAOYSA-N 2 0 344.459 1.010 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579948576 448918872 /nfs/dbraw/zinc/91/88/72/448918872.db2.gz MZSSTCGYHZCZCY-RBUKOAKNSA-N 2 0 344.503 1.705 20 0 EDADRP CN(C)C(=O)CCN1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000521039761 448949176 /nfs/dbraw/zinc/94/91/76/448949176.db2.gz OLSWUHQFAWJSLJ-QGZVFWFLSA-N 2 0 346.475 1.089 20 0 EDADRP COc1ccc(F)cc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000521742695 449011461 /nfs/dbraw/zinc/01/14/61/449011461.db2.gz QJKHZAUMMPGLJE-UHFFFAOYSA-N 2 0 340.443 1.469 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2ccc(Cl)cc2F)C1 ZINC000569259242 448990894 /nfs/dbraw/zinc/99/08/94/448990894.db2.gz WWICZUYHRRZDFN-VXGBXAGGSA-N 2 0 349.859 1.617 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1cccs1 ZINC000592955027 449075570 /nfs/dbraw/zinc/07/55/70/449075570.db2.gz IBDNAZYMYGKEIO-JSGCOSHPSA-N 2 0 347.488 1.813 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592955922 449076041 /nfs/dbraw/zinc/07/60/41/449076041.db2.gz PTYYDQAKIKNSKQ-CABCVRRESA-N 2 0 335.496 1.960 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3CC[NH+](CC4CC4)CC3)c21 ZINC000592957834 449080523 /nfs/dbraw/zinc/08/05/23/449080523.db2.gz TUGSYGVEFWPZTO-AWEZNQCLSA-N 2 0 331.464 1.323 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961575 449084837 /nfs/dbraw/zinc/08/48/37/449084837.db2.gz OYKSVEKDYSNUNU-ARFHVFGLSA-N 2 0 345.491 1.808 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592960241 449084852 /nfs/dbraw/zinc/08/48/52/449084852.db2.gz VYKXKJUPARRQAE-HNNXBMFYSA-N 2 0 333.480 1.571 20 0 EDADRP O=C(CC[N@@H+]1CCc2cccc(C(F)(F)F)c2C1)N1CC[NH2+]CC1 ZINC000530233970 449089583 /nfs/dbraw/zinc/08/95/83/449089583.db2.gz KHXIMZSVQHHCJK-UHFFFAOYSA-N 2 0 341.377 1.885 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530237515 449090858 /nfs/dbraw/zinc/09/08/58/449090858.db2.gz DSEPXOYWEIZURI-VQIMIIECSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CCN(CC2=Cc3ccccc3OC2)CC1 ZINC000530244459 449091717 /nfs/dbraw/zinc/09/17/17/449091717.db2.gz YFKDOVYHNWIYQC-UHFFFAOYSA-N 2 0 342.443 1.105 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242727 449092198 /nfs/dbraw/zinc/09/21/98/449092198.db2.gz UTUWLRFKPHXPGN-LJQANCHMSA-N 2 0 345.487 1.702 20 0 EDADRP C[C@H](O)c1ncc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530248313 449093496 /nfs/dbraw/zinc/09/34/96/449093496.db2.gz IQJXCOOXALNDJD-JSGCOSHPSA-N 2 0 325.478 1.787 20 0 EDADRP COC(=O)[C@H]1C[C@@H]([NH+](C)CC(C)C[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595849406 449205678 /nfs/dbraw/zinc/20/56/78/449205678.db2.gz KNFZJCPFMBCCQU-RUPPMWDTSA-N 2 0 340.464 1.389 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]CCCN2CC[NH+](CC)CC2)n1 ZINC000600136348 449209178 /nfs/dbraw/zinc/20/91/78/449209178.db2.gz VMXPLTBVUVYNPS-UHFFFAOYSA-N 2 0 334.464 1.376 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)[nH]c1C ZINC000590643214 449232203 /nfs/dbraw/zinc/23/22/03/449232203.db2.gz KAPZERUXBHWRQY-UHFFFAOYSA-N 2 0 336.480 1.615 20 0 EDADRP COC(=O)[C@H](C)C[N@@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000595893085 449237472 /nfs/dbraw/zinc/23/74/72/449237472.db2.gz OVUMDEMKDUVJRY-WBVHZDCISA-N 2 0 332.444 1.819 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+]Cc2cn[nH]c2)cc1 ZINC000605593893 449404990 /nfs/dbraw/zinc/40/49/90/449404990.db2.gz LGXAGGCKJMPBAL-UHFFFAOYSA-N 2 0 327.432 1.525 20 0 EDADRP C[NH+](C)CCCCC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000617112881 449463589 /nfs/dbraw/zinc/46/35/89/449463589.db2.gz NMDXBKRMMRJJER-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000600711165 449509947 /nfs/dbraw/zinc/50/99/47/449509947.db2.gz RMRZCYDDOIUVOR-IJEWVQPXSA-N 2 0 339.480 1.297 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000607226771 449587341 /nfs/dbraw/zinc/58/73/41/449587341.db2.gz BLWKJEZDRXBMKV-UHFFFAOYSA-N 3 0 349.523 1.383 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481629 449625800 /nfs/dbraw/zinc/62/58/00/449625800.db2.gz HCYQPGHFYKDFBQ-RTBURBONSA-N 2 0 339.524 1.528 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000600974405 449626987 /nfs/dbraw/zinc/62/69/87/449626987.db2.gz IIEUUBIJYNXKSV-INIZCTEOSA-N 2 0 349.475 1.736 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602508017 449639328 /nfs/dbraw/zinc/63/93/28/449639328.db2.gz YSWJBGVPFCQNNG-JKSUJKDBSA-N 2 0 337.464 1.300 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000594947192 449816173 /nfs/dbraw/zinc/81/61/73/449816173.db2.gz XEPYDURVGRJDNP-CGTJXYLNSA-N 2 0 346.471 1.801 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617765907 449829426 /nfs/dbraw/zinc/82/94/26/449829426.db2.gz VOWQDMAIAMFFJC-QGZVFWFLSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601275030 449791972 /nfs/dbraw/zinc/79/19/72/449791972.db2.gz DPTJNWXMXNJRJI-HNNXBMFYSA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](C)C2)c1 ZINC000617886964 449902234 /nfs/dbraw/zinc/90/22/34/449902234.db2.gz DPBWXKIOSTXZRV-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970990 449964379 /nfs/dbraw/zinc/96/43/79/449964379.db2.gz NKJAPBSZJNLCQS-KRWDZBQOSA-N 2 0 346.475 1.568 20 0 EDADRP CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1)[NH+](C)C ZINC000615231900 450013475 /nfs/dbraw/zinc/01/34/75/450013475.db2.gz VRNQDIGKBQUANS-PMPSAXMXSA-N 2 0 340.512 1.020 20 0 EDADRP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000599657714 450133041 /nfs/dbraw/zinc/13/30/41/450133041.db2.gz LJAOUNQVXNQMAN-AWEZNQCLSA-N 2 0 346.475 1.947 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000623071353 450390849 /nfs/dbraw/zinc/39/08/49/450390849.db2.gz GIVLKUVWOLNCPC-INIZCTEOSA-N 2 0 346.475 1.967 20 0 EDADRP O=C([C@@H]1CCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000620480603 450500061 /nfs/dbraw/zinc/50/00/61/450500061.db2.gz HAQXMTVJQLAUBZ-ROUUACIJSA-N 2 0 335.492 1.451 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623372528 450507678 /nfs/dbraw/zinc/50/76/78/450507678.db2.gz YNWARXLWUWAPEC-INIZCTEOSA-N 2 0 339.505 1.698 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1(C)C ZINC000623395277 450513370 /nfs/dbraw/zinc/51/33/70/450513370.db2.gz FJAQFCOXVAZESE-HNAYVOBHSA-N 2 0 344.459 1.704 20 0 EDADRP Cc1cc(NCCNC(=O)N[C@@H]2CCC[N@H+](C)C2)nc(C(C)C)n1 ZINC000623716993 450570998 /nfs/dbraw/zinc/57/09/98/450570998.db2.gz FVQSVRXRVINYFM-CQSZACIVSA-N 2 0 334.468 1.714 20 0 EDADRP CN1C2(CCC2)COC[C@]1(CO)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623617068 450552342 /nfs/dbraw/zinc/55/23/42/450552342.db2.gz WGXADQFPHBYBSP-CRAIPNDOSA-N 2 0 325.497 1.065 20 0 EDADRP C[N@H+](CC(=O)NCC1CC[NH+](CC2CC2)CC1)[C@@H]1CCSC1 ZINC000620932489 450563571 /nfs/dbraw/zinc/56/35/71/450563571.db2.gz AGAAKEPKORAHAE-MRXNPFEDSA-N 2 0 325.522 1.662 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000627292639 450628695 /nfs/dbraw/zinc/62/86/95/450628695.db2.gz ZRKFNKBZFKYDFU-USXIJHARSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633011869 450609362 /nfs/dbraw/zinc/60/93/62/450609362.db2.gz DOBWDIXWYFWBJE-INIZCTEOSA-N 2 0 346.475 1.459 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627310817 450639409 /nfs/dbraw/zinc/63/94/09/450639409.db2.gz DAMJIUQZYYBGFX-RHSMWYFYSA-N 2 0 346.475 1.011 20 0 EDADRP C[C@H]([NH2+]C1(CNc2nc(N)[nH+]c(N)n2)CCCC1)c1ccccc1 ZINC000623958323 450651139 /nfs/dbraw/zinc/65/11/39/450651139.db2.gz JFTQDWOYQCZORU-LBPRGKRZSA-N 2 0 327.436 1.194 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627338880 450657855 /nfs/dbraw/zinc/65/78/55/450657855.db2.gz SJORSXHTUFXXTQ-WMLDXEAASA-N 2 0 346.475 1.010 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1CO ZINC000621372344 450705877 /nfs/dbraw/zinc/70/58/77/450705877.db2.gz UEVZGKXULOTLGU-KBAYOESNSA-N 2 0 333.476 1.356 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000631726410 450736244 /nfs/dbraw/zinc/73/62/44/450736244.db2.gz CRKVXRLKZASYSK-UHFFFAOYSA-N 2 0 339.505 1.306 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@H](C)C1 ZINC000624266689 450771242 /nfs/dbraw/zinc/77/12/42/450771242.db2.gz SWJFNVXKEFDOGE-QRQLOZEOSA-N 2 0 332.492 1.602 20 0 EDADRP c1ncn(-c2ccccc2C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)n1 ZINC000629672820 450777242 /nfs/dbraw/zinc/77/72/42/450777242.db2.gz SYXNNWHGUPMMNN-SFHVURJKSA-N 2 0 341.459 1.858 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841158 450810392 /nfs/dbraw/zinc/81/03/92/450810392.db2.gz YXRHVCDQQCJFPF-IXDOHACOSA-N 2 0 330.476 1.250 20 0 EDADRP Cc1nccnc1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830575 450801953 /nfs/dbraw/zinc/80/19/53/450801953.db2.gz WDAMMKUGNGJCJK-OAHLLOKOSA-N 2 0 341.463 1.297 20 0 EDADRP Cc1nccnc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830574 450802158 /nfs/dbraw/zinc/80/21/58/450802158.db2.gz WDAMMKUGNGJCJK-HNNXBMFYSA-N 2 0 341.463 1.297 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888177 450850837 /nfs/dbraw/zinc/85/08/37/450850837.db2.gz WTEUOLCSHFSDGF-WMLDXEAASA-N 2 0 327.428 1.747 20 0 EDADRP NC(=O)c1cc(F)ccc1N1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621778413 450864054 /nfs/dbraw/zinc/86/40/54/450864054.db2.gz OZHUXYGBIQKDTF-CQSZACIVSA-N 2 0 334.439 1.436 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000631943080 450900284 /nfs/dbraw/zinc/90/02/84/450900284.db2.gz MMLYSKJBHIVXBF-JKSUJKDBSA-N 2 0 329.510 1.266 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000635469560 450969473 /nfs/dbraw/zinc/96/94/73/450969473.db2.gz ARISPVHNCRHFTO-IRXDYDNUSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)c1ccccc1 ZINC000626920103 451003819 /nfs/dbraw/zinc/00/38/19/451003819.db2.gz SPWHWVHACMQKDY-QRQLOZEOSA-N 2 0 330.476 1.930 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N(C)CCOCC[NH3+])[NH+](C)C)cc1 ZINC000626921495 451004848 /nfs/dbraw/zinc/00/48/48/451004848.db2.gz BOMJHUDRWWXVAM-QGZVFWFLSA-N 2 0 336.480 1.468 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1CC)[NH+]1CCOCC1 ZINC000626929013 451011566 /nfs/dbraw/zinc/01/15/66/451011566.db2.gz GPAYDPBPUQIAAQ-BBWFWOEESA-N 2 0 340.512 1.563 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000626935679 451017416 /nfs/dbraw/zinc/01/74/16/451017416.db2.gz MKTAYAUTWISWFA-UHFFFAOYSA-N 2 0 326.485 1.306 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C[NH2+]1 ZINC000626939765 451021534 /nfs/dbraw/zinc/02/15/34/451021534.db2.gz NFZKFNXBQQJBNZ-LSDHHAIUSA-N 2 0 340.537 1.788 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000632083975 451023678 /nfs/dbraw/zinc/02/36/78/451023678.db2.gz APJYQEUHMNCYPQ-UHFFFAOYSA-N 2 0 333.523 1.393 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000626946151 451025810 /nfs/dbraw/zinc/02/58/10/451025810.db2.gz MDBYLFQBHPIFEK-DOTOQJQBSA-N 2 0 334.464 1.357 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000626948769 451027183 /nfs/dbraw/zinc/02/71/83/451027183.db2.gz ZHFNRUSYRGHJGG-HRCADAONSA-N 2 0 328.501 1.230 20 0 EDADRP C[N@H+](CCNC(=O)NC1(C[NH3+])CCOCC1)Cc1ccc(F)cc1 ZINC000626993999 451059313 /nfs/dbraw/zinc/05/93/13/451059313.db2.gz SUFWYVQGSUUWGS-UHFFFAOYSA-N 2 0 338.427 1.065 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@@H](C)C1 ZINC000635572589 451071396 /nfs/dbraw/zinc/07/13/96/451071396.db2.gz MFBKAMYJQKYPBS-BBWFWOEESA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000627012725 451076780 /nfs/dbraw/zinc/07/67/80/451076780.db2.gz HHMJGWJKRLZYDG-WBVHZDCISA-N 2 0 334.464 1.124 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000627029754 451090921 /nfs/dbraw/zinc/09/09/21/451090921.db2.gz ZKOZDBKJAADPCF-UHFFFAOYSA-N 2 0 340.512 1.649 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1)[NH+](C)C ZINC000627033488 451091353 /nfs/dbraw/zinc/09/13/53/451091353.db2.gz LAKXHBVSVCKJSO-INMHGKMJSA-N 2 0 334.464 1.274 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000627038828 451095670 /nfs/dbraw/zinc/09/56/70/451095670.db2.gz OXJZVJXAQCVXPJ-JKSUJKDBSA-N 2 0 349.479 1.352 20 0 EDADRP Cc1cn2ccc(C(=O)N3CC[C@H](CN4CCOCC4)C3)cc2n1 ZINC000635610571 451102761 /nfs/dbraw/zinc/10/27/61/451102761.db2.gz FIRZDLCKNXYXHU-OAHLLOKOSA-N 2 0 328.416 1.437 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn(C2CC2)nn1 ZINC000625025064 451118107 /nfs/dbraw/zinc/11/81/07/451118107.db2.gz KSXNCZXKDBURFL-OAHLLOKOSA-N 2 0 334.468 1.101 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627188897 451175519 /nfs/dbraw/zinc/17/55/19/451175519.db2.gz CZTSVDMRZXBMKP-CABCVRRESA-N 2 0 340.855 1.230 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)CC(C)(C)C ZINC000635704383 451184397 /nfs/dbraw/zinc/18/43/97/451184397.db2.gz HTUKEMWVYWJNMW-IRXDYDNUSA-N 2 0 339.524 1.848 20 0 EDADRP C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086241 451252476 /nfs/dbraw/zinc/25/24/76/451252476.db2.gz QOKSMKKKFYFSDM-HKUYNNGSSA-N 2 0 346.519 1.682 20 0 EDADRP O=C(CN1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000638088911 451253401 /nfs/dbraw/zinc/25/34/01/451253401.db2.gz LQLMKRWLOLRKGV-UHFFFAOYSA-N 2 0 348.516 1.122 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)CC1 ZINC000625277883 451254673 /nfs/dbraw/zinc/25/46/73/451254673.db2.gz SBCZGKHTCZERQG-GOSISDBHSA-N 2 0 339.524 1.143 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638096964 451261546 /nfs/dbraw/zinc/26/15/46/451261546.db2.gz OQGDTXOSHUCDCO-MNOVXSKESA-N 2 0 344.410 1.210 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000638107832 451275681 /nfs/dbraw/zinc/27/56/81/451275681.db2.gz IAAQCCWICZSTDX-OAHLLOKOSA-N 2 0 346.475 1.126 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000638116876 451284169 /nfs/dbraw/zinc/28/41/69/451284169.db2.gz MFJFEPBXVVMVHJ-INIZCTEOSA-N 2 0 325.497 1.901 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000638120513 451288811 /nfs/dbraw/zinc/28/88/11/451288811.db2.gz FCCRNFUBHIREAX-QFBILLFUSA-N 2 0 344.459 1.908 20 0 EDADRP C[C@H]1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638129581 451300233 /nfs/dbraw/zinc/30/02/33/451300233.db2.gz BWWFCGYTGJKIEC-PXNSSMCTSA-N 2 0 345.487 1.865 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C2=CC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000638136985 451310874 /nfs/dbraw/zinc/31/08/74/451310874.db2.gz DMHQIXDMVXIBGV-MSOLQXFVSA-N 2 0 328.460 1.139 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)N2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000638137886 451313789 /nfs/dbraw/zinc/31/37/89/451313789.db2.gz PUEFJKUXWNKROO-ROUUACIJSA-N 2 0 338.540 1.055 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638144229 451318655 /nfs/dbraw/zinc/31/86/55/451318655.db2.gz BQOLEIFMQSJEKO-STQMWFEESA-N 2 0 345.447 1.113 20 0 EDADRP O=C([C@@H]1CC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000635899287 451342599 /nfs/dbraw/zinc/34/25/99/451342599.db2.gz JZXONBMNSUFCCF-WMZOPIPTSA-N 2 0 335.492 1.574 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)CCCC[NH2+]1 ZINC000638279816 451398610 /nfs/dbraw/zinc/39/86/10/451398610.db2.gz SGNUOQSVWYIAAF-IBGZPJMESA-N 2 0 346.475 1.321 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCC1 ZINC000635964754 451402172 /nfs/dbraw/zinc/40/21/72/451402172.db2.gz AKPMFXGKXLQSFN-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640562724 451407828 /nfs/dbraw/zinc/40/78/28/451407828.db2.gz NOEYOXQGZUVJQG-MRXNPFEDSA-N 2 0 349.479 1.718 20 0 EDADRP COC[C@@]1(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CCCC[NH2+]1 ZINC000638348374 451450053 /nfs/dbraw/zinc/45/00/53/451450053.db2.gz IYTGVUAKISRJKE-YXJHDRRASA-N 2 0 335.423 1.238 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638349429 451451124 /nfs/dbraw/zinc/45/11/24/451451124.db2.gz LXGDNYBIPOPIJX-LZLYRXPVSA-N 2 0 325.497 1.329 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350256 451451379 /nfs/dbraw/zinc/45/13/79/451451379.db2.gz FEDWESUFMHXIOM-ROUUACIJSA-N 2 0 338.455 1.362 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC1(O)CCC1 ZINC000630879416 451457406 /nfs/dbraw/zinc/45/74/06/451457406.db2.gz JTDHKPQJSOLJNO-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000638358544 451458598 /nfs/dbraw/zinc/45/85/98/451458598.db2.gz FEGWEGQTTBAEHJ-ZDUSSCGKSA-N 2 0 329.510 1.311 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000638367944 451467320 /nfs/dbraw/zinc/46/73/20/451467320.db2.gz RKNWMTOZRJKRIW-PNYFIKQUSA-N 2 0 343.471 1.486 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634699266 451472179 /nfs/dbraw/zinc/47/21/79/451472179.db2.gz HEIJQBBAUBPCAX-KZNAEPCWSA-N 2 0 342.524 1.627 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634699263 451472347 /nfs/dbraw/zinc/47/23/47/451472347.db2.gz HEIJQBBAUBPCAX-FGTMMUONSA-N 2 0 342.524 1.627 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)[C@@H]1CC[NH3+] ZINC000638391720 451481687 /nfs/dbraw/zinc/48/16/87/451481687.db2.gz YVOHJICOEKXWHJ-KBAYOESNSA-N 2 0 332.492 1.422 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000638405003 451492216 /nfs/dbraw/zinc/49/22/16/451492216.db2.gz SLERXLUDZVFXFU-DLBZAZTESA-N 2 0 332.492 1.435 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)[C@@H](C)O1 ZINC000638344334 451447412 /nfs/dbraw/zinc/44/74/12/451447412.db2.gz PCTDAWAQASXUKV-JFIYKMOQSA-N 2 0 345.487 1.910 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000638489909 451542041 /nfs/dbraw/zinc/54/20/41/451542041.db2.gz QFTUUJJKILVYBS-KRWDZBQOSA-N 2 0 345.491 1.050 20 0 EDADRP COCCc1ncc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)s1 ZINC000631038618 451546177 /nfs/dbraw/zinc/54/61/77/451546177.db2.gz DUENRBAJQUHUAU-MRXNPFEDSA-N 2 0 340.537 1.694 20 0 EDADRP COCC[NH2+]CC(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](C(C)C)C1 ZINC000638513485 451554360 /nfs/dbraw/zinc/55/43/60/451554360.db2.gz MQUTWAHIKSDIRG-GOSISDBHSA-N 2 0 333.476 1.591 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000638525683 451558407 /nfs/dbraw/zinc/55/84/07/451558407.db2.gz BCGXKDVEOCIIMR-MRXNPFEDSA-N 2 0 344.459 1.306 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000638526719 451559025 /nfs/dbraw/zinc/55/90/25/451559025.db2.gz NUYWPQBKWIIWCM-GOEBONIOSA-N 2 0 332.448 1.434 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])cc1 ZINC000638527773 451559576 /nfs/dbraw/zinc/55/95/76/451559576.db2.gz YBUCKTUZRSQIER-VQIMIIECSA-N 2 0 346.475 1.824 20 0 EDADRP c1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)sn1 ZINC000638531003 451560685 /nfs/dbraw/zinc/56/06/85/451560685.db2.gz ZPDCUUCYESZANE-UHFFFAOYSA-N 2 0 332.477 1.625 20 0 EDADRP C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC000638551177 451572186 /nfs/dbraw/zinc/57/21/86/451572186.db2.gz UXDHLLXJYPMYQO-KWCYVHTRSA-N 2 0 335.414 1.998 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638551191 451573150 /nfs/dbraw/zinc/57/31/50/451573150.db2.gz VBGJNLWZAPRDKM-ZSLBOAEBSA-N 2 0 333.398 1.893 20 0 EDADRP O=C1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCN1 ZINC000634953466 451621372 /nfs/dbraw/zinc/62/13/72/451621372.db2.gz AWLVGYFJLUYGJN-SFHVURJKSA-N 2 0 344.503 1.847 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)CC2)c1 ZINC000638640382 451626663 /nfs/dbraw/zinc/62/66/63/451626663.db2.gz ARIUWKQVWVGDMV-ZWKOTPCHSA-N 2 0 344.503 1.764 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC000638644647 451627740 /nfs/dbraw/zinc/62/77/40/451627740.db2.gz RKJSOEOQAVMGQP-RIEGTJTDSA-N 2 0 340.265 1.880 20 0 EDADRP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCOCC1 ZINC000638669289 451641648 /nfs/dbraw/zinc/64/16/48/451641648.db2.gz QMWYXCSLQOJWSE-YJBOKZPZSA-N 2 0 326.481 1.519 20 0 EDADRP CN(C)C(=O)N1CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000635008360 451648474 /nfs/dbraw/zinc/64/84/74/451648474.db2.gz JFTWBLMUZGRSTC-UHFFFAOYSA-N 2 0 332.452 1.049 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H]([NH3+])C[C@H]3C)c2)CC1 ZINC000632935159 451659051 /nfs/dbraw/zinc/65/90/51/451659051.db2.gz ZDHJLJWKDTZAFC-CABCVRRESA-N 2 0 331.464 1.782 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)COC1(C)C[NH2+]C1 ZINC000638834918 451705079 /nfs/dbraw/zinc/70/50/79/451705079.db2.gz IFFKSRAOOKTCIX-DOTOQJQBSA-N 2 0 331.460 1.249 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000638727644 451667530 /nfs/dbraw/zinc/66/75/30/451667530.db2.gz HMDQWEMHFCQHJT-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151132 451741455 /nfs/dbraw/zinc/74/14/55/451741455.db2.gz XPJDZCIHTUPMPA-NXHRZFHOSA-N 2 0 346.475 1.015 20 0 EDADRP CN(C(=O)NCC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000637167216 451746303 /nfs/dbraw/zinc/74/63/03/451746303.db2.gz ZIRQWOMBJBQWQK-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(CCOc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986943 451747347 /nfs/dbraw/zinc/74/73/47/451747347.db2.gz IUVFIICPBUAYAC-UHFFFAOYSA-N 2 0 326.400 1.899 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639019245 451752800 /nfs/dbraw/zinc/75/28/00/451752800.db2.gz DTFFPSOTBKZGQO-XOYOTBSWSA-N 2 0 331.460 1.520 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639057631 451759012 /nfs/dbraw/zinc/75/90/12/451759012.db2.gz SHKOYGIKQVQLPD-CYBMUJFWSA-N 2 0 328.407 1.359 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c2ccccc21 ZINC000639065325 451760770 /nfs/dbraw/zinc/76/07/70/451760770.db2.gz OZWCJRVYPMJKDZ-KGLIPLIRSA-N 2 0 340.431 1.295 20 0 EDADRP O=C(NCC[NH2+]C1CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000637297154 451784188 /nfs/dbraw/zinc/78/41/88/451784188.db2.gz DDJJHKSGJVJHEH-QPJJXVBHSA-N 2 0 328.460 1.779 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000644524121 451840482 /nfs/dbraw/zinc/84/04/82/451840482.db2.gz USWGDVVOTSUHQD-FGTMMUONSA-N 2 0 334.460 1.789 20 0 EDADRP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCOC1 ZINC000639312230 451821824 /nfs/dbraw/zinc/82/18/24/451821824.db2.gz UEEMFYPDSAROEH-MOPGFXCFSA-N 2 0 333.476 1.935 20 0 EDADRP O=C1[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCN1C1CCOCC1 ZINC000639363426 451846186 /nfs/dbraw/zinc/84/61/86/451846186.db2.gz ADDKMYUCIWZHGY-GOSISDBHSA-N 2 0 344.459 1.420 20 0 EDADRP C[N@H+](CC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000649102761 451846939 /nfs/dbraw/zinc/84/69/39/451846939.db2.gz KHIBQZFPCSOFAG-KURKYZTESA-N 2 0 347.528 1.885 20 0 EDADRP O[C@@]1(CN2CC[NH+](C3CCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639488550 451897939 /nfs/dbraw/zinc/89/79/39/451897939.db2.gz JVCPMMJMTJOECW-HXUWFJFHSA-N 2 0 329.488 1.794 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644561940 451863339 /nfs/dbraw/zinc/86/33/39/451863339.db2.gz JQLIIVFZILXCBW-MJGOQNOKSA-N 2 0 347.503 1.493 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]CCC(=O)Nc3ccccc3)C2)CC1 ZINC000644561981 451863603 /nfs/dbraw/zinc/86/36/03/451863603.db2.gz MQSQMDHQFNUWHV-KRWDZBQOSA-N 2 0 330.476 1.773 20 0 EDADRP C[C@H](C[NH2+]CCC(=O)Nc1ccccc1F)CN1CC[NH+](C)CC1 ZINC000644562728 451865123 /nfs/dbraw/zinc/86/51/23/451865123.db2.gz QENFOGSHMJBLTH-OAHLLOKOSA-N 2 0 336.455 1.627 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCO[C@H]([C@@H](C)[NH3+])C3)cc2)CC1 ZINC000646845245 451883594 /nfs/dbraw/zinc/88/35/94/451883594.db2.gz HLXLSAVBMFOTMB-QAPCUYQASA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000646848283 451885401 /nfs/dbraw/zinc/88/54/01/451885401.db2.gz NUQOUBYYFFZYEC-RYQLBKOJSA-N 2 0 331.460 1.473 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)[NH+](C)C)c1 ZINC000649278674 451948656 /nfs/dbraw/zinc/94/86/56/451948656.db2.gz WBEDRJKPQAGWJI-GJZGRUSLSA-N 2 0 341.402 1.659 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642645156 451905466 /nfs/dbraw/zinc/90/54/66/451905466.db2.gz SPPAXQVCZZDETF-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+]1CCC(CC(=O)Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000644699939 451942426 /nfs/dbraw/zinc/94/24/26/451942426.db2.gz DUVJHLCWKLKMDY-GOSISDBHSA-N 2 0 331.460 1.924 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CCCCCC1 ZINC000649280437 451952464 /nfs/dbraw/zinc/95/24/64/451952464.db2.gz UEJUTBOPWQWUQM-CQSZACIVSA-N 2 0 334.468 1.197 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639582759 451955860 /nfs/dbraw/zinc/95/58/60/451955860.db2.gz FOGPLSPPUXMCEK-GOSISDBHSA-N 2 0 348.535 1.489 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649287964 451961927 /nfs/dbraw/zinc/96/19/27/451961927.db2.gz UOMNFXQNOWVMDZ-UHFFFAOYSA-N 2 0 331.460 1.454 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649287926 451963000 /nfs/dbraw/zinc/96/30/00/451963000.db2.gz OQSVJZDRXMGMQS-KRWDZBQOSA-N 2 0 331.460 1.312 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000642788991 451965066 /nfs/dbraw/zinc/96/50/66/451965066.db2.gz KYNOVBYXORKHSS-RRQGHBQHSA-N 2 0 344.459 1.018 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccsc1 ZINC000649292367 451967849 /nfs/dbraw/zinc/96/78/49/451967849.db2.gz BPBQJEHPOOJWKQ-HUUCEWRRSA-N 2 0 325.478 1.483 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)cnn1C ZINC000649292850 451969570 /nfs/dbraw/zinc/96/95/70/451969570.db2.gz GOJSHPJHDZLEOI-ZZCKCESHSA-N 2 0 347.507 1.411 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@H+]2CCCC[C@@H]2C)cnn1C ZINC000649293327 451969905 /nfs/dbraw/zinc/96/99/05/451969905.db2.gz MDDACABQBICUSS-XKQJLSEDSA-N 2 0 333.480 1.022 20 0 EDADRP COc1cc(CNC(=O)CCC(C)(C)[NH3+])ccc1OCC[NH+](C)C ZINC000649301967 451978923 /nfs/dbraw/zinc/97/89/23/451978923.db2.gz BTZFHQGCAYOVKE-UHFFFAOYSA-N 2 0 337.464 1.769 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000649305099 451981737 /nfs/dbraw/zinc/98/17/37/451981737.db2.gz CXOIXJZPHRVLIH-UHFFFAOYSA-N 2 0 325.497 1.631 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)[C@H]1C[NH2+]C[C@@H]1c1cnn(C)c1C ZINC000649304888 451982269 /nfs/dbraw/zinc/98/22/69/451982269.db2.gz LQRURTMFHHDFIL-MSOLQXFVSA-N 2 0 349.523 1.660 20 0 EDADRP CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000642907504 451984604 /nfs/dbraw/zinc/98/46/04/451984604.db2.gz ABJXBKMICDXSQP-ZMSDIMECSA-N 2 0 346.475 1.134 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)CC2)cc1 ZINC000649309016 451986990 /nfs/dbraw/zinc/98/69/90/451986990.db2.gz OCCXVDCFRMGTMH-QRQLOZEOSA-N 2 0 343.471 1.774 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000649311432 451989144 /nfs/dbraw/zinc/98/91/44/451989144.db2.gz QBBUHGOINPPQSV-BBRMVZONSA-N 2 0 337.414 1.794 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])ccc2oc1=O ZINC000649312348 451989458 /nfs/dbraw/zinc/98/94/58/451989458.db2.gz IZZAFVIIZGTELF-OCCSQVGLSA-N 2 0 346.431 1.470 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649331934 452013560 /nfs/dbraw/zinc/01/35/60/452013560.db2.gz IQROPNHTGHHBHS-ROUUACIJSA-N 2 0 331.460 1.203 20 0 EDADRP Cc1ccc(NC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)c(C[NH+](C)C)c1 ZINC000649334913 452016011 /nfs/dbraw/zinc/01/60/11/452016011.db2.gz WJUACPWSWPZEBG-AWEZNQCLSA-N 2 0 328.420 1.435 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3C[NH2+]CCOC3)cc21 ZINC000649338823 452019724 /nfs/dbraw/zinc/01/97/24/452019724.db2.gz AEWYPMJENVAKCQ-OAHLLOKOSA-N 2 0 330.432 1.377 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1(C)C[NH2+]C1 ZINC000649345393 452027301 /nfs/dbraw/zinc/02/73/01/452027301.db2.gz YXNHHZDPJFOCCP-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649349812 452033215 /nfs/dbraw/zinc/03/32/15/452033215.db2.gz XYHRGEQFOPGPBF-UHFFFAOYSA-N 2 0 332.448 1.146 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000643135897 452045089 /nfs/dbraw/zinc/04/50/89/452045089.db2.gz YOVIIHMCVQCKBA-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)C[C@@H](C)[NH3+])CC2)c1 ZINC000649371070 452047719 /nfs/dbraw/zinc/04/77/19/452047719.db2.gz IOBIAPLMOQUXKC-IAGOWNOFSA-N 2 0 332.492 1.749 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000649378630 452052196 /nfs/dbraw/zinc/05/21/96/452052196.db2.gz PIDLUMZVLLOZMB-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414542 452076104 /nfs/dbraw/zinc/07/61/04/452076104.db2.gz GDOLCGRVMXUHBN-GJZGRUSLSA-N 2 0 338.521 1.968 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637832788 452106885 /nfs/dbraw/zinc/10/68/85/452106885.db2.gz MVUHRZYCXXQEEF-BMGDILEWSA-N 2 0 327.428 1.735 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833335 452107123 /nfs/dbraw/zinc/10/71/23/452107123.db2.gz RZEGMGHBCXCMEE-QZTJIDSGSA-N 2 0 326.444 1.262 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647189546 452115982 /nfs/dbraw/zinc/11/59/82/452115982.db2.gz BDELUQHOPPIVJD-UHFFFAOYSA-N 2 0 328.464 1.383 20 0 EDADRP CC[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000647268407 452155269 /nfs/dbraw/zinc/15/52/69/452155269.db2.gz BDWRANOCKJSURN-ZBFHGGJFSA-N 2 0 325.478 1.496 20 0 EDADRP [NH3+]CCOCC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000645157252 452182302 /nfs/dbraw/zinc/18/23/02/452182302.db2.gz OEOQFRKKUZWWGF-OAHLLOKOSA-N 2 0 325.840 1.568 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651953068 452188991 /nfs/dbraw/zinc/18/89/91/452188991.db2.gz OZEKVGOPMVYDHZ-UHFFFAOYSA-N 2 0 328.464 1.385 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000643426058 452211284 /nfs/dbraw/zinc/21/12/84/452211284.db2.gz YHPKQWKHAMQDKH-KRWDZBQOSA-N 2 0 327.428 1.887 20 0 EDADRP Cc1cc(CO)cc(N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)n1 ZINC000641717476 452216066 /nfs/dbraw/zinc/21/60/66/452216066.db2.gz BWIVLHUZLNMLAC-KRWDZBQOSA-N 2 0 334.464 1.091 20 0 EDADRP Nc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000641718740 452217561 /nfs/dbraw/zinc/21/75/61/452217561.db2.gz XTMMRTDEMXADDJ-UHFFFAOYSA-N 2 0 326.444 1.910 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H](CO)CCF)CC1 ZINC000652018737 452225351 /nfs/dbraw/zinc/22/53/51/452225351.db2.gz BDHDMPJKDGFDOF-ZDUSSCGKSA-N 2 0 329.847 1.902 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Oc2cnccn2)cc1 ZINC000647493215 452236881 /nfs/dbraw/zinc/23/68/81/452236881.db2.gz VBQVSOUJDVNWAJ-UHFFFAOYSA-N 2 0 327.432 1.606 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657432393 452247010 /nfs/dbraw/zinc/24/70/10/452247010.db2.gz NAGMNCHRTCDUDW-GOSISDBHSA-N 2 0 326.444 1.686 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000659424376 452266795 /nfs/dbraw/zinc/26/67/95/452266795.db2.gz CWZPUDYSGQZXPJ-TZMCWYRMSA-N 2 0 338.452 1.214 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000647541257 452273936 /nfs/dbraw/zinc/27/39/36/452273936.db2.gz UZUTUJWESAMAIP-MRXNPFEDSA-N 2 0 329.448 1.468 20 0 EDADRP c1ccc(CN2CCOCC2)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647549579 452277215 /nfs/dbraw/zinc/27/72/15/452277215.db2.gz IPGCJGOWPQTJCB-MISYRCLQSA-N 2 0 329.488 1.997 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NCC12CC(C1)C[NH2+]2 ZINC000659443736 452293475 /nfs/dbraw/zinc/29/34/75/452293475.db2.gz DGFMMACMQBMOPP-UHFFFAOYSA-N 2 0 342.487 1.950 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659450969 452300025 /nfs/dbraw/zinc/30/00/25/452300025.db2.gz JSXNADWFOPIILL-PGYGNJIDSA-N 2 0 342.487 1.602 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C)C(C)(C)C1)CCC(F)(F)F ZINC000641825561 452308588 /nfs/dbraw/zinc/30/85/88/452308588.db2.gz BPTGEVOWXGTIIU-UHFFFAOYSA-N 2 0 338.418 1.996 20 0 EDADRP CC[NH+](CC)CCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638046372 452311390 /nfs/dbraw/zinc/31/13/90/452311390.db2.gz HFWCXZVRQXWWIL-UHFFFAOYSA-N 2 0 346.519 1.828 20 0 EDADRP CCCN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000638045890 452311896 /nfs/dbraw/zinc/31/18/96/452311896.db2.gz BCBOPVBIANZSEY-GOSISDBHSA-N 2 0 332.492 1.436 20 0 EDADRP [NH3+]C[C@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655514047 452322634 /nfs/dbraw/zinc/32/26/34/452322634.db2.gz LEHZZTYEZWWVML-AWEZNQCLSA-N 2 0 329.366 1.904 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638050935 452322678 /nfs/dbraw/zinc/32/26/78/452322678.db2.gz VZFSEUJMLMWBSM-PKOBYXMFSA-N 2 0 333.476 1.434 20 0 EDADRP [NH3+]C[C@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCOC1 ZINC000638053644 452332895 /nfs/dbraw/zinc/33/28/95/452332895.db2.gz LIGWVSCZUIVXIK-LJQANCHMSA-N 2 0 331.460 1.654 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000638054817 452338986 /nfs/dbraw/zinc/33/89/86/452338986.db2.gz FVPSQLYYKLIVMP-MAUKXSAKSA-N 2 0 333.476 1.910 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000641966247 452353737 /nfs/dbraw/zinc/35/37/37/452353737.db2.gz YMBIWRXDUFOAAZ-UKPHBRMFSA-N 2 0 334.439 1.509 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)CN1CC[NH2+]CC1 ZINC000638063687 452360606 /nfs/dbraw/zinc/36/06/06/452360606.db2.gz OMIFSXKNGFGMID-QGZVFWFLSA-N 2 0 344.503 1.582 20 0 EDADRP COC1(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCOCC1 ZINC000657594878 452363971 /nfs/dbraw/zinc/36/39/71/452363971.db2.gz FBHHWLQGXDKTOZ-GOSISDBHSA-N 2 0 334.460 1.538 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638064433 452364539 /nfs/dbraw/zinc/36/45/39/452364539.db2.gz UBFOPVUERSXNGD-LJQANCHMSA-N 2 0 331.460 1.454 20 0 EDADRP CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000638080237 452396629 /nfs/dbraw/zinc/39/66/29/452396629.db2.gz SXRQMYWTJPIACC-IEBWSBKVSA-N 2 0 344.503 1.576 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659536124 452396686 /nfs/dbraw/zinc/39/66/86/452396686.db2.gz GEXJKIQETOTQJQ-QBPKDAKJSA-N 2 0 334.439 1.840 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638081093 452397547 /nfs/dbraw/zinc/39/75/47/452397547.db2.gz UFDGOGRZFUPSAB-WSTZPKSXSA-N 2 0 345.487 1.782 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652203517 452400632 /nfs/dbraw/zinc/40/06/32/452400632.db2.gz OQUQVGRAXUAMOU-JYJNAYRXSA-N 2 0 326.485 1.302 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652208591 452404695 /nfs/dbraw/zinc/40/46/95/452404695.db2.gz IWXBIJQUUXYRTB-ZJIFWQFVSA-N 2 0 326.485 1.288 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000652221358 452413583 /nfs/dbraw/zinc/41/35/83/452413583.db2.gz VVZJLAOJSINASA-JFUJAIADSA-N 2 0 342.487 1.897 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657651053 452419022 /nfs/dbraw/zinc/41/90/22/452419022.db2.gz OIKPJNOKYAIIBG-UHFFFAOYSA-N 2 0 331.420 1.429 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657650783 452419663 /nfs/dbraw/zinc/41/96/63/452419663.db2.gz WABPJXMWULSOME-AWEZNQCLSA-N 2 0 329.404 1.182 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000659577807 452432492 /nfs/dbraw/zinc/43/24/92/452432492.db2.gz XCCZSIXDLQQENH-BMGDILEWSA-N 2 0 330.476 1.901 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581527 452436430 /nfs/dbraw/zinc/43/64/30/452436430.db2.gz OTZVGPPPBHBHKT-BQGCOEIASA-N 2 0 334.439 1.650 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659583250 452438669 /nfs/dbraw/zinc/43/86/69/452438669.db2.gz ZUSBKSSLRTWXRY-NSNWQYSKSA-N 2 0 334.439 1.663 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC3([NH3+])CCC3)cc2)CC1 ZINC000645507195 452473999 /nfs/dbraw/zinc/47/39/99/452473999.db2.gz FFNWNHRMAPITQE-UHFFFAOYSA-N 2 0 330.476 1.322 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000655680471 452506197 /nfs/dbraw/zinc/50/61/97/452506197.db2.gz MHYPEQNWWQGONN-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP CCS(=O)(=O)C1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000657759450 452507586 /nfs/dbraw/zinc/50/75/86/452507586.db2.gz RRPQHNKQPLBXCX-UHFFFAOYSA-N 2 0 334.445 1.633 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345572 452519024 /nfs/dbraw/zinc/51/90/24/452519024.db2.gz GBYOZTZOECNFTI-BQFCYCMXSA-N 2 0 337.508 1.996 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(N)=O ZINC000647792111 452524176 /nfs/dbraw/zinc/52/41/76/452524176.db2.gz SYEXTTNOBUEJBT-RBSFLKMASA-N 2 0 333.432 1.037 20 0 EDADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cnc1N1CCOCC1 ZINC000647794706 452525924 /nfs/dbraw/zinc/52/59/24/452525924.db2.gz BIGVGTHPOMDTHL-HRCADAONSA-N 2 0 334.439 1.535 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794194 452526985 /nfs/dbraw/zinc/52/69/85/452526985.db2.gz UCLPZWRRRZIRGE-GSEOLPGOSA-N 3 0 329.488 1.731 20 0 EDADRP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647794269 452527294 /nfs/dbraw/zinc/52/72/94/452527294.db2.gz WLBGJOOCXOMDKF-MKXGPGLRSA-N 2 0 345.487 1.338 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCC2)[NH+](C)C)cc1 ZINC000659671915 452537280 /nfs/dbraw/zinc/53/72/80/452537280.db2.gz NMOUGVDKBOFECO-MRXNPFEDSA-N 2 0 346.475 1.102 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000657844760 452562852 /nfs/dbraw/zinc/56/28/52/452562852.db2.gz SMZVMMMCKYSTEI-MRXNPFEDSA-N 2 0 328.464 1.204 20 0 EDADRP O=C(c1cccc(O)c1)N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647884000 452623754 /nfs/dbraw/zinc/62/37/54/452623754.db2.gz SWEWYPLHGFUKAV-UHFFFAOYSA-N 2 0 331.460 1.930 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000663919708 452645580 /nfs/dbraw/zinc/64/55/80/452645580.db2.gz ICGBAIGFQKNLMY-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CCCCO3)C2)CC1 ZINC000661879925 452647351 /nfs/dbraw/zinc/64/73/51/452647351.db2.gz GDJALEIQCUZWKO-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)ccc1F ZINC000655913646 452673525 /nfs/dbraw/zinc/67/35/25/452673525.db2.gz ACTLSVIRNGIJKH-GFCCVEGCSA-N 2 0 336.333 1.576 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000655923191 452689243 /nfs/dbraw/zinc/68/92/43/452689243.db2.gz WGWCRNBULDSZRU-GFCCVEGCSA-N 2 0 340.390 1.065 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3OC)CC2)C1 ZINC000661947058 452701831 /nfs/dbraw/zinc/70/18/31/452701831.db2.gz FCMXMXZKFKXVMW-HNNXBMFYSA-N 2 0 347.463 1.406 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000645718637 452720551 /nfs/dbraw/zinc/72/05/51/452720551.db2.gz QYNVZLKOODWRAO-QXSJWSMHSA-N 2 0 348.495 1.126 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1CC(F)(F)F ZINC000647978179 452722451 /nfs/dbraw/zinc/72/24/51/452722451.db2.gz NRKGVIBJBNQAAS-MGPQQGTHSA-N 2 0 333.398 1.861 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655959187 452738557 /nfs/dbraw/zinc/73/85/57/452738557.db2.gz QQABMBLKQBMDAC-DLBZAZTESA-N 2 0 344.459 1.525 20 0 EDADRP CCO[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1C[NH3+] ZINC000652581247 452755423 /nfs/dbraw/zinc/75/54/23/452755423.db2.gz ULBVRDXQOFVPEP-IUODEOHRSA-N 2 0 330.392 1.095 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000655973864 452756761 /nfs/dbraw/zinc/75/67/61/452756761.db2.gz JSZOTWSJCVIHJB-IRXDYDNUSA-N 2 0 338.496 1.543 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C[C@H]1CNc2ccnn2C1 ZINC000648035014 452770263 /nfs/dbraw/zinc/77/02/63/452770263.db2.gz OWPLOLKHVNTZTQ-IAGOWNOFSA-N 2 0 334.512 1.273 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000654660681 452775330 /nfs/dbraw/zinc/77/53/30/452775330.db2.gz BODDKWOODUQVGX-XYVMCAHJSA-N 2 0 334.508 1.985 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(CO)COCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000658288931 452832429 /nfs/dbraw/zinc/83/24/29/452832429.db2.gz HRFDUUUJEXWEQY-MISYRCLQSA-N 2 0 347.503 1.322 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734939 452861416 /nfs/dbraw/zinc/86/14/16/452861416.db2.gz NRUKBLYNAFZZKD-IKGGRYGDSA-N 2 0 338.496 1.149 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000645889397 452881468 /nfs/dbraw/zinc/88/14/68/452881468.db2.gz HYCNBNXRNCXNMP-UHFFFAOYSA-N 2 0 338.375 1.036 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000648175908 452888159 /nfs/dbraw/zinc/88/81/59/452888159.db2.gz CZDRQLVSUDIFRT-ZMSDIMECSA-N 2 0 335.496 1.635 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648177599 452890448 /nfs/dbraw/zinc/89/04/48/452890448.db2.gz IOIOQNJETMBNBS-MSOLQXFVSA-N 2 0 343.471 1.228 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983496 452890719 /nfs/dbraw/zinc/89/07/19/452890719.db2.gz NZQQMHGNVYKUDT-HOCLYGCPSA-N 2 0 339.505 1.899 20 0 EDADRP O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255653 452986164 /nfs/dbraw/zinc/98/61/64/452986164.db2.gz ZRRQASAMFQRNEM-JKSUJKDBSA-N 2 0 348.422 1.543 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+][C@H]1CCCN2CCCC[C@@H]12 ZINC000656278171 453005483 /nfs/dbraw/zinc/00/54/83/453005483.db2.gz PPLFDAGYWGSHKX-IRXDYDNUSA-N 2 0 327.428 1.889 20 0 EDADRP CS(=O)(=O)NCC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662278659 453005573 /nfs/dbraw/zinc/00/55/73/453005573.db2.gz JHXGXDBYKWVAKI-UHFFFAOYSA-N 2 0 337.489 1.094 20 0 EDADRP OCC1([NH2+]CCCCCn2nnc(-c3ccccc3)n2)CC[NH2+]CC1 ZINC000662286748 453012632 /nfs/dbraw/zinc/01/26/32/453012632.db2.gz LAMAKZCNFNRBFN-UHFFFAOYSA-N 2 0 344.463 1.215 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C2=O)cn1 ZINC000662292562 453013599 /nfs/dbraw/zinc/01/35/99/453013599.db2.gz OCUZTWPXOAVMAO-AEFFLSMTSA-N 2 0 345.491 1.627 20 0 EDADRP CN(Cc1cnn(C)c1)C(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662291549 453013639 /nfs/dbraw/zinc/01/36/39/453013639.db2.gz HZWFPGGWEAMIDK-KRWDZBQOSA-N 2 0 333.480 1.090 20 0 EDADRP O=c1cc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)nc2sccn21 ZINC000662291264 453013848 /nfs/dbraw/zinc/01/38/48/453013848.db2.gz QYFMDTOASCPVPX-AWEZNQCLSA-N 2 0 332.473 1.968 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)n1 ZINC000662293138 453017320 /nfs/dbraw/zinc/01/73/20/453017320.db2.gz JZZUVDWJGRVAKT-DLBZAZTESA-N 2 0 345.491 1.627 20 0 EDADRP CN(C(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)C1CC1 ZINC000662326773 453045739 /nfs/dbraw/zinc/04/57/39/453045739.db2.gz BUZUYLNZAUTQSF-UHFFFAOYSA-N 2 0 345.491 1.677 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000662337227 453053714 /nfs/dbraw/zinc/05/37/14/453053714.db2.gz KIPMMGFURXETOH-DLBZAZTESA-N 2 0 347.507 1.958 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000662346561 453065055 /nfs/dbraw/zinc/06/50/55/453065055.db2.gz SYVDQXVLEDMUGU-HZPDHXFCSA-N 2 0 341.459 1.389 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCO[C@@H]3CC3(F)F)CC2)CC1 ZINC000660151318 453083291 /nfs/dbraw/zinc/08/32/91/453083291.db2.gz ROSHHMIIXJSKAU-MRXNPFEDSA-N 2 0 331.451 1.901 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662402871 453114987 /nfs/dbraw/zinc/11/49/87/453114987.db2.gz PXRGUHRKXLHCBR-AWEZNQCLSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000666770762 453136288 /nfs/dbraw/zinc/13/62/88/453136288.db2.gz VRNPMZBGNSRDJJ-BLLLJJGKSA-N 2 0 330.432 1.245 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000662444068 453149801 /nfs/dbraw/zinc/14/98/01/453149801.db2.gz DLGNQKYKBMCDOC-SJORKVTESA-N 2 0 325.497 1.853 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cccc(CN3CCOCC3)c2)CC1(C)C ZINC000655051549 453172249 /nfs/dbraw/zinc/17/22/49/453172249.db2.gz NXGXFMWPKCLBSS-UHFFFAOYSA-N 2 0 331.460 1.685 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc2c1C[NH2+]C2 ZINC000662466253 453175845 /nfs/dbraw/zinc/17/58/45/453175845.db2.gz DRTXTLIQCIAXJR-CQSZACIVSA-N 2 0 329.444 1.521 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000662508334 453224809 /nfs/dbraw/zinc/22/48/09/453224809.db2.gz AIVOLFHBPMCCBJ-SFHVURJKSA-N 2 0 348.491 1.908 20 0 EDADRP CCN1C[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1=O ZINC000648746861 453231424 /nfs/dbraw/zinc/23/14/24/453231424.db2.gz NVRBJBKSQKCTNW-QGZVFWFLSA-N 2 0 331.460 1.872 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)C2)ccc1C[NH+](C)C ZINC000662517527 453235310 /nfs/dbraw/zinc/23/53/10/453235310.db2.gz IQWIGTJICZOLST-INIZCTEOSA-N 2 0 332.448 1.206 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)c2cn(CCC[NH3+])nn2)cc1 ZINC000646278626 453283995 /nfs/dbraw/zinc/28/39/95/453283995.db2.gz GBUUUOUPGNMUBY-UHFFFAOYSA-N 2 0 346.435 1.210 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653112964 453299610 /nfs/dbraw/zinc/29/96/10/453299610.db2.gz OEYHSKOEYSKUCT-DLBZAZTESA-N 2 0 331.460 1.774 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666979160 453300545 /nfs/dbraw/zinc/30/05/45/453300545.db2.gz OEYWMILCQDHTMC-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576425 453303922 /nfs/dbraw/zinc/30/39/22/453303922.db2.gz XMIJSUFAXWRYLF-NVXWUHKLSA-N 2 0 340.431 1.135 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000653121796 453312812 /nfs/dbraw/zinc/31/28/12/453312812.db2.gz BUYKCPKTMBWJRE-OFQRWUPVSA-N 2 0 338.521 1.526 20 0 EDADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653122069 453313414 /nfs/dbraw/zinc/31/34/14/453313414.db2.gz KRYSCIVYQHZONL-MSOLQXFVSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@H]2CO)CC[N@@H+]1C ZINC000648833514 453314761 /nfs/dbraw/zinc/31/47/61/453314761.db2.gz OSFNIDHLIYAVEL-LULLPPNCSA-N 2 0 345.487 1.326 20 0 EDADRP C[C@@H](CCNC(=O)[C@]12C[NH2+]C[C@H]1COC2)[N@H+](C)Cc1ccccc1 ZINC000653124170 453317650 /nfs/dbraw/zinc/31/76/50/453317650.db2.gz SFWKHWWGZIIRIN-IEZWGBDMSA-N 2 0 331.460 1.249 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653125082 453319849 /nfs/dbraw/zinc/31/98/49/453319849.db2.gz SDSHBRZAHMXIOG-MOPGFXCFSA-N 2 0 342.487 1.903 20 0 EDADRP O=C([C@@H]1CC[C@H](C2CC2)[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000653153462 453342113 /nfs/dbraw/zinc/34/21/13/453342113.db2.gz PYADPHYNURKUPM-MOPGFXCFSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000651193317 453343146 /nfs/dbraw/zinc/34/31/46/453343146.db2.gz SCTNLZNWTNCGIH-QGZVFWFLSA-N 2 0 340.512 1.328 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638491 453354291 /nfs/dbraw/zinc/35/42/91/453354291.db2.gz RLCBHMZZJGRDDR-ROUUACIJSA-N 2 0 330.476 1.798 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000646378365 453355213 /nfs/dbraw/zinc/35/52/13/453355213.db2.gz JMHWKJJLWIIKDE-HRCADAONSA-N 2 0 346.479 1.054 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)N1CCC[C@@H]([C@H]3C[C@H]([NH3+])CCO3)C1)C2 ZINC000653183169 453373433 /nfs/dbraw/zinc/37/34/33/453373433.db2.gz AKGBQVLUUGJVNA-MLYSULIFSA-N 2 0 349.519 1.885 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662660073 453373900 /nfs/dbraw/zinc/37/39/00/453373900.db2.gz BIPWVVGSVDAXTC-ZWKOTPCHSA-N 2 0 332.492 1.041 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cncn2C)CC[N@@H+]1C ZINC000648899212 453377522 /nfs/dbraw/zinc/37/75/22/453377522.db2.gz BEPFMOPAPGKMAK-KYHPRHEASA-N 2 0 347.507 1.602 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CCO[C@H]2C[NH3+])[NH+]2CCCC2)c1 ZINC000662665019 453377963 /nfs/dbraw/zinc/37/79/63/453377963.db2.gz ZAMFPFNDIACXGZ-BZSNNMDCSA-N 2 0 347.459 1.312 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662668214 453382045 /nfs/dbraw/zinc/38/20/45/453382045.db2.gz IWXYOMOOIBLCLH-HOTGVXAUSA-N 2 0 348.495 1.587 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662668050 453382686 /nfs/dbraw/zinc/38/26/86/453382686.db2.gz HHVJZXOZILIBTN-SJLPKXTDSA-N 2 0 345.491 1.944 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662674466 453390319 /nfs/dbraw/zinc/39/03/19/453390319.db2.gz CKCIGOFREPXCNF-UHFFFAOYSA-N 2 0 332.448 1.578 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)NCCN2CC[NH2+]CC2)cc1 ZINC000667084353 453394948 /nfs/dbraw/zinc/39/49/48/453394948.db2.gz RDURXAWXKWTZIR-UHFFFAOYSA-N 2 0 349.479 1.044 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCCC3(C[NH3+])CC3)cc2)CC1 ZINC000653220690 453409607 /nfs/dbraw/zinc/40/96/07/453409607.db2.gz SRXJCVAAXPUREP-UHFFFAOYSA-N 2 0 330.476 1.293 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662699441 453420170 /nfs/dbraw/zinc/42/01/70/453420170.db2.gz AHJYMULBMJIPMW-CALCHBBNSA-N 2 0 348.535 1.665 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660587264 453429171 /nfs/dbraw/zinc/42/91/71/453429171.db2.gz QHAZAXHBTGCZKM-UHFFFAOYSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000667152681 453442256 /nfs/dbraw/zinc/44/22/56/453442256.db2.gz WPHMLUDSSWXCFO-CQSZACIVSA-N 2 0 336.484 1.687 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)c2cc(C(C)(C)[NH3+])no2)ccc1F ZINC000662731309 453457533 /nfs/dbraw/zinc/45/75/33/453457533.db2.gz BKHDRIIRSPIRSA-UHFFFAOYSA-N 2 0 334.395 1.999 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@H]1CCOC[C@H]1C ZINC000664882981 453462272 /nfs/dbraw/zinc/46/22/72/453462272.db2.gz VMZBYCAFPFMUQD-OWCLPIDISA-N 2 0 328.501 1.230 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662739900 453464722 /nfs/dbraw/zinc/46/47/22/453464722.db2.gz VAPOCWUZJQESSK-JOCQHMNTSA-N 2 0 345.447 1.578 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000664898064 453469622 /nfs/dbraw/zinc/46/96/22/453469622.db2.gz XXWQULHHBLFJNV-YOEHRIQHSA-N 2 0 334.464 1.003 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000662744220 453472969 /nfs/dbraw/zinc/47/29/69/453472969.db2.gz YIJMPKOFEVLKDL-HNNXBMFYSA-N 2 0 340.512 1.117 20 0 EDADRP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662746428 453474272 /nfs/dbraw/zinc/47/42/72/453474272.db2.gz PLFRXQKJZXFRRI-ZFWWWQNUSA-N 2 0 333.398 1.863 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCc1nccc(C(F)F)n1 ZINC000664908424 453474805 /nfs/dbraw/zinc/47/48/05/453474805.db2.gz KZYCLDAIIDELGN-UHFFFAOYSA-N 2 0 344.410 1.097 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC000662749165 453479706 /nfs/dbraw/zinc/47/97/06/453479706.db2.gz HNSFSHWQBOZROV-FOIPXRHGSA-N 2 0 337.508 1.709 20 0 EDADRP [NH3+][C@H]1C[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000662758914 453497355 /nfs/dbraw/zinc/49/73/55/453497355.db2.gz VEGQSQADJPZOBO-IYARVYRRSA-N 2 0 330.476 1.048 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)cc2C1 ZINC000662763569 453501417 /nfs/dbraw/zinc/50/14/17/453501417.db2.gz GNKCPLMEUIJESQ-IINYFYTJSA-N 2 0 328.338 1.378 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000667266016 453525085 /nfs/dbraw/zinc/52/50/85/453525085.db2.gz JVFMMLPKFBDCTR-HNNXBMFYSA-N 2 0 332.448 1.253 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000662800169 453534821 /nfs/dbraw/zinc/53/48/21/453534821.db2.gz ZKQYQMVGEVXDGR-DTDBQYNISA-N 2 0 329.444 1.827 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)on1 ZINC000662805323 453539792 /nfs/dbraw/zinc/53/97/92/453539792.db2.gz KOSPHVWKDZCQSO-TZMCWYRMSA-N 2 0 332.448 1.957 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C2)C1 ZINC000662828189 453554335 /nfs/dbraw/zinc/55/43/35/453554335.db2.gz UKENADKZWDTHDU-XFMPKHEZSA-N 2 0 349.397 1.273 20 0 EDADRP [NH3+]CC1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCCC1 ZINC000662860968 453576056 /nfs/dbraw/zinc/57/60/56/453576056.db2.gz WHNMHSQHLNXRSI-KRWDZBQOSA-N 2 0 331.460 1.389 20 0 EDADRP [NH3+]Cc1cc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)co1 ZINC000662861227 453576822 /nfs/dbraw/zinc/57/68/22/453576822.db2.gz YJTJMQIJPLFXAS-INIZCTEOSA-N 2 0 329.400 1.235 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC3([NH3+])CCCC3)CC2)c1 ZINC000662863020 453577740 /nfs/dbraw/zinc/57/77/40/453577740.db2.gz JJIATZRAVFUKET-UHFFFAOYSA-N 2 0 344.503 1.895 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000662871315 453581917 /nfs/dbraw/zinc/58/19/17/453581917.db2.gz WYXJANCVOFBYPT-JGGQBBKZSA-N 2 0 337.439 1.784 20 0 EDADRP CN(C(=O)[C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899401 453593043 /nfs/dbraw/zinc/59/30/43/453593043.db2.gz CMXJCDHRUXURKO-DLBZAZTESA-N 2 0 334.508 1.003 20 0 EDADRP CN(C(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899452 453594435 /nfs/dbraw/zinc/59/44/35/453594435.db2.gz DCXXFSOKJOQXDR-BZSNNMDCSA-N 2 0 334.508 1.144 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000662925921 453608887 /nfs/dbraw/zinc/60/88/87/453608887.db2.gz FVJWEARVNRHAOO-GOSISDBHSA-N 2 0 332.492 1.688 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000662943010 453618317 /nfs/dbraw/zinc/61/83/17/453618317.db2.gz NXGHEOMMUFEIKD-SFHVURJKSA-N 2 0 346.475 1.102 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000665282220 453634784 /nfs/dbraw/zinc/63/47/84/453634784.db2.gz TYFSWJGGLWKNEA-DZGCQCFKSA-N 2 0 327.494 1.975 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292089 453639340 /nfs/dbraw/zinc/63/93/40/453639340.db2.gz SGHPVHAPSTXGEM-CJNGLKHVSA-N 2 0 342.447 1.036 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182837 453724013 /nfs/dbraw/zinc/72/40/13/453724013.db2.gz KYRIQXKEOUSZPQ-CQSZACIVSA-N 2 0 325.478 1.880 20 0 EDADRP OCCn1ncc2c1CCC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657324708 453765595 /nfs/dbraw/zinc/76/55/95/453765595.db2.gz BLAOHAJBHURIFR-QGZVFWFLSA-N 2 0 338.415 1.623 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657354003 453772852 /nfs/dbraw/zinc/77/28/52/453772852.db2.gz MSNKLVIXKTYZMU-QFBILLFUSA-N 2 0 333.476 1.580 20 0 EDADRP COCc1nc2n(n1)C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000657393964 453780736 /nfs/dbraw/zinc/78/07/36/453780736.db2.gz DYIXHVNQUSBUKU-CYBMUJFWSA-N 2 0 339.403 1.110 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C(C)C ZINC000663421294 453793490 /nfs/dbraw/zinc/79/34/90/453793490.db2.gz YMVGUISTRNLJJM-QGZVFWFLSA-N 2 0 342.528 1.857 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000663488309 453808328 /nfs/dbraw/zinc/80/83/28/453808328.db2.gz BKFRKUYWDNSZNH-UHFFFAOYSA-N 2 0 329.444 1.099 20 0 EDADRP CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663499984 453810968 /nfs/dbraw/zinc/81/09/68/453810968.db2.gz HOKNDLFKNVIXKB-FUHWJXTLSA-N 2 0 330.476 1.394 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cn(C)nc2C(C)(C)C)CC1 ZINC000663502841 453811311 /nfs/dbraw/zinc/81/13/11/453811311.db2.gz CTAQRHPLSWTZOA-UHFFFAOYSA-N 2 0 349.523 1.798 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000680012727 486695314 /nfs/dbraw/zinc/69/53/14/486695314.db2.gz VRUTXFILVZWQGQ-IEBWSBKVSA-N 2 0 345.487 1.688 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000672699747 486768119 /nfs/dbraw/zinc/76/81/19/486768119.db2.gz FLLFCNXVAAFMAC-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000074489773 486785676 /nfs/dbraw/zinc/78/56/76/486785676.db2.gz XMNCJPLIPIOXDP-GOSISDBHSA-N 2 0 330.476 1.017 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000667641688 486893823 /nfs/dbraw/zinc/89/38/23/486893823.db2.gz ZPRGMLQJQBORFV-JKSUJKDBSA-N 2 0 348.495 1.688 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])c1 ZINC000430895783 486897657 /nfs/dbraw/zinc/89/76/57/486897657.db2.gz VAUJVAUBDLRSAQ-MSOLQXFVSA-N 2 0 349.475 1.387 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000681188664 486963768 /nfs/dbraw/zinc/96/37/68/486963768.db2.gz OSURXAGGYFTDMX-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C[C@H]1C ZINC000677189724 487001789 /nfs/dbraw/zinc/00/17/89/487001789.db2.gz BWBPQUMPLJQLJU-SJLPKXTDSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000673638003 487074700 /nfs/dbraw/zinc/07/47/00/487074700.db2.gz RPZVBOXUYVTPCQ-GASCZTMLSA-N 2 0 346.475 1.789 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](C[C@H]3CCCO3)CC2)CC1 ZINC000673650399 487076640 /nfs/dbraw/zinc/07/66/40/487076640.db2.gz QFKZATSHQYOSNX-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000685043618 487219797 /nfs/dbraw/zinc/21/97/97/487219797.db2.gz XRBJUOCZJDHIGH-UHFFFAOYSA-N 3 0 348.535 1.743 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000674246407 487223042 /nfs/dbraw/zinc/22/30/42/487223042.db2.gz KHCRPIJPWUNFMD-DZGCQCFKSA-N 2 0 332.448 1.273 20 0 EDADRP COCC[C@H](C)[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000531779740 487349584 /nfs/dbraw/zinc/34/95/84/487349584.db2.gz IHJPZXDPTURTRE-HNNXBMFYSA-N 2 0 327.513 1.827 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000679086526 487390927 /nfs/dbraw/zinc/39/09/27/487390927.db2.gz KFZASRGVSRRRSG-MJGOQNOKSA-N 2 0 346.519 1.947 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000679764082 487464021 /nfs/dbraw/zinc/46/40/21/487464021.db2.gz RHBPQSDBPNAYIO-ZWKOTPCHSA-N 2 0 346.475 1.147 20 0 EDADRP C[NH+](C)CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000679772533 487464550 /nfs/dbraw/zinc/46/45/50/487464550.db2.gz DNBXAOAOWTUIQM-QGZVFWFLSA-N 2 0 334.464 1.004 20 0 EDADRP O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N1CC[NH2+]CC1 ZINC000669556736 485559983 /nfs/dbraw/zinc/55/99/83/485559983.db2.gz CXWMQSXRMNEZLN-CEXWTWQISA-N 2 0 342.487 1.902 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)c1 ZINC000669201341 485802710 /nfs/dbraw/zinc/80/27/10/485802710.db2.gz PKDGGJRWRUPDPC-YJBOKZPZSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000669323276 485969703 /nfs/dbraw/zinc/96/97/03/485969703.db2.gz GXYVRZZTUANPQY-CGTJXYLNSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668649544 485994141 /nfs/dbraw/zinc/99/41/41/485994141.db2.gz QLXFKIDMPOOMMV-OKZBNKHCSA-N 2 0 330.476 1.553 20 0 EDADRP OCC1(CO)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000668666703 486016932 /nfs/dbraw/zinc/01/69/32/486016932.db2.gz QSQXICDFJOUNRG-UHFFFAOYSA-N 2 0 334.460 1.338 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000669386739 486021496 /nfs/dbraw/zinc/02/14/96/486021496.db2.gz BJRCXSRWMIWKAL-RCCFBDPRSA-N 2 0 330.476 1.936 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420766 486140776 /nfs/dbraw/zinc/14/07/76/486140776.db2.gz WMJVPVJCXSSAHG-GOSISDBHSA-N 2 0 348.491 1.434 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484226 486250125 /nfs/dbraw/zinc/25/01/25/486250125.db2.gz KTEXSGLQCHJRIS-UXLLHSPISA-N 2 0 337.512 1.066 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484419 486250280 /nfs/dbraw/zinc/25/02/80/486250280.db2.gz WDJWFCDDUPMYEP-WMZOPIPTSA-N 2 0 345.491 1.154 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)NS(C)(=O)=O ZINC000089581953 491197332 /nfs/dbraw/zinc/19/73/32/491197332.db2.gz NSNRQCLWNDPHBS-UHFFFAOYSA-N 2 0 331.526 1.701 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000132151846 491215133 /nfs/dbraw/zinc/21/51/33/491215133.db2.gz PVUTYDKSZDUYSM-UHFFFAOYSA-N 2 0 331.508 1.799 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CC[NH+](C)CC1 ZINC000130537471 491006078 /nfs/dbraw/zinc/00/60/78/491006078.db2.gz KZYZRYVBVRYUES-INIZCTEOSA-N 3 0 331.508 1.653 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000181142644 534447877 /nfs/dbraw/zinc/44/78/77/534447877.db2.gz BCSPSZGTXWDMBW-NTDBWNAOSA-N 2 0 345.487 1.985 20 0 EDADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180995778 534850543 /nfs/dbraw/zinc/85/05/43/534850543.db2.gz UDLWRHGCALLEPK-AWEZNQCLSA-N 2 0 343.475 1.871 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2C(C)C ZINC000246374015 536503429 /nfs/dbraw/zinc/50/34/29/536503429.db2.gz QJYAATRXLKPECS-SJORKVTESA-N 2 0 340.512 1.611 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000154794950 528242463 /nfs/dbraw/zinc/24/24/63/528242463.db2.gz SHPMMVPSHJFHDD-UHFFFAOYSA-N 2 0 348.491 1.874 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000164596039 529037878 /nfs/dbraw/zinc/03/78/78/529037878.db2.gz DKABVDQYBMWBGR-MPGHIAIKSA-N 2 0 333.476 1.895 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000261825661 535097156 /nfs/dbraw/zinc/09/71/56/535097156.db2.gz HPQINMOGSUQCTG-KRWDZBQOSA-N 2 0 328.460 1.838 20 0 EDADRP CCOC(=O)CCCCC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000344783668 535626733 /nfs/dbraw/zinc/62/67/33/535626733.db2.gz YPJUURZOZFDRRW-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000347061256 535667777 /nfs/dbraw/zinc/66/77/77/535667777.db2.gz MLIWXBJPZWGHJD-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000236905880 535677536 /nfs/dbraw/zinc/67/75/36/535677536.db2.gz WFPDJXZFBVYWHW-HNNXBMFYSA-N 2 0 334.468 1.067 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)[N@@H+](C4CC4)C3)C2)CC1 ZINC000130293861 535732191 /nfs/dbraw/zinc/73/21/91/535732191.db2.gz DTZCSQJAVCFLDI-XYJFISCASA-N 2 0 349.523 1.033 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000236991332 535932798 /nfs/dbraw/zinc/93/27/98/535932798.db2.gz LNLKFCNFXILOGT-NWDGAFQWSA-N 2 0 332.404 1.222 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717678 535955084 /nfs/dbraw/zinc/95/50/84/535955084.db2.gz WPBDAJAWCMYTJA-QRTARXTBSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262351252 536018188 /nfs/dbraw/zinc/01/81/88/536018188.db2.gz ULXFXTVEVGEDLD-AWEZNQCLSA-N 2 0 325.478 1.498 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CCCC[C@H]3C[NH3+])c2)CC1 ZINC000237218962 536416345 /nfs/dbraw/zinc/41/63/45/536416345.db2.gz GHXGTRGQKVTNLF-OALUTQOASA-N 2 0 344.503 1.681 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)cn2)CC1 ZINC000270507148 536420749 /nfs/dbraw/zinc/42/07/49/536420749.db2.gz OSHNGJGTMDGVIJ-QXAKKESOSA-N 2 0 342.487 1.881 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC[NH2+]C1 ZINC000261601946 536815281 /nfs/dbraw/zinc/81/52/81/536815281.db2.gz BOQLZHXCZCJUSD-SJLPKXTDSA-N 2 0 335.448 1.040 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000742107984 579434895 /nfs/dbraw/zinc/43/48/95/579434895.db2.gz ZEYBVJAYOQFYQL-KRWDZBQOSA-N 2 0 325.497 1.679 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=S)NCC[NH+](C)C ZINC000743035455 579468538 /nfs/dbraw/zinc/46/85/38/579468538.db2.gz DRBMUGXCOOVVGS-KRWDZBQOSA-N 2 0 334.533 1.876 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC2OCCCO2)CC1 ZINC000748049773 578478416 /nfs/dbraw/zinc/47/84/16/578478416.db2.gz QYTNGMJQODZQPB-IAGOWNOFSA-N 2 0 325.497 1.630 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=S)NCCC[NH+](C)C)CC1 ZINC000730733719 578656104 /nfs/dbraw/zinc/65/61/04/578656104.db2.gz MHZCHWZALJPVFA-UHFFFAOYSA-N 2 0 330.542 1.292 20 0 EDADRP CN(C(=O)/C=C/c1cnccn1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000732558531 578718481 /nfs/dbraw/zinc/71/84/81/578718481.db2.gz AZXJJYZIDJBFRI-IDOMTICXSA-N 2 0 329.448 1.117 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)C(C)C ZINC000734667326 578828554 /nfs/dbraw/zinc/82/85/54/578828554.db2.gz YELIWWXQKXHNEX-KRWDZBQOSA-N 2 0 339.528 1.138 20 0 EDADRP C(CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CCC[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000748813667 579701020 /nfs/dbraw/zinc/70/10/20/579701020.db2.gz PQOUDWWKUCDPOJ-WTGUMLROSA-N 4 0 334.552 1.629 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000748947272 579707650 /nfs/dbraw/zinc/70/76/50/579707650.db2.gz GYANPTAELGVDEV-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000754408459 579902906 /nfs/dbraw/zinc/90/29/06/579902906.db2.gz NMMVYKZCKHDYHW-HUUCEWRRSA-N 2 0 327.469 1.336 20 0 EDADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764531234 580122849 /nfs/dbraw/zinc/12/28/49/580122849.db2.gz BEGGWGLKGACBRQ-DAWZGUTISA-N 2 0 334.508 1.290 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775386977 580389885 /nfs/dbraw/zinc/38/98/85/580389885.db2.gz UZNFWBQBVZZGQA-OAGGEKHMSA-N 2 0 329.579 1.983 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(Br)n1 ZINC000775607281 580395186 /nfs/dbraw/zinc/39/51/86/580395186.db2.gz JKOFTDJEKCQHJC-UHFFFAOYSA-N 2 0 343.269 1.410 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000776043262 580406865 /nfs/dbraw/zinc/40/68/65/580406865.db2.gz DLAAENZLPVVILT-QGZVFWFLSA-N 2 0 336.480 1.191 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000776596185 580423446 /nfs/dbraw/zinc/42/34/46/580423446.db2.gz LNGGOGPDXRPZMR-YFHOEESVSA-N 2 0 331.460 1.804 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000891806114 590629083 /nfs/dbraw/zinc/62/90/83/590629083.db2.gz VTDHFQZGSOCQCX-MRXNPFEDSA-N 2 0 345.491 1.687 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)[C@H]1OC ZINC000893047125 590634767 /nfs/dbraw/zinc/63/47/67/590634767.db2.gz KMKQMTLWYHHXSF-LCWAXJCOSA-N 2 0 348.487 1.651 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891910982 590681919 /nfs/dbraw/zinc/68/19/19/590681919.db2.gz XEBSNQUQYQXPAE-FRRDWIJNSA-N 2 0 338.418 1.885 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)cc1 ZINC000892211332 590865825 /nfs/dbraw/zinc/86/58/25/590865825.db2.gz WONDNDJHPPEANK-SFHVURJKSA-N 2 0 326.444 1.905 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCC(C)(C)[NH3+])cc1 ZINC000892256679 590889728 /nfs/dbraw/zinc/88/97/28/590889728.db2.gz DASIDWNFJCJXHG-HOTGVXAUSA-N 2 0 334.464 1.567 20 0 EDADRP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CC[NH2+]C1 ZINC000892257909 590890650 /nfs/dbraw/zinc/89/06/50/590890650.db2.gz VOXPPGVBAAUDKA-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000892306825 590928409 /nfs/dbraw/zinc/92/84/09/590928409.db2.gz HJHSLQRQEPSGEX-MXSMSXNCSA-N 2 0 330.476 1.804 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892343149 590971583 /nfs/dbraw/zinc/97/15/83/590971583.db2.gz KJJCRRPQXCLINF-HNNXBMFYSA-N 2 0 330.476 1.816 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC1 ZINC000892430294 591024815 /nfs/dbraw/zinc/02/48/15/591024815.db2.gz FEAAQNBAJLDYCT-ZDEQEGDKSA-N 2 0 336.402 1.673 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)[NH+](C)C)cc1 ZINC000891447419 591074930 /nfs/dbraw/zinc/07/49/30/591074930.db2.gz VYENBULUAFYBEG-JENIJYKNSA-N 2 0 330.476 1.849 20 0 EDADRP COC(=O)c1c[nH]c(C[NH2+]CCCC[NH+]2CCOCC2)c1C1CC1 ZINC000892595354 591085224 /nfs/dbraw/zinc/08/52/24/591085224.db2.gz SKYDSYZFISECRG-UHFFFAOYSA-N 2 0 335.448 1.881 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C3CCS(=O)CC3)cn2)CC1 ZINC000892595117 591087232 /nfs/dbraw/zinc/08/72/32/591087232.db2.gz GJTRZUWUJYGJPK-UHFFFAOYSA-N 2 0 336.505 1.224 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534724 591111760 /nfs/dbraw/zinc/11/17/60/591111760.db2.gz QDPQUDKVFRMLGA-CMKODMSKSA-N 2 0 344.503 1.752 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891537410 591112523 /nfs/dbraw/zinc/11/25/23/591112523.db2.gz BXPXQECUZKNSSE-QZTJIDSGSA-N 2 0 330.476 1.875 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)[NH+](C)C)c1 ZINC000891539289 591116192 /nfs/dbraw/zinc/11/61/92/591116192.db2.gz PDPKTZFTVRWCGX-SOLBZPMBSA-N 2 0 346.475 1.501 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCCC(C)(C)[NH3+])[C@@H](C)C1 ZINC000891567093 591129368 /nfs/dbraw/zinc/12/93/68/591129368.db2.gz VPLOCTYXDALLRZ-LSDHHAIUSA-N 2 0 328.501 1.550 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC23CC[NH+](C)CC3)C1 ZINC000891598431 591142775 /nfs/dbraw/zinc/14/27/75/591142775.db2.gz TYFQPBMMMDNKNQ-MRXNPFEDSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891634654 591159834 /nfs/dbraw/zinc/15/98/34/591159834.db2.gz PGEHYTNUUHBKOR-SJORKVTESA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCSC1 ZINC000891637532 591161331 /nfs/dbraw/zinc/16/13/31/591161331.db2.gz CXBYJYFNHUZBPQ-FQLMCAECSA-N 2 0 326.510 1.254 20 0 EDADRP Cc1nnc(CNCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000892757940 591162762 /nfs/dbraw/zinc/16/27/62/591162762.db2.gz MEUPPYITKRWTOJ-UHFFFAOYSA-N 2 0 332.477 1.543 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)C(C)(C)C[NH+](C)C ZINC000891666487 591175110 /nfs/dbraw/zinc/17/51/10/591175110.db2.gz WKMFWTHHXXQCLO-TUAOUCFPSA-N 2 0 338.418 1.741 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892785108 591176180 /nfs/dbraw/zinc/17/61/80/591176180.db2.gz YAZFKZYNCTTYAL-INIZCTEOSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000891766085 591216649 /nfs/dbraw/zinc/21/66/49/591216649.db2.gz RBJRFMIFWCZUJS-KBXCAEBGSA-N 2 0 328.460 1.651 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccsc2C(=O)OC)CC1 ZINC000892927914 591228396 /nfs/dbraw/zinc/22/83/96/591228396.db2.gz HLPBUDSLZFTMDS-AWEZNQCLSA-N 2 0 339.505 1.898 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000892932137 591229491 /nfs/dbraw/zinc/22/94/91/591229491.db2.gz DDIHUSNMOUFMKA-INIZCTEOSA-N 2 0 338.496 1.354 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000892934033 591229528 /nfs/dbraw/zinc/22/95/28/591229528.db2.gz XTRWSWURAUVNLA-OAHLLOKOSA-N 2 0 326.485 1.352 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[NH2+]C[C@H]2c2cccc(OC)c2)CC1 ZINC000892934855 591229895 /nfs/dbraw/zinc/22/98/95/591229895.db2.gz LBRANXUPMYPJGT-KRWDZBQOSA-N 2 0 346.475 1.965 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)n1 ZINC000894376339 591294782 /nfs/dbraw/zinc/29/47/82/591294782.db2.gz SDZYUUNIAJPEGJ-UHFFFAOYSA-N 2 0 334.464 1.376 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1(F)F ZINC000894413964 591305306 /nfs/dbraw/zinc/30/53/06/591305306.db2.gz IQVDSQIJIAGXJT-JSGCOSHPSA-N 2 0 343.374 1.166 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)[C@@H]1c1ccccc1 ZINC000895989357 591319270 /nfs/dbraw/zinc/31/92/70/591319270.db2.gz AGZVMWAFRGSCDC-RDGPPVDQSA-N 2 0 343.471 1.659 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CC[C@@H]4C[N@@H+](C)C[C@H]43)C2)cc1 ZINC000896144808 591357029 /nfs/dbraw/zinc/35/70/29/591357029.db2.gz ZKXGMTJOYJEGSH-CEXWTWQISA-N 2 0 342.487 1.915 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000898591017 591420722 /nfs/dbraw/zinc/42/07/22/591420722.db2.gz NZEPLEVGOQUYOA-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CCc1onc(C)c1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894894768 591462132 /nfs/dbraw/zinc/46/21/32/591462132.db2.gz NQFJOSONWICPCN-UHFFFAOYSA-N 2 0 336.480 1.432 20 0 EDADRP COCC[N@@H+]1CC[C@H](Nc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)C1 ZINC000894922366 591477867 /nfs/dbraw/zinc/47/78/67/591477867.db2.gz RGVDPOOZRPHSRN-HNNXBMFYSA-N 2 0 348.447 1.003 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNc2cc[nH+]cc2CO)C1 ZINC000895003546 591514392 /nfs/dbraw/zinc/51/43/92/591514392.db2.gz WXKZZYAZQZJHIR-SFHVURJKSA-N 2 0 327.428 1.617 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896607872 591550295 /nfs/dbraw/zinc/55/02/95/591550295.db2.gz APXMBRPRWMZCOB-HUUCEWRRSA-N 2 0 342.553 1.795 20 0 EDADRP Cc1cnc2c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnn2c1 ZINC000896624380 591552775 /nfs/dbraw/zinc/55/27/75/591552775.db2.gz NCIJSQAOGNIZIC-UHFFFAOYSA-N 2 0 346.479 1.383 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)C1 ZINC000896744770 591599853 /nfs/dbraw/zinc/59/98/53/591599853.db2.gz DSRWYCVUBCGSGJ-RHSMWYFYSA-N 2 0 333.480 1.980 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000895408194 591746553 /nfs/dbraw/zinc/74/65/53/591746553.db2.gz QUMXJMWPPHRRCJ-GOSISDBHSA-N 2 0 343.471 1.488 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CC1 ZINC000895418824 591750994 /nfs/dbraw/zinc/75/09/94/591750994.db2.gz ISEDYLGLYRFDBC-BACDZXNISA-N 2 0 338.496 1.100 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)C2C[NH+](C3CCOCC3)C2)[C@H]1c1ccccc1 ZINC000897240778 591782553 /nfs/dbraw/zinc/78/25/53/591782553.db2.gz PTZSMVCWZNOICU-RTBURBONSA-N 2 0 343.471 1.659 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)CC[C@@H]2CCCC[NH+]2C)C[C@@H]1C ZINC000898186627 591827628 /nfs/dbraw/zinc/82/76/28/591827628.db2.gz SIPVROYVILAMQR-BBWFWOEESA-N 2 0 325.497 1.819 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000899926799 591983418 /nfs/dbraw/zinc/98/34/18/591983418.db2.gz KARJQCOLOQISEP-HXUWFJFHSA-N 2 0 345.487 1.614 20 0 EDADRP CN(C)S(=O)(=O)CC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902387335 591989404 /nfs/dbraw/zinc/98/94/04/591989404.db2.gz JOLHPYFEHPEQFB-OAHLLOKOSA-N 2 0 349.447 1.616 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000900373878 592000348 /nfs/dbraw/zinc/00/03/48/592000348.db2.gz ZZBMUFCMJIYTQE-ICSRJNTNSA-N 2 0 345.487 1.470 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000900599168 592064866 /nfs/dbraw/zinc/06/48/66/592064866.db2.gz QHFSTOPYYGFXKH-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP CN(C(=O)[C@H]1CC[N@@H+]1C(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000900642473 592070802 /nfs/dbraw/zinc/07/08/02/592070802.db2.gz GQKABKRWPPQMSB-QGZVFWFLSA-N 2 0 347.507 1.679 20 0 EDADRP CO[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000903107235 592120981 /nfs/dbraw/zinc/12/09/81/592120981.db2.gz OTVXJRCGNWVBPW-HZPDHXFCSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H]1C[NH+](C)CCN1C ZINC000900809936 592131307 /nfs/dbraw/zinc/13/13/07/592131307.db2.gz FPEGVTJTIJLPHB-GDAAHCPNSA-N 2 0 344.503 1.082 20 0 EDADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1C[N@H+](C)CCN1C ZINC000900800709 592142654 /nfs/dbraw/zinc/14/26/54/592142654.db2.gz APRTTYIEJJOWOZ-SZMVWBNQSA-N 2 0 332.492 1.430 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(CO)COCCN1C ZINC000903278824 592150852 /nfs/dbraw/zinc/15/08/52/592150852.db2.gz HPDCMLCHLWDVIR-RLLQIKCJSA-N 2 0 347.503 1.180 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000900888083 592157702 /nfs/dbraw/zinc/15/77/02/592157702.db2.gz YLOOLBGOBOPEBT-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C ZINC000900896269 592160169 /nfs/dbraw/zinc/16/01/69/592160169.db2.gz UWAMUYKRFFOPMV-NSHGMRRFSA-N 2 0 345.487 1.422 20 0 EDADRP C[N@H+](CC(=O)NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC000900898003 592161233 /nfs/dbraw/zinc/16/12/33/592161233.db2.gz DBIGRWBJMLBLHB-LJQANCHMSA-N 2 0 331.460 1.224 20 0 EDADRP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903441838 592172197 /nfs/dbraw/zinc/17/21/97/592172197.db2.gz CBQOJJQFSJTXDD-PWSUYJOCSA-N 2 0 341.253 1.842 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000903492969 592185798 /nfs/dbraw/zinc/18/57/98/592185798.db2.gz SOENTIQDGIOYPW-WRSAYESZSA-N 2 0 349.406 1.367 20 0 EDADRP COC(=O)c1cccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c1 ZINC000903493530 592186148 /nfs/dbraw/zinc/18/61/48/592186148.db2.gz UIMSWFYWGYZNLU-DAYGRLMNSA-N 2 0 332.400 1.186 20 0 EDADRP Cc1ccc(NC(=O)NC(=O)C[N@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c(C)c1 ZINC000903496345 592187752 /nfs/dbraw/zinc/18/77/52/592187752.db2.gz LCVTZXLXNZDYJG-HUUCEWRRSA-N 2 0 332.448 1.868 20 0 EDADRP O=C1CC[C@@H]([NH2+]C[C@@H]2CCC3(CCCC3)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526163 592198414 /nfs/dbraw/zinc/19/84/14/592198414.db2.gz AUSSTLQNLLYKBD-JZXOWHBKSA-N 2 0 335.492 1.715 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906649476 592233948 /nfs/dbraw/zinc/23/39/48/592233948.db2.gz DJKBYFOCSUCCJS-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN([C@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000904340870 592234500 /nfs/dbraw/zinc/23/45/00/592234500.db2.gz MLHQDLSTJHOYFZ-JZXOWHBKSA-N 2 0 328.460 1.147 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)C[C@H]3C[C@@H]([NH3+])C3)C2=O)c1 ZINC000904345514 592235284 /nfs/dbraw/zinc/23/52/84/592235284.db2.gz IZFULQVKWOEUKG-AHIWAGSCSA-N 2 0 333.432 1.478 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906656086 592238453 /nfs/dbraw/zinc/23/84/53/592238453.db2.gz PSTZUNSXJDAUAE-MRXNPFEDSA-N 2 0 346.475 1.762 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@H]1C ZINC000906657099 592238958 /nfs/dbraw/zinc/23/89/58/592238958.db2.gz KEAPJGYWAZCGII-HIFRSBDPSA-N 2 0 332.448 1.415 20 0 EDADRP CCOC1CC(C[NH2+]C[C@@H]([NH3+])CCC(C)(C)C)(N2CCOCC2)C1 ZINC000904368098 592239445 /nfs/dbraw/zinc/23/94/45/592239445.db2.gz HXXTZSXDSFDRTE-MUYFXNHWSA-N 2 0 341.540 2.000 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904371316 592240079 /nfs/dbraw/zinc/24/00/79/592240079.db2.gz MJMLXDBPCUXAGY-IEBWSBKVSA-N 3 0 348.491 1.408 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000906661699 592243505 /nfs/dbraw/zinc/24/35/05/592243505.db2.gz SVSSCJVSUXGFRF-SJORKVTESA-N 2 0 336.524 1.393 20 0 EDADRP Cn1c2ccc(C[NH+]3CCC4(CO[C@H](C[NH3+])C4)CC3)cc2sc1=O ZINC000904393338 592244250 /nfs/dbraw/zinc/24/42/50/592244250.db2.gz QKUZRMHWTCMYSM-AWEZNQCLSA-N 2 0 347.484 1.930 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906663840 592246126 /nfs/dbraw/zinc/24/61/26/592246126.db2.gz IITJZGZPBHGGFY-CYBMUJFWSA-N 2 0 332.448 1.229 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)CC[C@H]1C(F)(F)F ZINC000904380929 592246388 /nfs/dbraw/zinc/24/63/88/592246388.db2.gz QHQBJWBOCOAIQM-TZMCWYRMSA-N 3 0 346.397 1.648 20 0 EDADRP [NH3+][C@]1(CO)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000904402757 592249491 /nfs/dbraw/zinc/24/94/91/592249491.db2.gz ZWRHIJNVOJAROG-LJQANCHMSA-N 2 0 333.476 1.447 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000901157065 592266222 /nfs/dbraw/zinc/26/62/22/592266222.db2.gz KHXJFNOBRQDFLR-WDYCEAGBSA-N 2 0 335.492 1.309 20 0 EDADRP CN1CCn2nc(NC(=O)N3CCCC[C@H]3C3(C[NH3+])CCC3)cc2C1 ZINC000904541409 592284139 /nfs/dbraw/zinc/28/41/39/592284139.db2.gz YKPFXADLBPOYNK-HNNXBMFYSA-N 2 0 346.479 1.844 20 0 EDADRP O=C1C[C@H](c2ccccc2)[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1 ZINC000903723305 592284218 /nfs/dbraw/zinc/28/42/18/592284218.db2.gz UXZFHJPZZUYWHA-QZTJIDSGSA-N 2 0 343.471 1.708 20 0 EDADRP NC(=O)c1ccc(C[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725460 592285256 /nfs/dbraw/zinc/28/52/56/592285256.db2.gz ZVVDJUPHOUVNSX-PKOBYXMFSA-N 2 0 329.444 1.519 20 0 EDADRP CN(CC(=O)Nc1cc(F)cc(F)c1)C[C@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903728559 592286060 /nfs/dbraw/zinc/28/60/60/592286060.db2.gz CCDZOOWXAZLPAL-NVXWUHKLSA-N 2 0 339.386 1.604 20 0 EDADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903732262 592287956 /nfs/dbraw/zinc/28/79/56/592287956.db2.gz DRZYZTGLBMVRDR-VQTJNVASSA-N 2 0 348.487 1.920 20 0 EDADRP O=C1CCCCN1CC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903734485 592297975 /nfs/dbraw/zinc/29/79/75/592297975.db2.gz RMIYCXXHUQUEJE-PKOBYXMFSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1nc(C)n(C[C@@H]2CCC[N@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903739687 592301357 /nfs/dbraw/zinc/30/13/57/592301357.db2.gz OEVCUULWKBRCKE-KURKYZTESA-N 2 0 333.480 1.376 20 0 EDADRP O[C@H](CN1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739638 592301813 /nfs/dbraw/zinc/30/18/13/592301813.db2.gz NFEAXEOERJLDHX-ZCNNSNEGSA-N 2 0 345.487 1.106 20 0 EDADRP c1cc(-c2nc(CC3=[NH+][C@@H]4CCCC[C@@H]4N3)no2)nc2c1CC[NH2+]C2 ZINC000904645878 592302860 /nfs/dbraw/zinc/30/28/60/592302860.db2.gz DVZRYOYZISPWHY-BETUJISGSA-N 2 0 338.415 1.633 20 0 EDADRP CN(CC(F)F)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741411 592303192 /nfs/dbraw/zinc/30/31/92/592303192.db2.gz POKOCMDRZJTDCF-HNNXBMFYSA-N 2 0 331.451 1.806 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C[C@@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741218 592303265 /nfs/dbraw/zinc/30/32/65/592303265.db2.gz ONSRJWFBPJGSGO-MOPGFXCFSA-N 2 0 338.540 1.103 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903742762 592304138 /nfs/dbraw/zinc/30/41/38/592304138.db2.gz ZNVMECSWAUGHLW-ROUUACIJSA-N 3 0 339.524 1.578 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000906722373 592312157 /nfs/dbraw/zinc/31/21/57/592312157.db2.gz STVZRGYCCCMCLL-JKSUJKDBSA-N 2 0 344.459 1.288 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000906722020 592312332 /nfs/dbraw/zinc/31/23/32/592312332.db2.gz PLKFPPXLKWNCPY-ZDUSSCGKSA-N 2 0 332.448 1.493 20 0 EDADRP CCC[C@@H]1CN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC[N@@H+]1CCOC ZINC000903756357 592313485 /nfs/dbraw/zinc/31/34/85/592313485.db2.gz QLOOSKUKOHVLCR-KURKYZTESA-N 2 0 325.497 1.188 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)ccc21 ZINC000906726430 592314897 /nfs/dbraw/zinc/31/48/97/592314897.db2.gz DOPPDHDPRQKHSM-RKTXRCNFSA-N 2 0 342.443 1.183 20 0 EDADRP COC[C@@H](C)OC[C@@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793057 592316090 /nfs/dbraw/zinc/31/60/90/592316090.db2.gz LRBRFMURQVPQNC-AEFFLSMTSA-N 2 0 336.476 1.391 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cnn1C ZINC000903891091 592352696 /nfs/dbraw/zinc/35/26/96/592352696.db2.gz JNZIGQRIRQPLAJ-HKUYNNGSSA-N 2 0 349.523 1.033 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903887035 592364983 /nfs/dbraw/zinc/36/49/83/592364983.db2.gz WVTZSWGACZJAAE-MRXNPFEDSA-N 2 0 334.512 1.756 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@](C)(O)C(F)F)CC1 ZINC000905034505 592372437 /nfs/dbraw/zinc/37/24/37/592372437.db2.gz KLPLPRTWLRDMBP-SFHVURJKSA-N 2 0 341.446 1.930 20 0 EDADRP CC[NH+](CC)CC1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903906237 592373823 /nfs/dbraw/zinc/37/38/23/592373823.db2.gz UDBJTLVSYIFXEJ-QGZVFWFLSA-N 2 0 334.512 1.756 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@@H](c3nccn3C)C2)cnn1C ZINC000903913975 592376108 /nfs/dbraw/zinc/37/61/08/592376108.db2.gz QYDMDMPSDIUQIU-HZPDHXFCSA-N 2 0 330.480 1.459 20 0 EDADRP Cc1cccc2c1C[NH2+]CCN2Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903919008 592376959 /nfs/dbraw/zinc/37/69/59/592376959.db2.gz KJLNIWZQGLRLMX-OAHLLOKOSA-N 2 0 326.448 1.621 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CNc2ccc3c(c2)C[NH2+]CCO3)cnn1C ZINC000903919669 592377584 /nfs/dbraw/zinc/37/75/84/592377584.db2.gz PLCBSIJHGGSMMG-AWEZNQCLSA-N 2 0 329.448 1.440 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+][C@H]2CCCO[C@@H]2c2ccncc2)cnn1C ZINC000903927841 592380789 /nfs/dbraw/zinc/38/07/89/592380789.db2.gz UKQGNOFSIZWVAE-AYOQOUSVSA-N 2 0 343.475 1.751 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C[C@@]1(O)CCOC1 ZINC000905023301 592383629 /nfs/dbraw/zinc/38/36/29/592383629.db2.gz FXCQLLCAOCWTGN-OALUTQOASA-N 2 0 334.460 1.274 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000903933611 592384685 /nfs/dbraw/zinc/38/46/85/592384685.db2.gz SYYIIDOTGPDZLA-BHIYHBOVSA-N 2 0 340.475 1.438 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000903932962 592385156 /nfs/dbraw/zinc/38/51/56/592385156.db2.gz INLYDCZEKIOUIN-NXHRZFHOSA-N 2 0 331.464 1.595 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978209 592399110 /nfs/dbraw/zinc/39/91/10/592399110.db2.gz AAWMYOCQNZBFKP-WCQYABFASA-N 2 0 337.361 1.550 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(c3ccn(C)n3)CC2)cnn1C ZINC000903987358 592406067 /nfs/dbraw/zinc/40/60/67/592406067.db2.gz DEQMJVNQUDLGEZ-HNNXBMFYSA-N 2 0 330.480 1.459 20 0 EDADRP [NH3+][C@H](Cc1nc([C@@H]2CN3CCC[C@H]3CO2)no1)Cc1ccccc1 ZINC000904100008 592425055 /nfs/dbraw/zinc/42/50/55/592425055.db2.gz VDXSVEPNOQTMRO-JYJNAYRXSA-N 2 0 328.416 1.718 20 0 EDADRP C[NH2+]CCOc1ccccc1-c1nc([C@@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000904100477 592425660 /nfs/dbraw/zinc/42/56/60/592425660.db2.gz YYLWVILDOURDTD-BBRMVZONSA-N 2 0 344.415 1.871 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000905140228 592433521 /nfs/dbraw/zinc/43/35/21/592433521.db2.gz UBZUAEUUUDPIIT-LISAXSMJSA-N 2 0 326.481 1.933 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C[C@]1(O)CCOC1 ZINC000905147044 592437663 /nfs/dbraw/zinc/43/76/63/592437663.db2.gz PFNNVYJNYXTYKM-ZWKOTPCHSA-N 2 0 326.481 1.276 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C1(O)CCOCC1 ZINC000905148346 592438352 /nfs/dbraw/zinc/43/83/52/592438352.db2.gz UDWNBLQTPXVHBQ-QGZVFWFLSA-N 2 0 326.481 1.276 20 0 EDADRP O[C@H](C[NH2+]C[C@@H](O)CC1(O)CCCC1)CN1CCc2ccccc2C1 ZINC000905345081 592500655 /nfs/dbraw/zinc/50/06/55/592500655.db2.gz LDFSRMGZQQIQCL-RBUKOAKNSA-N 2 0 348.487 1.051 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905333011 592508387 /nfs/dbraw/zinc/50/83/87/592508387.db2.gz TUAVVZLJMQBSRH-UHFFFAOYSA-N 2 0 333.542 1.616 20 0 EDADRP COc1ccc(C2CC2)cc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905425232 592531556 /nfs/dbraw/zinc/53/15/56/592531556.db2.gz OAXIJEMISYCBDA-SFHVURJKSA-N 2 0 333.476 1.271 20 0 EDADRP O[C@H](CNc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C[NH+]1CCCC1 ZINC000905438526 592534917 /nfs/dbraw/zinc/53/49/17/592534917.db2.gz LFCCRRDNIIDEKI-VQTJNVASSA-N 2 0 344.503 1.840 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000905504801 592546891 /nfs/dbraw/zinc/54/68/91/592546891.db2.gz YGJIVLORWBNZDN-FVVUREQNSA-N 2 0 342.524 1.623 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)c2cc([C@H]3CCCN3C)[nH]n2)CC1 ZINC000908612601 592561667 /nfs/dbraw/zinc/56/16/67/592561667.db2.gz KTYHFHHXFUVBCD-MRXNPFEDSA-N 2 0 349.479 1.142 20 0 EDADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N(CC)C2CC[NH+](C)CC2)C1 ZINC000908915488 592659329 /nfs/dbraw/zinc/65/93/29/592659329.db2.gz AURBZXDGYVMHKZ-OAHLLOKOSA-N 2 0 339.480 1.204 20 0 EDADRP Cc1cccc([C@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000905930135 592686593 /nfs/dbraw/zinc/68/65/93/592686593.db2.gz RCJKWMBMQIGZQR-LJQANCHMSA-N 2 0 340.471 1.965 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906223685 592761706 /nfs/dbraw/zinc/76/17/06/592761706.db2.gz VIGPNHCTBDRXBA-IAGOWNOFSA-N 2 0 345.491 1.437 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)N2CCC[C@H]([NH+](C)C)CC2)C1 ZINC000907745471 592769067 /nfs/dbraw/zinc/76/90/67/592769067.db2.gz ZAYITXVZZFEEBM-HOTGVXAUSA-N 2 0 339.480 1.204 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000907862340 592819361 /nfs/dbraw/zinc/81/93/61/592819361.db2.gz RAMRLMVDZQWPEL-AZUAARDMSA-N 2 0 345.487 1.472 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCC2 ZINC000906490394 592831094 /nfs/dbraw/zinc/83/10/94/592831094.db2.gz YNIPNDGZPLURLK-HNNXBMFYSA-N 2 0 347.507 1.397 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccn1CCN1CCOCC1 ZINC000906644416 592865369 /nfs/dbraw/zinc/86/53/69/592865369.db2.gz NOTANYMNJUHKJG-KRWDZBQOSA-N 2 0 348.491 1.425 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906645772 592865777 /nfs/dbraw/zinc/86/57/77/592865777.db2.gz NAIXQMSMHNCTQP-OAHLLOKOSA-N 2 0 346.475 1.712 20 0 EDADRP CCN(CCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1 ZINC000911022997 592908858 /nfs/dbraw/zinc/90/88/58/592908858.db2.gz RMXQZSXCYFJLMK-CVEARBPZSA-N 2 0 346.475 1.263 20 0 EDADRP O=C([C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911635637 592971684 /nfs/dbraw/zinc/97/16/84/592971684.db2.gz KPMPAAMIWDPDIZ-SQNIBIBYSA-N 2 0 329.444 1.240 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc2n1CC[NH2+][C@H]2C ZINC000911664190 592973317 /nfs/dbraw/zinc/97/33/17/592973317.db2.gz IXPWTOLKWPZDJH-JSGCOSHPSA-N 2 0 328.416 1.591 20 0 EDADRP C[C@H](NC(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2)[C@@H]1CCC[NH2+]C1 ZINC000911725646 592989068 /nfs/dbraw/zinc/98/90/68/592989068.db2.gz OAEQEOZABMTSFT-GLQYFDAESA-N 2 0 330.432 1.017 20 0 EDADRP CCCN(C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2)[C@@H]1CC[NH2+]C1 ZINC000911769396 593001330 /nfs/dbraw/zinc/00/13/30/593001330.db2.gz VPCOGOYEUWCIDP-HUUCEWRRSA-N 2 0 330.432 1.113 20 0 EDADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000911846085 593025461 /nfs/dbraw/zinc/02/54/61/593025461.db2.gz LJBHTTGLPYQYJG-FQEVSTJZSA-N 2 0 343.471 1.786 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@H]2CCCCC23CC[NH2+]CC3)CC1 ZINC000911874960 593029227 /nfs/dbraw/zinc/02/92/27/593029227.db2.gz GDKHNOWUDISAMP-QGZVFWFLSA-N 2 0 337.508 1.903 20 0 EDADRP C[NH+]1CCC(N(CCO)C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000911941363 593040357 /nfs/dbraw/zinc/04/03/57/593040357.db2.gz OLIQGCBFIZTNMA-UHFFFAOYSA-N 2 0 345.487 1.350 20 0 EDADRP CCN(C)C(=O)OC[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000805763182 593140362 /nfs/dbraw/zinc/14/03/62/593140362.db2.gz QLKVGSMREZCKOI-CVEARBPZSA-N 2 0 327.469 1.386 20 0 EDADRP CC(C)[C@@H]1N(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)C(=O)[C@@]12CCCO2 ZINC000840025442 593388217 /nfs/dbraw/zinc/38/82/17/593388217.db2.gz CGYXEJFWDDQQFZ-MJQMVNBJSA-N 2 0 335.492 1.776 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000817778669 593631225 /nfs/dbraw/zinc/63/12/25/593631225.db2.gz TZNSRUHHKCZYEC-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817897819 593646588 /nfs/dbraw/zinc/64/65/88/593646588.db2.gz BOEVPGWXHZQDSY-CMPLNLGQSA-N 2 0 343.415 1.278 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000817901004 593646937 /nfs/dbraw/zinc/64/69/37/593646937.db2.gz YINMKNGUQORRNM-CMPLNLGQSA-N 2 0 343.415 1.421 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817944416 593650939 /nfs/dbraw/zinc/65/09/39/593650939.db2.gz BJTIOSQFDJTDBJ-SNVBAGLBSA-N 2 0 331.233 1.539 20 0 EDADRP CON(C)C(=O)CC[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000818955074 593730203 /nfs/dbraw/zinc/73/02/03/593730203.db2.gz HOSSAPVWVXGMGW-UHFFFAOYSA-N 2 0 348.491 1.194 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819175239 593742784 /nfs/dbraw/zinc/74/27/84/593742784.db2.gz VABJNFSGAIXLKM-RCCFBDPRSA-N 2 0 340.414 1.966 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)c1ccccc1Br ZINC000819211052 593744422 /nfs/dbraw/zinc/74/44/22/593744422.db2.gz QGZZWHXMNVPMLG-CQSZACIVSA-N 2 0 331.254 1.650 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)c2c(F)cccc2F)CC1 ZINC000819387602 593753035 /nfs/dbraw/zinc/75/30/35/593753035.db2.gz BXTXLADZXPZEKP-MRXNPFEDSA-N 2 0 327.419 1.614 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820133381 593794005 /nfs/dbraw/zinc/79/40/05/593794005.db2.gz QCIBIBHNNCTXJF-UHFFFAOYSA-N 2 0 330.436 1.192 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCCOc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000821583452 593869091 /nfs/dbraw/zinc/86/90/91/593869091.db2.gz WAIZZHKDTDWETA-UHFFFAOYSA-N 2 0 344.463 1.909 20 0 EDADRP COCc1nc2n(n1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C1CC1)CC2 ZINC000820823814 593898106 /nfs/dbraw/zinc/89/81/06/593898106.db2.gz PKESPQMYSJWCGJ-WPXLMEDKSA-N 2 0 331.464 1.487 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NOCC1CCC1 ZINC000824062049 593921253 /nfs/dbraw/zinc/92/12/53/593921253.db2.gz PCAHFNFDNFJHTL-INIZCTEOSA-N 2 0 326.485 1.776 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000821917228 593965163 /nfs/dbraw/zinc/96/51/63/593965163.db2.gz BIUVXFQYARMPLZ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4C[C@]45CC[NH2+]C5)n3)c2)CC1 ZINC000822980898 594131634 /nfs/dbraw/zinc/13/16/34/594131634.db2.gz QHIZQIJXKKAPEK-KSSFIOAISA-N 2 0 340.431 1.350 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ncccn1 ZINC000822987087 594132076 /nfs/dbraw/zinc/13/20/76/594132076.db2.gz LPTGBXVHZWEUQY-OAHLLOKOSA-N 2 0 334.468 1.034 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459707 594188651 /nfs/dbraw/zinc/18/86/51/594188651.db2.gz MANYNOCBDKHSLB-LSDHHAIUSA-N 2 0 343.479 1.543 20 0 EDADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(O)c1 ZINC000827892487 594298840 /nfs/dbraw/zinc/29/88/40/594298840.db2.gz LLXRKSMBXZDRHX-USXIJHARSA-N 2 0 333.476 1.694 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CC[C@@H](C3CC3)O2)C[C@H]1C[NH+](C)C ZINC000827892817 594299158 /nfs/dbraw/zinc/29/91/58/594299158.db2.gz USJYPGURYRCCGA-BDXSIMOUSA-N 2 0 337.508 1.532 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956266 594537221 /nfs/dbraw/zinc/53/72/21/594537221.db2.gz LFDBPAIRTLJMNQ-KGLIPLIRSA-N 2 0 340.855 1.270 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831281689 594598713 /nfs/dbraw/zinc/59/87/13/594598713.db2.gz WHTVSLWUKMALER-UHFFFAOYSA-N 2 0 335.452 1.441 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000831411518 594626031 /nfs/dbraw/zinc/62/60/31/594626031.db2.gz BUKCAJSSOOHMIC-MRXNPFEDSA-N 2 0 325.403 1.982 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1(C)C ZINC000832638897 594766008 /nfs/dbraw/zinc/76/60/08/594766008.db2.gz BFAFKPPXDVJFJJ-LSDHHAIUSA-N 2 0 341.496 1.821 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]([NH3+])C3CC3)cc2)CC1 ZINC000841017981 594839644 /nfs/dbraw/zinc/83/96/44/594839644.db2.gz NAKDTYIHEHZANY-KRWDZBQOSA-N 2 0 331.464 1.687 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841791019 594953130 /nfs/dbraw/zinc/95/31/30/594953130.db2.gz LRNQGFNDGAXGQU-IRXDYDNUSA-N 2 0 338.496 1.461 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846013 594964065 /nfs/dbraw/zinc/96/40/65/594964065.db2.gz DJEIHKIQACUAEK-RHSMWYFYSA-N 2 0 345.443 1.924 20 0 EDADRP [NH3+]Cc1cc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)co1 ZINC000841847404 594964887 /nfs/dbraw/zinc/96/48/87/594964887.db2.gz WTWPTCGBOGXVGZ-CYBMUJFWSA-N 2 0 343.383 1.899 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000843283537 595061626 /nfs/dbraw/zinc/06/16/26/595061626.db2.gz AIBLXVLHVVHNQU-UHFFFAOYSA-N 2 0 342.553 1.245 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000843491075 595128420 /nfs/dbraw/zinc/12/84/20/595128420.db2.gz IRGIYFRXOGTVEI-CRAIPNDOSA-N 2 0 346.475 1.492 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000846137778 595154709 /nfs/dbraw/zinc/15/47/09/595154709.db2.gz QEFJWWIWHRFJMB-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]CCCCCC[NH+]1CCN(CC(=O)NCc2ccccc2)CC1 ZINC000846219914 595177493 /nfs/dbraw/zinc/17/74/93/595177493.db2.gz BZBMOLVJOSMRGK-UHFFFAOYSA-N 2 0 332.492 1.440 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000837768924 595190640 /nfs/dbraw/zinc/19/06/40/595190640.db2.gz XDHIAMCGQHKBPJ-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C[C@@H]([NH3+])C2CC2)c1 ZINC000844169939 595290434 /nfs/dbraw/zinc/29/04/34/595290434.db2.gz VHUFEYCOQRGQPY-QGZVFWFLSA-N 2 0 346.475 1.824 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000844178206 595293494 /nfs/dbraw/zinc/29/34/94/595293494.db2.gz WJJLBYPRVBLAAT-RTBURBONSA-N 2 0 345.487 1.926 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000844181556 595294352 /nfs/dbraw/zinc/29/43/52/595294352.db2.gz ROCVSTJWPUYYCP-QZTJIDSGSA-N 2 0 337.508 1.870 20 0 EDADRP CC[NH2+]CC(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000844190195 595297910 /nfs/dbraw/zinc/29/79/10/595297910.db2.gz FWLSEDZQAHTMHY-UHFFFAOYSA-N 2 0 338.883 1.578 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)nn1 ZINC000844199186 595300819 /nfs/dbraw/zinc/30/08/19/595300819.db2.gz VJPKDQLZSAUART-MRXNPFEDSA-N 2 0 334.468 1.166 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC000846689156 595302334 /nfs/dbraw/zinc/30/23/34/595302334.db2.gz YSUYQLUBQDEKBW-KZNAEPCWSA-N 2 0 337.508 1.997 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000848024184 595305996 /nfs/dbraw/zinc/30/59/96/595305996.db2.gz FPJPBMNQVPTOCX-WMLDXEAASA-N 2 0 331.476 1.408 20 0 EDADRP CCN1C[C@@H](C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)OC1=O ZINC000846836612 595324223 /nfs/dbraw/zinc/32/42/23/595324223.db2.gz GWADOPKPFNAJFL-QGZVFWFLSA-N 2 0 338.496 1.318 20 0 EDADRP Cn1ccnc1[C@H]1CC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000846838127 595324622 /nfs/dbraw/zinc/32/46/22/595324622.db2.gz LZOGLZJCKHWCGF-UONOGXRCSA-N 2 0 338.452 1.485 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(CC[NH2+]C4CC4)n3)cn2)CC1 ZINC000848626393 595418937 /nfs/dbraw/zinc/41/89/37/595418937.db2.gz RCLJVXOPHMPCAR-UHFFFAOYSA-N 2 0 342.447 1.568 20 0 EDADRP Cc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C ZINC000849072874 595478473 /nfs/dbraw/zinc/47/84/73/595478473.db2.gz OHYFNCATQURUBL-HNNXBMFYSA-N 2 0 331.464 1.827 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849085137 595480036 /nfs/dbraw/zinc/48/00/36/595480036.db2.gz ZBHANFCRDACBKW-CQSZACIVSA-N 3 0 327.542 1.412 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCCc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000849095493 595480913 /nfs/dbraw/zinc/48/09/13/595480913.db2.gz AKJQJZKOIQBAQG-HNNXBMFYSA-N 2 0 334.464 1.415 20 0 EDADRP CC[NH+](CC)CCCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849485921 595547558 /nfs/dbraw/zinc/54/75/58/595547558.db2.gz YXEJOLZWKSLLSI-SJORKVTESA-N 2 0 335.496 1.304 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCC2)cn1 ZINC000849501591 595553101 /nfs/dbraw/zinc/55/31/01/595553101.db2.gz WXHNAFRVJSHIBM-IRXDYDNUSA-N 2 0 333.480 1.058 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849540973 595559599 /nfs/dbraw/zinc/55/95/99/595559599.db2.gz KLPZJIWGGLVARR-MSOLQXFVSA-N 2 0 349.523 1.694 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cc2c(s1)CC[NH2+]C2 ZINC000852857648 595578590 /nfs/dbraw/zinc/57/85/90/595578590.db2.gz AFGMWBQCLWVKJC-OAHLLOKOSA-N 2 0 349.500 1.767 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852857979 595579115 /nfs/dbraw/zinc/57/91/15/595579115.db2.gz LNNONKDVUJXINH-RHSMWYFYSA-N 2 0 344.459 1.638 20 0 EDADRP Cc1cc(NC(=O)C2=NO[C@@H](C[NH3+])C2)ccc1OCC[NH+]1CCCC1 ZINC000852870923 595590498 /nfs/dbraw/zinc/59/04/98/595590498.db2.gz IOHPVJFKGKIODT-OAHLLOKOSA-N 2 0 346.431 1.512 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC[C@@H](C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849606801 595593454 /nfs/dbraw/zinc/59/34/54/595593454.db2.gz CRCOPMYQOALCTH-BPQIPLTHSA-N 2 0 349.523 1.690 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=S)NCC(C)(C)C[NH+](C)C)CCO1 ZINC000853051186 595650186 /nfs/dbraw/zinc/65/01/86/595650186.db2.gz BELRNBGMNOSOBQ-OAHLLOKOSA-N 2 0 344.569 1.491 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C[C@H](O)c2cccc(F)c2)CC1 ZINC000109754839 595721694 /nfs/dbraw/zinc/72/16/94/595721694.db2.gz DMNQEOVAPGRQGF-OALUTQOASA-N 2 0 335.467 1.961 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ncc(C2OCCO2)s1 ZINC000850353436 595815870 /nfs/dbraw/zinc/81/58/70/595815870.db2.gz CQYFYMHAEBDNDY-ZDUSSCGKSA-N 2 0 342.509 1.550 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000851677262 595880969 /nfs/dbraw/zinc/88/09/69/595880969.db2.gz RZFRGOGQCVGOPS-WMZOPIPTSA-N 2 0 336.480 1.025 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)C[C@H](C)[NH3+])cc1 ZINC000861650091 596057395 /nfs/dbraw/zinc/05/73/95/596057395.db2.gz ZRLLEHVDPIOTAP-JQFCIGGWSA-N 2 0 334.464 1.519 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857163524 596172945 /nfs/dbraw/zinc/17/29/45/596172945.db2.gz ZVQFABVSDCDVDY-PKOBYXMFSA-N 2 0 333.476 1.538 20 0 EDADRP Cn1nnnc1CC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000866663931 596284576 /nfs/dbraw/zinc/28/45/76/596284576.db2.gz PASKLSZAABRKGR-IAGOWNOFSA-N 2 0 328.464 1.425 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2ccc(C[NH+](C)C)cc2OC)CC1 ZINC000868813705 596315409 /nfs/dbraw/zinc/31/54/09/596315409.db2.gz APRMEBJFEUMQGM-UHFFFAOYSA-N 2 0 348.491 1.723 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870945007 596415047 /nfs/dbraw/zinc/41/50/47/596415047.db2.gz MXOAFFQFWZZBAF-WQAKAFBOSA-N 2 0 326.238 1.693 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000867590389 596448971 /nfs/dbraw/zinc/44/89/71/596448971.db2.gz ZDTAERUILLLEIS-IAGOWNOFSA-N 2 0 339.505 1.188 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cccnc2Br)CC1 ZINC000865411775 596566722 /nfs/dbraw/zinc/56/67/22/596566722.db2.gz DOUXTIOHEIABAE-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP COc1ncc(Br)cc1C[NH2+]CCOCC[NH+](C)C ZINC000865531481 596602243 /nfs/dbraw/zinc/60/22/43/596602243.db2.gz XVUZQUZBAXKMNT-UHFFFAOYSA-N 2 0 332.242 1.521 20 0 EDADRP C[C@]1(C[N@@H+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)CC[NH2+]C1 ZINC000863654280 596645128 /nfs/dbraw/zinc/64/51/28/596645128.db2.gz VSGFMXZOZGDSBD-HAFSJTIUSA-N 2 0 345.409 1.717 20 0 EDADRP c1cnn(C2(c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)CC[NH2+]CC2)c1 ZINC000871796704 596701772 /nfs/dbraw/zinc/70/17/72/596701772.db2.gz HMPZQOFZGBEOPY-AGUYFDCRSA-N 2 0 328.420 1.391 20 0 EDADRP Cc1ncccc1/C=C/C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017289 596709636 /nfs/dbraw/zinc/70/96/36/596709636.db2.gz LTXXCXAZJAAVAW-RKQNLGICSA-N 2 0 330.476 1.601 20 0 EDADRP COc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870017644 596709646 /nfs/dbraw/zinc/70/96/46/596709646.db2.gz PIEAYRUUQWRTPL-HZPDHXFCSA-N 2 0 333.476 1.815 20 0 EDADRP Cc1ccn([C@@H](C)CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870017984 596710177 /nfs/dbraw/zinc/71/01/77/596710177.db2.gz WCFLINRDDSFTKJ-GVDBMIGSSA-N 2 0 335.496 1.340 20 0 EDADRP C/C(=C/c1ccncc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018223 596710190 /nfs/dbraw/zinc/71/01/90/596710190.db2.gz XPSXDCAGGNXQMM-TXTZYTMVSA-N 2 0 330.476 1.683 20 0 EDADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C(C)(C)C ZINC000870022895 596713296 /nfs/dbraw/zinc/71/32/96/596713296.db2.gz CRHJDPPNTFQDNV-HZPDHXFCSA-N 2 0 349.523 1.758 20 0 EDADRP C[NH2+]C1(CNC(=O)[C@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCC1 ZINC000863921609 596717087 /nfs/dbraw/zinc/71/70/87/596717087.db2.gz IWZJMFQSIIENPB-ZDUSSCGKSA-N 2 0 342.484 1.090 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+](C)C ZINC000868225894 596734950 /nfs/dbraw/zinc/73/49/50/596734950.db2.gz WQHDWHGAXKLPGE-IXDOHACOSA-N 2 0 346.475 1.532 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868228685 596735955 /nfs/dbraw/zinc/73/59/55/596735955.db2.gz HBISRBPHSZDPGK-OWCLPIDISA-N 2 0 330.432 1.040 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000868229548 596735968 /nfs/dbraw/zinc/73/59/68/596735968.db2.gz OJWKGYVXTMSPRK-YESZJQIVSA-N 2 0 342.443 1.040 20 0 EDADRP CCOC(=O)c1csc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011015 596756898 /nfs/dbraw/zinc/75/68/98/596756898.db2.gz SJLBMQPBAWPIRJ-CHWSQXEVSA-N 2 0 340.493 1.495 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000872145936 596810488 /nfs/dbraw/zinc/81/04/88/596810488.db2.gz ZPKPZAYCUJPUCV-SQNIBIBYSA-N 2 0 338.492 1.790 20 0 EDADRP CCC(CC)(C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)C(F)(F)F ZINC000872226680 596844575 /nfs/dbraw/zinc/84/45/75/596844575.db2.gz RQYSKPDSAOGXFO-CYBMUJFWSA-N 2 0 325.419 1.553 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000864409333 596885813 /nfs/dbraw/zinc/88/58/13/596885813.db2.gz UTPFVAHOWLRDRC-HZPDHXFCSA-N 2 0 346.475 1.131 20 0 EDADRP COC(C)(C)CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876078971 597082174 /nfs/dbraw/zinc/08/21/74/597082174.db2.gz AXHUFFJKHLBGIQ-MRXNPFEDSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CCC1)[C@@H]1CCOC1 ZINC000876098238 597089015 /nfs/dbraw/zinc/08/90/15/597089015.db2.gz NLSPPECNRSOTLW-IAGOWNOFSA-N 2 0 340.512 1.326 20 0 EDADRP COCC(C)(C)CCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000876325949 597169561 /nfs/dbraw/zinc/16/95/61/597169561.db2.gz ZTZOWYUKZPJBTC-UHFFFAOYSA-N 2 0 342.528 1.717 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@H]4[C@@H]3CCC[N@@H+]4C)n2)CC1 ZINC000874835133 597191821 /nfs/dbraw/zinc/19/18/21/597191821.db2.gz XDXQBPZGIXOPCL-IRXDYDNUSA-N 2 0 343.475 1.142 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000873107573 597197747 /nfs/dbraw/zinc/19/77/47/597197747.db2.gz VATILPCDPPBXHL-HNAYVOBHSA-N 2 0 344.459 1.063 20 0 EDADRP CCOC1CC2(C[C@@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000876434693 597204704 /nfs/dbraw/zinc/20/47/04/597204704.db2.gz RBZVQFKCQFUPPX-CKDBGZEDSA-N 2 0 326.485 1.079 20 0 EDADRP COCCO[C@@H]1C[C@H](CO)C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210308 597228762 /nfs/dbraw/zinc/22/87/62/597228762.db2.gz BPULGIQUHFQDMF-DZGCQCFKSA-N 2 0 340.489 1.240 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000873224161 597231985 /nfs/dbraw/zinc/23/19/85/597231985.db2.gz YJIKYPRTEJHXBZ-GOSISDBHSA-N 3 0 338.540 1.484 20 0 EDADRP O=S(=O)(c1ccccc1)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000873248734 597239484 /nfs/dbraw/zinc/23/94/84/597239484.db2.gz HXAPTACPXVIJKG-QXUSFIETSA-N 2 0 334.485 1.969 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873250542 597240045 /nfs/dbraw/zinc/24/00/45/597240045.db2.gz IAHSDEJRDTZHLJ-NRSFXHEJSA-N 2 0 347.459 1.739 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000873266098 597243218 /nfs/dbraw/zinc/24/32/18/597243218.db2.gz LOLGSGYUKNVABB-RTBURBONSA-N 2 0 335.492 1.539 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC[C@H]2CCOC2=O)CC[NH2+]CC1 ZINC000873281809 597247554 /nfs/dbraw/zinc/24/75/54/597247554.db2.gz BWMIHLBZWFPQMD-KBPBESRZSA-N 2 0 326.437 1.241 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000873332798 597259386 /nfs/dbraw/zinc/25/93/86/597259386.db2.gz MLKBLVPVQRNGCA-LBPRGKRZSA-N 2 0 336.402 1.926 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000876708449 597297242 /nfs/dbraw/zinc/29/72/42/597297242.db2.gz QKUBTNGPUFLUPF-INIZCTEOSA-N 2 0 335.496 1.965 20 0 EDADRP CCc1ccc([C@H](CNC(=O)c2c(C[NH3+])cnn2C)[NH+](C)C)cc1 ZINC000876709510 597297440 /nfs/dbraw/zinc/29/74/40/597297440.db2.gz SYEGWTJFJHNWET-INIZCTEOSA-N 2 0 329.448 1.474 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876711663 597298495 /nfs/dbraw/zinc/29/84/95/597298495.db2.gz AZCKRQKVYKGVGY-GJZGRUSLSA-N 2 0 325.403 1.985 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876719337 597302922 /nfs/dbraw/zinc/30/29/22/597302922.db2.gz IWGDYIVCDCZUJE-QAPCUYQASA-N 2 0 332.492 1.424 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000876719199 597303497 /nfs/dbraw/zinc/30/34/97/597303497.db2.gz FZIMJOWGTLHUMU-FPZRGXOSSA-N 2 0 331.460 1.655 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C[NH2+]CCO1 ZINC000876719684 597303538 /nfs/dbraw/zinc/30/35/38/597303538.db2.gz SEYRSHXEDJZBIZ-LJQANCHMSA-N 2 0 349.475 1.148 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C[NH2+]CCO1 ZINC000876735042 597313189 /nfs/dbraw/zinc/31/31/89/597313189.db2.gz CJUGPWKZSYBZSC-LJQANCHMSA-N 2 0 347.459 1.268 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C[NH2+]CCO1 ZINC000876735041 597313469 /nfs/dbraw/zinc/31/34/69/597313469.db2.gz CJUGPWKZSYBZSC-IBGZPJMESA-N 2 0 347.459 1.268 20 0 EDADRP CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000876737695 597315002 /nfs/dbraw/zinc/31/50/02/597315002.db2.gz VUHTZOIDDIIPQT-SZMVWBNQSA-N 2 0 332.492 1.559 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000876742374 597317588 /nfs/dbraw/zinc/31/75/88/597317588.db2.gz XKTFDNPYFCVWBW-KBXIAJHMSA-N 2 0 329.435 1.939 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1sc(C2CC[NH2+]CC2)nc1C ZINC000876745866 597319244 /nfs/dbraw/zinc/31/92/44/597319244.db2.gz RJDOOZKHBWTJOX-UHFFFAOYSA-N 2 0 340.493 1.227 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000876750696 597321249 /nfs/dbraw/zinc/32/12/49/597321249.db2.gz RBRGWQQKLASTMG-JKSUJKDBSA-N 2 0 331.464 1.426 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000876753522 597322704 /nfs/dbraw/zinc/32/27/04/597322704.db2.gz LTBVZTVXEOPRBD-SJLPKXTDSA-N 2 0 335.448 1.357 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000876768749 597331858 /nfs/dbraw/zinc/33/18/58/597331858.db2.gz MEZDEFWJVNGJIB-DSCOKBBTSA-N 2 0 327.472 1.614 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H](F)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000876780312 597337581 /nfs/dbraw/zinc/33/75/81/597337581.db2.gz UKKZYNPQDFESNZ-PBHICJAKSA-N 2 0 334.439 1.715 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000876856857 597361143 /nfs/dbraw/zinc/36/11/43/597361143.db2.gz JTNBWSIGGATZPS-ZIAGYGMSSA-N 2 0 334.489 1.743 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876898529 597376527 /nfs/dbraw/zinc/37/65/27/597376527.db2.gz SKXUTJAITMFOJA-FRFSOERESA-N 2 0 334.439 1.671 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)c2csc(C3CC[NH2+]CC3)n2)cc1 ZINC000876938445 597390412 /nfs/dbraw/zinc/39/04/12/597390412.db2.gz FUGRJQILVBKCHO-UHFFFAOYSA-N 2 0 330.457 1.999 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000876961703 597398189 /nfs/dbraw/zinc/39/81/89/597398189.db2.gz VYSFUKDHWAWMGQ-GVDBMIGSSA-N 2 0 331.460 1.243 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876967667 597400678 /nfs/dbraw/zinc/40/06/78/597400678.db2.gz KHWIZRRCIASHOH-KZNAEPCWSA-N 2 0 333.451 1.709 20 0 EDADRP CC(C)(C)OC(=O)NCC(C)(C)C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000876966343 597400933 /nfs/dbraw/zinc/40/09/33/597400933.db2.gz QEQLVCUMEQMFFF-UHFFFAOYSA-N 2 0 343.512 1.974 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@]2(C)CCCS2)C[C@H]1C[NH+](C)C ZINC000875371717 597404655 /nfs/dbraw/zinc/40/46/55/597404655.db2.gz JQDGRWVJRISBDR-BFYDXBDKSA-N 2 0 342.553 1.653 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC3CCC2CC3)C[C@H]1C[NH+](C)C ZINC000875393956 597411654 /nfs/dbraw/zinc/41/16/54/597411654.db2.gz ZBUQGHMQQFVTNS-NHHFINERSA-N 2 0 336.524 1.946 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc(Cl)n1 ZINC000877146626 597442519 /nfs/dbraw/zinc/44/25/19/597442519.db2.gz WSMGISNCSWWDMC-CABCVRRESA-N 2 0 336.867 1.986 20 0 EDADRP O=C(C[C@@H]1Cc2ccccc2O1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199592 597459759 /nfs/dbraw/zinc/45/97/59/597459759.db2.gz WYAQZAMXWOSEJI-INIZCTEOSA-N 2 0 338.411 1.824 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)c3ccc4c(c3)C[NH2+]C4)C[C@H]2[NH3+])cc1 ZINC000877238132 597474531 /nfs/dbraw/zinc/47/45/31/597474531.db2.gz YPVPZRLWNDRMNR-RBUKOAKNSA-N 2 0 337.423 1.865 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000877250295 597479644 /nfs/dbraw/zinc/47/96/44/597479644.db2.gz OOQQFSBWHJTDBW-XHSDSOJGSA-N 2 0 331.464 1.282 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)cc2)CC1 ZINC000877283743 597486550 /nfs/dbraw/zinc/48/65/50/597486550.db2.gz QPASUKAAKRMQPV-RBUKOAKNSA-N 2 0 342.487 1.401 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C1(C)C ZINC000877361469 597501317 /nfs/dbraw/zinc/50/13/17/597501317.db2.gz UOOVRNLISOXAGX-BIAAXOCRSA-N 2 0 337.386 1.115 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)c2)CC1 ZINC000877393161 597508564 /nfs/dbraw/zinc/50/85/64/597508564.db2.gz WFMADNMWUMXPRZ-AZUAARDMSA-N 2 0 342.487 1.448 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451908 597517305 /nfs/dbraw/zinc/51/73/05/597517305.db2.gz MUBQWTFISYRRHJ-XJKSGUPXSA-N 2 0 345.491 1.815 20 0 EDADRP O=CN1CCC[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)CC1 ZINC000877642348 597543691 /nfs/dbraw/zinc/54/36/91/597543691.db2.gz VILLAMDCSADKMH-UHFFFAOYSA-N 2 0 347.459 1.062 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCOCC2)CC1 ZINC000878364145 597597759 /nfs/dbraw/zinc/59/77/59/597597759.db2.gz CXIPTCQBVNRTDL-FQEVSTJZSA-N 2 0 345.487 1.954 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000878376235 597598462 /nfs/dbraw/zinc/59/84/62/597598462.db2.gz OFZJZIZPSQTPBW-UHFFFAOYSA-N 2 0 331.416 1.204 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000883105505 597651738 /nfs/dbraw/zinc/65/17/38/597651738.db2.gz MBJYBJPWYZYHBW-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(OC)c(OC)c1 ZINC000878602843 597651762 /nfs/dbraw/zinc/65/17/62/597651762.db2.gz IUPWTMOHZTYFKN-INIZCTEOSA-N 2 0 349.475 1.955 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH+]1CCC(C(C)(C)O)CC1)c1ccccc1 ZINC000879628422 597664516 /nfs/dbraw/zinc/66/45/16/597664516.db2.gz RWAIEPUZRCXGGK-GOSISDBHSA-N 2 0 347.503 1.888 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCN1c1cc[nH+]cc1 ZINC000883149371 597667979 /nfs/dbraw/zinc/66/79/79/597667979.db2.gz YHWQHIWBUYPOCB-KBAYOESNSA-N 2 0 343.475 1.929 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccnn1C ZINC000879686720 597686036 /nfs/dbraw/zinc/68/60/36/597686036.db2.gz HVMKSEYYJIUWEH-YOEHRIQHSA-N 2 0 329.448 1.490 20 0 EDADRP COC(=O)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000888895253 597693548 /nfs/dbraw/zinc/69/35/48/597693548.db2.gz AFBOSDSBYVFUGY-UHFFFAOYSA-N 2 0 342.465 1.492 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C(F)(F)C(F)(F)F ZINC000883368394 597725521 /nfs/dbraw/zinc/72/55/21/597725521.db2.gz PEEVPEQWUGNNGN-NSHDSACASA-N 2 0 336.264 1.915 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)CC1 ZINC000878864027 597738388 /nfs/dbraw/zinc/73/83/88/597738388.db2.gz NFNNAZMDHDIEQV-KRWDZBQOSA-N 2 0 341.496 1.680 20 0 EDADRP F[C@@H]1C[NH2+][C@H](CN2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000883435988 597745574 /nfs/dbraw/zinc/74/55/74/597745574.db2.gz HWPWQVIRVBXXMC-HOTGVXAUSA-N 2 0 335.471 1.756 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)N[C@H]1CC[NH2+]C1 ZINC000883585582 597813632 /nfs/dbraw/zinc/81/36/32/597813632.db2.gz RHDSKEHMXDQRHE-RDJZCZTQSA-N 2 0 329.448 1.454 20 0 EDADRP [NH3+]C[C@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883586621 597815094 /nfs/dbraw/zinc/81/50/94/597815094.db2.gz OXRIGQMHOLDHNI-MSOLQXFVSA-N 2 0 343.475 1.830 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883587041 597815534 /nfs/dbraw/zinc/81/55/34/597815534.db2.gz YRTMRFKDCPXNGC-AEFFLSMTSA-N 2 0 343.475 1.845 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883766944 597893162 /nfs/dbraw/zinc/89/31/62/597893162.db2.gz MMMPJRGIJRMYIK-BHYGNILZSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)[C@H]2CCCCO2)CC1 ZINC000879410552 597910265 /nfs/dbraw/zinc/91/02/65/597910265.db2.gz WUIFRLUXQGZDBR-MRXNPFEDSA-N 2 0 325.497 1.913 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CC[NH+](C2CCCC2)CC1 ZINC000884184955 598017898 /nfs/dbraw/zinc/01/78/98/598017898.db2.gz GBPMNDIRWRNTPE-UHFFFAOYSA-N 2 0 343.475 1.192 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000884287482 598055455 /nfs/dbraw/zinc/05/54/55/598055455.db2.gz CMGFQRQOUQKGRO-HNNXBMFYSA-N 2 0 329.391 1.219 20 0 EDADRP COCC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000884325832 598067965 /nfs/dbraw/zinc/06/79/65/598067965.db2.gz BWKBGEDZMVERNJ-KRWDZBQOSA-N 2 0 334.464 1.519 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884389460 598090031 /nfs/dbraw/zinc/09/00/31/598090031.db2.gz YKSGMDRTQLNEOL-QGZVFWFLSA-N 2 0 328.460 1.982 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCc1ccccc1CN(C)Cc1ccco1 ZINC000884427162 598101849 /nfs/dbraw/zinc/10/18/49/598101849.db2.gz KESFQCQZNLNZSX-GOSISDBHSA-N 2 0 345.443 1.892 20 0 EDADRP C[N@H+](CCNS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2)C1CCCC1 ZINC000914068863 695058840 /nfs/dbraw/zinc/05/88/40/695058840.db2.gz QUOOFYJIYLHMEE-INIZCTEOSA-N 2 0 329.510 1.266 20 0 EDADRP Cc1nc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C)oc1C ZINC000948057699 695116658 /nfs/dbraw/zinc/11/66/58/695116658.db2.gz XXNIXFFUXDTVJX-XJKSGUPXSA-N 2 0 334.464 1.856 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@@H]21 ZINC000992690342 695213272 /nfs/dbraw/zinc/21/32/72/695213272.db2.gz JJZISFLAHZKOSH-YESZJQIVSA-N 2 0 347.507 1.685 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccon4)[C@H]3C2)CCC1 ZINC000992724540 695239012 /nfs/dbraw/zinc/23/90/12/695239012.db2.gz WYCVZAZMMODROY-BHYGNILZSA-N 2 0 346.475 1.876 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC000992879591 695424002 /nfs/dbraw/zinc/42/40/02/695424002.db2.gz UXFFZWWIUMADCK-KBAYOESNSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)o1 ZINC000992904460 695440501 /nfs/dbraw/zinc/44/05/01/695440501.db2.gz FQHTXGJOBOALGL-IXDOHACOSA-N 2 0 346.475 1.796 20 0 EDADRP Cc1nnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)o1 ZINC000992911086 695447055 /nfs/dbraw/zinc/44/70/55/695447055.db2.gz VXQPGLYIDIGZLD-HRCADAONSA-N 2 0 347.463 1.191 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856958 700007295 /nfs/dbraw/zinc/00/72/95/700007295.db2.gz NENDKPIOLDMIHN-IPCDKGFNSA-N 2 0 341.455 1.098 20 0 EDADRP C/C(=C/C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)CN1CCOCC1 ZINC000915263048 695775673 /nfs/dbraw/zinc/77/56/73/695775673.db2.gz ZVKWULMPJHAXIQ-VZVUQDNOSA-N 2 0 344.459 1.397 20 0 EDADRP Cc1nccc(NC2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001060629788 696479436 /nfs/dbraw/zinc/47/94/36/696479436.db2.gz HLDVFGLECAAMLN-TWRYWWQQSA-N 2 0 331.464 1.965 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CCC[N@H+](CCn3cccn3)[C@H]2C)CC1 ZINC000994081798 696516578 /nfs/dbraw/zinc/51/65/78/696516578.db2.gz PVOVFCILJDNRKF-ROUUACIJSA-N 2 0 347.507 1.584 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000994132646 696530340 /nfs/dbraw/zinc/53/03/40/696530340.db2.gz KHVQETZIZHCKGX-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)c1 ZINC000994246110 696626146 /nfs/dbraw/zinc/62/61/46/696626146.db2.gz ASOMCPWDCISASW-WMZOPIPTSA-N 2 0 342.487 1.955 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008332 700109833 /nfs/dbraw/zinc/10/98/33/700109833.db2.gz JCZBYUTZPOHKCO-INIZCTEOSA-N 2 0 348.495 1.171 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000940008360 700109841 /nfs/dbraw/zinc/10/98/41/700109841.db2.gz KMNMYVAYDANFKF-AWEZNQCLSA-N 2 0 347.463 1.512 20 0 EDADRP CCc1nocc1CN1CCC[C@H](NC(=O)C[NH+]2CCCC2)[C@H]1C ZINC000994406815 696830431 /nfs/dbraw/zinc/83/04/31/696830431.db2.gz KVRYWBOFNNWSEN-PBHICJAKSA-N 2 0 334.464 1.802 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12)C1CCCC1 ZINC000916971390 696866179 /nfs/dbraw/zinc/86/61/79/696866179.db2.gz DOKQOSGCHDHEBL-HOTGVXAUSA-N 2 0 340.537 1.740 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCO)[C@@H]2C)o1 ZINC000994467168 696903629 /nfs/dbraw/zinc/90/36/29/696903629.db2.gz FYOJELLVJFSUDR-GDBMZVCRSA-N 2 0 337.464 1.696 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)CCO1 ZINC001031437759 697107495 /nfs/dbraw/zinc/10/74/95/697107495.db2.gz LEEWWTHRHIXOBT-CVEARBPZSA-N 2 0 345.487 1.977 20 0 EDADRP C[C@@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000918121849 697133868 /nfs/dbraw/zinc/13/38/68/697133868.db2.gz OJPYGCKIPBRAOQ-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+]1C[C@@]2(C)CN(S(=O)(=O)CCC[NH+]3CCCC3)C[C@]2(C)C1 ZINC000918368060 697157917 /nfs/dbraw/zinc/15/79/17/697157917.db2.gz CWAIKRVFVZEGHK-HOTGVXAUSA-N 2 0 329.510 1.076 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031579188 697274938 /nfs/dbraw/zinc/27/49/38/697274938.db2.gz DBLUGFFOFYZHPZ-GOSISDBHSA-N 2 0 330.476 1.395 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CCC(F)(F)CC2)C1 ZINC001031585525 697279629 /nfs/dbraw/zinc/27/96/29/697279629.db2.gz YPCOMBNBUIKDHY-OAHLLOKOSA-N 2 0 329.435 1.954 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CC2(Cl)Cl)C1 ZINC001031584597 697280143 /nfs/dbraw/zinc/28/01/43/697280143.db2.gz GSVGJJIOMMTDGJ-OLZOCXBDSA-N 2 0 334.291 1.713 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)CC[N@@H+]1C ZINC000920406061 697426901 /nfs/dbraw/zinc/42/69/01/697426901.db2.gz XFKOSZNVBWHLOT-TUVASFSCSA-N 2 0 326.510 1.348 20 0 EDADRP O=C(NCC1CN(Cc2ccc(F)cn2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668271 697459642 /nfs/dbraw/zinc/45/96/42/697459642.db2.gz BZTFLFRLZRQWKB-QAPCUYQASA-N 2 0 346.450 1.643 20 0 EDADRP CCc1nc(C)c(CN2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031674459 697483232 /nfs/dbraw/zinc/48/32/32/697483232.db2.gz JUPRETBBQXQWSN-MRXNPFEDSA-N 2 0 346.475 1.435 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cc1 ZINC001031682357 697503864 /nfs/dbraw/zinc/50/38/64/697503864.db2.gz GBTVHMMOXUYUJR-DNVCBOLYSA-N 2 0 345.487 1.721 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CC3CC(F)(F)C3)C2)CC[N@@H+]1C ZINC001031686991 697517793 /nfs/dbraw/zinc/51/77/93/697517793.db2.gz XGDDYHUUKYGIOA-LSDHHAIUSA-N 2 0 329.435 1.810 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688879 697527477 /nfs/dbraw/zinc/52/74/77/697527477.db2.gz MYQFIUBRWUAWGA-MSOLQXFVSA-N 2 0 329.444 1.098 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C[N@@H+]1C1CC1 ZINC000921384233 697582985 /nfs/dbraw/zinc/58/29/85/697582985.db2.gz LJKILOOXYBYJNS-KEYYUXOJSA-N 2 0 336.480 1.164 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2CN([C@H](C)c3cnccn3)C2)C1 ZINC001031729383 698052116 /nfs/dbraw/zinc/05/21/16/698052116.db2.gz MBMNWFDYJNVNRU-NVXWUHKLSA-N 2 0 345.491 1.564 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730214 698066911 /nfs/dbraw/zinc/06/69/11/698066911.db2.gz HEKAIZHGNOQUQG-YJBOKZPZSA-N 2 0 335.492 1.478 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1)OC ZINC001031730676 698086513 /nfs/dbraw/zinc/08/65/13/698086513.db2.gz VATXOZAXYOXVSU-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H](C)C1 ZINC000943513851 698427176 /nfs/dbraw/zinc/42/71/76/698427176.db2.gz ARRZVPYOAUTOGL-DOTOQJQBSA-N 2 0 335.496 1.541 20 0 EDADRP C[C@@H]1C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516045 698430029 /nfs/dbraw/zinc/43/00/29/698430029.db2.gz KEAHXBJJBPJXJT-QAPCUYQASA-N 2 0 347.507 1.685 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000940111735 700226053 /nfs/dbraw/zinc/22/60/53/700226053.db2.gz NYOGQJVDIBIDKY-ZBFHGGJFSA-N 2 0 347.463 1.415 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000941487326 701555880 /nfs/dbraw/zinc/55/58/80/701555880.db2.gz KSYQAMVFJSIJGF-UHFFFAOYSA-N 2 0 341.459 1.576 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)CCO1 ZINC001031764735 699049784 /nfs/dbraw/zinc/04/97/84/699049784.db2.gz MIWKPIGXJOZYPJ-IRXDYDNUSA-N 2 0 349.519 1.726 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)C1 ZINC001031764582 699053546 /nfs/dbraw/zinc/05/35/46/699053546.db2.gz JGHSEDCJMCYKQA-QGZVFWFLSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)s1 ZINC000939054379 699114714 /nfs/dbraw/zinc/11/47/14/699114714.db2.gz IPSBAZKKTMGKAV-LRDDRELGSA-N 2 0 336.505 1.730 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)n1 ZINC000939054649 699115384 /nfs/dbraw/zinc/11/53/84/699115384.db2.gz MNBPPXBYMFJHDQ-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)C1CCCC1 ZINC001031776928 699170664 /nfs/dbraw/zinc/17/06/64/699170664.db2.gz QVOLONXCRAMYOZ-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939128757 699207616 /nfs/dbraw/zinc/20/76/16/699207616.db2.gz PBKBQNNSKYCDSQ-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939136631 699223231 /nfs/dbraw/zinc/22/32/31/699223231.db2.gz ALVCDPCFGMKZNI-NVXWUHKLSA-N 2 0 347.507 1.131 20 0 EDADRP CC[C@@H](C(=O)N1CCN(C2C[NH+](CCC(C)(C)C)C2)CC1)[NH+](C)C ZINC000941570953 701580735 /nfs/dbraw/zinc/58/07/35/701580735.db2.gz GYSHSDRYMCIIFJ-KRWDZBQOSA-N 2 0 338.540 1.591 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031806598 699429863 /nfs/dbraw/zinc/42/98/63/699429863.db2.gz IDUVPZSSAIQKKA-FUHWJXTLSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000183374351 701601808 /nfs/dbraw/zinc/60/18/08/701601808.db2.gz PGZRRSNKDDDBCN-NXHRZFHOSA-N 2 0 341.455 1.793 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995164848 701604427 /nfs/dbraw/zinc/60/44/27/701604427.db2.gz BPXMXRWBJFBPIA-HZPDHXFCSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1ccc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c(C)n1 ZINC000939544338 699685844 /nfs/dbraw/zinc/68/58/44/699685844.db2.gz JOGIUIBHDDZGIB-KSSFIOAISA-N 2 0 342.487 1.731 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cc1 ZINC000939547046 699689118 /nfs/dbraw/zinc/68/91/18/699689118.db2.gz VZWSYGMZJJQDQD-YOEHRIQHSA-N 2 0 331.435 1.858 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)n1 ZINC000939552492 699702573 /nfs/dbraw/zinc/70/25/73/699702573.db2.gz ZGVPVMVBLGVOJR-NVXWUHKLSA-N 2 0 345.491 1.496 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939754119 699904219 /nfs/dbraw/zinc/90/42/19/699904219.db2.gz LCNIENWITFBOSJ-HIFRSBDPSA-N 2 0 336.867 1.767 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c1 ZINC000939757357 699924305 /nfs/dbraw/zinc/92/43/05/699924305.db2.gz XVTLKMMGJRAACT-YOEHRIQHSA-N 2 0 332.448 1.123 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)n1 ZINC000939759222 699926520 /nfs/dbraw/zinc/92/65/20/699926520.db2.gz MBCFTIVHULGUCZ-WBVHZDCISA-N 2 0 333.480 1.496 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939808969 699957555 /nfs/dbraw/zinc/95/75/55/699957555.db2.gz HFTMPRZSQICEJR-ZBFHGGJFSA-N 2 0 336.505 1.956 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940159748 700292507 /nfs/dbraw/zinc/29/25/07/700292507.db2.gz SBOUKCMJYQIEKW-INIZCTEOSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000940164612 700299542 /nfs/dbraw/zinc/29/95/42/700299542.db2.gz QQEJZUILWPPAIQ-KRWDZBQOSA-N 2 0 347.507 1.842 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)[NH+](C)C ZINC000940177154 700310356 /nfs/dbraw/zinc/31/03/56/700310356.db2.gz WYIWFLRUXZGLJF-CYBMUJFWSA-N 2 0 325.482 1.349 20 0 EDADRP CC1([NH2+]Cc2ncccn2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200344 700358851 /nfs/dbraw/zinc/35/88/51/700358851.db2.gz MIBZBNNHJZNPHV-UHFFFAOYSA-N 2 0 343.475 1.576 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995167193 701634625 /nfs/dbraw/zinc/63/46/25/701634625.db2.gz IHQUTYQNGULOFW-GJZGRUSLSA-N 2 0 348.516 1.922 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995167292 701634632 /nfs/dbraw/zinc/63/46/32/701634632.db2.gz IUOFDAFVBUPKQB-GJZGRUSLSA-N 2 0 348.516 1.922 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995167195 701634735 /nfs/dbraw/zinc/63/47/35/701634735.db2.gz IHQUTYQNGULOFW-HUUCEWRRSA-N 2 0 348.516 1.922 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995167243 701634780 /nfs/dbraw/zinc/63/47/80/701634780.db2.gz IMUDAZBRUZZYFT-LSDHHAIUSA-N 2 0 332.448 1.453 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940328153 700505801 /nfs/dbraw/zinc/50/58/01/700505801.db2.gz GJJLYHFAWLVVBZ-TZMCWYRMSA-N 2 0 335.452 1.046 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940328075 700505876 /nfs/dbraw/zinc/50/58/76/700505876.db2.gz FGXKIERFVQBIBU-CABCVRRESA-N 2 0 333.480 1.089 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000940328365 700506287 /nfs/dbraw/zinc/50/62/87/700506287.db2.gz HUHAISUTMRVIGJ-GOEBONIOSA-N 2 0 348.491 1.905 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC000995169147 701646109 /nfs/dbraw/zinc/64/61/09/701646109.db2.gz RAQZTRKQORXFNO-WBVHZDCISA-N 2 0 328.460 1.552 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940329672 700509620 /nfs/dbraw/zinc/50/96/20/700509620.db2.gz WJSKBFRYTKABIF-OAHLLOKOSA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)cn2)CC1)[NH+](C)C ZINC000940334496 700514343 /nfs/dbraw/zinc/51/43/43/700514343.db2.gz MVDVVCCPGYXYNO-INIZCTEOSA-N 2 0 333.480 1.596 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067642 700529713 /nfs/dbraw/zinc/52/97/13/700529713.db2.gz ADFUZGDWUMJMEO-DOTOQJQBSA-N 2 0 345.491 1.501 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000940457677 700661631 /nfs/dbraw/zinc/66/16/31/700661631.db2.gz PFOKGNVNSRTVKQ-CYBMUJFWSA-N 2 0 337.493 1.269 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)ncn1 ZINC000940461926 700665655 /nfs/dbraw/zinc/66/56/55/700665655.db2.gz RRKFEFIGTOUZBR-UHFFFAOYSA-N 2 0 331.464 1.352 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081425 700711525 /nfs/dbraw/zinc/71/15/25/700711525.db2.gz VADLTKKBDXNRPZ-HOCLYGCPSA-N 2 0 334.464 1.699 20 0 EDADRP CCn1nncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082441 700725070 /nfs/dbraw/zinc/72/50/70/700725070.db2.gz YSTRBMYCOKCZOL-GOEBONIOSA-N 2 0 348.495 1.014 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)C1 ZINC000995102064 700898939 /nfs/dbraw/zinc/89/89/39/700898939.db2.gz GQXAXIVMGSZCSH-KGLIPLIRSA-N 2 0 335.452 1.176 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](CCOC)CC2(C)C)C1 ZINC000940973841 701016053 /nfs/dbraw/zinc/01/60/53/701016053.db2.gz XSZWIJRVYSGJGS-IAGOWNOFSA-N 2 0 339.524 1.972 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC3CCOCC3)C2)C1 ZINC001031919194 701043954 /nfs/dbraw/zinc/04/39/54/701043954.db2.gz OIIXYUJDAHPGOQ-SFHVURJKSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cnn(C)c2)CC1(C)C ZINC000941032197 701073648 /nfs/dbraw/zinc/07/36/48/701073648.db2.gz GBRMZYKRVFOABR-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033986 701077638 /nfs/dbraw/zinc/07/76/38/701077638.db2.gz ZDVTXEWBSXZPTM-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080291 701142521 /nfs/dbraw/zinc/14/25/21/701142521.db2.gz WFMVLQIUNYXJKY-NVXWUHKLSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)CCO1 ZINC001031932253 701384892 /nfs/dbraw/zinc/38/48/92/701384892.db2.gz ZKKYQZGPIFBTDS-CABCVRRESA-N 2 0 349.475 1.818 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941456899 701543204 /nfs/dbraw/zinc/54/32/04/701543204.db2.gz VNQXGOCPUUXSSU-IEBWSBKVSA-N 2 0 346.519 1.242 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)c1ccccc1 ZINC001032130234 701837672 /nfs/dbraw/zinc/83/76/72/701837672.db2.gz IFOYBWLUIAHXOJ-GOSISDBHSA-N 2 0 343.471 1.518 20 0 EDADRP O=C(NCC1C[NH+](CCCc2cccc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001032130412 701842310 /nfs/dbraw/zinc/84/23/10/701842310.db2.gz OZCAGDYAYIMPBQ-UHFFFAOYSA-N 2 0 345.462 1.902 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999177334 706619835 /nfs/dbraw/zinc/61/98/35/706619835.db2.gz XYBKGKFTDWARAI-ZWKOTPCHSA-N 2 0 335.492 1.335 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC001032134532 701891630 /nfs/dbraw/zinc/89/16/30/701891630.db2.gz YITNJFNQXXHAHL-HNAYVOBHSA-N 2 0 344.459 1.236 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977820 702038268 /nfs/dbraw/zinc/03/82/68/702038268.db2.gz JCUJPCDKMPSDLZ-YJBOKZPZSA-N 2 0 344.503 1.498 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995799514 702041565 /nfs/dbraw/zinc/04/15/65/702041565.db2.gz SSBAQFLWDFPXOL-DLBZAZTESA-N 2 0 347.507 1.583 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995827810 702101503 /nfs/dbraw/zinc/10/15/03/702101503.db2.gz WPAJSOWECZIAHS-OIISXLGYSA-N 2 0 347.507 1.395 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)c1 ZINC001031978758 702105827 /nfs/dbraw/zinc/10/58/27/702105827.db2.gz WNJNECVTVVSPEV-KDOFPFPSSA-N 2 0 331.460 1.441 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccns1 ZINC000995817881 702134167 /nfs/dbraw/zinc/13/41/67/702134167.db2.gz ATYUGRYFZVQFKX-JKSUJKDBSA-N 2 0 348.516 1.812 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182121 702183811 /nfs/dbraw/zinc/18/38/11/702183811.db2.gz FKGXOCNGOAPCAZ-SFHVURJKSA-N 2 0 331.460 1.333 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CC1 ZINC000995902954 702210418 /nfs/dbraw/zinc/21/04/18/702210418.db2.gz ILJIMCXNEBHNSJ-IRXDYDNUSA-N 2 0 337.508 1.580 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)CCC1 ZINC000995884653 702218528 /nfs/dbraw/zinc/21/85/28/702218528.db2.gz GYSCKHXQNJBPAW-CQSZACIVSA-N 2 0 336.505 1.954 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995888874 702228396 /nfs/dbraw/zinc/22/83/96/702228396.db2.gz SKSJDESIZYIQPU-INIZCTEOSA-N 2 0 347.507 1.274 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995930260 702260677 /nfs/dbraw/zinc/26/06/77/702260677.db2.gz ZYBFWMWJFDINTK-SJORKVTESA-N 2 0 349.523 1.375 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncs3)C2)CC[N@@H+]1C ZINC000999208488 706661733 /nfs/dbraw/zinc/66/17/33/706661733.db2.gz NOSVEJSPRANBSA-CWRNSKLLSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)CC2(C)C)o1 ZINC000995994410 702372064 /nfs/dbraw/zinc/37/20/64/702372064.db2.gz DHRUFPRVBBNURR-MRXNPFEDSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000995999321 702378974 /nfs/dbraw/zinc/37/89/74/702378974.db2.gz UFDLXGPYCQCOPH-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944151606 702434980 /nfs/dbraw/zinc/43/49/80/702434980.db2.gz AWXLUGRDFRBVBP-MAUKXSAKSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)ncn1 ZINC000999225583 706683322 /nfs/dbraw/zinc/68/33/22/706683322.db2.gz WQFXGAPGYORUGW-UHFFFAOYSA-N 2 0 345.491 1.738 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995205909 702645976 /nfs/dbraw/zinc/64/59/76/702645976.db2.gz CXTZVTPYCFDULP-CVEARBPZSA-N 2 0 348.495 1.077 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncc(F)c3)C(C)(C)C2)C1 ZINC000996301600 702693857 /nfs/dbraw/zinc/69/38/57/702693857.db2.gz VBZVIHKKEPKMTJ-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996302752 702694679 /nfs/dbraw/zinc/69/46/79/702694679.db2.gz YVVKXQJEDPZONW-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cncc(OC)n2)C(C)(C)C1)[NH+](C)C ZINC000996315637 702703736 /nfs/dbraw/zinc/70/37/36/702703736.db2.gz QPPGESFYFZRLPA-LSDHHAIUSA-N 2 0 349.479 1.152 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)nc1 ZINC000995218463 702752365 /nfs/dbraw/zinc/75/23/65/702752365.db2.gz XQXRMCKSRFNFMG-HOTGVXAUSA-N 2 0 331.464 1.255 20 0 EDADRP Cc1cncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995219820 702761549 /nfs/dbraw/zinc/76/15/49/702761549.db2.gz ZJGQXXIZCIWXBH-SJLPKXTDSA-N 2 0 330.476 1.860 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996517888 702853407 /nfs/dbraw/zinc/85/34/07/702853407.db2.gz BKBWNIDGSQTKEJ-OAHLLOKOSA-N 2 0 332.448 1.405 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000996580464 702891971 /nfs/dbraw/zinc/89/19/71/702891971.db2.gz NHGKFHPEUMIPBV-MSOLQXFVSA-N 2 0 337.508 1.722 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996606360 702909723 /nfs/dbraw/zinc/90/97/23/702909723.db2.gz GLBDVQNTZLARRW-GDBMZVCRSA-N 2 0 333.480 1.324 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996603628 702913180 /nfs/dbraw/zinc/91/31/80/702913180.db2.gz RQSNNKDFCZFOPG-CRAIPNDOSA-N 2 0 347.507 1.885 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC000996604021 702913574 /nfs/dbraw/zinc/91/35/74/702913574.db2.gz QICIHDZRCNWOMF-OKZBNKHCSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996614153 702919341 /nfs/dbraw/zinc/91/93/41/702919341.db2.gz ZIQZSNITJPIWTP-INIZCTEOSA-N 2 0 346.475 1.513 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000996643624 702946221 /nfs/dbraw/zinc/94/62/21/702946221.db2.gz CTUATVFSOQPXAF-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996669640 702971410 /nfs/dbraw/zinc/97/14/10/702971410.db2.gz RIMDIFFCENWQEV-INIZCTEOSA-N 2 0 348.495 1.159 20 0 EDADRP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000996672849 702973675 /nfs/dbraw/zinc/97/36/75/702973675.db2.gz RBKYJHZOELLUQN-IAGOWNOFSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1)C1CC1 ZINC000996675140 702974108 /nfs/dbraw/zinc/97/41/08/702974108.db2.gz FGOKBMYKUGADLL-MOPGFXCFSA-N 2 0 345.487 1.641 20 0 EDADRP O=C([C@@H]1CCCc2nccn21)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996676351 702975288 /nfs/dbraw/zinc/97/52/88/702975288.db2.gz HEILKQQFNPWPSS-IRXDYDNUSA-N 2 0 346.475 1.910 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)c1 ZINC000996680694 702978814 /nfs/dbraw/zinc/97/88/14/702978814.db2.gz UHCGZVOMVXXGRT-GOSISDBHSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996690110 702987415 /nfs/dbraw/zinc/98/74/15/702987415.db2.gz OXCWXXLNRFYBKE-SFHVURJKSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1)[NH+](C)C ZINC000996691347 702988883 /nfs/dbraw/zinc/98/88/83/702988883.db2.gz KQZNDWAUDHZZGK-RDJZCZTQSA-N 2 0 325.497 1.580 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996731107 703028198 /nfs/dbraw/zinc/02/81/98/703028198.db2.gz UVLRNJPJTXMARQ-KRWDZBQOSA-N 2 0 334.439 1.786 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996748902 703035274 /nfs/dbraw/zinc/03/52/74/703035274.db2.gz NHSLRQNVSGTBQW-SFHVURJKSA-N 2 0 347.507 1.584 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)n1 ZINC000996771830 703062046 /nfs/dbraw/zinc/06/20/46/703062046.db2.gz UVQKQQBECGTDLR-UHFFFAOYSA-N 2 0 345.491 1.612 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CCC([NH+]3CCN(CC4CC4)CC3)CC2)C1 ZINC000996802949 703093240 /nfs/dbraw/zinc/09/32/40/703093240.db2.gz OPISMGCPOYAALK-LMDPOFIKSA-N 2 0 348.535 1.393 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@H]2C[C@]23CCOC3)CC1)[NH+]1CCCC1 ZINC000996868730 703141112 /nfs/dbraw/zinc/14/11/12/703141112.db2.gz YIGDYDYGXIDBFD-UZLBHIALSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3nccs3)CC2)CC[N@@H+]1C ZINC000996923492 703194370 /nfs/dbraw/zinc/19/43/70/703194370.db2.gz SREIHFBYBNPWLV-KBPBESRZSA-N 2 0 336.505 1.954 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042740 703205986 /nfs/dbraw/zinc/20/59/86/703205986.db2.gz IPIGMONLRVSZKA-DOTOQJQBSA-N 2 0 348.516 1.751 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000996996940 703260411 /nfs/dbraw/zinc/26/04/11/703260411.db2.gz CJNJFLMUUPZXAD-CHWSQXEVSA-N 2 0 334.468 1.239 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008976 703262317 /nfs/dbraw/zinc/26/23/17/703262317.db2.gz NQOAGZJOBYPXHL-GDBMZVCRSA-N 2 0 333.480 1.181 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005507 703262860 /nfs/dbraw/zinc/26/28/60/703262860.db2.gz DSXNARXWUBFCCO-YOEHRIQHSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)on1 ZINC000997059196 703304547 /nfs/dbraw/zinc/30/45/47/703304547.db2.gz WVRVMHCTIQHMSS-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3ccns3)CC2)CC1 ZINC000997114425 703367134 /nfs/dbraw/zinc/36/71/34/703367134.db2.gz BPLBRZNVQNRGHO-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997116425 703370185 /nfs/dbraw/zinc/37/01/85/703370185.db2.gz ZBJSRQDSRNVFGQ-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CC1 ZINC000997116316 703370218 /nfs/dbraw/zinc/37/02/18/703370218.db2.gz WCMISUFIGXJKCP-XLIONFOSSA-N 2 0 349.519 1.726 20 0 EDADRP CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000997125882 703384589 /nfs/dbraw/zinc/38/45/89/703384589.db2.gz SDLDONUFBNPCBM-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997191911 703488610 /nfs/dbraw/zinc/48/86/10/703488610.db2.gz HDENNJFJBYPQPK-UHFFFAOYSA-N 2 0 332.448 1.413 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)[nH]1 ZINC000997191990 703488885 /nfs/dbraw/zinc/48/88/85/703488885.db2.gz IFJDEZMTOSOBPP-UHFFFAOYSA-N 2 0 346.479 1.105 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997300508 703544110 /nfs/dbraw/zinc/54/41/10/703544110.db2.gz WJWVXWWKXCICKS-CHWSQXEVSA-N 2 0 335.452 1.225 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997298334 703556241 /nfs/dbraw/zinc/55/62/41/703556241.db2.gz IMDMMHTWBGCIGU-CQSZACIVSA-N 2 0 332.448 1.584 20 0 EDADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CCO)CC1 ZINC000997345460 703575336 /nfs/dbraw/zinc/57/53/36/703575336.db2.gz OSNUKYZFXFWSDK-OAHLLOKOSA-N 2 0 333.476 1.571 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000997367143 703601542 /nfs/dbraw/zinc/60/15/42/703601542.db2.gz VPNBSQXWJLWTGD-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000997368209 703604924 /nfs/dbraw/zinc/60/49/24/703604924.db2.gz RIBAIMAVVSXKJG-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1)[NH+]1CCCC1 ZINC000997370184 703612823 /nfs/dbraw/zinc/61/28/23/703612823.db2.gz VBZXXCMAFAXQLT-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCn2cccn2)CC1 ZINC000997422739 703671167 /nfs/dbraw/zinc/67/11/67/703671167.db2.gz YTGLYVUZJHJTBN-NVXWUHKLSA-N 2 0 333.480 1.052 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997431179 703673419 /nfs/dbraw/zinc/67/34/19/703673419.db2.gz LRTRUUQGOSNGJC-JKSUJKDBSA-N 2 0 347.503 1.959 20 0 EDADRP C[C@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032474981 703694983 /nfs/dbraw/zinc/69/49/83/703694983.db2.gz CXEFVXFRDDPSDX-JYJNAYRXSA-N 2 0 341.471 1.378 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1 ZINC001032500487 703815837 /nfs/dbraw/zinc/81/58/37/703815837.db2.gz XQGIJGSAEKQKTI-JLSDUUJJSA-N 2 0 340.427 1.660 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000999274323 706766607 /nfs/dbraw/zinc/76/66/07/706766607.db2.gz NQSFACQNTYEQDL-TZMCWYRMSA-N 2 0 325.478 1.385 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995552383 703959646 /nfs/dbraw/zinc/95/96/46/703959646.db2.gz QPNFEUVPQSUCNZ-JKSUJKDBSA-N 2 0 333.480 1.324 20 0 EDADRP COC[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997659405 703987828 /nfs/dbraw/zinc/98/78/28/703987828.db2.gz HPQKQJDCWLIOLG-CVEARBPZSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCCCO2)CC1 ZINC001032710980 706801619 /nfs/dbraw/zinc/80/16/19/706801619.db2.gz AXEBYWJIWRWPOX-GBESFXJTSA-N 2 0 349.519 1.961 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598087 704311488 /nfs/dbraw/zinc/31/14/88/704311488.db2.gz XOMQZCCGVFSJJC-ZSYWTGECSA-N 2 0 347.503 1.430 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(C)nc2)C1 ZINC000999309739 706812256 /nfs/dbraw/zinc/81/22/56/706812256.db2.gz VTSPGTHWXNIPQN-MSOLQXFVSA-N 2 0 345.491 1.740 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997785856 704689904 /nfs/dbraw/zinc/68/99/04/704689904.db2.gz MQOUFLBAVRDBTD-RHSMWYFYSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997832126 704750497 /nfs/dbraw/zinc/75/04/97/704750497.db2.gz ZPXKZSKULMETTL-KRWDZBQOSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000997836794 704753820 /nfs/dbraw/zinc/75/38/20/704753820.db2.gz KXIOWVAAUHZNOP-DLBZAZTESA-N 2 0 349.519 1.726 20 0 EDADRP Cn1nncc1C[NH2+]CC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997839147 704754641 /nfs/dbraw/zinc/75/46/41/704754641.db2.gz HITIJVKNLNHXKJ-INIZCTEOSA-N 2 0 348.495 1.018 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997859268 704768277 /nfs/dbraw/zinc/76/82/77/704768277.db2.gz KNZRDTJDIFMVPE-DLBZAZTESA-N 2 0 347.463 1.415 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997864432 704771068 /nfs/dbraw/zinc/77/10/68/704771068.db2.gz HXOOOWOCCCMOKK-KRWDZBQOSA-N 2 0 334.464 1.796 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC[C@@H]1CCCCO1 ZINC001032573934 704962426 /nfs/dbraw/zinc/96/24/26/704962426.db2.gz XHNATPRMLKVWAG-XSLAGTTESA-N 2 0 335.492 1.715 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950263 705076421 /nfs/dbraw/zinc/07/64/21/705076421.db2.gz RDQVUXBEGRMARC-ZWKOTPCHSA-N 2 0 347.507 1.680 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000997951134 705077703 /nfs/dbraw/zinc/07/77/03/705077703.db2.gz VOBRTZRTZSYJDB-FUHWJXTLSA-N 2 0 347.507 1.717 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC000998080828 705305840 /nfs/dbraw/zinc/30/58/40/705305840.db2.gz DJIISTYUJFNZCM-OAHLLOKOSA-N 2 0 345.491 1.455 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nc(C)oc2C)CC1)[NH+](C)C ZINC000998084564 705315405 /nfs/dbraw/zinc/31/54/05/705315405.db2.gz CGOSENQWSYEDPE-KRWDZBQOSA-N 2 0 336.480 1.960 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2csnn2)CC1)[NH+](C)C ZINC000998085470 705316968 /nfs/dbraw/zinc/31/69/68/705316968.db2.gz GGDSJTGDLWITSR-WFASDCNBSA-N 2 0 339.509 1.768 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC001015898513 705419892 /nfs/dbraw/zinc/41/98/92/705419892.db2.gz FRIBHMCITLRVJV-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000998216609 705538962 /nfs/dbraw/zinc/53/89/62/705538962.db2.gz IIOHNDRAKUSMLF-KRWDZBQOSA-N 2 0 345.491 1.455 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998217714 705540334 /nfs/dbraw/zinc/54/03/34/705540334.db2.gz RWIGPUPLAGFOPW-INIZCTEOSA-N 2 0 333.480 1.090 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)C12CC[NH+](CC1)C2 ZINC000998222635 705549266 /nfs/dbraw/zinc/54/92/66/705549266.db2.gz JKRSTBQLTXUVGE-UHFFFAOYSA-N 2 0 346.450 1.645 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC000998266768 705635982 /nfs/dbraw/zinc/63/59/82/705635982.db2.gz QRLRUXSCIYBASA-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998273503 705653823 /nfs/dbraw/zinc/65/38/23/705653823.db2.gz QWBKAKDYOQZKFU-HNNXBMFYSA-N 2 0 334.439 1.501 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)cn1 ZINC000998547804 705979928 /nfs/dbraw/zinc/97/99/28/705979928.db2.gz ACXGDLZMQXXRQM-UYSNPLJNSA-N 2 0 332.448 1.263 20 0 EDADRP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000998547934 705982869 /nfs/dbraw/zinc/98/28/69/705982869.db2.gz CMKDRUYZMFWNIC-KVZIAJEVSA-N 2 0 344.503 1.926 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](NCc2csc(Cl)n2)C1 ZINC000998730215 706162278 /nfs/dbraw/zinc/16/22/78/706162278.db2.gz JLPGTDSREUMKJA-DGCLKSJQSA-N 2 0 342.896 1.971 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762768 706201221 /nfs/dbraw/zinc/20/12/21/706201221.db2.gz GVNDMPLAXGQDMP-OFLPRAFFSA-N 2 0 334.464 1.935 20 0 EDADRP Cc1csc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)n1 ZINC000998780582 706221696 /nfs/dbraw/zinc/22/16/96/706221696.db2.gz QOVLFJFTGYSVBL-GPANFISMSA-N 2 0 348.516 1.872 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999050208 706471150 /nfs/dbraw/zinc/47/11/50/706471150.db2.gz LCLGWYOJYXKPEE-UHFFFAOYSA-N 2 0 345.491 1.170 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)on1 ZINC000999341762 706853532 /nfs/dbraw/zinc/85/35/32/706853532.db2.gz IMUIFJHKIUNCCG-UHFFFAOYSA-N 2 0 336.436 1.104 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)c1 ZINC000999342692 706854652 /nfs/dbraw/zinc/85/46/52/706854652.db2.gz MVNVOGGMQKWFSE-UHFFFAOYSA-N 2 0 330.476 1.811 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C1)C1CC1 ZINC000999367198 706880907 /nfs/dbraw/zinc/88/09/07/706880907.db2.gz DVFJOAFYIUOTMU-CRAIPNDOSA-N 2 0 345.491 1.250 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC000999404354 706912927 /nfs/dbraw/zinc/91/29/27/706912927.db2.gz ZQGLAUCQIQMDEY-IAGOWNOFSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC000999407417 706916935 /nfs/dbraw/zinc/91/69/35/706916935.db2.gz UTAJNIMCELATTF-RWBZWWBESA-N 2 0 330.476 1.953 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)[NH+](C)C ZINC000999423055 706928498 /nfs/dbraw/zinc/92/84/98/706928498.db2.gz NAWOLFGQSVZQHF-HOCLYGCPSA-N 2 0 338.521 1.852 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000999513306 707011991 /nfs/dbraw/zinc/01/19/91/707011991.db2.gz RYTYFMBDVVGJGD-MAUKXSAKSA-N 2 0 346.475 1.655 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2cnn(CC)c2)C1)[NH+](C)C ZINC000999489262 707025542 /nfs/dbraw/zinc/02/55/42/707025542.db2.gz JUVUGHOAEFLYDR-DLBZAZTESA-N 2 0 335.496 1.366 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2c(C)nnn2CC)C1)[NH+](C)C ZINC000999490898 707027106 /nfs/dbraw/zinc/02/71/06/707027106.db2.gz UBFIXMYQJMGPJG-LSDHHAIUSA-N 2 0 336.484 1.027 20 0 EDADRP Cc1nonc1CN[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC000999571863 707077466 /nfs/dbraw/zinc/07/74/66/707077466.db2.gz AYGIKJMGBJMPPT-DOTOQJQBSA-N 2 0 349.479 1.579 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594518 707097986 /nfs/dbraw/zinc/09/79/86/707097986.db2.gz BBMXBGRCZHHVHR-MRXNPFEDSA-N 2 0 343.475 1.494 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555377 707180326 /nfs/dbraw/zinc/18/03/26/707180326.db2.gz LWDHXMGJEVHRCV-DOTOQJQBSA-N 2 0 333.476 1.630 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000999700834 707230821 /nfs/dbraw/zinc/23/08/21/707230821.db2.gz ZMFQMXQMCDGZEQ-UHFFFAOYSA-N 2 0 334.489 1.626 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999704755 707294581 /nfs/dbraw/zinc/29/45/81/707294581.db2.gz ZTZPGFQUJGULAZ-NFOMZHRRSA-N 2 0 332.448 1.377 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@@H](C)OC)C[C@H]2CC1)[NH+](C)C ZINC000946784373 707309126 /nfs/dbraw/zinc/30/91/26/707309126.db2.gz HXUIBGVTVTUGOF-NCOADZHNSA-N 2 0 325.497 1.532 20 0 EDADRP COc1nscc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999832271 707462684 /nfs/dbraw/zinc/46/26/84/707462684.db2.gz BPTKWBRNDZWECV-UHFFFAOYSA-N 2 0 338.477 1.327 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000999833018 707464635 /nfs/dbraw/zinc/46/46/35/707464635.db2.gz KPZCIGJJHJCRDD-UHFFFAOYSA-N 2 0 339.871 1.248 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)s1 ZINC000999834063 707466636 /nfs/dbraw/zinc/46/66/36/707466636.db2.gz PYDDAOFAFMYCIR-UHFFFAOYSA-N 2 0 336.505 1.935 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999836300 707471681 /nfs/dbraw/zinc/47/16/81/707471681.db2.gz JGVYMVUOOIXOPU-JEYLPNPQSA-N 2 0 332.448 1.121 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000999875858 707522550 /nfs/dbraw/zinc/52/25/50/707522550.db2.gz BODUXFGYAHHCOF-VMBOVVBDSA-N 2 0 334.464 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccnc2C)C1 ZINC000999877069 707525759 /nfs/dbraw/zinc/52/57/59/707525759.db2.gz YDLBEZPVVSKPFI-LEOMRAHMSA-N 2 0 345.491 1.738 20 0 EDADRP C[C@@H](NCc1ncnn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004875744 707541752 /nfs/dbraw/zinc/54/17/52/707541752.db2.gz HAPWTFZJASHLLQ-ZBFHGGJFSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995587 707674234 /nfs/dbraw/zinc/67/42/34/707674234.db2.gz GZHRCVNDSVLLMT-HOTGVXAUSA-N 2 0 334.468 1.034 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC001033389634 707760876 /nfs/dbraw/zinc/76/08/76/707760876.db2.gz DXIDMTGHHSZFNF-MRXNPFEDSA-N 2 0 349.479 1.185 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCc3ccns3)C2)C1 ZINC001033421482 707835157 /nfs/dbraw/zinc/83/51/57/707835157.db2.gz YEMRCQPDLHNWHP-LSDHHAIUSA-N 2 0 336.505 1.560 20 0 EDADRP Cc1nc(C)c(C)c(N2CC[C@@H](CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)n1 ZINC001061605075 707862458 /nfs/dbraw/zinc/86/24/58/707862458.db2.gz WAEGCEHXTHVSFX-HOTGVXAUSA-N 2 0 331.464 1.296 20 0 EDADRP C[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCn2cncn2)C1)[NH+]1CCCCCC1 ZINC001033467894 707926464 /nfs/dbraw/zinc/92/64/64/707926464.db2.gz SMFKJUFLHWLNPF-IRXDYDNUSA-N 2 0 348.495 1.075 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](NCc2cnon2)C1 ZINC001000377926 708003382 /nfs/dbraw/zinc/00/33/82/708003382.db2.gz LOGMWKPRZXWOIB-HOCLYGCPSA-N 2 0 335.452 1.413 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@@H+](C)C3)C2)cs1 ZINC001000915514 708076508 /nfs/dbraw/zinc/07/65/08/708076508.db2.gz DNRYJYXJGNHDRC-GJZGRUSLSA-N 2 0 336.505 1.526 20 0 EDADRP CCc1ccccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001016249871 708122761 /nfs/dbraw/zinc/12/27/61/708122761.db2.gz KEDTXYCMAHRNIQ-RBUKOAKNSA-N 2 0 329.488 1.934 20 0 EDADRP O=C(NCC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001001424606 708146720 /nfs/dbraw/zinc/14/67/20/708146720.db2.gz JBNJTCVNSXJBQZ-ZKYZJJDDSA-N 2 0 341.883 1.430 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582954 708266792 /nfs/dbraw/zinc/26/67/92/708266792.db2.gz RTBAMMYVXIQLHB-JKSUJKDBSA-N 2 0 334.464 1.666 20 0 EDADRP CN(C(=O)Cc1cncn1C)[C@@H]1CC[N@H+](Cc2cccc(F)c2)C1 ZINC001033589947 708286190 /nfs/dbraw/zinc/28/61/90/708286190.db2.gz OSNRBYOSBCTCQL-MRXNPFEDSA-N 2 0 330.407 1.835 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033591457 708289063 /nfs/dbraw/zinc/28/90/63/708289063.db2.gz CGOCARAXSSZOSY-ROUUACIJSA-N 2 0 349.519 1.556 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033591453 708289246 /nfs/dbraw/zinc/28/92/46/708289246.db2.gz CGOCARAXSSZOSY-MSOLQXFVSA-N 2 0 349.519 1.556 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795775 708310627 /nfs/dbraw/zinc/31/06/27/708310627.db2.gz XJBIKIBFMFOFOY-UHFFFAOYSA-N 2 0 345.491 1.455 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CC3CCC3)CC2)cn1 ZINC001001922882 708430193 /nfs/dbraw/zinc/43/01/93/708430193.db2.gz CZVUMGWBFGAITO-UHFFFAOYSA-N 2 0 347.507 1.687 20 0 EDADRP O=C(NCC1CC[NH+](CCF)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001002031120 708552436 /nfs/dbraw/zinc/55/24/36/708552436.db2.gz XOIPKIUSHRXIPM-UHFFFAOYSA-N 2 0 325.472 1.906 20 0 EDADRP COc1cc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC001002119590 708632758 /nfs/dbraw/zinc/63/27/58/708632758.db2.gz BTMUYMKXMKYVLI-KRWDZBQOSA-N 2 0 346.475 1.370 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001002122082 708636271 /nfs/dbraw/zinc/63/62/71/708636271.db2.gz YEXSNEYIPZYMJC-IBGZPJMESA-N 2 0 345.487 1.459 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001002125923 708641267 /nfs/dbraw/zinc/64/12/67/708641267.db2.gz MJZSYSAZBGPJPV-OAHLLOKOSA-N 2 0 329.435 1.812 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002126673 708642447 /nfs/dbraw/zinc/64/24/47/708642447.db2.gz OSYULWMLXRNYMZ-MRXNPFEDSA-N 2 0 331.464 1.065 20 0 EDADRP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)OC ZINC001005408351 708916117 /nfs/dbraw/zinc/91/61/17/708916117.db2.gz XJTXMWWNYQBRDE-DJIMGWMZSA-N 2 0 325.497 1.674 20 0 EDADRP CC(C)=CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC001005426332 708978238 /nfs/dbraw/zinc/97/82/38/708978238.db2.gz SHIRKFOGGZBJDF-QZTJIDSGSA-N 2 0 335.492 1.739 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001033884310 708987866 /nfs/dbraw/zinc/98/78/66/708987866.db2.gz YPVKFSNEUOJEIU-GOEBONIOSA-N 2 0 330.432 1.906 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC001002475324 709011078 /nfs/dbraw/zinc/01/10/78/709011078.db2.gz MCTDHJOZHKPKFQ-GOSISDBHSA-N 2 0 349.450 1.493 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NCc2cnc3n2CCOC3)CC1 ZINC000921927791 709021998 /nfs/dbraw/zinc/02/19/98/709021998.db2.gz OFLWTXXAFDQGIT-UHFFFAOYSA-N 2 0 328.420 1.172 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033941279 709147947 /nfs/dbraw/zinc/14/79/47/709147947.db2.gz ORTQSCAGFCJIIZ-GOSISDBHSA-N 2 0 330.476 1.846 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033941310 709147991 /nfs/dbraw/zinc/14/79/91/709147991.db2.gz PFYCDMZEEQWFPN-SFHVURJKSA-N 2 0 347.507 1.227 20 0 EDADRP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001034135603 709406397 /nfs/dbraw/zinc/40/63/97/709406397.db2.gz DLTMIYXGAGELEF-FUHWJXTLSA-N 2 0 330.476 1.955 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001002813032 709420645 /nfs/dbraw/zinc/42/06/45/709420645.db2.gz WGQJXDSBHXELCT-FUHWJXTLSA-N 2 0 345.491 1.338 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3CC)C2)cn1 ZINC001016337390 709459450 /nfs/dbraw/zinc/45/94/50/709459450.db2.gz GZEBALLJFYIKAI-ROUUACIJSA-N 2 0 347.507 1.510 20 0 EDADRP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875086 709481619 /nfs/dbraw/zinc/48/16/19/709481619.db2.gz NGQKDYWJLFQWRB-KBPBESRZSA-N 2 0 349.397 1.383 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034206388 709551755 /nfs/dbraw/zinc/55/17/55/709551755.db2.gz CJPYPLHGDZLZTG-RTBURBONSA-N 2 0 342.487 1.894 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCC3CC3)C2)n1 ZINC001034211095 709561638 /nfs/dbraw/zinc/56/16/38/709561638.db2.gz XNFKRLGUKSKKFX-QGZVFWFLSA-N 2 0 347.507 1.829 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213211 709565175 /nfs/dbraw/zinc/56/51/75/709565175.db2.gz WGKZAMUQZWQEIE-HZPDHXFCSA-N 2 0 325.497 1.602 20 0 EDADRP Cc1oncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001034214201 709566776 /nfs/dbraw/zinc/56/67/76/709566776.db2.gz IRUYYIYXWVVKOO-XOKHGSTOSA-N 2 0 334.464 1.794 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034444944 709989302 /nfs/dbraw/zinc/98/93/02/709989302.db2.gz NSBOHXGPEUGWNR-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445181 709989606 /nfs/dbraw/zinc/98/96/06/709989606.db2.gz QLDZJADUWQEPQQ-YJBOKZPZSA-N 2 0 333.476 1.713 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001034439208 710015411 /nfs/dbraw/zinc/01/54/11/710015411.db2.gz SJLYTKUCLRHIQW-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001003165603 710077150 /nfs/dbraw/zinc/07/71/50/710077150.db2.gz HPHXWCVLPMHPTF-GOSISDBHSA-N 2 0 330.476 1.955 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001034488647 710137980 /nfs/dbraw/zinc/13/79/80/710137980.db2.gz WZLFCMHMUSWJSH-QGZVFWFLSA-N 2 0 345.491 1.029 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccc(CO)cc2)CC1 ZINC001034606742 710269999 /nfs/dbraw/zinc/26/99/99/710269999.db2.gz CHIJNYWFQXMOGN-FHWLQOOXSA-N 2 0 345.487 1.790 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC001034642521 710318142 /nfs/dbraw/zinc/31/81/42/710318142.db2.gz GJYXTHWKRUXVHF-JYJNAYRXSA-N 2 0 348.495 1.503 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)C1 ZINC001003484029 710378310 /nfs/dbraw/zinc/37/83/10/710378310.db2.gz UVBJLDYFZMJPCG-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1ncc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)s1 ZINC001003544296 710412294 /nfs/dbraw/zinc/41/22/94/710412294.db2.gz PECIFMKMXAPQKE-UHFFFAOYSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCC2CCOCC2)CC1 ZINC001003628195 710458126 /nfs/dbraw/zinc/45/81/26/710458126.db2.gz NXDHUSBLNKJDAF-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC001003668046 710480207 /nfs/dbraw/zinc/48/02/07/710480207.db2.gz VUSOPPKDLOESEA-LZQZEXGQSA-N 2 0 345.487 1.293 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC001034673500 710611348 /nfs/dbraw/zinc/61/13/48/710611348.db2.gz BPILDWVSRNARIP-ZOBUZTSGSA-N 2 0 334.464 1.984 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1)C12CCC[NH+]1CCC2 ZINC001034684081 710702717 /nfs/dbraw/zinc/70/27/17/710702717.db2.gz QZNSFDCGVOXQGR-WKILWMFISA-N 2 0 343.475 1.622 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001034715860 710854496 /nfs/dbraw/zinc/85/44/96/710854496.db2.gz QNTVHMUGDZKVPZ-BQFCYCMXSA-N 2 0 337.508 1.793 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)CC[N@@H+]1C ZINC001034716959 710862512 /nfs/dbraw/zinc/86/25/12/710862512.db2.gz TWWYUYWTQPPCGH-QAETUUGQSA-N 2 0 347.507 1.667 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC[C@@H]3CCCO3)CC2)CC1 ZINC001034721111 710872586 /nfs/dbraw/zinc/87/25/86/710872586.db2.gz JSZDOLZTUYVNCS-BZSNNMDCSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCOC3)CC2)C1 ZINC001034734067 710915224 /nfs/dbraw/zinc/91/52/24/710915224.db2.gz JDBLXNSFSQDAIT-BRSBDYLESA-N 2 0 337.508 1.772 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC001034738604 710954106 /nfs/dbraw/zinc/95/41/06/710954106.db2.gz UOEWNSYWFWCHIS-MBGYTDRXSA-N 2 0 345.491 1.500 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001034756647 711008117 /nfs/dbraw/zinc/00/81/17/711008117.db2.gz KQIOGIZCNUGKCA-ZTFGCOKTSA-N 2 0 333.476 1.760 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001034791896 711117514 /nfs/dbraw/zinc/11/75/14/711117514.db2.gz XEQZNHOXYKBCCP-JYJNAYRXSA-N 2 0 331.464 1.254 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034792414 711119545 /nfs/dbraw/zinc/11/95/45/711119545.db2.gz JCZNWPLXHRTVEQ-KBUPBQIOSA-N 2 0 349.479 1.662 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003975591 711173230 /nfs/dbraw/zinc/17/32/30/711173230.db2.gz VIDXZFIUXNIWQQ-UHFFFAOYSA-N 2 0 334.489 1.628 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC)cc1 ZINC001034819657 711219563 /nfs/dbraw/zinc/21/95/63/711219563.db2.gz AFANMVNHZOJLHV-GOSISDBHSA-N 2 0 333.476 1.913 20 0 EDADRP CCCC[NH+]1CCC(N(C)C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001005740723 711275019 /nfs/dbraw/zinc/27/50/19/711275019.db2.gz HMBMBZVZSUQJQH-RMXPPQQLSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2C[NH+]3CCC2CC3)s1 ZINC001034942584 711395901 /nfs/dbraw/zinc/39/59/01/711395901.db2.gz ZCTWPJFXZFXNGM-HZPDHXFCSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034960533 711401981 /nfs/dbraw/zinc/40/19/81/711401981.db2.gz MIMZMWKGLRGKOV-WBVHZDCISA-N 2 0 331.464 1.206 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957778 711429920 /nfs/dbraw/zinc/42/99/20/711429920.db2.gz IZXZBUIYLSDMSQ-MRXNPFEDSA-N 2 0 333.480 1.468 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2C[NH+]3CCC2CC3)cn1 ZINC001034941303 711445800 /nfs/dbraw/zinc/44/58/00/711445800.db2.gz MAFYGHUBDOAUPG-MSOLQXFVSA-N 2 0 343.475 1.207 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386546 711447669 /nfs/dbraw/zinc/44/76/69/711447669.db2.gz FWYGHHOMUINHHU-MTNOOBJLSA-N 2 0 348.491 1.286 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc([C@H](C)O)s1)C2 ZINC000922391595 711456246 /nfs/dbraw/zinc/45/62/46/711456246.db2.gz WVYRJPUBSLCETN-IEEZVJAPSA-N 2 0 339.505 1.766 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn4c3CCC4)C2)[C@@H]1C(C)C ZINC000922395538 711469027 /nfs/dbraw/zinc/46/90/27/711469027.db2.gz SSBRURNINFRVIU-YSHGAJCASA-N 2 0 332.492 1.789 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@@]2(C[N@H+](CC)[C@H]2C(C)C)C[C@H]1O ZINC000922396061 711470749 /nfs/dbraw/zinc/47/07/49/711470749.db2.gz ZUFXKPYLBYVDSD-BGTYHANMSA-N 2 0 335.496 1.566 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004490697 711870089 /nfs/dbraw/zinc/87/00/89/711870089.db2.gz RULNZOUAFDAPHD-SFHVURJKSA-N 2 0 342.443 1.643 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033127590 711878057 /nfs/dbraw/zinc/87/80/57/711878057.db2.gz WHAKYYHHTBOZME-IRXDYDNUSA-N 2 0 333.480 1.290 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+]2CCC[C@H]2C)CC1 ZINC001004546064 711957005 /nfs/dbraw/zinc/95/70/05/711957005.db2.gz FWSNAXANPNDHHI-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001004596515 712037477 /nfs/dbraw/zinc/03/74/77/712037477.db2.gz MQZDMTJIMOYNPM-WMZOPIPTSA-N 2 0 337.508 1.678 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644705 712151203 /nfs/dbraw/zinc/15/12/03/712151203.db2.gz ICPHKCIJKQJTHW-AKHDSKFASA-N 2 0 349.519 1.678 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000069742354 282146226 /nfs/dbraw/zinc/14/62/26/282146226.db2.gz DUDXXJBWBHCPDA-GOSISDBHSA-N 2 0 345.487 1.933 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000559446850 306255176 /nfs/dbraw/zinc/25/51/76/306255176.db2.gz FSAKJOISWKNIMU-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCC(=O)c2ccccc21 ZINC000559568502 306256445 /nfs/dbraw/zinc/25/64/45/306256445.db2.gz ZOCVWVBGZQKWLY-KRWDZBQOSA-N 2 0 331.460 1.699 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC000178013276 232059330 /nfs/dbraw/zinc/05/93/30/232059330.db2.gz BNZIWUCAYPEUBS-SJORKVTESA-N 2 0 346.475 1.676 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000102010263 219179746 /nfs/dbraw/zinc/17/97/46/219179746.db2.gz NMKXVBPMQAROPP-UHFFFAOYSA-N 2 0 336.480 1.766 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc2n[nH]cc2c1 ZINC000560508961 306272723 /nfs/dbraw/zinc/27/27/23/306272723.db2.gz SXDYQGLJVBJKFV-CYBMUJFWSA-N 2 0 341.459 1.957 20 0 EDADRP C[C@@H]1CN(CCO)CCN1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000560516003 306273009 /nfs/dbraw/zinc/27/30/09/306273009.db2.gz VUXQIQMATDSERA-NJAFHUGGSA-N 2 0 346.475 1.140 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561145576 306282638 /nfs/dbraw/zinc/28/26/38/306282638.db2.gz WBQXXBREWJNUSA-FUHWJXTLSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+]1CCC[C@@H]1C(=O)Nc1cccc(CNC(=O)[C@@H]2CCC[N@H+]2C)c1 ZINC000332817781 539605336 /nfs/dbraw/zinc/60/53/36/539605336.db2.gz PLECOQWJYLYJHZ-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1C ZINC000333693249 539643263 /nfs/dbraw/zinc/64/32/63/539643263.db2.gz CRKYJEUVLHUXLX-LJIGWXMPSA-N 2 0 348.495 1.372 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@@H](C)C[NH+](CC)CC)C1 ZINC000342975716 539768560 /nfs/dbraw/zinc/76/85/60/539768560.db2.gz JIGCXTHOQYMZPB-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1 ZINC000151934079 539780313 /nfs/dbraw/zinc/78/03/13/539780313.db2.gz XIGPOJVGXJHLLE-KGLIPLIRSA-N 2 0 339.505 1.976 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000104520370 219393058 /nfs/dbraw/zinc/39/30/58/219393058.db2.gz ZZNZQKFUGWOSJN-INIZCTEOSA-N 2 0 332.448 1.613 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)nc1 ZINC000563206680 306323668 /nfs/dbraw/zinc/32/36/68/306323668.db2.gz MNFHOSDWCUJLMG-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCC[NH2+]C1CC1 ZINC000563208395 306323688 /nfs/dbraw/zinc/32/36/88/306323688.db2.gz WSYNNUZXOKCCJL-UHFFFAOYSA-N 2 0 330.476 1.457 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(OCC(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000163853335 540057546 /nfs/dbraw/zinc/05/75/46/540057546.db2.gz HDDRDTFZVXOECW-OAHLLOKOSA-N 2 0 333.476 1.974 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[NH+](C3CCCCC3)CC2)C[C@H](C)O1 ZINC000163900133 540057910 /nfs/dbraw/zinc/05/79/10/540057910.db2.gz IYUDOZJFTLBKIQ-ZIFCJYIRSA-N 2 0 339.524 1.407 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[NH+]1CCC(C)CC1 ZINC000073208744 138215178 /nfs/dbraw/zinc/21/51/78/138215178.db2.gz RTRPBCBUPBVRJM-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP COCCOCC[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000079498244 138261729 /nfs/dbraw/zinc/26/17/29/138261729.db2.gz XZSUERLASDDKSE-CALCHBBNSA-N 2 0 328.497 1.861 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NCC1CC[NH2+]CC1 ZINC000563593020 306340625 /nfs/dbraw/zinc/34/06/25/306340625.db2.gz GVCOUHLZKHDSIF-GOSISDBHSA-N 2 0 330.476 1.807 20 0 EDADRP CCC[NH+]1CCC(N2CCN(Cc3cnc4cnccn34)CC2)CC1 ZINC000124457295 138326742 /nfs/dbraw/zinc/32/67/42/138326742.db2.gz QHTNEKKVHZJACU-UHFFFAOYSA-N 2 0 342.491 1.721 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000339638617 283217992 /nfs/dbraw/zinc/21/79/92/283217992.db2.gz NIJMZXNRJGVOGR-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CN(C)c1ncc(C[NH2+]CC(=O)N[C@@H]2CCOc3ccccc32)n1C ZINC000563633375 306343183 /nfs/dbraw/zinc/34/31/83/306343183.db2.gz YDEIVYROVDZFPZ-OAHLLOKOSA-N 2 0 343.431 1.216 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000107328024 283320132 /nfs/dbraw/zinc/32/01/32/283320132.db2.gz WJJKLFVGOKJNTA-IYBDPMFKSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CCOC2(C[NH2+]C2)C1 ZINC000564785735 306364532 /nfs/dbraw/zinc/36/45/32/306364532.db2.gz LYQXHTBOWPICOR-QGZVFWFLSA-N 2 0 344.459 1.207 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000564792870 306365027 /nfs/dbraw/zinc/36/50/27/306365027.db2.gz KCDYLKOCZCKPJN-RBUKOAKNSA-N 2 0 349.519 1.596 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000565469700 306384731 /nfs/dbraw/zinc/38/47/31/306384731.db2.gz KBVBLWXHUIOMGC-MRXNPFEDSA-N 2 0 331.464 1.572 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000124133277 296088667 /nfs/dbraw/zinc/08/86/67/296088667.db2.gz FXMQWUGDFXNZGF-AEFFLSMTSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@@H]1C ZINC000414697353 304128688 /nfs/dbraw/zinc/12/86/88/304128688.db2.gz HAQVVNCYPIZWSS-UONOGXRCSA-N 2 0 344.459 1.607 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000355446463 283919982 /nfs/dbraw/zinc/91/99/82/283919982.db2.gz PZAPIFBZCNLECF-FGTMMUONSA-N 2 0 338.540 1.638 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000414703067 304129851 /nfs/dbraw/zinc/12/98/51/304129851.db2.gz LNHVRMQEACWLQY-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](CN(Cc2cc[nH]n2)Cc2ccccc2)C1 ZINC000414705854 304130359 /nfs/dbraw/zinc/13/03/59/304130359.db2.gz XOJWOEXMZVEJAF-QGZVFWFLSA-N 2 0 341.459 1.609 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414723036 304132980 /nfs/dbraw/zinc/13/29/80/304132980.db2.gz AYNXMUBDJZFUHA-UHFFFAOYSA-N 2 0 344.459 1.071 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000414721854 304133063 /nfs/dbraw/zinc/13/30/63/304133063.db2.gz JFOWIHFTLVLRON-UHFFFAOYSA-N 2 0 344.459 1.431 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000414726916 304133483 /nfs/dbraw/zinc/13/34/83/304133483.db2.gz MDVIXGOVZXEOCD-INIZCTEOSA-N 2 0 333.480 1.852 20 0 EDADRP COc1cccc(C[NH2+]CCCN2CC[NH2+]CC2)c1OC(F)F ZINC000414773914 304139356 /nfs/dbraw/zinc/13/93/56/304139356.db2.gz AJWAWWVHFNYLHQ-UHFFFAOYSA-N 2 0 329.391 1.682 20 0 EDADRP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000414785746 304140541 /nfs/dbraw/zinc/14/05/41/304140541.db2.gz LSUHFOVIGTUZPM-LJQANCHMSA-N 2 0 343.450 1.799 20 0 EDADRP C[C@H]1CN(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCO1 ZINC000191522780 138916588 /nfs/dbraw/zinc/91/65/88/138916588.db2.gz NEJOSURATRCUJT-KRWDZBQOSA-N 2 0 325.497 1.284 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000414834512 304146005 /nfs/dbraw/zinc/14/60/05/304146005.db2.gz SJZWPKSZZKKNCH-XJKSGUPXSA-N 2 0 344.459 1.778 20 0 EDADRP c1cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c2c(c1)OCCO2 ZINC000415044683 304154221 /nfs/dbraw/zinc/15/42/21/304154221.db2.gz AXNSNOLMIMGCSS-UHFFFAOYSA-N 2 0 331.460 1.764 20 0 EDADRP CCN(C)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000415049560 304154746 /nfs/dbraw/zinc/15/47/46/304154746.db2.gz HQMORJYIUQQITN-UHFFFAOYSA-N 2 0 331.508 1.844 20 0 EDADRP COc1cc(CN2CC[C@@H]([NH2+]C[C@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077086 304157768 /nfs/dbraw/zinc/15/77/68/304157768.db2.gz DSMBJZIBQJWPLL-VQIMIIECSA-N 2 0 333.476 1.867 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415143208 304163825 /nfs/dbraw/zinc/16/38/25/304163825.db2.gz AMKHJUQUUNAMHS-IAGOWNOFSA-N 2 0 344.459 1.430 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000195519327 139019369 /nfs/dbraw/zinc/01/93/69/139019369.db2.gz CVGPACBLGWNGPC-UHFFFAOYSA-N 2 0 347.459 1.348 20 0 EDADRP CC(C)C[C@@](C)(C[NH3+])NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236703579 139029069 /nfs/dbraw/zinc/02/90/69/139029069.db2.gz VYZFAIOWEDXGQT-FQEVSTJZSA-N 2 0 346.519 1.927 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000236836340 139033107 /nfs/dbraw/zinc/03/31/07/139033107.db2.gz VLJBZNLFUYAYGI-QGZVFWFLSA-N 2 0 332.492 1.688 20 0 EDADRP COCC[NH2+]CC(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000237173090 139042983 /nfs/dbraw/zinc/04/29/83/139042983.db2.gz IHGAKGCMTXZPSM-UHFFFAOYSA-N 2 0 339.867 1.657 20 0 EDADRP CN(C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC[NH2+]CC1 ZINC000237212954 139044485 /nfs/dbraw/zinc/04/44/85/139044485.db2.gz YIQLYHUGZIXWOY-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP CN(C(=O)CC1CC[NH2+]CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000237286416 139046559 /nfs/dbraw/zinc/04/65/59/139046559.db2.gz OOUBDKROFVJODG-UHFFFAOYSA-N 2 0 344.503 1.937 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C2([NH+]3CCN(C)CC3)CCCC2)C1 ZINC000369916573 284350718 /nfs/dbraw/zinc/35/07/18/284350718.db2.gz UUGBFZXFCQUVPW-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000111468260 220158821 /nfs/dbraw/zinc/15/88/21/220158821.db2.gz BRMISWUZYWHMIJ-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000237705788 139058307 /nfs/dbraw/zinc/05/83/07/139058307.db2.gz MFWBWQGFYLDPSD-GJZGRUSLSA-N 2 0 348.495 1.300 20 0 EDADRP O=C(CCC1CC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000237952788 139064872 /nfs/dbraw/zinc/06/48/72/139064872.db2.gz ZBPCPZZZAXBNLW-UHFFFAOYSA-N 2 0 337.508 1.918 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000238061448 139067903 /nfs/dbraw/zinc/06/79/03/139067903.db2.gz CQSGMCNVPJTELF-IAGOWNOFSA-N 2 0 333.501 1.862 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]([NH3+])CC ZINC000415238768 304177629 /nfs/dbraw/zinc/17/76/29/304177629.db2.gz MLIPCSQVAXUQNS-AWEZNQCLSA-N 2 0 349.479 1.696 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000568252785 306477337 /nfs/dbraw/zinc/47/73/37/306477337.db2.gz VWGQVJVXXUHQDQ-GDBMZVCRSA-N 2 0 325.478 1.084 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC(C)(C)C[NH3+])c2C1 ZINC000415377804 304208391 /nfs/dbraw/zinc/20/83/91/304208391.db2.gz GLQXJMAVPKVPGU-ZDUSSCGKSA-N 2 0 346.475 1.839 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247395912 139147294 /nfs/dbraw/zinc/14/72/94/139147294.db2.gz WMOGDHVGYXTXCN-SJORKVTESA-N 2 0 340.512 1.326 20 0 EDADRP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248400205 139162047 /nfs/dbraw/zinc/16/20/47/139162047.db2.gz KREKNQSFSPUVIG-IPMKNSEASA-N 2 0 330.472 1.886 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@H]12 ZINC000248576047 139168015 /nfs/dbraw/zinc/16/80/15/139168015.db2.gz DOYIFIUMSHGQJM-YTQUADARSA-N 2 0 342.487 1.394 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414915367 284731791 /nfs/dbraw/zinc/73/17/91/284731791.db2.gz ZHFRHDCFJUGPOX-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC000093133150 218195813 /nfs/dbraw/zinc/19/58/13/218195813.db2.gz MHBCVDRZPXNMKU-QGZVFWFLSA-N 2 0 333.476 1.916 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)[C@H]1c1ccccc1 ZINC000248961326 139181719 /nfs/dbraw/zinc/18/17/19/139181719.db2.gz HQOYSYXUZSPRKQ-DOTOQJQBSA-N 2 0 325.416 1.231 20 0 EDADRP C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249281418 139190238 /nfs/dbraw/zinc/19/02/38/139190238.db2.gz GNVOKXWXNIILJO-RYQLBKOJSA-N 2 0 333.476 1.641 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000415447052 304220658 /nfs/dbraw/zinc/22/06/58/304220658.db2.gz UBIRRWUHKTUXSR-GOEBONIOSA-N 2 0 346.475 1.315 20 0 EDADRP CN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261544963 139208642 /nfs/dbraw/zinc/20/86/42/139208642.db2.gz FKEWVBWRVSFUHF-GOSISDBHSA-N 2 0 331.460 1.488 20 0 EDADRP Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261625006 139212352 /nfs/dbraw/zinc/21/23/52/139212352.db2.gz GPTUBMSAMJIWMP-CYBMUJFWSA-N 2 0 348.472 1.998 20 0 EDADRP O=C(NC[C@H]1CCCN(Cc2nccn2C(F)F)C1)[C@H]1CCC[NH2+]1 ZINC000261617031 139211317 /nfs/dbraw/zinc/21/13/17/139211317.db2.gz FPTYLSMQSSNVQW-CHWSQXEVSA-N 2 0 341.406 1.358 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261618290 139211539 /nfs/dbraw/zinc/21/15/39/139211539.db2.gz FSRBKQKCIUKATJ-CQSZACIVSA-N 2 0 346.406 1.768 20 0 EDADRP CCCN(C1CC[NH2+]CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261660090 139215223 /nfs/dbraw/zinc/21/52/23/139215223.db2.gz IXFUDJFKSOCXGE-UHFFFAOYSA-N 2 0 339.505 1.901 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C(F)(F)F)c2)C1 ZINC000261820394 139228879 /nfs/dbraw/zinc/22/88/79/139228879.db2.gz WPNDFTWLFPHPCA-CYBMUJFWSA-N 2 0 329.366 1.992 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000261805409 139227518 /nfs/dbraw/zinc/22/75/18/139227518.db2.gz GAYVWNOKPBKZLK-INIZCTEOSA-N 2 0 341.459 1.368 20 0 EDADRP C[C@@H]([NH3+])CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000261899749 139235183 /nfs/dbraw/zinc/23/51/83/139235183.db2.gz UWIFZKWAJUYURK-CZUORRHYSA-N 2 0 332.448 1.529 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000262026102 139244865 /nfs/dbraw/zinc/24/48/65/139244865.db2.gz ZNJBXETXPZBSNS-UHFFFAOYSA-N 2 0 332.448 1.334 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1-n1cncn1 ZINC000262070908 139248463 /nfs/dbraw/zinc/24/84/63/139248463.db2.gz CELFBDHVKUBDNU-KRWDZBQOSA-N 2 0 326.448 1.055 20 0 EDADRP O=C(N1CCC[C@H]([NH+]2CCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000262074020 139248737 /nfs/dbraw/zinc/24/87/37/139248737.db2.gz BVTFDEDRYHZDCP-KRWDZBQOSA-N 2 0 345.491 1.439 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414904188 250884150 /nfs/dbraw/zinc/88/41/50/250884150.db2.gz MFNUXBIGFRKVSF-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)s2)cn1 ZINC000262098273 139250723 /nfs/dbraw/zinc/25/07/23/139250723.db2.gz IILJCTPMXPRUBQ-HNNXBMFYSA-N 2 0 331.489 1.628 20 0 EDADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000262137143 139254050 /nfs/dbraw/zinc/25/40/50/139254050.db2.gz OXOCSPDPTJDPSQ-YWPYICTPSA-N 2 0 325.840 1.535 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415556971 251009616 /nfs/dbraw/zinc/00/96/16/251009616.db2.gz SFOPVNWVXCOUTR-ZDUSSCGKSA-N 2 0 332.448 1.115 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC(C)(C)CCC[NH3+])ccc1C[NH+](C)C ZINC000415763179 251020959 /nfs/dbraw/zinc/02/09/59/251020959.db2.gz QKVOMICFWGJXMP-UHFFFAOYSA-N 2 0 334.464 1.629 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000262200879 139259463 /nfs/dbraw/zinc/25/94/63/139259463.db2.gz IEXCVBHOLWCNGS-GOSISDBHSA-N 2 0 345.487 1.913 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@H]21 ZINC000415945791 251037198 /nfs/dbraw/zinc/03/71/98/251037198.db2.gz LOTZUXOIUXZXBD-RHSMWYFYSA-N 2 0 332.448 1.972 20 0 EDADRP Cc1ccc([C@H]2CSCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000262224029 139261424 /nfs/dbraw/zinc/26/14/24/139261424.db2.gz UTWVAELSBMQAAS-QGZVFWFLSA-N 2 0 333.501 1.907 20 0 EDADRP [NH3+]Cc1cc(NC(=O)C2(C[NH3+])CCOCC2)cc(C(F)(F)F)c1 ZINC000262226276 139261596 /nfs/dbraw/zinc/26/15/96/139261596.db2.gz JWKIXKPXAZPKNR-UHFFFAOYSA-N 2 0 331.338 1.858 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000416992968 251121485 /nfs/dbraw/zinc/12/14/85/251121485.db2.gz PTMOKMTWAVWFGL-GOSISDBHSA-N 2 0 347.507 1.361 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCCCC[NH3+])[NH+]2CCCC2)cc1 ZINC000416829580 251111534 /nfs/dbraw/zinc/11/15/34/251111534.db2.gz TWRYMGQCIUYIGM-KRWDZBQOSA-N 2 0 334.464 1.870 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000416832898 251111642 /nfs/dbraw/zinc/11/16/42/251111642.db2.gz QSRVKIBWELRPFO-OWCLPIDISA-N 2 0 332.448 1.810 20 0 EDADRP COCC1(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000262318823 139269731 /nfs/dbraw/zinc/26/97/31/139269731.db2.gz BXFOZDXERRYEOS-IRXDYDNUSA-N 2 0 339.524 1.877 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262325747 139270488 /nfs/dbraw/zinc/27/04/88/139270488.db2.gz DLQDPECTABCMQI-WTLGNFPFSA-N 2 0 345.487 1.504 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417087857 251140817 /nfs/dbraw/zinc/14/08/17/251140817.db2.gz IFXJRAKMKWOLPP-OAHLLOKOSA-N 2 0 328.501 1.502 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccco1 ZINC000417314098 251155521 /nfs/dbraw/zinc/15/55/21/251155521.db2.gz QOUVUNRBHHEAOQ-VXGBXAGGSA-N 2 0 332.395 1.944 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262372821 139274160 /nfs/dbraw/zinc/27/41/60/139274160.db2.gz WJUOQVCJQMUFQB-QGZVFWFLSA-N 2 0 345.491 1.152 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417586679 251198656 /nfs/dbraw/zinc/19/86/56/251198656.db2.gz CJPLDXVJZZAHTG-HNNXBMFYSA-N 2 0 334.464 1.650 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@H]1CCC[N@@H+]1CCOC ZINC000417563604 251188744 /nfs/dbraw/zinc/18/87/44/251188744.db2.gz HGKOKBGAXWMYHC-AEFFLSMTSA-N 2 0 348.491 1.659 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC([NH3+])(CC)CC)[C@H](C)C1 ZINC000417664200 251219833 /nfs/dbraw/zinc/21/98/33/251219833.db2.gz BBJBTGBFPCSFKV-CVEARBPZSA-N 2 0 342.528 1.940 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417630400 251209197 /nfs/dbraw/zinc/20/91/97/251209197.db2.gz QWEMQPRROYRLIN-NVXWUHKLSA-N 2 0 347.507 1.319 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3C[C@H](O)C[NH2+]3)cc2)CC1 ZINC000262439633 139279076 /nfs/dbraw/zinc/27/90/76/139279076.db2.gz CPBUJBVHPXEVNJ-ROUUACIJSA-N 2 0 331.460 1.258 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262441485 139279241 /nfs/dbraw/zinc/27/92/41/139279241.db2.gz UXJMGPWFDBLDRL-INIZCTEOSA-N 2 0 349.500 1.861 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2=CC[NH2+]CC2)[C@H](C)C1 ZINC000417668275 251220780 /nfs/dbraw/zinc/22/07/80/251220780.db2.gz JBXFGXOFFPICQV-WBVHZDCISA-N 2 0 338.496 1.342 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCCO1 ZINC000417716548 251239151 /nfs/dbraw/zinc/23/91/51/251239151.db2.gz UNFJCSATWHMDHV-INIZCTEOSA-N 2 0 326.485 1.402 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262444519 139279370 /nfs/dbraw/zinc/27/93/70/139279370.db2.gz VGDSSHPCTBWCCB-NUJGCVRESA-N 2 0 345.487 1.638 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]([NH3+])c2ccccc2CC)C1(C)C ZINC000417827080 251286648 /nfs/dbraw/zinc/28/66/48/251286648.db2.gz FGMMDQRHGXAHCQ-FCEWJHQRSA-N 2 0 333.476 1.898 20 0 EDADRP COCC[C@]1(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)CC[NH2+]C1 ZINC000417838533 251292351 /nfs/dbraw/zinc/29/23/51/251292351.db2.gz NBJTUNPDAIZEID-MRXNPFEDSA-N 2 0 338.477 1.565 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)C ZINC000417785199 251269512 /nfs/dbraw/zinc/26/95/12/251269512.db2.gz BOEIGKHZBWPZQR-QGZVFWFLSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000417944575 251317343 /nfs/dbraw/zinc/31/73/43/251317343.db2.gz CMOYQQDUYUHIHX-NILFDRSVSA-N 2 0 340.855 1.358 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418078526 251320212 /nfs/dbraw/zinc/32/02/12/251320212.db2.gz WJEBDBMTCXXUNV-QZTJIDSGSA-N 2 0 346.475 1.314 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418110021 251325317 /nfs/dbraw/zinc/32/53/17/251325317.db2.gz VSVBMNOHNJXWBY-OKZBNKHCSA-N 2 0 328.460 1.369 20 0 EDADRP C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)C(C)(C)C[NH+](C)C ZINC000417850773 251296721 /nfs/dbraw/zinc/29/67/21/251296721.db2.gz FJMYABNXMDASDO-OAHLLOKOSA-N 2 0 335.496 1.837 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000417851426 251297365 /nfs/dbraw/zinc/29/73/65/251297365.db2.gz YPKAPOHGYBPZGL-YSHGAJCASA-N 2 0 342.487 1.900 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418426817 251369022 /nfs/dbraw/zinc/36/90/22/251369022.db2.gz KIXKNTFCZPYWSP-RDJZCZTQSA-N 2 0 333.480 1.012 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC[NH+](C)CC1 ZINC000418194327 251352779 /nfs/dbraw/zinc/35/27/79/251352779.db2.gz DJMISCYMMSKFBJ-UONOGXRCSA-N 2 0 328.526 1.583 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1)C(F)F ZINC000418706595 251390693 /nfs/dbraw/zinc/39/06/93/251390693.db2.gz HTOSJGLATQAZOY-CQSZACIVSA-N 2 0 348.438 1.113 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418582773 251379353 /nfs/dbraw/zinc/37/93/53/251379353.db2.gz VUFVEXAOIJGBIG-PBHICJAKSA-N 2 0 336.455 1.897 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC2)CC1 ZINC000418701035 251388325 /nfs/dbraw/zinc/38/83/25/251388325.db2.gz CKFBPXSKKBJXPU-RUXDESIVSA-N 2 0 332.439 1.875 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000418989867 251468932 /nfs/dbraw/zinc/46/89/32/251468932.db2.gz CCFHDTXRAQHCLG-HNNXBMFYSA-N 2 0 346.475 1.315 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000419669916 251531430 /nfs/dbraw/zinc/53/14/30/251531430.db2.gz VZWYHWOKELESMB-HOTGVXAUSA-N 2 0 340.512 1.245 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCCO[C@H]2CCOC2)CC[NH2+]CC1 ZINC000422876567 252007457 /nfs/dbraw/zinc/00/74/57/252007457.db2.gz QKZLXLBPMXWKKC-CABCVRRESA-N 2 0 328.453 1.093 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)ccn2)CC1 ZINC000422878332 252007641 /nfs/dbraw/zinc/00/76/41/252007641.db2.gz IZKPRUOHNBDTPP-GUDVDZBRSA-N 3 0 343.519 1.844 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)cn2)CC1 ZINC000422881952 252009225 /nfs/dbraw/zinc/00/92/25/252009225.db2.gz RIYGPDMCAUBYSH-WMZOPIPTSA-N 3 0 331.508 1.701 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000422903488 252017954 /nfs/dbraw/zinc/01/79/54/252017954.db2.gz WFQYRKVJJNRJJQ-IAGOWNOFSA-N 2 0 335.448 1.010 20 0 EDADRP C[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@H]1CCCC[NH2+]1 ZINC000423063284 252031849 /nfs/dbraw/zinc/03/18/49/252031849.db2.gz ONZRPCCIVSUUPG-HUUCEWRRSA-N 2 0 336.480 1.751 20 0 EDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150715 252038127 /nfs/dbraw/zinc/03/81/27/252038127.db2.gz BZRBATNATOVOIB-GHMZBOCLSA-N 2 0 345.256 1.937 20 0 EDADRP CC(C)C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[NH+](C)C ZINC000423321665 252046229 /nfs/dbraw/zinc/04/62/29/252046229.db2.gz NJUYHELKRGEMLN-HUUCEWRRSA-N 2 0 335.496 1.593 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000422906221 252018830 /nfs/dbraw/zinc/01/88/30/252018830.db2.gz UPMAGPWUWGXNPD-RHSMWYFYSA-N 2 0 339.505 1.602 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H](C[NH3+])OC)CC[N@@H+]2C2CC2)c1 ZINC000423837874 252087349 /nfs/dbraw/zinc/08/73/49/252087349.db2.gz XHFUETUUOYDSKW-YESZJQIVSA-N 2 0 333.432 1.063 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[NH+](CC)CC ZINC000423993924 252110095 /nfs/dbraw/zinc/11/00/95/252110095.db2.gz BJZPROGSNPVNNR-ZACQAIPSSA-N 2 0 325.497 1.852 20 0 EDADRP CCn1cc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000424022748 252117249 /nfs/dbraw/zinc/11/72/49/252117249.db2.gz UIQMKIDYKHHRSP-UHFFFAOYSA-N 2 0 341.459 1.626 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[C@H](C)[NH3+] ZINC000423791136 252075512 /nfs/dbraw/zinc/07/55/12/252075512.db2.gz GYDNUUWLQHMGBF-JQHSSLGASA-N 2 0 332.492 1.981 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423801508 252080883 /nfs/dbraw/zinc/08/08/83/252080883.db2.gz NDLIBIKQDPXRIX-HUUCEWRRSA-N 2 0 333.480 1.727 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)C[NH+]1CCCCC1 ZINC000424136165 252138882 /nfs/dbraw/zinc/13/88/82/252138882.db2.gz QLMAMDBQGYTONL-CABCVRRESA-N 2 0 334.468 1.054 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424147261 252143098 /nfs/dbraw/zinc/14/30/98/252143098.db2.gz RCJFCSXVRUOZPR-JKSUJKDBSA-N 2 0 347.507 1.691 20 0 EDADRP O=C(c1c[nH]nc1[C@H]1CCC[NH2+]C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000424150804 252145526 /nfs/dbraw/zinc/14/55/26/252145526.db2.gz ZMKRNHFJOPTAHO-GJZGRUSLSA-N 2 0 331.464 1.435 20 0 EDADRP C[N@H+](CCOc1cccc(CNC(=O)[C@@H]2C[C@@H]2[NH3+])c1)C1CCOCC1 ZINC000424155627 252147420 /nfs/dbraw/zinc/14/74/20/252147420.db2.gz NDQKJAWMUHQIQJ-MSOLQXFVSA-N 2 0 347.459 1.140 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218198 252164835 /nfs/dbraw/zinc/16/48/35/252164835.db2.gz RIBNMDCTVOHANO-GVDBMIGSSA-N 2 0 333.501 1.800 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000424080736 252127646 /nfs/dbraw/zinc/12/76/46/252127646.db2.gz VUTZOSMGJALXIP-VYDXJSESSA-N 2 0 345.491 1.279 20 0 EDADRP C[N@H+](CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424126068 252132553 /nfs/dbraw/zinc/13/25/53/252132553.db2.gz BCZZUPBIEKZMML-MRXNPFEDSA-N 2 0 348.495 1.587 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424134310 252135857 /nfs/dbraw/zinc/13/58/57/252135857.db2.gz NISVFYCMTUMRSI-MRXNPFEDSA-N 2 0 348.495 1.397 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424133868 252135965 /nfs/dbraw/zinc/13/59/65/252135965.db2.gz MVMVJTVWUPUDJD-MRXNPFEDSA-N 2 0 348.495 1.445 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228141 252171955 /nfs/dbraw/zinc/17/19/55/252171955.db2.gz VWMMHMNSIUBPIK-KRWDZBQOSA-N 2 0 339.443 1.220 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N2CC[NH+](C(C)(C)COC)CC2)cc1 ZINC000424418763 252220347 /nfs/dbraw/zinc/22/03/47/252220347.db2.gz QJQKTCXHAUWAKM-UHFFFAOYSA-N 2 0 334.464 1.981 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)c1 ZINC000424439980 252231016 /nfs/dbraw/zinc/23/10/16/252231016.db2.gz PNVBSQHDIYBUIE-HUUCEWRRSA-N 2 0 346.475 1.771 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[NH+]2CCC(C)CC2)c1 ZINC000424438370 252231269 /nfs/dbraw/zinc/23/12/69/252231269.db2.gz KZNPSLSPIGTBEK-UHFFFAOYSA-N 2 0 332.448 1.240 20 0 EDADRP c1c(C[NH2+][C@H]2CCCN(c3ncccn3)C2)onc1C1CC[NH2+]CC1 ZINC000425901790 252313941 /nfs/dbraw/zinc/31/39/41/252313941.db2.gz QKVYIGAOCUXIKA-HNNXBMFYSA-N 2 0 342.447 1.690 20 0 EDADRP COCCN1CCC([NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358046391 285012179 /nfs/dbraw/zinc/01/21/79/285012179.db2.gz ZFSWRQIXROYBOM-CALCHBBNSA-N 2 0 327.513 1.576 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112274069 220280481 /nfs/dbraw/zinc/28/04/81/220280481.db2.gz QWTSEJKPSULZLD-INIZCTEOSA-N 2 0 345.491 1.438 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000112742466 220393152 /nfs/dbraw/zinc/39/31/52/220393152.db2.gz XDUKIQFZQZVCAF-UHFFFAOYSA-N 2 0 348.491 1.864 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)N1CCOCC1 ZINC000487056442 255024098 /nfs/dbraw/zinc/02/40/98/255024098.db2.gz ITBZZZLCTGHIDU-IRXDYDNUSA-N 2 0 340.512 1.325 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1c(C)n[nH]c1C ZINC000337578499 285243696 /nfs/dbraw/zinc/24/36/96/285243696.db2.gz LENUQFOMEIJFQA-QGZVFWFLSA-N 2 0 349.523 1.834 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1O[C@H](C)C[C@H]1C ZINC000337452079 285247917 /nfs/dbraw/zinc/24/79/17/285247917.db2.gz UNTWKILZMZHRNC-QBPKDAKJSA-N 2 0 325.497 1.674 20 0 EDADRP COc1cc(C)cnc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000490022553 255076365 /nfs/dbraw/zinc/07/63/65/255076365.db2.gz BPKZAGRJVHMGKE-UHFFFAOYSA-N 2 0 336.480 1.744 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@H]1CCC[NH+]1C ZINC000264981751 285252587 /nfs/dbraw/zinc/25/25/87/285252587.db2.gz LNWKNWBKZGTZJA-QZTJIDSGSA-N 2 0 330.476 1.989 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)CC[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000494649962 255256394 /nfs/dbraw/zinc/25/63/94/255256394.db2.gz CJBCTEKJTXXVDP-KRWDZBQOSA-N 2 0 345.491 1.372 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH2+]2)[C@@H](C)C1 ZINC000494663218 255256990 /nfs/dbraw/zinc/25/69/90/255256990.db2.gz FCIAXXUBSRZNPK-BBWFWOEESA-N 2 0 325.497 1.772 20 0 EDADRP CN(C[C@H](O)C[NH2+]CCC[NH+]1CCCCC1)C(=O)OC(C)(C)C ZINC000496310265 255379129 /nfs/dbraw/zinc/37/91/29/255379129.db2.gz VBJZAZZCEAEKIG-OAHLLOKOSA-N 2 0 329.485 1.680 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@@H]([C@H]3CCOC3)C1)C[NH+]1CCC2CC1 ZINC000496278062 255374067 /nfs/dbraw/zinc/37/40/67/255374067.db2.gz WSJMQTVUCOBDBL-RVKKMQEKSA-N 2 0 335.448 1.219 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)C(F)(F)F ZINC000344637540 285278420 /nfs/dbraw/zinc/27/84/20/285278420.db2.gz YTXVOOCXWUVWQA-OLZOCXBDSA-N 2 0 338.418 1.995 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000415800897 304274458 /nfs/dbraw/zinc/27/44/58/304274458.db2.gz DVXRSWGIGBNCAM-HOCLYGCPSA-N 2 0 346.475 1.629 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000269290012 285322136 /nfs/dbraw/zinc/32/21/36/285322136.db2.gz KQTSAHRPUPFZTD-SJLPKXTDSA-N 2 0 332.492 1.119 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000264257168 139390919 /nfs/dbraw/zinc/39/09/19/139390919.db2.gz LBQZKIZZZFXYNK-SFHVURJKSA-N 2 0 330.476 1.780 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415885479 304284534 /nfs/dbraw/zinc/28/45/34/304284534.db2.gz RXZAWANDOBCFEJ-SFHVURJKSA-N 2 0 346.475 1.907 20 0 EDADRP C[C@@]1(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCOC1 ZINC000270382750 140089979 /nfs/dbraw/zinc/08/99/79/140089979.db2.gz WJBKHKNHBZLOST-GOSISDBHSA-N 2 0 347.463 1.072 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000271141275 140244576 /nfs/dbraw/zinc/24/45/76/140244576.db2.gz VIFTZYLMCYOKFC-QAPCUYQASA-N 2 0 348.491 1.113 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000271534213 140308490 /nfs/dbraw/zinc/30/84/90/140308490.db2.gz QAWSUVMVDADWHG-OAHLLOKOSA-N 2 0 336.480 1.759 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000416303568 304307289 /nfs/dbraw/zinc/30/72/89/304307289.db2.gz YAGGQDOPTOXVBS-DLBZAZTESA-N 2 0 327.513 1.802 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH2+][C@H](C)C3)c(C)c2)CC1 ZINC000333202461 141280513 /nfs/dbraw/zinc/28/05/13/141280513.db2.gz YGPBCKPTLCTUOB-MRXNPFEDSA-N 2 0 345.491 1.963 20 0 EDADRP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000333309353 141296712 /nfs/dbraw/zinc/29/67/12/141296712.db2.gz RKMKRBZJDHEZHD-HRCADAONSA-N 2 0 343.537 1.843 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333321982 141299211 /nfs/dbraw/zinc/29/92/11/141299211.db2.gz NCNAUHBXFMROKJ-GDBMZVCRSA-N 2 0 331.464 1.846 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)NC1CC[NH2+]CC1 ZINC000333378252 141308440 /nfs/dbraw/zinc/30/84/40/141308440.db2.gz NGQHJZXBTCSVHW-UHFFFAOYSA-N 2 0 338.496 1.320 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000333422319 141315251 /nfs/dbraw/zinc/31/52/51/141315251.db2.gz SROLUWJJJRAUBP-GJZGRUSLSA-N 2 0 340.537 1.869 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000333526079 141331870 /nfs/dbraw/zinc/33/18/70/141331870.db2.gz HGOSXBRJEMXYAM-LSDHHAIUSA-N 2 0 331.464 1.690 20 0 EDADRP C[C@@H](C(=O)N1CCCCCC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333614917 141344994 /nfs/dbraw/zinc/34/49/94/141344994.db2.gz SMSXPWQPKNSJQF-HNNXBMFYSA-N 2 0 345.491 1.914 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@H]1[C@H]1CCC[NH2+]C1 ZINC000333634358 141348093 /nfs/dbraw/zinc/34/80/93/141348093.db2.gz SYRAAIUMJGOAOW-IRXDYDNUSA-N 2 0 338.496 1.272 20 0 EDADRP COCC1(CNC(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000333754593 141373947 /nfs/dbraw/zinc/37/39/47/141373947.db2.gz ZOOBGTPONOAENW-INIZCTEOSA-N 2 0 338.496 1.034 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000333767750 141376741 /nfs/dbraw/zinc/37/67/41/141376741.db2.gz BMXPRFMMYROKDL-NVXWUHKLSA-N 2 0 338.496 1.258 20 0 EDADRP COCC1(CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC[NH2+]CC1 ZINC000333850354 141394123 /nfs/dbraw/zinc/39/41/23/141394123.db2.gz PXQUXZUKVBFSLK-CVEARBPZSA-N 2 0 338.496 1.128 20 0 EDADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000339277022 142000882 /nfs/dbraw/zinc/00/08/82/142000882.db2.gz WKXDEFIZQLLUSW-CVEARBPZSA-N 2 0 326.481 1.935 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000339753754 142145683 /nfs/dbraw/zinc/14/56/83/142145683.db2.gz NVGXWWIDOWVHGZ-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340120085 142272033 /nfs/dbraw/zinc/27/20/33/142272033.db2.gz QIZIDBWEVQEZHQ-WMZOPIPTSA-N 3 0 345.491 1.085 20 0 EDADRP C(=C\CN1CC[NH+](C2CCC2)CC1)\CN1CC[NH+](C2CCC2)CC1 ZINC000340196030 142299163 /nfs/dbraw/zinc/29/91/63/142299163.db2.gz NTRKIHVXSOIOEO-UPHRSURJSA-N 2 0 332.536 1.883 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1)C(C)C ZINC000340213117 142305728 /nfs/dbraw/zinc/30/57/28/142305728.db2.gz SZAACQCROZMBLE-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H](C[NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cc1 ZINC000345399802 143086616 /nfs/dbraw/zinc/08/66/16/143086616.db2.gz ZITNDCJNLRDPSO-KRWDZBQOSA-N 2 0 337.483 1.909 20 0 EDADRP CCC[N@@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(C)C ZINC000346597835 143220636 /nfs/dbraw/zinc/22/06/36/143220636.db2.gz WUBGHUYOYYYWDR-KRWDZBQOSA-N 2 0 327.513 1.827 20 0 EDADRP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347092855 143281777 /nfs/dbraw/zinc/28/17/77/143281777.db2.gz GHGQWIBBCLVHNK-MRXNPFEDSA-N 2 0 349.475 1.771 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC000347233485 143298143 /nfs/dbraw/zinc/29/81/43/143298143.db2.gz FQDHIGBRPTVUIL-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000347442277 143321531 /nfs/dbraw/zinc/32/15/31/143321531.db2.gz XCACOVQFJUBOPT-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000349608776 143501346 /nfs/dbraw/zinc/50/13/46/143501346.db2.gz GUKWSINVWKFXTC-OIISXLGYSA-N 2 0 340.512 1.394 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000572601967 306594522 /nfs/dbraw/zinc/59/45/22/306594522.db2.gz COILDQZQTFTZQX-LSDHHAIUSA-N 2 0 348.491 1.387 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369721618 155148540 /nfs/dbraw/zinc/14/85/40/155148540.db2.gz FZQKLDPBLDOUBA-QXAKKESOSA-N 2 0 346.519 1.987 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCCO1 ZINC000416823257 304350180 /nfs/dbraw/zinc/35/01/80/304350180.db2.gz GSLUNVXMIXRYFG-CABCVRRESA-N 2 0 336.436 1.176 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000416842256 304350499 /nfs/dbraw/zinc/35/04/99/304350499.db2.gz MYZCQIFLTDSLPI-SQNIBIBYSA-N 2 0 332.492 1.976 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]1CCCC1 ZINC000416843531 304351131 /nfs/dbraw/zinc/35/11/31/304351131.db2.gz OVFRTSZBTLXFRF-OAHLLOKOSA-N 2 0 334.464 1.869 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000458412824 286058628 /nfs/dbraw/zinc/05/86/28/286058628.db2.gz OPBZJCQEQGJQQH-JKSUJKDBSA-N 2 0 342.528 1.763 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@H](C[NH3+])C1CC1)[NH+]1CCCC1 ZINC000416857206 304352378 /nfs/dbraw/zinc/35/23/78/304352378.db2.gz YAJPICDQWTYWDK-SJORKVTESA-N 2 0 346.475 1.869 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416859275 304352540 /nfs/dbraw/zinc/35/25/40/304352540.db2.gz ZUKGBXJXLAPVGA-KBPBESRZSA-N 2 0 328.407 1.441 20 0 EDADRP CC[NH+]1CCN(CCOCCN2CC[N@@H+](CC)C[C@@H]2C)[C@H](C)C1 ZINC000352657364 149103176 /nfs/dbraw/zinc/10/31/76/149103176.db2.gz ABDRTVABISPOOQ-HDICACEKSA-N 2 0 326.529 1.055 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000353084654 149280180 /nfs/dbraw/zinc/28/01/80/149280180.db2.gz GNQLYHSIDJWWQD-OAHLLOKOSA-N 2 0 342.553 1.987 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000416963092 304355919 /nfs/dbraw/zinc/35/59/19/304355919.db2.gz BAAKZBNACDBIGN-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H](C[NH3+])CC(C)C)[NH+]1CCOCC1 ZINC000416961526 304355749 /nfs/dbraw/zinc/35/57/49/304355749.db2.gz SIGSPVTXCYMVOJ-SJORKVTESA-N 2 0 342.528 1.796 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1 ZINC000416973153 304358366 /nfs/dbraw/zinc/35/83/66/304358366.db2.gz IIDWKOCCIQKSIS-SZMVWBNQSA-N 2 0 346.475 1.506 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000416973681 304358577 /nfs/dbraw/zinc/35/85/77/304358577.db2.gz KAXHHIYABHHOCD-KRWDZBQOSA-N 2 0 333.480 1.012 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1CN2CCN1CC2)[N@H+](C)Cc1ccccc1 ZINC000355192192 150159720 /nfs/dbraw/zinc/15/97/20/150159720.db2.gz UBMLWMCSLGMMFV-MSOLQXFVSA-N 2 0 330.476 1.013 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417033899 304363605 /nfs/dbraw/zinc/36/36/05/304363605.db2.gz ZPKUJTBDRVLPER-GOSISDBHSA-N 2 0 347.507 1.481 20 0 EDADRP CSC1(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC[NH+](C)CC1 ZINC000357957942 151210441 /nfs/dbraw/zinc/21/04/41/151210441.db2.gz MTZQHSFEGDBVAC-ZDUSSCGKSA-N 2 0 328.526 1.596 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)c2ccc(C[NH+]3CCSCC3)cc2)C1 ZINC000358066515 151255930 /nfs/dbraw/zinc/25/59/30/151255930.db2.gz OBMOZKGLPYSAAW-GOSISDBHSA-N 2 0 349.500 1.032 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417076209 304370472 /nfs/dbraw/zinc/37/04/72/304370472.db2.gz JZKSNPJIDXLPLU-XLAORIBOSA-N 2 0 328.460 1.668 20 0 EDADRP COCCN1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000358228805 151313011 /nfs/dbraw/zinc/31/30/11/151313011.db2.gz VVHNNCGOFLLSBO-SFHVURJKSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000360396003 152020375 /nfs/dbraw/zinc/02/03/75/152020375.db2.gz KTCVBHULQJRQIL-LZWOXQAQSA-N 2 0 326.510 1.350 20 0 EDADRP O=C(N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1(N2CCOCC2)CCC1 ZINC000360551025 152091353 /nfs/dbraw/zinc/09/13/53/152091353.db2.gz RFBYTBBWNKIXRR-FUHWJXTLSA-N 2 0 347.503 1.717 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360745766 152181930 /nfs/dbraw/zinc/18/19/30/152181930.db2.gz NDJDNXYILYIISI-WBVHZDCISA-N 2 0 342.553 1.940 20 0 EDADRP COCC1=CCN(CC(=O)N2CCN(Cc3ccsc3)CC2)CC1 ZINC000360780512 152201664 /nfs/dbraw/zinc/20/16/64/152201664.db2.gz HJPPKTJXXBCUQC-UHFFFAOYSA-N 2 0 349.500 1.671 20 0 EDADRP C[C@H]([NH2+]CCN1CCOC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000361108370 152307358 /nfs/dbraw/zinc/30/73/58/152307358.db2.gz CCCFCCMRWHJGME-IRXDYDNUSA-N 2 0 335.492 1.998 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCC1 ZINC000417151158 304378014 /nfs/dbraw/zinc/37/80/14/304378014.db2.gz GYHOHAGEPXWVMO-UHFFFAOYSA-N 2 0 334.439 1.971 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(CC[N@@H+]3CCCOCC3)CC2)CC1 ZINC000361328735 152362767 /nfs/dbraw/zinc/36/27/67/152362767.db2.gz QCUIWHMWPHBJMT-UHFFFAOYSA-N 2 0 338.540 1.199 20 0 EDADRP CC(=O)NC1CCC([NH2+][C@H](CC(C)C)C(=O)NCC[NH+](C)C)CC1 ZINC000361436221 152395000 /nfs/dbraw/zinc/39/50/00/152395000.db2.gz SBHKVEAEBRYGSI-OFLPRAFFSA-N 2 0 340.512 1.116 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417166862 304380124 /nfs/dbraw/zinc/38/01/24/304380124.db2.gz YKCKCOQDPHVATI-IAGOWNOFSA-N 2 0 334.508 1.892 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000574159800 306644059 /nfs/dbraw/zinc/64/40/59/306644059.db2.gz KIEZEBWPOMMQEI-WMZOPIPTSA-N 2 0 339.443 1.506 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc(F)cc1 ZINC000417180316 304380989 /nfs/dbraw/zinc/38/09/89/304380989.db2.gz QQHMGJMNTCUYMT-CVEARBPZSA-N 2 0 338.427 1.188 20 0 EDADRP [NH3+]Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)co1 ZINC000364194183 153169196 /nfs/dbraw/zinc/16/91/96/153169196.db2.gz GXTCFEOBTUDPOI-CJNGLKHVSA-N 2 0 335.354 1.892 20 0 EDADRP CCCC[N@H+](CCOC)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000364357635 153215151 /nfs/dbraw/zinc/21/51/51/153215151.db2.gz JIBWXOCPTJDQJH-KRWDZBQOSA-N 2 0 343.512 1.208 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424474039 286362720 /nfs/dbraw/zinc/36/27/20/286362720.db2.gz HOBZEFFPCASBBZ-MLHJIOFPSA-N 2 0 346.475 1.710 20 0 EDADRP COC[C@@]1(CNC(=O)NCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417233101 304386584 /nfs/dbraw/zinc/38/65/84/304386584.db2.gz RKGUEUMIWGMOAW-SFHVURJKSA-N 2 0 334.464 1.186 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000367579234 154183522 /nfs/dbraw/zinc/18/35/22/154183522.db2.gz YXHQZMYERPHUSA-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000367619231 154201670 /nfs/dbraw/zinc/20/16/70/154201670.db2.gz VGUCAVSKMMFXLB-IKGGRYGDSA-N 2 0 337.489 1.339 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417345135 304393206 /nfs/dbraw/zinc/39/32/06/304393206.db2.gz UAOUGJRQBPAGKF-JXFKEZNVSA-N 2 0 342.487 1.828 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1[NH+](C)C ZINC000369501804 155061127 /nfs/dbraw/zinc/06/11/27/155061127.db2.gz URKDFTZUHIOYSJ-ZWKOTPCHSA-N 2 0 348.491 1.218 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369561891 155088078 /nfs/dbraw/zinc/08/80/78/155088078.db2.gz QCBLATYAFJEEBK-UAGQMJEPSA-N 2 0 331.464 1.506 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000574812100 306657346 /nfs/dbraw/zinc/65/73/46/306657346.db2.gz OLNQWNHSCKCWIX-KURKYZTESA-N 2 0 329.444 1.056 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417476062 304398711 /nfs/dbraw/zinc/39/87/11/304398711.db2.gz CGFCODQOFGBKEA-MAUKXSAKSA-N 2 0 348.491 1.814 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NCc2ccc(OC(F)F)cc2)CC1 ZINC000574921636 306660276 /nfs/dbraw/zinc/66/02/76/306660276.db2.gz ILILAEGKFKNVOB-UHFFFAOYSA-N 2 0 341.402 1.965 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@H]3C[C@H]3c3cccc(O)c3)C2)CC1 ZINC000371792327 156107576 /nfs/dbraw/zinc/10/75/76/156107576.db2.gz JHAYCRUQGOUODU-SNRMKQJTSA-N 2 0 343.471 1.780 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@H]2C[NH+](C(C)C)C[C@@H]2C)CC1 ZINC000371950760 156179444 /nfs/dbraw/zinc/17/94/44/156179444.db2.gz OEDAWGPLKJAGRU-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H]1CN(CC[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)CCO1 ZINC000374302043 157232723 /nfs/dbraw/zinc/23/27/23/157232723.db2.gz LDBJCSWFPKTKSE-KRWDZBQOSA-N 2 0 325.497 1.141 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376320488 157763059 /nfs/dbraw/zinc/76/30/59/157763059.db2.gz HRHPFOZIZXLISJ-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1cc(F)cc(F)c1 ZINC000352503916 162217913 /nfs/dbraw/zinc/21/79/13/162217913.db2.gz LKNFNGANEQXRNR-INIZCTEOSA-N 2 0 338.402 1.273 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000361880051 162305423 /nfs/dbraw/zinc/30/54/23/162305423.db2.gz KGGUNDGRKLGIPK-OAHLLOKOSA-N 2 0 331.460 1.921 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366453437 162383463 /nfs/dbraw/zinc/38/34/63/162383463.db2.gz AUTVMKLPTAJJSW-QGZVFWFLSA-N 2 0 336.524 1.489 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000067612936 287246322 /nfs/dbraw/zinc/24/63/22/287246322.db2.gz VGQZZQQNBSIBHF-QGZVFWFLSA-N 2 0 338.496 1.005 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000073618785 287262200 /nfs/dbraw/zinc/26/22/00/287262200.db2.gz OWBWQUUBAVYDGF-KRWDZBQOSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H](CNC(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000074109231 287267439 /nfs/dbraw/zinc/26/74/39/287267439.db2.gz QXOSPHBOPJFUHY-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc2ccccc2s1 ZINC000077750919 287289695 /nfs/dbraw/zinc/28/96/95/287289695.db2.gz HHVFOJIXBMKXNO-UHFFFAOYSA-N 2 0 349.504 1.931 20 0 EDADRP C[C@@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000169286513 226236711 /nfs/dbraw/zinc/23/67/11/226236711.db2.gz ZFKVGBWKZKFQLF-QAPCUYQASA-N 2 0 331.460 1.646 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCC(C)(C)[NH3+] ZINC000418413896 304493637 /nfs/dbraw/zinc/49/36/37/304493637.db2.gz KMEXDVODGHQUFX-UHFFFAOYSA-N 2 0 328.407 1.775 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418416830 304493855 /nfs/dbraw/zinc/49/38/55/304493855.db2.gz UQJNSAUODIWVGX-MVZVEYBKSA-N 2 0 334.508 1.957 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418431523 304494947 /nfs/dbraw/zinc/49/49/47/304494947.db2.gz QZQAPRPYIHHJAK-QAPCUYQASA-N 2 0 348.491 1.421 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000237548370 273010709 /nfs/dbraw/zinc/01/07/09/273010709.db2.gz HBOUAMHDGYLDAW-ZACQAIPSSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000274195376 273076729 /nfs/dbraw/zinc/07/67/29/273076729.db2.gz PIIICVWGHADSAC-YJBOKZPZSA-N 2 0 330.476 1.900 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCSC[C@H]2c2ccccc2)CC1 ZINC000275239516 273108818 /nfs/dbraw/zinc/10/88/18/273108818.db2.gz MWLAYXRCIJOHAX-KRWDZBQOSA-N 2 0 333.501 1.941 20 0 EDADRP COC1(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000276930637 273169869 /nfs/dbraw/zinc/16/98/69/273169869.db2.gz ADTPYGGYILYJKJ-UHFFFAOYSA-N 2 0 347.503 1.589 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000278937724 273273967 /nfs/dbraw/zinc/27/39/67/273273967.db2.gz FUHJKEPPPAFYDK-HNNXBMFYSA-N 2 0 327.432 1.478 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@](C)(O)CC1)c1ccccc1 ZINC000280163558 273346706 /nfs/dbraw/zinc/34/67/06/273346706.db2.gz SESNOWMYXDQOKB-PKOBYXMFSA-N 2 0 333.476 1.642 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCC[NH2+]C1 ZINC000178832553 274983305 /nfs/dbraw/zinc/98/33/05/274983305.db2.gz SPMGCFCKMXVWGZ-INIZCTEOSA-N 2 0 331.460 1.259 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@H](C)C1 ZINC000336857304 276225503 /nfs/dbraw/zinc/22/55/03/276225503.db2.gz RKVHUEGBMHBCEK-OAGGEKHMSA-N 2 0 331.526 1.320 20 0 EDADRP CCC[C@H](C(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000305720828 276282164 /nfs/dbraw/zinc/28/21/64/276282164.db2.gz PDNZQHWFFNTXDD-KZNAEPCWSA-N 2 0 333.476 1.468 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C)nn3C2)[C@@H](C)C1 ZINC000361024446 276316172 /nfs/dbraw/zinc/31/61/72/276316172.db2.gz YKMSMJKPXXNNSV-XIRDDKMYSA-N 2 0 335.496 1.628 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC[C@@H]2OC)CC1 ZINC000449452582 276388470 /nfs/dbraw/zinc/38/84/70/276388470.db2.gz GIJJNSKZCBOKQW-ICSRJNTNSA-N 2 0 347.503 1.970 20 0 EDADRP COC(=O)[C@H](C)C[NH+]1CCC2(CC[N@@H+](C[C@H](C)C(=O)OC)C2)CC1 ZINC000367001971 277116342 /nfs/dbraw/zinc/11/63/42/277116342.db2.gz IIODMKIUWRPKBV-CABCVRRESA-N 2 0 340.464 1.393 20 0 EDADRP COC1(C(=O)N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]CC1 ZINC000166449925 277179750 /nfs/dbraw/zinc/17/97/50/277179750.db2.gz YPICGSHEVXLCOC-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)CC1 ZINC000417442008 277206605 /nfs/dbraw/zinc/20/66/05/277206605.db2.gz SDOPVQJSNAESAI-BHYGNILZSA-N 2 0 338.496 1.256 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000377279981 277609119 /nfs/dbraw/zinc/60/91/19/277609119.db2.gz XNXNCAASCQTDKO-SFHVURJKSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000417873900 278019968 /nfs/dbraw/zinc/01/99/68/278019968.db2.gz MJDRQRJNDTXFAG-OWYHZJEWSA-N 2 0 342.487 1.900 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000496116955 279038165 /nfs/dbraw/zinc/03/81/65/279038165.db2.gz AHHSKCGXPPLAFU-HRCADAONSA-N 2 0 343.512 1.924 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424137261 279135320 /nfs/dbraw/zinc/13/53/20/279135320.db2.gz BWBACHCNZXXEEW-CVEARBPZSA-N 2 0 347.507 1.691 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])COC)c1ccccc1Cl ZINC000263228177 279147030 /nfs/dbraw/zinc/14/70/30/279147030.db2.gz HGPRBHWUXVNWHK-GJZGRUSLSA-N 2 0 327.856 1.813 20 0 EDADRP CCN(CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000316447822 279184933 /nfs/dbraw/zinc/18/49/33/279184933.db2.gz FWQSOKDBVBAPKU-HRCADAONSA-N 2 0 331.526 1.558 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)C1C[NH2+]C1 ZINC000357246518 279222997 /nfs/dbraw/zinc/22/29/97/279222997.db2.gz XSVKAEOOHUEYGM-LPHOPBHVSA-N 2 0 344.503 1.337 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000424466110 279668807 /nfs/dbraw/zinc/66/88/07/279668807.db2.gz SVLUUYFZKXVSRM-QBPKDAKJSA-N 2 0 338.496 1.323 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000331769710 279745178 /nfs/dbraw/zinc/74/51/78/279745178.db2.gz BVPLLMWLTNLWKQ-YESZJQIVSA-N 2 0 343.537 1.699 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139533 279826936 /nfs/dbraw/zinc/82/69/36/279826936.db2.gz VNGDMKPRMQMHPP-MRXNPFEDSA-N 2 0 346.479 1.339 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCN1CCOC(C)(C)C1 ZINC000372065125 288194033 /nfs/dbraw/zinc/19/40/33/288194033.db2.gz NKEPPEGEWXLKLA-FGTMMUONSA-N 2 0 339.524 1.576 20 0 EDADRP Cc1cc(N2CC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)n(C)n1 ZINC000420341742 280567493 /nfs/dbraw/zinc/56/74/93/280567493.db2.gz VQOKMENPHNYZTO-JKSUJKDBSA-N 2 0 331.464 1.298 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333918546 288321843 /nfs/dbraw/zinc/32/18/43/288321843.db2.gz OHZXVMPRUXIFNN-CVEARBPZSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287889577 288348667 /nfs/dbraw/zinc/34/86/67/288348667.db2.gz YXKMGBYXIHTFLO-DLBZAZTESA-N 2 0 342.491 1.801 20 0 EDADRP C[NH+](C)C1CCN(CC2(CN3CCC([NH+](C)C)CC3)COC2)CC1 ZINC000182055904 289067682 /nfs/dbraw/zinc/06/76/82/289067682.db2.gz FXOMMHIZPXXQGE-UHFFFAOYSA-N 2 0 338.540 1.055 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000365446038 289226055 /nfs/dbraw/zinc/22/60/55/289226055.db2.gz XYUDZCXJASSJOF-KRWDZBQOSA-N 2 0 345.487 1.933 20 0 EDADRP COc1cc(CNC(=O)CC[C@@H]2CCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000291993852 289234633 /nfs/dbraw/zinc/23/46/33/289234633.db2.gz BMOYTPGQIYQZRD-INIZCTEOSA-N 2 0 349.475 1.784 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1cccs1 ZINC000262732767 289363436 /nfs/dbraw/zinc/36/34/36/289363436.db2.gz IFQOXNFVCNQALW-DZGCQCFKSA-N 2 0 347.488 1.902 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)[C@@H](C)C1 ZINC000353028615 290095708 /nfs/dbraw/zinc/09/57/08/290095708.db2.gz BVXDSNKWBQXYKT-YVSFHVDLSA-N 2 0 340.512 1.346 20 0 EDADRP COc1ccc(/C=C\C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000492272547 295054469 /nfs/dbraw/zinc/05/44/69/295054469.db2.gz NMWWYLPEITUACG-NTMALXAHSA-N 2 0 349.475 1.669 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)Cc2ccccc2C1 ZINC000375068762 295204815 /nfs/dbraw/zinc/20/48/15/295204815.db2.gz FBHISKGWUZIEHQ-UHFFFAOYSA-N 2 0 325.387 1.906 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000416829047 295213359 /nfs/dbraw/zinc/21/33/59/295213359.db2.gz SVVXMRSGEXCSEF-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP [NH3+]C1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000333941834 295213482 /nfs/dbraw/zinc/21/34/82/295213482.db2.gz PKGKYXFEBXTCSE-UHFFFAOYSA-N 2 0 326.510 1.481 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000333665946 295224215 /nfs/dbraw/zinc/22/42/15/295224215.db2.gz MISKFPJYGKBTNC-RNJTYBCJSA-N 2 0 346.475 1.519 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC[NH+](C)CC1 ZINC000418195746 295579724 /nfs/dbraw/zinc/57/97/24/295579724.db2.gz GKRWQYAEKLQJIS-KBPBESRZSA-N 2 0 328.526 1.631 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419001744 304555702 /nfs/dbraw/zinc/55/57/02/304555702.db2.gz BCDOEHICWYGSNE-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000419128795 304567842 /nfs/dbraw/zinc/56/78/42/304567842.db2.gz BYDKHOHMJQGVGY-HZPDHXFCSA-N 2 0 348.491 1.285 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000419831287 304692309 /nfs/dbraw/zinc/69/23/09/304692309.db2.gz WYMKNBUYEANWMU-CABCVRRESA-N 2 0 338.496 1.095 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C[C@H](C)COC)CC2)CC1 ZINC000422026153 447314070 /nfs/dbraw/zinc/31/40/70/447314070.db2.gz UICROVCPOBNOKH-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C\C[NH+](C)C ZINC000493396857 447317647 /nfs/dbraw/zinc/31/76/47/447317647.db2.gz UZGCPFFSYSVSCM-RHCWDJOHSA-N 2 0 333.480 1.379 20 0 EDADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751264 447320576 /nfs/dbraw/zinc/32/05/76/447320576.db2.gz ABVQKBMBPGLPJU-MSOLQXFVSA-N 2 0 333.476 1.373 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1 ZINC000414753249 447322998 /nfs/dbraw/zinc/32/29/98/447322998.db2.gz QATBMLWMPAZVQN-MRXNPFEDSA-N 2 0 334.464 1.437 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccc2c(c1)NC(=O)CO2)CC[NH+](C)C ZINC000294057182 303056716 /nfs/dbraw/zinc/05/67/16/303056716.db2.gz XMECVZYSKPXOTJ-UHFFFAOYSA-N 2 0 334.464 1.333 20 0 EDADRP c1cc(N2CCC([NH2+]C[C@@H]3COC4(CCOCC4)O3)CC2)cc[nH+]1 ZINC000294285553 303087069 /nfs/dbraw/zinc/08/70/69/303087069.db2.gz TVLKMOFKFNUUEM-QGZVFWFLSA-N 2 0 333.432 1.562 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@@H]1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000343281943 303090636 /nfs/dbraw/zinc/09/06/36/303090636.db2.gz QQOUQHFZSHERNX-MJGOQNOKSA-N 2 0 348.491 1.542 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000417010522 303398470 /nfs/dbraw/zinc/39/84/70/303398470.db2.gz PJZVDXNSCKBHDH-WMZOPIPTSA-N 2 0 330.476 1.861 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377738471 447328779 /nfs/dbraw/zinc/32/87/79/447328779.db2.gz PLLYKPVLLLXWJA-SFHVURJKSA-N 2 0 343.487 1.816 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@H](OC)C2(CC)CC)CC1 ZINC000411631292 303901683 /nfs/dbraw/zinc/90/16/83/303901683.db2.gz MBSHMPITDCWSBR-CVEARBPZSA-N 2 0 325.497 1.770 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000377759076 447340729 /nfs/dbraw/zinc/34/07/29/447340729.db2.gz YLURBMZLZZAKQZ-ZWKOTPCHSA-N 2 0 342.487 1.510 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000414884957 447343962 /nfs/dbraw/zinc/34/39/62/447343962.db2.gz OQGCZEZWZCTOFA-CQSZACIVSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1(F)F ZINC000421754447 304812136 /nfs/dbraw/zinc/81/21/36/304812136.db2.gz BNFLMOAPDISLAV-INIZCTEOSA-N 2 0 338.402 1.755 20 0 EDADRP O=C(NCCC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960671 304881097 /nfs/dbraw/zinc/88/10/97/304881097.db2.gz XFKYALFEDQIHRN-FGTMMUONSA-N 2 0 349.450 1.692 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000422996221 304882561 /nfs/dbraw/zinc/88/25/61/304882561.db2.gz LJKAWSOEWNOIGL-ZIAGYGMSSA-N 2 0 345.534 1.750 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000423137904 304888292 /nfs/dbraw/zinc/88/82/92/304888292.db2.gz XGKPKXFEIRKCSN-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423313790 304892271 /nfs/dbraw/zinc/89/22/71/304892271.db2.gz UWCQNXAVOCCADG-GOSISDBHSA-N 2 0 341.459 1.799 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[NH2+]C1 ZINC000423376903 304893844 /nfs/dbraw/zinc/89/38/44/304893844.db2.gz JGSJHAWVLBTOKF-GOSISDBHSA-N 2 0 349.500 1.800 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423418305 304895150 /nfs/dbraw/zinc/89/51/50/304895150.db2.gz HRVYUMSARSDXMZ-SLEUVZQESA-N 2 0 325.250 1.476 20 0 EDADRP C[NH+](C)CCN(C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C1CCCC1 ZINC000423709369 304905010 /nfs/dbraw/zinc/90/50/10/304905010.db2.gz IPFLIZHBGNLUCJ-INIZCTEOSA-N 2 0 333.480 1.754 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000423725543 304906031 /nfs/dbraw/zinc/90/60/31/304906031.db2.gz JCRLYQFWDGYZQA-QGZVFWFLSA-N 2 0 339.443 1.862 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000423741073 304907261 /nfs/dbraw/zinc/90/72/61/304907261.db2.gz XTQQWWFHXKMPIP-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000426145949 304979549 /nfs/dbraw/zinc/97/95/49/304979549.db2.gz PLEMEJYWEFWUPZ-QZTJIDSGSA-N 2 0 338.540 1.735 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027501 305023124 /nfs/dbraw/zinc/02/31/24/305023124.db2.gz ZWLNIIVYGJTCES-IBGZPJMESA-N 2 0 329.444 1.403 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H](C)C1 ZINC000429806709 305037597 /nfs/dbraw/zinc/03/75/97/305037597.db2.gz XLKQJTOOUMNWBM-MAUKXSAKSA-N 2 0 336.524 1.392 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@@H]2C[NH3+])CC1 ZINC000430589407 305057545 /nfs/dbraw/zinc/05/75/45/305057545.db2.gz AJGKARNKPIGVSF-LJQANCHMSA-N 2 0 344.503 1.452 20 0 EDADRP COc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000430621521 305059560 /nfs/dbraw/zinc/05/95/60/305059560.db2.gz DLQVHGOANWQFND-NVXWUHKLSA-N 2 0 331.460 1.900 20 0 EDADRP CC(C)[C@@H](CNC(=O)COC1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000430701183 305062793 /nfs/dbraw/zinc/06/27/93/305062793.db2.gz DAPBADNZEITGMW-GOSISDBHSA-N 2 0 331.460 1.174 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771118 305064540 /nfs/dbraw/zinc/06/45/40/305064540.db2.gz BGNULFIIJCFPAO-UYAOXDASSA-N 2 0 345.487 1.783 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430773073 305064599 /nfs/dbraw/zinc/06/45/99/305064599.db2.gz PYAUOYFXZVRCFH-GVDBMIGSSA-N 2 0 325.497 1.772 20 0 EDADRP Cc1c(C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000430811988 305065072 /nfs/dbraw/zinc/06/50/72/305065072.db2.gz SWTRMLVTCNCNTG-OAHLLOKOSA-N 2 0 346.479 1.069 20 0 EDADRP O=C(COC1C[NH2+]C1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000430864756 305066342 /nfs/dbraw/zinc/06/63/42/305066342.db2.gz LVWQDOLNHWMZKW-UHFFFAOYSA-N 2 0 335.473 1.205 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@@H]([NH3+])c1ccccc1 ZINC000430894251 305067206 /nfs/dbraw/zinc/06/72/06/305067206.db2.gz LYNUEJUOOMYOOW-BHYGNILZSA-N 2 0 346.475 1.026 20 0 EDADRP CC(C)([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000430915106 305067762 /nfs/dbraw/zinc/06/77/62/305067762.db2.gz OHSXKNZCMKEMMZ-UHFFFAOYSA-N 2 0 332.448 1.102 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000430936090 305069325 /nfs/dbraw/zinc/06/93/25/305069325.db2.gz WZNGPPMTUIUXGZ-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431015218 305072959 /nfs/dbraw/zinc/07/29/59/305072959.db2.gz SNALIUHFXQNBAL-ZWKOTPCHSA-N 2 0 338.540 1.818 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(-n3cncn3)cc2)CCCO1 ZINC000432346689 305091867 /nfs/dbraw/zinc/09/18/67/305091867.db2.gz MEMATGPHHTVCEV-MRXNPFEDSA-N 2 0 329.448 1.858 20 0 EDADRP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)C[NH+]1CCCC1 ZINC000432851967 305096154 /nfs/dbraw/zinc/09/61/54/305096154.db2.gz DAOGTOPOFKQGCZ-OAHLLOKOSA-N 2 0 339.505 1.758 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC[C@H](Nc3ccccc3)C2)CC1 ZINC000433147323 305101742 /nfs/dbraw/zinc/10/17/42/305101742.db2.gz YDXMYUZOVHVOHR-SFHVURJKSA-N 2 0 330.476 1.903 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@@H]2n2cccn2)CC1 ZINC000433156369 305101864 /nfs/dbraw/zinc/10/18/64/305101864.db2.gz BBAHZRYCUHQKAL-IRXDYDNUSA-N 2 0 333.480 1.686 20 0 EDADRP C[C@H]1Cc2ccccc2N1CCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433159698 305102193 /nfs/dbraw/zinc/10/21/93/305102193.db2.gz STPPBRGAWNPCDZ-INIZCTEOSA-N 2 0 344.503 1.757 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433286093 305105016 /nfs/dbraw/zinc/10/50/16/305105016.db2.gz NADIICFTQUDXNT-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000433394192 305107608 /nfs/dbraw/zinc/10/76/08/305107608.db2.gz KTAISXLUWNSKHD-HNNXBMFYSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2(C)CC[NH+](C)CC2)CCCO1 ZINC000433452430 305109513 /nfs/dbraw/zinc/10/95/13/305109513.db2.gz GTKOUCDZUQNWOY-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)C[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000433472219 305110549 /nfs/dbraw/zinc/11/05/49/305110549.db2.gz VAUPTAHWEMLPQV-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC000440988299 305215826 /nfs/dbraw/zinc/21/58/26/305215826.db2.gz QPTBAEYLANGUTH-JKSUJKDBSA-N 2 0 339.528 1.137 20 0 EDADRP O[C@@H](C[NH+]1CCC[C@@H]2COCC[C@@H]21)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000447316474 305278146 /nfs/dbraw/zinc/27/81/46/305278146.db2.gz YSXBVZSNVNAZOA-JKEDJMADSA-N 2 0 338.492 1.349 20 0 EDADRP C[C@@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447844511 305286902 /nfs/dbraw/zinc/28/69/02/305286902.db2.gz QKFIRFTXEVPNKT-QZKQXFQVSA-N 2 0 342.524 1.598 20 0 EDADRP COc1cc(C)ccc1C[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000449150893 305308105 /nfs/dbraw/zinc/30/81/05/305308105.db2.gz UMVYHZVKHBRRKP-UHFFFAOYSA-N 2 0 335.492 1.483 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)c1cccc(C[NH+]2CCCC2)c1 ZINC000452384747 305396087 /nfs/dbraw/zinc/39/60/87/305396087.db2.gz CDFJYCGVHPXVRO-IBGZPJMESA-N 2 0 345.487 1.859 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)[C@@H]1SC ZINC000459371451 305519163 /nfs/dbraw/zinc/51/91/63/305519163.db2.gz SUUKPYRNBWPJAE-HZMVEIRTSA-N 2 0 329.554 1.757 20 0 EDADRP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]CCCC[NH+]1CCOCC1 ZINC000495347826 305636560 /nfs/dbraw/zinc/63/65/60/305636560.db2.gz NHORDMWXVTZBID-UHFFFAOYSA-N 2 0 329.485 1.992 20 0 EDADRP CC[NH2+]CCCNC(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000517718457 305755415 /nfs/dbraw/zinc/75/54/15/305755415.db2.gz XJHATZQECQSSOW-UHFFFAOYSA-N 2 0 348.495 1.022 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422128643 447363273 /nfs/dbraw/zinc/36/32/73/447363273.db2.gz YSJCQUUDBQOAPI-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529378721 305911893 /nfs/dbraw/zinc/91/18/93/305911893.db2.gz UPHFRTYXZGLZGE-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP c1cc2c(cc1C[NH+]1CCC(CO[C@H]3CC[NH2+]C3)CC1)C[NH2+]CC2 ZINC000530239103 305935461 /nfs/dbraw/zinc/93/54/61/305935461.db2.gz CRKLAXORBSSYIQ-FQEVSTJZSA-N 3 0 329.488 1.923 20 0 EDADRP CC(C)Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc(=O)[nH]1 ZINC000538621708 306031106 /nfs/dbraw/zinc/03/11/06/306031106.db2.gz HYNATQJARRONGX-UHFFFAOYSA-N 2 0 336.480 1.551 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000557187192 306225913 /nfs/dbraw/zinc/22/59/13/306225913.db2.gz MJEIRCCTBZUZFO-HNNXBMFYSA-N 2 0 345.443 1.108 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000557223540 306226794 /nfs/dbraw/zinc/22/67/94/306226794.db2.gz WBCPFHBJMHEDTE-SFHVURJKSA-N 2 0 347.463 1.312 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000414949518 447370737 /nfs/dbraw/zinc/37/07/37/447370737.db2.gz ZTLZLQUHEDMHDO-XEZPLFJOSA-N 2 0 332.448 1.490 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000414949228 447371030 /nfs/dbraw/zinc/37/10/30/447371030.db2.gz ZEVCAOFBQOGFLU-XJKSGUPXSA-N 2 0 332.448 1.189 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458450736 447374607 /nfs/dbraw/zinc/37/46/07/447374607.db2.gz GJGQLVXBJOSGCM-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236408 453618381 /nfs/dbraw/zinc/61/83/81/453618381.db2.gz LZCUQVYRLIMKIN-GHMZBOCLSA-N 2 0 327.226 1.043 20 0 EDADRP CC[C@H]([NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414980538 447382641 /nfs/dbraw/zinc/38/26/41/447382641.db2.gz AJRDMXHMJPXTSS-AWEZNQCLSA-N 2 0 325.478 1.475 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000493810463 447399811 /nfs/dbraw/zinc/39/98/11/447399811.db2.gz AFBTYMHLLIGJNN-OAGGEKHMSA-N 2 0 333.476 1.986 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000426218029 447400491 /nfs/dbraw/zinc/40/04/91/447400491.db2.gz CFBVNBNIIPFWSH-KZNAEPCWSA-N 2 0 333.476 1.641 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000426217935 447400704 /nfs/dbraw/zinc/40/07/04/447400704.db2.gz CFBVNBNIIPFWSH-FGTMMUONSA-N 2 0 333.476 1.641 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H](C)[N@H+]1CCO ZINC000458562033 447413066 /nfs/dbraw/zinc/41/30/66/447413066.db2.gz DBQSGXIJFKMXJK-RYTJFDOTSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419806238 447425261 /nfs/dbraw/zinc/42/52/61/447425261.db2.gz RCZDFCAKKYGEKU-CABCVRRESA-N 2 0 338.496 1.001 20 0 EDADRP Cc1ccc(F)cc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102229 441190393 /nfs/dbraw/zinc/19/03/93/441190393.db2.gz DRMIQAIFTBALQG-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP Cc1noc2nc(C)cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c12 ZINC000103210858 441177070 /nfs/dbraw/zinc/17/70/70/441177070.db2.gz HHBSAUDMJUNIPS-UHFFFAOYSA-N 2 0 333.436 1.405 20 0 EDADRP C[N@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000104806467 441213298 /nfs/dbraw/zinc/21/32/98/441213298.db2.gz SDWNMRHKKYLANG-UHFFFAOYSA-N 2 0 331.464 1.788 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CN2CC[NH+](CC)CC2)C1 ZINC000081378018 441261414 /nfs/dbraw/zinc/26/14/14/441261414.db2.gz FDQWBCWQZWGYCU-QGZVFWFLSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000106516253 441347714 /nfs/dbraw/zinc/34/77/14/441347714.db2.gz KURUEURLNKOYFT-SJLPKXTDSA-N 2 0 347.507 1.224 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000073618680 441333374 /nfs/dbraw/zinc/33/33/74/441333374.db2.gz JRQBWQINGPJHAX-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000106458455 441345119 /nfs/dbraw/zinc/34/51/19/441345119.db2.gz AXIYYVALJPINKZ-IBGZPJMESA-N 2 0 346.519 1.636 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000106460390 441345185 /nfs/dbraw/zinc/34/51/85/441345185.db2.gz CKGGELXJRYERQE-SFHVURJKSA-N 2 0 332.492 1.959 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000073728517 441346984 /nfs/dbraw/zinc/34/69/84/441346984.db2.gz LJHFDJDSJMLDHL-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000106539415 441353739 /nfs/dbraw/zinc/35/37/39/441353739.db2.gz VLJHFNAEMSVJCB-HNNXBMFYSA-N 2 0 339.528 1.184 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C(C)C ZINC000051957871 441428652 /nfs/dbraw/zinc/42/86/52/441428652.db2.gz ACZOJADLDYAHGI-UHFFFAOYSA-N 2 0 325.497 1.676 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000085457242 441442574 /nfs/dbraw/zinc/44/25/74/441442574.db2.gz ICZGFIOVQBVYLT-IXDOHACOSA-N 2 0 325.497 1.866 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CCCCC2)C1 ZINC000052867162 441483332 /nfs/dbraw/zinc/48/33/32/441483332.db2.gz SWYOACMJRVUJJX-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000112916948 441567342 /nfs/dbraw/zinc/56/73/42/441567342.db2.gz DBIOMDAWLDHHKK-MJGOQNOKSA-N 2 0 346.519 1.822 20 0 EDADRP Cc1ccnc(N2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)c1 ZINC000136959777 441734453 /nfs/dbraw/zinc/73/44/53/441734453.db2.gz HIWQHJZDABOYCP-INIZCTEOSA-N 2 0 343.475 1.706 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137512385 441772738 /nfs/dbraw/zinc/77/27/38/441772738.db2.gz MFQILNLSFIEFQR-MJGOQNOKSA-N 2 0 344.503 1.403 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000068515354 441812030 /nfs/dbraw/zinc/81/20/30/441812030.db2.gz BEAMMNRSNBCJTJ-LJQANCHMSA-N 2 0 346.519 1.823 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)NCC2(O)CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000077785664 441861383 /nfs/dbraw/zinc/86/13/83/441861383.db2.gz NFZKHHFYXCRCKV-DOTOQJQBSA-N 2 0 340.512 1.253 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000139701226 441824253 /nfs/dbraw/zinc/82/42/53/441824253.db2.gz BHZPJIHFKHVBEF-QGZVFWFLSA-N 2 0 331.464 1.439 20 0 EDADRP C[NH+]1CCC[C@@H]2CN(CCN3CC[C@H]4[C@H](CCC[N@H+]4C)C3)CC[C@H]21 ZINC000140033275 441831920 /nfs/dbraw/zinc/83/19/20/441831920.db2.gz NGNGBRYVSBWSEJ-WTGUMLROSA-N 2 0 334.552 1.819 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nc2ccccc2[nH]1 ZINC000077755747 441848773 /nfs/dbraw/zinc/84/87/73/441848773.db2.gz HUNGNGGNFJYABN-AWEZNQCLSA-N 2 0 346.479 1.759 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000174291709 441910266 /nfs/dbraw/zinc/91/02/66/441910266.db2.gz GTKOKQZKHLRRSD-INIZCTEOSA-N 2 0 326.485 1.082 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCOC1 ZINC000174188564 441900337 /nfs/dbraw/zinc/90/03/37/441900337.db2.gz DJOCBPLOAOVPIZ-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ncncc1Cl ZINC000175218558 442020228 /nfs/dbraw/zinc/02/02/28/442020228.db2.gz DFGPGCUFWSPHHJ-UHFFFAOYSA-N 2 0 327.860 1.476 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(OCCF)c1 ZINC000120284661 442043458 /nfs/dbraw/zinc/04/34/58/442043458.db2.gz FFBBXQWDJSNTBG-UHFFFAOYSA-N 2 0 340.443 1.992 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000162682313 442114710 /nfs/dbraw/zinc/11/47/10/442114710.db2.gz AACBASGKFQHLSI-KCITZHQASA-N 2 0 345.487 1.780 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1NC(C)=O ZINC000162549608 442102407 /nfs/dbraw/zinc/10/24/07/442102407.db2.gz WTGJNPZMBPUQTK-OAHLLOKOSA-N 2 0 348.491 1.942 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)c(C)s1 ZINC000151687000 442106035 /nfs/dbraw/zinc/10/60/35/442106035.db2.gz XEZWTNJLPFJXKI-AWEZNQCLSA-N 2 0 338.473 1.997 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000176081696 442173065 /nfs/dbraw/zinc/17/30/65/442173065.db2.gz IFFNHOPMPSVCAC-MRXNPFEDSA-N 2 0 346.475 1.405 20 0 EDADRP CN(C(=O)C[NH2+]CC1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166554036 442216810 /nfs/dbraw/zinc/21/68/10/442216810.db2.gz MTOJNDORSVVBFO-UHFFFAOYSA-N 2 0 330.476 1.547 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176400733 442218411 /nfs/dbraw/zinc/21/84/11/442218411.db2.gz CYAZAEFCZDWUSK-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495027 442219923 /nfs/dbraw/zinc/21/99/23/442219923.db2.gz YNDMFGVXEWVFKR-KURKYZTESA-N 2 0 339.524 1.972 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@H]2CCC[NH2+]2)CC1)Cc1ccccc1 ZINC000167702698 442222198 /nfs/dbraw/zinc/22/21/98/442222198.db2.gz DIUDBCSDZUINOJ-GOSISDBHSA-N 2 0 330.476 1.015 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000176507659 442229527 /nfs/dbraw/zinc/22/95/27/442229527.db2.gz CYRBWBJMKAQJCG-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](CCCOC)CC1)C1CC1 ZINC000171204731 442327356 /nfs/dbraw/zinc/32/73/56/442327356.db2.gz LCOISTZYDORVPF-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)COc1ccccc1)C1CC[NH+](C)CC1 ZINC000177384255 442334527 /nfs/dbraw/zinc/33/45/27/442334527.db2.gz SQINCUMOHLZLBL-SFHVURJKSA-N 2 0 335.492 1.384 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCN1CCOCC1 ZINC000154483492 442341887 /nfs/dbraw/zinc/34/18/87/442341887.db2.gz ZIBDALZQCACOFW-WMZOPIPTSA-N 2 0 346.475 1.138 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000130297667 442343385 /nfs/dbraw/zinc/34/33/85/442343385.db2.gz JJYTUECKFUNPIS-NVXWUHKLSA-N 2 0 331.460 1.948 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C[C@@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000130385328 442345762 /nfs/dbraw/zinc/34/57/62/442345762.db2.gz MRARGKAXMKYRPG-MDZRGWNJSA-N 2 0 345.487 1.912 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177486832 442348767 /nfs/dbraw/zinc/34/87/67/442348767.db2.gz VDLWUWOLWQJLNK-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)[C@H](C)NC(=O)CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154035608 442317663 /nfs/dbraw/zinc/31/76/63/442317663.db2.gz SRTVKVIBUNTMOU-KSZLIROESA-N 2 0 338.540 1.638 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130762306 442355612 /nfs/dbraw/zinc/35/56/12/442355612.db2.gz VDYKEIBJUJKHDS-OAHLLOKOSA-N 2 0 344.459 1.450 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171625113 442363916 /nfs/dbraw/zinc/36/39/16/442363916.db2.gz MLICXNMGPPSRHJ-QGZVFWFLSA-N 2 0 338.496 1.369 20 0 EDADRP COCCN(C)CC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000133667860 442428607 /nfs/dbraw/zinc/42/86/07/442428607.db2.gz ALVIBURQJPOFGU-UHFFFAOYSA-N 2 0 348.535 1.885 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@H](C)O1 ZINC000155919597 442436593 /nfs/dbraw/zinc/43/65/93/442436593.db2.gz WXATWYOJDROJGL-CALCHBBNSA-N 2 0 340.508 1.739 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000155996099 442441693 /nfs/dbraw/zinc/44/16/93/442441693.db2.gz HCIAZQDUYIFZIR-DLBZAZTESA-N 2 0 340.512 1.395 20 0 EDADRP COC1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000178831770 442497556 /nfs/dbraw/zinc/49/75/56/442497556.db2.gz XXEGTPUXQSYWQA-DOTOQJQBSA-N 2 0 331.460 1.534 20 0 EDADRP O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC2CC[NH2+]CC2)CC1 ZINC000178966860 442540844 /nfs/dbraw/zinc/54/08/44/442540844.db2.gz NVTGNMXMDQHDDB-UHFFFAOYSA-N 2 0 333.451 1.902 20 0 EDADRP CCc1ccccc1NC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178977936 442543066 /nfs/dbraw/zinc/54/30/66/442543066.db2.gz FAYNBRPIFQPVOR-UHFFFAOYSA-N 2 0 344.503 1.805 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000180117253 442544481 /nfs/dbraw/zinc/54/44/81/442544481.db2.gz JTYVEXYZCOLMKT-AZUAARDMSA-N 2 0 344.503 1.576 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C(C)C ZINC000186988573 442641267 /nfs/dbraw/zinc/64/12/67/442641267.db2.gz JOVHAJLAPGFBAC-MRXNPFEDSA-N 2 0 342.528 1.592 20 0 EDADRP C[NH+]1CCC(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000192231756 442619068 /nfs/dbraw/zinc/61/90/68/442619068.db2.gz NHXCVABFAJZGNL-LJQANCHMSA-N 2 0 345.487 1.736 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187398295 442674024 /nfs/dbraw/zinc/67/40/24/442674024.db2.gz JGIHRUFGMIDVCI-INIZCTEOSA-N 2 0 340.512 1.205 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2C[C@H](OC)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000187886377 442696580 /nfs/dbraw/zinc/69/65/80/442696580.db2.gz YBTUBBJCGNUXPA-KSZLIROESA-N 2 0 347.459 1.325 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000188068493 442707780 /nfs/dbraw/zinc/70/77/80/442707780.db2.gz OUZYEPPCQWJVFW-GPMSIDNRSA-N 2 0 345.487 1.769 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCCC2CC[NH+](CC)CC2)C1(C)C ZINC000188202337 442724091 /nfs/dbraw/zinc/72/40/91/442724091.db2.gz TUNNCUMQBJJTGF-YJBOKZPZSA-N 2 0 325.497 1.757 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000188232193 442727094 /nfs/dbraw/zinc/72/70/94/442727094.db2.gz FAVKPYUSWUYAAH-UHFFFAOYSA-N 2 0 346.475 1.629 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000188403791 442746563 /nfs/dbraw/zinc/74/65/63/442746563.db2.gz XMQDYZQRPGGTAC-MRXNPFEDSA-N 2 0 328.501 1.518 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H](F)C[NH2+]1)c1cccc(OC)c1 ZINC000188701991 442792450 /nfs/dbraw/zinc/79/24/50/442792450.db2.gz UFCCVXJLNQVAEZ-UAGQMJEPSA-N 2 0 337.439 1.894 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182631744 442798661 /nfs/dbraw/zinc/79/86/61/442798661.db2.gz IMRQTNXSDRKLIV-HOTGVXAUSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3C[C@H](F)C[NH2+]3)CC2)C[C@@H](C)O1 ZINC000188746986 442802819 /nfs/dbraw/zinc/80/28/19/442802819.db2.gz NTSGPSUWNMQOSG-LUYZLQTOSA-N 2 0 327.444 1.034 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000246742226 442809074 /nfs/dbraw/zinc/80/90/74/442809074.db2.gz ZCZOPBOYVAPIEJ-IKGGRYGDSA-N 2 0 325.497 1.853 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188775286 442810219 /nfs/dbraw/zinc/81/02/19/442810219.db2.gz IXPNESGUYJRGQU-OAHLLOKOSA-N 2 0 339.443 1.450 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](NC(=O)/C=C/C[NH+](C)C)C2)cc(OC)c1 ZINC000268016176 442818012 /nfs/dbraw/zinc/81/80/12/442818012.db2.gz RMCWIRWCBTWYSA-JFDDCEBESA-N 2 0 347.459 1.512 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967144 442851085 /nfs/dbraw/zinc/85/10/85/442851085.db2.gz WDMXRIZRAGEADQ-BLLLJJGKSA-N 2 0 329.448 1.144 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000188967086 442851602 /nfs/dbraw/zinc/85/16/02/442851602.db2.gz WDMXRIZRAGEADQ-WBMJQRKESA-N 2 0 329.448 1.144 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CCN3C(=O)NC4(CCCC4)C3=O)CC[C@H]21 ZINC000247962910 442875682 /nfs/dbraw/zinc/87/56/82/442875682.db2.gz GLMKCUFINDJOBK-LSDHHAIUSA-N 2 0 334.464 1.267 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C[C@H](C)O ZINC000248441926 442892566 /nfs/dbraw/zinc/89/25/66/442892566.db2.gz AIDKEZHGNMYCKD-QKPAOTATSA-N 2 0 338.496 1.098 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000268255863 442920646 /nfs/dbraw/zinc/92/06/46/442920646.db2.gz HUFUXCVNDMPRSD-WMLDXEAASA-N 2 0 346.475 1.138 20 0 EDADRP CC[C@]1(CO)CCC[NH+]1CCOCC[N@H+]1CCC[C@@]1(CC)CO ZINC000189610396 442984656 /nfs/dbraw/zinc/98/46/56/442984656.db2.gz GRYXEUUSCAGHSP-HDICACEKSA-N 2 0 328.497 1.477 20 0 EDADRP COc1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)cc2c1OCO2 ZINC000268429220 442986075 /nfs/dbraw/zinc/98/60/75/442986075.db2.gz OLDWNWUHDQHTIG-UHFFFAOYSA-N 2 0 336.432 1.749 20 0 EDADRP C[N@H+](CCO)C1CCN(C[C@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432973 442987250 /nfs/dbraw/zinc/98/72/50/442987250.db2.gz IWVLURGKUDVWRD-INIZCTEOSA-N 2 0 347.459 1.296 20 0 EDADRP CC[C@@]1(CO)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249599143 442994008 /nfs/dbraw/zinc/99/40/08/442994008.db2.gz XSPFTAJDVJCQEV-UYAOXDASSA-N 2 0 347.503 1.890 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252442125 443022911 /nfs/dbraw/zinc/02/29/11/443022911.db2.gz QKWXDQVDFHHMLZ-HOTGVXAUSA-N 2 0 332.448 1.906 20 0 EDADRP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCCO1 ZINC000184576701 443042349 /nfs/dbraw/zinc/04/23/49/443042349.db2.gz KWPQEPWQKBPDKI-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP OCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)o1 ZINC000266189753 443050543 /nfs/dbraw/zinc/05/05/43/443050543.db2.gz XZVLSYPXFLCKDJ-VQIMIIECSA-N 2 0 330.428 1.745 20 0 EDADRP Cc1c([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000184686682 443059590 /nfs/dbraw/zinc/05/95/90/443059590.db2.gz LOPGDYUPZNXJFP-KBXCAEBGSA-N 2 0 343.475 1.798 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268710383 443084840 /nfs/dbraw/zinc/08/48/40/443084840.db2.gz IEYQTXQIWISSAD-UHFFFAOYSA-N 2 0 333.480 1.892 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)/C=C/C[NH+](C)C ZINC000266470551 443136823 /nfs/dbraw/zinc/13/68/23/443136823.db2.gz LBAGUPDVUINSCO-VOTSOKGWSA-N 2 0 346.475 1.893 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268904173 443142622 /nfs/dbraw/zinc/14/26/22/443142622.db2.gz PLZZGANXHZKLAD-KSSFIOAISA-N 2 0 332.448 1.745 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298568017 318826645 /nfs/dbraw/zinc/82/66/45/318826645.db2.gz WTONDBDJCIAZPS-GOSISDBHSA-N 3 0 345.535 1.914 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000268825412 443119995 /nfs/dbraw/zinc/11/99/95/443119995.db2.gz ITCMOOQMXFDPJK-RLLQIKCJSA-N 2 0 331.504 1.943 20 0 EDADRP O=C(C[NH2+]C1CC1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000238163409 443196409 /nfs/dbraw/zinc/19/64/09/443196409.db2.gz ZQLKJCWXLDKDAE-UHFFFAOYSA-N 2 0 330.476 1.063 20 0 EDADRP CC(C)[C@H](CCO)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269213563 443235394 /nfs/dbraw/zinc/23/53/94/443235394.db2.gz JABJFBRIRCZCBL-ROUUACIJSA-N 2 0 344.459 1.324 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000245794787 443249160 /nfs/dbraw/zinc/24/91/60/443249160.db2.gz YCNKOSVZDHWSEC-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000269260855 443256356 /nfs/dbraw/zinc/25/63/56/443256356.db2.gz WIFOHNGOKSKMMN-CABCVRRESA-N 2 0 337.489 1.455 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)(N2CCOCC2)CC1 ZINC000414204709 319319657 /nfs/dbraw/zinc/31/96/57/319319657.db2.gz WOXXGFRDAZKBTD-BBWFWOEESA-N 2 0 337.508 1.186 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000414660507 319338025 /nfs/dbraw/zinc/33/80/25/319338025.db2.gz OICVZWGWJFUXNQ-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000414777488 319344141 /nfs/dbraw/zinc/34/41/41/319344141.db2.gz DFOYMSYGYQULAO-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP COc1cccc(C[C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992642 319344177 /nfs/dbraw/zinc/34/41/77/319344177.db2.gz TYOGAFLVJXJXHQ-OCCSQVGLSA-N 2 0 346.397 1.447 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415243965 319356433 /nfs/dbraw/zinc/35/64/33/319356433.db2.gz WTKSZLTWPJGNNI-CYBMUJFWSA-N 2 0 332.448 1.465 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000415938198 319383752 /nfs/dbraw/zinc/38/37/52/319383752.db2.gz OGRVUWUFVGIPHI-OAHLLOKOSA-N 2 0 336.436 1.256 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264359432 443261804 /nfs/dbraw/zinc/26/18/04/443261804.db2.gz CASGHILTKJUEFL-KRWDZBQOSA-N 2 0 344.503 1.648 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417368545 319494723 /nfs/dbraw/zinc/49/47/23/319494723.db2.gz RDPJMYKPUZNBLS-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264652733 443361955 /nfs/dbraw/zinc/36/19/55/443361955.db2.gz GSJSSEXGXNQKCY-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000278582806 443368279 /nfs/dbraw/zinc/36/82/79/443368279.db2.gz YFOAKIUJMDOOHJ-CYBMUJFWSA-N 2 0 337.489 1.859 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420384891 319614018 /nfs/dbraw/zinc/61/40/18/319614018.db2.gz SNDAXVMXBVODLG-AEFFLSMTSA-N 2 0 325.497 1.853 20 0 EDADRP COC[C@]1(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423421241 319773677 /nfs/dbraw/zinc/77/36/77/319773677.db2.gz XUTTUVNXVZASGF-GUDVDZBRSA-N 2 0 333.476 1.847 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]CN2CCC(=O)CC2)[C@H](c2ccccc2)C1 ZINC000273141035 443548431 /nfs/dbraw/zinc/54/84/31/443548431.db2.gz WUCQEKUNBHXCGS-FQEVSTJZSA-N 2 0 344.503 1.577 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000430564543 319934625 /nfs/dbraw/zinc/93/46/25/319934625.db2.gz LWFGQNFTZXHESN-KRWDZBQOSA-N 2 0 331.460 1.428 20 0 EDADRP CSC1(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)CCOCC1 ZINC000433163630 319973514 /nfs/dbraw/zinc/97/35/14/319973514.db2.gz YPJYDQLGNJSEIU-UHFFFAOYSA-N 2 0 329.510 1.218 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCOCC2)cc1 ZINC000275784791 443641719 /nfs/dbraw/zinc/64/17/19/443641719.db2.gz GTACJSRDGHJAGH-UHFFFAOYSA-N 2 0 333.476 1.981 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCn2cc(Br)ccc2=O)[C@H](C)C1 ZINC000449380340 320185974 /nfs/dbraw/zinc/18/59/74/320185974.db2.gz WGKBGHZALWOVMI-TZMCWYRMSA-N 2 0 342.281 1.931 20 0 EDADRP C[C@H](C(=O)NC(C)(C)C[NH+](C)C)[C@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000457256185 320322765 /nfs/dbraw/zinc/32/27/65/320322765.db2.gz ZAHMVYNCYAWHPZ-KBPBESRZSA-N 2 0 342.528 1.171 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000490824525 320363166 /nfs/dbraw/zinc/36/31/66/320363166.db2.gz NHNZZHCGNCRLEC-ZDUSSCGKSA-N 2 0 344.450 1.842 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000515063320 320431035 /nfs/dbraw/zinc/43/10/35/320431035.db2.gz RZANZHHWXLDHPB-DLBZAZTESA-N 2 0 336.524 1.392 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cn2cccnc2n1 ZINC000298170566 443711076 /nfs/dbraw/zinc/71/10/76/443711076.db2.gz UGMISTNTGPSLOK-QGZVFWFLSA-N 2 0 330.480 1.577 20 0 EDADRP Cc1ccc(OCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000525420168 320490612 /nfs/dbraw/zinc/49/06/12/320490612.db2.gz MHTXMWFPIONQLD-UHFFFAOYSA-N 2 0 336.480 1.509 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527632045 320520794 /nfs/dbraw/zinc/52/07/94/320520794.db2.gz MAVLAWZYVVCGKD-UHFFFAOYSA-N 2 0 345.260 1.710 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000276705147 443797700 /nfs/dbraw/zinc/79/77/00/443797700.db2.gz WBAJMIZUDKRKJE-MRXNPFEDSA-N 2 0 327.472 1.933 20 0 EDADRP O=C(CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)NCC(F)F ZINC000280904547 443771203 /nfs/dbraw/zinc/77/12/03/443771203.db2.gz PYDICNIPHAHZTP-OWCLPIDISA-N 2 0 337.414 1.868 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240427 320617369 /nfs/dbraw/zinc/61/73/69/320617369.db2.gz LUYFPSOBEWYPGY-WMLDXEAASA-N 2 0 325.497 1.770 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1 ZINC000298866200 443888501 /nfs/dbraw/zinc/88/85/01/443888501.db2.gz VAKMQJPWJCYNGD-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000298891880 443894635 /nfs/dbraw/zinc/89/46/35/443894635.db2.gz XEXVQNIKTNJJFK-GJZGRUSLSA-N 2 0 346.475 1.852 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](O)C12CCCC2)c1ccccc1 ZINC000292831235 443854802 /nfs/dbraw/zinc/85/48/02/443854802.db2.gz UDXPORUJCUSCHC-ROUUACIJSA-N 2 0 345.487 1.785 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000288594400 443929354 /nfs/dbraw/zinc/92/93/54/443929354.db2.gz TUZQUHRDPKZNNJ-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)Cc2[nH]cnc2C)[C@@H]1c1ccccc1 ZINC000285461722 443993820 /nfs/dbraw/zinc/99/38/20/443993820.db2.gz QTJSUTSGLWNGMU-HKUYNNGSSA-N 2 0 342.443 1.839 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)Nc1cc(N2CCN(C)C(=O)C2)ncn1 ZINC000289091332 444051424 /nfs/dbraw/zinc/05/14/24/444051424.db2.gz OTYDUZMNOMSLKL-AWEZNQCLSA-N 2 0 334.468 1.287 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000299316515 444016403 /nfs/dbraw/zinc/01/64/03/444016403.db2.gz WUKKXDVDFGEVIQ-SJORKVTESA-N 2 0 331.460 1.984 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C(F)(F)F ZINC000555198170 320964355 /nfs/dbraw/zinc/96/43/55/320964355.db2.gz MSIDNWMMFIHDNV-UHFFFAOYSA-N 2 0 326.407 1.710 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000293581819 444060418 /nfs/dbraw/zinc/06/04/18/444060418.db2.gz YNZQYOKUVBQZMG-RTBURBONSA-N 2 0 342.487 1.258 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000557241394 321000834 /nfs/dbraw/zinc/00/08/34/321000834.db2.gz APDHLCRBNLGCQR-UWWQBHOKSA-N 2 0 348.466 1.899 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000557256404 321001084 /nfs/dbraw/zinc/00/10/84/321001084.db2.gz IPPMTMORZQBVFF-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000557355271 321002962 /nfs/dbraw/zinc/00/29/62/321002962.db2.gz QREQZCYUVZEZGY-CYBMUJFWSA-N 2 0 329.404 1.121 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561145257 321035047 /nfs/dbraw/zinc/03/50/47/321035047.db2.gz CUJYTLXWFUMCMM-QZTJIDSGSA-N 2 0 346.475 1.329 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000561196257 321036106 /nfs/dbraw/zinc/03/61/06/321036106.db2.gz PTGFLWFKEUVTHN-OIISXLGYSA-N 2 0 330.476 1.977 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000561428182 321041010 /nfs/dbraw/zinc/04/10/10/321041010.db2.gz SQLAVMDKEYVKSP-ICSRJNTNSA-N 2 0 345.487 1.614 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000299577579 444084495 /nfs/dbraw/zinc/08/44/95/444084495.db2.gz QOJRJQSLKPRLCL-INIZCTEOSA-N 2 0 347.463 1.024 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CNc2ccccc2CC[NH+](C)C)C[C@@H](C)O1 ZINC000563010786 321087748 /nfs/dbraw/zinc/08/77/48/321087748.db2.gz WOQRBCRXQKQGNY-JFIYKMOQSA-N 2 0 335.492 1.673 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000563384492 321107393 /nfs/dbraw/zinc/10/73/93/321107393.db2.gz MSICLNREFGCEAS-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP Cc1nn(C)c(CN(CC[NH+](C)C)CC[NH+](C)C)c1Br ZINC000563916629 321115324 /nfs/dbraw/zinc/11/53/24/321115324.db2.gz KRMMVCYCUDYJOA-UHFFFAOYSA-N 2 0 346.317 1.416 20 0 EDADRP [NH3+]CC1(CC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000564909034 321155967 /nfs/dbraw/zinc/15/59/67/321155967.db2.gz KKBWMYNHAJOAKU-UHFFFAOYSA-N 2 0 330.476 1.444 20 0 EDADRP COC1(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC000564995892 321164051 /nfs/dbraw/zinc/16/40/51/321164051.db2.gz PVGGVGBRWTYWGC-DOTOQJQBSA-N 2 0 349.450 1.404 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)NC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000566057731 321212783 /nfs/dbraw/zinc/21/27/83/321212783.db2.gz NGYYWSUNBZWKMG-ROUUACIJSA-N 2 0 345.491 1.026 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000567642574 321250298 /nfs/dbraw/zinc/25/02/98/321250298.db2.gz VHLXIUFNRIWQKC-QAPCUYQASA-N 2 0 345.487 1.959 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000567647029 321250363 /nfs/dbraw/zinc/25/03/63/321250363.db2.gz LWLROALLXWNKRT-RRFJBIMHSA-N 2 0 334.464 1.361 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000567982908 321271190 /nfs/dbraw/zinc/27/11/90/321271190.db2.gz ZIGRGNWNJTUPOF-USXIJHARSA-N 2 0 333.476 1.766 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000299635012 444101334 /nfs/dbraw/zinc/10/13/34/444101334.db2.gz UOQGKTKZJUVGCA-QGZVFWFLSA-N 2 0 337.439 1.249 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1(C)C ZINC000569454190 321325974 /nfs/dbraw/zinc/32/59/74/321325974.db2.gz DKPUGNPMMALSQT-UHFFFAOYSA-N 2 0 345.491 1.480 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCCO)cc1 ZINC000571103921 321371980 /nfs/dbraw/zinc/37/19/80/321371980.db2.gz LQVRAKTXADNSTD-GOSISDBHSA-N 2 0 333.476 1.367 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000571670999 321396282 /nfs/dbraw/zinc/39/62/82/321396282.db2.gz NIBQMIWYMBPFAU-FJIDUMEYSA-N 2 0 327.513 1.167 20 0 EDADRP CSC1(C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC[NH+](C)CC1 ZINC000571790834 321401185 /nfs/dbraw/zinc/40/11/85/321401185.db2.gz DHFOJSDFWKDNDE-OAHLLOKOSA-N 2 0 342.480 1.982 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccc(C[NH+]4CCCC4)cc3)[C@H]2C1 ZINC000285939984 444158918 /nfs/dbraw/zinc/15/89/18/444158918.db2.gz VNCHSXKBDONZIP-OALUTQOASA-N 2 0 343.471 1.828 20 0 EDADRP CC(C)COC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000576277407 321552993 /nfs/dbraw/zinc/55/29/93/321552993.db2.gz USWPYVSFLLAZDY-INIZCTEOSA-N 2 0 339.480 1.203 20 0 EDADRP COCCOCc1ccc(C[NH2+]CCCN2CCC[C@H]2C(N)=O)cc1 ZINC000289760723 444200021 /nfs/dbraw/zinc/20/00/21/444200021.db2.gz OOPFXFOHOOCFNC-SFHVURJKSA-N 2 0 349.475 1.279 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000290139666 444247510 /nfs/dbraw/zinc/24/75/10/444247510.db2.gz ZYSRZEVSBBEZMF-INIZCTEOSA-N 2 0 335.448 1.425 20 0 EDADRP CCO[C@@H](C)c1noc(CN(C)CC2CC[NH+](C[C@@H](C)O)CC2)n1 ZINC000303870245 444237538 /nfs/dbraw/zinc/23/75/38/444237538.db2.gz QBHJBLYTMKEUNS-KGLIPLIRSA-N 2 0 340.468 1.692 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](Cc3ccccc3)OC)C2)CC1 ZINC000297465298 444289369 /nfs/dbraw/zinc/28/93/69/444289369.db2.gz KKWUMQKXBDGMMJ-UXHICEINSA-N 2 0 331.504 1.956 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309731161 444289874 /nfs/dbraw/zinc/28/98/74/444289874.db2.gz PDJOTNMFTHDGEU-IRXDYDNUSA-N 2 0 333.501 1.720 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309929950 444290159 /nfs/dbraw/zinc/29/01/59/444290159.db2.gz VMYQSSVYXGIMFH-RDJZCZTQSA-N 2 0 339.505 1.378 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000578011135 321708037 /nfs/dbraw/zinc/70/80/37/321708037.db2.gz SXLRTQYPEGYOSM-HUUCEWRRSA-N 2 0 348.491 1.568 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)CCC[NH3+])CC2)c1 ZINC000578742241 321822725 /nfs/dbraw/zinc/82/27/25/321822725.db2.gz LPHRKSNBOUEJTM-UHFFFAOYSA-N 2 0 347.507 1.497 20 0 EDADRP C[NH+]1CCN(CCNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000298105617 444417575 /nfs/dbraw/zinc/41/75/75/444417575.db2.gz UGCQWAXERWLPEC-UHFFFAOYSA-N 2 0 344.503 1.650 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000340470991 444391184 /nfs/dbraw/zinc/39/11/84/444391184.db2.gz AMWMVJJVQIKWMY-ULQDDVLXSA-N 2 0 345.553 1.204 20 0 EDADRP CSC1(C[NH2+]Cc2cnc(-c3cnn(C)c3)nc2)CC[NH+](C)CC1 ZINC000579059122 321874797 /nfs/dbraw/zinc/87/47/97/321874797.db2.gz LGPFALWNDQEMED-UHFFFAOYSA-N 2 0 346.504 1.794 20 0 EDADRP CN(CCC[NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000580052828 322001976 /nfs/dbraw/zinc/00/19/76/322001976.db2.gz VDOBFOOQSFRBLU-UHFFFAOYSA-N 2 0 347.507 1.579 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)C[C@H](C)[N@H+]1CCO ZINC000580704353 322084381 /nfs/dbraw/zinc/08/43/81/322084381.db2.gz NFSJVYFYUOGGLF-GASCZTMLSA-N 2 0 326.485 1.135 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000581365030 322168989 /nfs/dbraw/zinc/16/89/89/322168989.db2.gz AGLMEDBVWDJFKL-IAGOWNOFSA-N 2 0 328.497 1.501 20 0 EDADRP C[C@@H](CC(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)n1ccnc1 ZINC000581730795 322214774 /nfs/dbraw/zinc/21/47/74/322214774.db2.gz VSKBMWLTOXUTNH-DLBZAZTESA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000581757215 322216776 /nfs/dbraw/zinc/21/67/76/322216776.db2.gz WWWSTFKCVKGVAM-UHFFFAOYSA-N 2 0 327.498 1.129 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000581952317 322237940 /nfs/dbraw/zinc/23/79/40/322237940.db2.gz GXAMJPXKBHRTNQ-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP O=C(CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)N1CCCCC1 ZINC000338215528 444568275 /nfs/dbraw/zinc/56/82/75/444568275.db2.gz FNOLLSUAYLHREF-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343767721 444577417 /nfs/dbraw/zinc/57/74/17/444577417.db2.gz NIPJPYOXKQICOJ-WZYMTQMTSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CCC[N@@H+]1C ZINC000343713844 444539383 /nfs/dbraw/zinc/53/93/83/444539383.db2.gz NSTWKXJREAUNKU-WBVHZDCISA-N 2 0 348.491 1.909 20 0 EDADRP O=C(NC[C@H]1CCc2nccn2C1)[C@H]1COCCN1C1CCCC1 ZINC000332909312 444593586 /nfs/dbraw/zinc/59/35/86/444593586.db2.gz PSNFDBMZNJGDLB-GDBMZVCRSA-N 2 0 332.448 1.205 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000332943908 444605960 /nfs/dbraw/zinc/60/59/60/444605960.db2.gz OIQRMZZUYGALIZ-HOTGVXAUSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H](C)[N@H+]1CCO ZINC000333584171 444682612 /nfs/dbraw/zinc/68/26/12/444682612.db2.gz KLJPYXXXCFOCJH-DJSILETISA-N 2 0 338.496 1.098 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000333432769 444668818 /nfs/dbraw/zinc/66/88/18/444668818.db2.gz UWNSFMCGESAGCN-HOTGVXAUSA-N 2 0 338.496 1.400 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC000341154190 444698618 /nfs/dbraw/zinc/69/86/18/444698618.db2.gz DWZVCOCITVSDRH-DLBZAZTESA-N 2 0 338.496 1.271 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)C1 ZINC000333823068 444701344 /nfs/dbraw/zinc/70/13/44/444701344.db2.gz HZYMNXCCSPPIPG-PMPSAXMXSA-N 2 0 329.510 1.122 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1CCOC ZINC000344021693 444732809 /nfs/dbraw/zinc/73/28/09/444732809.db2.gz ZJNBOIGRAVBFAK-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)CC1 ZINC000333897328 444712248 /nfs/dbraw/zinc/71/22/48/444712248.db2.gz AZDBPGAOMHKGKR-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000341188709 444718368 /nfs/dbraw/zinc/71/83/68/444718368.db2.gz YCMUGFDGFXXRGE-AEFFLSMTSA-N 2 0 348.491 1.143 20 0 EDADRP C[C@H]1C[N@H+](CCOc2ccc(CCNC(=O)C[NH+](C)C)cc2)C[C@H]1C ZINC000342427039 444687435 /nfs/dbraw/zinc/68/74/35/444687435.db2.gz TZLQNZBTOMTDFV-CALCHBBNSA-N 2 0 347.503 1.874 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1 ZINC000334044780 444759581 /nfs/dbraw/zinc/75/95/81/444759581.db2.gz PQMYOSXOFNPWIA-MRXNPFEDSA-N 2 0 346.479 1.456 20 0 EDADRP C[C@@H](O)[C@@H]1CCN(c2cc(NCC[N@@H+]3CCC[C@@H](C)C3)ncn2)C1 ZINC000334058785 444765693 /nfs/dbraw/zinc/76/56/93/444765693.db2.gz XJWIDIARENKMIW-BZUAXINKSA-N 2 0 333.480 1.828 20 0 EDADRP COC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336719759 444796051 /nfs/dbraw/zinc/79/60/51/444796051.db2.gz RTWBHQMOHHFQTK-ZIFCJYIRSA-N 2 0 332.444 1.364 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[NH2+][C@H]3C)CC2)C[C@@H](C)O1 ZINC000342721680 444834242 /nfs/dbraw/zinc/83/42/42/444834242.db2.gz AHUQJMZWEKUYBH-XLMAVXFVSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000344219665 444845986 /nfs/dbraw/zinc/84/59/86/444845986.db2.gz ZJAKKRNIIZIOEU-DLBZAZTESA-N 3 0 326.529 1.449 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000344237793 444856054 /nfs/dbraw/zinc/85/60/54/444856054.db2.gz OPPBATQKGIRHQL-XHSDSOJGSA-N 2 0 326.485 1.125 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000342765442 444856215 /nfs/dbraw/zinc/85/62/15/444856215.db2.gz OJXREYWWHSFMHH-OAHLLOKOSA-N 2 0 325.453 1.038 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CC[NH2+]C1 ZINC000342712857 444829103 /nfs/dbraw/zinc/82/91/03/444829103.db2.gz AQEABHKUHFSGPU-QGZVFWFLSA-N 2 0 330.476 1.315 20 0 EDADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCO[C@H]1C ZINC000337380143 445056552 /nfs/dbraw/zinc/05/65/52/445056552.db2.gz YEZPWPYLUVWSJV-ROUUACIJSA-N 2 0 327.513 1.528 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[NH+](CC2CCC2)CC1 ZINC000339199770 445085563 /nfs/dbraw/zinc/08/55/63/445085563.db2.gz AZVVVDOQZGCANI-LJQANCHMSA-N 2 0 349.519 1.964 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000337340278 445039625 /nfs/dbraw/zinc/03/96/25/445039625.db2.gz SOAPJNWKMPAGLI-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP COC(=O)CC1([NH2+]CCCN2CC[NH+](C(C)C)CC2)CCCC1 ZINC000337484610 445100700 /nfs/dbraw/zinc/10/07/00/445100700.db2.gz XUYBKCVENRXPNB-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000342042553 445140502 /nfs/dbraw/zinc/14/05/02/445140502.db2.gz RINIBJNOYZZTHN-OAHLLOKOSA-N 2 0 347.463 1.106 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000330742922 445122449 /nfs/dbraw/zinc/12/24/49/445122449.db2.gz TTZAXMDWYOWQEH-UHFFFAOYSA-N 2 0 325.497 1.460 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337605721 445162846 /nfs/dbraw/zinc/16/28/46/445162846.db2.gz QVMQEIVLEWRCOV-DOTOQJQBSA-N 2 0 328.501 1.253 20 0 EDADRP CSC[C@H](O)C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346936985 445228141 /nfs/dbraw/zinc/22/81/41/445228141.db2.gz SHVOMRIEUSLSBL-SQWLQELKSA-N 2 0 326.510 1.459 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000347686786 445244988 /nfs/dbraw/zinc/24/49/88/445244988.db2.gz ACRPRFXYFYNWGY-HZPDHXFCSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000348530765 445315930 /nfs/dbraw/zinc/31/59/30/445315930.db2.gz BPYGHEPCTMPXAH-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP Cc1ccc(CCC[NH+]2CCC(CNS(C)(=O)=O)CC2)cn1 ZINC000348710261 445350360 /nfs/dbraw/zinc/35/03/60/445350360.db2.gz OHEKKYFOEZVFDJ-UHFFFAOYSA-N 2 0 325.478 1.584 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1CCC[NH+]1C)c1ccccc1 ZINC000356976300 445356210 /nfs/dbraw/zinc/35/62/10/445356210.db2.gz CKPBXTUFEXYWGK-QZTJIDSGSA-N 2 0 333.476 1.906 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356989835 445364511 /nfs/dbraw/zinc/36/45/11/445364511.db2.gz YWHYVGZSSCUBSQ-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCc2ccccc2C1 ZINC000359685061 445374393 /nfs/dbraw/zinc/37/43/93/445374393.db2.gz LEGXGNRFJIGHPU-DNVCBOLYSA-N 2 0 347.528 1.987 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000362522294 445422825 /nfs/dbraw/zinc/42/28/25/445422825.db2.gz POQXXIGCLXEUTB-KRWDZBQOSA-N 2 0 345.491 1.390 20 0 EDADRP Cc1[nH+]ccc(N2CCC(O)(C[NH+]3CCOCC3)CC2)c1Cl ZINC000355678235 445472985 /nfs/dbraw/zinc/47/29/85/445472985.db2.gz ZAPRJDKXCIVEJK-UHFFFAOYSA-N 2 0 325.840 1.707 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)CC2CCCCC2)CC1 ZINC000362596547 445456192 /nfs/dbraw/zinc/45/61/92/445456192.db2.gz OGCICTPJNAXJCS-UHFFFAOYSA-N 2 0 339.524 1.850 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000359857836 445462853 /nfs/dbraw/zinc/46/28/53/445462853.db2.gz PIEHZQKXPZYGON-CABCVRRESA-N 2 0 336.480 1.561 20 0 EDADRP COC[C@]1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000357272468 445518879 /nfs/dbraw/zinc/51/88/79/445518879.db2.gz MFRSMGCAWZICBM-UYAOXDASSA-N 2 0 345.487 1.783 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]1CN1CCOCC1 ZINC000359919845 445488834 /nfs/dbraw/zinc/48/88/34/445488834.db2.gz WXRZGWPSQFSDDV-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](C)C1 ZINC000359926716 445492042 /nfs/dbraw/zinc/49/20/42/445492042.db2.gz WBLHFIZVUJWIBE-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP O=C1CNCCN1[C@@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000362673563 445492105 /nfs/dbraw/zinc/49/21/05/445492105.db2.gz OXQCTQQFQXZTIJ-BCMPFUBYSA-N 2 0 335.398 1.874 20 0 EDADRP O=C1CNCCN1[C@H]1CCCN(C/C=C/c2ccc(F)cc2F)C1 ZINC000362673568 445492260 /nfs/dbraw/zinc/49/22/60/445492260.db2.gz OXQCTQQFQXZTIJ-VQRJYJFOSA-N 2 0 335.398 1.874 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000357240037 445500781 /nfs/dbraw/zinc/50/07/81/445500781.db2.gz LCKNUTNDVLVJLB-PKOBYXMFSA-N 2 0 336.524 1.300 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000362870511 445590183 /nfs/dbraw/zinc/59/01/83/445590183.db2.gz DPGWEVLDJLGUKX-RTBURBONSA-N 2 0 343.471 1.875 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)[C@@H](C)COC ZINC000360157690 445601152 /nfs/dbraw/zinc/60/11/52/445601152.db2.gz VUBCHIOWSZNABM-GVDBMIGSSA-N 2 0 327.513 1.780 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@@H]2CC)[C@@H](C)C1 ZINC000353458246 445610939 /nfs/dbraw/zinc/61/09/39/445610939.db2.gz IUIPLBINULIKGP-HZMVEIRTSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000358441938 445620981 /nfs/dbraw/zinc/62/09/81/445620981.db2.gz FZGPLZRZRMNUNS-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)c1cc(NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360217132 445634563 /nfs/dbraw/zinc/63/45/63/445634563.db2.gz DFBQTKZDGMLJEX-GASCZTMLSA-N 2 0 335.496 2.577 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CCC[N@H+](C)[C@H]2C)CC[NH+](C)CC1 ZINC000357943117 445595219 /nfs/dbraw/zinc/59/52/19/445595219.db2.gz SIBQNPXNYBCXPZ-KBPBESRZSA-N 2 0 328.526 1.596 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1CC ZINC000353426263 445595441 /nfs/dbraw/zinc/59/54/41/445595441.db2.gz IWAHPYJILGYUNI-FGTMMUONSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)C1(C(=O)OC)CCC1 ZINC000353553117 445653630 /nfs/dbraw/zinc/65/36/30/445653630.db2.gz QCEFLUXCAGRUKH-HUUCEWRRSA-N 2 0 339.480 1.285 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000349808140 445685316 /nfs/dbraw/zinc/68/53/16/445685316.db2.gz PWXFGWXWWQWZSA-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356226720 445686180 /nfs/dbraw/zinc/68/61/80/445686180.db2.gz UXMUXGPPAXYOPP-HZPDHXFCSA-N 2 0 333.480 1.583 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000358658443 445697612 /nfs/dbraw/zinc/69/76/12/445697612.db2.gz DZIAEKHVNSJGNZ-WBVHZDCISA-N 2 0 328.501 1.109 20 0 EDADRP [NH3+]C1(C(=O)Nc2cccc(NC(=O)CC[NH+]3CCCCC3)c2)CC1 ZINC000353669544 445700341 /nfs/dbraw/zinc/70/03/41/445700341.db2.gz UZVUMFMWXDDQOQ-UHFFFAOYSA-N 2 0 330.432 1.931 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000356290087 445720472 /nfs/dbraw/zinc/72/04/72/445720472.db2.gz XJJFNNIJHKAHOH-IBGZPJMESA-N 2 0 349.519 1.966 20 0 EDADRP CN1Cc2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2C1 ZINC000349878255 445709122 /nfs/dbraw/zinc/70/91/22/445709122.db2.gz VIMZWOHGNOALJT-IRXDYDNUSA-N 2 0 342.443 1.314 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363179038 445710004 /nfs/dbraw/zinc/71/00/04/445710004.db2.gz CZMIIAKDMQFWPM-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000350118024 445772986 /nfs/dbraw/zinc/77/29/86/445772986.db2.gz OSGGCZOMHPRMMB-IXDOHACOSA-N 2 0 340.512 1.659 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C2CCCCC2)C1 ZINC000349932496 445724615 /nfs/dbraw/zinc/72/46/15/445724615.db2.gz JJLXGKZRAGVBNA-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[N@H+](C)C1CC1 ZINC000356328209 445736852 /nfs/dbraw/zinc/73/68/52/445736852.db2.gz DRJGKFYYCDWUPO-HNNXBMFYSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722427 445742481 /nfs/dbraw/zinc/74/24/81/445742481.db2.gz ODLUVBQVMGVOJD-LPHOPBHVSA-N 2 0 348.491 1.263 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccccc1 ZINC000358723026 445743001 /nfs/dbraw/zinc/74/30/01/445743001.db2.gz OXXVUZFVVCKMQG-HNAYVOBHSA-N 2 0 348.491 1.482 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000353937163 445818777 /nfs/dbraw/zinc/81/87/77/445818777.db2.gz GTJOYKTVJUESMW-APWZRJJASA-N 2 0 348.535 1.488 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000353940093 445819301 /nfs/dbraw/zinc/81/93/01/445819301.db2.gz AJJYRPXBKAJBHY-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000358809019 445786515 /nfs/dbraw/zinc/78/65/15/445786515.db2.gz SZOLVTSBLJNXQI-RCCFBDPRSA-N 2 0 349.523 1.035 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)CC(C)(C)C ZINC000361521786 445801975 /nfs/dbraw/zinc/80/19/75/445801975.db2.gz IWHLZJPMWFNSKW-INIZCTEOSA-N 2 0 327.513 1.827 20 0 EDADRP C[C@H]1C[C@H](C(=O)NCc2ccncc2OCCC[NH+](C)C)CC[N@@H+]1C ZINC000356479896 445813829 /nfs/dbraw/zinc/81/38/29/445813829.db2.gz QLUIVMHLIRTSPV-JKSUJKDBSA-N 2 0 348.491 1.759 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H](C)C1 ZINC000353979487 445837887 /nfs/dbraw/zinc/83/78/87/445837887.db2.gz QZGQJNDXIRBFMV-AJYUKVHDSA-N 2 0 336.524 1.390 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)C(C)C ZINC000354004068 445848784 /nfs/dbraw/zinc/84/87/84/445848784.db2.gz QKSZLKASLXDHKF-IRXDYDNUSA-N 2 0 342.528 1.592 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361626394 445854863 /nfs/dbraw/zinc/85/48/63/445854863.db2.gz XPCHXSRAXRVCCI-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363662280 445866260 /nfs/dbraw/zinc/86/62/60/445866260.db2.gz MWEZJSKUPGGXPI-WNRNVDISSA-N 2 0 337.508 1.866 20 0 EDADRP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000361753230 445916945 /nfs/dbraw/zinc/91/69/45/445916945.db2.gz HEHCYMDDRIXZMX-BRWVUGGUSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@@H]1COCCN1CC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000369191932 445981595 /nfs/dbraw/zinc/98/15/95/445981595.db2.gz CTETZPISFSIZLJ-QGZVFWFLSA-N 2 0 325.497 1.141 20 0 EDADRP O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373059883 445999711 /nfs/dbraw/zinc/99/97/11/445999711.db2.gz VRJOWALTAFUOHS-GUDVDZBRSA-N 2 0 343.471 1.488 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000361897940 446048417 /nfs/dbraw/zinc/04/84/17/446048417.db2.gz XUIGGOAHRIZJEY-QGZVFWFLSA-N 2 0 335.496 1.805 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208040 446001270 /nfs/dbraw/zinc/00/12/70/446001270.db2.gz NMLHBOTXBGPWPD-SJLPKXTDSA-N 2 0 338.540 1.780 20 0 EDADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000583261390 326037390 /nfs/dbraw/zinc/03/73/90/326037390.db2.gz YQFACVWXMFSXDU-HOTGVXAUSA-N 2 0 346.479 1.121 20 0 EDADRP C[C@@]1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCC[NH2+]C1 ZINC000583321183 326049979 /nfs/dbraw/zinc/04/99/79/326049979.db2.gz PJVGGALQVVEAFO-PKOBYXMFSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000356836145 446057741 /nfs/dbraw/zinc/05/77/41/446057741.db2.gz HBWPEIJPTBZGPQ-MSOLQXFVSA-N 2 0 332.492 1.998 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1[NH2+]CCc2ccccc21)C[NH+]1CCCC1 ZINC000583920947 326165315 /nfs/dbraw/zinc/16/53/15/326165315.db2.gz WVPGVCWOGZVSSG-CRAIPNDOSA-N 2 0 330.476 1.905 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc2nccn2c1 ZINC000584031363 326185546 /nfs/dbraw/zinc/18/55/46/326185546.db2.gz RQXZYLQPRINZQY-HNNXBMFYSA-N 2 0 341.415 1.406 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1ccccc1CN1CCOCC1)C1CC1 ZINC000584108117 326200451 /nfs/dbraw/zinc/20/04/51/326200451.db2.gz NFAHMKXCBPGHCR-LJQANCHMSA-N 3 0 333.476 1.064 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)c1 ZINC000584111096 326202011 /nfs/dbraw/zinc/20/20/11/326202011.db2.gz LQPJVFVCDNTTTI-DHSIGJKJSA-N 2 0 332.448 1.614 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359241640 446073910 /nfs/dbraw/zinc/07/39/10/446073910.db2.gz PLPFYOKDNFPGSX-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)n1 ZINC000356874457 446086040 /nfs/dbraw/zinc/08/60/40/446086040.db2.gz QGXNZCRGWPIHEK-FGTMMUONSA-N 2 0 325.460 1.858 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000366257022 446110526 /nfs/dbraw/zinc/11/05/26/446110526.db2.gz RAYIFQIHWRGFTP-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333746 446119816 /nfs/dbraw/zinc/11/98/16/446119816.db2.gz JQQIAYHIGBBBLV-HOCLYGCPSA-N 2 0 332.510 1.026 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@H]1C ZINC000354335000 446120639 /nfs/dbraw/zinc/12/06/39/446120639.db2.gz PMSPNWDZJLNCKC-QAETUUGQSA-N 2 0 326.481 1.791 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000351519341 446121907 /nfs/dbraw/zinc/12/19/07/446121907.db2.gz FJWSEHFJZHVQCL-IAGOWNOFSA-N 2 0 346.475 1.054 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000359356054 446169971 /nfs/dbraw/zinc/16/99/71/446169971.db2.gz YWMSJSBNEBUDCW-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN(CCC[NH3+])Cc2ccccc2)CC1 ZINC000359316703 446145440 /nfs/dbraw/zinc/14/54/40/446145440.db2.gz YGWVJGNRTSRPLP-UHFFFAOYSA-N 3 0 346.519 1.826 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365413289 446195435 /nfs/dbraw/zinc/19/54/35/446195435.db2.gz XJSSGMOCSLKLMF-CGZBRXJRSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000370323246 446229853 /nfs/dbraw/zinc/22/98/53/446229853.db2.gz DGVMIZNLXQRWKI-NUJGCVRESA-N 2 0 349.523 1.033 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000373515265 446245516 /nfs/dbraw/zinc/24/55/16/446245516.db2.gz LTQSNGCZHCRWLV-IKICRFKJSA-N 2 0 331.460 1.645 20 0 EDADRP CN(C[C@@H]1CC[N@H+](C)C1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000365528833 446241670 /nfs/dbraw/zinc/24/16/70/446241670.db2.gz RQSMYHDZMRRRNI-QGZVFWFLSA-N 2 0 330.476 1.704 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)cc2)[nH]1 ZINC000365558991 446254451 /nfs/dbraw/zinc/25/44/51/446254451.db2.gz UQEOVJJYIRRLEJ-DZGCQCFKSA-N 2 0 340.431 1.743 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC[NH+]1CCOCC1 ZINC000362197877 446257690 /nfs/dbraw/zinc/25/76/90/446257690.db2.gz DKUCUTGRPZGHIN-QRVBRYPASA-N 2 0 339.524 1.578 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000417338813 446346921 /nfs/dbraw/zinc/34/69/21/446346921.db2.gz KPLYYDDLSUFYQW-KYJSFNMBSA-N 2 0 328.460 1.437 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000362313761 446315943 /nfs/dbraw/zinc/31/59/43/446315943.db2.gz DQZYBGKLUIJMIQ-KRWDZBQOSA-N 2 0 333.476 1.786 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CCCn3cc(C)nc32)CC1 ZINC000366717300 446321665 /nfs/dbraw/zinc/32/16/65/446321665.db2.gz JFUFUOZURFRXEQ-OAHLLOKOSA-N 2 0 349.479 1.479 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417482981 446353872 /nfs/dbraw/zinc/35/38/72/446353872.db2.gz QQDBHDPLDOINRV-PBHICJAKSA-N 2 0 334.464 1.648 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2(C)CC[NH2+]CC2)CC1 ZINC000417545980 446363814 /nfs/dbraw/zinc/36/38/14/446363814.db2.gz LAWUSJGGVHWPBS-UHFFFAOYSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417541805 446363942 /nfs/dbraw/zinc/36/39/42/446363942.db2.gz YYAMCKXAAAWMFK-IYBDPMFKSA-N 2 0 340.512 1.789 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000365851894 446370586 /nfs/dbraw/zinc/37/05/86/446370586.db2.gz XIZHTRMCTDEOGJ-HKUYNNGSSA-N 2 0 331.460 1.252 20 0 EDADRP Cn1nnnc1CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000370649050 446372460 /nfs/dbraw/zinc/37/24/60/446372460.db2.gz BJYYTPZRRGSNHO-UHFFFAOYSA-N 2 0 326.448 1.698 20 0 EDADRP CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000417897444 446379178 /nfs/dbraw/zinc/37/91/78/446379178.db2.gz QLOGQVZOZFTQCO-SZMVWBNQSA-N 2 0 348.491 1.655 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)COc1ccccc1 ZINC000370670541 446379923 /nfs/dbraw/zinc/37/99/23/446379923.db2.gz DLYNXHLHPIJEAI-UMGGQSCQSA-N 2 0 348.487 1.905 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)N(C)C2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417922100 446387229 /nfs/dbraw/zinc/38/72/29/446387229.db2.gz IQLDARDHHKVFQZ-RDJZCZTQSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CN[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423124186 446430773 /nfs/dbraw/zinc/43/07/73/446430773.db2.gz MFUXFTVSLIPJJA-RBUKOAKNSA-N 2 0 348.491 1.269 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000418081306 446435297 /nfs/dbraw/zinc/43/52/97/446435297.db2.gz UZJUNYDPDJKTKP-MRXNPFEDSA-N 2 0 336.505 1.513 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418101716 446439765 /nfs/dbraw/zinc/43/97/65/446439765.db2.gz GLIPVRRSAQPASH-CGTJXYLNSA-N 2 0 330.476 1.887 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000423163308 446443807 /nfs/dbraw/zinc/44/38/07/446443807.db2.gz MOELEXBHUAOJEF-INIZCTEOSA-N 2 0 340.512 1.151 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)c1ccco1 ZINC000418158779 446444207 /nfs/dbraw/zinc/44/42/07/446444207.db2.gz BMZIGDXVQGNDMZ-QJPTWQEYSA-N 2 0 332.395 1.991 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000418172104 446445703 /nfs/dbraw/zinc/44/57/03/446445703.db2.gz OZTGRDAEXIHSSB-OAHLLOKOSA-N 2 0 347.507 1.532 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000423168688 446446667 /nfs/dbraw/zinc/44/66/67/446446667.db2.gz HVRWIIRMEJBAQK-JQWIXIFHSA-N 2 0 345.256 1.937 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423191482 446448971 /nfs/dbraw/zinc/44/89/71/446448971.db2.gz UFLXZDHEWHEJIL-ICSRJNTNSA-N 2 0 330.520 1.782 20 0 EDADRP Cc1cc(C)c(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)n1 ZINC000411145991 446409576 /nfs/dbraw/zinc/40/95/76/446409576.db2.gz DGTISEFYLHRDPA-HUUCEWRRSA-N 2 0 330.432 1.688 20 0 EDADRP C[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417998370 446411250 /nfs/dbraw/zinc/41/12/50/446411250.db2.gz UXNVFPGZLGDEPQ-DLBZAZTESA-N 2 0 332.448 1.492 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000418046685 446424522 /nfs/dbraw/zinc/42/45/22/446424522.db2.gz HRCZPJVVQLHETH-CYBMUJFWSA-N 2 0 336.867 1.701 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000418057906 446426398 /nfs/dbraw/zinc/42/63/98/446426398.db2.gz NVIIMQIXEBGZSA-ROUUACIJSA-N 2 0 330.476 1.542 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)nnn1-c1cccc(Cl)c1 ZINC000423205880 446454092 /nfs/dbraw/zinc/45/40/92/446454092.db2.gz PXXGMUIPZWWHLF-CYBMUJFWSA-N 2 0 348.882 1.785 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+](C)C)cc1 ZINC000418207208 446457440 /nfs/dbraw/zinc/45/74/40/446457440.db2.gz PCUYBRIPJAKSRD-XWTMOSNGSA-N 2 0 346.475 1.594 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000420306004 446470137 /nfs/dbraw/zinc/47/01/37/446470137.db2.gz HEWCBUHARSDQJW-AWEZNQCLSA-N 2 0 333.432 1.863 20 0 EDADRP COC(=O)c1ccc(NC(=O)CN2CCC([C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309235 446471063 /nfs/dbraw/zinc/47/10/63/446471063.db2.gz DQVJTYXHSAXEAL-INIZCTEOSA-N 2 0 345.443 1.733 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000420312187 446475452 /nfs/dbraw/zinc/47/54/52/446475452.db2.gz RTAOYQOHGHCFAJ-XEZPLFJOSA-N 2 0 333.432 1.147 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCCC2)cc1 ZINC000423302300 446480335 /nfs/dbraw/zinc/48/03/35/446480335.db2.gz VJWOCYTVQLVWCR-AYBZRNKSSA-N 2 0 329.444 1.700 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCCCC1 ZINC000418282912 446482603 /nfs/dbraw/zinc/48/26/03/446482603.db2.gz IPCAPBWROBOFNV-OAHLLOKOSA-N 2 0 326.485 1.184 20 0 EDADRP COc1ccccc1[C@H]1C[NH2+]CCN1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000420318096 446482921 /nfs/dbraw/zinc/48/29/21/446482921.db2.gz VTGUXBGMGZSJDI-SOLBZPMBSA-N 2 0 331.460 1.505 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000367041564 446484503 /nfs/dbraw/zinc/48/45/03/446484503.db2.gz YFCCOTFESQQTAI-SFHVURJKSA-N 2 0 345.487 1.770 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1CCOC ZINC000418299421 446491453 /nfs/dbraw/zinc/49/14/53/446491453.db2.gz SPDZJRNTSDFDIW-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423329009 446488945 /nfs/dbraw/zinc/48/89/45/446488945.db2.gz MOXZKQBPKJSGGD-OAGGEKHMSA-N 2 0 347.507 1.737 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH2+]CC2)c1 ZINC000418313747 446495744 /nfs/dbraw/zinc/49/57/44/446495744.db2.gz WEKMBOVKWHTEOZ-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423367997 446503235 /nfs/dbraw/zinc/50/32/35/446503235.db2.gz RUCLYYQOECGNNS-CQSZACIVSA-N 2 0 336.484 1.257 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418332357 446503772 /nfs/dbraw/zinc/50/37/72/446503772.db2.gz FHISSGKGZAKNRZ-YTQUADARSA-N 2 0 342.487 1.759 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000418335054 446505894 /nfs/dbraw/zinc/50/58/94/446505894.db2.gz YQMBVZOAPZNSNB-UHFFFAOYSA-N 2 0 339.443 1.664 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423373421 446506488 /nfs/dbraw/zinc/50/64/88/446506488.db2.gz BUGGKUKIXDJVMB-GOEBONIOSA-N 2 0 325.497 1.316 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H](C)[NH3+] ZINC000423373989 446506814 /nfs/dbraw/zinc/50/68/14/446506814.db2.gz CAWVLBFDNHEBQV-YOEHRIQHSA-N 2 0 348.491 1.214 20 0 EDADRP Cc1cccc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338233 446507123 /nfs/dbraw/zinc/50/71/23/446507123.db2.gz XOGMDRRJWXDKKE-HZPDHXFCSA-N 2 0 326.444 1.824 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418338867 446507407 /nfs/dbraw/zinc/50/74/07/446507407.db2.gz DNAIGCOMUGRVAR-DLBZAZTESA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H](C)[NH3+] ZINC000423378855 446510049 /nfs/dbraw/zinc/51/00/49/446510049.db2.gz LEAGSAMZGPLZBH-CRAIPNDOSA-N 2 0 335.492 1.905 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340667 446511077 /nfs/dbraw/zinc/51/10/77/446511077.db2.gz NCWLDGKXUBSEIV-LSDHHAIUSA-N 2 0 347.459 1.964 20 0 EDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383980 446512438 /nfs/dbraw/zinc/51/24/38/446512438.db2.gz JQNCZPYRKIFYFF-JSGCOSHPSA-N 2 0 331.386 1.223 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[NH2+][C@@H](C)C1 ZINC000420343205 446515552 /nfs/dbraw/zinc/51/55/52/446515552.db2.gz YKIDPSCESKRKLL-DLBZAZTESA-N 2 0 344.503 1.449 20 0 EDADRP CCOc1ccc(CN(C)C(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420330450 446498394 /nfs/dbraw/zinc/49/83/94/446498394.db2.gz ICCSAUNEQARRDT-HDICACEKSA-N 2 0 345.487 1.975 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418489584 446563305 /nfs/dbraw/zinc/56/33/05/446563305.db2.gz NVUHZRQKMMIWCO-CJNGLKHVSA-N 2 0 340.418 1.709 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000423416810 446525112 /nfs/dbraw/zinc/52/51/12/446525112.db2.gz RGXZIJOTNBOHBZ-UHFFFAOYSA-N 2 0 340.512 1.010 20 0 EDADRP CCc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420349670 446527365 /nfs/dbraw/zinc/52/73/65/446527365.db2.gz QATVXBMZNFJWNE-IBGZPJMESA-N 2 0 344.503 1.187 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423426210 446530935 /nfs/dbraw/zinc/53/09/35/446530935.db2.gz HLKAKFMVNJBZHM-IRXDYDNUSA-N 2 0 347.459 1.247 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000418414273 446535418 /nfs/dbraw/zinc/53/54/18/446535418.db2.gz ZPSNPSLIBGJNQB-KCXAZCMYSA-N 2 0 338.402 1.447 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cc(C(F)(F)F)c[nH]c2=O)CC1 ZINC000433150063 446537419 /nfs/dbraw/zinc/53/74/19/446537419.db2.gz VLGZJJTZTURVDD-UHFFFAOYSA-N 2 0 346.353 1.948 20 0 EDADRP CCc1nccn1[C@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433144046 446537767 /nfs/dbraw/zinc/53/77/67/446537767.db2.gz AYAPECNWMMJMGW-KRWDZBQOSA-N 2 0 347.507 1.812 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21)N1CC[NH2+]CC1 ZINC000420362172 446541623 /nfs/dbraw/zinc/54/16/23/446541623.db2.gz APYUYFSPZUYXQA-INIZCTEOSA-N 2 0 341.459 1.323 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375048957 446542718 /nfs/dbraw/zinc/54/27/18/446542718.db2.gz KVXCEASNQWDBMO-NVXWUHKLSA-N 2 0 331.460 1.793 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@]2(C)CCCO)CC1 ZINC000411443301 446547456 /nfs/dbraw/zinc/54/74/56/446547456.db2.gz RJEGDCYSOQNUMU-SFHVURJKSA-N 2 0 325.497 1.602 20 0 EDADRP CCC[C@@H]1CN(Cc2nc(C(C)(C)[NH3+])no2)CC[N@@H+]1CCOC ZINC000420370613 446549607 /nfs/dbraw/zinc/54/96/07/446549607.db2.gz JUWFDHQTOAWSOB-CYBMUJFWSA-N 2 0 325.457 1.196 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433227400 446551215 /nfs/dbraw/zinc/55/12/15/446551215.db2.gz RLLRDYITWUPGIG-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP c1ccc2c(c1)cncc2N1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000420372157 446551691 /nfs/dbraw/zinc/55/16/91/446551691.db2.gz LFWJKHUOXPGZIF-UHFFFAOYSA-N 2 0 325.460 1.262 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000418467784 446555310 /nfs/dbraw/zinc/55/53/10/446555310.db2.gz ONXSEKMUWCDWCC-INIZCTEOSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418611400 446614054 /nfs/dbraw/zinc/61/40/54/446614054.db2.gz AWOFOOKUAVPWJN-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)NCCCC[NH3+])CC2)C[C@@H](C)O1 ZINC000418507792 446572122 /nfs/dbraw/zinc/57/21/22/446572122.db2.gz JPXUYVIRUOSPJY-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1 ZINC000418546932 446588230 /nfs/dbraw/zinc/58/82/30/446588230.db2.gz IEMPEGQRQZOHMS-SQNIBIBYSA-N 2 0 346.475 1.063 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418552090 446590550 /nfs/dbraw/zinc/59/05/50/446590550.db2.gz LZVCSVUHTNTQOE-IRXDYDNUSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418668822 446641950 /nfs/dbraw/zinc/64/19/50/446641950.db2.gz ITUGLHQQDISPBT-BGTYHANMSA-N 2 0 328.460 1.510 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453762629 446643485 /nfs/dbraw/zinc/64/34/85/446643485.db2.gz WTICKGNWULYLFV-BLLLJJGKSA-N 2 0 332.448 1.240 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000376721880 446678052 /nfs/dbraw/zinc/67/80/52/446678052.db2.gz RFFDUUMZHBNEIH-KRWDZBQOSA-N 2 0 331.460 1.145 20 0 EDADRP CCCNC(=O)C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371156583 446660047 /nfs/dbraw/zinc/66/00/47/446660047.db2.gz KPVVGZUFAYIDIR-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP CCOC(=O)c1nn(C)cc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368136262 446661460 /nfs/dbraw/zinc/66/14/60/446661460.db2.gz UHORZKWRTHJMKB-OAHLLOKOSA-N 2 0 334.464 1.761 20 0 EDADRP CN(C(=O)N[C@@H](CC[NH3+])C(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418745104 446666045 /nfs/dbraw/zinc/66/60/45/446666045.db2.gz VFWHKBMCTKRXID-CABCVRRESA-N 2 0 340.418 1.885 20 0 EDADRP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000368148143 446668934 /nfs/dbraw/zinc/66/89/34/446668934.db2.gz JRIRIPJGKWVGMI-MAUKXSAKSA-N 2 0 342.503 1.199 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000411632583 446627862 /nfs/dbraw/zinc/62/78/62/446627862.db2.gz QKIKDUAXOAWJOO-UHOSZYNNSA-N 2 0 349.519 1.913 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[N@@H+](C2CC2)C1 ZINC000418642200 446628957 /nfs/dbraw/zinc/62/89/57/446628957.db2.gz SVWLNNOTDIRUIK-DNVCBOLYSA-N 2 0 342.487 1.999 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418645001 446630371 /nfs/dbraw/zinc/63/03/71/446630371.db2.gz VQKMGNVHNREPME-SJLPKXTDSA-N 2 0 330.476 1.999 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423770332 446696562 /nfs/dbraw/zinc/69/65/62/446696562.db2.gz DCEJJLZURHPXGN-MJGOQNOKSA-N 2 0 345.487 1.878 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000423772147 446698030 /nfs/dbraw/zinc/69/80/30/446698030.db2.gz KMURAZVKNVBJLF-JTOWHCCKSA-N 2 0 325.497 1.756 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)c1 ZINC000418779726 446698774 /nfs/dbraw/zinc/69/87/74/446698774.db2.gz BMSUCLMLXUIESW-ZIAGYGMSSA-N 2 0 333.436 1.049 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423836689 446725202 /nfs/dbraw/zinc/72/52/02/446725202.db2.gz AKQNAHHMSKBMRY-QRVBRYPASA-N 2 0 345.487 1.782 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846365 446728765 /nfs/dbraw/zinc/72/87/65/446728765.db2.gz PBNHSZYVLOHDIW-QFBILLFUSA-N 2 0 333.476 1.639 20 0 EDADRP CC(C)(CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000418825463 446730863 /nfs/dbraw/zinc/73/08/63/446730863.db2.gz BKHNAPMEKSJBER-INIZCTEOSA-N 2 0 346.475 1.183 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000418828256 446735213 /nfs/dbraw/zinc/73/52/13/446735213.db2.gz WACUUUOFFRSBKA-DLBZAZTESA-N 2 0 346.475 1.054 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc2)CC1 ZINC000423965226 446799852 /nfs/dbraw/zinc/79/98/52/446799852.db2.gz XYVAXWBWJHZYKL-KRWDZBQOSA-N 2 0 332.492 1.932 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CCC[N@@H+]1C ZINC000423930102 446782210 /nfs/dbraw/zinc/78/22/10/446782210.db2.gz JTCILMMORKNMAT-BUIAKZPTSA-N 2 0 347.507 1.827 20 0 EDADRP CCN1CCO[C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H]1c1ccccc1 ZINC000423934459 446785933 /nfs/dbraw/zinc/78/59/33/446785933.db2.gz VTDFUFRBFAUKQM-JENIJYKNSA-N 2 0 331.460 1.564 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032995 446795400 /nfs/dbraw/zinc/79/54/00/446795400.db2.gz IDCJJUYUBSSRNI-PBWTXFEYSA-N 2 0 345.487 1.468 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCCOC2)[C@@H](C)C1 ZINC000371285699 446743081 /nfs/dbraw/zinc/74/30/81/446743081.db2.gz VQBXTVSAWXCLDM-OKZBNKHCSA-N 2 0 325.497 1.188 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000418938453 446811271 /nfs/dbraw/zinc/81/12/71/446811271.db2.gz DUTXGTKCFFOFOH-OAHLLOKOSA-N 2 0 348.491 1.257 20 0 EDADRP CNC(=O)[C@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000375469644 446824466 /nfs/dbraw/zinc/82/44/66/446824466.db2.gz MLGKUFJBOOYWMS-ZACQAIPSSA-N 2 0 333.480 1.056 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CCOc3ccccc32)CC1 ZINC000371421256 446843781 /nfs/dbraw/zinc/84/37/81/446843781.db2.gz PDULEMHTKPLJGF-KRWDZBQOSA-N 2 0 345.487 1.943 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419013607 446866568 /nfs/dbraw/zinc/86/65/68/446866568.db2.gz GQZLBMSKBFDAMN-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)NCC([NH3+])(CC)CC)c1 ZINC000419027775 446873539 /nfs/dbraw/zinc/87/35/39/446873539.db2.gz QGJUSGPUAGCYLH-UHFFFAOYSA-N 2 0 348.491 1.388 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000412143481 446878493 /nfs/dbraw/zinc/87/84/93/446878493.db2.gz ZLKIZUVIOLSYQQ-HZPDHXFCSA-N 2 0 325.522 1.757 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000412188275 446890122 /nfs/dbraw/zinc/89/01/22/446890122.db2.gz VWXIXFKBIAEELD-XOKHGSTOSA-N 2 0 337.533 1.803 20 0 EDADRP CSCCC[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000377118161 446931331 /nfs/dbraw/zinc/93/13/31/446931331.db2.gz ZHXYFQMPHWBYKJ-OAHLLOKOSA-N 2 0 331.526 1.144 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000419121368 446936746 /nfs/dbraw/zinc/93/67/46/446936746.db2.gz DJCGBRWEFVSRRY-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC(C[NH3+])CC1)CC(C)C ZINC000419125142 446937814 /nfs/dbraw/zinc/93/78/14/446937814.db2.gz JGCOAHKAUDCUSN-INIZCTEOSA-N 2 0 340.512 1.056 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000443058086 447000559 /nfs/dbraw/zinc/00/05/59/447000559.db2.gz JCLFUHJHXAVQDX-CQSZACIVSA-N 2 0 335.448 1.381 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375802674 447063519 /nfs/dbraw/zinc/06/35/19/447063519.db2.gz VQCDYMUFKJFVSS-KSZLIROESA-N 2 0 331.460 1.887 20 0 EDADRP C[N@H+](C[C@](C)(O)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829842 447085055 /nfs/dbraw/zinc/08/50/55/447085055.db2.gz HTOBPVZIYBVDOP-PMACEKPBSA-N 2 0 331.504 1.994 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1(C)C ZINC000444172463 447087950 /nfs/dbraw/zinc/08/79/50/447087950.db2.gz RLUAKMLOQGUYDL-MBOZVWFJSA-N 2 0 347.503 1.808 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)[C@@H](C)[C@H]2C)C1 ZINC000419394525 447148906 /nfs/dbraw/zinc/14/89/06/447148906.db2.gz PHEFQPHWTIKHRS-YLFCFFPRSA-N 2 0 325.497 1.436 20 0 EDADRP c1ccc(N2CC[C@H](Nc3nccc(N[C@H]4CCCOC4)n3)C2)nc1 ZINC000372573801 447153105 /nfs/dbraw/zinc/15/31/05/447153105.db2.gz WKURDCXTALMRDG-GJZGRUSLSA-N 2 0 340.431 2.153 20 0 EDADRP CS[C@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000425361233 447128360 /nfs/dbraw/zinc/12/83/60/447128360.db2.gz UCWKQPALSAAWHI-ULQDDVLXSA-N 2 0 335.517 1.759 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccn1 ZINC000375896780 447129218 /nfs/dbraw/zinc/12/92/18/447129218.db2.gz ZZQZMQSSXCPEDY-RCCFBDPRSA-N 3 0 332.492 1.984 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000368879177 447174618 /nfs/dbraw/zinc/17/46/18/447174618.db2.gz XJXPDHMAXPTJDR-HNNXBMFYSA-N 2 0 339.528 1.184 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CC[NH+](Cc2cccs2)CC1 ZINC000377529378 447184076 /nfs/dbraw/zinc/18/40/76/447184076.db2.gz CAKCFPQCZCSDLL-CQSZACIVSA-N 2 0 339.461 1.109 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000425485120 447186951 /nfs/dbraw/zinc/18/69/51/447186951.db2.gz XMRMQOUINCPOJU-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)C(C)(C)C[NH+](C)C ZINC000419540384 447251817 /nfs/dbraw/zinc/25/18/17/447251817.db2.gz HKWQXRLKMJQNNZ-AWEZNQCLSA-N 2 0 340.512 1.247 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455857570 447243222 /nfs/dbraw/zinc/24/32/22/447243222.db2.gz OSIPNDAHPLLFQM-KRWDZBQOSA-N 2 0 334.464 1.671 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)cn1C ZINC000377648711 447270124 /nfs/dbraw/zinc/27/01/24/447270124.db2.gz LKKMLKVCFODQKD-BHYGNILZSA-N 2 0 349.475 1.791 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000447597306 447280016 /nfs/dbraw/zinc/28/00/16/447280016.db2.gz SDPSKZLNLOXFGC-UHFFFAOYSA-N 2 0 331.460 1.987 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000458707005 447458054 /nfs/dbraw/zinc/45/80/54/447458054.db2.gz OFQVCOQKYOAOHG-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000415469478 447460450 /nfs/dbraw/zinc/46/04/50/447460450.db2.gz XLHGHFLMYGOBCR-NVXWUHKLSA-N 2 0 346.475 1.711 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)C[NH3+])c2C1 ZINC000415506530 447486035 /nfs/dbraw/zinc/48/60/35/447486035.db2.gz BDAMXTMFAHCGID-KBPBESRZSA-N 2 0 346.475 1.696 20 0 EDADRP C[C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CCN1C1CC[NH+](C)CC1 ZINC000426938669 447518648 /nfs/dbraw/zinc/51/86/48/447518648.db2.gz BIUQNEKECTVNRA-YJBOKZPZSA-N 2 0 334.508 1.240 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)CN1CCOCC1 ZINC000385478151 447469454 /nfs/dbraw/zinc/46/94/54/447469454.db2.gz FBLLTXUSDQWRMG-UXHICEINSA-N 2 0 347.503 1.181 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000416211861 447541162 /nfs/dbraw/zinc/54/11/62/447541162.db2.gz XATYTHPCWWVSLK-IRXDYDNUSA-N 2 0 345.487 1.348 20 0 EDADRP CC1CC[NH+](CC(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000427154697 447554433 /nfs/dbraw/zinc/55/44/33/447554433.db2.gz JAJJQTGZFRENQL-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@@H]1CCCC[NH+]1CCO)C1CC1 ZINC000459156346 447597877 /nfs/dbraw/zinc/59/78/77/447597877.db2.gz LPBJJOGETIXMDZ-INIZCTEOSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@@H]1CC[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000459165491 447603730 /nfs/dbraw/zinc/60/37/30/447603730.db2.gz MMKFNPUTEFHADD-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420126667 447619800 /nfs/dbraw/zinc/61/98/00/447619800.db2.gz NZNJXWNMBINFNX-PBHICJAKSA-N 2 0 346.475 1.265 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)C[C@@H]2C(N)=O)CC1 ZINC000428459554 447703485 /nfs/dbraw/zinc/70/34/85/447703485.db2.gz MMJDXLSCOMUCNN-QFBILLFUSA-N 2 0 344.503 1.914 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1CCC[NH+]1CCCO)Cc1ccccc1 ZINC000457921207 447672566 /nfs/dbraw/zinc/67/25/66/447672566.db2.gz BQJJYSSUPWNFDV-SFHVURJKSA-N 2 0 348.491 1.264 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)CN1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422641951 447685066 /nfs/dbraw/zinc/68/50/66/447685066.db2.gz YTSDRMUFOAUTQU-KFWWJZLASA-N 2 0 347.459 1.741 20 0 EDADRP COc1ccc(NC(=O)NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422641687 447685084 /nfs/dbraw/zinc/68/50/84/447685084.db2.gz YJAPYVYLQDFAFP-MCIONIFRSA-N 2 0 348.447 1.649 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000416943723 447719371 /nfs/dbraw/zinc/71/93/71/447719371.db2.gz CSIOPFUMXYYSQH-HNNXBMFYSA-N 2 0 327.517 1.075 20 0 EDADRP C[C@@H]([NH2+]CCN1CCN(C(=O)C2CCCCC2)CC1)[C@H]1CC[NH2+]C1 ZINC000422710281 447722748 /nfs/dbraw/zinc/72/27/48/447722748.db2.gz FOWYWFSJBVUZMP-AEFFLSMTSA-N 2 0 336.524 1.299 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023362 447731441 /nfs/dbraw/zinc/73/14/41/447731441.db2.gz PGKQZESBUPECPM-XYJFISCASA-N 2 0 347.507 1.400 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422740529 447735464 /nfs/dbraw/zinc/73/54/64/447735464.db2.gz MWNYATPXYPOXOP-ZJPYXAASSA-N 2 0 336.524 1.474 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000422834519 447764819 /nfs/dbraw/zinc/76/48/19/447764819.db2.gz HRCXPPQHNFWGHG-QFBILLFUSA-N 2 0 347.503 1.500 20 0 EDADRP C[NH+](C)C1(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CCCC1 ZINC000496199711 447742054 /nfs/dbraw/zinc/74/20/54/447742054.db2.gz KMUUBZKNKYPBLL-UHFFFAOYSA-N 2 0 327.473 1.499 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccn(-c2ccc(F)cc2)n1 ZINC000422792113 447750888 /nfs/dbraw/zinc/75/08/88/447750888.db2.gz QOWNDCLZBASGMJ-VHSSKADRSA-N 2 0 332.423 1.896 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)C(=O)N1CCCC1 ZINC000422840856 447765987 /nfs/dbraw/zinc/76/59/87/447765987.db2.gz CGOZEOKMYPGGKY-MSOLQXFVSA-N 2 0 333.476 1.564 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000422830986 447762311 /nfs/dbraw/zinc/76/23/11/447762311.db2.gz RVCPJZIODJBNJY-UHFFFAOYSA-N 2 0 336.480 1.738 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422914418 447771369 /nfs/dbraw/zinc/77/13/69/447771369.db2.gz UDDYQNQBMFXQRB-IBGZPJMESA-N 3 0 344.503 1.744 20 0 EDADRP C[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422914451 447771506 /nfs/dbraw/zinc/77/15/06/447771506.db2.gz UGQLCYOQTDTZHG-YJBOKZPZSA-N 2 0 332.492 1.598 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000430713805 447784421 /nfs/dbraw/zinc/78/44/21/447784421.db2.gz IYPONECUCXMURT-MRXNPFEDSA-N 2 0 332.448 1.306 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423022593 447793366 /nfs/dbraw/zinc/79/33/66/447793366.db2.gz FPRMNIROZZGKSK-SWDXFRIISA-N 2 0 344.503 1.148 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000462005198 447797912 /nfs/dbraw/zinc/79/79/12/447797912.db2.gz FKYNZEZKTFQWTJ-XHSDSOJGSA-N 2 0 328.501 1.202 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000462005788 447798327 /nfs/dbraw/zinc/79/83/27/447798327.db2.gz VEHQUXKYWXRCGW-OAGGEKHMSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423097200 447804562 /nfs/dbraw/zinc/80/45/62/447804562.db2.gz JDJZGBCTVJGHBF-NEPJUHHUSA-N 2 0 333.885 1.724 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000488179660 447842723 /nfs/dbraw/zinc/84/27/23/447842723.db2.gz INOASKZAEJNFMB-CRAIPNDOSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000549126782 447865002 /nfs/dbraw/zinc/86/50/02/447865002.db2.gz JUGUEAVGZGLEEX-FUHWJXTLSA-N 2 0 331.460 1.345 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCCN2CCO[C@@H](CC)C2)C1 ZINC000488393472 447846435 /nfs/dbraw/zinc/84/64/35/447846435.db2.gz RSRJRDZPNMSGAK-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP CS[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH+]1CCCC1 ZINC000487096012 447827416 /nfs/dbraw/zinc/82/74/16/447827416.db2.gz MRJWEYKDVFSUNR-CVEARBPZSA-N 2 0 325.522 1.757 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]C[C@@H]3CCSC3)CC2)nc1 ZINC000487284184 447828779 /nfs/dbraw/zinc/82/87/79/447828779.db2.gz ZHFSMEBUBKWDMB-INIZCTEOSA-N 2 0 335.521 1.722 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000575984817 447943016 /nfs/dbraw/zinc/94/30/16/447943016.db2.gz HXYBXSCIXHKGJA-ALOPSCKCSA-N 2 0 347.503 1.572 20 0 EDADRP C[C@H](C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)c1cccnc1 ZINC000530804148 447961435 /nfs/dbraw/zinc/96/14/35/447961435.db2.gz XHWQODJUJPPSHM-AWEZNQCLSA-N 2 0 325.416 1.971 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000525248945 447983028 /nfs/dbraw/zinc/98/30/28/447983028.db2.gz JMULAEYDJVSTIN-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CC(C)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCN(C)CC1 ZINC000576210412 447999892 /nfs/dbraw/zinc/99/98/92/447999892.db2.gz KKUVALUKHZAJOB-SFHVURJKSA-N 2 0 345.491 1.683 20 0 EDADRP CN(C(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000531059423 448011998 /nfs/dbraw/zinc/01/19/98/448011998.db2.gz MRQSXPTVWPTKGH-IEBWSBKVSA-N 2 0 331.460 1.176 20 0 EDADRP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000530819342 447965645 /nfs/dbraw/zinc/96/56/45/447965645.db2.gz SYZWNLUAVIZPKI-ICSRJNTNSA-N 2 0 343.471 1.319 20 0 EDADRP C[C@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496854603 447972172 /nfs/dbraw/zinc/97/21/72/447972172.db2.gz GTUBTHDPUBLWLP-SZMVWBNQSA-N 2 0 347.459 1.754 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000576106946 447974745 /nfs/dbraw/zinc/97/47/45/447974745.db2.gz YFNOHGBHWKLKMI-KSZLIROESA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000576409732 448048463 /nfs/dbraw/zinc/04/84/63/448048463.db2.gz AMAJQRYFAPCTME-IRXDYDNUSA-N 2 0 336.524 1.203 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]C[C@@H]2CCCN2CCCO)CC1 ZINC000497301369 448054943 /nfs/dbraw/zinc/05/49/43/448054943.db2.gz QCJMEADKORAWIJ-KRWDZBQOSA-N 2 0 341.496 1.680 20 0 EDADRP Cc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)c(-c2ccnn2C)c1 ZINC000554921855 448056541 /nfs/dbraw/zinc/05/65/41/448056541.db2.gz DTNRDGOVKKDPMS-UHFFFAOYSA-N 2 0 328.460 1.942 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNc2cc(NC[C@H]3CCC[C@@H]([NH3+])C3)ncn2)C1 ZINC000570739936 448058747 /nfs/dbraw/zinc/05/87/47/448058747.db2.gz GRMPUONERDPPHZ-QKPAOTATSA-N 2 0 332.496 2.335 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402377 448077876 /nfs/dbraw/zinc/07/78/76/448077876.db2.gz NIUNGNSFQIKCIU-RDJZCZTQSA-N 2 0 335.496 1.398 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)C1 ZINC000501728624 448096514 /nfs/dbraw/zinc/09/65/14/448096514.db2.gz MOXHEDWQMCYZBH-KKUMJFAQSA-N 2 0 328.501 1.323 20 0 EDADRP CN1CCN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)[C@@H](C[NH3+])C1 ZINC000570784850 448062906 /nfs/dbraw/zinc/06/29/06/448062906.db2.gz ZBWOMJJXMLPNSH-HOTGVXAUSA-N 2 0 349.479 1.091 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000571438717 448154894 /nfs/dbraw/zinc/15/48/94/448154894.db2.gz DZWKKEFICSWUSD-IAGOWNOFSA-N 2 0 337.439 1.077 20 0 EDADRP COC[C@]1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871966 448158360 /nfs/dbraw/zinc/15/83/60/448158360.db2.gz MQRJOZCTKFZLHO-IEBWSBKVSA-N 2 0 346.475 1.178 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3cccnc3)C2)CC1 ZINC000576763286 448134041 /nfs/dbraw/zinc/13/40/41/448134041.db2.gz HPVMEHVCFRVHSQ-SFHVURJKSA-N 2 0 345.491 1.511 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)N(C)C ZINC000571316252 448136755 /nfs/dbraw/zinc/13/67/55/448136755.db2.gz YQQWBOVVVSRQKV-NSHGMRRFSA-N 2 0 348.535 1.184 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000497071222 448174450 /nfs/dbraw/zinc/17/44/50/448174450.db2.gz KJXGZTLEUZSOMZ-SFHVURJKSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000571618259 448178800 /nfs/dbraw/zinc/17/88/00/448178800.db2.gz XQVFWLCGSIAVEX-TWMKSMIVSA-N 2 0 338.496 1.269 20 0 EDADRP CC[C@@H](C)Oc1cc(C)ccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000577055577 448201474 /nfs/dbraw/zinc/20/14/74/448201474.db2.gz SXTFTOLQCSOAMP-IEBWSBKVSA-N 2 0 349.519 1.870 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000571795578 448208491 /nfs/dbraw/zinc/20/84/91/448208491.db2.gz GHPPYWCOZZZURF-BZSNNMDCSA-N 2 0 338.540 1.672 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000527119717 448163951 /nfs/dbraw/zinc/16/39/51/448163951.db2.gz OCDOHSJRCQOSAH-GOSISDBHSA-N 2 0 346.475 1.132 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556860241 448167128 /nfs/dbraw/zinc/16/71/28/448167128.db2.gz ZCYWCSHGZAOLSP-HNNXBMFYSA-N 2 0 346.475 1.696 20 0 EDADRP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[C@H](C)N1CCOCC1 ZINC000514588885 448167293 /nfs/dbraw/zinc/16/72/93/448167293.db2.gz DBYUBMUZNFIPIC-YDHLFZDLSA-N 2 0 347.463 1.128 20 0 EDADRP CC(C)[C@@H]1C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000576921490 448168851 /nfs/dbraw/zinc/16/88/51/448168851.db2.gz AKQMZFKFYDEGTH-IRXDYDNUSA-N 2 0 342.528 1.572 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897544 448231825 /nfs/dbraw/zinc/23/18/25/448231825.db2.gz PMUNCNXIECCYDM-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532230535 448218638 /nfs/dbraw/zinc/21/86/38/448218638.db2.gz DBMBXERWOQYGOG-GJZGRUSLSA-N 2 0 330.476 1.858 20 0 EDADRP CSc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1 ZINC000527381566 448221828 /nfs/dbraw/zinc/22/18/28/448221828.db2.gz PRQQOIKZKZWPQM-UHFFFAOYSA-N 2 0 325.482 1.761 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000591101796 448261729 /nfs/dbraw/zinc/26/17/29/448261729.db2.gz DYUXDTGPZTWSNB-HDICACEKSA-N 2 0 338.540 1.735 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000572177004 448308008 /nfs/dbraw/zinc/30/80/08/448308008.db2.gz MWNPIUBKVITTEV-HNNXBMFYSA-N 2 0 334.464 1.740 20 0 EDADRP Cc1ccc(S(=O)(=O)NCCN[C@@H](C)[C@@H]2CCCC[NH2+]2)s1 ZINC000515233052 448279166 /nfs/dbraw/zinc/27/91/66/448279166.db2.gz FGHQRMASEAVNDS-STQMWFEESA-N 2 0 331.507 1.455 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000577382653 448282093 /nfs/dbraw/zinc/28/20/93/448282093.db2.gz MEDPAOGCPSCXFF-ZDUSSCGKSA-N 2 0 326.404 1.101 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000572112524 448289427 /nfs/dbraw/zinc/28/94/27/448289427.db2.gz ODKYWVOBYMFATR-MISYRCLQSA-N 2 0 348.487 1.702 20 0 EDADRP COc1ccc(CC[C@H](C)[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000582660588 448304003 /nfs/dbraw/zinc/30/40/03/448304003.db2.gz KBRBXNZQWPBVJU-FUHWJXTLSA-N 2 0 335.492 1.214 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079191 448418793 /nfs/dbraw/zinc/41/87/93/448418793.db2.gz LWBAOIUFQWBEFZ-FQEVSTJZSA-N 2 0 347.503 1.188 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)c1 ZINC000572475439 448387749 /nfs/dbraw/zinc/38/77/49/448387749.db2.gz CNDDNFHOFYHAHY-UHFFFAOYSA-N 2 0 342.447 2.561 20 0 EDADRP C[N@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CCN1CC[NH2+]CC1 ZINC000516292995 448409972 /nfs/dbraw/zinc/40/99/72/448409972.db2.gz VOBRKEFCCUBODK-UHFFFAOYSA-N 2 0 345.466 1.985 20 0 EDADRP O=C(C1CC[NH+]([C@H]2CCSC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000572615235 448424406 /nfs/dbraw/zinc/42/44/06/448424406.db2.gz UXGFWJIKLOJHEU-IRXDYDNUSA-N 2 0 337.533 1.901 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)Cc3ccccc3)CC2)CC1 ZINC000516563206 448437817 /nfs/dbraw/zinc/43/78/17/448437817.db2.gz ZFLRYQDBFBZRKH-HXUWFJFHSA-N 2 0 331.504 1.738 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000572713948 448445470 /nfs/dbraw/zinc/44/54/70/448445470.db2.gz OJKIPCXRWMLHPO-GJZGRUSLSA-N 2 0 336.432 1.477 20 0 EDADRP CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000578047269 448448709 /nfs/dbraw/zinc/44/87/09/448448709.db2.gz PACJMVYHHJBUKR-LBPRGKRZSA-N 2 0 339.827 1.405 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCOC2(C[NH2+]C2)C1)[NH+](C)C ZINC000572825050 448472219 /nfs/dbraw/zinc/47/22/19/448472219.db2.gz JZYRVEOMFBWFEA-WBVHZDCISA-N 2 0 346.475 1.370 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000578545059 448576599 /nfs/dbraw/zinc/57/65/99/448576599.db2.gz CMOGZASKESTQSZ-LSDHHAIUSA-N 2 0 344.459 1.954 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)CC1 ZINC000573437564 448626366 /nfs/dbraw/zinc/62/63/66/448626366.db2.gz FIXTUZPPWMEYFC-HNNXBMFYSA-N 2 0 336.432 1.477 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(N3CCOCC3)CC2)[C@H](C)C1 ZINC000517495977 448586878 /nfs/dbraw/zinc/58/68/78/448586878.db2.gz XTBNLZWXVPNEPM-MSOLQXFVSA-N 2 0 339.524 1.578 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000518123239 448647618 /nfs/dbraw/zinc/64/76/18/448647618.db2.gz DYEOBVZSGVDKOC-QZTJIDSGSA-N 2 0 330.476 1.752 20 0 EDADRP CN(C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC([NH3+])C1 ZINC000578850353 448650904 /nfs/dbraw/zinc/65/09/04/448650904.db2.gz PGMBVUKEJPPCFO-DAWZGUTISA-N 2 0 346.475 1.409 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000528681626 448628661 /nfs/dbraw/zinc/62/86/61/448628661.db2.gz PBEYSMPKQIQPNF-HNNXBMFYSA-N 2 0 336.436 1.127 20 0 EDADRP [NH3+]C1(CNC(=O)NCC[N@H+]2CC=CCC2)C2CC3CC(C2)CC1C3 ZINC000579217204 448741817 /nfs/dbraw/zinc/74/18/17/448741817.db2.gz VZIQAKWRRFHXDC-UHFFFAOYSA-N 2 0 332.492 1.701 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)nc1 ZINC000579231605 448748267 /nfs/dbraw/zinc/74/82/67/448748267.db2.gz MLSMTCYRUZJXJT-INIZCTEOSA-N 2 0 334.464 1.545 20 0 EDADRP C[NH+]1CCC[C@H](CNc2cncc(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000579267068 448758265 /nfs/dbraw/zinc/75/82/65/448758265.db2.gz ZUXGWKJBJZBGSY-HZPDHXFCSA-N 2 0 332.496 1.984 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000568051620 448807253 /nfs/dbraw/zinc/80/72/53/448807253.db2.gz UJDLZRKTVHZFQE-CRAIPNDOSA-N 2 0 329.448 1.622 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529291546 448810370 /nfs/dbraw/zinc/81/03/70/448810370.db2.gz IMUJOUUYOMHJJC-QGZVFWFLSA-N 2 0 328.460 1.629 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000579348294 448772327 /nfs/dbraw/zinc/77/23/27/448772327.db2.gz AHAFFZJOJQEZML-CYBMUJFWSA-N 2 0 344.459 1.463 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000574058180 448783469 /nfs/dbraw/zinc/78/34/69/448783469.db2.gz HPIVALRBTDVLLZ-QAPCUYQASA-N 2 0 346.475 1.111 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592450725 448844370 /nfs/dbraw/zinc/84/43/70/448844370.db2.gz WNJHOLJLCUIFMR-WFASDCNBSA-N 2 0 343.431 1.158 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)nc1 ZINC000592471080 448851621 /nfs/dbraw/zinc/85/16/21/448851621.db2.gz XYWFLXZGKHZILE-CWRNSKLLSA-N 2 0 344.459 1.425 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000568513322 448884059 /nfs/dbraw/zinc/88/40/59/448884059.db2.gz ZKQYQMVGEVXDGR-LTCOOKNTSA-N 2 0 329.444 1.827 20 0 EDADRP Cc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000579818352 448884514 /nfs/dbraw/zinc/88/45/14/448884514.db2.gz RYQDQVZDYYWPEC-ICSRJNTNSA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCc2[nH]cnc2C1)Cc1ccccc1 ZINC000520676752 448921250 /nfs/dbraw/zinc/92/12/50/448921250.db2.gz XNQALYBLQCLIQE-CVEARBPZSA-N 2 0 341.459 1.739 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000574690297 448934306 /nfs/dbraw/zinc/93/43/06/448934306.db2.gz CQMQNZOHMZUSSW-HZPDHXFCSA-N 2 0 325.497 1.674 20 0 EDADRP COc1ccc(C[C@@H](C)CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000569215115 448981103 /nfs/dbraw/zinc/98/11/03/448981103.db2.gz CXBQSCDUWPIAKM-ZBFHGGJFSA-N 2 0 334.464 1.158 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741345 448943800 /nfs/dbraw/zinc/94/38/00/448943800.db2.gz XBUUUOSSOZYPSV-IAGOWNOFSA-N 2 0 339.528 1.027 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000582071458 449005115 /nfs/dbraw/zinc/00/51/15/449005115.db2.gz STLCQWIJLCDMLE-UHFFFAOYSA-N 2 0 332.492 1.158 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000521986777 449035959 /nfs/dbraw/zinc/03/59/59/449035959.db2.gz WBYYONTXTJSYGL-OAGGEKHMSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCC[N@H+](C)Cc2ccccc2)C[C@@H](C)O1 ZINC000582176205 449029355 /nfs/dbraw/zinc/02/93/55/449029355.db2.gz HWXUYGYNVBBXDD-GGPKGHCWSA-N 2 0 349.519 1.568 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000589209114 448989373 /nfs/dbraw/zinc/98/93/73/448989373.db2.gz LBXWBHGLAGTYIK-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP Cc1cc(OCC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)c(C)c(C)[nH+]1 ZINC000582370615 449078987 /nfs/dbraw/zinc/07/89/87/449078987.db2.gz VHCVRHRAZGOUBN-QGZVFWFLSA-N 2 0 349.475 1.859 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000521999066 449038632 /nfs/dbraw/zinc/03/86/32/449038632.db2.gz IAGPXENRMSYQCO-WMLDXEAASA-N 2 0 346.479 1.106 20 0 EDADRP O=C(Nc1cnc2n1CCCC2)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569558305 449042832 /nfs/dbraw/zinc/04/28/32/449042832.db2.gz MNJJLJRTZOVZCD-IBGZPJMESA-N 2 0 340.427 1.795 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000548440702 449044636 /nfs/dbraw/zinc/04/46/36/449044636.db2.gz WKPOKXGEQVYWNS-MRXNPFEDSA-N 2 0 333.480 1.050 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000569578061 449048225 /nfs/dbraw/zinc/04/82/25/449048225.db2.gz GZSCRUKNFPJQOA-OIISXLGYSA-N 2 0 332.448 1.019 20 0 EDADRP CNC(=O)c1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530239679 449090546 /nfs/dbraw/zinc/09/05/46/449090546.db2.gz GYHHOTLZQONGOZ-SFHVURJKSA-N 2 0 331.460 1.637 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C2)CC1 ZINC000593906774 449277495 /nfs/dbraw/zinc/27/74/95/449277495.db2.gz VBPXJAVMRLYKSD-FGTMMUONSA-N 2 0 334.508 1.144 20 0 EDADRP Cn1nc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000602278057 449485001 /nfs/dbraw/zinc/48/50/01/449485001.db2.gz QTQZRAAMUNEMAY-HNNXBMFYSA-N 2 0 327.476 1.831 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606685247 449504647 /nfs/dbraw/zinc/50/46/47/449504647.db2.gz FIQKSCMUNKEMEE-GOEBONIOSA-N 2 0 326.485 1.127 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000606700654 449511647 /nfs/dbraw/zinc/51/16/47/449511647.db2.gz OBLBKGYBSDLWHP-NVXWUHKLSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000606704104 449513088 /nfs/dbraw/zinc/51/30/88/449513088.db2.gz OYQYAGHWFCJASL-MRXNPFEDSA-N 2 0 338.496 1.223 20 0 EDADRP Cc1nc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000612266329 449619633 /nfs/dbraw/zinc/61/96/33/449619633.db2.gz KTLJZMBRATWGHM-UHFFFAOYSA-N 2 0 341.525 1.867 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)CC1 ZINC000608013259 449723560 /nfs/dbraw/zinc/72/35/60/449723560.db2.gz YJNDVRNMWLLALJ-LJQANCHMSA-N 2 0 344.503 1.433 20 0 EDADRP CC[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[NH+](CC)CC ZINC000617700340 449745013 /nfs/dbraw/zinc/74/50/13/449745013.db2.gz CGLGBSHLEGWYPY-RBUKOAKNSA-N 2 0 347.503 1.990 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000617767270 449831856 /nfs/dbraw/zinc/83/18/56/449831856.db2.gz MZWLICYXVPHESQ-LJQANCHMSA-N 2 0 346.519 1.651 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC2CC[NH+](CCO)CC2)[NH+](C)C)cc1 ZINC000601283463 449796378 /nfs/dbraw/zinc/79/63/78/449796378.db2.gz BLWMCXPMQGIXQL-GOSISDBHSA-N 2 0 348.491 1.354 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCOC3CCOCC3)C2)CC1 ZINC000599305352 449877394 /nfs/dbraw/zinc/87/73/94/449877394.db2.gz XAKAPEGZEVHHJX-QGZVFWFLSA-N 2 0 325.497 1.282 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000599310018 449881451 /nfs/dbraw/zinc/88/14/51/449881451.db2.gz CLGSYMBTJUGHJM-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595312056 450025716 /nfs/dbraw/zinc/02/57/16/450025716.db2.gz KWNBTMXPGQJTEU-BSDSXHPESA-N 2 0 334.508 1.146 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)C2)CC1 ZINC000615273470 450037933 /nfs/dbraw/zinc/03/79/33/450037933.db2.gz SJZNDINIKUGLDW-LJQANCHMSA-N 2 0 344.503 1.385 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000618190202 450045339 /nfs/dbraw/zinc/04/53/39/450045339.db2.gz KTXIRLIRGHKUGE-LJQANCHMSA-N 2 0 329.488 1.961 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCc3nnn(C(C)(C)C)n3)C2)CC1 ZINC000595332342 450046361 /nfs/dbraw/zinc/04/63/61/450046361.db2.gz FKWWXPCFQHQZIV-MRXNPFEDSA-N 2 0 349.527 1.071 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000618193331 450047890 /nfs/dbraw/zinc/04/78/90/450047890.db2.gz SABGIQCAJODSNF-UHFFFAOYSA-N 2 0 330.476 1.068 20 0 EDADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000618307847 450131941 /nfs/dbraw/zinc/13/19/41/450131941.db2.gz WMHFNBQFSMOAMU-KRWDZBQOSA-N 2 0 348.491 1.158 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(Br)cn2)CC1 ZINC000603723725 450344011 /nfs/dbraw/zinc/34/40/11/450344011.db2.gz LDWFAMIYCJKMGH-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP Cn1cc(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)nn1 ZINC000625425008 450353102 /nfs/dbraw/zinc/35/31/02/450353102.db2.gz ZLWHQGGXAWZKAU-IBGZPJMESA-N 2 0 325.460 1.956 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@H]1COCCN1C ZINC000623455081 450524127 /nfs/dbraw/zinc/52/41/27/450524127.db2.gz APVVSZAWAIENKA-SFHVURJKSA-N 2 0 348.491 1.657 20 0 EDADRP CN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000623467712 450526545 /nfs/dbraw/zinc/52/65/45/450526545.db2.gz UQJZSROSFULQIV-ZDUSSCGKSA-N 2 0 345.534 1.831 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623716729 450571079 /nfs/dbraw/zinc/57/10/79/450571079.db2.gz XKOHSWIWDPWKLD-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000623621261 450553648 /nfs/dbraw/zinc/55/36/48/450553648.db2.gz UGSRCLUPHMNLCF-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP CC1CC[NH+](CC(=O)N2CC3(CCCC3)OC[C@H]2C[NH+](C)C)CC1 ZINC000620909342 450559851 /nfs/dbraw/zinc/55/98/51/450559851.db2.gz HEXWTEDPPBKZPK-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1csc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC000623999765 450665586 /nfs/dbraw/zinc/66/55/86/450665586.db2.gz BSBDUZHJHIPUGQ-HNNXBMFYSA-N 2 0 338.521 1.899 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633098152 450682401 /nfs/dbraw/zinc/68/24/01/450682401.db2.gz WGKKELKCFYPZPI-MRXNPFEDSA-N 2 0 340.512 1.297 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000635148921 450695015 /nfs/dbraw/zinc/69/50/15/450695015.db2.gz KSMOHRARPRPDRL-GOSISDBHSA-N 2 0 334.508 1.243 20 0 EDADRP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000629519467 450724161 /nfs/dbraw/zinc/72/41/61/450724161.db2.gz AHFXYEYYVUGHGW-GFCCVEGCSA-N 2 0 327.450 1.217 20 0 EDADRP [NH3+]C1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCOCC1 ZINC000629521679 450725301 /nfs/dbraw/zinc/72/53/01/450725301.db2.gz RAUBYXPVDJYXHM-UHFFFAOYSA-N 2 0 329.444 1.917 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635183925 450726732 /nfs/dbraw/zinc/72/67/32/450726732.db2.gz VWUVQQPMQGXSNS-UHFFFAOYSA-N 2 0 343.512 1.397 20 0 EDADRP O[C@H](CNCCC[NH+]1CCN(c2ccccc2)CC1)C[NH+]1CCCC1 ZINC000629555169 450733060 /nfs/dbraw/zinc/73/30/60/450733060.db2.gz YHVWTGJVFQVPMA-HXUWFJFHSA-N 2 0 346.519 1.245 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CNCC2([NH3+])CCOCC2)CC1 ZINC000629653502 450772274 /nfs/dbraw/zinc/77/22/74/450772274.db2.gz IJZGDGYLYACZIX-UHFFFAOYSA-N 2 0 346.519 1.816 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000629568753 450740342 /nfs/dbraw/zinc/74/03/42/450740342.db2.gz WKBPFCFMXYKSKO-UONOGXRCSA-N 2 0 325.428 1.559 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)c1ccsc1 ZINC000635239469 450775080 /nfs/dbraw/zinc/77/50/80/450775080.db2.gz GMUWQUIFWPLQJR-OAHLLOKOSA-N 2 0 339.505 1.825 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631787428 450777130 /nfs/dbraw/zinc/77/71/30/450777130.db2.gz DAPUPZOMSZLIBE-RDJZCZTQSA-N 2 0 339.505 1.693 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000624382547 450822677 /nfs/dbraw/zinc/82/26/77/450822677.db2.gz GFYNOURDPDSMPS-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000635266598 450794687 /nfs/dbraw/zinc/79/46/87/450794687.db2.gz PKRZVCFYNDBEOG-HRCADAONSA-N 2 0 333.476 1.862 20 0 EDADRP COc1cccc(CC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000631835881 450805516 /nfs/dbraw/zinc/80/55/16/450805516.db2.gz GXBMKLNZICQRPB-UHFFFAOYSA-N 2 0 345.487 1.772 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(F)c[nH]c1=O ZINC000621821636 450878566 /nfs/dbraw/zinc/87/85/66/450878566.db2.gz ZPPWVEWLDOXFTJ-CQSZACIVSA-N 2 0 338.427 1.414 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940580 450898188 /nfs/dbraw/zinc/89/81/88/450898188.db2.gz ANDRNQBXZOVOGG-HOTGVXAUSA-N 2 0 329.510 1.124 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC1 ZINC000624610479 450919679 /nfs/dbraw/zinc/91/96/79/450919679.db2.gz SXJLBPPGFFJIBR-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CCN(CC[NH3+])C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000626974070 451044408 /nfs/dbraw/zinc/04/44/08/451044408.db2.gz CQJITMCJEANCKG-UHFFFAOYSA-N 2 0 334.464 1.651 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000626922368 451006736 /nfs/dbraw/zinc/00/67/36/451006736.db2.gz VEOQTYTWWBTYRR-QGZVFWFLSA-N 2 0 348.491 1.877 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCOCC1 ZINC000626924542 451007722 /nfs/dbraw/zinc/00/77/22/451007722.db2.gz APMRTKKEZYBRRG-UHFFFAOYSA-N 2 0 346.475 1.590 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000622056788 451014028 /nfs/dbraw/zinc/01/40/28/451014028.db2.gz BARWPSWANOMKLH-QGZVFWFLSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000626931500 451014717 /nfs/dbraw/zinc/01/47/17/451014717.db2.gz GXTYUNMYUICYJY-DLBZAZTESA-N 2 0 334.464 1.567 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939585 451020594 /nfs/dbraw/zinc/02/05/94/451020594.db2.gz JUZJHBOUVZASPE-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000622132994 451058667 /nfs/dbraw/zinc/05/86/67/451058667.db2.gz NAEKWIFRVIJKOY-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626997732 451063186 /nfs/dbraw/zinc/06/31/86/451063186.db2.gz CAUSOTYKQOUWAA-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000627033825 451093001 /nfs/dbraw/zinc/09/30/01/451093001.db2.gz VTHRHGSTICBIPT-GDBMZVCRSA-N 2 0 334.464 1.485 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccc2ccccc2c1 ZINC000627082810 451115536 /nfs/dbraw/zinc/11/55/36/451115536.db2.gz MDADXBIYXLGMGT-QZTJIDSGSA-N 2 0 342.443 1.205 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C2CC2)nn1 ZINC000625025063 451117373 /nfs/dbraw/zinc/11/73/73/451117373.db2.gz KSXNCZXKDBURFL-HNNXBMFYSA-N 2 0 334.468 1.101 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CC[C@@H]1C(F)(F)F ZINC000627110544 451128241 /nfs/dbraw/zinc/12/82/41/451128241.db2.gz CGLGEPUBSKIQQY-STQMWFEESA-N 2 0 336.402 1.545 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)NCC3([NH3+])CCOCC3)CC2)CC1 ZINC000627153404 451150390 /nfs/dbraw/zinc/15/03/90/451150390.db2.gz WNTDACHGFQDJQN-UHFFFAOYSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@@H]1CN(C(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000625139814 451184463 /nfs/dbraw/zinc/18/44/63/451184463.db2.gz XPXKBHPODHRGFK-GASCZTMLSA-N 2 0 326.485 1.173 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cnc2ccccc2n1)C(=O)NCC[NH+](C)C ZINC000628231054 451189197 /nfs/dbraw/zinc/18/91/97/451189197.db2.gz CKVILFFAXWAWBH-SFHVURJKSA-N 2 0 343.475 1.812 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2cnc(C[NH3+])nc2)[NH+]2CCCC2)cc1 ZINC000638083668 451247301 /nfs/dbraw/zinc/24/73/01/451247301.db2.gz BFMHEDLISWMJPF-KRWDZBQOSA-N 2 0 339.443 1.811 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@]2(C[NH3+])CCCOC2)C1 ZINC000638085385 451249386 /nfs/dbraw/zinc/24/93/86/451249386.db2.gz KKCXCSNLUIOIIZ-LMMKCTJWSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000638090228 451255425 /nfs/dbraw/zinc/25/54/25/451255425.db2.gz CTMGJMPHHFPVDM-RLFYNMQTSA-N 2 0 333.476 1.766 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)[NH+]2CCCC2)o1 ZINC000638095177 451259606 /nfs/dbraw/zinc/25/96/06/451259606.db2.gz ARUKIBRZIKOHFC-QAPCUYQASA-N 2 0 335.448 1.597 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@]2(C[NH3+])CCCOC2)cc1 ZINC000638109011 451276673 /nfs/dbraw/zinc/27/66/73/451276673.db2.gz QSMMCSOUNVCYHE-GOSISDBHSA-N 2 0 335.448 1.711 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638125692 451295015 /nfs/dbraw/zinc/29/50/15/451295015.db2.gz GIAPTFXOAHFYCL-RTBURBONSA-N 2 0 346.519 1.779 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000635851843 451299587 /nfs/dbraw/zinc/29/95/87/451299587.db2.gz VTOZPUCGVKJCRC-UHFFFAOYSA-N 2 0 347.503 1.765 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137411 451309804 /nfs/dbraw/zinc/30/98/04/451309804.db2.gz KCHSMCXHZRBHGY-KGLIPLIRSA-N 2 0 336.455 1.753 20 0 EDADRP [NH3+][C@H]1CCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000638138580 451312769 /nfs/dbraw/zinc/31/27/69/451312769.db2.gz IBXVWDSMFUXGIP-SCTDSRPQSA-N 2 0 329.444 1.085 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638139276 451315300 /nfs/dbraw/zinc/31/53/00/451315300.db2.gz LHIHATYYYXGDOP-DOTOQJQBSA-N 2 0 328.460 1.361 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000638234034 451372937 /nfs/dbraw/zinc/37/29/37/451372937.db2.gz KGLICORZCCNAGA-IEBWSBKVSA-N 2 0 330.476 1.048 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630750013 451382463 /nfs/dbraw/zinc/38/24/63/451382463.db2.gz MGVBBKPQZLLGIQ-IRXDYDNUSA-N 2 0 349.523 1.933 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638261327 451385397 /nfs/dbraw/zinc/38/53/97/451385397.db2.gz DVZWHPWPBZQDPU-WMZOPIPTSA-N 2 0 327.472 1.723 20 0 EDADRP O=C(CN1CC[NH2+]CC1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000638278224 451396507 /nfs/dbraw/zinc/39/65/07/451396507.db2.gz YRMLLQPGFAUDOD-UHFFFAOYSA-N 2 0 344.503 1.059 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cn1 ZINC000630783759 451401512 /nfs/dbraw/zinc/40/15/12/451401512.db2.gz OLCZCXWIZXJZFH-QGZVFWFLSA-N 2 0 347.438 1.617 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000632591777 451430838 /nfs/dbraw/zinc/43/08/38/451430838.db2.gz HJABORXMNGMMRK-QGZVFWFLSA-N 2 0 343.537 1.799 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@@]2(COC)CCCC[NH2+]2)CCN1CCOC ZINC000638376473 451472354 /nfs/dbraw/zinc/47/23/54/451472354.db2.gz AWFLWVDNWDXBMH-WMZOPIPTSA-N 2 0 341.496 1.104 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000638383679 451477139 /nfs/dbraw/zinc/47/71/39/451477139.db2.gz JAGUYJKXXVBMOW-IDCNUPLLSA-N 2 0 347.459 1.440 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638384964 451477863 /nfs/dbraw/zinc/47/78/63/451477863.db2.gz GWAGDLJEUYNPOF-IBGZPJMESA-N 2 0 340.471 1.482 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638386696 451479478 /nfs/dbraw/zinc/47/94/78/451479478.db2.gz SSAPTBBLNHJAFA-HNAYVOBHSA-N 2 0 341.455 1.955 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@H]([NH3+])c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000638391007 451482013 /nfs/dbraw/zinc/48/20/13/451482013.db2.gz PCXYMMWQNIXNNP-MRVWCRGKSA-N 2 0 345.365 1.527 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638395284 451484249 /nfs/dbraw/zinc/48/42/49/451484249.db2.gz AXWVNXFNJFYTPA-TZMCWYRMSA-N 2 0 345.447 1.255 20 0 EDADRP Cc1c(C[NH3+])c(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1C ZINC000638401362 451489076 /nfs/dbraw/zinc/48/90/76/451489076.db2.gz CFSVVQLWTXJACS-HNNXBMFYSA-N 2 0 327.432 1.648 20 0 EDADRP CN(Cc1c[nH]cn1)C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638404099 451492989 /nfs/dbraw/zinc/49/29/89/451492989.db2.gz ZHXNJYHYBNTZEO-UHFFFAOYSA-N 3 0 341.459 1.752 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000636026578 451447183 /nfs/dbraw/zinc/44/71/83/451447183.db2.gz PFFKAHCAXPELGA-KBAYOESNSA-N 2 0 333.476 1.590 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000638407562 451496092 /nfs/dbraw/zinc/49/60/92/451496092.db2.gz BICLMGKTWNFXMY-PKOBYXMFSA-N 2 0 346.475 1.177 20 0 EDADRP CO[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCOC1 ZINC000638463403 451528842 /nfs/dbraw/zinc/52/88/42/451528842.db2.gz UNFJWDVECFDSOG-PKOBYXMFSA-N 2 0 348.491 1.235 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000636144170 451546206 /nfs/dbraw/zinc/54/62/06/451546206.db2.gz YPKZSAYLAKXYNJ-IAGOWNOFSA-N 2 0 341.496 1.104 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCc2nnc3n2CCCCC3)CC1 ZINC000638511116 451552225 /nfs/dbraw/zinc/55/22/25/451552225.db2.gz NHCGUVSKKMFTFO-UHFFFAOYSA-N 2 0 349.523 1.762 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526122 451558195 /nfs/dbraw/zinc/55/81/95/451558195.db2.gz DXLJXDSAIMEGTF-MRXNPFEDSA-N 2 0 334.464 1.680 20 0 EDADRP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631069784 451567337 /nfs/dbraw/zinc/56/73/37/451567337.db2.gz XMPPMZWAJFYEOG-LJQANCHMSA-N 2 0 347.503 1.829 20 0 EDADRP COCCc1ncc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000631113237 451590851 /nfs/dbraw/zinc/59/08/51/451590851.db2.gz FFAMFZPOBPGPMX-UHFFFAOYSA-N 2 0 340.537 1.838 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000638616650 451610632 /nfs/dbraw/zinc/61/06/32/451610632.db2.gz SOLQNUBDEXMISP-LPHOPBHVSA-N 2 0 345.487 1.434 20 0 EDADRP [NH3+]CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638634339 451622993 /nfs/dbraw/zinc/62/29/93/451622993.db2.gz ORZBNWSRBOGDDU-MRXNPFEDSA-N 2 0 349.450 1.662 20 0 EDADRP Cc1nnsc1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000638718109 451664969 /nfs/dbraw/zinc/66/49/69/451664969.db2.gz DGHQNHZVASIIGG-UHFFFAOYSA-N 2 0 339.509 1.563 20 0 EDADRP c1csc([C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2nc[nH]n2)c1 ZINC000635007918 451647753 /nfs/dbraw/zinc/64/77/53/451647753.db2.gz BRWCJBYJQFYNNS-OAHLLOKOSA-N 2 0 341.444 1.872 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000632950283 451665502 /nfs/dbraw/zinc/66/55/02/451665502.db2.gz XQNQRBHWIQCYJO-MRXNPFEDSA-N 2 0 344.463 1.526 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)CC(C)(C)C ZINC000636279383 451647840 /nfs/dbraw/zinc/64/78/40/451647840.db2.gz NQXKMTXMSVOMEA-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635013560 451648705 /nfs/dbraw/zinc/64/87/05/451648705.db2.gz ZJYSIBYFPDLCBS-CRAIPNDOSA-N 3 0 325.460 1.862 20 0 EDADRP CC[NH+]1CCC(NC(=O)Cn2cc(-c3ccc(C[NH3+])cc3)nn2)CC1 ZINC000640865715 451650172 /nfs/dbraw/zinc/65/01/72/451650172.db2.gz DAHVMUFFVLZPFO-UHFFFAOYSA-N 2 0 342.447 1.004 20 0 EDADRP C[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000638799812 451695177 /nfs/dbraw/zinc/69/51/77/451695177.db2.gz QNVZGGFPWFAYFU-XIRDDKMYSA-N 2 0 335.517 1.759 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800535 451695225 /nfs/dbraw/zinc/69/52/25/451695225.db2.gz NBIYNNSEYVPSGZ-LNLFQRSKSA-N 2 0 331.460 1.392 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)C(=O)NCC[NH+](C)C ZINC000638818779 451700445 /nfs/dbraw/zinc/70/04/45/451700445.db2.gz SZPYHKCNMFQJAF-PMPSAXMXSA-N 2 0 340.512 1.116 20 0 EDADRP O=C1C[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CCCN1 ZINC000638830570 451703768 /nfs/dbraw/zinc/70/37/68/451703768.db2.gz FCTRISXKHHEGDZ-SFHVURJKSA-N 2 0 345.487 1.962 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638849720 451709572 /nfs/dbraw/zinc/70/95/72/451709572.db2.gz DZWOMWKJFNPJBX-SZVBFZGTSA-N 2 0 331.460 1.249 20 0 EDADRP [NH3+][C@H](CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)Cc1ccccc1 ZINC000638876457 451716438 /nfs/dbraw/zinc/71/64/38/451716438.db2.gz HTCCIJQRDUNPTM-LSDHHAIUSA-N 2 0 327.432 1.177 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000638729552 451668487 /nfs/dbraw/zinc/66/84/87/451668487.db2.gz QWOJWRIODMOOFG-HZPDHXFCSA-N 2 0 325.497 1.709 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000631267646 451671109 /nfs/dbraw/zinc/67/11/09/451671109.db2.gz KMDRMHNUSPHOKM-DLBZAZTESA-N 3 0 326.529 1.449 20 0 EDADRP CC(C)(C)[C@@H]([NH3+])c1cn(CC(=O)NC2CC[NH+](C3CC3)CC2)nn1 ZINC000641003546 451726759 /nfs/dbraw/zinc/72/67/59/451726759.db2.gz MLBHTVCKCJEXAD-INIZCTEOSA-N 2 0 334.468 1.067 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151133 451741524 /nfs/dbraw/zinc/74/15/24/451741524.db2.gz XPJDZCIHTUPMPA-RYQLBKOJSA-N 2 0 346.475 1.015 20 0 EDADRP COc1ccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nc1 ZINC000638986262 451747496 /nfs/dbraw/zinc/74/74/96/451747496.db2.gz YSAPLMQWLMOZQS-UHFFFAOYSA-N 2 0 327.388 1.076 20 0 EDADRP CCC(=O)N1CCC[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000638988440 451748221 /nfs/dbraw/zinc/74/82/21/451748221.db2.gz YISNUCHAVNLVOM-CQSZACIVSA-N 2 0 345.447 1.078 20 0 EDADRP CO[C@]1(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCOC1 ZINC000639044196 451756680 /nfs/dbraw/zinc/75/66/80/451756680.db2.gz GSGZEBZXCZDHHE-SFHVURJKSA-N 2 0 325.497 1.141 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1 ZINC000639209287 451792370 /nfs/dbraw/zinc/79/23/70/451792370.db2.gz AIZLTSVCPXDJNK-UHFFFAOYSA-N 2 0 325.478 1.690 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997308 451803708 /nfs/dbraw/zinc/80/37/08/451803708.db2.gz FERLLYMBTFMTBB-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000644539341 451851162 /nfs/dbraw/zinc/85/11/62/451851162.db2.gz CBAWUHZLNBQQBX-ZWKOTPCHSA-N 2 0 333.476 1.157 20 0 EDADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562550 451862834 /nfs/dbraw/zinc/86/28/34/451862834.db2.gz YZFIQWXAYPTBAI-SFHVURJKSA-N 2 0 349.519 1.659 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)COc1ccccc1F)CN1CC[NH+](C)CC1 ZINC000644563002 451865053 /nfs/dbraw/zinc/86/50/53/451865053.db2.gz LODAEICZAUSLJH-HZPDHXFCSA-N 2 0 339.455 1.039 20 0 EDADRP C[C@@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000649131919 451866121 /nfs/dbraw/zinc/86/61/21/451866121.db2.gz GIBGLHISVGDWPW-KRWDZBQOSA-N 2 0 345.487 1.830 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CC[NH+]1CCCCC1)C(C)C ZINC000653353328 451866713 /nfs/dbraw/zinc/86/67/13/451866713.db2.gz ZYGQTIWVQDSMKR-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645413 451906726 /nfs/dbraw/zinc/90/67/26/451906726.db2.gz JZZROJODAJJALO-CVEARBPZSA-N 2 0 338.496 1.016 20 0 EDADRP CO[C@H](Cc1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000649245262 451927771 /nfs/dbraw/zinc/92/77/71/451927771.db2.gz OMQHCCQZEKCBBG-HXUWFJFHSA-N 2 0 331.504 1.958 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000653415339 451927947 /nfs/dbraw/zinc/92/79/47/451927947.db2.gz WIBAJLSWIXJMIO-INIZCTEOSA-N 2 0 342.447 1.753 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N(C)CCN1CC[NH2+]CC1)c1ccccc1 ZINC000649271654 451944511 /nfs/dbraw/zinc/94/45/11/451944511.db2.gz QMXDWMQWMXVALM-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)[C@@H]2C1 ZINC000646928322 451944870 /nfs/dbraw/zinc/94/48/70/451944870.db2.gz XKUFHCQGBJHWHH-RBUKOAKNSA-N 2 0 342.487 1.210 20 0 EDADRP COc1ccc([C@H](CNC(=O)COC2(C)C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000649277244 451947406 /nfs/dbraw/zinc/94/74/06/451947406.db2.gz PLHAVEKILKFALJ-KRWDZBQOSA-N 2 0 347.459 1.327 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649293762 451969956 /nfs/dbraw/zinc/96/99/56/451969956.db2.gz IJHSEKJTUBBWGJ-QZTJIDSGSA-N 2 0 331.460 1.566 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@]2(N)CC[N@@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000649310088 451988356 /nfs/dbraw/zinc/98/83/56/451988356.db2.gz OXVWPSHGTNHNSL-HKUYNNGSSA-N 2 0 330.476 1.281 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649318844 451997890 /nfs/dbraw/zinc/99/78/90/451997890.db2.gz ORKHOWUGICBSQF-MRXNPFEDSA-N 2 0 339.867 1.957 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000649321581 451999343 /nfs/dbraw/zinc/99/93/43/451999343.db2.gz CRWCBCGJFUKHPQ-FUHWJXTLSA-N 2 0 333.476 1.661 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649336619 452018297 /nfs/dbraw/zinc/01/82/97/452018297.db2.gz JFEQQWFFBKGZSX-JFIYKMOQSA-N 2 0 345.487 1.495 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000653566580 452018734 /nfs/dbraw/zinc/01/87/34/452018734.db2.gz ZMCXFSPCYHEUBU-MOPGFXCFSA-N 2 0 335.492 1.132 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649343642 452024207 /nfs/dbraw/zinc/02/42/07/452024207.db2.gz MGJJOPPSYMTNSL-IEZWGBDMSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)c2ccccc2O1 ZINC000649347258 452030754 /nfs/dbraw/zinc/03/07/54/452030754.db2.gz MTYXXSPYUNEGAW-STQMWFEESA-N 2 0 339.386 1.587 20 0 EDADRP Cc1ccc(N2CCC(C(=O)N3CCNC[C@](C)(F)C3)CC2)nc1 ZINC000647065030 452038349 /nfs/dbraw/zinc/03/83/49/452038349.db2.gz LMXVSJPFBCUFJW-SFHVURJKSA-N 2 0 334.439 1.766 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649378552 452051602 /nfs/dbraw/zinc/05/16/02/452051602.db2.gz IVDZSPTXAQEDSU-SJLPKXTDSA-N 2 0 337.508 1.726 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cc1 ZINC000649412336 452075373 /nfs/dbraw/zinc/07/53/73/452075373.db2.gz BCVURIPEJIYFPF-BHIYHBOVSA-N 2 0 333.476 1.269 20 0 EDADRP O=C(CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649414914 452078111 /nfs/dbraw/zinc/07/81/11/452078111.db2.gz AAHXEZIZBOSYRF-CRAIPNDOSA-N 2 0 334.508 1.193 20 0 EDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420764 452082764 /nfs/dbraw/zinc/08/27/64/452082764.db2.gz RKOQQGGZZDXAHY-COXVUDFISA-N 2 0 329.448 1.363 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)cn1 ZINC000639758626 452095766 /nfs/dbraw/zinc/09/57/66/452095766.db2.gz WSWJAMSJDIAGPM-INIZCTEOSA-N 2 0 331.464 1.333 20 0 EDADRP COc1ncncc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000647177312 452107379 /nfs/dbraw/zinc/10/73/79/452107379.db2.gz UUXOJIUQZPLJER-UHFFFAOYSA-N 2 0 342.447 1.182 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000637836212 452108309 /nfs/dbraw/zinc/10/83/09/452108309.db2.gz WNAZGGJYQFLZDV-SFHVURJKSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C[C@H](C)[NH2+]1 ZINC000637839322 452110269 /nfs/dbraw/zinc/11/02/69/452110269.db2.gz JDQDWLLAYIVXPE-IRXDYDNUSA-N 2 0 344.503 1.579 20 0 EDADRP C[C@H]1CN(C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000649661429 452186393 /nfs/dbraw/zinc/18/63/93/452186393.db2.gz CERPDKLZDHMZEV-PXNSSMCTSA-N 2 0 331.504 1.895 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)N[C@@H]1CC[N@@H+]3CCCC[C@@H]13)CCO2 ZINC000645183035 452199410 /nfs/dbraw/zinc/19/94/10/452199410.db2.gz UYTPLAKTURNVBK-CVEARBPZSA-N 2 0 336.480 1.119 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+]3CCCC[C@H]13)CCO2 ZINC000645183038 452199733 /nfs/dbraw/zinc/19/97/33/452199733.db2.gz UYTPLAKTURNVBK-JKSUJKDBSA-N 2 0 336.480 1.119 20 0 EDADRP C[C@@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1[C@H](C)CO ZINC000661446324 452248548 /nfs/dbraw/zinc/24/85/48/452248548.db2.gz SHAJDSQJGUXUAF-DQCOHUIHSA-N 2 0 342.524 1.313 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659434802 452281851 /nfs/dbraw/zinc/28/18/51/452281851.db2.gz BWBGUJJBLXMWIA-RMXPPQQLSA-N 2 0 328.460 1.956 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000659436144 452283789 /nfs/dbraw/zinc/28/37/89/452283789.db2.gz PVAHYHXZLBLWRM-INIZCTEOSA-N 2 0 333.480 1.106 20 0 EDADRP C[C@H](CC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655487877 452284212 /nfs/dbraw/zinc/28/42/12/452284212.db2.gz OOCCLJRUGSWLMO-FPCVCCKLSA-N 2 0 325.497 1.626 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCCC[C@H]2CC(F)(F)F)CC1 ZINC000649837395 452297130 /nfs/dbraw/zinc/29/71/30/452297130.db2.gz HJGDGNOSKAJUKM-KKUMJFAQSA-N 2 0 337.430 1.696 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000659456979 452307595 /nfs/dbraw/zinc/30/75/95/452307595.db2.gz VELKPRBCPUPGOC-FPCVCCKLSA-N 2 0 344.475 1.204 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659465452 452321599 /nfs/dbraw/zinc/32/15/99/452321599.db2.gz KYANMZQUTXTNPH-FTSJTYPLSA-N 2 0 342.487 1.948 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000638051252 452324670 /nfs/dbraw/zinc/32/46/70/452324670.db2.gz ZJRLTPKWVPFBSP-IEBWSBKVSA-N 2 0 341.455 1.984 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665757808 452324939 /nfs/dbraw/zinc/32/49/39/452324939.db2.gz XBXAEYVAEBWXSG-INIZCTEOSA-N 2 0 341.544 1.430 20 0 EDADRP [NH3+]C/C=C/CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000641864902 452330418 /nfs/dbraw/zinc/33/04/18/452330418.db2.gz LAMCEVBZDDCURY-SNAWJCMRSA-N 2 0 330.476 1.851 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000638052815 452330708 /nfs/dbraw/zinc/33/07/08/452330708.db2.gz BEVLLSYITMTSMM-IEBWSBKVSA-N 2 0 331.460 1.666 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)C[NH2+]CCO1 ZINC000638053242 452331026 /nfs/dbraw/zinc/33/10/26/452331026.db2.gz IOYVPIPZPSAKGJ-LJQANCHMSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnnn1-c1ccccc1 ZINC000657572577 452339781 /nfs/dbraw/zinc/33/97/81/452339781.db2.gz BQBDVIQLUIFXMS-INIZCTEOSA-N 2 0 330.480 1.629 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)c1cccc(OC)c1 ZINC000638058735 452347801 /nfs/dbraw/zinc/34/78/01/452347801.db2.gz SAYTZHOOEBCOJE-PKOBYXMFSA-N 2 0 349.475 1.573 20 0 EDADRP [NH3+][C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000659526624 452391074 /nfs/dbraw/zinc/39/10/74/452391074.db2.gz DHPFQOPATDNJDK-UHOFOFEASA-N 2 0 338.402 1.447 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659552215 452409908 /nfs/dbraw/zinc/40/99/08/452409908.db2.gz PBWLJJMZOOGXPZ-RCCFBDPRSA-N 2 0 330.476 1.964 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659557565 452413516 /nfs/dbraw/zinc/41/35/16/452413516.db2.gz SACBEBUNWPSECJ-BRSBDYLESA-N 2 0 334.508 1.796 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@@H]1C ZINC000659567221 452421821 /nfs/dbraw/zinc/42/18/21/452421821.db2.gz SJDKWEHWNRQQOB-HZPDHXFCSA-N 2 0 345.491 1.685 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659567504 452424346 /nfs/dbraw/zinc/42/43/46/452424346.db2.gz WMQKGBYJANCFMT-HDICACEKSA-N 2 0 343.475 1.154 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCCN(Cc3cscn3)CC2)CCCC1 ZINC000659572556 452428323 /nfs/dbraw/zinc/42/83/23/452428323.db2.gz XONNRURGRVRONS-UHFFFAOYSA-N 2 0 337.493 1.632 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000659576757 452431637 /nfs/dbraw/zinc/43/16/37/452431637.db2.gz KVBYOVJYXZMNEG-XMTFNYHQSA-N 2 0 328.460 1.668 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000659582010 452436559 /nfs/dbraw/zinc/43/65/59/452436559.db2.gz ZMDUEMFZWZLPLF-NORZTCDRSA-N 2 0 338.402 1.414 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659580988 452437217 /nfs/dbraw/zinc/43/72/17/452437217.db2.gz HHMGMSKSABNPSH-SPUZQDLCSA-N 2 0 346.450 1.665 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)C[NH3+])cc1F ZINC000659599308 452456031 /nfs/dbraw/zinc/45/60/31/452456031.db2.gz YGRGLECDWXQUMH-JSGCOSHPSA-N 2 0 338.427 1.316 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC3CC[NH+]([C@H]4CCOC4)CC3)C[C@@H]21 ZINC000659608313 452463721 /nfs/dbraw/zinc/46/37/21/452463721.db2.gz MQHXTPBMRRWYOI-BSWAZPDLSA-N 2 0 336.480 1.009 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000659608506 452464508 /nfs/dbraw/zinc/46/45/08/452464508.db2.gz OLTQNEGTOGLKJC-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000659619721 452476536 /nfs/dbraw/zinc/47/65/36/452476536.db2.gz SGWHYHOEBJXQMV-OWCLPIDISA-N 2 0 326.485 1.288 20 0 EDADRP Cc1cn2cc(NC(=O)NCCN(C)CCC[NH+](C)C)ccc2n1 ZINC000665951429 452483026 /nfs/dbraw/zinc/48/30/26/452483026.db2.gz KXVAYCSUGRTMPV-UHFFFAOYSA-N 2 0 332.452 1.648 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000655680958 452506516 /nfs/dbraw/zinc/50/65/16/452506516.db2.gz QSVPRIAZUOAZDW-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@H]21 ZINC000652340428 452510233 /nfs/dbraw/zinc/51/02/33/452510233.db2.gz UHZFIJBEXUJCEV-ZTFGCOKTSA-N 2 0 349.500 1.687 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346175 452518930 /nfs/dbraw/zinc/51/89/30/452518930.db2.gz VEBGOUIURFCSJI-XGXHKWSGSA-N 2 0 345.487 1.910 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)nc2)CC1 ZINC000645552166 452519848 /nfs/dbraw/zinc/51/98/48/452519848.db2.gz MJEVTNPJUGQXGH-HNNXBMFYSA-N 2 0 329.448 1.162 20 0 EDADRP COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652346025 452520344 /nfs/dbraw/zinc/52/03/44/452520344.db2.gz RMHGNTGBLLGKMC-HDMKZQKVSA-N 2 0 347.459 1.852 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346650 452521849 /nfs/dbraw/zinc/52/18/49/452521849.db2.gz CQFQPHIFPSFBOJ-XMTFNYHQSA-N 2 0 337.508 1.996 20 0 EDADRP OC[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647793386 452524194 /nfs/dbraw/zinc/52/41/94/452524194.db2.gz WEIBLEXKSBCBHR-FCMAGTKHSA-N 2 0 343.515 1.847 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCC(=O)Nc3cccnc3)C2)C1 ZINC000652349246 452526410 /nfs/dbraw/zinc/52/64/10/452526410.db2.gz HVCDOAZCIHRLTI-BFYDXBDKSA-N 2 0 332.448 1.629 20 0 EDADRP c1cc2n(n1)CCC[C@H]2[NH2+]CCOCC[NH2+][C@@H]1CCCn2nccc21 ZINC000640220306 452526452 /nfs/dbraw/zinc/52/64/52/452526452.db2.gz LPQYFNVMXGNQCY-HZPDHXFCSA-N 2 0 344.463 1.645 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654460851 452527308 /nfs/dbraw/zinc/52/73/08/452527308.db2.gz BQMKBJLUJQBOKP-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN(C1CC1)C1CC[NH2+]CC1)c1ccccc1 ZINC000647815101 452546135 /nfs/dbraw/zinc/54/61/35/452546135.db2.gz PCGHIHOTOQXZAM-IBGZPJMESA-N 2 0 344.503 1.622 20 0 EDADRP CC(C)C[C@H](NC(=O)C[N@H+](C)C(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000647817428 452549418 /nfs/dbraw/zinc/54/94/18/452549418.db2.gz KHMQEBFUVDJUTA-HOTGVXAUSA-N 2 0 340.512 1.020 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)Cn3cncn3)cc2)CC1 ZINC000657839606 452559059 /nfs/dbraw/zinc/55/90/59/452559059.db2.gz XANDVCNISOUXOH-KRWDZBQOSA-N 2 0 342.491 1.594 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000657835185 452559774 /nfs/dbraw/zinc/55/97/74/452559774.db2.gz OKASIXSBRALHPF-PKOBYXMFSA-N 2 0 342.491 1.635 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC(C[NH+]2CCN(C)CC2)C1)[NH+]1CCCCC1 ZINC000647824910 452559982 /nfs/dbraw/zinc/55/99/82/452559982.db2.gz DNNORVWGLAMSOV-SFHVURJKSA-N 2 0 336.524 1.203 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655805267 452588479 /nfs/dbraw/zinc/58/84/79/452588479.db2.gz FDRMRENMGOINMA-KCQAQPDRSA-N 2 0 325.478 1.586 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000659709245 452599375 /nfs/dbraw/zinc/59/93/75/452599375.db2.gz HGDONXSHKYNRPS-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP O=C(C[N@H+](CCCC1CC[NH2+]CC1)C[C@@H]1CCCO1)N1CCCC1 ZINC000647889483 452631299 /nfs/dbraw/zinc/63/12/99/452631299.db2.gz VIARCMDPTFJYKK-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663940728 452661271 /nfs/dbraw/zinc/66/12/71/452661271.db2.gz CKSHZDDOVJUDFU-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916053 452676700 /nfs/dbraw/zinc/67/67/00/452676700.db2.gz ZKZUDCKADMEKSW-UTUOFQBUSA-N 2 0 338.418 1.932 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655916052 452677388 /nfs/dbraw/zinc/67/73/88/452677388.db2.gz ZKZUDCKADMEKSW-TUAOUCFPSA-N 2 0 338.418 1.932 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000658007494 452679285 /nfs/dbraw/zinc/67/92/85/452679285.db2.gz UQJCGKJFFHWPET-HNNXBMFYSA-N 2 0 329.448 1.929 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc1ccc(F)cc1 ZINC000655919177 452681306 /nfs/dbraw/zinc/68/13/06/452681306.db2.gz GCKRVSYNLWFRMT-LBPRGKRZSA-N 2 0 336.333 1.446 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685220 452687140 /nfs/dbraw/zinc/68/71/40/452687140.db2.gz WCIMFXMUCHDVDX-HIFRSBDPSA-N 2 0 340.265 1.833 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@H](C)C1 ZINC000658074031 452716384 /nfs/dbraw/zinc/71/63/84/452716384.db2.gz BSUGYEWVSNJMAM-OWSLCNJRSA-N 2 0 328.497 1.765 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977634 452723080 /nfs/dbraw/zinc/72/30/80/452723080.db2.gz FNYWVXKSJIXVSR-IAGOWNOFSA-N 2 0 340.475 1.916 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000655971261 452751735 /nfs/dbraw/zinc/75/17/35/452751735.db2.gz YHKUASHWRVXOJS-SIRPWMCASA-N 2 0 338.496 1.255 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971243 452751827 /nfs/dbraw/zinc/75/18/27/452751827.db2.gz XWMZXMOXDVENND-BPXZUEPWSA-N 2 0 338.496 1.253 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652607064 452767033 /nfs/dbraw/zinc/76/70/33/452767033.db2.gz GBQPVLPXXDAJCL-UHFFFAOYSA-N 2 0 334.399 1.364 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC3(CC[NH2+]CC3)CC2)cn1 ZINC000652612555 452770391 /nfs/dbraw/zinc/77/03/91/452770391.db2.gz VRJOOWGUWYZTDQ-UHFFFAOYSA-N 2 0 334.468 1.442 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000652617029 452774770 /nfs/dbraw/zinc/77/47/70/452774770.db2.gz NCPIYSRSQRYBKW-UHFFFAOYSA-N 2 0 345.451 1.272 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652628383 452785759 /nfs/dbraw/zinc/78/57/59/452785759.db2.gz XWEAUQCDUJQJBP-KXBFYZLASA-N 2 0 344.459 1.274 20 0 EDADRP CO[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)[C@@H]1CCOC1 ZINC000659911501 452800424 /nfs/dbraw/zinc/80/04/24/452800424.db2.gz YNOFQJDELPQKPH-FGTMMUONSA-N 2 0 325.497 1.140 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(CC(C)C)CC2)C1 ZINC000662068911 452816690 /nfs/dbraw/zinc/81/66/90/452816690.db2.gz CLWQDPPCJJDBMQ-INIZCTEOSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000648106895 452826173 /nfs/dbraw/zinc/82/61/73/452826173.db2.gz GRIVDKLLKYWWFS-OAHLLOKOSA-N 2 0 326.404 1.101 20 0 EDADRP O=C([C@H]1C[NH2+]CCC1(F)F)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648114696 452830930 /nfs/dbraw/zinc/83/09/30/452830930.db2.gz AZUFANJYZXKPGO-HUUCEWRRSA-N 2 0 338.402 1.265 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)cc1 ZINC000654732969 452854156 /nfs/dbraw/zinc/85/41/56/452854156.db2.gz KSDGLRGNRKWHAJ-LJQANCHMSA-N 2 0 347.503 1.974 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2[NH2+]CC2(C)C)c1 ZINC000645908279 452892729 /nfs/dbraw/zinc/89/27/29/452892729.db2.gz DZMDGZVZSUCFIA-QGZVFWFLSA-N 2 0 349.475 1.258 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000656152857 452907115 /nfs/dbraw/zinc/90/71/15/452907115.db2.gz KMYUBIUWKFKWTH-HYVNUMGLSA-N 2 0 335.448 1.315 20 0 EDADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000645959221 452938740 /nfs/dbraw/zinc/93/87/40/452938740.db2.gz STBVAHRGGZUNJR-JQHSSLGASA-N 2 0 333.476 1.532 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cnc(N4CCCC4)nc3)C2)C1 ZINC000650706682 452944101 /nfs/dbraw/zinc/94/41/01/452944101.db2.gz QHXCSFWSTRHOMS-KSZLIROESA-N 2 0 345.491 1.795 20 0 EDADRP C[C@H](CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+](C)C ZINC000658422801 452947612 /nfs/dbraw/zinc/94/76/12/452947612.db2.gz GQGNTOFCDGILKK-CQSZACIVSA-N 2 0 334.464 1.186 20 0 EDADRP Cn1nnc2c1CC[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000656199840 452955837 /nfs/dbraw/zinc/95/58/37/452955837.db2.gz FLWZBTSMDJMXMQ-IYJAJMOOSA-N 2 0 339.443 1.518 20 0 EDADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248486 452972759 /nfs/dbraw/zinc/97/27/59/452972759.db2.gz DCDNYMDOHAJDMB-RHSMWYFYSA-N 2 0 327.432 1.781 20 0 EDADRP O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256985 452985373 /nfs/dbraw/zinc/98/53/73/452985373.db2.gz KYBRQXPAIUHVKT-KRWDZBQOSA-N 2 0 347.434 1.997 20 0 EDADRP O=C(Nc1ccc(F)cc1)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256986 452986430 /nfs/dbraw/zinc/98/64/30/452986430.db2.gz KYBRQXPAIUHVKT-QGZVFWFLSA-N 2 0 347.434 1.997 20 0 EDADRP C[N@@H+](Cc1ccccc1N1CCOCC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662260416 452989480 /nfs/dbraw/zinc/98/94/80/452989480.db2.gz LAEKVPMWODGDCN-QGZVFWFLSA-N 2 0 331.460 1.476 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)CCCCC1 ZINC000666600220 453000168 /nfs/dbraw/zinc/00/01/68/453000168.db2.gz BELDBYUPUNOYIZ-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP CN(CC1C[NH+](C)C1)c1cc(C2CC2)nc(N(C)CC2C[NH+](C)C2)n1 ZINC000664329610 453003933 /nfs/dbraw/zinc/00/39/33/453003933.db2.gz HAZFGPGIMDUORZ-UHFFFAOYSA-N 2 0 344.507 1.350 20 0 EDADRP COCCCCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338963 453055461 /nfs/dbraw/zinc/05/54/61/453055461.db2.gz XSMOSWQBFKWHIY-INIZCTEOSA-N 2 0 335.496 1.815 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC/C=C\C[NH3+])c(C)c2)CC1 ZINC000666676691 453060872 /nfs/dbraw/zinc/06/08/72/453060872.db2.gz WFKRTFNZQZUUHK-PLNGDYQASA-N 2 0 331.464 1.773 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000666683004 453062742 /nfs/dbraw/zinc/06/27/42/453062742.db2.gz VMHJODOBFADPDA-OAHLLOKOSA-N 2 0 331.464 1.687 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)C(=O)N1CCC(n2ccnc2)CC1 ZINC000658521174 453072156 /nfs/dbraw/zinc/07/21/56/453072156.db2.gz BRVBEFPNRSFDRD-OAHLLOKOSA-N 2 0 347.463 1.036 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000646083671 453094866 /nfs/dbraw/zinc/09/48/66/453094866.db2.gz XBXUXPOMSYCFMA-ROUUACIJSA-N 2 0 337.508 1.964 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000646108897 453112930 /nfs/dbraw/zinc/11/29/30/453112930.db2.gz ZZGMYXTYMKDPIA-FUHWJXTLSA-N 2 0 338.540 1.400 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662428367 453134944 /nfs/dbraw/zinc/13/49/44/453134944.db2.gz CHWFJPMPQYETIA-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000662430975 453139045 /nfs/dbraw/zinc/13/90/45/453139045.db2.gz FWRCHMAWFRQZPO-UHFFFAOYSA-N 2 0 334.464 1.993 20 0 EDADRP C[C@@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1nccn1C ZINC000660353333 453240769 /nfs/dbraw/zinc/24/07/69/453240769.db2.gz IESBXGKTLGJVCF-CQSZACIVSA-N 2 0 342.447 1.840 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)c1 ZINC000662525519 453245653 /nfs/dbraw/zinc/24/56/53/453245653.db2.gz HQCDSGKQOUIIPV-OAHLLOKOSA-N 2 0 327.432 1.478 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000666926184 453252194 /nfs/dbraw/zinc/25/21/94/453252194.db2.gz KZXFCUWKBMIMEU-AWEZNQCLSA-N 2 0 334.468 1.756 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662544524 453271610 /nfs/dbraw/zinc/27/16/10/453271610.db2.gz CTBNJVRAKLIULI-UHFFFAOYSA-N 2 0 332.448 1.746 20 0 EDADRP Cc1nn(C)c(OCC(F)(F)F)c1C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952097 453277017 /nfs/dbraw/zinc/27/70/17/453277017.db2.gz FUQUVKSBLSVKKL-LBPRGKRZSA-N 2 0 332.370 1.901 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1n[nH]c(NC(=O)C[NH+](CC)CC)c1C ZINC000646282185 453287246 /nfs/dbraw/zinc/28/72/46/453287246.db2.gz HZSSYVNEPYDLIN-UHFFFAOYSA-N 2 0 338.456 1.279 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653105113 453288525 /nfs/dbraw/zinc/28/85/25/453288525.db2.gz GMICRPJZXZCUBG-ROUUACIJSA-N 2 0 348.491 1.227 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666975670 453294430 /nfs/dbraw/zinc/29/44/30/453294430.db2.gz VXNBMLPFIMRKCJ-MRXNPFEDSA-N 2 0 326.485 1.221 20 0 EDADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653111561 453297210 /nfs/dbraw/zinc/29/72/10/453297210.db2.gz SDXDWFOCKKXDTA-WBVHZDCISA-N 2 0 344.459 1.465 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653117912 453306692 /nfs/dbraw/zinc/30/66/92/453306692.db2.gz ZGEFXIPOSIUOFZ-KNBMTAEXSA-N 2 0 343.471 1.564 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653119195 453308940 /nfs/dbraw/zinc/30/89/40/453308940.db2.gz BCMPDGXBAARQSN-QZTJIDSGSA-N 2 0 332.492 1.246 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)[C@H](C)C1 ZINC000653120376 453311046 /nfs/dbraw/zinc/31/10/46/453311046.db2.gz PGSKTTCVHJEQEK-ZACQAIPSSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)CC[N@@H+]1C ZINC000648833516 453315079 /nfs/dbraw/zinc/31/50/79/453315079.db2.gz OSFNIDHLIYAVEL-OWYHZJEWSA-N 2 0 345.487 1.326 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000653124798 453318636 /nfs/dbraw/zinc/31/86/36/453318636.db2.gz HNTNFUPLPCUTLH-KRWDZBQOSA-N 2 0 330.476 1.762 20 0 EDADRP [NH3+][C@H](C(=O)NCC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000662614314 453333448 /nfs/dbraw/zinc/33/34/48/453333448.db2.gz PNTFMNDMMHUNOD-SFHVURJKSA-N 2 0 331.460 1.694 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000651197110 453350797 /nfs/dbraw/zinc/35/07/97/453350797.db2.gz WEHMOVZGTHRRIT-HZPDHXFCSA-N 2 0 328.501 1.061 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000656681860 453363875 /nfs/dbraw/zinc/36/38/75/453363875.db2.gz GTTSXDHAFRSERW-UHFFFAOYSA-N 2 0 327.392 1.414 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CCC([NH+]3CCCCC3)CC2)nn1 ZINC000646404621 453367422 /nfs/dbraw/zinc/36/74/22/453367422.db2.gz JNFRCPKLNVTZJX-UHFFFAOYSA-N 2 0 334.468 1.108 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000653185096 453375823 /nfs/dbraw/zinc/37/58/23/453375823.db2.gz WKKWLHOSUOOKJH-MHORFTMASA-N 2 0 331.460 1.740 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[C@H]1CCC[NH2+]C1 ZINC000653190153 453380821 /nfs/dbraw/zinc/38/08/21/453380821.db2.gz HIHQMNIDEVCGSQ-ICUGJSFKSA-N 2 0 337.508 1.757 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000662668900 453382118 /nfs/dbraw/zinc/38/21/18/453382118.db2.gz SDBHOAJHNPOHQD-LSDHHAIUSA-N 2 0 346.479 1.167 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662668623 453382143 /nfs/dbraw/zinc/38/21/43/453382143.db2.gz HPNIRHIQWZTVJQ-ROUUACIJSA-N 2 0 331.460 1.653 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653194415 453383113 /nfs/dbraw/zinc/38/31/13/453383113.db2.gz HHMWOFIAGQEQIZ-KXBFYZLASA-N 2 0 331.460 1.828 20 0 EDADRP COC[C@H](C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1)OC ZINC000660538977 453384881 /nfs/dbraw/zinc/38/48/81/453384881.db2.gz REPPSJUJMSQKEV-IBGZPJMESA-N 2 0 335.492 1.397 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673803 453390400 /nfs/dbraw/zinc/39/04/00/453390400.db2.gz RKPUKLXUTKYFFY-QZTJIDSGSA-N 2 0 331.460 1.439 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000667078565 453391935 /nfs/dbraw/zinc/39/19/35/453391935.db2.gz XNKKYQNZUISSAR-YOEHRIQHSA-N 2 0 342.443 1.171 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662676630 453395840 /nfs/dbraw/zinc/39/58/40/453395840.db2.gz ZSNIFMIRCAPAIO-UHFFFAOYSA-N 2 0 331.460 1.918 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000662677726 453396175 /nfs/dbraw/zinc/39/61/75/453396175.db2.gz RONKSYIGCVQNLJ-GASCZTMLSA-N 2 0 331.460 1.115 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)C1(C)C ZINC000662694553 453417170 /nfs/dbraw/zinc/41/71/70/453417170.db2.gz SCZIZQFNQKBSKY-DAYGRLMNSA-N 2 0 325.497 1.756 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)C1C[NH2+]C1 ZINC000667155169 453442761 /nfs/dbraw/zinc/44/27/61/453442761.db2.gz HPALLWUEEOAMOD-UHFFFAOYSA-N 2 0 347.463 1.273 20 0 EDADRP O=C1[C@H]2C[N@H+](C[C@@H]3CCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000656787424 453446696 /nfs/dbraw/zinc/44/66/96/453446696.db2.gz KKWIILQINAKZQJ-ZACQAIPSSA-N 2 0 327.428 1.103 20 0 EDADRP C[C@H]1C[C@@H](C[N@@H+]2C[C@H](C(F)(F)F)[C@@H](S(C)(=O)=O)C2)CC[NH2+]1 ZINC000656787791 453447605 /nfs/dbraw/zinc/44/76/05/453447605.db2.gz VUBCIZLUJSYQCB-BJDJZHNGSA-N 2 0 328.400 1.282 20 0 EDADRP [NH3+]C1(CC(=O)NCc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000662723049 453449221 /nfs/dbraw/zinc/44/92/21/453449221.db2.gz BSOBTBHUZKZIRW-UHFFFAOYSA-N 2 0 344.459 1.010 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662728523 453455123 /nfs/dbraw/zinc/45/51/23/453455123.db2.gz BDDNSZHCHBTFHN-CVEARBPZSA-N 2 0 348.495 1.300 20 0 EDADRP Cc1cc(NC(=O)c2cc(C(C)(C)[NH3+])no2)n(C2CC[NH+](C)CC2)n1 ZINC000662745118 453474963 /nfs/dbraw/zinc/47/49/63/453474963.db2.gz VDPQWHUIDBBKNM-UHFFFAOYSA-N 2 0 346.435 1.892 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)C1 ZINC000662752189 453486993 /nfs/dbraw/zinc/48/69/93/453486993.db2.gz GPHMSTCCUAHOQC-JLSDUUJJSA-N 2 0 347.459 1.710 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000660699395 453522575 /nfs/dbraw/zinc/52/25/75/453522575.db2.gz FCJWHIYUPSYBEC-INIZCTEOSA-N 2 0 340.512 1.659 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000667266017 453525059 /nfs/dbraw/zinc/52/50/59/453525059.db2.gz JVFMMLPKFBDCTR-OAHLLOKOSA-N 2 0 332.448 1.253 20 0 EDADRP C[NH2+][C@@H](C)C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000655446963 453533565 /nfs/dbraw/zinc/53/35/65/453533565.db2.gz DACGRWMITCCEBL-HNNXBMFYSA-N 2 0 349.475 1.400 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)CC3([NH3+])CC3)CC[N@@H+]2C2CC2)c1 ZINC000662800082 453534500 /nfs/dbraw/zinc/53/45/00/453534500.db2.gz YGSHIQMJZIRAGN-AEFFLSMTSA-N 2 0 329.444 1.971 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)cc1 ZINC000662832256 453558654 /nfs/dbraw/zinc/55/86/54/453558654.db2.gz GWKCMOMJMDCAHA-ROUUACIJSA-N 2 0 331.460 1.708 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662859799 453575288 /nfs/dbraw/zinc/57/52/88/453575288.db2.gz OSLNPAFACWVPLH-QGZVFWFLSA-N 2 0 333.476 1.635 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2C[NH2+]CCO2)cc1 ZINC000662868553 453579892 /nfs/dbraw/zinc/57/98/92/453579892.db2.gz KNZBGYPEGBFXGT-BZSNNMDCSA-N 2 0 347.459 1.026 20 0 EDADRP CN(C(=O)[C@@H]1[NH2+]CCCC1(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900248 453593636 /nfs/dbraw/zinc/59/36/36/453593636.db2.gz KQZVBRPWSPWPFB-SJORKVTESA-N 2 0 336.524 1.392 20 0 EDADRP CC(C)(C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]([NH3+])c1ccccc1 ZINC000662906412 453597616 /nfs/dbraw/zinc/59/76/16/453597616.db2.gz KCTUNQJLAFPXQJ-DLBZAZTESA-N 2 0 330.476 1.219 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000659089236 453623995 /nfs/dbraw/zinc/62/39/95/453623995.db2.gz CLJWFKZYYYPHQC-AWEZNQCLSA-N 2 0 348.447 1.206 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000665289778 453637081 /nfs/dbraw/zinc/63/70/81/453637081.db2.gz XBKANTXTTGHVOY-KZNAEPCWSA-N 3 0 336.524 1.439 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC000665287742 453637370 /nfs/dbraw/zinc/63/73/70/453637370.db2.gz SUHKJYHLUFIPAI-HZPDHXFCSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291146 453637981 /nfs/dbraw/zinc/63/79/81/453637981.db2.gz VLEJNDCCRLHVSH-BBRMVZONSA-N 2 0 333.480 1.774 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000665409362 453684294 /nfs/dbraw/zinc/68/42/94/453684294.db2.gz FGQJCEMUGUERAT-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000659286923 453702078 /nfs/dbraw/zinc/70/20/78/453702078.db2.gz HNYDPYWBKCJYAL-UHFFFAOYSA-N 2 0 345.487 1.947 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000659354728 453726232 /nfs/dbraw/zinc/72/62/32/453726232.db2.gz GGPFJCXPGIBPQZ-DWRORGKVSA-N 2 0 331.435 1.777 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374382 453732691 /nfs/dbraw/zinc/73/26/91/453732691.db2.gz JYUQIQJEDPRVJY-SJLPKXTDSA-N 2 0 342.487 1.455 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC1 ZINC000665555773 453748043 /nfs/dbraw/zinc/74/80/43/453748043.db2.gz LCJLVLYSRQJKIF-HNNXBMFYSA-N 2 0 340.512 1.347 20 0 EDADRP Cc1c[nH]c(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1 ZINC000657352685 453773105 /nfs/dbraw/zinc/77/31/05/453773105.db2.gz KXNRPIHMKNZAGY-UHFFFAOYSA-N 2 0 329.452 1.200 20 0 EDADRP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)CO1 ZINC000657388451 453779676 /nfs/dbraw/zinc/77/96/76/453779676.db2.gz LPSRNANUUPBRNU-CVEARBPZSA-N 2 0 325.497 1.770 20 0 EDADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657430710 453785756 /nfs/dbraw/zinc/78/57/56/453785756.db2.gz AXQAPFJSOMFTPN-SFHVURJKSA-N 2 0 326.444 1.686 20 0 EDADRP C[C@@H](CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1)[NH+](C)C ZINC000663434225 453797378 /nfs/dbraw/zinc/79/73/78/453797378.db2.gz HXGRPJJNDLJNEJ-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC000663448903 453801180 /nfs/dbraw/zinc/80/11/80/453801180.db2.gz MDOGEIHRWKQEIZ-SQNIBIBYSA-N 2 0 348.491 1.168 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(Cc2nc3c(s2)C[NH2+]CC3)CC1 ZINC000663496230 453810247 /nfs/dbraw/zinc/81/02/47/453810247.db2.gz DVBIZHORDXYGAL-SUMWQHHRSA-N 2 0 336.505 1.507 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000415635048 486758221 /nfs/dbraw/zinc/75/82/21/486758221.db2.gz AWAZCWDJNJGQJX-GJZGRUSLSA-N 2 0 332.448 1.381 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000683705597 486795245 /nfs/dbraw/zinc/79/52/45/486795245.db2.gz SUOCGAPCXNFWOY-UHFFFAOYSA-N 2 0 327.428 1.889 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000387736721 486815436 /nfs/dbraw/zinc/81/54/36/486815436.db2.gz WEFKGDURTKWPDQ-CYBMUJFWSA-N 2 0 325.453 1.705 20 0 EDADRP C[C@@H](NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000681162129 486954851 /nfs/dbraw/zinc/95/48/51/486954851.db2.gz YOEORJFYFRCBNC-JKSUJKDBSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)C[C@H](C)O1 ZINC000667792456 486966249 /nfs/dbraw/zinc/96/62/49/486966249.db2.gz ZOPYHGPKHXRVTA-KBPBESRZSA-N 2 0 347.463 1.348 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H](CCO)C1)c1ccccc1 ZINC000681208293 486974096 /nfs/dbraw/zinc/97/40/96/486974096.db2.gz DEYYBQFUCODQPW-FUHWJXTLSA-N 2 0 333.476 1.500 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000681791174 487169281 /nfs/dbraw/zinc/16/92/81/487169281.db2.gz XISOBRATATZCIH-RTBURBONSA-N 2 0 344.503 1.647 20 0 EDADRP C[C@@H](NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC[NH+](C)CC1 ZINC000685048187 487221569 /nfs/dbraw/zinc/22/15/69/487221569.db2.gz KXQALQDNWYTBAT-OAHLLOKOSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674245711 487222761 /nfs/dbraw/zinc/22/27/61/487222761.db2.gz UYRJNMDMQMDEHX-INIZCTEOSA-N 2 0 332.492 1.390 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000674327999 487237557 /nfs/dbraw/zinc/23/75/57/487237557.db2.gz JREMCNDRICZSJX-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC[N@@H+]1C ZINC000678699397 487353311 /nfs/dbraw/zinc/35/33/11/487353311.db2.gz NPRQAAVNYZYJCF-UKRRQHHQSA-N 2 0 341.477 1.509 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326350 487415040 /nfs/dbraw/zinc/41/50/40/487415040.db2.gz UZVFCTCTRSKFBZ-DOTOQJQBSA-N 2 0 339.505 1.426 20 0 EDADRP Cn1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1=O ZINC000679537638 487436071 /nfs/dbraw/zinc/43/60/71/487436071.db2.gz XYCDEETZXQCTOM-UHFFFAOYSA-N 2 0 333.476 1.710 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000682999579 487440573 /nfs/dbraw/zinc/44/05/73/487440573.db2.gz NJKJVXSZVGCTOO-QGZVFWFLSA-N 2 0 325.416 1.772 20 0 EDADRP C[C@H]([NH2+]CCNS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675781115 487443526 /nfs/dbraw/zinc/44/35/26/487443526.db2.gz WPMLUBVPHSVRHP-AWEZNQCLSA-N 2 0 325.478 1.285 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CCN(C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000675782259 487443713 /nfs/dbraw/zinc/44/37/13/487443713.db2.gz PKPWKHWDZQEJDW-MRXNPFEDSA-N 2 0 348.491 1.052 20 0 EDADRP NC(=O)c1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C1 ZINC000675845275 487451410 /nfs/dbraw/zinc/45/14/10/487451410.db2.gz AMGJNMZMTBAUGQ-QGZVFWFLSA-N 2 0 342.487 1.828 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000679721155 487461526 /nfs/dbraw/zinc/46/15/26/487461526.db2.gz IODBYOFUQLYCDK-INIZCTEOSA-N 2 0 334.464 1.625 20 0 EDADRP OCC1([NH2+]CC2(C[NH2+]C3(CO)CCCCC3)COC2)CCCCC1 ZINC000679853866 487468852 /nfs/dbraw/zinc/46/88/52/487468852.db2.gz NYNRUBHXOHGHPE-UHFFFAOYSA-N 2 0 340.508 1.573 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@@H]21 ZINC000669513766 485478669 /nfs/dbraw/zinc/47/86/69/485478669.db2.gz FUOUXAZRLKIQOH-RYQLBKOJSA-N 2 0 327.472 1.894 20 0 EDADRP COc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2n1 ZINC000668302308 485581366 /nfs/dbraw/zinc/58/13/66/485581366.db2.gz DKJIYNYFYGUPCI-UHFFFAOYSA-N 2 0 344.459 1.809 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000669570382 485589466 /nfs/dbraw/zinc/58/94/66/485589466.db2.gz CNXZVBYEEKUCCM-VGOKWCNXSA-N 2 0 332.448 1.092 20 0 EDADRP C[C@@H]1CCCC[C@H]1NC(=O)CN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000670987656 485613572 /nfs/dbraw/zinc/61/35/72/485613572.db2.gz ZPPBKURWVOXJDI-FGTMMUONSA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000456877608 485648073 /nfs/dbraw/zinc/64/80/73/485648073.db2.gz IHGMUARJBUTUDN-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000669139227 485729680 /nfs/dbraw/zinc/72/96/80/485729680.db2.gz QJYWIZKXQZQVLL-IAGOWNOFSA-N 2 0 346.475 1.378 20 0 EDADRP Cc1ccncc1CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668618724 485960216 /nfs/dbraw/zinc/96/02/16/485960216.db2.gz UOBRDUBQWOSKJK-SFHVURJKSA-N 2 0 330.476 1.559 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)c1 ZINC000345402773 485973768 /nfs/dbraw/zinc/97/37/68/485973768.db2.gz ISPHBUSOJHANFM-AEFFLSMTSA-N 2 0 346.475 1.829 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C[NH3+])o2)CC1 ZINC000237432578 485981620 /nfs/dbraw/zinc/98/16/20/485981620.db2.gz FQVZMXQKQPGIRG-HUUCEWRRSA-N 2 0 334.464 1.369 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669349089 485997600 /nfs/dbraw/zinc/99/76/00/485997600.db2.gz DGYLVVSMJAQZFA-PLNGDYQASA-N 2 0 331.464 1.013 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669366021 486013649 /nfs/dbraw/zinc/01/36/49/486013649.db2.gz HMYOHERNBSHWEI-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000668677989 486032971 /nfs/dbraw/zinc/03/29/71/486032971.db2.gz AGVMPUPCYZTYJJ-SFHVURJKSA-N 2 0 346.475 1.883 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)c1ccc(F)cc1 ZINC000669398666 486059130 /nfs/dbraw/zinc/05/91/30/486059130.db2.gz NZDXFOYILYZDEB-XOKHGSTOSA-N 2 0 334.439 1.822 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)C1 ZINC000668727476 486093794 /nfs/dbraw/zinc/09/37/94/486093794.db2.gz FKDISTUFOYQGNP-AEFFLSMTSA-N 2 0 338.496 1.128 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669420339 486141245 /nfs/dbraw/zinc/14/12/45/486141245.db2.gz JMSWMGBXPTXSFV-WNRNVDISSA-N 2 0 328.460 1.416 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCO1 ZINC000668490920 491180721 /nfs/dbraw/zinc/18/07/21/491180721.db2.gz IWVFKVCQTYCABT-RYQLBKOJSA-N 2 0 346.475 1.581 20 0 EDADRP CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000419134506 517575727 /nfs/dbraw/zinc/57/57/27/517575727.db2.gz KDMPOOWUJZXNIM-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000188722968 520401809 /nfs/dbraw/zinc/40/18/09/520401809.db2.gz VBNNUQKWUBRQQV-UHFFFAOYSA-N 2 0 333.480 1.640 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NCc1ccc2c(c1)C[NH2+]C2 ZINC000188738066 526330125 /nfs/dbraw/zinc/33/01/25/526330125.db2.gz UENWPUBUQFVCBM-UHFFFAOYSA-N 2 0 343.471 1.941 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000155074296 529014016 /nfs/dbraw/zinc/01/40/16/529014016.db2.gz UXMVSOFVKDMNOA-INIZCTEOSA-N 2 0 348.491 1.872 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187121770 529144955 /nfs/dbraw/zinc/14/49/55/529144955.db2.gz JNRSVGIEWSPSPZ-UHFFFAOYSA-N 2 0 344.503 1.713 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C1 ZINC000262950720 535110373 /nfs/dbraw/zinc/11/03/73/535110373.db2.gz BYCPDKKOBIYZLO-MTCSXPRVSA-N 2 0 337.508 1.613 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000077540798 535513733 /nfs/dbraw/zinc/51/37/33/535513733.db2.gz RUZCCQVHSUWURT-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000262453226 535522425 /nfs/dbraw/zinc/52/24/25/535522425.db2.gz ZXOKDOJTUHSAFF-QZWWFDLISA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000347908174 535533124 /nfs/dbraw/zinc/53/31/24/535533124.db2.gz HAUQYWHGLNYIFD-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](c2nc(C[C@H](C)[NH2+]C)no2)CC1=O ZINC000261902959 535550918 /nfs/dbraw/zinc/55/09/18/535550918.db2.gz YTDZVUFHKILHFW-MELADBBJSA-N 2 0 335.452 1.020 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000346120465 535660568 /nfs/dbraw/zinc/66/05/68/535660568.db2.gz AAHOAXQHGLPHMF-UHFFFAOYSA-N 2 0 332.492 1.044 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262631380 535738814 /nfs/dbraw/zinc/73/88/14/535738814.db2.gz FGTHCPBZCKDQFV-NUJGCVRESA-N 2 0 332.492 1.465 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261747110 535771223 /nfs/dbraw/zinc/77/12/23/535771223.db2.gz DZRBEERFOHUVPT-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@]3(C)CCCC[NH2+]3)ccc2oc1=O ZINC000236991466 535933120 /nfs/dbraw/zinc/93/31/20/535933120.db2.gz ZCHMIXYEXQZSKR-SFHVURJKSA-N 2 0 346.431 1.627 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237029369 535951397 /nfs/dbraw/zinc/95/13/97/535951397.db2.gz VACOOPWKULUBFO-WMZOPIPTSA-N 2 0 332.492 1.294 20 0 EDADRP CC[C@@]1(C)CCC[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000247692959 536037678 /nfs/dbraw/zinc/03/76/78/536037678.db2.gz WEJPJKLKERFRGX-HKUYNNGSSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000343767300 536126391 /nfs/dbraw/zinc/12/63/91/536126391.db2.gz HCPLTDWLSKGJHW-HMQMGEFJSA-N 2 0 329.444 1.220 20 0 EDADRP C[N@H+](CCC1OCCO1)[C@@H]1CCC[NH+](CCC2OCCO2)CC1 ZINC000125190898 536326173 /nfs/dbraw/zinc/32/61/73/536326173.db2.gz HQIXMMAHMGGARH-OAHLLOKOSA-N 2 0 328.453 1.299 20 0 EDADRP C[NH2+][C@H](C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1)c1cnn(C)c1 ZINC000262415334 536380091 /nfs/dbraw/zinc/38/00/91/536380091.db2.gz QZYSHSIERWVEMK-AEFFLSMTSA-N 2 0 347.507 1.651 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH3+])CCOCC1 ZINC000261880086 536449450 /nfs/dbraw/zinc/44/94/50/536449450.db2.gz PCMATPFXMKTWHK-QGZVFWFLSA-N 2 0 331.460 1.475 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000262823494 536560662 /nfs/dbraw/zinc/56/06/62/536560662.db2.gz XMSLQUZRNRWSFQ-INMHGKMJSA-N 2 0 341.496 1.088 20 0 EDADRP COc1ccccc1OCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519295 537094473 /nfs/dbraw/zinc/09/44/73/537094473.db2.gz DIMQKHSTTWZNDQ-UHFFFAOYSA-N 2 0 349.475 1.464 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000741384478 579414092 /nfs/dbraw/zinc/41/40/92/579414092.db2.gz BXZRTTSWQBUWDY-MSOLQXFVSA-N 2 0 336.476 1.846 20 0 EDADRP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000742780192 579462105 /nfs/dbraw/zinc/46/21/05/579462105.db2.gz IMZLUULSDBZXEA-SJORKVTESA-N 2 0 325.497 1.556 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=S)NCC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000727072931 578514327 /nfs/dbraw/zinc/51/43/27/578514327.db2.gz RPBVTOBTXZKHDZ-GJZGRUSLSA-N 2 0 344.569 1.538 20 0 EDADRP C[NH+](C)CCNC(=S)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000729162797 578560504 /nfs/dbraw/zinc/56/05/04/578560504.db2.gz LYFBBYNLLFGQRL-UHFFFAOYSA-N 2 0 338.521 1.195 20 0 EDADRP CCCn1cc(C[N@@H+]2CCCN(c3cc(C)[nH+]c(N)n3)CC2)cn1 ZINC000729919210 578599079 /nfs/dbraw/zinc/59/90/79/578599079.db2.gz DJKREZWVLOCEIP-UHFFFAOYSA-N 2 0 329.452 1.686 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000732448213 578712746 /nfs/dbraw/zinc/71/27/46/578712746.db2.gz FPZAHNAHLSCBNY-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC000734453150 578815422 /nfs/dbraw/zinc/81/54/22/578815422.db2.gz NEIHVYUYFNACAS-GOSISDBHSA-N 2 0 336.524 1.491 20 0 EDADRP CC(C)(C)OC(=O)NC[C@](C)([NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000749434558 579726648 /nfs/dbraw/zinc/72/66/48/579726648.db2.gz ATVFQSHXEVSPQU-QAPCUYQASA-N 2 0 341.496 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NC[C@H]1CCOC1 ZINC000749688539 579735190 /nfs/dbraw/zinc/73/51/90/579735190.db2.gz RMAFLEUEFBBWMH-CVEARBPZSA-N 2 0 342.553 1.245 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NCC(F)(F)F ZINC000750973876 579789227 /nfs/dbraw/zinc/78/92/27/579789227.db2.gz LDVRMMATYIBNPR-UHFFFAOYSA-N 2 0 328.448 1.629 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(NC)n1 ZINC000762233036 580070255 /nfs/dbraw/zinc/07/02/55/580070255.db2.gz AGTAKUFQAXFGSZ-ZDUSSCGKSA-N 2 0 339.509 1.673 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000764767512 580128323 /nfs/dbraw/zinc/12/83/23/580128323.db2.gz IYSGAXOOPIDWFD-ZDUSSCGKSA-N 2 0 325.478 1.878 20 0 EDADRP O[C@H](CN1CCCC1)C[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000769919707 580248488 /nfs/dbraw/zinc/24/84/88/580248488.db2.gz KYRDKXPZAJWPFV-IAGOWNOFSA-N 2 0 328.460 1.957 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC=CO1 ZINC000775033573 580381289 /nfs/dbraw/zinc/38/12/89/580381289.db2.gz OBKLLOSPKAPCBN-ROUUACIJSA-N 2 0 331.460 1.558 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000775372660 580389418 /nfs/dbraw/zinc/38/94/18/580389418.db2.gz FTCYSTJIITXBAA-OAGGEKHMSA-N 2 0 329.579 1.983 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NOCCSC ZINC000793426586 580843889 /nfs/dbraw/zinc/84/38/89/580843889.db2.gz TUXHJFXWVCHWHD-CQSZACIVSA-N 2 0 332.514 1.339 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C(C)(C)C)C1)C2=O ZINC000794707561 580903909 /nfs/dbraw/zinc/90/39/09/580903909.db2.gz YOLVBYQUMNAUKL-CQSZACIVSA-N 2 0 336.480 1.718 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000891826637 590640102 /nfs/dbraw/zinc/64/01/02/590640102.db2.gz FVLCRPXMCXOSHN-QGZVFWFLSA-N 2 0 346.475 1.835 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3c(c2)CCCO3)CC1 ZINC000891832936 590642990 /nfs/dbraw/zinc/64/29/90/590642990.db2.gz FIHJMRIMVKSJKW-UHFFFAOYSA-N 2 0 345.487 1.901 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000891901129 590679637 /nfs/dbraw/zinc/67/96/37/590679637.db2.gz FJBWGKYIYHNNGV-AVGNSLFASA-N 2 0 338.418 1.885 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CCN1c1cc[nH+]cc1 ZINC000891977473 590719951 /nfs/dbraw/zinc/71/99/51/590719951.db2.gz KUWZNWBSEMNDBF-OAHLLOKOSA-N 2 0 331.464 1.963 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893320812 590777723 /nfs/dbraw/zinc/77/77/23/590777723.db2.gz RVMMJOAZZMGDOQ-HZPDHXFCSA-N 2 0 329.460 1.237 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893328040 590782197 /nfs/dbraw/zinc/78/21/97/590782197.db2.gz RRMOXBCZTMYEJK-HOTGVXAUSA-N 2 0 329.460 1.237 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000892086016 590790472 /nfs/dbraw/zinc/79/04/72/590790472.db2.gz FYQGXFFHIFBOSZ-KBPBESRZSA-N 2 0 342.365 1.568 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000892090758 590794176 /nfs/dbraw/zinc/79/41/76/590794176.db2.gz HYOXNBQREIRFFH-PBHICJAKSA-N 2 0 331.464 1.819 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000892129976 590813655 /nfs/dbraw/zinc/81/36/55/590813655.db2.gz FFYKPWIUQZMYDR-INIZCTEOSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCN1c1cc[nH+]cc1 ZINC000892157296 590829260 /nfs/dbraw/zinc/82/92/60/590829260.db2.gz XDFLPZLNISBXHA-GXTWGEPZSA-N 2 0 339.390 1.299 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCN1c1cc[nH+]cc1 ZINC000892157297 590829387 /nfs/dbraw/zinc/82/93/87/590829387.db2.gz XDFLPZLNISBXHA-JSGCOSHPSA-N 2 0 339.390 1.299 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CCSC1 ZINC000893415876 590856164 /nfs/dbraw/zinc/85/61/64/590856164.db2.gz HHGFDXXMMOFXJQ-FMKPAKJESA-N 2 0 326.510 1.302 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@H]1C(F)(F)F ZINC000892234983 590879496 /nfs/dbraw/zinc/87/94/96/590879496.db2.gz BNHRAMRDCXZWGV-SYQHCUMBSA-N 2 0 348.413 1.782 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000892258112 590891030 /nfs/dbraw/zinc/89/10/30/590891030.db2.gz YUSNSSJYKSOJMM-VZDIDWBNSA-N 2 0 346.450 1.937 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NCCOCC[NH2+]C)CC1 ZINC000892280317 590910764 /nfs/dbraw/zinc/91/07/64/590910764.db2.gz JVVZEMHBVXZAAS-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)N1C[C@@H]2C[NH+](C)C[C@]2(C)C1 ZINC000892286369 590914604 /nfs/dbraw/zinc/91/46/04/590914604.db2.gz KBWYBWDGBXNMMH-OYNZLANYSA-N 2 0 336.524 1.946 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CC[NH+](CC2CC2)CC1 ZINC000892348170 590976716 /nfs/dbraw/zinc/97/67/16/590976716.db2.gz MUDBUGAISSSDKR-UHFFFAOYSA-N 2 0 328.460 1.570 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)[NH2+]C1 ZINC000892389270 591006408 /nfs/dbraw/zinc/00/64/08/591006408.db2.gz LPWPHNYWBVGQNU-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000892394097 591008580 /nfs/dbraw/zinc/00/85/80/591008580.db2.gz ILDFCWISZJNTDJ-SFHVURJKSA-N 2 0 332.492 1.930 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000892434390 591027160 /nfs/dbraw/zinc/02/71/60/591027160.db2.gz YVUKWDKJPKDDBY-JQHSSLGASA-N 2 0 332.492 1.971 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892435805 591027604 /nfs/dbraw/zinc/02/76/04/591027604.db2.gz GFOQZRMOGUXZCK-WKILWMFISA-N 2 0 339.528 1.219 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892452292 591032736 /nfs/dbraw/zinc/03/27/36/591032736.db2.gz MNFWQYZBSYRRTM-UHFFFAOYSA-N 2 0 336.480 1.295 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891348924 591054243 /nfs/dbraw/zinc/05/42/43/591054243.db2.gz RNQNLSMNZSIHNU-CABCVRRESA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000891354785 591056587 /nfs/dbraw/zinc/05/65/87/591056587.db2.gz SLXOELXYBCTSAN-IAGOWNOFSA-N 2 0 345.491 1.330 20 0 EDADRP O=C(NC/C=C/Cl)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892545740 591067480 /nfs/dbraw/zinc/06/74/80/591067480.db2.gz XIYBAJCEMCEVEB-ORCRQEGFSA-N 2 0 337.855 1.645 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@@H]43)CC2)CC1 ZINC000891459550 591078070 /nfs/dbraw/zinc/07/80/70/591078070.db2.gz AXGWLPXJEAWJEY-ROUUACIJSA-N 3 0 349.523 1.081 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CC2)CC1 ZINC000891463438 591080054 /nfs/dbraw/zinc/08/00/54/591080054.db2.gz XUGZMZLHJQJJBZ-GOEBONIOSA-N 2 0 337.512 1.114 20 0 EDADRP CCn1cc(C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)c(C)n1 ZINC000892595795 591086611 /nfs/dbraw/zinc/08/66/11/591086611.db2.gz XVVALBMTSZLLAQ-UHFFFAOYSA-N 2 0 328.464 1.648 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000891514758 591103693 /nfs/dbraw/zinc/10/36/93/591103693.db2.gz YWZJBVSYLCRSKS-RKVPGOIHSA-N 2 0 338.496 1.256 20 0 EDADRP Nc1cc[nH+]c(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)c1 ZINC000891519201 591105001 /nfs/dbraw/zinc/10/50/01/591105001.db2.gz YHPOBRLYEQMEHH-UHFFFAOYSA-N 2 0 333.436 1.108 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)Cc1ccccc1 ZINC000891534725 591111527 /nfs/dbraw/zinc/11/15/27/591111527.db2.gz QDPQUDKVFRMLGA-NLWGTHIKSA-N 2 0 344.503 1.752 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[N@H+](C)Cc1ccccc1 ZINC000891538928 591113160 /nfs/dbraw/zinc/11/31/60/591113160.db2.gz XDZKZUXYUKWVJJ-VDZJLULYSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000891544534 591118423 /nfs/dbraw/zinc/11/84/23/591118423.db2.gz WVJRSVNHHCZSML-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000891597409 591141663 /nfs/dbraw/zinc/14/16/63/591141663.db2.gz OSLKJMUFBRZLFA-RZLSGREXSA-N 2 0 334.489 1.887 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892758202 591162998 /nfs/dbraw/zinc/16/29/98/591162998.db2.gz ZGFGAYUPCHYOON-INIZCTEOSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@]1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[NH+]2CCC1CC2 ZINC000892780365 591173168 /nfs/dbraw/zinc/17/31/68/591173168.db2.gz GXGQBOMAYBFMFJ-GOSISDBHSA-N 2 0 335.492 1.622 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892782715 591173828 /nfs/dbraw/zinc/17/38/28/591173828.db2.gz AXVFGKOQFZAPAV-INIZCTEOSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000891672425 591178322 /nfs/dbraw/zinc/17/83/22/591178322.db2.gz ALNWGNOVQCIMIJ-DZJNRPSUSA-N 2 0 328.460 1.795 20 0 EDADRP CN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892809074 591187744 /nfs/dbraw/zinc/18/77/44/591187744.db2.gz RWILNYORSASMMG-SJLPKXTDSA-N 2 0 328.460 1.579 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)C[C@@H](C)O1 ZINC000891729325 591201842 /nfs/dbraw/zinc/20/18/42/591201842.db2.gz RDKFMLYRFQIWCL-XLMAVXFVSA-N 2 0 338.496 1.079 20 0 EDADRP Cc1cn(C(C)(C)C(=O)N2CCC[N@H+](C[C@@H]3CCCO3)CC2)cn1 ZINC000895668635 591247217 /nfs/dbraw/zinc/24/72/17/591247217.db2.gz POBLTBBGZBAIAH-INIZCTEOSA-N 2 0 334.464 1.640 20 0 EDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CCCN(CCN3CCOCC3)C2)CS1 ZINC000895686416 591248950 /nfs/dbraw/zinc/24/89/50/591248950.db2.gz ROYMRQSLRUSYJT-BZSNNMDCSA-N 2 0 341.565 1.903 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[C@@H]3CCC[NH+]4C)C2)CC1 ZINC000893025261 591258565 /nfs/dbraw/zinc/25/85/65/591258565.db2.gz YZHMRXSIIXOERU-JQHSSLGASA-N 2 0 349.523 1.033 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)[nH]c1C ZINC000894378759 591295661 /nfs/dbraw/zinc/29/56/61/591295661.db2.gz VCKCYSLQKRSNCM-UHFFFAOYSA-N 2 0 336.480 1.617 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000895912330 591302703 /nfs/dbraw/zinc/30/27/03/591302703.db2.gz WSPVFWKNHQTFBH-MRXNPFEDSA-N 2 0 345.491 1.322 20 0 EDADRP COC(=O)[C@H]1[C@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1(F)F ZINC000894413962 591305337 /nfs/dbraw/zinc/30/53/37/591305337.db2.gz IQVDSQIJIAGXJT-GXTWGEPZSA-N 2 0 343.374 1.166 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]CCCOCCO)c2c1OC(F)(F)O2 ZINC000894433157 591311666 /nfs/dbraw/zinc/31/16/66/591311666.db2.gz BTOKPPNIPSZEJG-UHFFFAOYSA-N 2 0 346.374 1.558 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3C[NH+](C)C[C@]3(C)C2)CCCO1 ZINC000894447966 591314246 /nfs/dbraw/zinc/31/42/46/591314246.db2.gz JXMVHAVHOHYCME-XYJFISCASA-N 2 0 338.496 1.080 20 0 EDADRP CCc1cc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000896018252 591324597 /nfs/dbraw/zinc/32/45/97/591324597.db2.gz XHYYGTYZPHVDCA-UHFFFAOYSA-N 2 0 343.431 1.574 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)NCCCNc2ccccn2)[nH]n1 ZINC000896340810 591425506 /nfs/dbraw/zinc/42/55/06/591425506.db2.gz KPCHELODKGLGHV-HNNXBMFYSA-N 2 0 328.420 1.803 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccc(OC(F)F)nn2)C[C@H]1C[NH+](C)C ZINC000894869343 591451517 /nfs/dbraw/zinc/45/15/17/591451517.db2.gz YRKLXNOEHIPQEQ-VXGBXAGGSA-N 2 0 329.395 1.254 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000897481678 591487506 /nfs/dbraw/zinc/48/75/06/591487506.db2.gz HIAWTNGMUAXBBL-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896539366 591501957 /nfs/dbraw/zinc/50/19/57/591501957.db2.gz NGYOBAHJJIUYSF-QAPCUYQASA-N 2 0 332.492 1.155 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000897515140 591515394 /nfs/dbraw/zinc/51/53/94/591515394.db2.gz JRTUQYPIPQXKCO-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC1 ZINC000896746095 591600729 /nfs/dbraw/zinc/60/07/29/591600729.db2.gz WWPWFGMXQLVEBD-UHFFFAOYSA-N 2 0 329.448 1.732 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)CC(C)C ZINC000896895298 591659447 /nfs/dbraw/zinc/65/94/47/591659447.db2.gz WSPWRARAUKOCTG-SJORKVTESA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2C[C@H]3CC[C@@H](C2)S3)C[C@H]1C[NH+](C)C ZINC000899158580 591711813 /nfs/dbraw/zinc/71/18/13/591711813.db2.gz SCZOMTSDVUQSIY-UXVQCPNWSA-N 2 0 339.549 1.858 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000897909236 591717679 /nfs/dbraw/zinc/71/76/79/591717679.db2.gz SWUYCPPJASISIF-XWTMOSNGSA-N 2 0 331.460 1.753 20 0 EDADRP Cc1cnc2c(cnn2CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000899248015 591748993 /nfs/dbraw/zinc/74/89/93/591748993.db2.gz SPIWQZYNOBZJIA-HNNXBMFYSA-N 2 0 346.479 1.128 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1cccc(F)c1 ZINC000895462523 591767047 /nfs/dbraw/zinc/76/70/47/591767047.db2.gz XXBWBWVRBJHHTC-SFHVURJKSA-N 2 0 349.450 1.655 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000900018497 591869438 /nfs/dbraw/zinc/86/94/38/591869438.db2.gz IVSHJESJEGXOSY-MRXNPFEDSA-N 2 0 329.448 1.477 20 0 EDADRP CCOC(=O)N1C[C@@H](CO)[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000898355890 591886872 /nfs/dbraw/zinc/88/68/72/591886872.db2.gz FEDWIHYFWOKCOI-ZFWWWQNUSA-N 2 0 327.469 1.288 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900173988 591938293 /nfs/dbraw/zinc/93/82/93/591938293.db2.gz FQXPKLLGOGEAFR-UHFFFAOYSA-N 2 0 347.459 1.806 20 0 EDADRP Cc1nccn1CCCN(C)CN1C(=O)[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1=O ZINC000902197386 591942919 /nfs/dbraw/zinc/94/29/19/591942919.db2.gz WYCBABBNOGPILV-DRMAHVMPSA-N 2 0 342.443 1.668 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902352323 591984826 /nfs/dbraw/zinc/98/48/26/591984826.db2.gz KTEBQJDTGAFOAD-HNNXBMFYSA-N 2 0 339.505 1.641 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902362903 591987021 /nfs/dbraw/zinc/98/70/21/591987021.db2.gz JBSDYYBPERFUCU-INIZCTEOSA-N 2 0 345.553 1.804 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900354172 591993414 /nfs/dbraw/zinc/99/34/14/591993414.db2.gz UXXIPUPRAJCPDI-XHSDSOJGSA-N 2 0 335.496 1.541 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499393 592002620 /nfs/dbraw/zinc/00/26/20/592002620.db2.gz JOZYMTBZAKEYGZ-CWRNSKLLSA-N 2 0 327.432 1.309 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902500743 592003129 /nfs/dbraw/zinc/00/31/29/592003129.db2.gz HCOCLSKMEASXND-MGTHKWJCSA-N 2 0 345.443 1.126 20 0 EDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@H]1CCN(c3cn[nH]c(=O)c3Cl)C1)[NH2+]2 ZINC000902521296 592010117 /nfs/dbraw/zinc/01/01/17/592010117.db2.gz RCEUEAYYUULYJY-KSSYENDESA-N 2 0 337.855 1.533 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902522817 592010514 /nfs/dbraw/zinc/01/05/14/592010514.db2.gz YLEDCKZWZNTNAO-SDDRHHMPSA-N 2 0 325.844 1.521 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900442346 592019595 /nfs/dbraw/zinc/01/95/95/592019595.db2.gz QDKAZLDYUFMORR-IAGOWNOFSA-N 2 0 342.443 1.884 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000900477339 592029305 /nfs/dbraw/zinc/02/93/05/592029305.db2.gz CFSIWMYJBJKQIH-LIRRHRJNSA-N 2 0 348.491 1.458 20 0 EDADRP C[C@H]1CN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CCO1 ZINC000900487162 592031821 /nfs/dbraw/zinc/03/18/21/592031821.db2.gz XVNPSYWTYAFEEJ-AWEZNQCLSA-N 2 0 330.432 1.741 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCCC[C@H]2C[NH+](C)C)CC1 ZINC000900564363 592053532 /nfs/dbraw/zinc/05/35/32/592053532.db2.gz UMCXOCPVZANMJQ-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000902903939 592082381 /nfs/dbraw/zinc/08/23/81/592082381.db2.gz HIHNSUISCAUMIK-OAGGEKHMSA-N 2 0 340.537 1.740 20 0 EDADRP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900669030 592086725 /nfs/dbraw/zinc/08/67/25/592086725.db2.gz HJPWVUJYLOOLHE-QYZOEREBSA-N 2 0 348.535 1.630 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)C1 ZINC000900710261 592101625 /nfs/dbraw/zinc/10/16/25/592101625.db2.gz LVKIFZXECCDUKB-VUHPKUFZSA-N 2 0 337.508 1.555 20 0 EDADRP CCS(=O)(=O)N(C)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903068721 592118557 /nfs/dbraw/zinc/11/85/57/592118557.db2.gz LMFZOVRKWGHRHR-VHRNVKJDSA-N 2 0 329.510 1.405 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903112455 592122985 /nfs/dbraw/zinc/12/29/85/592122985.db2.gz NHOLBEMEWVEJTD-ZISVNPBTSA-N 2 0 338.492 1.788 20 0 EDADRP COC(=O)N1CCC([NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117571 592123346 /nfs/dbraw/zinc/12/33/46/592123346.db2.gz VCASXRBFYADKIO-CBZIJGRNSA-N 2 0 339.480 1.287 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@H](C)CS(=O)(=O)CC)C2)[C@@H]1C(C)C ZINC000903122225 592124155 /nfs/dbraw/zinc/12/41/55/592124155.db2.gz XFACOIUVSSGCDY-MTSZKFMLSA-N 2 0 346.537 1.269 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903148241 592129282 /nfs/dbraw/zinc/12/92/82/592129282.db2.gz RPOZMWDYUNWLDF-ZCNNSNEGSA-N 2 0 346.471 1.681 20 0 EDADRP CS(=O)(=O)CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)CC1 ZINC000903198955 592134358 /nfs/dbraw/zinc/13/43/58/592134358.db2.gz HOYNLOPGEROUJH-VHRNVKJDSA-N 2 0 326.506 1.949 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900819547 592136706 /nfs/dbraw/zinc/13/67/06/592136706.db2.gz JTCKPBDZZWFOAC-AQEOSJORSA-N 2 0 337.508 1.676 20 0 EDADRP C([C@@H]1CCCO1)N1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000903269788 592149088 /nfs/dbraw/zinc/14/90/88/592149088.db2.gz BORJBRAKOVAITE-KSZLIROESA-N 2 0 339.549 1.799 20 0 EDADRP O=C([C@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1)N1CC[NH2+]CC1 ZINC000903422299 592170772 /nfs/dbraw/zinc/17/07/72/592170772.db2.gz XLBAVMNBBKWXCW-XQLPTFJDSA-N 2 0 327.419 1.422 20 0 EDADRP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)C1 ZINC000903442006 592172234 /nfs/dbraw/zinc/17/22/34/592172234.db2.gz FOJQMSMRCFMLDM-BDXSIMOUSA-N 2 0 336.524 1.426 20 0 EDADRP O=C1[C@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505489 592181888 /nfs/dbraw/zinc/18/18/88/592181888.db2.gz DGDPGIGPMWTACI-FGTMMUONSA-N 2 0 332.492 1.040 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000900958498 592185419 /nfs/dbraw/zinc/18/54/19/592185419.db2.gz JMRYSIWRWURZFD-QZTJIDSGSA-N 2 0 338.540 1.782 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCc2nc3ccccc3s2)C[C@H]1CC[NH3+] ZINC000903496918 592188352 /nfs/dbraw/zinc/18/83/52/592188352.db2.gz KEEVRJWBGRFUOB-ZIAGYGMSSA-N 2 0 346.500 1.872 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1c1ccccc1 ZINC000904334456 592233444 /nfs/dbraw/zinc/23/34/44/592233444.db2.gz WLLRXHGWXWHKEA-MJGOQNOKSA-N 3 0 340.471 1.864 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1C ZINC000904351147 592236849 /nfs/dbraw/zinc/23/68/49/592236849.db2.gz UYCVFVZRJXJIRW-MRXNPFEDSA-N 2 0 347.459 1.601 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cn(Cc3cccnc3)nn1)CC2 ZINC000904392291 592242802 /nfs/dbraw/zinc/24/28/02/592242802.db2.gz OWZDAOOXUVAEAD-KRWDZBQOSA-N 2 0 342.447 1.051 20 0 EDADRP C[C@@]1(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)CCC[NH2+]C1 ZINC000904378936 592244794 /nfs/dbraw/zinc/24/47/94/592244794.db2.gz MWGFNTZATSUOJN-VQIMIIECSA-N 2 0 346.523 1.388 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664568 592246778 /nfs/dbraw/zinc/24/67/78/592246778.db2.gz LYAPCQKPSDVUDC-UHFFFAOYSA-N 2 0 334.464 1.619 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000906672898 592253762 /nfs/dbraw/zinc/25/37/62/592253762.db2.gz GISCPWNERIGYNZ-UHFFFAOYSA-N 2 0 348.491 1.196 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906679320 592261305 /nfs/dbraw/zinc/26/13/05/592261305.db2.gz WWFYGHKHBCSMFQ-KRWDZBQOSA-N 2 0 338.540 1.641 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906680276 592262153 /nfs/dbraw/zinc/26/21/53/592262153.db2.gz MPFHOULWZMXAQL-HZPDHXFCSA-N 2 0 344.459 1.514 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C1 ZINC000904459031 592265721 /nfs/dbraw/zinc/26/57/21/592265721.db2.gz MXLZDXQAMSWXLI-KRWDZBQOSA-N 3 0 344.503 1.176 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@]34CCC[C@H]3C[NH2+]C4)cn2)CC1 ZINC000904529299 592280117 /nfs/dbraw/zinc/28/01/17/592280117.db2.gz DYJFFTKXKSKKBF-GUYCJALGSA-N 2 0 332.452 1.413 20 0 EDADRP CCCCN(C)C(=O)C1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722397 592283790 /nfs/dbraw/zinc/28/37/90/592283790.db2.gz LVUKSVOZPDZYFL-HKUYNNGSSA-N 2 0 337.508 1.726 20 0 EDADRP NC(=O)c1ccc(C[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725458 592285329 /nfs/dbraw/zinc/28/53/29/592285329.db2.gz ZVVDJUPHOUVNSX-IEBWSBKVSA-N 2 0 329.444 1.519 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC(C)(C)C2)c1 ZINC000906721590 592292935 /nfs/dbraw/zinc/29/29/35/592292935.db2.gz MXWFIMRYRQVWDI-UHFFFAOYSA-N 2 0 332.448 1.193 20 0 EDADRP Fc1cccc([C@H]2C[NH2+]CCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747756 592294277 /nfs/dbraw/zinc/29/42/77/592294277.db2.gz WOIACJRKKFHPSR-ZWKOTPCHSA-N 2 0 333.451 1.931 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903736797 592298949 /nfs/dbraw/zinc/29/89/49/592298949.db2.gz NAQZPYNKIYDIMQ-PJVZLEMVSA-N 2 0 337.508 1.329 20 0 EDADRP CC(C)C[C@H](NC(=O)Nc1ccccc1C[NH3+])C(=O)NCC[NH+](C)C ZINC000904649544 592304130 /nfs/dbraw/zinc/30/41/30/592304130.db2.gz UOPILPYQRSADTL-INIZCTEOSA-N 2 0 349.479 1.359 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CC(=O)NC[C@H]2CCCO2)CC1 ZINC000903793307 592315877 /nfs/dbraw/zinc/31/58/77/592315877.db2.gz QYFZKVCXVIKXTI-QGZVFWFLSA-N 2 0 331.460 1.274 20 0 EDADRP C[NH+]1CCN(Cc2ccccc2-c2cnc3n2C[C@@H]([NH3+])CC3)CC1 ZINC000904804626 592329298 /nfs/dbraw/zinc/32/92/98/592329298.db2.gz DWYOFGBBPSADOQ-INIZCTEOSA-N 2 0 325.460 1.571 20 0 EDADRP Cn1cc([C@@H]2CSCCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cn1 ZINC000903829629 592335390 /nfs/dbraw/zinc/33/53/90/592335390.db2.gz IOWUZJFPWAFQGK-YESZJQIVSA-N 2 0 336.505 1.669 20 0 EDADRP COc1ccccc1N1CCC[N@H+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000903830090 592336226 /nfs/dbraw/zinc/33/62/26/592336226.db2.gz SGCLEKNQUCUJKB-INIZCTEOSA-N 2 0 331.460 1.586 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[N@H+](C[C@H]3CCCO3)CC2)cnn1C ZINC000903880081 592360787 /nfs/dbraw/zinc/36/07/87/592360787.db2.gz NYCPRMPGNFAICL-PKOBYXMFSA-N 2 0 349.523 1.033 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC(C[NH+]2CCCC2)CC1 ZINC000903881366 592360884 /nfs/dbraw/zinc/36/08/84/592360884.db2.gz ZEOIQPVZSKMTSV-KRWDZBQOSA-N 2 0 332.496 1.510 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)[C@@H]2CCc3ccccc32)cnn1C ZINC000903893178 592365931 /nfs/dbraw/zinc/36/59/31/592365931.db2.gz RXSMLXKFFHWSGI-OXQOHEQNSA-N 2 0 342.487 1.828 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000903892670 592366035 /nfs/dbraw/zinc/36/60/35/592366035.db2.gz LDUCBUXYBLWUEA-HOTGVXAUSA-N 2 0 346.479 1.037 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cnn1C ZINC000903898377 592369612 /nfs/dbraw/zinc/36/96/12/592369612.db2.gz KKGRHMDMZDOHDY-UWVAXJGDSA-N 2 0 345.535 1.795 20 0 EDADRP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnccn1 ZINC000906821803 592372751 /nfs/dbraw/zinc/37/27/51/592372751.db2.gz BHUIPPRJTBKQHT-MRXNPFEDSA-N 2 0 345.491 1.647 20 0 EDADRP Cc1ccc(C[C@H](CO)[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903928157 592380777 /nfs/dbraw/zinc/38/07/77/592380777.db2.gz WNUYPNXEIBVRHE-SJORKVTESA-N 2 0 329.448 1.204 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905050564 592380976 /nfs/dbraw/zinc/38/09/76/592380976.db2.gz PKTUJONNWWAYLJ-SFHVURJKSA-N 2 0 336.476 1.519 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903935452 592385907 /nfs/dbraw/zinc/38/59/07/592385907.db2.gz PSAADOVEUUZYSI-KRWDZBQOSA-N 2 0 333.524 1.796 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H](O)C2(O)CCCC2)c2ccccc2)CC1 ZINC000905090463 592393509 /nfs/dbraw/zinc/39/35/09/592393509.db2.gz VSIIGZCWMQUKHE-OALUTQOASA-N 2 0 347.503 1.231 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)N1CCN(C[C@]2(C)CCC[NH2+]C2)CC1 ZINC000904316751 592475075 /nfs/dbraw/zinc/47/50/75/592475075.db2.gz RQVNQWGHAMEPHJ-VQIMIIECSA-N 2 0 336.524 1.441 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905240870 592484822 /nfs/dbraw/zinc/48/48/22/592484822.db2.gz AVWGVANQUHCOOG-GBESFXJTSA-N 2 0 334.460 1.001 20 0 EDADRP CC(C)(C(=O)N1CCN(CC[NH+]2CCCC2)CC1)[NH+]1CCCCC1 ZINC000905436172 592534196 /nfs/dbraw/zinc/53/41/96/592534196.db2.gz LRSCGWWBDXXSNZ-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285860 592584494 /nfs/dbraw/zinc/58/44/94/592584494.db2.gz OUGICXJNDSAHFZ-JKSUJKDBSA-N 2 0 347.507 1.828 20 0 EDADRP c1nc2c(c(N3C[C@H]4CC[C@@H](C3)[N@@H+]4C3CC[NH2+]CC3)n1)CCCC2 ZINC000905701434 592615013 /nfs/dbraw/zinc/61/50/13/592615013.db2.gz ZTGMNJRXXZBMCG-IYBDPMFKSA-N 2 0 327.476 1.760 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000907456716 592665171 /nfs/dbraw/zinc/66/51/71/592665171.db2.gz OGJMGJSGGDQTPI-IRXDYDNUSA-N 2 0 336.524 1.536 20 0 EDADRP CC[C@](O)(C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(F)(F)F ZINC000905934187 592687907 /nfs/dbraw/zinc/68/79/07/592687907.db2.gz RKQMKGBIIUEFKC-JSGCOSHPSA-N 2 0 326.403 1.714 20 0 EDADRP CC(C)CN1CCO[C@@H](C[NH2+]C[C@@H](O)CC2(CO)CCCC2)C1 ZINC000905937864 592689335 /nfs/dbraw/zinc/68/93/35/592689335.db2.gz NMFSSRMRDBSRRJ-IRXDYDNUSA-N 2 0 328.497 1.237 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)[NH+](C)C ZINC000907634765 592735241 /nfs/dbraw/zinc/73/52/41/592735241.db2.gz JLNNNLXTACFFBI-JHDROBOHSA-N 2 0 333.476 1.558 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000907755364 592778994 /nfs/dbraw/zinc/77/89/94/592778994.db2.gz IGUBUOXYTPEWCS-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP Cc1nc2cc(NC(=O)C3CC[NH+](C)CC3)ccc2n1C(CO)CO ZINC000909294437 592792574 /nfs/dbraw/zinc/79/25/74/592792574.db2.gz QNBJTABOGPUFGP-UHFFFAOYSA-N 2 0 346.431 1.151 20 0 EDADRP Cc1nccn1[C@@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939706 592919554 /nfs/dbraw/zinc/91/95/54/592919554.db2.gz LEOJZRTVTLCZGA-MRXNPFEDSA-N 2 0 348.472 1.719 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911751127 592997476 /nfs/dbraw/zinc/99/74/76/592997476.db2.gz IXIQZYFKCMKUDN-KFWWJZLASA-N 2 0 345.443 1.780 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)C1=CCC[NH2+]CC1 ZINC000911752577 592997480 /nfs/dbraw/zinc/99/74/80/592997480.db2.gz WOBSOMUTFCYTNY-HNNXBMFYSA-N 2 0 343.427 1.844 20 0 EDADRP COc1cccc2c1CC[C@@]2([NH3+])C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911817306 593022584 /nfs/dbraw/zinc/02/25/84/593022584.db2.gz GZCTUJPOILCXBV-LPHOPBHVSA-N 2 0 331.460 1.819 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@@]2([NH3+])CCc3c2cccc3OC)CC1 ZINC000911862462 593023744 /nfs/dbraw/zinc/02/37/44/593023744.db2.gz XHDWFIAFVWTUPO-LJQANCHMSA-N 2 0 331.460 1.644 20 0 EDADRP CC[C@@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000911892342 593032107 /nfs/dbraw/zinc/03/21/07/593032107.db2.gz KBMASEZRIVDDJA-IPMKNSEASA-N 2 0 345.487 1.829 20 0 EDADRP COc1ccccc1CN(Cc1cccs1)C(=O)CNCC[NH3+] ZINC000912039332 593051339 /nfs/dbraw/zinc/05/13/39/593051339.db2.gz BYCMANJJSRWGRR-UHFFFAOYSA-N 2 0 333.457 1.834 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21)C(C)C ZINC000807676139 593189809 /nfs/dbraw/zinc/18/98/09/593189809.db2.gz LOASUSDCGJCFAB-KRWDZBQOSA-N 2 0 346.475 1.136 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838901811 593237537 /nfs/dbraw/zinc/23/75/37/593237537.db2.gz VIRNKGWMESRWFF-GOSISDBHSA-N 2 0 337.508 1.462 20 0 EDADRP Cn1cnc(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000808378339 593256185 /nfs/dbraw/zinc/25/61/85/593256185.db2.gz LICFTAJHPKKITE-LJQANCHMSA-N 2 0 327.476 1.889 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030748 593394849 /nfs/dbraw/zinc/39/48/49/593394849.db2.gz MNCWDXWMCOUHFD-UWGWQUPMSA-N 2 0 345.487 1.781 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000811874401 593485035 /nfs/dbraw/zinc/48/50/35/593485035.db2.gz CVRSBLGYCHMJAX-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817902654 593647253 /nfs/dbraw/zinc/64/72/53/593647253.db2.gz WIKFUEVJGSSXBB-ZYHUDNBSSA-N 2 0 343.415 1.408 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2COC3(CCCC3)O2)CC[NH2+]CC1 ZINC000817918851 593648401 /nfs/dbraw/zinc/64/84/01/593648401.db2.gz NVHNHMVGYKMICP-LSDHHAIUSA-N 2 0 340.464 1.583 20 0 EDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)[C@@H]1COCC12OCCO2 ZINC000817935898 593650353 /nfs/dbraw/zinc/65/03/53/593650353.db2.gz OUJITZLZJHREAO-VQHPVUNQSA-N 2 0 338.492 1.912 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2ccc(N3CCNC3=O)cc2)CC[NH2+]CC1 ZINC000817974037 593652928 /nfs/dbraw/zinc/65/29/28/593652928.db2.gz IGTHDLMVBIBJFC-OAHLLOKOSA-N 2 0 346.475 1.883 20 0 EDADRP Cc1cc(C)cc([C@H](O)C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000818997525 593732965 /nfs/dbraw/zinc/73/29/65/593732965.db2.gz CWCFOMOYOXVMTI-RTBURBONSA-N 2 0 347.503 1.869 20 0 EDADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000818997867 593733016 /nfs/dbraw/zinc/73/30/16/593733016.db2.gz MUAUQLAKEIQZMH-SJORKVTESA-N 2 0 337.439 1.391 20 0 EDADRP C[N@H+](CCCOc1cccc(-c2nn[nH]n2)c1)C[C@H]1CCC[NH+](C)C1 ZINC000821600183 593875267 /nfs/dbraw/zinc/87/52/67/593875267.db2.gz BCNMSBVZGYPGAL-HNNXBMFYSA-N 2 0 344.463 1.909 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC000821621916 593883667 /nfs/dbraw/zinc/88/36/67/593883667.db2.gz LCWMSPPABGCTLP-GFCCVEGCSA-N 2 0 347.492 1.186 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000820810400 593894743 /nfs/dbraw/zinc/89/47/43/593894743.db2.gz WGPOEQBTYQGDHL-WSTZPKSXSA-N 2 0 330.520 1.875 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000822192067 594006118 /nfs/dbraw/zinc/00/61/18/594006118.db2.gz YAVPQJXFZJDGJK-KBPBESRZSA-N 2 0 327.436 1.799 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)CN1CC[NH+](C)CC1 ZINC000824429456 594009668 /nfs/dbraw/zinc/00/96/68/594009668.db2.gz XHPYALXESMISGR-GJZGRUSLSA-N 2 0 343.479 1.401 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(-c2nn[nH]n2)c1)CN1CC[NH+](C)CC1 ZINC000824429455 594009674 /nfs/dbraw/zinc/00/96/74/594009674.db2.gz XHPYALXESMISGR-CABCVRRESA-N 2 0 343.479 1.401 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824568974 594039859 /nfs/dbraw/zinc/03/98/59/594039859.db2.gz FGAVXJDWAGCLIU-UONOGXRCSA-N 2 0 329.452 1.153 20 0 EDADRP COC[C@]1(c2nc(-c3cccc(OCC[NH+](C)C)c3)no2)CC[NH2+]C1 ZINC000822802773 594103133 /nfs/dbraw/zinc/10/31/33/594103133.db2.gz BCEVVHHYDQFRKD-SFHVURJKSA-N 2 0 346.431 1.555 20 0 EDADRP C[C@@H](c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1)[C@H](C)[NH3+] ZINC000822951288 594127395 /nfs/dbraw/zinc/12/73/95/594127395.db2.gz PEGUPHPKTQCRHA-OLZOCXBDSA-N 2 0 330.436 1.724 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C)nc1Cl ZINC000822952542 594127764 /nfs/dbraw/zinc/12/77/64/594127764.db2.gz SZZHDRBITSZSMT-ZDUSSCGKSA-N 2 0 341.887 1.562 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@@H]4CC[NH2+][C@@H]4C)n3)cn2)CC1 ZINC000822956669 594128366 /nfs/dbraw/zinc/12/83/66/594128366.db2.gz NASLTYUJADBAFI-UKRRQHHQSA-N 2 0 342.447 1.739 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(CCCCC[NH3+])n3)c2)CC1 ZINC000822980912 594131651 /nfs/dbraw/zinc/13/16/51/594131651.db2.gz QVWWJYCEEVQCEL-UHFFFAOYSA-N 2 0 330.436 1.555 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000825760992 594240234 /nfs/dbraw/zinc/24/02/34/594240234.db2.gz GHAXTOGWMWHHMI-VVLHAWIVSA-N 2 0 338.496 1.364 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)CCCC[NH+]1CCCC1 ZINC000829280201 594591816 /nfs/dbraw/zinc/59/18/16/594591816.db2.gz FBCCVRUHNIEMAE-UHFFFAOYSA-N 2 0 337.508 1.823 20 0 EDADRP C[C@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@H]1[NH+]1CCN(C)CC1 ZINC000831267931 594595559 /nfs/dbraw/zinc/59/55/59/594595559.db2.gz SANYYYZRAGNHAQ-DLBZAZTESA-N 2 0 339.528 1.173 20 0 EDADRP Cc1c(C(=O)Nc2cccc(OCC[NH3+])c2)nnn1C1CC[NH2+]CC1 ZINC000832606665 594763439 /nfs/dbraw/zinc/76/34/39/594763439.db2.gz MQGQLFZBCVCXSN-UHFFFAOYSA-N 2 0 344.419 1.101 20 0 EDADRP CCC[NH2+]CCNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000841018056 594839631 /nfs/dbraw/zinc/83/96/31/594839631.db2.gz OVKBLVVPYONGHG-UHFFFAOYSA-N 2 0 333.480 1.950 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000841385524 594891185 /nfs/dbraw/zinc/89/11/85/594891185.db2.gz CZQNWIXCOJUJBX-FGTMMUONSA-N 2 0 331.460 1.659 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000841833482 594959555 /nfs/dbraw/zinc/95/95/55/594959555.db2.gz ZQOFLCHCFUYOBL-FGTMMUONSA-N 2 0 328.460 1.607 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841846747 594964228 /nfs/dbraw/zinc/96/42/28/594964228.db2.gz MVDLNTXOELCBHB-MAZHCROVSA-N 2 0 331.416 1.532 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCO1 ZINC000841849599 594965178 /nfs/dbraw/zinc/96/51/78/594965178.db2.gz CCYAUQNCOTWDBA-INIZCTEOSA-N 2 0 326.485 1.402 20 0 EDADRP C[C@@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000841899677 594977563 /nfs/dbraw/zinc/97/75/63/594977563.db2.gz XRUNDHCDFUJPSG-HBFSDRIKSA-N 2 0 342.487 1.902 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841944172 594986944 /nfs/dbraw/zinc/98/69/44/594986944.db2.gz BLVPAPVYMNOWMQ-IEBWSBKVSA-N 2 0 346.475 1.017 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000842266502 595060106 /nfs/dbraw/zinc/06/01/06/595060106.db2.gz AOGVWXBHOYMKCN-QGZVFWFLSA-N 2 0 348.491 1.340 20 0 EDADRP CC(C)CNC(=O)c1ccccc1NC(=O)CN1CCC[C@@H](C[NH3+])C1 ZINC000843348104 595082356 /nfs/dbraw/zinc/08/23/56/595082356.db2.gz VZQKZPWFIQDNAU-HNNXBMFYSA-N 2 0 346.475 1.682 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355405 595085408 /nfs/dbraw/zinc/08/54/08/595085408.db2.gz NDXRNZFYMWPWJN-RDHHWEPZSA-N 2 0 325.497 1.900 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000843358779 595087257 /nfs/dbraw/zinc/08/72/57/595087257.db2.gz MWWXAEHEXCDXLZ-UFYCRDLUSA-N 2 0 348.487 1.577 20 0 EDADRP Cc1ccc(N2CCC[C@@H]([N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2=O)cc1 ZINC000842474784 595114063 /nfs/dbraw/zinc/11/40/63/595114063.db2.gz DFEHXEKNGKUHRR-RBUKOAKNSA-N 2 0 342.487 1.470 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NCCCCCC[NH3+] ZINC000843041015 595271608 /nfs/dbraw/zinc/27/16/08/595271608.db2.gz RORHNWOWGNTQCT-UHFFFAOYSA-N 2 0 335.452 1.488 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000105439952 595282730 /nfs/dbraw/zinc/28/27/30/595282730.db2.gz FEEXQVDNWJAIBP-AWEZNQCLSA-N 2 0 331.464 1.951 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844180073 595294140 /nfs/dbraw/zinc/29/41/40/595294140.db2.gz SKRMLJZAODLALY-MRXNPFEDSA-N 2 0 346.475 1.900 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000846665673 595295845 /nfs/dbraw/zinc/29/58/45/595295845.db2.gz JBUHITIPUVZBIY-AWEZNQCLSA-N 2 0 345.443 1.924 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000846674126 595298733 /nfs/dbraw/zinc/29/87/33/595298733.db2.gz HTHYQKMSQWLYIQ-ZWKOTPCHSA-N 2 0 328.460 1.908 20 0 EDADRP COc1cc(-c2noc(CC[NH2+]C3CC3)n2)ccc1OCC[NH+](C)C ZINC000848625815 595418894 /nfs/dbraw/zinc/41/88/94/595418894.db2.gz YJQIEAUCGJAYDQ-UHFFFAOYSA-N 2 0 346.431 1.980 20 0 EDADRP COc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849072898 595478332 /nfs/dbraw/zinc/47/83/32/595478332.db2.gz PLSCOLLGVCDEQE-CYBMUJFWSA-N 2 0 333.436 1.219 20 0 EDADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)OCCCO2 ZINC000849073767 595478390 /nfs/dbraw/zinc/47/83/90/595478390.db2.gz BQVUUAOJHKFGCX-LSDHHAIUSA-N 2 0 346.431 1.647 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000849110382 595483329 /nfs/dbraw/zinc/48/33/29/595483329.db2.gz HMLCBFZEMWALSO-HNNXBMFYSA-N 2 0 345.495 1.243 20 0 EDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852763825 595532322 /nfs/dbraw/zinc/53/23/22/595532322.db2.gz ZLUUEVSYYNWHPW-MRXNPFEDSA-N 3 0 334.512 1.518 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@@H]4CO3)cc21 ZINC000852797741 595547687 /nfs/dbraw/zinc/54/76/87/595547687.db2.gz AKIDEEHYAOTLCZ-KSZLIROESA-N 2 0 343.471 1.658 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497905 595551716 /nfs/dbraw/zinc/55/17/16/595551716.db2.gz PLHVNFBMSLJDOJ-DLBZAZTESA-N 2 0 335.496 1.302 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849540371 595559371 /nfs/dbraw/zinc/55/93/71/595559371.db2.gz FIGCIYOEPXEPNE-QZTJIDSGSA-N 2 0 349.523 1.692 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849555645 595566140 /nfs/dbraw/zinc/56/61/40/595566140.db2.gz XTQXPYOJBIFYBF-KURKYZTESA-N 2 0 347.507 1.398 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849555646 595566564 /nfs/dbraw/zinc/56/65/64/595566564.db2.gz XTQXPYOJBIFYBF-KZNAEPCWSA-N 2 0 347.507 1.398 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000852855319 595576704 /nfs/dbraw/zinc/57/67/04/595576704.db2.gz IDIVLFUZEMIHMA-NVXWUHKLSA-N 2 0 346.431 1.052 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852858961 595581083 /nfs/dbraw/zinc/58/10/83/595581083.db2.gz NGDMVFMKEJUROX-HNNXBMFYSA-N 2 0 348.447 1.127 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849583033 595581718 /nfs/dbraw/zinc/58/17/18/595581718.db2.gz QYCQEFXQZVSQRB-IRXDYDNUSA-N 2 0 347.507 1.398 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000852861743 595583274 /nfs/dbraw/zinc/58/32/74/595583274.db2.gz IIKAZBGLCZKIDS-HOTGVXAUSA-N 2 0 330.432 1.118 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849598328 595587423 /nfs/dbraw/zinc/58/74/23/595587423.db2.gz ZNZUFWPIYAXFAQ-JQHSSLGASA-N 2 0 349.523 1.692 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)c(C)c2)CC1 ZINC000852872091 595591611 /nfs/dbraw/zinc/59/16/11/595591611.db2.gz HVRLCVKJAZQWQG-OAHLLOKOSA-N 2 0 345.447 1.179 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852875244 595592611 /nfs/dbraw/zinc/59/26/11/595592611.db2.gz HMKVSHKXGNNJQK-CYBMUJFWSA-N 2 0 331.342 1.288 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852879615 595595022 /nfs/dbraw/zinc/59/50/22/595595022.db2.gz GBLQZFBDEYEPQD-DZGCQCFKSA-N 2 0 327.350 1.532 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852887124 595599577 /nfs/dbraw/zinc/59/95/77/595599577.db2.gz GCGXSLYLSHMNPT-IBGZPJMESA-N 2 0 343.471 1.704 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1(C)C ZINC000858178598 595721787 /nfs/dbraw/zinc/72/17/87/595721787.db2.gz YVOQDKPHYUKEHK-LSDHHAIUSA-N 2 0 326.481 1.865 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000858546913 595824122 /nfs/dbraw/zinc/82/41/22/595824122.db2.gz BCOJLOWVPPNZDW-HZSPNIEDSA-N 2 0 334.407 1.400 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851665979 595876157 /nfs/dbraw/zinc/87/61/57/595876157.db2.gz CPMYDOARYUXACJ-CQSZACIVSA-N 2 0 330.423 1.405 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851730808 595900419 /nfs/dbraw/zinc/90/04/19/595900419.db2.gz GTIDGQAAPNUKAT-FQEVSTJZSA-N 2 0 347.503 1.803 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CCn2cnc(Br)n2)CC1 ZINC000851735026 595901350 /nfs/dbraw/zinc/90/13/50/595901350.db2.gz ZZVDOVOCDFJPOX-UHFFFAOYSA-N 2 0 330.274 1.704 20 0 EDADRP CO[C@@H]1CC[C@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000851779922 595920285 /nfs/dbraw/zinc/92/02/85/595920285.db2.gz SOXFLFGJMZKAEQ-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000861539659 596020353 /nfs/dbraw/zinc/02/03/53/596020353.db2.gz OYVCLIBJGVWUFG-OAHLLOKOSA-N 2 0 346.475 1.663 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCNC3=O)C2)ccn1 ZINC000856585134 596023538 /nfs/dbraw/zinc/02/35/38/596023538.db2.gz ZSIOBSTWMICKOP-CRAIPNDOSA-N 2 0 346.475 1.513 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCN3CCCC3=O)C2)ccn1 ZINC000856591592 596024427 /nfs/dbraw/zinc/02/44/27/596024427.db2.gz OHGKXVFYVYIPGM-GOSISDBHSA-N 2 0 346.475 1.609 20 0 EDADRP COC(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856597504 596028101 /nfs/dbraw/zinc/02/81/01/596028101.db2.gz INIXQUWZYFEJQK-QGZVFWFLSA-N 2 0 335.448 1.938 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)C[NH+](C)C(C)C)C2)ccn1 ZINC000856638633 596041534 /nfs/dbraw/zinc/04/15/34/596041534.db2.gz XJSKWCOTKKONDE-GOSISDBHSA-N 2 0 348.491 1.853 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000861619776 596049521 /nfs/dbraw/zinc/04/95/21/596049521.db2.gz NHFCPWPVZDONDP-DOPJRALCSA-N 2 0 346.475 1.962 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000861757389 596091316 /nfs/dbraw/zinc/09/13/16/596091316.db2.gz RSYJMYXVEXCMQO-RDJZCZTQSA-N 2 0 346.475 1.135 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C ZINC000864610285 596281630 /nfs/dbraw/zinc/28/16/30/596281630.db2.gz MSNSPQNBNFJCKT-KGLIPLIRSA-N 2 0 342.484 1.042 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)Cc2cccnc21 ZINC000868763059 596298387 /nfs/dbraw/zinc/29/83/87/596298387.db2.gz BSGYNLYPUTYLJU-OAHLLOKOSA-N 2 0 331.464 1.916 20 0 EDADRP Cc1cccc(OCC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866709528 596303485 /nfs/dbraw/zinc/30/34/85/596303485.db2.gz RWBYHBCEDUHDAW-UAGQMJEPSA-N 2 0 331.416 1.241 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000866712824 596305643 /nfs/dbraw/zinc/30/56/43/596305643.db2.gz YKCYLAFKWUQHBT-OGWHTMIXSA-N 2 0 341.455 1.973 20 0 EDADRP O=C(CC[NH2+]CC1CC1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000870864848 596381764 /nfs/dbraw/zinc/38/17/64/596381764.db2.gz NDIXKTVJKCOAKM-UHFFFAOYSA-N 2 0 344.503 1.705 20 0 EDADRP CC(C)(C)[NH2+]CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870891476 596391993 /nfs/dbraw/zinc/39/19/93/596391993.db2.gz BWTTVVYPZRWGKZ-LBPRGKRZSA-N 2 0 328.254 1.953 20 0 EDADRP C[NH+](C)C1(CNC(=O)CCC23CC(C2)C[NH2+]3)Cc2ccccc2C1 ZINC000870892426 596392367 /nfs/dbraw/zinc/39/23/67/596392367.db2.gz JRIURJVWKDUXLI-UHFFFAOYSA-N 2 0 327.472 1.734 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1)c1cccc(Br)c1 ZINC000870913880 596401359 /nfs/dbraw/zinc/40/13/59/596401359.db2.gz HDWLZMVXOPZTLY-BNOWGMLFSA-N 2 0 338.249 1.659 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1C[C@@H](C)O[C@@H](C)C1 ZINC000870976049 596423601 /nfs/dbraw/zinc/42/36/01/596423601.db2.gz NPAPSQAPLVDDKO-UCIFAOBLSA-N 2 0 337.508 1.767 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000871279876 596519931 /nfs/dbraw/zinc/51/99/31/596519931.db2.gz BXWCYPMWJCMFSY-BHIYHBOVSA-N 2 0 345.487 1.652 20 0 EDADRP C[C@H](C[NH2+]Cc1cccnc1Br)N1CC[NH+](C)CC1 ZINC000865450842 596579152 /nfs/dbraw/zinc/57/91/52/596579152.db2.gz VSSGPIVAVKKEGR-GFCCVEGCSA-N 2 0 327.270 1.570 20 0 EDADRP COCC[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000865456660 596581118 /nfs/dbraw/zinc/58/11/18/596581118.db2.gz PKEDVESJYNYXGX-CABCVRRESA-N 2 0 329.485 1.848 20 0 EDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000867987270 596645582 /nfs/dbraw/zinc/64/55/82/596645582.db2.gz JBBDDCFXENKPDI-BLLLJJGKSA-N 2 0 340.431 1.641 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2cccc(O)c2)C[C@H]1C[NH+](C)C ZINC000870016878 596708890 /nfs/dbraw/zinc/70/88/90/596708890.db2.gz DNLCTHRQJQBLNT-ZAWLATJESA-N 2 0 345.487 1.694 20 0 EDADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc(Cl)n1 ZINC000870019551 596710661 /nfs/dbraw/zinc/71/06/61/596710661.db2.gz ILOXMGQYFRISFC-HUUCEWRRSA-N 2 0 338.883 1.855 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2[nH]nc3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000870019300 596710921 /nfs/dbraw/zinc/71/09/21/596710921.db2.gz CTYRWQLLYZRSQP-HUUCEWRRSA-N 2 0 347.507 1.029 20 0 EDADRP CC(C)CCSCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023221 596713177 /nfs/dbraw/zinc/71/31/77/596713177.db2.gz OLGYETYINPYNKA-HZPDHXFCSA-N 2 0 329.554 1.964 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868182559 596714230 /nfs/dbraw/zinc/71/42/30/596714230.db2.gz SWBKROUNUCVVIP-DLBZAZTESA-N 3 0 333.480 1.458 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868225282 596734671 /nfs/dbraw/zinc/73/46/71/596734671.db2.gz QBIVZYHHXASDJM-RRQGHBQHSA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868231850 596737244 /nfs/dbraw/zinc/73/72/44/596737244.db2.gz JUXIUQRXMSATJH-IXDOHACOSA-N 2 0 344.459 1.382 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nc3ccccc3c(=O)[nH]2)C[C@H]1C[NH+](C)C ZINC000866012284 596757526 /nfs/dbraw/zinc/75/75/26/596757526.db2.gz WZPHCWVBDBIGAO-ZIAGYGMSSA-N 2 0 329.448 1.511 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000872257786 596857218 /nfs/dbraw/zinc/85/72/18/596857218.db2.gz WZMPRGKLDYLICK-RTXFEEFZSA-N 2 0 327.837 1.768 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)cn1 ZINC000866345063 596862722 /nfs/dbraw/zinc/86/27/22/596862722.db2.gz FXJVEJXMWWOFIM-UHFFFAOYSA-N 2 0 333.411 1.898 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)c2nccn21 ZINC000875646470 596932107 /nfs/dbraw/zinc/93/21/07/596932107.db2.gz VIJRBSSBWVSKGD-GJZGRUSLSA-N 2 0 347.463 1.643 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[NH+]1CCCC1 ZINC000874246517 596984733 /nfs/dbraw/zinc/98/47/33/596984733.db2.gz NYVJYJAVNFEHQM-UHFFFAOYSA-N 2 0 325.403 1.951 20 0 EDADRP COC(=O)[C@]12CCC[C@H]1[N@H+](CN1C[C@@H](c3cncn3C)CC1=O)CC2 ZINC000872827940 597088773 /nfs/dbraw/zinc/08/87/73/597088773.db2.gz PFDWDQHFLIPFSO-JOQOYGCGSA-N 2 0 346.431 1.111 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000874830033 597188639 /nfs/dbraw/zinc/18/86/39/597188639.db2.gz PYXOXLHVOQZFAI-YESZJQIVSA-N 2 0 337.533 1.899 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1)N1CC[NH2+]CC1 ZINC000873200825 597224897 /nfs/dbraw/zinc/22/48/97/597224897.db2.gz HENUMBXGAQJXQQ-AWEZNQCLSA-N 3 0 348.516 1.038 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876518888 597228125 /nfs/dbraw/zinc/22/81/25/597228125.db2.gz LODHTSQYAQOGCL-HZPDHXFCSA-N 2 0 345.443 1.907 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cccc(OCC[NH3+])c2)c1 ZINC000876523053 597230002 /nfs/dbraw/zinc/23/00/02/597230002.db2.gz JUQGEJBZAWYJJH-KRWDZBQOSA-N 2 0 329.400 1.541 20 0 EDADRP CC(=O)Nc1cccc2c1C[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873217942 597230509 /nfs/dbraw/zinc/23/05/09/597230509.db2.gz VKMNUJUAQYBYCJ-HNNXBMFYSA-N 2 0 344.459 1.200 20 0 EDADRP C[C@H](Cc1ccco1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875080750 597273876 /nfs/dbraw/zinc/27/38/76/597273876.db2.gz CWFAAWANGCDDAZ-BZUAXINKSA-N 2 0 336.480 1.591 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC1 ZINC000876717940 597303239 /nfs/dbraw/zinc/30/32/39/597303239.db2.gz IXXLFGNJWJTRPF-WMZOPIPTSA-N 2 0 333.451 1.977 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H](N)C[NH+](C)C)[NH+]1CCCCC1 ZINC000876721125 597305230 /nfs/dbraw/zinc/30/52/30/597305230.db2.gz GNHQLEIEPSSVIA-IRXDYDNUSA-N 2 0 348.491 1.227 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876735898 597312862 /nfs/dbraw/zinc/31/28/62/597312862.db2.gz RJPNRAGEYQIBSH-OKZBNKHCSA-N 2 0 333.451 1.962 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000876755652 597323762 /nfs/dbraw/zinc/32/37/62/597323762.db2.gz WFFIPRMRVQXIEE-CVEARBPZSA-N 2 0 331.464 1.330 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)[C@@H](C)C1 ZINC000876763229 597328840 /nfs/dbraw/zinc/32/88/40/597328840.db2.gz DHSAFWBOIFTUFJ-FQUUOJAGSA-N 2 0 333.423 1.080 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc2O1 ZINC000876779064 597338089 /nfs/dbraw/zinc/33/80/89/597338089.db2.gz VJQBHTYQAVQBNM-BJZITVGISA-N 2 0 329.444 1.874 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000876800717 597344023 /nfs/dbraw/zinc/34/40/23/597344023.db2.gz UOZPWXPHRJJZNK-ZJIFWQFVSA-N 2 0 331.464 1.315 20 0 EDADRP C[C@@H](C[C@@H]1CCOC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875377023 597406403 /nfs/dbraw/zinc/40/64/03/597406403.db2.gz MRKUITHCMPCDPB-MWDXBVQZSA-N 2 0 340.512 1.182 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)CCC23CC(C2)C[NH2+]3)cc1 ZINC000877009680 597410361 /nfs/dbraw/zinc/41/03/61/597410361.db2.gz WEWKWAHYQZISBP-UHFFFAOYSA-N 2 0 344.459 1.449 20 0 EDADRP COc1c(C)cnc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000877027474 597416148 /nfs/dbraw/zinc/41/61/48/597416148.db2.gz OIRZYFISSSKFFQ-INIZCTEOSA-N 2 0 332.492 1.965 20 0 EDADRP COc1cc(C[C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)ccn1 ZINC000877089255 597429144 /nfs/dbraw/zinc/42/91/44/597429144.db2.gz LREGVBAEIXQOJQ-JCGIZDLHSA-N 2 0 333.476 1.989 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000877133115 597439700 /nfs/dbraw/zinc/43/97/00/597439700.db2.gz XGFXUMMCXJXSKL-SJLPKXTDSA-N 2 0 339.524 1.829 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877133466 597439754 /nfs/dbraw/zinc/43/97/54/597439754.db2.gz BUKZOBYSAOMMSX-LAVFITLUSA-N 2 0 333.451 1.818 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCC(C)(C)O2)C[C@H]1C[NH+](C)C ZINC000875513393 597460737 /nfs/dbraw/zinc/46/07/37/597460737.db2.gz XNQVPXIDNDSKJR-OAGGEKHMSA-N 2 0 340.512 1.325 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)NCC1([NH+](C)C)CCC1 ZINC000875521225 597463200 /nfs/dbraw/zinc/46/32/00/597463200.db2.gz YTKXCDVXVAZPRG-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@H]2CCO[C@@H]2C[NH3+])(c2ccccc2)CC1 ZINC000877224902 597466668 /nfs/dbraw/zinc/46/66/68/597466668.db2.gz PAQIBJCKTAOYFY-DLBZAZTESA-N 2 0 331.460 1.130 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000877231751 597470538 /nfs/dbraw/zinc/47/05/38/597470538.db2.gz SIQUVRFXVUMSRX-MJGOQNOKSA-N 2 0 345.487 1.702 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@H]43)c2)CC1 ZINC000877282430 597486234 /nfs/dbraw/zinc/48/62/34/597486234.db2.gz LTZJKZXTSQGSPE-RTBURBONSA-N 2 0 342.487 1.401 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CC2(Cl)Cl)(N2CCOCC2)CC1 ZINC000877586980 597539150 /nfs/dbraw/zinc/53/91/50/597539150.db2.gz AJOJPLOAXQAADL-CYBMUJFWSA-N 2 0 336.307 1.566 20 0 EDADRP Cn1nnc2cc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc21 ZINC000877669310 597546393 /nfs/dbraw/zinc/54/63/93/597546393.db2.gz CTRPYMNQMZKGPR-HZPDHXFCSA-N 2 0 330.480 1.140 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3CN(c4ccccc4)C[C@H]3C2)CC1 ZINC000877980833 597567682 /nfs/dbraw/zinc/56/76/82/597567682.db2.gz KAKHCBSZNKQRGB-CALCHBBNSA-N 2 0 342.487 1.265 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000878426363 597601080 /nfs/dbraw/zinc/60/10/80/597601080.db2.gz ZJWOZWLLNOSIRX-BIENJYKASA-N 2 0 331.460 1.740 20 0 EDADRP Cn1nc2c(c1C[NH2+][C@@H]1CCN(C3CC[NH+](C)CC3)C1)CSCC2 ZINC000882994029 597610867 /nfs/dbraw/zinc/61/08/67/597610867.db2.gz QDGGBDXCVCYEAD-CQSZACIVSA-N 2 0 349.548 1.468 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000883055810 597634089 /nfs/dbraw/zinc/63/40/89/597634089.db2.gz TYPJZYFWDPAYEE-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062052 597636736 /nfs/dbraw/zinc/63/67/36/597636736.db2.gz PJJBAWPIAPGQQT-WBVHZDCISA-N 2 0 334.464 1.691 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883135983 597663234 /nfs/dbraw/zinc/66/32/34/597663234.db2.gz RLIMHRGIPDZJLR-CVEARBPZSA-N 2 0 343.475 1.786 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702506 597694409 /nfs/dbraw/zinc/69/44/09/597694409.db2.gz NLUVTNCPRDBARM-CQSZACIVSA-N 2 0 326.485 1.520 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CCC3(CCC3)O2)C1)[C@@H]1CCC[NH2+]1 ZINC000883424605 597741973 /nfs/dbraw/zinc/74/19/73/597741973.db2.gz XQJVZZYSWRQNPK-ULQDDVLXSA-N 2 0 335.492 1.668 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@]3(CCc4ccccc43)C2)CC1 ZINC000879997687 597803446 /nfs/dbraw/zinc/80/34/46/597803446.db2.gz RDGMYIUWQSCMAX-HXUWFJFHSA-N 2 0 327.472 1.787 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000880258864 597885556 /nfs/dbraw/zinc/88/55/56/597885556.db2.gz DKPFDIOGLMANFR-GFCCVEGCSA-N 2 0 330.354 1.661 20 0 EDADRP CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000879334956 597890264 /nfs/dbraw/zinc/89/02/64/597890264.db2.gz NSISMXJJCVQTBX-KRWDZBQOSA-N 2 0 339.528 1.186 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)C1 ZINC000883779181 597897935 /nfs/dbraw/zinc/89/79/35/597897935.db2.gz QVAQOSDQVXWCFP-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+]2Cc3ccccc3N3CCC[C@H]3C2)CC1 ZINC000880554478 597961720 /nfs/dbraw/zinc/96/17/20/597961720.db2.gz BWXUXKMDEWICEH-SFHVURJKSA-N 2 0 342.487 1.681 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CCC([NH3+])CC1)c1ccc(Br)cc1 ZINC000884019312 597969513 /nfs/dbraw/zinc/96/95/13/597969513.db2.gz QBUJAUHYGVCELJ-WXRRBKDZSA-N 2 0 326.238 1.835 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000884022634 597970576 /nfs/dbraw/zinc/97/05/76/597970576.db2.gz MNYSDFMSLGXFRW-INIZCTEOSA-N 2 0 331.416 1.661 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(OCC[NH2+]C)c1 ZINC000884231895 598038283 /nfs/dbraw/zinc/03/82/83/598038283.db2.gz CZHWHLYJTHQWHP-SJORKVTESA-N 2 0 331.460 1.984 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884254879 598044828 /nfs/dbraw/zinc/04/48/28/598044828.db2.gz UJGWKRCFTJXXHQ-ICCXJUOJSA-N 2 0 326.238 1.563 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884401192 598093774 /nfs/dbraw/zinc/09/37/74/598093774.db2.gz HJDDYUSAQPEQBM-DLBZAZTESA-N 2 0 331.460 1.115 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000884438566 598105160 /nfs/dbraw/zinc/10/51/60/598105160.db2.gz DXFIXMBXDUYVIS-STQMWFEESA-N 2 0 334.247 1.686 20 0 EDADRP CC[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2CC)ncc1OC ZINC000882960927 598117620 /nfs/dbraw/zinc/11/76/20/598117620.db2.gz ZJFGRTZWQORAAR-KGLIPLIRSA-N 2 0 334.468 1.497 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914068298 695057916 /nfs/dbraw/zinc/05/79/16/695057916.db2.gz JSZDHRJMVXOTDZ-RBSFLKMASA-N 2 0 328.526 1.596 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914081388 695078661 /nfs/dbraw/zinc/07/86/61/695078661.db2.gz VPMCAZJILFTWPO-BZUAXINKSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)[NH+]1CCc2ccccc2C1 ZINC000914190498 695266509 /nfs/dbraw/zinc/26/65/09/695266509.db2.gz SUVWCWBGJOEVPN-DAYGRLMNSA-N 2 0 330.476 1.825 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3nncs3)[C@H]2C1 ZINC000992919458 695453868 /nfs/dbraw/zinc/45/38/68/695453868.db2.gz OENQHJJHSWQXNH-SOUVJXGZSA-N 2 0 349.504 1.351 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)c1 ZINC000992925649 695457122 /nfs/dbraw/zinc/45/71/22/695457122.db2.gz LACAYHWDDGDUIX-IPMKNSEASA-N 2 0 345.487 1.571 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000915360467 695801136 /nfs/dbraw/zinc/80/11/36/695801136.db2.gz GJWFGKYPISHCRW-ZBFHGGJFSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)CCO1 ZINC001031235673 695930854 /nfs/dbraw/zinc/93/08/54/695930854.db2.gz DPGLXAXDECUWSO-DOTOQJQBSA-N 2 0 349.519 1.724 20 0 EDADRP CCO[C@H](CNC(=O)NCC[N@H+](C)C1CCCCC1)C[NH+](C)C ZINC000915649213 695960645 /nfs/dbraw/zinc/96/06/45/695960645.db2.gz VCNXWIRIJAFNBB-MRXNPFEDSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CC1CCC1 ZINC000993362326 696009189 /nfs/dbraw/zinc/00/91/89/696009189.db2.gz HLGBZVLTJVXKNK-RDJZCZTQSA-N 2 0 347.507 1.828 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@@H+]1CCO ZINC000993628545 696292041 /nfs/dbraw/zinc/29/20/41/696292041.db2.gz HSCHUBDQZQRUGK-QAPCUYQASA-N 2 0 333.476 1.366 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1CCO ZINC000993800751 696377846 /nfs/dbraw/zinc/37/78/46/696377846.db2.gz AXFTZCWGTXOOMX-QAPCUYQASA-N 2 0 333.476 1.366 20 0 EDADRP C[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000916874168 696804002 /nfs/dbraw/zinc/80/40/02/696804002.db2.gz QYNQDYUCLDSIFH-LSDHHAIUSA-N 2 0 326.510 1.207 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccccc2C[NH+](C)C)CCC[N@@H+]1CCCO ZINC000994482940 696923406 /nfs/dbraw/zinc/92/34/06/696923406.db2.gz FUSDULCCQNPWCZ-CRAIPNDOSA-N 2 0 333.476 1.713 20 0 EDADRP CCN(Cc1ccccc1C)CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000917436408 697015755 /nfs/dbraw/zinc/01/57/55/697015755.db2.gz HHYPFWAGLWUBGH-UHFFFAOYSA-N 2 0 344.459 1.791 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000918217797 697140538 /nfs/dbraw/zinc/14/05/38/697140538.db2.gz WWJOHJANUKUSBT-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCOCC1)N[C@@H]1CC[NH+](CC2CC2)C1 ZINC000919627373 697304966 /nfs/dbraw/zinc/30/49/66/697304966.db2.gz KMEDOJFEIQJINJ-NVXWUHKLSA-N 2 0 336.480 1.023 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)CC[N@@H+]1C ZINC000920406056 697426837 /nfs/dbraw/zinc/42/68/37/697426837.db2.gz XFKOSZNVBWHLOT-APIJFGDWSA-N 2 0 326.510 1.348 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000925480988 697448345 /nfs/dbraw/zinc/44/83/45/697448345.db2.gz XFGHQSUYUJFROZ-OAHLLOKOSA-N 2 0 342.447 1.191 20 0 EDADRP CC1CC(C[NH+]2CC(CNC(=O)c3cc([C@@H]4CCCN4C)n[nH]3)C2)C1 ZINC001031686717 697517494 /nfs/dbraw/zinc/51/74/94/697517494.db2.gz SKTXFWZIAHFAMS-JRSKDTKFSA-N 2 0 345.491 1.884 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031714746 697737491 /nfs/dbraw/zinc/73/74/91/697737491.db2.gz LYOATJKFLKKDED-OAHLLOKOSA-N 2 0 329.435 1.954 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031713832 697739288 /nfs/dbraw/zinc/73/92/88/697739288.db2.gz GHGSRDGQYUWWKC-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC001031715609 697741517 /nfs/dbraw/zinc/74/15/17/697741517.db2.gz XKBMEHNZGAOEJN-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337626 698156204 /nfs/dbraw/zinc/15/62/04/698156204.db2.gz YUHJYRQPVKGFOG-YJBOKZPZSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000943516312 698430457 /nfs/dbraw/zinc/43/04/57/698430457.db2.gz LIWRKCMIQVCOMN-MAUKXSAKSA-N 2 0 333.476 1.571 20 0 EDADRP CC1([NH2+]Cc2cccnc2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115784 700231090 /nfs/dbraw/zinc/23/10/90/700231090.db2.gz XIDVFFYTERJGHV-SFHVURJKSA-N 2 0 342.487 1.894 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)cn1 ZINC001031765460 699051811 /nfs/dbraw/zinc/05/18/11/699051811.db2.gz HKFUCKYSDKMIBP-ZWKOTPCHSA-N 2 0 345.491 1.028 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054102 699114371 /nfs/dbraw/zinc/11/43/71/699114371.db2.gz DXURHVNXWZBPKF-KBXCAEBGSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054105 699114587 /nfs/dbraw/zinc/11/45/87/699114587.db2.gz DXURHVNXWZBPKF-RDTXWAMCSA-N 2 0 330.476 1.668 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCO2)C1)[C@H]1CCn2ccnc2C1 ZINC001031783976 699213112 /nfs/dbraw/zinc/21/31/12/699213112.db2.gz JJDHTOYGXHNCRV-HOTGVXAUSA-N 2 0 332.448 1.063 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)C1 ZINC000941567373 701579717 /nfs/dbraw/zinc/57/97/17/701579717.db2.gz SEALGGKYIHTLFN-IRXDYDNUSA-N 2 0 336.524 1.203 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)nn1C ZINC000939396524 699546412 /nfs/dbraw/zinc/54/64/12/699546412.db2.gz JSLKIHUDZMLREJ-QAPCUYQASA-N 2 0 347.507 1.397 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCN(C3C[NH+](CC4CC4)C3)CC2)C1 ZINC000941636148 701601921 /nfs/dbraw/zinc/60/19/21/701601921.db2.gz CYVHMNOFADVQDE-ZWKOTPCHSA-N 2 0 348.535 1.345 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939544028 699685235 /nfs/dbraw/zinc/68/52/35/699685235.db2.gz HDPZOIFKTPLXTJ-DOTOQJQBSA-N 2 0 328.460 1.422 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCc1ccns1 ZINC000939550935 699700152 /nfs/dbraw/zinc/70/01/52/699700152.db2.gz QJRZATGBQHPMHX-DZGCQCFKSA-N 2 0 334.489 1.218 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939552253 699701978 /nfs/dbraw/zinc/70/19/78/699701978.db2.gz WIWJWFWBGPMJDJ-MLGOLLRUSA-N 2 0 343.431 1.694 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)C1 ZINC000941675138 701614941 /nfs/dbraw/zinc/61/49/41/701614941.db2.gz VASZCNKWZCYGOQ-UHFFFAOYSA-N 2 0 344.503 1.599 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](C(C)C)C2)CC1)[NH+]1CCCC1 ZINC000941677853 701616166 /nfs/dbraw/zinc/61/61/66/701616166.db2.gz XAUAXSQAEMXTSK-SFHVURJKSA-N 2 0 336.524 1.344 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C)cc1 ZINC000939748566 699895432 /nfs/dbraw/zinc/89/54/32/699895432.db2.gz QNQXLXMANJHYLU-KBXCAEBGSA-N 2 0 342.443 1.837 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCC4CCCC4)C3)CC2)C1 ZINC000941666350 701620673 /nfs/dbraw/zinc/62/06/73/701620673.db2.gz WLERIHIBJZTUKK-GOSISDBHSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc2nonc2c1 ZINC000939756356 699922803 /nfs/dbraw/zinc/92/28/03/699922803.db2.gz UFIHOHZVXZUHKB-GUYCJALGSA-N 2 0 343.431 1.255 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)nn1C ZINC000939809201 699957875 /nfs/dbraw/zinc/95/78/75/699957875.db2.gz IMVRGGDWAQFQCD-QAPCUYQASA-N 2 0 347.507 1.541 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939812272 699960107 /nfs/dbraw/zinc/96/01/07/699960107.db2.gz VZKBGDNNYWQMIE-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000940148677 700281637 /nfs/dbraw/zinc/28/16/37/700281637.db2.gz CMPKESKSSKFDMH-INIZCTEOSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000940179164 700312678 /nfs/dbraw/zinc/31/26/78/700312678.db2.gz RHNXPXAHAXERAL-OAHLLOKOSA-N 2 0 335.452 1.333 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940179576 700313734 /nfs/dbraw/zinc/31/37/34/700313734.db2.gz YPMQKDRCXQATHG-HNNXBMFYSA-N 2 0 331.464 1.432 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995166703 701631763 /nfs/dbraw/zinc/63/17/63/701631763.db2.gz HGEFKXDNHOFRHX-RDJZCZTQSA-N 2 0 343.475 1.255 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)C1 ZINC000940279247 700446175 /nfs/dbraw/zinc/44/61/75/700446175.db2.gz PARKTRDZWSCXIP-KRWDZBQOSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940328894 700507288 /nfs/dbraw/zinc/50/72/88/700507288.db2.gz MUEYXBRHKWFFBN-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)o1 ZINC000940329670 700509529 /nfs/dbraw/zinc/50/95/29/700509529.db2.gz WJCIJINFCNZORT-ZIAGYGMSSA-N 2 0 349.479 1.300 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000940427196 700621251 /nfs/dbraw/zinc/62/12/51/700621251.db2.gz CCJIHMBPWJDXPP-UHFFFAOYSA-N 2 0 332.448 1.550 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC000940427893 700621780 /nfs/dbraw/zinc/62/17/80/700621780.db2.gz QQINXOGJZNVQBO-UHFFFAOYSA-N 2 0 343.475 1.352 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940472014 700657239 /nfs/dbraw/zinc/65/72/39/700657239.db2.gz GFLHUVFZQJDIKF-IYBDPMFKSA-N 2 0 345.491 1.820 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000940472076 700657259 /nfs/dbraw/zinc/65/72/59/700657259.db2.gz IMPHYAGLIDOOCK-OKILXGFUSA-N 2 0 349.479 1.722 20 0 EDADRP Cn1nccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995080993 700708743 /nfs/dbraw/zinc/70/87/43/700708743.db2.gz SXYOMYNTGIMHLP-HOCLYGCPSA-N 2 0 333.480 1.136 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC000940865433 700947376 /nfs/dbraw/zinc/94/73/76/700947376.db2.gz YQLHYGDDOXVGQG-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCOC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865459 700947416 /nfs/dbraw/zinc/94/74/16/700947416.db2.gz ZFSMNWKMEPUXLM-SJORKVTESA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902236 700977095 /nfs/dbraw/zinc/97/70/95/700977095.db2.gz ZTHYAABHKOKQLR-BHEGOAEISA-N 2 0 335.492 1.475 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C2)o1 ZINC000995112501 701012527 /nfs/dbraw/zinc/01/25/27/701012527.db2.gz MCHOAJRILOXPEE-HOTGVXAUSA-N 2 0 349.479 1.484 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[NH+](Cc2cncn2C)CC1(C)C ZINC000941033713 701076875 /nfs/dbraw/zinc/07/68/75/701076875.db2.gz SNCVTSXKJOREFC-WBVHZDCISA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000995119297 701104244 /nfs/dbraw/zinc/10/42/44/701104244.db2.gz WRADUGLKPMFXMH-GDBMZVCRSA-N 2 0 327.432 1.730 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)o1 ZINC000999169000 706597202 /nfs/dbraw/zinc/59/72/02/706597202.db2.gz CBFVAZDDKVSPOL-DOTOQJQBSA-N 2 0 332.448 1.405 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941437218 701540362 /nfs/dbraw/zinc/54/03/62/701540362.db2.gz WFXQSVKSTCTSAU-SFHVURJKSA-N 2 0 348.535 1.488 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941437217 701540409 /nfs/dbraw/zinc/54/04/09/701540409.db2.gz WFXQSVKSTCTSAU-GOSISDBHSA-N 2 0 348.535 1.488 20 0 EDADRP CC1CC(C[NH2+][C@H]2CCCN(C(=O)c3ccn(CC[NH+](C)C)n3)C2)C1 ZINC000999181818 706609195 /nfs/dbraw/zinc/60/91/95/706609195.db2.gz NCTRITJNPRHBEK-JCYILVPMSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999176700 706618849 /nfs/dbraw/zinc/61/88/49/706618849.db2.gz XATDWJSRYFQRRH-IAGOWNOFSA-N 2 0 343.475 1.207 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2ccns2)C1 ZINC000999177362 706619757 /nfs/dbraw/zinc/61/97/57/706619757.db2.gz XZPVDHSHYDVZRF-ZBFHGGJFSA-N 2 0 334.489 1.566 20 0 EDADRP CCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031976096 701945658 /nfs/dbraw/zinc/94/56/58/701945658.db2.gz FAEJDVQJYVTKQY-DNVCBOLYSA-N 2 0 329.488 1.995 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2(C)C)n1 ZINC000995819197 702136298 /nfs/dbraw/zinc/13/62/98/702136298.db2.gz DMXUKMFCZKUDFU-SJORKVTESA-N 2 0 345.491 1.089 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)CC[N@@H+]1C ZINC000999199941 706643584 /nfs/dbraw/zinc/64/35/84/706643584.db2.gz ISDDVUPVANCXSE-IXDOHACOSA-N 2 0 333.480 1.194 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871359 702174985 /nfs/dbraw/zinc/17/49/85/702174985.db2.gz KSVIQZVOLGWCOQ-IAGOWNOFSA-N 2 0 347.507 1.584 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894765 702197440 /nfs/dbraw/zinc/19/74/40/702197440.db2.gz KWGNEMSVBZBNPL-IAGOWNOFSA-N 2 0 347.507 1.129 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995886870 702223378 /nfs/dbraw/zinc/22/33/78/702223378.db2.gz OJJHBOJQSMDDCS-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cnc(C)cn2)C(C)(C)C1)[NH+](C)C ZINC000995949326 702301282 /nfs/dbraw/zinc/30/12/82/702301282.db2.gz MHURNTJHVWCRTQ-CVEARBPZSA-N 2 0 333.480 1.452 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCN(Cc3cncs3)C2)CC1 ZINC001015929918 702318730 /nfs/dbraw/zinc/31/87/30/702318730.db2.gz FLJZUXFIUIOUNO-HNNXBMFYSA-N 2 0 336.505 1.954 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cn(C)nc2C)C(C)(C)C1)[NH+](C)C ZINC000995954876 702319072 /nfs/dbraw/zinc/31/90/72/702319072.db2.gz YEXXHISGPJMTBJ-CVEARBPZSA-N 2 0 335.496 1.395 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001015929924 702320208 /nfs/dbraw/zinc/32/02/08/702320208.db2.gz FMXWCJUVWCZDNP-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944170457 702414313 /nfs/dbraw/zinc/41/43/13/702414313.db2.gz UDTFXTZDYDCWAK-HIFRSBDPSA-N 2 0 332.448 1.405 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1)[NH+](C)C ZINC000996249727 702652065 /nfs/dbraw/zinc/65/20/65/702652065.db2.gz SPTNAQVXRPVXEF-JKSUJKDBSA-N 2 0 335.496 1.333 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c(C)o1 ZINC000995209707 702676010 /nfs/dbraw/zinc/67/60/10/702676010.db2.gz LAVPLEWTRCAESQ-HOTGVXAUSA-N 2 0 334.464 1.762 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996299810 702690714 /nfs/dbraw/zinc/69/07/14/702690714.db2.gz DOJPSUCEEFVNHX-CJNGLKHVSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301472 702693368 /nfs/dbraw/zinc/69/33/68/702693368.db2.gz UDUULIYMWLVKEE-CABCVRRESA-N 2 0 331.464 1.288 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302686 702694942 /nfs/dbraw/zinc/69/49/42/702694942.db2.gz YSVQHJLAZCOQSE-WBVHZDCISA-N 2 0 347.507 1.131 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnc(C)nc2)C(C)(C)C1)[NH+](C)C ZINC000996314036 702702490 /nfs/dbraw/zinc/70/24/90/702702490.db2.gz IAJPXXWDGGGRCF-JKSUJKDBSA-N 2 0 333.480 1.452 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nc2)C(C)(C)C1)[NH+](C)C ZINC000996316061 702704139 /nfs/dbraw/zinc/70/41/39/702704139.db2.gz WHYXXPAMDSZZME-JKSUJKDBSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995214055 702715954 /nfs/dbraw/zinc/71/59/54/702715954.db2.gz RBEWBBAGWUZNPJ-WMZOPIPTSA-N 2 0 330.476 1.860 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519688 702855872 /nfs/dbraw/zinc/85/58/72/702855872.db2.gz QFZZUHOQUGXBBN-HOTGVXAUSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)c1 ZINC000996520211 702855942 /nfs/dbraw/zinc/85/59/42/702855942.db2.gz OFHJCPHADDSDHL-QGZVFWFLSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996520227 702856171 /nfs/dbraw/zinc/85/61/71/702856171.db2.gz OHICZEHDKDHXFO-INIZCTEOSA-N 2 0 345.491 1.151 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccnc1 ZINC000996520178 702856191 /nfs/dbraw/zinc/85/61/91/702856191.db2.gz NWOREAOLLCXKSS-MRXNPFEDSA-N 2 0 328.460 1.504 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996617699 702924351 /nfs/dbraw/zinc/92/43/51/702924351.db2.gz VTBFNVGVEKJEPO-CJNGLKHVSA-N 2 0 334.439 1.499 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)s1 ZINC000996664701 702966757 /nfs/dbraw/zinc/96/67/57/702966757.db2.gz LTTWCEIPRRLEQJ-UHFFFAOYSA-N 2 0 337.493 1.411 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)ncn1 ZINC000996674203 702969362 /nfs/dbraw/zinc/96/93/62/702969362.db2.gz ASFLGPCCOHYWOH-QGZVFWFLSA-N 2 0 331.464 1.206 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000996723406 703018498 /nfs/dbraw/zinc/01/84/98/703018498.db2.gz MGSVUTBPZPXLDB-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000996727677 703022548 /nfs/dbraw/zinc/02/25/48/703022548.db2.gz IAVOTFTXNIAUSI-QGZVFWFLSA-N 2 0 333.480 1.293 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCOC2)cc1 ZINC001032684432 706715715 /nfs/dbraw/zinc/71/57/15/706715715.db2.gz QAYYYHLUPSANGX-WDSOQIARSA-N 2 0 343.471 1.683 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000996752920 703042350 /nfs/dbraw/zinc/04/23/50/703042350.db2.gz QTSXVVXJZFVNBD-CQSZACIVSA-N 2 0 325.497 1.601 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001032026389 703053399 /nfs/dbraw/zinc/05/33/99/703053399.db2.gz CUTIMHPQBROWLJ-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)cn1 ZINC000942597520 703112466 /nfs/dbraw/zinc/11/24/66/703112466.db2.gz LBXUJHJNEDTASM-KDOFPFPSSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942598130 703113141 /nfs/dbraw/zinc/11/31/41/703113141.db2.gz RSUKPJPLXURPTA-DYVFJYSZSA-N 2 0 334.464 1.651 20 0 EDADRP O=C(CCn1ccnc1)N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996843584 703130167 /nfs/dbraw/zinc/13/01/67/703130167.db2.gz FXQDCUNPGQJDTG-ZIAGYGMSSA-N 2 0 344.381 1.910 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nnc(C)[nH]3)CC2)C1 ZINC000996904159 703178470 /nfs/dbraw/zinc/17/84/70/703178470.db2.gz NFFCDYRBRKVNDF-HNNXBMFYSA-N 2 0 348.495 1.316 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996934560 703203985 /nfs/dbraw/zinc/20/39/85/703203985.db2.gz LWKSDYNUXTXUAJ-HNNXBMFYSA-N 2 0 349.475 1.962 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)nn1 ZINC000997008393 703266025 /nfs/dbraw/zinc/26/60/25/703266025.db2.gz LVZLHCQYBJULAH-PBHICJAKSA-N 2 0 348.495 1.137 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C)n2CC)CC1)[NH+](C)C ZINC000997008568 703266768 /nfs/dbraw/zinc/26/67/68/703266768.db2.gz BXYZCPMYIWFQSF-HNNXBMFYSA-N 2 0 336.484 1.027 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000997060402 703305512 /nfs/dbraw/zinc/30/55/12/703305512.db2.gz GLMOHEKCYKVJEI-HNNXBMFYSA-N 2 0 349.479 1.723 20 0 EDADRP Cn1ccc(-c2nc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cs2)n1 ZINC000921521400 703352207 /nfs/dbraw/zinc/35/22/07/703352207.db2.gz MYMIJYBNHOHTBN-UHFFFAOYSA-N 2 0 348.520 1.659 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccccc2OCC(=O)OC)CC1 ZINC000921528626 703386763 /nfs/dbraw/zinc/38/67/63/703386763.db2.gz HDWGVYGBCNOEBL-INIZCTEOSA-N 2 0 349.475 1.354 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCn2cncc2C1)C1CC[NH+](CCCO)CC1 ZINC000997178204 703464369 /nfs/dbraw/zinc/46/43/69/703464369.db2.gz QZFJQANUHQIYDY-ZBFHGGJFSA-N 2 0 334.464 1.045 20 0 EDADRP Cc1nccn1CC(=O)N1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000997310213 703567289 /nfs/dbraw/zinc/56/72/89/703567289.db2.gz PCDFMFWGQFOZDO-GDBMZVCRSA-N 2 0 334.464 1.587 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997390365 703657810 /nfs/dbraw/zinc/65/78/10/703657810.db2.gz ODAQHJCUUTWNGA-MRXNPFEDSA-N 2 0 342.487 1.894 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CC(N)=O)CC1 ZINC000997432178 703663953 /nfs/dbraw/zinc/66/39/53/703663953.db2.gz VGLOBGXKVXHYDH-CQSZACIVSA-N 2 0 346.475 1.064 20 0 EDADRP CC(C)C[NH+]1CCC([C@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997584728 703871846 /nfs/dbraw/zinc/87/18/46/703871846.db2.gz ATKNDBXMMIBHJU-INIZCTEOSA-N 2 0 349.523 1.931 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997611947 703909194 /nfs/dbraw/zinc/90/91/94/703909194.db2.gz IJUNATYNDFEMEW-IUODEOHRSA-N 2 0 335.452 1.361 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(CO)cc2)CC1 ZINC000997611417 703911137 /nfs/dbraw/zinc/91/11/37/703911137.db2.gz FLPAWRFZBLGMJG-LJQANCHMSA-N 2 0 345.487 1.601 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995549264 703932271 /nfs/dbraw/zinc/93/22/71/703932271.db2.gz BVERDNRSPOMPBP-JKSUJKDBSA-N 2 0 346.475 1.511 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995550997 703955502 /nfs/dbraw/zinc/95/55/02/703955502.db2.gz LKPGNJPSVBHJEP-DLBZAZTESA-N 2 0 347.507 1.885 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCOC2CCC2)C1 ZINC001033081943 704138183 /nfs/dbraw/zinc/13/81/83/704138183.db2.gz LTDOAZCNXDAJBO-SJLPKXTDSA-N 2 0 337.508 1.961 20 0 EDADRP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084714 704154940 /nfs/dbraw/zinc/15/49/40/704154940.db2.gz KKANFESLCSOYLT-JKSUJKDBSA-N 2 0 335.496 1.637 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnoc2C)C1 ZINC000999301864 706805345 /nfs/dbraw/zinc/80/53/45/706805345.db2.gz DFHDUPUQTIYIKM-SJORKVTESA-N 2 0 334.464 1.938 20 0 EDADRP O=C(Cc1cn2c(n1)CCCC2)N1CC[C@H]2C[N@H+](CCF)C[C@H]2CC1 ZINC000946597943 704309191 /nfs/dbraw/zinc/30/91/91/704309191.db2.gz RINVEPIOMCTMTA-IYBDPMFKSA-N 2 0 348.466 1.902 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H]2CCC[NH+]2Cc2cnon2)CC1 ZINC001004367587 704334856 /nfs/dbraw/zinc/33/48/56/704334856.db2.gz DXXFASOXBNTZRY-SJORKVTESA-N 2 0 347.463 1.367 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000922835680 704401328 /nfs/dbraw/zinc/40/13/28/704401328.db2.gz ZAESRKQFIUZESH-KRWDZBQOSA-N 2 0 343.431 1.387 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC[N@@H+]1Cc1ccccn1 ZINC000947934199 704607938 /nfs/dbraw/zinc/60/79/38/704607938.db2.gz JQGYNZLNNVUUIA-HOTGVXAUSA-N 2 0 328.460 1.647 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997722511 704612755 /nfs/dbraw/zinc/61/27/55/704612755.db2.gz IXVVGTSGRRXIBI-ZOBUZTSGSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000997774855 704680444 /nfs/dbraw/zinc/68/04/44/704680444.db2.gz HSEMWGJTOYQRCV-KRWDZBQOSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)CC[N@@H+]1C ZINC000997784349 704688158 /nfs/dbraw/zinc/68/81/58/704688158.db2.gz DHZDDGWABDLGSZ-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1)[NH+]1CCCC1 ZINC001032557896 704735490 /nfs/dbraw/zinc/73/54/90/704735490.db2.gz VLTUZEZVMODQQM-IRXDYDNUSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2CCCOC2)CC1)C1CCC1 ZINC000997831603 704749763 /nfs/dbraw/zinc/74/97/63/704749763.db2.gz VUXDUKJAIVXHLD-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1ncc(C[NH2+]CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997840662 704757045 /nfs/dbraw/zinc/75/70/45/704757045.db2.gz PXTLBLCGYUNMGJ-KRWDZBQOSA-N 2 0 348.495 1.018 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1)[NH+](C)C ZINC000997854370 704766340 /nfs/dbraw/zinc/76/63/40/704766340.db2.gz CHTQFOHKTNWGRW-QGZVFWFLSA-N 2 0 336.455 1.889 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(C)ncn2)CC1)[NH+](C)C ZINC000997857146 704769890 /nfs/dbraw/zinc/76/98/90/704769890.db2.gz WUVNMCIPYDPJSN-QGZVFWFLSA-N 2 0 333.480 1.453 20 0 EDADRP C[C@@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918949 704770283 /nfs/dbraw/zinc/77/02/83/704770283.db2.gz LQUPCFPCUXBDEO-HIFRSBDPSA-N 2 0 329.435 1.954 20 0 EDADRP C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944943662 704796394 /nfs/dbraw/zinc/79/63/94/704796394.db2.gz JIAPUBXOUAHIIW-IEBWSBKVSA-N 2 0 345.487 1.988 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)Cn3ccnc3C)[C@H](C)C2)sn1 ZINC000944944279 704796988 /nfs/dbraw/zinc/79/69/88/704796988.db2.gz LWANLHKDPSJZFJ-WBMJQRKESA-N 2 0 347.488 1.983 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997940901 705058858 /nfs/dbraw/zinc/05/88/58/705058858.db2.gz CBMJHGIRXNPVEM-SFHVURJKSA-N 2 0 346.475 1.877 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)CC1 ZINC000998031009 705221211 /nfs/dbraw/zinc/22/12/11/705221211.db2.gz JNHQKBKPHYBLQX-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998076667 705296446 /nfs/dbraw/zinc/29/64/46/705296446.db2.gz BZAUASLZLWWXQZ-YJBOKZPZSA-N 2 0 337.508 1.439 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000998082074 705308785 /nfs/dbraw/zinc/30/87/85/705308785.db2.gz NNHQOZQBZLFGDJ-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000998083137 705311690 /nfs/dbraw/zinc/31/16/90/705311690.db2.gz VNOASFTZZHNEHR-NVXWUHKLSA-N 2 0 347.507 1.429 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998083642 705313278 /nfs/dbraw/zinc/31/32/78/705313278.db2.gz XEYOTGFHLLLLRS-OAHLLOKOSA-N 2 0 331.464 1.289 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C[C@@H](C)O)CC1 ZINC000998113317 705363556 /nfs/dbraw/zinc/36/35/56/705363556.db2.gz YKYCKCFSSPPFMO-NVXWUHKLSA-N 2 0 325.497 1.412 20 0 EDADRP Cc1ncccc1C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998221828 705547856 /nfs/dbraw/zinc/54/78/56/705547856.db2.gz IEIBEQDUQXIMQK-UHFFFAOYSA-N 2 0 342.487 1.814 20 0 EDADRP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998549030 705985042 /nfs/dbraw/zinc/98/50/42/705985042.db2.gz JVQCXVAUYGZGPY-ZBCRRDGASA-N 2 0 334.464 1.971 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC(NCc2nc(C(C)(C)C)no2)C1 ZINC000998549180 705985233 /nfs/dbraw/zinc/98/52/33/705985233.db2.gz KQTPFDBQKMZQAY-JXQTWKCFSA-N 2 0 349.479 1.540 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998728035 706158320 /nfs/dbraw/zinc/15/83/20/706158320.db2.gz BCMIWDMASAWNTE-IEBWSBKVSA-N 2 0 345.487 1.913 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998796457 706243625 /nfs/dbraw/zinc/24/36/25/706243625.db2.gz ODAQEFMDVMMTEH-TWRYWWQQSA-N 2 0 348.495 1.026 20 0 EDADRP Cc1noc(CNC2CC(N(C)C(=O)[C@H]3CCCc4nccn43)C2)n1 ZINC000998902694 706339505 /nfs/dbraw/zinc/33/95/05/706339505.db2.gz XIKIGRMZCUFQML-JXQTWKCFSA-N 2 0 344.419 1.231 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCc3nccn32)C1 ZINC000998902659 706339763 /nfs/dbraw/zinc/33/97/63/706339763.db2.gz WPMDDXFMKDQABP-XUJLQICISA-N 2 0 343.431 1.836 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cncs3)C[C@H]2CC1 ZINC000946517583 706531511 /nfs/dbraw/zinc/53/15/11/706531511.db2.gz JCGVMIJMNCCUBY-HLLBOEOZSA-N 2 0 348.516 1.908 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCC2)C1 ZINC000999143888 706557679 /nfs/dbraw/zinc/55/76/79/706557679.db2.gz RASNTTLZFJYIPA-YMVOSSCXSA-N 2 0 333.476 1.229 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999146005 706559470 /nfs/dbraw/zinc/55/94/70/706559470.db2.gz TZUJKICQVBSDLC-JKSUJKDBSA-N 2 0 334.464 1.936 20 0 EDADRP Cn1nccc1CC[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999348333 706860596 /nfs/dbraw/zinc/86/05/96/706860596.db2.gz NTGLXEVOSJGBMT-OAHLLOKOSA-N 2 0 333.480 1.028 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999351606 706864414 /nfs/dbraw/zinc/86/44/14/706864414.db2.gz FBDRXUKBGLAOQN-QZTJIDSGSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999366017 706879668 /nfs/dbraw/zinc/87/96/68/706879668.db2.gz SNRSZQZDMFLWQT-HNNXBMFYSA-N 2 0 334.464 1.856 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CCC1 ZINC000999372573 706886876 /nfs/dbraw/zinc/88/68/76/706886876.db2.gz CIQSKNIGFFTXLU-AWEZNQCLSA-N 2 0 336.505 1.751 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999403984 706912658 /nfs/dbraw/zinc/91/26/58/706912658.db2.gz YLFHMYIKFKVMIE-KGLIPLIRSA-N 2 0 337.493 1.493 20 0 EDADRP COc1nccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)n1 ZINC000999433087 706940561 /nfs/dbraw/zinc/94/05/61/706940561.db2.gz JVQRVVDVUZMZOT-HOTGVXAUSA-N 2 0 349.479 1.152 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1)[NH+]1CCCCCC1 ZINC000999507378 707005021 /nfs/dbraw/zinc/00/50/21/707005021.db2.gz YSPWKEIGYTWHDT-AOCRQIFASA-N 2 0 347.507 1.727 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999491722 707028034 /nfs/dbraw/zinc/02/80/34/707028034.db2.gz WWWOPCDFZICWDE-KRWDZBQOSA-N 2 0 346.475 1.940 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CC[C@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999596801 707099722 /nfs/dbraw/zinc/09/97/22/707099722.db2.gz MPNCCBYACHLLQA-DLBZAZTESA-N 2 0 335.492 1.765 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999598668 707101431 /nfs/dbraw/zinc/10/14/31/707101431.db2.gz WSBGKVBPALRVDW-MRXNPFEDSA-N 2 0 343.475 1.494 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690363 707122193 /nfs/dbraw/zinc/12/21/93/707122193.db2.gz OCLVUDNHUSWRAB-VVJOJPPRSA-N 2 0 347.503 1.430 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)ccn1 ZINC000999682151 707167152 /nfs/dbraw/zinc/16/71/52/707167152.db2.gz LOYGAKNNRZCNKG-KLAILNCOSA-N 2 0 346.475 1.511 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nnc(C3CC3)[nH]2)C1 ZINC000999687756 707241801 /nfs/dbraw/zinc/24/18/01/707241801.db2.gz JBQDISRXDFHHJP-LRVUVFPRSA-N 2 0 346.479 1.103 20 0 EDADRP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@H]3C)CC[C@@H]2C1 ZINC000946779624 707244454 /nfs/dbraw/zinc/24/44/54/707244454.db2.gz QWDXDXJCFOIDOY-TVFCKZIOSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999689298 707244695 /nfs/dbraw/zinc/24/46/95/707244695.db2.gz RFHJAGDDXWKCHO-IUDNXUCKSA-N 2 0 346.475 1.973 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999705734 707295483 /nfs/dbraw/zinc/29/54/83/707295483.db2.gz FYFZJXLXLWSNTJ-UHFFFAOYSA-N 2 0 348.516 1.669 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CCC2CC2)C1 ZINC000999763696 707318308 /nfs/dbraw/zinc/31/83/08/707318308.db2.gz IBRHDKCSOZEHPF-ISXWCOSWSA-N 2 0 333.476 1.230 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033296616 707407091 /nfs/dbraw/zinc/40/70/91/707407091.db2.gz WPBSKPTXKMSUAD-IEBWSBKVSA-N 2 0 349.519 1.963 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999876845 707524761 /nfs/dbraw/zinc/52/47/61/707524761.db2.gz UMBKPJKFMJFNMD-VMBOVVBDSA-N 2 0 333.480 1.374 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999973399 707586235 /nfs/dbraw/zinc/58/62/35/707586235.db2.gz KMCUTGULZLMYAG-SJORKVTESA-N 2 0 347.507 1.623 20 0 EDADRP CCCC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCC[NH+]3C)nn2)C1 ZINC000999960665 707624155 /nfs/dbraw/zinc/62/41/55/707624155.db2.gz DRHOXDCNUSTTMN-HOTGVXAUSA-N 2 0 334.468 1.035 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995099 707673539 /nfs/dbraw/zinc/67/35/39/707673539.db2.gz CXOMYSVNIJHAQI-IRXDYDNUSA-N 2 0 348.495 1.281 20 0 EDADRP CCc1nocc1CN1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033360329 707687855 /nfs/dbraw/zinc/68/78/55/707687855.db2.gz HTZMHTCDAWEUFZ-YQQAZPJKSA-N 2 0 348.491 2.000 20 0 EDADRP C[C@H]([NH2+]Cc1cnn(C)c1)[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC001004977414 707812629 /nfs/dbraw/zinc/81/26/29/707812629.db2.gz QQCFWIPJXNGZRH-YOEHRIQHSA-N 2 0 344.463 1.256 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001033420356 707830529 /nfs/dbraw/zinc/83/05/29/707830529.db2.gz OFSNXSXSJRYXKT-HOCLYGCPSA-N 2 0 349.479 1.185 20 0 EDADRP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001038537376 707849889 /nfs/dbraw/zinc/84/98/89/707849889.db2.gz QVQWVLQLOCXDTQ-DHADLLTHSA-N 2 0 335.492 1.476 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCc2ccc(F)c(F)c2)C1 ZINC001032782207 707972063 /nfs/dbraw/zinc/97/20/63/707972063.db2.gz YBMPRSUHRZGOBB-PMPSAXMXSA-N 2 0 349.425 1.744 20 0 EDADRP O=C(NCC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001001424603 708146582 /nfs/dbraw/zinc/14/65/82/708146582.db2.gz JBNJTCVNSXJBQZ-XRDZWUHTSA-N 2 0 341.883 1.430 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cn2)C1 ZINC001033578187 708254697 /nfs/dbraw/zinc/25/46/97/708254697.db2.gz GWCSGRBKOHQFGM-HOCLYGCPSA-N 2 0 343.431 1.449 20 0 EDADRP COC[C@H](C)[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001771801 708294530 /nfs/dbraw/zinc/29/45/30/708294530.db2.gz FJPBTSJAZBZXIU-AWEZNQCLSA-N 2 0 337.464 1.818 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033594548 708296877 /nfs/dbraw/zinc/29/68/77/708296877.db2.gz NNRBGICGCGKNGS-GJZGRUSLSA-N 2 0 336.505 1.560 20 0 EDADRP Cc1oncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001835026 708361494 /nfs/dbraw/zinc/36/14/94/708361494.db2.gz UNSMAJBNNQYCTG-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1 ZINC001033661919 708476048 /nfs/dbraw/zinc/47/60/48/708476048.db2.gz NLACLIRKNORVGJ-QZTJIDSGSA-N 2 0 345.487 1.722 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033687216 708503225 /nfs/dbraw/zinc/50/32/25/708503225.db2.gz ZSAYHGYWNKOSFD-RDJZCZTQSA-N 2 0 333.476 1.929 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+]([C@@H](C)COC)CC1 ZINC001002156021 708670862 /nfs/dbraw/zinc/67/08/62/708670862.db2.gz FJLVRBCOAQRZQT-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2cnon2)CC1 ZINC001002159271 708673262 /nfs/dbraw/zinc/67/32/62/708673262.db2.gz QAIKIWJCBDHNIY-INIZCTEOSA-N 2 0 335.452 1.272 20 0 EDADRP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)OC ZINC001005400237 708887280 /nfs/dbraw/zinc/88/72/80/708887280.db2.gz ZUFOVRHMMAURHS-ROUUACIJSA-N 2 0 337.508 1.676 20 0 EDADRP CC[C@@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)OC ZINC001005408353 708916134 /nfs/dbraw/zinc/91/61/34/708916134.db2.gz XJTXMWWNYQBRDE-HYVNUMGLSA-N 2 0 325.497 1.674 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC001002476799 709013803 /nfs/dbraw/zinc/01/38/03/709013803.db2.gz UQSHRXDNNWTSHW-KRWDZBQOSA-N 2 0 343.431 1.398 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001034017352 709234612 /nfs/dbraw/zinc/23/46/12/709234612.db2.gz RESDUHBRYDVCDM-IAGOWNOFSA-N 2 0 335.492 1.432 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2scnc2C)C1 ZINC001034043481 709294811 /nfs/dbraw/zinc/29/48/11/709294811.db2.gz VJZCEFQQJZCRFS-HUUCEWRRSA-N 2 0 336.505 1.826 20 0 EDADRP C[C@@]12CN(C(=O)C3([NH3+])CCOCC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702069724 709312017 /nfs/dbraw/zinc/31/20/17/709312017.db2.gz QVGCJMONJNJKSZ-PKOBYXMFSA-N 2 0 343.471 1.475 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002790948 709398636 /nfs/dbraw/zinc/39/86/36/709398636.db2.gz CSWVKEANZLDPML-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@@H]1CCCC[N@@H+](CCO)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001034212935 709564267 /nfs/dbraw/zinc/56/42/67/709564267.db2.gz RXXGTOVTRQNOKQ-DLBZAZTESA-N 2 0 337.508 1.604 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001034256926 709641066 /nfs/dbraw/zinc/64/10/66/709641066.db2.gz FEASXNDGXGRHHU-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)cn1 ZINC001003146327 710043356 /nfs/dbraw/zinc/04/33/56/710043356.db2.gz PISVLPGXIRAWMI-MSOLQXFVSA-N 2 0 345.491 1.518 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC001003168740 710081610 /nfs/dbraw/zinc/08/16/10/710081610.db2.gz UZBHBSTXARDSFW-GOSISDBHSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cncc(C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001034485926 710132222 /nfs/dbraw/zinc/13/22/22/710132222.db2.gz HLCPUVZUMVIMND-SFHVURJKSA-N 2 0 342.487 1.957 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003228897 710149801 /nfs/dbraw/zinc/14/98/01/710149801.db2.gz DWTXMSOPVPBPPW-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229301 710150140 /nfs/dbraw/zinc/15/01/40/710150140.db2.gz FJGCKBNUMQWFGK-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP CC1CC(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC001003330776 710265294 /nfs/dbraw/zinc/26/52/94/710265294.db2.gz CSIXTUXYSYPHJS-ZVQXUQNISA-N 2 0 347.503 1.476 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)s1 ZINC001034607699 710271358 /nfs/dbraw/zinc/27/13/58/710271358.db2.gz RAFUBFPDHPMVLY-MGPQQGTHSA-N 2 0 337.493 1.458 20 0 EDADRP Cn1cc(C(=O)N2CCC3(C2)CC[NH2+]CC3)c([C@H]2CCC[NH2+]C2)n1 ZINC000424151878 710276346 /nfs/dbraw/zinc/27/63/46/710276346.db2.gz IOLZRVKLALRPBW-AWEZNQCLSA-N 2 0 331.464 1.103 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CCCC1 ZINC001032839487 710281540 /nfs/dbraw/zinc/28/15/40/710281540.db2.gz QRHSVJMPSSYYLV-SQNIBIBYSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)Cc2ccccc2)C1 ZINC001032839611 710282006 /nfs/dbraw/zinc/28/20/06/710282006.db2.gz GIBXCGZOGJLXMV-QRVBRYPASA-N 2 0 345.487 1.265 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034642537 710318151 /nfs/dbraw/zinc/31/81/51/710318151.db2.gz GUGMYYDMLATIPM-JFIYKMOQSA-N 2 0 347.507 1.810 20 0 EDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC001034646858 710323185 /nfs/dbraw/zinc/32/31/85/710323185.db2.gz YJJGQEMXGIECQG-FPCVCCKLSA-N 2 0 338.496 1.140 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001034647321 710323717 /nfs/dbraw/zinc/32/37/17/710323717.db2.gz DYZPGGDKLVBYFY-YFHUEUNASA-N 2 0 347.507 1.320 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001034648528 710325341 /nfs/dbraw/zinc/32/53/41/710325341.db2.gz KXBNZWHVEWNEKM-BQFCYCMXSA-N 2 0 346.475 1.842 20 0 EDADRP CC(C)(C(=O)NC1CC[NH+](CC[C@@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC001003423658 710339033 /nfs/dbraw/zinc/33/90/33/710339033.db2.gz LUIHZMAOVNTMJY-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC001003544827 710412639 /nfs/dbraw/zinc/41/26/39/710412639.db2.gz WGTPEPFQVUSRFP-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC001003547891 710414078 /nfs/dbraw/zinc/41/40/78/710414078.db2.gz ORNPGCLOAPVGNJ-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003628712 710458640 /nfs/dbraw/zinc/45/86/40/710458640.db2.gz VCDPYKXMZIWMTO-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cc1 ZINC001003632691 710461421 /nfs/dbraw/zinc/46/14/21/710461421.db2.gz BRDGZLNXJUFFAV-HNAYVOBHSA-N 2 0 345.487 1.974 20 0 EDADRP CC(C)c1nccn1CC(=O)NC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001003721451 710513569 /nfs/dbraw/zinc/51/35/69/710513569.db2.gz ZTHDQVWBNIQVRN-UHFFFAOYSA-N 2 0 344.463 1.521 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034673400 710607168 /nfs/dbraw/zinc/60/71/68/710607168.db2.gz AFRBKJZHZFBIOF-BZUAXINKSA-N 2 0 333.480 1.421 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)co1 ZINC001034673509 710611261 /nfs/dbraw/zinc/61/12/61/710611261.db2.gz BZOFBOLWNKVPJE-BFYDXBDKSA-N 2 0 334.464 1.984 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC001005591240 710648050 /nfs/dbraw/zinc/64/80/50/710648050.db2.gz GXCHCLZQYOOLQP-ROUUACIJSA-N 2 0 337.508 1.963 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC001005594448 710655747 /nfs/dbraw/zinc/65/57/47/710655747.db2.gz YVLRRXKDRBPQQG-QZTJIDSGSA-N 2 0 337.508 1.963 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C[C@@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001003841105 710674049 /nfs/dbraw/zinc/67/40/49/710674049.db2.gz HGYFCJJVJMUELE-FXAWDEMLSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1)[NH+]1CCCC1 ZINC001034703885 710813410 /nfs/dbraw/zinc/81/34/10/710813410.db2.gz FOXWKTAVCGHLGN-WKILWMFISA-N 2 0 345.491 1.868 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005659689 710884651 /nfs/dbraw/zinc/88/46/51/710884651.db2.gz DEZUNNCIFTVNNS-MRXNPFEDSA-N 2 0 335.492 1.574 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c1 ZINC001032944475 710921137 /nfs/dbraw/zinc/92/11/37/710921137.db2.gz LBGXFEZQIMRBPL-OALUTQOASA-N 2 0 344.503 1.880 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1 ZINC001032959789 710992033 /nfs/dbraw/zinc/99/20/33/710992033.db2.gz JRMDWXXUGIRRER-RHSMWYFYSA-N 2 0 343.431 1.350 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cc1 ZINC001032967409 711027368 /nfs/dbraw/zinc/02/73/68/711027368.db2.gz IMCOQFYZSCJDQP-WMZOPIPTSA-N 2 0 331.460 1.822 20 0 EDADRP Cc1cc(C)cc([C@H](O)C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000174774559 711031889 /nfs/dbraw/zinc/03/18/89/711031889.db2.gz XPOYZBVQZMDKFZ-LJQANCHMSA-N 2 0 347.503 1.727 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC001034776655 711053331 /nfs/dbraw/zinc/05/33/31/711053331.db2.gz WGWDMWXOVQFNMX-BRWVUGGUSA-N 2 0 345.491 1.644 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1)C12CC[NH+](CC1)C2 ZINC001034777868 711057059 /nfs/dbraw/zinc/05/70/59/711057059.db2.gz LPMAPPLDDYVBAH-WKILWMFISA-N 2 0 328.460 1.694 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c1 ZINC001034791242 711104541 /nfs/dbraw/zinc/10/45/41/711104541.db2.gz HWXYJSXUZALULR-BZSNNMDCSA-N 2 0 330.476 1.859 20 0 EDADRP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC001034794440 711110556 /nfs/dbraw/zinc/11/05/56/711110556.db2.gz HRRYUNACUJYDNL-SHTZXODSSA-N 2 0 348.495 1.541 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)nn1C ZINC001034795066 711112842 /nfs/dbraw/zinc/11/28/42/711112842.db2.gz UQTMRTRXOMWQNZ-WKILWMFISA-N 2 0 333.480 1.341 20 0 EDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1)C(N)=O ZINC001034795937 711115628 /nfs/dbraw/zinc/11/56/28/711115628.db2.gz YSPITEHSZQMYDB-KLHDSHLOSA-N 2 0 338.496 1.142 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC001003985653 711189759 /nfs/dbraw/zinc/18/97/59/711189759.db2.gz OUIFWEFOLBCDGI-GOSISDBHSA-N 2 0 343.471 1.396 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@@H+]2C)ccn1 ZINC001034881856 711282616 /nfs/dbraw/zinc/28/26/16/711282616.db2.gz NQZLWFXRHTZXSS-CVEARBPZSA-N 2 0 332.448 1.265 20 0 EDADRP COc1nccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034957727 711429739 /nfs/dbraw/zinc/42/97/39/711429739.db2.gz GUFJFYFUBAXBQS-MRXNPFEDSA-N 2 0 347.463 1.050 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccc(CO)cc2)CC[N@@H+]1C ZINC001034939671 711442151 /nfs/dbraw/zinc/44/21/51/711442151.db2.gz JYJLIGRHNYCDHC-ATZDWAIDSA-N 2 0 345.487 1.600 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386552 711447932 /nfs/dbraw/zinc/44/79/32/711447932.db2.gz FWYGHHOMUINHHU-YWTNHNAXSA-N 2 0 348.491 1.286 20 0 EDADRP CCc1ncc(C[NH2+][C@@H]2C[C@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922394644 711461134 /nfs/dbraw/zinc/46/11/34/711461134.db2.gz PWZNKLDEYUALOF-PSBWJHGTSA-N 2 0 332.492 1.998 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1C[C@]2(C[N@H+](CC)[C@@H]2C(C)C)C[C@H]1O ZINC000922396065 711470671 /nfs/dbraw/zinc/47/06/71/711470671.db2.gz ZUFXKPYLBYVDSD-VDHUWJSZSA-N 2 0 335.496 1.566 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](CCOc3cccc(F)c3)CC2)C1 ZINC001004146824 711557639 /nfs/dbraw/zinc/55/76/39/711557639.db2.gz AWVCNIBMKZBDPH-OAHLLOKOSA-N 2 0 349.450 1.737 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001004148846 711562173 /nfs/dbraw/zinc/56/21/73/711562173.db2.gz WKDQOTOHQVBMJE-UHFFFAOYSA-N 2 0 331.460 1.355 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922519036 711648721 /nfs/dbraw/zinc/64/87/21/711648721.db2.gz LHDVJISKADXAGC-WBVHZDCISA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922519027 711648835 /nfs/dbraw/zinc/64/88/35/711648835.db2.gz LDLMGPMFUKHSGX-KKUMJFAQSA-N 2 0 328.526 1.594 20 0 EDADRP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004548147 711958594 /nfs/dbraw/zinc/95/85/94/711958594.db2.gz QGBPNXDYKRZBBO-DLBZAZTESA-N 2 0 349.479 1.613 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144437 711979594 /nfs/dbraw/zinc/97/95/94/711979594.db2.gz XGJYUNHIUCPHFL-ZWKOTPCHSA-N 2 0 337.508 1.819 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@H+]([C@H](C)COC)C[C@H]2CC1)[NH+](C)C ZINC000946642432 712128191 /nfs/dbraw/zinc/12/81/91/712128191.db2.gz JGNOEWPRRZORSF-WCXIOVBPSA-N 2 0 325.497 1.532 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)C[C@@H]3C)nc(C)n2)[C@@H](C)C1 ZINC000557696091 306233408 /nfs/dbraw/zinc/23/34/08/306233408.db2.gz OKTDLIBVZKHAHH-HOTGVXAUSA-N 2 0 346.523 1.846 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)N3CC[C@@H]([NH+](C)C)C3)CCC[N@@H+]2C)cn1 ZINC000377711391 282197524 /nfs/dbraw/zinc/19/75/24/282197524.db2.gz ZYOILCWOCFBEEE-DJIMGWMZSA-N 2 0 348.495 1.149 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO)c1ccccc1 ZINC000493710559 282238577 /nfs/dbraw/zinc/23/85/77/282238577.db2.gz SMDZKEPBMHPQGD-LMMKCTJWSA-N 2 0 333.476 1.546 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCCSC1 ZINC000369360619 282273688 /nfs/dbraw/zinc/27/36/88/282273688.db2.gz YALBGNFGSHCZJI-NVXWUHKLSA-N 2 0 325.522 1.947 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000171356381 530063471 /nfs/dbraw/zinc/06/34/71/530063471.db2.gz NSIRQCYBHZKLFG-OALUTQOASA-N 2 0 344.503 1.944 20 0 EDADRP [NH3+]CC1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000561165572 306283415 /nfs/dbraw/zinc/28/34/15/306283415.db2.gz HRSSNYZUTGGQBN-LJQANCHMSA-N 2 0 344.503 1.931 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000342991318 539772074 /nfs/dbraw/zinc/77/20/74/539772074.db2.gz QZPDHVRGHRWIFD-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CCC3(CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000343777240 539795995 /nfs/dbraw/zinc/79/59/95/539795995.db2.gz XVCYSMJHARUACF-IXDOHACOSA-N 2 0 325.497 1.017 20 0 EDADRP Cn1cc(-c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o2)cn1 ZINC000562524015 306301350 /nfs/dbraw/zinc/30/13/50/306301350.db2.gz WAAWTCDBGOVHME-UHFFFAOYSA-N 2 0 333.436 1.246 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000104532488 219393076 /nfs/dbraw/zinc/39/30/76/219393076.db2.gz HRKVURGHHUMSSQ-GOSISDBHSA-N 2 0 333.476 1.931 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000562758821 306308185 /nfs/dbraw/zinc/30/81/85/306308185.db2.gz OCQWFDYBBXJQQT-INIZCTEOSA-N 2 0 345.491 1.950 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000562789237 306309022 /nfs/dbraw/zinc/30/90/22/306309022.db2.gz FNCBYMZEQDBKEE-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000562839200 306311011 /nfs/dbraw/zinc/31/10/11/306311011.db2.gz FFLUEVPQHUHTGK-RTBURBONSA-N 2 0 345.487 1.863 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000342765986 291048613 /nfs/dbraw/zinc/04/86/13/291048613.db2.gz RJDAGEDPYCWDGV-JYJNAYRXSA-N 2 0 339.480 1.380 20 0 EDADRP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H](C)N1CC[NH+](C)CC1)CC2 ZINC000279918850 540069568 /nfs/dbraw/zinc/06/95/68/540069568.db2.gz ABKHHXSAYMUOMQ-PBHICJAKSA-N 2 0 333.476 1.917 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000348586148 283086825 /nfs/dbraw/zinc/08/68/25/283086825.db2.gz DTFVBXYTKCBVMS-KURKYZTESA-N 2 0 335.492 1.715 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563521357 306336937 /nfs/dbraw/zinc/33/69/37/306336937.db2.gz LCNALALZBNPVNE-ZOBUZTSGSA-N 2 0 333.480 1.010 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000077714558 138254037 /nfs/dbraw/zinc/25/40/37/138254037.db2.gz FJSBBHJYQYKYQW-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)CC1 ZINC000093133273 138291859 /nfs/dbraw/zinc/29/18/59/138291859.db2.gz YYHRCTMNZBVRFF-IBGZPJMESA-N 2 0 340.475 1.479 20 0 EDADRP NC(=O)c1csc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000093735174 138294524 /nfs/dbraw/zinc/29/45/24/138294524.db2.gz ZTYZYPCQUMAZMP-UHFFFAOYSA-N 2 0 337.489 1.924 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3ccc(C)cc3)C2)CC1 ZINC000107370996 138304211 /nfs/dbraw/zinc/30/42/11/138304211.db2.gz RPLAOGDFIFXIPU-OALUTQOASA-N 2 0 347.503 1.447 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000120900358 138316488 /nfs/dbraw/zinc/31/64/88/138316488.db2.gz GZHUXYDMIPJBBO-WMZOPIPTSA-N 2 0 348.491 1.384 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563586530 306340162 /nfs/dbraw/zinc/34/01/62/306340162.db2.gz QCIZBDLBJRZLIR-HOTGVXAUSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000563591669 306340602 /nfs/dbraw/zinc/34/06/02/306340602.db2.gz YFOAYIIIZUFAGW-FZCLSBEQSA-N 2 0 330.476 1.947 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N3CCC[C@@H]([NH3+])C3)CCCC2)CC1 ZINC000563610216 306341794 /nfs/dbraw/zinc/34/17/94/306341794.db2.gz IQXSSZTZFMOMGY-OAHLLOKOSA-N 2 0 338.496 1.543 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413540194 304065514 /nfs/dbraw/zinc/06/55/14/304065514.db2.gz KYWBHYHNZMZURL-INIZCTEOSA-N 2 0 348.491 1.263 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563810223 306348098 /nfs/dbraw/zinc/34/80/98/306348098.db2.gz JSZHIBRAZQVSHD-IPMKNSEASA-N 2 0 343.471 1.618 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000341159806 291138877 /nfs/dbraw/zinc/13/88/77/291138877.db2.gz SROSTSJNCRDBNM-MAUKXSAKSA-N 2 0 344.503 1.868 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)CC[N@@H+]1CCOC ZINC000345760632 535430861 /nfs/dbraw/zinc/43/08/61/535430861.db2.gz UYLUGATXJWZBEX-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078403 283388659 /nfs/dbraw/zinc/38/86/59/283388659.db2.gz VTADDYDMQLJYHJ-SFHVURJKSA-N 2 0 348.491 1.576 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000564551406 306360322 /nfs/dbraw/zinc/36/03/22/306360322.db2.gz XNNKCMAMAPJFOW-NEWSRXKRSA-N 2 0 344.503 1.848 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000564715868 306363252 /nfs/dbraw/zinc/36/32/52/306363252.db2.gz PPCFEGIKZOURSG-QGZVFWFLSA-N 2 0 332.448 1.864 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)n1 ZINC000173951192 237271867 /nfs/dbraw/zinc/27/18/67/237271867.db2.gz LZBJGNKPGDESMI-MRXNPFEDSA-N 2 0 348.495 1.831 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837922 306366420 /nfs/dbraw/zinc/36/64/20/306366420.db2.gz SEXSGXYRODXWOR-HQRMLTQVSA-N 2 0 327.472 1.860 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000564939107 306370470 /nfs/dbraw/zinc/37/04/70/306370470.db2.gz YXCWOUMATWQWSP-HZPDHXFCSA-N 2 0 339.528 1.171 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000564953929 306371233 /nfs/dbraw/zinc/37/12/33/306371233.db2.gz IKBSXFGGUNDSFR-MOPGFXCFSA-N 2 0 343.471 1.343 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000130519185 223159308 /nfs/dbraw/zinc/15/93/08/223159308.db2.gz YTPJLCHPBRFVPH-KRWDZBQOSA-N 2 0 345.491 1.891 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@@]1(C)CCCO1 ZINC000414195380 304105310 /nfs/dbraw/zinc/10/53/10/304105310.db2.gz OAMCOTOBZBXNKW-DLBZAZTESA-N 2 0 325.497 1.330 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)N[C@@H]2CCC[NH2+]C2)c2ccccc2)CC1 ZINC000565588061 306387336 /nfs/dbraw/zinc/38/73/36/306387336.db2.gz VQGQHTZDYGBVCX-QZTJIDSGSA-N 2 0 345.491 1.026 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)N1CCCO[C@@H](C[NH3+])C1 ZINC000565707962 306389136 /nfs/dbraw/zinc/38/91/36/306389136.db2.gz IRXBIIBAPUGVSX-IJEWVQPXSA-N 2 0 333.432 1.065 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000565947165 306395127 /nfs/dbraw/zinc/39/51/27/306395127.db2.gz JATKEKFVMNJZKJ-HZPDHXFCSA-N 2 0 347.463 1.070 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc(O)cc(F)c2)(N2CCOCC2)CC1 ZINC000414485477 304119070 /nfs/dbraw/zinc/11/90/70/304119070.db2.gz PISFSHYWCUUPCE-UHFFFAOYSA-N 2 0 337.439 1.418 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000566190887 306402862 /nfs/dbraw/zinc/40/28/62/306402862.db2.gz ULTFVYZSYLHQNW-RHSMWYFYSA-N 2 0 332.448 1.102 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414697948 304128846 /nfs/dbraw/zinc/12/88/46/304128846.db2.gz WYQOTXZXDPUQMZ-OAHLLOKOSA-N 2 0 346.475 1.712 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000566348662 306409714 /nfs/dbraw/zinc/40/97/14/306409714.db2.gz GAZWHSHSWDKFQP-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)C1 ZINC000414703676 304130150 /nfs/dbraw/zinc/13/01/50/304130150.db2.gz MNCUNVTXIQQDNU-IRXDYDNUSA-N 2 0 333.451 1.887 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000414709580 304130717 /nfs/dbraw/zinc/13/07/17/304130717.db2.gz RHGXFRHJLXUGHV-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414714707 304131854 /nfs/dbraw/zinc/13/18/54/304131854.db2.gz XYTVQPNZFNGMGA-HOTGVXAUSA-N 2 0 339.505 1.593 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[NH+]1CCCC1 ZINC000414740470 304135616 /nfs/dbraw/zinc/13/56/16/304135616.db2.gz RDKPFSIUWDCODU-WMLDXEAASA-N 2 0 346.475 1.881 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCO[C@H](C[NH3+])C2)CC1 ZINC000414742895 304136096 /nfs/dbraw/zinc/13/60/96/304136096.db2.gz UPUNVZJTDCHSAP-OAHLLOKOSA-N 2 0 347.463 1.020 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000566619750 306422145 /nfs/dbraw/zinc/42/21/45/306422145.db2.gz OWBITYRJOPLPAJ-OAHLLOKOSA-N 2 0 340.418 1.541 20 0 EDADRP COCCOc1cc2c(cc1C[NH2+]CC[C@H]1CCC[NH2+]C1)OCO2 ZINC000414845185 304147205 /nfs/dbraw/zinc/14/72/05/304147205.db2.gz FKKKSSHXWHWUFI-CQSZACIVSA-N 2 0 336.432 1.920 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000566855991 306430822 /nfs/dbraw/zinc/43/08/22/306430822.db2.gz IUVJMTBIFWMMAM-GOSISDBHSA-N 2 0 330.476 1.017 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)c1 ZINC000415039404 304153502 /nfs/dbraw/zinc/15/35/02/304153502.db2.gz MWIMDCQKOHVDSK-CJNGLKHVSA-N 2 0 332.448 1.334 20 0 EDADRP Cc1ccc2ncc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)n2c1 ZINC000415057168 304155274 /nfs/dbraw/zinc/15/52/74/304155274.db2.gz RDJRHJGAZGUPJK-UHFFFAOYSA-N 2 0 327.476 1.949 20 0 EDADRP CCOc1c(Br)cc(CN(C)C[C@@H](O)C[NH3+])cc1OC ZINC000415054191 304155211 /nfs/dbraw/zinc/15/52/11/304155211.db2.gz LFLDBGBYMZBMRV-NSHDSACASA-N 2 0 347.253 1.608 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000415107832 304160919 /nfs/dbraw/zinc/16/09/19/304160919.db2.gz PHTDRUBTAVGBPB-ATNYBXOESA-N 2 0 333.480 1.640 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000415118334 304161151 /nfs/dbraw/zinc/16/11/51/304161151.db2.gz YAXOIQWEPDAZJX-MRXNPFEDSA-N 2 0 344.459 1.431 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1csc(CC[NH3+])n1)c1cccc(F)c1 ZINC000194825866 139000864 /nfs/dbraw/zinc/00/08/64/139000864.db2.gz LIZYMQSNKDOXBO-AWEZNQCLSA-N 2 0 336.436 1.816 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC([NH+]2CCCC2)CC1 ZINC000424126064 296166534 /nfs/dbraw/zinc/16/65/34/296166534.db2.gz BCAHHNDGMVEUIQ-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000195159259 139008247 /nfs/dbraw/zinc/00/82/47/139008247.db2.gz TTZAMAQLNTVAIK-IBGZPJMESA-N 2 0 344.503 1.310 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(O)(C[NH3+])CC2)CC1 ZINC000415142649 304164001 /nfs/dbraw/zinc/16/40/01/304164001.db2.gz QJZILYHVNMQYBT-UHFFFAOYSA-N 3 0 332.492 1.114 20 0 EDADRP COc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)c(SC)cc1OC ZINC000415144593 304164372 /nfs/dbraw/zinc/16/43/72/304164372.db2.gz UVMPNGKWHRXTBB-UHFFFAOYSA-N 2 0 326.462 1.711 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000237200369 139043858 /nfs/dbraw/zinc/04/38/58/139043858.db2.gz LERITOPLPJLHLP-INIZCTEOSA-N 2 0 333.476 1.771 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@]3(C)CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237399917 139050180 /nfs/dbraw/zinc/05/01/80/139050180.db2.gz IHIQFAVBMVGODC-GPMSIDNRSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)C[C@@H]2CSCC[NH2+]2)C[C@@H](C)O1 ZINC000237408288 139050441 /nfs/dbraw/zinc/05/04/41/139050441.db2.gz PBDGFQOYRDSIOH-FPCVCCKLSA-N 2 0 341.521 1.182 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415193259 304173525 /nfs/dbraw/zinc/17/35/25/304173525.db2.gz JOPCSLQIFRTXJA-HNNXBMFYSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@H](CC(=O)NCC1CC[NH+](CCN(C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000237609558 139055560 /nfs/dbraw/zinc/05/55/60/139055560.db2.gz DDQIJRAPGLDXPR-AEFFLSMTSA-N 2 0 338.540 1.402 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000111811330 220193893 /nfs/dbraw/zinc/19/38/93/220193893.db2.gz MMOTUMFVNLDXAP-HZPDHXFCSA-N 2 0 340.512 1.658 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCCCC[NH+]2CCCC2)c1 ZINC000415246176 304177967 /nfs/dbraw/zinc/17/79/67/304177967.db2.gz QPYICQMLHYTQIM-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000568153388 306473415 /nfs/dbraw/zinc/47/34/15/306473415.db2.gz CWOOPFGFKPEFIC-OAHLLOKOSA-N 2 0 331.460 1.419 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000333407567 296243552 /nfs/dbraw/zinc/24/35/52/296243552.db2.gz QWEFSMRVZVDZRR-PMPSAXMXSA-N 2 0 345.491 1.999 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415370496 304206662 /nfs/dbraw/zinc/20/66/62/304206662.db2.gz DCOGJBWYGMJTKK-QGZVFWFLSA-N 2 0 344.459 1.132 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@H]21 ZINC000247308102 139144372 /nfs/dbraw/zinc/14/43/72/139144372.db2.gz VEHGALKJNUYOIV-DOTOQJQBSA-N 2 0 344.459 1.530 20 0 EDADRP COc1ccccc1CCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248119444 139158315 /nfs/dbraw/zinc/15/83/15/139158315.db2.gz NDZHKMFXAMATNA-ZWKOTPCHSA-N 2 0 345.487 1.770 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000339942429 284716269 /nfs/dbraw/zinc/71/62/69/284716269.db2.gz FOBMQVSNNSRFGK-JYJNAYRXSA-N 2 0 328.501 1.515 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415412804 304216845 /nfs/dbraw/zinc/21/68/45/304216845.db2.gz NGAUCVZUDADPEP-BLLLJJGKSA-N 2 0 332.448 1.146 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000249833953 139199328 /nfs/dbraw/zinc/19/93/28/139199328.db2.gz QMYAKGBSRXATRX-MDZRGWNJSA-N 2 0 345.487 1.912 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C1CCOCC1 ZINC000261621502 139211958 /nfs/dbraw/zinc/21/19/58/139211958.db2.gz CENGGAUIJUMUPI-MSOLQXFVSA-N 2 0 331.460 1.521 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417011325 284802364 /nfs/dbraw/zinc/80/23/64/284802364.db2.gz RNTXAMXOPPDOCK-CABCVRRESA-N 2 0 326.485 1.114 20 0 EDADRP CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261836083 139230260 /nfs/dbraw/zinc/23/02/60/139230260.db2.gz QJBDJCLVXWTNHY-IBGZPJMESA-N 2 0 349.475 1.723 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261929557 139237944 /nfs/dbraw/zinc/23/79/44/139237944.db2.gz ZUACKKJLQWNLPX-XEGUGMAKSA-N 2 0 340.265 1.880 20 0 EDADRP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000261953930 139239590 /nfs/dbraw/zinc/23/95/90/139239590.db2.gz GIEJPIAJMXZIQM-OAHLLOKOSA-N 2 0 335.448 1.523 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261996715 139242724 /nfs/dbraw/zinc/24/27/24/139242724.db2.gz UQJAAHKVGLGZJC-CQSZACIVSA-N 2 0 325.478 1.498 20 0 EDADRP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262068709 139248339 /nfs/dbraw/zinc/24/83/39/139248339.db2.gz BTEOFAVRTDZCRI-OAHLLOKOSA-N 2 0 329.423 1.695 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000416883971 251117673 /nfs/dbraw/zinc/11/76/73/251117673.db2.gz KECQJHFCMXNQCG-QGZVFWFLSA-N 2 0 334.464 1.316 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]1 ZINC000416986705 251119110 /nfs/dbraw/zinc/11/91/10/251119110.db2.gz ZUTNZEXHEKELBA-MRXNPFEDSA-N 2 0 330.476 1.697 20 0 EDADRP COC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000262314279 139269263 /nfs/dbraw/zinc/26/92/63/139269263.db2.gz DDZTYMSCBJMXLJ-INIZCTEOSA-N 2 0 348.447 1.413 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H](NC)c1cnn(C)c1)c1ccsc1 ZINC000262329249 139270533 /nfs/dbraw/zinc/27/05/33/139270533.db2.gz GMKXENKGAALEFI-CVEARBPZSA-N 2 0 349.504 1.941 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccco1 ZINC000417307379 251154053 /nfs/dbraw/zinc/15/40/53/251154053.db2.gz HCBBMYUBHBDPMR-HUUCEWRRSA-N 2 0 338.452 1.422 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000417221002 251148280 /nfs/dbraw/zinc/14/82/80/251148280.db2.gz ZKWSQTXLVVNZKP-SJLPKXTDSA-N 2 0 339.528 1.091 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000417416934 251167057 /nfs/dbraw/zinc/16/70/57/251167057.db2.gz IZDHROINSWXXNV-IKGGRYGDSA-N 2 0 346.475 1.976 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000417423031 251168051 /nfs/dbraw/zinc/16/80/51/251168051.db2.gz QFQUODWFBLCNLS-ULQDDVLXSA-N 2 0 346.475 1.976 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417499385 251181132 /nfs/dbraw/zinc/18/11/32/251181132.db2.gz HMLCZXPVIQVJRN-AEFFLSMTSA-N 2 0 332.492 1.848 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417558332 251187496 /nfs/dbraw/zinc/18/74/96/251187496.db2.gz UTMSXANJOXVTBE-HZPDHXFCSA-N 2 0 326.485 1.400 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)C ZINC000417462510 251177257 /nfs/dbraw/zinc/17/72/57/251177257.db2.gz NWGALYNJPDQCDN-HNNXBMFYSA-N 2 0 326.485 1.114 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262382976 139275043 /nfs/dbraw/zinc/27/50/43/139275043.db2.gz YAKYLXGYDHWUSY-OQSMONGASA-N 2 0 339.524 1.957 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417563602 251189313 /nfs/dbraw/zinc/18/93/13/251189313.db2.gz HGCHYTPNIQCRRO-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@H](c1c(F)cccc1F)N(C)C ZINC000417661846 251217576 /nfs/dbraw/zinc/21/75/76/251217576.db2.gz QKGGUNQFTGISGO-YWPYICTPSA-N 2 0 340.418 1.959 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000417660578 251218045 /nfs/dbraw/zinc/21/80/45/251218045.db2.gz NHDOFOCJGNIVCZ-FZMZJTMJSA-N 2 0 328.407 1.994 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)ccc1F ZINC000417665492 251219978 /nfs/dbraw/zinc/21/99/78/251219978.db2.gz YUUHMXQMEQHDPM-WMLDXEAASA-N 2 0 334.439 1.781 20 0 EDADRP COCC1(C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000262418160 139277686 /nfs/dbraw/zinc/27/76/86/139277686.db2.gz UMGGNVRWMVKODJ-UHFFFAOYSA-N 2 0 325.497 1.775 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000417633903 251209864 /nfs/dbraw/zinc/20/98/64/251209864.db2.gz YELRJLQWFFDPHC-HNNXBMFYSA-N 2 0 340.537 1.741 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH2+]C)C2)[C@H](C)C1 ZINC000417674503 251225143 /nfs/dbraw/zinc/22/51/43/251225143.db2.gz ZOPLCFUICSEPFB-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N[C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000417721467 251242329 /nfs/dbraw/zinc/24/23/29/251242329.db2.gz AKQOYUGVZASGHH-HZPDHXFCSA-N 2 0 333.480 1.234 20 0 EDADRP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417830509 251288227 /nfs/dbraw/zinc/28/82/27/251288227.db2.gz QDNUFIUJRCAEFX-DXBFTMOHSA-N 2 0 326.510 1.348 20 0 EDADRP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417830510 251288678 /nfs/dbraw/zinc/28/86/78/251288678.db2.gz QDNUFIUJRCAEFX-LBEMJPCMSA-N 2 0 326.510 1.348 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000417805630 251277338 /nfs/dbraw/zinc/27/73/38/251277338.db2.gz HVUVHDHLOABUCI-INIZCTEOSA-N 2 0 328.501 1.548 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262506335 139283117 /nfs/dbraw/zinc/28/31/17/139283117.db2.gz BMSYKAMQJSZNBW-MSOLQXFVSA-N 2 0 346.519 1.684 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417992120 251319590 /nfs/dbraw/zinc/31/95/90/251319590.db2.gz LURFNMRSYBZANL-FHLIZLRMSA-N 2 0 346.475 1.050 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418437181 251370429 /nfs/dbraw/zinc/37/04/29/251370429.db2.gz CQEVTLASJHLGGQ-IEBWSBKVSA-N 2 0 348.491 1.440 20 0 EDADRP Cc1cc(NC(=O)[C@H](C)[NH3+])n([C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000262577500 139287937 /nfs/dbraw/zinc/28/79/37/139287937.db2.gz PATDZNFWGTZGMB-HOCLYGCPSA-N 2 0 327.432 1.924 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000418584054 251379309 /nfs/dbraw/zinc/37/93/09/251379309.db2.gz XEPBAGYCOBLTLY-RHSMWYFYSA-N 2 0 336.455 1.897 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CCCC[NH3+])C1 ZINC000418678515 251384742 /nfs/dbraw/zinc/38/47/42/251384742.db2.gz VRTMCESRTWFLRT-PMPSAXMXSA-N 2 0 326.485 1.399 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262655213 139293603 /nfs/dbraw/zinc/29/36/03/139293603.db2.gz TZTZQZCXCXXIDN-MSOLQXFVSA-N 2 0 330.476 1.048 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000262715753 139298379 /nfs/dbraw/zinc/29/83/79/139298379.db2.gz VJHOHRBHFRGQQL-RVKKMQEKSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262722668 139298967 /nfs/dbraw/zinc/29/89/67/139298967.db2.gz GCRQSSWVQLNJKF-MAUKXSAKSA-N 2 0 333.476 1.676 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000415593020 304234970 /nfs/dbraw/zinc/23/49/70/304234970.db2.gz JALUEEVKIMUBOB-HRCADAONSA-N 2 0 344.459 1.191 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cc2)NC(=O)NC1=O ZINC000422874698 252008675 /nfs/dbraw/zinc/00/86/75/252008675.db2.gz AOSGVOSFWYAIEK-RLFYNMQTSA-N 2 0 330.432 1.491 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000422880416 252010380 /nfs/dbraw/zinc/01/03/80/252010380.db2.gz LUIBIRGFVFIYSY-MRXNPFEDSA-N 2 0 332.492 1.681 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422901182 252016277 /nfs/dbraw/zinc/01/62/77/252016277.db2.gz KNUVPULWDPCIIZ-DZGCQCFKSA-N 2 0 335.448 1.418 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423044353 252027132 /nfs/dbraw/zinc/02/71/32/252027132.db2.gz AHQBAPYUUIJODH-VXGBXAGGSA-N 2 0 329.441 1.581 20 0 EDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000423070956 252033703 /nfs/dbraw/zinc/03/37/03/252033703.db2.gz DQJIUHOKAUEBDX-VXGBXAGGSA-N 2 0 327.266 1.798 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C[C@@H](C)O1 ZINC000423321228 252046358 /nfs/dbraw/zinc/04/63/58/252046358.db2.gz FDALPDJZZVBZKM-CWLMSFPYSA-N 2 0 343.471 1.664 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423345347 252048253 /nfs/dbraw/zinc/04/82/53/252048253.db2.gz YUUZXWJSCCUKHW-GFCCVEGCSA-N 2 0 342.281 1.979 20 0 EDADRP C[C@@H]1C[N@@H+]([C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C[C@@]1(C)C[NH3+] ZINC000423507314 252056485 /nfs/dbraw/zinc/05/64/85/252056485.db2.gz JPTYCCJAAXUMBB-OAUYIBNBSA-N 2 0 337.489 1.628 20 0 EDADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])C2)c1 ZINC000422908648 252018966 /nfs/dbraw/zinc/01/89/66/252018966.db2.gz YXBONBSXNQPBAR-OSGQAZFXSA-N 2 0 333.476 1.863 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000422909492 252019856 /nfs/dbraw/zinc/01/98/56/252019856.db2.gz GCYFSWPPWKXAMQ-ROUUACIJSA-N 2 0 333.476 1.910 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423857452 252093453 /nfs/dbraw/zinc/09/34/53/252093453.db2.gz XUHFKWFKPZQJTK-NZSAHSFTSA-N 2 0 345.487 1.782 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423801322 252081159 /nfs/dbraw/zinc/08/11/59/252081159.db2.gz SUUOFCFXARXVEQ-BZSNNMDCSA-N 2 0 330.476 1.750 20 0 EDADRP Cn1cc(C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424148680 252145957 /nfs/dbraw/zinc/14/59/57/252145957.db2.gz UTWGSYNOZPXWDT-HOTGVXAUSA-N 2 0 345.491 1.445 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)[NH+]1CCC(C)CC1 ZINC000424155238 252147268 /nfs/dbraw/zinc/14/72/68/252147268.db2.gz MPNZWBLHDVYSGQ-GJZGRUSLSA-N 2 0 334.468 1.053 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424171233 252152634 /nfs/dbraw/zinc/15/26/34/252152634.db2.gz JBQYOOKKEVKODM-HNNXBMFYSA-N 2 0 336.484 1.397 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220388 252166983 /nfs/dbraw/zinc/16/69/83/252166983.db2.gz DRGHUEDXNLHXBK-MRXNPFEDSA-N 2 0 331.464 1.524 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424127064 252132564 /nfs/dbraw/zinc/13/25/64/252132564.db2.gz AAADTGWLMZFOJV-RDJZCZTQSA-N 2 0 342.447 1.235 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NCCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000424426996 252225263 /nfs/dbraw/zinc/22/52/63/252225263.db2.gz NPHBCFRODOJBPG-UHFFFAOYSA-N 2 0 333.480 1.601 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000424472375 252244102 /nfs/dbraw/zinc/24/41/02/252244102.db2.gz UYHBSLLGUSERKQ-INIZCTEOSA-N 2 0 346.475 1.629 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424474851 252244424 /nfs/dbraw/zinc/24/44/24/252244424.db2.gz JAIJOLPGRVDIQO-OKZBNKHCSA-N 2 0 330.476 1.886 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000424479924 252248753 /nfs/dbraw/zinc/24/87/53/252248753.db2.gz PMROFVAHWFQJNH-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000415620440 304240453 /nfs/dbraw/zinc/24/04/53/304240453.db2.gz ITZWCTGSLAOFAB-WMLDXEAASA-N 2 0 346.475 1.581 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415634544 304243678 /nfs/dbraw/zinc/24/36/78/304243678.db2.gz SUCITSXCQCMORH-IYBDPMFKSA-N 2 0 344.459 1.348 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000415660667 304250503 /nfs/dbraw/zinc/25/05/03/304250503.db2.gz PPSBCVORBAZBRA-WMLDXEAASA-N 2 0 346.475 1.724 20 0 EDADRP COc1cccc([C@H]2C[C@H]([NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)C2)c1 ZINC000570155693 306531821 /nfs/dbraw/zinc/53/18/21/306531821.db2.gz RPBQJNJKTVTRAT-KZNAEPCWSA-N 2 0 333.476 1.139 20 0 EDADRP C[C@@H](CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[NH+](C)C ZINC000459049088 254956064 /nfs/dbraw/zinc/95/60/64/254956064.db2.gz YJIRCVXENUUWSR-ULQDDVLXSA-N 2 0 339.528 1.137 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+]1C ZINC000487086615 255025355 /nfs/dbraw/zinc/02/53/55/255025355.db2.gz NRFQGPPCWOIINA-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccn1 ZINC000449826750 285246199 /nfs/dbraw/zinc/24/61/99/285246199.db2.gz SJCMNSFOUKNJEL-IAGOWNOFSA-N 2 0 348.491 1.723 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000492254393 255165379 /nfs/dbraw/zinc/16/53/79/255165379.db2.gz WPTQZDAIVKRCBU-QQSUMNJZSA-N 2 0 331.460 1.103 20 0 EDADRP C[NH2+]C[C@H](C)C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496264134 255372322 /nfs/dbraw/zinc/37/23/22/255372322.db2.gz NPNFMWOUAIPZOL-LZLYRXPVSA-N 2 0 349.475 1.858 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2nccn2C1 ZINC000373739455 285279492 /nfs/dbraw/zinc/27/94/92/285279492.db2.gz XWXSMCVQTKZLIE-SJORKVTESA-N 2 0 347.507 1.320 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[NH+]1CCC(C)CC1 ZINC000354444881 285276865 /nfs/dbraw/zinc/27/68/65/285276865.db2.gz PAVHJOHGHFERGU-SFHVURJKSA-N 3 0 338.540 1.593 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@](C)(CC)OC ZINC000459004467 285278520 /nfs/dbraw/zinc/27/85/20/285278520.db2.gz PPXFQIORVWRZFJ-WMZOPIPTSA-N 2 0 342.528 1.859 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868198 221199331 /nfs/dbraw/zinc/19/93/31/221199331.db2.gz UFPZFDZJUHTHDG-CQSZACIVSA-N 2 0 346.475 1.776 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417744181 285320291 /nfs/dbraw/zinc/32/02/91/285320291.db2.gz DPMPCMIKVLLAOB-IXDOHACOSA-N 2 0 339.528 1.171 20 0 EDADRP O[C@@H](C[NH+]1CCC[C@@H]1[C@@H]1CCCO1)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000375372826 285350408 /nfs/dbraw/zinc/35/04/08/285350408.db2.gz GOBJHLRTRGWFTN-NNIGNNQHSA-N 2 0 338.492 1.634 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)COc2ccccc2)CC1 ZINC000264309100 139395892 /nfs/dbraw/zinc/39/58/92/139395892.db2.gz ZLUUCFBWDZDXNO-WMZOPIPTSA-N 2 0 336.476 1.451 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000264331897 139397909 /nfs/dbraw/zinc/39/79/09/139397909.db2.gz TWYPLTGFKBJHLG-MRXNPFEDSA-N 2 0 345.491 1.820 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCCC[NH2+]C2CC2)ccc1C[NH+](C)C ZINC000415862985 304282158 /nfs/dbraw/zinc/28/21/58/304282158.db2.gz TVXHEPDVRQCSRN-UHFFFAOYSA-N 2 0 332.448 1.253 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000173812355 533246103 /nfs/dbraw/zinc/24/61/03/533246103.db2.gz IZFYNYMAGBJKPV-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381390 533647088 /nfs/dbraw/zinc/64/70/88/533647088.db2.gz IAGROUHFJLQPFY-SJORKVTESA-N 2 0 335.517 1.748 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1(C)C ZINC000571402172 306564411 /nfs/dbraw/zinc/56/44/11/306564411.db2.gz GRGXHSASRNTCQN-PXNSFDDGSA-N 2 0 349.519 1.789 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270349878 140083890 /nfs/dbraw/zinc/08/38/90/140083890.db2.gz SKGUKWACGZYHGR-KRWDZBQOSA-N 3 0 345.491 1.100 20 0 EDADRP CCn1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1=O ZINC000271399473 140290831 /nfs/dbraw/zinc/29/08/31/140290831.db2.gz URUBLADJJDUDCE-UHFFFAOYSA-N 2 0 342.447 1.282 20 0 EDADRP Cc1nnc([C@@H]2CCC[N@@H+](CCCN3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000332153050 141131691 /nfs/dbraw/zinc/13/16/91/141131691.db2.gz NKWREXQTPLHBIJ-QGZVFWFLSA-N 2 0 334.512 1.709 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000333114592 141266258 /nfs/dbraw/zinc/26/62/58/141266258.db2.gz FQZXTXYKDMQZBX-IYBDPMFKSA-N 2 0 343.475 1.430 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000333391017 141310442 /nfs/dbraw/zinc/31/04/42/141310442.db2.gz XMKZEZMJXLYIMS-ZFWWWQNUSA-N 2 0 331.464 1.846 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333630023 141347523 /nfs/dbraw/zinc/34/75/23/141347523.db2.gz ASTLWJMYLHRTHU-ZHALLVOQSA-N 2 0 337.508 1.996 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000416443770 304318987 /nfs/dbraw/zinc/31/89/87/304318987.db2.gz ZVJSFKOMHKMKLS-MJBXVCDLSA-N 2 0 340.493 1.499 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000340184696 142295698 /nfs/dbraw/zinc/29/56/98/142295698.db2.gz ZHAHDWBVGQXVTH-KRWDZBQOSA-N 2 0 337.489 1.787 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000345696531 143122752 /nfs/dbraw/zinc/12/27/52/143122752.db2.gz REJAJQAIZYRWJI-OAHLLOKOSA-N 2 0 325.403 1.792 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000346207018 143178874 /nfs/dbraw/zinc/17/88/74/143178874.db2.gz RUNLXTVLBMGZEL-BEFAXECRSA-N 2 0 341.459 1.728 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252646 143183780 /nfs/dbraw/zinc/18/37/80/143183780.db2.gz LPPKIDAYVWDXBH-IXDOHACOSA-N 2 0 339.524 1.968 20 0 EDADRP CCCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1OC ZINC000347092847 143281683 /nfs/dbraw/zinc/28/16/83/143281683.db2.gz GHGQWIBBCLVHNK-INIZCTEOSA-N 2 0 349.475 1.771 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C1 ZINC000347479902 143326834 /nfs/dbraw/zinc/32/68/34/143326834.db2.gz NILJTFFEXMNHAN-VEDBGLOESA-N 2 0 338.496 1.362 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000572856009 306601401 /nfs/dbraw/zinc/60/14/01/306601401.db2.gz UURZNMSQGQWRFJ-HUUCEWRRSA-N 2 0 326.462 1.466 20 0 EDADRP COC[C@@]1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000416788575 304349249 /nfs/dbraw/zinc/34/92/49/304349249.db2.gz BVKSEUDWRGTKRI-KRWDZBQOSA-N 2 0 326.485 1.363 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000416800346 304349599 /nfs/dbraw/zinc/34/95/99/304349599.db2.gz FNPQOGRWBWINCC-WMZOPIPTSA-N 2 0 334.464 1.357 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NC[C@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416822680 304350261 /nfs/dbraw/zinc/35/02/61/304350261.db2.gz XQDGHLWURSHORD-GXTWGEPZSA-N 2 0 338.452 1.214 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)[C@@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000416822432 304350124 /nfs/dbraw/zinc/35/01/24/304350124.db2.gz MUOVTEOWYPEPDO-WMLDXEAASA-N 2 0 334.464 1.821 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)[C@H](C)C1 ZINC000417667721 286060636 /nfs/dbraw/zinc/06/06/36/286060636.db2.gz HJYNZUADLFSDCR-QZWWFDLISA-N 2 0 340.512 1.515 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000458412816 286060717 /nfs/dbraw/zinc/06/07/17/286060717.db2.gz OPBZJCQEQGJQQH-CVEARBPZSA-N 2 0 342.528 1.763 20 0 EDADRP C[NH+](C)CC1(NC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)CCC1 ZINC000369866341 155210073 /nfs/dbraw/zinc/21/00/73/155210073.db2.gz ZCRLHKRJTWBUCQ-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000416896596 304354290 /nfs/dbraw/zinc/35/42/90/304354290.db2.gz WEAUSWNYIWBDQZ-GOSISDBHSA-N 2 0 347.507 1.231 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000353099529 149286271 /nfs/dbraw/zinc/28/62/71/149286271.db2.gz WEGFHSLCKHBJLP-CVEARBPZSA-N 2 0 338.496 1.148 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC2CC[NH+](C)CC2)CC1 ZINC000353172795 149311373 /nfs/dbraw/zinc/31/13/73/149311373.db2.gz FHYWWBMTSFWUHJ-UHFFFAOYSA-N 2 0 333.436 1.016 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)CC(C)C ZINC000416961103 304355593 /nfs/dbraw/zinc/35/55/93/304355593.db2.gz RQVLZEXSOZHEBX-JKSUJKDBSA-N 2 0 328.501 1.421 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000416968108 304356934 /nfs/dbraw/zinc/35/69/34/304356934.db2.gz IPXPGGIVROKKNY-MRXNPFEDSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@H](NC(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000416969940 304357257 /nfs/dbraw/zinc/35/72/57/304357257.db2.gz MEMOYTGWDVIDLN-DOTOQJQBSA-N 2 0 348.491 1.814 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000416974807 304359033 /nfs/dbraw/zinc/35/90/33/304359033.db2.gz LWKNLIDISGACGP-UHFFFAOYSA-N 2 0 347.507 1.183 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000369955547 155253183 /nfs/dbraw/zinc/25/31/83/155253183.db2.gz SNRQSEXWBKULCD-QGZVFWFLSA-N 2 0 346.475 1.126 20 0 EDADRP CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)C1CC[NH2+]CC1 ZINC000416979033 304360010 /nfs/dbraw/zinc/36/00/10/304360010.db2.gz WNZCJAWJKLHYEK-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](C2CCOCC2)CC1 ZINC000369979837 155263857 /nfs/dbraw/zinc/26/38/57/155263857.db2.gz OGAXENYJCKEQNO-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000356089732 150505204 /nfs/dbraw/zinc/50/52/04/150505204.db2.gz KDUVEQVQARSXJV-AWEZNQCLSA-N 2 0 340.512 1.212 20 0 EDADRP Cc1nc(N2CCC[C@@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000356169327 150539292 /nfs/dbraw/zinc/53/92/92/150539292.db2.gz HZEXNEAKBZBHMD-IYBDPMFKSA-N 2 0 347.511 1.241 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H](c2ccccc2)N2CCOCC2)C1 ZINC000417040869 304365045 /nfs/dbraw/zinc/36/50/45/304365045.db2.gz PCWIFSBUBZTNCP-SJLPKXTDSA-N 2 0 346.475 1.311 20 0 EDADRP C[C@H](C(=O)N(C)CCC[N@H+](C)CCN(C)C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356624022 150721162 /nfs/dbraw/zinc/72/11/62/150721162.db2.gz SESOWCSHFMJPPR-BRWVUGGUSA-N 2 0 326.529 1.590 20 0 EDADRP C[NH2+]CCNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417050527 304367030 /nfs/dbraw/zinc/36/70/30/304367030.db2.gz KPBBGZUEXDYRLR-UHFFFAOYSA-N 2 0 333.480 1.026 20 0 EDADRP CC1(C)CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000357341326 151001611 /nfs/dbraw/zinc/00/16/11/151001611.db2.gz KFIQCLNVXNFNGO-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000357407681 151022895 /nfs/dbraw/zinc/02/28/95/151022895.db2.gz QKYONRCYRZPHOK-RDJZCZTQSA-N 2 0 325.497 1.865 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+](C)CC1 ZINC000357734841 151131845 /nfs/dbraw/zinc/13/18/45/151131845.db2.gz WXGOOHFXZQPYHW-CABCVRRESA-N 2 0 340.537 1.740 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357823056 151162628 /nfs/dbraw/zinc/16/26/28/151162628.db2.gz AETMPDDGYWJYMU-QGZVFWFLSA-N 2 0 341.544 1.432 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000358187271 151298394 /nfs/dbraw/zinc/29/83/94/151298394.db2.gz RUSWNWFDGFDQKQ-GOSISDBHSA-N 2 0 336.524 1.536 20 0 EDADRP CC1=CC[NH+](CCNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000358190101 151299136 /nfs/dbraw/zinc/29/91/36/151299136.db2.gz NJHXZGBXKNLEBR-QGZVFWFLSA-N 2 0 338.496 1.294 20 0 EDADRP COC[C@H](C)[C@H](C)C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000360396476 152020729 /nfs/dbraw/zinc/02/07/29/152020729.db2.gz RMXOASYDRHVZBO-SZNINPNASA-N 2 0 337.508 1.674 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@H]3[C@@H](CCC[NH+]3C)C1)C2 ZINC000360571879 152102530 /nfs/dbraw/zinc/10/25/30/152102530.db2.gz RMEIFIKSPDSAKT-GPQQEZGISA-N 2 0 334.508 1.985 20 0 EDADRP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)OC ZINC000360594125 152112726 /nfs/dbraw/zinc/11/27/26/152112726.db2.gz CGQODLZVKCZSNB-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360669614 152146964 /nfs/dbraw/zinc/14/69/64/152146964.db2.gz PSWLEZONFQLDCW-KRWDZBQOSA-N 2 0 342.553 1.845 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360749444 152184641 /nfs/dbraw/zinc/18/46/41/152184641.db2.gz ZIIXMIZFJIHDOQ-BFYDXBDKSA-N 2 0 340.537 1.692 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360749564 152184751 /nfs/dbraw/zinc/18/47/51/152184751.db2.gz ZLTGSRRWXHVDTN-QGZVFWFLSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360939627 152259012 /nfs/dbraw/zinc/25/90/12/152259012.db2.gz BRZWORGGWVVUOJ-PKOBYXMFSA-N 3 0 331.508 1.524 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000361000597 152275648 /nfs/dbraw/zinc/27/56/48/152275648.db2.gz YYRSFSSKUFZXMD-NEWSRXKRSA-N 2 0 342.487 1.013 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C[NH+]1CCCC1 ZINC000417153992 304378500 /nfs/dbraw/zinc/37/85/00/304378500.db2.gz JXZOLMSGJRYGNO-JKSUJKDBSA-N 2 0 338.496 1.115 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1CN(C)CC2 ZINC000363589870 153007977 /nfs/dbraw/zinc/00/79/77/153007977.db2.gz WOCAITXTESASFA-INMHGKMJSA-N 2 0 345.491 1.766 20 0 EDADRP C[C@H](C(=O)N1CCN([C@@H]2CCOC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000363940878 153102974 /nfs/dbraw/zinc/10/29/74/153102974.db2.gz QGEYRMNDJHXMBY-VQIMIIECSA-N 2 0 343.471 1.366 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC000364196788 153170209 /nfs/dbraw/zinc/17/02/09/153170209.db2.gz RMQAKGKFTDRQMC-FHNZIMOESA-N 2 0 331.435 2.000 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H]1c1ccc(F)cc1 ZINC000364196790 153170858 /nfs/dbraw/zinc/17/08/58/153170858.db2.gz RMQAKGKFTDRQMC-SOVSAQPXSA-N 2 0 331.435 2.000 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364216130 153176126 /nfs/dbraw/zinc/17/61/26/153176126.db2.gz ASNGQKYUQISZQE-VQIMIIECSA-N 2 0 335.492 1.385 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000364349436 153213332 /nfs/dbraw/zinc/21/33/32/153213332.db2.gz AIBUUNYNMVLJBY-LTIDMASMSA-N 2 0 328.497 1.641 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417196416 304383466 /nfs/dbraw/zinc/38/34/66/304383466.db2.gz PGZNVZILXHGCJU-CEXWTWQISA-N 2 0 344.503 1.800 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000364776973 153330713 /nfs/dbraw/zinc/33/07/13/153330713.db2.gz DEHZHEXOQVOZRK-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)C1 ZINC000417226282 304385919 /nfs/dbraw/zinc/38/59/19/304385919.db2.gz ZLJXQSIELQYISH-VVLHAWIVSA-N 2 0 336.524 1.994 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1cccc(F)c1 ZINC000367656702 154216905 /nfs/dbraw/zinc/21/69/05/154216905.db2.gz FITCYKBOWPJVAJ-KRWDZBQOSA-N 2 0 334.439 1.918 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N(C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000367710609 154238644 /nfs/dbraw/zinc/23/86/44/154238644.db2.gz XWIUXANHQDMWQX-QGZVFWFLSA-N 2 0 333.476 1.721 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccccc1F)C[C@@H]1CCn2ccnc2C1 ZINC000367721197 154243574 /nfs/dbraw/zinc/24/35/74/154243574.db2.gz NYKIHPKRZIBEJN-CABCVRRESA-N 2 0 333.407 1.956 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000417375805 304395584 /nfs/dbraw/zinc/39/55/84/304395584.db2.gz ZRECHBCOXCFCRY-GJZGRUSLSA-N 2 0 336.505 1.963 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000369513401 155066621 /nfs/dbraw/zinc/06/66/21/155066621.db2.gz NPJSSUXNBJCZMI-INIZCTEOSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000371675446 156057966 /nfs/dbraw/zinc/05/79/66/156057966.db2.gz HLXQZAJGTBQYBO-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372055813 156226983 /nfs/dbraw/zinc/22/69/83/156226983.db2.gz VKASFVGPXSFESC-NCXUSEDFSA-N 3 0 341.540 1.822 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000372146599 156240275 /nfs/dbraw/zinc/24/02/75/156240275.db2.gz NJJJUJUMMSUXMP-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000372407263 156375388 /nfs/dbraw/zinc/37/53/88/156375388.db2.gz NNULECYIAXYWNK-OAHLLOKOSA-N 2 0 343.475 1.996 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000365534862 292352784 /nfs/dbraw/zinc/35/27/84/292352784.db2.gz GOIJWUYYSVXCPX-UHFFFAOYSA-N 2 0 333.476 1.933 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000417548752 304404946 /nfs/dbraw/zinc/40/49/46/304404946.db2.gz RQEZCDVBZZAINO-ZBFHGGJFSA-N 2 0 340.512 1.787 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]1 ZINC000375645883 157623720 /nfs/dbraw/zinc/62/37/20/157623720.db2.gz XLLNQTIITKRQBF-HVOFVXBASA-N 2 0 337.414 1.915 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000378211402 158110925 /nfs/dbraw/zinc/11/09/25/158110925.db2.gz PUQDIUHDTWWXQR-MAUKXSAKSA-N 2 0 327.472 1.907 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000378309826 158135576 /nfs/dbraw/zinc/13/55/76/158135576.db2.gz BXUPDVFQPUUJFK-IEBWSBKVSA-N 2 0 344.503 1.973 20 0 EDADRP Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000378321713 158140190 /nfs/dbraw/zinc/14/01/90/158140190.db2.gz UJYPKSJVGUNSBP-YZGWKJHDSA-N 2 0 331.504 1.986 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000378422084 158169087 /nfs/dbraw/zinc/16/90/87/158169087.db2.gz AQZUXZLZDXEOFI-HOCLYGCPSA-N 2 0 335.496 1.528 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)CC1 ZINC000378451573 158177918 /nfs/dbraw/zinc/17/79/18/158177918.db2.gz JYBOXCBXPPCDPA-IRXDYDNUSA-N 2 0 336.480 1.048 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000575997411 306674975 /nfs/dbraw/zinc/67/49/75/306674975.db2.gz VPZCJHRJASCWKB-MRXNPFEDSA-N 2 0 348.495 1.640 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000352213206 162053403 /nfs/dbraw/zinc/05/34/03/162053403.db2.gz FTBJCDZRMXDGRB-INIZCTEOSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000418058125 304452365 /nfs/dbraw/zinc/45/23/65/304452365.db2.gz OSGLCVTVUKYTAD-CRAIPNDOSA-N 2 0 332.492 1.917 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000075328988 287276292 /nfs/dbraw/zinc/27/62/92/287276292.db2.gz FJMLMYDKUHKOBY-SJLPKXTDSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+]2CCCCC2)C1 ZINC000078588121 287294460 /nfs/dbraw/zinc/29/44/60/287294460.db2.gz ZOIORERWABZZNM-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000418331491 304481542 /nfs/dbraw/zinc/48/15/42/304481542.db2.gz DOYDVBUPKKCIBN-QGZVFWFLSA-N 2 0 329.448 1.217 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000121998746 287376862 /nfs/dbraw/zinc/37/68/62/287376862.db2.gz PNCWOJNRDVVYLV-ZACQAIPSSA-N 2 0 325.497 1.457 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CCCCC1 ZINC000418360648 304485649 /nfs/dbraw/zinc/48/56/49/304485649.db2.gz GGAGHVJZZLHIBV-HZPDHXFCSA-N 2 0 338.496 1.291 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(OCCCOC)CC2)CC1 ZINC000122545402 222109675 /nfs/dbraw/zinc/10/96/75/222109675.db2.gz WJDJHQYHMYPKAL-UHFFFAOYSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@H](C[NH2+][C@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)N1CCOCC1 ZINC000123462214 222281374 /nfs/dbraw/zinc/28/13/74/222281374.db2.gz QOJSKGJCUDBEOT-BDXSIMOUSA-N 2 0 325.497 1.186 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000418457101 304497361 /nfs/dbraw/zinc/49/73/61/304497361.db2.gz GMKHKMUNDXSNQJ-YJBOKZPZSA-N 2 0 348.491 1.598 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000418463519 304498470 /nfs/dbraw/zinc/49/84/70/304498470.db2.gz LKJDHSMHWAWTJJ-JYJNAYRXSA-N 2 0 326.485 1.399 20 0 EDADRP [NH3+][C@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000418482002 304500928 /nfs/dbraw/zinc/50/09/28/304500928.db2.gz DHPFQOPATDNJDK-APHBMKBZSA-N 2 0 338.402 1.447 20 0 EDADRP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347218 452522893 /nfs/dbraw/zinc/52/28/93/452522893.db2.gz VYJVUUIXTXFYOT-ULQDDVLXSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)C3([NH3+])CCOCC3)c2)CCO1 ZINC000261662725 273017138 /nfs/dbraw/zinc/01/71/38/273017138.db2.gz BGOLHPDEFUKDQC-HNNXBMFYSA-N 2 0 347.459 1.031 20 0 EDADRP C[NH+](C)CCOCC[NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000231676185 267913856 /nfs/dbraw/zinc/91/38/56/267913856.db2.gz JAXRANCYRSTKHB-UHFFFAOYSA-N 2 0 329.485 1.801 20 0 EDADRP CC[NH+](CC)CCOCC[N@@H+](Cc1ccccc1)C[C@H](O)COC ZINC000273111698 273029225 /nfs/dbraw/zinc/02/92/25/273029225.db2.gz XNRXLOUEKWZMQR-IBGZPJMESA-N 2 0 338.492 1.854 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275514855 268353974 /nfs/dbraw/zinc/35/39/74/268353974.db2.gz UDCROTCNMUSOMQ-INIZCTEOSA-N 2 0 346.475 1.330 20 0 EDADRP Cc1ccn(C)c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275882593 268380827 /nfs/dbraw/zinc/38/08/27/268380827.db2.gz QPLRZZWKTHAYOB-UHFFFAOYSA-N 2 0 341.459 1.671 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274193815 273076450 /nfs/dbraw/zinc/07/64/50/273076450.db2.gz GJCYYZNQVRHUMX-LMMKCTJWSA-N 2 0 345.487 1.591 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000177545817 272941315 /nfs/dbraw/zinc/94/13/15/272941315.db2.gz ZDPDYBKQPYUDOY-IRXDYDNUSA-N 2 0 345.491 1.436 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1cccc(F)c1 ZINC000279123079 273281590 /nfs/dbraw/zinc/28/15/90/273281590.db2.gz ZVVYGUVZZHDFPI-SUMWQHHRSA-N 2 0 345.422 1.658 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000280395770 273357742 /nfs/dbraw/zinc/35/77/42/273357742.db2.gz XEHMJWBHDMWUFF-UHFFFAOYSA-N 2 0 343.475 1.607 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283942586 274020303 /nfs/dbraw/zinc/02/03/03/274020303.db2.gz JHIHAOBPGMPUEF-KRWDZBQOSA-N 2 0 348.491 1.206 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000284127898 274089696 /nfs/dbraw/zinc/08/96/96/274089696.db2.gz OBXSTGIPJCGJSA-HNNXBMFYSA-N 2 0 348.491 1.211 20 0 EDADRP C[C@@H]1C[N@@H+]([C@@H]2Cc3ccccc3[C@H]2O)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371472957 274359178 /nfs/dbraw/zinc/35/91/78/274359178.db2.gz JGKRWKWFRBDADJ-XWPNQZOQSA-N 2 0 329.488 1.603 20 0 EDADRP CC[N@H+](CCCO)[C@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270709740 276124142 /nfs/dbraw/zinc/12/41/42/276124142.db2.gz HRHPEIRMSWPKLF-AEFFLSMTSA-N 2 0 333.476 1.470 20 0 EDADRP CC1CC[NH+](CCN2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)CC1 ZINC000368396294 276197009 /nfs/dbraw/zinc/19/70/09/276197009.db2.gz BEUWBVRNPZUYOP-OALUTQOASA-N 2 0 338.540 1.055 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CCOC1 ZINC000355435738 276759303 /nfs/dbraw/zinc/75/93/03/276759303.db2.gz AAHBYPGUERELHM-KRWDZBQOSA-N 2 0 328.501 1.328 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)c2ccccc2OCC[NH+](C)C)[N@H+](C)C1 ZINC000346698246 277349911 /nfs/dbraw/zinc/34/99/11/277349911.db2.gz KJHONFFMGVAJSV-CVEARBPZSA-N 2 0 349.475 1.418 20 0 EDADRP CC(C)C[N@@H+]1CCCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000368988445 277389818 /nfs/dbraw/zinc/38/98/18/277389818.db2.gz FCBIAGWWESWIQS-INIZCTEOSA-N 2 0 333.480 1.612 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347704133 277479607 /nfs/dbraw/zinc/47/96/07/277479607.db2.gz REMMTZDBTWMZAU-MRXNPFEDSA-N 2 0 347.507 1.540 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000130754645 278021341 /nfs/dbraw/zinc/02/13/41/278021341.db2.gz KDXRLILJDSBKAJ-AYBZRNKSSA-N 2 0 348.491 1.261 20 0 EDADRP CS[C@@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1N(C)C ZINC000337318960 278154594 /nfs/dbraw/zinc/15/45/94/278154594.db2.gz NJIMMOMJFQMAEF-DLBZAZTESA-N 2 0 328.570 1.380 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000333580281 278548059 /nfs/dbraw/zinc/54/80/59/278548059.db2.gz UBRWRNSCYNWXDW-SJORKVTESA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000457811762 279127750 /nfs/dbraw/zinc/12/77/50/279127750.db2.gz OBFUFPANSHNNDU-HZPDHXFCSA-N 2 0 328.501 1.109 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000359556325 279177775 /nfs/dbraw/zinc/17/77/75/279177775.db2.gz VLXRVVIQVAORKA-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCSC1 ZINC000361916394 279328879 /nfs/dbraw/zinc/32/88/79/279328879.db2.gz QCCCVTUGOCZDJH-CVEARBPZSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433451190 288162680 /nfs/dbraw/zinc/16/26/80/288162680.db2.gz BIUFZSMEDCUBOA-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000287193987 288177347 /nfs/dbraw/zinc/17/73/47/288177347.db2.gz OGCXOXPVLYRMQX-SJORKVTESA-N 2 0 348.491 1.215 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000495913359 280013118 /nfs/dbraw/zinc/01/31/18/280013118.db2.gz QBSIRCTUSQDCQR-FUHWJXTLSA-N 2 0 336.480 1.133 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000157338602 280323176 /nfs/dbraw/zinc/32/31/76/280323176.db2.gz RJDFZKJYBWRSLG-WBVHZDCISA-N 2 0 325.497 1.628 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C)cc1 ZINC000123916525 280944750 /nfs/dbraw/zinc/94/47/50/280944750.db2.gz APGAQCJKBRQJKZ-AEFFLSMTSA-N 2 0 336.480 1.210 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000378206503 292660598 /nfs/dbraw/zinc/66/05/98/292660598.db2.gz CQCBLOODILFAHP-HKUYNNGSSA-N 2 0 333.476 1.730 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000290207055 288858019 /nfs/dbraw/zinc/85/80/19/288858019.db2.gz RTVGXMQJEZLUFN-MOPGFXCFSA-N 2 0 344.503 1.703 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000290218000 288860085 /nfs/dbraw/zinc/86/00/85/288860085.db2.gz QOSGTKQIXVYMAY-IRXDYDNUSA-N 2 0 345.491 1.084 20 0 EDADRP CC(C[NH+]1CC[C@@H](n2cccn2)C1)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291688120 289150836 /nfs/dbraw/zinc/15/08/36/289150836.db2.gz HGHHKVAZDZJSRS-QZTJIDSGSA-N 2 0 328.464 1.910 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292036144 289244695 /nfs/dbraw/zinc/24/46/95/289244695.db2.gz DUBSFLJTEXBKBN-HZPDHXFCSA-N 2 0 332.492 1.675 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333453375 290274735 /nfs/dbraw/zinc/27/47/35/290274735.db2.gz XUNGLPPXMHTYFA-RKVPGOIHSA-N 2 0 345.491 1.904 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]C1 ZINC000423357210 293266211 /nfs/dbraw/zinc/26/62/11/293266211.db2.gz LUKDTWSOVQIEPO-LMMKCTJWSA-N 2 0 337.508 1.726 20 0 EDADRP COc1cc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc(OC)c1OC ZINC000269062723 295018508 /nfs/dbraw/zinc/01/85/08/295018508.db2.gz UPWDULIQAUBRPV-CYBMUJFWSA-N 2 0 338.448 1.820 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418577585 304514880 /nfs/dbraw/zinc/51/48/80/304514880.db2.gz ILBNPSMCPVDFFM-JKSUJKDBSA-N 3 0 327.517 1.171 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418617748 304519835 /nfs/dbraw/zinc/51/98/35/304519835.db2.gz IKSQUNZSGGNOQQ-PBHICJAKSA-N 2 0 340.512 1.238 20 0 EDADRP C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000365375008 300311088 /nfs/dbraw/zinc/31/10/88/300311088.db2.gz DCZCAVNEJBLMFT-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000419642162 447313446 /nfs/dbraw/zinc/31/34/46/447313446.db2.gz FNJQDBOOYBDERZ-UONOGXRCSA-N 2 0 334.464 1.086 20 0 EDADRP O=c1[nH]c(CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)nc2ccccc21 ZINC000420296308 304745098 /nfs/dbraw/zinc/74/50/98/304745098.db2.gz DEYFUVNEXPZPFO-OAHLLOKOSA-N 2 0 341.459 1.453 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420377922 304753677 /nfs/dbraw/zinc/75/36/77/304753677.db2.gz SWANOPKVPMCSJR-KGLIPLIRSA-N 2 0 325.478 1.587 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000293757059 303013897 /nfs/dbraw/zinc/01/38/97/303013897.db2.gz WTMWQKHLBFKDJZ-UHFFFAOYSA-N 2 0 332.492 1.832 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)c1cnn(-c2ccncc2)c1 ZINC000295045523 303167137 /nfs/dbraw/zinc/16/71/37/303167137.db2.gz GFRGGFQYWDGQDN-INIZCTEOSA-N 2 0 331.420 1.354 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000414863506 447332885 /nfs/dbraw/zinc/33/28/85/447332885.db2.gz BYNITKFQEBPEIF-MRXNPFEDSA-N 2 0 344.459 1.289 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000261616923 303632023 /nfs/dbraw/zinc/63/20/23/303632023.db2.gz FLVWLKNSPRETHU-SFHVURJKSA-N 2 0 331.460 1.708 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)C(C)C ZINC000419670664 447336223 /nfs/dbraw/zinc/33/62/23/447336223.db2.gz XIGALWKYFIZFGD-INIZCTEOSA-N 2 0 340.512 1.245 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000414877154 447338425 /nfs/dbraw/zinc/33/84/25/447338425.db2.gz FPSHCZHAGJRCTD-INIZCTEOSA-N 2 0 342.443 1.207 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414875751 447339157 /nfs/dbraw/zinc/33/91/57/447339157.db2.gz JMQOIXPPUNHFIJ-CYBMUJFWSA-N 2 0 332.448 1.117 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000414873033 447337093 /nfs/dbraw/zinc/33/70/93/447337093.db2.gz GKVXUWRIQUUDAI-UHFFFAOYSA-N 2 0 344.459 1.609 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000391026397 303850621 /nfs/dbraw/zinc/85/06/21/303850621.db2.gz SJFIXODMLUXMRZ-IEBWSBKVSA-N 2 0 344.503 1.309 20 0 EDADRP CO[C@]1(C)C[C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795914 303915571 /nfs/dbraw/zinc/91/55/71/303915571.db2.gz KBIYJSHXSDPVTH-MAUKXSAKSA-N 2 0 325.497 1.769 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423048026 304883967 /nfs/dbraw/zinc/88/39/67/304883967.db2.gz HLZJMGGPUXHZKQ-DZGCQCFKSA-N 2 0 341.452 1.583 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000423048582 304884070 /nfs/dbraw/zinc/88/40/70/304884070.db2.gz ISIXVSUOOWRIJN-AWEZNQCLSA-N 2 0 325.478 1.834 20 0 EDADRP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@@H]1CCC[NH2+]1 ZINC000423096664 304885819 /nfs/dbraw/zinc/88/58/19/304885819.db2.gz HZDHXTBIMAHHCF-JSGCOSHPSA-N 2 0 345.896 1.739 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423098663 304885949 /nfs/dbraw/zinc/88/59/49/304885949.db2.gz DEIHROMESZZCGM-UONOGXRCSA-N 2 0 345.534 1.866 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000423717940 304905747 /nfs/dbraw/zinc/90/57/47/304905747.db2.gz APULOUSHJOADRY-UHFFFAOYSA-N 3 0 332.492 1.568 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)cc1 ZINC000423730054 304906507 /nfs/dbraw/zinc/90/65/07/304906507.db2.gz NEFXLNLBVZZQSX-HNNXBMFYSA-N 2 0 327.432 1.478 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423752356 304908331 /nfs/dbraw/zinc/90/83/31/304908331.db2.gz CBXOXNCITDMRFY-QGZVFWFLSA-N 2 0 347.459 1.468 20 0 EDADRP C[C@H]1COc2ccccc2CN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423888254 304913737 /nfs/dbraw/zinc/91/37/37/304913737.db2.gz WNBJDCMKQWMRCB-HNNXBMFYSA-N 2 0 331.460 1.999 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414897675 447347812 /nfs/dbraw/zinc/34/78/12/447347812.db2.gz CCWIXXOXNIMFTQ-CQSZACIVSA-N 2 0 344.459 1.419 20 0 EDADRP O=C(CN1CCC[NH2+]CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430605637 305058388 /nfs/dbraw/zinc/05/83/88/305058388.db2.gz TVBPWVJDPCKZQQ-UHFFFAOYSA-N 2 0 330.476 1.194 20 0 EDADRP COc1ccc(OCCC[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000430604566 305058461 /nfs/dbraw/zinc/05/84/61/305058461.db2.gz NVLVNJWRVKEOEK-HNNXBMFYSA-N 2 0 335.448 1.251 20 0 EDADRP Cc1cccc(C)c1OCCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430608865 305058481 /nfs/dbraw/zinc/05/84/81/305058481.db2.gz GJIAZEMUSKNHIX-QGZVFWFLSA-N 2 0 333.476 1.859 20 0 EDADRP [NH3+]C1CC[NH+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000430659798 305061729 /nfs/dbraw/zinc/06/17/29/305061729.db2.gz BXGULXCJNFEIGG-UHFFFAOYSA-N 2 0 334.439 1.288 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccccc1 ZINC000430917267 305068022 /nfs/dbraw/zinc/06/80/22/305068022.db2.gz YGENKYLLEIGTLG-MSOLQXFVSA-N 2 0 349.475 1.191 20 0 EDADRP [NH3+]C[C@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430938608 305069441 /nfs/dbraw/zinc/06/94/41/305069441.db2.gz INBHXGQXBJRWHW-MRXNPFEDSA-N 2 0 348.516 1.455 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000430944853 305069809 /nfs/dbraw/zinc/06/98/09/305069809.db2.gz VATVJDAKKGFOQP-HLLBOEOZSA-N 2 0 325.497 1.757 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000430957195 305070755 /nfs/dbraw/zinc/07/07/55/305070755.db2.gz REEMQAHHMAPJFM-CQSZACIVSA-N 2 0 332.448 1.332 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC(=O)NCc1cccs1 ZINC000431014956 305072847 /nfs/dbraw/zinc/07/28/47/305072847.db2.gz QFLJPTJGAUWQAB-UHFFFAOYSA-N 2 0 336.461 1.149 20 0 EDADRP CCOCc1ccccc1CNC(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431029552 305073088 /nfs/dbraw/zinc/07/30/88/305073088.db2.gz FCFURENHZKXWJP-UHFFFAOYSA-N 2 0 345.487 1.915 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)COC2C[NH2+]C2)c2ccccc2)CC1 ZINC000431058710 305074088 /nfs/dbraw/zinc/07/40/88/305074088.db2.gz NYALKTJLIRGJOF-SFHVURJKSA-N 2 0 331.460 1.564 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCCC[NH+]2CCCC2)CCCO1 ZINC000431205109 305076604 /nfs/dbraw/zinc/07/66/04/305076604.db2.gz XDIYXWPLCODDQK-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@@H](CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)N1CC[NH+](C)CC1 ZINC000431801456 305083103 /nfs/dbraw/zinc/08/31/03/305083103.db2.gz ZZBAANFDMNZYBO-WMZOPIPTSA-N 2 0 332.492 1.432 20 0 EDADRP CC[NH+]1CCC(N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000432867128 305096449 /nfs/dbraw/zinc/09/64/49/305096449.db2.gz UYVIIXWLKTXCDT-UHFFFAOYSA-N 2 0 339.505 1.853 20 0 EDADRP COc1ccc(CN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC000433121563 305101125 /nfs/dbraw/zinc/10/11/25/305101125.db2.gz SBHFQXPQYGUESN-UHFFFAOYSA-N 2 0 349.475 1.866 20 0 EDADRP CCN(Cc1ccc2c(c1)OCO2)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130102 305101301 /nfs/dbraw/zinc/10/13/01/305101301.db2.gz QPHIKZGFFZUSDC-UHFFFAOYSA-N 2 0 347.459 1.967 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000433142389 305101508 /nfs/dbraw/zinc/10/15/08/305101508.db2.gz UBINBOLITVZKEL-UHFFFAOYSA-N 3 0 336.524 1.713 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCn2cnc3ccccc32)CC1 ZINC000433145638 305101699 /nfs/dbraw/zinc/10/16/99/305101699.db2.gz IIUIHAOIDAWKHZ-UHFFFAOYSA-N 2 0 343.475 1.746 20 0 EDADRP CCNC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433145440 305101725 /nfs/dbraw/zinc/10/17/25/305101725.db2.gz HGYNVEOLCWLSQS-UHFFFAOYSA-N 2 0 332.448 1.578 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433174689 305102331 /nfs/dbraw/zinc/10/23/31/305102331.db2.gz JYDOHBFVUFDBHI-UHFFFAOYSA-N 3 0 332.492 1.933 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@@H+]1CCCC[C@H]1C ZINC000433387916 305107549 /nfs/dbraw/zinc/10/75/49/305107549.db2.gz SHNHSHZXGDTRDD-OWCLPIDISA-N 2 0 333.480 1.800 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000435376141 305139349 /nfs/dbraw/zinc/13/93/49/305139349.db2.gz PTBOXMITYFRCJE-HIFRSBDPSA-N 2 0 335.448 1.379 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000441020910 305216704 /nfs/dbraw/zinc/21/67/04/305216704.db2.gz PCQAZAIZRQJYFP-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP CCOC(=O)CNC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000441119623 305217571 /nfs/dbraw/zinc/21/75/71/305217571.db2.gz OQQXARDOLNBUKK-INIZCTEOSA-N 2 0 339.480 1.252 20 0 EDADRP O=C(CN1CC[C@@H](C[NH+]2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441448679 305222069 /nfs/dbraw/zinc/22/20/69/305222069.db2.gz NFEUHFXOMYTOGA-KRWDZBQOSA-N 2 0 348.535 1.537 20 0 EDADRP COc1ccc(NC(=O)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443055894 305234248 /nfs/dbraw/zinc/23/42/48/305234248.db2.gz BXULOGXTADARAO-CYBMUJFWSA-N 2 0 334.420 1.404 20 0 EDADRP C[C@H]1CN(Cc2ccccc2NC(=O)[C@@H]2C[NH2+]CCO2)C[C@H](C)O1 ZINC000446267037 305262029 /nfs/dbraw/zinc/26/20/29/305262029.db2.gz ZORNUXAJAZUYKD-ZQIUZPCESA-N 2 0 333.432 1.223 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)Cc1ccccc1 ZINC000446572163 305267098 /nfs/dbraw/zinc/26/70/98/305267098.db2.gz MSWHGSNLUCMBNI-SFHVURJKSA-N 2 0 348.491 1.181 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000446576279 305267196 /nfs/dbraw/zinc/26/71/96/305267196.db2.gz FROOCQLHKRFDRO-UHFFFAOYSA-N 2 0 348.491 1.711 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C(C)C)C2)C1 ZINC000446719817 305269942 /nfs/dbraw/zinc/26/99/42/305269942.db2.gz JXGDSOTVHFHCQO-DLBZAZTESA-N 2 0 325.497 1.437 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447957264 305289540 /nfs/dbraw/zinc/28/95/40/305289540.db2.gz XXFYARJJWYJUMK-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000448253062 305294673 /nfs/dbraw/zinc/29/46/73/305294673.db2.gz VIJHWMYNYHZRJA-CVEARBPZSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)COC2CCC([NH3+])CC2)([NH+](C)C)C1 ZINC000449101683 305306590 /nfs/dbraw/zinc/30/65/90/305306590.db2.gz VBUVXGACOJGYQF-USSHROBNSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449325756 305311456 /nfs/dbraw/zinc/31/14/56/305311456.db2.gz PGZXGNFGZRINDW-LJQANCHMSA-N 2 0 331.460 1.146 20 0 EDADRP O=C(C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1)NC1CC[NH+](C2CC2)CC1 ZINC000451609651 305356169 /nfs/dbraw/zinc/35/61/69/305356169.db2.gz NWJVXTBFUDTIMK-HKUYNNGSSA-N 2 0 335.492 1.116 20 0 EDADRP O=c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc(C2CC2)[nH]1 ZINC000459298805 305516776 /nfs/dbraw/zinc/51/67/76/305516776.db2.gz KPKHEAIOVPOOJU-UHFFFAOYSA-N 2 0 332.448 1.604 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)NCC3([NH3+])CCCCCC3)C2)nn1 ZINC000515620926 305725483 /nfs/dbraw/zinc/72/54/83/305725483.db2.gz OJPHOMLAYFSSPX-OAHLLOKOSA-N 2 0 349.483 1.135 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000414919412 447357698 /nfs/dbraw/zinc/35/76/98/447357698.db2.gz UTVKKYRDYFJVQV-SFHVURJKSA-N 2 0 330.476 1.587 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000414928889 447360741 /nfs/dbraw/zinc/36/07/41/447360741.db2.gz NRVRZVWPQLXCNY-GOSISDBHSA-N 2 0 338.540 1.151 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000414945775 447367164 /nfs/dbraw/zinc/36/71/64/447367164.db2.gz SCRVZTKHAMUDBP-MLGOLLRUSA-N 2 0 342.443 1.012 20 0 EDADRP C[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C(C)(C)C1 ZINC000536589389 306023420 /nfs/dbraw/zinc/02/34/20/306023420.db2.gz BCZPUSNYXYQKMA-KRWDZBQOSA-N 2 0 330.476 1.846 20 0 EDADRP Cc1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)nn1[C@@H](C)C1CC1 ZINC000538621462 306031146 /nfs/dbraw/zinc/03/11/46/306031146.db2.gz DCRPINBRXYTZRB-HNNXBMFYSA-N 2 0 335.496 1.728 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c[nH]1 ZINC000539864188 306037984 /nfs/dbraw/zinc/03/79/84/306037984.db2.gz UKQLIAHHBFLJPJ-INIZCTEOSA-N 2 0 334.464 1.402 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000541854782 306048021 /nfs/dbraw/zinc/04/80/21/306048021.db2.gz IZUDRLYCOFJCCJ-UHFFFAOYSA-N 2 0 348.491 1.914 20 0 EDADRP Cc1nnc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000544797252 306079050 /nfs/dbraw/zinc/07/90/50/306079050.db2.gz DBBAKEULSFVFRD-NSHDSACASA-N 2 0 328.486 1.042 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@]2(O)CC[NH+](C)C2)C1 ZINC000545176078 306081212 /nfs/dbraw/zinc/08/12/12/306081212.db2.gz YMDIFAGYMNVFNA-YJBOKZPZSA-N 2 0 340.512 1.253 20 0 EDADRP O=C(CCc1ncc[nH]1)NCc1ccc(CN2CCOCC2)cc1 ZINC000554217977 306189790 /nfs/dbraw/zinc/18/97/90/306189790.db2.gz IGSQSAVXZXBPOZ-UHFFFAOYSA-N 2 0 328.416 1.491 20 0 EDADRP CC[NH+]1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)[C@@H](C)C1 ZINC000554752474 306197406 /nfs/dbraw/zinc/19/74/06/306197406.db2.gz BZAUDWHAUBOBIM-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP CCCc1ncc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000556767268 306216935 /nfs/dbraw/zinc/21/69/35/306216935.db2.gz JZPPRUNRQPGFGV-UHFFFAOYSA-N 2 0 325.457 1.262 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000557136073 306224863 /nfs/dbraw/zinc/22/48/63/306224863.db2.gz XWVRDAXLVZACNY-MAUKXSAKSA-N 2 0 346.475 1.835 20 0 EDADRP O=S(=O)(NCC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)c1ccccc1 ZINC000557338110 306227503 /nfs/dbraw/zinc/22/75/03/306227503.db2.gz TXSMXQLVKOJKCC-KRWDZBQOSA-N 2 0 337.489 1.429 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C ZINC000414946842 447369455 /nfs/dbraw/zinc/36/94/55/447369455.db2.gz TYZINSHIPBUQQG-RHSMWYFYSA-N 2 0 346.475 1.580 20 0 EDADRP COC[C@]1(CNCc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC[NH2+]1 ZINC000414949220 447370682 /nfs/dbraw/zinc/37/06/82/447370682.db2.gz ZENDIGHUEYSJAF-QGZVFWFLSA-N 2 0 338.521 1.768 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@@H]1O ZINC000426150184 447396412 /nfs/dbraw/zinc/39/64/12/447396412.db2.gz DKCSUSCRXGLGSR-ZBFHGGJFSA-N 2 0 337.489 1.095 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419779592 447408015 /nfs/dbraw/zinc/40/80/15/447408015.db2.gz PLERDHWPDGAHHU-CQSZACIVSA-N 2 0 338.496 1.001 20 0 EDADRP COCC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000378206505 447408168 /nfs/dbraw/zinc/40/81/68/447408168.db2.gz CQCBLOODILFAHP-IEBWSBKVSA-N 2 0 333.476 1.730 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC([C@@H](C)[NH3+])CC2)ccc1C[NH+](C)C ZINC000415393704 447414379 /nfs/dbraw/zinc/41/43/79/447414379.db2.gz ZNJGFWQMDQEJPW-CQSZACIVSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CC1 ZINC000422234540 447415689 /nfs/dbraw/zinc/41/56/89/447415689.db2.gz DMGCBWBFFNZPRU-UYSNPLJNSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000422235460 447415908 /nfs/dbraw/zinc/41/59/08/447415908.db2.gz FXVPWKAETPEXND-GTPINHCMSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000419804600 447423811 /nfs/dbraw/zinc/42/38/11/447423811.db2.gz FYRNFHAEFZVDFF-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccccc1F ZINC000057157390 441093870 /nfs/dbraw/zinc/09/38/70/441093870.db2.gz SVMIUQRNIZTIBR-UHFFFAOYSA-N 2 0 339.455 1.937 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccn(-c2ccccc2)n1 ZINC000104533358 441197604 /nfs/dbraw/zinc/19/76/04/441197604.db2.gz AWSXLVHIOCWQSD-UHFFFAOYSA-N 2 0 329.448 1.438 20 0 EDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000048616438 441319400 /nfs/dbraw/zinc/31/94/00/441319400.db2.gz FWCVBTVAJIXBCX-UHFFFAOYSA-N 2 0 346.475 1.679 20 0 EDADRP CCO[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C12CCC2 ZINC000074604956 441448672 /nfs/dbraw/zinc/44/86/72/441448672.db2.gz VZHWXDUAAOGRAV-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000052002469 441431260 /nfs/dbraw/zinc/43/12/60/441431260.db2.gz ZEFGWMYMPKVLCC-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP C[N@H+](CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C1CC1 ZINC000066923967 441588515 /nfs/dbraw/zinc/58/85/15/441588515.db2.gz KTCBWDTURDQUJX-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000113404451 441606992 /nfs/dbraw/zinc/60/69/92/441606992.db2.gz CQKZMYWPMUOMNO-KRWDZBQOSA-N 2 0 340.512 1.663 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000158189486 441703593 /nfs/dbraw/zinc/70/35/93/441703593.db2.gz KLOVHQALLGMSAR-KBPBESRZSA-N 2 0 325.478 1.587 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158761893 441762585 /nfs/dbraw/zinc/76/25/85/441762585.db2.gz PGPYASMSEZNPBS-AEFFLSMTSA-N 3 0 336.524 1.392 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+]C2(c3ccccc3)CC2)C1 ZINC000077378013 441767507 /nfs/dbraw/zinc/76/75/07/441767507.db2.gz SBKGEJCAWCVZDV-SFHVURJKSA-N 2 0 345.487 1.738 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068277483 441767566 /nfs/dbraw/zinc/76/75/66/441767566.db2.gz UIHOLANFPWRUEW-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP CC1(C)CC(NC(=O)NCCCC[NH+]2CCOCC2)CC(C)(C)[NH2+]1 ZINC000042910764 441797585 /nfs/dbraw/zinc/79/75/85/441797585.db2.gz DUWUNOKVDHGANB-UHFFFAOYSA-N 2 0 340.512 1.707 20 0 EDADRP CS[C@@H]1CCC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000077835228 441875129 /nfs/dbraw/zinc/87/51/29/441875129.db2.gz DXIIRZOYXVYJRN-LSDHHAIUSA-N 2 0 330.542 1.795 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000173951964 441868401 /nfs/dbraw/zinc/86/84/01/441868401.db2.gz HYSIHRURRSJOGO-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000077825843 441871731 /nfs/dbraw/zinc/87/17/31/441871731.db2.gz OCVMIOZOYCUPLD-INIZCTEOSA-N 2 0 348.491 1.263 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[C@H]1[NH3+] ZINC000415440354 447442411 /nfs/dbraw/zinc/44/24/11/447442411.db2.gz MMJBWBVRZTWMSR-JLZZUVOBSA-N 2 0 344.459 1.370 20 0 EDADRP Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174716054 441956683 /nfs/dbraw/zinc/95/66/83/441956683.db2.gz JPKNIRAYKBVESZ-QGZVFWFLSA-N 2 0 332.492 1.891 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000078987208 442003591 /nfs/dbraw/zinc/00/35/91/442003591.db2.gz QLGWTHTVHNVGNO-IYBDPMFKSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000162022046 442056682 /nfs/dbraw/zinc/05/66/82/442056682.db2.gz UPVCKCWIRBTHAS-IBGZPJMESA-N 2 0 346.519 1.879 20 0 EDADRP CC(C)[C@H](CNC(=O)C1CC[NH+](C2CC2)CC1)[NH+]1CCN(C)CC1 ZINC000426452830 447446384 /nfs/dbraw/zinc/44/63/84/447446384.db2.gz ZUGYSVUYUPGSAW-SFHVURJKSA-N 2 0 336.524 1.249 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176040699 442165816 /nfs/dbraw/zinc/16/58/16/442165816.db2.gz NTGXYIFCIVQOKI-UHFFFAOYSA-N 2 0 335.452 1.309 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)CN1CC[NH+](C)CC1 ZINC000121073586 442173784 /nfs/dbraw/zinc/17/37/84/442173784.db2.gz RBQNHQVHHUHERM-IRXDYDNUSA-N 2 0 342.491 1.801 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000170698901 442250721 /nfs/dbraw/zinc/25/07/21/442250721.db2.gz RBCFFNOQKWLOQJ-UHFFFAOYSA-N 2 0 345.491 1.998 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000152447101 442213844 /nfs/dbraw/zinc/21/38/44/442213844.db2.gz DWBIBGVWSBJDPS-UHFFFAOYSA-N 2 0 333.476 1.981 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1ccccc1 ZINC000167251705 442219668 /nfs/dbraw/zinc/21/96/68/442219668.db2.gz MRWRLUPJSKWVJS-ROUUACIJSA-N 2 0 333.476 1.954 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168708379 442224776 /nfs/dbraw/zinc/22/47/76/442224776.db2.gz DHFDSZSCTLXASJ-QZTJIDSGSA-N 2 0 331.460 1.345 20 0 EDADRP C[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000170920179 442288856 /nfs/dbraw/zinc/28/88/56/442288856.db2.gz LJNPKJPWEGPZMQ-IBGZPJMESA-N 2 0 344.503 1.262 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000177140069 442303825 /nfs/dbraw/zinc/30/38/25/442303825.db2.gz OPLVMGVTTYPEOS-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP CC(C)[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[NH+](C)C ZINC000154918148 442364403 /nfs/dbraw/zinc/36/44/03/442364403.db2.gz IRCGWEBIYYMWSZ-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000133358430 442414519 /nfs/dbraw/zinc/41/45/19/442414519.db2.gz AMZGQPWDKQAFKV-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(NC[C@@H]1CN(C2CC2)CCO1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178240071 442418206 /nfs/dbraw/zinc/41/82/06/442418206.db2.gz AFGUBOZTJTWBPW-CRAIPNDOSA-N 2 0 335.492 1.620 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000156004894 442442500 /nfs/dbraw/zinc/44/25/00/442442500.db2.gz NMDCDXRJPJJFHK-ZWKOTPCHSA-N 2 0 338.540 1.641 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000178874594 442509750 /nfs/dbraw/zinc/50/97/50/442509750.db2.gz FFGVONJAYNCHDP-SJLPKXTDSA-N 2 0 332.492 1.337 20 0 EDADRP C[NH2+]CCCC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000178777733 442483125 /nfs/dbraw/zinc/48/31/25/442483125.db2.gz UNIKLBIMLGYUCB-GOSISDBHSA-N 2 0 333.476 1.548 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000156468213 442483564 /nfs/dbraw/zinc/48/35/64/442483564.db2.gz ZQKIAMZWZUBFGQ-INIZCTEOSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000192110879 442595147 /nfs/dbraw/zinc/59/51/47/442595147.db2.gz KWCFJYNNTVOXJN-SJORKVTESA-N 2 0 332.492 1.246 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCS[C@@H](C)CC2)C1 ZINC000192183539 442609364 /nfs/dbraw/zinc/60/93/64/442609364.db2.gz YAEZCXWOIPXDSJ-JKSUJKDBSA-N 2 0 343.537 1.287 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231283 442619277 /nfs/dbraw/zinc/61/92/77/442619277.db2.gz BRJSNWLSTKNBLC-QZTJIDSGSA-N 2 0 333.476 1.734 20 0 EDADRP CCOCC[N@H+](CC)[C@H](C)C(=O)N1CCN(c2ccccn2)CC1 ZINC000179316070 442619498 /nfs/dbraw/zinc/61/94/98/442619498.db2.gz GPOOLNZBZSSFID-MRXNPFEDSA-N 2 0 334.464 1.477 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000187519505 442680190 /nfs/dbraw/zinc/68/01/90/442680190.db2.gz ZNNJDYQGWRMPSI-CVEARBPZSA-N 2 0 342.528 1.449 20 0 EDADRP COC(=O)[C@@H](C)[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCC1 ZINC000192845649 442691841 /nfs/dbraw/zinc/69/18/41/442691841.db2.gz CTVUGVMUKJJVTJ-MRXNPFEDSA-N 2 0 325.497 1.819 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000187935004 442698792 /nfs/dbraw/zinc/69/87/92/442698792.db2.gz XBGYXRYBBHQHCG-FGTMMUONSA-N 2 0 331.460 1.044 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000187947464 442699620 /nfs/dbraw/zinc/69/96/20/442699620.db2.gz NPLPENNCHPNJCF-NRSFXHEJSA-N 2 0 331.460 1.533 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1ccnn1C ZINC000193002118 442704460 /nfs/dbraw/zinc/70/44/60/442704460.db2.gz WFQNWVMDKFWRMQ-AWEZNQCLSA-N 2 0 329.448 1.562 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccnn1C ZINC000192612149 442668206 /nfs/dbraw/zinc/66/82/06/442668206.db2.gz WGIKBCFSILANGW-QGZVFWFLSA-N 2 0 327.476 1.889 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)C1(C)C ZINC000188151715 442717249 /nfs/dbraw/zinc/71/72/49/442717249.db2.gz BTQNTBQJVYPPKT-APWZRJJASA-N 2 0 337.508 1.996 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3(C)CC[NH2+]CC3)CC2)c1 ZINC000193370348 442736416 /nfs/dbraw/zinc/73/64/16/442736416.db2.gz OXPUFLAONJARLK-UHFFFAOYSA-N 2 0 344.503 1.765 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000267938633 442792957 /nfs/dbraw/zinc/79/29/57/442792957.db2.gz BAMUCHDWUTYFKW-UHFFFAOYSA-N 2 0 342.509 1.400 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000194023583 442831865 /nfs/dbraw/zinc/83/18/65/442831865.db2.gz LCFNJDSUBATKCP-HUUCEWRRSA-N 2 0 334.464 1.667 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265523155 442808729 /nfs/dbraw/zinc/80/87/29/442808729.db2.gz IGWJEYZUALGGOD-QZTJIDSGSA-N 2 0 348.491 1.618 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(CCOCCN2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000247020779 442829036 /nfs/dbraw/zinc/82/90/36/442829036.db2.gz LWFBFTBSGJAQRR-QZTJIDSGSA-N 2 0 326.529 1.055 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000265639418 442856424 /nfs/dbraw/zinc/85/64/24/442856424.db2.gz UQCIWDCMVSIDKK-HUUCEWRRSA-N 2 0 340.493 1.371 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1[NH+](C)C ZINC000268136164 442863724 /nfs/dbraw/zinc/86/37/24/442863724.db2.gz FBSZEVWRBVKOPA-CRAIPNDOSA-N 2 0 345.491 1.638 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@H]1[NH+](C)C ZINC000268161896 442878419 /nfs/dbraw/zinc/87/84/19/442878419.db2.gz IGMPSBOVDBYZEJ-SUMWQHHRSA-N 2 0 336.455 1.979 20 0 EDADRP C[N@H+](CCCO)C1CCN(CCOCC(F)(F)C(F)(F)F)CC1 ZINC000189325250 442921334 /nfs/dbraw/zinc/92/13/34/442921334.db2.gz SLLVKRUETQGKNG-UHFFFAOYSA-N 2 0 348.356 1.979 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@H]1[NH+](C)C ZINC000268274725 442927802 /nfs/dbraw/zinc/92/78/02/442927802.db2.gz XCDZYBMYCVOHRU-NVXWUHKLSA-N 2 0 348.491 1.719 20 0 EDADRP COC(=O)C[C@H]1CCC[N@@H+]1C/C=C\C[NH+]1CCC[C@H]1CC(=O)OC ZINC000255313020 443093382 /nfs/dbraw/zinc/09/33/82/443093382.db2.gz ZZIHMTIFDYWRLL-SSGMOAHOSA-N 2 0 338.448 1.598 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268768701 443102707 /nfs/dbraw/zinc/10/27/07/443102707.db2.gz RPEDTDSXASVOLP-UHFFFAOYSA-N 2 0 333.480 1.891 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNS(C)(=O)=O ZINC000268797899 443111559 /nfs/dbraw/zinc/11/15/59/443111559.db2.gz JDPDIRWEMWNOKM-GDBMZVCRSA-N 2 0 325.478 1.036 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000268801637 443112656 /nfs/dbraw/zinc/11/26/56/443112656.db2.gz JLYWPIYPBVOCKQ-ICSRJNTNSA-N 2 0 345.535 1.914 20 0 EDADRP COCC[NH2+]CC(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1 ZINC000237249472 443166326 /nfs/dbraw/zinc/16/63/26/443166326.db2.gz KXLWRVFJZABKSW-UHFFFAOYSA-N 2 0 335.448 1.644 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649475 443196813 /nfs/dbraw/zinc/19/68/13/443196813.db2.gz XVDLJYAFSZBVMU-CHWSQXEVSA-N 2 0 345.447 1.457 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000268955383 443158248 /nfs/dbraw/zinc/15/82/48/443158248.db2.gz DHDQFJBRKZKFHO-AWEZNQCLSA-N 2 0 333.432 1.751 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000245441107 443228199 /nfs/dbraw/zinc/22/81/99/443228199.db2.gz VDOJHTBMFJLROI-KSZLIROESA-N 2 0 338.540 1.449 20 0 EDADRP COCC[NH2+]CC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262889817 443215393 /nfs/dbraw/zinc/21/53/93/443215393.db2.gz GRLNVJDQKXJOAQ-HNNXBMFYSA-N 2 0 337.489 1.455 20 0 EDADRP CC(C)[C@H](CNC(=O)OC(C)(C)C)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000397493100 319134969 /nfs/dbraw/zinc/13/49/69/319134969.db2.gz BFZHBYXJLPYYFX-HNNXBMFYSA-N 2 0 343.512 1.830 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@@H]2CC[C@H](C)C2)CC1 ZINC000411645933 319191398 /nfs/dbraw/zinc/19/13/98/319191398.db2.gz LSRIYJRFHMIRSO-DOTOQJQBSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269261928 443255873 /nfs/dbraw/zinc/25/58/73/443255873.db2.gz MXGBCAFRAKQRQD-AEFFLSMTSA-N 2 0 331.460 1.488 20 0 EDADRP CC[NH+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000413849946 319293738 /nfs/dbraw/zinc/29/37/38/319293738.db2.gz ZHIZFIAWTYOLRZ-IRXDYDNUSA-N 3 0 339.528 1.138 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000269264574 443257892 /nfs/dbraw/zinc/25/78/92/443257892.db2.gz YDHOVCADDOKQBX-KRWDZBQOSA-N 2 0 349.500 1.595 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414678740 319340873 /nfs/dbraw/zinc/34/08/73/319340873.db2.gz QWYMJVOZYQCJOY-HZPDHXFCSA-N 2 0 349.450 1.737 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC000246207029 443278746 /nfs/dbraw/zinc/27/87/46/443278746.db2.gz UYLJTDRPPALWOL-WKILWMFISA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000269361204 443293652 /nfs/dbraw/zinc/29/36/52/443293652.db2.gz SOKPTWDEHZTDJT-IBGZPJMESA-N 2 0 333.476 1.675 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000269283577 443265645 /nfs/dbraw/zinc/26/56/45/443265645.db2.gz GZYQUCQIINSZQX-FQEVSTJZSA-N 2 0 344.503 1.623 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000416816811 319463988 /nfs/dbraw/zinc/46/39/88/319463988.db2.gz HMVMRBBFDPCQRA-WMZOPIPTSA-N 2 0 346.475 1.883 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416923266 319475398 /nfs/dbraw/zinc/47/53/98/319475398.db2.gz NTZZQCDNNSAZKF-WBVHZDCISA-N 2 0 334.464 1.739 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417909631 319497613 /nfs/dbraw/zinc/49/76/13/319497613.db2.gz KKDDXTLDUAKQOV-VNQPRFMTSA-N 2 0 326.485 1.052 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000264586320 443336359 /nfs/dbraw/zinc/33/63/59/443336359.db2.gz VIMXCJIMIFDNRG-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418561054 319505511 /nfs/dbraw/zinc/50/55/11/319505511.db2.gz YXMUVABRKNRTTB-DOTOQJQBSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418566796 319505549 /nfs/dbraw/zinc/50/55/49/319505549.db2.gz GDXASXKQAYDZMR-NXHRZFHOSA-N 2 0 348.466 1.960 20 0 EDADRP COC[C@]1(CNC(=O)N(CC[NH+](C)C)Cc2ccccc2)CCC[NH2+]1 ZINC000418651324 319508574 /nfs/dbraw/zinc/50/85/74/319508574.db2.gz HIJPKJCPADPNAG-LJQANCHMSA-N 2 0 348.491 1.528 20 0 EDADRP [NH3+][C@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000269534058 443340097 /nfs/dbraw/zinc/34/00/97/443340097.db2.gz XPMDMWUDOPEGHW-QGZVFWFLSA-N 2 0 331.460 1.838 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419206569 319570712 /nfs/dbraw/zinc/57/07/12/319570712.db2.gz MYGMTNMSJHZDQD-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP CCN1CCN(C(=O)CC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420315129 319609355 /nfs/dbraw/zinc/60/93/55/319609355.db2.gz KVRUIAWDYRCRCP-SFHVURJKSA-N 2 0 336.524 1.252 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000267292500 443408384 /nfs/dbraw/zinc/40/83/84/443408384.db2.gz IZIIVISOIBUYFH-UHFFFAOYSA-N 2 0 348.491 1.842 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423385096 319769140 /nfs/dbraw/zinc/76/91/40/319769140.db2.gz GIAHQLANSBOWOB-MAUKXSAKSA-N 2 0 335.448 1.467 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@@H](C)CC[NH2+]3)CCCC2)CC1 ZINC000423391228 319769804 /nfs/dbraw/zinc/76/98/04/319769804.db2.gz NJEDLOKRHFEJMS-RDJZCZTQSA-N 2 0 337.508 1.914 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NCC[NH+]2CCc3ccccc3C2)CC1 ZINC000272121770 443533306 /nfs/dbraw/zinc/53/33/06/443533306.db2.gz TZYARTQBGNHUIH-UHFFFAOYSA-N 2 0 328.460 1.606 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000433167156 319973202 /nfs/dbraw/zinc/97/32/02/319973202.db2.gz HXLXQUZDZBNRDK-CYBMUJFWSA-N 2 0 334.420 1.326 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440810161 320081089 /nfs/dbraw/zinc/08/10/89/320081089.db2.gz QVVFYTUBPQXQQQ-UHFFFAOYSA-N 2 0 333.402 1.936 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449366457 320184734 /nfs/dbraw/zinc/18/47/34/320184734.db2.gz WJDIGVNZEUTSKI-XLMAVXFVSA-N 2 0 337.508 1.580 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[NH+](C)C ZINC000454326187 320286491 /nfs/dbraw/zinc/28/64/91/320286491.db2.gz MTIZZZYXSDCKTR-KRWDZBQOSA-N 2 0 347.507 1.448 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CCCCC1 ZINC000457448287 320326243 /nfs/dbraw/zinc/32/62/43/320326243.db2.gz ZFTPGBWZWHDTTH-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000471638136 320352751 /nfs/dbraw/zinc/35/27/51/320352751.db2.gz QMOOYUHWAMIRGJ-UHFFFAOYSA-N 2 0 340.443 1.265 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000471641137 320353036 /nfs/dbraw/zinc/35/30/36/320353036.db2.gz DMRKAKNBEXRFHK-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP [NH3+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000286266400 443679585 /nfs/dbraw/zinc/67/95/85/443679585.db2.gz VVGWLILAOZAUSD-ROUUACIJSA-N 2 0 331.460 1.617 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)Nc2ccccc2CC[NH+](C)C)[N@H+](C)C1 ZINC000286347728 443695811 /nfs/dbraw/zinc/69/58/11/443695811.db2.gz XMDXUFNUQSUJIR-IRXDYDNUSA-N 2 0 348.491 1.974 20 0 EDADRP Cn1cc(C(=O)Nc2cc(C[NH+](C)C)ccn2)c([C@H]2CCC[NH2+]C2)n1 ZINC000516568011 320438640 /nfs/dbraw/zinc/43/86/40/320438640.db2.gz MLBSFUBEHHPJLV-AWEZNQCLSA-N 2 0 342.447 1.596 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](CC2CCOCC2)CC1 ZINC000516649051 320439818 /nfs/dbraw/zinc/43/98/18/320439818.db2.gz VXZUBZJQLPJVAQ-IBGZPJMESA-N 2 0 343.471 1.444 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000288151788 443786693 /nfs/dbraw/zinc/78/66/93/443786693.db2.gz ZHAHMRGGLSRPEX-DOTOQJQBSA-N 2 0 333.480 1.495 20 0 EDADRP Cc1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)ccn1 ZINC000527654158 320521769 /nfs/dbraw/zinc/52/17/69/320521769.db2.gz RNWFVRGBCXKOTD-UHFFFAOYSA-N 2 0 326.444 1.971 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000529286762 320571786 /nfs/dbraw/zinc/57/17/86/320571786.db2.gz ZQPWWUGESQJGJJ-MSOLQXFVSA-N 2 0 332.492 1.799 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000298639105 443825382 /nfs/dbraw/zinc/82/53/82/443825382.db2.gz AUWZTCVVPLWICW-RBUKOAKNSA-N 2 0 342.487 1.971 20 0 EDADRP O=C(CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)Nc1cccnc1 ZINC000530239974 320616981 /nfs/dbraw/zinc/61/69/81/320616981.db2.gz IPCBSSKZIRLCBD-KRWDZBQOSA-N 2 0 332.448 1.501 20 0 EDADRP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000277063543 443899356 /nfs/dbraw/zinc/89/93/56/443899356.db2.gz WGRMGYKJVQOHIH-KZNAEPCWSA-N 2 0 333.476 1.953 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000288638255 443941415 /nfs/dbraw/zinc/94/14/15/443941415.db2.gz XFAXETGWTANUQA-MRXNPFEDSA-N 2 0 349.475 1.204 20 0 EDADRP C[N@H+](CCN1C(=O)N[C@@H](Cc2c[nH]cn2)C1=O)Cc1ccc(F)cc1 ZINC000288561675 443919209 /nfs/dbraw/zinc/91/92/09/443919209.db2.gz ZLGPTTXVBWLSOQ-HNNXBMFYSA-N 2 0 345.378 1.144 20 0 EDADRP CCOC[C@@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285395301 443968489 /nfs/dbraw/zinc/96/84/89/443968489.db2.gz HTYGRRMQZKSZLU-IBGZPJMESA-N 2 0 335.492 1.133 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccn3ccnc3c2)C1 ZINC000299264236 443999823 /nfs/dbraw/zinc/99/98/23/443999823.db2.gz LORJCHZFPTWDOP-OCCSQVGLSA-N 2 0 329.404 1.262 20 0 EDADRP Cc1cccc(CN2CCN(C(=O)CN(C)C3(CO)CC3)CC2)c1 ZINC000285574023 444033843 /nfs/dbraw/zinc/03/38/43/444033843.db2.gz SUIMVWXRGUTPNZ-UHFFFAOYSA-N 2 0 331.460 1.096 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)N1CCN(c2ccccc2)CC1 ZINC000299474868 444055445 /nfs/dbraw/zinc/05/54/45/444055445.db2.gz BDYVGZDAGKSQEL-WMZOPIPTSA-N 2 0 330.476 1.408 20 0 EDADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)c1ccc2c[nH+]cn2c1 ZINC000550561686 320912546 /nfs/dbraw/zinc/91/25/46/320912546.db2.gz KGXZNROIIRZCFX-UHFFFAOYSA-N 2 0 346.431 1.680 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1cccnc1 ZINC000299561238 444079553 /nfs/dbraw/zinc/07/95/53/444079553.db2.gz NIUSNHQARSIIEL-UHFFFAOYSA-N 2 0 325.416 1.419 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000559834389 321016586 /nfs/dbraw/zinc/01/65/86/321016586.db2.gz HZWIVGIJGPRDGZ-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000561145259 321034989 /nfs/dbraw/zinc/03/49/89/321034989.db2.gz CUJYTLXWFUMCMM-ROUUACIJSA-N 2 0 346.475 1.329 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000562674414 321068737 /nfs/dbraw/zinc/06/87/37/321068737.db2.gz DJGCAKKMMMTORV-CVEARBPZSA-N 2 0 340.512 1.253 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000562800730 321076727 /nfs/dbraw/zinc/07/67/27/321076727.db2.gz VHUVNWUTMFCJHM-ZWKOTPCHSA-N 2 0 330.476 1.602 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCN(C)C[C@H]1C[NH3+])[NH+](C)C ZINC000562810245 321077469 /nfs/dbraw/zinc/07/74/69/321077469.db2.gz BWORGNZBCRLRLM-NUJGCVRESA-N 2 0 347.507 1.271 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC[N@@H+]1CCOC ZINC000562817425 321078538 /nfs/dbraw/zinc/07/85/38/321078538.db2.gz QTEFNTDLIYTUMJ-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000563060257 321091859 /nfs/dbraw/zinc/09/18/59/321091859.db2.gz BHAUDNPJODGJHI-RDJZCZTQSA-N 2 0 330.476 1.761 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000563075828 321094038 /nfs/dbraw/zinc/09/40/38/321094038.db2.gz ULJKEZMYAYQQSC-IKGGRYGDSA-N 2 0 325.497 1.493 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000563075830 321094043 /nfs/dbraw/zinc/09/40/43/321094043.db2.gz ULJKEZMYAYQQSC-IXDOHACOSA-N 2 0 325.497 1.493 20 0 EDADRP C[C@@H](C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1)[NH+]1CC(C)C1 ZINC000564665264 321140249 /nfs/dbraw/zinc/14/02/49/321140249.db2.gz HMDDPTKYGKKIKC-KSZLIROESA-N 2 0 336.524 1.344 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000564859970 321152310 /nfs/dbraw/zinc/15/23/10/321152310.db2.gz LJMPGLSXSUYOSG-GQIGUUNPSA-N 2 0 332.488 1.994 20 0 EDADRP COc1ccc(C[C@H](C)C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@H]3C2)cc1F ZINC000565234173 321177583 /nfs/dbraw/zinc/17/75/83/321177583.db2.gz REIYTEVWUIVJMC-DUVNUKRYSA-N 2 0 335.423 1.257 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3([NH3+])CCC3)cc2)CC1 ZINC000565539314 321190200 /nfs/dbraw/zinc/19/02/00/321190200.db2.gz XBHRLOWVUBWOIW-UHFFFAOYSA-N 2 0 345.447 1.722 20 0 EDADRP Cc1cccc(C)c1OC[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566110371 321216149 /nfs/dbraw/zinc/21/61/49/321216149.db2.gz ZXDMVXLVFJCTMF-ZWKOTPCHSA-N 2 0 335.492 1.269 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000566190034 321221849 /nfs/dbraw/zinc/22/18/49/321221849.db2.gz HVLCGLIIBMUFIA-BZUAXINKSA-N 2 0 337.508 1.865 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)N1CCC([C@@H]3OCCC[C@@H]3[NH3+])CC1)C2 ZINC000566211270 321222443 /nfs/dbraw/zinc/22/24/43/321222443.db2.gz HZWDMBXVAJKPNS-MXMSHKSQSA-N 2 0 349.519 1.885 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000567881197 321264913 /nfs/dbraw/zinc/26/49/13/321264913.db2.gz UQSBLYCJYZWVOH-LSDHHAIUSA-N 2 0 340.512 1.199 20 0 EDADRP CCn1ccnc1CN(C(=O)CCCC[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000567906915 321268335 /nfs/dbraw/zinc/26/83/35/321268335.db2.gz HNDOHOAQYHEVOV-HNNXBMFYSA-N 2 0 333.480 1.503 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000568189412 321279681 /nfs/dbraw/zinc/27/96/81/321279681.db2.gz HIOFEOXGFMHGOS-ZACQAIPSSA-N 2 0 347.507 1.922 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000568490343 321293753 /nfs/dbraw/zinc/29/37/53/321293753.db2.gz IAAFAJWOLOGXQJ-MRXNPFEDSA-N 2 0 331.464 1.739 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000568517219 321295549 /nfs/dbraw/zinc/29/55/49/321295549.db2.gz CQYKMUPREYHCHR-WMZOPIPTSA-N 3 0 345.491 1.098 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000570262693 321343025 /nfs/dbraw/zinc/34/30/25/321343025.db2.gz IFLOXDRYCPMDBH-OAHLLOKOSA-N 2 0 344.459 1.212 20 0 EDADRP Cn1cc(-c2cc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)on2)cn1 ZINC000572722668 321436775 /nfs/dbraw/zinc/43/67/75/321436775.db2.gz IFJPRWYZUXVDPF-WBVHZDCISA-N 2 0 331.420 1.403 20 0 EDADRP C[C@@H](CC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1CC[NH2+]CC1 ZINC000573486040 321456670 /nfs/dbraw/zinc/45/66/70/321456670.db2.gz XJDVPWWWVLLRKF-DOTOQJQBSA-N 2 0 325.497 1.221 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)[C@@H](C(=O)N(C)C)c1ccccc1 ZINC000289508801 444161557 /nfs/dbraw/zinc/16/15/57/444161557.db2.gz UXILAYSEPPXWGY-GOSISDBHSA-N 2 0 334.508 1.631 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000295170155 444167825 /nfs/dbraw/zinc/16/78/25/444167825.db2.gz LIVLYFKFXVXELF-GFCCVEGCSA-N 2 0 334.420 1.483 20 0 EDADRP CN(C)S(=O)(=O)CCNCC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000289541030 444168185 /nfs/dbraw/zinc/16/81/85/444168185.db2.gz JRPODADEWCIFDE-UHFFFAOYSA-N 2 0 341.521 1.626 20 0 EDADRP O=C(C[NH2+]C1CC1)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000574457815 321484782 /nfs/dbraw/zinc/48/47/82/321484782.db2.gz UVDKSAKFLVIULG-UHFFFAOYSA-N 2 0 330.432 1.203 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC1(C[NH3+])CC1 ZINC000574569125 321490076 /nfs/dbraw/zinc/49/00/76/321490076.db2.gz IKAVLHJLVWVJAH-INIZCTEOSA-N 2 0 330.476 1.442 20 0 EDADRP COc1cccc(NC(=O)CC[N@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000299734406 444128221 /nfs/dbraw/zinc/12/82/21/444128221.db2.gz ZPLSBSUQRVXBKZ-UHFFFAOYSA-N 2 0 348.491 1.593 20 0 EDADRP Nc1nc(-n2cccn2)cc(NC2CCN(c3ccccn3)CC2)[nH+]1 ZINC000301634944 444182724 /nfs/dbraw/zinc/18/27/24/444182724.db2.gz KWXXNIYEAZXQPF-UHFFFAOYSA-N 2 0 336.403 1.720 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CCSC1 ZINC000576730351 321591832 /nfs/dbraw/zinc/59/18/32/321591832.db2.gz XXIAQQJHDOEUSN-LZLYRXPVSA-N 2 0 348.516 1.560 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000305195310 444264386 /nfs/dbraw/zinc/26/43/86/444264386.db2.gz ZCZSPPHVLFVMKF-OIISXLGYSA-N 2 0 340.512 1.394 20 0 EDADRP CN(c1ccccc1CNC[C@@](C)(O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000305219200 444266046 /nfs/dbraw/zinc/26/60/46/444266046.db2.gz KLPZUBQBVZJKOW-HXUWFJFHSA-N 2 0 348.535 1.619 20 0 EDADRP C[C@@H](O)C[C@@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000305219205 444266104 /nfs/dbraw/zinc/26/61/04/444266104.db2.gz KLUYWTRERCWALK-SJORKVTESA-N 2 0 346.475 1.356 20 0 EDADRP CN1CCN(C(=O)C2CCN(Cc3cccnc3Cl)CC2)CC1 ZINC000289972986 444225534 /nfs/dbraw/zinc/22/55/34/444225534.db2.gz ZGLGZFIDJIUPAL-UHFFFAOYSA-N 2 0 336.867 1.721 20 0 EDADRP C[C@H](CNc1cc(N2CCCC[C@@H]2CO)ncn1)C[NH+]1CCCC1 ZINC000302919688 444231590 /nfs/dbraw/zinc/23/15/90/444231590.db2.gz YQRAZBAATKSKER-HZPDHXFCSA-N 2 0 333.480 1.972 20 0 EDADRP C[C@H](O)C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000303985586 444238658 /nfs/dbraw/zinc/23/86/58/444238658.db2.gz TVJPACXPBTUWEL-HNNXBMFYSA-N 2 0 337.508 1.745 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290082270 444239903 /nfs/dbraw/zinc/23/99/03/444239903.db2.gz VDWTUMHJEIEHFB-AZUAARDMSA-N 2 0 331.504 1.895 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000304094833 444242232 /nfs/dbraw/zinc/24/22/32/444242232.db2.gz DSBPSLAAKNTYHY-INIZCTEOSA-N 2 0 339.524 1.991 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000304257062 444244589 /nfs/dbraw/zinc/24/45/89/444244589.db2.gz DODZTGJKRCRQCX-WOJBJXKFSA-N 2 0 331.504 1.897 20 0 EDADRP Cc1nccn1CCCN(C)Cc1cn(Cc2cccnc2)nn1 ZINC000290454571 444282573 /nfs/dbraw/zinc/28/25/73/444282573.db2.gz MNDYPYIGNIUMCW-UHFFFAOYSA-N 2 0 325.420 1.748 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000323320939 444342540 /nfs/dbraw/zinc/34/25/40/444342540.db2.gz TXQCZFGEUSXCMU-ZXFNITATSA-N 2 0 325.497 1.611 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)C(=O)OC ZINC000324776528 444357850 /nfs/dbraw/zinc/35/78/50/444357850.db2.gz GIEFCHZJJURNGZ-QRTARXTBSA-N 2 0 339.480 1.154 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)ccn2)CC1 ZINC000578992824 321866172 /nfs/dbraw/zinc/86/61/72/321866172.db2.gz PSPVNFLTKBVZPM-GOEBONIOSA-N 2 0 331.464 1.081 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000331228199 444450991 /nfs/dbraw/zinc/45/09/91/444450991.db2.gz BUFQBZBYAXELPF-OAHLLOKOSA-N 2 0 343.475 1.853 20 0 EDADRP CC(C)OCc1ccccc1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000579210884 321899856 /nfs/dbraw/zinc/89/98/56/321899856.db2.gz MBNDYNWZNXEURP-IBGZPJMESA-N 2 0 335.492 1.310 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580079125 322007234 /nfs/dbraw/zinc/00/72/34/322007234.db2.gz JMGQKDRKSHJGDJ-AZUAARDMSA-N 2 0 342.487 1.896 20 0 EDADRP C[NH2+][C@@H](C)C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000580464403 322055577 /nfs/dbraw/zinc/05/55/77/322055577.db2.gz OTZCPDNVIIZGMF-ZDUSSCGKSA-N 2 0 339.867 1.907 20 0 EDADRP CC[NH2+]CCCNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000580882116 322107007 /nfs/dbraw/zinc/10/70/07/322107007.db2.gz LOJFELAASKLEOM-DOTOQJQBSA-N 2 0 336.455 1.818 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@H](C)O1 ZINC000581006927 322123536 /nfs/dbraw/zinc/12/35/36/322123536.db2.gz WMGSTFGBHKWQFX-SOLBZPMBSA-N 2 0 348.491 1.242 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(N3CCCC3)nc2)C[C@H](C)O1 ZINC000581006925 322123572 /nfs/dbraw/zinc/12/35/72/322123572.db2.gz WMGSTFGBHKWQFX-JZXOWHBKSA-N 2 0 348.491 1.242 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000581368280 322169181 /nfs/dbraw/zinc/16/91/81/322169181.db2.gz YLKRRNOTURZYTN-OAHLLOKOSA-N 2 0 329.404 1.397 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000343849441 444626995 /nfs/dbraw/zinc/62/69/95/444626995.db2.gz MRNHFUDCOWBYAC-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP COc1nc(C)cc(NCC2([NH+]3CCCCC3)CCN(C)CC2)n1 ZINC000329538280 444620165 /nfs/dbraw/zinc/62/01/65/444620165.db2.gz VIDYMUHWFIWVIS-UHFFFAOYSA-N 2 0 333.480 2.156 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000343894618 444651099 /nfs/dbraw/zinc/65/10/99/444651099.db2.gz VEGKGVVATJPCFD-CVEARBPZSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343920793 444670517 /nfs/dbraw/zinc/67/05/17/444670517.db2.gz ILQWYWQMGSAJKP-QWFCFKBJSA-N 2 0 347.503 1.384 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)C1 ZINC000344013420 444728164 /nfs/dbraw/zinc/72/81/64/444728164.db2.gz OYGARJFHVOFNPP-JKSUJKDBSA-N 2 0 343.537 1.383 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000341120685 444684019 /nfs/dbraw/zinc/68/40/19/444684019.db2.gz KQPQENXAPBJWMU-CABCVRRESA-N 2 0 340.512 1.658 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC2CCN(c3cc(C)nc(C)n3)CC2)C1 ZINC000334044779 444759526 /nfs/dbraw/zinc/75/95/26/444759526.db2.gz PQMYOSXOFNPWIA-INIZCTEOSA-N 2 0 346.479 1.456 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@H]1CC ZINC000342650460 444796822 /nfs/dbraw/zinc/79/68/22/444796822.db2.gz JOWCQKGQFPYAJW-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1CC ZINC000342650457 444797336 /nfs/dbraw/zinc/79/73/36/444797336.db2.gz JOWCQKGQFPYAJW-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000342656205 444799825 /nfs/dbraw/zinc/79/98/25/444799825.db2.gz RNCHQBGCOLCNQN-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCc2ccc(-n3ccnc3C)c(F)c2)N(C)C1 ZINC000344206230 444839103 /nfs/dbraw/zinc/83/91/03/444839103.db2.gz YRDFNWNFRJXRTQ-YOEHRIQHSA-N 2 0 346.406 1.655 20 0 EDADRP CC[N@H+](CCNC(=O)NCc1ccnc(N2CCOCC2)c1)C(C)C ZINC000338804261 444859596 /nfs/dbraw/zinc/85/95/96/444859596.db2.gz MDIRCDHZKAGTOB-UHFFFAOYSA-N 2 0 349.479 1.448 20 0 EDADRP Cc1nc(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)nc(N(C)C)n1 ZINC000330197960 444883882 /nfs/dbraw/zinc/88/38/82/444883882.db2.gz SNXPLYVYEOVHIB-INIZCTEOSA-N 2 0 326.448 2.323 20 0 EDADRP Cn1cc(CC[N@H+](C)[C@H]2CCC[NH+](CCc3cnn(C)c3)CC2)cn1 ZINC000338938169 444943784 /nfs/dbraw/zinc/94/37/84/444943784.db2.gz GJYOHWGTFZAQCK-IBGZPJMESA-N 2 0 344.507 1.725 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000344440292 444972941 /nfs/dbraw/zinc/97/29/41/444972941.db2.gz MZXPUPGSZCVVSN-LJQANCHMSA-N 2 0 346.519 1.775 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341668059 444940633 /nfs/dbraw/zinc/94/06/33/444940633.db2.gz VGDSUUDCTFGGSR-SJORKVTESA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000341750232 444984896 /nfs/dbraw/zinc/98/48/96/444984896.db2.gz WGLMAZRTJDLDIL-MJGOQNOKSA-N 2 0 344.503 1.513 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000343097759 445063425 /nfs/dbraw/zinc/06/34/25/445063425.db2.gz OKJRIKPASSNUOX-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]1C[C@H](C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000339273001 445129966 /nfs/dbraw/zinc/12/99/66/445129966.db2.gz FDXFLMFGFVJONM-DOTOQJQBSA-N 2 0 333.476 1.974 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@@]1(C)CCN(C(=O)C[NH+](CC)CC)C1 ZINC000337553938 445134650 /nfs/dbraw/zinc/13/46/50/445134650.db2.gz IDMDPSWNFQNLKQ-GOSISDBHSA-N 2 0 340.512 1.025 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339225750 445099542 /nfs/dbraw/zinc/09/95/42/445099542.db2.gz ICMFXLUZEFMTPN-IYBDPMFKSA-N 2 0 348.491 1.762 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC[N@@H+]1C ZINC000339495317 445146600 /nfs/dbraw/zinc/14/66/00/445146600.db2.gz WZEWVEHTPYXFTL-CHWSQXEVSA-N 2 0 338.496 1.011 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)C1 ZINC000339562883 445149833 /nfs/dbraw/zinc/14/98/33/445149833.db2.gz KQMQXZWFSBYNBU-IAGOWNOFSA-N 2 0 340.512 1.374 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000330816173 445151603 /nfs/dbraw/zinc/15/16/03/445151603.db2.gz GDXGQTZFAPHPNE-CQSZACIVSA-N 2 0 333.480 1.939 20 0 EDADRP CC[NH+]1CCN(c2nc(C)nc(N3CC[N@@H+](CC)C[C@H]3C)n2)[C@H](C)C1 ZINC000343245076 445158071 /nfs/dbraw/zinc/15/80/71/445158071.db2.gz BEXRHTBPJOUROQ-HUUCEWRRSA-N 2 0 347.511 1.241 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348099734 445268308 /nfs/dbraw/zinc/26/83/08/445268308.db2.gz CRKWBWZJZQVQTM-HUUCEWRRSA-N 2 0 337.430 1.960 20 0 EDADRP CCn1cc(CC[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)cn1 ZINC000348301817 445247794 /nfs/dbraw/zinc/24/77/94/445247794.db2.gz JBDGYRRXYQGKGI-UHFFFAOYSA-N 2 0 333.524 1.936 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)[C@@H]1C ZINC000354622113 445318503 /nfs/dbraw/zinc/31/85/03/445318503.db2.gz BGQJXFCJLKWQBL-NCOADZHNSA-N 2 0 325.497 1.580 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351701403 445279178 /nfs/dbraw/zinc/27/91/78/445279178.db2.gz XFLAXGIJAATZEV-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000348707099 445350147 /nfs/dbraw/zinc/35/01/47/445350147.db2.gz WNNXLTPUZQOTML-BRWVUGGUSA-N 2 0 325.497 1.674 20 0 EDADRP C[N@H+](C[C@H](O)COC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362486813 445407167 /nfs/dbraw/zinc/40/71/67/445407167.db2.gz LXZNWGCYLAIXOB-IRXDYDNUSA-N 2 0 327.513 1.263 20 0 EDADRP C[N@H+](C[C@@H](O)COC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000362486811 445407789 /nfs/dbraw/zinc/40/77/89/445407789.db2.gz LXZNWGCYLAIXOB-DLBZAZTESA-N 2 0 327.513 1.263 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1C ZINC000357041921 445390465 /nfs/dbraw/zinc/39/04/65/445390465.db2.gz DMNPCFOLIQNRNY-KRWDZBQOSA-N 2 0 348.491 1.885 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NCC1([NH+](C)C)CCC1)C(C)C ZINC000354790552 445390536 /nfs/dbraw/zinc/39/05/36/445390536.db2.gz MXQPFZFQHSOZMV-UHFFFAOYSA-N 2 0 340.512 1.212 20 0 EDADRP COC1(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCCC1 ZINC000359737433 445400196 /nfs/dbraw/zinc/40/01/96/445400196.db2.gz CWHXPGXMBJCFOG-UHFFFAOYSA-N 2 0 347.507 1.928 20 0 EDADRP CC1(C)CN(C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000349001721 445472148 /nfs/dbraw/zinc/47/21/48/445472148.db2.gz OVXGAVOWOULEHR-UHFFFAOYSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362563785 445441104 /nfs/dbraw/zinc/44/11/04/445441104.db2.gz CQOVJZBMTHOBDT-BZUAXINKSA-N 2 0 347.507 1.975 20 0 EDADRP Cn1nccc1[C@@H]1[C@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000348951340 445452171 /nfs/dbraw/zinc/45/21/71/445452171.db2.gz VHZSIGSRFXPMBG-RDJZCZTQSA-N 2 0 333.480 1.261 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000357167989 445464381 /nfs/dbraw/zinc/46/43/81/445464381.db2.gz USGHHODAFWSAGJ-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP COC[C@@]1(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000357272464 445518899 /nfs/dbraw/zinc/51/88/99/445518899.db2.gz MFRSMGCAWZICBM-QUCCMNQESA-N 2 0 345.487 1.783 20 0 EDADRP CC[C@@H]1C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC(=O)N1 ZINC000349151345 445524030 /nfs/dbraw/zinc/52/40/30/445524030.db2.gz OACORVFEFBOCCX-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+](C)C)cc1 ZINC000362735771 445524431 /nfs/dbraw/zinc/52/44/31/445524431.db2.gz QWVPNZKDMIPCHD-CJNGLKHVSA-N 2 0 332.448 1.713 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCc2ccccc2)C1 ZINC000362746498 445530566 /nfs/dbraw/zinc/53/05/66/445530566.db2.gz VJWNMQYIBZWYMK-NEWSRXKRSA-N 2 0 329.488 1.865 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000360026187 445533809 /nfs/dbraw/zinc/53/38/09/445533809.db2.gz XUJWQPCSGQTMGI-CABCVRRESA-N 2 0 336.480 1.561 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000362663031 445485477 /nfs/dbraw/zinc/48/54/77/445485477.db2.gz KMSHCMQBCZWBER-TZMCWYRMSA-N 2 0 346.431 1.292 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1)C1C[NH2+]C1 ZINC000357246593 445504946 /nfs/dbraw/zinc/50/49/46/445504946.db2.gz YCWWPDQEFWUXQQ-ZDUSSCGKSA-N 2 0 331.464 1.406 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000362856709 445583461 /nfs/dbraw/zinc/58/34/61/445583461.db2.gz SHXBORPCVLPBKJ-HOCLYGCPSA-N 2 0 328.526 1.405 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[C@@H](N2CCOCC2)[C@@H]1C ZINC000358167122 445609213 /nfs/dbraw/zinc/60/92/13/445609213.db2.gz PWWAQPIUEVKBGO-OWCLPIDISA-N 2 0 326.485 1.220 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000353466743 445614448 /nfs/dbraw/zinc/61/44/48/445614448.db2.gz JDFLDUJCGWEUOK-ZWKOTPCHSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@H+](CC(=O)Nc1ccc(CN2CCOCC2)cc1)CC1(O)CCC1 ZINC000353468280 445615118 /nfs/dbraw/zinc/61/51/18/445615118.db2.gz ODKGAPHCWQBDDE-UHFFFAOYSA-N 2 0 347.459 1.304 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363001438 445644951 /nfs/dbraw/zinc/64/49/51/445644951.db2.gz NNQFPVJDQRRVFG-CRAIPNDOSA-N 2 0 330.476 1.954 20 0 EDADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000353550255 445652922 /nfs/dbraw/zinc/65/29/22/445652922.db2.gz HDFSKSSWYFHBCB-KGLIPLIRSA-N 2 0 327.469 1.284 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCSC1 ZINC000360248760 445656072 /nfs/dbraw/zinc/65/60/72/445656072.db2.gz JNQZLBARQZPSDE-FMKPAKJESA-N 2 0 326.510 1.350 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCc1nccn1CC(F)(F)F ZINC000353693421 445710886 /nfs/dbraw/zinc/71/08/86/445710886.db2.gz XHBPLTKNKLSJCP-UHFFFAOYSA-N 2 0 327.310 1.836 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000349884669 445711644 /nfs/dbraw/zinc/71/16/44/445711644.db2.gz RUWVMRQYZXLYKV-SCTDSRPQSA-N 2 0 339.524 1.407 20 0 EDADRP CSC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+](C)CC1 ZINC000360687073 445722099 /nfs/dbraw/zinc/72/20/99/445722099.db2.gz ABVLFBFVCONXFT-HUUCEWRRSA-N 2 0 342.553 1.938 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CCCC[NH+](C)C ZINC000358748859 445756879 /nfs/dbraw/zinc/75/68/79/445756879.db2.gz FTQRMHUJWZTCKN-CQSZACIVSA-N 2 0 327.494 1.943 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)CC1 ZINC000361335072 445761328 /nfs/dbraw/zinc/76/13/28/445761328.db2.gz JUIRYASNQAXARX-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471455 445775479 /nfs/dbraw/zinc/77/54/79/445775479.db2.gz RCCCLWPWTGYMTJ-SJORKVTESA-N 2 0 339.524 1.970 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000353931360 445816772 /nfs/dbraw/zinc/81/67/72/445816772.db2.gz YPWUSSDYTLPLOF-GOEBONIOSA-N 2 0 328.526 1.597 20 0 EDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000361702068 445885251 /nfs/dbraw/zinc/88/52/51/445885251.db2.gz UEBQZIDNUVRJQN-GOSISDBHSA-N 2 0 335.496 1.862 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000353973499 445835360 /nfs/dbraw/zinc/83/53/60/445835360.db2.gz FIDXQDMTPICUJG-UHFFFAOYSA-N 2 0 338.496 1.437 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)cc2)CC1 ZINC000350487805 445837049 /nfs/dbraw/zinc/83/70/49/445837049.db2.gz SPLZBUDSBSSDJN-SFHVURJKSA-N 2 0 342.487 1.401 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363515971 445841106 /nfs/dbraw/zinc/84/11/06/445841106.db2.gz OAFKPGOTPZKBTC-HXUWFJFHSA-N 2 0 345.487 1.617 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]1[C@@H]1CCC[NH+]1C ZINC000363520360 445843369 /nfs/dbraw/zinc/84/33/69/445843369.db2.gz QJGKGJXQSMNCHW-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000350732453 445892086 /nfs/dbraw/zinc/89/20/86/445892086.db2.gz OCKLESHRLLQEML-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP CN(C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000582555921 325873456 /nfs/dbraw/zinc/87/34/56/325873456.db2.gz RWYBSXFKHWNJGV-SJORKVTESA-N 2 0 337.533 1.757 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000373090260 446020257 /nfs/dbraw/zinc/02/02/57/446020257.db2.gz OVUDGBRCUOGOBU-GOSISDBHSA-N 2 0 337.439 1.725 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)nc2)CC1 ZINC000582842517 325940443 /nfs/dbraw/zinc/94/04/43/325940443.db2.gz DIVBWXAYVXETSF-MQVJKMGUSA-N 2 0 343.475 1.693 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2ccc(F)cc2)CC1 ZINC000583138758 326010167 /nfs/dbraw/zinc/01/01/67/326010167.db2.gz IEBQTCLBOGRZOR-KRWDZBQOSA-N 2 0 339.455 1.181 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+](C2CC2)C1 ZINC000359222913 446052379 /nfs/dbraw/zinc/05/23/79/446052379.db2.gz JHASRIHIJRTIHL-SFHVURJKSA-N 2 0 342.487 1.971 20 0 EDADRP C[C@]1(F)CNCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000583692981 326120372 /nfs/dbraw/zinc/12/03/72/326120372.db2.gz SGKNTFCVJZJRES-MJGOQNOKSA-N 2 0 349.450 1.438 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000584111427 326202139 /nfs/dbraw/zinc/20/21/39/326202139.db2.gz DFTWARNQZILWHP-CZUORRHYSA-N 2 0 331.464 1.549 20 0 EDADRP CCN(CC)C(=O)C[N@@H+]1CCCN(CCC[NH+](CC)CC)CC1 ZINC000365206872 446078336 /nfs/dbraw/zinc/07/83/36/446078336.db2.gz ZIQKFZACZOALSW-UHFFFAOYSA-N 2 0 326.529 1.594 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccccc1 ZINC000373191248 446087526 /nfs/dbraw/zinc/08/75/26/446087526.db2.gz QASJDPNZCSWLQW-ZWKOTPCHSA-N 2 0 330.476 1.854 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]12 ZINC000351497127 446102651 /nfs/dbraw/zinc/10/26/51/446102651.db2.gz SWIJLFYYQXAANO-KBRIMQKVSA-N 2 0 327.428 1.732 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)C2=O)c1 ZINC000351498394 446102675 /nfs/dbraw/zinc/10/26/75/446102675.db2.gz VPUWSUJRBQMOOB-LSZYVWPRSA-N 2 0 345.443 1.478 20 0 EDADRP C[C@@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000373247167 446120801 /nfs/dbraw/zinc/12/08/01/446120801.db2.gz YLEPSSPWCBVFQR-VQHPVUNQSA-N 2 0 337.508 1.959 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000366344481 446165195 /nfs/dbraw/zinc/16/51/95/446165195.db2.gz FQXQGJGTTCKCSI-DSLXNQLJSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)[NH+]1CCc2ccccc2C1 ZINC000359346518 446165617 /nfs/dbraw/zinc/16/56/17/446165617.db2.gz RCGSQXZQQVTSHR-MAUKXSAKSA-N 2 0 342.487 1.969 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015202 446175184 /nfs/dbraw/zinc/17/51/84/446175184.db2.gz BSZOMIKIMUEZCN-KURKYZTESA-N 2 0 336.524 1.249 20 0 EDADRP Cc1cc(N2CCC[C@@H](NC(=O)N3CC[C@H]([NH+](C)C)C3)C2)nc(C)n1 ZINC000369775168 446153540 /nfs/dbraw/zinc/15/35/40/446153540.db2.gz WZBBVDKTGPNDPA-CVEARBPZSA-N 2 0 346.479 1.408 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000359412573 446207758 /nfs/dbraw/zinc/20/77/58/446207758.db2.gz GWLGGGMYOLSHAG-PBHICJAKSA-N 2 0 337.489 1.656 20 0 EDADRP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000373435920 446216586 /nfs/dbraw/zinc/21/65/86/446216586.db2.gz PZAZFLDKVKAFNA-GGPHIMKMSA-N 2 0 342.487 1.679 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000365470181 446222399 /nfs/dbraw/zinc/22/23/99/446222399.db2.gz YXRSTWICXQYFMC-WMZOPIPTSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000373459762 446224590 /nfs/dbraw/zinc/22/45/90/446224590.db2.gz GVWMKLXUQSBZKK-ZACQAIPSSA-N 2 0 346.537 1.680 20 0 EDADRP C[C@@H](CNC(=O)C1CC[NH+](Cc2cccnc2)CC1)[N@H+](C)C1CC1 ZINC000365550822 446251175 /nfs/dbraw/zinc/25/11/75/446251175.db2.gz UWVURAFCBUUQDX-HNNXBMFYSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365564100 446255900 /nfs/dbraw/zinc/25/59/00/446255900.db2.gz DUPXOGHKCWAOMJ-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000359552046 446287050 /nfs/dbraw/zinc/28/70/50/446287050.db2.gz BTNVVEKRGHDXTC-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000370573478 446338246 /nfs/dbraw/zinc/33/82/46/446338246.db2.gz FUWRFTFEGXAOLO-KURKYZTESA-N 2 0 339.524 1.576 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2CCCC[C@H]2O)CC1 ZINC000365834376 446362073 /nfs/dbraw/zinc/36/20/73/446362073.db2.gz ACAOBVGFCFGYHV-KZNAEPCWSA-N 2 0 337.508 1.556 20 0 EDADRP C[C@H](C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+]1CCCCCC1 ZINC000365838821 446364563 /nfs/dbraw/zinc/36/45/63/446364563.db2.gz PFUOBOYUWNBXDW-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CCNCC2(F)F)C1 ZINC000417891144 446376516 /nfs/dbraw/zinc/37/65/16/446376516.db2.gz QNVSZEHYHHMPIH-UONOGXRCSA-N 2 0 332.439 1.508 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000417915381 446384259 /nfs/dbraw/zinc/38/42/59/446384259.db2.gz SRJRYOFBBHLULO-CABCVRRESA-N 2 0 326.485 1.181 20 0 EDADRP CC(C)(CCC[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417917003 446384509 /nfs/dbraw/zinc/38/45/09/446384509.db2.gz VXTRLYKGWJMTDR-CVEARBPZSA-N 2 0 340.512 1.571 20 0 EDADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000420286805 446452396 /nfs/dbraw/zinc/45/23/96/446452396.db2.gz FQOKNDBNENSJHN-GDBMZVCRSA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000418082956 446434470 /nfs/dbraw/zinc/43/44/70/446434470.db2.gz YKPGRKOGYMHBRD-HOTGVXAUSA-N 2 0 336.505 1.641 20 0 EDADRP COC(=O)[C@H]1CCC[N@@H+]1CC[C@H](C)CC[NH+]1CCC[C@H]1C(=O)OC ZINC000411238661 446438555 /nfs/dbraw/zinc/43/85/55/446438555.db2.gz PLXCUJFCYLUGSB-MUJYYYPQSA-N 2 0 340.464 1.678 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)CC1 ZINC000366986440 446446369 /nfs/dbraw/zinc/44/63/69/446446369.db2.gz DYZZSDWUGJEHBZ-QGZVFWFLSA-N 2 0 346.523 1.654 20 0 EDADRP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423184657 446447865 /nfs/dbraw/zinc/44/78/65/446447865.db2.gz MNFWTCCMPBTQCJ-IAGOWNOFSA-N 2 0 325.497 1.773 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000420282752 446449613 /nfs/dbraw/zinc/44/96/13/446449613.db2.gz BKXDQHREWPCIPL-MRXNPFEDSA-N 2 0 348.491 1.009 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418185391 446451161 /nfs/dbraw/zinc/45/11/61/446451161.db2.gz AWDUOXYWPUSUMV-GOEBONIOSA-N 2 0 349.479 1.209 20 0 EDADRP C[C@H](NC(=O)N1CCN(C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000374829818 446409998 /nfs/dbraw/zinc/40/99/98/446409998.db2.gz VNTDUXHEFPBWKH-FUHWJXTLSA-N 2 0 330.476 1.854 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418006860 446413488 /nfs/dbraw/zinc/41/34/88/446413488.db2.gz FMPGLYAMXGJCOG-RYQLBKOJSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418015177 446416842 /nfs/dbraw/zinc/41/68/42/446416842.db2.gz PPVSHBQCZIFOTJ-BGTYHANMSA-N 2 0 330.476 1.934 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000370767700 446425738 /nfs/dbraw/zinc/42/57/38/446425738.db2.gz VQMKYEDYBDRNMC-IEBWSBKVSA-N 2 0 332.492 1.609 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423208726 446453948 /nfs/dbraw/zinc/45/39/48/446453948.db2.gz DNJQJMKVWNXGJO-DXCKQFNASA-N 2 0 337.489 1.689 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423211420 446455107 /nfs/dbraw/zinc/45/51/07/446455107.db2.gz HHCAARZWHHHKPZ-SOUVJXGZSA-N 2 0 339.505 1.990 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418199090 446455816 /nfs/dbraw/zinc/45/58/16/446455816.db2.gz MUFBNYWLAZRKQK-JKSUJKDBSA-N 2 0 340.512 1.504 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000418237852 446468255 /nfs/dbraw/zinc/46/82/55/446468255.db2.gz NLUHULZOQOYLEE-HNNXBMFYSA-N 2 0 327.432 1.828 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423328994 446489300 /nfs/dbraw/zinc/48/93/00/446489300.db2.gz MOXZKQBPKJSGGD-BZUAXINKSA-N 2 0 347.507 1.737 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c(OC)c1 ZINC000420322927 446489708 /nfs/dbraw/zinc/48/97/08/446489708.db2.gz SUUHPWFINMUNPY-OAHLLOKOSA-N 2 0 347.459 1.461 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418313625 446495615 /nfs/dbraw/zinc/49/56/15/446495615.db2.gz QWNNJBFKHKTLQO-ARFHVFGLSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418330206 446502693 /nfs/dbraw/zinc/50/26/93/446502693.db2.gz PZMYJEMWRVLKJN-UHFFFAOYSA-N 2 0 345.491 1.831 20 0 EDADRP COC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000423368592 446504823 /nfs/dbraw/zinc/50/48/23/446504823.db2.gz BFAIMCHAGBEYPX-DNVCBOLYSA-N 2 0 333.476 1.858 20 0 EDADRP Cc1cccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420338230 446508302 /nfs/dbraw/zinc/50/83/02/446508302.db2.gz XOGMDRRJWXDKKE-HOTGVXAUSA-N 2 0 326.444 1.824 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000423386391 446511873 /nfs/dbraw/zinc/51/18/73/446511873.db2.gz LEKBQSBGRLQLTI-HLLBOEOZSA-N 2 0 333.476 1.626 20 0 EDADRP C[NH2+]CCCN(C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000420383574 446558103 /nfs/dbraw/zinc/55/81/03/446558103.db2.gz BWPXXESAZQNIJE-UHFFFAOYSA-N 2 0 346.519 1.571 20 0 EDADRP O=C(NCC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418483790 446560654 /nfs/dbraw/zinc/56/06/54/446560654.db2.gz FXKOYDTXEMRDBO-RTBURBONSA-N 2 0 342.487 1.902 20 0 EDADRP COC(=O)c1ccc(F)c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420386310 446561046 /nfs/dbraw/zinc/56/10/46/446561046.db2.gz IBMPSOKEECGLPT-WBVHZDCISA-N 2 0 348.418 1.813 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000418491197 446563868 /nfs/dbraw/zinc/56/38/68/446563868.db2.gz OADLMEDRSUKIBI-CABCVRRESA-N 2 0 348.491 1.693 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)cc1 ZINC000418491199 446563941 /nfs/dbraw/zinc/56/39/41/446563941.db2.gz OADLMEDRSUKIBI-HUUCEWRRSA-N 2 0 348.491 1.693 20 0 EDADRP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347478 446523322 /nfs/dbraw/zinc/52/33/22/446523322.db2.gz GWABLBOKYAWVQF-CRAIPNDOSA-N 2 0 348.466 1.325 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)C2CCC(CO)CC2)CC1 ZINC000411404803 446523641 /nfs/dbraw/zinc/52/36/41/446523641.db2.gz ZLRVFNHPZUPUDR-UHFFFAOYSA-N 2 0 325.497 1.458 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418387982 446525006 /nfs/dbraw/zinc/52/50/06/446525006.db2.gz UPWLTOOCVRXAJZ-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423418143 446526513 /nfs/dbraw/zinc/52/65/13/446526513.db2.gz UGAGSRAHUBSZGZ-QZTJIDSGSA-N 2 0 345.491 1.802 20 0 EDADRP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350116 446528734 /nfs/dbraw/zinc/52/87/34/446528734.db2.gz RJLDOHQYKVINSV-QFBILLFUSA-N 2 0 344.503 1.406 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411414740 446529472 /nfs/dbraw/zinc/52/94/72/446529472.db2.gz BYDJDRPXHZIYTD-GOSISDBHSA-N 2 0 348.466 1.500 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418402344 446530668 /nfs/dbraw/zinc/53/06/68/446530668.db2.gz ZDNYEBDWYOERMX-LPHOPBHVSA-N 2 0 348.491 1.120 20 0 EDADRP CCCNC(=O)c1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433135128 446533504 /nfs/dbraw/zinc/53/35/04/446533504.db2.gz SWMXIZINTGETAZ-UHFFFAOYSA-N 2 0 346.475 1.968 20 0 EDADRP CC(C)([NH3+])CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418420375 446539083 /nfs/dbraw/zinc/53/90/83/446539083.db2.gz AXZTYQVNHZCDFL-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21)N1CC[NH2+]CC1 ZINC000420362173 446541305 /nfs/dbraw/zinc/54/13/05/446541305.db2.gz APYUYFSPZUYXQA-MRXNPFEDSA-N 2 0 341.459 1.323 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000453083481 446542192 /nfs/dbraw/zinc/54/21/92/446542192.db2.gz IDNBTRCANQSXFG-KRWDZBQOSA-N 2 0 340.475 1.605 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000433180178 446546221 /nfs/dbraw/zinc/54/62/21/446546221.db2.gz ZVBKTCFVHLYWRJ-MRXNPFEDSA-N 2 0 333.480 1.781 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+](C)C2CCCCC2)C1 ZINC000376632358 446617632 /nfs/dbraw/zinc/61/76/32/446617632.db2.gz LXTTZJBXKRBXQL-QGZVFWFLSA-N 2 0 325.497 1.866 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000423541814 446568732 /nfs/dbraw/zinc/56/87/32/446568732.db2.gz FSUYOEZRTXFDNS-FHERZECASA-N 3 0 325.497 1.770 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]CCCC[N@H+](C)C3CC3)cn2)CC1 ZINC000453596604 446568870 /nfs/dbraw/zinc/56/88/70/446568870.db2.gz LYMLMKLFJDVBEJ-UHFFFAOYSA-N 2 0 332.496 1.192 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500517 446569098 /nfs/dbraw/zinc/56/90/98/446569098.db2.gz PXTGBBLDMJQCIH-WMZOPIPTSA-N 2 0 330.476 1.887 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503475 446569492 /nfs/dbraw/zinc/56/94/92/446569492.db2.gz XVLZFHAPJMTMAU-QZTJIDSGSA-N 2 0 345.491 1.815 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC1([NH3+])CCC1 ZINC000418505542 446570649 /nfs/dbraw/zinc/57/06/49/446570649.db2.gz DFXOYYCQMWJIOF-QGZVFWFLSA-N 2 0 345.491 1.959 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)CC[NH3+] ZINC000418515573 446576426 /nfs/dbraw/zinc/57/64/26/446576426.db2.gz BQHLSLIWJJIZEX-WBVHZDCISA-N 2 0 333.480 1.815 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000418538318 446584866 /nfs/dbraw/zinc/58/48/66/446584866.db2.gz DPYHCVCNAJUUQE-QCSYZSNVSA-N 2 0 346.475 1.580 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1COc2ccccc2O1)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420416870 446590039 /nfs/dbraw/zinc/59/00/39/446590039.db2.gz VZJZLTMLQZVZAS-KLHDSHLOSA-N 2 0 347.459 1.248 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418656151 446635843 /nfs/dbraw/zinc/63/58/43/446635843.db2.gz PBUQLZUJZPCICR-KRWDZBQOSA-N 2 0 326.485 1.272 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C[C@@H](C)O ZINC000418667477 446641710 /nfs/dbraw/zinc/64/17/10/446641710.db2.gz MQZDQUVIHOGMPF-QBPKDAKJSA-N 2 0 340.512 1.238 20 0 EDADRP Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(Cl)cc1F ZINC000420465311 446643024 /nfs/dbraw/zinc/64/30/24/446643024.db2.gz YQAFKPZZWGBAIT-UHFFFAOYSA-N 2 0 337.848 1.476 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000423721552 446659449 /nfs/dbraw/zinc/65/94/49/446659449.db2.gz ISZDTKLENGCUIF-UHFFFAOYSA-N 2 0 331.460 1.169 20 0 EDADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)N1CCN(CC(C)(C)O)CC1 ZINC000375244567 446667536 /nfs/dbraw/zinc/66/75/36/446667536.db2.gz IQSFBFUTXGXIPM-HZPDHXFCSA-N 2 0 346.475 1.069 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC([NH+]2CCCCC2)CC1 ZINC000418749679 446669247 /nfs/dbraw/zinc/66/92/47/446669247.db2.gz MPSVXGAQZREZOW-AWEZNQCLSA-N 2 0 330.423 1.644 20 0 EDADRP Nc1ncnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000434083468 446621071 /nfs/dbraw/zinc/62/10/71/446621071.db2.gz CXRIRLJMSVBSGF-UHFFFAOYSA-N 2 0 347.854 1.731 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418755385 446675528 /nfs/dbraw/zinc/67/55/28/446675528.db2.gz XEXOTKLZOKAZDH-ZIAGYGMSSA-N 2 0 330.423 1.644 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418646185 446629983 /nfs/dbraw/zinc/62/99/83/446629983.db2.gz WSACQPKLJIMQAF-AEFFLSMTSA-N 2 0 346.475 1.019 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418644948 446630471 /nfs/dbraw/zinc/63/04/71/446630471.db2.gz VOBNHTZCRGXJLG-QGPMSJSTSA-N 2 0 328.460 1.752 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000418650009 446633482 /nfs/dbraw/zinc/63/34/82/446633482.db2.gz FKADXSXNWUXHLG-SJLPKXTDSA-N 2 0 338.496 1.128 20 0 EDADRP CN(C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376776432 446712396 /nfs/dbraw/zinc/71/23/96/446712396.db2.gz HWPMMDQQVMFTLU-HTYVYXPBSA-N 2 0 336.480 1.116 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418815496 446720837 /nfs/dbraw/zinc/72/08/37/446720837.db2.gz KOCMMYYSXJSJND-LJQANCHMSA-N 2 0 346.475 1.011 20 0 EDADRP CC(C)(CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCCCC1 ZINC000418827304 446733818 /nfs/dbraw/zinc/73/38/18/446733818.db2.gz DMXXZJJCBMKIQT-HNNXBMFYSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[C@@H]1CCC[NH2+]C1 ZINC000423750177 446679616 /nfs/dbraw/zinc/67/96/16/446679616.db2.gz SUXBNTXUYSUJET-ZACQAIPSSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)NC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371305637 446761039 /nfs/dbraw/zinc/76/10/39/446761039.db2.gz ZOJPOFYNRKOYQG-SJLPKXTDSA-N 2 0 336.524 1.393 20 0 EDADRP COc1c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)nn1C ZINC000368292507 446764810 /nfs/dbraw/zinc/76/48/10/446764810.db2.gz CSFDWFUUQINXJP-UHFFFAOYSA-N 2 0 349.523 1.587 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@@H](C)[NH3+] ZINC000423931665 446784052 /nfs/dbraw/zinc/78/40/52/446784052.db2.gz MOITZTWACNONMP-YQFWSFKMSA-N 2 0 335.496 1.539 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000423934917 446786833 /nfs/dbraw/zinc/78/68/33/446786833.db2.gz XHJFMUJUBHJJPX-KYHPRHEASA-N 2 0 347.507 1.636 20 0 EDADRP C[C@H](NC(=O)[C@@H]([NH3+])C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886037 446744065 /nfs/dbraw/zinc/74/40/65/446744065.db2.gz ZOYNIUBHPPXDHZ-IPELMVKDSA-N 2 0 345.487 1.767 20 0 EDADRP CN(C(=O)NCC1(N2CCOCC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376944974 446814358 /nfs/dbraw/zinc/81/43/58/446814358.db2.gz FRMYZNYUXBTUSJ-XYPWUTKMSA-N 2 0 336.480 1.118 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)NCC1([NH3+])CCCCC1)Cc1ccccc1 ZINC000418940380 446814342 /nfs/dbraw/zinc/81/43/42/446814342.db2.gz JACGRKRIOLEDBG-UHFFFAOYSA-N 2 0 346.475 1.012 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCCS2)CC[NH+](Cc2ccccc2)CC1 ZINC000424016086 446824094 /nfs/dbraw/zinc/82/40/94/446824094.db2.gz BEFSZQRAFBHLEN-INIZCTEOSA-N 2 0 333.501 1.992 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018539 446824659 /nfs/dbraw/zinc/82/46/59/446824659.db2.gz JQASDWSMTDUEJV-MSOLQXFVSA-N 3 0 344.503 1.484 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000418955950 446825680 /nfs/dbraw/zinc/82/56/80/446825680.db2.gz YVCNHSSSJQCTSU-DOTOQJQBSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000424019492 446826686 /nfs/dbraw/zinc/82/66/86/446826686.db2.gz KEXHQNUZWQLTCB-ZWKOTPCHSA-N 2 0 331.460 1.617 20 0 EDADRP CCN(CCCNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)c1ccccc1 ZINC000419009711 446864203 /nfs/dbraw/zinc/86/42/03/446864203.db2.gz WPVLHQYKSZSFMI-INIZCTEOSA-N 2 0 346.475 1.278 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000419028669 446873616 /nfs/dbraw/zinc/87/36/16/446873616.db2.gz RGFGFGLZPFHJRU-QGZVFWFLSA-N 2 0 346.475 1.094 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000420903457 446880702 /nfs/dbraw/zinc/88/07/02/446880702.db2.gz ATIQWDPTJRQMDW-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH2+]CCCN(C)C(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419042687 446881949 /nfs/dbraw/zinc/88/19/49/446881949.db2.gz HYIZQZVUTYYQJE-DOTOQJQBSA-N 2 0 346.475 1.006 20 0 EDADRP c1cc(C[N@@H+]2CCO[C@]3(CCCOC3)C2)ccc1CN1CCOCC1 ZINC000420967133 446936810 /nfs/dbraw/zinc/93/68/10/446936810.db2.gz SSOBREQPVFDCFU-HXUWFJFHSA-N 2 0 346.471 1.900 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[NH2+]C(C)(C)C1)CC(C)C ZINC000419127400 446939269 /nfs/dbraw/zinc/93/92/69/446939269.db2.gz QBGHEJAYAZZWJI-HNNXBMFYSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)CC(C)C ZINC000419127741 446939370 /nfs/dbraw/zinc/93/93/70/446939370.db2.gz SGQFMYPHQYGNPZ-OAGGEKHMSA-N 2 0 340.512 1.116 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000419140982 446952925 /nfs/dbraw/zinc/95/29/25/446952925.db2.gz AACRGBXLDAYUSO-WBVHZDCISA-N 2 0 346.475 1.102 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C1CC[NH+](C)CC1 ZINC000412564098 446961358 /nfs/dbraw/zinc/96/13/58/446961358.db2.gz NRWKWYLQYHMYAJ-UHFFFAOYSA-N 2 0 335.448 1.916 20 0 EDADRP Cc1cc(NC(=O)NC(C)(C)C[NH+](C)C)n(C2CC[NH+](C)CC2)n1 ZINC000454931365 447007827 /nfs/dbraw/zinc/00/78/27/447007827.db2.gz UNJTZXRXUZHQAX-UHFFFAOYSA-N 2 0 336.484 1.920 20 0 EDADRP CN(CC[NH3+])C(=O)C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000419206268 447010865 /nfs/dbraw/zinc/01/08/65/447010865.db2.gz MJRKRKANMYUHGX-UHFFFAOYSA-N 2 0 346.475 1.096 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419166249 446983793 /nfs/dbraw/zinc/98/37/93/446983793.db2.gz HJDBTYWOUAMQPN-OAHLLOKOSA-N 2 0 338.496 1.001 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@@H+]3CCC[C@H](CC[NH3+])C3)C2=O)c1 ZINC000443058700 447000608 /nfs/dbraw/zinc/00/06/08/447000608.db2.gz LCXUTOGGRPAPRK-KDOFPFPSSA-N 2 0 347.459 1.870 20 0 EDADRP COC1(C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099678 447000601 /nfs/dbraw/zinc/00/06/01/447000601.db2.gz XOQWTFXUGCPAOF-HIFRSBDPSA-N 2 0 337.489 1.626 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000368696716 447047760 /nfs/dbraw/zinc/04/77/60/447047760.db2.gz NBGCLYLIRUMXGI-INIZCTEOSA-N 2 0 340.512 1.207 20 0 EDADRP CCCNC(=O)NC(=O)CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000372524841 447110126 /nfs/dbraw/zinc/11/01/26/447110126.db2.gz FYXXSOUGLNYKRP-RDJZCZTQSA-N 2 0 347.463 1.242 20 0 EDADRP c1ccc(N2CC[C@@H](Nc3nccc(N[C@@H]4CCCOC4)n3)C2)nc1 ZINC000372573803 447152768 /nfs/dbraw/zinc/15/27/68/447152768.db2.gz WKURDCXTALMRDG-HUUCEWRRSA-N 2 0 340.431 2.153 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000377481800 447153349 /nfs/dbraw/zinc/15/33/49/447153349.db2.gz OFDCNFBZYNBDDH-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419428068 447167456 /nfs/dbraw/zinc/16/74/56/447167456.db2.gz SOCBABITKWNTCF-KRWDZBQOSA-N 2 0 346.475 1.056 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000375930303 447156515 /nfs/dbraw/zinc/15/65/15/447156515.db2.gz HRNREUHFOYPTHO-IEBWSBKVSA-N 2 0 342.487 1.258 20 0 EDADRP O=C(N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000375967661 447180404 /nfs/dbraw/zinc/18/04/04/447180404.db2.gz DOESCVVFWZSVGB-JENIJYKNSA-N 2 0 335.492 1.337 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCC(C)CC1 ZINC000419453388 447186925 /nfs/dbraw/zinc/18/69/25/447186925.db2.gz XSJZRYMGVCCUQD-BRWVUGGUSA-N 2 0 340.512 1.203 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1C[C@H](C)[NH+](CCO)C[C@H]1C ZINC000419456457 447190151 /nfs/dbraw/zinc/19/01/51/447190151.db2.gz ABHYQAPHMLMCKO-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000419431276 447170325 /nfs/dbraw/zinc/17/03/25/447170325.db2.gz XEBFKTOGVVURTP-XHSDSOJGSA-N 2 0 340.512 1.104 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21)Cc1ccccc1 ZINC000425648569 447253186 /nfs/dbraw/zinc/25/31/86/447253186.db2.gz VBJSWYKCOMAZFD-IPMKNSEASA-N 2 0 344.503 1.895 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000377586125 447225373 /nfs/dbraw/zinc/22/53/73/447225373.db2.gz WPGZOOADCIURMD-INIZCTEOSA-N 2 0 333.432 1.001 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1ccnn1C ZINC000447592492 447279881 /nfs/dbraw/zinc/27/98/81/447279881.db2.gz LVXCUZKGZGPNPJ-RDJZCZTQSA-N 2 0 343.475 1.360 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CCCO1 ZINC000425733421 447282915 /nfs/dbraw/zinc/28/29/15/447282915.db2.gz AKPMWHGRRFRSIO-IXDOHACOSA-N 2 0 338.496 1.223 20 0 EDADRP COCCOC[C@@H](O)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000450345911 447462857 /nfs/dbraw/zinc/46/28/57/447462857.db2.gz CIRBZMBODUTXLN-ROUUACIJSA-N 2 0 328.497 1.598 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415508485 447486413 /nfs/dbraw/zinc/48/64/13/447486413.db2.gz GAOQREGPBULECW-OAHLLOKOSA-N 2 0 346.475 1.568 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415508484 447487136 /nfs/dbraw/zinc/48/71/36/447487136.db2.gz GAOQREGPBULECW-HNNXBMFYSA-N 2 0 346.475 1.568 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415512375 447490021 /nfs/dbraw/zinc/49/00/21/447490021.db2.gz TXUSHWJWSHQICW-HNNXBMFYSA-N 2 0 346.475 1.365 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)ccc1C[NH+](C)C ZINC000415530122 447498310 /nfs/dbraw/zinc/49/83/10/447498310.db2.gz UCEPNLMZWOIRMU-KBPBESRZSA-N 2 0 332.448 1.191 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)[C@@H](C)c3ccccc3)C2)CC1 ZINC000450388768 447473658 /nfs/dbraw/zinc/47/36/58/447473658.db2.gz JNTDBYXWVLVKOO-DFQSSKMNSA-N 2 0 331.504 1.863 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)C[C@H](C)O1 ZINC000495796189 447584691 /nfs/dbraw/zinc/58/46/91/447584691.db2.gz UCZQRXLPQLHWFH-HLLBOEOZSA-N 2 0 339.480 1.648 20 0 EDADRP C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C#N)cc1)C1CC[NH+](C)CC1 ZINC000396471615 447544760 /nfs/dbraw/zinc/54/47/60/447544760.db2.gz XWVVTSFGFCHISL-CQSZACIVSA-N 2 0 335.473 1.652 20 0 EDADRP C[C@@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000396443808 447545519 /nfs/dbraw/zinc/54/55/19/447545519.db2.gz BQCXKMGLRVLHRE-CQSZACIVSA-N 2 0 335.473 1.652 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000416246021 447548442 /nfs/dbraw/zinc/54/84/42/447548442.db2.gz ZCXXFQYTRHDRFX-UHFFFAOYSA-N 2 0 341.459 1.832 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000416833766 447693509 /nfs/dbraw/zinc/69/35/09/447693509.db2.gz CWNXGBUDOQLSLG-SJORKVTESA-N 2 0 334.464 1.139 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000457913847 447670026 /nfs/dbraw/zinc/67/00/26/447670026.db2.gz ORKIPUDWDZKQKK-OKZBNKHCSA-N 2 0 330.476 1.505 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958590 447684484 /nfs/dbraw/zinc/68/44/84/447684484.db2.gz ZKNHOGJEHFTJFJ-IAGOWNOFSA-N 2 0 340.512 1.254 20 0 EDADRP CCOC(=O)COCCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459489601 447686114 /nfs/dbraw/zinc/68/61/14/447686114.db2.gz WYYJVWWVVHFUMC-UHFFFAOYSA-N 2 0 343.427 1.937 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC1 ZINC000457987356 447690939 /nfs/dbraw/zinc/69/09/39/447690939.db2.gz PZDRUSDYVPDERK-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N(C)C1C[NH2+]C1)c1cccc(OC)c1 ZINC000416931246 447713405 /nfs/dbraw/zinc/71/34/05/447713405.db2.gz ZYKJVTLUUBUEEN-QGZVFWFLSA-N 2 0 334.464 1.691 20 0 EDADRP CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000451262276 447716978 /nfs/dbraw/zinc/71/69/78/447716978.db2.gz XEKVJBDHAIINOP-KZNAEPCWSA-N 2 0 333.476 1.498 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422707680 447721476 /nfs/dbraw/zinc/72/14/76/447721476.db2.gz WYJBLQVCJPGSFQ-JKOKRWQUSA-N 2 0 326.824 1.953 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422711493 447723741 /nfs/dbraw/zinc/72/37/41/447723741.db2.gz NFBIPWGIGQWUKI-QFBILLFUSA-N 2 0 345.487 1.994 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CC(C)C)CN(C)C)CC[NH2+]CC1 ZINC000422718506 447727692 /nfs/dbraw/zinc/72/76/92/447727692.db2.gz PVIPKIXDRLCPES-JKSUJKDBSA-N 2 0 327.513 1.874 20 0 EDADRP CC[C@H](CNC(=[NH2+])NC[C@@H]1CCC[N@@H+]1CC)NC(=O)OC(C)(C)C ZINC000496177606 447733493 /nfs/dbraw/zinc/73/34/93/447733493.db2.gz IKGYKGBDHPFVLX-KGLIPLIRSA-N 2 0 341.500 1.888 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCOCC2)cc1 ZINC000422752849 447739437 /nfs/dbraw/zinc/73/94/37/447739437.db2.gz FQEPXUSRDVMXIL-MJGOQNOKSA-N 2 0 333.476 1.800 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000459696277 447743444 /nfs/dbraw/zinc/74/34/44/447743444.db2.gz HOMIPVKDXYAXAF-PKOBYXMFSA-N 2 0 333.476 1.004 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](CN1CCOCC1)c1ccc(C)cc1 ZINC000422776383 447747367 /nfs/dbraw/zinc/74/73/67/447747367.db2.gz ALIITCCDTKQERT-MOPGFXCFSA-N 2 0 335.492 1.712 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782451 447749094 /nfs/dbraw/zinc/74/90/94/447749094.db2.gz MZLLFMSNJWWUDO-IEZWGBDMSA-N 2 0 327.476 1.937 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)CC[NH2+]CC1 ZINC000422817118 447757826 /nfs/dbraw/zinc/75/78/26/447757826.db2.gz GTLFMLVSNMYIQA-HZPDHXFCSA-N 2 0 327.513 1.874 20 0 EDADRP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496396036 447762916 /nfs/dbraw/zinc/76/29/16/447762916.db2.gz HFPCKVKSASJIEO-BMGDILEWSA-N 2 0 347.459 1.739 20 0 EDADRP CCNC(=O)NC(=O)CN1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471843794 447814798 /nfs/dbraw/zinc/81/47/98/447814798.db2.gz IGNUDQWYHWAXMQ-DLBZAZTESA-N 2 0 346.475 1.504 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000422929724 447775230 /nfs/dbraw/zinc/77/52/30/447775230.db2.gz RFVKZTKFOZUPRI-KGLIPLIRSA-N 2 0 327.494 1.933 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944157 447777772 /nfs/dbraw/zinc/77/77/72/447777772.db2.gz ZGXIVTOZUHNFIN-TZMCWYRMSA-N 2 0 346.880 1.470 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953161 447779740 /nfs/dbraw/zinc/77/97/40/447779740.db2.gz DLDYYEMFMPMUDV-OCCSQVGLSA-N 2 0 340.265 1.896 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000430564097 447779897 /nfs/dbraw/zinc/77/98/97/447779897.db2.gz YIPVBRMYZGCLKJ-SNVBAGLBSA-N 2 0 338.374 1.085 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(CCOc2ccc(S(C)(=O)=O)cc2)C1 ZINC000430578772 447780925 /nfs/dbraw/zinc/78/09/25/447780925.db2.gz FQLYSKFGRRDOIU-KGLIPLIRSA-N 2 0 326.462 1.528 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(=O)NC(C)(C)C)CC[NH2+]CC1 ZINC000422960505 447781761 /nfs/dbraw/zinc/78/17/61/447781761.db2.gz WOQNILCGVDVRKC-ZDUSSCGKSA-N 2 0 327.469 1.202 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000430802423 447786928 /nfs/dbraw/zinc/78/69/28/447786928.db2.gz MEUGUDBVZNGQDC-CQSZACIVSA-N 2 0 334.468 1.007 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000422995269 447788986 /nfs/dbraw/zinc/78/89/86/447788986.db2.gz XQDQLOHRYAEVAL-OWCLPIDISA-N 2 0 343.479 1.448 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)CC2CCCC2)CC[NH2+]CC1 ZINC000423024602 447792894 /nfs/dbraw/zinc/79/28/94/447792894.db2.gz MFTRAGFZGLDVMV-HOCLYGCPSA-N 2 0 326.481 1.839 20 0 EDADRP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000423086100 447802449 /nfs/dbraw/zinc/80/24/49/447802449.db2.gz MJSUSWYGDMLMJO-HOJAQTOUSA-N 2 0 329.488 1.865 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C[C@H](C)O1 ZINC000469699491 447803770 /nfs/dbraw/zinc/80/37/70/447803770.db2.gz GEUOSYFTESVHFO-NXOAAHMSSA-N 2 0 325.497 1.722 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])s1 ZINC000423104990 447806224 /nfs/dbraw/zinc/80/62/24/447806224.db2.gz HYJOPRZJSHEBDV-RHYQMDGZSA-N 2 0 325.482 1.781 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cn1ccccc1=O)c1ccccc1 ZINC000423117031 447808842 /nfs/dbraw/zinc/80/88/42/447808842.db2.gz SOSVHPGFYWILOW-MSOLQXFVSA-N 2 0 329.444 1.933 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644062 447839964 /nfs/dbraw/zinc/83/99/64/447839964.db2.gz LAETZSNNBRJZBH-HNNXBMFYSA-N 2 0 329.485 1.630 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000575991964 447946875 /nfs/dbraw/zinc/94/68/75/447946875.db2.gz JXMIDGMLIZCGDG-ZWKOTPCHSA-N 2 0 334.508 1.336 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530572004 447917561 /nfs/dbraw/zinc/91/75/61/447917561.db2.gz NOQRDDIBVPUVQB-FXAWDEMLSA-N 2 0 345.487 1.614 20 0 EDADRP COc1ccc([C@@H](C)CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000575916897 447926950 /nfs/dbraw/zinc/92/69/50/447926950.db2.gz BAOJLEITIYZBHU-FUHWJXTLSA-N 2 0 335.492 1.387 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000530676148 447938800 /nfs/dbraw/zinc/93/88/00/447938800.db2.gz ZNQKCRNEBAZVRV-QGZVFWFLSA-N 2 0 331.460 1.211 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000570295779 447981703 /nfs/dbraw/zinc/98/17/03/447981703.db2.gz PGSQBCCRYPPXEH-QGZVFWFLSA-N 2 0 345.491 1.641 20 0 EDADRP COc1ccc([C@H]2CCCC[C@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1F ZINC000570321009 447985867 /nfs/dbraw/zinc/98/58/67/447985867.db2.gz XKPWDSPAZPFKBJ-NVXWUHKLSA-N 2 0 349.450 1.882 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000525420783 448000021 /nfs/dbraw/zinc/00/00/21/448000021.db2.gz SAKIDIPJKAJKEZ-UHFFFAOYSA-N 3 0 349.523 1.383 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000497255091 448010082 /nfs/dbraw/zinc/01/00/82/448010082.db2.gz WCDFADFJINIRTH-LSDHHAIUSA-N 2 0 329.485 1.536 20 0 EDADRP C[NH+](C)CC1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC1 ZINC000496851470 447969179 /nfs/dbraw/zinc/96/91/79/447969179.db2.gz HQIVVVSMKQXOOE-SFHVURJKSA-N 2 0 336.480 1.134 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)C1 ZINC000531101299 448019187 /nfs/dbraw/zinc/01/91/87/448019187.db2.gz DAIIHVVZAWDNTG-OKZBNKHCSA-N 2 0 326.481 1.207 20 0 EDADRP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)c1cnn(C)c1 ZINC000531168875 448032170 /nfs/dbraw/zinc/03/21/70/448032170.db2.gz MCPCYMFEDQRLIO-INIZCTEOSA-N 2 0 347.507 1.590 20 0 EDADRP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497283131 448036516 /nfs/dbraw/zinc/03/65/16/448036516.db2.gz MRDVTZMBWQEUJU-KBAYOESNSA-N 2 0 349.475 1.985 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[NH2+]C1CC1 ZINC000576403070 448046278 /nfs/dbraw/zinc/04/62/78/448046278.db2.gz PDHLNKMTZIKWCZ-UHFFFAOYSA-N 2 0 332.448 1.528 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)c1 ZINC000497296992 448050690 /nfs/dbraw/zinc/05/06/90/448050690.db2.gz DEUJUUMARBUWCT-UHFFFAOYSA-N 2 0 349.479 1.887 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531303413 448059044 /nfs/dbraw/zinc/05/90/44/448059044.db2.gz HDJZPAKUXRLRBX-MBOZVWFJSA-N 2 0 345.487 1.612 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCNC(=O)OC(C)(C)C)C2)CC1 ZINC000497262274 448017657 /nfs/dbraw/zinc/01/76/57/448017657.db2.gz HMZUCBHIFKEPMN-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccc(C(=O)CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000531357297 448068939 /nfs/dbraw/zinc/06/89/39/448068939.db2.gz WJHBBAQIKHKVGE-UHFFFAOYSA-N 2 0 339.505 1.971 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)[NH+](C)C1 ZINC000500786491 448088704 /nfs/dbraw/zinc/08/87/04/448088704.db2.gz QPBRSSRPGPIZOO-IKGGRYGDSA-N 2 0 340.512 1.467 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000502555657 448101186 /nfs/dbraw/zinc/10/11/86/448101186.db2.gz BRSJBOVCRMQQBN-JYJNAYRXSA-N 2 0 325.497 1.865 20 0 EDADRP CC[C@H]1CN(C[C@@H](O)C[N@H+](C)CCOC)CC[NH+]1Cc1ccccc1 ZINC000571460369 448157438 /nfs/dbraw/zinc/15/74/38/448157438.db2.gz RFZFCSXUHGDCKK-PMACEKPBSA-N 2 0 349.519 1.522 20 0 EDADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000497006136 448114843 /nfs/dbraw/zinc/11/48/43/448114843.db2.gz WIYCVGQTLWKJOO-HZPDHXFCSA-N 2 0 342.528 1.905 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@H]2CCn3ncc(C(=O)NC(C)C)c3C2)CC1 ZINC000526944408 448123031 /nfs/dbraw/zinc/12/30/31/448123031.db2.gz INNCZCHNBBYHSC-HNNXBMFYSA-N 2 0 347.507 1.658 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000505761824 448125689 /nfs/dbraw/zinc/12/56/89/448125689.db2.gz JCBJXRPMIZBSRP-UHFFFAOYSA-N 2 0 330.476 1.998 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000571433348 448153643 /nfs/dbraw/zinc/15/36/43/448153643.db2.gz YSVWOLBNXPIEHM-HKUYNNGSSA-N 2 0 348.487 1.825 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000571810983 448210198 /nfs/dbraw/zinc/21/01/98/448210198.db2.gz JYZWMOVELQIFSL-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP CN1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000514924345 448225327 /nfs/dbraw/zinc/22/53/27/448225327.db2.gz CDKDTULCESCUOI-BYCMXARLSA-N 2 0 340.830 1.967 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000577364448 448276763 /nfs/dbraw/zinc/27/67/63/448276763.db2.gz FHGKWLDRHMMJEL-UHFFFAOYSA-N 2 0 345.491 1.827 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000591092304 448258809 /nfs/dbraw/zinc/25/88/09/448258809.db2.gz YQFSFFHLFLHXPY-WMZOPIPTSA-N 2 0 331.460 1.900 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000591096967 448260109 /nfs/dbraw/zinc/26/01/09/448260109.db2.gz OWIUXVDHPQHEMT-KRWDZBQOSA-N 2 0 333.476 1.975 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)[C@H](C)C1 ZINC000532491352 448264926 /nfs/dbraw/zinc/26/49/26/448264926.db2.gz JKCBHIPTDOMYLN-ACWOFJMJSA-N 2 0 344.459 1.561 20 0 EDADRP C[NH2+]C[C@@](C)(O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000572167395 448306594 /nfs/dbraw/zinc/30/65/94/448306594.db2.gz DOROHPMLMGAZEM-UXHICEINSA-N 3 0 331.504 1.945 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCCn1cnc2ccccc21 ZINC000591287116 448308012 /nfs/dbraw/zinc/30/80/12/448308012.db2.gz QEPYYCDUVJIQJT-UHFFFAOYSA-N 2 0 345.491 1.768 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000577520654 448321002 /nfs/dbraw/zinc/32/10/02/448321002.db2.gz IUIGIUZVYRDZES-BRWVUGGUSA-N 2 0 343.537 1.653 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000572114069 448289548 /nfs/dbraw/zinc/28/95/48/448289548.db2.gz BGZWKVBPTWCRPY-QGZVFWFLSA-N 2 0 335.492 1.350 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCCc2cc(N)ccc21 ZINC000577606367 448340393 /nfs/dbraw/zinc/34/03/93/448340393.db2.gz DUWLPOPNEDLWJZ-SFHVURJKSA-N 2 0 347.507 1.781 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000515855681 448358046 /nfs/dbraw/zinc/35/80/46/448358046.db2.gz IHERTLFKPAOBBY-AWEZNQCLSA-N 2 0 328.501 1.373 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000582847560 448359067 /nfs/dbraw/zinc/35/90/67/448359067.db2.gz VTQDQACKEDPUNB-MRXNPFEDSA-N 2 0 345.491 1.228 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000591436006 448362441 /nfs/dbraw/zinc/36/24/41/448362441.db2.gz XEOQRSRMKOLYLE-SFHVURJKSA-N 2 0 344.503 1.657 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1 ZINC000577723887 448368298 /nfs/dbraw/zinc/36/82/98/448368298.db2.gz IPTWUCKOUOBQJV-SFHVURJKSA-N 2 0 347.507 1.313 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCC(OCC3CCCC3)CC2)C1 ZINC000572463995 448383152 /nfs/dbraw/zinc/38/31/52/448383152.db2.gz ORBDDJJEHWYKLO-QGZVFWFLSA-N 2 0 337.508 1.855 20 0 EDADRP Cc1ccc([C@@H]2OCCC[C@@H]2[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000583019615 448403732 /nfs/dbraw/zinc/40/37/32/448403732.db2.gz HYCHFESSMVXXMG-UFYCRDLUSA-N 2 0 347.503 1.413 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NC[C@@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857460 448404644 /nfs/dbraw/zinc/40/46/44/448404644.db2.gz IUHROKHDYIZQKG-RDJZCZTQSA-N 2 0 343.471 1.570 20 0 EDADRP O=C(CC[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)Nc1cccnc1 ZINC000582900676 448373215 /nfs/dbraw/zinc/37/32/15/448373215.db2.gz RMEOXCFNDGLLNB-IRXDYDNUSA-N 2 0 332.448 1.378 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000583084141 448421132 /nfs/dbraw/zinc/42/11/32/448421132.db2.gz YGSZABIIYZDMBC-RRQGHBQHSA-N 2 0 342.447 1.236 20 0 EDADRP O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000566296475 448438461 /nfs/dbraw/zinc/43/84/61/448438461.db2.gz VKPUNMZXHKAVNT-SFHVURJKSA-N 2 0 342.487 1.315 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000516645256 448454274 /nfs/dbraw/zinc/45/42/74/448454274.db2.gz QOKYMYQQUWUFBP-WOJBJXKFSA-N 2 0 333.520 1.972 20 0 EDADRP C[NH+]1CCC(CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000591709071 448464483 /nfs/dbraw/zinc/46/44/83/448464483.db2.gz MJWYTCBPATXEBN-UHFFFAOYSA-N 2 0 325.478 1.880 20 0 EDADRP C[C@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000572856189 448482430 /nfs/dbraw/zinc/48/24/30/448482430.db2.gz CPNUCWJATVDEDG-TZMCWYRMSA-N 2 0 340.855 1.392 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000578204075 448485593 /nfs/dbraw/zinc/48/55/93/448485593.db2.gz HZPBENDWPFPWMV-IRXDYDNUSA-N 2 0 339.524 1.850 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000528374923 448504677 /nfs/dbraw/zinc/50/46/77/448504677.db2.gz ABVXWSKFCVDROK-RBUKOAKNSA-N 2 0 348.535 1.632 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C[NH+]2CCC[C@H](C(N)=O)C2)C1 ZINC000591865218 448508763 /nfs/dbraw/zinc/50/87/63/448508763.db2.gz MXRYOAMWKPZYHX-JKSUJKDBSA-N 2 0 344.459 1.274 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000572971254 448510420 /nfs/dbraw/zinc/51/04/20/448510420.db2.gz RFAFPZKFOHDPOW-GJZGRUSLSA-N 2 0 334.439 1.286 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000516982547 448517494 /nfs/dbraw/zinc/51/74/94/448517494.db2.gz JRMZWOXRQAXEPH-INIZCTEOSA-N 2 0 331.526 1.320 20 0 EDADRP [NH3+]C1(CN[C@H]2CCn3ccnc32)CC[NH+](Cc2ccccc2)CC1 ZINC000578497556 448559576 /nfs/dbraw/zinc/55/95/76/448559576.db2.gz IZOUSNKTPGNKKM-KRWDZBQOSA-N 2 0 325.460 1.911 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537609963 448565134 /nfs/dbraw/zinc/56/51/34/448565134.db2.gz PCDVOCSMPLTJNC-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000584464604 448535999 /nfs/dbraw/zinc/53/59/99/448535999.db2.gz BAKVCSXIAVXWKH-NZSAHSFTSA-N 2 0 347.503 1.683 20 0 EDADRP CC[C@H]1CN(CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CCO1 ZINC000517536009 448589514 /nfs/dbraw/zinc/58/95/14/448589514.db2.gz UQRXOKVOQAHJJH-HNNXBMFYSA-N 2 0 332.448 1.565 20 0 EDADRP CN1CCN(C(=O)Cc2csc(Cc3ccccc3)n2)[C@H](C[NH3+])C1 ZINC000573562525 448658748 /nfs/dbraw/zinc/65/87/48/448658748.db2.gz MZAMXZZPLRRVLT-MRXNPFEDSA-N 2 0 344.484 1.378 20 0 EDADRP CN(C(=O)CC1(C[NH3+])CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000578896211 448665061 /nfs/dbraw/zinc/66/50/61/448665061.db2.gz WBJBGYSZFBONFC-UHFFFAOYSA-N 2 0 330.476 1.676 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CNC[C@H](C2CCCCC2)[NH+](C)C)C[C@H](C)O1 ZINC000573594579 448668297 /nfs/dbraw/zinc/66/82/97/448668297.db2.gz BPBGYJWHWGRNHI-UKBAYJJMSA-N 2 0 341.540 1.557 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000567352233 448673735 /nfs/dbraw/zinc/67/37/35/448673735.db2.gz VXRFXADYISRXGG-KBPBESRZSA-N 2 0 346.475 1.504 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000573699311 448694195 /nfs/dbraw/zinc/69/41/95/448694195.db2.gz ITQGTFYZEXMOID-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567462559 448699007 /nfs/dbraw/zinc/69/90/07/448699007.db2.gz OLACORNWFKMKME-HZSPNIEDSA-N 2 0 343.518 1.476 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCCC[C@]3(C)[NH3+])nc2)CC1 ZINC000567780464 448761142 /nfs/dbraw/zinc/76/11/42/448761142.db2.gz RDDYDHCJYFRZNA-QAPCUYQASA-N 2 0 331.464 1.680 20 0 EDADRP NC(=O)C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830838 448726145 /nfs/dbraw/zinc/72/61/45/448726145.db2.gz LFDRAPXYHGTXSF-HNAYVOBHSA-N 2 0 329.444 1.878 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cs1 ZINC000573968420 448760392 /nfs/dbraw/zinc/76/03/92/448760392.db2.gz SKXZFOHJGQIDIS-QWHCGFSZSA-N 2 0 334.420 1.350 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000574192298 448815037 /nfs/dbraw/zinc/81/50/37/448815037.db2.gz XIQSUZCLWALIOC-SOLBZPMBSA-N 2 0 327.513 1.168 20 0 EDADRP CC1CCN(c2ccc(CNC(=O)NC[C@H]3COCC[NH2+]3)cn2)CC1 ZINC000529287250 448807011 /nfs/dbraw/zinc/80/70/11/448807011.db2.gz PXUFWMAPZCWREU-INIZCTEOSA-N 2 0 347.463 1.106 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@@H]1C[NH3+] ZINC000519538460 448780428 /nfs/dbraw/zinc/78/04/28/448780428.db2.gz FDTCDGMBFVLXTA-NXHRZFHOSA-N 2 0 330.476 1.737 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H]1CCCCN1S(C)(=O)=O ZINC000519698348 448821851 /nfs/dbraw/zinc/82/18/51/448821851.db2.gz KGRJJLWNUNWHSN-BZUAXINKSA-N 2 0 331.526 1.701 20 0 EDADRP CCn1ccnc1[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000579687418 448852330 /nfs/dbraw/zinc/85/23/30/448852330.db2.gz IZIHJGPIXZUPRA-HOTGVXAUSA-N 2 0 333.480 1.627 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@H]3CCC[C@H]([NH3+])C3)c2)CC1 ZINC000519828887 448854885 /nfs/dbraw/zinc/85/48/85/448854885.db2.gz VDWRDFCVJMZWGS-LPHOPBHVSA-N 2 0 344.503 1.681 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000519828283 448854992 /nfs/dbraw/zinc/85/49/92/448854992.db2.gz VDTCSJUETLLTOY-GOSISDBHSA-N 2 0 332.492 1.552 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000574414879 448870800 /nfs/dbraw/zinc/87/08/00/448870800.db2.gz SJMFEOOBBFQHAU-FUHWJXTLSA-N 2 0 341.459 1.620 20 0 EDADRP COc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc(OC)c1O ZINC000520273718 448879450 /nfs/dbraw/zinc/87/94/50/448879450.db2.gz JNGNFLOIRPCWRD-UHFFFAOYSA-N 2 0 337.464 1.527 20 0 EDADRP CC(C)N1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1=O ZINC000579822740 448885811 /nfs/dbraw/zinc/88/58/11/448885811.db2.gz OQWZIQUXPUTOQK-BXWFABGCSA-N 2 0 329.444 1.841 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CCC[C@@H](C[NH3+])C1 ZINC000579712909 448860357 /nfs/dbraw/zinc/86/03/57/448860357.db2.gz LDRSRVKKAONFSA-CVEARBPZSA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000568372665 448863137 /nfs/dbraw/zinc/86/31/37/448863137.db2.gz GMPMNIOUHLEZIG-SZMVWBNQSA-N 2 0 346.475 1.409 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592559701 448901666 /nfs/dbraw/zinc/90/16/66/448901666.db2.gz BVNZUEMFRSZSOG-RRFJBIMHSA-N 2 0 331.464 1.418 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C2CCN(Cc3nccn3C)CC2)c1 ZINC000520579501 448913650 /nfs/dbraw/zinc/91/36/50/448913650.db2.gz ZJXQGIWNZJVJIV-UHFFFAOYSA-N 2 0 341.459 1.990 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000574629782 448918807 /nfs/dbraw/zinc/91/88/07/448918807.db2.gz VLEYXKLTZMDXRA-CQSZACIVSA-N 2 0 327.432 1.170 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)([NH+](C)C)C1 ZINC000520805283 448932232 /nfs/dbraw/zinc/93/22/32/448932232.db2.gz UFFWQBINNGXWCN-RKVPGOIHSA-N 2 0 348.495 1.270 20 0 EDADRP O=C(CCOC1C[NH2+]C1)Nc1nc(CN2CCCCCC2)cs1 ZINC000521040338 448949161 /nfs/dbraw/zinc/94/91/61/448949161.db2.gz AAJGRPSZMSUUCW-UHFFFAOYSA-N 2 0 338.477 1.836 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000588943165 448952293 /nfs/dbraw/zinc/95/22/93/448952293.db2.gz CNLDJBNKLISJEB-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP CS[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)C[C@@H]1[NH+]1CCCC1 ZINC000547950225 448952770 /nfs/dbraw/zinc/95/27/70/448952770.db2.gz OTZLCIZLJAUIEQ-IRXDYDNUSA-N 2 0 348.516 1.946 20 0 EDADRP CN(C)c1ccc(Cl)cc1NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000574904677 448985987 /nfs/dbraw/zinc/98/59/87/448985987.db2.gz AFSMYSOWEACBCL-GFCCVEGCSA-N 2 0 325.844 1.513 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3cccc(-n4cccn4)c3)C2)nn1 ZINC000574739610 448943705 /nfs/dbraw/zinc/94/37/05/448943705.db2.gz UPYWXOIUMWEMPJ-GOSISDBHSA-N 2 0 337.431 1.760 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)N1CCN(Cc2ncc[nH]2)CC1 ZINC000574954409 448996293 /nfs/dbraw/zinc/99/62/93/448996293.db2.gz VXLNEGZWXGKCNW-MRXNPFEDSA-N 2 0 346.479 1.254 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000521621812 449002593 /nfs/dbraw/zinc/00/25/93/449002593.db2.gz FPCMKERLFPGPTE-AWEZNQCLSA-N 2 0 342.447 1.086 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000582109840 449012456 /nfs/dbraw/zinc/01/24/56/449012456.db2.gz DNIDMNGDLLYUJT-MSOLQXFVSA-N 2 0 345.491 1.795 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000582248450 449048710 /nfs/dbraw/zinc/04/87/10/449048710.db2.gz HIXPDIVEXRWAET-UHFFFAOYSA-N 2 0 331.460 1.215 20 0 EDADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000575399107 449088504 /nfs/dbraw/zinc/08/85/04/449088504.db2.gz OLKCOIXWTUZKCT-MAUKXSAKSA-N 2 0 329.444 1.054 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548717035 449088586 /nfs/dbraw/zinc/08/85/86/449088586.db2.gz DTWSNFCNQCBSOJ-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)[C@@H](C)C1 ZINC000592966202 449089369 /nfs/dbraw/zinc/08/93/69/449089369.db2.gz WFHPARFDYPBGMZ-DZKIICNBSA-N 2 0 333.480 1.522 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000530238184 449090724 /nfs/dbraw/zinc/09/07/24/449090724.db2.gz LENLDPFFMFCFCV-GOSISDBHSA-N 2 0 343.471 1.666 20 0 EDADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240425 449091943 /nfs/dbraw/zinc/09/19/43/449091943.db2.gz LUYFPSOBEWYPGY-PBHICJAKSA-N 2 0 325.497 1.770 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCC3CC[NH+](CC4CC4)CC3)c21 ZINC000595985257 449298862 /nfs/dbraw/zinc/29/88/62/449298862.db2.gz YZLRVVZAXIHQRS-MRXNPFEDSA-N 2 0 345.491 1.571 20 0 EDADRP COC(=O)c1cnc([C@H](C)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)s1 ZINC000602023440 449280639 /nfs/dbraw/zinc/28/06/39/449280639.db2.gz XBUPOQQPAMNNBS-NSHDSACASA-N 2 0 347.444 1.907 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(CCc2ccccc2)C1=O ZINC000590949258 449354268 /nfs/dbraw/zinc/35/42/68/449354268.db2.gz QTGYIHJJABGABE-GOSISDBHSA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)ccn1 ZINC000616998839 449423179 /nfs/dbraw/zinc/42/31/79/449423179.db2.gz XIICIKSFFXZRML-OAHLLOKOSA-N 2 0 348.491 1.872 20 0 EDADRP C[C@H](NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[C@H](C)N1CCOCC1 ZINC000594303298 449438958 /nfs/dbraw/zinc/43/89/58/449438958.db2.gz WVAXZBZAEIQXNL-YVSFHVDLSA-N 2 0 340.512 1.658 20 0 EDADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000594577674 449581395 /nfs/dbraw/zinc/58/13/95/449581395.db2.gz YZQOTZMUHMTYRG-IMJJTQAJSA-N 2 0 336.432 1.143 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602542433 449663218 /nfs/dbraw/zinc/66/32/18/449663218.db2.gz XJZHXPMLCZGRKE-CQSZACIVSA-N 2 0 336.480 1.473 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601219122 449756339 /nfs/dbraw/zinc/75/63/39/449756339.db2.gz ZSVQLAVZOCIAEH-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)C2)CC1 ZINC000602786658 449807886 /nfs/dbraw/zinc/80/78/86/449807886.db2.gz SKIZDRLTOZFUGF-ROUUACIJSA-N 2 0 334.508 1.240 20 0 EDADRP C[C@@H](CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[NH+](C)C ZINC000617753411 449817207 /nfs/dbraw/zinc/81/72/07/449817207.db2.gz BZCYUYQIJWXDND-INIZCTEOSA-N 2 0 333.480 1.050 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000615089863 449949948 /nfs/dbraw/zinc/94/99/48/449949948.db2.gz OATIMCCCOKMYJA-GJZGRUSLSA-N 2 0 325.497 1.865 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(F)c1 ZINC000612962431 449958349 /nfs/dbraw/zinc/95/83/49/449958349.db2.gz BNCGBHINNUFBEP-HZPDHXFCSA-N 2 0 334.439 1.870 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612978971 449968296 /nfs/dbraw/zinc/96/82/96/449968296.db2.gz CVOGBMAKJOAVLP-KBAYOESNSA-N 2 0 342.487 1.948 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613283926 450116765 /nfs/dbraw/zinc/11/67/65/450116765.db2.gz BFDDBXCFXZBATG-GOSISDBHSA-N 2 0 333.476 1.560 20 0 EDADRP [NH3+]CCSCc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000603261656 450189477 /nfs/dbraw/zinc/18/94/77/450189477.db2.gz SVLKSUAMRLLMRV-QGZVFWFLSA-N 2 0 347.488 1.107 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000619899103 450367593 /nfs/dbraw/zinc/36/75/93/450367593.db2.gz LDBFWVFTGNUSLB-GOSISDBHSA-N 2 0 344.503 1.799 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCCOCC[NH2+]C)CC1 ZINC000625837378 450518586 /nfs/dbraw/zinc/51/85/86/450518586.db2.gz JOTWAXLEDSWPGF-UHFFFAOYSA-N 2 0 349.479 1.186 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2CC[C@H](C)[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000625866266 450524102 /nfs/dbraw/zinc/52/41/02/450524102.db2.gz AYMJMADEXULFBJ-JSGCOSHPSA-N 2 0 334.468 1.720 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000623508872 450534924 /nfs/dbraw/zinc/53/49/24/450534924.db2.gz KPAHQBGZHWSRBI-LRYGQEGESA-N 2 0 339.524 1.719 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CCSC1 ZINC000625985558 450549190 /nfs/dbraw/zinc/54/91/90/450549190.db2.gz TZEGPURGAKAWOC-YQVWRLOYSA-N 2 0 347.528 1.885 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2COCCN2C)CC1 ZINC000623711630 450570047 /nfs/dbraw/zinc/57/00/47/450570047.db2.gz KKCXFNNADLMCSO-IBGZPJMESA-N 2 0 346.519 1.639 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH2+]1 ZINC000621151829 450599592 /nfs/dbraw/zinc/59/95/92/450599592.db2.gz JITQKOGRVGWTAT-MSOLQXFVSA-N 2 0 330.476 1.750 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000623837758 450611151 /nfs/dbraw/zinc/61/11/51/450611151.db2.gz SMHFRCFFVBLKHR-IBGZPJMESA-N 2 0 346.519 1.375 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)CC(C)C ZINC000627325138 450649339 /nfs/dbraw/zinc/64/93/39/450649339.db2.gz ZIHCDWWVJXFMQD-OAGGEKHMSA-N 2 0 340.512 1.116 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1nc(N)[nH+]c(N)n1 ZINC000624007832 450668753 /nfs/dbraw/zinc/66/87/53/450668753.db2.gz FYRLTEXFPCCXCM-CQSZACIVSA-N 2 0 327.436 1.045 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@H](CO)c1ccnn1C ZINC000624018299 450670341 /nfs/dbraw/zinc/67/03/41/450670341.db2.gz PQLWYWGLYLCRJI-DJIMGWMZSA-N 2 0 329.448 1.349 20 0 EDADRP CO[C@@H](C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1)C1CCCCC1 ZINC000629544863 450728203 /nfs/dbraw/zinc/72/82/03/450728203.db2.gz JXLCWXUCQUDSEY-KRWDZBQOSA-N 2 0 338.496 1.225 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521778 450725244 /nfs/dbraw/zinc/72/52/44/450725244.db2.gz UICOERRCBWGHHD-RDJZCZTQSA-N 2 0 341.883 1.889 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC[C@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581305 450749284 /nfs/dbraw/zinc/74/92/84/450749284.db2.gz VOJDSPGHKJBZJU-SFHVURJKSA-N 2 0 347.503 1.706 20 0 EDADRP OC[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC000629584433 450750638 /nfs/dbraw/zinc/75/06/38/450750638.db2.gz QYPFORSEWMMFQA-HUUCEWRRSA-N 2 0 328.403 1.162 20 0 EDADRP O[C@@H]1CC[N@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000624229751 450755751 /nfs/dbraw/zinc/75/57/51/450755751.db2.gz BQNYZCYWTIXTOF-YSTOQKLRSA-N 2 0 329.488 1.838 20 0 EDADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624229706 450755989 /nfs/dbraw/zinc/75/59/89/450755989.db2.gz AJSWOAAFZSAVKX-JSXRDJHFSA-N 2 0 343.515 1.943 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000621668398 450824483 /nfs/dbraw/zinc/82/44/83/450824483.db2.gz DOBUXUUJAXJNCH-APWZRJJASA-N 2 0 345.487 1.649 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](C)[NH+](C)C)CC2)c1 ZINC000635263203 450792392 /nfs/dbraw/zinc/79/23/92/450792392.db2.gz DAPDUMOEWWZMSW-QGZVFWFLSA-N 2 0 332.492 1.573 20 0 EDADRP [NH3+][C@@]12CCC[C@H]1CN(C(=O)CC[NH+]1CCN(c3ccccc3)CC1)C2 ZINC000621699268 450840533 /nfs/dbraw/zinc/84/05/33/450840533.db2.gz QFHRIJSZTPMWJR-FXAWDEMLSA-N 2 0 342.487 1.539 20 0 EDADRP COc1c(C)cnc(CN(C)S(=O)(=O)CC2(N(C)C)CC2)c1C ZINC000631836766 450805431 /nfs/dbraw/zinc/80/54/31/450805431.db2.gz GMWVQTDZQUHFTO-UHFFFAOYSA-N 2 0 341.477 1.563 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631904338 450863247 /nfs/dbraw/zinc/86/32/47/450863247.db2.gz LBXSPXUTNCMPLO-UHFFFAOYSA-N 2 0 337.489 1.714 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000629917082 450887728 /nfs/dbraw/zinc/88/77/28/450887728.db2.gz KXIOHVKOKSDCQB-MOPGFXCFSA-N 2 0 345.487 1.124 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631940372 450897529 /nfs/dbraw/zinc/89/75/29/450897529.db2.gz UVCRBWFZXKUWSV-IAGOWNOFSA-N 2 0 343.537 1.514 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000635408914 450916116 /nfs/dbraw/zinc/91/61/16/450916116.db2.gz QMXBANJZRSLWNT-RBUKOAKNSA-N 2 0 349.519 1.964 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000626854334 450962626 /nfs/dbraw/zinc/96/26/26/450962626.db2.gz HSVKFACVJAUHMG-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@H+]2CC)n(C)n1 ZINC000635464091 450964587 /nfs/dbraw/zinc/96/45/87/450964587.db2.gz GBBRQZYPQSDIMG-INIZCTEOSA-N 2 0 335.496 1.471 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000633656474 450967396 /nfs/dbraw/zinc/96/73/96/450967396.db2.gz PKHMYZXAMLHRFJ-UHFFFAOYSA-N 2 0 333.480 1.297 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635472142 450971056 /nfs/dbraw/zinc/97/10/56/450971056.db2.gz ABKKDQNRUBPYHJ-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)CCC[NH+]2CCCC2)[C@H](C)C1 ZINC000632026768 450978502 /nfs/dbraw/zinc/97/85/02/450978502.db2.gz LWFFAQYZAQJSRT-HZPDHXFCSA-N 2 0 331.526 1.464 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)cc1 ZINC000626910920 451000812 /nfs/dbraw/zinc/00/08/12/451000812.db2.gz MRKQNWSWRQUGIC-XJKSGUPXSA-N 2 0 332.448 1.334 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000626922459 451006583 /nfs/dbraw/zinc/00/65/83/451006583.db2.gz YAZKZDUYLLUFBU-INIZCTEOSA-N 2 0 334.464 1.822 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626931377 451014299 /nfs/dbraw/zinc/01/42/99/451014299.db2.gz DIZLEVGYUNLKBO-UHFFFAOYSA-N 2 0 348.491 1.834 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626933734 451016828 /nfs/dbraw/zinc/01/68/28/451016828.db2.gz OCJQMEAQPLOSCY-WBVHZDCISA-N 2 0 340.512 1.517 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC2(C[NH3+])CCOCC2)c1 ZINC000626957360 451034790 /nfs/dbraw/zinc/03/47/90/451034790.db2.gz OGILFTWPGDQEND-UHFFFAOYSA-N 2 0 334.464 1.445 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000626997730 451062933 /nfs/dbraw/zinc/06/29/33/451062933.db2.gz CAUSOTYKQOUWAA-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCOCCC[NH3+] ZINC000627012433 451077560 /nfs/dbraw/zinc/07/75/60/451077560.db2.gz AVAPYTYNWFXJLF-DOTOQJQBSA-N 2 0 334.464 1.172 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000632160067 451080617 /nfs/dbraw/zinc/08/06/17/451080617.db2.gz SYZWSLYRWXIMIQ-QZTJIDSGSA-N 2 0 341.459 1.620 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034430 451092747 /nfs/dbraw/zinc/09/27/47/451092747.db2.gz GOVWGIHYDHXFMI-KBPBESRZSA-N 2 0 338.452 1.516 20 0 EDADRP CC(C)C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)n1ccnc1 ZINC000635611010 451102892 /nfs/dbraw/zinc/10/28/92/451102892.db2.gz KFMSHMPHJQNIGY-IAGOWNOFSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000627071842 451111349 /nfs/dbraw/zinc/11/13/49/451111349.db2.gz VVLZCMYPBYJVJX-QGZVFWFLSA-N 2 0 336.480 1.687 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000627088108 451119162 /nfs/dbraw/zinc/11/91/62/451119162.db2.gz FPBWQFUGUAQLFE-UPJWGTAASA-N 2 0 336.402 1.673 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000627114982 451131575 /nfs/dbraw/zinc/13/15/75/451131575.db2.gz NJBCKXSOFWRINQ-YESZJQIVSA-N 2 0 346.450 1.855 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627155634 451153069 /nfs/dbraw/zinc/15/30/69/451153069.db2.gz ATALYZILAUCGGI-UHFFFAOYSA-N 2 0 334.464 1.268 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635687101 451169631 /nfs/dbraw/zinc/16/96/31/451169631.db2.gz NCWISYFABKGHLX-UHFFFAOYSA-N 2 0 347.503 1.512 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627195572 451180253 /nfs/dbraw/zinc/18/02/53/451180253.db2.gz CGVYFGNHDAJVSA-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCCOCCC[NH3+])CC1 ZINC000627212478 451190298 /nfs/dbraw/zinc/19/02/98/451190298.db2.gz WPHCRZXPHTVADT-UHFFFAOYSA-N 2 0 338.452 1.251 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(C)(C)C[NH+]3CCOCC3)C2)CC1 ZINC000635737180 451208282 /nfs/dbraw/zinc/20/82/82/451208282.db2.gz VLBZLYPIKMCOGI-QGZVFWFLSA-N 2 0 337.508 1.535 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)ccn1 ZINC000635747470 451216814 /nfs/dbraw/zinc/21/68/14/451216814.db2.gz UYYGWBXMYPUTSA-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000638082603 451245765 /nfs/dbraw/zinc/24/57/65/451245765.db2.gz FMWKIYIFMYEUMI-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000638085326 451250355 /nfs/dbraw/zinc/25/03/55/451250355.db2.gz XUCOKAUJJRIILV-XSWJXKHESA-N 2 0 325.497 1.626 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638088039 451254156 /nfs/dbraw/zinc/25/41/56/451254156.db2.gz YJSJRNBZNDLKBY-OXQOHEQNSA-N 2 0 345.487 1.708 20 0 EDADRP C[C@@H](NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000638091638 451257940 /nfs/dbraw/zinc/25/79/40/451257940.db2.gz PGABUHWJUNSVPG-CRAIPNDOSA-N 2 0 332.492 1.292 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638110617 451277780 /nfs/dbraw/zinc/27/77/80/451277780.db2.gz GVNWXRAXTGBNIL-MJGOQNOKSA-N 2 0 331.460 1.345 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000638111037 451278125 /nfs/dbraw/zinc/27/81/25/451278125.db2.gz BIPGHZHTVSVNBS-INIZCTEOSA-N 2 0 342.443 1.498 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000636556936 451300040 /nfs/dbraw/zinc/30/00/40/451300040.db2.gz IWEBLJDNIOVSBG-ZWKOTPCHSA-N 2 0 346.475 1.189 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000638130912 451302528 /nfs/dbraw/zinc/30/25/28/451302528.db2.gz BJURPMNJDGOTPX-ZMSDIMECSA-N 2 0 339.867 1.826 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CCCC[NH2+]1 ZINC000638131902 451304167 /nfs/dbraw/zinc/30/41/67/451304167.db2.gz FTFVMXOKIDFDQJ-SFHVURJKSA-N 2 0 341.496 1.151 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccc(Cl)cc1 ZINC000638134814 451307377 /nfs/dbraw/zinc/30/73/77/451307377.db2.gz QEJSKVYYHUYUGG-DOTOQJQBSA-N 2 0 339.867 1.814 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H](OC)C2CCOCC2)C1 ZINC000638135663 451309013 /nfs/dbraw/zinc/30/90/13/451309013.db2.gz VQGSGLGNVUSCFW-QZTJIDSGSA-N 2 0 328.497 1.861 20 0 EDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000638138504 451313277 /nfs/dbraw/zinc/31/32/77/451313277.db2.gz CHYXABRMPUAFCR-CQSZACIVSA-N 2 0 334.464 1.774 20 0 EDADRP CCC[NH2+]CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638144724 451318134 /nfs/dbraw/zinc/31/81/34/451318134.db2.gz DULQYXMZHFYYPD-QUCCMNQESA-N 2 0 345.487 1.641 20 0 EDADRP C[C@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000640575859 451420276 /nfs/dbraw/zinc/42/02/76/451420276.db2.gz LMGJXEYNDXURDB-KFWWJZLASA-N 2 0 349.479 1.762 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@@]2(C)C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000638307802 451421042 /nfs/dbraw/zinc/42/10/42/451421042.db2.gz CTSMIEBGNPVUHR-IMFGXOCKSA-N 2 0 345.487 1.782 20 0 EDADRP [NH3+]C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000634690897 451466744 /nfs/dbraw/zinc/46/67/44/451466744.db2.gz WMPDKCJXSHTLKN-HNNXBMFYSA-N 2 0 342.487 1.682 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(O)CCOCC2)CC1 ZINC000634699240 451471511 /nfs/dbraw/zinc/47/15/11/451471511.db2.gz GWRQSVUSECYQBT-QGZVFWFLSA-N 2 0 328.497 1.381 20 0 EDADRP CCCN(CC[NH+](C)C)C(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638377656 451473434 /nfs/dbraw/zinc/47/34/34/451473434.db2.gz QYEVKDWENONMIL-NSHDSACASA-N 2 0 344.410 1.164 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CC1(O)CCOCC1 ZINC000634706528 451484213 /nfs/dbraw/zinc/48/42/13/451484213.db2.gz RASJVHRAVILYGR-SFHVURJKSA-N 2 0 340.508 1.666 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)C1 ZINC000634715576 451495553 /nfs/dbraw/zinc/49/55/53/451495553.db2.gz GEULMJHYPYQSAH-UXHICEINSA-N 2 0 331.504 1.945 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)CCO1 ZINC000638432809 451512377 /nfs/dbraw/zinc/51/23/77/451512377.db2.gz NCKVCTKBYNXUOX-SFHVURJKSA-N 2 0 345.487 1.444 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000638435117 451513865 /nfs/dbraw/zinc/51/38/65/451513865.db2.gz BHKLMCLXQLJYPH-PKOBYXMFSA-N 2 0 345.487 1.803 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636793902 451514598 /nfs/dbraw/zinc/51/45/98/451514598.db2.gz DLHCMKFUONMTLD-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000634761534 451531944 /nfs/dbraw/zinc/53/19/44/451531944.db2.gz CZPQQCFPKZYBPM-ZBFHGGJFSA-N 2 0 328.460 1.932 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636837728 451545384 /nfs/dbraw/zinc/54/53/84/451545384.db2.gz UEIGCSQNRJTHKE-INIZCTEOSA-N 2 0 334.468 1.756 20 0 EDADRP CCN(CC[NH3+])C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638515236 451553581 /nfs/dbraw/zinc/55/35/81/451553581.db2.gz BWIUHNAUWKDZQH-MJGOQNOKSA-N 2 0 331.460 1.332 20 0 EDADRP [NH3+]C1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCOCC1 ZINC000638540562 451568930 /nfs/dbraw/zinc/56/89/30/451568930.db2.gz PCOGLLVCYYFGMM-UHFFFAOYSA-N 2 0 326.400 1.485 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000638570837 451582736 /nfs/dbraw/zinc/58/27/36/451582736.db2.gz BPFAJVQSEBITLK-ZWKOTPCHSA-N 2 0 330.476 1.455 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc4c(cn3)OCCO4)C2)CC1 ZINC000638589763 451592591 /nfs/dbraw/zinc/59/25/91/451592591.db2.gz YEDJXTCLVNVXEB-CQSZACIVSA-N 2 0 332.448 1.111 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634957608 451624418 /nfs/dbraw/zinc/62/44/18/451624418.db2.gz RQWGTKXQMCVTEG-MRXNPFEDSA-N 2 0 340.489 1.684 20 0 EDADRP COCC[NH2+]CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000638664866 451639689 /nfs/dbraw/zinc/63/96/89/451639689.db2.gz WPOMLDMMNDQLJA-AWEZNQCLSA-N 2 0 348.274 1.948 20 0 EDADRP O=C(CN1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1)Nc1ccccc1 ZINC000634995583 451641994 /nfs/dbraw/zinc/64/19/94/451641994.db2.gz JGHRFMRUEGZBDN-UHFFFAOYSA-N 2 0 328.460 1.431 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000638748414 451674488 /nfs/dbraw/zinc/67/44/88/451674488.db2.gz IBARMEWBWXCQRE-SPUZQDLCSA-N 2 0 337.508 1.791 20 0 EDADRP C[C@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CS1 ZINC000638799811 451694815 /nfs/dbraw/zinc/69/48/15/451694815.db2.gz QNVZGGFPWFAYFU-UAGQMJEPSA-N 2 0 335.517 1.759 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844012 451707855 /nfs/dbraw/zinc/70/78/55/451707855.db2.gz VJJMUZQSMWPDDH-APWZRJJASA-N 2 0 331.460 1.481 20 0 EDADRP O=C(N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCO1 ZINC000638851486 451710777 /nfs/dbraw/zinc/71/07/77/451710777.db2.gz MCTKLGXXBHVMRT-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000632962104 451670748 /nfs/dbraw/zinc/67/07/48/451670748.db2.gz XHHASKLPNMIBDR-QLFBSQMISA-N 2 0 346.479 1.659 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCCC3=CC[NH2+]CC3)cn2)CC1 ZINC000632962342 451670890 /nfs/dbraw/zinc/67/08/90/451670890.db2.gz ZRJULSYGHPOGAY-UHFFFAOYSA-N 2 0 332.452 1.581 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCC[NH2+]CC2)C1 ZINC000641032055 451735672 /nfs/dbraw/zinc/73/56/72/451735672.db2.gz GHIXNODSGZPZAI-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C[C@H]3C)cc2)CC1 ZINC000638938956 451740500 /nfs/dbraw/zinc/74/05/00/451740500.db2.gz ZRBKZLPYZCYXJD-NVXWUHKLSA-N 2 0 330.476 1.779 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151134 451741690 /nfs/dbraw/zinc/74/16/90/451741690.db2.gz XPJDZCIHTUPMPA-SZMVWBNQSA-N 2 0 346.475 1.015 20 0 EDADRP COC[C@@]1(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CCCC[NH2+]1 ZINC000638978145 451744858 /nfs/dbraw/zinc/74/48/58/451744858.db2.gz VXXPZULGKKANEQ-QGZVFWFLSA-N 2 0 335.452 1.247 20 0 EDADRP Cc1cccc2c1C[C@H](C(=O)Nc1cc(N3CC[NH2+]CC3)cc[nH+]1)N2 ZINC000638984074 451746059 /nfs/dbraw/zinc/74/60/59/451746059.db2.gz PZJMJEJABVSCPV-QGZVFWFLSA-N 2 0 337.427 1.775 20 0 EDADRP COc1cccc(NCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c1 ZINC000638985168 451746273 /nfs/dbraw/zinc/74/62/73/451746273.db2.gz BBKUQEXLHSAXDJ-UHFFFAOYSA-N 2 0 341.415 1.550 20 0 EDADRP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CC[NH2+]CC1 ZINC000638986899 451746999 /nfs/dbraw/zinc/74/69/99/451746999.db2.gz GXSIMYRKAZHGGU-CQSZACIVSA-N 3 0 331.464 1.456 20 0 EDADRP O=C(Cc1c[nH]c2ncccc12)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986496 451747516 /nfs/dbraw/zinc/74/75/16/451747516.db2.gz QSUICZWENRXHLB-UHFFFAOYSA-N 2 0 336.399 1.549 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@H]43)ccn2)CC1 ZINC000639025403 451754157 /nfs/dbraw/zinc/75/41/57/451754157.db2.gz RMUNKXODFMQOJN-DLBZAZTESA-N 2 0 343.475 1.048 20 0 EDADRP C[C@H]1CN(C(=O)NCC[NH2+]C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000637347211 451796642 /nfs/dbraw/zinc/79/66/42/451796642.db2.gz CHOJFIOMWOOVHO-MRXNPFEDSA-N 2 0 330.476 1.902 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@H]1CCOC1 ZINC000639310948 451820088 /nfs/dbraw/zinc/82/00/88/451820088.db2.gz ZNSIOOIUZREJRT-IPMKNSEASA-N 2 0 334.460 1.394 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn3cc(Br)cnc23)C1 ZINC000639312829 451822464 /nfs/dbraw/zinc/82/24/64/451822464.db2.gz NZIBMGHFDAMVBH-GSJFWJNXSA-N 2 0 338.253 1.922 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561693 451863214 /nfs/dbraw/zinc/86/32/14/451863214.db2.gz FELZUFPLYUPULU-MJGOQNOKSA-N 2 0 347.503 1.493 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000642439986 451880078 /nfs/dbraw/zinc/88/00/78/451880078.db2.gz UOEBRCCEWYDDLJ-JKSUJKDBSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000642687256 451916636 /nfs/dbraw/zinc/91/66/36/451916636.db2.gz QEXWZNBMFCELOA-HNNXBMFYSA-N 2 0 346.475 1.142 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639582760 451955686 /nfs/dbraw/zinc/95/56/86/451955686.db2.gz FOGPLSPPUXMCEK-SFHVURJKSA-N 2 0 348.535 1.489 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000642789203 451964860 /nfs/dbraw/zinc/96/48/60/451964860.db2.gz VIOFUYQATNZSPU-MRXNPFEDSA-N 2 0 344.459 1.067 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)CC[C@H]1[NH3+] ZINC000642787178 451964879 /nfs/dbraw/zinc/96/48/79/451964879.db2.gz CMWORBRFTBTWLY-JKSUJKDBSA-N 2 0 340.512 1.197 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000642788989 451965042 /nfs/dbraw/zinc/96/50/42/451965042.db2.gz KYNOVBYXORKHSS-IAOVAPTHSA-N 2 0 344.459 1.018 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COC1(C)C[NH2+]C1)Cc1ccccc1 ZINC000649292588 451968929 /nfs/dbraw/zinc/96/89/29/451968929.db2.gz RICYWQAESFITPM-KRWDZBQOSA-N 2 0 333.476 1.434 20 0 EDADRP C[N@H+](CCCNC(=O)CN1CCCC[C@@H]([NH3+])C1=O)C1CCCCC1 ZINC000649293707 451969320 /nfs/dbraw/zinc/96/93/20/451969320.db2.gz FQMOPQSUDOCDGG-MRXNPFEDSA-N 2 0 338.496 1.097 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000649294899 451970779 /nfs/dbraw/zinc/97/07/79/451970779.db2.gz RDXPBXBZJDHBHK-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649295474 451971454 /nfs/dbraw/zinc/97/14/54/451971454.db2.gz OBXZVULXOSHPIP-XHSDSOJGSA-N 2 0 348.495 1.300 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2C[NH2+]CCOC2)c2ccccc2)CC1 ZINC000649303973 451979626 /nfs/dbraw/zinc/97/96/26/451979626.db2.gz WOTZFGLGRRJTQZ-MOPGFXCFSA-N 2 0 345.487 1.812 20 0 EDADRP CCN(C(=O)C(=O)NC[C@H](C)[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000642907503 451984751 /nfs/dbraw/zinc/98/47/51/451984751.db2.gz ABJXBKMICDXSQP-YQQAZPJKSA-N 2 0 346.475 1.134 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310533 451988594 /nfs/dbraw/zinc/98/85/94/451988594.db2.gz QVUBRIIDEPVHMV-ICSRJNTNSA-N 2 0 345.487 1.436 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000642976687 452004899 /nfs/dbraw/zinc/00/48/99/452004899.db2.gz MTJKYYYIGNGFMK-PBHICJAKSA-N 2 0 344.459 1.019 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnnn2-c2ccccc2)CC1 ZINC000651677735 452009121 /nfs/dbraw/zinc/00/91/21/452009121.db2.gz RQCRVERTRHPMCG-INIZCTEOSA-N 2 0 328.464 1.383 20 0 EDADRP [NH3+]C1CCC(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC1 ZINC000649344431 452024806 /nfs/dbraw/zinc/02/48/06/452024806.db2.gz XWBCBWMXBGKDQK-UHFFFAOYSA-N 2 0 337.508 1.903 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(C[NH3+])c2)c2ccccc2O1 ZINC000649347015 452030648 /nfs/dbraw/zinc/03/06/48/452030648.db2.gz AQSLWWKTAYSDMG-OAHLLOKOSA-N 2 0 326.400 1.510 20 0 EDADRP CCc1cccc(CC)c1S(=O)(=O)N(CCC[NH3+])CCC[NH3+] ZINC000643088711 452036140 /nfs/dbraw/zinc/03/61/40/452036140.db2.gz NMYUTZDGXRETBE-UHFFFAOYSA-N 2 0 327.494 1.500 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[C@H]1[NH3+] ZINC000649358727 452039844 /nfs/dbraw/zinc/03/98/44/452039844.db2.gz ANJUEASMZLNMFI-PKOBYXMFSA-N 2 0 344.503 1.633 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000643248494 452094113 /nfs/dbraw/zinc/09/41/13/452094113.db2.gz ZOPWBHKNXRVPCT-UHFFFAOYSA-N 2 0 331.464 1.786 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760138 452097944 /nfs/dbraw/zinc/09/79/44/452097944.db2.gz REYLRZDZDBHTLV-UHFFFAOYSA-N 2 0 345.487 1.772 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000643294143 452120535 /nfs/dbraw/zinc/12/05/35/452120535.db2.gz GPMMSJDWWLJXMN-ZACQAIPSSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CC[NH+](C)C3CCCCC3)[C@H]2C1 ZINC000647216725 452130215 /nfs/dbraw/zinc/13/02/15/452130215.db2.gz CDNYHRDYIAVFFO-ZWKOTPCHSA-N 2 0 337.508 1.963 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CN1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649610692 452166238 /nfs/dbraw/zinc/16/62/38/452166238.db2.gz YOCBHLADYUAKPX-NHCUHLMSSA-N 2 0 342.531 1.973 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(S(=O)(=O)NC4CC4)cc3)C2)C1 ZINC000649617801 452170056 /nfs/dbraw/zinc/17/00/56/452170056.db2.gz XQEOKZCSTJOIIO-SFHVURJKSA-N 2 0 349.500 1.655 20 0 EDADRP C[C@@H](O)C[N@H+](Cc1cncc(C[NH+](C[C@H](C)O)C2CC2)c1)C1CC1 ZINC000653903794 452170679 /nfs/dbraw/zinc/17/06/79/452170679.db2.gz KYLSBATWEAUWNN-GASCZTMLSA-N 2 0 333.476 1.772 20 0 EDADRP c1nc(NC2CC2)cc(N[C@@H]2CCC[N@@H+](CCN3CCOCC3)C2)n1 ZINC000641717628 452216385 /nfs/dbraw/zinc/21/63/85/452216385.db2.gz DOVDIYRQPZIBLF-MRXNPFEDSA-N 2 0 346.479 1.259 20 0 EDADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000654052784 452220175 /nfs/dbraw/zinc/22/01/75/452220175.db2.gz BJWSMFPHQRSWMZ-OTVXOJSOSA-N 2 0 334.468 1.612 20 0 EDADRP Nc1nc(N2CCC[C@H](C[NH+]3CCOCC3)C2)c2c([nH+]1)CCCC2 ZINC000645234450 452226355 /nfs/dbraw/zinc/22/63/55/452226355.db2.gz SIDPKRAPSFDRSV-CQSZACIVSA-N 2 0 331.464 1.486 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CCO1 ZINC000663545937 452251470 /nfs/dbraw/zinc/25/14/70/452251470.db2.gz QPBBPZBHLPHDGM-KRWDZBQOSA-N 2 0 338.496 1.365 20 0 EDADRP O=C([C@H]1C[C@]12CCC[NH2+]C2)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000655471235 452264205 /nfs/dbraw/zinc/26/42/05/452264205.db2.gz JJLGSFCRTVKENL-QUCCMNQESA-N 2 0 349.519 1.727 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[C@H]1F ZINC000659423799 452264964 /nfs/dbraw/zinc/26/49/64/452264964.db2.gz PNKBLQXGZQQTMA-BRWVUGGUSA-N 2 0 334.439 1.904 20 0 EDADRP CC(C)n1ccnc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000657490501 452277789 /nfs/dbraw/zinc/27/77/89/452277789.db2.gz LQYYXSYSKJTXMC-UHFFFAOYSA-N 2 0 335.496 1.350 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)(N2CCOCC2)C1 ZINC000647551553 452279543 /nfs/dbraw/zinc/27/95/43/452279543.db2.gz UWISHDXBXZQNJC-QHIRMHHVSA-N 2 0 337.508 1.234 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659438005 452287287 /nfs/dbraw/zinc/28/72/87/452287287.db2.gz LQKYUAXWNVHTEK-QZTJIDSGSA-N 2 0 348.491 1.400 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)NCC3([NH3+])CCCC3)CC2)CC1 ZINC000659444663 452293674 /nfs/dbraw/zinc/29/36/74/452293674.db2.gz GDPGPGXFDQWXLL-UHFFFAOYSA-N 2 0 337.512 1.116 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643536115 452301198 /nfs/dbraw/zinc/30/11/98/452301198.db2.gz MVOGRYAEBVTHRI-BBRMVZONSA-N 2 0 337.489 1.744 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659456666 452307882 /nfs/dbraw/zinc/30/78/82/452307882.db2.gz QCFJYSXSKSUTNC-JKSUJKDBSA-N 2 0 340.512 1.694 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652118049 452314202 /nfs/dbraw/zinc/31/42/02/452314202.db2.gz MUSMLEOEYBAJAG-YESZJQIVSA-N 2 0 340.512 1.646 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000638051012 452322696 /nfs/dbraw/zinc/32/26/96/452322696.db2.gz AXSQLFQQAIPRPA-JJRVBVJISA-N 2 0 337.489 1.768 20 0 EDADRP CCc1ccc([C@H](CNC(=O)c2cnc(C[NH3+])nc2)[NH+](C)C)cc1 ZINC000638050833 452323441 /nfs/dbraw/zinc/32/34/41/452323441.db2.gz RXLXXTQKRAMZBW-INIZCTEOSA-N 2 0 327.432 1.530 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1ccco1 ZINC000647593946 452331182 /nfs/dbraw/zinc/33/11/82/452331182.db2.gz YZXMBMKYEWTYOI-BFHYXJOUSA-N 2 0 338.452 1.021 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652140505 452333327 /nfs/dbraw/zinc/33/33/27/452333327.db2.gz RLUINMNGIUBCFR-NXOAAHMSSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000657573691 452342524 /nfs/dbraw/zinc/34/25/24/452342524.db2.gz OSPHRMIAEZDJJM-INIZCTEOSA-N 2 0 344.507 1.844 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCC1 ZINC000659485929 452346189 /nfs/dbraw/zinc/34/61/89/452346189.db2.gz NFZLDFHHWFAJEG-IAGOWNOFSA-N 2 0 330.476 1.916 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000638058306 452347313 /nfs/dbraw/zinc/34/73/13/452347313.db2.gz ARFMEALPNPRUIT-DAYGRLMNSA-N 2 0 349.475 1.181 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638060570 452351137 /nfs/dbraw/zinc/35/11/37/452351137.db2.gz XJAJTKKNRZAKFS-ZWKOTPCHSA-N 2 0 332.492 1.388 20 0 EDADRP C[NH+]1CCN(CCNC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)CC1 ZINC000665771150 452354794 /nfs/dbraw/zinc/35/47/94/452354794.db2.gz VZRDKIWMAHQOMZ-KRWDZBQOSA-N 2 0 341.459 1.295 20 0 EDADRP CC[C@@]1(O)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035740 452372568 /nfs/dbraw/zinc/37/25/68/452372568.db2.gz NAWNOYKUGIFBRC-IEBWSBKVSA-N 2 0 333.476 1.642 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659512065 452376372 /nfs/dbraw/zinc/37/63/72/452376372.db2.gz LROQASDBCZNZHT-SFHVURJKSA-N 2 0 348.491 1.441 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638069953 452377440 /nfs/dbraw/zinc/37/74/40/452377440.db2.gz NVZWNFFAWGXQCU-FUHWJXTLSA-N 2 0 332.492 1.436 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000659524279 452387139 /nfs/dbraw/zinc/38/71/39/452387139.db2.gz RLZGMQSETGBBAU-YJBOKZPZSA-N 2 0 348.491 1.959 20 0 EDADRP CN(C)c1ncc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000657611651 452388716 /nfs/dbraw/zinc/38/87/16/452388716.db2.gz BDOAZULJCXCRDS-UHFFFAOYSA-N 2 0 340.475 1.939 20 0 EDADRP O=C(NCC1C[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659526814 452390712 /nfs/dbraw/zinc/39/07/12/452390712.db2.gz GJLMVWWOCPUGGA-SFHVURJKSA-N 2 0 342.487 1.807 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659528177 452390926 /nfs/dbraw/zinc/39/09/26/452390926.db2.gz AWYURYRHDZZPEF-JVLSTEMRSA-N 2 0 326.391 1.447 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659532093 452392195 /nfs/dbraw/zinc/39/21/95/452392195.db2.gz AIOVLTGCCUUYPV-UHFFFAOYSA-N 2 0 336.480 1.096 20 0 EDADRP CN(CC(=O)N1CCN(C)CC1)Cc1ccc(-c2ccccn2)nc1 ZINC000640051172 452394509 /nfs/dbraw/zinc/39/45/09/452394509.db2.gz KGWYSTYWQITJPH-UHFFFAOYSA-N 2 0 339.443 1.349 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659536660 452395504 /nfs/dbraw/zinc/39/55/04/452395504.db2.gz ISETVADXQFUWPX-YJBOKZPZSA-N 2 0 345.491 1.591 20 0 EDADRP NC(=O)C1([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)CCOCC1 ZINC000661595629 452395734 /nfs/dbraw/zinc/39/57/34/452395734.db2.gz WELJFRJYPRAHRJ-UHFFFAOYSA-N 2 0 331.460 1.797 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000652208581 452404502 /nfs/dbraw/zinc/40/45/02/452404502.db2.gz IVVGRPBGAYGYRI-MLHJIOFPSA-N 2 0 346.475 1.614 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCCC2CC[NH2+]CC2)CCO1 ZINC000659562207 452418065 /nfs/dbraw/zinc/41/80/65/452418065.db2.gz YJFUYDOZNAKTDM-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CN(CCC[NH3+])C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659580938 452435403 /nfs/dbraw/zinc/43/54/03/452435403.db2.gz FKIKMQOVEKXPCM-IUODEOHRSA-N 2 0 326.391 1.401 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000659601223 452458142 /nfs/dbraw/zinc/45/81/42/452458142.db2.gz SMACCPMDARFGEY-FUHWJXTLSA-N 2 0 349.523 1.083 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000659611638 452469512 /nfs/dbraw/zinc/46/95/12/452469512.db2.gz SRAVFHPUSSZXRK-YVSFHVDLSA-N 2 0 338.496 1.399 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000652294260 452477881 /nfs/dbraw/zinc/47/78/81/452477881.db2.gz YKDLDSIKSZMKAO-UHFFFAOYSA-N 2 0 346.475 1.631 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000663762527 452490555 /nfs/dbraw/zinc/49/05/55/452490555.db2.gz DAPRPBAEICGDKB-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP CCN(CC(F)(F)F)C(=O)[C@@H]1CCC[N@H+](C[C@@](C)(O)C[NH2+]C)C1 ZINC000652338206 452508079 /nfs/dbraw/zinc/50/80/79/452508079.db2.gz JPDXKEOCCJGDQP-OCCSQVGLSA-N 2 0 339.402 1.080 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346181 452518900 /nfs/dbraw/zinc/51/89/00/452518900.db2.gz VSXUYWMGAKZRJS-WNRNVDISSA-N 2 0 337.508 1.852 20 0 EDADRP OC1CC[NH+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655698884 452520085 /nfs/dbraw/zinc/52/00/85/452520085.db2.gz YUXBLHXDTKDJGS-GOSISDBHSA-N 2 0 325.497 1.066 20 0 EDADRP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000647789783 452522291 /nfs/dbraw/zinc/52/22/91/452522291.db2.gz LKAQEGNRGIQXFV-TWMKSMIVSA-N 2 0 325.522 1.172 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348475 452522947 /nfs/dbraw/zinc/52/29/47/452522947.db2.gz FKLFFIFYWPSTKN-GBESFXJTSA-N 2 0 345.487 1.830 20 0 EDADRP Cc1ccc([C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)N2CCOCC2)o1 ZINC000647788925 452523185 /nfs/dbraw/zinc/52/31/85/452523185.db2.gz VLPLCEKLJRFIHC-XDNAFOTISA-N 2 0 333.476 1.939 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)CN1CCc2ccccc2C1 ZINC000647791586 452524411 /nfs/dbraw/zinc/52/44/11/452524411.db2.gz IATLPYMBCMRYRB-GSEOLPGOSA-N 2 0 329.488 1.383 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCCn2nccc21)c1ccccc1 ZINC000640220689 452528061 /nfs/dbraw/zinc/52/80/61/452528061.db2.gz NLTHHPCDTSCHDB-FUHWJXTLSA-N 2 0 341.459 1.727 20 0 EDADRP C[NH+](C)C1(CNC2CC[NH+]([C@@H]3CCOC3)CC2)Cc2ccccc2C1 ZINC000655716233 452535462 /nfs/dbraw/zinc/53/54/62/452535462.db2.gz USJYXBLLIPLXAX-HXUWFJFHSA-N 2 0 343.515 1.929 20 0 EDADRP O=C1[C@H]([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000655726748 452538825 /nfs/dbraw/zinc/53/88/25/452538825.db2.gz DQVKJZMXLGCQKR-UONOGXRCSA-N 2 0 349.397 1.383 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccc(F)cc2)C1 ZINC000652360162 452541108 /nfs/dbraw/zinc/54/11/08/452541108.db2.gz BVFPHSIHUINOHU-KZNAEPCWSA-N 2 0 349.450 1.803 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2ccccc2F)C1 ZINC000652361267 452541256 /nfs/dbraw/zinc/54/12/56/452541256.db2.gz BKOLWOMGYCSZEO-BPQIPLTHSA-N 2 0 349.450 1.803 20 0 EDADRP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)no1 ZINC000652361642 452541919 /nfs/dbraw/zinc/54/19/19/452541919.db2.gz LMJPEWSSGDDWDW-RBSFLKMASA-N 2 0 336.436 1.094 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659682238 452557433 /nfs/dbraw/zinc/55/74/33/452557433.db2.gz HXGHMNPZLGLJDD-ZBFHGGJFSA-N 2 0 346.475 1.134 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663831581 452557949 /nfs/dbraw/zinc/55/79/49/452557949.db2.gz WNPRUODYRUFHSZ-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663849990 452575770 /nfs/dbraw/zinc/57/57/70/452575770.db2.gz OVDJDZXZXGDUCZ-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(c3[nH+]ccc4[nH]ccc43)CC2)C1 ZINC000647867139 452604643 /nfs/dbraw/zinc/60/46/43/452604643.db2.gz AEWRCLXSKHZVQY-MRXNPFEDSA-N 2 0 343.475 1.794 20 0 EDADRP O=C1[C@@H](N2CCN(C[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884896 452623522 /nfs/dbraw/zinc/62/35/22/452623522.db2.gz HNZLRPPZAOTTHE-AEFFLSMTSA-N 2 0 328.460 1.019 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H](C[NH3+])C(F)(F)F)Cc1ccc(F)cc1 ZINC000655919176 452680762 /nfs/dbraw/zinc/68/07/62/452680762.db2.gz GCKRVSYNLWFRMT-GFCCVEGCSA-N 2 0 336.333 1.446 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655930744 452700472 /nfs/dbraw/zinc/70/04/72/452700472.db2.gz UAUIHQZKXZEFMM-NHCYSSNCSA-N 2 0 336.358 1.898 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655930776 452700896 /nfs/dbraw/zinc/70/08/96/452700896.db2.gz BRRLOGLOGIYDRL-NSHDSACASA-N 2 0 338.399 1.711 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCc2noc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000655937003 452706884 /nfs/dbraw/zinc/70/68/84/452706884.db2.gz SCKGJYPLUZAHAE-HNNXBMFYSA-N 2 0 342.443 1.514 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CC1(C[NH2+][C@@H](C)Cn2cccn2)CCC1 ZINC000647962936 452707230 /nfs/dbraw/zinc/70/72/30/452707230.db2.gz BKCPQOHIDGVKDF-CALCHBBNSA-N 2 0 330.480 1.906 20 0 EDADRP Cc1ccc(CN2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940534 452709800 /nfs/dbraw/zinc/70/98/00/452709800.db2.gz UCMWYWZZEWECOP-DLBZAZTESA-N 2 0 329.448 1.110 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000655940756 452710102 /nfs/dbraw/zinc/71/01/02/452710102.db2.gz WXKGNIYVMVNKKW-IRXDYDNUSA-N 2 0 329.448 1.110 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978143 452722544 /nfs/dbraw/zinc/72/25/44/452722544.db2.gz NFHBKPBQHCPQMW-ZRNYENFQSA-N 3 0 331.504 1.629 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000647977432 452722693 /nfs/dbraw/zinc/72/26/93/452722693.db2.gz BFMHMLGXDUDEHV-XWSJACJDSA-N 2 0 349.519 1.868 20 0 EDADRP c1nn(-c2ccccc2)cc1CN1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000647989094 452730559 /nfs/dbraw/zinc/73/05/59/452730559.db2.gz HMCSITFJGWJPOF-QGZVFWFLSA-N 2 0 325.460 1.599 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971033 452752236 /nfs/dbraw/zinc/75/22/36/452752236.db2.gz QFBWYFDMNLORDP-XLMAVXFVSA-N 2 0 338.496 1.269 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C[C@@H]1CNc2ccnn2C1 ZINC000648035015 452771217 /nfs/dbraw/zinc/77/12/17/452771217.db2.gz OWPLOLKHVNTZTQ-IRXDYDNUSA-N 2 0 334.512 1.273 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000652616817 452775269 /nfs/dbraw/zinc/77/52/69/452775269.db2.gz BYJCEYUILSZRMI-CQSZACIVSA-N 2 0 344.419 1.236 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000664095380 452785055 /nfs/dbraw/zinc/78/50/55/452785055.db2.gz JHQXOIBCTWAZKO-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(C)CC[NH+]2CCCCC2)cc1 ZINC000652645274 452802428 /nfs/dbraw/zinc/80/24/28/452802428.db2.gz VTSBMTKJZVQCRA-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NCCC[NH+]1CCCCC1 ZINC000652672180 452820744 /nfs/dbraw/zinc/82/07/44/452820744.db2.gz AMDOSIAEBBJWPL-UHFFFAOYSA-N 2 0 346.475 1.014 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648115257 452831012 /nfs/dbraw/zinc/83/10/12/452831012.db2.gz MMTWJNQMXNILRS-INIZCTEOSA-N 2 0 336.439 1.937 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000648117334 452832640 /nfs/dbraw/zinc/83/26/40/452832640.db2.gz TYZRSQWFPXRJMC-ILXRZTDVSA-N 2 0 336.505 1.765 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648117936 452834898 /nfs/dbraw/zinc/83/48/98/452834898.db2.gz OOLUXEDPLZBWFA-QXSJWSMHSA-N 2 0 331.485 1.684 20 0 EDADRP O=C([C@@H]1C[C@]12CC[NH2+]C2)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119090 452835095 /nfs/dbraw/zinc/83/50/95/452835095.db2.gz NYQASCYTGUIPSK-DEYYWGMASA-N 2 0 346.500 1.613 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)C1CCCCC1 ZINC000652694650 452842044 /nfs/dbraw/zinc/84/20/44/452842044.db2.gz DBALXSTWCNBGHE-INIZCTEOSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)COC3(C)C[NH2+]C3)c2)CC1 ZINC000648165104 452875966 /nfs/dbraw/zinc/87/59/66/452875966.db2.gz DDJHHDMYLOIULE-UHFFFAOYSA-N 2 0 346.475 1.534 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656153492 452906855 /nfs/dbraw/zinc/90/68/55/452906855.db2.gz SYZDSPTXQNQODS-PNYFIKQUSA-N 2 0 349.519 1.567 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000645935938 452914203 /nfs/dbraw/zinc/91/42/03/452914203.db2.gz NIQOXDHCXQPXPE-KRWDZBQOSA-N 2 0 331.460 1.258 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@@H]([NH3+])CCO4)C3)ccc21 ZINC000650705958 452942795 /nfs/dbraw/zinc/94/27/95/452942795.db2.gz BBWZSMYEOKURLQ-MPGHIAIKSA-N 2 0 329.448 1.687 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722370 452952647 /nfs/dbraw/zinc/95/26/47/452952647.db2.gz QXZDJBAVGRRQDH-KZNAEPCWSA-N 2 0 331.460 1.907 20 0 EDADRP CCC(CC)(CO)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000654838660 452963754 /nfs/dbraw/zinc/96/37/54/452963754.db2.gz BIDCFJPUQZCRRR-UHFFFAOYSA-N 2 0 339.524 1.852 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977738 452966271 /nfs/dbraw/zinc/96/62/71/452966271.db2.gz KDZPULNYZFYTKA-QFBILLFUSA-N 2 0 342.487 1.158 20 0 EDADRP c1ccc2c(c1)cccc2C[NH+]1CCN(C[C@@H]2C[NH2+]CCO2)CC1 ZINC000662257703 452985441 /nfs/dbraw/zinc/98/54/41/452985441.db2.gz FTWJYPAIIIEEIG-IBGZPJMESA-N 2 0 325.456 1.946 20 0 EDADRP c1cc(N2CCC([NH2+]Cc3nc([C@@H]4CCCO4)n[nH]3)CC2)cc[nH+]1 ZINC000656269242 453000006 /nfs/dbraw/zinc/00/00/06/453000006.db2.gz MYEBYQMMBZTBDP-HNNXBMFYSA-N 2 0 328.420 1.810 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@@H]3CN(C[C@H]4C[NH2+]CCO4)CC[C@@H]32)cc1 ZINC000662278789 453004830 /nfs/dbraw/zinc/00/48/30/453004830.db2.gz ARLSQPCDLVVSGG-AQNXPRMDSA-N 2 0 329.488 1.961 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000664369090 453040069 /nfs/dbraw/zinc/04/00/69/453040069.db2.gz YKUFUJPBORABBO-JYJNAYRXSA-N 2 0 339.528 1.183 20 0 EDADRP CCc1nocc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337223 453053197 /nfs/dbraw/zinc/05/31/97/453053197.db2.gz KHIOMGHXLZMIKZ-AWEZNQCLSA-N 2 0 344.463 1.749 20 0 EDADRP FC(F)COCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338601 453054908 /nfs/dbraw/zinc/05/49/08/453054908.db2.gz UBOYMUROFXFZLO-CYBMUJFWSA-N 2 0 343.422 1.280 20 0 EDADRP CC(C)CNC(=O)CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000660139302 453069728 /nfs/dbraw/zinc/06/97/28/453069728.db2.gz RPCQUXULDNYBAU-UHFFFAOYSA-N 2 0 326.529 1.497 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662367523 453078456 /nfs/dbraw/zinc/07/84/56/453078456.db2.gz AYFIQQYVSIWCRS-RVKKMQEKSA-N 2 0 331.460 1.837 20 0 EDADRP CC(C)[NH2+]CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000662379216 453088334 /nfs/dbraw/zinc/08/83/34/453088334.db2.gz BYZKORXLGIAGJR-HZPDHXFCSA-N 2 0 333.476 1.910 20 0 EDADRP Cn1cc([C@H]2[C@H](CNc3[nH+]ccc4[nH]ccc43)OCCN2C)cn1 ZINC000664433279 453091213 /nfs/dbraw/zinc/09/12/13/453091213.db2.gz DAAWAOLIBDLLHQ-HOTGVXAUSA-N 2 0 326.404 1.780 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662393383 453105177 /nfs/dbraw/zinc/10/51/77/453105177.db2.gz FMXPUXOLYHACDL-UHFFFAOYSA-N 2 0 332.448 1.746 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000666759496 453124120 /nfs/dbraw/zinc/12/41/20/453124120.db2.gz GCYBTQFFFNHUAL-MRXNPFEDSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[NH+](C)C ZINC000664472785 453125571 /nfs/dbraw/zinc/12/55/71/453125571.db2.gz GQGGNTHJCVPDLB-KBMXLJTQSA-N 2 0 326.485 1.004 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000655014691 453136004 /nfs/dbraw/zinc/13/60/04/453136004.db2.gz ZPEZTCVJVMOXCH-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000662437505 453144468 /nfs/dbraw/zinc/14/44/68/453144468.db2.gz RQPSMEOGEYQCGS-HOTGVXAUSA-N 2 0 340.512 1.056 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000662462730 453172496 /nfs/dbraw/zinc/17/24/96/453172496.db2.gz PHIMBAZCZCODKY-HNNXBMFYSA-N 2 0 348.516 1.246 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000662475564 453188564 /nfs/dbraw/zinc/18/85/64/453188564.db2.gz FSERQWMSBOKDJZ-YJBOKZPZSA-N 2 0 329.444 1.402 20 0 EDADRP C[C@@H](CCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000664577649 453212469 /nfs/dbraw/zinc/21/24/69/453212469.db2.gz TVTJVAGLGNPCEB-HNNXBMFYSA-N 2 0 333.480 1.937 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCC[NH+]3CCC(O)CC3)cc21 ZINC000662524823 453245543 /nfs/dbraw/zinc/24/55/43/453245543.db2.gz ALCHJXLHDGDSPA-QGZVFWFLSA-N 2 0 345.487 1.642 20 0 EDADRP C[C@H](CCNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[NH+]1CCCCC1 ZINC000666968028 453286044 /nfs/dbraw/zinc/28/60/44/453286044.db2.gz BUWAQQGMMNNSRO-CQSZACIVSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H](N)CC[NH+](C)C)cc2)C1 ZINC000653108950 453294047 /nfs/dbraw/zinc/29/40/47/453294047.db2.gz NHMJZYIPFZHGBS-APWZRJJASA-N 2 0 346.519 1.814 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653112801 453299356 /nfs/dbraw/zinc/29/93/56/453299356.db2.gz KDCZGVPDQJFWHY-HBFSDRIKSA-N 2 0 343.471 1.251 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000653114222 453301420 /nfs/dbraw/zinc/30/14/20/453301420.db2.gz AMVIUWYWPUGIGG-INIZCTEOSA-N 2 0 336.505 1.453 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)[C@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653125269 453319103 /nfs/dbraw/zinc/31/91/03/453319103.db2.gz UYYSRMOPXONGOY-RBUKOAKNSA-N 2 0 344.503 1.481 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](C[C@H](C)O)C[C@@H]1C ZINC000651195233 453346066 /nfs/dbraw/zinc/34/60/66/453346066.db2.gz GBIFLGNJCLTVSA-HOTGVXAUSA-N 2 0 328.501 1.061 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)CCC1 ZINC000664719453 453346365 /nfs/dbraw/zinc/34/63/65/453346365.db2.gz SQEHQSHDONYXMM-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)[C@@H]1C[C@H](CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000655246317 453370640 /nfs/dbraw/zinc/37/06/40/453370640.db2.gz HYGIURIDJQVQGN-IZAXUBKRSA-N 2 0 344.503 1.504 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]C1 ZINC000662660122 453373094 /nfs/dbraw/zinc/37/30/94/453373094.db2.gz BTGDIIQBQZRGHZ-ICSRJNTNSA-N 2 0 345.487 1.388 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)C1 ZINC000653182956 453373843 /nfs/dbraw/zinc/37/38/43/453373843.db2.gz ZOOIEJJBCIGJDN-NBMJBFSESA-N 2 0 343.471 1.618 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662660066 453373970 /nfs/dbraw/zinc/37/39/70/453373970.db2.gz BIPWVVGSVDAXTC-MSOLQXFVSA-N 2 0 332.492 1.041 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc(C(C)(C)[NH3+])no1)Cc1ccccc1 ZINC000662663936 453377909 /nfs/dbraw/zinc/37/79/09/453377909.db2.gz QDQKCFBYXBDOTM-CQSZACIVSA-N 2 0 330.432 1.771 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000658780657 453388398 /nfs/dbraw/zinc/38/83/98/453388398.db2.gz XHNJKZNMTVCATQ-OAHLLOKOSA-N 2 0 341.415 1.411 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000667083244 453395125 /nfs/dbraw/zinc/39/51/25/453395125.db2.gz RHHAWLVFUCUFBM-GASCZTMLSA-N 2 0 332.448 1.700 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662680740 453400069 /nfs/dbraw/zinc/40/00/69/453400069.db2.gz XDQMMQVWYPSAFU-PMPSAXMXSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662680845 453400813 /nfs/dbraw/zinc/40/08/13/453400813.db2.gz MDPVDIMLASDZDS-CABCVRRESA-N 2 0 334.468 1.197 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662684191 453404687 /nfs/dbraw/zinc/40/46/87/453404687.db2.gz BPGIOFMKTGAWPB-XJKSGUPXSA-N 2 0 341.415 1.400 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000662707119 453431066 /nfs/dbraw/zinc/43/10/66/453431066.db2.gz CIYXHPJRIGBOHI-IBGZPJMESA-N 2 0 343.471 1.358 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662716127 453439658 /nfs/dbraw/zinc/43/96/58/453439658.db2.gz ACCAQRJVVQQAFD-UHFFFAOYSA-N 2 0 345.487 1.960 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)cn1 ZINC000667156083 453442907 /nfs/dbraw/zinc/44/29/07/453442907.db2.gz SJARNHDWSXVPRA-MRXNPFEDSA-N 2 0 348.495 1.687 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664888608 453466273 /nfs/dbraw/zinc/46/62/73/453466273.db2.gz HJBZSPMYYWAXDM-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@H](C)C1 ZINC000662743867 453470417 /nfs/dbraw/zinc/47/04/17/453470417.db2.gz ABUNHHNXPFKDDO-CJNGLKHVSA-N 2 0 334.464 1.944 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664916000 453479512 /nfs/dbraw/zinc/47/95/12/453479512.db2.gz GGCSORQFPVMBPR-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000646602717 453504182 /nfs/dbraw/zinc/50/41/82/453504182.db2.gz CENLCXBTXZVXBO-SJLPKXTDSA-N 2 0 349.475 1.604 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000646602714 453504518 /nfs/dbraw/zinc/50/45/18/453504518.db2.gz CENLCXBTXZVXBO-AEFFLSMTSA-N 2 0 349.475 1.604 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662789102 453522313 /nfs/dbraw/zinc/52/23/13/453522313.db2.gz SEISKWZNQABPSV-ZBFHGGJFSA-N 2 0 348.495 1.395 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)on1 ZINC000662805322 453540057 /nfs/dbraw/zinc/54/00/57/453540057.db2.gz KOSPHVWKDZCQSO-OCCSQVGLSA-N 2 0 332.448 1.957 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662858062 453574200 /nfs/dbraw/zinc/57/42/00/453574200.db2.gz DRMABYCWTSDLJT-IRXDYDNUSA-N 2 0 331.460 1.258 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000662859739 453575724 /nfs/dbraw/zinc/57/57/24/453575724.db2.gz NYWVXWWCMSGGST-QZTJIDSGSA-N 2 0 343.471 1.259 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659018829 453582897 /nfs/dbraw/zinc/58/28/97/453582897.db2.gz KUWYXZSVKOQRSP-MRXNPFEDSA-N 2 0 332.448 1.781 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659018207 453583002 /nfs/dbraw/zinc/58/30/02/453583002.db2.gz OAVYATIWIVGFOO-GOSISDBHSA-N 2 0 344.459 1.707 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](OC)[C@@H]3CCOC3)CC2)CC1 ZINC000660834571 453597091 /nfs/dbraw/zinc/59/70/91/453597091.db2.gz ORXDTRSANAVKRF-IEBWSBKVSA-N 2 0 339.524 1.530 20 0 EDADRP N[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000662914756 453600949 /nfs/dbraw/zinc/60/09/49/453600949.db2.gz FDVFGMQMGJMVIZ-BBRMVZONSA-N 2 0 339.386 1.334 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000665232530 453617766 /nfs/dbraw/zinc/61/77/66/453617766.db2.gz OOLKGDXKFAYMIX-FCGDIQPGSA-N 2 0 348.487 1.593 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000662943009 453618257 /nfs/dbraw/zinc/61/82/57/453618257.db2.gz NXGHEOMMUFEIKD-GOSISDBHSA-N 2 0 346.475 1.102 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236164 453618703 /nfs/dbraw/zinc/61/87/03/453618703.db2.gz IRKNOFHSNLBEAD-JQWIXIFHSA-N 2 0 341.253 1.291 20 0 EDADRP CC(=O)NCc1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000665234590 453618995 /nfs/dbraw/zinc/61/89/95/453618995.db2.gz GKXOTQOQJWAPOO-GUDVDZBRSA-N 2 0 331.460 1.569 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000662972707 453630977 /nfs/dbraw/zinc/63/09/77/453630977.db2.gz RFBUIFQNFSJXQQ-MBOZVWFJSA-N 2 0 349.519 1.757 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CCO1 ZINC000662971677 453631023 /nfs/dbraw/zinc/63/10/23/453631023.db2.gz CZQUPOCUKJTVLQ-AEFFLSMTSA-N 2 0 331.460 1.790 20 0 EDADRP COc1ccc([C@@H](C)[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665293126 453639734 /nfs/dbraw/zinc/63/97/34/453639734.db2.gz SCLSTDFEKNNSDG-NWDGAFQWSA-N 2 0 346.431 1.940 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@]3(C)CC[NH2+]C3)CC2)c1 ZINC000663010506 453646169 /nfs/dbraw/zinc/64/61/69/453646169.db2.gz JXSUMVYUEUGKED-IBGZPJMESA-N 2 0 330.476 1.375 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000659283922 453700129 /nfs/dbraw/zinc/70/01/29/453700129.db2.gz AXFFTMMKLJLSHY-AWEZNQCLSA-N 2 0 342.447 1.721 20 0 EDADRP COC[C@@]1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCC[NH2+]1 ZINC000659308985 453709755 /nfs/dbraw/zinc/70/97/55/453709755.db2.gz WBCZSHMXEVCEJJ-APWZRJJASA-N 2 0 331.460 1.564 20 0 EDADRP COC[C@]1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCC[NH2+]1 ZINC000659308990 453709775 /nfs/dbraw/zinc/70/97/75/453709775.db2.gz WBCZSHMXEVCEJJ-VQIMIIECSA-N 2 0 331.460 1.564 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@H]1CC[N@H+](C)C1 ZINC000663479230 453805070 /nfs/dbraw/zinc/80/50/70/453805070.db2.gz DPDQHPPQEDDMJU-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCO1 ZINC000163219532 486666234 /nfs/dbraw/zinc/66/62/34/486666234.db2.gz HOKIZQSHDHSERE-RYQLBKOJSA-N 2 0 331.460 1.616 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000680328833 486751351 /nfs/dbraw/zinc/75/13/51/486751351.db2.gz IAYHSDVVLMWLGB-RBUKOAKNSA-N 2 0 341.459 1.607 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417534958 486799972 /nfs/dbraw/zinc/79/99/72/486799972.db2.gz AYPDANCVLGFSHD-ZIAGYGMSSA-N 2 0 326.485 1.445 20 0 EDADRP COC1CC[NH+](CCNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667752334 486949749 /nfs/dbraw/zinc/94/97/49/486949749.db2.gz RCVKOYKUAMNFTG-UHFFFAOYSA-N 2 0 332.448 1.565 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000677010223 486954354 /nfs/dbraw/zinc/95/43/54/486954354.db2.gz XXGRUDIPCUROPP-SFHVURJKSA-N 2 0 330.476 1.904 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCCC1 ZINC000684163734 486963228 /nfs/dbraw/zinc/96/32/28/486963228.db2.gz NNIXKWSVTKKFQJ-ROUUACIJSA-N 2 0 337.508 1.699 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCOC2 ZINC000667843431 486990511 /nfs/dbraw/zinc/99/05/11/486990511.db2.gz CTKPRXQJQYIQJH-UHFFFAOYSA-N 2 0 334.464 1.716 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000667951426 487029899 /nfs/dbraw/zinc/02/98/99/487029899.db2.gz SRASLNNRDOJSIV-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684430124 487057465 /nfs/dbraw/zinc/05/74/65/487057465.db2.gz UEZWUHILYLUVSG-LJQANCHMSA-N 2 0 331.460 1.859 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCCCC2)C1 ZINC000077701010 487059282 /nfs/dbraw/zinc/05/92/82/487059282.db2.gz OVMJJRKWZWKHNV-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[C@H](C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+](CC)CC ZINC000673650343 487076611 /nfs/dbraw/zinc/07/66/11/487076611.db2.gz NZOYWCMORHPYFC-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000677577808 487122530 /nfs/dbraw/zinc/12/25/30/487122530.db2.gz NKEQFDIGYQCNGR-MRXNPFEDSA-N 2 0 339.528 1.184 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CN[C@H]1C[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000677805541 487172115 /nfs/dbraw/zinc/17/21/15/487172115.db2.gz OGELSJVHRLAFAV-MOPGFXCFSA-N 2 0 330.520 1.875 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000685470747 487280386 /nfs/dbraw/zinc/28/03/86/487280386.db2.gz PFARUJVGDQYSGR-NVXWUHKLSA-N 2 0 337.489 1.974 20 0 EDADRP O=C(CCc1c[nH]cn1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000527013235 487304192 /nfs/dbraw/zinc/30/41/92/487304192.db2.gz GCBDDYMGMRLBOQ-UHFFFAOYSA-N 2 0 328.416 1.938 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nnnn2C)CC1 ZINC000678499590 487319751 /nfs/dbraw/zinc/31/97/51/487319751.db2.gz QLFCHHPRWCSKLW-UHFFFAOYSA-N 2 0 343.479 1.074 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000675193513 487387992 /nfs/dbraw/zinc/38/79/92/487387992.db2.gz DOMBMFSFAHFCOF-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP COCC(C)(C)[NH+]1CCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668249347 485510917 /nfs/dbraw/zinc/51/09/17/485510917.db2.gz NRJCPVDLJMWFFB-UHFFFAOYSA-N 2 0 329.448 1.810 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000669537108 485517513 /nfs/dbraw/zinc/51/75/13/485517513.db2.gz XDGPMYUUGKRKIP-BBWFWOEESA-N 2 0 338.496 1.196 20 0 EDADRP Cc1ccc(CNC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c(N2CCCC2)n1 ZINC000669556005 485558584 /nfs/dbraw/zinc/55/85/84/485558584.db2.gz SXGYAADYHZYZHK-GJZGRUSLSA-N 2 0 331.464 1.882 20 0 EDADRP O=C(N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N1CC[NH2+]CC1 ZINC000669556738 485560006 /nfs/dbraw/zinc/56/00/06/485560006.db2.gz CXWMQSXRMNEZLN-GUDVDZBRSA-N 2 0 342.487 1.902 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)c2cccn2C2CC[NH2+]CC2)CC1 ZINC000324820993 485623125 /nfs/dbraw/zinc/62/31/25/485623125.db2.gz WFNUUZGQNHRBQB-UHFFFAOYSA-N 2 0 334.464 1.207 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000669132509 485720441 /nfs/dbraw/zinc/72/04/41/485720441.db2.gz SICSCBBTRJRXSN-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000668602761 485936829 /nfs/dbraw/zinc/93/68/29/485936829.db2.gz JGFQFTGYAIDYNI-INIZCTEOSA-N 2 0 338.496 1.463 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000669306370 485951225 /nfs/dbraw/zinc/95/12/25/485951225.db2.gz QGNXBUYDARHOQU-ZBFHGGJFSA-N 2 0 326.485 1.399 20 0 EDADRP CN(C(=O)c1c(C2CC2)cnn1C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668619124 485960482 /nfs/dbraw/zinc/96/04/82/485960482.db2.gz ZNSNRYXIFLCFER-INIZCTEOSA-N 2 0 345.491 1.538 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCC[NH2+]C1CC1)[NH+]1CCCC1 ZINC000668644717 485989706 /nfs/dbraw/zinc/98/97/06/485989706.db2.gz MVLHRHZNKKGFPA-KRWDZBQOSA-N 2 0 346.475 1.883 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC[C@H]1[NH3+] ZINC000668727767 486095191 /nfs/dbraw/zinc/09/51/91/486095191.db2.gz UKGVSQAAPNSRDI-BZUAXINKSA-N 2 0 326.485 1.112 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669459256 486213206 /nfs/dbraw/zinc/21/32/06/486213206.db2.gz ZZLWYBPJCJEATM-RBUKOAKNSA-N 2 0 344.503 1.992 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000669484315 486249856 /nfs/dbraw/zinc/24/98/56/486249856.db2.gz QHTGBKNXRLOLKJ-HNNXBMFYSA-N 2 0 337.512 1.116 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000669483798 486250201 /nfs/dbraw/zinc/25/02/01/486250201.db2.gz NBZRYBCTKRBZPA-ROUUACIJSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)Cc2ccccc2C1 ZINC000669496371 486270524 /nfs/dbraw/zinc/27/05/24/486270524.db2.gz GEOVEQPMQBMHOI-KRWDZBQOSA-N 2 0 330.476 1.527 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3C[C@@H]4COC[C@H](C3)O4)c2cc1C ZINC000669943568 486525445 /nfs/dbraw/zinc/52/54/45/486525445.db2.gz IQMKEMXZVZUYGI-HRCADAONSA-N 2 0 331.416 1.114 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN(C)Cc1cccc(Br)c1 ZINC000380665657 486643100 /nfs/dbraw/zinc/64/31/00/486643100.db2.gz UXUIOSBOXNVLRH-OAHLLOKOSA-N 2 0 345.281 1.820 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187357908 533741435 /nfs/dbraw/zinc/74/14/35/533741435.db2.gz KIHFUUWZUKXKFW-KRWDZBQOSA-N 2 0 348.491 1.528 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H]2CC[NH2+]C2)ccc1OC ZINC000166185447 528150411 /nfs/dbraw/zinc/15/04/11/528150411.db2.gz NCFAVJAMDZPWOO-CQSZACIVSA-N 2 0 335.448 1.964 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000163967973 528242535 /nfs/dbraw/zinc/24/25/35/528242535.db2.gz XZHPYVRCIORTOS-IRXDYDNUSA-N 2 0 335.448 1.183 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000183903976 528536513 /nfs/dbraw/zinc/53/65/13/528536513.db2.gz KNBCBMBBCWWRRH-OAHLLOKOSA-N 2 0 338.452 1.030 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC3(C[NH3+])CCCC3)cc2)CC1 ZINC000154345505 529152995 /nfs/dbraw/zinc/15/29/95/529152995.db2.gz AGQDCBHRGMWTMS-UHFFFAOYSA-N 2 0 330.476 1.830 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000339318845 536544946 /nfs/dbraw/zinc/54/49/46/536544946.db2.gz RKVNXZJSKCHQBQ-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCSC[C@H](C)C2)C1 ZINC000249060599 535110486 /nfs/dbraw/zinc/11/04/86/535110486.db2.gz PEPCUPATXCNTOU-CVEARBPZSA-N 2 0 343.537 1.144 20 0 EDADRP CCCN(C(=O)[C@H]([NH3+])COC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262372405 535234496 /nfs/dbraw/zinc/23/44/96/535234496.db2.gz LYEWYXGYMABNFX-ZWKOTPCHSA-N 2 0 333.476 1.863 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N(C)C2CC[NH+](C(C)C)CC2)C1(C)C ZINC000261916726 535438123 /nfs/dbraw/zinc/43/81/23/535438123.db2.gz QXKLXFUZLNZSJR-CRAIPNDOSA-N 2 0 325.497 1.850 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CCCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000336878095 535496342 /nfs/dbraw/zinc/49/63/42/535496342.db2.gz BFMIBYQMGITVMK-UHFFFAOYSA-N 2 0 338.496 1.761 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000236867516 535539468 /nfs/dbraw/zinc/53/94/68/535539468.db2.gz DBKJUDINRQMLRW-KRWDZBQOSA-N 2 0 346.475 1.839 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CC1 ZINC000346191261 535678003 /nfs/dbraw/zinc/67/80/03/535678003.db2.gz MTHHMWWNWPSIEV-OKZBNKHCSA-N 2 0 336.524 1.203 20 0 EDADRP CCOC(=O)COc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262174766 535691560 /nfs/dbraw/zinc/69/15/60/535691560.db2.gz VUXUOAMSWMERLA-KRWDZBQOSA-N 2 0 347.459 1.108 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)C1CCCCC1 ZINC000333823729 535984771 /nfs/dbraw/zinc/98/47/71/535984771.db2.gz IEGJKTTVINJKEP-AEFFLSMTSA-N 2 0 337.508 1.996 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261853422 536433047 /nfs/dbraw/zinc/43/30/47/536433047.db2.gz RSYIPRYTTMXQGV-KSZLIROESA-N 2 0 331.460 1.473 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000107835350 536784129 /nfs/dbraw/zinc/78/41/29/536784129.db2.gz QEHXAZRNPNENQN-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@H](O)c3ccccc3)CC2)C1 ZINC000743768071 579490353 /nfs/dbraw/zinc/49/03/53/579490353.db2.gz SXHLSWULLVFDDA-MOPGFXCFSA-N 2 0 345.487 1.500 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+][C@@H](C)COC)cc2)CC1 ZINC000727105722 578518417 /nfs/dbraw/zinc/51/84/17/578518417.db2.gz YDPAAIHBTAAJDA-HNNXBMFYSA-N 2 0 334.464 1.392 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734275681 578804344 /nfs/dbraw/zinc/80/43/44/578804344.db2.gz AZJCVMGQTTWGEF-WBVHZDCISA-N 2 0 340.512 1.659 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000735870605 578934522 /nfs/dbraw/zinc/93/45/22/578934522.db2.gz MVTHMWSWKYVLIQ-ZWKOTPCHSA-N 2 0 336.476 1.846 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cn2nccc2-c2ccncc2)CC1 ZINC000738210146 579172772 /nfs/dbraw/zinc/17/27/72/579172772.db2.gz OZILSOPFKMRCHR-UHFFFAOYSA-N 2 0 329.448 1.945 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739449861 579207021 /nfs/dbraw/zinc/20/70/21/579207021.db2.gz QOTIVIVDDKAJHH-OAHLLOKOSA-N 2 0 326.554 1.866 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000745824510 579564445 /nfs/dbraw/zinc/56/44/45/579564445.db2.gz JNEOCOFLXZZTGE-OIISXLGYSA-N 2 0 338.496 1.412 20 0 EDADRP CCCCNC(=S)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000748157412 579672463 /nfs/dbraw/zinc/67/24/63/579672463.db2.gz MGWLCAUJKKLDQH-UHFFFAOYSA-N 2 0 335.521 1.858 20 0 EDADRP C(CCCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000748813666 579701129 /nfs/dbraw/zinc/70/11/29/579701129.db2.gz PQOUDWWKUCDPOJ-MUGJNUQGSA-N 4 0 334.552 1.629 20 0 EDADRP CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782105 579934932 /nfs/dbraw/zinc/93/49/32/579934932.db2.gz YBVPKUXELJQXKD-MAUKXSAKSA-N 2 0 336.480 1.574 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCSC1 ZINC000764271102 580116883 /nfs/dbraw/zinc/11/68/83/580116883.db2.gz JAJRNEWPXNQYNN-HOTGVXAUSA-N 2 0 341.521 1.183 20 0 EDADRP C[NH+]1CCC2(CCCN2C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000768938815 580224573 /nfs/dbraw/zinc/22/45/73/580224573.db2.gz UEPCZCHKSZGLAQ-JKSUJKDBSA-N 2 0 336.480 1.119 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000770717746 580269209 /nfs/dbraw/zinc/26/92/09/580269209.db2.gz YJYSFCFVSLQUAC-JKSUJKDBSA-N 2 0 345.491 1.995 20 0 EDADRP C[NH+]1CCC(NC(=S)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000772816437 580321192 /nfs/dbraw/zinc/32/11/92/580321192.db2.gz GOWQIBCEVVPPFI-YOEHRIQHSA-N 2 0 336.549 1.904 20 0 EDADRP CC[NH+]1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000776587622 580422650 /nfs/dbraw/zinc/42/26/50/580422650.db2.gz KXQQOTUUGULWFU-JXMROGBWSA-N 2 0 331.460 1.804 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccccn2)[C@H](C)C1 ZINC000787303933 580692283 /nfs/dbraw/zinc/69/22/83/580692283.db2.gz NFOZDYSFDWNTJW-SJLPKXTDSA-N 2 0 348.491 1.424 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(F)(F)Cc1ccccc1 ZINC000793434678 580844053 /nfs/dbraw/zinc/84/40/53/580844053.db2.gz FDZSQPBHQLBCCA-UHFFFAOYSA-N 2 0 327.419 1.816 20 0 EDADRP CN1CCN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[N@H+](C)CC1 ZINC000893066044 590644494 /nfs/dbraw/zinc/64/44/94/590644494.db2.gz DZYHLTZUEFAPLX-INIZCTEOSA-N 2 0 341.544 1.242 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@@H]1C(F)(F)F ZINC000891857937 590659130 /nfs/dbraw/zinc/65/91/30/590659130.db2.gz HVSPRHMYCAZDIA-XBFCOCLRSA-N 2 0 348.413 1.782 20 0 EDADRP C[C@]1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000891875232 590665219 /nfs/dbraw/zinc/66/52/19/590665219.db2.gz UEGBFFPFQADQJT-ZHALLVOQSA-N 2 0 330.476 1.935 20 0 EDADRP C[C@@]12CN(C(=O)NC[C@@H]3CCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892000134 590736836 /nfs/dbraw/zinc/73/68/36/590736836.db2.gz QKASKKLKJGKLSD-CMKODMSKSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2cnc(CC(F)(F)F)s2)CC1 ZINC000893323321 590779399 /nfs/dbraw/zinc/77/93/99/590779399.db2.gz BITUXMVBIPIRRF-UHFFFAOYSA-N 2 0 336.427 1.975 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000892092934 590792855 /nfs/dbraw/zinc/79/28/55/590792855.db2.gz SRAOUMOOGLWIIR-COXVUDFISA-N 2 0 332.448 1.349 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NC3CC[NH+](Cc4ccncc4)CC3)[C@H]2C1 ZINC000892131433 590814211 /nfs/dbraw/zinc/81/42/11/590814211.db2.gz ZZEPTEBDPAHNGO-AEFFLSMTSA-N 2 0 343.475 1.392 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)C2CC3CC(C2)CC1C3 ZINC000892191782 590857534 /nfs/dbraw/zinc/85/75/34/590857534.db2.gz RRZCNGAPTBJCES-UCIWZYOESA-N 2 0 332.492 1.724 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCCCCCC[NH3+])cc1 ZINC000892210126 590866643 /nfs/dbraw/zinc/86/66/43/590866643.db2.gz FJOQNXYSFDGXNY-KRWDZBQOSA-N 2 0 334.464 1.870 20 0 EDADRP CN(C(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@@H]1CCC[N@H+](C)C1 ZINC000892213012 590867464 /nfs/dbraw/zinc/86/74/64/590867464.db2.gz UDGGXLCFJWLPOK-QZTJIDSGSA-N 2 0 332.492 1.895 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892250214 590887294 /nfs/dbraw/zinc/88/72/94/590887294.db2.gz HJZUIIUPDULSAG-MTNOOBJLSA-N 2 0 328.460 1.716 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892252617 590888166 /nfs/dbraw/zinc/88/81/66/590888166.db2.gz IWALNWMWODQQIV-XMTFNYHQSA-N 2 0 328.460 1.668 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2nccc(N3CCC[C@H]([NH+](C)C)C3)n2)C1 ZINC000892288198 590916539 /nfs/dbraw/zinc/91/65/39/590916539.db2.gz JJNCZBLAFWIJEL-JKSUJKDBSA-N 2 0 332.496 1.537 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892323387 590945308 /nfs/dbraw/zinc/94/53/08/590945308.db2.gz FJPCIBGJDKQGSB-INIZCTEOSA-N 2 0 330.476 1.910 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CC2(CCC2)CO1 ZINC000890476985 590952107 /nfs/dbraw/zinc/95/21/07/590952107.db2.gz ZDYJGXXNGFTUTG-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO)C(C)(C)C[NH+](C)C ZINC000893549693 590953706 /nfs/dbraw/zinc/95/37/06/590953706.db2.gz ZIAISUVKKMUTDC-JYJNAYRXSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CCN1c1cc[nH+]cc1 ZINC000892430078 591024917 /nfs/dbraw/zinc/02/49/17/591024917.db2.gz AGZOTSPUBYHXJN-JYJNAYRXSA-N 2 0 331.464 1.819 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446056 591030709 /nfs/dbraw/zinc/03/07/09/591030709.db2.gz FNUNSJWUCJSXCD-WKILWMFISA-N 2 0 339.528 1.171 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)N3C4CCC3(C[NH3+])CC4)CC2)CC1 ZINC000892468647 591038919 /nfs/dbraw/zinc/03/89/19/591038919.db2.gz PKHYSSJQUWHIIT-UHFFFAOYSA-N 2 0 349.523 1.022 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000892499193 591050345 /nfs/dbraw/zinc/05/03/45/591050345.db2.gz TXWHEGJZDRHVAJ-OAHLLOKOSA-N 2 0 331.464 1.691 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892579157 591080009 /nfs/dbraw/zinc/08/00/09/591080009.db2.gz VABWSTQZRZAEMU-NNUKFRKNSA-N 2 0 340.418 1.775 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)N[C@]3(C)CC[NH2+]C3)C2)c1 ZINC000892608722 591092791 /nfs/dbraw/zinc/09/27/91/591092791.db2.gz HKMPXNKTXBEENM-PKOBYXMFSA-N 2 0 346.475 1.247 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891541707 591114321 /nfs/dbraw/zinc/11/43/21/591114321.db2.gz NDPXHBCDPNATLH-IRXDYDNUSA-N 2 0 344.459 1.417 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)N2C[C@H]3C[N@H+](C)C[C@@]3(C)C2)C1 ZINC000893854501 591117480 /nfs/dbraw/zinc/11/74/80/591117480.db2.gz APJZSBKXSFNLNT-AYBZRNKSSA-N 2 0 328.460 1.766 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)N3CCCCC[C@@H]([NH3+])C3)C2)CC1 ZINC000891561133 591125920 /nfs/dbraw/zinc/12/59/20/591125920.db2.gz URVPGOSCMWQUBG-HZPDHXFCSA-N 3 0 337.512 1.068 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000891578719 591133885 /nfs/dbraw/zinc/13/38/85/591133885.db2.gz ZVGYHPUJAUBJSU-QZTJIDSGSA-N 2 0 328.460 1.484 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000891648762 591167233 /nfs/dbraw/zinc/16/72/33/591167233.db2.gz ZGRSFERPHXARRP-QGZVFWFLSA-N 2 0 346.475 1.276 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892773510 591172456 /nfs/dbraw/zinc/17/24/56/591172456.db2.gz GCDYXESZFBUMMO-OWCLPIDISA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C(C)(C)C[NH+](C)C ZINC000891665400 591174629 /nfs/dbraw/zinc/17/46/29/591174629.db2.gz PIGVLXHHHZNEAC-PBHICJAKSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891681722 591182219 /nfs/dbraw/zinc/18/22/19/591182219.db2.gz NBQNWRZATLDOPB-LAQRGFTBSA-N 2 0 342.487 1.899 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892800952 591185519 /nfs/dbraw/zinc/18/55/19/591185519.db2.gz RGPOYJIMDCZABT-QGZVFWFLSA-N 2 0 330.476 1.827 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000892805619 591187508 /nfs/dbraw/zinc/18/75/08/591187508.db2.gz UVPSRLLQHGZIMN-ZWKOTPCHSA-N 2 0 326.444 1.357 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000894105435 591195573 /nfs/dbraw/zinc/19/55/73/591195573.db2.gz IUEOXQVLMQXTNG-CUSZFKRNSA-N 2 0 334.508 1.985 20 0 EDADRP Nc1cc[nH+]c(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000891747704 591208872 /nfs/dbraw/zinc/20/88/72/591208872.db2.gz ONTMKPVPZYXYIQ-UHFFFAOYSA-N 2 0 340.431 1.775 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891748505 591209657 /nfs/dbraw/zinc/20/96/57/591209657.db2.gz RSAVPYUOQCINFT-MSOLQXFVSA-N 2 0 343.475 1.834 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NCC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC000892924722 591227213 /nfs/dbraw/zinc/22/72/13/591227213.db2.gz IIXNPVADMWDPQC-UHFFFAOYSA-N 2 0 326.485 1.135 20 0 EDADRP CN(C[C@H]1CCC[NH+]1C)c1nccc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000894251095 591247198 /nfs/dbraw/zinc/24/71/98/591247198.db2.gz GSTWHJLOYRIKDU-JKSUJKDBSA-N 2 0 332.496 1.537 20 0 EDADRP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000894264616 591255664 /nfs/dbraw/zinc/25/56/64/591255664.db2.gz XWTCJDGYIGRSIP-WBVHZDCISA-N 2 0 345.553 1.804 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000895818486 591280548 /nfs/dbraw/zinc/28/05/48/591280548.db2.gz QIZIBYYMYLPINO-INIZCTEOSA-N 2 0 333.432 1.286 20 0 EDADRP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)C1(F)F ZINC000894413968 591305460 /nfs/dbraw/zinc/30/54/60/591305460.db2.gz IQVDSQIJIAGXJT-TZMCWYRMSA-N 2 0 343.374 1.166 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000841045230 591331674 /nfs/dbraw/zinc/33/16/74/591331674.db2.gz PQENKSMJSMHFOI-KGLIPLIRSA-N 2 0 333.423 1.238 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)C2)cc1 ZINC000896144812 591357315 /nfs/dbraw/zinc/35/73/15/591357315.db2.gz ZKXGMTJOYJEGSH-GBESFXJTSA-N 2 0 342.487 1.915 20 0 EDADRP O=C(C1C[NH+](C2CCOCC2)C1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000896258728 591400068 /nfs/dbraw/zinc/40/00/68/591400068.db2.gz FILRVRGRKDDONV-SFHVURJKSA-N 2 0 335.492 1.574 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CC[C@@H](C)C3)CC2)c1 ZINC000897433156 591412900 /nfs/dbraw/zinc/41/29/00/591412900.db2.gz QTFFPCXRUBATFI-OAHLLOKOSA-N 2 0 347.463 1.264 20 0 EDADRP CSC1(C[NH2+]Cc2nc(Br)nn2C)CC[NH+](C)CC1 ZINC000894795160 591418887 /nfs/dbraw/zinc/41/88/87/591418887.db2.gz PRPTXNKDMLGPHE-UHFFFAOYSA-N 2 0 348.314 1.495 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000898663958 591460962 /nfs/dbraw/zinc/46/09/62/591460962.db2.gz AIFSLWXPPAQQNO-ROUUACIJSA-N 2 0 345.487 1.742 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO ZINC000894989764 591509019 /nfs/dbraw/zinc/50/90/19/591509019.db2.gz MIENCRGHTHWPAA-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP CC1(C)CCC[N@@H+]1CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000909429137 591560981 /nfs/dbraw/zinc/56/09/81/591560981.db2.gz HKFRFVJVAUCEAA-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000909438784 591571410 /nfs/dbraw/zinc/57/14/10/591571410.db2.gz LOZWLGBYKZWPKQ-UHFFFAOYSA-N 2 0 333.398 1.957 20 0 EDADRP COC(=O)[C@@H]1[C@@H](CN[C@H](CC[NH+](C)C)c2cccnc2)C1(F)F ZINC000896724160 591588018 /nfs/dbraw/zinc/58/80/18/591588018.db2.gz VGJOBTUOXWBVAZ-MCIONIFRSA-N 2 0 327.375 1.718 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H](CO)C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000897725537 591636627 /nfs/dbraw/zinc/63/66/27/591636627.db2.gz VREWWGHJOMKCRC-QYZOEREBSA-N 2 0 345.487 1.642 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000897920039 591721736 /nfs/dbraw/zinc/72/17/36/591721736.db2.gz UGNNBIQRXYMXLI-SFHVURJKSA-N 2 0 349.475 1.307 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000899190029 591726069 /nfs/dbraw/zinc/72/60/69/591726069.db2.gz ZHBFFVPDCYCVEA-KRWDZBQOSA-N 2 0 335.492 1.574 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCC(C)([NH+]3CCC3)CC2)n[nH]1 ZINC000899223315 591740567 /nfs/dbraw/zinc/74/05/67/591740567.db2.gz DWHBLNVRTSONDB-MRXNPFEDSA-N 2 0 331.464 1.877 20 0 EDADRP COC(=O)[C@@H]1[C@H](CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)C1(F)F ZINC000895444819 591757323 /nfs/dbraw/zinc/75/73/23/591757323.db2.gz UQFBCICGIBFFCD-JSGCOSHPSA-N 2 0 340.374 1.300 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895467771 591768283 /nfs/dbraw/zinc/76/82/83/591768283.db2.gz NXEWPYQQFPDNKR-MOPGFXCFSA-N 2 0 343.471 1.660 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1cnc(N2CC[NH2+]CC2)cn1 ZINC000899323975 591775577 /nfs/dbraw/zinc/77/55/77/591775577.db2.gz KXPWNCPQPYISJA-UHFFFAOYSA-N 2 0 327.432 1.494 20 0 EDADRP C[C@@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000898120938 591788484 /nfs/dbraw/zinc/78/84/84/591788484.db2.gz DLKZTRFMBNXKNX-OAGGEKHMSA-N 2 0 337.508 1.601 20 0 EDADRP Cc1cccc2nc(CCNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@@H]43)cn21 ZINC000895533382 591791605 /nfs/dbraw/zinc/79/16/05/591791605.db2.gz HUBCHCDLAUMZOE-HOCLYGCPSA-N 2 0 327.432 1.531 20 0 EDADRP COC(=O)c1ccc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)n1C ZINC000895558279 591801373 /nfs/dbraw/zinc/80/13/73/591801373.db2.gz UYMKISWQKPGKQC-AWEZNQCLSA-N 2 0 328.416 1.917 20 0 EDADRP O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(-n4ccnc4)cc3)C2)nc[nH]1 ZINC000898158816 591807821 /nfs/dbraw/zinc/80/78/21/591807821.db2.gz FXTXOOAQQKRKFT-OAHLLOKOSA-N 2 0 336.399 1.736 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)n[nH]1 ZINC000897288090 591816452 /nfs/dbraw/zinc/81/64/52/591816452.db2.gz RXOJSZCUARQJPQ-INIZCTEOSA-N 2 0 331.464 1.877 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000900179573 591930250 /nfs/dbraw/zinc/93/02/50/591930250.db2.gz MWYKUOSWDUJYGE-AZUAARDMSA-N 2 0 345.487 1.614 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000900197558 591937744 /nfs/dbraw/zinc/93/77/44/591937744.db2.gz JBXRRWKOXQEWEF-KRWDZBQOSA-N 2 0 335.496 1.685 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900209107 591943519 /nfs/dbraw/zinc/94/35/19/591943519.db2.gz PBLLNSKEDMJPIC-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000900240003 591952277 /nfs/dbraw/zinc/95/22/77/591952277.db2.gz IDRWYDJZRWTKST-MSOLQXFVSA-N 2 0 336.524 1.536 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000900262452 591965155 /nfs/dbraw/zinc/96/51/55/591965155.db2.gz BUVZWWBEGOVYLM-LJQANCHMSA-N 2 0 346.475 1.009 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331952 591980191 /nfs/dbraw/zinc/98/01/91/591980191.db2.gz XCWWAWPDLWIHOL-MSOLQXFVSA-N 2 0 345.535 1.960 20 0 EDADRP [NH3+]CCCC[C@@H]([NH2+]CCN1CC[C@@H](O)C1)c1ccc(F)cc1F ZINC000902399583 591990461 /nfs/dbraw/zinc/99/04/61/591990461.db2.gz UTGWIGAIKDHVEY-RHSMWYFYSA-N 2 0 327.419 1.791 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)nc[nH]1 ZINC000902503405 592003806 /nfs/dbraw/zinc/00/38/06/592003806.db2.gz XJGIANFZDNFRTD-YHUYYLMFSA-N 2 0 331.464 1.661 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccco1 ZINC000900406657 592009990 /nfs/dbraw/zinc/00/99/90/592009990.db2.gz TXRHLUXPRNPVGA-QAPCUYQASA-N 2 0 337.464 1.626 20 0 EDADRP Cn1nc(CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C(F)(F)F ZINC000902806416 592063421 /nfs/dbraw/zinc/06/34/21/592063421.db2.gz SWYSPVDKVBJQCP-WDEREUQCSA-N 2 0 347.341 1.301 20 0 EDADRP O=C(CN1CCC[C@H](F)C1)NCc1ccccc1CN1CCOCC1 ZINC000902999995 592098394 /nfs/dbraw/zinc/09/83/94/592098394.db2.gz CAWQATBVIVNZBT-SFHVURJKSA-N 2 0 349.450 1.569 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC([NH+]3CCC3)CC2)cc1 ZINC000903204330 592134979 /nfs/dbraw/zinc/13/49/79/592134979.db2.gz OEORNIBOELMSSK-UHFFFAOYSA-N 2 0 337.489 1.607 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000903189228 592135964 /nfs/dbraw/zinc/13/59/64/592135964.db2.gz SXXDQNJOGYCXKT-ZIAGYGMSSA-N 2 0 331.526 1.699 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)[C@H](C)C1 ZINC000900825007 592138384 /nfs/dbraw/zinc/13/83/84/592138384.db2.gz QSQKMTBSEXJIRW-COXVUDFISA-N 2 0 333.480 1.979 20 0 EDADRP C[C@@H]1[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CCN1Cc1ccccc1 ZINC000903428078 592167708 /nfs/dbraw/zinc/16/77/08/592167708.db2.gz CUEJFJYGRPTRLH-NVXWUHKLSA-N 2 0 342.443 1.592 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000900931252 592177167 /nfs/dbraw/zinc/17/71/67/592177167.db2.gz DXOOTTQIUNBWBS-SZMVWBNQSA-N 2 0 337.508 1.555 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc3ccccc3n1C)C2 ZINC000903493169 592185542 /nfs/dbraw/zinc/18/55/42/592185542.db2.gz NITGZIHNSKXUGG-JCGVRSQUSA-N 2 0 328.416 1.286 20 0 EDADRP COC(=O)[C@@H](c1ccsc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507439 592198703 /nfs/dbraw/zinc/19/87/03/592198703.db2.gz ZQIMIPIDTWRDDN-IXDOHACOSA-N 2 0 349.500 1.863 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998266 592201398 /nfs/dbraw/zinc/20/13/98/592201398.db2.gz YJUMGRKNIHEOMK-DLBZAZTESA-N 2 0 336.524 1.534 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CC(C[NH3+])C3)c2)C1 ZINC000904360255 592238374 /nfs/dbraw/zinc/23/83/74/592238374.db2.gz JYGNTWLCAQONKE-LXPRWKDFSA-N 3 0 330.476 1.211 20 0 EDADRP [NH3+]CCN1CCC([NH2+]Cc2ccc(N3CCCCCC3)nc2)CC1 ZINC000904362216 592238524 /nfs/dbraw/zinc/23/85/24/592238524.db2.gz IUUDOEJMFARYJR-UHFFFAOYSA-N 2 0 331.508 1.975 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCCN(c3ccccc3F)C2=O)CC1 ZINC000904366294 592242240 /nfs/dbraw/zinc/24/22/40/592242240.db2.gz HRRHIOBEQLEUOQ-MRXNPFEDSA-N 2 0 334.439 1.334 20 0 EDADRP CCc1nn(C)c(Cl)c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904391106 592243048 /nfs/dbraw/zinc/24/30/48/592243048.db2.gz DEJHSIKQKLFJGY-LBPRGKRZSA-N 2 0 326.872 1.966 20 0 EDADRP FC(F)Oc1cc2c(cc1CN1CC[NH2+]CC[NH2+]CC1)OCO2 ZINC000904396530 592243769 /nfs/dbraw/zinc/24/37/69/592243769.db2.gz JTZJQXMFSWFYSA-UHFFFAOYSA-N 2 0 329.347 1.012 20 0 EDADRP Cc1csc(C[C@@H]2CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904432624 592254724 /nfs/dbraw/zinc/25/47/24/592254724.db2.gz DFXOXZPDQOTBQH-LSDHHAIUSA-N 2 0 336.505 1.513 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](Cc3nccs3)C2)cnn1C ZINC000904469904 592267532 /nfs/dbraw/zinc/26/75/32/592267532.db2.gz QYPOPDYZPVXWLI-LSDHHAIUSA-N 2 0 333.505 1.867 20 0 EDADRP COc1ccc(C[N@H+](CCCO)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000904470932 592268048 /nfs/dbraw/zinc/26/80/48/592268048.db2.gz DBMLJTOYKLSYRP-KRWDZBQOSA-N 2 0 349.475 1.077 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904530828 592280523 /nfs/dbraw/zinc/28/05/23/592280523.db2.gz PIESUUVIICUCAQ-CXAGYDPISA-N 2 0 332.452 1.495 20 0 EDADRP CC[N@@H+](CC(=O)NCc1ccc(F)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903719227 592281626 /nfs/dbraw/zinc/28/16/26/592281626.db2.gz WWDODFIXEBZXCM-PKOBYXMFSA-N 2 0 349.450 1.532 20 0 EDADRP C(OC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)[C@H]1CCCCO1 ZINC000903731760 592288195 /nfs/dbraw/zinc/28/81/95/592288195.db2.gz CLCROIQIBIDKRB-QRVBRYPASA-N 2 0 338.492 1.805 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH+](CCOC)[C@H](CC)C2)C1 ZINC000906733557 592300244 /nfs/dbraw/zinc/30/02/44/592300244.db2.gz MVLKQFMTXISUGQ-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H](C(=O)Nc1ncccn1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793422 592317462 /nfs/dbraw/zinc/31/74/62/592317462.db2.gz CUCGBJFNDXJGFC-OAHLLOKOSA-N 2 0 339.443 1.796 20 0 EDADRP OC[C@H]1c2ccccc2OCC[N@H+]1C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788315 592323483 /nfs/dbraw/zinc/32/34/83/592323483.db2.gz IIIBLQCVFCKNOA-WBVHZDCISA-N 2 0 332.444 1.573 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000901336110 592333256 /nfs/dbraw/zinc/33/32/56/592333256.db2.gz IBLAAJLEJAMYFC-QFBILLFUSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NCc1ccccc1-n1ccnc1 ZINC000901319114 592339506 /nfs/dbraw/zinc/33/95/06/592339506.db2.gz APIIUJXPNFPNAB-UHFFFAOYSA-N 2 0 338.415 1.560 20 0 EDADRP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888580 592351559 /nfs/dbraw/zinc/35/15/59/592351559.db2.gz GLYRZQOIXRYYLC-SJORKVTESA-N 2 0 349.523 1.474 20 0 EDADRP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](CC[C@H]3CC[NH2+]C3)C[C@H]21 ZINC000903870791 592353298 /nfs/dbraw/zinc/35/32/98/592353298.db2.gz JOSWDSWADKSCJF-JHJVBQTASA-N 2 0 340.411 1.428 20 0 EDADRP O=C(CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)Nc1ccccc1 ZINC000903878325 592359308 /nfs/dbraw/zinc/35/93/08/592359308.db2.gz GMGKESCPYJUDFY-JLYLLQBASA-N 2 0 342.487 1.773 20 0 EDADRP COc1cc(C[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc(OC)c1 ZINC000903884269 592362271 /nfs/dbraw/zinc/36/22/71/592362271.db2.gz VYZUUXBHKIFSFY-MRXNPFEDSA-N 2 0 346.475 1.995 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCc3ccccc3[C@@H]2CO)cnn1C ZINC000903895596 592367537 /nfs/dbraw/zinc/36/75/37/592367537.db2.gz OQJRKCQKFNEEJV-KXBFYZLASA-N 2 0 328.460 1.438 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)[C@@H](CCO)c2ccccc2)cnn1C ZINC000903895648 592368099 /nfs/dbraw/zinc/36/80/99/592368099.db2.gz PNNKWNHVOAGCPU-APWZRJJASA-N 2 0 330.476 1.901 20 0 EDADRP Cc1nnc([C@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898368 592369225 /nfs/dbraw/zinc/36/92/25/592369225.db2.gz KHXPWSCGXDFICI-GJZGRUSLSA-N 2 0 331.468 1.152 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C[NH+]3CCCCC3)C2)cnn1C ZINC000903898837 592369595 /nfs/dbraw/zinc/36/95/95/592369595.db2.gz QJWFLTRMXGVVIW-QZTJIDSGSA-N 2 0 333.524 1.654 20 0 EDADRP O=S1(=O)CCCN1[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903915494 592370489 /nfs/dbraw/zinc/37/04/89/592370489.db2.gz ZTDMYTIEVNRGOO-WTXIUTQJSA-N 2 0 327.494 1.017 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CC[N@H+](C)CC23CCCCC3)cnn1C ZINC000903899838 592370943 /nfs/dbraw/zinc/37/09/43/592370943.db2.gz WKVKIUCZQLLBQB-KRWDZBQOSA-N 2 0 333.524 1.796 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CNC[C@@H]1[NH2+]CCc2ccccc21 ZINC000903918605 592376221 /nfs/dbraw/zinc/37/62/21/592376221.db2.gz COMYHSYKQSMECF-QAPCUYQASA-N 2 0 326.448 1.179 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+]C[C@H]([NH3+])CC(F)F)C2)cc(OC)c1 ZINC000903922720 592378773 /nfs/dbraw/zinc/37/87/73/592378773.db2.gz COQSOOPHOKYNTF-KGLIPLIRSA-N 2 0 343.418 1.850 20 0 EDADRP O=C1[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCCN1CC(F)(F)F ZINC000903926424 592380191 /nfs/dbraw/zinc/38/01/91/592380191.db2.gz RZBVCPYPUSGNDN-HNNXBMFYSA-N 2 0 341.377 1.975 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN(CC[NH3+])Cc2cccc(Cl)c2)cnn1C ZINC000903954424 592395943 /nfs/dbraw/zinc/39/59/43/592395943.db2.gz SKYUPKWFEMOAHK-MRXNPFEDSA-N 2 0 349.910 1.960 20 0 EDADRP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956103 592396068 /nfs/dbraw/zinc/39/60/68/592396068.db2.gz GXUYTUWKCHTAHR-GOEBONIOSA-N 2 0 339.430 1.958 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903968349 592403044 /nfs/dbraw/zinc/40/30/44/592403044.db2.gz UDZPPTPAQVJTSL-IPYPFGDCSA-N 2 0 333.432 1.635 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CC[C@@H](O)c1ccccc1)CN1CC[NH+](C)CC1 ZINC000905109054 592410000 /nfs/dbraw/zinc/41/00/00/592410000.db2.gz BDSXSYWDXUEGLB-YZGWKJHDSA-N 2 0 349.519 1.334 20 0 EDADRP COc1cc(-c2noc([C@@H]3C[C@@H]3C[NH3+])n2)ccc1OCC[NH+](C)C ZINC000904102949 592426108 /nfs/dbraw/zinc/42/61/08/592426108.db2.gz ISVUBTLHKVHKDG-CHWSQXEVSA-N 2 0 332.404 1.748 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000908319969 592432146 /nfs/dbraw/zinc/43/21/46/592432146.db2.gz ZIRQYBTXCGUGQT-MJGOQNOKSA-N 2 0 347.459 1.039 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229303 592458326 /nfs/dbraw/zinc/45/83/26/592458326.db2.gz AMFGSLYVRYADGC-DLBZAZTESA-N 2 0 328.497 1.523 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@H]3CC[C@]32C[NH3+])c1 ZINC000904295422 592470675 /nfs/dbraw/zinc/47/06/75/592470675.db2.gz POIYSFLXJJTION-KDOFPFPSSA-N 2 0 332.448 1.972 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333935 592508936 /nfs/dbraw/zinc/50/89/36/592508936.db2.gz MPJQBAGVWZSPLT-INMHGKMJSA-N 2 0 343.537 1.653 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCN(CC[NH+]3CCCC3)CC2)C1 ZINC000905435360 592533816 /nfs/dbraw/zinc/53/38/16/592533816.db2.gz BLUUCTVPKRPHQO-SFHVURJKSA-N 2 0 336.524 1.348 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)C3(O)CCCC3)C2)[C@H]1C(C)C ZINC000905502557 592546353 /nfs/dbraw/zinc/54/63/53/592546353.db2.gz KQMJBDIDJZEYMI-ZKXLYKBJSA-N 2 0 340.508 1.112 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000908592042 592556684 /nfs/dbraw/zinc/55/66/84/592556684.db2.gz FURQMMXHZGEKLX-OAGGEKHMSA-N 2 0 325.497 1.599 20 0 EDADRP CCO[C@@H](CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000905580285 592579543 /nfs/dbraw/zinc/57/95/43/592579543.db2.gz NDWDLSCWKWHAJA-OALUTQOASA-N 2 0 335.492 1.180 20 0 EDADRP CC(C)Oc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ncn1 ZINC000905701320 592614704 /nfs/dbraw/zinc/61/47/04/592614704.db2.gz MHMYJAQBUPAWON-IYBDPMFKSA-N 2 0 331.464 1.669 20 0 EDADRP COc1cc(F)cc(-c2noc(NCCN3CCC([NH3+])CC3)n2)c1 ZINC000905704701 592616773 /nfs/dbraw/zinc/61/67/73/592616773.db2.gz DZVUFMFWDCCZCU-UHFFFAOYSA-N 2 0 335.383 1.719 20 0 EDADRP C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000907446828 592659601 /nfs/dbraw/zinc/65/96/01/592659601.db2.gz KWTWREMOTZKKBN-MAUKXSAKSA-N 2 0 343.475 1.866 20 0 EDADRP C[N@@H+]1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)C2(CCCCC2)C1 ZINC000906221973 592761123 /nfs/dbraw/zinc/76/11/23/592761123.db2.gz LIIZSGARKQAGEM-UHFFFAOYSA-N 2 0 345.491 1.439 20 0 EDADRP C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221869 592761225 /nfs/dbraw/zinc/76/12/25/592761225.db2.gz JDUWHUAWLSCTBG-JKSUJKDBSA-N 2 0 331.464 1.047 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)CCCO1 ZINC000907757576 592780071 /nfs/dbraw/zinc/78/00/71/592780071.db2.gz WUBOLFVKDPNMFE-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000907762212 592781533 /nfs/dbraw/zinc/78/15/33/592781533.db2.gz INHBBUHPDPJLRO-GOSISDBHSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000907908026 592840798 /nfs/dbraw/zinc/84/07/98/592840798.db2.gz XSZYSPQHHDAIAJ-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CN([C@@H]3C[C@H]3c3cccc(F)c3)CCO2)CC1 ZINC000906589511 592853042 /nfs/dbraw/zinc/85/30/42/592853042.db2.gz CXKMFNBDUVBGLE-CEXWTWQISA-N 2 0 333.451 1.630 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H]2CCC[NH+]2C2CCCCC2)C1 ZINC000907952980 592855063 /nfs/dbraw/zinc/85/50/63/592855063.db2.gz IAHMJIVYZFTZBB-GOSISDBHSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C(C)C ZINC000910993914 592908261 /nfs/dbraw/zinc/90/82/61/592908261.db2.gz SQQVOBSDFBWBKB-SJORKVTESA-N 2 0 346.475 1.004 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC(C(C)(C)C[NH3+])CC1 ZINC000911139119 592934820 /nfs/dbraw/zinc/93/48/20/592934820.db2.gz WYTLPJCIKOABLN-UHFFFAOYSA-N 2 0 340.512 1.058 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000734386753 592961450 /nfs/dbraw/zinc/96/14/50/592961450.db2.gz UXCTXGLXJNEJFT-JKSUJKDBSA-N 2 0 344.569 1.539 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2OCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000911633406 592970985 /nfs/dbraw/zinc/97/09/85/592970985.db2.gz SKUOHWKKXZOEGM-WNRNVDISSA-N 2 0 331.460 1.705 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000911720769 592988215 /nfs/dbraw/zinc/98/82/15/592988215.db2.gz HXIKMCPFXKBLES-KRWDZBQOSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCN1CC[NH2+]CC1 ZINC000911774427 593002594 /nfs/dbraw/zinc/00/25/94/593002594.db2.gz HWQYFDALIVQSIQ-PKOBYXMFSA-N 2 0 344.503 1.118 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)C1 ZINC000911825224 593017575 /nfs/dbraw/zinc/01/75/75/593017575.db2.gz OFHYMQZCYUQOPC-OCCSQVGLSA-N 2 0 336.505 1.885 20 0 EDADRP Cn1ccnc1[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)C(F)(F)F ZINC000911857011 593027794 /nfs/dbraw/zinc/02/77/94/593027794.db2.gz SCOFZFYENUSKHL-GRYCIOLGSA-N 2 0 330.354 1.809 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000911881405 593030141 /nfs/dbraw/zinc/03/01/41/593030141.db2.gz RAXKMNJYYNFWBC-FZCLSBEQSA-N 2 0 331.460 1.329 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCCCC1)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1 ZINC000912014335 593051872 /nfs/dbraw/zinc/05/18/72/593051872.db2.gz HYVUZAJUYJMIDT-IKGGRYGDSA-N 2 0 335.492 1.811 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000912065088 593055094 /nfs/dbraw/zinc/05/50/94/593055094.db2.gz IGQYCPGFQLOGCQ-MSOLQXFVSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@]1(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380471 593089306 /nfs/dbraw/zinc/08/93/06/593089306.db2.gz UAGRKYCXZHKTPS-PXNSSMCTSA-N 2 0 342.487 1.894 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000912585145 593106274 /nfs/dbraw/zinc/10/62/74/593106274.db2.gz XZWYMPXIBQZNFB-UHFFFAOYSA-N 2 0 337.508 1.462 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838792198 593218067 /nfs/dbraw/zinc/21/80/67/593218067.db2.gz DYQPZXXELQHGSQ-QGZVFWFLSA-N 2 0 325.497 1.317 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cnc([C@@H](C)O)s2)CC1 ZINC000809615303 593349839 /nfs/dbraw/zinc/34/98/39/593349839.db2.gz ADXJCYLGVBSAFT-ZIAGYGMSSA-N 2 0 326.510 1.560 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)C[C@@H]2C1 ZINC000812321209 593496307 /nfs/dbraw/zinc/49/63/07/593496307.db2.gz BWMXURZGTOPZOW-QRVBRYPASA-N 2 0 342.487 1.704 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NOC/C=C/Cl ZINC000812705832 593507617 /nfs/dbraw/zinc/50/76/17/593507617.db2.gz GLAFNXJQHKKPMV-OWNNVSBGSA-N 2 0 332.876 1.728 20 0 EDADRP C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000813330450 593527409 /nfs/dbraw/zinc/52/74/09/593527409.db2.gz XZXANUYVIVYWSZ-QAPCUYQASA-N 2 0 345.487 1.790 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)CC[NH2+]CC1 ZINC000817917264 593648455 /nfs/dbraw/zinc/64/84/55/593648455.db2.gz NXYRUHIBHKJWAY-QRWLVFNGSA-N 2 0 346.471 1.731 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817945003 593651101 /nfs/dbraw/zinc/65/11/01/593651101.db2.gz RBRAJXFVWJGVJZ-HNNXBMFYSA-N 2 0 332.448 1.589 20 0 EDADRP COC(=O)N1CCC[C@@H]([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000819004372 593733599 /nfs/dbraw/zinc/73/35/99/593733599.db2.gz YVUKTOGNOBAOFT-IAGOWNOFSA-N 2 0 335.448 1.300 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2ccc(F)cn2)cc1 ZINC000819011311 593733831 /nfs/dbraw/zinc/73/38/31/593733831.db2.gz OQWKKMWIOBOCRH-SFHVURJKSA-N 2 0 333.407 1.984 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000820100563 593791311 /nfs/dbraw/zinc/79/13/11/593791311.db2.gz NWDTYZBYUYDJBI-FQBWVUSXSA-N 2 0 341.455 1.096 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2CCCO)C1 ZINC000820809700 593895063 /nfs/dbraw/zinc/89/50/63/593895063.db2.gz GUOBZNTUYKJEJA-BRWVUGGUSA-N 2 0 325.497 1.495 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(C[NH+]2CCCCC2)o1 ZINC000820990257 593937601 /nfs/dbraw/zinc/93/76/01/593937601.db2.gz MBSKSVHGGJBRRV-MRXNPFEDSA-N 2 0 349.475 1.842 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821266291 594002393 /nfs/dbraw/zinc/00/23/93/594002393.db2.gz AKCVTHWUORVSDL-ZDUSSCGKSA-N 2 0 349.508 1.291 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824412860 594005868 /nfs/dbraw/zinc/00/58/68/594005868.db2.gz GXUOIBWBDILZIS-CHWSQXEVSA-N 2 0 347.442 1.292 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824579424 594041750 /nfs/dbraw/zinc/04/17/50/594041750.db2.gz ZFBGXXNFKLEPOV-LLVKDONJSA-N 2 0 334.399 1.113 20 0 EDADRP CCCCC[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000822900842 594119391 /nfs/dbraw/zinc/11/93/91/594119391.db2.gz SCKLBDVPUWNBIY-SFHVURJKSA-N 2 0 348.491 1.651 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000822951264 594127419 /nfs/dbraw/zinc/12/74/19/594127419.db2.gz ONRMJOKYTLMUOM-UKRRQHHQSA-N 2 0 342.447 1.739 20 0 EDADRP CCOC(=O)[C@@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC12COC2 ZINC000826030229 594310541 /nfs/dbraw/zinc/31/05/41/594310541.db2.gz SWJOJYUBVRGHKF-INIZCTEOSA-N 2 0 342.399 1.279 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1)C(C)C ZINC000830357480 594381929 /nfs/dbraw/zinc/38/19/29/594381929.db2.gz AXXXWWKVVDHNOV-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1CN(C(=O)NCCCCCC[NH3+])CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000831267934 594595738 /nfs/dbraw/zinc/59/57/38/594595738.db2.gz SANYYYZRAGNHAQ-SJORKVTESA-N 2 0 339.528 1.173 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000841050315 594844636 /nfs/dbraw/zinc/84/46/36/594844636.db2.gz FEHQGVOOWFERRW-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000841096535 594850328 /nfs/dbraw/zinc/85/03/28/594850328.db2.gz ZSJATGCKQVXSTA-BEFAXECRSA-N 2 0 341.455 1.660 20 0 EDADRP CS[C@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)C[C@@H]1[NH+](C)C ZINC000841281432 594880913 /nfs/dbraw/zinc/88/09/13/594880913.db2.gz GCBXTKHCAITXQU-GJZGRUSLSA-N 2 0 338.477 1.533 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CC[NH2+]1 ZINC000841847945 594964731 /nfs/dbraw/zinc/96/47/31/594964731.db2.gz ZRTUMJYMQFHQJR-ZFWWWQNUSA-N 2 0 345.443 1.922 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000843332015 595077039 /nfs/dbraw/zinc/07/70/39/595077039.db2.gz GHFJWNISDNXSQN-LBPRGKRZSA-N 2 0 341.358 1.516 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000843388838 595096931 /nfs/dbraw/zinc/09/69/31/595096931.db2.gz YSPHLLATGGKHHF-OLZOCXBDSA-N 2 0 343.431 1.529 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000837766380 595190652 /nfs/dbraw/zinc/19/06/52/595190652.db2.gz DLRZTKBBWQPNJS-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843050876 595275300 /nfs/dbraw/zinc/27/53/00/595275300.db2.gz TUVAYQCAXFSGMR-UHFFFAOYSA-N 2 0 334.464 1.630 20 0 EDADRP CN(C(=O)C[C@@H]([NH3+])C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000844177895 595293426 /nfs/dbraw/zinc/29/34/26/595293426.db2.gz RMPFHYBIDRIVPV-GOSISDBHSA-N 2 0 330.476 1.674 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844184166 595295366 /nfs/dbraw/zinc/29/53/66/595295366.db2.gz BCOPEKSDDVIFCO-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1F ZINC000844189327 595297500 /nfs/dbraw/zinc/29/75/00/595297500.db2.gz JXDYWLBOGLCAKA-OAHLLOKOSA-N 2 0 336.411 1.084 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844191984 595298308 /nfs/dbraw/zinc/29/83/08/595298308.db2.gz XIJVLRSVJBPKLW-SFHVURJKSA-N 2 0 346.475 1.536 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844191983 595298692 /nfs/dbraw/zinc/29/86/92/595298692.db2.gz XIJVLRSVJBPKLW-GOSISDBHSA-N 2 0 346.475 1.536 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccc(-n4ccnc4)nc3)CC2)C1 ZINC000844226884 595309843 /nfs/dbraw/zinc/30/98/43/595309843.db2.gz RYEKSPHFDLDNRU-ZWKOTPCHSA-N 2 0 341.459 1.986 20 0 EDADRP CO[C@@H]1CCN(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695257 595375617 /nfs/dbraw/zinc/37/56/17/595375617.db2.gz UYWBXECHMHWAJU-OTWHNJEPSA-N 2 0 343.471 1.645 20 0 EDADRP O=C1O[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000848721170 595435891 /nfs/dbraw/zinc/43/58/91/595435891.db2.gz IMYSUHWWFNCOGA-IDHHARJASA-N 2 0 343.427 1.815 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)o1 ZINC000848896104 595464194 /nfs/dbraw/zinc/46/41/94/595464194.db2.gz RXBGZFJNVUUEQT-LFAOLKIESA-N 2 0 335.448 1.439 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(C[S@@](C)=O)cc1 ZINC000849051104 595475747 /nfs/dbraw/zinc/47/57/47/595475747.db2.gz WRVWYTZBEAGIJP-WAIKUNEKSA-N 2 0 336.505 1.663 20 0 EDADRP CC[C@@H](C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849053298 595475793 /nfs/dbraw/zinc/47/57/93/595475793.db2.gz VUPBGBVBXVFQBE-OAHLLOKOSA-N 2 0 333.484 1.291 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000845444767 595498558 /nfs/dbraw/zinc/49/85/58/595498558.db2.gz FOTCNKXXDKGTTO-ZIAGYGMSSA-N 2 0 342.484 1.042 20 0 EDADRP C[NH+](C)CCC[C@H]1C[N@H+](CC2CN(C(=O)OC(C)(C)C)C2)CCO1 ZINC000852761360 595531407 /nfs/dbraw/zinc/53/14/07/595531407.db2.gz UWMIFASOPOSWNS-INIZCTEOSA-N 2 0 341.496 1.896 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499479 595552040 /nfs/dbraw/zinc/55/20/40/595552040.db2.gz MQFRESJMNFZFFO-KBAYOESNSA-N 2 0 347.507 1.304 20 0 EDADRP C[NH2+]CCN(C)C(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000852826249 595561981 /nfs/dbraw/zinc/56/19/81/595561981.db2.gz FQNQLYFTOFCADB-IBGZPJMESA-N 2 0 341.455 1.813 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)Nc2ccccc2C[NH+]2CCSCC2)=NO1 ZINC000852863617 595584236 /nfs/dbraw/zinc/58/42/36/595584236.db2.gz QBEIDJMKIBRCQJ-CYBMUJFWSA-N 2 0 334.445 1.278 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597098 595586364 /nfs/dbraw/zinc/58/63/64/595586364.db2.gz RAGDADVKLSHTQP-DJIMGWMZSA-N 2 0 335.496 1.300 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[N@H+]1C ZINC000849598444 595587739 /nfs/dbraw/zinc/58/77/39/595587739.db2.gz ZMRGEFJKOSJEGC-WTTBNOFXSA-N 2 0 333.480 1.006 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@H](C)[N@H+]1C ZINC000849598443 595587862 /nfs/dbraw/zinc/58/78/62/595587862.db2.gz ZMRGEFJKOSJEGC-HDEZJCGLSA-N 2 0 333.480 1.006 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC2([NH+](C)C)CC2)[C@@H](c2cnn(C)c2)C1 ZINC000849599663 595588882 /nfs/dbraw/zinc/58/88/82/595588882.db2.gz BCGOVSDDTGQWRA-IAGOWNOFSA-N 2 0 347.507 1.444 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849602696 595590989 /nfs/dbraw/zinc/59/09/89/595590989.db2.gz PYYHIGHMVRRVSB-OKZBNKHCSA-N 2 0 347.507 1.397 20 0 EDADRP NC(=O)COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853093814 595663427 /nfs/dbraw/zinc/66/34/27/595663427.db2.gz RVMCSNWYQWFXOP-KRWDZBQOSA-N 2 0 331.460 1.762 20 0 EDADRP C[C@H](CNC(=O)NCCN1C[C@@H](C)OC[C@H]1C)[NH+]1CCCCC1 ZINC000853465159 595758458 /nfs/dbraw/zinc/75/84/58/595758458.db2.gz CMVDIEBBJFTHFU-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000850353384 595815835 /nfs/dbraw/zinc/81/58/35/595815835.db2.gz BHOXHTDSWRPHCX-BFHYXJOUSA-N 2 0 325.419 1.958 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000850353387 595815955 /nfs/dbraw/zinc/81/59/55/595815955.db2.gz BHOXHTDSWRPHCX-MJBXVCDLSA-N 2 0 325.419 1.958 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000851665654 595875394 /nfs/dbraw/zinc/87/53/94/595875394.db2.gz BYXIVOWRRUIHLO-RBSFLKMASA-N 2 0 338.402 1.429 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CCC2(C1)CC[NH2+]CC2 ZINC000851671929 595879341 /nfs/dbraw/zinc/87/93/41/595879341.db2.gz SHDJWEQYJMHVLN-QZTJIDSGSA-N 2 0 342.487 1.917 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851677027 595880918 /nfs/dbraw/zinc/88/09/18/595880918.db2.gz RZFRGOGQCVGOPS-SJLPKXTDSA-N 2 0 336.480 1.025 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC(=O)NC)C2)ccn1 ZINC000856584265 596021106 /nfs/dbraw/zinc/02/11/06/596021106.db2.gz GIDIJRYQFWOMNG-QGZVFWFLSA-N 2 0 334.464 1.513 20 0 EDADRP CCOC(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856589815 596024515 /nfs/dbraw/zinc/02/45/15/596024515.db2.gz OCXQVJAGCMPYFA-QGZVFWFLSA-N 2 0 335.448 1.940 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)C2)ccn1 ZINC000856635371 596041231 /nfs/dbraw/zinc/04/12/31/596041231.db2.gz QYTUBSSJZYRSRF-MSOLQXFVSA-N 2 0 346.475 1.607 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000862215268 596277474 /nfs/dbraw/zinc/27/74/74/596277474.db2.gz KCMGLRMSFUJCDX-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP CNC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000866685397 596294094 /nfs/dbraw/zinc/29/40/94/596294094.db2.gz KWBLRSOBSLVILD-CVEARBPZSA-N 2 0 334.464 1.521 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)CC1 ZINC000866703156 596300313 /nfs/dbraw/zinc/30/03/13/596300313.db2.gz KKYSVDQYZBQTPL-UHFFFAOYSA-N 3 0 328.504 1.544 20 0 EDADRP CCc1cccc(OCC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866706324 596302177 /nfs/dbraw/zinc/30/21/77/596302177.db2.gz BBMPZPRWSHWHGE-JQHSSLGASA-N 2 0 345.443 1.495 20 0 EDADRP CC(C)Oc1ccc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866709885 596304398 /nfs/dbraw/zinc/30/43/98/596304398.db2.gz MOVULMPIOMUKOM-JQHSSLGASA-N 2 0 345.443 1.841 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870881511 596388210 /nfs/dbraw/zinc/38/82/10/596388210.db2.gz XQQREHLQPXJBSO-GJYPPUQNSA-N 2 0 331.460 1.761 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000870907496 596398830 /nfs/dbraw/zinc/39/88/30/596398830.db2.gz WSNAKSDRRNSTNM-FZMZJTMJSA-N 2 0 334.489 1.823 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919803 596404946 /nfs/dbraw/zinc/40/49/46/596404946.db2.gz HZNWMFHDVVHIJE-RISCZKNCSA-N 2 0 340.265 1.907 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@@H]21 ZINC000870939558 596412766 /nfs/dbraw/zinc/41/27/66/596412766.db2.gz XTNHZTPEEWOFPH-MELADBBJSA-N 2 0 334.489 1.810 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)C[C@H](C)[NH2+]1 ZINC000869310834 596483280 /nfs/dbraw/zinc/48/32/80/596483280.db2.gz MLVZFTBKSGZPNF-MJBXVCDLSA-N 2 0 342.484 1.040 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[NH+](C)C(C)(C)CC2)cn1 ZINC000871158602 596483359 /nfs/dbraw/zinc/48/33/59/596483359.db2.gz GIYOTMJQIWVAQU-IAGOWNOFSA-N 2 0 347.507 1.398 20 0 EDADRP O=C([C@@H]1CCCN(CC(F)F)C1)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000867857939 596588291 /nfs/dbraw/zinc/58/82/91/596588291.db2.gz PPUGBQGSPJFNSR-RDBSUJKOSA-N 2 0 333.398 1.608 20 0 EDADRP CO[C@@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C1CCCC1 ZINC000863546779 596613951 /nfs/dbraw/zinc/61/39/51/596613951.db2.gz GNGOXEXBZBIFFD-IKGGRYGDSA-N 2 0 337.464 1.449 20 0 EDADRP C[C@@]1(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CCC[NH2+]C1 ZINC000867967839 596637597 /nfs/dbraw/zinc/63/75/97/596637597.db2.gz PLGFSNWFXBWNDN-DZGCQCFKSA-N 2 0 340.265 1.955 20 0 EDADRP C[C@]1(CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)CCC[NH2+]C1 ZINC000867967840 596637863 /nfs/dbraw/zinc/63/78/63/596637863.db2.gz PLGFSNWFXBWNDN-HIFRSBDPSA-N 2 0 340.265 1.955 20 0 EDADRP CCOc1ccccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863642084 596640762 /nfs/dbraw/zinc/64/07/62/596640762.db2.gz JUWUEFMMDHGYSN-AEFFLSMTSA-N 2 0 345.443 1.842 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)OCC[NH+]1CCCCC1 ZINC000869833386 596655846 /nfs/dbraw/zinc/65/58/46/596655846.db2.gz ZYHHUWCUGVZFJH-AWEZNQCLSA-N 2 0 343.468 1.470 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)CC1 ZINC000868156133 596704927 /nfs/dbraw/zinc/70/49/27/596704927.db2.gz WDUYMRRXOBBLGY-QDMKHBRRSA-N 2 0 346.479 1.802 20 0 EDADRP Cc1ccc(N)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000868167710 596708182 /nfs/dbraw/zinc/70/81/82/596708182.db2.gz QKOOSJKWEYPJJU-HUUCEWRRSA-N 2 0 333.480 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3C2)C[C@H]1C[NH+](C)C ZINC000870017346 596709676 /nfs/dbraw/zinc/70/96/76/596709676.db2.gz LBZMMINDBZFRPC-XUVXKRRUSA-N 2 0 343.515 1.989 20 0 EDADRP CCC[C@@H]1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870021535 596711868 /nfs/dbraw/zinc/71/18/68/596711868.db2.gz HEWOKUNPRVDUJH-BSDSXHPESA-N 2 0 339.524 1.780 20 0 EDADRP CC(C)c1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n(C)n1 ZINC000870021669 596711902 /nfs/dbraw/zinc/71/19/02/596711902.db2.gz TVTXNZLIXUBBHB-HUUCEWRRSA-N 2 0 335.496 1.355 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CSCC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870022585 596712490 /nfs/dbraw/zinc/71/24/90/596712490.db2.gz UTAWFBZUABTMOF-VXGBXAGGSA-N 2 0 341.443 1.480 20 0 EDADRP C[C@@H]1CCC[C@@H](OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870021702 596712529 /nfs/dbraw/zinc/71/25/29/596712529.db2.gz IYAGZGFZWJORJS-BRSBDYLESA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCOCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870022990 596713112 /nfs/dbraw/zinc/71/31/12/596713112.db2.gz HLYQNPAEIPGZIF-RTBURBONSA-N 2 0 347.503 1.791 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3[nH]ccc32)C[C@H]1C[NH+](C)C ZINC000870023974 596713959 /nfs/dbraw/zinc/71/39/59/596713959.db2.gz RBHLTYUWZAYPAW-HUUCEWRRSA-N 2 0 328.460 1.979 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccccc2O)C[C@H]1C[NH+](C)C ZINC000870024095 596714079 /nfs/dbraw/zinc/71/40/79/596714079.db2.gz SDCCUIQJGRJGEX-IAGOWNOFSA-N 2 0 333.476 1.523 20 0 EDADRP Cc1cccc(O[C@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024806 596714583 /nfs/dbraw/zinc/71/45/83/596714583.db2.gz UNIYNZXUTZEMSH-KZNAEPCWSA-N 2 0 347.503 1.960 20 0 EDADRP C[C@@H](Oc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870025019 596714648 /nfs/dbraw/zinc/71/46/48/596714648.db2.gz LLIUTZWHGHRYHR-BRWVUGGUSA-N 2 0 333.476 1.652 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868236658 596740556 /nfs/dbraw/zinc/74/05/56/596740556.db2.gz MQSVGWUTYPLMCW-SJWGOKEGSA-N 2 0 344.459 1.238 20 0 EDADRP CCCc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n2ncnc2n1 ZINC000866012665 596758084 /nfs/dbraw/zinc/75/80/84/596758084.db2.gz MYHCFFVVNVGTEZ-HUUCEWRRSA-N 2 0 345.495 1.252 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868381874 596813718 /nfs/dbraw/zinc/81/37/18/596813718.db2.gz XIHDPIXYPBWVFN-GOSISDBHSA-N 2 0 340.512 1.009 20 0 EDADRP [NH3+][C@H](C[C@H]1CCC[N@H+](CCC(=O)N2CCOCC2)C1)C1CCCC1 ZINC000872155908 596815749 /nfs/dbraw/zinc/81/57/49/596815749.db2.gz ALDYLNSLRFCFCN-SJLPKXTDSA-N 2 0 337.508 1.855 20 0 EDADRP CCOC(=O)N1CCN(C(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])CC1 ZINC000872158595 596816648 /nfs/dbraw/zinc/81/66/48/596816648.db2.gz VZIXTBOLGHRGTM-OAHLLOKOSA-N 2 0 342.484 1.127 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866253815 596838458 /nfs/dbraw/zinc/83/84/58/596838458.db2.gz NGZDEZXHSNABST-OKZBNKHCSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccccc1/C=C/C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872255967 596856639 /nfs/dbraw/zinc/85/66/39/596856639.db2.gz PILQBFLCFYKNBL-ISANWLASSA-N 2 0 343.427 1.575 20 0 EDADRP COc1cc(C)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)n1 ZINC000872256900 596857115 /nfs/dbraw/zinc/85/71/15/596857115.db2.gz FHVPRPAWWXIURZ-BMFZPTHFSA-N 2 0 346.431 1.074 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3CCCCC[C@@H]3[NH3+])C[C@H]2[NH3+])cc1 ZINC000872310929 596876906 /nfs/dbraw/zinc/87/69/06/596876906.db2.gz RIIZLUAVMLYUCZ-VSZNYVQBSA-N 2 0 331.460 1.856 20 0 EDADRP C[C@@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1ccc(-n2cncn2)cc1 ZINC000866411599 596879556 /nfs/dbraw/zinc/87/95/56/596879556.db2.gz QOKDLWNLFXURQD-ZBFHGGJFSA-N 2 0 329.448 1.763 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)c3ncccc3C2)CC1 ZINC000872320019 596880321 /nfs/dbraw/zinc/88/03/21/596880321.db2.gz WZISSNNUOFJMMY-UHFFFAOYSA-N 2 0 331.508 1.750 20 0 EDADRP COCCC1([NH2+]Cc2ccc(-n3cncn3)c(C)c2)CC[NH2+]CC1 ZINC000873225382 597232676 /nfs/dbraw/zinc/23/26/76/597232676.db2.gz XEEHXTUZAOPFIY-UHFFFAOYSA-N 2 0 329.448 1.824 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005111 597240471 /nfs/dbraw/zinc/24/04/71/597240471.db2.gz IQXWIGPJWBBLKB-QRVBRYPASA-N 2 0 342.487 1.997 20 0 EDADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000873291947 597249443 /nfs/dbraw/zinc/24/94/43/597249443.db2.gz OJBDWYMVAMFUAH-RRFJBIMHSA-N 2 0 330.494 1.091 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC1([NH+](C)C)CCCC1 ZINC000876710305 597297880 /nfs/dbraw/zinc/29/78/80/597297880.db2.gz IFULEKDTSMAGGR-OAHLLOKOSA-N 2 0 333.480 1.720 20 0 EDADRP CC(C)(CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000876722887 597305521 /nfs/dbraw/zinc/30/55/21/597305521.db2.gz HNYGGYLKGWANCM-DOTOQJQBSA-N 2 0 333.451 1.887 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876722601 597306114 /nfs/dbraw/zinc/30/61/14/597306114.db2.gz ZMZMZVQWGBWHCW-MDZRGWNJSA-N 2 0 346.519 1.670 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)c3c(C[NH3+])cnn3C)C2)CC1 ZINC000876742228 597316439 /nfs/dbraw/zinc/31/64/39/597316439.db2.gz WAENDCBSPPHPBE-HNNXBMFYSA-N 2 0 333.480 1.463 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000876755211 597323994 /nfs/dbraw/zinc/32/39/94/597323994.db2.gz SYVFRGDJVGBQSC-HOTGVXAUSA-N 2 0 331.464 1.425 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876774827 597335529 /nfs/dbraw/zinc/33/55/29/597335529.db2.gz IGANPGDVFGAYJU-HOTGVXAUSA-N 2 0 341.471 1.333 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876779524 597337873 /nfs/dbraw/zinc/33/78/73/597337873.db2.gz ILAWPVBLTUCLEF-FDMDGMSGSA-N 2 0 328.460 1.933 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000876826093 597352370 /nfs/dbraw/zinc/35/23/70/597352370.db2.gz FWJCFZJSRMCMOQ-QGZVFWFLSA-N 2 0 339.443 1.649 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2CCSCC2)C[C@H]1C[NH+](C)C ZINC000875282531 597367154 /nfs/dbraw/zinc/36/71/54/597367154.db2.gz QXKBIHOSGCVZNL-HZPDHXFCSA-N 2 0 342.553 1.510 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000876890312 597371271 /nfs/dbraw/zinc/37/12/71/597371271.db2.gz WSTYINGEWOZUIH-UHFFFAOYSA-N 2 0 333.480 1.607 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]CC2CCS(=O)(=O)CC2)c1 ZINC000876942047 597392037 /nfs/dbraw/zinc/39/20/37/597392037.db2.gz OSSSFTRKWBXFQD-UHFFFAOYSA-N 2 0 340.489 1.541 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876964860 597399309 /nfs/dbraw/zinc/39/93/09/597399309.db2.gz TWHTUDXTAWRGQD-IWCQGFGOSA-N 2 0 335.423 1.205 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876965488 597400339 /nfs/dbraw/zinc/40/03/39/597400339.db2.gz DRUNWSAEKLLQSG-AJNGGQMLSA-N 2 0 339.386 1.097 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000877009097 597410555 /nfs/dbraw/zinc/41/05/55/597410555.db2.gz HHDIHHCMNZXNDV-UHFFFAOYSA-N 2 0 334.464 1.682 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Br)c2)C[NH2+]1 ZINC000877045958 597420739 /nfs/dbraw/zinc/42/07/39/597420739.db2.gz HEFZTINICXQOES-OASPWFOLSA-N 2 0 326.238 1.706 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[NH2+]1 ZINC000877045959 597421046 /nfs/dbraw/zinc/42/10/46/597421046.db2.gz HEFZTINICXQOES-WQAKAFBOSA-N 2 0 326.238 1.706 20 0 EDADRP CCOC(=O)N1CCC(C)(C[NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000877061991 597424604 /nfs/dbraw/zinc/42/46/04/597424604.db2.gz XETLSXBCLMSDFM-UHFFFAOYSA-N 2 0 327.469 1.291 20 0 EDADRP Cc1ccncc1[C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875447397 597431935 /nfs/dbraw/zinc/43/19/35/597431935.db2.gz PTRIAONJUOIHNO-BRWVUGGUSA-N 2 0 347.507 1.832 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000877108005 597434593 /nfs/dbraw/zinc/43/45/93/597434593.db2.gz NVSCSTVSCVVHGR-WDYCEAGBSA-N 2 0 331.460 1.331 20 0 EDADRP CC[C@H](CSC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875458952 597437155 /nfs/dbraw/zinc/43/71/55/597437155.db2.gz LXSFRULQVBRPAD-RBSFLKMASA-N 2 0 330.542 1.509 20 0 EDADRP C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000877143498 597442134 /nfs/dbraw/zinc/44/21/34/597442134.db2.gz QERGNSIOGDNBKD-BRSBDYLESA-N 3 0 338.540 1.210 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000877144409 597442178 /nfs/dbraw/zinc/44/21/78/597442178.db2.gz LXWKRDHIOUFPIK-KZNAEPCWSA-N 3 0 338.540 1.482 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1C[NH+](C)C ZINC000877144814 597442815 /nfs/dbraw/zinc/44/28/15/597442815.db2.gz WZKCRFVEPZLDRW-LMMKCTJWSA-N 3 0 344.503 1.071 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[NH2+]C1 ZINC000877155383 597445818 /nfs/dbraw/zinc/44/58/18/597445818.db2.gz UAHXTCMXJXKMAM-ZIAGYGMSSA-N 2 0 334.468 1.101 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877224628 597466317 /nfs/dbraw/zinc/46/63/17/597466317.db2.gz LDCZRJPATUDDJT-KRWDZBQOSA-N 2 0 332.492 1.045 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@]2(C[NH3+])CCCOC2)(c2ccccc2)CC1 ZINC000877225431 597466800 /nfs/dbraw/zinc/46/68/00/597466800.db2.gz UMMNFRGPRHLZQU-HXUWFJFHSA-N 2 0 345.487 1.522 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)C[C@H]2[NH3+])cc1 ZINC000877235455 597472642 /nfs/dbraw/zinc/47/26/42/597472642.db2.gz IJRDWUDCYKOGEE-QNDJGXFYSA-N 2 0 345.487 1.974 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]([NH3+])c3ccccc3C)C[C@H]2[NH3+])cc1 ZINC000877237612 597474204 /nfs/dbraw/zinc/47/42/04/597474204.db2.gz FGLKDSAYHSZQEP-OTWHNJEPSA-N 2 0 339.439 1.957 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877281577 597485884 /nfs/dbraw/zinc/48/58/84/597485884.db2.gz IQGAJNUPUDNKCH-RBUKOAKNSA-N 2 0 342.487 1.552 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]([NH3+])c1ccccc1 ZINC000877371437 597503821 /nfs/dbraw/zinc/50/38/21/597503821.db2.gz QNMDFXUCZSDGIG-DOERSZECSA-N 2 0 329.366 1.918 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cnc3ccccc3n2)C[C@H]1C[NH+](C)C ZINC000877670362 597546558 /nfs/dbraw/zinc/54/65/58/597546558.db2.gz LEUNNVRCMYAOAL-HZPDHXFCSA-N 2 0 327.476 1.801 20 0 EDADRP Cn1ncc(C2CCC2)c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670031 597546576 /nfs/dbraw/zinc/54/65/76/597546576.db2.gz FVSMLIBKHVZDIT-IAGOWNOFSA-N 2 0 333.524 1.859 20 0 EDADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877747403 597552846 /nfs/dbraw/zinc/55/28/46/597552846.db2.gz KFGQOCHDDKJPQZ-UHFFFAOYSA-N 2 0 333.524 1.757 20 0 EDADRP COc1cccc(C[C@@H]2CCC[N@@H+]2CC(=O)NC2CC[NH+](C)CC2)c1 ZINC000877984319 597567998 /nfs/dbraw/zinc/56/79/98/597567998.db2.gz FYRSYQGVWGPSHA-SFHVURJKSA-N 2 0 345.487 1.913 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000878001039 597568932 /nfs/dbraw/zinc/56/89/32/597568932.db2.gz KXPMMENYHWEYLO-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC1 ZINC000878297863 597593618 /nfs/dbraw/zinc/59/36/18/597593618.db2.gz BDHKUVWAGFMDAE-IBGZPJMESA-N 2 0 345.487 1.470 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCn2cnnn2)CC1 ZINC000878357869 597597516 /nfs/dbraw/zinc/59/75/16/597597516.db2.gz PONPZAHWWJPAEA-AWEZNQCLSA-N 2 0 347.442 1.305 20 0 EDADRP CN1C(=O)[C@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]2C1=O ZINC000879535849 597623639 /nfs/dbraw/zinc/62/36/39/597623639.db2.gz SZVHCZCZOPRILX-HDICACEKSA-N 2 0 341.455 1.719 20 0 EDADRP CCOC(=O)CCCCC[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879592006 597648293 /nfs/dbraw/zinc/64/82/93/597648293.db2.gz CCZJTSDWCRCODY-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+](C)CCOCCO)CC1 ZINC000883349945 597721809 /nfs/dbraw/zinc/72/18/09/597721809.db2.gz RITGNADVWWCPTK-MJGOQNOKSA-N 2 0 341.540 1.560 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@H+](C)CCOCCO)CC1 ZINC000883349943 597721881 /nfs/dbraw/zinc/72/18/81/597721881.db2.gz RITGNADVWWCPTK-HKUYNNGSSA-N 2 0 341.540 1.560 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826052 597725772 /nfs/dbraw/zinc/72/57/72/597725772.db2.gz PANKDFRIRNCLRC-RBSFLKMASA-N 2 0 343.512 1.969 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000878866718 597738912 /nfs/dbraw/zinc/73/89/12/597738912.db2.gz VOZDSMABBNHDCU-YJBOKZPZSA-N 2 0 341.496 1.632 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](CCCOC(F)(F)F)C1)[C@@H]1CCC[NH2+]1 ZINC000883424062 597741835 /nfs/dbraw/zinc/74/18/35/597741835.db2.gz DRQKQPJJBFGLFQ-OLZOCXBDSA-N 2 0 337.386 1.493 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@@H]([NH2+]C3CCOCC3)C2)CC[N@@H+]1C ZINC000883456794 597755195 /nfs/dbraw/zinc/75/51/95/597755195.db2.gz JKEDWIPYLGXYMN-DJIMGWMZSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ncc[nH]2)n1 ZINC000878968960 597769434 /nfs/dbraw/zinc/76/94/34/597769434.db2.gz GJXOTAQURYQITC-UHFFFAOYSA-N 2 0 336.465 1.099 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[NH2+]CCC34CCC4)cn2)CC1 ZINC000883577188 597809107 /nfs/dbraw/zinc/80/91/07/597809107.db2.gz DTECNRWWFJFMBV-UHFFFAOYSA-N 2 0 346.479 1.900 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883585719 597814181 /nfs/dbraw/zinc/81/41/81/597814181.db2.gz WIZGRFKEVHEOPS-WMLDXEAASA-N 2 0 331.464 1.830 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000880137176 597853729 /nfs/dbraw/zinc/85/37/29/597853729.db2.gz ZCZHNFIYNFXLKV-IPMKNSEASA-N 2 0 344.503 1.574 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000880250424 597882716 /nfs/dbraw/zinc/88/27/16/597882716.db2.gz JUXSBMHOIJDHOD-MJGOQNOKSA-N 2 0 335.492 1.304 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262104 597886483 /nfs/dbraw/zinc/88/64/83/597886483.db2.gz TWLWJODATZAOHD-WBVHZDCISA-N 2 0 331.416 1.763 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCOC1 ZINC000880467164 597939824 /nfs/dbraw/zinc/93/98/24/597939824.db2.gz XPZMWOMJDUXJBS-DOTOQJQBSA-N 2 0 325.497 1.770 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000884177412 598016049 /nfs/dbraw/zinc/01/60/49/598016049.db2.gz IWLKFYVBHHMIBB-IRXDYDNUSA-N 2 0 335.448 1.312 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH2+]CC2)c1)[N@@H+]1CCC[C@H](C)C1 ZINC000884188343 598019989 /nfs/dbraw/zinc/01/99/89/598019989.db2.gz FPFLHUSILKGDOX-JKSUJKDBSA-N 2 0 345.491 1.341 20 0 EDADRP CN(C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884213208 598031705 /nfs/dbraw/zinc/03/17/05/598031705.db2.gz WAQVBEWCGNEBQU-DOTOQJQBSA-N 2 0 327.428 1.998 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000884218398 598032537 /nfs/dbraw/zinc/03/25/37/598032537.db2.gz NJSLSMLVJGRHSR-INIZCTEOSA-N 2 0 340.512 1.055 20 0 EDADRP CN(C)c1ccc(F)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000880937765 598035242 /nfs/dbraw/zinc/03/52/42/598035242.db2.gz VZKZHZZWPJBRQT-UHFFFAOYSA-N 2 0 339.459 1.849 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CC3(C)C)nc2)CC1 ZINC000884236754 598038942 /nfs/dbraw/zinc/03/89/42/598038942.db2.gz FXKREBLTWNHILF-INIZCTEOSA-N 2 0 345.491 1.796 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000884243719 598041127 /nfs/dbraw/zinc/04/11/27/598041127.db2.gz NNLQEWPZRRMKNV-CQSZACIVSA-N 2 0 340.427 1.748 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3cc[nH]c3c2)C[C@H]1C[NH+](C)C ZINC000881021433 598054809 /nfs/dbraw/zinc/05/48/09/598054809.db2.gz ZYLQCBCOZVFHLS-HUUCEWRRSA-N 2 0 329.448 1.374 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)[C@H]([NH3+])Cc1cc3ccccc3o1)C2 ZINC000884382676 598087595 /nfs/dbraw/zinc/08/75/95/598087595.db2.gz PTSXLAHVTNKMLR-GMBSWORKSA-N 2 0 327.428 1.890 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000884432021 598103447 /nfs/dbraw/zinc/10/34/47/598103447.db2.gz PLBHSTRRXMWYFL-HNNXBMFYSA-N 2 0 332.448 1.162 20 0 EDADRP [NH3+][C@H](C(=O)NCC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000884432635 598103685 /nfs/dbraw/zinc/10/36/85/598103685.db2.gz KSUZDPRUFYYMDU-LBPRGKRZSA-N 2 0 342.237 1.073 20 0 EDADRP CCO[C@@H](CNC(=O)NCc1cccc(C[NH+](C)C)c1)C[NH+](C)C ZINC000914143168 695151384 /nfs/dbraw/zinc/15/13/84/695151384.db2.gz XCSKJTYYIXOZCC-KRWDZBQOSA-N 2 0 336.480 1.514 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000914160681 695172375 /nfs/dbraw/zinc/17/23/75/695172375.db2.gz ISEKGDJWPNETKN-QAPCUYQASA-N 2 0 345.491 1.858 20 0 EDADRP CC(C)[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC000992689159 695211905 /nfs/dbraw/zinc/21/19/05/695211905.db2.gz HZWJPWGJFAOCBD-GVDBMIGSSA-N 2 0 347.507 1.683 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000914191665 695267365 /nfs/dbraw/zinc/26/73/65/695267365.db2.gz BVGYNWGEHIRWGO-HUUCEWRRSA-N 2 0 340.537 1.740 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914205651 695276594 /nfs/dbraw/zinc/27/65/94/695276594.db2.gz WFDVYJPXWCGOTQ-CVEARBPZSA-N 2 0 329.510 1.076 20 0 EDADRP CN1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)c2c[nH+]ccc21 ZINC000914235512 695294654 /nfs/dbraw/zinc/29/46/54/695294654.db2.gz XJJRBTHHNPPTTD-INIZCTEOSA-N 2 0 336.461 1.154 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@H]21 ZINC000992879587 695423964 /nfs/dbraw/zinc/42/39/64/695423964.db2.gz UXFFZWWIUMADCK-CGTJXYLNSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)[C@@H]2C1 ZINC000992914022 695450511 /nfs/dbraw/zinc/45/05/11/695450511.db2.gz FLYAVEAWUFZHCR-UAGQMJEPSA-N 2 0 348.516 1.956 20 0 EDADRP CC[C@H](CNC(=S)NCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000914704094 695627535 /nfs/dbraw/zinc/62/75/35/695627535.db2.gz OBWXQOQSTBKDPU-QGZVFWFLSA-N 2 0 334.533 1.849 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2cc(-n3ccnc3)ccn2)CCC[N@@H+]1CCCO ZINC000994164071 696551577 /nfs/dbraw/zinc/55/15/77/696551577.db2.gz WIAUMKHZOQWBAU-GOEBONIOSA-N 2 0 343.431 1.232 20 0 EDADRP Cc1nsc(C)c1CN1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015702427 696562559 /nfs/dbraw/zinc/56/25/59/696562559.db2.gz NOOFRPBWHLXWIL-WFASDCNBSA-N 2 0 336.505 1.935 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1CCCO ZINC000948065940 697057066 /nfs/dbraw/zinc/05/70/66/697057066.db2.gz LDSIRPUBSWRXLK-RDJZCZTQSA-N 2 0 333.476 1.713 20 0 EDADRP CCc1ccccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031584310 697279575 /nfs/dbraw/zinc/27/95/75/697279575.db2.gz BLFVGJIVJAZCLB-LJQANCHMSA-N 2 0 329.488 1.934 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001031672459 697476998 /nfs/dbraw/zinc/47/69/98/697476998.db2.gz HAWRLZXLSKBORC-WMZOPIPTSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccc(CO)cc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675971 697488691 /nfs/dbraw/zinc/48/86/91/697488691.db2.gz XXSOVTHAQUOWPZ-LJQANCHMSA-N 2 0 343.471 1.069 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCC2C[NH+](CC3CCC3)C2)CC1 ZINC001031679456 697496938 /nfs/dbraw/zinc/49/69/38/697496938.db2.gz VXEQAJQUQOOITL-MOPGFXCFSA-N 2 0 349.519 1.581 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C[C@@H](O)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000921231685 697535142 /nfs/dbraw/zinc/53/51/42/697535142.db2.gz BDJDHPXRIORZFU-MHORFTMASA-N 2 0 325.497 1.017 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031729625 698055254 /nfs/dbraw/zinc/05/52/54/698055254.db2.gz RDPYALYKAZHXQQ-WMZOPIPTSA-N 2 0 337.508 1.439 20 0 EDADRP [NH3+]C1(CC(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CCC1 ZINC000237725507 698310989 /nfs/dbraw/zinc/31/09/89/698310989.db2.gz ICCPUPCDVCFCPA-UHFFFAOYSA-N 2 0 331.416 1.805 20 0 EDADRP C[C@@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516043 698430047 /nfs/dbraw/zinc/43/00/47/698430047.db2.gz KEAHXBJJBPJXJT-CRAIPNDOSA-N 2 0 347.507 1.685 20 0 EDADRP C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943519329 698435104 /nfs/dbraw/zinc/43/51/04/698435104.db2.gz WOFYCWLIAXKENF-MAUKXSAKSA-N 2 0 347.507 1.685 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3ccnn3C)C[C@@H]2C)CC1 ZINC000943756432 698831143 /nfs/dbraw/zinc/83/11/43/698831143.db2.gz PSVIMVTWEKUAPQ-WMZOPIPTSA-N 2 0 347.507 1.479 20 0 EDADRP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)C12CCC[NH+](CCC1)C2 ZINC001031765350 699051211 /nfs/dbraw/zinc/05/12/11/699051211.db2.gz WJIKVTGFJOIOBG-UHFFFAOYSA-N 2 0 341.446 1.956 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001031766560 699063947 /nfs/dbraw/zinc/06/39/47/699063947.db2.gz KZDDELKABHPMLC-WMZOPIPTSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)o1 ZINC000939137836 699225451 /nfs/dbraw/zinc/22/54/51/699225451.db2.gz OCLXLMIHICCHJA-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939256719 699433451 /nfs/dbraw/zinc/43/34/51/699433451.db2.gz DUEJDTCCFHKLET-QAPCUYQASA-N 2 0 347.507 1.571 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)o1 ZINC000939399172 699548564 /nfs/dbraw/zinc/54/85/64/699548564.db2.gz WAQSDTNPYHQGAK-RHSMWYFYSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3ccnn3C)C2)CC1 ZINC000939453620 699599967 /nfs/dbraw/zinc/59/99/67/699599967.db2.gz KSKYVPOCUVYSOW-QAPCUYQASA-N 2 0 347.507 1.477 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939549749 699682353 /nfs/dbraw/zinc/68/23/53/699682353.db2.gz CJQAFSMJVZXNMK-BBRMVZONSA-N 2 0 342.447 1.131 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccccc1F ZINC000939545347 699687373 /nfs/dbraw/zinc/68/73/73/699687373.db2.gz NRBFLXGVPHIENG-WMLDXEAASA-N 2 0 331.435 1.858 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939754120 699904253 /nfs/dbraw/zinc/90/42/53/699904253.db2.gz LCNIENWITFBOSJ-UKRRQHHQSA-N 2 0 336.867 1.767 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)sc1C ZINC000939755146 699906185 /nfs/dbraw/zinc/90/61/85/699906185.db2.gz PPNUNMZFHOYUMM-IUODEOHRSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)sc1C ZINC000939755147 699906194 /nfs/dbraw/zinc/90/61/94/699906194.db2.gz PPNUNMZFHOYUMM-SWLSCSKDSA-N 2 0 336.505 1.792 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939810767 699958994 /nfs/dbraw/zinc/95/89/94/699958994.db2.gz OYZLVQWUHZLWIS-CABCVRRESA-N 2 0 336.505 1.956 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)o1 ZINC000939813270 699960638 /nfs/dbraw/zinc/96/06/38/699960638.db2.gz YPVDSTVNXQCUQT-WMLDXEAASA-N 2 0 334.464 1.796 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1)C1CCC1 ZINC000940153862 700283772 /nfs/dbraw/zinc/28/37/72/700283772.db2.gz BXFAEQBDYTZRNQ-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C)([NH2+]CC2CC2)CC1 ZINC000940176355 700308952 /nfs/dbraw/zinc/30/89/52/700308952.db2.gz GBROQWSQEJIWAK-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940179269 700313189 /nfs/dbraw/zinc/31/31/89/700313189.db2.gz SEUUDDCDKCEFGY-MRXNPFEDSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC000940179478 700313399 /nfs/dbraw/zinc/31/33/99/700313399.db2.gz VOPVKCJINDAFIX-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001031875361 700374102 /nfs/dbraw/zinc/37/41/02/700374102.db2.gz PAXUWMHSUAZSSN-MRXNPFEDSA-N 2 0 345.487 1.489 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940328052 700505848 /nfs/dbraw/zinc/50/58/48/700505848.db2.gz DTDQNCGAEJDETN-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940329478 700508823 /nfs/dbraw/zinc/50/88/23/700508823.db2.gz UESMSKCISGSYOJ-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169545 701649150 /nfs/dbraw/zinc/64/91/50/701649150.db2.gz UPWRSFLAJALXEO-HZPDHXFCSA-N 2 0 343.475 1.255 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940426350 700620135 /nfs/dbraw/zinc/62/01/35/700620135.db2.gz RBXBWKNLZWTXEY-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457836 700661418 /nfs/dbraw/zinc/66/14/18/700661418.db2.gz XCRBBVAUIUTSFE-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)on1 ZINC000940461703 700664804 /nfs/dbraw/zinc/66/48/04/700664804.db2.gz IWVMEOKJYHEMOO-ZDUSSCGKSA-N 2 0 336.436 1.106 20 0 EDADRP Cc1ncsc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940461954 700665587 /nfs/dbraw/zinc/66/55/87/700665587.db2.gz SREBINQYGCIUEL-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940461958 700665688 /nfs/dbraw/zinc/66/56/88/700665688.db2.gz SYABBPIABZMBFH-HNNXBMFYSA-N 2 0 348.495 1.029 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995078636 700671550 /nfs/dbraw/zinc/67/15/50/700671550.db2.gz KLXLTKVLCWZDMC-DOTOQJQBSA-N 2 0 347.507 1.619 20 0 EDADRP CC1(C)CN(Cc2cnon2)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000940746000 700872210 /nfs/dbraw/zinc/87/22/10/700872210.db2.gz XUBSLBXXGDJCKH-HZPDHXFCSA-N 2 0 347.463 1.128 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)CC[N@@H+]1C ZINC000940756541 700892074 /nfs/dbraw/zinc/89/20/74/700892074.db2.gz BAILJSRZKODGLI-ARFHVFGLSA-N 2 0 325.497 1.316 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCOC)CC1(C)C ZINC000940785070 700895711 /nfs/dbraw/zinc/89/57/11/700895711.db2.gz GXQDCVHTGZPBRY-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](CC(C)C)C2)C(C)(C)C1 ZINC000940799972 700917087 /nfs/dbraw/zinc/91/70/87/700917087.db2.gz UNVDJXGXWRPNEF-DLBZAZTESA-N 2 0 339.524 1.827 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835278 700933339 /nfs/dbraw/zinc/93/33/39/700933339.db2.gz BEVDRGNYIMTYRT-HOTGVXAUSA-N 2 0 337.508 1.460 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940857762 700956271 /nfs/dbraw/zinc/95/62/71/700956271.db2.gz CRGDAZSUHOYVNI-SJORKVTESA-N 2 0 339.524 1.706 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCC1 ZINC000940945252 701010549 /nfs/dbraw/zinc/01/05/49/701010549.db2.gz ZJWPFSQGWJWWSN-OAHLLOKOSA-N 2 0 325.497 1.460 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001031918196 701029865 /nfs/dbraw/zinc/02/98/65/701029865.db2.gz AHNWYQLONHSRPO-KRWDZBQOSA-N 2 0 333.480 1.053 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(Cc3cnc(C)nc3)C2)C1 ZINC001031919271 701043058 /nfs/dbraw/zinc/04/30/58/701043058.db2.gz QJKAIAYJDPYQON-SFHVURJKSA-N 2 0 345.491 1.455 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001031922368 701083261 /nfs/dbraw/zinc/08/32/61/701083261.db2.gz BGQGQFFIFWAWTP-KRWDZBQOSA-N 2 0 337.508 1.580 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCO)CC2(C)C)cc1 ZINC000941094057 701132395 /nfs/dbraw/zinc/13/23/95/701132395.db2.gz WOWIFMQYMRNYRN-KRWDZBQOSA-N 2 0 333.476 1.571 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)CC1 ZINC000941137700 701196919 /nfs/dbraw/zinc/19/69/19/701196919.db2.gz CLGRWEGBYWOBTF-KRWDZBQOSA-N 2 0 339.524 1.706 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941164919 701230861 /nfs/dbraw/zinc/23/08/61/701230861.db2.gz YVTBFVUGMKZHBF-SJORKVTESA-N 2 0 347.507 1.442 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408909 701521309 /nfs/dbraw/zinc/52/13/09/701521309.db2.gz YDNXVRKZJVXDMJ-QZTJIDSGSA-N 2 0 348.535 1.345 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1)C1CC1 ZINC000941437082 701540270 /nfs/dbraw/zinc/54/02/70/701540270.db2.gz RDKDCZCCCYEGOW-LJQANCHMSA-N 2 0 348.535 1.345 20 0 EDADRP Cc1cccc(C)c1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130121 701834736 /nfs/dbraw/zinc/83/47/36/701834736.db2.gz GMHZBNLCGDHOFP-UHFFFAOYSA-N 2 0 327.472 1.947 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031976531 701966189 /nfs/dbraw/zinc/96/61/89/701966189.db2.gz OAJYPPFPUIZVFN-KDOFPFPSSA-N 2 0 340.471 1.914 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190763 706632894 /nfs/dbraw/zinc/63/28/94/706632894.db2.gz TVANITFQMCFIDK-OWCLPIDISA-N 2 0 333.480 1.324 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000999191379 706634104 /nfs/dbraw/zinc/63/41/04/706634104.db2.gz XYVCMJKHCUGHHZ-RVKKMQEKSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CF)cc2)C1 ZINC001031977673 702030525 /nfs/dbraw/zinc/03/05/25/702030525.db2.gz FXQCBGYIEWTTOL-RDTXWAMCSA-N 2 0 333.451 1.902 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccns3)C(C)(C)C2)CC[N@@H+]1C ZINC000995829243 702103058 /nfs/dbraw/zinc/10/30/58/702103058.db2.gz CRWYDXQMJXMZDV-BPLDGKMQSA-N 2 0 336.505 1.810 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995830630 702105717 /nfs/dbraw/zinc/10/57/17/702105717.db2.gz HESZGZZIBCMBSA-OAGGEKHMSA-N 2 0 333.480 1.050 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)ncn1 ZINC000995832513 702108998 /nfs/dbraw/zinc/10/89/98/702108998.db2.gz NBOHSJIHABLOMJ-OIISXLGYSA-N 2 0 345.491 1.452 20 0 EDADRP CC(C)Oc1ccccc1CN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032183022 702153868 /nfs/dbraw/zinc/15/38/68/702153868.db2.gz XSLZGMBSYLVLGV-GOSISDBHSA-N 2 0 345.487 1.974 20 0 EDADRP CCn1ncnc1CN[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995891788 702190385 /nfs/dbraw/zinc/19/03/85/702190385.db2.gz DHUURHKXCFMJRM-AWEZNQCLSA-N 2 0 348.495 1.109 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995886859 702223298 /nfs/dbraw/zinc/22/32/98/702223298.db2.gz ODLYIVHUGGOCAV-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995921780 702244001 /nfs/dbraw/zinc/24/40/01/702244001.db2.gz CBZDLVQUCRVVCW-IRXDYDNUSA-N 2 0 349.523 1.641 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944156690 702452644 /nfs/dbraw/zinc/45/26/44/702452644.db2.gz VORHLBDKSAJLKG-SUMWQHHRSA-N 2 0 346.475 1.714 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996247232 702650063 /nfs/dbraw/zinc/65/00/63/702650063.db2.gz MEGMFINRWWAYQI-IAGOWNOFSA-N 2 0 347.507 1.698 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)[NH+](C)C ZINC000996249786 702652026 /nfs/dbraw/zinc/65/20/26/702652026.db2.gz TXYAHFMQWCJZDJ-JKSUJKDBSA-N 2 0 335.496 1.296 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c(C)o1 ZINC000995209708 702676259 /nfs/dbraw/zinc/67/62/59/702676259.db2.gz LAVPLEWTRCAESQ-HZPDHXFCSA-N 2 0 334.464 1.762 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2(C)C)n1 ZINC000996299930 702691115 /nfs/dbraw/zinc/69/11/15/702691115.db2.gz GWOYWJLZXACQFJ-WBVHZDCISA-N 2 0 347.507 1.714 20 0 EDADRP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)on1 ZINC000995214036 702716048 /nfs/dbraw/zinc/71/60/48/702716048.db2.gz RBEFJDMIRSEJSG-KGLIPLIRSA-N 2 0 336.436 1.154 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1 ZINC000996465126 702792501 /nfs/dbraw/zinc/79/25/01/702792501.db2.gz QMUHSGJQFIGOAP-GOEBONIOSA-N 2 0 348.495 1.330 20 0 EDADRP CC1(C)CN(C(=O)Cc2ncc[nH]2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000996454903 702799499 /nfs/dbraw/zinc/79/94/99/702799499.db2.gz DJEZDSLVPSXWDZ-MRXNPFEDSA-N 2 0 342.443 1.471 20 0 EDADRP CC(C)(C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)c1cnc[nH]1 ZINC000996512130 702831464 /nfs/dbraw/zinc/83/14/64/702831464.db2.gz AWLJSHYASHNSJH-INIZCTEOSA-N 2 0 348.491 1.941 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H](NCc3nccs3)C(C)(C)C2)C1 ZINC000996517737 702852995 /nfs/dbraw/zinc/85/29/95/702852995.db2.gz GSUIGHVDISEZMS-KBPBESRZSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)ncn1 ZINC000996521940 702857561 /nfs/dbraw/zinc/85/75/61/702857561.db2.gz UMYKJDSQGOKPFA-MRXNPFEDSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)on1 ZINC000996522709 702858346 /nfs/dbraw/zinc/85/83/46/702858346.db2.gz ZDFSFCKGFHOWEZ-HNNXBMFYSA-N 2 0 332.448 1.405 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000996560611 702879152 /nfs/dbraw/zinc/87/91/52/702879152.db2.gz KWPAZVMTPDDXBM-QGZVFWFLSA-N 2 0 348.516 1.608 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC[N@@H+]1C ZINC000996601876 702908841 /nfs/dbraw/zinc/90/88/41/702908841.db2.gz AXGPGZSOZMWLEH-DLBZAZTESA-N 2 0 333.480 1.194 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996606986 702910321 /nfs/dbraw/zinc/91/03/21/702910321.db2.gz BRTLSERMXWTTAK-WMLDXEAASA-N 2 0 348.491 1.824 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)nn1C ZINC000996612903 702918016 /nfs/dbraw/zinc/91/80/16/702918016.db2.gz SIZGWDIWYWKOIM-MRXNPFEDSA-N 2 0 333.480 1.151 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996609932 702921080 /nfs/dbraw/zinc/92/10/80/702921080.db2.gz IUAJSZXXSYTKCQ-CABCVRRESA-N 2 0 333.480 1.181 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1 ZINC000996625361 702929038 /nfs/dbraw/zinc/92/90/38/702929038.db2.gz RJTPFNYRWNXYOO-WBVHZDCISA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996675054 702974124 /nfs/dbraw/zinc/97/41/24/702974124.db2.gz DYNJMSNCIBDDEL-QGZVFWFLSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996677610 702976391 /nfs/dbraw/zinc/97/63/91/702976391.db2.gz LOGNCGQUVHDSDZ-GOSISDBHSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996680786 702979251 /nfs/dbraw/zinc/97/92/51/702979251.db2.gz VFGOSZDOGXFMHD-KRWDZBQOSA-N 2 0 331.464 1.206 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996680951 702979517 /nfs/dbraw/zinc/97/95/17/702979517.db2.gz XDPZDNDYOCUROB-GOSISDBHSA-N 2 0 348.491 1.966 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996685914 702983497 /nfs/dbraw/zinc/98/34/97/702983497.db2.gz BKQRALXVNXBLHU-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000996691105 702988414 /nfs/dbraw/zinc/98/84/14/702988414.db2.gz SCYPXWZYAAZRNL-XJKSGUPXSA-N 2 0 348.495 1.629 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996691982 702988571 /nfs/dbraw/zinc/98/85/71/702988571.db2.gz UTBRODHHMBRYJB-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N(Cc1cccnc1)C[C@H]1CC[NH+](CCF)C1 ZINC000995257735 703017702 /nfs/dbraw/zinc/01/77/02/703017702.db2.gz LHWRERQCCIDQAN-ROUUACIJSA-N 2 0 348.466 1.796 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996723490 703018456 /nfs/dbraw/zinc/01/84/56/703018456.db2.gz NIAPONSAGQFNBF-SFHVURJKSA-N 2 0 345.491 1.394 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@@H](C)C1 ZINC000942529167 703029986 /nfs/dbraw/zinc/02/99/86/703029986.db2.gz GSJZEQYLRQSMOO-LPHOPBHVSA-N 2 0 347.503 1.877 20 0 EDADRP Cc1nc([C@@H](C)NC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)no1 ZINC000996768574 703059922 /nfs/dbraw/zinc/05/99/22/703059922.db2.gz CVFMPOOLLNWEMC-CYBMUJFWSA-N 2 0 347.463 1.648 20 0 EDADRP C[C@H]1C[N@H+](CCc2ccnn2C)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598144 703113392 /nfs/dbraw/zinc/11/33/92/703113392.db2.gz RXDBMBKMLXYXLP-YJBOKZPZSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)co1 ZINC000996856866 703134921 /nfs/dbraw/zinc/13/49/21/703134921.db2.gz KKUCLEXGWFLNCW-GOSISDBHSA-N 2 0 346.475 1.938 20 0 EDADRP CCc1nc(CNC2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)no1 ZINC000996923235 703194093 /nfs/dbraw/zinc/19/40/93/703194093.db2.gz RSODYBSKUAXRRP-KBPBESRZSA-N 2 0 349.479 1.443 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000996957098 703220344 /nfs/dbraw/zinc/22/03/44/703220344.db2.gz XHKMBYGEDHWQKZ-GFCCVEGCSA-N 2 0 334.468 1.097 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)[nH]1 ZINC000996965291 703225624 /nfs/dbraw/zinc/22/56/24/703225624.db2.gz OEHYPYSHPMFKLS-IUODEOHRSA-N 2 0 336.484 1.341 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000996997743 703254532 /nfs/dbraw/zinc/25/45/32/703254532.db2.gz GFDCBIQMDOMCBH-JKSUJKDBSA-N 2 0 345.491 1.911 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)O1 ZINC000996999409 703256295 /nfs/dbraw/zinc/25/62/95/703256295.db2.gz OELYPGIIUCGDNJ-NVXWUHKLSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)n1 ZINC000997006520 703263849 /nfs/dbraw/zinc/26/38/49/703263849.db2.gz GWGSUALXGGNZHH-RDTXWAMCSA-N 2 0 347.507 1.278 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006902 703264107 /nfs/dbraw/zinc/26/41/07/703264107.db2.gz HFRGCZAHFKIPBZ-CXAGYDPISA-N 2 0 334.439 1.499 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC000997007298 703264734 /nfs/dbraw/zinc/26/47/34/703264734.db2.gz PQLILFIZGCDJIF-CQSZACIVSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC000997008497 703266537 /nfs/dbraw/zinc/26/65/37/703266537.db2.gz MUUTXUQHPUFTFN-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997008604 703266869 /nfs/dbraw/zinc/26/68/69/703266869.db2.gz VSYYKARYHVFHIL-HNNXBMFYSA-N 2 0 330.476 1.812 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000997073941 703314093 /nfs/dbraw/zinc/31/40/93/703314093.db2.gz ZWWFIRQJJARYMY-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997086313 703331855 /nfs/dbraw/zinc/33/18/55/703331855.db2.gz XWCASHHPDXOXEV-ZWKOTPCHSA-N 2 0 345.491 1.481 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921526430 703360479 /nfs/dbraw/zinc/36/04/79/703360479.db2.gz GTXGPQPUQFDLTB-UHFFFAOYSA-N 2 0 330.274 1.289 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1CC[NH+](CCCO)CC1 ZINC000997122291 703380581 /nfs/dbraw/zinc/38/05/81/703380581.db2.gz XGZGUXDXXHOWSX-NVXWUHKLSA-N 2 0 325.497 1.460 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921528414 703388507 /nfs/dbraw/zinc/38/85/07/703388507.db2.gz UPWFZKGQSRAHDC-UHFFFAOYSA-N 2 0 330.274 1.289 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000921529542 703390087 /nfs/dbraw/zinc/39/00/87/703390087.db2.gz BGCFVTWAPWRPMT-JKSUJKDBSA-N 2 0 338.496 1.148 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCOC ZINC000925339167 703407802 /nfs/dbraw/zinc/40/78/02/703407802.db2.gz WWMXWDGCZOSADM-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)n1 ZINC000997178050 703464670 /nfs/dbraw/zinc/46/46/70/703464670.db2.gz ANEYRVUWYAXIAK-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997184047 703469788 /nfs/dbraw/zinc/46/97/88/703469788.db2.gz LXJUBPPJMXCPGM-CABCVRRESA-N 2 0 334.464 1.966 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)sc1C ZINC000997189836 703472083 /nfs/dbraw/zinc/47/20/83/703472083.db2.gz UZFCSLGVKMYJSG-UHFFFAOYSA-N 2 0 348.516 1.936 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000997184900 703473366 /nfs/dbraw/zinc/47/33/66/703473366.db2.gz AHSSSLTWXMJOGN-UHFFFAOYSA-N 2 0 332.448 1.468 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)Cc3[nH]cnc3C)CC2)o1 ZINC000997220524 703498821 /nfs/dbraw/zinc/49/88/21/703498821.db2.gz CEPYTPUSQCJRAU-CYBMUJFWSA-N 2 0 331.420 1.899 20 0 EDADRP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000997227950 703503835 /nfs/dbraw/zinc/50/38/35/703503835.db2.gz BSZAUUMGRQOSMM-LOPSVYGOSA-N 2 0 349.519 1.722 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC000997300427 703544044 /nfs/dbraw/zinc/54/40/44/703544044.db2.gz UWXTUVQCZAKSTL-KGLIPLIRSA-N 2 0 329.435 1.954 20 0 EDADRP COCc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000997297286 703555886 /nfs/dbraw/zinc/55/58/86/703555886.db2.gz FCLILQJDCKHABX-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1 ZINC000997367089 703601416 /nfs/dbraw/zinc/60/14/16/703601416.db2.gz JWXWSDJKASHQBN-YLJYHZDGSA-N 2 0 349.519 1.870 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC[C@H]1CCOC1)C1CCC1 ZINC001032448880 703624729 /nfs/dbraw/zinc/62/47/29/703624729.db2.gz YIHQESCXWTUPCH-SZMVWBNQSA-N 2 0 335.492 1.573 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032478358 703708581 /nfs/dbraw/zinc/70/85/81/703708581.db2.gz CFYJCJAGIMQBGX-KKUMJFAQSA-N 2 0 327.419 1.801 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997613589 703912990 /nfs/dbraw/zinc/91/29/90/703912990.db2.gz OQDBBPLTDWCWSM-IUODEOHRSA-N 2 0 334.468 1.097 20 0 EDADRP CCn1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997613733 703913345 /nfs/dbraw/zinc/91/33/45/703913345.db2.gz POQZUVMEHNJXCJ-QGZVFWFLSA-N 2 0 348.495 1.029 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033080376 704146404 /nfs/dbraw/zinc/14/64/04/704146404.db2.gz HBOFKIQRBLSHBM-ROUUACIJSA-N 2 0 335.492 1.288 20 0 EDADRP C[C@@H](F)CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084055 704153066 /nfs/dbraw/zinc/15/30/66/704153066.db2.gz DTZRZDKNCJNXLC-HUUCEWRRSA-N 2 0 339.459 1.339 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033085019 704156082 /nfs/dbraw/zinc/15/60/82/704156082.db2.gz NOCDYZDUSYEONH-INIZCTEOSA-N 2 0 333.480 1.391 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCOC2)CC1 ZINC001032711210 706805006 /nfs/dbraw/zinc/80/50/06/706805006.db2.gz LZOUZFBUGPNMHZ-NEWSRXKRSA-N 2 0 349.519 1.819 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]C2CCOCC2)CC1)[C@@H]1CCSC1 ZINC000922875795 704443668 /nfs/dbraw/zinc/44/36/68/704443668.db2.gz NSULGUGNQKLAET-MRXNPFEDSA-N 2 0 341.521 1.183 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCn1ccnc1)C1CCCC1 ZINC001032550197 704685827 /nfs/dbraw/zinc/68/58/27/704685827.db2.gz HIHDJVSZEPBMKU-OKZBNKHCSA-N 2 0 346.475 1.764 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997784414 704688145 /nfs/dbraw/zinc/68/81/45/704688145.db2.gz PAJDVBJYBDLYDV-LJQANCHMSA-N 2 0 342.487 1.752 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)CCC1 ZINC000997822454 704742182 /nfs/dbraw/zinc/74/21/82/704742182.db2.gz DOOXOZTUDKWVSQ-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000997829753 704748263 /nfs/dbraw/zinc/74/82/63/704748263.db2.gz BVGQQTQUAQDVSE-ZDUSSCGKSA-N 2 0 349.479 1.752 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1)c1nncn1C ZINC000997830236 704748693 /nfs/dbraw/zinc/74/86/93/704748693.db2.gz FUGYHVDBTQMVRA-CJNGLKHVSA-N 2 0 348.495 1.045 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000997865442 704772427 /nfs/dbraw/zinc/77/24/27/704772427.db2.gz OWPAKLAZDXLJRC-SFHVURJKSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCO)CC1 ZINC000997871929 704777706 /nfs/dbraw/zinc/77/77/06/704777706.db2.gz RRKZMXVMHPCHHD-HNNXBMFYSA-N 2 0 333.476 1.571 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944945510 704798601 /nfs/dbraw/zinc/79/86/01/704798601.db2.gz RQOOHRIPTXIAQB-YOEHRIQHSA-N 2 0 334.464 1.659 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)[C@@H](C)C1 ZINC000944965387 704835462 /nfs/dbraw/zinc/83/54/62/704835462.db2.gz RWIQYZZLQKJYGQ-SUMWQHHRSA-N 2 0 345.447 1.769 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)co1 ZINC000998033330 705223722 /nfs/dbraw/zinc/22/37/22/705223722.db2.gz ZFHRMGGLYZFDLV-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000998045819 705241842 /nfs/dbraw/zinc/24/18/42/705241842.db2.gz FJLKJXYFKKAWOR-QGZVFWFLSA-N 2 0 336.480 1.897 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccc(F)cn2)CC1 ZINC000998081580 705302655 /nfs/dbraw/zinc/30/26/55/705302655.db2.gz JXDBNXQURUVLSB-KSSFIOAISA-N 2 0 348.466 1.747 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)co1 ZINC000998217256 705539690 /nfs/dbraw/zinc/53/96/90/705539690.db2.gz NYBPQLGFXUXSBN-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)C1 ZINC000998218301 705541260 /nfs/dbraw/zinc/54/12/60/705541260.db2.gz ZDXRGFPCZLBRAV-MRXNPFEDSA-N 2 0 331.464 1.147 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998263907 705634277 /nfs/dbraw/zinc/63/42/77/705634277.db2.gz BDUUQDIJBHUKGY-DZGCQCFKSA-N 2 0 348.495 1.208 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CC[C@]3(C2)CCC[N@H+](CCO)C3)CC1 ZINC001040479402 705672218 /nfs/dbraw/zinc/67/22/18/705672218.db2.gz QMNSMMCERICJAH-LJQANCHMSA-N 2 0 337.508 1.414 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)n2)CC1 ZINC000998286228 705681929 /nfs/dbraw/zinc/68/19/29/705681929.db2.gz JIASPCAEFPRGGA-KRWDZBQOSA-N 2 0 348.495 1.018 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998731275 706163724 /nfs/dbraw/zinc/16/37/24/706163724.db2.gz MYGWVLDKSSMTGC-DLBZAZTESA-N 2 0 333.480 1.639 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(CC)n3)C2)CC[N@@H+]1C ZINC000998792297 706238848 /nfs/dbraw/zinc/23/88/48/706238848.db2.gz XFNYDHHEUHOMSF-ZGUYJTEBSA-N 2 0 347.507 1.712 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cc(C4CC4)no3)C2)CC[N@@H+]1C ZINC000998792187 706238955 /nfs/dbraw/zinc/23/89/55/706238955.db2.gz VJPAYMBQVXAURL-IGHZYHEGSA-N 2 0 346.475 1.971 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998993974 706411227 /nfs/dbraw/zinc/41/12/27/706411227.db2.gz HXYIVLKTYWRSRI-UYSNPLJNSA-N 2 0 333.480 1.466 20 0 EDADRP COc1ccncc1CC(=O)N(C)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000998987988 706419898 /nfs/dbraw/zinc/41/98/98/706419898.db2.gz QEDXAMBCIUVRCH-OOHWJJMZSA-N 2 0 347.459 1.638 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000998988646 706420638 /nfs/dbraw/zinc/42/06/38/706420638.db2.gz XTFSXEYROHUPQC-KLAILNCOSA-N 2 0 335.492 1.478 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]C[C@@H]2CCCCO2)C1 ZINC000999050803 706471625 /nfs/dbraw/zinc/47/16/25/706471625.db2.gz MAUAFWJUKDYZRZ-JCYILVPMSA-N 2 0 335.492 1.763 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCCO3)C[C@H]2CC1 ZINC000946517455 706521951 /nfs/dbraw/zinc/52/19/51/706521951.db2.gz DMEZBNCKDYZFNZ-FCGDIQPGSA-N 2 0 349.519 1.820 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC000999142643 706556336 /nfs/dbraw/zinc/55/63/36/706556336.db2.gz CFPSFUANCHWALT-SJORKVTESA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999145523 706559211 /nfs/dbraw/zinc/55/92/11/706559211.db2.gz SBUAOTYEZINEQN-HZPDHXFCSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999145520 706559358 /nfs/dbraw/zinc/55/93/58/706559358.db2.gz SBUAOTYEZINEQN-HOTGVXAUSA-N 2 0 333.480 1.374 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCn3cccn3)C[C@H]2CC1 ZINC000946518060 706568376 /nfs/dbraw/zinc/56/83/76/706568376.db2.gz NHPHHTOCMXCQBE-FGTMMUONSA-N 2 0 345.491 1.148 20 0 EDADRP Cc1noc(CN[C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)n1 ZINC000999155629 706585602 /nfs/dbraw/zinc/58/56/02/706585602.db2.gz YXAOEVNJKFYHBA-HNNXBMFYSA-N 2 0 349.479 1.723 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]Cc3ccc(F)cn3)C2)CCC1 ZINC000999346991 706858501 /nfs/dbraw/zinc/85/85/01/706858501.db2.gz HOYKYKCFVLUBDX-MRXNPFEDSA-N 2 0 334.439 1.786 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999348210 706860339 /nfs/dbraw/zinc/86/03/39/706860339.db2.gz MNLVJURHJGZJLW-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1)C1CC1 ZINC000999374992 706869311 /nfs/dbraw/zinc/86/93/11/706869311.db2.gz SRGUWVXURFEWHA-OALUTQOASA-N 2 0 345.487 1.600 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC000999407152 706916435 /nfs/dbraw/zinc/91/64/35/706916435.db2.gz DHFYCIBMNGVILO-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]C[C@H]2CCCOC2)C1)C12CCC[NH+]1CCC2 ZINC000999596926 707099927 /nfs/dbraw/zinc/09/99/27/707099927.db2.gz NLTSGNPRGKEBBX-SJORKVTESA-N 2 0 335.492 1.622 20 0 EDADRP O=C(c1ccn(-c2cc[nH+]cc2)n1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999666165 707194388 /nfs/dbraw/zinc/19/43/88/707194388.db2.gz HJLNBWKARCFKMB-HNNXBMFYSA-N 2 0 325.416 1.872 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279713 707347947 /nfs/dbraw/zinc/34/79/47/707347947.db2.gz WOGPIEXXGJISSS-NNVNDSJASA-N 2 0 347.503 1.573 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033182684 707357581 /nfs/dbraw/zinc/35/75/81/707357581.db2.gz QVBACTYAACABQZ-MSOLQXFVSA-N 2 0 349.519 1.822 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000999828039 707456536 /nfs/dbraw/zinc/45/65/36/707456536.db2.gz BCYDNPXCVZINKA-GTPINHCMSA-N 2 0 347.507 1.669 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999829513 707458408 /nfs/dbraw/zinc/45/84/08/707458408.db2.gz IMZIHZFAFWDVRU-WLYUNCDWSA-N 2 0 334.464 1.576 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2noc3c2CCCC3)C1 ZINC000999832241 707462675 /nfs/dbraw/zinc/46/26/75/707462675.db2.gz AXQQUNIOFPVUBH-UHFFFAOYSA-N 2 0 346.475 1.728 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000999875182 707521899 /nfs/dbraw/zinc/52/18/99/707521899.db2.gz DBLWGJTUVJQFIJ-HNNXBMFYSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999876424 707524366 /nfs/dbraw/zinc/52/43/66/707524366.db2.gz MTLXJRNEKHNOFZ-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCc2ccns2)CCN1C(=O)Cc1ncc[nH]1 ZINC001044810601 707539064 /nfs/dbraw/zinc/53/90/64/707539064.db2.gz VZHLRARCYXKXDX-CHWSQXEVSA-N 2 0 333.461 1.621 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000999971548 707582009 /nfs/dbraw/zinc/58/20/09/707582009.db2.gz BPGYORNMLBPHSD-ROUUACIJSA-N 2 0 347.507 1.623 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999973435 707585965 /nfs/dbraw/zinc/58/59/65/707585965.db2.gz KOGMFRQARZHZJG-FUHWJXTLSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)ncn1 ZINC001000018838 707644973 /nfs/dbraw/zinc/64/49/73/707644973.db2.gz FDSBFVRVGXNFDT-ULQDDVLXSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926153 707667613 /nfs/dbraw/zinc/66/76/13/707667613.db2.gz KNAPTYRNFXKMIV-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033424405 707841428 /nfs/dbraw/zinc/84/14/28/707841428.db2.gz QZHDMDXGNAYZEB-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1oncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004994861 707881795 /nfs/dbraw/zinc/88/17/95/707881795.db2.gz WRYDZCAZLFFVJH-WMLDXEAASA-N 2 0 334.464 1.938 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033229469 707883730 /nfs/dbraw/zinc/88/37/30/707883730.db2.gz SYXUUJFWJVEPBJ-INIZCTEOSA-N 2 0 335.492 1.717 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC001000545332 708049157 /nfs/dbraw/zinc/04/91/57/708049157.db2.gz LMXJLMWNSPQBOE-SFHVURJKSA-N 2 0 347.507 1.716 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC001033594997 708297703 /nfs/dbraw/zinc/29/77/03/708297703.db2.gz TUNCASSCLZFAQU-QGZVFWFLSA-N 2 0 345.491 1.074 20 0 EDADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001001924699 708431601 /nfs/dbraw/zinc/43/16/01/708431601.db2.gz ODJLDBUZINXZGP-INIZCTEOSA-N 2 0 349.523 1.933 20 0 EDADRP Cc1ccccc1OCC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001033659164 708470185 /nfs/dbraw/zinc/47/01/85/708470185.db2.gz BSEFXCZBRLSHFV-ZWKOTPCHSA-N 2 0 345.487 1.858 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001033685090 708498852 /nfs/dbraw/zinc/49/88/52/708498852.db2.gz SNDUXTWGXFSFGT-CRAIPNDOSA-N 2 0 333.476 1.929 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001002044064 708534753 /nfs/dbraw/zinc/53/47/53/708534753.db2.gz XQFBQTXZCDNFDB-DOTOQJQBSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nnc([C@H](C)N2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002122165 708636435 /nfs/dbraw/zinc/63/64/35/708636435.db2.gz AEZNFCUNIDHQOJ-WFASDCNBSA-N 2 0 335.452 1.219 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCn2nc(C)cc2C)C1 ZINC001033778249 708706552 /nfs/dbraw/zinc/70/65/52/708706552.db2.gz YZFCFEKUIZSMBX-ROUUACIJSA-N 2 0 347.507 1.517 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033831464 708854064 /nfs/dbraw/zinc/85/40/64/708854064.db2.gz WLBOOAXKYXDSBW-MOPGFXCFSA-N 2 0 342.487 1.846 20 0 EDADRP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033955536 709137090 /nfs/dbraw/zinc/13/70/90/709137090.db2.gz ZPJUTKOQRUWSGH-IBGZPJMESA-N 2 0 347.503 1.974 20 0 EDADRP CCN(C(=O)c1cc(-n2ccnc2)ccn1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034008736 709219527 /nfs/dbraw/zinc/21/95/27/709219527.db2.gz BRYGHUNMLAGSRU-ZBFHGGJFSA-N 2 0 343.431 1.185 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001034018145 709235589 /nfs/dbraw/zinc/23/55/89/709235589.db2.gz XNQUEERWKXJCHJ-SJORKVTESA-N 2 0 335.492 1.574 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]([NH3+])CC(F)F)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702126422 709336898 /nfs/dbraw/zinc/33/68/98/709336898.db2.gz OXSQURKSNAXKAO-HDMKZQKVSA-N 2 0 337.414 1.949 20 0 EDADRP Cc1cc(NC[C@H]2C[N@H+](C)CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213662 709394436 /nfs/dbraw/zinc/39/44/36/709394436.db2.gz FFUWXJARPCYWHO-INIZCTEOSA-N 2 0 326.448 1.595 20 0 EDADRP CN1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147849 709418937 /nfs/dbraw/zinc/41/89/37/709418937.db2.gz CMWGIZBUNWGPMW-LSDHHAIUSA-N 2 0 345.434 1.333 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1)C1CCC1 ZINC001002835030 709450798 /nfs/dbraw/zinc/45/07/98/709450798.db2.gz WOHVAVXBFPMNPX-RBUKOAKNSA-N 2 0 349.519 1.724 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)CC[N@@H+]1C ZINC001002861412 709464764 /nfs/dbraw/zinc/46/47/64/709464764.db2.gz XRKNZFMKYQGWTL-DJIMGWMZSA-N 2 0 337.508 1.722 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)OC ZINC001002858824 709466749 /nfs/dbraw/zinc/46/67/49/709466749.db2.gz HLXTYQZBHLKZGL-YESZJQIVSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034248532 709609946 /nfs/dbraw/zinc/60/99/46/709609946.db2.gz DCLAALZUNJVFPD-SJORKVTESA-N 2 0 325.497 1.602 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)n2cnc(C)c2)C1 ZINC001034260854 709648049 /nfs/dbraw/zinc/64/80/49/709648049.db2.gz PRMLBHPTJMBXSB-CVEARBPZSA-N 2 0 336.480 1.932 20 0 EDADRP O=C(NC[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@]12CC[N@H+](C1)CCC2 ZINC000702623004 709688086 /nfs/dbraw/zinc/68/80/86/709688086.db2.gz ZMSNAFDOJMUINW-VQTJNVASSA-N 2 0 343.471 1.226 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](C[C@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC001034291219 709716526 /nfs/dbraw/zinc/71/65/26/709716526.db2.gz RNBLHMGHMJJENG-IAGOWNOFSA-N 2 0 335.492 1.622 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000702808701 709855762 /nfs/dbraw/zinc/85/57/62/709855762.db2.gz HXEBRWUUJNXBFB-GOEBONIOSA-N 2 0 341.496 1.677 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CN(C(C)C)CCO2)C1 ZINC001034362694 709879586 /nfs/dbraw/zinc/87/95/86/709879586.db2.gz IKJAZLFYEOBTQL-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](C[C@@H]3CCOC3)C2)C1 ZINC001034398641 709940134 /nfs/dbraw/zinc/94/01/34/709940134.db2.gz PBRVQIOSIJXHDJ-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034464057 710034484 /nfs/dbraw/zinc/03/44/84/710034484.db2.gz WOLDCILDXSRFPU-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001003147619 710046027 /nfs/dbraw/zinc/04/60/27/710046027.db2.gz WWATZSPNCBHJLG-ROUUACIJSA-N 2 0 345.491 1.481 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003160425 710069253 /nfs/dbraw/zinc/06/92/53/710069253.db2.gz PINJUHLDEPHZME-IAGOWNOFSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003161046 710070612 /nfs/dbraw/zinc/07/06/12/710070612.db2.gz RYTUOLVEOZBDBT-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC001034610687 710284785 /nfs/dbraw/zinc/28/47/85/710284785.db2.gz YQEDLOZDBRAPFN-ULQDDVLXSA-N 2 0 331.464 1.396 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001034648084 710325106 /nfs/dbraw/zinc/32/51/06/710325106.db2.gz XSFTUBJURPTDRS-DNNBLBMLSA-N 2 0 334.464 1.840 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648571 710325270 /nfs/dbraw/zinc/32/52/70/710325270.db2.gz MBKHOEBNVWZICK-MKXGPGLRSA-N 2 0 349.519 1.914 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1)C[NH+](C)C ZINC000922204477 710421121 /nfs/dbraw/zinc/42/11/21/710421121.db2.gz GLORQNUNGYPKIP-CVEARBPZSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC001003629017 710459050 /nfs/dbraw/zinc/45/90/50/710459050.db2.gz WWXHYOOWAHMPSP-QFBILLFUSA-N 2 0 345.487 1.785 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)O1 ZINC001003631200 710460380 /nfs/dbraw/zinc/46/03/80/710460380.db2.gz UENCHQJTXSBPDF-NVXWUHKLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003631922 710460802 /nfs/dbraw/zinc/46/08/02/710460802.db2.gz WTRXCHRVVLDWIB-ZFWWWQNUSA-N 2 0 345.434 1.333 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034659181 710588540 /nfs/dbraw/zinc/58/85/40/710588540.db2.gz OJDCVDYUKZEVIA-JFIYKMOQSA-N 2 0 347.507 1.812 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC001034673489 710611204 /nfs/dbraw/zinc/61/12/04/710611204.db2.gz BMYUMGCQXZUNAY-ULQDDVLXSA-N 2 0 345.491 1.786 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034693216 710783581 /nfs/dbraw/zinc/78/35/81/710783581.db2.gz CLDDFSDDVSUGQW-SYJBPTKTSA-N 2 0 347.503 1.667 20 0 EDADRP Cc1c(C(=O)N(C)C2CC[NH+](C[C@H](C)O)CC2)ccc2c[nH+]cn21 ZINC001005633577 710785611 /nfs/dbraw/zinc/78/56/11/710785611.db2.gz ZZYMUEGGGGEXFU-ZDUSSCGKSA-N 2 0 330.432 1.560 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734269 710915716 /nfs/dbraw/zinc/91/57/16/710915716.db2.gz LXWVXVZXBNFFHA-SDADXPQNSA-N 2 0 349.479 1.798 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2cnn(C)c2)CC1 ZINC001034734978 710918583 /nfs/dbraw/zinc/91/85/83/710918583.db2.gz CYFJTKJJULYCDS-SZMVWBNQSA-N 2 0 347.507 1.464 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC001034737008 710947737 /nfs/dbraw/zinc/94/77/37/710947737.db2.gz GNOYZZPCKKSYRM-MMTVNHQJSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034737239 710949258 /nfs/dbraw/zinc/94/92/58/710949258.db2.gz HRIBHXCJRXOUBG-VDHUWJSZSA-N 2 0 337.508 1.628 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001032958847 710980926 /nfs/dbraw/zinc/98/09/26/710980926.db2.gz BQIFOIOZSBUCDQ-WMZOPIPTSA-N 2 0 333.451 1.995 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034775839 711050350 /nfs/dbraw/zinc/05/03/50/711050350.db2.gz KEAURGCMPQZBGY-XSLAGTTESA-N 2 0 337.508 1.772 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC001034776434 711053253 /nfs/dbraw/zinc/05/32/53/711053253.db2.gz UCUANNBTYGVQSZ-YYIAUSFCSA-N 2 0 345.491 1.896 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001034777920 711057260 /nfs/dbraw/zinc/05/72/60/711057260.db2.gz MKPNVVMQZJRFLD-QBPKDAKJSA-N 2 0 335.492 1.667 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001034778368 711079519 /nfs/dbraw/zinc/07/95/19/711079519.db2.gz RRVLIHQFPRQLRU-BOSXTWCSSA-N 2 0 347.503 1.526 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034778567 711081622 /nfs/dbraw/zinc/08/16/22/711081622.db2.gz VUCIHHSFLBXVAR-SHTZXODSSA-N 2 0 332.448 1.596 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034792717 711120883 /nfs/dbraw/zinc/12/08/83/711120883.db2.gz MGMBRZOWASOBOD-MXAVVETBSA-N 2 0 335.452 1.408 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@@]23CCOC3)CC1 ZINC001034793452 711123680 /nfs/dbraw/zinc/12/36/80/711123680.db2.gz DZFNJQBLCMGVSG-LSTDLKDCSA-N 2 0 335.492 1.526 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCc2ccc(CNCc3cnon3)cc2)CC[N@@H+]1C ZINC001034818622 711205178 /nfs/dbraw/zinc/20/51/78/711205178.db2.gz LHAPUOOEDIEMES-CXAGYDPISA-N 2 0 343.431 1.316 20 0 EDADRP CN(C)c1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)ccn1 ZINC001034882343 711283563 /nfs/dbraw/zinc/28/35/63/711283563.db2.gz VCXGAVNYMIQZCY-IAGOWNOFSA-N 2 0 345.491 1.322 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034957055 711427993 /nfs/dbraw/zinc/42/79/93/711427993.db2.gz JACYXYLNEBJHNE-OAHLLOKOSA-N 2 0 334.464 1.856 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1)C1CCC1 ZINC001034957830 711430628 /nfs/dbraw/zinc/43/06/28/711430628.db2.gz KZGINAZWRWIEQC-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cccc3c1OCO3)C2 ZINC000922388180 711431386 /nfs/dbraw/zinc/43/13/86/711431386.db2.gz OYEBFLJALWKCIB-LTDCPUDJSA-N 2 0 332.444 1.985 20 0 EDADRP COc1cnc(F)c(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c1 ZINC000922390441 711454101 /nfs/dbraw/zinc/45/41/01/711454101.db2.gz MNYKWJRVIXYWNE-XLMAVXFVSA-N 2 0 337.439 1.799 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(Cl)n1C)C2 ZINC000922391161 711455604 /nfs/dbraw/zinc/45/56/04/711455604.db2.gz UELMTFOCULBYPR-NYTXWWLZSA-N 2 0 326.872 1.643 20 0 EDADRP O=C(N1CCC([C@H]2CCC[N@H+]2CCO)CC1)C12CCC[NH+](CCC1)C2 ZINC001004468994 711844952 /nfs/dbraw/zinc/84/49/52/711844952.db2.gz KKXSUVCXVCBYGK-GOSISDBHSA-N 2 0 349.519 1.558 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)[NH+](C)C ZINC001004474475 711851008 /nfs/dbraw/zinc/85/10/08/711851008.db2.gz OSPKZCFPWKJKQB-SJORKVTESA-N 2 0 325.497 1.412 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnon3)C[C@H]2CC1)C1CC1 ZINC000946623762 711924892 /nfs/dbraw/zinc/92/48/92/711924892.db2.gz PSMDPLDBPLPHLG-UXLLHSPISA-N 2 0 347.463 1.080 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033142328 711948116 /nfs/dbraw/zinc/94/81/16/711948116.db2.gz RKABYRSJPMEJPO-MOPGFXCFSA-N 2 0 349.519 1.963 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCO)CC2)CC1 ZINC001004587170 712021504 /nfs/dbraw/zinc/02/15/04/712021504.db2.gz XNHUWVOSCRJMNS-SFHVURJKSA-N 2 0 337.508 1.414 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1)[NH+](C)C ZINC000946633086 712053958 /nfs/dbraw/zinc/05/39/58/712053958.db2.gz HSNIELCGHPZULR-JZXOWHBKSA-N 2 0 348.491 1.931 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000557670597 306232762 /nfs/dbraw/zinc/23/27/62/306232762.db2.gz XFYCRBSYTUWQDO-SJLPKXTDSA-N 2 0 330.476 1.704 20 0 EDADRP Cc1c(F)cccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000558646184 306242032 /nfs/dbraw/zinc/24/20/32/306242032.db2.gz XQIOJRMGCKZSMP-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP CC[C@@]1(CO)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000187569234 529550181 /nfs/dbraw/zinc/55/01/81/529550181.db2.gz FGWGVBFCBLPALL-GOSISDBHSA-N 2 0 325.497 1.460 20 0 EDADRP CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cn1 ZINC000177825584 232004553 /nfs/dbraw/zinc/00/45/53/232004553.db2.gz RWBQEDNMMYIHEC-OAHLLOKOSA-N 2 0 328.464 1.901 20 0 EDADRP CCC1(O)CC[NH+](CCOCC[NH+]2CCC(O)(CC)CC2)CC1 ZINC000343734980 282526608 /nfs/dbraw/zinc/52/66/08/282526608.db2.gz FYLUXQUWWNBUKW-UHFFFAOYSA-N 2 0 328.497 1.477 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1cnc(C2CC2)s1)N1CC[NH2+]CC1 ZINC000560972332 306281355 /nfs/dbraw/zinc/28/13/55/306281355.db2.gz LCPVBAHSNZJPMI-LBPRGKRZSA-N 2 0 334.411 1.946 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NC[C@@H]2C[N@H+](C)CCN2C)([NH+](C)C)C1 ZINC000332826897 539607894 /nfs/dbraw/zinc/60/78/94/539607894.db2.gz LPGSWXAXPYZKMP-JFIYKMOQSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000412427696 304007394 /nfs/dbraw/zinc/00/73/94/304007394.db2.gz RDASEQZWMWZJDD-OWYHZJEWSA-N 2 0 343.471 1.296 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C(C)(C)C[NH+](C)C ZINC000458522764 299158713 /nfs/dbraw/zinc/15/87/13/299158713.db2.gz PPPITKOLZQLIPL-GJZGRUSLSA-N 2 0 328.501 1.109 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)C[C@@H](C)O1 ZINC000339233779 539701243 /nfs/dbraw/zinc/70/12/43/539701243.db2.gz KNRPOIQARUHHRA-BRWVUGGUSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000561978874 306291868 /nfs/dbraw/zinc/29/18/68/306291868.db2.gz NWWGSJNIRSXEPU-INIZCTEOSA-N 2 0 348.491 1.033 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)[N@H+](C)C1 ZINC000343728317 539795605 /nfs/dbraw/zinc/79/56/05/539795605.db2.gz UPPGQMLYHIGACN-ROUUACIJSA-N 2 0 331.460 1.270 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2[C@@H](C)CCC[C@@H]2C)C1 ZINC000104077635 219345377 /nfs/dbraw/zinc/34/53/77/219345377.db2.gz RRICOHJNAPENHO-YESZJQIVSA-N 2 0 325.497 1.722 20 0 EDADRP O=c1cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)nc2ccccn12 ZINC000069029621 215353558 /nfs/dbraw/zinc/35/35/58/215353558.db2.gz DSVDDGLWTKVAHE-UHFFFAOYSA-N 2 0 342.443 1.239 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000562789235 306309008 /nfs/dbraw/zinc/30/90/08/306309008.db2.gz FNCBYMZEQDBKEE-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)N[C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)C1 ZINC000562789701 306308964 /nfs/dbraw/zinc/30/89/64/306308964.db2.gz OJQFNJMBSPYAOG-WQANXHIZSA-N 2 0 342.487 1.936 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562808746 306309923 /nfs/dbraw/zinc/30/99/23/306309923.db2.gz QAWFBESCYBAJHN-JKSUJKDBSA-N 2 0 331.464 1.725 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCOCC1 ZINC000563271313 306325722 /nfs/dbraw/zinc/32/57/22/306325722.db2.gz PQOCHOXGCUOEOE-SFHVURJKSA-N 2 0 343.471 1.403 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000348586150 283087022 /nfs/dbraw/zinc/08/70/22/283087022.db2.gz DTFVBXYTKCBVMS-SQNIBIBYSA-N 2 0 335.492 1.715 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C)CC2)[C@@H]1c1ccc(F)cc1 ZINC000371107513 283125317 /nfs/dbraw/zinc/12/53/17/283125317.db2.gz FOYGYBLVPYHFLQ-IRXDYDNUSA-N 2 0 334.439 1.964 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000360169056 283165879 /nfs/dbraw/zinc/16/58/79/283165879.db2.gz CHCPLIVLAVXZHB-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP Cn1ncc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])c1-c1ccccc1 ZINC000563497846 306335686 /nfs/dbraw/zinc/33/56/86/306335686.db2.gz KNMOHYBLKOCMLC-AWEZNQCLSA-N 2 0 328.420 1.194 20 0 EDADRP C[C@H]1C[C@H](C)CN(C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)C1 ZINC000344009557 291111448 /nfs/dbraw/zinc/11/14/48/291111448.db2.gz BAONBTUPUJLSDU-IRXDYDNUSA-N 2 0 326.529 1.306 20 0 EDADRP CCN(CC)C(=O)CN1CCCN(c2ccnc(C(C)C)n2)CC1 ZINC000110128058 138306878 /nfs/dbraw/zinc/30/68/78/138306878.db2.gz CURLGYVDWIQCAA-UHFFFAOYSA-N 2 0 333.480 1.981 20 0 EDADRP CC[C@H](C(=O)NC[C@](C)(NC(=O)[C@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000413458297 304061175 /nfs/dbraw/zinc/06/11/75/304061175.db2.gz WBTASHNZNPXBHY-VKJFTORMSA-N 2 0 342.528 1.314 20 0 EDADRP CN(C)C(=O)CN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000133475584 138394028 /nfs/dbraw/zinc/39/40/28/138394028.db2.gz RLVOOSFPTFBSSN-QGZVFWFLSA-N 2 0 345.491 1.004 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2ccsc2)CC1 ZINC000133852377 138398974 /nfs/dbraw/zinc/39/89/74/138398974.db2.gz OIGUJOSUZOZRAZ-HNNXBMFYSA-N 2 0 339.530 1.924 20 0 EDADRP Cc1ccc(CNC(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1 ZINC000563670288 306344483 /nfs/dbraw/zinc/34/44/83/306344483.db2.gz MNFWBWADYWSYST-RBUKOAKNSA-N 2 0 345.487 1.830 20 0 EDADRP CN1c2ccc(C[NH2+]CCN3CCC([NH+](C)C)CC3)cc2CCC1=O ZINC000187281043 236166703 /nfs/dbraw/zinc/16/67/03/236166703.db2.gz ISUNPXCVKIOIBL-UHFFFAOYSA-N 2 0 344.503 1.711 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000564326355 306358403 /nfs/dbraw/zinc/35/84/03/306358403.db2.gz LCGZTSMAWZMEKB-RCCFBDPRSA-N 2 0 328.460 1.504 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000267279398 299284055 /nfs/dbraw/zinc/28/40/55/299284055.db2.gz UYAUYGLAWVANSQ-HKUYNNGSSA-N 2 0 347.503 1.495 20 0 EDADRP CC1CC[NH+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564722361 306363661 /nfs/dbraw/zinc/36/36/61/306363661.db2.gz KWTPISDPNJTWAE-QRVBRYPASA-N 2 0 341.540 1.558 20 0 EDADRP COC(=O)[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@H+](C)C1 ZINC000413902432 304086824 /nfs/dbraw/zinc/08/68/24/304086824.db2.gz NMODQOHREMCHLD-HNNXBMFYSA-N 2 0 339.480 1.062 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000564849608 306367422 /nfs/dbraw/zinc/36/74/22/306367422.db2.gz NJUXRMANWMKZEX-MAUKXSAKSA-N 2 0 337.464 1.300 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000564944626 306370877 /nfs/dbraw/zinc/37/08/77/306370877.db2.gz XWNMJIHTWHQMLY-KRWDZBQOSA-N 2 0 344.459 1.394 20 0 EDADRP COC(=O)c1cnc([C@H](C)NCCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000414156255 304103375 /nfs/dbraw/zinc/10/33/75/304103375.db2.gz UNGOVULTKKMKAR-LBPRGKRZSA-N 2 0 340.493 1.606 20 0 EDADRP O[C@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc2c(c1)OCO2 ZINC000565594011 306387523 /nfs/dbraw/zinc/38/75/23/306387523.db2.gz IIJOYJAJAOKAGZ-MRXNPFEDSA-N 2 0 348.443 1.619 20 0 EDADRP COc1ccsc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414487390 304119092 /nfs/dbraw/zinc/11/90/92/304119092.db2.gz RZRMYTBKSAJHMR-UHFFFAOYSA-N 2 0 339.505 1.643 20 0 EDADRP CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CS1 ZINC000414488473 304119111 /nfs/dbraw/zinc/11/91/11/304119111.db2.gz UIJAWWAMJDMROJ-DLBZAZTESA-N 2 0 341.565 1.903 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000566294628 306407434 /nfs/dbraw/zinc/40/74/34/306407434.db2.gz ATFCLVJWYWZEJW-OAHLLOKOSA-N 2 0 343.537 1.275 20 0 EDADRP CC(C)C[C@@H]([NH3+])CN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000414694349 304128448 /nfs/dbraw/zinc/12/84/48/304128448.db2.gz NGBFLZYHNURSCA-QZTJIDSGSA-N 2 0 326.529 1.087 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000414699519 304129437 /nfs/dbraw/zinc/12/94/37/304129437.db2.gz INRZOKYIPHIIKJ-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712684 304131537 /nfs/dbraw/zinc/13/15/37/304131537.db2.gz NVWMXZVHTLOCOD-IEBWSBKVSA-N 2 0 345.487 1.457 20 0 EDADRP CC[N@@H+](Cc1ccc(OC)cc1OC)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414732372 304134230 /nfs/dbraw/zinc/13/42/30/304134230.db2.gz AAMLGWDWBUKOPK-OAHLLOKOSA-N 2 0 349.475 1.723 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000414742891 304135994 /nfs/dbraw/zinc/13/59/94/304135994.db2.gz UPUNVZJTDCHSAP-HNNXBMFYSA-N 2 0 347.463 1.020 20 0 EDADRP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750096 304137123 /nfs/dbraw/zinc/13/71/23/304137123.db2.gz ZIVOCFIGXYTDME-ROUUACIJSA-N 2 0 344.503 1.785 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000414756958 304137528 /nfs/dbraw/zinc/13/75/28/304137528.db2.gz WGSNTOCHBLTMHI-OAHLLOKOSA-N 2 0 333.480 1.996 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCCN2CC[NH2+]CC2)CC1 ZINC000414778704 304139762 /nfs/dbraw/zinc/13/97/62/304139762.db2.gz IKNUSRSFDCDRTB-UHFFFAOYSA-N 3 0 345.535 1.213 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1OC ZINC000414838439 304146621 /nfs/dbraw/zinc/14/66/21/304146621.db2.gz WSXYWKVHUOXCBR-HNNXBMFYSA-N 2 0 335.448 1.299 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH2+]C)[NH+](C)C ZINC000414842452 304146799 /nfs/dbraw/zinc/14/67/99/304146799.db2.gz MZBICEYKDBTTJY-KRWDZBQOSA-N 2 0 348.491 1.827 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000414991024 304148870 /nfs/dbraw/zinc/14/88/70/304148870.db2.gz PWYUAMOZKFKQTN-WFEDQXDTSA-N 3 0 336.524 1.534 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000414998927 304149768 /nfs/dbraw/zinc/14/97/68/304149768.db2.gz ZYAYBUTXSKWWBP-HZPDHXFCSA-N 2 0 327.394 1.970 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000415028660 304152209 /nfs/dbraw/zinc/15/22/09/304152209.db2.gz CXCBBAHLPOIOOV-DUVNUKRYSA-N 2 0 330.432 1.197 20 0 EDADRP CCOc1cc(CN(C)C[C@@H](O)C[NH3+])cc(Br)c1OC ZINC000415055409 304155191 /nfs/dbraw/zinc/15/51/91/304155191.db2.gz MWUGUALLTJVUAD-NSHDSACASA-N 2 0 347.253 1.608 20 0 EDADRP COC(=O)[C@@]12CCC[C@H]1C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000375595589 284240251 /nfs/dbraw/zinc/24/02/51/284240251.db2.gz FNPXHRKYIDSDTR-PKOBYXMFSA-N 2 0 337.508 1.678 20 0 EDADRP NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000415100187 304159970 /nfs/dbraw/zinc/15/99/70/304159970.db2.gz HQTCSZGNGMPPQG-LEUOFYLZSA-N 2 0 333.451 1.980 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000195146133 139007843 /nfs/dbraw/zinc/00/78/43/139007843.db2.gz VBIZLDBQBZBSLU-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000236599461 139026774 /nfs/dbraw/zinc/02/67/74/139026774.db2.gz MXOCOYSQRVVRIV-TWMKSMIVSA-N 2 0 327.513 1.952 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[NH+]1CCCCC1 ZINC000236660016 139027773 /nfs/dbraw/zinc/02/77/73/139027773.db2.gz WAEZAIJTPUCHGV-KRWDZBQOSA-N 2 0 325.497 1.853 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000236701732 139029105 /nfs/dbraw/zinc/02/91/05/139029105.db2.gz AHHBCCCKMXAZLD-MRXNPFEDSA-N 2 0 347.507 1.473 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000237195102 139043544 /nfs/dbraw/zinc/04/35/44/139043544.db2.gz BQDVBIKQJJCQJC-HNNXBMFYSA-N 2 0 325.497 1.629 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000237192711 139043556 /nfs/dbraw/zinc/04/35/56/139043556.db2.gz SKFDSISPTBJSML-SFHVURJKSA-N 2 0 331.460 1.345 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000237299740 139046932 /nfs/dbraw/zinc/04/69/32/139046932.db2.gz XQYQENVIKVVTKM-KRWDZBQOSA-N 2 0 332.492 1.118 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000237303515 139047159 /nfs/dbraw/zinc/04/71/59/139047159.db2.gz KUPNFCJTNIMWLF-DZKIICNBSA-N 2 0 343.537 1.415 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567462562 306452955 /nfs/dbraw/zinc/45/29/55/306452955.db2.gz OLACORNWFKMKME-RDBSUJKOSA-N 2 0 343.518 1.476 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631868 139056466 /nfs/dbraw/zinc/05/64/66/139056466.db2.gz ADGULIBNJCPSSE-GQIGUUNPSA-N 2 0 345.487 1.912 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000238050004 139067659 /nfs/dbraw/zinc/06/76/59/139067659.db2.gz WBEAMQVLHGOZBF-OAHLLOKOSA-N 2 0 325.522 1.995 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415239268 304177606 /nfs/dbraw/zinc/17/76/06/304177606.db2.gz NVEUZJBRNFODKD-KGLIPLIRSA-N 2 0 334.464 1.881 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000415289721 304186776 /nfs/dbraw/zinc/18/67/76/304186776.db2.gz DJRPZUHRERHWBQ-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000246297357 139102979 /nfs/dbraw/zinc/10/29/79/139102979.db2.gz BRKJZJLSSFZAEP-ZWKOTPCHSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000246501975 139111136 /nfs/dbraw/zinc/11/11/36/139111136.db2.gz SPKCGVHEKPPAIU-MBNYWOFBSA-N 2 0 345.534 1.653 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000179853700 299466500 /nfs/dbraw/zinc/46/65/00/299466500.db2.gz ISVHQKRNOIUARZ-MAUKXSAKSA-N 2 0 333.476 1.280 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000246709250 139118038 /nfs/dbraw/zinc/11/80/38/139118038.db2.gz ZJSCLJNZKWALDP-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246808475 139122375 /nfs/dbraw/zinc/12/23/75/139122375.db2.gz FCGLRTUOBLIUSA-PKOBYXMFSA-N 2 0 348.487 1.990 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCC[NH2+]C3)ccc21 ZINC000415314527 304192528 /nfs/dbraw/zinc/19/25/28/304192528.db2.gz KBITXSKSBLHTRK-GOEBONIOSA-N 2 0 330.432 1.042 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118102 139136446 /nfs/dbraw/zinc/13/64/46/139136446.db2.gz FMYIXEDNQCQMFJ-SJLPKXTDSA-N 2 0 334.460 1.903 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415379772 304209361 /nfs/dbraw/zinc/20/93/61/304209361.db2.gz OQLUSGWHZIKSJH-KRWDZBQOSA-N 2 0 344.459 1.132 20 0 EDADRP COc1ccccc1CCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248119440 139158391 /nfs/dbraw/zinc/15/83/91/139158391.db2.gz NDZHKMFXAMATNA-QZTJIDSGSA-N 2 0 345.487 1.770 20 0 EDADRP CCCN(C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1)[C@@H]1CC[NH2+]C1 ZINC000415397491 304213415 /nfs/dbraw/zinc/21/34/15/304213415.db2.gz VRRNZLFBSNOARX-QGZVFWFLSA-N 2 0 346.475 1.596 20 0 EDADRP Cc1nccc(N2CCN(C(=O)[C@H](C)[NH+]3[C@H](C)CC[C@H]3C)CC2)n1 ZINC000248759787 139174557 /nfs/dbraw/zinc/17/45/57/139174557.db2.gz XLFVRVPKLDZDSV-KFWWJZLASA-N 2 0 331.464 1.695 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342895427 284756832 /nfs/dbraw/zinc/75/68/32/284756832.db2.gz CGTPVOZMUQBHBS-AWEZNQCLSA-N 2 0 340.512 1.212 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[C@H]2CCC[NH2+]C2)ccc1C[NH+](C)C ZINC000415417277 304218705 /nfs/dbraw/zinc/21/87/05/304218705.db2.gz VKZAHLKNBZDLKR-OAHLLOKOSA-N 2 0 346.475 1.501 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCc2ccccc2CN2CCOCC2)C1 ZINC000261603949 139209872 /nfs/dbraw/zinc/20/98/72/139209872.db2.gz CEIFAGOHSQKSOJ-MAUKXSAKSA-N 2 0 331.460 1.523 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)cc2)C1 ZINC000261633975 139213038 /nfs/dbraw/zinc/21/30/38/139213038.db2.gz CIXLPJYQDAASBA-CYBMUJFWSA-N 2 0 327.375 1.575 20 0 EDADRP COc1cccc([C@H](CNC(=O)COC2CC[NH2+]CC2)[NH+](C)C)c1 ZINC000261711844 139219618 /nfs/dbraw/zinc/21/96/18/139219618.db2.gz PTTPQBBVCGKUPD-KRWDZBQOSA-N 2 0 335.448 1.183 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1)C1CCOCC1 ZINC000261698977 139218629 /nfs/dbraw/zinc/21/86/29/139218629.db2.gz IADOYURCKITIFW-ZBFHGGJFSA-N 2 0 337.489 1.755 20 0 EDADRP CCN(CC(=O)Nc1ccc2c(c1)OCCO2)C[C@]1(C)CC[NH2+]C1 ZINC000261876213 139233248 /nfs/dbraw/zinc/23/32/48/139233248.db2.gz PXTWDDQOBPVZJH-GOSISDBHSA-N 2 0 333.432 1.718 20 0 EDADRP COc1cc(CNC(=O)CC[C@H]2CC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000261888337 139234204 /nfs/dbraw/zinc/23/42/04/139234204.db2.gz SUSYSEKELJGVMB-HNNXBMFYSA-N 2 0 349.475 1.642 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[NH+](C)C)cc1 ZINC000261928247 139237862 /nfs/dbraw/zinc/23/78/62/139237862.db2.gz ZONPLAABPVXJDD-QZTJIDSGSA-N 2 0 333.476 1.722 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000261921908 139237136 /nfs/dbraw/zinc/23/71/36/139237136.db2.gz RPMLICGBOWNZBI-GUYCJALGSA-N 2 0 326.444 1.638 20 0 EDADRP CC1CCC(OC2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)CC1 ZINC000261964536 139240384 /nfs/dbraw/zinc/24/03/84/139240384.db2.gz AUXPWKVNTKSRIA-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000262031928 139245222 /nfs/dbraw/zinc/24/52/22/139245222.db2.gz XQIAVAKWNAUKRX-GVDBMIGSSA-N 2 0 347.459 1.631 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000262035828 139245538 /nfs/dbraw/zinc/24/55/38/139245538.db2.gz XSARFHWIQCNARA-MRXNPFEDSA-N 2 0 349.450 1.868 20 0 EDADRP [NH3+][C@@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046401 139246436 /nfs/dbraw/zinc/24/64/36/139246436.db2.gz QPFZBCRMXDCLEG-KBPBESRZSA-N 2 0 344.381 1.029 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415512975 304225573 /nfs/dbraw/zinc/22/55/73/304225573.db2.gz VXSYCNLZGUKFLP-AWEZNQCLSA-N 2 0 332.448 1.322 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc2c(c1)OCCO2 ZINC000262112393 139251871 /nfs/dbraw/zinc/25/18/71/139251871.db2.gz WOCSCBCQBSHXSZ-OAHLLOKOSA-N 2 0 333.432 1.277 20 0 EDADRP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262110091 139251634 /nfs/dbraw/zinc/25/16/34/139251634.db2.gz KEKLWSWIMGTDBV-UYAOXDASSA-N 2 0 345.487 1.724 20 0 EDADRP COc1cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000262141092 139254458 /nfs/dbraw/zinc/25/44/58/139254458.db2.gz ZCHSFKBGALTYDY-OAHLLOKOSA-N 2 0 335.448 1.523 20 0 EDADRP [NH3+]CC1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000262238791 139262706 /nfs/dbraw/zinc/26/27/06/139262706.db2.gz KTMXLIJNSJYYJW-UHFFFAOYSA-N 2 0 345.487 1.770 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH3+] ZINC000417020540 251137333 /nfs/dbraw/zinc/13/73/33/251137333.db2.gz MIDUHDZQNIGBFF-SJLPKXTDSA-N 2 0 345.491 1.187 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417012432 251130898 /nfs/dbraw/zinc/13/08/98/251130898.db2.gz AMPDAVIMYACXCN-HKUYNNGSSA-N 2 0 342.487 1.686 20 0 EDADRP COCC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000262320105 139269789 /nfs/dbraw/zinc/26/97/89/139269789.db2.gz CHIILIGSPFOTKX-SFHVURJKSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417013588 251132974 /nfs/dbraw/zinc/13/29/74/251132974.db2.gz YUCLVOWXZCEZSG-RDJZCZTQSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417015107 251133001 /nfs/dbraw/zinc/13/30/01/251133001.db2.gz DZNKUVKVPLUFNB-YJBOKZPZSA-N 2 0 330.476 1.875 20 0 EDADRP CC[C@H](CNC(=O)N1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417021607 251136143 /nfs/dbraw/zinc/13/61/43/251136143.db2.gz UIGNVDLQRLIKQG-QZTJIDSGSA-N 2 0 330.476 1.956 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417089887 251140594 /nfs/dbraw/zinc/14/05/94/251140594.db2.gz SGWMYQDQAVFFEU-CEXWTWQISA-N 2 0 342.487 1.902 20 0 EDADRP [NH3+]C[C@@H](NC(=O)C1(C[NH3+])CCOCC1)c1ccc2ccccc2c1 ZINC000262331960 139270895 /nfs/dbraw/zinc/27/08/95/139270895.db2.gz SHYAPYHOCANBEZ-QGZVFWFLSA-N 2 0 327.428 1.711 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417321958 251159806 /nfs/dbraw/zinc/15/98/06/251159806.db2.gz DRPPQGBUQRJXFC-YQQAZPJKSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000417522632 251182994 /nfs/dbraw/zinc/18/29/94/251182994.db2.gz AHQIMVBTHNWTLC-QGZVFWFLSA-N 2 0 347.507 1.183 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NC(C)(C)C[NH3+])CCCC2)CC1 ZINC000417542939 251184372 /nfs/dbraw/zinc/18/43/72/251184372.db2.gz FHZAIMSTCJVDLE-UHFFFAOYSA-N 2 0 326.485 1.447 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417556628 251186937 /nfs/dbraw/zinc/18/69/37/251186937.db2.gz PAPQWJLCNSKUNP-ZIAGYGMSSA-N 2 0 332.439 1.937 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)c2ccccc2)CC1 ZINC000262386256 139275197 /nfs/dbraw/zinc/27/51/97/139275197.db2.gz NQRTYNDRAIRNKZ-OALUTQOASA-N 2 0 345.487 1.954 20 0 EDADRP CC(C)(C[NH3+])NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417597581 251201715 /nfs/dbraw/zinc/20/17/15/251201715.db2.gz UMLDJUKENMQWHN-UHFFFAOYSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262456764 139280258 /nfs/dbraw/zinc/28/02/58/139280258.db2.gz IESUYVWFLIYKIN-RLFYNMQTSA-N 2 0 333.476 1.532 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)C1 ZINC000417719164 251241261 /nfs/dbraw/zinc/24/12/61/251241261.db2.gz WLPLUCZMXNLZQD-QZTJIDSGSA-N 2 0 348.491 1.830 20 0 EDADRP CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]CC1 ZINC000417729766 251246950 /nfs/dbraw/zinc/24/69/50/251246950.db2.gz CNGJRSWWRGKWPU-GOSISDBHSA-N 2 0 344.503 1.869 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417833762 251290922 /nfs/dbraw/zinc/29/09/22/251290922.db2.gz URDZFLWFRIUCIZ-ZTFGCOKTSA-N 2 0 330.476 1.934 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000417835399 251290938 /nfs/dbraw/zinc/29/09/38/251290938.db2.gz VZNGRJUJLVNDEG-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417838415 251292369 /nfs/dbraw/zinc/29/23/69/251292369.db2.gz JCNKRFYDKXWOBW-OAHLLOKOSA-N 2 0 326.485 1.258 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccc3c(c2)CCCN3)CC1 ZINC000417846450 251296207 /nfs/dbraw/zinc/29/62/07/251296207.db2.gz JHWBRAPCPWCILT-UHFFFAOYSA-N 2 0 330.476 1.864 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417811201 251279321 /nfs/dbraw/zinc/27/93/21/251279321.db2.gz OKYFPWFZOYWZAP-INIZCTEOSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC000417944571 251317593 /nfs/dbraw/zinc/31/75/93/251317593.db2.gz CMOYQQDUYUHIHX-KCPJHIHWSA-N 2 0 340.855 1.358 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108805 251324188 /nfs/dbraw/zinc/32/41/88/251324188.db2.gz SDWSEUOWZAPNJJ-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000418429689 251368457 /nfs/dbraw/zinc/36/84/57/251368457.db2.gz SKRBEXLHQAJWBK-MRXNPFEDSA-N 2 0 342.528 1.892 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418426400 251368542 /nfs/dbraw/zinc/36/85/42/251368542.db2.gz LWLGGXLKWBRLIL-KURKYZTESA-N 2 0 348.491 1.294 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)C1 ZINC000418166841 251350947 /nfs/dbraw/zinc/35/09/47/251350947.db2.gz KCKBSFBAGUYUHD-INIZCTEOSA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH2+]CCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318285 251359742 /nfs/dbraw/zinc/35/97/42/251359742.db2.gz OXNNOJFOUVNPGZ-ZWKOTPCHSA-N 2 0 330.476 1.759 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262553141 139286146 /nfs/dbraw/zinc/28/61/46/139286146.db2.gz ZQWJJYVXKQVGPS-QWHCGFSZSA-N 2 0 347.463 1.824 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418686280 251385999 /nfs/dbraw/zinc/38/59/99/251385999.db2.gz OLYIZDYXYRJMGN-ZWKOTPCHSA-N 2 0 330.476 1.725 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000262659899 139294015 /nfs/dbraw/zinc/29/40/15/139294015.db2.gz XFQZXHWWDBRAMR-LNLFQRSKSA-N 2 0 345.487 1.893 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000262660029 139294088 /nfs/dbraw/zinc/29/40/88/139294088.db2.gz FXKNUFDATDTQLG-WMLDXEAASA-N 2 0 331.460 1.387 20 0 EDADRP C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000262665940 139294540 /nfs/dbraw/zinc/29/45/40/139294540.db2.gz JQWBDHQJBFHYTR-VQIMIIECSA-N 2 0 345.487 1.893 20 0 EDADRP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000262648060 139293041 /nfs/dbraw/zinc/29/30/41/139293041.db2.gz POJYULKXRLXLKM-RYRKJORJSA-N 2 0 332.492 1.322 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262717005 139298516 /nfs/dbraw/zinc/29/85/16/139298516.db2.gz VWWZJRYXRVGKRX-IBGZPJMESA-N 2 0 332.492 1.832 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CN[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000422890246 252013550 /nfs/dbraw/zinc/01/35/50/252013550.db2.gz HZBDOSIGGRXRAL-FXAWDEMLSA-N 2 0 330.520 1.912 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CSCCN1Cc1ccccc1 ZINC000423070979 252033343 /nfs/dbraw/zinc/03/33/43/252033343.db2.gz DSLVTIDDMVNAQH-ZWKOTPCHSA-N 2 0 337.533 1.948 20 0 EDADRP COc1ccc([C@H](NC[C@@H]2CCCC[N@@H+]2CCO)[C@H]2CCC[NH2+]2)cc1 ZINC000423148825 252038193 /nfs/dbraw/zinc/03/81/93/252038193.db2.gz WOXMXSNBXXHEOV-SXLOBPIMSA-N 2 0 347.503 1.925 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000423177293 252042998 /nfs/dbraw/zinc/04/29/98/252042998.db2.gz HAXXLOAHLCCSFN-MRXNPFEDSA-N 2 0 340.512 1.009 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423351586 252048787 /nfs/dbraw/zinc/04/87/87/252048787.db2.gz ZFVTVBMFPZCBEM-DOMZBBRYSA-N 2 0 342.281 1.979 20 0 EDADRP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[NH+]1CCC(C)CC1 ZINC000423357497 252052205 /nfs/dbraw/zinc/05/22/05/252052205.db2.gz MCXPWOKTHCEERK-DOTOQJQBSA-N 2 0 333.480 1.658 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423485149 252055244 /nfs/dbraw/zinc/05/52/44/252055244.db2.gz AMQFLVOXAIWWEE-KCQAQPDRSA-N 2 0 325.478 1.715 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000423774767 252069825 /nfs/dbraw/zinc/06/98/25/252069825.db2.gz BXCXGZHSJJENBE-OAHLLOKOSA-N 2 0 336.484 1.224 20 0 EDADRP COCC[C@]1(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)CC[NH2+]C1 ZINC000424004476 252111928 /nfs/dbraw/zinc/11/19/28/252111928.db2.gz AXGUTEPKDXRXAR-LZLYRXPVSA-N 2 0 335.423 1.095 20 0 EDADRP COc1cccc2c1CCN(C(=O)CCC[NH+]1CCC([NH3+])CC1)CC2 ZINC000423786224 252074153 /nfs/dbraw/zinc/07/41/53/252074153.db2.gz UXHIKORFQJNROA-UHFFFAOYSA-N 2 0 345.487 1.826 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)[C@@H](C)[NH3+] ZINC000423791138 252075870 /nfs/dbraw/zinc/07/58/70/252075870.db2.gz GYDNUUWLQHMGBF-NJAFHUGGSA-N 2 0 332.492 1.981 20 0 EDADRP C[N@H+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)Cc1ccccc1 ZINC000424155639 252146708 /nfs/dbraw/zinc/14/67/08/252146708.db2.gz NGGPLGLHAREMOU-MRXNPFEDSA-N 2 0 342.447 1.064 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424160829 252149711 /nfs/dbraw/zinc/14/97/11/252149711.db2.gz VCBPJVPQHYSKFX-CQSZACIVSA-N 2 0 349.479 1.107 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cn[nH]c1[C@H]1CCC[NH2+]C1 ZINC000424181141 252154676 /nfs/dbraw/zinc/15/46/76/252154676.db2.gz WYJZZLZLGRRFBG-LBPRGKRZSA-N 2 0 343.406 1.914 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220694 252167924 /nfs/dbraw/zinc/16/79/24/252167924.db2.gz FLHQKJCGKCXVOM-IRXDYDNUSA-N 2 0 345.491 1.948 20 0 EDADRP Cc1c(C(=O)Nc2cc(C)cc(C[NH3+])c2)nnn1C1CC[NH2+]CC1 ZINC000424250076 252178606 /nfs/dbraw/zinc/17/86/06/252178606.db2.gz WRFUUICQCJPPHM-UHFFFAOYSA-N 2 0 328.420 1.530 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424289092 252190370 /nfs/dbraw/zinc/19/03/70/252190370.db2.gz LMDFWVZHUYXPDI-AWEZNQCLSA-N 2 0 333.480 1.818 20 0 EDADRP COCc1ccc(CNC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424301715 252191911 /nfs/dbraw/zinc/19/19/11/252191911.db2.gz YDOBZSVKQCXWRM-MRXNPFEDSA-N 2 0 345.487 1.913 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424466691 252241136 /nfs/dbraw/zinc/24/11/36/252241136.db2.gz LSZRMNMNKRYLMM-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475021 252244095 /nfs/dbraw/zinc/24/40/95/252244095.db2.gz YJOBUWOBBMBQOG-AWEZNQCLSA-N 2 0 334.464 1.629 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000111865162 285022089 /nfs/dbraw/zinc/02/20/89/285022089.db2.gz IEYMBNFBFHQOSP-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469766 285055201 /nfs/dbraw/zinc/05/52/01/285055201.db2.gz NKZFCLUVFBWAIO-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265524406 285058700 /nfs/dbraw/zinc/05/87/00/285058700.db2.gz IGWJEYZUALGGOD-ZWKOTPCHSA-N 2 0 348.491 1.618 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415671695 304253053 /nfs/dbraw/zinc/25/30/53/304253053.db2.gz JRXDXIYKKAUWCB-ZLIFDBKOSA-N 2 0 344.459 1.431 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354985840 285201187 /nfs/dbraw/zinc/20/11/87/285201187.db2.gz UBXYOEWHIHTCRG-AEFFLSMTSA-N 2 0 336.524 1.488 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000263696173 139353614 /nfs/dbraw/zinc/35/36/14/139353614.db2.gz AKMHKVYRTBZECR-ZDUSSCGKSA-N 2 0 328.482 1.228 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccccc2Br)CC1 ZINC000570322202 306537415 /nfs/dbraw/zinc/53/74/15/306537415.db2.gz DGMXDQFVHCXLAS-AWEZNQCLSA-N 2 0 342.281 1.147 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471642755 255015110 /nfs/dbraw/zinc/01/51/10/255015110.db2.gz DOQDYIULIHXETQ-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000487277492 255028678 /nfs/dbraw/zinc/02/86/78/255028678.db2.gz GGEWPRXOCWCAGU-HOSILWTGSA-N 2 0 339.480 1.974 20 0 EDADRP CCn1cc([C@@H]2NC(=O)CC[C@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000488506055 255044834 /nfs/dbraw/zinc/04/48/34/255044834.db2.gz SDQXNTCKJJYYDE-AEFFLSMTSA-N 2 0 333.480 1.685 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757189 285245933 /nfs/dbraw/zinc/24/59/33/285245933.db2.gz MHNXJFMMRWZZQH-JKSUJKDBSA-N 2 0 335.496 1.398 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](OC)C1 ZINC000249015605 285246065 /nfs/dbraw/zinc/24/60/65/285246065.db2.gz JHFLVELHHJSODI-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000491890663 255154178 /nfs/dbraw/zinc/15/41/78/255154178.db2.gz HSBMGVPVBYZKIZ-AATRIKPKSA-N 2 0 325.403 1.973 20 0 EDADRP C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000496223901 255366649 /nfs/dbraw/zinc/36/66/49/255366649.db2.gz GPHAUTMLYDSVOC-DYVFJYSZSA-N 2 0 331.501 1.828 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000415799294 304273838 /nfs/dbraw/zinc/27/38/38/304273838.db2.gz CANWMWOUHHJBAE-MRXNPFEDSA-N 2 0 346.475 1.378 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[NH+](C3CCOCC3)CC2)CCCCCC1 ZINC000570428211 306542098 /nfs/dbraw/zinc/54/20/98/306542098.db2.gz PAGAJIQHUKWVPO-UHFFFAOYSA-N 2 0 338.496 1.544 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959097 285278494 /nfs/dbraw/zinc/27/84/94/285278494.db2.gz UETHYTCTTWXEPB-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000154997170 224340597 /nfs/dbraw/zinc/34/05/97/224340597.db2.gz VLXXHUTUTVUGSG-HZPDHXFCSA-N 2 0 346.475 1.930 20 0 EDADRP C[NH+]1CCC(CCO)(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000416190994 304295164 /nfs/dbraw/zinc/29/51/64/304295164.db2.gz NWNADRSRIGFYTD-UHFFFAOYSA-N 2 0 345.487 1.398 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000571529527 306567988 /nfs/dbraw/zinc/56/79/88/306567988.db2.gz MCGJPPFQJDAHJL-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP Cc1ccc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1O ZINC000271367188 140286116 /nfs/dbraw/zinc/28/61/16/140286116.db2.gz HGCKZDIVRDIJAG-UHFFFAOYSA-N 2 0 335.492 1.975 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000572118403 306581803 /nfs/dbraw/zinc/58/18/03/306581803.db2.gz BZKNNZOHBNRQHZ-UHFFFAOYSA-N 2 0 334.464 1.445 20 0 EDADRP C[C@H](c1cccnc1)N1CCN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000332523241 141195785 /nfs/dbraw/zinc/19/57/85/141195785.db2.gz AVWDIJPVTFGGOS-BFYDXBDKSA-N 2 0 331.464 1.610 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332556768 141202554 /nfs/dbraw/zinc/20/25/54/141202554.db2.gz SDPSZSOTSJLXNP-NKKGCODLSA-N 2 0 334.439 1.792 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000333143006 141271335 /nfs/dbraw/zinc/27/13/35/141271335.db2.gz JQQNEQHANJBHCC-RDTXWAMCSA-N 2 0 345.491 1.866 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000333177505 141276272 /nfs/dbraw/zinc/27/62/72/141276272.db2.gz PBGXWPNXFLKQEH-HNNXBMFYSA-N 2 0 331.464 1.572 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000333457668 141320228 /nfs/dbraw/zinc/32/02/28/141320228.db2.gz YNLDSLIALMMFNM-JKSUJKDBSA-N 2 0 338.496 1.543 20 0 EDADRP C[C@H](C(=O)N1CCC(C)CC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333623401 141346387 /nfs/dbraw/zinc/34/63/87/141346387.db2.gz USFAQWLDZPSXIE-OAHLLOKOSA-N 2 0 345.491 1.770 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000333634363 141348119 /nfs/dbraw/zinc/34/81/19/141348119.db2.gz SYRAAIUMJGOAOW-SJORKVTESA-N 2 0 338.496 1.272 20 0 EDADRP [NH3+]CC1(CC(=O)NC2CCC(N3CC[NH2+]CC3)CC2)CCCCC1 ZINC000333664708 141352615 /nfs/dbraw/zinc/35/26/15/141352615.db2.gz XMCGPJXQOPNWBA-UHFFFAOYSA-N 2 0 336.524 1.618 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000333687073 141357989 /nfs/dbraw/zinc/35/79/89/141357989.db2.gz PJMXUKXWENRQBR-FUHWJXTLSA-N 2 0 345.491 1.830 20 0 EDADRP CN1CCO[C@H]2CCN(C(=O)NCC[NH2+]C3CCCCCC3)C[C@H]21 ZINC000333723269 141366327 /nfs/dbraw/zinc/36/63/27/141366327.db2.gz VAHAJIPXPMPKRW-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000333887900 141402839 /nfs/dbraw/zinc/40/28/39/141402839.db2.gz GHRWXBMFFLGGQY-JKSUJKDBSA-N 2 0 338.496 1.448 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCCC[NH+]1CCCC1 ZINC000339448481 142047835 /nfs/dbraw/zinc/04/78/35/142047835.db2.gz RXKNGJKARWTUAP-SFHVURJKSA-N 2 0 332.492 1.944 20 0 EDADRP C[C@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C(C)(C)C[NH+](C)C ZINC000339749067 142144149 /nfs/dbraw/zinc/14/41/49/142144149.db2.gz GFUPGKWWGXJDDM-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000339904921 142195810 /nfs/dbraw/zinc/19/58/10/142195810.db2.gz YWIVDKDEDMTJQV-KRWDZBQOSA-N 2 0 330.432 1.907 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)cc1 ZINC000342244084 142701016 /nfs/dbraw/zinc/70/10/16/142701016.db2.gz YYVGSXGCBBCZBB-UHFFFAOYSA-N 2 0 346.475 1.331 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000345696530 143122646 /nfs/dbraw/zinc/12/26/46/143122646.db2.gz REJAJQAIZYRWJI-HNNXBMFYSA-N 2 0 325.403 1.792 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000346118233 143169592 /nfs/dbraw/zinc/16/95/92/143169592.db2.gz BBIONSSNSRFSIF-GOSISDBHSA-N 2 0 330.476 1.409 20 0 EDADRP COc1ccsc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645535 143225664 /nfs/dbraw/zinc/22/56/64/143225664.db2.gz DTURTFVXGUXEMQ-KGLIPLIRSA-N 2 0 337.489 1.837 20 0 EDADRP CCC1(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCOCC1 ZINC000346694176 143232860 /nfs/dbraw/zinc/23/28/60/143232860.db2.gz SINZENMGXAAFRC-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)c1ccccc1 ZINC000347184499 143292262 /nfs/dbraw/zinc/29/22/62/143292262.db2.gz DIBAURDFUAVSIL-PKOBYXMFSA-N 2 0 347.503 1.985 20 0 EDADRP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)o1 ZINC000347183516 143292284 /nfs/dbraw/zinc/29/22/84/143292284.db2.gz XLDDOMKNRRYOGA-AWEZNQCLSA-N 2 0 349.431 1.100 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+][C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000347273440 143302679 /nfs/dbraw/zinc/30/26/79/143302679.db2.gz QWLGSTIFWWDZCB-QXAKKESOSA-N 2 0 346.519 1.205 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000572601966 306594473 /nfs/dbraw/zinc/59/44/73/306594473.db2.gz COILDQZQTFTZQX-HUUCEWRRSA-N 2 0 348.491 1.387 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(OCCC[NH3+])CC2)CCCCC1 ZINC000416822018 304350172 /nfs/dbraw/zinc/35/01/72/304350172.db2.gz MHYMSPHKDOIKME-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416841687 304350388 /nfs/dbraw/zinc/35/03/88/304350388.db2.gz MIJHYFQZPLKDGR-QGZVFWFLSA-N 2 0 347.507 1.231 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+]1CCCC1 ZINC000416842572 304350723 /nfs/dbraw/zinc/35/07/23/304350723.db2.gz NKNWCYBJIHAVAM-ZBFHGGJFSA-N 2 0 334.464 1.726 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000416844787 304351317 /nfs/dbraw/zinc/35/13/17/304351317.db2.gz QMCJQBBJLSGSET-UONOGXRCSA-N 2 0 338.477 1.254 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000353099536 149285944 /nfs/dbraw/zinc/28/59/44/149285944.db2.gz WEGFHSLCKHBJLP-JKSUJKDBSA-N 2 0 338.496 1.148 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000416974589 304358946 /nfs/dbraw/zinc/35/89/46/304358946.db2.gz XHWUZKBDTIIPSG-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@](C)(C[NH3+])C2)c1 ZINC000416973386 304358569 /nfs/dbraw/zinc/35/85/69/304358569.db2.gz INUDBLARIYEDHI-SFHVURJKSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979192 304360139 /nfs/dbraw/zinc/36/01/39/304360139.db2.gz WRTPJFNWOLDQLI-YOEHRIQHSA-N 2 0 334.464 1.424 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC2CCC([NH3+])CC2)c1 ZINC000416978655 304360237 /nfs/dbraw/zinc/36/02/37/304360237.db2.gz WDAVVVAPKZUCHX-UHFFFAOYSA-N 2 0 334.464 1.696 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)N1CC[NH+](C2CCOCC2)CC1 ZINC000355040292 150087482 /nfs/dbraw/zinc/08/74/82/150087482.db2.gz NSDKZGJMZMAJJO-DLBZAZTESA-N 2 0 336.480 1.119 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000355043953 150088179 /nfs/dbraw/zinc/08/81/79/150088179.db2.gz FVXJJLIMOCEHLO-SFHVURJKSA-N 2 0 342.480 1.125 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)N[C@H]2CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000417031465 304363016 /nfs/dbraw/zinc/36/30/16/304363016.db2.gz XLMLIYXBWVEIFL-ZWKOTPCHSA-N 2 0 345.491 1.026 20 0 EDADRP C[NH2+]CCCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417033356 304363241 /nfs/dbraw/zinc/36/32/41/304363241.db2.gz ZJLPZSHISIDBLP-UHFFFAOYSA-N 2 0 333.480 1.107 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417034023 304363732 /nfs/dbraw/zinc/36/37/32/304363732.db2.gz RPPCQLMWOQJFAR-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417037020 304364165 /nfs/dbraw/zinc/36/41/65/304364165.db2.gz ICQUMKNYJYWCOT-GOSISDBHSA-N 2 0 347.507 1.403 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000417044099 304365393 /nfs/dbraw/zinc/36/53/93/304365393.db2.gz MTGQQVGBGHTGCD-KRWDZBQOSA-N 2 0 339.528 1.221 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000357925449 151198799 /nfs/dbraw/zinc/19/87/99/151198799.db2.gz ICDUCNGPZIKPNX-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000358105656 151272760 /nfs/dbraw/zinc/27/27/60/151272760.db2.gz OXJRARSUEGNCRL-IRXDYDNUSA-N 2 0 336.524 1.393 20 0 EDADRP Cc1ccccc1[C@H](CN1CCOCC1)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358264798 151320414 /nfs/dbraw/zinc/32/04/14/151320414.db2.gz ZDCTXNTXEKAMSV-RBUKOAKNSA-N 2 0 333.476 1.025 20 0 EDADRP CN(C)C(=O)c1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358505554 151398946 /nfs/dbraw/zinc/39/89/46/151398946.db2.gz JZWYOUPLSRUXHI-UHFFFAOYSA-N 2 0 344.459 1.402 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000417112638 304373188 /nfs/dbraw/zinc/37/31/88/304373188.db2.gz LNVSULOAVYSTHN-HRCADAONSA-N 2 0 348.491 1.703 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417116736 304373916 /nfs/dbraw/zinc/37/39/16/304373916.db2.gz PWNQDKCUOSXKFL-LSDHHAIUSA-N 2 0 340.537 1.740 20 0 EDADRP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000360748589 152185092 /nfs/dbraw/zinc/18/50/92/152185092.db2.gz XBJQJAFMEFPMBA-HOCLYGCPSA-N 2 0 326.510 1.302 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361081279 152297314 /nfs/dbraw/zinc/29/73/14/152297314.db2.gz QPPRYPNDYVOWPO-IRXDYDNUSA-N 2 0 331.460 1.745 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000361173307 152326551 /nfs/dbraw/zinc/32/65/51/152326551.db2.gz FKZIZQXXKWTYLQ-OTWHNJEPSA-N 3 0 340.556 1.349 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000417150631 304378080 /nfs/dbraw/zinc/37/80/80/304378080.db2.gz GLYOHVRCAOURIH-SUMWQHHRSA-N 2 0 334.439 1.921 20 0 EDADRP CCn1ccnc1CN(C(=O)C[NH+](CC)CC)[C@H]1CC12CC[NH2+]CC2 ZINC000370167005 155360534 /nfs/dbraw/zinc/36/05/34/155360534.db2.gz ZXASLQOMEIVYDR-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1 ZINC000417169620 304380438 /nfs/dbraw/zinc/38/04/38/304380438.db2.gz BXKSJUFYFJFQHP-SFHVURJKSA-N 2 0 348.491 1.667 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000363585315 153005798 /nfs/dbraw/zinc/00/57/98/153005798.db2.gz IQLHUHGEMQGFAM-FGTMMUONSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1Nc1ncnc2c1CN(C)CC2 ZINC000363589871 153007600 /nfs/dbraw/zinc/00/76/00/153007600.db2.gz WOCAITXTESASFA-VYDXJSESSA-N 2 0 345.491 1.766 20 0 EDADRP Cc1nc(C2CCN(CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n[nH]1 ZINC000363684293 153028417 /nfs/dbraw/zinc/02/84/17/153028417.db2.gz XOKGZUYDSLFWCS-UHFFFAOYSA-N 2 0 348.495 1.282 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2nccn2C1 ZINC000363771488 153052368 /nfs/dbraw/zinc/05/23/68/153052368.db2.gz FWQDOPRIMQCQNG-MRXNPFEDSA-N 2 0 335.496 1.178 20 0 EDADRP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)NCC[NH2+]C(C)(C)C)C1 ZINC000363906253 153092584 /nfs/dbraw/zinc/09/25/84/153092584.db2.gz OGVUNXIIPUGOMA-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H](O)COC(C)(C)C ZINC000364349440 153212804 /nfs/dbraw/zinc/21/28/04/153212804.db2.gz AIBUUNYNMVLJBY-QZWWFDLISA-N 2 0 328.497 1.641 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000417195653 304383386 /nfs/dbraw/zinc/38/33/86/304383386.db2.gz ODMAGPCHWMEPQK-GBESFXJTSA-N 2 0 344.503 1.847 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364608440 153286594 /nfs/dbraw/zinc/28/65/94/153286594.db2.gz ZXAVTZANSMYORM-VQIMIIECSA-N 2 0 343.427 1.534 20 0 EDADRP CN1CC[C@@H](C[N@H+](C)C[C@@H](O)Cn2cccn2)[C@@H]1c1cccnc1 ZINC000364692692 153304900 /nfs/dbraw/zinc/30/49/00/153304900.db2.gz ACEXOHNKJDVYPB-KSZLIROESA-N 2 0 329.448 1.264 20 0 EDADRP CON(C)C(=O)CC[NH2+][C@H]1CCN(Cc2cnc(C)s2)C[C@@H]1C ZINC000367321768 154077073 /nfs/dbraw/zinc/07/70/73/154077073.db2.gz JQUQOVCAWSTFJJ-WFASDCNBSA-N 2 0 340.493 1.661 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000417340114 304392456 /nfs/dbraw/zinc/39/24/56/304392456.db2.gz AAXWKRYSSKNAEU-YESZJQIVSA-N 2 0 346.475 1.506 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000417391847 304396260 /nfs/dbraw/zinc/39/62/60/304396260.db2.gz OAOUBVJIGAEWRI-QGZVFWFLSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369567591 155091883 /nfs/dbraw/zinc/09/18/83/155091883.db2.gz UBRGRMDUIOFLKB-OWCLPIDISA-N 2 0 331.464 1.506 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000369655627 155121783 /nfs/dbraw/zinc/12/17/83/155121783.db2.gz HTNKXMJDESNHSU-OWSLCNJRSA-N 2 0 334.508 1.844 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000417481336 304399267 /nfs/dbraw/zinc/39/92/67/304399267.db2.gz NMNYZDRIALEYAL-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903919 286548097 /nfs/dbraw/zinc/54/80/97/286548097.db2.gz PFPHXVWSQNGCGY-KSSFIOAISA-N 2 0 325.497 1.900 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000417524778 304403399 /nfs/dbraw/zinc/40/33/99/304403399.db2.gz KTUDLHUVCYSJPF-INIZCTEOSA-N 2 0 334.464 1.302 20 0 EDADRP CN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1CC([NH3+])C1 ZINC000417532584 304403905 /nfs/dbraw/zinc/40/39/05/304403905.db2.gz WNCYKDZTEMQHJZ-UHFFFAOYSA-N 2 0 334.464 1.301 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341084857 292349314 /nfs/dbraw/zinc/34/93/14/292349314.db2.gz KBWLEYAJWCWULI-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)N2CCc3c2cccc3C[NH+]2CCCC2)O1 ZINC000374606661 157344386 /nfs/dbraw/zinc/34/43/86/157344386.db2.gz CHYMDOBIMXOUBT-QAPCUYQASA-N 2 0 329.444 1.678 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)CC1 ZINC000377915534 158027423 /nfs/dbraw/zinc/02/74/23/158027423.db2.gz XAVVNAQLGCFFPI-UHFFFAOYSA-N 2 0 348.535 1.633 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)CC[C@@H]21 ZINC000378185608 158102994 /nfs/dbraw/zinc/10/29/94/158102994.db2.gz RGQWJQMVEZLYME-MSOLQXFVSA-N 2 0 349.519 1.964 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([NH+]3CCC[C@@H]3C)CC2)C1 ZINC000378196575 158105401 /nfs/dbraw/zinc/10/54/01/158105401.db2.gz NOQLPZQLMVGEHP-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[N@H+](C[C@@H](O)Cn1cccn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378535468 158202794 /nfs/dbraw/zinc/20/27/94/158202794.db2.gz GAULKMOFNBIYQA-GOSISDBHSA-N 2 0 329.448 1.487 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)cc1F ZINC000417936902 304434474 /nfs/dbraw/zinc/43/44/74/304434474.db2.gz RMUTYHSCJIOPOE-GOEBONIOSA-N 2 0 334.439 1.638 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352526593 162230503 /nfs/dbraw/zinc/23/05/03/162230503.db2.gz PLFACYIKVMSJBH-UHFFFAOYSA-N 2 0 349.523 1.906 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418170367 304458689 /nfs/dbraw/zinc/45/86/89/304458689.db2.gz OIYOILXYRZHKEV-OAHLLOKOSA-N 2 0 348.491 1.814 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C[NH3+])C3CC3)CC2)c1 ZINC000159229671 225174469 /nfs/dbraw/zinc/17/44/69/225174469.db2.gz IIIJRNTUMAWVNS-SFHVURJKSA-N 2 0 330.476 1.361 20 0 EDADRP COC(=O)CNC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121901601 287376143 /nfs/dbraw/zinc/37/61/43/287376143.db2.gz ORJBRJWAGXIPPX-HNNXBMFYSA-N 2 0 339.480 1.252 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418342000 304483253 /nfs/dbraw/zinc/48/32/53/304483253.db2.gz PQRQBJKVPKDOBY-JCGIZDLHSA-N 2 0 346.475 1.440 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000659454798 452305590 /nfs/dbraw/zinc/30/55/90/452305590.db2.gz ONTRDVLDLSWADJ-CQSZACIVSA-N 2 0 328.526 1.645 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000168784488 226223547 /nfs/dbraw/zinc/22/35/47/226223547.db2.gz MEAUALILEQNVGT-KKGYMGPXSA-N 2 0 329.444 1.021 20 0 EDADRP COC1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000169002225 226229519 /nfs/dbraw/zinc/22/95/19/226229519.db2.gz CPTHGLQNNMNJRG-KRWDZBQOSA-N 2 0 331.460 1.536 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418363047 304486131 /nfs/dbraw/zinc/48/61/31/304486131.db2.gz BWGYGJTUUMERFD-NORZTCDRSA-N 2 0 340.418 1.565 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000418363939 304486293 /nfs/dbraw/zinc/48/62/93/304486293.db2.gz IVHJWGZJSJPJPF-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)c1ccco1 ZINC000123943890 222355562 /nfs/dbraw/zinc/35/55/62/222355562.db2.gz NPUXIGPJXBHSTB-PBHICJAKSA-N 2 0 340.468 1.274 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418455686 304497299 /nfs/dbraw/zinc/49/72/99/304497299.db2.gz HBDJLOSQYILTGN-UONOGXRCSA-N 2 0 333.436 1.049 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])C1 ZINC000418468491 304499259 /nfs/dbraw/zinc/49/92/59/304499259.db2.gz OWZZYMIQEZESIO-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+][C@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CC1 ZINC000418482005 304500962 /nfs/dbraw/zinc/50/09/62/304500962.db2.gz DHPFQOPATDNJDK-WQVCFCJDSA-N 2 0 338.402 1.447 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000178794552 267589431 /nfs/dbraw/zinc/58/94/31/267589431.db2.gz ZOKLOLDPWAXGMS-ROUUACIJSA-N 2 0 337.508 1.855 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000275491699 268350535 /nfs/dbraw/zinc/35/05/35/268350535.db2.gz PSLDAUVPJVCEJT-HNNXBMFYSA-N 2 0 346.475 1.139 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000273225982 273033953 /nfs/dbraw/zinc/03/39/53/273033953.db2.gz NUSJMAZMNQALGB-LBPRGKRZSA-N 2 0 334.464 1.952 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000278168259 273251239 /nfs/dbraw/zinc/25/12/39/273251239.db2.gz CDTIQUWZZRPESP-SFHVURJKSA-N 2 0 331.460 1.622 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343574331 276095497 /nfs/dbraw/zinc/09/54/97/276095497.db2.gz CUYXNORNYQCYCO-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414898859 276105787 /nfs/dbraw/zinc/10/57/87/276105787.db2.gz FESOZWBWOZITOK-HNNXBMFYSA-N 2 0 332.448 1.274 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000245670146 276185921 /nfs/dbraw/zinc/18/59/21/276185921.db2.gz FHJPAXVXBHDNDQ-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264474072 276338008 /nfs/dbraw/zinc/33/80/08/276338008.db2.gz YLHHERSIKVUKNZ-HKUYNNGSSA-N 2 0 346.519 1.822 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2nncn2c1 ZINC000101670937 276370815 /nfs/dbraw/zinc/37/08/15/276370815.db2.gz YGTVRMRSFCHFRZ-MRXNPFEDSA-N 2 0 344.463 1.217 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358003224 276384303 /nfs/dbraw/zinc/38/43/03/276384303.db2.gz NFFDUZKTOLGIJT-DLBZAZTESA-N 2 0 341.544 1.288 20 0 EDADRP CNC(=O)[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@H]1c1cnn(C)c1 ZINC000346876843 277245571 /nfs/dbraw/zinc/24/55/71/277245571.db2.gz MLGKUFJBOOYWMS-GVDBMIGSSA-N 2 0 333.480 1.056 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)[C@@H]1C ZINC000354543868 277326029 /nfs/dbraw/zinc/32/60/29/277326029.db2.gz OASMFNHIFZWZKC-HLLBOEOZSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000341882619 277396663 /nfs/dbraw/zinc/39/66/63/277396663.db2.gz JGRAGHUZRXPPLS-IAGOWNOFSA-N 2 0 325.497 1.439 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885373 278210359 /nfs/dbraw/zinc/21/03/59/278210359.db2.gz ONTWADBWVRWYPN-DLBZAZTESA-N 2 0 336.524 1.536 20 0 EDADRP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1(C(=O)OC)CCC1 ZINC000423525215 288034506 /nfs/dbraw/zinc/03/45/06/288034506.db2.gz XXOMEWOEPSKQNB-JCYILVPMSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCOC1 ZINC000354348405 278344034 /nfs/dbraw/zinc/34/40/34/278344034.db2.gz NXLGRRCDCBRCDK-SJORKVTESA-N 2 0 333.480 1.393 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000339573814 279104927 /nfs/dbraw/zinc/10/49/27/279104927.db2.gz FPLDIZXUWUIUJK-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000351002533 279155377 /nfs/dbraw/zinc/15/53/77/279155377.db2.gz OCQJWJHFSUJDAC-OWCLPIDISA-N 2 0 340.512 1.212 20 0 EDADRP C[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356046217 279204323 /nfs/dbraw/zinc/20/43/23/279204323.db2.gz MQOGLKWUGMLBDT-NUJGCVRESA-N 2 0 333.476 1.420 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000345102515 279265625 /nfs/dbraw/zinc/26/56/25/279265625.db2.gz HHJFAOWIKSFOCG-KZNAEPCWSA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372576966 279301264 /nfs/dbraw/zinc/30/12/64/279301264.db2.gz WIXLWOSLTSHMRN-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110051 279316350 /nfs/dbraw/zinc/31/63/50/279316350.db2.gz JZBBCVLPJXMCFO-ZACQAIPSSA-N 2 0 337.508 1.724 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105331 279358879 /nfs/dbraw/zinc/35/88/79/279358879.db2.gz XODBRUZQHQXYAR-FJIDUMEYSA-N 2 0 338.540 1.638 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CCCOCC2)CC1 ZINC000349349456 279375382 /nfs/dbraw/zinc/37/53/82/279375382.db2.gz OGQFYMLQRJBMSJ-UHFFFAOYSA-N 2 0 346.519 1.640 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C1(C[NH3+])CCOCC1 ZINC000262268312 279384310 /nfs/dbraw/zinc/38/43/10/279384310.db2.gz MSXIRGYHQKZATP-UHFFFAOYSA-N 2 0 333.476 1.899 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@]2(C)CCCC[C@@H]2O)CC[NH2+]CC1 ZINC000422834456 279528914 /nfs/dbraw/zinc/52/89/14/279528914.db2.gz ZOKBBFOMSSBKNE-YQQAZPJKSA-N 2 0 326.481 1.839 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353793280 280071094 /nfs/dbraw/zinc/07/10/94/280071094.db2.gz JICWDOIPTZZENM-KURKYZTESA-N 2 0 336.524 1.249 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000333496663 280117078 /nfs/dbraw/zinc/11/70/78/280117078.db2.gz CWDNJNRZKYRNIO-DOTOQJQBSA-N 2 0 344.459 1.033 20 0 EDADRP CC[NH+](CC)CCSCC(=O)Nc1nc2c(s1)C[C@@H]([NH3+])CC2 ZINC000288535782 288509221 /nfs/dbraw/zinc/50/92/21/288509221.db2.gz DXGPQZHVRFXMBV-NSHDSACASA-N 2 0 342.534 1.973 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)n(C)c1C ZINC000291233535 289023002 /nfs/dbraw/zinc/02/30/02/289023002.db2.gz PZGYJWFQUBPMGU-OAHLLOKOSA-N 2 0 337.464 1.447 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261784649 289040464 /nfs/dbraw/zinc/04/04/64/289040464.db2.gz LKWRTVIFUTXBJV-GAJTVXKRSA-N 2 0 326.238 1.571 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2cc(C3CC3)nc(N3CC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000342066237 289317086 /nfs/dbraw/zinc/31/70/86/289317086.db2.gz STNYNIZZULKTOW-HZPDHXFCSA-N 2 0 344.507 1.635 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@H]2CCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000246582146 290042137 /nfs/dbraw/zinc/04/21/37/290042137.db2.gz VRNJBLMJVYQJNS-RTBURBONSA-N 2 0 344.503 1.624 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)[C@@H]2C1 ZINC000333567186 290229767 /nfs/dbraw/zinc/22/97/67/290229767.db2.gz RLGZBMXPTNIBIK-XSWLTDPXSA-N 2 0 346.519 1.876 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)CC2 ZINC000422771917 295040217 /nfs/dbraw/zinc/04/02/17/295040217.db2.gz WHTRXHOOIDQANR-GDBMZVCRSA-N 2 0 333.476 1.650 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417992122 297106304 /nfs/dbraw/zinc/10/63/04/297106304.db2.gz LURFNMRSYBZANL-OLMNPRSZSA-N 2 0 346.475 1.050 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000418542076 304510342 /nfs/dbraw/zinc/51/03/42/304510342.db2.gz HESBVRNHXLYMJI-IKICRFKJSA-N 2 0 346.475 1.580 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418790669 304531692 /nfs/dbraw/zinc/53/16/92/304531692.db2.gz NBCIJUARXNEBPX-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CCCCCC1 ZINC000418902594 304546696 /nfs/dbraw/zinc/54/66/96/304546696.db2.gz QAWLMONFGLQBPK-LSDHHAIUSA-N 2 0 338.496 1.143 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000423358465 304598524 /nfs/dbraw/zinc/59/85/24/304598524.db2.gz UFPLYHJYCKWVDE-ROUUACIJSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000419705807 304667301 /nfs/dbraw/zinc/66/73/01/304667301.db2.gz BTQAYGNEELYYHK-OAGGEKHMSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000419993368 304722977 /nfs/dbraw/zinc/72/29/77/304722977.db2.gz KFPVBKXZOOYRMS-AWEZNQCLSA-N 2 0 340.512 1.199 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NCC1(C)CC[NH2+]CC1)C(C)C ZINC000420100263 304737066 /nfs/dbraw/zinc/73/70/66/304737066.db2.gz GBZKWCPMPHMBNB-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000422029035 447315698 /nfs/dbraw/zinc/31/56/98/447315698.db2.gz ZAWJBHHDBCNNNC-SFHVURJKSA-N 2 0 338.540 1.591 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C)c1Cl ZINC000294431997 303106145 /nfs/dbraw/zinc/10/61/45/303106145.db2.gz FTYRDXPSHHEUBG-ZDUSSCGKSA-N 2 0 341.887 1.562 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)ccc21 ZINC000294978344 303158910 /nfs/dbraw/zinc/15/89/10/303158910.db2.gz JOZHLPYXHCWHOJ-IRXDYDNUSA-N 2 0 326.444 1.814 20 0 EDADRP COc1nccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)n1 ZINC000295586078 303238256 /nfs/dbraw/zinc/23/82/56/303238256.db2.gz DWTRTKADZINJLH-WMZOPIPTSA-N 2 0 342.443 1.458 20 0 EDADRP [NH3+]CCC[N@H+](CCN1C(=O)NC2(CCCC2)C1=O)CC1CCCC1 ZINC000352487436 303377728 /nfs/dbraw/zinc/37/77/28/303377728.db2.gz FAVKAFBXLHOCQQ-UHFFFAOYSA-N 2 0 336.480 1.692 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)CO2 ZINC000297651615 303423999 /nfs/dbraw/zinc/42/39/99/303423999.db2.gz KEHZWUPFUSVLIO-NVXWUHKLSA-N 2 0 333.476 1.472 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000363704422 303475255 /nfs/dbraw/zinc/47/52/55/303475255.db2.gz ULESSGKUXDQIDT-JFMONLCZSA-N 2 0 331.435 2.000 20 0 EDADRP COC(C[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1)OC ZINC000372875730 447330346 /nfs/dbraw/zinc/33/03/46/447330346.db2.gz DRLDFILGYQDMJF-UHFFFAOYSA-N 2 0 327.513 1.733 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000414876153 447338490 /nfs/dbraw/zinc/33/84/90/447338490.db2.gz KCLKMJOVBKXYRU-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000333558703 303810612 /nfs/dbraw/zinc/81/06/12/303810612.db2.gz QFXCJOVWHMDUNL-DLBZAZTESA-N 2 0 338.496 1.272 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C(C)C)CC[NH2+]CC1 ZINC000422960040 304880997 /nfs/dbraw/zinc/88/09/97/304880997.db2.gz ALGJAGWSXUARJM-HRCADAONSA-N 2 0 326.481 1.959 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)NCC[NH+](C)C ZINC000423021414 304883252 /nfs/dbraw/zinc/88/32/52/304883252.db2.gz CAHFKQZYYXVXEQ-BZSNNMDCSA-N 3 0 340.556 1.979 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423211419 304889567 /nfs/dbraw/zinc/88/95/67/304889567.db2.gz HHCAARZWHHHKPZ-QLFBSQMISA-N 2 0 339.505 1.990 20 0 EDADRP [NH3+]CCCn1cc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)nn1 ZINC000423298518 304891646 /nfs/dbraw/zinc/89/16/46/304891646.db2.gz AJDUPGDSHXWFEK-QGZVFWFLSA-N 2 0 342.447 1.194 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C1(OC)CC[NH2+]CC1 ZINC000423744534 304907616 /nfs/dbraw/zinc/90/76/16/304907616.db2.gz ODNNQHMTYHBGAB-UHFFFAOYSA-N 2 0 333.476 1.865 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1 ZINC000424461254 304930842 /nfs/dbraw/zinc/93/08/42/304930842.db2.gz CXOCEFXPAHDYJN-PBHICJAKSA-N 2 0 344.459 1.477 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000414895916 447348214 /nfs/dbraw/zinc/34/82/14/447348214.db2.gz NVDODSJGXGLMNO-INIZCTEOSA-N 2 0 344.459 1.418 20 0 EDADRP C[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]([NH3+])c1ccccc1 ZINC000429031406 305023335 /nfs/dbraw/zinc/02/33/35/305023335.db2.gz SDHIQNYVZOHWTA-KSSFIOAISA-N 2 0 339.443 1.766 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430596025 305057570 /nfs/dbraw/zinc/05/75/70/305057570.db2.gz NMXWFRAWYAUGSZ-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP CC[NH2+]CC1CC[NH+](CCC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000430603349 305058157 /nfs/dbraw/zinc/05/81/57/305058157.db2.gz YHWGSDWTEDKZHZ-UHFFFAOYSA-N 2 0 338.374 1.086 20 0 EDADRP CCc1ccc(CC[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430631729 305060408 /nfs/dbraw/zinc/06/04/08/305060408.db2.gz VUQHRABFZUWWQT-LJQANCHMSA-N 2 0 329.488 1.935 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000430698410 305062697 /nfs/dbraw/zinc/06/26/97/305062697.db2.gz NHTXUFSMJDYTML-GOSISDBHSA-N 2 0 331.460 1.920 20 0 EDADRP COCC[C@]1(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]C1 ZINC000430751598 305064003 /nfs/dbraw/zinc/06/40/03/305064003.db2.gz XQIMYJXSXQDUHN-LJQANCHMSA-N 2 0 346.475 1.178 20 0 EDADRP O=C(c1cn(C2CC[NH2+]CC2)nn1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000430815228 305065201 /nfs/dbraw/zinc/06/52/01/305065201.db2.gz OUUKNTALXFYVSK-OAHLLOKOSA-N 2 0 346.479 1.151 20 0 EDADRP C[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873425 305066591 /nfs/dbraw/zinc/06/65/91/305066591.db2.gz SLQAPJCMCGWKTO-KXBFYZLASA-N 2 0 344.459 1.322 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@H](C[NH3+])C2)CC1 ZINC000430960081 305071058 /nfs/dbraw/zinc/07/10/58/305071058.db2.gz GXGDOXFCLLLTTJ-GOSISDBHSA-N 2 0 344.503 1.310 20 0 EDADRP COc1ccccc1N1CC[C@H]([NH+]2CCC3(CC[NH2+]C3)CC2)C1=O ZINC000431016753 305072981 /nfs/dbraw/zinc/07/29/81/305072981.db2.gz KSKFKNIFFLVNIF-INIZCTEOSA-N 2 0 329.444 1.876 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)COC2C[NH2+]C2)c2ccccc2)CC1 ZINC000431058709 305074050 /nfs/dbraw/zinc/07/40/50/305074050.db2.gz NYALKTJLIRGJOF-GOSISDBHSA-N 2 0 331.460 1.564 20 0 EDADRP CCC[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1CC[NH2+]CC1 ZINC000431086428 305074662 /nfs/dbraw/zinc/07/46/62/305074662.db2.gz QTSABSMCEODVIX-UHFFFAOYSA-N 2 0 332.448 1.578 20 0 EDADRP COC(=O)[C@@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433141153 305101624 /nfs/dbraw/zinc/10/16/24/305101624.db2.gz MLXRHMNIAYLQPZ-QGZVFWFLSA-N 2 0 347.459 1.090 20 0 EDADRP CCOC(=O)c1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cn1C ZINC000433157043 305101990 /nfs/dbraw/zinc/10/19/90/305101990.db2.gz LABHIRWQAXYYDA-UHFFFAOYSA-N 2 0 336.436 1.344 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433360821 305106620 /nfs/dbraw/zinc/10/66/20/305106620.db2.gz LGOWOBLAEHFVBO-KRWDZBQOSA-N 2 0 346.519 1.752 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433387266 305107562 /nfs/dbraw/zinc/10/75/62/305107562.db2.gz GESXUYFQVBHBCB-GJZGRUSLSA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433455625 305109484 /nfs/dbraw/zinc/10/94/84/305109484.db2.gz JGCUSQKVNGAEFT-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433458344 305109848 /nfs/dbraw/zinc/10/98/48/305109848.db2.gz GREXYRXEVHLCBG-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434522042 305124036 /nfs/dbraw/zinc/12/40/36/305124036.db2.gz FHXSBHWHIMQMJN-MSOLQXFVSA-N 2 0 337.508 1.913 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C(=O)C1CC[NH+](C)CC1 ZINC000435599292 305143050 /nfs/dbraw/zinc/14/30/50/305143050.db2.gz SJTOQBKFHRDRMG-CQSZACIVSA-N 2 0 336.505 1.731 20 0 EDADRP COc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000436276808 305155391 /nfs/dbraw/zinc/15/53/91/305155391.db2.gz VHAVGPDSUSDKFX-UHFFFAOYSA-N 2 0 341.459 1.787 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000437685791 305178085 /nfs/dbraw/zinc/17/80/85/305178085.db2.gz FCJJAQJZQYFUKK-MRXNPFEDSA-N 2 0 339.524 1.829 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000438267715 305184149 /nfs/dbraw/zinc/18/41/49/305184149.db2.gz BJKMKUQDFLZDIB-GOSISDBHSA-N 2 0 346.519 1.327 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000439839342 305202407 /nfs/dbraw/zinc/20/24/07/305202407.db2.gz FNAWJJSRETYFCQ-RBUKOAKNSA-N 2 0 348.535 1.632 20 0 EDADRP C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C[NH+]1CCCC1 ZINC000440988017 305215861 /nfs/dbraw/zinc/21/58/61/305215861.db2.gz XSMZITYOKGEDED-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000442760900 305229815 /nfs/dbraw/zinc/22/98/15/305229815.db2.gz AUKHAPKLFLAJHE-LSDHHAIUSA-N 2 0 344.459 1.811 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000443057029 305234458 /nfs/dbraw/zinc/23/44/58/305234458.db2.gz FBRXKZURGWOUQW-OAHLLOKOSA-N 2 0 344.459 1.813 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000444376082 305247530 /nfs/dbraw/zinc/24/75/30/305247530.db2.gz RMBWHTABLDLNBJ-OAHLLOKOSA-N 2 0 345.553 1.365 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000446372859 305264077 /nfs/dbraw/zinc/26/40/77/305264077.db2.gz YDZYROPEDVKQKL-POORBHPNSA-N 2 0 337.508 1.898 20 0 EDADRP CCN1CCC([N@H+](C)CC(O)CN(C)C2CC[NH+](CC)CC2)CC1 ZINC000447315288 305277926 /nfs/dbraw/zinc/27/79/26/305277926.db2.gz PTGOMTCOTZVHRO-UHFFFAOYSA-N 2 0 340.556 1.180 20 0 EDADRP CC[NH+]1C[C@H](C)N(C[C@@H](O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@H]1C ZINC000447316135 305278243 /nfs/dbraw/zinc/27/82/43/305278243.db2.gz WECARWZHNXHBFB-PJVZLEMVSA-N 2 0 340.556 1.176 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000449120029 305307104 /nfs/dbraw/zinc/30/71/04/305307104.db2.gz BTEACHWPYFVXFQ-OAHLLOKOSA-N 2 0 341.496 1.402 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CCSC1 ZINC000454612493 305431937 /nfs/dbraw/zinc/43/19/37/305431937.db2.gz SLGLVEAVRBCGTF-QGZVFWFLSA-N 2 0 340.537 1.740 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[C@@H]([NH3+])[C@H]3C)cc2)CC1 ZINC000457379958 305487583 /nfs/dbraw/zinc/48/75/83/305487583.db2.gz OXSHHPFFGMRLEU-CRAIPNDOSA-N 2 0 330.476 1.780 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414922028 447357078 /nfs/dbraw/zinc/35/70/78/447357078.db2.gz GCDWOZOGYGKKDM-BBRMVZONSA-N 2 0 332.448 1.588 20 0 EDADRP CCOc1cc(C[NH2+]C[C@@H]2CC[NH2+]C2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414919371 447357285 /nfs/dbraw/zinc/35/72/85/447357285.db2.gz WZADZGFMVRIMQV-GDBMZVCRSA-N 2 0 349.475 1.640 20 0 EDADRP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000516762829 305741205 /nfs/dbraw/zinc/74/12/05/305741205.db2.gz QVXUVDUBJXUDAT-YOEHRIQHSA-N 2 0 337.439 1.020 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)CC1 ZINC000517159406 305748690 /nfs/dbraw/zinc/74/86/90/305748690.db2.gz PUAPQDLAHNWIIN-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414931803 447361741 /nfs/dbraw/zinc/36/17/41/447361741.db2.gz UZBGMQMLQAEJJH-MRXNPFEDSA-N 2 0 330.432 1.171 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414944410 447366946 /nfs/dbraw/zinc/36/69/46/447366946.db2.gz OAFXZLTYQUZMIM-DYVFJYSZSA-N 2 0 344.459 1.116 20 0 EDADRP CC(C)NC(=O)NC(=O)[C@@H](C)N1CCC(Nc2ccccn2)CC1 ZINC000534126502 306003807 /nfs/dbraw/zinc/00/38/07/306003807.db2.gz SWTANBNLWOWNIS-CYBMUJFWSA-N 2 0 333.436 1.581 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000545312558 306084117 /nfs/dbraw/zinc/08/41/17/306084117.db2.gz WAHZKKIQNVSCEU-MRXNPFEDSA-N 2 0 332.496 1.192 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)O1 ZINC000552215573 306177907 /nfs/dbraw/zinc/17/79/07/306177907.db2.gz XRSQEOGSWKNIQV-IJEWVQPXSA-N 2 0 327.513 1.355 20 0 EDADRP CN1CCN(C(=O)NCC2(c3ccccc3Cl)CC2)[C@@H](C[NH3+])C1 ZINC000557186381 306225778 /nfs/dbraw/zinc/22/57/78/306225778.db2.gz FWHXFSRPLZUEGU-ZDUSSCGKSA-N 2 0 336.867 1.656 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@@H+]([C@H]3CCc4ccccc4NC3=O)C2)nn1 ZINC000557339409 306227482 /nfs/dbraw/zinc/22/74/82/306227482.db2.gz RBDZXNOVPSBKKL-WBVHZDCISA-N 2 0 340.431 1.327 20 0 EDADRP COCC1(C[NH2+]Cc2cc(OC)c(OC)cc2OC)CC[NH2+]CC1 ZINC000414957664 447373978 /nfs/dbraw/zinc/37/39/78/447373978.db2.gz QISMPPXQPFFJEZ-UHFFFAOYSA-N 2 0 338.448 1.818 20 0 EDADRP C[C@H](C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)CC1CCOCC1 ZINC000414973615 447380074 /nfs/dbraw/zinc/38/00/74/447380074.db2.gz KORGRAPIHNKSDN-ZFWWWQNUSA-N 2 0 337.430 1.865 20 0 EDADRP Cc1cccc2ncc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)n21 ZINC000414986830 447384978 /nfs/dbraw/zinc/38/49/78/447384978.db2.gz OBVSKXCBFNKQLC-AWEZNQCLSA-N 2 0 341.381 1.568 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414985503 447385188 /nfs/dbraw/zinc/38/51/88/447385188.db2.gz MXJRHIWCJLFGDV-MRXNPFEDSA-N 2 0 332.448 1.417 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)C1 ZINC000458496871 447388318 /nfs/dbraw/zinc/38/83/18/447388318.db2.gz ISHGMMGTWSNLLO-BZUAXINKSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)N2CCN(Cc3ccsc3)CC2)CC[C@H]1O ZINC000426150182 447395880 /nfs/dbraw/zinc/39/58/80/447395880.db2.gz DKCSUSCRXGLGSR-GOEBONIOSA-N 2 0 337.489 1.095 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000458529493 447401545 /nfs/dbraw/zinc/40/15/45/447401545.db2.gz XZINQBAKGMBNSW-ZBFHGGJFSA-N 2 0 328.526 1.549 20 0 EDADRP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494366892 447433712 /nfs/dbraw/zinc/43/37/12/447433712.db2.gz XGDPDODXPUHVJC-BZUAXINKSA-N 2 0 342.528 1.904 20 0 EDADRP C[C@H]1CCCN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000071872541 441178876 /nfs/dbraw/zinc/17/88/76/441178876.db2.gz YQBCZCHXUCWCGR-INIZCTEOSA-N 2 0 348.557 1.169 20 0 EDADRP C[N@H+](CCNC(=O)C1CC[NH+](CCCO)CC1)Cc1ccccc1 ZINC000081156150 441236769 /nfs/dbraw/zinc/23/67/69/441236769.db2.gz CQDZELGALRLKFQ-UHFFFAOYSA-N 2 0 333.476 1.329 20 0 EDADRP CCCC[C@H](C(=O)OC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000072597178 441240337 /nfs/dbraw/zinc/24/03/37/441240337.db2.gz JDQYWFFFWTWHLR-OAHLLOKOSA-N 2 0 327.469 1.108 20 0 EDADRP CC[NH+](CC)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072794678 441259080 /nfs/dbraw/zinc/25/90/80/441259080.db2.gz FWKAATFJGUBMTL-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(O)CCCCC1 ZINC000073243108 441304246 /nfs/dbraw/zinc/30/42/46/441304246.db2.gz LAMMMRVJVCHUPX-KRWDZBQOSA-N 2 0 339.524 1.946 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(NC=O)cc1 ZINC000073243143 441304434 /nfs/dbraw/zinc/30/44/34/441304434.db2.gz BHFRGRZRCLRQGY-GOSISDBHSA-N 2 0 346.475 1.743 20 0 EDADRP CNc1nc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)nc2ccccc21 ZINC000450264356 447440123 /nfs/dbraw/zinc/44/01/23/447440123.db2.gz ZLRNEXDSWXXLCV-CQSZACIVSA-N 2 0 341.459 2.361 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000108561193 441464546 /nfs/dbraw/zinc/46/45/46/441464546.db2.gz CUPYJADLOFPAFK-ROUUACIJSA-N 2 0 332.492 1.800 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(O)CCOCC2)CC1 ZINC000088701724 441518178 /nfs/dbraw/zinc/51/81/78/441518178.db2.gz HCSCBLMAYPSIOT-UHFFFAOYSA-N 2 0 333.476 1.460 20 0 EDADRP CC(C)[NH+](CCNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C(C)C ZINC000075654913 441546338 /nfs/dbraw/zinc/54/63/38/441546338.db2.gz JNVIFZWPBUIMGT-UHFFFAOYSA-N 2 0 347.507 1.682 20 0 EDADRP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)o1 ZINC000114506625 441665072 /nfs/dbraw/zinc/66/50/72/441665072.db2.gz MFAPMETWRGSFJV-WMZOPIPTSA-N 2 0 335.492 1.883 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)c1ccccc1 ZINC000158273883 441716000 /nfs/dbraw/zinc/71/60/00/441716000.db2.gz LSEJJMAAUPRLII-IAGOWNOFSA-N 2 0 346.475 1.135 20 0 EDADRP COc1cccc([C@@H](CNC(=O)c2csc(CC[NH3+])n2)[NH+](C)C)c1 ZINC000173658297 441815871 /nfs/dbraw/zinc/81/58/71/441815871.db2.gz SYTLMCCBVIVDNU-OAHLLOKOSA-N 2 0 348.472 1.686 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)Cc1ccccc1 ZINC000158944779 441775716 /nfs/dbraw/zinc/77/57/16/441775716.db2.gz AYMBDRFTLAHWJQ-SJORKVTESA-N 2 0 335.517 1.713 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000415440851 447442222 /nfs/dbraw/zinc/44/22/22/447442222.db2.gz MRZBRJZXIZYMKU-HIFRSBDPSA-N 2 0 332.448 1.191 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](C)CC2)C1 ZINC000068830630 441858106 /nfs/dbraw/zinc/85/81/06/441858106.db2.gz JRMLGIGWIPEENH-DLBZAZTESA-N 2 0 325.497 1.581 20 0 EDADRP COCCCNC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957641 441868611 /nfs/dbraw/zinc/86/86/11/441868611.db2.gz MFJBAMCUYVNORN-INIZCTEOSA-N 2 0 341.496 1.104 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000116538063 441829343 /nfs/dbraw/zinc/82/93/43/441829343.db2.gz RFVKMUHZZITTKS-INIZCTEOSA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000077774335 441856774 /nfs/dbraw/zinc/85/67/74/441856774.db2.gz VUIGHPLDTFNYAL-IRXDYDNUSA-N 3 0 341.544 1.242 20 0 EDADRP C[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000124315792 441915949 /nfs/dbraw/zinc/91/59/49/441915949.db2.gz GQVMODWHOVKHJK-MRXNPFEDSA-N 2 0 348.491 1.903 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123175011 441879070 /nfs/dbraw/zinc/87/90/70/441879070.db2.gz WNPWCWAIXOOKNM-FPCVCCKLSA-N 2 0 338.496 1.805 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000150999730 441988817 /nfs/dbraw/zinc/98/88/17/441988817.db2.gz YVDCSSGGLJUUBZ-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000161637609 442018663 /nfs/dbraw/zinc/01/86/63/442018663.db2.gz LDNQRHYYYAEQOF-YVZJPGBNSA-N 2 0 337.508 1.791 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cn2cccnc2n1 ZINC000125589438 442032861 /nfs/dbraw/zinc/03/28/61/442032861.db2.gz QKPJAYXXCUCMDU-OAHLLOKOSA-N 2 0 344.463 1.217 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCC[NH2+]C1 ZINC000120229583 442032955 /nfs/dbraw/zinc/03/29/55/442032955.db2.gz GMMRZNIXUQMWKL-FQEVSTJZSA-N 2 0 345.487 1.649 20 0 EDADRP CCO[C@H]1C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000120516811 442086606 /nfs/dbraw/zinc/08/66/06/442086606.db2.gz LMOORDPUNYYFHG-SJORKVTESA-N 2 0 337.508 1.865 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@]2(C)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000163497574 442169888 /nfs/dbraw/zinc/16/98/88/442169888.db2.gz YRVMMOZZLPVPJR-MJGOQNOKSA-N 2 0 331.460 1.948 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000121188685 442189740 /nfs/dbraw/zinc/18/97/40/442189740.db2.gz MBDCRNANJFWQRY-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000176228851 442196298 /nfs/dbraw/zinc/19/62/98/442196298.db2.gz LMFIFVMLEQUPJC-UHFFFAOYSA-N 2 0 328.526 1.551 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCCC[NH+](C)CCOC ZINC000176414076 442219600 /nfs/dbraw/zinc/21/96/00/442219600.db2.gz NAGQJNZMWUURGP-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000168514484 442224293 /nfs/dbraw/zinc/22/42/93/442224293.db2.gz QBRSKUNVNNSXEG-SZMVWBNQSA-N 2 0 331.460 1.486 20 0 EDADRP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168898450 442225232 /nfs/dbraw/zinc/22/52/32/442225232.db2.gz KEDIFRQQSIUTRP-HXUWFJFHSA-N 2 0 331.504 1.962 20 0 EDADRP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168913061 442225498 /nfs/dbraw/zinc/22/54/98/442225498.db2.gz DBWRBNGKKYNQHD-YLJYHZDGSA-N 2 0 331.504 1.900 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000171155599 442320926 /nfs/dbraw/zinc/32/09/26/442320926.db2.gz ZRRSGACWGGAXMQ-MRXNPFEDSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000129320805 442311506 /nfs/dbraw/zinc/31/15/06/442311506.db2.gz YSHWQOYFEVRTBG-MSOLQXFVSA-N 2 0 332.492 1.752 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000171122693 442316189 /nfs/dbraw/zinc/31/61/89/442316189.db2.gz LOUZAIHWDCZVJK-XHSDSOJGSA-N 2 0 325.497 1.865 20 0 EDADRP Cc1nccn1CCCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155510009 442403892 /nfs/dbraw/zinc/40/38/92/442403892.db2.gz PJOSTGOBWQVOSE-QGZVFWFLSA-N 2 0 334.464 1.731 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000178388195 442429782 /nfs/dbraw/zinc/42/97/82/442429782.db2.gz PGPCMXQCIUWJSU-HNNXBMFYSA-N 2 0 338.496 1.938 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000134070054 442448973 /nfs/dbraw/zinc/44/89/73/442448973.db2.gz JEOOAFANDIPYBG-MRXNPFEDSA-N 2 0 346.475 1.487 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000172613098 442504288 /nfs/dbraw/zinc/50/42/88/442504288.db2.gz OLXYMPIHFZIKIJ-GOSISDBHSA-N 2 0 333.476 1.835 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H](C[NH3+])c3ccccc3)CC2)CC1 ZINC000178743535 442472334 /nfs/dbraw/zinc/47/23/34/442472334.db2.gz WJVGQMMSJPOIBY-IBGZPJMESA-N 3 0 344.503 1.404 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000186449260 442536816 /nfs/dbraw/zinc/53/68/16/442536816.db2.gz HGBDHUMEFPGOCF-SFHVURJKSA-N 2 0 330.476 1.387 20 0 EDADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000156802693 442521690 /nfs/dbraw/zinc/52/16/90/442521690.db2.gz ADPHNYSOVKZJOO-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1)[C@H](C)[NH3+] ZINC000192118924 442597216 /nfs/dbraw/zinc/59/72/16/442597216.db2.gz BSQXIWOHDRAZRP-JKIFEVAISA-N 2 0 346.475 1.775 20 0 EDADRP C[C@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000180463921 442605354 /nfs/dbraw/zinc/60/53/54/442605354.db2.gz FASKBYQFQGUOEO-BEFAXECRSA-N 2 0 345.466 1.874 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000187122069 442653772 /nfs/dbraw/zinc/65/37/72/442653772.db2.gz MNUBNJRWFFLDCL-KRWDZBQOSA-N 2 0 342.528 1.356 20 0 EDADRP COCCN1CCC[C@H]1C[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192534539 442659179 /nfs/dbraw/zinc/65/91/79/442659179.db2.gz RTGLVYFTLUSNBE-AWEZNQCLSA-N 2 0 335.473 1.800 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1CC[NH+](C)CC1 ZINC000188170373 442719874 /nfs/dbraw/zinc/71/98/74/442719874.db2.gz KDLHFGFJUVHVHZ-HXUWFJFHSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000193503442 442749099 /nfs/dbraw/zinc/74/90/99/442749099.db2.gz CBJHUZFMGSSDFD-QAPCUYQASA-N 2 0 330.476 1.304 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CC1 ZINC000247079976 442835127 /nfs/dbraw/zinc/83/51/27/442835127.db2.gz OTWJCHQXWDATDD-ZBFHGGJFSA-N 2 0 331.526 1.511 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000193928683 442814078 /nfs/dbraw/zinc/81/40/78/442814078.db2.gz AQTNDJXDKVAJHM-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000182793444 442826243 /nfs/dbraw/zinc/82/62/43/442826243.db2.gz HCYTWEWHSWGUGD-UHFFFAOYSA-N 2 0 338.496 1.762 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C1 ZINC000247326132 442847479 /nfs/dbraw/zinc/84/74/79/442847479.db2.gz UEUVMSSKIZZBIC-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C1 ZINC000265639416 442856769 /nfs/dbraw/zinc/85/67/69/442856769.db2.gz UQCIWDCMVSIDKK-CABCVRRESA-N 2 0 340.493 1.371 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000171356768 318433932 /nfs/dbraw/zinc/43/39/32/318433932.db2.gz WHXYXACONZMMJZ-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)c1cccc(Cl)c1 ZINC000182956644 442854964 /nfs/dbraw/zinc/85/49/64/442854964.db2.gz WIZHJIOEJRQSIZ-QGZVFWFLSA-N 2 0 325.884 1.943 20 0 EDADRP O=C(C[N@H+]1CC[C@@H](CO)C1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000265819208 442932671 /nfs/dbraw/zinc/93/26/71/442932671.db2.gz KOSPKAFHAFNZOX-GOSISDBHSA-N 2 0 331.460 1.213 20 0 EDADRP CO[C@H]1C[NH+](CCOCC[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC[C@@H]1C ZINC000251780143 443017770 /nfs/dbraw/zinc/01/77/70/443017770.db2.gz LIPJKSTUGNDPAD-USTZCAOPSA-N 2 0 328.497 1.717 20 0 EDADRP CC[C@]1(CO)CCC[NH+]1CC1(C[N@H+]2CCC[C@]2(CC)CO)COC1 ZINC000251889503 443019477 /nfs/dbraw/zinc/01/94/77/443019477.db2.gz QFQZGZLSMUQKTP-RTBURBONSA-N 2 0 340.508 1.477 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)/C=C/C[NH+](C)C ZINC000266115003 443022725 /nfs/dbraw/zinc/02/27/25/443022725.db2.gz VZQDNIOANGWETB-JEJOPICUSA-N 2 0 330.476 1.431 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189964986 443038895 /nfs/dbraw/zinc/03/88/95/443038895.db2.gz QSGSQNKAJDTRBN-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790476 443108816 /nfs/dbraw/zinc/10/88/16/443108816.db2.gz GFKSFKBPHNRSCR-MRXNPFEDSA-N 2 0 326.448 1.735 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H](CO)C(C)(C)C)c1ccccc1 ZINC000184988869 443112219 /nfs/dbraw/zinc/11/22/19/443112219.db2.gz XCKDRDZTEBWUEI-DLBZAZTESA-N 2 0 335.492 1.744 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000266446174 443129211 /nfs/dbraw/zinc/12/92/11/443129211.db2.gz ARFYYLDZQJPTCO-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000261920192 443174586 /nfs/dbraw/zinc/17/45/86/443174586.db2.gz XNUHLZBYOAMVLT-SJLPKXTDSA-N 2 0 331.460 1.566 20 0 EDADRP C[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC[NH2+]1 ZINC000237545135 443175113 /nfs/dbraw/zinc/17/51/13/443175113.db2.gz GUMFVNPQARXRLW-MRXNPFEDSA-N 2 0 325.522 1.996 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000237991045 443191707 /nfs/dbraw/zinc/19/17/07/443191707.db2.gz LCJLKMLLRRAAIL-KXBFYZLASA-N 2 0 343.471 1.491 20 0 EDADRP O=C(NCCCN1CC[NH2+]CC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000238029290 443193023 /nfs/dbraw/zinc/19/30/23/443193023.db2.gz RUKFVTLPINSGFX-IBGZPJMESA-N 2 0 344.503 1.310 20 0 EDADRP C[C@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000269207132 443233340 /nfs/dbraw/zinc/23/33/40/443233340.db2.gz ODZNSAFNFUKVLM-ZWKOTPCHSA-N 2 0 344.503 1.703 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000245657640 443242983 /nfs/dbraw/zinc/24/29/83/443242983.db2.gz CTKVVEXLDOSALS-HOTGVXAUSA-N 2 0 328.501 1.374 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CSCC[NH2+]2)[C@@H](C)C1 ZINC000262758462 443210722 /nfs/dbraw/zinc/21/07/22/443210722.db2.gz ICLLMPJZLVWGHU-JYJNAYRXSA-N 2 0 343.537 1.335 20 0 EDADRP CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730435 443246494 /nfs/dbraw/zinc/24/64/94/443246494.db2.gz UXTPVKGVUIJAOR-HUUCEWRRSA-N 2 0 331.526 1.558 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[N@@H+](C)CC[C@H]2C)ccc1C[NH+](C)C ZINC000411396835 319181986 /nfs/dbraw/zinc/18/19/86/319181986.db2.gz KLHMLMPWANUTRH-OAHLLOKOSA-N 2 0 346.475 1.548 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)CC1 ZINC000245910168 443256378 /nfs/dbraw/zinc/25/63/78/443256378.db2.gz VASUGZAITJYPIE-CVEARBPZSA-N 2 0 340.512 1.203 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000414668025 319338695 /nfs/dbraw/zinc/33/86/95/319338695.db2.gz YKUDFAWSXFOQDK-UHFFFAOYSA-N 2 0 332.448 1.466 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CC[NH2+][C@@H](C)C3)CC2)nc1 ZINC000414674620 319339704 /nfs/dbraw/zinc/33/97/04/319339704.db2.gz KVKCSRSLQKSNTA-JKSUJKDBSA-N 2 0 346.475 1.768 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688015 319342593 /nfs/dbraw/zinc/34/25/93/319342593.db2.gz CPNSPKJYJWCXLG-CABCVRRESA-N 2 0 339.480 1.108 20 0 EDADRP COc1cc(Cl)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415084873 319346188 /nfs/dbraw/zinc/34/61/88/319346188.db2.gz RSNOBPQELOUNNK-LBPRGKRZSA-N 2 0 325.840 1.636 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000415749520 319369778 /nfs/dbraw/zinc/36/97/78/319369778.db2.gz RDDJAKKUXBXKFD-JKSUJKDBSA-N 2 0 344.459 1.063 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000269270752 443260850 /nfs/dbraw/zinc/26/08/50/443260850.db2.gz SIFLGFZWSUZCOC-ZWKOTPCHSA-N 2 0 333.476 1.532 20 0 EDADRP O[C@@H](C[NH+](C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000246012604 443261817 /nfs/dbraw/zinc/26/18/17/443261817.db2.gz UBIMGYGTKCULDQ-HGKCTWBKSA-N 2 0 338.492 1.349 20 0 EDADRP C[C@H](CNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1)C[NH+]1CCN(C)CC1 ZINC000266837716 443262465 /nfs/dbraw/zinc/26/24/65/443262465.db2.gz MLQXAHKTMATUSN-MSOLQXFVSA-N 2 0 346.519 1.507 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000185814677 443262807 /nfs/dbraw/zinc/26/28/07/443262807.db2.gz QNHRLWLKRUDLKL-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)[C@@H](C)S(C)(=O)=O)CC1 ZINC000191493947 443303653 /nfs/dbraw/zinc/30/36/53/443303653.db2.gz MOKSMHFOOLNSNM-JKSUJKDBSA-N 2 0 333.542 1.156 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000416826974 319464295 /nfs/dbraw/zinc/46/42/95/319464295.db2.gz CIIABPCQKLLZLQ-KBAYOESNSA-N 2 0 332.492 1.786 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(CC[NH3+])Cc2ccccc2)C[C@@H](C)O1 ZINC000416937254 319479176 /nfs/dbraw/zinc/47/91/76/319479176.db2.gz CTTMUYUBMDEZFY-IAGOWNOFSA-N 2 0 348.491 1.656 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000416948671 319483203 /nfs/dbraw/zinc/48/32/03/319483203.db2.gz PTNRXMXMYGTCCF-UGUYLWEFSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1([NH3+])CCC1 ZINC000418517859 319503989 /nfs/dbraw/zinc/50/39/89/319503989.db2.gz KISXCFCIZHGJQU-UHFFFAOYSA-N 2 0 340.418 1.919 20 0 EDADRP Cc1ncc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000264850012 443453045 /nfs/dbraw/zinc/45/30/45/443453045.db2.gz MVDDJTASDHRTGU-UHFFFAOYSA-N 2 0 328.420 1.055 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1 ZINC000422732279 319734752 /nfs/dbraw/zinc/73/47/52/319734752.db2.gz NXVHSOJNYSPAPQ-RDJZCZTQSA-N 2 0 327.432 1.739 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422944241 319739273 /nfs/dbraw/zinc/73/92/73/319739273.db2.gz ZQIJBHZSCOWCIS-GDBMZVCRSA-N 2 0 325.478 1.380 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](CO)CC2CCCC2)CC[NH2+]CC1 ZINC000423024603 319746900 /nfs/dbraw/zinc/74/69/00/319746900.db2.gz MFTRAGFZGLDVMV-ZBFHGGJFSA-N 2 0 326.481 1.839 20 0 EDADRP COC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000423307516 319763054 /nfs/dbraw/zinc/76/30/54/319763054.db2.gz GVGJSSAYIHYVAK-LJQANCHMSA-N 2 0 331.460 1.525 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535854 319782423 /nfs/dbraw/zinc/78/24/23/319782423.db2.gz FRMRLOJDVVMRSZ-CQSZACIVSA-N 2 0 327.428 1.961 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000273055661 443530073 /nfs/dbraw/zinc/53/00/73/443530073.db2.gz IFUWXXVYQKPBTH-BPQIPLTHSA-N 2 0 331.460 1.516 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000273055664 443530233 /nfs/dbraw/zinc/53/02/33/443530233.db2.gz IFUWXXVYQKPBTH-NJAFHUGGSA-N 2 0 331.460 1.516 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2ccc(C)cc2)CC1 ZINC000423762845 319812820 /nfs/dbraw/zinc/81/28/20/319812820.db2.gz VBFJZXATBPZGNP-QGZVFWFLSA-N 2 0 347.459 1.386 20 0 EDADRP CCC[C@@H](O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265188370 443563311 /nfs/dbraw/zinc/56/33/11/443563311.db2.gz ZJSSOXXWSZOHRY-QGZVFWFLSA-N 2 0 349.479 1.054 20 0 EDADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000273134805 443546094 /nfs/dbraw/zinc/54/60/94/443546094.db2.gz BWKDLCHBTFZZQG-AWEZNQCLSA-N 2 0 336.432 1.346 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000265416454 443635319 /nfs/dbraw/zinc/63/53/19/443635319.db2.gz IOHMBGYSVBVFCT-LSDHHAIUSA-N 2 0 340.493 1.323 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000430564093 319934809 /nfs/dbraw/zinc/93/48/09/319934809.db2.gz YIPVBRMYZGCLKJ-JTQLQIEISA-N 2 0 338.374 1.085 20 0 EDADRP [NH3+]C1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000431025836 319937549 /nfs/dbraw/zinc/93/75/49/319937549.db2.gz CMOGQXWFXVTGOZ-UHFFFAOYSA-N 3 0 345.491 1.372 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[N@H+]1CC=CCC1)c1cccc(F)c1 ZINC000279526557 443601561 /nfs/dbraw/zinc/60/15/61/443601561.db2.gz BQIXQGUFRUXOSM-QGZVFWFLSA-N 2 0 334.439 1.990 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000272367295 443604537 /nfs/dbraw/zinc/60/45/37/443604537.db2.gz ZZKCVXIDANEXOQ-DLBZAZTESA-N 2 0 330.476 1.394 20 0 EDADRP COC(=O)[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433168442 319974190 /nfs/dbraw/zinc/97/41/90/319974190.db2.gz RVBCVUMANUMMQR-KRWDZBQOSA-N 2 0 347.459 1.263 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)CC1 ZINC000441095419 320088806 /nfs/dbraw/zinc/08/88/06/320088806.db2.gz VAQOYCOGLGIODB-SFHVURJKSA-N 2 0 341.540 1.653 20 0 EDADRP CC[C@H](C(=O)N1C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C[C@H]1C)[NH+](C)C ZINC000441425032 320094948 /nfs/dbraw/zinc/09/49/48/320094948.db2.gz JTUNOBUDZBLIFU-GEEKYZPCSA-N 2 0 340.512 1.115 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000447962212 320150472 /nfs/dbraw/zinc/15/04/72/320150472.db2.gz GUDAXVBIXIJWKY-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000449710411 320201056 /nfs/dbraw/zinc/20/10/56/320201056.db2.gz MNMQWSLNFQIGLF-KRWDZBQOSA-N 2 0 349.500 1.344 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccc(=O)[nH]n1 ZINC000286224905 443671635 /nfs/dbraw/zinc/67/16/35/443671635.db2.gz SPALMPFNMPXBBH-HNNXBMFYSA-N 2 0 342.447 1.028 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000456591587 320310300 /nfs/dbraw/zinc/31/03/00/320310300.db2.gz WELZJXBXGQQESE-UHFFFAOYSA-N 2 0 340.427 1.434 20 0 EDADRP Cc1nccn1CC(=O)NCc1ccc(N2C[C@@H](C)O[C@H](C)C2)nc1 ZINC000457455811 320326591 /nfs/dbraw/zinc/32/65/91/320326591.db2.gz MXUALZJXJGHCRU-ZIAGYGMSSA-N 2 0 343.431 1.517 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCCC[C@H]1C ZINC000457725707 320333527 /nfs/dbraw/zinc/33/35/27/320333527.db2.gz ZJIAOAVRGCARGS-BRWVUGGUSA-N 2 0 340.512 1.395 20 0 EDADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC[NH+](C)CC1 ZINC000458785106 320341209 /nfs/dbraw/zinc/34/12/09/320341209.db2.gz JODTZWGHQRCKIT-HNNXBMFYSA-N 2 0 342.553 1.938 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458841970 320342831 /nfs/dbraw/zinc/34/28/31/320342831.db2.gz GINIFIDONUWJOI-QGZVFWFLSA-N 2 0 340.512 1.399 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459314856 320346045 /nfs/dbraw/zinc/34/60/45/320346045.db2.gz PFKLYEVITOATQS-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H]1NC(=O)N(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000459381872 320347845 /nfs/dbraw/zinc/34/78/45/320347845.db2.gz VQIZINYLHHJAHD-OAHLLOKOSA-N 2 0 336.480 1.515 20 0 EDADRP C[C@@H]1NC(=O)N(CC[NH+]2CCC(CCC[NH+]3CCCC3)CC2)C1=O ZINC000459381870 320347955 /nfs/dbraw/zinc/34/79/55/320347955.db2.gz VQIZINYLHHJAHD-HNNXBMFYSA-N 2 0 336.480 1.515 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000471640602 320353064 /nfs/dbraw/zinc/35/30/64/320353064.db2.gz AKUQEMIXNKFLTQ-INIZCTEOSA-N 2 0 340.443 1.306 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)N1CCC[C@@H](c2ncc[nH]2)C1)C1CCCC1 ZINC000286381664 443702067 /nfs/dbraw/zinc/70/20/67/443702067.db2.gz NEGGTZYQMKRYBS-CQSZACIVSA-N 2 0 347.463 1.106 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cn2cccnc2n1 ZINC000298170563 443711347 /nfs/dbraw/zinc/71/13/47/443711347.db2.gz UGMISTNTGPSLOK-KRWDZBQOSA-N 2 0 330.480 1.577 20 0 EDADRP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000521045129 320481868 /nfs/dbraw/zinc/48/18/68/320481868.db2.gz IZMWIKZITYWHQG-ZDUSSCGKSA-N 2 0 331.420 1.419 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000283823382 443732386 /nfs/dbraw/zinc/73/23/86/443732386.db2.gz YUGQCEMRQQCCOC-DLBZAZTESA-N 2 0 346.475 1.006 20 0 EDADRP COc1cc2[nH+]ccc(N3CC[NH+](C[C@H](C)O)CC3)c2cc1OC ZINC000298538275 443794282 /nfs/dbraw/zinc/79/42/82/443794282.db2.gz CXQOGWXJHGGTDP-ZDUSSCGKSA-N 2 0 331.416 1.755 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000531441740 320661082 /nfs/dbraw/zinc/66/10/82/320661082.db2.gz BXELYDUSQSVVMZ-UHFFFAOYSA-N 2 0 346.475 1.179 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000288502905 443901432 /nfs/dbraw/zinc/90/14/32/443901432.db2.gz BJNRDSBVAGTALF-IAGOWNOFSA-N 2 0 347.459 1.390 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@@H](CC[NH3+])C3)cc2)CC1 ZINC000281927999 444042036 /nfs/dbraw/zinc/04/20/36/444042036.db2.gz KCMWRQIUYGUTHL-KRWDZBQOSA-N 2 0 344.503 1.635 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H](CC[NH3+])C3)cc2)CC1 ZINC000281928001 444042050 /nfs/dbraw/zinc/04/20/50/444042050.db2.gz KCMWRQIUYGUTHL-QGZVFWFLSA-N 2 0 344.503 1.635 20 0 EDADRP [NH3+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000281946976 444046087 /nfs/dbraw/zinc/04/60/87/444046087.db2.gz LTEBHGOHZSSYGA-KRWDZBQOSA-N 2 0 345.491 1.181 20 0 EDADRP C[C@@H](O)CN1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000285683599 444072001 /nfs/dbraw/zinc/07/20/01/444072001.db2.gz AJUNEJNYQZNHTE-ZHALLVOQSA-N 2 0 345.487 1.280 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000562956315 321083153 /nfs/dbraw/zinc/08/31/53/321083153.db2.gz NQKVZVFRUFDYSV-IAGOWNOFSA-N 2 0 345.443 1.190 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCCc2ccc(Cl)cc2)CC1 ZINC000562988696 321085466 /nfs/dbraw/zinc/08/54/66/321085466.db2.gz AOGBLVJZUGAENX-QGZVFWFLSA-N 2 0 325.884 1.471 20 0 EDADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000564824360 321150260 /nfs/dbraw/zinc/15/02/60/321150260.db2.gz IZGSEXMQRCFSDT-ZSZQSSIHSA-N 2 0 329.444 1.843 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000564852076 321151047 /nfs/dbraw/zinc/15/10/47/321151047.db2.gz JEOZXFQBQOYVMQ-KURKYZTESA-N 2 0 328.497 1.377 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC(CC[NH3+])CC2)cc1 ZINC000565110823 321169920 /nfs/dbraw/zinc/16/99/20/321169920.db2.gz ULRCTMYAIZJRBG-UHFFFAOYSA-N 2 0 346.475 1.317 20 0 EDADRP CCCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566105732 321215240 /nfs/dbraw/zinc/21/52/40/321215240.db2.gz TWAPJJYCDKGJIK-GOSISDBHSA-N 2 0 348.491 1.123 20 0 EDADRP CCOC[C@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000566105544 321215256 /nfs/dbraw/zinc/21/52/56/321215256.db2.gz MKQVDNOXSSJDCR-LJQANCHMSA-N 2 0 335.492 1.311 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000567467633 321242467 /nfs/dbraw/zinc/24/24/67/321242467.db2.gz DWORSJDHVFOQFD-SJLPKXTDSA-N 2 0 330.476 1.313 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000567841442 321261581 /nfs/dbraw/zinc/26/15/81/321261581.db2.gz CUIHOXLCKFLIGD-FGTMMUONSA-N 2 0 331.460 1.474 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000567983709 321271385 /nfs/dbraw/zinc/27/13/85/321271385.db2.gz OSOSEMYQLGHTNJ-OALUTQOASA-N 2 0 344.503 1.622 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000568160977 321277657 /nfs/dbraw/zinc/27/76/57/321277657.db2.gz KIOXATGFRZAZTK-DLBZAZTESA-N 2 0 344.846 1.688 20 0 EDADRP CC1(C)CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000568491426 321293681 /nfs/dbraw/zinc/29/36/81/321293681.db2.gz QVNZVYSJGQGYKO-QGZVFWFLSA-N 2 0 346.475 1.281 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN(C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000568998559 321313980 /nfs/dbraw/zinc/31/39/80/321313980.db2.gz XPDDWZBOEXTPKH-AWEZNQCLSA-N 2 0 325.419 1.648 20 0 EDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000570934121 321364711 /nfs/dbraw/zinc/36/47/11/321364711.db2.gz GKKWNSMVHGCDMX-DNVCBOLYSA-N 2 0 344.503 1.424 20 0 EDADRP C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(N2CCOC2=O)cc1 ZINC000289338827 444111846 /nfs/dbraw/zinc/11/18/46/444111846.db2.gz IXFQFGWNBQPBJW-GUYCJALGSA-N 2 0 333.432 1.749 20 0 EDADRP CC[C@]1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)OCCc2ccccc21 ZINC000572114782 321415444 /nfs/dbraw/zinc/41/54/44/321415444.db2.gz GTWHSQBYQMWGSD-UYAOXDASSA-N 2 0 347.503 1.063 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000572282893 321424757 /nfs/dbraw/zinc/42/47/57/321424757.db2.gz URADGOXZLODXCN-SJORKVTESA-N 2 0 332.448 1.183 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)c2conc2C(C)(C)[NH3+])cc1 ZINC000572780817 321439749 /nfs/dbraw/zinc/43/97/49/321439749.db2.gz WFGDSMTZECIWSE-UHFFFAOYSA-N 2 0 346.431 1.739 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000573474366 321455799 /nfs/dbraw/zinc/45/57/99/321455799.db2.gz SMEOAHRHVBHOHM-AEFFLSMTSA-N 2 0 330.476 1.572 20 0 EDADRP C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289505926 444160806 /nfs/dbraw/zinc/16/08/06/444160806.db2.gz UPEDPMWAYPNNCG-QGZVFWFLSA-N 2 0 346.519 1.780 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000295170269 444167829 /nfs/dbraw/zinc/16/78/29/444167829.db2.gz LKHNIYHCPAGOPD-MRXNPFEDSA-N 3 0 333.480 1.098 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000289838373 444209809 /nfs/dbraw/zinc/20/98/09/444209809.db2.gz AVHMEJKTMIPCKK-QWHCGFSZSA-N 2 0 339.461 1.282 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccnn1C ZINC000576266718 321551990 /nfs/dbraw/zinc/55/19/90/321551990.db2.gz QCBGHLNUNRDIJD-AWEZNQCLSA-N 2 0 335.496 1.697 20 0 EDADRP CCOc1cncc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000301869031 444194461 /nfs/dbraw/zinc/19/44/61/444194461.db2.gz WDGPTIZYQGUSLO-XYPWUTKMSA-N 2 0 331.464 1.623 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304955478 444254511 /nfs/dbraw/zinc/25/45/11/444254511.db2.gz YTIRACUSHUSCGY-IRXDYDNUSA-N 2 0 326.481 1.351 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000290046041 444234649 /nfs/dbraw/zinc/23/46/49/444234649.db2.gz RHEGNCBUXURRKZ-HXUWFJFHSA-N 2 0 346.519 1.475 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000303249311 444235174 /nfs/dbraw/zinc/23/51/74/444235174.db2.gz FEJVBBUTTWCLGG-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000296582472 444240310 /nfs/dbraw/zinc/24/03/10/444240310.db2.gz WYDYYVNHDGRRKD-PKOBYXMFSA-N 2 0 346.519 1.870 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(N3CCCC3)nc2)C[C@H](C)[N@H+]1C ZINC000296603500 444242831 /nfs/dbraw/zinc/24/28/31/444242831.db2.gz OTKWRMWNJDOOJY-GASCZTMLSA-N 2 0 331.464 1.916 20 0 EDADRP COCC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC[NH2+]CC1 ZINC000323264426 444342560 /nfs/dbraw/zinc/34/25/60/444342560.db2.gz YDZNESSAKCDITO-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000324224069 444351829 /nfs/dbraw/zinc/35/18/29/444351829.db2.gz FWHDQAWWYOUUAU-SFHVURJKSA-N 2 0 325.497 1.583 20 0 EDADRP COc1cccc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000578376762 321765383 /nfs/dbraw/zinc/76/53/83/321765383.db2.gz SIDKJBRKYMXXDA-UHFFFAOYSA-N 2 0 336.480 1.373 20 0 EDADRP CO[C@H](C)[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290894006 444335491 /nfs/dbraw/zinc/33/54/91/444335491.db2.gz UGMRXFRNZRNOQG-HZPDHXFCSA-N 2 0 349.479 1.316 20 0 EDADRP CO[C@@H](C)[C@@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290894005 444335534 /nfs/dbraw/zinc/33/55/34/444335534.db2.gz UGMRXFRNZRNOQG-CVEARBPZSA-N 2 0 349.479 1.316 20 0 EDADRP O=C(NCC[NH+]1CCC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000337728961 444378013 /nfs/dbraw/zinc/37/80/13/444378013.db2.gz NBJSVISUKRHFOK-UHFFFAOYSA-N 2 0 340.537 1.743 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000337729373 444378156 /nfs/dbraw/zinc/37/81/56/444378156.db2.gz VXXLSWPGPBXTDP-DOTOQJQBSA-N 2 0 328.501 1.109 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000579089132 321880479 /nfs/dbraw/zinc/88/04/79/321880479.db2.gz DUJNPDZGFZNZFI-LJQANCHMSA-N 2 0 344.459 1.289 20 0 EDADRP COc1ccc(C2(C[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)CCC2)cc1 ZINC000580306228 322033924 /nfs/dbraw/zinc/03/39/24/322033924.db2.gz FEYUCXVABUGHOA-GOSISDBHSA-N 2 0 347.503 1.315 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000580412515 322047286 /nfs/dbraw/zinc/04/72/86/322047286.db2.gz CHQFXRDLTXNRFP-HNNXBMFYSA-N 2 0 342.871 1.478 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000580556030 322066824 /nfs/dbraw/zinc/06/68/24/322066824.db2.gz AULZMMIJOHKBPF-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](CNC(=O)COC1CCC([NH3+])CC1)[N@@H+]1CCc2ccccc2C1 ZINC000580558943 322067198 /nfs/dbraw/zinc/06/71/98/322067198.db2.gz UUZDCESMNLLGRA-VNCLNFNDSA-N 2 0 345.487 1.836 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000580708765 322084905 /nfs/dbraw/zinc/08/49/05/322084905.db2.gz XGBNMLZJDUBSDQ-RHSMWYFYSA-N 2 0 331.460 1.975 20 0 EDADRP CN1CC[NH+](CC2(C)CCN(C(=O)CN3CC(C)(C)C3)CC2)CC1 ZINC000580783007 322095090 /nfs/dbraw/zinc/09/50/90/322095090.db2.gz ICJDBYXKIHKBQV-UHFFFAOYSA-N 2 0 336.524 1.204 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)[C@H]([NH3+])c3ccccc3)[C@H]2C1 ZINC000332189560 444504315 /nfs/dbraw/zinc/50/43/15/444504315.db2.gz XLAOYFLDLPCJAC-YESZJQIVSA-N 2 0 331.460 1.644 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@@H]2CCC[N@H+](CCCO)C2)cc1 ZINC000581320943 322164267 /nfs/dbraw/zinc/16/42/67/322164267.db2.gz SSIFVLRCAMLYJT-GOSISDBHSA-N 2 0 333.476 1.367 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000581380226 322171144 /nfs/dbraw/zinc/17/11/44/322171144.db2.gz MEGYNPKGCISWRR-DLBZAZTESA-N 2 0 339.505 1.874 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000581983993 322240223 /nfs/dbraw/zinc/24/02/23/322240223.db2.gz KRCPBWFTSBKVJQ-KFKAGJAMSA-N 2 0 342.443 1.938 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000340931631 444582393 /nfs/dbraw/zinc/58/23/93/444582393.db2.gz HMXJZOBILUPONV-MAUKXSAKSA-N 2 0 330.476 1.827 20 0 EDADRP CC[C@@H](CNC(=O)C1([NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000338152643 444538751 /nfs/dbraw/zinc/53/87/51/444538751.db2.gz BKSWFOBRRDWNBZ-KRWDZBQOSA-N 2 0 331.460 1.447 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCOC1 ZINC000341014950 444631913 /nfs/dbraw/zinc/63/19/13/444631913.db2.gz BEBARAYIAQBDQN-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342342606 444642756 /nfs/dbraw/zinc/64/27/56/444642756.db2.gz DXAFTPBZVAEXBO-WBVHZDCISA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000341158480 444702074 /nfs/dbraw/zinc/70/20/74/444702074.db2.gz ICPDFSOQZSEMLK-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000341172669 444708891 /nfs/dbraw/zinc/70/88/91/444708891.db2.gz UZFLPALSVFETJB-ZACQAIPSSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@H]([C@H](C)NC(=O)N1C[C@@H]2CCCC[N@@H+]2C[C@H]1C)N1CCOCC1 ZINC000343995176 444716001 /nfs/dbraw/zinc/71/60/01/444716001.db2.gz PFXGHBDPUCYBQC-TWMKSMIVSA-N 2 0 338.496 1.364 20 0 EDADRP O=C(CN1CC[C@H]([NH+]2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000341139682 444693442 /nfs/dbraw/zinc/69/34/42/444693442.db2.gz SMIAHKSDUHBBNK-SFHVURJKSA-N 2 0 334.508 1.290 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000333737667 444693706 /nfs/dbraw/zinc/69/37/06/444693706.db2.gz XCUVLDCTQUOTEJ-JLJPHGGASA-N 2 0 334.439 1.522 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341238805 444744735 /nfs/dbraw/zinc/74/47/35/444744735.db2.gz JOVODUCOXCWTIP-AYOQOUSVSA-N 2 0 344.503 1.941 20 0 EDADRP CN(CCC[N@H+](C)CC(=O)NC1CCCCCC1)CC[NH+](C)C ZINC000344072328 444765618 /nfs/dbraw/zinc/76/56/18/444765618.db2.gz SKSYANYKJHVRGW-UHFFFAOYSA-N 2 0 326.529 1.641 20 0 EDADRP C1=CC[NH+](CCNc2cncc(NCC[N@H+]3CC=CCC3)n2)CC1 ZINC000338709027 444815951 /nfs/dbraw/zinc/81/59/51/444815951.db2.gz AVYFJFCLWRCOHY-UHFFFAOYSA-N 2 0 328.464 1.824 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@@H](C)[NH+]1C ZINC000338787513 444851763 /nfs/dbraw/zinc/85/17/63/444851763.db2.gz SMLCLEXACMLATD-FPCVCCKLSA-N 2 0 332.496 1.534 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)CCN1CC[NH+](CC)CC1 ZINC000342788534 444867033 /nfs/dbraw/zinc/86/70/33/444867033.db2.gz WRNVMHFFUWRDNU-UHFFFAOYSA-N 2 0 338.540 1.739 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000344488193 445005536 /nfs/dbraw/zinc/00/55/36/445005536.db2.gz HXEHETQNQSZTLO-IYBDPMFKSA-N 2 0 325.497 1.616 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343031389 445018092 /nfs/dbraw/zinc/01/80/92/445018092.db2.gz AWWNDBXZEYMCSU-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C(=O)NCCF ZINC000337377378 445054351 /nfs/dbraw/zinc/05/43/51/445054351.db2.gz HISFOKKWBWKVDD-DZOHQFGASA-N 2 0 333.451 1.961 20 0 EDADRP C[C@H](CC(N)=O)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000341899887 445061203 /nfs/dbraw/zinc/06/12/03/445061203.db2.gz ODNCLGFFDGSIKC-QGZVFWFLSA-N 2 0 332.492 1.438 20 0 EDADRP CC[C@H](CNC(=O)NCC[NH+]1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000337403497 445065102 /nfs/dbraw/zinc/06/51/02/445065102.db2.gz RACIFNMLSRKXBH-GOSISDBHSA-N 2 0 330.476 1.828 20 0 EDADRP CC(C)(CNC(=O)NCC[NH+]1CCC1)[N@@H+]1CCc2ccccc2C1 ZINC000337410364 445068033 /nfs/dbraw/zinc/06/80/33/445068033.db2.gz NGJFEHMMBNICDP-UHFFFAOYSA-N 2 0 330.476 1.828 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000337509964 445111666 /nfs/dbraw/zinc/11/16/66/445111666.db2.gz UHTCSWSPIREMAO-KRWDZBQOSA-N 2 0 347.507 1.887 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339249551 445114503 /nfs/dbraw/zinc/11/45/03/445114503.db2.gz OQQVXJDPWPOZFV-GJZGRUSLSA-N 2 0 334.464 1.372 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(CN2CCC[C@H]2C(N)=O)c1 ZINC000342048942 445144284 /nfs/dbraw/zinc/14/42/84/445144284.db2.gz OFSSWFRMFHGITO-COXVUDFISA-N 2 0 344.459 1.273 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000343220414 445146293 /nfs/dbraw/zinc/14/62/93/445146293.db2.gz SDRNCIDOKMXYMK-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C[C@H](C)O1 ZINC000343243961 445156963 /nfs/dbraw/zinc/15/69/63/445156963.db2.gz GNTBGYCVKSPCBK-ZWJWXYIHSA-N 2 0 339.524 1.623 20 0 EDADRP CCC[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000343338807 445204809 /nfs/dbraw/zinc/20/48/09/445204809.db2.gz LSBKICHSSHDAFL-GOSISDBHSA-N 3 0 347.507 1.440 20 0 EDADRP C[C@@H]1[C@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC[N@@H+]1C ZINC000343424050 445219767 /nfs/dbraw/zinc/21/97/67/445219767.db2.gz CEEXTPOLPQZLPJ-KBAYOESNSA-N 2 0 331.460 1.486 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000346650329 445221346 /nfs/dbraw/zinc/22/13/46/445221346.db2.gz GVPPWVIRGGXKOY-YSHGAJCASA-N 2 0 327.472 1.775 20 0 EDADRP CC(C)N1CC[C@H]([N@H+](C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)C1=O ZINC000346910795 445227625 /nfs/dbraw/zinc/22/76/25/445227625.db2.gz CWIOHASPKZSCKR-NJAFHUGGSA-N 2 0 347.507 1.744 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346972446 445228966 /nfs/dbraw/zinc/22/89/66/445228966.db2.gz HJNFWYNLISLZPV-INIZCTEOSA-N 2 0 329.510 1.312 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000343471187 445229056 /nfs/dbraw/zinc/22/90/56/445229056.db2.gz FDMQPKLCIHVOCF-WMZOPIPTSA-N 3 0 345.491 1.098 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000347534452 445241726 /nfs/dbraw/zinc/24/17/26/445241726.db2.gz AAMWXXATCONZFM-CAOSSQGBSA-N 2 0 326.485 1.220 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000347534455 445242234 /nfs/dbraw/zinc/24/22/34/445242234.db2.gz AAMWXXATCONZFM-KLHDSHLOSA-N 2 0 326.485 1.220 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NC2CCC(C[NH+](C)C)CC2)[N@H+](C)C1 ZINC000347681139 445244613 /nfs/dbraw/zinc/24/46/13/445244613.db2.gz JMRXMIOVGMCQRA-BACDZXNISA-N 2 0 340.512 1.467 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CN(C)C[C@@H]3C)cc2)CC1 ZINC000343587718 445252660 /nfs/dbraw/zinc/25/26/60/445252660.db2.gz FOWNVHSHDANETC-FXAWDEMLSA-N 2 0 330.520 1.864 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000351639924 445253890 /nfs/dbraw/zinc/25/38/90/445253890.db2.gz RZPNQTDNTJWTLO-INIZCTEOSA-N 2 0 327.517 1.044 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@H]2CC[NH+](C)C[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000348589186 445333556 /nfs/dbraw/zinc/33/35/56/445333556.db2.gz QVFOISFFLUVKCP-QYZOEREBSA-N 2 0 345.487 1.829 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)Nc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000351848643 445341780 /nfs/dbraw/zinc/34/17/80/445341780.db2.gz DPWPTJUTIMLPGX-UWVGGRQHSA-N 2 0 327.331 1.616 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(CC(=O)Nc2ccc(CN3CCOCC3)cc2)C1 ZINC000351864520 445347362 /nfs/dbraw/zinc/34/73/62/445347362.db2.gz YKJKFVQWEYWLNH-NVXWUHKLSA-N 3 0 346.475 1.126 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000351968872 445407050 /nfs/dbraw/zinc/40/70/50/445407050.db2.gz SWNVCYPZMFAZFE-HOCLYGCPSA-N 2 0 326.485 1.079 20 0 EDADRP CC[C@@H]1CC[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)O1 ZINC000362506730 445416682 /nfs/dbraw/zinc/41/66/82/445416682.db2.gz NISLXNNZMXKMEQ-GVDBMIGSSA-N 2 0 325.497 1.819 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352075373 445475626 /nfs/dbraw/zinc/47/56/26/445475626.db2.gz SFQBDJSUQZKKTC-DLBZAZTESA-N 2 0 339.505 1.693 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564960 445442185 /nfs/dbraw/zinc/44/21/85/445442185.db2.gz PQBZDGVWATUTFA-AWEZNQCLSA-N 2 0 349.479 1.106 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000355096249 445443007 /nfs/dbraw/zinc/44/30/07/445443007.db2.gz BHRXGSIFQXGNQO-UHFFFAOYSA-N 2 0 328.501 1.207 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2C2CCOCC2)CC1 ZINC000348950428 445452004 /nfs/dbraw/zinc/45/20/04/445452004.db2.gz QCTHIPFAMUIWBB-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000352126380 445508903 /nfs/dbraw/zinc/50/89/03/445508903.db2.gz SHDOKXJWQPYRIU-QUCCMNQESA-N 2 0 347.503 1.718 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000355813343 445490947 /nfs/dbraw/zinc/49/09/47/445490947.db2.gz OJMSABORSABQID-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000362778474 445545988 /nfs/dbraw/zinc/54/59/88/445545988.db2.gz SIACODIBIMPHGB-UZLBHIALSA-N 2 0 344.503 1.142 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000360171054 445610080 /nfs/dbraw/zinc/61/00/80/445610080.db2.gz MQBZVDVXWZNCSN-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP CO[C@H](C[NH3+])C(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000353464072 445614006 /nfs/dbraw/zinc/61/40/06/445614006.db2.gz WYQGPYDDQSVDNH-SJORKVTESA-N 2 0 333.476 1.549 20 0 EDADRP COc1ccc2nc(C[N@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)[nH]c2n1 ZINC000353472751 445617343 /nfs/dbraw/zinc/61/73/43/445617343.db2.gz BLYZYADWOCWNAJ-ZDUSSCGKSA-N 2 0 347.463 1.491 20 0 EDADRP COc1ccccc1[C@@H](C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358513119 445626086 /nfs/dbraw/zinc/62/60/86/445626086.db2.gz VYFNCRYOMFWOHD-OAHLLOKOSA-N 2 0 331.460 1.948 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363001440 445645308 /nfs/dbraw/zinc/64/53/08/445645308.db2.gz NNQFPVJDQRRVFG-QAPCUYQASA-N 2 0 330.476 1.954 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NCCNc1cc[nH+]cc1 ZINC000356177682 445662935 /nfs/dbraw/zinc/66/29/35/445662935.db2.gz BVJUXIAEZLFWBA-GOSISDBHSA-N 2 0 341.459 1.388 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCC1 ZINC000356223292 445684636 /nfs/dbraw/zinc/68/46/36/445684636.db2.gz NHEWBBOQFCHHQZ-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000353635929 445685206 /nfs/dbraw/zinc/68/52/06/445685206.db2.gz NXNBJHACDYPRDL-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349903889 445716957 /nfs/dbraw/zinc/71/69/57/445716957.db2.gz IBKRKOTWVBVPPI-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358700186 445725907 /nfs/dbraw/zinc/72/59/07/445725907.db2.gz YZTWLUSZTVAUGS-JFIYKMOQSA-N 2 0 340.512 1.110 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(CCCC(=O)OC)CC2)C1 ZINC000361467882 445773349 /nfs/dbraw/zinc/77/33/49/445773349.db2.gz YGWAVWZEUOVZFT-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)C2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000353752362 445738454 /nfs/dbraw/zinc/73/84/54/445738454.db2.gz GEQFBHPDVWLGLP-AEFFLSMTSA-N 2 0 345.487 1.911 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)C1CC[NH2+]CC1 ZINC000353762134 445743624 /nfs/dbraw/zinc/74/36/24/445743624.db2.gz XUHNXPUMGIZTLP-INIZCTEOSA-N 2 0 339.480 1.252 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(C(N)=O)s1 ZINC000353804232 445763789 /nfs/dbraw/zinc/76/37/89/445763789.db2.gz RTWJINZSTRGFJQ-UHFFFAOYSA-N 2 0 340.493 1.193 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000361498199 445789635 /nfs/dbraw/zinc/78/96/35/445789635.db2.gz SBTRGPNAZJREKY-DOTOQJQBSA-N 2 0 342.553 1.987 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000358819790 445791291 /nfs/dbraw/zinc/79/12/91/445791291.db2.gz XSOMQRHNLCRHMU-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H](C)O1 ZINC000358855066 445813122 /nfs/dbraw/zinc/81/31/22/445813122.db2.gz LCRCQTKNDMELFP-CPUCHLNUSA-N 2 0 337.439 1.484 20 0 EDADRP CC(C)[C@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000399590898 325749670 /nfs/dbraw/zinc/74/96/70/325749670.db2.gz QROBRXKGUDOJHZ-HKUYNNGSSA-N 2 0 346.519 1.540 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358961491 445866488 /nfs/dbraw/zinc/86/64/88/445866488.db2.gz VHLSPCIYYSFZFH-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC3(CCC3)C[C@@H]2C)C1 ZINC000373025085 445982269 /nfs/dbraw/zinc/98/22/69/445982269.db2.gz KLURWBLSAVCDAZ-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)cc1 ZINC000582774885 325923521 /nfs/dbraw/zinc/92/35/21/325923521.db2.gz GHLKXTDOYACUSX-BMFZPTHFSA-N 2 0 336.867 1.946 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000354244437 446040644 /nfs/dbraw/zinc/04/06/44/446040644.db2.gz PPMKSPCKQJZEAH-HUUCEWRRSA-N 2 0 326.437 1.147 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCOCC4)cn2)CC1 ZINC000369226679 446005113 /nfs/dbraw/zinc/00/51/13/446005113.db2.gz VZTAOLZMWWVRPM-QGZVFWFLSA-N 2 0 330.476 1.882 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000583199189 326025003 /nfs/dbraw/zinc/02/50/03/326025003.db2.gz CGXDCQLPBNYJNI-DLBZAZTESA-N 2 0 325.497 1.066 20 0 EDADRP C[C@H]1CN(CCNC(=O)[C@H](c2ccc(Cl)cc2)N(C)C)CCO1 ZINC000583211656 326027954 /nfs/dbraw/zinc/02/79/54/326027954.db2.gz CQFGUIWEKBLOMQ-BBRMVZONSA-N 2 0 339.867 1.780 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)CC1 ZINC000583265219 326038471 /nfs/dbraw/zinc/03/84/71/326038471.db2.gz HDJWNKXOFCVGCK-BEFAXECRSA-N 2 0 344.459 1.003 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000359222911 446052473 /nfs/dbraw/zinc/05/24/73/446052473.db2.gz JHASRIHIJRTIHL-GOSISDBHSA-N 2 0 342.487 1.971 20 0 EDADRP Cn1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccc2c1=O ZINC000583417930 326067566 /nfs/dbraw/zinc/06/75/66/326067566.db2.gz NCURHEFWVLURNG-UHFFFAOYSA-N 2 0 344.459 1.104 20 0 EDADRP Cc1c(-c2nc(-c3ccc(C[NH3+])cc3)no2)nnn1C1CC[NH2+]CC1 ZINC000583498996 326085110 /nfs/dbraw/zinc/08/51/10/326085110.db2.gz HIXFGPGZMRGWAU-UHFFFAOYSA-N 2 0 339.403 1.687 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)C3([NH3+])CCC3)C2)cc(OC)c1 ZINC000583691838 326120079 /nfs/dbraw/zinc/12/00/79/326120079.db2.gz RAUNHXQWEKLSES-CQSZACIVSA-N 2 0 333.432 1.276 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000583742033 326129696 /nfs/dbraw/zinc/12/96/96/326129696.db2.gz BWYZZWZCMKRRFJ-GOSISDBHSA-N 2 0 346.475 1.460 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2ncccc2O)CC1 ZINC000583838777 326148200 /nfs/dbraw/zinc/14/82/00/326148200.db2.gz BVVOXAVANPOCKZ-UHFFFAOYSA-N 2 0 348.491 1.703 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CCC[C@H](N4CCOCC4)CC3)ccc21 ZINC000583944951 326171292 /nfs/dbraw/zinc/17/12/92/326171292.db2.gz BOCJHIVYJCRQKP-INIZCTEOSA-N 2 0 329.448 1.655 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000584118171 326204034 /nfs/dbraw/zinc/20/40/34/326204034.db2.gz LGSUVXNOSLDRCW-MRXNPFEDSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C[C@@H](O)C[NH+](C)C3CC3)CC2)C[C@H](C)O1 ZINC000351474850 446075708 /nfs/dbraw/zinc/07/57/08/446075708.db2.gz HNNTXNOTOYNGOV-FCEWJHQRSA-N 2 0 339.524 1.263 20 0 EDADRP C[C@H]1CSCCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000365202933 446077778 /nfs/dbraw/zinc/07/77/78/446077778.db2.gz MJLBZZWJPQRAMQ-CABCVRRESA-N 2 0 340.537 1.549 20 0 EDADRP C[C@@H]1CN([C@@H](CNc2ccnc(N(C)C)n2)c2cccs2)CCO1 ZINC000354353978 446137420 /nfs/dbraw/zinc/13/74/20/446137420.db2.gz OANBYRAQGURCRO-KGLIPLIRSA-N 2 0 347.488 2.478 20 0 EDADRP CCc1cccc(F)c1C[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000354345924 446129655 /nfs/dbraw/zinc/12/96/55/446129655.db2.gz FATQQJABZVHVRO-UHFFFAOYSA-N 2 0 337.483 1.868 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)C(C)C ZINC000359389870 446192636 /nfs/dbraw/zinc/19/26/36/446192636.db2.gz MJCGKEKQFRLVDQ-JKSUJKDBSA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000359351310 446167464 /nfs/dbraw/zinc/16/74/64/446167464.db2.gz ZBHUDZZSFUQMQU-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1CO ZINC000362072096 446193099 /nfs/dbraw/zinc/19/30/99/446193099.db2.gz KLVRGKNILPJARU-VQIMIIECSA-N 2 0 345.487 1.459 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)[C@H]1C ZINC000354429352 446197823 /nfs/dbraw/zinc/19/78/23/446197823.db2.gz WTPKCVYFDGKNBN-JYJNAYRXSA-N 2 0 326.481 1.789 20 0 EDADRP Cc1cc(N2CCN(CC[C@H]3CCCC[N@H+]3C)CC2)n2ncnc2n1 ZINC000351614045 446207995 /nfs/dbraw/zinc/20/79/95/446207995.db2.gz CXYOQMIPWPDIMS-MRXNPFEDSA-N 2 0 343.479 1.429 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@](C)(O)C(=O)OC(C)(C)C ZINC000362099689 446213031 /nfs/dbraw/zinc/21/30/31/446213031.db2.gz VATBWFBTSRPONH-SFHVURJKSA-N 2 0 346.431 1.758 20 0 EDADRP COCCc1noc(CN2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000362104713 446215746 /nfs/dbraw/zinc/21/57/46/446215746.db2.gz FGKSBNGUASXPFA-AWEZNQCLSA-N 2 0 334.464 1.955 20 0 EDADRP COc1ccccc1CCNC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366498542 446239043 /nfs/dbraw/zinc/23/90/43/446239043.db2.gz UFAHUJWOVGHCOY-LJQANCHMSA-N 2 0 331.460 1.382 20 0 EDADRP Cn1ccnc1C[C@H]1CCC[N@H+](C[C@@H](O)COCC(F)(F)F)C1 ZINC000366589856 446271361 /nfs/dbraw/zinc/27/13/61/446271361.db2.gz GSCDCHQXUHUMLY-CHWSQXEVSA-N 2 0 335.370 1.614 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)C[C@@H]2CC=CCC2)CC1 ZINC000362246504 446284328 /nfs/dbraw/zinc/28/43/28/446284328.db2.gz ZYVYZPVKTKABAZ-QGZVFWFLSA-N 2 0 337.508 1.892 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)N2CCOCC2)cc1 ZINC000359597562 446312015 /nfs/dbraw/zinc/31/20/15/446312015.db2.gz ZSMHRGDXDSJALQ-AHRSYUTCSA-N 2 0 347.503 1.998 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)NC1CCCCC1 ZINC000362272484 446297628 /nfs/dbraw/zinc/29/76/28/446297628.db2.gz GAQGBPVFSUYHBS-KBAYOESNSA-N 2 0 337.508 1.914 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CCC[NH2+]1 ZINC000417547972 446363829 /nfs/dbraw/zinc/36/38/29/446363829.db2.gz HNXJPEORFOYBPF-WBVHZDCISA-N 2 0 326.485 1.175 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)[C@H](C)C1 ZINC000417671931 446369681 /nfs/dbraw/zinc/36/96/81/446369681.db2.gz RMAXCSHFWCFIKF-TWMKSMIVSA-N 2 0 340.512 1.563 20 0 EDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370654266 446374436 /nfs/dbraw/zinc/37/44/36/446374436.db2.gz XPIIDSWDIVYEFM-ZDUSSCGKSA-N 2 0 345.534 1.831 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000417921348 446385439 /nfs/dbraw/zinc/38/54/39/446385439.db2.gz ZRLYOKFVRYUXTK-BZUAXINKSA-N 2 0 326.485 1.181 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000417951997 446397050 /nfs/dbraw/zinc/39/70/50/446397050.db2.gz NVIWQUXDENOEIJ-GOEBONIOSA-N 2 0 349.479 1.291 20 0 EDADRP CN(C(=O)NCc1ccn(C)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000376324432 446428480 /nfs/dbraw/zinc/42/84/80/446428480.db2.gz YMYUTDPOLKECGK-KRWDZBQOSA-N 2 0 333.480 1.335 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000370774497 446431929 /nfs/dbraw/zinc/43/19/29/446431929.db2.gz RRVRKDBCYWBARK-LUKYLMHMSA-N 2 0 333.501 1.828 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418076090 446432921 /nfs/dbraw/zinc/43/29/21/446432921.db2.gz QYBGEJRFBPGRNN-DOTOQJQBSA-N 2 0 334.464 1.172 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2cccn2C2CC[NH2+]CC2)C1 ZINC000370775103 446433518 /nfs/dbraw/zinc/43/35/18/446433518.db2.gz UYQMYRPCWVPCDA-KRWDZBQOSA-N 2 0 348.491 1.499 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423187270 446447313 /nfs/dbraw/zinc/44/73/13/446447313.db2.gz XSHJVNBICADZQX-KRWDZBQOSA-N 3 0 334.508 1.573 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000370731348 446407461 /nfs/dbraw/zinc/40/74/61/446407461.db2.gz WALAHSLRHCQQQO-DJIMGWMZSA-N 2 0 336.480 1.118 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417999902 446411345 /nfs/dbraw/zinc/41/13/45/446411345.db2.gz WSJQODXUMMJQOY-JEBQAFNWSA-N 2 0 346.475 1.867 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000418005428 446413682 /nfs/dbraw/zinc/41/36/82/446413682.db2.gz ZCIVJZFBMIRACC-QGZVFWFLSA-N 2 0 346.475 1.446 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418009445 446414271 /nfs/dbraw/zinc/41/42/71/446414271.db2.gz IITBBZDTGCGDRK-YSHGAJCASA-N 2 0 342.487 1.758 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000370764711 446423398 /nfs/dbraw/zinc/42/33/98/446423398.db2.gz ZTFCEVJJUMLMBD-MOPGFXCFSA-N 2 0 345.487 1.979 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418191167 446454358 /nfs/dbraw/zinc/45/43/58/446454358.db2.gz KKYGMACMSOVUKI-OWLYRPNTSA-N 2 0 328.460 1.510 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)CC[NH+](C)CC1 ZINC000418201811 446455518 /nfs/dbraw/zinc/45/55/18/446455518.db2.gz SOQNCEQAXMRRDH-UONOGXRCSA-N 2 0 326.510 1.065 20 0 EDADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1C ZINC000420291759 446456205 /nfs/dbraw/zinc/45/62/05/446456205.db2.gz KSALHAYFOJHECT-HZPDHXFCSA-N 2 0 346.475 1.417 20 0 EDADRP Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420301185 446463241 /nfs/dbraw/zinc/46/32/41/446463241.db2.gz LDHROOGDIPLPHS-ROUUACIJSA-N 2 0 345.487 1.906 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](CCS(=O)(=O)N(C)C)CC2)CC1 ZINC000367027982 446474319 /nfs/dbraw/zinc/47/43/19/446474319.db2.gz UJVDDZHKECCEFY-UHFFFAOYSA-N 2 0 331.526 1.322 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420311864 446475430 /nfs/dbraw/zinc/47/54/30/446475430.db2.gz IBUACZPCYTYWEU-HZPDHXFCSA-N 2 0 345.443 1.124 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000376406220 446479091 /nfs/dbraw/zinc/47/90/91/446479091.db2.gz CWDWKMDYFXUBSG-VAMGGRTRSA-N 3 0 334.552 1.819 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCN(c3cccnn3)CC2)cc1 ZINC000420314486 446479618 /nfs/dbraw/zinc/47/96/18/446479618.db2.gz KCPHARZLIQSQIS-QGZVFWFLSA-N 2 0 341.459 1.740 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423308113 446483565 /nfs/dbraw/zinc/48/35/65/446483565.db2.gz IRLXKLHHVCJLPG-QGZVFWFLSA-N 2 0 333.480 1.659 20 0 EDADRP CC(C)[C@@H](CNC(=O)COC1CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000423321333 446487945 /nfs/dbraw/zinc/48/79/45/446487945.db2.gz HEVJNVNKGVUQIC-QGZVFWFLSA-N 2 0 325.497 1.628 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418338913 446507139 /nfs/dbraw/zinc/50/71/39/446507139.db2.gz DPKKUFIHZWJBOA-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)(C(=O)NCCN1CCOCC1(C)C)[C@@H]([NH3+])c1ccccc1 ZINC000423374318 446507153 /nfs/dbraw/zinc/50/71/53/446507153.db2.gz JTJCQOLETXBNEY-INIZCTEOSA-N 2 0 333.476 1.940 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418349749 446508425 /nfs/dbraw/zinc/50/84/25/446508425.db2.gz XXSBTSGGELRZJL-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423378650 446510695 /nfs/dbraw/zinc/51/06/95/446510695.db2.gz MLMBVWZDLSFZOB-KFWWJZLASA-N 2 0 333.480 1.869 20 0 EDADRP CC1(C)[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCCO[C@@H]21 ZINC000423385914 446511702 /nfs/dbraw/zinc/51/17/02/446511702.db2.gz KZMDALJZZFJLDM-RQJABVFESA-N 2 0 335.414 1.616 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423383983 446512633 /nfs/dbraw/zinc/51/26/33/446512633.db2.gz JQNCZPYRKIFYFF-TZMCWYRMSA-N 2 0 331.386 1.223 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420387369 446563286 /nfs/dbraw/zinc/56/32/86/446563286.db2.gz VTQGFXJWANPVQE-IAOVAPTHSA-N 2 0 325.497 1.898 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418381655 446522557 /nfs/dbraw/zinc/52/25/57/446522557.db2.gz MGIGBNIWZHXYLF-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420347694 446523490 /nfs/dbraw/zinc/52/34/90/446523490.db2.gz ZEWPZSKILBTWGT-BMFZPTHFSA-N 2 0 344.459 1.305 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1C[C@H](C)O ZINC000418430881 446541035 /nfs/dbraw/zinc/54/10/35/446541035.db2.gz PLWIQIMBMXWJIB-UAGQMJEPSA-N 2 0 334.464 1.173 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000418441361 446543916 /nfs/dbraw/zinc/54/39/16/446543916.db2.gz RKTQIDOSVIFLNA-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000418452850 446548959 /nfs/dbraw/zinc/54/89/59/446548959.db2.gz YIZGLXBRMWLWTM-IRXDYDNUSA-N 2 0 339.528 1.315 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423475246 446550649 /nfs/dbraw/zinc/55/06/49/446550649.db2.gz ZVLMPNAMSOWJEW-GZBFAFLISA-N 2 0 325.478 1.763 20 0 EDADRP CCC[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[N@@H+]1CCOC ZINC000420373279 446551832 /nfs/dbraw/zinc/55/18/32/446551832.db2.gz MKRULWAHZHMOQQ-AABGKKOBSA-N 2 0 349.519 1.350 20 0 EDADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000423480352 446552723 /nfs/dbraw/zinc/55/27/23/446552723.db2.gz VUCVCDDZTDQGQA-GSEOLPGOSA-N 2 0 347.478 1.875 20 0 EDADRP C[C@H](c1ccsc1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000420377969 446554973 /nfs/dbraw/zinc/55/49/73/446554973.db2.gz TVODLIOYOSGZMD-OAHLLOKOSA-N 2 0 336.505 1.249 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH3+])c1ccc(NC(=O)c2ccncc2)cc1 ZINC000420402310 446574795 /nfs/dbraw/zinc/57/47/95/446574795.db2.gz JZVUGDHJACBYNJ-AWEZNQCLSA-N 2 0 328.416 1.960 20 0 EDADRP C[C@H](CC[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1)CC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000411510548 446577896 /nfs/dbraw/zinc/57/78/96/446577896.db2.gz YXTOMPUKKUAMAW-OWLVHUDESA-N 2 0 336.520 1.808 20 0 EDADRP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420408407 446581877 /nfs/dbraw/zinc/58/18/77/446581877.db2.gz VZIXTOOTLQBKHT-CYBMUJFWSA-N 2 0 339.867 1.645 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418571721 446599882 /nfs/dbraw/zinc/59/98/82/446599882.db2.gz ZEMNIYVWYDYUSI-MVJTYMMSSA-N 2 0 346.475 1.710 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000418665034 446640932 /nfs/dbraw/zinc/64/09/32/446640932.db2.gz DLMTYTDSLXTMHP-ROUUACIJSA-N 2 0 348.491 1.613 20 0 EDADRP Cn1cc([C@H]2[C@H](C[NH2+]Cc3c[nH]c4nccnc34)CCCN2C)cn1 ZINC000368101676 446641154 /nfs/dbraw/zinc/64/11/54/446641154.db2.gz UVENSPCLAVEYNN-SUMWQHHRSA-N 2 0 339.447 1.816 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CC[NH+](C3CCCCC3)CC2)C1(C)C ZINC000423707404 446650178 /nfs/dbraw/zinc/65/01/78/446650178.db2.gz DNQBVNDDLNWEFV-QFBILLFUSA-N 2 0 337.508 1.996 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000418758652 446677564 /nfs/dbraw/zinc/67/75/64/446677564.db2.gz FPAGKBZFQZIEEG-HOTGVXAUSA-N 2 0 340.512 1.646 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423650544 446624828 /nfs/dbraw/zinc/62/48/28/446624828.db2.gz LELNPXJBEFZARJ-KRWDZBQOSA-N 2 0 345.443 1.751 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423758661 446687066 /nfs/dbraw/zinc/68/70/66/446687066.db2.gz KQILIWPIJZHQBW-KRWDZBQOSA-N 2 0 337.439 1.485 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000418787590 446701971 /nfs/dbraw/zinc/70/19/71/446701971.db2.gz JDXBSMXDGVDJHZ-FGTMMUONSA-N 2 0 342.487 1.900 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418794503 446706268 /nfs/dbraw/zinc/70/62/68/446706268.db2.gz POJPFACCGWVPDT-IXDOHACOSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)CC[N@@H+]1C ZINC000371287912 446746156 /nfs/dbraw/zinc/74/61/56/446746156.db2.gz VCBUNZZIGRFGBE-NCOADZHNSA-N 2 0 338.496 1.364 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000376841602 446747744 /nfs/dbraw/zinc/74/77/44/446747744.db2.gz ZYXPUOMEWGCKJV-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCN1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321403 446772740 /nfs/dbraw/zinc/77/27/40/446772740.db2.gz QFAWFMYLOLIJQK-INIZCTEOSA-N 2 0 341.463 1.269 20 0 EDADRP C[N@H+](CCN1CCN([C@@H]2CCC[NH+](C)C2)CC1)Cc1ccc(F)cc1 ZINC000375399672 446774166 /nfs/dbraw/zinc/77/41/66/446774166.db2.gz ACQAEOASXBHULK-HXUWFJFHSA-N 2 0 348.510 1.969 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C)[NH+]1CCOCC1 ZINC000454234758 446819419 /nfs/dbraw/zinc/81/94/19/446819419.db2.gz ZPSSWRBCXZQDBV-GOEBONIOSA-N 2 0 328.501 1.373 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC[N@@H+]1C ZINC000418959166 446829075 /nfs/dbraw/zinc/82/90/75/446829075.db2.gz HFHYNCKDCSEQSO-GOEBONIOSA-N 2 0 338.496 1.014 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCc2[nH]cnc2C1 ZINC000371446349 446861584 /nfs/dbraw/zinc/86/15/84/446861584.db2.gz CUVVTJFHGFMZOH-AWEZNQCLSA-N 2 0 332.448 1.418 20 0 EDADRP [NH3+][C@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424229265 446864009 /nfs/dbraw/zinc/86/40/09/446864009.db2.gz YTUVYUZFLOWJMW-KRWDZBQOSA-N 2 0 325.416 1.350 20 0 EDADRP Cc1ccc(N2CCC[C@H](C(=O)NCC[N@@H+]3CCCOCC3)C2)nc1 ZINC000377039951 446878716 /nfs/dbraw/zinc/87/87/16/446878716.db2.gz MSKNZKRMTDNUPP-KRWDZBQOSA-N 2 0 346.475 1.445 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCN(C(C)C)C3=O)CC2)CC1 ZINC000420973048 446942899 /nfs/dbraw/zinc/94/28/99/446942899.db2.gz BWOZLTBGWQVOMV-SFHVURJKSA-N 2 0 336.524 1.488 20 0 EDADRP CCCCOC[C@H](O)C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420974415 446945953 /nfs/dbraw/zinc/94/59/53/446945953.db2.gz DPBZXFJBQIEFTP-LJQANCHMSA-N 2 0 341.540 1.656 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)CC(C)(C)[NH3+])CC1 ZINC000372108585 447006708 /nfs/dbraw/zinc/00/67/08/447006708.db2.gz RWHKTTFGQKIAKL-UHFFFAOYSA-N 2 0 332.448 1.530 20 0 EDADRP COC1(C(=O)NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CC[NH2+]CC1 ZINC000372099680 447000859 /nfs/dbraw/zinc/00/08/59/447000859.db2.gz XOQWTFXUGCPAOF-ZFWWWQNUSA-N 2 0 337.489 1.626 20 0 EDADRP Cc1nccn1CC[N@@H+]1CCCC[C@H]1COC(=O)N[C@H]1CCOC1 ZINC000375813340 447072216 /nfs/dbraw/zinc/07/22/16/447072216.db2.gz ZIFGMKCGZJVMPZ-HOTGVXAUSA-N 2 0 336.436 1.561 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375802675 447063268 /nfs/dbraw/zinc/06/32/68/447063268.db2.gz VQCDYMUFKJFVSS-KURKYZTESA-N 2 0 331.460 1.887 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413227271 447079540 /nfs/dbraw/zinc/07/95/40/447079540.db2.gz AOJJVYBWPZWFLZ-QGZVFWFLSA-N 2 0 348.491 1.563 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000375906466 447137417 /nfs/dbraw/zinc/13/74/17/447137417.db2.gz PGTPXAZJPGFTHA-SJORKVTESA-N 2 0 327.513 1.263 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cccc(C(N)=O)c3)C2)CC1 ZINC000375908234 447139971 /nfs/dbraw/zinc/13/99/71/447139971.db2.gz VYIPDUOCGKFJDD-GOSISDBHSA-N 2 0 330.476 1.386 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000419410113 447158639 /nfs/dbraw/zinc/15/86/39/447158639.db2.gz AIOJKTDFDYSDTI-IAGOWNOFSA-N 2 0 346.475 1.039 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CCCCC1 ZINC000419414084 447159768 /nfs/dbraw/zinc/15/97/68/447159768.db2.gz SPLQVUMNJJULQE-GJZGRUSLSA-N 2 0 338.496 1.001 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000413451808 447189950 /nfs/dbraw/zinc/18/99/50/447189950.db2.gz MUVDCVZKGUXMGJ-SZMVWBNQSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000376019871 447213720 /nfs/dbraw/zinc/21/37/20/447213720.db2.gz SAJDKXALURLXLD-UHFFFAOYSA-N 2 0 338.496 1.101 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000375993486 447197888 /nfs/dbraw/zinc/19/78/88/447197888.db2.gz QHENGELJIBARHF-ZWKOTPCHSA-N 2 0 331.460 1.756 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000419486330 447216076 /nfs/dbraw/zinc/21/60/76/447216076.db2.gz XFNRWQLPLKGPQM-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000446055399 447220393 /nfs/dbraw/zinc/22/03/93/447220393.db2.gz RINVUKPTYFDZSE-OAHLLOKOSA-N 2 0 344.459 1.082 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2C)C[C@H]1C ZINC000447233402 447269449 /nfs/dbraw/zinc/26/94/49/447269449.db2.gz ZJLIXEHHOZFXOU-HIFRSBDPSA-N 2 0 332.448 1.968 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415472487 447464837 /nfs/dbraw/zinc/46/48/37/447464837.db2.gz XCXNKZRSDNFASB-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000495347884 447490214 /nfs/dbraw/zinc/49/02/14/447490214.db2.gz NYYUZYKMGXUCBO-CQSZACIVSA-N 2 0 328.501 1.515 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458848705 447490332 /nfs/dbraw/zinc/49/03/32/447490332.db2.gz RYHZKFSOFROFOF-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC[NH2+]1 ZINC000390862174 447504540 /nfs/dbraw/zinc/50/45/40/447504540.db2.gz IFHPVLWADMCTOH-MJGOQNOKSA-N 2 0 331.460 1.536 20 0 EDADRP CC(C)[NH2+]CCC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390861251 447504841 /nfs/dbraw/zinc/50/48/41/447504841.db2.gz MBUXUTTUMWBWOO-SFHVURJKSA-N 2 0 333.476 1.782 20 0 EDADRP CCC[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000426942342 447519441 /nfs/dbraw/zinc/51/94/41/447519441.db2.gz KFUQYLQOIDVDPE-SFHVURJKSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)cc1 ZINC000415982818 447529264 /nfs/dbraw/zinc/52/92/64/447529264.db2.gz LTJCEOCSCDSGKM-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP COc1ccccc1CN1CCN(C(=O)Cn2ccnc2C)CC1 ZINC000457533616 447589732 /nfs/dbraw/zinc/58/97/32/447589732.db2.gz WWMFJPPQUBQOPP-UHFFFAOYSA-N 2 0 328.416 1.545 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[C@H]3CC[NH2+]C3)CC2)c1 ZINC000427270846 447571717 /nfs/dbraw/zinc/57/17/17/447571717.db2.gz YRDSJKFXOKBHPC-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1cccc(F)c1 ZINC000416825232 447692578 /nfs/dbraw/zinc/69/25/78/447692578.db2.gz AOKRGAYDQCJYPZ-YQQAZPJKSA-N 2 0 334.439 1.679 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496065937 447703960 /nfs/dbraw/zinc/70/39/60/447703960.db2.gz MJOGAJVKWBQVRC-CYBMUJFWSA-N 2 0 327.473 1.355 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC3(CC[NH2+]3)CC2)Cc2ccccc2C1 ZINC000422608681 447667511 /nfs/dbraw/zinc/66/75/11/447667511.db2.gz VSRHSCMNXGWPSH-UHFFFAOYSA-N 2 0 342.487 1.623 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000457954850 447684474 /nfs/dbraw/zinc/68/44/74/447684474.db2.gz XWPDCQDJYLBHSX-YESZJQIVSA-N 2 0 340.512 1.205 20 0 EDADRP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000422831950 447763465 /nfs/dbraw/zinc/76/34/65/447763465.db2.gz KJVMYPGARLZCEI-FQEVSTJZSA-N 3 0 330.520 1.926 20 0 EDADRP C[C@@H]1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000416948673 447722821 /nfs/dbraw/zinc/72/28/21/447722821.db2.gz PTNRXMXMYGTCCF-WCVJEAGWSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422714771 447724991 /nfs/dbraw/zinc/72/49/91/447724991.db2.gz LLENYQXEUATVBK-PMACEKPBSA-N 2 0 347.503 1.874 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715418 447725725 /nfs/dbraw/zinc/72/57/25/447725725.db2.gz MCNUYNWLKXXLJF-MSOLQXFVSA-N 2 0 339.455 1.543 20 0 EDADRP C[C@H]([C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422733080 447732237 /nfs/dbraw/zinc/73/22/37/447732237.db2.gz ARYDAJSSJUFSNA-QXOCSCLMSA-N 2 0 345.487 1.941 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cnccc1N ZINC000422772256 447746324 /nfs/dbraw/zinc/74/63/24/447746324.db2.gz SHZRJVPVJYHLJJ-KRWDZBQOSA-N 2 0 339.487 1.963 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2COc3ccccc3C2)CC[NH2+]CC1 ZINC000422779362 447748309 /nfs/dbraw/zinc/74/83/09/447748309.db2.gz IIDIYZTZMPZSPT-HOCLYGCPSA-N 2 0 332.444 1.901 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)cc1 ZINC000422785113 447748913 /nfs/dbraw/zinc/74/89/13/447748913.db2.gz OUZIMVUSYYRCCC-CYBMUJFWSA-N 2 0 325.416 1.763 20 0 EDADRP CN(C[C@](C)(O)C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535932 447811785 /nfs/dbraw/zinc/81/17/85/447811785.db2.gz UEODFDANHAKHJT-ROUUACIJSA-N 2 0 341.496 1.632 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834701 447815042 /nfs/dbraw/zinc/81/50/42/447815042.db2.gz SVJNAAKUEIYERU-SJORKVTESA-N 2 0 346.475 1.504 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404344 447767703 /nfs/dbraw/zinc/76/77/03/447767703.db2.gz UQKYTNLMJNADIL-VBQJREDUSA-N 2 0 329.485 1.725 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422897159 447771624 /nfs/dbraw/zinc/77/16/24/447771624.db2.gz JFNBAENDGCEGHG-SLFFLAALSA-N 3 0 347.503 1.874 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H](C)CCC[NH3+])cc1 ZINC000422929602 447774637 /nfs/dbraw/zinc/77/46/37/447774637.db2.gz QQXQAACCEFCQQW-CQSZACIVSA-N 2 0 327.494 1.934 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000430560281 447778979 /nfs/dbraw/zinc/77/89/79/447778979.db2.gz VZZYXOGJVFMKOT-CYBMUJFWSA-N 2 0 332.448 1.434 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000430803412 447787317 /nfs/dbraw/zinc/78/73/17/447787317.db2.gz UAGPZFVNCRWJEL-LPHOPBHVSA-N 2 0 327.472 1.891 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](c1ccc(C)s1)N1CCOCC1 ZINC000422985981 447787455 /nfs/dbraw/zinc/78/74/55/447787455.db2.gz GFFKEYXTWRZAAE-HOTGVXAUSA-N 2 0 341.521 1.773 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000451932395 447789333 /nfs/dbraw/zinc/78/93/33/447789333.db2.gz SVLNNZXADGDINK-MQVJKMGUSA-N 2 0 337.489 1.652 20 0 EDADRP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000496495283 447791113 /nfs/dbraw/zinc/79/11/13/447791113.db2.gz IORYGYVNEKGQIY-HZPDHXFCSA-N 2 0 342.528 1.905 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCC(F)(F)F)nc1 ZINC000423047842 447797186 /nfs/dbraw/zinc/79/71/86/447797186.db2.gz HHAMXIKNHUIPOE-UBHSHLNASA-N 2 0 347.381 1.907 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051833 447798420 /nfs/dbraw/zinc/79/84/20/447798420.db2.gz OGSYKAVBSMOMPZ-HUUCEWRRSA-N 2 0 328.478 1.501 20 0 EDADRP C[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000496661376 447843278 /nfs/dbraw/zinc/84/32/78/447843278.db2.gz LVHPMAPGUZYHMM-DYVFJYSZSA-N 2 0 327.469 1.502 20 0 EDADRP CN(C[C@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000496704576 447852281 /nfs/dbraw/zinc/85/22/81/447852281.db2.gz YTXQLEVNFRSMPK-HOTGVXAUSA-N 2 0 341.496 1.632 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489326854 447854726 /nfs/dbraw/zinc/85/47/26/447854726.db2.gz KPOLEOCXRHTBML-IAGOWNOFSA-N 2 0 325.497 1.578 20 0 EDADRP CC(C)(C)OC(=O)NC1CC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C1 ZINC000496578978 447825235 /nfs/dbraw/zinc/82/52/35/447825235.db2.gz XKZXIHURILTUOM-UYSNPLJNSA-N 2 0 341.496 1.869 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000487281323 447828729 /nfs/dbraw/zinc/82/87/29/447828729.db2.gz SEMHBBHPRGSOEY-CYGHRXIMSA-N 2 0 347.507 1.459 20 0 EDADRP C[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000569707725 447872956 /nfs/dbraw/zinc/87/29/56/447872956.db2.gz KIMQPSUBHCGPAU-BBRMVZONSA-N 2 0 332.448 1.399 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000575741000 447886269 /nfs/dbraw/zinc/88/62/69/447886269.db2.gz QGJNFFDJIKOCNG-INIZCTEOSA-N 2 0 348.495 1.539 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000523649096 447895727 /nfs/dbraw/zinc/89/57/27/447895727.db2.gz OPSCXDGAOBAKRS-CVEARBPZSA-N 2 0 339.480 1.204 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)C ZINC000530813977 447962178 /nfs/dbraw/zinc/96/21/78/447962178.db2.gz ZZYOKFWRJNEEBO-FQEVSTJZSA-N 2 0 347.503 1.858 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000576106949 447975236 /nfs/dbraw/zinc/97/52/36/447975236.db2.gz YFNOHGBHWKLKMI-RCCFBDPRSA-N 2 0 337.508 1.996 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000525294349 447990154 /nfs/dbraw/zinc/99/01/54/447990154.db2.gz NRYLVPATYKYEMW-BZUAXINKSA-N 2 0 326.485 1.125 20 0 EDADRP C[C@@H](CNC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000531046758 448007608 /nfs/dbraw/zinc/00/76/08/448007608.db2.gz ZNYVRTRFDQZKSH-PXNSSMCTSA-N 2 0 345.487 1.472 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531049467 448007680 /nfs/dbraw/zinc/00/76/80/448007680.db2.gz FUVQHNJAMWKIKN-LJQANCHMSA-N 2 0 333.476 1.470 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000570832401 448072032 /nfs/dbraw/zinc/07/20/32/448072032.db2.gz RHUBDAJPKOFEPF-INDMIFKZSA-N 2 0 342.487 1.302 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)n1 ZINC000570864093 448078338 /nfs/dbraw/zinc/07/83/38/448078338.db2.gz NHYWDAICBKODRK-KRWDZBQOSA-N 2 0 347.438 1.617 20 0 EDADRP CC(C)CCn1nccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000526162967 448109838 /nfs/dbraw/zinc/10/98/38/448109838.db2.gz RTCPQZMZLOJJKI-UHFFFAOYSA-N 2 0 338.500 1.886 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981558 448089641 /nfs/dbraw/zinc/08/96/41/448089641.db2.gz QWXYVGRHILIBFP-QWHCGFSZSA-N 2 0 348.413 1.931 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cnc2c(cnn2C)c1 ZINC000531337190 448064075 /nfs/dbraw/zinc/06/40/75/448064075.db2.gz VDUFDGBLPVJVMR-UHFFFAOYSA-N 2 0 344.463 1.066 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1ccc(Cn2ccccc2=O)cc1)C1CC1 ZINC000555137401 448064472 /nfs/dbraw/zinc/06/44/72/448064472.db2.gz YSKXPHUUZPCRQE-LJQANCHMSA-N 2 0 341.455 1.441 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@H]3CCCCC[C@H]3[NH3+])cn2)CC1 ZINC000571156469 448111690 /nfs/dbraw/zinc/11/16/90/448111690.db2.gz DBKSBZXHLQKKIA-MSOLQXFVSA-N 2 0 331.508 1.973 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2C[NH+](C3CC3)C[C@H]2C)C1 ZINC000531809341 448150670 /nfs/dbraw/zinc/15/06/70/448150670.db2.gz HSCFWAYXRNYBAF-DJIMGWMZSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(=O)N1CCCC1 ZINC000571632877 448182864 /nfs/dbraw/zinc/18/28/64/448182864.db2.gz GRYGDJVWJMVVEY-ZSZQSSIHSA-N 2 0 329.444 1.843 20 0 EDADRP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000514824828 448208609 /nfs/dbraw/zinc/20/86/09/448208609.db2.gz BYHZDCXPNCOGRP-CLCXKQKWSA-N 2 0 335.467 1.647 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)C1 ZINC000571535715 448168850 /nfs/dbraw/zinc/16/88/50/448168850.db2.gz TZYFVQCUULRBTO-QGZVFWFLSA-N 2 0 331.460 1.924 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)/C=C\c1ccc(-n2ccnc2)cc1 ZINC000492624374 448239607 /nfs/dbraw/zinc/23/96/07/448239607.db2.gz SHRVVHMNLHTRSN-YVMONPNESA-N 2 0 328.416 1.316 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CN1C1CC1 ZINC000532210308 448216810 /nfs/dbraw/zinc/21/68/10/448216810.db2.gz ULCJVJWRQPEYRF-QAPCUYQASA-N 2 0 343.471 1.874 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000572033562 448268964 /nfs/dbraw/zinc/26/89/64/448268964.db2.gz PUTOIKMXOINROA-NXNVCVFFSA-N 2 0 334.464 1.047 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)[NH+]1CCCC1 ZINC000591095045 448259452 /nfs/dbraw/zinc/25/94/52/448259452.db2.gz ULLKMCOTDFCZLI-RDJZCZTQSA-N 2 0 331.460 1.900 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000591100801 448262588 /nfs/dbraw/zinc/26/25/88/448262588.db2.gz WEFSKAMCVSMPQZ-GJZGRUSLSA-N 2 0 348.466 1.706 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)nc1 ZINC000577484082 448308194 /nfs/dbraw/zinc/30/81/94/448308194.db2.gz MJFBVZRIIHMVHY-INIZCTEOSA-N 2 0 334.464 1.809 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000582721192 448320301 /nfs/dbraw/zinc/32/03/01/448320301.db2.gz WTEAPIIKCJMXNL-FBVQUNGASA-N 2 0 332.444 1.844 20 0 EDADRP C[C@H](C[NH2+]C[C@@H]1CCCN(Cc2cccs2)C1)S(C)(=O)=O ZINC000582601912 448285444 /nfs/dbraw/zinc/28/54/44/448285444.db2.gz WWVHEVPEZIOUBA-KGLIPLIRSA-N 2 0 330.519 1.983 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000516024266 448370230 /nfs/dbraw/zinc/37/02/30/448370230.db2.gz NQJXQWTXBGVXCB-MAUKXSAKSA-N 2 0 344.503 1.854 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023583 448406460 /nfs/dbraw/zinc/40/64/60/448406460.db2.gz YLTJLWWQAWJUBA-VPEURPPWSA-N 2 0 337.512 1.065 20 0 EDADRP CCC[C@H]1CN(CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000583084285 448420473 /nfs/dbraw/zinc/42/04/73/448420473.db2.gz JZVYHZQGVLZHBF-FQEVSTJZSA-N 2 0 330.520 1.878 20 0 EDADRP CCOC(=O)CC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000516563267 448438036 /nfs/dbraw/zinc/43/80/36/448438036.db2.gz AXHQUUNZHBCVEL-GVDBMIGSSA-N 2 0 342.480 1.048 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578081115 448457537 /nfs/dbraw/zinc/45/75/37/448457537.db2.gz LXOLJYZDMJTJBN-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCN(C2CCCCC2)C1=O ZINC000528429412 448525244 /nfs/dbraw/zinc/52/52/44/448525244.db2.gz AGAPBSQFVWRVOF-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CN1CCN(C)[C@H](C[NH2+]C[C@@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000517025515 448526724 /nfs/dbraw/zinc/52/67/24/448526724.db2.gz WAWIZQCVWKANOH-CVEARBPZSA-N 2 0 345.409 1.444 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)[C@@H]1C[NH+]2CCN1CCC2 ZINC000573215399 448571436 /nfs/dbraw/zinc/57/14/36/448571436.db2.gz KAXIAJMBCKSICO-SFHVURJKSA-N 2 0 344.503 1.403 20 0 EDADRP c1ccc(C[N@H+]2CCC[C@H]3CN(CCN4CC[NH2+]CC4)CC[C@@H]32)cc1 ZINC000584470479 448538779 /nfs/dbraw/zinc/53/87/79/448538779.db2.gz BZZJUAAOJAAIHH-SFTDATJTSA-N 2 0 342.531 1.878 20 0 EDADRP CC[C@@](C)(CO)C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000566923141 448586950 /nfs/dbraw/zinc/58/69/50/448586950.db2.gz GEFXICDVXRTRSX-KRWDZBQOSA-N 2 0 325.497 1.462 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000584816626 448639869 /nfs/dbraw/zinc/63/98/69/448639869.db2.gz WZKCQODJLZLCPO-ROUUACIJSA-N 2 0 343.471 1.945 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000567249306 448650068 /nfs/dbraw/zinc/65/00/68/448650068.db2.gz RXBJVCFZHHHJMB-PWSUYJOCSA-N 2 0 328.819 1.824 20 0 EDADRP CCC[NH+](C)CC(=O)N1[C@H](C)CN(C(=O)C[N@@H+](C)CCC)C[C@@H]1C ZINC000567321041 448662620 /nfs/dbraw/zinc/66/26/20/448662620.db2.gz RFXIYWJGRQIJDL-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP C[C@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000573583865 448665576 /nfs/dbraw/zinc/66/55/76/448665576.db2.gz PYNMDMMVQVEFJA-VUHPKUFZSA-N 2 0 328.460 1.558 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000579099752 448714029 /nfs/dbraw/zinc/71/40/29/448714029.db2.gz IVDATRINRKDYAG-RDJZCZTQSA-N 2 0 344.459 1.578 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000567571524 448715646 /nfs/dbraw/zinc/71/56/46/448715646.db2.gz LPYZUNMUMCIGJG-KDOFPFPSSA-N 2 0 328.460 1.657 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C[C@@H]2CC23CCSCC3)C[C@H](C)O1 ZINC000567378279 448680663 /nfs/dbraw/zinc/68/06/63/448680663.db2.gz VTDLXFHEBOJJSU-XUWVNRHRSA-N 2 0 328.522 1.579 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC1CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000573940577 448753596 /nfs/dbraw/zinc/75/35/96/448753596.db2.gz NAWNWVQFUBVXDI-KRWDZBQOSA-N 2 0 340.512 1.422 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000519635151 448807363 /nfs/dbraw/zinc/80/73/63/448807363.db2.gz UZEHVBGJQYSIHD-RDJZCZTQSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000568058051 448809068 /nfs/dbraw/zinc/80/90/68/448809068.db2.gz RPKFUBXDQQMIAX-JQHSSLGASA-N 2 0 346.475 1.409 20 0 EDADRP COC(=O)CN(CCN1CC[NH+](C)CC1)C[C@@H]1CCCC(C)(C)C1 ZINC000545992390 448811903 /nfs/dbraw/zinc/81/19/03/448811903.db2.gz PYYZHKWKXHTZFZ-QGZVFWFLSA-N 2 0 339.524 1.925 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1nccs1 ZINC000546041097 448817169 /nfs/dbraw/zinc/81/71/69/448817169.db2.gz SJEKPOIDCOFTEK-ZDUSSCGKSA-N 2 0 327.498 1.381 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319733 448821013 /nfs/dbraw/zinc/82/10/13/448821013.db2.gz CLZCDLCYGSGBMQ-RDJZCZTQSA-N 2 0 346.475 1.314 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529363460 448841131 /nfs/dbraw/zinc/84/11/31/448841131.db2.gz FLTGTFPTFDXWEN-IAGOWNOFSA-N 2 0 349.523 1.083 20 0 EDADRP C[C@@H](c1ccc(NC[C@@H](O)C[N@H+](C)C2CC2)cc1)N1CCOCC1 ZINC000579702642 448856740 /nfs/dbraw/zinc/85/67/40/448856740.db2.gz ZYNMUFHXLATOFM-HNAYVOBHSA-N 2 0 333.476 1.947 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@@H](CO)C[NH+](C)C ZINC000529390390 448854293 /nfs/dbraw/zinc/85/42/93/448854293.db2.gz YOOHCHJXMJDOCC-GUDVDZBRSA-N 2 0 347.503 1.573 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000592492561 448862502 /nfs/dbraw/zinc/86/25/02/448862502.db2.gz AKSDZVNKPJZYHZ-HUUCEWRRSA-N 2 0 336.480 1.466 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)CC1 ZINC000568862687 448929843 /nfs/dbraw/zinc/92/98/43/448929843.db2.gz STBMUNNNMJVFAY-HNNXBMFYSA-N 2 0 334.468 1.024 20 0 EDADRP CCOc1ccc(OC[C@H](O)C[NH2+][C@@H]2CN(C3CC3)C[C@@H]2C)cc1 ZINC000574685017 448931855 /nfs/dbraw/zinc/93/18/55/448931855.db2.gz XUIXBPNZGRGVGT-ZSZQSSIHSA-N 2 0 334.460 1.897 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000574735770 448943266 /nfs/dbraw/zinc/94/32/66/448943266.db2.gz FAPSVYVZTSMMJA-MRXNPFEDSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000569352556 449010549 /nfs/dbraw/zinc/01/05/49/449010549.db2.gz UOTOQRXGZCXZJU-IUGQGLEPSA-N 2 0 327.513 1.167 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCOCC1 ZINC000582120875 449016977 /nfs/dbraw/zinc/01/69/77/449016977.db2.gz WVAIBMXSPOFSEC-DZKIICNBSA-N 2 0 328.501 1.548 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)COCc1ccccc1 ZINC000521863238 449020562 /nfs/dbraw/zinc/02/05/62/449020562.db2.gz VBDBHZTULBGDHK-VAMGGRTRSA-N 2 0 348.487 1.532 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC12CCOCC2 ZINC000575310831 449073107 /nfs/dbraw/zinc/07/31/07/449073107.db2.gz BFTBYPXFYLDLAP-GOSISDBHSA-N 2 0 343.471 1.202 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592961331 449085325 /nfs/dbraw/zinc/08/53/25/449085325.db2.gz LBGXDQHFTXCZMU-ZNMIVQPWSA-N 2 0 331.464 1.418 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[NH+](C)CC1 ZINC000599923676 449110040 /nfs/dbraw/zinc/11/00/40/449110040.db2.gz LQVLMUNQZTXSLC-CYBMUJFWSA-N 2 0 326.510 1.398 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCCC[NH+]2CCC(O)CC2)o1 ZINC000605543241 449393534 /nfs/dbraw/zinc/39/35/34/449393534.db2.gz JJBQNNLZIFYMMY-UHFFFAOYSA-N 2 0 337.464 1.698 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000606625556 449491517 /nfs/dbraw/zinc/49/15/17/449491517.db2.gz RPXUXQPEBFLVRN-RDJZCZTQSA-N 2 0 340.512 1.373 20 0 EDADRP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1CC[NH+](C)CC1 ZINC000606703445 449512517 /nfs/dbraw/zinc/51/25/17/449512517.db2.gz URZWIBYRALEXDV-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000607235079 449588499 /nfs/dbraw/zinc/58/84/99/449588499.db2.gz ZSDNHSULKBUGAU-QGZVFWFLSA-N 3 0 341.544 1.243 20 0 EDADRP C[NH+](C)CCN(CC(=O)OC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC000612427394 449697662 /nfs/dbraw/zinc/69/76/62/449697662.db2.gz XPCOWLKJLBZBJJ-UHFFFAOYSA-N 2 0 341.496 1.450 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCC[C@H]([NH3+])Cc3ccccc3)c21 ZINC000602586439 449687737 /nfs/dbraw/zinc/68/77/37/449687737.db2.gz BTVOTYWLMXRBNZ-CVEARBPZSA-N 2 0 341.459 1.409 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595008227 449839934 /nfs/dbraw/zinc/83/99/34/449839934.db2.gz STEVEEHRECDVJL-HZPDHXFCSA-N 2 0 327.513 1.970 20 0 EDADRP COC(=O)[C@@H](CC(C)C)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878097 449886495 /nfs/dbraw/zinc/88/64/95/449886495.db2.gz UTOBRBLVQZGXDD-OAHLLOKOSA-N 2 0 339.480 1.108 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CCCO1 ZINC000608629533 449890341 /nfs/dbraw/zinc/89/03/41/449890341.db2.gz NJHPYXYUKYEBCK-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000612864015 449916639 /nfs/dbraw/zinc/91/66/39/449916639.db2.gz VBMCIVRBQDDSID-VQIMIIECSA-N 2 0 346.475 1.883 20 0 EDADRP CC[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000612868223 449917752 /nfs/dbraw/zinc/91/77/52/449917752.db2.gz PUFOUQPWOLIPLB-IEBWSBKVSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612961876 449957148 /nfs/dbraw/zinc/95/71/48/449957148.db2.gz CSBKXTKTVUQIKF-GOSISDBHSA-N 2 0 342.487 1.876 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CC34CC[NH2+]CC4)CC2)c1 ZINC000612970970 449964171 /nfs/dbraw/zinc/96/41/71/449964171.db2.gz RIIGBQKJFYWXNE-HNNXBMFYSA-N 2 0 345.447 1.064 20 0 EDADRP CC(C)[C@@H](C(=O)NCCCN1CCC[N@H+](C)CC1)[NH+]1CCCCC1 ZINC000603899760 450372100 /nfs/dbraw/zinc/37/21/00/450372100.db2.gz HTTASVTWSZITCG-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[NH2+]1 ZINC000625865598 450523890 /nfs/dbraw/zinc/52/38/90/450523890.db2.gz SHEOZRZALCLDPA-FZMZJTMJSA-N 2 0 333.436 1.109 20 0 EDADRP CC(C)C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475593 450527516 /nfs/dbraw/zinc/52/75/16/450527516.db2.gz UAKUJIRUKTVNCH-CVEARBPZSA-N 2 0 326.529 1.541 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)n1 ZINC000620937858 450564636 /nfs/dbraw/zinc/56/46/36/450564636.db2.gz DXNPOIAAFGYSPW-UHFFFAOYSA-N 2 0 333.480 1.297 20 0 EDADRP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CN1CCOCC1 ZINC000626062256 450565911 /nfs/dbraw/zinc/56/59/11/450565911.db2.gz MVJBLQNORHCPEW-IBGZPJMESA-N 2 0 335.492 1.263 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CCO1 ZINC000620966614 450566697 /nfs/dbraw/zinc/56/66/97/450566697.db2.gz KENOKSHSIJYMND-GOSISDBHSA-N 2 0 333.476 1.931 20 0 EDADRP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1)[C@H]1CCSC1 ZINC000621107754 450581948 /nfs/dbraw/zinc/58/19/48/450581948.db2.gz LXQRFLGBULXICT-CVEARBPZSA-N 2 0 325.522 1.662 20 0 EDADRP Cc1ccc2ncc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2c1 ZINC000629510307 450720734 /nfs/dbraw/zinc/72/07/34/450720734.db2.gz BZUFCXBRUXOBCI-INIZCTEOSA-N 2 0 326.444 1.830 20 0 EDADRP CCN(CC[NH3+])CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000629557702 450734680 /nfs/dbraw/zinc/73/46/80/450734680.db2.gz DEOYSKKKHREQAW-UHFFFAOYSA-N 2 0 332.492 1.310 20 0 EDADRP O[C@H](C[NH2+]CCc1ccc(OCC(F)(F)F)nc1)C[NH+]1CCCC1 ZINC000629573787 450744437 /nfs/dbraw/zinc/74/44/37/450744437.db2.gz ASNNBSMHRXTUQK-CQSZACIVSA-N 2 0 347.381 1.612 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590601 450752315 /nfs/dbraw/zinc/75/23/15/450752315.db2.gz WBJDNZGNASXEIZ-RDJZCZTQSA-N 2 0 325.497 1.772 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCCN2CCN(c3ccccc3)CC2)C1 ZINC000635253757 450784554 /nfs/dbraw/zinc/78/45/54/450784554.db2.gz MKASJMRCEUFJNQ-QGZVFWFLSA-N 2 0 330.476 1.267 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)CC[C@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000621642213 450808212 /nfs/dbraw/zinc/80/82/12/450808212.db2.gz HMJBYPROVIHZMI-XDNAFOTISA-N 2 0 337.508 1.866 20 0 EDADRP CCCn1nccc1NC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826216 450800009 /nfs/dbraw/zinc/80/00/09/450800009.db2.gz HYEJAIZOYJGZBE-HZPDHXFCSA-N 2 0 333.480 1.943 20 0 EDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830079 450801975 /nfs/dbraw/zinc/80/19/75/450801975.db2.gz IXOVCWBMPFYEBU-ARFHVFGLSA-N 2 0 333.480 1.424 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)C1 ZINC000624614477 450924797 /nfs/dbraw/zinc/92/47/97/450924797.db2.gz SPKARDQEFUSIFX-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635448100 450949337 /nfs/dbraw/zinc/94/93/37/450949337.db2.gz CLEVNQKPBOGPAR-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC2)CC1 ZINC000635458907 450959437 /nfs/dbraw/zinc/95/94/37/450959437.db2.gz WSIVEGFRQUYCOM-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000632016793 450970983 /nfs/dbraw/zinc/97/09/83/450970983.db2.gz DJRJNGSURWHPGW-UHFFFAOYSA-N 2 0 339.505 1.870 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000632016884 450971045 /nfs/dbraw/zinc/97/10/45/450971045.db2.gz GLNMVJSVXOORHI-INIZCTEOSA-N 2 0 329.510 1.220 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCOCC1 ZINC000626916496 451002394 /nfs/dbraw/zinc/00/23/94/451002394.db2.gz GXSGTSPLCHOGOA-KRWDZBQOSA-N 2 0 346.475 1.631 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000626923052 451006218 /nfs/dbraw/zinc/00/62/18/451006218.db2.gz KHCZALYLULWDKU-DGCLKSJQSA-N 2 0 336.402 1.639 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626924577 451007254 /nfs/dbraw/zinc/00/72/54/451007254.db2.gz ANRVBBSVBOYXJI-UHFFFAOYSA-N 2 0 348.491 1.789 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000626938324 451019267 /nfs/dbraw/zinc/01/92/67/451019267.db2.gz CNONFLCZHNFBAQ-UHFFFAOYSA-N 2 0 348.491 1.440 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@H]2COCC[NH2+]2)C1 ZINC000626937701 451019423 /nfs/dbraw/zinc/01/94/23/451019423.db2.gz XAGOSUSKMPMYSY-XHSDSOJGSA-N 2 0 326.485 1.032 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)NC2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000626944756 451024471 /nfs/dbraw/zinc/02/44/71/451024471.db2.gz APNSDHGZBKPXEG-WMLDXEAASA-N 2 0 326.485 1.304 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1C[C@H]([NH3+])C[C@@H]1C)[NH+]1CCCC1 ZINC000635526828 451024677 /nfs/dbraw/zinc/02/46/77/451024677.db2.gz CTIFPYLEDLMOTI-UXLLHSPISA-N 2 0 346.475 1.963 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NCCOCCC[NH3+])[NH+]2CCCC2)o1 ZINC000626963473 451037673 /nfs/dbraw/zinc/03/76/73/451037673.db2.gz PNBXPRYFITWXLC-HNNXBMFYSA-N 2 0 338.452 1.390 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000622096959 451041738 /nfs/dbraw/zinc/04/17/38/451041738.db2.gz JANCLGSGDZSVAF-MRXNPFEDSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000626970899 451042131 /nfs/dbraw/zinc/04/21/31/451042131.db2.gz VVUIIIUZFYNJKF-WBVHZDCISA-N 2 0 348.491 1.609 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000626972215 451043242 /nfs/dbraw/zinc/04/32/42/451043242.db2.gz ZJLZSDDTNCGVQB-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000633865063 451052583 /nfs/dbraw/zinc/05/25/83/451052583.db2.gz BHARWPJTAUKPST-HZPDHXFCSA-N 2 0 339.528 1.183 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000626993970 451059345 /nfs/dbraw/zinc/05/93/45/451059345.db2.gz SGRRBIUKRGGACQ-AEFFLSMTSA-N 2 0 348.491 1.432 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000626995513 451060843 /nfs/dbraw/zinc/06/08/43/451060843.db2.gz VPPQNJPIXFIOKK-FUHWJXTLSA-N 2 0 348.491 1.704 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000632141050 451066617 /nfs/dbraw/zinc/06/66/17/451066617.db2.gz NYSILCKCWIPMAR-UHFFFAOYSA-N 2 0 341.521 1.768 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H](C)C1 ZINC000635572592 451072040 /nfs/dbraw/zinc/07/20/40/451072040.db2.gz MFBKAMYJQKYPBS-ZACQAIPSSA-N 2 0 325.497 1.581 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627008386 451072589 /nfs/dbraw/zinc/07/25/89/451072589.db2.gz GRIZKDFSQOQYKT-DLBZAZTESA-N 2 0 331.464 1.738 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000627011244 451075780 /nfs/dbraw/zinc/07/57/80/451075780.db2.gz ZRJBSOJGSYWGCA-FHLIZLRMSA-N 2 0 344.459 1.634 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C[NH2+]1 ZINC000627011972 451076843 /nfs/dbraw/zinc/07/68/43/451076843.db2.gz NVBOMNGUORKQMP-JLSDUUJJSA-N 2 0 346.475 1.193 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000627015776 451080878 /nfs/dbraw/zinc/08/08/78/451080878.db2.gz BJRFHDQYJZSMJG-QGTPRVQTSA-N 2 0 330.476 1.947 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627023587 451087554 /nfs/dbraw/zinc/08/75/54/451087554.db2.gz YNLYSVBSQBKOOY-QGZVFWFLSA-N 2 0 346.475 1.316 20 0 EDADRP C[C@H](NC(=O)NCC1([NH3+])CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000627033826 451093174 /nfs/dbraw/zinc/09/31/74/451093174.db2.gz VTHRHGSTICBIPT-GOEBONIOSA-N 2 0 334.464 1.485 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627038721 451095522 /nfs/dbraw/zinc/09/55/22/451095522.db2.gz LZHNOGUJBAIELE-DOTOQJQBSA-N 2 0 334.464 1.314 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NCCNc1cc(C)nc(C(C)C)n1 ZINC000627080322 451114368 /nfs/dbraw/zinc/11/43/68/451114368.db2.gz PJQVIDSYRSJCID-AWEZNQCLSA-N 2 0 336.484 2.137 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc2ccccc2c1 ZINC000627082546 451115207 /nfs/dbraw/zinc/11/52/07/451115207.db2.gz GSMABZPUMCFSMG-SJORKVTESA-N 2 0 328.416 1.127 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000627086363 451118484 /nfs/dbraw/zinc/11/84/84/451118484.db2.gz RALPSOIQIAXBDZ-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCC2([NH3+])CCCCCC2)CC12CCOCC2 ZINC000634047455 451165712 /nfs/dbraw/zinc/16/57/12/451165712.db2.gz JSSJTRLJEJHPBZ-OAHLLOKOSA-N 2 0 338.496 1.435 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)c2ccc(C[NH+](C)C)nc2)CCCO1 ZINC000622556829 451169429 /nfs/dbraw/zinc/16/94/29/451169429.db2.gz QNCQVPZKSXSGNR-HNNXBMFYSA-N 2 0 334.464 1.374 20 0 EDADRP Cc1ncc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)o1 ZINC000628213667 451184779 /nfs/dbraw/zinc/18/47/79/451184779.db2.gz SLFVVJIGDRQKCA-UHFFFAOYSA-N 2 0 330.436 1.465 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000638098660 451262593 /nfs/dbraw/zinc/26/25/93/451262593.db2.gz CEHPEFMDAVAMST-BMGDILEWSA-N 2 0 331.460 1.614 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCCC1 ZINC000636524756 451266849 /nfs/dbraw/zinc/26/68/49/451266849.db2.gz UPRQRSRWOMWVCC-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC000638101831 451269668 /nfs/dbraw/zinc/26/96/68/451269668.db2.gz QKDXXGDMNGNAFP-LNLFQRSKSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638118839 451287251 /nfs/dbraw/zinc/28/72/51/451287251.db2.gz DTIMZTWKMRSDIK-PBHICJAKSA-N 2 0 339.443 1.576 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638116010 451285273 /nfs/dbraw/zinc/28/52/73/451285273.db2.gz BZUIZGHBKKMVTL-AOIWGVFYSA-N 2 0 331.460 1.534 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000638137381 451309824 /nfs/dbraw/zinc/30/98/24/451309824.db2.gz JQMWTPOMPBVORZ-HKUYNNGSSA-N 2 0 346.475 1.140 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000638139588 451314196 /nfs/dbraw/zinc/31/41/96/451314196.db2.gz MSKLFAKVOFZOFT-QGZVFWFLSA-N 2 0 338.540 1.816 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638203330 451353513 /nfs/dbraw/zinc/35/35/13/451353513.db2.gz FATKNDRBHIVJIC-DLBZAZTESA-N 2 0 344.503 1.579 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928381 451372636 /nfs/dbraw/zinc/37/26/36/451372636.db2.gz FMYOPRZFZZAXOB-XKGZKEIXSA-N 2 0 345.487 1.591 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@@H]3CCCC[N@H+](C)C3)n2)CC1 ZINC000628750542 451396052 /nfs/dbraw/zinc/39/60/52/451396052.db2.gz STVOLWQZBAJTGW-INIZCTEOSA-N 2 0 345.491 1.295 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000638309897 451423701 /nfs/dbraw/zinc/42/37/01/451423701.db2.gz QLNIOUQXGIGRDJ-SZMVWBNQSA-N 2 0 331.460 1.508 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638349428 451451704 /nfs/dbraw/zinc/45/17/04/451451704.db2.gz LXGDNYBIPOPIJX-JFIYKMOQSA-N 2 0 325.497 1.329 20 0 EDADRP COc1ccc(CN2CC[C@H]2C(=O)N(C)C[C@@H]2CCC[N@@H+]2C)cc1 ZINC000636052370 451468152 /nfs/dbraw/zinc/46/81/52/451468152.db2.gz CQIIUICJNGSMAU-WMZOPIPTSA-N 2 0 331.460 1.822 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCCC[NH2+]C3CC3)ccc2[nH]c1=O ZINC000638374389 451470096 /nfs/dbraw/zinc/47/00/96/451470096.db2.gz KXTNAMBPPVXJNG-UHFFFAOYSA-N 2 0 345.447 1.175 20 0 EDADRP O[C@]1(CN[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+](Cc2ccccc2)C1 ZINC000634699930 451473787 /nfs/dbraw/zinc/47/37/87/451473787.db2.gz QQYWZRFDBOJUOU-AQNXPRMDSA-N 2 0 329.488 1.840 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000638391920 451482450 /nfs/dbraw/zinc/48/24/50/451482450.db2.gz VPJQJPWQAJROME-RCCFBDPRSA-N 2 0 331.460 1.331 20 0 EDADRP C[C@@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000634710610 451489061 /nfs/dbraw/zinc/48/90/61/451489061.db2.gz BHRGGRJTRZHSAZ-YLJYHZDGSA-N 2 0 329.488 1.863 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000638402396 451491426 /nfs/dbraw/zinc/49/14/26/451491426.db2.gz LTPSIAVKQLUAIQ-DOTOQJQBSA-N 2 0 333.476 1.802 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000638423578 451506788 /nfs/dbraw/zinc/50/67/88/451506788.db2.gz ZMWMHXZGHUGDBO-MRXNPFEDSA-N 2 0 340.439 1.390 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000636123961 451529418 /nfs/dbraw/zinc/52/94/18/451529418.db2.gz SYBTZIPPDOMLNT-KBAYOESNSA-N 2 0 331.460 1.438 20 0 EDADRP C[N@H+](CC(=O)NCC1CC[NH+](C2CCOCC2)CC1)CC(C)(C)C ZINC000636157590 451552761 /nfs/dbraw/zinc/55/27/61/451552761.db2.gz OCKQMBNQINXDBG-UHFFFAOYSA-N 2 0 339.524 1.972 20 0 EDADRP CO[C@H](C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000638531021 451560749 /nfs/dbraw/zinc/56/07/49/451560749.db2.gz ZYRODXAPAJLEBS-QGZVFWFLSA-N 2 0 333.480 1.393 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638548138 451571075 /nfs/dbraw/zinc/57/10/75/451571075.db2.gz BHYHREZMJNGETJ-KRWDZBQOSA-N 3 0 340.556 1.085 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000638546669 451571694 /nfs/dbraw/zinc/57/16/94/451571694.db2.gz GGKCHCFYSNTOTN-MELADBBJSA-N 2 0 329.366 1.715 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[NH2+]C2CCCCCC2)C[C@H](C)[N@H+]1CCO ZINC000638718488 451664526 /nfs/dbraw/zinc/66/45/26/451664526.db2.gz CPFHGPJTDRMTOQ-IYBDPMFKSA-N 2 0 340.512 1.395 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)cc2)CC1 ZINC000638644672 451627661 /nfs/dbraw/zinc/62/76/61/451627661.db2.gz RRKKGWIPVZWGES-NVXWUHKLSA-N 2 0 330.476 1.699 20 0 EDADRP C[C@]([NH3+])(C(=O)NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000638663631 451639749 /nfs/dbraw/zinc/63/97/49/451639749.db2.gz QTDMUHSILNLPQV-CQSZACIVSA-N 2 0 344.253 1.105 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632908342 451644571 /nfs/dbraw/zinc/64/45/71/451644571.db2.gz HTWAIAYINRDGEN-HOCLYGCPSA-N 2 0 329.448 1.325 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000638675554 451645685 /nfs/dbraw/zinc/64/56/85/451645685.db2.gz VUBYLUNGKIXSOZ-CQSZACIVSA-N 2 0 344.253 1.057 20 0 EDADRP CS(=O)(=O)[C@H]1CCCC[C@@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010040 451648394 /nfs/dbraw/zinc/64/83/94/451648394.db2.gz PUBNUWSUSWZVFY-GJZGRUSLSA-N 2 0 338.477 1.259 20 0 EDADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635010042 451648608 /nfs/dbraw/zinc/64/86/08/451648608.db2.gz PUBNUWSUSWZVFY-HUUCEWRRSA-N 2 0 338.477 1.259 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638783019 451690289 /nfs/dbraw/zinc/69/02/89/451690289.db2.gz FWZQXAKKNGLNNM-SFHVURJKSA-N 2 0 329.444 1.521 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]cc2NC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638811252 451699095 /nfs/dbraw/zinc/69/90/95/451699095.db2.gz NTEVUISTEOLXOR-UHFFFAOYSA-N 3 0 347.507 1.481 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000638835518 451705498 /nfs/dbraw/zinc/70/54/98/451705498.db2.gz MECAWRLEZOAYSQ-NJAFHUGGSA-N 2 0 331.460 1.249 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000638979802 451744787 /nfs/dbraw/zinc/74/47/87/451744787.db2.gz IPRNCXBCXKJFPK-HNNXBMFYSA-N 2 0 348.495 1.539 20 0 EDADRP O=C(CCCc1nccs1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985211 451746260 /nfs/dbraw/zinc/74/62/60/451746260.db2.gz CLOOCVFWXNBZOY-UHFFFAOYSA-N 2 0 331.445 1.909 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641090302 451747411 /nfs/dbraw/zinc/74/74/11/451747411.db2.gz GNICNMYKZZIWKN-SJORKVTESA-N 3 0 339.528 1.186 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1Cc2cc(F)ccc2O1 ZINC000638986662 451747453 /nfs/dbraw/zinc/74/74/53/451747453.db2.gz XBEBOEBPNKJPSX-INIZCTEOSA-N 2 0 342.374 1.573 20 0 EDADRP O=C(COc1ccccc1F)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987277 451747545 /nfs/dbraw/zinc/74/75/45/451747545.db2.gz ODWJZUTYUYHEQV-UHFFFAOYSA-N 2 0 330.363 1.648 20 0 EDADRP O=C(Cc1ccc(F)c(F)c1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988330 451747796 /nfs/dbraw/zinc/74/77/96/451747796.db2.gz VXAGVUKEAPAHEX-UHFFFAOYSA-N 2 0 332.354 1.951 20 0 EDADRP CO[C@@]1(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCOC1 ZINC000639044195 451756567 /nfs/dbraw/zinc/75/65/67/451756567.db2.gz GSGZEBZXCZDHHE-GOSISDBHSA-N 2 0 325.497 1.141 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000644514600 451833054 /nfs/dbraw/zinc/83/30/54/451833054.db2.gz PDPVERPWZDPRGI-OAHLLOKOSA-N 2 0 343.924 1.630 20 0 EDADRP Cc1cc(NCCNC(=O)N2CCN(C3CC3)CC2)nc(C(C)C)n1 ZINC000637413828 451843259 /nfs/dbraw/zinc/84/32/59/451843259.db2.gz HRNIKKQIKUZNHB-UHFFFAOYSA-N 2 0 346.479 1.810 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@H]1CCC[NH+](CCc2ccccc2)C1 ZINC000646795492 451844768 /nfs/dbraw/zinc/84/47/68/451844768.db2.gz MQQPAIATMHFFDJ-IBGZPJMESA-N 2 0 347.503 1.636 20 0 EDADRP C[C@H]1OCC[C@@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639500301 451904843 /nfs/dbraw/zinc/90/48/43/451904843.db2.gz NGAFRVPCMBZYOD-NVXWUHKLSA-N 2 0 339.524 1.827 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649281557 451954693 /nfs/dbraw/zinc/95/46/93/451954693.db2.gz SXAFWKSWQKELQG-FVQHAEBGSA-N 2 0 333.863 1.886 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CN1CCCC[C@@H]([NH3+])C1=O)CC(C)C ZINC000649285381 451959086 /nfs/dbraw/zinc/95/90/86/451959086.db2.gz UIFQJHDSFFYUQY-JKSUJKDBSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649288461 451961603 /nfs/dbraw/zinc/96/16/03/451961603.db2.gz SBQHXMFZZCZUEB-APWZRJJASA-N 2 0 345.487 1.771 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)Cc1ccccc1 ZINC000649292577 451967654 /nfs/dbraw/zinc/96/76/54/451967654.db2.gz QTOKYLWODGFXQA-QZTJIDSGSA-N 2 0 333.476 1.292 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC000649306912 451984026 /nfs/dbraw/zinc/98/40/26/451984026.db2.gz ZBQAYFQYVZCUPM-DTDBQYNISA-N 2 0 347.507 1.268 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC000649311836 451989857 /nfs/dbraw/zinc/98/98/57/451989857.db2.gz TZIHSPSRERHSLJ-MSOLQXFVSA-N 2 0 347.507 1.412 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cn[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000649319247 451997401 /nfs/dbraw/zinc/99/74/01/451997401.db2.gz RZAFFLXGQYAQAS-GFCCVEGCSA-N 2 0 337.387 1.710 20 0 EDADRP CC(C)[C@H]1CN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000637663290 452006671 /nfs/dbraw/zinc/00/66/71/452006671.db2.gz QMFYQBBLZYPEBS-QGZVFWFLSA-N 2 0 348.495 1.954 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[NH+]4CCC3CC4)cn2)CC1 ZINC000637664549 452006718 /nfs/dbraw/zinc/00/67/18/452006718.db2.gz RMFIUXKKKXBEAH-UHFFFAOYSA-N 2 0 332.452 1.462 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642982541 452008943 /nfs/dbraw/zinc/00/89/43/452008943.db2.gz WUODRSWGPIRKSM-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639686906 452023291 /nfs/dbraw/zinc/02/32/91/452023291.db2.gz PJHSOYIUSLSIEU-QGZVFWFLSA-N 2 0 332.496 1.257 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345711 452025740 /nfs/dbraw/zinc/02/57/40/452025740.db2.gz LSBROGBIBFNFSJ-KXBFYZLASA-N 2 0 346.475 1.379 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649352618 452036942 /nfs/dbraw/zinc/03/69/42/452036942.db2.gz ADGSJYPDLQQNQC-GOSISDBHSA-N 2 0 344.503 1.301 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649377094 452050585 /nfs/dbraw/zinc/05/05/85/452050585.db2.gz LHQBJSMTCJDSBO-NXHRZFHOSA-N 2 0 328.460 1.897 20 0 EDADRP Cc1cc(N2CC[C@H]([N@@H+]3CCC4(C3)CC[NH+](C)CC4)C2=O)n(C)n1 ZINC000639758655 452097752 /nfs/dbraw/zinc/09/77/52/452097752.db2.gz XCQPQCNZIYDWGM-HNNXBMFYSA-N 2 0 331.464 1.252 20 0 EDADRP Nc1nc(N2CCC(C[NH+]3CCOCC3)CC2)c2c([nH+]1)CCCC2 ZINC000645125564 452165004 /nfs/dbraw/zinc/16/50/04/452165004.db2.gz SNVKFPNNXOZSDT-UHFFFAOYSA-N 2 0 331.464 1.486 20 0 EDADRP C[N@@H+]1CCC[C@H]1CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649610694 452166703 /nfs/dbraw/zinc/16/67/03/452166703.db2.gz YOCBHLADYUAKPX-SFTDATJTSA-N 2 0 342.531 1.973 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)NCCC[NH+]1CCCCC1)CCO2 ZINC000645130762 452168315 /nfs/dbraw/zinc/16/83/15/452168315.db2.gz YVGPOXHJMUPBPV-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000651992741 452210063 /nfs/dbraw/zinc/21/00/63/452210063.db2.gz BECWLVOCLFIWHK-MRXNPFEDSA-N 2 0 331.460 1.728 20 0 EDADRP Nc1cnccc1C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000641707419 452213293 /nfs/dbraw/zinc/21/32/93/452213293.db2.gz LLCLKGILOAYCOX-UHFFFAOYSA-N 2 0 339.487 1.961 20 0 EDADRP Cc1cc(NC(=O)N2CCN(CCc3cnccn3)CC2)c(C)cn1 ZINC000639901812 452226778 /nfs/dbraw/zinc/22/67/78/452226778.db2.gz LMRYJCNQMZAWOT-UHFFFAOYSA-N 2 0 340.431 1.303 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]Cc1ccncc1N ZINC000641742502 452231706 /nfs/dbraw/zinc/23/17/06/452231706.db2.gz MMZMLVIBPUDRQZ-SFHVURJKSA-N 2 0 341.459 1.043 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000659425938 452268387 /nfs/dbraw/zinc/26/83/87/452268387.db2.gz SFMIJECXIUSLIV-RHSMWYFYSA-N 2 0 334.464 1.739 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000659426818 452269441 /nfs/dbraw/zinc/26/94/41/452269441.db2.gz DWRVJTGTCVDGJW-BRWVUGGUSA-N 2 0 336.455 1.932 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000659434852 452281943 /nfs/dbraw/zinc/28/19/43/452281943.db2.gz CWJJUACMVMNOPB-WMZOPIPTSA-N 2 0 347.507 1.272 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659444636 452293706 /nfs/dbraw/zinc/29/37/06/452293706.db2.gz MPMMUPJRYHWIQP-UHFFFAOYSA-N 2 0 332.448 1.260 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@H](C)C1 ZINC000659456180 452306951 /nfs/dbraw/zinc/30/69/51/452306951.db2.gz IZLFRJXARVKZAQ-CABCVRRESA-N 2 0 328.501 1.502 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C)C(C)(C)C2)CCCO1 ZINC000641826605 452307687 /nfs/dbraw/zinc/30/76/87/452307687.db2.gz NZJXKDWRSDEEIF-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659457747 452310622 /nfs/dbraw/zinc/31/06/22/452310622.db2.gz KFFATODAFKORKV-QZTJIDSGSA-N 2 0 334.508 1.892 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659459880 452312957 /nfs/dbraw/zinc/31/29/57/452312957.db2.gz HDXJRJXAFBYYAU-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000638049160 452317165 /nfs/dbraw/zinc/31/71/65/452317165.db2.gz IYLMZIQDUHVMJF-KRWDZBQOSA-N 2 0 332.492 1.436 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cc2n1 ZINC000657535723 452319859 /nfs/dbraw/zinc/31/98/59/452319859.db2.gz QAOBTUNLXLEMAF-LSDHHAIUSA-N 2 0 341.415 1.324 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000638050414 452319988 /nfs/dbraw/zinc/31/99/88/452319988.db2.gz WCZHRQNFRZLCOA-HKUYNNGSSA-N 2 0 347.459 1.327 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1 ZINC000638051014 452323273 /nfs/dbraw/zinc/32/32/73/452323273.db2.gz AXSQLFQQAIPRPA-ZQIUZPCESA-N 2 0 337.489 1.768 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1C[NH3+] ZINC000652136134 452329528 /nfs/dbraw/zinc/32/95/28/452329528.db2.gz GNFISQGEGDDTRW-KZNAEPCWSA-N 2 0 348.491 1.165 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638058899 452347914 /nfs/dbraw/zinc/34/79/14/452347914.db2.gz CNRAXKMFNVNROO-GOSISDBHSA-N 2 0 332.492 1.388 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659493909 452356824 /nfs/dbraw/zinc/35/68/24/452356824.db2.gz YFKSMMPVJLBBBY-RKTXRCNFSA-N 2 0 334.439 1.730 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638062991 452357432 /nfs/dbraw/zinc/35/74/32/452357432.db2.gz KWOSWTSCSKVRJC-SJLPKXTDSA-N 2 0 335.448 1.010 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000638062958 452358288 /nfs/dbraw/zinc/35/82/88/452358288.db2.gz KOWPQNABNQPRNG-IEBWSBKVSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000647624607 452361737 /nfs/dbraw/zinc/36/17/37/452361737.db2.gz HKQHKLHPGYDZAY-PKOBYXMFSA-N 2 0 337.508 1.699 20 0 EDADRP CC[NH2+]CCCNC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659505894 452371989 /nfs/dbraw/zinc/37/19/89/452371989.db2.gz SPYYZYUPQYBDKN-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663654993 452394856 /nfs/dbraw/zinc/39/48/56/452394856.db2.gz MDTQPNIZRGVEHG-QAETUUGQSA-N 2 0 340.512 1.061 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079353 452395166 /nfs/dbraw/zinc/39/51/66/452395166.db2.gz SMIXFGGDAIPPIQ-QZTJIDSGSA-N 2 0 332.492 1.292 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079352 452396295 /nfs/dbraw/zinc/39/62/95/452396295.db2.gz SMIXFGGDAIPPIQ-MSOLQXFVSA-N 2 0 332.492 1.292 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000659567219 452420845 /nfs/dbraw/zinc/42/08/45/452420845.db2.gz SJDKWEHWNRQQOB-CVEARBPZSA-N 2 0 345.491 1.685 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@H]1C ZINC000659582170 452438142 /nfs/dbraw/zinc/43/81/42/452438142.db2.gz QFIFDXFTHFBKDB-DLTLXFJOSA-N 2 0 334.439 1.663 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659590594 452448480 /nfs/dbraw/zinc/44/84/80/452448480.db2.gz BFMKRZPRCUADIN-BMGDILEWSA-N 2 0 348.466 1.864 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CCC[NH3+])cc1F ZINC000659598720 452456348 /nfs/dbraw/zinc/45/63/48/452456348.db2.gz VFYQJWRMUDRKKU-ZFWWWQNUSA-N 2 0 338.427 1.270 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000654412803 452466733 /nfs/dbraw/zinc/46/67/33/452466733.db2.gz BKYRPUOVBRXGGJ-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000652287837 452472297 /nfs/dbraw/zinc/47/22/97/452472297.db2.gz JUVNVELUPWMIFY-UHFFFAOYSA-N 2 0 334.464 1.316 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616098 452473160 /nfs/dbraw/zinc/47/31/60/452473160.db2.gz JAZWBQNXVWAMQF-ZJRDLVKKSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000652291776 452476902 /nfs/dbraw/zinc/47/69/02/452476902.db2.gz HFWPYDYWWCZGOX-SFHVURJKSA-N 2 0 330.476 1.937 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@]2(O)CCCOC2)[C@@H](C)C1 ZINC000652324551 452498562 /nfs/dbraw/zinc/49/85/62/452498562.db2.gz DWIKJHKMOACFPT-OKZBNKHCSA-N 2 0 328.497 1.645 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000659641163 452504550 /nfs/dbraw/zinc/50/45/50/452504550.db2.gz MQWUUBQEWKWQCD-IBGZPJMESA-N 2 0 334.508 1.894 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000654452814 452518182 /nfs/dbraw/zinc/51/81/82/452518182.db2.gz XTALQULWDZMQOC-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000647787858 452523238 /nfs/dbraw/zinc/52/32/38/452523238.db2.gz AGTLNTWYSGYQSD-FGTMMUONSA-N 3 0 329.492 1.311 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347660 452523774 /nfs/dbraw/zinc/52/37/74/452523774.db2.gz IDTBGKZBIQWLHV-GVDBMIGSSA-N 2 0 341.496 1.138 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349573 452525110 /nfs/dbraw/zinc/52/51/10/452525110.db2.gz SUXWCOIJSROOMY-SWBPCFCJSA-N 3 0 347.503 1.136 20 0 EDADRP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652350087 452525989 /nfs/dbraw/zinc/52/59/89/452525989.db2.gz FIUHTNMUZJNDEA-ZNMIVQPWSA-N 2 0 330.494 1.030 20 0 EDADRP CN1CCN(C(=O)CCN2CCOC[C@@H]2c2cccc(F)c2)CC1 ZINC000661735165 452535953 /nfs/dbraw/zinc/53/59/53/452535953.db2.gz DPIUHDYXBUKWEX-QGZVFWFLSA-N 2 0 335.423 1.363 20 0 EDADRP CCCN(CCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361874 452541292 /nfs/dbraw/zinc/54/12/92/452541292.db2.gz ROZJYVZVUBYWTB-GVDBMIGSSA-N 2 0 325.497 1.996 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362358 452544531 /nfs/dbraw/zinc/54/45/31/452544531.db2.gz FKXWGMPILRHQCW-IPMKNSEASA-N 2 0 345.487 1.972 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3C[C@H]([NH3+])CCO3)on2)cn1 ZINC000652364040 452545598 /nfs/dbraw/zinc/54/55/98/452545598.db2.gz VWMSCAWNPMFBKR-ZTFGCOKTSA-N 2 0 345.447 1.936 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000654514032 452589509 /nfs/dbraw/zinc/58/95/09/452589509.db2.gz UKOAOHUGDBUDKP-MRXNPFEDSA-N 2 0 335.496 1.687 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000654517207 452593929 /nfs/dbraw/zinc/59/39/29/452593929.db2.gz KRYRBAYDPVGNCA-MAEOIBBWSA-N 2 0 345.491 1.937 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)C1 ZINC000655825068 452597556 /nfs/dbraw/zinc/59/75/56/452597556.db2.gz VGLKTEBEHJVJCP-TXEJJXNPSA-N 2 0 331.869 1.417 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721496 452613649 /nfs/dbraw/zinc/61/36/49/452613649.db2.gz GWJXMRYJHROKJN-LSDHHAIUSA-N 2 0 338.496 1.143 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647881168 452621558 /nfs/dbraw/zinc/62/15/58/452621558.db2.gz KPJJLZGBUYSSSM-GXTWGEPZSA-N 2 0 332.366 1.986 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647881170 452621724 /nfs/dbraw/zinc/62/17/24/452621724.db2.gz KPJJLZGBUYSSSM-OCCSQVGLSA-N 2 0 332.366 1.986 20 0 EDADRP O=c1c2ccccc2ncn1CCN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647903851 452644147 /nfs/dbraw/zinc/64/41/47/452644147.db2.gz QXWPBPXTGQGBBO-DOTOQJQBSA-N 2 0 326.444 1.861 20 0 EDADRP CN1C(=O)CC[C@@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1=O ZINC000643802164 452671665 /nfs/dbraw/zinc/67/16/65/452671665.db2.gz OBFCEUKUUDXSAA-QGZVFWFLSA-N 2 0 345.443 1.398 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCCn2c3ccccc3[nH]c2=O)CC12CCOCC2 ZINC000647985695 452728847 /nfs/dbraw/zinc/72/88/47/452728847.db2.gz PBDZNOPADLEGIB-OAHLLOKOSA-N 2 0 344.459 1.819 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F)ccc1C[NH+](C)C ZINC000655957340 452735680 /nfs/dbraw/zinc/73/56/80/452735680.db2.gz VQUNXBXAWOILOD-LBPRGKRZSA-N 2 0 346.353 1.001 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)CC(C)C ZINC000647994348 452735759 /nfs/dbraw/zinc/73/57/59/452735759.db2.gz ZJLWFZUOEBQFMH-PMPSAXMXSA-N 2 0 328.501 1.059 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)C[C@H]2[NH3+])cn1 ZINC000643846309 452737106 /nfs/dbraw/zinc/73/71/06/452737106.db2.gz PLECJVCMYVANGW-FGTMMUONSA-N 2 0 347.507 1.751 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000655958103 452737346 /nfs/dbraw/zinc/73/73/46/452737346.db2.gz IDUVIXHQCSUMTA-IRXDYDNUSA-N 2 0 344.459 1.478 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000659855700 452738502 /nfs/dbraw/zinc/73/85/02/452738502.db2.gz JQYIPSZJNPIFHN-XWTMOSNGSA-N 2 0 327.513 1.261 20 0 EDADRP CO[C@H](C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@@H]1CCOC1 ZINC000659862989 452742505 /nfs/dbraw/zinc/74/25/05/452742505.db2.gz HELSXCVFZHLTFK-NCXUSEDFSA-N 2 0 339.524 1.528 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164800 452765078 /nfs/dbraw/zinc/76/50/78/452765078.db2.gz FQCXGKBZBBPZTB-GOSISDBHSA-N 2 0 328.464 1.954 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC([C@@H]3CCC[NH2+]3)CC2)cnn1C ZINC000648105359 452823709 /nfs/dbraw/zinc/82/37/09/452823709.db2.gz SVLLZCNIWKSJRO-SQNIBIBYSA-N 2 0 345.491 1.022 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652674899 452823720 /nfs/dbraw/zinc/82/37/20/452823720.db2.gz IRLCWABNCOVKBR-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cnn1C ZINC000648104853 452824589 /nfs/dbraw/zinc/82/45/89/452824589.db2.gz PTDKANJEBWAFMV-BGTYHANMSA-N 2 0 345.491 1.022 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]CC1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648115337 452831797 /nfs/dbraw/zinc/83/17/97/452831797.db2.gz NUUDYXZDMDIJQL-AEFFLSMTSA-N 2 0 330.476 1.800 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000648122842 452839218 /nfs/dbraw/zinc/83/92/18/452839218.db2.gz YVLFJNBHAURLJA-FHWLQOOXSA-N 2 0 345.487 1.421 20 0 EDADRP CCN(C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)[C@H]1CC[N@H+](C)C1 ZINC000658362590 452874177 /nfs/dbraw/zinc/87/41/77/452874177.db2.gz RUCQDXQXPVLFSN-INIZCTEOSA-N 2 0 346.475 1.548 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000648169625 452880046 /nfs/dbraw/zinc/88/00/46/452880046.db2.gz CKVCYWFYMXWNBO-SJORKVTESA-N 2 0 331.460 1.946 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000648176084 452887051 /nfs/dbraw/zinc/88/70/51/452887051.db2.gz XHJFMUJUBHJJPX-MUQADHOPSA-N 2 0 347.507 1.636 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648176110 452888272 /nfs/dbraw/zinc/88/82/72/452888272.db2.gz ZENSQRYTFLMUIX-SOXILONMSA-N 2 0 331.464 1.012 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCS[C@H]1C ZINC000645915859 452895929 /nfs/dbraw/zinc/89/59/29/452895929.db2.gz HHVUFHIEWMEVHF-XHSDSOJGSA-N 2 0 342.553 1.938 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000664225685 452902751 /nfs/dbraw/zinc/90/27/51/452902751.db2.gz LWVJDXZLQQSKLO-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652814137 452972048 /nfs/dbraw/zinc/97/20/48/452972048.db2.gz RXWOHBOENKZNMH-OALUTQOASA-N 2 0 345.487 1.829 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC2C[NH+](C)C2)CC1 ZINC000664303566 452980603 /nfs/dbraw/zinc/98/06/03/452980603.db2.gz QJTCLLXRJIXSFR-UHFFFAOYSA-N 2 0 326.485 1.079 20 0 EDADRP Cc1cccc(NC(=O)[C@@H]2CCC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000662261177 452991683 /nfs/dbraw/zinc/99/16/83/452991683.db2.gz TXXIXJKQBATIEX-CVEARBPZSA-N 2 0 344.459 1.562 20 0 EDADRP CN1CC[C@H]([NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccc(F)c(F)c1 ZINC000662281036 453005725 /nfs/dbraw/zinc/00/57/25/453005725.db2.gz HRGFMBHEIGITGJ-COXVUDFISA-N 2 0 337.414 1.821 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662341506 453058960 /nfs/dbraw/zinc/05/89/60/453058960.db2.gz QRFYENUTEOSHTR-HOTGVXAUSA-N 2 0 339.443 1.491 20 0 EDADRP C[NH+]1CCCN(Cc2cncc(CN3CCC[N@@H+](C)CC3)c2)CC1 ZINC000662379950 453090422 /nfs/dbraw/zinc/09/04/22/453090422.db2.gz XRTOTHBKGLVMES-UHFFFAOYSA-N 2 0 331.508 1.357 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3ccc4c(c3)NC(=O)CO4)C2)CC1 ZINC000646139646 453147804 /nfs/dbraw/zinc/14/78/04/453147804.db2.gz MWIWLIYVWPFPLQ-OAHLLOKOSA-N 2 0 344.459 1.276 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662453551 453160712 /nfs/dbraw/zinc/16/07/12/453160712.db2.gz CNTJWBBQAYPLAM-UHFFFAOYSA-N 2 0 348.495 1.589 20 0 EDADRP [NH3+][C@H](Cc1cn(CCC[NH+]2CCSCC2)nn1)Cc1ccccc1 ZINC000656450097 453192787 /nfs/dbraw/zinc/19/27/87/453192787.db2.gz LSKAPWJMAGSKIO-KRWDZBQOSA-N 2 0 345.516 1.830 20 0 EDADRP [NH3+]C[C@@H](O)CCc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468339 453205700 /nfs/dbraw/zinc/20/57/00/453205700.db2.gz LGDVIALVGKUMNG-WMZOPIPTSA-N 2 0 329.448 1.052 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334756 453223714 /nfs/dbraw/zinc/22/37/14/453223714.db2.gz QJMINHDJLZSMMM-UXHICEINSA-N 2 0 349.519 1.256 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000646214762 453227121 /nfs/dbraw/zinc/22/71/21/453227121.db2.gz IZNKMLBCUKLETK-GJZGRUSLSA-N 2 0 336.480 1.894 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662564048 453291016 /nfs/dbraw/zinc/29/10/16/453291016.db2.gz VMAXBYCSZUJAJB-UHFFFAOYSA-N 2 0 342.443 1.785 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653108908 453293144 /nfs/dbraw/zinc/29/31/44/453293144.db2.gz MAZOFKSAWIOKQF-ROUUACIJSA-N 2 0 328.460 1.693 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666978307 453299427 /nfs/dbraw/zinc/29/94/27/453299427.db2.gz WJVBGVXJAPNMOI-IRXDYDNUSA-N 2 0 338.496 1.364 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662573411 453299797 /nfs/dbraw/zinc/29/97/97/453299797.db2.gz BEZQXCNHDUTVCY-BHYGNILZSA-N 2 0 325.497 1.742 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000662572731 453300043 /nfs/dbraw/zinc/30/00/43/453300043.db2.gz AXBJSKGGQQTKBG-YXJHDRRASA-N 2 0 325.497 1.742 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)c2)CC1 ZINC000653125084 453318461 /nfs/dbraw/zinc/31/84/61/453318461.db2.gz SDSHBRZAHMXIOG-RBUKOAKNSA-N 2 0 342.487 1.903 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1(C)C ZINC000662594824 453321730 /nfs/dbraw/zinc/32/17/30/453321730.db2.gz SAVDFNXACWCVPT-FRQCXROJSA-N 2 0 337.508 1.757 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)o1 ZINC000646351952 453339439 /nfs/dbraw/zinc/33/94/39/453339439.db2.gz MQJGWVSPLSJBBL-OAHLLOKOSA-N 2 0 334.464 1.241 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)c1 ZINC000667045981 453360644 /nfs/dbraw/zinc/36/06/44/453360644.db2.gz KSFIIKBJMUAFQO-QGZVFWFLSA-N 2 0 344.459 1.561 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3C[C@@H]([NH+](C)C)C3)cc2)CC1 ZINC000655247230 453370977 /nfs/dbraw/zinc/37/09/77/453370977.db2.gz XUTYRXHVZSAJTE-UWUNEBHHSA-N 2 0 344.503 1.899 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)[NH+]1CCCCCC1 ZINC000653185120 453375289 /nfs/dbraw/zinc/37/52/89/453375289.db2.gz WSJLGAFYKPQJGG-VSZNYVQBSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CCCO1 ZINC000664756835 453381319 /nfs/dbraw/zinc/38/13/19/453381319.db2.gz XWFUCVMYEBIECX-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662668216 453382590 /nfs/dbraw/zinc/38/25/90/453382590.db2.gz IWXYOMOOIBLCLH-HZPDHXFCSA-N 2 0 348.495 1.587 20 0 EDADRP CC(C)C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[NH+](C)C ZINC000662672493 453387966 /nfs/dbraw/zinc/38/79/66/453387966.db2.gz ABEWKXNKBULCQS-CABCVRRESA-N 2 0 336.484 1.299 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000662673524 453390034 /nfs/dbraw/zinc/39/00/34/453390034.db2.gz MKZHJTJMESLWPW-GASCZTMLSA-N 2 0 331.460 1.561 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667078572 453392347 /nfs/dbraw/zinc/39/23/47/453392347.db2.gz ZGJGDNSLYLFDOB-HOCLYGCPSA-N 2 0 330.432 1.027 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cc1 ZINC000667095446 453402009 /nfs/dbraw/zinc/40/20/09/453402009.db2.gz ZFJHIPGCMOUTTA-INIZCTEOSA-N 2 0 332.448 1.334 20 0 EDADRP CO[C@H](C)c1nsc(NC(=O)NCCN(C)CCC[NH+](C)C)n1 ZINC000667110504 453409938 /nfs/dbraw/zinc/40/99/38/453409938.db2.gz FRBZPDJIFWSFHZ-LLVKDONJSA-N 2 0 344.485 1.251 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000662697383 453418525 /nfs/dbraw/zinc/41/85/25/453418525.db2.gz FZAIZQHIXIBAOC-HOTGVXAUSA-N 2 0 346.479 1.293 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000662701222 453422559 /nfs/dbraw/zinc/42/25/59/453422559.db2.gz OOQNWIZEHITZMP-SQNIBIBYSA-N 2 0 331.460 1.612 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662711383 453435869 /nfs/dbraw/zinc/43/58/69/453435869.db2.gz AOBZSWSNQMBTOG-OALUTQOASA-N 2 0 345.487 1.721 20 0 EDADRP O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)[C@@H]1C[NH2+]CCO1 ZINC000653253473 453436424 /nfs/dbraw/zinc/43/64/24/453436424.db2.gz VSNNWEGWTLEPRU-INIZCTEOSA-N 2 0 335.473 1.801 20 0 EDADRP COCC1(CNC(=O)Nc2cnn(-c3cc[nH+]cc3)c2)CC[NH2+]CC1 ZINC000667148656 453438335 /nfs/dbraw/zinc/43/83/35/453438335.db2.gz LARSYJABBMGMNU-UHFFFAOYSA-N 2 0 344.419 1.405 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000653258058 453440307 /nfs/dbraw/zinc/44/03/07/453440307.db2.gz CORSQCVPCCUDPW-PVAVHDDUSA-N 2 0 328.416 1.835 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3cc(C(C)(C)[NH3+])no3)CC2)c1 ZINC000662719069 453443957 /nfs/dbraw/zinc/44/39/57/453443957.db2.gz WDCGBNAFROACQJ-UHFFFAOYSA-N 2 0 345.403 1.234 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccco1 ZINC000664874709 453457547 /nfs/dbraw/zinc/45/75/47/453457547.db2.gz OXFPCANCXLUPGZ-XGUBFFRZSA-N 2 0 338.452 1.025 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654662 453490458 /nfs/dbraw/zinc/49/04/58/453490458.db2.gz HRMKZCRVHGOLFG-AZUAARDMSA-N 2 0 348.487 1.990 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)[C@H]3C[C@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000662800171 453535330 /nfs/dbraw/zinc/53/53/30/453535330.db2.gz ZKQYQMVGEVXDGR-USJZOSNVSA-N 2 0 329.444 1.827 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662823793 453552342 /nfs/dbraw/zinc/55/23/42/453552342.db2.gz XDRVMHCOJPMASP-HNNXBMFYSA-N 2 0 334.468 1.007 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662835843 453562057 /nfs/dbraw/zinc/56/20/57/453562057.db2.gz SCAYKHACRJWIAT-ZACQAIPSSA-N 2 0 331.464 1.554 20 0 EDADRP Cc1cc(NC(=O)NCC23CC(C2)C[NH2+]3)n(C2CC[NH+](C)CC2)n1 ZINC000658998580 453573400 /nfs/dbraw/zinc/57/34/00/453573400.db2.gz FXISIDGQUABSNH-UHFFFAOYSA-N 2 0 332.452 1.332 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)on1 ZINC000662867539 453579690 /nfs/dbraw/zinc/57/96/90/453579690.db2.gz BEIJQBWSLXFCBT-ZIAGYGMSSA-N 2 0 346.406 1.883 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CC[NH2+]CC2)cc1 ZINC000662868321 453579946 /nfs/dbraw/zinc/57/99/46/453579946.db2.gz CNOLTLXTXQEPTD-ROUUACIJSA-N 2 0 331.460 1.647 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660833950 453595572 /nfs/dbraw/zinc/59/55/72/453595572.db2.gz JSFBCTNCSLXRCD-HOCLYGCPSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660837092 453598533 /nfs/dbraw/zinc/59/85/33/453598533.db2.gz IFROJTYPNGUFDL-WBVHZDCISA-N 2 0 338.496 1.269 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(O[C@@H]3CC3(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000659051823 453600502 /nfs/dbraw/zinc/60/05/02/453600502.db2.gz REOSAFIPNUYXJB-GXTWGEPZSA-N 2 0 340.374 1.580 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236162 453619078 /nfs/dbraw/zinc/61/90/78/453619078.db2.gz IRKNOFHSNLBEAD-CMPLNLGQSA-N 2 0 341.253 1.291 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000659089238 453624188 /nfs/dbraw/zinc/62/41/88/453624188.db2.gz CLJWFKZYYYPHQC-CQSZACIVSA-N 2 0 348.447 1.206 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000662974056 453631778 /nfs/dbraw/zinc/63/17/78/453631778.db2.gz ZNXFIRPOGMWEMS-ICSRJNTNSA-N 2 0 345.487 1.487 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000659102253 453634373 /nfs/dbraw/zinc/63/43/73/453634373.db2.gz BOGAOOPMWCAXJM-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C3CCC3)C2)C1 ZINC000665284881 453635604 /nfs/dbraw/zinc/63/56/04/453635604.db2.gz XLQUXASYOULEQT-ZWKOTPCHSA-N 2 0 337.508 1.581 20 0 EDADRP COc1ccc([C@H](C)[C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665293128 453639440 /nfs/dbraw/zinc/63/94/40/453639440.db2.gz SCLSTDFEKNNSDG-VXGBXAGGSA-N 2 0 346.431 1.940 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000660908844 453642474 /nfs/dbraw/zinc/64/24/74/453642474.db2.gz GGLQWFREIFBAKE-GVDBMIGSSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCO1 ZINC000665355175 453663462 /nfs/dbraw/zinc/66/34/62/453663462.db2.gz LUNGOWFZRPSHAF-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1noc2ccccc12 ZINC000665441677 453695138 /nfs/dbraw/zinc/69/51/38/453695138.db2.gz GZNDUKAKSVQGHB-UHFFFAOYSA-N 2 0 347.463 1.505 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]([NH3+])COC(C)C)CCCC2)CC1 ZINC000659285895 453700832 /nfs/dbraw/zinc/70/08/32/453700832.db2.gz YRRUDFYCSNWHAN-INIZCTEOSA-N 2 0 341.496 1.279 20 0 EDADRP [NH3+]CCn1cc(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)nn1 ZINC000659320864 453715560 /nfs/dbraw/zinc/71/55/60/453715560.db2.gz MFZHOJFFVHRDFH-UHFFFAOYSA-N 2 0 328.420 1.127 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000657182836 453723671 /nfs/dbraw/zinc/72/36/71/453723671.db2.gz KYRIQXKEOUSZPQ-AWEZNQCLSA-N 2 0 325.478 1.880 20 0 EDADRP [NH3+]Cc1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)ccn1 ZINC000659349508 453724861 /nfs/dbraw/zinc/72/48/61/453724861.db2.gz ICCKNYGDSLPAOR-RHSMWYFYSA-N 2 0 346.381 1.694 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC2(C[NH3+])CC2)cc1 ZINC000659352524 453725443 /nfs/dbraw/zinc/72/54/43/453725443.db2.gz LIYYFEBOSMNAQI-IRXDYDNUSA-N 2 0 331.460 1.776 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374381 453732503 /nfs/dbraw/zinc/73/25/03/453732503.db2.gz JYUQIQJEDPRVJY-FUHWJXTLSA-N 2 0 342.487 1.455 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000663234034 453741111 /nfs/dbraw/zinc/74/11/11/453741111.db2.gz MPDSPTFOWUHZAO-QGZVFWFLSA-N 2 0 338.496 1.369 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000665551462 453743399 /nfs/dbraw/zinc/74/33/99/453743399.db2.gz HYEZSAQFUARWCD-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000665552779 453744408 /nfs/dbraw/zinc/74/44/08/453744408.db2.gz IMQPRKIJTBYPQZ-INIZCTEOSA-N 2 0 341.544 1.384 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[C@@H](C)[NH+](C)C)[NH+](C)C)c1 ZINC000663443734 453800296 /nfs/dbraw/zinc/80/02/96/453800296.db2.gz HUURSTLNEQIHSZ-PBHICJAKSA-N 2 0 336.480 1.937 20 0 EDADRP C([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nc2c(s1)C[NH2+]CC2 ZINC000663497263 453810569 /nfs/dbraw/zinc/81/05/69/453810569.db2.gz MKKDBPRGKJLQFC-UHFFFAOYSA-N 3 0 335.521 1.095 20 0 EDADRP Cc1ccncc1[C@H](C)[NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000679942394 486677834 /nfs/dbraw/zinc/67/78/34/486677834.db2.gz NHDAMZJPFKHIKS-DLBZAZTESA-N 2 0 348.491 1.514 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000676332062 486737685 /nfs/dbraw/zinc/73/76/85/486737685.db2.gz AZRSBALYRHFBKO-YTQUADARSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000671740279 486738149 /nfs/dbraw/zinc/73/81/49/486738149.db2.gz DSMRQXNUNBEWLE-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP CC(C)(C)[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1O ZINC000680388027 486765301 /nfs/dbraw/zinc/76/53/01/486765301.db2.gz FVYZGXACHLHMKN-SJORKVTESA-N 2 0 337.508 1.458 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000672699750 486768659 /nfs/dbraw/zinc/76/86/59/486768659.db2.gz FLLFCNXVAAFMAC-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889236 486832349 /nfs/dbraw/zinc/83/23/49/486832349.db2.gz MKNVSGTWWSZCHZ-DLBZAZTESA-N 2 0 336.524 1.536 20 0 EDADRP CCC[C@H](O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000676745895 486860978 /nfs/dbraw/zinc/86/09/78/486860978.db2.gz NTUPMNJFFJLLMG-KRWDZBQOSA-N 2 0 334.464 1.261 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1CCC[NH+](C)C1 ZINC000680914551 486891955 /nfs/dbraw/zinc/89/19/55/486891955.db2.gz QNZDRPIRJGPIHY-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP Cc1cccc(CCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000673139514 486922891 /nfs/dbraw/zinc/92/28/91/486922891.db2.gz BQVGFYPWKKMAMB-UHFFFAOYSA-N 2 0 335.496 1.457 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000667742341 486943157 /nfs/dbraw/zinc/94/31/57/486943157.db2.gz PXTJJOMNSFEBNE-UHFFFAOYSA-N 2 0 332.448 1.253 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000684416688 487054589 /nfs/dbraw/zinc/05/45/89/487054589.db2.gz LAWSUCQSJYVXST-UHFFFAOYSA-N 2 0 343.475 1.930 20 0 EDADRP C[C@@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670702 487086316 /nfs/dbraw/zinc/08/63/16/487086316.db2.gz NKXWOBORDSKRHW-OXQOHEQNSA-N 2 0 345.487 1.470 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1-n1cncn1 ZINC000685458435 487278037 /nfs/dbraw/zinc/27/80/37/487278037.db2.gz MZOGOAZTRICRII-UHFFFAOYSA-N 2 0 328.464 1.337 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1-n1cncn1 ZINC000678338476 487292464 /nfs/dbraw/zinc/29/24/64/487292464.db2.gz AWWNFAJJKVABIW-NEWSRXKRSA-N 2 0 341.459 1.951 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000682279885 487335982 /nfs/dbraw/zinc/33/59/82/487335982.db2.gz LAEPVKQKLBKCBR-UHFFFAOYSA-N 2 0 334.464 1.487 20 0 EDADRP C[C@H](NC(=O)NCc1ccc(CC[NH+](C)C)cc1)[C@@H]1CN(C)CCO1 ZINC000682419432 487361123 /nfs/dbraw/zinc/36/11/23/487361123.db2.gz VWUUFGIBPQQNAK-YJBOKZPZSA-N 2 0 348.491 1.309 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@@H]2c2cn(C)nc2C)CC1 ZINC000675250008 487393498 /nfs/dbraw/zinc/39/34/98/487393498.db2.gz DTBLCZGKJDVHKM-QGZVFWFLSA-N 2 0 333.480 1.466 20 0 EDADRP CCN(C)c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cn1 ZINC000682942395 487433579 /nfs/dbraw/zinc/43/35/79/487433579.db2.gz MSCOWSGSBANGQD-KRWDZBQOSA-N 2 0 331.508 1.796 20 0 EDADRP C[C@H]([NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1)C1CC[NH+](C)CC1 ZINC000675803014 487446147 /nfs/dbraw/zinc/44/61/47/487446147.db2.gz LVQXBUJPVPIZGE-DJJJIMSYSA-N 2 0 344.459 1.561 20 0 EDADRP C[C@H]([NH2+][C@]1(C)CCO[C@H]1C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000683146896 487455028 /nfs/dbraw/zinc/45/50/28/487455028.db2.gz QUCUOGZLBXEUCG-JSFADZTLSA-N 2 0 345.487 1.923 20 0 EDADRP [NH3+]C1(C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)Cc2ccccc2C1 ZINC000669519623 485485537 /nfs/dbraw/zinc/48/55/37/485485537.db2.gz KQZHXIYHCLATGN-ZWKOTPCHSA-N 2 0 327.472 1.721 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669528945 485503844 /nfs/dbraw/zinc/50/38/44/485503844.db2.gz VICJIQMCGCKGHS-CVYDXHPNSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000669567376 485579752 /nfs/dbraw/zinc/57/97/52/485579752.db2.gz NGFVDJBEPIIVEP-PBHICJAKSA-N 2 0 334.464 1.048 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000669567366 485579779 /nfs/dbraw/zinc/57/97/79/485579779.db2.gz DWSGWJNYCFIEKM-GUDVDZBRSA-N 2 0 344.503 1.978 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000669570403 485589597 /nfs/dbraw/zinc/58/95/97/485589597.db2.gz GMPPMFOKTHLZST-ROUUACIJSA-N 2 0 346.475 1.268 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000669584184 485633299 /nfs/dbraw/zinc/63/32/99/485633299.db2.gz YWAXCAZZPVHRRO-NHIYQJMISA-N 2 0 338.452 1.466 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000669132482 485720974 /nfs/dbraw/zinc/72/09/74/485720974.db2.gz IGOOQJIPFMQJIQ-SJLPKXTDSA-N 2 0 348.491 1.896 20 0 EDADRP c1c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)nc2ncccn12 ZINC000668439538 485752882 /nfs/dbraw/zinc/75/28/82/485752882.db2.gz APTAFAHDMLMMOV-UHFFFAOYSA-N 2 0 329.448 1.710 20 0 EDADRP C[NH+](C)C1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000668584113 485919238 /nfs/dbraw/zinc/91/92/38/485919238.db2.gz BCDRLDLKWLHFCB-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP CN(C(=O)CC1([NH3+])CCC1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000237286370 485973130 /nfs/dbraw/zinc/97/31/30/485973130.db2.gz GUTGJTAPFAYBSB-UHFFFAOYSA-N 2 0 330.476 1.818 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000669389696 486025938 /nfs/dbraw/zinc/02/59/38/486025938.db2.gz WTCNQFPEYIUMSQ-HNNXBMFYSA-N 2 0 340.537 1.789 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000669420472 486141370 /nfs/dbraw/zinc/14/13/70/486141370.db2.gz MSBZZMUUCDXOFU-ROUUACIJSA-N 2 0 330.476 1.889 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCC1 ZINC000669489290 486260281 /nfs/dbraw/zinc/26/02/81/486260281.db2.gz WELBFZAJOGMXPK-RHSMWYFYSA-N 2 0 338.496 1.304 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073643044 491009120 /nfs/dbraw/zinc/00/91/20/491009120.db2.gz ZAHXIERJRVDZQD-KRWDZBQOSA-N 2 0 347.507 1.440 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000683913535 491013232 /nfs/dbraw/zinc/01/32/32/491013232.db2.gz LVOISHZAZRLXKS-HXUWFJFHSA-N 2 0 345.487 1.811 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000173861602 533821380 /nfs/dbraw/zinc/82/13/80/533821380.db2.gz DFDQJRRMMSUEDN-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)N1CC[NH+](C)CC1 ZINC000174604530 529010085 /nfs/dbraw/zinc/01/00/85/529010085.db2.gz LVBPVUPBQUWQDO-BDXSIMOUSA-N 2 0 338.540 1.636 20 0 EDADRP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)c1cnn(C)c1 ZINC000130447338 529183437 /nfs/dbraw/zinc/18/34/37/529183437.db2.gz LIYCSJFGHSKQNC-QGZVFWFLSA-N 2 0 328.464 1.808 20 0 EDADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261661942 534925048 /nfs/dbraw/zinc/92/50/48/534925048.db2.gz KTMFOTOYZKYFKR-HNNXBMFYSA-N 2 0 333.432 1.055 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000248784372 534953598 /nfs/dbraw/zinc/95/35/98/534953598.db2.gz XDWQPKUDPHOTDR-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000268492573 535163586 /nfs/dbraw/zinc/16/35/86/535163586.db2.gz RVMGRBAZUJCZQV-UHFFFAOYSA-N 2 0 333.476 1.713 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000262583970 535203661 /nfs/dbraw/zinc/20/36/61/535203661.db2.gz SKCBDBULUATFIF-QGZVFWFLSA-N 2 0 344.503 1.946 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000346960478 535361857 /nfs/dbraw/zinc/36/18/57/535361857.db2.gz HTWNVMFRPULQEZ-GJZGRUSLSA-N 2 0 325.497 1.770 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1cccnc1 ZINC000263955313 535593829 /nfs/dbraw/zinc/59/38/29/535593829.db2.gz MLRAPPQXGLIULR-INIZCTEOSA-N 2 0 334.464 1.335 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261860584 535610417 /nfs/dbraw/zinc/61/04/17/535610417.db2.gz SEIPYSMBYIFQPQ-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348091428 535741521 /nfs/dbraw/zinc/74/15/21/535741521.db2.gz XVXXZPAYQDRCPW-SJORKVTESA-N 2 0 342.491 1.944 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@]3(C)CCC[NH2+]C3)ccc2oc1=O ZINC000236991502 535933431 /nfs/dbraw/zinc/93/34/31/535933431.db2.gz IYURMWGHEWWSJS-GOSISDBHSA-N 2 0 346.431 1.484 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]([NH+](C)C)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333459014 536136958 /nfs/dbraw/zinc/13/69/58/536136958.db2.gz GCJFABQTXXGLKN-GJZGRUSLSA-N 2 0 333.480 1.443 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]([NH3+])CC(F)F ZINC000345703558 536433808 /nfs/dbraw/zinc/43/38/08/536433808.db2.gz DFWAMOMSAOXDIL-GJZGRUSLSA-N 2 0 325.403 1.949 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540653 536656290 /nfs/dbraw/zinc/65/62/90/536656290.db2.gz AIEGXGWLNUEYEO-MJGOQNOKSA-N 2 0 331.460 1.393 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000347766557 536774461 /nfs/dbraw/zinc/77/44/61/536774461.db2.gz CAIYNQNBPVEBIA-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP COCC1(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000262415690 536811638 /nfs/dbraw/zinc/81/16/38/536811638.db2.gz TYAUKYUOASRRND-UHFFFAOYSA-N 2 0 331.460 1.177 20 0 EDADRP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000742780190 579462050 /nfs/dbraw/zinc/46/20/50/579462050.db2.gz IMZLUULSDBZXEA-IAGOWNOFSA-N 2 0 325.497 1.556 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727081864 578517421 /nfs/dbraw/zinc/51/74/21/578517421.db2.gz ICFVPDWXARYQJQ-HNNXBMFYSA-N 2 0 344.569 1.491 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=S)NCC[NH+](C)C)cc1 ZINC000728452592 578547793 /nfs/dbraw/zinc/54/77/93/578547793.db2.gz PREHDYYYEIPVSG-UHFFFAOYSA-N 2 0 338.521 1.543 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=S)NCCC[NH+](C)C)CC2)c1 ZINC000729164183 578560348 /nfs/dbraw/zinc/56/03/48/578560348.db2.gz HOASGUDWNRLMTC-UHFFFAOYSA-N 2 0 337.493 1.038 20 0 EDADRP C[C@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930960 578602938 /nfs/dbraw/zinc/60/29/38/578602938.db2.gz SMSROMOIDMCGBZ-IRXDYDNUSA-N 2 0 325.497 1.018 20 0 EDADRP CCc1nn(C)c(Cl)c1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000760703625 580036774 /nfs/dbraw/zinc/03/67/74/580036774.db2.gz PZRMFOZRMVJMIR-UHFFFAOYSA-N 2 0 328.888 1.961 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734275677 578804363 /nfs/dbraw/zinc/80/43/63/578804363.db2.gz AZJCVMGQTTWGEF-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=S)NCC[NH+](C)C)[C@@H](C)C1 ZINC000734386761 578812626 /nfs/dbraw/zinc/81/26/26/578812626.db2.gz VEQGRKNYQMZBOK-GJZGRUSLSA-N 2 0 330.542 1.149 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000744452661 579511207 /nfs/dbraw/zinc/51/12/07/579511207.db2.gz NRVOCFUBJZCOMA-HNNXBMFYSA-N 2 0 347.463 1.059 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556052 579648814 /nfs/dbraw/zinc/64/88/14/579648814.db2.gz MQBXDBMVBIWIRH-CABCVRRESA-N 2 0 336.484 1.687 20 0 EDADRP O=C1O[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CC12CC2 ZINC000763761669 580105762 /nfs/dbraw/zinc/10/57/62/580105762.db2.gz SIJCABINQRPULY-QGZVFWFLSA-N 2 0 336.476 1.907 20 0 EDADRP C[C@@H](C[C@H]1CCOC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000773002910 580325071 /nfs/dbraw/zinc/32/50/71/580325071.db2.gz AQNCOAPZESMZGR-DOTOQJQBSA-N 2 0 333.476 1.883 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH+](C2CC2)CC1 ZINC000787349548 580693756 /nfs/dbraw/zinc/69/37/56/580693756.db2.gz OAHSICBSCVPDAK-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C1(F)F ZINC000787772258 580705114 /nfs/dbraw/zinc/70/51/14/580705114.db2.gz HVHQXYQMOZAUHG-YUTCNCBUSA-N 2 0 332.391 1.131 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]CC2CCC3(CC2)OCCO3)CC1(C)C ZINC000799736392 581035685 /nfs/dbraw/zinc/03/56/85/581035685.db2.gz PZXMKHNFDMGCIN-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000891816031 590634196 /nfs/dbraw/zinc/63/41/96/590634196.db2.gz JLRBZZFKADCJBM-MRXNPFEDSA-N 2 0 348.491 1.911 20 0 EDADRP COC1CCC(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)CC1 ZINC000891832840 590641994 /nfs/dbraw/zinc/64/19/94/590641994.db2.gz DLMIJJFRDBWIAL-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000891833776 590645554 /nfs/dbraw/zinc/64/55/54/590645554.db2.gz LWOQTGDJMUXBJR-UHFFFAOYSA-N 2 0 346.431 1.423 20 0 EDADRP C[C@@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+]1CCCC[C@H]1C ZINC000891890741 590674510 /nfs/dbraw/zinc/67/45/10/590674510.db2.gz XRXGQYZKEZDSSN-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP CSC1(CNC(=O)N2CCCCC[C@H]([NH3+])C2)CC[NH+](C)CC1 ZINC000891904370 590680502 /nfs/dbraw/zinc/68/05/02/590680502.db2.gz AMKODILQDIFUOZ-AWEZNQCLSA-N 2 0 328.526 1.727 20 0 EDADRP CN(CC[NH2+]CC1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000893202642 590707011 /nfs/dbraw/zinc/70/70/11/590707011.db2.gz MVHXAWVNISIBAF-UHFFFAOYSA-N 2 0 331.507 1.300 20 0 EDADRP CNc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000121260813 590727469 /nfs/dbraw/zinc/72/74/69/590727469.db2.gz FVBTZCUQSZCSDQ-UHFFFAOYSA-N 2 0 327.498 1.530 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000892080407 590788460 /nfs/dbraw/zinc/78/84/60/590788460.db2.gz WZWSUVKBVVFCKM-JQFCIGGWSA-N 2 0 332.448 1.349 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC3CC[NH+](C4CCCCC4)CC3)C[C@H]2C1 ZINC000893395226 590837135 /nfs/dbraw/zinc/83/71/35/590837135.db2.gz LYGMWEKNURZRAP-IYBDPMFKSA-N 2 0 334.508 1.987 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000893418586 590858316 /nfs/dbraw/zinc/85/83/16/590858316.db2.gz YVUAVDKHLNZJPE-DOTOQJQBSA-N 2 0 342.553 1.797 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000892233753 590878864 /nfs/dbraw/zinc/87/88/64/590878864.db2.gz UTWGKRBNMQVFHA-OAHLLOKOSA-N 2 0 331.464 1.691 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892241365 590883222 /nfs/dbraw/zinc/88/32/22/590883222.db2.gz QEZAATWUTCYEMF-IRXDYDNUSA-N 2 0 329.448 1.049 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892250216 590887191 /nfs/dbraw/zinc/88/71/91/590887191.db2.gz HJZUIIUPDULSAG-VXNCWWDNSA-N 2 0 328.460 1.716 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)Nc1ccns1 ZINC000889124881 590893549 /nfs/dbraw/zinc/89/35/49/590893549.db2.gz FSGRDUORQWOXIP-UHFFFAOYSA-N 2 0 346.460 1.872 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000892295654 590921859 /nfs/dbraw/zinc/92/18/59/590921859.db2.gz RNNQJZNMLANLRD-QRTARXTBSA-N 2 0 332.448 1.492 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000892343831 590971925 /nfs/dbraw/zinc/97/19/25/590971925.db2.gz SOSAHOSZDMASAW-KRWDZBQOSA-N 2 0 326.444 1.488 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892348018 590976534 /nfs/dbraw/zinc/97/65/34/590976534.db2.gz GFFOZGAYHLZLAK-UHFFFAOYSA-N 2 0 330.476 1.816 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000892478132 591041212 /nfs/dbraw/zinc/04/12/12/591041212.db2.gz HQOUJCAETUEERY-SDDRHHMPSA-N 2 0 336.402 1.543 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)Cc1ccccc1 ZINC000891322905 591046386 /nfs/dbraw/zinc/04/63/86/591046386.db2.gz YUZAJENWMJLMPG-QGZVFWFLSA-N 2 0 327.432 1.636 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891339919 591050197 /nfs/dbraw/zinc/05/01/97/591050197.db2.gz LGUAMXWBNLVDMT-ROUUACIJSA-N 2 0 343.475 1.582 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891344060 591051299 /nfs/dbraw/zinc/05/12/99/591051299.db2.gz CRCQHJHRQDVOOH-JCNLHEQBSA-N 2 0 348.491 1.944 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000892566154 591074908 /nfs/dbraw/zinc/07/49/08/591074908.db2.gz XYOHCMLTJAVULT-MAEOIBBWSA-N 2 0 330.476 1.950 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000892570884 591077757 /nfs/dbraw/zinc/07/77/57/591077757.db2.gz SMPBCXFPWWBTQL-DCIVCYTQSA-N 2 0 328.460 1.497 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000891516464 591103351 /nfs/dbraw/zinc/10/33/51/591103351.db2.gz GWOJFACRPRLOTF-MRXNPFEDSA-N 2 0 338.496 1.544 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000891514615 591103851 /nfs/dbraw/zinc/10/38/51/591103851.db2.gz VITCTKCFGKAMCM-GDBMZVCRSA-N 2 0 334.464 1.301 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000891519165 591104803 /nfs/dbraw/zinc/10/48/03/591104803.db2.gz XSIVLSINRFDXON-UHFFFAOYSA-N 2 0 338.496 1.544 20 0 EDADRP CC(C)(CNC(=O)NCC[NH+]1CCC(O)CC1)[NH+]1CCCCC1 ZINC000891528358 591108453 /nfs/dbraw/zinc/10/84/53/591108453.db2.gz IKYBSYFJACXBMF-UHFFFAOYSA-N 2 0 326.485 1.007 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)[C@H](C)C1 ZINC000891563878 591127255 /nfs/dbraw/zinc/12/72/55/591127255.db2.gz JLENDXMETQGNCM-QXSJWSMHSA-N 2 0 326.485 1.255 20 0 EDADRP [NH3+][C@H]1CCCCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000891575326 591134509 /nfs/dbraw/zinc/13/45/09/591134509.db2.gz LJHIKCLEUNAXRA-HOTGVXAUSA-N 2 0 338.496 1.400 20 0 EDADRP C[C@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(=O)OC(C)(C)C ZINC000892756622 591161916 /nfs/dbraw/zinc/16/19/16/591161916.db2.gz FCGITATXFIVYPI-INIZCTEOSA-N 2 0 348.491 1.914 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000891659337 591172171 /nfs/dbraw/zinc/17/21/71/591172171.db2.gz DTBOQEXZGOEGAU-PVAVHDDUSA-N 2 0 330.476 1.871 20 0 EDADRP C[C@@H](NC(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)(C)C[NH+](C)C ZINC000891664274 591175722 /nfs/dbraw/zinc/17/57/22/591175722.db2.gz GPYVFPIBNMWMTI-LLVKDONJSA-N 2 0 339.509 1.646 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH2+]CCC12CCC2 ZINC000892790608 591176651 /nfs/dbraw/zinc/17/66/51/591176651.db2.gz GCTMDVPTGOUGCZ-QGZVFWFLSA-N 2 0 328.460 1.629 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795303 591182304 /nfs/dbraw/zinc/18/23/04/591182304.db2.gz UQONPISHGJFEJX-HKUYNNGSSA-N 2 0 328.460 1.438 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)[C@@H]1c1ccccc1 ZINC000891722357 591198707 /nfs/dbraw/zinc/19/87/07/591198707.db2.gz CLCBRPIFCBLLDF-FJIDUMEYSA-N 2 0 328.460 1.968 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)ccn1 ZINC000891725036 591200785 /nfs/dbraw/zinc/20/07/85/591200785.db2.gz DKBHMWSDZRJNNQ-QAPCUYQASA-N 2 0 347.463 1.106 20 0 EDADRP CCc1[nH]c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1C(=O)OC ZINC000894169413 591215868 /nfs/dbraw/zinc/21/58/68/591215868.db2.gz AZLBWCLPNKHKRU-UHFFFAOYSA-N 2 0 336.480 1.479 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2[C@H](C(=O)OC)C2(F)F)CC1 ZINC000894174381 591217147 /nfs/dbraw/zinc/21/71/47/591217147.db2.gz SFJMPUKMICCIKQ-UONOGXRCSA-N 2 0 333.423 1.048 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccsc1 ZINC000895648120 591237675 /nfs/dbraw/zinc/23/76/75/591237675.db2.gz RXUKSZAJIHRKER-INIZCTEOSA-N 2 0 337.489 1.578 20 0 EDADRP OCCOCC1(O)CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000895830593 591284299 /nfs/dbraw/zinc/28/42/99/591284299.db2.gz YOYVZXWMVLROEK-UHFFFAOYSA-N 2 0 337.445 1.270 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(C(C)=O)c1 ZINC000896041814 591329495 /nfs/dbraw/zinc/32/94/95/591329495.db2.gz BHNNUVBRUKKYHH-GOSISDBHSA-N 2 0 346.475 1.772 20 0 EDADRP O=C(N[C@H]1CCCN(CCF)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000898495865 591379471 /nfs/dbraw/zinc/37/94/71/591379471.db2.gz VCDIOGTZGOGTTP-ROUUACIJSA-N 2 0 349.450 1.438 20 0 EDADRP O=CN1CCC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000894926443 591479510 /nfs/dbraw/zinc/47/95/10/591479510.db2.gz UUHLFGXFKBPWOV-UHFFFAOYSA-N 2 0 331.460 1.224 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000896623333 591556801 /nfs/dbraw/zinc/55/68/01/591556801.db2.gz CMXLNIABHGNBLW-MRXNPFEDSA-N 3 0 326.529 1.591 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000898961611 591618187 /nfs/dbraw/zinc/61/81/87/591618187.db2.gz HTHWXASPJGZHSD-HNNXBMFYSA-N 2 0 345.447 1.289 20 0 EDADRP COc1ccc([C@H]([NH2+]C(C)C)C(=O)N[C@H](CO)C[NH+]2CCCC2)cc1 ZINC000897764192 591648408 /nfs/dbraw/zinc/64/84/08/591648408.db2.gz AXZVOZVBNMXRJT-WMZOPIPTSA-N 2 0 349.475 1.307 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895250706 591680995 /nfs/dbraw/zinc/68/09/95/591680995.db2.gz NXIWMHSYULSTEA-VPAKFMSCSA-N 2 0 344.455 1.960 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CC(C)(C)O)C2)[C@@H]1c1ccccc1 ZINC000899154876 591710450 /nfs/dbraw/zinc/71/04/50/591710450.db2.gz YYOIMUMRDDHVBB-BZSNNMDCSA-N 2 0 345.487 1.641 20 0 EDADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000897909234 591718006 /nfs/dbraw/zinc/71/80/06/591718006.db2.gz SWUYCPPJASISIF-XDNAFOTISA-N 2 0 331.460 1.753 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@H]1OC ZINC000895339618 591719247 /nfs/dbraw/zinc/71/92/47/591719247.db2.gz UMPOGCBIHDGXNV-NCXUSEDFSA-N 2 0 334.460 1.535 20 0 EDADRP COc1ccc([C@@H]([NH2+]C(C)C)C(=O)NCC[NH+]2CCC(O)CC2)cc1 ZINC000897920038 591721713 /nfs/dbraw/zinc/72/17/13/591721713.db2.gz UGNNBIQRXYMXLI-GOSISDBHSA-N 2 0 349.475 1.307 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000897055808 591725495 /nfs/dbraw/zinc/72/54/95/591725495.db2.gz CZJYKVSGQCQAMM-AOIWGVFYSA-N 2 0 335.492 1.356 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000897261834 591792852 /nfs/dbraw/zinc/79/28/52/591792852.db2.gz HEGQTRNJZFWTKW-QGZVFWFLSA-N 2 0 347.459 1.676 20 0 EDADRP COC(=O)c1ccc(CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)n1C ZINC000895558280 591801310 /nfs/dbraw/zinc/80/13/10/591801310.db2.gz UYMKISWQKPGKQC-CQSZACIVSA-N 2 0 328.416 1.917 20 0 EDADRP O=c1cc(N2CC[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)nc[nH]1 ZINC000898151640 591804227 /nfs/dbraw/zinc/80/42/27/591804227.db2.gz SEZBCTWSWVHQNV-CYBMUJFWSA-N 2 0 337.387 1.131 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000900012853 591862717 /nfs/dbraw/zinc/86/27/17/591862717.db2.gz DEULKTAANYWKEQ-UYAOXDASSA-N 2 0 347.503 1.815 20 0 EDADRP C[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000900140978 591915309 /nfs/dbraw/zinc/91/53/09/591915309.db2.gz LXHXPMHKGCUYPO-OXQOHEQNSA-N 2 0 345.487 1.396 20 0 EDADRP C[NH+](C)C[C@H]1CCN(CN2CCN(Cc3cccc(F)c3)C2=O)C1 ZINC000902145857 591927792 /nfs/dbraw/zinc/92/77/92/591927792.db2.gz IBURPKCAYWCFRK-MRXNPFEDSA-N 2 0 334.439 1.904 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)C1CCCCC1 ZINC000900198387 591938113 /nfs/dbraw/zinc/93/81/13/591938113.db2.gz VOZLRVFUYLZDRP-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900174093 591938300 /nfs/dbraw/zinc/93/83/00/591938300.db2.gz HDQGNPVTBKSFPJ-SFHVURJKSA-N 2 0 335.448 1.542 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cn2cc(OC)c(=O)cc2C)C1 ZINC000902172152 591938548 /nfs/dbraw/zinc/93/85/48/591938548.db2.gz VRZDYKQAWMKHNO-MRXNPFEDSA-N 2 0 337.464 1.556 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902195647 591942434 /nfs/dbraw/zinc/94/24/34/591942434.db2.gz MNCWDXWMCOUHFD-VRCAPQLRSA-N 2 0 345.487 1.781 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900214572 591945131 /nfs/dbraw/zinc/94/51/31/591945131.db2.gz FHEBRACNDQCRJM-WMZOPIPTSA-N 2 0 325.497 1.604 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000902347343 591978050 /nfs/dbraw/zinc/97/80/50/591978050.db2.gz NYYITOYCEBMCCH-GOSISDBHSA-N 3 0 346.519 1.846 20 0 EDADRP C[NH+]1CCC2(CCN2C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000899910401 591979534 /nfs/dbraw/zinc/97/95/34/591979534.db2.gz JXNQFVRXSKRDBV-HXUWFJFHSA-N 2 0 329.488 1.794 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902358173 591986317 /nfs/dbraw/zinc/98/63/17/591986317.db2.gz BLIFBPURCHOGKV-HUUCEWRRSA-N 2 0 332.496 1.855 20 0 EDADRP CN(CC[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)S(=O)(=O)c1cccs1 ZINC000902364082 591986626 /nfs/dbraw/zinc/98/66/26/591986626.db2.gz ZBBAPWNKXAXVNL-ZDUSSCGKSA-N 2 0 345.534 1.736 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)C1 ZINC000902400231 591990669 /nfs/dbraw/zinc/99/06/69/591990669.db2.gz YXOKHBQWCLSERR-QZTJIDSGSA-N 2 0 332.492 1.650 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cnn(CCF)c2)CC[NH2+]CC1 ZINC000902442235 591996556 /nfs/dbraw/zinc/99/65/56/591996556.db2.gz AJEYICUHHZQUCJ-ZDUSSCGKSA-N 2 0 326.416 1.264 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000900412358 592011387 /nfs/dbraw/zinc/01/13/87/592011387.db2.gz RVJNJKBYUXXFAN-DAWZGUTISA-N 2 0 335.492 1.574 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900530696 592048515 /nfs/dbraw/zinc/04/85/15/592048515.db2.gz ZULBVZCWALURBG-HKUYNNGSSA-N 2 0 333.476 1.552 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC000900539696 592051369 /nfs/dbraw/zinc/05/13/69/592051369.db2.gz CYXAHZHGZSKGJJ-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP [NH2+]=C(NOCc1cc(Br)no1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807273 592063398 /nfs/dbraw/zinc/06/33/98/592063398.db2.gz DCUHJKZXXZKSKH-WCBMZHEXSA-N 2 0 345.197 1.299 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000902786359 592063751 /nfs/dbraw/zinc/06/37/51/592063751.db2.gz MUEZWVGMGNGCPU-UXJCHEOYSA-N 2 0 335.492 1.332 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000900599169 592064521 /nfs/dbraw/zinc/06/45/21/592064521.db2.gz QHFSTOPYYGFXKH-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000900626606 592075368 /nfs/dbraw/zinc/07/53/68/592075368.db2.gz HNHFTTQIZOTYFX-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900656315 592082413 /nfs/dbraw/zinc/08/24/13/592082413.db2.gz JGDCCNSEWRNDCA-APWZRJJASA-N 2 0 339.524 1.850 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC1 ZINC000900686271 592094331 /nfs/dbraw/zinc/09/43/31/592094331.db2.gz DSGLQLNHNCWCJR-WMZOPIPTSA-N 2 0 325.497 1.412 20 0 EDADRP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCO[C@]34CCOC4)cc2)CC1 ZINC000903091711 592121391 /nfs/dbraw/zinc/12/13/91/592121391.db2.gz ZBVPWTIPFGEQOY-UXHICEINSA-N 2 0 346.471 1.681 20 0 EDADRP O=C1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@H]([C@@H]2CCCO2)N1 ZINC000903222320 592141468 /nfs/dbraw/zinc/14/14/68/592141468.db2.gz XYWTVGRTZINJNX-YEEMPNMZSA-N 2 0 333.476 1.560 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900867706 592162132 /nfs/dbraw/zinc/16/21/32/592162132.db2.gz CBCUVNOUVYZJPD-LMMKCTJWSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@H](CCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000900916999 592171037 /nfs/dbraw/zinc/17/10/37/592171037.db2.gz AMQVGPFPQYOYQE-XLIONFOSSA-N 2 0 347.503 1.860 20 0 EDADRP C(c1nc(C2CCC2)no1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903506442 592182462 /nfs/dbraw/zinc/18/24/62/592182462.db2.gz UUSWTPVPEHTCNO-IYBDPMFKSA-N 2 0 331.464 1.738 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1cccc(C)c1C)C2 ZINC000903491028 592184588 /nfs/dbraw/zinc/18/45/88/592184588.db2.gz ROCRONSYTLHBII-KHYOSLBOSA-N 2 0 345.443 1.454 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccn(-c3ccccc3)n1)C2 ZINC000903491942 592185016 /nfs/dbraw/zinc/18/50/16/592185016.db2.gz HATBMAJDOGVDRH-KHYOSLBOSA-N 2 0 340.427 1.585 20 0 EDADRP COc1ccc(Cl)cc1CNC(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903496847 592188467 /nfs/dbraw/zinc/18/84/67/592188467.db2.gz HCPWTFKCJFBEBJ-CHWSQXEVSA-N 2 0 339.867 1.882 20 0 EDADRP Cc1ccccc1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903512703 592191713 /nfs/dbraw/zinc/19/17/13/592191713.db2.gz DTCVONLDMSVLHH-HDICACEKSA-N 2 0 342.487 1.834 20 0 EDADRP Cc1cccc(NC(=O)C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903522564 592196737 /nfs/dbraw/zinc/19/67/37/592196737.db2.gz RSSQQXGMCWVNIO-APWZRJJASA-N 2 0 344.459 1.170 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000901025817 592202983 /nfs/dbraw/zinc/20/29/83/592202983.db2.gz KWTNKUQTZFPYTB-YVWKXTFCSA-N 2 0 345.487 1.612 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000906647739 592233045 /nfs/dbraw/zinc/23/30/45/592233045.db2.gz AJHRWFGWLLEPJN-MRXNPFEDSA-N 2 0 344.459 1.516 20 0 EDADRP COCC[C@H]1C[NH2+]CCN1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000904354163 592237554 /nfs/dbraw/zinc/23/75/54/592237554.db2.gz BTHVXEARCVVGPJ-HNNXBMFYSA-N 2 0 330.392 1.110 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656202 592237987 /nfs/dbraw/zinc/23/79/87/592237987.db2.gz RKPHNZSFFVCXGM-AWEZNQCLSA-N 2 0 346.475 1.619 20 0 EDADRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1c1cccc(F)c1 ZINC000904374045 592241411 /nfs/dbraw/zinc/24/14/11/592241411.db2.gz YVMQAWFZFHWLIG-ZWKOTPCHSA-N 2 0 344.434 1.755 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@H](CO)c2ccc(Br)cc2)CC1 ZINC000904385762 592248311 /nfs/dbraw/zinc/24/83/11/592248311.db2.gz DOMQHKLONGRNNO-OAHLLOKOSA-N 2 0 342.281 1.495 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[C@H](C[NH3+])C3)c2)CC1 ZINC000904421864 592258457 /nfs/dbraw/zinc/25/84/57/592258457.db2.gz VVGIDKXRDSVOOG-KOMQPUFPSA-N 2 0 331.464 1.687 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NC[C@@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000904529384 592280294 /nfs/dbraw/zinc/28/02/94/592280294.db2.gz HAXOWFFOFFFZFG-AWEZNQCLSA-N 2 0 334.468 1.804 20 0 EDADRP O=C(C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCCC1 ZINC000903718319 592280644 /nfs/dbraw/zinc/28/06/44/592280644.db2.gz KQEHBHBPZIRQNU-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903718332 592280900 /nfs/dbraw/zinc/28/09/00/592280900.db2.gz KUIFBNXLLGUTLA-UYAOXDASSA-N 2 0 343.471 1.649 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908030684 592280979 /nfs/dbraw/zinc/28/09/79/592280979.db2.gz ZIBGIXFFYRWWKO-QGZVFWFLSA-N 2 0 341.459 1.411 20 0 EDADRP CCCCNC(=O)C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903724425 592283780 /nfs/dbraw/zinc/28/37/80/592283780.db2.gz NNSQJVGLFFLOFG-QGZVFWFLSA-N 2 0 337.508 1.773 20 0 EDADRP COc1cc2c(cc1OC)CC[NH+](C[C@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903727876 592285915 /nfs/dbraw/zinc/28/59/15/592285915.db2.gz YOPZTBKLCQBNOI-YLJYHZDGSA-N 2 0 346.471 1.873 20 0 EDADRP Cn1cc(CN2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)cn1 ZINC000903753359 592296438 /nfs/dbraw/zinc/29/64/38/592296438.db2.gz UIQKSEHVMZBDJT-GOSISDBHSA-N 2 0 347.507 1.087 20 0 EDADRP Cc1ccc(N(C)C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739157 592300190 /nfs/dbraw/zinc/30/01/90/592300190.db2.gz DDESWLBGJUSAKK-PKOBYXMFSA-N 2 0 345.491 1.454 20 0 EDADRP C[C@@H]1[NH2+]CCn2c(-c3nc([C@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)ccc21 ZINC000904638228 592300561 /nfs/dbraw/zinc/30/05/61/592300561.db2.gz NVYXVNCBQUJWAD-YWPYICTPSA-N 2 0 329.404 1.738 20 0 EDADRP c1cnnc(NC2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903740318 592303282 /nfs/dbraw/zinc/30/32/82/592303282.db2.gz GJDVGKNBMKBVQX-MRXNPFEDSA-N 2 0 331.464 1.512 20 0 EDADRP Cc1nccc(N2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)n1 ZINC000903755761 592313753 /nfs/dbraw/zinc/31/37/53/592313753.db2.gz LIGAITMAEWTTCB-MRXNPFEDSA-N 2 0 331.464 1.066 20 0 EDADRP CC(=O)N(C[C@H]1CCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000903755276 592314102 /nfs/dbraw/zinc/31/41/02/592314102.db2.gz DQNAWZJTAYHXOZ-MSOLQXFVSA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903793051 592315633 /nfs/dbraw/zinc/31/56/33/592315633.db2.gz LOYNTBOBRHPJOP-MOPGFXCFSA-N 3 0 329.488 1.748 20 0 EDADRP CC(=O)Nc1cccc2c1C[N@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903777387 592319669 /nfs/dbraw/zinc/31/96/69/592319669.db2.gz AVUNPHIAXQURAM-LPHOPBHVSA-N 2 0 329.444 1.772 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903781861 592321344 /nfs/dbraw/zinc/32/13/44/592321344.db2.gz CAKKQQFXQMVORR-FHWLQOOXSA-N 2 0 331.460 1.410 20 0 EDADRP [NH3+]C[C@]12CC[C@H]1CCCN2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903799753 592327054 /nfs/dbraw/zinc/32/70/54/592327054.db2.gz SERPGODVBHVZNQ-VQIMIIECSA-N 2 0 344.459 1.606 20 0 EDADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810557 592331572 /nfs/dbraw/zinc/33/15/72/592331572.db2.gz DWJSXEDVUROECN-ULQDDVLXSA-N 2 0 326.481 1.526 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N2CC[C@@H]([NH+](C)Cc3ccccc3)C2)C1 ZINC000906830543 592357824 /nfs/dbraw/zinc/35/78/24/592357824.db2.gz UNOBBKAUZBKANH-LJQANCHMSA-N 2 0 344.503 1.213 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908177321 592361296 /nfs/dbraw/zinc/36/12/96/592361296.db2.gz IJXAXXPRDCDMDM-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP CCCCNC(=O)C1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903884274 592362463 /nfs/dbraw/zinc/36/24/63/592362463.db2.gz WFNLBWZUSPIXLR-INIZCTEOSA-N 2 0 349.523 1.474 20 0 EDADRP C[C@H]1C[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1nccn2cnnc12 ZINC000903914712 592364442 /nfs/dbraw/zinc/36/44/42/592364442.db2.gz VHDVAWVAAIEJQP-HNSVSWJLSA-N 2 0 341.463 1.165 20 0 EDADRP COc1ccc([C@H](CO)[N@H+](C)C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893060 592366065 /nfs/dbraw/zinc/36/60/65/592366065.db2.gz PLVXLVFLWLYZIO-BEFAXECRSA-N 2 0 346.475 1.520 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[NH2+]Cc3c(C)cccc32)cnn1C ZINC000903919360 592376775 /nfs/dbraw/zinc/37/67/75/592376775.db2.gz NJEDNBWLOOSECM-MRXNPFEDSA-N 2 0 327.476 1.764 20 0 EDADRP C[C@](O)(C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(F)F ZINC000905079779 592388482 /nfs/dbraw/zinc/38/84/82/592388482.db2.gz IWOFTZHWCCIOPO-INIZCTEOSA-N 2 0 328.407 1.199 20 0 EDADRP Cc1cc([C@@H]2CCC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000903917944 592390993 /nfs/dbraw/zinc/39/09/93/592390993.db2.gz PCIRFOUXMNSRBH-HUUCEWRRSA-N 2 0 329.452 1.614 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905075708 592404645 /nfs/dbraw/zinc/40/46/45/592404645.db2.gz KNJFSWXJLZPKBL-KRWDZBQOSA-N 2 0 336.476 1.773 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)co2)C1 ZINC000908262615 592411160 /nfs/dbraw/zinc/41/11/60/592411160.db2.gz ZCPHCLPYDJPELZ-KBPBESRZSA-N 2 0 338.452 1.354 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@H]3[C@@H]4CC[NH2+]C[C@@H]43)n2)ccn1 ZINC000904098029 592425059 /nfs/dbraw/zinc/42/50/59/592425059.db2.gz MHGKKGZDWUKEJF-IPYPFGDCSA-N 2 0 329.404 1.395 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC[NH+]1CCCCC1)c1cccnc1 ZINC000905151423 592440237 /nfs/dbraw/zinc/44/02/37/592440237.db2.gz LBOVGTUNYKLRPK-KRWDZBQOSA-N 2 0 333.480 1.860 20 0 EDADRP O[C@@H](C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)C1(O)CCC1 ZINC000905242288 592485391 /nfs/dbraw/zinc/48/53/91/592485391.db2.gz HWJJHXUFWYHUPD-RUXDESIVSA-N 2 0 336.398 1.657 20 0 EDADRP CC[N@H+](CCCNS(=O)(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000905346626 592501205 /nfs/dbraw/zinc/50/12/05/592501205.db2.gz VTEGGZWNINBTHY-UHFFFAOYSA-N 2 0 345.553 1.950 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)n1 ZINC000908493086 592508603 /nfs/dbraw/zinc/50/86/03/592508603.db2.gz MBJDJNLJYAJHQG-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)C1 ZINC000905398258 592520563 /nfs/dbraw/zinc/52/05/63/592520563.db2.gz HLDAICVBFKZSJE-RCCFBDPRSA-N 2 0 336.476 1.296 20 0 EDADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)C1C[NH+]([C@H]3CCOC3)C1)CC2 ZINC000908504138 592523245 /nfs/dbraw/zinc/52/32/45/592523245.db2.gz AYARLHPUNSIMLA-SFHVURJKSA-N 2 0 349.519 1.820 20 0 EDADRP CN(C)c1nccc2cc(NC(=O)[C@]3(C)C[C@H](O)CN3C)ccc21 ZINC000908535856 592528589 /nfs/dbraw/zinc/52/85/89/592528589.db2.gz ZMQPGXLFWFMZLS-KSSFIOAISA-N 2 0 328.416 1.694 20 0 EDADRP OC[C@H](C[C@H]1CCCO1)[NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000905458898 592541271 /nfs/dbraw/zinc/54/12/71/592541271.db2.gz CXMDPCWKAAVLNU-IPMKNSEASA-N 2 0 334.460 1.143 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]CCC(=O)Nc1cccnc1)C2 ZINC000905500975 592545697 /nfs/dbraw/zinc/54/56/97/592545697.db2.gz DGHQDFOQXYKBOM-PSBWJHGTSA-N 2 0 346.475 1.480 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C2 ZINC000905501866 592546222 /nfs/dbraw/zinc/54/62/22/592546222.db2.gz HSACCUZRVJSCSJ-GFEQUFNTSA-N 2 0 336.451 1.928 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000908593545 592547444 /nfs/dbraw/zinc/54/74/44/592547444.db2.gz CLOLJTKZTCMVNF-QGZVFWFLSA-N 2 0 339.524 1.848 20 0 EDADRP CCSc1ccccc1CC[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905565199 592567989 /nfs/dbraw/zinc/56/79/89/592567989.db2.gz QEDCAAJJNCHGOC-KRWDZBQOSA-N 2 0 337.533 1.539 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1 ZINC000905904370 592675016 /nfs/dbraw/zinc/67/50/16/592675016.db2.gz BKUWXDSIXZBGOZ-QGZVFWFLSA-N 2 0 327.513 1.050 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000909914297 592710777 /nfs/dbraw/zinc/71/07/77/592710777.db2.gz MCYUPDPIGPXXAK-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NC[C@@H]2CC[C@H]([NH3+])C2)CCCCCC1 ZINC000910990888 592907806 /nfs/dbraw/zinc/90/78/06/592907806.db2.gz DZMSRBJUABCXCI-CABCVRRESA-N 2 0 338.496 1.001 20 0 EDADRP O=C(C[C@@]1(O)CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911635673 592972104 /nfs/dbraw/zinc/97/21/04/592972104.db2.gz KRJNQAFIDKMIMI-IBGZPJMESA-N 2 0 331.460 1.226 20 0 EDADRP O=C(c1cccc2c1OCC[NH2+]C2)N1CCC([NH2+]CC2CC2)CC1 ZINC000911839744 593020913 /nfs/dbraw/zinc/02/09/13/593020913.db2.gz BFGXMGATKPOUAU-UHFFFAOYSA-N 2 0 329.444 1.773 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)N[C@H](C[NH3+])C2CCCCC2)cc1 ZINC000911817384 593022731 /nfs/dbraw/zinc/02/27/31/593022731.db2.gz CFZVVPYUAZNGLH-GOSISDBHSA-N 2 0 333.476 1.981 20 0 EDADRP [NH3+]CCNCC(=O)Nc1cc(Cl)ccc1OCC(F)(F)F ZINC000912207175 593072065 /nfs/dbraw/zinc/07/20/65/593072065.db2.gz LAJSGKMJIZTOKG-UHFFFAOYSA-N 2 0 325.718 1.768 20 0 EDADRP CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@H](O)C[NH+]1CCCC1 ZINC000805763185 593140453 /nfs/dbraw/zinc/14/04/53/593140453.db2.gz QLKVGSMREZCKOI-JKSUJKDBSA-N 2 0 327.469 1.386 20 0 EDADRP Cc1nc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000804986526 593323291 /nfs/dbraw/zinc/32/32/91/593323291.db2.gz MUQITUSOXRHNMR-UHFFFAOYSA-N 2 0 348.900 1.157 20 0 EDADRP CC1(C)[C@@H](O)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000812866045 593511199 /nfs/dbraw/zinc/51/11/99/593511199.db2.gz XEAHNRKQCQKOIQ-SFHVURJKSA-N 2 0 345.487 1.744 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)CC[NH2+]CC1 ZINC000817910641 593647891 /nfs/dbraw/zinc/64/78/91/593647891.db2.gz XDSDIVBQJSBRSH-NVXWUHKLSA-N 2 0 334.460 1.939 20 0 EDADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@H](O)c1ccccc1F ZINC000818997473 593733104 /nfs/dbraw/zinc/73/31/04/593733104.db2.gz BNDRYMRBYUXTMS-SJORKVTESA-N 2 0 337.439 1.391 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(F)cc1F)CN1CC[NH+](C)CC1 ZINC000819059718 593736648 /nfs/dbraw/zinc/73/66/48/593736648.db2.gz ZVCHLPLDELRAJF-DYVFJYSZSA-N 2 0 327.419 1.471 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)c2ccccc2)(N2CCOCC2)CC1 ZINC000819366754 593752082 /nfs/dbraw/zinc/75/20/82/593752082.db2.gz ULSYUPFJPPGAHI-GOSISDBHSA-N 2 0 333.476 1.106 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819387539 593753124 /nfs/dbraw/zinc/75/31/24/593753124.db2.gz AIWHYBCWQKDDBR-KRWDZBQOSA-N 2 0 327.419 1.614 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNc2c(-c3nn[nH]n3)cnc3ccccc32)C1 ZINC000820708939 593867882 /nfs/dbraw/zinc/86/78/82/593867882.db2.gz ACJKHKJISHBCIK-CYBMUJFWSA-N 2 0 337.431 1.981 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809463 593894925 /nfs/dbraw/zinc/89/49/25/593894925.db2.gz BFFRBLHYJYOXAT-QGZVFWFLSA-N 2 0 342.491 1.946 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1-c1nn[nH]n1 ZINC000821808171 593944657 /nfs/dbraw/zinc/94/46/57/593944657.db2.gz BFLSLHIVPYUIGA-AWEZNQCLSA-N 2 0 330.436 1.695 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821277425 594005678 /nfs/dbraw/zinc/00/56/78/594005678.db2.gz SMLYMNGXFYJFLL-UHFFFAOYSA-N 2 0 335.481 1.045 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F ZINC000824412864 594005970 /nfs/dbraw/zinc/00/59/70/594005970.db2.gz GXUOIBWBDILZIS-STQMWFEESA-N 2 0 347.442 1.292 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1ccc(-c2nn[nH]n2)cc1 ZINC000825848961 594261785 /nfs/dbraw/zinc/26/17/85/594261785.db2.gz INUJZSZPNQVSKJ-IKGGRYGDSA-N 2 0 342.447 1.550 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ncc2F)C[C@H]1C[NH+](C)C ZINC000827892717 594298779 /nfs/dbraw/zinc/29/87/79/594298779.db2.gz RASIIWCGIAWSPG-VXGBXAGGSA-N 2 0 342.846 1.686 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@]1(F)CC[NH2+]C1 ZINC000827939811 594307213 /nfs/dbraw/zinc/30/72/13/594307213.db2.gz ACKCCGOZIVFUJM-CZUORRHYSA-N 2 0 325.453 1.778 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@H]1CCCc2cc(-c3nn[nH]n3)ccc21 ZINC000826157833 594354174 /nfs/dbraw/zinc/35/41/74/594354174.db2.gz NRFWYHFJYGQNNE-KRWDZBQOSA-N 2 0 344.463 1.802 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)NCCN2CCOC[C@H]2C)cc(Cl)n1 ZINC000828715359 594485891 /nfs/dbraw/zinc/48/58/91/594485891.db2.gz JCERAYCBYZQBBR-TZMCWYRMSA-N 2 0 340.855 1.270 20 0 EDADRP CCO[C@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C[NH+](C)C ZINC000831743937 594698490 /nfs/dbraw/zinc/69/84/90/594698490.db2.gz MCSUKVLCRFLRRB-GOSISDBHSA-N 2 0 342.443 1.944 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[NH2+]C3CC3)cc2)CC1 ZINC000841018657 594840337 /nfs/dbraw/zinc/84/03/37/594840337.db2.gz ZWPPZWUMJXGIOQ-UHFFFAOYSA-N 2 0 331.464 1.702 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)CC[NH2+]1 ZINC000841846722 594963876 /nfs/dbraw/zinc/96/38/76/594963876.db2.gz MLLGDLTZSPJADH-KBPBESRZSA-N 2 0 345.443 1.922 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841856539 594966468 /nfs/dbraw/zinc/96/64/68/594966468.db2.gz RWJLWKDMSXFOGH-SFHVURJKSA-N 2 0 332.492 1.965 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(C4(C[NH3+])CC4)n3)cn2)CC1 ZINC000843208181 595035856 /nfs/dbraw/zinc/03/58/56/595035856.db2.gz RLXJSRQPYKHXCH-UHFFFAOYSA-N 2 0 328.420 1.264 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N(C)C1CCC([NH3+])CC1)[NH+]1CCCCC1 ZINC000842209664 595040132 /nfs/dbraw/zinc/04/01/32/595040132.db2.gz HHRNEFRKTNQTFM-QQFBHYJXSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[N@@H+]1C ZINC000843333038 595077769 /nfs/dbraw/zinc/07/77/69/595077769.db2.gz UIRPQQSKJYYIDP-XOKHGSTOSA-N 2 0 345.443 1.874 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCCCC[NH3+])CCC2 ZINC000843340326 595079675 /nfs/dbraw/zinc/07/96/75/595079675.db2.gz AYXLLQFBXOTJST-INIZCTEOSA-N 2 0 325.478 1.820 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)N2CC(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000843361012 595087767 /nfs/dbraw/zinc/08/77/67/595087767.db2.gz QETHILJKQDIXNR-HMQMGEFJSA-N 2 0 329.444 1.451 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CCn3ccnc32)[NH+](C)C)c1 ZINC000837353613 595090891 /nfs/dbraw/zinc/09/08/91/595090891.db2.gz UXZASMKWXMCDAA-CVEARBPZSA-N 2 0 343.431 1.939 20 0 EDADRP CCCCCCNC(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000842478658 595115620 /nfs/dbraw/zinc/11/56/20/595115620.db2.gz JFELECCSEIDXJH-DLBZAZTESA-N 2 0 325.497 1.901 20 0 EDADRP CCCCCCNC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000842478659 595115847 /nfs/dbraw/zinc/11/58/47/595115847.db2.gz JFELECCSEIDXJH-IAGOWNOFSA-N 2 0 325.497 1.901 20 0 EDADRP CO[C@H](C)c1noc(CN2CCC[N@H+](CCCCCC[NH3+])CC2)n1 ZINC000846220046 595177249 /nfs/dbraw/zinc/17/72/49/595177249.db2.gz JZURMMCFNHAVEU-OAHLLOKOSA-N 2 0 339.484 1.804 20 0 EDADRP CC[C@@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000844172192 595290923 /nfs/dbraw/zinc/29/09/23/595290923.db2.gz QYAWQLCJJIGJQF-OALUTQOASA-N 2 0 345.487 1.708 20 0 EDADRP C[C@@]([NH3+])(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000844171681 595290956 /nfs/dbraw/zinc/29/09/56/595290956.db2.gz QDHURPIYZMEJGZ-HKUYNNGSSA-N 2 0 331.460 1.620 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)c1 ZINC000844175684 595292504 /nfs/dbraw/zinc/29/25/04/595292504.db2.gz KUMJRJMJPPGSQH-GOSISDBHSA-N 2 0 333.476 1.912 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920136 595337338 /nfs/dbraw/zinc/33/73/38/595337338.db2.gz UNJPABWHZNDEDD-ZWKOTPCHSA-N 2 0 339.480 1.386 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000848415823 595375561 /nfs/dbraw/zinc/37/55/61/595375561.db2.gz QKERYZPVGMSDLJ-MJGOQNOKSA-N 2 0 328.460 1.767 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000847318150 595394962 /nfs/dbraw/zinc/39/49/62/595394962.db2.gz BJKNYIGQHLKEBR-UAGQMJEPSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901470 595410756 /nfs/dbraw/zinc/41/07/56/595410756.db2.gz FSGDSGRDHJAFEJ-KSZLIROESA-N 3 0 341.459 1.986 20 0 EDADRP COc1cnc(F)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000847487734 595432129 /nfs/dbraw/zinc/43/21/29/595432129.db2.gz JUJKPRBHYWMTNX-UHFFFAOYSA-N 2 0 340.443 1.575 20 0 EDADRP CC(C)NC(=O)CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849062983 595477025 /nfs/dbraw/zinc/47/70/25/595477025.db2.gz JQDYKHPRPFYLHS-UHFFFAOYSA-N 2 0 345.491 1.680 20 0 EDADRP Cc1cc(C)cc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849072804 595477911 /nfs/dbraw/zinc/47/79/11/595477911.db2.gz IBXRPRZAVOPLBI-OAHLLOKOSA-N 2 0 331.464 1.827 20 0 EDADRP Cc1noc(CCNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000849072820 595478217 /nfs/dbraw/zinc/47/82/17/595478217.db2.gz JZGKOYBXVNZTFL-UHFFFAOYSA-N 2 0 342.447 1.699 20 0 EDADRP CO[C@]1(CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000849085401 595479848 /nfs/dbraw/zinc/47/98/48/595479848.db2.gz JDODPJWZKSDKOJ-IBGZPJMESA-N 2 0 346.475 1.570 20 0 EDADRP CN1CC[N@H+](CCCNC2=[NH+]CCCN2C)[C@@H](c2ccccc2)C1 ZINC000849110551 595483639 /nfs/dbraw/zinc/48/36/39/595483639.db2.gz IPVYVXWVHIKNNB-GOSISDBHSA-N 2 0 329.492 1.646 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849498079 595551654 /nfs/dbraw/zinc/55/16/54/595551654.db2.gz JAPGQAKJUDQBTN-QZTJIDSGSA-N 2 0 347.507 1.304 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NCC[NH+]2CCC2)[C@H](c2cnn(C)c2)C1 ZINC000849567709 595572369 /nfs/dbraw/zinc/57/23/69/595572369.db2.gz IRIWDPSEODLRRV-SJORKVTESA-N 2 0 333.480 1.056 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000852858226 595580040 /nfs/dbraw/zinc/58/00/40/595580040.db2.gz VIKOXXIVMALZPB-PKOBYXMFSA-N 2 0 343.471 1.981 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852858280 595580272 /nfs/dbraw/zinc/58/02/72/595580272.db2.gz WUKTWTQECWADQZ-WMLDXEAASA-N 2 0 344.459 1.781 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)Cc1ccccc1 ZINC000852859072 595581211 /nfs/dbraw/zinc/58/12/11/595581211.db2.gz NUPUNHQCNDHECT-CVEARBPZSA-N 2 0 332.448 1.159 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)=NO1 ZINC000852861994 595582845 /nfs/dbraw/zinc/58/28/45/595582845.db2.gz PIEDKBSGMJSGRP-INIZCTEOSA-N 2 0 330.432 1.757 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)=NO1 ZINC000852862874 595584007 /nfs/dbraw/zinc/58/40/07/595584007.db2.gz LPSYAHDDDHRUPC-ZDUSSCGKSA-N 2 0 336.461 1.180 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852865196 595585019 /nfs/dbraw/zinc/58/50/19/595585019.db2.gz UPBFYDYTOONEBE-QGZVFWFLSA-N 2 0 344.459 1.461 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849597235 595586579 /nfs/dbraw/zinc/58/65/79/595586579.db2.gz RJXTUILHFOPUCB-ZACQAIPSSA-N 2 0 333.480 1.008 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000850353385 595815890 /nfs/dbraw/zinc/81/58/90/595815890.db2.gz BHOXHTDSWRPHCX-IHRRRGAJSA-N 2 0 325.419 1.958 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCn3cncn3)C2)ccn1 ZINC000856584311 596020054 /nfs/dbraw/zinc/02/00/54/596020054.db2.gz HLFCZPSLUMWKMR-QGZVFWFLSA-N 2 0 330.436 1.278 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856584918 596023456 /nfs/dbraw/zinc/02/34/56/596023456.db2.gz URFOFUXPVJHEPT-ZHRRBRCNSA-N 2 0 325.478 1.365 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000861633574 596052843 /nfs/dbraw/zinc/05/28/43/596052843.db2.gz SSNWVAYEAHAFBL-CQSZACIVSA-N 2 0 334.464 1.648 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc([C@H]2CCC[NH+](C)C2)c1 ZINC000857123010 596163413 /nfs/dbraw/zinc/16/34/13/596163413.db2.gz UTQIHTHTVZICSG-RBUKOAKNSA-N 2 0 344.503 1.471 20 0 EDADRP O=C(c1cccc2nccn21)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000861985479 596170145 /nfs/dbraw/zinc/17/01/45/596170145.db2.gz WLIGOHYBVPZJQA-UHFFFAOYSA-N 2 0 328.416 1.661 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC1CC([NH+](C)C)C1 ZINC000857230129 596192377 /nfs/dbraw/zinc/19/23/77/596192377.db2.gz OARSIIUTHXOMPE-RUXDESIVSA-N 2 0 342.484 1.040 20 0 EDADRP CC[C@H](CO)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000857329613 596214005 /nfs/dbraw/zinc/21/40/05/596214005.db2.gz NGZMCCLWBMGUGP-NVXWUHKLSA-N 2 0 333.476 1.516 20 0 EDADRP O=C(Oc1ccccc1)N1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852745556 596237300 /nfs/dbraw/zinc/23/73/00/596237300.db2.gz WIJDLNXQHHDPRH-KRWDZBQOSA-N 2 0 345.443 1.714 20 0 EDADRP CCCCCCNC(=O)[C@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852744745 596237329 /nfs/dbraw/zinc/23/73/29/596237329.db2.gz IKCMOBXMYDEXOZ-DLBZAZTESA-N 2 0 337.508 1.916 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1)C1CC[NH+](C)CC1 ZINC000866521269 596239411 /nfs/dbraw/zinc/23/94/11/596239411.db2.gz HENUVLVFJOGNGA-CQSZACIVSA-N 2 0 344.459 1.558 20 0 EDADRP COc1c(C)cnc(CNS(=O)(=O)CC2(N(C)C)CC2)c1C ZINC000866677718 596290564 /nfs/dbraw/zinc/29/05/64/596290564.db2.gz CCTQHIBQSFDARY-UHFFFAOYSA-N 2 0 327.450 1.221 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866711223 596303849 /nfs/dbraw/zinc/30/38/49/596303849.db2.gz FRDRRIBFYCCGBD-ZACQAIPSSA-N 2 0 331.416 1.200 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCOC2CCCCCC2)C1 ZINC000866714804 596306832 /nfs/dbraw/zinc/30/68/32/596306832.db2.gz XVYVKROMVALFJU-HYVNUMGLSA-N 2 0 337.464 1.593 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000866714767 596306917 /nfs/dbraw/zinc/30/69/17/596306917.db2.gz WZBVZIBPLLZQEV-KFWWJZLASA-N 2 0 337.370 1.991 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870896248 596393779 /nfs/dbraw/zinc/39/37/79/596393779.db2.gz IIUYNAMKXTZWAG-MFKMUULPSA-N 2 0 328.254 1.905 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000870896557 596394087 /nfs/dbraw/zinc/39/40/87/596394087.db2.gz VWDMGVCNZNEOSN-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870919749 596404850 /nfs/dbraw/zinc/40/48/50/596404850.db2.gz GHFCKJBIXHVGKB-GFCCVEGCSA-N 2 0 334.489 1.824 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]([NH3+])CC(F)F)cc2F)CC1 ZINC000871011959 596438314 /nfs/dbraw/zinc/43/83/14/596438314.db2.gz AIGJJEHYVZIZPG-ZDUSSCGKSA-N 2 0 344.381 1.889 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2F)CC1 ZINC000871012510 596438793 /nfs/dbraw/zinc/43/87/93/596438793.db2.gz WVEPPYCHZMRBQU-KRWDZBQOSA-N 2 0 338.402 1.608 20 0 EDADRP CC(=O)NCC1CCC([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000865460653 596581596 /nfs/dbraw/zinc/58/15/96/596581596.db2.gz KEKKNDHLSWSFCF-ABHNRTSZSA-N 2 0 336.524 1.439 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccnc1Br ZINC000865531003 596602220 /nfs/dbraw/zinc/60/22/20/596602220.db2.gz KWPLVOREGPMMOU-ZDUSSCGKSA-N 2 0 341.297 1.960 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cccnc2Br)CC1(C)C ZINC000865552168 596609157 /nfs/dbraw/zinc/60/91/57/596609157.db2.gz MIDXIJWHUBNOOS-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863550549 596615526 /nfs/dbraw/zinc/61/55/26/596615526.db2.gz ZNCOWNLKDHDCSL-AEFFLSMTSA-N 2 0 345.443 1.761 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H](F)[C@@H]4CC[NH2+]C4)n3)c2)CC1 ZINC000863666026 596650011 /nfs/dbraw/zinc/65/00/11/596650011.db2.gz RJMSRMWZSRFEGC-DOMZBBRYSA-N 2 0 346.410 1.504 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)CC[C@H]21 ZINC000868023140 596659157 /nfs/dbraw/zinc/65/91/57/596659157.db2.gz CMXBEJYEEAMBDC-DLBZAZTESA-N 2 0 343.475 1.917 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CCS(=O)(=O)CC2)(c2ccccc2)CC1 ZINC000865774202 596678654 /nfs/dbraw/zinc/67/86/54/596678654.db2.gz GNRJEYGRZOVVDV-UHFFFAOYSA-N 2 0 336.501 1.817 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000868178978 596713490 /nfs/dbraw/zinc/71/34/90/596713490.db2.gz ZCDGXTTXKUWWQH-FGTMMUONSA-N 2 0 344.459 1.876 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186435 596715484 /nfs/dbraw/zinc/71/54/84/596715484.db2.gz SKUMTBQWIZJWFH-XOKHGSTOSA-N 2 0 331.464 1.259 20 0 EDADRP CN1CCn2nc(NC(=O)N(CC[NH3+])Cc3ccccc3)cc2C1 ZINC000868203453 596722240 /nfs/dbraw/zinc/72/22/40/596722240.db2.gz DHAGFFCWKQBMJS-UHFFFAOYSA-N 2 0 328.420 1.321 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+]1C ZINC000868230721 596736875 /nfs/dbraw/zinc/73/68/75/596736875.db2.gz LZNWJOIRNAFGBP-IPOQPSJVSA-N 2 0 330.432 1.039 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000863969242 596737620 /nfs/dbraw/zinc/73/76/20/596737620.db2.gz SOHYKXAHQBSFPZ-WKULXVSPSA-N 2 0 326.481 1.082 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000865996078 596752150 /nfs/dbraw/zinc/75/21/50/596752150.db2.gz HANYTFAEHRGNTE-UHFFFAOYSA-N 2 0 345.451 1.039 20 0 EDADRP CC(C)Cc1nsc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011947 596757502 /nfs/dbraw/zinc/75/75/02/596757502.db2.gz NDASMKCAWMDOTI-ZIAGYGMSSA-N 2 0 325.526 1.912 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000866041885 596769938 /nfs/dbraw/zinc/76/99/38/596769938.db2.gz KUIVFASVPVCAPW-QZTJIDSGSA-N 2 0 332.492 1.610 20 0 EDADRP Cc1csc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866040544 596770383 /nfs/dbraw/zinc/77/03/83/596770383.db2.gz AAAORDPHVVCREQ-CHWSQXEVSA-N 2 0 325.482 1.655 20 0 EDADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000872144080 596809475 /nfs/dbraw/zinc/80/94/75/596809475.db2.gz BQGJIIVXYFYASG-JYJNAYRXSA-N 2 0 346.537 1.808 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156265 596815804 /nfs/dbraw/zinc/81/58/04/596815804.db2.gz HDHSXWFLQXRLHY-LZWOXQAQSA-N 2 0 338.496 1.840 20 0 EDADRP CN(C)C(=O)c1ccc(NC(=O)C[N@H+](C)CCCCCC[NH3+])cc1 ZINC000872154892 596816088 /nfs/dbraw/zinc/81/60/88/596816088.db2.gz DQNDHLVHBHPIAM-UHFFFAOYSA-N 2 0 334.464 1.778 20 0 EDADRP CCS(=O)(=O)NCCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156471 596816125 /nfs/dbraw/zinc/81/61/25/596816125.db2.gz KBRJHJPVZTWPGN-DOTOQJQBSA-N 2 0 345.553 1.935 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000872274801 596864858 /nfs/dbraw/zinc/86/48/58/596864858.db2.gz COJCMEIPNILGNZ-HUUCEWRRSA-N 2 0 333.480 1.624 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@H]2O)CC1 ZINC000866492468 596893130 /nfs/dbraw/zinc/89/31/30/596893130.db2.gz HFBCIJOEYZHJOK-JKSUJKDBSA-N 2 0 341.496 1.821 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874042040 596905546 /nfs/dbraw/zinc/90/55/46/596905546.db2.gz QWNNPFBYWPPZAR-UHFFFAOYSA-N 2 0 344.503 1.536 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCOC[C@@H]1CC ZINC000875610059 596917783 /nfs/dbraw/zinc/91/77/83/596917783.db2.gz WASPAAVPBBQYAT-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP CC[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875676550 596943402 /nfs/dbraw/zinc/94/34/02/596943402.db2.gz PLTTVJQHKBQPBD-WCXIOVBPSA-N 2 0 340.512 1.325 20 0 EDADRP C[C@@H]1SCC[C@@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875693785 596948974 /nfs/dbraw/zinc/94/89/74/596948974.db2.gz YEWKVJAAIBEYOA-YJNKXOJESA-N 2 0 328.526 1.261 20 0 EDADRP CN(C)c1ncnc2c1cc(C(=O)N1CC[C@H]3[C@@H]1CCC[N@@H+]3C)n2C ZINC000874834199 597190672 /nfs/dbraw/zinc/19/06/72/597190672.db2.gz QWXRCIHPSDGSDJ-KBPBESRZSA-N 2 0 342.447 1.343 20 0 EDADRP COCCO[C@H]1C[C@@H](CO)C[N@H+](Cc2cc3c(s2)CC[NH2+]C3)C1 ZINC000873210309 597229078 /nfs/dbraw/zinc/22/90/78/597229078.db2.gz BPULGIQUHFQDMF-HIFRSBDPSA-N 2 0 340.489 1.240 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CCC34CCOCC4)c2)nn1 ZINC000873245111 597237791 /nfs/dbraw/zinc/23/77/91/597237791.db2.gz XDKRRQFIOMTEMY-KRWDZBQOSA-N 2 0 327.432 1.775 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250315 597240062 /nfs/dbraw/zinc/24/00/62/597240062.db2.gz QRIBUNDHTADWKH-HZPDHXFCSA-N 2 0 330.432 1.346 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000873259698 597241167 /nfs/dbraw/zinc/24/11/67/597241167.db2.gz JVIFHKHTPPVUMO-LUYZLQTOSA-N 2 0 337.489 1.776 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2C[C@H]2c2ccccc2)C[C@H]1C[NH+](C)C ZINC000875153595 597305265 /nfs/dbraw/zinc/30/52/65/597305265.db2.gz YKHCQRBGHSHGET-YRXWBPOGSA-N 2 0 344.503 1.923 20 0 EDADRP C[NH+](C)CCCCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000876725953 597307404 /nfs/dbraw/zinc/30/74/04/597307404.db2.gz RJTJFMUYAANSIO-CYBMUJFWSA-N 2 0 328.254 1.907 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876736491 597314214 /nfs/dbraw/zinc/31/42/14/597314214.db2.gz JNEIATODAGBITI-MSOLQXFVSA-N 2 0 333.451 1.962 20 0 EDADRP CN(C(=O)[C@H]1C[C@@H]([NH3+])C1(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000876742003 597316319 /nfs/dbraw/zinc/31/63/19/597316319.db2.gz MNKSGUKBRDGMQJ-QZTJIDSGSA-N 2 0 344.503 1.920 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876740509 597316894 /nfs/dbraw/zinc/31/68/94/597316894.db2.gz OLONJJFLSQTBSV-BLLLJJGKSA-N 2 0 336.411 1.463 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2c(C[NH3+])cnn2C)[NH+]2CCCC2)cc1 ZINC000876740586 597316989 /nfs/dbraw/zinc/31/69/89/597316989.db2.gz JHRXJNJWRBBBFY-QGZVFWFLSA-N 2 0 341.459 1.754 20 0 EDADRP CN(C(=O)c1cnc(C[NH3+])nc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000876752969 597321782 /nfs/dbraw/zinc/32/17/82/597321782.db2.gz FDVYEUHAXOTSFP-UHFFFAOYSA-N 2 0 329.404 1.152 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000876754073 597323091 /nfs/dbraw/zinc/32/30/91/597323091.db2.gz MFSLOYNRKICUDY-RAQZUPNJSA-N 2 0 330.432 1.151 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876767450 597331203 /nfs/dbraw/zinc/33/12/03/597331203.db2.gz JTKNYJHEKOLNOD-NRSFXHEJSA-N 2 0 333.451 1.961 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000876774917 597335196 /nfs/dbraw/zinc/33/51/96/597335196.db2.gz KCCIDWVGIUMFTF-HZPDHXFCSA-N 2 0 333.480 1.530 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775286 597335467 /nfs/dbraw/zinc/33/54/67/597335467.db2.gz SVUASSIYEFBPFI-CVEARBPZSA-N 2 0 337.508 1.759 20 0 EDADRP CC1(C)[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C[C@@H]1[NH3+] ZINC000876776304 597336578 /nfs/dbraw/zinc/33/65/78/597336578.db2.gz HGURSUXTWHBIIU-ROUUACIJSA-N 2 0 345.487 1.633 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000876781619 597338521 /nfs/dbraw/zinc/33/85/21/597338521.db2.gz PRHXOZWYHHUTNZ-RCMYXZNBSA-N 2 0 342.487 1.928 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@]3(C[NH3+])CCCOC3)cc2)CC1 ZINC000876781515 597338728 /nfs/dbraw/zinc/33/87/28/597338728.db2.gz HODMWQJFNQDPLJ-IBGZPJMESA-N 2 0 346.475 1.523 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876786131 597340153 /nfs/dbraw/zinc/34/01/53/597340153.db2.gz KALUMQIOMOHUSA-ZACQAIPSSA-N 2 0 345.491 1.720 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000876827230 597352393 /nfs/dbraw/zinc/35/23/93/597352393.db2.gz MDYKANLXWVIACG-CQSZACIVSA-N 2 0 336.505 1.989 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@H]([NH3+])c1cccc(C(F)(F)F)c1)C(F)F ZINC000876864446 597362123 /nfs/dbraw/zinc/36/21/23/597362123.db2.gz SLZXSAFMLBADDL-VHSXEESVSA-N 2 0 325.281 1.804 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000876878485 597367152 /nfs/dbraw/zinc/36/71/52/597367152.db2.gz DCQMKKWZGNOAGW-IBGZPJMESA-N 2 0 349.475 1.102 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H](N)C[NH+](C)C)c2)CC1 ZINC000876896568 597375315 /nfs/dbraw/zinc/37/53/15/597375315.db2.gz IDBDZNBUDUSZKU-KRWDZBQOSA-N 2 0 333.480 1.044 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000876965709 597400348 /nfs/dbraw/zinc/40/03/48/597400348.db2.gz IMSUWJAYJWGHSR-YVSFHVDLSA-N 2 0 331.460 1.630 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCc3c[nH]nc32)C[C@H]1C[NH+](C)C ZINC000875390297 597410666 /nfs/dbraw/zinc/41/06/66/597410666.db2.gz AQLPBABKOWXWJW-BZUAXINKSA-N 2 0 348.495 1.168 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NC2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000877032142 597417557 /nfs/dbraw/zinc/41/75/57/597417557.db2.gz ZOSWKTKXENLTCE-GOSISDBHSA-N 2 0 339.524 1.455 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877132569 597439565 /nfs/dbraw/zinc/43/95/65/597439565.db2.gz HQBYSZDOQVJRND-NEWSRXKRSA-N 2 0 345.487 1.639 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000877138833 597440978 /nfs/dbraw/zinc/44/09/78/597440978.db2.gz SQSYJXOFKXWZKM-IPMKNSEASA-N 2 0 338.455 1.899 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877142742 597441978 /nfs/dbraw/zinc/44/19/78/597441978.db2.gz VIUARFLZCNWQAM-AWEZNQCLSA-N 2 0 327.494 1.934 20 0 EDADRP C[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000877142896 597442076 /nfs/dbraw/zinc/44/20/76/597442076.db2.gz AARFQYFMTMINFR-JCHJZTRSSA-N 3 0 346.519 1.520 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000877188794 597456183 /nfs/dbraw/zinc/45/61/83/597456183.db2.gz IXXVVOWBUQZXPT-UHFFFAOYSA-N 2 0 343.475 1.076 20 0 EDADRP CCOC1CC2(C[C@@H]2C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000877199533 597460022 /nfs/dbraw/zinc/46/00/22/597460022.db2.gz VFXAIVGIWOWEJH-SWKXRBFHSA-N 2 0 330.432 1.635 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000875535648 597468507 /nfs/dbraw/zinc/46/85/07/597468507.db2.gz QXDMZPAQPFFVCN-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875545215 597472570 /nfs/dbraw/zinc/47/25/70/597472570.db2.gz QSRQOSJCDPGDAM-GJZGRUSLSA-N 2 0 340.512 1.251 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877285334 597486770 /nfs/dbraw/zinc/48/67/70/597486770.db2.gz ZLZZZSBKXFLXLI-KURKYZTESA-N 2 0 328.460 1.647 20 0 EDADRP O=C(N[C@]12CCC[C@@H]1[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000877389624 597507725 /nfs/dbraw/zinc/50/77/25/597507725.db2.gz FFNSBZZHPQTXMH-AOIWGVFYSA-N 2 0 328.460 1.694 20 0 EDADRP COc1ccc(OC)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877668226 597546410 /nfs/dbraw/zinc/54/64/10/597546410.db2.gz HKZXMYCGIRLTOB-IAGOWNOFSA-N 2 0 335.492 1.875 20 0 EDADRP COCCOc1cccc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877669569 597546414 /nfs/dbraw/zinc/54/64/14/597546414.db2.gz OVMIZMNDUUWOLU-RTBURBONSA-N 2 0 349.519 1.883 20 0 EDADRP Cc1ccc2ncc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n2c1 ZINC000877669750 597546616 /nfs/dbraw/zinc/54/66/16/597546616.db2.gz XRXZBVGZPXYYQJ-IAGOWNOFSA-N 2 0 329.492 1.814 20 0 EDADRP COc1ccc([C@H]2CC[N@H+](CC(=O)NC3CC[NH+](C)CC3)C2)cc1 ZINC000878022061 597569857 /nfs/dbraw/zinc/56/98/57/597569857.db2.gz BDUYVLOLRUHAEV-INIZCTEOSA-N 2 0 331.460 1.695 20 0 EDADRP CCC1(CC)[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C)CC2)C[C@@H]1OC ZINC000878272801 597591761 /nfs/dbraw/zinc/59/17/61/597591761.db2.gz NAQAEOCYPUNVAS-CVEARBPZSA-N 2 0 325.497 1.722 20 0 EDADRP CN(CC[N@H+](C)C[C@@H](O)CC1(O)CCCCC1)C1CC[NH+](C)CC1 ZINC000878311497 597594649 /nfs/dbraw/zinc/59/46/49/597594649.db2.gz NISPSUFAMLRNNI-SFHVURJKSA-N 2 0 341.540 1.390 20 0 EDADRP CN(CC[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1)C1CC[NH+](C)CC1 ZINC000878311418 597594664 /nfs/dbraw/zinc/59/46/64/597594664.db2.gz KXDKVEQRHTXPAV-SFHVURJKSA-N 2 0 339.524 1.672 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC2(CCOCC2)CO1 ZINC000878315932 597594909 /nfs/dbraw/zinc/59/49/09/597594909.db2.gz YFQHOMWOGRPJHH-SFHVURJKSA-N 2 0 339.524 1.532 20 0 EDADRP COc1cccc(OCC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000879593048 597648997 /nfs/dbraw/zinc/64/89/97/597648997.db2.gz BOAVMYMVXBMABW-UHFFFAOYSA-N 2 0 333.476 1.786 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)C[C@H](O)c3ccccc3)CC2)CC1 ZINC000879594578 597649922 /nfs/dbraw/zinc/64/99/22/597649922.db2.gz MXTLBWZWHMCQBU-PMACEKPBSA-N 2 0 347.503 1.183 20 0 EDADRP C[C@H]1C[N@H+](CCCNCc2c3c(nn2C)CCSC3)CCCO1 ZINC000883103801 597651003 /nfs/dbraw/zinc/65/10/03/597651003.db2.gz GLUYJPKNCAWLDS-AWEZNQCLSA-N 2 0 338.521 1.800 20 0 EDADRP CN(CCC[N@H+](C)C[C@H]1CC2(CO1)CCOCC2)CC[NH+](C)C ZINC000878623365 597658801 /nfs/dbraw/zinc/65/88/01/597658801.db2.gz LDSGJXGROSUPNO-QGZVFWFLSA-N 2 0 327.513 1.387 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133849 597662789 /nfs/dbraw/zinc/66/27/89/597662789.db2.gz JMNAFUGBWHEPAB-RYRKJORJSA-N 2 0 343.475 1.929 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883212964 597687193 /nfs/dbraw/zinc/68/71/93/597687193.db2.gz SWXUUGMNLNBMPB-HNNXBMFYSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)C[N@@H+](CC(=O)N(C)Cc1cnn(C)c1)CC1CC[NH+](C)CC1 ZINC000879702556 597694524 /nfs/dbraw/zinc/69/45/24/597694524.db2.gz PWQRPXVKMMNPMK-UHFFFAOYSA-N 2 0 349.523 1.678 20 0 EDADRP [NH3+]CCCOC1CC[NH+](C[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000883418607 597739810 /nfs/dbraw/zinc/73/98/10/597739810.db2.gz MVUHJYJZHKINNN-KRWDZBQOSA-N 2 0 326.481 1.792 20 0 EDADRP CC1(C)C[C@H](C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)C(C)(C)O1 ZINC000883439102 597747368 /nfs/dbraw/zinc/74/73/68/597747368.db2.gz IZBXSAJKQCLUOX-BARDWOONSA-N 2 0 337.464 1.447 20 0 EDADRP NC(=O)C1(N2CCCCC2)CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000883447929 597750909 /nfs/dbraw/zinc/75/09/09/597750909.db2.gz PFLTZDCPSORXIV-UHFFFAOYSA-N 2 0 336.524 1.572 20 0 EDADRP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H](O)CC2(CO)CCCC2)CCO1 ZINC000879001367 597781389 /nfs/dbraw/zinc/78/13/89/597781389.db2.gz VPXLFQJSQLYHKH-DLBZAZTESA-N 2 0 328.497 1.333 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586047 597814635 /nfs/dbraw/zinc/81/46/35/597814635.db2.gz DILRWHYPDYETHQ-YJBOKZPZSA-N 2 0 343.475 1.784 20 0 EDADRP CN(C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1C[NH2+]C1 ZINC000883587001 597815076 /nfs/dbraw/zinc/81/50/76/597815076.db2.gz XFQZXJBTTKPMHS-MRXNPFEDSA-N 2 0 329.448 1.407 20 0 EDADRP O=C(NCC1C[NH2+]C1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586857 597815081 /nfs/dbraw/zinc/81/50/81/597815081.db2.gz UVLCGIMNZPJBBC-QGZVFWFLSA-N 2 0 329.448 1.312 20 0 EDADRP O=C(C[NH2+][C@H](Cn1ccnc1)c1ccccc1)NC[C@H]1CCCO1 ZINC000880568417 597966431 /nfs/dbraw/zinc/96/64/31/597966431.db2.gz YYNBVNHBGWUBHS-IAGOWNOFSA-N 2 0 328.416 1.509 20 0 EDADRP O=C(C[NH2+][C@H](Cn1ccnc1)c1ccccc1)NC[C@@H]1CCCO1 ZINC000880568416 597966694 /nfs/dbraw/zinc/96/66/94/597966694.db2.gz YYNBVNHBGWUBHS-DLBZAZTESA-N 2 0 328.416 1.509 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH2+][C@@H](Cn2ccnc2)c2ccccc2)CCO1 ZINC000880568390 597966699 /nfs/dbraw/zinc/96/66/99/597966699.db2.gz YBCGSLWEXIZHAA-WBVHZDCISA-N 2 0 328.416 1.461 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884212616 598030961 /nfs/dbraw/zinc/03/09/61/598030961.db2.gz JJPAFFICUSJECL-NVXWUHKLSA-N 2 0 326.444 1.638 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)C(F)(F)F ZINC000884303816 598059437 /nfs/dbraw/zinc/05/94/37/598059437.db2.gz YAEXBUGDSXKXTM-AAEUAGOBSA-N 2 0 329.322 1.699 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000914192339 695267642 /nfs/dbraw/zinc/26/76/42/695267642.db2.gz UQFAONCTZXNQAH-CQSZACIVSA-N 2 0 326.510 1.351 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@H]21 ZINC000992837799 695396796 /nfs/dbraw/zinc/39/67/96/695396796.db2.gz WPGPMCJENGOVOB-KBAYOESNSA-N 2 0 347.507 1.685 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)COC3CC[NH+](C)CC3)C[C@@H]21 ZINC000992879583 695423955 /nfs/dbraw/zinc/42/39/55/695423955.db2.gz UXFFZWWIUMADCK-BPQIPLTHSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@@H]3C2)CC1 ZINC000992876093 695425476 /nfs/dbraw/zinc/42/54/76/695425476.db2.gz NOCFUTFWYKKQEG-UAGQMJEPSA-N 2 0 341.471 1.283 20 0 EDADRP Cc1nonc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992907135 695444493 /nfs/dbraw/zinc/44/44/93/695444493.db2.gz NOXNYPXRCFZBRR-BZUAXINKSA-N 2 0 347.463 1.191 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000914982376 695697286 /nfs/dbraw/zinc/69/72/86/695697286.db2.gz DVQBWQHPAHBGJE-CVEARBPZSA-N 2 0 329.510 1.218 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CCN1c1cc[nH+]cc1 ZINC000915266807 695774258 /nfs/dbraw/zinc/77/42/58/695774258.db2.gz IQLGWANZZSHZJX-HNNXBMFYSA-N 2 0 339.443 1.889 20 0 EDADRP C[C@H]1CCC(=O)CN1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000915500704 695935078 /nfs/dbraw/zinc/93/50/78/695935078.db2.gz PWICOICFULQJKK-AWEZNQCLSA-N 2 0 336.480 1.308 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CC1CC1 ZINC000993367173 696015259 /nfs/dbraw/zinc/01/52/59/696015259.db2.gz QELIDOBHKIAZRF-ZBFHGGJFSA-N 2 0 333.480 1.437 20 0 EDADRP O=S(=O)([C@@H]1CCC[NH2+]C1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000923597461 696077769 /nfs/dbraw/zinc/07/77/69/696077769.db2.gz DXLVOINLPOZYSD-MRXNPFEDSA-N 2 0 329.510 1.266 20 0 EDADRP C[C@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccnn1C ZINC000993927396 696446982 /nfs/dbraw/zinc/44/69/82/696446982.db2.gz LZXJFWVFABIOHH-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC000994211249 696583617 /nfs/dbraw/zinc/58/36/17/696583617.db2.gz YHHAQYKGRAHSSH-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1ccns1 ZINC000994252353 696648420 /nfs/dbraw/zinc/64/84/20/696648420.db2.gz LGDGXTFGLTVTDD-HOCLYGCPSA-N 2 0 348.516 1.751 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)on1 ZINC000940007974 700109156 /nfs/dbraw/zinc/10/91/56/700109156.db2.gz CAEKLOIOEAGBEI-AWEZNQCLSA-N 2 0 336.436 1.248 20 0 EDADRP COc1nccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940007990 700109538 /nfs/dbraw/zinc/10/95/38/700109538.db2.gz CSELWKZVSBWVDR-HNNXBMFYSA-N 2 0 347.463 1.050 20 0 EDADRP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000940008308 700109825 /nfs/dbraw/zinc/10/98/25/700109825.db2.gz IKAKKNJAPOLPSJ-INIZCTEOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000940008363 700109942 /nfs/dbraw/zinc/10/99/42/700109942.db2.gz KPJNNZGPYVSJNM-INIZCTEOSA-N 2 0 333.480 1.293 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC000940008597 700110335 /nfs/dbraw/zinc/11/03/35/700110335.db2.gz VEOHKHULBMDHFQ-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC1CC[NH+](C)CC1)c1cccnc1 ZINC000916874101 696803793 /nfs/dbraw/zinc/80/37/93/696803793.db2.gz OYHUUKOPAVNOOQ-QGZVFWFLSA-N 2 0 333.480 1.715 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000917889663 697103543 /nfs/dbraw/zinc/10/35/43/697103543.db2.gz HFUWSJVFYNOPQT-PMPSAXMXSA-N 2 0 340.537 1.740 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](CNC(=O)CC[NH+](C)C)CC1 ZINC001060737417 697352704 /nfs/dbraw/zinc/35/27/04/697352704.db2.gz RMADTEIKEXRXNI-WKILWMFISA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1CN(CCO[C@@H]2CC2(F)F)C1 ZINC001031666870 697452179 /nfs/dbraw/zinc/45/21/79/697452179.db2.gz SRLUJCIRHSVUPZ-LSDHHAIUSA-N 2 0 345.434 1.331 20 0 EDADRP CCc1nocc1CN1CC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)C1 ZINC001031668508 697460873 /nfs/dbraw/zinc/46/08/73/697460873.db2.gz HYVLMYXKRYNSNE-NVXWUHKLSA-N 2 0 346.475 1.659 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1)C(C)(C)C[NH+](C)C ZINC000921388948 697588114 /nfs/dbraw/zinc/58/81/14/697588114.db2.gz WVMQPIMGANLBMK-HOCLYGCPSA-N 2 0 340.512 1.515 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC[C@@H]2CCOC2)C1 ZINC001031715542 697736992 /nfs/dbraw/zinc/73/69/92/697736992.db2.gz VGHNEWCODJDZGH-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000237668521 698279071 /nfs/dbraw/zinc/27/90/71/698279071.db2.gz UZJVFZFTTUUKLR-GOSISDBHSA-N 2 0 347.503 1.972 20 0 EDADRP CC1([NH2+]Cc2ccon2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940111297 700225799 /nfs/dbraw/zinc/22/57/99/700225799.db2.gz AVMFXOJULPPNCI-INIZCTEOSA-N 2 0 332.448 1.487 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000940114836 700229589 /nfs/dbraw/zinc/22/95/89/700229589.db2.gz BTGIFJOECUMAAR-MRXNPFEDSA-N 2 0 346.475 1.796 20 0 EDADRP C#CC[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC1 ZINC000068919333 698991626 /nfs/dbraw/zinc/99/16/26/698991626.db2.gz DSJGLHFLJVVJIO-UHFFFAOYSA-N 2 0 340.471 1.722 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@H]2C)on1 ZINC000939128705 699207669 /nfs/dbraw/zinc/20/76/69/699207669.db2.gz OEWXCZGWWCTEPU-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)N(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CC1 ZINC000183286387 701575870 /nfs/dbraw/zinc/57/58/70/701575870.db2.gz MFFLSOXSTUWZDC-HDICACEKSA-N 2 0 341.455 1.934 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cncs1 ZINC000939256845 699433938 /nfs/dbraw/zinc/43/39/38/699433938.db2.gz FMHUILKSBULETD-CJNGLKHVSA-N 2 0 336.505 1.812 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)c1ccn2c[nH+]cc2c1 ZINC001031816368 699516394 /nfs/dbraw/zinc/51/63/94/699516394.db2.gz BHRPLPHFDRTUDL-SFHVURJKSA-N 2 0 342.443 1.955 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939396540 699546438 /nfs/dbraw/zinc/54/64/38/699546438.db2.gz KAJCBVDGTLRRKA-FUHWJXTLSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCn3cccn3)C2)CC1 ZINC000939445645 699578669 /nfs/dbraw/zinc/57/86/69/699578669.db2.gz BKNLRRROKIOZHU-AEFFLSMTSA-N 2 0 347.507 1.440 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995164998 701604718 /nfs/dbraw/zinc/60/47/18/701604718.db2.gz CMNQNBHOLAQMEC-CABCVRRESA-N 2 0 332.448 1.453 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)o1 ZINC000939535633 699676454 /nfs/dbraw/zinc/67/64/54/699676454.db2.gz RCIWLHCGHJZJAW-ABAIWWIYSA-N 2 0 331.420 1.204 20 0 EDADRP Cc1nc(CC[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cs1 ZINC000939543010 699683717 /nfs/dbraw/zinc/68/37/17/699683717.db2.gz BCMFXCBRLHWSTJ-BBRMVZONSA-N 2 0 348.516 1.526 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cc(F)cc(F)c1 ZINC000939543400 699684385 /nfs/dbraw/zinc/68/43/85/699684385.db2.gz COUIGNFDRJSWLY-DYVFJYSZSA-N 2 0 349.425 1.997 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c1 ZINC000939752773 699902237 /nfs/dbraw/zinc/90/22/37/699902237.db2.gz ACJLNEDVIFXAEU-MAUKXSAKSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939755905 699922309 /nfs/dbraw/zinc/92/23/09/699922309.db2.gz RRBVKDWZTOTRHO-AAEUAGOBSA-N 2 0 342.896 1.829 20 0 EDADRP CCCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939756320 699922958 /nfs/dbraw/zinc/92/29/58/699922958.db2.gz TUPSKRSYQMRMHU-GDBMZVCRSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccccc1N(C)C ZINC000939756732 699923244 /nfs/dbraw/zinc/92/32/44/699923244.db2.gz WDBQIXZMJZWSCY-WMZOPIPTSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939810544 699958898 /nfs/dbraw/zinc/95/88/98/699958898.db2.gz NNHUOUMDJFQTRK-RDJZCZTQSA-N 2 0 333.480 1.233 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940142310 700270689 /nfs/dbraw/zinc/27/06/89/700270689.db2.gz OOGLKOHYWCFBEV-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)on1 ZINC000940147880 700279821 /nfs/dbraw/zinc/27/98/21/700279821.db2.gz HUOAXZGLDALXDD-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000940164683 700299655 /nfs/dbraw/zinc/29/96/55/700299655.db2.gz UUBWJWXSWJIPER-KRWDZBQOSA-N 2 0 349.523 1.960 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nccnc2C)CC1)[NH+](C)C ZINC000940176287 700308387 /nfs/dbraw/zinc/30/83/87/700308387.db2.gz CTURUGWOGGRLGK-MRXNPFEDSA-N 2 0 333.480 1.596 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)o2)CC1)[NH+](C)C ZINC000940176385 700308940 /nfs/dbraw/zinc/30/89/40/700308940.db2.gz IGBSIVNGWMUVPL-CQSZACIVSA-N 2 0 349.479 1.758 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000940179055 700312579 /nfs/dbraw/zinc/31/25/79/700312579.db2.gz QEFZDTGKVFUKMS-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000940179511 700313165 /nfs/dbraw/zinc/31/31/65/700313165.db2.gz WKKOHYCEPLZIJC-CQSZACIVSA-N 2 0 335.452 1.333 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200310 700358616 /nfs/dbraw/zinc/35/86/16/700358616.db2.gz KMYBIMPBVHMQIU-UHFFFAOYSA-N 2 0 333.436 1.169 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)CC1 ZINC000940296802 700469230 /nfs/dbraw/zinc/46/92/30/700469230.db2.gz XQIMENGXCWURNL-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3cnn(C)n3)CC2)CC[N@@H+]1C ZINC000940282282 700471255 /nfs/dbraw/zinc/47/12/55/700471255.db2.gz LSNFKUNTVYNHFD-GJZGRUSLSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940329247 700508498 /nfs/dbraw/zinc/50/84/98/700508498.db2.gz SHVHIKMWEXCJNM-UONOGXRCSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168164 701658861 /nfs/dbraw/zinc/65/88/61/701658861.db2.gz MVFUWFHYRYMNTL-HUUCEWRRSA-N 2 0 332.448 1.453 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940471939 700657169 /nfs/dbraw/zinc/65/71/69/700657169.db2.gz CKZJQFLSDAROSX-UHFFFAOYSA-N 2 0 347.507 1.767 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940618199 700799984 /nfs/dbraw/zinc/79/99/84/700799984.db2.gz QLFUNPAGQPKDDE-HOTGVXAUSA-N 2 0 333.480 1.194 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC000940945173 701010682 /nfs/dbraw/zinc/01/06/82/701010682.db2.gz XSSAUKVKQNTXAW-HNNXBMFYSA-N 2 0 325.497 1.724 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941003419 701042815 /nfs/dbraw/zinc/04/28/15/701042815.db2.gz WQFRKNLUCIUCJZ-HOCLYGCPSA-N 2 0 325.497 1.580 20 0 EDADRP COC[C@H](C)[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001031921939 701071416 /nfs/dbraw/zinc/07/14/16/701071416.db2.gz OAQTTWSNKIZVNH-YJBOKZPZSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)C1 ZINC000941033987 701077412 /nfs/dbraw/zinc/07/74/12/701077412.db2.gz ZDVTXEWBSXZPTM-WBVHZDCISA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC000995119205 701103885 /nfs/dbraw/zinc/10/38/85/701103885.db2.gz WGJBRLLEXNCXEH-UKRRQHHQSA-N 2 0 330.436 1.069 20 0 EDADRP CCO[C@H](CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C[NH+](C)C ZINC000921677953 706602002 /nfs/dbraw/zinc/60/20/02/706602002.db2.gz HCVGLLLCJDPBAE-KURKYZTESA-N 2 0 348.491 1.698 20 0 EDADRP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1)OC ZINC000946518373 706602288 /nfs/dbraw/zinc/60/22/88/706602288.db2.gz RQWVHNYAGUWLHR-XDNAFOTISA-N 2 0 337.508 1.676 20 0 EDADRP CC1CC(C[NH+]2CC(N3CCN(C(=O)C4([NH+](C)C)CCC4)CC3)C2)C1 ZINC000941437026 701540245 /nfs/dbraw/zinc/54/02/45/701540245.db2.gz OVSAWSQHAKGVJX-UHFFFAOYSA-N 2 0 348.535 1.345 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]([NH2+]CC3CCC3)C2)n1 ZINC000999181340 706608717 /nfs/dbraw/zinc/60/87/17/706608717.db2.gz KQWUGEQYLPJOIA-MRXNPFEDSA-N 2 0 333.480 1.439 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@H]([NH2+]CCC3CC3)C2)n1 ZINC000999184014 706612378 /nfs/dbraw/zinc/61/23/78/706612378.db2.gz YTCBYGFZFSULAN-INIZCTEOSA-N 2 0 333.480 1.439 20 0 EDADRP O=C(NCC1C[NH+]([C@@H]2CCc3ccccc32)C1)C12CC[NH+](CC1)C2 ZINC001032130085 701833172 /nfs/dbraw/zinc/83/31/72/701833172.db2.gz FTAOMRKGOJSRIO-GOSISDBHSA-N 2 0 325.456 1.818 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)O1 ZINC001032132044 701859180 /nfs/dbraw/zinc/85/91/80/701859180.db2.gz GGTWFGGWJDFNLQ-DZGCQCFKSA-N 2 0 332.448 1.377 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995919459 702239710 /nfs/dbraw/zinc/23/97/10/702239710.db2.gz RFNSLCBBKKEKTA-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995982923 702343731 /nfs/dbraw/zinc/34/37/31/702343731.db2.gz QQAUQCIRZIFKCM-HOTGVXAUSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995994424 702372183 /nfs/dbraw/zinc/37/21/83/702372183.db2.gz DKJGZTAFMPCYRL-MRXNPFEDSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)nn1C ZINC000999225615 706683897 /nfs/dbraw/zinc/68/38/97/706683897.db2.gz YHZOXXOWVREZLF-UHFFFAOYSA-N 2 0 347.507 1.682 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996224458 702634328 /nfs/dbraw/zinc/63/43/28/702634328.db2.gz WGCKSXSISVXCPA-QGZVFWFLSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)sn1 ZINC000995209519 702675502 /nfs/dbraw/zinc/67/55/02/702675502.db2.gz KHCSETFIPMIRLI-GJZGRUSLSA-N 2 0 336.505 1.922 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996299670 702690096 /nfs/dbraw/zinc/69/00/96/702690096.db2.gz BYMFULWIKKJJOS-HZPDHXFCSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](CCCO)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942205325 702710567 /nfs/dbraw/zinc/71/05/67/702710567.db2.gz RFUBDKPFPGKGAB-CXAGYDPISA-N 2 0 330.432 1.465 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCCO)C[C@H]2C)ccc2c[nH+]cn21 ZINC000942205326 702710766 /nfs/dbraw/zinc/71/07/66/702710766.db2.gz RFUBDKPFPGKGAB-DYVFJYSZSA-N 2 0 330.432 1.465 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000996519262 702854995 /nfs/dbraw/zinc/85/49/95/702854995.db2.gz KCZMGNCLIFPSNL-JKSUJKDBSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)s1 ZINC000996522123 702857919 /nfs/dbraw/zinc/85/79/19/702857919.db2.gz VZUKWEZGDLYILT-OAHLLOKOSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559844 702878039 /nfs/dbraw/zinc/87/80/39/702878039.db2.gz FXVLKIADEPFEAA-INIZCTEOSA-N 2 0 332.448 1.405 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000996607500 702910603 /nfs/dbraw/zinc/91/06/03/702910603.db2.gz OZJWQQUVUZAPNX-GDBMZVCRSA-N 2 0 348.495 1.027 20 0 EDADRP C[C@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1cnccn1 ZINC000996611630 702917066 /nfs/dbraw/zinc/91/70/66/702917066.db2.gz NDMNJFCEXJFTFG-HOCLYGCPSA-N 2 0 331.464 1.460 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996615004 702922247 /nfs/dbraw/zinc/92/22/47/702922247.db2.gz ONGQDAJTWHCHIZ-DLBZAZTESA-N 2 0 347.507 1.224 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996663630 702961777 /nfs/dbraw/zinc/96/17/77/702961777.db2.gz HXTJMGOIUWFDHM-OAHLLOKOSA-N 2 0 345.491 1.911 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)nn1 ZINC000996663893 702962055 /nfs/dbraw/zinc/96/20/55/702962055.db2.gz ACSVYPXRSDROOS-UHFFFAOYSA-N 2 0 348.495 1.424 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996676382 702975542 /nfs/dbraw/zinc/97/55/42/702975542.db2.gz HGTLBRHIMPMXPV-KSSFIOAISA-N 2 0 345.491 1.767 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000996677445 702976645 /nfs/dbraw/zinc/97/66/45/702976645.db2.gz JQUKGHACCAUJNI-QGZVFWFLSA-N 2 0 334.464 1.658 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996686029 702984034 /nfs/dbraw/zinc/98/40/34/702984034.db2.gz CEWKWOOYJMTSPB-CZUORRHYSA-N 2 0 349.479 1.894 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000996711898 703006878 /nfs/dbraw/zinc/00/68/78/703006878.db2.gz MZDXFWLJCQXGEH-DLBZAZTESA-N 2 0 345.491 1.518 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000996718325 703012118 /nfs/dbraw/zinc/01/21/18/703012118.db2.gz NMDAJLHFUDIMLJ-AEFFLSMTSA-N 2 0 345.491 1.518 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996721763 703016691 /nfs/dbraw/zinc/01/66/91/703016691.db2.gz ZSCATYJDGVTKRS-ROUUACIJSA-N 2 0 345.491 1.481 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000996725145 703019764 /nfs/dbraw/zinc/01/97/64/703019764.db2.gz SEKFQGBCOIZRSX-VMWRSERWSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)c3cc4c[nH]ccc-4n3)CC2)[nH]1 ZINC000996727983 703022824 /nfs/dbraw/zinc/02/28/24/703022824.db2.gz INMRVVIPMRJFFI-UHFFFAOYSA-N 2 0 339.403 1.384 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000996728313 703023117 /nfs/dbraw/zinc/02/31/17/703023117.db2.gz IQCWMZFBCRWLPQ-SFHVURJKSA-N 2 0 330.476 1.955 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996755310 703044297 /nfs/dbraw/zinc/04/42/97/703044297.db2.gz CAGYHGVNSKQMPU-INIZCTEOSA-N 2 0 335.452 1.271 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001032027413 703049473 /nfs/dbraw/zinc/04/94/73/703049473.db2.gz RCCBABXMYPOXNU-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996767880 703059386 /nfs/dbraw/zinc/05/93/86/703059386.db2.gz VGXYMRGIIYDWQV-UHFFFAOYSA-N 2 0 332.448 1.692 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996771623 703061705 /nfs/dbraw/zinc/06/17/05/703061705.db2.gz QRRDMEXNDIJWDL-UHFFFAOYSA-N 2 0 346.475 1.946 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996771775 703061974 /nfs/dbraw/zinc/06/19/74/703061974.db2.gz TZAZSUNWIJVQLM-UHFFFAOYSA-N 2 0 349.504 1.556 20 0 EDADRP CC(C)N1CC[NH+](C2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000996801203 703087320 /nfs/dbraw/zinc/08/73/20/703087320.db2.gz FBXMPBUXUWJOCG-AOCRQIFASA-N 2 0 336.524 1.392 20 0 EDADRP O=C([C@H]1COCCN1CC1CCC1)N1CCC([NH2+]CCC2CC2)CC1 ZINC000996865667 703147537 /nfs/dbraw/zinc/14/75/37/703147537.db2.gz SEKKSTFABCKHCA-LJQANCHMSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000996911023 703181538 /nfs/dbraw/zinc/18/15/38/703181538.db2.gz NQGLIXYSTAOXIP-CRAIPNDOSA-N 2 0 337.508 1.745 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996945909 703214727 /nfs/dbraw/zinc/21/47/27/703214727.db2.gz KLJRFMJGZZXNEW-UHFFFAOYSA-N 2 0 333.480 1.325 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nc1 ZINC000996947110 703216877 /nfs/dbraw/zinc/21/68/77/703216877.db2.gz SSYMWBNLTOFKGP-UHFFFAOYSA-N 2 0 331.464 1.207 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)CC1 ZINC000996956150 703225134 /nfs/dbraw/zinc/22/51/34/703225134.db2.gz SUIYLLGRINBKJQ-QGZVFWFLSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000996979667 703234749 /nfs/dbraw/zinc/23/47/49/703234749.db2.gz ODTATDMCIRILGR-PBHICJAKSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000997000285 703257368 /nfs/dbraw/zinc/25/73/68/703257368.db2.gz OUPSSGUWGXFGGM-AWEZNQCLSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)c(C)o1 ZINC000997001195 703257981 /nfs/dbraw/zinc/25/79/81/703257981.db2.gz SSPWIKXBMPEDDC-CYBMUJFWSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000997008996 703263551 /nfs/dbraw/zinc/26/35/51/703263551.db2.gz NUIRHKMZLJQDIS-SUMWQHHRSA-N 2 0 333.480 1.007 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CCc2cnn(CC)c2)CC1)[NH+](C)C ZINC000997014790 703273790 /nfs/dbraw/zinc/27/37/90/703273790.db2.gz KEPGERWVSJXPHD-KRWDZBQOSA-N 2 0 335.496 1.366 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC[C@H]3CCOC3)CC2)CC1 ZINC000997056143 703301768 /nfs/dbraw/zinc/30/17/68/703301768.db2.gz BAFMBKHQCNUWSK-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC000997058961 703304252 /nfs/dbraw/zinc/30/42/52/703304252.db2.gz STQSQWDJYPDOHN-OAHLLOKOSA-N 2 0 345.491 1.850 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1)[NH+]1CCCCCC1 ZINC000997060740 703305785 /nfs/dbraw/zinc/30/57/85/703305785.db2.gz JHGRMPFOJXMDJR-INIZCTEOSA-N 2 0 347.507 1.765 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997065066 703309628 /nfs/dbraw/zinc/30/96/28/703309628.db2.gz YIHPLQQWHFXEEA-SFHVURJKSA-N 2 0 347.507 1.727 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CC2)[nH]1 ZINC000997086572 703332254 /nfs/dbraw/zinc/33/22/54/703332254.db2.gz ADHWPBAQXOBDPK-HOTGVXAUSA-N 2 0 346.479 1.211 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921529692 703390321 /nfs/dbraw/zinc/39/03/21/703390321.db2.gz OGSXDVLHGBPJCD-CQSZACIVSA-N 2 0 348.520 1.659 20 0 EDADRP Cn1nc2c(c1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1)COCC2 ZINC000921546462 703419080 /nfs/dbraw/zinc/41/90/80/703419080.db2.gz KJZFLVUCNQXHAX-UHFFFAOYSA-N 2 0 344.459 1.723 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997185075 703473981 /nfs/dbraw/zinc/47/39/81/703473981.db2.gz PFPKLRFTRWZCGG-ZDUSSCGKSA-N 2 0 329.435 1.954 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000997185215 703474171 /nfs/dbraw/zinc/47/41/71/703474171.db2.gz FPYGPKDTULAWOE-UHFFFAOYSA-N 2 0 342.447 1.276 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000997189449 703479670 /nfs/dbraw/zinc/47/96/70/703479670.db2.gz YKWLFUIVMHRLIG-UHFFFAOYSA-N 2 0 345.472 1.999 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000997261382 703540186 /nfs/dbraw/zinc/54/01/86/703540186.db2.gz OOZJIBIXDJYXGT-BPQIPLTHSA-N 2 0 337.508 1.866 20 0 EDADRP CCc1cc(NC[C@@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)nc(C)n1 ZINC001060824978 703554621 /nfs/dbraw/zinc/55/46/21/703554621.db2.gz MKSYAGYJXNRMIG-GOEBONIOSA-N 2 0 331.464 1.702 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2ncc(Cl)s2)CC1 ZINC000997307818 703566144 /nfs/dbraw/zinc/56/61/44/703566144.db2.gz WMMAHFHXSSTCIP-UHFFFAOYSA-N 2 0 342.896 1.973 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]C[C@H](O)c2ccc(F)cc2)CC1 ZINC000997307943 703566178 /nfs/dbraw/zinc/56/61/78/703566178.db2.gz XUGYZCXPZSTVPT-SFHVURJKSA-N 2 0 349.450 1.536 20 0 EDADRP Cc1nc(N)sc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000387263270 703580238 /nfs/dbraw/zinc/58/02/38/703580238.db2.gz GVFSDTMQXOXGOT-UHFFFAOYSA-N 2 0 327.498 1.210 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC([NH2+]Cc3cnon3)CC2)c1 ZINC000997360690 703591022 /nfs/dbraw/zinc/59/10/22/703591022.db2.gz QWSLYQCIUBBHJR-UHFFFAOYSA-N 2 0 343.431 1.526 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1cnccn1 ZINC000997363454 703597119 /nfs/dbraw/zinc/59/71/19/703597119.db2.gz GETQFUSMFKQGIA-MRXNPFEDSA-N 2 0 345.491 1.994 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC000997366311 703600114 /nfs/dbraw/zinc/60/01/14/703600114.db2.gz BSXZJDIANPOABX-GOSISDBHSA-N 2 0 347.507 1.858 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000997367127 703601502 /nfs/dbraw/zinc/60/15/02/703601502.db2.gz UVDWXAXULSXEIA-CZUORRHYSA-N 2 0 349.479 1.894 20 0 EDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001032488246 703760784 /nfs/dbraw/zinc/76/07/84/703760784.db2.gz XRARSNGVWNHPMP-PVAVHDDUSA-N 2 0 337.508 1.959 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997517320 703767306 /nfs/dbraw/zinc/76/73/06/703767306.db2.gz ZZEDJBPIRSGWFO-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)C1 ZINC000999280126 706773097 /nfs/dbraw/zinc/77/30/97/706773097.db2.gz UKLKDKALMCRSMH-GTPINHCMSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001004204735 703944386 /nfs/dbraw/zinc/94/43/86/703944386.db2.gz VWXVOEBTNQDECB-GASCZTMLSA-N 2 0 347.507 1.682 20 0 EDADRP CCn1nc(C)c(CN[C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995550484 703953609 /nfs/dbraw/zinc/95/36/09/703953609.db2.gz JQHBZKKYJUPVQA-CVEARBPZSA-N 2 0 348.495 1.027 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000997653391 703969228 /nfs/dbraw/zinc/96/92/28/703969228.db2.gz KNAIOZCTNGJTKJ-WMZOPIPTSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677472 704031690 /nfs/dbraw/zinc/03/16/90/704031690.db2.gz QGYMWWVHSAOWCC-KBPBESRZSA-N 2 0 330.432 1.545 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033071339 704092613 /nfs/dbraw/zinc/09/26/13/704092613.db2.gz ZHCAVNNSFJLACU-IRXDYDNUSA-N 2 0 333.480 1.289 20 0 EDADRP Cc1nocc1CN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070173 704099691 /nfs/dbraw/zinc/09/96/91/704099691.db2.gz ORMDOPXFXRWCSL-DLBZAZTESA-N 2 0 334.464 1.889 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946586604 704119726 /nfs/dbraw/zinc/11/97/26/704119726.db2.gz ONDRPJUACWWIQA-KSZLIROESA-N 2 0 337.508 1.412 20 0 EDADRP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591082 704200516 /nfs/dbraw/zinc/20/05/16/704200516.db2.gz NAADDQHSHFYNSZ-YSHGAJCASA-N 2 0 349.519 1.534 20 0 EDADRP Cc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CN(C)CCO3)CC2(C)C)c1 ZINC000995593498 704560101 /nfs/dbraw/zinc/56/01/01/704560101.db2.gz ZMGBGYXGZOUQOM-MSOLQXFVSA-N 2 0 345.487 1.652 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997737901 704635273 /nfs/dbraw/zinc/63/52/73/704635273.db2.gz ZFMOPBOIXBMJOQ-GJZGRUSLSA-N 2 0 325.497 1.580 20 0 EDADRP O=C(CCN1CCOCC1)N1CC[C@@]2(C1)CCC[N@H+](CC1CC1)C2 ZINC001040455156 704654472 /nfs/dbraw/zinc/65/44/72/704654472.db2.gz ZUDGPVBPNURBBW-IBGZPJMESA-N 2 0 335.492 1.433 20 0 EDADRP O=C([C@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997780181 704682451 /nfs/dbraw/zinc/68/24/51/704682451.db2.gz ITXMDNQTUHGUQV-DOTOQJQBSA-N 2 0 347.463 1.272 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000997815867 704736963 /nfs/dbraw/zinc/73/69/63/704736963.db2.gz BAFMISQVTOKEMB-HOTGVXAUSA-N 2 0 339.524 1.704 20 0 EDADRP CCn1ncc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000997822291 704742225 /nfs/dbraw/zinc/74/22/25/704742225.db2.gz AQQPTNLZTAWSRV-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C1CC1 ZINC000997829650 704748180 /nfs/dbraw/zinc/74/81/80/704748180.db2.gz BDOPDFOAFBLMOL-WMZOPIPTSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000997836280 704753615 /nfs/dbraw/zinc/75/36/15/704753615.db2.gz HZOUJAOVDMYLFX-DLBZAZTESA-N 2 0 349.519 1.726 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000997844082 704759598 /nfs/dbraw/zinc/75/95/98/704759598.db2.gz MCRNBCVQFZBXTI-KRWDZBQOSA-N 2 0 336.480 1.897 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)on1 ZINC000997865146 704772438 /nfs/dbraw/zinc/77/24/38/704772438.db2.gz LSMMMVDEIDNEMX-KRWDZBQOSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1cnccn1 ZINC000997865270 704772589 /nfs/dbraw/zinc/77/25/89/704772589.db2.gz NBOUNSSFAVNPGI-QAPCUYQASA-N 2 0 345.491 1.850 20 0 EDADRP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997865659 704772868 /nfs/dbraw/zinc/77/28/68/704772868.db2.gz GPYVZNDGTYYRLK-RDJZCZTQSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cnc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997865653 704773000 /nfs/dbraw/zinc/77/30/00/704773000.db2.gz GPYVZNDGTYYRLK-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)cn1 ZINC000998080926 705300127 /nfs/dbraw/zinc/30/01/27/705300127.db2.gz GAKZCKAWZPQYSX-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998081249 705301854 /nfs/dbraw/zinc/30/18/54/705301854.db2.gz HUYDPYKHGKJYSY-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998083612 705312768 /nfs/dbraw/zinc/31/27/68/705312768.db2.gz WVADFSRZJIXAJP-MRXNPFEDSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000998084094 705314572 /nfs/dbraw/zinc/31/45/72/705314572.db2.gz ZNYVIOMOMLUKIT-KGLIPLIRSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1ncsc1CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602747 705409970 /nfs/dbraw/zinc/40/99/70/705409970.db2.gz ZFLLHOUOOZRUGG-GJZGRUSLSA-N 2 0 334.489 1.578 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)CC1 ZINC000998174566 705469226 /nfs/dbraw/zinc/46/92/26/705469226.db2.gz DMYCZHVMYPLJIE-UHFFFAOYSA-N 2 0 335.452 1.130 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1nncn1C ZINC000998216732 705538768 /nfs/dbraw/zinc/53/87/68/705538768.db2.gz KHUOLSFHCFMRLM-GOEBONIOSA-N 2 0 348.495 1.046 20 0 EDADRP Cc1cncc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000998269895 705646937 /nfs/dbraw/zinc/64/69/37/705646937.db2.gz QCTMOMNNYNZWCY-UHFFFAOYSA-N 2 0 330.476 1.814 20 0 EDADRP COc1cc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)on1 ZINC000998270634 705649410 /nfs/dbraw/zinc/64/94/10/705649410.db2.gz WTKUSDZJASVXBT-UHFFFAOYSA-N 2 0 336.436 1.107 20 0 EDADRP COc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000998272384 705655898 /nfs/dbraw/zinc/65/58/98/705655898.db2.gz KKTDGCJLFMJTPD-MRXNPFEDSA-N 2 0 346.475 1.370 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000998288364 705684127 /nfs/dbraw/zinc/68/41/27/705684127.db2.gz UWSANKIBOURQQN-QGZVFWFLSA-N 2 0 349.479 1.581 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)c(C)s1 ZINC000998551880 705982399 /nfs/dbraw/zinc/98/23/99/705982399.db2.gz ROSBMUPXQFBUGD-ZBCRRDGASA-N 2 0 336.505 1.933 20 0 EDADRP CCOc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000998719069 706150845 /nfs/dbraw/zinc/15/08/45/706150845.db2.gz FIEJKYNPHPDMDC-IAGOWNOFSA-N 2 0 346.475 1.655 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998724632 706156279 /nfs/dbraw/zinc/15/62/79/706156279.db2.gz UZWBGVOLXFNBAM-YOEHRIQHSA-N 2 0 334.464 1.720 20 0 EDADRP COc1ccc(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998728031 706158357 /nfs/dbraw/zinc/15/83/57/706158357.db2.gz BCMIWDMASAWNTE-HKUYNNGSSA-N 2 0 345.487 1.913 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998730769 706163419 /nfs/dbraw/zinc/16/34/19/706163419.db2.gz KTFPLASYYXSFJA-CABCVRRESA-N 2 0 339.871 1.211 20 0 EDADRP CCn1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)nn1 ZINC000998763925 706205183 /nfs/dbraw/zinc/20/51/83/706205183.db2.gz QBOQBGJOKONTDC-BDVYOWHSSA-N 2 0 348.495 1.250 20 0 EDADRP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC000998845106 706287261 /nfs/dbraw/zinc/28/72/61/706287261.db2.gz YQVJLAAMOSXQDA-XGNXJENSSA-N 2 0 325.478 1.383 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999834879 707468228 /nfs/dbraw/zinc/46/82/28/707468228.db2.gz ZJERIMALBGCSBP-UHFFFAOYSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1noc(C[NH+]2C[C@@H]3CCN(C(=O)[C@@H]4CCC[N@H+]4C)CC[C@@H]3C2)n1 ZINC000946517462 706527612 /nfs/dbraw/zinc/52/76/12/706527612.db2.gz DPLORFIFAKOBKZ-XHSDSOJGSA-N 2 0 347.463 1.143 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CCC2CC2)C1 ZINC000999143432 706556747 /nfs/dbraw/zinc/55/67/47/706556747.db2.gz NNTJYLLZXJTIRZ-YMVOSSCXSA-N 2 0 333.476 1.229 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999355255 706844916 /nfs/dbraw/zinc/84/49/16/706844916.db2.gz TZHLYWJCGVPNNM-MSOLQXFVSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999353334 706866630 /nfs/dbraw/zinc/86/66/30/706866630.db2.gz MEEMSFJRIBTQNO-QZTJIDSGSA-N 2 0 347.507 1.727 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999373599 706867901 /nfs/dbraw/zinc/86/79/01/706867901.db2.gz QUWOQPDZSRVYRW-QZTJIDSGSA-N 2 0 347.507 1.366 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)ccn1 ZINC000999363394 706876888 /nfs/dbraw/zinc/87/68/88/706876888.db2.gz HFLNDQAJVQYPCW-INIZCTEOSA-N 2 0 346.475 1.655 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC000999398003 706892572 /nfs/dbraw/zinc/89/25/72/706892572.db2.gz ASERPCQAUNSJHF-HZPDHXFCSA-N 2 0 348.495 1.253 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999402069 706910256 /nfs/dbraw/zinc/91/02/56/706910256.db2.gz DGHZRBYVGLPBCM-UHFFFAOYSA-N 2 0 330.476 1.893 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)n1 ZINC000999406942 706916569 /nfs/dbraw/zinc/91/65/69/706916569.db2.gz CATPWPGEERMWCT-UHFFFAOYSA-N 2 0 347.507 1.714 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999505058 707002373 /nfs/dbraw/zinc/00/23/73/707002373.db2.gz GVIUGLXAMWWSPG-VMWRSERWSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)cn1 ZINC000999507718 707005256 /nfs/dbraw/zinc/00/52/56/707005256.db2.gz DMPQDIIWULJVCJ-WBVHZDCISA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC000999508304 707005667 /nfs/dbraw/zinc/00/56/67/707005667.db2.gz IHVUVZYJLGBAMK-UHFFFAOYSA-N 2 0 347.507 1.539 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(CO)cc2)C1)[NH+](C)C ZINC000999491556 707028054 /nfs/dbraw/zinc/02/80/54/707028054.db2.gz VWAXGNFPPFJJJW-QZTJIDSGSA-N 2 0 333.476 1.600 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999493915 707030796 /nfs/dbraw/zinc/03/07/96/707030796.db2.gz MZIGCOSVZHIXQY-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999573380 707079638 /nfs/dbraw/zinc/07/96/38/707079638.db2.gz IOBFPVVHALHUIR-AEFFLSMTSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999575948 707083135 /nfs/dbraw/zinc/08/31/35/707083135.db2.gz RTPBYVZELVVJRA-DLBZAZTESA-N 2 0 347.507 1.621 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999711487 707307108 /nfs/dbraw/zinc/30/71/08/707307108.db2.gz XNKSXJJBMFXYLH-UHFFFAOYSA-N 2 0 348.878 1.910 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279717 707347828 /nfs/dbraw/zinc/34/78/28/707347828.db2.gz WOGPIEXXGJISSS-SFANZJOMSA-N 2 0 347.503 1.573 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033274476 707352746 /nfs/dbraw/zinc/35/27/46/707352746.db2.gz YYDYSSNIJADKSH-QAPCUYQASA-N 2 0 342.443 1.907 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789383 707406562 /nfs/dbraw/zinc/40/65/62/707406562.db2.gz HAKWQRDTDBYXAB-SJLPKXTDSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999789375 707406605 /nfs/dbraw/zinc/40/66/05/707406605.db2.gz HAKWQRDTDBYXAB-AEFFLSMTSA-N 2 0 346.475 1.938 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033299186 707443265 /nfs/dbraw/zinc/44/32/65/707443265.db2.gz AIDPYTDPAZXYLZ-QGZVFWFLSA-N 2 0 328.416 1.665 20 0 EDADRP Cc1conc1C[N@H+]1C[C@@H]2CCN(C(=O)Cc3cnc[nH]3)CC[C@@H]2C1 ZINC000946801090 707456654 /nfs/dbraw/zinc/45/66/54/707456654.db2.gz YPMIEYPGSXRKCK-GASCZTMLSA-N 2 0 343.431 1.619 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(F)cc2F)C1 ZINC000999833567 707465443 /nfs/dbraw/zinc/46/54/43/707465443.db2.gz ZKCRONPTKBAMJU-IUDNXUCKSA-N 2 0 337.414 1.996 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)cc1 ZINC000999837172 707473696 /nfs/dbraw/zinc/47/36/96/707473696.db2.gz OMFYIZVCIHEWRB-KLAILNCOSA-N 2 0 331.460 1.726 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033320759 707517240 /nfs/dbraw/zinc/51/72/40/707517240.db2.gz WORIBOOYSYFWCT-SJORKVTESA-N 2 0 337.508 1.820 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999875873 707522030 /nfs/dbraw/zinc/52/20/30/707522030.db2.gz CKXZJFKLWOOVDK-PREGVCBESA-N 2 0 333.480 1.374 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001000108216 707700319 /nfs/dbraw/zinc/70/03/19/707700319.db2.gz YYOMRCGGIJTPHY-DLBZAZTESA-N 2 0 348.491 1.757 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)n1 ZINC001033416052 707793581 /nfs/dbraw/zinc/79/35/81/707793581.db2.gz MSBRJHONTPFKBZ-HOCLYGCPSA-N 2 0 349.479 1.328 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCc2ccns2)C1 ZINC001033418378 707802561 /nfs/dbraw/zinc/80/25/61/707802561.db2.gz BZMCGTFFMOWILD-CABCVRRESA-N 2 0 336.505 1.703 20 0 EDADRP C[C@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)COC1CC[NH+](C)CC1 ZINC001004985060 707834715 /nfs/dbraw/zinc/83/47/15/707834715.db2.gz QAFWPXAWQAIKHE-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nccnc1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989615 707849081 /nfs/dbraw/zinc/84/90/81/707849081.db2.gz GFTMAOOHFYDOIS-SJLPKXTDSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1ccc(F)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)c1 ZINC001032781416 707968718 /nfs/dbraw/zinc/96/87/18/707968718.db2.gz URCRMRUUZPDKRC-XIRDDKMYSA-N 2 0 331.435 1.871 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC=C(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001000701305 708060096 /nfs/dbraw/zinc/06/00/96/708060096.db2.gz FUYDSDZTVDQZPQ-RHSMWYFYSA-N 2 0 346.475 1.880 20 0 EDADRP COCc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001000920150 708076716 /nfs/dbraw/zinc/07/67/16/708076716.db2.gz SHDWBHYNTDGBKJ-RBUKOAKNSA-N 2 0 345.487 1.865 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921816905 708084691 /nfs/dbraw/zinc/08/46/91/708084691.db2.gz RCJBAWCCDHTQRA-UHFFFAOYSA-N 2 0 330.274 1.288 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921820507 708097671 /nfs/dbraw/zinc/09/76/71/708097671.db2.gz PQCIBGAGEDDNSD-UHFFFAOYSA-N 2 0 334.464 1.504 20 0 EDADRP Cc1nocc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001826447 708329145 /nfs/dbraw/zinc/32/91/45/708329145.db2.gz UIRSIBNBAWJCGW-DYVFJYSZSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001834036 708360668 /nfs/dbraw/zinc/36/06/68/708360668.db2.gz NUPPJSYNJIKSJY-KSSFIOAISA-N 2 0 347.507 1.254 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)ccc1C ZINC001033662207 708477275 /nfs/dbraw/zinc/47/72/75/708477275.db2.gz OWPHRPZOHLPBRK-ROUUACIJSA-N 2 0 345.487 1.988 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CC[C@H]3CCCCO3)CC2)C1 ZINC001002120169 708633680 /nfs/dbraw/zinc/63/36/80/708633680.db2.gz HEQMUJQCKPMRPE-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP COc1ncccc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001002121585 708635392 /nfs/dbraw/zinc/63/53/92/708635392.db2.gz RRCJFGXOYNOGAX-MRXNPFEDSA-N 2 0 346.475 1.370 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033826922 708826813 /nfs/dbraw/zinc/82/68/13/708826813.db2.gz XEFFNLALDPWNEF-ROUUACIJSA-N 2 0 347.507 1.679 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033835294 708862705 /nfs/dbraw/zinc/86/27/05/708862705.db2.gz XKUZIVPPXHIIJJ-BPQIPLTHSA-N 2 0 347.507 1.492 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001005395583 708876045 /nfs/dbraw/zinc/87/60/45/708876045.db2.gz ANYJTHDXJTUPDM-QGZVFWFLSA-N 2 0 346.475 1.748 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@@H+]([C@H](C)COC)C1 ZINC001033897561 709017071 /nfs/dbraw/zinc/01/70/71/709017071.db2.gz LLACGXVDVAHZPU-RHSMWYFYSA-N 2 0 330.432 1.906 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC001005478013 709104016 /nfs/dbraw/zinc/10/40/16/709104016.db2.gz SXRZOHAYICCMTG-CVEARBPZSA-N 2 0 338.496 1.048 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033939813 709145401 /nfs/dbraw/zinc/14/54/01/709145401.db2.gz CPNBZEIVDBVZLF-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001034013968 709228454 /nfs/dbraw/zinc/22/84/54/709228454.db2.gz SFKWAGFKFXPOBB-GOSISDBHSA-N 2 0 342.487 1.909 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001002792021 709399864 /nfs/dbraw/zinc/39/98/64/709399864.db2.gz MKWNZTDXEISNOD-GOSISDBHSA-N 2 0 347.507 1.416 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCC[N@H+](CC3CCC3)C2)n1 ZINC001034209162 709558777 /nfs/dbraw/zinc/55/87/77/709558777.db2.gz IOAOAUVQJMFOIM-KRWDZBQOSA-N 2 0 347.507 1.829 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034238866 709620806 /nfs/dbraw/zinc/62/08/06/709620806.db2.gz GHWDSXLAUGSBAL-IRXDYDNUSA-N 2 0 348.495 1.123 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001002994322 709741797 /nfs/dbraw/zinc/74/17/97/709741797.db2.gz GIXILWSNYBUHLW-IAGOWNOFSA-N 2 0 337.508 1.581 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC2CC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321056 709771081 /nfs/dbraw/zinc/77/10/81/709771081.db2.gz PZMXCAJJOGXCAW-ISXWCOSWSA-N 2 0 333.476 1.230 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001003007534 709776750 /nfs/dbraw/zinc/77/67/50/709776750.db2.gz JLNHZDQSMFOOCS-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3cccnc3)C2)CC1 ZINC001034384349 709911036 /nfs/dbraw/zinc/91/10/36/709911036.db2.gz DKTSTUVIFPJIAP-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1)C1CCC1 ZINC001003161131 710070374 /nfs/dbraw/zinc/07/03/74/710070374.db2.gz UZGYLBWWQLXXCO-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ncoc1C[NH+]1CCCC[C@H](NC(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC001034490821 710110008 /nfs/dbraw/zinc/11/00/08/710110008.db2.gz NZGXAKXOBMRFFV-CVEARBPZSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1ncccc1C[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034528114 710181516 /nfs/dbraw/zinc/18/15/16/710181516.db2.gz KHGYCWHTKYSJJZ-SFHVURJKSA-N 2 0 330.476 1.957 20 0 EDADRP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC001034612043 710286767 /nfs/dbraw/zinc/28/67/67/710286767.db2.gz OYOJUJFANGXNEI-ZOBUZTSGSA-N 2 0 348.495 1.470 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@@H]3CC(C)(C)CO3)C2)CC[N@@H+]1C ZINC001032840120 710289410 /nfs/dbraw/zinc/28/94/10/710289410.db2.gz UJOIGZCKDZDPFK-NXOAAHMSSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(N)=O ZINC001034643963 710319998 /nfs/dbraw/zinc/31/99/98/710319998.db2.gz GKCSVHJOAIRXOO-KKUMJFAQSA-N 2 0 338.496 1.142 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034647972 710324566 /nfs/dbraw/zinc/32/45/66/710324566.db2.gz CIQSRAVDBOFORK-DKIMLUQUSA-N 2 0 335.492 1.382 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648252 710324912 /nfs/dbraw/zinc/32/49/12/710324912.db2.gz GMVSQEPHEXFZAA-DZKIICNBSA-N 2 0 349.504 1.397 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648573 710325371 /nfs/dbraw/zinc/32/53/71/710325371.db2.gz MBKHOEBNVWZICK-VJANTYMQSA-N 2 0 349.519 1.914 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001003840848 710651810 /nfs/dbraw/zinc/65/18/10/710651810.db2.gz HAAKHRGSBNUJCE-WMZOPIPTSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@@H]1COCCN1C1CCCC1 ZINC001034713071 710842834 /nfs/dbraw/zinc/84/28/34/710842834.db2.gz MPOGULWIZAUPSD-ZOBUZTSGSA-N 2 0 341.471 1.616 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001034724699 710896266 /nfs/dbraw/zinc/89/62/66/710896266.db2.gz RRMRKLHMHPPPMW-QAQDUYKDSA-N 2 0 333.480 1.279 20 0 EDADRP CC[C@H](C(N)=O)[NH+]1CCC(N(C)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC001005665431 710900599 /nfs/dbraw/zinc/90/05/99/710900599.db2.gz WJMNOFZOGSPPGV-MRXNPFEDSA-N 2 0 343.431 1.135 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nncs2)CC1 ZINC001034734840 710913854 /nfs/dbraw/zinc/91/38/54/710913854.db2.gz AIABRIQEKFZTJY-MGPQQGTHSA-N 2 0 337.493 1.539 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001034734280 710915287 /nfs/dbraw/zinc/91/52/87/710915287.db2.gz LZYNHAQBKYUEGD-BZUAXINKSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734613 710916945 /nfs/dbraw/zinc/91/69/45/710916945.db2.gz RZGNWCUMGAXLOH-FVQBIDKESA-N 2 0 334.464 1.842 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)o1 ZINC001034734612 710917125 /nfs/dbraw/zinc/91/71/25/710917125.db2.gz RZGNWCUMGAXLOH-BPUTZDHNSA-N 2 0 334.464 1.842 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)ncn1 ZINC001034734712 710917389 /nfs/dbraw/zinc/91/73/89/710917389.db2.gz WAMLYHQXYNPCSZ-XIRDDKMYSA-N 2 0 345.491 1.644 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034735564 710920822 /nfs/dbraw/zinc/92/08/22/710920822.db2.gz IPSBDDNJPHCUHW-BZUAXINKSA-N 2 0 333.480 1.421 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034739251 710933507 /nfs/dbraw/zinc/93/35/07/710933507.db2.gz ZQWBTABEZWRJIW-NBOOPKSLSA-N 2 0 347.507 1.177 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034739207 710933519 /nfs/dbraw/zinc/93/35/19/710933519.db2.gz ZEGSYKMPVTYUIG-ANQUJSFKSA-N 2 0 348.495 1.013 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cs1 ZINC001032958449 710951101 /nfs/dbraw/zinc/95/11/01/710951101.db2.gz AFPPKFKYRSGFLX-JKSUJKDBSA-N 2 0 336.505 1.621 20 0 EDADRP Cn1cncc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccns2)CC1 ZINC001034777829 711057074 /nfs/dbraw/zinc/05/70/74/711057074.db2.gz KYYRHYOCOBFTRZ-HDJSIYSDSA-N 2 0 347.488 1.679 20 0 EDADRP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001034791798 711117047 /nfs/dbraw/zinc/11/70/47/711117047.db2.gz RUSWSZJTIWKZOL-JYJNAYRXSA-N 2 0 348.495 1.328 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034792681 711120038 /nfs/dbraw/zinc/12/00/38/711120038.db2.gz KQEYMWGYDNLTBH-WKILWMFISA-N 2 0 330.436 1.105 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)Cc2cncn2C)CC1)C1CCCC1 ZINC001003973026 711127848 /nfs/dbraw/zinc/12/78/48/711127848.db2.gz DIMIRVUGOYEVOJ-GOSISDBHSA-N 2 0 348.491 1.748 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001003974018 711131188 /nfs/dbraw/zinc/13/11/88/711131188.db2.gz HYGATZCQKYAEPE-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC001034823626 711225277 /nfs/dbraw/zinc/22/52/77/711225277.db2.gz XGRPMCKNKPPNMV-SFHVURJKSA-N 2 0 333.476 1.910 20 0 EDADRP Cn1cncc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001034831886 711238060 /nfs/dbraw/zinc/23/80/60/711238060.db2.gz YLECBZBNBDVGFK-KRWDZBQOSA-N 2 0 341.459 1.278 20 0 EDADRP CCc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939453 711441562 /nfs/dbraw/zinc/44/15/62/711441562.db2.gz AWKXHSDVAYHQTR-FVQBIDKESA-N 2 0 334.464 1.658 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc(N(C)C)nc1)C2 ZINC000922385674 711445313 /nfs/dbraw/zinc/44/53/13/711445313.db2.gz BWBBAFAAURESOF-CBZIJGRNSA-N 2 0 333.480 1.112 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC[C@@H]2C1 ZINC000946633180 712054489 /nfs/dbraw/zinc/05/44/89/712054489.db2.gz LSJSNYHZYPGXKV-FJIDUMEYSA-N 2 0 339.524 1.778 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000267820613 282114423 /nfs/dbraw/zinc/11/44/23/282114423.db2.gz RAKDJTWPAUCDLH-KRWDZBQOSA-N 2 0 346.475 1.282 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)CC1(CO)CC1 ZINC000186803049 529834959 /nfs/dbraw/zinc/83/49/59/529834959.db2.gz GIKPHGPCYKNSND-UHFFFAOYSA-N 2 0 345.487 1.603 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000168964476 529979904 /nfs/dbraw/zinc/97/99/04/529979904.db2.gz HRDPDXIEBHFOFQ-CVEARBPZSA-N 2 0 333.476 1.858 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1)[C@@H]1CCSC1 ZINC000345010961 282348569 /nfs/dbraw/zinc/34/85/69/282348569.db2.gz GNYSBWVHDDUEDW-HZPDHXFCSA-N 2 0 325.522 1.614 20 0 EDADRP O=C(NC[C@]1(O)C[NH+]2CCC1CC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000560506588 306272510 /nfs/dbraw/zinc/27/25/10/306272510.db2.gz IWMUDYSGAFJNBJ-FQEVSTJZSA-N 2 0 343.471 1.469 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000560756906 306278775 /nfs/dbraw/zinc/27/87/75/306278775.db2.gz MVBDLJBIFZQWJV-OAGGEKHMSA-N 2 0 327.513 1.167 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1ccc(Cl)cc1 ZINC000649346350 452028581 /nfs/dbraw/zinc/02/85/81/452028581.db2.gz AADLJTXUZFIXCD-UKRRQHHQSA-N 2 0 325.840 1.295 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC1CC[NH2+]CC1 ZINC000560964136 306281447 /nfs/dbraw/zinc/28/14/47/306281447.db2.gz NLSNQFKBSKCWOY-UHFFFAOYSA-N 2 0 345.491 1.868 20 0 EDADRP C[C@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000561151723 306282869 /nfs/dbraw/zinc/28/28/69/306282869.db2.gz QQYRUDMLVGQNJL-HZPDHXFCSA-N 2 0 330.476 1.732 20 0 EDADRP COCC[NH+]1CCC(NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000343929812 539800450 /nfs/dbraw/zinc/80/04/50/539800450.db2.gz LRRXXBIPKMZXGE-UHFFFAOYSA-N 2 0 336.480 1.222 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](c2ccccc2)C2(CO)CCC2)CC1 ZINC000562428024 306298303 /nfs/dbraw/zinc/29/83/03/306298303.db2.gz PTTMODPKYUGDOI-RTBURBONSA-N 2 0 347.503 1.088 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[C@H](OC)C[NH+]2C)CC1 ZINC000345109465 539824826 /nfs/dbraw/zinc/82/48/26/539824826.db2.gz YVYVPSAHVBIOGE-IRXDYDNUSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCCC[NH2+]1 ZINC000181011066 234060450 /nfs/dbraw/zinc/06/04/50/234060450.db2.gz DFFBQACZXCLSLE-FQEVSTJZSA-N 2 0 345.487 1.792 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000155555904 539923690 /nfs/dbraw/zinc/92/36/90/539923690.db2.gz FCWJAMHHOXJPSM-HZPDHXFCSA-N 2 0 343.479 1.339 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000562839199 306310983 /nfs/dbraw/zinc/31/09/83/306310983.db2.gz FFLUEVPQHUHTGK-RBUKOAKNSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@]1(C(N)=O)CCCCN1C/C=C\C[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000588445376 539990484 /nfs/dbraw/zinc/99/04/84/539990484.db2.gz VZDJYDBEBXQPOU-BTFXCVNISA-N 2 0 336.480 1.002 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949521 306313399 /nfs/dbraw/zinc/31/33/99/306313399.db2.gz HRWJPDSZTWMGGU-HKUYNNGSSA-N 2 0 331.460 1.176 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccc3c(c1)OCCO3)CC[NH2+]CC2 ZINC000562968934 306314084 /nfs/dbraw/zinc/31/40/84/306314084.db2.gz CAUNHRQQTKVMNM-CQSZACIVSA-N 2 0 345.443 1.860 20 0 EDADRP CCOc1cc(C[N@H+](C)CCC[NH3+])ccc1O[C@@H](C)C(=O)N(C)C ZINC000563130474 306319507 /nfs/dbraw/zinc/31/95/07/306319507.db2.gz YUUXLWKVYZLXOY-AWEZNQCLSA-N 2 0 337.464 1.721 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000348586145 283086080 /nfs/dbraw/zinc/08/60/80/283086080.db2.gz DTFVBXYTKCBVMS-BZSNNMDCSA-N 2 0 335.492 1.715 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCOCC1 ZINC000074001164 138222732 /nfs/dbraw/zinc/22/27/32/138222732.db2.gz SYOCLWYVCXTMJZ-UHFFFAOYSA-N 2 0 340.512 1.706 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000563580474 306339601 /nfs/dbraw/zinc/33/96/01/306339601.db2.gz IXNNISIBRMANSK-HYVNUMGLSA-N 2 0 332.448 1.191 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000563670595 306344486 /nfs/dbraw/zinc/34/44/86/306344486.db2.gz OFIITKJCDXRJBR-ZWKOTPCHSA-N 2 0 349.450 1.660 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)[C@@H](C)[NH3+] ZINC000563881181 306351410 /nfs/dbraw/zinc/35/14/10/306351410.db2.gz LIGRSZMJYVBOBI-CRAIPNDOSA-N 2 0 348.491 1.529 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000563945434 306352951 /nfs/dbraw/zinc/35/29/51/306352951.db2.gz KXFBEWRWDIEKJH-HCXYKTFWSA-N 2 0 344.503 1.847 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000564081583 306355312 /nfs/dbraw/zinc/35/53/12/306355312.db2.gz CNFWIQCGTUNZFI-ADKAHSJRSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2c(Cl)cccc2Cl)CC1 ZINC000564712801 306363128 /nfs/dbraw/zinc/36/31/28/306363128.db2.gz FSQSYSPRSYBGIL-CYBMUJFWSA-N 2 0 346.302 1.734 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C[C@H]1c1cccc(F)c1 ZINC000564953102 306371209 /nfs/dbraw/zinc/37/12/09/306371209.db2.gz SHMBSJDAYLHQOZ-VHDGCEQUSA-N 2 0 343.406 1.193 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000565294818 306380876 /nfs/dbraw/zinc/38/08/76/306380876.db2.gz UZZUWSFNZHTYQD-CABCVRRESA-N 2 0 338.496 1.162 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000565587657 306387235 /nfs/dbraw/zinc/38/72/35/306387235.db2.gz GQRJGNGDGSHEHE-QGZVFWFLSA-N 2 0 334.464 1.822 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414698413 304129503 /nfs/dbraw/zinc/12/95/03/304129503.db2.gz QTHNUSFVEBRZDS-ZACQAIPSSA-N 2 0 336.524 1.439 20 0 EDADRP CC(C)[C@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703714 304130395 /nfs/dbraw/zinc/13/03/95/304130395.db2.gz MROMHLKLKKUAGS-OALUTQOASA-N 2 0 347.503 1.703 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H]([NH3+])[C@H]2C)CC1 ZINC000414743703 304135922 /nfs/dbraw/zinc/13/59/22/304135922.db2.gz VYFLTOYZEDPJKP-HUUCEWRRSA-N 2 0 331.464 1.782 20 0 EDADRP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414750098 304137239 /nfs/dbraw/zinc/13/72/39/304137239.db2.gz ZIVOCFIGXYTDME-ZWKOTPCHSA-N 2 0 344.503 1.785 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414794868 304141315 /nfs/dbraw/zinc/14/13/15/304141315.db2.gz GAAJLJQGYYCCQQ-AWEZNQCLSA-N 2 0 332.448 1.588 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000415104133 304160551 /nfs/dbraw/zinc/16/05/51/304160551.db2.gz DPOIRRZDCHETMM-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415118130 304161422 /nfs/dbraw/zinc/16/14/22/304161422.db2.gz DRMZKIBYGSBYAU-MRXNPFEDSA-N 2 0 329.404 1.361 20 0 EDADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cn1 ZINC000415132781 304162766 /nfs/dbraw/zinc/16/27/66/304162766.db2.gz UMILSUCLXXXLQU-KRWDZBQOSA-N 2 0 343.479 1.814 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000415139046 304163556 /nfs/dbraw/zinc/16/35/56/304163556.db2.gz HSKAIYYJPPGRHE-CZUORRHYSA-N 2 0 330.432 1.040 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CN1CCN(c2ccccn2)CC1 ZINC000236738377 139029984 /nfs/dbraw/zinc/02/99/84/139029984.db2.gz LQOKVUODPYVRRH-INIZCTEOSA-N 2 0 333.480 1.035 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000236704552 139029217 /nfs/dbraw/zinc/02/92/17/139029217.db2.gz BLQZYQOUGYSUOJ-HLLBOEOZSA-N 2 0 325.497 1.852 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236707883 139029310 /nfs/dbraw/zinc/02/93/10/139029310.db2.gz MTFONFCXJMJDMR-SFHVURJKSA-N 2 0 332.492 1.424 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1 ZINC000236802498 139031981 /nfs/dbraw/zinc/03/19/81/139031981.db2.gz KOIRFSVZLRIJCX-HZPDHXFCSA-N 2 0 333.480 1.226 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2([NH3+])CC2)cc1OC ZINC000236881634 139034118 /nfs/dbraw/zinc/03/41/18/139034118.db2.gz KTPBWLXJFYYYDL-UHFFFAOYSA-N 2 0 335.448 1.523 20 0 EDADRP C[NH2+]CCCC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237160880 139042609 /nfs/dbraw/zinc/04/26/09/139042609.db2.gz GFMMCQBATJOLGE-UHFFFAOYSA-N 2 0 332.492 1.705 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H](C[NH3+])c2ccccc2)c1 ZINC000237201990 139043826 /nfs/dbraw/zinc/04/38/26/139043826.db2.gz OOFVUJWXOMELSL-IBGZPJMESA-N 2 0 341.455 1.986 20 0 EDADRP COCC[NH2+]CC(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000237204548 139044053 /nfs/dbraw/zinc/04/40/53/139044053.db2.gz CTYOYSDOTHZDLF-UHFFFAOYSA-N 2 0 333.476 1.915 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CC3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237399049 139050035 /nfs/dbraw/zinc/05/00/35/139050035.db2.gz ZZIMEWQCEXFNAT-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)cc1 ZINC000415191279 304173188 /nfs/dbraw/zinc/17/31/88/304173188.db2.gz GNFGSQQKEIJIOU-XJKSGUPXSA-N 2 0 346.475 1.881 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000237517785 139053129 /nfs/dbraw/zinc/05/31/29/139053129.db2.gz LPRNUTJENHUMQB-OIISXLGYSA-N 2 0 348.516 1.503 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000415193635 304173572 /nfs/dbraw/zinc/17/35/72/304173572.db2.gz MJQQEOFCAMMIBB-SUMWQHHRSA-N 2 0 344.459 1.778 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)[C@@H](C)C[NH2+]1 ZINC000237541800 139053523 /nfs/dbraw/zinc/05/35/23/139053523.db2.gz CKMMTPCJWCGUHA-HOTGVXAUSA-N 2 0 330.476 1.256 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC3CCC([NH3+])CC3)CC2)c1 ZINC000237718849 139058605 /nfs/dbraw/zinc/05/86/05/139058605.db2.gz GINPSUXOVSGAHX-UHFFFAOYSA-N 2 0 344.503 1.893 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC1CC[NH+](C)CC1 ZINC000111855385 220209181 /nfs/dbraw/zinc/20/91/81/220209181.db2.gz LYQAGSXXYNTTKI-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000238096690 139069024 /nfs/dbraw/zinc/06/90/24/139069024.db2.gz IKSVVPKXQXCWFA-ZWKOTPCHSA-N 2 0 331.460 1.402 20 0 EDADRP C([NH2+][C@@H]1CCCC[C@@H]1[C@H]1CCOC1)c1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000567674236 306458250 /nfs/dbraw/zinc/45/82/50/306458250.db2.gz FFNPRVCSTWLIAY-ARFHVFGLSA-N 2 0 333.480 1.957 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000246276369 139102046 /nfs/dbraw/zinc/10/20/46/139102046.db2.gz BCSPSZGTXWDMBW-VXIBKDFQSA-N 2 0 345.487 1.985 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1CCOc1ccccc1 ZINC000246519420 139111822 /nfs/dbraw/zinc/11/18/22/139111822.db2.gz UNRCLGMPXHQHHI-SQNIBIBYSA-N 2 0 343.471 1.883 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000246794281 139121734 /nfs/dbraw/zinc/12/17/34/139121734.db2.gz QEMCNOAVPAYSDC-VVLHAWIVSA-N 2 0 337.508 1.865 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000415353323 304201572 /nfs/dbraw/zinc/20/15/72/304201572.db2.gz CPKGYAWHSRNBMV-DOTOQJQBSA-N 2 0 344.459 1.384 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)CCCCC1 ZINC000568371219 306479855 /nfs/dbraw/zinc/47/98/55/306479855.db2.gz OOJZAULIMBZRKK-UHFFFAOYSA-N 2 0 331.464 1.729 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000247293574 139143815 /nfs/dbraw/zinc/14/38/15/139143815.db2.gz UGSRCLUPHMNLCF-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)N(C)C[C@H](O)C[NH3+])c2)CC1 ZINC000415383768 304210192 /nfs/dbraw/zinc/21/01/92/304210192.db2.gz CCRRIFIWNZHVIK-GOSISDBHSA-N 2 0 348.491 1.744 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1nccn1Cc1ccccc1 ZINC000568681945 306486995 /nfs/dbraw/zinc/48/69/95/306486995.db2.gz GGCNBACBFQTQJL-UHFFFAOYSA-N 2 0 329.492 1.857 20 0 EDADRP C[N@@H+](CCC(=O)NC(N)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821016 218172016 /nfs/dbraw/zinc/17/20/16/218172016.db2.gz PTPMORMLCGQCFD-UHFFFAOYSA-N 2 0 333.436 1.205 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989356 139182529 /nfs/dbraw/zinc/18/25/29/139182529.db2.gz MYYLONNYAFOKOH-BKVYNOPKSA-N 2 0 339.524 1.576 20 0 EDADRP Cc1ccc2cc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)ccc2n1 ZINC000261661852 139215415 /nfs/dbraw/zinc/21/54/15/139215415.db2.gz KSBFVJQTKGCZJP-QGZVFWFLSA-N 2 0 326.444 1.830 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CCOCC1 ZINC000261720558 139220304 /nfs/dbraw/zinc/22/03/04/139220304.db2.gz JGPJOBOEOGAJCT-LJQANCHMSA-N 2 0 345.487 1.564 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN(CC[NH3+])CCc2ccccc2)CC1 ZINC000261854824 139231599 /nfs/dbraw/zinc/23/15/99/139231599.db2.gz YMPFEVBCHQMDBT-UHFFFAOYSA-N 2 0 346.519 1.479 20 0 EDADRP C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@H](C[NH3+])C1 ZINC000261872346 139233017 /nfs/dbraw/zinc/23/30/17/139233017.db2.gz SMSNKDWKDLNEDY-HKUYNNGSSA-N 2 0 344.503 1.785 20 0 EDADRP C(N[C@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875881 139233193 /nfs/dbraw/zinc/23/31/93/139233193.db2.gz DRLNEBSAPFEUED-FGTMMUONSA-N 3 0 337.508 1.378 20 0 EDADRP CCc1nc(CN(C(C)=O)[C@H]2CCN(C[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000261930651 139238043 /nfs/dbraw/zinc/23/80/43/139238043.db2.gz LNLFMJSOEWCMIZ-CABCVRRESA-N 2 0 335.452 1.054 20 0 EDADRP C[NH2+]CCC1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000262007210 139243541 /nfs/dbraw/zinc/24/35/41/139243541.db2.gz RWUCEERAAKZUMC-UHFFFAOYSA-N 2 0 332.448 1.436 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@H]3C[NH3+])ccc21 ZINC000415443286 250942733 /nfs/dbraw/zinc/94/27/33/250942733.db2.gz HKSVXWMFYRPQAS-IAOVAPTHSA-N 2 0 344.459 1.418 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc(-n2ccnc2)nc1 ZINC000262138484 139254259 /nfs/dbraw/zinc/25/42/59/139254259.db2.gz DTVGMRAWKQOVKV-SIIHOXLZSA-N 2 0 341.415 1.738 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000415949611 251039131 /nfs/dbraw/zinc/03/91/31/251039131.db2.gz ZVEKFHQCNXALSD-MSOLQXFVSA-N 2 0 346.475 1.905 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1cccs1 ZINC000415995432 251044017 /nfs/dbraw/zinc/04/40/17/251044017.db2.gz MZUJALGVDBBWAW-ONGXEEELSA-N 2 0 338.399 1.930 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccsc1 ZINC000417006400 251128687 /nfs/dbraw/zinc/12/86/87/251128687.db2.gz FPMNZRLXWNHPOT-NEPJUHHUSA-N 2 0 332.420 1.647 20 0 EDADRP CC[C@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417008346 251128953 /nfs/dbraw/zinc/12/89/53/251128953.db2.gz IMINDCBLCQHOOR-QZTJIDSGSA-N 2 0 346.475 1.192 20 0 EDADRP [NH3+][C@H]1CCC[C@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417012309 251130686 /nfs/dbraw/zinc/13/06/86/251130686.db2.gz WWZHQRDUGZFRSQ-YJBOKZPZSA-N 2 0 330.476 1.861 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1C[NH2+]CCCO1 ZINC000417015262 251132390 /nfs/dbraw/zinc/13/23/90/251132390.db2.gz FHPQRHLWZCLGIA-GOSISDBHSA-N 2 0 346.475 1.113 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417019385 251134659 /nfs/dbraw/zinc/13/46/59/251134659.db2.gz ISGKSCKATXQRGU-AEFFLSMTSA-N 2 0 330.476 1.861 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417019386 251134893 /nfs/dbraw/zinc/13/48/93/251134893.db2.gz ISGKSCKATXQRGU-FUHWJXTLSA-N 2 0 330.476 1.861 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)NC[C@@H]([NH3+])C(C)C)cn2)CC1 ZINC000416995704 251123244 /nfs/dbraw/zinc/12/32/44/251123244.db2.gz TVJYHJARHNTHLX-MRXNPFEDSA-N 2 0 348.495 1.006 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262325737 139270475 /nfs/dbraw/zinc/27/04/75/139270475.db2.gz DLQDPECTABCMQI-OHQAAIJDSA-N 2 0 345.487 1.504 20 0 EDADRP C[C@@H]1C[N@H+](CC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@H](C)O1 ZINC000262344014 139271870 /nfs/dbraw/zinc/27/18/70/139271870.db2.gz HKNRRKWGIUSNKO-CUSZFKRNSA-N 2 0 337.508 1.722 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417434683 251172451 /nfs/dbraw/zinc/17/24/51/251172451.db2.gz ACVUEPKVAFWGQF-GDBMZVCRSA-N 2 0 326.485 1.399 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417443077 251176000 /nfs/dbraw/zinc/17/60/00/251176000.db2.gz XAFJGUMDIBJGBF-QGZVFWFLSA-N 2 0 334.464 1.487 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417657490 251215920 /nfs/dbraw/zinc/21/59/20/251215920.db2.gz WDUNDOZOFYXGPH-FGTMMUONSA-N 2 0 328.460 1.512 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417633380 251210468 /nfs/dbraw/zinc/21/04/68/251210468.db2.gz YBFDUOQQLSNLHL-CQSZACIVSA-N 2 0 328.526 1.727 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)C(C)(C)C ZINC000417681743 251226716 /nfs/dbraw/zinc/22/67/16/251226716.db2.gz QOCCMOFAZKRVCD-HOTGVXAUSA-N 2 0 339.528 1.042 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000417751091 251253958 /nfs/dbraw/zinc/25/39/58/251253958.db2.gz LBFXOAZZESKFHB-CVEARBPZSA-N 2 0 327.517 1.077 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000417753048 251255588 /nfs/dbraw/zinc/25/55/88/251255588.db2.gz NVIGWSJWKRWQIB-HZPDHXFCSA-N 2 0 347.507 1.389 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000417827740 251287222 /nfs/dbraw/zinc/28/72/22/251287222.db2.gz FZVMJGWNROHAGT-GOSISDBHSA-N 3 0 332.492 1.568 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262466226 139280858 /nfs/dbraw/zinc/28/08/58/139280858.db2.gz XUUSLOZVTZMYGY-JKSUJKDBSA-N 2 0 349.500 1.597 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@@H](C)[NH3+])CC1 ZINC000417806368 251277225 /nfs/dbraw/zinc/27/72/25/251277225.db2.gz IMQDXEFMHVYMLZ-NVXWUHKLSA-N 2 0 340.512 1.787 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417816057 251281535 /nfs/dbraw/zinc/28/15/35/251281535.db2.gz BZKYFBJIIMECEF-JFIYKMOQSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000417880111 251311120 /nfs/dbraw/zinc/31/11/20/251311120.db2.gz SLOKPBBSLZPRFX-HPBDAGMYSA-N 2 0 328.460 1.653 20 0 EDADRP CC[N@H+](CCNC(=O)NCC[C@@H]1CCC[NH2+]C1)CCC(F)(F)F ZINC000418079760 251321400 /nfs/dbraw/zinc/32/14/00/251321400.db2.gz RFJRJCYIULPVLF-ZDUSSCGKSA-N 2 0 338.418 1.950 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC[NH2+]CC1 ZINC000418105837 251322325 /nfs/dbraw/zinc/32/23/25/251322325.db2.gz MDEUWBCUIORHHW-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000262516696 139283754 /nfs/dbraw/zinc/28/37/54/139283754.db2.gz GNRWCJARXLAPIL-SJORKVTESA-N 2 0 332.492 1.688 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418193648 251353198 /nfs/dbraw/zinc/35/31/98/251353198.db2.gz CLXGYRBUTIBBTA-UAGQMJEPSA-N 2 0 340.512 1.643 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418201839 251355717 /nfs/dbraw/zinc/35/57/17/251355717.db2.gz HXRACEADTRWSGI-RBOXIYTFSA-N 2 0 340.418 1.660 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)[C@H]1CCC[NH2+]C1 ZINC000418306271 251358639 /nfs/dbraw/zinc/35/86/39/251358639.db2.gz AHQCXIKEDQYPPA-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000418318510 251360075 /nfs/dbraw/zinc/36/00/75/251360075.db2.gz NQQDJWKYKZKZDV-KRWDZBQOSA-N 2 0 348.491 1.768 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000418347462 251361618 /nfs/dbraw/zinc/36/16/18/251361618.db2.gz VRCSTBNKZGIESZ-MRXNPFEDSA-N 2 0 348.491 1.768 20 0 EDADRP C[C@@H](NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)[C@H](C)[NH3+] ZINC000418713799 251393157 /nfs/dbraw/zinc/39/31/57/251393157.db2.gz YFNWTNUJJRXLLG-DLBZAZTESA-N 2 0 347.507 1.181 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418718808 251395724 /nfs/dbraw/zinc/39/57/24/251395724.db2.gz UHWBNWVFZKSYNK-CQSZACIVSA-N 2 0 346.397 1.881 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000418680167 251383785 /nfs/dbraw/zinc/38/37/85/251383785.db2.gz FQUUNRLIMJZUDZ-BRWVUGGUSA-N 2 0 340.512 1.504 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000262632140 139291584 /nfs/dbraw/zinc/29/15/84/139291584.db2.gz FPXFSJWYNBTOKD-INIZCTEOSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@H](CC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000262674221 139295496 /nfs/dbraw/zinc/29/54/96/139295496.db2.gz QNCNNNIRGADOPO-SJLPKXTDSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1cc(F)ccc1N1CCC[C@@H]([NH+]2CCC(O)(C[NH3+])CC2)C1=O ZINC000420407664 251706564 /nfs/dbraw/zinc/70/65/64/251706564.db2.gz UWEBUKOTNMEDAQ-MRXNPFEDSA-N 2 0 335.423 1.415 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H]1C ZINC000262778012 139302878 /nfs/dbraw/zinc/30/28/78/139302878.db2.gz LBPQBSGYXKIIAN-CVEARBPZSA-N 2 0 330.476 1.256 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422881874 252009648 /nfs/dbraw/zinc/00/96/48/252009648.db2.gz RCLGMCCXLTYNSG-VQIMIIECSA-N 2 0 344.503 1.833 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCS(=O)(=O)c1ccccc1 ZINC000422903418 252016840 /nfs/dbraw/zinc/01/68/40/252016840.db2.gz ONPRWOQEPZSPSD-ZDUSSCGKSA-N 2 0 333.457 1.973 20 0 EDADRP CN(CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423094571 252036442 /nfs/dbraw/zinc/03/64/42/252036442.db2.gz KKMBGBZOTQKVSF-SWLSCSKDSA-N 2 0 329.441 1.163 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423357086 252052098 /nfs/dbraw/zinc/05/20/98/252052098.db2.gz LLJYYXPZMZJLRM-QUCCMNQESA-N 2 0 345.487 1.874 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)c1 ZINC000423485648 252055064 /nfs/dbraw/zinc/05/50/64/252055064.db2.gz TZRWJISEUKATDF-AAEUAGOBSA-N 2 0 347.431 1.490 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CCC2 ZINC000423481769 252055429 /nfs/dbraw/zinc/05/54/29/252055429.db2.gz ONJVEYPHVFXQML-YOEHRIQHSA-N 2 0 337.489 1.833 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(CC[NH2+]C)CC1 ZINC000423512165 252058051 /nfs/dbraw/zinc/05/80/51/252058051.db2.gz OFOMKLVBHVMUQI-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423736455 252067585 /nfs/dbraw/zinc/06/75/85/252067585.db2.gz BSWKFFZUJNUNKW-ZBFHGGJFSA-N 2 0 341.402 1.361 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422904303 252018674 /nfs/dbraw/zinc/01/86/74/252018674.db2.gz GSOBWWSSWNYIFS-JWTNVVGKSA-N 2 0 330.476 1.351 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]1NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422906701 252018735 /nfs/dbraw/zinc/01/87/35/252018735.db2.gz AGEWJFFOYCLQSZ-ROUUACIJSA-N 2 0 330.476 1.482 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH2+]2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423840050 252087236 /nfs/dbraw/zinc/08/72/36/252087236.db2.gz YNBIHWREIQDVRH-DFBGVHRSSA-N 2 0 325.815 1.950 20 0 EDADRP C[C@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCOC1 ZINC000424023363 252117087 /nfs/dbraw/zinc/11/70/87/252117087.db2.gz VNBICPJPGWKFDT-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423793639 252078057 /nfs/dbraw/zinc/07/80/57/252078057.db2.gz IWJBAWFOQBUGEX-RYQLBKOJSA-N 2 0 330.476 1.750 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423795940 252079955 /nfs/dbraw/zinc/07/99/55/252079955.db2.gz KYZNPJWSXXPWDW-HKUYNNGSSA-N 2 0 330.476 1.752 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000423799902 252081033 /nfs/dbraw/zinc/08/10/33/252081033.db2.gz QVEZFKLQVVYAEO-HKUYNNGSSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000423799938 252081472 /nfs/dbraw/zinc/08/14/72/252081472.db2.gz KYJBVRSIPNKNRE-HUUCEWRRSA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423804114 252083554 /nfs/dbraw/zinc/08/35/54/252083554.db2.gz XNBFEXGHXURVLK-ZWKOTPCHSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@H]1COCCN1CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424142067 252142277 /nfs/dbraw/zinc/14/22/77/252142277.db2.gz DAMOERTZHKEQAK-DOTOQJQBSA-N 2 0 325.497 1.901 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262917166 139312625 /nfs/dbraw/zinc/31/26/25/139312625.db2.gz ZBFSCCYRPSHSCN-DZGCQCFKSA-N 2 0 332.448 1.450 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c1 ZINC000424169145 252150807 /nfs/dbraw/zinc/15/08/07/252150807.db2.gz JIGVXKHHRQNAIW-INIZCTEOSA-N 2 0 342.447 1.825 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132965 252136306 /nfs/dbraw/zinc/13/63/06/252136306.db2.gz LNGQWROAQDFFHA-IMJJTQAJSA-N 2 0 331.464 1.244 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000415606207 304237707 /nfs/dbraw/zinc/23/77/07/304237707.db2.gz RAVLJMQYCBDZRJ-IBGZPJMESA-N 2 0 344.459 1.207 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000424415109 252219702 /nfs/dbraw/zinc/21/97/02/252219702.db2.gz ITLAMYBBNPTXAG-NSHDSACASA-N 2 0 340.390 1.018 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[N@H+]2CC=C(C)CC2)c1 ZINC000424469567 252241818 /nfs/dbraw/zinc/24/18/18/252241818.db2.gz QJPNWFOZVBFJNI-UHFFFAOYSA-N 2 0 330.432 1.160 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000262974597 139316224 /nfs/dbraw/zinc/31/62/24/139316224.db2.gz XYPFGJBIORIQJW-GOSISDBHSA-N 2 0 349.475 1.387 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000424446841 252234519 /nfs/dbraw/zinc/23/45/19/252234519.db2.gz JUCQURZAPGGMBO-MQVJKMGUSA-N 2 0 330.432 1.134 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000458377718 285032937 /nfs/dbraw/zinc/03/29/37/285032937.db2.gz WJFIAUHIRLDLSI-JKSUJKDBSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000471642756 255015104 /nfs/dbraw/zinc/01/51/04/255015104.db2.gz DOQDYIULIHXETQ-SFHVURJKSA-N 2 0 348.491 1.701 20 0 EDADRP CN1CCN(C(=O)/C=C/c2ccc(Br)cc2)[C@H](C[NH3+])C1 ZINC000493558057 255215567 /nfs/dbraw/zinc/21/55/67/255215567.db2.gz QJJZLWFPOOVKHT-BTKRWWFXSA-N 2 0 338.249 1.564 20 0 EDADRP C[C@H](C[C@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494472704 255252040 /nfs/dbraw/zinc/25/20/40/255252040.db2.gz STZAYPUCDFUTSY-XHSDSOJGSA-N 2 0 342.528 1.904 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495185500 255271558 /nfs/dbraw/zinc/27/15/58/255271558.db2.gz UBFXVZYYCZEOAI-HUUCEWRRSA-N 2 0 336.480 1.118 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)c1 ZINC000118103212 221117757 /nfs/dbraw/zinc/11/77/57/221117757.db2.gz VLYCBHSQNPUSBU-MRXNPFEDSA-N 2 0 332.448 1.143 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000119611480 221359822 /nfs/dbraw/zinc/35/98/22/221359822.db2.gz XNLKTHWHXJVIRO-MRXNPFEDSA-N 2 0 340.489 1.684 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)C[C@@H]1[NH3+] ZINC000415835965 304279456 /nfs/dbraw/zinc/27/94/56/304279456.db2.gz WTBCZXQURHMTQS-DYVFJYSZSA-N 2 0 344.459 1.067 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)COc2ccccc2)CC1 ZINC000264309098 139395883 /nfs/dbraw/zinc/39/58/83/139395883.db2.gz ZLUUCFBWDZDXNO-SJLPKXTDSA-N 2 0 336.476 1.451 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+](C)C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000266841719 139563493 /nfs/dbraw/zinc/56/34/93/139563493.db2.gz GXVFPNGQYVLNKI-CQSZACIVSA-N 2 0 327.494 1.929 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416239122 304299496 /nfs/dbraw/zinc/29/94/96/304299496.db2.gz JYIVGVINQAISKV-NXHRZFHOSA-N 2 0 333.476 1.593 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1cccc(F)c1 ZINC000272043356 140391831 /nfs/dbraw/zinc/39/18/31/140391831.db2.gz DUIVBQSJWSEAQX-QGZVFWFLSA-N 2 0 334.439 1.990 20 0 EDADRP Cc1ccncc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000331343659 141009493 /nfs/dbraw/zinc/00/94/93/141009493.db2.gz UJVCSYHNSWWXEK-UHFFFAOYSA-N 2 0 340.493 1.037 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000333136165 141270056 /nfs/dbraw/zinc/27/00/56/141270056.db2.gz CIBCIHUWRRZHCL-WBVHZDCISA-N 2 0 344.459 1.033 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC1CC[NH2+]CC1 ZINC000333231469 141284667 /nfs/dbraw/zinc/28/46/67/141284667.db2.gz YJNCIGJLEKIIRM-UHFFFAOYSA-N 2 0 331.464 1.620 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000333425460 141316085 /nfs/dbraw/zinc/31/60/85/141316085.db2.gz TXJBJOWSSBOIDJ-FICVDOATSA-N 2 0 338.521 1.255 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000333489775 141325913 /nfs/dbraw/zinc/32/59/13/141325913.db2.gz DDCPQUAQASPUFU-DACLVMHWSA-N 2 0 346.475 1.533 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000333587856 141341139 /nfs/dbraw/zinc/34/11/39/141341139.db2.gz OQIYLYIMXIYNJH-CQSZACIVSA-N 2 0 330.432 1.799 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333653392 141351118 /nfs/dbraw/zinc/35/11/18/141351118.db2.gz KFIRLPBLIVZNQK-RDJZCZTQSA-N 2 0 338.496 1.128 20 0 EDADRP COCC1(CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)CC[NH2+]CC1 ZINC000333754594 141373897 /nfs/dbraw/zinc/37/38/97/141373897.db2.gz ZOOBGTPONOAENW-MRXNPFEDSA-N 2 0 338.496 1.034 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000333767753 141376915 /nfs/dbraw/zinc/37/69/15/141376915.db2.gz BMXPRFMMYROKDL-RDJZCZTQSA-N 2 0 338.496 1.258 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000336872159 141468729 /nfs/dbraw/zinc/46/87/29/141468729.db2.gz KUKPSGJSEBTBBI-UHFFFAOYSA-N 2 0 326.481 1.744 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000337723314 141657044 /nfs/dbraw/zinc/65/70/44/141657044.db2.gz QYSLPJLWTOEBQF-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000339847906 142176375 /nfs/dbraw/zinc/17/63/75/142176375.db2.gz LFQZRQPXKCABSF-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP NC(=O)C1([NH2+]C/C=C\C[NH2+]C2(C(N)=O)CCCCC2)CCCCC1 ZINC000340173587 142291437 /nfs/dbraw/zinc/29/14/37/142291437.db2.gz SAGWQVQILRTICV-FPLPWBNLSA-N 2 0 336.480 1.098 20 0 EDADRP Cn1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)nn1 ZINC000344720933 143002784 /nfs/dbraw/zinc/00/27/84/143002784.db2.gz HOYKHCDKHNCULD-UHFFFAOYSA-N 2 0 343.475 1.976 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ncn(C)n2)CC1 ZINC000344936999 143028721 /nfs/dbraw/zinc/02/87/21/143028721.db2.gz YUAOELZUUCAOOH-UHFFFAOYSA-N 2 0 328.464 1.289 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]([NH3+])CC(F)F)[NH+]2CCCC2)cc1 ZINC000345713498 143124584 /nfs/dbraw/zinc/12/45/84/143124584.db2.gz NUMJPMSZFOLQDX-GJZGRUSLSA-N 2 0 341.402 1.931 20 0 EDADRP CN(C(=O)[C@H]([NH3+])CC(F)F)C1CC[NH+](CCc2ccccn2)CC1 ZINC000345729358 143126482 /nfs/dbraw/zinc/12/64/82/143126482.db2.gz WRLCMKPTVCYGCI-OAHLLOKOSA-N 2 0 340.418 1.529 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@H+](C)C1 ZINC000346007920 143156805 /nfs/dbraw/zinc/15/68/05/143156805.db2.gz IHDBEOWTAUGLIA-MSOLQXFVSA-N 2 0 348.491 1.609 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000346163216 143174023 /nfs/dbraw/zinc/17/40/23/143174023.db2.gz LHWQVTTXLKIUNX-WMZOPIPTSA-N 2 0 333.476 1.449 20 0 EDADRP CN(C(=O)CC1([NH+]2CCOCC2)CCCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000346970981 143267400 /nfs/dbraw/zinc/26/74/00/143267400.db2.gz KJCLZVYYBUZVMI-QGZVFWFLSA-N 2 0 335.492 1.574 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC[C@H](O)C[NH+]1CCCC1 ZINC000347034258 143274325 /nfs/dbraw/zinc/27/43/25/143274325.db2.gz CMQAEXSJBLSWTQ-NEWSRXKRSA-N 2 0 332.492 1.338 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@@H]2C)C1 ZINC000347048704 143276338 /nfs/dbraw/zinc/27/63/38/143276338.db2.gz QRFVSPQQQINIAI-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP CCOCc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347061102 143277623 /nfs/dbraw/zinc/27/76/23/143277623.db2.gz YLEKQRWANHTGEH-MRXNPFEDSA-N 2 0 349.475 1.519 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000347061670 143277734 /nfs/dbraw/zinc/27/77/34/143277734.db2.gz BMEAKELVMWKGRE-IRXDYDNUSA-N 2 0 334.464 1.309 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000347147263 143287654 /nfs/dbraw/zinc/28/76/54/143287654.db2.gz MOIVXMUTRSTJEK-HZPDHXFCSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)C[N@H+](C)[C@@H]2CCSC2)C[C@@H](C)O1 ZINC000347426287 143319515 /nfs/dbraw/zinc/31/95/15/143319515.db2.gz KZXSQDXPTHKCLP-BZUAXINKSA-N 2 0 343.537 1.429 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000347582576 143337415 /nfs/dbraw/zinc/33/74/15/143337415.db2.gz FZPUZFPTSQCTQE-JJXSEGSLSA-N 2 0 326.485 1.076 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCC(C)(C)[NH3+])[NH+](C)C)cc1OC ZINC000416822620 304350046 /nfs/dbraw/zinc/35/00/46/304350046.db2.gz XIOFSCUUODUJEA-ZDUSSCGKSA-N 2 0 338.452 1.343 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)[C@H](C)C1 ZINC000417670867 286060622 /nfs/dbraw/zinc/06/06/22/286060622.db2.gz OYGNMNFCRYVZMC-JJXSEGSLSA-N 2 0 326.485 1.112 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000416867482 304353056 /nfs/dbraw/zinc/35/30/56/304353056.db2.gz LIWQMJZGDGEOHH-BZUAXINKSA-N 2 0 326.485 1.160 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000352961630 149231741 /nfs/dbraw/zinc/23/17/41/149231741.db2.gz IKHNAAGBGGSPME-UHFFFAOYSA-N 2 0 329.439 1.654 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353325638 149365664 /nfs/dbraw/zinc/36/56/64/149365664.db2.gz CLTIYYHTENPPDX-MRXNPFEDSA-N 2 0 325.497 1.914 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416962518 304356063 /nfs/dbraw/zinc/35/60/63/304356063.db2.gz AKRUKCRWGRITKA-WMLDXEAASA-N 2 0 334.464 1.424 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000416963689 304355856 /nfs/dbraw/zinc/35/58/56/304355856.db2.gz BLOUKFRRORGDHB-RDJZCZTQSA-N 2 0 348.491 1.753 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H](C[NH3+])C2CCCC2)cc1 ZINC000416971131 304357713 /nfs/dbraw/zinc/35/77/13/304357713.db2.gz OWTSDABSPTVNFH-GOSISDBHSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979762 304360435 /nfs/dbraw/zinc/36/04/35/304360435.db2.gz XJWTTXLREPAHJX-LSDHHAIUSA-N 2 0 334.464 1.519 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000355062837 150098035 /nfs/dbraw/zinc/09/80/35/150098035.db2.gz QQZGLPLPSCYTNG-UHFFFAOYSA-N 2 0 326.485 1.052 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000355182731 150156988 /nfs/dbraw/zinc/15/69/88/150156988.db2.gz FCBWQGCXOCMRSE-KRWDZBQOSA-N 2 0 345.491 1.461 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1CN2CCN1CC2)[N@H+](C)Cc1ccccc1 ZINC000355192694 150160068 /nfs/dbraw/zinc/16/00/68/150160068.db2.gz UBMLWMCSLGMMFV-ZWKOTPCHSA-N 2 0 330.476 1.013 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NCCN2CC[NH2+]CC2)c1 ZINC000416983670 304361404 /nfs/dbraw/zinc/36/14/04/304361404.db2.gz NQNCXIFYEKYWOD-UHFFFAOYSA-N 2 0 347.507 1.233 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417027668 304362165 /nfs/dbraw/zinc/36/21/65/304362165.db2.gz UFSXLLSNCLLIRW-QZTJIDSGSA-N 2 0 347.507 1.402 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356088441 150503806 /nfs/dbraw/zinc/50/38/06/150503806.db2.gz FRVYWNYVCTURMC-SFHVURJKSA-N 2 0 341.459 1.388 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000357638498 151095784 /nfs/dbraw/zinc/09/57/84/151095784.db2.gz SOVCKBSAGDTZTL-IXDOHACOSA-N 2 0 339.524 1.943 20 0 EDADRP CSC1(CNC(=O)NCCC2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000357957931 151210280 /nfs/dbraw/zinc/21/02/80/151210280.db2.gz MRRDQNAFUXZROC-UHFFFAOYSA-N 2 0 342.553 1.845 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OCC(=O)N(C)C ZINC000358002550 151231068 /nfs/dbraw/zinc/23/10/68/151231068.db2.gz GNNJHAYDLNQTBN-GOEBONIOSA-N 2 0 349.475 1.592 20 0 EDADRP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111338 151274973 /nfs/dbraw/zinc/27/49/73/151274973.db2.gz LPDUAXKZZKKSQR-JKSUJKDBSA-N 2 0 345.491 1.868 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN(C)C2CC[NH+](C(C)C)CC2)CC1 ZINC000358208179 151305944 /nfs/dbraw/zinc/30/59/44/151305944.db2.gz LXSAQLXPVSFXHW-UHFFFAOYSA-N 2 0 338.540 1.780 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCc3nc[nH]c3C2)C1 ZINC000358277510 151324302 /nfs/dbraw/zinc/32/43/02/151324302.db2.gz KPVYQRCMJQJNEQ-HUUCEWRRSA-N 2 0 349.479 1.409 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@H]1C ZINC000358449366 151380377 /nfs/dbraw/zinc/38/03/77/151380377.db2.gz MJXOIUUJSOUTMK-HUUCEWRRSA-N 2 0 334.464 1.577 20 0 EDADRP COc1ccc(NC(=[NH2+])NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1OC ZINC000360572830 152103814 /nfs/dbraw/zinc/10/38/14/152103814.db2.gz MPVFCOBCPCFYPV-KBPBESRZSA-N 2 0 334.420 1.503 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N2CCC(c3c[nH]cn3)CC2)CC1 ZINC000360736436 152176607 /nfs/dbraw/zinc/17/66/07/152176607.db2.gz URKCICDAJZANBF-UHFFFAOYSA-N 2 0 348.495 1.325 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360789564 152205763 /nfs/dbraw/zinc/20/57/63/152205763.db2.gz VOXDIKZGISYEEO-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000360796427 152208453 /nfs/dbraw/zinc/20/84/53/152208453.db2.gz GKMXSDOUTLHIQX-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](C)C1 ZINC000360803037 152212198 /nfs/dbraw/zinc/21/21/98/152212198.db2.gz UKUXZCKOMFAEKE-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000360897792 152245617 /nfs/dbraw/zinc/24/56/17/152245617.db2.gz OUGOEMFHRYZGHT-QFBILLFUSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000361000598 152275949 /nfs/dbraw/zinc/27/59/49/152275949.db2.gz YYRSFSSKUFZXMD-NZSAHSFTSA-N 2 0 342.487 1.013 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184907 152328954 /nfs/dbraw/zinc/32/89/54/152328954.db2.gz ZOADWPLQRCHOOY-HOCLYGCPSA-N 2 0 331.460 1.955 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000361215084 152337541 /nfs/dbraw/zinc/33/75/41/152337541.db2.gz MHNVVCHTRXMELM-IBGZPJMESA-N 2 0 342.487 1.289 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000361407004 152385546 /nfs/dbraw/zinc/38/55/46/152385546.db2.gz XKEYCVSOKARYAP-DLBZAZTESA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H](NC(=O)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1)c1ccccc1 ZINC000361428149 152391909 /nfs/dbraw/zinc/39/19/09/152391909.db2.gz AQOGKJIGFGZHHS-HKUYNNGSSA-N 2 0 344.503 1.576 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+]([C@@H](C)CN3CCOCC3)CC2)CC1 ZINC000362306899 152674901 /nfs/dbraw/zinc/67/49/01/152674901.db2.gz RMQIJCQFWQUWHO-SFHVURJKSA-N 2 0 338.540 1.199 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566092 152745255 /nfs/dbraw/zinc/74/52/55/152745255.db2.gz FNYYNFBIUKENMP-KFWWJZLASA-N 2 0 347.507 1.973 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C[C@@H]1[NH+](C)C ZINC000362631382 152764477 /nfs/dbraw/zinc/76/44/77/152764477.db2.gz OYBIMYNWEWAAHT-VYDXJSESSA-N 2 0 338.496 1.079 20 0 EDADRP COCC1(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000417177935 304380573 /nfs/dbraw/zinc/38/05/73/304380573.db2.gz KFKLIZAWGCJFMQ-MRXNPFEDSA-N 2 0 340.512 1.424 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC[NH2+]1 ZINC000417177015 304380577 /nfs/dbraw/zinc/38/05/77/304380577.db2.gz CKSAVCSCTMQSAO-IEBWSBKVSA-N 2 0 348.491 1.227 20 0 EDADRP CC[NH2+]CCNC(=O)NC1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000417169860 304380418 /nfs/dbraw/zinc/38/04/18/304380418.db2.gz IGRSOSMFFMLMOR-UHFFFAOYSA-N 2 0 340.418 1.838 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCc1cccc(CN2CCOCC2)c1 ZINC000417169333 304380422 /nfs/dbraw/zinc/38/04/22/304380422.db2.gz DEALDEBQCUNDBK-UHFFFAOYSA-N 2 0 346.475 1.460 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363638051 153018401 /nfs/dbraw/zinc/01/84/01/153018401.db2.gz GLHVTYGKCVVPIG-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363717593 153038047 /nfs/dbraw/zinc/03/80/47/153038047.db2.gz HFWMYELTDNDXBC-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP O[C@H]1C[N@H+](Cc2ccccc2C[NH+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441406 153237965 /nfs/dbraw/zinc/23/79/65/153237965.db2.gz DXZQISCSQYHKIH-HDICACEKSA-N 2 0 328.456 1.600 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417209598 304384634 /nfs/dbraw/zinc/38/46/34/304384634.db2.gz CKDVMRSIELVJIV-KONPQCLYSA-N 2 0 340.512 1.645 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417240115 304387054 /nfs/dbraw/zinc/38/70/54/304387054.db2.gz PDRRUBKSVRAVAR-HRCADAONSA-N 2 0 340.512 1.645 20 0 EDADRP COC[C@@]1(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417241442 304387327 /nfs/dbraw/zinc/38/73/27/304387327.db2.gz RMOCDDMAJIJFEM-QAPCUYQASA-N 2 0 340.512 1.565 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC000367371252 154092953 /nfs/dbraw/zinc/09/29/53/154092953.db2.gz JMKOEPNJAKENPH-UHFFFAOYSA-N 2 0 336.524 1.204 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000367641708 154209067 /nfs/dbraw/zinc/20/90/67/154209067.db2.gz FGTVUPSLXMPOFI-MRXNPFEDSA-N 2 0 329.444 1.550 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000367648625 154212823 /nfs/dbraw/zinc/21/28/23/154212823.db2.gz KIQKTTMCAMJQKE-IPMKNSEASA-N 2 0 345.487 1.564 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367661485 154218296 /nfs/dbraw/zinc/21/82/96/154218296.db2.gz RNALQZBSUZVEFW-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367911873 154322815 /nfs/dbraw/zinc/32/28/15/154322815.db2.gz ZZKPEPSIKGNEIL-AWEZNQCLSA-N 2 0 347.463 1.464 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCN(C)[C@@H](c3nccn3C)C2)CC1 ZINC000369498544 155060940 /nfs/dbraw/zinc/06/09/40/155060940.db2.gz BYMUFFSHPBSZMW-GOSISDBHSA-N 2 0 348.539 1.125 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000369657560 155123154 /nfs/dbraw/zinc/12/31/54/155123154.db2.gz NYJCWGBDPKDQIR-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N(C)C1C[NH2+]C1)c1ccccc1 ZINC000417487925 304399928 /nfs/dbraw/zinc/39/99/28/304399928.db2.gz BSCXSPBRKWRCMW-KRWDZBQOSA-N 2 0 334.464 1.309 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H]2CN3CCCC[C@H]3CO2)C1 ZINC000372341782 156344887 /nfs/dbraw/zinc/34/48/87/156344887.db2.gz IWMMNFWQHWPXHW-IKGGRYGDSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523413 304403098 /nfs/dbraw/zinc/40/30/98/304403098.db2.gz HXAZZEMPMPDOEL-QAPCUYQASA-N 2 0 348.491 1.467 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])Cc1ccc(OC)c(F)c1 ZINC000575401856 306669245 /nfs/dbraw/zinc/66/92/45/306669245.db2.gz PZZFMPNMAVTBNS-OBJOEFQTSA-N 2 0 325.428 1.454 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC[NH+]2CCCCCC2)cn1 ZINC000375369864 157557272 /nfs/dbraw/zinc/55/72/72/157557272.db2.gz ZNXJMXWYNWROQG-SJORKVTESA-N 2 0 333.480 1.105 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000375993485 157708295 /nfs/dbraw/zinc/70/82/95/157708295.db2.gz QHENGELJIBARHF-ROUUACIJSA-N 2 0 331.460 1.756 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000378215178 158112262 /nfs/dbraw/zinc/11/22/62/158112262.db2.gz SGHSWBKXMCMBIU-UHFFFAOYSA-N 2 0 347.507 1.831 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000378633669 158223045 /nfs/dbraw/zinc/22/30/45/158223045.db2.gz ACXMRGCWAHTJCO-HNNXBMFYSA-N 2 0 329.448 1.882 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000417915382 304430847 /nfs/dbraw/zinc/43/08/47/304430847.db2.gz SRJRYOFBBHLULO-GJZGRUSLSA-N 2 0 326.485 1.181 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000352499820 162214814 /nfs/dbraw/zinc/21/48/14/162214814.db2.gz LWMFYBMNIHRZJC-MRXNPFEDSA-N 2 0 339.505 1.901 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000418057713 304452457 /nfs/dbraw/zinc/45/24/57/304452457.db2.gz NFKWFERXRIDRCC-QZTJIDSGSA-N 2 0 330.476 1.542 20 0 EDADRP O=C(C[NH+]1CCC(CO)CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076652289 287285113 /nfs/dbraw/zinc/28/51/13/287285113.db2.gz BHKXPXRIXXYBPQ-UHFFFAOYSA-N 2 0 345.487 1.603 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)NC(C)C)CC1 ZINC000088670493 287319467 /nfs/dbraw/zinc/31/94/67/287319467.db2.gz WHXJXENPCRGLGO-UHFFFAOYSA-N 2 0 332.492 1.833 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418333818 304481936 /nfs/dbraw/zinc/48/19/36/304481936.db2.gz VPMAVHXNQSKDEK-YESZJQIVSA-N 2 0 331.464 1.249 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000418350425 304484170 /nfs/dbraw/zinc/48/41/70/304484170.db2.gz YPZZCPRCVBDUGV-KYJSFNMBSA-N 2 0 348.466 1.818 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])C1 ZINC000418468493 304499244 /nfs/dbraw/zinc/49/92/44/304499244.db2.gz OWZZYMIQEZESIO-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP COCC1(CNC(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000418471911 304499798 /nfs/dbraw/zinc/49/97/98/304499798.db2.gz WGGSZUFDHVHXAF-AWEZNQCLSA-N 2 0 334.464 1.522 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000418480173 304500437 /nfs/dbraw/zinc/50/04/37/304500437.db2.gz QNEAAKUMWVCBEY-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP [NH3+]CCCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418505324 304505325 /nfs/dbraw/zinc/50/53/25/304505325.db2.gz CUTAZQQFNDTYAN-SWLSCSKDSA-N 2 0 326.391 1.448 20 0 EDADRP COCC[NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1C ZINC000237254598 273008634 /nfs/dbraw/zinc/00/86/34/273008634.db2.gz REXQLEKGAVQPQQ-UHFFFAOYSA-N 2 0 337.489 1.718 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237107427 273007799 /nfs/dbraw/zinc/00/77/99/273007799.db2.gz FLVJASFRWZSAND-KRWDZBQOSA-N 2 0 332.492 1.479 20 0 EDADRP COc1cc2c(cc1OC)CN(CCNC(=O)C1([NH3+])CCCC1)CC2 ZINC000237408870 273009807 /nfs/dbraw/zinc/00/98/07/273009807.db2.gz RKOYHFWZSCDARV-UHFFFAOYSA-N 2 0 347.459 1.450 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000085425784 267418126 /nfs/dbraw/zinc/41/81/26/267418126.db2.gz PXNWKQMSGOXYAT-JKSUJKDBSA-N 2 0 340.512 1.326 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)c1 ZINC000237201758 267925446 /nfs/dbraw/zinc/92/54/46/267925446.db2.gz ONUCTSKRRVANJF-KRWDZBQOSA-N 2 0 335.448 1.012 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(OCC[N@@H+]2CC[C@H](C)C2)cc1 ZINC000278246905 273256732 /nfs/dbraw/zinc/25/67/32/273256732.db2.gz MDQDZQPRHVZHMW-YOEHRIQHSA-N 2 0 335.448 1.710 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+](C)[C@@H](C)CC)C1 ZINC000359257055 276247800 /nfs/dbraw/zinc/24/78/00/276247800.db2.gz AWCLGXMIUHHDKE-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340050395 276328975 /nfs/dbraw/zinc/32/89/75/276328975.db2.gz BTYFAYLRDVSEQG-BZUAXINKSA-N 2 0 333.542 1.614 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000458552553 276756487 /nfs/dbraw/zinc/75/64/87/276756487.db2.gz MZAYNWRUWIAEDS-HZPDHXFCSA-N 2 0 340.512 1.394 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000414946098 277033524 /nfs/dbraw/zinc/03/35/24/277033524.db2.gz SNCWTHFCKKSSFS-WFASDCNBSA-N 2 0 330.432 1.086 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697605 277304868 /nfs/dbraw/zinc/30/48/68/277304868.db2.gz FHJGOCMWCNJCAI-BPQIPLTHSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)CCOC3C[NH2+]C3)CC2)CC1 ZINC000349026648 277340412 /nfs/dbraw/zinc/34/04/12/277340412.db2.gz KKTHMBJYLJXSEW-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nccn1CCCN(C)C(=O)C(=O)NCC[N@H+](C)C1CCCC1 ZINC000286441787 288006697 /nfs/dbraw/zinc/00/66/97/288006697.db2.gz RKTHPZSKORUBSI-UHFFFAOYSA-N 2 0 349.479 1.031 20 0 EDADRP C[C@H](CC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC[NH2+]CC1 ZINC000377199732 278163786 /nfs/dbraw/zinc/16/37/86/278163786.db2.gz VWZMNLXJTDPNSG-WBVHZDCISA-N 2 0 336.524 1.297 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000305635610 278170442 /nfs/dbraw/zinc/17/04/42/278170442.db2.gz HRCXYWHWHWYKJH-BPQIPLTHSA-N 2 0 348.491 1.261 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360747693 278888375 /nfs/dbraw/zinc/88/83/75/278888375.db2.gz SUZALHVQEOYECO-INIZCTEOSA-N 2 0 328.526 1.407 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000114021138 278971546 /nfs/dbraw/zinc/97/15/46/278971546.db2.gz BIZAZXMVPZPCDQ-HNNXBMFYSA-N 2 0 328.501 1.373 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@]1(C)CCN(C(=O)C[NH+](CC)CC)C1 ZINC000337553939 279090308 /nfs/dbraw/zinc/09/03/08/279090308.db2.gz IDMDPSWNFQNLKQ-SFHVURJKSA-N 2 0 340.512 1.025 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362554878 279827091 /nfs/dbraw/zinc/82/70/91/279827091.db2.gz CFLBDSDOSKULSM-ZDUSSCGKSA-N 2 0 331.464 1.623 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)NCC[NH+](C)C)[NH+](C)C)cc1 ZINC000287891839 288349465 /nfs/dbraw/zinc/34/94/65/288349465.db2.gz GLCWBCJHWLGOPV-KRWDZBQOSA-N 2 0 336.480 1.937 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000289863469 288793026 /nfs/dbraw/zinc/79/30/26/288793026.db2.gz LEQADVKYIGZKCS-OALUTQOASA-N 2 0 344.503 1.576 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000262023204 289109740 /nfs/dbraw/zinc/10/97/40/289109740.db2.gz ZFOVZEBHVSNSFD-ABAIWWIYSA-N 2 0 340.265 1.820 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418441934 289141974 /nfs/dbraw/zinc/14/19/74/289141974.db2.gz CZWSINPODJGNTI-SJORKVTESA-N 2 0 334.464 1.439 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000291872543 289202494 /nfs/dbraw/zinc/20/24/94/289202494.db2.gz IMSPHGANCSOMEV-UYAOXDASSA-N 2 0 344.503 1.897 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292050455 289248736 /nfs/dbraw/zinc/24/87/36/289248736.db2.gz BMAIWJLYYNUODI-ICSRJNTNSA-N 2 0 344.503 1.433 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292237991 289296101 /nfs/dbraw/zinc/29/61/01/289296101.db2.gz WLRGTCPIHKFRBI-UGSOOPFHSA-N 2 0 330.432 1.140 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000367284021 290047189 /nfs/dbraw/zinc/04/71/89/290047189.db2.gz CBXCUCVEIXKFNA-OALUTQOASA-N 2 0 339.524 1.879 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000333416323 295302901 /nfs/dbraw/zinc/30/29/01/295302901.db2.gz RXRDECQELVVWGY-DFBDCSAJSA-N 2 0 335.492 1.652 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418553652 304512144 /nfs/dbraw/zinc/51/21/44/304512144.db2.gz CSLXWVRZSMVETJ-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418871057 304542115 /nfs/dbraw/zinc/54/21/15/304542115.db2.gz ZIBJJVJYMYETHW-IAGOWNOFSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N2CCCC[C@@H]2C[NH3+])CCCCCC1 ZINC000418905679 304547798 /nfs/dbraw/zinc/54/77/98/304547798.db2.gz VKCUZIVOMKBMAZ-OAHLLOKOSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000333941985 300142038 /nfs/dbraw/zinc/14/20/38/300142038.db2.gz POWKSLCAGVVKNR-LSDHHAIUSA-N 2 0 340.537 1.727 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419701759 304666062 /nfs/dbraw/zinc/66/60/62/304666062.db2.gz ALVVYOOEKRMSJL-HRCADAONSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000419952867 304716452 /nfs/dbraw/zinc/71/64/52/304716452.db2.gz KFGGDSFXCWALLH-AWEZNQCLSA-N 2 0 340.512 1.056 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)Cc1ccc(Cl)c(F)c1 ZINC000420465706 304761708 /nfs/dbraw/zinc/76/17/08/304761708.db2.gz ZBQXEXFEERNEKX-UHFFFAOYSA-N 2 0 337.848 1.309 20 0 EDADRP C[C@H](CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)C[NH+](C)C ZINC000293753423 303013377 /nfs/dbraw/zinc/01/33/77/303013377.db2.gz MJBDHXFVUFKPRF-MRXNPFEDSA-N 2 0 332.492 1.362 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)c2nccn2c1 ZINC000295116150 303174943 /nfs/dbraw/zinc/17/49/43/303174943.db2.gz XXRYRVZLLVUATB-CQSZACIVSA-N 2 0 345.447 1.818 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+]([C@H]3CCC[C@H]3O)CC1)CO2 ZINC000296670282 303330106 /nfs/dbraw/zinc/33/01/06/303330106.db2.gz FVEMRXJROAMBGE-YTQUADARSA-N 2 0 346.471 1.966 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000414870433 447335812 /nfs/dbraw/zinc/33/58/12/447335812.db2.gz MKXGECDUJHUYPF-INIZCTEOSA-N 2 0 344.459 1.289 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419671750 447336006 /nfs/dbraw/zinc/33/60/06/447336006.db2.gz YSPIUFQIZOLHJF-HZPDHXFCSA-N 2 0 340.512 1.116 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000414884905 447344051 /nfs/dbraw/zinc/34/40/51/447344051.db2.gz OHMISSBBBSVLNB-QGZVFWFLSA-N 2 0 342.443 1.207 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000423119615 304887682 /nfs/dbraw/zinc/88/76/82/304887682.db2.gz FEAOMUAVLRSIOT-RWMBFGLXSA-N 2 0 331.507 1.617 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423378652 304894016 /nfs/dbraw/zinc/89/40/16/304894016.db2.gz MLMBVWZDLSFZOB-RBSFLKMASA-N 2 0 333.480 1.869 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccc(C[NH+](C)C)cc2)C1(C)C ZINC000423725599 304905992 /nfs/dbraw/zinc/90/59/92/304905992.db2.gz JESQOMPWSGUWKL-VQIMIIECSA-N 2 0 333.476 1.897 20 0 EDADRP Cn1cc(C(=O)NC[C@H]([NH3+])c2ccccc2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424078090 304928044 /nfs/dbraw/zinc/92/80/44/304928044.db2.gz PMCLEJIXVASSEA-ZBFHGGJFSA-N 2 0 327.432 1.317 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000427993029 305003215 /nfs/dbraw/zinc/00/32/15/305003215.db2.gz OAILFOAFOJYHOJ-HUUCEWRRSA-N 2 0 325.497 1.865 20 0 EDADRP CCN(C[C@H]1COc2ccccc2O1)C(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000430571213 305056286 /nfs/dbraw/zinc/05/62/86/305056286.db2.gz LPNVWJHWGOIVAR-HNAYVOBHSA-N 2 0 349.475 1.638 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CCC[C@H]2C[NH3+])CC1 ZINC000430589406 305057491 /nfs/dbraw/zinc/05/74/91/305057491.db2.gz AJGKARNKPIGVSF-IBGZPJMESA-N 2 0 344.503 1.452 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCc2ccccc2COC)CC1 ZINC000430597702 305057647 /nfs/dbraw/zinc/05/76/47/305057647.db2.gz MOUHJBLCGVCEPC-UHFFFAOYSA-N 2 0 333.476 1.771 20 0 EDADRP C[C@H](C(=O)NCCc1cccs1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430596755 305057707 /nfs/dbraw/zinc/05/77/07/305057707.db2.gz PDMRIBIARGSZFH-CQSZACIVSA-N 2 0 339.505 1.625 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3cccc(F)c3)o2)C1 ZINC000430606817 305058438 /nfs/dbraw/zinc/05/84/38/305058438.db2.gz AUOFKVKPVXWGPW-CQSZACIVSA-N 2 0 346.406 1.768 20 0 EDADRP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609204 305058559 /nfs/dbraw/zinc/05/85/59/305058559.db2.gz HIIXDMYHLLMUKD-CVEARBPZSA-N 2 0 346.475 1.417 20 0 EDADRP Cc1ccccc1OCCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430653634 305061357 /nfs/dbraw/zinc/06/13/57/305061357.db2.gz PCKMAROFJXLTRK-GOSISDBHSA-N 2 0 345.487 1.908 20 0 EDADRP COc1ccc(Cl)cc1CNC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430666430 305061819 /nfs/dbraw/zinc/06/18/19/305061819.db2.gz OJPRHHXECQKVQO-UHFFFAOYSA-N 2 0 325.840 1.636 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[N@@H+]1CCCC[C@@H]1C ZINC000430747935 305064043 /nfs/dbraw/zinc/06/40/43/305064043.db2.gz NZHSZPOJKOXNSF-KBPBESRZSA-N 2 0 334.468 1.195 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000430756664 305064188 /nfs/dbraw/zinc/06/41/88/305064188.db2.gz SRPIKXIWCMHHHI-MSOLQXFVSA-N 2 0 337.508 1.855 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781562 305064940 /nfs/dbraw/zinc/06/49/40/305064940.db2.gz UDDZQRZAUGYCFA-XKGZKEIXSA-N 2 0 345.487 1.782 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430781563 305065001 /nfs/dbraw/zinc/06/50/01/305065001.db2.gz UDDZQRZAUGYCFA-YVWKXTFCSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431039981 305073478 /nfs/dbraw/zinc/07/34/78/305073478.db2.gz UHKKNTUHVRQNTJ-CYBMUJFWSA-N 2 0 348.422 1.938 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000433120392 305100926 /nfs/dbraw/zinc/10/09/26/305100926.db2.gz YSYSTWFGKQUEQN-HOTGVXAUSA-N 2 0 346.475 1.553 20 0 EDADRP Cn1c2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2n(C)c1=O ZINC000433133706 305101351 /nfs/dbraw/zinc/10/13/51/305101351.db2.gz OVVFAABBJJVALZ-UHFFFAOYSA-N 2 0 345.447 1.019 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433294776 305105425 /nfs/dbraw/zinc/10/54/25/305105425.db2.gz NFQQTIGMOQZKEO-IRXDYDNUSA-N 2 0 342.528 1.763 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C2(CCCCC2)C1 ZINC000433394193 305107679 /nfs/dbraw/zinc/10/76/79/305107679.db2.gz KTAISXLUWNSKHD-OAHLLOKOSA-N 2 0 346.479 1.293 20 0 EDADRP CCC[N@H+](C)CC(=O)N(Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435572402 305142797 /nfs/dbraw/zinc/14/27/97/305142797.db2.gz FIVOVOOGZIIRAT-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000436065227 305152014 /nfs/dbraw/zinc/15/20/14/305152014.db2.gz OQZZBRMXTPRCNG-ZACQAIPSSA-N 2 0 325.497 1.901 20 0 EDADRP C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+]1CCCC[C@H]1C[C@H](C)O ZINC000447844513 305286925 /nfs/dbraw/zinc/28/69/25/305286925.db2.gz QKFIRFTXEVPNKT-XCDZQEORSA-N 2 0 342.524 1.598 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@H](C)O1 ZINC000449331500 305311595 /nfs/dbraw/zinc/31/15/95/305311595.db2.gz ZFRHOYAISKLMHK-VVLHAWIVSA-N 2 0 325.497 1.900 20 0 EDADRP CO[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](OC)[C@H](C)C2)C[C@H]1C ZINC000451565628 305354067 /nfs/dbraw/zinc/35/40/67/305354067.db2.gz LMBNDZQNVJORGL-TVFCKZIOSA-N 2 0 328.497 1.717 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(C)CCC(=O)N2)CC1 ZINC000453594094 305408338 /nfs/dbraw/zinc/40/83/38/305408338.db2.gz WKKRZQFFDKVROU-FQEVSTJZSA-N 2 0 344.503 1.977 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000471768882 305540243 /nfs/dbraw/zinc/54/02/43/305540243.db2.gz IOYHIMCLPYWQLS-KURKYZTESA-N 2 0 331.460 1.174 20 0 EDADRP CC1(C)NC(=O)CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000495075404 305635320 /nfs/dbraw/zinc/63/53/20/305635320.db2.gz QSRZTYPATHRDAQ-QGZVFWFLSA-N 2 0 345.491 1.241 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+]C3CCC([NH3+])CC3)C2=O)c(OC)c1 ZINC000515483457 305722850 /nfs/dbraw/zinc/72/28/50/305722850.db2.gz WHGXKHYDFLHFGX-DQPZFDDXSA-N 2 0 347.459 1.664 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000516968921 305745544 /nfs/dbraw/zinc/74/55/44/305745544.db2.gz GRNYYZSVGUECAT-GDBMZVCRSA-N 2 0 327.513 1.562 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000518497238 305762023 /nfs/dbraw/zinc/76/20/23/305762023.db2.gz DOXJQQYYWBFHJH-RDJZCZTQSA-N 2 0 346.475 1.835 20 0 EDADRP Cc1cc(NC(=O)N[C@@](C)(C[NH3+])C2CC2)n(C2CC[NH+](C)CC2)n1 ZINC000520369175 305778737 /nfs/dbraw/zinc/77/87/37/305778737.db2.gz BXTKHRSWWJVRRG-KRWDZBQOSA-N 2 0 334.468 1.707 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(F)c1 ZINC000521216037 305786437 /nfs/dbraw/zinc/78/64/37/305786437.db2.gz QJKHASRJYUUIHF-HOTGVXAUSA-N 2 0 338.427 1.106 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000529284158 305906936 /nfs/dbraw/zinc/90/69/36/305906936.db2.gz DAASYDXGXXVFIK-GOSISDBHSA-N 2 0 345.491 1.685 20 0 EDADRP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530221318 305934420 /nfs/dbraw/zinc/93/44/20/305934420.db2.gz DJWKCTJKZOYLIA-MLHJIOFPSA-N 2 0 329.444 1.560 20 0 EDADRP CN(C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)c1ccccc1 ZINC000530237219 305935376 /nfs/dbraw/zinc/93/53/76/305935376.db2.gz BWLKJYJRALRLEU-GOSISDBHSA-N 2 0 331.460 1.740 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000414935288 447363731 /nfs/dbraw/zinc/36/37/31/447363731.db2.gz VHEGQKNXBRHCBW-HNNXBMFYSA-N 2 0 330.432 1.041 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@@H]1C ZINC000536553782 306022328 /nfs/dbraw/zinc/02/23/28/306022328.db2.gz JXFYSBFIQQZAOM-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCCS1(=O)=O ZINC000543240021 306061781 /nfs/dbraw/zinc/06/17/81/306061781.db2.gz QYFBEQOXTSGWOQ-MRXNPFEDSA-N 2 0 334.445 1.633 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000546590933 306093770 /nfs/dbraw/zinc/09/37/70/306093770.db2.gz BCFSNNJUMINBNM-IBGZPJMESA-N 2 0 346.475 1.148 20 0 EDADRP C[C@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[NH+]1CC(C)C1 ZINC000553084429 306182565 /nfs/dbraw/zinc/18/25/65/306182565.db2.gz JSTHTZDOFICAOQ-YESZJQIVSA-N 2 0 337.508 1.674 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000557137977 306224926 /nfs/dbraw/zinc/22/49/26/306224926.db2.gz QUMPNEWOPCYUOX-GDBMZVCRSA-N 2 0 332.448 1.575 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@@H+]([C@@H]3CCc4ccccc4NC3=O)C2)nn1 ZINC000557339406 306227543 /nfs/dbraw/zinc/22/75/43/306227543.db2.gz RBDZXNOVPSBKKL-DOTOQJQBSA-N 2 0 340.431 1.327 20 0 EDADRP CO[C@@H]1C[C@@H]([N@H+](C)Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000449634918 447381121 /nfs/dbraw/zinc/38/11/21/447381121.db2.gz SKUBZGYCYYQMHJ-IAGOWNOFSA-N 2 0 345.491 1.618 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414976783 447381926 /nfs/dbraw/zinc/38/19/26/447381926.db2.gz QHARLWFFEMRLSG-KRWDZBQOSA-N 2 0 349.475 1.688 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000415295783 447404554 /nfs/dbraw/zinc/40/45/54/447404554.db2.gz AVMFBSAZPUQTNJ-QGZVFWFLSA-N 2 0 344.459 1.132 20 0 EDADRP C[C@@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)[C@H](C)[NH3+] ZINC000493960438 447420408 /nfs/dbraw/zinc/42/04/08/447420408.db2.gz LWVLHPUCODTOJW-VNHYZAJKSA-N 2 0 332.448 1.306 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000080545717 441178563 /nfs/dbraw/zinc/17/85/63/441178563.db2.gz USGUXCHMVOBRND-GOSISDBHSA-N 2 0 334.508 1.988 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000080880274 441202958 /nfs/dbraw/zinc/20/29/58/441202958.db2.gz ZYZRYUOMOSBFRF-GOSISDBHSA-N 2 0 345.487 1.472 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000105263359 441245716 /nfs/dbraw/zinc/24/57/16/441245716.db2.gz RUQRZDRTPTTZRB-CQSZACIVSA-N 2 0 347.463 1.405 20 0 EDADRP CC(C)(O)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000106402488 441340208 /nfs/dbraw/zinc/34/02/08/441340208.db2.gz PUFNSSBEQPVFMX-SFHVURJKSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000062504618 441303795 /nfs/dbraw/zinc/30/37/95/441303795.db2.gz KKZFUUSRUYVXEC-HNNXBMFYSA-N 2 0 333.480 1.685 20 0 EDADRP C[C@@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378527259 447439811 /nfs/dbraw/zinc/43/98/11/447439811.db2.gz ULZBOVPUJXLQRY-LSDHHAIUSA-N 2 0 325.497 1.865 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NC[C@H](C)C[NH+]2CCN(C)CC2)cc1 ZINC000066245619 441516081 /nfs/dbraw/zinc/51/60/81/441516081.db2.gz HLXSJZUBAXXHKY-INIZCTEOSA-N 2 0 347.507 1.235 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000139467530 441818376 /nfs/dbraw/zinc/81/83/76/441818376.db2.gz XLSNQCOFPMXNTP-SFHVURJKSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000138708446 441797088 /nfs/dbraw/zinc/79/70/88/441797088.db2.gz ABADZPQKWOPVTA-OAHLLOKOSA-N 2 0 335.496 1.488 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000077593416 441810796 /nfs/dbraw/zinc/81/07/96/441810796.db2.gz YARFJHHFMXRIPA-LSDHHAIUSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000150750526 441942414 /nfs/dbraw/zinc/94/24/14/441942414.db2.gz QFRVRCCFEYCZRM-QGZVFWFLSA-N 2 0 325.497 1.583 20 0 EDADRP Cc1ccc(CNC(=O)[C@@H](C)[N@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000174711908 441955418 /nfs/dbraw/zinc/95/54/18/441955418.db2.gz HEGGYBCVQKUZSC-GOSISDBHSA-N 2 0 346.519 1.569 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000175846205 442133193 /nfs/dbraw/zinc/13/31/93/442133193.db2.gz KEQQVORGFQCKJZ-QGZVFWFLSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000127328226 442193753 /nfs/dbraw/zinc/19/37/53/442193753.db2.gz RKLKTDPQFYPMCS-ZWKOTPCHSA-N 3 0 348.535 1.914 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000176339187 442211467 /nfs/dbraw/zinc/21/14/67/442211467.db2.gz NKCFPOXEAJJJCL-IKGGRYGDSA-N 2 0 339.528 1.042 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000167232511 442219759 /nfs/dbraw/zinc/21/97/59/442219759.db2.gz KOSNSVMTUWZCRZ-QGZVFWFLSA-N 2 0 335.448 1.012 20 0 EDADRP COC1(C(=O)N(C)Cc2nccn2Cc2ccccc2)CC[NH2+]CC1 ZINC000168718177 442224926 /nfs/dbraw/zinc/22/49/26/442224926.db2.gz CHZUAXCMRBDVNZ-UHFFFAOYSA-N 2 0 342.443 1.658 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000171161331 442321707 /nfs/dbraw/zinc/32/17/07/442321707.db2.gz UKODPXBUMUSEFD-UHFFFAOYSA-N 2 0 333.480 1.685 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC(=O)N(CC[NH+](C)C)C1 ZINC000177307372 442326962 /nfs/dbraw/zinc/32/69/62/442326962.db2.gz HNHUVLIYBYKNSQ-MRXNPFEDSA-N 2 0 346.475 1.405 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000171356318 442343082 /nfs/dbraw/zinc/34/30/82/442343082.db2.gz NKJCZWADRRAWRF-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP CC(C)CNC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000177512636 442351838 /nfs/dbraw/zinc/35/18/38/442351838.db2.gz YXKIIEWVLIZCEW-IRXDYDNUSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221108 442315113 /nfs/dbraw/zinc/31/51/13/442315113.db2.gz NGZGEEOETQHASF-HZPDHXFCSA-N 2 0 335.492 1.763 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000171687138 442369810 /nfs/dbraw/zinc/36/98/10/442369810.db2.gz NFOLNSJRUUJUIY-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CC[C@]1(C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)CCC[NH2+]1 ZINC000134584144 442497505 /nfs/dbraw/zinc/49/75/05/442497505.db2.gz UCIMCUOZQRNJQB-GPMSIDNRSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000156678519 442508112 /nfs/dbraw/zinc/50/81/12/442508112.db2.gz YAMCBOJRGORYHP-PKOBYXMFSA-N 2 0 344.503 1.261 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccn1 ZINC000156279062 442462307 /nfs/dbraw/zinc/46/23/07/442462307.db2.gz DVXYBICCEPJMOY-JKSUJKDBSA-N 2 0 332.448 1.331 20 0 EDADRP O=C(CN1CCC[C@@H]([NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000157156087 442554584 /nfs/dbraw/zinc/55/45/84/442554584.db2.gz CYFDVTKBPBCDRW-GOSISDBHSA-N 2 0 348.535 1.680 20 0 EDADRP C[C@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)N1CCc2ccccc2C1 ZINC000134722770 442516064 /nfs/dbraw/zinc/51/60/64/442516064.db2.gz HYQAXQLBTDUSKG-OAHLLOKOSA-N 2 0 341.459 1.830 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000178934232 442529882 /nfs/dbraw/zinc/52/98/82/442529882.db2.gz TWVHRHSIWFWSGF-WMLDXEAASA-N 2 0 338.452 1.028 20 0 EDADRP CC[N@H+](CCO)CCN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000186575544 442565620 /nfs/dbraw/zinc/56/56/20/442565620.db2.gz RUKRCUGSQGITLX-SLFFLAALSA-N 2 0 331.504 1.801 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000187629625 442683388 /nfs/dbraw/zinc/68/33/88/442683388.db2.gz KRGAXGINZUTGRX-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000188069825 442707526 /nfs/dbraw/zinc/70/75/26/442707526.db2.gz GBLTWMATOKQJDL-FUHWJXTLSA-N 2 0 347.459 1.327 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000188449883 442751408 /nfs/dbraw/zinc/75/14/08/442751408.db2.gz GYIVYVFSIPLQTA-GJZGRUSLSA-N 2 0 328.501 1.203 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000188756170 442806039 /nfs/dbraw/zinc/80/60/39/442806039.db2.gz LTDLECLIVPGAFN-HNNXBMFYSA-N 2 0 345.491 1.784 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188762634 442807054 /nfs/dbraw/zinc/80/70/54/442807054.db2.gz NWXXDOFKWIEZGW-KSZLIROESA-N 2 0 349.450 1.248 20 0 EDADRP CC(C)CNC(=O)NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246447879 442782989 /nfs/dbraw/zinc/78/29/89/442782989.db2.gz DSBBRMNAEDDEQR-GOEBONIOSA-N 2 0 336.480 1.417 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1CCOC ZINC000246742215 442808804 /nfs/dbraw/zinc/80/88/04/442808804.db2.gz ZCZOPBOYVAPIEJ-BRWVUGGUSA-N 2 0 325.497 1.853 20 0 EDADRP C[N@H+](CCCO)C1CCN(CCOCC(F)(F)C(F)F)CC1 ZINC000189325469 442921258 /nfs/dbraw/zinc/92/12/58/442921258.db2.gz MGKIPSNHSVSBSE-UHFFFAOYSA-N 2 0 330.366 1.682 20 0 EDADRP C[C@H]([NH3+])CNC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000194939185 442970268 /nfs/dbraw/zinc/97/02/68/442970268.db2.gz JVFLIQRELSGXLB-SWLSCSKDSA-N 2 0 329.366 1.904 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000184202174 443002064 /nfs/dbraw/zinc/00/20/64/443002064.db2.gz ZPIUTXJFIZTWND-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000236726663 443145316 /nfs/dbraw/zinc/14/53/16/443145316.db2.gz JCBKWYXUWVTMBG-DLBZAZTESA-N 2 0 325.497 1.628 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CN(C3CC3)C[C@H]2C)cc1 ZINC000268802252 443112956 /nfs/dbraw/zinc/11/29/56/443112956.db2.gz BKMXSHSXHRUSHE-IIYDPXPESA-N 2 0 337.489 1.728 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261819042 443170727 /nfs/dbraw/zinc/17/07/27/443170727.db2.gz NXTAOHZEOKGIGJ-RIEGTJTDSA-N 2 0 340.265 1.737 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261863985 443172650 /nfs/dbraw/zinc/17/26/50/443172650.db2.gz SLNWKBNDMVPMAG-NUJGCVRESA-N 2 0 337.508 1.853 20 0 EDADRP CC[N@H+](CCCO)CC(=O)N1CCN(Cc2cccc(C)c2)CC1 ZINC000266574925 443173388 /nfs/dbraw/zinc/17/33/88/443173388.db2.gz PYISXLYUGILJEP-UHFFFAOYSA-N 2 0 333.476 1.344 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H](C[NH3+])c2ccccc2)C[C@H](C)O1 ZINC000237665841 443178832 /nfs/dbraw/zinc/17/88/32/443178832.db2.gz IUWMAICFVLLLRF-JZXOWHBKSA-N 2 0 333.476 1.735 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262321348 443190588 /nfs/dbraw/zinc/19/05/88/443190588.db2.gz RJZGZGFYMZBHDZ-IYBDPMFKSA-N 2 0 333.480 1.341 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000236938349 443151916 /nfs/dbraw/zinc/15/19/16/443151916.db2.gz HOMYMZKAAOJIHL-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000268954090 443158346 /nfs/dbraw/zinc/15/83/46/443158346.db2.gz CZIFZDIXRGEGHT-CYBMUJFWSA-N 2 0 347.438 1.822 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)C1C[NH2+]C1 ZINC000262473736 443196065 /nfs/dbraw/zinc/19/60/65/443196065.db2.gz YNYZTPWKGYFCFS-DZGCQCFKSA-N 2 0 344.459 1.178 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000245440123 443227930 /nfs/dbraw/zinc/22/79/30/443227930.db2.gz UFJZBJWFVLMXFM-SQNIBIBYSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000269141899 443211794 /nfs/dbraw/zinc/21/17/94/443211794.db2.gz WMEGPEPZDUUAJC-KRWDZBQOSA-N 2 0 330.476 1.327 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262899232 443215691 /nfs/dbraw/zinc/21/56/91/443215691.db2.gz PITCDUWHQHRJIE-JQHSSLGASA-N 2 0 333.476 1.862 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000269244536 443248775 /nfs/dbraw/zinc/24/87/75/443248775.db2.gz DALGOKMZBOIODT-MRXNPFEDSA-N 2 0 347.463 1.824 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)COC1CC[NH2+]CC1 ZINC000382752250 319124958 /nfs/dbraw/zinc/12/49/58/319124958.db2.gz CSMHBHTXFIEARZ-QGZVFWFLSA-N 2 0 345.487 1.878 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000414650582 319336161 /nfs/dbraw/zinc/33/61/61/319336161.db2.gz AYICCKUIYBOEAN-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000414661968 319337792 /nfs/dbraw/zinc/33/77/92/319337792.db2.gz PHMIEJJFDGDIDK-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000414676621 319340138 /nfs/dbraw/zinc/34/01/38/319340138.db2.gz VQFKLLBTFBVLPG-UHFFFAOYSA-N 2 0 344.459 1.467 20 0 EDADRP C[C@@H]1CO[C@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687969 319342871 /nfs/dbraw/zinc/34/28/71/319342871.db2.gz CIQYFTJMRLKLNS-RYRKJORJSA-N 2 0 331.460 1.646 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415244363 319356339 /nfs/dbraw/zinc/35/63/39/319356339.db2.gz XUHQOHPOTFQNGX-ZIAGYGMSSA-N 2 0 334.464 1.881 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCCC[C@@H]2CCC[NH2+]2)ccc1C[NH+](C)C ZINC000415808127 319371153 /nfs/dbraw/zinc/37/11/53/319371153.db2.gz SECNYUXUZAEZSL-INIZCTEOSA-N 2 0 346.475 1.644 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NCCC[N@@H+]1CCC[C@H]1C(N)=O)c1ccccc1 ZINC000416152875 319392490 /nfs/dbraw/zinc/39/24/90/319392490.db2.gz ZKXLJGOZBFYLNB-IRXDYDNUSA-N 2 0 346.475 1.135 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000185874908 443273960 /nfs/dbraw/zinc/27/39/60/443273960.db2.gz FKXBKMZRLKKPNU-QGZVFWFLSA-N 2 0 327.476 1.988 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000269272740 443261383 /nfs/dbraw/zinc/26/13/83/443261383.db2.gz UFIYKIPIYXGPAW-NXHRZFHOSA-N 2 0 331.460 1.392 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H](C[NH3+])c2ccccc2)Cc2ccccc2C1 ZINC000269278702 443264567 /nfs/dbraw/zinc/26/45/67/443264567.db2.gz ZAKYSNZKXLKMGV-LJQANCHMSA-N 2 0 337.467 1.944 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000185834178 443267019 /nfs/dbraw/zinc/26/70/19/443267019.db2.gz KNXBQEWPGUDJOA-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC[N@@H+]1C ZINC000186037691 443301786 /nfs/dbraw/zinc/30/17/86/443301786.db2.gz UTGUAHRJJPQUPB-HOCLYGCPSA-N 2 0 337.489 1.799 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000416837033 319465813 /nfs/dbraw/zinc/46/58/13/319465813.db2.gz HHVFNGFMVCDFNZ-MSOLQXFVSA-N 2 0 347.507 1.272 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCC(C)(C)[NH3+])CC2)cc1 ZINC000417329904 319492154 /nfs/dbraw/zinc/49/21/54/319492154.db2.gz KEDGTZYOOVNLFG-UHFFFAOYSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccccc1C=O ZINC000264909963 443472365 /nfs/dbraw/zinc/47/23/65/443472365.db2.gz NGTHIOXXBSGOFG-UHFFFAOYSA-N 2 0 349.475 1.610 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278992343 443483715 /nfs/dbraw/zinc/48/37/15/443483715.db2.gz LEVFSOHPJSNQEM-HZPDHXFCSA-N 2 0 341.459 1.389 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000423136152 319752409 /nfs/dbraw/zinc/75/24/09/319752409.db2.gz GYVRQPHWSBDQSA-IEBWDACRSA-N 2 0 334.460 1.870 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423403712 319771558 /nfs/dbraw/zinc/77/15/58/319771558.db2.gz XDXCWLXMWACYKR-QAPCUYQASA-N 2 0 331.485 1.968 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000423419432 319773342 /nfs/dbraw/zinc/77/33/42/319773342.db2.gz WCYNRAAPBMXGIZ-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc(F)cc1 ZINC000279029772 443494210 /nfs/dbraw/zinc/49/42/10/443494210.db2.gz PNMTUJNVBYIQJH-DYVFJYSZSA-N 2 0 345.422 1.658 20 0 EDADRP C[NH+](C)CCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000265392287 443626733 /nfs/dbraw/zinc/62/67/33/443626733.db2.gz MJYKSFBLZOHZFG-UHFFFAOYSA-N 2 0 346.475 1.331 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC000430929379 319935561 /nfs/dbraw/zinc/93/55/61/319935561.db2.gz WFQCOXGKXCHHBW-KRWDZBQOSA-N 2 0 344.503 1.390 20 0 EDADRP CC(C)n1nccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000279911932 443640389 /nfs/dbraw/zinc/64/03/89/443640389.db2.gz LYXMVAVJLPLIOL-UHFFFAOYSA-N 2 0 328.464 1.901 20 0 EDADRP C[C@@H]1[NH2+]CCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000436068471 320018421 /nfs/dbraw/zinc/01/84/21/320018421.db2.gz WDVBLJLKTGMICU-IRXDYDNUSA-N 2 0 344.503 1.581 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](C)CC1 ZINC000439004346 320038208 /nfs/dbraw/zinc/03/82/08/320038208.db2.gz PXZKKEXJIUJXPO-HUUCEWRRSA-N 2 0 348.491 1.940 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000444271957 320124204 /nfs/dbraw/zinc/12/42/04/320124204.db2.gz UWCAZJZDKFYBMY-UYAOXDASSA-N 2 0 342.487 1.762 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000452389916 320249109 /nfs/dbraw/zinc/24/91/09/320249109.db2.gz NBVXURYSIGSCJN-MRXNPFEDSA-N 2 0 349.475 1.204 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCN2CCC([NH+](C)C)CC2)C1 ZINC000458596592 320337741 /nfs/dbraw/zinc/33/77/41/320337741.db2.gz OFPGSSHPCXRLOD-KRWDZBQOSA-N 2 0 339.528 1.137 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458787251 320341312 /nfs/dbraw/zinc/34/13/12/320341312.db2.gz MNRBNFXMZXMMAA-CVEARBPZSA-N 2 0 328.501 1.253 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000458791360 320341582 /nfs/dbraw/zinc/34/15/82/320341582.db2.gz PHTHFYSWBWFMKZ-HNNXBMFYSA-N 2 0 342.553 1.940 20 0 EDADRP COc1ccccc1-c1ncc(C[NH2+]CC2(O)CC[NH+](C)CC2)cn1 ZINC000491376742 320369687 /nfs/dbraw/zinc/36/96/87/320369687.db2.gz RQVVUHHDJXULOC-UHFFFAOYSA-N 2 0 342.443 1.699 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000276690167 443792761 /nfs/dbraw/zinc/79/27/61/443792761.db2.gz URQFHESUTLOKPF-UHFFFAOYSA-N 2 0 331.460 1.217 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000292103837 443777081 /nfs/dbraw/zinc/77/70/81/443777081.db2.gz VQNODZUFBPNYKG-WMLDXEAASA-N 2 0 327.432 1.882 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1COCC[NH2+]1 ZINC000529288408 320572051 /nfs/dbraw/zinc/57/20/51/320572051.db2.gz DOVYSCGHVDIFCW-SFHVURJKSA-N 2 0 346.475 1.460 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000529909893 320600092 /nfs/dbraw/zinc/60/00/92/320600092.db2.gz QLPNCWQYEIRICO-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP COCc1ccccc1CNC(=O)CN(C)CCC[NH+]1CCCC1 ZINC000281268665 443863962 /nfs/dbraw/zinc/86/39/62/443863962.db2.gz HWVAYWRQOUKERR-UHFFFAOYSA-N 2 0 333.476 1.867 20 0 EDADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)NC(=O)NCc1ccccc1 ZINC000281511669 443931354 /nfs/dbraw/zinc/93/13/54/443931354.db2.gz YSWXHFSNEXWNFE-UHFFFAOYSA-N 2 0 346.475 1.820 20 0 EDADRP Cc1c(CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)cnn1C ZINC000560021201 321017610 /nfs/dbraw/zinc/01/76/10/321017610.db2.gz ZRRYKQOIXVDYCU-UHFFFAOYSA-N 2 0 347.507 1.338 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000561280092 321038995 /nfs/dbraw/zinc/03/89/95/321038995.db2.gz DIXGRDDVTLGMSR-MJGOQNOKSA-N 2 0 331.460 1.521 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCc3cnc4n3CCCC4)C2)C1 ZINC000562671543 321068479 /nfs/dbraw/zinc/06/84/79/321068479.db2.gz BYGPSMJDRYBDNU-GOSISDBHSA-N 2 0 331.464 1.847 20 0 EDADRP COc1ccc2ccccc2c1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000562987273 321085294 /nfs/dbraw/zinc/08/52/94/321085294.db2.gz XAXMZGCSJFKFFG-KRWDZBQOSA-N 2 0 343.471 1.546 20 0 EDADRP C[NH+](C)CCn1c2cc(NC[C@H](O)C[N@H+](C)C3CC3)ccc2oc1=O ZINC000564863130 321153074 /nfs/dbraw/zinc/15/30/74/321153074.db2.gz IFNKGTOIWRHARO-HNNXBMFYSA-N 2 0 348.447 1.023 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000564950418 321159353 /nfs/dbraw/zinc/15/93/53/321159353.db2.gz ANGYHDMDNQZVSP-UHFFFAOYSA-N 2 0 333.480 1.582 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)C1 ZINC000565226938 321176728 /nfs/dbraw/zinc/17/67/28/321176728.db2.gz PKRKFAKANUVILH-YJBOKZPZSA-N 2 0 330.476 1.949 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CCC([NH2+]CCOC)CC2)CC1 ZINC000565545263 321191078 /nfs/dbraw/zinc/19/10/78/321191078.db2.gz ZGMLYPTUHGWUCO-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000565881413 321204656 /nfs/dbraw/zinc/20/46/56/321204656.db2.gz JUAMJNCJFSPTRS-MSOLQXFVSA-N 2 0 346.475 1.329 20 0 EDADRP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000567471470 321242638 /nfs/dbraw/zinc/24/26/38/321242638.db2.gz NNQNYNUKDBJSQU-LSDHHAIUSA-N 2 0 348.491 1.385 20 0 EDADRP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CCC(N)=O)CC1 ZINC000567689570 321252788 /nfs/dbraw/zinc/25/27/88/321252788.db2.gz MLWQWWNDCBSUQM-UHFFFAOYSA-N 2 0 344.381 1.422 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3(O)CCCC3)c2)C1 ZINC000567692473 321253238 /nfs/dbraw/zinc/25/32/38/321253238.db2.gz UULWZXSSHQAZSW-GOSISDBHSA-N 2 0 345.487 1.779 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000567806491 321259042 /nfs/dbraw/zinc/25/90/42/321259042.db2.gz OHMCTAPKTSSKFX-YJBOKZPZSA-N 2 0 346.475 1.249 20 0 EDADRP CCOCc1ccc(CNC(=O)CN2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567889692 321265766 /nfs/dbraw/zinc/26/57/66/321265766.db2.gz JZRKSWGYWAPUBU-HXUWFJFHSA-N 2 0 345.487 1.915 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000568183978 321278955 /nfs/dbraw/zinc/27/89/55/321278955.db2.gz HXJOBEVMTDBPRO-QGZVFWFLSA-N 2 0 341.459 1.449 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000568382011 321288916 /nfs/dbraw/zinc/28/89/16/321288916.db2.gz HUXYKKVBKCFION-SFHVURJKSA-N 2 0 327.513 1.311 20 0 EDADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000568987628 321313277 /nfs/dbraw/zinc/31/32/77/321313277.db2.gz GAGOUIMMDJOCIJ-HNNXBMFYSA-N 2 0 335.448 1.046 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])C1 ZINC000569927878 321332152 /nfs/dbraw/zinc/33/21/52/321332152.db2.gz OQVIIXCCVBISDG-RRFJBIMHSA-N 2 0 340.512 1.245 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000570616761 321350043 /nfs/dbraw/zinc/35/00/43/321350043.db2.gz HKEBMVUXHZKKAO-HZPDHXFCSA-N 2 0 325.497 1.555 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000571676922 321397051 /nfs/dbraw/zinc/39/70/51/321397051.db2.gz RJMWHBOKKPBBLC-CXAGYDPISA-N 2 0 325.416 1.535 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000571743674 321399366 /nfs/dbraw/zinc/39/93/66/321399366.db2.gz MYHPZRVPXTZCNP-HZPDHXFCSA-N 2 0 348.495 1.831 20 0 EDADRP Cc1nccn1CCCCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294282308 444110486 /nfs/dbraw/zinc/11/04/86/444110486.db2.gz SCSRXTGJZHJTDH-UHFFFAOYSA-N 2 0 333.440 1.552 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCCC[C@@H]3CC[NH3+])c2)CC1 ZINC000285992033 444170908 /nfs/dbraw/zinc/17/09/08/444170908.db2.gz IEDIOUUMKAADHO-LJQANCHMSA-N 2 0 344.503 1.778 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000285834884 444124063 /nfs/dbraw/zinc/12/40/63/444124063.db2.gz VQUYLGQRCDIINU-ZWKOTPCHSA-N 2 0 331.460 1.345 20 0 EDADRP CCCN(C(=O)[C@@H](C[NH3+])OC)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000289903857 444217677 /nfs/dbraw/zinc/21/76/77/444217677.db2.gz JFTRSFOGIBEKFW-QZTJIDSGSA-N 2 0 333.476 1.863 20 0 EDADRP Cc1nc(C)c(C)c(N2CCC(CC(=O)N3CCN(C)CC3)CC2)n1 ZINC000301681736 444184961 /nfs/dbraw/zinc/18/49/61/444184961.db2.gz JYSSDDWTVZZXJZ-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP COc1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc(OC)c1O ZINC000289757394 444199454 /nfs/dbraw/zinc/19/94/54/444199454.db2.gz QEZXUSOADNUAKT-AWEZNQCLSA-N 2 0 337.464 1.525 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290311180 444265461 /nfs/dbraw/zinc/26/54/61/444265461.db2.gz GBDHZMSNQYGKKQ-OAHLLOKOSA-N 2 0 348.491 1.923 20 0 EDADRP CCC(C)(C)NC(=O)[C@@H](C)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303268822 444235656 /nfs/dbraw/zinc/23/56/56/444235656.db2.gz JBHXIKLMDLRQEV-LSDHHAIUSA-N 2 0 327.513 1.704 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@H](O)c3cccnc3)CC2)C[C@@H](C)O1 ZINC000297103849 444274770 /nfs/dbraw/zinc/27/47/70/444274770.db2.gz LIOVQGYTFNNXDO-MDZRGWNJSA-N 2 0 333.476 1.936 20 0 EDADRP CS(=O)(=O)[C@@H]1CCCC[C@H]1[NH2+]CCCC[N@@H+]1CCC[C@@H]1CO ZINC000305755174 444277778 /nfs/dbraw/zinc/27/77/78/444277778.db2.gz AKKZATGDOVVRCE-BZUAXINKSA-N 2 0 332.510 1.169 20 0 EDADRP C[NH+](C)C[C@](C)(O)CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000305832995 444282906 /nfs/dbraw/zinc/28/29/06/444282906.db2.gz FBJJRIIFFGGYGU-IYWMVGAKSA-N 2 0 331.504 1.799 20 0 EDADRP CCOC1CC(O)(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000578004849 321704918 /nfs/dbraw/zinc/70/49/18/321704918.db2.gz AVAYRFPNOHZSAL-CGKCLMIXSA-N 2 0 332.444 1.762 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CO2 ZINC000297826133 444339153 /nfs/dbraw/zinc/33/91/53/444339153.db2.gz RONHANIVYVGZMX-DLBZAZTESA-N 2 0 334.460 1.825 20 0 EDADRP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CN1C1CC1 ZINC000290836160 444328465 /nfs/dbraw/zinc/32/84/65/444328465.db2.gz YBJXMNMOADOGCT-UVBSCNOISA-N 2 0 349.500 1.926 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000340466134 444388893 /nfs/dbraw/zinc/38/88/93/444388893.db2.gz LQWMTAHMNPTLLU-IBGZPJMESA-N 2 0 342.491 1.464 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC000579609588 321953604 /nfs/dbraw/zinc/95/36/04/321953604.db2.gz CJDFVSPMMYOARC-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000331995062 444494329 /nfs/dbraw/zinc/49/43/29/444494329.db2.gz NBHBZZIHJPFUMW-SJORKVTESA-N 2 0 337.489 1.923 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000580711581 322085616 /nfs/dbraw/zinc/08/56/16/322085616.db2.gz IHJRLZBEKZSPRL-UHOSZYNNSA-N 2 0 344.503 1.479 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000580785613 322096159 /nfs/dbraw/zinc/09/61/59/322096159.db2.gz HTVHPJBNYMULTH-AWEZNQCLSA-N 2 0 342.447 1.192 20 0 EDADRP CCCOc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(C)c1 ZINC000580947886 322115851 /nfs/dbraw/zinc/11/58/51/322115851.db2.gz RXIUFKFYRSIKRP-SFHVURJKSA-N 2 0 335.492 1.482 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)CCCC[NH3+])cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000581308415 322162210 /nfs/dbraw/zinc/16/22/10/322162210.db2.gz MUGLZWFASDUUDO-QGZVFWFLSA-N 2 0 346.475 1.920 20 0 EDADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000329229824 444506903 /nfs/dbraw/zinc/50/69/03/444506903.db2.gz JOGQNYPWZPGVFW-GOSISDBHSA-N 2 0 342.447 1.390 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)CN2CCOCC2)CC1 ZINC000340878974 444555811 /nfs/dbraw/zinc/55/58/11/444555811.db2.gz SYQNXTZTJPYEPJ-QGZVFWFLSA-N 2 0 327.513 1.530 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2CC[NH+](CCO)CC2)cc1 ZINC000338218233 444569300 /nfs/dbraw/zinc/56/93/00/444569300.db2.gz WLDXPKTVQCMOBJ-UHFFFAOYSA-N 2 0 347.503 1.963 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000333010892 444628529 /nfs/dbraw/zinc/62/85/29/444628529.db2.gz SCEOCOMDHTVDNB-FGTMMUONSA-N 2 0 335.492 1.497 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[N@@H+]1C ZINC000343823108 444611886 /nfs/dbraw/zinc/61/18/86/444611886.db2.gz SZWWIACZCNBNGC-VYDXJSESSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000333251546 444650698 /nfs/dbraw/zinc/65/06/98/444650698.db2.gz GVZSJBSWTYZCQN-BFHYXJOUSA-N 2 0 343.518 1.489 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343920790 444670435 /nfs/dbraw/zinc/67/04/35/444670435.db2.gz ILQWYWQMGSAJKP-GGPKGHCWSA-N 2 0 347.503 1.384 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000341098235 444672991 /nfs/dbraw/zinc/67/29/91/444672991.db2.gz YRJCNDQZOJVUFS-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@H+](CCNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)C1CC1 ZINC000341105068 444676530 /nfs/dbraw/zinc/67/65/30/444676530.db2.gz FMOBZGJHJSTAGN-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H](C)CC[NH+](C)C)[NH+]1CCOCC1 ZINC000338331040 444637913 /nfs/dbraw/zinc/63/79/13/444637913.db2.gz VHHCCGIIOCHDBO-WBVHZDCISA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H](C)C[NH2+]1 ZINC000333660427 444689008 /nfs/dbraw/zinc/68/90/08/444689008.db2.gz LMAANGNMDZYWFW-YQYZPQCESA-N 2 0 348.466 1.911 20 0 EDADRP Cc1ccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c(-c2ccnn2C)c1 ZINC000338438553 444696104 /nfs/dbraw/zinc/69/61/04/444696104.db2.gz RHXOTDOLPGXMMX-KRWDZBQOSA-N 2 0 328.460 1.942 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C[NH+](C)[C@@H]1CCSC1 ZINC000344055239 444752932 /nfs/dbraw/zinc/75/29/32/444752932.db2.gz GTERGAOURVNADL-OAHLLOKOSA-N 2 0 339.505 1.997 20 0 EDADRP CCc1nccn1[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000334078132 444772028 /nfs/dbraw/zinc/77/20/28/444772028.db2.gz KNQIJDFYBDHSOO-MRXNPFEDSA-N 2 0 349.479 1.514 20 0 EDADRP COC(=O)[C@](C)(O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336719756 444796378 /nfs/dbraw/zinc/79/63/78/444796378.db2.gz RTWBHQMOHHFQTK-ZHALLVOQSA-N 2 0 332.444 1.364 20 0 EDADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)[C@H]2CCCO[C@H]21 ZINC000344128799 444797316 /nfs/dbraw/zinc/79/73/16/444797316.db2.gz IWFRDJFRSRETCZ-KZNAEPCWSA-N 2 0 339.524 1.170 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000336873444 444818073 /nfs/dbraw/zinc/81/80/73/444818073.db2.gz TUMCDTITLCZJDX-KRWDZBQOSA-N 2 0 328.497 1.597 20 0 EDADRP CCC1(CC)[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C[C@@H]1OC ZINC000344178712 444824009 /nfs/dbraw/zinc/82/40/09/444824009.db2.gz VTIFNSMSXCEILW-XHSDSOJGSA-N 2 0 325.497 1.757 20 0 EDADRP c1csc(-c2noc(CCC[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000336879275 444825624 /nfs/dbraw/zinc/82/56/24/444825624.db2.gz LVQIGWNSXLBRCB-CQSZACIVSA-N 2 0 347.488 1.710 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000344237061 444856145 /nfs/dbraw/zinc/85/61/45/444856145.db2.gz NVHHESUOQXFTSI-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)C(C)C ZINC000338803501 444859629 /nfs/dbraw/zinc/85/96/29/444859629.db2.gz QSMZUTCEQFIKMS-HOTGVXAUSA-N 2 0 328.501 1.515 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH+](C(C)C)CC2)CC1 ZINC000341569039 444899756 /nfs/dbraw/zinc/89/97/56/444899756.db2.gz XVBTZUQYVIVUSX-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CC[NH3+])cc1 ZINC000342898558 444928001 /nfs/dbraw/zinc/92/80/01/444928001.db2.gz BRTFCLXRYXVZEA-OAHLLOKOSA-N 2 0 325.478 1.640 20 0 EDADRP CC(C)[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+]1CCCCC1 ZINC000342949188 444959852 /nfs/dbraw/zinc/95/98/52/444959852.db2.gz BWAUONCEXMJLLS-ROUUACIJSA-N 2 0 339.524 1.850 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000344447764 444978308 /nfs/dbraw/zinc/97/83/08/444978308.db2.gz SQACFNDUCJBXLR-IRXDYDNUSA-N 2 0 347.507 1.446 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000341917879 445072010 /nfs/dbraw/zinc/07/20/10/445072010.db2.gz FPUSNUJTALZGSK-AOIWGVFYSA-N 2 0 345.487 1.906 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000339410879 445136546 /nfs/dbraw/zinc/13/65/46/445136546.db2.gz YNWFOINZARZFAZ-KRWDZBQOSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1ccsc1 ZINC000343192212 445125828 /nfs/dbraw/zinc/12/58/28/445125828.db2.gz SWADPKKDGSISFP-KBPBESRZSA-N 2 0 327.519 1.904 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC000344684951 445127279 /nfs/dbraw/zinc/12/72/79/445127279.db2.gz AUALCBJTGDFNLO-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP OC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CO)CC2)CC1 ZINC000339755288 445166642 /nfs/dbraw/zinc/16/66/42/445166642.db2.gz XDOKRADYJNBRLF-QZTJIDSGSA-N 2 0 328.497 1.192 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000343265660 445168507 /nfs/dbraw/zinc/16/85/07/445168507.db2.gz FCLLBKFNFKIFGM-WMZOPIPTSA-N 2 0 344.503 1.622 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000342097207 445170533 /nfs/dbraw/zinc/17/05/33/445170533.db2.gz SLJDCEVGMGCZKH-CRAIPNDOSA-N 2 0 330.476 1.570 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342116759 445180667 /nfs/dbraw/zinc/18/06/67/445180667.db2.gz YQXFDBIRBSEJDZ-CWRNSKLLSA-N 2 0 330.432 1.173 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342116613 445181414 /nfs/dbraw/zinc/18/14/14/445181414.db2.gz YDBJQDAIWBAEHU-XIRDDKMYSA-N 2 0 331.460 1.713 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000339550138 445149149 /nfs/dbraw/zinc/14/91/49/445149149.db2.gz ZOOVXCVQXOGVJJ-OIISXLGYSA-N 2 0 334.508 1.985 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000339582065 445151101 /nfs/dbraw/zinc/15/11/01/445151101.db2.gz NNYTYAIRUGTJIM-YJBOKZPZSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000354529290 445281308 /nfs/dbraw/zinc/28/13/08/445281308.db2.gz FELZRDGWQCLBNA-HUUCEWRRSA-N 2 0 333.480 1.856 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348840593 445409806 /nfs/dbraw/zinc/40/98/06/445409806.db2.gz IMXSFCJQRALTNY-LJQANCHMSA-N 2 0 345.487 1.350 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)CC1 ZINC000348850871 445415509 /nfs/dbraw/zinc/41/55/09/445415509.db2.gz WCHWSIDIVJMTSO-QGZVFWFLSA-N 2 0 334.508 1.099 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NCCc1ccc(F)cc1 ZINC000357089228 445420835 /nfs/dbraw/zinc/42/08/35/445420835.db2.gz YRQZFKPZTIQWEP-QGZVFWFLSA-N 2 0 333.451 1.806 20 0 EDADRP COCCN(C)c1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000357046085 445392405 /nfs/dbraw/zinc/39/24/05/445392405.db2.gz IJXAAJZCCLYCGC-GOSISDBHSA-N 2 0 332.492 1.986 20 0 EDADRP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOCC[NH3+])C2)cc1 ZINC000357110467 445434246 /nfs/dbraw/zinc/43/42/46/445434246.db2.gz XLWONDCJINXYEH-MRXNPFEDSA-N 2 0 334.464 1.804 20 0 EDADRP Cc1cnc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000355832100 445498961 /nfs/dbraw/zinc/49/89/61/445498961.db2.gz RCMJCNQWDUGYII-UHFFFAOYSA-N 2 0 344.419 1.712 20 0 EDADRP O=C(N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357236965 445499268 /nfs/dbraw/zinc/49/92/68/445499268.db2.gz DOESCVVFWZSVGB-LMMKCTJWSA-N 2 0 335.492 1.337 20 0 EDADRP CC[C@H](C(=O)N1CCC[NH+]([C@@H](C)CO)CC1)[N@H+](C)Cc1ccccc1 ZINC000355974210 445552056 /nfs/dbraw/zinc/55/20/56/445552056.db2.gz SWXQIWHKIZEPDM-PKOBYXMFSA-N 2 0 347.503 1.812 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)C1 ZINC000362923135 445611693 /nfs/dbraw/zinc/61/16/93/445611693.db2.gz QRUXYLCXKPAXQX-AWEZNQCLSA-N 2 0 332.423 1.984 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000358277700 445615533 /nfs/dbraw/zinc/61/55/33/445615533.db2.gz PZLBUBPBGAMXLE-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000358515739 445627872 /nfs/dbraw/zinc/62/78/72/445627872.db2.gz AUVLPOAPLMBFBG-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000358533672 445638394 /nfs/dbraw/zinc/63/83/94/445638394.db2.gz YQGVNOJUHVADKO-JZXOWHBKSA-N 2 0 327.513 1.120 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353430124 445598377 /nfs/dbraw/zinc/59/83/77/445598377.db2.gz RBWRCAWPRSDXIG-CVEARBPZSA-N 2 0 325.497 1.626 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)C[C@@H]1CC ZINC000353431669 445598434 /nfs/dbraw/zinc/59/84/34/445598434.db2.gz RHYMQESSMKGGAD-GVDBMIGSSA-N 2 0 325.497 1.580 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)CCN1CCCS1(=O)=O ZINC000353552583 445653420 /nfs/dbraw/zinc/65/34/20/445653420.db2.gz ZDZUWBFVCNHJHY-UHFFFAOYSA-N 2 0 329.466 1.069 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000358691346 445719751 /nfs/dbraw/zinc/71/97/51/445719751.db2.gz YPJHNBITPRZXAR-HKUYNNGSSA-N 2 0 348.491 1.218 20 0 EDADRP CC(C)OCC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349851565 445699217 /nfs/dbraw/zinc/69/92/17/445699217.db2.gz HPLUNODISZZKKD-FUHWJXTLSA-N 2 0 327.513 1.263 20 0 EDADRP COc1cc2c(cc1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1)OCO2 ZINC000349854740 445699377 /nfs/dbraw/zinc/69/93/77/445699377.db2.gz VOUCWLZXCRTLME-UHFFFAOYSA-N 2 0 349.475 1.930 20 0 EDADRP COc1cccc(C[C@@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)n1 ZINC000353668461 445699608 /nfs/dbraw/zinc/69/96/08/445699608.db2.gz GFVRALITSKEYMV-MRXNPFEDSA-N 2 0 348.491 1.603 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCN2C(=O)CNC2=O)CC1)CC(C)C ZINC000358737512 445750946 /nfs/dbraw/zinc/75/09/46/445750946.db2.gz ASKDWEZGLSLCFB-UHFFFAOYSA-N 2 0 338.496 1.618 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]CCC(C)(C)C(=O)OC)cn2)CC1 ZINC000353935280 445817399 /nfs/dbraw/zinc/81/73/99/445817399.db2.gz VUACWBBOXJJOPH-UHFFFAOYSA-N 2 0 348.491 1.902 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC2(O)CCOCC2)[C@@H](C)C1 ZINC000353904631 445806881 /nfs/dbraw/zinc/80/68/81/445806881.db2.gz AXERHNXGDOQOFX-DLBZAZTESA-N 2 0 328.497 1.645 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000361622350 445852325 /nfs/dbraw/zinc/85/23/25/445852325.db2.gz KKIZVOXGXJAIJF-PMPSAXMXSA-N 2 0 325.522 1.899 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363556645 445857140 /nfs/dbraw/zinc/85/71/40/445857140.db2.gz CFJUNOSNIUCRCD-SFHVURJKSA-N 2 0 330.476 1.894 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000356577004 445868046 /nfs/dbraw/zinc/86/80/46/445868046.db2.gz JZXCGNSNKIDSIO-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000364578310 445933805 /nfs/dbraw/zinc/93/38/05/445933805.db2.gz WRVFMFSNGZTERK-YJBOKZPZSA-N 2 0 339.443 1.965 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000364334865 445910731 /nfs/dbraw/zinc/91/07/31/445910731.db2.gz CNRQNETYUZAGLG-RBSFLKMASA-N 2 0 333.436 1.510 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000361802744 445958453 /nfs/dbraw/zinc/95/84/53/445958453.db2.gz BINGOCWLGLVFRJ-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000369165111 445964654 /nfs/dbraw/zinc/96/46/54/445964654.db2.gz NMWWBEXRWWBYJS-MRXNPFEDSA-N 2 0 329.510 1.362 20 0 EDADRP CCCCOC[C@H](O)C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366108668 446017599 /nfs/dbraw/zinc/01/75/99/446017599.db2.gz MSYOKRZJAQLOBA-QZTJIDSGSA-N 2 0 327.513 1.264 20 0 EDADRP [NH3+][C@H]1C[C@@H](C(=O)NCCCOC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000582907467 325956913 /nfs/dbraw/zinc/95/69/13/325956913.db2.gz HXSQQFHMPZTGKV-HDICACEKSA-N 2 0 345.487 1.911 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)[C@H]2C1 ZINC000373120525 446043560 /nfs/dbraw/zinc/04/35/60/446043560.db2.gz GGHCVWBJVBQFOA-IRXDYDNUSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[C@H](C(=O)NCc1cccnc1N1CC[NH+](C)CC1)[C@H](C)[NH3+] ZINC000583378792 326061688 /nfs/dbraw/zinc/06/16/88/326061688.db2.gz MPZZISVTWMNFDY-HOCLYGCPSA-N 2 0 333.480 1.069 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000583380340 326062346 /nfs/dbraw/zinc/06/23/46/326062346.db2.gz BYJREZKXQRSRQL-INIZCTEOSA-N 2 0 346.479 1.053 20 0 EDADRP CO[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C[NH3+])C1 ZINC000359229044 446059097 /nfs/dbraw/zinc/05/90/97/446059097.db2.gz HOUHRTRHJQROON-QZTJIDSGSA-N 2 0 331.460 1.861 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000583870936 326156648 /nfs/dbraw/zinc/15/66/48/326156648.db2.gz ASXYPQYBKQTKBY-NVXWUHKLSA-N 2 0 328.416 1.693 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC12CCOCC2 ZINC000584291073 326237093 /nfs/dbraw/zinc/23/70/93/326237093.db2.gz XOPDBKIOUSPBBS-IRXDYDNUSA-N 2 0 331.460 1.681 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000359251051 446084888 /nfs/dbraw/zinc/08/48/88/446084888.db2.gz MAXLUXHRPUYNLA-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000369654412 446139113 /nfs/dbraw/zinc/13/91/13/446139113.db2.gz LIVCSTXTOOFYHB-GDBMZVCRSA-N 2 0 348.495 2.000 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000369402804 446117265 /nfs/dbraw/zinc/11/72/65/446117265.db2.gz SLPXWHAEVHFPKM-LTIDMASMSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351567923 446165535 /nfs/dbraw/zinc/16/55/35/446165535.db2.gz LOZOFYXQMDNLOQ-AWEZNQCLSA-N 2 0 327.494 1.757 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000362002438 446143728 /nfs/dbraw/zinc/14/37/28/446143728.db2.gz IQGCRKLEXDWAAQ-QGZVFWFLSA-N 2 0 328.497 1.454 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC([NH+]3CCCCC3)C2)CCOCC1 ZINC000366320729 446149472 /nfs/dbraw/zinc/14/94/72/446149472.db2.gz VTCVEAQGEPHHSY-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H](C)O1 ZINC000366331435 446157828 /nfs/dbraw/zinc/15/78/28/446157828.db2.gz HQTDFGRHHJPTBY-HUUCEWRRSA-N 2 0 331.460 1.098 20 0 EDADRP C[C@H]1C[N@H+](Cc2cccc(C[NH+]3C[C@@H](C)[C@H](CO)C3)c2)C[C@@H]1CO ZINC000362074933 446195301 /nfs/dbraw/zinc/19/53/01/446195301.db2.gz HCPJAQPYWMIGPI-OBMJPTGESA-N 2 0 332.488 1.807 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO ZINC000370300123 446221314 /nfs/dbraw/zinc/22/13/14/446221314.db2.gz NJEGWTSKKPQAFO-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H](C)[NH+]1CCO ZINC000373550431 446257666 /nfs/dbraw/zinc/25/76/66/446257666.db2.gz VMUUPXCZMFGKCR-NUWOQIAWSA-N 2 0 338.496 1.100 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365659124 446290587 /nfs/dbraw/zinc/29/05/87/446290587.db2.gz AKGKMZXZWHVBFH-SFHVURJKSA-N 2 0 344.519 1.541 20 0 EDADRP COc1ccnc(CN2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1OC ZINC000366743657 446331829 /nfs/dbraw/zinc/33/18/29/446331829.db2.gz GYCLMANCLAVSFJ-INIZCTEOSA-N 2 0 348.491 1.699 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417328224 446344811 /nfs/dbraw/zinc/34/48/11/446344811.db2.gz IFHNACZDOZDBSL-KRWDZBQOSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000417370866 446350573 /nfs/dbraw/zinc/35/05/73/446350573.db2.gz USQRKVFNUXIRKI-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417500450 446355983 /nfs/dbraw/zinc/35/59/83/446355983.db2.gz INWOQVZJTKRGPO-ZWKOTPCHSA-N 2 0 332.492 1.834 20 0 EDADRP C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@H]1[NH3+] ZINC000417527979 446361344 /nfs/dbraw/zinc/36/13/44/446361344.db2.gz OQEZBZKAOQBSLH-WMLDXEAASA-N 2 0 334.464 1.158 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417562482 446365539 /nfs/dbraw/zinc/36/55/39/446365539.db2.gz FZCYTWYPNUCLGC-KRWDZBQOSA-N 2 0 340.512 1.709 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCCC1 ZINC000370675675 446382745 /nfs/dbraw/zinc/38/27/45/446382745.db2.gz DEGYIULTLOSJDM-AKHDSKFASA-N 2 0 339.524 1.312 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417917466 446385745 /nfs/dbraw/zinc/38/57/45/446385745.db2.gz WGUKGLGYRAQXEX-JKSUJKDBSA-N 2 0 340.512 1.571 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000418083061 446434050 /nfs/dbraw/zinc/43/40/50/446434050.db2.gz YZCJCAYPZIUIMN-GOEBONIOSA-N 2 0 336.505 1.641 20 0 EDADRP C[NH2+]C[C@H]1CCCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279884 446448311 /nfs/dbraw/zinc/44/83/11/446448311.db2.gz XQHRJRFDGLYOAW-AEFFLSMTSA-N 2 0 332.492 1.337 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982336 446406575 /nfs/dbraw/zinc/40/65/75/446406575.db2.gz AABYVMYMKLNHKW-LZLYRXPVSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982332 446407099 /nfs/dbraw/zinc/40/70/99/446407099.db2.gz AABYVMYMKLNHKW-JFIYKMOQSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417994768 446410103 /nfs/dbraw/zinc/41/01/03/446410103.db2.gz YZXGHHHCVOFNCB-TZMCWYRMSA-N 2 0 328.407 1.789 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000418008206 446413986 /nfs/dbraw/zinc/41/39/86/446413986.db2.gz GWOGXPHYBQLTQK-YSHGAJCASA-N 2 0 342.487 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418009184 446414542 /nfs/dbraw/zinc/41/45/42/446414542.db2.gz HVSHWWFTDDHKKI-UBDQQSCGSA-N 2 0 330.476 1.934 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000418029191 446420049 /nfs/dbraw/zinc/42/00/49/446420049.db2.gz ZEOHKPMBXUKYPF-HRCADAONSA-N 2 0 326.485 1.114 20 0 EDADRP [NH3+]C1(CNC(=O)NCCN2CCc3c(Cl)cccc3C2)CCC1 ZINC000418047532 446424664 /nfs/dbraw/zinc/42/46/64/446424664.db2.gz JJFOCZWYSVNSCT-UHFFFAOYSA-N 2 0 336.867 1.879 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000423211122 446454615 /nfs/dbraw/zinc/45/46/15/446454615.db2.gz YAPZNDWUSYAACF-SFHVURJKSA-N 3 0 330.520 1.577 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423220081 446455764 /nfs/dbraw/zinc/45/57/64/446455764.db2.gz XWQIDBVZOUXDNE-VXGBXAGGSA-N 2 0 328.254 1.589 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423219971 446456482 /nfs/dbraw/zinc/45/64/82/446456482.db2.gz XDTDIKUKBQHFMU-BKQLOGFTSA-N 2 0 340.265 1.872 20 0 EDADRP CSc1ccc([C@H](CNC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)[NH+](C)C)cc1 ZINC000418227923 446465140 /nfs/dbraw/zinc/46/51/40/446465140.db2.gz DDKYEKVNFCRLER-RCBQFDQVSA-N 2 0 336.505 2.000 20 0 EDADRP COC(=O)c1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302665 446465517 /nfs/dbraw/zinc/46/55/17/446465517.db2.gz BUHHEAIFDSTYOR-AWEZNQCLSA-N 2 0 333.432 1.781 20 0 EDADRP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420304917 446468332 /nfs/dbraw/zinc/46/83/32/446468332.db2.gz OXVUKLSYHQYNNU-INDMIFKZSA-N 2 0 348.487 1.169 20 0 EDADRP CCN(CC(=O)Nc1ccc(C(=O)OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420306971 446469286 /nfs/dbraw/zinc/46/92/86/446469286.db2.gz ICTVNRFWGOSPOF-MRXNPFEDSA-N 2 0 333.432 1.876 20 0 EDADRP C[N@H+](CCN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000420311958 446475259 /nfs/dbraw/zinc/47/52/59/446475259.db2.gz HIMSPCBSIIGQST-LJQANCHMSA-N 2 0 330.520 1.736 20 0 EDADRP COC[C@@H]1C[NH+](CCC(C)CC[N@@H+]2CCO[C@H](COC)C2)CCO1 ZINC000411302222 446479809 /nfs/dbraw/zinc/47/98/09/446479809.db2.gz ATIDDQIDHQXJKX-ROUUACIJSA-N 2 0 344.496 1.097 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000423302618 446479916 /nfs/dbraw/zinc/47/99/16/446479916.db2.gz VWVBPJIEJULEIC-RDJZCZTQSA-N 2 0 341.459 1.909 20 0 EDADRP Cc1nc2c(cnn2C)c(N2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)n1 ZINC000420317384 446483807 /nfs/dbraw/zinc/48/38/07/446483807.db2.gz MWZSMPUCNYLALT-OAHLLOKOSA-N 2 0 343.479 1.183 20 0 EDADRP Cc1cccc(NC(=O)NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420324639 446491758 /nfs/dbraw/zinc/49/17/58/446491758.db2.gz AVUGIYGICDRKKC-IYBDPMFKSA-N 2 0 344.459 1.883 20 0 EDADRP COC[C@H](CCC[NH3+])N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362448 446502184 /nfs/dbraw/zinc/50/21/84/446502184.db2.gz HVSHOKBJBDRJJL-GRDNDAEWSA-N 3 0 327.419 1.754 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336765 446506251 /nfs/dbraw/zinc/50/62/51/446506251.db2.gz WGVZKWPIHWYKKH-DLBZAZTESA-N 3 0 333.476 1.425 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)n1 ZINC000420335639 446506388 /nfs/dbraw/zinc/50/63/88/446506388.db2.gz KRORUGKBZBGXFT-HOTGVXAUSA-N 2 0 331.464 1.380 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2[NH2+]CC[C@H]2C1)c1ccccc1 ZINC000420341862 446514228 /nfs/dbraw/zinc/51/42/28/446514228.db2.gz QLXNFLRYLIIHGL-RCCFBDPRSA-N 2 0 330.476 1.089 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)Nc2cccc(F)c2)CC12CCOCC2 ZINC000420328374 446497391 /nfs/dbraw/zinc/49/73/91/446497391.db2.gz MIFJKGNEDMUIAP-CQSZACIVSA-N 2 0 335.423 1.842 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420388118 446562210 /nfs/dbraw/zinc/56/22/10/446562210.db2.gz WQQHGGPTYZGFBG-XIRDDKMYSA-N 2 0 325.497 1.900 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418487778 446562718 /nfs/dbraw/zinc/56/27/18/446562718.db2.gz JFAFJXHKRGSSIO-YKDOHLLJSA-N 2 0 338.496 1.038 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000418368558 446517144 /nfs/dbraw/zinc/51/71/44/446517144.db2.gz MVNYEDJAWVOWGS-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344047 446517356 /nfs/dbraw/zinc/51/73/56/446517356.db2.gz RUWVWVASAFOYBT-JKSUJKDBSA-N 2 0 344.459 1.905 20 0 EDADRP O=C(NC[C@@H]1C[C@H](O)C[N@H+]1Cc1ccccc1)N[C@H]1CCCC[NH2+]C1 ZINC000418370550 446518280 /nfs/dbraw/zinc/51/82/80/446518280.db2.gz PSAHKUIFJKWPCU-BZSNNMDCSA-N 2 0 346.475 1.063 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000367199481 446522102 /nfs/dbraw/zinc/52/21/02/446522102.db2.gz KLYDDRQPPJYDHD-KRWDZBQOSA-N 2 0 345.491 1.723 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418388124 446524157 /nfs/dbraw/zinc/52/41/57/446524157.db2.gz POLKZWWFTQVAKB-IRXDYDNUSA-N 2 0 333.480 1.528 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccccc1Br)C[C@H](O)C[NH3+] ZINC000420348763 446525987 /nfs/dbraw/zinc/52/59/87/446525987.db2.gz AVPGPOXLOBDCNK-SNVBAGLBSA-N 2 0 330.226 1.029 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000423427985 446532912 /nfs/dbraw/zinc/53/29/12/446532912.db2.gz RASRJCOTNBRCPC-SLEUVZQESA-N 2 0 339.461 1.138 20 0 EDADRP COC[C@@]1(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC[NH2+]C1 ZINC000423430499 446534817 /nfs/dbraw/zinc/53/48/17/446534817.db2.gz MTGJCEVEONXNHI-GOSISDBHSA-N 2 0 325.497 1.487 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1Cc1ccccc1 ZINC000423434988 446536519 /nfs/dbraw/zinc/53/65/19/446536519.db2.gz KZIUAIJSNHUNLW-ZBFHGGJFSA-N 2 0 342.447 1.020 20 0 EDADRP COC(=O)c1ccc(N2CC[N@H+](CC[C@@H]3CC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000420357977 446538521 /nfs/dbraw/zinc/53/85/21/446538521.db2.gz IJXPECDPUCXDPA-HOTGVXAUSA-N 2 0 331.460 1.983 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418420279 446538624 /nfs/dbraw/zinc/53/86/24/446538624.db2.gz YZOWMLPTYAVLNX-VXLLPVPCSA-N 2 0 337.512 1.020 20 0 EDADRP NC(=O)C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)C1CCCCC1 ZINC000433164934 446540275 /nfs/dbraw/zinc/54/02/75/446540275.db2.gz GPWCFJJKIWITRZ-MRXNPFEDSA-N 2 0 338.496 1.130 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000418451650 446546801 /nfs/dbraw/zinc/54/68/01/446546801.db2.gz WIYBRJPMCNTCTJ-BPQIPLTHSA-N 2 0 348.491 1.813 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCNCC2(F)F)CC[NH2+]CC1 ZINC000423474072 446550223 /nfs/dbraw/zinc/55/02/23/446550223.db2.gz JHTOLXAPAVZIRO-QWHCGFSZSA-N 3 0 333.423 1.142 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000418609680 446614148 /nfs/dbraw/zinc/61/41/48/446614148.db2.gz CQCQVPVOIDJCIY-HNNXBMFYSA-N 2 0 326.485 1.038 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418610569 446614917 /nfs/dbraw/zinc/61/49/17/446614917.db2.gz AKNHKAOTVNJJQJ-QGZVFWFLSA-N 2 0 347.507 1.054 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000420439816 446615466 /nfs/dbraw/zinc/61/54/66/446615466.db2.gz GKIJIYNFTHRBCT-ZDUSSCGKSA-N 2 0 333.404 1.024 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418617111 446617495 /nfs/dbraw/zinc/61/74/95/446617495.db2.gz ZFHBKJJEXRJYJL-KMFMINBZSA-N 2 0 334.464 1.738 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000376632368 446618213 /nfs/dbraw/zinc/61/82/13/446618213.db2.gz MCJILUOEWDVIMQ-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@@H]([NH3+])C2CC2)c1 ZINC000418501515 446569151 /nfs/dbraw/zinc/56/91/51/446569151.db2.gz RKZSRWRQUQCWMT-QGZVFWFLSA-N 2 0 334.464 1.506 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000418513544 446574189 /nfs/dbraw/zinc/57/41/89/446574189.db2.gz GFGAHMRUMQBBHJ-QGZVFWFLSA-N 2 0 348.491 1.987 20 0 EDADRP CC1(C)CN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418512481 446575219 /nfs/dbraw/zinc/57/52/19/446575219.db2.gz FOVQVPANEUUAAQ-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NC1CC[NH+](C2CC2)CC1 ZINC000420406535 446580158 /nfs/dbraw/zinc/58/01/58/446580158.db2.gz UMXRSDJOKFKZNQ-MAUKXSAKSA-N 2 0 334.508 1.193 20 0 EDADRP Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405979 446580682 /nfs/dbraw/zinc/58/06/82/446580682.db2.gz QFRBQHOJRBAGMD-RBUKOAKNSA-N 2 0 342.487 1.758 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529362 446582107 /nfs/dbraw/zinc/58/21/07/446582107.db2.gz TXCRPLCWDHBGBX-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412183 446586171 /nfs/dbraw/zinc/58/61/71/446586171.db2.gz SFAGLULTZJMERI-TUFLPTIASA-N 2 0 339.483 1.952 20 0 EDADRP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C[NH2+]1 ZINC000420412416 446586567 /nfs/dbraw/zinc/58/65/67/446586567.db2.gz ZBSCGBAMSWTJLO-IAGOWNOFSA-N 2 0 344.503 1.581 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418555163 446592791 /nfs/dbraw/zinc/59/27/91/446592791.db2.gz VZQPZJANWNGUSY-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418578367 446602634 /nfs/dbraw/zinc/60/26/34/446602634.db2.gz VNRFHTIQIVMOPJ-SIUPPRGNSA-N 2 0 348.466 1.959 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@H]1CC ZINC000418591892 446606182 /nfs/dbraw/zinc/60/61/82/446606182.db2.gz KUYGEKHVGRYJEH-ARFHVFGLSA-N 2 0 326.485 1.127 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000418659386 446639258 /nfs/dbraw/zinc/63/92/58/446639258.db2.gz XHXJJRJPAUJDNC-WMZOPIPTSA-N 2 0 348.491 1.395 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCC1Cc2ccccc2C1 ZINC000420465691 446643149 /nfs/dbraw/zinc/64/31/49/446643149.db2.gz ZAJYAZGRPYYMSH-UHFFFAOYSA-N 2 0 339.505 1.121 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376678100 446646615 /nfs/dbraw/zinc/64/66/15/446646615.db2.gz GWTAMDPAFFPBJD-KSZLIROESA-N 2 0 345.491 1.858 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]C1 ZINC000376695864 446657221 /nfs/dbraw/zinc/65/72/21/446657221.db2.gz RKWCDMTWBYTFOY-XJKSGUPXSA-N 2 0 325.478 1.483 20 0 EDADRP COc1cc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000375243786 446667407 /nfs/dbraw/zinc/66/74/07/446667407.db2.gz ATXSHGAMCIBIIA-UHFFFAOYSA-N 2 0 332.492 1.940 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418633314 446625308 /nfs/dbraw/zinc/62/53/08/446625308.db2.gz DDEGLKIMROWEBS-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CNC(=O)NC(=O)CN1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371096685 446626046 /nfs/dbraw/zinc/62/60/46/446626046.db2.gz BBDXEOGVTVZYOG-MRXNPFEDSA-N 2 0 332.448 1.429 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@H]1CC12C[NH2+]C2 ZINC000376655594 446631321 /nfs/dbraw/zinc/63/13/21/446631321.db2.gz GWMICGGQSVVWDK-CQSZACIVSA-N 2 0 329.400 1.143 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000423755365 446685794 /nfs/dbraw/zinc/68/57/94/446685794.db2.gz HPXZOMVZSKQGJD-HZPDHXFCSA-N 2 0 339.480 1.285 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423755642 446685915 /nfs/dbraw/zinc/68/59/15/446685915.db2.gz KCPXLWPTNPCLAZ-XVLXNVKGSA-N 2 0 348.535 1.536 20 0 EDADRP Cc1ccnc(NC[C@@H]2CC[N@H+](CC3CCS(=O)(=O)CC3)C2)c1 ZINC000371205329 446689092 /nfs/dbraw/zinc/68/90/92/446689092.db2.gz QVKANAOXRDOZCU-INIZCTEOSA-N 2 0 337.489 1.949 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423830437 446719713 /nfs/dbraw/zinc/71/97/13/446719713.db2.gz ASMMXPDKNXQVLI-GOEBONIOSA-N 2 0 341.459 1.737 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423833574 446720798 /nfs/dbraw/zinc/72/07/98/446720798.db2.gz TUKBGAPTNLEGIU-FHLIZLRMSA-N 2 0 329.444 1.699 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000418820677 446726499 /nfs/dbraw/zinc/72/64/99/446726499.db2.gz PQDGRIYWWCDMRI-ULQDDVLXSA-N 2 0 346.475 1.100 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371271403 446730391 /nfs/dbraw/zinc/73/03/91/446730391.db2.gz QIVWNDVUZCQKFK-QYZOEREBSA-N 2 0 343.471 1.630 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000371290565 446748668 /nfs/dbraw/zinc/74/86/68/446748668.db2.gz DEHRCIXYKSZPOP-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP COC(=O)CCN1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000423905815 446755914 /nfs/dbraw/zinc/75/59/14/446755914.db2.gz ZLKUUYBCFANKLV-GDBMZVCRSA-N 2 0 339.480 1.380 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CCC[N@@H+]1C ZINC000423930105 446782228 /nfs/dbraw/zinc/78/22/28/446782228.db2.gz JTCILMMORKNMAT-MGTHKWJCSA-N 2 0 347.507 1.827 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418838134 446743066 /nfs/dbraw/zinc/74/30/66/446743066.db2.gz BQPYGLLRLMAWPH-INIZCTEOSA-N 2 0 346.475 1.011 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NC1CCC([NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000418957348 446826974 /nfs/dbraw/zinc/82/69/74/446826974.db2.gz DNNCTTICLVMDMX-OOHWJJMZSA-N 2 0 346.475 1.009 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000454284454 446833830 /nfs/dbraw/zinc/83/38/30/446833830.db2.gz YKZMTFOXZWUZCR-QGZVFWFLSA-N 2 0 334.464 1.717 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000440199587 446837804 /nfs/dbraw/zinc/83/78/04/446837804.db2.gz IRHWCIQFLIIBDE-UHFFFAOYSA-N 2 0 341.544 1.386 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)[C@H](C)C1 ZINC000376980860 446837997 /nfs/dbraw/zinc/83/79/97/446837997.db2.gz URRZZNUULOEOCA-NUWOQIAWSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000420817228 446839706 /nfs/dbraw/zinc/83/97/06/446839706.db2.gz ZEYUIIURKHFMRN-ZBCRRDGASA-N 2 0 328.526 1.596 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419002292 446859060 /nfs/dbraw/zinc/85/90/60/446859060.db2.gz BWUSQGSEMLNSDT-QGZVFWFLSA-N 2 0 346.475 1.094 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)NCCC[NH+]2CCCCC2)CCCCCC1 ZINC000419006529 446860777 /nfs/dbraw/zinc/86/07/77/446860777.db2.gz SOXFGTWIBZSAOX-UHFFFAOYSA-N 2 0 338.496 1.147 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1nc(C)n2c1CCCC2 ZINC000371446523 446860997 /nfs/dbraw/zinc/86/09/97/446860997.db2.gz DYVZTVAPINYNAY-HNNXBMFYSA-N 2 0 349.479 1.438 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000442611590 446915632 /nfs/dbraw/zinc/91/56/32/446915632.db2.gz TWPXWECPDLPPFG-UHFFFAOYSA-N 2 0 341.544 1.242 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)NC2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000371692411 446948558 /nfs/dbraw/zinc/94/85/58/446948558.db2.gz JAZRUJHXRWYKPF-INIZCTEOSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1cccc(NC[C@@H]2CCCN2CC(=O)NC[C@H]2CCCO2)n1 ZINC000368570452 446949303 /nfs/dbraw/zinc/94/93/03/446949303.db2.gz UPRQTQIPWPOBMP-JKSUJKDBSA-N 2 0 332.448 1.562 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442767204 446959310 /nfs/dbraw/zinc/95/93/10/446959310.db2.gz YCYRFHHKZVUIOH-IKGGRYGDSA-N 2 0 330.476 1.393 20 0 EDADRP COCC[C@@]1(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CC[NH2+]C1 ZINC000372108483 447006029 /nfs/dbraw/zinc/00/60/29/447006029.db2.gz RDBLMONVRSVASC-SFHVURJKSA-N 2 0 337.439 1.520 20 0 EDADRP CN(CC[NH3+])C(=O)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000419197511 447006938 /nfs/dbraw/zinc/00/69/38/447006938.db2.gz BGJHFXVDXFVVSN-UHFFFAOYSA-N 2 0 346.475 1.096 20 0 EDADRP CC(C)n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000375746168 447018097 /nfs/dbraw/zinc/01/80/97/447018097.db2.gz XFAGZJSUBCXFCV-MQVJKMGUSA-N 2 0 333.480 1.637 20 0 EDADRP OCC[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](CCO)CC2)CC1 ZINC000421017462 446988737 /nfs/dbraw/zinc/98/87/37/446988737.db2.gz NGFPGIQRBUFRKZ-ROUUACIJSA-N 2 0 342.524 1.316 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@@H]1C[NH3+] ZINC000419175782 446990434 /nfs/dbraw/zinc/99/04/34/446990434.db2.gz YCDLVJQXPADMIS-HZPDHXFCSA-N 2 0 338.496 1.097 20 0 EDADRP COCCOc1ccc(CNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057583 447000069 /nfs/dbraw/zinc/00/00/69/447000069.db2.gz HDQHHLNFQSJTNU-QGZVFWFLSA-N 2 0 349.475 1.389 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000443058951 447000694 /nfs/dbraw/zinc/00/06/94/447000694.db2.gz OUEQMBMFGHUNQB-YJBOKZPZSA-N 2 0 349.450 1.786 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCCOc2cccc(Cl)c2)C1 ZINC000443059385 447001839 /nfs/dbraw/zinc/00/18/39/447001839.db2.gz MOSJVIKBQYNXLW-AWEZNQCLSA-N 2 0 339.867 1.896 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000372462610 447063959 /nfs/dbraw/zinc/06/39/59/447063959.db2.gz HNGIHMWDRGBXKT-MDZRGWNJSA-N 2 0 335.492 1.510 20 0 EDADRP Cc1nccn1CCCN(C)c1cc(N2CC[C@@H]([C@H](C)O)C2)ncn1 ZINC000413210865 447070478 /nfs/dbraw/zinc/07/04/78/447070478.db2.gz WMWBDJHZWQTFKL-GOEBONIOSA-N 2 0 344.463 1.715 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000419327335 447093383 /nfs/dbraw/zinc/09/33/83/447093383.db2.gz ZLYCVEOTYRZKSD-XEZPLFJOSA-N 2 0 344.459 1.064 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@H](C)C3)C2)c1 ZINC000377488004 447159676 /nfs/dbraw/zinc/15/96/76/447159676.db2.gz KMGMRNTUKPIIND-ZACQAIPSSA-N 2 0 346.475 1.760 20 0 EDADRP C[C@H](CNC(=O)Nc1ccnn1CC[NH+](C)C)C[NH+]1CCCCC1 ZINC000455665689 447203498 /nfs/dbraw/zinc/20/34/98/447203498.db2.gz HLWIZLWIDCDQNG-OAHLLOKOSA-N 2 0 336.484 1.688 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419511226 447233628 /nfs/dbraw/zinc/23/36/28/447233628.db2.gz HWBVUKDLGVVKFG-OAGGEKHMSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000419551007 447259507 /nfs/dbraw/zinc/25/95/07/447259507.db2.gz VNUCRAIWGQGEIW-KBPBESRZSA-N 2 0 348.491 1.415 20 0 EDADRP COc1c(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(C)nn1C ZINC000377632526 447259547 /nfs/dbraw/zinc/25/95/47/447259547.db2.gz STAFJDWGGBCWJZ-UHFFFAOYSA-N 2 0 335.496 1.197 20 0 EDADRP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)CCCCC1 ZINC000421826673 447261548 /nfs/dbraw/zinc/26/15/48/447261548.db2.gz UHYHNTFOSNDNSV-HOTGVXAUSA-N 2 0 325.497 1.901 20 0 EDADRP C[C@H](CC[NH2+]C[C@H](O)CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000379631023 447454257 /nfs/dbraw/zinc/45/42/57/447454257.db2.gz LQFZLJZIJXRYQF-MJGOQNOKSA-N 2 0 335.492 1.180 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1F ZINC000458888580 447495206 /nfs/dbraw/zinc/49/52/06/447495206.db2.gz QPTCIXLEVHKBBF-XHSDSOJGSA-N 2 0 328.476 1.935 20 0 EDADRP CC[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000426772213 447500131 /nfs/dbraw/zinc/50/01/31/447500131.db2.gz CHGQMANNRPFTJG-SJORKVTESA-N 2 0 339.524 1.802 20 0 EDADRP COCCOC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000450494691 447507025 /nfs/dbraw/zinc/50/70/25/447507025.db2.gz OBTXQWWWXVBRFD-MJGOQNOKSA-N 2 0 342.524 1.987 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419895805 447474944 /nfs/dbraw/zinc/47/49/44/447474944.db2.gz PPHIXOPVLUNJAA-JKSUJKDBSA-N 2 0 340.512 1.068 20 0 EDADRP CC1(C)CC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC(C)(C)[NH2+]1 ZINC000457400241 447574004 /nfs/dbraw/zinc/57/40/04/447574004.db2.gz ZHSNQZRAXFAEIB-HNNXBMFYSA-N 2 0 340.512 1.442 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)C[C@H]2CC[NH2+]C2)CC1 ZINC000427293640 447576120 /nfs/dbraw/zinc/57/61/20/447576120.db2.gz DFAZDYOUULPVTF-OAHLLOKOSA-N 2 0 344.459 1.402 20 0 EDADRP CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000393083964 447529503 /nfs/dbraw/zinc/52/95/03/447529503.db2.gz IIIZBCHHSYRCIX-OALUTQOASA-N 2 0 346.519 1.855 20 0 EDADRP CC[C@@H](C(=O)NC[C@@](C)(O)CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000419990625 447532452 /nfs/dbraw/zinc/53/24/52/447532452.db2.gz GGRORDFQVBCPQD-HKUYNNGSSA-N 2 0 335.492 1.716 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2CCNC(=O)CC2)CC1 ZINC000450636654 447545449 /nfs/dbraw/zinc/54/54/49/447545449.db2.gz DZQXZGOZBPMPGQ-GOSISDBHSA-N 2 0 339.524 1.973 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](C[C@H](C)S(C)(=O)=O)CC1 ZINC000450638353 447545573 /nfs/dbraw/zinc/54/55/73/447545573.db2.gz IQRGFCINBWPSHQ-HNNXBMFYSA-N 2 0 334.526 1.490 20 0 EDADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000459043467 447550389 /nfs/dbraw/zinc/55/03/89/447550389.db2.gz CYAPNRQYLABIFU-HUUCEWRRSA-N 2 0 337.468 1.356 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C(C)C ZINC000420027126 447553696 /nfs/dbraw/zinc/55/36/96/447553696.db2.gz CDDXFKCHWRSGHU-JKSUJKDBSA-N 2 0 340.512 1.197 20 0 EDADRP CC(C)CN1CCO[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000459360106 447646161 /nfs/dbraw/zinc/64/61/61/447646161.db2.gz DZHILULFSWJRTB-IBGZPJMESA-N 2 0 332.492 1.997 20 0 EDADRP C[N@H+](CCCCNC(=O)N[C@@H]1CCC[NH+](CCCO)C1)C1CC1 ZINC000459160779 447601170 /nfs/dbraw/zinc/60/11/70/447601170.db2.gz OZWJHZRRYAJADC-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000457782317 447627021 /nfs/dbraw/zinc/62/70/21/447627021.db2.gz YSWSRBLHRMLAPP-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(CN2C[C@@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000495908443 447634681 /nfs/dbraw/zinc/63/46/81/447634681.db2.gz BOOAEJSDLFMMQW-CRAIPNDOSA-N 2 0 336.480 1.134 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)c1cccc(F)c1 ZINC000416852631 447697166 /nfs/dbraw/zinc/69/71/66/447697166.db2.gz SKNHZSBBKUIGHL-CVEARBPZSA-N 2 0 338.427 1.188 20 0 EDADRP C[NH+](C)CC1CC[NH+](CCOCCNC(=O)OC(C)(C)C)CC1 ZINC000496135267 447719495 /nfs/dbraw/zinc/71/94/95/447719495.db2.gz BZLDSPCYAIYDEM-UHFFFAOYSA-N 2 0 329.485 1.801 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416953191 447724825 /nfs/dbraw/zinc/72/48/25/447724825.db2.gz TXBODGNUWGHKAP-XHSDSOJGSA-N 2 0 326.485 1.269 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000422718132 447727020 /nfs/dbraw/zinc/72/70/20/447727020.db2.gz WSIUAKCWYRZZRW-GOSISDBHSA-N 3 0 335.492 1.875 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000458229757 447750160 /nfs/dbraw/zinc/75/01/60/447750160.db2.gz FROIAPALDUUYAF-UHFFFAOYSA-N 2 0 342.528 1.907 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(S(C)(=O)=O)CC1 ZINC000422852965 447769561 /nfs/dbraw/zinc/76/95/61/447769561.db2.gz YLAZKBXFKMRJKJ-YOEHRIQHSA-N 2 0 339.505 1.206 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000422949379 447778536 /nfs/dbraw/zinc/77/85/36/447778536.db2.gz TYBKMGQTFCYWDB-SQWLQELKSA-N 2 0 339.505 1.976 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C(C)(C)C[NH3+])[C@H](c2ccccc2)C1 ZINC000431022069 447789943 /nfs/dbraw/zinc/78/99/43/447789943.db2.gz MBDYLJFVWDXSCD-KRWDZBQOSA-N 2 0 332.492 1.466 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000496607889 447832304 /nfs/dbraw/zinc/83/23/04/447832304.db2.gz MOJPLJNVDNLDGI-KRWDZBQOSA-N 2 0 329.485 1.728 20 0 EDADRP C[C@H](CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000569676593 447863662 /nfs/dbraw/zinc/86/36/62/447863662.db2.gz LQJWBACDTUPHLW-SJLPKXTDSA-N 3 0 347.507 1.181 20 0 EDADRP CC(C)[C@@H]1CN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000488189691 447843073 /nfs/dbraw/zinc/84/30/73/447843073.db2.gz COIPGPJOEJDNPO-MOPGFXCFSA-N 2 0 346.519 1.678 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]C2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663820 447843892 /nfs/dbraw/zinc/84/38/92/447843892.db2.gz PWUFWVHUNLUUMA-UONOGXRCSA-N 2 0 327.469 1.336 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000486987341 447827132 /nfs/dbraw/zinc/82/71/32/447827132.db2.gz MNZZUZXMOXONIH-KBMXLJTQSA-N 2 0 331.464 1.358 20 0 EDADRP CC(C)NC(=O)NCC[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000569924310 447919046 /nfs/dbraw/zinc/91/90/46/447919046.db2.gz UQUMZASVVROKMC-IYBDPMFKSA-N 2 0 340.512 1.515 20 0 EDADRP COc1ccc(SCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000530641874 447931653 /nfs/dbraw/zinc/93/16/53/447931653.db2.gz XCHCCCQMVJVMSQ-UHFFFAOYSA-N 2 0 339.505 1.739 20 0 EDADRP CO[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccccc1 ZINC000525453204 448000228 /nfs/dbraw/zinc/00/02/28/448000228.db2.gz SFINUNSYIIDXHA-QGZVFWFLSA-N 2 0 336.480 1.509 20 0 EDADRP C[C@@H](Oc1ccccc1F)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531118784 448021873 /nfs/dbraw/zinc/02/18/73/448021873.db2.gz CYYOOFWHSMGTQP-CQSZACIVSA-N 2 0 325.428 1.545 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(N2CCOCC2)cc1 ZINC000531119162 448023027 /nfs/dbraw/zinc/02/30/27/448023027.db2.gz PKIIAKVJBUGQGL-UHFFFAOYSA-N 2 0 348.491 1.089 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000570581627 448033602 /nfs/dbraw/zinc/03/36/02/448033602.db2.gz LHJSUGHQPIFCAI-BHIYHBOVSA-N 2 0 345.487 1.327 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2(C)CC[NH+](C)CC2)CC1 ZINC000497282570 448035652 /nfs/dbraw/zinc/03/56/52/448035652.db2.gz ATSFOZBNYQNIGR-UHFFFAOYSA-N 2 0 339.484 1.453 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497305962 448059768 /nfs/dbraw/zinc/05/97/68/448059768.db2.gz LQTFIIDZQNNBQP-ZBFHGGJFSA-N 2 0 335.448 1.739 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2cccs2)on1 ZINC000531357155 448068800 /nfs/dbraw/zinc/06/88/00/448068800.db2.gz ZUSMVDAPFSGZHA-UHFFFAOYSA-N 2 0 336.461 1.969 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000576612108 448097598 /nfs/dbraw/zinc/09/75/98/448097598.db2.gz NXNZZOUDVOMRBG-CRAIPNDOSA-N 2 0 340.512 1.117 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@H](C)[N@H+](C)C2CC2)C1 ZINC000502755090 448105638 /nfs/dbraw/zinc/10/56/38/448105638.db2.gz DYAPZVYOQWLEMV-XIRDDKMYSA-N 2 0 338.496 1.364 20 0 EDADRP Cc1nc(N2C[C@H](C)[NH+](C)C[C@H]2C)cc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)n1 ZINC000525958801 448066118 /nfs/dbraw/zinc/06/61/18/448066118.db2.gz JFTNIOIDAOCQEC-YHUYYLMFSA-N 2 0 346.523 1.843 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@H]3CCCCC[C@@H]3[NH3+])cn2)CC1 ZINC000571156471 448112078 /nfs/dbraw/zinc/11/20/78/448112078.db2.gz DBKSBZXHLQKKIA-ROUUACIJSA-N 2 0 331.508 1.973 20 0 EDADRP C[N@H+](CCC(=O)NC[C@H]1CCC[NH+]1CCCO)C1CCCCC1 ZINC000556402050 448115206 /nfs/dbraw/zinc/11/52/06/448115206.db2.gz PAWIGKHMKRCULB-QGZVFWFLSA-N 2 0 325.497 1.604 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cnn(CC(F)F)c3)C2)CC1 ZINC000556810164 448161187 /nfs/dbraw/zinc/16/11/87/448161187.db2.gz OPFCQLTVKBDLJL-MRXNPFEDSA-N 2 0 341.450 1.749 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000571433351 448153955 /nfs/dbraw/zinc/15/39/55/448153955.db2.gz YSVWOLBNXPIEHM-PKOBYXMFSA-N 2 0 348.487 1.825 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000576934544 448172182 /nfs/dbraw/zinc/17/21/82/448172182.db2.gz USEWMQIEYSDOOP-SNVBAGLBSA-N 2 0 344.228 1.671 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[NH3+])cc1)CCC2 ZINC000571642514 448186558 /nfs/dbraw/zinc/18/65/58/448186558.db2.gz VNGZPANMHVAGRL-GOSISDBHSA-N 2 0 345.468 1.960 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCc1ccccc1F ZINC000527241479 448191516 /nfs/dbraw/zinc/19/15/16/448191516.db2.gz DJGSYEKRZAPOLK-UHFFFAOYSA-N 2 0 338.471 1.893 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C[N@@H+]2CCC(C)(C)C2)CCC[NH+]1C ZINC000571896439 448231096 /nfs/dbraw/zinc/23/10/96/448231096.db2.gz ZTSTZWJBXNJZJQ-MAUKXSAKSA-N 2 0 347.507 1.651 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCOCC3)cc2)CN1C1CC1 ZINC000532210307 448216269 /nfs/dbraw/zinc/21/62/69/448216269.db2.gz ULCJVJWRQPEYRF-MAUKXSAKSA-N 2 0 343.471 1.874 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](N3CCOCC3)C2)CC1 ZINC000514870413 448217944 /nfs/dbraw/zinc/21/79/44/448217944.db2.gz JRHLZMOWYIYZBP-IBGZPJMESA-N 2 0 338.540 1.199 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000532506429 448268035 /nfs/dbraw/zinc/26/80/35/448268035.db2.gz XTEVGPZESUJAJP-QGZVFWFLSA-N 2 0 333.480 1.272 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000582535686 448265779 /nfs/dbraw/zinc/26/57/79/448265779.db2.gz YFOOXAWFMRKEBR-GOSISDBHSA-N 2 0 330.476 1.950 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)C1 ZINC000572116160 448290962 /nfs/dbraw/zinc/29/09/62/448290962.db2.gz MWMSDJMVGCTPBR-SJLPKXTDSA-N 2 0 331.460 1.346 20 0 EDADRP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C1CCOCC1 ZINC000572309867 448343334 /nfs/dbraw/zinc/34/33/34/448343334.db2.gz GTCINAPYUSDBLK-HQSKLWIPSA-N 2 0 337.508 1.865 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1CC[NH+](C)C1)c1ccccc1 ZINC000591459414 448371754 /nfs/dbraw/zinc/37/17/54/448371754.db2.gz GYNRRVNMWWYNRV-ZWKOTPCHSA-N 2 0 333.476 1.764 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515809217 448351658 /nfs/dbraw/zinc/35/16/58/448351658.db2.gz PDOSFFKZQOAZNA-ROUUACIJSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](CN1CCOCC1)[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000515851344 448358616 /nfs/dbraw/zinc/35/86/16/448358616.db2.gz DPEOKMOAALULSY-LJQANCHMSA-N 2 0 346.519 1.115 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](n3ncc4ccccc43)C2)C1 ZINC000577589726 448333895 /nfs/dbraw/zinc/33/38/95/448333895.db2.gz JXWCOJASMAPCJZ-WBVHZDCISA-N 2 0 341.459 1.480 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1ccccc1 ZINC000566179752 448405786 /nfs/dbraw/zinc/40/57/86/448405786.db2.gz XGVQIJHGRLIPDR-NJAFHUGGSA-N 2 0 333.476 1.810 20 0 EDADRP C[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C(C)(C)C1 ZINC000516323324 448413182 /nfs/dbraw/zinc/41/31/82/448413182.db2.gz ZMQICMIBFDAXLZ-UHFFFAOYSA-N 2 0 345.491 1.146 20 0 EDADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000577948162 448422581 /nfs/dbraw/zinc/42/25/81/448422581.db2.gz PRWBAEYJTVHRHU-MJGOQNOKSA-N 2 0 349.519 1.577 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)[C@H](C)C1 ZINC000566296299 448437389 /nfs/dbraw/zinc/43/73/89/448437389.db2.gz CLFRQPCDUMOABB-PVAVHDDUSA-N 2 0 333.480 1.610 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000578068193 448453452 /nfs/dbraw/zinc/45/34/52/448453452.db2.gz SGOGTSUQPGXWHT-JZXOWHBKSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CCN2CCOC(C)(C)C2)cc1 ZINC000591711291 448464961 /nfs/dbraw/zinc/46/49/61/448464961.db2.gz WKIFTCDYUMVCNL-UHFFFAOYSA-N 2 0 335.492 1.827 20 0 EDADRP COc1ccc2c(c1)OC[C@@H]2CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000534821926 448469131 /nfs/dbraw/zinc/46/91/31/448469131.db2.gz TUVXQFUGAOFFBS-HNNXBMFYSA-N 2 0 349.475 1.513 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C3CCC3)CC2)C[C@@H](C)O1 ZINC000578186775 448478587 /nfs/dbraw/zinc/47/85/87/448478587.db2.gz BJLJBTMOGMACBF-IIDMSEBBSA-N 2 0 325.497 1.063 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC2(C[NH3+])CC2)CC1 ZINC000578189931 448480345 /nfs/dbraw/zinc/48/03/45/448480345.db2.gz JEESUTOVLZBFAD-UHFFFAOYSA-N 2 0 344.503 1.569 20 0 EDADRP C[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Oc1cccc(Cl)c1 ZINC000572856188 448481999 /nfs/dbraw/zinc/48/19/99/448481999.db2.gz CPNUCWJATVDEDG-OCCSQVGLSA-N 2 0 340.855 1.392 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000584350363 448493709 /nfs/dbraw/zinc/49/37/09/448493709.db2.gz FYWBXQXKSHECEK-KSZLIROESA-N 2 0 331.460 1.301 20 0 EDADRP COCCOC[C@@H](O)C[NH2+]C1CCC([NH+]2CCC(C)CC2)CC1 ZINC000516965790 448511063 /nfs/dbraw/zinc/51/10/63/448511063.db2.gz MIMKGVZECXCEGJ-ABHNRTSZSA-N 2 0 328.497 1.643 20 0 EDADRP Cc1cc(NC(=O)NC[C@@]2(C)CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000578500895 448562396 /nfs/dbraw/zinc/56/23/96/448562396.db2.gz JKZIPLPPRBQRDT-SFHVURJKSA-N 2 0 348.495 1.969 20 0 EDADRP COC(=O)c1nccnc1NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000591915844 448573433 /nfs/dbraw/zinc/57/34/33/448573433.db2.gz WOQWSSRVSRRAAP-UHFFFAOYSA-N 2 0 347.463 1.625 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000584468141 448537779 /nfs/dbraw/zinc/53/77/79/448537779.db2.gz AZEPRONDVYAIGY-LSDHHAIUSA-N 2 0 336.480 1.942 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N(C)C3CC([NH3+])C3)CCCC2)CC1 ZINC000578425503 448541409 /nfs/dbraw/zinc/54/14/09/448541409.db2.gz IJYFSGGKSOCSAA-UHFFFAOYSA-N 2 0 338.496 1.541 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566903737 448581018 /nfs/dbraw/zinc/58/10/18/448581018.db2.gz IQZPSVXMYVJKCJ-DLBZAZTESA-N 2 0 346.475 1.378 20 0 EDADRP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC[N@@H+]1C ZINC000528709627 448640745 /nfs/dbraw/zinc/64/07/45/448640745.db2.gz DEYLSEPBDQAPFB-MRXNPFEDSA-N 2 0 332.448 1.973 20 0 EDADRP CC(C)n1nccc1NC(=O)[C@@H](C)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276669 448656634 /nfs/dbraw/zinc/65/66/34/448656634.db2.gz QYMPAXNABPGERY-CABCVRRESA-N 2 0 349.479 1.478 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@]12C[C@H]1CC[NH2+]2 ZINC000573593974 448666619 /nfs/dbraw/zinc/66/66/19/448666619.db2.gz ADJSTRASFSJDSY-LMMKCTJWSA-N 2 0 329.444 1.146 20 0 EDADRP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC1(C[NH2+][C@@H]2[C@H](C)O[C@H](C)[C@H]2C)COC1 ZINC000528770018 448667643 /nfs/dbraw/zinc/66/76/43/448667643.db2.gz YMBQZSQZOWUOFC-HSNJFRPJSA-N 2 0 340.508 1.806 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)COc2ccc(F)cc2)CC1(C)C ZINC000573676977 448686536 /nfs/dbraw/zinc/68/65/36/448686536.db2.gz PRFPUGQPJIRULJ-INIZCTEOSA-N 2 0 339.455 1.181 20 0 EDADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H]1C[C@@H]1[NH3+] ZINC000573680899 448687662 /nfs/dbraw/zinc/68/76/62/448687662.db2.gz HMXGJHXXOHNHGP-BBWFWOEESA-N 2 0 339.443 1.924 20 0 EDADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000573681041 448687941 /nfs/dbraw/zinc/68/79/41/448687941.db2.gz OBQBLMYEIAAVFF-HNNXBMFYSA-N 2 0 346.479 1.121 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000573786430 448711347 /nfs/dbraw/zinc/71/13/47/448711347.db2.gz IOHFIXSQHXFQLG-ZWKOTPCHSA-N 2 0 328.460 1.693 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000567571523 448715286 /nfs/dbraw/zinc/71/52/86/448715286.db2.gz LPYZUNMUMCIGJG-KBXCAEBGSA-N 2 0 328.460 1.657 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@@H]1C[NH2+]CCO1 ZINC000567594300 448719226 /nfs/dbraw/zinc/71/92/26/448719226.db2.gz IISLLQJYQGRTMH-KRWDZBQOSA-N 2 0 332.448 1.070 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000567787543 448762015 /nfs/dbraw/zinc/76/20/15/448762015.db2.gz PRMAKXXLZZTKSS-RKVPGOIHSA-N 2 0 331.460 1.489 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000579328659 448768024 /nfs/dbraw/zinc/76/80/24/448768024.db2.gz JILANHQJBVYRPP-UHFFFAOYSA-N 2 0 344.459 1.214 20 0 EDADRP Cc1cccc(N2CCN(C(=O)C[NH+]3CCC(CC[NH3+])CC3)CC2)c1 ZINC000573926661 448749364 /nfs/dbraw/zinc/74/93/64/448749364.db2.gz CAWIRFHKNOWFRF-UHFFFAOYSA-N 2 0 344.503 1.704 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CCC[NH2+]C1 ZINC000519634086 448806018 /nfs/dbraw/zinc/80/60/18/448806018.db2.gz FCEXPYGJQCBEAD-ZWKOTPCHSA-N 2 0 330.476 1.807 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000529302775 448813112 /nfs/dbraw/zinc/81/31/12/448813112.db2.gz ZUKQDZLYYOTNAU-ZWKOTPCHSA-N 2 0 346.475 1.186 20 0 EDADRP C[C@H](CC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)n1ccnc1 ZINC000574094053 448789068 /nfs/dbraw/zinc/78/90/68/448789068.db2.gz ZIBQBPQBZUAZSR-CRAIPNDOSA-N 2 0 342.443 1.370 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000519584548 448791200 /nfs/dbraw/zinc/79/12/00/448791200.db2.gz MJAPKIKSOOKCDW-UYAOXDASSA-N 2 0 345.487 1.565 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000519597036 448794884 /nfs/dbraw/zinc/79/48/84/448794884.db2.gz KUSNFMMYDJPNEK-HKUYNNGSSA-N 2 0 344.503 1.481 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C3CCC3)cc2)CC1 ZINC000579468321 448801105 /nfs/dbraw/zinc/80/11/05/448801105.db2.gz CEDRYIUAAYNYOA-IBGZPJMESA-N 2 0 344.503 1.568 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000529320869 448821440 /nfs/dbraw/zinc/82/14/40/448821440.db2.gz GUNUBKBITSSSDQ-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000579662486 448842454 /nfs/dbraw/zinc/84/24/54/448842454.db2.gz KCIAHKMDBLEBBC-QLFBSQMISA-N 2 0 338.448 1.516 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000568247085 448844199 /nfs/dbraw/zinc/84/41/99/448844199.db2.gz BFBLXNIBJVLURX-STQMWFEESA-N 2 0 331.869 1.478 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000529380598 448850672 /nfs/dbraw/zinc/85/06/72/448850672.db2.gz PAMVGTSTCZEQJI-DLBZAZTESA-N 2 0 338.496 1.272 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCN2C)cc1 ZINC000519828284 448854557 /nfs/dbraw/zinc/85/45/57/448854557.db2.gz VDTCSJUETLLTOY-SFHVURJKSA-N 2 0 332.492 1.552 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000520234957 448876297 /nfs/dbraw/zinc/87/62/97/448876297.db2.gz LJAHSCMWAOGKML-INIZCTEOSA-N 2 0 339.443 1.862 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000579707571 448858427 /nfs/dbraw/zinc/85/84/27/448858427.db2.gz FOWKWXKOVJUAAX-GJZGRUSLSA-N 2 0 326.485 1.399 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000520424680 448895677 /nfs/dbraw/zinc/89/56/77/448895677.db2.gz APWJYYJARSZSPZ-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000521983461 449036141 /nfs/dbraw/zinc/03/61/41/449036141.db2.gz WLMZHUSAXILWAC-JWFUOXDNSA-N 2 0 338.249 1.974 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592956135 449076326 /nfs/dbraw/zinc/07/63/26/449076326.db2.gz DTWALLJNNKCFQN-FZKCQIBNSA-N 2 0 347.507 1.815 20 0 EDADRP C[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000592956108 449076731 /nfs/dbraw/zinc/07/67/31/449076731.db2.gz DJQVHFYMTRYPPT-KFWWJZLASA-N 2 0 333.480 1.712 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000582243393 449047216 /nfs/dbraw/zinc/04/72/16/449047216.db2.gz LYCWOUNMXKTVRL-YOEHRIQHSA-N 2 0 346.475 1.695 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530215815 449084574 /nfs/dbraw/zinc/08/45/74/449084574.db2.gz JHALMLAKOKSAFG-XJKSGUPXSA-N 2 0 327.428 1.935 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000601828435 449171740 /nfs/dbraw/zinc/17/17/40/449171740.db2.gz JTHZNMLIGFODMZ-OAHLLOKOSA-N 2 0 325.522 1.806 20 0 EDADRP C[C@@](CO)([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000605187119 449357389 /nfs/dbraw/zinc/35/73/89/449357389.db2.gz LGHLSXOBCHXLIT-IBGZPJMESA-N 2 0 331.460 1.227 20 0 EDADRP C[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](Cc3cccnc3)C1)C2 ZINC000614039559 449427780 /nfs/dbraw/zinc/42/77/80/449427780.db2.gz XCSJKKYTIMILSS-KRWDZBQOSA-N 2 0 328.460 1.458 20 0 EDADRP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000602332826 449521933 /nfs/dbraw/zinc/52/19/33/449521933.db2.gz XLMATSRTGGPHLA-OAHLLOKOSA-N 2 0 345.491 1.294 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607235993 449590007 /nfs/dbraw/zinc/59/00/07/449590007.db2.gz NUMBVSKLEVXCNI-SJORKVTESA-N 3 0 341.544 1.242 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481622 449625756 /nfs/dbraw/zinc/62/57/56/449625756.db2.gz HCYQPGHFYKDFBQ-MOPGFXCFSA-N 2 0 339.524 1.528 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000602581025 449685320 /nfs/dbraw/zinc/68/53/20/449685320.db2.gz GRAFGOOHEDKUGA-OIISXLGYSA-N 2 0 335.517 1.951 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000597087430 449805373 /nfs/dbraw/zinc/80/53/73/449805373.db2.gz BLIKHLCYBHXZKG-AWEZNQCLSA-N 2 0 337.439 1.728 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000594919867 449807362 /nfs/dbraw/zinc/80/73/62/449807362.db2.gz CQMVFBDYZZOXLC-RRQGHBQHSA-N 2 0 347.459 1.265 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H](C)[NH+](C)C)CC2)c1 ZINC000617753484 449818351 /nfs/dbraw/zinc/81/83/51/449818351.db2.gz DKXIHDLMVAGYSM-SFHVURJKSA-N 2 0 346.519 1.964 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000595015141 449842496 /nfs/dbraw/zinc/84/24/96/449842496.db2.gz XKSDUTFNZSUUAO-HNNXBMFYSA-N 2 0 327.513 1.970 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612987693 449972870 /nfs/dbraw/zinc/97/28/70/449972870.db2.gz MVGKRJRGZTUJAX-IAGOWNOFSA-N 2 0 346.475 1.739 20 0 EDADRP CO[C@@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000613004974 449979628 /nfs/dbraw/zinc/97/96/28/449979628.db2.gz JHFJGGIGOYNABC-UJJTZGENSA-N 2 0 335.492 1.571 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615309053 450057066 /nfs/dbraw/zinc/05/70/66/450057066.db2.gz PJILHKKDAMHOCQ-AYBZRNKSSA-N 2 0 331.460 1.174 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[NH+](C)C ZINC000610550926 450259768 /nfs/dbraw/zinc/25/97/68/450259768.db2.gz AZMYFEJDRIIJEG-GJZGRUSLSA-N 2 0 327.469 1.203 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000613664884 450264079 /nfs/dbraw/zinc/26/40/79/450264079.db2.gz IHOHEABIHNDNAI-BZUAXINKSA-N 2 0 325.522 1.803 20 0 EDADRP CCC[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)CCC ZINC000616782638 450483679 /nfs/dbraw/zinc/48/36/79/450483679.db2.gz MTANZERPULUVLF-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623354478 450503944 /nfs/dbraw/zinc/50/39/44/450503944.db2.gz WIGIDXSILQZWLG-UHFFFAOYSA-N 2 0 346.454 1.522 20 0 EDADRP Cn1ccnc1CN1CCC[C@@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623488702 450530381 /nfs/dbraw/zinc/53/03/81/450530381.db2.gz AIRQFELOVGFXDG-LSDHHAIUSA-N 3 0 333.480 1.374 20 0 EDADRP CC[NH+](CC)[C@H](CNc1nc(N)[nH+]c(N)n1)c1ccccc1Cl ZINC000623799517 450591106 /nfs/dbraw/zinc/59/11/06/450591106.db2.gz AOGBKGIAUUCJOJ-GFCCVEGCSA-N 2 0 335.843 1.267 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000633015186 450612314 /nfs/dbraw/zinc/61/23/14/450612314.db2.gz BFUODUSUDOVUNN-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000633039068 450635872 /nfs/dbraw/zinc/63/58/72/450635872.db2.gz JXIVBFCETFCAIZ-DZGCQCFKSA-N 2 0 332.448 1.415 20 0 EDADRP Nc1nc(NCc2ccccc2C[NH+]2CCCCCC2)nc(N)[nH+]1 ZINC000623966839 450654454 /nfs/dbraw/zinc/65/44/54/450654454.db2.gz CYYCCRFSCGFTDD-UHFFFAOYSA-N 2 0 327.436 1.107 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635126106 450671224 /nfs/dbraw/zinc/67/12/24/450671224.db2.gz UQXFKRLLFVPUBH-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC(C)(C)CC[C@@H]2CO)CC1 ZINC000621379506 450706647 /nfs/dbraw/zinc/70/66/47/450706647.db2.gz WZIVFTSTCGSAOO-MRXNPFEDSA-N 2 0 325.497 1.458 20 0 EDADRP CN1CCO[C@H]([C@H]([NH2+]CCOCCC[NH3+])c2ccc(Cl)cc2)C1 ZINC000629541091 450727620 /nfs/dbraw/zinc/72/76/20/450727620.db2.gz XKFXUZUZGQMSNI-DLBZAZTESA-N 2 0 341.883 1.667 20 0 EDADRP [NH3+]C[C@@H]1CN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629561681 450737668 /nfs/dbraw/zinc/73/76/68/450737668.db2.gz IYQYDWPTHSFTDN-UGUYLWEFSA-N 2 0 345.409 1.376 20 0 EDADRP O[C@@H](C[NH2+]CCc1ccc(OCC(F)(F)F)nc1)C[NH+]1CCCC1 ZINC000629573786 450744659 /nfs/dbraw/zinc/74/46/59/450744659.db2.gz ASNNBSMHRXTUQK-AWEZNQCLSA-N 2 0 347.381 1.612 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629578286 450745437 /nfs/dbraw/zinc/74/54/37/450745437.db2.gz AOZUDSBVIQHYIZ-OLZOCXBDSA-N 2 0 327.856 1.813 20 0 EDADRP CC(C)CCO[C@H]1CC[C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CC1 ZINC000629595187 450755842 /nfs/dbraw/zinc/75/58/42/450755842.db2.gz KTPVKEWJFMBFKM-FHWLQOOXSA-N 2 0 341.540 1.558 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H](c2ccccc2)N2CCOCC2)C1 ZINC000635217736 450760948 /nfs/dbraw/zinc/76/09/48/450760948.db2.gz SWVUCKHJZFGOPZ-WMZOPIPTSA-N 2 0 331.460 1.518 20 0 EDADRP O=C(NCCN1CCN(c2ccccc2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635252852 450784374 /nfs/dbraw/zinc/78/43/74/450784374.db2.gz CHFMMPMMNGSBGU-IAGOWNOFSA-N 2 0 339.443 1.452 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000621645741 450809595 /nfs/dbraw/zinc/80/95/95/450809595.db2.gz LIHLLLJKZCNYBL-HNNXBMFYSA-N 2 0 331.464 1.552 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000621650795 450814493 /nfs/dbraw/zinc/81/44/93/450814493.db2.gz CPFRNVROXDPOLL-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H](NC(=O)CC[C@H]1CCC[NH2+]C1)C1([NH+]2CCOCC2)CCCC1 ZINC000621651214 450815470 /nfs/dbraw/zinc/81/54/70/450815470.db2.gz ISVDMKXLKPWEEF-IAGOWNOFSA-N 2 0 337.508 1.916 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000621654367 450817606 /nfs/dbraw/zinc/81/76/06/450817606.db2.gz XUDCDTUBRGMVHE-INIZCTEOSA-N 2 0 330.476 1.942 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000631860197 450830368 /nfs/dbraw/zinc/83/03/68/450830368.db2.gz ILCZOZQWTQONSA-QAPCUYQASA-N 2 0 330.476 1.320 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CCC[NH+](C)C)cc1 ZINC000631903398 450862264 /nfs/dbraw/zinc/86/22/64/450862264.db2.gz HLIAHFHLOUDACH-INIZCTEOSA-N 2 0 327.494 1.681 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@H]21 ZINC000627653689 450869817 /nfs/dbraw/zinc/86/98/17/450869817.db2.gz XKUAYMYECRSSMR-ZSYWTGECSA-N 2 0 343.471 1.203 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)S(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631912079 450871573 /nfs/dbraw/zinc/87/15/73/450871573.db2.gz CTVRPJLNQKNATB-UHFFFAOYSA-N 2 0 348.557 1.215 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635415061 450921478 /nfs/dbraw/zinc/92/14/78/450921478.db2.gz GVOCLSFMSXZXEZ-IXDOHACOSA-N 2 0 339.524 1.827 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC3([NH2+]C)CCC3)CC2)CC1 ZINC000630004074 450945798 /nfs/dbraw/zinc/94/57/98/450945798.db2.gz LWVMPCGNJMRKKD-UHFFFAOYSA-N 2 0 336.524 1.441 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccnc1C(C)C ZINC000635464041 450963085 /nfs/dbraw/zinc/96/30/85/450963085.db2.gz FSHYMGJBDNSUPA-QGZVFWFLSA-N 2 0 349.523 1.881 20 0 EDADRP C[C@@](O)(C[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CC1 ZINC000630048036 450982185 /nfs/dbraw/zinc/98/21/85/450982185.db2.gz XZUKCYZECKUSLI-RBUKOAKNSA-N 2 0 340.508 1.333 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)NC[C@H]1COCC[NH2+]1 ZINC000626916389 451002409 /nfs/dbraw/zinc/00/24/09/451002409.db2.gz BQMDWPUVCCHGIS-DLBZAZTESA-N 2 0 332.448 1.111 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)c1 ZINC000626923303 451006452 /nfs/dbraw/zinc/00/64/52/451006452.db2.gz QMKALTNMJRVHFM-QGTPRVQTSA-N 2 0 346.475 1.882 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937786 451019449 /nfs/dbraw/zinc/01/94/49/451019449.db2.gz YUWNCCWGNQAOMR-HNNXBMFYSA-N 2 0 326.485 1.306 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCOCCC[NH3+])C1 ZINC000626947250 451026380 /nfs/dbraw/zinc/02/63/80/451026380.db2.gz QADQXZXCXNPLSK-GASCZTMLSA-N 2 0 328.501 1.408 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC1(C[NH3+])CCOCC1 ZINC000626948201 451027226 /nfs/dbraw/zinc/02/72/26/451027226.db2.gz OXNJNFUFZPIZTD-ZNMIVQPWSA-N 2 0 326.485 1.160 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626954926 451032485 /nfs/dbraw/zinc/03/24/85/451032485.db2.gz NOTHUELBFPXAQX-SFHVURJKSA-N 2 0 348.491 1.515 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N(C)CCOCC[NH3+])[NH+]2CCCC2)o1 ZINC000626963416 451038247 /nfs/dbraw/zinc/03/82/47/451038247.db2.gz NRGFIMROLTZGRB-HNNXBMFYSA-N 2 0 338.452 1.342 20 0 EDADRP C[C@@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000627034154 451092684 /nfs/dbraw/zinc/09/26/84/451092684.db2.gz YZTFRYVOJZTOAH-GDBMZVCRSA-N 2 0 334.464 1.485 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979371 451048904 /nfs/dbraw/zinc/04/89/04/451048904.db2.gz XXLQTMBUVJIGEU-SFHVURJKSA-N 2 0 348.491 1.749 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000627086360 451118281 /nfs/dbraw/zinc/11/82/81/451118281.db2.gz RALPSOIQIAXBDZ-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000627115314 451131209 /nfs/dbraw/zinc/13/12/09/451131209.db2.gz UGVSXRQVBRIUCS-VJUNAUMWSA-N 2 0 334.439 1.711 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000622356436 451131997 /nfs/dbraw/zinc/13/19/97/451131997.db2.gz LIRAMJCUOOBFHV-UHFFFAOYSA-N 2 0 346.475 1.518 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[NH2+]C23CCC3)o1 ZINC000627133565 451142967 /nfs/dbraw/zinc/14/29/67/451142967.db2.gz FHZWHLARLLORND-INIZCTEOSA-N 2 0 334.464 1.946 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000627154310 451151439 /nfs/dbraw/zinc/15/14/39/451151439.db2.gz BZBFYUAMAVYCCW-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP CC1(C)CN(C(=O)NCC2([NH3+])CCCCCC2)CC[N@@H+]1CCO ZINC000634019245 451156965 /nfs/dbraw/zinc/15/69/65/451156965.db2.gz QWVOWZOLGZHFEC-UHFFFAOYSA-N 2 0 326.485 1.136 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000634092390 451189899 /nfs/dbraw/zinc/18/98/99/451189899.db2.gz VEJBDBGZDLRXKG-UHFFFAOYSA-N 2 0 348.495 1.116 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638083008 451246490 /nfs/dbraw/zinc/24/64/90/451246490.db2.gz ZOENOKOGRCHHQE-QUCCMNQESA-N 2 0 345.487 1.782 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638118190 451286683 /nfs/dbraw/zinc/28/66/83/451286683.db2.gz QOROXMICMHJFIF-IEBWSBKVSA-N 2 0 331.460 1.523 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2)[C@H](C)C1 ZINC000638113235 451280906 /nfs/dbraw/zinc/28/09/06/451280906.db2.gz AFHPBEMCWRRXQR-CJNGLKHVSA-N 2 0 325.478 1.496 20 0 EDADRP Cc1cc(NC(=O)[C@@]2(C)C[NH2+]CCO2)ccc1OCC[NH+]1CCCC1 ZINC000638119261 451287688 /nfs/dbraw/zinc/28/76/88/451287688.db2.gz MYGYXNPZCDKUPZ-LJQANCHMSA-N 2 0 347.459 1.787 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638121056 451290529 /nfs/dbraw/zinc/29/05/29/451290529.db2.gz DCTQIPFMZIDXIK-CQSZACIVSA-N 2 0 347.381 1.790 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC000635847410 451294941 /nfs/dbraw/zinc/29/49/41/451294941.db2.gz XGSXHWGIRFCVBE-QGZVFWFLSA-N 2 0 333.476 1.927 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141808 451316150 /nfs/dbraw/zinc/31/61/50/451316150.db2.gz IGHHKNHQPDQAJO-OALUTQOASA-N 2 0 344.503 1.436 20 0 EDADRP CN(C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638146194 451320063 /nfs/dbraw/zinc/32/00/63/451320063.db2.gz PXZCVMMZLMDABY-UJJTZGENSA-N 2 0 330.476 1.187 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000638157402 451326952 /nfs/dbraw/zinc/32/69/52/451326952.db2.gz XGSQCYWZCPFPEJ-SCLBCKFNSA-N 2 0 340.427 1.598 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638238953 451375393 /nfs/dbraw/zinc/37/53/93/451375393.db2.gz DYUBSGAGXZLNDN-QGZVFWFLSA-N 2 0 327.472 1.723 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000638242989 451377814 /nfs/dbraw/zinc/37/78/14/451377814.db2.gz XRLOCPIYQOXHKQ-UHFFFAOYSA-N 2 0 337.423 1.996 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000638249940 451380379 /nfs/dbraw/zinc/38/03/79/451380379.db2.gz AQJHBHHRLMDDJJ-JZXOWHBKSA-N 2 0 331.460 1.933 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)CC12CCOCC2 ZINC000638264419 451387024 /nfs/dbraw/zinc/38/70/24/451387024.db2.gz ZUONWRDRXPPURW-QGZVFWFLSA-N 2 0 343.471 1.089 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638176809 451339173 /nfs/dbraw/zinc/33/91/73/451339173.db2.gz FYQMDOGIMGFAEO-DOMZBBRYSA-N 2 0 345.447 1.031 20 0 EDADRP C[NH+](C)CCN(C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638273206 451392380 /nfs/dbraw/zinc/39/23/80/451392380.db2.gz ZAJRRDPSZIKTLH-IBGZPJMESA-N 2 0 346.519 1.779 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638287756 451405212 /nfs/dbraw/zinc/40/52/12/451405212.db2.gz XENWNJVWEJHSMC-XJKSGUPXSA-N 2 0 325.416 1.186 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000638289328 451406024 /nfs/dbraw/zinc/40/60/24/451406024.db2.gz NTDHXMDGDFRMLW-WMZOPIPTSA-N 2 0 332.448 1.181 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000638302643 451417448 /nfs/dbraw/zinc/41/74/48/451417448.db2.gz KAIPGNHPILXVRF-ZWKOTPCHSA-N 2 0 329.444 1.441 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000638309895 451423932 /nfs/dbraw/zinc/42/39/32/451423932.db2.gz QLNIOUQXGIGRDJ-RYQLBKOJSA-N 2 0 331.460 1.508 20 0 EDADRP CN(C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)[C@@H](C[NH3+])C1CC1 ZINC000638330109 451437388 /nfs/dbraw/zinc/43/73/88/451437388.db2.gz ZPUSEQMXFADRPL-INIZCTEOSA-N 2 0 345.447 1.113 20 0 EDADRP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc(S(N)(=O)=O)cc2)C1 ZINC000638366047 451462874 /nfs/dbraw/zinc/46/28/74/451462874.db2.gz KKGGIDREFBZIMT-HNNXBMFYSA-N 2 0 339.505 1.936 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000628904678 451466813 /nfs/dbraw/zinc/46/68/13/451466813.db2.gz QUTYLCCDGQWAGQ-HNNXBMFYSA-N 2 0 341.521 1.137 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NC[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000638340827 451445001 /nfs/dbraw/zinc/44/50/01/451445001.db2.gz GHZGUMCEJHGLQG-ROUUACIJSA-N 2 0 345.491 1.108 20 0 EDADRP [NH3+]C[C@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCCOC1 ZINC000638406152 451493646 /nfs/dbraw/zinc/49/36/46/451493646.db2.gz PAURHQWVJUSSKY-LJQANCHMSA-N 2 0 346.475 1.165 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)c1 ZINC000638416698 451502030 /nfs/dbraw/zinc/50/20/30/451502030.db2.gz CRPIEHAQBCSECR-ZWKOTPCHSA-N 2 0 341.411 1.995 20 0 EDADRP COC[C@@]1(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CCCC[NH2+]1 ZINC000638419428 451503944 /nfs/dbraw/zinc/50/39/44/451503944.db2.gz RUCYSHMTNQBRDJ-FUHWJXTLSA-N 2 0 333.432 1.445 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000638425116 451508416 /nfs/dbraw/zinc/50/84/16/451508416.db2.gz HSUBFDYYNAPKQB-KURKYZTESA-N 2 0 343.471 1.521 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cc(C(N)=O)cs3)c2)CC1 ZINC000630962210 451509356 /nfs/dbraw/zinc/50/93/56/451509356.db2.gz XJSYRELGDHLOEA-UHFFFAOYSA-N 2 0 331.445 1.606 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638505829 451550452 /nfs/dbraw/zinc/55/04/52/451550452.db2.gz OTQGSCBQQPWMHR-DLBZAZTESA-N 2 0 328.460 1.694 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H]2OCC[C@@H]2[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638511477 451552284 /nfs/dbraw/zinc/55/22/84/451552284.db2.gz AMAZPUZEMJFABE-RCCFBDPRSA-N 2 0 331.460 1.472 20 0 EDADRP CC[C@@]1(C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000638527652 451560169 /nfs/dbraw/zinc/56/01/69/451560169.db2.gz WYHYUYZDNWPTSI-SFHVURJKSA-N 2 0 332.448 1.449 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccncc1Br)N1CC[NH+](C)CC1 ZINC000631065911 451563748 /nfs/dbraw/zinc/56/37/48/451563748.db2.gz WLQKEWBRDXKVDJ-LBPRGKRZSA-N 2 0 327.270 1.570 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000638546197 451571408 /nfs/dbraw/zinc/57/14/08/451571408.db2.gz CITSPSRFCSEGDE-HZSPNIEDSA-N 2 0 329.366 1.542 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000636207461 451584386 /nfs/dbraw/zinc/58/43/86/451584386.db2.gz ICBMEMXNJSATDU-PBFPGSCMSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccncc1Br ZINC000631113368 451591535 /nfs/dbraw/zinc/59/15/35/451591535.db2.gz GIQXXRKKBHJMHN-CYBMUJFWSA-N 2 0 341.297 1.960 20 0 EDADRP C[C@@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000638602864 451600901 /nfs/dbraw/zinc/60/09/01/451600901.db2.gz PDRYGSYEPOQKCW-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@](C)([NH3+])c1cn(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836463 451621809 /nfs/dbraw/zinc/62/18/09/451621809.db2.gz FDWRIOPHIRDSGE-YJBOKZPZSA-N 2 0 344.463 1.281 20 0 EDADRP O=C1CC[C@H]([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1 ZINC000634961073 451625826 /nfs/dbraw/zinc/62/58/26/451625826.db2.gz KDBCFAAIHZGJOT-KRWDZBQOSA-N 2 0 331.460 1.920 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635012214 451648712 /nfs/dbraw/zinc/64/87/12/451648712.db2.gz JQJFRSPINFNTDQ-HIFRSBDPSA-N 2 0 328.478 1.537 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000638783234 451690110 /nfs/dbraw/zinc/69/01/10/451690110.db2.gz ILKOWAAZYFFMPH-ROUUACIJSA-N 2 0 331.460 1.612 20 0 EDADRP O=C(N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638787059 451692354 /nfs/dbraw/zinc/69/23/54/451692354.db2.gz UBTHHDFASVUTQG-HIFRSBDPSA-N 2 0 349.397 1.146 20 0 EDADRP C[N@H+](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)CC(C)(C)C ZINC000638793446 451693873 /nfs/dbraw/zinc/69/38/73/451693873.db2.gz YBMFXKQPNMIEDH-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP [NH3+][C@H]1CCCCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000638818658 451700333 /nfs/dbraw/zinc/70/03/33/451700333.db2.gz DNVIBSMFJWMDTG-SFHVURJKSA-N 2 0 344.503 1.929 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)[C@H]1C[NH2+]CCO1)c1cccc(C(F)(F)F)c1 ZINC000638830895 451704354 /nfs/dbraw/zinc/70/43/54/451704354.db2.gz GYSULDUFJBAUAL-UONOGXRCSA-N 2 0 345.365 1.413 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638857753 451713291 /nfs/dbraw/zinc/71/32/91/451713291.db2.gz YNOGWFACJBEVPW-YVWKXTFCSA-N 2 0 345.487 1.626 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000638860738 451713858 /nfs/dbraw/zinc/71/38/58/451713858.db2.gz DQQRNRXTBPJOFT-UHFFFAOYSA-N 2 0 334.468 1.108 20 0 EDADRP COc1ncc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)s1 ZINC000638872139 451715877 /nfs/dbraw/zinc/71/58/77/451715877.db2.gz FHLKNVDMXGUIHJ-UHFFFAOYSA-N 2 0 348.472 1.733 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C1 ZINC000632961052 451670111 /nfs/dbraw/zinc/67/01/11/451670111.db2.gz NODMKRMERLGNPK-ZIAGYGMSSA-N 2 0 334.468 1.741 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638936848 451739761 /nfs/dbraw/zinc/73/97/61/451739761.db2.gz SCNCIVFJVIZMOL-SJORKVTESA-N 2 0 330.476 1.537 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCC[NH+]2CC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151128 451741667 /nfs/dbraw/zinc/74/16/67/451741667.db2.gz XPJDZCIHTUPMPA-CGTJXYLNSA-N 2 0 346.475 1.015 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)N1CCCC1=O ZINC000638988491 451748507 /nfs/dbraw/zinc/74/85/07/451748507.db2.gz YXCFHPBNMIEUHT-KRWDZBQOSA-N 2 0 345.447 1.077 20 0 EDADRP CO[C@H](C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000639171816 451784775 /nfs/dbraw/zinc/78/47/75/451784775.db2.gz DHPZQNPGBOOSSU-RBUKOAKNSA-N 2 0 339.524 1.528 20 0 EDADRP CO[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000639266931 451801899 /nfs/dbraw/zinc/80/18/99/451801899.db2.gz UOBGZWYWNZDTQI-MOPGFXCFSA-N 2 0 348.487 1.655 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000637372626 451804023 /nfs/dbraw/zinc/80/40/23/451804023.db2.gz LRQREQYDKCHXGZ-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000649071954 451808093 /nfs/dbraw/zinc/80/80/93/451808093.db2.gz VMRCZZSBMLNGKM-HNNXBMFYSA-N 2 0 338.496 1.219 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000644524089 451840449 /nfs/dbraw/zinc/84/04/49/451840449.db2.gz QFWZPFNIYNZVIE-GUDVDZBRSA-N 2 0 348.487 1.832 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000642244562 451843792 /nfs/dbraw/zinc/84/37/92/451843792.db2.gz ZLVJWYHDNGBPCG-HZPDHXFCSA-N 2 0 340.512 1.201 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000642257918 451846599 /nfs/dbraw/zinc/84/65/99/451846599.db2.gz ICRATKYQJQKVNK-INIZCTEOSA-N 2 0 338.496 1.017 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000644562471 451862359 /nfs/dbraw/zinc/86/23/59/451862359.db2.gz UCSZIZFDQPVLTP-KRWDZBQOSA-N 2 0 339.911 1.859 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)COCc2cccs2)CC1 ZINC000644584175 451877776 /nfs/dbraw/zinc/87/77/76/451877776.db2.gz MADYVNMMXXCKAC-MRXNPFEDSA-N 2 0 341.521 1.241 20 0 EDADRP C[C@@H]1Cc2cn[nH]c2[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000646857461 451893285 /nfs/dbraw/zinc/89/32/85/451893285.db2.gz CYAAUIOLZWBXLV-NVXWUHKLSA-N 2 0 349.523 1.808 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000642643437 451905498 /nfs/dbraw/zinc/90/54/98/451905498.db2.gz JKLBELSLZJIQBO-ZWKOTPCHSA-N 2 0 328.497 1.597 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]CCC(=O)Nc2ccccc2F)CC1(C)C ZINC000644639600 451911203 /nfs/dbraw/zinc/91/12/03/451911203.db2.gz JWVYXETZEOEOTQ-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP COCCC1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000649278791 451949472 /nfs/dbraw/zinc/94/94/72/451949472.db2.gz BXIKTBGHKDKDGS-GOSISDBHSA-N 2 0 345.487 1.783 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCC[NH2+]1 ZINC000649278720 451949732 /nfs/dbraw/zinc/94/97/32/451949732.db2.gz YLOMYQOCKBIFNF-FUHWJXTLSA-N 2 0 335.448 1.183 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000653416615 451929192 /nfs/dbraw/zinc/92/91/92/451929192.db2.gz BKDDRAZZEHYGEO-MRXNPFEDSA-N 2 0 348.495 1.927 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)CC1 ZINC000646923737 451940916 /nfs/dbraw/zinc/94/09/16/451940916.db2.gz YXXLJSQZFGYLRX-AEFFLSMTSA-N 2 0 328.460 1.769 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1([NH3+])CCN(C(C)=O)C1)c1ccccc1 ZINC000649268485 451941327 /nfs/dbraw/zinc/94/13/27/451941327.db2.gz LJXKFUAEAXBOIQ-HKUYNNGSSA-N 2 0 346.475 1.135 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642750480 451948383 /nfs/dbraw/zinc/94/83/83/451948383.db2.gz BQOXPJVAXITQAZ-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@H]3CCC[N@H+](C)C3)ccc21 ZINC000651610500 451958261 /nfs/dbraw/zinc/95/82/61/451958261.db2.gz GIYCERBKJAOTBL-RDJZCZTQSA-N 2 0 344.459 1.384 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC(=O)Nc2ccccn2)[C@H](C)C1 ZINC000639588598 451959267 /nfs/dbraw/zinc/95/92/67/451959267.db2.gz DQKNDMGOOCLQJN-CVEARBPZSA-N 2 0 334.464 1.747 20 0 EDADRP O[C@@]1(CN2CCO[C@]3(CCOC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639589478 451959454 /nfs/dbraw/zinc/95/94/54/451959454.db2.gz PRBHLPFBLGZPFR-RBUKOAKNSA-N 2 0 332.444 1.115 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CC(C)(C)[NH3+])c1 ZINC000649289995 451966523 /nfs/dbraw/zinc/96/65/23/451966523.db2.gz MNLZGEOXBODDDK-UHFFFAOYSA-N 2 0 334.464 1.824 20 0 EDADRP CC1(C)CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1CCO ZINC000639602061 451968261 /nfs/dbraw/zinc/96/82/61/451968261.db2.gz NXUPSCVRUAZSNX-HXUWFJFHSA-N 2 0 347.503 1.012 20 0 EDADRP COCCC1(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649293136 451969396 /nfs/dbraw/zinc/96/93/96/451969396.db2.gz AHKPDMPGQJGVHI-HOTGVXAUSA-N 2 0 325.497 1.629 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649305507 451981273 /nfs/dbraw/zinc/98/12/73/451981273.db2.gz UXPHFUJELATORD-MSOLQXFVSA-N 2 0 331.460 1.251 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)NC[C@@H](C)[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000642909889 451987027 /nfs/dbraw/zinc/98/70/27/451987027.db2.gz WPBYPHPGWFHYHU-HLLBOEOZSA-N 2 0 348.491 1.332 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)cnn1C ZINC000649310407 451987703 /nfs/dbraw/zinc/98/77/03/451987703.db2.gz DLVWIVJHEAXZQE-JQHSSLGASA-N 2 0 347.507 1.268 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649309785 451988358 /nfs/dbraw/zinc/98/83/58/451988358.db2.gz FPNOPVCBZBTPEF-SFHVURJKSA-N 2 0 333.476 1.593 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[NH2+]CCOC1 ZINC000649311008 451989807 /nfs/dbraw/zinc/98/98/07/451989807.db2.gz TVFIYMZGZATUAZ-IBGZPJMESA-N 2 0 345.487 1.915 20 0 EDADRP CC(C)(C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000649321408 451999364 /nfs/dbraw/zinc/99/93/64/451999364.db2.gz WUUJIHTZISMYSL-KZNAEPCWSA-N 2 0 345.487 1.770 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649327573 452007899 /nfs/dbraw/zinc/00/78/99/452007899.db2.gz AIAOWFRZZVMLOB-UHFFFAOYSA-N 2 0 334.464 1.112 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])CCCC2)CC1 ZINC000649328291 452008037 /nfs/dbraw/zinc/00/80/37/452008037.db2.gz MEIUGGWRCNHGCX-DOTOQJQBSA-N 2 0 337.508 1.901 20 0 EDADRP C[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H](C)[NH+]1CCO ZINC000639664936 452008721 /nfs/dbraw/zinc/00/87/21/452008721.db2.gz TWJWLFSBFFZEAG-WSTZPKSXSA-N 2 0 347.503 1.010 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCOCC1 ZINC000649332258 452013201 /nfs/dbraw/zinc/01/32/01/452013201.db2.gz KVIJNXDAWICKDF-AWEZNQCLSA-N 2 0 325.840 1.567 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000649344166 452024793 /nfs/dbraw/zinc/02/47/93/452024793.db2.gz AXSBXWDUSRBQBC-IRXDYDNUSA-N 2 0 337.508 1.760 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cnnn3-c3ccccc3)C2)CC1 ZINC000651709395 452027248 /nfs/dbraw/zinc/02/72/48/452027248.db2.gz VPSMWTNJSBUKNG-INIZCTEOSA-N 2 0 340.475 1.525 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351176 452035458 /nfs/dbraw/zinc/03/54/58/452035458.db2.gz XFTSJWAPPGULMW-QRVBRYPASA-N 2 0 342.487 1.061 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000647088033 452053139 /nfs/dbraw/zinc/05/31/39/452053139.db2.gz CAQMMGXVYPMLOA-ZWKOTPCHSA-N 2 0 337.508 1.852 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000649411089 452074205 /nfs/dbraw/zinc/07/42/05/452074205.db2.gz ODGLSOKDWKCUMN-IEBWSBKVSA-N 2 0 333.476 1.534 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000649411941 452075338 /nfs/dbraw/zinc/07/53/38/452075338.db2.gz XFLJWKMPAVHWAN-PMACEKPBSA-N 3 0 333.520 1.970 20 0 EDADRP Cc1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)n(C)n1 ZINC000649418231 452080696 /nfs/dbraw/zinc/08/06/96/452080696.db2.gz LOUAHAZKPDKDHI-BBWFWOEESA-N 2 0 345.491 1.545 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799977 452088786 /nfs/dbraw/zinc/08/87/86/452088786.db2.gz UNXQBDXXXFCBKU-HKUYNNGSSA-N 2 0 333.476 1.941 20 0 EDADRP Cc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc(=O)n2c1 ZINC000639758419 452096040 /nfs/dbraw/zinc/09/60/40/452096040.db2.gz SPMGZJBMKOHFQR-UHFFFAOYSA-N 2 0 326.444 1.921 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccnn3-c3ccccn3)C2)CC1 ZINC000647182760 452110770 /nfs/dbraw/zinc/11/07/70/452110770.db2.gz RNYNLMAALJWLJP-INIZCTEOSA-N 2 0 340.475 1.525 20 0 EDADRP OC[C@H]1CCCCC[N@@H+]1CC1(C[NH+]2CCCCC[C@H]2CO)COC1 ZINC000653783338 452113649 /nfs/dbraw/zinc/11/36/49/452113649.db2.gz IRGCQBQJYBVNEH-HDICACEKSA-N 2 0 340.508 1.477 20 0 EDADRP CN(C)c1ncccc1O[C@@H]1CCN(Cc2cc3n(n2)CCC3)C1 ZINC000649611673 452167471 /nfs/dbraw/zinc/16/74/71/452167471.db2.gz GAJZGIRMLRTRJI-MRXNPFEDSA-N 2 0 327.432 1.944 20 0 EDADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CCOc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486374 452230477 /nfs/dbraw/zinc/23/04/77/452230477.db2.gz IZDKQLYCNCOIAQ-IRXDYDNUSA-N 2 0 343.471 1.697 20 0 EDADRP C[N@H+](CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C1CCCC1 ZINC000645267164 452244936 /nfs/dbraw/zinc/24/49/36/452244936.db2.gz HBEBRYHYAFQLKA-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCN(CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000641787799 452263779 /nfs/dbraw/zinc/26/37/79/452263779.db2.gz PXSJGQUOHPDXDV-HKUYNNGSSA-N 2 0 338.540 1.103 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000659423698 452264734 /nfs/dbraw/zinc/26/47/34/452264734.db2.gz MCYZGOSDGUPTGQ-UHFFFAOYSA-N 2 0 328.460 1.784 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000659426815 452269897 /nfs/dbraw/zinc/26/98/97/452269897.db2.gz DWMFEAWKKYVWKM-GOEBONIOSA-N 2 0 334.464 1.739 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1(C)C ZINC000641799467 452275256 /nfs/dbraw/zinc/27/52/56/452275256.db2.gz NWZZQXMEZUDUMN-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP CO[C@]1(C[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)CCOC1 ZINC000638031769 452281601 /nfs/dbraw/zinc/28/16/01/452281601.db2.gz AHNQNBZUNZFAHI-FQEVSTJZSA-N 2 0 347.503 1.542 20 0 EDADRP CCCN(C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645304364 452283029 /nfs/dbraw/zinc/28/30/29/452283029.db2.gz SEVSMPRBEQPQTA-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)NCC12CC(C1)C[NH2+]2 ZINC000659455454 452304879 /nfs/dbraw/zinc/30/48/79/452304879.db2.gz ZELRDJWGDBBGKP-HFCFLWKCSA-N 2 0 328.460 1.702 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[C@@H](C)C1 ZINC000659456980 452308685 /nfs/dbraw/zinc/30/86/85/452308685.db2.gz VELKPRBCPUPGOC-JJXSEGSLSA-N 2 0 344.475 1.204 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000659458134 452310010 /nfs/dbraw/zinc/31/00/10/452310010.db2.gz PKXVKTXZTFGFSV-QZTJIDSGSA-N 2 0 334.508 1.892 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638048529 452318439 /nfs/dbraw/zinc/31/84/39/452318439.db2.gz RLEJWKCJAQNBFA-PKOBYXMFSA-N 2 0 331.460 1.534 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652128207 452323378 /nfs/dbraw/zinc/32/33/78/452323378.db2.gz SCIXNGNRXMTCFB-KLHDSHLOSA-N 2 0 326.485 1.112 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1 ZINC000638051254 452324541 /nfs/dbraw/zinc/32/45/41/452324541.db2.gz ZJRLTPKWVPFBSP-MJGOQNOKSA-N 2 0 341.455 1.984 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638054331 452334398 /nfs/dbraw/zinc/33/43/98/452334398.db2.gz OEMMKIUHKXAZQF-IEBWSBKVSA-N 2 0 333.476 1.912 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000652150481 452343255 /nfs/dbraw/zinc/34/32/55/452343255.db2.gz YADWIDKQUXCUMV-HNNXBMFYSA-N 2 0 338.427 1.194 20 0 EDADRP C[C@]1(NC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[NH2+]C1 ZINC000663615066 452347403 /nfs/dbraw/zinc/34/74/03/452347403.db2.gz DHPQVNOVZQSWNQ-IBGZPJMESA-N 2 0 344.459 1.479 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)CN1CC[NH2+]CC1 ZINC000638059573 452347535 /nfs/dbraw/zinc/34/75/35/452347535.db2.gz HBYILHBQWNCALZ-UHFFFAOYSA-N 2 0 334.464 1.251 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000652158968 452352537 /nfs/dbraw/zinc/35/25/37/452352537.db2.gz OIMAXOJANMUUEU-INIZCTEOSA-N 2 0 347.507 1.089 20 0 EDADRP CCn1nnc(C)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657594486 452359782 /nfs/dbraw/zinc/35/97/82/452359782.db2.gz ATNICQMLRIJPMX-QGZVFWFLSA-N 2 0 329.448 1.463 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CCCC[NH2+]1 ZINC000638063192 452360818 /nfs/dbraw/zinc/36/08/18/452360818.db2.gz AJSXALYEAJFFNO-IBGZPJMESA-N 2 0 346.475 1.321 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)cn1 ZINC000638070928 452376224 /nfs/dbraw/zinc/37/62/24/452376224.db2.gz YDHRHWPGPLMOHR-UHFFFAOYSA-N 2 0 325.416 1.114 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000659514377 452377774 /nfs/dbraw/zinc/37/77/74/452377774.db2.gz IOFLGCBLMZWCEY-UKRRQHHQSA-N 2 0 338.427 1.189 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000659515610 452380782 /nfs/dbraw/zinc/38/07/82/452380782.db2.gz CKHMDHRDIYTBBE-QGZVFWFLSA-N 2 0 331.464 1.345 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000659530107 452393138 /nfs/dbraw/zinc/39/31/38/452393138.db2.gz NISJCEYPFRQMLF-KRWDZBQOSA-N 2 0 330.476 1.826 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCO1 ZINC000659557635 452415060 /nfs/dbraw/zinc/41/50/60/452415060.db2.gz UBLIUTLFORUHMU-MWDXBVQZSA-N 2 0 338.496 1.127 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000652225111 452417214 /nfs/dbraw/zinc/41/72/14/452417214.db2.gz QGBUECZSUGZEPR-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP CC[N@H+](CCCNC(=O)N1CCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000652227353 452418697 /nfs/dbraw/zinc/41/86/97/452418697.db2.gz DYBHJNGPGFECCR-MRXNPFEDSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)[C@H]1C ZINC000659567220 452421212 /nfs/dbraw/zinc/42/12/12/452421212.db2.gz SJDKWEHWNRQQOB-HOTGVXAUSA-N 2 0 345.491 1.685 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[C@@H]1[NH3+] ZINC000659575846 452430979 /nfs/dbraw/zinc/43/09/79/452430979.db2.gz CIHLZXJTAMMKJU-XOYOTBSWSA-N 2 0 330.476 1.901 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663693502 452431800 /nfs/dbraw/zinc/43/18/00/452431800.db2.gz OZXOXEDXUNGVTI-DOTOQJQBSA-N 2 0 340.512 1.203 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@H]2C1 ZINC000659578535 452434048 /nfs/dbraw/zinc/43/40/48/452434048.db2.gz DKZNHKLWNYJWGX-MANSERQUSA-N 2 0 342.487 1.868 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659589232 452445324 /nfs/dbraw/zinc/44/53/24/452445324.db2.gz NJYHLQIHMPISRX-JENIJYKNSA-N 2 0 346.450 1.666 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CC[C@@H]21 ZINC000652276214 452464191 /nfs/dbraw/zinc/46/41/91/452464191.db2.gz MDVNIRNOUSQHPN-RDJZCZTQSA-N 2 0 334.439 1.910 20 0 EDADRP CCN(C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663765427 452493968 /nfs/dbraw/zinc/49/39/68/452493968.db2.gz XPRZCTVUFNQXMI-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652321626 452495117 /nfs/dbraw/zinc/49/51/17/452495117.db2.gz KCTWTBIBHGJOJI-UHFFFAOYSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000659635172 452499731 /nfs/dbraw/zinc/49/97/31/452499731.db2.gz FZVNPPNQFNXZMD-OAHLLOKOSA-N 2 0 333.480 1.937 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NCc3ccc(F)cc3)C2)C1 ZINC000652345458 452520587 /nfs/dbraw/zinc/52/05/87/452520587.db2.gz CEUMCXWPVIKNAN-JQHSSLGASA-N 2 0 349.450 1.660 20 0 EDADRP O=C1NC2(CCCCC2)C(=O)N1CCC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647788545 452522817 /nfs/dbraw/zinc/52/28/17/452522817.db2.gz LUZNJPXXUWSWOK-BZUAXINKSA-N 2 0 348.491 1.609 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)NCc1ccccc1 ZINC000647791928 452523914 /nfs/dbraw/zinc/52/39/14/452523914.db2.gz QOBBCXBYKRRKTI-IXDOHACOSA-N 2 0 337.489 1.084 20 0 EDADRP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cnc1N1CCOCC1 ZINC000647794704 452526351 /nfs/dbraw/zinc/52/63/51/452526351.db2.gz BIGVGTHPOMDTHL-ARFHVFGLSA-N 2 0 334.439 1.535 20 0 EDADRP O[C@@H]1CCC[C@H]1[NH+]1CCC(NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655734036 452545865 /nfs/dbraw/zinc/54/58/65/452545865.db2.gz XVNDQRJEJNCDRQ-GUDVDZBRSA-N 2 0 337.508 1.207 20 0 EDADRP CCCS(=O)(=O)NC1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000647880319 452618231 /nfs/dbraw/zinc/61/82/31/452618231.db2.gz GAEWFAOYLRHUJS-UHFFFAOYSA-N 2 0 331.526 1.560 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C1=O ZINC000666123825 452619880 /nfs/dbraw/zinc/61/98/80/452619880.db2.gz OACUKYDAOLVELC-LAIHZFQQSA-N 2 0 333.476 1.434 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647902834 452645037 /nfs/dbraw/zinc/64/50/37/452645037.db2.gz COSPUYBFNOXTLT-SJORKVTESA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659752297 452650652 /nfs/dbraw/zinc/65/06/52/452650652.db2.gz MBYBKBGHIFONKX-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2sccn21 ZINC000647977040 452721376 /nfs/dbraw/zinc/72/13/76/452721376.db2.gz XJLOMECRZVKEGY-UONOGXRCSA-N 2 0 332.473 1.968 20 0 EDADRP Cc1c(N(C)C[C@H]2CCC[N@@H+]2C)ncnc1N(C)C[C@@H]1CCC[NH+]1C ZINC000664029261 452729235 /nfs/dbraw/zinc/72/92/35/452729235.db2.gz MFCWCBIBNWGORC-CALCHBBNSA-N 2 0 346.523 1.846 20 0 EDADRP CC(C)CNC(=O)CCC[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000659844927 452730210 /nfs/dbraw/zinc/73/02/10/452730210.db2.gz LIKPIAWTJKWTKQ-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000655971159 452752780 /nfs/dbraw/zinc/75/27/80/452752780.db2.gz UPGFMZVXMSKZOB-QMHWVQJVSA-N 2 0 326.485 1.253 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971156 452752943 /nfs/dbraw/zinc/75/29/43/452752943.db2.gz UOHGGUKIGIUMMD-SOUVJXGZSA-N 2 0 326.485 1.255 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000658164802 452765374 /nfs/dbraw/zinc/76/53/74/452765374.db2.gz FQCXGKBZBBPZTB-SFHVURJKSA-N 2 0 328.464 1.954 20 0 EDADRP COc1c(C)cccc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000654677841 452793915 /nfs/dbraw/zinc/79/39/15/452793915.db2.gz MSUNYVMPLPMXJM-UHFFFAOYSA-N 2 0 336.480 1.638 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N(Cc2cccnc2)C[C@H]2CC[NH2+]C2)CC1 ZINC000648114780 452831505 /nfs/dbraw/zinc/83/15/05/452831505.db2.gz CMWWJKUBFMGREX-AOCRQIFASA-N 2 0 346.475 1.306 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[NH2+]CCC1(F)F ZINC000648153684 452865092 /nfs/dbraw/zinc/86/50/92/452865092.db2.gz YZCNJBZVTDJSRJ-OAHLLOKOSA-N 2 0 338.402 1.407 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000666431606 452865640 /nfs/dbraw/zinc/86/56/40/452865640.db2.gz XEWZKIVOSTUXFX-UHFFFAOYSA-N 2 0 344.503 1.535 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000645889550 452880957 /nfs/dbraw/zinc/88/09/57/452880957.db2.gz NYOLULOTANULJK-YHWZYXNKSA-N 2 0 325.372 1.021 20 0 EDADRP [NH3+]C1CCC(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CC1 ZINC000648177540 452889496 /nfs/dbraw/zinc/88/94/96/452889496.db2.gz GKUFCBMXBODHKJ-UHFFFAOYSA-N 2 0 346.475 1.427 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@@H]([NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000664219183 452894137 /nfs/dbraw/zinc/89/41/37/452894137.db2.gz QFUOQZZJTTXOSV-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000648187123 452898672 /nfs/dbraw/zinc/89/86/72/452898672.db2.gz KVOXGIOVLQQRBG-UONOGXRCSA-N 2 0 331.464 1.292 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC000660012037 452919955 /nfs/dbraw/zinc/91/99/55/452919955.db2.gz KGLRGDRKVQVINQ-KSZLIROESA-N 2 0 336.524 1.203 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)C1 ZINC000650706647 452942767 /nfs/dbraw/zinc/94/27/67/452942767.db2.gz PBUKDHTVEUELGQ-LMMKCTJWSA-N 2 0 341.459 1.986 20 0 EDADRP CN1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)[C@H](Cc2ccccc2)C1 ZINC000650720269 452949355 /nfs/dbraw/zinc/94/93/55/452949355.db2.gz KDPVPSIERFPWIW-RTBURBONSA-N 2 0 344.503 1.042 20 0 EDADRP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000650744956 452966381 /nfs/dbraw/zinc/96/63/81/452966381.db2.gz YWGRBKKLONUUDS-ZDUSSCGKSA-N 2 0 325.478 1.717 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000652813426 452972386 /nfs/dbraw/zinc/97/23/86/452972386.db2.gz CPJAXHWXWWDDAD-QYZOEREBSA-N 2 0 343.471 1.583 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664296393 452975299 /nfs/dbraw/zinc/97/52/99/452975299.db2.gz KRCGYUFPCBLFRG-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CN(CC1C[NH+](C)C1)c1ncc(C2CC2)c(N(C)CC2C[NH+](C)C2)n1 ZINC000664330190 453005104 /nfs/dbraw/zinc/00/51/04/453005104.db2.gz KADYPWVIGBIAAA-UHFFFAOYSA-N 2 0 344.507 1.350 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2c3ccccc3CC[C@H]2C[NH3+])CC1 ZINC000662304778 453025337 /nfs/dbraw/zinc/02/53/37/453025337.db2.gz LJCQDMXQBISURK-KRWDZBQOSA-N 2 0 330.476 1.367 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000654923368 453039253 /nfs/dbraw/zinc/03/92/53/453039253.db2.gz MRVREXDDBQIUDF-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2C(=O)[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000644131481 453068899 /nfs/dbraw/zinc/06/88/99/453068899.db2.gz LHDXYCPLWWJPMO-JKSUJKDBSA-N 2 0 337.414 1.967 20 0 EDADRP C[C@H]1CN(c2ccccc2F)CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666699065 453077316 /nfs/dbraw/zinc/07/73/16/453077316.db2.gz IWOQOVXHXRJPLM-HOTGVXAUSA-N 2 0 348.466 1.534 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000662379614 453087098 /nfs/dbraw/zinc/08/70/98/453087098.db2.gz GCLFEOBAOKBZCE-RVKKMQEKSA-N 2 0 333.476 1.910 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000662384336 453091419 /nfs/dbraw/zinc/09/14/19/453091419.db2.gz WASGFBVGAHZIOP-SFHVURJKSA-N 2 0 332.492 1.621 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000666754435 453117653 /nfs/dbraw/zinc/11/76/53/453117653.db2.gz NHDIWPLEYPBLAC-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000646111994 453118091 /nfs/dbraw/zinc/11/80/91/453118091.db2.gz DGIUFZGBRVJLOO-QGZVFWFLSA-N 2 0 331.460 1.258 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000662408124 453119443 /nfs/dbraw/zinc/11/94/43/453119443.db2.gz LLYGPUFJKXHODW-KRWDZBQOSA-N 2 0 334.464 1.125 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662442784 453150650 /nfs/dbraw/zinc/15/06/50/453150650.db2.gz YFNJCTHWJJHZLE-MSOLQXFVSA-N 2 0 345.487 1.906 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000662475763 453189151 /nfs/dbraw/zinc/18/91/51/453189151.db2.gz OSAKSRQJZQWVID-SJORKVTESA-N 2 0 346.475 1.789 20 0 EDADRP [NH3+][C@H](c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@@H]1CCCO1 ZINC000656468778 453205020 /nfs/dbraw/zinc/20/50/20/453205020.db2.gz SHNVEGOQWDVPGA-NZSAHSFTSA-N 2 0 341.459 1.979 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)N3CCN([C@H]4CC[NH2+]C4)CC3)cc21 ZINC000662517664 453236292 /nfs/dbraw/zinc/23/62/92/453236292.db2.gz NWKWTMLOOKRCLU-ROUUACIJSA-N 2 0 342.487 1.185 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCC1)c1ccccc1 ZINC000646224650 453236263 /nfs/dbraw/zinc/23/62/63/453236263.db2.gz ZZRHRLRHGHZFGL-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[N@H+]1CCO ZINC000648756459 453237700 /nfs/dbraw/zinc/23/77/00/453237700.db2.gz GNCHHSUBLMYVQB-CALCHBBNSA-N 2 0 335.492 1.514 20 0 EDADRP F[C@@H]1C[NH2+][C@H](CNCc2cc3c(c(Br)c2)OCO3)C1 ZINC000666943421 453266493 /nfs/dbraw/zinc/26/64/93/453266493.db2.gz FMNRJZCOZIDKCO-UWVGGRQHSA-N 2 0 331.185 1.967 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)COCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000646277763 453283193 /nfs/dbraw/zinc/28/31/93/453283193.db2.gz JAWXUFQPUJDRTB-MLGOLLRUSA-N 2 0 343.830 1.563 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150674 453338573 /nfs/dbraw/zinc/33/85/73/453338573.db2.gz JZHLBPQFEAJLOL-LSDHHAIUSA-N 2 0 326.872 1.338 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651197400 453351118 /nfs/dbraw/zinc/35/11/18/453351118.db2.gz HVLQMBJWYVGOGB-JQHSSLGASA-N 2 0 337.508 1.580 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646378366 453356998 /nfs/dbraw/zinc/35/69/98/453356998.db2.gz JMHWKJJLWIIKDE-OWCLPIDISA-N 2 0 346.479 1.054 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000653182679 453374091 /nfs/dbraw/zinc/37/40/91/453374091.db2.gz VYKVSHYTQVYCSH-HNNXBMFYSA-N 2 0 325.840 1.567 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000653202940 453398212 /nfs/dbraw/zinc/39/82/12/453398212.db2.gz VTPIGKOFVQOYPB-VYHSGFQXSA-N 2 0 327.472 1.962 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662680738 453400549 /nfs/dbraw/zinc/40/05/49/453400549.db2.gz XDQMMQVWYPSAFU-OAGGEKHMSA-N 2 0 348.495 1.443 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000667094532 453401259 /nfs/dbraw/zinc/40/12/59/453401259.db2.gz YJFQCZDUDMPVCG-INIZCTEOSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C[NH+]1CCCCC1 ZINC000662690476 453410002 /nfs/dbraw/zinc/41/00/02/453410002.db2.gz NTJMOGASIJLEPV-HZPDHXFCSA-N 2 0 348.495 1.445 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662701485 453423314 /nfs/dbraw/zinc/42/33/14/453423314.db2.gz QUIKMHBXEJDION-KSZLIROESA-N 2 0 331.460 1.031 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662707816 453429781 /nfs/dbraw/zinc/42/97/81/453429781.db2.gz IFSQDGCFOCDTQD-WMZOPIPTSA-N 2 0 329.444 1.591 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000653246870 453430798 /nfs/dbraw/zinc/43/07/98/453430798.db2.gz BPAVMRZMYNJXMT-GUDVDZBRSA-N 2 0 345.487 1.721 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H]1C[NH3+] ZINC000653246922 453432753 /nfs/dbraw/zinc/43/27/53/453432753.db2.gz DLIZIZDXJWGHQV-KZNAEPCWSA-N 2 0 346.475 1.116 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662720023 453443789 /nfs/dbraw/zinc/44/37/89/453443789.db2.gz OVIYTIDIZJQGCR-HNNXBMFYSA-N 2 0 349.397 1.290 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH3+])c2)CC[N@@H+](C2CC2)C1 ZINC000667171424 453451594 /nfs/dbraw/zinc/45/15/94/453451594.db2.gz YKCSKIBMKORYLS-ZDUSSCGKSA-N 2 0 330.432 1.027 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000662741185 453465633 /nfs/dbraw/zinc/46/56/33/453465633.db2.gz DGYMQHVOFGAXTM-WMZOPIPTSA-N 2 0 332.492 1.307 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)([NH+]2CCCCC2)CC1 ZINC000662755579 453492592 /nfs/dbraw/zinc/49/25/92/453492592.db2.gz CDLPUTCAUSLBEQ-INIZCTEOSA-N 2 0 336.524 1.441 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH+](CC3CC3)CC2)C1 ZINC000660706350 453531789 /nfs/dbraw/zinc/53/17/89/453531789.db2.gz OVMPDIZEROCIOI-QGZVFWFLSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](OC(C)(C)C)C1 ZINC000667308790 453549350 /nfs/dbraw/zinc/54/93/50/453549350.db2.gz ZUIOEFPUPORZFH-SHTZXODSSA-N 2 0 328.501 1.467 20 0 EDADRP O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831819 453557380 /nfs/dbraw/zinc/55/73/80/453557380.db2.gz CLWCTGWEOLTEPY-RBUKOAKNSA-N 2 0 343.471 1.414 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000658997080 453572679 /nfs/dbraw/zinc/57/26/79/453572679.db2.gz UFARUCKHAIXLTR-MRXNPFEDSA-N 2 0 348.495 1.688 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000662857353 453573112 /nfs/dbraw/zinc/57/31/12/453573112.db2.gz AIVYUTWCAGFWHD-KURKYZTESA-N 2 0 331.460 1.387 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000662871316 453581681 /nfs/dbraw/zinc/58/16/81/453581681.db2.gz WYXJANCVOFBYPT-XNRPHZJLSA-N 2 0 337.439 1.784 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659020499 453583475 /nfs/dbraw/zinc/58/34/75/453583475.db2.gz MIRGROIMJUIBSE-INIZCTEOSA-N 2 0 348.447 1.399 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659031113 453588934 /nfs/dbraw/zinc/58/89/34/453588934.db2.gz KGGHXCJOZCJANZ-KRWDZBQOSA-N 2 0 332.448 1.905 20 0 EDADRP CC[N@H+](CCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)C1CC1 ZINC000659034972 453591411 /nfs/dbraw/zinc/59/14/11/453591411.db2.gz SDPPKKISOXRSGI-KRWDZBQOSA-N 2 0 332.448 1.953 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000659091053 453625295 /nfs/dbraw/zinc/62/52/95/453625295.db2.gz MLSXQHXKSUUKIY-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659096824 453629191 /nfs/dbraw/zinc/62/91/91/453629191.db2.gz WTKFQPMATPQOSX-AWEZNQCLSA-N 2 0 332.448 1.334 20 0 EDADRP CS(=O)(=O)C1(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CCCCC1 ZINC000665263221 453629614 /nfs/dbraw/zinc/62/96/14/453629614.db2.gz IPCBZDCNEULIBQ-HRCADAONSA-N 2 0 344.521 1.481 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CCO1 ZINC000662972745 453630495 /nfs/dbraw/zinc/63/04/95/453630495.db2.gz LDSKKRCKCYTHCH-SJORKVTESA-N 2 0 337.439 1.437 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1(C)C ZINC000662973151 453631855 /nfs/dbraw/zinc/63/18/55/453631855.db2.gz OQGXFDOBAFSUEC-RKVPGOIHSA-N 2 0 341.496 1.088 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(CO)c2)CC1 ZINC000665287218 453635976 /nfs/dbraw/zinc/63/59/76/453635976.db2.gz FNGVEJLQNMYZGJ-OAHLLOKOSA-N 2 0 333.476 1.820 20 0 EDADRP C[C@@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000665290888 453638397 /nfs/dbraw/zinc/63/83/97/453638397.db2.gz NVURJPKZFJMYAX-CYBMUJFWSA-N 2 0 345.447 1.432 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)CCO2 ZINC000665356094 453664506 /nfs/dbraw/zinc/66/45/06/453664506.db2.gz GKSJMFTUQQTCED-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000665356451 453664536 /nfs/dbraw/zinc/66/45/36/453664536.db2.gz PLTRYSUUSVXABK-LSDHHAIUSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035875 453689067 /nfs/dbraw/zinc/68/90/67/453689067.db2.gz BDYZNPDIYZMPET-HZPDHXFCSA-N 2 0 339.528 1.184 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000661100807 453715673 /nfs/dbraw/zinc/71/56/73/453715673.db2.gz WVGMJNSHSZHZML-KRWDZBQOSA-N 2 0 330.476 1.712 20 0 EDADRP COC[C@H]([NH2+]CCCN1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000661157860 453740149 /nfs/dbraw/zinc/74/01/49/453740149.db2.gz JVJMYPJFPJUXOZ-SFHVURJKSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556558 453749231 /nfs/dbraw/zinc/74/92/31/453749231.db2.gz ZKTXNMDGAYSTOE-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657353999 453773089 /nfs/dbraw/zinc/77/30/89/453773089.db2.gz MSNKLVIXKTYZMU-APWZRJJASA-N 2 0 333.476 1.580 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)c(O)c2)CC1 ZINC000663501914 453811331 /nfs/dbraw/zinc/81/13/31/453811331.db2.gz CARSQAYERUUJFZ-UHFFFAOYSA-N 2 0 335.448 1.481 20 0 EDADRP CCOc1cccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)n1 ZINC000663503094 453811490 /nfs/dbraw/zinc/81/14/90/453811490.db2.gz DGCHQLUHSRHERF-UHFFFAOYSA-N 2 0 334.464 1.561 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2nn(C)c(C)c2Cl)CC1 ZINC000663506105 453811874 /nfs/dbraw/zinc/81/18/74/453811874.db2.gz PWRZZAACBOEGKW-UHFFFAOYSA-N 2 0 341.887 1.462 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000671307931 486651144 /nfs/dbraw/zinc/65/11/44/486651144.db2.gz ZDFUYPBYBPJOFV-IAGOWNOFSA-N 2 0 335.492 1.514 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000680005870 486693367 /nfs/dbraw/zinc/69/33/67/486693367.db2.gz GZCDKHLSWHRODI-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)NCCC[NH+](C)C)CC2)CC1 ZINC000676383010 486751428 /nfs/dbraw/zinc/75/14/28/486751428.db2.gz LMVYNXABBXQZEI-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC2)C1 ZINC000676698074 486845154 /nfs/dbraw/zinc/84/51/54/486845154.db2.gz LJEWVAVTWXYBTP-MOPGFXCFSA-N 2 0 348.535 1.632 20 0 EDADRP CCN(CCNC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000673034177 486888097 /nfs/dbraw/zinc/88/80/97/486888097.db2.gz GNSZDGUANBIIPQ-JKSUJKDBSA-N 2 0 342.528 1.124 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cccc(-n2cnnn2)c1 ZINC000681141742 486949261 /nfs/dbraw/zinc/94/92/61/486949261.db2.gz PZUNDDHVQUAIKP-HZPDHXFCSA-N 2 0 343.479 1.339 20 0 EDADRP O=C(c1cccc(C[NH+]2CCCC2)c1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673515916 487038277 /nfs/dbraw/zinc/03/82/77/487038277.db2.gz OMZLHMGPJKTXBY-RBUKOAKNSA-N 2 0 343.471 1.564 20 0 EDADRP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000673670701 487085458 /nfs/dbraw/zinc/08/54/58/487085458.db2.gz NKXWOBORDSKRHW-OXJNMPFZSA-N 2 0 345.487 1.470 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000684574940 487103850 /nfs/dbraw/zinc/10/38/50/487103850.db2.gz DQOPRLMZPDHNON-UHFFFAOYSA-N 2 0 328.416 1.541 20 0 EDADRP CCC(=O)N1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC000673852040 487133108 /nfs/dbraw/zinc/13/31/08/487133108.db2.gz VKPYMVUAZFHZMH-UHFFFAOYSA-N 2 0 348.491 1.903 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000677712145 487155550 /nfs/dbraw/zinc/15/55/50/487155550.db2.gz OSTNLFAKUOXEKI-GOSISDBHSA-N 2 0 336.524 1.488 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@@H]1CCC[C@@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000673992383 487178905 /nfs/dbraw/zinc/17/89/05/487178905.db2.gz FLOSYCSODNZIFC-HZPDHXFCSA-N 2 0 340.512 1.068 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccn(C(F)F)n1 ZINC000678842406 487371075 /nfs/dbraw/zinc/37/10/75/487371075.db2.gz LGBJBPNKQIHCCE-UHFFFAOYSA-N 2 0 331.411 1.624 20 0 EDADRP C[C@@H](C(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000678862286 487373191 /nfs/dbraw/zinc/37/31/91/487373191.db2.gz BXQOHKSVRQITGO-VGWMRTNUSA-N 2 0 340.512 1.115 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCN1C(=O)CCC1=O ZINC000682533302 487383519 /nfs/dbraw/zinc/38/35/19/487383519.db2.gz FFUZUYANFXQXEK-HZPDHXFCSA-N 2 0 343.471 1.882 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NCCN2Cc3ccccc3C2)CC1 ZINC000675421224 487406266 /nfs/dbraw/zinc/40/62/66/487406266.db2.gz WGNKSDZYBIWHDV-UHFFFAOYSA-N 2 0 346.475 1.100 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCS2(=O)=O)cc1 ZINC000675763187 487442472 /nfs/dbraw/zinc/44/24/72/487442472.db2.gz IJXJOILRRUCRJV-INIZCTEOSA-N 2 0 326.462 1.294 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1)C1CC[NH+](C)CC1 ZINC000675855467 487452775 /nfs/dbraw/zinc/45/27/75/487452775.db2.gz ZWWCQRAMZXLRGN-GOEBONIOSA-N 2 0 330.476 1.684 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC/C=C\C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554177 485553811 /nfs/dbraw/zinc/55/38/11/485553811.db2.gz NNOSJIABUXGYMG-CJBXHNHZSA-N 2 0 344.459 1.787 20 0 EDADRP C[C@H](NC(=O)NC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669554651 485554175 /nfs/dbraw/zinc/55/41/75/485554175.db2.gz IKRZXJFSGVJHKZ-RDJZCZTQSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669573792 485606098 /nfs/dbraw/zinc/60/60/98/485606098.db2.gz YIOOVHDDAXQMTN-CGTJXYLNSA-N 2 0 346.475 1.266 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000456877600 485647859 /nfs/dbraw/zinc/64/78/59/485647859.db2.gz IHGMUARJBUTUDN-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP Cc1c[nH]nc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000669599388 485672528 /nfs/dbraw/zinc/67/25/28/485672528.db2.gz PVOPINPIBHGTNE-UHFFFAOYSA-N 2 0 328.420 1.055 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000673770736 485722258 /nfs/dbraw/zinc/72/22/58/485722258.db2.gz DNWIRFLHTWPFPA-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@@H]1CC[N@H+](CC)C1 ZINC000669145103 485733826 /nfs/dbraw/zinc/73/38/26/485733826.db2.gz IVNVZLDDKRPQFF-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC/C=C\C[NH3+])[NH+]2CCCC2)cc1 ZINC000668592641 485928681 /nfs/dbraw/zinc/92/86/81/485928681.db2.gz KOGRUZYWUQXKPB-BAHPRDJBSA-N 2 0 332.448 1.646 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000668623243 485963497 /nfs/dbraw/zinc/96/34/97/485963497.db2.gz GEEFGRLDBZNTGN-LZWOXQAQSA-N 2 0 336.436 1.174 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000668661121 486009469 /nfs/dbraw/zinc/00/94/69/486009469.db2.gz KJPIFSHIQKDEGH-KBAYOESNSA-N 2 0 348.491 1.827 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000669367596 486014307 /nfs/dbraw/zinc/01/43/07/486014307.db2.gz UTODNYBYVKWBDM-INIZCTEOSA-N 2 0 345.491 1.248 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669426299 486147206 /nfs/dbraw/zinc/14/72/06/486147206.db2.gz GUKMSIWDUPUUTM-NVXWUHKLSA-N 2 0 346.475 1.520 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000669426285 486147494 /nfs/dbraw/zinc/14/74/94/486147494.db2.gz BVODVJVPGLIILS-DLBZAZTESA-N 2 0 346.475 1.378 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3([NH3+])CCCC3)ccc2oc1=O ZINC000178745498 486180447 /nfs/dbraw/zinc/18/04/47/486180447.db2.gz CAFKRBHBAPJXNB-UHFFFAOYSA-N 2 0 332.404 1.366 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H](C)C1CC[NH+](C)CC1)C(C)C ZINC000670504164 486599067 /nfs/dbraw/zinc/59/90/67/486599067.db2.gz AAJALSZLBJWPAM-OAHLLOKOSA-N 2 0 340.512 1.068 20 0 EDADRP CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092100171 491202238 /nfs/dbraw/zinc/20/22/38/491202238.db2.gz LRCMKONNMAVBSH-GOSISDBHSA-N 2 0 331.460 1.872 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000167413621 534658908 /nfs/dbraw/zinc/65/89/08/534658908.db2.gz YTLSUHYDRMQDIU-QGZVFWFLSA-N 2 0 331.460 1.259 20 0 EDADRP COc1cccc([C@@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[NH+](C)C)c1 ZINC000188693284 524094795 /nfs/dbraw/zinc/09/47/95/524094795.db2.gz LEXWMQBUKPRULD-MRXNPFEDSA-N 2 0 343.431 1.097 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000165995402 528037877 /nfs/dbraw/zinc/03/78/77/528037877.db2.gz JUEXYAZHRNJPDQ-TZMCWYRMSA-N 2 0 347.301 1.981 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000158761748 528993978 /nfs/dbraw/zinc/99/39/78/528993978.db2.gz PGPYASMSEZNPBS-SJLPKXTDSA-N 2 0 336.524 1.392 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000354207196 535163617 /nfs/dbraw/zinc/16/36/17/535163617.db2.gz SNBFEAOAXVYKEY-UHFFFAOYSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827099 535171068 /nfs/dbraw/zinc/17/10/68/535171068.db2.gz MAPNQXJRRPJUDL-IXDOHACOSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000345623865 535208172 /nfs/dbraw/zinc/20/81/72/535208172.db2.gz DILCSVQSQGKABX-UONOGXRCSA-N 2 0 325.478 1.576 20 0 EDADRP CC1=C(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCCO1 ZINC000270022740 535223466 /nfs/dbraw/zinc/22/34/66/535223466.db2.gz FTYZYKZSPOSNFO-UHFFFAOYSA-N 2 0 344.459 1.794 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000343686846 535330758 /nfs/dbraw/zinc/33/07/58/535330758.db2.gz FGFBPJGPLBDVNQ-UHFFFAOYSA-N 2 0 338.496 1.437 20 0 EDADRP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000351642047 535362106 /nfs/dbraw/zinc/36/21/06/535362106.db2.gz SYRNMXHBRZPNFN-JKSUJKDBSA-N 2 0 340.512 1.260 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)C1(C)C ZINC000249096594 535440409 /nfs/dbraw/zinc/44/04/09/535440409.db2.gz IIBWUSQBKHLYGU-IIDMSEBBSA-N 2 0 325.497 1.900 20 0 EDADRP CC[NH+]1CCC(NCc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000271718007 535473447 /nfs/dbraw/zinc/47/34/47/535473447.db2.gz PNSKEIMWWSFJJR-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000236843452 535495561 /nfs/dbraw/zinc/49/55/61/535495561.db2.gz BUUQFZKXOMMICL-UHFFFAOYSA-N 2 0 333.432 1.876 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)c1ccco1 ZINC000271096260 535677045 /nfs/dbraw/zinc/67/70/45/535677045.db2.gz JBQLVRAHKUVMIK-HZPDHXFCSA-N 2 0 337.464 1.747 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000262662254 535714891 /nfs/dbraw/zinc/71/48/91/535714891.db2.gz YYKXOCXBBTVWST-TVFCKZIOSA-N 2 0 336.524 1.297 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H](C[NH+](C)C)C2)ccc1F ZINC000130020856 535989231 /nfs/dbraw/zinc/98/92/31/535989231.db2.gz BGANSXUYZVQCQB-HNNXBMFYSA-N 2 0 336.455 1.980 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C3CC[NH2+]CC3)nc2)CC1 ZINC000262127239 536114564 /nfs/dbraw/zinc/11/45/64/536114564.db2.gz LPWCOMAQNGGXMA-UHFFFAOYSA-N 2 0 331.464 1.550 20 0 EDADRP COC[C@]1(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555628 536658122 /nfs/dbraw/zinc/65/81/22/536658122.db2.gz BNQFWTMWSHFYLJ-KPFFTGBYSA-N 2 0 345.487 1.639 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000247195870 536798422 /nfs/dbraw/zinc/79/84/22/536798422.db2.gz VZRDPUDSRPIFBW-PKOBYXMFSA-N 2 0 334.508 1.850 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CCC[C@H]2[NH3+])cc1 ZINC000261729456 536893051 /nfs/dbraw/zinc/89/30/51/536893051.db2.gz HMNUKAVUFBJPMU-OWLYRPNTSA-N 2 0 331.460 1.774 20 0 EDADRP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)[NH+]1CCCCC1 ZINC000741081819 579396612 /nfs/dbraw/zinc/39/66/12/579396612.db2.gz UGQLARNXBBVMOB-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP COc1cccc(COC[C@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000741384486 579414041 /nfs/dbraw/zinc/41/40/41/579414041.db2.gz BXZRTTSWQBUWDY-ZWKOTPCHSA-N 2 0 336.476 1.846 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC(N)=O)cc2)CC1 ZINC000729926886 578597870 /nfs/dbraw/zinc/59/78/70/578597870.db2.gz QWCPIGMMASYAJS-OAHLLOKOSA-N 2 0 349.475 1.075 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)/C=C\c1ncc[nH]1 ZINC000493121984 578635097 /nfs/dbraw/zinc/63/50/97/578635097.db2.gz SPWLCTIZGDSIRX-JDZPGQNUSA-N 2 0 342.447 1.698 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000732467267 578714251 /nfs/dbraw/zinc/71/42/51/578714251.db2.gz SXLULXFBERIBBD-UHFFFAOYSA-N 2 0 348.491 1.346 20 0 EDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000733165261 578745623 /nfs/dbraw/zinc/74/56/23/578745623.db2.gz AKEVUKFOWXRXKB-QZTJIDSGSA-N 2 0 332.492 1.996 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCCC[NH+]2CCCCCC2)cn1 ZINC000747554726 579648688 /nfs/dbraw/zinc/64/86/88/579648688.db2.gz FRPYMIFGOVLYTK-UHFFFAOYSA-N 2 0 336.484 1.832 20 0 EDADRP CN(C(=S)NCC[NH+](C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000748597009 579694367 /nfs/dbraw/zinc/69/43/67/579694367.db2.gz KRUBZBUHTROSFI-UHFFFAOYSA-N 2 0 349.548 1.456 20 0 EDADRP COCCC[N@@H+]1Cc2ccc(NC(=S)NCC[NH+](C)C)cc2C1 ZINC000751026730 579792080 /nfs/dbraw/zinc/79/20/80/579792080.db2.gz WPFIVCQIRFQQMX-UHFFFAOYSA-N 2 0 336.505 1.887 20 0 EDADRP CC(=O)OC1CC[NH+](CC[C@@H](C)[NH+]2CCC(OC(C)=O)CC2)CC1 ZINC000753191841 579874584 /nfs/dbraw/zinc/87/45/84/579874584.db2.gz VFGBBQWJVYJCPQ-CQSZACIVSA-N 2 0 340.464 1.820 20 0 EDADRP CCCC[C@H]1NC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782178 579934880 /nfs/dbraw/zinc/93/48/80/579934880.db2.gz YGDLIYOYAZAGMN-JKSUJKDBSA-N 2 0 336.480 1.718 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)N[C@](C)(C4CC4)C3=O)C2)CC1 ZINC000755781369 579934949 /nfs/dbraw/zinc/93/49/49/579934949.db2.gz VJDVVYWALYKUCB-RDTXWAMCSA-N 2 0 334.464 1.328 20 0 EDADRP CC[C@@]1(C2CC2)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000758244903 579978301 /nfs/dbraw/zinc/97/83/01/579978301.db2.gz XXTIRLVNLOBUFO-BEFAXECRSA-N 2 0 348.491 1.718 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCCCCCCC[NH+]2CCCC2)C1 ZINC000763121174 580093449 /nfs/dbraw/zinc/09/34/49/580093449.db2.gz LSFHAOSBZQMSHN-GOSISDBHSA-N 2 0 340.512 1.399 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC(=O)N2CCCC2)[C@H](C)C1 ZINC000764605875 580124540 /nfs/dbraw/zinc/12/45/40/580124540.db2.gz DYFPNGYEKHOPKS-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CC[C@](O)(c2nccn2C)C(F)(F)F)CC[N@@H+]1C ZINC000765279120 580139133 /nfs/dbraw/zinc/13/91/33/580139133.db2.gz FOSYRMVJEJJYQB-DYEKYZERSA-N 2 0 334.386 1.632 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000766120623 580159692 /nfs/dbraw/zinc/15/96/92/580159692.db2.gz ACCJKDPGVMAJPW-IEBWSBKVSA-N 2 0 347.503 1.322 20 0 EDADRP OC[C@H]1CSCC[NH+]1CCCCCC[N@H+]1CCSC[C@@H]1CO ZINC000767120368 580182066 /nfs/dbraw/zinc/18/20/66/580182066.db2.gz SDHGFPDAJWAQPP-HOTGVXAUSA-N 2 0 348.578 1.366 20 0 EDADRP C[C@H]([NH2+][C@@H](CCO)C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771803402 580294687 /nfs/dbraw/zinc/29/46/87/580294687.db2.gz RWGCNBIOFZUCMR-SNRMKQJTSA-N 2 0 345.487 1.516 20 0 EDADRP C[NH+](C)C1CC(NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000773485879 580338557 /nfs/dbraw/zinc/33/85/57/580338557.db2.gz FELRFTNOKLBSCI-UHFFFAOYSA-N 2 0 330.476 1.256 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000776596181 580423479 /nfs/dbraw/zinc/42/34/79/580423479.db2.gz LNGGOGPDXRPZMR-JXMROGBWSA-N 2 0 331.460 1.804 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000776821928 580429629 /nfs/dbraw/zinc/42/96/29/580429629.db2.gz KAWZFKBQFXTKTC-PMPSAXMXSA-N 2 0 327.469 1.290 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CCCCO)cc2)CC1 ZINC000788278676 580715775 /nfs/dbraw/zinc/71/57/75/580715775.db2.gz LAAXKHDECARTDG-UHFFFAOYSA-N 2 0 348.491 1.471 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCC1 ZINC000790290968 580766189 /nfs/dbraw/zinc/76/61/89/580766189.db2.gz RJPMLMMVNITIPM-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000799376605 581026861 /nfs/dbraw/zinc/02/68/61/581026861.db2.gz BQIYUKLMBZZJLC-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000891806108 590629207 /nfs/dbraw/zinc/62/92/07/590629207.db2.gz VPMPKBLAFPCOHM-MRXNPFEDSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)c1 ZINC000891816284 590633896 /nfs/dbraw/zinc/63/38/96/590633896.db2.gz VCJWIKIKOLIWJW-WMZOPIPTSA-N 2 0 346.475 1.473 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000891816298 590634420 /nfs/dbraw/zinc/63/44/20/590634420.db2.gz VKVZRKPGHHXCNU-AEFFLSMTSA-N 2 0 346.475 1.473 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CC(S(C)(=O)=O)C2)(N2CCCCC2)CC1 ZINC000893068711 590647332 /nfs/dbraw/zinc/64/73/32/590647332.db2.gz MVPPSCDEBBUIOF-UHFFFAOYSA-N 2 0 343.537 1.102 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857148 590657897 /nfs/dbraw/zinc/65/78/97/590657897.db2.gz ZAIZIDHIFFXWOY-JKSUJKDBSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893302410 590767220 /nfs/dbraw/zinc/76/72/20/590767220.db2.gz FZEJEBZAAUFSIS-HOCLYGCPSA-N 2 0 337.489 1.711 20 0 EDADRP C[N@H+](CCCO)C1CCN([C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892045692 590769581 /nfs/dbraw/zinc/76/95/81/590769581.db2.gz ZRYSXGDHQRHIRA-HZPDHXFCSA-N 2 0 330.444 1.399 20 0 EDADRP C[NH+]1CCC(C[NH2+]CCOc2ccc(NS(C)(=O)=O)cc2)CC1 ZINC000893306076 590769798 /nfs/dbraw/zinc/76/97/98/590769798.db2.gz WHMUNUHCBHOIBY-UHFFFAOYSA-N 2 0 341.477 1.368 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000892059965 590778832 /nfs/dbraw/zinc/77/88/32/590778832.db2.gz KWBRHISZNOGITD-MJGOQNOKSA-N 2 0 346.475 1.741 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892086420 590790443 /nfs/dbraw/zinc/79/04/43/590790443.db2.gz LMCXBTISCSCLCL-IBGZPJMESA-N 2 0 336.439 1.804 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC(=O)NCC[NH+]2CCCCC2)c1 ZINC000909327362 590806788 /nfs/dbraw/zinc/80/67/88/590806788.db2.gz VKKDKEFCYWDXFK-UHFFFAOYSA-N 2 0 346.475 1.080 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)NC[C@H]1C[NH2+]CCC1(F)F ZINC000892120883 590810387 /nfs/dbraw/zinc/81/03/87/590810387.db2.gz XGNWIQFAYMDWQL-HIFRSBDPSA-N 2 0 338.402 1.417 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000890897137 590838528 /nfs/dbraw/zinc/83/85/28/590838528.db2.gz PTVHEMCRVFQHPX-KRWDZBQOSA-N 2 0 326.529 1.495 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)CC1 ZINC000892190305 590855829 /nfs/dbraw/zinc/85/58/29/590855829.db2.gz AALLJPCXEKAWIG-IXDOHACOSA-N 2 0 334.508 1.892 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)CC1 ZINC000892190304 590855854 /nfs/dbraw/zinc/85/58/54/590855854.db2.gz AALLJPCXEKAWIG-GVDBMIGSSA-N 2 0 334.508 1.892 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC[C@H]21 ZINC000892252153 590887654 /nfs/dbraw/zinc/88/76/54/590887654.db2.gz FSPNNENCYRIAIL-WJFTUGDTSA-N 2 0 342.487 1.868 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000892329057 590951984 /nfs/dbraw/zinc/95/19/84/590951984.db2.gz BJKVSDHZJFVCAZ-IBGZPJMESA-N 2 0 328.460 1.617 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000892336122 590964235 /nfs/dbraw/zinc/96/42/35/590964235.db2.gz ZOSFNGMDLUBENW-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399962 591011940 /nfs/dbraw/zinc/01/19/40/591011940.db2.gz MDPUTFROMYFUOH-QZTJIDSGSA-N 2 0 332.492 1.930 20 0 EDADRP CN1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC[N@H+](C)CC1 ZINC000888993670 591013418 /nfs/dbraw/zinc/01/34/18/591013418.db2.gz BMPUFXWEQDKQNJ-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)C1 ZINC000892443444 591030531 /nfs/dbraw/zinc/03/05/31/591030531.db2.gz ZVLOPLBEULPUMN-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C2)cc1 ZINC000892529862 591059801 /nfs/dbraw/zinc/05/98/01/591059801.db2.gz DAVAZONAIBYFEK-QGZVFWFLSA-N 2 0 334.464 1.186 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC2CCC(C)([NH+](C)C)CC2)C[C@H]1C[NH3+] ZINC000892532068 591062495 /nfs/dbraw/zinc/06/24/95/591062495.db2.gz HIQZHMFHADPZRW-HCEZTOJASA-N 2 0 326.485 1.255 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000891365203 591062656 /nfs/dbraw/zinc/06/26/56/591062656.db2.gz HIMRMSONFZVVBF-NSHDSACASA-N 2 0 335.477 1.154 20 0 EDADRP CN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000892565137 591075291 /nfs/dbraw/zinc/07/52/91/591075291.db2.gz AGTYMANOBQJMQI-HAQNSBGRSA-N 2 0 336.402 1.782 20 0 EDADRP Cc1ccc(CN2CCO[C@H](CNC(=O)N3CC[NH2+][C@H](C)C3)C2)cc1 ZINC000892612216 591096143 /nfs/dbraw/zinc/09/61/43/591096143.db2.gz TWUNHVXSPIFCCE-SJLPKXTDSA-N 2 0 346.475 1.199 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](CCc2ccccc2)C1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891507959 591098764 /nfs/dbraw/zinc/09/87/64/591098764.db2.gz LDVYOWAMGYMGOB-QRVBRYPASA-N 2 0 342.487 1.697 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000891510382 591099261 /nfs/dbraw/zinc/09/92/61/591099261.db2.gz VTGQHACGEQYKNY-CVEARBPZSA-N 2 0 338.496 1.101 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@@H](C)[N@H+](C)C2CC2)cc1 ZINC000891513599 591101165 /nfs/dbraw/zinc/10/11/65/591101165.db2.gz FSCWEOBCIHKIAW-KDOFPFPSSA-N 2 0 346.475 1.834 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538415 591112665 /nfs/dbraw/zinc/11/26/65/591112665.db2.gz XXDZKCWNVZWWCH-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)Nc1cc[nH+]cc1CO ZINC000892662264 591115919 /nfs/dbraw/zinc/11/59/19/591115919.db2.gz GQFRZFYLHKUPHK-INIZCTEOSA-N 2 0 326.444 1.618 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000891560484 591127263 /nfs/dbraw/zinc/12/72/63/591127263.db2.gz PCGXGOARINQPTJ-QAPCUYQASA-N 2 0 344.459 1.588 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891574892 591131451 /nfs/dbraw/zinc/13/14/51/591131451.db2.gz IQMNMOIMILAWDK-XIRDDKMYSA-N 2 0 336.480 1.023 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576708 591133033 /nfs/dbraw/zinc/13/30/33/591133033.db2.gz NMGJJFXLAHWTQW-HOTGVXAUSA-N 2 0 338.496 1.319 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000891578723 591133664 /nfs/dbraw/zinc/13/36/64/591133664.db2.gz ZVGYHPUJAUBJSU-ROUUACIJSA-N 2 0 328.460 1.484 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCCCC[C@H]([NH3+])C2)CC1 ZINC000891601023 591143618 /nfs/dbraw/zinc/14/36/18/591143618.db2.gz DWHUEMXAVVBUJZ-IRXDYDNUSA-N 2 0 339.528 1.173 20 0 EDADRP Cc1[nH+]ccc(NC[C@@H]2CCC[N@@H+]2CCCO)c1Br ZINC000894020962 591168921 /nfs/dbraw/zinc/16/89/21/591168921.db2.gz AXVAQYOLUBQKDT-LBPRGKRZSA-N 2 0 328.254 1.833 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1C ZINC000892780607 591173348 /nfs/dbraw/zinc/17/33/48/591173348.db2.gz SMIJMCKJRUIRCV-BZUAXINKSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000892788106 591178603 /nfs/dbraw/zinc/17/86/03/591178603.db2.gz BHUCOTPFQSKVDW-RTBURBONSA-N 2 0 342.487 1.732 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673670 591180068 /nfs/dbraw/zinc/18/00/68/591180068.db2.gz QLWRRJQQSANEHV-JQWIXIFHSA-N 2 0 335.477 1.152 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000891697583 591189028 /nfs/dbraw/zinc/18/90/28/591189028.db2.gz GXZHXRFMSKBPKI-CABCVRRESA-N 2 0 346.466 1.898 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892817144 591190381 /nfs/dbraw/zinc/19/03/81/591190381.db2.gz AGPCDXOKQMZHQP-CABCVRRESA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000892817325 591192888 /nfs/dbraw/zinc/19/28/88/591192888.db2.gz BQTNRKJUPPPFCJ-XHSDSOJGSA-N 2 0 326.485 1.125 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000891727063 591200460 /nfs/dbraw/zinc/20/04/60/591200460.db2.gz DJRVRNQLGRDQKY-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000894165093 591214035 /nfs/dbraw/zinc/21/40/35/591214035.db2.gz XLEVWRDRMNMRTM-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879373 591214714 /nfs/dbraw/zinc/21/47/14/591214714.db2.gz NMJOIRUBCARWSC-QWHCGFSZSA-N 2 0 349.504 1.639 20 0 EDADRP CN(C(=O)N1CCc2sc(C[NH3+])nc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000892883249 591215744 /nfs/dbraw/zinc/21/57/44/591215744.db2.gz VDSYHJYSTSFJLW-LBPRGKRZSA-N 2 0 335.477 1.248 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000892883780 591216495 /nfs/dbraw/zinc/21/64/95/591216495.db2.gz GEQBPDARUURSSC-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891777071 591221464 /nfs/dbraw/zinc/22/14/64/591221464.db2.gz ADXJHZVAEJFCBY-OAHLLOKOSA-N 2 0 328.501 1.422 20 0 EDADRP Cc1cc(N)nc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000894204856 591227479 /nfs/dbraw/zinc/22/74/79/591227479.db2.gz CMDFTBAFUPLHSW-UHFFFAOYSA-N 2 0 327.432 1.806 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000892935175 591230245 /nfs/dbraw/zinc/23/02/45/591230245.db2.gz OJEMHKQABGFBJT-HNNXBMFYSA-N 2 0 331.464 1.915 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000894232083 591238508 /nfs/dbraw/zinc/23/85/08/591238508.db2.gz BTGXNPJQJGPHCB-YSHGAJCASA-N 2 0 342.487 1.710 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000893010879 591254965 /nfs/dbraw/zinc/25/49/65/591254965.db2.gz JOQIPRQORKAPBU-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CC[C@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)cc(C(F)(F)F)n1 ZINC000895772225 591269973 /nfs/dbraw/zinc/26/99/73/591269973.db2.gz YLYBMVCYCKZFPR-QWRGUYRKSA-N 2 0 344.385 1.727 20 0 EDADRP Cc1ccnc(N)c1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000894320941 591277636 /nfs/dbraw/zinc/27/76/36/591277636.db2.gz SDENRZTYBXXSTP-UHFFFAOYSA-N 2 0 347.507 1.689 20 0 EDADRP Cc1[nH+]ccc(N2CCN(CC[NH+](C)C)C(=O)C2)c1Br ZINC000894382857 591296693 /nfs/dbraw/zinc/29/66/93/591296693.db2.gz RCHAXYJFEVORGC-UHFFFAOYSA-N 2 0 341.253 1.363 20 0 EDADRP COc1ccc(C[C@@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000894472407 591319512 /nfs/dbraw/zinc/31/95/12/591319512.db2.gz LNJVPBHHSQRNMM-MGNMYUMUSA-N 2 0 334.460 1.767 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+]CC2CC[NH+](C)CC2)cc1OC ZINC000894551816 591344091 /nfs/dbraw/zinc/34/40/91/591344091.db2.gz XTQQFXCVWGOLMT-IBGZPJMESA-N 2 0 336.476 1.929 20 0 EDADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000896150184 591364250 /nfs/dbraw/zinc/36/42/50/591364250.db2.gz XMEQVIHTAHDJHC-HKUYNNGSSA-N 2 0 349.519 1.822 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[N@@H+]3C(C)(C)C)CC2)c1 ZINC000896177973 591373170 /nfs/dbraw/zinc/37/31/70/591373170.db2.gz HGFHRNHCUJZVLC-OAHLLOKOSA-N 2 0 332.448 1.612 20 0 EDADRP CC(C)[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)[C@H](O)C(F)(F)F ZINC000894681170 591386225 /nfs/dbraw/zinc/38/62/25/591386225.db2.gz MQVFHRSJSVMUPI-STQMWFEESA-N 2 0 326.403 1.759 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896294055 591417680 /nfs/dbraw/zinc/41/76/80/591417680.db2.gz HJCSQYAHATVLCM-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000897437020 591427175 /nfs/dbraw/zinc/42/71/75/591427175.db2.gz FNXKKEYOTXAIBZ-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP Cc1cnccc1OC1CCN(C(=O)NCc2cn(C)cn2)CC1 ZINC000898620025 591444754 /nfs/dbraw/zinc/44/47/54/591444754.db2.gz GFBLFXKGUXAKOY-UHFFFAOYSA-N 2 0 329.404 1.877 20 0 EDADRP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000898636561 591450837 /nfs/dbraw/zinc/45/08/37/591450837.db2.gz GACFUWKAVCMADV-SFHVURJKSA-N 2 0 335.492 1.763 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000897454117 591459560 /nfs/dbraw/zinc/45/95/60/591459560.db2.gz BCBMKALOXFDYCI-CVEARBPZSA-N 2 0 338.496 1.223 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896422773 591462428 /nfs/dbraw/zinc/46/24/28/591462428.db2.gz XXPZGVDONLVTSB-GOSISDBHSA-N 2 0 337.508 1.678 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO ZINC000894905212 591468019 /nfs/dbraw/zinc/46/80/19/591468019.db2.gz BYCGIMPVBNSAMM-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CCO1 ZINC000897558534 591553884 /nfs/dbraw/zinc/55/38/84/591553884.db2.gz JEPIGCDCSWJIMI-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)C1C[NH+](C2CCOCC2)C1 ZINC000898986406 591626729 /nfs/dbraw/zinc/62/67/29/591626729.db2.gz CDZXWQCZYPLKFI-IBGZPJMESA-N 2 0 343.471 1.488 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000896884814 591646831 /nfs/dbraw/zinc/64/68/31/591646831.db2.gz VNYUEUNZEPKJJJ-RTBURBONSA-N 2 0 345.487 1.906 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1 ZINC000896959977 591691791 /nfs/dbraw/zinc/69/17/91/591691791.db2.gz RMMDBKSJVZVJNT-WMLDXEAASA-N 2 0 333.480 1.884 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CC[C@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000895282114 591699389 /nfs/dbraw/zinc/69/93/89/591699389.db2.gz MHBCKIAQSNAFNC-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](c2ccccc2)C1 ZINC000898088579 591772105 /nfs/dbraw/zinc/77/21/05/591772105.db2.gz PMUACBUAJDEARL-QRQLOZEOSA-N 2 0 343.471 1.169 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000897229913 591779790 /nfs/dbraw/zinc/77/97/90/591779790.db2.gz YNWXJVVDGSHWRT-KRWDZBQOSA-N 2 0 325.497 1.065 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898117399 591787646 /nfs/dbraw/zinc/78/76/46/591787646.db2.gz AXDQXPZZORAUHF-SFHVURJKSA-N 2 0 349.519 1.747 20 0 EDADRP C[C@H]1CN(Cc2ccc(S(N)(=O)=O)o2)CCN1c1cc[nH+]cc1 ZINC000895557469 591801297 /nfs/dbraw/zinc/80/12/97/591801297.db2.gz RHNCLGXZMJCAGZ-LBPRGKRZSA-N 2 0 336.417 1.033 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)C[N@H+](C)[C@H]2CCSC2)CC1 ZINC000899558261 591849516 /nfs/dbraw/zinc/84/95/16/591849516.db2.gz HTSUZSOFJYKUIP-HNNXBMFYSA-N 2 0 325.522 1.901 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013684 591872821 /nfs/dbraw/zinc/87/28/21/591872821.db2.gz OAIZEDCJICOIST-ICSRJNTNSA-N 2 0 345.487 1.787 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000900190226 591934841 /nfs/dbraw/zinc/93/48/41/591934841.db2.gz DETZYTXUGFMMIA-IEBWSBKVSA-N 2 0 339.524 1.706 20 0 EDADRP CCn1cnc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000902194076 591941729 /nfs/dbraw/zinc/94/17/29/591941729.db2.gz GDJPGJQQZOEHAU-UHFFFAOYSA-N 2 0 343.479 1.385 20 0 EDADRP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@@H](C3CC[NH+](C)CC3)C1)C2=O ZINC000902200520 591943934 /nfs/dbraw/zinc/94/39/34/591943934.db2.gz FHLZNWAPBGOAEO-JTDSTZFVSA-N 2 0 333.476 1.639 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900245018 591953293 /nfs/dbraw/zinc/95/32/93/591953293.db2.gz GBFANGVTIHFDPS-QUCCMNQESA-N 2 0 345.487 1.531 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@@H+]1CCC12CC[NH+](C)CC2 ZINC000899911379 591979713 /nfs/dbraw/zinc/97/97/13/591979713.db2.gz SXIZAPQWIQQWJI-QGZVFWFLSA-N 2 0 334.460 1.743 20 0 EDADRP CS(=O)(=O)NCCC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902337454 591980733 /nfs/dbraw/zinc/98/07/33/591980733.db2.gz ZXDDTTHFEKJPRW-HNNXBMFYSA-N 2 0 349.447 1.664 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1 ZINC000902358417 591985887 /nfs/dbraw/zinc/98/58/87/591985887.db2.gz BDUSPXHYTLFCQQ-CYBMUJFWSA-N 2 0 325.478 1.212 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@@]2(CCCOC2)C1=O ZINC000902359638 591986395 /nfs/dbraw/zinc/98/63/95/591986395.db2.gz FOFCRTXNGBNVTG-LJQANCHMSA-N 2 0 337.508 1.883 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900338745 591989080 /nfs/dbraw/zinc/98/90/80/591989080.db2.gz GPCRQRFPPZOQOZ-HNNXBMFYSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902498172 592002648 /nfs/dbraw/zinc/00/26/48/592002648.db2.gz CLDSEZFZXNPWDJ-VNDHCKRVSA-N 3 0 331.460 1.584 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@@H]1CCC[NH2+]C1 ZINC000902521402 592010203 /nfs/dbraw/zinc/01/02/03/592010203.db2.gz SJRHXOIGRLPSFF-QJPTWQEYSA-N 2 0 325.844 1.392 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000900416990 592013260 /nfs/dbraw/zinc/01/32/60/592013260.db2.gz KNLXNKGARDGYRE-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccn2nccc2n1 ZINC000900480137 592030206 /nfs/dbraw/zinc/03/02/06/592030206.db2.gz CNMGSBSESATWMN-OAHLLOKOSA-N 2 0 344.463 1.217 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000900622086 592074167 /nfs/dbraw/zinc/07/41/67/592074167.db2.gz AWGJBCIUIJCKDQ-MRXNPFEDSA-N 2 0 330.432 1.741 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCCCNc2ccccn2)CC1 ZINC000900755609 592107395 /nfs/dbraw/zinc/10/73/95/592107395.db2.gz QUACZCUQMOJSDA-UHFFFAOYSA-N 2 0 333.480 1.416 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCO[C@@]23CCOC3)cc1 ZINC000903090899 592118494 /nfs/dbraw/zinc/11/84/94/592118494.db2.gz IWHXHLAUMQVOAE-RBUKOAKNSA-N 2 0 334.460 1.707 20 0 EDADRP C(CN1CCOCC1)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903098513 592120247 /nfs/dbraw/zinc/12/02/47/592120247.db2.gz PUWRXNWHGUPFAS-FQVATPOOSA-N 2 0 348.535 1.140 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900871020 592151932 /nfs/dbraw/zinc/15/19/32/592151932.db2.gz WOLOQZSZZAGKAJ-ICSRJNTNSA-N 2 0 345.487 1.566 20 0 EDADRP CO[C@@]1(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)CCS(=O)(=O)C1 ZINC000903362821 592159022 /nfs/dbraw/zinc/15/90/22/592159022.db2.gz KCGZDUXPXNJHHX-OFLPRAFFSA-N 2 0 344.521 1.577 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]CCCn2ccc(=O)[nH]c2=O)CC1 ZINC000903429401 592168513 /nfs/dbraw/zinc/16/85/13/592168513.db2.gz QDNUDHSMVXOUTR-UHFFFAOYSA-N 2 0 334.464 1.726 20 0 EDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000903433939 592169642 /nfs/dbraw/zinc/16/96/42/592169642.db2.gz HBLCAILJWHLOHL-GFPRJFBKSA-N 2 0 337.855 1.344 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](C[C@@H]2[C@@H](c3ccccc3)C2(F)F)C1 ZINC000903422595 592170537 /nfs/dbraw/zinc/17/05/37/592170537.db2.gz FBELPZWGPBTUEM-ARFHVFGLSA-N 2 0 337.414 1.822 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510910 592190510 /nfs/dbraw/zinc/19/05/10/592190510.db2.gz UHGDSUWMEQQYHE-QRQLOZEOSA-N 2 0 348.535 1.678 20 0 EDADRP O=C1NCC2(CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)Oc2ccccc21 ZINC000903564514 592211782 /nfs/dbraw/zinc/21/17/82/592211782.db2.gz YEYHDUHYDHLINN-HNNXBMFYSA-N 2 0 329.444 1.643 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906646188 592231771 /nfs/dbraw/zinc/23/17/71/592231771.db2.gz NHKBYDLOSCNEKK-AWEZNQCLSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@]1(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]C1 ZINC000904365134 592242271 /nfs/dbraw/zinc/24/22/71/592242271.db2.gz WWWSCIBXMYDJBE-QFBILLFUSA-N 2 0 331.460 1.646 20 0 EDADRP CCN1C[C@@H](C)N(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000906665445 592246887 /nfs/dbraw/zinc/24/68/87/592246887.db2.gz WBMVMYDUXJGYPZ-UONOGXRCSA-N 2 0 346.475 1.760 20 0 EDADRP C[C@@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccc2c(c1)CCO2 ZINC000904446353 592262982 /nfs/dbraw/zinc/26/29/82/592262982.db2.gz ZSNNTOSGLLJFLN-CJNGLKHVSA-N 2 0 327.432 1.988 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000901151747 592263391 /nfs/dbraw/zinc/26/33/91/592263391.db2.gz JXORLMAENAUAGN-MRXNPFEDSA-N 2 0 335.496 1.543 20 0 EDADRP CC1CC[NH+](C2CCC(NC(=O)[C@]3(C)C[C@H](O)C[N@@H+]3C)CC2)CC1 ZINC000901187548 592269425 /nfs/dbraw/zinc/26/94/25/592269425.db2.gz RWYBVYKLLLUDDJ-AKSNENBUSA-N 2 0 337.508 1.601 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000906703328 592275964 /nfs/dbraw/zinc/27/59/64/592275964.db2.gz OQNBLVBABKRVNS-IBGZPJMESA-N 2 0 344.503 1.261 20 0 EDADRP [NH3+]C1(CNC(=O)Nc2cc3n(n2)CCN(Cc2ccccc2)C3)CC1 ZINC000904541489 592284031 /nfs/dbraw/zinc/28/40/31/592284031.db2.gz XCXLIAYXZIGMBB-UHFFFAOYSA-N 2 0 340.431 1.512 20 0 EDADRP C[N@H+](C[C@H](O)COCc1ccccc1)C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903725616 592285317 /nfs/dbraw/zinc/28/53/17/592285317.db2.gz DSGMWGOMUNUUJP-OALUTQOASA-N 2 0 348.487 1.655 20 0 EDADRP CN(C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCN(c2ccccc2)C1=O ZINC000903730766 592287014 /nfs/dbraw/zinc/28/70/14/592287014.db2.gz YZCTZYRZDXTHIS-QZTJIDSGSA-N 2 0 343.471 1.882 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000906721032 592289790 /nfs/dbraw/zinc/28/97/90/592289790.db2.gz HYZMMALRFRCUOR-UHFFFAOYSA-N 2 0 332.448 1.193 20 0 EDADRP O=S1(=O)CCC[C@@]2(C(F)(F)F)C[N@H+](CC3CC[NH2+]CC3)C[C@H]21 ZINC000903712031 592290493 /nfs/dbraw/zinc/29/04/93/592290493.db2.gz BUOXKTRPEZTSEM-CHWSQXEVSA-N 2 0 340.411 1.428 20 0 EDADRP c1csc(CN(C[C@@H]2C[C@@H]3COC[C@H]3O2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000903745506 592292269 /nfs/dbraw/zinc/29/22/69/592292269.db2.gz JDFLMUUYTMFIJY-QXSJWSMHSA-N 2 0 349.500 1.891 20 0 EDADRP Cn1ccnc1CN(C[C@H]1CCCC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000903746066 592293277 /nfs/dbraw/zinc/29/32/77/592293277.db2.gz VNKIDDNVUYZACB-DLBZAZTESA-N 2 0 331.508 1.754 20 0 EDADRP CCO[C@H](C)c1noc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735179 592297510 /nfs/dbraw/zinc/29/75/10/592297510.db2.gz YJDZUNKNQJUXQI-ZIAGYGMSSA-N 2 0 338.452 1.758 20 0 EDADRP CCO[C@H]1C[NH2+][C@@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000904628547 592298461 /nfs/dbraw/zinc/29/84/61/592298461.db2.gz VRXGANZEQOYMPK-ZIAGYGMSSA-N 2 0 347.419 1.512 20 0 EDADRP C([C@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740147 592301237 /nfs/dbraw/zinc/30/12/37/592301237.db2.gz SEFWTWSBMCAXFN-JKSUJKDBSA-N 2 0 345.491 1.562 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC(C)(C)C[NH3+])n3)cn2)CC1 ZINC000904673178 592309249 /nfs/dbraw/zinc/30/92/49/592309249.db2.gz PKTZYLAVYMXAPX-UHFFFAOYSA-N 2 0 344.463 1.801 20 0 EDADRP CC1(N2CCOCC2)CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769692 592311290 /nfs/dbraw/zinc/31/12/90/592311290.db2.gz MDNZUIBWKAZRPG-KRWDZBQOSA-N 2 0 337.508 1.332 20 0 EDADRP Cc1cc(N2CC[C@H]([NH+]3CCC(C(C)(C)C[NH3+])CC3)C2=O)n(C)n1 ZINC000903790615 592316038 /nfs/dbraw/zinc/31/60/38/592316038.db2.gz RHSGUCOLEBVTOP-HNNXBMFYSA-N 2 0 333.480 1.531 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000906757670 592317652 /nfs/dbraw/zinc/31/76/52/592317652.db2.gz ORSXDDPIKUDSME-UHFFFAOYSA-N 2 0 348.491 1.781 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903783194 592321192 /nfs/dbraw/zinc/32/11/92/592321192.db2.gz WCZLIZYOFOMIDG-GBESFXJTSA-N 2 0 331.460 1.410 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]2CC[C@@]21C[NH3+])c1ccccc1 ZINC000903803699 592327735 /nfs/dbraw/zinc/32/77/35/592327735.db2.gz ZVOSYFRCGXHSAV-QWFCFKBJSA-N 2 0 344.503 1.609 20 0 EDADRP C([C@@H]1CCC2(CCOCC2)CO1)[N@@H+]1CC[NH2+]CCC12CCOCC2 ZINC000903819303 592332406 /nfs/dbraw/zinc/33/24/06/592332406.db2.gz FTUHOOWDBRETKF-KRWDZBQOSA-N 2 0 338.492 1.807 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[NH2+]CCC23CCOCC3)CC1 ZINC000903818242 592341323 /nfs/dbraw/zinc/34/13/23/592341323.db2.gz CUZQIRCHXDEXPE-UHFFFAOYSA-N 3 0 338.540 1.247 20 0 EDADRP CN(C)[S@](C)(=O)=NCC1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000903871066 592353626 /nfs/dbraw/zinc/35/36/26/592353626.db2.gz MGCCUKUWGOGAJF-OYHNWAKOSA-N 2 0 330.542 1.663 20 0 EDADRP CCCNC(=O)C1CC[NH+](C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903878963 592359518 /nfs/dbraw/zinc/35/95/18/592359518.db2.gz OKWPCYRRAPEBNA-HNNXBMFYSA-N 2 0 335.496 1.084 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCC(N)=O)Cc2ccccc2)cnn1C ZINC000903878922 592360132 /nfs/dbraw/zinc/36/01/32/592360132.db2.gz NJHIARCNMSRGRJ-QGZVFWFLSA-N 2 0 343.475 1.224 20 0 EDADRP COCCC[N@H+](CC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCS(=O)(=O)C1 ZINC000903905740 592373142 /nfs/dbraw/zinc/37/31/42/592373142.db2.gz MYPXRJMCNZNAEW-UYTSQGDYSA-N 2 0 330.494 1.043 20 0 EDADRP COc1ccc(OCC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)cc1 ZINC000903920675 592376914 /nfs/dbraw/zinc/37/69/14/592376914.db2.gz KTHPACOLZBRLJD-CQSZACIVSA-N 2 0 331.420 1.380 20 0 EDADRP c1cc(CNC2CC[NH+](C[C@H]3CCOC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000903920680 592377619 /nfs/dbraw/zinc/37/76/19/592377619.db2.gz KTHWQYNZRHIVGP-MRXNPFEDSA-N 2 0 329.488 1.923 20 0 EDADRP CCOC(=O)N1CCC([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903922471 592377876 /nfs/dbraw/zinc/37/78/76/592377876.db2.gz XOGGGRBIWNCZFJ-CQSZACIVSA-N 2 0 337.468 1.056 20 0 EDADRP C[C@@H](CCNC(=O)C1CN(C)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000906877780 592379885 /nfs/dbraw/zinc/37/98/85/592379885.db2.gz BPZPLSXYDNBPED-KRWDZBQOSA-N 2 0 346.519 1.507 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)C2 ZINC000903926681 592380765 /nfs/dbraw/zinc/38/07/65/592380765.db2.gz NSIMYMSTVBAOGD-HUUCEWRRSA-N 2 0 343.431 1.305 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(c3ccncn3)CC2)cnn1C ZINC000903929802 592381805 /nfs/dbraw/zinc/38/18/05/592381805.db2.gz LVUPTFBZRVBRMT-OAHLLOKOSA-N 2 0 328.464 1.516 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903931828 592383857 /nfs/dbraw/zinc/38/38/57/592383857.db2.gz JAIHPBJJWNWYHD-AHCXZYCDSA-N 3 0 348.495 1.063 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CNc2ccc([C@H]3C[NH2+]CCO3)cc2)cnn1C ZINC000903932698 592385499 /nfs/dbraw/zinc/38/54/99/592385499.db2.gz FLGMRXFAFAVOKS-DNVCBOLYSA-N 2 0 343.475 1.619 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCN(c3cc[nH+]cc3)[C@H](C)C2)cnn1C ZINC000903937997 592387524 /nfs/dbraw/zinc/38/75/24/592387524.db2.gz XEFVALILSMJUSB-WBVHZDCISA-N 2 0 342.491 1.452 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@@H]1CCCCC12CC[NH2+]CC2 ZINC000903937281 592387826 /nfs/dbraw/zinc/38/78/26/592387826.db2.gz HBEXFOIRDYXLLO-DOTOQJQBSA-N 3 0 332.496 1.605 20 0 EDADRP NC(=O)C1(N2CCCCC2)CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903937071 592388174 /nfs/dbraw/zinc/38/81/74/592388174.db2.gz ASWVIFVLJOYGLU-ALOPSCKCSA-N 2 0 334.508 1.323 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C/C=C\c1ccccc1OC)C2 ZINC000903978744 592400080 /nfs/dbraw/zinc/40/00/80/592400080.db2.gz LOJNDRZRNXWVNZ-WMXZZFSLSA-N 2 0 330.428 1.921 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)CC3(CO)CCCC3)C2)CC1 ZINC000905110926 592412009 /nfs/dbraw/zinc/41/20/09/592412009.db2.gz SQBHMXTXYUIOQG-AEFFLSMTSA-N 2 0 339.524 1.048 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905113113 592412752 /nfs/dbraw/zinc/41/27/52/592412752.db2.gz XWBFSGPYUPCFOG-ROUUACIJSA-N 2 0 341.540 1.153 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905150100 592439444 /nfs/dbraw/zinc/43/94/44/592439444.db2.gz XAOIWVDEKXWHLN-LBPRGKRZSA-N 2 0 347.372 1.551 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000905151072 592440428 /nfs/dbraw/zinc/44/04/28/592440428.db2.gz QLWFWJOPNBNMHQ-GJZGRUSLSA-N 2 0 326.510 1.351 20 0 EDADRP CC(C)(C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+]1CCCCC1 ZINC000907069756 592505176 /nfs/dbraw/zinc/50/51/76/592505176.db2.gz ZRFHPURNUWTPND-INIZCTEOSA-N 2 0 325.497 1.604 20 0 EDADRP [NH3+]CCN(Cc1cccc(Cl)c1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905363499 592515951 /nfs/dbraw/zinc/51/59/51/592515951.db2.gz XUQFTGXJMLSUKM-UHFFFAOYSA-N 2 0 345.896 1.430 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000908539872 592530064 /nfs/dbraw/zinc/53/00/64/592530064.db2.gz DHFAXWSPLNENTK-QGZVFWFLSA-N 2 0 344.459 1.867 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000908597597 592548445 /nfs/dbraw/zinc/54/84/45/592548445.db2.gz GSKNGZOULDDHBY-UHFFFAOYSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@H](NC(=O)c1ccnn1CC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000907285856 592584587 /nfs/dbraw/zinc/58/45/87/592584587.db2.gz OUGICXJNDSAHFZ-HOTGVXAUSA-N 2 0 347.507 1.828 20 0 EDADRP OC[C@@H]1CCCN(c2cc(N3CCCC[C@]4(CC[NH2+]C4)C3)ncn2)C1 ZINC000905677823 592609567 /nfs/dbraw/zinc/60/95/67/592609567.db2.gz AHBVAACTLOIMTP-VQIMIIECSA-N 2 0 345.491 1.655 20 0 EDADRP CCOc1cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc(C)n1 ZINC000905702860 592616380 /nfs/dbraw/zinc/61/63/80/592616380.db2.gz YYTBFVOFYCSTRS-IYBDPMFKSA-N 2 0 331.464 1.589 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907456719 592664754 /nfs/dbraw/zinc/66/47/54/592664754.db2.gz OGJMGJSGGDQTPI-SJORKVTESA-N 2 0 336.524 1.536 20 0 EDADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C[C@]1(O)CCOC1 ZINC000905918762 592681763 /nfs/dbraw/zinc/68/17/63/592681763.db2.gz IKIKSHFCIAZURS-VQTJNVASSA-N 2 0 348.487 1.391 20 0 EDADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)C[C@@]1(O)CCOC1 ZINC000905918757 592681983 /nfs/dbraw/zinc/68/19/83/592681983.db2.gz IKIKSHFCIAZURS-PMACEKPBSA-N 2 0 348.487 1.391 20 0 EDADRP CC[C@](O)(C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F ZINC000905934188 592688049 /nfs/dbraw/zinc/68/80/49/592688049.db2.gz RKQMKGBIIUEFKC-OCCSQVGLSA-N 2 0 326.403 1.714 20 0 EDADRP C[C@H](CNC(=O)c1cscc1C(=O)NC[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000906072418 592737954 /nfs/dbraw/zinc/73/79/54/592737954.db2.gz KCMKPJKEQOMXEI-VXGBXAGGSA-N 2 0 340.493 1.108 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218838 592760549 /nfs/dbraw/zinc/76/05/49/592760549.db2.gz OEFLGSUESWOKTK-HZPDHXFCSA-N 2 0 331.464 1.047 20 0 EDADRP CCCn1ccnc1CCCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907740445 592766650 /nfs/dbraw/zinc/76/66/50/592766650.db2.gz KLAXGGRBMGBUJB-GOSISDBHSA-N 2 0 336.480 1.531 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC000910269585 592814895 /nfs/dbraw/zinc/81/48/95/592814895.db2.gz KOYAPVGEZNMGFF-WWDZGPRUSA-N 2 0 337.508 1.820 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH+]2CCCOCC2)CC1 ZINC000910366811 592845309 /nfs/dbraw/zinc/84/53/09/592845309.db2.gz UHOCCTHORDDLII-QZTJIDSGSA-N 2 0 335.492 1.717 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000911079262 592921185 /nfs/dbraw/zinc/92/11/85/592921185.db2.gz WHMRXTMPOHDCQW-CABCVRRESA-N 2 0 340.512 1.117 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)c1 ZINC000911220238 592961361 /nfs/dbraw/zinc/96/13/61/592961361.db2.gz UELGHTVBLPCXQU-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP CC(C)(C[NH3+])CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000911735486 592992880 /nfs/dbraw/zinc/99/28/80/592992880.db2.gz JGCQQLOZRMZFQL-UHFFFAOYSA-N 2 0 333.432 1.909 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911740374 592994390 /nfs/dbraw/zinc/99/43/90/592994390.db2.gz KACZYNHMKCJOEJ-LIRRHRJNSA-N 2 0 343.427 1.534 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1)[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000911751610 592997459 /nfs/dbraw/zinc/99/74/59/592997459.db2.gz NAEZDSDTICFXQL-TZDHZFECSA-N 2 0 343.427 1.674 20 0 EDADRP CCCN(C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000911765567 593000028 /nfs/dbraw/zinc/00/00/28/593000028.db2.gz CDTZKXRSDFIIHS-OLZOCXBDSA-N 2 0 343.393 1.964 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C[C@@H](C)[NH2+]1 ZINC000911801093 593012791 /nfs/dbraw/zinc/01/27/91/593012791.db2.gz YHQCRQKMQIJKLE-CKYFFXLPSA-N 2 0 329.366 1.573 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@H]([NH3+])Cc2ccc(Br)cc2)CC[NH2+]1 ZINC000911809496 593015215 /nfs/dbraw/zinc/01/52/15/593015215.db2.gz JXPYHUDERKYXLB-RISCZKNCSA-N 2 0 340.265 1.529 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000911856544 593027932 /nfs/dbraw/zinc/02/79/32/593027932.db2.gz QJFGTDJZTQLIIC-MSOLQXFVSA-N 2 0 345.487 1.913 20 0 EDADRP CC(C)(C)[C@H]([NH3+])CC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000912030046 593049889 /nfs/dbraw/zinc/04/98/89/593049889.db2.gz UFOGUTPMGBJVBT-OAHLLOKOSA-N 2 0 325.497 1.901 20 0 EDADRP O[C@@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000838847594 593224016 /nfs/dbraw/zinc/22/40/16/593224016.db2.gz MZUHZBNRXCAUFI-PMACEKPBSA-N 2 0 329.488 1.649 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@H]1[NH+](C)C ZINC000810755595 593427512 /nfs/dbraw/zinc/42/75/12/593427512.db2.gz XNUGKNKKDOFHGH-XJKCOSOUSA-N 2 0 331.501 1.703 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)CC[NH2+]CC1 ZINC000817911594 593647798 /nfs/dbraw/zinc/64/77/98/593647798.db2.gz CUJOKGRAYHSSQG-YJBOKZPZSA-N 2 0 334.460 1.805 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1cccc(C(F)(F)F)c1 ZINC000819033164 593734661 /nfs/dbraw/zinc/73/46/61/593734661.db2.gz KTNPSGLIPCLPKB-XJKSGUPXSA-N 2 0 345.409 1.964 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)c3c(F)cccc3F)C2)CC1 ZINC000819054259 593736096 /nfs/dbraw/zinc/73/60/96/593736096.db2.gz PJRHZFJHEKXURP-GUYCJALGSA-N 2 0 339.430 1.756 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)cc1 ZINC000823728108 593843956 /nfs/dbraw/zinc/84/39/56/593843956.db2.gz ULROHKAIQTZADE-SFHVURJKSA-N 2 0 333.476 1.367 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000821500970 593847839 /nfs/dbraw/zinc/84/78/39/593847839.db2.gz IUFXLUDLKSNEOI-INIZCTEOSA-N 2 0 348.495 1.688 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3ccccc3-c3nn[nH]n3)CC[C@H]21 ZINC000821624958 593885485 /nfs/dbraw/zinc/88/54/85/593885485.db2.gz BHAHLOXUAYJTIB-GOEBONIOSA-N 2 0 342.447 1.662 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824547873 594036657 /nfs/dbraw/zinc/03/66/57/594036657.db2.gz TYCYJYFNOFSPNB-CQSZACIVSA-N 2 0 343.479 1.543 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CC[C@H](C)[NH3+])n3)cn2)CC1 ZINC000822956973 594128304 /nfs/dbraw/zinc/12/83/04/594128304.db2.gz STSWHVPJLBUTOL-ZDUSSCGKSA-N 2 0 330.436 1.553 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnn2C2CCC2)C[C@H]1C[NH+](C)C ZINC000827892290 594298746 /nfs/dbraw/zinc/29/87/46/594298746.db2.gz JOIJUFOKCGQIMS-HUUCEWRRSA-N 2 0 333.480 1.420 20 0 EDADRP CC1(C)[C@H](O)CC[N@@H+]1Cc1cncc(C[NH+]2CC[C@H](O)C2(C)C)c1 ZINC000829973433 594304665 /nfs/dbraw/zinc/30/46/65/594304665.db2.gz FEETXIFGHYMOFB-CALCHBBNSA-N 2 0 333.476 1.772 20 0 EDADRP COc1ccc(C[NH2+]CC2(C)CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826202621 594376890 /nfs/dbraw/zinc/37/68/90/594376890.db2.gz GJBOAZLGECSPSM-UHFFFAOYSA-N 2 0 330.436 1.697 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[NH+]1CCCCC1 ZINC000841021070 594840734 /nfs/dbraw/zinc/84/07/34/594840734.db2.gz ZBEOVOYQHXOPDY-AWEZNQCLSA-N 2 0 344.459 1.261 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc(C[C@H]([NH3+])C4CC4)n3)c2)CC1 ZINC000843207884 595035628 /nfs/dbraw/zinc/03/56/28/595035628.db2.gz HBHDPBOEUGOMGF-AWEZNQCLSA-N 2 0 328.420 1.163 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C(=O)NCCCCCC[NH3+])[C@H]1c1ccccc1 ZINC000843258727 595055402 /nfs/dbraw/zinc/05/54/02/595055402.db2.gz FBONCBOXKWSEKY-DLBZAZTESA-N 2 0 346.475 1.183 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843329820 595075668 /nfs/dbraw/zinc/07/56/68/595075668.db2.gz NORFPXGRYIIHFN-WQVCFCJDSA-N 2 0 329.400 1.284 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378356 595094310 /nfs/dbraw/zinc/09/43/10/595094310.db2.gz RLUGKGDVZGOHPH-RYUDHWBXSA-N 2 0 331.420 1.656 20 0 EDADRP CCCCCCNC(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000842478592 595115811 /nfs/dbraw/zinc/11/58/11/595115811.db2.gz IHGPMTVTSCECDE-WMZOPIPTSA-N 2 0 325.497 1.901 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC000834564478 595163572 /nfs/dbraw/zinc/16/35/72/595163572.db2.gz LBZYLQAELLQKGE-IAGOWNOFSA-N 2 0 329.460 1.114 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000846178782 595166009 /nfs/dbraw/zinc/16/60/09/595166009.db2.gz YYMMLFGVEVNAHU-WDYCEAGBSA-N 2 0 328.460 1.644 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000843073424 595281368 /nfs/dbraw/zinc/28/13/68/595281368.db2.gz PMPKJTVNIVJZQI-WMLDXEAASA-N 2 0 328.403 1.825 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCc1ccc(N2CCCCC2)nc1 ZINC000844169443 595289805 /nfs/dbraw/zinc/28/98/05/595289805.db2.gz DEZOHPYCGLBWQS-MRXNPFEDSA-N 2 0 332.448 1.457 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170017 595290308 /nfs/dbraw/zinc/29/03/08/595290308.db2.gz FLQOKJSDPUTSHO-CVEARBPZSA-N 2 0 325.497 1.770 20 0 EDADRP [NH3+]C1(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000844172371 595290886 /nfs/dbraw/zinc/29/08/86/595290886.db2.gz WDASIUVLTCSDHZ-SFHVURJKSA-N 2 0 343.471 1.242 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327359 595325567 /nfs/dbraw/zinc/32/55/67/595325567.db2.gz QCJMSGXOLIXNCY-ZFWWWQNUSA-N 2 0 335.473 1.615 20 0 EDADRP COCC[N@@H+]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C(C)(C)C1 ZINC000848244994 595346019 /nfs/dbraw/zinc/34/60/19/595346019.db2.gz HJFFRSLSMWVOKH-UHFFFAOYSA-N 2 0 347.503 1.974 20 0 EDADRP Cc1ccc(CNC(=[NH2+])NC[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000849055219 595476185 /nfs/dbraw/zinc/47/61/85/595476185.db2.gz WRQMWOYDHAPJQD-GOSISDBHSA-N 2 0 331.508 1.881 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065094 595476905 /nfs/dbraw/zinc/47/69/05/595476905.db2.gz OPDFKMZHBCNETF-GOEBONIOSA-N 2 0 349.454 1.068 20 0 EDADRP [NH2+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)NCC1CCC1 ZINC000849069012 595477543 /nfs/dbraw/zinc/47/75/43/595477543.db2.gz ZJIOIBQOARRHNW-UHFFFAOYSA-N 2 0 345.495 1.293 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000849104848 595482575 /nfs/dbraw/zinc/48/25/75/595482575.db2.gz ZCGHYFPPGGNNRK-LMMKCTJWSA-N 2 0 348.466 1.890 20 0 EDADRP [NH2+]=C(NCCC1(CO)CC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849115177 595484204 /nfs/dbraw/zinc/48/42/04/595484204.db2.gz IJUXVRSDDKIPLO-UHFFFAOYSA-N 2 0 330.476 1.928 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC(C)(C)C1(O)CCOCC1 ZINC000849118059 595484848 /nfs/dbraw/zinc/48/48/48/595484848.db2.gz IFVIXKYIAZWIRY-CQSZACIVSA-N 2 0 326.485 1.152 20 0 EDADRP CC1(C)CC[NH2+][C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000852794437 595546460 /nfs/dbraw/zinc/54/64/60/595546460.db2.gz QTAQQBKMDYCFAG-MRXNPFEDSA-N 2 0 345.443 1.922 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849480959 595546822 /nfs/dbraw/zinc/54/68/22/595546822.db2.gz IKDZCTJVROGNAX-DLBZAZTESA-N 2 0 335.496 1.302 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[NH+](C)C2CCCC2)cn1 ZINC000849522714 595557962 /nfs/dbraw/zinc/55/79/62/595557962.db2.gz NOVAIATUDBNLIJ-MSOLQXFVSA-N 2 0 347.507 1.446 20 0 EDADRP CC(C)(CNC(=O)C1=NO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000852858504 595580160 /nfs/dbraw/zinc/58/01/60/595580160.db2.gz FGHKGAPTMHASMZ-OAHLLOKOSA-N 2 0 330.432 1.043 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849597101 595586600 /nfs/dbraw/zinc/58/66/00/595586600.db2.gz RAGDADVKLSHTQP-PVAVHDDUSA-N 2 0 335.496 1.300 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000852906341 595608421 /nfs/dbraw/zinc/60/84/21/595608421.db2.gz WZIDWQFNLFXTKZ-IKGGRYGDSA-N 2 0 335.423 1.156 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc2c(c1)CCCO2 ZINC000853249188 595719190 /nfs/dbraw/zinc/71/91/90/595719190.db2.gz OFUAZVMFEFRYLM-LSDHHAIUSA-N 2 0 331.460 1.860 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCOC(F)F)CC1 ZINC000851862692 595952893 /nfs/dbraw/zinc/95/28/93/595952893.db2.gz DLJYISSUGJPJGX-UHFFFAOYSA-N 2 0 347.450 1.930 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000851951897 595983949 /nfs/dbraw/zinc/98/39/49/595983949.db2.gz GVBQHRHUVFIQDW-OWCLPIDISA-N 2 0 329.485 1.534 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000854232996 596009654 /nfs/dbraw/zinc/00/96/54/596009654.db2.gz YUESMHBIXFNUHX-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP CCCNC(=O)OC[C@H]1CCCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000852047848 596022483 /nfs/dbraw/zinc/02/24/83/596022483.db2.gz IXJSOYKPLCEMKJ-HZPDHXFCSA-N 2 0 329.485 1.678 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856603765 596032065 /nfs/dbraw/zinc/03/20/65/596032065.db2.gz FPMBCHKADOAASA-SBUREZEXSA-N 2 0 339.505 1.753 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000857115080 596161282 /nfs/dbraw/zinc/16/12/82/596161282.db2.gz HYJVMOSKZDVNOL-HNNXBMFYSA-N 2 0 333.480 1.467 20 0 EDADRP Cc1cc(C)cc(OCC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866707512 596302021 /nfs/dbraw/zinc/30/20/21/596302021.db2.gz IKMROANFZWWSTE-JQHSSLGASA-N 2 0 345.443 1.549 20 0 EDADRP Cc1cc(C)c(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)n1 ZINC000866711773 596304978 /nfs/dbraw/zinc/30/49/78/596304978.db2.gz NHAMUVSSXPZRRC-OIISXLGYSA-N 2 0 330.432 1.374 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](Cc2cccc(C(F)F)c2)C1 ZINC000866711574 596305162 /nfs/dbraw/zinc/30/51/62/596305162.db2.gz MOBVYCWBEFXWBE-KFWWJZLASA-N 2 0 337.370 1.991 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000866712823 596305827 /nfs/dbraw/zinc/30/58/27/596305827.db2.gz YKCYLAFKWUQHBT-KCITZHQASA-N 2 0 341.455 1.973 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000870853878 596377965 /nfs/dbraw/zinc/37/79/65/596377965.db2.gz GHUCJUQMUFWGES-UHFFFAOYSA-N 2 0 335.492 1.670 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870877622 596387089 /nfs/dbraw/zinc/38/70/89/596387089.db2.gz GFLZDHOBHWCVSC-AWEZNQCLSA-N 2 0 340.265 1.907 20 0 EDADRP O=C(CCC12CC(C1)C[NH2+]2)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000870902388 596396715 /nfs/dbraw/zinc/39/67/15/596396715.db2.gz RDCUQSUYHXXPDB-UHFFFAOYSA-N 2 0 349.519 1.918 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870940969 596413569 /nfs/dbraw/zinc/41/35/69/596413569.db2.gz QPDFJSIIRKNEQO-JHJVBQTASA-N 2 0 326.238 1.835 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccnc2Br)CC1 ZINC000865411443 596566275 /nfs/dbraw/zinc/56/62/75/596566275.db2.gz WUCMYXDILZFEJJ-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNc1cc[nH+]cc1C(F)(F)F ZINC000865499083 596592207 /nfs/dbraw/zinc/59/22/07/596592207.db2.gz KIUTYNNUCSPDJO-CQSZACIVSA-N 2 0 344.381 1.877 20 0 EDADRP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863546225 596613748 /nfs/dbraw/zinc/61/37/48/596613748.db2.gz KBEFXHXHXQODEW-NSHDSACASA-N 2 0 336.404 1.699 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000863549874 596615257 /nfs/dbraw/zinc/61/52/57/596615257.db2.gz KPEWTXHVWWTVEU-SJORKVTESA-N 2 0 349.406 1.462 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863553607 596616268 /nfs/dbraw/zinc/61/62/68/596616268.db2.gz GMWPRUVNAPFQAI-GJZGRUSLSA-N 2 0 327.469 1.336 20 0 EDADRP CC(C)(C)OC(=O)NC1(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000863553402 596616403 /nfs/dbraw/zinc/61/64/03/596616403.db2.gz BAXOQGGZIMLWAY-CQSZACIVSA-N 2 0 327.469 1.480 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)C[C@@H](C)[NH3+])CC1 ZINC000863570101 596621254 /nfs/dbraw/zinc/62/12/54/596621254.db2.gz RXUBZSROGGBYNR-QGZVFWFLSA-N 2 0 332.492 1.308 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)NCC(C)(C)N1CCOCC1 ZINC000867955538 596633793 /nfs/dbraw/zinc/63/37/93/596633793.db2.gz CKBWVFJWCWIOHB-QGZVFWFLSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H](F)[C@@H]3CC[NH2+]C3)n2)ccn1 ZINC000863664063 596649499 /nfs/dbraw/zinc/64/94/99/596649499.db2.gz QELLQEDITCELLZ-OCCSQVGLSA-N 2 0 335.383 1.692 20 0 EDADRP O=C1OC[C@]2(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)COCCN12 ZINC000865770305 596676795 /nfs/dbraw/zinc/67/67/95/596676795.db2.gz JYHBDQHLSRTSNJ-SFHVURJKSA-N 2 0 337.464 1.594 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)cc2)CC1 ZINC000868096616 596684633 /nfs/dbraw/zinc/68/46/33/596684633.db2.gz RGUILKFZGRLYBU-RDJZCZTQSA-N 2 0 329.448 1.407 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)n2)CC1 ZINC000868156103 596704733 /nfs/dbraw/zinc/70/47/33/596704733.db2.gz VRQHSBCISSKAFX-CABCVRRESA-N 2 0 332.452 1.508 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccc(C[NH3+])c2)C[C@H]1C[NH+](C)C ZINC000868165257 596707696 /nfs/dbraw/zinc/70/76/96/596707696.db2.gz XXEMMVZRBTXSSM-HZPDHXFCSA-N 3 0 333.480 1.348 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000870016044 596708750 /nfs/dbraw/zinc/70/87/50/596708750.db2.gz AYMCTBAHGCETDC-GUIRCDHDSA-N 2 0 346.313 1.358 20 0 EDADRP Cc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1C(C)C ZINC000870016887 596708993 /nfs/dbraw/zinc/70/89/93/596708993.db2.gz DWDVUJBBWYRBKZ-HZPDHXFCSA-N 2 0 335.496 1.584 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@@H]2c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870017260 596709555 /nfs/dbraw/zinc/70/95/55/596709555.db2.gz KPRZOAXMLUVRDE-MKXGPGLRSA-N 2 0 329.488 1.988 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CC(=O)c3ccccc32)C[C@H]1C[NH+](C)C ZINC000870019274 596710695 /nfs/dbraw/zinc/71/06/95/596710695.db2.gz BXQBMLDMHPRQNV-RKVPGOIHSA-N 2 0 343.471 1.554 20 0 EDADRP C[C@H]1CCCC[C@H]1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022523 596712471 /nfs/dbraw/zinc/71/24/71/596712471.db2.gz UCXHFNRTGBFPSN-BSDSXHPESA-N 2 0 339.524 1.780 20 0 EDADRP CNc1snc(C)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024064 596713903 /nfs/dbraw/zinc/71/39/03/596713903.db2.gz IWRWYAYCVSPCFU-CHWSQXEVSA-N 2 0 339.509 1.305 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc3ccccc3n2)C[C@H]1C[NH+](C)C ZINC000870024865 596714454 /nfs/dbraw/zinc/71/44/54/596714454.db2.gz VNJGPBHNZSWSEG-HUUCEWRRSA-N 2 0 341.459 1.441 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2cc(N3CCCC3)ncn2)C[C@H]1C[NH+](C)C ZINC000866012563 596757533 /nfs/dbraw/zinc/75/75/33/596757533.db2.gz IFUKBJWXZNWVNP-HZPDHXFCSA-N 2 0 332.496 1.252 20 0 EDADRP Cc1nc2c(c(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)n1)CCCC2 ZINC000866012789 596758130 /nfs/dbraw/zinc/75/81/30/596758130.db2.gz QLIXEDKVKTVBQU-HZPDHXFCSA-N 2 0 331.508 1.839 20 0 EDADRP COc1ccccc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866042342 596770289 /nfs/dbraw/zinc/77/02/89/596770289.db2.gz XPDKPRWWTWJPAZ-IAGOWNOFSA-N 2 0 348.491 1.576 20 0 EDADRP CC(C)[NH+]1CCC(CC[NH2+]C2CCN(S(C)(=O)=O)CC2)CC1 ZINC000866467830 596890970 /nfs/dbraw/zinc/89/09/70/596890970.db2.gz RNRIAWSDMLWVNU-UHFFFAOYSA-N 2 0 331.526 1.511 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)CC1CC2(CCC2)C1 ZINC000872502924 596939307 /nfs/dbraw/zinc/93/93/07/596939307.db2.gz AWKHJGBJGYUJBK-HNNXBMFYSA-N 2 0 345.553 1.758 20 0 EDADRP COC1([C@H](C)NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000875670561 596941028 /nfs/dbraw/zinc/94/10/28/596941028.db2.gz MZWNFWQARYEBJF-ARFHVFGLSA-N 2 0 340.512 1.325 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)[C@H](C)N1C(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000875810182 596993212 /nfs/dbraw/zinc/99/32/12/596993212.db2.gz XYDVTTWABAJNDM-XHHISWJOSA-N 2 0 347.507 1.395 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1C[C@H]([NH3+])C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873255789 597241188 /nfs/dbraw/zinc/24/11/88/597241188.db2.gz IAHSDEJRDTZHLJ-DDBAPUKQSA-N 2 0 347.459 1.739 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873261853 597241970 /nfs/dbraw/zinc/24/19/70/597241970.db2.gz HMIBIDNKZVNCBX-OWCLPIDISA-N 2 0 337.489 1.115 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000873261015 597242039 /nfs/dbraw/zinc/24/20/39/597242039.db2.gz AMWARVOLEVECFE-MSOLQXFVSA-N 2 0 345.468 1.872 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCCOCC2CC2)C[C@H]1C[NH+](C)C ZINC000875020923 597247716 /nfs/dbraw/zinc/24/77/16/597247716.db2.gz SFEZTUBYFMICSI-IAGOWNOFSA-N 2 0 340.512 1.184 20 0 EDADRP Cc1ccc(CCNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)o1 ZINC000875080338 597273817 /nfs/dbraw/zinc/27/38/17/597273817.db2.gz OJGSGTRDULPGQX-HZPDHXFCSA-N 2 0 336.480 1.511 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(O)c2)C[C@H]1C[NH+](C)C ZINC000875133751 597295788 /nfs/dbraw/zinc/29/57/88/597295788.db2.gz NZUAANQUYZWEQP-HZPDHXFCSA-N 2 0 334.464 1.273 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875134611 597296094 /nfs/dbraw/zinc/29/60/94/597296094.db2.gz YATBCQIUUBRYSM-GBESFXJTSA-N 2 0 344.503 1.895 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc2)C1 ZINC000876722435 597305968 /nfs/dbraw/zinc/30/59/68/597305968.db2.gz UTBAIVYULUVDCY-FCEWJHQRSA-N 2 0 346.519 1.670 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C[NH2+]CCO1 ZINC000876725703 597307333 /nfs/dbraw/zinc/30/73/33/597307333.db2.gz ORKINAWECXIJJD-LJQANCHMSA-N 2 0 347.459 1.616 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000876728047 597308987 /nfs/dbraw/zinc/30/89/87/597308987.db2.gz WNSJWMHIUBUCLV-QGZVFWFLSA-N 2 0 345.491 1.720 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)c2sc(C3CC[NH2+]CC3)nc2C)C1 ZINC000876728101 597309020 /nfs/dbraw/zinc/30/90/20/597309020.db2.gz YAEGNZXRULRBOZ-ZDUSSCGKSA-N 2 0 336.505 1.990 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000876765480 597330404 /nfs/dbraw/zinc/33/04/04/597330404.db2.gz YBLKADOZIKHKCA-LXXRFIIISA-N 2 0 335.492 1.694 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2c(C)cnn2[C@H]2CCC[NH2+]C2)C1 ZINC000876773395 597333837 /nfs/dbraw/zinc/33/38/37/597333837.db2.gz QBWRKIQULJQUEN-SJORKVTESA-N 2 0 347.507 1.920 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000876779869 597337703 /nfs/dbraw/zinc/33/77/03/597337703.db2.gz CVPCLUXLDOVSPW-IMJJTQAJSA-N 2 0 331.464 1.329 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C)C[C@@H](OC)C[NH2+]3)cc2)CC1 ZINC000876779456 597338113 /nfs/dbraw/zinc/33/81/13/597338113.db2.gz FUVGJZUTAAHSQF-IEBWSBKVSA-N 2 0 346.475 1.534 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3C[C@H]([NH3+])C3(C)C)cc2)CC1 ZINC000876782599 597338682 /nfs/dbraw/zinc/33/86/82/597338682.db2.gz XTFJNSXRWGUJDL-ROUUACIJSA-N 2 0 344.503 1.424 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2C[C@@H]([NH3+])C2(C)C)([NH+]2CCCCC2)CC1 ZINC000876784822 597339509 /nfs/dbraw/zinc/33/95/09/597339509.db2.gz KZZZRRZNWQHDBE-HZPDHXFCSA-N 2 0 336.524 1.426 20 0 EDADRP C[NH+]1CCN(c2ccc(NCC(C)(C)[NH+]3CCOCC3)cc2)CC1 ZINC000876838516 597354376 /nfs/dbraw/zinc/35/43/76/597354376.db2.gz LLIWCEMETBQNRG-UHFFFAOYSA-N 2 0 332.492 1.961 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000876883391 597368335 /nfs/dbraw/zinc/36/83/35/597368335.db2.gz GKFXNILFKRTFAH-OAGGEKHMSA-N 2 0 331.464 1.425 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000876961790 597398059 /nfs/dbraw/zinc/39/80/59/597398059.db2.gz XDFMHTQKMJRVNN-WJQBDSKDSA-N 2 0 343.471 1.281 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2cccc(C[NH3+])c2)cc1 ZINC000877009541 597410544 /nfs/dbraw/zinc/41/05/44/597410544.db2.gz QACONOOXJAJCPP-UHFFFAOYSA-N 2 0 340.427 1.689 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H](CO)C[C@@H](O)c2ccccc2)CC1 ZINC000877124447 597438453 /nfs/dbraw/zinc/43/84/53/597438453.db2.gz BHRYQSFWBQRLOI-ZWKOTPCHSA-N 2 0 336.476 1.296 20 0 EDADRP COC[C@]1(C(=O)NCCC2CC[NH+](C(C)C)CC2)CCCC[NH2+]1 ZINC000877200289 597459999 /nfs/dbraw/zinc/45/99/99/597459999.db2.gz IHBNWTFWFWMDMJ-SFHVURJKSA-N 2 0 325.497 1.772 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NCCOCC[NH+](C)C)CC1 ZINC000875524506 597464149 /nfs/dbraw/zinc/46/41/49/597464149.db2.gz XMDXNXINVUDVID-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)C[C@H]1C(F)(F)F ZINC000877354874 597499491 /nfs/dbraw/zinc/49/94/91/597499491.db2.gz DYVKKDYEESWHLE-VHSXEESVSA-N 2 0 333.379 1.603 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)C[C@@H]1C(F)(F)F ZINC000877358986 597500689 /nfs/dbraw/zinc/50/06/89/597500689.db2.gz FMKMBBAFNPLIIS-GJZGRUSLSA-N 2 0 341.377 1.584 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000877361534 597501690 /nfs/dbraw/zinc/50/16/90/597501690.db2.gz VAEHJGHTQJGBOM-INWMFGNUSA-N 2 0 341.377 1.513 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1)C1CCCC1 ZINC000877449288 597516995 /nfs/dbraw/zinc/51/69/95/597516995.db2.gz PXELTLWLZWMKKO-BPQIPLTHSA-N 2 0 337.508 1.901 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000877451921 597517442 /nfs/dbraw/zinc/51/74/42/597517442.db2.gz VZOOWLRMQSPFRF-RYQLBKOJSA-N 2 0 326.444 1.733 20 0 EDADRP CCOc1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1O ZINC000877670308 597546531 /nfs/dbraw/zinc/54/65/31/597546531.db2.gz IXIPYZNKSBKMAG-IAGOWNOFSA-N 2 0 335.492 1.962 20 0 EDADRP Cn1c2ccccc2nc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669730 597546556 /nfs/dbraw/zinc/54/65/56/597546556.db2.gz WVHXUADIQDBUPZ-HZPDHXFCSA-N 2 0 329.492 1.745 20 0 EDADRP C[NH+](C)C1(C)CCC([NH2+]Cc2cccc(S(N)(=O)=O)c2)CC1 ZINC000877711529 597549310 /nfs/dbraw/zinc/54/93/10/597549310.db2.gz MYGKQASULIDMHH-UHFFFAOYSA-N 2 0 325.478 1.687 20 0 EDADRP CCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000878123836 597579944 /nfs/dbraw/zinc/57/99/44/597579944.db2.gz ACHMKQGXFSMDEJ-JQHSSLGASA-N 2 0 337.508 1.722 20 0 EDADRP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H](O)CC2(O)CCOCC2)cc1 ZINC000878314659 597594703 /nfs/dbraw/zinc/59/47/03/597594703.db2.gz RZYVRMXQPVDHAS-SFHVURJKSA-N 2 0 336.476 1.473 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc4oc(=O)oc4c3)C2)CC1 ZINC000882994055 597610528 /nfs/dbraw/zinc/61/05/28/597610528.db2.gz RCQARNSWMINOCU-AWEZNQCLSA-N 2 0 331.416 1.644 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000883226272 597689689 /nfs/dbraw/zinc/68/96/89/597689689.db2.gz VIANUBCFGYFQKA-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000883323042 597713808 /nfs/dbraw/zinc/71/38/08/597713808.db2.gz DLOXEEKPCMYOKN-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000883332529 597716536 /nfs/dbraw/zinc/71/65/36/597716536.db2.gz WZQURBUPGKQDDJ-GOEBONIOSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000883344290 597720431 /nfs/dbraw/zinc/72/04/31/597720431.db2.gz UWDMYKWYPBSKHH-QGZVFWFLSA-N 2 0 343.475 1.673 20 0 EDADRP COCC[N@H+](C[C@@H]1CC(C(=O)OC)=C(C)O1)CC1CC[NH+](C)CC1 ZINC000879125460 597826815 /nfs/dbraw/zinc/82/68/15/597826815.db2.gz BPFLPBSUGIVXTB-INIZCTEOSA-N 2 0 340.464 1.513 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000127637608 597874021 /nfs/dbraw/zinc/87/40/21/597874021.db2.gz WSGGJHPTVKUCQQ-CYBMUJFWSA-N 2 0 331.416 1.534 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(C)n1 ZINC000880292372 597894197 /nfs/dbraw/zinc/89/41/97/597894197.db2.gz YSAFSDWCBNHIRH-HUUCEWRRSA-N 2 0 334.468 1.297 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC(C)(C)CO1 ZINC000883849466 597919612 /nfs/dbraw/zinc/91/96/12/597919612.db2.gz CHHGFZRTVNEUAI-OAHLLOKOSA-N 2 0 328.501 1.326 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000880473096 597940276 /nfs/dbraw/zinc/94/02/76/597940276.db2.gz PEKJNTIJIWPBDV-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000884204866 598027689 /nfs/dbraw/zinc/02/76/89/598027689.db2.gz GORGLYBHLKNSFD-HNNXBMFYSA-N 2 0 332.448 1.761 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC2)c1 ZINC000884211927 598030687 /nfs/dbraw/zinc/03/06/87/598030687.db2.gz RFOXDSYRPGZZRH-INIZCTEOSA-N 2 0 334.464 1.748 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NCC2([NH+](C)C)CCOCC2)c1 ZINC000884219378 598032876 /nfs/dbraw/zinc/03/28/76/598032876.db2.gz NOPXYRPXTZXIPX-UHFFFAOYSA-N 2 0 335.448 1.125 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000884224990 598035813 /nfs/dbraw/zinc/03/58/13/598035813.db2.gz DWTAZHYOKNYPOR-UHFFFAOYSA-N 2 0 347.459 1.222 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884254881 598044585 /nfs/dbraw/zinc/04/45/85/598044585.db2.gz UJGWKRCFTJXXHQ-OASPWFOLSA-N 2 0 326.238 1.563 20 0 EDADRP Cc1cnc(Cl)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000881020791 598054347 /nfs/dbraw/zinc/05/43/47/598054347.db2.gz PNZVLALMDHHTEZ-ZIAGYGMSSA-N 2 0 338.883 1.855 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1 ZINC000884309921 598062166 /nfs/dbraw/zinc/06/21/66/598062166.db2.gz JJKZKDPEVSIWSZ-INIZCTEOSA-N 2 0 333.432 1.339 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)CC1 ZINC000884461856 598111513 /nfs/dbraw/zinc/11/15/13/598111513.db2.gz PKPTXRAZVNXKFN-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C)C[NH+](C)C ZINC000914072732 695062856 /nfs/dbraw/zinc/06/28/56/695062856.db2.gz WSEFWZNHKGDRLU-IRXDYDNUSA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000914075981 695071330 /nfs/dbraw/zinc/07/13/30/695071330.db2.gz MYBQQYJUIBMHLN-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914150604 695159530 /nfs/dbraw/zinc/15/95/30/695159530.db2.gz PLJKIWFUJHBDNX-FPCVCCKLSA-N 2 0 338.521 1.492 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccon3)[C@H]2C1)C1CCC1 ZINC000992719485 695235568 /nfs/dbraw/zinc/23/55/68/695235568.db2.gz ZPUKPUYUCXOBBK-WBAXXEDZSA-N 2 0 346.475 1.876 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000914191663 695267464 /nfs/dbraw/zinc/26/74/64/695267464.db2.gz BVGYNWGEHIRWGO-CABCVRRESA-N 2 0 340.537 1.740 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCF)[C@H]2C1 ZINC000992852146 695408313 /nfs/dbraw/zinc/40/83/13/695408313.db2.gz CBNYAWXGRMWCGV-BPUTZDHNSA-N 2 0 334.439 1.947 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@H]3C2)CC1 ZINC000992876083 695425473 /nfs/dbraw/zinc/42/54/73/695425473.db2.gz NOCFUTFWYKKQEG-BHYGNILZSA-N 2 0 341.471 1.283 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992906221 695443929 /nfs/dbraw/zinc/44/39/29/695443929.db2.gz LJTSZDINELRRIQ-CGTJXYLNSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(NCC1C[NH+](CC2CCCCC2)C1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031857572 700017627 /nfs/dbraw/zinc/01/76/27/700017627.db2.gz ZDIXNBINSUHLMS-IPCDKGFNSA-N 2 0 347.503 1.478 20 0 EDADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@@H]1C ZINC000993980705 696480399 /nfs/dbraw/zinc/48/03/99/696480399.db2.gz BPGUIARICAVKMB-RDJZCZTQSA-N 2 0 335.496 1.828 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C(C)C ZINC000916165737 696632463 /nfs/dbraw/zinc/63/24/63/696632463.db2.gz WKXJQDPRGAEVMD-CABCVRRESA-N 2 0 328.526 1.596 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000940008364 700109768 /nfs/dbraw/zinc/10/97/68/700109768.db2.gz KPJNNZGPYVSJNM-MRXNPFEDSA-N 2 0 333.480 1.293 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](CC2CCOCC2)C1 ZINC001031437385 697100618 /nfs/dbraw/zinc/10/06/18/697100618.db2.gz ALKDABDNBQTJPT-UHFFFAOYSA-N 2 0 331.460 1.589 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NC(C)(C)/C=C\Cl)C2)CC1 ZINC000918906693 697222440 /nfs/dbraw/zinc/22/24/40/697222440.db2.gz QNTVZMSWVDOMOU-WSROAFLRSA-N 2 0 328.888 1.985 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[N@H+](CCC3CCOCC3)C2)CC1 ZINC001015797225 697406238 /nfs/dbraw/zinc/40/62/38/697406238.db2.gz ZWMGQJRZQJVOSV-SFHVURJKSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(CN2CC(CNC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)C2)on1 ZINC001031668684 697462485 /nfs/dbraw/zinc/46/24/85/697462485.db2.gz LZMMKMUNSHOMSX-HZPDHXFCSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC001031688937 697528204 /nfs/dbraw/zinc/52/82/04/697528204.db2.gz OFSYVAMRKONYJM-OALUTQOASA-N 2 0 343.471 1.406 20 0 EDADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689609 697531150 /nfs/dbraw/zinc/53/11/50/697531150.db2.gz XKBWPJGBVACAIG-OALUTQOASA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000921242499 697537207 /nfs/dbraw/zinc/53/72/07/697537207.db2.gz PRTOKBICQFCQQW-HOCLYGCPSA-N 2 0 326.485 1.268 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000921422624 697601591 /nfs/dbraw/zinc/60/15/91/697601591.db2.gz BEFKRFRHUQSVHN-WCVJEAGWSA-N 2 0 340.537 1.594 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)C1 ZINC001031729623 698055382 /nfs/dbraw/zinc/05/53/82/698055382.db2.gz RDPYALYKAZHXQQ-FUHWJXTLSA-N 2 0 337.508 1.439 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000940115390 700230565 /nfs/dbraw/zinc/23/05/65/700230565.db2.gz KGLFQDRUVNGBPZ-QGZVFWFLSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CC[C@H](C)O3)C2)CC1 ZINC001032094518 698597282 /nfs/dbraw/zinc/59/72/82/698597282.db2.gz JPJMYVZGMZENQN-YJBOKZPZSA-N 2 0 337.508 1.722 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001031777181 699162444 /nfs/dbraw/zinc/16/24/44/699162444.db2.gz YAGCCWRXTNJWGN-LJQANCHMSA-N 2 0 345.487 1.865 20 0 EDADRP CN(C)c1cc(CN2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001031776700 699168795 /nfs/dbraw/zinc/16/87/95/699168795.db2.gz MOZQTUCACDGVSH-KRWDZBQOSA-N 2 0 345.491 1.180 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567494 701579921 /nfs/dbraw/zinc/57/99/21/701579921.db2.gz VFZSYNQPXWIVTO-FUHWJXTLSA-N 2 0 336.524 1.059 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939256674 699433431 /nfs/dbraw/zinc/43/34/31/699433431.db2.gz DOEMUUAAGWTNOC-WMLDXEAASA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939399102 699548210 /nfs/dbraw/zinc/54/82/10/699548210.db2.gz VUYKKIDUGIJILI-ZBFHGGJFSA-N 2 0 336.505 1.812 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CC3)C2)n1 ZINC000994942204 699552848 /nfs/dbraw/zinc/55/28/48/699552848.db2.gz ZPUFIXHSGIYAAY-HZPDHXFCSA-N 2 0 333.480 1.343 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@@H]([NH2+]Cc3nccn3C)C2)CC1 ZINC000939453425 699599468 /nfs/dbraw/zinc/59/94/68/699599468.db2.gz HINVQUXDKQYTQL-WBVHZDCISA-N 2 0 347.507 1.477 20 0 EDADRP Cc1nc(CN[C@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)c(C)o1 ZINC000939533976 699672100 /nfs/dbraw/zinc/67/21/00/699672100.db2.gz HHOUOPCNFAVVES-ZBEGNZNMSA-N 2 0 331.420 1.204 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939545808 699687788 /nfs/dbraw/zinc/68/77/88/699687788.db2.gz OWWFTPSOSDZOHA-SUMWQHHRSA-N 2 0 349.425 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939546804 699688697 /nfs/dbraw/zinc/68/86/97/699688697.db2.gz UAQHLLYQSZINCL-UKRRQHHQSA-N 2 0 348.878 1.767 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCC1CCOCC1 ZINC000939549800 699689142 /nfs/dbraw/zinc/68/91/42/699689142.db2.gz CYXOKFAGAMIONW-WBVHZDCISA-N 2 0 335.492 1.335 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCc1cccs1 ZINC000939550131 699698629 /nfs/dbraw/zinc/69/86/29/699698629.db2.gz GKXAGUARNRCKEM-HOCLYGCPSA-N 2 0 333.501 1.823 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939549973 699698880 /nfs/dbraw/zinc/69/88/80/699698880.db2.gz FCSDBLJBBMEFJX-BBRMVZONSA-N 2 0 342.447 1.131 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]CCc1ccns1 ZINC000939550936 699700119 /nfs/dbraw/zinc/70/01/19/699700119.db2.gz QJRZATGBQHPMHX-HIFRSBDPSA-N 2 0 334.489 1.218 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)C1 ZINC000941675050 701614841 /nfs/dbraw/zinc/61/48/41/701614841.db2.gz REOOBSXUAGHMFR-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(C)s1 ZINC000939753011 699902595 /nfs/dbraw/zinc/90/25/95/699902595.db2.gz CKVUGYYPBWRQPK-BLLLJJGKSA-N 2 0 336.505 1.792 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c(C)n1 ZINC000939753510 699902969 /nfs/dbraw/zinc/90/29/69/699902969.db2.gz GENLVIVNHKDLNN-KBXCAEBGSA-N 2 0 330.476 1.731 20 0 EDADRP COCc1cccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c1 ZINC000939753718 699903553 /nfs/dbraw/zinc/90/35/53/699903553.db2.gz HTKREALZFUJUSK-APWZRJJASA-N 2 0 345.487 1.865 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)ccn1 ZINC000939755889 699922489 /nfs/dbraw/zinc/92/24/89/699922489.db2.gz RMDDHCKJDXYWLI-GDBMZVCRSA-N 2 0 332.448 1.123 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc2c(c1)COC2 ZINC000939757013 699923854 /nfs/dbraw/zinc/92/38/54/699923854.db2.gz WNGKRJJPVCWBOZ-DNVCBOLYSA-N 2 0 343.471 1.749 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850519 699943568 /nfs/dbraw/zinc/94/35/68/699943568.db2.gz DSFYTMUZVAWSEE-UHFFFAOYSA-N 2 0 328.416 1.423 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939808457 699957176 /nfs/dbraw/zinc/95/71/76/699957176.db2.gz DVWCCROJVNNRDQ-IAGOWNOFSA-N 2 0 347.507 1.716 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000940149918 700282981 /nfs/dbraw/zinc/28/29/81/700282981.db2.gz RTCCPPRYYZTNHI-MRXNPFEDSA-N 2 0 348.495 1.109 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000940159601 700291831 /nfs/dbraw/zinc/29/18/31/700291831.db2.gz LRBQRNSLALMEBS-KRWDZBQOSA-N 2 0 347.507 1.765 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000940176243 700308215 /nfs/dbraw/zinc/30/82/15/700308215.db2.gz BAEGAYYVHRVTHB-CYBMUJFWSA-N 2 0 325.482 1.349 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200208 700358484 /nfs/dbraw/zinc/35/84/84/700358484.db2.gz DOISMSZFJQFINC-UHFFFAOYSA-N 2 0 347.463 1.477 20 0 EDADRP Cn1ccnc1CCC(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940228133 700393035 /nfs/dbraw/zinc/39/30/35/700393035.db2.gz GWKKRJTXLWGKQJ-UHFFFAOYSA-N 2 0 342.447 1.314 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)CCc3nccn3C)CC2)no1 ZINC000940228669 700393773 /nfs/dbraw/zinc/39/37/73/700393773.db2.gz PDRMTLFHOQVRJL-UHFFFAOYSA-N 2 0 345.447 1.820 20 0 EDADRP Cn1cnnc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000940247399 700412236 /nfs/dbraw/zinc/41/22/36/700412236.db2.gz GHEMQOJHQRIJCZ-UHFFFAOYSA-N 2 0 348.495 1.160 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(CC)n2)CC1)[NH+](C)C ZINC000940337261 700495111 /nfs/dbraw/zinc/49/51/11/700495111.db2.gz CMYRLWDTKNYXLU-HNNXBMFYSA-N 2 0 336.484 1.109 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC000995169140 701645913 /nfs/dbraw/zinc/64/59/13/701645913.db2.gz RAQZTRKQORXFNO-NVXWUHKLSA-N 2 0 328.460 1.552 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940327781 700505216 /nfs/dbraw/zinc/50/52/16/700505216.db2.gz UAZNFJRCYATOPE-QWHCGFSZSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1C ZINC000940328350 700506379 /nfs/dbraw/zinc/50/63/79/700506379.db2.gz HMXHQXWRVWATJB-HNNXBMFYSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329693 700509544 /nfs/dbraw/zinc/50/95/44/700509544.db2.gz XEVWNTLKDMFQOQ-ZDUSSCGKSA-N 2 0 337.493 1.493 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000940333922 700513916 /nfs/dbraw/zinc/51/39/16/700513916.db2.gz BAEGAYYVHRVTHB-ZDUSSCGKSA-N 2 0 325.482 1.349 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(OC)no2)CC1)[NH+](C)C ZINC000940334509 700514470 /nfs/dbraw/zinc/51/44/70/700514470.db2.gz NQPHZPOSAQXPNK-AWEZNQCLSA-N 2 0 338.452 1.494 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)C1 ZINC000940426126 700619533 /nfs/dbraw/zinc/61/95/33/700619533.db2.gz GLRWUPOPFCUVSC-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000940426727 700620590 /nfs/dbraw/zinc/62/05/90/700620590.db2.gz ZISNMBCNANYANV-MRXNPFEDSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457488 700661288 /nfs/dbraw/zinc/66/12/88/700661288.db2.gz HVCPGJNSLZKNFS-HNNXBMFYSA-N 2 0 334.464 1.714 20 0 EDADRP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000940461499 700664480 /nfs/dbraw/zinc/66/44/80/700664480.db2.gz DCYYZKWGQIGYDX-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940462065 700665998 /nfs/dbraw/zinc/66/59/98/700665998.db2.gz YZQSHGYDNBGTER-UHFFFAOYSA-N 2 0 337.493 1.413 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081422 700711501 /nfs/dbraw/zinc/71/15/01/700711501.db2.gz VADLTKKBDXNRPZ-GDBMZVCRSA-N 2 0 334.464 1.699 20 0 EDADRP CCn1nncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082443 700725126 /nfs/dbraw/zinc/72/51/26/700725126.db2.gz YSTRBMYCOKCZOL-HOCLYGCPSA-N 2 0 348.495 1.014 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940618198 700799930 /nfs/dbraw/zinc/79/99/30/700799930.db2.gz QLFUNPAGQPKDDE-CVEARBPZSA-N 2 0 333.480 1.194 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C(C)(C)C1 ZINC000940894859 700985856 /nfs/dbraw/zinc/98/58/56/700985856.db2.gz HULUFXCAFDUNPI-BBRMVZONSA-N 2 0 330.432 1.545 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941025994 701065474 /nfs/dbraw/zinc/06/54/74/701065474.db2.gz HQHSYINAUUHONO-DLBZAZTESA-N 2 0 347.507 1.442 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033264 701075804 /nfs/dbraw/zinc/07/58/04/701075804.db2.gz MYZRUIOZHDTPAQ-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cnn(C)c3)CC2(C)C)C1 ZINC000941033265 701075900 /nfs/dbraw/zinc/07/59/00/701075900.db2.gz MYZRUIOZHDTPAQ-NVXWUHKLSA-N 2 0 347.507 1.479 20 0 EDADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@H]2CN(CC)CCO2)C1 ZINC001032197539 701695408 /nfs/dbraw/zinc/69/54/08/701695408.db2.gz NIOBJETWTDKRAG-RTBURBONSA-N 2 0 345.487 1.906 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)[C@H](C)C1 ZINC000945806334 701196086 /nfs/dbraw/zinc/19/60/86/701196086.db2.gz CQEVJZPUGVQLMP-PBHICJAKSA-N 2 0 327.432 1.613 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999167519 706594630 /nfs/dbraw/zinc/59/46/30/706594630.db2.gz GBUICKOQGRIVBB-ABHNRTSZSA-N 2 0 345.491 1.374 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999169378 706597969 /nfs/dbraw/zinc/59/79/69/706597969.db2.gz QBVWIKOHKVKUJN-HTWSVDAQSA-N 2 0 346.475 1.936 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCCCO2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941215115 701401363 /nfs/dbraw/zinc/40/13/63/701401363.db2.gz LRAAUGAYSXMICH-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(CN2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C(C)(C)C2)no1 ZINC000941216025 701402233 /nfs/dbraw/zinc/40/22/33/701402233.db2.gz BZWXUNMZJWJPSZ-HOCLYGCPSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC001031949024 701522586 /nfs/dbraw/zinc/52/25/86/701522586.db2.gz ZEICCACBVSCFLL-ZDUSSCGKSA-N 2 0 329.435 1.812 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941460038 701544202 /nfs/dbraw/zinc/54/42/02/701544202.db2.gz MLHBXJUENHUJHD-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccc(CF)cc2)C1)C12CC[NH+](CC1)C2 ZINC001032130289 701839915 /nfs/dbraw/zinc/83/99/15/701839915.db2.gz JKYCYVPYFSMZFM-UHFFFAOYSA-N 2 0 331.435 1.800 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCC[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032130994 701849099 /nfs/dbraw/zinc/84/90/99/701849099.db2.gz DMFKJVNLSDUDNT-WMZOPIPTSA-N 2 0 349.519 1.726 20 0 EDADRP COc1cc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)ccc1C ZINC001031976264 701952561 /nfs/dbraw/zinc/95/25/61/701952561.db2.gz IAUFTIOMKOPZOX-QAPCUYQASA-N 2 0 345.487 1.749 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001032204658 701990396 /nfs/dbraw/zinc/99/03/96/701990396.db2.gz BINKYQPCQGCNAW-SFHVURJKSA-N 2 0 345.487 1.979 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)CCC3)C1 ZINC001031977126 702011638 /nfs/dbraw/zinc/01/16/38/702011638.db2.gz WZRDPTZGRJRUTI-FOIQADDNSA-N 2 0 341.499 1.921 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@H]2CCOC2)C1 ZINC001032205068 702044204 /nfs/dbraw/zinc/04/42/04/702044204.db2.gz NOIPJNFJPQQUSO-OAHLLOKOSA-N 2 0 331.460 1.446 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031978303 702079438 /nfs/dbraw/zinc/07/94/38/702079438.db2.gz RSGYYSUGCQJULZ-HNAYVOBHSA-N 2 0 344.503 1.498 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995829780 702103645 /nfs/dbraw/zinc/10/36/45/702103645.db2.gz DFAJEMLFCJWRJA-IIAWOOMASA-N 2 0 334.464 1.650 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995898514 702202738 /nfs/dbraw/zinc/20/27/38/702202738.db2.gz UZKCUGNANDXUQE-IRXDYDNUSA-N 2 0 348.491 1.958 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899388 702204746 /nfs/dbraw/zinc/20/47/46/702204746.db2.gz WGBRZQZVBQCFPE-CVEARBPZSA-N 2 0 333.480 1.087 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)C1CCC1 ZINC000995918407 702238003 /nfs/dbraw/zinc/23/80/03/702238003.db2.gz NPBZIUVGLMUEAJ-QGZVFWFLSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1)C1CCC1 ZINC000995920115 702240541 /nfs/dbraw/zinc/24/05/41/702240541.db2.gz SLSPUEQSOPWYLY-HNNXBMFYSA-N 2 0 331.464 1.288 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920749 702242551 /nfs/dbraw/zinc/24/25/51/702242551.db2.gz UZYPNUAFLHJXTQ-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995928312 702258121 /nfs/dbraw/zinc/25/81/21/702258121.db2.gz TUUSBEGXMOHDRA-CVEARBPZSA-N 2 0 336.480 1.896 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2nccnc2C)C(C)(C)C1)[NH+](C)C ZINC000995946008 702292821 /nfs/dbraw/zinc/29/28/21/702292821.db2.gz FNQHTRLPOVKRRL-HZPDHXFCSA-N 2 0 333.480 1.452 20 0 EDADRP CCC[NH2+][C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1(C)C ZINC000995959831 702326858 /nfs/dbraw/zinc/32/68/58/702326858.db2.gz SKCXXGSZPCOJRA-HNNXBMFYSA-N 2 0 325.497 1.581 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000995985585 702346793 /nfs/dbraw/zinc/34/67/93/702346793.db2.gz WJJBZQRHARIISH-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP CC1(C)CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@@H]1[NH2+]CCF ZINC000996043445 702461018 /nfs/dbraw/zinc/46/10/18/702461018.db2.gz UZEUQWALJQUYCL-HNNXBMFYSA-N 2 0 331.395 1.677 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC)C(C)(C)C1 ZINC000996089483 702498663 /nfs/dbraw/zinc/49/86/63/702498663.db2.gz IUXPVLRQQUGAPC-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058582 702509890 /nfs/dbraw/zinc/50/98/90/702509890.db2.gz YPSINNQTYDZPSH-LSDHHAIUSA-N 2 0 339.459 1.245 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996101997 702519692 /nfs/dbraw/zinc/51/96/92/702519692.db2.gz SSFGXSIPBARTSC-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000996196490 702623314 /nfs/dbraw/zinc/62/33/14/702623314.db2.gz NRTHGXJVOIMAJN-JYJNAYRXSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)ncn1 ZINC000995207577 702654580 /nfs/dbraw/zinc/65/45/80/702654580.db2.gz FFAWXDTUWRGFPD-HZPDHXFCSA-N 2 0 331.464 1.255 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293004 702684936 /nfs/dbraw/zinc/68/49/36/702684936.db2.gz AEFCBTRPPDQPIA-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)cn1 ZINC000996300045 702690980 /nfs/dbraw/zinc/69/09/80/702690980.db2.gz JDHOURLQQXTKTB-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)nn1C ZINC000996300959 702692526 /nfs/dbraw/zinc/69/25/26/702692526.db2.gz PQORZXRAWPRMNX-PBHICJAKSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)nn1C ZINC000996301107 702693057 /nfs/dbraw/zinc/69/30/57/702693057.db2.gz PQORZXRAWPRMNX-YOEHRIQHSA-N 2 0 347.507 1.539 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H](NCc2ncccn2)C(C)(C)C1 ZINC000996301474 702693463 /nfs/dbraw/zinc/69/34/63/702693463.db2.gz UDUULIYMWLVKEE-GJZGRUSLSA-N 2 0 331.464 1.288 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1)[NH+](C)C ZINC000996312892 702701369 /nfs/dbraw/zinc/70/13/69/702701369.db2.gz BLASDXPXWRHBRP-LSDHHAIUSA-N 2 0 338.521 1.852 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccc(OC)nc2)C(C)(C)C1)[NH+](C)C ZINC000996316059 702704096 /nfs/dbraw/zinc/70/40/96/702704096.db2.gz WHYXXPAMDSZZME-HOTGVXAUSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC000995217347 702737406 /nfs/dbraw/zinc/73/74/06/702737406.db2.gz WNYGOFRIXDBXPO-HOTGVXAUSA-N 2 0 333.480 1.199 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H](C)C1 ZINC000942258935 702768796 /nfs/dbraw/zinc/76/87/96/702768796.db2.gz QUARPUGWJYEGIJ-HOCLYGCPSA-N 2 0 346.475 1.938 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996465099 702792249 /nfs/dbraw/zinc/79/22/49/702792249.db2.gz QJBOHWFRJIVDEF-GOSISDBHSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000996465539 702792762 /nfs/dbraw/zinc/79/27/62/702792762.db2.gz UUMUXACOSZNTAI-QGZVFWFLSA-N 2 0 333.480 1.374 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518246 702853782 /nfs/dbraw/zinc/85/37/82/702853782.db2.gz IUFQMRXYLNNQDA-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000996560978 702874734 /nfs/dbraw/zinc/87/47/34/702874734.db2.gz MERYMGSDNCIHIB-QZTJIDSGSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996608720 702912315 /nfs/dbraw/zinc/91/23/15/702912315.db2.gz DTGFTBWBHGQKAB-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)c1 ZINC000996605378 702914834 /nfs/dbraw/zinc/91/48/34/702914834.db2.gz DJLQHZFRQCXGLV-CRAIPNDOSA-N 2 0 330.476 1.811 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996618240 702924924 /nfs/dbraw/zinc/92/49/24/702924924.db2.gz WWIMILIWFIOTQX-GDBMZVCRSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)c1 ZINC000996619046 702925568 /nfs/dbraw/zinc/92/55/68/702925568.db2.gz YIHCUHWVZBCKAJ-IAGOWNOFSA-N 2 0 330.476 1.668 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccccc1F ZINC001032315305 702968822 /nfs/dbraw/zinc/96/88/22/702968822.db2.gz IAKYTGWKDDHVAT-BQFCYCMXSA-N 2 0 331.435 1.748 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996674784 702970100 /nfs/dbraw/zinc/97/01/00/702970100.db2.gz WXGABGGFMMUIEL-PBHICJAKSA-N 2 0 333.476 1.569 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996669996 702971297 /nfs/dbraw/zinc/97/12/97/702971297.db2.gz JQIPGTDEIQHWJQ-INIZCTEOSA-N 2 0 347.507 1.623 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC2(C)C)cn1 ZINC000996669546 702971459 /nfs/dbraw/zinc/97/14/59/702971459.db2.gz HBGAZENBAOMUQU-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)on1 ZINC000996671628 702972853 /nfs/dbraw/zinc/97/28/53/702972853.db2.gz IPFVNNIDRFUSCY-UHFFFAOYSA-N 2 0 336.436 1.248 20 0 EDADRP Cc1noc([C@@H](C)NC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996676308 702975227 /nfs/dbraw/zinc/97/52/27/702975227.db2.gz HAALKMYUZKQCIN-IAQYHMDHSA-N 2 0 335.452 1.360 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000996679784 702978592 /nfs/dbraw/zinc/97/85/92/702978592.db2.gz QSONJAGIBWDTHN-QGZVFWFLSA-N 2 0 348.495 1.280 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996714110 703009268 /nfs/dbraw/zinc/00/92/68/703009268.db2.gz AIPWUWLQILLYOT-UHFFFAOYSA-N 2 0 345.491 1.377 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1 ZINC000996727657 703022570 /nfs/dbraw/zinc/02/25/70/703022570.db2.gz HZKPCGACSBORQO-INIZCTEOSA-N 2 0 347.463 1.050 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1)C(N)=O ZINC000996752874 703042259 /nfs/dbraw/zinc/04/22/59/703042259.db2.gz QPTBTFRCZKVLMY-CYBMUJFWSA-N 2 0 338.496 1.094 20 0 EDADRP O=C(N1C[C@H](C(F)(F)F)[C@@H](C[NH2+]CC2CC2)C1)C12CC[NH+](CC1)C2 ZINC000996853389 703131833 /nfs/dbraw/zinc/13/18/33/703131833.db2.gz CMARXJMVQKNNOA-KBPBESRZSA-N 2 0 345.409 1.719 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867061 703139757 /nfs/dbraw/zinc/13/97/57/703139757.db2.gz BDBWDNZXGXTFGP-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1 ZINC000996858056 703142514 /nfs/dbraw/zinc/14/25/14/703142514.db2.gz NXYNZOWWUAKSBX-UONOGXRCSA-N 2 0 333.398 1.719 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042537 703203191 /nfs/dbraw/zinc/20/31/91/703203191.db2.gz DEVBNOJXYPWZFF-ROUUACIJSA-N 2 0 345.491 1.028 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1 ZINC000996978925 703234027 /nfs/dbraw/zinc/23/40/27/703234027.db2.gz PSLZUYYYCJQJEZ-QGZVFWFLSA-N 2 0 349.479 1.152 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996994847 703251427 /nfs/dbraw/zinc/25/14/27/703251427.db2.gz KSZUAVREXCPJAI-AWEZNQCLSA-N 2 0 333.480 1.293 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000996996855 703260170 /nfs/dbraw/zinc/26/01/70/703260170.db2.gz ATCNMUPFNOVAKG-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997007783 703265276 /nfs/dbraw/zinc/26/52/76/703265276.db2.gz JMWFPQFKBZJAJB-SUMWQHHRSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997007771 703265284 /nfs/dbraw/zinc/26/52/84/703265284.db2.gz JMWFPQFKBZJAJB-DYVFJYSZSA-N 2 0 333.480 1.007 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)[nH]2)CC1)[NH+](C)C ZINC000997008589 703266760 /nfs/dbraw/zinc/26/67/60/703266760.db2.gz CFRCFQNAPGKBEG-AWEZNQCLSA-N 2 0 336.484 1.349 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)CC1 ZINC000997114756 703367632 /nfs/dbraw/zinc/36/76/32/703367632.db2.gz GVPIGPMPFVZQOI-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997171016 703452924 /nfs/dbraw/zinc/45/29/24/703452924.db2.gz OUHFREYNQRWWDZ-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997183562 703468850 /nfs/dbraw/zinc/46/88/50/703468850.db2.gz KUTSCGWKCYTDHP-OAHLLOKOSA-N 2 0 348.495 1.281 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997184445 703472988 /nfs/dbraw/zinc/47/29/88/703472988.db2.gz AHUJDRCMYGEHPE-UHFFFAOYSA-N 2 0 343.431 1.838 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185821 703474870 /nfs/dbraw/zinc/47/48/70/703474870.db2.gz SEQHNOAVQKTPSU-HOTGVXAUSA-N 2 0 345.491 1.768 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1 ZINC000997187413 703477378 /nfs/dbraw/zinc/47/73/78/703477378.db2.gz QXJLIYDDPBNBNA-CQSZACIVSA-N 2 0 332.448 1.378 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997192885 703490238 /nfs/dbraw/zinc/49/02/38/703490238.db2.gz LSNCGDSGFPAXRI-UHFFFAOYSA-N 2 0 344.459 1.267 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(F)c3)CC2)C1 ZINC000997296748 703555332 /nfs/dbraw/zinc/55/53/32/703555332.db2.gz BSFZRTDNVLESLJ-AWEZNQCLSA-N 2 0 337.414 1.997 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccc(F)cc3)CC2)C1 ZINC000997297940 703556274 /nfs/dbraw/zinc/55/62/74/703556274.db2.gz HPJGCLWNTJFNJG-MAUKXSAKSA-N 2 0 349.450 1.391 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997306662 703565260 /nfs/dbraw/zinc/56/52/60/703565260.db2.gz HUOINYXFXPKXKU-UHFFFAOYSA-N 2 0 334.468 1.035 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]Cc2ccccc2)CC1 ZINC000997314435 703569048 /nfs/dbraw/zinc/56/90/48/703569048.db2.gz YGWRKQZVBMUBQP-KRWDZBQOSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CCc2cnn(C)c2)CC1 ZINC000997360181 703590649 /nfs/dbraw/zinc/59/06/49/703590649.db2.gz MIGNHVQIVUAMQX-IYBDPMFKSA-N 2 0 347.507 1.416 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)nn1 ZINC000997361583 703595641 /nfs/dbraw/zinc/59/56/41/703595641.db2.gz WHQWYKQIHUGYOA-GASCZTMLSA-N 2 0 348.495 1.251 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1cnccn1 ZINC000997363453 703597127 /nfs/dbraw/zinc/59/71/27/703597127.db2.gz GETQFUSMFKQGIA-INIZCTEOSA-N 2 0 345.491 1.994 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000997365378 703598997 /nfs/dbraw/zinc/59/89/97/703598997.db2.gz UBCHQGQRTUGBBY-INIZCTEOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997366830 703600736 /nfs/dbraw/zinc/60/07/36/703600736.db2.gz NHXUZNZVPKKHGA-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032459410 703639177 /nfs/dbraw/zinc/63/91/77/703639177.db2.gz BILKGPVMGXAQLJ-FJIDUMEYSA-N 2 0 337.508 1.673 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000997432931 703664060 /nfs/dbraw/zinc/66/40/60/703664060.db2.gz GJYNVCHAQXXYDD-HZPDHXFCSA-N 2 0 347.503 1.959 20 0 EDADRP C[C@@H](F)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC001032474982 703695051 /nfs/dbraw/zinc/69/50/51/703695051.db2.gz CXEFVXFRDDPSDX-PMPSAXMXSA-N 2 0 341.471 1.378 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997588577 703876862 /nfs/dbraw/zinc/87/68/62/703876862.db2.gz XZSUGRGIZSKVNM-DOTOQJQBSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC[NH+](CCO)CC1 ZINC000997617058 703918449 /nfs/dbraw/zinc/91/84/49/703918449.db2.gz AMPJZIBIEYHDPU-YJBOKZPZSA-N 2 0 337.508 1.602 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004201893 703932080 /nfs/dbraw/zinc/93/20/80/703932080.db2.gz SEXFCMYQAOTWFA-OAHLLOKOSA-N 2 0 333.476 1.977 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997641517 703949740 /nfs/dbraw/zinc/94/97/40/703949740.db2.gz FWUXTRWVFLWSDQ-YJBOKZPZSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997652764 703967826 /nfs/dbraw/zinc/96/78/26/703967826.db2.gz FFGKWBIBILFUGO-RDJZCZTQSA-N 2 0 325.497 1.316 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC2CCOCC2)C(C)(C)C1 ZINC000995554304 703969017 /nfs/dbraw/zinc/96/90/17/703969017.db2.gz VOZCDLGBNVHLMJ-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033068798 704080135 /nfs/dbraw/zinc/08/01/35/704080135.db2.gz DDUKRMANXWVUPR-ZWKOTPCHSA-N 2 0 347.507 1.368 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033079928 704143943 /nfs/dbraw/zinc/14/39/43/704143943.db2.gz AIWKOBGSROZZDC-ROUUACIJSA-N 2 0 328.460 1.456 20 0 EDADRP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC[C@@H]2C1 ZINC000946591341 704191986 /nfs/dbraw/zinc/19/19/86/704191986.db2.gz UCOLPBBKYQAVHY-OQIJWPOYSA-N 2 0 349.519 1.534 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946598130 704298966 /nfs/dbraw/zinc/29/89/66/704298966.db2.gz YKJFLHYXMZDZTR-XMTFNYHQSA-N 2 0 335.492 1.430 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922834306 704399581 /nfs/dbraw/zinc/39/95/81/704399581.db2.gz JWVOUZIDULVHTK-JKSUJKDBSA-N 2 0 345.472 1.713 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000922835681 704401420 /nfs/dbraw/zinc/40/14/20/704401420.db2.gz ZAESRKQFIUZESH-QGZVFWFLSA-N 2 0 343.431 1.387 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCC2C[NH+](C[C@H](C)OC)C2)o1 ZINC001032219168 704624354 /nfs/dbraw/zinc/62/43/54/704624354.db2.gz OPQHAOUETWUZRH-AWEZNQCLSA-N 2 0 337.464 1.818 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)CC[N@@H+]1C ZINC000997791894 704700342 /nfs/dbraw/zinc/70/03/42/704700342.db2.gz AXWDSVLNCICRBK-JKSUJKDBSA-N 2 0 335.452 1.128 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C)o3)CC2)CC[N@@H+]1C ZINC000997793562 704706408 /nfs/dbraw/zinc/70/64/08/704706408.db2.gz QVILTANYHHNVOL-JKSUJKDBSA-N 2 0 349.479 1.437 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2ccc(OC)nc2)CC1)[NH+](C)C ZINC000997854608 704766584 /nfs/dbraw/zinc/76/65/84/704766584.db2.gz GZKHBFOVYHGDNM-QGZVFWFLSA-N 2 0 348.491 1.759 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000997862907 704770452 /nfs/dbraw/zinc/77/04/52/704770452.db2.gz ZQAPOFKGBXPHQA-MRXNPFEDSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997861433 704771721 /nfs/dbraw/zinc/77/17/21/704771721.db2.gz RZMLQVJJCUHSGW-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997916965 704976304 /nfs/dbraw/zinc/97/63/04/704976304.db2.gz XNOOSTMUKINOHX-INIZCTEOSA-N 2 0 342.443 1.813 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CCC[N@H+](CC)CC1 ZINC000998008047 705167033 /nfs/dbraw/zinc/16/70/33/705167033.db2.gz QVOOBQLAORNLMH-INIZCTEOSA-N 2 0 335.496 1.781 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)CC1 ZINC000998028186 705215496 /nfs/dbraw/zinc/21/54/96/705215496.db2.gz QPDYFGJPEBTCHS-UHFFFAOYSA-N 2 0 330.476 1.752 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)CC1 ZINC000998030937 705220932 /nfs/dbraw/zinc/22/09/32/705220932.db2.gz HMHGRBKSPXWTDO-UHFFFAOYSA-N 2 0 331.464 1.147 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CCC[N@@H+](C(C)C)CC1 ZINC000998066938 705279342 /nfs/dbraw/zinc/27/93/42/705279342.db2.gz RENGQJBGPWUIDC-SFANZJOMSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082561 705309820 /nfs/dbraw/zinc/30/98/20/705309820.db2.gz QSERIENWVRWZJV-QAPCUYQASA-N 2 0 330.476 1.608 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000998082553 705310337 /nfs/dbraw/zinc/31/03/37/705310337.db2.gz QSERIENWVRWZJV-CRAIPNDOSA-N 2 0 330.476 1.608 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998083016 705310818 /nfs/dbraw/zinc/31/08/18/705310818.db2.gz STICFFFLDOOQMV-INIZCTEOSA-N 2 0 347.507 1.573 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998083030 705310869 /nfs/dbraw/zinc/31/08/69/705310869.db2.gz SXXVUWPWGLXALE-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cscn3)CC2)C1 ZINC000998083004 705311070 /nfs/dbraw/zinc/31/10/70/705311070.db2.gz SNMIQRBRTYFBHY-AWEZNQCLSA-N 2 0 336.505 1.813 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)Cc3cnc[nH]3)CC2)cn1 ZINC000998116962 705372236 /nfs/dbraw/zinc/37/22/36/705372236.db2.gz XAKISAANLJBDBA-UHFFFAOYSA-N 2 0 343.431 1.384 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1CCC(C[NH2+]Cc2ncc(C)cn2)CC1 ZINC000998246373 705593798 /nfs/dbraw/zinc/59/37/98/705593798.db2.gz YWPLEZWAVGYXQX-UHFFFAOYSA-N 2 0 342.447 1.387 20 0 EDADRP CC(C)n1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998265931 705637567 /nfs/dbraw/zinc/63/75/67/705637567.db2.gz NESLDGJJNDTIAH-QGZVFWFLSA-N 2 0 347.507 1.744 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998273334 705653179 /nfs/dbraw/zinc/65/31/79/705653179.db2.gz OJVPEUMRJSJPIV-INIZCTEOSA-N 2 0 334.439 1.501 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2nccn2C)CC1 ZINC000998287001 705680893 /nfs/dbraw/zinc/68/08/93/705680893.db2.gz NUYXWZJKECXTAB-HOTGVXAUSA-N 2 0 347.507 1.621 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998289360 705686720 /nfs/dbraw/zinc/68/67/20/705686720.db2.gz IGKBTBHAOFDFRW-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(N1CC[C@@H](C(F)(F)F)[C@H]([NH2+]CCF)C1)C12CC[NH+](CC1)C2 ZINC000998305743 705709612 /nfs/dbraw/zinc/70/96/12/705709612.db2.gz SHEPUFBINKNSDX-VXGBXAGGSA-N 2 0 337.361 1.421 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032627489 705731068 /nfs/dbraw/zinc/73/10/68/705731068.db2.gz YAIHOIMVGGQCER-NJAFHUGGSA-N 2 0 335.492 1.573 20 0 EDADRP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998547840 705980351 /nfs/dbraw/zinc/98/03/51/705980351.db2.gz BAFFFSWZSAPXNU-RUXDESIVSA-N 2 0 338.477 1.325 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998555207 705993702 /nfs/dbraw/zinc/99/37/02/705993702.db2.gz DDKLQQRMDXAFMP-YMAMQOFZSA-N 2 0 336.867 1.908 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998724629 706156125 /nfs/dbraw/zinc/15/61/25/706156125.db2.gz UZWBGVOLXFNBAM-WMLDXEAASA-N 2 0 334.464 1.720 20 0 EDADRP Cc1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000998815755 706257717 /nfs/dbraw/zinc/25/77/17/706257717.db2.gz APHNDTBNBTVGFT-ROUUACIJSA-N 2 0 331.460 1.406 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC(NCc2cnon2)C1 ZINC000998902817 706339569 /nfs/dbraw/zinc/33/95/69/706339569.db2.gz YPCSEAZNXRCPNN-SIWZUTFBSA-N 2 0 335.452 1.412 20 0 EDADRP Cc1nnc(CNC2CC(N(C)C(=O)[C@@H]3CCCc4nccn43)C2)o1 ZINC000998902936 706339801 /nfs/dbraw/zinc/33/98/01/706339801.db2.gz ZVOQHCZPAPHOCQ-RUXDESIVSA-N 2 0 344.419 1.231 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](C[C@@H]3CCOC3)C[C@H]2CC1 ZINC000946517913 706554866 /nfs/dbraw/zinc/55/48/66/706554866.db2.gz MBFOERVUPPTXPH-WNRNVDISSA-N 2 0 335.492 1.288 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)o1 ZINC000999144237 706557687 /nfs/dbraw/zinc/55/76/87/706557687.db2.gz KJUKGUOPRJVMFD-WBVHZDCISA-N 2 0 334.464 1.936 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145979 706559432 /nfs/dbraw/zinc/55/94/32/706559432.db2.gz TZUJKICQVBSDLC-CVEARBPZSA-N 2 0 334.464 1.936 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999321050 706821471 /nfs/dbraw/zinc/82/14/71/706821471.db2.gz YPDBPDGYRLKOFY-UHFFFAOYSA-N 2 0 345.447 1.468 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999340698 706852241 /nfs/dbraw/zinc/85/22/41/706852241.db2.gz FDVYEYCKYZKFOV-UHFFFAOYSA-N 2 0 334.464 1.712 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999377564 706871725 /nfs/dbraw/zinc/87/17/25/706871725.db2.gz NMASBRZMZBBBCX-ZDUSSCGKSA-N 2 0 337.493 1.411 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000999365178 706878395 /nfs/dbraw/zinc/87/83/95/706878395.db2.gz PTQILLOHEHSYTB-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@H](C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1)[NH+]1CCCCCC1 ZINC000999507379 707004817 /nfs/dbraw/zinc/00/48/17/707004817.db2.gz YSPWKEIGYTWHDT-WWDZGPRUSA-N 2 0 347.507 1.727 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999571836 707077703 /nfs/dbraw/zinc/07/77/03/707077703.db2.gz AIAUHNPUJIPKDB-ZWKOTPCHSA-N 2 0 347.507 1.584 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]Cc2ccns2)C1)C12CCC[NH+]1CCC2 ZINC000999596350 707099453 /nfs/dbraw/zinc/09/94/53/707099453.db2.gz LMMHSCICONZJRR-CQSZACIVSA-N 2 0 334.489 1.852 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H]([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999702871 707234474 /nfs/dbraw/zinc/23/44/74/707234474.db2.gz CCAMWGUOGBMMCZ-RDJZCZTQSA-N 2 0 342.443 1.955 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999687025 707239792 /nfs/dbraw/zinc/23/97/92/707239792.db2.gz DJAJDIBCQKQTFL-QQFBHYJXSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999687772 707241590 /nfs/dbraw/zinc/24/15/90/707241590.db2.gz JQKWXMPQGOXWGE-NFOMZHRRSA-N 2 0 336.505 1.872 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999690076 707246167 /nfs/dbraw/zinc/24/61/67/707246167.db2.gz VEQNAJWSVJFKBH-QQFBHYJXSA-N 2 0 348.495 1.027 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@H+]([C@@H](C)COC)C[C@H]2CC1)[NH+](C)C ZINC000946784401 707309014 /nfs/dbraw/zinc/30/90/14/707309014.db2.gz JGNOEWPRRZORSF-NXOAAHMSSA-N 2 0 325.497 1.532 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)[nH]1 ZINC000999833664 707465619 /nfs/dbraw/zinc/46/56/19/707465619.db2.gz OUOUPBVJEJDOBF-IYXRBSQSSA-N 2 0 334.468 1.103 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000999834052 707466737 /nfs/dbraw/zinc/46/67/37/707466737.db2.gz PNKHPRUFRFCGES-UHFFFAOYSA-N 2 0 343.431 1.398 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000999835461 707469303 /nfs/dbraw/zinc/46/93/03/707469303.db2.gz GHEZCSNDYWMQBJ-UNXYVOJBSA-N 2 0 342.896 1.827 20 0 EDADRP CN(C(=O)c1ccccc1C[NH+](C)C)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999871618 707514606 /nfs/dbraw/zinc/51/46/06/707514606.db2.gz WLIBYCWCXFKHFZ-ZLPCBKJTSA-N 2 0 345.487 1.977 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]CC[C@H]2CCOC2)C1)[NH+]1CCCC1 ZINC000999876333 707523241 /nfs/dbraw/zinc/52/32/41/707523241.db2.gz LIWNLJFKUJLVNX-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819189 707584882 /nfs/dbraw/zinc/58/48/82/707584882.db2.gz WAVDFOCZRNLYGS-ZSYWTGECSA-N 2 0 349.519 1.820 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H]4CCC[NH+]43)CC[C@@H]2C1 ZINC000946819188 707585167 /nfs/dbraw/zinc/58/51/67/707585167.db2.gz WAVDFOCZRNLYGS-RDGPPVDQSA-N 2 0 349.519 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccnn3C)C2)C1 ZINC000999975507 707589733 /nfs/dbraw/zinc/58/97/33/707589733.db2.gz UCFYTIKSQQRVJO-IRXDYDNUSA-N 2 0 347.507 1.623 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC)C2)nn1 ZINC000999987865 707660777 /nfs/dbraw/zinc/66/07/77/707660777.db2.gz QQZYKFOVHVWHAO-HZPDHXFCSA-N 2 0 334.468 1.035 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004926152 707667684 /nfs/dbraw/zinc/66/76/84/707667684.db2.gz KNAPTYRNFXKMIV-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993604 707670915 /nfs/dbraw/zinc/67/09/15/707670915.db2.gz WWIIEQNZAFCGFC-IAGOWNOFSA-N 2 0 348.495 1.422 20 0 EDADRP Cc1cc(CN2C[C@@H]3C[C@H]2CN3C(=O)C[C@H]2CC[N@@H+](C)C2)sn1 ZINC001032731855 707735022 /nfs/dbraw/zinc/73/50/22/707735022.db2.gz RJJTUGJYCUYCNJ-ILXRZTDVSA-N 2 0 334.489 1.578 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC001044728434 707740022 /nfs/dbraw/zinc/74/00/22/707740022.db2.gz OTGANOUTSWWPAE-CJNGLKHVSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1)C12CC[NH+](CC1)C2 ZINC001032733947 707742706 /nfs/dbraw/zinc/74/27/06/707742706.db2.gz NWYZFAMFUDSAEP-ROUUACIJSA-N 2 0 347.503 1.574 20 0 EDADRP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389596 707760041 /nfs/dbraw/zinc/76/00/41/707760041.db2.gz DDAKHZZGYAHUIW-SFHVURJKSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033391428 707767073 /nfs/dbraw/zinc/76/70/73/707767073.db2.gz RRSXTDXSLDWMQJ-GOSISDBHSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033416053 707793109 /nfs/dbraw/zinc/79/31/09/707793109.db2.gz MSBRJHONTPFKBZ-ZBFHGGJFSA-N 2 0 349.479 1.328 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CCC3CCOCC3)C2)C1 ZINC001033419547 707827702 /nfs/dbraw/zinc/82/77/02/707827702.db2.gz JYOUEWPWTCBXIF-FUHWJXTLSA-N 2 0 337.508 1.678 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033423451 707839524 /nfs/dbraw/zinc/83/95/24/707839524.db2.gz NBLFQVYGSYDPBO-SJLPKXTDSA-N 2 0 347.507 1.463 20 0 EDADRP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004988193 707845072 /nfs/dbraw/zinc/84/50/72/707845072.db2.gz APHFZYYVNINISB-YOEHRIQHSA-N 2 0 334.464 1.938 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033427287 707851214 /nfs/dbraw/zinc/85/12/14/707851214.db2.gz ZVOYUOLKYGMYSB-QGZVFWFLSA-N 2 0 347.507 1.227 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004992289 707873261 /nfs/dbraw/zinc/87/32/61/707873261.db2.gz NTFQXCJZGHXDIP-WBVHZDCISA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)[NH+]1CCC(C2(NC(=O)[C@@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000213930 707876083 /nfs/dbraw/zinc/87/60/83/707876083.db2.gz KXUDXEVFBYLFSV-RMXPPQQLSA-N 2 0 347.503 1.619 20 0 EDADRP Cc1ccccc1OCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032780821 707965302 /nfs/dbraw/zinc/96/53/02/707965302.db2.gz DSQBFAXNLQMYKJ-BZSNNMDCSA-N 2 0 343.471 1.611 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1 ZINC001032802231 708085492 /nfs/dbraw/zinc/08/54/92/708085492.db2.gz RICGRTRZXTZIJV-SQNIBIBYSA-N 2 0 335.492 1.574 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032802710 708089230 /nfs/dbraw/zinc/08/92/30/708089230.db2.gz KUGLEDRIAMNDTM-BQFCYCMXSA-N 2 0 335.492 1.715 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033594550 708296836 /nfs/dbraw/zinc/29/68/36/708296836.db2.gz NNRBGICGCGKNGS-LSDHHAIUSA-N 2 0 336.505 1.560 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H](O)C2CCCCC2)C1 ZINC001033658765 708469918 /nfs/dbraw/zinc/46/99/18/708469918.db2.gz UHAGGDCTFDCEFW-MSOLQXFVSA-N 2 0 337.508 1.556 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CCCO)C2)o1 ZINC001033696954 708510670 /nfs/dbraw/zinc/51/06/70/708510670.db2.gz ADXJUXWGZRNUPM-OAHLLOKOSA-N 2 0 337.464 1.650 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001002121180 708634951 /nfs/dbraw/zinc/63/49/51/708634951.db2.gz PGPAXEXJYJOMSG-INIZCTEOSA-N 2 0 334.464 1.571 20 0 EDADRP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)n1 ZINC001002121598 708635422 /nfs/dbraw/zinc/63/54/22/708635422.db2.gz RXVHUESMKVHMCN-IBGZPJMESA-N 2 0 344.503 1.978 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001002124614 708639649 /nfs/dbraw/zinc/63/96/49/708639649.db2.gz GZDPOPMPJBXEPF-HNNXBMFYSA-N 2 0 336.505 1.466 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C1=CC[NH+](C)CC1 ZINC000921880188 708770388 /nfs/dbraw/zinc/77/03/88/708770388.db2.gz IGIAHRNNRVECHC-IMJJTQAJSA-N 2 0 338.521 1.516 20 0 EDADRP Cc1nocc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001005407188 708937120 /nfs/dbraw/zinc/93/71/20/708937120.db2.gz MYEBEZFBWFEGSL-RHSMWYFYSA-N 2 0 334.464 1.746 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423897 708941723 /nfs/dbraw/zinc/94/17/23/708941723.db2.gz GOZTUYFMTICTPY-ROUUACIJSA-N 2 0 335.492 1.573 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@H]1CC[N@@H+]([C@@H](C)COC)C1 ZINC001033897563 709017149 /nfs/dbraw/zinc/01/71/49/709017149.db2.gz LLACGXVDVAHZPU-YOEHRIQHSA-N 2 0 330.432 1.906 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033940931 709147195 /nfs/dbraw/zinc/14/71/95/709147195.db2.gz LRSPEKTWXKLMJY-SJLPKXTDSA-N 2 0 337.508 1.678 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033941664 709148580 /nfs/dbraw/zinc/14/85/80/709148580.db2.gz RQMSWXLHGDWFKE-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001034037793 709270070 /nfs/dbraw/zinc/27/00/70/709270070.db2.gz FMEHWUFAZODQNN-LSDHHAIUSA-N 2 0 336.505 1.826 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702122600 709335910 /nfs/dbraw/zinc/33/59/10/709335910.db2.gz NGCYQAUGKRWPTG-JENIJYKNSA-N 2 0 331.460 1.331 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH+](C)C)CC1 ZINC000921991931 709380509 /nfs/dbraw/zinc/38/05/09/709380509.db2.gz TTYSQSDZJUGHLZ-DOTOQJQBSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001002822976 709432872 /nfs/dbraw/zinc/43/28/72/709432872.db2.gz JOCRFCFUFUBZQV-CVEARBPZSA-N 2 0 337.508 1.602 20 0 EDADRP CC(C)(C)[NH2+]CCC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000702603898 709700757 /nfs/dbraw/zinc/70/07/57/709700757.db2.gz OUTKXJAUQDPIJG-IBGZPJMESA-N 2 0 333.476 1.518 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034368809 709853546 /nfs/dbraw/zinc/85/35/46/709853546.db2.gz QBXJBBTZBBTDBR-IRXDYDNUSA-N 2 0 325.497 1.462 20 0 EDADRP CO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)C12CCC2 ZINC000453070411 709862948 /nfs/dbraw/zinc/86/29/48/709862948.db2.gz VKMRSZBVAWCSRX-IAGOWNOFSA-N 2 0 330.476 1.881 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CCCC[N@H+](CCO)C2)cc1 ZINC001034406207 709922080 /nfs/dbraw/zinc/92/20/80/709922080.db2.gz YEWYSISVUXHQMB-SFHVURJKSA-N 2 0 333.476 1.367 20 0 EDADRP CC(C)=CC[N@H+]1CCCC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034434879 710007087 /nfs/dbraw/zinc/00/70/87/710007087.db2.gz DQUPXNHDKKYIJI-SFHVURJKSA-N 2 0 347.507 1.995 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463760 710033282 /nfs/dbraw/zinc/03/32/82/710033282.db2.gz VNGBQNSMYVOKQT-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034482122 710106586 /nfs/dbraw/zinc/10/65/86/710106586.db2.gz ZTNPYSMTDZMBKF-ROUUACIJSA-N 2 0 339.524 1.994 20 0 EDADRP O=C(NC1CC[NH+](CC2CCOCC2)CC1)C12CCC[NH+]1CCC2 ZINC001003245291 710168812 /nfs/dbraw/zinc/16/88/12/710168812.db2.gz XOIMJANOJGPSFG-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP CC1(C)CO[C@@H](C[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)C1 ZINC001034529299 710183772 /nfs/dbraw/zinc/18/37/72/710183772.db2.gz YGKCYDILBGPXTK-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC001034606803 710269988 /nfs/dbraw/zinc/26/99/88/710269988.db2.gz DWBBJVXIPTVBKQ-ZOBUZTSGSA-N 2 0 333.480 1.514 20 0 EDADRP CCc1ccc([C@H](O)C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838305 710279215 /nfs/dbraw/zinc/27/92/15/710279215.db2.gz HWWVCGFHPLKAAN-GUDVDZBRSA-N 2 0 345.487 1.567 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC001003547888 710413969 /nfs/dbraw/zinc/41/39/69/710413969.db2.gz ORNPGCLOAPVGNJ-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001003636642 710456844 /nfs/dbraw/zinc/45/68/44/710456844.db2.gz XAWPTPIBAQYCLO-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003630698 710459926 /nfs/dbraw/zinc/45/99/26/710459926.db2.gz NAUYASAKCIXKBL-WBMJQRKESA-N 2 0 334.464 1.570 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636939 710466938 /nfs/dbraw/zinc/46/69/38/710466938.db2.gz YTAOSWOUFSZWFH-CJNGLKHVSA-N 2 0 334.464 1.515 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)C1 ZINC001034662830 710596027 /nfs/dbraw/zinc/59/60/27/710596027.db2.gz PFRYMJQEADYQFE-QBPKDAKJSA-N 2 0 325.497 1.362 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001034672635 710605978 /nfs/dbraw/zinc/60/59/78/710605978.db2.gz PYLLWJIHUTXYOJ-BQFCYCMXSA-N 2 0 347.507 1.464 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC[C@H]2CCOC2)CC1 ZINC001034675253 710627186 /nfs/dbraw/zinc/62/71/86/710627186.db2.gz YJFBBMGRYMJNJW-XLAORIBOSA-N 2 0 337.508 1.914 20 0 EDADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)CC1)C(N)=O ZINC001034689762 710755620 /nfs/dbraw/zinc/75/56/20/710755620.db2.gz BCTKJKJZCSFNQC-DZKIICNBSA-N 2 0 343.431 1.229 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001034734960 710917710 /nfs/dbraw/zinc/91/77/10/710917710.db2.gz CQEDFKFDWWFSBY-WKILWMFISA-N 2 0 347.507 1.669 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001034739154 710932829 /nfs/dbraw/zinc/93/28/29/710932829.db2.gz YJTLSPLLAFFKMN-TUUVXOQKSA-N 2 0 334.464 1.698 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001034739151 710933112 /nfs/dbraw/zinc/93/31/12/710933112.db2.gz YJTLSPLLAFFKMN-QCEMKRCNSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccs2)CC1 ZINC001034738588 710953955 /nfs/dbraw/zinc/95/39/55/710953955.db2.gz ULEGIPCXSWYNRA-AJNGGQMLSA-N 2 0 336.505 1.858 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001034754257 710975796 /nfs/dbraw/zinc/97/57/96/710975796.db2.gz XTPZRGGYMUVHHL-SRABZTEZSA-N 2 0 347.463 1.604 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)CC1 ZINC001034762747 711000610 /nfs/dbraw/zinc/00/06/10/711000610.db2.gz IOEBIDNBBOWAKJ-KZNAEPCWSA-N 2 0 337.508 1.772 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034778297 711079407 /nfs/dbraw/zinc/07/94/07/711079407.db2.gz GQJBAGPIZGSVLT-JYJNAYRXSA-N 2 0 333.480 1.279 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001034784771 711099627 /nfs/dbraw/zinc/09/96/27/711099627.db2.gz KHMQXEDWNMHHRW-LNLFQRSKSA-N 2 0 346.475 1.986 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1 ZINC001034794275 711110026 /nfs/dbraw/zinc/11/00/26/711110026.db2.gz FQCAXJMXDAVTCV-WKILWMFISA-N 2 0 334.439 1.834 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034795604 711114425 /nfs/dbraw/zinc/11/44/25/711114425.db2.gz LOVKRDMDEDAEIM-ULQDDVLXSA-N 2 0 348.495 1.170 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003967714 711138341 /nfs/dbraw/zinc/13/83/41/711138341.db2.gz NMUSHCOMPSJXHK-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP CCc1nc(C)cc(N2CCC[C@H]2CNC(=O)C23CC[NH+](CC2)C3)n1 ZINC001061380484 711330866 /nfs/dbraw/zinc/33/08/66/711330866.db2.gz XJYNYRFBJIFFKK-HNNXBMFYSA-N 2 0 343.475 1.528 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388051 711429687 /nfs/dbraw/zinc/42/96/87/711429687.db2.gz NTHQVAGPIRKPQF-SKWUIDRYSA-N 2 0 334.460 1.970 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001034936778 711437132 /nfs/dbraw/zinc/43/71/32/711437132.db2.gz WAEBULBLPMUNNR-MSOLQXFVSA-N 2 0 347.507 1.682 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)c[nH]1 ZINC000922386237 711447262 /nfs/dbraw/zinc/44/72/62/711447262.db2.gz FHLMMSLDCOEOFP-XLMAVXFVSA-N 2 0 335.448 1.371 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(=O)N(C)C)[nH]1)C2 ZINC000922386550 711448041 /nfs/dbraw/zinc/44/80/41/711448041.db2.gz FWYGHHOMUINHHU-VXNCWWDNSA-N 2 0 348.491 1.286 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCCC[N@@H+]2C)cn1 ZINC001034972298 711452331 /nfs/dbraw/zinc/45/23/31/711452331.db2.gz DWQGHPAJJCKPQM-SJORKVTESA-N 2 0 346.475 1.655 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnn4c3CCC4)C2)[C@H]1C(C)C ZINC000922395535 711469067 /nfs/dbraw/zinc/46/90/67/711469067.db2.gz SSBRURNINFRVIU-NXWXRZEISA-N 2 0 332.492 1.789 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1 ZINC001004146870 711557559 /nfs/dbraw/zinc/55/75/59/711557559.db2.gz BJMJMKKNTSFNQT-FUHWJXTLSA-N 2 0 331.460 1.252 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001004147145 711558397 /nfs/dbraw/zinc/55/83/97/711558397.db2.gz DHMZYVQQNMCBNT-UHFFFAOYSA-N 2 0 331.460 1.742 20 0 EDADRP CCN1CCO[C@H](C(=O)NC2CC[NH+](CCCC3CCC3)CC2)C1 ZINC001004177843 711632007 /nfs/dbraw/zinc/63/20/07/711632007.db2.gz CVLQADOJXSUPRX-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004603826 712053199 /nfs/dbraw/zinc/05/31/99/712053199.db2.gz JCCVDWJTTAANSC-QGZVFWFLSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC[C@@H]2C1 ZINC000946662574 712290900 /nfs/dbraw/zinc/29/09/00/712290900.db2.gz BMWUDKXGIIPAPL-OIISXLGYSA-N 2 0 342.443 1.499 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)C[C@@H]3C)nc(C)n2)[C@H](C)C1 ZINC000557696098 306233445 /nfs/dbraw/zinc/23/34/45/306233445.db2.gz OKTDLIBVZKHAHH-IYBDPMFKSA-N 2 0 346.523 1.846 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NCC2([NH+](C)C)CCCC2)ccn1 ZINC000272672440 282110188 /nfs/dbraw/zinc/11/01/88/282110188.db2.gz KWBFQRKUVHXFDX-UHFFFAOYSA-N 2 0 334.464 1.626 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[NH2+]Cc1cccc(C[NH+](CC)CC)c1 ZINC000056184936 214364514 /nfs/dbraw/zinc/36/45/14/214364514.db2.gz OKRGVECEBGKMOE-AWEZNQCLSA-N 2 0 334.464 1.852 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000342393153 282183288 /nfs/dbraw/zinc/18/32/88/282183288.db2.gz ADIMRXSGMZOVJA-HZPDHXFCSA-N 2 0 325.522 1.757 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000340116733 282274503 /nfs/dbraw/zinc/27/45/03/282274503.db2.gz OAVNQQFHFZWTJM-BBWFWOEESA-N 2 0 325.497 1.757 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000166852724 530050468 /nfs/dbraw/zinc/05/04/68/530050468.db2.gz BKKOLRUDLYRDFQ-MRXNPFEDSA-N 2 0 346.475 1.900 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[NH2+]CC3)CC2)c1 ZINC000178361533 232144739 /nfs/dbraw/zinc/14/47/39/232144739.db2.gz JIRVMSKYMZIWLP-UHFFFAOYSA-N 2 0 330.476 1.329 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)c1ccccn1 ZINC000560546672 306274114 /nfs/dbraw/zinc/27/41/14/306274114.db2.gz MXHGKXJEKLMRMY-UHFFFAOYSA-N 2 0 335.496 1.494 20 0 EDADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]CC1=Cc2ccccc2OC1 ZINC000102426561 219203153 /nfs/dbraw/zinc/20/31/53/219203153.db2.gz XWZKDOTUSIMTJI-GOSISDBHSA-N 2 0 343.471 1.995 20 0 EDADRP C[C@H]1CN(Cc2cccc(CNC(=O)N3CC[NH2+]CC3)c2)CCO1 ZINC000561176997 306283902 /nfs/dbraw/zinc/28/39/02/306283902.db2.gz IFBRBFRSUWXHJL-HNNXBMFYSA-N 2 0 332.448 1.022 20 0 EDADRP C[C@H](NC(=O)NCCOCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000355354177 299156060 /nfs/dbraw/zinc/15/60/60/299156060.db2.gz RNELAPJSQOHSJG-DOTOQJQBSA-N 2 0 336.480 1.555 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC[NH2+]C(C)(C)C)CC2)CC1 ZINC000561257737 306285821 /nfs/dbraw/zinc/28/58/21/306285821.db2.gz XGPOJYAOKMLBIT-UHFFFAOYSA-N 2 0 338.540 1.687 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000339266014 539703986 /nfs/dbraw/zinc/70/39/86/539703986.db2.gz RJBANQZYLVBDHL-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000479547374 539984389 /nfs/dbraw/zinc/98/43/89/539984389.db2.gz NXLWSSLLSAUIPC-OAHLLOKOSA-N 2 0 348.491 1.824 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000342765987 291049071 /nfs/dbraw/zinc/04/90/71/291049071.db2.gz RJDAGEDPYCWDGV-OAGGEKHMSA-N 2 0 339.480 1.380 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccccc3)o2)CC1 ZINC000563347803 306328758 /nfs/dbraw/zinc/32/87/58/306328758.db2.gz XMBCNXDTVZOKCG-KRWDZBQOSA-N 2 0 329.444 1.645 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000041712073 138104311 /nfs/dbraw/zinc/10/43/11/138104311.db2.gz OIQGGMZCVWWYDN-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)N1CCNC1=O ZINC000070870121 138204186 /nfs/dbraw/zinc/20/41/86/138204186.db2.gz BOHWVQAEDYERNJ-OAHLLOKOSA-N 2 0 344.459 1.702 20 0 EDADRP COCC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000077408998 138252733 /nfs/dbraw/zinc/25/27/33/138252733.db2.gz UWVKBRQCIIGYQE-INIZCTEOSA-N 2 0 333.476 1.734 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](O)CC12CCC2)c1ccccc1 ZINC000563855769 306350040 /nfs/dbraw/zinc/35/00/40/306350040.db2.gz AOEVVMZSCLNXPC-ROUUACIJSA-N 2 0 345.487 1.785 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CC[NH3+])CCO)CC[N@@H+]1Cc1ccccc1 ZINC000417828687 291135110 /nfs/dbraw/zinc/13/51/10/291135110.db2.gz FUURKCBQMCZMJC-DOTOQJQBSA-N 2 0 334.464 1.002 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[C@@H](C)C1 ZINC000487813726 291157184 /nfs/dbraw/zinc/15/71/84/291157184.db2.gz AVMZUBBZIKNZHF-QXDIGNSFSA-N 2 0 334.508 1.985 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000564938605 306370534 /nfs/dbraw/zinc/37/05/34/306370534.db2.gz XMMJHSXJYDPFJV-SDADXPQNSA-N 2 0 326.485 1.179 20 0 EDADRP C[C@@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000450712384 305331288 /nfs/dbraw/zinc/33/12/88/305331288.db2.gz STMYWVXOKWBPJI-HNNXBMFYSA-N 2 0 332.510 1.244 20 0 EDADRP COc1ccc([C@H](CNC(=O)N(C)CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000565587656 306387351 /nfs/dbraw/zinc/38/73/51/306387351.db2.gz GQRJGNGDGSHEHE-KRWDZBQOSA-N 2 0 334.464 1.822 20 0 EDADRP COCC[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414325042 304106356 /nfs/dbraw/zinc/10/63/56/304106356.db2.gz LKTAJWQGMPKBHD-HNNXBMFYSA-N 2 0 333.476 1.899 20 0 EDADRP C[N@@H+]1CCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C2(CCCCC2)C1 ZINC000566012697 306396389 /nfs/dbraw/zinc/39/63/89/306396389.db2.gz OSQYUMRXEQGZED-OALUTQOASA-N 2 0 331.504 1.868 20 0 EDADRP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)N1CC[NH+](C)CC1 ZINC000566066255 306397645 /nfs/dbraw/zinc/39/76/45/306397645.db2.gz JAOUOCPYOLHITM-SJLPKXTDSA-N 2 0 338.540 1.816 20 0 EDADRP COC1(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCCCC1 ZINC000414478006 304117909 /nfs/dbraw/zinc/11/79/09/304117909.db2.gz CUXFJAIFXUDFPT-UHFFFAOYSA-N 2 0 339.524 1.722 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414703060 304129781 /nfs/dbraw/zinc/12/97/81/304129781.db2.gz LMKZZBSMBUVHLH-CYBMUJFWSA-N 2 0 330.432 1.076 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCC[C@H](C)C1 ZINC000414708401 304130863 /nfs/dbraw/zinc/13/08/63/304130863.db2.gz QHGVXHDRJYKFIL-KBPBESRZSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000414735308 304134946 /nfs/dbraw/zinc/13/49/46/304134946.db2.gz GTQVNYDREHHXLF-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000414736933 304135058 /nfs/dbraw/zinc/13/50/58/304135058.db2.gz HYWFFCFQVXLWEJ-LSDHHAIUSA-N 2 0 346.475 1.883 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414746878 304136426 /nfs/dbraw/zinc/13/64/26/304136426.db2.gz MFYLQLXEIQHLEG-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773537 304139176 /nfs/dbraw/zinc/13/91/76/304139176.db2.gz DNGHVYKPPNFLJG-LSDHHAIUSA-N 2 0 327.428 1.604 20 0 EDADRP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414779362 304139826 /nfs/dbraw/zinc/13/98/26/304139826.db2.gz JLABDWWPHKOQFG-KRWDZBQOSA-N 2 0 335.492 1.910 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000377806136 296118636 /nfs/dbraw/zinc/11/86/36/296118636.db2.gz BLVYEPWBUKJJCT-QGZVFWFLSA-N 2 0 348.539 1.942 20 0 EDADRP COCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414783220 304140196 /nfs/dbraw/zinc/14/01/96/304140196.db2.gz PQJIILDDGGPFEY-QGZVFWFLSA-N 2 0 334.460 1.899 20 0 EDADRP CN1CCN(c2ncc(CN3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cn2)CC1 ZINC000415056171 304155152 /nfs/dbraw/zinc/15/51/52/304155152.db2.gz RROPSJVOMYQZAN-ZWKOTPCHSA-N 3 0 344.507 1.192 20 0 EDADRP c1ccc(OCCN2CCOCC2)c(CNC[C@@H]2CCC[NH2+]C2)c1 ZINC000415075403 304157637 /nfs/dbraw/zinc/15/76/37/304157637.db2.gz FCLHZDPAHJOMSO-QGZVFWFLSA-N 3 0 333.476 1.487 20 0 EDADRP CCOC1CC(C[NH2+][C@@H](C)C[C@H]2CCC[NH2+]2)(N2CCOCC2)C1 ZINC000415105154 304160530 /nfs/dbraw/zinc/16/05/30/304160530.db2.gz MEFMQMCKZLYIKF-KNXWPPODSA-N 2 0 325.497 1.377 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCC2)cc1 ZINC000415118007 304161352 /nfs/dbraw/zinc/16/13/52/304161352.db2.gz XRCZMBDAYYUCLB-KRWDZBQOSA-N 2 0 344.459 1.431 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)cc1 ZINC000415139047 304163539 /nfs/dbraw/zinc/16/35/39/304163539.db2.gz HSKAIYYJPPGRHE-XJKSGUPXSA-N 2 0 330.432 1.040 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415142054 304163969 /nfs/dbraw/zinc/16/39/69/304163969.db2.gz QQGJQCVWFBEMKQ-QZTJIDSGSA-N 2 0 328.460 1.715 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[NH+](C)CC1 ZINC000078647901 217094277 /nfs/dbraw/zinc/09/42/77/217094277.db2.gz NMTSFYHUMOWQAL-PKOBYXMFSA-N 2 0 344.503 1.403 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)[NH+]1CCOCC1 ZINC000236689707 139028758 /nfs/dbraw/zinc/02/87/58/139028758.db2.gz NBXSTJGWRYOJLS-HOTGVXAUSA-N 2 0 343.537 1.335 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000236955434 139036426 /nfs/dbraw/zinc/03/64/26/139036426.db2.gz ADFOEZVYSOMOCE-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)C[NH2+]C ZINC000237051525 139039212 /nfs/dbraw/zinc/03/92/12/139039212.db2.gz NIRHWQXSCPLTQY-AWEZNQCLSA-N 2 0 334.464 1.631 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237193101 139043532 /nfs/dbraw/zinc/04/35/32/139043532.db2.gz DLZJZDGHWMQDHZ-AWEZNQCLSA-N 2 0 325.478 1.312 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000567382537 306449851 /nfs/dbraw/zinc/44/98/51/306449851.db2.gz JMWDYBLJPOGUQV-IRXDYDNUSA-N 2 0 331.464 1.508 20 0 EDADRP CN(C(=O)[C@H]1CC[C@H]([NH3+])C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000237287310 139046536 /nfs/dbraw/zinc/04/65/36/139046536.db2.gz QRHYCGBPJIYWGY-HOTGVXAUSA-N 2 0 330.476 1.674 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H](C)O1 ZINC000237402420 139050168 /nfs/dbraw/zinc/05/01/68/139050168.db2.gz KOYKBAWSIZVNSP-VUCRHFMTSA-N 2 0 337.508 1.913 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415180554 304171891 /nfs/dbraw/zinc/17/18/91/304171891.db2.gz FORUXPYLDDXROP-OAHLLOKOSA-N 2 0 346.475 1.979 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415180550 304171950 /nfs/dbraw/zinc/17/19/50/304171950.db2.gz FNDRBTVYBIESFI-CQSZACIVSA-N 2 0 334.464 1.835 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)NC1CC[NH+](C)CC1 ZINC000079854877 217258600 /nfs/dbraw/zinc/25/86/00/217258600.db2.gz SPTPYFADXYXZJT-UHFFFAOYSA-N 2 0 336.455 1.993 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415202378 304173897 /nfs/dbraw/zinc/17/38/97/304173897.db2.gz NXBBHWULADASNI-UHFFFAOYSA-N 2 0 344.459 1.215 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000238039552 139067464 /nfs/dbraw/zinc/06/74/64/139067464.db2.gz BQOPIVGHVFIUAB-GJZGRUSLSA-N 2 0 325.522 1.982 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000238019056 139066632 /nfs/dbraw/zinc/06/66/32/139066632.db2.gz DWXCCMXOIQSYQQ-GOSISDBHSA-N 2 0 330.476 1.457 20 0 EDADRP O=C(NCCCOC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000238060960 139067937 /nfs/dbraw/zinc/06/79/37/139067937.db2.gz IPBFLEPFFGQHBS-SFHVURJKSA-N 2 0 345.487 1.783 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000238150759 139069713 /nfs/dbraw/zinc/06/97/13/139069713.db2.gz DWAJPPROPYCNEN-UHFFFAOYSA-N 2 0 345.443 1.924 20 0 EDADRP O=C1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1CCOc1ccccc1 ZINC000246519407 139111857 /nfs/dbraw/zinc/11/18/57/139111857.db2.gz UNRCLGMPXHQHHI-BZSNNMDCSA-N 2 0 343.471 1.883 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246786975 139121599 /nfs/dbraw/zinc/12/15/99/139121599.db2.gz ZTLOOQOFILTTEQ-ZIFCJYIRSA-N 2 0 342.524 1.984 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCC2)cc1)C(=O)N1CCC[NH2+]CC1 ZINC000415312618 304191969 /nfs/dbraw/zinc/19/19/69/304191969.db2.gz CZRDJMUPGWEIOR-UHFFFAOYSA-N 2 0 344.459 1.085 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000247429893 139148453 /nfs/dbraw/zinc/14/84/53/139148453.db2.gz OPJNPRZSVNOCHA-DOTOQJQBSA-N 2 0 345.491 1.246 20 0 EDADRP CC(C)CCOCCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247977464 139156546 /nfs/dbraw/zinc/15/65/46/139156546.db2.gz HYKUYCNCJKPQEX-IRXDYDNUSA-N 2 0 325.497 1.581 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000247972057 139156591 /nfs/dbraw/zinc/15/65/91/139156591.db2.gz JSSVUQGICXASBI-GGPKGHCWSA-N 2 0 348.487 1.989 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000112214044 220263997 /nfs/dbraw/zinc/26/39/97/220263997.db2.gz ZJSCLJNZKWALDP-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](NC(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550240 139208887 /nfs/dbraw/zinc/20/88/87/139208887.db2.gz LBNYZZZZCDBBKS-SZMVWBNQSA-N 2 0 331.460 1.392 20 0 EDADRP CCOc1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261612989 139211081 /nfs/dbraw/zinc/21/10/81/139211081.db2.gz DYKPQUCUJJIAJU-OAHLLOKOSA-N 2 0 335.448 1.251 20 0 EDADRP C[C@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)N1CC[C@](C)(C[NH3+])C1 ZINC000261653429 139214610 /nfs/dbraw/zinc/21/46/10/139214610.db2.gz FFYSDWVWTSSXAU-ZRGWGRIASA-N 2 0 347.459 1.344 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C2([NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261670803 139216095 /nfs/dbraw/zinc/21/60/95/139216095.db2.gz BUUQEXIKGFMCFQ-NVXWUHKLSA-N 2 0 331.460 1.664 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000261743222 139222405 /nfs/dbraw/zinc/22/24/05/139222405.db2.gz KQCKQOHNWGYIHV-MSOLQXFVSA-N 2 0 331.460 1.521 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(CC(=O)Nc3ccc(Br)cn3)C[C@@H]12 ZINC000261756361 139223563 /nfs/dbraw/zinc/22/35/63/139223563.db2.gz NHEXZQHTCNAFLU-YUSALJHKSA-N 2 0 339.237 1.452 20 0 EDADRP C[C@H]1C[NH2+]CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000261869332 139232830 /nfs/dbraw/zinc/23/28/30/139232830.db2.gz OLHPEBWSTBWRLY-INIZCTEOSA-N 2 0 330.476 1.192 20 0 EDADRP C(N[C@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875879 139233217 /nfs/dbraw/zinc/23/32/17/139233217.db2.gz DRLNEBSAPFEUED-BZSNNMDCSA-N 3 0 337.508 1.378 20 0 EDADRP C[C@@]([NH3+])(C(=O)N[C@H]1CCC[NH2+]C1)c1ccc(Br)cc1 ZINC000261926414 139237526 /nfs/dbraw/zinc/23/75/26/139237526.db2.gz ZKVFYDJKWZMGRY-JSGCOSHPSA-N 2 0 326.238 1.491 20 0 EDADRP Cc1ncsc1CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261965784 139240579 /nfs/dbraw/zinc/24/05/79/139240579.db2.gz YILNQKRRCDACQB-HUUCEWRRSA-N 2 0 336.505 1.574 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCC3C[NH2+]C3)cc2)CC1 ZINC000415535650 304226261 /nfs/dbraw/zinc/22/62/61/304226261.db2.gz MDNPZDXFYVNPGN-UHFFFAOYSA-N 2 0 344.459 1.193 20 0 EDADRP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262124861 139252970 /nfs/dbraw/zinc/25/29/70/139252970.db2.gz MVSNCMAZPIRLJN-LJQANCHMSA-N 2 0 339.487 1.969 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000262116743 139252192 /nfs/dbraw/zinc/25/21/92/139252192.db2.gz IUIPVHYVAPGIAV-INIZCTEOSA-N 2 0 333.480 1.924 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H](C)C[NH2+]C)c1 ZINC000415421410 250921318 /nfs/dbraw/zinc/92/13/18/250921318.db2.gz XSVVAZKQRAQDCE-AWEZNQCLSA-N 2 0 334.464 1.439 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000269247949 296314377 /nfs/dbraw/zinc/31/43/77/296314377.db2.gz VWWLYOHBCUDNTN-ZTFGCOKTSA-N 2 0 331.460 1.400 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)ccc1C[NH+](C)C ZINC000415555976 251010427 /nfs/dbraw/zinc/01/04/27/251010427.db2.gz IAIFSJQJSHRVTN-UONOGXRCSA-N 2 0 332.448 1.204 20 0 EDADRP O=C(CC[N@@H+]1CC[C@H](CSc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000262187648 139258426 /nfs/dbraw/zinc/25/84/26/139258426.db2.gz RJIJMKNDROPYRE-INIZCTEOSA-N 2 0 333.501 1.923 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000415994989 251044144 /nfs/dbraw/zinc/04/41/44/251044144.db2.gz MKVFTZUPBZEJKF-UONOGXRCSA-N 2 0 346.397 1.738 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415994988 251044550 /nfs/dbraw/zinc/04/45/50/251044550.db2.gz MKVFTZUPBZEJKF-KGLIPLIRSA-N 2 0 346.397 1.738 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416013154 251046350 /nfs/dbraw/zinc/04/63/50/251046350.db2.gz RJXCDOYMBUJJQN-UHFFFAOYSA-N 2 0 333.480 1.637 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)C(F)(F)F ZINC000416011805 251046623 /nfs/dbraw/zinc/04/66/23/251046623.db2.gz SAJNLMFQGAGVGC-STQMWFEESA-N 2 0 336.402 1.830 20 0 EDADRP COC[C@]1(CNC(=O)NCc2ccc(C[NH+](C)C)cc2)CCC[NH2+]1 ZINC000416877973 251116404 /nfs/dbraw/zinc/11/64/04/251116404.db2.gz DETLTOUYGMEOPZ-GOSISDBHSA-N 2 0 334.464 1.316 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417012946 251130874 /nfs/dbraw/zinc/13/08/74/251130874.db2.gz BESQZMXATGEAPF-MAUKXSAKSA-N 2 0 330.476 1.732 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000262317720 139269540 /nfs/dbraw/zinc/26/95/40/139269540.db2.gz ZXIAXBGFBAINMS-WMZOPIPTSA-N 2 0 346.475 1.039 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@@H](C)CCC[NH3+])cn2)CC1 ZINC000416991587 251121869 /nfs/dbraw/zinc/12/18/69/251121869.db2.gz OFFUEQJNFFCUCT-HNNXBMFYSA-N 2 0 348.495 1.150 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000416994347 251123762 /nfs/dbraw/zinc/12/37/62/251123762.db2.gz RPUOLUNEUYOIPP-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000417087957 251140682 /nfs/dbraw/zinc/14/06/82/251140682.db2.gz FWWWJRQAGNHGIN-DLBZAZTESA-N 2 0 334.464 1.010 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000417221451 251147996 /nfs/dbraw/zinc/14/79/96/251147996.db2.gz NMPWCFGUDVBRKS-WBVHZDCISA-N 2 0 334.464 1.357 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417223156 251148584 /nfs/dbraw/zinc/14/85/84/251148584.db2.gz RCVWMQQLEWYEIQ-ZNMIVQPWSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000417385207 251160657 /nfs/dbraw/zinc/16/06/57/251160657.db2.gz LUNBLTVAQWLTLD-MRXNPFEDSA-N 3 0 348.495 1.020 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000417562968 251188532 /nfs/dbraw/zinc/18/85/32/251188532.db2.gz GNCLKKNPVNKIRH-JYJNAYRXSA-N 2 0 326.485 1.162 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417439404 251173967 /nfs/dbraw/zinc/17/39/67/251173967.db2.gz LMWBNTGOIXQBGB-CABCVRRESA-N 2 0 326.485 1.304 20 0 EDADRP [NH3+]CCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000417647262 251211859 /nfs/dbraw/zinc/21/18/59/251211859.db2.gz HEHZECJTXREITL-CYBMUJFWSA-N 2 0 330.354 1.538 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000417651509 251214248 /nfs/dbraw/zinc/21/42/48/251214248.db2.gz NKCIUPVTBJTIGD-FUHWJXTLSA-N 2 0 330.476 1.950 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CCC[NH2+]1 ZINC000417675438 251224525 /nfs/dbraw/zinc/22/45/25/251224525.db2.gz CANFYOCFRGDLMY-YOEHRIQHSA-N 2 0 328.501 1.421 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC([NH3+])(CC)CC)CC1 ZINC000417761046 251260125 /nfs/dbraw/zinc/26/01/25/251260125.db2.gz YPJCGERZZHFMSL-OAHLLOKOSA-N 2 0 327.517 1.077 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)NC2CCN(c3ccc(C)cn3)CC2)C1 ZINC000417723777 251242538 /nfs/dbraw/zinc/24/25/38/251242538.db2.gz CIPHFUTTWXIJFD-MRXNPFEDSA-N 2 0 345.491 2.000 20 0 EDADRP COCC1(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000262444550 139279416 /nfs/dbraw/zinc/27/94/16/139279416.db2.gz VGJVQPYTQDHHHI-MRXNPFEDSA-N 2 0 333.476 1.639 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)C1 ZINC000417830456 251288936 /nfs/dbraw/zinc/28/89/36/251288936.db2.gz GYSHREXESDUDOW-HZPDHXFCSA-N 2 0 346.475 1.427 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417816000 251281003 /nfs/dbraw/zinc/28/10/03/251281003.db2.gz BWJSUFJGMIJSRF-SOLBZPMBSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000417991801 251319524 /nfs/dbraw/zinc/31/95/24/251319524.db2.gz LQCLHCHXZJGTQT-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)[C@H](C[NH3+])C1 ZINC000418105077 251322946 /nfs/dbraw/zinc/32/29/46/251322946.db2.gz YZPMYLWTOQMWQZ-RRFJBIMHSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111286 251327094 /nfs/dbraw/zinc/32/70/94/251327094.db2.gz GRLPPHNJZPWCMR-WBVHZDCISA-N 2 0 340.512 1.694 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000418113934 251329576 /nfs/dbraw/zinc/32/95/76/251329576.db2.gz KOHXNILPVOFOBH-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418426123 251367265 /nfs/dbraw/zinc/36/72/65/251367265.db2.gz LJYXNLVYMSIECY-OAHLLOKOSA-N 2 0 339.528 1.314 20 0 EDADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1CC[NH2+]CC1 ZINC000418165524 251351375 /nfs/dbraw/zinc/35/13/75/251351375.db2.gz YHXQQLXPYCYXLG-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418385493 251363301 /nfs/dbraw/zinc/36/33/01/251363301.db2.gz LNYUDCMTXOLVMU-MRXNPFEDSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000418384416 251364260 /nfs/dbraw/zinc/36/42/60/251364260.db2.gz OHIWQNJTLJWUAG-IRXDYDNUSA-N 2 0 340.512 1.646 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)CCCC[NH3+])C[C@H]1CC ZINC000418716427 251395567 /nfs/dbraw/zinc/39/55/67/251395567.db2.gz YYJALJAVXGHWOR-HZPDHXFCSA-N 2 0 328.501 1.646 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000262585418 139288508 /nfs/dbraw/zinc/28/85/08/139288508.db2.gz OEXIELCAFJSDQK-UHFFFAOYSA-N 2 0 332.492 1.491 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C3([NH3+])CCCCC3)cc2)CC1 ZINC000262626387 139291095 /nfs/dbraw/zinc/29/10/95/139291095.db2.gz BVTWFZCQYGHJDK-UHFFFAOYSA-N 2 0 344.503 1.712 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000262630423 139291359 /nfs/dbraw/zinc/29/13/59/139291359.db2.gz DRBWUVRHWCGZQP-QZTJIDSGSA-N 2 0 330.476 1.178 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1ccc(Cl)cc1 ZINC000420403972 251703449 /nfs/dbraw/zinc/70/34/49/251703449.db2.gz LVNDHCMRXXHKOB-CHWSQXEVSA-N 2 0 339.867 1.691 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H](C[NH3+])OC)cc2)CC1 ZINC000262785663 139303556 /nfs/dbraw/zinc/30/35/56/139303556.db2.gz CPZDUYSVYOJAFM-KRWDZBQOSA-N 2 0 334.464 1.126 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000262881010 139310102 /nfs/dbraw/zinc/31/01/02/139310102.db2.gz VZMTVMQYZRRTQJ-SJLPKXTDSA-N 2 0 330.476 1.313 20 0 EDADRP CC[C@H](NCc1ccc(N2CC[NH+](CC)CC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000422885640 252011624 /nfs/dbraw/zinc/01/16/24/252011624.db2.gz ZASYZMLGFPBSHR-ROUUACIJSA-N 2 0 331.508 1.844 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000422898925 252017042 /nfs/dbraw/zinc/01/70/42/252017042.db2.gz NHOBJSWPVILIPO-IAGOWNOFSA-N 2 0 335.448 1.010 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000423736819 252067590 /nfs/dbraw/zinc/06/75/90/252067590.db2.gz CBDDULQEJYXEAM-OAHLLOKOSA-N 2 0 341.402 1.234 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423778486 252069963 /nfs/dbraw/zinc/06/99/63/252069963.db2.gz TWRYSPLVVWTMAU-LSDHHAIUSA-N 2 0 325.840 1.437 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422904555 252018244 /nfs/dbraw/zinc/01/82/44/252018244.db2.gz GYDXROCOAMRYQB-ROUUACIJSA-N 3 0 332.492 1.585 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@H]3COCCN3)c2)CC1 ZINC000423842195 252088738 /nfs/dbraw/zinc/08/87/38/252088738.db2.gz KBNJKEYCISYGAQ-QGZVFWFLSA-N 2 0 332.448 1.144 20 0 EDADRP CN(CC[NH3+])C(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000424013299 252114611 /nfs/dbraw/zinc/11/46/11/252114611.db2.gz WGMLTUCYSRLPAH-OAHLLOKOSA-N 2 0 329.366 1.858 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424081006 252126985 /nfs/dbraw/zinc/12/69/85/252126985.db2.gz USEMQTMPFAKCHB-HNNXBMFYSA-N 2 0 326.404 1.101 20 0 EDADRP C[C@@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCCC[NH2+]1 ZINC000423803347 252083579 /nfs/dbraw/zinc/08/35/79/252083579.db2.gz WPMYAMWGESXSCX-IBGZPJMESA-N 2 0 337.508 1.870 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)c3cn[nH]c3[C@H]3CCC[NH2+]C3)cc2C1 ZINC000424154501 252148189 /nfs/dbraw/zinc/14/81/89/252148189.db2.gz MNQIBSHADQIBNI-WCQYABFASA-N 2 0 340.431 1.340 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228644 252171566 /nfs/dbraw/zinc/17/15/66/252171566.db2.gz XKDXFMOOBXEENE-XKQJLSEDSA-N 2 0 343.475 1.571 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262917168 139312586 /nfs/dbraw/zinc/31/25/86/139312586.db2.gz ZBFSCCYRPSHSCN-HIFRSBDPSA-N 2 0 332.448 1.450 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000424464581 252237813 /nfs/dbraw/zinc/23/78/13/252237813.db2.gz ITLLZMJPKGCHMN-CJNGLKHVSA-N 2 0 332.448 1.333 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000424464586 252237909 /nfs/dbraw/zinc/23/79/09/252237909.db2.gz ITLLZMJPKGCHMN-CZUORRHYSA-N 2 0 332.448 1.333 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC000424435370 252230593 /nfs/dbraw/zinc/23/05/93/252230593.db2.gz GGKGCWIDHQPCLM-KRWDZBQOSA-N 2 0 346.475 1.629 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475019 252244201 /nfs/dbraw/zinc/24/42/01/252244201.db2.gz YJIOLVHKANDVIV-IRXDYDNUSA-N 2 0 344.459 1.477 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H]1CC ZINC000263031728 139318759 /nfs/dbraw/zinc/31/87/59/139318759.db2.gz RZOUANJWQSAPHT-RYRKJORJSA-N 2 0 325.497 1.853 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000365789359 285012083 /nfs/dbraw/zinc/01/20/83/285012083.db2.gz WSWREPBSRZQSHM-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261798565 285020064 /nfs/dbraw/zinc/02/00/64/285020064.db2.gz ZTPBJXKALPIFIG-KRWDZBQOSA-N 2 0 327.428 1.747 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000415707548 304260209 /nfs/dbraw/zinc/26/02/09/304260209.db2.gz WKHTVJHBMLJEPV-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2Br)CC1 ZINC000570322203 306537357 /nfs/dbraw/zinc/53/73/57/306537357.db2.gz DGMXDQFVHCXLAS-CQSZACIVSA-N 2 0 342.281 1.147 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)CC[C@H]([NH3+])c3ccccc3)C2)nn1 ZINC000570330734 306537603 /nfs/dbraw/zinc/53/76/03/306537603.db2.gz JJKBQMMIIKSYNW-IRXDYDNUSA-N 2 0 342.447 1.381 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000471643110 255015232 /nfs/dbraw/zinc/01/52/32/255015232.db2.gz GESHRYROZRZUMX-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)C2)C1 ZINC000489373634 255067834 /nfs/dbraw/zinc/06/78/34/255067834.db2.gz SLCHTIKFPZQQHA-HKUYNNGSSA-N 2 0 334.508 1.988 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccco1 ZINC000188652525 285251076 /nfs/dbraw/zinc/25/10/76/285251076.db2.gz DKKOMPFTMLAYQD-CQSZACIVSA-N 2 0 329.466 1.316 20 0 EDADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000494556935 255253384 /nfs/dbraw/zinc/25/33/84/255253384.db2.gz ZOPMIWVSXHNYAZ-PMPSAXMXSA-N 2 0 341.496 1.678 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000496164389 255359831 /nfs/dbraw/zinc/35/98/31/255359831.db2.gz BKVQWRMUWWSSMC-JKSUJKDBSA-N 2 0 343.512 1.924 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](C)CNC(=O)OC(C)(C)C ZINC000496341922 255383652 /nfs/dbraw/zinc/38/36/52/255383652.db2.gz IOFDVDWUKYMVRO-UONOGXRCSA-N 2 0 341.500 1.745 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000496378623 255389225 /nfs/dbraw/zinc/38/92/25/255389225.db2.gz UZRNJSOJSNMWSV-HNNXBMFYSA-N 2 0 328.501 1.517 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1conc1COC ZINC000362692534 285281713 /nfs/dbraw/zinc/28/17/13/285281713.db2.gz KWCWBOYVJZKGHH-AWEZNQCLSA-N 2 0 338.452 1.309 20 0 EDADRP C[C@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000118868630 221199427 /nfs/dbraw/zinc/19/94/27/221199427.db2.gz MPDKWPYIYBLKSO-CYBMUJFWSA-N 2 0 326.485 1.663 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262641558 285322109 /nfs/dbraw/zinc/32/21/09/285322109.db2.gz KXSFMGUZSGKLJR-LMMKCTJWSA-N 2 0 346.519 1.712 20 0 EDADRP C[C@H]1OCC[C@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000270670493 140144689 /nfs/dbraw/zinc/14/46/89/140144689.db2.gz WAVVIJKSGUHUDR-NVXWUHKLSA-N 2 0 347.463 1.070 20 0 EDADRP CC[N@H+](CCCO)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000270738000 140159271 /nfs/dbraw/zinc/15/92/71/140159271.db2.gz POCTTXFFKSWGIF-KRWDZBQOSA-N 2 0 347.503 1.860 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC3([NH+](C)C)CC3)CC2)c1 ZINC000416304370 304307564 /nfs/dbraw/zinc/30/75/64/304307564.db2.gz URYDVJGWIFQRBT-UHFFFAOYSA-N 2 0 344.503 1.718 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)[C@@H]2COc3ccccc32)CC1 ZINC000333183641 141277342 /nfs/dbraw/zinc/27/73/42/141277342.db2.gz SLHHEZLBQXNXIB-YOEHRIQHSA-N 2 0 331.460 1.741 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333274359 141291030 /nfs/dbraw/zinc/29/10/30/141291030.db2.gz GNNGECQNMXQLDE-UKRRQHHQSA-N 2 0 331.464 1.703 20 0 EDADRP C[C@H]1CCCCN1C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333364229 141306109 /nfs/dbraw/zinc/30/61/09/141306109.db2.gz DKPVFLSSTKUWDW-AWEZNQCLSA-N 2 0 331.464 1.524 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000333471216 141322760 /nfs/dbraw/zinc/32/27/60/141322760.db2.gz ASXPRBMMAVBGKX-HOCLYGCPSA-N 2 0 329.510 1.312 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000333542514 141334109 /nfs/dbraw/zinc/33/41/09/141334109.db2.gz ODRXBDCLSMYWKE-ZACQAIPSSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](C(=O)N1CCCCC1)[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333639533 141349045 /nfs/dbraw/zinc/34/90/45/141349045.db2.gz XASQJAUZHBIYFS-AWEZNQCLSA-N 2 0 331.464 1.524 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2cccc(O)c2Cl)CC1 ZINC000339256337 141994151 /nfs/dbraw/zinc/99/41/51/141994151.db2.gz FTGFTEOSONTQNO-UHFFFAOYSA-N 2 0 341.883 1.525 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339313741 142011271 /nfs/dbraw/zinc/01/12/71/142011271.db2.gz FBACFZLDKOYPOK-IYBDPMFKSA-N 2 0 328.501 1.232 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCCC[NH+]2CCCC2)C[C@H](C)O1 ZINC000339415866 142041785 /nfs/dbraw/zinc/04/17/85/142041785.db2.gz WOADXCUCWLJFQN-IYBDPMFKSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339923484 142201445 /nfs/dbraw/zinc/20/14/45/142201445.db2.gz OFHSZJUJTLZWDF-OAHLLOKOSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000339947167 142209124 /nfs/dbraw/zinc/20/91/24/142209124.db2.gz NVPBXLQPNGFMPX-QAPCUYQASA-N 2 0 341.459 1.432 20 0 EDADRP C[C@H](C[NH2+]C1CCC(CS(C)(=O)=O)CC1)CN1CC[NH+](C)CC1 ZINC000340233007 142314487 /nfs/dbraw/zinc/31/44/87/142314487.db2.gz WLGZTFDNQZKVLH-KLAILNCOSA-N 2 0 345.553 1.063 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340249591 142319322 /nfs/dbraw/zinc/31/93/22/142319322.db2.gz CBBFGLBVUGFMQX-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000341026352 142546993 /nfs/dbraw/zinc/54/69/93/142546993.db2.gz KNQYBAWCYDITCF-UHFFFAOYSA-N 2 0 333.524 1.990 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000344919488 143026958 /nfs/dbraw/zinc/02/69/58/143026958.db2.gz GQVQATHYMLCJHN-HOTGVXAUSA-N 2 0 342.528 1.076 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC000345044489 143043006 /nfs/dbraw/zinc/04/30/06/143043006.db2.gz PXLMGIQLZCSMOG-BZSNNMDCSA-N 2 0 336.524 1.488 20 0 EDADRP CC[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)[NH+](CC)CC ZINC000345916612 143146708 /nfs/dbraw/zinc/14/67/08/143146708.db2.gz PLZTXAMGPVRGAB-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000345966760 143152294 /nfs/dbraw/zinc/15/22/94/143152294.db2.gz BWEDFSHXOXDSAN-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+]2CCCCC2)[N@H+](C)C1 ZINC000345999560 143155743 /nfs/dbraw/zinc/15/57/43/143155743.db2.gz VSMMRTCWGRMURZ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000346000102 143155922 /nfs/dbraw/zinc/15/59/22/143155922.db2.gz YMRMNGYEBHTKFT-IAGOWNOFSA-N 2 0 335.492 1.765 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@H+](C(C)C)CCO2)[NH+]2CCCC2)o1 ZINC000346338673 143193536 /nfs/dbraw/zinc/19/35/36/143193536.db2.gz SFXRNFQAQROGFG-SJLPKXTDSA-N 2 0 349.475 1.950 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)CCCCCC2)C1 ZINC000347030331 143273891 /nfs/dbraw/zinc/27/38/91/143273891.db2.gz XTDIDXFUYZIXQC-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@H]1CC[NH+](CCOC)C1 ZINC000347036662 143274657 /nfs/dbraw/zinc/27/46/57/143274657.db2.gz WBPWSPWIURICTN-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NCc1ccnc(N2CCOCC2)c1)c1ccc2c(c1)C[NH2+]C2 ZINC000347536625 143332642 /nfs/dbraw/zinc/33/26/42/143332642.db2.gz QQZYWDZLKUKTTK-UHFFFAOYSA-N 2 0 338.411 1.451 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C[C@H](C)O1 ZINC000347648559 143345261 /nfs/dbraw/zinc/34/52/61/143345261.db2.gz PKYFGKQTEPKVBZ-GJZGRUSLSA-N 2 0 331.460 1.909 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000347727589 143355054 /nfs/dbraw/zinc/35/50/54/143355054.db2.gz RSYVXVKYBNFONJ-QGZVFWFLSA-N 2 0 337.508 1.679 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000347968947 143385031 /nfs/dbraw/zinc/38/50/31/143385031.db2.gz RUFVJHHGKHYTQA-WBVHZDCISA-N 2 0 338.496 1.080 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000348083466 143398789 /nfs/dbraw/zinc/39/87/89/143398789.db2.gz YHIZTSMMQYLKMR-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP COC[C@@]1(CNC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CCC[NH2+]1 ZINC000572825418 306599789 /nfs/dbraw/zinc/59/97/89/306599789.db2.gz HBFRADUZJAFYGK-PBHICJAKSA-N 2 0 326.485 1.127 20 0 EDADRP Cc1cc(N2CCC[C@H](NC(=O)N3CC[C@H]([NH+](C)C)C3)C2)nc(C)n1 ZINC000369775169 155171312 /nfs/dbraw/zinc/17/13/12/155171312.db2.gz WZBBVDKTGPNDPA-HOTGVXAUSA-N 2 0 346.479 1.408 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000416843010 304351099 /nfs/dbraw/zinc/35/10/99/304351099.db2.gz OCVCQYBYOBLESH-GOSISDBHSA-N 2 0 332.492 1.800 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846835 304351760 /nfs/dbraw/zinc/35/17/60/304351760.db2.gz UQDJZNNAWPFWCH-IEBWSBKVSA-N 2 0 346.475 1.329 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C[NH3+])C1 ZINC000416855840 304352026 /nfs/dbraw/zinc/35/20/26/304352026.db2.gz YQMBVVOBMHJTKV-HZPDHXFCSA-N 2 0 340.512 1.789 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC([C@H](C)[NH3+])CC2)C1 ZINC000416863889 304353319 /nfs/dbraw/zinc/35/33/19/304353319.db2.gz HJDRWZBWUJZZLA-HOCLYGCPSA-N 2 0 326.485 1.112 20 0 EDADRP CN(CCC[NH+]1CCN(C)CC1)Cc1csc(N(C)C2CC2)n1 ZINC000352776282 149160609 /nfs/dbraw/zinc/16/06/09/149160609.db2.gz BLHDNENAEDNDJY-UHFFFAOYSA-N 2 0 337.537 1.811 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCO1 ZINC000416900645 304354697 /nfs/dbraw/zinc/35/46/97/304354697.db2.gz JFTRZLOXBZRDLZ-QGZVFWFLSA-N 2 0 332.448 1.152 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H](C)O1 ZINC000416960183 304355600 /nfs/dbraw/zinc/35/56/00/304355600.db2.gz ZOWRKZBTTWBKTG-QXSJWSMHSA-N 2 0 326.485 1.302 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1(N2CCN(C)CC2)CCCC1 ZINC000369928754 155239252 /nfs/dbraw/zinc/23/92/52/155239252.db2.gz VUHGWOZIQMUCQO-QGZVFWFLSA-N 2 0 336.524 1.537 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)C2)CC1 ZINC000416970329 304357478 /nfs/dbraw/zinc/35/74/78/304357478.db2.gz DZABCTCBSZWXCR-INIZCTEOSA-N 2 0 330.476 1.963 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416977107 304359660 /nfs/dbraw/zinc/35/96/60/304359660.db2.gz SFYVCPUPPNZJKG-DOTOQJQBSA-N 2 0 348.491 1.944 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1cnn(C)c1 ZINC000355065058 150099444 /nfs/dbraw/zinc/09/94/44/150099444.db2.gz YOCJMGJAGOTPOE-WMLDXEAASA-N 2 0 329.448 1.490 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)N2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000417029897 304362525 /nfs/dbraw/zinc/36/25/25/304362525.db2.gz OAORXAFEXSGYSV-INIZCTEOSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[N@H+](C)CC[C@H]2C)C[C@@H](C)O1 ZINC000355483090 150286979 /nfs/dbraw/zinc/28/69/79/150286979.db2.gz RILHIUAEJYPSTL-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)NCCC[NH3+])CC2)c1 ZINC000417051073 304366859 /nfs/dbraw/zinc/36/68/59/304366859.db2.gz MMWMKNSABDXNAW-UHFFFAOYSA-N 2 0 347.507 1.545 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356956487 150868935 /nfs/dbraw/zinc/86/89/35/150868935.db2.gz IVISGVDQTSJVBS-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCC23CCCC3)C1 ZINC000370031886 155290877 /nfs/dbraw/zinc/29/08/77/155290877.db2.gz IKYDAYMYWJAEDY-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000357354549 151005800 /nfs/dbraw/zinc/00/58/00/151005800.db2.gz OPQPCPOOOBCNOA-MRXNPFEDSA-N 2 0 339.480 1.811 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000357658975 151105663 /nfs/dbraw/zinc/10/56/63/151105663.db2.gz CINWVZJDJZMKID-GVDBMIGSSA-N 2 0 342.528 1.905 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000357809018 151157006 /nfs/dbraw/zinc/15/70/06/151157006.db2.gz RPNVJPPDIFJVFJ-HZPDHXFCSA-N 2 0 340.512 1.515 20 0 EDADRP CC1(CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000357864194 151176745 /nfs/dbraw/zinc/17/67/45/151176745.db2.gz YYKJVZSMVKVZHW-UHFFFAOYSA-N 2 0 331.464 1.693 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358122678 151279457 /nfs/dbraw/zinc/27/94/57/151279457.db2.gz ZGMYDRREMBAZNR-BQFCYCMXSA-N 2 0 334.508 1.146 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCCCC[C@@H]2C)C1 ZINC000358409821 151366200 /nfs/dbraw/zinc/36/62/00/151366200.db2.gz ITQFKXYNOZQUDU-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000358419809 151368973 /nfs/dbraw/zinc/36/89/73/151368973.db2.gz JMPSYSWFVOCDPJ-IRXDYDNUSA-N 2 0 342.528 1.763 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000360509448 152074466 /nfs/dbraw/zinc/07/44/66/152074466.db2.gz XTIFBSWYXVKBTM-MRXNPFEDSA-N 2 0 345.491 1.583 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360745763 152182283 /nfs/dbraw/zinc/18/22/83/152182283.db2.gz NDJDNXYILYIISI-DOTOQJQBSA-N 2 0 342.553 1.940 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](CCO)CC2)[C@@H](C)C1 ZINC000361174801 152326981 /nfs/dbraw/zinc/32/69/81/152326981.db2.gz GDIDMVGFOLQLML-PKOBYXMFSA-N 3 0 341.540 1.417 20 0 EDADRP C(C[NH+]1CCOCC1)C1CC[NH+](CCN2CCCOCC2)CC1 ZINC000361294967 152356143 /nfs/dbraw/zinc/35/61/43/152356143.db2.gz CIPFAJIEMIULAJ-UHFFFAOYSA-N 2 0 325.497 1.143 20 0 EDADRP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@H](C[NH3+])C1 ZINC000417154624 304378790 /nfs/dbraw/zinc/37/87/90/304378790.db2.gz KQHZGEFFGUNFOT-YJBOKZPZSA-N 2 0 345.491 1.815 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363737209 153042359 /nfs/dbraw/zinc/04/23/59/153042359.db2.gz XBEGRYMMVBPLPK-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP C(C[N@@H+]1CCC2(C1)CC[NH+](CCC1OCCO1)CC2)C1OCCO1 ZINC000364120557 153149630 /nfs/dbraw/zinc/14/96/30/153149630.db2.gz PVYDUMRAVUHKPA-UHFFFAOYSA-N 2 0 340.464 1.300 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364218598 153178193 /nfs/dbraw/zinc/17/81/93/153178193.db2.gz HRKNDBIIOJJSGF-GOSISDBHSA-N 2 0 331.460 1.270 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417197196 304383356 /nfs/dbraw/zinc/38/33/56/304383356.db2.gz PYKWDXKRGOIAOP-OKZBNKHCSA-N 2 0 348.491 1.307 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1NC(C)=O ZINC000423177241 286369148 /nfs/dbraw/zinc/36/91/48/286369148.db2.gz IPZOUINDTGWYEU-AWEZNQCLSA-N 2 0 334.464 1.600 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCOCC3)n2)[C@H]2CCC[C@@H]21 ZINC000367621808 154202711 /nfs/dbraw/zinc/20/27/11/154202711.db2.gz UFQLMCDCEHVOGQ-SQNIBIBYSA-N 2 0 330.476 1.881 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCCCC[NH3+])CC2)cc1 ZINC000417326965 304392152 /nfs/dbraw/zinc/39/21/52/304392152.db2.gz GQWSNHFTAMEADF-UHFFFAOYSA-N 2 0 348.491 1.945 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417340125 304392682 /nfs/dbraw/zinc/39/26/82/304392682.db2.gz ABRJCLNDGOWBEA-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)[NH+]2CCCC2)cc1 ZINC000417351326 304394172 /nfs/dbraw/zinc/39/41/72/304394172.db2.gz CEZZPNNXUNEEDG-OKZBNKHCSA-N 2 0 346.475 1.011 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H]1C1CC1 ZINC000371173773 155813722 /nfs/dbraw/zinc/81/37/22/155813722.db2.gz ALISMBREMPCBHS-DLBZAZTESA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417476265 304398688 /nfs/dbraw/zinc/39/86/88/304398688.db2.gz CVAYGXZUGLBRPZ-RDJZCZTQSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000417486706 304399857 /nfs/dbraw/zinc/39/98/57/304399857.db2.gz YYEYELSBLJHEPZ-HOTGVXAUSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000371728936 156079804 /nfs/dbraw/zinc/07/98/04/156079804.db2.gz WKVIINAZUDUKIH-CZUORRHYSA-N 2 0 334.439 1.825 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000371815770 156118929 /nfs/dbraw/zinc/11/89/29/156118929.db2.gz WLGIWPANUAIEOL-MRXNPFEDSA-N 2 0 333.480 1.393 20 0 EDADRP CN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000417524702 304403308 /nfs/dbraw/zinc/40/33/08/304403308.db2.gz KABKMOCMMSFXDD-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)CC1 ZINC000375059962 292348826 /nfs/dbraw/zinc/34/88/26/292348826.db2.gz KZWKTBXFWQJTMT-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000417439427 292348885 /nfs/dbraw/zinc/34/88/85/292348885.db2.gz LPNOIYUCCASQDL-GOSISDBHSA-N 2 0 338.496 1.272 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000417545407 304404426 /nfs/dbraw/zinc/40/44/26/304404426.db2.gz JPOPNEZWZFFQRO-ZFWWWQNUSA-N 2 0 326.485 1.302 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC12CCOCC2 ZINC000575179750 306666622 /nfs/dbraw/zinc/66/66/22/306666622.db2.gz MSJBHRVIBXISPH-RDJZCZTQSA-N 2 0 329.444 1.087 20 0 EDADRP CCC[NH+]1CCC(N2CC[NH+](CCN3CCOC[C@@H]3C)CC2)CC1 ZINC000374150405 157167202 /nfs/dbraw/zinc/16/72/02/157167202.db2.gz FMUXUDIAPLNSBK-SFHVURJKSA-N 2 0 338.540 1.199 20 0 EDADRP CCCC(=O)N1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374290835 157227751 /nfs/dbraw/zinc/22/77/51/157227751.db2.gz HBGHFZKEWIIEOE-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374295077 157230410 /nfs/dbraw/zinc/23/04/10/157230410.db2.gz IXGACCWFYMZDBS-KGLIPLIRSA-N 2 0 348.491 1.559 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000374557952 157328232 /nfs/dbraw/zinc/32/82/32/157328232.db2.gz AVCGWIUXLXOQLZ-HXUWFJFHSA-N 2 0 345.487 1.177 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378208100 158110035 /nfs/dbraw/zinc/11/00/35/158110035.db2.gz FWRVGXAAKBRMII-QRVBRYPASA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)ccn1 ZINC000378353532 158148498 /nfs/dbraw/zinc/14/84/98/158148498.db2.gz GBKUAQLRUDFYRN-KBRIMQKVSA-N 2 0 332.448 1.823 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352208720 162052202 /nfs/dbraw/zinc/05/22/02/162052202.db2.gz SFKDTKJNTABUIF-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCCC[N@@H+]2C[C@@H]1C ZINC000352215024 162055402 /nfs/dbraw/zinc/05/54/02/162055402.db2.gz YXKJAUMUKYTLAG-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000363063540 162312451 /nfs/dbraw/zinc/31/24/51/162312451.db2.gz DYNHOGZHOPXDNV-BRWVUGGUSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@H]1C ZINC000186122779 287091756 /nfs/dbraw/zinc/09/17/56/287091756.db2.gz GZPJYAYSPAVXMV-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP CSC1(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)CC[NH+](C)CC1 ZINC000418202977 304463119 /nfs/dbraw/zinc/46/31/19/304463119.db2.gz UUSWGVKHEDLSSQ-AWEZNQCLSA-N 2 0 328.526 1.631 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000418328991 304480712 /nfs/dbraw/zinc/48/07/12/304480712.db2.gz OHPMYLBEKOCMBV-GOSISDBHSA-N 2 0 345.491 1.735 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000418338464 304482967 /nfs/dbraw/zinc/48/29/67/304482967.db2.gz KZLOWOSXYOQMIF-YOEHRIQHSA-N 2 0 334.464 1.597 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000362796171 287391099 /nfs/dbraw/zinc/39/10/99/287391099.db2.gz SVDMSRYGCIDWMU-OAGGEKHMSA-N 2 0 333.480 1.800 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)ccn2)CC1 ZINC000121252533 221798367 /nfs/dbraw/zinc/79/83/67/221798367.db2.gz DOZPNUSPGPZJGT-UHOSZYNNSA-N 2 0 342.487 1.881 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000122862353 222173877 /nfs/dbraw/zinc/17/38/77/222173877.db2.gz ABUQQRDPVQINFU-DOTOQJQBSA-N 2 0 340.443 1.040 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418416245 304493989 /nfs/dbraw/zinc/49/39/89/304493989.db2.gz UBLOLQGSCWWIEI-JKSUJKDBSA-N 2 0 328.501 1.504 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000418481777 304500999 /nfs/dbraw/zinc/50/09/99/304500999.db2.gz DQQYPNAPGBBDKR-CQSZACIVSA-N 2 0 334.464 1.304 20 0 EDADRP CC[C@@H](C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)[NH+](C)C ZINC000150931222 287590217 /nfs/dbraw/zinc/59/02/17/287590217.db2.gz YLSKHOISXYPWPH-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@@H]([NH3+])C2CC2)cc1 ZINC000418489067 304502132 /nfs/dbraw/zinc/50/21/32/304502132.db2.gz NRLCSAMSTSBMHP-GVDBMIGSSA-N 2 0 332.448 1.177 20 0 EDADRP Cc1c(C(=O)NCC[N@@H+](C)C2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237147872 273008160 /nfs/dbraw/zinc/00/81/60/273008160.db2.gz YRWHCYYJYWRGQY-UHFFFAOYSA-N 2 0 348.495 1.505 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261749311 273017289 /nfs/dbraw/zinc/01/72/89/273017289.db2.gz LAUGCEXQPVODNL-IEBWSBKVSA-N 2 0 345.487 1.721 20 0 EDADRP CC[N@H+](CCC(=O)OC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274675855 268181312 /nfs/dbraw/zinc/18/13/12/268181312.db2.gz UUVJBPMOJFQWJO-INIZCTEOSA-N 2 0 335.448 1.291 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCCO ZINC000276341226 273161168 /nfs/dbraw/zinc/16/11/68/273161168.db2.gz HCGDPHNXLDKKSS-WMZOPIPTSA-N 2 0 333.476 1.470 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655911704 452668456 /nfs/dbraw/zinc/66/84/56/452668456.db2.gz LWPMGUHUOJOULV-FRRDWIJNSA-N 2 0 338.418 1.933 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO)c1ccccc1 ZINC000279330186 273293515 /nfs/dbraw/zinc/29/35/15/273293515.db2.gz TVDOMOOESARZTF-CGTJXYLNSA-N 2 0 333.476 1.546 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655915105 452674266 /nfs/dbraw/zinc/67/42/66/452674266.db2.gz LHHPPAHIRGOSOY-LBPRGKRZSA-N 2 0 333.358 1.044 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000284027846 274052864 /nfs/dbraw/zinc/05/28/64/274052864.db2.gz OOXBLGQGOPQULJ-QGZVFWFLSA-N 2 0 340.471 1.963 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417312155 274063524 /nfs/dbraw/zinc/06/35/24/274063524.db2.gz NCVAEORHMDJPJN-KURKYZTESA-N 2 0 348.491 1.745 20 0 EDADRP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000246126115 287728252 /nfs/dbraw/zinc/72/82/52/287728252.db2.gz AMVGXUNUALRWGP-BZUAXINKSA-N 2 0 342.528 1.761 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)Cc1ccccc1 ZINC000284505301 274226388 /nfs/dbraw/zinc/22/63/88/274226388.db2.gz BVFWDSPRGPKGTL-GOSISDBHSA-N 2 0 347.503 1.811 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000422879576 274305262 /nfs/dbraw/zinc/30/52/62/274305262.db2.gz MPBSIMRUMRAKOW-HNJNHCNJSA-N 2 0 330.432 1.219 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CC1 ZINC000267024053 277032297 /nfs/dbraw/zinc/03/22/97/277032297.db2.gz DCKIKALPFYDZQP-GOSISDBHSA-N 2 0 345.487 1.614 20 0 EDADRP COC1(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CCOCC1 ZINC000372967466 277185427 /nfs/dbraw/zinc/18/54/27/277185427.db2.gz NLOIMGKGCWTRBC-DLBZAZTESA-N 2 0 325.497 1.140 20 0 EDADRP CO[C@@H]1CC[C@H]2OCC[N@H+](CCCN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000249207553 277296653 /nfs/dbraw/zinc/29/66/53/277296653.db2.gz BWIDXPNZKRFLRZ-GUDVDZBRSA-N 2 0 339.524 1.671 20 0 EDADRP CS(=O)(=O)N1CC[C@H](C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000338283140 278111782 /nfs/dbraw/zinc/11/17/82/278111782.db2.gz HFYDESDXJHASDD-BFYDXBDKSA-N 2 0 341.521 1.217 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000272754165 278228874 /nfs/dbraw/zinc/22/88/74/278228874.db2.gz JJRPDFSQIXKSPJ-YJBOKZPZSA-N 2 0 348.491 1.393 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722428 278232686 /nfs/dbraw/zinc/23/26/86/278232686.db2.gz ODLUVBQVMGVOJD-QFBILLFUSA-N 2 0 348.491 1.263 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CC[C@@](C)(C[NH3+])C1)c1ccc(Br)cc1 ZINC000261866593 279149248 /nfs/dbraw/zinc/14/92/48/279149248.db2.gz RWPLOSPOUWAXMA-GJZGRUSLSA-N 2 0 340.265 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000341242581 279302694 /nfs/dbraw/zinc/30/26/94/279302694.db2.gz WZHOCNGZJZKFIK-BRWVUGGUSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236979884 279374240 /nfs/dbraw/zinc/37/42/40/279374240.db2.gz YHUOPSKKMIGSFU-CABCVRRESA-N 2 0 348.466 1.754 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262738543 279667943 /nfs/dbraw/zinc/66/79/43/279667943.db2.gz CJYATBIJQRGQHH-SJLPKXTDSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418197554 280104386 /nfs/dbraw/zinc/10/43/86/280104386.db2.gz TWWRZCZATKOWEX-RANZSIQMSA-N 2 0 328.460 1.653 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCCN2C(=O)c3ccccc3C2=O)[C@H](C)C1 ZINC000287308503 288206182 /nfs/dbraw/zinc/20/61/82/288206182.db2.gz DWVFOGGAVNOWNJ-PBHICJAKSA-N 2 0 329.444 1.993 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000452781678 280175143 /nfs/dbraw/zinc/17/51/43/280175143.db2.gz JDEOPQYRIJONFR-IAGOWNOFSA-N 2 0 325.497 1.460 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)[NH+]1CCN(C)CC1 ZINC000345476109 280247016 /nfs/dbraw/zinc/24/70/16/280247016.db2.gz GAIDQFLBAXNOCY-BBWFWOEESA-N 2 0 339.528 1.040 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)CCCCC2)CCO1 ZINC000444180748 281230345 /nfs/dbraw/zinc/23/03/45/281230345.db2.gz IAMYOLFLFCCYGE-APWZRJJASA-N 2 0 349.519 1.916 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333923686 281280591 /nfs/dbraw/zinc/28/05/91/281280591.db2.gz SLPRVSAWOHRQDT-YYIAUSFCSA-N 2 0 334.508 1.794 20 0 EDADRP Cc1ccc(CC(=O)NCCN2CCC([NH+](C)C)CC2)c(Cl)n1 ZINC000287761322 288317253 /nfs/dbraw/zinc/31/72/53/288317253.db2.gz MBEQTGNBMDXCMC-UHFFFAOYSA-N 2 0 338.883 1.728 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262245475 281460640 /nfs/dbraw/zinc/46/06/40/281460640.db2.gz PLQYHJUQIYSECI-MBOZVWFJSA-N 2 0 349.519 1.853 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000291670338 289144737 /nfs/dbraw/zinc/14/47/37/289144737.db2.gz BEDBIWYCXPFFNM-ZIFCJYIRSA-N 2 0 345.487 1.734 20 0 EDADRP C[NH+](C)CCNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000378286973 289160809 /nfs/dbraw/zinc/16/08/09/289160809.db2.gz AKSKPQXXHNAXNZ-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000133475332 289354053 /nfs/dbraw/zinc/35/40/53/289354053.db2.gz OTNRCFLOCCHIJE-LSDHHAIUSA-N 2 0 325.453 1.640 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)CCSC1 ZINC000458526773 289399824 /nfs/dbraw/zinc/39/98/24/289399824.db2.gz WMTBGPJENBCYGL-IRXDYDNUSA-N 2 0 340.537 1.551 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)N[C@@H]1CCCC[NH2+]C1 ZINC000333945139 295632899 /nfs/dbraw/zinc/63/28/99/295632899.db2.gz SNLJUFOOOYRTGV-OAHLLOKOSA-N 2 0 340.537 1.789 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000418539694 304510198 /nfs/dbraw/zinc/51/01/98/304510198.db2.gz FYBVRCUNSNIZQJ-NJAFHUGGSA-N 2 0 346.475 1.582 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000418564753 304513430 /nfs/dbraw/zinc/51/34/30/304513430.db2.gz USBRGKJNDRGILG-DLBZAZTESA-N 2 0 348.491 1.767 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418635489 304522481 /nfs/dbraw/zinc/52/24/81/304522481.db2.gz KTEFPUNIJNUKAU-FUHWJXTLSA-N 2 0 334.464 1.317 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1)C(C)(C)C ZINC000419138289 304569519 /nfs/dbraw/zinc/56/95/19/304569519.db2.gz SFJMMROTPSUZID-CABCVRRESA-N 2 0 340.512 1.056 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)C1CC1 ZINC000420324735 298251726 /nfs/dbraw/zinc/25/17/26/298251726.db2.gz HOXZESNTHGPLID-GDBMZVCRSA-N 2 0 335.492 1.463 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000414958862 299004657 /nfs/dbraw/zinc/00/46/57/299004657.db2.gz DSLODEKOHGIVMM-LXZKKBNFSA-N 2 0 344.459 1.588 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419819098 304689846 /nfs/dbraw/zinc/68/98/46/304689846.db2.gz NBFHDIZRKOBZOP-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000419875304 304702818 /nfs/dbraw/zinc/70/28/18/304702818.db2.gz DVYDTHUZWDJCEU-CVEARBPZSA-N 2 0 340.512 1.071 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C(C)C ZINC000420393379 304755082 /nfs/dbraw/zinc/75/50/82/304755082.db2.gz QJMKMHSLRZRENQ-IAGOWNOFSA-N 2 0 325.497 1.850 20 0 EDADRP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414755002 447322944 /nfs/dbraw/zinc/32/29/44/447322944.db2.gz GYJHXEAVGPXJMH-QAPCUYQASA-N 2 0 339.480 1.095 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000293492266 302974128 /nfs/dbraw/zinc/97/41/28/302974128.db2.gz RZDKZSQTSGZRNZ-HKUYNNGSSA-N 2 0 342.487 1.409 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@H]1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000343513974 303090938 /nfs/dbraw/zinc/09/09/38/303090938.db2.gz IIUYHPFMKUAHLF-RDJZCZTQSA-N 2 0 335.496 1.113 20 0 EDADRP CCOC(=O)c1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)[nH]c1C ZINC000294675906 303135898 /nfs/dbraw/zinc/13/58/98/303135898.db2.gz AUTFTKDXROMBEK-CQSZACIVSA-N 2 0 336.480 1.615 20 0 EDADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCN(CCCO)C2)cc1 ZINC000295045069 303166675 /nfs/dbraw/zinc/16/66/75/303166675.db2.gz FDWDCKPZBSFFNX-RDJZCZTQSA-N 2 0 349.475 1.849 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414855787 447328483 /nfs/dbraw/zinc/32/84/83/447328483.db2.gz NQATVTZSKNOMTH-KBPBESRZSA-N 2 0 344.459 1.607 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000418743211 303457412 /nfs/dbraw/zinc/45/74/12/303457412.db2.gz SEHSLELWLGWALV-BRWVUGGUSA-N 2 0 338.496 1.258 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000458369294 447331057 /nfs/dbraw/zinc/33/10/57/447331057.db2.gz OFWSWLXECVJMOV-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC1 ZINC000298961626 303573634 /nfs/dbraw/zinc/57/36/34/303573634.db2.gz XVUGVNJIRFOQBX-SFHVURJKSA-N 2 0 332.492 1.895 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419667533 447333198 /nfs/dbraw/zinc/33/31/98/447333198.db2.gz BVIFRUJWEWYSTC-HZPDHXFCSA-N 2 0 340.512 1.055 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)c1 ZINC000414888378 447345056 /nfs/dbraw/zinc/34/50/56/447345056.db2.gz RILUPFKZIGZALQ-MRXNPFEDSA-N 2 0 332.448 1.985 20 0 EDADRP CC(C)[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414881996 447342433 /nfs/dbraw/zinc/34/24/33/447342433.db2.gz LUDHOBHYPLDNSX-CJNGLKHVSA-N 2 0 332.448 1.443 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000422098306 447346309 /nfs/dbraw/zinc/34/63/09/447346309.db2.gz BUENOYPDVWLYLF-INIZCTEOSA-N 2 0 340.512 1.116 20 0 EDADRP CN(c1ccccc1)c1ccc(C[NH2+]CCN2CC[NH2+]CC2)cn1 ZINC000414892772 447346788 /nfs/dbraw/zinc/34/67/88/447346788.db2.gz YJYPPYKOMUXIMU-UHFFFAOYSA-N 2 0 325.460 1.844 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000423380397 304894110 /nfs/dbraw/zinc/89/41/10/304894110.db2.gz YQPUDIVASXQGHC-IHRRRGAJSA-N 2 0 325.478 1.871 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000423705986 304904756 /nfs/dbraw/zinc/90/47/56/304904756.db2.gz AOLXSLIXDURXCM-UHFFFAOYSA-N 3 0 336.524 1.667 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000424453644 304929977 /nfs/dbraw/zinc/92/99/77/304929977.db2.gz KOSBPLLZALUIMC-OAHLLOKOSA-N 2 0 344.459 1.337 20 0 EDADRP C[C@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428950633 305020730 /nfs/dbraw/zinc/02/07/30/305020730.db2.gz GBXKSZIRDKLFEZ-QFBILLFUSA-N 2 0 344.503 1.552 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430617038 305059386 /nfs/dbraw/zinc/05/93/86/305059386.db2.gz JNXDHOMWLBUJCI-ZDUSSCGKSA-N 2 0 335.448 1.552 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000430706525 305062999 /nfs/dbraw/zinc/06/29/99/305062999.db2.gz NHTXUFSMJDYTML-SFHVURJKSA-N 2 0 331.460 1.920 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCN2CCc3ccccc32)CC1 ZINC000430920898 305068123 /nfs/dbraw/zinc/06/81/23/305068123.db2.gz QWTISFSVEAJOCI-OAHLLOKOSA-N 2 0 330.476 1.225 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)CC1 ZINC000430944855 305069834 /nfs/dbraw/zinc/06/98/34/305069834.db2.gz VATVJDAKKGFOQP-YQQAZPJKSA-N 2 0 325.497 1.757 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN(C)[C@@H](C)C[NH3+])CC1 ZINC000430950006 305070126 /nfs/dbraw/zinc/07/01/26/305070126.db2.gz PFZRYTLGGMKBRP-KRWDZBQOSA-N 2 0 332.492 1.308 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032005 305073224 /nfs/dbraw/zinc/07/32/24/305073224.db2.gz GSPUBSROWUNRKS-CYBMUJFWSA-N 2 0 331.416 1.818 20 0 EDADRP O=C(CN1CC[NH2+]CC12CCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000431093366 305074863 /nfs/dbraw/zinc/07/48/63/305074863.db2.gz JXVAVVLBMREGIK-UHFFFAOYSA-N 2 0 334.508 1.338 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2ccc3c(c2)CCO3)CC1 ZINC000433149275 305101756 /nfs/dbraw/zinc/10/17/56/305101756.db2.gz INEKWVCCXMYXPA-UHFFFAOYSA-N 2 0 331.460 1.484 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCC[C@H]2n2cccn2)CC1 ZINC000433156367 305101881 /nfs/dbraw/zinc/10/18/81/305101881.db2.gz BBAHZRYCUHQKAL-DLBZAZTESA-N 2 0 333.480 1.686 20 0 EDADRP Cc1nc(C[C@H]2CCCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)C2)no1 ZINC000433157856 305102049 /nfs/dbraw/zinc/10/20/49/305102049.db2.gz NYCVHEIKURTGQT-OAHLLOKOSA-N 2 0 349.479 1.362 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000433395210 305107738 /nfs/dbraw/zinc/10/77/38/305107738.db2.gz PZNHNWZGMFEWPE-HZPDHXFCSA-N 2 0 338.496 1.437 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000434684561 305127566 /nfs/dbraw/zinc/12/75/66/305127566.db2.gz LQYZBBFECCXFSI-HIFRSBDPSA-N 2 0 332.448 1.450 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435373062 305139428 /nfs/dbraw/zinc/13/94/28/305139428.db2.gz LRQLMARQKBFYBN-JKSUJKDBSA-N 2 0 331.460 1.857 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000438203378 305182981 /nfs/dbraw/zinc/18/29/81/305182981.db2.gz VHVWOFNYGCNXHK-UHFFFAOYSA-N 2 0 343.874 1.959 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CC(C)C)C1 ZINC000438854427 305190128 /nfs/dbraw/zinc/19/01/28/305190128.db2.gz WITPOCXLXBMWGX-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(-n3ccnc3)cc2)CC1(C)C ZINC000441388168 305221887 /nfs/dbraw/zinc/22/18/87/305221887.db2.gz RPQIGGIFSWOHEP-UHFFFAOYSA-N 2 0 327.476 1.988 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000442890545 305230376 /nfs/dbraw/zinc/23/03/76/305230376.db2.gz OTVIJAQGNRQQPH-LLVKDONJSA-N 2 0 334.386 1.953 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000444371297 305247279 /nfs/dbraw/zinc/24/72/79/305247279.db2.gz GKXKZRBEZTWBHA-YJBOKZPZSA-N 2 0 337.508 1.697 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446365714 305263797 /nfs/dbraw/zinc/26/37/97/305263797.db2.gz BEQISSVTMMPXLN-PSFFPDNBSA-N 2 0 335.492 1.652 20 0 EDADRP C[NH+](C)[C@@H]1CCOc2c(NC(=O)[C@@H]3C[N@@H+]4CCN3CCC4)cccc21 ZINC000447723990 305284536 /nfs/dbraw/zinc/28/45/36/305284536.db2.gz SMVOHRPLABVWEN-SJORKVTESA-N 2 0 344.459 1.400 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000449120028 305307212 /nfs/dbraw/zinc/30/72/12/305307212.db2.gz BTEACHWPYFVXFQ-HNNXBMFYSA-N 2 0 341.496 1.402 20 0 EDADRP CC[N@H+](CCO)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449246576 305309457 /nfs/dbraw/zinc/30/94/57/305309457.db2.gz CGAICSBSHBMJOI-SFHVURJKSA-N 2 0 333.520 1.986 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC[N@@H+]1C[C@@H](C)O ZINC000449349032 305312331 /nfs/dbraw/zinc/31/23/31/305312331.db2.gz OBFVMIMZUACYGN-POAQFYNOSA-N 2 0 345.487 1.221 20 0 EDADRP CC(C)(CNC(=O)CN1CCSC[C@H]1C1CC1)N1CCOCC1 ZINC000451650096 305359104 /nfs/dbraw/zinc/35/91/04/305359104.db2.gz UMZWVMXVAYVPES-HNNXBMFYSA-N 2 0 341.521 1.041 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000457573956 305492441 /nfs/dbraw/zinc/49/24/41/305492441.db2.gz JXAJEKOYMWYKJV-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP CC[C@H](NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H](C)O ZINC000458102038 305500918 /nfs/dbraw/zinc/50/09/18/305500918.db2.gz IJUYNNJUPNFDNS-RDJZCZTQSA-N 2 0 349.479 1.052 20 0 EDADRP C[C@H](CNc1nc(NC[C@H](C)C[NH+](C)C)ncc1Cl)C[NH+](C)C ZINC000489021190 305561050 /nfs/dbraw/zinc/56/10/50/305561050.db2.gz VBBWZZZNGGAYBA-OLZOCXBDSA-N 2 0 342.919 1.193 20 0 EDADRP COC[C@]1(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CCC[NH2+]1 ZINC000414934775 447363613 /nfs/dbraw/zinc/36/36/13/447363613.db2.gz AJIAHGFFUPMMIH-GOSISDBHSA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000534312009 306005844 /nfs/dbraw/zinc/00/58/44/306005844.db2.gz KLFMAIUABDYYGF-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP C[NH+]1CCC(Nc2ccc3[nH]c(CCN4CCOCC4)[nH+]c3c2)CC1 ZINC000545899472 306087293 /nfs/dbraw/zinc/08/72/93/306087293.db2.gz OKLRFDMJTHDMJY-UHFFFAOYSA-N 2 0 343.475 1.944 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000548102186 306119883 /nfs/dbraw/zinc/11/98/83/306119883.db2.gz YBEXBGDBCMHWBP-DLBZAZTESA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000551916918 306168241 /nfs/dbraw/zinc/16/82/41/306168241.db2.gz UDGGZOVVHYSAJY-KRWDZBQOSA-N 2 0 336.480 1.963 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C2CCC3(CC2)NC(=O)NC3=O)C1 ZINC000553659447 306187241 /nfs/dbraw/zinc/18/72/41/306187241.db2.gz YQRWSTDGYARVHT-VBCSKYIJSA-N 2 0 336.480 1.465 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000557133924 306224702 /nfs/dbraw/zinc/22/47/02/306224702.db2.gz GWGJEBKWPIAMQV-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP COc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc(OC)c1 ZINC000414968684 447378978 /nfs/dbraw/zinc/37/89/78/447378978.db2.gz FTTXGWJFUPVOAH-HNNXBMFYSA-N 2 0 347.381 1.630 20 0 EDADRP COCC1(C[NH2+][C@@H](C)Cn2cc(Br)cn2)CC[NH2+]CC1 ZINC000414974484 447379855 /nfs/dbraw/zinc/37/98/55/447379855.db2.gz MHHJWUFHYAQELP-LBPRGKRZSA-N 2 0 345.285 1.640 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000414975888 447382295 /nfs/dbraw/zinc/38/22/95/447382295.db2.gz OQEDLFUOIHMFLX-CYBMUJFWSA-N 2 0 334.464 1.437 20 0 EDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000665282266 453634625 /nfs/dbraw/zinc/63/46/25/453634625.db2.gz UOOGDYRBMWVWDS-HZPDHXFCSA-N 2 0 325.478 1.674 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000449708929 447388834 /nfs/dbraw/zinc/38/88/34/447388834.db2.gz HSHGUNBMOAGZBG-SFHVURJKSA-N 2 0 331.460 1.393 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000449708927 447389104 /nfs/dbraw/zinc/38/91/04/447389104.db2.gz HSHGUNBMOAGZBG-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000426210180 447399498 /nfs/dbraw/zinc/39/94/98/447399498.db2.gz LBVGRJZKHNOLLO-BFYDXBDKSA-N 2 0 338.496 1.364 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419800366 447421838 /nfs/dbraw/zinc/42/18/38/447421838.db2.gz HSUPYMZLYQSQND-UHFFFAOYSA-N 2 0 340.512 1.345 20 0 EDADRP C[C@H](CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)C[NH+]1CCCC1 ZINC000419812112 447426895 /nfs/dbraw/zinc/42/68/95/447426895.db2.gz GLPUYBXHRLCSMZ-CABCVRRESA-N 2 0 346.475 1.171 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])CC(C)C)cc1 ZINC000415426441 447427532 /nfs/dbraw/zinc/42/75/32/447427532.db2.gz LTOAUUJRMQXKMT-QGZVFWFLSA-N 2 0 348.491 1.957 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)c(Cl)c1 ZINC000103212103 441177019 /nfs/dbraw/zinc/17/70/19/441177019.db2.gz HWBNWXJBYKDVCA-UHFFFAOYSA-N 2 0 345.846 1.810 20 0 EDADRP COc1ccc2c(c1)OC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000103212696 441178057 /nfs/dbraw/zinc/17/80/57/441178057.db2.gz OZQSUSLWIRFTIW-INIZCTEOSA-N 2 0 349.475 1.198 20 0 EDADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000104102209 441189665 /nfs/dbraw/zinc/18/96/65/441189665.db2.gz SLCBKTNAHYBDRN-UHFFFAOYSA-N 2 0 343.493 1.118 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105169860 441239300 /nfs/dbraw/zinc/23/93/00/441239300.db2.gz CTECREHHKZTVAT-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[N@H+](C)C1CC1 ZINC000105169894 441239632 /nfs/dbraw/zinc/23/96/32/441239632.db2.gz LWGXNGSPEKDBNA-WBVHZDCISA-N 2 0 332.492 1.941 20 0 EDADRP COc1ccc2c(c1)C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000104533281 441197526 /nfs/dbraw/zinc/19/75/26/441197526.db2.gz LMYHNOZGEHKZBI-INIZCTEOSA-N 2 0 349.475 1.198 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)NC(=O)NCC(C)C)CC1 ZINC000052208534 441440420 /nfs/dbraw/zinc/44/04/20/441440420.db2.gz SPVBLJUXXWTVTC-UHFFFAOYSA-N 2 0 340.512 1.912 20 0 EDADRP C[N@H+](CCCN1C(=O)CNC1=O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110206 441599756 /nfs/dbraw/zinc/59/97/56/441599756.db2.gz UGWKIHGLSASXNJ-QGZVFWFLSA-N 2 0 344.459 1.382 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc2c(c1)CCO2 ZINC000055471318 441651316 /nfs/dbraw/zinc/65/13/16/441651316.db2.gz LNPHXQNENJDUII-UHFFFAOYSA-N 2 0 347.503 1.896 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000158189645 441702366 /nfs/dbraw/zinc/70/23/66/441702366.db2.gz KLOVHQALLGMSAR-KGLIPLIRSA-N 2 0 325.478 1.587 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000067726344 441674766 /nfs/dbraw/zinc/67/47/66/441674766.db2.gz IURWYGWUCJRYDR-UHFFFAOYSA-N 2 0 346.475 1.745 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000121737021 441769205 /nfs/dbraw/zinc/76/92/05/441769205.db2.gz VZEBSUMZZDRCEF-LJQANCHMSA-N 2 0 348.491 1.047 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000158328809 441725842 /nfs/dbraw/zinc/72/58/42/441725842.db2.gz CMMFURKDVZJFNB-KRWDZBQOSA-N 2 0 330.476 1.457 20 0 EDADRP COC[C@@H](O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092395448 441795061 /nfs/dbraw/zinc/79/50/61/441795061.db2.gz GSXDZVIOQOJLPQ-ZDUSSCGKSA-N 2 0 327.856 1.189 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)NCC2(O)CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000077785668 441861254 /nfs/dbraw/zinc/86/12/54/441861254.db2.gz NFZKHHFYXCRCKV-RDJZCZTQSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)OCC[NH+]1CCC(Nc2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092919246 441839272 /nfs/dbraw/zinc/83/92/72/441839272.db2.gz FKEOVUFOINPMEU-UHFFFAOYSA-N 2 0 345.451 1.546 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cscn1 ZINC000174463545 441926697 /nfs/dbraw/zinc/92/66/97/441926697.db2.gz XFBSXDHTQSILMM-OAHLLOKOSA-N 2 0 339.509 1.701 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000174360136 441916173 /nfs/dbraw/zinc/91/61/73/441916173.db2.gz YZXQKVIOWNKRIS-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@H+](CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000078031118 441896720 /nfs/dbraw/zinc/89/67/20/441896720.db2.gz DACJEZJCRMGTSD-UHFFFAOYSA-N 2 0 345.491 1.194 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000119867518 441967576 /nfs/dbraw/zinc/96/75/76/441967576.db2.gz ZIQJDTRXALQSDB-MJGOQNOKSA-N 2 0 348.491 1.435 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000150993432 441987964 /nfs/dbraw/zinc/98/79/64/441987964.db2.gz QXZZTCHMBWGGNT-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)CCC2CCOCC2)CC1 ZINC000120498226 442083665 /nfs/dbraw/zinc/08/36/65/442083665.db2.gz TZHYKZPWSBYREW-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CN1CCC(CNC(=O)[C@@]2(C)CCC[NH2+]C2)([NH+]2CCCCC2)CC1 ZINC000120525259 442089500 /nfs/dbraw/zinc/08/95/00/442089500.db2.gz DBSHGJQPEFYJFZ-SFHVURJKSA-N 2 0 336.524 1.443 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000126427642 442110724 /nfs/dbraw/zinc/11/07/24/442110724.db2.gz RGAMODZAVMMCHV-IBGZPJMESA-N 2 0 349.519 1.693 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC[N@H+](C)CC)[NH+]1CCOCC1 ZINC000120733531 442124814 /nfs/dbraw/zinc/12/48/14/442124814.db2.gz BCDWFUMNRGZQNN-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000458672509 447447005 /nfs/dbraw/zinc/44/70/05/447447005.db2.gz YOUADRXUWLQYDT-IAGOWNOFSA-N 2 0 340.512 1.397 20 0 EDADRP CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000121082600 442175634 /nfs/dbraw/zinc/17/56/34/442175634.db2.gz WSBBGHYBOIOUNX-GOSISDBHSA-N 2 0 338.540 1.591 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000166617439 442217667 /nfs/dbraw/zinc/21/76/67/442217667.db2.gz RRQWAUBGMODSBB-UHFFFAOYSA-N 2 0 334.420 1.483 20 0 EDADRP C[C@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@H](C)[NH2+]1 ZINC000154162760 442324169 /nfs/dbraw/zinc/32/41/69/442324169.db2.gz HMLPHTHKTJXHMO-MPGHIAIKSA-N 3 0 341.459 1.010 20 0 EDADRP CC1CCC(N(C)C(=O)C[N@H+](C)CCCN2CC[NH+](C)CC2)CC1 ZINC000129789382 442332213 /nfs/dbraw/zinc/33/22/13/442332213.db2.gz TYXROKOLJBNXTM-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000154352602 442334564 /nfs/dbraw/zinc/33/45/64/442334564.db2.gz ZUSWZEKWSAJXTK-UHFFFAOYSA-N 2 0 336.446 1.630 20 0 EDADRP COCc1nc(C)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000130279669 442342424 /nfs/dbraw/zinc/34/24/24/442342424.db2.gz JOJTXINLLPOIBA-UHFFFAOYSA-N 2 0 328.482 1.163 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+](C)CC1 ZINC000177725588 442376825 /nfs/dbraw/zinc/37/68/25/442376825.db2.gz CRBBXRGPJHGBCR-IRXDYDNUSA-N 2 0 336.524 1.393 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000178879236 442512346 /nfs/dbraw/zinc/51/23/46/442512346.db2.gz GJBCLSUXJUIVNP-LJQANCHMSA-N 2 0 346.450 1.859 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCOC1 ZINC000156898762 442531220 /nfs/dbraw/zinc/53/12/20/442531220.db2.gz AWHPUKFOJFCJOO-AYOQOUSVSA-N 2 0 345.487 1.899 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000157340003 442574525 /nfs/dbraw/zinc/57/45/25/442574525.db2.gz MWLSSOKIGMJWRN-MOPGFXCFSA-N 2 0 348.487 1.990 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231287 442618980 /nfs/dbraw/zinc/61/89/80/442618980.db2.gz BRJSNWLSTKNBLC-ROUUACIJSA-N 2 0 333.476 1.734 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC[N@@H+]2CCCOCC2)C1 ZINC000186915935 442629424 /nfs/dbraw/zinc/62/94/24/442629424.db2.gz XIHTXCSANMJRLJ-IAGOWNOFSA-N 2 0 340.512 1.376 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)Cc1ccccc1 ZINC000187907835 442697172 /nfs/dbraw/zinc/69/71/72/442697172.db2.gz RUQOJNLPKXPOAC-OKZBNKHCSA-N 2 0 333.476 1.433 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)c2c[nH+]ccc2N)CC1 ZINC000188142534 442715680 /nfs/dbraw/zinc/71/56/80/442715680.db2.gz UTPLVAZTPUSWSD-GASCZTMLSA-N 2 0 331.464 1.294 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000265517909 442805905 /nfs/dbraw/zinc/80/59/05/442805905.db2.gz SZBBWRZUIRZBKN-UHFFFAOYSA-N 2 0 345.487 1.859 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000188756191 442806014 /nfs/dbraw/zinc/80/60/14/442806014.db2.gz LTDLECLIVPGAFN-OAHLLOKOSA-N 2 0 345.491 1.784 20 0 EDADRP C[C@H](C(=O)N(C)C)[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246723595 442806854 /nfs/dbraw/zinc/80/68/54/442806854.db2.gz UWKCZSHDBTZWQD-BZUAXINKSA-N 2 0 325.497 1.674 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000268104132 442849406 /nfs/dbraw/zinc/84/94/06/442849406.db2.gz AXJCRNKCXFSBQW-FUHWJXTLSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1[NH+](C)C ZINC000268136172 442863844 /nfs/dbraw/zinc/86/38/44/442863844.db2.gz FBSZEVWRBVKOPA-YJBOKZPZSA-N 2 0 345.491 1.638 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@@H]1C ZINC000248593946 442904592 /nfs/dbraw/zinc/90/45/92/442904592.db2.gz HTWCDGXIDXFJOB-GJZGRUSLSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@@H]1[NH+](C)C ZINC000268255864 442920783 /nfs/dbraw/zinc/92/07/83/442920783.db2.gz HUFUXCVNDMPRSD-YOEHRIQHSA-N 2 0 346.475 1.138 20 0 EDADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000248748977 442923656 /nfs/dbraw/zinc/92/36/56/442923656.db2.gz GBDOCMFXDRYICI-MAPUTHEBSA-N 2 0 328.497 1.470 20 0 EDADRP COC[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000265796445 442924096 /nfs/dbraw/zinc/92/40/96/442924096.db2.gz NHZOOWQAFOYKEG-LJQANCHMSA-N 2 0 345.487 1.867 20 0 EDADRP CN(c1ccccc1C[NH2+]CCCn1ccnn1)C1CC[NH+](C)CC1 ZINC000184245636 318533484 /nfs/dbraw/zinc/53/34/84/318533484.db2.gz PQQFRFOVQINCTF-UHFFFAOYSA-N 2 0 342.491 1.988 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000189438899 442954135 /nfs/dbraw/zinc/95/41/35/442954135.db2.gz GVAGUCKEKKAFPN-UHFFFAOYSA-N 2 0 331.460 1.735 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC000249365933 442968541 /nfs/dbraw/zinc/96/85/41/442968541.db2.gz VTHQINMWIVNCOT-MSOLQXFVSA-N 2 0 325.497 1.282 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NCC2(O)CC[NH+](C)CC2)[NH+](C)C)cc1 ZINC000265932205 442973831 /nfs/dbraw/zinc/97/38/31/442973831.db2.gz JEVXWGQPVFZUIH-KRWDZBQOSA-N 2 0 348.491 1.354 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CN1CCOCC1)c1ccccc1 ZINC000249737112 443003256 /nfs/dbraw/zinc/00/32/56/443003256.db2.gz FTGQISDFVXZJRQ-QZTJIDSGSA-N 2 0 346.475 1.453 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1[NH+](C)C ZINC000266234879 443068352 /nfs/dbraw/zinc/06/83/52/443068352.db2.gz UETLIIHOUADZGF-QFBILLFUSA-N 2 0 344.503 1.456 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)N1CCOCC1 ZINC000236664457 443142803 /nfs/dbraw/zinc/14/28/03/443142803.db2.gz VDKHJEYUPNQTKR-ZWKOTPCHSA-N 2 0 331.460 1.346 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000185124529 443142827 /nfs/dbraw/zinc/14/28/27/443142827.db2.gz MAJFTCODKDTXMT-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP CC[C@H](O)CCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000268907128 443143232 /nfs/dbraw/zinc/14/32/32/443143232.db2.gz ZOYLDMCNZFYOPM-KRWDZBQOSA-N 2 0 349.479 1.054 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237936526 443189373 /nfs/dbraw/zinc/18/93/73/443189373.db2.gz JYUNNFHYTCPZGK-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP CO[C@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000269226023 443239326 /nfs/dbraw/zinc/23/93/26/443239326.db2.gz QREGZMBSFPTXFX-IRXDYDNUSA-N 2 0 328.416 1.049 20 0 EDADRP C[N@@H+]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000266792210 443242871 /nfs/dbraw/zinc/24/28/71/443242871.db2.gz PLRDYCJIOGGFOJ-UHFFFAOYSA-N 2 0 330.476 1.363 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262861446 443215870 /nfs/dbraw/zinc/21/58/70/443215870.db2.gz UECHFCZYKUYVMG-YOEHRIQHSA-N 2 0 346.475 1.128 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000383719861 319126019 /nfs/dbraw/zinc/12/60/19/319126019.db2.gz YDTNHHHEEGFYDR-AABGKKOBSA-N 2 0 331.504 1.753 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000397076185 319133660 /nfs/dbraw/zinc/13/36/60/319133660.db2.gz OKPSUGKHESGSHY-UHFFFAOYSA-N 2 0 329.238 1.614 20 0 EDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000397343533 319134128 /nfs/dbraw/zinc/13/41/28/319134128.db2.gz WWVHTROXBLLFPI-MGPQQGTHSA-N 2 0 341.477 1.018 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000397522679 319135278 /nfs/dbraw/zinc/13/52/78/319135278.db2.gz VKJSFDFFMXROHG-CABCVRRESA-N 2 0 341.496 1.869 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397609417 319135780 /nfs/dbraw/zinc/13/57/80/319135780.db2.gz YNYDVUFHIYIONE-MJGOQNOKSA-N 3 0 331.504 1.943 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC000412680647 319239355 /nfs/dbraw/zinc/23/93/55/319239355.db2.gz ZLXQYXMRRRBFMS-RTBURBONSA-N 2 0 347.503 1.980 20 0 EDADRP Cc1ccncc1[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414203913 319319612 /nfs/dbraw/zinc/31/96/12/319319612.db2.gz VRYXFWFXILLYDL-KRWDZBQOSA-N 2 0 332.492 1.837 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000414675586 319339951 /nfs/dbraw/zinc/33/99/51/319339951.db2.gz UBGBGHZXCZCWNQ-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[N@@H+]4CCC[C@@H]4C3)ccc21 ZINC000269267147 443258499 /nfs/dbraw/zinc/25/84/99/443258499.db2.gz PQGJONJBNZERRV-QGZVFWFLSA-N 2 0 326.444 1.910 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000414692322 319343271 /nfs/dbraw/zinc/34/32/71/319343271.db2.gz AUYFLPQIYUQGHL-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000415084115 319346338 /nfs/dbraw/zinc/34/63/38/319346338.db2.gz OBNJQAHYWQDRNB-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)CC1 ZINC000416174605 319398637 /nfs/dbraw/zinc/39/86/37/319398637.db2.gz CMDJLDCGTFUFMJ-UHFFFAOYSA-N 2 0 345.487 1.350 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000416813444 319462625 /nfs/dbraw/zinc/46/26/25/319462625.db2.gz UMNQUBGSLOKMGK-KSZLIROESA-N 2 0 330.476 1.930 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000416815012 319463235 /nfs/dbraw/zinc/46/32/35/319463235.db2.gz HIDBMLARXLFHPB-CRAIPNDOSA-N 2 0 332.448 1.812 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCO2)[NH+](C)C)cc1 ZINC000416833762 319465237 /nfs/dbraw/zinc/46/52/37/319465237.db2.gz CWNXGBUDOQLSLG-DLBZAZTESA-N 2 0 334.464 1.139 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416944672 319481711 /nfs/dbraw/zinc/48/17/11/319481711.db2.gz DIPLXXSMCDSBMP-NVXWUHKLSA-N 2 0 340.512 1.422 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000416954025 319484553 /nfs/dbraw/zinc/48/45/53/319484553.db2.gz LDONNPMAUPRCMI-IAGOWNOFSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000417483391 319496202 /nfs/dbraw/zinc/49/62/02/319496202.db2.gz RQIFSYKTKJNDJI-LJQANCHMSA-N 2 0 348.491 1.897 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418588254 319507091 /nfs/dbraw/zinc/50/70/91/319507091.db2.gz HPSNZGWDTALOMI-PBHICJAKSA-N 2 0 336.455 1.897 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000267089014 443338140 /nfs/dbraw/zinc/33/81/40/443338140.db2.gz UHXWRWBBOQRKPG-SFHVURJKSA-N 2 0 332.492 1.754 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)C1=CC[NH+](C)CC1 ZINC000272701406 443413791 /nfs/dbraw/zinc/41/37/91/443413791.db2.gz FROCPIVPUSOESY-INIZCTEOSA-N 2 0 342.487 1.994 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1C(=O)c2ccccc2C1=O ZINC000269689799 443398132 /nfs/dbraw/zinc/39/81/32/443398132.db2.gz NTBQUTDBUGQKGQ-KEYYUXOJSA-N 2 0 329.444 1.991 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)ccc1F ZINC000278974686 443478878 /nfs/dbraw/zinc/47/88/78/443478878.db2.gz JKDHHADWGFUPFX-CYBMUJFWSA-N 2 0 345.422 1.617 20 0 EDADRP COC1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000272821672 443457267 /nfs/dbraw/zinc/45/72/67/443457267.db2.gz WQQZMCMZYYVTSJ-UHFFFAOYSA-N 2 0 332.448 1.279 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422932372 319738884 /nfs/dbraw/zinc/73/88/84/319738884.db2.gz FPWBUSNTSSZQDZ-ZDUSSCGKSA-N 2 0 334.869 1.457 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCCCN1S(C)(=O)=O ZINC000423103784 319750614 /nfs/dbraw/zinc/75/06/14/319750614.db2.gz GPAYJFKNFGNTEA-DOMZBBRYSA-N 2 0 340.493 1.313 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423327255 319765145 /nfs/dbraw/zinc/76/51/45/319765145.db2.gz JYCBNIVTJIZZIQ-GOSISDBHSA-N 2 0 345.491 1.944 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423445622 319776470 /nfs/dbraw/zinc/77/64/70/319776470.db2.gz YEGDLLJACTXTCS-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C ZINC000267643277 443524763 /nfs/dbraw/zinc/52/47/63/443524763.db2.gz BAFHCRJQGZUIRX-CALCHBBNSA-N 2 0 345.491 1.891 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])C(C)C ZINC000423700390 319804082 /nfs/dbraw/zinc/80/40/82/319804082.db2.gz UBEHJTDZEPROOW-HZPDHXFCSA-N 2 0 340.512 1.292 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000283318102 443600385 /nfs/dbraw/zinc/60/03/85/443600385.db2.gz DUBACHMJCXBALT-UHFFFAOYSA-N 2 0 344.415 1.339 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCc2ccccc2C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279928046 443644177 /nfs/dbraw/zinc/64/41/77/443644177.db2.gz QRZOAGMJILVMID-OALUTQOASA-N 2 0 343.471 1.149 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H](C[NH3+])C(C)C)CCCC2)CC1 ZINC000433154350 319972682 /nfs/dbraw/zinc/97/26/82/319972682.db2.gz ZDADFIGVFAJJTM-INIZCTEOSA-N 2 0 325.497 1.757 20 0 EDADRP CC[C@H](C(=O)N1C[C@H](C)N(C(=O)[C@@H](CC)[NH+](C)C)C[C@H]1C)[NH+](C)C ZINC000441425033 320094834 /nfs/dbraw/zinc/09/48/34/320094834.db2.gz JTUNOBUDZBLIFU-QKPAOTATSA-N 2 0 340.512 1.115 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2)CC1 ZINC000444271948 320124136 /nfs/dbraw/zinc/12/41/36/320124136.db2.gz UWCAZJZDKFYBMY-AZUAARDMSA-N 2 0 342.487 1.762 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442907 320142005 /nfs/dbraw/zinc/14/20/05/320142005.db2.gz SUHSFLPLCBFQHX-ROUUACIJSA-N 2 0 347.503 1.939 20 0 EDADRP OC1CCN(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449645273 320196674 /nfs/dbraw/zinc/19/66/74/320196674.db2.gz JDYWXLLDYQHDJD-CEWLAPEOSA-N 2 0 343.515 1.943 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449727269 320202601 /nfs/dbraw/zinc/20/26/01/320202601.db2.gz PCQZSQXIWNFKSN-DOTOQJQBSA-N 2 0 330.476 1.686 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)[NH+](C)C)CC2)cc1 ZINC000455443202 320303270 /nfs/dbraw/zinc/30/32/70/320303270.db2.gz PJSZINGGULXHSI-INIZCTEOSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc(C[NH+](C)C)c2)C[C@H](C)[N@H+]1CCO ZINC000457781153 320335968 /nfs/dbraw/zinc/33/59/68/320335968.db2.gz XHLDRJMIIQKIIO-IYBDPMFKSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)C[C@@H]1C ZINC000458841813 320342918 /nfs/dbraw/zinc/34/29/18/320342918.db2.gz GDEKJMNMHAVLCL-DLBZAZTESA-N 2 0 340.512 1.349 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000458851064 320343056 /nfs/dbraw/zinc/34/30/56/320343056.db2.gz USLAHSXZOOBICJ-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCCOCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000471647398 320352924 /nfs/dbraw/zinc/35/29/24/320352924.db2.gz GVUFNHKQCSCHTM-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2)CC1 ZINC000280257304 443684703 /nfs/dbraw/zinc/68/47/03/443684703.db2.gz OBRRDBXEYNZRKH-UHFFFAOYSA-N 2 0 342.487 1.426 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000286382546 443702702 /nfs/dbraw/zinc/70/27/02/443702702.db2.gz CHLAWCYRHUHPGG-OIISXLGYSA-N 2 0 346.475 1.004 20 0 EDADRP CCOc1nc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2[nH]1 ZINC000517010789 320445068 /nfs/dbraw/zinc/44/50/68/320445068.db2.gz JVPJQXMGXOVTJQ-UHFFFAOYSA-N 2 0 347.463 1.527 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C[NH+]1CCCC1 ZINC000521410111 320482904 /nfs/dbraw/zinc/48/29/04/320482904.db2.gz ZEJKTPXVKIEFFU-RYQLBKOJSA-N 2 0 330.476 1.855 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298559173 443799335 /nfs/dbraw/zinc/79/93/35/443799335.db2.gz VUABGTXSEPQYPD-IBGZPJMESA-N 3 0 332.492 1.877 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000276709541 443799531 /nfs/dbraw/zinc/79/95/31/443799531.db2.gz WRFYQLXJESOFSF-MRXNPFEDSA-N 2 0 343.471 1.169 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCc1ccccc1 ZINC000530240075 320616861 /nfs/dbraw/zinc/61/68/61/320616861.db2.gz XGAZCDUVZNYEKB-SFHVURJKSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@H]([NH2+]CCc1cncn1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276736666 443807149 /nfs/dbraw/zinc/80/71/49/443807149.db2.gz YPPQUPBEWLKHSS-ZDUSSCGKSA-N 2 0 336.461 1.564 20 0 EDADRP C[C@@H]([NH2+]CCc1cncn1C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000276736653 443807533 /nfs/dbraw/zinc/80/75/33/443807533.db2.gz YPPQUPBEWLKHSS-CYBMUJFWSA-N 2 0 336.461 1.564 20 0 EDADRP C[N@H+](CC[C@@H]1CCOC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285430800 443982148 /nfs/dbraw/zinc/98/21/48/443982148.db2.gz KOLCYWTUNKCVGL-LJQANCHMSA-N 2 0 345.487 1.689 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557241797 321001234 /nfs/dbraw/zinc/00/12/34/321001234.db2.gz HMMLYVMKSXGFCQ-VQHPVUNQSA-N 2 0 338.496 1.127 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+]2CCC1CC2 ZINC000558363652 321011920 /nfs/dbraw/zinc/01/19/20/321011920.db2.gz RJZRBURRSGJKOE-QGZVFWFLSA-N 2 0 328.460 1.751 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000561428181 321040980 /nfs/dbraw/zinc/04/09/80/321040980.db2.gz SQLAVMDKEYVKSP-AZUAARDMSA-N 2 0 345.487 1.614 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c(=O)[nH]1 ZINC000562960209 321083992 /nfs/dbraw/zinc/08/39/92/321083992.db2.gz GCZBVADNAJNYMR-YJBOKZPZSA-N 2 0 326.400 1.836 20 0 EDADRP CN(C[C@H](O)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000562991233 321085928 /nfs/dbraw/zinc/08/59/28/321085928.db2.gz MFQSUVDYLUHXAS-SJLPKXTDSA-N 2 0 331.460 1.080 20 0 EDADRP CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CC[NH2+]C1 ZINC000563099955 321095300 /nfs/dbraw/zinc/09/53/00/321095300.db2.gz ILJAGAYUJHVMMU-QZTJIDSGSA-N 2 0 330.476 1.894 20 0 EDADRP Cn1ccnc1[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000564386093 321128440 /nfs/dbraw/zinc/12/84/40/321128440.db2.gz ZEGLHAPUSBQIMD-IAGOWNOFSA-N 2 0 332.423 1.693 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC1 ZINC000564695884 321142296 /nfs/dbraw/zinc/14/22/96/321142296.db2.gz GKNVWVSAOWDKPS-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000565411344 321185438 /nfs/dbraw/zinc/18/54/38/321185438.db2.gz QDDHQBSINTUTEC-WOCWXWTJSA-N 2 0 345.487 1.898 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000566103320 321214952 /nfs/dbraw/zinc/21/49/52/321214952.db2.gz GIBWYXVISCGHBO-YJBOKZPZSA-N 2 0 349.475 1.558 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2cccc(C(C)(C)C)c2)CC1 ZINC000566116342 321217288 /nfs/dbraw/zinc/21/72/88/321217288.db2.gz JZICXOIYQSYYFY-SFHVURJKSA-N 2 0 349.519 1.561 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCSC1 ZINC000566795339 321233898 /nfs/dbraw/zinc/23/38/98/321233898.db2.gz LKBDVFGHJPZTKA-SJLPKXTDSA-N 2 0 348.516 1.691 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000566971858 321237626 /nfs/dbraw/zinc/23/76/26/321237626.db2.gz QSORGURVCISIEH-MAUKXSAKSA-N 2 0 332.492 1.992 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000567478678 321243578 /nfs/dbraw/zinc/24/35/78/321243578.db2.gz MYSCIONMTMTNEM-MJGOQNOKSA-N 2 0 342.487 1.905 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)CCCC[NH3+])cc2)CC1 ZINC000567806436 321258947 /nfs/dbraw/zinc/25/89/47/321258947.db2.gz IYBSWWJEYHSLQI-UHFFFAOYSA-N 2 0 334.464 1.380 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000567896491 321267245 /nfs/dbraw/zinc/26/72/45/321267245.db2.gz TZKLWKOKCRHRLU-OALUTQOASA-N 2 0 345.487 1.252 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)CCC2 ZINC000568739804 321303853 /nfs/dbraw/zinc/30/38/53/321303853.db2.gz SBVPJIRZMKDNOZ-RCCFBDPRSA-N 2 0 349.500 1.689 20 0 EDADRP CSC1(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000569048052 321315754 /nfs/dbraw/zinc/31/57/54/321315754.db2.gz KRVFDHGLGTVGKN-AWEZNQCLSA-N 2 0 328.526 1.455 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285771115 444102143 /nfs/dbraw/zinc/10/21/43/444102143.db2.gz SVAARZZTDNQVAP-OAHLLOKOSA-N 2 0 346.475 1.696 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000570029693 321334725 /nfs/dbraw/zinc/33/47/25/321334725.db2.gz KWOPQNWZJLPTHQ-SJLPKXTDSA-N 2 0 339.443 1.424 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[C@H](C)[NH3+])[C@H](C)C1 ZINC000571082882 321370280 /nfs/dbraw/zinc/37/02/80/321370280.db2.gz WELGSTCMIGSKHS-QXSJWSMHSA-N 2 0 328.501 1.548 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285904207 444147854 /nfs/dbraw/zinc/14/78/54/444147854.db2.gz CVRFSOGIMBBSAR-DLBZAZTESA-N 2 0 342.491 1.801 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000574024668 321467425 /nfs/dbraw/zinc/46/74/25/321467425.db2.gz FMRLMKCWXRVPCT-GVDBMIGSSA-N 2 0 334.508 1.794 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)cc1 ZINC000575779118 321527013 /nfs/dbraw/zinc/52/70/13/321527013.db2.gz KMAGJZICQFHKAV-SJORKVTESA-N 2 0 346.475 1.378 20 0 EDADRP Cc1nc(C)c(C)c(N2CCN(c3ncnc4c3cnn4C)CC2)n1 ZINC000301673195 444184751 /nfs/dbraw/zinc/18/47/51/444184751.db2.gz GGQQWLADWYEELK-UHFFFAOYSA-N 2 0 338.419 1.405 20 0 EDADRP CN(C)c1ncccc1O[C@@H]1CC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000296021688 444199774 /nfs/dbraw/zinc/19/97/74/444199774.db2.gz RGVRIGGTPYLTCH-RISCZKNCSA-N 2 0 333.354 1.914 20 0 EDADRP CN(C)c1ncccc1O[C@H]1CC[N@H+](C[C@@](C)(O)C(F)(F)F)C1 ZINC000296021691 444199796 /nfs/dbraw/zinc/19/97/96/444199796.db2.gz RGVRIGGTPYLTCH-SMDDNHRTSA-N 2 0 333.354 1.914 20 0 EDADRP COC(=O)CN1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)[C@@H]2C)CC1 ZINC000290152793 444248796 /nfs/dbraw/zinc/24/87/96/444248796.db2.gz LELUGUGHBPUBTG-VQIMIIECSA-N 2 0 345.487 1.876 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000576612110 321581820 /nfs/dbraw/zinc/58/18/20/321581820.db2.gz NXNZZOUDVOMRBG-QAPCUYQASA-N 2 0 340.512 1.117 20 0 EDADRP Cc1nccn1C[C@H]1CCCN1C(=O)[C@H]1CCn2c(C)ncc2C1 ZINC000290358404 444271382 /nfs/dbraw/zinc/27/13/82/444271382.db2.gz LIHSINPQULWDQV-JKSUJKDBSA-N 2 0 327.432 1.950 20 0 EDADRP CC(C)c1cc(N2CC[C@@H]([NH+](C)C)C2)nc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000302786351 444224133 /nfs/dbraw/zinc/22/41/33/444224133.db2.gz WDNVABJRFYRROU-CVEARBPZSA-N 2 0 346.523 1.881 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(c2cc[nH+]cc2C(N)=O)C1 ZINC000302848325 444227320 /nfs/dbraw/zinc/22/73/20/444227320.db2.gz HMAMBNBVYYAEIK-CYBMUJFWSA-N 2 0 345.472 1.904 20 0 EDADRP O=S(=O)(C[C@H](O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccs1 ZINC000305773959 444279782 /nfs/dbraw/zinc/27/97/82/444279782.db2.gz YDSVWAUGJDSBGY-MELADBBJSA-N 2 0 344.502 1.099 20 0 EDADRP OC1CCN(CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000305817924 444281888 /nfs/dbraw/zinc/28/18/88/444281888.db2.gz ANSITSPDNRAOQX-UHFFFAOYSA-N 3 0 337.430 1.840 20 0 EDADRP COc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc(OC)c1O ZINC000290456570 444283145 /nfs/dbraw/zinc/28/31/45/444283145.db2.gz TVPGNELURDYSJX-HNNXBMFYSA-N 2 0 338.448 1.736 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[NH+](Cc2ccccc2)CC1 ZINC000310312144 444291163 /nfs/dbraw/zinc/29/11/63/444291163.db2.gz WTJJVAXDIWEZGD-LJQANCHMSA-N 2 0 335.492 1.133 20 0 EDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000314791400 444302698 /nfs/dbraw/zinc/30/26/98/444302698.db2.gz KCNHWDAYTGQBQV-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@H]1CC[N@H+](CCc2cncn2C)[C@@H](C)[C@H]1[N-]C(=O)C(F)(F)F ZINC000297771155 444331868 /nfs/dbraw/zinc/33/18/68/444331868.db2.gz VOBXCPSFPBQAFS-GVXVVHGQSA-N 2 0 332.370 1.740 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)CCC[NH2+]1 ZINC000578624985 321804759 /nfs/dbraw/zinc/80/47/59/321804759.db2.gz FXWUPVQQMIVCTB-QAPCUYQASA-N 2 0 338.496 1.175 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)CN1CC[NH+](CC)CC1 ZINC000340549828 444435027 /nfs/dbraw/zinc/43/50/27/444435027.db2.gz IESFVIBKBXPBON-UHFFFAOYSA-N 2 0 326.529 1.450 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCN(S(C)(=O)=O)c3ccccc3C2)CC[NH2+]1 ZINC000580529182 322062087 /nfs/dbraw/zinc/06/20/87/322062087.db2.gz RNOJHVMATJKCEZ-CABCVRRESA-N 2 0 337.489 1.656 20 0 EDADRP [NH3+][C@@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000581188063 322146955 /nfs/dbraw/zinc/14/69/55/322146955.db2.gz NLTDRVWNQZBYIF-LJQANCHMSA-N 2 0 344.503 1.438 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000581189194 322147211 /nfs/dbraw/zinc/14/72/11/322147211.db2.gz AJRDNFWZCVDQFU-QZTJIDSGSA-N 2 0 330.476 1.313 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)COc2ccccc2F)CCCO1 ZINC000581247060 322153900 /nfs/dbraw/zinc/15/39/00/322153900.db2.gz OFAVPPFDLZBGBH-CVEARBPZSA-N 2 0 340.439 1.656 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000581372756 322170527 /nfs/dbraw/zinc/17/05/27/322170527.db2.gz WNNLDOWQMDSVIQ-UHFFFAOYSA-N 2 0 335.452 1.247 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000581424801 322175716 /nfs/dbraw/zinc/17/57/16/322175716.db2.gz IZZYAJQEPXJOSU-CEXWTWQISA-N 3 0 341.540 1.702 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000581940855 322235751 /nfs/dbraw/zinc/23/57/51/322235751.db2.gz DEZIDQOVOVKSBE-SUMWQHHRSA-N 2 0 344.459 1.320 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)CC(C)C ZINC000343765172 444574499 /nfs/dbraw/zinc/57/44/99/444574499.db2.gz BINGJSLHHYNDEV-NPYXIHBLSA-N 2 0 337.508 1.674 20 0 EDADRP C[C@@H]1CCCN1C(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342315574 444626249 /nfs/dbraw/zinc/62/62/49/444626249.db2.gz QJFFJQLHOHGZTN-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP [NH3+][C@H]1Cc2ccccc2N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000333288710 444653883 /nfs/dbraw/zinc/65/38/83/444653883.db2.gz OAVJZSXMOCVJDI-JKSUJKDBSA-N 2 0 325.416 1.338 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CC1 ZINC000333945760 444725587 /nfs/dbraw/zinc/72/55/87/444725587.db2.gz TZIMPYRUJYUPHA-SJORKVTESA-N 2 0 338.496 1.256 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000333600761 444684283 /nfs/dbraw/zinc/68/42/83/444684283.db2.gz WKGJMZJUAWKYQN-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP COC(=O)COc1ccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000341124267 444686222 /nfs/dbraw/zinc/68/62/22/444686222.db2.gz ASCYVDAOGKBZMM-QGZVFWFLSA-N 2 0 348.443 1.393 20 0 EDADRP COCCCn1nccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000338431535 444691349 /nfs/dbraw/zinc/69/13/49/444691349.db2.gz QBCGEMWLJHOQIJ-GOSISDBHSA-N 2 0 337.512 1.281 20 0 EDADRP COCCCn1nccc1CNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000338434397 444693361 /nfs/dbraw/zinc/69/33/61/444693361.db2.gz AZLNMIBIEYHRQI-QZTJIDSGSA-N 2 0 336.480 1.387 20 0 EDADRP Cc1cc(CS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)no1 ZINC000342564685 444746210 /nfs/dbraw/zinc/74/62/10/444746210.db2.gz ILSAONIRKBFEGS-UHFFFAOYSA-N 2 0 346.497 1.018 20 0 EDADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045022 444747383 /nfs/dbraw/zinc/74/73/83/444747383.db2.gz XZDDRONUELVXAK-MSOLQXFVSA-N 2 0 340.556 1.839 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000334081001 444773881 /nfs/dbraw/zinc/77/38/81/444773881.db2.gz JWRJIPDBJGGSSX-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCN4CCOCC4)C[C@@H]3C2)cc1 ZINC000336701112 444794573 /nfs/dbraw/zinc/79/45/73/444794573.db2.gz JUZJEHWWXMPVNL-PMACEKPBSA-N 2 0 329.488 1.773 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000341365069 444797342 /nfs/dbraw/zinc/79/73/42/444797342.db2.gz DQILLGNOKGBWLS-AWEZNQCLSA-N 2 0 337.468 1.161 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)COC2CCOCC2)C1 ZINC000336870226 444814467 /nfs/dbraw/zinc/81/44/67/444814467.db2.gz ICZTZUPXLWJEEJ-IAGOWNOFSA-N 2 0 326.481 1.207 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000341449626 444838645 /nfs/dbraw/zinc/83/86/45/444838645.db2.gz IBESTWYJZILDQS-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341561405 444895846 /nfs/dbraw/zinc/89/58/46/444895846.db2.gz SLBRTEIUMZMBPK-IYBDPMFKSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCCOC3)CC2)C1 ZINC000342915715 444939665 /nfs/dbraw/zinc/93/96/65/444939665.db2.gz GGLFEDYWWBXYAI-QZTJIDSGSA-N 2 0 325.497 1.140 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)cc2)CC1 ZINC000341769678 444992817 /nfs/dbraw/zinc/99/28/17/444992817.db2.gz MRRQEEOYRRJFSU-LPHOPBHVSA-N 2 0 344.503 1.960 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000344488190 445005505 /nfs/dbraw/zinc/00/55/05/445005505.db2.gz HXEHETQNQSZTLO-HOTGVXAUSA-N 2 0 325.497 1.616 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000339068233 445017124 /nfs/dbraw/zinc/01/71/24/445017124.db2.gz NDKDGATYJDTNOQ-QUCCMNQESA-N 3 0 343.519 1.810 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N(C)C[C@@H]2C[C@@H](OC)C[NH+]2C)C1 ZINC000344530151 445037787 /nfs/dbraw/zinc/03/77/87/445037787.db2.gz YDSGPLOQJGQCEX-OWCLPIDISA-N 2 0 326.485 1.079 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C[C@H]2CCCC[NH+]2C)CC1 ZINC000337340268 445039366 /nfs/dbraw/zinc/03/93/66/445039366.db2.gz SOAPJNWKMPAGLI-MSOLQXFVSA-N 2 0 336.524 1.489 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000343163369 445107803 /nfs/dbraw/zinc/10/78/03/445107803.db2.gz LFEWFKQDHQBQCD-SFHVURJKSA-N 2 0 334.508 1.101 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C[C@H]21 ZINC000342111835 445177254 /nfs/dbraw/zinc/17/72/54/445177254.db2.gz UOFDXDNBPNVEFY-FVQBIDKESA-N 2 0 330.432 1.784 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342116610 445180972 /nfs/dbraw/zinc/18/09/72/445180972.db2.gz YDBJQDAIWBAEHU-UAGQMJEPSA-N 2 0 331.460 1.713 20 0 EDADRP C[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC000345644032 445194176 /nfs/dbraw/zinc/19/41/76/445194176.db2.gz SJGILTBALTVDSZ-INIZCTEOSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193152 445233826 /nfs/dbraw/zinc/23/38/26/445233826.db2.gz JGGRWDWBDBUGBJ-DLBZAZTESA-N 2 0 337.508 1.556 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000343573847 445246799 /nfs/dbraw/zinc/24/67/99/445246799.db2.gz VXFLPPJYKIUUDL-SOLBZPMBSA-N 2 0 335.496 1.113 20 0 EDADRP C[C@H]([NH2+][C@@H]1COC[C@H]1n1ccnn1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348516168 445310802 /nfs/dbraw/zinc/31/08/02/445310802.db2.gz QANHKAZBLZYSDO-JCHJZTRSSA-N 2 0 341.459 1.718 20 0 EDADRP C[NH+](C)C1(CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)CCCCCC1 ZINC000354705107 445345957 /nfs/dbraw/zinc/34/59/57/445345957.db2.gz FPWYOJAPYKNDPY-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000351916252 445373800 /nfs/dbraw/zinc/37/38/00/445373800.db2.gz ARLWRGMWUFINMT-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000348822323 445402312 /nfs/dbraw/zinc/40/23/12/445402312.db2.gz ZGWSZFWBJJRMPK-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357078908 445412303 /nfs/dbraw/zinc/41/23/03/445412303.db2.gz KMMLDYKXMXPOPO-XJKSGUPXSA-N 2 0 344.459 1.434 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NC[C@H]1Cc2ccccc2O1 ZINC000357079202 445413265 /nfs/dbraw/zinc/41/32/65/445413265.db2.gz DAZMPMSELKQEGG-ZWKOTPCHSA-N 2 0 343.471 1.428 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)COc3ccc4c(c3)OCO4)CC[C@H]21 ZINC000359763315 445414305 /nfs/dbraw/zinc/41/43/05/445414305.db2.gz CDHRKTTVFVTVBH-BFYDXBDKSA-N 2 0 348.443 1.571 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)C2CCC2)C1 ZINC000357033642 445385928 /nfs/dbraw/zinc/38/59/28/445385928.db2.gz HMPGOCWHMZBKFN-WBVHZDCISA-N 2 0 325.497 1.580 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H](C[NH3+])C1CC1 ZINC000359899449 445479693 /nfs/dbraw/zinc/47/96/93/445479693.db2.gz NMGCOBMEWXYTAS-IBGZPJMESA-N 2 0 344.503 1.568 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@@H]23)CC1 ZINC000354957799 445436427 /nfs/dbraw/zinc/43/64/27/445436427.db2.gz GYSHBEZTIKKTFK-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564483 445441315 /nfs/dbraw/zinc/44/13/15/445441315.db2.gz LCOYQBNKMCVNCL-HUUCEWRRSA-N 2 0 333.480 1.871 20 0 EDADRP C[C@@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000362721596 445518190 /nfs/dbraw/zinc/51/81/90/445518190.db2.gz BQSFPAPLAGYTGI-ZJPYXAASSA-N 2 0 336.524 1.201 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@H](C)[C@H]([NH+](C)C)C2)CC1 ZINC000362665072 445486047 /nfs/dbraw/zinc/48/60/47/445486047.db2.gz COXYYTYRYAAAPA-GOEBONIOSA-N 2 0 340.512 1.467 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[C@@H]1CN1CCOCC1 ZINC000359919843 445488747 /nfs/dbraw/zinc/48/87/47/445488747.db2.gz WXRZGWPSQFSDDV-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccc2c(c1)oc(=O)n2C)N1CC[NH+](C)CC1 ZINC000352102323 445493568 /nfs/dbraw/zinc/49/35/68/445493568.db2.gz LRTYCLUJMUGOTO-QGZVFWFLSA-N 2 0 346.475 1.493 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](C)C(C)C)CC[N@@H+]1CCOC ZINC000360123108 445579589 /nfs/dbraw/zinc/57/95/89/445579589.db2.gz GDEIBVSGCRXLAN-DLBZAZTESA-N 2 0 342.528 1.857 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000362771527 445542225 /nfs/dbraw/zinc/54/22/25/445542225.db2.gz YSDIRPKHCJGGOU-WBVHZDCISA-N 2 0 333.480 1.004 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+](C)CC1 ZINC000358297533 445616361 /nfs/dbraw/zinc/61/63/61/445616361.db2.gz KXSWIFORQWRKOW-CABCVRRESA-N 2 0 340.537 1.740 20 0 EDADRP CN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000349644724 445632342 /nfs/dbraw/zinc/63/23/42/445632342.db2.gz LOPHNCOEUOEBLO-LJQANCHMSA-N 2 0 342.487 1.923 20 0 EDADRP Cn1c2ccc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cc2oc1=O ZINC000353506264 445633590 /nfs/dbraw/zinc/63/35/90/445633590.db2.gz XNWSBGLQFSAYRL-UHFFFAOYSA-N 2 0 332.448 1.201 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000353543341 445650563 /nfs/dbraw/zinc/65/05/63/445650563.db2.gz OWDBTYXBLCLUDX-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)OCC[C@@H](O)C[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349851566 445698860 /nfs/dbraw/zinc/69/88/60/445698860.db2.gz HPLUNODISZZKKD-SJLPKXTDSA-N 2 0 327.513 1.263 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@@H](C)[NH+]1C ZINC000358674303 445708064 /nfs/dbraw/zinc/70/80/64/445708064.db2.gz HOLCXNFDMNCLJA-QZTJIDSGSA-N 2 0 344.503 1.750 20 0 EDADRP CSC1(CNC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC[NH+](C)CC1 ZINC000360695739 445722843 /nfs/dbraw/zinc/72/28/43/445722843.db2.gz PUDLKYHZDABBHS-HUUCEWRRSA-N 2 0 342.553 1.795 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000356354226 445749209 /nfs/dbraw/zinc/74/92/09/445749209.db2.gz KLVBQAZCAMIPIW-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC[N@H+](C)CC3)cc2)CC1 ZINC000363296596 445755861 /nfs/dbraw/zinc/75/58/61/445755861.db2.gz BIMPHQRHZQWVBC-UHFFFAOYSA-N 2 0 330.476 1.606 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363304155 445758766 /nfs/dbraw/zinc/75/87/66/445758766.db2.gz ZQIACIXJHWINDO-QGZVFWFLSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000356378200 445759870 /nfs/dbraw/zinc/75/98/70/445759870.db2.gz YUSAOPUORGAOPH-ZWKOTPCHSA-N 2 0 344.503 1.798 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1ccc(F)cc1 ZINC000358773599 445768333 /nfs/dbraw/zinc/76/83/33/445768333.db2.gz JMTLRLKOGZGPAQ-QGZVFWFLSA-N 2 0 349.450 1.883 20 0 EDADRP C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[NH+]1CCCCCC1 ZINC000356483655 445815952 /nfs/dbraw/zinc/81/59/52/445815952.db2.gz UOXBKCDVIOBKOU-MRXNPFEDSA-N 2 0 348.491 1.903 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000356521439 445838623 /nfs/dbraw/zinc/83/86/23/445838623.db2.gz KHVDESOKVYKGJE-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361625745 445853922 /nfs/dbraw/zinc/85/39/22/445853922.db2.gz GLWRXAJAXIYIJI-UHFFFAOYSA-N 2 0 334.464 1.503 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3nnc(N(C)C)cc3C2)CC1 ZINC000369112085 445935359 /nfs/dbraw/zinc/93/53/59/445935359.db2.gz JWDJXUMASYBBOO-UHFFFAOYSA-N 2 0 346.523 1.317 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000350749795 445896580 /nfs/dbraw/zinc/89/65/80/445896580.db2.gz VZWPZFIFVNTVCL-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)C1(C)C ZINC000582359613 325829356 /nfs/dbraw/zinc/82/93/56/325829356.db2.gz XCVJIIXNJSYSER-CLCXKQKWSA-N 2 0 337.508 1.756 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000354178207 445974677 /nfs/dbraw/zinc/97/46/77/445974677.db2.gz JYKBFHAQCBRSHU-YESZJQIVSA-N 2 0 340.512 1.061 20 0 EDADRP COc1cccc(CN(C)C(=O)C[NH+]2CCC(CC[NH3+])CC2)c1OC ZINC000582791263 325929163 /nfs/dbraw/zinc/92/91/63/325929163.db2.gz SFDYPMUPUSERNB-UHFFFAOYSA-N 2 0 349.475 1.723 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccccc2C)C1 ZINC000582843522 325941397 /nfs/dbraw/zinc/94/13/97/325941397.db2.gz KJGDFMVKRUHKCM-AEFFLSMTSA-N 2 0 333.476 1.954 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000583206717 326026641 /nfs/dbraw/zinc/02/66/41/326026641.db2.gz HYPVUTMUZSOXOS-AWEZNQCLSA-N 2 0 333.480 1.796 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000583750896 326132869 /nfs/dbraw/zinc/13/28/69/326132869.db2.gz RZWHNMUJLBGYDO-DNVCBOLYSA-N 2 0 343.471 1.491 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cnc3n[nH]c(C)c3c2)CC1 ZINC000583975193 326175158 /nfs/dbraw/zinc/17/51/58/326175158.db2.gz IKQDTZSDMZNQKA-UHFFFAOYSA-N 2 0 330.480 1.772 20 0 EDADRP Cc1nc(-c2ccncc2)nc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1C ZINC000584034624 326186106 /nfs/dbraw/zinc/18/61/06/326186106.db2.gz WXEOKIIBZHKLNX-CALCHBBNSA-N 2 0 339.443 1.852 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000365219052 446084229 /nfs/dbraw/zinc/08/42/29/446084229.db2.gz JDHPIDXDUXRPRI-SFHVURJKSA-N 2 0 333.476 1.421 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CN2CCC[C@H]2CO1)c1ccc(-n2cnnn2)cc1 ZINC000366220845 446090044 /nfs/dbraw/zinc/09/00/44/446090044.db2.gz WCTSCGHLPFGFPT-JQFCIGGWSA-N 2 0 328.420 1.176 20 0 EDADRP O=C1C[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207267 446095985 /nfs/dbraw/zinc/09/59/85/446095985.db2.gz WGIWTAFPPJLQFX-LOWDOPEQSA-N 2 0 345.365 1.092 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000359262450 446098043 /nfs/dbraw/zinc/09/80/43/446098043.db2.gz MIYCHLWHKAKELU-HNNXBMFYSA-N 2 0 340.512 1.023 20 0 EDADRP COCCN(C)c1ccc(C[NH2+]C[C@H]2CCn3ccnc3C2)cn1 ZINC000369366882 446107273 /nfs/dbraw/zinc/10/72/73/446107273.db2.gz SWJYNHIYYRNUON-HNNXBMFYSA-N 2 0 329.448 1.713 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366283781 446126206 /nfs/dbraw/zinc/12/62/06/446126206.db2.gz PDVPJIWKDPJBDJ-HOTGVXAUSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366344179 446164722 /nfs/dbraw/zinc/16/47/22/446164722.db2.gz DODUAWQXAKYTRI-BXEXHWSDSA-N 2 0 335.492 1.524 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351568934 446165831 /nfs/dbraw/zinc/16/58/31/446165831.db2.gz SGPKDHKHVKKBQO-AWEZNQCLSA-N 2 0 327.494 1.757 20 0 EDADRP COCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000359381902 446186695 /nfs/dbraw/zinc/18/66/95/446186695.db2.gz SPIXDJOLZCGSHK-AWEZNQCLSA-N 2 0 343.493 1.214 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000366325414 446152269 /nfs/dbraw/zinc/15/22/69/446152269.db2.gz PYYRLNIUAUKHAN-KRWDZBQOSA-N 2 0 336.524 1.299 20 0 EDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000354455158 446216145 /nfs/dbraw/zinc/21/61/45/446216145.db2.gz CHPYKWAHHJFSAT-ZBFHGGJFSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c(=O)n1C ZINC000370533706 446321261 /nfs/dbraw/zinc/32/12/61/446321261.db2.gz ASLCWZHORNGWLL-JCGIZDLHSA-N 2 0 333.476 1.673 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417337828 446347496 /nfs/dbraw/zinc/34/74/96/446347496.db2.gz JFRHKBZNLMMQFF-YQQAZPJKSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417338909 446347700 /nfs/dbraw/zinc/34/77/00/446347700.db2.gz KVAARTMCUNUJIV-BZUAXINKSA-N 2 0 330.476 1.825 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000370573479 446337838 /nfs/dbraw/zinc/33/78/38/446337838.db2.gz FUWRFTFEGXAOLO-KZNAEPCWSA-N 2 0 339.524 1.576 20 0 EDADRP C[NH+]1CCC2(CCCN(C(=O)[C@H]3COCCN3CC3CCC3)C2)CC1 ZINC000374163739 446355508 /nfs/dbraw/zinc/35/55/08/446355508.db2.gz PWBNJAAEOFJTCG-GOSISDBHSA-N 2 0 349.519 1.822 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417503740 446356278 /nfs/dbraw/zinc/35/62/78/446356278.db2.gz MIXVHFCIDDCZPP-OALUTQOASA-N 2 0 344.503 1.850 20 0 EDADRP C[C@H]1CN(C(=O)NC2CCSCC2)CCN1C1CC[NH+](C)CC1 ZINC000376151965 446356750 /nfs/dbraw/zinc/35/67/50/446356750.db2.gz SPMKKKYPKURNEX-AWEZNQCLSA-N 2 0 340.537 1.692 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000417514281 446358997 /nfs/dbraw/zinc/35/89/97/446358997.db2.gz IZYUZEISZPQQHL-WMZOPIPTSA-N 2 0 348.491 1.686 20 0 EDADRP C[N@H+](C[C@H]1CC12CC[NH+](CCC(=O)N1CCOCC1)CC2)C1CC1 ZINC000374294626 446361013 /nfs/dbraw/zinc/36/10/13/446361013.db2.gz HMXRFNSLDVZIAQ-MRXNPFEDSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1[NH3+] ZINC000417527977 446361760 /nfs/dbraw/zinc/36/17/60/446361760.db2.gz OQEZBZKAOQBSLH-PBHICJAKSA-N 2 0 334.464 1.158 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)NCC[NH2+]C1CCCCCC1 ZINC000417534543 446362451 /nfs/dbraw/zinc/36/24/51/446362451.db2.gz ZHJJUMHLAVLZDU-OAHLLOKOSA-N 2 0 326.485 1.319 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CCNCC2(F)F)C1 ZINC000417891143 446376537 /nfs/dbraw/zinc/37/65/37/446376537.db2.gz QNVSZEHYHHMPIH-KGLIPLIRSA-N 2 0 332.439 1.508 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000370671619 446380091 /nfs/dbraw/zinc/38/00/91/446380091.db2.gz VKFVGQKNOCHTOP-ZJPYXAASSA-N 2 0 325.497 1.186 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417912894 446383859 /nfs/dbraw/zinc/38/38/59/446383859.db2.gz PETLMJGKOJTGCI-WMZOPIPTSA-N 2 0 340.512 1.422 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420287525 446452636 /nfs/dbraw/zinc/45/26/36/446452636.db2.gz IAJDKFJJAIWHEF-RYQLBKOJSA-N 2 0 332.492 1.465 20 0 EDADRP COc1cc2nc(N3C[C@@H](C)[C@](C)(C[NH3+])C3)nc(N)c2cc1OC ZINC000420278300 446446751 /nfs/dbraw/zinc/44/67/51/446446751.db2.gz ITXNURFOJKGSOM-BMLIUANNSA-N 2 0 331.420 1.650 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC1(N2CCOCC2)CCOCC1 ZINC000423172617 446446784 /nfs/dbraw/zinc/44/67/84/446446784.db2.gz UJMRRYUGIYHARA-MSOLQXFVSA-N 2 0 339.524 1.768 20 0 EDADRP CC[NH2+]CC1CCN(CC(=O)Nc2ccccc2C(=O)OC)CC1 ZINC000420282947 446449667 /nfs/dbraw/zinc/44/96/67/446449667.db2.gz BLSHGJIWEUTFEG-UHFFFAOYSA-N 2 0 333.432 1.733 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)CC1 ZINC000376254098 446401329 /nfs/dbraw/zinc/40/13/29/446401329.db2.gz JNSQGBTYDRTSFG-NVXWUHKLSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012125 446415312 /nfs/dbraw/zinc/41/53/12/446415312.db2.gz RTZJKABALPEISW-RYQLBKOJSA-N 2 0 330.476 1.887 20 0 EDADRP COCC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC[NH2+]C1 ZINC000370762760 446422148 /nfs/dbraw/zinc/42/21/48/446422148.db2.gz AOTIBHBXVIUFSW-YJBOKZPZSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)cc1 ZINC000370764712 446423674 /nfs/dbraw/zinc/42/36/74/446423674.db2.gz ZTFCEVJJUMLMBD-OALUTQOASA-N 2 0 345.487 1.979 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000370766823 446425758 /nfs/dbraw/zinc/42/57/58/446425758.db2.gz OTQYUNDJPQOSJI-GDBMZVCRSA-N 2 0 346.479 1.292 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376365722 446456523 /nfs/dbraw/zinc/45/65/23/446456523.db2.gz HCCCEWGICMILGO-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418229238 446467235 /nfs/dbraw/zinc/46/72/35/446467235.db2.gz CLXGYRBUTIBBTA-PVAVHDDUSA-N 2 0 340.512 1.643 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000418233891 446468607 /nfs/dbraw/zinc/46/86/07/446468607.db2.gz HNCLPOCODUXOKB-FUHWJXTLSA-N 2 0 340.512 1.565 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423313592 446485292 /nfs/dbraw/zinc/48/52/92/446485292.db2.gz WZIJFNQCERRXLE-WMLDXEAASA-N 2 0 337.489 1.627 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000420319625 446485933 /nfs/dbraw/zinc/48/59/33/446485933.db2.gz RUOZDCDUNIRBKJ-HAGHYFMRSA-N 2 0 325.456 1.344 20 0 EDADRP Cn1ccnc1[C@@H]1CCCN(CC(=O)Nc2ccccc2C(N)=O)C1 ZINC000376429566 446491475 /nfs/dbraw/zinc/49/14/75/446491475.db2.gz UTYRZVGCHFKHFS-CYBMUJFWSA-N 2 0 341.415 1.337 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CC[NH2+]CC1 ZINC000418314494 446495353 /nfs/dbraw/zinc/49/53/53/446495353.db2.gz XIPMCSGMBAJBCU-UHFFFAOYSA-N 2 0 340.418 1.790 20 0 EDADRP CC(C)[C@@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[C@@H](C)[NH3+] ZINC000423364567 446501288 /nfs/dbraw/zinc/50/12/88/446501288.db2.gz AVXLZKWFOORKKQ-MLGOLLRUSA-N 2 0 348.447 1.714 20 0 EDADRP CC[NH2+]CCNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418332113 446502567 /nfs/dbraw/zinc/50/25/67/446502567.db2.gz YRZFHRWDXNELCR-UHFFFAOYSA-N 2 0 332.492 1.946 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000418340497 446507202 /nfs/dbraw/zinc/50/72/02/446507202.db2.gz LLVTYXKSRALZIN-IAGOWNOFSA-N 3 0 341.544 1.290 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)CC[NH2+]CC1 ZINC000423389827 446514234 /nfs/dbraw/zinc/51/42/34/446514234.db2.gz OMFLLXGQFRBECJ-CQSZACIVSA-N 3 0 331.460 1.701 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418363044 446514696 /nfs/dbraw/zinc/51/46/96/446514696.db2.gz BWGYGJTUUMERFD-DETPVDSQSA-N 2 0 340.418 1.565 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)NCCC[NH2+]Cc3cccnc3)C2)C1 ZINC000418328446 446500316 /nfs/dbraw/zinc/50/03/16/446500316.db2.gz NXXASFRQADLRPD-LJQANCHMSA-N 2 0 345.491 1.689 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418328459 446500553 /nfs/dbraw/zinc/50/05/53/446500553.db2.gz NYKPDNNGWPCASN-UHFFFAOYSA-N 2 0 347.507 1.983 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H](OC)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423506440 446557880 /nfs/dbraw/zinc/55/78/80/446557880.db2.gz IZDUYJSTRMMTDQ-OKZBNKHCSA-N 2 0 333.476 1.862 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCC(C)(C)[NH+](C)C)ccc21 ZINC000453583679 446564291 /nfs/dbraw/zinc/56/42/91/446564291.db2.gz VUQLAEVMBIJJCF-MRXNPFEDSA-N 2 0 346.475 1.630 20 0 EDADRP [NH3+][C@H](CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000418495842 446564846 /nfs/dbraw/zinc/56/48/46/446564846.db2.gz GQFLAHXVUANMDA-QGZVFWFLSA-N 2 0 338.496 1.258 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418370574 446518332 /nfs/dbraw/zinc/51/83/32/446518332.db2.gz ORTZEAGHYDPBRO-QZTJIDSGSA-N 2 0 345.491 1.830 20 0 EDADRP Cc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346201 446518783 /nfs/dbraw/zinc/51/87/83/446518783.db2.gz XPXHBKHFSKRFTJ-OALUTQOASA-N 2 0 329.488 1.975 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(COC)CC[NH2+]C2)C1 ZINC000423410689 446521895 /nfs/dbraw/zinc/52/18/95/446521895.db2.gz SJOPZPFFQLUZIP-QAPCUYQASA-N 2 0 325.497 1.629 20 0 EDADRP Cc1ccc(NC(=O)COC2CC[NH2+]CC2)c(OCC[NH+](C)C)c1 ZINC000423422805 446529851 /nfs/dbraw/zinc/52/98/51/446529851.db2.gz ZAHYHYSHDUBCMH-UHFFFAOYSA-N 2 0 335.448 1.643 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418404619 446532502 /nfs/dbraw/zinc/53/25/02/446532502.db2.gz CXTFIAVZOXYQJK-RBEWDSDLSA-N 2 0 332.492 1.928 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CC3(C[NH3+])CC3)CC2)C[C@@H](C)O1 ZINC000423427306 446532694 /nfs/dbraw/zinc/53/26/94/446532694.db2.gz IPFHBZMVASJTGK-HZPDHXFCSA-N 2 0 337.508 1.853 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1CC ZINC000418416483 446536773 /nfs/dbraw/zinc/53/67/73/446536773.db2.gz UEWLCTJUKGBBMV-GVDBMIGSSA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000418418528 446537062 /nfs/dbraw/zinc/53/70/62/446537062.db2.gz XLZQPAHFWXQAFI-HZPDHXFCSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)Oc1cccc(F)c1 ZINC000433149460 446537130 /nfs/dbraw/zinc/53/71/30/446537130.db2.gz DGVNQDAALDAWTL-CQSZACIVSA-N 2 0 337.439 1.913 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000375048959 446542019 /nfs/dbraw/zinc/54/20/19/446542019.db2.gz KVXCEASNQWDBMO-WBVHZDCISA-N 2 0 331.460 1.793 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000418437656 446542645 /nfs/dbraw/zinc/54/26/45/446542645.db2.gz XJMQLLWWSJDHJL-JKSUJKDBSA-N 2 0 339.528 1.219 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCOCC3(CCOCC3)C2)cc1 ZINC000420363675 446543636 /nfs/dbraw/zinc/54/36/36/446543636.db2.gz BUZQXDVFOYVJPV-KRWDZBQOSA-N 2 0 334.460 1.867 20 0 EDADRP C[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)[NH+]1CCC(C)CC1 ZINC000433391040 446567982 /nfs/dbraw/zinc/56/79/82/446567982.db2.gz UGBOCRDKUGWDRT-LSDHHAIUSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418601197 446610528 /nfs/dbraw/zinc/61/05/28/446610528.db2.gz UEBLWKMWWIYBOI-OQIJWPOYSA-N 2 0 342.487 1.758 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCCCC[NH3+] ZINC000418517632 446576961 /nfs/dbraw/zinc/57/69/61/446576961.db2.gz ZPIXALNKBJHRLM-SFHVURJKSA-N 2 0 334.464 1.004 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418520861 446578232 /nfs/dbraw/zinc/57/82/32/446578232.db2.gz HYYVECXLCLNHFY-CEXWTWQISA-N 2 0 342.487 1.759 20 0 EDADRP CN(C(=O)NCC1=CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418535334 446583020 /nfs/dbraw/zinc/58/30/20/446583020.db2.gz DAAGUHVPFXQOJU-SFHVURJKSA-N 2 0 328.460 1.822 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418621632 446618893 /nfs/dbraw/zinc/61/88/93/446618893.db2.gz SYMOGHXICUUSAF-BHYGNILZSA-N 2 0 339.528 1.312 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418536771 446585500 /nfs/dbraw/zinc/58/55/00/446585500.db2.gz CFXJXPOJBKQPHA-HRCADAONSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)C[C@H]1C[NH3+] ZINC000420414075 446587858 /nfs/dbraw/zinc/58/78/58/446587858.db2.gz UHJKFRPLGJMNHJ-UONOGXRCSA-N 2 0 326.462 1.386 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N3CC[C@@H](C)[C@H](C[NH3+])C3)C2=O)c1 ZINC000420416913 446589922 /nfs/dbraw/zinc/58/99/22/446589922.db2.gz WBBRTKHELGDRSR-LBTNJELSSA-N 2 0 347.459 1.726 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC3CC[NH+](C4CC4)CC3)C2)CC1 ZINC000371055236 446601697 /nfs/dbraw/zinc/60/16/97/446601697.db2.gz OFKSDYIXOLBNLT-INIZCTEOSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@@H]1[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000433874402 446605884 /nfs/dbraw/zinc/60/58/84/446605884.db2.gz JOPQGPSZLMHGBJ-CZUORRHYSA-N 2 0 325.478 1.509 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418601113 446609262 /nfs/dbraw/zinc/60/92/62/446609262.db2.gz LKOJVHXIMVLAIG-AYBZRNKSSA-N 2 0 346.475 1.063 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000418684095 446647006 /nfs/dbraw/zinc/64/70/06/446647006.db2.gz KPWMFDZQEJAWBC-OKYOBFRVSA-N 2 0 342.487 1.868 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418681502 446647477 /nfs/dbraw/zinc/64/74/77/446647477.db2.gz HCBHEEWMBXIDKK-QAQDUYKDSA-N 2 0 341.544 1.276 20 0 EDADRP C[NH+]1CCC2(CCCN(c3cc(-n4cccn4)nc(N)[nH+]3)C2)CC1 ZINC000376681132 446647800 /nfs/dbraw/zinc/64/78/00/446647800.db2.gz PSFUDQZZJOJFCD-UHFFFAOYSA-N 2 0 327.436 1.557 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000418691236 446650784 /nfs/dbraw/zinc/65/07/84/446650784.db2.gz XZCZUJMURPSKDA-FGTMMUONSA-N 2 0 328.460 1.622 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418737682 446660186 /nfs/dbraw/zinc/66/01/86/446660186.db2.gz YKZPPQVZEAUIGA-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(C1CCN(CC(F)F)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376708867 446667011 /nfs/dbraw/zinc/66/70/11/446667011.db2.gz DUEZPJAFCFITJT-ARFHVFGLSA-N 2 0 341.446 1.906 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418750239 446669595 /nfs/dbraw/zinc/66/95/95/446669595.db2.gz NUCWJHCMFRVEPO-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)NC[C@@H]1CCCC[N@H+]1CCO ZINC000418646188 446630828 /nfs/dbraw/zinc/63/08/28/446630828.db2.gz WSACQPKLJIMQAF-WMZOPIPTSA-N 2 0 346.475 1.019 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000423755112 446685547 /nfs/dbraw/zinc/68/55/47/446685547.db2.gz DFXVBEZRGOFRSD-HNNXBMFYSA-N 2 0 327.469 1.237 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000418768164 446687186 /nfs/dbraw/zinc/68/71/86/446687186.db2.gz QWGQFSIBROHQNU-OAHLLOKOSA-N 2 0 338.402 1.509 20 0 EDADRP C[N@H+](C[C@H](O)Cn1cccn1)C1CCN(Cc2ccncc2)CC1 ZINC000371205100 446688312 /nfs/dbraw/zinc/68/83/12/446688312.db2.gz NUUWJWKSYKSEQR-SFHVURJKSA-N 2 0 329.448 1.235 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423763326 446692213 /nfs/dbraw/zinc/69/22/13/446692213.db2.gz VQUNORVZYFLAHM-HNNXBMFYSA-N 2 0 339.480 1.156 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)nn1 ZINC000375291982 446699372 /nfs/dbraw/zinc/69/93/72/446699372.db2.gz JFEJRASUZDBHIR-RHSMWYFYSA-N 2 0 349.479 1.697 20 0 EDADRP O=C(N1CCC[N@H+](CCCc2ccccc2)CC1)[C@]12C[C@H]1CC[NH2+]2 ZINC000423754972 446684262 /nfs/dbraw/zinc/68/42/62/446684262.db2.gz ZYODZIWUMLCAGI-QUCCMNQESA-N 2 0 327.472 1.906 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCc3nccn32)CC1 ZINC000368267630 446748547 /nfs/dbraw/zinc/74/85/47/446748547.db2.gz ZYGVPDFFUFWHPG-MRXNPFEDSA-N 2 0 333.480 1.150 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)COC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423902832 446754614 /nfs/dbraw/zinc/75/46/14/446754614.db2.gz MMGXVNBSINBXCK-WBVHZDCISA-N 2 0 331.460 1.392 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000368285989 446760270 /nfs/dbraw/zinc/76/02/70/446760270.db2.gz BSPFRHNPTCFSJB-UHFFFAOYSA-N 2 0 347.507 1.538 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418867559 446762183 /nfs/dbraw/zinc/76/21/83/446762183.db2.gz MCBSKOJANRFJAI-KRWDZBQOSA-N 2 0 346.475 1.041 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)C3(C[NH3+])CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000375400133 446774795 /nfs/dbraw/zinc/77/47/95/446774795.db2.gz LHHSIADRNIVCNY-FGTMMUONSA-N 2 0 343.471 1.503 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NC2CCC([NH3+])CC2)CCCCCC1 ZINC000418896278 446780489 /nfs/dbraw/zinc/78/04/89/446780489.db2.gz FJLUKLNJBADHKC-UHFFFAOYSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c2nccn21 ZINC000454220296 446812916 /nfs/dbraw/zinc/81/29/16/446812916.db2.gz DLZRVPLRLKURGQ-BYNSBNAKSA-N 2 0 335.452 1.687 20 0 EDADRP C[C@@H](CNC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2)[N@@H+]1CCCC[C@H]1C ZINC000454252425 446826633 /nfs/dbraw/zinc/82/66/33/446826633.db2.gz DHFIFDLDKVXVQM-TWMKSMIVSA-N 2 0 338.496 1.364 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000418934588 446808822 /nfs/dbraw/zinc/80/88/22/446808822.db2.gz JSZOXTCEUYQDAG-HOTGVXAUSA-N 2 0 338.496 1.145 20 0 EDADRP CCN(CCCNC(=O)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418994038 446852703 /nfs/dbraw/zinc/85/27/03/446852703.db2.gz AYIYBPJNZOECSO-JKSUJKDBSA-N 2 0 346.475 1.263 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)([NH+](C)C)C1 ZINC000424155203 446860228 /nfs/dbraw/zinc/86/02/28/446860228.db2.gz MLGADGJECJZLDN-VKJFTORMSA-N 2 0 348.495 1.443 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000424452489 446872735 /nfs/dbraw/zinc/87/27/35/446872735.db2.gz HQCNGBKJSJXWIW-QZTJIDSGSA-N 2 0 348.491 1.739 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)C1 ZINC000454539996 446906242 /nfs/dbraw/zinc/90/62/42/446906242.db2.gz JKJXCMLRZYUUQW-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000419128305 446939191 /nfs/dbraw/zinc/93/91/91/446939191.db2.gz AAJKXAGPZKZDQJ-RRFJBIMHSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC([NH2+]C)CC1)CC(C)C ZINC000419123984 446938256 /nfs/dbraw/zinc/93/82/56/446938256.db2.gz HWZHGRDICGUAPX-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420977353 446949872 /nfs/dbraw/zinc/94/98/72/446949872.db2.gz HVBMZNLQLMEFHL-DLBZAZTESA-N 2 0 338.540 1.782 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000419196010 447005444 /nfs/dbraw/zinc/00/54/44/447005444.db2.gz AFGDMOYJXRDOJE-HNNXBMFYSA-N 2 0 348.491 1.115 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCc2ccccc21 ZINC000372107985 447005793 /nfs/dbraw/zinc/00/57/93/447005793.db2.gz NCBSRPHLNITYAN-XLIONFOSSA-N 2 0 345.487 1.353 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OCC(N)=O ZINC000368615252 446982266 /nfs/dbraw/zinc/98/22/66/446982266.db2.gz POCQTFIFMLFDHG-BZUAXINKSA-N 2 0 347.459 1.522 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419172306 446987635 /nfs/dbraw/zinc/98/76/35/446987635.db2.gz QVUUYJQYDQPTBZ-ARFHVFGLSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000372095345 446998664 /nfs/dbraw/zinc/99/86/64/446998664.db2.gz MXNWMIQGXQWTIB-FXUDXRNXSA-N 2 0 341.521 1.087 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)C1 ZINC000372098756 447000704 /nfs/dbraw/zinc/00/07/04/447000704.db2.gz NCOZNFWADOKHCY-OWSLCNJRSA-N 2 0 334.508 1.146 20 0 EDADRP C[N@H+](C[C@@](C)(O)c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829850 447084973 /nfs/dbraw/zinc/08/49/73/447084973.db2.gz HTOBPVZIYBVDOP-WOJBJXKFSA-N 2 0 331.504 1.994 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCC[N@H+](C)C2CCCCC2)C1(C)C ZINC000444178866 447090516 /nfs/dbraw/zinc/09/05/16/447090516.db2.gz YLEWCYVVXWAGKT-MAUKXSAKSA-N 2 0 325.497 1.900 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000377374716 447097298 /nfs/dbraw/zinc/09/72/98/447097298.db2.gz ZBQXMEAUSJTLCP-RYQLBKOJSA-N 2 0 349.523 1.848 20 0 EDADRP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCc2c(ncn(C)c2=O)C1 ZINC000377485076 447155510 /nfs/dbraw/zinc/15/55/10/447155510.db2.gz OQFJINWSBOLBTE-UHFFFAOYSA-N 2 0 335.411 1.833 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419413608 447160643 /nfs/dbraw/zinc/16/06/43/447160643.db2.gz SFWDEJXFIYHXFB-UHFFFAOYSA-N 2 0 340.512 1.391 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000425437638 447160959 /nfs/dbraw/zinc/16/09/59/447160959.db2.gz BJTKEEJHIFIEAH-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CCCC[C@@H](C(=O)OC)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375893580 447127118 /nfs/dbraw/zinc/12/71/18/447127118.db2.gz ZZQQEIJNAHQZCJ-IRXDYDNUSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@@H](CNC(=O)N1CCCN(Cc2ccc(F)cc2)CC1)[NH+](C)C ZINC000455428711 447127796 /nfs/dbraw/zinc/12/77/96/447127796.db2.gz HCRXULUOTLISOR-HNNXBMFYSA-N 2 0 336.455 1.993 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425458178 447173391 /nfs/dbraw/zinc/17/33/91/447173391.db2.gz MBHPSERCOQIKPI-QGZVFWFLSA-N 2 0 338.540 1.735 20 0 EDADRP C[C@@H](CN1CCOCC1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425503254 447197513 /nfs/dbraw/zinc/19/75/13/447197513.db2.gz RSCRAEQKLKSLCT-YSIASYRMSA-N 2 0 329.488 1.913 20 0 EDADRP CSC1(C[NH2+]Cc2c(C)nn(C)c2N2CCC[N@H+](C)CC2)CC1 ZINC000377623169 447250607 /nfs/dbraw/zinc/25/06/07/447250607.db2.gz ZZOSCDZGRQQTEK-UHFFFAOYSA-N 2 0 337.537 1.856 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)[C@@H](C)C1)[NH+](C)C ZINC000413721466 447228360 /nfs/dbraw/zinc/22/83/60/447228360.db2.gz JNGQFVVEHHPKDZ-QXSJWSMHSA-N 2 0 340.512 1.115 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369046772 447285684 /nfs/dbraw/zinc/28/56/84/447285684.db2.gz IMONEYQHDYFPDX-IRXDYDNUSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000372803337 447292078 /nfs/dbraw/zinc/29/20/78/447292078.db2.gz CKUXUSWAVWDRRV-YQVWRLOYSA-N 2 0 331.460 1.563 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1)c1ccccc1 ZINC000372803340 447292149 /nfs/dbraw/zinc/29/21/49/447292149.db2.gz CKUXUSWAVWDRRV-ZHALLVOQSA-N 2 0 331.460 1.563 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000369027086 447272718 /nfs/dbraw/zinc/27/27/18/447272718.db2.gz LAMKVBGMWYUAJH-HOTGVXAUSA-N 2 0 326.485 1.268 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458813565 447481036 /nfs/dbraw/zinc/48/10/36/447481036.db2.gz MNRBNFXMZXMMAA-HOTGVXAUSA-N 2 0 328.501 1.253 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)ccc1C[NH+](C)C ZINC000415509604 447487669 /nfs/dbraw/zinc/48/76/69/447487669.db2.gz WXALWDUYLHDBLG-QGZVFWFLSA-N 2 0 348.491 1.827 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000426772702 447500809 /nfs/dbraw/zinc/50/08/09/447500809.db2.gz LECJJTRISHPLMD-MRXNPFEDSA-N 2 0 347.507 1.684 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419938011 447502135 /nfs/dbraw/zinc/50/21/35/447502135.db2.gz WMRJTBFWKMWRSL-HLLBOEOZSA-N 2 0 346.475 1.182 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000427322562 447580893 /nfs/dbraw/zinc/58/08/93/447580893.db2.gz UHERYDJJOIESAR-OAHLLOKOSA-N 2 0 325.497 1.772 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457529604 447587947 /nfs/dbraw/zinc/58/79/47/447587947.db2.gz RERMTUXNBDYMBJ-INIZCTEOSA-N 2 0 326.485 1.008 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015044 447530426 /nfs/dbraw/zinc/53/04/26/447530426.db2.gz VWDJGKGSVDGGKP-ONGXEEELSA-N 2 0 328.404 1.003 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)C2)CC1 ZINC000416009253 447530767 /nfs/dbraw/zinc/53/07/67/447530767.db2.gz OMXAWVXDZSKBHG-STQMWFEESA-N 2 0 336.402 1.639 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000396379031 447542455 /nfs/dbraw/zinc/54/24/55/447542455.db2.gz PJXMYIUBUCQTNY-MJGOQNOKSA-N 2 0 335.492 1.132 20 0 EDADRP CCn1cncc1CNc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000416428116 447598921 /nfs/dbraw/zinc/59/89/21/447598921.db2.gz PFXZYIISWFPXHV-UHFFFAOYSA-N 2 0 341.419 2.175 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000495852378 447607834 /nfs/dbraw/zinc/60/78/34/447607834.db2.gz WJDUFHUYVGEFPN-LSDHHAIUSA-N 2 0 327.469 1.383 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000420131322 447622947 /nfs/dbraw/zinc/62/29/47/447622947.db2.gz XEDQZBQEJJVVLP-INIZCTEOSA-N 2 0 340.512 1.201 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]1CCCC1 ZINC000416828298 447693792 /nfs/dbraw/zinc/69/37/92/447693792.db2.gz DOXYZEIJOFVYGA-HNNXBMFYSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000416852958 447696496 /nfs/dbraw/zinc/69/64/96/447696496.db2.gz SUKGXIKJQUPTPS-ZIAGYGMSSA-N 2 0 344.381 1.725 20 0 EDADRP CN(CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000495962054 447678839 /nfs/dbraw/zinc/67/88/39/447678839.db2.gz OFNRPIKDDHYBAV-WMZOPIPTSA-N 2 0 334.464 1.029 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)CN2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422631499 447679545 /nfs/dbraw/zinc/67/95/45/447679545.db2.gz FPNWOFXJRLTNAZ-YDHLFZDLSA-N 2 0 332.448 1.889 20 0 EDADRP C[C@@H]1C[C@@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@@H]1C[NH3+] ZINC000422634402 447681019 /nfs/dbraw/zinc/68/10/19/447681019.db2.gz JOKLVJDGTVIWLL-NFAWXSAZSA-N 2 0 332.448 1.419 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C[NH+]1CCCCC1 ZINC000457955689 447684464 /nfs/dbraw/zinc/68/44/64/447684464.db2.gz XWPDCQDJYLBHSX-ZACQAIPSSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000416808568 447688648 /nfs/dbraw/zinc/68/86/48/447688648.db2.gz IILCLRMVUKEDHL-WMZOPIPTSA-N 2 0 348.491 1.704 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)[C@@H]1SC ZINC000459597233 447717464 /nfs/dbraw/zinc/71/74/64/447717464.db2.gz VVHZGRUGDRUGIS-UXLLHSPISA-N 2 0 343.537 1.477 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417011327 447729525 /nfs/dbraw/zinc/72/95/25/447729525.db2.gz RNTXAMXOPPDOCK-HUUCEWRRSA-N 2 0 326.485 1.114 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422735585 447732699 /nfs/dbraw/zinc/73/26/99/447732699.db2.gz WFKVYKJDZORLAL-TZMCWYRMSA-N 2 0 340.265 1.896 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN(C)C2CCCC2)CC[NH2+]CC1 ZINC000422743093 447735179 /nfs/dbraw/zinc/73/51/79/447735179.db2.gz QXANFEUFEAGARS-HNNXBMFYSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755781 447740351 /nfs/dbraw/zinc/74/03/51/447740351.db2.gz HATOOXLTHGKUGH-DOMZBBRYSA-N 2 0 345.896 1.725 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422769653 447745080 /nfs/dbraw/zinc/74/50/80/447745080.db2.gz VWWBTRAMKQREFO-ZDUSSCGKSA-N 2 0 348.472 1.478 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000422790905 447750980 /nfs/dbraw/zinc/75/09/80/447750980.db2.gz UREKOCIAJCLWOQ-MSOLQXFVSA-N 2 0 333.476 1.912 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1C ZINC000459733024 447754375 /nfs/dbraw/zinc/75/43/75/447754375.db2.gz GEZSJZRRWJJKGX-MRXNPFEDSA-N 2 0 336.480 1.885 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1 ZINC000422816600 447757834 /nfs/dbraw/zinc/75/78/34/447757834.db2.gz AYNRYMQWURTLPR-IBGZPJMESA-N 2 0 347.503 1.811 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)C[C@H](C)[NH3+])CC2)cc1 ZINC000422818074 447758628 /nfs/dbraw/zinc/75/86/28/447758628.db2.gz FLIFKRXTNICVDN-LSDHHAIUSA-N 2 0 339.505 1.864 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N[C@@H](C)[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000422916930 447772455 /nfs/dbraw/zinc/77/24/55/447772455.db2.gz BYIHODFTFISSDL-AHIWAGSCSA-N 2 0 333.432 1.397 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000422920306 447773626 /nfs/dbraw/zinc/77/36/26/447773626.db2.gz MFUUERJGRZFXQO-MLHJIOFPSA-N 2 0 331.460 1.487 20 0 EDADRP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)c2ccccc21 ZINC000422930393 447775063 /nfs/dbraw/zinc/77/50/63/447775063.db2.gz UDEJNTPGONDMNI-IAGOWNOFSA-N 2 0 335.473 1.677 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000422975481 447785734 /nfs/dbraw/zinc/78/57/34/447785734.db2.gz GWXKKKONHQGLOC-RBUKOAKNSA-N 3 0 340.556 1.277 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000422986771 447787985 /nfs/dbraw/zinc/78/79/85/447787985.db2.gz HHTNZONYMBDFQW-CGTJXYLNSA-N 2 0 325.460 1.994 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000431023654 447789508 /nfs/dbraw/zinc/78/95/08/447789508.db2.gz MOOKYMJBDCKUBJ-SQNIBIBYSA-N 2 0 338.540 1.674 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CN(C2CC2)CCO1 ZINC000423029200 447793836 /nfs/dbraw/zinc/79/38/36/447793836.db2.gz RZOMBQFFJMGXNG-ILZDJORESA-N 2 0 343.471 1.695 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)C1 ZINC000489165887 447852059 /nfs/dbraw/zinc/85/20/59/447852059.db2.gz FODVHTZWZINZGU-LTIDMASMSA-N 2 0 338.496 1.079 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489573952 447864373 /nfs/dbraw/zinc/86/43/73/447864373.db2.gz QNVPVNZDGYVQEK-MPGHIAIKSA-N 2 0 334.508 1.985 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[NH+](C3CC3)C[C@@H]2C)C[C@@H](C)C1 ZINC000489574956 447864474 /nfs/dbraw/zinc/86/44/74/447864474.db2.gz TXYRIOCTCCULIF-OLEVXBPZSA-N 2 0 334.508 1.841 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000489326853 447854664 /nfs/dbraw/zinc/85/46/64/447854664.db2.gz KPOLEOCXRHTBML-DLBZAZTESA-N 2 0 325.497 1.578 20 0 EDADRP CC(C)[NH+](C)CC(=O)N(C)CC(C)(C)CNC(=O)C[N@@H+](C)C(C)C ZINC000478988183 447822360 /nfs/dbraw/zinc/82/23/60/447822360.db2.gz OGTMFVHBVSWFCZ-UHFFFAOYSA-N 2 0 342.528 1.268 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CCCC1 ZINC000490017682 447886259 /nfs/dbraw/zinc/88/62/59/447886259.db2.gz ZLKFSJJBDPCJBA-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000530702473 447943132 /nfs/dbraw/zinc/94/31/32/447943132.db2.gz NOVOCPZGGPJFDR-SOLBZPMBSA-N 2 0 337.508 1.676 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)CC1 ZINC000524403443 447929719 /nfs/dbraw/zinc/92/97/19/447929719.db2.gz VHQFCEHUTPURIL-UHFFFAOYSA-N 2 0 331.464 1.043 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497258890 448013971 /nfs/dbraw/zinc/01/39/71/448013971.db2.gz FLQDEAUNDPEVKR-CABCVRRESA-N 2 0 329.485 1.536 20 0 EDADRP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O)NC1CC[NH+](C2CC2)CC1 ZINC000576196041 447995591 /nfs/dbraw/zinc/99/55/91/447995591.db2.gz LWAWITWRJXRKKE-IPMKNSEASA-N 2 0 349.519 1.745 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000531007150 447999061 /nfs/dbraw/zinc/99/90/61/447999061.db2.gz AJNMFAGBVMAHMJ-GOEBONIOSA-N 2 0 328.526 1.453 20 0 EDADRP O=C(NCCCn1ccnc1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531046247 448007997 /nfs/dbraw/zinc/00/79/97/448007997.db2.gz WPCYHZYLSSTLEN-GOSISDBHSA-N 2 0 328.416 1.026 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000570428568 448012888 /nfs/dbraw/zinc/01/28/88/448012888.db2.gz CCSINDIKAQBVRU-MOPGFXCFSA-N 2 0 344.503 1.931 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576290987 448021072 /nfs/dbraw/zinc/02/10/72/448021072.db2.gz VXNZUFZRSGRKML-RTBURBONSA-N 2 0 345.487 1.472 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cnn(-c2ccccc2)c1 ZINC000531357107 448068863 /nfs/dbraw/zinc/06/88/63/448068863.db2.gz INIGAEWXEZCSIS-UHFFFAOYSA-N 2 0 343.475 1.367 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000576492713 448068919 /nfs/dbraw/zinc/06/89/19/448068919.db2.gz YNKGBPUIEDNRKC-IXDOHACOSA-N 2 0 338.496 1.148 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)[N@H+](C)C1 ZINC000501742042 448096029 /nfs/dbraw/zinc/09/60/29/448096029.db2.gz AAMWXXATCONZFM-FZKCQIBNSA-N 2 0 326.485 1.220 20 0 EDADRP COC(=O)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000526134414 448108167 /nfs/dbraw/zinc/10/81/67/448108167.db2.gz KIDDRYAWFNCXEW-UHFFFAOYSA-N 2 0 336.436 1.430 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000576704477 448120378 /nfs/dbraw/zinc/12/03/78/448120378.db2.gz UMQHGMARHBZZDJ-WOJBJXKFSA-N 2 0 330.520 1.564 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000526975561 448128749 /nfs/dbraw/zinc/12/87/49/448128749.db2.gz SJQCQMAXRUVZFA-AWEZNQCLSA-N 2 0 345.447 1.159 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000571295709 448129838 /nfs/dbraw/zinc/12/98/38/448129838.db2.gz XWZUMFJSWYRIEM-CYBMUJFWSA-N 2 0 332.448 1.117 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000527058442 448150090 /nfs/dbraw/zinc/15/00/90/448150090.db2.gz LOIYFOROAILLAL-HXUWFJFHSA-N 2 0 347.503 1.814 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000556919734 448172181 /nfs/dbraw/zinc/17/21/81/448172181.db2.gz HMMVULBNJJOKQK-MRXNPFEDSA-N 2 0 329.510 1.265 20 0 EDADRP CN(C[C@H](O)C[NH2+]CC1CCN(C(=O)c2ccccc2)CC1)C1CC1 ZINC000571754536 448199273 /nfs/dbraw/zinc/19/92/73/448199273.db2.gz OCYSEYYWLXNSHG-LJQANCHMSA-N 2 0 345.487 1.584 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH3+])C2)[C@H](C)C1 ZINC000577047285 448199593 /nfs/dbraw/zinc/19/95/93/448199593.db2.gz QNHRULFQXIPRBP-ZACQAIPSSA-N 2 0 340.512 1.504 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@H](N)c1cscn1 ZINC000582414554 448229761 /nfs/dbraw/zinc/22/97/61/448229761.db2.gz DSZMCHAGBIOZFB-XNRPHZJLSA-N 2 0 330.457 1.780 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)NC[C@H]1C[NH2+]CCCO1 ZINC000571864803 448220036 /nfs/dbraw/zinc/22/00/36/448220036.db2.gz WDXVKMGMUOJIMR-GOSISDBHSA-N 2 0 346.475 1.460 20 0 EDADRP CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272373 448303418 /nfs/dbraw/zinc/30/34/18/448303418.db2.gz CALRFIHJUPSFHZ-JKSUJKDBSA-N 2 0 339.480 1.239 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1C[C@H](C)O ZINC000515840060 448357021 /nfs/dbraw/zinc/35/70/21/448357021.db2.gz CWFHXOZHUUEYGW-LESCRADOSA-N 2 0 331.460 1.177 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)[NH+]2CCCC2)c1 ZINC000591418230 448357166 /nfs/dbraw/zinc/35/71/66/448357166.db2.gz UNESNPVCMWVXGT-FUHWJXTLSA-N 2 0 331.460 1.900 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000572394508 448367782 /nfs/dbraw/zinc/36/77/82/448367782.db2.gz FKLVIJUHCFVKJK-BRWVUGGUSA-N 2 0 327.513 1.168 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H](C)C(C)(C)C)C1 ZINC000532928151 448332958 /nfs/dbraw/zinc/33/29/58/448332958.db2.gz KVAPQQFIHZIYHP-HZPDHXFCSA-N 2 0 327.513 1.826 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])c1 ZINC000572601965 448419025 /nfs/dbraw/zinc/41/90/25/448419025.db2.gz COILDQZQTFTZQX-GJZGRUSLSA-N 2 0 348.491 1.387 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCN2CCOC[C@@H]2C)C1 ZINC000591573200 448393667 /nfs/dbraw/zinc/39/36/67/448393667.db2.gz KJDLTQVCZGRYKR-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCCc3c2cnn3-c2ncccn2)CC1 ZINC000583000690 448398788 /nfs/dbraw/zinc/39/87/88/448398788.db2.gz UORCIEOYLUMZDU-OAHLLOKOSA-N 2 0 342.447 1.086 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)Nc3ccc4c(c3)C[NH2+]C4)n2)CC1 ZINC000583192627 448426037 /nfs/dbraw/zinc/42/60/37/448426037.db2.gz SSPFVQVVEAKZSP-UHFFFAOYSA-N 2 0 340.431 2.397 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1)[C@H]1CCC[N@H+](C)C1 ZINC000566298721 448440056 /nfs/dbraw/zinc/44/00/56/448440056.db2.gz CSBBKVDNYUEKCG-UXLLHSPISA-N 2 0 344.459 1.529 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000566352288 448452137 /nfs/dbraw/zinc/45/21/37/448452137.db2.gz GIEPNCJSWIYEGQ-HNNXBMFYSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2conc2C(C)(C)[NH3+])C[C@H](C)O1 ZINC000516783978 448473584 /nfs/dbraw/zinc/47/35/84/448473584.db2.gz HJZDXBPPGHIGNH-BETUJISGSA-N 2 0 338.452 1.488 20 0 EDADRP Cc1cocc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000528321381 448486696 /nfs/dbraw/zinc/48/66/96/448486696.db2.gz YXMGLQNZDDOULU-UHFFFAOYSA-N 2 0 328.416 1.925 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccc(NC(C)=O)cc2)CC1 ZINC000578273663 448503686 /nfs/dbraw/zinc/50/36/86/448503686.db2.gz UPCSXKRYMVVITR-SFHVURJKSA-N 2 0 349.475 1.849 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[C@@H](C[NH3+])C1 ZINC000517225340 448556042 /nfs/dbraw/zinc/55/60/42/448556042.db2.gz DGBHXDGNMKLPHH-BZUAXINKSA-N 2 0 326.485 1.255 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000517240683 448560867 /nfs/dbraw/zinc/56/08/67/448560867.db2.gz KDPVUYOYVRRWMA-QGZVFWFLSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C)C(=O)Cc1nc(CN2CCC[C@H](n3ccnc3)C2)cs1 ZINC000591915720 448573527 /nfs/dbraw/zinc/57/35/27/448573527.db2.gz JIVHFOOOIGTCTM-AWEZNQCLSA-N 2 0 333.461 1.807 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000536638771 448535619 /nfs/dbraw/zinc/53/56/19/448535619.db2.gz BQQZBGYQBQOUSI-JFIYKMOQSA-N 2 0 330.476 1.845 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000584726106 448612523 /nfs/dbraw/zinc/61/25/23/448612523.db2.gz WPSNMUDZGFATTN-BLLLJJGKSA-N 2 0 340.855 1.356 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)NCCN2CC[NH+](C)C(C)(C)C2)C1 ZINC000517752875 448615944 /nfs/dbraw/zinc/61/59/44/448615944.db2.gz LJZAZKKECNHGBC-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3c(n2)CCC3)CC1 ZINC000578733820 448620689 /nfs/dbraw/zinc/62/06/89/448620689.db2.gz KZGMCGWNNICHFF-UHFFFAOYSA-N 2 0 330.476 1.460 20 0 EDADRP CC(C)c1nc(NC[C@H]2[NH2+]CCc3ccccc32)nc(N(C)C)n1 ZINC000517542557 448590474 /nfs/dbraw/zinc/59/04/74/448590474.db2.gz LEQKOEBIEQVPQR-OAHLLOKOSA-N 2 0 326.448 2.360 20 0 EDADRP CCOC[C@H]1CN(Cc2ccc(CN3CCOCC3)cc2)CCO1 ZINC000528733747 448650687 /nfs/dbraw/zinc/65/06/87/448650687.db2.gz WJFVIXBILXNGDD-LJQANCHMSA-N 2 0 334.460 1.756 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267763 448653866 /nfs/dbraw/zinc/65/38/66/448653866.db2.gz LKAQFRZULQBZSI-FCEWJHQRSA-N 2 0 335.492 1.510 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc2c(c1)nc(C)n2C1CC1 ZINC000573561738 448657807 /nfs/dbraw/zinc/65/78/07/448657807.db2.gz IMSJNVDJKMIYJG-ZDUSSCGKSA-N 2 0 330.388 1.186 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c(C)s1 ZINC000540148794 448632209 /nfs/dbraw/zinc/63/22/09/448632209.db2.gz DVTLLMKBVZZJHI-RISCZKNCSA-N 2 0 345.534 1.573 20 0 EDADRP NC(=O)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830837 448725801 /nfs/dbraw/zinc/72/58/01/448725801.db2.gz LFDRAPXYHGTXSF-DNVCBOLYSA-N 2 0 329.444 1.878 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000519161766 448748429 /nfs/dbraw/zinc/74/84/29/448748429.db2.gz NCPJXLFLUOUWCF-PMACEKPBSA-N 2 0 333.520 1.971 20 0 EDADRP CCCOc1ccc(OCCN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cc1 ZINC000567753805 448752209 /nfs/dbraw/zinc/75/22/09/448752209.db2.gz HVAVZSLJJWWUCQ-YOEHRIQHSA-N 2 0 333.432 1.098 20 0 EDADRP CC(C)c1ccc(OCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000519347399 448761032 /nfs/dbraw/zinc/76/10/32/448761032.db2.gz NDXYGUXUCZHHDG-SFHVURJKSA-N 2 0 335.492 1.387 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000574307541 448841875 /nfs/dbraw/zinc/84/18/75/448841875.db2.gz FGSHSYYOLMLQNM-NSHDSACASA-N 2 0 326.238 1.532 20 0 EDADRP CCc1nc(C)c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000579664705 448844058 /nfs/dbraw/zinc/84/40/58/448844058.db2.gz WZTXFFOJUSFQAA-UHFFFAOYSA-N 2 0 325.457 1.180 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000568458518 448872237 /nfs/dbraw/zinc/87/22/37/448872237.db2.gz JBENENXEPDWKJU-XIRDDKMYSA-N 2 0 340.512 1.392 20 0 EDADRP COC(=O)c1cn(C2CC[NH+](CCCC3CC[NH2+]CC3)CC2)nn1 ZINC000592495926 448863438 /nfs/dbraw/zinc/86/34/38/448863438.db2.gz XKYPXYAZPNUSJU-UHFFFAOYSA-N 2 0 335.452 1.481 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CC[NH2+]1 ZINC000579935156 448913533 /nfs/dbraw/zinc/91/35/33/448913533.db2.gz WKXCUYQWTPCILJ-CVEARBPZSA-N 2 0 346.475 1.411 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1CC[NH2+][C@@H]1C)[NH+]1CCCC1 ZINC000579945857 448917326 /nfs/dbraw/zinc/91/73/26/448917326.db2.gz UUPCAGVVGGYJLM-VYDXJSESSA-N 2 0 331.460 1.946 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000579948577 448919092 /nfs/dbraw/zinc/91/90/92/448919092.db2.gz MZSSTCGYHZCZCY-RTBURBONSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](CCCN3CCCC3=O)CC2)C[C@@H](C)O1 ZINC000588711922 448920210 /nfs/dbraw/zinc/92/02/10/448920210.db2.gz VDTLXCOZBBWBMQ-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC[NH2+]1 ZINC000569122378 448966578 /nfs/dbraw/zinc/96/65/78/448966578.db2.gz GQJKJJPHCNVIBA-KYJSFNMBSA-N 2 0 341.459 1.058 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2cccc3ccccc32)CC1 ZINC000569199119 448977161 /nfs/dbraw/zinc/97/71/61/448977161.db2.gz VLHQWOUBDCDWKA-IBGZPJMESA-N 2 0 327.472 1.580 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@H](C[NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000569367044 449014930 /nfs/dbraw/zinc/01/49/30/449014930.db2.gz XASGVNMSJXJHQK-ZWKOTPCHSA-N 2 0 333.476 1.688 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)ccn1 ZINC000530021871 449026260 /nfs/dbraw/zinc/02/62/60/449026260.db2.gz AFRCLJXBTAYQOT-QGZVFWFLSA-N 2 0 346.475 1.769 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592955067 449075161 /nfs/dbraw/zinc/07/51/61/449075161.db2.gz JKTPFZNYIPJBFR-HNNXBMFYSA-N 2 0 333.480 1.571 20 0 EDADRP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530221320 449085858 /nfs/dbraw/zinc/08/58/58/449085858.db2.gz DJWKCTJKZOYLIA-TVFCKZIOSA-N 2 0 329.444 1.560 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000522330339 449077930 /nfs/dbraw/zinc/07/79/30/449077930.db2.gz UHRPOESDGCQTKB-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592957919 449079582 /nfs/dbraw/zinc/07/95/82/449079582.db2.gz ROHCFOBLQZPLQZ-OAHLLOKOSA-N 2 0 347.507 1.913 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C2(CCCCC2)C1 ZINC000592960637 449084508 /nfs/dbraw/zinc/08/45/08/449084508.db2.gz AHMXVECPULXSEH-OAHLLOKOSA-N 2 0 345.491 1.810 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC(N)=O)cc2)[C@@H](C)C1 ZINC000604418250 449228034 /nfs/dbraw/zinc/22/80/34/449228034.db2.gz NMCIIYQAXZHBAA-LPHOPBHVSA-N 2 0 347.503 1.941 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000595929641 449260224 /nfs/dbraw/zinc/26/02/24/449260224.db2.gz ODQJQOYHRFPPCV-HNNXBMFYSA-N 2 0 348.516 1.246 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CCC[N@@H+]4CCCC[C@@H]34)c21 ZINC000595958608 449282664 /nfs/dbraw/zinc/28/26/64/449282664.db2.gz FQSTYERZMJXACS-BPUTZDHNSA-N 2 0 331.464 1.466 20 0 EDADRP COC(=O)[C@@]1(NCCn2ccnc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796403 449424792 /nfs/dbraw/zinc/42/47/92/449424792.db2.gz RIDKQRQUDVQJCM-LJQANCHMSA-N 2 0 342.443 1.681 20 0 EDADRP C[NH+](C)C1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000611704586 449388503 /nfs/dbraw/zinc/38/85/03/449388503.db2.gz GFBAOABVRVTJEX-UHFFFAOYSA-N 2 0 331.460 1.354 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000607241583 449590035 /nfs/dbraw/zinc/59/00/35/449590035.db2.gz HJZBGYICYXPDOC-IAGOWNOFSA-N 3 0 341.544 1.384 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000602534995 449657425 /nfs/dbraw/zinc/65/74/25/449657425.db2.gz WHSBNVRMBPMZLA-UHFFFAOYSA-N 2 0 348.491 1.840 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000601027540 449660761 /nfs/dbraw/zinc/66/07/61/449660761.db2.gz PNYYEWVICNHNDB-KRWDZBQOSA-N 2 0 331.460 1.729 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000612481700 449731026 /nfs/dbraw/zinc/73/10/26/449731026.db2.gz DVTMETVGWBGHDM-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@]1(NC(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877268 449922919 /nfs/dbraw/zinc/92/29/19/449922919.db2.gz RDAQALICLUQBPM-PKOBYXMFSA-N 2 0 330.476 1.950 20 0 EDADRP O=C(N[C@@H]1CC12CC[NH2+]CC2)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612964244 449960015 /nfs/dbraw/zinc/96/00/15/449960015.db2.gz OWUROKVPZAADSY-DLBZAZTESA-N 2 0 328.460 1.702 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340350 450054235 /nfs/dbraw/zinc/05/42/35/450054235.db2.gz RTJIDLKBTBVOLT-QRVBRYPASA-N 2 0 338.540 1.196 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H]3COc4ccccc4O3)C2)CC1 ZINC000610250277 450163743 /nfs/dbraw/zinc/16/37/43/450163743.db2.gz LZUCABGOKSLNSC-ROUUACIJSA-N 2 0 345.487 1.927 20 0 EDADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000618307373 450132121 /nfs/dbraw/zinc/13/21/21/450132121.db2.gz CEJZFJMYZXJZBR-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618553553 450242273 /nfs/dbraw/zinc/24/22/73/450242273.db2.gz JJZRWSTYBAIEIT-MAUKXSAKSA-N 2 0 330.476 1.827 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000625362903 450314083 /nfs/dbraw/zinc/31/40/83/450314083.db2.gz GCMWZWXFESLMSN-OKZBNKHCSA-N 2 0 331.460 1.169 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000619899842 450367319 /nfs/dbraw/zinc/36/73/19/450367319.db2.gz PRUXXHGSXZWKJZ-MJGOQNOKSA-N 2 0 331.460 1.224 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000619904861 450369912 /nfs/dbraw/zinc/36/99/12/450369912.db2.gz QYPVNIKDVMLHSA-CVEARBPZSA-N 2 0 325.522 1.804 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000616783033 450483942 /nfs/dbraw/zinc/48/39/42/450483942.db2.gz XXWKBVIDGFMJNJ-HOTGVXAUSA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+](C)[C@H](CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478874 450498004 /nfs/dbraw/zinc/49/80/04/450498004.db2.gz JISYPHKMMWZYKD-RTBURBONSA-N 2 0 345.487 1.737 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000623574877 450545630 /nfs/dbraw/zinc/54/56/30/450545630.db2.gz ZPFPGKQKJBANFX-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000627303252 450633795 /nfs/dbraw/zinc/63/37/95/450633795.db2.gz LQWMUFLHHVHVGY-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000631680830 450713085 /nfs/dbraw/zinc/71/30/85/450713085.db2.gz SSRYWDYRPBQBKI-UHFFFAOYSA-N 2 0 327.494 1.332 20 0 EDADRP COc1ccc(CC[NH2+]C[C@@H](O)C[NH+]2CCCC2)c(OC)c1OC ZINC000629558711 450734173 /nfs/dbraw/zinc/73/41/73/450734173.db2.gz GKPMYARIOOYMNB-OAHLLOKOSA-N 2 0 338.448 1.301 20 0 EDADRP O[C@@H](C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1)C[NH+]1CCCC1 ZINC000629567144 450739681 /nfs/dbraw/zinc/73/96/81/450739681.db2.gz WPAQVQXLMDRKHH-SFHVURJKSA-N 2 0 332.423 1.600 20 0 EDADRP CN(c1ccccc1C[N@H+](C)CCOCC[NH3+])C1CC[NH+](C)CC1 ZINC000629665852 450774728 /nfs/dbraw/zinc/77/47/28/450774728.db2.gz QFRYMNLLBJTNPO-UHFFFAOYSA-N 3 0 334.508 1.624 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631840273 450807973 /nfs/dbraw/zinc/80/79/73/450807973.db2.gz RBJSSNRHOCDUFW-BZUAXINKSA-N 2 0 348.466 1.389 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000631860055 450830617 /nfs/dbraw/zinc/83/06/17/450830617.db2.gz GYPPBEDPELGUCF-PKOBYXMFSA-N 2 0 344.503 1.451 20 0 EDADRP C[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000635266599 450795061 /nfs/dbraw/zinc/79/50/61/450795061.db2.gz PKRZVCFYNDBEOG-OWCLPIDISA-N 2 0 333.476 1.862 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631889399 450851034 /nfs/dbraw/zinc/85/10/34/450851034.db2.gz FMYTZKHAWSFXPN-UHFFFAOYSA-N 2 0 345.553 1.854 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631940295 450897492 /nfs/dbraw/zinc/89/74/92/450897492.db2.gz SNFDDEDNWVZKRH-HNNXBMFYSA-N 2 0 333.542 1.758 20 0 EDADRP C[C@@H](CNS(=O)(=O)CCC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000631940489 450897767 /nfs/dbraw/zinc/89/77/67/450897767.db2.gz YKXPUSRQUNBIHO-HNNXBMFYSA-N 2 0 327.494 1.378 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000631943024 450900556 /nfs/dbraw/zinc/90/05/56/450900556.db2.gz LFHCMYPGGNRJAD-HZPDHXFCSA-N 2 0 329.510 1.409 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000624616627 450926457 /nfs/dbraw/zinc/92/64/57/450926457.db2.gz HKFFSLOAISLYBE-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000635419914 450927185 /nfs/dbraw/zinc/92/71/85/450927185.db2.gz KGNOTNGYLBLMTB-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+](C)C[C@@H](Nc1nc(N)[nH+]c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000624641262 450936914 /nfs/dbraw/zinc/93/69/14/450936914.db2.gz NGWWCUQKROHDCT-SNVBAGLBSA-N 2 0 342.234 1.140 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(c2nc(N)[nH+]c3c2CCCC3)CC1 ZINC000624704533 450956544 /nfs/dbraw/zinc/95/65/44/450956544.db2.gz WYQHOJGOJZVZNC-UHFFFAOYSA-N 2 0 345.491 2.019 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCOCC1 ZINC000626921483 451004979 /nfs/dbraw/zinc/00/49/79/451004979.db2.gz LYGUVVZFGSZHRO-AWEZNQCLSA-N 2 0 336.436 1.224 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)c1 ZINC000626923301 451005888 /nfs/dbraw/zinc/00/58/88/451005888.db2.gz QMKALTNMJRVHFM-BMGDILEWSA-N 2 0 346.475 1.882 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000626934956 451017278 /nfs/dbraw/zinc/01/72/78/451017278.db2.gz SIEATVKABCNNQD-UHFFFAOYSA-N 2 0 334.464 1.099 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626936742 451018413 /nfs/dbraw/zinc/01/84/13/451018413.db2.gz LLSJDSHAYHYZEU-HZPDHXFCSA-N 2 0 340.512 1.552 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CC1 ZINC000626964902 451037699 /nfs/dbraw/zinc/03/76/99/451037699.db2.gz LLAYAVIIDMLDFD-AAEUAGOBSA-N 2 0 336.402 1.639 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000635550837 451046267 /nfs/dbraw/zinc/04/62/67/451046267.db2.gz JIFQCWRZXSSGSH-MRXNPFEDSA-N 2 0 334.508 1.147 20 0 EDADRP C[C@H](C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[NH+](C)C ZINC000635545665 451041250 /nfs/dbraw/zinc/04/12/50/451041250.db2.gz WBQSFDMDSAQBTH-OAHLLOKOSA-N 2 0 346.475 1.079 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000626969225 451041636 /nfs/dbraw/zinc/04/16/36/451041636.db2.gz RLYGKEZECMHURF-CEXWTWQISA-N 2 0 344.503 1.991 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000633865064 451052774 /nfs/dbraw/zinc/05/27/74/451052774.db2.gz BHARWPJTAUKPST-JKSUJKDBSA-N 2 0 339.528 1.183 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000627002982 451068559 /nfs/dbraw/zinc/06/85/59/451068559.db2.gz ZGZPVEYDLQGXPZ-YVSFHVDLSA-N 2 0 338.496 1.194 20 0 EDADRP C[C@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627010787 451074844 /nfs/dbraw/zinc/07/48/44/451074844.db2.gz SJJWQHDNGOTWHZ-WMZOPIPTSA-N 2 0 348.491 1.514 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011585 451075416 /nfs/dbraw/zinc/07/54/16/451075416.db2.gz DZCUGECSAVTRJY-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979219 451047645 /nfs/dbraw/zinc/04/76/45/451047645.db2.gz UIWIGHADQOFANS-QZTJIDSGSA-N 2 0 346.475 1.501 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC2(C[NH3+])CCOCC2)cc1 ZINC000627070325 451110483 /nfs/dbraw/zinc/11/04/83/451110483.db2.gz ABWLGNMZHXMEKF-INIZCTEOSA-N 2 0 334.464 1.617 20 0 EDADRP C[NH+](C)CC1(C(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000635631033 451119989 /nfs/dbraw/zinc/11/99/89/451119989.db2.gz PZPPVXZODWOCOE-IBGZPJMESA-N 2 0 331.460 1.081 20 0 EDADRP C[NH+](C)CC1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000635631958 451122035 /nfs/dbraw/zinc/12/20/35/451122035.db2.gz YGDKKEXBVLRURI-UHFFFAOYSA-N 2 0 345.487 1.601 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627150460 451149566 /nfs/dbraw/zinc/14/95/66/451149566.db2.gz LBZWIMIMTORUQC-UHFFFAOYSA-N 2 0 340.512 1.838 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC[N@@H+]1CCOC ZINC000627202070 451185037 /nfs/dbraw/zinc/18/50/37/451185037.db2.gz NDWKLFLXAANCTF-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635723182 451199018 /nfs/dbraw/zinc/19/90/18/451199018.db2.gz ZDIZTJOJMXAXOQ-BZUAXINKSA-N 2 0 325.497 1.674 20 0 EDADRP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000635734537 451206355 /nfs/dbraw/zinc/20/63/55/451206355.db2.gz ONBYVTLZTCTBHU-KBAYOESNSA-N 2 0 338.540 1.732 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2cc(N3CC[NH+](C)CC3)ccn2)CC[N@@H+]1C ZINC000634194303 451231466 /nfs/dbraw/zinc/23/14/66/451231466.db2.gz RYNODJWRCXTLAA-GJZGRUSLSA-N 2 0 331.464 1.502 20 0 EDADRP C[C@H](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000635795307 451244958 /nfs/dbraw/zinc/24/49/58/451244958.db2.gz RWKYMBYDDSICHB-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638085875 451250966 /nfs/dbraw/zinc/25/09/66/451250966.db2.gz UPKJJYHGFKCDSN-QGZVFWFLSA-N 2 0 346.519 1.826 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CN1CC[NH2+]CC1 ZINC000638086969 451251237 /nfs/dbraw/zinc/25/12/37/451251237.db2.gz YGIJPLRBIONSRH-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@H+]2C[C@](C)(CO)[C@](C)(CO)C2)cc1 ZINC000628453898 451254928 /nfs/dbraw/zinc/25/49/28/451254928.db2.gz NYKNAEDONQXJRV-KDURUIRLSA-N 2 0 336.476 1.440 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000634269522 451260189 /nfs/dbraw/zinc/26/01/89/451260189.db2.gz HYXVLSAAXCBFGX-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638103478 451269967 /nfs/dbraw/zinc/26/99/67/451269967.db2.gz OTBSNQPJGLJTHA-KPFFTGBYSA-N 2 0 345.487 1.911 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638104427 451272227 /nfs/dbraw/zinc/27/22/27/451272227.db2.gz ZQCGKEXMFRPGGM-PBHICJAKSA-N 2 0 339.443 1.718 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000638110596 451278413 /nfs/dbraw/zinc/27/84/13/451278413.db2.gz GTBYCLLCNYXRSW-SJLPKXTDSA-N 2 0 333.476 1.659 20 0 EDADRP O=C(NCc1ccnc(N2CCSCC2)c1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000634303939 451287513 /nfs/dbraw/zinc/28/75/13/451287513.db2.gz NMDBJMQWMJBLOH-INIZCTEOSA-N 2 0 346.500 1.878 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000638116013 451284962 /nfs/dbraw/zinc/28/49/62/451284962.db2.gz BZUIZGHBKKMVTL-ZIFCJYIRSA-N 2 0 331.460 1.534 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnc(C[NH3+])nc1)c1ccc(Cl)cc1 ZINC000638134813 451306774 /nfs/dbraw/zinc/30/67/74/451306774.db2.gz QDJQYJOHLLRZSW-CQSZACIVSA-N 2 0 333.823 1.621 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@]3(C[NH3+])CCCOC3)cc2)CC1 ZINC000638137456 451310589 /nfs/dbraw/zinc/31/05/89/451310589.db2.gz VNGDOBQQMSLKOJ-IBGZPJMESA-N 2 0 346.475 1.128 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CCC2C[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000638137790 451313231 /nfs/dbraw/zinc/31/32/31/451313231.db2.gz NVSNNEJBNLOSII-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000638139149 451315254 /nfs/dbraw/zinc/31/52/54/451315254.db2.gz JDHIDAFRVUZQJB-OAHLLOKOSA-N 2 0 334.464 1.249 20 0 EDADRP [NH3+][C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1)C1CC1 ZINC000638155708 451325959 /nfs/dbraw/zinc/32/59/59/451325959.db2.gz XWUQJRWFRSOQGT-IPMKNSEASA-N 2 0 327.472 1.998 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200086 451351232 /nfs/dbraw/zinc/35/12/32/451351232.db2.gz NTWGPRSTXLQWOB-ZIAGYGMSSA-N 2 0 345.447 1.303 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000635948117 451388890 /nfs/dbraw/zinc/38/88/90/451388890.db2.gz HYEZWPKAUNLHQA-OAHLLOKOSA-N 2 0 325.497 1.676 20 0 EDADRP O=C(C[C@@H](n1ccnc1)C(F)(F)F)N[C@@H]1CCc2cncn2C1 ZINC000635919287 451363023 /nfs/dbraw/zinc/36/30/23/451363023.db2.gz ZELNITLBROELBD-ZYHUDNBSSA-N 2 0 327.310 1.704 20 0 EDADRP CN(C(=O)c1cnc(C[NH3+])nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638272367 451392541 /nfs/dbraw/zinc/39/25/41/451392541.db2.gz MNLSXIHCTVQMQV-MRXNPFEDSA-N 2 0 325.416 1.282 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638288029 451404001 /nfs/dbraw/zinc/40/40/01/451404001.db2.gz YVHOGVHVJSLKFA-KBAYOESNSA-N 2 0 332.492 1.244 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000640569702 451414990 /nfs/dbraw/zinc/41/49/90/451414990.db2.gz UMSAKDAPPKAUHD-UHFFFAOYSA-N 2 0 348.495 1.291 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000638350553 451451498 /nfs/dbraw/zinc/45/14/98/451451498.db2.gz LGNQVYLPDQQDLV-NVXWUHKLSA-N 2 0 325.412 1.482 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC([C@H]2[NH2+]CC2(C)C)CC1 ZINC000638353785 451455085 /nfs/dbraw/zinc/45/50/85/451455085.db2.gz TUDSRXKHQPYIBN-MRXNPFEDSA-N 2 0 337.508 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc2ncccn2n1 ZINC000630878975 451457801 /nfs/dbraw/zinc/45/78/01/451457801.db2.gz CUJATGVVFHFGDZ-HNNXBMFYSA-N 2 0 344.463 1.217 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000638383681 451476266 /nfs/dbraw/zinc/47/62/66/451476266.db2.gz JAGUYJKXXVBMOW-MVJTYMMSSA-N 2 0 347.459 1.440 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000638402397 451491394 /nfs/dbraw/zinc/49/13/94/451491394.db2.gz LTPSIAVKQLUAIQ-NVXWUHKLSA-N 2 0 333.476 1.802 20 0 EDADRP CN(CC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nccs1 ZINC000638343104 451446365 /nfs/dbraw/zinc/44/63/65/451446365.db2.gz LBHUJDGVCZPBOG-HZPDHXFCSA-N 2 0 344.484 1.776 20 0 EDADRP CN(CC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000638342889 451446936 /nfs/dbraw/zinc/44/69/36/451446936.db2.gz IZHAVAIDEDJUGT-RBUKOAKNSA-N 2 0 338.455 1.714 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000634724284 451505390 /nfs/dbraw/zinc/50/53/90/451505390.db2.gz NGDSPMUNJJWCCJ-RLLQIKCJSA-N 2 0 347.503 1.037 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000638424122 451507195 /nfs/dbraw/zinc/50/71/95/451507195.db2.gz IAMCFHXSISTDKP-GOSISDBHSA-N 2 0 343.471 1.244 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@H+](CC4CC4)C3)cn2)CC1 ZINC000636814681 451529516 /nfs/dbraw/zinc/52/95/16/451529516.db2.gz GSRJDXCTBVKAJY-HNNXBMFYSA-N 2 0 346.479 1.756 20 0 EDADRP c1cn(CCC[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)cn1 ZINC000631030190 451541551 /nfs/dbraw/zinc/54/15/51/451541551.db2.gz MKILPPZCOUTQNG-UHFFFAOYSA-N 2 0 344.459 1.774 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000636156777 451552933 /nfs/dbraw/zinc/55/29/33/451552933.db2.gz DEQDLTXCYXHLPQ-UHFFFAOYSA-N 2 0 349.519 1.870 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCOCC1 ZINC000638539516 451568259 /nfs/dbraw/zinc/56/82/59/451568259.db2.gz BFFXSONRKPQKEZ-KRWDZBQOSA-N 2 0 331.460 1.665 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638560157 451576836 /nfs/dbraw/zinc/57/68/36/451576836.db2.gz CZZRXNOCZAACGO-OBJOEFQTSA-N 2 0 337.386 1.131 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC(C)([NH+]3CCOCC3)CC2)c1 ZINC000638601471 451599544 /nfs/dbraw/zinc/59/95/44/451599544.db2.gz DMVQHGHMMPKCKR-KRWDZBQOSA-N 2 0 347.459 1.408 20 0 EDADRP C[N@H+](CC(=O)N(CCN1CCOCC1)CC1CC1)CC(C)(C)C ZINC000636225167 451601935 /nfs/dbraw/zinc/60/19/35/451601935.db2.gz SYPHTIPKDXHKIA-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631169433 451621195 /nfs/dbraw/zinc/62/11/95/451621195.db2.gz RWUKJXHCWNALTA-KDURUIRLSA-N 2 0 347.503 1.827 20 0 EDADRP CO[C@H](C)c1noc(CN2CCCN(CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993536 451640018 /nfs/dbraw/zinc/64/00/18/451640018.db2.gz XPDSHCILWSCORD-TUBUQKNSSA-N 2 0 335.452 1.037 20 0 EDADRP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)C[C@H]1C[NH3+] ZINC000634998321 451641232 /nfs/dbraw/zinc/64/12/32/451641232.db2.gz DEOJBOWCFILPCR-TZMCWYRMSA-N 2 0 328.416 1.875 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)[C@]12CCCO2 ZINC000638670002 451642474 /nfs/dbraw/zinc/64/24/74/451642474.db2.gz YXKNTFSWFXJXJM-NXWXRZEISA-N 2 0 338.492 1.804 20 0 EDADRP CN(CCOCC[NH3+])C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000638674815 451645537 /nfs/dbraw/zinc/64/55/37/451645537.db2.gz NWXCTINDQRITRQ-UHFFFAOYSA-N 2 0 333.476 1.722 20 0 EDADRP CN(CCOCC[NH3+])C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638674947 451646338 /nfs/dbraw/zinc/64/63/38/451646338.db2.gz NTOLMRBBYPAFJL-UHFFFAOYSA-N 2 0 348.491 1.023 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635021346 451658613 /nfs/dbraw/zinc/65/86/13/451658613.db2.gz NYLNPSISYOTBMH-ZANVPECISA-N 2 0 328.342 1.894 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@@H](C[NH3+])[C@H](C)C3)c2)CC1 ZINC000632934741 451659348 /nfs/dbraw/zinc/65/93/48/451659348.db2.gz VCTAAGHCGOBQJN-HZPDHXFCSA-N 2 0 345.491 1.887 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2)CC1 ZINC000632933241 451659358 /nfs/dbraw/zinc/65/93/58/451659358.db2.gz HWRZMAXBKBMXOP-CALCHBBNSA-N 2 0 343.475 1.797 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779273 451687792 /nfs/dbraw/zinc/68/77/92/451687792.db2.gz JDDHHYQTWMNBEX-MHORFTMASA-N 2 0 335.492 1.524 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638800640 451694823 /nfs/dbraw/zinc/69/48/23/451694823.db2.gz OBJCKFHJBAWNHR-ICSRJNTNSA-N 2 0 345.487 1.783 20 0 EDADRP [NH3+][C@@H](CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)Cc1ccccc1 ZINC000638883191 451718763 /nfs/dbraw/zinc/71/87/63/451718763.db2.gz XNQRPNXTRNGNFV-ROUUACIJSA-N 2 0 341.459 1.498 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000638847093 451709222 /nfs/dbraw/zinc/70/92/22/451709222.db2.gz KUCUQSIRGIGRFZ-GOSISDBHSA-N 2 0 325.412 1.657 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000641042150 451740097 /nfs/dbraw/zinc/74/00/97/451740097.db2.gz GUMCHOGFGJULOL-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)COC3CCC([NH3+])CC3)cn2)CC1 ZINC000638976609 451744112 /nfs/dbraw/zinc/74/41/12/451744112.db2.gz ATBBDKMLQKYUHV-UHFFFAOYSA-N 2 0 335.452 1.375 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000641072486 451745033 /nfs/dbraw/zinc/74/50/33/451745033.db2.gz JTWGUNQDHGNVAS-MRXNPFEDSA-N 3 0 327.517 1.044 20 0 EDADRP O=C(CCCc1cccnc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986100 451746678 /nfs/dbraw/zinc/74/66/78/451746678.db2.gz UTSYAPASLWQPSP-UHFFFAOYSA-N 2 0 325.416 1.848 20 0 EDADRP CCCNC(=O)CCCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986639 451747365 /nfs/dbraw/zinc/74/73/65/451747365.db2.gz WJRCVYUMJNQLMT-UHFFFAOYSA-N 2 0 333.436 1.126 20 0 EDADRP CO[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638986249 451747380 /nfs/dbraw/zinc/74/73/80/451747380.db2.gz YCSVXBBZCRWIHD-KRWDZBQOSA-N 2 0 326.400 1.817 20 0 EDADRP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000638987684 451747939 /nfs/dbraw/zinc/74/79/39/451747939.db2.gz WIYKVOUZDPZRDC-CABCVRRESA-N 3 0 331.464 1.456 20 0 EDADRP Cc1cc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)on1 ZINC000639169646 451783818 /nfs/dbraw/zinc/78/38/18/451783818.db2.gz MHNZLELTSQSWSI-UHFFFAOYSA-N 2 0 334.464 1.797 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NCC[NH2+]C1CC1 ZINC000637328570 451790610 /nfs/dbraw/zinc/79/06/10/451790610.db2.gz ALSVQYIGRZACFG-UHFFFAOYSA-N 2 0 340.418 1.790 20 0 EDADRP O=C(C[NH2+][C@@H]1CCc2cccnc2CC1)NCC[NH+]1CCCCCC1 ZINC000639207133 451792053 /nfs/dbraw/zinc/79/20/53/451792053.db2.gz WNYKWPZVSJIDAI-GOSISDBHSA-N 2 0 344.503 1.911 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000639304534 451816436 /nfs/dbraw/zinc/81/64/36/451816436.db2.gz WCBGGVIGKBUPFP-NVXWUHKLSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)Cc3ccccc3)ccn2)CC1 ZINC000644523043 451840644 /nfs/dbraw/zinc/84/06/44/451840644.db2.gz AHVCTJMSDLQDJV-LJQANCHMSA-N 2 0 340.471 1.527 20 0 EDADRP CO[C@@H]1C[C@@H](c2ncc[nH]2)N(C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000644510001 451829352 /nfs/dbraw/zinc/82/93/52/451829352.db2.gz MVQPIGAIGGCJNS-CABCVRRESA-N 2 0 340.387 1.729 20 0 EDADRP O=C([C@H]1CCc2cncn2C1)N1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000649209203 451905711 /nfs/dbraw/zinc/90/57/11/451905711.db2.gz GVZFAFJJJWSECD-DOTOQJQBSA-N 2 0 332.448 1.159 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc[nH]c1=O ZINC000637522590 451922829 /nfs/dbraw/zinc/92/28/29/451922829.db2.gz GVUDZGNUMPKDQK-MRXNPFEDSA-N 2 0 349.479 1.345 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000649280828 451952018 /nfs/dbraw/zinc/95/20/18/451952018.db2.gz OENXHYXKMMIGOL-PMOLBWCYSA-N 2 0 335.451 1.949 20 0 EDADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1CC[NH+](CC2CCCCC2)CC1 ZINC000649286005 451961016 /nfs/dbraw/zinc/96/10/16/451961016.db2.gz IVJOLGXXAPSKSI-OAHLLOKOSA-N 2 0 329.435 1.956 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000649293398 451968712 /nfs/dbraw/zinc/96/87/12/451968712.db2.gz RLOGXOSCDPQZPZ-UONOGXRCSA-N 2 0 329.366 1.789 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651625434 451971165 /nfs/dbraw/zinc/97/11/65/451971165.db2.gz CYAHPHUQDYLYAJ-UHFFFAOYSA-N 2 0 330.432 1.718 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649305513 451981362 /nfs/dbraw/zinc/98/13/62/451981362.db2.gz UXPHFUJELATORD-ROUUACIJSA-N 2 0 331.460 1.251 20 0 EDADRP COCCN(C)C[C@@H](O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653492965 451981712 /nfs/dbraw/zinc/98/17/12/451981712.db2.gz FLNUKVMOORFZDE-LJQANCHMSA-N 2 0 341.540 1.514 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649313004 451991750 /nfs/dbraw/zinc/99/17/50/451991750.db2.gz WETUYYNODFBPNM-OIISXLGYSA-N 2 0 331.485 1.967 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681950 452020804 /nfs/dbraw/zinc/02/08/04/452020804.db2.gz AZNFAAQJGHPIMX-KRWDZBQOSA-N 2 0 335.448 1.150 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342657 452022851 /nfs/dbraw/zinc/02/28/51/452022851.db2.gz HDOMSPGECIZNNJ-JKSUJKDBSA-N 2 0 337.414 1.964 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000649343466 452025166 /nfs/dbraw/zinc/02/51/66/452025166.db2.gz ABWWJSNJGNVFJG-BEFAXECRSA-N 2 0 345.487 1.635 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1(C)C[NH2+]C1 ZINC000649345392 452025713 /nfs/dbraw/zinc/02/57/13/452025713.db2.gz YXNHHZDPJFOCCP-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649345709 452025907 /nfs/dbraw/zinc/02/59/07/452025907.db2.gz LSBROGBIBFNFSJ-DNVCBOLYSA-N 2 0 346.475 1.379 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649346626 452028714 /nfs/dbraw/zinc/02/87/14/452028714.db2.gz WRFUHAWZWQWXFT-CQSZACIVSA-N 2 0 333.423 1.237 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])cn2)CC1 ZINC000649350266 452033856 /nfs/dbraw/zinc/03/38/56/452033856.db2.gz XDORWSBBCHMFDL-DLBZAZTESA-N 2 0 345.491 1.215 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[C@H]1[NH3+] ZINC000649358725 452040298 /nfs/dbraw/zinc/04/02/98/452040298.db2.gz ANJUEASMZLNMFI-IEBWSBKVSA-N 2 0 344.503 1.633 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000649379028 452052273 /nfs/dbraw/zinc/05/22/73/452052273.db2.gz CDKQFYBZPFGYTG-ZACQAIPSSA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+](CC)CCNS(=O)(=O)c1ccc(C2=CC[NH2+]CC2)cc1 ZINC000649443262 452085441 /nfs/dbraw/zinc/08/54/41/452085441.db2.gz XYIPSMNXICNNNA-UHFFFAOYSA-N 2 0 337.489 1.683 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)C1 ZINC000637797522 452087686 /nfs/dbraw/zinc/08/76/86/452087686.db2.gz OTKLFUSKSVUPHZ-GGPKGHCWSA-N 2 0 343.471 1.475 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637802078 452090844 /nfs/dbraw/zinc/09/08/44/452090844.db2.gz OZMZHJQABZODQA-WSTZPKSXSA-N 2 0 343.471 1.345 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000637808227 452094032 /nfs/dbraw/zinc/09/40/32/452094032.db2.gz AEPUQLJOZXDLNS-QGZVFWFLSA-N 2 0 326.444 1.804 20 0 EDADRP C[C@@H]1CC[C@H](O)C[NH+]1Cc1cncc(C[N@H+]2C[C@@H](O)CC[C@H]2C)c1 ZINC000643254790 452099228 /nfs/dbraw/zinc/09/92/28/452099228.db2.gz FQCMCHQYASUMGU-LTDCPUDJSA-N 2 0 333.476 1.772 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@@H](O)COCc2cccs2)C1 ZINC000639764518 452105848 /nfs/dbraw/zinc/10/58/48/452105848.db2.gz GHVQTXSFWDYPQU-ZBFHGGJFSA-N 2 0 328.478 1.014 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000649488657 452108261 /nfs/dbraw/zinc/10/82/61/452108261.db2.gz UZBGGKYBRATTIY-CEXWTWQISA-N 2 0 333.476 1.105 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000637859687 452118021 /nfs/dbraw/zinc/11/80/21/452118021.db2.gz XIDGLRQGCUVLNG-QGZVFWFLSA-N 2 0 331.464 1.821 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)CC1 ZINC000637862827 452120601 /nfs/dbraw/zinc/12/06/01/452120601.db2.gz VNDBDWHHNYBKMR-MAUKXSAKSA-N 2 0 333.476 1.767 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000643299876 452123133 /nfs/dbraw/zinc/12/31/33/452123133.db2.gz GPMMSJDWWLJXMN-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(S(N)(=O)=O)cc2F)C1 ZINC000647217124 452130250 /nfs/dbraw/zinc/13/02/50/452130250.db2.gz AAUBVLKTXUHGKA-LBPRGKRZSA-N 2 0 329.441 1.295 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H](N)C[N@@H+](C)Cc2ccccc2)CCCCC1 ZINC000637881888 452134364 /nfs/dbraw/zinc/13/43/64/452134364.db2.gz RXCYWQSPTAZJCN-SFHVURJKSA-N 2 0 346.519 1.826 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCC[C@H]3[NH3+])c2)C1 ZINC000643462708 452234544 /nfs/dbraw/zinc/23/45/44/452234544.db2.gz HOQXNVVIZPJIIB-KURKYZTESA-N 2 0 330.476 1.353 20 0 EDADRP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000647492704 452235164 /nfs/dbraw/zinc/23/51/64/452235164.db2.gz UMPJGPPUAVIQPI-UHFFFAOYSA-N 2 0 328.464 1.221 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657438135 452246486 /nfs/dbraw/zinc/24/64/86/452246486.db2.gz IUQREBXOQNBOJO-LBPRGKRZSA-N 2 0 333.402 1.555 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)nc1 ZINC000647509503 452246728 /nfs/dbraw/zinc/24/67/28/452246728.db2.gz HCTNZSWSRCSWQX-QAPCUYQASA-N 2 0 346.475 1.561 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641782792 452252032 /nfs/dbraw/zinc/25/20/32/452252032.db2.gz MEXOTTQHDGRHKD-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)C[NH2+]C)CC1 ZINC000659433214 452278645 /nfs/dbraw/zinc/27/86/45/452278645.db2.gz ICPLCSQDVUXXCD-INIZCTEOSA-N 2 0 347.507 1.231 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659433629 452279941 /nfs/dbraw/zinc/27/99/41/452279941.db2.gz AFJJWBOUMODIRV-CAOSSQGBSA-N 2 0 328.476 1.825 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)NCC1([NH+]2CCSCC2)CCCC1 ZINC000659438470 452285896 /nfs/dbraw/zinc/28/58/96/452285896.db2.gz YCROZKHCSIJGGK-UHFFFAOYSA-N 2 0 338.521 1.399 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659441936 452290188 /nfs/dbraw/zinc/29/01/88/452290188.db2.gz XCGSCWJJXPMMII-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCC(C)(C)[NH3+] ZINC000641813649 452294928 /nfs/dbraw/zinc/29/49/28/452294928.db2.gz JIAAMHAOTCFBJH-UHFFFAOYSA-N 2 0 333.480 1.996 20 0 EDADRP COCC1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC[NH2+]CC1 ZINC000643531246 452296180 /nfs/dbraw/zinc/29/61/80/452296180.db2.gz DFADITZGSYYUPP-XLIONFOSSA-N 3 0 345.487 1.848 20 0 EDADRP CC[NH+]1CCCN(c2ncnc(N3CCC[N@@H+](CC)CC3)c2C)CC1 ZINC000663578562 452302003 /nfs/dbraw/zinc/30/20/03/452302003.db2.gz GEASJTYCVBLZRN-UHFFFAOYSA-N 2 0 346.523 1.849 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652117682 452312581 /nfs/dbraw/zinc/31/25/81/452312581.db2.gz RGXSLBWBMTUPNL-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@]2(C[NH3+])CCCOC2)[NH+](C)C)c1 ZINC000638049694 452317774 /nfs/dbraw/zinc/31/77/74/452317774.db2.gz GTEVITGKATZBDB-SJLPKXTDSA-N 2 0 335.448 1.170 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCCC[NH+]1CCCCCC1 ZINC000638050470 452318799 /nfs/dbraw/zinc/31/87/99/452318799.db2.gz OMXJYOSZXBOTNF-IBGZPJMESA-N 2 0 346.519 1.828 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCCC1 ZINC000638051187 452323337 /nfs/dbraw/zinc/32/33/37/452323337.db2.gz YONXOMWLBZJMHS-YQQAZPJKSA-N 2 0 333.432 1.065 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)C[C@H]1C[NH3+] ZINC000652134978 452330373 /nfs/dbraw/zinc/33/03/73/452330373.db2.gz BPMWORYZPUAYEC-ARFHVFGLSA-N 2 0 326.485 1.114 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000638062342 452355722 /nfs/dbraw/zinc/35/57/22/452355722.db2.gz FMRNZISYWQCNTA-AEFFLSMTSA-N 2 0 335.448 1.010 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000638062291 452355915 /nfs/dbraw/zinc/35/59/15/452355915.db2.gz DUSAVQLQDINUSZ-QUCCMNQESA-N 2 0 345.487 1.843 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)[NH+]1CCC(C)CC1 ZINC000638063052 452361871 /nfs/dbraw/zinc/36/18/71/452361871.db2.gz CRUVXDVFDVICHJ-WMZOPIPTSA-N 2 0 325.497 1.615 20 0 EDADRP C[C@@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC[C@@H](C)C1 ZINC000638067599 452370035 /nfs/dbraw/zinc/37/00/35/452370035.db2.gz FPAMEZPCCFKOJX-AOIWGVFYSA-N 2 0 346.519 1.682 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638068508 452373494 /nfs/dbraw/zinc/37/34/94/452373494.db2.gz YDCUIHRLAOYNHS-SJLPKXTDSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]C[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638071106 452376723 /nfs/dbraw/zinc/37/67/23/452376723.db2.gz FFLYSWQCOLVFTO-IEBWSBKVSA-N 2 0 331.460 1.523 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659513696 452378862 /nfs/dbraw/zinc/37/88/62/452378862.db2.gz YHEHYISXERQCLJ-QGZVFWFLSA-N 2 0 330.476 1.807 20 0 EDADRP COC[C@@]1(C(=O)NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC[NH2+]1 ZINC000638077411 452389097 /nfs/dbraw/zinc/38/90/97/452389097.db2.gz SBLZLZSZXGDJPE-SOLBZPMBSA-N 2 0 341.496 1.151 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659542785 452400963 /nfs/dbraw/zinc/40/09/63/452400963.db2.gz NNNIOHJJBRFKBE-WMLDXEAASA-N 2 0 338.496 1.175 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659551216 452407926 /nfs/dbraw/zinc/40/79/26/452407926.db2.gz AHGHNQMRTNPUDU-AWEZNQCLSA-N 2 0 326.485 1.304 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CC[C@@H](C)S(=O)(=O)C1 ZINC000657640692 452413315 /nfs/dbraw/zinc/41/33/15/452413315.db2.gz ZERVNZVPZFNMNG-DOMZBBRYSA-N 2 0 334.445 1.631 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000659556239 452413700 /nfs/dbraw/zinc/41/37/00/452413700.db2.gz DFMLRKPBQOWJPR-QGZVFWFLSA-N 2 0 332.448 1.198 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567677 452423934 /nfs/dbraw/zinc/42/39/34/452423934.db2.gz XWVDXSADGCDHRH-QGZVFWFLSA-N 2 0 331.464 1.297 20 0 EDADRP C[C@@H](CC[NH+](C)C[C@@H]1COCCO1)CC[N@H+](C)C[C@H]1COCCO1 ZINC000661613177 452432598 /nfs/dbraw/zinc/43/25/98/452432598.db2.gz GZQONGRLFQCBCD-BCDXTJNWSA-N 2 0 344.496 1.097 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659580493 452435236 /nfs/dbraw/zinc/43/52/36/452435236.db2.gz CPRSBWKAEDVPRS-LBRJOISOSA-N 2 0 334.439 1.650 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581719 452436335 /nfs/dbraw/zinc/43/63/35/452436335.db2.gz SGZJNGIYDCZPFC-QTDMDRALSA-N 2 0 338.402 1.541 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C[C@H]1[NH3+] ZINC000659581039 452436694 /nfs/dbraw/zinc/43/66/94/452436694.db2.gz HWMGJTVPHYICCD-PBXWNFIWSA-N 2 0 338.402 1.399 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659581796 452437160 /nfs/dbraw/zinc/43/71/60/452437160.db2.gz BYYHUEZXHPAOCH-QZTJIDSGSA-N 2 0 348.491 1.352 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659580983 452437335 /nfs/dbraw/zinc/43/73/35/452437335.db2.gz HHMGMSKSABNPSH-DKIMLUQUSA-N 2 0 346.450 1.665 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000659589810 452446521 /nfs/dbraw/zinc/44/65/21/452446521.db2.gz WZOFQSOJUXDITO-VDNDLQMASA-N 2 0 334.439 1.650 20 0 EDADRP NC(=O)c1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647783799 452520609 /nfs/dbraw/zinc/52/06/09/452520609.db2.gz CLJJRPCHSDYKIA-QXSJWSMHSA-N 2 0 328.460 1.342 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)CC1 ZINC000647786183 452520733 /nfs/dbraw/zinc/52/07/33/452520733.db2.gz JXANWNZICYCDAJ-PCCBWWKXSA-N 3 0 342.531 1.912 20 0 EDADRP O=C(C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000647786153 452520913 /nfs/dbraw/zinc/52/09/13/452520913.db2.gz JDLBWXQGJSTRRQ-RCCFBDPRSA-N 2 0 342.487 1.313 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000655703497 452524032 /nfs/dbraw/zinc/52/40/32/452524032.db2.gz HJPNIMURERYNBB-LJQANCHMSA-N 2 0 347.503 1.970 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647795472 452526337 /nfs/dbraw/zinc/52/63/37/452526337.db2.gz QGPBCFMNVLJQDD-IJEWVQPXSA-N 2 0 343.537 1.557 20 0 EDADRP O=S1(=O)C[C@H](C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)Oc2ccccc21 ZINC000647801188 452530905 /nfs/dbraw/zinc/53/09/05/452530905.db2.gz QJOWSTXYXHNCCV-YJNKXOJESA-N 2 0 336.457 1.199 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccccc2F)C1 ZINC000652361270 452541898 /nfs/dbraw/zinc/54/18/98/452541898.db2.gz BKOLWOMGYCSZEO-NXHRZFHOSA-N 2 0 349.450 1.803 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@H]([NH3+])CCO3)on2)cn1 ZINC000652364038 452543741 /nfs/dbraw/zinc/54/37/41/452543741.db2.gz VWMSCAWNPMFBKR-OLMNPRSZSA-N 2 0 345.447 1.936 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760009 452561727 /nfs/dbraw/zinc/56/17/27/452561727.db2.gz UVNSJPUZLKTFTE-IEBWSBKVSA-N 3 0 339.524 1.720 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000659690703 452569216 /nfs/dbraw/zinc/56/92/16/452569216.db2.gz SDZITJZIONIWIM-OAHLLOKOSA-N 2 0 348.491 1.209 20 0 EDADRP C[N@@H+](CCC(=O)NCc1ccccc1Cl)CCN1CC[NH2+]CC1 ZINC000647835084 452570763 /nfs/dbraw/zinc/57/07/63/452570763.db2.gz MAKPZLILMMRNKT-UHFFFAOYSA-N 2 0 338.883 1.183 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654528595 452609822 /nfs/dbraw/zinc/60/98/22/452609822.db2.gz XOFVLLBVPXBVCY-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC1 ZINC000655923192 452689123 /nfs/dbraw/zinc/68/91/23/452689123.db2.gz WGWCRNBULDSZRU-LBPRGKRZSA-N 2 0 340.390 1.065 20 0 EDADRP C[NH+]1CCC(CNC(=O)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000664001821 452701014 /nfs/dbraw/zinc/70/10/14/452701014.db2.gz APEOKLLHSRUOIH-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(c3cc(OC)cc[nH+]3)CC2)C1 ZINC000661951467 452711933 /nfs/dbraw/zinc/71/19/33/452711933.db2.gz ORNQQVFYGXIGOU-OAHLLOKOSA-N 2 0 347.463 1.406 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NCCOc1ccccc1 ZINC000647975638 452719978 /nfs/dbraw/zinc/71/99/78/452719978.db2.gz DACVLZMKFXPELE-ROUUACIJSA-N 2 0 345.487 1.893 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975681 452721091 /nfs/dbraw/zinc/72/10/91/452721091.db2.gz DMXYYDJPJSUEHC-CVEARBPZSA-N 2 0 326.444 1.906 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000655958516 452739867 /nfs/dbraw/zinc/73/98/67/452739867.db2.gz LXQGPQFEKYYGHN-JQFCIGGWSA-N 2 0 344.459 1.778 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)cn1 ZINC000652612649 452771198 /nfs/dbraw/zinc/77/11/98/452771198.db2.gz YJVJMOVIQFJAKR-OAHLLOKOSA-N 2 0 334.468 1.298 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1 ZINC000654660679 452775110 /nfs/dbraw/zinc/77/51/10/452775110.db2.gz BODDKWOODUQVGX-LMSBXDPUSA-N 2 0 334.508 1.985 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000656018321 452806401 /nfs/dbraw/zinc/80/64/01/452806401.db2.gz UHYLUNKTUMRAEC-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N(Cc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000648115215 452831778 /nfs/dbraw/zinc/83/17/78/452831778.db2.gz LKHXEMRSGWLPDW-INIZCTEOSA-N 2 0 335.411 1.981 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000648118984 452834697 /nfs/dbraw/zinc/83/46/97/452834697.db2.gz CNBDDKXCVJTNBD-KFWWJZLASA-N 2 0 348.516 1.954 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2F)(N2CCOCC2)CC1 ZINC000666407244 452847179 /nfs/dbraw/zinc/84/71/79/452847179.db2.gz KFBQXDHUQMPAEF-UHFFFAOYSA-N 2 0 339.430 1.851 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)C[C@@H]1C ZINC000659983495 452890315 /nfs/dbraw/zinc/89/03/15/452890315.db2.gz NZQQMHGNVYKUDT-GOEBONIOSA-N 2 0 339.505 1.899 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)c2cc1C ZINC000656153386 452907550 /nfs/dbraw/zinc/90/75/50/452907550.db2.gz QLMXOKSGNALIEB-IXDOHACOSA-N 2 0 330.476 1.944 20 0 EDADRP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000650718317 452950390 /nfs/dbraw/zinc/95/03/90/452950390.db2.gz GUTULEMAYGHUFW-UHFFFAOYSA-N 2 0 332.473 1.989 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOCc2ccccc2)CC1 ZINC000660057095 452972001 /nfs/dbraw/zinc/97/20/01/452972001.db2.gz UUZCKEDPDNHPLP-UHFFFAOYSA-N 2 0 333.476 1.593 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCO[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000652813903 452972580 /nfs/dbraw/zinc/97/25/80/452972580.db2.gz NGUYTBAYRVDZMZ-RBUKOAKNSA-N 2 0 345.487 1.830 20 0 EDADRP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248852 452973301 /nfs/dbraw/zinc/97/33/01/452973301.db2.gz LAGYVLWJEHBFJO-OAHLLOKOSA-N 2 0 342.443 1.900 20 0 EDADRP COc1cc2c(cc1OC)CC[NH+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662254370 452982856 /nfs/dbraw/zinc/98/28/56/452982856.db2.gz PRUOMRVVIJQWCM-MRXNPFEDSA-N 2 0 332.444 1.625 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000660073476 452989417 /nfs/dbraw/zinc/98/94/17/452989417.db2.gz GBXKVLRUSURYGP-IBGZPJMESA-N 2 0 347.503 1.924 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)C1 ZINC000662265086 452995867 /nfs/dbraw/zinc/99/58/67/452995867.db2.gz UOVKYBFQMIRNCJ-LJQANCHMSA-N 2 0 328.504 1.544 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000660084509 453000298 /nfs/dbraw/zinc/00/02/98/453000298.db2.gz ZTYFDWDHTQKOJP-YOEHRIQHSA-N 2 0 339.505 1.757 20 0 EDADRP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)on2)cc1 ZINC000662275629 453001497 /nfs/dbraw/zinc/00/14/97/453001497.db2.gz FUSIRRROANVNRR-INIZCTEOSA-N 2 0 342.443 1.830 20 0 EDADRP CC(C)(C)n1nnc(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)n1 ZINC000662287071 453012186 /nfs/dbraw/zinc/01/21/86/453012186.db2.gz VIPWLADIXNHHAX-ZNMIVQPWSA-N 2 0 336.484 1.189 20 0 EDADRP CO[C@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@H]1CCOC1 ZINC000660107147 453032167 /nfs/dbraw/zinc/03/21/67/453032167.db2.gz MLFVHFVQCQNUJK-PKOBYXMFSA-N 2 0 339.524 1.528 20 0 EDADRP C[C@H]1CN(CCO)CCN1C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666660459 453044845 /nfs/dbraw/zinc/04/48/45/453044845.db2.gz NXUMYVIZFVPXRN-JKSUJKDBSA-N 2 0 338.496 1.101 20 0 EDADRP COC[C@H](C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1)OC ZINC000662327554 453046741 /nfs/dbraw/zinc/04/67/41/453046741.db2.gz RTIUECTVFPCVJP-INIZCTEOSA-N 2 0 336.480 1.718 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644124749 453063956 /nfs/dbraw/zinc/06/39/56/453063956.db2.gz ICZZIMGDCLZCEI-OAHLLOKOSA-N 2 0 325.403 1.853 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000662384335 453091650 /nfs/dbraw/zinc/09/16/50/453091650.db2.gz WASGFBVGAHZIOP-GOSISDBHSA-N 2 0 332.492 1.621 20 0 EDADRP [NH3+]CCn1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000662382297 453092301 /nfs/dbraw/zinc/09/23/01/453092301.db2.gz PYJHUUWIJFUDRE-UHFFFAOYSA-N 2 0 328.420 1.475 20 0 EDADRP O=C([C@H]1C[NH2+]CCC1(F)F)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000644165999 453096266 /nfs/dbraw/zinc/09/62/66/453096266.db2.gz VBTVQDPSXJGMHD-GVDBMIGSSA-N 2 0 349.425 1.964 20 0 EDADRP C[C@H](CNC(=O)c1cnnn1C1CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662389144 453099133 /nfs/dbraw/zinc/09/91/33/453099133.db2.gz VTNMXGOFJSBGTF-ZIAGYGMSSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000666831397 453175665 /nfs/dbraw/zinc/17/56/65/453175665.db2.gz CIQQQUKVIBPONC-CJNGLKHVSA-N 2 0 336.436 1.207 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000662466738 453176940 /nfs/dbraw/zinc/17/69/40/453176940.db2.gz IHSPFISTLJNHDZ-MRXNPFEDSA-N 2 0 347.463 1.839 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662491375 453208605 /nfs/dbraw/zinc/20/86/05/453208605.db2.gz QYNGGQPANMQJCL-CQSZACIVSA-N 2 0 349.479 1.060 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC000648786952 453274189 /nfs/dbraw/zinc/27/41/89/453274189.db2.gz XFPBQRGXUFDOCL-BRWVUGGUSA-N 2 0 327.513 1.826 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)COC2CC[NH2+]CC2)cc1 ZINC000646279060 453285290 /nfs/dbraw/zinc/28/52/90/453285290.db2.gz VYUCTGUALAGKBL-UHFFFAOYSA-N 2 0 335.448 1.724 20 0 EDADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)c1nccs1 ZINC000664655881 453290149 /nfs/dbraw/zinc/29/01/49/453290149.db2.gz QGQRDBKHVLAIEE-CYBMUJFWSA-N 2 0 327.498 1.429 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106647 453290355 /nfs/dbraw/zinc/29/03/55/453290355.db2.gz HKQBNTSADBGPHV-HKUYNNGSSA-N 2 0 331.460 1.381 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000666978735 453298762 /nfs/dbraw/zinc/29/87/62/453298762.db2.gz CROKPQOFJZUZMD-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653116726 453305286 /nfs/dbraw/zinc/30/52/86/453305286.db2.gz QDEGVEFLRAQJGS-RTBURBONSA-N 2 0 345.487 1.816 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000653120655 453309916 /nfs/dbraw/zinc/30/99/16/453309916.db2.gz WQEPBLWZJNTRIP-MRXNPFEDSA-N 2 0 330.476 1.086 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662597032 453322077 /nfs/dbraw/zinc/32/20/77/453322077.db2.gz VYQXOPSMWPBCFG-AXVVYFOYSA-N 2 0 349.519 1.757 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)CC[N@@H+]1C ZINC000648842518 453323510 /nfs/dbraw/zinc/32/35/10/453323510.db2.gz AHEREHBHEQOJPQ-QXCFHYIPSA-N 2 0 345.487 1.326 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158198 453350630 /nfs/dbraw/zinc/35/06/30/453350630.db2.gz XIJJXWBTUQAQSC-QRQLOZEOSA-N 3 0 346.519 1.682 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000646419755 453378712 /nfs/dbraw/zinc/37/87/12/453378712.db2.gz OKRYDDFESULEGH-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000648899327 453379465 /nfs/dbraw/zinc/37/94/65/453379465.db2.gz HPQVPQDQHVFSTR-JYYAWHABSA-N 2 0 333.480 1.259 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000664758947 453383927 /nfs/dbraw/zinc/38/39/27/453383927.db2.gz QZLGJPJXYJDSOH-MRXNPFEDSA-N 2 0 342.528 1.907 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000662672774 453388093 /nfs/dbraw/zinc/38/80/93/453388093.db2.gz DSVMZRYDGKOXCS-SJORKVTESA-N 2 0 335.423 1.270 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000667094529 453401475 /nfs/dbraw/zinc/40/14/75/453401475.db2.gz VXJVCKHHCXAVDU-HNNXBMFYSA-N 2 0 332.448 1.334 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C[NH+]1CCCCC1 ZINC000662690472 453409433 /nfs/dbraw/zinc/40/94/33/453409433.db2.gz NTJMOGASIJLEPV-CVEARBPZSA-N 2 0 348.495 1.445 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000662694459 453414475 /nfs/dbraw/zinc/41/44/75/453414475.db2.gz QQJBZVMNMPWXSO-CYJAXWMASA-N 2 0 337.508 1.756 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@@H]1CC[NH3+] ZINC000653241235 453423666 /nfs/dbraw/zinc/42/36/66/453423666.db2.gz YTTIPBSSTAZNOW-NVXWUHKLSA-N 2 0 345.491 1.423 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000662708177 453431028 /nfs/dbraw/zinc/43/10/28/453431028.db2.gz QHZHEUXKEQQJQX-ROUUACIJSA-N 2 0 347.459 1.193 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000653260015 453441255 /nfs/dbraw/zinc/44/12/55/453441255.db2.gz BHFVMAMTWRQBQU-KZNAEPCWSA-N 2 0 329.444 1.791 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782620 453444616 /nfs/dbraw/zinc/44/46/16/453444616.db2.gz HVUFPAOFKIDKNP-INIZCTEOSA-N 2 0 341.455 1.994 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662728524 453455836 /nfs/dbraw/zinc/45/58/36/453455836.db2.gz BDDNSZHCHBTFHN-HOTGVXAUSA-N 2 0 348.495 1.300 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000662744221 453473195 /nfs/dbraw/zinc/47/31/95/453473195.db2.gz YIJMPKOFEVLKDL-OAHLLOKOSA-N 2 0 340.512 1.117 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662745924 453474296 /nfs/dbraw/zinc/47/42/96/453474296.db2.gz PVIZRDQPHHXRRV-CQSZACIVSA-N 2 0 334.468 1.149 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000662757066 453493997 /nfs/dbraw/zinc/49/39/97/453493997.db2.gz KEUZHZRJAVAOQW-MSOLQXFVSA-N 2 0 346.475 1.126 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664934592 453498908 /nfs/dbraw/zinc/49/89/08/453498908.db2.gz FKCHHNXVBURHRS-NVXWUHKLSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000660696648 453520934 /nfs/dbraw/zinc/52/09/34/453520934.db2.gz TXTLTTXBBQDXAT-IRXDYDNUSA-N 2 0 327.513 1.168 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1cccc2c1CC[NH2+]C2 ZINC000662792749 453526803 /nfs/dbraw/zinc/52/68/03/453526803.db2.gz XVFMQFROUAHOAC-UHFFFAOYSA-N 2 0 338.455 1.931 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662798948 453533171 /nfs/dbraw/zinc/53/31/71/453533171.db2.gz HPDHUWZNEUOGOU-KURKYZTESA-N 2 0 331.460 1.473 20 0 EDADRP C[C@@H](CNC(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1)[NH+](C)C ZINC000665044423 453550827 /nfs/dbraw/zinc/55/08/27/453550827.db2.gz TXYZQXPVKRIYRV-AWEZNQCLSA-N 2 0 327.432 1.996 20 0 EDADRP O=C(N1CCC[C@H](C2CC[NH2+]CC2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662842381 453566420 /nfs/dbraw/zinc/56/64/20/453566420.db2.gz NMILZQUDFWOACF-ZFWWWQNUSA-N 2 0 333.398 1.767 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000662866847 453579637 /nfs/dbraw/zinc/57/96/37/453579637.db2.gz KSHAKYFJZHXNBX-MJBXVCDLSA-N 2 0 327.375 1.239 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CCO1 ZINC000662972783 453630874 /nfs/dbraw/zinc/63/08/74/453630874.db2.gz MDEUZQFAEGZFAY-AEFFLSMTSA-N 2 0 331.460 1.443 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000665271055 453630883 /nfs/dbraw/zinc/63/08/83/453630883.db2.gz GFFURDLNAUBJEU-IRXDYDNUSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CCO1 ZINC000662973031 453631036 /nfs/dbraw/zinc/63/10/36/453631036.db2.gz OJNCHDXGAVLHCX-JSGCOSHPSA-N 2 0 337.386 1.098 20 0 EDADRP [NH3+]Cc1cc(=O)[nH]c(CNC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000665289368 453636702 /nfs/dbraw/zinc/63/67/02/453636702.db2.gz MMWYSVZDHBGGIL-UHFFFAOYSA-N 2 0 327.432 1.395 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665290840 453638122 /nfs/dbraw/zinc/63/81/22/453638122.db2.gz MHXWNXYPLXHZEJ-NSHDSACASA-N 2 0 332.404 1.379 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657348045 453770694 /nfs/dbraw/zinc/77/06/94/453770694.db2.gz ZWDODHDEZSXBKH-ZDUSSCGKSA-N 2 0 347.429 1.802 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657430709 453785564 /nfs/dbraw/zinc/78/55/64/453785564.db2.gz AXQAPFJSOMFTPN-GOSISDBHSA-N 2 0 326.444 1.686 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000663449029 453801365 /nfs/dbraw/zinc/80/13/65/453801365.db2.gz AGJHFVDTFRBMJU-SQNIBIBYSA-N 2 0 348.491 1.386 20 0 EDADRP COc1ccccc1[C@@H]1C[NH2+]CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663492854 453810159 /nfs/dbraw/zinc/81/01/59/453810159.db2.gz CNKARZOVGYVOPY-HNNXBMFYSA-N 2 0 344.484 1.944 20 0 EDADRP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512954 453813386 /nfs/dbraw/zinc/81/33/86/453813386.db2.gz HXGBFEYGABJRSA-JKSUJKDBSA-N 2 0 334.512 1.372 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000671740278 486738209 /nfs/dbraw/zinc/73/82/09/486738209.db2.gz DSMRQXNUNBEWLE-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP CCC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC(=O)N(C)C1=O ZINC000670271983 486777032 /nfs/dbraw/zinc/77/70/32/486777032.db2.gz SMTJKBUWMPREGP-KRWDZBQOSA-N 2 0 347.459 1.596 20 0 EDADRP C[NH+]1CCC[C@H](CNc2nccnc2NC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000680956700 486908173 /nfs/dbraw/zinc/90/81/73/486908173.db2.gz ALFPMCLGWMUIIQ-HZPDHXFCSA-N 2 0 332.496 1.984 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667735474 486939044 /nfs/dbraw/zinc/93/90/44/486939044.db2.gz URMTVWGMTCNBQG-UHFFFAOYSA-N 2 0 341.415 1.903 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CC[NH+](C2CCCC2)CC1 ZINC000667791362 486966667 /nfs/dbraw/zinc/96/66/67/486966667.db2.gz LWDZETNROLFTIW-UHFFFAOYSA-N 2 0 329.448 1.819 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667799367 486970386 /nfs/dbraw/zinc/97/03/86/486970386.db2.gz TZRQYOALUXCHSB-UHFFFAOYSA-N 2 0 343.431 1.916 20 0 EDADRP OC[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000684607878 487115332 /nfs/dbraw/zinc/11/53/32/487115332.db2.gz OGZAISGUOOWTOF-RTBURBONSA-N 2 0 348.487 1.896 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673866457 487139062 /nfs/dbraw/zinc/13/90/62/487139062.db2.gz CNRKVLIICFQURM-MRXNPFEDSA-N 2 0 336.484 1.783 20 0 EDADRP OCC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CCO)C2)C1 ZINC000674232635 487219471 /nfs/dbraw/zinc/21/94/71/487219471.db2.gz HNELICSSWJCWHD-QZTJIDSGSA-N 2 0 328.497 1.192 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000675177529 487385417 /nfs/dbraw/zinc/38/54/17/487385417.db2.gz UHODRHOKXLQCIR-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000675742696 487440516 /nfs/dbraw/zinc/44/05/16/487440516.db2.gz UWRHSXWTEYPQHD-HNNXBMFYSA-N 2 0 343.479 1.339 20 0 EDADRP O=C(N1CCC[C@@]2(CC[NH2+]C2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669518700 485484340 /nfs/dbraw/zinc/48/43/40/485484340.db2.gz SVYHAVXAUODLCD-IBGZPJMESA-N 2 0 327.472 1.910 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000669530061 485504921 /nfs/dbraw/zinc/50/49/21/485504921.db2.gz PGVZEVQBWSOLFZ-HZPDHXFCSA-N 2 0 338.496 1.258 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000669547117 485537549 /nfs/dbraw/zinc/53/75/49/485537549.db2.gz FUKPWJKCWVIAJF-CVEARBPZSA-N 2 0 349.479 1.291 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N3CC[C@@H]([NH3+])C3)CC[N@@H+]2C2CC2)c1 ZINC000669554350 485551553 /nfs/dbraw/zinc/55/15/53/485551553.db2.gz DYHXQAMDHULTGE-ZTFGCOKTSA-N 2 0 344.459 1.716 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NC[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554263 485553288 /nfs/dbraw/zinc/55/32/88/485553288.db2.gz ZTHNNEORHUOVAC-CSMYWGQOSA-N 2 0 332.448 1.619 20 0 EDADRP C[C@@H](NC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000669555796 485557050 /nfs/dbraw/zinc/55/70/50/485557050.db2.gz HVVWVZIVZSSSTE-HWMZRRJGSA-N 2 0 338.496 1.397 20 0 EDADRP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669556920 485559809 /nfs/dbraw/zinc/55/98/09/485559809.db2.gz NUEMGYGDCNRJFN-RCCFBDPRSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669573789 485605734 /nfs/dbraw/zinc/60/57/34/485605734.db2.gz YINQGPPANHOHOM-GBESFXJTSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)NCC2C[NH2+]C2)C1 ZINC000669125117 485706302 /nfs/dbraw/zinc/70/63/02/485706302.db2.gz KTFYHHYKCKMACP-HNNXBMFYSA-N 2 0 330.476 1.937 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000368620238 485742470 /nfs/dbraw/zinc/74/24/70/485742470.db2.gz XMRDJIYQRTYADE-WCXIOVBPSA-N 2 0 336.480 1.118 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000669184425 485785520 /nfs/dbraw/zinc/78/55/20/485785520.db2.gz ZAPATGBPVPOPGX-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)NC/C=C\C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347612 485995518 /nfs/dbraw/zinc/99/55/18/485995518.db2.gz SDIUNGZHFDNARY-OOFWQKGWSA-N 2 0 345.491 1.179 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000669397651 486056488 /nfs/dbraw/zinc/05/64/88/486056488.db2.gz VJYDWAPASLVICO-MRXNPFEDSA-N 2 0 333.480 1.235 20 0 EDADRP COCCOc1ccc(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668741236 486114243 /nfs/dbraw/zinc/11/42/43/486114243.db2.gz PVZHZAPEANOARL-GOSISDBHSA-N 2 0 334.460 1.743 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)[NH+](C)C)cc1 ZINC000669419016 486137837 /nfs/dbraw/zinc/13/78/37/486137837.db2.gz XREFKRSZOBNTQE-NXHRZFHOSA-N 2 0 330.476 1.991 20 0 EDADRP CC[C@H]1CN(CC(=O)Nc2ccc(Br)cn2)CC[C@H]1[NH3+] ZINC000251917207 486170790 /nfs/dbraw/zinc/17/07/90/486170790.db2.gz YFTNSZDYKOFQQV-CMPLNLGQSA-N 2 0 341.253 1.842 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccccc1 ZINC000668809923 486219118 /nfs/dbraw/zinc/21/91/18/486219118.db2.gz YBMIRNTZGCDOIV-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NC[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000669484418 486250032 /nfs/dbraw/zinc/25/00/32/486250032.db2.gz WDJWFCDDUPMYEP-SJLPKXTDSA-N 2 0 345.491 1.154 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669508720 486291640 /nfs/dbraw/zinc/29/16/40/486291640.db2.gz KXAIUUMOMFTQKQ-MRXNPFEDSA-N 2 0 325.412 1.308 20 0 EDADRP C[C@H](CCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000669511480 486294725 /nfs/dbraw/zinc/29/47/25/486294725.db2.gz LVGXNKBFSMIRLB-RYRKJORJSA-N 2 0 348.491 1.655 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000131466489 491212658 /nfs/dbraw/zinc/21/26/58/491212658.db2.gz VWKWAJRQTZGVLP-LJQANCHMSA-N 2 0 335.492 1.563 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000668475767 491176204 /nfs/dbraw/zinc/17/62/04/491176204.db2.gz WILOLXMNTIKOJQ-JYJNAYRXSA-N 2 0 333.542 1.204 20 0 EDADRP COCCOc1ccccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000083455433 491184290 /nfs/dbraw/zinc/18/42/90/491184290.db2.gz CRQOMRWNWCLVBX-UHFFFAOYSA-N 2 0 335.492 1.829 20 0 EDADRP COc1cc(CNC(=O)c2coc(C[NH3+])c2)ccc1OCC[NH+](C)C ZINC000188107860 533869132 /nfs/dbraw/zinc/86/91/32/533869132.db2.gz OWGQIVCXNZNRBZ-UHFFFAOYSA-N 2 0 347.415 1.617 20 0 EDADRP C[C@@H]([NH3+])C(=O)NCc1cccc(OCC[N@H+](C)C2CCOCC2)c1 ZINC000167348650 534286451 /nfs/dbraw/zinc/28/64/51/534286451.db2.gz JUWKKUKEWRGISK-CQSZACIVSA-N 2 0 335.448 1.140 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](CCO)C(C)C)CC1 ZINC000176361846 534811901 /nfs/dbraw/zinc/81/19/01/534811901.db2.gz NLKZISSHMMNIFP-UHFFFAOYSA-N 2 0 347.503 1.778 20 0 EDADRP CC(C)(CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000164922273 527108075 /nfs/dbraw/zinc/10/80/75/527108075.db2.gz QJSYGUUBFXIKKB-SFHVURJKSA-N 2 0 345.487 1.708 20 0 EDADRP CC1(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000183384455 527940322 /nfs/dbraw/zinc/94/03/22/527940322.db2.gz PIRCRSDNMYPYPW-UHFFFAOYSA-N 2 0 344.503 1.705 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000152179180 528265365 /nfs/dbraw/zinc/26/53/65/528265365.db2.gz KFRBODTVLKVFDF-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[NH+](C)C ZINC000181616225 528311723 /nfs/dbraw/zinc/31/17/23/528311723.db2.gz XYJKAAWRPBUDSB-UHFFFAOYSA-N 2 0 349.479 1.520 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000262707993 536547090 /nfs/dbraw/zinc/54/70/90/536547090.db2.gz DSANCOMVYFJXDB-INIZCTEOSA-N 2 0 349.479 1.038 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@H]2CCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000352668384 535165854 /nfs/dbraw/zinc/16/58/54/535165854.db2.gz RQWPISPOLHQCMX-GJZGRUSLSA-N 2 0 332.510 1.167 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000339520771 535187550 /nfs/dbraw/zinc/18/75/50/535187550.db2.gz DJTPAYKXGGLZAN-SFHVURJKSA-N 2 0 330.476 1.997 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCOC[C@@H]2[C@H]2CCC[C@H]2O)CC1 ZINC000345854994 535200299 /nfs/dbraw/zinc/20/02/99/535200299.db2.gz XYGVLTHPXATLLN-GUDVDZBRSA-N 2 0 339.524 1.264 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)c1ccccc1 ZINC000261744753 535652707 /nfs/dbraw/zinc/65/27/07/535652707.db2.gz UBMXEXSXKGIHCX-KRWDZBQOSA-N 2 0 333.476 1.941 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C1 ZINC000236863158 535664292 /nfs/dbraw/zinc/66/42/92/535664292.db2.gz WFPDJXZFBVYWHW-OAHLLOKOSA-N 2 0 334.468 1.067 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000262674665 535711639 /nfs/dbraw/zinc/71/16/39/535711639.db2.gz QPCBALZHECDRJI-QGZVFWFLSA-N 2 0 338.540 1.676 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NCC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000261820028 535761766 /nfs/dbraw/zinc/76/17/66/535761766.db2.gz XTYFVMCIPVGTTK-KRWDZBQOSA-N 2 0 333.476 1.812 20 0 EDADRP CC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CC[NH2+]C1 ZINC000119621616 535880017 /nfs/dbraw/zinc/88/00/17/535880017.db2.gz CDDBEPQCEUFTQN-IBGZPJMESA-N 2 0 349.475 1.642 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N1CCC[N@H+](C)CC1 ZINC000332312180 535993902 /nfs/dbraw/zinc/99/39/02/535993902.db2.gz KQXZAOBKFXUNFH-UHFFFAOYSA-N 2 0 333.436 1.801 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCC2)c1 ZINC000049276566 536035717 /nfs/dbraw/zinc/03/57/17/536035717.db2.gz WIBGXSZNTVZYLN-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000727645492 578536548 /nfs/dbraw/zinc/53/65/48/578536548.db2.gz NHSPIMRKZIEVBE-HNNXBMFYSA-N 2 0 341.496 1.822 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)NCCN1CCOCC1(C)C ZINC000728228345 578545045 /nfs/dbraw/zinc/54/50/45/578545045.db2.gz BKCJBXDAZUZBQO-UHFFFAOYSA-N 2 0 330.542 1.149 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=S)NCC1CC[NH+](C)CC1 ZINC000760491259 580032028 /nfs/dbraw/zinc/03/20/28/580032028.db2.gz NDNYQFKOCVJBNA-OAHLLOKOSA-N 2 0 330.542 1.149 20 0 EDADRP CC[NH+](CC)CCOCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760512584 580032592 /nfs/dbraw/zinc/03/25/92/580032592.db2.gz VHEJQOKWTACRLP-UHFFFAOYSA-N 2 0 330.542 1.151 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000733165260 578745521 /nfs/dbraw/zinc/74/55/21/578745521.db2.gz AKEVUKFOWXRXKB-MSOLQXFVSA-N 2 0 332.492 1.996 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000734552945 578823053 /nfs/dbraw/zinc/82/30/53/578823053.db2.gz YSHCPUHGQNFBKP-SFHVURJKSA-N 2 0 338.540 1.737 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000766086488 580158609 /nfs/dbraw/zinc/15/86/09/580158609.db2.gz MAAWQSBDSKAQGE-GDBMZVCRSA-N 2 0 334.468 1.393 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775369982 580389461 /nfs/dbraw/zinc/38/94/61/580389461.db2.gz JNOFYELSJWLDHT-LVQVYYBASA-N 2 0 329.579 1.982 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000775372676 580389502 /nfs/dbraw/zinc/38/95/02/580389502.db2.gz GASZUYIGHSEWNY-BZUAXINKSA-N 2 0 329.579 1.983 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12)CN1CC[NH+](C)CC1 ZINC000775381238 580389759 /nfs/dbraw/zinc/38/97/59/580389759.db2.gz REIZSIVKNMKEOR-KLHDSHLOSA-N 2 0 329.579 1.839 20 0 EDADRP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CCc2nnnn2C)ccc1OC ZINC000775401896 580390147 /nfs/dbraw/zinc/39/01/47/580390147.db2.gz UPUSKUPZTDHFOX-CQSZACIVSA-N 2 0 346.479 1.954 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)C(F)(F)C3CCOCC3)C2)CC1 ZINC000790629792 580774212 /nfs/dbraw/zinc/77/42/12/580774212.db2.gz RKGWUGBINOVHJJ-CQSZACIVSA-N 2 0 345.434 1.333 20 0 EDADRP CC(C)[NH+]1CCN(CCCOC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000792203276 580813330 /nfs/dbraw/zinc/81/33/30/580813330.db2.gz JANZKUXNISYMDW-CALCHBBNSA-N 2 0 325.497 1.819 20 0 EDADRP CC1=C(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)SCCO1 ZINC000798171417 580989577 /nfs/dbraw/zinc/98/95/77/580989577.db2.gz ACODBOKFPKLPBG-UHFFFAOYSA-N 2 0 329.510 1.713 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(OCC(N)=O)cc3)C2)CC1 ZINC000798957400 581012329 /nfs/dbraw/zinc/01/23/29/581012329.db2.gz VWCGQKSQLIXNPE-UHFFFAOYSA-N 2 0 331.460 1.859 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)cc1 ZINC000891836044 590646039 /nfs/dbraw/zinc/64/60/39/590646039.db2.gz PGYSRWRQIGQJMG-ROUUACIJSA-N 2 0 330.476 1.827 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)cc1 ZINC000891836040 590646205 /nfs/dbraw/zinc/64/62/05/590646205.db2.gz PGYSRWRQIGQJMG-MSOLQXFVSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000891856582 590658151 /nfs/dbraw/zinc/65/81/51/590658151.db2.gz RZSQHOLNTAPFKY-BPQIPLTHSA-N 2 0 346.475 1.409 20 0 EDADRP CSC1(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC[NH+](C)CC1 ZINC000891907691 590683016 /nfs/dbraw/zinc/68/30/16/590683016.db2.gz SRQLKVLSYPKNKX-XJKSGUPXSA-N 2 0 326.510 1.398 20 0 EDADRP CSC1(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC[NH+](C)CC1 ZINC000891907688 590683288 /nfs/dbraw/zinc/68/32/88/590683288.db2.gz SRQLKVLSYPKNKX-BBRMVZONSA-N 2 0 326.510 1.398 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909876 590683698 /nfs/dbraw/zinc/68/36/98/590683698.db2.gz NWPXGSXFCODARQ-CVEARBPZSA-N 2 0 340.512 1.565 20 0 EDADRP CCn1ccnc1[C@@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891940029 590697328 /nfs/dbraw/zinc/69/73/28/590697328.db2.gz PFEGMWJBOJOVHE-SNVBAGLBSA-N 2 0 334.449 1.647 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000891970410 590715542 /nfs/dbraw/zinc/71/55/42/590715542.db2.gz GSXNYONGLSFJEP-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000892015922 590747453 /nfs/dbraw/zinc/74/74/53/590747453.db2.gz RRDMWPWCBDITOP-KBAYOESNSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000892018391 590748897 /nfs/dbraw/zinc/74/88/97/590748897.db2.gz BEKMWLGUEWDIBP-ZYSHUDEJSA-N 2 0 342.487 1.636 20 0 EDADRP [NH3+][C@@H](CNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000892031268 590759704 /nfs/dbraw/zinc/75/97/04/590759704.db2.gz UHINNTJXAKOOEX-MSOLQXFVSA-N 2 0 326.444 1.946 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892038933 590765864 /nfs/dbraw/zinc/76/58/64/590765864.db2.gz LBQRDFMMKDVALQ-UHFFFAOYSA-N 2 0 326.485 1.447 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000892087687 590792296 /nfs/dbraw/zinc/79/22/96/590792296.db2.gz HUYHBCLMWDRXKA-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3[NH2+]CCc4ccccc43)CC[C@H]21 ZINC000892119121 590809257 /nfs/dbraw/zinc/80/92/57/590809257.db2.gz MQJGOUCUTMFZNT-KBAYOESNSA-N 2 0 328.460 1.609 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCCCCCC[NH3+])cc1 ZINC000892210130 590866608 /nfs/dbraw/zinc/86/66/08/590866608.db2.gz FJOQNXYSFDGXNY-QGZVFWFLSA-N 2 0 334.464 1.870 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)N[C@H]2CCC[NH+](C)C2)[C@H](c2ccccc2)C1 ZINC000892237404 590880037 /nfs/dbraw/zinc/88/00/37/590880037.db2.gz JGRADXAUOFXGTN-SQNIBIBYSA-N 2 0 330.476 1.725 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CCC[N@@H+]3CCCC[C@@H]13)C2 ZINC000892236880 590880550 /nfs/dbraw/zinc/88/05/50/590880550.db2.gz UGBZPKNTZLMKNO-OCCSQVGLSA-N 2 0 349.504 1.686 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892240355 590881974 /nfs/dbraw/zinc/88/19/74/590881974.db2.gz KPZBYKZFAGZGPQ-HDICACEKSA-N 2 0 343.475 1.439 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000892266137 590899130 /nfs/dbraw/zinc/89/91/30/590899130.db2.gz BNQDNRGOWIONPY-HOCLYGCPSA-N 2 0 329.448 1.444 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)N3CCN(C)C(C)(C)C3)cc2n1 ZINC000891008801 590910978 /nfs/dbraw/zinc/91/09/78/590910978.db2.gz LCTFDYYNQVZXQY-UHFFFAOYSA-N 2 0 329.404 1.134 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000892296603 590921368 /nfs/dbraw/zinc/92/13/68/590921368.db2.gz XTTZYOYLTLYGFI-KMFMINBZSA-N 2 0 332.448 1.492 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892452085 591032505 /nfs/dbraw/zinc/03/25/05/591032505.db2.gz ITXHOYSHZWQOKL-QAQDUYKDSA-N 3 0 341.544 1.419 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000892452984 591033322 /nfs/dbraw/zinc/03/33/22/591033322.db2.gz HFTAAKYPURSUMK-RMXPPQQLSA-N 2 0 344.459 1.717 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000892483806 591044191 /nfs/dbraw/zinc/04/41/91/591044191.db2.gz AXIORMDSCRTIKQ-MRXNPFEDSA-N 2 0 345.491 1.687 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892485698 591044807 /nfs/dbraw/zinc/04/48/07/591044807.db2.gz FSNHGKZPJZSGSP-HNNXBMFYSA-N 2 0 326.485 1.175 20 0 EDADRP Nc1cc[nH+]c(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000891349805 591054858 /nfs/dbraw/zinc/05/48/58/591054858.db2.gz WLLMDAHXYKAOJY-UHFFFAOYSA-N 2 0 325.416 1.521 20 0 EDADRP COC(=O)c1sccc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000892545183 591067494 /nfs/dbraw/zinc/06/74/94/591067494.db2.gz LAXWMQNESLIVKU-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892584929 591082643 /nfs/dbraw/zinc/08/26/43/591082643.db2.gz RMPMFABOCWSGEB-NXOAAHMSSA-N 2 0 343.475 1.832 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccc(O)c(F)c3)ccn2)CC1 ZINC000892595517 591086416 /nfs/dbraw/zinc/08/64/16/591086416.db2.gz USPVCVHOEBDKBB-UHFFFAOYSA-N 2 0 330.407 1.968 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000891493669 591093645 /nfs/dbraw/zinc/09/36/45/591093645.db2.gz XSUOTATZEXBJPE-MRXNPFEDSA-N 2 0 340.512 1.565 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000891514474 591103776 /nfs/dbraw/zinc/10/37/76/591103776.db2.gz SHFJLLPLSBXXEF-IYBDPMFKSA-N 2 0 334.464 1.206 20 0 EDADRP C[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H]1c1ccccc1 ZINC000893873943 591125015 /nfs/dbraw/zinc/12/50/15/591125015.db2.gz DUDGFTNCEKUTML-MLHJIOFPSA-N 2 0 328.460 1.777 20 0 EDADRP CN(C)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000891564037 591127390 /nfs/dbraw/zinc/12/73/90/591127390.db2.gz GFOOOJMIWORDNU-JTNHKYCSSA-N 2 0 326.391 1.604 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000893914181 591135530 /nfs/dbraw/zinc/13/55/30/591135530.db2.gz LJNWEIJDZCFQGP-HNNXBMFYSA-N 2 0 349.479 1.306 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000892735758 591154108 /nfs/dbraw/zinc/15/41/08/591154108.db2.gz PDPWOQNUPCWRQC-GOEBONIOSA-N 2 0 340.489 1.540 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)CC1 ZINC000891631799 591158572 /nfs/dbraw/zinc/15/85/72/591158572.db2.gz BACNPTFGYYQASN-MAUKXSAKSA-N 2 0 338.496 1.127 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892759302 591164941 /nfs/dbraw/zinc/16/49/41/591164941.db2.gz NOPFJGGMHWYDAE-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)ccn1 ZINC000892760658 591165607 /nfs/dbraw/zinc/16/56/07/591165607.db2.gz WCWSSOQHTJCYCS-GOSISDBHSA-N 2 0 332.448 1.236 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891646395 591166320 /nfs/dbraw/zinc/16/63/20/591166320.db2.gz KNUQCSXAQWGZMO-ARFHVFGLSA-N 2 0 338.496 1.317 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000891694761 591187915 /nfs/dbraw/zinc/18/79/15/591187915.db2.gz SWWZBLSIYYSAGP-IKGGRYGDSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000891727265 591200693 /nfs/dbraw/zinc/20/06/93/591200693.db2.gz FYRBCKXWPJYIHH-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892878642 591211508 /nfs/dbraw/zinc/21/15/08/591211508.db2.gz ADTCRPOPUPEXFX-JSGCOSHPSA-N 2 0 349.504 1.639 20 0 EDADRP C[C@@H](NC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)C1=CC[N@H+](C)CC1 ZINC000891766086 591216660 /nfs/dbraw/zinc/21/66/60/591216660.db2.gz RBJRFMIFWCZUJS-KDOFPFPSSA-N 2 0 328.460 1.651 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNc1cc[nH+]cc1CO ZINC000894199166 591224697 /nfs/dbraw/zinc/22/46/97/591224697.db2.gz VOYVCEJQSSJLRF-YLJYHZDGSA-N 2 0 341.455 1.945 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[N@@H+](C3CCOCC3)C[C@H]2C)CC1 ZINC000892932299 591229644 /nfs/dbraw/zinc/22/96/44/591229644.db2.gz FIWVWGWVZGNNHX-OAHLLOKOSA-N 2 0 338.496 1.495 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892938965 591231128 /nfs/dbraw/zinc/23/11/28/591231128.db2.gz VNIXCUSAULPFAU-SJORKVTESA-N 2 0 343.487 1.483 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895626735 591234844 /nfs/dbraw/zinc/23/48/44/591234844.db2.gz VQORYCUAGKFJRP-RTBURBONSA-N 2 0 343.471 1.660 20 0 EDADRP CC[NH+]1CCN(c2nccc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@H]1C ZINC000892971787 591243215 /nfs/dbraw/zinc/24/32/15/591243215.db2.gz UPXYAXYUMKOXDY-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000894274030 591261145 /nfs/dbraw/zinc/26/11/45/591261145.db2.gz XDQWRAYMHHQXGI-QGZVFWFLSA-N 2 0 331.460 1.598 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)c1 ZINC000895767742 591268561 /nfs/dbraw/zinc/26/85/61/591268561.db2.gz ATVWCOHHIYGNNY-LJQANCHMSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)O2 ZINC000895818646 591280559 /nfs/dbraw/zinc/28/05/59/591280559.db2.gz FEFGIUZIRSSOIB-WXSAJPJJSA-N 2 0 340.508 1.784 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc4[nH]c(=O)oc43)CC2)CC1 ZINC000894458743 591317059 /nfs/dbraw/zinc/31/70/59/591317059.db2.gz YUMFKYWPFUVPKS-UHFFFAOYSA-N 2 0 344.459 1.993 20 0 EDADRP CCc1[nH]c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1C(=O)OC ZINC000894484974 591323729 /nfs/dbraw/zinc/32/37/29/591323729.db2.gz VOPKPNZZBOWMRL-CQSZACIVSA-N 2 0 336.480 1.479 20 0 EDADRP Cn1cc([C@H]2C[N@H+](CC3CC[NH+](C)CC3)CC23CCOCC3)cn1 ZINC000894708152 591393787 /nfs/dbraw/zinc/39/37/87/591393787.db2.gz TXCRRLBKRFLHKZ-GOSISDBHSA-N 2 0 332.492 1.958 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)C1C[NH+](C2CCOCC2)C1 ZINC000896355663 591435427 /nfs/dbraw/zinc/43/54/27/591435427.db2.gz WQQVIDVNXCFLRV-UHFFFAOYSA-N 2 0 327.388 1.317 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000897466448 591468252 /nfs/dbraw/zinc/46/82/52/591468252.db2.gz UQKBUZQJCFBIAD-SJORKVTESA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)C[C@H]2C)C1 ZINC000897470589 591472942 /nfs/dbraw/zinc/47/29/42/591472942.db2.gz HAYVWGHUIFYWKB-JKSUJKDBSA-N 2 0 331.464 1.644 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000897515125 591515298 /nfs/dbraw/zinc/51/52/98/591515298.db2.gz JMRZDVVPBZIEGV-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000897517537 591517684 /nfs/dbraw/zinc/51/76/84/591517684.db2.gz AZQVVCVPVHBFTE-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897518869 591520050 /nfs/dbraw/zinc/52/00/50/591520050.db2.gz MYIKUIARMJGVEC-CVEARBPZSA-N 2 0 331.464 1.786 20 0 EDADRP NC(=O)C1([NH+]2CCCCC2)CCN(c2cc(N)[nH+]cc2Cl)CC1 ZINC000895136922 591611413 /nfs/dbraw/zinc/61/14/13/591611413.db2.gz XPNCFYYBHRCXFQ-UHFFFAOYSA-N 2 0 337.855 1.627 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)[C@H]1OC ZINC000895309056 591707936 /nfs/dbraw/zinc/70/79/36/591707936.db2.gz LWIXSFUEIDEWPF-KZNAEPCWSA-N 2 0 326.481 1.659 20 0 EDADRP Cn1cc([C@@]2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)CCCO2)cn1 ZINC000898052934 591756022 /nfs/dbraw/zinc/75/60/22/591756022.db2.gz NXSBDIXLSFZLPE-SFHVURJKSA-N 2 0 338.415 1.796 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895467821 591769050 /nfs/dbraw/zinc/76/90/50/591769050.db2.gz OPINJDBSHAGUIU-CVEARBPZSA-N 2 0 349.500 1.722 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895467773 591769069 /nfs/dbraw/zinc/76/90/69/591769069.db2.gz NXEWPYQQFPDNKR-OALUTQOASA-N 2 0 343.471 1.660 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCN1C1CCOCC1 ZINC000897228615 591778652 /nfs/dbraw/zinc/77/86/52/591778652.db2.gz OGEMCEBSKYWCIF-HNNXBMFYSA-N 2 0 343.427 1.126 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2ccnn2C)CN(Cc2ccccc2)C1 ZINC000897302684 591823887 /nfs/dbraw/zinc/82/38/87/591823887.db2.gz UNYRLROSPUNXTK-SZVBFZGTSA-N 2 0 328.460 1.954 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000899943266 591831876 /nfs/dbraw/zinc/83/18/76/591831876.db2.gz ZRWOASWBBBCRHJ-KRWDZBQOSA-N 2 0 329.448 1.477 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000900009492 591865790 /nfs/dbraw/zinc/86/57/90/591865790.db2.gz JKVWUZFQROJPRN-UHFFFAOYSA-N 2 0 326.529 1.497 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)CCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900080684 591891545 /nfs/dbraw/zinc/89/15/45/591891545.db2.gz QUJDKUDNBWDATC-UHFFFAOYSA-N 2 0 338.540 1.734 20 0 EDADRP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000902201692 591944572 /nfs/dbraw/zinc/94/45/72/591944572.db2.gz OXCOUKKSNATFEV-CQSZACIVSA-N 2 0 335.448 1.040 20 0 EDADRP COCC[C@@H]1CCN(C[NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000902210182 591946237 /nfs/dbraw/zinc/94/62/37/591946237.db2.gz GDOLPMPNDWGUMD-KRWDZBQOSA-N 2 0 325.497 1.883 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900218231 591947193 /nfs/dbraw/zinc/94/71/93/591947193.db2.gz JDSHTTXMTRMJRS-HPFXQQBRSA-N 2 0 325.497 1.316 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@H]2C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900240386 591952260 /nfs/dbraw/zinc/95/22/60/591952260.db2.gz KGLYPEBISBLSQB-IKJBURDNSA-N 2 0 335.492 1.620 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000900285138 591971496 /nfs/dbraw/zinc/97/14/96/591971496.db2.gz IPRZMTRIMGMMKI-FUHWJXTLSA-N 2 0 337.439 1.391 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)C1([NH3+])CC1 ZINC000902316192 591976931 /nfs/dbraw/zinc/97/69/31/591976931.db2.gz AUIKUKZLFWKELS-SECBINFHSA-N 2 0 329.388 1.017 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCC[N@H+](C)C2CCCCC2)CC1 ZINC000900390845 592004272 /nfs/dbraw/zinc/00/42/72/592004272.db2.gz JRJLOWKZSSYNBF-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900455999 592022730 /nfs/dbraw/zinc/02/27/30/592022730.db2.gz HIGRHEGVOLQVIC-GOSISDBHSA-N 2 0 335.448 1.412 20 0 EDADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)C)C1 ZINC000900564664 592053772 /nfs/dbraw/zinc/05/37/72/592053772.db2.gz ZFGRUZCEEDMAOA-HOTGVXAUSA-N 2 0 339.480 1.204 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900685466 592094029 /nfs/dbraw/zinc/09/40/29/592094029.db2.gz TYFMULRWKIJDTJ-SQNIBIBYSA-N 2 0 335.492 1.763 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900731891 592111551 /nfs/dbraw/zinc/11/15/51/592111551.db2.gz QBMFXRHDIVXXCV-ADKAHSJRSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903170673 592133408 /nfs/dbraw/zinc/13/34/08/592133408.db2.gz ANTVXFCZJXJRJO-ROUUACIJSA-N 2 0 335.448 1.450 20 0 EDADRP Cc1cccc(NCCNC(=O)CCN2CC[NH+](C(C)C)CC2)n1 ZINC000900865277 592151173 /nfs/dbraw/zinc/15/11/73/592151173.db2.gz UPGXBAPHNDDEBK-UHFFFAOYSA-N 2 0 333.480 1.334 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C1 ZINC000903425081 592171067 /nfs/dbraw/zinc/17/10/67/592171067.db2.gz QWOSEEWVQIHDDE-GJZGRUSLSA-N 2 0 345.443 1.358 20 0 EDADRP CC[C@@H]1C[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC[C@@H]1[NH3+] ZINC000903450289 592173805 /nfs/dbraw/zinc/17/38/05/592173805.db2.gz SREURTFBLAGDTM-PBHICJAKSA-N 2 0 345.443 1.358 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000900958496 592185090 /nfs/dbraw/zinc/18/50/90/592185090.db2.gz JMRYSIWRWURZFD-MSOLQXFVSA-N 2 0 338.540 1.782 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cccnc1C(F)(F)F)C2 ZINC000903495139 592186739 /nfs/dbraw/zinc/18/67/39/592186739.db2.gz WVLSMSPSWWDEIT-ZOWXZIJZSA-N 2 0 343.349 1.813 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000903494499 592186938 /nfs/dbraw/zinc/18/69/38/592186938.db2.gz HAWFDIYAWVYNFE-SCTDSRPQSA-N 3 0 329.444 1.045 20 0 EDADRP O=C(CCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)Nc1ccccc1 ZINC000903508590 592189490 /nfs/dbraw/zinc/18/94/90/592189490.db2.gz NEKINXXSONIYAZ-KDURUIRLSA-N 2 0 342.487 1.916 20 0 EDADRP O=C(CC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21)N1CC[NH2+]CC1 ZINC000903565413 592212058 /nfs/dbraw/zinc/21/20/58/592212058.db2.gz JYCHMDCGGFJHGV-INIZCTEOSA-N 2 0 329.444 1.844 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C1CC1 ZINC000906651104 592234894 /nfs/dbraw/zinc/23/48/94/592234894.db2.gz POGHGFHXUVDTPI-HNNXBMFYSA-N 2 0 332.448 1.275 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc(C[NH2+]C[C@H]3C[C@@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000904366627 592242435 /nfs/dbraw/zinc/24/24/35/592242435.db2.gz NIADENQIIPHOAS-ILXVDBEPSA-N 2 0 331.460 1.763 20 0 EDADRP COc1cc2c(cc1C[NH+]1CCC3(CO[C@H](C[NH3+])C3)CC1)OCO2 ZINC000904391484 592243256 /nfs/dbraw/zinc/24/32/56/592243256.db2.gz HBFJKTCYMJCXGK-AWEZNQCLSA-N 2 0 334.416 1.754 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc12 ZINC000904392457 592243393 /nfs/dbraw/zinc/24/33/93/592243393.db2.gz REESZJOZHANHRN-OAHLLOKOSA-N 2 0 329.448 1.607 20 0 EDADRP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906671147 592252657 /nfs/dbraw/zinc/25/26/57/592252657.db2.gz PNHJSKORTFYYHS-BBRMVZONSA-N 2 0 330.432 1.169 20 0 EDADRP CN1Cc2ccccc2[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906679197 592260189 /nfs/dbraw/zinc/26/01/89/592260189.db2.gz DVLROBVWUADKDC-QGZVFWFLSA-N 2 0 338.411 1.387 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000906706890 592279530 /nfs/dbraw/zinc/27/95/30/592279530.db2.gz QRHQKASWOYNYKR-HNAYVOBHSA-N 2 0 344.459 1.145 20 0 EDADRP c1ccc(CN2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733241 592281862 /nfs/dbraw/zinc/28/18/62/592281862.db2.gz LIOMNSJMYSLXLC-UXHICEINSA-N 2 0 329.488 1.963 20 0 EDADRP CCN(CC)C(=O)C1([NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903733514 592296847 /nfs/dbraw/zinc/29/68/47/592296847.db2.gz MXUVVKCAGMERGM-SJLPKXTDSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739017 592300008 /nfs/dbraw/zinc/30/00/08/592300008.db2.gz AVVDHCVQVMLRHW-SJLPKXTDSA-N 3 0 339.524 1.170 20 0 EDADRP Cc1ccc(N(C)C2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739155 592300676 /nfs/dbraw/zinc/30/06/76/592300676.db2.gz DDESWLBGJUSAKK-IEBWSBKVSA-N 2 0 345.491 1.454 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000904649778 592303974 /nfs/dbraw/zinc/30/39/74/592303974.db2.gz WWNCZRKVOLRHJB-DLBZAZTESA-N 2 0 332.448 1.645 20 0 EDADRP CNc1nc(C)ccc1C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000901256256 592314482 /nfs/dbraw/zinc/31/44/82/592314482.db2.gz LFSLLYUMGOJKGO-UHFFFAOYSA-N 2 0 343.431 1.697 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000906755794 592316237 /nfs/dbraw/zinc/31/62/37/592316237.db2.gz FNLPLLMRFHGUQE-ZDUSSCGKSA-N 2 0 334.464 1.691 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)c1 ZINC000906758211 592317521 /nfs/dbraw/zinc/31/75/21/592317521.db2.gz SHHIVYRBZZUWNA-UHFFFAOYSA-N 2 0 334.464 1.438 20 0 EDADRP COCC[N@H+](C[C@H]1C[C@]2(CC[NH2+]C2)CO1)CC1CC[NH+](C)CC1 ZINC000903775059 592318375 /nfs/dbraw/zinc/31/83/75/592318375.db2.gz GUITWFRUHBAEAV-MSOLQXFVSA-N 3 0 325.497 1.045 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@@]12CC[NH2+]C2)c1ccccc1 ZINC000903865335 592341208 /nfs/dbraw/zinc/34/12/08/592341208.db2.gz CMZRETIGXCORAV-HKUYNNGSSA-N 2 0 330.476 1.233 20 0 EDADRP O[C@H](CN1CCN(Cc2ccc(Cl)cc2)CC1)C[NH+]1CCCC1 ZINC000906790311 592345394 /nfs/dbraw/zinc/34/53/94/592345394.db2.gz RDMDNOASBIMZKN-SFHVURJKSA-N 2 0 337.895 1.914 20 0 EDADRP CN(CC[NH+]1CCN(c2ccccc2)CC1)C[C@@H]([NH3+])CC(F)F ZINC000903894595 592365627 /nfs/dbraw/zinc/36/56/27/592365627.db2.gz AGCPIFRSAGLLFC-HNNXBMFYSA-N 2 0 326.435 1.723 20 0 EDADRP Cc1nc(C[C@@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)no1 ZINC000903892404 592366246 /nfs/dbraw/zinc/36/62/46/592366246.db2.gz RPEMRASVJHBPRU-JKSUJKDBSA-N 2 0 346.479 1.492 20 0 EDADRP COC(=O)CC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000903898396 592368318 /nfs/dbraw/zinc/36/83/18/592368318.db2.gz LABTWFIAFNPFCH-CQSZACIVSA-N 2 0 335.452 1.558 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000908192271 592369141 /nfs/dbraw/zinc/36/91/41/592369141.db2.gz WAQXZPYCJVWJGH-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP O=C(c1ccc(O)cc1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903904212 592372232 /nfs/dbraw/zinc/37/22/32/592372232.db2.gz RKBXZZKRPPWPMA-ZXFUBFMLSA-N 2 0 329.444 1.681 20 0 EDADRP Cn1ccnc1CN(C[C@H]([NH3+])CC(F)F)[C@H]1CC12CC[NH2+]CC2 ZINC000903905769 592373180 /nfs/dbraw/zinc/37/31/80/592373180.db2.gz NONYDKKFIHLUPL-OLZOCXBDSA-N 2 0 327.423 1.347 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000903909667 592374735 /nfs/dbraw/zinc/37/47/35/592374735.db2.gz WRYPGYQYERWNBJ-IAGOWNOFSA-N 2 0 326.448 1.662 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CNC[C@H]1[NH2+]CCc2ccccc21 ZINC000903918603 592376260 /nfs/dbraw/zinc/37/62/60/592376260.db2.gz COMYHSYKQSMECF-CRAIPNDOSA-N 2 0 326.448 1.179 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cnn1C ZINC000903933653 592384467 /nfs/dbraw/zinc/38/44/67/592384467.db2.gz UVBYGQSUDXTTKC-PWIZWCRZSA-N 2 0 341.503 1.581 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903932787 592385410 /nfs/dbraw/zinc/38/54/10/592385410.db2.gz GZNDPDSHPDEPGK-UHFFFAOYSA-N 3 0 344.503 1.413 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C)(N3CCOCC3)CC2)cnn1C ZINC000903935498 592386093 /nfs/dbraw/zinc/38/60/93/592386093.db2.gz QOWXYMCWJXTIRP-QGZVFWFLSA-N 2 0 349.523 1.033 20 0 EDADRP C[C@H]1CN(Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCCC3)c2)CCO1 ZINC000905062358 592397521 /nfs/dbraw/zinc/39/75/21/592397521.db2.gz XJMOPKCFXGSEEF-QFBILLFUSA-N 2 0 348.487 1.663 20 0 EDADRP Cn1ccc([C@H]2CCCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000903987398 592405903 /nfs/dbraw/zinc/40/59/03/592405903.db2.gz FKSDFTWUFDVFMJ-LSDHHAIUSA-N 2 0 329.452 1.316 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1cc2ccccc2o1)CN1CC[NH+](C)CC1 ZINC000905109753 592410816 /nfs/dbraw/zinc/41/08/16/592410816.db2.gz GFVFHOKVLBQIES-RDJZCZTQSA-N 2 0 331.460 1.939 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)C[C@H](O)c1ccccc1 ZINC000905127591 592428324 /nfs/dbraw/zinc/42/83/24/592428324.db2.gz LTILHTSPGZHUQL-UXPWSPDFSA-N 2 0 348.487 1.562 20 0 EDADRP C[NH+](C)CCOc1ccccc1-c1noc([C@H]2[C@@H]3CC[NH2+]C[C@@H]32)n1 ZINC000904093526 592429832 /nfs/dbraw/zinc/42/98/32/592429832.db2.gz ZSFHPTQAEFIJCL-INWMFGNUSA-N 2 0 328.416 2.000 20 0 EDADRP C[NH+]1CCC2(CCC(NC(=O)C[C@@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000908491458 592508235 /nfs/dbraw/zinc/50/82/35/592508235.db2.gz OJYNTGLYQVBDJV-IBGZPJMESA-N 2 0 337.508 1.604 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908492523 592508626 /nfs/dbraw/zinc/50/86/26/592508626.db2.gz FTYGJZVTADNBQD-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c1ccc(F)cc1)C2 ZINC000905501877 592546167 /nfs/dbraw/zinc/54/61/67/592546167.db2.gz HSIGMZVYNFZELV-IEWDOMPSSA-N 2 0 336.451 1.928 20 0 EDADRP CN(C)c1cc[nH+]c(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000905524194 592560907 /nfs/dbraw/zinc/56/09/07/592560907.db2.gz GIBAUHSGCZIQKE-FQEVSTJZSA-N 2 0 340.471 1.656 20 0 EDADRP C[C@@H]1CN(c2cc(N3C[C@@H](C)[C@H](CC[NH3+])C3)ncn2)C[C@H]1CC[NH3+] ZINC000905697350 592627100 /nfs/dbraw/zinc/62/71/00/592627100.db2.gz WUQPVVRJZWLLRW-KLHDSHLOSA-N 2 0 332.496 1.319 20 0 EDADRP Cc1nn(C)c(Cl)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841088010 592728653 /nfs/dbraw/zinc/72/86/53/592728653.db2.gz UTHVXLMZGWIPLA-UHFFFAOYSA-N 2 0 325.888 1.688 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@@H](C)C1 ZINC000906217807 592760031 /nfs/dbraw/zinc/76/00/31/592760031.db2.gz WQRCMEWSXMRSKF-JKSUJKDBSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccccc2C[NH3+])([NH+](C)C)C1 ZINC000906645910 592865897 /nfs/dbraw/zinc/86/58/97/592865897.db2.gz NBBXZAZANVLKBC-IFXJQAMLSA-N 2 0 346.475 1.711 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000910876606 592899479 /nfs/dbraw/zinc/89/94/79/592899479.db2.gz XEQLNYJYEQJDIP-KRWDZBQOSA-N 2 0 325.497 1.270 20 0 EDADRP CCO[C@@H]1C[NH2+][C@@H](C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000911632389 592969952 /nfs/dbraw/zinc/96/99/52/592969952.db2.gz GCHFPDYRGZLORJ-RCCFBDPRSA-N 2 0 333.476 1.953 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000911665701 592973642 /nfs/dbraw/zinc/97/36/42/592973642.db2.gz SCEWYXFZSZWNHN-KBEGMRNHSA-N 2 0 347.459 1.358 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000736568920 593017881 /nfs/dbraw/zinc/01/78/81/593017881.db2.gz FTFDKISLSCXUJJ-OAHLLOKOSA-N 2 0 343.479 1.230 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CCO1 ZINC000911881404 593030086 /nfs/dbraw/zinc/03/00/86/593030086.db2.gz RAXKMNJYYNFWBC-ATLSCFEFSA-N 2 0 331.460 1.329 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000911913448 593036293 /nfs/dbraw/zinc/03/62/93/593036293.db2.gz CLLIBIXZGBSAGY-VQTJNVASSA-N 2 0 345.487 1.614 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000912350579 593087985 /nfs/dbraw/zinc/08/79/85/593087985.db2.gz FCFNYRGFFJINHL-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CCN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000912399183 593093001 /nfs/dbraw/zinc/09/30/01/593093001.db2.gz TZRBOJZJWINFRU-DAWZGUTISA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000912590622 593106837 /nfs/dbraw/zinc/10/68/37/593106837.db2.gz ADVUBUAPRUKWCU-UHFFFAOYSA-N 2 0 339.524 1.852 20 0 EDADRP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)[C@@H]1COCC12OCCO2 ZINC000817935897 593650285 /nfs/dbraw/zinc/65/02/85/593650285.db2.gz OUJITZLZJHREAO-TWMKSMIVSA-N 2 0 338.492 1.912 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1Cn1cccn1 ZINC000817942671 593650795 /nfs/dbraw/zinc/65/07/95/593650795.db2.gz COFJKUXIDUIBLX-MRXNPFEDSA-N 2 0 343.475 1.496 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@@]3(F)CC[NH+](C(C)(C)C)C3)[C@H]2C1 ZINC000818038991 593659864 /nfs/dbraw/zinc/65/98/64/593659864.db2.gz NUBMJPJOFHFSGN-HDMKZQKVSA-N 2 0 341.471 1.521 20 0 EDADRP CC(C)(C)OC(=O)N1CCC([C@@H](O)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167763 593676590 /nfs/dbraw/zinc/67/65/90/593676590.db2.gz VGIABAKQPZRPBW-XHSDSOJGSA-N 2 0 339.480 1.146 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000818539294 593703963 /nfs/dbraw/zinc/70/39/63/593703963.db2.gz GJZDKTGZILDLMO-HNNXBMFYSA-N 2 0 331.416 1.663 20 0 EDADRP CON(C)C(=O)CC[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000818953884 593730130 /nfs/dbraw/zinc/73/01/30/593730130.db2.gz RDBRIKNUXRCDJX-SFHVURJKSA-N 2 0 348.491 1.365 20 0 EDADRP Cc1ccc([C@H](O)C[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cc1 ZINC000818960466 593730589 /nfs/dbraw/zinc/73/05/89/593730589.db2.gz DYGGNLFDDPVNAZ-LJQANCHMSA-N 2 0 340.471 1.965 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3ccccc3F)ccn2)CC1 ZINC000818960394 593730616 /nfs/dbraw/zinc/73/06/16/593730616.db2.gz CFCDCXKNRBRKLY-SFHVURJKSA-N 2 0 344.434 1.796 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000818973355 593731459 /nfs/dbraw/zinc/73/14/59/593731459.db2.gz WDUPZJLIQNPEFO-HIFRSBDPSA-N 2 0 327.469 1.336 20 0 EDADRP CON(C)C(=O)CC[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000819298697 593749426 /nfs/dbraw/zinc/74/94/26/593749426.db2.gz LVXSAKNWXUXCRQ-UHFFFAOYSA-N 2 0 335.448 1.659 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821626930 593887913 /nfs/dbraw/zinc/88/79/13/593887913.db2.gz GEZVHRWQSQYDSA-UHFFFAOYSA-N 2 0 335.481 1.045 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821626952 593888119 /nfs/dbraw/zinc/88/81/19/593888119.db2.gz GYSLGBXMSKMBAU-UHFFFAOYSA-N 2 0 335.481 1.045 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821808362 593945005 /nfs/dbraw/zinc/94/50/05/593945005.db2.gz FKTDSTYZLKSTEK-ZDUSSCGKSA-N 2 0 328.420 1.449 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000822192068 594006008 /nfs/dbraw/zinc/00/60/08/594006008.db2.gz YAVPQJXFZJDGJK-KGLIPLIRSA-N 2 0 327.436 1.799 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@@]34CC[NH2+]C4)n2)ccn1 ZINC000822861231 594112843 /nfs/dbraw/zinc/11/28/43/594112843.db2.gz BLEXWSOYECNHQU-SUMWQHHRSA-N 2 0 329.404 1.539 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000822861192 594112909 /nfs/dbraw/zinc/11/29/09/594112909.db2.gz BGQRHHQAWBJNFP-KGLIPLIRSA-N 2 0 331.420 1.928 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@H]4CC[NH2+][C@@H]4C)n3)cn2)CC1 ZINC000822956668 594128321 /nfs/dbraw/zinc/12/83/21/594128321.db2.gz NASLTYUJADBAFI-HIFRSBDPSA-N 2 0 342.447 1.739 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000822980942 594131609 /nfs/dbraw/zinc/13/16/09/594131609.db2.gz RMYWVLKQLWYFOT-CABCVRRESA-N 2 0 342.447 1.739 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC000825851328 594262543 /nfs/dbraw/zinc/26/25/43/594262543.db2.gz WDRPNXVTWOIOIG-ZACQAIPSSA-N 2 0 342.447 1.550 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC1CCC([NH+]2CCCCC2)CC1 ZINC000831089167 594553731 /nfs/dbraw/zinc/55/37/31/594553731.db2.gz UPALLVLNAYZCQW-HWOWSKLDSA-N 2 0 325.522 1.995 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)COC1CC[NH+](C)CC1 ZINC000829485140 594623811 /nfs/dbraw/zinc/62/38/11/594623811.db2.gz VWGUKWXUYZDUMJ-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000829584248 594645308 /nfs/dbraw/zinc/64/53/08/594645308.db2.gz XGCPJUVORRDYOW-GOSISDBHSA-N 2 0 336.524 1.203 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@H]2CC[NH+](C)C2)CCOCC1 ZINC000831595339 594686237 /nfs/dbraw/zinc/68/62/37/594686237.db2.gz RGYCJLZSQCIVPA-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP CCO[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000831745587 594698780 /nfs/dbraw/zinc/69/87/80/594698780.db2.gz TVBOTESRDIOWEK-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CS[C@H]1CN(C(=O)Nc2cccc(OCC[NH3+])c2)C[C@H]1[NH+](C)C ZINC000841281431 594880877 /nfs/dbraw/zinc/88/08/77/594880877.db2.gz GCBXTKHCAITXQU-CABCVRRESA-N 2 0 338.477 1.533 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327206 594885397 /nfs/dbraw/zinc/88/53/97/594885397.db2.gz FBDWZYXCRFTKPG-HOTGVXAUSA-N 2 0 346.431 1.153 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898921 594977338 /nfs/dbraw/zinc/97/73/38/594977338.db2.gz QNTBRWALGZGATF-HKUYNNGSSA-N 2 0 346.475 1.186 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(C[C@@H]4CCC[NH2+]4)n3)cn2)CC1 ZINC000843209237 595036409 /nfs/dbraw/zinc/03/64/09/595036409.db2.gz YKEMEXRYUVDDMA-HNNXBMFYSA-N 2 0 342.447 1.568 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000842229916 595046252 /nfs/dbraw/zinc/04/62/52/595046252.db2.gz UGNNLXRVUQSGBX-IAGOWNOFSA-N 2 0 346.475 1.093 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258889 595055259 /nfs/dbraw/zinc/05/52/59/595055259.db2.gz DBXVQYZSFNSGIA-XHSDSOJGSA-N 2 0 340.512 1.104 20 0 EDADRP O=S(=O)(Cc1ccccc1)NCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000843341127 595079600 /nfs/dbraw/zinc/07/96/00/595079600.db2.gz ABCNUVAJUAFWSW-GVDBMIGSSA-N 2 0 337.489 1.084 20 0 EDADRP Cc1ccc(N2CC[C@H]([NH+]3CCC(OCCC[NH3+])CC3)C2=O)cc1 ZINC000843354491 595084752 /nfs/dbraw/zinc/08/47/52/595084752.db2.gz JNSCEXDQSKXYCQ-SFHVURJKSA-N 2 0 331.460 1.930 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000843501677 595133079 /nfs/dbraw/zinc/13/30/79/595133079.db2.gz NQDAEZAVTHUBCN-YESZJQIVSA-N 2 0 335.423 1.238 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172079 595290973 /nfs/dbraw/zinc/29/09/73/595290973.db2.gz VHISJHCLGYCOKV-MSOLQXFVSA-N 2 0 349.450 1.628 20 0 EDADRP FC(F)(F)COc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)nn1 ZINC000848599459 595414908 /nfs/dbraw/zinc/41/49/08/595414908.db2.gz JPPBQJLFTFBSQD-AWEZNQCLSA-N 2 0 330.354 1.993 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000849065098 595476948 /nfs/dbraw/zinc/47/69/48/595476948.db2.gz OPDFKMZHBCNETF-ZBFHGGJFSA-N 2 0 349.454 1.068 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1(SC)CC[NH+](C)CC1 ZINC000849085135 595479800 /nfs/dbraw/zinc/47/98/00/595479800.db2.gz ZBHANFCRDACBKW-AWEZNQCLSA-N 3 0 327.542 1.412 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=[NH2+])Nc2ccccn2)CC1 ZINC000849103570 595482327 /nfs/dbraw/zinc/48/23/27/595482327.db2.gz WRIJBUBMULWWPF-UHFFFAOYSA-N 2 0 346.479 1.645 20 0 EDADRP [NH2+]=C(NC[C@H]1CCCNC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849115976 595484383 /nfs/dbraw/zinc/48/43/83/595484383.db2.gz HNTDSDBHNDGDIA-MRXNPFEDSA-N 2 0 343.475 1.291 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccc(C(F)(F)F)n1 ZINC000849116092 595484639 /nfs/dbraw/zinc/48/46/39/595484639.db2.gz KEAWUROQPGAORK-SNVBAGLBSA-N 2 0 330.358 1.594 20 0 EDADRP C[NH+](C)CCNC(=S)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000849291842 595502684 /nfs/dbraw/zinc/50/26/84/595502684.db2.gz JJSNDONPWVFNLB-KRWDZBQOSA-N 2 0 334.533 1.671 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000852794435 595546497 /nfs/dbraw/zinc/54/64/97/595546497.db2.gz QTAQQBKMDYCFAG-INIZCTEOSA-N 2 0 345.443 1.922 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000852799108 595548982 /nfs/dbraw/zinc/54/89/82/595548982.db2.gz QJCGDBJBSMKYRC-KRWDZBQOSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccc2c1C[NH2+]C2 ZINC000852857649 595579057 /nfs/dbraw/zinc/57/90/57/595579057.db2.gz AGMWNBZLIFLLJY-INIZCTEOSA-N 2 0 329.444 1.663 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000852857766 595579150 /nfs/dbraw/zinc/57/91/50/595579150.db2.gz FHQBWTGRQZEJHN-DOTOQJQBSA-N 2 0 325.497 1.757 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849579932 595580258 /nfs/dbraw/zinc/58/02/58/595580258.db2.gz SWOFHHSGTMPYBW-IAGOWNOFSA-N 2 0 333.480 1.008 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@@H](c2cnn(C)c2)C1 ZINC000849596636 595586353 /nfs/dbraw/zinc/58/63/53/595586353.db2.gz AWOZNVIGSNLRPD-ZWKOTPCHSA-N 2 0 347.507 1.254 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849612222 595596521 /nfs/dbraw/zinc/59/65/21/595596521.db2.gz GXQHVZKTDQSJOE-XIRDDKMYSA-N 2 0 335.496 1.300 20 0 EDADRP CCC1(CC)CCC[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)C1 ZINC000853563082 595805178 /nfs/dbraw/zinc/80/51/78/595805178.db2.gz KGFHYWSXNZEXPV-UHFFFAOYSA-N 2 0 336.480 1.862 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000856431577 595989136 /nfs/dbraw/zinc/98/91/36/595989136.db2.gz SXDTVPJZKNYAKD-MAUKXSAKSA-N 2 0 343.487 1.768 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(N2CCCNC2=O)cc1 ZINC000854231949 596009928 /nfs/dbraw/zinc/00/99/28/596009928.db2.gz PRRRBIFLVUDQRX-RRQGHBQHSA-N 2 0 332.448 1.448 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000861540763 596021033 /nfs/dbraw/zinc/02/10/33/596021033.db2.gz XXRPSYMFULMGRU-AWEZNQCLSA-N 2 0 332.448 1.417 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000861547616 596025114 /nfs/dbraw/zinc/02/51/14/596025114.db2.gz HILWJCJPIVKLCM-GXTWGEPZSA-N 2 0 338.452 1.295 20 0 EDADRP CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000866665255 596284540 /nfs/dbraw/zinc/28/45/40/596284540.db2.gz AQDXQVZVRSPJMW-RTBURBONSA-N 2 0 344.503 1.716 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCCCOc2ccccc2)C1 ZINC000866709591 596304448 /nfs/dbraw/zinc/30/44/48/596304448.db2.gz LEARPUKWUVOVPN-RYQLBKOJSA-N 2 0 345.443 1.713 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc3c(c2)CCC3)C1 ZINC000866714234 596306310 /nfs/dbraw/zinc/30/63/10/596306310.db2.gz JFJJCROFAKVODU-OKZBNKHCSA-N 2 0 327.428 1.542 20 0 EDADRP COc1cccc([C@@H](CNC(=O)CCC23CC(C2)C[NH2+]3)[NH+](C)C)c1 ZINC000870854392 596377980 /nfs/dbraw/zinc/37/79/80/596377980.db2.gz ZCXWNRBLWVGTEC-LTCLLZNKSA-N 2 0 331.460 1.946 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000870914107 596400902 /nfs/dbraw/zinc/40/09/02/596400902.db2.gz JKOJPEIKYPJTHO-QGZVFWFLSA-N 2 0 334.489 1.826 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870932911 596410759 /nfs/dbraw/zinc/41/07/59/596410759.db2.gz LCRSGGVCRJHEFZ-RISCZKNCSA-N 2 0 340.265 1.907 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)c3csc(C4CC[NH2+]CC4)n3)C[C@H]21 ZINC000870939559 596412700 /nfs/dbraw/zinc/41/27/00/596412700.db2.gz XTNHZTPEEWOFPH-MGPQQGTHSA-N 2 0 334.489 1.810 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000870957026 596418023 /nfs/dbraw/zinc/41/80/23/596418023.db2.gz UIWNUYASWZDURQ-OLZOCXBDSA-N 2 0 328.254 1.939 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=S)NC1CC[NH+](C)CC1 ZINC000865242783 596521610 /nfs/dbraw/zinc/52/16/10/596521610.db2.gz HAMZMSGNXUADHC-UHFFFAOYSA-N 2 0 342.553 1.245 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cnc2c(cnn2C)c1)N1CC[NH+](C)CC1 ZINC000865410679 596566301 /nfs/dbraw/zinc/56/63/01/596566301.db2.gz DLQJSDZHVHQSNP-KRWDZBQOSA-N 2 0 330.480 1.330 20 0 EDADRP Cc1nn(C)c(Cl)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000863651634 596644617 /nfs/dbraw/zinc/64/46/17/596644617.db2.gz CSLIGAMQUDMASJ-AWEZNQCLSA-N 2 0 326.872 1.972 20 0 EDADRP C[N@H+](CC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)[C@@H]1CCSC1 ZINC000869815559 596647252 /nfs/dbraw/zinc/64/72/52/596647252.db2.gz QDSCTLJIHIZAIW-QGZVFWFLSA-N 2 0 345.512 1.768 20 0 EDADRP C[C@H](CNC(=O)/C=C\CN1CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000865696447 596652572 /nfs/dbraw/zinc/65/25/72/596652572.db2.gz DIYJLDYYGTTYPD-UXHZXRBQSA-N 2 0 331.460 1.512 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccnc3-n3ccnc3)CC[C@@H]21 ZINC000868029933 596660717 /nfs/dbraw/zinc/66/07/17/596660717.db2.gz FORYFKGRTFWGNY-CVEARBPZSA-N 2 0 340.431 1.503 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(O)c(F)c2)C[C@H]1C[NH+](C)C ZINC000870017508 596709460 /nfs/dbraw/zinc/70/94/60/596709460.db2.gz PMRNLUHWPXTCGE-HUUCEWRRSA-N 2 0 337.439 1.272 20 0 EDADRP COc1cccc(F)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870020842 596711858 /nfs/dbraw/zinc/71/18/58/596711858.db2.gz HKSOIGJIBDXVFK-ZIAGYGMSSA-N 2 0 337.439 1.646 20 0 EDADRP CCc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1O ZINC000870021755 596712441 /nfs/dbraw/zinc/71/24/41/596712441.db2.gz JXNKFXPVEQMMMX-HZPDHXFCSA-N 2 0 333.476 1.766 20 0 EDADRP Cc1n[nH]c(C)c1[C@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022295 596712581 /nfs/dbraw/zinc/71/25/81/596712581.db2.gz RCFSBNRRFMNABH-APHBMKBZSA-N 2 0 335.496 1.328 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CN2CCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870023433 596713069 /nfs/dbraw/zinc/71/30/69/596713069.db2.gz YAYIKSGLXCKODT-QZTJIDSGSA-N 2 0 344.503 1.247 20 0 EDADRP CC[C@@H]1C[C@@H](CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870022706 596713229 /nfs/dbraw/zinc/71/32/29/596713229.db2.gz YIBYPWHGEUGUDQ-BSDSXHPESA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2scnc2Cl)C[C@H]1C[NH+](C)C ZINC000870023274 596713318 /nfs/dbraw/zinc/71/33/18/596713318.db2.gz RDQZJNMCOGFUBR-GHMZBOCLSA-N 2 0 330.885 1.608 20 0 EDADRP COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(OC)c1 ZINC000870024389 596714151 /nfs/dbraw/zinc/71/41/51/596714151.db2.gz AOWLIONEKYCDML-HUUCEWRRSA-N 2 0 349.475 1.515 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+]1CCCC1 ZINC000868224191 596734043 /nfs/dbraw/zinc/73/40/43/596734043.db2.gz DGFBAXKFEUNELT-UHOFOFEASA-N 2 0 330.432 1.040 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+]1C ZINC000868237800 596740213 /nfs/dbraw/zinc/74/02/13/596740213.db2.gz NDSGIIZVYVZDAK-VDNDLQMASA-N 2 0 344.459 1.381 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000864062352 596748610 /nfs/dbraw/zinc/74/86/10/596748610.db2.gz OYAMEMYPXAXIMC-KRWDZBQOSA-N 2 0 335.492 1.574 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000868286258 596766257 /nfs/dbraw/zinc/76/62/57/596766257.db2.gz SHGFAUCVWFHLEJ-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CCn1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1=O ZINC000866040841 596770019 /nfs/dbraw/zinc/77/00/19/596770019.db2.gz JMDHLXVCCWRKTC-HUUCEWRRSA-N 2 0 349.479 1.071 20 0 EDADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000872144046 596809423 /nfs/dbraw/zinc/80/94/23/596809423.db2.gz ARTXJTPCGHBZPH-BZUAXINKSA-N 2 0 346.537 1.951 20 0 EDADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872156187 596815827 /nfs/dbraw/zinc/81/58/27/596815827.db2.gz GAQCZOJMDPXHBM-RDJZCZTQSA-N 2 0 345.553 1.888 20 0 EDADRP C[C@@H](Cc1ccccc1)C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000872257378 596857424 /nfs/dbraw/zinc/85/74/24/596857424.db2.gz QMCRQASOKSZQMR-OWLYRPNTSA-N 2 0 329.444 1.732 20 0 EDADRP C(C(C[N@@H+]1C[C@@H]2COC[C@@H]2C1)C1CCCC1)[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000872319498 596880280 /nfs/dbraw/zinc/88/02/80/596880280.db2.gz IFJMROAATTYESW-FGYAAKKASA-N 2 0 334.504 1.949 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000874252913 596986613 /nfs/dbraw/zinc/98/66/13/596986613.db2.gz HDBSBTAPZYBPFE-MSOLQXFVSA-N 2 0 331.460 1.140 20 0 EDADRP CCC1(CC)CN(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C(=O)O1 ZINC000872636229 597002109 /nfs/dbraw/zinc/00/21/09/597002109.db2.gz JJYYIWRGDJFOHJ-HZPDHXFCSA-N 2 0 340.512 1.626 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2cc(Br)cn2)C[C@H]1C[NH+](C)C ZINC000872637288 597002769 /nfs/dbraw/zinc/00/27/69/597002769.db2.gz ZVJRQFAKBIPSIP-CHWSQXEVSA-N 2 0 344.301 1.274 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cn2nc(C(C)(C)C)ccc2=O)C[C@H]1C[NH+](C)C ZINC000872636963 597002969 /nfs/dbraw/zinc/00/29/69/597002969.db2.gz SSPSTGKSJJYZMU-HZPDHXFCSA-N 2 0 349.523 1.170 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874365653 597036993 /nfs/dbraw/zinc/03/69/93/597036993.db2.gz RUXLTZKAPREFGW-DLBZAZTESA-N 2 0 344.459 1.382 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000874431276 597075050 /nfs/dbraw/zinc/07/50/50/597075050.db2.gz LSBXCNPATWNTMI-ZVZYQTTQSA-N 2 0 346.475 1.869 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)C ZINC000874429462 597075189 /nfs/dbraw/zinc/07/51/89/597075189.db2.gz KHTYSJNWQMNXQZ-QWHCGFSZSA-N 2 0 338.418 1.884 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000874434049 597076642 /nfs/dbraw/zinc/07/66/42/597076642.db2.gz YIRMOSCZDIMCJD-UWWQBHOKSA-N 2 0 346.475 1.869 20 0 EDADRP O=C([C@H]1CCn2ccnc2C1)N1CCN[C@H](c2ccc(F)cc2)C1 ZINC000874889465 597210593 /nfs/dbraw/zinc/21/05/93/597210593.db2.gz KWZUNESBFZCXNG-HOCLYGCPSA-N 2 0 328.391 1.758 20 0 EDADRP CCCN(Cc1cc2c(s1)CC[NH2+]C2)[C@H]1CCS(=O)(=O)C1 ZINC000873201769 597225279 /nfs/dbraw/zinc/22/52/79/597225279.db2.gz WKLZAFNZTXLVED-ZDUSSCGKSA-N 2 0 328.503 1.793 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876520679 597228421 /nfs/dbraw/zinc/22/84/21/597228421.db2.gz NHQJMTMCRHPTCJ-WBMJQRKESA-N 2 0 349.406 1.482 20 0 EDADRP CC[C@H](C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[NH+](C)C ZINC000876520663 597228550 /nfs/dbraw/zinc/22/85/50/597228550.db2.gz MZKIRKCLNOOZEW-HZPDHXFCSA-N 2 0 333.432 1.874 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)nn1 ZINC000873218229 597231523 /nfs/dbraw/zinc/23/15/23/597231523.db2.gz ZVKJEFHPWRBRTG-OWCLPIDISA-N 3 0 326.448 1.204 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228506 597234313 /nfs/dbraw/zinc/23/43/13/597234313.db2.gz FHASRNCRVGBSCS-UPJWGTAASA-N 2 0 337.386 1.225 20 0 EDADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873246875 597238567 /nfs/dbraw/zinc/23/85/67/597238567.db2.gz CNVUZDOYJYEQIW-LBPRGKRZSA-N 2 0 325.420 1.619 20 0 EDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873246874 597238905 /nfs/dbraw/zinc/23/89/05/597238905.db2.gz CNVUZDOYJYEQIW-GFCCVEGCSA-N 2 0 325.420 1.619 20 0 EDADRP OC1(C(F)(F)F)CCC([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291340 597249348 /nfs/dbraw/zinc/24/93/48/597249348.db2.gz KARXDKDPPXCQOQ-JVWICGRDSA-N 2 0 336.398 1.971 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000876711546 597299093 /nfs/dbraw/zinc/29/90/93/597299093.db2.gz ZUVWFHPTCDXGGG-BPQIPLTHSA-N 2 0 349.450 1.896 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000876718647 597303398 /nfs/dbraw/zinc/30/33/98/597303398.db2.gz XOLXHINSWFGSSM-QGZVFWFLSA-N 2 0 345.491 1.816 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876725087 597306263 /nfs/dbraw/zinc/30/62/63/597306263.db2.gz DTTWMYJJAKFHGV-IAGOWNOFSA-N 2 0 331.460 1.955 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876725089 597306518 /nfs/dbraw/zinc/30/65/18/597306518.db2.gz DTTWMYJJAKFHGV-SJORKVTESA-N 2 0 331.460 1.955 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876736492 597313833 /nfs/dbraw/zinc/31/38/33/597313833.db2.gz JNEIATODAGBITI-QZTJIDSGSA-N 2 0 333.451 1.962 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000876737864 597314771 /nfs/dbraw/zinc/31/47/71/597314771.db2.gz VABHPTLASVQXLP-RWXIQHKWSA-N 2 0 335.492 1.642 20 0 EDADRP COC[C@@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C[NH2+]CCO1 ZINC000876753573 597323057 /nfs/dbraw/zinc/32/30/57/597323057.db2.gz HNEPLHROBZMGJO-DNVCBOLYSA-N 2 0 349.475 1.237 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775288 597335164 /nfs/dbraw/zinc/33/51/64/597335164.db2.gz SVUASSIYEFBPFI-HZPDHXFCSA-N 2 0 337.508 1.759 20 0 EDADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000876839856 597354923 /nfs/dbraw/zinc/35/49/23/597354923.db2.gz BEXUCHQCEIXYKZ-AEGPPILISA-N 2 0 325.815 1.761 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000876870588 597363738 /nfs/dbraw/zinc/36/37/38/597363738.db2.gz OUXSXKSKHGWJDI-CHWSQXEVSA-N 2 0 331.338 1.200 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876876407 597365367 /nfs/dbraw/zinc/36/53/67/597365367.db2.gz DTWBUPYYHBRKJN-ZBFHGGJFSA-N 2 0 325.403 1.664 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000876960975 597397343 /nfs/dbraw/zinc/39/73/43/597397343.db2.gz BRFHUKURIHCFKB-SJORKVTESA-N 2 0 330.476 1.783 20 0 EDADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]Cc1cccc(Cl)c1N ZINC000876996411 597407467 /nfs/dbraw/zinc/40/74/67/597407467.db2.gz SXJMDAYROPSJFW-OAHLLOKOSA-N 2 0 338.883 1.955 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)C[C@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000877029066 597416078 /nfs/dbraw/zinc/41/60/78/597416078.db2.gz PORCYKZIBXKONQ-ZDUSSCGKSA-N 2 0 328.844 1.128 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877143585 597442001 /nfs/dbraw/zinc/44/20/01/597442001.db2.gz SHXPWOZJOONUCZ-NUJGCVRESA-N 3 0 332.492 1.193 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CC1 ZINC000877251898 597480221 /nfs/dbraw/zinc/48/02/21/597480221.db2.gz WUJSCJHRLJZIRL-JQHSSLGASA-N 2 0 334.508 1.146 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000877344189 597496664 /nfs/dbraw/zinc/49/66/64/597496664.db2.gz VRVCVELXMBGRCN-PZJWPPBQSA-N 2 0 335.451 1.748 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000877357264 597500077 /nfs/dbraw/zinc/50/00/77/597500077.db2.gz WONJKIITKQGELE-UBHSHLNASA-N 2 0 345.365 1.161 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C(F)(F)F ZINC000877370902 597503473 /nfs/dbraw/zinc/50/34/73/597503473.db2.gz HZETXSLXZKIOOF-KWCYVHTRSA-N 2 0 327.350 1.469 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000877451221 597517395 /nfs/dbraw/zinc/51/73/95/597517395.db2.gz KQFMXDILALVGSW-LSDHHAIUSA-N 2 0 334.489 1.919 20 0 EDADRP Cc1nocc1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000888748223 597520453 /nfs/dbraw/zinc/52/04/53/597520453.db2.gz OVYFUNPHVCBQTL-UHFFFAOYSA-N 2 0 344.419 1.712 20 0 EDADRP COCC[N@@H+](Cc1cc(C(=O)OC)n(C)c1)CC1CC[NH+](C)CC1 ZINC000877664730 597545973 /nfs/dbraw/zinc/54/59/73/597545973.db2.gz UUWLNQWSKYPVNH-UHFFFAOYSA-N 2 0 337.464 1.602 20 0 EDADRP CO[C@H](Cc1ccccc1)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000877745997 597552558 /nfs/dbraw/zinc/55/25/58/597552558.db2.gz FGYMJKIMFJIOID-HXUWFJFHSA-N 2 0 331.504 1.956 20 0 EDADRP C[N@H+](CCCNC(=O)OC(C)(C)C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878114941 597579626 /nfs/dbraw/zinc/57/96/26/597579626.db2.gz AMVILJKZGRRSAM-UHFFFAOYSA-N 2 0 342.484 1.043 20 0 EDADRP CCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000878123840 597580070 /nfs/dbraw/zinc/58/00/70/597580070.db2.gz ACHMKQGXFSMDEJ-NXHRZFHOSA-N 2 0 337.508 1.722 20 0 EDADRP CN(CC[N@H+](C)C[C@@H](O)C[C@@H](O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000878311711 597594683 /nfs/dbraw/zinc/59/46/83/597594683.db2.gz VMAUSIFYDXOROM-VQTJNVASSA-N 2 0 349.519 1.429 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000878426370 597600965 /nfs/dbraw/zinc/60/09/65/597600965.db2.gz ZJWOZWLLNOSIRX-TYILLQQXSA-N 2 0 331.460 1.740 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@@H]1CCSC1 ZINC000881473865 597630965 /nfs/dbraw/zinc/63/09/65/597630965.db2.gz BHQOAWCRFIQVLH-JKSUJKDBSA-N 2 0 341.521 1.183 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(F)nc2F)C[C@H]1C[NH+](C)C ZINC000879652816 597674808 /nfs/dbraw/zinc/67/48/08/597674808.db2.gz ICOVZDFFVIVVNX-VXGBXAGGSA-N 2 0 341.406 1.563 20 0 EDADRP O=C(NCCCCn1ccnc1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883174743 597676838 /nfs/dbraw/zinc/67/68/38/597676838.db2.gz RQBBGXPYWJGHQY-KRWDZBQOSA-N 2 0 349.479 1.606 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ncccc2C)CC1 ZINC000878689511 597680218 /nfs/dbraw/zinc/68/02/18/597680218.db2.gz IRCWMYAJMSDCQZ-UHFFFAOYSA-N 2 0 333.480 1.334 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1)C(C)C ZINC000883289686 597701484 /nfs/dbraw/zinc/70/14/84/597701484.db2.gz XAQHNJYZQUOCQY-QGZVFWFLSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(n2)CCC3)C[C@H]1C[NH+](C)C ZINC000879818895 597729607 /nfs/dbraw/zinc/72/96/07/597729607.db2.gz MOTFXUWOPSLVJS-HZPDHXFCSA-N 2 0 345.491 1.773 20 0 EDADRP CC(C)OC(=O)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000878847710 597733704 /nfs/dbraw/zinc/73/37/04/597733704.db2.gz YZPKFCNOQXGXSL-OAHLLOKOSA-N 2 0 327.469 1.153 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000883433376 597744889 /nfs/dbraw/zinc/74/48/89/597744889.db2.gz OMJZUYPNQIJDAL-SQNIBIBYSA-N 2 0 338.492 1.933 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC[N@@H+]1C ZINC000883456796 597755613 /nfs/dbraw/zinc/75/56/13/597755613.db2.gz JKEDWIPYLGXYMN-OIISXLGYSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879247010 597863536 /nfs/dbraw/zinc/86/35/36/597863536.db2.gz ZWIINIGOYFZWBJ-HKUYNNGSSA-N 2 0 331.460 1.395 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884237211 598038870 /nfs/dbraw/zinc/03/88/70/598038870.db2.gz UUBHVZANNSXBSV-INIZCTEOSA-N 2 0 346.475 1.903 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884245265 598041578 /nfs/dbraw/zinc/04/15/78/598041578.db2.gz SKHLOKIYVOWCBR-NDMJEZRESA-N 2 0 326.238 1.645 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000884291138 598056946 /nfs/dbraw/zinc/05/69/46/598056946.db2.gz QKDOWOSIALCFIB-MRXNPFEDSA-N 2 0 331.460 1.747 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c(F)c1 ZINC000884385414 598088764 /nfs/dbraw/zinc/08/87/64/598088764.db2.gz LSPBHYGQXPYOSZ-UHFFFAOYSA-N 2 0 343.406 1.019 20 0 EDADRP C[C@H](CCNC(=O)C(=O)NCCC(C)(C)[NH3+])[N@H+](C)Cc1ccccc1 ZINC000884510365 598124746 /nfs/dbraw/zinc/12/47/46/598124746.db2.gz DYNOVOFYHUMYHI-OAHLLOKOSA-N 2 0 348.491 1.257 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995017530 699983666 /nfs/dbraw/zinc/98/36/66/699983666.db2.gz VXBHIGFNHBBQTF-LSDHHAIUSA-N 2 0 347.463 1.381 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914183498 695261057 /nfs/dbraw/zinc/26/10/57/695261057.db2.gz XFCDXVJCHZBLQM-NVXWUHKLSA-N 2 0 340.512 1.515 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ncccn3)[C@H]2C1 ZINC000992904976 695440843 /nfs/dbraw/zinc/44/08/43/695440843.db2.gz IHUHYZCEGOUURC-YESZJQIVSA-N 2 0 343.475 1.289 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1CCCO ZINC000993800684 696377796 /nfs/dbraw/zinc/37/77/96/696377796.db2.gz AGFWXBCYLZACGI-VQIMIIECSA-N 2 0 347.503 1.756 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994253970 696656715 /nfs/dbraw/zinc/65/67/15/696656715.db2.gz OVDJQGHXJHFOBP-NVXWUHKLSA-N 2 0 345.491 1.293 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940008575 700110329 /nfs/dbraw/zinc/11/03/29/700110329.db2.gz ULFRAHOEENYNCK-HNNXBMFYSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)oc1C ZINC000940008413 700110396 /nfs/dbraw/zinc/11/03/96/700110396.db2.gz MREDETLRHNJLJH-HNNXBMFYSA-N 2 0 334.464 1.856 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001031579641 697275092 /nfs/dbraw/zinc/27/50/92/697275092.db2.gz IXMKNWDRHVDNOV-SFHVURJKSA-N 2 0 331.460 1.475 20 0 EDADRP CC(=O)Nc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@H+]3C)C2)c1 ZINC001031580862 697278505 /nfs/dbraw/zinc/27/85/05/697278505.db2.gz XHMUESSMSIRQPM-GOSISDBHSA-N 2 0 344.459 1.287 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000924021138 697288315 /nfs/dbraw/zinc/28/83/15/697288315.db2.gz KJMSDTYWALIAPV-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031665725 697446323 /nfs/dbraw/zinc/44/63/23/697446323.db2.gz FPCYWRRNVSAVPS-LJQANCHMSA-N 2 0 345.487 1.600 20 0 EDADRP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675459 697485718 /nfs/dbraw/zinc/48/57/18/697485718.db2.gz IYKNSKWVFBDSFM-HXUWFJFHSA-N 2 0 341.499 1.927 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675886 697488437 /nfs/dbraw/zinc/48/84/37/697488437.db2.gz VOUATJBZGCSOSS-IBGZPJMESA-N 2 0 343.471 1.585 20 0 EDADRP Cc1cnc([C@@H](C)N2CC(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001031681320 697504446 /nfs/dbraw/zinc/50/44/46/697504446.db2.gz MTQHKTGOTLYKIX-IIAWOOMASA-N 2 0 331.464 1.234 20 0 EDADRP CC[N@@H+]1C[C@H](C)[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000921406546 697594822 /nfs/dbraw/zinc/59/48/22/697594822.db2.gz KOWGEZWKMGSTRW-USXIJHARSA-N 2 0 333.480 1.714 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2cnccc2C)C1 ZINC001031711011 697715577 /nfs/dbraw/zinc/71/55/77/697715577.db2.gz BOWPHMXPDIFHCE-GOSISDBHSA-N 2 0 330.476 1.812 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCC2CCOCC2)C1 ZINC001031713749 697735576 /nfs/dbraw/zinc/73/55/76/697735576.db2.gz DXRXGQRPSQAGSC-SFHVURJKSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001031729621 698055570 /nfs/dbraw/zinc/05/55/70/698055570.db2.gz RDBZVVXQZSSERG-SJORKVTESA-N 2 0 325.497 1.437 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000943517071 698431030 /nfs/dbraw/zinc/43/10/30/698431030.db2.gz OACXDAYBWOFMDF-MAUKXSAKSA-N 2 0 333.476 1.835 20 0 EDADRP CC1([NH2+]C[C@H]2CCCOC2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115558 700230556 /nfs/dbraw/zinc/23/05/56/700230556.db2.gz MFDKZFFYVOMBSJ-AEFFLSMTSA-N 2 0 349.519 1.726 20 0 EDADRP CC1([NH2+]Cc2csnn2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115703 700231001 /nfs/dbraw/zinc/23/10/01/700231001.db2.gz SQOOPOAFSVHAHR-HNNXBMFYSA-N 2 0 349.504 1.351 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CCCC1 ZINC000237952737 698524175 /nfs/dbraw/zinc/52/41/75/698524175.db2.gz HMXQAROXVKQLAV-UHFFFAOYSA-N 2 0 331.416 1.805 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@H]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC000995151848 701552087 /nfs/dbraw/zinc/55/20/87/701552087.db2.gz JCCUAYWMYHRKEI-STQMWFEESA-N 2 0 333.461 1.792 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)nn1C ZINC000939064613 699132077 /nfs/dbraw/zinc/13/20/77/699132077.db2.gz ZLVFSQHGDPZDQO-CXAGYDPISA-N 2 0 333.480 1.007 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@@H]1CCn2ccnc2C1 ZINC001031783977 699213166 /nfs/dbraw/zinc/21/31/66/699213166.db2.gz JJDHTOYGXHNCRV-HZPDHXFCSA-N 2 0 332.448 1.063 20 0 EDADRP CCn1cc(CC[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001031813029 699488483 /nfs/dbraw/zinc/48/84/83/699488483.db2.gz OAXNGVDMJVQZOI-UHFFFAOYSA-N 2 0 345.491 1.122 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCCCO2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817729 699534830 /nfs/dbraw/zinc/53/48/30/699534830.db2.gz QPQDNEMLUQSYPY-KRWDZBQOSA-N 2 0 328.416 1.565 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604421 701593799 /nfs/dbraw/zinc/59/37/99/701593799.db2.gz ZIYSRWCRZICABS-SJLPKXTDSA-N 2 0 334.508 1.242 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)on1 ZINC000939386828 699539516 /nfs/dbraw/zinc/53/95/16/699539516.db2.gz DKSIVSJNUHJLIJ-RHSMWYFYSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939398788 699548124 /nfs/dbraw/zinc/54/81/24/699548124.db2.gz RCMQWLTXKHEHDA-RHSMWYFYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC000939424529 699574244 /nfs/dbraw/zinc/57/42/44/699574244.db2.gz XQMMRAIMWLGAIK-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(CN[C@H]2CN(C(=O)Cc3cncn3C)C[C@H]2C)c(C)o1 ZINC000939533974 699672058 /nfs/dbraw/zinc/67/20/58/699672058.db2.gz HHOUOPCNFAVVES-BZNIZROVSA-N 2 0 331.420 1.204 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939549750 699682336 /nfs/dbraw/zinc/68/23/36/699682336.db2.gz CJQAFSMJVZXNMK-CJNGLKHVSA-N 2 0 342.447 1.131 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544271 699685615 /nfs/dbraw/zinc/68/56/15/699685615.db2.gz IVOVKESQVQJSDB-TZMCWYRMSA-N 2 0 334.489 1.484 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939550335 699699242 /nfs/dbraw/zinc/69/92/42/699699242.db2.gz IQZOFCQCOBFVOY-DOMZBBRYSA-N 2 0 343.431 1.694 20 0 EDADRP CCc1nocc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165447 701611262 /nfs/dbraw/zinc/61/12/62/701611262.db2.gz DZGIRVMAMIDPEE-GDBMZVCRSA-N 2 0 346.475 1.707 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)CC2)C1 ZINC000941676623 701615539 /nfs/dbraw/zinc/61/55/39/701615539.db2.gz BGCOYAQVWREPQB-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c(C)s1 ZINC000939753014 699902342 /nfs/dbraw/zinc/90/23/42/699902342.db2.gz CKVUGYYPBWRQPK-MLGOLLRUSA-N 2 0 336.505 1.792 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ncc(Cl)n1C ZINC000939756539 699922903 /nfs/dbraw/zinc/92/29/03/699922903.db2.gz VBDDRMVYNQHHQJ-CHWSQXEVSA-N 2 0 339.871 1.106 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)c1ccc2c[nH+]cn2c1 ZINC001031849874 699933474 /nfs/dbraw/zinc/93/34/74/699933474.db2.gz FHUCGCPBSHDMON-HNNXBMFYSA-N 2 0 342.443 1.813 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939808136 699957054 /nfs/dbraw/zinc/95/70/54/699957054.db2.gz BYINMNNWMRTEDU-RDJZCZTQSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939808867 699957570 /nfs/dbraw/zinc/95/75/70/699957570.db2.gz GUHHORBKUZKFKW-SJLPKXTDSA-N 2 0 347.507 1.275 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000940150553 700278736 /nfs/dbraw/zinc/27/87/36/700278736.db2.gz XQKDDYDYOHXGFX-KRWDZBQOSA-N 2 0 347.507 1.714 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1)C1CC1 ZINC000940149931 700283148 /nfs/dbraw/zinc/28/31/48/700283148.db2.gz RZMVCSWTGRZYDW-OAHLLOKOSA-N 2 0 336.505 1.954 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)cn2)CC1)[NH+](C)C ZINC000940176597 700309185 /nfs/dbraw/zinc/30/91/85/700309185.db2.gz MVDVVCCPGYXYNO-MRXNPFEDSA-N 2 0 333.480 1.596 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940179280 700313362 /nfs/dbraw/zinc/31/33/62/700313362.db2.gz SPALUYPBQNGUMK-MRXNPFEDSA-N 2 0 347.507 1.858 20 0 EDADRP Cn1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000995051110 700330463 /nfs/dbraw/zinc/33/04/63/700330463.db2.gz AXYGNJYSYNQHMA-CABCVRRESA-N 2 0 348.495 1.064 20 0 EDADRP Cc1ncsc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995167199 701634538 /nfs/dbraw/zinc/63/45/38/701634538.db2.gz IHQUTYQNGULOFW-LSDHHAIUSA-N 2 0 348.516 1.922 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001031875360 700373952 /nfs/dbraw/zinc/37/39/52/700373952.db2.gz PAXUWMHSUAZSSN-INIZCTEOSA-N 2 0 345.487 1.489 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)CC[N@@H+]1C ZINC000940282249 700471240 /nfs/dbraw/zinc/47/12/40/700471240.db2.gz KOMOBZKLVYGJDQ-GJZGRUSLSA-N 2 0 334.464 1.876 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940329759 700509439 /nfs/dbraw/zinc/50/94/39/700509439.db2.gz YLKJKRHOIJRPRG-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000940329674 700509567 /nfs/dbraw/zinc/50/95/67/700509567.db2.gz WMMCXLIDSGFOIY-CQSZACIVSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067652 700529702 /nfs/dbraw/zinc/52/97/02/700529702.db2.gz ADFUZGDWUMJMEO-RDJZCZTQSA-N 2 0 345.491 1.501 20 0 EDADRP COc1cccc(C[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC000940353452 700537184 /nfs/dbraw/zinc/53/71/84/700537184.db2.gz OXICSFLZBGWVII-UHFFFAOYSA-N 2 0 343.431 1.527 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1 ZINC000940363936 700544801 /nfs/dbraw/zinc/54/48/01/700544801.db2.gz MJQNHMPNBBFYLY-MRXNPFEDSA-N 2 0 349.479 1.803 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000940426065 700619602 /nfs/dbraw/zinc/61/96/02/700619602.db2.gz DNVSZUPWPVSEMV-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940426036 700619704 /nfs/dbraw/zinc/61/97/04/700619704.db2.gz CSLZGCMDQUCAEP-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1 ZINC000995076729 700651934 /nfs/dbraw/zinc/65/19/34/700651934.db2.gz FMKLIXPFYLEDAM-ZBFHGGJFSA-N 2 0 348.495 1.014 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472770 700658048 /nfs/dbraw/zinc/65/80/48/700658048.db2.gz WWFHCYZZAAEUJT-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3cscn3)C2)CC1 ZINC000995077890 700679206 /nfs/dbraw/zinc/67/92/06/700679206.db2.gz IRZOVUDRGZJFGI-DZGCQCFKSA-N 2 0 336.505 1.859 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nncs3)C2)CC1 ZINC000995077884 700679226 /nfs/dbraw/zinc/67/92/26/700679226.db2.gz IRJGTZNRXAWEBZ-OCCSQVGLSA-N 2 0 337.493 1.254 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995082018 700700494 /nfs/dbraw/zinc/70/04/94/700700494.db2.gz XAAMHRHZUSDMGB-CRAIPNDOSA-N 2 0 345.491 1.501 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995168577 701664422 /nfs/dbraw/zinc/66/44/22/701664422.db2.gz OXCYMXAXXOLZIL-DOTOQJQBSA-N 2 0 345.491 1.199 20 0 EDADRP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940620713 700781608 /nfs/dbraw/zinc/78/16/08/700781608.db2.gz JGHNARSTVZDXJO-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cn(C(C)(C)C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)cn1 ZINC000940836962 700934742 /nfs/dbraw/zinc/93/47/42/700934742.db2.gz PGSHRBIXEUEZIP-HNNXBMFYSA-N 2 0 336.480 1.526 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940990861 701044004 /nfs/dbraw/zinc/04/40/04/701044004.db2.gz CFRPHNUPNCKSHK-HNNXBMFYSA-N 2 0 337.464 1.818 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)cc1 ZINC001031919571 701048609 /nfs/dbraw/zinc/04/86/09/701048609.db2.gz DPNWELBCTMKWKW-IBGZPJMESA-N 2 0 345.487 1.652 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000941027523 701067356 /nfs/dbraw/zinc/06/73/56/701067356.db2.gz HINWBWGSAROFPP-OAHLLOKOSA-N 2 0 325.497 1.317 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC[C@@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001031925795 701126727 /nfs/dbraw/zinc/12/67/27/701126727.db2.gz NVTCZSKEBRYBIC-SZMVWBNQSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cncs2)C1)C12CC[NH+](CC1)C2 ZINC000995171266 701694144 /nfs/dbraw/zinc/69/41/44/701694144.db2.gz ZOPFMWNRGTZIHH-KBPBESRZSA-N 2 0 334.489 1.613 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](Cc3ccc(CO)cc3)C2)CC[N@@H+]1C ZINC001031926278 701164625 /nfs/dbraw/zinc/16/46/25/701164625.db2.gz YLAITLMDJDCUKD-KXBFYZLASA-N 2 0 345.487 1.457 20 0 EDADRP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166013 701377091 /nfs/dbraw/zinc/37/70/91/701377091.db2.gz DCPGTUXQIBZJLN-SJORKVTESA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221287 701411731 /nfs/dbraw/zinc/41/17/31/701411731.db2.gz PGKWKYQBHULKOL-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CC3CCOCC3)CC2(C)C)C1 ZINC000941221284 701411735 /nfs/dbraw/zinc/41/17/35/701411735.db2.gz PGKWKYQBHULKOL-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)CC1 ZINC000995131807 701415322 /nfs/dbraw/zinc/41/53/22/701415322.db2.gz GUBMJNREVFAVTI-JKSUJKDBSA-N 2 0 334.464 1.781 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941237399 701428092 /nfs/dbraw/zinc/42/80/92/701428092.db2.gz MSMPGSRTVJCSIW-SFHVURJKSA-N 2 0 347.503 1.961 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC000999172250 706603538 /nfs/dbraw/zinc/60/35/38/706603538.db2.gz FZEFJAFUPPPXFL-SJLPKXTDSA-N 2 0 345.491 1.151 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941404678 701518952 /nfs/dbraw/zinc/51/89/52/701518952.db2.gz MXMKMMRAKOLPQH-LJQANCHMSA-N 2 0 348.535 1.488 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1)[NH+](C)C ZINC000941444039 701535812 /nfs/dbraw/zinc/53/58/12/701535812.db2.gz BCTGDNHGHZNZMR-SFHVURJKSA-N 2 0 336.524 1.201 20 0 EDADRP CC[C@H](C)C[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000941437007 701540239 /nfs/dbraw/zinc/54/02/39/701540239.db2.gz NZHJHXCZMBFCLJ-YJBOKZPZSA-N 2 0 336.524 1.201 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001032130598 701843984 /nfs/dbraw/zinc/84/39/84/701843984.db2.gz WVPCMKNMDIFZHX-QGZVFWFLSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1cccc(OCC[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001032131445 701853189 /nfs/dbraw/zinc/85/31/89/701853189.db2.gz LITGVLYLSOFLMJ-UHFFFAOYSA-N 2 0 343.471 1.518 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3cc[nH]c3c2)C1 ZINC001031976530 701966156 /nfs/dbraw/zinc/96/61/56/701966156.db2.gz OAJYPPFPUIZVFN-KBXCAEBGSA-N 2 0 340.471 1.914 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189944 706632630 /nfs/dbraw/zinc/63/26/30/706632630.db2.gz ORPGKHDWYKSTRA-OWCLPIDISA-N 2 0 348.491 1.966 20 0 EDADRP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031977122 702011682 /nfs/dbraw/zinc/01/16/82/702011682.db2.gz WZAVOFBVUKZTNZ-APWZRJJASA-N 2 0 345.487 1.620 20 0 EDADRP Cc1ccc(F)cc1C[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)C1 ZINC001031977537 702024078 /nfs/dbraw/zinc/02/40/78/702024078.db2.gz CQPITPPVYRGGJU-KBXCAEBGSA-N 2 0 333.451 1.880 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995894854 702197603 /nfs/dbraw/zinc/19/76/03/702197603.db2.gz KXURGRGUARTIQX-RDJZCZTQSA-N 2 0 347.507 1.570 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000995887147 702225490 /nfs/dbraw/zinc/22/54/90/702225490.db2.gz PBUSBVVRUMSLTE-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1)[NH+](C)C ZINC000995921795 702244196 /nfs/dbraw/zinc/24/41/96/702244196.db2.gz CFUOXSMDUZDNQO-HOTGVXAUSA-N 2 0 335.496 1.333 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)n1 ZINC000995923554 702248466 /nfs/dbraw/zinc/24/84/66/702248466.db2.gz HPVIHFWCRBMANZ-SJORKVTESA-N 2 0 349.523 1.816 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)[NH+](C)C ZINC000995946117 702292582 /nfs/dbraw/zinc/29/25/82/702292582.db2.gz GKJYWQTVXQKSSY-OLZOCXBDSA-N 2 0 325.482 1.205 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnoc3C)C2)CC[N@@H+]1C ZINC000999206277 706659776 /nfs/dbraw/zinc/65/97/76/706659776.db2.gz IRQPKEVGVIXNHW-YESZJQIVSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995986627 702348022 /nfs/dbraw/zinc/34/80/22/702348022.db2.gz ZCUCWHLDANDCQY-HOCLYGCPSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000995986444 702348616 /nfs/dbraw/zinc/34/86/16/702348616.db2.gz YHXVWYFJUCXBLY-JKSUJKDBSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnns3)C2)CC[N@@H+]1C ZINC000999211004 706663783 /nfs/dbraw/zinc/66/37/83/706663783.db2.gz WOYNSGOFWQFYOZ-AEGPPILISA-N 2 0 337.493 1.349 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000942052855 702483824 /nfs/dbraw/zinc/48/38/24/702483824.db2.gz HLKXSPBSICJDSX-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC[C@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996224503 702634109 /nfs/dbraw/zinc/63/41/09/702634109.db2.gz WNJDUDOEWKOLGP-RDJZCZTQSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995211749 702698642 /nfs/dbraw/zinc/69/86/42/702698642.db2.gz OBQXKLPTDCFSHH-GJZGRUSLSA-N 2 0 336.505 1.922 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1)[NH+](C)C ZINC000996316458 702704242 /nfs/dbraw/zinc/70/42/42/702704242.db2.gz ZLMXZTQCWMGXHA-JKSUJKDBSA-N 2 0 336.455 1.888 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213413 702711692 /nfs/dbraw/zinc/71/16/92/702711692.db2.gz QGXYZZLJXFRCKW-DOTOQJQBSA-N 2 0 333.480 1.199 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC000996463535 702791179 /nfs/dbraw/zinc/79/11/79/702791179.db2.gz HQVAREAYVVPMQO-GOSISDBHSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500578 702839533 /nfs/dbraw/zinc/83/95/33/702839533.db2.gz GXZKAFIALZQRGG-WBVHZDCISA-N 2 0 346.475 1.938 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996525889 702842561 /nfs/dbraw/zinc/84/25/61/702842561.db2.gz MPTIXQVUYSESEM-INIZCTEOSA-N 2 0 343.475 1.207 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000996520766 702856666 /nfs/dbraw/zinc/85/66/66/702856666.db2.gz QAHZSHPRVOOKJE-JKSUJKDBSA-N 2 0 335.492 1.335 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1)c1csnn1 ZINC000996562222 702876074 /nfs/dbraw/zinc/87/60/74/702876074.db2.gz WTLBWFBJGLWEBI-DOMZBBRYSA-N 2 0 349.504 1.522 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)sn1 ZINC000996605272 702914796 /nfs/dbraw/zinc/91/47/96/702914796.db2.gz CHVUGVGDUVLPSD-CZUORRHYSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)s1 ZINC000996610799 702915798 /nfs/dbraw/zinc/91/57/98/702915798.db2.gz KUPUYCAMEURZKP-KBPBESRZSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996610823 702916108 /nfs/dbraw/zinc/91/61/08/702916108.db2.gz KVLFOXMFVFBIJL-ZFWWWQNUSA-N 2 0 336.505 1.730 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996612432 702917683 /nfs/dbraw/zinc/91/76/83/702917683.db2.gz QXOSVECEHBXVQD-KRWDZBQOSA-N 2 0 348.491 1.968 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996613241 702918371 /nfs/dbraw/zinc/91/83/71/702918371.db2.gz UWWHOAKBXBNNGG-OAHLLOKOSA-N 2 0 333.480 1.325 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996666386 702963180 /nfs/dbraw/zinc/96/31/80/702963180.db2.gz QCOPBQLHMJONPC-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)n1 ZINC000996667055 702963794 /nfs/dbraw/zinc/96/37/94/702963794.db2.gz SCELREAZIZOLHA-UHFFFAOYSA-N 2 0 347.507 1.565 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996664755 702967151 /nfs/dbraw/zinc/96/71/51/702967151.db2.gz IQPOLIMABUWTGN-UHFFFAOYSA-N 2 0 333.480 1.468 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC000996665608 702968145 /nfs/dbraw/zinc/96/81/45/702968145.db2.gz NHSLEVBZERHMKS-UHFFFAOYSA-N 2 0 348.495 1.424 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000996665753 702968188 /nfs/dbraw/zinc/96/81/88/702968188.db2.gz ZFEMVILHBOTBQB-CJNGLKHVSA-N 2 0 348.495 1.629 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996680914 702979451 /nfs/dbraw/zinc/97/94/51/702979451.db2.gz WMZKDWCXLUVUBT-NHYWBVRUSA-N 2 0 335.452 1.360 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)o1 ZINC000996711931 703006821 /nfs/dbraw/zinc/00/68/21/703006821.db2.gz JQAVFABNDNPQEA-MRXNPFEDSA-N 2 0 337.464 1.554 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996761921 703053618 /nfs/dbraw/zinc/05/36/18/703053618.db2.gz IMACYJNAFCZRPL-UHFFFAOYSA-N 2 0 338.415 1.425 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)o1 ZINC000942598129 703113260 /nfs/dbraw/zinc/11/32/60/703113260.db2.gz RSUKPJPLXURPTA-CXAGYDPISA-N 2 0 334.464 1.651 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996945982 703214724 /nfs/dbraw/zinc/21/47/24/703214724.db2.gz MGAURKBHRJSRGN-UHFFFAOYSA-N 2 0 346.475 1.513 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000996966993 703226521 /nfs/dbraw/zinc/22/65/21/703226521.db2.gz YTYTUGQODMQHMO-WMLDXEAASA-N 2 0 333.480 1.704 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996977332 703242179 /nfs/dbraw/zinc/24/21/79/703242179.db2.gz IDMVFTYUIFORJW-CJNGLKHVSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1)c1nncn1C ZINC000996996880 703260688 /nfs/dbraw/zinc/26/06/88/703260688.db2.gz BETMCEKWBZSPET-AWEZNQCLSA-N 2 0 348.495 1.189 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nc1 ZINC000997005752 703263042 /nfs/dbraw/zinc/26/30/42/703263042.db2.gz JYZFJZGUZBQDHA-CQSZACIVSA-N 2 0 331.464 1.207 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997007132 703264511 /nfs/dbraw/zinc/26/45/11/703264511.db2.gz OVIPHPLZNIQEKJ-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)[nH]1 ZINC000997007858 703265145 /nfs/dbraw/zinc/26/51/45/703265145.db2.gz QZQRQUNVCFLQDD-UONOGXRCSA-N 2 0 348.495 1.351 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997008017 703265506 /nfs/dbraw/zinc/26/55/06/703265506.db2.gz TZZUEQJPTZXXEC-ZDUSSCGKSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000997009334 703270026 /nfs/dbraw/zinc/27/00/26/703270026.db2.gz KMEPUAPMTJHNBG-KRWDZBQOSA-N 2 0 336.480 1.966 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nnc3n2CCCC3)CC1)[NH+](C)C ZINC000997011392 703271540 /nfs/dbraw/zinc/27/15/40/703271540.db2.gz YYYZNGNDCPAIMQ-HNNXBMFYSA-N 2 0 348.495 1.035 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1ncccn1 ZINC000997056478 703302214 /nfs/dbraw/zinc/30/22/14/703302214.db2.gz FLJVLRXWTYSJHJ-HNNXBMFYSA-N 2 0 345.491 1.850 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC1 ZINC000997057040 703302571 /nfs/dbraw/zinc/30/25/71/703302571.db2.gz IEOCUJKHXHPLSH-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997060180 703305448 /nfs/dbraw/zinc/30/54/48/703305448.db2.gz FWXPJZSLXHDMMU-MRXNPFEDSA-N 2 0 335.452 1.413 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC000997086608 703332363 /nfs/dbraw/zinc/33/23/63/703332363.db2.gz AHFHALAXFDUNIY-FUHWJXTLSA-N 2 0 345.491 1.518 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CC1 ZINC000997115231 703368899 /nfs/dbraw/zinc/36/88/99/703368899.db2.gz KOHOVWKPHPDYMG-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000997260815 703539946 /nfs/dbraw/zinc/53/99/46/703539946.db2.gz LSUJPFMTKACLCU-IIDMSEBBSA-N 2 0 345.491 1.849 20 0 EDADRP CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000997301272 703544605 /nfs/dbraw/zinc/54/46/05/703544605.db2.gz DIYKFYLZQFHHKE-UHFFFAOYSA-N 2 0 347.507 1.815 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000997311165 703567677 /nfs/dbraw/zinc/56/76/77/703567677.db2.gz XJGRTICMCVTAQE-MRXNPFEDSA-N 2 0 346.475 1.131 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997359200 703589852 /nfs/dbraw/zinc/58/98/52/703589852.db2.gz GTSACRHWLVHMCI-KBPBESRZSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997611951 703909491 /nfs/dbraw/zinc/90/94/91/703909491.db2.gz IJUNATYNDFEMEW-WFASDCNBSA-N 2 0 335.452 1.361 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553174 703964787 /nfs/dbraw/zinc/96/47/87/703964787.db2.gz SRCGXCPRSBIZPK-DZGCQCFKSA-N 2 0 336.505 1.872 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ncnn3C)C2)C1 ZINC000999291175 706786620 /nfs/dbraw/zinc/78/66/20/706786620.db2.gz PNFPOABFGLOCQH-FHERZECASA-N 2 0 348.495 1.016 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033069854 704098399 /nfs/dbraw/zinc/09/83/99/704098399.db2.gz MASAMQAOSMWTJU-ZWKOTPCHSA-N 2 0 347.507 1.368 20 0 EDADRP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084710 704154993 /nfs/dbraw/zinc/15/49/93/704154993.db2.gz KKANFESLCSOYLT-CVEARBPZSA-N 2 0 335.496 1.637 20 0 EDADRP CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001033090092 704171892 /nfs/dbraw/zinc/17/18/92/704171892.db2.gz FKOIXFPZLHWXNC-KURKYZTESA-N 2 0 337.508 1.676 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999304325 706798122 /nfs/dbraw/zinc/79/81/22/706798122.db2.gz SMSPRNDTGIGHGI-FXQLRMTLSA-N 2 0 334.464 1.792 20 0 EDADRP CCO[C@H](CNCc1ccc(C(=O)N2CCCC2)cc1)C[NH+](C)C ZINC000922756658 704316607 /nfs/dbraw/zinc/31/66/07/704316607.db2.gz RLQYQVOOMFFOCK-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997822994 704742951 /nfs/dbraw/zinc/74/29/51/704742951.db2.gz ISIRKITXILQHDH-KRWDZBQOSA-N 2 0 349.479 1.661 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997834093 704751952 /nfs/dbraw/zinc/75/19/52/704751952.db2.gz AHSMUJWJJFGMCH-AWEZNQCLSA-N 2 0 334.464 1.624 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000997839464 704754909 /nfs/dbraw/zinc/75/49/09/704754909.db2.gz GXRVGRCIMCVCAT-HNNXBMFYSA-N 2 0 339.509 1.453 20 0 EDADRP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997837633 704755305 /nfs/dbraw/zinc/75/53/05/704755305.db2.gz XWUARLKNCZHXHS-AWEZNQCLSA-N 2 0 346.475 1.796 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000997844453 704759693 /nfs/dbraw/zinc/75/96/93/704759693.db2.gz PMIOOJDIKHAVFP-SFHVURJKSA-N 2 0 349.523 1.817 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997860765 704771504 /nfs/dbraw/zinc/77/15/04/704771504.db2.gz CUPLUSPIZNBTJP-BBRMVZONSA-N 2 0 349.479 1.752 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997864526 704771520 /nfs/dbraw/zinc/77/15/20/704771520.db2.gz KILIVTWXONVMJE-OAHLLOKOSA-N 2 0 337.493 1.351 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1cnccn1 ZINC000997865264 704772597 /nfs/dbraw/zinc/77/25/97/704772597.db2.gz NBOUNSSFAVNPGI-CRAIPNDOSA-N 2 0 345.491 1.850 20 0 EDADRP Cc1cnc(CN2CC[C@H](NC(=O)Cn3ccnc3C)[C@H](C)C2)s1 ZINC000944965432 704835943 /nfs/dbraw/zinc/83/59/43/704835943.db2.gz SOPRLXVEABHJNK-DOMZBBRYSA-N 2 0 347.488 1.983 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)co1 ZINC000998081676 705303243 /nfs/dbraw/zinc/30/32/43/705303243.db2.gz LTZLNYOSYLDIRG-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)no1 ZINC000998215623 705536882 /nfs/dbraw/zinc/53/68/82/705536882.db2.gz COWCQHSFFWRDNF-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1csnn1 ZINC000998221600 705546408 /nfs/dbraw/zinc/54/64/08/705546408.db2.gz DXEYDMMYZWXQOL-CYBMUJFWSA-N 2 0 349.504 1.523 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032610985 705581059 /nfs/dbraw/zinc/58/10/59/705581059.db2.gz BILKGPVMGXAQLJ-XLAORIBOSA-N 2 0 337.508 1.673 20 0 EDADRP O=C(CCn1ccnc1)N1CC[C@H](C(F)(F)F)[C@@H]([NH2+]CCF)C1 ZINC000998273650 705653794 /nfs/dbraw/zinc/65/37/94/705653794.db2.gz BYSNDXVKICOYRS-RYUDHWBXSA-N 2 0 336.333 1.612 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000998547951 705982812 /nfs/dbraw/zinc/98/28/12/705982812.db2.gz CXOIJWNIVYNEER-NRXISQOPSA-N 2 0 336.867 1.908 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2nnc(C(C)(C)C)[nH]2)C1 ZINC000998548396 705983665 /nfs/dbraw/zinc/98/36/65/705983665.db2.gz HNPWKIKUIPRPER-JXQTWKCFSA-N 2 0 348.495 1.275 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC(NCc2nnsc2Cl)C1 ZINC000998550640 705987133 /nfs/dbraw/zinc/98/71/33/705987133.db2.gz NWCAJIXXPJVAAU-CBINBANVSA-N 2 0 343.884 1.365 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000998553355 705991023 /nfs/dbraw/zinc/99/10/23/705991023.db2.gz WMPKEUIEJPEUJY-CTWPCTMYSA-N 2 0 343.471 1.890 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000998729062 706159597 /nfs/dbraw/zinc/15/95/97/706159597.db2.gz FBEJVBLOYAPZFA-LSDHHAIUSA-N 2 0 334.464 1.720 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000998763562 706202558 /nfs/dbraw/zinc/20/25/58/706202558.db2.gz NRDMCACWFYBRHJ-OFLPRAFFSA-N 2 0 333.480 1.335 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998765233 706204650 /nfs/dbraw/zinc/20/46/50/706204650.db2.gz XAJINDJQMUOWRF-VMWRSERWSA-N 2 0 347.507 1.414 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nocc3C)C2)CC[N@@H+]1C ZINC000998792805 706239315 /nfs/dbraw/zinc/23/93/15/706239315.db2.gz BTKCCNKGMWBZRS-UMPYDWHISA-N 2 0 334.464 1.792 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)ncn1 ZINC000998994044 706411194 /nfs/dbraw/zinc/41/11/94/706411194.db2.gz JQUYPDYLIYNVQA-BDVYOWHSSA-N 2 0 331.464 1.348 20 0 EDADRP CN(C(=O)c1cc2c[nH]ccc-2n1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000998989540 706421554 /nfs/dbraw/zinc/42/15/54/706421554.db2.gz SFTLMEVQHFENSP-UHFFFAOYSA-N 2 0 338.415 1.689 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cccn2)C1 ZINC000999131217 706566281 /nfs/dbraw/zinc/56/62/81/706566281.db2.gz AVWHHXCKDNCXOC-SJORKVTESA-N 2 0 333.480 1.337 20 0 EDADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000999344033 706855697 /nfs/dbraw/zinc/85/56/97/706855697.db2.gz SOURYYIZVGSFFT-IUDNXUCKSA-N 2 0 331.464 1.458 20 0 EDADRP COc1ccnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)c1 ZINC000999376316 706870532 /nfs/dbraw/zinc/87/05/32/706870532.db2.gz VTVZDNRYFNEBFW-QAPCUYQASA-N 2 0 346.475 1.511 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999363534 706877413 /nfs/dbraw/zinc/87/74/13/706877413.db2.gz IFBNRIIMHCCXIS-QGZVFWFLSA-N 2 0 347.507 1.510 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999402096 706910151 /nfs/dbraw/zinc/91/01/51/706910151.db2.gz DJDWCHVVOQGJGN-IUDNXUCKSA-N 2 0 348.495 1.027 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999404419 706913421 /nfs/dbraw/zinc/91/34/21/706913421.db2.gz WHQUAKPSWIYAHA-IUDNXUCKSA-N 2 0 348.491 1.966 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)[NH+](C)C ZINC000999481166 706990167 /nfs/dbraw/zinc/99/01/67/706990167.db2.gz CJKQETJAYARCEG-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)CC1 ZINC000999599111 707101798 /nfs/dbraw/zinc/10/17/98/707101798.db2.gz QGTSWDGDMKZNPW-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1 ZINC000999607735 707121404 /nfs/dbraw/zinc/12/14/04/707121404.db2.gz FCVHDUVMRFXIPB-HOCLYGCPSA-N 2 0 328.416 1.565 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)c3ccn4c[nH+]cc4c3)C2)n1 ZINC000999617973 707137547 /nfs/dbraw/zinc/13/75/47/707137547.db2.gz FBSBYTGBQADDTH-INIZCTEOSA-N 2 0 338.415 1.462 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccccc1CC[NH+](C)C ZINC001038555388 707180173 /nfs/dbraw/zinc/18/01/73/707180173.db2.gz LWDHXMGJEVHRCV-NVXWUHKLSA-N 2 0 333.476 1.630 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999698883 707226175 /nfs/dbraw/zinc/22/61/75/707226175.db2.gz MCUBZJOCKKUHLI-UHFFFAOYSA-N 2 0 342.447 1.237 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999689223 707244421 /nfs/dbraw/zinc/24/44/21/707244421.db2.gz PRVZWCDJROKJQT-WWDZGPRUSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946780124 707247521 /nfs/dbraw/zinc/24/75/21/707247521.db2.gz ZTZKGZZKXWWDLN-CUSZFKRNSA-N 2 0 346.475 1.543 20 0 EDADRP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999708710 707300763 /nfs/dbraw/zinc/30/07/63/707300763.db2.gz NWLDRBVWJTULAD-UHFFFAOYSA-N 2 0 328.460 1.565 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)cn1 ZINC000999709462 707302639 /nfs/dbraw/zinc/30/26/39/707302639.db2.gz VANZNWIUMHRQJZ-MRXNPFEDSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1csc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000999710188 707303872 /nfs/dbraw/zinc/30/38/72/707303872.db2.gz SYEHBONZHRAFNU-UHFFFAOYSA-N 2 0 334.489 1.626 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@H]([NH2+]CC2CCC2)C1 ZINC000999764392 707318749 /nfs/dbraw/zinc/31/87/49/707318749.db2.gz JQTDSUOZPHIFJI-DHADLLTHSA-N 2 0 333.476 1.230 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276738 707341282 /nfs/dbraw/zinc/34/12/82/707341282.db2.gz GCGOOUYEXKCJIX-ISXWCOSWSA-N 2 0 333.476 1.349 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999795216 707366877 /nfs/dbraw/zinc/36/68/77/707366877.db2.gz YLXWBYGRQCYMIB-FUHWJXTLSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]CCc2ccccc2F)C1 ZINC000999828989 707457906 /nfs/dbraw/zinc/45/79/06/707457906.db2.gz HZAHIZLLXZPSNL-KLAILNCOSA-N 2 0 333.451 1.899 20 0 EDADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC000999832300 707463040 /nfs/dbraw/zinc/46/30/40/707463040.db2.gz CPCWKCKVWPQELA-UHFFFAOYSA-N 2 0 330.476 1.873 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033319401 707497966 /nfs/dbraw/zinc/49/79/66/707497966.db2.gz PUCKQPLMWABXHC-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H]([NH2+]Cc1cn(C)nn1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004873525 707535171 /nfs/dbraw/zinc/53/51/71/707535171.db2.gz AMTPAGLKJDBMCF-RHSMWYFYSA-N 2 0 348.495 1.159 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971560 707582195 /nfs/dbraw/zinc/58/21/95/707582195.db2.gz BVZSWXOQRTVFRO-MSOLQXFVSA-N 2 0 347.507 1.586 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCn3cccn3)C2)C1 ZINC001033354006 707609531 /nfs/dbraw/zinc/60/95/31/707609531.db2.gz LKPBCWKKBKZKKF-ZWKOTPCHSA-N 2 0 347.507 1.538 20 0 EDADRP CCc1nnc(C[NH2+][C@@H]2CCN(C(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)o1 ZINC001044825199 707691114 /nfs/dbraw/zinc/69/11/14/707691114.db2.gz UJFQJLTVGFOEPT-ZIAGYGMSSA-N 2 0 347.463 1.197 20 0 EDADRP C[C@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932351 707695385 /nfs/dbraw/zinc/69/53/85/707695385.db2.gz ZGXQSPUDBQRMEN-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1Cc2cc(C[NH2+]CCC[N@@H+]3CCC[C@H](C(N)=O)C3)ccc2O1 ZINC000921690967 707729947 /nfs/dbraw/zinc/72/99/47/707729947.db2.gz RNBZJQFJODEZTG-ZBFHGGJFSA-N 2 0 331.460 1.687 20 0 EDADRP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032734125 707743568 /nfs/dbraw/zinc/74/35/68/707743568.db2.gz XYJXBLRKJDADBF-YZUHTNEWSA-N 2 0 333.476 1.182 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2(C3CC[NH+](C[C@H](C)O)CC3)CC2)CC[N@@H+]1C ZINC001000156526 707771747 /nfs/dbraw/zinc/77/17/47/707771747.db2.gz FQVUTMSZXLZUQF-BHYGNILZSA-N 2 0 337.508 1.458 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001000194471 707830868 /nfs/dbraw/zinc/83/08/68/707830868.db2.gz VQGNXZSTFVEDCC-MAUKXSAKSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033421440 707833822 /nfs/dbraw/zinc/83/38/22/707833822.db2.gz XDZCLTYZWDPYIW-ZFWWWQNUSA-N 2 0 329.435 1.906 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCC[C@H]3C)C2)cn1 ZINC001033423440 707839331 /nfs/dbraw/zinc/83/93/31/707839331.db2.gz NBLFQVYGSYDPBO-AEFFLSMTSA-N 2 0 347.507 1.463 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@H]([NH2+]CCn2nc(C)cc2C)C1)[NH+](C)C ZINC001000228001 707893632 /nfs/dbraw/zinc/89/36/32/707893632.db2.gz QNIXEKNFJWZERX-IRXDYDNUSA-N 2 0 335.496 1.421 20 0 EDADRP Cc1nc(C(C)C)oc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032782013 707971933 /nfs/dbraw/zinc/97/19/33/707971933.db2.gz QHIHDOVVXQOYPW-PMPSAXMXSA-N 2 0 346.475 1.843 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)C1 ZINC001000927401 708077671 /nfs/dbraw/zinc/07/76/71/708077671.db2.gz LQMJXQDQGVOSOM-HZPDHXFCSA-N 2 0 345.491 1.252 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CC[NH+]([C@H](C)COC)CC2)C1 ZINC001001738515 708253587 /nfs/dbraw/zinc/25/35/87/708253587.db2.gz NVUWVDCYTTWIAU-AEFFLSMTSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033582390 708265923 /nfs/dbraw/zinc/26/59/23/708265923.db2.gz OQKQVHASJXUVPY-HOTGVXAUSA-N 2 0 349.479 1.185 20 0 EDADRP COC[C@H](C)[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001001763998 708287011 /nfs/dbraw/zinc/28/70/11/708287011.db2.gz FGEBFEATFMPUAY-ZOBUZTSGSA-N 2 0 325.497 1.580 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC001033594881 708297220 /nfs/dbraw/zinc/29/72/20/708297220.db2.gz SBENGCRZSOCYDU-IAGOWNOFSA-N 2 0 335.492 1.574 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033659255 708470768 /nfs/dbraw/zinc/47/07/68/708470768.db2.gz WOLAPFRQLAULIM-LJQANCHMSA-N 2 0 343.471 1.845 20 0 EDADRP CCn1cc(CC[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002122200 708636263 /nfs/dbraw/zinc/63/62/63/708636263.db2.gz ASYCKWIHCGBTCC-GOSISDBHSA-N 2 0 347.507 1.225 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002125918 708641098 /nfs/dbraw/zinc/64/10/98/708641098.db2.gz MJTDSXMQNMSURF-MRXNPFEDSA-N 2 0 348.491 1.825 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033831468 708853969 /nfs/dbraw/zinc/85/39/69/708853969.db2.gz WLBOOAXKYXDSBW-RTBURBONSA-N 2 0 342.487 1.846 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033835105 708862338 /nfs/dbraw/zinc/86/23/38/708862338.db2.gz AWWGSLNKCLGMGT-INIZCTEOSA-N 2 0 333.480 1.391 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH+](CC2CCCC2)CC1 ZINC001005427320 708982161 /nfs/dbraw/zinc/98/21/61/708982161.db2.gz WNIQSHJQGJTRLB-MOPGFXCFSA-N 2 0 349.519 1.963 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC001002472375 709005306 /nfs/dbraw/zinc/00/53/06/709005306.db2.gz ABXWVBZNKSMPJB-ZWKOTPCHSA-N 2 0 337.508 1.602 20 0 EDADRP COc1ncccc1CN1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001002481864 709015293 /nfs/dbraw/zinc/01/52/93/709015293.db2.gz VCOAFSQDUYWCGB-INIZCTEOSA-N 2 0 332.448 1.265 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033904413 709032196 /nfs/dbraw/zinc/03/21/96/709032196.db2.gz GHUKXJMJAFLGOF-VIHIWDAPSA-N 2 0 333.476 1.182 20 0 EDADRP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033951145 709131726 /nfs/dbraw/zinc/13/17/26/709131726.db2.gz BFDZWEOZSUERIQ-GOSISDBHSA-N 2 0 333.476 1.319 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CCCC[N@H+](CC3CCC3)C2)n1 ZINC001034209163 709558593 /nfs/dbraw/zinc/55/85/93/709558593.db2.gz IOAOAUVQJMFOIM-QGZVFWFLSA-N 2 0 347.507 1.829 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034210988 709561763 /nfs/dbraw/zinc/56/17/63/709561763.db2.gz JVWKMOFTZHMELM-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CCCC[N@H+](CCC3CC3)C2)n1 ZINC001034211094 709561806 /nfs/dbraw/zinc/56/18/06/709561806.db2.gz XNFKRLGUKSKKFX-KRWDZBQOSA-N 2 0 347.507 1.829 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001034213212 709565205 /nfs/dbraw/zinc/56/52/05/709565205.db2.gz WGKZAMUQZWQEIE-JKSUJKDBSA-N 2 0 325.497 1.602 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@H]1CCCC[NH+](CCCO)C1 ZINC001034248526 709609703 /nfs/dbraw/zinc/60/97/03/709609703.db2.gz DCLAALZUNJVFPD-DLBZAZTESA-N 2 0 325.497 1.602 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCCC[N@@H+](C[C@H](C)O)C2)ccc2c[nH+]cn21 ZINC001034286008 709689806 /nfs/dbraw/zinc/68/98/06/709689806.db2.gz VRFPHXLOXKDCBL-DZGCQCFKSA-N 2 0 330.432 1.608 20 0 EDADRP O=C(N[C@H]1CCCC[N@@H+](CCCF)C1)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034319519 709768813 /nfs/dbraw/zinc/76/88/13/709768813.db2.gz IKENGXJOAAHGBL-BNQMIIOLSA-N 2 0 339.455 1.180 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](Cc3ccccn3)C2)CC1 ZINC001034385807 709914600 /nfs/dbraw/zinc/91/46/00/709914600.db2.gz OKIWKQYUUWYOAO-SFHVURJKSA-N 2 0 330.476 1.894 20 0 EDADRP CO[C@H]1C[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C12CCC2 ZINC000453189732 709957490 /nfs/dbraw/zinc/95/74/90/709957490.db2.gz ZITYKIKCQFZEJR-XHSDSOJGSA-N 2 0 325.497 1.626 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034488414 710137429 /nfs/dbraw/zinc/13/74/29/710137429.db2.gz VPDFTUIZTIHOSL-QGZVFWFLSA-N 2 0 345.491 1.295 20 0 EDADRP Cn1nccc1CC[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243230 710166283 /nfs/dbraw/zinc/16/62/83/710166283.db2.gz WBWYGSADVBAQRD-UHFFFAOYSA-N 2 0 345.491 1.172 20 0 EDADRP O=C(NC1CCN(Cc2ccon2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309904 710239072 /nfs/dbraw/zinc/23/90/72/710239072.db2.gz GXCANXLQOWADRG-UHFFFAOYSA-N 2 0 325.372 1.717 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034612561 710287672 /nfs/dbraw/zinc/28/76/72/710287672.db2.gz SVMZAIYIXGRIQK-BRWVUGGUSA-N 2 0 346.475 1.701 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCO)CC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001034644090 710320044 /nfs/dbraw/zinc/32/00/44/710320044.db2.gz HOFZNKVYPBQROI-BRWVUGGUSA-N 2 0 337.508 1.650 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648507 710325256 /nfs/dbraw/zinc/32/52/56/710325256.db2.gz KEVZBUCSCDBQAX-OWYHZJEWSA-N 2 0 349.519 1.772 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648770 710325373 /nfs/dbraw/zinc/32/53/73/710325373.db2.gz NYCYGHGLCBGNRL-ULQDDVLXSA-N 2 0 346.475 1.842 20 0 EDADRP CCO[C@@H](CNC(=O)NCC(C)(C)C[NH+]1CCCC1)C[NH+](C)C ZINC000922179508 710356464 /nfs/dbraw/zinc/35/64/64/710356464.db2.gz LCWZPIOCDQCMQD-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626920 710455698 /nfs/dbraw/zinc/45/56/98/710455698.db2.gz XMKQDRJWDARQNK-CYBMUJFWSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003628713 710458430 /nfs/dbraw/zinc/45/84/30/710458430.db2.gz VCDPYKXMZIWMTO-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003628714 710458729 /nfs/dbraw/zinc/45/87/29/710458729.db2.gz VCDPYKXMZIWMTO-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001034672865 710607251 /nfs/dbraw/zinc/60/72/51/710607251.db2.gz SVKLXSYCRLSHPL-JFIYKMOQSA-N 2 0 345.491 1.786 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001034672010 710617864 /nfs/dbraw/zinc/61/78/64/710617864.db2.gz GOSOMTUWUHBZQE-KZNAEPCWSA-N 2 0 347.507 1.464 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)on1 ZINC001034673970 710637261 /nfs/dbraw/zinc/63/72/61/710637261.db2.gz IGGFYVJPCDXUOQ-ZOBUZTSGSA-N 2 0 334.464 1.984 20 0 EDADRP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1)[NH+]1CCCC1 ZINC001034704914 710816156 /nfs/dbraw/zinc/81/61/56/710816156.db2.gz ZWLBTIQYZPIRAD-WKILWMFISA-N 2 0 348.495 1.170 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001005661361 710872288 /nfs/dbraw/zinc/87/22/88/710872288.db2.gz RFDMLTOYBWIONT-KRWDZBQOSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001034721737 710886563 /nfs/dbraw/zinc/88/65/63/710886563.db2.gz QUGCYYNBGDROLB-VDHUWJSZSA-N 2 0 337.508 1.913 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)C1 ZINC001034733899 710914785 /nfs/dbraw/zinc/91/47/85/710914785.db2.gz GPAPIUHRCHJYMZ-JYJNAYRXSA-N 2 0 333.480 1.279 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCc3ccnn3C)CC2)C1 ZINC001034733846 710914824 /nfs/dbraw/zinc/91/48/24/710914824.db2.gz DYCWBHNWDPYPKL-ULQDDVLXSA-N 2 0 347.507 1.321 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nn1C ZINC001034734557 710916668 /nfs/dbraw/zinc/91/66/68/710916668.db2.gz RGDCCJZXDFNIIN-DJIMGWMZSA-N 2 0 347.507 1.587 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001034734801 710917956 /nfs/dbraw/zinc/91/79/56/710917956.db2.gz ZHLNIJKVSKVQGV-XIRDDKMYSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)o1 ZINC001034734973 710918494 /nfs/dbraw/zinc/91/84/94/710918494.db2.gz CTZZOCWNYVFPLZ-FVQBIDKESA-N 2 0 334.464 1.984 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034738823 710931728 /nfs/dbraw/zinc/93/17/28/710931728.db2.gz VQQQFOWWMIQCDH-QCEMKRCNSA-N 2 0 334.464 1.698 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001032958951 710981852 /nfs/dbraw/zinc/98/18/52/710981852.db2.gz CKBINHXGGNABLW-LSDHHAIUSA-N 2 0 336.505 1.621 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC001034776696 711054041 /nfs/dbraw/zinc/05/40/41/711054041.db2.gz XUUHBPSFYFQHIM-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP Cn1cncc1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCOCC2)CC1 ZINC001034777810 711057265 /nfs/dbraw/zinc/05/72/65/711057265.db2.gz KTIYPCSZIFZUOU-QAQDUYKDSA-N 2 0 348.491 1.796 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001034778373 711079515 /nfs/dbraw/zinc/07/95/15/711079515.db2.gz RRVLIHQFPRQLRU-VIPLHTEESA-N 2 0 347.503 1.526 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034795182 711112985 /nfs/dbraw/zinc/11/29/85/711112985.db2.gz UXPURFPWNXCJBS-QAQDUYKDSA-N 2 0 346.475 1.703 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034792153 711118687 /nfs/dbraw/zinc/11/86/87/711118687.db2.gz GFMZAWJDVVNYMM-MXAVVETBSA-N 2 0 334.468 1.143 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC001034793213 711122367 /nfs/dbraw/zinc/12/23/67/711122367.db2.gz SPVZQZAQPBGHOB-CRWXNKLISA-N 2 0 337.493 1.568 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(C)nc1 ZINC001034954413 711420380 /nfs/dbraw/zinc/42/03/80/711420380.db2.gz PUNDYINFISQIHB-MSOLQXFVSA-N 2 0 345.491 1.740 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)c1 ZINC001034956614 711426779 /nfs/dbraw/zinc/42/67/79/711426779.db2.gz CAMIZZWYPDVBGE-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C1CC1)[NH+](C)C ZINC001034959513 711434427 /nfs/dbraw/zinc/43/44/27/711434427.db2.gz ZUBBQZACCXXMAU-NVXWUHKLSA-N 2 0 334.464 1.712 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CC2CCCC2)n1 ZINC001034939589 711442137 /nfs/dbraw/zinc/44/21/37/711442137.db2.gz DABJWBOTNBGVNG-QGZVFWFLSA-N 2 0 347.507 1.829 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034939460 711442436 /nfs/dbraw/zinc/44/24/36/711442436.db2.gz BDCPKAWWVICMIT-BRWVUGGUSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001034969723 711448840 /nfs/dbraw/zinc/44/88/40/711448840.db2.gz LBMQTBZFNDHJHE-MRXNPFEDSA-N 2 0 346.475 1.940 20 0 EDADRP COCc1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004146714 711557377 /nfs/dbraw/zinc/55/73/77/711557377.db2.gz ZXQQHGZUBJXXJA-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP COC[C@@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]2C1 ZINC000946623378 711922960 /nfs/dbraw/zinc/92/29/60/711922960.db2.gz JPLNERDMHHOOIA-ZACQAIPSSA-N 2 0 337.508 1.676 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nccn3C)C[C@H]2CC1)[NH+](C)C ZINC000946642691 712128581 /nfs/dbraw/zinc/12/85/81/712128581.db2.gz PRQYKLASEXPMSM-IXDOHACOSA-N 2 0 347.507 1.431 20 0 EDADRP COC(=O)[C@@H](CC(C)C)NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522910 214378229 /nfs/dbraw/zinc/37/82/29/214378229.db2.gz ANYTUNUQRRXUEB-MRXNPFEDSA-N 2 0 341.496 1.354 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCCC1 ZINC000263255908 536660215 /nfs/dbraw/zinc/66/02/15/536660215.db2.gz QSGNRPJQWMVYKS-IAGOWNOFSA-N 2 0 335.448 1.312 20 0 EDADRP O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000561146549 306282653 /nfs/dbraw/zinc/28/26/53/306282653.db2.gz HVKVNYYGMHPMKY-HDEZJCGLSA-N 2 0 348.878 1.994 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000412426586 304006854 /nfs/dbraw/zinc/00/68/54/304006854.db2.gz NPNPGRLTRDAALQ-KRWDZBQOSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339070542 539699993 /nfs/dbraw/zinc/69/99/93/539699993.db2.gz ZMPNDIIEKVMSMJ-ROUUACIJSA-N 2 0 329.492 1.550 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)N[C@H](C)C[NH+](CC)CC)C1 ZINC000342975714 539768242 /nfs/dbraw/zinc/76/82/42/539768242.db2.gz JIGCXTHOQYMZPB-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000342997739 539773569 /nfs/dbraw/zinc/77/35/69/539773569.db2.gz WWMOPCXBYNHZPR-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CCOCc1nc(C)c(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000562639029 306304124 /nfs/dbraw/zinc/30/41/24/306304124.db2.gz UUTRZBDTIVRTSZ-UHFFFAOYSA-N 2 0 342.509 1.553 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)CCc3c[nH]cn3)CCCC2)CC1 ZINC000353446865 539933740 /nfs/dbraw/zinc/93/37/40/539933740.db2.gz MWHSLDACHOYMEO-UHFFFAOYSA-N 2 0 334.464 1.882 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000355955548 539961488 /nfs/dbraw/zinc/96/14/88/539961488.db2.gz OBQCQYVDKGOMTL-MRXNPFEDSA-N 2 0 342.528 1.905 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(N3CC[NH+](CC)CC3)cc2)C1 ZINC000412848948 304040909 /nfs/dbraw/zinc/04/09/09/304040909.db2.gz SRHVHQJTMKUSBJ-QGZVFWFLSA-N 2 0 330.476 1.653 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648963 283092545 /nfs/dbraw/zinc/09/25/45/283092545.db2.gz OYKBIMIKUGZTPX-FUHWJXTLSA-N 2 0 334.508 1.987 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000563352324 306329320 /nfs/dbraw/zinc/32/93/20/306329320.db2.gz IOKUPSLIWQRUFL-MJGOQNOKSA-N 2 0 334.460 1.447 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000563378163 306330672 /nfs/dbraw/zinc/33/06/72/306330672.db2.gz LOCGLFXSYNBRRK-UHFFFAOYSA-N 2 0 346.519 1.548 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000045196156 138112715 /nfs/dbraw/zinc/11/27/15/138112715.db2.gz OGBAYNWWWCHXIT-UHFFFAOYSA-N 2 0 330.476 1.830 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000077208564 138251993 /nfs/dbraw/zinc/25/19/93/138251993.db2.gz NALSQGQSPDTNLP-KRWDZBQOSA-N 2 0 339.528 1.045 20 0 EDADRP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000090231560 138278316 /nfs/dbraw/zinc/27/83/16/138278316.db2.gz XDOYAXAPARLVOT-HUUCEWRRSA-N 2 0 327.494 1.159 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CCN2CCOCC2)CC1 ZINC000092974893 138291220 /nfs/dbraw/zinc/29/12/20/138291220.db2.gz DWRZESJXDRIPQR-UHFFFAOYSA-N 2 0 346.519 1.593 20 0 EDADRP Cn1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(=O)n(C)c1=O ZINC000093769342 138294380 /nfs/dbraw/zinc/29/43/80/138294380.db2.gz RXPADHGSDFVQIO-UHFFFAOYSA-N 2 0 348.491 1.172 20 0 EDADRP C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000124931862 138330793 /nfs/dbraw/zinc/33/07/93/138330793.db2.gz OODADBVCABFQTD-YOEHRIQHSA-N 2 0 335.423 1.362 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000563609797 306341726 /nfs/dbraw/zinc/34/17/26/306341726.db2.gz PINLCIIWNFVSDN-SJLPKXTDSA-N 2 0 346.475 1.281 20 0 EDADRP CN(C)c1ncc(C[NH2+]CC(=O)N[C@H]2CCOc3ccccc32)n1C ZINC000563633358 306343110 /nfs/dbraw/zinc/34/31/10/306343110.db2.gz YDEIVYROVDZFPZ-HNNXBMFYSA-N 2 0 343.431 1.216 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CC(=O)NCc3ccc(F)cc3)CC2)C1 ZINC000563670594 306344560 /nfs/dbraw/zinc/34/45/60/306344560.db2.gz OFIITKJCDXRJBR-ROUUACIJSA-N 2 0 349.450 1.660 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000563875279 306350913 /nfs/dbraw/zinc/35/09/13/306350913.db2.gz GVMVZMRNCTZMHB-UHFFFAOYSA-N 2 0 348.495 1.021 20 0 EDADRP [NH3+]CC1CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000564064097 306354647 /nfs/dbraw/zinc/35/46/47/306354647.db2.gz HDRWDTNVNCAKEO-GOSISDBHSA-N 2 0 330.476 1.889 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C[NH3+])c2ccccc2)[C@H](C)C1 ZINC000564089290 306355627 /nfs/dbraw/zinc/35/56/27/306355627.db2.gz GSIBREFFBZKYSN-QRQLOZEOSA-N 2 0 347.503 1.982 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000564318539 306358132 /nfs/dbraw/zinc/35/81/32/306358132.db2.gz MRJBLPMPBXHTMO-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564654637 306362367 /nfs/dbraw/zinc/36/23/67/306362367.db2.gz HNETYDVCPWZFCK-PKOBYXMFSA-N 2 0 328.460 1.506 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)COC2CCC([NH3+])CC2)CC1 ZINC000564924938 306369881 /nfs/dbraw/zinc/36/98/81/306369881.db2.gz VGVYBECXQYLPML-UHFFFAOYSA-N 2 0 341.496 1.232 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000564937718 306370510 /nfs/dbraw/zinc/37/05/10/306370510.db2.gz MQVWPKHVARDTDE-CAOSSQGBSA-N 2 0 340.512 1.643 20 0 EDADRP COC(=O)CN1CCC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000565420740 306383603 /nfs/dbraw/zinc/38/36/03/306383603.db2.gz OLPXUDRFTSJOCA-DAYGRLMNSA-N 2 0 347.459 1.324 20 0 EDADRP CC(C)[C@H](Cn1cccn1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414199754 304105892 /nfs/dbraw/zinc/10/58/92/304105892.db2.gz RGDHYMMOBRHLSS-SFHVURJKSA-N 2 0 349.523 1.294 20 0 EDADRP O[C@@H](C[NH2+]CC1CC[NH+](C2CC2)CC1)COc1ccc2c(c1)OCO2 ZINC000565594010 306387493 /nfs/dbraw/zinc/38/74/93/306387493.db2.gz IIJOYJAJAOKAGZ-INIZCTEOSA-N 2 0 348.443 1.619 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CC[C@@H](c3cccc(F)c3)C2)[C@H](C[NH3+])C1 ZINC000565646365 306388717 /nfs/dbraw/zinc/38/87/17/306388717.db2.gz GNWOOAUKRSNAKN-DJIMGWMZSA-N 2 0 334.439 1.746 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCCC[C@H]1C ZINC000414697352 304128721 /nfs/dbraw/zinc/12/87/21/304128721.db2.gz HAQVVNCYPIZWSS-KGLIPLIRSA-N 2 0 344.459 1.607 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCSC3(CCCCC3)C2)C1 ZINC000414702136 304129827 /nfs/dbraw/zinc/12/98/27/304129827.db2.gz HWXIMWBSXJOCEC-HNNXBMFYSA-N 2 0 325.522 1.935 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)C1 ZINC000414702192 304129667 /nfs/dbraw/zinc/12/96/67/304129667.db2.gz UVOXDDFRVWLNED-CEXWTWQISA-N 3 0 338.540 1.101 20 0 EDADRP Cc1ccnc(OC2CC[NH+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)CC2)c1 ZINC000414704274 304130495 /nfs/dbraw/zinc/13/04/95/304130495.db2.gz DIMZBQWEWHCJGO-INIZCTEOSA-N 2 0 346.475 1.431 20 0 EDADRP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)C12CCCC2 ZINC000414717138 304132333 /nfs/dbraw/zinc/13/23/33/304132333.db2.gz XUDHEMMZKDAXDR-GVDBMIGSSA-N 2 0 337.508 1.853 20 0 EDADRP C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741361 304135790 /nfs/dbraw/zinc/13/57/90/304135790.db2.gz KSAUSJTUBVRSDF-SFHVURJKSA-N 2 0 333.476 1.722 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](c3c(F)cccc3F)C2)C1 ZINC000414746115 304136339 /nfs/dbraw/zinc/13/63/39/304136339.db2.gz QEEHNVVLSJFWQB-ZIAGYGMSSA-N 2 0 337.414 1.951 20 0 EDADRP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784564 304140340 /nfs/dbraw/zinc/14/03/40/304140340.db2.gz SPWWWDQXJVUYFV-INIZCTEOSA-N 2 0 332.492 1.851 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414785352 304140442 /nfs/dbraw/zinc/14/04/42/304140442.db2.gz SMVCNVVQUWZAHM-IRXDYDNUSA-N 2 0 348.491 1.885 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)c1 ZINC000415034117 304152907 /nfs/dbraw/zinc/15/29/07/304152907.db2.gz JKEMDIMZOHOVQM-UHFFFAOYSA-N 2 0 348.491 1.922 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CNC[C@H]2C[NH2+]CCCO2)CC1 ZINC000415041700 304153699 /nfs/dbraw/zinc/15/36/99/304153699.db2.gz PSEMISZSYNPEIA-LJQANCHMSA-N 2 0 346.519 1.687 20 0 EDADRP CN(c1ccccc1CN1CCCO[C@H](C[NH3+])C1)C1CC[NH+](C)CC1 ZINC000415115681 304160855 /nfs/dbraw/zinc/16/08/55/304160855.db2.gz XBPRSVYAWXMWPA-LJQANCHMSA-N 2 0 346.519 1.767 20 0 EDADRP CCCNC(=O)C1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000415116599 304161396 /nfs/dbraw/zinc/16/13/96/304161396.db2.gz UXNRSIRUVUPMNT-HNNXBMFYSA-N 2 0 338.496 1.002 20 0 EDADRP Cc1cc(CNCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000415132383 304162428 /nfs/dbraw/zinc/16/24/28/304162428.db2.gz LBVNXPBIVOTLBL-UHFFFAOYSA-N 2 0 327.476 1.812 20 0 EDADRP COc1cc(CN2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)ccc1O ZINC000194975510 139003571 /nfs/dbraw/zinc/00/35/71/139003571.db2.gz CSOFEJSLEWYJTJ-OAHLLOKOSA-N 2 0 333.432 1.139 20 0 EDADRP CCc1nn(C)c(CC)c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142022 304163865 /nfs/dbraw/zinc/16/38/65/304163865.db2.gz QKWWZEINULDNLP-QAPCUYQASA-N 2 0 332.492 1.745 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCSc3c(F)cccc32)CC1 ZINC000567354172 306448569 /nfs/dbraw/zinc/44/85/69/306448569.db2.gz DKRNGTWNKREIQO-BBRMVZONSA-N 2 0 339.480 1.561 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000237097238 139040521 /nfs/dbraw/zinc/04/05/21/139040521.db2.gz GEVZNVUOVCQBGS-UHFFFAOYSA-N 2 0 332.448 1.905 20 0 EDADRP C[N@H+](CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C1CCCCC1 ZINC000237074620 139039852 /nfs/dbraw/zinc/03/98/52/139039852.db2.gz CFGCNHMOFSLMIS-UHFFFAOYSA-N 2 0 348.495 1.587 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000237275381 139046233 /nfs/dbraw/zinc/04/62/33/139046233.db2.gz LJWOLSZFJUAFKK-HZPDHXFCSA-N 2 0 337.489 1.084 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2CC23CC[NH2+]CC3)[NH+](C)C)c1 ZINC000237284436 139046524 /nfs/dbraw/zinc/04/65/24/139046524.db2.gz FWWSAABEXWFKFN-IAGOWNOFSA-N 2 0 331.460 1.804 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)C1 ZINC000237900998 139063198 /nfs/dbraw/zinc/06/31/98/139063198.db2.gz LTIMKKWIPCZSQV-KSZLIROESA-N 2 0 331.460 1.694 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000238051012 139067717 /nfs/dbraw/zinc/06/77/17/139067717.db2.gz MPAHRMZGOWVJNA-OAHLLOKOSA-N 2 0 341.521 1.233 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH2+]C1CCCCC1 ZINC000111864807 220213952 /nfs/dbraw/zinc/21/39/52/220213952.db2.gz XHOCWNZRGAZPNU-KRWDZBQOSA-N 2 0 340.512 1.709 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)C2)C1 ZINC000415245491 304178116 /nfs/dbraw/zinc/17/81/16/304178116.db2.gz PBHRQTCRJAEGFC-GOSISDBHSA-N 2 0 330.432 1.028 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC2([NH3+])CCCCC2)ccc1C[NH+](C)C ZINC000415278425 304183950 /nfs/dbraw/zinc/18/39/50/304183950.db2.gz HLXROKBDJOHFNR-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000415290094 304186802 /nfs/dbraw/zinc/18/68/02/304186802.db2.gz BQDUMBPCUNTPLO-GOEBONIOSA-N 2 0 344.459 1.417 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)CC2)CCO1 ZINC000246228277 139100171 /nfs/dbraw/zinc/10/01/71/139100171.db2.gz HMGOMXOOPWXLHQ-ATLSCFEFSA-N 2 0 335.492 1.619 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)s1 ZINC000246501988 139111060 /nfs/dbraw/zinc/11/10/60/139111060.db2.gz SPKCGVHEKPPAIU-YRGRVCCFSA-N 2 0 345.534 1.653 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000415356476 304202481 /nfs/dbraw/zinc/20/24/81/304202481.db2.gz FWTYLTJDZIXEKC-ZDUSSCGKSA-N 2 0 332.448 1.321 20 0 EDADRP COc1cccc(COC[C@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000248026793 139157295 /nfs/dbraw/zinc/15/72/95/139157295.db2.gz PJHWFZPLWOHOIL-GGPKGHCWSA-N 2 0 348.487 1.989 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000248399228 139162168 /nfs/dbraw/zinc/16/21/68/139162168.db2.gz OODJLGCARGKICW-RTBURBONSA-N 2 0 344.503 1.576 20 0 EDADRP CNC(=O)NC(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821005 218171514 /nfs/dbraw/zinc/17/15/14/218171514.db2.gz BVEDAVRFFMCDRS-UHFFFAOYSA-N 2 0 347.463 1.466 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(NC(C)=O)cc3)C2)CC1 ZINC000093132925 218196589 /nfs/dbraw/zinc/19/65/89/218196589.db2.gz AWANTHXWMBGOLE-IBGZPJMESA-N 2 0 330.476 1.857 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000423358466 284754391 /nfs/dbraw/zinc/75/43/91/284754391.db2.gz UFPLYHJYCKWVDE-ZWKOTPCHSA-N 2 0 345.491 1.898 20 0 EDADRP COCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000261551743 139208897 /nfs/dbraw/zinc/20/88/97/139208897.db2.gz XFWFPFVHBBGIDY-GOSISDBHSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261764124 139224039 /nfs/dbraw/zinc/22/40/39/139224039.db2.gz LXUHTKNLFJPLQV-AYOQOUSVSA-N 2 0 345.487 1.910 20 0 EDADRP O=C(CN1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000261802470 139227316 /nfs/dbraw/zinc/22/73/16/139227316.db2.gz LYKSVPDTAZOANE-UHFFFAOYSA-N 2 0 334.489 1.079 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000261807543 139227812 /nfs/dbraw/zinc/22/78/12/139227812.db2.gz NBAHYSMLEUBVHV-VMUDFCTBSA-N 2 0 337.414 1.902 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261845555 139230914 /nfs/dbraw/zinc/23/09/14/139230914.db2.gz PYLCPDFVSOEFLW-ZIBATOQPSA-N 2 0 340.265 1.819 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261874884 139233178 /nfs/dbraw/zinc/23/31/78/139233178.db2.gz SSOWCOFFYUGWIN-HFAKWTLXSA-N 2 0 340.265 1.819 20 0 EDADRP C(N[C@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1([NH+]2CCCC2)CCOCC1 ZINC000261875884 139233264 /nfs/dbraw/zinc/23/32/64/139233264.db2.gz DRLNEBSAPFEUED-OKZBNKHCSA-N 3 0 337.508 1.378 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2CC23CC[NH2+]CC3)n(C2CC[NH+](C)CC2)n1 ZINC000261956674 139239880 /nfs/dbraw/zinc/23/98/80/139239880.db2.gz QXEOJBHPZZFXPQ-HNNXBMFYSA-N 2 0 331.464 1.786 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](c2nc(C3([NH3+])CCC3)no2)CC1=O ZINC000261999432 139242929 /nfs/dbraw/zinc/24/29/29/139242929.db2.gz TYYDFROHOPXXPQ-OLZOCXBDSA-N 2 0 333.436 1.208 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1OC ZINC000262042175 139246126 /nfs/dbraw/zinc/24/61/26/139246126.db2.gz PHJPOCNXBIWVDJ-MRXNPFEDSA-N 2 0 349.475 1.913 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@@H+]1C[C@H](C)O ZINC000415941078 251036380 /nfs/dbraw/zinc/03/63/80/251036380.db2.gz GFOBZRZDFYXNNZ-YOEHRIQHSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC(=O)N1CC[NH2+]CC1 ZINC000262284282 139266460 /nfs/dbraw/zinc/26/64/60/139266460.db2.gz ZMZSUHGATQSCBE-OAHLLOKOSA-N 2 0 342.447 1.082 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCCO1 ZINC000416791529 251110413 /nfs/dbraw/zinc/11/04/13/251110413.db2.gz JTZINBQVOGMREX-GOSISDBHSA-N 2 0 346.475 1.410 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417015916 251133375 /nfs/dbraw/zinc/13/33/75/251133375.db2.gz NGXYRZNYTYJOAC-CAOSSQGBSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417015101 251133425 /nfs/dbraw/zinc/13/34/25/251133425.db2.gz DZNKUVKVPLUFNB-MAUKXSAKSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417019375 251134682 /nfs/dbraw/zinc/13/46/82/251134682.db2.gz IRDFDKTWNZJTSK-MOPGFXCFSA-N 2 0 342.487 1.971 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417019364 251134909 /nfs/dbraw/zinc/13/49/09/251134909.db2.gz IOSUILURODPEKN-MRXNPFEDSA-N 2 0 330.476 1.686 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)C2C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000262338703 139271464 /nfs/dbraw/zinc/27/14/64/139271464.db2.gz HRNRGFUPPUEFGU-JKSUJKDBSA-N 2 0 345.487 1.858 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000417422985 251167810 /nfs/dbraw/zinc/16/78/10/251167810.db2.gz PWRPMVKJWGVWJO-OAHLLOKOSA-N 2 0 338.452 1.260 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417520960 251182645 /nfs/dbraw/zinc/18/26/45/251182645.db2.gz OMCOBGPXRIWDSZ-UHFFFAOYSA-N 2 0 326.485 1.258 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000417557544 251187571 /nfs/dbraw/zinc/18/75/71/251187571.db2.gz RYSGJKJOYVMAEP-IKGGRYGDSA-N 2 0 340.512 1.789 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000415577255 304230154 /nfs/dbraw/zinc/23/01/54/304230154.db2.gz YXYIROYKAIBBTF-GJZGRUSLSA-N 2 0 346.475 1.676 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000262392129 139275673 /nfs/dbraw/zinc/27/56/73/139275673.db2.gz OIBFPDKRKSDRJV-SFHVURJKSA-N 2 0 347.459 1.208 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1cccc(OC)c1 ZINC000262434702 139278880 /nfs/dbraw/zinc/27/88/80/139278880.db2.gz UGVFZDDFSWYLIN-FUHWJXTLSA-N 2 0 349.475 1.573 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@@](C)(C[NH3+])C2)[C@@H](C)C1 ZINC000417669651 251221576 /nfs/dbraw/zinc/22/15/76/251221576.db2.gz MNWDEDAHVGSRTR-BQFCYCMXSA-N 2 0 340.512 1.504 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417753076 251256866 /nfs/dbraw/zinc/25/68/66/251256866.db2.gz NXFZEMCVYNMXKI-IRXDYDNUSA-N 2 0 341.544 1.275 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000417808370 251279233 /nfs/dbraw/zinc/27/92/33/251279233.db2.gz LJBJMJQKCNJIDL-GOSISDBHSA-N 2 0 340.512 1.565 20 0 EDADRP CN(CC[NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417813865 251281189 /nfs/dbraw/zinc/28/11/89/251281189.db2.gz AJPMNCBMUITFJS-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2C[NH2+]CCO2)CC1 ZINC000417857404 251300704 /nfs/dbraw/zinc/30/07/04/251300704.db2.gz XVLYKJPXJJCFQX-MRXNPFEDSA-N 2 0 326.485 1.032 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000417857403 251301107 /nfs/dbraw/zinc/30/11/07/251301107.db2.gz XVLYKJPXJJCFQX-INIZCTEOSA-N 2 0 326.485 1.032 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417857410 251301161 /nfs/dbraw/zinc/30/11/61/251301161.db2.gz XWVPXIBNTPYLDM-GJZGRUSLSA-N 2 0 326.485 1.304 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418442966 251372229 /nfs/dbraw/zinc/37/22/29/251372229.db2.gz KNPAUJIYRIMDRV-BPQIPLTHSA-N 2 0 348.491 1.957 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418473667 251373487 /nfs/dbraw/zinc/37/34/87/251373487.db2.gz NQBHPMZLAJJMFT-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC1CC[NH2+]CC1)C1CC1 ZINC000418146639 251342845 /nfs/dbraw/zinc/34/28/45/251342845.db2.gz PNZQDRQRQCWGMF-GOSISDBHSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418193014 251352639 /nfs/dbraw/zinc/35/26/39/251352639.db2.gz MXKCKXOFTSCJIT-GDBMZVCRSA-N 2 0 349.479 1.339 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000418196684 251354862 /nfs/dbraw/zinc/35/48/62/251354862.db2.gz RTHJKQWEGSYAIQ-UHFFFAOYSA-N 2 0 337.468 1.339 20 0 EDADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418319277 251360705 /nfs/dbraw/zinc/36/07/05/251360705.db2.gz OQQDNBWQBJFMDW-HNNXBMFYSA-N 2 0 334.464 1.885 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418346903 251362389 /nfs/dbraw/zinc/36/23/89/251362389.db2.gz MVRZDVONZIALIC-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418708798 251391846 /nfs/dbraw/zinc/39/18/46/251391846.db2.gz JKGSHTFLQUAAIB-GFCCVEGCSA-N 2 0 334.436 1.804 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000262668826 139295029 /nfs/dbraw/zinc/29/50/29/139295029.db2.gz MBQNAFOIQRQTCG-KZNAEPCWSA-N 2 0 339.524 1.972 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000262680755 139295932 /nfs/dbraw/zinc/29/59/32/139295932.db2.gz WUMHPRKNSFBRJM-MRXNPFEDSA-N 2 0 334.464 1.824 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H](C)O1 ZINC000262705430 139297712 /nfs/dbraw/zinc/29/77/12/139297712.db2.gz DBZMFNJBTMJWHS-XHSDSOJGSA-N 2 0 349.479 1.037 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CC[C@@H](C)[NH3+])cc2)CC1 ZINC000262819698 139305933 /nfs/dbraw/zinc/30/59/33/139305933.db2.gz PLAASCYJWQDUPM-MRXNPFEDSA-N 2 0 332.492 1.568 20 0 EDADRP C[C@]1(c2ccc(C[NH2+]C3CCC(C[NH3+])CC3)cc2)NC(=O)NC1=O ZINC000422874762 252007939 /nfs/dbraw/zinc/00/79/39/252007939.db2.gz BALBZUITQDLIDA-GUUHALQZSA-N 2 0 330.432 1.348 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)N2CCN(C)CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422881471 252010163 /nfs/dbraw/zinc/01/01/63/252010163.db2.gz NTVNTZGEVSITGW-MAUKXSAKSA-N 2 0 330.476 1.162 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000422888655 252011730 /nfs/dbraw/zinc/01/17/30/252011730.db2.gz DMSJMTMQIFITPT-PXNSSMCTSA-N 3 0 330.520 1.912 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CN[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000422890251 252013817 /nfs/dbraw/zinc/01/38/17/252013817.db2.gz HZBDOSIGGRXRAL-YLJYHZDGSA-N 2 0 330.520 1.912 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000423343993 252048162 /nfs/dbraw/zinc/04/81/62/252048162.db2.gz DXKALTJJKGVUNH-UHFFFAOYSA-N 2 0 336.484 1.211 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000423352459 252050588 /nfs/dbraw/zinc/05/05/88/252050588.db2.gz AUXGZAILCFEFSG-KRWDZBQOSA-N 2 0 347.459 1.425 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)c1cn(CCC[NH3+])nn1 ZINC000423737383 252067837 /nfs/dbraw/zinc/06/78/37/252067837.db2.gz ANVNDQDZAIKJJR-UHFFFAOYSA-N 2 0 336.484 1.211 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)COC1CC[NH2+]CC1 ZINC000423778294 252070587 /nfs/dbraw/zinc/07/05/87/252070587.db2.gz SQELYFBUGIEJPE-UHFFFAOYSA-N 2 0 325.478 1.407 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c1 ZINC000422904556 252018428 /nfs/dbraw/zinc/01/84/28/252018428.db2.gz GYDXROCOAMRYQB-ZWKOTPCHSA-N 3 0 332.492 1.585 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990774 252021392 /nfs/dbraw/zinc/02/13/92/252021392.db2.gz NYRVRERDLCFERP-CJNGLKHVSA-N 2 0 338.423 1.770 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCCCC1 ZINC000423995706 252111075 /nfs/dbraw/zinc/11/10/75/252111075.db2.gz FFTDBQTZZYGHHO-IAGOWNOFSA-N 2 0 348.495 1.411 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423791193 252076370 /nfs/dbraw/zinc/07/63/70/252076370.db2.gz HCYJEZCMFVDBGX-OTWHNJEPSA-N 2 0 344.503 1.996 20 0 EDADRP C[NH2+][C@@H](C(=O)N1CCC(CCC[NH+]2CCCC2)CC1)c1cnn(C)c1 ZINC000423795465 252077815 /nfs/dbraw/zinc/07/78/15/252077815.db2.gz KRTKGMRZNAAGQP-GOSISDBHSA-N 2 0 347.507 1.795 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)C[C@H]2[NH3+])cn1 ZINC000424227811 252171833 /nfs/dbraw/zinc/17/18/33/252171833.db2.gz RJJJAISTYHWQBS-BBWFWOEESA-N 2 0 341.459 1.399 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000424439981 252231876 /nfs/dbraw/zinc/23/18/76/252231876.db2.gz PNVBSQHDIYBUIE-LSDHHAIUSA-N 2 0 346.475 1.771 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000263213537 139328751 /nfs/dbraw/zinc/32/87/51/139328751.db2.gz KMZNTDPBKIGAIF-QAPCUYQASA-N 2 0 325.497 1.900 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[N@H+](C)C1CC1 ZINC000112285784 220286111 /nfs/dbraw/zinc/28/61/11/220286111.db2.gz GDQXYJLPARZHRN-CQSZACIVSA-N 2 0 331.464 1.046 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331186044 285229457 /nfs/dbraw/zinc/22/94/57/285229457.db2.gz JGVLPJPBMMXPGY-INIZCTEOSA-N 2 0 339.505 1.758 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000489494928 255068620 /nfs/dbraw/zinc/06/86/20/255068620.db2.gz IEDDIFGJCFGNJY-SQWLQELKSA-N 2 0 328.526 1.596 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C\C1CCOCC1 ZINC000491828980 255150885 /nfs/dbraw/zinc/15/08/85/255150885.db2.gz WCXMVBFYOZEKJT-FPLPWBNLSA-N 2 0 325.497 1.701 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496162365 255359512 /nfs/dbraw/zinc/35/95/12/255359512.db2.gz UMKHGTRYBBDPAM-INIZCTEOSA-N 2 0 343.512 1.926 20 0 EDADRP C[NH+]1CCC(C)(CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)CC1 ZINC000496500534 255399893 /nfs/dbraw/zinc/39/98/93/255399893.db2.gz NWUKKWXCCBTOEZ-UHFFFAOYSA-N 2 0 327.473 1.357 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000497210979 255475900 /nfs/dbraw/zinc/47/59/00/255475900.db2.gz CDRVTRRQQRASDB-INIZCTEOSA-N 2 0 343.512 1.926 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccnc(C)n1 ZINC000362049474 285279338 /nfs/dbraw/zinc/27/93/38/285279338.db2.gz WDADPNREBYUBAA-HNNXBMFYSA-N 2 0 334.468 1.665 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343862316 285321620 /nfs/dbraw/zinc/32/16/20/285321620.db2.gz OHVMDSCXDMCZHB-BRWVUGGUSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000173812331 533246701 /nfs/dbraw/zinc/24/67/01/533246701.db2.gz IZFYNYMAGBJKPV-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP COC(=O)COc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000183564740 533572653 /nfs/dbraw/zinc/57/26/53/533572653.db2.gz YHMXYGZWTPTCRI-JKSUJKDBSA-N 2 0 349.475 1.525 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000415934966 304286461 /nfs/dbraw/zinc/28/64/61/304286461.db2.gz SYFMIBVOMCLRIK-MRXNPFEDSA-N 2 0 334.464 1.764 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1CC(C)(C)O ZINC000416213213 304296385 /nfs/dbraw/zinc/29/63/85/304296385.db2.gz FYMZQKIHQJRMSC-AEFFLSMTSA-N 2 0 347.503 1.983 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000571524397 306567701 /nfs/dbraw/zinc/56/77/01/306567701.db2.gz ZWLYARPZZFKDQW-LZWOXQAQSA-N 2 0 340.512 1.245 20 0 EDADRP C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000270288329 140073873 /nfs/dbraw/zinc/07/38/73/140073873.db2.gz YHAUSNGEOSSHDF-QLFBSQMISA-N 2 0 334.464 1.610 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000271171099 140250536 /nfs/dbraw/zinc/25/05/36/140250536.db2.gz XLBRKBFAKBOVCY-LPHOPBHVSA-N 2 0 347.503 1.936 20 0 EDADRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1C ZINC000271210621 140257148 /nfs/dbraw/zinc/25/71/48/140257148.db2.gz UXZQKHMARGPUCW-UHFFFAOYSA-N 2 0 333.476 1.893 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000572103017 306581217 /nfs/dbraw/zinc/58/12/17/306581217.db2.gz LPMUPANVMLOJSJ-SFHVURJKSA-N 2 0 346.475 1.247 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000332409765 141177324 /nfs/dbraw/zinc/17/73/24/141177324.db2.gz QRPWMLGKLFHGGJ-IXDOHACOSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000333217759 141282685 /nfs/dbraw/zinc/28/26/85/141282685.db2.gz VVGFVUVQMSNHME-OAHLLOKOSA-N 2 0 331.464 1.572 20 0 EDADRP CC1CC[NH+](C2CCC(NC(=O)N(C)[C@H]3C[NH2+]C[C@@H]3O)CC2)CC1 ZINC000333409338 141313473 /nfs/dbraw/zinc/31/34/73/141313473.db2.gz RBGQVWPJBKPRFR-GQGLESIBSA-N 2 0 338.496 1.004 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000333471212 141322661 /nfs/dbraw/zinc/32/26/61/141322661.db2.gz ASXPRBMMAVBGKX-GDBMZVCRSA-N 2 0 329.510 1.312 20 0 EDADRP C[C@H]1C[N@H+](CC[C@@H]2CCC[NH2+]C2)CCN1c1nccn2cnnc12 ZINC000333647995 141350235 /nfs/dbraw/zinc/35/02/35/141350235.db2.gz JILSMNFAMZSJTD-GJZGRUSLSA-N 2 0 329.452 1.025 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333653394 141351217 /nfs/dbraw/zinc/35/12/17/141351217.db2.gz KFIRLPBLIVZNQK-WBVHZDCISA-N 2 0 338.496 1.128 20 0 EDADRP COc1cc(F)c(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1OC ZINC000572248709 306584572 /nfs/dbraw/zinc/58/45/72/306584572.db2.gz NNGVUXSPZCRDCY-ZDUSSCGKSA-N 2 0 325.428 1.568 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000333866447 141397375 /nfs/dbraw/zinc/39/73/75/141397375.db2.gz TVAZRAWBJGVQFE-INIZCTEOSA-N 2 0 337.512 1.069 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(CCCN3CC[NH+](C(C)C)CC3)[C@H]2C1 ZINC000339395954 142036219 /nfs/dbraw/zinc/03/62/19/142036219.db2.gz VCDNPOAWJBULHT-RBUKOAKNSA-N 2 0 338.540 1.198 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000340081207 142259884 /nfs/dbraw/zinc/25/98/84/142259884.db2.gz CAXYZJIECVDUFO-IINYFYTJSA-N 2 0 328.254 1.595 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000340284142 142329850 /nfs/dbraw/zinc/32/98/50/142329850.db2.gz KYIXHTFFQPIHMF-FDQGKXFDSA-N 2 0 337.439 1.378 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)CCC[N@@H+]1C ZINC000345434659 143090772 /nfs/dbraw/zinc/09/07/72/143090772.db2.gz WXAXYXJVRRZUCN-KBAYOESNSA-N 2 0 332.492 1.941 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345751576 143129019 /nfs/dbraw/zinc/12/90/19/143129019.db2.gz CRPLIASAKXJWGI-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](CCCCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000345986213 143154283 /nfs/dbraw/zinc/15/42/83/143154283.db2.gz BMMOVFRANQGLFJ-KEYYUXOJSA-N 2 0 345.443 1.011 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000346378183 143198581 /nfs/dbraw/zinc/19/85/81/143198581.db2.gz RTEQKXAFAYJBFJ-IRXDYDNUSA-N 2 0 345.491 1.193 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](CC3CC3)CC2)[N@H+](C)C1 ZINC000346632412 143224211 /nfs/dbraw/zinc/22/42/11/143224211.db2.gz KPDXYUGGOXVJQL-DLBZAZTESA-N 2 0 338.496 1.221 20 0 EDADRP COC(=O)CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000346814130 143248249 /nfs/dbraw/zinc/24/82/49/143248249.db2.gz BQLSELQXPJLYSQ-BHYGNILZSA-N 2 0 334.464 1.622 20 0 EDADRP COC(=O)CCn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000346814132 143248252 /nfs/dbraw/zinc/24/82/52/143248252.db2.gz BQLSELQXPJLYSQ-USXIJHARSA-N 2 0 334.464 1.622 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346841565 143250700 /nfs/dbraw/zinc/25/07/00/143250700.db2.gz GWTMMECVJPVARE-BHYGNILZSA-N 2 0 334.464 1.621 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000347028003 143273539 /nfs/dbraw/zinc/27/35/39/143273539.db2.gz VRLIIIBCRZDISC-TZMCWYRMSA-N 2 0 338.477 1.282 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[NH+](C)C1 ZINC000347479901 143326914 /nfs/dbraw/zinc/32/69/14/143326914.db2.gz NILJTFFEXMNHAN-SLUKUZTOSA-N 2 0 338.496 1.362 20 0 EDADRP CC[C@@H](C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)[NH+](C)C ZINC000347485894 143327532 /nfs/dbraw/zinc/32/75/32/143327532.db2.gz PPNHMYUFIJTWFQ-KRWDZBQOSA-N 2 0 327.513 1.924 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000416857149 304352037 /nfs/dbraw/zinc/35/20/37/304352037.db2.gz RRQOAYYHEKPGEU-VBQJREDUSA-N 2 0 334.464 1.867 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000416857145 304352059 /nfs/dbraw/zinc/35/20/59/304352059.db2.gz RRQOAYYHEKPGEU-CPUCHLNUSA-N 2 0 334.464 1.867 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)C1 ZINC000416867012 304353179 /nfs/dbraw/zinc/35/31/79/304353179.db2.gz KVVVDMFLXPORKI-HZPDHXFCSA-N 2 0 328.501 1.358 20 0 EDADRP CC[C@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000352851114 149189826 /nfs/dbraw/zinc/18/98/26/149189826.db2.gz AFVNDWVCTUYDKL-RTBURBONSA-N 2 0 347.503 1.860 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000353027662 149259313 /nfs/dbraw/zinc/25/93/13/149259313.db2.gz JIJSPEYJDDSIAS-OAHLLOKOSA-N 2 0 342.553 1.845 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000353163081 149308063 /nfs/dbraw/zinc/30/80/63/149308063.db2.gz QZGXDINMSTUFFJ-AWEZNQCLSA-N 2 0 326.485 1.004 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)NCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000353226100 149331358 /nfs/dbraw/zinc/33/13/58/149331358.db2.gz CMTRFGSVYCXGPE-OAHLLOKOSA-N 2 0 340.512 1.103 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000353227992 149331497 /nfs/dbraw/zinc/33/14/97/149331497.db2.gz UTHPZDYKQQGRQR-UHFFFAOYSA-N 2 0 338.455 1.680 20 0 EDADRP CCC[C@H]1CN(c2ccnc(N3CCOCC3)n2)CC[N@@H+]1CCOC ZINC000353265831 149346314 /nfs/dbraw/zinc/34/63/14/149346314.db2.gz MXJBYRGSXDCDGV-INIZCTEOSA-N 2 0 349.479 1.250 20 0 EDADRP CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000416965683 304356609 /nfs/dbraw/zinc/35/66/09/304356609.db2.gz DKGUSEXEPYTGRW-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353671993 149484555 /nfs/dbraw/zinc/48/45/55/149484555.db2.gz PPGLGQRBRRUZLG-UHFFFAOYSA-N 2 0 327.469 1.158 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000416967357 304356807 /nfs/dbraw/zinc/35/68/07/304356807.db2.gz GWFQJNISOZRLST-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1C[NH3+] ZINC000416971690 304357809 /nfs/dbraw/zinc/35/78/09/304357809.db2.gz DPBGDBFQTNDGFO-DOTOQJQBSA-N 2 0 348.491 1.753 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CCO[C@@H](C[NH3+])C2)CC1 ZINC000416969367 304357462 /nfs/dbraw/zinc/35/74/62/304357462.db2.gz BRJCQWJNCVERBD-SFHVURJKSA-N 2 0 346.475 1.329 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354948200 150049791 /nfs/dbraw/zinc/04/97/91/150049791.db2.gz QJUILELJDZKPPA-FUHWJXTLSA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)[C@H](C)C[NH3+] ZINC000416980732 304360918 /nfs/dbraw/zinc/36/09/18/304360918.db2.gz BSMAQHIQGNYXAJ-OAHLLOKOSA-N 2 0 336.480 1.896 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355089722 150111718 /nfs/dbraw/zinc/11/17/18/150111718.db2.gz SBTITXUMEGKJKK-JFIYKMOQSA-N 2 0 332.492 1.430 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355101818 150117190 /nfs/dbraw/zinc/11/71/90/150117190.db2.gz ISINOOHHAZTCJR-CVEARBPZSA-N 2 0 339.528 1.137 20 0 EDADRP O=C(Cc1ccoc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355292488 150202451 /nfs/dbraw/zinc/20/24/51/150202451.db2.gz PFMICIHIDNAZBH-UHFFFAOYSA-N 2 0 328.416 1.546 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H](c3ccccc3)N(C)C)[C@@H]2C1 ZINC000355378103 150241233 /nfs/dbraw/zinc/24/12/33/150241233.db2.gz ZVFZMKWMEBYIQW-FGTMMUONSA-N 2 0 331.460 1.611 20 0 EDADRP [NH3+][C@@H](CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000417028752 304362115 /nfs/dbraw/zinc/36/21/15/304362115.db2.gz VCKLUULXENLMFR-SFHVURJKSA-N 2 0 345.491 1.235 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000355452933 150274409 /nfs/dbraw/zinc/27/44/09/150274409.db2.gz TUZQUHRDPKZNNJ-AEFFLSMTSA-N 2 0 348.491 1.527 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCc2nc(C(C)C)[nH]c2C1 ZINC000355658472 150352791 /nfs/dbraw/zinc/35/27/91/150352791.db2.gz KVBVMAPLBMNVCK-CABCVRRESA-N 2 0 348.491 1.865 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC23CCCC3)C1 ZINC000370031885 155290530 /nfs/dbraw/zinc/29/05/30/155290530.db2.gz IKYDAYMYWJAEDY-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000417068384 304368766 /nfs/dbraw/zinc/36/87/66/304368766.db2.gz JMUKJYILIOUJAL-WMLDXEAASA-N 2 0 334.508 1.890 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@H](CCO)C1 ZINC000357825776 151162780 /nfs/dbraw/zinc/16/27/80/151162780.db2.gz FJAUAXDNBXXUMA-BHIYHBOVSA-N 2 0 345.487 1.470 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000357960638 151212054 /nfs/dbraw/zinc/21/20/54/151212054.db2.gz QOASTKJTFYAPNC-HZPDHXFCSA-N 2 0 327.517 1.042 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@]2(O)CC[NH+](C)C2)cc1 ZINC000358059238 151251874 /nfs/dbraw/zinc/25/18/74/151251874.db2.gz DCBURSBYXCXGCM-IBGZPJMESA-N 2 0 333.476 1.715 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260691 151319843 /nfs/dbraw/zinc/31/98/43/151319843.db2.gz VPYUMNZJXFBLNY-LJQANCHMSA-N 2 0 335.467 1.489 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000358281945 151325632 /nfs/dbraw/zinc/32/56/32/151325632.db2.gz WWYIKYBJXMZLQZ-AWEZNQCLSA-N 2 0 334.464 1.906 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000358433793 151374541 /nfs/dbraw/zinc/37/45/41/151374541.db2.gz IINSHJBDISEBTB-JKSUJKDBSA-N 2 0 342.528 1.593 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1CC[NH+](C2CCOCC2)CC1 ZINC000370063857 155308873 /nfs/dbraw/zinc/30/88/73/155308873.db2.gz FHQSGMPISQDWQS-NVXWUHKLSA-N 2 0 336.480 1.119 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[NH2+]1 ZINC000358849434 151518353 /nfs/dbraw/zinc/51/83/53/151518353.db2.gz CMWKPSOQPYZMGP-HOCLYGCPSA-N 2 0 331.460 1.970 20 0 EDADRP C[NH+]1CC[C@@H]2CCN(CCCCN3CC[C@@H]4CC[N@@H+](C)[C@@H]4C3)C[C@H]21 ZINC000370084318 155316836 /nfs/dbraw/zinc/31/68/36/155316836.db2.gz VBLZUAXJCQRHRW-IYWMVGAKSA-N 2 0 334.552 1.819 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CCO)C1CCOCC1 ZINC000359652697 151779282 /nfs/dbraw/zinc/77/92/82/151779282.db2.gz XKNVXXVUAFTTSU-SFHVURJKSA-N 2 0 330.432 1.843 20 0 EDADRP COc1ccc(F)cc1C[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000360982690 152270267 /nfs/dbraw/zinc/27/02/67/152270267.db2.gz KMQCPDXHHHXUDO-UHFFFAOYSA-N 2 0 339.455 1.314 20 0 EDADRP C[C@@H](NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000417148587 304377916 /nfs/dbraw/zinc/37/79/16/304377916.db2.gz HCVVAIPQIWVFHH-DLBZAZTESA-N 2 0 347.507 1.624 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000574056484 306642156 /nfs/dbraw/zinc/64/21/56/306642156.db2.gz NRGACBWJVLDGQM-QAPCUYQASA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H](N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708463 153035726 /nfs/dbraw/zinc/03/57/26/153035726.db2.gz SUEYGCZZJQITGS-FXUDXRNXSA-N 2 0 347.463 1.283 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000364061493 153136050 /nfs/dbraw/zinc/13/60/50/153136050.db2.gz PIBZSKQLPAZVOY-MRXNPFEDSA-N 2 0 331.460 1.937 20 0 EDADRP Cn1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2cnn(C)c2)CC3)cn1 ZINC000364080178 153139542 /nfs/dbraw/zinc/13/95/42/153139542.db2.gz DUOQIRWVXTXYBK-UHFFFAOYSA-N 2 0 328.464 1.642 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CC[C@@]4(CCC[C@H]4[NH3+])C3)ccn2)CC1 ZINC000364195228 153169011 /nfs/dbraw/zinc/16/90/11/153169011.db2.gz PLUZKTLNGPQSIW-APWZRJJASA-N 2 0 343.475 1.177 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000364332536 153206938 /nfs/dbraw/zinc/20/69/38/153206938.db2.gz PQAQVWAUXQNXKC-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)c1ccccc1 ZINC000364799185 153338464 /nfs/dbraw/zinc/33/84/64/153338464.db2.gz SMWZGAPHMZGLRR-SZVBFZGTSA-N 2 0 331.460 1.478 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417240117 304386978 /nfs/dbraw/zinc/38/69/78/304386978.db2.gz PDRRUBKSVRAVAR-OWCLPIDISA-N 2 0 340.512 1.645 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366377082 153797927 /nfs/dbraw/zinc/79/79/27/153797927.db2.gz IDQWFUNSNOYRLA-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H]2C[NH+]3CCN2CCC3)c1 ZINC000367202597 154040829 /nfs/dbraw/zinc/04/08/29/154040829.db2.gz WIDWKGZQOFMCPN-GOSISDBHSA-N 2 0 330.476 1.144 20 0 EDADRP C[N@H+](C[C@H]1CC12CC[NH+](CCCOC(=O)NC(N)=O)CC2)C1CC1 ZINC000367397105 154105308 /nfs/dbraw/zinc/10/53/08/154105308.db2.gz QTVLJTQIWUAHBJ-CYBMUJFWSA-N 2 0 338.452 1.378 20 0 EDADRP COCCCNC(=O)[C@H](C)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367904144 154318647 /nfs/dbraw/zinc/31/86/47/154318647.db2.gz NJKHICSNRXDKKD-INIZCTEOSA-N 2 0 348.491 1.771 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000417358320 304394913 /nfs/dbraw/zinc/39/49/13/304394913.db2.gz FIYCHQFAVVYERQ-CJNGLKHVSA-N 2 0 336.505 1.997 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000369395572 155012272 /nfs/dbraw/zinc/01/22/72/155012272.db2.gz NUGYNNWAYHUBNM-OIISXLGYSA-N 2 0 338.496 1.269 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000369435613 155031570 /nfs/dbraw/zinc/03/15/70/155031570.db2.gz SQDVSARSFYSCTA-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[C@@H](OC)C[C@@H]2C[NH3+])CC1 ZINC000417394583 304396158 /nfs/dbraw/zinc/39/61/58/304396158.db2.gz QIYFPEMBAHVAON-HZPDHXFCSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417481786 304399270 /nfs/dbraw/zinc/39/92/70/304399270.db2.gz OJRCEMLITQFQCP-HNNXBMFYSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373886617 157049790 /nfs/dbraw/zinc/04/97/90/157049790.db2.gz UKWMFIJVKGOUKO-FUHWJXTLSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]1CN(Cc2ncc(Cl)n2C)CCN1C1CC[NH+](C)CC1 ZINC000374253130 157213762 /nfs/dbraw/zinc/21/37/62/157213762.db2.gz FBZYJIBJECWCBS-CYBMUJFWSA-N 2 0 325.888 1.674 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000376721010 157821986 /nfs/dbraw/zinc/82/19/86/157821986.db2.gz PRAJJBAPJNWAFU-WMZOPIPTSA-N 2 0 337.439 1.561 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC000377539812 157946160 /nfs/dbraw/zinc/94/61/60/157946160.db2.gz FYFKXYMYEIVBOJ-CVEARBPZSA-N 2 0 333.432 1.048 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCCc2nccn21 ZINC000377955036 158039322 /nfs/dbraw/zinc/03/93/22/158039322.db2.gz XULULEVUNYQDBE-MRXNPFEDSA-N 2 0 335.496 1.493 20 0 EDADRP CC[C@H](NC(=O)/C=C/C[NH+](C)C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000378156794 158095256 /nfs/dbraw/zinc/09/52/56/158095256.db2.gz AIBUJTVIVROOJI-GWDHXLPESA-N 2 0 345.487 1.900 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]C1 ZINC000378211185 158111550 /nfs/dbraw/zinc/11/15/50/158111550.db2.gz OTISIFUGCZFWCQ-FUHWJXTLSA-N 2 0 337.439 1.561 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)CC1 ZINC000378214898 158112182 /nfs/dbraw/zinc/11/21/82/158112182.db2.gz NUESYFNFVYNTEJ-UHFFFAOYSA-N 2 0 329.488 1.934 20 0 EDADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378268150 158125305 /nfs/dbraw/zinc/12/53/05/158125305.db2.gz DFEPRCRXPDTWNL-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP COC(=O)c1ccnc(N2CCC[N@H+](CCCn3ccnc3)CC2)c1 ZINC000378445281 158175545 /nfs/dbraw/zinc/17/55/45/158175545.db2.gz RMIUKVOACWNMQN-UHFFFAOYSA-N 2 0 343.431 1.667 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000352150525 162014763 /nfs/dbraw/zinc/01/47/63/162014763.db2.gz TZXPKUDUNDSDOG-KRWDZBQOSA-N 2 0 347.507 1.616 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000352208705 162050306 /nfs/dbraw/zinc/05/03/06/162050306.db2.gz RZODFBPYGJTTIN-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000352208909 162051783 /nfs/dbraw/zinc/05/17/83/162051783.db2.gz VXURNLJAQBHRCL-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352208719 162052401 /nfs/dbraw/zinc/05/24/01/162052401.db2.gz SFKDTKJNTABUIF-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000366349654 162377528 /nfs/dbraw/zinc/37/75/28/162377528.db2.gz VVQZJFKTPKFVKT-CQSZACIVSA-N 2 0 329.448 1.984 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417997510 304444025 /nfs/dbraw/zinc/44/40/25/304444025.db2.gz UAFHKZSXVILYCG-MRXNPFEDSA-N 2 0 348.491 1.598 20 0 EDADRP C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@H](c1ccccc1)[NH+](C)C ZINC000418178526 304460311 /nfs/dbraw/zinc/46/03/11/304460311.db2.gz IYYDRQREDVHAKT-AEGPPILISA-N 2 0 340.418 1.974 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000418212813 304464898 /nfs/dbraw/zinc/46/48/98/304464898.db2.gz VBBJQAYJEVRLED-DOTOQJQBSA-N 2 0 334.464 1.738 20 0 EDADRP Cc1nc(C)c(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000077824834 287290909 /nfs/dbraw/zinc/29/09/09/287290909.db2.gz WOYDXFOFHYOMAD-UHFFFAOYSA-N 2 0 341.525 1.437 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353435563 287318141 /nfs/dbraw/zinc/31/81/41/287318141.db2.gz WQYWPGVVXPULLC-IRXDYDNUSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000169124030 226233632 /nfs/dbraw/zinc/23/36/32/226233632.db2.gz UNRSRCOGDZKZQM-INMHGKMJSA-N 2 0 331.460 1.248 20 0 EDADRP COC1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC[NH2+]CC1 ZINC000169236604 226234836 /nfs/dbraw/zinc/23/48/36/226234836.db2.gz MMIOCUQCWUDCBI-UHFFFAOYSA-N 2 0 344.459 1.910 20 0 EDADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205482 221785396 /nfs/dbraw/zinc/78/53/96/221785396.db2.gz PIVWETUNDPEODI-HOCLYGCPSA-N 2 0 331.526 1.558 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000171645728 227193604 /nfs/dbraw/zinc/19/36/04/227193604.db2.gz ZGUMQPVMHPYXOO-GOSISDBHSA-N 2 0 345.491 1.782 20 0 EDADRP C[C@@H](C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1)CN1CC[NH+](C)CC1 ZINC000132188734 287521771 /nfs/dbraw/zinc/52/17/71/287521771.db2.gz DSZIKROYVJJZQA-JKSUJKDBSA-N 2 0 340.512 1.469 20 0 EDADRP COCC1(CNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[NH2+]CC1 ZINC000418471917 304499910 /nfs/dbraw/zinc/49/99/10/304499910.db2.gz WGGSZUFDHVHXAF-CQSZACIVSA-N 2 0 334.464 1.522 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000237186740 267925707 /nfs/dbraw/zinc/92/57/07/267925707.db2.gz QJLYYYCJYSZFTO-MRXNPFEDSA-N 2 0 335.448 1.012 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1cccs1 ZINC000279082162 273279085 /nfs/dbraw/zinc/27/90/85/273279085.db2.gz VGQZZOBYYXFLFW-RISCZKNCSA-N 2 0 333.461 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cnccn1 ZINC000279667786 273315954 /nfs/dbraw/zinc/31/59/54/273315954.db2.gz HGAOTIOTHOPYRL-KRWDZBQOSA-N 2 0 333.480 1.284 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC2)CC1 ZINC000655917400 452678880 /nfs/dbraw/zinc/67/88/80/452678880.db2.gz QRXJMAGPDYEDGE-WXRRBKDZSA-N 2 0 336.402 1.782 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568287 276161662 /nfs/dbraw/zinc/16/16/62/276161662.db2.gz GPJRUDVVYMJPJJ-FRQCXROJSA-N 2 0 329.444 1.803 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)[C@@H](C)[NH3+])CC1 ZINC000416995221 276196913 /nfs/dbraw/zinc/19/69/13/276196913.db2.gz SQWUEQSYXBQXBG-HZPDHXFCSA-N 2 0 347.507 1.359 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000340115340 276315446 /nfs/dbraw/zinc/31/54/46/276315446.db2.gz YULFYWIHTOMSKO-HZMVEIRTSA-N 2 0 325.497 1.615 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000285969290 287903591 /nfs/dbraw/zinc/90/35/91/287903591.db2.gz HDTMIUVGQZWLRP-AWEZNQCLSA-N 2 0 341.402 1.234 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C3CC3)C2)[C@@H]1c1ccccc1 ZINC000340090979 277167766 /nfs/dbraw/zinc/16/77/66/277167766.db2.gz VLPZBZOKTBXPFI-SZMVWBNQSA-N 2 0 328.460 1.968 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000107844935 277212375 /nfs/dbraw/zinc/21/23/75/277212375.db2.gz FDSRCKDKSZFDCW-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000237195150 277229501 /nfs/dbraw/zinc/22/95/01/277229501.db2.gz SNINWBZCMLCVAO-KRWDZBQOSA-N 2 0 349.475 1.574 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000366548781 277720178 /nfs/dbraw/zinc/72/01/78/277720178.db2.gz CNKWALJTCBDABX-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353439025 277837336 /nfs/dbraw/zinc/83/73/36/277837336.db2.gz CYFHCUAXNOTMMW-UAGQMJEPSA-N 2 0 325.497 1.172 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564595 278002812 /nfs/dbraw/zinc/00/28/12/278002812.db2.gz MHZIBJMZTNORCQ-QLFBSQMISA-N 2 0 333.480 1.584 20 0 EDADRP C[C@@H]([NH2+]CCCNC(=O)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422864344 278345720 /nfs/dbraw/zinc/34/57/20/278345720.db2.gz UUNBTOWRJHUVBQ-LLVKDONJSA-N 2 0 340.265 1.767 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333923683 278350513 /nfs/dbraw/zinc/35/05/13/278350513.db2.gz SLPRVSAWOHRQDT-MWDXBVQZSA-N 2 0 334.508 1.794 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000420129455 278723033 /nfs/dbraw/zinc/72/30/33/278723033.db2.gz UZIACDOAJQTHQS-JKSUJKDBSA-N 2 0 338.496 1.097 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+]2CCCC2)cc1 ZINC000261680587 278844257 /nfs/dbraw/zinc/84/42/57/278844257.db2.gz GVVYTMOMDNGOHP-KURKYZTESA-N 2 0 331.460 1.754 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2cncc2C1 ZINC000343340167 279302642 /nfs/dbraw/zinc/30/26/42/279302642.db2.gz MWCXZUBXMKEOHN-DLBZAZTESA-N 2 0 347.507 1.320 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347890737 279349902 /nfs/dbraw/zinc/34/99/02/279349902.db2.gz AVMYCQXIVGQXGG-YJBOKZPZSA-N 2 0 335.496 1.602 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418638004 288145367 /nfs/dbraw/zinc/14/53/67/288145367.db2.gz KKVBEMVNZUANIQ-HUUCEWRRSA-N 2 0 340.512 1.251 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C[C@H]1c1ccc(F)cc1 ZINC000363704426 279680743 /nfs/dbraw/zinc/68/07/43/279680743.db2.gz ULESSGKUXDQIDT-MWTISTBLSA-N 2 0 331.435 2.000 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC2CC[NH+](C)CC2)C[C@@H](C)O1 ZINC000356278870 288162320 /nfs/dbraw/zinc/16/23/20/288162320.db2.gz KFYCFMOXYOBENY-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000262853963 280217877 /nfs/dbraw/zinc/21/78/77/280217877.db2.gz VQTRXGWOLJXYIR-CVEARBPZSA-N 2 0 331.464 1.366 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496215486 288984261 /nfs/dbraw/zinc/98/42/61/288984261.db2.gz DAOSRHXCEXQTBP-HHXXYDBFSA-N 2 0 348.491 1.419 20 0 EDADRP C[NH+](C)CCOc1ccccc1CN[C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422824985 289172643 /nfs/dbraw/zinc/17/26/43/289172643.db2.gz OUIFWBHKETXGAJ-GUDVDZBRSA-N 2 0 347.503 1.874 20 0 EDADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420349093 289328941 /nfs/dbraw/zinc/32/89/41/289328941.db2.gz NRWZSQYPHPPNNQ-NUJGCVRESA-N 2 0 342.487 1.332 20 0 EDADRP CN(C(=O)NC[C@]1([NH+](C)C)CCSC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000360748587 289341599 /nfs/dbraw/zinc/34/15/99/289341599.db2.gz XBJQJAFMEFPMBA-GDBMZVCRSA-N 2 0 326.510 1.302 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860205 289604667 /nfs/dbraw/zinc/60/46/67/289604667.db2.gz MAUOMMOJEUJRFQ-POAQFYNOSA-N 3 0 344.503 1.468 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000333407566 290274846 /nfs/dbraw/zinc/27/48/46/290274846.db2.gz QWEFSMRVZVDZRR-OWCLPIDISA-N 2 0 345.491 1.999 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000333379194 290275067 /nfs/dbraw/zinc/27/50/67/290275067.db2.gz NKAARJLQLJCVEV-ARFHVFGLSA-N 2 0 345.491 1.999 20 0 EDADRP C[C@@H]1C[NH+](C[C@H]2CCCN2C(=O)CCCCCC[NH3+])C[C@@H](C)O1 ZINC000237509653 297025502 /nfs/dbraw/zinc/02/55/02/297025502.db2.gz TUZBPVCVCWVLHL-BRWVUGGUSA-N 2 0 325.497 1.996 20 0 EDADRP COc1ccc([C@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]2CCCC2)cc1 ZINC000262819066 295241436 /nfs/dbraw/zinc/24/14/36/295241436.db2.gz GQIHKMIFLTUTHO-IRXDYDNUSA-N 2 0 335.448 1.312 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000418542077 304510353 /nfs/dbraw/zinc/51/03/53/304510353.db2.gz HESBVRNHXLYMJI-KCMWZYNZSA-N 2 0 346.475 1.580 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356217854 297357550 /nfs/dbraw/zinc/35/75/50/297357550.db2.gz DMILTYLKGKGVEK-CALCHBBNSA-N 2 0 347.507 1.973 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000419637497 447310988 /nfs/dbraw/zinc/31/09/88/447310988.db2.gz AMPSPAFWKYLXKX-CYBMUJFWSA-N 2 0 334.464 1.086 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCCO1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000372842835 447311213 /nfs/dbraw/zinc/31/12/13/447311213.db2.gz QWAFVOBKIKGFAJ-JFIYKMOQSA-N 2 0 349.519 1.866 20 0 EDADRP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CCC)CC1 ZINC000419827957 304691431 /nfs/dbraw/zinc/69/14/31/304691431.db2.gz RVVCSWSWNWSNAD-QUCCMNQESA-N 2 0 349.519 1.830 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCc1cccnc1N1CCOCC1 ZINC000296570202 303325102 /nfs/dbraw/zinc/32/51/02/303325102.db2.gz VYQBPDACQWQWEZ-QGZVFWFLSA-N 2 0 340.427 1.543 20 0 EDADRP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414863350 447333203 /nfs/dbraw/zinc/33/32/03/447333203.db2.gz ILVHZJFRHKCOLS-UHFFFAOYSA-N 2 0 327.476 1.991 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000300371574 303658355 /nfs/dbraw/zinc/65/83/55/303658355.db2.gz LBLMGVQAZNDHAC-JKIFEVAISA-N 2 0 329.485 1.725 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2)C(C)C ZINC000414875785 447339124 /nfs/dbraw/zinc/33/91/24/447339124.db2.gz JSLIQVVFGDEXTL-UHFFFAOYSA-N 2 0 332.448 1.117 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414879702 447341000 /nfs/dbraw/zinc/34/10/00/447341000.db2.gz ISPLEEMZRNLUCJ-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C(=O)N2CCCCC2)CC[NH2+]CC1 ZINC000422961563 304881092 /nfs/dbraw/zinc/88/10/92/304881092.db2.gz ZFWASDHUFZYZIG-GJZGRUSLSA-N 2 0 339.480 1.298 20 0 EDADRP CN(CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1ccc(F)cc1 ZINC000423102536 304886262 /nfs/dbraw/zinc/88/62/62/304886262.db2.gz WYSXVKYNCDDJPJ-CZUORRHYSA-N 2 0 343.468 1.553 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000423718509 304905625 /nfs/dbraw/zinc/90/56/25/304905625.db2.gz LFMUAQGNHQCMKL-GOSISDBHSA-N 2 0 344.503 1.309 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)[C@H]1CCC[NH2+]C1 ZINC000423730898 304906615 /nfs/dbraw/zinc/90/66/15/304906615.db2.gz NSGHHXPCSDVLCH-HOTGVXAUSA-N 2 0 345.491 1.798 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000423744351 304907509 /nfs/dbraw/zinc/90/75/09/304907509.db2.gz NWSPSYMIANJWSV-IEBWSBKVSA-N 2 0 330.476 1.099 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000424454876 304930156 /nfs/dbraw/zinc/93/01/56/304930156.db2.gz MNQKZHIPDVTRNT-GDBMZVCRSA-N 2 0 332.448 1.381 20 0 EDADRP CS[C@H]1CC[C@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000425361231 304961833 /nfs/dbraw/zinc/96/18/33/304961833.db2.gz UCWKQPALSAAWHI-IKGGRYGDSA-N 2 0 335.517 1.759 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000427900608 305000762 /nfs/dbraw/zinc/00/07/62/305000762.db2.gz ZFDYKBKYORBJOX-YJBOKZPZSA-N 2 0 335.492 1.573 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@](C)(C[NH3+])C2CC2)cc1 ZINC000430597930 305057663 /nfs/dbraw/zinc/05/76/63/305057663.db2.gz RHYONTTUZHWRSW-MRXNPFEDSA-N 2 0 341.477 1.033 20 0 EDADRP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000430628131 305060008 /nfs/dbraw/zinc/06/00/08/305060008.db2.gz OBYGPWACVGEMAT-CABCVRRESA-N 2 0 332.448 1.109 20 0 EDADRP CC(C)(C[NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000430705434 305062926 /nfs/dbraw/zinc/06/29/26/305062926.db2.gz AINNVGNHCQGVTF-UHFFFAOYSA-N 2 0 325.497 1.901 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000430924866 305068558 /nfs/dbraw/zinc/06/85/58/305068558.db2.gz JZIMEYADEDNVCU-HNNXBMFYSA-N 2 0 341.459 1.548 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@@H](C[NH3+])C2)CC1 ZINC000430960082 305071020 /nfs/dbraw/zinc/07/10/20/305071020.db2.gz GXGDOXFCLLLTTJ-SFHVURJKSA-N 2 0 344.503 1.310 20 0 EDADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430966738 305071488 /nfs/dbraw/zinc/07/14/88/305071488.db2.gz PLUIWXXEJKVJIS-UONOGXRCSA-N 2 0 349.475 1.940 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431856304 305084024 /nfs/dbraw/zinc/08/40/24/305084024.db2.gz VLODMLFSUJQISV-QZTJIDSGSA-N 2 0 338.540 1.641 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076196 305086999 /nfs/dbraw/zinc/08/69/99/305086999.db2.gz GSQTZBDBJHXCTK-OCCSQVGLSA-N 2 0 347.463 1.551 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000433113083 305100576 /nfs/dbraw/zinc/10/05/76/305100576.db2.gz CYMLUAYOZZFOGN-UHFFFAOYSA-N 2 0 346.410 1.548 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](c3ccccc3)C2)CC1 ZINC000433125237 305101036 /nfs/dbraw/zinc/10/10/36/305101036.db2.gz IRPBZLQTSIQNOD-GOSISDBHSA-N 2 0 331.460 1.790 20 0 EDADRP C[N@H+](CCNC(=O)CCC[NH+]1CCC([NH3+])CC1)Cc1ccccc1 ZINC000433122246 305101078 /nfs/dbraw/zinc/10/10/78/305101078.db2.gz VFNGYAXISWZGEZ-UHFFFAOYSA-N 3 0 332.492 1.438 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000433127057 305101289 /nfs/dbraw/zinc/10/12/89/305101289.db2.gz QUHAMNZSDWYBDL-UHFFFAOYSA-N 3 0 336.524 1.667 20 0 EDADRP CCN(CC)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cn1 ZINC000433140772 305101511 /nfs/dbraw/zinc/10/15/11/305101511.db2.gz JSLZMYARZDVCCX-UHFFFAOYSA-N 2 0 347.507 1.747 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@H]2CCOc3ccccc32)CC1 ZINC000433141315 305101519 /nfs/dbraw/zinc/10/15/19/305101519.db2.gz NXDTYSQLOOWLEE-OAHLLOKOSA-N 2 0 331.460 1.872 20 0 EDADRP Cn1cnnc1-c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433141523 305101602 /nfs/dbraw/zinc/10/16/02/305101602.db2.gz AILLSXCVBNQWKA-UHFFFAOYSA-N 2 0 342.447 1.624 20 0 EDADRP Cc1ccc(NC(=O)CN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433139882 305101609 /nfs/dbraw/zinc/10/16/09/305101609.db2.gz CYOYOJAWQJYDSG-UHFFFAOYSA-N 2 0 346.475 1.595 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433376331 305106794 /nfs/dbraw/zinc/10/67/94/305106794.db2.gz NFLBROLIPXYGPS-CABCVRRESA-N 2 0 334.468 1.007 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433458675 305109951 /nfs/dbraw/zinc/10/99/51/305109951.db2.gz IEQNXRYVQDNFMB-QGZVFWFLSA-N 2 0 342.528 1.861 20 0 EDADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)C1CC[NH+](C)CC1 ZINC000435599291 305143102 /nfs/dbraw/zinc/14/31/02/305143102.db2.gz SJTOQBKFHRDRMG-AWEZNQCLSA-N 2 0 336.505 1.731 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000442144584 305226065 /nfs/dbraw/zinc/22/60/65/305226065.db2.gz IGPIPDKLUJEOMP-RHSMWYFYSA-N 2 0 346.475 1.328 20 0 EDADRP CCOC1CC(C[NH2+]C2CC[NH+](CC)CC2)(N2CCOCC2)C1 ZINC000446849268 305271196 /nfs/dbraw/zinc/27/11/96/305271196.db2.gz MITKCDDTLRLOSR-UHFFFAOYSA-N 2 0 325.497 1.330 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000447302751 305277443 /nfs/dbraw/zinc/27/74/43/305277443.db2.gz FYNUIGHQLIUSEY-UIBIWLFHSA-N 2 0 328.497 1.641 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000449090284 305306269 /nfs/dbraw/zinc/30/62/69/305306269.db2.gz GISKUNWPQWOZFP-GOEBONIOSA-N 2 0 340.489 1.240 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000449120118 305307122 /nfs/dbraw/zinc/30/71/22/305307122.db2.gz BRTCDVZTOOGLOD-OAHLLOKOSA-N 2 0 325.497 1.914 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H]2CCC[C@H]2O)CC1 ZINC000451410124 305344263 /nfs/dbraw/zinc/34/42/63/305344263.db2.gz BKSZIPHUPFVJDP-RCCFBDPRSA-N 2 0 337.508 1.601 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@H]2CCC[C@@H]2O)CC1 ZINC000451410120 305344300 /nfs/dbraw/zinc/34/43/00/305344300.db2.gz BKSZIPHUPFVJDP-KURKYZTESA-N 2 0 337.508 1.601 20 0 EDADRP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](CC3(O)CCCC3)C2)CC1 ZINC000451535287 305351929 /nfs/dbraw/zinc/35/19/29/305351929.db2.gz OGZYBHUCYUSQRL-GOSISDBHSA-N 2 0 337.508 1.558 20 0 EDADRP CO[C@@H]1CC[N@H+](CCOCC[NH+]2CC[C@H](OC)[C@@H](C)C2)C[C@H]1C ZINC000451565630 305353949 /nfs/dbraw/zinc/35/39/49/305353949.db2.gz LMBNDZQNVJORGL-USTZCAOPSA-N 2 0 328.497 1.717 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000451988734 305376537 /nfs/dbraw/zinc/37/65/37/305376537.db2.gz PKFLELWTRSDHAR-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](CCCO)C1)c1ccccc1 ZINC000452126840 305384298 /nfs/dbraw/zinc/38/42/98/305384298.db2.gz VAINENCEHFZXKY-AEFFLSMTSA-N 2 0 333.476 1.500 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CCO)[N@H+](C)Cc1ccccc1 ZINC000452367689 305393526 /nfs/dbraw/zinc/39/35/26/305393526.db2.gz BTDKKFWUBWVHEI-RBUKOAKNSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000457573952 305492530 /nfs/dbraw/zinc/49/25/30/305492530.db2.gz JXAJEKOYMWYKJV-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1csc(=O)[nH]1 ZINC000471951290 305541616 /nfs/dbraw/zinc/54/16/16/305541616.db2.gz DBIGXRKDCHYRGE-UHFFFAOYSA-N 2 0 347.444 1.186 20 0 EDADRP c1c(C[NH2+]CCc2nnc3n2CCCCC3)onc1C1CC[NH2+]CC1 ZINC000425902469 447355092 /nfs/dbraw/zinc/35/50/92/447355092.db2.gz SUAACHUZUZISDD-UHFFFAOYSA-N 2 0 344.463 1.792 20 0 EDADRP COc1cc(C)ccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000449020984 447358935 /nfs/dbraw/zinc/35/89/35/447358935.db2.gz RQJAXOCNGKDEGB-UHFFFAOYSA-N 2 0 333.476 1.893 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2CC[NH2+]CC2)Cc2ccccc2C1 ZINC000519814411 305775509 /nfs/dbraw/zinc/77/55/09/305775509.db2.gz XLUMKHHLXFSWMN-UHFFFAOYSA-N 2 0 330.476 1.384 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCSCC1 ZINC000521424267 305789350 /nfs/dbraw/zinc/78/93/50/305789350.db2.gz HZCLCRCVAQYKMK-MJEQTWJJSA-N 2 0 325.522 1.755 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000521983204 305796528 /nfs/dbraw/zinc/79/65/28/305796528.db2.gz FKXDGANYSKSXIC-MRXNPFEDSA-N 2 0 345.491 1.868 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000529318198 305908495 /nfs/dbraw/zinc/90/84/95/305908495.db2.gz RRBCSGKSJGRNKR-ULQDDVLXSA-N 2 0 338.496 1.004 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)[C@H]2C1 ZINC000540913508 306041365 /nfs/dbraw/zinc/04/13/65/306041365.db2.gz RKBOVBQZIQNHEE-QRVBRYPASA-N 2 0 342.487 1.846 20 0 EDADRP CC[C@]1(O)CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000547649330 306106239 /nfs/dbraw/zinc/10/62/39/306106239.db2.gz MCZYIIXJAHMQQB-HQRMLTQVSA-N 2 0 345.487 1.612 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000548102189 306119996 /nfs/dbraw/zinc/11/99/96/306119996.db2.gz YBEXBGDBCMHWBP-SJORKVTESA-N 2 0 338.496 1.100 20 0 EDADRP CC[N@H+](CCNC(=O)N(C)CC[NH+]1CCCC1)CCC(F)(F)F ZINC000425957640 447367852 /nfs/dbraw/zinc/36/78/52/447367852.db2.gz JJFICNHEJWGPGO-UHFFFAOYSA-N 2 0 338.418 1.998 20 0 EDADRP C[C@H](CNC(=O)C(=O)NCCCCn1ccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000556642575 306212472 /nfs/dbraw/zinc/21/24/72/306212472.db2.gz UQRZHLABBNKDHO-HZPDHXFCSA-N 2 0 349.479 1.016 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000557099818 306223866 /nfs/dbraw/zinc/22/38/66/306223866.db2.gz FGVPAUBQYDLKPN-YJBOKZPZSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000557204746 306226377 /nfs/dbraw/zinc/22/63/77/306226377.db2.gz HMRFRNSKNMXNRE-PKOBYXMFSA-N 2 0 346.475 1.329 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660833951 453596417 /nfs/dbraw/zinc/59/64/17/453596417.db2.gz JSFBCTNCSLXRCD-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414976786 447381585 /nfs/dbraw/zinc/38/15/85/447381585.db2.gz QHARLWFFEMRLSG-QGZVFWFLSA-N 2 0 349.475 1.688 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C(C)(C)C[NH+](C)C ZINC000458515202 447396779 /nfs/dbraw/zinc/39/67/79/447396779.db2.gz KWPLSSRBGXEYGY-GJZGRUSLSA-N 2 0 328.501 1.109 20 0 EDADRP CCCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1CC[NH2+]CC1 ZINC000419796066 447416961 /nfs/dbraw/zinc/41/69/61/447416961.db2.gz MJWXQYYKCXOROJ-UHFFFAOYSA-N 2 0 340.512 1.212 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](Nc3ccc(C(F)(F)F)nn3)C2)CC1 ZINC000378363866 447422487 /nfs/dbraw/zinc/42/24/87/447422487.db2.gz NEIOLHHPAYHNIN-NSHDSACASA-N 2 0 329.370 2.076 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102221 441190085 /nfs/dbraw/zinc/19/00/85/441190085.db2.gz BTMHJJQLWCGOJO-UHFFFAOYSA-N 2 0 347.912 1.762 20 0 EDADRP Cc1ccc(F)c(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000104102223 441189846 /nfs/dbraw/zinc/18/98/46/441189846.db2.gz NTWHTQPJPZIVPX-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP CC[N@H+](CCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C(C)C ZINC000081397530 441264101 /nfs/dbraw/zinc/26/41/01/441264101.db2.gz JTWGMKUPZTUIGT-UHFFFAOYSA-N 2 0 347.507 1.440 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000106460392 441344657 /nfs/dbraw/zinc/34/46/57/441344657.db2.gz CKGGELXJRYERQE-GOSISDBHSA-N 2 0 332.492 1.959 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CC1 ZINC000378531038 447439633 /nfs/dbraw/zinc/43/96/33/447439633.db2.gz SQUXYFNHVYWELP-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[NH+](C)C ZINC000106918033 441390249 /nfs/dbraw/zinc/39/02/49/441390249.db2.gz OBYLOFIHQVHRDR-IBGZPJMESA-N 2 0 347.503 1.846 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1)C(C)C ZINC000106556161 441355747 /nfs/dbraw/zinc/35/57/47/441355747.db2.gz OFCURFPKYFDFCX-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000050203691 441377622 /nfs/dbraw/zinc/37/76/22/441377622.db2.gz JRIJPLKOLHYJSO-KRWDZBQOSA-N 2 0 344.459 1.383 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000085362918 441433915 /nfs/dbraw/zinc/43/39/15/441433915.db2.gz SWUFXJCSYURAIM-CVEARBPZSA-N 2 0 341.544 1.145 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000085387884 441436377 /nfs/dbraw/zinc/43/63/77/441436377.db2.gz DJJFEAXYEJENNM-ZACQAIPSSA-N 2 0 340.512 1.325 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000108590999 441467196 /nfs/dbraw/zinc/46/71/96/441467196.db2.gz DMFSHSLJTAJQND-KRWDZBQOSA-N 2 0 338.496 1.082 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000114506473 441665296 /nfs/dbraw/zinc/66/52/96/441665296.db2.gz GFRFOOUBJNGLJC-UHFFFAOYSA-N 2 0 330.476 1.648 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)CC1 ZINC000173388032 441731601 /nfs/dbraw/zinc/73/16/01/441731601.db2.gz VDHWNZRJQFDIPO-INIZCTEOSA-N 2 0 339.528 1.042 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000173398463 441734023 /nfs/dbraw/zinc/73/40/23/441734023.db2.gz MFXCFSFQNCLRKQ-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)C[N@H+](C)CCc2ccccc2)C[C@H](C)O1 ZINC000077171452 441728103 /nfs/dbraw/zinc/72/81/03/441728103.db2.gz SACBTDDCTWBBGR-ROUUACIJSA-N 2 0 347.503 1.776 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)CC1 ZINC000173894432 441857689 /nfs/dbraw/zinc/85/76/89/441857689.db2.gz JPVFZOZRGKQIAK-GOSISDBHSA-N 2 0 349.523 1.060 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C)c1 ZINC000068644078 441834966 /nfs/dbraw/zinc/83/49/66/441834966.db2.gz MNWLMFJFIMAHCW-HNNXBMFYSA-N 2 0 348.491 1.923 20 0 EDADRP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NC(N)=O ZINC000174155632 441893960 /nfs/dbraw/zinc/89/39/60/441893960.db2.gz IIGFQHPVEHBXCY-ZDUSSCGKSA-N 2 0 344.415 1.585 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000174804868 441970928 /nfs/dbraw/zinc/97/09/28/441970928.db2.gz QOOOTKPPHAFBSJ-UHFFFAOYSA-N 2 0 328.501 1.563 20 0 EDADRP C[N@H+](CCCOc1ccc2c(c1)OCO2)CCCN1CC[NH+](C)CC1 ZINC000174724662 441958865 /nfs/dbraw/zinc/95/88/65/441958865.db2.gz AWSRRTOYLYMAGQ-UHFFFAOYSA-N 2 0 349.475 1.754 20 0 EDADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C(N)=O ZINC000120098820 442007672 /nfs/dbraw/zinc/00/76/72/442007672.db2.gz YWPAJBHWWKMCBB-UHFFFAOYSA-N 2 0 335.452 1.051 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000151443685 442063223 /nfs/dbraw/zinc/06/32/23/442063223.db2.gz FARBYOQBTPMKAW-CQSZACIVSA-N 2 0 333.432 1.876 20 0 EDADRP Cc1cc2ncc([C@@H](C)[NH2+]CCCN3CC[NH+](C)CC3)c(C)n2n1 ZINC000120417242 442067511 /nfs/dbraw/zinc/06/75/11/442067511.db2.gz FDQKNFHIIAICTN-OAHLLOKOSA-N 2 0 330.480 1.634 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175754191 442116492 /nfs/dbraw/zinc/11/64/92/442116492.db2.gz BHVZKLFYZUBLEX-QGZVFWFLSA-N 2 0 339.528 1.186 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000152179012 442177653 /nfs/dbraw/zinc/17/76/53/442177653.db2.gz KFRBODTVLKVFDF-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc([S@](C)=O)cc2)CC1 ZINC000121150625 442183360 /nfs/dbraw/zinc/18/33/60/442183360.db2.gz XVNUVTQAJURNJW-IQMFZBJNSA-N 2 0 338.517 1.949 20 0 EDADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205643 442191544 /nfs/dbraw/zinc/19/15/44/442191544.db2.gz PIVWETUNDPEODI-GDBMZVCRSA-N 2 0 331.526 1.558 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1ccc(OC)cc1 ZINC000169086539 442225850 /nfs/dbraw/zinc/22/58/50/442225850.db2.gz VJCXXNXQBIBVNL-APWZRJJASA-N 2 0 349.475 1.430 20 0 EDADRP Cn1cnc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccc21 ZINC000128823734 442289949 /nfs/dbraw/zinc/28/99/49/442289949.db2.gz MDQSTQZKBOWUME-UHFFFAOYSA-N 2 0 345.491 1.919 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000171200552 442326772 /nfs/dbraw/zinc/32/67/72/442326772.db2.gz BBOLIOVMJVNZME-NVXWUHKLSA-N 2 0 328.501 1.374 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(-n2ccnc2)nc1 ZINC000129782939 442331469 /nfs/dbraw/zinc/33/14/69/442331469.db2.gz ZGPBPBDORSIAOV-UHFFFAOYSA-N 2 0 328.464 1.337 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCOCC2)[C@H](C)C1 ZINC000155318562 442387069 /nfs/dbraw/zinc/38/70/69/442387069.db2.gz ZPTXYWQWLKSABF-MSOLQXFVSA-N 2 0 341.540 1.824 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000177844177 442390748 /nfs/dbraw/zinc/39/07/48/442390748.db2.gz WMOGDHVGYXTXCN-IAGOWNOFSA-N 2 0 340.512 1.326 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CCN1CCOC ZINC000130984061 442361250 /nfs/dbraw/zinc/36/12/50/442361250.db2.gz MLBKGIJVEBYVKI-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000133218843 442408866 /nfs/dbraw/zinc/40/88/66/442408866.db2.gz SQJLKLDTRLVTLY-ROUUACIJSA-N 2 0 331.460 1.345 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[NH+](C)C)c1cccc(OC)c1 ZINC000133374151 442415033 /nfs/dbraw/zinc/41/50/33/442415033.db2.gz JGGLYYXWFPSNEK-KRWDZBQOSA-N 2 0 336.480 1.939 20 0 EDADRP CN1CCc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc21 ZINC000133414565 442416808 /nfs/dbraw/zinc/41/68/08/442416808.db2.gz BJRORHVFAAIZHQ-UHFFFAOYSA-N 2 0 333.480 1.636 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]([NH3+])c3ccccc3)ccn2)CC1 ZINC000178873307 442510276 /nfs/dbraw/zinc/51/02/76/442510276.db2.gz VQRBITJOIQRZFS-GOSISDBHSA-N 2 0 339.443 1.150 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000186093219 442461163 /nfs/dbraw/zinc/46/11/63/442461163.db2.gz KWZVGXDTINRAMI-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@](C)(C(N)=O)c2ccccc2)CC1 ZINC000191584906 442471499 /nfs/dbraw/zinc/47/14/99/442471499.db2.gz UFUYXLKYFHFSQE-IBGZPJMESA-N 2 0 332.492 1.393 20 0 EDADRP COCCN(CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000179562510 442475128 /nfs/dbraw/zinc/47/51/28/442475128.db2.gz JUJQICRCPRVZNL-LSDHHAIUSA-N 2 0 329.485 1.942 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC2CC[NH2+]CC2)cc1 ZINC000178975537 442542685 /nfs/dbraw/zinc/54/26/85/442542685.db2.gz WEFLDBANKAFAKK-UHFFFAOYSA-N 2 0 325.478 1.205 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3cccc(C)c3)CC2)C1 ZINC000179007081 442549906 /nfs/dbraw/zinc/54/99/06/442549906.db2.gz QNHJWKVUXXFLIW-GOSISDBHSA-N 2 0 344.503 1.575 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157605978 442597430 /nfs/dbraw/zinc/59/74/30/442597430.db2.gz ICFIBPXDJGFFJJ-CALCHBBNSA-N 2 0 325.497 1.018 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000186976360 442637828 /nfs/dbraw/zinc/63/78/28/442637828.db2.gz GZXKVSJINFPHOB-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)CC1 ZINC000187140794 442655483 /nfs/dbraw/zinc/65/54/83/442655483.db2.gz PCHHGFLZABPPKK-HNNXBMFYSA-N 2 0 340.512 1.346 20 0 EDADRP COCCCOC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192745556 442682355 /nfs/dbraw/zinc/68/23/55/442682355.db2.gz ZTIUUZWMPHWDDP-UHFFFAOYSA-N 2 0 341.540 1.920 20 0 EDADRP CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000192745387 442682521 /nfs/dbraw/zinc/68/25/21/442682521.db2.gz ZEMVBVZMDGLWNC-CQSZACIVSA-N 2 0 327.494 1.977 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000246333556 442773350 /nfs/dbraw/zinc/77/33/50/442773350.db2.gz IILOWIOBYQOJGV-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000265577306 442830526 /nfs/dbraw/zinc/83/05/26/442830526.db2.gz XRCXXPXNCFIASI-QGZVFWFLSA-N 2 0 330.476 1.116 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000265624855 442851040 /nfs/dbraw/zinc/85/10/40/442851040.db2.gz IEGWOQVXHJDAJZ-MQDFFIGUSA-N 2 0 344.459 1.440 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC000248599551 442904475 /nfs/dbraw/zinc/90/44/75/442904475.db2.gz IVEQLNBKCQMTPS-NXOAAHMSSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)CO[C@@H]1CCN(C[C@@H](O)C[N@@H+]2CC[C@H](OCC(C)C)C2)C1 ZINC000248733390 442921933 /nfs/dbraw/zinc/92/19/33/442921933.db2.gz LUHCPZHMSAXDLY-LDLYASANSA-N 2 0 342.524 1.841 20 0 EDADRP COC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265853656 442945602 /nfs/dbraw/zinc/94/56/02/442945602.db2.gz YXYWUFQGJUPSRT-QXAKKESOSA-N 2 0 345.487 1.734 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000249052312 442947823 /nfs/dbraw/zinc/94/78/23/442947823.db2.gz BLLQQYKJQCTATL-FSZRXZPDSA-N 2 0 325.497 1.756 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000189449081 442957056 /nfs/dbraw/zinc/95/70/56/442957056.db2.gz GWRCKAXPFJIQCR-UHFFFAOYSA-N 2 0 348.491 1.923 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000249555547 442986903 /nfs/dbraw/zinc/98/69/03/442986903.db2.gz JOWSPPHAIOZTFB-JFIYKMOQSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000195130063 442987812 /nfs/dbraw/zinc/98/78/12/442987812.db2.gz ZPZPYIIYPOKYFL-MAUKXSAKSA-N 2 0 330.476 1.827 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+][C@@H](CO)c1ccccc1)c1ccccc1 ZINC000184618888 443049739 /nfs/dbraw/zinc/04/97/39/443049739.db2.gz GIUWDSRIVGEPNR-OALUTQOASA-N 2 0 341.455 1.729 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCC[N@H+](C)C1 ZINC000184586063 443045100 /nfs/dbraw/zinc/04/51/00/443045100.db2.gz XXCKRXLFPDJCHJ-MJGOQNOKSA-N 2 0 346.519 1.679 20 0 EDADRP OCc1ccc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)o1 ZINC000266189751 443050794 /nfs/dbraw/zinc/05/07/94/443050794.db2.gz XZVLSYPXFLCKDJ-QFBILLFUSA-N 2 0 330.428 1.745 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)Cc2ccccc2)CC1 ZINC000266197966 443053258 /nfs/dbraw/zinc/05/32/58/443053258.db2.gz YIDYSQIOIRAEHL-UHFFFAOYSA-N 2 0 346.519 1.604 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000266477616 443139719 /nfs/dbraw/zinc/13/97/19/443139719.db2.gz CYXHSBCJUJZBOP-RTBURBONSA-N 2 0 345.487 1.642 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185138437 443145578 /nfs/dbraw/zinc/14/55/78/443145578.db2.gz SRYZBYVITYVNQL-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268809998 443115722 /nfs/dbraw/zinc/11/57/22/443115722.db2.gz DNAVHZCCVMIKFD-FUHWJXTLSA-N 2 0 335.492 1.734 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237349667 443169714 /nfs/dbraw/zinc/16/97/14/443169714.db2.gz RKKNPQILNZPZJB-UONOGXRCSA-N 2 0 336.455 1.610 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)C[NH2+]C3CC3)CC[N@@H+]2C2CC2)c1 ZINC000237544255 443175395 /nfs/dbraw/zinc/17/53/95/443175395.db2.gz HEQCLMLQLKARBD-PKOBYXMFSA-N 2 0 329.444 1.841 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000237883690 443185858 /nfs/dbraw/zinc/18/58/58/443185858.db2.gz SRPIKXIWCMHHHI-QZTJIDSGSA-N 2 0 337.508 1.855 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000262228542 443186544 /nfs/dbraw/zinc/18/65/44/443186544.db2.gz NOVLZYIAZHZVKG-SJORKVTESA-N 2 0 333.501 1.817 20 0 EDADRP COCC1(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000262382388 443192156 /nfs/dbraw/zinc/19/21/56/443192156.db2.gz NZRYTMWQYAISIY-WMZOPIPTSA-N 2 0 345.487 1.782 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)C[NH2+]C2CC2)CC1 ZINC000236954628 443153114 /nfs/dbraw/zinc/15/31/14/443153114.db2.gz CTLKZFQRFJSRGG-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000185209533 443160909 /nfs/dbraw/zinc/16/09/09/443160909.db2.gz GUSBFODPVBEVNV-KRWDZBQOSA-N 2 0 332.492 1.895 20 0 EDADRP CC(C)CNC(=O)NC(=O)CN[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674621 443236540 /nfs/dbraw/zinc/23/65/40/443236540.db2.gz TWBSYFOQRICCCH-CABCVRRESA-N 2 0 338.496 1.711 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC[NH+](C2CC2)CC1 ZINC000332998614 318976192 /nfs/dbraw/zinc/97/61/92/318976192.db2.gz IIXTYOAGKUYCNM-RBUKOAKNSA-N 2 0 349.519 1.745 20 0 EDADRP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000269126034 443205538 /nfs/dbraw/zinc/20/55/38/443205538.db2.gz KKAARFIXGHPOKR-SFHVURJKSA-N 3 0 347.507 1.296 20 0 EDADRP C[N@@H+]1CC[C@@H](c2nc(-c3ccccc3N3CC[NH+](C)CC3)no2)C1 ZINC000350090048 319041503 /nfs/dbraw/zinc/04/15/03/319041503.db2.gz ZJGZZJHUWBVGCC-CQSZACIVSA-N 2 0 327.432 1.908 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCc1ccccc1C[NH+]1CCCC1 ZINC000269247959 443249253 /nfs/dbraw/zinc/24/92/53/443249253.db2.gz VYVBNPCAXNYHFA-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[N@@H+]1C ZINC000397449410 319134937 /nfs/dbraw/zinc/13/49/37/319134937.db2.gz QIEDJCUCDXWXMB-KFWWJZLASA-N 2 0 327.469 1.695 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@H]3CCCCNC3=O)CC2)C[C@H](C)O1 ZINC000245864379 443252120 /nfs/dbraw/zinc/25/21/20/443252120.db2.gz LFYJTTGMTVNMEH-JZXOWHBKSA-N 2 0 337.508 1.866 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000266825150 443258241 /nfs/dbraw/zinc/25/82/41/443258241.db2.gz ITIQYXJCOMZDEV-INIZCTEOSA-N 2 0 333.476 1.734 20 0 EDADRP COc1cccc(C[C@H](C)[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414992633 319344211 /nfs/dbraw/zinc/34/42/11/319344211.db2.gz TYOGAFLVJXJXHQ-GXTWGEPZSA-N 2 0 346.397 1.447 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000415087654 319347039 /nfs/dbraw/zinc/34/70/39/319347039.db2.gz TZDCSKZHIQFQFP-SNVBAGLBSA-N 2 0 346.294 1.798 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415254589 319357226 /nfs/dbraw/zinc/35/72/26/319357226.db2.gz KYWMYQBXNFEJBY-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP C[N@H+](Cc1ccccc1NC(=O)C(=O)NCC[NH3+])C1CCCCC1 ZINC000415268141 319358566 /nfs/dbraw/zinc/35/85/66/319358566.db2.gz JXVHBNSPZYSYKJ-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@@H](C)C(C)C)C2 ZINC000415735919 319367793 /nfs/dbraw/zinc/36/77/93/319367793.db2.gz ZVPZNSJRCCQHIX-KGLIPLIRSA-N 2 0 346.475 1.709 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415736686 319368016 /nfs/dbraw/zinc/36/80/16/319368016.db2.gz FRLGEDBLGVASDK-HFBAOOFYSA-N 2 0 330.432 1.122 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@@H]2C)c1 ZINC000415747167 319369499 /nfs/dbraw/zinc/36/94/99/319369499.db2.gz PLYIBUWYEVNILN-BBRMVZONSA-N 2 0 332.448 1.415 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1CCOC ZINC000415970744 319386041 /nfs/dbraw/zinc/38/60/41/319386041.db2.gz IIOPHBVJMAXBDO-KRWDZBQOSA-N 2 0 334.464 1.981 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@]1(C)CC[NH2+]C1 ZINC000269306661 443276009 /nfs/dbraw/zinc/27/60/09/443276009.db2.gz UGAQMEXAQCYALG-LJQANCHMSA-N 2 0 346.475 1.775 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[NH2+]C[C@H]2CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000269274989 443262516 /nfs/dbraw/zinc/26/25/16/443262516.db2.gz WATHQLFIWIUXBO-NZSAHSFTSA-N 2 0 345.487 1.924 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCCC[C@H]1S(C)(=O)=O)N1CCN(C)CC1 ZINC000246017282 443262981 /nfs/dbraw/zinc/26/29/81/443262981.db2.gz JGMCHKXFSZEOIT-IXDOHACOSA-N 2 0 345.553 1.204 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000267015490 443314007 /nfs/dbraw/zinc/31/40/07/443314007.db2.gz FKGVVVIJXKZLCS-UHFFFAOYSA-N 2 0 344.419 1.054 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000416933549 319478037 /nfs/dbraw/zinc/47/80/37/319478037.db2.gz RDFVMYIZAHNQTI-UHFFFAOYSA-N 2 0 330.476 1.826 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000419018298 319542662 /nfs/dbraw/zinc/54/26/62/319542662.db2.gz PGLNUXZNZZYHGB-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CC[C@@](C)(C[NH3+])C1)CC(C)C ZINC000419121386 319557798 /nfs/dbraw/zinc/55/77/98/319557798.db2.gz DMVLQEFMYZTCAJ-QAPCUYQASA-N 2 0 340.512 1.056 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000419125809 319558878 /nfs/dbraw/zinc/55/88/78/319558878.db2.gz USLJKCBIINSMOW-LSDHHAIUSA-N 2 0 326.485 1.001 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000267319059 443416562 /nfs/dbraw/zinc/41/65/62/443416562.db2.gz NFRLSFDSNKFTTM-AWEZNQCLSA-N 2 0 334.464 1.452 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420388115 319614881 /nfs/dbraw/zinc/61/48/81/319614881.db2.gz WQQHGGPTYZGFBG-BHYGNILZSA-N 2 0 325.497 1.900 20 0 EDADRP CCNC(=O)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267372821 443434939 /nfs/dbraw/zinc/43/49/39/443434939.db2.gz KPUPXQIPZLEXHO-UHFFFAOYSA-N 2 0 348.491 1.275 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278992341 443483758 /nfs/dbraw/zinc/48/37/58/443483758.db2.gz LEVFSOHPJSNQEM-HOTGVXAUSA-N 2 0 341.459 1.389 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422741237 319736787 /nfs/dbraw/zinc/73/67/87/319736787.db2.gz CYBANDKJFLYUGV-LSDHHAIUSA-N 2 0 327.494 1.465 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422950940 319740969 /nfs/dbraw/zinc/74/09/69/319740969.db2.gz XFGTXSFBCLAKAI-BJJXKVORSA-N 2 0 325.478 1.715 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+]1C ZINC000264981749 443499135 /nfs/dbraw/zinc/49/91/35/443499135.db2.gz LNWKNWBKZGTZJA-MSOLQXFVSA-N 2 0 330.476 1.989 20 0 EDADRP C[C@@H](NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C(C)(C)C[NH+](C)C ZINC000423444527 319776115 /nfs/dbraw/zinc/77/61/15/319776115.db2.gz RFOFXKLKLLKNRV-ZIAGYGMSSA-N 2 0 335.496 1.593 20 0 EDADRP COCC1(C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC[NH2+]CC1 ZINC000423720134 319806624 /nfs/dbraw/zinc/80/66/24/319806624.db2.gz AAINDXFRMZUQBS-ZACQAIPSSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([C@H](C)[NH3+])C3)CC2)c1 ZINC000272297903 443584168 /nfs/dbraw/zinc/58/41/68/443584168.db2.gz QGDUGGRJDDHCSH-ROUUACIJSA-N 2 0 344.503 1.703 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C3CCC(O)CC3)c2)C1 ZINC000286025846 443628390 /nfs/dbraw/zinc/62/83/90/443628390.db2.gz JYPOQLARLLYJKL-VIQWUECVSA-N 2 0 345.487 1.777 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433374354 319978447 /nfs/dbraw/zinc/97/84/47/319978447.db2.gz FOEDXVMDECVPTG-OAHLLOKOSA-N 2 0 342.447 1.825 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000438995194 320037743 /nfs/dbraw/zinc/03/77/43/320037743.db2.gz NFIUPKHTCPTHLF-HUUCEWRRSA-N 2 0 348.491 1.940 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000444355362 320126772 /nfs/dbraw/zinc/12/67/72/320126772.db2.gz YVKGZIXNXRHMGG-LPHOPBHVSA-N 2 0 347.503 1.463 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442908 320142201 /nfs/dbraw/zinc/14/22/01/320142201.db2.gz SUHSFLPLCBFQHX-ZWKOTPCHSA-N 2 0 347.503 1.939 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C(F)F ZINC000449623046 320195378 /nfs/dbraw/zinc/19/53/78/320195378.db2.gz KYOLLRKDFLXXIA-GJZGRUSLSA-N 2 0 325.403 1.997 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[NH2+]C3(C)C)CC2)c1 ZINC000449750407 320205119 /nfs/dbraw/zinc/20/51/19/320205119.db2.gz IYXJHVQKABPIAX-SFHVURJKSA-N 2 0 344.503 1.764 20 0 EDADRP CO[C@@H]1C[C@@H]([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C12CCC2 ZINC000459738430 320349382 /nfs/dbraw/zinc/34/93/82/320349382.db2.gz AHKXMHGXKVMCMU-KZNAEPCWSA-N 2 0 345.487 1.953 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCOCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000471647401 320353077 /nfs/dbraw/zinc/35/30/77/320353077.db2.gz GVUFNHKQCSCHTM-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP [NH3+]CC[C@H]1CCCCN1C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000286266392 443679729 /nfs/dbraw/zinc/67/97/29/443679729.db2.gz VVGWLILAOZAUSD-MSOLQXFVSA-N 2 0 331.460 1.617 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000290972869 443723782 /nfs/dbraw/zinc/72/37/82/443723782.db2.gz XQPGNFPNZOPFKP-UHFFFAOYSA-N 2 0 328.464 1.606 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000288151791 443787124 /nfs/dbraw/zinc/78/71/24/443787124.db2.gz ZHAHMRGGLSRPEX-RDJZCZTQSA-N 2 0 333.480 1.495 20 0 EDADRP OC[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000280853048 443759551 /nfs/dbraw/zinc/75/95/51/443759551.db2.gz MTKOOVAOMCMXNT-RBUKOAKNSA-N 2 0 332.488 1.928 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000280922800 443774949 /nfs/dbraw/zinc/77/49/49/443774949.db2.gz PSSATIVIMAIZLP-HNNXBMFYSA-N 2 0 331.439 1.737 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000529288876 320572030 /nfs/dbraw/zinc/57/20/30/320572030.db2.gz NPCCZDUOOJXHNN-OAGGEKHMSA-N 2 0 326.485 1.125 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@@H]1C ZINC000530317748 320620455 /nfs/dbraw/zinc/62/04/55/320620455.db2.gz OVCTYNDZSSQESV-IKGGRYGDSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(OCC(F)F)nc1 ZINC000536468224 320725561 /nfs/dbraw/zinc/72/55/61/320725561.db2.gz ROLRPSMDUUENKJ-UHFFFAOYSA-N 2 0 344.406 1.291 20 0 EDADRP CN(C[C@@H]1OCCN(C)[C@H]1c1ccccc1)C(=O)Cn1ccnc1 ZINC000285237848 443907484 /nfs/dbraw/zinc/90/74/84/443907484.db2.gz GGAYJOKXEWLQLL-WMZOPIPTSA-N 2 0 328.416 1.413 20 0 EDADRP Cc1nccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000623110955 450409425 /nfs/dbraw/zinc/40/94/25/450409425.db2.gz YOILPKRAWWRUTC-UHFFFAOYSA-N 2 0 340.431 1.122 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000299257934 443998632 /nfs/dbraw/zinc/99/86/32/443998632.db2.gz SPOYLYBVNLPQKS-SFHVURJKSA-N 2 0 346.475 1.777 20 0 EDADRP CNC(=O)NC(=O)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000299297842 444009929 /nfs/dbraw/zinc/00/99/29/444009929.db2.gz MRVPQAZCXUNQRO-GJZGRUSLSA-N 2 0 346.475 1.578 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000299494546 444061812 /nfs/dbraw/zinc/06/18/12/444061812.db2.gz GSYCZWFNTXPNGE-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000557261521 321001601 /nfs/dbraw/zinc/00/16/01/321001601.db2.gz MFZPYFZQYBABTF-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CN(C[C@@H](O)C[NH2+]C[C@H]1CC(=O)N(Cc2ccccc2)C1)C1CC1 ZINC000562991231 321085690 /nfs/dbraw/zinc/08/56/90/321085690.db2.gz MFQSUVDYLUHXAS-AEFFLSMTSA-N 2 0 331.460 1.080 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000563208847 321100376 /nfs/dbraw/zinc/10/03/76/321100376.db2.gz BEDMTZJWVHXRCO-MJGOQNOKSA-N 2 0 344.503 1.681 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564857347 321151945 /nfs/dbraw/zinc/15/19/45/321151945.db2.gz KCDYGBZXUAUAGU-GJZGRUSLSA-N 2 0 336.432 1.477 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2C[NH2+]CCN2C)cc1 ZINC000565039583 321165397 /nfs/dbraw/zinc/16/53/97/321165397.db2.gz CMSDVBYNZYIGBR-QGZVFWFLSA-N 2 0 348.491 1.041 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000565312876 321181491 /nfs/dbraw/zinc/18/14/91/321181491.db2.gz YAKJHHVIUFUGRH-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000565670269 321196916 /nfs/dbraw/zinc/19/69/16/321196916.db2.gz INVUMXLCKWISIH-AWEZNQCLSA-N 2 0 342.447 1.864 20 0 EDADRP Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@@H](O)C[N@@H+](C)C3CC3)C2)nc1 ZINC000289299516 444100721 /nfs/dbraw/zinc/10/07/21/444100721.db2.gz CKPWFWAOEOIICH-WBVHZDCISA-N 2 0 346.475 1.496 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921507 321331844 /nfs/dbraw/zinc/33/18/44/321331844.db2.gz VSDGGEVRPRPDGQ-GDBMZVCRSA-N 2 0 329.444 1.982 20 0 EDADRP CN(C[C@H](O)C[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093015 321337393 /nfs/dbraw/zinc/33/73/93/321337393.db2.gz DNPVQRNJMOXWQH-GXTWGEPZSA-N 2 0 344.858 1.675 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)[C@@H](C)C[N@@H+]1CCO ZINC000570943743 321365791 /nfs/dbraw/zinc/36/57/91/321365791.db2.gz SISDXXAJBDFXQN-HLLBOEOZSA-N 2 0 338.496 1.100 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000573249110 321446330 /nfs/dbraw/zinc/44/63/30/321446330.db2.gz UYVPLDKKGGEYPV-AEFFLSMTSA-N 2 0 345.422 1.735 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000282325615 444149091 /nfs/dbraw/zinc/14/90/91/444149091.db2.gz NUOSMLGSOIKGQR-UHFFFAOYSA-N 2 0 331.508 1.666 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@@H]2CO)ncn1 ZINC000301444122 444172273 /nfs/dbraw/zinc/17/22/73/444172273.db2.gz JLMOKEOFVDJVIE-JKSUJKDBSA-N 2 0 333.480 1.748 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)[nH+]1 ZINC000301973298 444199179 /nfs/dbraw/zinc/19/91/79/444199179.db2.gz JNEUOUTYLBFIRJ-MELADBBJSA-N 2 0 325.420 1.165 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000304060949 444241270 /nfs/dbraw/zinc/24/12/70/444241270.db2.gz PAJCOQCYKILBNJ-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP COCCOC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000311224356 444292830 /nfs/dbraw/zinc/29/28/30/444292830.db2.gz PDCDHPVRMMFOSM-VAMGGRTRSA-N 2 0 348.487 1.464 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000578130085 321726727 /nfs/dbraw/zinc/72/67/27/321726727.db2.gz QAQBCJDMCBASAU-ALOPSCKCSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683781 444351030 /nfs/dbraw/zinc/35/10/30/444351030.db2.gz OPUQCCINAIGETH-IRXDYDNUSA-N 2 0 340.512 1.374 20 0 EDADRP c1csc(-c2noc(CCC[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)n2)c1 ZINC000326438954 444374604 /nfs/dbraw/zinc/37/46/04/444374604.db2.gz UHJNXASPNKCJNS-AWEZNQCLSA-N 2 0 347.488 1.710 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[NH+](CC)CC ZINC000337723311 444374663 /nfs/dbraw/zinc/37/46/63/444374663.db2.gz QYSLPJLWTOEBQF-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000578623977 321804764 /nfs/dbraw/zinc/80/47/64/321804764.db2.gz JVJFAETZNWKTAW-ZWKOTPCHSA-N 2 0 330.476 1.916 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000578745153 321823648 /nfs/dbraw/zinc/82/36/48/321823648.db2.gz HOKZPOURXNQSPX-SJORKVTESA-N 2 0 325.497 1.493 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(F)c1 ZINC000327861762 444384379 /nfs/dbraw/zinc/38/43/79/444384379.db2.gz OSMDWUADFXAFIP-RDTXWAMCSA-N 2 0 349.450 1.915 20 0 EDADRP COC[C@H]1CCN(C(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC000337832556 444428687 /nfs/dbraw/zinc/42/86/87/444428687.db2.gz SSKBROFSOFZCDK-HNNXBMFYSA-N 2 0 326.485 1.033 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000580436368 322051268 /nfs/dbraw/zinc/05/12/68/322051268.db2.gz UMJFLOUUXMRGMR-ZQIUZPCESA-N 2 0 329.448 1.043 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](Cc2ccccc2)C[C@@H]1C ZINC000580462067 322055206 /nfs/dbraw/zinc/05/52/06/322055206.db2.gz PGHIKXLKRIBHNU-BJLQDIEVSA-N 2 0 349.519 1.520 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000580832253 322101256 /nfs/dbraw/zinc/10/12/56/322101256.db2.gz USNFMBPOHSMZHV-KYHPRHEASA-N 2 0 328.460 1.642 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000580881054 322106927 /nfs/dbraw/zinc/10/69/27/322106927.db2.gz DGMBXRDPGXGVHF-MRXNPFEDSA-N 2 0 348.447 1.401 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000580946169 322115310 /nfs/dbraw/zinc/11/53/10/322115310.db2.gz FGVZQSKVLAHXNK-MNEFBYGVSA-N 2 0 344.503 1.472 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000581061033 322130040 /nfs/dbraw/zinc/13/00/40/322130040.db2.gz BHKQJYGXPHHIKG-GOSISDBHSA-N 3 0 347.507 1.313 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000581142882 322141767 /nfs/dbraw/zinc/14/17/67/322141767.db2.gz IPGWOLPQRAKZCT-NZSAHSFTSA-N 2 0 344.503 1.943 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000581770951 322218378 /nfs/dbraw/zinc/21/83/78/322218378.db2.gz PYAYNDSVLHUKDW-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000332372923 444512134 /nfs/dbraw/zinc/51/21/34/444512134.db2.gz SRCTYHIIVBUCGK-VYDXJSESSA-N 2 0 326.485 1.256 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342131470 444525135 /nfs/dbraw/zinc/52/51/35/444525135.db2.gz HXNVGYTZCDGGEG-PBWTXFEYSA-N 2 0 345.487 1.938 20 0 EDADRP C[C@@H](C[NH2+][C@H](Cc1ccccn1)c1cccnc1)N1CC[NH+](C)CC1 ZINC000338224273 444572854 /nfs/dbraw/zinc/57/28/54/444572854.db2.gz ZTXQBUBRTOBDEB-FXAWDEMLSA-N 2 0 339.487 1.986 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333014338 444629376 /nfs/dbraw/zinc/62/93/76/444629376.db2.gz WBDUFPHXDWJXRE-CIRFHOKZSA-N 2 0 337.508 1.743 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@H]1C ZINC000340941639 444587980 /nfs/dbraw/zinc/58/79/80/444587980.db2.gz UHUBHHHHNYABMY-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333248917 444650862 /nfs/dbraw/zinc/65/08/62/444650862.db2.gz GIKBYCXRDTVWCJ-MGMWPHTOSA-N 2 0 334.508 1.876 20 0 EDADRP Cc1cnc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)nc1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000333301731 444655779 /nfs/dbraw/zinc/65/57/79/444655779.db2.gz HSGFVQGBWGRXIC-YLFCFFPRSA-N 3 0 346.523 2.574 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343905724 444660199 /nfs/dbraw/zinc/66/01/99/444660199.db2.gz KLKPSTIBLUHATD-MRXNPFEDSA-N 2 0 340.512 1.166 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H]1C ZINC000343916187 444666345 /nfs/dbraw/zinc/66/63/45/444666345.db2.gz KWOYGUKINVHPSE-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CCSC1 ZINC000341092399 444668977 /nfs/dbraw/zinc/66/89/77/444668977.db2.gz UIZBOTNXDPKGDN-OAHLLOKOSA-N 2 0 349.504 1.398 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2ccnc(OCC[NH+](C)C)c2)CCC[N@@H+]1C ZINC000343919997 444669463 /nfs/dbraw/zinc/66/94/63/444669463.db2.gz CNAYQRTWXOIIJD-GOEBONIOSA-N 2 0 349.479 1.304 20 0 EDADRP C[C@]1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC[NH2+]C1 ZINC000333833937 444702278 /nfs/dbraw/zinc/70/22/78/444702278.db2.gz MZXFWDNVSWEWAS-AEFFLSMTSA-N 2 0 338.496 1.130 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@H]2CC[NH+](CCOC)C2)C1 ZINC000341159687 444702995 /nfs/dbraw/zinc/70/29/95/444702995.db2.gz JGKPGDAGVDJCTP-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP Cc1nc2ccccc2n1CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000333927585 444721103 /nfs/dbraw/zinc/72/11/03/444721103.db2.gz WOBSELNVCIVJTD-LSDHHAIUSA-N 2 0 327.432 1.596 20 0 EDADRP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344013592 444728086 /nfs/dbraw/zinc/72/80/86/444728086.db2.gz CMDSDEGUOZSSOU-KSZLIROESA-N 2 0 340.556 1.980 20 0 EDADRP COCC1(CNC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC[NH2+]CC1 ZINC000333680607 444689503 /nfs/dbraw/zinc/68/95/03/444689503.db2.gz ORCWVMOJTIIRNU-GOSISDBHSA-N 2 0 338.496 1.130 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cnccn2)CC1 ZINC000341268826 444754705 /nfs/dbraw/zinc/75/47/05/444754705.db2.gz KWWMLZSSRUTPII-UHFFFAOYSA-N 2 0 325.460 1.951 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000341381117 444803622 /nfs/dbraw/zinc/80/36/22/444803622.db2.gz BZGSNCAEKGASBF-CQSZACIVSA-N 2 0 348.516 1.716 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@H]([NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000341469117 444847566 /nfs/dbraw/zinc/84/75/66/444847566.db2.gz XBKQIMGGCQQMSK-XWTMOSNGSA-N 2 0 325.497 1.017 20 0 EDADRP [NH3+]CC1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCOCC1 ZINC000344443422 444975427 /nfs/dbraw/zinc/97/54/27/444975427.db2.gz CDNGZHQNSDDHRR-UHFFFAOYSA-N 2 0 331.460 1.307 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344515199 445026966 /nfs/dbraw/zinc/02/69/66/445026966.db2.gz NGLWWNHBRKCVBD-IRXDYDNUSA-N 2 0 342.528 1.355 20 0 EDADRP C[N@H+](CCC[NH+]1CCCC1)CCC(=O)NC(=O)NCC(F)(F)F ZINC000337226926 444994583 /nfs/dbraw/zinc/99/45/83/444994583.db2.gz PTZUUZWAORDKDJ-UHFFFAOYSA-N 2 0 338.374 1.182 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092611 445057554 /nfs/dbraw/zinc/05/75/54/445057554.db2.gz CXFXADJJPBOIJA-QZTJIDSGSA-N 2 0 336.524 1.249 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000341903213 445062722 /nfs/dbraw/zinc/06/27/22/445062722.db2.gz TYAUUCCWBZDWBK-RBSFLKMASA-N 2 0 336.480 1.559 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCSC1 ZINC000343199964 445130766 /nfs/dbraw/zinc/13/07/66/445130766.db2.gz LCKZSDXCHRPQIT-QGZVFWFLSA-N 2 0 348.516 1.600 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(CCCN3CC[NH+](C(C)C)CC3)[C@@H]2C1 ZINC000339395949 445135805 /nfs/dbraw/zinc/13/58/05/445135805.db2.gz VCDNPOAWJBULHT-MOPGFXCFSA-N 2 0 338.540 1.198 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC1CCCC1 ZINC000337568221 445141832 /nfs/dbraw/zinc/14/18/32/445141832.db2.gz BBWFLXJSQHYYHY-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343378875 445212728 /nfs/dbraw/zinc/21/27/28/445212728.db2.gz JWKOLBPOPYGFNS-NUJGCVRESA-N 2 0 335.496 1.113 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000343400943 445216201 /nfs/dbraw/zinc/21/62/01/445216201.db2.gz KXOWNLCANFCAGA-QYZOEREBSA-N 2 0 348.535 1.489 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H]1COCCO1)C1CC[NH+](C)CC1 ZINC000343447787 445224716 /nfs/dbraw/zinc/22/47/16/445224716.db2.gz KLSZTKBOYZRMQA-GOSISDBHSA-N 2 0 333.476 1.722 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)C1 ZINC000347542815 445242118 /nfs/dbraw/zinc/24/21/18/445242118.db2.gz MOXHEDWQMCYZBH-RRFJBIMHSA-N 2 0 328.501 1.323 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CCCO1 ZINC000343551614 445242656 /nfs/dbraw/zinc/24/26/56/445242656.db2.gz KDTDVUNZNNWUEL-RYRKJORJSA-N 2 0 336.480 1.588 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856232 445251227 /nfs/dbraw/zinc/25/12/27/445251227.db2.gz WDYKZYKVFQCWOC-QAPCUYQASA-N 2 0 325.460 2.485 20 0 EDADRP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347924831 445256287 /nfs/dbraw/zinc/25/62/87/445256287.db2.gz KAAGGGRQDLOTKT-UAGQMJEPSA-N 2 0 335.496 1.650 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348327755 445257493 /nfs/dbraw/zinc/25/74/93/445257493.db2.gz KCKJMJMCZHTJTQ-MTFMMBMASA-N 2 0 348.487 1.463 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NCC1([NH+](C)C)CCC1)C(C)(C)C ZINC000354676778 445336486 /nfs/dbraw/zinc/33/64/86/445336486.db2.gz IHSHCAHLOYGNKP-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000351967088 445405510 /nfs/dbraw/zinc/40/55/10/445405510.db2.gz HYVYKZCAEQXCGE-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N1CCO[C@H]2CCCC[C@@H]21 ZINC000357086911 445419047 /nfs/dbraw/zinc/41/90/47/445419047.db2.gz RRAJJCQWNRABQX-SQNIBIBYSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)CCOC1C[NH2+]C1 ZINC000349002958 445472512 /nfs/dbraw/zinc/47/25/12/445472512.db2.gz PWFLXXIASRKMQW-IGOJGBNBSA-N 2 0 345.487 1.638 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000359903011 445480110 /nfs/dbraw/zinc/48/01/10/445480110.db2.gz RRWXGKXGDYNWRP-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362564103 445441049 /nfs/dbraw/zinc/44/10/49/445441049.db2.gz HKKKJFGTRRJEPQ-OAHLLOKOSA-N 2 0 333.480 1.681 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CCCCC1 ZINC000362563380 445441484 /nfs/dbraw/zinc/44/14/84/445441484.db2.gz YRJWXLDJIGBNKW-YOEHRIQHSA-N 2 0 333.480 1.727 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566022 445443084 /nfs/dbraw/zinc/44/30/84/445443084.db2.gz DVYCIXVZAIXHNT-GJZGRUSLSA-N 2 0 331.464 1.291 20 0 EDADRP C[C@@H](NC(=O)NCCOCC[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000355354180 445456684 /nfs/dbraw/zinc/45/66/84/445456684.db2.gz RNELAPJSQOHSJG-NVXWUHKLSA-N 2 0 336.480 1.555 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000355406568 445458218 /nfs/dbraw/zinc/45/82/18/445458218.db2.gz DQUJVXXFFKZSFQ-KSZLIROESA-N 2 0 336.524 1.488 20 0 EDADRP COC[C@@]1(CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCC[NH2+]1 ZINC000357275492 445520391 /nfs/dbraw/zinc/52/03/91/445520391.db2.gz RWFLRAHQGSSVRZ-IBGZPJMESA-N 2 0 340.427 1.746 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000359996304 445520475 /nfs/dbraw/zinc/52/04/75/445520475.db2.gz WDGBMAXIGXLNQZ-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH2+]CCC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000357240038 445500306 /nfs/dbraw/zinc/50/03/06/445500306.db2.gz LCYWHYYXQLXYOS-UHFFFAOYSA-N 2 0 332.492 1.623 20 0 EDADRP CCC[C@H]([NH2+][C@H]1CCN(CCN2CCOCC2)C1)c1cccnc1 ZINC000359961400 445505780 /nfs/dbraw/zinc/50/57/80/445505780.db2.gz SCRVDYNOSWSJSB-OALUTQOASA-N 2 0 332.492 1.919 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@@H]1C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349301382 445559869 /nfs/dbraw/zinc/55/98/69/445559869.db2.gz USXFTJXRMQYAPG-SJLPKXTDSA-N 2 0 335.496 1.067 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC000362831171 445571506 /nfs/dbraw/zinc/57/15/06/445571506.db2.gz OUODNFOFIGHXGR-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)NCCN1CCOC[C@@H]1C)C(C)C ZINC000355955781 445543619 /nfs/dbraw/zinc/54/36/19/445543619.db2.gz DCYYWSABFUNOPM-INIZCTEOSA-N 2 0 328.501 1.467 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000355957757 445544771 /nfs/dbraw/zinc/54/47/71/445544771.db2.gz LWWWNQBHHARDMA-LJQANCHMSA-N 2 0 348.491 1.264 20 0 EDADRP C[C@H](NC(=O)NC[C@]1(O)CC[N@H+](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000357315510 445545031 /nfs/dbraw/zinc/54/50/31/445545031.db2.gz RXGZJOVOFXVPQI-QILLFSRXSA-N 2 0 334.464 1.044 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000358134388 445606688 /nfs/dbraw/zinc/60/66/88/445606688.db2.gz JBENENXEPDWKJU-PVAVHDDUSA-N 2 0 340.512 1.392 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCCC[N@H+](C)Cc2ccccc2)CC1 ZINC000360183369 445616634 /nfs/dbraw/zinc/61/66/34/445616634.db2.gz KNWGGTAXZGLXNW-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC[NH+]3CCCC3)CC2)c1 ZINC000356098002 445619468 /nfs/dbraw/zinc/61/94/68/445619468.db2.gz PAOAQFFRDQFZQH-UHFFFAOYSA-N 2 0 347.463 1.408 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CC2)CC1 ZINC000356102956 445622825 /nfs/dbraw/zinc/62/28/25/445622825.db2.gz XTGSZSAEWBANAJ-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000358537134 445640743 /nfs/dbraw/zinc/64/07/43/445640743.db2.gz ZHAHMRGGLSRPEX-NVXWUHKLSA-N 2 0 333.480 1.495 20 0 EDADRP CCc1nn(C)cc1C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000356053060 445592520 /nfs/dbraw/zinc/59/25/20/445592520.db2.gz WGPGCIXTCQJESB-OAHLLOKOSA-N 2 0 335.496 1.471 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000353425846 445595721 /nfs/dbraw/zinc/59/57/21/445595721.db2.gz HYVJPMWWWJLNPU-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP COCC[NH+]1CCC(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000360245072 445653211 /nfs/dbraw/zinc/65/32/11/445653211.db2.gz KFKFNXWUDOVNJC-HXUWFJFHSA-N 2 0 347.503 1.324 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000360249291 445655923 /nfs/dbraw/zinc/65/59/23/445655923.db2.gz KPXWKCKTCOIALJ-KRWDZBQOSA-N 2 0 342.553 1.843 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353581030 445665608 /nfs/dbraw/zinc/66/56/08/445665608.db2.gz WEGRBBBXIZLOMQ-DOTOQJQBSA-N 3 0 333.480 1.083 20 0 EDADRP C[N@H+](CCNC(=O)NCCNc1cc[nH+]cc1)Cc1ccccc1 ZINC000356177465 445663014 /nfs/dbraw/zinc/66/30/14/445663014.db2.gz BJVIBISKMFRERR-UHFFFAOYSA-N 2 0 327.432 1.347 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358623250 445681512 /nfs/dbraw/zinc/68/15/12/445681512.db2.gz CINOGGAQKXFRSL-UHFFFAOYSA-N 2 0 338.540 1.642 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCN2CCC[N@H+](C)CC2)[C@H]1C ZINC000358653118 445695304 /nfs/dbraw/zinc/69/53/04/445695304.db2.gz GIXJNRVXGOLARV-ULQDDVLXSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]1CCCN(c2cc(N3CCC([N@H+](C)CCO)CC3)ncn2)C1 ZINC000349870793 445704955 /nfs/dbraw/zinc/70/49/55/445704955.db2.gz WWOBVDKOHKISRN-HNNXBMFYSA-N 2 0 333.480 1.606 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCN1C(=O)NC(C)(C)C1=O ZINC000360958872 445740258 /nfs/dbraw/zinc/74/02/58/445740258.db2.gz RNTZKFVQGISFBH-HUUCEWRRSA-N 2 0 338.496 1.807 20 0 EDADRP [NH3+]C[C@@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccc(F)cc1 ZINC000358741496 445753030 /nfs/dbraw/zinc/75/30/30/445753030.db2.gz GXPGFXGWLZVCFY-MRXNPFEDSA-N 2 0 343.406 1.311 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)nc2)CC1 ZINC000363316655 445764091 /nfs/dbraw/zinc/76/40/91/445764091.db2.gz NTJVYSXWWHFIKG-JKSUJKDBSA-N 2 0 343.475 1.646 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356451115 445796852 /nfs/dbraw/zinc/79/68/52/445796852.db2.gz MGODHDROSQWXKU-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H](C(=O)NCc1ccncc1OCC[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356459289 445801480 /nfs/dbraw/zinc/80/14/80/445801480.db2.gz OARQOGFFROTOLH-OWCLPIDISA-N 2 0 348.491 1.900 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000350283912 445805905 /nfs/dbraw/zinc/80/59/05/445805905.db2.gz ATDLDJNEUFSIHA-NVXWUHKLSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1csc(CC[NH3+])n1)Cc1ccccc1 ZINC000358849181 445808473 /nfs/dbraw/zinc/80/84/73/445808473.db2.gz PXJCIKIGUOMFHC-AWEZNQCLSA-N 2 0 332.473 1.547 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000350670538 445877613 /nfs/dbraw/zinc/87/76/13/445877613.db2.gz RWFSQGGPKJYFMU-QGZVFWFLSA-N 2 0 347.503 1.858 20 0 EDADRP c1ccc2[nH]c(CCCNc3ccnc(N4CCOCC4)n3)nc2c1 ZINC000354075657 445888387 /nfs/dbraw/zinc/88/83/87/445888387.db2.gz NJFRHDSJRVSVBA-UHFFFAOYSA-N 2 0 338.415 2.234 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000356570017 445864003 /nfs/dbraw/zinc/86/40/03/445864003.db2.gz BAKMNZDWTUIUCJ-QGZVFWFLSA-N 2 0 326.529 1.449 20 0 EDADRP Cc1ccnc(NC[C@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C2)c1 ZINC000365986528 445943896 /nfs/dbraw/zinc/94/38/96/445943896.db2.gz YSBKXDLDHACLIL-LSDHHAIUSA-N 2 0 325.478 1.805 20 0 EDADRP Cn1cc([C@H]2[C@H](CNC(=O)CC3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000365971730 445935014 /nfs/dbraw/zinc/93/50/14/445935014.db2.gz JGMYNMDMTZAZIE-QFBILLFUSA-N 2 0 347.507 1.651 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)CC3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000365971722 445935600 /nfs/dbraw/zinc/93/56/00/445935600.db2.gz JGMYNMDMTZAZIE-APWZRJJASA-N 2 0 347.507 1.651 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364641210 445939962 /nfs/dbraw/zinc/93/99/62/445939962.db2.gz LPRBZFPBZYTUBR-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359028392 445897057 /nfs/dbraw/zinc/89/70/57/445897057.db2.gz AXOGKDMEPFGPPS-HZPDHXFCSA-N 2 0 328.501 1.515 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)CC1 ZINC000366116797 446024593 /nfs/dbraw/zinc/02/45/93/446024593.db2.gz ANPBCYHWJUXALL-SFHVURJKSA-N 2 0 336.524 1.204 20 0 EDADRP C[C@H](CN1CCCC1=O)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000582899000 325953270 /nfs/dbraw/zinc/95/32/70/325953270.db2.gz IONWXVCTHMMHDB-SIXWZSSISA-N 2 0 329.444 1.843 20 0 EDADRP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000361888787 446043666 /nfs/dbraw/zinc/04/36/66/446043666.db2.gz RFJRCBLXYAOVRG-MTFMMBMASA-N 2 0 331.504 1.799 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000373076329 446010121 /nfs/dbraw/zinc/01/01/21/446010121.db2.gz MLMYVHAAWPOCPN-GASCZTMLSA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@H](C(=O)NCc1cccc(NC(=O)[C@@H](CC)[NH+](C)C)c1)[NH+](C)C ZINC000359222265 446052149 /nfs/dbraw/zinc/05/21/49/446052149.db2.gz BKQLQJPBGOPMQY-IAGOWNOFSA-N 2 0 348.491 1.922 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000583386372 326063720 /nfs/dbraw/zinc/06/37/20/326063720.db2.gz UDPYTIFCOZLIPD-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1nn(C(C)C)c(C)c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000583395124 326065351 /nfs/dbraw/zinc/06/53/51/326065351.db2.gz ICPHSIHOCUCWTP-UHFFFAOYSA-N 2 0 337.512 1.575 20 0 EDADRP CN1CCN(C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H](C[NH3+])C1 ZINC000583860146 326153855 /nfs/dbraw/zinc/15/38/55/326153855.db2.gz PBKWLEKTQZPUGE-NVXWUHKLSA-N 2 0 331.464 1.342 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1c(F)cncc1F ZINC000583953950 326172581 /nfs/dbraw/zinc/17/25/81/326172581.db2.gz ZXXLOQFYRQKYFF-LBPRGKRZSA-N 2 0 343.422 1.556 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])C2)nn1 ZINC000583993644 326180220 /nfs/dbraw/zinc/18/02/20/326180220.db2.gz PIVVZWVHSXDLFD-BZUAXINKSA-N 2 0 334.468 1.198 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)c2ccn(CC[NH+](C)C)n2)o1 ZINC000584240707 326227807 /nfs/dbraw/zinc/22/78/07/326227807.db2.gz PHTMQEWPLVGQCT-UHFFFAOYSA-N 2 0 347.463 1.550 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000359270960 446108057 /nfs/dbraw/zinc/10/80/57/446108057.db2.gz KZHDJJIPRKVWOY-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000359288669 446123389 /nfs/dbraw/zinc/12/33/89/446123389.db2.gz MPVVOOSLMWWFAB-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000359288485 446123953 /nfs/dbraw/zinc/12/39/53/446123953.db2.gz ZDJOKYKYTAFPOC-ZBFHGGJFSA-N 2 0 327.513 1.872 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000361984975 446128968 /nfs/dbraw/zinc/12/89/68/446128968.db2.gz DTGUAUXASNFUNJ-KDURUIRLSA-N 2 0 337.508 1.426 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)Cc1ccccc1 ZINC000359361153 446173902 /nfs/dbraw/zinc/17/39/02/446173902.db2.gz BNHVWCPMWPEPQM-WMZOPIPTSA-N 2 0 330.476 1.695 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000365323624 446145609 /nfs/dbraw/zinc/14/56/09/446145609.db2.gz ZHSSYUPFSZMUBW-OAHLLOKOSA-N 2 0 330.432 1.127 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000369690810 446148196 /nfs/dbraw/zinc/14/81/96/446148196.db2.gz FFUHWDFZAUABMI-UHFFFAOYSA-N 2 0 348.495 2.144 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000373299650 446151483 /nfs/dbraw/zinc/15/14/83/446151483.db2.gz AFEQUJVFVHBBGS-JKSUJKDBSA-N 2 0 332.448 1.379 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC2)CC1 ZINC000366329157 446156493 /nfs/dbraw/zinc/15/64/93/446156493.db2.gz XFVUCHIMHODJEB-QGZVFWFLSA-N 2 0 338.540 1.672 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000365553428 446251820 /nfs/dbraw/zinc/25/18/20/446251820.db2.gz BFAPVNPEGORWIC-XHSDSOJGSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(C[C@H](C)O)[C@H](C)C1)[NH+]1CCCCC1 ZINC000359500078 446260867 /nfs/dbraw/zinc/26/08/67/446260867.db2.gz ADYDSIKNUMSIFY-IXDOHACOSA-N 2 0 325.497 1.410 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@@H]2C[NH2+]CCC[C@@H]21 ZINC000373559893 446261201 /nfs/dbraw/zinc/26/12/01/446261201.db2.gz HFOIVBMEHBGSFP-INMHGKMJSA-N 2 0 331.464 1.412 20 0 EDADRP COc1cccc(CNC(=O)CN2CCC[C@@H](c3nccn3C)C2)c1 ZINC000365676773 446296991 /nfs/dbraw/zinc/29/69/91/446296991.db2.gz YPDVYFHZQGNEPM-MRXNPFEDSA-N 2 0 342.443 1.925 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365716591 446312840 /nfs/dbraw/zinc/31/28/40/446312840.db2.gz DGRHJFPQJINUFE-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000417337829 446347224 /nfs/dbraw/zinc/34/72/24/446347224.db2.gz JFRHKBZNLMMQFF-ZOBUZTSGSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1c([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000359621559 446324165 /nfs/dbraw/zinc/32/41/65/446324165.db2.gz PXENHAXMEHBVHY-INIZCTEOSA-N 2 0 342.491 1.864 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)n1 ZINC000374170068 446355846 /nfs/dbraw/zinc/35/58/46/446355846.db2.gz AHRSYGBGAJUOAF-INIZCTEOSA-N 2 0 345.491 1.723 20 0 EDADRP C[NH+](C)CCC[NH2+]C1CCN(S(=O)(=O)c2cccs2)CC1 ZINC000370611994 446357422 /nfs/dbraw/zinc/35/74/22/446357422.db2.gz GYHOYIYKCRKNLT-UHFFFAOYSA-N 2 0 331.507 1.443 20 0 EDADRP C[C@H](C[NH2+]C1CCN(c2nccs2)CC1)CN1CC[NH+](C)CC1 ZINC000376164389 446362154 /nfs/dbraw/zinc/36/21/54/446362154.db2.gz FPOFEWYOLCRZQD-OAHLLOKOSA-N 2 0 337.537 1.585 20 0 EDADRP C[NH2+]CCCNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417545667 446363689 /nfs/dbraw/zinc/36/36/89/446363689.db2.gz KEKPAAFFXXDCEU-UHFFFAOYSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417544438 446363920 /nfs/dbraw/zinc/36/39/20/446363920.db2.gz MTXXWVXDYZBBSW-FUHWJXTLSA-N 2 0 347.507 1.402 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc2ccccc2C1 ZINC000417736078 446371478 /nfs/dbraw/zinc/37/14/78/446371478.db2.gz MECQMBDHTBDPDG-AWEZNQCLSA-N 2 0 340.418 1.367 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC([C@@H]3CC[NH2+]C3)CC2)C1 ZINC000417899276 446380549 /nfs/dbraw/zinc/38/05/49/446380549.db2.gz YMKOLTQTWGXDSO-FUHWJXTLSA-N 2 0 336.524 1.995 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)[C@@H](C[NH3+])C1 ZINC000417915260 446384825 /nfs/dbraw/zinc/38/48/25/446384825.db2.gz UEBOTNMUHXIHHB-BRWVUGGUSA-N 2 0 340.512 1.502 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418071783 446431615 /nfs/dbraw/zinc/43/16/15/446431615.db2.gz JHRMYJUNVLAGQV-MSOLQXFVSA-N 2 0 346.475 1.314 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H](C[NH2+]C)C1)CCC(F)(F)F ZINC000418073867 446432762 /nfs/dbraw/zinc/43/27/62/446432762.db2.gz DVHZNMGCGFKWLB-CYBMUJFWSA-N 2 0 338.418 1.902 20 0 EDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1cc(F)cc(Br)c1)C1C[NH2+]C1 ZINC000423168690 446446639 /nfs/dbraw/zinc/44/66/39/446446639.db2.gz HVRWIIRMEJBAQK-ZYHUDNBSSA-N 2 0 345.256 1.937 20 0 EDADRP C[C@](C[NH3+])(NCCN(Cc1ccccc1)S(C)(=O)=O)C1CC1 ZINC000420282967 446449937 /nfs/dbraw/zinc/44/99/37/446449937.db2.gz BMOPROWDGGZXNJ-MRXNPFEDSA-N 2 0 325.478 1.165 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417978967 446406120 /nfs/dbraw/zinc/40/61/20/446406120.db2.gz GXDBXMMJEBDQHW-MRXNPFEDSA-N 2 0 348.491 1.740 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)N[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417985277 446407917 /nfs/dbraw/zinc/40/79/17/446407917.db2.gz HAWHVVNFWDFQTK-ZLIFDBKOSA-N 2 0 332.448 1.619 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000418004069 446412118 /nfs/dbraw/zinc/41/21/18/446412118.db2.gz ZLUYELBBQLQDAN-KRWDZBQOSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@H]1C[C@@H](N2CCOCC2)CN1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000376293298 446417322 /nfs/dbraw/zinc/41/73/22/446417322.db2.gz JXUSRRMVLBLMJD-DLBZAZTESA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000418029879 446419665 /nfs/dbraw/zinc/41/96/65/446419665.db2.gz IVFOSMLTMORRAH-OKZBNKHCSA-N 2 0 348.491 1.023 20 0 EDADRP CC(CC[NH+]1CCN(C2CC2)CC1)CC[NH+]1CCN(C2CC2)CC1 ZINC000411193797 446423937 /nfs/dbraw/zinc/42/39/37/446423937.db2.gz FPFIAPAMNKAGKQ-UHFFFAOYSA-N 2 0 334.552 1.963 20 0 EDADRP C[C@@H]1CN(CC(=O)NCCc2cccc3cccnc32)CC[C@@H]1[NH3+] ZINC000420292680 446455596 /nfs/dbraw/zinc/45/55/96/446455596.db2.gz PVLIXLAGNPVBSO-PBHICJAKSA-N 2 0 326.444 1.563 20 0 EDADRP CSc1ccc([C@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000418237610 446468560 /nfs/dbraw/zinc/46/85/60/446468560.db2.gz VYGUNSKRYHVTOH-CJNGLKHVSA-N 2 0 336.505 1.920 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000420316945 446481684 /nfs/dbraw/zinc/48/16/84/446481684.db2.gz MPGFPCCJEQPVHL-MSOLQXFVSA-N 2 0 333.476 1.534 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418284309 446484581 /nfs/dbraw/zinc/48/45/81/446484581.db2.gz BNVKZQWRFABEIA-ZWKOTPCHSA-N 2 0 346.475 1.582 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[NH2+]C[C@](C)(F)C1)c1ccccc1 ZINC000420324433 446490862 /nfs/dbraw/zinc/49/08/62/446490862.db2.gz BYQYWNFVTLUPMX-AEFFLSMTSA-N 2 0 336.455 1.039 20 0 EDADRP C[C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)[C@@H]1C ZINC000420324234 446491865 /nfs/dbraw/zinc/49/18/65/446491865.db2.gz HEAZJKPORVTPJT-QZIVSUOLSA-N 2 0 337.508 1.756 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418330246 446501605 /nfs/dbraw/zinc/50/16/05/446501605.db2.gz QDQOBEUHPVXCCV-KRWDZBQOSA-N 2 0 333.480 1.687 20 0 EDADRP CC[NH2+]CCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418332605 446503636 /nfs/dbraw/zinc/50/36/36/446503636.db2.gz ZQFLHSLONKAPBN-LJQANCHMSA-N 2 0 330.476 1.904 20 0 EDADRP C[C@H](C(=O)NC(=O)NCc1ccccc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335709 446505901 /nfs/dbraw/zinc/50/59/01/446505901.db2.gz LXNZZAXVMAAOKA-OIISXLGYSA-N 2 0 344.459 1.332 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]C1 ZINC000423375509 446509054 /nfs/dbraw/zinc/50/90/54/446509054.db2.gz KRDCEFMCNSEYAS-HKUYNNGSSA-N 2 0 337.508 1.727 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)[C@H](C)C1 ZINC000418323991 446498549 /nfs/dbraw/zinc/49/85/49/446498549.db2.gz GKJZYMMMSQVYCG-SJLPKXTDSA-N 2 0 347.507 1.933 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000423358920 446498815 /nfs/dbraw/zinc/49/88/15/446498815.db2.gz OGRBWXZUJLYAOP-KONPQCLYSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1cccc(OCCNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420330244 446499271 /nfs/dbraw/zinc/49/92/71/446499271.db2.gz AOQYSEQNJLJTFZ-MSOLQXFVSA-N 2 0 345.487 1.812 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331470 446500633 /nfs/dbraw/zinc/50/06/33/446500633.db2.gz CAASRIGPOWKYLP-KGLIPLIRSA-N 2 0 331.416 1.675 20 0 EDADRP Cc1cccc2nc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cn21 ZINC000420382422 446558393 /nfs/dbraw/zinc/55/83/93/446558393.db2.gz AJMLLZYTIHJBDA-SJORKVTESA-N 2 0 326.444 1.843 20 0 EDADRP CN(CC[NH3+])CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000420382992 446558662 /nfs/dbraw/zinc/55/86/62/446558662.db2.gz QGSAQPCLLJDBQA-MRXNPFEDSA-N 2 0 338.883 1.484 20 0 EDADRP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344861 446516954 /nfs/dbraw/zinc/51/69/54/446516954.db2.gz UVUNNZHXCGROKJ-WBVHZDCISA-N 2 0 331.460 1.633 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418372919 446519627 /nfs/dbraw/zinc/51/96/27/446519627.db2.gz UJDPFCYAFQKGHU-DOTOQJQBSA-N 2 0 334.464 1.739 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)C1 ZINC000418372506 446519828 /nfs/dbraw/zinc/51/98/28/446519828.db2.gz TWBCRJXFKVABNQ-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418391578 446526427 /nfs/dbraw/zinc/52/64/27/446526427.db2.gz CCCBFGJTRKUPRU-YJBOKZPZSA-N 2 0 330.476 1.887 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000423420400 446526795 /nfs/dbraw/zinc/52/67/95/446526795.db2.gz WVZDOFQDLMLJHG-INIZCTEOSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C(C)(C)C ZINC000423418753 446527177 /nfs/dbraw/zinc/52/71/77/446527177.db2.gz ICPPMFFXFRYGIS-CVEARBPZSA-N 2 0 335.496 1.904 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000418413102 446534471 /nfs/dbraw/zinc/53/44/71/446534471.db2.gz RUXSFKPTAKKLSH-MRXNPFEDSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418415194 446535319 /nfs/dbraw/zinc/53/53/19/446535319.db2.gz NEPJWYURJYLXEC-DLBZAZTESA-N 2 0 330.476 1.887 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)C2(C)C[NH2+]C2)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000423436107 446536102 /nfs/dbraw/zinc/53/61/02/446536102.db2.gz ZHZSCFDIPWIWNW-MRXNPFEDSA-N 2 0 344.459 1.401 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@H](O)C[NH3+] ZINC000420359789 446539917 /nfs/dbraw/zinc/53/99/17/446539917.db2.gz WCVQAIVLSMSGFU-GFCCVEGCSA-N 2 0 330.226 1.029 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418426402 446540222 /nfs/dbraw/zinc/54/02/22/446540222.db2.gz LWLGGXLKWBRLIL-SQNIBIBYSA-N 2 0 348.491 1.294 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423447089 446541310 /nfs/dbraw/zinc/54/13/10/446541310.db2.gz ZGDYAPLPQINLRS-WBMJQRKESA-N 2 0 325.478 1.819 20 0 EDADRP Cc1ccc([C@H](CCn2cncn2)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423492559 446553331 /nfs/dbraw/zinc/55/33/31/446553331.db2.gz NQCADTRIKVVVCF-ROUUACIJSA-N 2 0 329.448 1.686 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)CN2C[C@@H](C)[C@H]([NH3+])C2)CC1 ZINC000420377608 446554425 /nfs/dbraw/zinc/55/44/25/446554425.db2.gz PVGRYHIBZVOVMI-IEBWSBKVSA-N 2 0 344.503 1.308 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418503351 446568728 /nfs/dbraw/zinc/56/87/28/446568728.db2.gz YABHQTMCOXKJNM-QGZVFWFLSA-N 2 0 330.432 1.375 20 0 EDADRP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCC(O)(C[NH3+])CC2)cc1 ZINC000420401963 446574543 /nfs/dbraw/zinc/57/45/43/446574543.db2.gz HHWGHRLNMYRXEF-HUUCEWRRSA-N 2 0 333.476 1.600 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC2(C)CC[NH2+]CC2)C1 ZINC000418512167 446575388 /nfs/dbraw/zinc/57/53/88/446575388.db2.gz DUGGRSUAWJWEQU-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418560072 446595384 /nfs/dbraw/zinc/59/53/84/446595384.db2.gz PYLKGMPFKWUKBL-XOKHGSTOSA-N 2 0 334.464 1.438 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000418569825 446597987 /nfs/dbraw/zinc/59/79/87/446597987.db2.gz CHJPUWDWEICECD-SFHVURJKSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418587662 446603574 /nfs/dbraw/zinc/60/35/74/446603574.db2.gz GYUSWPRIXSBZGE-SJLPKXTDSA-N 2 0 330.476 1.902 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418586626 446603772 /nfs/dbraw/zinc/60/37/72/446603772.db2.gz QKLIPLDZQHZCOK-BRWVUGGUSA-N 2 0 337.512 1.068 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC2=CC[NH2+]CC2)C[C@@H]1CC ZINC000418596050 446608890 /nfs/dbraw/zinc/60/88/90/446608890.db2.gz BJFTYQKRLFAFLL-KRWDZBQOSA-N 2 0 338.496 1.439 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434351850 446637101 /nfs/dbraw/zinc/63/71/01/446637101.db2.gz LTKCMVDMYPXSPE-SJORKVTESA-N 2 0 338.496 1.149 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000376678099 446646205 /nfs/dbraw/zinc/64/62/05/446646205.db2.gz GWTAMDPAFFPBJD-BZSNNMDCSA-N 2 0 345.491 1.858 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418736376 446660478 /nfs/dbraw/zinc/66/04/78/446660478.db2.gz URCFEOREEZDGLS-GOSISDBHSA-N 2 0 347.507 1.183 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000418749704 446670303 /nfs/dbraw/zinc/67/03/03/446670303.db2.gz MTFWSXMXMGCJQX-SQNIBIBYSA-N 2 0 330.476 1.903 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000418646985 446630719 /nfs/dbraw/zinc/63/07/19/446630719.db2.gz XTACDDDAJAMOAS-MPGHIAIKSA-N 2 0 330.476 1.998 20 0 EDADRP COCC[NH2+]CC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000423825779 446713314 /nfs/dbraw/zinc/71/33/14/446713314.db2.gz LZEHIXYXLAUZBP-IEBWSBKVSA-N 2 0 347.459 1.325 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371293302 446750002 /nfs/dbraw/zinc/75/00/02/446750002.db2.gz GMTVVPSWQQTVJY-FTEYMNFISA-N 2 0 348.487 1.918 20 0 EDADRP O=C(COC1C[NH2+]C1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423900537 446752354 /nfs/dbraw/zinc/75/23/54/446752354.db2.gz KGJUUBVXKFPXOH-IEBWSBKVSA-N 2 0 343.471 1.488 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917404 446767508 /nfs/dbraw/zinc/76/75/08/446767508.db2.gz ZMXRWHWBNYCLLF-CEXWTWQISA-N 2 0 345.487 1.863 20 0 EDADRP COC1([C@@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000412020164 446787509 /nfs/dbraw/zinc/78/75/09/446787509.db2.gz JXSBMHLBLFATIR-HZPDHXFCSA-N 2 0 341.496 1.007 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000375427095 446792661 /nfs/dbraw/zinc/79/26/61/446792661.db2.gz RVOGKYYTUOCGAK-MRXNPFEDSA-N 2 0 345.487 1.979 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCCC23CC[NH+](C)CC3)CC1 ZINC000371403627 446832777 /nfs/dbraw/zinc/83/27/77/446832777.db2.gz ADJRQHFXXYNIJO-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP [NH3+]C[C@@H](NC(=O)C(=O)NCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000418996793 446854168 /nfs/dbraw/zinc/85/41/68/446854168.db2.gz KOJMIOQPYLGGGV-MRXNPFEDSA-N 2 0 338.496 1.002 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377032484 446872721 /nfs/dbraw/zinc/87/27/21/446872721.db2.gz RBKXUFWLKSNGPT-QYZOEREBSA-N 2 0 335.540 1.172 20 0 EDADRP C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1)C(=O)NCC[NH+]1CCCCC1 ZINC000412320827 446933410 /nfs/dbraw/zinc/93/34/10/446933410.db2.gz MCWCWKUAKPKWDR-CQSZACIVSA-N 2 0 343.431 1.055 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000371675442 446947800 /nfs/dbraw/zinc/94/78/00/446947800.db2.gz HLXQZAJGTBQYBO-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1F ZINC000442784965 446967815 /nfs/dbraw/zinc/96/78/15/446967815.db2.gz SRDVMOVKPWUOFB-VNHYZAJKSA-N 2 0 337.439 1.850 20 0 EDADRP COCC[C@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[NH2+]C1 ZINC000372120834 447014084 /nfs/dbraw/zinc/01/40/84/447014084.db2.gz GCOYCGBOCGUYMQ-LJQANCHMSA-N 2 0 349.475 1.259 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000419162048 446979541 /nfs/dbraw/zinc/97/95/41/446979541.db2.gz SXKSCJCHXJMFPZ-HOTGVXAUSA-N 2 0 340.512 1.055 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000419176444 446992011 /nfs/dbraw/zinc/99/20/11/446992011.db2.gz ZEFDUYFWJJMINS-OWCLPIDISA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000372099503 446999879 /nfs/dbraw/zinc/99/98/79/446999879.db2.gz VMQGYERSLVNDDG-XOYOTBSWSA-N 2 0 331.460 1.380 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCCCOc2ccccc2F)C1 ZINC000443059617 447002579 /nfs/dbraw/zinc/00/25/79/447002579.db2.gz NIXKZZNLWCHXRN-HNNXBMFYSA-N 2 0 337.439 1.772 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000419191354 447002871 /nfs/dbraw/zinc/00/28/71/447002871.db2.gz OAGCPVQJRFYSRZ-GJZGRUSLSA-N 2 0 346.475 1.141 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000368717833 447064589 /nfs/dbraw/zinc/06/45/89/447064589.db2.gz CGIOTSJGZFTYPO-UHFFFAOYSA-N 2 0 328.501 1.207 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000375912538 447142586 /nfs/dbraw/zinc/14/25/86/447142586.db2.gz PNEKZYJCDCPRSY-SFHVURJKSA-N 2 0 331.460 1.408 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375897808 447130295 /nfs/dbraw/zinc/13/02/95/447130295.db2.gz LSSWVGXANAOZBS-KZNAEPCWSA-N 2 0 331.460 1.887 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000375973890 447185037 /nfs/dbraw/zinc/18/50/37/447185037.db2.gz IHGNTEJXIWOTIS-IEBWSBKVSA-N 2 0 331.460 1.633 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425482683 447185776 /nfs/dbraw/zinc/18/57/76/447185776.db2.gz TUUPHQKUNHNYHH-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP Cn1cc([C@@H]2C[C@@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000368899713 447189154 /nfs/dbraw/zinc/18/91/54/447189154.db2.gz MTAHLKQTRTVQHI-IRXDYDNUSA-N 2 0 335.496 1.256 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)cc(OC)c1O ZINC000377539201 447190102 /nfs/dbraw/zinc/19/01/02/447190102.db2.gz BZWLNOZGMKJGDA-HNNXBMFYSA-N 2 0 349.475 1.668 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC000377539813 447191760 /nfs/dbraw/zinc/19/17/60/447191760.db2.gz FYFKXYMYEIVBOJ-HOTGVXAUSA-N 2 0 333.432 1.048 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000377556133 447201767 /nfs/dbraw/zinc/20/17/67/447201767.db2.gz YXGADWDQHPLRAN-CXAGYDPISA-N 2 0 345.443 1.922 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000446259532 447247049 /nfs/dbraw/zinc/24/70/49/447247049.db2.gz XRMWWUNGXPYSLQ-IIDMSEBBSA-N 2 0 325.497 1.757 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]([NH+]4CC=CC4)C3)n2)CC1 ZINC000376047328 447233385 /nfs/dbraw/zinc/23/33/85/447233385.db2.gz UDESQKVNDRTBNQ-INIZCTEOSA-N 2 0 344.463 1.628 20 0 EDADRP COC(=O)c1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cn1C ZINC000377615660 447244875 /nfs/dbraw/zinc/24/48/75/447244875.db2.gz NBIWUPZNNLBPHQ-QGZVFWFLSA-N 2 0 348.491 1.412 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000369048679 447288724 /nfs/dbraw/zinc/28/87/24/447288724.db2.gz WQMSUNBCCCRSLA-BRWVUGGUSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)CC1(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000369060809 447295938 /nfs/dbraw/zinc/29/59/38/447295938.db2.gz BOSYITZEPUVKFH-UHFFFAOYSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@H]3C[NH+](C)C[C@H]32)CCCO1 ZINC000425733422 447283179 /nfs/dbraw/zinc/28/31/79/447283179.db2.gz AKPMWHGRRFRSIO-YESZJQIVSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458707133 447457924 /nfs/dbraw/zinc/45/79/24/447457924.db2.gz NKCKLIKQEADTPP-MRXNPFEDSA-N 2 0 338.496 1.007 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426675111 447490020 /nfs/dbraw/zinc/49/00/20/447490020.db2.gz PHHIWOBBENUWNG-GOSISDBHSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000419928868 447496049 /nfs/dbraw/zinc/49/60/49/447496049.db2.gz LOUJYJRRBSHMFZ-DOTOQJQBSA-N 2 0 346.475 1.041 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878658 447504882 /nfs/dbraw/zinc/50/48/82/447504882.db2.gz VDDITWTYFBYNMP-RBUKOAKNSA-N 2 0 344.459 1.125 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427333466 447583012 /nfs/dbraw/zinc/58/30/12/447583012.db2.gz ZPPBHLWBBYAPDJ-MRXNPFEDSA-N 2 0 330.476 1.547 20 0 EDADRP CCn1ccnc1[C@@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000459043464 447549803 /nfs/dbraw/zinc/54/98/03/447549803.db2.gz CYAPNRQYLABIFU-CABCVRRESA-N 2 0 337.468 1.356 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@](C)(O)CC[NH+](C)C)c1ccccc1 ZINC000420033195 447557843 /nfs/dbraw/zinc/55/78/43/447557843.db2.gz GVROMKPZNMXTPC-IEBWSBKVSA-N 2 0 335.492 1.888 20 0 EDADRP CC1(C)CC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC(C)(C)[NH2+]1 ZINC000457397779 447572383 /nfs/dbraw/zinc/57/23/83/447572383.db2.gz WIAZALTWYZKTTR-HNNXBMFYSA-N 2 0 340.512 1.442 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400503032 447572973 /nfs/dbraw/zinc/57/29/73/447572973.db2.gz JAWMQYLFHNJYJP-HUUCEWRRSA-N 2 0 341.496 1.821 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)C[C@@H]3CC[NH2+]C3)CCCCC2)CCO1 ZINC000427274947 447573783 /nfs/dbraw/zinc/57/37/83/447573783.db2.gz RFYBMORIYWHYFB-INIZCTEOSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000459333277 447636731 /nfs/dbraw/zinc/63/67/31/447636731.db2.gz IIFYDMUKUBPWRY-ZDUSSCGKSA-N 2 0 334.464 1.584 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1CC[NH3+] ZINC000404300863 447598462 /nfs/dbraw/zinc/59/84/62/447598462.db2.gz ZDENXBOKOIXUQY-YOEHRIQHSA-N 2 0 339.505 1.886 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CN1CC[NH2+]CC1 ZINC000404403927 447599110 /nfs/dbraw/zinc/59/91/10/447599110.db2.gz XULMHGMIXZGZGD-RCCFBDPRSA-N 2 0 344.503 1.402 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000459163405 447602782 /nfs/dbraw/zinc/60/27/82/447602782.db2.gz LABVKXVQYHFRPU-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000420127996 447621188 /nfs/dbraw/zinc/62/11/88/447621188.db2.gz SNHZRNWDZWTPHL-HOTGVXAUSA-N 2 0 338.496 1.097 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C2C[NH+](C3CCCCC3)C2)C1 ZINC000457800524 447634220 /nfs/dbraw/zinc/63/42/20/447634220.db2.gz UDCFMNFHHAVLPI-OALUTQOASA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000416861973 447698434 /nfs/dbraw/zinc/69/84/34/447698434.db2.gz FOUPYKXSEDFIQV-JKSUJKDBSA-N 2 0 326.485 1.032 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000459541356 447700394 /nfs/dbraw/zinc/70/03/94/447700394.db2.gz WEFIQWBMUMMMPA-UHFFFAOYSA-N 2 0 347.507 1.909 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000457879469 447659806 /nfs/dbraw/zinc/65/98/06/447659806.db2.gz XVBHSXFPJOASJY-UHFFFAOYSA-N 2 0 333.480 1.685 20 0 EDADRP C[C@@H]1CN(Cc2cccc(CNC(=O)NC(C)(C)CC[NH3+])c2)CCO1 ZINC000422602108 447665092 /nfs/dbraw/zinc/66/50/92/447665092.db2.gz ZPDWDQPVGCNLDJ-OAHLLOKOSA-N 2 0 348.491 1.834 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000422613402 447669467 /nfs/dbraw/zinc/66/94/67/447669467.db2.gz WTYZMBYEVUWFAL-UHFFFAOYSA-N 2 0 333.480 1.733 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000416801911 447687585 /nfs/dbraw/zinc/68/75/85/447687585.db2.gz HGAWVYAWFFTSQV-GOSISDBHSA-N 2 0 348.491 1.829 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000422716119 447726414 /nfs/dbraw/zinc/72/64/14/447726414.db2.gz MXPLILYBYYLBOI-IPELMVKDSA-N 3 0 335.492 1.859 20 0 EDADRP CC[C@H](CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417005549 447729341 /nfs/dbraw/zinc/72/93/41/447729341.db2.gz DMWNTFZDQJPQKX-OLMNPRSZSA-N 2 0 330.476 1.812 20 0 EDADRP CC[C@H](CNC(=O)NC1CC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417009293 447729651 /nfs/dbraw/zinc/72/96/51/447729651.db2.gz KEGCUYJZPHCJGM-GOSISDBHSA-N 2 0 330.476 1.875 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000429138194 447730326 /nfs/dbraw/zinc/73/03/26/447730326.db2.gz DXLDCZVOGABIJO-MAUKXSAKSA-N 2 0 330.476 1.638 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422776384 447747091 /nfs/dbraw/zinc/74/70/91/447747091.db2.gz DJXHWRJCLJUUKS-MRXNPFEDSA-N 2 0 331.464 1.727 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](CC(C)C)N(C)C)CC[NH2+]CC1 ZINC000422817119 447757348 /nfs/dbraw/zinc/75/73/48/447757348.db2.gz GTLFMLVSNMYIQA-JKSUJKDBSA-N 2 0 327.513 1.874 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422851403 447769603 /nfs/dbraw/zinc/76/96/03/447769603.db2.gz FMCQCBPCKMIAIB-QCQGSNGOSA-N 2 0 325.403 1.885 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422913548 447771456 /nfs/dbraw/zinc/77/14/56/447771456.db2.gz QEBIXIYOGBZXBR-ZWKOTPCHSA-N 3 0 332.492 1.585 20 0 EDADRP COc1ccc([C@H](NC[C@@H]2C[N@H+](C)CCN2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422914789 447771782 /nfs/dbraw/zinc/77/17/82/447771782.db2.gz VZVBBTRHYCHYKK-QRQLOZEOSA-N 2 0 332.492 1.324 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000422935571 447776227 /nfs/dbraw/zinc/77/62/27/447776227.db2.gz KYNRFCRGTOWJMO-GOEBONIOSA-N 2 0 325.478 1.251 20 0 EDADRP O=C(C1CCC1)N1CCN(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000422952385 447779530 /nfs/dbraw/zinc/77/95/30/447779530.db2.gz AXFOBNSONILMRP-IPMKNSEASA-N 2 0 348.535 1.441 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000422973949 447785869 /nfs/dbraw/zinc/78/58/69/447785869.db2.gz CZNUMNMQQNYHPV-CEXWTWQISA-N 2 0 335.492 1.213 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(Cc2ccc(OC)cc2)C1=O ZINC000422977475 447786156 /nfs/dbraw/zinc/78/61/56/447786156.db2.gz FNFIYXNPPSZGGL-DOTOQJQBSA-N 2 0 335.448 1.140 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)[C@@H](C)C1 ZINC000430798816 447786491 /nfs/dbraw/zinc/78/64/91/447786491.db2.gz VDUYTDOWXAPRGJ-BBRMVZONSA-N 2 0 348.495 1.313 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H](C[NH3+])C1 ZINC000430930406 447788016 /nfs/dbraw/zinc/78/80/16/447788016.db2.gz ALIWYTQAWUZGMA-WMZOPIPTSA-N 2 0 344.503 1.436 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000487083919 447827229 /nfs/dbraw/zinc/82/72/29/447827229.db2.gz LXGOERWBXKRYHR-OAGGEKHMSA-N 2 0 325.522 1.899 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000487330575 447829481 /nfs/dbraw/zinc/82/94/81/447829481.db2.gz FIYGMTKQZXZMMQ-OAHLLOKOSA-N 2 0 333.476 1.665 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000489766480 447872964 /nfs/dbraw/zinc/87/29/64/447872964.db2.gz PSVJAJSOYYFFFT-YESZJQIVSA-N 2 0 340.512 1.251 20 0 EDADRP CCOC(=O)N1CCCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000496749557 447879699 /nfs/dbraw/zinc/87/96/99/447879699.db2.gz CBJAVIFNKHSLHG-MRXNPFEDSA-N 2 0 335.448 1.902 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569720399 447876988 /nfs/dbraw/zinc/87/69/88/447876988.db2.gz CCXABTMWRSLULR-BFYDXBDKSA-N 2 0 325.497 1.661 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000524694269 447940905 /nfs/dbraw/zinc/94/09/05/447940905.db2.gz GGTGGFPUYKOENF-IEBWSBKVSA-N 2 0 342.487 1.989 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000570382552 447997977 /nfs/dbraw/zinc/99/79/77/447997977.db2.gz PAWKPXRSRAXVEA-CRAIPNDOSA-N 2 0 328.460 1.868 20 0 EDADRP CC1(C)C[NH+](Cc2cncc(C[N@@H+]3C[C@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000576227702 448004041 /nfs/dbraw/zinc/00/40/41/448004041.db2.gz YSHRYFCFBRJQQU-IRXDYDNUSA-N 2 0 333.476 1.487 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N2CCN(C(=O)OC(C)(C)C)CC2)C1 ZINC000497254617 448009931 /nfs/dbraw/zinc/00/99/31/448009931.db2.gz VYRZOJLKGZDVLW-CQSZACIVSA-N 2 0 339.484 1.405 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000570270702 447973328 /nfs/dbraw/zinc/97/33/28/447973328.db2.gz IGVYFEGJVTURKZ-LJQANCHMSA-N 2 0 339.524 1.674 20 0 EDADRP CCN(CC)C(=O)OC[C@H]1CCCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000496906583 448023255 /nfs/dbraw/zinc/02/32/55/448023255.db2.gz GHMONSIOQAMXMS-SJORKVTESA-N 2 0 341.496 1.774 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000576443838 448054125 /nfs/dbraw/zinc/05/41/25/448054125.db2.gz FEEPJTBNECIUPO-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000531293685 448056407 /nfs/dbraw/zinc/05/64/07/448056407.db2.gz GVCWFZDBIITQFA-FQEVSTJZSA-N 2 0 345.487 1.424 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@H](C)C1 ZINC000497608329 448072774 /nfs/dbraw/zinc/07/27/74/448072774.db2.gz DGWKGQLZQMQSLJ-OWCLPIDISA-N 2 0 328.501 1.373 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)c1cccc(NS(C)(=O)=O)c1 ZINC000556078509 448104294 /nfs/dbraw/zinc/10/42/94/448104294.db2.gz OVVIESSDQFNXJW-ZDUSSCGKSA-N 2 0 329.466 1.287 20 0 EDADRP O=C(OCc1ccccc1)N1CCC([NH2+]C[C@@H]2C[NH2+]CCCO2)CC1 ZINC000496994697 448105915 /nfs/dbraw/zinc/10/59/15/448105915.db2.gz GWQMQKPAVPGBEU-SFHVURJKSA-N 2 0 347.459 1.756 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000556093109 448106475 /nfs/dbraw/zinc/10/64/75/448106475.db2.gz NWAHRHGHRCWMLA-UHFFFAOYSA-N 2 0 327.476 1.990 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C(C)(C)C[NH+](C)C ZINC000497052464 448157905 /nfs/dbraw/zinc/15/79/05/448157905.db2.gz HNYYHIGHIXHFGD-KBPBESRZSA-N 2 0 331.501 1.780 20 0 EDADRP COC[C@@]1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCC[NH2+]1 ZINC000576871957 448158939 /nfs/dbraw/zinc/15/89/39/448158939.db2.gz MQRJOZCTKFZLHO-HKUYNNGSSA-N 2 0 346.475 1.178 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000497006137 448114746 /nfs/dbraw/zinc/11/47/46/448114746.db2.gz WIYCVGQTLWKJOO-JKSUJKDBSA-N 2 0 342.528 1.905 20 0 EDADRP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000531714376 448132068 /nfs/dbraw/zinc/13/20/68/448132068.db2.gz CGNZQYQWKZFKEQ-MNEFBYGVSA-N 2 0 344.503 1.424 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000576799244 448140600 /nfs/dbraw/zinc/14/06/00/448140600.db2.gz IZOBEIKGTWVIEG-WMZOPIPTSA-N 2 0 345.491 1.603 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[N@H+](C)C1CC1 ZINC000531770778 448141759 /nfs/dbraw/zinc/14/17/59/448141759.db2.gz FKPJQILJSMCHED-COXVUDFISA-N 2 0 338.496 1.146 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)c3ccccc3CC[NH3+])CC2)CC1 ZINC000571575121 448173825 /nfs/dbraw/zinc/17/38/25/448173825.db2.gz MRIUNXLDOUKGQZ-UHFFFAOYSA-N 2 0 344.503 1.476 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000571817924 448211081 /nfs/dbraw/zinc/21/10/81/448211081.db2.gz CPOIROJPRGELHD-INIZCTEOSA-N 2 0 335.496 1.543 20 0 EDADRP CC(C)C[C@@H](CNC(=O)[C@H]1CCc2cncn2C1)N1CCOCC1 ZINC000571685298 448190899 /nfs/dbraw/zinc/19/08/99/448190899.db2.gz FRYNPYUFFRHTRP-RDJZCZTQSA-N 2 0 334.464 1.309 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC1 ZINC000527327765 448210493 /nfs/dbraw/zinc/21/04/93/448210493.db2.gz KZZLZCDEUDDTJC-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000571522081 448165380 /nfs/dbraw/zinc/16/53/80/448165380.db2.gz FBPIFGAVGWTEPL-IRXDYDNUSA-N 2 0 345.491 1.658 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000576898594 448167081 /nfs/dbraw/zinc/16/70/81/448167081.db2.gz IYPLGVTZWWAMSE-MSOLQXFVSA-N 2 0 332.492 1.432 20 0 EDADRP CN1CC[C@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514924348 448225063 /nfs/dbraw/zinc/22/50/63/448225063.db2.gz CDKDTULCESCUOI-UGFHNGPFSA-N 2 0 340.830 1.967 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000577264965 448250839 /nfs/dbraw/zinc/25/08/39/448250839.db2.gz JOHRHYIDAAECBS-QZTJIDSGSA-N 2 0 332.492 1.895 20 0 EDADRP C[N@H+](CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O)Cc1ccccc1 ZINC000577403305 448289228 /nfs/dbraw/zinc/28/92/28/448289228.db2.gz JSVLXZAKIGZUMB-UHFFFAOYSA-N 2 0 344.459 1.619 20 0 EDADRP Cc1ccccc1[C@H](CO)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000582652244 448298920 /nfs/dbraw/zinc/29/89/20/448298920.db2.gz GKSZOSPISCWDDI-SFHVURJKSA-N 2 0 333.476 1.607 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC(CC[NH3+])CC2)C[C@H](C)O1 ZINC000515855902 448359476 /nfs/dbraw/zinc/35/94/76/448359476.db2.gz LAAFHJANMUDAMM-GASCZTMLSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000572264116 448332295 /nfs/dbraw/zinc/33/22/95/448332295.db2.gz XCFXBZAWEIWOOM-BFHYXJOUSA-N 2 0 330.423 1.547 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCCN1CCOC[C@H]1C ZINC000591574034 448393626 /nfs/dbraw/zinc/39/36/26/448393626.db2.gz UWRZDWHFYOCVBS-YYIAUSFCSA-N 2 0 340.512 1.373 20 0 EDADRP CNC(=O)CCC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516192316 448395136 /nfs/dbraw/zinc/39/51/36/448395136.db2.gz YQNIYHRHMKILQV-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)c1 ZINC000566162928 448400544 /nfs/dbraw/zinc/40/05/44/448400544.db2.gz NHVWZOAXJGMTMB-CRAIPNDOSA-N 2 0 349.475 1.258 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000583023581 448406167 /nfs/dbraw/zinc/40/61/67/448406167.db2.gz YLTJLWWQAWJUBA-HCMIALLCSA-N 2 0 337.512 1.065 20 0 EDADRP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C[NH+](C)C ZINC000572585287 448414498 /nfs/dbraw/zinc/41/44/98/448414498.db2.gz JDXLMCRTMPAOCL-OXJNMPFZSA-N 2 0 347.503 1.716 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CCCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000566610757 448518744 /nfs/dbraw/zinc/51/87/44/448518744.db2.gz XOUYQVCABCPHAH-NJAFHUGGSA-N 2 0 346.475 1.409 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000537961717 448575693 /nfs/dbraw/zinc/57/56/93/448575693.db2.gz VLMWSJXZHDFHOY-BZUAXINKSA-N 2 0 343.479 1.271 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)CC[NH2+]CC1 ZINC000573082323 448537615 /nfs/dbraw/zinc/53/76/15/448537615.db2.gz OQWPUEXWSUINAJ-BBRMVZONSA-N 2 0 346.475 1.553 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)C1 ZINC000517107569 448538838 /nfs/dbraw/zinc/53/88/38/448538838.db2.gz LHWVVEJPSDQAHU-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000517732637 448610782 /nfs/dbraw/zinc/61/07/82/448610782.db2.gz MMBXHCBHQVSRBD-BQFCYCMXSA-N 2 0 327.513 1.168 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC1 ZINC000539439359 448612257 /nfs/dbraw/zinc/61/22/57/448612257.db2.gz XRMQQLLMRWCVKY-LJQANCHMSA-N 2 0 329.444 1.002 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000573407133 448618329 /nfs/dbraw/zinc/61/83/29/448618329.db2.gz FPMPPNCDLODPAA-WMZOPIPTSA-N 2 0 337.508 1.747 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000573275608 448585140 /nfs/dbraw/zinc/58/51/40/448585140.db2.gz VQCKNBYJPGXBPV-SYJJWHGVSA-N 2 0 336.480 1.751 20 0 EDADRP CN(Cc1ccccc1)[C@@H](C[NH2+]C[C@H](O)CN1CCOCC1)C1CC1 ZINC000573318194 448595543 /nfs/dbraw/zinc/59/55/43/448595543.db2.gz LDVHBJPBTBSGPJ-PMACEKPBSA-N 2 0 347.503 1.180 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000584828960 448647257 /nfs/dbraw/zinc/64/72/57/448647257.db2.gz QGPCQWAOPRWAOI-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000518176484 448651264 /nfs/dbraw/zinc/65/12/64/448651264.db2.gz VPBDHQCRIDVMRU-QAPCUYQASA-N 2 0 336.524 1.569 20 0 EDADRP [NH3+]CC12CCC(CC1)CN2C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000567175448 448631359 /nfs/dbraw/zinc/63/13/59/448631359.db2.gz KQDFRYUSQPQJFW-UHFFFAOYSA-N 2 0 335.492 1.751 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)cn1 ZINC000518724358 448703049 /nfs/dbraw/zinc/70/30/49/448703049.db2.gz VUADNAYQZZESDS-BMGDILEWSA-N 2 0 333.476 1.989 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000567362151 448676986 /nfs/dbraw/zinc/67/69/86/448676986.db2.gz SDSDWVUSJRZGAM-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2OCC[NH+](C)C)C1 ZINC000592095621 448679187 /nfs/dbraw/zinc/67/91/87/448679187.db2.gz YDKOSNNYGPVTNI-MRXNPFEDSA-N 2 0 349.475 1.468 20 0 EDADRP C[C@H](OCc1ccc(F)cc1)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574007677 448768026 /nfs/dbraw/zinc/76/80/26/448768026.db2.gz KLPFYBYNZVUHNB-HNNXBMFYSA-N 2 0 339.455 1.683 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000586788738 448812523 /nfs/dbraw/zinc/81/25/23/448812523.db2.gz CHLFLDODLUXOIP-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CCC(CC)[C@H](C(=O)N1CCNC[C@](C)(F)C1)N1CCOCC1 ZINC000579352690 448774824 /nfs/dbraw/zinc/77/48/24/448774824.db2.gz IELSFHHFWDXIRL-WBVHZDCISA-N 2 0 329.460 1.283 20 0 EDADRP COc1cccc(OC)c1OC[C@H](O)C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000579662489 448842631 /nfs/dbraw/zinc/84/26/31/448842631.db2.gz KCIAHKMDBLEBBC-SOUVJXGZSA-N 2 0 338.448 1.516 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)C1 ZINC000568247084 448843516 /nfs/dbraw/zinc/84/35/16/448843516.db2.gz BFBLXNIBJVLURX-QWHCGFSZSA-N 2 0 331.869 1.478 20 0 EDADRP Cc1nc(NCC2=CC[N@H+](C)CC2)cc(NCC2=CC[NH+](C)CC2)[nH+]1 ZINC000546888278 448853372 /nfs/dbraw/zinc/85/33/72/448853372.db2.gz ATWNYAOHVWKORA-UHFFFAOYSA-N 3 0 342.491 2.133 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)C(=O)Nc3ccc4c(c3)C[NH2+]C4)C2)C1 ZINC000579932101 448911910 /nfs/dbraw/zinc/91/19/10/448911910.db2.gz OLTKAWWOEBKOLJ-IBGZPJMESA-N 2 0 342.443 1.173 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000568738714 448913013 /nfs/dbraw/zinc/91/30/13/448913013.db2.gz NMDXQVRZYNXURH-UHFFFAOYSA-N 2 0 336.480 1.050 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@H]1C ZINC000574641777 448923578 /nfs/dbraw/zinc/92/35/78/448923578.db2.gz ZREICYPNNVPYSY-PVAVHDDUSA-N 2 0 333.480 1.752 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c21 ZINC000592537480 448887807 /nfs/dbraw/zinc/88/78/07/448887807.db2.gz FYVBXLVXINDWNI-SQWLQELKSA-N 2 0 331.464 1.323 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3nc4c(s3)C[C@@H]([NH3+])CC4)c21 ZINC000592551335 448895559 /nfs/dbraw/zinc/89/55/59/448895559.db2.gz LEOCVLYKCHIDKJ-UWVGGRQHSA-N 2 0 346.460 1.244 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000521029733 448947416 /nfs/dbraw/zinc/94/74/16/448947416.db2.gz ORLBEUWHGSFYSR-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)S(C)(=O)=O ZINC000568983303 448948468 /nfs/dbraw/zinc/94/84/68/448948468.db2.gz HDSFDIJZZWHXDN-YOEHRIQHSA-N 2 0 340.489 1.166 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)nc1 ZINC000569110951 448963014 /nfs/dbraw/zinc/96/30/14/448963014.db2.gz KCGVLXAYQDGKQX-SJORKVTESA-N 2 0 346.475 1.686 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H](O)CC2CCCC2)(N2CCOCC2)CC1 ZINC000574869682 448974253 /nfs/dbraw/zinc/97/42/53/448974253.db2.gz YREYYKYESHAQQS-SFHVURJKSA-N 2 0 339.524 1.314 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)COCc1cccs1)CN1CC[NH+](C)CC1 ZINC000569232212 448985644 /nfs/dbraw/zinc/98/56/44/448985644.db2.gz NZJOYLGTUMVXPU-HZPDHXFCSA-N 2 0 341.521 1.099 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000521583079 448996958 /nfs/dbraw/zinc/99/69/58/448996958.db2.gz BBCKHKMCSCZZNZ-GJZGRUSLSA-N 2 0 332.448 1.830 20 0 EDADRP CCc1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1C ZINC000574987980 449007240 /nfs/dbraw/zinc/00/72/40/449007240.db2.gz YRXYDXFXEPNZMC-UHFFFAOYSA-N 2 0 327.498 1.971 20 0 EDADRP COc1ccc2nc(CN3CCN4C(=O)[C@H]([NH3+])C[C@@H]4C3)sc2c1 ZINC000582133287 449020367 /nfs/dbraw/zinc/02/03/67/449020367.db2.gz QPVDIXZHYJQSGT-ZYHUDNBSSA-N 2 0 332.429 1.049 20 0 EDADRP COc1c(N)ncnc1NC[C@@H](C)[NH+]1CCN(c2ccccc2)CC1 ZINC000582191602 449034180 /nfs/dbraw/zinc/03/41/80/449034180.db2.gz DFHCOOJGCBIUSU-CQSZACIVSA-N 2 0 342.447 1.690 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000582354399 449071533 /nfs/dbraw/zinc/07/15/33/449071533.db2.gz FHTOBBTWXVEHBB-CYBMUJFWSA-N 2 0 327.375 1.761 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582365262 449076472 /nfs/dbraw/zinc/07/64/72/449076472.db2.gz OTHMXQYBWAZGJA-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956852 449078031 /nfs/dbraw/zinc/07/80/31/449078031.db2.gz ZZQBHNWZYIXIGD-RDJZCZTQSA-N 2 0 341.459 1.752 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000582230946 449043004 /nfs/dbraw/zinc/04/30/04/449043004.db2.gz RTOCQEKLHMNNJT-AZUAARDMSA-N 2 0 344.503 1.931 20 0 EDADRP O[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000569595901 449053956 /nfs/dbraw/zinc/05/39/56/449053956.db2.gz XPDDJYQMNNLBJF-CQSZACIVSA-N 2 0 332.370 1.107 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592964522 449087624 /nfs/dbraw/zinc/08/76/24/449087624.db2.gz LQBDQOSYTBALCD-HUUCEWRRSA-N 2 0 333.480 1.523 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CC[C@@H]3CCCC[C@@H]32)C1 ZINC000575398700 449088313 /nfs/dbraw/zinc/08/83/13/449088313.db2.gz ZDDFZDZNYGZFCR-BZSNNMDCSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)N1CCOCC1 ZINC000548717037 449088439 /nfs/dbraw/zinc/08/84/39/449088439.db2.gz DTXHZLLJIMCMRY-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000530235483 449089285 /nfs/dbraw/zinc/08/92/85/449089285.db2.gz YUWDCQRGIQTRIF-UAGQMJEPSA-N 2 0 338.473 1.389 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240965 449091818 /nfs/dbraw/zinc/09/18/18/449091818.db2.gz OJHHMJFYUMANJV-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895727 449238890 /nfs/dbraw/zinc/23/88/90/449238890.db2.gz TYIBKJMZECPTLJ-JKSUJKDBSA-N 2 0 337.464 1.005 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@@H]1C ZINC000600683170 449491032 /nfs/dbraw/zinc/49/10/32/449491032.db2.gz SIHCVGLOMSEHLI-WMHQRMGPSA-N 2 0 335.452 1.270 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C1CCOCC1 ZINC000602481628 449625765 /nfs/dbraw/zinc/62/57/65/449625765.db2.gz HCYQPGHFYKDFBQ-RBUKOAKNSA-N 2 0 339.524 1.528 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1)[C@H]1CCC[N@H+](C)C1 ZINC000607686982 449635143 /nfs/dbraw/zinc/63/51/43/449635143.db2.gz NUBXZAIBDSYHGK-MSOLQXFVSA-N 2 0 330.476 1.846 20 0 EDADRP CCN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H]1CC[N@H+](C)C1 ZINC000617555078 449684404 /nfs/dbraw/zinc/68/44/04/449684404.db2.gz PMYCXRMDFHSEFQ-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)(C)OC(=O)COCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000601296685 449808443 /nfs/dbraw/zinc/80/84/43/449808443.db2.gz XGLIEEAAFOSZON-INIZCTEOSA-N 2 0 342.480 1.578 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617765071 449827182 /nfs/dbraw/zinc/82/71/82/449827182.db2.gz SEVWOAVKKXAIRD-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)N1CCOCC1 ZINC000599301060 449874029 /nfs/dbraw/zinc/87/40/29/449874029.db2.gz APMIKVBDVSWNKZ-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N[C@]1(C)CC[NH2+]C1)C1CC1 ZINC000612901518 449934024 /nfs/dbraw/zinc/93/40/24/449934024.db2.gz GCVXXYJEAPVOTO-IEBWSBKVSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)c1cccc(F)c1 ZINC000612962427 449958503 /nfs/dbraw/zinc/95/85/03/449958503.db2.gz BNCGBHINNUFBEP-CVEARBPZSA-N 2 0 334.439 1.870 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000609133450 449964829 /nfs/dbraw/zinc/96/48/29/449964829.db2.gz HQCLEMNGVRLIQF-UHFFFAOYSA-N 2 0 326.485 1.663 20 0 EDADRP CO[C@H](C(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCC1 ZINC000613004975 449980622 /nfs/dbraw/zinc/98/06/22/449980622.db2.gz JHFJGGIGOYNABC-WFFDWFOESA-N 2 0 335.492 1.571 20 0 EDADRP COC(=O)C[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000609625420 450074994 /nfs/dbraw/zinc/07/49/94/450074994.db2.gz JTCVGFBRSGDAAK-MRXNPFEDSA-N 2 0 339.480 1.393 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000613284892 450117909 /nfs/dbraw/zinc/11/79/09/450117909.db2.gz JPCZFGCRTQPWOU-LJQANCHMSA-N 2 0 347.503 1.636 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CCCCC1 ZINC000620479392 450499032 /nfs/dbraw/zinc/49/90/32/450499032.db2.gz UMTWMYDJGCZQSM-KRWDZBQOSA-N 2 0 337.508 1.556 20 0 EDADRP COc1ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc1OC1CC1 ZINC000623408863 450517246 /nfs/dbraw/zinc/51/72/46/450517246.db2.gz HHNPKSJMXWMGBM-OAHLLOKOSA-N 2 0 333.476 1.962 20 0 EDADRP CC(C)C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCC[NH+](C)C ZINC000623475594 450527891 /nfs/dbraw/zinc/52/78/91/450527891.db2.gz UAKUJIRUKTVNCH-HOTGVXAUSA-N 2 0 326.529 1.541 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000625892084 450529551 /nfs/dbraw/zinc/52/95/51/450529551.db2.gz BBTZDMYKZUPFRC-QGZVFWFLSA-N 2 0 334.464 1.935 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cn(-c2ccc(F)cc2)nn1 ZINC000623494897 450532090 /nfs/dbraw/zinc/53/20/90/450532090.db2.gz IFYTZZDSENUKSP-HNNXBMFYSA-N 2 0 346.454 1.522 20 0 EDADRP NC(=O)[C@@H]1CCCN1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000623617921 450552268 /nfs/dbraw/zinc/55/22/68/450552268.db2.gz VVVYMYJBZREKGT-SFHVURJKSA-N 2 0 341.459 1.361 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)CC1(C)C ZINC000623650551 450559716 /nfs/dbraw/zinc/55/97/16/450559716.db2.gz MCCSQUVLDZTYQS-UONOGXRCSA-N 2 0 329.452 1.165 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000621154704 450604070 /nfs/dbraw/zinc/60/40/70/450604070.db2.gz QMWHEEZQRMYKJP-IBGZPJMESA-N 2 0 344.503 1.655 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635056835 450610848 /nfs/dbraw/zinc/61/08/48/450610848.db2.gz LJVQUROGTGZVKI-UHFFFAOYSA-N 2 0 347.463 1.375 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)c1 ZINC000627310816 450639912 /nfs/dbraw/zinc/63/99/12/450639912.db2.gz DAMJIUQZYYBGFX-PBHICJAKSA-N 2 0 346.475 1.011 20 0 EDADRP COc1cc(Br)c(C[NH2+]CCOCCC[NH3+])cc1O ZINC000629398567 450648802 /nfs/dbraw/zinc/64/88/02/450648802.db2.gz VEQCYOJJJJURKT-UHFFFAOYSA-N 2 0 333.226 1.618 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627332498 450654791 /nfs/dbraw/zinc/65/47/91/450654791.db2.gz BHTOVMXJJBFLQS-OWCLPIDISA-N 2 0 338.496 1.014 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N[C@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000633080548 450667219 /nfs/dbraw/zinc/66/72/19/450667219.db2.gz CVWHPKUZBRXCOR-ROUUACIJSA-N 2 0 330.476 1.963 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000629553888 450733653 /nfs/dbraw/zinc/73/36/53/450733653.db2.gz DCMLWQRQZDQGAU-ZWKOTPCHSA-N 2 0 332.492 1.335 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCc3cccc(C[NH3+])c32)CC1 ZINC000629561407 450736041 /nfs/dbraw/zinc/73/60/41/450736041.db2.gz UHRIUKXZLVUKKS-UHFFFAOYSA-N 2 0 344.503 1.887 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@H]1CCCN(c2ccc(F)cc2C)C1=O ZINC000629570589 450742738 /nfs/dbraw/zinc/74/27/38/450742738.db2.gz DOQQEQZQAHCGHD-KRWDZBQOSA-N 2 0 337.439 1.797 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000633266307 450765593 /nfs/dbraw/zinc/76/55/93/450765593.db2.gz QNXVOXWVASXPPI-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1F ZINC000631840508 450809313 /nfs/dbraw/zinc/80/93/13/450809313.db2.gz CPUGTGBXJRXQJK-VNHYZAJKSA-N 2 0 337.439 1.708 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(OC)ns1 ZINC000621820906 450878430 /nfs/dbraw/zinc/87/84/30/450878430.db2.gz JULZFNKZAVRGOO-CYBMUJFWSA-N 2 0 340.493 1.640 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000629914416 450883332 /nfs/dbraw/zinc/88/33/32/450883332.db2.gz SMTJGESHFIWFHL-ROUUACIJSA-N 2 0 331.460 1.224 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631962206 450919448 /nfs/dbraw/zinc/91/94/48/450919448.db2.gz FNSRLPWIXPKWLK-INIZCTEOSA-N 2 0 331.526 1.656 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000632016885 450971329 /nfs/dbraw/zinc/97/13/29/450971329.db2.gz GLNMVJSVXOORHI-MRXNPFEDSA-N 2 0 329.510 1.220 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(c3ccc(F)cc3C(N)=O)CC2)CC[NH2+]1 ZINC000622004996 450983324 /nfs/dbraw/zinc/98/33/24/450983324.db2.gz XMAWGNLUKJVEAM-KGLIPLIRSA-N 2 0 334.439 1.435 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000635492185 450987555 /nfs/dbraw/zinc/98/75/55/450987555.db2.gz VULYSSUHSZXICG-IEBWSBKVSA-N 2 0 344.503 1.433 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632046520 450997660 /nfs/dbraw/zinc/99/76/60/450997660.db2.gz MQXOTNQRAFHVIF-MRXNPFEDSA-N 2 0 331.526 1.466 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCOCC1 ZINC000626932781 451015357 /nfs/dbraw/zinc/01/53/57/451015357.db2.gz KXCDSNXQZWEGIG-UHFFFAOYSA-N 2 0 346.475 1.590 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000626933205 451015734 /nfs/dbraw/zinc/01/57/34/451015734.db2.gz RIHMMMIQSGNXCP-UHFFFAOYSA-N 2 0 334.464 1.447 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937124 451018419 /nfs/dbraw/zinc/01/84/19/451018419.db2.gz QKBKJESMNKOUEC-IYBDPMFKSA-N 2 0 340.512 1.552 20 0 EDADRP COc1ccc([C@H](CNC(=O)N2C[C@H]([NH3+])C[C@H]2C)[NH+]2CCCC2)cc1 ZINC000635527932 451024788 /nfs/dbraw/zinc/02/47/88/451024788.db2.gz XWVXGGSCNOVEBQ-KYJSFNMBSA-N 2 0 346.475 1.963 20 0 EDADRP CCN(CC[NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000626970841 451042367 /nfs/dbraw/zinc/04/23/67/451042367.db2.gz VQPWQCTWZWASRI-UHFFFAOYSA-N 2 0 334.464 1.134 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCSC1 ZINC000626992752 451058596 /nfs/dbraw/zinc/05/85/96/451058596.db2.gz DIFUMVKCSBGBBF-XHSDSOJGSA-N 2 0 326.510 1.065 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000622144321 451065202 /nfs/dbraw/zinc/06/52/02/451065202.db2.gz VISQOTNNXVXAPE-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000632150972 451076122 /nfs/dbraw/zinc/07/61/22/451076122.db2.gz TZMBMGFGAWLROZ-HOTGVXAUSA-N 2 0 325.478 1.303 20 0 EDADRP CCO[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C(C)C ZINC000624951789 451076615 /nfs/dbraw/zinc/07/66/15/451076615.db2.gz QEYPPMKLOBCIDU-GOSISDBHSA-N 2 0 348.491 1.771 20 0 EDADRP O=C(NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)N[C@@H]1CC[NH2+]C1 ZINC000627023527 451087854 /nfs/dbraw/zinc/08/78/54/451087854.db2.gz WQCNPSDHTCFLMJ-PNESKVBLSA-N 2 0 334.386 1.453 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000627033367 451091434 /nfs/dbraw/zinc/09/14/34/451091434.db2.gz HYOALZAMQOFZDH-RDJZCZTQSA-N 2 0 336.480 1.521 20 0 EDADRP C[C@]1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)CCC[NH2+]C1 ZINC000627082884 451115807 /nfs/dbraw/zinc/11/58/07/451115807.db2.gz CDZZITQPGPZUNH-DYEKYZERSA-N 2 0 336.402 1.545 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000627088107 451119514 /nfs/dbraw/zinc/11/95/14/451119514.db2.gz FPBWQFUGUAQLFE-JHJVBQTASA-N 2 0 336.402 1.673 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[C@@H]1C(F)(F)F ZINC000627126323 451139723 /nfs/dbraw/zinc/13/97/23/451139723.db2.gz DLDZROPVZAXOSQ-WOPDTQHZSA-N 2 0 334.386 1.440 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133808 451142509 /nfs/dbraw/zinc/14/25/09/451142509.db2.gz TZVHUBOVCFCKGC-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000627176451 451165851 /nfs/dbraw/zinc/16/58/51/451165851.db2.gz UZJTVIRJCINXEU-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(N1CC[C@@H](OCC[NH+]2CCCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000635682627 451166197 /nfs/dbraw/zinc/16/61/97/451166197.db2.gz WNFXCYWJURREDN-GOSISDBHSA-N 2 0 349.519 1.966 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2([NH+](C)C)CCCCCC2)cn1 ZINC000630518847 451230006 /nfs/dbraw/zinc/23/00/06/451230006.db2.gz WQYAWVSDNFAMJP-UHFFFAOYSA-N 2 0 335.496 1.829 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000635716541 451194728 /nfs/dbraw/zinc/19/47/28/451194728.db2.gz TXPSWFOVVNSEIZ-QGZVFWFLSA-N 2 0 336.524 1.345 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)c3cnc(C[NH3+])nc3)CCCC2)CC1 ZINC000638106943 451274935 /nfs/dbraw/zinc/27/49/35/451274935.db2.gz AAKSHGBEOWXIJP-UHFFFAOYSA-N 2 0 347.463 1.089 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638108172 451276191 /nfs/dbraw/zinc/27/61/91/451276191.db2.gz MBOXSYVINFKKAY-KRWDZBQOSA-N 2 0 348.491 1.358 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638127321 451298848 /nfs/dbraw/zinc/29/88/48/451298848.db2.gz CETNUONWIVZFQR-RBUKOAKNSA-N 2 0 346.519 1.636 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@H]1Cc2cncn2C1 ZINC000636556065 451298876 /nfs/dbraw/zinc/29/88/76/451298876.db2.gz MFMFOCJYXHTOEV-KRWDZBQOSA-N 2 0 339.443 1.555 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000635863113 451309697 /nfs/dbraw/zinc/30/96/97/451309697.db2.gz VIHIVNBUBIDNBE-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)CC1 ZINC000636578169 451319406 /nfs/dbraw/zinc/31/94/06/451319406.db2.gz DQJJCSFZLNXHTB-RHSMWYFYSA-N 2 0 346.479 1.898 20 0 EDADRP C[NH+](C)CC1(C(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000635877988 451324509 /nfs/dbraw/zinc/32/45/09/451324509.db2.gz QNYAHYYKBRGMNT-HDICACEKSA-N 2 0 327.472 1.919 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638201577 451352637 /nfs/dbraw/zinc/35/26/37/451352637.db2.gz DAKYRJBORPMPGD-SJLPKXTDSA-N 2 0 344.503 1.484 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)CC[NH2+]1 ZINC000638210721 451357188 /nfs/dbraw/zinc/35/71/88/451357188.db2.gz MCSIXKRRHOBZGD-TZMCWYRMSA-N 2 0 345.447 1.174 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000632513675 451358481 /nfs/dbraw/zinc/35/84/81/451358481.db2.gz KRFLKFIMWOAVCS-QGZVFWFLSA-N 2 0 339.505 1.522 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638213782 451358641 /nfs/dbraw/zinc/35/86/41/451358641.db2.gz OZMHMBTYWDRUHG-KPFFTGBYSA-N 2 0 345.487 1.639 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(CC[NH3+])CCc2ccccc2)c1 ZINC000638224120 451365629 /nfs/dbraw/zinc/36/56/29/451365629.db2.gz UXLCXUOXEDRWNU-LJQANCHMSA-N 2 0 341.455 1.595 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000638243123 451377302 /nfs/dbraw/zinc/37/73/02/451377302.db2.gz YLJHHBOWSSSQPJ-UHFFFAOYSA-N 2 0 333.432 1.466 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000638257036 451382480 /nfs/dbraw/zinc/38/24/80/451382480.db2.gz ZYVJCHIKVBOZLX-UWWQBHOKSA-N 2 0 333.451 1.977 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccccc2Cn2cncn2)CC1 ZINC000638271524 451390564 /nfs/dbraw/zinc/39/05/64/451390564.db2.gz RKBGKBVLQIBVIV-UHFFFAOYSA-N 2 0 343.475 1.651 20 0 EDADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCOCC1 ZINC000638184631 451344986 /nfs/dbraw/zinc/34/49/86/451344986.db2.gz ZGEMSGFGURBNSP-XMTFNYHQSA-N 2 0 326.481 1.612 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638288028 451405033 /nfs/dbraw/zinc/40/50/33/451405033.db2.gz YVHOGVHVJSLKFA-BPQIPLTHSA-N 2 0 332.492 1.244 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)c2)CC1 ZINC000638302925 451417659 /nfs/dbraw/zinc/41/76/59/451417659.db2.gz LPZHAGPUQZICIR-LJQANCHMSA-N 2 0 346.475 1.534 20 0 EDADRP C[C@@H]1CN(CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)[C@@H](C)CO1 ZINC000640576513 451420374 /nfs/dbraw/zinc/42/03/74/451420374.db2.gz WEAYLYPPLAYKAN-UONOGXRCSA-N 2 0 335.452 1.374 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638367731 451464605 /nfs/dbraw/zinc/46/46/05/451464605.db2.gz GRGBRNOFSCAWJD-RYUDHWBXSA-N 2 0 333.436 1.159 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)CN1CC[NH2+]CC1 ZINC000638378383 451473672 /nfs/dbraw/zinc/47/36/72/451473672.db2.gz OMJIQULAEYIISF-UHFFFAOYSA-N 2 0 345.491 1.052 20 0 EDADRP O=C1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCCN1 ZINC000638386886 451479367 /nfs/dbraw/zinc/47/93/67/451479367.db2.gz SBVMLPDIMSHPNR-SFHVURJKSA-N 2 0 344.503 1.847 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000638342165 451445955 /nfs/dbraw/zinc/44/59/55/451445955.db2.gz MKKAIYFMJOWFNT-JQHSSLGASA-N 2 0 347.459 1.440 20 0 EDADRP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000638347124 451448880 /nfs/dbraw/zinc/44/88/80/451448880.db2.gz LLPFNWIEBDYLKG-WBVHZDCISA-N 2 0 345.491 1.370 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=CC[C@@H]([NH3+])C2)cc1 ZINC000638413305 451499560 /nfs/dbraw/zinc/49/95/60/451499560.db2.gz SEBLUTMPSFYHNJ-NJAFHUGGSA-N 2 0 329.444 1.695 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000638432957 451512252 /nfs/dbraw/zinc/51/22/52/451512252.db2.gz OCWPCBLKEOUBJL-QZTJIDSGSA-N 2 0 349.475 1.134 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000638435111 451513909 /nfs/dbraw/zinc/51/39/09/451513909.db2.gz BHKLMCLXQLJYPH-HKUYNNGSSA-N 2 0 345.487 1.803 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000638526750 451558631 /nfs/dbraw/zinc/55/86/31/451558631.db2.gz PAPYCQBJTCLTBV-CQSZACIVSA-N 2 0 332.448 1.306 20 0 EDADRP CO[C@](C)(C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C1CC1 ZINC000638529130 451561263 /nfs/dbraw/zinc/56/12/63/451561263.db2.gz FANGCAJQFFVKJJ-LJQANCHMSA-N 2 0 347.507 1.784 20 0 EDADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631064145 451563246 /nfs/dbraw/zinc/56/32/46/451563246.db2.gz KQYFKHKDPMHLGA-UHFFFAOYSA-N 2 0 345.896 1.809 20 0 EDADRP C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@H]1CCC[NH2+]C1 ZINC000638550580 451572071 /nfs/dbraw/zinc/57/20/71/451572071.db2.gz SFLCSAIRANNJGY-RFGFWPKPSA-N 2 0 335.414 1.998 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)CC1 ZINC000632892349 451635595 /nfs/dbraw/zinc/63/55/95/451635595.db2.gz YSYCWSSXXHFMMT-GJZGRUSLSA-N 2 0 331.464 1.782 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCCOCCC[NH3+])c1ccc(Br)cc1 ZINC000638663630 451639676 /nfs/dbraw/zinc/63/96/76/451639676.db2.gz QTDMUHSILNLPQV-AWEZNQCLSA-N 2 0 344.253 1.105 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@@H]3CC[NH2+]CC(C)(C)C3)n2)CC1 ZINC000632940865 451661713 /nfs/dbraw/zinc/66/17/13/451661713.db2.gz RIQCHTINPTTYBU-CQSZACIVSA-N 2 0 348.495 2.050 20 0 EDADRP [NH3+][C@@H](CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1)Cc1ccccc1 ZINC000638879294 451717373 /nfs/dbraw/zinc/71/73/73/451717373.db2.gz GIAMHPSRRZWNHM-ZFWWWQNUSA-N 2 0 329.366 1.605 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032460 451689328 /nfs/dbraw/zinc/68/93/28/451689328.db2.gz AYOPMUVLEYGUNA-HLLBOEOZSA-N 2 0 338.496 1.005 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)cn1 ZINC000638881516 451718048 /nfs/dbraw/zinc/71/80/48/451718048.db2.gz WAYKHMDXMFEHKP-QGZVFWFLSA-N 2 0 329.448 1.135 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638790701 451693399 /nfs/dbraw/zinc/69/33/99/451693399.db2.gz MCSCOEZYTFNNMT-OAHLLOKOSA-N 2 0 332.448 1.378 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000638856936 451711961 /nfs/dbraw/zinc/71/19/61/451711961.db2.gz WJTQULSFLHFDFP-JQHSSLGASA-N 2 0 333.476 1.623 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+]([C@@H]3CCN(C)C3=O)CC2)cc1 ZINC000638856978 451712017 /nfs/dbraw/zinc/71/20/17/451712017.db2.gz VQVHMWNSUCIUOQ-CXAGYDPISA-N 2 0 344.459 1.131 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000638858238 451713222 /nfs/dbraw/zinc/71/32/22/451713222.db2.gz ZHIBOGBNEZHWJI-NFBUACBFSA-N 2 0 345.487 1.638 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000638861980 451713808 /nfs/dbraw/zinc/71/38/08/451713808.db2.gz JCICDDTVHXLGMC-HNNXBMFYSA-N 2 0 325.522 1.949 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCc3ccc(C[NH3+])cc3)cn2)CC1 ZINC000632961042 451670471 /nfs/dbraw/zinc/67/04/71/451670471.db2.gz NKZYCLOWVARZNA-UHFFFAOYSA-N 2 0 342.447 1.930 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000637151127 451741389 /nfs/dbraw/zinc/74/13/89/451741389.db2.gz XPJDZCIHTUPMPA-BPQIPLTHSA-N 2 0 346.475 1.015 20 0 EDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000639024443 451753858 /nfs/dbraw/zinc/75/38/58/451753858.db2.gz ORVKJYLKCGYCBZ-GXTWGEPZSA-N 2 0 325.416 1.264 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC[NH2+]C1CC1 ZINC000637330327 451790809 /nfs/dbraw/zinc/79/08/09/451790809.db2.gz UTQJJIIUMRUMIF-UHFFFAOYSA-N 2 0 340.418 1.790 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@]3(OC)CCOC3)CC2)CC1 ZINC000639277370 451803049 /nfs/dbraw/zinc/80/30/49/451803049.db2.gz VEADEXROUGMITK-GOSISDBHSA-N 2 0 325.497 1.284 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000642113224 451823744 /nfs/dbraw/zinc/82/37/44/451823744.db2.gz MHCYALXMNJVLTF-RDJZCZTQSA-N 2 0 346.475 1.039 20 0 EDADRP OCCCCOc1ccccc1CN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000639331750 451830821 /nfs/dbraw/zinc/83/08/21/451830821.db2.gz YTWINPCGZIEKTI-IBGZPJMESA-N 2 0 348.487 1.869 20 0 EDADRP COc1cc2[nH+]ccc(N3CC([N@@H+]4CC[C@@H](O)C4)C3)c2cc1OC ZINC000651449234 451835255 /nfs/dbraw/zinc/83/52/55/451835255.db2.gz FTXFMJGUEINAKU-CYBMUJFWSA-N 2 0 329.400 1.507 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCC(=O)Nc1ccccc1 ZINC000644525618 451841512 /nfs/dbraw/zinc/84/15/12/451841512.db2.gz KMITWQGHMHSMLY-SFHVURJKSA-N 2 0 327.428 1.708 20 0 EDADRP C[C@H](CNc1nc2c(ncnc2NC[C@@H](C)[NH+](C)C)s1)[NH+](C)C ZINC000641313261 451835854 /nfs/dbraw/zinc/83/58/54/451835854.db2.gz MSLNGPDPBRLKNN-GHMZBOCLSA-N 2 0 337.497 1.810 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCC(C)(C)N3CCOCC3)c2)CC1 ZINC000639382456 451859055 /nfs/dbraw/zinc/85/90/55/451859055.db2.gz QGDBYGXLYCNMPR-UHFFFAOYSA-N 2 0 333.480 1.356 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639452535 451874991 /nfs/dbraw/zinc/87/49/91/451874991.db2.gz DLZUMLTZZCWGDY-FUHWJXTLSA-N 2 0 339.524 1.972 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCCC1 ZINC000649278037 451950067 /nfs/dbraw/zinc/95/00/67/451950067.db2.gz HFSWLSVUJFTAGS-MXASKKJJSA-N 2 0 329.444 1.699 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CCSC1 ZINC000649296440 451973077 /nfs/dbraw/zinc/97/30/77/451973077.db2.gz GAMXVVIJFSQYEC-HIFRSBDPSA-N 2 0 327.881 1.893 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[NH2+]CCOC1 ZINC000649308867 451986269 /nfs/dbraw/zinc/98/62/69/451986269.db2.gz DIKZHSNGLDTSBC-GJZGRUSLSA-N 2 0 337.489 1.312 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)cc1 ZINC000649308836 451986564 /nfs/dbraw/zinc/98/65/64/451986564.db2.gz APUUVNYUDKBBTE-BWTSREIZSA-N 2 0 343.471 1.489 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CCC[NH2+]1 ZINC000649321887 452002164 /nfs/dbraw/zinc/00/21/64/452002164.db2.gz SYJAHHKXOGWMKV-POAQFYNOSA-N 2 0 345.487 1.924 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCC[N@H+]3CC=CCC3)cn2)CC1 ZINC000637663476 452006341 /nfs/dbraw/zinc/00/63/41/452006341.db2.gz DRCATMHOAYVVJL-UHFFFAOYSA-N 2 0 332.452 1.533 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637666462 452008428 /nfs/dbraw/zinc/00/84/28/452008428.db2.gz CNYUXYXGLLZHHV-UHFFFAOYSA-N 2 0 334.468 1.709 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)CC1 ZINC000637668663 452009813 /nfs/dbraw/zinc/00/98/13/452009813.db2.gz MGEXEEQJTMKVEE-UHFFFAOYSA-N 2 0 348.495 1.955 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649331935 452012772 /nfs/dbraw/zinc/01/27/72/452012772.db2.gz IQROPNHTGHHBHS-ZWKOTPCHSA-N 2 0 331.460 1.203 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cnn1C ZINC000649341124 452021561 /nfs/dbraw/zinc/02/15/61/452021561.db2.gz OIXSRVILNYERSX-IMJJTQAJSA-N 2 0 335.496 1.124 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000649350492 452033805 /nfs/dbraw/zinc/03/38/05/452033805.db2.gz IEUGDGASUYBQTE-PIIMJCKOSA-N 2 0 328.460 1.228 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000649351775 452036054 /nfs/dbraw/zinc/03/60/54/452036054.db2.gz RDXDIKFQIIBCOS-GFCCVEGCSA-N 2 0 339.390 1.017 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)C3CCC([NH3+])CC3)CC2)nc1 ZINC000649374353 452049279 /nfs/dbraw/zinc/04/92/79/452049279.db2.gz QJAQREQAMFPIET-UHFFFAOYSA-N 2 0 345.491 1.309 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000649374048 452049393 /nfs/dbraw/zinc/04/93/93/452049393.db2.gz JZAHIKZXDXUESK-MRXNPFEDSA-N 2 0 333.480 1.165 20 0 EDADRP c1nnc2ccc(N3CC[NH+](CCCC4CC[NH2+]CC4)CC3)nn12 ZINC000649412517 452076014 /nfs/dbraw/zinc/07/60/14/452076014.db2.gz QMKJXGOQZFZTSO-UHFFFAOYSA-N 2 0 329.452 1.026 20 0 EDADRP C[C@H](c1ccncc1)[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420766 452083285 /nfs/dbraw/zinc/08/32/85/452083285.db2.gz RKOQQGGZZDXAHY-XOKHGSTOSA-N 2 0 329.448 1.363 20 0 EDADRP [NH3+]C1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC1 ZINC000637797879 452087669 /nfs/dbraw/zinc/08/76/69/452087669.db2.gz GVMLUHWSSDDAMH-AZUAARDMSA-N 2 0 343.471 1.475 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000637804687 452092657 /nfs/dbraw/zinc/09/26/57/452092657.db2.gz SABUIZOOJXWYCT-GOSISDBHSA-N 2 0 339.439 1.700 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827231 452103957 /nfs/dbraw/zinc/10/39/57/452103957.db2.gz OBMNNLGGZGUKKP-NLWGTHIKSA-N 2 0 343.471 1.393 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639763459 452103974 /nfs/dbraw/zinc/10/39/74/452103974.db2.gz QSMIDBWCGGUKBH-WOJBJXKFSA-N 2 0 347.503 1.012 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+](CCN1CCOCC1)[C@@H]1CCSC1 ZINC000639776801 452121572 /nfs/dbraw/zinc/12/15/72/452121572.db2.gz RVVIUBWUXGLDSG-IAGOWNOFSA-N 2 0 327.538 1.610 20 0 EDADRP COc1cccc([C@H](CNc2nc(N)[nH+]c3c2CCCC3)[NH+](C)C)c1 ZINC000645097247 452149938 /nfs/dbraw/zinc/14/99/38/452149938.db2.gz VYIYHRNDKFPUHY-KRWDZBQOSA-N 2 0 341.459 2.083 20 0 EDADRP O=S(=O)(Nc1ccccc1)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000647538264 452270917 /nfs/dbraw/zinc/27/09/17/452270917.db2.gz KMOGYQMAGRXKKM-QGZVFWFLSA-N 2 0 337.489 1.892 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[C@H]1F ZINC000659440772 452289176 /nfs/dbraw/zinc/28/91/76/452289176.db2.gz YDBXKGVONZGMFR-HZPDHXFCSA-N 2 0 335.427 1.127 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535787 452301017 /nfs/dbraw/zinc/30/10/17/452301017.db2.gz JJUXJQKKGFDEHK-AAEUAGOBSA-N 2 0 340.265 1.731 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659453274 452302784 /nfs/dbraw/zinc/30/27/84/452302784.db2.gz IVBBQSBWLVPJOW-RRFJBIMHSA-N 2 0 328.476 1.968 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC(C)(C)[NH3+])[C@@H](C)C1 ZINC000659456183 452308614 /nfs/dbraw/zinc/30/86/14/452308614.db2.gz IZLFRJXARVKZAQ-LSDHHAIUSA-N 2 0 328.501 1.502 20 0 EDADRP CCN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CC[N@H+](C)C1 ZINC000663585243 452310259 /nfs/dbraw/zinc/31/02/59/452310259.db2.gz FUDLCIBCONDHDY-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N1CC[C@@]2(CCOC2)C1 ZINC000665759491 452327915 /nfs/dbraw/zinc/32/79/15/452327915.db2.gz ITZZJAOQEKWTBO-DOTOQJQBSA-N 2 0 326.485 1.080 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)cc1 ZINC000638056453 452342035 /nfs/dbraw/zinc/34/20/35/452342035.db2.gz YYICYWBWGHGIGB-PKOBYXMFSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1N1CCOCC1 ZINC000657573647 452342983 /nfs/dbraw/zinc/34/29/83/452342983.db2.gz NIMAXNLZUWJJQU-SFHVURJKSA-N 2 0 348.535 1.885 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC[N@@H+]2CCCC[C@@H]2CC)C[C@H]1C[NH3+] ZINC000652154829 452346869 /nfs/dbraw/zinc/34/68/69/452346869.db2.gz PLABEXQDQLORDX-OWCLPIDISA-N 2 0 326.485 1.256 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)Cc1ccccc1 ZINC000638062938 452358484 /nfs/dbraw/zinc/35/84/84/452358484.db2.gz AMIFIBJITODGLR-QUCCMNQESA-N 2 0 347.503 1.811 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638064819 452365181 /nfs/dbraw/zinc/36/51/81/452365181.db2.gz YBLVXBICMXBFTL-UHFFFAOYSA-N 2 0 339.443 1.638 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638066338 452369338 /nfs/dbraw/zinc/36/93/38/452369338.db2.gz GSFSODWNQRKFFO-SFHVURJKSA-N 2 0 332.492 1.246 20 0 EDADRP CC[C@H](CNC(=O)c1cnc(C[NH3+])nc1)[N@@H+]1CCc2ccccc2C1 ZINC000638069575 452373792 /nfs/dbraw/zinc/37/37/92/452373792.db2.gz QOWXULKSTNEMCU-QGZVFWFLSA-N 2 0 339.443 1.502 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC(C)(C)[NH3+])cc1 ZINC000659520722 452384442 /nfs/dbraw/zinc/38/44/42/452384442.db2.gz MGGONKKEZIRSQK-HOTGVXAUSA-N 2 0 334.464 1.567 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000638075153 452387404 /nfs/dbraw/zinc/38/74/04/452387404.db2.gz GORAPTHDPJXPME-IEBWSBKVSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659536258 452396537 /nfs/dbraw/zinc/39/65/37/452396537.db2.gz HDZVNLWAWOFUMA-BASLNEPJSA-N 2 0 334.439 1.568 20 0 EDADRP CCN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000638080239 452396857 /nfs/dbraw/zinc/39/68/57/452396857.db2.gz SXRQMYWTJPIACC-PKOBYXMFSA-N 2 0 344.503 1.576 20 0 EDADRP CC[N@H+](CCCNC(=O)NCCN1CC[NH2+]CC1)C1CCCCC1 ZINC000652201538 452398581 /nfs/dbraw/zinc/39/85/81/452398581.db2.gz IQZSQIJOSNPOIS-UHFFFAOYSA-N 2 0 339.528 1.236 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CS1(=O)=O ZINC000657635900 452409418 /nfs/dbraw/zinc/40/94/18/452409418.db2.gz AHIRTTKIXRLOLR-ZBFHGGJFSA-N 2 0 340.489 1.682 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCC3=CC[NH2+]CC3)C2)C1 ZINC000652217789 452412339 /nfs/dbraw/zinc/41/23/39/452412339.db2.gz JBEZOEQUQAYHKW-BRWVUGGUSA-N 2 0 336.480 1.224 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000652225112 452417145 /nfs/dbraw/zinc/41/71/45/452417145.db2.gz QHGGMCRGPNZCST-INIZCTEOSA-N 2 0 340.512 1.361 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581330 452436603 /nfs/dbraw/zinc/43/66/03/452436603.db2.gz JHUYBRAMXQQIHK-JVLSTEMRSA-N 2 0 326.391 1.399 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)NCc2ccc(C[NH3+])cc2F)C1 ZINC000652274876 452462489 /nfs/dbraw/zinc/46/24/89/452462489.db2.gz XTACEMKPDXFKBF-WBVHZDCISA-N 2 0 334.439 1.910 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc(C[NH3+])cc3F)CC[C@H]21 ZINC000652276212 452463450 /nfs/dbraw/zinc/46/34/50/452463450.db2.gz MDVNIRNOUSQHPN-DOTOQJQBSA-N 2 0 334.439 1.910 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)COCC[NH3+])cc2)C1 ZINC000645526983 452495724 /nfs/dbraw/zinc/49/57/24/452495724.db2.gz SBKHAHCPFMMCAE-HOTGVXAUSA-N 2 0 333.476 1.756 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000655680201 452507358 /nfs/dbraw/zinc/50/73/58/452507358.db2.gz JOKXMGHTACDUCW-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)C1 ZINC000652339784 452510102 /nfs/dbraw/zinc/51/01/02/452510102.db2.gz MLPFWVSYHWTGSE-HXUWFJFHSA-N 3 0 328.504 1.544 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655690064 452513377 /nfs/dbraw/zinc/51/33/77/452513377.db2.gz UDEJWWJUSBSORB-PKOBYXMFSA-N 2 0 338.540 1.245 20 0 EDADRP CC1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652346069 452520614 /nfs/dbraw/zinc/52/06/14/452520614.db2.gz SKGZNVXUYKKUBU-MWOZMSIYSA-N 2 0 337.508 1.900 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647790093 452522901 /nfs/dbraw/zinc/52/29/01/452522901.db2.gz RHCXAFKDBHHTLI-GUDVDZBRSA-N 3 0 344.503 1.456 20 0 EDADRP CCCN(CCC)C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347219 452524042 /nfs/dbraw/zinc/52/40/42/452524042.db2.gz VYJVUUIXTXFYOT-YESZJQIVSA-N 2 0 325.497 1.853 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(N)=O ZINC000647792113 452524477 /nfs/dbraw/zinc/52/44/77/452524477.db2.gz SYEXTTNOBUEJBT-SOUVJXGZSA-N 2 0 333.432 1.037 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000647798073 452528641 /nfs/dbraw/zinc/52/86/41/452528641.db2.gz KVFSRYNQJRKUDY-XLSPSMHOSA-N 2 0 348.487 1.975 20 0 EDADRP Cc1cccc2nc(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cn21 ZINC000647804557 452536654 /nfs/dbraw/zinc/53/66/54/452536654.db2.gz URBNTTXEDPWSBH-OKZBNKHCSA-N 2 0 328.460 1.932 20 0 EDADRP O=C1[C@H]([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CCN1CC(F)(F)F ZINC000655726751 452539167 /nfs/dbraw/zinc/53/91/67/452539167.db2.gz DQVKJZMXLGCQKR-ZIAGYGMSSA-N 2 0 349.397 1.383 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](COC)CC2CCOCC2)CC1 ZINC000657837143 452559805 /nfs/dbraw/zinc/55/98/05/452559805.db2.gz QNVCAXIGBNSKFI-SJLPKXTDSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCCn3ccnc32)(N2CCOCC2)CC1 ZINC000655777240 452571596 /nfs/dbraw/zinc/57/15/96/452571596.db2.gz QKILZTSPWJKEIC-MRXNPFEDSA-N 2 0 333.480 1.104 20 0 EDADRP CN1CCC(CCO)([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000655790862 452582978 /nfs/dbraw/zinc/58/29/78/452582978.db2.gz WFQLNVQRMOZIOV-UHFFFAOYSA-N 2 0 335.492 1.563 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000659699528 452584539 /nfs/dbraw/zinc/58/45/39/452584539.db2.gz WJAMMZNOUZHCIG-MRXNPFEDSA-N 2 0 346.475 1.135 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657881738 452590381 /nfs/dbraw/zinc/59/03/81/452590381.db2.gz YROGIARKRZVAMX-ZWKOTPCHSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2c(nnn2C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000655828119 452599064 /nfs/dbraw/zinc/59/90/64/452599064.db2.gz AKGUDGPOFNMCJB-HOCLYGCPSA-N 2 0 343.475 1.964 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)C1 ZINC000655921765 452683977 /nfs/dbraw/zinc/68/39/77/452683977.db2.gz PNVSTLXWYFLSCO-RYUDHWBXSA-N 2 0 340.390 1.018 20 0 EDADRP COC1([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000658034325 452696554 /nfs/dbraw/zinc/69/65/54/452696554.db2.gz KWGWEBCOSIMTGB-MRXNPFEDSA-N 2 0 325.497 1.330 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1noc2ccccc12 ZINC000655939216 452707919 /nfs/dbraw/zinc/70/79/19/452707919.db2.gz MIDWVJXWNVZORI-AWEZNQCLSA-N 2 0 330.432 1.690 20 0 EDADRP CCN(C(=O)NC[C@H]1CCC[NH+]1CCOC)[C@@H]1CC[N@H+](CC)C1 ZINC000664066296 452760200 /nfs/dbraw/zinc/76/02/00/452760200.db2.gz UGZRSVXDOIBWIC-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664076815 452771787 /nfs/dbraw/zinc/77/17/87/452771787.db2.gz KZEPPGHDFFCEMC-DLBZAZTESA-N 2 0 341.544 1.432 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664077949 452772665 /nfs/dbraw/zinc/77/26/65/452772665.db2.gz VNKVTCDPGHGBBR-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654665458 452778626 /nfs/dbraw/zinc/77/86/26/452778626.db2.gz ISMMUPDRWWDKTI-GASCZTMLSA-N 2 0 347.463 1.262 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000658260263 452815313 /nfs/dbraw/zinc/81/53/13/452815313.db2.gz IAOOHROROMCGLQ-MRXNPFEDSA-N 2 0 346.475 1.676 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119181 452836113 /nfs/dbraw/zinc/83/61/13/452836113.db2.gz XGBNFLFWLQJHTD-OCCSQVGLSA-N 2 0 334.489 1.612 20 0 EDADRP CCN(C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](C)C1 ZINC000658356000 452862073 /nfs/dbraw/zinc/86/20/73/452862073.db2.gz GCJQIIPDDNHNPP-MRXNPFEDSA-N 2 0 332.448 1.239 20 0 EDADRP CCN(C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)[C@@H]1CC[N@H+](C)C1 ZINC000658362592 452874623 /nfs/dbraw/zinc/87/46/23/452874623.db2.gz RUCQDXQXPVLFSN-MRXNPFEDSA-N 2 0 346.475 1.548 20 0 EDADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167943 452878744 /nfs/dbraw/zinc/87/87/44/452878744.db2.gz JUCUUANELNCDTQ-HKUYNNGSSA-N 2 0 339.483 1.958 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@H]1c1cccc(F)c1 ZINC000648177942 452890161 /nfs/dbraw/zinc/89/01/61/452890161.db2.gz COSBMAFWYOXAQZ-ZWKOTPCHSA-N 2 0 339.414 1.575 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000645955476 452934660 /nfs/dbraw/zinc/93/46/60/452934660.db2.gz ZQJQANLJLZWGSH-HNNXBMFYSA-N 2 0 337.508 1.914 20 0 EDADRP COc1cccc2c1OCC[C@H]2[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000656194186 452953064 /nfs/dbraw/zinc/95/30/64/452953064.db2.gz BZGPCCUBLPDZHR-UKRRQHHQSA-N 2 0 333.432 1.306 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)ccc1C[NH+](C)C ZINC000658429753 452960935 /nfs/dbraw/zinc/96/09/35/452960935.db2.gz WFDDHEGBCZLBRT-AWEZNQCLSA-N 2 0 334.464 1.452 20 0 EDADRP C[C@H](CC(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]1CCC[NH2+]C1 ZINC000645977542 452965712 /nfs/dbraw/zinc/96/57/12/452965712.db2.gz GAAWDSAGYPHWLH-IXDOHACOSA-N 2 0 336.524 1.297 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652813607 452972899 /nfs/dbraw/zinc/97/28/99/452972899.db2.gz HPOWIBZEMIWJHG-MOPGFXCFSA-N 2 0 345.487 1.830 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+](C)C)CC1 ZINC000664303095 452981082 /nfs/dbraw/zinc/98/10/82/452981082.db2.gz KVEJLIGBLIMNGH-HNNXBMFYSA-N 2 0 328.501 1.515 20 0 EDADRP CC1CCN(C(=O)C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662254017 452982781 /nfs/dbraw/zinc/98/27/81/452982781.db2.gz YMXYBLLWERRTFS-QGZVFWFLSA-N 2 0 335.492 1.478 20 0 EDADRP CNS(=O)(=O)c1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1 ZINC000662274113 453001530 /nfs/dbraw/zinc/00/15/30/453001530.db2.gz DGMSFBRSJAOTSV-QGZVFWFLSA-N 2 0 337.489 1.559 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295564 453017878 /nfs/dbraw/zinc/01/78/78/453017878.db2.gz GWPCOOOVLRWTOO-KRWDZBQOSA-N 2 0 325.497 1.631 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)sc2n1 ZINC000662297857 453019995 /nfs/dbraw/zinc/01/99/95/453019995.db2.gz SLQFDLBZXRZOFI-CQSZACIVSA-N 2 0 347.488 1.671 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000666665018 453052067 /nfs/dbraw/zinc/05/20/67/453052067.db2.gz RTXJJTZGELIWPS-OAHLLOKOSA-N 2 0 338.496 1.149 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662336722 453053458 /nfs/dbraw/zinc/05/34/58/453053458.db2.gz GCBUVUYMQAERIS-DLBZAZTESA-N 3 0 346.523 1.388 20 0 EDADRP C[C@@H]1CN([C@@H]2C[C@@H]3CCCC[C@H]3NC2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000660156854 453090913 /nfs/dbraw/zinc/09/09/13/453090913.db2.gz SCZJMAIVEAJXSA-MTHXSQLBSA-N 2 0 348.535 1.392 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC[C@H]1c1ccc(F)cc1 ZINC000644161762 453092423 /nfs/dbraw/zinc/09/24/23/453092423.db2.gz CSVQLFCGVLDSIW-RRFJBIMHSA-N 2 0 341.377 1.714 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C[NH2+]C(C)C)CC2)c1 ZINC000662383414 453092765 /nfs/dbraw/zinc/09/27/65/453092765.db2.gz IUBUNDWXPHCLSW-UHFFFAOYSA-N 2 0 332.492 1.621 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662428542 453135149 /nfs/dbraw/zinc/13/51/49/453135149.db2.gz FMLFGYPSIAYTEO-GJZGRUSLSA-N 2 0 333.480 1.871 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)C1 ZINC000662463452 453172400 /nfs/dbraw/zinc/17/24/00/453172400.db2.gz ZXYNRTOPPRVIRA-MRXNPFEDSA-N 2 0 328.460 1.142 20 0 EDADRP [NH3+]Cc1ccc(OCc2cn(CCC[NH+]3CCSCC3)nn2)cc1 ZINC000656450252 453192299 /nfs/dbraw/zinc/19/22/99/453192299.db2.gz PFKNHBZPGJLHJW-UHFFFAOYSA-N 2 0 347.488 1.755 20 0 EDADRP COC1CC[NH+](CCNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CC1 ZINC000646180824 453192596 /nfs/dbraw/zinc/19/25/96/453192596.db2.gz DCTIYDFIVYFUJE-UHFFFAOYSA-N 2 0 331.460 1.215 20 0 EDADRP C[N@@H+]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](Cc3ccccc3)C2)CC1 ZINC000644249996 453198855 /nfs/dbraw/zinc/19/88/55/453198855.db2.gz JYUKLCWLVYWLMI-FQEVSTJZSA-N 2 0 345.487 1.568 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662491254 453207548 /nfs/dbraw/zinc/20/75/48/453207548.db2.gz DFGNLOPLGOZQNG-YJBOKZPZSA-N 2 0 329.444 1.402 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662498611 453214450 /nfs/dbraw/zinc/21/44/50/453214450.db2.gz RMZKSYJWLVGKQK-CQSZACIVSA-N 2 0 334.464 1.849 20 0 EDADRP C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000646213547 453226653 /nfs/dbraw/zinc/22/66/53/453226653.db2.gz YYLDBPCQYCAAEY-CQSZACIVSA-N 2 0 347.463 1.332 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662517676 453237089 /nfs/dbraw/zinc/23/70/89/453237089.db2.gz NYDAOBBFOPUNTQ-HNNXBMFYSA-N 2 0 332.448 1.603 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000662526900 453246812 /nfs/dbraw/zinc/24/68/12/453246812.db2.gz MFOWEBNHAQXFTG-KRWDZBQOSA-N 2 0 326.529 1.387 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]2CCCC2)cc1 ZINC000653105114 453288289 /nfs/dbraw/zinc/28/82/89/453288289.db2.gz GMICRPJZXZCUBG-ZWKOTPCHSA-N 2 0 348.491 1.227 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666973709 453290690 /nfs/dbraw/zinc/29/06/90/453290690.db2.gz YTABWIVNFFZXHE-IAGOWNOFSA-N 2 0 338.496 1.412 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000662573414 453300137 /nfs/dbraw/zinc/30/01/37/453300137.db2.gz BEZQXCNHDUTVCY-XIRDDKMYSA-N 2 0 325.497 1.742 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653152208 453339360 /nfs/dbraw/zinc/33/93/60/453339360.db2.gz FLZYNUCTVOYFFE-ZWKOTPCHSA-N 2 0 328.460 1.945 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000662636246 453351986 /nfs/dbraw/zinc/35/19/86/453351986.db2.gz AJZLDCPVCPHZSJ-YJBOKZPZSA-N 2 0 330.476 1.798 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653183778 453373567 /nfs/dbraw/zinc/37/35/67/453373567.db2.gz JPLFGGIYZHTHDK-MHORFTMASA-N 2 0 331.460 1.821 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000653184195 453374971 /nfs/dbraw/zinc/37/49/71/453374971.db2.gz NPYPBQIDZDAKFP-LKCYJCQHSA-N 2 0 331.460 1.605 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662668051 453382612 /nfs/dbraw/zinc/38/26/12/453382612.db2.gz HHVJZXOZILIBTN-WMZOPIPTSA-N 2 0 345.491 1.944 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662672825 453388546 /nfs/dbraw/zinc/38/85/46/453388546.db2.gz FZNOGRNXLDUEFL-INIZCTEOSA-N 2 0 348.495 1.538 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662673522 453388766 /nfs/dbraw/zinc/38/87/66/453388766.db2.gz MKFFYYZLRLJTTQ-SJORKVTESA-N 2 0 335.448 1.710 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OCCCO2 ZINC000651263701 453405493 /nfs/dbraw/zinc/40/54/93/453405493.db2.gz APNVQOMMYSTUOK-UHFFFAOYSA-N 2 0 335.448 1.413 20 0 EDADRP COc1cc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)ccc1OCC[NH+](C)C ZINC000662693921 453414602 /nfs/dbraw/zinc/41/46/02/453414602.db2.gz VFJJKJVBMKDZIK-QGZVFWFLSA-N 2 0 349.475 1.640 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc3c(c2)C[NH2+]C3)n1 ZINC000667138225 453430311 /nfs/dbraw/zinc/43/03/11/453430311.db2.gz MUPUVUBEVWSWEB-UHFFFAOYSA-N 2 0 328.420 1.370 20 0 EDADRP CCN(C(=O)C(=O)NCCC[NH+](C)CC(C)C)[C@H]1CC[N@H+](CC)C1 ZINC000658820096 453435370 /nfs/dbraw/zinc/43/53/70/453435370.db2.gz CCGBOICFONDNML-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662717925 453441979 /nfs/dbraw/zinc/44/19/79/453441979.db2.gz DVABZGUNBBZGMD-NRSFXHEJSA-N 2 0 331.460 1.520 20 0 EDADRP C[C@@]1(C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]C1 ZINC000656787692 453448201 /nfs/dbraw/zinc/44/82/01/453448201.db2.gz RUEVVWQVAFLBCB-JTDSTZFVSA-N 2 0 327.428 1.103 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662726198 453452502 /nfs/dbraw/zinc/45/25/02/453452502.db2.gz FRHOUVHHRBDMGO-OQIJWPOYSA-N 2 0 345.487 1.862 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667173173 453453144 /nfs/dbraw/zinc/45/31/44/453453144.db2.gz PDYSGSSOXUVTEB-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP Cc1cc(NC(=O)COCC[NH3+])cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000646542132 453461012 /nfs/dbraw/zinc/46/10/12/453461012.db2.gz WCHBGNMUDVLVNO-UHFFFAOYSA-N 2 0 334.464 1.439 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000662741133 453466541 /nfs/dbraw/zinc/46/65/41/453466541.db2.gz CSZFLPDPBNWBFG-SFHVURJKSA-N 2 0 344.503 1.438 20 0 EDADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)n1 ZINC000662748622 453478630 /nfs/dbraw/zinc/47/86/30/453478630.db2.gz CHMGQKIHUYXLBZ-CYBMUJFWSA-N 2 0 335.452 1.335 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000660658112 453494228 /nfs/dbraw/zinc/49/42/28/453494228.db2.gz CIYUWTSZELKAQA-LJQANCHMSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H](NC(=O)CC1([NH3+])CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000662758631 453495415 /nfs/dbraw/zinc/49/54/15/453495415.db2.gz RDNFMURLSYFVCX-CYBMUJFWSA-N 2 0 334.439 1.636 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC1([NH3+])CC1 ZINC000662759020 453498020 /nfs/dbraw/zinc/49/80/20/453498020.db2.gz XWENDTRGBPZTRI-UHFFFAOYSA-N 2 0 332.448 1.657 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444453 453532304 /nfs/dbraw/zinc/53/23/04/453532304.db2.gz WZLJLVKQOFQNLC-IEBWSBKVSA-N 2 0 328.460 1.552 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000660711458 453539745 /nfs/dbraw/zinc/53/97/45/453539745.db2.gz ZWHXOKRHJWHAJC-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000662815847 453547832 /nfs/dbraw/zinc/54/78/32/453547832.db2.gz XVAOMBUHDGFGII-INMHGKMJSA-N 2 0 346.479 1.197 20 0 EDADRP [NH3+]C1(CNC(=O)Cc2cscn2)CC[NH+](Cc2ccccc2)CC1 ZINC000662817300 453548646 /nfs/dbraw/zinc/54/86/46/453548646.db2.gz UAMIHNCOFIODJI-UHFFFAOYSA-N 2 0 344.484 1.795 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1cn([C@H]3CCC[NH2+]CC3)nn1)CC[NH2+]CC2 ZINC000662821212 453551218 /nfs/dbraw/zinc/55/12/18/453551218.db2.gz WYZDSRCBSDKESQ-CABCVRRESA-N 2 0 346.479 1.197 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000662834045 453561578 /nfs/dbraw/zinc/56/15/78/453561578.db2.gz XYXDFFLOMNHZMF-SQNIBIBYSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1c(C(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)nnn1C1CC[NH2+]CC1 ZINC000662838721 453563831 /nfs/dbraw/zinc/56/38/31/453563831.db2.gz NXEFTPRJBDXUOD-JKSUJKDBSA-N 2 0 346.479 1.258 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC[NH2+]1 ZINC000662857689 453574250 /nfs/dbraw/zinc/57/42/50/453574250.db2.gz CEPRJASWEJIAJS-JCGIZDLHSA-N 2 0 331.460 1.258 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000662868549 453580191 /nfs/dbraw/zinc/58/01/91/453580191.db2.gz KLGRZXJYIPGPEV-CGBFIWBNSA-N 2 0 343.471 1.647 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCO1 ZINC000659018325 453582780 /nfs/dbraw/zinc/58/27/80/453582780.db2.gz PEUQGIINMKMTBB-GOSISDBHSA-N 2 0 346.475 1.907 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000659035430 453591718 /nfs/dbraw/zinc/59/17/18/453591718.db2.gz KJONJWXVOOMJDI-ZWKOTPCHSA-N 2 0 342.443 1.826 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659038771 453592991 /nfs/dbraw/zinc/59/29/91/453592991.db2.gz CHLKLEFATKGMQV-IAGOWNOFSA-N 2 0 332.448 1.953 20 0 EDADRP C[C@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000662973009 453631126 /nfs/dbraw/zinc/63/11/26/453631126.db2.gz NXDONPZNYVKIIG-NVXWUHKLSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886709 453631995 /nfs/dbraw/zinc/63/19/95/453631995.db2.gz HAUWYCGVDYBWJK-KDOFPFPSSA-N 2 0 334.508 1.890 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659100280 453632633 /nfs/dbraw/zinc/63/26/33/453632633.db2.gz PMQOSDAYKXRSFK-UHFFFAOYSA-N 2 0 348.447 1.083 20 0 EDADRP CCc1noc(C2CCC([NH2+]Cc3nc(C[NH3+])cc(=O)[nH]3)CC2)n1 ZINC000665293364 453639538 /nfs/dbraw/zinc/63/95/38/453639538.db2.gz ZLJKNJSUOHCSRP-UHFFFAOYSA-N 2 0 332.408 1.402 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)Cc2ccccc2C1 ZINC000659365359 453729784 /nfs/dbraw/zinc/72/97/84/453729784.db2.gz GWEVUIQYVYINQQ-GOSISDBHSA-N 2 0 337.423 1.782 20 0 EDADRP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000657349671 453771813 /nfs/dbraw/zinc/77/18/13/453771813.db2.gz VNLUNVKFRWDRRQ-IAGOWNOFSA-N 2 0 335.492 1.826 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2Cc2nc3c(s2)C[NH2+]CC3)C1 ZINC000663498439 453810499 /nfs/dbraw/zinc/81/04/99/453810499.db2.gz SRCRIYWVDFJTBD-VHDGCEQUSA-N 2 0 336.505 1.650 20 0 EDADRP Nc1ncc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663513736 453813437 /nfs/dbraw/zinc/81/34/37/453813437.db2.gz VRFUMFNLOCVGIF-GFCCVEGCSA-N 2 0 347.492 1.238 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000680328834 486751852 /nfs/dbraw/zinc/75/18/52/486751852.db2.gz IAYHSDVVLMWLGB-RTBURBONSA-N 2 0 341.459 1.607 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000672699748 486768647 /nfs/dbraw/zinc/76/86/47/486768647.db2.gz FLLFCNXVAAFMAC-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC(N3CCNC3=O)CC2)cc1 ZINC000676460555 486774756 /nfs/dbraw/zinc/77/47/56/486774756.db2.gz GIVFDFVQFWILBX-UHFFFAOYSA-N 2 0 346.475 1.617 20 0 EDADRP C[NH2+]CCN(C)C(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417996503 486820730 /nfs/dbraw/zinc/82/07/30/486820730.db2.gz SLRLTJOWABLIGL-ZWKOTPCHSA-N 2 0 346.475 1.834 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000683849796 486839880 /nfs/dbraw/zinc/83/98/80/486839880.db2.gz BQDXVWDNEMEYHT-MSOLQXFVSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000667641687 486894204 /nfs/dbraw/zinc/89/42/04/486894204.db2.gz ZPRGMLQJQBORFV-HZPDHXFCSA-N 2 0 348.495 1.688 20 0 EDADRP CC[NH+]1CCN(c2nccnc2N2CC[N@@H+](CC)[C@H](C)C2)C[C@H]1C ZINC000680959630 486907558 /nfs/dbraw/zinc/90/75/58/486907558.db2.gz INQUNWJNHZGZPA-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@@H]1CCOC1 ZINC000681208997 486973433 /nfs/dbraw/zinc/97/34/33/486973433.db2.gz QUUUBBVEUZBXJR-WMZOPIPTSA-N 2 0 333.476 1.764 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684195540 486979418 /nfs/dbraw/zinc/97/94/18/486979418.db2.gz AYXVFTLKNNWUGN-QGZVFWFLSA-N 2 0 346.523 1.415 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CNc4ccnn4C3)CC2)CC1 ZINC000684201999 486983410 /nfs/dbraw/zinc/98/34/10/486983410.db2.gz ZRSBZMBLHOYJLJ-KRWDZBQOSA-N 2 0 346.523 1.415 20 0 EDADRP CC[NH+]1CCN(c2nc(N3CC[N@@H+](CC)[C@@H](C)C3)ncc2C)C[C@H]1C ZINC000677153821 486987002 /nfs/dbraw/zinc/98/70/02/486987002.db2.gz WIPKSKOGYACEAC-SJORKVTESA-N 2 0 346.523 1.846 20 0 EDADRP CC[N@@H+]1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1C ZINC000677197964 487007145 /nfs/dbraw/zinc/00/71/45/487007145.db2.gz ZHXQGUZTNRTKCG-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000673560092 487061513 /nfs/dbraw/zinc/06/15/13/487061513.db2.gz KVUIQXPATCUDOK-OAHLLOKOSA-N 2 0 349.479 1.163 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000673671102 487085292 /nfs/dbraw/zinc/08/52/92/487085292.db2.gz VWUPZXUXOYZCEV-GOSISDBHSA-N 2 0 344.503 1.609 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000684627527 487120036 /nfs/dbraw/zinc/12/00/36/487120036.db2.gz CSHINBWNASDLQE-UHFFFAOYSA-N 2 0 332.448 1.661 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673862690 487137148 /nfs/dbraw/zinc/13/71/48/487137148.db2.gz PIIFIUDPEQLMNL-CQSZACIVSA-N 2 0 343.435 1.025 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(Cc3ccnn3-c3cc[nH+]cc3)[C@H]2C1 ZINC000668193687 487138162 /nfs/dbraw/zinc/13/81/62/487138162.db2.gz MARBXBJCZOSDAJ-ZWKOTPCHSA-N 2 0 327.432 1.562 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCN1CCC2)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677863560 487184898 /nfs/dbraw/zinc/18/48/98/487184898.db2.gz PRXCGRYPZGCATD-LJQANCHMSA-N 2 0 348.535 1.491 20 0 EDADRP C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044884 487221196 /nfs/dbraw/zinc/22/11/96/487221196.db2.gz RVZMCIPDWLKINU-MAUKXSAKSA-N 2 0 331.460 1.775 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000681926812 487252342 /nfs/dbraw/zinc/25/23/42/487252342.db2.gz YRGWSAULJPVPKY-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000685768305 487320594 /nfs/dbraw/zinc/32/05/94/487320594.db2.gz RUEKZWWDPWPFMF-CYBMUJFWSA-N 2 0 344.419 1.051 20 0 EDADRP C[NH+](C)C1CCN(c2nccnc2N2CCC([NH+](C)C)CC2)CC1 ZINC000679390276 487420508 /nfs/dbraw/zinc/42/05/08/487420508.db2.gz UYWALLIVUWBFFD-UHFFFAOYSA-N 2 0 332.496 1.537 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2nccnc2N2CCC[C@@H]([NH+](C)C)C2)C1 ZINC000679391231 487420960 /nfs/dbraw/zinc/42/09/60/487420960.db2.gz QFXJWKUTZLIYKL-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000669573901 485608994 /nfs/dbraw/zinc/60/89/94/485608994.db2.gz FEQJLHWSBUWPTB-UHFFFAOYSA-N 2 0 348.413 1.843 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCC(C)([NH3+])CC2)c1 ZINC000669139205 485728980 /nfs/dbraw/zinc/72/89/80/485728980.db2.gz IELIYEAROOVGLC-UHFFFAOYSA-N 2 0 334.464 1.650 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)CC1 ZINC000669236500 485846255 /nfs/dbraw/zinc/84/62/55/485846255.db2.gz OGVHCBPCUUBAOF-ARJAWSKDSA-N 2 0 345.491 1.138 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000345443645 485975121 /nfs/dbraw/zinc/97/51/21/485975121.db2.gz ZVJDGKVYDZBYOE-KURKYZTESA-N 2 0 337.508 1.676 20 0 EDADRP OCc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397577408 486059084 /nfs/dbraw/zinc/05/90/84/486059084.db2.gz CXBVEEQAIITSBK-UHFFFAOYSA-N 2 0 330.428 1.889 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn(C3CC[NH2+]CC3)nn2)[C@H](C)C1 ZINC000430798158 486084345 /nfs/dbraw/zinc/08/43/45/486084345.db2.gz SCFLUCLZZAPFTG-CZUORRHYSA-N 2 0 334.468 1.005 20 0 EDADRP CC[C@H]1CN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC[C@H]1[NH3+] ZINC000669469588 486221160 /nfs/dbraw/zinc/22/11/60/486221160.db2.gz ZTHMEAYRFCJHIK-GOEBONIOSA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669474362 486227689 /nfs/dbraw/zinc/22/76/89/486227689.db2.gz GRTXSEUSPJEKPT-XHSDSOJGSA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000669496424 486270632 /nfs/dbraw/zinc/27/06/32/486270632.db2.gz NHECAVRMMAFJBH-QAPCUYQASA-N 2 0 344.503 1.854 20 0 EDADRP C[C@H](NC(=O)NCc1cccc(C[NH+](C)C)c1)[C@H]1CN(C)CCO1 ZINC000133195792 491220112 /nfs/dbraw/zinc/22/01/12/491220112.db2.gz RAGQCGDMNNEKSH-WMLDXEAASA-N 2 0 334.464 1.267 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(-n2cnnn2)c1 ZINC000128235099 491017286 /nfs/dbraw/zinc/01/72/86/491017286.db2.gz XGCUYZGQGWLDOO-MRXNPFEDSA-N 2 0 343.479 1.341 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000168750514 534327955 /nfs/dbraw/zinc/32/79/55/534327955.db2.gz ORDOYXBAJDXUTQ-SFHVURJKSA-N 2 0 348.422 1.152 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000159199559 529147625 /nfs/dbraw/zinc/14/76/25/529147625.db2.gz KYFBRTIGEXAKLT-QGZVFWFLSA-N 2 0 341.544 1.242 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000339318843 536545092 /nfs/dbraw/zinc/54/50/92/536545092.db2.gz RKVNXZJSKCHQBQ-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237195310 536545749 /nfs/dbraw/zinc/54/57/49/536545749.db2.gz BXCNXGATKJWPPY-MAUKXSAKSA-N 2 0 333.476 1.940 20 0 EDADRP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cn1 ZINC000261803703 535025319 /nfs/dbraw/zinc/02/53/19/535025319.db2.gz HEPRNFTZJBBHOA-INIZCTEOSA-N 2 0 333.480 1.213 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)CCC[NH+]1CCCC1)C(C)C ZINC000339611294 535066517 /nfs/dbraw/zinc/06/65/17/535066517.db2.gz DRQZJPQGAKWWOO-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CCC[C@H]([NH3+])C(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000236919922 535677406 /nfs/dbraw/zinc/67/74/06/535677406.db2.gz OLXXLODYYGPFBA-CJNGLKHVSA-N 2 0 336.455 1.882 20 0 EDADRP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C1CC1 ZINC000246299981 535772744 /nfs/dbraw/zinc/77/27/44/535772744.db2.gz PQORCBLYXDWXCR-CRAIPNDOSA-N 2 0 330.476 1.893 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000237187072 535915635 /nfs/dbraw/zinc/91/56/35/535915635.db2.gz ARXDWXQALOWVEZ-INIZCTEOSA-N 2 0 331.460 1.633 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)ccc1=O ZINC000270084068 535935105 /nfs/dbraw/zinc/93/51/05/535935105.db2.gz JEBVCAYFDFOEIV-QGZVFWFLSA-N 2 0 346.475 1.755 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261729177 536373875 /nfs/dbraw/zinc/37/38/75/536373875.db2.gz KTWZECALIRGLQI-HIFRSBDPSA-N 2 0 340.265 1.833 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000246956184 536378111 /nfs/dbraw/zinc/37/81/11/536378111.db2.gz OBEZRAQOOFBICS-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP C[N@H+](CCOc1cccc(CNC(=O)C(C)(C)[NH3+])c1)C1CCOCC1 ZINC000237189582 536400653 /nfs/dbraw/zinc/40/06/53/536400653.db2.gz ZCDOODRCQUJELO-UHFFFAOYSA-N 2 0 349.475 1.530 20 0 EDADRP COc1cc(C)nc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1 ZINC000347144151 536689278 /nfs/dbraw/zinc/68/92/78/536689278.db2.gz XKLFBDLSGHMVFH-OAHLLOKOSA-N 2 0 332.448 1.042 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H](C)C[NH+]2CCCC2)[N@H+](C)C1 ZINC000346661142 536775159 /nfs/dbraw/zinc/77/51/59/536775159.db2.gz ONIYUFSCACYJNW-HRCADAONSA-N 2 0 326.485 1.079 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1 ZINC000347314409 536777240 /nfs/dbraw/zinc/77/72/40/536777240.db2.gz RCYZNEVNARIXJS-ARFHVFGLSA-N 2 0 342.528 1.713 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000339858385 536783934 /nfs/dbraw/zinc/78/39/34/536783934.db2.gz FNSQAHHEWLHOSB-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCCN2CCO[C@H](C)C2)C1 ZINC000729605803 578584373 /nfs/dbraw/zinc/58/43/73/578584373.db2.gz MIPGWNDVVNOKDP-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H](O)c3cccc(F)c3)cn2)CC1 ZINC000729930248 578602671 /nfs/dbraw/zinc/60/26/71/578602671.db2.gz JWJPXUJEBVKIEV-SFHVURJKSA-N 2 0 344.434 1.796 20 0 EDADRP C[NH+](C)[C@H]1Cc2ccccc2N(C(=S)NC2CC[NH+](C)CC2)C1 ZINC000731489641 578675373 /nfs/dbraw/zinc/67/53/73/578675373.db2.gz CPVJGYRESCJXBS-INIZCTEOSA-N 2 0 332.517 1.948 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)CO)CC1 ZINC000731532511 578675793 /nfs/dbraw/zinc/67/57/93/578675793.db2.gz PHBRAUCRWWEMNN-UHFFFAOYSA-N 2 0 333.476 1.436 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCOC1CCC1 ZINC000745906919 579567334 /nfs/dbraw/zinc/56/73/34/579567334.db2.gz TVKXJAYFZQOPEH-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+]1CCC([C@H]2CC[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)C2)CC1 ZINC000755778997 579934828 /nfs/dbraw/zinc/93/48/28/579934828.db2.gz HJKKEEKCGWZFKU-INIZCTEOSA-N 2 0 348.491 1.862 20 0 EDADRP CCC(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000756977269 579961353 /nfs/dbraw/zinc/96/13/53/579961353.db2.gz SMVBPIPCFWBAQI-UHFFFAOYSA-N 2 0 337.439 1.984 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cn1 ZINC000766086494 580158604 /nfs/dbraw/zinc/15/86/04/580158604.db2.gz MAAWQSBDSKAQGE-ZBFHGGJFSA-N 2 0 334.468 1.393 20 0 EDADRP O=C(C[NH2+][C@@H](CCO)C1CC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000771798106 580294292 /nfs/dbraw/zinc/29/42/92/580294292.db2.gz FCPAUBAXQZRIMS-IBGZPJMESA-N 2 0 345.487 1.649 20 0 EDADRP CO[C@H]1Cc2ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2C1 ZINC000784460935 580621403 /nfs/dbraw/zinc/62/14/03/580621403.db2.gz JBLMKZQRRPNOII-SFHVURJKSA-N 2 0 348.491 1.757 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786830338 580680540 /nfs/dbraw/zinc/68/05/40/580680540.db2.gz DFRLEHAYJXKHOQ-HOTGVXAUSA-N 2 0 345.491 1.503 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000799346895 581026221 /nfs/dbraw/zinc/02/62/21/581026221.db2.gz SVFMCRXOCKBRCD-UHFFFAOYSA-N 2 0 344.301 1.298 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000893042532 590631470 /nfs/dbraw/zinc/63/14/70/590631470.db2.gz TZEJOXLWMUFTOV-UHFFFAOYSA-N 2 0 333.432 1.054 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980438 590722034 /nfs/dbraw/zinc/72/20/34/590722034.db2.gz VIBYHTFXQDISSW-ROUUACIJSA-N 2 0 330.476 1.868 20 0 EDADRP C[N@H+](CCCO)C1CCN([C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892045691 590769785 /nfs/dbraw/zinc/76/97/85/590769785.db2.gz ZRYSXGDHQRHIRA-HOTGVXAUSA-N 2 0 330.444 1.399 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000893320811 590777731 /nfs/dbraw/zinc/77/77/31/590777731.db2.gz RVMMJOAZZMGDOQ-HOTGVXAUSA-N 2 0 329.460 1.237 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[NH2+]CCC12CCC2 ZINC000892118797 590809509 /nfs/dbraw/zinc/80/95/09/590809509.db2.gz JARQXUWGCHXXKV-KRWDZBQOSA-N 2 0 328.460 1.801 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000893398074 590843008 /nfs/dbraw/zinc/84/30/08/590843008.db2.gz HNSQUTJWOPPBPT-RDJZCZTQSA-N 2 0 338.496 1.221 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000892211716 590865687 /nfs/dbraw/zinc/86/56/87/590865687.db2.gz LXHROJGFFADYEP-OKZBNKHCSA-N 2 0 330.476 1.505 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892227158 590873312 /nfs/dbraw/zinc/87/33/12/590873312.db2.gz NNHBTLSAQRLZMW-LJQANCHMSA-N 2 0 338.455 1.920 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC1CC[NH2+]CC1 ZINC000892233748 590878416 /nfs/dbraw/zinc/87/84/16/590878416.db2.gz UTWGKRBNMQVFHA-HNNXBMFYSA-N 2 0 331.464 1.691 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCc1cccc3c1CC[NH2+]C3)C2 ZINC000892323136 590944551 /nfs/dbraw/zinc/94/45/51/590944551.db2.gz BUILGFGLFPVOQQ-KDURUIRLSA-N 2 0 328.460 1.473 20 0 EDADRP CN1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)CC[N@H+](C)CC1 ZINC000888985014 590953728 /nfs/dbraw/zinc/95/37/28/590953728.db2.gz ICUSKQPCBLAFQN-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP C[C@@H]1C[C@H](N2CCOCC2)CN1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892384132 591004178 /nfs/dbraw/zinc/00/41/78/591004178.db2.gz OZKKYISETVZWLJ-PMPSAXMXSA-N 2 0 338.496 1.269 20 0 EDADRP [NH3+][C@@H](CCNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000892407915 591015005 /nfs/dbraw/zinc/01/50/05/591015005.db2.gz JAIQXVOLNGAYLF-ROUUACIJSA-N 2 0 348.491 1.093 20 0 EDADRP C[NH+](C)CCC[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000892429887 591025659 /nfs/dbraw/zinc/02/56/59/591025659.db2.gz SYPFRKZWMWATHO-UHFFFAOYSA-N 3 0 328.501 1.517 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000891346624 591052679 /nfs/dbraw/zinc/05/26/79/591052679.db2.gz AKXDCAKUNJCDBS-GOSISDBHSA-N 2 0 330.476 1.958 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000891352974 591056210 /nfs/dbraw/zinc/05/62/10/591056210.db2.gz CMJUOKICSSILHI-CALCHBBNSA-N 2 0 345.491 1.235 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C(F)(F)F ZINC000892586607 591082813 /nfs/dbraw/zinc/08/28/13/591082813.db2.gz VUKPZGXHAXSZAJ-RGDJUOJXSA-N 2 0 348.413 1.686 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@@H]1C(F)(F)F ZINC000892586605 591083030 /nfs/dbraw/zinc/08/30/30/591083030.db2.gz VUKPZGXHAXSZAJ-HPCHECBXSA-N 2 0 348.413 1.686 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)[C@H]1OC ZINC000892596603 591086996 /nfs/dbraw/zinc/08/69/96/591086996.db2.gz QUCOBGMNGINDGP-ZHALLVOQSA-N 2 0 348.491 1.506 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000891508531 591098548 /nfs/dbraw/zinc/09/85/48/591098548.db2.gz NNVAQMYRCZKFIG-KURKYZTESA-N 2 0 330.476 1.588 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000892625986 591101357 /nfs/dbraw/zinc/10/13/57/591101357.db2.gz KFFDYHQTSUOLDY-IXDOHACOSA-N 2 0 346.475 1.928 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891517957 591104216 /nfs/dbraw/zinc/10/42/16/591104216.db2.gz NWZUONKHFRMVFU-MAUKXSAKSA-N 2 0 336.480 1.215 20 0 EDADRP CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@H]1CC[NH2+]C1 ZINC000891529221 591108426 /nfs/dbraw/zinc/10/84/26/591108426.db2.gz QCULTVKKZKGLBX-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891529458 591109075 /nfs/dbraw/zinc/10/90/75/591109075.db2.gz QGZQOVLIJNFVFT-YJBOKZPZSA-N 2 0 338.496 1.460 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538918 591112741 /nfs/dbraw/zinc/11/27/41/591112741.db2.gz WVYJUZAJJIGPRO-HOTGVXAUSA-N 2 0 338.496 1.319 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892687843 591130797 /nfs/dbraw/zinc/13/07/97/591130797.db2.gz YFPBSRNKMFPJGL-DLBZAZTESA-N 2 0 338.496 1.365 20 0 EDADRP Cc1cc(N2CCN(Cc3c(C)ccnc3N)CC2)n2ncnc2n1 ZINC000893939801 591144142 /nfs/dbraw/zinc/14/41/42/591144142.db2.gz HYLBQQXYYXJDIV-UHFFFAOYSA-N 2 0 338.419 1.041 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892758593 591162017 /nfs/dbraw/zinc/16/20/17/591162017.db2.gz KOLDIWJPTABXIL-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000891639015 591162108 /nfs/dbraw/zinc/16/21/08/591162108.db2.gz OWYYXWBBNYEUTO-DLBZAZTESA-N 2 0 342.553 1.830 20 0 EDADRP C[C@@H](NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C(C)(C)C[NH+](C)C ZINC000891663940 591175893 /nfs/dbraw/zinc/17/58/93/591175893.db2.gz DYLLDZZZRXSQKR-CABCVRRESA-N 2 0 340.512 1.421 20 0 EDADRP CCCN(C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)C1CC[NH2+]CC1 ZINC000892788387 591178562 /nfs/dbraw/zinc/17/85/62/591178562.db2.gz DLHYISSNVSXRRA-QGZVFWFLSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)C[N@@H+]1Cc1ccccc1 ZINC000891673247 591179393 /nfs/dbraw/zinc/17/93/93/591179393.db2.gz IPXJOPCFUPSSRP-WOGUSJMUSA-N 2 0 342.487 1.900 20 0 EDADRP CCOC(=O)c1n[nH]c(C2CC[NH+](CC3CC[NH+](C)CC3)CC2)n1 ZINC000894063242 591181530 /nfs/dbraw/zinc/18/15/30/591181530.db2.gz KSFWIXCNFFSZED-UHFFFAOYSA-N 2 0 335.452 1.503 20 0 EDADRP COC(=O)c1c[nH]c(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1C1CC1 ZINC000892927501 591227589 /nfs/dbraw/zinc/22/75/89/591227589.db2.gz FVBRGRZZHFQCNO-CQSZACIVSA-N 2 0 348.491 1.652 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)Cc1ccc(S(N)(=O)=O)o1 ZINC000895682136 591252027 /nfs/dbraw/zinc/25/20/27/591252027.db2.gz BCNNSEZUYIYCDS-UHFFFAOYSA-N 2 0 329.466 1.625 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000893010880 591254902 /nfs/dbraw/zinc/25/49/02/591254902.db2.gz JOQIPRQORKAPBU-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000895818487 591280361 /nfs/dbraw/zinc/28/03/61/591280361.db2.gz QIZIBYYMYLPINO-MRXNPFEDSA-N 2 0 333.432 1.286 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895851545 591287797 /nfs/dbraw/zinc/28/77/97/591287797.db2.gz ZFROEKIIBZRGBE-AYOQOUSVSA-N 2 0 343.471 1.659 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000894377794 591295183 /nfs/dbraw/zinc/29/51/83/591295183.db2.gz HBNUKDFLVKHIOM-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424864 591308414 /nfs/dbraw/zinc/30/84/14/591308414.db2.gz AODAFIFOOUUBBF-IRXDYDNUSA-N 2 0 339.480 1.698 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1c2c(nn1C)CCOC2 ZINC000894456859 591316348 /nfs/dbraw/zinc/31/63/48/591316348.db2.gz STQMGHSJPOAPEX-INIZCTEOSA-N 2 0 349.523 1.341 20 0 EDADRP CN(C)[S@](C)(=O)=NCC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000898401594 591341649 /nfs/dbraw/zinc/34/16/49/591341649.db2.gz UZSQDUVWSBELBS-JOCHJYFZSA-N 2 0 330.542 1.615 20 0 EDADRP COC(=O)c1[nH]c2ccccc2c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000894765947 591414389 /nfs/dbraw/zinc/41/43/89/591414389.db2.gz LQKBKWLNDKMIOI-UHFFFAOYSA-N 2 0 346.475 1.880 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCN3CCSC[C@H]23)CC1 ZINC000896427932 591463618 /nfs/dbraw/zinc/46/36/18/591463618.db2.gz ISIXYMZKJPMSHI-HZPDHXFCSA-N 2 0 327.538 1.391 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)cc1 ZINC000897517651 591518323 /nfs/dbraw/zinc/51/83/23/591518323.db2.gz XBMCWZNECRIYKJ-GOSISDBHSA-N 2 0 331.460 1.128 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)N[C@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000896609461 591551950 /nfs/dbraw/zinc/55/19/50/591551950.db2.gz NVDZEBJWYITBRD-OWCLPIDISA-N 2 0 340.537 1.597 20 0 EDADRP Cn1nc2c(c1CN1CCOC3(CC[NH+](C)CC3)C1)CSCC2 ZINC000895082242 591573947 /nfs/dbraw/zinc/57/39/47/591573947.db2.gz DMORJCZWMJRSMK-UHFFFAOYSA-N 2 0 336.505 1.506 20 0 EDADRP OC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC2(CC1)OCCO2 ZINC000896688783 591576199 /nfs/dbraw/zinc/57/61/99/591576199.db2.gz TUGWGXOJMKMBLV-UHFFFAOYSA-N 2 0 347.459 1.688 20 0 EDADRP O=C1N(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]2CCCCN12 ZINC000895342454 591721378 /nfs/dbraw/zinc/72/13/78/591721378.db2.gz HQVNCFWFYMIITP-KRWDZBQOSA-N 2 0 340.431 1.647 20 0 EDADRP COc1cc2[nH+]ccc(N3CCN(C)CC[N@H+](C)CC3)c2cc1OC ZINC000897095795 591737665 /nfs/dbraw/zinc/73/76/65/591737665.db2.gz YJTOVJSNZFXLRZ-UHFFFAOYSA-N 2 0 344.459 1.936 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895467778 591769109 /nfs/dbraw/zinc/76/91/09/591769109.db2.gz NXEWPYQQFPDNKR-RTBURBONSA-N 2 0 343.471 1.660 20 0 EDADRP O=C(NCc1ccccc1Cn1ccnc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895533139 591791520 /nfs/dbraw/zinc/79/15/20/591791520.db2.gz ZNVFNYFUOOXXIB-GOSISDBHSA-N 2 0 340.427 1.268 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898141293 591800794 /nfs/dbraw/zinc/80/07/94/591800794.db2.gz YRDUVFDNVDQBTH-GOSISDBHSA-N 2 0 345.487 1.734 20 0 EDADRP CC(C)C[C@@H]1C[N@H+](C)CCN1C(=S)NCC1CC[NH+](C)CC1 ZINC000899614241 591872313 /nfs/dbraw/zinc/87/23/13/591872313.db2.gz ZUCKCMCAJMOVME-MRXNPFEDSA-N 2 0 326.554 1.865 20 0 EDADRP C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000897352283 591887632 /nfs/dbraw/zinc/88/76/32/591887632.db2.gz HAKGMUKLDFLLQH-CVEARBPZSA-N 2 0 349.519 1.866 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000900179575 591930202 /nfs/dbraw/zinc/93/02/02/591930202.db2.gz MWYKUOSWDUJYGE-QUCCMNQESA-N 2 0 345.487 1.614 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000900187735 591933863 /nfs/dbraw/zinc/93/38/63/591933863.db2.gz MSJXIVTZKXXITP-UYAOXDASSA-N 2 0 345.487 1.265 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCN2C(C)(C)C)CC1 ZINC000900339936 591989088 /nfs/dbraw/zinc/98/90/88/591989088.db2.gz UEWWXLJEBCBRNP-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000900352790 591992972 /nfs/dbraw/zinc/99/29/72/591992972.db2.gz LHOIDWZBRSQZLO-FUHWJXTLSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@H]1CN(c2cc(N3CC[C@@H](C[NH3+])[C@H](C)C3)ncn2)CC[C@@H]1C[NH3+] ZINC000900385955 592003114 /nfs/dbraw/zinc/00/31/14/592003114.db2.gz YVUXLJNVTPHJEV-SYMSYNOKSA-N 2 0 332.496 1.319 20 0 EDADRP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CNCCOC4)C[C@@H]3C2)cc1 ZINC000902516468 592009309 /nfs/dbraw/zinc/00/93/09/592009309.db2.gz DWNFABDUJZHEIN-ZGXWSNOMSA-N 2 0 329.488 1.865 20 0 EDADRP CN1CCN(c2ccc(NC(=O)Cc3c[nH]cn3)cc2Cl)CC1 ZINC000900469908 592027610 /nfs/dbraw/zinc/02/76/10/592027610.db2.gz ZDXJECHDECHGAP-UHFFFAOYSA-N 2 0 333.823 1.996 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)cc1 ZINC000900565049 592054016 /nfs/dbraw/zinc/05/40/16/592054016.db2.gz DZLOPANLSNDJBV-VQIMIIECSA-N 2 0 349.475 1.088 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC000900623212 592074744 /nfs/dbraw/zinc/07/47/44/592074744.db2.gz GPISJOYPMMCVRE-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903131873 592123918 /nfs/dbraw/zinc/12/39/18/592123918.db2.gz XGZXWYNEVBCKJO-JONQDZQNSA-N 2 0 333.480 1.838 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(NCc3nccn3C)cc2)CCN1C ZINC000900847737 592147085 /nfs/dbraw/zinc/14/70/85/592147085.db2.gz PSMMTTOZJQNSMP-CQSZACIVSA-N 2 0 327.432 1.808 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)C1CC[NH+](C)CC1 ZINC000903433364 592169022 /nfs/dbraw/zinc/16/90/22/592169022.db2.gz ANLNFYQGSOWWQT-AAEUAGOBSA-N 2 0 339.871 1.734 20 0 EDADRP CCc1nn(C)c(Cl)c1CN1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903443873 592173067 /nfs/dbraw/zinc/17/30/67/592173067.db2.gz LJVSPEIHPFGGNL-KGLIPLIRSA-N 2 0 339.915 1.881 20 0 EDADRP CCN1CCN(C(=O)CC2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000903445012 592173190 /nfs/dbraw/zinc/17/31/90/592173190.db2.gz WSXSMGBBYYSVPX-MSOLQXFVSA-N 2 0 336.524 1.380 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC000903449872 592173759 /nfs/dbraw/zinc/17/37/59/592173759.db2.gz KKOWPCAHZPBXBC-RWMBFGLXSA-N 2 0 337.386 1.416 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470828 592175205 /nfs/dbraw/zinc/17/52/05/592175205.db2.gz DQQHINULKZEDPN-IRXDYDNUSA-N 2 0 330.476 1.280 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2ccc3cc[nH]c3c2)C1 ZINC000903476245 592176135 /nfs/dbraw/zinc/17/61/35/592176135.db2.gz RPAKRUFAMZVMEH-HYVNUMGLSA-N 2 0 326.400 1.535 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C(=O)N(C)C)c1ccccc1)C2 ZINC000903493671 592186131 /nfs/dbraw/zinc/18/61/31/592186131.db2.gz ZKMLCFZACYOUBZ-RCJHGTSTSA-N 2 0 345.443 1.028 20 0 EDADRP Cn1c2ccccc2nc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903508563 592189326 /nfs/dbraw/zinc/18/93/26/592189326.db2.gz LRYIMGMWIPYUMO-CALCHBBNSA-N 2 0 339.487 1.974 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000903519956 592195653 /nfs/dbraw/zinc/19/56/53/592195653.db2.gz CTFQZYQXTLRFMR-INIZCTEOSA-N 2 0 343.537 1.418 20 0 EDADRP CC1(C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000903557601 592218676 /nfs/dbraw/zinc/21/86/76/592218676.db2.gz DHKYUCFXQAODMV-SFHVURJKSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@]1(C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000904372927 592239947 /nfs/dbraw/zinc/23/99/47/592239947.db2.gz JXTPOUIWNCWGGV-IBGZPJMESA-N 3 0 330.520 1.959 20 0 EDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cnc(N3CCCC3)nc1)CC2 ZINC000904389075 592241793 /nfs/dbraw/zinc/24/17/93/592241793.db2.gz GQBRZDZNQUOJEE-MRXNPFEDSA-N 2 0 331.464 1.407 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc3c(c2)CCCO3)C1 ZINC000904384334 592247494 /nfs/dbraw/zinc/24/74/94/592247494.db2.gz IVGVLRLVYJAWRS-XYJFISCASA-N 2 0 343.427 1.379 20 0 EDADRP C[C@@H]1c2c[nH]nc2CC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000906672389 592253707 /nfs/dbraw/zinc/25/37/07/592253707.db2.gz XQDZINMIEVEXOI-HOTGVXAUSA-N 2 0 349.523 1.808 20 0 EDADRP CN1CCN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CC[N@H+](C)CC1 ZINC000904511483 592274704 /nfs/dbraw/zinc/27/47/04/592274704.db2.gz TXAYYRWMRSUKOF-UHFFFAOYSA-N 2 0 349.454 1.183 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)cc1 ZINC000904512368 592274739 /nfs/dbraw/zinc/27/47/39/592274739.db2.gz ZRXYEQOPJWKYKI-IAGOWNOFSA-N 2 0 348.447 1.087 20 0 EDADRP CCCC[N@H+](C[C@@H]1C[C@]2(CC[NH2+]C2)CO1)[C@H]1CCS(=O)(=O)C1 ZINC000903719062 592281611 /nfs/dbraw/zinc/28/16/11/592281611.db2.gz USKFNVDSKOCXDE-JYJNAYRXSA-N 2 0 330.494 1.044 20 0 EDADRP CC(C)CNC(=O)C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903722660 592283635 /nfs/dbraw/zinc/28/36/35/592283635.db2.gz CRXMWPGFXZSEBS-QGZVFWFLSA-N 2 0 337.508 1.629 20 0 EDADRP Cn1cc(C(=O)NCC2CC[NH+](C[C@@H]3CCCC[NH2+]C3)CC2)cn1 ZINC000903727616 592285863 /nfs/dbraw/zinc/28/58/63/592285863.db2.gz VZEAVXAZQYMRPQ-MRXNPFEDSA-N 2 0 333.480 1.252 20 0 EDADRP Cc1nc(CN2CCC[C@H]([N@H+](C)C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)no1 ZINC000903738993 592300511 /nfs/dbraw/zinc/30/05/11/592300511.db2.gz AMYPTOBDHUSOCE-LZLYRXPVSA-N 2 0 349.479 1.043 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(O)(C[NH3+])CC2)c2ncccc12 ZINC000903761348 592307280 /nfs/dbraw/zinc/30/72/80/592307280.db2.gz QMLONOLGUXVKHP-UHFFFAOYSA-N 2 0 329.400 1.307 20 0 EDADRP CN(C)S(=O)(=O)CCC[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793343 592316022 /nfs/dbraw/zinc/31/60/22/592316022.db2.gz AXKRATLYPZNIGV-UHFFFAOYSA-N 2 0 339.505 1.260 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903781862 592320844 /nfs/dbraw/zinc/32/08/44/592320844.db2.gz CAKKQQFXQMVORR-GBESFXJTSA-N 2 0 331.460 1.410 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C(C)(C)C[NH3+])CC1 ZINC000903788724 592323031 /nfs/dbraw/zinc/32/30/31/592323031.db2.gz GBYCJPOXUCBHMM-ZDUSSCGKSA-N 2 0 326.485 1.554 20 0 EDADRP [NH3+]CC1([C@@H]2CCCC[N@@H+]2C[C@@H](O)COC[C@@H]2CCCO2)CCC1 ZINC000903810556 592331060 /nfs/dbraw/zinc/33/10/60/592331060.db2.gz DWJSXEDVUROECN-IKGGRYGDSA-N 2 0 326.481 1.526 20 0 EDADRP Cc1noc(C[C@@H]2CCC[N@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903824433 592334613 /nfs/dbraw/zinc/33/46/13/592334613.db2.gz QPFRNYWWIFRFNQ-JKSUJKDBSA-N 2 0 334.464 1.791 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCCO)Cc2ccccc2)cnn1C ZINC000903890733 592352567 /nfs/dbraw/zinc/35/25/67/592352567.db2.gz GPOLFADEZTXQAB-GOSISDBHSA-N 2 0 330.476 1.731 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(Cn3cccn3)CC2)cnn1C ZINC000903893636 592365520 /nfs/dbraw/zinc/36/55/20/592365520.db2.gz XSJGPGVXKOULBM-QGZVFWFLSA-N 2 0 330.480 1.455 20 0 EDADRP COc1ccc(CC[NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)cc1F ZINC000903920836 592378488 /nfs/dbraw/zinc/37/84/88/592378488.db2.gz MHRKVNPIJPHVHJ-OAHLLOKOSA-N 2 0 334.439 1.826 20 0 EDADRP O=C1C[C@@H]([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CN1CCOc1ccccc1 ZINC000903924519 592380161 /nfs/dbraw/zinc/38/01/61/592380161.db2.gz FLNLYGJVGAZEQE-HQSKLWIPSA-N 2 0 343.471 1.787 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)cnn1C ZINC000903930021 592382384 /nfs/dbraw/zinc/38/23/84/592382384.db2.gz QETFACGZBQQBDG-ZOCIIQOWSA-N 2 0 345.466 1.412 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cnn1C ZINC000903932389 592383698 /nfs/dbraw/zinc/38/36/98/592383698.db2.gz QJTLQUCJUZMQLS-KCITZHQASA-N 3 0 349.523 1.064 20 0 EDADRP c1cc(C[NH+]2CCC(N[C@H]3C[NH2+]CC4(CCOCC4)C3)CC2)ccn1 ZINC000903975298 592398777 /nfs/dbraw/zinc/39/87/77/592398777.db2.gz ZJUMNTUQOIEQRE-LJQANCHMSA-N 2 0 344.503 1.794 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)CC[C@@H](O)c2ccccc2)CC1 ZINC000905109196 592409981 /nfs/dbraw/zinc/40/99/81/592409981.db2.gz CPIASILEZVUYDU-RTBURBONSA-N 2 0 349.519 1.477 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000905110227 592410851 /nfs/dbraw/zinc/41/08/51/592410851.db2.gz LGGSXUQCTNNOBQ-SLFFLAALSA-N 2 0 349.519 1.333 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)C[C@H](O)c1ccccc1)N1CC[NH+](C)CC1 ZINC000905110223 592410948 /nfs/dbraw/zinc/41/09/48/592410948.db2.gz LGGSXUQCTNNOBQ-AABGKKOBSA-N 2 0 349.519 1.333 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)Nc2cccc(C[NH+]3CC[C@H](O)C3)c2)C1 ZINC000908319967 592432304 /nfs/dbraw/zinc/43/23/04/592432304.db2.gz ZIRQYBTXCGUGQT-HKUYNNGSSA-N 2 0 347.459 1.039 20 0 EDADRP C[C@]1(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905244003 592474297 /nfs/dbraw/zinc/47/42/97/592474297.db2.gz OEIZNTACRZHBOR-AQNXPRMDSA-N 2 0 348.487 1.391 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CC1(C)C ZINC000905248352 592475912 /nfs/dbraw/zinc/47/59/12/592475912.db2.gz TUDFTRCVYGNMHR-GFCCVEGCSA-N 2 0 347.372 1.551 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)CC1 ZINC000905293932 592486686 /nfs/dbraw/zinc/48/66/86/592486686.db2.gz BWZCSHSYTWUTNA-LBPRGKRZSA-N 2 0 347.372 1.551 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333934 592508843 /nfs/dbraw/zinc/50/88/43/592508843.db2.gz MPJQBAGVWZSPLT-HLLBOEOZSA-N 2 0 343.537 1.653 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC000907090032 592516093 /nfs/dbraw/zinc/51/60/93/592516093.db2.gz HOQRCPVFCOSGKP-IXDOHACOSA-N 2 0 337.508 1.961 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)c3ccccn3)C2)[C@@H]1C(C)C ZINC000905503663 592546714 /nfs/dbraw/zinc/54/67/14/592546714.db2.gz RNDCBIZCDIHFNT-QQXKLLMISA-N 2 0 333.476 1.574 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2c2cc(-n3ccnc3)ncn2)cc1 ZINC000905654463 592597504 /nfs/dbraw/zinc/59/75/04/592597504.db2.gz UUNCTIHTQUFAIV-INIZCTEOSA-N 2 0 336.399 1.822 20 0 EDADRP C[C@H](NC(=O)C1CN(C)CC[N@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000907449753 592661165 /nfs/dbraw/zinc/66/11/65/592661165.db2.gz YNEDMWRBEJUHBH-MAUKXSAKSA-N 2 0 332.492 1.287 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906222403 592761238 /nfs/dbraw/zinc/76/12/38/592761238.db2.gz MMGBRQXBLTZWGN-UHFFFAOYSA-N 2 0 349.523 1.788 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)C1 ZINC000910714713 592888642 /nfs/dbraw/zinc/88/86/42/592888642.db2.gz CVHFCQMQHDZBQG-HNNXBMFYSA-N 2 0 340.512 1.022 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=S)NCCC[NH+](C)C)[C@@H](C)C1 ZINC000734386751 592961835 /nfs/dbraw/zinc/96/18/35/592961835.db2.gz UXCTXGLXJNEJFT-HOTGVXAUSA-N 2 0 344.569 1.539 20 0 EDADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCC[NH2+]C1)Cc1cc(F)c(F)cc1F ZINC000911708319 592992338 /nfs/dbraw/zinc/99/23/38/592992338.db2.gz VVPGHZZSYJIAIL-CMPLNLGQSA-N 2 0 329.366 1.480 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]2NCCOc3ccccc32)cc1 ZINC000911733768 592998995 /nfs/dbraw/zinc/99/89/95/592998995.db2.gz CWMHMGBJEGAJGR-GOSISDBHSA-N 2 0 325.412 1.527 20 0 EDADRP C[NH2+]CC1CCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)CC1 ZINC000911778783 593003489 /nfs/dbraw/zinc/00/34/89/593003489.db2.gz KZIFNFKFZAPFEU-CYBMUJFWSA-N 2 0 343.393 1.822 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000911811195 593015608 /nfs/dbraw/zinc/01/56/08/593015608.db2.gz RHMCXMZFMIQGIE-JLSDUUJJSA-N 2 0 329.444 1.818 20 0 EDADRP C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000911819671 593016334 /nfs/dbraw/zinc/01/63/34/593016334.db2.gz QBCGLBAKUJFIMJ-XUCFMKDRSA-N 2 0 331.460 1.836 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000911832291 593018749 /nfs/dbraw/zinc/01/87/49/593018749.db2.gz FOYKUZSOHHARPF-FHFUJXRGSA-N 2 0 331.460 1.884 20 0 EDADRP CC[C@@H]1CCc2[nH]c(=O)c(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2C1 ZINC000911877650 593029347 /nfs/dbraw/zinc/02/93/47/593029347.db2.gz AVWSSALKASTKOQ-TZMCWYRMSA-N 2 0 332.448 1.017 20 0 EDADRP CCOc1ccccc1[C@@H]([NH3+])CC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000911876113 593029558 /nfs/dbraw/zinc/02/95/58/593029558.db2.gz XYYQVICUTLGUHC-KRWDZBQOSA-N 2 0 349.475 1.832 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000912583319 593106189 /nfs/dbraw/zinc/10/61/89/593106189.db2.gz DHROHEIBCCGHTG-DLBZAZTESA-N 2 0 337.508 1.602 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(CN3C[C@](C)(c4ccccn4)CC3=O)C2)C1 ZINC000840086157 593154255 /nfs/dbraw/zinc/15/42/55/593154255.db2.gz KRKXPQZNLISYGA-WOJBJXKFSA-N 2 0 342.487 1.947 20 0 EDADRP C[NH+](C)CCCNC(=S)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000839420225 593299088 /nfs/dbraw/zinc/29/90/88/593299088.db2.gz ZNVDGHMOKFSPDG-UHFFFAOYSA-N 2 0 336.509 1.072 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000812831591 593510336 /nfs/dbraw/zinc/51/03/36/593510336.db2.gz ZKUYHKCEUYRGHP-UHFFFAOYSA-N 2 0 340.493 1.306 20 0 EDADRP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817963891 593652303 /nfs/dbraw/zinc/65/23/03/593652303.db2.gz XRTYZVHRCSCVOZ-NXEZZACHSA-N 2 0 336.404 1.937 20 0 EDADRP C[NH+]1CCC(CC[NH2+]C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818989634 593732675 /nfs/dbraw/zinc/73/26/75/593732675.db2.gz OSLJVCVMMSWAQW-OAHLLOKOSA-N 2 0 329.485 1.584 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)c3ccc(F)c(F)c3)C2)CC1 ZINC000819052846 593735848 /nfs/dbraw/zinc/73/58/48/593735848.db2.gz FNDJRQUDEHLOCD-KDOFPFPSSA-N 2 0 339.430 1.756 20 0 EDADRP Cc1ccccc1[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000819366119 593751952 /nfs/dbraw/zinc/75/19/52/593751952.db2.gz JOVABLGBNDKYLF-IBGZPJMESA-N 2 0 347.503 1.415 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccc(-c3nn[nH]n3)s2)CC1 ZINC000821627280 593887996 /nfs/dbraw/zinc/88/79/96/593887996.db2.gz UZFRPJHIHZRHFF-UHFFFAOYSA-N 2 0 335.481 1.044 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@H]3C[C@@]34CC[NH2+]C4)n2)ccn1 ZINC000822861222 594112997 /nfs/dbraw/zinc/11/29/97/594112997.db2.gz BLEXWSOYECNHQU-CXAGYDPISA-N 2 0 329.404 1.539 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)c2cccc(C[NH3+])c2)CC1 ZINC000827798055 594279727 /nfs/dbraw/zinc/27/97/27/594279727.db2.gz HUBMCCIXYLFFNB-UHFFFAOYSA-N 2 0 339.443 1.222 20 0 EDADRP CCOC(=O)[C@H]1CN(Cc2ccnn2-c2cc[nH+]cc2)CC12COC2 ZINC000826030230 594310658 /nfs/dbraw/zinc/31/06/58/594310658.db2.gz SWJOJYUBVRGHKF-MRXNPFEDSA-N 2 0 342.399 1.279 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)NCCCCCC[NH3+])CC2)CC1 ZINC000831123006 594562453 /nfs/dbraw/zinc/56/24/53/594562453.db2.gz BJFVWDMXARJSFG-UHFFFAOYSA-N 2 0 339.528 1.363 20 0 EDADRP CN(CC[NH+]1CC2(C1)CCOCC2)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000829257714 594588924 /nfs/dbraw/zinc/58/89/24/594588924.db2.gz RHRBCKKKNYTABL-SFHVURJKSA-N 2 0 349.519 1.964 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCCCCCC[NH3+])CC1 ZINC000831275524 594597263 /nfs/dbraw/zinc/59/72/63/594597263.db2.gz WHPROSVYFFOSOD-UHFFFAOYSA-N 2 0 327.517 1.221 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1 ZINC000827080541 594636003 /nfs/dbraw/zinc/63/60/03/594636003.db2.gz FFPSTNHXCSECNT-YESZJQIVSA-N 2 0 342.528 1.857 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC(C)([NH+]2CCCCC2)CC1 ZINC000832234726 594737174 /nfs/dbraw/zinc/73/71/74/594737174.db2.gz XBLULRJGKJSTJS-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCO[C@@H](C[NH3+])C3)cc2)CC1 ZINC000841018634 594840174 /nfs/dbraw/zinc/84/01/74/594840174.db2.gz YZEBFHVXAJFRQB-KRWDZBQOSA-N 2 0 347.463 1.020 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000841287587 594881832 /nfs/dbraw/zinc/88/18/32/594881832.db2.gz FDDNZZOFBNZRJS-HOCLYGCPSA-N 2 0 334.420 1.009 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)NC2CC[NH+](CC3CC3)CC2)cc1 ZINC000841715148 594942179 /nfs/dbraw/zinc/94/21/79/594942179.db2.gz DCGKPHVLJSNOJP-UHFFFAOYSA-N 2 0 330.476 1.861 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000841790279 594953372 /nfs/dbraw/zinc/95/33/72/594953372.db2.gz BNCFFYQQAKNNBS-IAGOWNOFSA-N 2 0 332.448 1.020 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000841847575 594964725 /nfs/dbraw/zinc/96/47/25/594964725.db2.gz TWMPQYPUAVSARI-DYVFJYSZSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928647 594983555 /nfs/dbraw/zinc/98/35/55/594983555.db2.gz QPTOULFSIURDKF-INIZCTEOSA-N 2 0 347.507 1.013 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCN1C1CCOCC1 ZINC000843386033 595096683 /nfs/dbraw/zinc/09/66/83/595096683.db2.gz BIKBHBADZIHIHL-JFIYKMOQSA-N 2 0 335.492 1.478 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cccc(C(N)=O)c2)cc1 ZINC000842471966 595113559 /nfs/dbraw/zinc/11/35/59/595113559.db2.gz JNRTYBXBUAAANY-QGZVFWFLSA-N 2 0 327.428 1.968 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC2(C1)CC[NH2+]CC2 ZINC000834442161 595124443 /nfs/dbraw/zinc/12/44/43/595124443.db2.gz QZQPHOJOKFWWKG-GOSISDBHSA-N 2 0 342.487 1.896 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c(F)c1 ZINC000846176843 595165481 /nfs/dbraw/zinc/16/54/81/595165481.db2.gz IMTMKWNFJHNXIY-SFHVURJKSA-N 2 0 342.418 1.971 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccccn2)C1 ZINC000846226837 595179530 /nfs/dbraw/zinc/17/95/30/595179530.db2.gz COZKZGFEIUUFKC-DJIMGWMZSA-N 2 0 332.448 1.059 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000844162435 595287936 /nfs/dbraw/zinc/28/79/36/595287936.db2.gz QOIAERASUSVTBC-MSOLQXFVSA-N 2 0 333.476 1.954 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844184696 595296053 /nfs/dbraw/zinc/29/60/53/595296053.db2.gz ABGZRLGDCDZHJD-QGZVFWFLSA-N 2 0 335.448 1.724 20 0 EDADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000844186766 595296503 /nfs/dbraw/zinc/29/65/03/595296503.db2.gz TYNFRJHFRJPMPR-BWTSREIZSA-N 2 0 342.487 1.869 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC000846689153 595302388 /nfs/dbraw/zinc/30/23/88/595302388.db2.gz YSUYQLUBQDEKBW-KURKYZTESA-N 2 0 337.508 1.997 20 0 EDADRP Cn1ccnc1[C@@H]1CC[N@H+](C[C@H](O)CCNC(=O)OC(C)(C)C)C1 ZINC000846838128 595324982 /nfs/dbraw/zinc/32/49/82/595324982.db2.gz LZOGLZJCKHWCGF-ZIAGYGMSSA-N 2 0 338.452 1.485 20 0 EDADRP OCC1([NH2+]CC2CC2)CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000844337458 595327751 /nfs/dbraw/zinc/32/77/51/595327751.db2.gz GBCOQQWRCKMUEN-UHFFFAOYSA-N 2 0 338.492 1.746 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@H](C(=O)OC(C)(C)C)CC1=O ZINC000844691358 595373557 /nfs/dbraw/zinc/37/35/57/595373557.db2.gz JOZFYXQQZUZJOA-OAHLLOKOSA-N 2 0 339.480 1.408 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCC[NH+]1CCCO[C@H](C)C1 ZINC000849104035 595482592 /nfs/dbraw/zinc/48/25/92/595482592.db2.gz JRDGWPFGPTUPTR-HZPDHXFCSA-N 3 0 325.501 1.086 20 0 EDADRP COCC[NH+]1CCC(OC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000847886341 595497226 /nfs/dbraw/zinc/49/72/26/595497226.db2.gz UOIBYHDYKVTMJP-QGZVFWFLSA-N 2 0 330.444 1.853 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)cc21 ZINC000852797740 595547881 /nfs/dbraw/zinc/54/78/81/595547881.db2.gz AKIDEEHYAOTLCZ-BZSNNMDCSA-N 2 0 343.471 1.658 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852863697 595583983 /nfs/dbraw/zinc/58/39/83/595583983.db2.gz QWBAKQSQKBHYPL-MRXNPFEDSA-N 2 0 332.448 1.461 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852867568 595587799 /nfs/dbraw/zinc/58/77/99/595587799.db2.gz XTUYRMOXOARNPJ-HYVNUMGLSA-N 2 0 344.459 1.602 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)[C@@H]1c1cccs1 ZINC000852870623 595590473 /nfs/dbraw/zinc/59/04/73/595590473.db2.gz OLTPKRYZZVXOIJ-LALPHHSUSA-N 2 0 336.461 1.351 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H]3CCO[C@H]3C[NH3+])cc2)CC1 ZINC000852873204 595592493 /nfs/dbraw/zinc/59/24/93/595592493.db2.gz QNRYFOWRFUKQGJ-IRXDYDNUSA-N 2 0 332.448 1.131 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000852906897 595609112 /nfs/dbraw/zinc/60/91/12/595609112.db2.gz WPVZGSALVJYDCH-BVGQSLNGSA-N 2 0 331.460 1.788 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000850724951 595612696 /nfs/dbraw/zinc/61/26/96/595612696.db2.gz WEJTVNQFBIHWQC-UHFFFAOYSA-N 2 0 343.475 1.784 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853307083 595732457 /nfs/dbraw/zinc/73/24/57/595732457.db2.gz JHRKMBZWQYNONW-SFHVURJKSA-N 2 0 331.464 1.702 20 0 EDADRP CCN(C(=O)NCc1ccc(-n2ccnc2C)nc1)[C@H]1CC[N@H+](C)C1 ZINC000853464081 595758111 /nfs/dbraw/zinc/75/81/11/595758111.db2.gz PKOQXGVRTGCDGR-INIZCTEOSA-N 2 0 342.447 1.811 20 0 EDADRP [NH3+]CCCCCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000851668237 595877339 /nfs/dbraw/zinc/87/73/39/595877339.db2.gz SUAJTDHJONQKNG-SFHVURJKSA-N 2 0 348.491 1.572 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000853823526 595892520 /nfs/dbraw/zinc/89/25/20/595892520.db2.gz XSIFRDLNXAYCSQ-USXIJHARSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CC1)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859213896 596006119 /nfs/dbraw/zinc/00/61/19/596006119.db2.gz KVNCECNTZJUBNQ-CYBMUJFWSA-N 2 0 332.448 1.557 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861548505 596025438 /nfs/dbraw/zinc/02/54/38/596025438.db2.gz QBZKBFLKTYFTTD-WMLDXEAASA-N 2 0 334.464 1.821 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CCN(C(=O)Cn3ccnc3)C2)ccn1 ZINC000856625292 596037634 /nfs/dbraw/zinc/03/76/34/596037634.db2.gz DXWCEQCGASVPBD-QGZVFWFLSA-N 2 0 343.431 1.410 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cn(C)nn3)C2)ccn1 ZINC000859363778 596066979 /nfs/dbraw/zinc/06/69/79/596066979.db2.gz VVUKPJVITSBXRJ-SFHVURJKSA-N 2 0 344.463 1.358 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000861739739 596084423 /nfs/dbraw/zinc/08/44/23/596084423.db2.gz UUXPSEXUWBDKOC-HNNXBMFYSA-N 2 0 346.475 1.094 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857115749 596160819 /nfs/dbraw/zinc/16/08/19/596160819.db2.gz SBDIHKYVSBKHNW-RDJZCZTQSA-N 2 0 333.480 1.815 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NCC[C@H](C)[NH3+] ZINC000857115748 596160874 /nfs/dbraw/zinc/16/08/74/596160874.db2.gz SBDIHKYVSBKHNW-DOTOQJQBSA-N 2 0 333.480 1.815 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cccc([C@@H]2CCC[NH+](C)C2)c1 ZINC000857123012 596163311 /nfs/dbraw/zinc/16/33/11/596163311.db2.gz UTQIHTHTVZICSG-RTBURBONSA-N 2 0 344.503 1.471 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857123178 596163392 /nfs/dbraw/zinc/16/33/92/596163392.db2.gz HYOKSDJBQGHTNA-OALUTQOASA-N 2 0 345.487 1.946 20 0 EDADRP C[N@H+](CC(=O)N1CCC2(CC1)CC[NH+](C)CC2)[C@@H]1CCSC1 ZINC000870508166 596264502 /nfs/dbraw/zinc/26/45/02/596264502.db2.gz VAWXLQMJELAUKZ-OAHLLOKOSA-N 2 0 325.522 1.758 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC[C@H]2CCc3ccccc32)C1 ZINC000866712826 596305995 /nfs/dbraw/zinc/30/59/95/596305995.db2.gz YKCYLAFKWUQHBT-ZAWLATJESA-N 2 0 341.455 1.973 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000867794376 596553367 /nfs/dbraw/zinc/55/33/67/596553367.db2.gz PJTNEWKKHVTUIS-MRXNPFEDSA-N 2 0 331.526 1.655 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000865455990 596581206 /nfs/dbraw/zinc/58/12/06/596581206.db2.gz CZXPIYAWFBJIIC-QGZVFWFLSA-N 2 0 344.503 1.648 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000869762145 596620829 /nfs/dbraw/zinc/62/08/29/596620829.db2.gz FWYCLWONRZZMNH-RDJZCZTQSA-N 2 0 325.497 1.534 20 0 EDADRP C[C@@H]([NH3+])CN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000863570690 596622067 /nfs/dbraw/zinc/62/20/67/596622067.db2.gz YUQSJDBASZAOKS-HZPDHXFCSA-N 2 0 332.492 1.435 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000869782120 596634133 /nfs/dbraw/zinc/63/41/33/596634133.db2.gz HEVCYDYUZOQROT-HOTGVXAUSA-N 2 0 325.497 1.458 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863643859 596642052 /nfs/dbraw/zinc/64/20/52/596642052.db2.gz ZIYFLMDDVNUKOF-SJORKVTESA-N 2 0 347.463 1.529 20 0 EDADRP CO[C@H]1CCCC[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017567 596709559 /nfs/dbraw/zinc/70/95/59/596709559.db2.gz PWKITQFJALLYPK-NCOADZHNSA-N 2 0 325.497 1.389 20 0 EDADRP Cn1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C2CCC2)n1 ZINC000870017068 596709642 /nfs/dbraw/zinc/70/96/42/596709642.db2.gz HHIBMKFCPCDBFY-HZPDHXFCSA-N 2 0 347.507 1.499 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncnc3sccc32)C[C@H]1C[NH+](C)C ZINC000870017669 596709770 /nfs/dbraw/zinc/70/97/70/596709770.db2.gz QSQSHSSZBOKRDJ-CHWSQXEVSA-N 2 0 347.488 1.503 20 0 EDADRP CCc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(O)c1 ZINC000870019333 596710766 /nfs/dbraw/zinc/71/07/66/596710766.db2.gz FFHINUBYEPEFIR-HZPDHXFCSA-N 2 0 333.476 1.766 20 0 EDADRP Cc1ncc(Cl)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870021589 596712090 /nfs/dbraw/zinc/71/20/90/596712090.db2.gz PXBDVVQBUIZXJN-CHWSQXEVSA-N 2 0 339.871 1.250 20 0 EDADRP CC[C@@H](OC1CCCC1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022323 596712439 /nfs/dbraw/zinc/71/24/39/596712439.db2.gz SHFUPYZKZDQASB-JFIYKMOQSA-N 2 0 339.524 1.922 20 0 EDADRP COc1ccccc1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870025466 596714708 /nfs/dbraw/zinc/71/47/08/596714708.db2.gz TXPBKFNGBSCCOA-HZPDHXFCSA-N 2 0 349.475 1.272 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000868226440 596734929 /nfs/dbraw/zinc/73/49/29/596734929.db2.gz BYVKFPZUFKEFDI-YVSFHVDLSA-N 2 0 342.443 1.183 20 0 EDADRP CCn1cnc2c1ncnc2N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866012547 596757445 /nfs/dbraw/zinc/75/74/45/596757445.db2.gz HEMOFPJEKWTPGC-ZIAGYGMSSA-N 2 0 331.468 1.022 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cccnc2Cl)C[C@H]1C[NH+](C)C ZINC000866041167 596770238 /nfs/dbraw/zinc/77/02/38/596770238.db2.gz PPWMRVKZVDEYTK-CHWSQXEVSA-N 2 0 339.871 1.938 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@@H]4O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145442 596810563 /nfs/dbraw/zinc/81/05/63/596810563.db2.gz SOISBKZVHOOGSN-MWTISTBLSA-N 2 0 348.491 1.164 20 0 EDADRP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NC2CC2)C1)C1CCCC1 ZINC000872157043 596816150 /nfs/dbraw/zinc/81/61/50/596816150.db2.gz NERNRQFSGHSAQL-BBRMVZONSA-N 2 0 336.480 1.594 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)ccc1C ZINC000872256945 596857203 /nfs/dbraw/zinc/85/72/03/596857203.db2.gz GKIKICCYDCXNMX-UXLLHSPISA-N 2 0 331.416 1.371 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCCN(CC(F)F)C2)CCSC1 ZINC000866333880 596859838 /nfs/dbraw/zinc/85/98/38/596859838.db2.gz OTMPQAOXNWMPJF-WFASDCNBSA-N 2 0 335.464 1.517 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000875729587 596964958 /nfs/dbraw/zinc/96/49/58/596964958.db2.gz XIFVDKHZARXSRV-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP CCSC1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CC1 ZINC000875747564 596971547 /nfs/dbraw/zinc/97/15/47/596971547.db2.gz QBRFEGKMBYZPPL-HUUCEWRRSA-N 2 0 342.553 1.653 20 0 EDADRP C[N@@H+]1CCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCC1(C)C ZINC000872696467 597035801 /nfs/dbraw/zinc/03/58/01/597035801.db2.gz SUEUEYXUUHQHEB-SFHVURJKSA-N 2 0 336.480 1.277 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CC1 ZINC000874432002 597075895 /nfs/dbraw/zinc/07/58/95/597075895.db2.gz FKLPCUPDRPODIS-DGCLKSJQSA-N 2 0 336.402 1.638 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C2CCC1(C[NH3+])CC2)Cc1ccccc1 ZINC000874432753 597076687 /nfs/dbraw/zinc/07/66/87/597076687.db2.gz QSBHCPDWZQJCMV-TVRKMHQQSA-N 2 0 330.476 1.825 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NC[C@@H]2CC[NH+]2C2CCCCCC2)C1 ZINC000876202374 597131859 /nfs/dbraw/zinc/13/18/59/597131859.db2.gz MWYDADFQAMTUSV-WMZOPIPTSA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(O)c(Cl)c1 ZINC000876392925 597190853 /nfs/dbraw/zinc/19/08/53/597190853.db2.gz COKAPJZBLFJAKW-UHFFFAOYSA-N 2 0 342.871 1.680 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N3CCC[C@@H](C[NH3+])C3)ccc2[nH]c1=O ZINC000876513540 597225788 /nfs/dbraw/zinc/22/57/88/597225788.db2.gz FGYJATCBPDEWAF-ZDUSSCGKSA-N 2 0 345.447 1.114 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)c2c(C[NH3+])cnn2C)cc1 ZINC000876712999 597300416 /nfs/dbraw/zinc/30/04/16/597300416.db2.gz WJZWZUUVDYGOOO-UHFFFAOYSA-N 2 0 329.448 1.651 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000876714428 597300968 /nfs/dbraw/zinc/30/09/68/597300968.db2.gz XTHVLBNTRMXBNG-UHFFFAOYSA-N 2 0 341.459 1.795 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC[NH+]1CCC(C)CC1 ZINC000876722814 597305385 /nfs/dbraw/zinc/30/53/85/597305385.db2.gz FNTZXCJSZSROMM-MRXNPFEDSA-N 2 0 333.480 1.578 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000876723233 597306496 /nfs/dbraw/zinc/30/64/96/597306496.db2.gz QMKMZZREAZUCOT-HYVNUMGLSA-N 2 0 347.507 1.966 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876725633 597307804 /nfs/dbraw/zinc/30/78/04/597307804.db2.gz VQNATMNZJSZOHN-INIZCTEOSA-N 2 0 335.496 1.968 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)NCc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000876735495 597313156 /nfs/dbraw/zinc/31/31/56/597313156.db2.gz OVNXCLOLURBXFR-IBGZPJMESA-N 2 0 346.519 1.956 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000876750693 597321501 /nfs/dbraw/zinc/32/15/01/597321501.db2.gz RBRGWQQKLASTMG-CVEARBPZSA-N 2 0 331.464 1.426 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782527 597338417 /nfs/dbraw/zinc/33/84/17/597338417.db2.gz WTVIYHBWWJOLJJ-FUHWJXTLSA-N 2 0 348.466 1.710 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000876840762 597355550 /nfs/dbraw/zinc/35/55/50/597355550.db2.gz FISHUAUIBBETQR-MAUKXSAKSA-N 2 0 331.464 1.332 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876846682 597357738 /nfs/dbraw/zinc/35/77/38/597357738.db2.gz DVVBUCAFPSHJFH-BBRMVZONSA-N 2 0 325.403 1.664 20 0 EDADRP C[C@H](C[C@H]1CCOC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875377024 597406393 /nfs/dbraw/zinc/40/63/93/597406393.db2.gz MRKUITHCMPCDPB-QBPKDAKJSA-N 2 0 340.512 1.182 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@](C)([NH3+])c3ccccc3)C[C@H]2[NH3+])cc1 ZINC000877237771 597474168 /nfs/dbraw/zinc/47/41/68/597474168.db2.gz IYWPJXBKUMHEAY-NLWGTHIKSA-N 2 0 339.439 1.822 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3[NH2+]CCCC3(C)C)C[C@H]2[NH3+])cc1 ZINC000877238275 597474610 /nfs/dbraw/zinc/47/46/10/597474610.db2.gz DHCXZPVULMBIPG-GVDBMIGSSA-N 2 0 331.460 1.727 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cccn1C1CC[NH2+]CC1 ZINC000877347712 597498142 /nfs/dbraw/zinc/49/81/42/597498142.db2.gz OPZXUQXXCQRXHI-KRWDZBQOSA-N 2 0 338.455 1.857 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000877355627 597499812 /nfs/dbraw/zinc/49/98/12/597499812.db2.gz NZGWQFHVQHVPSL-FZMZJTMJSA-N 2 0 327.350 1.542 20 0 EDADRP CSC1(C[NH2+]Cc2cccc(S(N)(=O)=O)c2)CC[NH+](C)CC1 ZINC000877540015 597532705 /nfs/dbraw/zinc/53/27/05/597532705.db2.gz WZUURPSCSHRRJH-UHFFFAOYSA-N 2 0 343.518 1.251 20 0 EDADRP COCC[N@@H+](Cc1cc2c(cn1)OCCO2)CC1CC[NH+](C)CC1 ZINC000877664667 597545944 /nfs/dbraw/zinc/54/59/44/597545944.db2.gz SXOQHJYMSXEMFG-UHFFFAOYSA-N 2 0 335.448 1.643 20 0 EDADRP CC(C)[C@H](CO)[N@H+](CC(=O)NC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000878169410 597583703 /nfs/dbraw/zinc/58/37/03/597583703.db2.gz MNLRMKLKRPETMD-IBGZPJMESA-N 2 0 347.503 1.716 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000878168739 597583711 /nfs/dbraw/zinc/58/37/11/597583711.db2.gz GEHAWWDPWVWLPW-SFHVURJKSA-N 2 0 331.460 1.179 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOC(F)(F)F)CC1 ZINC000878229988 597588406 /nfs/dbraw/zinc/58/84/06/597588406.db2.gz CETXNLJRXZPSEP-UHFFFAOYSA-N 2 0 325.375 1.303 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H]1CC2(CO1)CCOCC2 ZINC000878288529 597592784 /nfs/dbraw/zinc/59/27/84/597592784.db2.gz YIIXGDLYBNUWTM-BRSBDYLESA-N 2 0 338.492 1.756 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H]1CCC2(CCOCC2)CO1 ZINC000878315929 597594886 /nfs/dbraw/zinc/59/48/86/597594886.db2.gz YFQHOMWOGRPJHH-GOSISDBHSA-N 2 0 339.524 1.532 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000878377640 597598359 /nfs/dbraw/zinc/59/83/59/597598359.db2.gz VHFRBLHYBWFQNN-UHFFFAOYSA-N 2 0 333.476 1.470 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000881633629 597666557 /nfs/dbraw/zinc/66/65/57/597666557.db2.gz ZOAZCIQLLOTOGA-CVEARBPZSA-N 2 0 332.448 1.087 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883172533 597676872 /nfs/dbraw/zinc/67/68/72/597676872.db2.gz KPDBUZYCPUTYMG-QZTJIDSGSA-N 2 0 327.513 1.435 20 0 EDADRP C[C@H](C[N@H+](C)CC(=O)NC1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000878706303 597685104 /nfs/dbraw/zinc/68/51/04/597685104.db2.gz VOAOYHSJQSTFON-CYBMUJFWSA-N 2 0 327.469 1.106 20 0 EDADRP C[N@@H+]1CCC[C@@H](c2cccc(C(=O)N[C@H](CO)C[NH+]3CCCC3)c2)C1 ZINC000879990687 597799942 /nfs/dbraw/zinc/79/99/42/597799942.db2.gz FTDGSOGKVJSMGP-MOPGFXCFSA-N 2 0 345.487 1.682 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883585700 597814204 /nfs/dbraw/zinc/81/42/04/597814204.db2.gz VTGKDUYFQVBZGY-JCGIZDLHSA-N 2 0 343.475 1.843 20 0 EDADRP COCC[N@H+](CCC(=O)N1CCC[C@@H]1C)CC1CC[NH+](C)CC1 ZINC000879124804 597826975 /nfs/dbraw/zinc/82/69/75/597826975.db2.gz DLUVGDALNHNJOJ-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP COCC[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CCCN(C(C)C)C1=O ZINC000879125072 597827149 /nfs/dbraw/zinc/82/71/49/597827149.db2.gz NXDKVPAHWBZFKS-QGZVFWFLSA-N 2 0 325.497 1.676 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(CC(=O)NC2CC[NH+](C)CC2)CC1 ZINC000879210112 597849390 /nfs/dbraw/zinc/84/93/90/597849390.db2.gz SHNRWWZLYBMFDR-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000882378494 597951028 /nfs/dbraw/zinc/95/10/28/597951028.db2.gz AOFWBULACKKUDT-UHFFFAOYSA-N 2 0 347.503 1.860 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000133256234 597953484 /nfs/dbraw/zinc/95/34/84/597953484.db2.gz KWPNHCHDCQOCNZ-HNNXBMFYSA-N 2 0 336.505 1.874 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884014577 597968692 /nfs/dbraw/zinc/96/86/92/597968692.db2.gz QTOYZBVXVNMULJ-UHFFFAOYSA-N 2 0 339.443 1.853 20 0 EDADRP C[NH2+]CC1CCN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884027979 597972224 /nfs/dbraw/zinc/97/22/24/597972224.db2.gz SZMPUQOKDMAENB-AWEZNQCLSA-N 2 0 340.265 1.907 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000884037530 597974528 /nfs/dbraw/zinc/97/45/28/597974528.db2.gz CKJOQDJPCPYILC-UHFFFAOYSA-N 2 0 331.460 1.889 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CCO1 ZINC000884042838 597976513 /nfs/dbraw/zinc/97/65/13/597976513.db2.gz JITGIKHUFTVPAV-XDTLVQLUSA-N 2 0 342.237 1.024 20 0 EDADRP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C(F)F)nc2ncnn21 ZINC000882580643 597997817 /nfs/dbraw/zinc/99/78/17/597997817.db2.gz DHWNVBOARHLOBE-NSHDSACASA-N 2 0 341.410 1.746 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884192247 598021053 /nfs/dbraw/zinc/02/10/53/598021053.db2.gz AGDSVVQOECKZTJ-CXAGYDPISA-N 2 0 327.428 1.903 20 0 EDADRP C[NH2+][C@@H](CC(C)C)C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000884206539 598028779 /nfs/dbraw/zinc/02/87/79/598028779.db2.gz XUHJFDRIAWAZAK-BZSNNMDCSA-N 2 0 338.540 1.638 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH2+]CC2(C)C)[C@H](C)C1 ZINC000884220884 598033470 /nfs/dbraw/zinc/03/34/70/598033470.db2.gz DPGRQTZURDOPDW-OAGGEKHMSA-N 2 0 325.497 1.485 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884305901 598060000 /nfs/dbraw/zinc/06/00/00/598060000.db2.gz MGSBPTKYQKIYKA-UHFFFAOYSA-N 2 0 333.480 1.151 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3C[C@H]([NH3+])C3(C)C)ccc2[nH]c1=O ZINC000884365404 598082243 /nfs/dbraw/zinc/08/22/43/598082243.db2.gz INXIVAHXQLXKKX-LSDHHAIUSA-N 2 0 345.447 1.159 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000884365078 598082419 /nfs/dbraw/zinc/08/24/19/598082419.db2.gz DBVDHGZABPODHG-GRYCIOLGSA-N 2 0 326.238 1.691 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000884401195 598093687 /nfs/dbraw/zinc/09/36/87/598093687.db2.gz HJDDYUSAQPEQBM-SJORKVTESA-N 2 0 331.460 1.115 20 0 EDADRP CCC(CC)[C@H](CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)[NH+](C)C ZINC000914406715 695391116 /nfs/dbraw/zinc/39/11/16/695391116.db2.gz NJGPBCAUBFFZON-IRXDYDNUSA-N 2 0 345.553 1.758 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3ccns3)[C@H]2C1 ZINC000992914929 695451197 /nfs/dbraw/zinc/45/11/97/695451197.db2.gz HKMOTLAURBWXCC-XIRDDKMYSA-N 2 0 348.516 1.956 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000915566814 695947750 /nfs/dbraw/zinc/94/77/50/695947750.db2.gz GCEAOASHYNSUNM-BBWFWOEESA-N 2 0 341.521 1.361 20 0 EDADRP C[C@@H]1[C@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccon1 ZINC000993927384 696446913 /nfs/dbraw/zinc/44/69/13/696446913.db2.gz LWSSPKVJZFZGNI-RHSMWYFYSA-N 2 0 334.464 1.876 20 0 EDADRP Cc1ncsc1CC[NH+]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015707071 696609379 /nfs/dbraw/zinc/60/93/79/696609379.db2.gz ZGLCUZSAACXSIC-HIFRSBDPSA-N 2 0 336.505 1.526 20 0 EDADRP Cc1nccnc1CN1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H]1C ZINC000994256935 696662581 /nfs/dbraw/zinc/66/25/81/696662581.db2.gz RWBNXXFZAVXPRW-CVEARBPZSA-N 2 0 343.475 1.350 20 0 EDADRP C[C@@H]1[C@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000994404700 696827487 /nfs/dbraw/zinc/82/74/87/696827487.db2.gz GRPOGXCYVAODGS-VQIMIIECSA-N 2 0 345.487 1.744 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)n1 ZINC000994406003 696829194 /nfs/dbraw/zinc/82/91/94/696829194.db2.gz JYNOXXKCGXAKJX-MSOLQXFVSA-N 2 0 347.507 1.565 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940008700 700110785 /nfs/dbraw/zinc/11/07/85/700110785.db2.gz YRIDEKLCXZYWOH-MRXNPFEDSA-N 2 0 334.439 1.786 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(CC[C@@H]3CCc4ccccc43)C2)C1 ZINC001031382586 697000979 /nfs/dbraw/zinc/00/09/79/697000979.db2.gz YRCDJKHKLZMIHP-IRXDYDNUSA-N 2 0 327.472 1.859 20 0 EDADRP Cc1nc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000917359656 697008370 /nfs/dbraw/zinc/00/83/70/697008370.db2.gz JJASYAMCKUAMFI-UHFFFAOYSA-N 2 0 326.510 1.726 20 0 EDADRP COC[C@H](C)[NH+]1CCC2(CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)CC1 ZINC001040848490 697339169 /nfs/dbraw/zinc/33/91/69/697339169.db2.gz JSXAGXLURAGUMP-SJORKVTESA-N 2 0 337.508 1.678 20 0 EDADRP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675458 697485268 /nfs/dbraw/zinc/48/52/68/697485268.db2.gz IYKNSKWVFBDSFM-FQEVSTJZSA-N 2 0 341.499 1.927 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCCCO3)C2)CC1 ZINC001032094819 698602279 /nfs/dbraw/zinc/60/22/79/698602279.db2.gz OYERVFCRVKHVEI-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941475743 701551602 /nfs/dbraw/zinc/55/16/02/701551602.db2.gz YTBKWQXXOGYMDW-UHFFFAOYSA-N 2 0 345.422 1.136 20 0 EDADRP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)cc1 ZINC001031771689 699093347 /nfs/dbraw/zinc/09/33/47/699093347.db2.gz GIIZGVBJNGEYPB-LJQANCHMSA-N 2 0 345.487 1.906 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939063222 699106590 /nfs/dbraw/zinc/10/65/90/699106590.db2.gz BYHVEQPNKJSLOT-KDOFPFPSSA-N 2 0 347.507 1.278 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054325 699114493 /nfs/dbraw/zinc/11/44/93/699114493.db2.gz IBWIYAQEXWQTIF-SUMWQHHRSA-N 2 0 334.464 1.515 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054509 699114690 /nfs/dbraw/zinc/11/46/90/699114690.db2.gz KDWXZZBYRAVQBO-YOEHRIQHSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939063545 699130352 /nfs/dbraw/zinc/13/03/52/699130352.db2.gz IGFIAVQCXQXRMK-CXAGYDPISA-N 2 0 331.464 1.063 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)sn1 ZINC000939063433 699130466 /nfs/dbraw/zinc/13/04/66/699130466.db2.gz GEJPWYSPFSSCKB-BLLLJJGKSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)ncn1 ZINC000939064253 699131412 /nfs/dbraw/zinc/13/14/12/699131412.db2.gz SYNANORFGLTUQF-CXAGYDPISA-N 2 0 331.464 1.063 20 0 EDADRP CN(CN1C(=O)[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1=O)C1CCCC1 ZINC000183275473 701573524 /nfs/dbraw/zinc/57/35/24/701573524.db2.gz CCLKECKSZMTKRX-HDICACEKSA-N 2 0 341.455 1.935 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C1 ZINC000941606878 701594760 /nfs/dbraw/zinc/59/47/60/701594760.db2.gz GIUDHAVFWMTJBN-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939398787 699548067 /nfs/dbraw/zinc/54/80/67/699548067.db2.gz RCMQWLTXKHEHDA-PBHICJAKSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1nccs1 ZINC000939398917 699548353 /nfs/dbraw/zinc/54/83/53/699548353.db2.gz SUBJOVKPWMXICQ-HUUCEWRRSA-N 2 0 336.505 1.812 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)cn1 ZINC000939543262 699684244 /nfs/dbraw/zinc/68/42/44/699684244.db2.gz BQHQBSSNWHWYNK-GOEBONIOSA-N 2 0 344.459 1.123 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939546464 699688472 /nfs/dbraw/zinc/68/84/72/699688472.db2.gz SOOZTIGGXNYHBG-WMLDXEAASA-N 2 0 328.460 1.422 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939546802 699688938 /nfs/dbraw/zinc/68/89/38/699688938.db2.gz UAQHLLYQSZINCL-DZGCQCFKSA-N 2 0 348.878 1.767 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)c3c[nH+]ccc3N(C)C)C[C@H]2C)on1 ZINC000939550020 699698837 /nfs/dbraw/zinc/69/88/37/699698837.db2.gz GBSZDNCCWSWCRA-WBMJQRKESA-N 2 0 343.431 1.694 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939552239 699701905 /nfs/dbraw/zinc/70/19/05/699701905.db2.gz WDPHRLAVYUANKZ-PBHICJAKSA-N 2 0 339.443 1.793 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cccnc1 ZINC000939552241 699702025 /nfs/dbraw/zinc/70/20/25/699702025.db2.gz WDPHRLAVYUANKZ-WMLDXEAASA-N 2 0 339.443 1.793 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCCC3)CC2)C1 ZINC000941677075 701615762 /nfs/dbraw/zinc/61/57/62/701615762.db2.gz JWNOUZQPANSCHO-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003675 699888615 /nfs/dbraw/zinc/88/86/15/699888615.db2.gz BUVYQBUPEJHLPL-JKSUJKDBSA-N 2 0 345.491 1.423 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C)on1 ZINC000939808584 699957512 /nfs/dbraw/zinc/95/75/12/699957512.db2.gz FNHGSNFTPXGGMH-WMLDXEAASA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939811826 699959683 /nfs/dbraw/zinc/95/96/83/699959683.db2.gz UZBWKHQTNXLIJR-AEFFLSMTSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000940148929 700281572 /nfs/dbraw/zinc/28/15/72/700281572.db2.gz GWKCQHRSIZOJQP-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1)[NH+](C)C ZINC000940163165 700297537 /nfs/dbraw/zinc/29/75/37/700297537.db2.gz WJFBBGVASFULRD-HOTGVXAUSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)o1 ZINC000995053730 700401498 /nfs/dbraw/zinc/40/14/98/700401498.db2.gz ICQGMCHEQLABJI-CABCVRRESA-N 2 0 349.479 1.627 20 0 EDADRP Cn1cnnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995056391 700406172 /nfs/dbraw/zinc/40/61/72/700406172.db2.gz RBJSUVIBNCXIPR-GJZGRUSLSA-N 2 0 348.495 1.064 20 0 EDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995057771 700434907 /nfs/dbraw/zinc/43/49/07/700434907.db2.gz WFHCSEXNOWJOIO-HOTGVXAUSA-N 2 0 347.507 1.669 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)C1 ZINC000940277226 700444123 /nfs/dbraw/zinc/44/41/23/700444123.db2.gz KENOWGSBWBDYJE-HNNXBMFYSA-N 2 0 349.479 1.662 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000940296285 700468307 /nfs/dbraw/zinc/46/83/07/700468307.db2.gz IJJLARIVUVFCPG-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cscn2)CC1 ZINC000940327610 700504781 /nfs/dbraw/zinc/50/47/81/700504781.db2.gz KQUYDZREIKGIKV-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1 ZINC000940328910 700507568 /nfs/dbraw/zinc/50/75/68/700507568.db2.gz NDVXCROVZYENCJ-CYBMUJFWSA-N 2 0 337.493 1.493 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000940328941 700508031 /nfs/dbraw/zinc/50/80/31/700508031.db2.gz OCSZDUOAHRTMDX-CYBMUJFWSA-N 2 0 335.452 1.191 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)cn1 ZINC000940329570 700508954 /nfs/dbraw/zinc/50/89/54/700508954.db2.gz VLRZAEAJXCATGH-MRXNPFEDSA-N 2 0 345.491 1.740 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)cn1 ZINC000940329700 700509738 /nfs/dbraw/zinc/50/97/38/700509738.db2.gz XNFHKSXGDQIFTE-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP CCc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995169528 701649186 /nfs/dbraw/zinc/64/91/86/701649186.db2.gz UOGUHKVIHIXRLC-HUUCEWRRSA-N 2 0 346.475 1.707 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426560 700620402 /nfs/dbraw/zinc/62/04/02/700620402.db2.gz WYJQNXHJLCKITI-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)no1 ZINC000995077482 700660615 /nfs/dbraw/zinc/66/06/15/700660615.db2.gz HIOZXQSLQQCSEH-GDBMZVCRSA-N 2 0 334.464 1.699 20 0 EDADRP Cc1cncc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)c1 ZINC000940461781 700665135 /nfs/dbraw/zinc/66/51/35/700665135.db2.gz KMWYILSPPBCPJM-UHFFFAOYSA-N 2 0 330.476 1.957 20 0 EDADRP Cc1conc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169847 701668059 /nfs/dbraw/zinc/66/80/59/701668059.db2.gz VDPIBXZOJMAKEA-LSDHHAIUSA-N 2 0 332.448 1.453 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)C2)o1 ZINC000995099834 700885968 /nfs/dbraw/zinc/88/59/68/700885968.db2.gz APNGYFPTYHDRCC-HUUCEWRRSA-N 2 0 349.479 1.484 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867611 700948591 /nfs/dbraw/zinc/94/85/91/700948591.db2.gz GAIDYDMZBINYJW-CJNGLKHVSA-N 2 0 330.432 1.545 20 0 EDADRP Cc1c(C(=O)N[C@H]2CC[N@H+](CCCO)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852765 700952864 /nfs/dbraw/zinc/95/28/64/700952864.db2.gz DFQKECKNEHCVSH-KRWDZBQOSA-N 2 0 344.459 1.855 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901852 700976906 /nfs/dbraw/zinc/97/69/06/700976906.db2.gz RFLNYDQTBLILJE-ZEVUXNIQSA-N 2 0 349.519 1.722 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CCc3cnn(C)c3)C2)C1 ZINC001031919273 701043934 /nfs/dbraw/zinc/04/39/34/701043934.db2.gz QKRQPEHMQUARGY-SFHVURJKSA-N 2 0 347.507 1.133 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H]1CC[NH+](Cc2cncn2C)CC1(C)C ZINC000941033710 701077122 /nfs/dbraw/zinc/07/71/22/701077122.db2.gz SNCVTSXKJOREFC-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167011 701377858 /nfs/dbraw/zinc/37/78/58/701377858.db2.gz OPKORRAFUNBVLB-JKSUJKDBSA-N 2 0 335.492 1.335 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3occc3C[NH+](C)C)C2)O1 ZINC001031931403 701380038 /nfs/dbraw/zinc/38/00/38/701380038.db2.gz IROQSYDUZPXBBN-XJKSGUPXSA-N 2 0 335.448 1.570 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031931540 701381171 /nfs/dbraw/zinc/38/11/71/701381171.db2.gz KNXCWOQRMFFBAO-KRWDZBQOSA-N 2 0 349.475 1.962 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[NH+](CCOC3CCC3)CC2(C)C)C1 ZINC000941217394 701403819 /nfs/dbraw/zinc/40/38/19/701403819.db2.gz NRBCSENZKCKNJO-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH+]2CC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C(C)(C)C2)on1 ZINC000941218183 701408847 /nfs/dbraw/zinc/40/88/47/701408847.db2.gz WWTJAMBUXVUXKU-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941408944 701521254 /nfs/dbraw/zinc/52/12/54/701521254.db2.gz ZLRPHDUFTJLXRX-MSOLQXFVSA-N 2 0 346.519 1.099 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999173616 706604880 /nfs/dbraw/zinc/60/48/80/706604880.db2.gz KLKSGUFWGSGQFC-MSOLQXFVSA-N 2 0 343.475 1.207 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC001031949463 701525546 /nfs/dbraw/zinc/52/55/46/701525546.db2.gz SUBNSQIVAFMWGK-SFHVURJKSA-N 2 0 349.450 1.249 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941438000 701540706 /nfs/dbraw/zinc/54/07/06/701540706.db2.gz HXVDWRUQHJVSLN-OAHLLOKOSA-N 2 0 340.487 1.047 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031976707 701972930 /nfs/dbraw/zinc/97/29/30/701972930.db2.gz RABYLZCJYVMEEM-QAPCUYQASA-N 2 0 331.460 1.311 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC000999188908 706630599 /nfs/dbraw/zinc/63/05/99/706630599.db2.gz FQKLQDVOVFKCGR-BFYDXBDKSA-N 2 0 331.464 1.206 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccc3c(c2)COC3)C1 ZINC001031978167 701993158 /nfs/dbraw/zinc/99/31/58/701993158.db2.gz PUMQXESJYHJWDV-IFXJQAMLSA-N 2 0 343.471 1.463 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995892750 702193019 /nfs/dbraw/zinc/19/30/19/702193019.db2.gz GEZSYGFQBJPVHT-HOTGVXAUSA-N 2 0 334.464 1.650 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995892843 702193556 /nfs/dbraw/zinc/19/35/56/702193556.db2.gz GIEHPDDSIBXIBU-HNNXBMFYSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995898518 702203314 /nfs/dbraw/zinc/20/33/14/702203314.db2.gz UZKCUGNANDXUQE-SJORKVTESA-N 2 0 348.491 1.958 20 0 EDADRP COc1cccc(OCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182564 702203840 /nfs/dbraw/zinc/20/38/40/702203840.db2.gz NPZPHXWHYIDAAJ-MRXNPFEDSA-N 2 0 347.459 1.074 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995917501 702235839 /nfs/dbraw/zinc/23/58/39/702235839.db2.gz VNFDHHZSJLNWSK-IAGOWNOFSA-N 2 0 347.507 1.584 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995920748 702242452 /nfs/dbraw/zinc/24/24/52/702242452.db2.gz UZYPNUAFLHJXTQ-INIZCTEOSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C(C)(C)C1)[NH+](C)C ZINC000995944234 702289197 /nfs/dbraw/zinc/28/91/97/702289197.db2.gz AXSAKKPRJHBOQT-KZNAEPCWSA-N 2 0 347.503 1.887 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995946120 702292488 /nfs/dbraw/zinc/29/24/88/702292488.db2.gz GLFGCAUWFILAEO-HZPDHXFCSA-N 2 0 336.480 1.904 20 0 EDADRP Cc1ccc(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032186225 702319188 /nfs/dbraw/zinc/31/91/88/702319188.db2.gz LJKWIXMNVMKNLC-KRWDZBQOSA-N 2 0 331.460 1.374 20 0 EDADRP CCn1ncnc1CN[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC000995973945 702359425 /nfs/dbraw/zinc/35/94/25/702359425.db2.gz GLOZORAPBQVPAR-GJZGRUSLSA-N 2 0 348.495 1.109 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3CC)C2)CC[N@@H+]1C ZINC000999211231 706663991 /nfs/dbraw/zinc/66/39/91/706663991.db2.gz XQAULDCCNSCOFR-YESZJQIVSA-N 2 0 347.507 1.714 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944169113 702410365 /nfs/dbraw/zinc/41/03/65/702410365.db2.gz MDTKDBJFDCJHFZ-GOEBONIOSA-N 2 0 343.475 1.207 20 0 EDADRP C[C@@H]1CN(Cc2cscn2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944171101 702415891 /nfs/dbraw/zinc/41/58/91/702415891.db2.gz WHJZIDIHZJQQRO-HIFRSBDPSA-N 2 0 334.489 1.566 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC1(C)C)C(N)=O ZINC000996044527 702438862 /nfs/dbraw/zinc/43/88/62/702438862.db2.gz TWNNIVNPYISALH-LSDHHAIUSA-N 2 0 343.431 1.038 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]C[C@H]3CCCCO3)C(C)(C)C2)CC1 ZINC000996220841 702632079 /nfs/dbraw/zinc/63/20/79/702632079.db2.gz GFJFJLXZXGLEDL-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]Cc2cnns2)C(C)(C)C1)[NH+](C)C ZINC000996250162 702652235 /nfs/dbraw/zinc/65/22/35/702652235.db2.gz VDJFARVOINYHMI-UONOGXRCSA-N 2 0 339.509 1.451 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300219 702691976 /nfs/dbraw/zinc/69/19/76/702691976.db2.gz KJNCVSLUJWALQV-RDJZCZTQSA-N 2 0 347.507 1.131 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccn(CC)n2)C(C)(C)C1)[NH+](C)C ZINC000996316121 702704081 /nfs/dbraw/zinc/70/40/81/702704081.db2.gz XMHGASWBDYRWOL-JKSUJKDBSA-N 2 0 335.496 1.570 20 0 EDADRP CC[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001032675802 706694979 /nfs/dbraw/zinc/69/49/79/706694979.db2.gz PEHOBGQGWQFUFH-PVAVHDDUSA-N 2 0 333.480 1.390 20 0 EDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942260240 702769782 /nfs/dbraw/zinc/76/97/82/702769782.db2.gz XXTXUALOYNBGBH-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)[nH]1 ZINC000996500593 702839766 /nfs/dbraw/zinc/83/97/66/702839766.db2.gz HBLDKQOFWNQBRG-GOEBONIOSA-N 2 0 346.479 1.068 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996514923 702850119 /nfs/dbraw/zinc/85/01/19/702850119.db2.gz OEBAGVIADBENOU-DOTOQJQBSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)nn1C ZINC000996608769 702912077 /nfs/dbraw/zinc/91/20/77/702912077.db2.gz HNOYBKQBCPYNRG-ZBFHGGJFSA-N 2 0 333.480 1.007 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665256 702967819 /nfs/dbraw/zinc/96/78/19/702967819.db2.gz AQXFTLDAXRNIHR-SJORKVTESA-N 2 0 347.507 1.621 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996722060 703017156 /nfs/dbraw/zinc/01/71/56/703017156.db2.gz INLLKCBTDRHWKS-KRWDZBQOSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000996722508 703017726 /nfs/dbraw/zinc/01/77/26/703017726.db2.gz ISLUHMJPOGXHOP-QGZVFWFLSA-N 2 0 334.464 1.856 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996731166 703028122 /nfs/dbraw/zinc/02/81/22/703028122.db2.gz VGJFKTOGWVJBAJ-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1conc1C[NH2+]C1CCN(C(=O)[C@H]2CCc3nccn3C2)CC1 ZINC000996740192 703035665 /nfs/dbraw/zinc/03/56/65/703035665.db2.gz STNROKHOYSXROM-AWEZNQCLSA-N 2 0 343.431 1.523 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)cn1 ZINC000996771839 703062013 /nfs/dbraw/zinc/06/20/13/703062013.db2.gz UZWGLYHGIXZHDM-UHFFFAOYSA-N 2 0 343.475 1.494 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)nn1C ZINC000996772698 703062636 /nfs/dbraw/zinc/06/26/36/703062636.db2.gz YNYQJLZWDOZNMM-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP Cc1ccnc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000942596613 703110871 /nfs/dbraw/zinc/11/08/71/703110871.db2.gz CVHJODJMMBGLEJ-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP O=C(N1C[C@@H](C[NH2+]CC2CC2)[C@H](C(F)(F)F)C1)C12CC[NH+](CC1)C2 ZINC000996853393 703131909 /nfs/dbraw/zinc/13/19/09/703131909.db2.gz CMARXJMVQKNNOA-ZIAGYGMSSA-N 2 0 345.409 1.719 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000996924924 703198858 /nfs/dbraw/zinc/19/88/58/703198858.db2.gz XIPHFTZOMZKNBG-RDJZCZTQSA-N 2 0 347.507 1.274 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001032042624 703204010 /nfs/dbraw/zinc/20/40/10/703204010.db2.gz GWWRNYVKXDVWPD-QZTJIDSGSA-N 2 0 345.491 1.028 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000996965190 703225731 /nfs/dbraw/zinc/22/57/31/703225731.db2.gz MXGBXNVFKVZHIH-CQSZACIVSA-N 2 0 325.482 1.205 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)o1 ZINC000996964353 703232415 /nfs/dbraw/zinc/23/24/15/703232415.db2.gz JQQRPKOLFZAEQK-IUODEOHRSA-N 2 0 337.468 1.606 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccccn2)CC1 ZINC000996979147 703234618 /nfs/dbraw/zinc/23/46/18/703234618.db2.gz LUNXQVCABMYUGQ-CRAIPNDOSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000996996966 703260672 /nfs/dbraw/zinc/26/06/72/703260672.db2.gz AXWPSISUJLUTTE-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000997008951 703260956 /nfs/dbraw/zinc/26/09/56/703260956.db2.gz NJVGAYKOKMKRLU-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC000997008561 703266755 /nfs/dbraw/zinc/26/67/55/703266755.db2.gz VOVGXBBBGDMXTF-HUUCEWRRSA-N 2 0 331.464 1.460 20 0 EDADRP CCOc1cccc(C[NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)n1 ZINC000997009888 703270545 /nfs/dbraw/zinc/27/05/45/703270545.db2.gz PNUYQQHXDOZNSQ-KRWDZBQOSA-N 2 0 348.491 1.901 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997013224 703272766 /nfs/dbraw/zinc/27/27/66/703272766.db2.gz ZDQIIAGKDNPYRX-RISCZKNCSA-N 2 0 337.493 1.125 20 0 EDADRP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997094756 703333654 /nfs/dbraw/zinc/33/36/54/703333654.db2.gz UMIGVRDAFWDHMQ-IAGOWNOFSA-N 2 0 343.475 1.574 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC[C@@H]3CCOC3)CC2)CC1 ZINC000997115292 703368879 /nfs/dbraw/zinc/36/88/79/703368879.db2.gz LQIWOCKQHIXEIK-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000997122041 703377569 /nfs/dbraw/zinc/37/75/69/703377569.db2.gz SPIXFEHEMBAXDC-CYBMUJFWSA-N 2 0 339.505 1.632 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@@H]1CCCOC1)[NH+]1CCCCC1 ZINC001032404278 703424089 /nfs/dbraw/zinc/42/40/89/703424089.db2.gz DHHMQQRVXKXYHK-BZSNNMDCSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)n1 ZINC001032409040 703438403 /nfs/dbraw/zinc/43/84/03/703438403.db2.gz VFBNULIXFIVSEB-HOTGVXAUSA-N 2 0 331.464 1.144 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000997181930 703467009 /nfs/dbraw/zinc/46/70/09/703467009.db2.gz COUBRNXPQBCDQB-OAHLLOKOSA-N 2 0 348.495 1.281 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997185072 703473794 /nfs/dbraw/zinc/47/37/94/703473794.db2.gz PFPKLRFTRWZCGG-CYBMUJFWSA-N 2 0 329.435 1.954 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997301329 703544725 /nfs/dbraw/zinc/54/47/25/703544725.db2.gz DXBZZPWEUAZNSN-UHFFFAOYSA-N 2 0 331.464 1.006 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000997359826 703590337 /nfs/dbraw/zinc/59/03/37/703590337.db2.gz KJXQCSBUUKUWTC-HOTGVXAUSA-N 2 0 347.507 1.856 20 0 EDADRP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC001032444126 703621162 /nfs/dbraw/zinc/62/11/62/703621162.db2.gz LSCYTKHGKMDIOY-BZSNNMDCSA-N 2 0 335.492 1.715 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC1CCOCC1)C1CCC1 ZINC001032448194 703623390 /nfs/dbraw/zinc/62/33/90/703623390.db2.gz MZRVFYPLKMZPDE-OALUTQOASA-N 2 0 349.519 1.963 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1CN2CCc1ccns1)C12CCC[NH+]1CCC2 ZINC001032498075 703795774 /nfs/dbraw/zinc/79/57/74/703795774.db2.gz GRCDXALAEONKCX-GJZGRUSLSA-N 2 0 346.500 1.599 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997615481 703914822 /nfs/dbraw/zinc/91/48/22/703914822.db2.gz XGZGUXDXXHOWSX-DOTOQJQBSA-N 2 0 325.497 1.460 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000997636238 703937659 /nfs/dbraw/zinc/93/76/59/703937659.db2.gz MHRMOFIFQPDXDW-HOTGVXAUSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997642527 703948836 /nfs/dbraw/zinc/94/88/36/703948836.db2.gz RAOLMRJSTLZOFA-FUHWJXTLSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000997644126 703951473 /nfs/dbraw/zinc/95/14/73/703951473.db2.gz DPNNTBQNRGEGBT-SFHVURJKSA-N 2 0 346.475 1.049 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553723 703965485 /nfs/dbraw/zinc/96/54/85/703965485.db2.gz SVEJZKWSUKXYQG-TZMCWYRMSA-N 2 0 337.493 1.267 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1)C1CC1 ZINC000922810247 704377613 /nfs/dbraw/zinc/37/76/13/704377613.db2.gz OPGWLBUPRTVBKU-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([C@H]2CCC[N@@H+]2CCCO)CC1)C1CC1 ZINC001004457351 704450643 /nfs/dbraw/zinc/45/06/43/704450643.db2.gz KEIQMLWSHLGHME-QZTJIDSGSA-N 2 0 337.508 1.412 20 0 EDADRP C[C@H](O)C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997728479 704621283 /nfs/dbraw/zinc/62/12/83/704621283.db2.gz HCUUQEZWIDVHDT-JKQORVJESA-N 2 0 325.497 1.314 20 0 EDADRP COCC[NH+]1CCC([C@H](C)NC(=O)c2occc2C[NH+](C)C)CC1 ZINC000997733671 704632409 /nfs/dbraw/zinc/63/24/09/704632409.db2.gz BROCUNPLFGFWNP-AWEZNQCLSA-N 2 0 337.464 1.818 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C[C@H]2C)o1 ZINC000947936660 704667843 /nfs/dbraw/zinc/66/78/43/704667843.db2.gz XLJDWAITWXJAPU-CJNGLKHVSA-N 2 0 346.475 1.856 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000997784932 704688730 /nfs/dbraw/zinc/68/87/30/704688730.db2.gz FQTOMGVYQZLVTN-RHSMWYFYSA-N 2 0 348.491 1.960 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC000997794180 704702409 /nfs/dbraw/zinc/70/24/09/704702409.db2.gz XMYIANIUIILOAU-DLBZAZTESA-N 2 0 347.507 1.479 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@H]2CCCCO2)CC1)C1CCC1 ZINC000997831647 704749755 /nfs/dbraw/zinc/74/97/55/704749755.db2.gz WQWNQUFIYCANDZ-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000997832073 704750436 /nfs/dbraw/zinc/75/04/36/704750436.db2.gz YIAHTOQYBNMXNQ-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997830702 704751102 /nfs/dbraw/zinc/75/11/02/704751102.db2.gz MJBCCEBOMXZPSX-INIZCTEOSA-N 2 0 335.452 1.046 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)cn1 ZINC000997831096 704751379 /nfs/dbraw/zinc/75/13/79/704751379.db2.gz QGANJWFGOZJFIT-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP CC[C@@H](C[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1)OC ZINC000997835954 704753449 /nfs/dbraw/zinc/75/34/49/704753449.db2.gz DTALMCMKONRTDC-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)[NH+](C)C ZINC000997854544 704766612 /nfs/dbraw/zinc/76/66/12/704766612.db2.gz FYTJAXGAXNJXLY-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918448 704769722 /nfs/dbraw/zinc/76/97/22/704769722.db2.gz JCBXWTUIZYOTMJ-VQIMIIECSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997867634 704773116 /nfs/dbraw/zinc/77/31/16/704773116.db2.gz QEVOKPNCHAEVAD-GUYCJALGSA-N 2 0 348.491 1.960 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946205 704798924 /nfs/dbraw/zinc/79/89/24/704798924.db2.gz VJAKILAEJZJRRJ-RDJZCZTQSA-N 2 0 346.475 1.513 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997942736 705060762 /nfs/dbraw/zinc/06/07/62/705060762.db2.gz KXXHTZKSJPCKOK-IEBWSBKVSA-N 2 0 349.519 1.726 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2ccnn2C)CC1 ZINC000997951136 705077954 /nfs/dbraw/zinc/07/79/54/705077954.db2.gz VOBRTZRTZSYJDB-WMZOPIPTSA-N 2 0 347.507 1.717 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998080876 705300759 /nfs/dbraw/zinc/30/07/59/705300759.db2.gz FFLHRNOUTCGQLP-ZBFHGGJFSA-N 2 0 331.464 1.003 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000998081196 705301190 /nfs/dbraw/zinc/30/11/90/705301190.db2.gz GSHBPQNMHXFSQX-ZFWWWQNUSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998082134 705308565 /nfs/dbraw/zinc/30/85/65/705308565.db2.gz NRATUYWIPSOBGQ-VQIMIIECSA-N 2 0 344.503 1.916 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CC(C)(C)CO2)CC1)[NH+](C)C ZINC000998085421 705316846 /nfs/dbraw/zinc/31/68/46/705316846.db2.gz FYPAMQFECNYQLU-IRXDYDNUSA-N 2 0 339.524 1.970 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC000998224129 705552882 /nfs/dbraw/zinc/55/28/82/705552882.db2.gz YEFSWUUXVWAZSG-FXAWDEMLSA-N 2 0 347.503 1.337 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000998265260 705632275 /nfs/dbraw/zinc/63/22/75/705632275.db2.gz KDUCBZPRCQRMFV-INIZCTEOSA-N 2 0 345.491 1.109 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998268825 705645088 /nfs/dbraw/zinc/64/50/88/705645088.db2.gz JRXMVLDPLGJDKS-UHFFFAOYSA-N 2 0 334.464 1.661 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000998270666 705649404 /nfs/dbraw/zinc/64/94/04/705649404.db2.gz XNKWNLMQUSDCGA-ZDUSSCGKSA-N 2 0 335.452 1.363 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)Cn2ccnc2)CC1)c1ncccn1 ZINC000998298389 705701878 /nfs/dbraw/zinc/70/18/78/705701878.db2.gz XDWIMJILWBBXAA-CQSZACIVSA-N 2 0 328.420 1.263 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)C1 ZINC001032627680 705737005 /nfs/dbraw/zinc/73/70/05/705737005.db2.gz FFEKOWLKMFPOIQ-QEJZJMRPSA-N 2 0 327.419 1.659 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998552125 705981454 /nfs/dbraw/zinc/98/14/54/705981454.db2.gz SKUBLMFMUQRSIO-QWFMPGPPSA-N 2 0 331.464 1.003 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000998548256 705983547 /nfs/dbraw/zinc/98/35/47/705983547.db2.gz FKYLHYKKUMNHTI-HTWSVDAQSA-N 2 0 331.460 1.868 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998718992 706150777 /nfs/dbraw/zinc/15/07/77/706150777.db2.gz DPSAWHCLEFSNKY-JKSUJKDBSA-N 2 0 332.448 1.265 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)on1 ZINC000998780244 706221132 /nfs/dbraw/zinc/22/11/32/706221132.db2.gz LFUDAIXTMPLKRO-VMBOVVBDSA-N 2 0 332.448 1.404 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000998781808 706222846 /nfs/dbraw/zinc/22/28/46/706222846.db2.gz XGIWPFZQMTWZNA-ABHNRTSZSA-N 2 0 346.450 1.642 20 0 EDADRP Cn1cc(C[N@H+]2C[C@@H]3CCN(C(=O)[C@H]4CCC[NH+]4C)CC[C@@H]3C2)cn1 ZINC000946518087 706569713 /nfs/dbraw/zinc/56/97/13/706569713.db2.gz OAFRRGDPPGCHHT-FGTMMUONSA-N 2 0 345.491 1.185 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999351605 706864115 /nfs/dbraw/zinc/86/41/15/706864115.db2.gz FBDRXUKBGLAOQN-MSOLQXFVSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999353345 706866729 /nfs/dbraw/zinc/86/67/29/706866729.db2.gz MEEMSFJRIBTQNO-ZWKOTPCHSA-N 2 0 347.507 1.727 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999368944 706882540 /nfs/dbraw/zinc/88/25/40/706882540.db2.gz HVAJGOWFGXJQJI-WBVHZDCISA-N 2 0 334.464 1.658 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999397999 706892384 /nfs/dbraw/zinc/89/23/84/706892384.db2.gz ASERPCQAUNSJHF-CVEARBPZSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@H+]3C)C2)ncn1 ZINC000999401610 706909085 /nfs/dbraw/zinc/90/90/85/706909085.db2.gz PFYNTQHZNZNSMA-AEFFLSMTSA-N 2 0 345.491 1.740 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]Cc2ccns2)C1 ZINC000999409684 706919206 /nfs/dbraw/zinc/91/92/06/706919206.db2.gz RPOGVGKKQJUVGN-UHFFFAOYSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)nn1C ZINC000999595107 707098284 /nfs/dbraw/zinc/09/82/84/707098284.db2.gz FCSJTXOCKZSPNF-INIZCTEOSA-N 2 0 345.491 1.438 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946697359 707144883 /nfs/dbraw/zinc/14/48/83/707144883.db2.gz RQNYJYJNJRCYCP-FGTMMUONSA-N 2 0 335.492 1.024 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000999629762 707154770 /nfs/dbraw/zinc/15/47/70/707154770.db2.gz QGTVMHNKCHBRHZ-UHFFFAOYSA-N 2 0 347.507 1.620 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999681937 707167291 /nfs/dbraw/zinc/16/72/91/707167291.db2.gz LFHVRTWOZRGHEL-FHERZECASA-N 2 0 348.495 1.109 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000999828114 707456570 /nfs/dbraw/zinc/45/65/70/707456570.db2.gz CRDFTSXSIVVZHL-NFOMZHRRSA-N 2 0 336.867 1.766 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N(C)[C@H]2CCC[N@@H+](C(C)C)CC2)C1 ZINC000948706095 707496687 /nfs/dbraw/zinc/49/66/87/707496687.db2.gz UCBUFEKKDFEWFB-DLBZAZTESA-N 2 0 325.497 1.817 20 0 EDADRP O=C([C@H]1CCC[C@@H]2CCC[NH+]21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946818124 707574040 /nfs/dbraw/zinc/57/40/40/707574040.db2.gz FEMXQBGKTMPAML-FCGDIQPGSA-N 2 0 349.519 1.556 20 0 EDADRP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946819171 707584690 /nfs/dbraw/zinc/58/46/90/707584690.db2.gz VPXSXENEOXYKHM-MHORFTMASA-N 2 0 335.492 1.166 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnnn3C)C2)C1 ZINC000999973406 707586007 /nfs/dbraw/zinc/58/60/07/707586007.db2.gz KMNCQYACJQMNIW-CVEARBPZSA-N 2 0 348.495 1.018 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)nn2)C1 ZINC000999989083 707663411 /nfs/dbraw/zinc/66/34/11/707663411.db2.gz ZOLGRFCKLRMFSY-DJIMGWMZSA-N 2 0 348.495 1.281 20 0 EDADRP CC(C)[NH2+][C@H](C)[C@H]1CCCCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC001004952946 707738073 /nfs/dbraw/zinc/73/80/73/707738073.db2.gz IJVSUBMBKAIURV-NVXWUHKLSA-N 2 0 335.496 1.826 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001032733575 707741886 /nfs/dbraw/zinc/74/18/86/707741886.db2.gz BAOQJOBAJKKJEW-ULQDDVLXSA-N 2 0 333.476 1.327 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cnc3n2CCOC3)cc1 ZINC000921693453 707789748 /nfs/dbraw/zinc/78/97/48/707789748.db2.gz DGFXXUHPJJDMLP-UHFFFAOYSA-N 2 0 344.459 1.686 20 0 EDADRP CN(C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033416380 707796038 /nfs/dbraw/zinc/79/60/38/707796038.db2.gz PEOYVVQNFRLRTG-RHSMWYFYSA-N 2 0 329.460 1.114 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422812 707837347 /nfs/dbraw/zinc/83/73/47/707837347.db2.gz LHTMSBRQQGUECY-LPHOPBHVSA-N 2 0 347.503 1.972 20 0 EDADRP C[C@@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004988640 707845425 /nfs/dbraw/zinc/84/54/25/707845425.db2.gz COZUYDQIJMJHQI-HIFRSBDPSA-N 2 0 337.493 1.493 20 0 EDADRP CCn1cc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)nn1 ZINC001004991642 707856179 /nfs/dbraw/zinc/85/61/79/707856179.db2.gz LIJRWXBASXKXQQ-WBVHZDCISA-N 2 0 348.495 1.253 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1nc(Br)c[nH]1 ZINC000921720574 707901578 /nfs/dbraw/zinc/90/15/78/707901578.db2.gz BDTRNDSMNKUYOG-NSHDSACASA-N 2 0 331.258 1.499 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472475 707960378 /nfs/dbraw/zinc/96/03/78/707960378.db2.gz WNSDFAFOPBSEJZ-QZTJIDSGSA-N 2 0 347.507 1.679 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001033508418 707979809 /nfs/dbraw/zinc/97/98/09/707979809.db2.gz MKYPSFZUAQMVPV-QAPCUYQASA-N 2 0 333.476 1.929 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CC(C)(C)CO2)CC1 ZINC001005184999 708112060 /nfs/dbraw/zinc/11/20/60/708112060.db2.gz OLHXWQPQACENTH-DLBZAZTESA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033580720 708261618 /nfs/dbraw/zinc/26/16/18/708261618.db2.gz HOCYETIPLQGDQY-RTBURBONSA-N 2 0 345.487 1.553 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001001772657 708265651 /nfs/dbraw/zinc/26/56/51/708265651.db2.gz NRTBLXYXBUIDFB-INIZCTEOSA-N 2 0 349.475 1.820 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033582418 708265782 /nfs/dbraw/zinc/26/57/82/708265782.db2.gz PCTNTZMRDSEZBK-HZPDHXFCSA-N 2 0 348.491 1.920 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CCO)C1 ZINC001033837635 708866935 /nfs/dbraw/zinc/86/69/35/708866935.db2.gz TXLRVXYDOXAUIQ-SJLPKXTDSA-N 2 0 337.508 1.556 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002445641 708967018 /nfs/dbraw/zinc/96/70/18/708967018.db2.gz UYXMOZCHBAPCJT-LJQANCHMSA-N 2 0 344.503 1.927 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001002476772 709013616 /nfs/dbraw/zinc/01/36/16/709013616.db2.gz UBGUTSKLKHXZOL-UONOGXRCSA-N 2 0 331.407 1.085 20 0 EDADRP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](CCO)C1 ZINC001033951146 709131818 /nfs/dbraw/zinc/13/18/18/709131818.db2.gz BFDZWEOZSUERIQ-SFHVURJKSA-N 2 0 333.476 1.319 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033939814 709145205 /nfs/dbraw/zinc/14/52/05/709145205.db2.gz CPNBZEIVDBVZLF-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCN(Cc2cnc(C)o2)C1 ZINC001034015942 709232725 /nfs/dbraw/zinc/23/27/25/709232725.db2.gz JITLFUVVDBXTRJ-HNNXBMFYSA-N 2 0 332.448 1.502 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002850654 709455493 /nfs/dbraw/zinc/45/54/93/709455493.db2.gz ALDIYNILUKSVJV-CZUORRHYSA-N 2 0 348.491 1.966 20 0 EDADRP O=C(NC1CC[NH+](CCC(F)(F)F)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875097 709482220 /nfs/dbraw/zinc/48/22/20/709482220.db2.gz NGQKDYWJLFQWRB-ZIAGYGMSSA-N 2 0 349.397 1.383 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccsc2)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002873359 709493794 /nfs/dbraw/zinc/49/37/94/709493794.db2.gz BFAZWPJSCZALJY-IRXDYDNUSA-N 2 0 349.500 1.692 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)c1ccn2c[nH+]cc2c1 ZINC000132257984 709830481 /nfs/dbraw/zinc/83/04/81/709830481.db2.gz DQBVDVJTJBNDNE-CQSZACIVSA-N 2 0 328.416 1.565 20 0 EDADRP CC[C@H](C[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1)OC ZINC001034378020 709898818 /nfs/dbraw/zinc/89/88/18/709898818.db2.gz NRFCVDGURJCYIJ-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCCCO3)C2)CC1 ZINC001034378990 709900454 /nfs/dbraw/zinc/90/04/54/709900454.db2.gz ZQIXTGQMSBEZKI-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CCCC[NH+](CCO)C1 ZINC001034481699 710096485 /nfs/dbraw/zinc/09/64/85/710096485.db2.gz WIKZFYWKNAHTLY-SJORKVTESA-N 2 0 325.497 1.604 20 0 EDADRP Cc1nccnc1C[NH+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034489645 710107417 /nfs/dbraw/zinc/10/74/17/710107417.db2.gz HQSDNLXGRPNTKP-DLBZAZTESA-N 2 0 345.491 1.598 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001034491017 710111135 /nfs/dbraw/zinc/11/11/35/710111135.db2.gz OVUSKCFUWXPFEE-DLBZAZTESA-N 2 0 347.507 1.275 20 0 EDADRP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034523864 710171633 /nfs/dbraw/zinc/17/16/33/710171633.db2.gz CELWXKAVVCFDJF-WMZOPIPTSA-N 2 0 330.476 1.812 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034527780 710180845 /nfs/dbraw/zinc/18/08/45/710180845.db2.gz HXNUWUSPTLHTNI-QZTJIDSGSA-N 2 0 337.508 1.870 20 0 EDADRP Cc1noc(CCC[N@@H+]2CCCC[C@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034528501 710182374 /nfs/dbraw/zinc/18/23/74/710182374.db2.gz OFMYQDVLECAUOX-INIZCTEOSA-N 2 0 349.479 1.377 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC001034607883 710264645 /nfs/dbraw/zinc/26/46/45/710264645.db2.gz UTSQPDBUKHUDCI-VGWMRTNUSA-N 2 0 331.464 1.649 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCC[C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001032840099 710289004 /nfs/dbraw/zinc/28/90/04/710289004.db2.gz PSIKCMZBYFKKCQ-XLAORIBOSA-N 2 0 337.508 1.724 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)cn1 ZINC001003375009 710293217 /nfs/dbraw/zinc/29/32/17/710293217.db2.gz GEXMOBQPIWKHBR-SFHVURJKSA-N 2 0 345.491 1.375 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034643511 710319811 /nfs/dbraw/zinc/31/98/11/710319811.db2.gz XJBCXSVKKGSFLJ-BZSNNMDCSA-N 2 0 347.507 1.810 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647327 710323727 /nfs/dbraw/zinc/32/37/27/710323727.db2.gz FHYKGMLRNMDXPI-KLHDSHLOSA-N 2 0 334.464 1.840 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cn(C)nn3)CC2)CC[N@@H+]1C ZINC001034648791 710325556 /nfs/dbraw/zinc/32/55/56/710325556.db2.gz AWSKWAMLGQNJBC-NXNVCVFFSA-N 2 0 348.495 1.062 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC001003493563 710376139 /nfs/dbraw/zinc/37/61/39/710376139.db2.gz WMOPKCOPLXOGER-HOTGVXAUSA-N 2 0 347.507 1.274 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189695 710391266 /nfs/dbraw/zinc/39/12/66/710391266.db2.gz BOYYAMPDQAWUDN-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC001003626507 710455910 /nfs/dbraw/zinc/45/59/10/710455910.db2.gz RDUYBNRHUTXACO-CQSZACIVSA-N 2 0 349.479 1.233 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628501 710458683 /nfs/dbraw/zinc/45/86/83/710458683.db2.gz RBDGSIAXVPEWAS-GUYCJALGSA-N 2 0 329.460 1.160 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](Cc2ccc(CO)cc2)CC1 ZINC001003634391 710461733 /nfs/dbraw/zinc/46/17/33/710461733.db2.gz KAYDEDXOICFHKQ-DNVCBOLYSA-N 2 0 345.487 1.457 20 0 EDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)c1 ZINC001003634446 710462172 /nfs/dbraw/zinc/46/21/72/710462172.db2.gz KLNCJMOPZDVPSA-HNAYVOBHSA-N 2 0 345.487 1.974 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001003636942 710466800 /nfs/dbraw/zinc/46/68/00/710466800.db2.gz YTAOSWOUFSZWFH-XJKSGUPXSA-N 2 0 334.464 1.515 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034659775 710589154 /nfs/dbraw/zinc/58/91/54/710589154.db2.gz ZLYYMOYVTHURCN-TVFCKZIOSA-N 2 0 337.508 1.914 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001034672864 710606988 /nfs/dbraw/zinc/60/69/88/710606988.db2.gz SVKLXSYCRLSHPL-BQFCYCMXSA-N 2 0 345.491 1.786 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034673601 710611971 /nfs/dbraw/zinc/61/19/71/710611971.db2.gz DEZQTEGNZCUHHM-BFYDXBDKSA-N 2 0 348.495 1.299 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCOCC3)CC2)CC1 ZINC001034720676 710871701 /nfs/dbraw/zinc/87/17/01/710871701.db2.gz GIPITDBZZLYCHX-IYARVYRRSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034736970 710947855 /nfs/dbraw/zinc/94/78/55/710947855.db2.gz FSXWUNSCJVZSKY-STECZYCISA-N 2 0 334.464 1.698 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)nn1 ZINC001034738225 710953766 /nfs/dbraw/zinc/95/37/66/710953766.db2.gz RRWNXHPKKOQRTG-BZUAXINKSA-N 2 0 348.495 1.299 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC001034748593 710955411 /nfs/dbraw/zinc/95/54/11/710955411.db2.gz XRIJUIVJYIJOFS-BZSNNMDCSA-N 2 0 337.508 1.772 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)CC1 ZINC001034762404 710999305 /nfs/dbraw/zinc/99/93/05/710999305.db2.gz FDNKPYQJUNZAAX-QAQDUYKDSA-N 2 0 347.507 1.669 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC001003938440 711023312 /nfs/dbraw/zinc/02/33/12/711023312.db2.gz DJRQSWIHEPJFCX-QGZVFWFLSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@H]1C[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC001034793890 711125285 /nfs/dbraw/zinc/12/52/85/711125285.db2.gz TWYWUSYTBTZKGK-MHORFTMASA-N 2 0 337.508 1.914 20 0 EDADRP Cn1cncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001034831887 711237901 /nfs/dbraw/zinc/23/79/01/711237901.db2.gz YLECBZBNBDVGFK-QGZVFWFLSA-N 2 0 341.459 1.278 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001034957730 711429766 /nfs/dbraw/zinc/42/97/66/711429766.db2.gz HAHRDAHSQQPGHG-MRXNPFEDSA-N 2 0 348.495 1.171 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]Cc1cncc(F)c1)C1CCC1 ZINC001034957640 711429832 /nfs/dbraw/zinc/42/98/32/711429832.db2.gz DHQJCYILTYFDLE-QGZVFWFLSA-N 2 0 334.439 1.786 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034958072 711431152 /nfs/dbraw/zinc/43/11/52/711431152.db2.gz YRRWTEAUCIXRCM-GOSISDBHSA-N 2 0 330.476 1.955 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001034958520 711432467 /nfs/dbraw/zinc/43/24/67/711432467.db2.gz JWLDREFPKCACSI-SJLPKXTDSA-N 2 0 346.475 1.511 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnc(C)nc2)CC[N@@H+]1C ZINC001034941753 711446648 /nfs/dbraw/zinc/44/66/48/711446648.db2.gz WILJOIIDBLPLNS-FGTMMUONSA-N 2 0 345.491 1.596 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394576 711461237 /nfs/dbraw/zinc/46/12/37/711461237.db2.gz OQQOLMZIBAFOTL-AFYVEPGGSA-N 2 0 346.519 1.868 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004148895 711562227 /nfs/dbraw/zinc/56/22/27/711562227.db2.gz XMFMKWQYHPVWLT-UHFFFAOYSA-N 2 0 344.503 1.929 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922516639 711635825 /nfs/dbraw/zinc/63/58/25/711635825.db2.gz SQRWWJYSFUMIJN-PMPSAXMXSA-N 2 0 342.553 1.986 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CC[NH+]1C1CCOCC1 ZINC000922510218 711639810 /nfs/dbraw/zinc/63/98/10/711639810.db2.gz LHDVJISKADXAGC-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC[C@@H]2C1 ZINC000946678258 712370545 /nfs/dbraw/zinc/37/05/45/712370545.db2.gz WLRRWQRFQHJOBG-HRCADAONSA-N 2 0 342.443 1.499 20 0 EDADRP C[C@H](C(=O)NC(C)(C)C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957192 231081080 /nfs/dbraw/zinc/08/10/80/231081080.db2.gz FSTPWDMFNQIHMK-OAHLLOKOSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000344599266 282212688 /nfs/dbraw/zinc/21/26/88/282212688.db2.gz VKKCQGFSWXAIDD-FPCVCCKLSA-N 2 0 341.521 1.134 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176001431 231553149 /nfs/dbraw/zinc/55/31/49/231553149.db2.gz BERFSDJKRZSYFQ-CVEARBPZSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445767828 539461510 /nfs/dbraw/zinc/46/15/10/539461510.db2.gz UFYKZALCVHOLCM-OAHLLOKOSA-N 2 0 348.491 1.576 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCC[NH+](C)Cc1ccc(F)cc1 ZINC000560519366 306273287 /nfs/dbraw/zinc/27/32/87/306273287.db2.gz QCCPYOXWBWFWAM-KRWDZBQOSA-N 2 0 336.455 1.993 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)COc1ccc(F)c(F)c1 ZINC000339068761 539699954 /nfs/dbraw/zinc/69/99/54/539699954.db2.gz PTTURXLPISNIMI-HZSPNIEDSA-N 2 0 326.387 1.921 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000355932013 539959840 /nfs/dbraw/zinc/95/98/40/539959840.db2.gz AFLIBVPHEHBOKH-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000563089819 306318580 /nfs/dbraw/zinc/31/85/80/306318580.db2.gz AEHHDNNRIKPCQD-DLBZAZTESA-N 2 0 339.443 1.939 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187031433 540153275 /nfs/dbraw/zinc/15/32/75/540153275.db2.gz WKELBJNAEVUBMG-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)[C@H]1c1ccccc1 ZINC000333487190 283124496 /nfs/dbraw/zinc/12/44/96/283124496.db2.gz CAWAKJGGRGLXEM-KFGODFMUSA-N 2 0 328.460 1.811 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])[NH+]2CCCC2)cc1 ZINC000563453255 306334294 /nfs/dbraw/zinc/33/42/94/306334294.db2.gz BIOSFIKNOUWJIW-QGZVFWFLSA-N 2 0 346.475 1.055 20 0 EDADRP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959418 138136934 /nfs/dbraw/zinc/13/69/34/138136934.db2.gz PWQMPNZOTSNGRR-OAHLLOKOSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000360886071 283175526 /nfs/dbraw/zinc/17/55/26/283175526.db2.gz FMHSRVAGBFIUAO-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP CN1CCN(c2ncc(C[NH+]3CCC(CC[NH+](C)C)CC3)cn2)CC1 ZINC000092381208 138288512 /nfs/dbraw/zinc/28/85/12/138288512.db2.gz WWDUJFUKVMFVPD-UHFFFAOYSA-N 2 0 346.523 1.392 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000106514805 138302915 /nfs/dbraw/zinc/30/29/15/138302915.db2.gz BJWVGNCJEPRLLS-CQSZACIVSA-N 2 0 339.528 1.231 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000124263229 138325346 /nfs/dbraw/zinc/32/53/46/138325346.db2.gz ISBAAFPKLBYUMG-CRAIPNDOSA-N 2 0 335.492 1.478 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000420158193 283217714 /nfs/dbraw/zinc/21/77/14/283217714.db2.gz GVDJFUSSHDPQTC-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N(C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413832375 304079387 /nfs/dbraw/zinc/07/93/87/304079387.db2.gz HWBONRGDFBZKMJ-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)CC[NH2+]C2CC2)CC1 ZINC000565215129 306378859 /nfs/dbraw/zinc/37/88/59/306378859.db2.gz RBESTLOYBKPIJR-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP CC[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000414197727 304105263 /nfs/dbraw/zinc/10/52/63/304105263.db2.gz PVNATNHZHKMKEM-SFHVURJKSA-N 2 0 332.492 1.919 20 0 EDADRP CCOC[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414335718 304107832 /nfs/dbraw/zinc/10/78/32/304107832.db2.gz YJVSBTQGXFNBHG-OAHLLOKOSA-N 2 0 333.476 1.899 20 0 EDADRP C[C@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@H]1CCC[NH2+]C1 ZINC000565949057 306395340 /nfs/dbraw/zinc/39/53/40/306395340.db2.gz LDZVTPOIFSAQBQ-SJORKVTESA-N 2 0 339.524 1.972 20 0 EDADRP CN(c1ccccc1)C1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414695346 304128206 /nfs/dbraw/zinc/12/82/06/304128206.db2.gz AGRVZFUAYWCHON-QGZVFWFLSA-N 2 0 344.503 1.785 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000414694841 304128287 /nfs/dbraw/zinc/12/82/87/304128287.db2.gz GFEODWVBHCKWRQ-IRXDYDNUSA-N 2 0 342.443 1.014 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@H+](CC)C2)c1 ZINC000414737067 304134883 /nfs/dbraw/zinc/13/48/83/304134883.db2.gz IILUWQWUSXIUEZ-MRXNPFEDSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000414743662 304136085 /nfs/dbraw/zinc/13/60/85/304136085.db2.gz VUCNVFYVQDTQJD-HNNXBMFYSA-N 2 0 333.480 1.806 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000414749803 304137282 /nfs/dbraw/zinc/13/72/82/304137282.db2.gz WPGIGYYZMZLZDL-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414780516 304139842 /nfs/dbraw/zinc/13/98/42/304139842.db2.gz LNACOICKNAYAGN-UHFFFAOYSA-N 2 0 327.476 1.874 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(N2CCOC2=O)c1 ZINC000497243130 296123843 /nfs/dbraw/zinc/12/38/43/296123843.db2.gz KCOMRLFEENWGOX-OAHLLOKOSA-N 2 0 332.448 1.589 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000100 304149634 /nfs/dbraw/zinc/14/96/34/304149634.db2.gz LEKCEZFTHKNMKB-QGZVFWFLSA-N 2 0 338.446 1.915 20 0 EDADRP COCCOc1cc2c(cc1C[NH2+][C@@H]1C[C@H]1C1CC[NH2+]CC1)OCO2 ZINC000415006090 304150246 /nfs/dbraw/zinc/15/02/46/304150246.db2.gz JXJVGDXVKADEAO-JKSUJKDBSA-N 2 0 348.443 1.918 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(N2CCOCC2)c1 ZINC000268840464 296147032 /nfs/dbraw/zinc/14/70/32/296147032.db2.gz CNMHOXCJBCTMPN-ZWKOTPCHSA-N 2 0 346.519 1.810 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000415078662 304158220 /nfs/dbraw/zinc/15/82/20/304158220.db2.gz GRJNFBUPZMJAJV-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP CC(C)C[C@@H]([NH3+])CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092977 304159122 /nfs/dbraw/zinc/15/91/22/304159122.db2.gz UOKLKHOBXLWTHO-RBUKOAKNSA-N 2 0 346.519 1.847 20 0 EDADRP c1cc(N2CCCC2)ncc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415141686 304164023 /nfs/dbraw/zinc/16/40/23/304164023.db2.gz PTBNEPYUWLQGNT-MSOLQXFVSA-N 2 0 342.487 1.882 20 0 EDADRP O=C1N[C@@H]2CN(Cc3ccc(F)cc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000415143160 304164042 /nfs/dbraw/zinc/16/40/42/304164042.db2.gz SATGFRXCBLJIEJ-SJORKVTESA-N 2 0 332.423 1.546 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000567284328 306445653 /nfs/dbraw/zinc/44/56/53/306445653.db2.gz NUUFCXDSLHEHMJ-SJLPKXTDSA-N 2 0 331.460 1.546 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000195519330 139019471 /nfs/dbraw/zinc/01/94/71/139019471.db2.gz ZBUZFUOEXYIEJL-UHFFFAOYSA-N 2 0 347.459 1.348 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000195519272 139019478 /nfs/dbraw/zinc/01/94/78/139019478.db2.gz HGBVQACGNPPTMT-UHFFFAOYSA-N 2 0 337.439 1.594 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000236807697 139032037 /nfs/dbraw/zinc/03/20/37/139032037.db2.gz NWSWBDKVKZPKDK-IBGZPJMESA-N 2 0 345.487 1.707 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC[NH2+]C1 ZINC000237051983 139039345 /nfs/dbraw/zinc/03/93/45/139039345.db2.gz POSLYTNHWRLBJZ-AWEZNQCLSA-N 2 0 332.448 1.385 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000237201638 139043834 /nfs/dbraw/zinc/04/38/34/139043834.db2.gz GBLTWMATOKQJDL-AEFFLSMTSA-N 2 0 347.459 1.327 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237210888 139044459 /nfs/dbraw/zinc/04/44/59/139044459.db2.gz OUBVYRSDCKCEDO-LJQANCHMSA-N 2 0 346.475 1.251 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2CC[NH2+]CC2)[NH+]2CCCC2)c1 ZINC000237311955 139047509 /nfs/dbraw/zinc/04/75/09/139047509.db2.gz CDDGMBCEQKOXDI-SFHVURJKSA-N 2 0 331.460 1.948 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)Nc1cccc(CN2CC[NH+](C)CC2)c1 ZINC000237334136 139048257 /nfs/dbraw/zinc/04/82/57/139048257.db2.gz SRTNFPAQWVPNPN-INIZCTEOSA-N 2 0 336.505 1.453 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000237418076 139050648 /nfs/dbraw/zinc/05/06/48/139050648.db2.gz ADGULIBNJCPSSE-QINHECLXSA-N 2 0 345.487 1.912 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)C[C@@H]([NH3+])c3ccccc3)CC2)CCO1 ZINC000237601100 139055263 /nfs/dbraw/zinc/05/52/63/139055263.db2.gz VSSOYBMGPVTIBX-MAUKXSAKSA-N 2 0 331.460 1.788 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)CC1CC[NH2+]CC1 ZINC000237684964 139057895 /nfs/dbraw/zinc/05/78/95/139057895.db2.gz SHZFXEZPMVKILC-YJBOKZPZSA-N 2 0 330.476 1.798 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000237892019 139063033 /nfs/dbraw/zinc/06/30/33/139063033.db2.gz HTCLRQTURLPPKV-GJZGRUSLSA-N 2 0 325.522 1.982 20 0 EDADRP C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184582042 296199852 /nfs/dbraw/zinc/19/98/52/296199852.db2.gz OSLWDLRXZZOHPR-NJAFHUGGSA-N 2 0 333.476 1.641 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237914915 139063623 /nfs/dbraw/zinc/06/36/23/139063623.db2.gz VOQBNSCHLKUXBB-MRXNPFEDSA-N 2 0 344.459 1.322 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238016603 139066625 /nfs/dbraw/zinc/06/66/25/139066625.db2.gz DVQJMDMLIVDKSN-UHFFFAOYSA-N 2 0 348.495 1.589 20 0 EDADRP C[C@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCC(C)CC1 ZINC000111843324 220205041 /nfs/dbraw/zinc/20/50/41/220205041.db2.gz SJJKGNHVWKSKCB-MRXNPFEDSA-N 2 0 340.512 1.110 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000246176223 139097772 /nfs/dbraw/zinc/09/77/72/139097772.db2.gz JPQFESVRWDXCDJ-RBUKOAKNSA-N 2 0 348.487 1.990 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)cc1 ZINC000415297323 304188306 /nfs/dbraw/zinc/18/83/06/304188306.db2.gz NMJXUCQSPYJHCN-CYBMUJFWSA-N 2 0 332.448 1.635 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)C[NH+]1CCN(C)CC1 ZINC000247048953 139133109 /nfs/dbraw/zinc/13/31/09/139133109.db2.gz NKCFPOXEAJJJCL-IXDOHACOSA-N 2 0 339.528 1.042 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N1CCC[NH2+]CC1 ZINC000415319528 304193640 /nfs/dbraw/zinc/19/36/40/304193640.db2.gz OYMDBFBARALQCY-UHFFFAOYSA-N 2 0 344.459 1.433 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000352248148 284647976 /nfs/dbraw/zinc/64/79/76/284647976.db2.gz WUUQMGXIVBOQHD-INIZCTEOSA-N 2 0 331.526 1.608 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)CO1 ZINC000247965667 139156290 /nfs/dbraw/zinc/15/62/90/139156290.db2.gz QDUABOXAFUCIHY-JKSUJKDBSA-N 2 0 332.448 1.230 20 0 EDADRP C[NH2+]CC1CCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC1 ZINC000415395735 304212859 /nfs/dbraw/zinc/21/28/59/304212859.db2.gz GCEFVMRQQZEESN-UHFFFAOYSA-N 2 0 346.475 1.453 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248741508 139173918 /nfs/dbraw/zinc/17/39/18/139173918.db2.gz DOZCPZGKFKSZGM-CYGHRXIMSA-N 2 0 333.476 1.639 20 0 EDADRP CCNC(=O)NC(=O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821412 218172157 /nfs/dbraw/zinc/17/21/57/218172157.db2.gz OBIYBTJNFJOPAC-UHFFFAOYSA-N 2 0 347.463 1.466 20 0 EDADRP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)CN3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405139 218222164 /nfs/dbraw/zinc/22/21/64/218222164.db2.gz RATVZIZDPBUSMX-HOCLYGCPSA-N 2 0 344.507 1.880 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415414056 304217322 /nfs/dbraw/zinc/21/73/22/304217322.db2.gz JGPHLBNEMZNSPR-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O)c1ccccc1 ZINC000249278038 139190167 /nfs/dbraw/zinc/19/01/67/139190167.db2.gz DXOCCUHVQXZPNW-QRVBRYPASA-N 2 0 347.503 1.888 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2c(C)nn(CC)c2C)CC[NH2+]CC1 ZINC000568974347 306493553 /nfs/dbraw/zinc/49/35/53/306493553.db2.gz HBIXUQJEYOSZHV-HNNXBMFYSA-N 2 0 336.480 1.931 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)[C@H](C)C[NH3+])c2C1 ZINC000415418115 304219022 /nfs/dbraw/zinc/21/90/22/304219022.db2.gz NZLGMUJNLGEDHB-KGLIPLIRSA-N 2 0 346.475 1.791 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000252449877 139204646 /nfs/dbraw/zinc/20/46/46/139204646.db2.gz PPDZCUOIHVBVBQ-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC000252977984 139205539 /nfs/dbraw/zinc/20/55/39/139205539.db2.gz XJKUATWEEDWRAA-BBWFWOEESA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000351002531 284792287 /nfs/dbraw/zinc/79/22/87/284792287.db2.gz OCQJWJHFSUJDAC-HRCADAONSA-N 2 0 340.512 1.212 20 0 EDADRP [NH3+]CC(=O)NCc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000261617592 139211477 /nfs/dbraw/zinc/21/14/77/139211477.db2.gz BLCBMQUOBSIPOJ-UHFFFAOYSA-N 2 0 329.404 1.297 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccc(F)cc3)n2)C1 ZINC000261618287 139211526 /nfs/dbraw/zinc/21/15/26/139211526.db2.gz FSRBKQKCIUKATJ-AWEZNQCLSA-N 2 0 346.406 1.768 20 0 EDADRP [NH3+]C[C@H](C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)c1ccc(F)cc1 ZINC000261645335 139214059 /nfs/dbraw/zinc/21/40/59/139214059.db2.gz FXLGRHQTURKHDE-OKZBNKHCSA-N 2 0 327.403 1.821 20 0 EDADRP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](CCc2ccccn2)CC1 ZINC000261681776 139217070 /nfs/dbraw/zinc/21/70/70/139217070.db2.gz GZKXXSADDYZMIB-VQIMIIECSA-N 2 0 344.503 1.922 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccccc1 ZINC000261699901 139218768 /nfs/dbraw/zinc/21/87/68/139218768.db2.gz OODGJJUZPLTWQX-HKUYNNGSSA-N 2 0 333.476 1.812 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(F)c3cccnc23)C1 ZINC000261746337 139222605 /nfs/dbraw/zinc/22/26/05/139222605.db2.gz UCTBWBRRUZUBLM-AWEZNQCLSA-N 2 0 330.407 1.661 20 0 EDADRP COc1ccc2nc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)sc2c1 ZINC000261792298 139226511 /nfs/dbraw/zinc/22/65/11/139226511.db2.gz GHIGUPTXYMYVJV-LBPRGKRZSA-N 2 0 348.472 1.592 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261777163 139225066 /nfs/dbraw/zinc/22/50/66/139225066.db2.gz FZFQVRLKQNGZMS-LZWOXQAQSA-N 2 0 325.497 1.613 20 0 EDADRP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)s2)cn1 ZINC000261942842 139238958 /nfs/dbraw/zinc/23/89/58/139238958.db2.gz MVZZPZWJZGJMEA-ZDUSSCGKSA-N 2 0 347.488 1.436 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000261979771 139241479 /nfs/dbraw/zinc/24/14/79/139241479.db2.gz RFWFAUKVVODFPI-USXIJHARSA-N 2 0 334.464 1.622 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000262037785 139245705 /nfs/dbraw/zinc/24/57/05/139245705.db2.gz PXNYQXTUVTUCHF-ZBFHGGJFSA-N 2 0 339.505 1.925 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000262016440 139244177 /nfs/dbraw/zinc/24/41/77/139244177.db2.gz XTYQRUMAQLDOHF-IINYFYTJSA-N 2 0 326.238 1.430 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262170950 139257002 /nfs/dbraw/zinc/25/70/02/139257002.db2.gz XGCNJLGYXLZGRO-FQEVSTJZSA-N 2 0 346.519 1.828 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@]1(C)C[NH3+] ZINC000415868215 251035204 /nfs/dbraw/zinc/03/52/04/251035204.db2.gz QDWUFIRJBYOQJY-FZKQIMNGSA-N 2 0 332.448 1.130 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000415980705 251043291 /nfs/dbraw/zinc/04/32/91/251043291.db2.gz ZYYHPSNXDZQYCD-UHFFFAOYSA-N 2 0 327.388 1.219 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NCC[NH+]1CCCOCC1 ZINC000416218449 251059408 /nfs/dbraw/zinc/05/94/08/251059408.db2.gz VFEGGJZYTFFMJV-UHFFFAOYSA-N 2 0 331.460 1.273 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000416791054 251110874 /nfs/dbraw/zinc/11/08/74/251110874.db2.gz ICWBPUWZKFJZJZ-HNNXBMFYSA-N 2 0 340.418 1.933 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@H]2CC[NH2+]C[C@H]2C1 ZINC000416795508 251111035 /nfs/dbraw/zinc/11/10/35/251111035.db2.gz UFPGIDVIRICVIQ-MSOLQXFVSA-N 2 0 342.487 1.902 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000416992924 251121133 /nfs/dbraw/zinc/12/11/33/251121133.db2.gz POSVQNVPFSRBGF-INIZCTEOSA-N 2 0 334.464 1.650 20 0 EDADRP [NH3+]CC[C@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417013597 251131787 /nfs/dbraw/zinc/13/17/87/251131787.db2.gz YURYDGKPRRRQBX-MRXNPFEDSA-N 2 0 330.476 1.815 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417016411 251134949 /nfs/dbraw/zinc/13/49/49/251134949.db2.gz GDEIDGXELJTXKS-KSZLIROESA-N 2 0 328.460 1.684 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000416996695 251123258 /nfs/dbraw/zinc/12/32/58/251123258.db2.gz UUYCULNXNVJCKE-LSDHHAIUSA-N 2 0 336.480 1.942 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H]1C ZINC000417024764 251138808 /nfs/dbraw/zinc/13/88/08/251138808.db2.gz MPIXDIISIMHBOF-CVEARBPZSA-N 2 0 330.476 1.827 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262352878 139272460 /nfs/dbraw/zinc/27/24/60/139272460.db2.gz JIJMDROMAHYKQP-MSOLQXFVSA-N 2 0 331.460 1.536 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417324014 251160198 /nfs/dbraw/zinc/16/01/98/251160198.db2.gz ZLAAUODAVXHMGJ-FVQBIDKESA-N 2 0 326.485 1.255 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000417566770 251191311 /nfs/dbraw/zinc/19/13/11/251191311.db2.gz MZHCIRLFJUSOTD-CABCVRRESA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262379375 139274721 /nfs/dbraw/zinc/27/47/21/139274721.db2.gz MUIFHOLKJLMQHM-KBAYOESNSA-N 2 0 331.460 1.392 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580803 251196397 /nfs/dbraw/zinc/19/63/97/251196397.db2.gz GDLXJJGBYVILHN-HUUCEWRRSA-N 2 0 340.512 1.835 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417630399 251208491 /nfs/dbraw/zinc/20/84/91/251208491.db2.gz QWEMQPRROYRLIN-DOTOQJQBSA-N 2 0 347.507 1.319 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1C[NH2+]CCN1C)c1ccccc1 ZINC000417630402 251208511 /nfs/dbraw/zinc/20/85/11/251208511.db2.gz QWEMQPRROYRLIN-WBVHZDCISA-N 2 0 347.507 1.319 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)c1cccc(OC)c1 ZINC000262434706 139278812 /nfs/dbraw/zinc/27/88/12/139278812.db2.gz UGVFZDDFSWYLIN-SJLPKXTDSA-N 2 0 349.475 1.573 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000417674226 251224838 /nfs/dbraw/zinc/22/48/38/251224838.db2.gz YYKBPHUFGYLGLJ-PMPSAXMXSA-N 2 0 328.501 1.406 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C[C@@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000262424242 139278228 /nfs/dbraw/zinc/27/82/28/139278228.db2.gz SBKMMATZJAGVMR-WBVHZDCISA-N 2 0 347.459 1.327 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417761452 251259767 /nfs/dbraw/zinc/25/97/67/251259767.db2.gz ZCGMEOWRRDVMSQ-IAGOWNOFSA-N 2 0 339.528 1.091 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C)[NH2+]C[C@@H]3C)CC2)nc1 ZINC000417722012 251242441 /nfs/dbraw/zinc/24/24/41/251242441.db2.gz AVLFHEMJYXQXQI-CABCVRRESA-N 2 0 331.464 1.751 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2(C)CC[NH2+]CC2)Cc2ccccc2C1 ZINC000417731761 251246808 /nfs/dbraw/zinc/24/68/08/251246808.db2.gz GHIPQGBOJZTGIB-UHFFFAOYSA-N 2 0 330.476 1.527 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000417747345 251253714 /nfs/dbraw/zinc/25/37/14/251253714.db2.gz ILEVQQRNPQUDJR-UHFFFAOYSA-N 2 0 347.507 1.983 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000417847033 251295211 /nfs/dbraw/zinc/29/52/11/251295211.db2.gz UNVVJCFOBJBJTC-NJAFHUGGSA-N 2 0 346.475 1.409 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417845558 251295241 /nfs/dbraw/zinc/29/52/41/251295241.db2.gz SBDAQRJTYJBQEO-BZUAXINKSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@@H](CCNC(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000417810901 251279039 /nfs/dbraw/zinc/27/90/39/251279039.db2.gz JAPXVUFVBYLAJW-FUHWJXTLSA-N 2 0 348.491 1.656 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000417821144 251282345 /nfs/dbraw/zinc/28/23/45/251282345.db2.gz HYNHGGYVDAGGCA-UHFFFAOYSA-N 2 0 336.455 1.899 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000417991802 251319095 /nfs/dbraw/zinc/31/90/95/251319095.db2.gz LQCLHCHXZJGTQT-QZTJIDSGSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000418104694 251322678 /nfs/dbraw/zinc/32/26/78/251322678.db2.gz KJZWYYUWMPMTFW-SOLBZPMBSA-N 2 0 330.476 1.900 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000417854068 251298608 /nfs/dbraw/zinc/29/86/08/251298608.db2.gz SSMNUHOTJLVWBB-MSOLQXFVSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417858248 251300001 /nfs/dbraw/zinc/30/00/01/251300001.db2.gz UWGBUASISZUKGB-YGRLFVJLSA-N 2 0 328.254 1.867 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000418443848 251372598 /nfs/dbraw/zinc/37/25/98/251372598.db2.gz AKCORDJTWDXKKW-AEFFLSMTSA-N 2 0 348.491 1.896 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418199044 251354993 /nfs/dbraw/zinc/35/49/93/251354993.db2.gz IKRPQQZRRHTESM-HNNXBMFYSA-N 2 0 328.501 1.422 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418198926 251355049 /nfs/dbraw/zinc/35/50/49/251355049.db2.gz WCFIFUVMPBHHRS-GOEBONIOSA-N 2 0 349.479 1.352 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000418306877 251358244 /nfs/dbraw/zinc/35/82/44/251358244.db2.gz KQZLYKIBWKEUAD-DLBZAZTESA-N 2 0 332.448 1.192 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(F)F ZINC000418712895 251393459 /nfs/dbraw/zinc/39/34/59/251393459.db2.gz ONGNRCABXBNMDI-HNNXBMFYSA-N 2 0 340.418 1.886 20 0 EDADRP C[C@@H](NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[C@H](C)[NH3+] ZINC000418702692 251388796 /nfs/dbraw/zinc/38/87/96/251388796.db2.gz HGAOBVIZBCRSSS-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C3([NH3+])CCCC3)cc2)CC1 ZINC000262633370 139291728 /nfs/dbraw/zinc/29/17/28/139291728.db2.gz GLOZQDKPONCPMD-UHFFFAOYSA-N 2 0 346.475 1.523 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262702358 139297384 /nfs/dbraw/zinc/29/73/84/139297384.db2.gz CMYHGWCPIRJKCF-CVEARBPZSA-N 2 0 333.480 1.658 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262709955 139297974 /nfs/dbraw/zinc/29/79/74/139297974.db2.gz FDSHIUDIIXHXKT-PMPSAXMXSA-N 2 0 331.464 1.506 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262740937 139300381 /nfs/dbraw/zinc/30/03/81/139300381.db2.gz JHNMKIYKUJTCBT-INIZCTEOSA-N 2 0 331.464 1.412 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262778962 139302977 /nfs/dbraw/zinc/30/29/77/139302977.db2.gz XHZCBTUDVWMGOZ-VQIMIIECSA-N 2 0 344.503 1.776 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262832005 139306712 /nfs/dbraw/zinc/30/67/12/139306712.db2.gz VISKZZLECSJQCZ-OAHLLOKOSA-N 2 0 346.475 1.256 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262861431 139308776 /nfs/dbraw/zinc/30/87/76/139308776.db2.gz UDYKSMQFTCNUMN-CRAIPNDOSA-N 2 0 330.476 1.162 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H](C)C[NH3+])c2C1 ZINC000415598139 304236200 /nfs/dbraw/zinc/23/62/00/304236200.db2.gz KFQGOHJCBXJZLK-CHWSQXEVSA-N 2 0 332.448 1.449 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CN[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000422891578 252013246 /nfs/dbraw/zinc/01/32/46/252013246.db2.gz KRXHJTPWPFWMQJ-YLJYHZDGSA-N 2 0 330.520 1.912 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422899175 252017074 /nfs/dbraw/zinc/01/70/74/252017074.db2.gz GWVDKUFHYBKXJB-LZWOXQAQSA-N 2 0 333.432 1.028 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000423008756 252025296 /nfs/dbraw/zinc/02/52/96/252025296.db2.gz UNYOLDCJGZRTPK-BPQIPLTHSA-N 2 0 330.476 1.302 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCc2nnc(-c3ccc(F)cc3)n2C1 ZINC000423042761 252027816 /nfs/dbraw/zinc/02/78/16/252027816.db2.gz MABWIODEOIGEDW-HZPDHXFCSA-N 2 0 347.438 1.743 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000423319445 252045580 /nfs/dbraw/zinc/04/55/80/252045580.db2.gz FIMBJQOHEJMMAV-APWZRJJASA-N 2 0 331.460 1.775 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000423345527 252047120 /nfs/dbraw/zinc/04/71/20/252047120.db2.gz XPUHOIMKXMQDQN-FQEVSTJZSA-N 2 0 345.487 1.702 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000423346830 252047208 /nfs/dbraw/zinc/04/72/08/252047208.db2.gz PTHXGLWZHDQXSW-CABCVRRESA-N 2 0 331.464 1.577 20 0 EDADRP COCC[C@]1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000423773559 252069020 /nfs/dbraw/zinc/06/90/20/252069020.db2.gz JPNQHOYYKCOEEP-IMFGXOCKSA-N 2 0 345.487 1.639 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c(C)s1 ZINC000422993490 252023183 /nfs/dbraw/zinc/02/31/83/252023183.db2.gz FSWOLGIPAGGVRJ-CHWSQXEVSA-N 2 0 331.507 1.360 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C[C@H]2CSCC[NH2+]2)cc1F ZINC000423855820 252092609 /nfs/dbraw/zinc/09/26/09/252092609.db2.gz ZECDPMITXUFZMS-AWEZNQCLSA-N 2 0 325.453 1.599 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423857599 252094780 /nfs/dbraw/zinc/09/47/80/252094780.db2.gz XYEAZHLERJQKCU-GUDVDZBRSA-N 2 0 345.487 1.769 20 0 EDADRP CC1(C(=O)NC[C@H]2C[NH2+]CCO2)CC[NH+](Cc2ccccc2)CC1 ZINC000423993861 252109836 /nfs/dbraw/zinc/10/98/36/252109836.db2.gz HVQSGWIIKQPPRA-QGZVFWFLSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+][C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000424139381 252140249 /nfs/dbraw/zinc/14/02/49/252140249.db2.gz AJDRZWVZVSHQIW-JKSUJKDBSA-N 2 0 330.432 1.787 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC([NH+]2CCCCC2)CC1 ZINC000424139324 252140409 /nfs/dbraw/zinc/14/04/09/252140409.db2.gz VAZNPGZLDGJJHU-INIZCTEOSA-N 2 0 346.479 1.293 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132999 252135559 /nfs/dbraw/zinc/13/55/59/252135559.db2.gz LOXICQFKRLQKCA-RRFJBIMHSA-N 2 0 331.464 1.244 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC(=O)N(C)C1=O)c1cccc(OCC[NH+](C)C)c1 ZINC000424313555 252196288 /nfs/dbraw/zinc/19/62/88/252196288.db2.gz JIAAVUOLWIGQLL-XJKSGUPXSA-N 2 0 333.432 1.425 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000262932362 139313605 /nfs/dbraw/zinc/31/36/05/139313605.db2.gz SWPJHZAABCELJQ-GOSISDBHSA-N 2 0 341.455 1.848 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)CC2([NH+](C)C)CCC2)c1 ZINC000424470184 252242122 /nfs/dbraw/zinc/24/21/22/252242122.db2.gz RDFKACWFORLDDX-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000424433062 252229136 /nfs/dbraw/zinc/22/91/36/252229136.db2.gz HZVYBPVGOXCYHX-OAHLLOKOSA-N 2 0 332.448 1.640 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000424436346 252229726 /nfs/dbraw/zinc/22/97/26/252229726.db2.gz MIBHOHMPWIUCIG-UHFFFAOYSA-N 2 0 347.507 1.943 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424479868 252248279 /nfs/dbraw/zinc/24/82/79/252248279.db2.gz PDJLATSWHMUQOC-GBESFXJTSA-N 2 0 342.487 1.902 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000349917290 285021239 /nfs/dbraw/zinc/02/12/39/285021239.db2.gz RIWHPYXZSMAKNO-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246578838 285023189 /nfs/dbraw/zinc/02/31/89/285023189.db2.gz CDCWZCNULFOUIB-GVDBMIGSSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000415651584 304248172 /nfs/dbraw/zinc/24/81/72/304248172.db2.gz GSFKFNFUEFEEFH-YOEHRIQHSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC[C@H](CC[NH3+])C2)c1 ZINC000415670683 304252990 /nfs/dbraw/zinc/25/29/90/304252990.db2.gz BYMWCFTWKBWLCW-CQSZACIVSA-N 2 0 332.448 1.274 20 0 EDADRP COC(=O)c1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)n(C)c1C ZINC000570099583 306530352 /nfs/dbraw/zinc/53/03/52/306530352.db2.gz IPUNUKYFTTWERR-UHFFFAOYSA-N 2 0 336.480 1.237 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415717070 304260947 /nfs/dbraw/zinc/26/09/47/304260947.db2.gz DEBNMEJMAUNPNS-OAHLLOKOSA-N 2 0 346.475 1.378 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000358418442 285228676 /nfs/dbraw/zinc/22/86/76/285228676.db2.gz HBLHVCQKSBMMPH-HNNXBMFYSA-N 2 0 342.553 1.845 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC(C)(C)C[NH+]2CCCC2)CCCO1 ZINC000458732465 254939440 /nfs/dbraw/zinc/93/94/40/254939440.db2.gz SVLYXLSRIVPLOC-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP OC1(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCOCC1 ZINC000368693829 285238601 /nfs/dbraw/zinc/23/86/01/285238601.db2.gz UZOHQPGOSUEHNR-MOPGFXCFSA-N 2 0 330.472 1.982 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459786781 255000786 /nfs/dbraw/zinc/00/07/86/255000786.db2.gz PKBQRGXGJJLHPP-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC[C@@H]1C ZINC000433450991 285244835 /nfs/dbraw/zinc/24/48/35/285244835.db2.gz AXAPUVZKNACQFA-GVDBMIGSSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC[C@H]1C ZINC000433450989 285245068 /nfs/dbraw/zinc/24/50/68/285245068.db2.gz AXAPUVZKNACQFA-BRWVUGGUSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000489998031 255075314 /nfs/dbraw/zinc/07/53/14/255075314.db2.gz IHDFTQIQQNXGAQ-MRXNPFEDSA-N 2 0 326.485 1.082 20 0 EDADRP Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)/C=C/C[NH+](C)C)on1 ZINC000491982102 255157356 /nfs/dbraw/zinc/15/73/56/255157356.db2.gz JAEWOPYEBNXGJB-WHJWBVKISA-N 2 0 338.427 1.472 20 0 EDADRP CCOc1cc(Cl)ccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000570391115 306540252 /nfs/dbraw/zinc/54/02/52/306540252.db2.gz ULVJYOSWRUVYHD-MRXNPFEDSA-N 2 0 341.883 1.437 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494704768 255259137 /nfs/dbraw/zinc/25/91/37/255259137.db2.gz TWFMZMAZCLUNJO-HOTGVXAUSA-N 2 0 348.491 1.901 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494718191 255259615 /nfs/dbraw/zinc/25/96/15/255259615.db2.gz NKHVAEBYBNBASY-IAGOWNOFSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[N@@H+]1CCCC[C@H]1C ZINC000496178895 255361904 /nfs/dbraw/zinc/36/19/04/255361904.db2.gz OWQTVUCDDSLXAA-KGLIPLIRSA-N 2 0 341.500 1.888 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)CCNC(=O)OC(C)(C)C)CC1 ZINC000496483460 255397754 /nfs/dbraw/zinc/39/77/54/255397754.db2.gz YRXSVZQHEPIECM-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000154797288 224307647 /nfs/dbraw/zinc/30/76/47/224307647.db2.gz HOHCOKVSRKGFHJ-UHFFFAOYSA-N 2 0 346.475 1.283 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417752390 285320651 /nfs/dbraw/zinc/32/06/51/285320651.db2.gz MMQCWJUIPGAFFS-IKGGRYGDSA-N 2 0 339.528 1.029 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C[C@@H]1[NH3+] ZINC000415835934 304279647 /nfs/dbraw/zinc/27/96/47/304279647.db2.gz WNBZHQZJBRUPDY-PBHICJAKSA-N 2 0 344.459 1.069 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000415910981 304284940 /nfs/dbraw/zinc/28/49/40/304284940.db2.gz CSWZIODKZOWHHH-INIZCTEOSA-N 2 0 347.507 1.944 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NC[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000416182619 304293849 /nfs/dbraw/zinc/29/38/49/304293849.db2.gz ZYIAJQPPAXKWEX-ROUUACIJSA-N 2 0 333.476 1.642 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000269250482 139902347 /nfs/dbraw/zinc/90/23/47/139902347.db2.gz YAMJVVVHCRPDOX-QZTJIDSGSA-N 2 0 349.475 1.573 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[N@H+](C)CC3(C)C)c2)CC1 ZINC000270917773 140198200 /nfs/dbraw/zinc/19/82/00/140198200.db2.gz DQDVOUZLWSBMSM-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C[C@@H](C)O)CC1 ZINC000331318446 141007050 /nfs/dbraw/zinc/00/70/50/141007050.db2.gz KDZSAJLATWNKKP-WBVHZDCISA-N 2 0 325.497 1.601 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@H]2COc3ccccc3O2)CC1 ZINC000332027159 141112615 /nfs/dbraw/zinc/11/26/15/141112615.db2.gz NHTUSQRXELYCDL-INIZCTEOSA-N 2 0 347.459 1.216 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332138612 141129580 /nfs/dbraw/zinc/12/95/80/141129580.db2.gz LRXFQDISAXRZEC-PQEBFOHHSA-N 2 0 334.439 1.779 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1cccn1C ZINC000416386513 304313753 /nfs/dbraw/zinc/31/37/53/304313753.db2.gz RTVFCNOOOOPYKF-OAHLLOKOSA-N 2 0 342.509 1.062 20 0 EDADRP C[C@]1(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000333162241 141274119 /nfs/dbraw/zinc/27/41/19/141274119.db2.gz GOTZKYGRYREVCU-YJBOKZPZSA-N 2 0 338.496 1.176 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000333177506 141276303 /nfs/dbraw/zinc/27/63/03/141276303.db2.gz PBGXWPNXFLKQEH-OAHLLOKOSA-N 2 0 331.464 1.572 20 0 EDADRP Cn1ccnc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1=O ZINC000333256408 141288406 /nfs/dbraw/zinc/28/84/06/141288406.db2.gz HZBXSMYWFGUSRN-YLFCFFPRSA-N 2 0 345.491 1.259 20 0 EDADRP Cc1cn2cc(NC(=O)N3C[C@@H](c4cnn(C)c4)[C@H]([NH3+])C3)ccc2n1 ZINC000333352641 141304084 /nfs/dbraw/zinc/30/40/84/141304084.db2.gz BJUAZAOZNRSFSW-LSDHHAIUSA-N 2 0 339.403 1.335 20 0 EDADRP C[C@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1[NH3+] ZINC000333417862 141314607 /nfs/dbraw/zinc/31/46/07/141314607.db2.gz SCBNTBIZISNSEB-JKSUJKDBSA-N 2 0 338.496 1.258 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NC[C@H]3C[NH2+]CCO3)C2)CC1 ZINC000333580279 141340246 /nfs/dbraw/zinc/34/02/46/141340246.db2.gz UBRWRNSCYNWXDW-IAGOWNOFSA-N 2 0 338.496 1.128 20 0 EDADRP Cc1nc(CN2CCCN(C(=O)N[C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000333652791 141350929 /nfs/dbraw/zinc/35/09/29/141350929.db2.gz KCDUSBXWCBYQFZ-CQSZACIVSA-N 2 0 337.493 1.421 20 0 EDADRP C[C@H]1CN(c2cc(N3CCC[C@H](CO)C3)ncn2)CC[N@@H+](C2CC2)C1 ZINC000333678825 141355394 /nfs/dbraw/zinc/35/53/94/141355394.db2.gz KSKUQZZZAFKEBO-CVEARBPZSA-N 2 0 345.491 1.606 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000333690557 141358853 /nfs/dbraw/zinc/35/88/53/141358853.db2.gz CMWAMARHRNXVKJ-UHFFFAOYSA-N 2 0 337.508 1.602 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCCCOc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000339408770 142040024 /nfs/dbraw/zinc/04/00/24/142040024.db2.gz VLKFBHGPANQXQR-GOSISDBHSA-N 2 0 345.487 1.989 20 0 EDADRP COCCN(C)c1ccc(C[NH+]2CCC(OCCC[NH3+])CC2)cn1 ZINC000339407803 142040034 /nfs/dbraw/zinc/04/00/34/142040034.db2.gz NZFDSRZRFJGYPE-UHFFFAOYSA-N 2 0 336.480 1.494 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCOC[C@@H]1C ZINC000345719274 143125298 /nfs/dbraw/zinc/12/52/98/143125298.db2.gz BPPFYDWUUVYVLU-GVDBMIGSSA-N 2 0 325.497 1.534 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000345769575 143131493 /nfs/dbraw/zinc/13/14/93/143131493.db2.gz NRUIWYMZICVACD-IYBDPMFKSA-N 2 0 336.524 1.534 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)CCN1CC[NH+](CC)CC1 ZINC000346313353 143190642 /nfs/dbraw/zinc/19/06/42/143190642.db2.gz MEBUPGYNFUSPTE-UHFFFAOYSA-N 2 0 338.540 1.739 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCSCC2)[C@@H](C)C1 ZINC000346620967 143222954 /nfs/dbraw/zinc/22/29/54/143222954.db2.gz RVAYAVPRDOIWKM-IRXDYDNUSA-N 2 0 329.554 1.762 20 0 EDADRP CC(C)(C)n1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000346693350 143232774 /nfs/dbraw/zinc/23/27/74/143232774.db2.gz MLFXDEXYWMKWGF-RDJZCZTQSA-N 2 0 347.507 1.718 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[NH+](C)C1 ZINC000346697607 143233389 /nfs/dbraw/zinc/23/33/89/143233389.db2.gz FHJGOCMWCNJCAI-KBAYOESNSA-N 2 0 337.508 1.819 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000346960490 143266302 /nfs/dbraw/zinc/26/63/02/143266302.db2.gz HUIZSHWURBNNRQ-LSDHHAIUSA-N 2 0 325.497 1.865 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCc2ccc(C[NH+](C)C)cc2)C1 ZINC000346986793 143268710 /nfs/dbraw/zinc/26/87/10/143268710.db2.gz LMWWCWHZSDGXGG-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP C[NH2+]CC1CC[NH+](Cc2c(C)nn(CC(=O)OC(C)C)c2C)CC1 ZINC000347007537 143270707 /nfs/dbraw/zinc/27/07/07/143270707.db2.gz QQMGVDSTJJFFJX-UHFFFAOYSA-N 2 0 336.480 1.883 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCCCC[NH+]2CCC[C@@H](C)C2)C1 ZINC000347042470 143275648 /nfs/dbraw/zinc/27/56/48/143275648.db2.gz LCFWXNCYFRNTKI-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347050429 143276459 /nfs/dbraw/zinc/27/64/59/143276459.db2.gz NOLHZZSCUUEPAZ-SJORKVTESA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@H](C(=O)N1CCC(CCC[N@H+](C)CCOC)CC1)[NH+](C)C ZINC000347485895 143327575 /nfs/dbraw/zinc/32/75/75/143327575.db2.gz PPNHMYUFIJTWFQ-QGZVFWFLSA-N 2 0 327.513 1.924 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000348021198 143392073 /nfs/dbraw/zinc/39/20/73/143392073.db2.gz QVDJPMHKCUMXJS-CVEARBPZSA-N 2 0 340.512 1.166 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000572943335 306604389 /nfs/dbraw/zinc/60/43/89/306604389.db2.gz DHVYYMFAYAQKTQ-FUHWJXTLSA-N 2 0 346.475 1.520 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000573088164 306611305 /nfs/dbraw/zinc/61/13/05/306611305.db2.gz QVMXTDVVIUJRQD-UHFFFAOYSA-N 2 0 344.459 1.119 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000416822212 304350198 /nfs/dbraw/zinc/35/01/98/304350198.db2.gz VGOACUUSSBRWEJ-HNNXBMFYSA-N 2 0 326.485 1.115 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H](C)[NH+](CC)CC)C[C@@H]1CC ZINC000342664725 286084907 /nfs/dbraw/zinc/08/49/07/286084907.db2.gz QHYAVBJWGSWCQJ-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000416896598 304354245 /nfs/dbraw/zinc/35/42/45/304354245.db2.gz WEAUSWNYIWBDQZ-SFHVURJKSA-N 2 0 347.507 1.231 20 0 EDADRP Cc1cccc(CN2CCN(C(=O)C[NH2+][C@](C)(CO)C(C)C)CC2)c1 ZINC000352882208 149201478 /nfs/dbraw/zinc/20/14/78/149201478.db2.gz KYMKPBOVAQFQML-HXUWFJFHSA-N 2 0 347.503 1.636 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@@H](C[NH3+])C2)CC1 ZINC000416969279 304357444 /nfs/dbraw/zinc/35/74/44/304357444.db2.gz BHWYQAJKVKGCIS-INIZCTEOSA-N 2 0 330.476 1.950 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[C@H](C[NH3+])C2)CC1 ZINC000416969284 304357528 /nfs/dbraw/zinc/35/75/28/304357528.db2.gz BHWYQAJKVKGCIS-MRXNPFEDSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416972748 304358383 /nfs/dbraw/zinc/35/83/83/304358383.db2.gz SUZVJAJKLURKBV-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416974257 304358498 /nfs/dbraw/zinc/35/84/98/304358498.db2.gz LDFOJCZDYOSIBW-INIZCTEOSA-N 2 0 336.480 1.800 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC[NH2+]1 ZINC000416980891 304360691 /nfs/dbraw/zinc/36/06/91/304360691.db2.gz ZFHWZLSEXPKAQD-ZBFHGGJFSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@H](C)C[NH2+]1 ZINC000416979759 304360368 /nfs/dbraw/zinc/36/03/68/304360368.db2.gz XJWTTXLREPAHJX-HUUCEWRRSA-N 2 0 334.464 1.519 20 0 EDADRP CC[C@@H](C)[C@@H](OC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355458277 150276470 /nfs/dbraw/zinc/27/64/70/150276470.db2.gz PKMAMOFACZPZQZ-SJLPKXTDSA-N 2 0 348.491 1.771 20 0 EDADRP CCC[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCC[C@@H](C(N)=O)C1 ZINC000355595406 150329221 /nfs/dbraw/zinc/32/92/21/150329221.db2.gz IOCAJEWVAFVPFL-MRXNPFEDSA-N 2 0 346.475 1.664 20 0 EDADRP COC[C@@]1(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CCC[NH2+]1 ZINC000417042617 304365293 /nfs/dbraw/zinc/36/52/93/304365293.db2.gz LSXIVXTYGMPVKZ-WMZOPIPTSA-N 2 0 340.512 1.709 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417042940 304365623 /nfs/dbraw/zinc/36/56/23/304365623.db2.gz WVSOCJNEABXUFU-HDICACEKSA-N 2 0 328.460 1.296 20 0 EDADRP COC(=O)c1ccc(Cl)c(C[NH2+]CC2CC[NH+](CCO)CC2)c1 ZINC000358052413 151248924 /nfs/dbraw/zinc/24/89/24/151248924.db2.gz SIUSVHGCCPNRMG-UHFFFAOYSA-N 2 0 340.851 1.921 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC000358305097 151331392 /nfs/dbraw/zinc/33/13/92/151331392.db2.gz WUVFWTNHOVUSHE-CABCVRRESA-N 2 0 342.553 1.938 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCOCC2)[C@@H](C)C1 ZINC000358327615 151338313 /nfs/dbraw/zinc/33/83/13/151338313.db2.gz JPYUWLCTGFMDOC-IRXDYDNUSA-N 2 0 328.497 1.502 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000358433776 151374364 /nfs/dbraw/zinc/37/43/64/151374364.db2.gz IINSHJBDISEBTB-CVEARBPZSA-N 2 0 342.528 1.593 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000358804102 151501674 /nfs/dbraw/zinc/50/16/74/151501674.db2.gz IIPRFYVHDJTDEO-QZTJIDSGSA-N 2 0 325.497 1.632 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000360571875 152102592 /nfs/dbraw/zinc/10/25/92/152102592.db2.gz RLHQCAKIILQMTQ-GOSISDBHSA-N 2 0 345.491 1.434 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000360694184 152155877 /nfs/dbraw/zinc/15/58/77/152155877.db2.gz LWHZTZQHMILXFS-UHFFFAOYSA-N 2 0 346.541 1.033 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCO[C@@H](CC)C1 ZINC000360804995 152212592 /nfs/dbraw/zinc/21/25/92/152212592.db2.gz ZHLZUSAJNVPCKG-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000360896519 152244854 /nfs/dbraw/zinc/24/48/54/152244854.db2.gz RRMBOVDLTBBBAP-IRXDYDNUSA-N 2 0 342.528 1.499 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417166864 304379947 /nfs/dbraw/zinc/37/99/47/304379947.db2.gz YKCKCOQDPHVATI-SJORKVTESA-N 2 0 334.508 1.892 20 0 EDADRP CCOCCCNC(=[NH2+])NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1 ZINC000364255792 153189049 /nfs/dbraw/zinc/18/90/49/153189049.db2.gz OJGVEZMBPSBJJN-HOCLYGCPSA-N 2 0 336.484 1.344 20 0 EDADRP CC(C)[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CS1 ZINC000364855555 153352206 /nfs/dbraw/zinc/35/22/06/153352206.db2.gz WNAYXAHEDDWTPE-XHSDSOJGSA-N 2 0 341.521 1.039 20 0 EDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]Cc2cnc(N3CCN(C)CC3)nc2)C12CCC2 ZINC000364854374 153352572 /nfs/dbraw/zinc/35/25/72/153352572.db2.gz KJCLSISSVXZCSL-USXIJHARSA-N 2 0 345.491 1.522 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)NCC[NH+](C)C)CC2)CC1 ZINC000367116469 154012580 /nfs/dbraw/zinc/01/25/80/154012580.db2.gz CWBBBEHCVNPCKJ-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CN(Cc1cnc2cnccn12)C1CC[NH+](C2CCOCC2)CC1 ZINC000367429768 154119287 /nfs/dbraw/zinc/11/92/87/154119287.db2.gz IVPGETRGSLTCDY-UHFFFAOYSA-N 2 0 329.448 1.805 20 0 EDADRP O=C(Nc1cccc2c1C[NH2+]CC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000367512847 154155017 /nfs/dbraw/zinc/15/50/17/154155017.db2.gz GZHAMCCXTRTAMQ-CQSZACIVSA-N 2 0 325.416 1.706 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417340126 304392604 /nfs/dbraw/zinc/39/26/04/304392604.db2.gz ABRJCLNDGOWBEA-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417343779 304392942 /nfs/dbraw/zinc/39/29/42/304392942.db2.gz QTSUBJHNYMOVDI-SZVBFZGTSA-N 2 0 342.487 1.684 20 0 EDADRP [NH3+]CCN(CCO)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000417355639 304394544 /nfs/dbraw/zinc/39/45/44/304394544.db2.gz OGWSFZWUNZCOKK-UHFFFAOYSA-N 2 0 348.491 1.525 20 0 EDADRP CN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000417360767 304394642 /nfs/dbraw/zinc/39/46/42/304394642.db2.gz JWCLLZVYVOVPJA-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417358641 304394746 /nfs/dbraw/zinc/39/47/46/304394746.db2.gz HWHUROBSCOFOJA-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)NCCCC[NH+]1CCOCC1 ZINC000369417404 155020435 /nfs/dbraw/zinc/02/04/35/155020435.db2.gz BPMUDUGNIZEXJS-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000371598337 156024176 /nfs/dbraw/zinc/02/41/76/156024176.db2.gz GMXZWAXBWMCMBJ-QZTJIDSGSA-N 2 0 345.491 1.687 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417747010 292335373 /nfs/dbraw/zinc/33/53/73/292335373.db2.gz GQNMVGFSMGNEQS-INIZCTEOSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417486710 304399979 /nfs/dbraw/zinc/39/99/79/304399979.db2.gz YYEYELSBLJHEPZ-JKSUJKDBSA-N 2 0 348.491 1.909 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000371907901 156163083 /nfs/dbraw/zinc/16/30/83/156163083.db2.gz VZSFUFKEDYQGML-UHFFFAOYSA-N 2 0 335.452 1.411 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC1([NH+](C)C)CCOCC1 ZINC000372048257 156224979 /nfs/dbraw/zinc/22/49/79/156224979.db2.gz YHUJCHMFPWDQDN-KZNAEPCWSA-N 2 0 339.524 1.576 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000355387216 292348807 /nfs/dbraw/zinc/34/88/07/292348807.db2.gz SQTYETQATIZLQX-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CSC3(C)C)CC2)CC1 ZINC000374635433 157351448 /nfs/dbraw/zinc/35/14/48/157351448.db2.gz DSFCJGPUXIKSKF-OAHLLOKOSA-N 2 0 340.537 1.738 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCOC3)cc2)CC1 ZINC000575850053 306672658 /nfs/dbraw/zinc/67/26/58/306672658.db2.gz GRASXENFMMHPCY-GOSISDBHSA-N 2 0 331.460 1.653 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](O)Cc3ccccc3)C2)CC1 ZINC000377832447 158004686 /nfs/dbraw/zinc/00/46/86/158004686.db2.gz SAUPTZXRFNBZOD-PMACEKPBSA-N 2 0 331.504 1.690 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000377935111 158033364 /nfs/dbraw/zinc/03/33/64/158033364.db2.gz CXCAYYVELHZAQY-DISONHOPSA-N 2 0 337.508 1.722 20 0 EDADRP COCC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[NH2+]C1 ZINC000378201981 158107246 /nfs/dbraw/zinc/10/72/46/158107246.db2.gz MAYJZLHMFZKYIY-FQEVSTJZSA-N 2 0 345.487 1.915 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@H]2CCC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000378205080 158109345 /nfs/dbraw/zinc/10/93/45/158109345.db2.gz MIBQAMSJNXEAPH-ROUUACIJSA-N 2 0 330.476 1.091 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417913683 304430379 /nfs/dbraw/zinc/43/03/79/304430379.db2.gz QHJKBBPYJLCKTL-XBVQOTNRSA-N 2 0 338.496 1.052 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417914046 304430513 /nfs/dbraw/zinc/43/05/13/304430513.db2.gz QPPWVXSYPRKTOB-HOTGVXAUSA-N 2 0 340.512 1.381 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422727048 286913976 /nfs/dbraw/zinc/91/39/76/286913976.db2.gz BJLWVSGIZFLBBE-MNOVXSKESA-N 2 0 328.254 1.894 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000105070592 292474498 /nfs/dbraw/zinc/47/44/98/292474498.db2.gz ZHLGBSVDTLTQSQ-UHFFFAOYSA-N 2 0 328.501 1.515 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000121073933 287034783 /nfs/dbraw/zinc/03/47/83/287034783.db2.gz RBQNHQVHHUHERM-DLBZAZTESA-N 2 0 342.491 1.801 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[NH+](C)C ZINC000418177961 304460222 /nfs/dbraw/zinc/46/02/22/304460222.db2.gz IBMVSEIYWYCAFC-MVJTYMMSSA-N 2 0 330.476 1.990 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000073660326 287262844 /nfs/dbraw/zinc/26/28/44/287262844.db2.gz TVLGQQAEKFTYDF-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000073866788 287265601 /nfs/dbraw/zinc/26/56/01/287265601.db2.gz TVPSCMKXVQCJHU-IXDOHACOSA-N 2 0 342.528 1.620 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@H+](C)C1CC1 ZINC000074100622 287267487 /nfs/dbraw/zinc/26/74/87/287267487.db2.gz SDCNMDYKROYYSE-ZBFHGGJFSA-N 2 0 326.485 1.221 20 0 EDADRP COc1cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1C ZINC000077787194 287290498 /nfs/dbraw/zinc/29/04/98/287290498.db2.gz UWGDMAKVKRHGNS-UHFFFAOYSA-N 2 0 336.480 1.638 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000353455503 287316250 /nfs/dbraw/zinc/31/62/50/287316250.db2.gz XSOAUHUAAZLHIH-XSLAGTTESA-N 2 0 336.524 1.392 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062715 287318773 /nfs/dbraw/zinc/31/87/73/287318773.db2.gz VERSTQKNXDKSER-BRWVUGGUSA-N 2 0 325.497 1.759 20 0 EDADRP [NH3+][C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)c1ccccc1 ZINC000418335356 304482111 /nfs/dbraw/zinc/48/21/11/304482111.db2.gz ZLYXVEMLGXXHOG-KRWDZBQOSA-N 2 0 327.432 1.561 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000167416554 226190289 /nfs/dbraw/zinc/19/02/89/226190289.db2.gz XIFCDUZSQIEFDQ-UHFFFAOYSA-N 2 0 345.487 1.649 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000168880286 226226560 /nfs/dbraw/zinc/22/65/60/226226560.db2.gz ZPNQVIDMNBPZMQ-OAHLLOKOSA-N 2 0 325.522 1.996 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000122139340 222022391 /nfs/dbraw/zinc/02/23/91/222022391.db2.gz FIIZKPOYAUGJBB-OAHLLOKOSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000123257820 222244377 /nfs/dbraw/zinc/24/43/77/222244377.db2.gz YJEZYARQFNMRJD-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418391775 304490100 /nfs/dbraw/zinc/49/01/00/304490100.db2.gz VFPJYAFKBUOMFY-DQPZFDDXSA-N 2 0 334.464 1.867 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418403613 304492479 /nfs/dbraw/zinc/49/24/79/304492479.db2.gz BVVVSGUUTVYTSG-DLBZAZTESA-N 3 0 341.544 1.419 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418504447 304504931 /nfs/dbraw/zinc/50/49/31/304504931.db2.gz AGQRFXZUVJDYJJ-HOTGVXAUSA-N 2 0 337.512 1.068 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1)c1ccccc1 ZINC000274605075 268167488 /nfs/dbraw/zinc/16/74/88/268167488.db2.gz MJVBJNAUTLJRHM-RLLQIKCJSA-N 2 0 345.487 1.953 20 0 EDADRP COC(=O)CNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274814386 268212747 /nfs/dbraw/zinc/21/27/47/268212747.db2.gz IMLTUFVIEKGJGI-WBVHZDCISA-N 2 0 347.459 1.166 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC([NH+](C)C)C3)c2)CC1 ZINC000274848018 268221550 /nfs/dbraw/zinc/22/15/50/268221550.db2.gz WAELZLXNQIZFJJ-UHFFFAOYSA-N 2 0 331.464 1.606 20 0 EDADRP Nc1cc[nH+]cc1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000275400700 268337476 /nfs/dbraw/zinc/33/74/76/268337476.db2.gz BUBXRMXILAGPHU-UHFFFAOYSA-N 2 0 339.443 1.606 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000275932526 268384737 /nfs/dbraw/zinc/38/47/37/268384737.db2.gz KRDYYNJSFGURLA-MSOLQXFVSA-N 2 0 330.476 1.989 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000273156439 273030491 /nfs/dbraw/zinc/03/04/91/273030491.db2.gz ZYEYKRCUFLBLCK-KRWDZBQOSA-N 2 0 345.487 1.867 20 0 EDADRP COc1ccccc1-n1nccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000281645119 273505729 /nfs/dbraw/zinc/50/57/29/273505729.db2.gz MMSQQBKFUCGBKQ-UHFFFAOYSA-N 2 0 343.475 1.608 20 0 EDADRP C[C@H](C[NH3+])C(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000285779906 274647127 /nfs/dbraw/zinc/64/71/27/274647127.db2.gz NAVMOXNJUODODP-CYBMUJFWSA-N 2 0 339.867 1.894 20 0 EDADRP CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000420013447 276060109 /nfs/dbraw/zinc/06/01/09/276060109.db2.gz LEURMDZVIZAPNI-BFYDXBDKSA-N 2 0 346.475 1.134 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000345102516 276361406 /nfs/dbraw/zinc/36/14/06/276361406.db2.gz HHJFAOWIKSFOCG-OKZBNKHCSA-N 2 0 336.524 1.345 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(C)n1 ZINC000347947350 276370826 /nfs/dbraw/zinc/37/08/26/276370826.db2.gz SMXALHFEMZOKST-MRXNPFEDSA-N 2 0 333.480 1.582 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000350321662 276388480 /nfs/dbraw/zinc/38/84/80/276388480.db2.gz RQQISCGWQNBTOX-LJQANCHMSA-N 2 0 344.503 1.345 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CCN(CC(F)(F)F)CC3)C2)CC1 ZINC000370624407 277027972 /nfs/dbraw/zinc/02/79/72/277027972.db2.gz KYSNRGWLLRRKPP-OAHLLOKOSA-N 2 0 348.457 1.771 20 0 EDADRP C[NH+]1CC[C@@H](NC(=O)NC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000366854514 277063120 /nfs/dbraw/zinc/06/31/20/277063120.db2.gz PUYXCMHNEGXZIY-BRWVUGGUSA-N 2 0 334.439 1.964 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C1 ZINC000348703196 277310161 /nfs/dbraw/zinc/31/01/61/277310161.db2.gz NINVCXVFRNEYGP-KZNAEPCWSA-N 2 0 337.508 1.961 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000179853299 277637778 /nfs/dbraw/zinc/63/77/78/277637778.db2.gz KRWSBMMMZIXYGV-QAPCUYQASA-N 2 0 333.476 1.628 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@@H]1C ZINC000351169864 278291098 /nfs/dbraw/zinc/29/10/98/278291098.db2.gz RFRCYZFFENDEFZ-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504837 278335975 /nfs/dbraw/zinc/33/59/75/278335975.db2.gz ITLWWARFOMCZMM-GJZGRUSLSA-N 2 0 336.480 1.466 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000351002535 279142093 /nfs/dbraw/zinc/14/20/93/279142093.db2.gz OCQJWJHFSUJDAC-XHSDSOJGSA-N 2 0 340.512 1.212 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC1 ZINC000102066479 279193678 /nfs/dbraw/zinc/19/36/78/279193678.db2.gz OLTMABLDEKYWJX-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000369046801 279335518 /nfs/dbraw/zinc/33/55/18/279335518.db2.gz ITDBDANJKBFKQZ-INMHGKMJSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000347890734 279350049 /nfs/dbraw/zinc/35/00/49/279350049.db2.gz AVMYCQXIVGQXGG-CRAIPNDOSA-N 2 0 335.496 1.602 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000174735784 279361823 /nfs/dbraw/zinc/36/18/23/279361823.db2.gz LJOPAIOVDBIDHX-CVEARBPZSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)[C@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H](C)[NH3+] ZINC000423357613 280176080 /nfs/dbraw/zinc/17/60/80/280176080.db2.gz MJZYVBKHGQEHHG-YOEHRIQHSA-N 2 0 348.491 1.214 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000332272833 288217725 /nfs/dbraw/zinc/21/77/25/288217725.db2.gz GWZBRHFDIYFDCA-INMHGKMJSA-N 2 0 330.476 1.886 20 0 EDADRP O=C1O[C@]2(CN1C[N@@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860429 280312798 /nfs/dbraw/zinc/31/27/98/280312798.db2.gz ZTAVJVIZDYGXPL-MJGOQNOKSA-N 2 0 349.475 1.752 20 0 EDADRP O=C(CCc1ncc[nH]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000287417343 288233321 /nfs/dbraw/zinc/23/33/21/288233321.db2.gz RJNPVBFTGNGQQD-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP C[NH+](C)C1(C(=O)NC[C@H](O)C[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000372110436 282025801 /nfs/dbraw/zinc/02/58/01/282025801.db2.gz DKPIZAOOQVOZKC-SFHVURJKSA-N 2 0 345.487 1.049 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CCC1 ZINC000336959075 282032454 /nfs/dbraw/zinc/03/24/54/282032454.db2.gz AYWDSVMMWOJLAV-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC[NH2+]C1 ZINC000378186942 292660445 /nfs/dbraw/zinc/66/04/45/292660445.db2.gz GIBRKWRPYGMDNN-MJGOQNOKSA-N 2 0 333.476 1.942 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000290244996 288865206 /nfs/dbraw/zinc/86/52/06/288865206.db2.gz VUJQZSDIFJVBID-MOPGFXCFSA-N 2 0 345.487 1.648 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)C(C)(C)C ZINC000417681742 289182317 /nfs/dbraw/zinc/18/23/17/289182317.db2.gz QOCCMOFAZKRVCD-CVEARBPZSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@@H](CN1CCN(C)CC1)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000292006212 289237152 /nfs/dbraw/zinc/23/71/52/289237152.db2.gz VHBBUVHHVKUKQX-INIZCTEOSA-N 2 0 328.464 1.052 20 0 EDADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000494366895 289734041 /nfs/dbraw/zinc/73/40/41/289734041.db2.gz XGDPDODXPUHVJC-PMPSAXMXSA-N 2 0 342.528 1.904 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333836346 295207535 /nfs/dbraw/zinc/20/75/35/295207535.db2.gz UILLVHFKLFVKTA-ZQVUSRCWSA-N 2 0 346.519 1.924 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NCCCC[NH3+])[NH+]1CCCC1 ZINC000416832641 295383698 /nfs/dbraw/zinc/38/36/98/295383698.db2.gz IPFPCRAGQLZWPR-MRXNPFEDSA-N 2 0 334.464 1.870 20 0 EDADRP CSC1(C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)CC[NH+](C)CC1 ZINC000353618432 295583000 /nfs/dbraw/zinc/58/30/00/295583000.db2.gz GFXAIIGDVJCZFB-CYBMUJFWSA-N 2 0 334.551 1.617 20 0 EDADRP C[NH+](C)CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418571821 304514256 /nfs/dbraw/zinc/51/42/56/304514256.db2.gz RZADTEWNUQRLQF-WFASDCNBSA-N 2 0 326.391 1.271 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418652083 304525650 /nfs/dbraw/zinc/52/56/50/304525650.db2.gz MKFNDZRWFFLKHI-LISAXSMJSA-N 2 0 330.476 1.936 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCCCC2)CCCC1 ZINC000418833631 304536923 /nfs/dbraw/zinc/53/69/23/304536923.db2.gz LABPMHWAQNFJKE-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000423356461 304598620 /nfs/dbraw/zinc/59/86/20/304598620.db2.gz JTIPNNHOZMGEJM-IRXDYDNUSA-N 2 0 331.464 1.508 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])C(C)C ZINC000419661526 304653848 /nfs/dbraw/zinc/65/38/48/304653848.db2.gz FOWHMEUPUOXLJC-CVEARBPZSA-N 2 0 340.512 1.340 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000419821948 304690600 /nfs/dbraw/zinc/69/06/00/304690600.db2.gz WABWBWAIVDPIMR-SJORKVTESA-N 2 0 346.475 1.039 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@@H](C)[C@H](C)COC)CC2)CC1 ZINC000422027176 447313769 /nfs/dbraw/zinc/31/37/69/447313769.db2.gz WBXNLRQZNGVPSF-SJORKVTESA-N 2 0 339.524 1.924 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420374675 304753228 /nfs/dbraw/zinc/75/32/28/304753228.db2.gz OIHHYSSOJAHMNA-KGLIPLIRSA-N 2 0 325.478 1.587 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000448465866 447321815 /nfs/dbraw/zinc/32/18/15/447321815.db2.gz KDUPSJQVDGBYJI-KRWDZBQOSA-N 2 0 342.528 1.574 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@H]([NH3+])c2ccccc2C)CC1 ZINC000294716404 303138536 /nfs/dbraw/zinc/13/85/36/303138536.db2.gz BORQZSBFWZRHNX-QGZVFWFLSA-N 2 0 347.459 1.386 20 0 EDADRP COCCOC[C@@H](O)C[N@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000294993623 303160389 /nfs/dbraw/zinc/16/03/89/303160389.db2.gz QZCSTSCCIOPGLK-IBGZPJMESA-N 2 0 336.476 1.607 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000294995254 303160864 /nfs/dbraw/zinc/16/08/64/303160864.db2.gz HVSWJEAYZJXSMF-HNNXBMFYSA-N 2 0 333.476 1.648 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC(=O)N1 ZINC000295045778 303167113 /nfs/dbraw/zinc/16/71/13/303167113.db2.gz PCBWZEIHSHNULA-OAHLLOKOSA-N 2 0 330.476 1.537 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000448521341 447327413 /nfs/dbraw/zinc/32/74/13/447327413.db2.gz OCVOHDCGPJRZFO-VYDXJSESSA-N 2 0 342.553 1.795 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NCC[NH+]1CCC(O)CC1 ZINC000297115285 303361091 /nfs/dbraw/zinc/36/10/91/303361091.db2.gz YJEZCPRWPHEDPB-VQIMIIECSA-N 2 0 345.487 1.327 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000297293787 303382300 /nfs/dbraw/zinc/38/23/00/303382300.db2.gz ACSZMYHMDWVIAJ-UHFFFAOYSA-N 2 0 331.508 1.666 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000303233006 303743461 /nfs/dbraw/zinc/74/34/61/303743461.db2.gz XHLQOGPMEKQKNP-JFIYKMOQSA-N 2 0 325.497 1.017 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1)[NH+](C)C ZINC000414869958 447335770 /nfs/dbraw/zinc/33/57/70/447335770.db2.gz BXOWBJZNKAMYNK-KRWDZBQOSA-N 2 0 348.491 1.827 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@@H](OC)C2(CC)CC)CC1 ZINC000411631294 303901607 /nfs/dbraw/zinc/90/16/07/303901607.db2.gz MBSHMPITDCWSBR-HZPDHXFCSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000414878503 447340216 /nfs/dbraw/zinc/34/02/16/447340216.db2.gz NXKPJVMLSDQBNA-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+]C(C)(C)CN2CCOCC2)CC1 ZINC000411997595 303948495 /nfs/dbraw/zinc/94/84/95/303948495.db2.gz JEKYRNKGHVERMW-UHFFFAOYSA-N 2 0 326.529 1.103 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](O)C2CCCCC2)CC[NH2+]CC1 ZINC000422705847 304878951 /nfs/dbraw/zinc/87/89/51/304878951.db2.gz SIXRDPRKPGEBSA-GDBMZVCRSA-N 2 0 326.481 1.839 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000423192332 304889052 /nfs/dbraw/zinc/88/90/52/304889052.db2.gz UMUNKQJVHCXBRC-MRXNPFEDSA-N 3 0 346.519 1.991 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423273573 304890856 /nfs/dbraw/zinc/89/08/56/304890856.db2.gz LDOFDUACXHIWLK-DYVFJYSZSA-N 2 0 337.489 1.691 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423313593 304892178 /nfs/dbraw/zinc/89/21/78/304892178.db2.gz WZIJFNQCERRXLE-YOEHRIQHSA-N 2 0 337.489 1.627 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2NCCc3ccccc32)CC[NH2+]CC1 ZINC000423443353 304896496 /nfs/dbraw/zinc/89/64/96/304896496.db2.gz XCHSBFADCJOAMD-YJBOKZPZSA-N 2 0 345.487 1.784 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000425408375 304963277 /nfs/dbraw/zinc/96/32/77/304963277.db2.gz SBERSXCTQUSHBN-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430570411 305056427 /nfs/dbraw/zinc/05/64/27/305056427.db2.gz GSZCKAZKQFNUAI-BFYDXBDKSA-N 2 0 325.497 1.900 20 0 EDADRP Cc1cccc2nc(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cn21 ZINC000430608069 305058562 /nfs/dbraw/zinc/05/85/62/305058562.db2.gz CCLHQNFNMADKEF-MRXNPFEDSA-N 2 0 341.459 1.287 20 0 EDADRP COc1ccc(OCC[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000430624157 305059896 /nfs/dbraw/zinc/05/98/96/305059896.db2.gz IJDZSWRBHJENTA-INIZCTEOSA-N 2 0 347.459 1.218 20 0 EDADRP [NH3+]C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430935418 305069199 /nfs/dbraw/zinc/06/91/99/305069199.db2.gz SUXPTBCYDXPLGV-AWEZNQCLSA-N 2 0 330.432 1.423 20 0 EDADRP C[C@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1[NH3+] ZINC000430937695 305069493 /nfs/dbraw/zinc/06/94/93/305069493.db2.gz DOTDGWLUQKQVPU-QFBILLFUSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000430943303 305069775 /nfs/dbraw/zinc/06/97/75/305069775.db2.gz ONATYBGUGJKDAX-GFCCVEGCSA-N 2 0 325.403 1.683 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430950280 305070107 /nfs/dbraw/zinc/07/01/07/305070107.db2.gz QQYKWRQBEHEDHY-OLZOCXBDSA-N 2 0 332.448 1.432 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000430956653 305070705 /nfs/dbraw/zinc/07/07/05/305070705.db2.gz LRZWQZPFDKJJOV-CQSZACIVSA-N 2 0 340.489 1.918 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000430961270 305071018 /nfs/dbraw/zinc/07/10/18/305071018.db2.gz CPYAENMYGHZKNU-GOEBONIOSA-N 2 0 347.459 1.263 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)C(C)(C)C[NH3+])CC1 ZINC000431032180 305073296 /nfs/dbraw/zinc/07/32/96/305073296.db2.gz ARSGRMNEOCJHCP-UHFFFAOYSA-N 2 0 348.491 1.261 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000431058010 305074072 /nfs/dbraw/zinc/07/40/72/305074072.db2.gz QLYMZFVRQGLNIU-BZUAXINKSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)([NH3+])c1noc(CN2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000431067607 305074130 /nfs/dbraw/zinc/07/41/30/305074130.db2.gz RBBITKMZPCFIRU-UHFFFAOYSA-N 3 0 337.468 1.340 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](CS(C)(=O)=O)C2)CC1 ZINC000433071999 305099712 /nfs/dbraw/zinc/09/97/12/305099712.db2.gz MMEJLQJVISPBKK-KRWDZBQOSA-N 2 0 345.553 1.159 20 0 EDADRP COC(=O)c1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433148426 305101808 /nfs/dbraw/zinc/10/18/08/305101808.db2.gz AUPFCYZBHXDMOU-UHFFFAOYSA-N 2 0 333.432 1.293 20 0 EDADRP CO[C@@]1(C)C[C@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433158555 305101879 /nfs/dbraw/zinc/10/18/79/305101879.db2.gz JYZPTKPWSCMQTI-YJBOKZPZSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)N(C)c1ccccc1 ZINC000433161074 305102189 /nfs/dbraw/zinc/10/21/89/305102189.db2.gz QEKUJRHXKXPAMI-INIZCTEOSA-N 2 0 332.492 1.831 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433341309 305106149 /nfs/dbraw/zinc/10/61/49/305106149.db2.gz RVBBOKMBUPVZJE-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)c1ccsc1 ZINC000433382984 305107059 /nfs/dbraw/zinc/10/70/59/305107059.db2.gz GPLLNSRKFPNGBW-KGLIPLIRSA-N 2 0 348.476 1.297 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000433384843 305107171 /nfs/dbraw/zinc/10/71/71/305107171.db2.gz KYNUUWWMAQACKX-INIZCTEOSA-N 2 0 342.447 1.559 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)[C@@H](C)C1 ZINC000433401358 305108031 /nfs/dbraw/zinc/10/80/31/305108031.db2.gz XRJGMVWAWIXXRB-BBWFWOEESA-N 2 0 340.512 1.515 20 0 EDADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)Nc1ccc(-c2nnc(C[NH3+])[nH]2)cc1 ZINC000434693656 305127768 /nfs/dbraw/zinc/12/77/68/305127768.db2.gz OBHCUOXDCULIET-GUYCJALGSA-N 2 0 328.420 1.777 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435373059 305139248 /nfs/dbraw/zinc/13/92/48/305139248.db2.gz LRQLMARQKBFYBN-CVEARBPZSA-N 2 0 331.460 1.857 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435382429 305139434 /nfs/dbraw/zinc/13/94/34/305139434.db2.gz ZUAPYPPYZBZJPS-ZBFHGGJFSA-N 2 0 331.460 1.761 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC[C@H]3CCOC3)CC2)C1 ZINC000438107984 305181401 /nfs/dbraw/zinc/18/14/01/305181401.db2.gz DXTLABCEILSXRK-ROUUACIJSA-N 2 0 325.497 1.140 20 0 EDADRP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065416 305234465 /nfs/dbraw/zinc/23/44/65/305234465.db2.gz ZTGYGAXGMIEVSB-OAHLLOKOSA-N 2 0 337.439 1.724 20 0 EDADRP Fc1cnccc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000449120828 305307107 /nfs/dbraw/zinc/30/71/07/305307107.db2.gz FNATXOAJNIQSGG-UHFFFAOYSA-N 2 0 344.438 1.703 20 0 EDADRP COc1ccc(-n2cc(C[NH2+]CC3(O)CC[NH+](C)CC3)cn2)cc1 ZINC000449164803 305308519 /nfs/dbraw/zinc/30/85/19/305308519.db2.gz RFRUVINYRIMSKP-UHFFFAOYSA-N 2 0 330.432 1.427 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CCN2CCC(O)CC2)CC1 ZINC000449646930 305315640 /nfs/dbraw/zinc/31/56/40/305315640.db2.gz OXBSEJYQWXCQHM-UHFFFAOYSA-N 2 0 346.519 1.375 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2ccc(OC[C@H](O)C[NH+](C)C)cc2)CC[N@@H+]1C ZINC000450130541 305325623 /nfs/dbraw/zinc/32/56/23/305325623.db2.gz CWVCGBFHUULBBF-YQQAZPJKSA-N 2 0 349.475 1.657 20 0 EDADRP CCc1cc(NCCC[NH+]2CCN(c3ncccn3)CC2)cc[nH+]1 ZINC000450237457 305328056 /nfs/dbraw/zinc/32/80/56/305328056.db2.gz MRUOTCREYDZVNZ-UHFFFAOYSA-N 2 0 326.448 1.480 20 0 EDADRP CCN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1COC1 ZINC000451288889 305336497 /nfs/dbraw/zinc/33/64/97/305336497.db2.gz UNXGJHCSVGRAJL-UHFFFAOYSA-N 2 0 331.460 1.619 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000451997770 305377305 /nfs/dbraw/zinc/37/73/05/305377305.db2.gz ZUILWCRMKKLOHH-GOSISDBHSA-N 2 0 349.519 1.740 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000452385959 305396361 /nfs/dbraw/zinc/39/63/61/305396361.db2.gz VVMAUJOBHITROQ-DLBZAZTESA-N 2 0 337.508 1.604 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495748055 305647564 /nfs/dbraw/zinc/64/75/64/305647564.db2.gz RTNXBDVVQVSEOC-LSDHHAIUSA-N 2 0 340.512 1.467 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414913661 447354722 /nfs/dbraw/zinc/35/47/22/447354722.db2.gz WLORUQKDPIUHKY-HUUCEWRRSA-N 2 0 346.475 1.835 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000516742448 305740529 /nfs/dbraw/zinc/74/05/29/305740529.db2.gz WYLQRKBZYSVMBN-PBHICJAKSA-N 2 0 332.448 1.843 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000419702226 447358898 /nfs/dbraw/zinc/35/88/98/447358898.db2.gz ASMVZZLUHHHZKY-DOTOQJQBSA-N 2 0 346.475 1.183 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)C1CCCCC1 ZINC000517718407 305755391 /nfs/dbraw/zinc/75/53/91/305755391.db2.gz QPPRWPGVACNXHC-HZPDHXFCSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)CCCCC(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000517990856 305757960 /nfs/dbraw/zinc/75/79/60/305757960.db2.gz FOFAEDWPQDBZNH-UHFFFAOYSA-N 2 0 347.507 1.524 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000519635744 305771741 /nfs/dbraw/zinc/77/17/41/305771741.db2.gz AHXSUYGPLFBGRG-KRWDZBQOSA-N 2 0 346.475 1.056 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000519825423 305775935 /nfs/dbraw/zinc/77/59/35/305775935.db2.gz JLTALZLYRFMSCT-GJZGRUSLSA-N 2 0 346.475 1.505 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1 ZINC000414930427 447361852 /nfs/dbraw/zinc/36/18/52/447361852.db2.gz AVHZXSDJJGGMMX-WWGRRREGSA-N 2 0 333.432 1.778 20 0 EDADRP C[C@H](CNC(=O)NC(C)(C)CCC[NH+](C)C)C[NH+]1CCN(C)CC1 ZINC000458438207 447366937 /nfs/dbraw/zinc/36/69/37/447366937.db2.gz LOZGFACUAJDIRI-MRXNPFEDSA-N 2 0 341.544 1.290 20 0 EDADRP C[C@H](NC(=O)[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896824 306049295 /nfs/dbraw/zinc/04/92/95/306049295.db2.gz HWANZTRJWSHBIW-JXFKEZNVSA-N 2 0 343.471 1.390 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000553164495 306183398 /nfs/dbraw/zinc/18/33/98/306183398.db2.gz SRZTYIWMVOWYFK-KRWDZBQOSA-N 2 0 337.508 1.727 20 0 EDADRP CN1CCNC[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000414971664 447380408 /nfs/dbraw/zinc/38/04/08/447380408.db2.gz IPFYWGLDJISOQL-GOSISDBHSA-N 2 0 336.911 1.798 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000415113864 447390114 /nfs/dbraw/zinc/39/01/14/447390114.db2.gz SAIRRJSQWKUGPU-QGZVFWFLSA-N 2 0 342.443 1.315 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)C[C@H]2CCC[NH+]2C)CCCO1 ZINC000422207837 447403770 /nfs/dbraw/zinc/40/37/70/447403770.db2.gz QPYCHPCKYDHDFM-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CS(=O)(=O)[C@@H]1CN(CCCn2ccnc2)C[C@H]1C(F)(F)F ZINC000661188311 453751816 /nfs/dbraw/zinc/75/18/16/453751816.db2.gz YWBDGIQJUHNVSJ-GHMZBOCLSA-N 2 0 325.356 1.181 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458568447 447415323 /nfs/dbraw/zinc/41/53/23/447415323.db2.gz JKRNDLNFELHUKN-OFLPRAFFSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415428051 447429574 /nfs/dbraw/zinc/42/95/74/447429574.db2.gz OBAQBKGAZBXKCX-DOTOQJQBSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)c1ccccc1 ZINC000419821942 447432866 /nfs/dbraw/zinc/43/28/66/447432866.db2.gz WABWBWAIVDPIMR-DLBZAZTESA-N 2 0 346.475 1.039 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419822978 447433994 /nfs/dbraw/zinc/43/39/94/447433994.db2.gz XBXWTLOSGKNHJL-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP CCCC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000046773377 441122953 /nfs/dbraw/zinc/12/29/53/441122953.db2.gz FSKYPYIEJXDZDU-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP CCNC(=O)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057843814 441138051 /nfs/dbraw/zinc/13/80/51/441138051.db2.gz YTNJQPAPEFULTH-UHFFFAOYSA-N 2 0 346.475 1.676 20 0 EDADRP C[C@H](CNC(=O)NCc1ccccc1OCC[NH+](C)C)[N@H+](C)C1CC1 ZINC000105205385 441242397 /nfs/dbraw/zinc/24/23/97/441242397.db2.gz WMCWRCRFLLYTAF-OAHLLOKOSA-N 2 0 348.491 1.909 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)NC(=O)NC(C)(C)C)CC1 ZINC000047977711 441245086 /nfs/dbraw/zinc/24/50/86/441245086.db2.gz VSDRUKLELAWGQC-UHFFFAOYSA-N 2 0 326.485 1.665 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000073074747 441291053 /nfs/dbraw/zinc/29/10/53/441291053.db2.gz XSQRDXJZKTZKBB-QGZVFWFLSA-N 2 0 342.487 1.552 20 0 EDADRP CC[NH+](CC)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000081767947 441310827 /nfs/dbraw/zinc/31/08/27/441310827.db2.gz FXCBVVBZWCBXJA-UHFFFAOYSA-N 2 0 333.476 1.601 20 0 EDADRP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000028887808 441439191 /nfs/dbraw/zinc/43/91/91/441439191.db2.gz PRMMCVQQYXPUCS-AWEZNQCLSA-N 2 0 346.475 1.995 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000074846666 441471389 /nfs/dbraw/zinc/47/13/89/441471389.db2.gz PEVABOYYEIOVAV-MRXNPFEDSA-N 2 0 334.508 1.987 20 0 EDADRP CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000075021860 441487834 /nfs/dbraw/zinc/48/78/34/441487834.db2.gz FNDRLKMTVQPLJE-GVDBMIGSSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000108567665 441464434 /nfs/dbraw/zinc/46/44/34/441464434.db2.gz YUUILNDQDCJYFZ-MRXNPFEDSA-N 2 0 348.491 1.768 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111838691 441542078 /nfs/dbraw/zinc/54/20/78/441542078.db2.gz BXPALNLFGPUWED-JKSUJKDBSA-N 2 0 340.512 1.110 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000112918377 441569061 /nfs/dbraw/zinc/56/90/61/441569061.db2.gz QIKYMHMAUKRZMC-UHFFFAOYSA-N 2 0 344.503 1.650 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000090121582 441621970 /nfs/dbraw/zinc/62/19/70/441621970.db2.gz NDWWKJQZEAQCSF-RTBURBONSA-N 2 0 344.503 1.694 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)c1cnn(C)c1 ZINC000090121613 441622166 /nfs/dbraw/zinc/62/21/66/441622166.db2.gz GPNQXQXFPVVYRL-CQSZACIVSA-N 2 0 329.448 1.562 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000076310081 441627563 /nfs/dbraw/zinc/62/75/63/441627563.db2.gz IZTYWHCITDUUKZ-INIZCTEOSA-N 2 0 329.488 1.934 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)s1 ZINC000090580182 441635939 /nfs/dbraw/zinc/63/59/39/441635939.db2.gz DVTLLMKBVZZJHI-FZMZJTMJSA-N 2 0 345.534 1.573 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000136966185 441735133 /nfs/dbraw/zinc/73/51/33/441735133.db2.gz YYFJWRFPANRSQO-WBVHZDCISA-N 2 0 345.491 1.888 20 0 EDADRP COc1ccc(C[NH2+]CC2(O)CC[NH+](C)CC2)cc1OC(F)F ZINC000077450198 441782600 /nfs/dbraw/zinc/78/26/00/441782600.db2.gz VGUBZVWTGMZBFL-UHFFFAOYSA-N 2 0 330.375 1.843 20 0 EDADRP COCCCNC(=O)[C@@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173976707 441872300 /nfs/dbraw/zinc/87/23/00/441872300.db2.gz XIGWIJNXSWDQGV-MJGOQNOKSA-N 2 0 347.503 1.982 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@@H]21 ZINC000139856789 441827155 /nfs/dbraw/zinc/82/71/55/441827155.db2.gz SJNUDQWHQNFHKW-BBRMVZONSA-N 2 0 330.432 1.140 20 0 EDADRP C[C@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000123038037 441873292 /nfs/dbraw/zinc/87/32/92/441873292.db2.gz HJSXABYHZZAYOU-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)C)C1 ZINC000140476007 441838485 /nfs/dbraw/zinc/83/84/85/441838485.db2.gz QUFQBLAUDFPORX-DLBZAZTESA-N 2 0 325.497 1.580 20 0 EDADRP Cc1cc(C)cc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000077874653 441881227 /nfs/dbraw/zinc/88/12/27/441881227.db2.gz FVRQSTLQXFJJNZ-UHFFFAOYSA-N 2 0 334.508 1.981 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H](c1cccs1)N1CCOCC1)C1CC1 ZINC000151253133 442031663 /nfs/dbraw/zinc/03/16/63/442031663.db2.gz VMFYOHDJXAWAMY-OAHLLOKOSA-N 2 0 337.489 1.722 20 0 EDADRP Cc1csc(N2CCC([NH2+]C[C@@H](O)C[NH+]3CCCCC3)CC2)n1 ZINC000151264590 442034382 /nfs/dbraw/zinc/03/43/82/442034382.db2.gz LBDHBVCRCJNJBN-MRXNPFEDSA-N 2 0 338.521 1.857 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000079297018 442036647 /nfs/dbraw/zinc/03/66/47/442036647.db2.gz AECYJARQEMAIEX-INIZCTEOSA-N 2 0 331.464 1.788 20 0 EDADRP COc1ccccc1CNC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000079492528 442054066 /nfs/dbraw/zinc/05/40/66/442054066.db2.gz ZPWOLCMGJALRNT-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCCCC1 ZINC000151434770 442060819 /nfs/dbraw/zinc/06/08/19/442060819.db2.gz NBEYBBOFBXRUPD-INIZCTEOSA-N 2 0 340.512 1.207 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C3CC3)[NH+]3CCCC3)nc2)CC1 ZINC000126206985 442088635 /nfs/dbraw/zinc/08/86/35/442088635.db2.gz KAYJLIRJUCBIAJ-GOSISDBHSA-N 2 0 343.475 1.646 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@H]1CCC[NH+](C)C1)Cc1ccc(F)cc1 ZINC000175748259 442115699 /nfs/dbraw/zinc/11/56/99/442115699.db2.gz DVOVSZFAAXHXPO-MRXNPFEDSA-N 2 0 336.455 1.899 20 0 EDADRP COc1cc(CN(C)CC(=O)N2CCN(C)CC2)ccc1SC ZINC000120875795 442145485 /nfs/dbraw/zinc/14/54/85/442145485.db2.gz VIYPYUTWWYRCKZ-UHFFFAOYSA-N 2 0 337.489 1.623 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C[NH2+]C[C@@H]2CCCO2)[NH+](C)C)cc1 ZINC000163600921 442175420 /nfs/dbraw/zinc/17/54/20/442175420.db2.gz NKUXRSJUUIFBRN-ZWKOTPCHSA-N 2 0 333.476 1.737 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000121130552 442180982 /nfs/dbraw/zinc/18/09/82/442180982.db2.gz CLOZHMKBRJKKSA-HZPDHXFCSA-N 2 0 347.463 1.070 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)nnn1C1CC[NH2+]CC1 ZINC000165534115 442210096 /nfs/dbraw/zinc/21/00/96/442210096.db2.gz LFAUMLRBLVXKGG-MRXNPFEDSA-N 2 0 346.479 1.211 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)C2([NH3+])Cc3ccccc3C2)ccc1F ZINC000168814400 442225196 /nfs/dbraw/zinc/22/51/96/442225196.db2.gz LNTVRHKNTSBTQM-UHFFFAOYSA-N 2 0 341.430 2.000 20 0 EDADRP C[C@H](C(=O)N1C[C@@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129544198 442321572 /nfs/dbraw/zinc/32/15/72/442321572.db2.gz UACHAGYRBRQWCD-WNRNVDISSA-N 2 0 337.508 1.534 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000177865103 442391901 /nfs/dbraw/zinc/39/19/01/442391901.db2.gz HOJLQLSQFCYJQR-HNNXBMFYSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)NC(=O)CC2 ZINC000132502798 442394642 /nfs/dbraw/zinc/39/46/42/442394642.db2.gz IYBOBEAMFMIQBH-UHFFFAOYSA-N 2 0 347.463 1.528 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155755642 442424975 /nfs/dbraw/zinc/42/49/75/442424975.db2.gz ZAPZORFFSDZEFQ-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178811331 442492619 /nfs/dbraw/zinc/49/26/19/442492619.db2.gz IQHLDDQIIOSFFC-UHFFFAOYSA-N 2 0 333.476 1.392 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000178857289 442505193 /nfs/dbraw/zinc/50/51/93/442505193.db2.gz MTZPRSFEHDPUMQ-JZXOWHBKSA-N 2 0 337.508 1.866 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)cc1 ZINC000186481770 442542948 /nfs/dbraw/zinc/54/29/48/442542948.db2.gz NCIBRVZVKQUZNR-RTBURBONSA-N 2 0 339.439 1.511 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000178881906 442513330 /nfs/dbraw/zinc/51/33/30/442513330.db2.gz LHBAFQBFNGPNIL-QGZVFWFLSA-N 2 0 344.503 1.060 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000178891891 442516923 /nfs/dbraw/zinc/51/69/23/442516923.db2.gz KEVISICKHHUDDO-OAHLLOKOSA-N 2 0 346.475 1.775 20 0 EDADRP CN(CC(C)(C)CN1CCOCC1)C(=O)NCCCn1ccnc1 ZINC000178925546 442527664 /nfs/dbraw/zinc/52/76/64/442527664.db2.gz ACRJMNYSDBAQGC-UHFFFAOYSA-N 2 0 337.468 1.273 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000179122984 442576886 /nfs/dbraw/zinc/57/68/86/442576886.db2.gz JYILVMPKOKIGQG-SFHVURJKSA-N 2 0 330.476 1.651 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)CC1 ZINC000180753632 442655629 /nfs/dbraw/zinc/65/56/29/442655629.db2.gz VASUGZAITJYPIE-JKSUJKDBSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCC[C@@H]3C[NH3+])CC2)c1 ZINC000157921678 442627713 /nfs/dbraw/zinc/62/77/13/442627713.db2.gz MKEYMNNXAFMUSW-MJGOQNOKSA-N 2 0 344.503 1.751 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CC[N@H+](CC(C)(C)O)C[C@H]2C)CC1 ZINC000192838751 442691595 /nfs/dbraw/zinc/69/15/95/442691595.db2.gz TUYRILBSHJRTDS-GOSISDBHSA-N 2 0 340.556 1.180 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)C1 ZINC000187949426 442700054 /nfs/dbraw/zinc/70/00/54/442700054.db2.gz VPTHNSCCLADTMK-JCGIZDLHSA-N 2 0 331.460 1.705 20 0 EDADRP C[C@H]1COCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000192559064 442662413 /nfs/dbraw/zinc/66/24/13/442662413.db2.gz MZNPCLWTNKEZJS-SNRMKQJTSA-N 2 0 345.487 1.899 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CCCO1 ZINC000182228503 442748186 /nfs/dbraw/zinc/74/81/86/442748186.db2.gz LSEUQNCYGGQVTN-IXDOHACOSA-N 2 0 341.496 1.007 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000188445814 442750928 /nfs/dbraw/zinc/75/09/28/442750928.db2.gz VMOKVEKILCFDHD-VQTJNVASSA-N 2 0 348.487 1.784 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188742485 442801668 /nfs/dbraw/zinc/80/16/68/442801668.db2.gz WXSOVJWEHTWPPK-VNHYZAJKSA-N 2 0 325.453 1.776 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188881215 442834364 /nfs/dbraw/zinc/83/43/64/442834364.db2.gz ZRKJYKMAMFKHFZ-UHFFFAOYSA-N 2 0 341.459 1.779 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000194134501 442849799 /nfs/dbraw/zinc/84/97/99/442849799.db2.gz MHAXDGRRCRGDKV-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccccc1 ZINC000194367382 442883682 /nfs/dbraw/zinc/88/36/82/442883682.db2.gz VBRCEARWFHNPSJ-GFCCVEGCSA-N 2 0 346.460 1.152 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000265637438 442855496 /nfs/dbraw/zinc/85/54/96/442855496.db2.gz LEACMPKEDKDJDR-SNAWJCMRSA-N 2 0 330.476 1.168 20 0 EDADRP CN(c1ccccc1C[NH2+]CC(=O)NC1CC1)C1CC[NH+](C)CC1 ZINC000268312210 442943038 /nfs/dbraw/zinc/94/30/38/442943038.db2.gz CDMKHEXWCLLEFL-UHFFFAOYSA-N 2 0 330.476 1.585 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC[NH+](C)C)c(C)c2)CC1 ZINC000194725198 318592748 /nfs/dbraw/zinc/59/27/48/318592748.db2.gz LGYHFAXPBXRXEL-UHFFFAOYSA-N 2 0 333.480 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000249762419 443003688 /nfs/dbraw/zinc/00/36/88/443003688.db2.gz MHAXDGRRCRGDKV-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C[C@@H]1[NH+](C)C ZINC000266234916 443068415 /nfs/dbraw/zinc/06/84/15/443068415.db2.gz UFIOUWVJPHUQBS-QRQLOZEOSA-N 2 0 345.487 1.686 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268793263 443109470 /nfs/dbraw/zinc/10/94/70/443109470.db2.gz FDCKBHRFYCMDST-AEFFLSMTSA-N 2 0 345.487 1.769 20 0 EDADRP [NH3+][C@H]1CC[C@@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000185028520 443120978 /nfs/dbraw/zinc/12/09/78/443120978.db2.gz DOYIFIUMSHGQJM-QRQLOZEOSA-N 2 0 342.487 1.394 20 0 EDADRP C[C@@H](NC(=O)C[NH2+]C1CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237602361 443176019 /nfs/dbraw/zinc/17/60/19/443176019.db2.gz UJCDZNKEMCHCOK-CYBMUJFWSA-N 2 0 334.439 1.507 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)CC1 ZINC000261966103 443176088 /nfs/dbraw/zinc/17/60/88/443176088.db2.gz QBBOVHFGAAASAQ-IPMKNSEASA-N 2 0 338.540 1.007 20 0 EDADRP CCN(C)C(=O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000185177052 443155056 /nfs/dbraw/zinc/15/50/56/443155056.db2.gz RHXOOGQQGCMWAG-UHFFFAOYSA-N 2 0 332.492 1.785 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)C[C@H]1C ZINC000185573655 443221629 /nfs/dbraw/zinc/22/16/29/443221629.db2.gz HTWCDGXIDXFJOB-HUUCEWRRSA-N 2 0 340.512 1.346 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H](c2ccccc2)C1 ZINC000262641473 443205214 /nfs/dbraw/zinc/20/52/14/443205214.db2.gz KUKJCCRJPVYDCJ-QZTJIDSGSA-N 2 0 346.519 1.855 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000262765802 443211951 /nfs/dbraw/zinc/21/19/51/443211951.db2.gz SCQGXBRLRSXBIL-GDBMZVCRSA-N 2 0 331.464 1.175 20 0 EDADRP CCS(=O)(=O)NCCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730472 443246044 /nfs/dbraw/zinc/24/60/44/443246044.db2.gz UXTPVKGVUIJAOR-CABCVRRESA-N 2 0 331.526 1.558 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CCCCCC[NH3+])cc1 ZINC000269252185 443251353 /nfs/dbraw/zinc/25/13/53/443251353.db2.gz HXTKZMZKKWRJDM-UHFFFAOYSA-N 2 0 348.491 1.503 20 0 EDADRP Cc1cc(NC(=O)C[C@@H]2C[NH2+]CCO2)ccc1OCC[NH+]1CCCC1 ZINC000269254297 443252115 /nfs/dbraw/zinc/25/21/15/443252115.db2.gz JCRNAFZKCYRGDS-QGZVFWFLSA-N 2 0 347.459 1.787 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000269253965 443252648 /nfs/dbraw/zinc/25/26/48/443252648.db2.gz QYOUOUQGAOXBGN-INIZCTEOSA-N 2 0 349.500 1.861 20 0 EDADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411801845 319204807 /nfs/dbraw/zinc/20/48/07/319204807.db2.gz ZTXUWGZLXSJWHQ-CVEARBPZSA-N 2 0 339.480 1.297 20 0 EDADRP CCN(C)C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264274621 443256930 /nfs/dbraw/zinc/25/69/30/443256930.db2.gz BUSJLEPKQMBTDR-LJQANCHMSA-N 2 0 347.503 1.842 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000269261958 443255750 /nfs/dbraw/zinc/25/57/50/443255750.db2.gz WNTGEHKTXRVIKP-WBVHZDCISA-N 2 0 344.459 1.465 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000414201871 319318982 /nfs/dbraw/zinc/31/89/82/319318982.db2.gz YIBAZZPCTRORMV-KGLIPLIRSA-N 2 0 325.478 1.717 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)(N2CCOCC2)CC1 ZINC000414205286 319319410 /nfs/dbraw/zinc/31/94/10/319319410.db2.gz XHUUVUVALCAXAO-KURKYZTESA-N 2 0 349.519 1.330 20 0 EDADRP C[N@@H+](Cc1ccc(OC(F)F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414664903 319338412 /nfs/dbraw/zinc/33/84/12/319338412.db2.gz DABRJOORPJLHBU-CQSZACIVSA-N 2 0 341.402 1.917 20 0 EDADRP C[N@H+](CCOc1ccccc1Cl)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673141 319339514 /nfs/dbraw/zinc/33/95/14/319339514.db2.gz BVBGMYUHECXYLP-AWEZNQCLSA-N 2 0 339.867 1.848 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cc1 ZINC000414679942 319340540 /nfs/dbraw/zinc/34/05/40/319340540.db2.gz MHRXQEGBSDJKTA-MRXNPFEDSA-N 2 0 334.464 1.437 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414682251 319341843 /nfs/dbraw/zinc/34/18/43/319341843.db2.gz RCYSDGFZSFHMGN-HOTGVXAUSA-N 2 0 348.466 1.770 20 0 EDADRP [NH3+]C[C@@H](C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000269267163 443258517 /nfs/dbraw/zinc/25/85/17/443258517.db2.gz PSWBFFVPHZTHGG-QGZVFWFLSA-N 2 0 331.460 1.490 20 0 EDADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687966 319342674 /nfs/dbraw/zinc/34/26/74/319342674.db2.gz CIQYFTJMRLKLNS-JFIYKMOQSA-N 2 0 331.460 1.646 20 0 EDADRP Cc1cccc(C)c1OCCC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415087585 319346429 /nfs/dbraw/zinc/34/64/29/319346429.db2.gz WEQXYAVEXYDCOF-QGZVFWFLSA-N 2 0 333.476 1.859 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415741430 319369103 /nfs/dbraw/zinc/36/91/03/319369103.db2.gz JZIJQJABGDNCKS-PBHICJAKSA-N 2 0 344.459 1.212 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H]2C)c1 ZINC000415747172 319369529 /nfs/dbraw/zinc/36/95/29/319369529.db2.gz PLYIBUWYEVNILN-CZUORRHYSA-N 2 0 332.448 1.415 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000415824492 319375198 /nfs/dbraw/zinc/37/51/98/319375198.db2.gz VNQBETWMQSAJCF-KRWDZBQOSA-N 2 0 346.475 1.629 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H]([N@H+](C)CCO)[C@H]2C)c1 ZINC000415936327 319383608 /nfs/dbraw/zinc/38/36/08/319383608.db2.gz UANLSGDXELOESY-RHSMWYFYSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000416003230 319389250 /nfs/dbraw/zinc/38/92/50/319389250.db2.gz GKNAWCORWQJVON-CYBMUJFWSA-N 2 0 347.385 1.435 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)Cc2ccccc2C1 ZINC000266891194 443282183 /nfs/dbraw/zinc/28/21/83/443282183.db2.gz VBMRSJNJDWDVOX-GOSISDBHSA-N 2 0 342.487 1.575 20 0 EDADRP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1[NH+](C)C ZINC000266901342 443285130 /nfs/dbraw/zinc/28/51/30/443285130.db2.gz LIUSWUAEDYJCKQ-APWZRJJASA-N 2 0 344.503 1.456 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000185846976 443268829 /nfs/dbraw/zinc/26/88/29/443268829.db2.gz MJLNYEAJCVLTJQ-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416810362 319462381 /nfs/dbraw/zinc/46/23/81/319462381.db2.gz BQGMIKULKQZSSC-NVXWUHKLSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000416815857 319463269 /nfs/dbraw/zinc/46/32/69/319463269.db2.gz OKZVCDKUMULNSQ-BZPMIXESSA-N 2 0 338.452 1.341 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000416939188 319479577 /nfs/dbraw/zinc/47/95/77/319479577.db2.gz CERYRMYWVFINLM-MRXNPFEDSA-N 2 0 348.495 1.150 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CC1)[NH+]1CCOCC1 ZINC000416957973 319485729 /nfs/dbraw/zinc/48/57/29/319485729.db2.gz OMPMVRABAVEDEZ-JKSUJKDBSA-N 2 0 326.485 1.160 20 0 EDADRP CC(C)[C@H](O)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269666555 443387374 /nfs/dbraw/zinc/38/73/74/443387374.db2.gz IGLRUHUMSOFMNH-QGZVFWFLSA-N 2 0 334.464 1.117 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419131832 319559502 /nfs/dbraw/zinc/55/95/02/319559502.db2.gz GZQCDJQFMAWCEW-RRFJBIMHSA-N 2 0 340.512 1.197 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CCCO1 ZINC000278584142 443368529 /nfs/dbraw/zinc/36/85/29/443368529.db2.gz QDPARBHLNQPGOT-HKUYNNGSSA-N 2 0 347.503 1.776 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)[C@H](c1ccccc1)N1CCN(C)CC1 ZINC000264736602 443397960 /nfs/dbraw/zinc/39/79/60/443397960.db2.gz FVNVLXDHIBLMCP-WMZOPIPTSA-N 2 0 332.492 1.432 20 0 EDADRP C[N@H+](CCNC(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1)C1CC1 ZINC000272789123 443446318 /nfs/dbraw/zinc/44/63/18/443446318.db2.gz PNXSJSDNMCUHGG-SFHVURJKSA-N 2 0 346.475 1.147 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422639999 319723647 /nfs/dbraw/zinc/72/36/47/319723647.db2.gz UIHPFUZTQVRFGW-QGZVFWFLSA-N 2 0 330.476 1.233 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](CO)c2ccccc2)CC[NH2+]CC1 ZINC000423011666 319745677 /nfs/dbraw/zinc/74/56/77/319745677.db2.gz ZTUDRMBCGNNHJE-DOTOQJQBSA-N 2 0 334.460 1.674 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000423396729 319771263 /nfs/dbraw/zinc/77/12/63/319771263.db2.gz SKMROXAKVWFQEH-JSGCOSHPSA-N 2 0 346.431 1.483 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000423405093 319772149 /nfs/dbraw/zinc/77/21/49/319772149.db2.gz JCYASYHIIDIUNE-OAHLLOKOSA-N 2 0 331.460 1.891 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000272273492 443575382 /nfs/dbraw/zinc/57/53/82/443575382.db2.gz AJAWACVTTNEQTR-INIZCTEOSA-N 2 0 339.505 1.714 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000273148482 443551338 /nfs/dbraw/zinc/55/13/38/443551338.db2.gz YKHZRTYSVAODAV-SJORKVTESA-N 2 0 333.476 1.591 20 0 EDADRP Cc1n[nH]c(CC[NH2+]Cc2c(Cl)cccc2N2CC[NH+](C)CC2)n1 ZINC000272357045 443601765 /nfs/dbraw/zinc/60/17/65/443601765.db2.gz AZMWKLIMOGZAQC-UHFFFAOYSA-N 2 0 348.882 1.851 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccccc1 ZINC000431774363 319946521 /nfs/dbraw/zinc/94/65/21/319946521.db2.gz FAXVIDXRDFIQOB-KRWDZBQOSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000433170496 319973864 /nfs/dbraw/zinc/97/38/64/319973864.db2.gz XCGNMDYXPMYECG-XEZPLFJOSA-N 2 0 325.403 1.757 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)cc2)CC1 ZINC000449747382 320204692 /nfs/dbraw/zinc/20/46/92/320204692.db2.gz JARXTFWTRIAPAP-MJGOQNOKSA-N 2 0 342.487 1.651 20 0 EDADRP C[NH+](C)[C@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000453641405 320266072 /nfs/dbraw/zinc/26/60/72/320266072.db2.gz VDOXDUNBGBNWKX-RDJZCZTQSA-N 2 0 344.459 1.337 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@H](C)[N@H+]1C ZINC000457469333 320326992 /nfs/dbraw/zinc/32/69/92/320326992.db2.gz CPBVRTHJMPVKKG-JZXOWHBKSA-N 2 0 332.492 1.893 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458121816 320336357 /nfs/dbraw/zinc/33/63/57/320336357.db2.gz BQDCJSYQQJXGEK-QGZVFWFLSA-N 2 0 340.512 1.254 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000488157979 320357653 /nfs/dbraw/zinc/35/76/53/320357653.db2.gz FXEBUPUGQXVELS-DAYGRLMNSA-N 2 0 334.508 1.985 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000280224394 443677502 /nfs/dbraw/zinc/67/75/02/443677502.db2.gz JVUBUQABHWQQQV-UHFFFAOYSA-N 2 0 346.475 1.688 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000517930080 320453135 /nfs/dbraw/zinc/45/31/35/320453135.db2.gz RKMDXQGHMCYKGZ-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@H]1CCCCC[NH2+]1 ZINC000519592180 320467965 /nfs/dbraw/zinc/46/79/65/320467965.db2.gz JUMLCHVKTNDSFC-LSDHHAIUSA-N 2 0 336.505 1.922 20 0 EDADRP CC[C@H]1CO[C@@H](C)C[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000298268909 443734838 /nfs/dbraw/zinc/73/48/38/443734838.db2.gz GDYRWTLCXDFBQM-IRXDYDNUSA-N 2 0 346.475 1.620 20 0 EDADRP CN(CCC[N@H+](C)[C@@H]1CCc2ccccc2NC1=O)CC[NH+](C)C ZINC000298531390 443792738 /nfs/dbraw/zinc/79/27/38/443792738.db2.gz MEFTYGVEEVKAAM-GOSISDBHSA-N 2 0 332.492 1.755 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000529327636 320574183 /nfs/dbraw/zinc/57/41/83/320574183.db2.gz XYPLWYKXMQOTPB-QGZVFWFLSA-N 2 0 343.475 1.882 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc(Cl)cc1-n1cncn1)N1CC[NH+](C)CC1 ZINC000280948632 443781196 /nfs/dbraw/zinc/78/11/96/443781196.db2.gz RLLZXKNQBATALI-CQSZACIVSA-N 2 0 348.882 1.646 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H](O)Cc2ccccc2)CC1 ZINC000292953685 443888144 /nfs/dbraw/zinc/88/81/44/443888144.db2.gz ASOLERNXHKZVCF-FQEVSTJZSA-N 2 0 333.520 1.938 20 0 EDADRP CS[C@@H]1CN(c2cc(NC[C@H](C)O)ncn2)C[C@@H]1[NH+]1CCCC1 ZINC000298881872 443891567 /nfs/dbraw/zinc/89/15/67/443891567.db2.gz KZXFCRYSQVTLBU-MELADBBJSA-N 2 0 337.493 1.285 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000293013046 443902450 /nfs/dbraw/zinc/90/24/50/443902450.db2.gz HQCUYAJHZYONBD-HNAYVOBHSA-N 2 0 338.467 1.754 20 0 EDADRP C[C@@H](OCC1CC1)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000623110548 450409019 /nfs/dbraw/zinc/40/90/19/450409019.db2.gz PXQVXYONFPJTIS-MRXNPFEDSA-N 2 0 346.475 1.525 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@H](O)CC1 ZINC000293245234 443961108 /nfs/dbraw/zinc/96/11/08/443961108.db2.gz SZEJQAZCINXMQY-NEWSRXKRSA-N 2 0 345.487 1.612 20 0 EDADRP c1ccc2c(c1)CC[N@@H+](CCNc1cc(N3CCOCC3)ncn1)C2 ZINC000277319585 443963653 /nfs/dbraw/zinc/96/36/53/443963653.db2.gz DHZMWHKIQBYCGH-UHFFFAOYSA-N 2 0 339.443 1.783 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000288741221 443969337 /nfs/dbraw/zinc/96/93/37/443969337.db2.gz BMJBXYAVYJWHCR-SZMVWBNQSA-N 2 0 347.507 1.223 20 0 EDADRP CCOCC[C@@H](O)C[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000277525580 444000378 /nfs/dbraw/zinc/00/03/78/444000378.db2.gz OHWUAIVOYOAXQB-HXUWFJFHSA-N 2 0 349.519 1.524 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000299347994 444024130 /nfs/dbraw/zinc/02/41/30/444024130.db2.gz HEIPDMSPAMDIBO-HNNXBMFYSA-N 2 0 336.480 1.766 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000562813099 321078012 /nfs/dbraw/zinc/07/80/12/321078012.db2.gz KVRIPOIPUJFINJ-MRXNPFEDSA-N 3 0 327.517 1.029 20 0 EDADRP C[NH+](C)CCCCC(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000564274610 321124963 /nfs/dbraw/zinc/12/49/63/321124963.db2.gz PNIHSSUZVOQRDX-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP C[N@H+](C[C@@H](O)CNCc1cccc(NC(=O)[C@@H]2CCCO2)c1)C1CC1 ZINC000564444330 321131956 /nfs/dbraw/zinc/13/19/56/321131956.db2.gz NTKIYYJCFFOLIB-ROUUACIJSA-N 2 0 347.459 1.349 20 0 EDADRP O=C(CN[C@H](c1cccnc1)c1ccc(F)cc1F)N1CC[NH2+]CC1 ZINC000564822190 321149903 /nfs/dbraw/zinc/14/99/03/321149903.db2.gz HLUHGDBQQCHIEQ-GOSISDBHSA-N 2 0 346.381 1.471 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@H](N)c2c(F)cccc2F)CC1 ZINC000564911370 321156246 /nfs/dbraw/zinc/15/62/46/321156246.db2.gz WYGFBOPWOVQQOG-MRXNPFEDSA-N 2 0 340.418 1.108 20 0 EDADRP Cc1nc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[nH]c1C ZINC000565237182 321178100 /nfs/dbraw/zinc/17/81/00/321178100.db2.gz GBUNWIXKBMKSDO-UHFFFAOYSA-N 2 0 328.464 1.723 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000567585582 321247191 /nfs/dbraw/zinc/24/71/91/321247191.db2.gz KIEBXUZCIYQMOT-ZWKOTPCHSA-N 2 0 345.491 1.898 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccc(C(C)=O)cc2)C1 ZINC000569228402 321322029 /nfs/dbraw/zinc/32/20/29/321322029.db2.gz DELUKSBNFOZBRR-SJLPKXTDSA-N 2 0 334.460 1.950 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)c1ccc(S(C)(=O)=O)c(F)c1 ZINC000570896391 321362102 /nfs/dbraw/zinc/36/21/02/321362102.db2.gz HPRVMXOMFGWEBS-GFCCVEGCSA-N 2 0 332.441 1.458 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N(C)CCC[NH3+])c1ccccc1 ZINC000570941946 321365703 /nfs/dbraw/zinc/36/57/03/321365703.db2.gz DWFMWVJXQQKOSN-CQSZACIVSA-N 2 0 334.464 1.039 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c(C)s1 ZINC000571514330 321389589 /nfs/dbraw/zinc/38/95/89/321389589.db2.gz RHTAZJCKNPUASE-FZMZJTMJSA-N 2 0 345.534 1.621 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@H](C)O1 ZINC000571551837 321391609 /nfs/dbraw/zinc/39/16/09/321391609.db2.gz VWMOPKNXVBSRLJ-IXDOHACOSA-N 2 0 346.475 1.486 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)[C@H]2CCc3cncn3C2)cc1F ZINC000571566732 321392810 /nfs/dbraw/zinc/39/28/10/321392810.db2.gz WCBKDPXGOBVGQS-HNNXBMFYSA-N 2 0 330.407 1.963 20 0 EDADRP COc1cccc(C[C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)n1 ZINC000571743473 321399387 /nfs/dbraw/zinc/39/93/87/321399387.db2.gz USSZFALFCXZYQD-NRXGSXMXSA-N 2 0 346.475 1.258 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)CC1 ZINC000573330329 321449204 /nfs/dbraw/zinc/44/92/04/321449204.db2.gz PHOXRYSHYMKRQM-GOSISDBHSA-N 2 0 348.491 1.877 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H](O)COc1ccc(F)cc1)CC[NH+](C)C ZINC000289380198 444124486 /nfs/dbraw/zinc/12/44/86/444124486.db2.gz JDPVATHWDALVIL-QGZVFWFLSA-N 2 0 341.471 1.381 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCC(C)(C)c3ccccc32)CC1 ZINC000576272497 321552269 /nfs/dbraw/zinc/55/22/69/321552269.db2.gz ZWTBMLLNKOHOIJ-LPHOPBHVSA-N 2 0 331.504 1.997 20 0 EDADRP CN(C)c1ncccc1O[C@H]1CC[N@H+](C[C@](C)(O)C(F)(F)F)C1 ZINC000296021686 444199915 /nfs/dbraw/zinc/19/99/15/444199915.db2.gz RGVRIGGTPYLTCH-FZMZJTMJSA-N 2 0 333.354 1.914 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@H]2CCc3ccccc32)CC1 ZINC000304762893 444253086 /nfs/dbraw/zinc/25/30/86/444253086.db2.gz WDSXMNNMYJIZDQ-IBGZPJMESA-N 2 0 345.487 1.569 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)cc1 ZINC000576936710 321608462 /nfs/dbraw/zinc/60/84/62/321608462.db2.gz IRPWLLJBJXCVGE-OAUYIBNBSA-N 2 0 342.447 1.076 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000290731941 444316726 /nfs/dbraw/zinc/31/67/26/444316726.db2.gz WRFANWNABSGXBY-IBGZPJMESA-N 2 0 346.519 1.651 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCc3ccccc3C2)CC1 ZINC000325210775 444362794 /nfs/dbraw/zinc/36/27/94/444362794.db2.gz ITHSOXRCDMPDKZ-UHFFFAOYSA-N 2 0 331.460 1.401 20 0 EDADRP Cc1cc2ncc([C@H](C)NC[C@H]3C[N@@H+]4CCC[C@H]4CO3)c(C)n2n1 ZINC000325810967 444369715 /nfs/dbraw/zinc/36/97/15/444369715.db2.gz KEBHZKAGUSYRAY-BPUTZDHNSA-N 2 0 329.448 1.860 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000325933503 444371323 /nfs/dbraw/zinc/37/13/23/444371323.db2.gz YLEFIZCOJVXFNU-FRQCXROJSA-N 2 0 337.508 1.900 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCC(=O)N(C)[C@H]2c2ccnn2C)CC1 ZINC000329020738 444447971 /nfs/dbraw/zinc/44/79/71/444447971.db2.gz LXHIERWJLUNPNN-CRAIPNDOSA-N 2 0 333.480 1.544 20 0 EDADRP C[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000580049376 322001630 /nfs/dbraw/zinc/00/16/30/322001630.db2.gz MURWYYONKRKYNG-XVSDVWIESA-N 2 0 333.451 1.993 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2CC[NH2+][C@@H]2C)[NH+]2CCCC2)cc1 ZINC000580426002 322049137 /nfs/dbraw/zinc/04/91/37/322049137.db2.gz XJANWAOIGLXELC-JLSDUUJJSA-N 2 0 331.460 1.946 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[NH2+]C1 ZINC000580434698 322050780 /nfs/dbraw/zinc/05/07/80/322050780.db2.gz SCFSLCPYULDUQI-LJQANCHMSA-N 2 0 347.459 1.208 20 0 EDADRP COc1ccc2ccccc2c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@@H]2C1 ZINC000580570563 322069603 /nfs/dbraw/zinc/06/96/03/322069603.db2.gz CHPTYOZNKIFTKH-RHSMWYFYSA-N 2 0 325.412 1.592 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000580783462 322095696 /nfs/dbraw/zinc/09/56/96/322095696.db2.gz RHDJZQRLOLQJJU-OAHLLOKOSA-N 2 0 325.497 1.270 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000580941587 322114495 /nfs/dbraw/zinc/11/44/95/322114495.db2.gz VGKIPMFDRYXGIU-LJQANCHMSA-N 2 0 346.475 1.522 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000581235755 322151851 /nfs/dbraw/zinc/15/18/51/322151851.db2.gz IDLWEGHSQLUMKC-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]1OCC[C@]1(C)[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000581377323 322170651 /nfs/dbraw/zinc/17/06/51/322170651.db2.gz KKLJCHYOYMXNPU-QAPCUYQASA-N 2 0 332.448 1.277 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000581424803 322175928 /nfs/dbraw/zinc/17/59/28/322175928.db2.gz IZZYAJQEPXJOSU-OTWHNJEPSA-N 3 0 341.540 1.702 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000581715422 322212378 /nfs/dbraw/zinc/21/23/78/322212378.db2.gz FDPBYVDNPIQOMY-SJLPKXTDSA-N 2 0 346.475 1.835 20 0 EDADRP C[NH+]1CCC(C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC000342131713 444524995 /nfs/dbraw/zinc/52/49/95/444524995.db2.gz PTBRIZRNSAPKGW-UHFFFAOYSA-N 2 0 331.460 1.924 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)c1ccccc1 ZINC000343767301 444576427 /nfs/dbraw/zinc/57/64/27/444576427.db2.gz HCPLTDWLSKGJHW-NPYXIHBLSA-N 2 0 329.444 1.220 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000343856805 444630342 /nfs/dbraw/zinc/63/03/42/444630342.db2.gz ZDYYTTSBHFJWDW-GDBMZVCRSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCO[C@H]2CCCCO2)CC1 ZINC000338275282 444604628 /nfs/dbraw/zinc/60/46/28/444604628.db2.gz PGCPCXWGVQXXJH-WMZOPIPTSA-N 2 0 328.497 1.944 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCCn2cc(C)nc21)C(C)C ZINC000342280629 444610970 /nfs/dbraw/zinc/61/09/70/444610970.db2.gz NTLCZHQGBQOACF-HNNXBMFYSA-N 2 0 349.479 1.032 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000342349523 444647542 /nfs/dbraw/zinc/64/75/42/444647542.db2.gz RNYKBGAVUZWDLZ-UWWQBHOKSA-N 2 0 334.508 1.842 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000342470253 444704642 /nfs/dbraw/zinc/70/46/42/444704642.db2.gz VSFHLYULAMMYSA-PBHICJAKSA-N 2 0 343.475 1.046 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000333901172 444713221 /nfs/dbraw/zinc/71/32/21/444713221.db2.gz ZVHHIIFTQPUTQN-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C1CCCCC1 ZINC000333901713 444713980 /nfs/dbraw/zinc/71/39/80/444713980.db2.gz ZYEDZAZGRDFYHZ-IKGGRYGDSA-N 2 0 338.496 1.432 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@@H+]1CCOC ZINC000341203568 444726669 /nfs/dbraw/zinc/72/66/69/444726669.db2.gz OLOQLOTUGHFHBB-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000333702863 444691445 /nfs/dbraw/zinc/69/14/45/444691445.db2.gz RBRWYHYDTJXLQG-YESZJQIVSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000341241577 444745276 /nfs/dbraw/zinc/74/52/76/444745276.db2.gz XXDOSEGEBPDUNA-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000342783658 444865814 /nfs/dbraw/zinc/86/58/14/444865814.db2.gz OZUCVBVXNBPNHY-UHFFFAOYSA-N 2 0 325.497 1.866 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NCCNc2cc[nH+]cc2)cc1F ZINC000342957805 444967235 /nfs/dbraw/zinc/96/72/35/444967235.db2.gz USWWGYGZINSUII-UHFFFAOYSA-N 2 0 345.422 1.616 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCN3CCOC[C@H]3C)CC2)CC1 ZINC000337191048 444979629 /nfs/dbraw/zinc/97/96/29/444979629.db2.gz SZGBATGWUWLJGG-GOSISDBHSA-N 2 0 338.540 1.198 20 0 EDADRP CO[C@@H](C)CN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000344522766 445031608 /nfs/dbraw/zinc/03/16/08/445031608.db2.gz HZJVEVVLGSCPDG-INIZCTEOSA-N 2 0 349.479 1.270 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)[C@H]2CCSC2)C1 ZINC000344453839 444983634 /nfs/dbraw/zinc/98/36/34/444983634.db2.gz MIROUWAUGKDIHV-CVEARBPZSA-N 2 0 327.538 1.908 20 0 EDADRP CCC[C@H](C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1)[NH+](C)C ZINC000344489300 445005884 /nfs/dbraw/zinc/00/58/84/445005884.db2.gz IXHLSUIKJRMLOZ-HZPDHXFCSA-N 2 0 333.480 1.891 20 0 EDADRP O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343060564 445034827 /nfs/dbraw/zinc/03/48/27/445034827.db2.gz YSLHWINNMBZECG-RBUKOAKNSA-N 2 0 342.487 1.330 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)NCC[N@H+](CC)C(C)C)CC1 ZINC000343021471 445010397 /nfs/dbraw/zinc/01/03/97/445010397.db2.gz BDTIUPXBIYITFJ-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000344599269 445080712 /nfs/dbraw/zinc/08/07/12/445080712.db2.gz VKKCQGFSWXAIDD-QXSJWSMHSA-N 2 0 341.521 1.134 20 0 EDADRP CC[N@H+](CCOCCO)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000337463027 445092267 /nfs/dbraw/zinc/09/22/67/445092267.db2.gz KYNLZOJMABNHAJ-UHFFFAOYSA-N 2 0 335.492 1.659 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(CC(=O)NC3CC[NH+](C4CC4)CC3)C2)C1 ZINC000339435153 445140300 /nfs/dbraw/zinc/14/03/00/445140300.db2.gz XMRUKMGEDDIZAR-LJQANCHMSA-N 2 0 334.508 1.147 20 0 EDADRP CN(CCOc1ccccc1F)C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342095733 445169565 /nfs/dbraw/zinc/16/95/65/445169565.db2.gz YZPHDTNDPSQDHP-YQQAZPJKSA-N 2 0 349.450 1.722 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651421 445187914 /nfs/dbraw/zinc/18/79/14/445187914.db2.gz KIWXGJPTGMWICF-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cnn(C)c1 ZINC000337573754 445144940 /nfs/dbraw/zinc/14/49/40/445144940.db2.gz FWXBJULDPYIPOT-KRWDZBQOSA-N 2 0 335.496 1.227 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000339608208 445153331 /nfs/dbraw/zinc/15/33/31/445153331.db2.gz OLIXSZCRCSFVTN-UHFFFAOYSA-N 2 0 340.512 1.215 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2nc(C3CC3)cc(N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000342066240 445153662 /nfs/dbraw/zinc/15/36/62/445153662.db2.gz STNYNIZZULKTOW-JKSUJKDBSA-N 2 0 344.507 1.635 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@@H]21 ZINC000342079113 445160698 /nfs/dbraw/zinc/16/06/98/445160698.db2.gz DUORMEWDDIXSDV-YESZJQIVSA-N 2 0 344.459 1.462 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CC2CC[NH2+]CC2)C1 ZINC000346972448 445228953 /nfs/dbraw/zinc/22/89/53/445228953.db2.gz HJNFWYNLISLZPV-MRXNPFEDSA-N 2 0 329.510 1.312 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000343490556 445233054 /nfs/dbraw/zinc/23/30/54/445233054.db2.gz AQHYFJVVJVZJGK-NVXWUHKLSA-N 2 0 333.480 1.194 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)[C@@H](C)C1 ZINC000347194514 445233780 /nfs/dbraw/zinc/23/37/80/445233780.db2.gz GYYBRPIFNMBSQO-LSDHHAIUSA-N 2 0 336.480 1.561 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343529569 445239333 /nfs/dbraw/zinc/23/93/33/445239333.db2.gz UCKYFLOFBAXLLS-SJLPKXTDSA-N 2 0 330.476 1.013 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347506853 445240032 /nfs/dbraw/zinc/24/00/32/445240032.db2.gz SLHSKSWUVQPIRS-IBGZPJMESA-N 2 0 342.487 1.532 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347524244 445241340 /nfs/dbraw/zinc/24/13/40/445241340.db2.gz QCFKZXHPUNCZBU-OAHLLOKOSA-N 2 0 330.476 1.293 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000343583329 445251523 /nfs/dbraw/zinc/25/15/23/445251523.db2.gz YSWKERCPWCKEOD-KRWDZBQOSA-N 2 0 345.491 1.438 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354575826 445300851 /nfs/dbraw/zinc/30/08/51/445300851.db2.gz VCUGBYDCSABPEA-UHFFFAOYSA-N 2 0 331.439 1.739 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@@H+]2C[C@H](O)[C@@H](C)C2)CC1 ZINC000351820139 445333227 /nfs/dbraw/zinc/33/32/27/445333227.db2.gz COTUSXGPUHUADG-HKUYNNGSSA-N 2 0 345.487 1.342 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000348707098 445350292 /nfs/dbraw/zinc/35/02/92/445350292.db2.gz WNNXLTPUZQOTML-BBWFWOEESA-N 2 0 325.497 1.674 20 0 EDADRP CC[C@H]1C[C@@H](C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)CCO1 ZINC000356971683 445354276 /nfs/dbraw/zinc/35/42/76/445354276.db2.gz ALQJFXMSKPMJPL-IRXDYDNUSA-N 2 0 325.497 1.678 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000348822322 445402123 /nfs/dbraw/zinc/40/21/23/445402123.db2.gz ZGWSZFWBJJRMPK-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000357079199 445413176 /nfs/dbraw/zinc/41/31/76/445413176.db2.gz DAZMPMSELKQEGG-MSOLQXFVSA-N 2 0 343.471 1.428 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000357082155 445414845 /nfs/dbraw/zinc/41/48/45/445414845.db2.gz HETZZMDZDGHUCI-LBPRGKRZSA-N 2 0 326.828 1.361 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)CCOC2C[NH2+]C2)c2ccccc2)CC1 ZINC000349007848 445474092 /nfs/dbraw/zinc/47/40/92/445474092.db2.gz VGCFSGITWWORGY-LJQANCHMSA-N 2 0 345.487 1.954 20 0 EDADRP CCOC(=O)[C@H](CC(C)C)N1CCN(c2ccnc(N(C)C)n2)CC1 ZINC000360019617 445531115 /nfs/dbraw/zinc/53/11/15/445531115.db2.gz ZSJRBGXGUZLGMN-HNNXBMFYSA-N 2 0 349.479 1.642 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000362663029 445485060 /nfs/dbraw/zinc/48/50/60/445485060.db2.gz KMSHCMQBCZWBER-JSGCOSHPSA-N 2 0 346.431 1.292 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)C[C@H]1C ZINC000359919553 445489216 /nfs/dbraw/zinc/48/92/16/445489216.db2.gz VEHQUXKYWXRCGW-XHSDSOJGSA-N 2 0 328.501 1.203 20 0 EDADRP C[NH+](C)CC[C@@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352122137 445506157 /nfs/dbraw/zinc/50/61/57/445506157.db2.gz SXNNCBUTTLNILM-IEBWSBKVSA-N 2 0 333.476 1.470 20 0 EDADRP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1-n1cncn1 ZINC000349319492 445562479 /nfs/dbraw/zinc/56/24/79/445562479.db2.gz SYVHNUWQEVXJOQ-UHFFFAOYSA-N 2 0 342.491 1.645 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC000357876891 445589407 /nfs/dbraw/zinc/58/94/07/445589407.db2.gz YXDOVWQATARMFO-LSDHHAIUSA-N 2 0 342.553 1.986 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000353034898 445572750 /nfs/dbraw/zinc/57/27/50/445572750.db2.gz VTYZFMBJMZBXNW-MRXNPFEDSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000360125032 445580341 /nfs/dbraw/zinc/58/03/41/445580341.db2.gz NFEFZGNRROJPRQ-HZPDHXFCSA-N 2 0 342.528 1.449 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1nc2ccccc2o1 ZINC000349227779 445540914 /nfs/dbraw/zinc/54/09/14/445540914.db2.gz VGJKWDUXJGECQL-INIZCTEOSA-N 2 0 346.475 1.869 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H]([NH+](C)CCO)[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000356070330 445601443 /nfs/dbraw/zinc/60/14/43/445601443.db2.gz RPZACNGAZHELBE-QXAKKESOSA-N 2 0 347.503 1.811 20 0 EDADRP C[C@H](C(=O)N1CC[C@H]([NH+](C)CCO)[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000356071790 445602372 /nfs/dbraw/zinc/60/23/72/445602372.db2.gz UOYNPIDXHDYHKA-FCEWJHQRSA-N 2 0 345.487 1.347 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CN1CC[NH+](CC)CC1)c1ccccc1 ZINC000360165465 445606040 /nfs/dbraw/zinc/60/60/40/445606040.db2.gz YGKZPLMROVRRAS-IBGZPJMESA-N 2 0 346.519 1.823 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000349571251 445615056 /nfs/dbraw/zinc/61/50/56/445615056.db2.gz DZLTVRNNFDJKLA-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000349608775 445622112 /nfs/dbraw/zinc/62/21/12/445622112.db2.gz GUKWSINVWKFXTC-HYVNUMGLSA-N 2 0 340.512 1.394 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC[C@@H]1Cc2ccccc2O1 ZINC000358515563 445627906 /nfs/dbraw/zinc/62/79/06/445627906.db2.gz ZENLXZZBHQKBRN-INIZCTEOSA-N 2 0 329.444 1.182 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cc(O)cc(F)c1)C(=O)NCC[NH+](C)C ZINC000349656334 445636076 /nfs/dbraw/zinc/63/60/76/445636076.db2.gz PDZSBLKGHUJNGS-INIZCTEOSA-N 2 0 325.428 1.713 20 0 EDADRP C[C@@H]1[C@@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356050881 445591013 /nfs/dbraw/zinc/59/10/13/445591013.db2.gz SUGHBCALOFIHNI-APWZRJJASA-N 2 0 345.487 1.810 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@H]2C)CC1 ZINC000363001416 445645647 /nfs/dbraw/zinc/64/56/47/445645647.db2.gz NFKSLUIWWOHEEW-AEFFLSMTSA-N 2 0 339.524 1.781 20 0 EDADRP CCC[N@H+](C)CC(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000358588193 445662834 /nfs/dbraw/zinc/66/28/34/445662834.db2.gz JWAYZZPYYGXVPO-UHFFFAOYSA-N 2 0 346.475 1.032 20 0 EDADRP Cc1cccc(NC2CCN(CC(=O)NCC(F)(F)F)CC2)n1 ZINC000363061974 445664583 /nfs/dbraw/zinc/66/45/83/445664583.db2.gz CMEANVVKBJGLTH-UHFFFAOYSA-N 2 0 330.354 1.945 20 0 EDADRP CC[NH+](CC)CC(=O)N(C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000363110724 445681518 /nfs/dbraw/zinc/68/15/18/445681518.db2.gz LNDQOEWHOYTHIY-UHFFFAOYSA-N 2 0 332.492 1.889 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCCC1 ZINC000358658577 445699042 /nfs/dbraw/zinc/69/90/42/445699042.db2.gz FFNRSMAUYHCNRH-SJLPKXTDSA-N 2 0 340.512 1.253 20 0 EDADRP Cc1ccccc1N1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000358668869 445704632 /nfs/dbraw/zinc/70/46/32/445704632.db2.gz UAQPJSKKTOCYIJ-UHFFFAOYSA-N 2 0 344.503 1.847 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000353688941 445707852 /nfs/dbraw/zinc/70/78/52/445707852.db2.gz BGDKBQBGVHYIHN-WBVHZDCISA-N 2 0 331.460 1.767 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](C)[NH+](C)[C@H](C)C3)cc2)CC1 ZINC000358680465 445712881 /nfs/dbraw/zinc/71/28/81/445712881.db2.gz OBHCFGYGQMCRPX-IAGOWNOFSA-N 2 0 344.503 1.993 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000349888498 445713430 /nfs/dbraw/zinc/71/34/30/445713430.db2.gz INXODHCKCZZOLA-FHWLQOOXSA-N 2 0 341.540 1.653 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000349888379 445713504 /nfs/dbraw/zinc/71/35/04/445713504.db2.gz ILGOEDNAORBWNX-GOSISDBHSA-N 2 0 328.497 1.597 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000363073964 445668801 /nfs/dbraw/zinc/66/88/01/445668801.db2.gz GGTDQJDPSVBAFK-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353588911 445669135 /nfs/dbraw/zinc/66/91/35/445669135.db2.gz OEPWJOMGRIRACT-KSZLIROESA-N 2 0 345.487 1.816 20 0 EDADRP CC[N@H+](CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)C(C)C ZINC000356302813 445725739 /nfs/dbraw/zinc/72/57/39/445725739.db2.gz RKOLJEMGXKRWSO-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(N3CCN(C)CC3)nc2)C[C@@H]1C ZINC000353743310 445735677 /nfs/dbraw/zinc/73/56/77/445735677.db2.gz CJRPGYNNRWBCMQ-WMZOPIPTSA-N 3 0 346.523 1.533 20 0 EDADRP Cc1ncsc1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000356348188 445745838 /nfs/dbraw/zinc/74/58/38/445745838.db2.gz PUDLUYXVNGVKBP-UHFFFAOYSA-N 2 0 341.525 1.867 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCN1CC[NH+](C)CC1 ZINC000361267928 445757126 /nfs/dbraw/zinc/75/71/26/445757126.db2.gz CKTLYPFQUHORTE-GUDVDZBRSA-N 3 0 338.540 1.103 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363304154 445758975 /nfs/dbraw/zinc/75/89/75/445758975.db2.gz ZQIACIXJHWINDO-KRWDZBQOSA-N 2 0 336.524 1.347 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000363312413 445761630 /nfs/dbraw/zinc/76/16/30/445761630.db2.gz KVJBYPVVLIXZCC-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP COc1cccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)c1 ZINC000361494800 445787437 /nfs/dbraw/zinc/78/74/37/445787437.db2.gz AAKIYBYJCOZFCO-QGZVFWFLSA-N 2 0 335.492 1.736 20 0 EDADRP CC[C@H]1CCCCN1C(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363417553 445795502 /nfs/dbraw/zinc/79/55/02/445795502.db2.gz JVKDZHLIWOYZFU-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC[C@@H](CC(=O)OC)[C@H]2C)CC1 ZINC000353911850 445810457 /nfs/dbraw/zinc/81/04/57/445810457.db2.gz GSSGXWWJRIOAAC-WCXIOVBPSA-N 2 0 325.497 1.580 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358858374 445814872 /nfs/dbraw/zinc/81/48/72/445814872.db2.gz RANQCLKLGNOYCY-GOSISDBHSA-N 2 0 349.450 1.439 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000353985608 445840476 /nfs/dbraw/zinc/84/04/76/445840476.db2.gz DGKPNVQZVWKJEX-GLHLROKDSA-N 2 0 336.524 1.388 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000350619198 445856888 /nfs/dbraw/zinc/85/68/88/445856888.db2.gz PJFGLAJFNXVJNQ-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP COCC[C@]1(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC[NH2+]C1 ZINC000361711978 445892973 /nfs/dbraw/zinc/89/29/73/445892973.db2.gz XMHDDBDNYMCOEV-JQHSSLGASA-N 2 0 325.497 1.629 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361743079 445909696 /nfs/dbraw/zinc/90/96/96/445909696.db2.gz BWMBIMHSHCFGRI-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@H](C)C(=O)N(CC)CC)CC2)CC1 ZINC000369157918 445959502 /nfs/dbraw/zinc/95/95/02/445959502.db2.gz VITYIQUSYVXRDV-QGZVFWFLSA-N 2 0 338.540 1.735 20 0 EDADRP NC(=O)c1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000350901529 445947381 /nfs/dbraw/zinc/94/73/81/445947381.db2.gz UAGUZFSKLLHNEN-UHFFFAOYSA-N 2 0 340.431 1.200 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)CC1 ZINC000361793031 445951015 /nfs/dbraw/zinc/95/10/15/445951015.db2.gz TYLGHYYIPJWFJX-IJEWVQPXSA-N 2 0 331.526 1.507 20 0 EDADRP CCNc1nc(NC(C)(C)C)nc(N2CC[C@@]3(CC[N@H+](C)C3)C2)n1 ZINC000366110061 446018923 /nfs/dbraw/zinc/01/89/23/446018923.db2.gz HIPIXXLAVPETRN-QGZVFWFLSA-N 2 0 333.484 1.468 20 0 EDADRP O[C@H]1CCC[C@H]1[NH+]1CCC(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603399 326101617 /nfs/dbraw/zinc/10/16/17/326101617.db2.gz BEPSYQHNJPGEQT-OLZOCXBDSA-N 2 0 332.370 1.896 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc3cnn(C)c3c2)C[C@H](C)O1 ZINC000583626885 326106027 /nfs/dbraw/zinc/10/60/27/326106027.db2.gz QKRQWPKOGYTBQD-JKIFEVAISA-N 2 0 332.448 1.133 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000583682519 326117452 /nfs/dbraw/zinc/11/74/52/326117452.db2.gz ZFTNECUENGUHCO-MSOLQXFVSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000583802066 326142155 /nfs/dbraw/zinc/14/21/55/326142155.db2.gz QLIHRZOMVHAKNK-XWTMOSNGSA-N 2 0 330.476 1.914 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000583867365 326155404 /nfs/dbraw/zinc/15/54/04/326155404.db2.gz DGQMWMFXZVKHGT-KRWDZBQOSA-N 2 0 335.492 1.350 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000584122193 326204671 /nfs/dbraw/zinc/20/46/71/326204671.db2.gz KAFRGYSQDDVLOH-MRXNPFEDSA-N 2 0 343.537 1.241 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NC[C@H]2CN(C3CC3)CCO2)CC1 ZINC000366179078 446065364 /nfs/dbraw/zinc/06/53/64/446065364.db2.gz PGZQQWLINRBMLT-INIZCTEOSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCOC1 ZINC000356845950 446067230 /nfs/dbraw/zinc/06/72/30/446067230.db2.gz ISIHNFNJZLGRFX-ZWKOTPCHSA-N 2 0 347.507 1.784 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H](CC(=O)OC)[C@@H]2C)CC1 ZINC000354354899 446137986 /nfs/dbraw/zinc/13/79/86/446137986.db2.gz ZDZGZOBMVVLLGR-XMTFNYHQSA-N 2 0 339.524 1.827 20 0 EDADRP O=C1C[C@H](N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)C(=O)N1CC(F)(F)F ZINC000373207273 446096530 /nfs/dbraw/zinc/09/65/30/446096530.db2.gz WGIWTAFPPJLQFX-RVMXOQNASA-N 2 0 345.365 1.092 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000366244142 446103067 /nfs/dbraw/zinc/10/30/67/446103067.db2.gz GGGJUMWFWBMOQJ-GOSISDBHSA-N 2 0 328.460 1.504 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000354315627 446107367 /nfs/dbraw/zinc/10/73/67/446107367.db2.gz DYHCHONQDHSRFG-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000351520642 446123491 /nfs/dbraw/zinc/12/34/91/446123491.db2.gz HSGSMYJQDLTUJW-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@H](CNC(=O)c1cc(CN(C)C)on1)[N@H+](C)Cc1ccccc1 ZINC000359365119 446176130 /nfs/dbraw/zinc/17/61/30/446176130.db2.gz VBKHQDZBGPRTCW-CQSZACIVSA-N 2 0 330.432 1.987 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)NC2CC([NH+]3CCCCC3)C2)ccn1 ZINC000365433384 446205147 /nfs/dbraw/zinc/20/51/47/446205147.db2.gz WRJLPARYPXARFL-UHFFFAOYSA-N 2 0 346.475 1.769 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)[C@@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000365489956 446229776 /nfs/dbraw/zinc/22/97/76/446229776.db2.gz GRTCUHNMVNSLEK-LPHOPBHVSA-N 2 0 330.476 1.145 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000365526664 446241903 /nfs/dbraw/zinc/24/19/03/446241903.db2.gz VGCKPZSGKIZIRL-QZTJIDSGSA-N 2 0 331.460 1.419 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365564099 446256303 /nfs/dbraw/zinc/25/63/03/446256303.db2.gz DUPXOGHKCWAOMJ-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC(=O)NC1CCCCC1 ZINC000362272483 446297324 /nfs/dbraw/zinc/29/73/24/446297324.db2.gz GAQGBPVFSUYHBS-BPQIPLTHSA-N 2 0 337.508 1.914 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000362238514 446280274 /nfs/dbraw/zinc/28/02/74/446280274.db2.gz QUTHGTIROIDOES-YZGWKJHDSA-N 2 0 329.488 1.745 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000417339425 446347626 /nfs/dbraw/zinc/34/76/26/446347626.db2.gz ZXDCIWGORIQAIR-IRXDYDNUSA-N 2 0 347.507 1.981 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCNC(=O)c1ccco1 ZINC000370577467 446339046 /nfs/dbraw/zinc/33/90/46/446339046.db2.gz HCYPFTKCVSZDPF-OAGGEKHMSA-N 2 0 335.448 1.488 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417369885 446349674 /nfs/dbraw/zinc/34/96/74/446349674.db2.gz SUYOJPNHVKTAHB-HNNXBMFYSA-N 2 0 334.464 1.378 20 0 EDADRP Cn1cc(N2CC[C@H]([N@@H+]3CCCC4(CC[NH+](C)CC4)C3)C2=O)cn1 ZINC000366888314 446398941 /nfs/dbraw/zinc/39/89/41/446398941.db2.gz UTHNZALSIXRNLW-INIZCTEOSA-N 2 0 331.464 1.333 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417437507 446352233 /nfs/dbraw/zinc/35/22/33/446352233.db2.gz HHEHBIVJLQHOFV-GDBMZVCRSA-N 2 0 326.485 1.304 20 0 EDADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000376145355 446354315 /nfs/dbraw/zinc/35/43/15/446354315.db2.gz AMEGQNMSGYPJGX-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589100 446365099 /nfs/dbraw/zinc/36/50/99/446365099.db2.gz VGJPVXPYRRDEOP-HNNXBMFYSA-N 2 0 340.512 1.694 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)N(CC[NH3+])CCO)C[N@@H+]1Cc1ccccc1 ZINC000417929592 446388997 /nfs/dbraw/zinc/38/89/97/446388997.db2.gz SVKGIIJOFJTYBC-AEFFLSMTSA-N 2 0 348.491 1.250 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000417362884 446348928 /nfs/dbraw/zinc/34/89/28/446348928.db2.gz LJTYQBCJRQRRTD-GOEBONIOSA-N 2 0 334.464 1.554 20 0 EDADRP COCC1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CC[NH2+]CC1 ZINC000418086687 446437491 /nfs/dbraw/zinc/43/74/91/446437491.db2.gz DHFUMAXLVNIQFK-UHFFFAOYSA-N 2 0 338.496 1.176 20 0 EDADRP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+]2CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423144946 446440730 /nfs/dbraw/zinc/44/07/30/446440730.db2.gz ILDFVAZVFWKGKP-IHPCNDPISA-N 2 0 347.503 1.925 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccco1 ZINC000418171719 446445647 /nfs/dbraw/zinc/44/56/47/446445647.db2.gz VJFNMUXMHRJMGJ-KBPBESRZSA-N 2 0 336.436 1.093 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418179408 446448260 /nfs/dbraw/zinc/44/82/60/446448260.db2.gz ZQXIQFVZVKYJNI-CQSZACIVSA-N 2 0 334.464 1.554 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420282683 446450325 /nfs/dbraw/zinc/45/03/25/446450325.db2.gz BAEUMHJHUBFLKO-ZWKOTPCHSA-N 3 0 334.508 1.711 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNc1ccnc(N2CCOCC2)n1 ZINC000420284629 446450982 /nfs/dbraw/zinc/45/09/82/446450982.db2.gz URNZQCLQHCFLCM-MRXNPFEDSA-N 2 0 327.432 1.988 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCNC[C@](C)(F)C1 ZINC000417989963 446409473 /nfs/dbraw/zinc/40/94/73/446409473.db2.gz UEKGRWZLUXMDCY-YJBOKZPZSA-N 2 0 336.455 1.850 20 0 EDADRP CCOC(=O)c1cnc2cc3c(cc2c1N1C[C@H]([NH3+])[C@@H](C)C1)OCO3 ZINC000420285449 446451500 /nfs/dbraw/zinc/45/15/00/446451500.db2.gz VPNOAEGJIQFNFA-GWCFXTLKSA-N 2 0 343.383 1.924 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418017700 446417117 /nfs/dbraw/zinc/41/71/17/446417117.db2.gz SWSLQXGMGCKQRV-LMSBXDPUSA-N 2 0 330.476 1.886 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418020158 446417378 /nfs/dbraw/zinc/41/73/78/446417378.db2.gz ZICJNJJMYKWWJI-BPQIPLTHSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017817 446417765 /nfs/dbraw/zinc/41/77/65/446417765.db2.gz UDTSIONBESNKNB-HPBDAGMYSA-N 2 0 328.460 1.510 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000418025621 446419560 /nfs/dbraw/zinc/41/95/60/446419560.db2.gz VGPNTZUGXRGAJL-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1C ZINC000420291758 446456119 /nfs/dbraw/zinc/45/61/19/446456119.db2.gz KSALHAYFOJHECT-HOTGVXAUSA-N 2 0 346.475 1.417 20 0 EDADRP C[C@H]1CN(CC(=O)NCCc2cccc3cccnc32)CC[C@H]1[NH3+] ZINC000420292683 446456412 /nfs/dbraw/zinc/45/64/12/446456412.db2.gz PVLIXLAGNPVBSO-WMLDXEAASA-N 2 0 326.444 1.563 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([N@H+](C)CC[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000420299870 446461215 /nfs/dbraw/zinc/46/12/15/446461215.db2.gz JPUAOQCVLYPXLJ-KSSFIOAISA-N 2 0 347.459 1.741 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420309154 446471362 /nfs/dbraw/zinc/47/13/62/446471362.db2.gz DMSJPWACWPRXJX-YIONKMFJSA-N 2 0 345.443 1.651 20 0 EDADRP CC[C@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000420309750 446473097 /nfs/dbraw/zinc/47/30/97/446473097.db2.gz FEYFFRHEMWDEJT-ROUUACIJSA-N 2 0 335.492 1.780 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000423301916 446479615 /nfs/dbraw/zinc/47/96/15/446479615.db2.gz IRANSAMEEZRLIP-KFWWJZLASA-N 2 0 349.479 1.106 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418282974 446482804 /nfs/dbraw/zinc/48/28/04/446482804.db2.gz ZGUVKHIZVXNCEJ-QGZVFWFLSA-N 2 0 333.480 1.687 20 0 EDADRP CCOC(=O)[C@H]1CCCCN1C(=O)CN(C)[C@H]1CCC[NH2+]CC1 ZINC000420317502 446483569 /nfs/dbraw/zinc/48/35/69/446483569.db2.gz UQNUEJJWAPZDPM-LSDHHAIUSA-N 2 0 325.453 1.005 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)c2cccc(C[NH+](C)C)c2)CCCO1 ZINC000432546975 446484547 /nfs/dbraw/zinc/48/45/47/446484547.db2.gz QMTLDJULEXYPDD-MRXNPFEDSA-N 2 0 333.476 1.979 20 0 EDADRP C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000423318621 446486890 /nfs/dbraw/zinc/48/68/90/446486890.db2.gz CRDALENAVAJSHU-ILXRZTDVSA-N 2 0 333.480 1.869 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423363740 446501148 /nfs/dbraw/zinc/50/11/48/446501148.db2.gz VDBOIJKZUIMIHX-OAHLLOKOSA-N 2 0 336.484 1.401 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423367601 446503105 /nfs/dbraw/zinc/50/31/05/446503105.db2.gz DJBSRKAXHSPLGF-CABCVRRESA-N 2 0 333.480 1.491 20 0 EDADRP C[C@H]1CN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CC[NH2+]1 ZINC000420335353 446504774 /nfs/dbraw/zinc/50/47/74/446504774.db2.gz IVLDXIPZUKGECX-HNNXBMFYSA-N 2 0 348.516 1.468 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)CC[NH2+]C1 ZINC000423368591 446504977 /nfs/dbraw/zinc/50/49/77/446504977.db2.gz BFAIMCHAGBEYPX-BEFAXECRSA-N 2 0 333.476 1.858 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)CC2)c1 ZINC000423368507 446505416 /nfs/dbraw/zinc/50/54/16/446505416.db2.gz BAIRSCKCLYUVGA-MRXNPFEDSA-N 2 0 332.448 1.517 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418341240 446507736 /nfs/dbraw/zinc/50/77/36/446507736.db2.gz OVEDQEZYHPDMHN-DLBZAZTESA-N 3 0 339.528 1.044 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)C1CCCCC1 ZINC000418343122 446508396 /nfs/dbraw/zinc/50/83/96/446508396.db2.gz AMFFWACIHXYKPL-JKSUJKDBSA-N 2 0 326.485 1.040 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[C@H](C)CC[NH2+]3)CCCC2)CC1 ZINC000423391229 446513985 /nfs/dbraw/zinc/51/39/85/446513985.db2.gz NJEDLOKRHFEJMS-WBVHZDCISA-N 2 0 337.508 1.914 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000423392018 446514926 /nfs/dbraw/zinc/51/49/26/446514926.db2.gz XGSMGQNCPFVSNG-PMPSAXMXSA-N 2 0 340.512 1.007 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]([NH3+])C3CCC3)ccc2oc1=O ZINC000423394312 446515018 /nfs/dbraw/zinc/51/50/18/446515018.db2.gz RDAAZEMCYZGHKJ-OAHLLOKOSA-N 2 0 332.404 1.222 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000418323148 446497941 /nfs/dbraw/zinc/49/79/41/446497941.db2.gz DPVFSBOOORBSDA-SFHVURJKSA-N 2 0 345.491 1.831 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418324412 446499142 /nfs/dbraw/zinc/49/91/42/446499142.db2.gz GYHDMIMGTJHEPO-WMZOPIPTSA-N 2 0 345.491 1.830 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000411479910 446562009 /nfs/dbraw/zinc/56/20/09/446562009.db2.gz NHEIDUWHOJEPQN-QGZVFWFLSA-N 2 0 325.497 1.770 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420388117 446562684 /nfs/dbraw/zinc/56/26/84/446562684.db2.gz WQQHGGPTYZGFBG-USXIJHARSA-N 2 0 325.497 1.900 20 0 EDADRP CCC[NH2+]CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000418491052 446563242 /nfs/dbraw/zinc/56/32/42/446563242.db2.gz QTTPYIHMXVUFAQ-XYPWUTKMSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492175 446563523 /nfs/dbraw/zinc/56/35/23/446563523.db2.gz PECUETOKIGNVPL-RDJZCZTQSA-N 2 0 333.480 1.672 20 0 EDADRP C[NH2+]CCCN(C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420389700 446565082 /nfs/dbraw/zinc/56/50/82/446565082.db2.gz OYMBFFIREKSGEF-UHFFFAOYSA-N 2 0 332.492 1.440 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418496749 446566099 /nfs/dbraw/zinc/56/60/99/446566099.db2.gz GBLAARUFBLFLGP-FHWLQOOXSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418369354 446518530 /nfs/dbraw/zinc/51/85/30/446518530.db2.gz UCPUJOQFJHNBDG-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+][C@@H]1C[C@H](NC[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402739 446519826 /nfs/dbraw/zinc/51/98/26/446519826.db2.gz XBQUNEUXHZGHOW-ILXRZTDVSA-N 2 0 328.382 1.557 20 0 EDADRP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348269 446522678 /nfs/dbraw/zinc/52/26/78/446522678.db2.gz KLQKGRGYOBQLKE-HNNXBMFYSA-N 2 0 334.439 1.442 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)C(C)(C)C ZINC000423418760 446527173 /nfs/dbraw/zinc/52/71/73/446527173.db2.gz ICPPMFFXFRYGIS-JKSUJKDBSA-N 2 0 335.496 1.904 20 0 EDADRP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350115 446527550 /nfs/dbraw/zinc/52/75/50/446527550.db2.gz RJLDOHQYKVINSV-LPHOPBHVSA-N 2 0 344.503 1.406 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418419045 446539125 /nfs/dbraw/zinc/53/91/25/446539125.db2.gz ZAGCSHSCCXKZPP-DLBZAZTESA-N 3 0 341.544 1.417 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000423446860 446541342 /nfs/dbraw/zinc/54/13/42/446541342.db2.gz ZGDYAPLPQINLRS-BLLLJJGKSA-N 2 0 325.478 1.819 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000367411140 446542970 /nfs/dbraw/zinc/54/29/70/446542970.db2.gz WSAVWQGVXXRMTM-MRXNPFEDSA-N 2 0 330.476 1.997 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000418447643 446545097 /nfs/dbraw/zinc/54/50/97/446545097.db2.gz ISHWIQMPLJJUBO-ABHNRTSZSA-N 2 0 345.491 1.202 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000418450608 446547878 /nfs/dbraw/zinc/54/78/78/446547878.db2.gz DWFURWAGGYJHCJ-NVXWUHKLSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453241997 446550642 /nfs/dbraw/zinc/55/06/42/446550642.db2.gz DZNJDKOFYMUWAU-MBNYWOFBSA-N 2 0 342.281 1.929 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418464171 446554098 /nfs/dbraw/zinc/55/40/98/446554098.db2.gz AORLXVMFCLJVSO-ROUUACIJSA-N 2 0 348.491 1.168 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+](C)C ZINC000453598202 446568753 /nfs/dbraw/zinc/56/87/53/446568753.db2.gz ODJBTUNTWKDEAP-WBMJQRKESA-N 2 0 332.448 1.240 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418536658 446584669 /nfs/dbraw/zinc/58/46/69/446584669.db2.gz HBUHLOPJHJJOJC-KDURUIRLSA-N 2 0 340.471 1.680 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)CCC[NH3+])cc1 ZINC000418552093 446590521 /nfs/dbraw/zinc/59/05/21/446590521.db2.gz LZVCSVUHTNTQOE-SJORKVTESA-N 2 0 348.491 1.957 20 0 EDADRP C[C@@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000420418599 446592672 /nfs/dbraw/zinc/59/26/72/446592672.db2.gz XAKAHGMINGVPAM-BPQIPLTHSA-N 2 0 332.492 1.322 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)C[C@@H]1CC ZINC000418591895 446607332 /nfs/dbraw/zinc/60/73/32/446607332.db2.gz KUYGEKHVGRYJEH-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP [NH3+]CCCn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)nn1 ZINC000423618862 446609197 /nfs/dbraw/zinc/60/91/97/446609197.db2.gz ZDNSRNHLKMAZQQ-OAHLLOKOSA-N 2 0 348.838 1.067 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H](CCC[NH3+])c2ccccc2)CCO1 ZINC000418654034 446635679 /nfs/dbraw/zinc/63/56/79/446635679.db2.gz BJVTXJURTNFNCL-SJORKVTESA-N 2 0 334.464 1.439 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000423695296 446644676 /nfs/dbraw/zinc/64/46/76/446644676.db2.gz BQAPJYFNVXFBNC-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418677419 446645585 /nfs/dbraw/zinc/64/55/85/446645585.db2.gz UMZACSLLUGYPLW-KLAILNCOSA-N 2 0 337.512 1.034 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423721230 446659330 /nfs/dbraw/zinc/65/93/30/446659330.db2.gz FHCZGFZCJZPTGF-QGZVFWFLSA-N 2 0 347.459 1.108 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])cn2)CC1 ZINC000423734577 446667691 /nfs/dbraw/zinc/66/76/91/446667691.db2.gz RAWCZJBPDZIDGU-MAUKXSAKSA-N 2 0 331.464 1.680 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000418751788 446671157 /nfs/dbraw/zinc/67/11/57/446671157.db2.gz RQNOIEVXHIAJEL-UONOGXRCSA-N 2 0 344.381 1.725 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@H]1CC12C[NH2+]C2 ZINC000376657151 446632861 /nfs/dbraw/zinc/63/28/61/446632861.db2.gz NCKJJCFWYNNURC-JSGCOSHPSA-N 2 0 329.400 1.143 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418833961 446738848 /nfs/dbraw/zinc/73/88/48/446738848.db2.gz LLLYBCHUAXPTGU-UHFFFAOYSA-N 2 0 338.496 1.143 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280646 446739067 /nfs/dbraw/zinc/73/90/67/446739067.db2.gz RJVLTRXWCWQAJW-AEFFLSMTSA-N 2 0 330.476 1.361 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418795680 446707999 /nfs/dbraw/zinc/70/79/99/446707999.db2.gz SIDZRRIJOKODIQ-LMMKCTJWSA-N 2 0 346.475 1.050 20 0 EDADRP CC[C@@H]1CN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000423827829 446717268 /nfs/dbraw/zinc/71/72/68/446717268.db2.gz QJXLDXDMQBMORW-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)C3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000423828610 446718555 /nfs/dbraw/zinc/71/85/55/446718555.db2.gz OHKHVXSHEDXRCK-SJORKVTESA-N 2 0 329.444 1.971 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000423752267 446682338 /nfs/dbraw/zinc/68/23/38/446682338.db2.gz VWZTYSIHBGGJFQ-CRUJUIQGSA-N 2 0 337.508 1.756 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)C1(C)C ZINC000423903622 446753695 /nfs/dbraw/zinc/75/36/95/446753695.db2.gz NFKTVBRMDYCTPD-ASKNOMKYSA-N 2 0 349.519 1.994 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC(C)(C)C[C@H]2C)C1 ZINC000412019895 446787327 /nfs/dbraw/zinc/78/73/27/446787327.db2.gz GRNIBTWAGXYLFD-HZPDHXFCSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)COC[C@@H](O)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000368329043 446790003 /nfs/dbraw/zinc/79/00/03/446790003.db2.gz BSYCBAPFAWHOJG-SFHVURJKSA-N 2 0 341.540 1.369 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCCC[C@H]1C ZINC000438695793 446796969 /nfs/dbraw/zinc/79/69/69/446796969.db2.gz LUGVEPRIBLRNKE-CABCVRRESA-N 2 0 336.484 1.829 20 0 EDADRP CC[C@@H](C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000420783625 446818378 /nfs/dbraw/zinc/81/83/78/446818378.db2.gz WGZDYQNDKOYTOP-MRXNPFEDSA-N 2 0 333.480 1.939 20 0 EDADRP C[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1C[NH3+] ZINC000424011431 446822431 /nfs/dbraw/zinc/82/24/31/446822431.db2.gz YWUZRFVAWOQFRG-VQIMIIECSA-N 2 0 344.503 1.491 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)CC[NH2+]C1 ZINC000424036220 446829479 /nfs/dbraw/zinc/82/94/79/446829479.db2.gz RMBASKMYMWCOSJ-RYRKJORJSA-N 2 0 335.423 1.095 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424140042 446859514 /nfs/dbraw/zinc/85/95/14/446859514.db2.gz AWVURSUHGMVUBU-RBSFLKMASA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000419006069 446860969 /nfs/dbraw/zinc/86/09/69/446860969.db2.gz SKIWZUXYKYOKHG-INIZCTEOSA-N 2 0 340.512 1.056 20 0 EDADRP CC(=O)N1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000368440306 446864874 /nfs/dbraw/zinc/86/48/74/446864874.db2.gz BWKMUOOUUCJVJO-JCHJZTRSSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](F)C1 ZINC000454438344 446875322 /nfs/dbraw/zinc/87/53/22/446875322.db2.gz XTLBQRFGOKYSLG-OAHLLOKOSA-N 2 0 335.427 1.347 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1)[NH+](C)C ZINC000424458887 446876198 /nfs/dbraw/zinc/87/61/98/446876198.db2.gz VAZNAFXAUJDZJH-QGZVFWFLSA-N 2 0 348.491 1.875 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCC[C@H]2[NH3+])[C@H](C)C1 ZINC000424459839 446878569 /nfs/dbraw/zinc/87/85/69/446878569.db2.gz HPGPKMQPGCORJX-WCXIOVBPSA-N 2 0 340.512 1.693 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000424462014 446878690 /nfs/dbraw/zinc/87/86/90/446878690.db2.gz LXMIUTKTCYTXGD-KZNAEPCWSA-N 2 0 346.475 1.322 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000424483761 446881204 /nfs/dbraw/zinc/88/12/04/446881204.db2.gz ZFFKOKHQVPUJHJ-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP O[C@H]1C[C@@H](C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000420962628 446933685 /nfs/dbraw/zinc/93/36/85/446933685.db2.gz KSAHQLOGAZHYLV-AQNXPRMDSA-N 2 0 329.488 1.649 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1)CC(C)C ZINC000419121401 446936464 /nfs/dbraw/zinc/93/64/64/446936464.db2.gz DOLOGGKBLDHRBV-HOTGVXAUSA-N 2 0 340.512 1.117 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([C@@H](C)[NH3+])C1)CC(C)C ZINC000419123164 446936933 /nfs/dbraw/zinc/93/69/33/446936933.db2.gz GLJNOYVKSNEFPN-PMPSAXMXSA-N 2 0 340.512 1.055 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)CC(C)C ZINC000419127856 446938931 /nfs/dbraw/zinc/93/89/31/446938931.db2.gz SVQTXWMBGYWTKM-OAGGEKHMSA-N 2 0 340.512 1.103 20 0 EDADRP CN(CC(=O)Nc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375746121 447018583 /nfs/dbraw/zinc/01/85/83/447018583.db2.gz WYPRUVRWYNYGAQ-XYPWUTKMSA-N 2 0 345.443 1.953 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OCC(N)=O ZINC000368615254 446981910 /nfs/dbraw/zinc/98/19/10/446981910.db2.gz POCQTFIFMLFDHG-XHSDSOJGSA-N 2 0 347.459 1.522 20 0 EDADRP C[C@H](C(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372099441 447000541 /nfs/dbraw/zinc/00/05/41/447000541.db2.gz UVYDISXFPHYMQE-UHOSZYNNSA-N 2 0 344.503 1.561 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000419243487 447027603 /nfs/dbraw/zinc/02/76/03/447027603.db2.gz UHGDWYOATIOYBO-HOCLYGCPSA-N 2 0 338.496 1.001 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[N@H+](CC)C1)CC(C)C ZINC000421232052 447075527 /nfs/dbraw/zinc/07/55/27/447075527.db2.gz KXBAOEIAIXVKEO-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[C@]23CC[NH2+]C3)cc1 ZINC000444167815 447084709 /nfs/dbraw/zinc/08/47/09/447084709.db2.gz NUGCWUPVQNSKLL-MJGOQNOKSA-N 2 0 331.460 1.285 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444170030 447085839 /nfs/dbraw/zinc/08/58/39/447085839.db2.gz SVAOEKSGDXTYGJ-PKOBYXMFSA-N 2 0 331.435 1.906 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccsc1 ZINC000419378522 447138574 /nfs/dbraw/zinc/13/85/74/447138574.db2.gz VSSVEZZNOHPMBH-JSGCOSHPSA-N 2 0 340.493 1.101 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568289 447147587 /nfs/dbraw/zinc/14/75/87/447147587.db2.gz GPJRUDVVYMJPJJ-GPMSIDNRSA-N 2 0 329.444 1.803 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425439027 447163356 /nfs/dbraw/zinc/16/33/56/447163356.db2.gz BSMOBVBYVCLCKD-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)COc3ccccc3)C2)CC1 ZINC000375892492 447127242 /nfs/dbraw/zinc/12/72/42/447127242.db2.gz VHWKIKUYRCFGNP-RTBURBONSA-N 2 0 347.503 1.527 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[NH+](C)C ZINC000455432902 447128782 /nfs/dbraw/zinc/12/87/82/447128782.db2.gz NXLBOPXMLCYTBB-HNNXBMFYSA-N 2 0 342.553 1.987 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CS1 ZINC000413712929 447227109 /nfs/dbraw/zinc/22/71/09/447227109.db2.gz JELNNCZIRHIFBI-GJZGRUSLSA-N 2 0 330.542 1.795 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000369046799 447286612 /nfs/dbraw/zinc/28/66/12/447286612.db2.gz ITDBDANJKBFKQZ-BFYDXBDKSA-N 2 0 338.496 1.269 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000419584472 447280489 /nfs/dbraw/zinc/28/04/89/447280489.db2.gz KVCIZWJSMHKVCT-PBHICJAKSA-N 2 0 346.475 1.313 20 0 EDADRP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000494660129 447454208 /nfs/dbraw/zinc/45/42/08/447454208.db2.gz URLQOVQVEOTJRY-KGLIPLIRSA-N 2 0 329.485 1.725 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000458841741 447488092 /nfs/dbraw/zinc/48/80/92/447488092.db2.gz LAZYFWNWEFSZRR-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP COC1(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]CC1 ZINC000389885369 447488769 /nfs/dbraw/zinc/48/87/69/447488769.db2.gz RAPXKNDMJDPCBP-WBVHZDCISA-N 2 0 331.460 1.392 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415512378 447489476 /nfs/dbraw/zinc/48/94/76/447489476.db2.gz TXUSHWJWSHQICW-OAHLLOKOSA-N 2 0 346.475 1.365 20 0 EDADRP COCCOC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000450494692 447506441 /nfs/dbraw/zinc/50/64/41/447506441.db2.gz OBTXQWWWXVBRFD-PKOBYXMFSA-N 2 0 342.524 1.987 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)NC[C@@H]([NH3+])C3CC3)ccc21 ZINC000415543646 447508285 /nfs/dbraw/zinc/50/82/85/447508285.db2.gz XTZJTVHCXZULDJ-CVEARBPZSA-N 2 0 330.432 1.028 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495748053 447578112 /nfs/dbraw/zinc/57/81/12/447578112.db2.gz RTNXBDVVQVSEOC-GJZGRUSLSA-N 2 0 340.512 1.467 20 0 EDADRP CC(C)[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000393083966 447529435 /nfs/dbraw/zinc/52/94/35/447529435.db2.gz IIIZBCHHSYRCIX-RTBURBONSA-N 2 0 346.519 1.855 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000420001467 447538834 /nfs/dbraw/zinc/53/88/34/447538834.db2.gz RNOGRKVQKSWXAZ-IBGZPJMESA-N 2 0 333.476 1.715 20 0 EDADRP Cc1nccc(NCc2cccc(C(=O)NC(C)(C)C[NH+](C)C)c2)n1 ZINC000457205951 447540709 /nfs/dbraw/zinc/54/07/09/447540709.db2.gz AJCHXCJSWFSOMU-UHFFFAOYSA-N 2 0 341.459 2.467 20 0 EDADRP C[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000427269606 447572340 /nfs/dbraw/zinc/57/23/40/447572340.db2.gz LQHJBKFDDQIOQD-CABCVRRESA-N 2 0 348.466 1.754 20 0 EDADRP O=C1O[C@@]2(CN1CN1CC[C@@H]([NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000495860175 447608910 /nfs/dbraw/zinc/60/89/10/447608910.db2.gz XGAIHJANMLMJQI-SJLPKXTDSA-N 2 0 334.464 1.031 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CC[NH+](C[C@H](C)O)CC2)CC1 ZINC000428394531 447696081 /nfs/dbraw/zinc/69/60/81/447696081.db2.gz BJKMKUQDFLZDIB-SFHVURJKSA-N 2 0 346.519 1.327 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[C@@H](CC[NH3+])C2)C1 ZINC000416870602 447700093 /nfs/dbraw/zinc/70/00/93/447700093.db2.gz OGXFAYBFXPSUNR-HOTGVXAUSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@H]([NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O)[C@@H]1CCCC[NH2+]1 ZINC000422833576 447763254 /nfs/dbraw/zinc/76/32/54/447763254.db2.gz WFJXGBJMXYSZQM-GJZGRUSLSA-N 2 0 336.480 1.751 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc(OC)c1 ZINC000422833492 447763675 /nfs/dbraw/zinc/76/36/75/447763675.db2.gz YUVCHJITMZHVTC-SIXWZSSISA-N 2 0 336.476 1.833 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC(C)(C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416947580 447722123 /nfs/dbraw/zinc/72/21/23/447722123.db2.gz GZDAGSHVNLNWJD-MRXNPFEDSA-N 2 0 342.528 1.940 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)[C@H]1CC[NH2+]C1 ZINC000422711372 447724292 /nfs/dbraw/zinc/72/42/92/447724292.db2.gz FVRICZJPZSBERY-WMZOPIPTSA-N 2 0 333.476 1.485 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H](C)O1 ZINC000416955506 447726629 /nfs/dbraw/zinc/72/66/29/447726629.db2.gz VQYZSCAUZSCVDL-XUWVNRHRSA-N 2 0 326.485 1.302 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)CC[NH2+]CC1 ZINC000422718503 447727731 /nfs/dbraw/zinc/72/77/31/447727731.db2.gz PVIPKIXDRLCPES-CVEARBPZSA-N 2 0 327.513 1.874 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H](C)[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416997524 447729918 /nfs/dbraw/zinc/72/99/18/447729918.db2.gz AJOOUTRGDYBEJJ-RYQLBKOJSA-N 2 0 332.492 1.928 20 0 EDADRP CC(C)(CNC(=O)N1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417088374 447733597 /nfs/dbraw/zinc/73/35/97/447733597.db2.gz KHFGOTREZSSYKK-HNNXBMFYSA-N 2 0 330.476 1.814 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccs1)N1CCOCC1 ZINC000422741236 447735259 /nfs/dbraw/zinc/73/52/59/447735259.db2.gz CYBANDKJFLYUGV-HUUCEWRRSA-N 2 0 327.494 1.465 20 0 EDADRP COC[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000452087896 447814518 /nfs/dbraw/zinc/81/45/18/447814518.db2.gz PRNFFVBKIWEBEF-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843040 447766582 /nfs/dbraw/zinc/76/65/82/447766582.db2.gz GUHQENSVZDSCSA-DLBZAZTESA-N 2 0 345.491 1.227 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422860203 447769286 /nfs/dbraw/zinc/76/92/86/447769286.db2.gz MAUOMMOJEUJRFQ-IMFGXOCKSA-N 3 0 344.503 1.468 20 0 EDADRP CCS(=O)(=O)N(C)CCC[NH2+][C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422862303 447770789 /nfs/dbraw/zinc/77/07/89/447770789.db2.gz PUCPJJRFHGZQRK-GDBMZVCRSA-N 2 0 327.494 1.206 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913833 447771596 /nfs/dbraw/zinc/77/15/96/447771596.db2.gz QWAYGSAZERUFLE-CVEARBPZSA-N 3 0 332.492 1.728 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944154 447777696 /nfs/dbraw/zinc/77/76/96/447777696.db2.gz ZGXIVTOZUHNFIN-GXTWGEPZSA-N 2 0 346.880 1.470 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)CC[NH2+]CC1 ZINC000422960039 447781371 /nfs/dbraw/zinc/78/13/71/447781371.db2.gz ALGJAGWSXUARJM-ARFHVFGLSA-N 2 0 326.481 1.959 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cccnn2)C1 ZINC000422986773 447788206 /nfs/dbraw/zinc/78/82/06/447788206.db2.gz HHTNZONYMBDFQW-RYQLBKOJSA-N 2 0 325.460 1.994 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000423032142 447794552 /nfs/dbraw/zinc/79/45/52/447794552.db2.gz VTZJETFVMPVJCM-ROUUACIJSA-N 2 0 332.492 1.007 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CS(=O)(=O)c1ccc(C)cc1 ZINC000423051831 447798775 /nfs/dbraw/zinc/79/87/75/447798775.db2.gz OGSYKAVBSMOMPZ-CABCVRRESA-N 2 0 328.478 1.501 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000423077147 447799595 /nfs/dbraw/zinc/79/95/95/447799595.db2.gz SQHNXXUMRACNQK-MAUKXSAKSA-N 2 0 325.460 1.994 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C)n(C)c2=O)CC[NH2+]CC1 ZINC000423091208 447803720 /nfs/dbraw/zinc/80/37/20/447803720.db2.gz WYYXPCWTZHEHQH-CQSZACIVSA-N 2 0 335.448 1.105 20 0 EDADRP C[C@@H](CNC(=O)NCCOCC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000471633272 447805219 /nfs/dbraw/zinc/80/52/19/447805219.db2.gz APVWBVNNCIRPAG-INIZCTEOSA-N 2 0 348.491 1.311 20 0 EDADRP C[C@@H]([NH2+]CCOc1ccc(I)cc1)C1C[NH2+]C1 ZINC000423104496 447806174 /nfs/dbraw/zinc/80/61/74/447806174.db2.gz BOVRQNORZWRXEW-SNVBAGLBSA-N 2 0 346.212 1.868 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471649855 447807363 /nfs/dbraw/zinc/80/73/63/447807363.db2.gz QXLHCPWVBVJMPR-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000471652421 447807612 /nfs/dbraw/zinc/80/76/12/447807612.db2.gz JHKYHECXFOGCIC-MRXNPFEDSA-N 2 0 340.443 1.306 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C ZINC000487946699 447838662 /nfs/dbraw/zinc/83/86/62/447838662.db2.gz BWIOHRQECCAWPM-WBTNSWJXSA-N 2 0 333.480 1.117 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000575743009 447887747 /nfs/dbraw/zinc/88/77/47/447887747.db2.gz PTOXBWLYZWSMTK-KBXCAEBGSA-N 2 0 339.430 1.540 20 0 EDADRP O=C(CN1CCCC[C@H]1[C@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000575991961 447946307 /nfs/dbraw/zinc/94/63/07/447946307.db2.gz JXMIDGMLIZCGDG-MSOLQXFVSA-N 2 0 334.508 1.336 20 0 EDADRP CN(C[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C(=O)OC(C)(C)C ZINC000497201268 447952077 /nfs/dbraw/zinc/95/20/77/447952077.db2.gz GOSMKWOLVQIADD-JYJNAYRXSA-N 2 0 341.496 1.630 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000552034777 447929816 /nfs/dbraw/zinc/92/98/16/447929816.db2.gz XLMBTFFKMBCWRH-ULQDDVLXSA-N 2 0 337.489 1.427 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)C1 ZINC000553223257 447978660 /nfs/dbraw/zinc/97/86/60/447978660.db2.gz YHBDYIYCRQHWJH-SFHVURJKSA-N 2 0 345.487 1.601 20 0 EDADRP C[N@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1CCCCC1 ZINC000497250214 448005341 /nfs/dbraw/zinc/00/53/41/448005341.db2.gz BUKMCYXZDAUGDV-UHFFFAOYSA-N 2 0 341.500 1.890 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000531058652 448010632 /nfs/dbraw/zinc/01/06/32/448010632.db2.gz STJCXFUFVGFZMZ-AYBZRNKSSA-N 2 0 331.460 1.222 20 0 EDADRP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000530819343 447965821 /nfs/dbraw/zinc/96/58/21/447965821.db2.gz SYZWNLUAVIZPKI-QUCCMNQESA-N 2 0 343.471 1.319 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000570634974 448039694 /nfs/dbraw/zinc/03/96/94/448039694.db2.gz QOFXRPKROXWOGD-QLFBSQMISA-N 2 0 334.468 1.023 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000502757301 448105420 /nfs/dbraw/zinc/10/54/20/448105420.db2.gz ZVIJPBQNVBTCDA-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000571153669 448111342 /nfs/dbraw/zinc/11/13/42/448111342.db2.gz OHVWNVXADGSNKU-PKOBYXMFSA-N 2 0 335.492 1.356 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)nc2)CC1 ZINC000531913241 448171355 /nfs/dbraw/zinc/17/13/55/448171355.db2.gz MLFGWMUXOYDOQR-CQSZACIVSA-N 2 0 331.464 1.502 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000571547372 448171469 /nfs/dbraw/zinc/17/14/69/448171469.db2.gz JILXWZUBQUVVMF-OAHLLOKOSA-N 2 0 334.468 1.708 20 0 EDADRP CC[C@@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1ccccc1C ZINC000576980238 448185112 /nfs/dbraw/zinc/18/51/12/448185112.db2.gz MREJPXOYNUQVNP-ROUUACIJSA-N 2 0 335.492 1.350 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000577195798 448233705 /nfs/dbraw/zinc/23/37/05/448233705.db2.gz IORGMTORRBNPJH-HNNXBMFYSA-N 2 0 348.495 2.098 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2cccnn21 ZINC000582424818 448236264 /nfs/dbraw/zinc/23/62/64/448236264.db2.gz ZLJCROZEPIVHRI-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000577120860 448214468 /nfs/dbraw/zinc/21/44/68/448214468.db2.gz CGNSRJJEOREFSU-QGZVFWFLSA-N 2 0 345.491 1.052 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCCS3(=O)=O)c(F)c2)C1 ZINC000582497675 448254935 /nfs/dbraw/zinc/25/49/35/448254935.db2.gz XXFZOUGBCDENKJ-KBPBESRZSA-N 2 0 341.452 1.725 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000582715836 448318929 /nfs/dbraw/zinc/31/89/29/448318929.db2.gz MWOMCPRYFBLTJX-MRXNPFEDSA-N 2 0 339.528 1.234 20 0 EDADRP CCC1(CC)[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H]1OC ZINC000532594749 448278828 /nfs/dbraw/zinc/27/88/28/448278828.db2.gz WKTCRVLGNWRDKF-HOTGVXAUSA-N 2 0 342.528 1.715 20 0 EDADRP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C)C1CCOCC1 ZINC000572309866 448342626 /nfs/dbraw/zinc/34/26/26/448342626.db2.gz GTCINAPYUSDBLK-FBVQUNGASA-N 2 0 337.508 1.865 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000515809218 448352192 /nfs/dbraw/zinc/35/21/92/448352192.db2.gz PDOSFFKZQOAZNA-ZWKOTPCHSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CN(C)CCO2)C1 ZINC000591409572 448353917 /nfs/dbraw/zinc/35/39/17/448353917.db2.gz UCDMTKWMGFITPQ-BPQIPLTHSA-N 2 0 346.475 1.452 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC2)CC1 ZINC000572282434 448334517 /nfs/dbraw/zinc/33/45/17/448334517.db2.gz AMOVMVJZCBIZDU-CVEARBPZSA-N 2 0 339.528 1.312 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000516185702 448394437 /nfs/dbraw/zinc/39/44/37/448394437.db2.gz KECKAGHDHGKVJD-QGZVFWFLSA-N 2 0 333.476 1.534 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000566157014 448397566 /nfs/dbraw/zinc/39/75/66/448397566.db2.gz BNEFOUYBENYOIZ-CJNGLKHVSA-N 2 0 332.448 1.024 20 0 EDADRP [NH3+]CCCCC(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000572518297 448400193 /nfs/dbraw/zinc/40/01/93/448400193.db2.gz LBZHIDVWVWTHGA-UHFFFAOYSA-N 2 0 337.439 1.914 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C3([NH3+])CCC3)CC2)c1 ZINC000583022339 448405332 /nfs/dbraw/zinc/40/53/32/448405332.db2.gz KLDQVDDFXRNTSX-UHFFFAOYSA-N 2 0 344.503 1.895 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1ccccc1C[NH+]1CCC(O)CC1)C1CC1 ZINC000583079192 448418133 /nfs/dbraw/zinc/41/81/33/448418133.db2.gz LWBAOIUFQWBEFZ-HXUWFJFHSA-N 2 0 347.503 1.188 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963553 448428705 /nfs/dbraw/zinc/42/87/05/448428705.db2.gz DWPRPYMQEISLNY-STQMWFEESA-N 2 0 345.896 1.868 20 0 EDADRP CC(=O)Nc1ccc(Cl)c(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1 ZINC000578047268 448448463 /nfs/dbraw/zinc/44/84/63/448448463.db2.gz PACJMVYHHJBUKR-GFCCVEGCSA-N 2 0 339.827 1.405 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566400886 448459817 /nfs/dbraw/zinc/45/98/17/448459817.db2.gz IRVWQOJIGSEYJA-BRWVUGGUSA-N 2 0 338.496 1.128 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000516660861 448460612 /nfs/dbraw/zinc/46/06/12/448460612.db2.gz DOBIAZJRTNYUCS-UHFFFAOYSA-N 2 0 347.463 1.632 20 0 EDADRP COc1cc2c(cc1C[NH2+]C[C@@H](C)N1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000591714956 448467170 /nfs/dbraw/zinc/46/71/70/448467170.db2.gz SGTRMLPFWRQOGV-CABCVRRESA-N 2 0 333.476 1.744 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000591717073 448469624 /nfs/dbraw/zinc/46/96/24/448469624.db2.gz GGISOUUIDRJRQZ-UHFFFAOYSA-N 2 0 346.454 1.524 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566480863 448487877 /nfs/dbraw/zinc/48/78/77/448487877.db2.gz BHFYGUWMLHPUFC-IRXDYDNUSA-N 2 0 330.476 1.585 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000566482795 448489466 /nfs/dbraw/zinc/48/94/66/448489466.db2.gz QHKLNAOFWFWZFM-KURKYZTESA-N 2 0 331.460 1.316 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000566778048 448556063 /nfs/dbraw/zinc/55/60/63/448556063.db2.gz UXRLDFWKANLSQO-UHFFFAOYSA-N 2 0 346.475 1.523 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000584471148 448540414 /nfs/dbraw/zinc/54/04/14/448540414.db2.gz ZVZRTPIOQUMFSI-CXAGYDPISA-N 2 0 325.416 1.185 20 0 EDADRP COCCc1noc(CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000528629149 448609682 /nfs/dbraw/zinc/60/96/82/448609682.db2.gz XCPHRQMJFKARSQ-MRXNPFEDSA-N 2 0 336.480 1.997 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000566903738 448580990 /nfs/dbraw/zinc/58/09/90/448580990.db2.gz IQZPSVXMYVJKCJ-IAGOWNOFSA-N 2 0 346.475 1.378 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000538374148 448583898 /nfs/dbraw/zinc/58/38/98/448583898.db2.gz BYWUQFCCUIBGRL-UHFFFAOYSA-N 2 0 338.496 1.437 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N2CCC(CC[NH3+])CC2)CC1 ZINC000567240908 448647765 /nfs/dbraw/zinc/64/77/65/448647765.db2.gz FIMGSCHLQQQAIZ-INIZCTEOSA-N 2 0 339.528 1.030 20 0 EDADRP [NH3+]CCc1nc(C(=O)Nc2nc(C3CC[NH2+]CC3)cs2)cs1 ZINC000578869437 448657292 /nfs/dbraw/zinc/65/72/92/448657292.db2.gz OGVQERGIOICCFY-UHFFFAOYSA-N 2 0 337.474 1.820 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000567352235 448673977 /nfs/dbraw/zinc/67/39/77/448673977.db2.gz VXRFXADYISRXGG-UONOGXRCSA-N 2 0 346.475 1.504 20 0 EDADRP Cc1cc(NC(=O)[C@@H](C)N2CCN(C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000541672335 448685450 /nfs/dbraw/zinc/68/54/50/448685450.db2.gz JSPBSGFJNZZPKA-OAHLLOKOSA-N 2 0 348.495 1.033 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000545883141 448802995 /nfs/dbraw/zinc/80/29/95/448802995.db2.gz OXUJLUZNLNLVDH-FUHWJXTLSA-N 2 0 340.512 1.109 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000545883140 448803495 /nfs/dbraw/zinc/80/34/95/448803495.db2.gz OXUJLUZNLNLVDH-AEFFLSMTSA-N 2 0 340.512 1.109 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000545883376 448804005 /nfs/dbraw/zinc/80/40/05/448804005.db2.gz ARSBFWOQOVQVCB-MJGOQNOKSA-N 2 0 346.475 1.189 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccc(F)cc3)CCCC2)CC1 ZINC000519631650 448805687 /nfs/dbraw/zinc/80/56/87/448805687.db2.gz NYWCNIXSUNSAJC-IBGZPJMESA-N 2 0 349.494 1.835 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH2+]C12CCC2 ZINC000529291544 448810043 /nfs/dbraw/zinc/81/00/43/448810043.db2.gz IMUJOUUYOMHJJC-KRWDZBQOSA-N 2 0 328.460 1.629 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000529303198 448813588 /nfs/dbraw/zinc/81/35/88/448813588.db2.gz BMDOZIGPWDYDMV-ZWKOTPCHSA-N 2 0 332.492 1.799 20 0 EDADRP CCc1cc(N2CCC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])C2)ncn1 ZINC000574188781 448813614 /nfs/dbraw/zinc/81/36/14/448813614.db2.gz ZQXZNQFPEWDEIV-BSWAZPDLSA-N 2 0 333.480 1.350 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)cc1 ZINC000579375641 448781877 /nfs/dbraw/zinc/78/18/77/448781877.db2.gz OZIMVNAQMRHXNW-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)CC1(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CCC1 ZINC000545283884 448784262 /nfs/dbraw/zinc/78/42/62/448784262.db2.gz XIABPOKMRJSXOV-QGZVFWFLSA-N 2 0 330.476 1.894 20 0 EDADRP C[N@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1CCO)C1CCCCC1 ZINC000574130761 448796300 /nfs/dbraw/zinc/79/63/00/448796300.db2.gz QJWWRITWYODTCB-KRWDZBQOSA-N 2 0 325.497 1.604 20 0 EDADRP CC[NH+]1CCC(C[NH2+]CCS(=O)(=O)c2ccc(F)cc2)CC1 ZINC000579463503 448798954 /nfs/dbraw/zinc/79/89/54/448798954.db2.gz WLMRZMGPYGVNEQ-UHFFFAOYSA-N 2 0 328.453 1.921 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000574200655 448815768 /nfs/dbraw/zinc/81/57/68/448815768.db2.gz XFKIHHNJOMEDAK-WBVHZDCISA-N 2 0 333.480 1.612 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000529323059 448822947 /nfs/dbraw/zinc/82/29/47/448822947.db2.gz CBZHYXMMTBCOKF-WBVHZDCISA-N 2 0 346.475 1.457 20 0 EDADRP COc1c(F)cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c(OC)c1F ZINC000579688611 448852553 /nfs/dbraw/zinc/85/25/53/448852553.db2.gz VUSYWFOPDDYBPE-SECBINFHSA-N 2 0 344.362 1.089 20 0 EDADRP C[N@H+](C[C@@H](O)CN[C@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702446 448856871 /nfs/dbraw/zinc/85/68/71/448856871.db2.gz UYKUNTZVUSGKPP-HOCLYGCPSA-N 2 0 335.423 1.366 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1cnn3c1[C@@H](C[NH3+])CCC3)CC[NH2+]CC2 ZINC000592568914 448905239 /nfs/dbraw/zinc/90/52/39/448905239.db2.gz QKOHTTXSLSITQK-ZIAGYGMSSA-N 2 0 331.464 1.323 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)c21 ZINC000592540930 448889117 /nfs/dbraw/zinc/88/91/17/448889117.db2.gz WMUKUFHTHLAVSL-WCQYABFASA-N 2 0 340.431 1.183 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000521314952 448970469 /nfs/dbraw/zinc/97/04/69/448970469.db2.gz AFELPLRZLULOCI-FUHWJXTLSA-N 2 0 339.524 1.993 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)nc1 ZINC000521612207 449001501 /nfs/dbraw/zinc/00/15/01/449001501.db2.gz KVSNGLQBKVJNLQ-QGZVFWFLSA-N 2 0 347.507 1.580 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000521880798 449023907 /nfs/dbraw/zinc/02/39/07/449023907.db2.gz FXORUAQCCCIIPQ-MRXNPFEDSA-N 2 0 332.492 1.854 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000574916026 448990232 /nfs/dbraw/zinc/99/02/32/448990232.db2.gz UQJGJWYGMKCUPG-CGTJXYLNSA-N 2 0 330.476 1.927 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@@H](C)C1 ZINC000548419824 449038935 /nfs/dbraw/zinc/03/89/35/449038935.db2.gz VCXDKGSKMAPKCK-XLAORIBOSA-N 2 0 339.524 1.970 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C[C@@H]1C ZINC000592963745 449086493 /nfs/dbraw/zinc/08/64/93/449086493.db2.gz BPKHGYCWYYEPEJ-ZNMIVQPWSA-N 2 0 333.480 1.664 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C[C@H]1C ZINC000592963736 449086792 /nfs/dbraw/zinc/08/67/92/449086792.db2.gz BPKHGYCWYYEPEJ-ILXRZTDVSA-N 2 0 333.480 1.664 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900832 449241573 /nfs/dbraw/zinc/24/15/73/449241573.db2.gz MVIFYSJWOUPKIM-HOCLYGCPSA-N 2 0 338.496 1.568 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000590739313 449263812 /nfs/dbraw/zinc/26/38/12/449263812.db2.gz OIRDXSYSSQYTSP-SFHVURJKSA-N 2 0 330.476 1.848 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000590786573 449295034 /nfs/dbraw/zinc/29/50/34/449295034.db2.gz GJMYZQGPOPKDTI-HOTGVXAUSA-N 2 0 325.497 1.674 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@H]3CCC[N@H+](CC4CC4)C3)c21 ZINC000595991760 449300686 /nfs/dbraw/zinc/30/06/86/449300686.db2.gz JYTYSPPTPVLTSY-HZPDHXFCSA-N 2 0 345.491 1.571 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1SC ZINC000590956646 449358619 /nfs/dbraw/zinc/35/86/19/449358619.db2.gz SZGUVPZESRUYGG-XLNGHYISSA-N 2 0 327.538 1.654 20 0 EDADRP C[C@@H](NC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000606632893 449494066 /nfs/dbraw/zinc/49/40/66/449494066.db2.gz XEQIUAFLTQJQGC-BZUAXINKSA-N 2 0 340.512 1.515 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506815 449657273 /nfs/dbraw/zinc/65/72/73/449657273.db2.gz IYEVXASGZMLGGB-WMZOPIPTSA-N 2 0 334.508 1.147 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614506814 449657419 /nfs/dbraw/zinc/65/74/19/449657419.db2.gz IYEVXASGZMLGGB-SJLPKXTDSA-N 2 0 334.508 1.147 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)[nH]c1C ZINC000602544474 449664999 /nfs/dbraw/zinc/66/49/99/449664999.db2.gz JRHUMRUKDQCOLN-UHFFFAOYSA-N 2 0 336.480 1.473 20 0 EDADRP C[C@@H]1CN(CCNC(=O)c2cnn(-c3ccncc3)c2)[C@@H](C)CO1 ZINC000617720311 449770357 /nfs/dbraw/zinc/77/03/57/449770357.db2.gz AWGYBBXNVXGZQM-UONOGXRCSA-N 2 0 329.404 1.106 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000608356997 449817264 /nfs/dbraw/zinc/81/72/64/449817264.db2.gz ZROUPESTEAXCKU-KRWDZBQOSA-N 2 0 330.476 1.653 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000594954219 449818902 /nfs/dbraw/zinc/81/89/02/449818902.db2.gz RTRPOXKRZFQYAZ-SJORKVTESA-N 2 0 338.496 1.127 20 0 EDADRP C[N@H+](CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CCC1 ZINC000608500762 449860869 /nfs/dbraw/zinc/86/08/69/449860869.db2.gz CMZVPCGOYUNURM-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000615300514 450053608 /nfs/dbraw/zinc/05/36/08/450053608.db2.gz FKYUSQPWNWJMFG-VNQPRFMTSA-N 2 0 325.522 1.755 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000613523731 450212392 /nfs/dbraw/zinc/21/23/92/450212392.db2.gz YPOBUNBXKWAVFB-IEBWSBKVSA-N 2 0 331.460 1.049 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000618825959 450314433 /nfs/dbraw/zinc/31/44/33/450314433.db2.gz IXJIARIZMAVMTH-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCc3nc[nH]c3C2)cc1Cl ZINC000625436584 450359059 /nfs/dbraw/zinc/35/90/59/450359059.db2.gz KAPHSJWZUSUGOE-UHFFFAOYSA-N 2 0 347.806 1.549 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620478871 450498397 /nfs/dbraw/zinc/49/83/97/450498397.db2.gz JISYPHKMMWZYKD-MOPGFXCFSA-N 2 0 345.487 1.737 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(-c3ccc(F)cc3)nn2)CC1 ZINC000623357096 450504861 /nfs/dbraw/zinc/50/48/61/450504861.db2.gz ZWCJFNIEWDSFHF-UHFFFAOYSA-N 2 0 346.454 1.524 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CCSC1 ZINC000623708266 450569025 /nfs/dbraw/zinc/56/90/25/450569025.db2.gz BIEATFGDUQCPBO-DOTOQJQBSA-N 2 0 340.537 1.740 20 0 EDADRP CN(c1ccccc1C[NH2+]CCN1CC[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000623837384 450609423 /nfs/dbraw/zinc/60/94/23/450609423.db2.gz BQTBTCUQWFFOJT-IBGZPJMESA-N 2 0 346.519 1.373 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633012714 450610128 /nfs/dbraw/zinc/61/01/28/450610128.db2.gz IEMVZYDDEIKCNN-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNc3nc(N)[nH+]c(N)n3)cc2)C1 ZINC000623864463 450619024 /nfs/dbraw/zinc/61/90/24/450619024.db2.gz PHXUILKPWUZTGL-STQMWFEESA-N 2 0 341.463 1.209 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000627324693 450649970 /nfs/dbraw/zinc/64/99/70/450649970.db2.gz KBFSZKXVBDNGOU-OWCLPIDISA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H]([NH2+]C1(CNc2nc(N)[nH+]c(N)n2)CCCC1)c1ccccc1 ZINC000623958322 450652100 /nfs/dbraw/zinc/65/21/00/450652100.db2.gz JFTQDWOYQCZORU-GFCCVEGCSA-N 2 0 327.436 1.194 20 0 EDADRP CCN(CC[NH3+])[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000629556697 450734739 /nfs/dbraw/zinc/73/47/39/450734739.db2.gz OOJCVDSPTLDVCY-MRXNPFEDSA-N 2 0 332.492 1.436 20 0 EDADRP CCc1cc(N2CCC([NH2+]C[C@H](O)C[NH+]3CCCC3)CC2)ncn1 ZINC000629567598 450740407 /nfs/dbraw/zinc/74/04/07/450740407.db2.gz YUQIBNYRTQRKAD-KRWDZBQOSA-N 2 0 333.480 1.054 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])c1cc2ccccc2o1 ZINC000629578681 450745998 /nfs/dbraw/zinc/74/59/98/450745998.db2.gz DAPZREFSQLDKQB-ZIAGYGMSSA-N 2 0 333.432 1.906 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)CC1 ZINC000631744791 450746434 /nfs/dbraw/zinc/74/64/34/450746434.db2.gz YYZHTTZLRMVCGW-IAGOWNOFSA-N 2 0 343.537 1.842 20 0 EDADRP OC[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC000629584431 450750458 /nfs/dbraw/zinc/75/04/58/450750458.db2.gz QYPFORSEWMMFQA-CABCVRRESA-N 2 0 328.403 1.162 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000631758803 450754620 /nfs/dbraw/zinc/75/46/20/450754620.db2.gz JTQKFDBUCWDLBS-CALCHBBNSA-N 2 0 345.553 1.760 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)N(CC[NH+](CC)CC)CC(C)C ZINC000627461347 450754701 /nfs/dbraw/zinc/75/47/01/450754701.db2.gz MYVBUDCQLDAYRV-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624266439 450770623 /nfs/dbraw/zinc/77/06/23/450770623.db2.gz NODWVQHNMWZEGR-LJQANCHMSA-N 2 0 332.492 1.746 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NS(=O)(=O)CCC[NH+](C)C)C1 ZINC000631787429 450776379 /nfs/dbraw/zinc/77/63/79/450776379.db2.gz DAPUPZOMSZLIBE-WBVHZDCISA-N 2 0 339.505 1.693 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)[NH+](C)C ZINC000635254805 450785713 /nfs/dbraw/zinc/78/57/13/450785713.db2.gz IGODEPWFMCUPSY-KPFFTGBYSA-N 2 0 345.487 1.591 20 0 EDADRP [NH3+][C@]12CCC[C@H]1CN(C(=O)[C@H]1CCC[N@H+](Cc3cccnc3)C1)C2 ZINC000621693086 450837028 /nfs/dbraw/zinc/83/70/28/450837028.db2.gz TZHFBBZVCQYCDD-LNLFQRSKSA-N 2 0 328.460 1.633 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cccc4c3CCOC4)C2)nn1 ZINC000631828235 450800704 /nfs/dbraw/zinc/80/07/04/450800704.db2.gz JNWNPTPUMSXJKA-KRWDZBQOSA-N 2 0 327.432 1.647 20 0 EDADRP Cn1c2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc2oc1=O ZINC000631828392 450801577 /nfs/dbraw/zinc/80/15/77/450801577.db2.gz NYPNCFRXAGZIKY-MAUKXSAKSA-N 2 0 345.443 1.850 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921100 450880087 /nfs/dbraw/zinc/88/00/87/450880087.db2.gz MZZSZPPGAJIXTK-HZPDHXFCSA-N 2 0 331.526 1.655 20 0 EDADRP C[N@H+](CCNC(=O)C(C)(C)C[NH+]1CCOCC1)Cc1ccccc1 ZINC000635410640 450916653 /nfs/dbraw/zinc/91/66/53/450916653.db2.gz KNACFPLWBFFYJK-UHFFFAOYSA-N 2 0 333.476 1.593 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635415063 450921697 /nfs/dbraw/zinc/92/16/97/450921697.db2.gz GVOCLSFMSXZXEZ-ZACQAIPSSA-N 2 0 339.524 1.827 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000626811315 450924121 /nfs/dbraw/zinc/92/41/21/450924121.db2.gz AIRBVUQLKUDJMD-CEXWTWQISA-N 2 0 347.503 1.541 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CC[NH2+]C23CCC3)ccc1C[NH+](C)C ZINC000626852017 450958723 /nfs/dbraw/zinc/95/87/23/450958723.db2.gz VPCZHAVTWXCNLI-INIZCTEOSA-N 2 0 344.459 1.396 20 0 EDADRP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)CC1(O)CCOCC1 ZINC000630035880 450966727 /nfs/dbraw/zinc/96/67/27/450966727.db2.gz JQFZYBCALAJKFE-QGZVFWFLSA-N 2 0 326.481 1.087 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@H](C)[NH2+]C3)c2C1 ZINC000626888229 450985390 /nfs/dbraw/zinc/98/53/90/450985390.db2.gz JRFIJMQFQBPKHJ-DZGCQCFKSA-N 2 0 344.459 1.607 20 0 EDADRP C[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000626974470 451044394 /nfs/dbraw/zinc/04/43/94/451044394.db2.gz GZPJEJBEXAFQDW-HNNXBMFYSA-N 2 0 334.464 1.314 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@H]1COCC[NH2+]1 ZINC000626921596 451005409 /nfs/dbraw/zinc/00/54/09/451005409.db2.gz DPPMWTDTJFVCSP-UONOGXRCSA-N 2 0 338.477 1.173 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1)Cc1ccccc1 ZINC000626922018 451005875 /nfs/dbraw/zinc/00/58/75/451005875.db2.gz MUVFCKARFJBOHE-YSIASYRMSA-N 2 0 344.503 1.800 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[NH2+]1 ZINC000626932318 451014561 /nfs/dbraw/zinc/01/45/61/451014561.db2.gz VKTWDRNXPCTBMC-GDBMZVCRSA-N 2 0 334.464 1.567 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1)Cc1ccccc1 ZINC000635526555 451023223 /nfs/dbraw/zinc/02/32/23/451023223.db2.gz BODMGAIEQPFHAY-BZSNNMDCSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000626956409 451033235 /nfs/dbraw/zinc/03/32/35/451033235.db2.gz NIYWGKUKJKYPIE-HOCLYGCPSA-N 2 0 334.464 1.567 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626966464 451039267 /nfs/dbraw/zinc/03/92/67/451039267.db2.gz VPOFINAPMYIKQO-YNEHKIRRSA-N 2 0 338.418 1.885 20 0 EDADRP C[C@H](NC(=O)NCCOCCC[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627009346 451073716 /nfs/dbraw/zinc/07/37/16/451073716.db2.gz GRIVMDBMKDQRNI-FUHWJXTLSA-N 2 0 348.491 1.562 20 0 EDADRP CCN(CC[NH3+])C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000627009903 451073853 /nfs/dbraw/zinc/07/38/53/451073853.db2.gz LEASUZBUGRNVCZ-QZTJIDSGSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011477 451076246 /nfs/dbraw/zinc/07/62/46/451076246.db2.gz BJQGFPSOXLFYMG-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000635580932 451079641 /nfs/dbraw/zinc/07/96/41/451079641.db2.gz BEGDWWRLZYAPDA-MRXNPFEDSA-N 2 0 335.492 1.480 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627020659 451085670 /nfs/dbraw/zinc/08/56/70/451085670.db2.gz KGRAAFIRGSYFCV-NXHRZFHOSA-N 2 0 338.496 1.128 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCc1ccc(F)c(C[NH+](C)C)c1 ZINC000626979646 451048911 /nfs/dbraw/zinc/04/89/11/451048911.db2.gz GHEILDVEVICUQQ-UHFFFAOYSA-N 2 0 326.416 1.004 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H](C)[NH+](C)C ZINC000635633307 451121856 /nfs/dbraw/zinc/12/18/56/451121856.db2.gz ZHRDSUORTSVCBD-CQSZACIVSA-N 2 0 334.464 1.726 20 0 EDADRP C[C@@H]1CN(C(=O)NCCOCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000627219754 451193676 /nfs/dbraw/zinc/19/36/76/451193676.db2.gz IGWMTOPKRJRFQI-KRWDZBQOSA-N 2 0 348.491 1.515 20 0 EDADRP C[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635729638 451202606 /nfs/dbraw/zinc/20/26/06/451202606.db2.gz BXQOHKSVRQITGO-WCVJEAGWSA-N 2 0 340.512 1.115 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632331324 451202753 /nfs/dbraw/zinc/20/27/53/451202753.db2.gz KDUVDJWALUIFAN-HOTGVXAUSA-N 2 0 329.510 1.361 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000638093099 451259185 /nfs/dbraw/zinc/25/91/85/451259185.db2.gz AXJNRITVUATABV-CGTJXYLNSA-N 2 0 331.460 1.616 20 0 EDADRP C[N@H+](CCn1cc([C@@H]([NH3+])C2CCOCC2)nn1)Cc1cccc(F)c1 ZINC000630589079 451266723 /nfs/dbraw/zinc/26/67/23/451266723.db2.gz DAGXNKWOKMBPDL-SFHVURJKSA-N 2 0 347.438 1.976 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2cnc(C[NH3+])nc2)cc1 ZINC000638103789 451270667 /nfs/dbraw/zinc/27/06/67/451270667.db2.gz TYEWJRNASLGOHT-UHFFFAOYSA-N 2 0 343.431 1.196 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638112920 451281585 /nfs/dbraw/zinc/28/15/85/451281585.db2.gz XBPUQDDCZPONQN-CQSZACIVSA-N 2 0 325.416 1.282 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000638125814 451296004 /nfs/dbraw/zinc/29/60/04/451296004.db2.gz ZLAUTCFOVXRRCT-CQSZACIVSA-N 2 0 337.439 1.783 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636563320 451305482 /nfs/dbraw/zinc/30/54/82/451305482.db2.gz RTMBFFWGGQLHRV-ULQDDVLXSA-N 2 0 340.512 1.110 20 0 EDADRP CC[NH2+][C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137413 451310420 /nfs/dbraw/zinc/31/04/20/451310420.db2.gz KCHSMCXHZRBHGY-UONOGXRCSA-N 2 0 336.455 1.753 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638201040 451352393 /nfs/dbraw/zinc/35/23/93/451352393.db2.gz AGDXVURHQCDNBB-OCCSQVGLSA-N 2 0 345.447 1.031 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000638238952 451375664 /nfs/dbraw/zinc/37/56/64/451375664.db2.gz DYUBSGAGXZLNDN-KRWDZBQOSA-N 2 0 327.472 1.723 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000638265570 451387355 /nfs/dbraw/zinc/38/73/55/451387355.db2.gz FVKQRIGQMPJAJJ-CYZMBNFOSA-N 2 0 333.354 1.315 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638178253 451340373 /nfs/dbraw/zinc/34/03/73/451340373.db2.gz LQILNNYKHSVIGO-FUHWJXTLSA-N 2 0 344.503 1.484 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640576544 451421650 /nfs/dbraw/zinc/42/16/50/451421650.db2.gz WKIOKXNMLZMHEL-UHFFFAOYSA-N 2 0 336.484 1.148 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638308372 451422302 /nfs/dbraw/zinc/42/23/02/451422302.db2.gz NDVZBFZUDXYFIK-HYJFEMIMSA-N 2 0 345.487 1.780 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630852078 451438359 /nfs/dbraw/zinc/43/83/59/451438359.db2.gz GWXBFPSMMLBNOM-SOLBZPMBSA-N 2 0 347.507 1.922 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638352603 451454261 /nfs/dbraw/zinc/45/42/61/451454261.db2.gz NBQZJBXFLWSBRE-INDMIFKZSA-N 2 0 339.524 1.575 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cn1 ZINC000638366330 451463827 /nfs/dbraw/zinc/46/38/27/451463827.db2.gz HGYYZWSWEPVTIB-UHFFFAOYSA-N 2 0 341.503 1.890 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638432996 451512165 /nfs/dbraw/zinc/51/21/65/451512165.db2.gz PKKRWFKBTSUXAW-IEZWGBDMSA-N 2 0 331.460 1.249 20 0 EDADRP CO[C@@](C)(C[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000638512952 451552968 /nfs/dbraw/zinc/55/29/68/451552968.db2.gz KDAHYQXGRUTCBG-IBGZPJMESA-N 2 0 333.476 1.883 20 0 EDADRP C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC000638551176 451571989 /nfs/dbraw/zinc/57/19/89/451571989.db2.gz UXDHLLXJYPMYQO-BNOWGMLFSA-N 2 0 335.414 1.998 20 0 EDADRP C[C@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000638550781 451572301 /nfs/dbraw/zinc/57/23/01/451572301.db2.gz JBAWZPDMCZCQJD-MOPGFXCFSA-N 2 0 330.520 1.986 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638563868 451578752 /nfs/dbraw/zinc/57/87/52/451578752.db2.gz RKPXAYLYOBRXFO-UHFFFAOYSA-N 2 0 325.478 1.546 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000638567217 451579695 /nfs/dbraw/zinc/57/96/95/451579695.db2.gz JWHMAUZHMLKTIA-OKZBNKHCSA-N 2 0 341.459 1.058 20 0 EDADRP C[NH+]1CCC(Oc2ccc(C[NH2+][C@@H]3CCNC(=O)CC3)cc2)CC1 ZINC000634979510 451635262 /nfs/dbraw/zinc/63/52/62/451635262.db2.gz GNXAMFTXRKJIIT-INIZCTEOSA-N 2 0 331.460 1.918 20 0 EDADRP c1nc([C@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)c2ccccc2)n[nH]1 ZINC000635007053 451647837 /nfs/dbraw/zinc/64/78/37/451647837.db2.gz DJWQYMFAQPPYJL-QGZVFWFLSA-N 2 0 335.415 1.811 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@H]2CCCC[NH2+]2)CC[N@@H+]1CCOC ZINC000637001848 451672301 /nfs/dbraw/zinc/67/23/01/451672301.db2.gz OPSTWPMZZXGLJZ-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638784670 451690873 /nfs/dbraw/zinc/69/08/73/451690873.db2.gz IYURTZNIXOJWHS-QZTJIDSGSA-N 2 0 337.508 1.901 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638845519 451708952 /nfs/dbraw/zinc/70/89/52/451708952.db2.gz GGMCALZOCGDYOC-OAHLLOKOSA-N 2 0 327.350 1.491 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000638725505 451666553 /nfs/dbraw/zinc/66/65/53/451666553.db2.gz BAFNVTLAJAUWKE-FUHWJXTLSA-N 2 0 335.492 1.480 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)[C@]12CCCO2 ZINC000638739038 451671215 /nfs/dbraw/zinc/67/12/15/451671215.db2.gz PRZWPTBJNAQYAE-JFIYKMOQSA-N 2 0 326.481 1.538 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)CCCCCC1 ZINC000636483597 451731486 /nfs/dbraw/zinc/73/14/86/451731486.db2.gz RNDAJOXMIJHMIN-HNNXBMFYSA-N 2 0 326.485 1.007 20 0 EDADRP CO[C@@]1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCOC1 ZINC000638968894 451743067 /nfs/dbraw/zinc/74/30/67/451743067.db2.gz CXQRTUHSGDKXHU-RBUKOAKNSA-N 2 0 334.460 1.538 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)Cn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000641214288 451783831 /nfs/dbraw/zinc/78/38/31/451783831.db2.gz CAZVWCOCNUQOLP-HKUYNNGSSA-N 2 0 343.475 1.313 20 0 EDADRP O=C(NCC[NH2+]C1CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000637317803 451788250 /nfs/dbraw/zinc/78/82/50/451788250.db2.gz RCSOQGXPUWQQDV-CALCHBBNSA-N 2 0 328.460 1.512 20 0 EDADRP CCC[C@@H]([NH3+])c1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230744 451791315 /nfs/dbraw/zinc/79/13/15/451791315.db2.gz STQODXUCQSCKCN-SJLPKXTDSA-N 2 0 329.448 1.715 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H]1n1cccn1 ZINC000639212130 451792762 /nfs/dbraw/zinc/79/27/62/451792762.db2.gz BJHLJJFQGKNZJY-GVDBMIGSSA-N 2 0 336.480 1.427 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000641255305 451795201 /nfs/dbraw/zinc/79/52/01/451795201.db2.gz BLVMDJLOZXKQLO-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1Cc2ccccc2CO1 ZINC000637346744 451796679 /nfs/dbraw/zinc/79/66/79/451796679.db2.gz YLSBQUNSDFMGPJ-SFHVURJKSA-N 2 0 348.491 1.263 20 0 EDADRP COCC[NH+]1CCC(NC[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644528700 451842270 /nfs/dbraw/zinc/84/22/70/451842270.db2.gz QAONAQXKHUMXCN-IBGZPJMESA-N 2 0 335.492 1.180 20 0 EDADRP C[N@H+](CC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1)[C@H]1CCSC1 ZINC000649102762 451846841 /nfs/dbraw/zinc/84/68/41/451846841.db2.gz KHIBQZFPCSOFAG-SQNIBIBYSA-N 2 0 347.528 1.885 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000644548900 451855747 /nfs/dbraw/zinc/85/57/47/451855747.db2.gz ZSWVKSMIQLZSGJ-WMLDXEAASA-N 2 0 325.884 1.469 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639453948 451876151 /nfs/dbraw/zinc/87/61/51/451876151.db2.gz SXFXXHZDFVCALJ-UHFFFAOYSA-N 2 0 347.507 1.579 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC[C@H]1[NH3+] ZINC000642548536 451888883 /nfs/dbraw/zinc/88/88/83/451888883.db2.gz PFCJAEKMKIRTOD-KFWWJZLASA-N 2 0 340.512 1.055 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639506868 451912861 /nfs/dbraw/zinc/91/28/61/451912861.db2.gz RYKMLJSVDMUGPR-VQTJNVASSA-N 2 0 347.503 1.012 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])Cc2ccccc2C1)Cc1ccccc1 ZINC000649278288 451949863 /nfs/dbraw/zinc/94/98/63/451949863.db2.gz YXWSTPXBNHIWTC-LJQANCHMSA-N 2 0 337.467 1.772 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000649274359 451946155 /nfs/dbraw/zinc/94/61/55/451946155.db2.gz GFHGOMMOHSQBJJ-QAPCUYQASA-N 2 0 349.475 1.595 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cnn1C ZINC000649281140 451951970 /nfs/dbraw/zinc/95/19/70/451951970.db2.gz KYWFRJBPPBKGBO-SJORKVTESA-N 2 0 333.480 1.024 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646940518 451956507 /nfs/dbraw/zinc/95/65/07/451956507.db2.gz HNQWOVYZHILEIZ-HKUYNNGSSA-N 2 0 333.476 1.295 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000649287851 451960640 /nfs/dbraw/zinc/96/06/40/451960640.db2.gz CTHPCTUVFFGCJA-CQSZACIVSA-N 2 0 344.419 1.005 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cnn1C ZINC000649301593 451978720 /nfs/dbraw/zinc/97/87/20/451978720.db2.gz GAMLAHKZMZLRNQ-NXHRZFHOSA-N 2 0 345.491 1.118 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000649310850 451987901 /nfs/dbraw/zinc/98/79/01/451987901.db2.gz IAHKYXIQBAJJFI-OAHLLOKOSA-N 2 0 328.420 1.021 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1C[NH2+]CCOC1 ZINC000649310999 451989493 /nfs/dbraw/zinc/98/94/93/451989493.db2.gz SNMAWKOMVQYZNL-LJQANCHMSA-N 2 0 345.487 1.915 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649315882 451994250 /nfs/dbraw/zinc/99/42/50/451994250.db2.gz YVMLYRJUAVJZKC-SRABZTEZSA-N 2 0 342.443 1.073 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000639659823 452004736 /nfs/dbraw/zinc/00/47/36/452004736.db2.gz POASMWLBGINARL-KRWDZBQOSA-N 2 0 336.505 1.876 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C[C@H]1CC ZINC000649325188 452005135 /nfs/dbraw/zinc/00/51/35/452005135.db2.gz LVCHWRWRYWGYQK-KGLIPLIRSA-N 2 0 333.423 1.191 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000649326550 452007065 /nfs/dbraw/zinc/00/70/65/452007065.db2.gz BNEPLCWXYJLYNO-POORBHPNSA-N 2 0 335.492 1.604 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649332234 452012857 /nfs/dbraw/zinc/01/28/57/452012857.db2.gz IKOJOVOGNHXJIN-OAHLLOKOSA-N 2 0 334.468 1.199 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)C1 ZINC000649342972 452022210 /nfs/dbraw/zinc/02/22/10/452022210.db2.gz ZUXKPILDRFBPOF-JQHSSLGASA-N 2 0 347.507 1.222 20 0 EDADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@]2(N)CC[NH+](C)C2)c1 ZINC000649346617 452028044 /nfs/dbraw/zinc/02/80/44/452028044.db2.gz VZIDIRKZPKLIDC-HXUWFJFHSA-N 2 0 346.519 1.958 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@]3(N)CC[N@H+](C)C3)c(C)c2)CC1 ZINC000649348931 452032351 /nfs/dbraw/zinc/03/23/51/452032351.db2.gz HBWPWCGDDHMEOG-LJQANCHMSA-N 2 0 345.491 1.108 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000649350101 452033767 /nfs/dbraw/zinc/03/37/67/452033767.db2.gz FCCUYRIXBKPRHT-RBUKOAKNSA-N 2 0 344.503 1.425 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1)c1ccc(Br)cc1 ZINC000647057929 452034539 /nfs/dbraw/zinc/03/45/39/452034539.db2.gz BSSYXWPSFKSZMA-SGMGOOAPSA-N 2 0 344.228 1.439 20 0 EDADRP C[C@@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351718 452035677 /nfs/dbraw/zinc/03/56/77/452035677.db2.gz MDPBTXDNZCZDMO-ANRZDRKOSA-N 2 0 346.450 1.220 20 0 EDADRP CC[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000649359396 452040731 /nfs/dbraw/zinc/04/07/31/452040731.db2.gz WUTURQZOTNVGSA-IEBWSBKVSA-N 2 0 344.503 1.633 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(OC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000649381280 452054113 /nfs/dbraw/zinc/05/41/13/452054113.db2.gz YQJCGSOVFAMDBB-HOTGVXAUSA-N 2 0 341.496 1.008 20 0 EDADRP CO[C@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649382203 452054732 /nfs/dbraw/zinc/05/47/32/452054732.db2.gz VREDZNRJOSKOBK-VQTJNVASSA-N 2 0 331.504 1.956 20 0 EDADRP CC(C)([NH3+])CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637858073 452117972 /nfs/dbraw/zinc/11/79/72/452117972.db2.gz UXGQGIAUONPSCN-VQIMIIECSA-N 2 0 331.460 1.379 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637867594 452124538 /nfs/dbraw/zinc/12/45/38/452124538.db2.gz VQHDNGANRWZAGI-JTQLQIEISA-N 2 0 344.410 1.388 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H](n2ccnn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000639818009 452149967 /nfs/dbraw/zinc/14/99/67/452149967.db2.gz YEBOGGHXLWJTQT-QGZVFWFLSA-N 2 0 346.479 1.048 20 0 EDADRP Cn1c2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)ccc2oc1=O ZINC000637905968 452155302 /nfs/dbraw/zinc/15/53/02/452155302.db2.gz PXFPWMWNSDIKGP-UHFFFAOYSA-N 2 0 345.443 1.676 20 0 EDADRP CCCN(C(=O)NC1CCN(CC[NH+](C)C)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000645155052 452182568 /nfs/dbraw/zinc/18/25/68/452182568.db2.gz VMPFPISVPNLNKO-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP CN1CCN([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183298 452199381 /nfs/dbraw/zinc/19/93/81/452199381.db2.gz UDSFIHVUCSJQQK-GJZGRUSLSA-N 2 0 336.505 1.152 20 0 EDADRP CC(C)O[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000649700595 452203706 /nfs/dbraw/zinc/20/37/06/452203706.db2.gz HVEYCWPKKGWOLP-QGZVFWFLSA-N 2 0 325.497 1.865 20 0 EDADRP CC[N@H+](CCNc1nc(N)[nH+]c2c1CCCC2)CCC(F)(F)F ZINC000645223250 452218934 /nfs/dbraw/zinc/21/89/34/452218934.db2.gz AGSHIHNODYQFEB-UHFFFAOYSA-N 2 0 331.386 2.046 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccc3cnccc3c2)C1)N1CC[NH2+]CC1 ZINC000647486391 452230237 /nfs/dbraw/zinc/23/02/37/452230237.db2.gz KRWLYJNKPOQNQZ-LJQANCHMSA-N 2 0 338.455 1.879 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC[C@H]1CCOC1 ZINC000643464426 452234662 /nfs/dbraw/zinc/23/46/62/452234662.db2.gz WJHOSEYJXAFDHW-KVSKMBFKSA-N 2 0 332.444 1.885 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCO[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000647507344 452244225 /nfs/dbraw/zinc/24/42/25/452244225.db2.gz OAZYRIOUWCXQSV-YLJYHZDGSA-N 2 0 346.519 1.767 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468124 452262442 /nfs/dbraw/zinc/26/24/42/452262442.db2.gz IDTVHZJIKNWZKG-ZIFCJYIRSA-N 2 0 334.508 1.005 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645284944 452262907 /nfs/dbraw/zinc/26/29/07/452262907.db2.gz FOLBPDZKRPVDPV-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NCC12CC(C1)C[NH2+]2 ZINC000659444898 452293234 /nfs/dbraw/zinc/29/32/34/452293234.db2.gz CAIIQZGPJPDLJR-PGYGNJIDSA-N 2 0 342.487 1.950 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000659454797 452304661 /nfs/dbraw/zinc/30/46/61/452304661.db2.gz ONTRDVLDLSWADJ-AWEZNQCLSA-N 2 0 328.526 1.645 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C[C@H](C)O1 ZINC000652123869 452319228 /nfs/dbraw/zinc/31/92/28/452319228.db2.gz CYJGVTKAFAUASU-DFGXFYAUSA-N 2 0 338.496 1.256 20 0 EDADRP c1nc2cnccn2c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535537 452319586 /nfs/dbraw/zinc/31/95/86/452319586.db2.gz ORUPCXTYQBDHMB-UHFFFAOYSA-N 2 0 329.448 1.710 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC)C[C@H]1C[NH3+] ZINC000652124122 452320353 /nfs/dbraw/zinc/32/03/53/452320353.db2.gz OJJWFGIZKGYUBZ-BRWVUGGUSA-N 2 0 342.528 1.748 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])c1ccco1 ZINC000647593947 452330623 /nfs/dbraw/zinc/33/06/23/452330623.db2.gz YZXMBMKYEWTYOI-HZSPNIEDSA-N 2 0 338.452 1.021 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665759892 452332126 /nfs/dbraw/zinc/33/21/26/452332126.db2.gz SLQKCZKZGUQFJS-IRXDYDNUSA-N 2 0 341.544 1.384 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659481594 452342459 /nfs/dbraw/zinc/34/24/59/452342459.db2.gz JAGWKUPIRHWNTA-WAZRQNRBSA-N 2 0 328.460 1.640 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1cccc(OC)c1 ZINC000638056816 452345559 /nfs/dbraw/zinc/34/55/59/452345559.db2.gz LAMDAYPJWVSQTB-YESZJQIVSA-N 2 0 335.448 1.311 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC000652159099 452353743 /nfs/dbraw/zinc/35/37/43/452353743.db2.gz RMHXZPKUJKGYFL-DRRXZNNHSA-N 2 0 338.496 1.397 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638062244 452354098 /nfs/dbraw/zinc/35/40/98/452354098.db2.gz DESRZRROUJGSPF-QGZVFWFLSA-N 2 0 344.503 1.440 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)Cc1ccccc1 ZINC000638064586 452363930 /nfs/dbraw/zinc/36/39/30/452363930.db2.gz NONGBYINYWNULD-HKUYNNGSSA-N 2 0 333.476 1.434 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000638066105 452369901 /nfs/dbraw/zinc/36/99/01/452369901.db2.gz YSOXGAWPJYCNMB-PKOBYXMFSA-N 2 0 331.460 1.666 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179622 452373100 /nfs/dbraw/zinc/37/31/00/452373100.db2.gz SSXFWWFSBGYWQW-NVXWUHKLSA-N 2 0 330.476 1.935 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCC1(C[NH3+])CC1 ZINC000652179621 452373344 /nfs/dbraw/zinc/37/33/44/452373344.db2.gz SSXFWWFSBGYWQW-DOTOQJQBSA-N 2 0 330.476 1.935 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000659509842 452373495 /nfs/dbraw/zinc/37/34/95/452373495.db2.gz ITYMWWMIQCJANW-PAYONLEZSA-N 2 0 348.466 1.959 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000638071242 452378703 /nfs/dbraw/zinc/37/87/03/452378703.db2.gz AVCXPPNIHFWCHN-KURKYZTESA-N 2 0 330.476 1.189 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000659520453 452383030 /nfs/dbraw/zinc/38/30/30/452383030.db2.gz QIDGVVMCUQEAEW-IRXDYDNUSA-N 2 0 334.464 1.439 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000659526915 452391190 /nfs/dbraw/zinc/39/11/90/452391190.db2.gz GWUOXWDNEBBQHN-BZSNNMDCSA-N 2 0 346.475 1.567 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000659558026 452414782 /nfs/dbraw/zinc/41/47/82/452414782.db2.gz BFKLAHZVKKYCGN-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000654367449 452417881 /nfs/dbraw/zinc/41/78/81/452417881.db2.gz BKNJMFUOLLAUJT-CALCHBBNSA-N 2 0 348.491 1.766 20 0 EDADRP [NH3+]CC1(CCNC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000652235819 452424039 /nfs/dbraw/zinc/42/40/39/452424039.db2.gz UFSMPUADLKBVSU-HDICACEKSA-N 2 0 342.487 1.889 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659584786 452440742 /nfs/dbraw/zinc/44/07/42/452440742.db2.gz METQSZDWVRJSQY-QZTJIDSGSA-N 2 0 346.450 1.832 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(OC)cc2)C1 ZINC000659588443 452444143 /nfs/dbraw/zinc/44/41/43/452444143.db2.gz PTDLGYALMDQQEB-DJIMGWMZSA-N 2 0 332.448 1.144 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659589165 452445514 /nfs/dbraw/zinc/44/55/14/452445514.db2.gz LJQAEMUXILIDIK-ODVANORSSA-N 2 0 334.439 1.650 20 0 EDADRP CN1CCN(C(=O)NCCc2nsc3ccccc32)[C@@H](C[NH3+])C1 ZINC000659611397 452467550 /nfs/dbraw/zinc/46/75/50/452467550.db2.gz LEBYTSNLLVFNRT-LBPRGKRZSA-N 2 0 333.461 1.123 20 0 EDADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000659619764 452476115 /nfs/dbraw/zinc/47/61/15/452476115.db2.gz AKGGMFLMKZDBHQ-UHFFFAOYSA-N 2 0 332.448 1.637 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12 ZINC000654437012 452494928 /nfs/dbraw/zinc/49/49/28/452494928.db2.gz AXCUVIYOCSEFOC-BRWVUGGUSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652322177 452497220 /nfs/dbraw/zinc/49/72/20/452497220.db2.gz CYAYTLPQJHPTJK-UHFFFAOYSA-N 2 0 339.528 1.091 20 0 EDADRP CC[C@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)[NH+](CC)CC ZINC000647765428 452499986 /nfs/dbraw/zinc/49/99/86/452499986.db2.gz OGCPLKHLRNZJHS-NVXWUHKLSA-N 2 0 325.497 1.819 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CCOCC1 ZINC000654443834 452506580 /nfs/dbraw/zinc/50/65/80/452506580.db2.gz BKKGDUZEMRKJOC-HZPDHXFCSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccc(S(=O)(=O)NC4CC4)cc3)C[C@H]21 ZINC000652340425 452510500 /nfs/dbraw/zinc/51/05/00/452510500.db2.gz UHZFIJBEXUJCEV-BMGDILEWSA-N 2 0 349.500 1.687 20 0 EDADRP C[C@H](C(=O)Nc1ncccn1)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345977 452520183 /nfs/dbraw/zinc/52/01/83/452520183.db2.gz QIUDBKUDKURHMZ-CBBWQLFWSA-N 2 0 333.436 1.022 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347493 452522318 /nfs/dbraw/zinc/52/23/18/452522318.db2.gz CFEOSCFVMREFLM-BQFCYCMXSA-N 2 0 337.508 1.852 20 0 EDADRP O=C(c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1)N1CCOCC1 ZINC000647789900 452522968 /nfs/dbraw/zinc/52/29/68/452522968.db2.gz NSGIBXUDVICSOA-GBESFXJTSA-N 2 0 343.471 1.637 20 0 EDADRP CS(=O)(=O)c1ccc(OCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647788899 452523037 /nfs/dbraw/zinc/52/30/37/452523037.db2.gz UYDBTTZCKBUUDC-RBSFLKMASA-N 2 0 338.473 1.447 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000647792862 452524488 /nfs/dbraw/zinc/52/44/88/452524488.db2.gz BNKRHUWPMUYUQP-BFHYXJOUSA-N 2 0 343.518 1.313 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647795471 452527212 /nfs/dbraw/zinc/52/72/12/452527212.db2.gz QGPBCFMNVLJQDD-IIAWOOMASA-N 2 0 343.537 1.557 20 0 EDADRP CNC(=O)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(OC)c(F)c1 ZINC000647799530 452531594 /nfs/dbraw/zinc/53/15/94/452531594.db2.gz JFKRFLJVTAVPQC-JZWPEALZSA-N 2 0 349.450 1.612 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361902 452541210 /nfs/dbraw/zinc/54/12/10/452541210.db2.gz SDYFFHHQNBFEIZ-IKGGRYGDSA-N 2 0 335.492 1.652 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000659680985 452552611 /nfs/dbraw/zinc/55/26/11/452552611.db2.gz NWBDRQWHXVTTAM-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659680750 452553038 /nfs/dbraw/zinc/55/30/38/452553038.db2.gz KAEFUOYBOVVOPZ-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663831586 452558012 /nfs/dbraw/zinc/55/80/12/452558012.db2.gz WNPRUODYRUFHSZ-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000650165237 452566321 /nfs/dbraw/zinc/56/63/21/452566321.db2.gz SMAQNHDWBPOTML-UHFFFAOYSA-N 2 0 348.495 1.521 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663849988 452575500 /nfs/dbraw/zinc/57/55/00/452575500.db2.gz OVDJDZXZXGDUCZ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000659698738 452584048 /nfs/dbraw/zinc/58/40/48/452584048.db2.gz KULFMHYEAMWYCW-JKSUJKDBSA-N 2 0 340.512 1.247 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NC(C)(C)C[NH+]2CCCC2)CC1(C)C ZINC000655891323 452646607 /nfs/dbraw/zinc/64/66/07/452646607.db2.gz DBEKTIAWHOMTRI-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1)[C@H]1CCC[NH2+]1 ZINC000647905659 452647325 /nfs/dbraw/zinc/64/73/25/452647325.db2.gz IOLKOWSYPCMPOR-ZWKOTPCHSA-N 3 0 336.524 1.346 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000666183566 452666812 /nfs/dbraw/zinc/66/68/12/452666812.db2.gz KMJUIEFWPYWJIP-MRXNPFEDSA-N 2 0 348.495 1.688 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000652486210 452682046 /nfs/dbraw/zinc/68/20/46/452682046.db2.gz TWWPHIGLEGZCNT-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP CCO[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000658034593 452695995 /nfs/dbraw/zinc/69/59/95/452695995.db2.gz JVJKGCMVKLMLLN-BHIYHBOVSA-N 2 0 343.475 1.793 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]C2)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655958843 452739804 /nfs/dbraw/zinc/73/98/04/452739804.db2.gz OTQVQOCSAZZUQJ-IAGOWNOFSA-N 2 0 342.443 1.361 20 0 EDADRP C[C@@H](CNC(=O)NC[C@]1(C)CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655964929 452745335 /nfs/dbraw/zinc/74/53/35/452745335.db2.gz JFXZJIZZEJPBSC-LJIGWXMPSA-N 2 0 326.485 1.173 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000655966604 452747875 /nfs/dbraw/zinc/74/78/75/452747875.db2.gz 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CC(C)C[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662674095 453389744 /nfs/dbraw/zinc/38/97/44/453389744.db2.gz UZCXOFUHAPVMRG-INIZCTEOSA-N 2 0 348.495 1.443 20 0 EDADRP [NH3+]C1(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC2(CCC2)C1 ZINC000662676802 453396520 /nfs/dbraw/zinc/39/65/20/453396520.db2.gz NAUDEABNNHGQHT-UHFFFAOYSA-N 2 0 328.460 1.824 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000653202937 453398368 /nfs/dbraw/zinc/39/83/68/453398368.db2.gz VTPIGKOFVQOYPB-JFUJAIADSA-N 2 0 327.472 1.962 20 0 EDADRP CN(C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000651261646 453403213 /nfs/dbraw/zinc/40/32/13/453403213.db2.gz RUILQKDQQZMNIS-VQHPVUNQSA-N 2 0 336.480 1.116 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000662695340 453416362 /nfs/dbraw/zinc/41/63/62/453416362.db2.gz ZEWNZIOUOGHHNU-DOTOQJQBSA-N 2 0 333.480 1.658 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662703945 453426558 /nfs/dbraw/zinc/42/65/58/453426558.db2.gz WZSREJUEAMEFNY-UHFFFAOYSA-N 2 0 331.460 1.918 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662707813 453430986 /nfs/dbraw/zinc/43/09/86/453430986.db2.gz IFSQDGCFOCDTQD-FUHWJXTLSA-N 2 0 329.444 1.591 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccnn1CC[NH+](C)C ZINC000667151394 453440623 /nfs/dbraw/zinc/44/06/23/453440623.db2.gz JKXPYDWXBXVODR-HNNXBMFYSA-N 2 0 336.484 1.687 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662717923 453442210 /nfs/dbraw/zinc/44/22/10/453442210.db2.gz DVABZGUNBBZGMD-BGTYHANMSA-N 2 0 331.460 1.520 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000664882979 453462798 /nfs/dbraw/zinc/46/27/98/453462798.db2.gz VMZBYCAFPFMUQD-JYJNAYRXSA-N 2 0 328.501 1.230 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(-c3ccccc3)nn2)[C@H](C[NH3+])C1 ZINC000667193204 453466876 /nfs/dbraw/zinc/46/68/76/453466876.db2.gz UBNWSKRHRNYABM-CQSZACIVSA-N 2 0 326.404 1.250 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C[C@@H]1C ZINC000662743745 453470548 /nfs/dbraw/zinc/47/05/48/453470548.db2.gz UDTOHSZHORNBHX-JYJNAYRXSA-N 2 0 348.495 1.538 20 0 EDADRP C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C(C)(C)C[NH+](C)C ZINC000662744419 453472668 /nfs/dbraw/zinc/47/26/68/453472668.db2.gz DNHQNQUYJKNCLD-KBPBESRZSA-N 2 0 336.484 1.299 20 0 EDADRP [NH3+]Cc1cc(=O)[nH]c(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000662752661 453488729 /nfs/dbraw/zinc/48/87/29/453488729.db2.gz SPVZMALVMZREST-UHFFFAOYSA-N 2 0 341.415 1.167 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](CC)[NH2+]C ZINC000662757122 453494789 /nfs/dbraw/zinc/49/47/89/453494789.db2.gz LXMGWJSGZWWZHV-HNNXBMFYSA-N 2 0 334.464 1.774 20 0 EDADRP Cc1cc(NC(=O)[C@H]2C[C@@]23CCC[NH2+]C3)n(C2CC[NH+](C)CC2)n1 ZINC000655449422 453536584 /nfs/dbraw/zinc/53/65/84/453536584.db2.gz WWFCSVBQEPTPOC-CRAIPNDOSA-N 2 0 331.464 1.786 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000646664118 453549159 /nfs/dbraw/zinc/54/91/59/453549159.db2.gz YHYDMOXZUQLCDO-JQHSSLGASA-N 2 0 330.476 1.798 20 0 EDADRP CCC[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1CCOC ZINC000662826018 453553805 /nfs/dbraw/zinc/55/38/05/453553805.db2.gz QPMDMGBBSPZXOD-MRXNPFEDSA-N 2 0 331.460 1.863 20 0 EDADRP Cc1c(C[NH3+])c(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)nn1C ZINC000662835931 453562643 /nfs/dbraw/zinc/56/26/43/453562643.db2.gz QGAWIWGDEORTRX-AWEZNQCLSA-N 2 0 327.432 1.818 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857592 453574335 /nfs/dbraw/zinc/57/43/35/453574335.db2.gz BLOJKULRGVREIH-GOSISDBHSA-N 2 0 331.460 1.259 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000659022649 453585342 /nfs/dbraw/zinc/58/53/42/453585342.db2.gz NZHHKCCUZSQZDK-QGZVFWFLSA-N 2 0 332.448 1.781 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC[N@H+]1C ZINC000659038601 453593638 /nfs/dbraw/zinc/59/36/38/453593638.db2.gz TVOJDLRRQSRLDX-JKIFEVAISA-N 2 0 332.448 1.904 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NCC34CC(C3)C[NH2+]4)cc2)CC1 ZINC000662923258 453606904 /nfs/dbraw/zinc/60/69/04/453606904.db2.gz SJHITGIJINQJQA-UHFFFAOYSA-N 2 0 342.487 1.699 20 0 EDADRP C([NH2+][C@H](C1CC1)[C@H]1CNCCO1)C1CC[NH+](C2CCOCC2)CC1 ZINC000665233561 453617327 /nfs/dbraw/zinc/61/73/27/453617327.db2.gz KSBFECPDYJMNOB-RTBURBONSA-N 2 0 337.508 1.234 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240924 453620695 /nfs/dbraw/zinc/62/06/95/453620695.db2.gz VZHTUVJRTFFQEU-VQIMIIECSA-N 2 0 332.492 1.650 20 0 EDADRP C[C@@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C[NH+](C)C ZINC000660870812 453625724 /nfs/dbraw/zinc/62/57/24/453625724.db2.gz HQUFLDCXOVDRAU-GDBMZVCRSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000659096385 453628905 /nfs/dbraw/zinc/62/89/05/453628905.db2.gz PWBLHRGUBHKAOK-AWEZNQCLSA-N 2 0 344.459 1.260 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000662971249 453630186 /nfs/dbraw/zinc/63/01/86/453630186.db2.gz DYLAJFAQOYSOAQ-IBGZPJMESA-N 2 0 327.472 1.939 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CCO1 ZINC000662971679 453631105 /nfs/dbraw/zinc/63/11/05/453631105.db2.gz CZQUPOCUKJTVLQ-FUHWJXTLSA-N 2 0 331.460 1.790 20 0 EDADRP [NH3+]C1(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)Cc2ccccc2C1 ZINC000663000562 453642734 /nfs/dbraw/zinc/64/27/34/453642734.db2.gz JNCHAWBRKGFQMK-INIZCTEOSA-N 2 0 327.472 1.721 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000663004074 453644562 /nfs/dbraw/zinc/64/45/62/453644562.db2.gz PBEPIAMRIQRSCD-AEFFLSMTSA-N 2 0 345.491 1.659 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000665356449 453664514 /nfs/dbraw/zinc/66/45/14/453664514.db2.gz PLTRYSUUSVXABK-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659349819 453724902 /nfs/dbraw/zinc/72/49/02/453724902.db2.gz MVSAZGWHLIRTAX-JDFRZJQESA-N 2 0 337.414 1.916 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665556556 453748785 /nfs/dbraw/zinc/74/87/85/453748785.db2.gz ZKTXNMDGAYSTOE-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N(C)CC2C[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000661193915 453753709 /nfs/dbraw/zinc/75/37/09/453753709.db2.gz VEMCBMRVXQTCOF-CRAIPNDOSA-N 2 0 330.476 1.852 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657348139 453770617 /nfs/dbraw/zinc/77/06/17/453770617.db2.gz LNXNQXPAVWWCNL-UHFFFAOYSA-N 2 0 347.429 1.802 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC1 ZINC000663454850 453803053 /nfs/dbraw/zinc/80/30/53/453803053.db2.gz VRWRYEOBIYEPBY-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CN1CCN(C(=O)CN[C@H](C[NH+]2CCCCC2)c2ccccc2)CC1 ZINC000679937268 486675857 /nfs/dbraw/zinc/67/58/57/486675857.db2.gz DIDNOJVTGAYSGW-LJQANCHMSA-N 2 0 344.503 1.577 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccccc2-n2cncn2)CCCO1 ZINC000683343867 486693044 /nfs/dbraw/zinc/69/30/44/486693044.db2.gz AHEFDANQURPJOY-MRXNPFEDSA-N 2 0 329.448 1.858 20 0 EDADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1CC[NH+](C)CC1 ZINC000683375564 486699735 /nfs/dbraw/zinc/69/97/35/486699735.db2.gz DRWUXPOPXCEGEJ-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP CC1(C)CC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC(C)(C)[NH2+]1 ZINC000672663462 486756174 /nfs/dbraw/zinc/75/61/74/486756174.db2.gz KYWYKYYAMIIHKN-UHFFFAOYSA-N 2 0 340.512 1.394 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000672753963 486791161 /nfs/dbraw/zinc/79/11/61/486791161.db2.gz DBFKUSJTFCGKGS-NVXWUHKLSA-N 2 0 334.464 1.691 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC[C@H]3CCCC[NH+]3C)C2)CC1 ZINC000672889237 486831903 /nfs/dbraw/zinc/83/19/03/486831903.db2.gz MKNVSGTWWSZCHZ-IAGOWNOFSA-N 2 0 336.524 1.536 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000677010222 486953742 /nfs/dbraw/zinc/95/37/42/486953742.db2.gz XXGRUDIPCUROPP-GOSISDBHSA-N 2 0 330.476 1.904 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](OC)C1CCC1 ZINC000667812293 486976211 /nfs/dbraw/zinc/97/62/11/486976211.db2.gz IVGVTALTLZIKEX-DLBZAZTESA-N 2 0 325.497 1.676 20 0 EDADRP O=C(N[C@@H]1CC[NH+](CC2CC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673666860 487083271 /nfs/dbraw/zinc/08/32/71/487083271.db2.gz KSBLNFPAAASOIE-UYAOXDASSA-N 2 0 343.471 1.224 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000677798889 487170431 /nfs/dbraw/zinc/17/04/31/487170431.db2.gz DQDBKRWVRICLKN-OGWHTMIXSA-N 2 0 345.487 1.611 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCSC1 ZINC000673979703 487175901 /nfs/dbraw/zinc/17/59/01/487175901.db2.gz IXXFCEMCDMCVJT-ZBFHGGJFSA-N 2 0 326.510 1.207 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)[NH+](C)C ZINC000674288375 487228442 /nfs/dbraw/zinc/22/84/42/487228442.db2.gz YWBDVCSQYYIMAQ-AWEZNQCLSA-N 2 0 346.475 1.315 20 0 EDADRP CS(=O)(=O)Nc1cccc(CN2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000678277657 487279545 /nfs/dbraw/zinc/27/95/45/487279545.db2.gz YXQRDUYCZCNQBL-MRXNPFEDSA-N 2 0 337.489 1.976 20 0 EDADRP C[C@@H](C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H](C)[NH+](C)C)[NH+](C)C ZINC000678862285 487373222 /nfs/dbraw/zinc/37/32/22/487373222.db2.gz BXQOHKSVRQITGO-CAOSSQGBSA-N 2 0 340.512 1.115 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+](CCOC)CC1 ZINC000675183355 487385797 /nfs/dbraw/zinc/38/57/97/487385797.db2.gz ZNPAZRCVSYSHJR-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000679086525 487391057 /nfs/dbraw/zinc/39/10/57/487391057.db2.gz KFZASRGVSRRRSG-HKUYNNGSSA-N 2 0 346.519 1.947 20 0 EDADRP OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000682703079 487407560 /nfs/dbraw/zinc/40/75/60/487407560.db2.gz FNFCGLBXVPWDHN-SFHVURJKSA-N 2 0 337.895 1.991 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000682836209 487420025 /nfs/dbraw/zinc/42/00/25/487420025.db2.gz QLFLCISIFQPLOS-INIZCTEOSA-N 2 0 339.505 1.901 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000669512669 485477458 /nfs/dbraw/zinc/47/74/58/485477458.db2.gz CCVLJCPQFIZCCA-KDOFPFPSSA-N 2 0 331.460 1.417 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000669518041 485483639 /nfs/dbraw/zinc/48/36/39/485483639.db2.gz UPAKNEPQBINUJQ-RDJZCZTQSA-N 2 0 334.439 1.651 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)Cc1ccc(F)cc1 ZINC000669518042 485483726 /nfs/dbraw/zinc/48/37/26/485483726.db2.gz UPAKNEPQBINUJQ-WBVHZDCISA-N 2 0 334.439 1.651 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@@H]1CCc2cncn2C1 ZINC000668970038 485507960 /nfs/dbraw/zinc/50/79/60/485507960.db2.gz JMQXPFWUYVXXNX-CQSZACIVSA-N 2 0 341.415 1.245 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669556100 485558931 /nfs/dbraw/zinc/55/89/31/485558931.db2.gz HBTVYHMAPXEGOA-ROUUACIJSA-N 2 0 346.475 1.195 20 0 EDADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557174 485559823 /nfs/dbraw/zinc/55/98/23/485559823.db2.gz WSJZDXGUOZZOCZ-OKZBNKHCSA-N 2 0 330.476 1.806 20 0 EDADRP O=C(NCC1C[NH2+]C1)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556897 485560036 /nfs/dbraw/zinc/56/00/36/485560036.db2.gz NDQOLSCWKAALNM-GBESFXJTSA-N 2 0 342.487 1.806 20 0 EDADRP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669557205 485560996 /nfs/dbraw/zinc/56/09/96/485560996.db2.gz YJKWRPKZNIHIGI-KZNAEPCWSA-N 2 0 330.476 1.935 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)c1ccco1 ZINC000669584182 485633631 /nfs/dbraw/zinc/63/36/31/485633631.db2.gz YWAXCAZZPVHRRO-AYDFFVQHSA-N 2 0 338.452 1.466 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000669610181 485717861 /nfs/dbraw/zinc/71/78/61/485717861.db2.gz SGIOBAVYQPREPH-INIZCTEOSA-N 2 0 339.528 1.184 20 0 EDADRP c1cc2n(n1)C[C@H](C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)CN2 ZINC000668440742 485755343 /nfs/dbraw/zinc/75/53/43/485755343.db2.gz QZNGCCFFGRIZEN-MRXNPFEDSA-N 2 0 333.480 1.405 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000669198507 485800567 /nfs/dbraw/zinc/80/05/67/485800567.db2.gz DJGAIXDYSSYEHF-YJBOKZPZSA-N 2 0 346.475 1.540 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179253 485888451 /nfs/dbraw/zinc/88/84/51/485888451.db2.gz PQMBRYPFYDVKOX-QZTJIDSGSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000343291925 485931008 /nfs/dbraw/zinc/93/10/08/485931008.db2.gz DGQNVYQRHZKIFQ-CVEARBPZSA-N 2 0 325.497 1.437 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CC3([NH3+])CCC3)ccc2oc1=O ZINC000236989829 485948675 /nfs/dbraw/zinc/94/86/75/485948675.db2.gz JHEXWCJBYSBPEH-UHFFFAOYSA-N 2 0 332.404 1.366 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000344684720 485948919 /nfs/dbraw/zinc/94/89/19/485948919.db2.gz IBDDRJKGELFIRG-MSOLQXFVSA-N 2 0 337.508 1.676 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420212 486139360 /nfs/dbraw/zinc/13/93/60/486139360.db2.gz DVXPNBTUPHPXDX-WMZOPIPTSA-N 2 0 330.476 1.935 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1c(F)cncc1Br ZINC000668160761 486181886 /nfs/dbraw/zinc/18/18/86/486181886.db2.gz FSVRDKKXXYOBIJ-UHFFFAOYSA-N 2 0 347.276 1.908 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000669508896 486292034 /nfs/dbraw/zinc/29/20/34/486292034.db2.gz UXYHWLCRMOGHNT-AEFFLSMTSA-N 2 0 325.412 1.698 20 0 EDADRP CN(c1nnc([C@@H]2C[NH+]3CCC[C@@H]3CO2)n1C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668931669 486357287 /nfs/dbraw/zinc/35/72/87/486357287.db2.gz KYBMGJCYPBJOOI-XHSDSOJGSA-N 2 0 346.479 1.024 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000670503669 486598900 /nfs/dbraw/zinc/59/89/00/486598900.db2.gz PNUONLZHYDYBIJ-MRXNPFEDSA-N 2 0 340.512 1.212 20 0 EDADRP C[C@@H](NC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[C@H]1CN(C)CCO1 ZINC000133016677 491218949 /nfs/dbraw/zinc/21/89/49/491218949.db2.gz WSLFKAPDLXMIMI-TZMCWYRMSA-N 2 0 326.485 1.314 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000073225587 491007774 /nfs/dbraw/zinc/00/77/74/491007774.db2.gz VVJYMTYHJQYOOB-IRXDYDNUSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cn1 ZINC000638419889 491020754 /nfs/dbraw/zinc/02/07/54/491020754.db2.gz STXBHZIHDVSYIB-QGZVFWFLSA-N 2 0 343.431 1.358 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)OCO2 ZINC000153286296 534448402 /nfs/dbraw/zinc/44/84/02/534448402.db2.gz ZSUQGHCUYOFRKC-HOSILWTGSA-N 2 0 336.432 1.473 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167395752 534615694 /nfs/dbraw/zinc/61/56/94/534615694.db2.gz ILARYKVOPFWEBT-APWZRJJASA-N 2 0 343.471 1.272 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188724124 525208246 /nfs/dbraw/zinc/20/82/46/525208246.db2.gz MGKJQAXNNPHHDI-ZIAGYGMSSA-N 2 0 333.480 1.543 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000187085314 528537493 /nfs/dbraw/zinc/53/74/93/528537493.db2.gz FKKRYDRHJDCHRC-MRXNPFEDSA-N 2 0 340.443 1.042 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000178789683 529045340 /nfs/dbraw/zinc/04/53/40/529045340.db2.gz BBIMDPDZOBJJSP-KRWDZBQOSA-N 2 0 330.476 1.699 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000263793148 536547210 /nfs/dbraw/zinc/54/72/10/536547210.db2.gz RIJLXPHGHDCQED-UHFFFAOYSA-N 2 0 333.476 1.979 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000236730077 535033625 /nfs/dbraw/zinc/03/36/25/535033625.db2.gz UHYQVCYXMDZGAO-GOSISDBHSA-N 2 0 332.492 1.681 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000236609896 535175671 /nfs/dbraw/zinc/17/56/71/535175671.db2.gz COUQNCSFIJRSLE-CQSZACIVSA-N 2 0 334.468 1.053 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262304597 535280992 /nfs/dbraw/zinc/28/09/92/535280992.db2.gz CBSBLBZYAJLDPS-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000057414973 535534914 /nfs/dbraw/zinc/53/49/14/535534914.db2.gz HURGFZBMIGUFHY-UHFFFAOYSA-N 2 0 333.480 1.687 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]([NH3+])C2CCOCC2)cc1 ZINC000261617103 535606675 /nfs/dbraw/zinc/60/66/75/535606675.db2.gz BWELKBNUKHSQQX-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H](C)[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC000246329300 535731885 /nfs/dbraw/zinc/73/18/85/535731885.db2.gz JQOROADRDKFOCR-XLAORIBOSA-N 2 0 336.524 1.486 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000342731993 535745039 /nfs/dbraw/zinc/74/50/39/535745039.db2.gz ZHTLSTYRARESFN-FQEVSTJZSA-N 2 0 344.503 1.948 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000333141436 535756049 /nfs/dbraw/zinc/75/60/49/535756049.db2.gz KYOUKCFKTIRECM-QAPCUYQASA-N 2 0 343.475 1.654 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353098968 536365928 /nfs/dbraw/zinc/36/59/28/536365928.db2.gz SXLHCUQZIKNFSQ-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[N@H+](CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)Cc1ccccc1 ZINC000262740951 536384845 /nfs/dbraw/zinc/38/48/45/536384845.db2.gz JHVNJPKWRKITCI-KRWDZBQOSA-N 2 0 341.459 1.669 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)o1 ZINC000262276297 536666076 /nfs/dbraw/zinc/66/60/76/536666076.db2.gz TWVOQDXNHJHUPP-UKRRQHHQSA-N 2 0 349.431 1.146 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]([NH3+])CC(F)F)CCCC2)CC1 ZINC000345800575 536754420 /nfs/dbraw/zinc/75/44/20/536754420.db2.gz MMIJHPXCTBOROG-CYBMUJFWSA-N 2 0 333.423 1.509 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000742780639 579462307 /nfs/dbraw/zinc/46/23/07/579462307.db2.gz MUYFGZAGGBYESI-DLBZAZTESA-N 2 0 327.513 1.802 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000729618158 578584779 /nfs/dbraw/zinc/58/47/79/578584779.db2.gz HKISIHGUYPRNNN-BRWVUGGUSA-N 2 0 336.480 1.119 20 0 EDADRP CCN(C)c1ccccc1CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000741087092 578645358 /nfs/dbraw/zinc/64/53/58/578645358.db2.gz SGBROWBRRIYFBB-UHFFFAOYSA-N 2 0 349.523 1.778 20 0 EDADRP C[NH+]1CCC(CNC(=S)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000760499164 580032251 /nfs/dbraw/zinc/03/22/51/580032251.db2.gz KQXASQCQEUOJGD-KRWDZBQOSA-N 2 0 338.565 1.866 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=S)NCC[NH+](C)C)[C@H](C)C1 ZINC000734386759 578812701 /nfs/dbraw/zinc/81/27/01/578812701.db2.gz VEQGRKNYQMZBOK-CABCVRRESA-N 2 0 330.542 1.149 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2-c2nn[nH]n2)CC1 ZINC000736149045 578957733 /nfs/dbraw/zinc/95/77/33/578957733.db2.gz RAUQPKDXLPBQID-CQSZACIVSA-N 2 0 344.463 1.391 20 0 EDADRP C[C@H](CNC(=O)Nc1cnn(CC[NH+](C)C)c1)[N@@H+]1CCCC[C@@H]1C ZINC000747553943 579648714 /nfs/dbraw/zinc/64/87/14/579648714.db2.gz AVZUYFPLDJGJGG-LSDHHAIUSA-N 2 0 336.484 1.829 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CC1 ZINC000747572435 579649403 /nfs/dbraw/zinc/64/94/03/579649403.db2.gz CAEVJLKCRBBDLC-RCCFBDPRSA-N 2 0 337.508 1.817 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000748982723 579709308 /nfs/dbraw/zinc/70/93/08/579709308.db2.gz LJLOGAVSNOHFPD-HNNXBMFYSA-N 2 0 346.475 1.596 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc2ccccc2s1 ZINC000754711258 579909896 /nfs/dbraw/zinc/90/98/96/579909896.db2.gz KVWJPDCEQKHJFL-KBPBESRZSA-N 2 0 334.489 1.555 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2CCS(=O)(=O)CC2)cc1 ZINC000756041671 579942407 /nfs/dbraw/zinc/94/24/07/579942407.db2.gz NMMYCLNTDSLYLK-UHFFFAOYSA-N 2 0 340.489 1.541 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(N(C)C(=O)[C@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000765484108 580143560 /nfs/dbraw/zinc/14/35/60/580143560.db2.gz YYTNEUOIPVZBFV-KBPBESRZSA-N 2 0 334.464 1.166 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H]2SCCS[C@H]12 ZINC000770001396 580250792 /nfs/dbraw/zinc/25/07/92/580250792.db2.gz HMKQYYNEIXXSIC-KLHDSHLOSA-N 2 0 329.579 1.982 20 0 EDADRP CC(C)(C)[C@@]1(C)NC(=O)N(CN2CCC[C@@H](n3ccnc3)C2)C1=O ZINC000773300602 580333012 /nfs/dbraw/zinc/33/30/12/580333012.db2.gz ANQRBZQWFHLSPX-DYVFJYSZSA-N 2 0 333.436 1.834 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NC1CCCCCCC1 ZINC000774574073 580366135 /nfs/dbraw/zinc/36/61/35/580366135.db2.gz MFGPPXVHRBBTIH-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000785418666 580643349 /nfs/dbraw/zinc/64/33/49/580643349.db2.gz WPYQRWSFLPAGNQ-UHFFFAOYSA-N 2 0 331.258 1.385 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000785483019 580645474 /nfs/dbraw/zinc/64/54/74/580645474.db2.gz PZNKRPIAMASYCK-UHFFFAOYSA-N 2 0 344.301 1.298 20 0 EDADRP CN(C)c1ccc(NC(=O)CC[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000790124918 580762721 /nfs/dbraw/zinc/76/27/21/580762721.db2.gz ROOZJPBJVYZZLW-UHFFFAOYSA-N 2 0 348.491 1.783 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCCOC1 ZINC000793328797 580842267 /nfs/dbraw/zinc/84/22/67/580842267.db2.gz FRAVYHINGGJGSJ-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP CON(C)C(=O)CC[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000796277455 580949845 /nfs/dbraw/zinc/94/98/45/580949845.db2.gz YOCFLKJYDDFQGN-UHFFFAOYSA-N 2 0 348.491 1.146 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn(C)cn2)[C@@H](C)C1 ZINC000893051125 590634849 /nfs/dbraw/zinc/63/48/49/590634849.db2.gz RBDZZZXXCYHMIW-GOEBONIOSA-N 2 0 337.468 1.356 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnn(C3CCC3)c2)CC1 ZINC000891833802 590645484 /nfs/dbraw/zinc/64/54/84/590645484.db2.gz MTIXHMHEFYSSAN-UHFFFAOYSA-N 2 0 333.480 1.498 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCO1 ZINC000891854045 590656580 /nfs/dbraw/zinc/65/65/80/590656580.db2.gz ABHSZTXBTJYNBZ-NXOAAHMSSA-N 2 0 338.496 1.317 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)CCCCCC[NH3+])CCCO1 ZINC000891855284 590656705 /nfs/dbraw/zinc/65/67/05/590656705.db2.gz IHQCOJAVIIWOJK-INIZCTEOSA-N 2 0 328.501 1.648 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000891881478 590667979 /nfs/dbraw/zinc/66/79/79/590667979.db2.gz GAHBSYKAQDYCDB-INIZCTEOSA-N 2 0 330.476 1.828 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@H]2CCC[NH2+]C2)c1 ZINC000891980158 590721908 /nfs/dbraw/zinc/72/19/08/590721908.db2.gz SIYLSUNJQBILKJ-WMLDXEAASA-N 2 0 332.448 1.351 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990531 590731033 /nfs/dbraw/zinc/73/10/33/590731033.db2.gz VYIVJOJLRHDRPT-HOTGVXAUSA-N 2 0 331.464 1.640 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000892020427 590753190 /nfs/dbraw/zinc/75/31/90/590753190.db2.gz XBQZUTNBQQZFGJ-OTWHNJEPSA-N 2 0 342.487 1.997 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000892043297 590768770 /nfs/dbraw/zinc/76/87/70/590768770.db2.gz VJVSNGLXCYDOAZ-GDLCADMTSA-N 2 0 344.381 1.985 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052641 590773389 /nfs/dbraw/zinc/77/33/89/590773389.db2.gz DPLDQFBINJLMGL-RDJZCZTQSA-N 2 0 330.476 1.935 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NCC3=CC[NH2+]CC3)C2)cc1 ZINC000892067231 590782091 /nfs/dbraw/zinc/78/20/91/590782091.db2.gz RJVSJAOMMSHHMD-GOSISDBHSA-N 2 0 328.460 1.788 20 0 EDADRP COCC1(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[NH2+]CC1 ZINC000892114246 590806385 /nfs/dbraw/zinc/80/63/85/590806385.db2.gz VQJXFJMYDWZRJT-KRWDZBQOSA-N 2 0 346.475 1.016 20 0 EDADRP CN(C(=O)NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000892130589 590815184 /nfs/dbraw/zinc/81/51/84/590815184.db2.gz NZWYLYCVIJYGJC-GOSISDBHSA-N 2 0 345.491 1.782 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000892176223 590845883 /nfs/dbraw/zinc/84/58/83/590845883.db2.gz QADQCDCMPGSSEI-KMFMINBZSA-N 2 0 332.448 1.479 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892187274 590855132 /nfs/dbraw/zinc/85/51/32/590855132.db2.gz KGJMOPVDCIRUFX-TVFCKZIOSA-N 2 0 328.460 1.388 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000892267128 590900008 /nfs/dbraw/zinc/90/00/08/590900008.db2.gz RVDCBXGNPNMEBU-ZBFHGGJFSA-N 2 0 329.448 1.444 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000892274530 590905867 /nfs/dbraw/zinc/90/58/67/590905867.db2.gz ORFQRIUKUWDCSZ-GDBMZVCRSA-N 2 0 329.448 1.586 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)NC[C@H]2COCC[NH2+]2)C1)C1CCCC1 ZINC000892289133 590916548 /nfs/dbraw/zinc/91/65/48/590916548.db2.gz JAHPAMZMJNMKTH-BHYGNILZSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000892294556 590920218 /nfs/dbraw/zinc/92/02/18/590920218.db2.gz KFHNCJRUZDWXOB-KBAYOESNSA-N 2 0 346.475 1.042 20 0 EDADRP [NH3+][C@H](CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000892412952 591017986 /nfs/dbraw/zinc/01/79/86/591017986.db2.gz UVCUAHQGTXMHCR-RBUKOAKNSA-N 2 0 344.503 1.978 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892563302 591074068 /nfs/dbraw/zinc/07/40/68/591074068.db2.gz VABWSTQZRZAEMU-JNSHFYNHSA-N 2 0 340.418 1.775 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC2(CCOC)CC[NH2+]CC2)CC1 ZINC000891478245 591084955 /nfs/dbraw/zinc/08/49/55/591084955.db2.gz JQYWVWVRFKDWEW-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP Cc1cc(F)ncc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000892595566 591085823 /nfs/dbraw/zinc/08/58/23/591085823.db2.gz VVLDRCHAALBKQI-UHFFFAOYSA-N 2 0 329.423 1.966 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+]2CCCC2)o1 ZINC000891475777 591086215 /nfs/dbraw/zinc/08/62/15/591086215.db2.gz HGQJATKFBOSYFI-XHSDSOJGSA-N 2 0 332.448 1.871 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891518681 591104965 /nfs/dbraw/zinc/10/49/65/591104965.db2.gz TXDJJWXVSFJLHS-HOTGVXAUSA-N 2 0 336.480 1.167 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000891546099 591118486 /nfs/dbraw/zinc/11/84/86/591118486.db2.gz PGUMFARYMJNCJA-QGZVFWFLSA-N 2 0 332.448 1.445 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC(C)(C)C2)C1 ZINC000891598408 591142997 /nfs/dbraw/zinc/14/29/97/591142997.db2.gz SQWIKUODNSPKAN-INIZCTEOSA-N 2 0 340.512 1.374 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000891623145 591154500 /nfs/dbraw/zinc/15/45/00/591154500.db2.gz MFVCEHYCNQCEIN-IRXDYDNUSA-N 2 0 338.496 1.103 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000892789879 591180139 /nfs/dbraw/zinc/18/01/39/591180139.db2.gz UXSQAVBSNZAPTL-FHWLQOOXSA-N 2 0 342.487 1.732 20 0 EDADRP COCCOc1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000892927182 591227637 /nfs/dbraw/zinc/22/76/37/591227637.db2.gz BJDPBGACGCDASF-OAHLLOKOSA-N 2 0 325.453 1.278 20 0 EDADRP C[NH+]1CC[C@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)nc2cnccc21 ZINC000895768495 591269121 /nfs/dbraw/zinc/26/91/21/591269121.db2.gz CZKZNVDSHBZORG-KBPBESRZSA-N 2 0 326.448 1.862 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)C[C@H]2C1 ZINC000896238392 591397226 /nfs/dbraw/zinc/39/72/26/591397226.db2.gz VJLQTYGTXIPPNF-SOLBZPMBSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896568955 591530927 /nfs/dbraw/zinc/53/09/27/591530927.db2.gz QJWSBIGWXQNDKZ-LPHOPBHVSA-N 2 0 344.503 1.647 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC1 ZINC000897548830 591547648 /nfs/dbraw/zinc/54/76/48/591547648.db2.gz OYKQCIORZJLENN-INIZCTEOSA-N 2 0 340.512 1.207 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)NCC2CC[NH+](C3CC3)CC2)[nH]n1 ZINC000897587280 591569576 /nfs/dbraw/zinc/56/95/76/591569576.db2.gz MCROUGGHCDQESS-QGZVFWFLSA-N 2 0 331.464 1.781 20 0 EDADRP CCO[C@H](CNC(=O)N1CC[C@@H](C[NH+](CC)CC)C1)C[NH+](C)C ZINC000896683775 591573434 /nfs/dbraw/zinc/57/34/34/591573434.db2.gz WLDAFYBXLAAZNU-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP CC(C)(C)OC(=O)N1CC(O)(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000895206459 591656426 /nfs/dbraw/zinc/65/64/26/591656426.db2.gz FELWMEFMVHOKLJ-UONOGXRCSA-N 2 0 325.453 1.185 20 0 EDADRP C[C@H]1CC2(CC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2)CO1 ZINC000897818685 591682159 /nfs/dbraw/zinc/68/21/59/591682159.db2.gz LABXYSURJMMUJW-UQPPLGOBSA-N 2 0 326.485 1.079 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000896940012 591689781 /nfs/dbraw/zinc/68/97/81/591689781.db2.gz RPEQEWXZMLXAFJ-CJNGLKHVSA-N 2 0 337.468 1.263 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000895270146 591693755 /nfs/dbraw/zinc/69/37/55/591693755.db2.gz YAEKMUQGJBELKP-GDBMZVCRSA-N 2 0 334.489 1.556 20 0 EDADRP CS(=O)(=O)C1CC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000895308179 591707077 /nfs/dbraw/zinc/70/70/77/591707077.db2.gz GUZIJANQTOWBSZ-UHFFFAOYSA-N 2 0 330.494 1.043 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CCC3(CCC3)O2)C[C@H]1C[NH+](C)C ZINC000899157115 591711252 /nfs/dbraw/zinc/71/12/52/591711252.db2.gz FFEXDGUUIGSUFY-ZACQAIPSSA-N 2 0 337.508 1.676 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2cccc(N(C)S(C)(=O)=O)c2)[C@@H](C)C1 ZINC000898285090 591853334 /nfs/dbraw/zinc/85/33/34/591853334.db2.gz SCSKZNSCADMFFJ-YOEHRIQHSA-N 2 0 339.505 1.902 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000900013390 591863748 /nfs/dbraw/zinc/86/37/48/591863748.db2.gz VRAPYRYFYGVVSV-KRWDZBQOSA-N 2 0 343.475 1.347 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000897356094 591901244 /nfs/dbraw/zinc/90/12/44/591901244.db2.gz MGSBJSVWMUUKAN-ZWKOTPCHSA-N 2 0 345.487 1.742 20 0 EDADRP COCC[C@@H]1CCN(CN2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000902196861 591942895 /nfs/dbraw/zinc/94/28/95/591942895.db2.gz TUGRYAGILRSOMD-VVLHAWIVSA-N 2 0 339.480 1.012 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900209149 591943627 /nfs/dbraw/zinc/94/36/27/591943627.db2.gz QBFLESYQIHIBLU-WWDZGPRUSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000900214571 591945402 /nfs/dbraw/zinc/94/54/02/591945402.db2.gz FHEBRACNDQCRJM-SJLPKXTDSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900335580 591987490 /nfs/dbraw/zinc/98/74/90/591987490.db2.gz YWZNVOBZTBJRTC-KPFFTGBYSA-N 2 0 345.487 1.785 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)([NH+](C)C)C1 ZINC000900319928 591989614 /nfs/dbraw/zinc/98/96/14/591989614.db2.gz AVZQJBTVJCKIIX-BPQIPLTHSA-N 2 0 325.497 1.460 20 0 EDADRP CCN1CCO[C@@H](C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)[C@@H]1c1cnn(C)c1 ZINC000902401012 591990927 /nfs/dbraw/zinc/99/09/27/591990927.db2.gz ZNMHJWJQWTXPBJ-BZSNNMDCSA-N 2 0 349.523 1.550 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000900352789 591992861 /nfs/dbraw/zinc/99/28/61/591992861.db2.gz LHOIDWZBRSQZLO-AEFFLSMTSA-N 2 0 325.497 1.604 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)CC1 ZINC000900540657 592051635 /nfs/dbraw/zinc/05/16/35/592051635.db2.gz QWGPXJMFDGSRFI-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@H]2CC[C@@H]3[C@H]4OCC[C@H]4[C@@H]32)CC1 ZINC000902767321 592059546 /nfs/dbraw/zinc/05/95/46/592059546.db2.gz DZJYDADWRKWXON-LTFXXXRZSA-N 2 0 342.487 1.737 20 0 EDADRP COc1nc(C)cc(C)c1CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807732 592063884 /nfs/dbraw/zinc/06/38/84/592063884.db2.gz OSGJFIZWEINOLJ-DZGCQCFKSA-N 2 0 334.420 1.569 20 0 EDADRP CCOC(=O)[C@@H]1CCC[N@H+](CC(=O)N2CCC(C[NH+](C)C)CC2)C1 ZINC000900687127 592094488 /nfs/dbraw/zinc/09/44/88/592094488.db2.gz QVJQACSTQLYOOW-MRXNPFEDSA-N 2 0 339.480 1.062 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCCCNc2ccccn2)CC1 ZINC000900754456 592107570 /nfs/dbraw/zinc/10/75/70/592107570.db2.gz JOKNDFCUPQUWDD-UHFFFAOYSA-N 2 0 347.507 1.806 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000903116553 592123270 /nfs/dbraw/zinc/12/32/70/592123270.db2.gz RSTIUIFEKOLFQW-WTGUMLROSA-N 3 0 335.536 1.930 20 0 EDADRP C[C@@H]([NH2+]CCN1Cc2ccccc2OCC1=O)C1CC[NH+](C)CC1 ZINC000903181171 592132086 /nfs/dbraw/zinc/13/20/86/592132086.db2.gz FYCZORRCFOLYNL-OAHLLOKOSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@H]1C[N@H+](C)CCN1C ZINC000900801534 592143214 /nfs/dbraw/zinc/14/32/14/592143214.db2.gz BLYKBNVFEOTNKS-RHSMWYFYSA-N 2 0 343.475 1.655 20 0 EDADRP C[C@@H]([NH2+]CCN1CCCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000903229288 592144067 /nfs/dbraw/zinc/14/40/67/592144067.db2.gz XLADICIOJWHSPC-QGZVFWFLSA-N 2 0 335.492 2.000 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000903233240 592145733 /nfs/dbraw/zinc/14/57/33/592145733.db2.gz GAMRQUUBFNFPTF-BPUTZDHNSA-N 2 0 331.526 1.414 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900900125 592164470 /nfs/dbraw/zinc/16/44/70/592164470.db2.gz IXLKTMVWVIPPNS-CHPDAQJUSA-N 2 0 349.519 1.963 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)C1)N1CC[NH2+]CC1 ZINC000903422296 592170505 /nfs/dbraw/zinc/17/05/05/592170505.db2.gz XLBAVMNBBKWXCW-APIJFGDWSA-N 2 0 327.419 1.422 20 0 EDADRP CO[C@H](C)c1noc(CN2CCC[N@H+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)n1 ZINC000903445706 592173097 /nfs/dbraw/zinc/17/30/97/592173097.db2.gz NKDHPYJGSHNPHQ-KFWWJZLASA-N 2 0 337.468 1.412 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000903449871 592173631 /nfs/dbraw/zinc/17/36/31/592173631.db2.gz KKOWPCAHZPBXBC-AVGNSLFASA-N 2 0 337.386 1.416 20 0 EDADRP CCOC(=O)c1ccc(N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)nc1 ZINC000903455147 592174310 /nfs/dbraw/zinc/17/43/10/592174310.db2.gz ROZYKFYUSDYUTI-ZBFHGGJFSA-N 2 0 332.448 1.508 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)C12CC[NH+](CC1)C2 ZINC000900958525 592185025 /nfs/dbraw/zinc/18/50/25/592185025.db2.gz POVYAXYQWIJGLR-UHFFFAOYSA-N 2 0 329.444 1.678 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900959095 592185332 /nfs/dbraw/zinc/18/53/32/592185332.db2.gz UVXNGVOONPFXHJ-IKJBURDNSA-N 2 0 337.508 1.866 20 0 EDADRP COCc1nc(CN2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cs1 ZINC000903493394 592185690 /nfs/dbraw/zinc/18/56/90/592185690.db2.gz RGHVFKPVQVHXHY-RWSFTLGLSA-N 2 0 325.434 1.002 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2N2CCCC2=O)C[C@H]1CC[NH3+] ZINC000903496324 592187577 /nfs/dbraw/zinc/18/75/77/592187577.db2.gz KGXVWBJQDRFPSM-HUUCEWRRSA-N 2 0 344.459 1.669 20 0 EDADRP O=C1CC[C@@H]([NH2+]C[C@@H]2CC[C@@H](C(F)(F)F)O2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903527043 592196961 /nfs/dbraw/zinc/19/69/61/592196961.db2.gz QRHRLLQURFHTJY-XFMPKHEZSA-N 2 0 349.397 1.333 20 0 EDADRP CC(=O)Nc1cccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903524885 592197760 /nfs/dbraw/zinc/19/77/60/592197760.db2.gz DFPUKWFATHTWDF-MJGOQNOKSA-N 2 0 344.459 1.381 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[N@H+](C)C1CC1 ZINC000906649776 592233913 /nfs/dbraw/zinc/23/39/13/592233913.db2.gz GZQKJBPABGWTEX-LBPRGKRZSA-N 2 0 332.448 1.418 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656206 592238291 /nfs/dbraw/zinc/23/82/91/592238291.db2.gz RKPHNZSFFVCXGM-CQSZACIVSA-N 2 0 346.475 1.619 20 0 EDADRP C[C@@H]1CN(Cc2cccc(C[NH2+]C3CCN(CC[NH3+])CC3)c2)CCO1 ZINC000904366850 592241827 /nfs/dbraw/zinc/24/18/27/592241827.db2.gz RGWYXRPSHLIBFU-QGZVFWFLSA-N 2 0 346.519 1.420 20 0 EDADRP [NH3+]CCN1CCC([NH2+]Cc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000904364260 592241908 /nfs/dbraw/zinc/24/19/08/592241908.db2.gz KFWPHXLEYBXWKR-UHFFFAOYSA-N 2 0 330.476 1.322 20 0 EDADRP [NH3+]CCN1CCC([NH2+][C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000904366488 592242329 /nfs/dbraw/zinc/24/23/29/592242329.db2.gz LZKKDBYVRNAMBM-OAHLLOKOSA-N 2 0 336.867 1.458 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2ccc(N3CC[NH2+]CC3)o2)C1 ZINC000904376958 592244993 /nfs/dbraw/zinc/24/49/93/592244993.db2.gz ZEZHJRBYBAMSGY-NXHRZFHOSA-N 2 0 348.491 1.550 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1CN(C)CC[N@H+](C)C1)CC(C)C ZINC000906673575 592254855 /nfs/dbraw/zinc/25/48/55/592254855.db2.gz LZHNSINYEWTBCE-KRWDZBQOSA-N 2 0 326.529 1.353 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H](C3CCOCC3)C2)cnn1C ZINC000904432930 592256145 /nfs/dbraw/zinc/25/61/45/592256145.db2.gz JBYOMIKEBLOJLJ-AEFFLSMTSA-N 2 0 334.508 1.985 20 0 EDADRP O=C(N1CCOCC1)C1([NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000904469661 592267841 /nfs/dbraw/zinc/26/78/41/592267841.db2.gz OUJNJPQZXSJSAW-ALOPSCKCSA-N 2 0 335.492 1.668 20 0 EDADRP COCCn1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cn1 ZINC000904474916 592269700 /nfs/dbraw/zinc/26/97/00/592269700.db2.gz MEPONRGISFBADJ-PKOBYXMFSA-N 2 0 342.443 1.875 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)c1 ZINC000906706954 592279541 /nfs/dbraw/zinc/27/95/41/592279541.db2.gz RFVIEWHWPZOLPN-HNAYVOBHSA-N 2 0 344.459 1.145 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)c1cccn1CCN1CCOCC1 ZINC000906710490 592282295 /nfs/dbraw/zinc/28/22/95/592282295.db2.gz NLALUCHALBPNGW-QGZVFWFLSA-N 2 0 348.491 1.234 20 0 EDADRP O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723325 592283851 /nfs/dbraw/zinc/28/38/51/592283851.db2.gz VGOJZQQKTTYQBA-SCTDSRPQSA-N 2 0 329.444 1.318 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726537 592285262 /nfs/dbraw/zinc/28/52/62/592285262.db2.gz MQOQKVRWARSWIS-SJLPKXTDSA-N 2 0 349.500 1.711 20 0 EDADRP Clc1ccc(N2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903731955 592288482 /nfs/dbraw/zinc/28/84/82/592288482.db2.gz BIXAJGZOEIATCW-DOTOQJQBSA-N 2 0 336.867 1.626 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N[C@H]2CC[N@@H+](CC(C)(C)O)C2)cc1 ZINC000904604325 592293459 /nfs/dbraw/zinc/29/34/59/592293459.db2.gz PSPYYFYCKBWVND-HNNXBMFYSA-N 2 0 334.464 1.847 20 0 EDADRP COc1ccccc1N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734042 592298107 /nfs/dbraw/zinc/29/81/07/592298107.db2.gz TXMYKLUKOMOYJU-QGZVFWFLSA-N 2 0 345.487 1.976 20 0 EDADRP Cc1nc(C)n([C@@H]2CCC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)n1 ZINC000903739397 592302221 /nfs/dbraw/zinc/30/22/21/592302221.db2.gz INRHNVVAQSCIFE-SJORKVTESA-N 2 0 333.480 1.691 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740066 592302392 /nfs/dbraw/zinc/30/23/92/592302392.db2.gz CKABHRPWEXUPEL-RTBURBONSA-N 3 0 337.508 1.332 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903766652 592310246 /nfs/dbraw/zinc/31/02/46/592310246.db2.gz BNZRZXODXDIBQC-OWSLCNJRSA-N 3 0 337.508 1.506 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)ccn1 ZINC000901254210 592313139 /nfs/dbraw/zinc/31/31/39/592313139.db2.gz CFASIFRMFLWBPF-IRXDYDNUSA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)([NH3+])c1noc(CN2CCC(C[NH3+])(c3ccccc3)CC2)n1 ZINC000903793351 592316120 /nfs/dbraw/zinc/31/61/20/592316120.db2.gz BCSMNRDOQBYRCC-UHFFFAOYSA-N 2 0 329.448 1.756 20 0 EDADRP COCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794480 592316708 /nfs/dbraw/zinc/31/67/08/592316708.db2.gz WTMXZGBOGOTGTE-INIZCTEOSA-N 2 0 333.476 1.520 20 0 EDADRP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@@]3(CC[NH2+]C3)CO1)CC2 ZINC000903781154 592319989 /nfs/dbraw/zinc/31/99/89/592319989.db2.gz OYNLZXTZYUBZHA-RBUKOAKNSA-N 2 0 329.444 1.772 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000903888871 592351291 /nfs/dbraw/zinc/35/12/91/592351291.db2.gz LYSRDVZDLYWGOO-IRXDYDNUSA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cnn1C ZINC000903891093 592352623 /nfs/dbraw/zinc/35/26/23/592352623.db2.gz JNZIGQRIRQPLAJ-MJGOQNOKSA-N 2 0 349.523 1.033 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@@H]2COc3ccccc3O2)cnn1C ZINC000903876688 592356696 /nfs/dbraw/zinc/35/66/96/592356696.db2.gz HLLHENVTUYHIMY-DOTOQJQBSA-N 2 0 344.459 1.618 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cnn1C ZINC000903908297 592373474 /nfs/dbraw/zinc/37/34/74/592373474.db2.gz GHJACAGJZXPSKP-MSOLQXFVSA-N 2 0 327.476 1.806 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cnn1C ZINC000903930091 592381681 /nfs/dbraw/zinc/38/16/81/592381681.db2.gz SBJXXCWJDAWNOE-AYOQOUSVSA-N 3 0 349.523 1.064 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cnn1C ZINC000903932388 592383300 /nfs/dbraw/zinc/38/33/00/592383300.db2.gz QJTLQUCJUZMQLS-JFRXWTBNSA-N 3 0 349.523 1.064 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CNc2ccc([C@@H]3C[NH2+]CCO3)cc2)cnn1C ZINC000903932697 592384690 /nfs/dbraw/zinc/38/46/90/592384690.db2.gz FLGMRXFAFAVOKS-BEFAXECRSA-N 2 0 343.475 1.619 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[C@H]1C(F)(F)F ZINC000903934754 592386580 /nfs/dbraw/zinc/38/65/80/592386580.db2.gz JXSDCSDYXAWFGO-YRGRVCCFSA-N 2 0 346.401 1.162 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903934751 592386604 /nfs/dbraw/zinc/38/66/04/592386604.db2.gz JXSDCSDYXAWFGO-BZPMIXESSA-N 2 0 346.401 1.162 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)cnn1C ZINC000903937416 592388139 /nfs/dbraw/zinc/38/81/39/592388139.db2.gz KNVUJQYNNYGTFZ-FUHWJXTLSA-N 3 0 333.524 1.748 20 0 EDADRP C[C@H](CC(=O)NCCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903956102 592395815 /nfs/dbraw/zinc/39/58/15/592395815.db2.gz GXUYTUWKCHTAHR-GDBMZVCRSA-N 2 0 339.430 1.958 20 0 EDADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000903967110 592402338 /nfs/dbraw/zinc/40/23/38/592402338.db2.gz HFVJRLCMIUHLNR-MCIONIFRSA-N 2 0 335.448 1.866 20 0 EDADRP Cn1ccc([C@@H]2CCCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000903987395 592406502 /nfs/dbraw/zinc/40/65/02/592406502.db2.gz FKSDFTWUFDVFMJ-CABCVRRESA-N 2 0 329.452 1.316 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C1 ZINC000908261655 592411565 /nfs/dbraw/zinc/41/15/65/592411565.db2.gz LODLHOJPSXBAPN-GJZGRUSLSA-N 2 0 327.469 1.106 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@H](O)CC3(O)CCCCC3)C2)CC1 ZINC000905112115 592412750 /nfs/dbraw/zinc/41/27/50/592412750.db2.gz YMECSOTYOLVPJV-SJLPKXTDSA-N 2 0 339.524 1.191 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906998805 592469685 /nfs/dbraw/zinc/46/96/85/592469685.db2.gz JBTQJYRKBDUKOP-UHFFFAOYSA-N 2 0 325.497 1.602 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000905342085 592511967 /nfs/dbraw/zinc/51/19/67/592511967.db2.gz FEPFCCWIWBGJRN-WBVHZDCISA-N 2 0 341.521 1.265 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905365619 592516316 /nfs/dbraw/zinc/51/63/16/592516316.db2.gz CDHSYTPRRGOIRW-ZWKOTPCHSA-N 2 0 334.460 1.009 20 0 EDADRP CC[C@](O)(C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)C(F)(F)F ZINC000905495924 592553674 /nfs/dbraw/zinc/55/36/74/592553674.db2.gz OAUPTNXLCTUMHS-ZSAUSMIDSA-N 2 0 338.414 1.759 20 0 EDADRP O=C(Cc1c[nH]cn1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000907288787 592585942 /nfs/dbraw/zinc/58/59/42/592585942.db2.gz WZSWLCDNOANOEO-KRWDZBQOSA-N 2 0 328.416 1.225 20 0 EDADRP CCn1c([C@@H]2CN(C)C[C@@H](C)O2)nnc1N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000908831711 592636366 /nfs/dbraw/zinc/63/63/66/592636366.db2.gz VYENWTIUUFLXGX-LDDOYCOJSA-N 2 0 348.495 1.078 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)C(=O)C12CC[NH+](CC1)C2 ZINC000907567550 592712914 /nfs/dbraw/zinc/71/29/14/592712914.db2.gz NZTJWEGNAUDTBW-DOTOQJQBSA-N 2 0 345.491 1.357 20 0 EDADRP Cc1cc(NC(=O)C2CN(C)CC[N@H+](C)C2)ccc1OCC[NH+](C)C ZINC000909924476 592721717 /nfs/dbraw/zinc/72/17/17/592721717.db2.gz ZBYNNVHLPIPBMQ-UHFFFAOYSA-N 2 0 348.491 1.367 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906217806 592759824 /nfs/dbraw/zinc/75/98/24/592759824.db2.gz WQRCMEWSXMRSKF-HZPDHXFCSA-N 2 0 333.480 1.151 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906224171 592761734 /nfs/dbraw/zinc/76/17/34/592761734.db2.gz YYZKWKCFPKDHRV-UHFFFAOYSA-N 2 0 339.443 1.400 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000906257790 592775254 /nfs/dbraw/zinc/77/52/54/592775254.db2.gz MIEOXENWWBTHIF-UHFFFAOYSA-N 2 0 346.519 1.638 20 0 EDADRP CCOc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000906518348 592838905 /nfs/dbraw/zinc/83/89/05/592838905.db2.gz XAKWTQLWKLHFAE-QEJZJMRPSA-N 2 0 335.448 1.520 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000911666409 592973922 /nfs/dbraw/zinc/97/39/22/592973922.db2.gz YEZOFPYHDGYWRD-GARXJVFOSA-N 2 0 331.460 1.980 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@]12C[C@H]1CCC[NH2+]2 ZINC000911743904 592994902 /nfs/dbraw/zinc/99/49/02/592994902.db2.gz DLHITGBWEIYYKV-OGWOLHLISA-N 2 0 343.427 1.676 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911743955 592995153 /nfs/dbraw/zinc/99/51/53/592995153.db2.gz FENUZNDQKHHFIJ-QOKNQOGYSA-N 2 0 343.427 1.534 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC000911765384 593000229 /nfs/dbraw/zinc/00/02/29/593000229.db2.gz TYTYELHHGXUUQM-AOIWGVFYSA-N 2 0 331.460 1.552 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCN(C)CC1 ZINC000911891805 593031795 /nfs/dbraw/zinc/03/17/95/593031795.db2.gz NOFKRADUCSGTPI-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP C[N@H+](CCCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736798133 593038190 /nfs/dbraw/zinc/03/81/90/593038190.db2.gz QJNBHGNAHBGXDA-HNNXBMFYSA-N 2 0 344.463 1.909 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)CCCCC1 ZINC000912014738 593052085 /nfs/dbraw/zinc/05/20/85/593052085.db2.gz NSGUFBPGJFKDOP-ZACQAIPSSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000838851665 593225190 /nfs/dbraw/zinc/22/51/90/593225190.db2.gz KJLSJMAWEWACTM-MRXNPFEDSA-N 2 0 325.497 1.173 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000810466982 593403986 /nfs/dbraw/zinc/40/39/86/593403986.db2.gz ZHUBSUOWBRKDDH-ULQDDVLXSA-N 2 0 325.497 1.676 20 0 EDADRP O=C1N(CN2CC[C@H](C[NH+]3CCCC3)C2)[C@@H]([C@H]2CCCO2)C12CCC2 ZINC000811749038 593478395 /nfs/dbraw/zinc/47/83/95/593478395.db2.gz QSVIQUSNXAPULG-KURKYZTESA-N 2 0 347.503 1.922 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NCc1cccnc1-n1ccnc1 ZINC000817152513 593577078 /nfs/dbraw/zinc/57/70/78/593577078.db2.gz FJBOBRCECAITOB-HNNXBMFYSA-N 2 0 328.420 1.503 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000817892041 593645655 /nfs/dbraw/zinc/64/56/55/593645655.db2.gz JDJGSWLZBLFICJ-DOTOQJQBSA-N 2 0 334.460 1.939 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CCO)Cc2ccccc2)CC[NH2+]CC1 ZINC000817927969 593649512 /nfs/dbraw/zinc/64/95/12/593649512.db2.gz OWYZZUHEMPGMKY-AEFFLSMTSA-N 2 0 348.487 1.891 20 0 EDADRP CC(C)(C)OC(=O)N1CCC([C@H](O)C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167759 593676842 /nfs/dbraw/zinc/67/68/42/593676842.db2.gz VGIABAKQPZRPBW-HRCADAONSA-N 2 0 339.480 1.146 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000819022102 593734316 /nfs/dbraw/zinc/73/43/16/593734316.db2.gz BEWPOBQGJCXZCR-UHFFFAOYSA-N 2 0 344.569 1.491 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)c1c(F)cccc1F)N1CC[NH+](C)CC1 ZINC000819061709 593736561 /nfs/dbraw/zinc/73/65/61/593736561.db2.gz MRESWSBLSLWBDQ-DLBZAZTESA-N 2 0 341.446 1.860 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C[C@H](O)c1ccc(Br)cc1 ZINC000819211009 593744465 /nfs/dbraw/zinc/74/44/65/593744465.db2.gz PKLBASHLDHPBQF-AWEZNQCLSA-N 2 0 331.254 1.650 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)c2ccccc2Cl)CC1 ZINC000819389173 593753182 /nfs/dbraw/zinc/75/31/82/593753182.db2.gz KBQBUICJYKNPNT-KRWDZBQOSA-N 2 0 325.884 1.989 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)N1CC[NH+](C)CC1 ZINC000820810399 593894982 /nfs/dbraw/zinc/89/49/82/593894982.db2.gz WGPOEQBTYQGDHL-QWFCFKBJSA-N 2 0 330.520 1.875 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000822192070 594006368 /nfs/dbraw/zinc/00/63/68/594006368.db2.gz YAVPQJXFZJDGJK-ZIAGYGMSSA-N 2 0 327.436 1.799 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(-c2nn[nH]n2)cc1 ZINC000824590307 594043681 /nfs/dbraw/zinc/04/36/81/594043681.db2.gz BGEFZWISKXLXHX-CQSZACIVSA-N 2 0 343.479 1.543 20 0 EDADRP C[C@H]([NH2+]CCN1CCC(O)CC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000825111556 594131406 /nfs/dbraw/zinc/13/14/06/594131406.db2.gz OJWPWDVSCXUGHB-FXAWDEMLSA-N 2 0 347.503 1.322 20 0 EDADRP CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]([NH3+])c1ccccc1 ZINC000827936847 594306804 /nfs/dbraw/zinc/30/68/04/594306804.db2.gz WVBQVAHRDOWAPU-BBWFWOEESA-N 2 0 331.460 1.692 20 0 EDADRP [NH3+]CCCCCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000830678589 594455128 /nfs/dbraw/zinc/45/51/28/594455128.db2.gz MPHAHLAZESEESU-UHFFFAOYSA-N 2 0 333.476 1.779 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000829598772 594647612 /nfs/dbraw/zinc/64/76/12/594647612.db2.gz FJEWBKMQPDCPEK-UHFFFAOYSA-N 2 0 349.523 1.885 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@]1(F)CC[NH2+]C1 ZINC000832054565 594722498 /nfs/dbraw/zinc/72/24/98/594722498.db2.gz ORPZKNOMKJBFHN-WMZOPIPTSA-N 2 0 335.423 1.095 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC([C@H](O)c3ccccc3)CC2)C1 ZINC000841004569 594837613 /nfs/dbraw/zinc/83/76/13/594837613.db2.gz LRBMPFHDAIIXSY-OXJNMPFZSA-N 2 0 345.487 1.629 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000841018104 594840028 /nfs/dbraw/zinc/84/00/28/594840028.db2.gz PGAHEHVPPLBONC-INIZCTEOSA-N 2 0 345.491 1.950 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841930928 594984231 /nfs/dbraw/zinc/98/42/31/594984231.db2.gz FEYLKOBEYHCFPG-YJBOKZPZSA-N 2 0 330.476 1.956 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@@]4(C)CC[NH2+]C4)n3)cn2)CC1 ZINC000843209275 595036386 /nfs/dbraw/zinc/03/63/86/595036386.db2.gz ZXXJAKVTYBVVGL-SFHVURJKSA-N 2 0 342.447 1.525 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843261513 595056641 /nfs/dbraw/zinc/05/66/41/595056641.db2.gz LFXDNPUNOMIXMZ-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP C[N@H+](CC(=O)NCc1cnn(-c2ccccc2)c1)C1CCC([NH3+])CC1 ZINC000843354954 595085113 /nfs/dbraw/zinc/08/51/13/595085113.db2.gz GOXAWGNQUPPQOV-UHFFFAOYSA-N 2 0 341.459 1.690 20 0 EDADRP CN(CCOc1ccccc1F)C(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843354706 595085527 /nfs/dbraw/zinc/08/55/27/595085527.db2.gz DFWBCEMBXDGYMZ-UHFFFAOYSA-N 2 0 337.439 1.865 20 0 EDADRP C[N@H+](CC(=O)NCCCOc1ccccc1F)C1CCC([NH3+])CC1 ZINC000843355437 595085796 /nfs/dbraw/zinc/08/57/96/595085796.db2.gz OOWVJTQKYGYMRQ-UHFFFAOYSA-N 2 0 337.439 1.913 20 0 EDADRP CC(=O)Nc1ccc2c(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)cc(=O)oc2c1 ZINC000843362290 595087861 /nfs/dbraw/zinc/08/78/61/595087861.db2.gz BZIYWHUSTMNZPB-YPMHNXCESA-N 2 0 329.400 1.921 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000843496038 595130729 /nfs/dbraw/zinc/13/07/29/595130729.db2.gz SYTHZVSENLJNPK-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000842671783 595166636 /nfs/dbraw/zinc/16/66/36/595166636.db2.gz VBSDYJYQXBIDLK-UHFFFAOYSA-N 2 0 328.464 1.385 20 0 EDADRP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CCCCCC[NH3+])CC2)C1 ZINC000846221011 595177567 /nfs/dbraw/zinc/17/75/67/595177567.db2.gz FVVJDYPGAOISBE-QZTJIDSGSA-N 2 0 338.540 1.818 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)COC3)C1)N1CC[NH2+]CC1 ZINC000843047553 595273208 /nfs/dbraw/zinc/27/32/08/595273208.db2.gz VXIBUSMMAOEFFU-MRXNPFEDSA-N 2 0 329.444 1.361 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000844165363 595288530 /nfs/dbraw/zinc/28/85/30/595288530.db2.gz DFKPKSSNSBRPEC-QZTJIDSGSA-N 2 0 331.460 1.708 20 0 EDADRP CC[C@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000844172194 595290983 /nfs/dbraw/zinc/29/09/83/595290983.db2.gz QYAWQLCJJIGJQF-RTBURBONSA-N 2 0 345.487 1.708 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844175143 595292289 /nfs/dbraw/zinc/29/22/89/595292289.db2.gz BEAGJSVOEBBUBK-KBAYOESNSA-N 2 0 331.460 1.707 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)c2ccccc2O1 ZINC000844188816 595297429 /nfs/dbraw/zinc/29/74/29/595297429.db2.gz CZOJKJNSCSQBJY-HUUCEWRRSA-N 2 0 333.432 1.111 20 0 EDADRP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000846936309 595339890 /nfs/dbraw/zinc/33/98/90/595339890.db2.gz HBDVIPNUTXWNIJ-UHFFFAOYSA-N 2 0 326.481 1.745 20 0 EDADRP [NH2+]=C(NC[C@@]1(O)CCSC1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849090871 595480352 /nfs/dbraw/zinc/48/03/52/595480352.db2.gz NTKNKAIYIZSOOX-SFHVURJKSA-N 2 0 348.516 1.633 20 0 EDADRP CCN(C)C(=O)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849092433 595480392 /nfs/dbraw/zinc/48/03/92/595480392.db2.gz FTJCFMCQRAZAGS-UHFFFAOYSA-N 2 0 331.464 1.243 20 0 EDADRP CCOCCCNC(=[NH2+])NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000849101513 595481599 /nfs/dbraw/zinc/48/15/99/595481599.db2.gz GFEOURPEQHQTRW-UHFFFAOYSA-N 2 0 340.512 1.951 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000852796668 595547193 /nfs/dbraw/zinc/54/71/93/595547193.db2.gz RSSCOFKISJVALW-KRWDZBQOSA-N 2 0 343.427 1.844 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849509896 595554689 /nfs/dbraw/zinc/55/46/89/595554689.db2.gz GIDCOTZGVBYTHT-BPQIPLTHSA-N 2 0 347.507 1.302 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849508984 595554772 /nfs/dbraw/zinc/55/47/72/595554772.db2.gz KMZLHKSVACKLFX-ZWKOTPCHSA-N 2 0 347.507 1.304 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000849571403 595574794 /nfs/dbraw/zinc/57/47/94/595574794.db2.gz IMUGVZKWIGQBSW-WTTBNOFXSA-N 2 0 333.480 1.006 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N(C)CCC[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849574750 595577978 /nfs/dbraw/zinc/57/79/78/595577978.db2.gz HWRBBLJBKQBIIP-QZTJIDSGSA-N 2 0 349.523 1.644 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597099 595586775 /nfs/dbraw/zinc/58/67/75/595586775.db2.gz RAGDADVKLSHTQP-HYVNUMGLSA-N 2 0 335.496 1.300 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849602695 595590723 /nfs/dbraw/zinc/59/07/23/595590723.db2.gz PYYHIGHMVRRVSB-KSZLIROESA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C=C1CC[NH2+]CC1 ZINC000852873356 595592336 /nfs/dbraw/zinc/59/23/36/595592336.db2.gz TTXPIESTISIUAC-KRWDZBQOSA-N 2 0 342.487 1.623 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849613613 595596756 /nfs/dbraw/zinc/59/67/56/595596756.db2.gz UKTGIIIDEXRWFE-KURKYZTESA-N 2 0 347.507 1.444 20 0 EDADRP C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000853465220 595758349 /nfs/dbraw/zinc/75/83/49/595758349.db2.gz CWPQVIFRGVHYHL-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466132 595759346 /nfs/dbraw/zinc/75/93/46/595759346.db2.gz SUIBTULIINXPJC-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000853683615 595854596 /nfs/dbraw/zinc/85/45/96/595854596.db2.gz UVYGZLIAFNNEGY-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000853823310 595892692 /nfs/dbraw/zinc/89/26/92/595892692.db2.gz UYCPYRVYISQWSE-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000854232404 596009486 /nfs/dbraw/zinc/00/94/86/596009486.db2.gz OMWWTOAMYGLIRV-UWVGGRQHSA-N 2 0 344.362 1.098 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000854232403 596010077 /nfs/dbraw/zinc/01/00/77/596010077.db2.gz OMWWTOAMYGLIRV-NXEZZACHSA-N 2 0 344.362 1.098 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCNC(C)=O)C2)ccn1 ZINC000856585999 596023591 /nfs/dbraw/zinc/02/35/91/596023591.db2.gz ONTLINRTIRBSOS-SFHVURJKSA-N 2 0 334.464 1.513 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000861555492 596028499 /nfs/dbraw/zinc/02/84/99/596028499.db2.gz OAONATIXOKHORE-FUHWJXTLSA-N 2 0 347.507 1.354 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000861702425 596073118 /nfs/dbraw/zinc/07/31/18/596073118.db2.gz NVKQWTTUUAJBMB-WDYCEAGBSA-N 2 0 346.475 1.015 20 0 EDADRP CC(=O)N1CC[C@H](NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c2ccccc21 ZINC000857075696 596152800 /nfs/dbraw/zinc/15/28/00/596152800.db2.gz GGTIPJXWPVWWMI-BQFCYCMXSA-N 2 0 329.444 1.937 20 0 EDADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)c1 ZINC000866709212 596302767 /nfs/dbraw/zinc/30/27/67/596302767.db2.gz IZVKKTUXQICNBW-JQHSSLGASA-N 2 0 329.444 1.979 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21)c1ccccc1 ZINC000866723541 596310240 /nfs/dbraw/zinc/31/02/40/596310240.db2.gz FJGHOUUVNIQIRQ-RCCFBDPRSA-N 2 0 330.476 1.232 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)CCC23CC(C2)C[NH2+]3)c1 ZINC000870868990 596384300 /nfs/dbraw/zinc/38/43/00/596384300.db2.gz XNOSSHCXTAYKBN-UHFFFAOYSA-N 2 0 331.460 1.775 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000870933926 596411488 /nfs/dbraw/zinc/41/14/88/596411488.db2.gz ATTXEARNOXPYTO-WXRRBKDZSA-N 2 0 326.238 1.835 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC2(CC[NH2+]2)CC1)c1cccc(Br)c1 ZINC000870947657 596415486 /nfs/dbraw/zinc/41/54/86/596415486.db2.gz GXRRLNGRKPDSCB-CYBMUJFWSA-N 2 0 338.249 1.803 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000870948115 596415734 /nfs/dbraw/zinc/41/57/34/596415734.db2.gz NAFUSDKFTWOGNC-SQGPQFPESA-N 3 0 342.487 1.224 20 0 EDADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1)c1cccc(Br)c1 ZINC000870959275 596418519 /nfs/dbraw/zinc/41/85/19/596418519.db2.gz BAHHMMWLHCPJAL-OSAQELSMSA-N 2 0 338.249 1.789 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)OCCC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000867590727 596449200 /nfs/dbraw/zinc/44/92/00/596449200.db2.gz SUQJNFJQMPEZFF-VXGBXAGGSA-N 2 0 325.375 1.747 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C2)CC1 ZINC000120404746 596495958 /nfs/dbraw/zinc/49/59/58/596495958.db2.gz XCMIGESUJUFMFJ-GASCZTMLSA-N 2 0 326.485 1.221 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1CCCCN1C(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000871466961 596593135 /nfs/dbraw/zinc/59/31/35/596593135.db2.gz AZGVGSAHQBKTNG-JYJNAYRXSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000863546222 596613741 /nfs/dbraw/zinc/61/37/41/596613741.db2.gz KBEFXHXHXQODEW-LLVKDONJSA-N 2 0 336.404 1.699 20 0 EDADRP O=C(/C=C\c1ccccc1)NCCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863556499 596617666 /nfs/dbraw/zinc/61/76/66/596617666.db2.gz FJGMBDJUXUKGNI-HJCTWCACSA-N 2 0 331.460 1.252 20 0 EDADRP [NH3+][C@H](C(=O)NCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867967107 596637783 /nfs/dbraw/zinc/63/77/83/596637783.db2.gz XKSDLHJOFPBHBP-ZDUSSCGKSA-N 2 0 326.238 1.565 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2scnc2C2CC2)CC1 ZINC000863643682 596641401 /nfs/dbraw/zinc/64/14/01/596641401.db2.gz SESCMKOCKNZLRZ-UONOGXRCSA-N 2 0 348.472 1.778 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CS(N)(=O)=O ZINC000865814365 596693971 /nfs/dbraw/zinc/69/39/71/596693971.db2.gz SGHPFAJINBAUNZ-UHFFFAOYSA-N 2 0 331.526 1.688 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnc(C3CC3)nc2)C[C@H]1C[NH+](C)C ZINC000870018395 596710096 /nfs/dbraw/zinc/71/00/96/596710096.db2.gz ZLWGCVSABIQHLT-HZPDHXFCSA-N 2 0 331.464 1.165 20 0 EDADRP C[C@@H](OCc1ccncc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017860 596710143 /nfs/dbraw/zinc/71/01/43/596710143.db2.gz SRNPOWLYQIDQRG-KBAYOESNSA-N 2 0 348.491 1.185 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(Cl)cn2)C[C@H]1C[NH+](C)C ZINC000870018352 596710349 /nfs/dbraw/zinc/71/03/49/596710349.db2.gz OSWXSIVMINGPTP-ZIAGYGMSSA-N 2 0 338.883 1.475 20 0 EDADRP CCOc1nc(C)ccc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019926 596711417 /nfs/dbraw/zinc/71/14/17/596711417.db2.gz WARXPQLUSFQVRO-HZPDHXFCSA-N 2 0 348.491 1.600 20 0 EDADRP C[C@H]1CCC[C@H](OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870021704 596712565 /nfs/dbraw/zinc/71/25/65/596712565.db2.gz IYAGZGFZWJORJS-MLHJIOFPSA-N 2 0 339.524 1.780 20 0 EDADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000870023479 596713080 /nfs/dbraw/zinc/71/30/80/596713080.db2.gz ZXFRBFJZOWYRRY-IGKNDFSCSA-N 3 0 338.540 1.446 20 0 EDADRP CC(C)c1nn(C)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870023203 596713084 /nfs/dbraw/zinc/71/30/84/596713084.db2.gz NUKABTGRLBGXKA-HUUCEWRRSA-N 2 0 335.496 1.355 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868179736 596713220 /nfs/dbraw/zinc/71/32/20/596713220.db2.gz ZTQDVXZBSVIRAZ-YESZJQIVSA-N 2 0 334.464 1.716 20 0 EDADRP CC[NH+]1CCC(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868228864 596736149 /nfs/dbraw/zinc/73/61/49/596736149.db2.gz IKYQBUBLFLXAEQ-DLBZAZTESA-N 2 0 344.459 1.288 20 0 EDADRP COc1c(C)nc(C2CC2)nc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010184 596756955 /nfs/dbraw/zinc/75/69/55/596756955.db2.gz GZTHXMDEIPGWMX-HZPDHXFCSA-N 2 0 347.507 1.847 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccnc3cc(F)cnc32)C[C@H]1C[NH+](C)C ZINC000866012249 596757438 /nfs/dbraw/zinc/75/74/38/596757438.db2.gz VXKBEJMEIDOPJJ-ZIAGYGMSSA-N 2 0 331.439 1.945 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccc3nnc(C4CC4)n3n2)C[C@H]1C[NH+](C)C ZINC000866012782 596758080 /nfs/dbraw/zinc/75/80/80/596758080.db2.gz QHMHFAGXBXRRQX-HUUCEWRRSA-N 2 0 343.479 1.177 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868310074 596783163 /nfs/dbraw/zinc/78/31/63/596783163.db2.gz QWUMDUZHDUENBJ-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2Cc3ccccc3C3(CC[NH+](C)CC3)C2)C1 ZINC000870183075 596788816 /nfs/dbraw/zinc/78/88/16/596788816.db2.gz RHAYJYKTKSUDFY-KRWDZBQOSA-N 2 0 327.472 1.944 20 0 EDADRP CC(C)(C)S(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000872144081 596808798 /nfs/dbraw/zinc/80/87/98/596808798.db2.gz BQGJIIVXYFYASG-XHSDSOJGSA-N 2 0 346.537 1.808 20 0 EDADRP CC1(C)CO[C@@H](C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144695 596810257 /nfs/dbraw/zinc/81/02/57/596810257.db2.gz DQFMGUAJLAHAMN-JKSUJKDBSA-N 2 0 347.507 1.814 20 0 EDADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872157025 596815905 /nfs/dbraw/zinc/81/59/05/596815905.db2.gz MZSUDBFNBIXRFL-GOEBONIOSA-N 2 0 339.480 1.285 20 0 EDADRP CC(C)[NH+](C)C[C@H](C)NC(=O)C(F)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000868422747 596831781 /nfs/dbraw/zinc/83/17/81/596831781.db2.gz BWNLREXMQYNVRN-KBPBESRZSA-N 2 0 346.491 1.014 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000872302102 596874127 /nfs/dbraw/zinc/87/41/27/596874127.db2.gz OMYNJZYCQCZCII-ZACQAIPSSA-N 2 0 325.497 1.853 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c2nccn21 ZINC000875644508 596931318 /nfs/dbraw/zinc/93/13/18/596931318.db2.gz GFHLZBSBZMILMT-KLHDSHLOSA-N 2 0 348.495 1.270 20 0 EDADRP CC(C)n1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000875704506 596953360 /nfs/dbraw/zinc/95/33/60/596953360.db2.gz FFVBAGOZZHBSRZ-HUUCEWRRSA-N 2 0 336.484 1.667 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)C[NH+]1CCCC1 ZINC000874246243 596984756 /nfs/dbraw/zinc/98/47/56/596984756.db2.gz CLQKKQWGNWSMDW-UHFFFAOYSA-N 2 0 325.403 1.951 20 0 EDADRP COC(=O)[C@H]1CC(=O)N(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000872743622 597055227 /nfs/dbraw/zinc/05/52/27/597055227.db2.gz GKRAARJYVYSOBB-INIZCTEOSA-N 2 0 339.480 1.265 20 0 EDADRP COCCC1(NC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000874433429 597076672 /nfs/dbraw/zinc/07/66/72/597076672.db2.gz YERQDKUVAFFUHX-UHFFFAOYSA-N 2 0 340.512 1.709 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CN1C1CC1 ZINC000873247067 597238879 /nfs/dbraw/zinc/23/88/79/597238879.db2.gz HSYXOQXBTZQLMT-UKRRQHHQSA-N 2 0 326.448 1.441 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NCC[NH+]1CCC(C)CC1 ZINC000875072518 597270613 /nfs/dbraw/zinc/27/06/13/597270613.db2.gz WYVNPFLJPYCSSX-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@@H](C)Cn2ccnc2)CC1 ZINC000875090469 597277491 /nfs/dbraw/zinc/27/74/91/597277491.db2.gz NQBGTMAJZSEFIK-HNNXBMFYSA-N 2 0 349.479 1.015 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000876718969 597303639 /nfs/dbraw/zinc/30/36/39/597303639.db2.gz ACQJCSUAJUIJAW-QZTJIDSGSA-N 2 0 347.459 1.455 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876735894 597313204 /nfs/dbraw/zinc/31/32/04/597313204.db2.gz RJPNRAGEYQIBSH-BZSNNMDCSA-N 2 0 333.451 1.962 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876747180 597319677 /nfs/dbraw/zinc/31/96/77/597319677.db2.gz XQIDFPGYUXXOOB-LNMLPRMJSA-N 2 0 348.535 1.559 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)c1 ZINC000876755776 597323737 /nfs/dbraw/zinc/32/37/37/597323737.db2.gz WPFFAYOEYKUDSB-QAPCUYQASA-N 2 0 330.432 1.271 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@H](C)C1 ZINC000876765216 597329245 /nfs/dbraw/zinc/32/92/45/597329245.db2.gz QIFOFTPYIAISMF-FXUDXRNXSA-N 2 0 325.497 1.613 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876779547 597337564 /nfs/dbraw/zinc/33/75/64/597337564.db2.gz IXGNOASQPKLAQL-SFHVURJKSA-N 2 0 332.448 1.146 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@H](F)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000876782332 597338395 /nfs/dbraw/zinc/33/83/95/597338395.db2.gz PAYSRYPYXNZNGW-WMLDXEAASA-N 2 0 334.439 1.715 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000876786128 597340133 /nfs/dbraw/zinc/34/01/33/597340133.db2.gz KALUMQIOMOHUSA-BBWFWOEESA-N 2 0 345.491 1.720 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@H]2[NH2+]CCc3ccccc32)c1 ZINC000876845398 597356764 /nfs/dbraw/zinc/35/67/64/597356764.db2.gz CKNXNAWRABMXEB-QZTJIDSGSA-N 2 0 325.412 1.698 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H](N)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000876901778 597378005 /nfs/dbraw/zinc/37/80/05/597378005.db2.gz HBFGTKNAGZYNJB-NXHRZFHOSA-N 2 0 332.492 1.292 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875315013 597380699 /nfs/dbraw/zinc/38/06/99/597380699.db2.gz RBDRLAFUEQWVDC-HNNXBMFYSA-N 2 0 326.485 1.005 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)C(C)C ZINC000875334025 597388585 /nfs/dbraw/zinc/38/85/85/597388585.db2.gz WUEQJXDNFLXOMP-INIZCTEOSA-N 2 0 342.528 1.640 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000876946357 597392654 /nfs/dbraw/zinc/39/26/54/597392654.db2.gz KCFOLWMDWDFEGO-DAYGRLMNSA-N 2 0 331.464 1.317 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)[C@@H](N)CC[NH+](C)C ZINC000877030922 597416860 /nfs/dbraw/zinc/41/68/60/597416860.db2.gz NSOOAHHEOHZRQS-SOLBZPMBSA-N 2 0 330.476 1.408 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000877138075 597440165 /nfs/dbraw/zinc/44/01/65/597440165.db2.gz NOEXHQCTRMDMJY-QLFBSQMISA-N 2 0 326.404 1.270 20 0 EDADRP Cc1cnccc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875513099 597460167 /nfs/dbraw/zinc/46/01/67/597460167.db2.gz RQKCJVJNJVCPRS-IAGOWNOFSA-N 2 0 333.480 1.271 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000877231569 597470562 /nfs/dbraw/zinc/47/05/62/597470562.db2.gz OIBMEPNZCFUCPD-IAGOWNOFSA-N 2 0 333.476 1.685 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000877247634 597478406 /nfs/dbraw/zinc/47/84/06/597478406.db2.gz SJGHOJPOVOKHHT-NLWGTHIKSA-N 2 0 345.487 1.924 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)CC[C@@H]21 ZINC000877250980 597479954 /nfs/dbraw/zinc/47/99/54/597479954.db2.gz VJDNMMMDNRIUIF-WMZOPIPTSA-N 2 0 327.472 1.860 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877281578 597485980 /nfs/dbraw/zinc/48/59/80/597485980.db2.gz IQGAJNUPUDNKCH-RTBURBONSA-N 2 0 342.487 1.552 20 0 EDADRP C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877475680 597522307 /nfs/dbraw/zinc/52/23/07/597522307.db2.gz MAMXWKCEFQYZBB-ZDUSSCGKSA-N 2 0 329.485 1.725 20 0 EDADRP CCOC(=O)N1CCC(C)(CN(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000877527261 597531280 /nfs/dbraw/zinc/53/12/80/597531280.db2.gz YASGXYFHWPJGRO-UHFFFAOYSA-N 2 0 342.528 1.670 20 0 EDADRP CN1CC[NH+](C2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)CC1 ZINC000877747047 597552753 /nfs/dbraw/zinc/55/27/53/597552753.db2.gz UDRYBJMDEJQCOW-UHFFFAOYSA-N 2 0 340.475 1.479 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccc(O)c2)CC2CC2)CC1 ZINC000878103015 597578618 /nfs/dbraw/zinc/57/86/18/597578618.db2.gz GOIHFBVLRCQXJV-UHFFFAOYSA-N 2 0 331.460 1.815 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc3c(c2)CCO3)C[C@H]1C[NH+](C)C ZINC000878204393 597586636 /nfs/dbraw/zinc/58/66/36/597586636.db2.gz OQPVUAKYYCBUBQ-HZPDHXFCSA-N 2 0 346.475 1.825 20 0 EDADRP COc1cc(C)c([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C)CC2)cc1OC ZINC000878350553 597597300 /nfs/dbraw/zinc/59/73/00/597597300.db2.gz KXVXMHZRJJQFFK-AWEZNQCLSA-N 2 0 349.475 1.873 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[C@H]1CCSC1 ZINC000881473863 597631188 /nfs/dbraw/zinc/63/11/88/597631188.db2.gz BHQOAWCRFIQVLH-HOTGVXAUSA-N 2 0 341.521 1.183 20 0 EDADRP C[NH+]1CC[C@@H]2CN(C/C=C/CN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879577943 597641216 /nfs/dbraw/zinc/64/12/16/597641216.db2.gz OREFNVBZFSWAOG-JGLMUCMASA-N 2 0 332.536 1.595 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)Cc3ccc(F)cc3)CC2)CC1 ZINC000879594687 597650119 /nfs/dbraw/zinc/65/01/19/597650119.db2.gz QQGXOOIWGJMRPE-IBGZPJMESA-N 2 0 335.467 1.441 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000879674078 597682342 /nfs/dbraw/zinc/68/23/42/597682342.db2.gz YDVDIWGVVLHHOZ-UHFFFAOYSA-N 2 0 348.495 1.784 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H]1CC[NH+](CCc2ccccc2)C1 ZINC000883323039 597714055 /nfs/dbraw/zinc/71/40/55/597714055.db2.gz DLOXEEKPCMYOKN-MOPGFXCFSA-N 2 0 344.503 1.944 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826051 597725843 /nfs/dbraw/zinc/72/58/43/597725843.db2.gz PANKDFRIRNCLRC-QLFBSQMISA-N 2 0 343.512 1.969 20 0 EDADRP C[C@]12CN(CCN3CCNC3=O)C[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000880022560 597813205 /nfs/dbraw/zinc/81/32/05/597813205.db2.gz STRYLBGTCLRBII-PKOBYXMFSA-N 2 0 328.460 1.466 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883585662 597813614 /nfs/dbraw/zinc/81/36/14/597813614.db2.gz URZUVVKSCQVMGG-RVKKMQEKSA-N 2 0 343.475 1.830 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CC[NH2+]CC1 ZINC000883586138 597814299 /nfs/dbraw/zinc/81/42/99/597814299.db2.gz FXKYNXBGDGJBNU-QGZVFWFLSA-N 2 0 329.448 1.408 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000883586601 597815483 /nfs/dbraw/zinc/81/54/83/597815483.db2.gz OLZQURIXJGFBGC-SJLPKXTDSA-N 2 0 343.475 1.797 20 0 EDADRP CC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000879165671 597837528 /nfs/dbraw/zinc/83/75/28/597837528.db2.gz KLUWQAPTQHLZFM-HZPDHXFCSA-N 2 0 347.463 1.487 20 0 EDADRP CCn1ncc(C)c1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000880101641 597841965 /nfs/dbraw/zinc/84/19/65/597841965.db2.gz MWNLJPPGZSNMAL-HUUCEWRRSA-N 2 0 336.484 1.415 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)COC[C@@H]1CCCO1)CC2 ZINC000879248440 597864193 /nfs/dbraw/zinc/86/41/93/597864193.db2.gz ONUKESSULNUPPZ-SJORKVTESA-N 2 0 326.481 1.351 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879249712 597864701 /nfs/dbraw/zinc/86/47/01/597864701.db2.gz ZGRDPRCZBBOMBA-AWEZNQCLSA-N 2 0 338.496 1.807 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+]C(C)(C)[C@@H]2CCCCO2)CC1 ZINC000879410551 597910268 /nfs/dbraw/zinc/91/02/68/597910268.db2.gz WUIFRLUXQGZDBR-INIZCTEOSA-N 2 0 325.497 1.913 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]([NH3+])CC2CC2)cc1 ZINC000884175691 598014668 /nfs/dbraw/zinc/01/46/68/598014668.db2.gz COTVWFKYQYZZPT-QGZVFWFLSA-N 2 0 346.475 1.824 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000884199598 598025384 /nfs/dbraw/zinc/02/53/84/598025384.db2.gz DWVSIKJDAOKVMN-INIZCTEOSA-N 2 0 326.529 1.386 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884212615 598031055 /nfs/dbraw/zinc/03/10/55/598031055.db2.gz JJPAFFICUSJECL-DOTOQJQBSA-N 2 0 326.444 1.638 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000884308605 598061179 /nfs/dbraw/zinc/06/11/79/598061179.db2.gz XKIPAKYJJQPZTF-OAHLLOKOSA-N 2 0 327.856 1.594 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000884340175 598075268 /nfs/dbraw/zinc/07/52/68/598075268.db2.gz FAKHSEVGLBUXIL-OAGGEKHMSA-N 2 0 325.497 1.741 20 0 EDADRP CCC[C@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])C(C)C)CC[N@@H+]1CCOC ZINC000884378321 598085979 /nfs/dbraw/zinc/08/59/79/598085979.db2.gz OWDVTGAQFHBEKQ-HOTGVXAUSA-N 2 0 327.513 1.955 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884435090 598104155 /nfs/dbraw/zinc/10/41/55/598104155.db2.gz KFFXSOQIWUPIDD-CYBMUJFWSA-N 2 0 344.253 1.143 20 0 EDADRP COc1ccccc1[C@H](O)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000884463027 598111907 /nfs/dbraw/zinc/11/19/07/598111907.db2.gz VTWUFNTWMJNCCK-KRWDZBQOSA-N 2 0 342.399 1.172 20 0 EDADRP CCC1([NH3+])CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000884488358 598118588 /nfs/dbraw/zinc/11/85/88/598118588.db2.gz UHQZCMAWJSCQEJ-AWEZNQCLSA-N 2 0 340.512 1.199 20 0 EDADRP c1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc(-c2nn[nH]n2)c1 ZINC000738410392 599452852 /nfs/dbraw/zinc/45/28/52/599452852.db2.gz LXVXIOWTKWMBEC-OAHLLOKOSA-N 2 0 342.447 1.457 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1)C[NH+]1CCCC1 ZINC000914243822 695303390 /nfs/dbraw/zinc/30/33/90/695303390.db2.gz UTABGROSJMLNEJ-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000914337839 695369593 /nfs/dbraw/zinc/36/95/93/695369593.db2.gz PRHGYDYXGZRISO-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCN3CCOCC3)C[C@H]21 ZINC000992839610 695399630 /nfs/dbraw/zinc/39/96/30/695399630.db2.gz BENXQEHUJKBYMO-RCCFBDPRSA-N 2 0 337.508 1.581 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)C1)C12CCC[NH+]1CCC2 ZINC000995017792 699998832 /nfs/dbraw/zinc/99/88/32/699998832.db2.gz WZEJLULCVZBNPX-KBPBESRZSA-N 2 0 349.504 1.541 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C[C@H]3C[C@]34CCOC4)C2)cc1 ZINC001031104256 695527180 /nfs/dbraw/zinc/52/71/80/695527180.db2.gz LRBQQYBTMDRAFX-XLIONFOSSA-N 2 0 343.471 1.589 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCC[N@@H+]1CCCO ZINC000993319111 695966783 /nfs/dbraw/zinc/96/67/83/695966783.db2.gz WEYWDVMTSQHVNA-HZPDHXFCSA-N 2 0 325.497 1.602 20 0 EDADRP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@@H+]1CCOC1CCC1 ZINC000994219002 696587707 /nfs/dbraw/zinc/58/77/07/696587707.db2.gz AIKDIGZNNYPRPA-RHSMWYFYSA-N 2 0 334.464 1.501 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994253972 696656618 /nfs/dbraw/zinc/65/66/18/696656618.db2.gz OVDJQGHXJHFOBP-RDJZCZTQSA-N 2 0 345.491 1.293 20 0 EDADRP COc1cncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008300 700109947 /nfs/dbraw/zinc/10/99/47/700109947.db2.gz IARBUFNBHLIMIN-HNNXBMFYSA-N 2 0 347.463 1.050 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389123 697009501 /nfs/dbraw/zinc/00/95/01/697009501.db2.gz BWHYZOPZUCXKIL-CRAIPNDOSA-N 2 0 331.460 1.047 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)NC[C@@H]3CC[N@H+]3C)CC2)oc1C ZINC000918061175 697127626 /nfs/dbraw/zinc/12/76/26/697127626.db2.gz NHERHNPNIPNTHS-INIZCTEOSA-N 2 0 349.479 1.507 20 0 EDADRP CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)CC1 ZINC001040836904 697240072 /nfs/dbraw/zinc/24/00/72/697240072.db2.gz ZRSMSJBVPMNGAW-IAGOWNOFSA-N 2 0 339.524 1.922 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCc3ccc(F)cc32)C1 ZINC001031584705 697280038 /nfs/dbraw/zinc/28/00/38/697280038.db2.gz IADYQRPSNPHHAS-ZWKOTPCHSA-N 2 0 331.435 1.955 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)C1CCCC1 ZINC001031681533 697505014 /nfs/dbraw/zinc/50/50/14/697505014.db2.gz WSNIMVMTUJVNAF-ZTFGCOKTSA-N 2 0 337.508 1.580 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3cccc(OC)n3)C2)CC[N@@H+]1C ZINC001031684690 697512099 /nfs/dbraw/zinc/51/20/99/697512099.db2.gz YSRLFGUTLVDNGB-DLBZAZTESA-N 2 0 346.475 1.369 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434950 697611186 /nfs/dbraw/zinc/61/11/86/697611186.db2.gz RNCIQICONSTIKP-RISCZKNCSA-N 2 0 337.493 1.487 20 0 EDADRP CC(C)=CC[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727769 697978262 /nfs/dbraw/zinc/97/82/62/697978262.db2.gz SEGFAQCQCLGJDR-GOSISDBHSA-N 2 0 335.492 1.644 20 0 EDADRP C[C@H]1C[N@H+](CCC2CC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943516044 698430273 /nfs/dbraw/zinc/43/02/73/698430273.db2.gz KEAHXBJJBPJXJT-MAUKXSAKSA-N 2 0 347.507 1.685 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000943516314 698430627 /nfs/dbraw/zinc/43/06/27/698430627.db2.gz LIWRKCMIQVCOMN-YJBOKZPZSA-N 2 0 333.476 1.571 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@H]1CCCC[NH2+]1 ZINC000237960397 698558740 /nfs/dbraw/zinc/55/87/40/698558740.db2.gz BAUINPNKWKKOGU-MRXNPFEDSA-N 2 0 331.416 1.676 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000940117484 700249902 /nfs/dbraw/zinc/24/99/02/700249902.db2.gz TXPLLAJQQZGUJQ-RHSMWYFYSA-N 2 0 345.491 1.596 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118574 698991891 /nfs/dbraw/zinc/99/18/91/698991891.db2.gz KQZVIYFDIBBUSP-QGZVFWFLSA-N 2 0 349.519 1.583 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939063268 699110375 /nfs/dbraw/zinc/11/03/75/699110375.db2.gz CGOBOIJTJOBPOS-SUMWQHHRSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939055187 699116384 /nfs/dbraw/zinc/11/63/84/699116384.db2.gz VOVWFEVFTLUKQG-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031776727 699169349 /nfs/dbraw/zinc/16/93/49/699169349.db2.gz NAQKZDKDXYTUCC-GOSISDBHSA-N 2 0 331.460 1.211 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939127361 699205263 /nfs/dbraw/zinc/20/52/63/699205263.db2.gz COWKTNSKMLSFLV-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)C1 ZINC000941567059 701579665 /nfs/dbraw/zinc/57/96/65/701579665.db2.gz PQNVDGORQRMGSV-HOTGVXAUSA-N 2 0 340.487 1.047 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939256905 699433999 /nfs/dbraw/zinc/43/39/99/699433999.db2.gz GLEGUWAVVXAZGI-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nccs1 ZINC000939256906 699434114 /nfs/dbraw/zinc/43/41/14/699434114.db2.gz GLEGUWAVVXAZGI-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCN(C3C[NH+](CCC4CC4)C3)CC2)CC1 ZINC000941615429 701597267 /nfs/dbraw/zinc/59/72/67/701597267.db2.gz XAMZXQZGDLIUIO-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2C[C@@]23CCOC3)C1)c1ccn2c[nH+]cc2c1 ZINC001031817497 699532215 /nfs/dbraw/zinc/53/22/15/699532215.db2.gz IVJBPDMHMHTJNR-VQIMIIECSA-N 2 0 340.427 1.423 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939394914 699545116 /nfs/dbraw/zinc/54/51/16/699545116.db2.gz DSQDMLLHPBVFNI-NVXWUHKLSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ccnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995164914 701604603 /nfs/dbraw/zinc/60/46/03/701604603.db2.gz BZBVMYVHVVRWQZ-HZPDHXFCSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)Cc3cncn3C)C[C@@H]2C)o1 ZINC000939535636 699676406 /nfs/dbraw/zinc/67/64/06/699676406.db2.gz RCIWLHCGHJZJAW-XHDPSFHLSA-N 2 0 331.420 1.204 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939551250 699700541 /nfs/dbraw/zinc/70/05/41/699700541.db2.gz RNEGFZSGVVFGLP-WFASDCNBSA-N 2 0 345.472 1.854 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cn2ccnc2C)C[C@@H]1C ZINC000939748549 699895535 /nfs/dbraw/zinc/89/55/35/699895535.db2.gz QJTKPVVZEZHCEZ-ZFWWWQNUSA-N 2 0 330.436 1.045 20 0 EDADRP COc1ccc(F)cc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C ZINC000939761039 699914245 /nfs/dbraw/zinc/91/42/45/699914245.db2.gz ZBTSRUGEJPSWQM-YOEHRIQHSA-N 2 0 349.450 1.867 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cc1F ZINC000939756575 699922995 /nfs/dbraw/zinc/92/29/95/699922995.db2.gz VINGHSRBHJZYHC-WMLDXEAASA-N 2 0 349.450 1.867 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001031850424 699942076 /nfs/dbraw/zinc/94/20/76/699942076.db2.gz ZTPZLCFARNIYPQ-CXAGYDPISA-N 2 0 328.416 1.563 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939808864 699957634 /nfs/dbraw/zinc/95/76/34/699957634.db2.gz GUHHORBKUZKFKW-FUHWJXTLSA-N 2 0 347.507 1.275 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940142309 700270515 /nfs/dbraw/zinc/27/05/15/700270515.db2.gz OOGLKOHYWCFBEV-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)cn1 ZINC000940154464 700284800 /nfs/dbraw/zinc/28/48/00/700284800.db2.gz YQIINLCRECSKMH-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP O=C(N[C@H]1CC[C@@H](C[NH2+]Cc2cncc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC000995169206 701646667 /nfs/dbraw/zinc/64/66/67/701646667.db2.gz RKPABGROTAGSML-PBHICJAKSA-N 2 0 346.450 1.691 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940329511 700508807 /nfs/dbraw/zinc/50/88/07/700508807.db2.gz UXDFIODDABVONY-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cccnc3)CC2)C1 ZINC000940329520 700508814 /nfs/dbraw/zinc/50/88/14/700508814.db2.gz UYAPHQKMHCJWHM-MRXNPFEDSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3nccn3C)CC2)C1 ZINC000940329579 700508998 /nfs/dbraw/zinc/50/89/98/700508998.db2.gz VPXDHRCZEGLMOO-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000940329898 700509946 /nfs/dbraw/zinc/50/99/46/700509946.db2.gz ZNCLPAANQNKNJL-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]C[C@H]2CCc3ncnn32)CC1)[NH+](C)C ZINC000940334527 700514499 /nfs/dbraw/zinc/51/44/99/700514499.db2.gz OKMSNNVSIYJXKK-CABCVRRESA-N 2 0 348.495 1.076 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000940457420 700660919 /nfs/dbraw/zinc/66/09/19/700660919.db2.gz FCCXKAHDZSTPQK-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]CC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC000995168586 701664374 /nfs/dbraw/zinc/66/43/74/701664374.db2.gz OYFWMSLKFNJOJU-IAGOWNOFSA-N 2 0 335.492 1.383 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CC2CCOCC2)CC1(C)C ZINC000940618166 700800022 /nfs/dbraw/zinc/80/00/22/700800022.db2.gz PIKIBERVJCJUGW-IRXDYDNUSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC000940835279 700933332 /nfs/dbraw/zinc/93/33/32/700933332.db2.gz BEVDRGNYIMTYRT-HZPDHXFCSA-N 2 0 337.508 1.460 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900007 700975402 /nfs/dbraw/zinc/97/54/02/700975402.db2.gz APTHLKFONFRZKW-ZEVUXNIQSA-N 2 0 349.519 1.866 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC2(C)C)C1 ZINC000940973441 701015496 /nfs/dbraw/zinc/01/54/96/701015496.db2.gz VDZKQBKJJTYTGM-HZPDHXFCSA-N 2 0 325.497 1.721 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2CN(Cc3ccc(F)cn3)C2)C1 ZINC001031917378 701028677 /nfs/dbraw/zinc/02/86/77/701028677.db2.gz YKRVXVPJCYURCC-INIZCTEOSA-N 2 0 348.466 1.891 20 0 EDADRP CN(C(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999168398 706596238 /nfs/dbraw/zinc/59/62/38/706596238.db2.gz IEPBHJJLMJTBKA-ABHNRTSZSA-N 2 0 345.491 1.374 20 0 EDADRP Cc1oncc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215911 701402366 /nfs/dbraw/zinc/40/23/66/701402366.db2.gz BGJCLQBNKJAEKD-GOEBONIOSA-N 2 0 334.464 1.651 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)C3CC[NH+](C)CC3)C2)cc1 ZINC001031947612 701503179 /nfs/dbraw/zinc/50/31/79/701503179.db2.gz IYJFQYNAQYPFEW-UHFFFAOYSA-N 2 0 331.460 1.585 20 0 EDADRP Cc1ccccc1OCC[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031948665 701518497 /nfs/dbraw/zinc/51/84/97/701518497.db2.gz KDKQZUWZCTYFRP-UHFFFAOYSA-N 2 0 345.487 1.764 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)C[C@@H]3CCC[N@@H+]3C(C)C)CC2)C1 ZINC000941436979 701540231 /nfs/dbraw/zinc/54/02/31/701540231.db2.gz NAZNFIBNZVGCKP-KRWDZBQOSA-N 2 0 336.524 1.488 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1)C12CC[NH+](CC1)C2 ZINC001032131968 701858596 /nfs/dbraw/zinc/85/85/96/701858596.db2.gz XPYCSIUNORPHLV-OAHLLOKOSA-N 2 0 341.446 1.956 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC000999188588 706629913 /nfs/dbraw/zinc/62/99/13/706629913.db2.gz BSMBMSHOMYSBRK-IIAWOOMASA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999191304 706633872 /nfs/dbraw/zinc/63/38/72/706633872.db2.gz XGPVCSYLYDJHLJ-KBAYOESNSA-N 2 0 330.476 1.811 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC000999191509 706634045 /nfs/dbraw/zinc/63/40/45/706634045.db2.gz YSFZXYOVGVQFGQ-XOKHGSTOSA-N 2 0 334.439 1.642 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]CCn1cccn1 ZINC000995825346 702097136 /nfs/dbraw/zinc/09/71/36/702097136.db2.gz RYSZWUZKSVMXBB-IAGOWNOFSA-N 2 0 345.491 1.052 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1(C)C ZINC000995826712 702099445 /nfs/dbraw/zinc/09/94/45/702099445.db2.gz RPTCNOFMRAXWHH-UNEWFSDZSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827770 702101550 /nfs/dbraw/zinc/10/15/50/702101550.db2.gz WGCWYGDBCVTQMZ-KBRIMQKVSA-N 2 0 348.466 1.888 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995871364 702175081 /nfs/dbraw/zinc/17/50/81/702175081.db2.gz KSVIQZVOLGWCOQ-IRXDYDNUSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)nn1C ZINC000995893628 702194664 /nfs/dbraw/zinc/19/46/64/702194664.db2.gz HJTHKTVYUXFLHU-DLBZAZTESA-N 2 0 347.507 1.395 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897464 702201446 /nfs/dbraw/zinc/20/14/46/702201446.db2.gz RJPQTBGTQNDQHD-DLBZAZTESA-N 2 0 348.491 1.904 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]CC[C@@H]2CCCO2)C(C)(C)C1)C1CCC1 ZINC000995918672 702237902 /nfs/dbraw/zinc/23/79/02/702237902.db2.gz OQSXTOQRLJNTKO-IRXDYDNUSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnc(CN[C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)o1 ZINC000995920102 702240670 /nfs/dbraw/zinc/24/06/70/702240670.db2.gz SHVGPCBUMMPGJT-CQSZACIVSA-N 2 0 335.452 1.189 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CCC1 ZINC000995920778 702242345 /nfs/dbraw/zinc/24/23/45/702242345.db2.gz VLVKPJKQJLRNEI-QGZVFWFLSA-N 2 0 330.476 1.893 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995926446 702254446 /nfs/dbraw/zinc/25/44/46/702254446.db2.gz NTITYGYLFLBKMK-HOTGVXAUSA-N 2 0 335.496 1.333 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032185869 702310426 /nfs/dbraw/zinc/31/04/26/702310426.db2.gz DLJGPYNCJZOPSC-MRXNPFEDSA-N 2 0 331.460 1.503 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)nn2)C(C)(C)C1)[NH+](C)C ZINC000995953528 702317323 /nfs/dbraw/zinc/31/73/23/702317323.db2.gz VYPWIEMFHNNCDP-HUUCEWRRSA-N 2 0 349.479 1.152 20 0 EDADRP C[C@@H]1C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169330 702411160 /nfs/dbraw/zinc/41/11/60/702411160.db2.gz OBLXAXYESIOFBY-NVXWUHKLSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1cccnc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944155308 702448452 /nfs/dbraw/zinc/44/84/52/702448452.db2.gz MFRABYCYDVUBCU-IRXDYDNUSA-N 2 0 342.487 1.812 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@@H]1[NH2+]CCC1CC1 ZINC000996071006 702482082 /nfs/dbraw/zinc/48/20/82/702482082.db2.gz NFOGRAVKRRZUEP-ASPXRTSYSA-N 2 0 347.503 1.476 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996220286 702631575 /nfs/dbraw/zinc/63/15/75/702631575.db2.gz FEVJPZSZDFLEGT-KRWDZBQOSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC000995207190 702663809 /nfs/dbraw/zinc/66/38/09/702663809.db2.gz DKWYYXGDKKMQPV-ZIAGYGMSSA-N 2 0 348.476 1.426 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208655 702679014 /nfs/dbraw/zinc/67/90/14/702679014.db2.gz IBXSJYYGGSSFOQ-HZPDHXFCSA-N 2 0 348.495 1.077 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C)C(N)=O ZINC000996413314 702764544 /nfs/dbraw/zinc/76/45/44/702764544.db2.gz CFGUDEAWUGQNNS-CJNGLKHVSA-N 2 0 346.475 1.062 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)cn1 ZINC000996463547 702791228 /nfs/dbraw/zinc/79/12/28/702791228.db2.gz HTWVYWWDCRJWRM-SFHVURJKSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC000996465765 702793132 /nfs/dbraw/zinc/79/31/32/702793132.db2.gz YNMURLCLBDJOJE-BBRMVZONSA-N 2 0 348.495 1.628 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CN(C(=O)Cc3ncc[nH]3)CC2(C)C)cn1 ZINC000996454782 702799439 /nfs/dbraw/zinc/79/94/39/702799439.db2.gz CAYMPANHSQVHRU-HNNXBMFYSA-N 2 0 344.463 1.238 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]Cc2ncccn2)CC1)[NH+]1CCCCC1 ZINC000996533451 702847946 /nfs/dbraw/zinc/84/79/46/702847946.db2.gz DDXHJBSJKHWIEC-UHFFFAOYSA-N 2 0 345.491 1.822 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cncs1 ZINC000996522022 702857718 /nfs/dbraw/zinc/85/77/18/702857718.db2.gz VAOCLFAVACODAR-CQSZACIVSA-N 2 0 334.489 1.566 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cn(C)nc3C)CC2)CC[N@@H+]1C ZINC000996603989 702913597 /nfs/dbraw/zinc/91/35/97/702913597.db2.gz PEZMRDLEYJJAEE-ZWKOTPCHSA-N 2 0 347.507 1.539 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnc(C)cn3)CC2)CC[N@@H+]1C ZINC000996604636 702914101 /nfs/dbraw/zinc/91/41/01/702914101.db2.gz VVWHQDYFUNMZQF-ZWKOTPCHSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996611356 702916512 /nfs/dbraw/zinc/91/65/12/702916512.db2.gz MNEPPEYQQJIDIY-INIZCTEOSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1cnccn1 ZINC000996611632 702917106 /nfs/dbraw/zinc/91/71/06/702917106.db2.gz NDMNJFCEXJFTFG-ZBFHGGJFSA-N 2 0 331.464 1.460 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2(C)C)ncn1 ZINC000996615920 702923379 /nfs/dbraw/zinc/92/33/79/702923379.db2.gz RXIKIVRVOYROTB-GDBMZVCRSA-N 2 0 331.464 1.063 20 0 EDADRP Cn1nccc1CC[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996663538 702961418 /nfs/dbraw/zinc/96/14/18/702961418.db2.gz HDILNIIZARXMHW-UHFFFAOYSA-N 2 0 333.480 1.028 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)nc1 ZINC000996666943 702963647 /nfs/dbraw/zinc/96/36/47/702963647.db2.gz USUNZTZWSDANGS-UHFFFAOYSA-N 2 0 331.464 1.350 20 0 EDADRP Cn1cc(CC[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996664616 702966702 /nfs/dbraw/zinc/96/67/02/702966702.db2.gz KUMMDPSDKCWBJJ-UHFFFAOYSA-N 2 0 333.480 1.028 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC000996673267 702968748 /nfs/dbraw/zinc/96/87/48/702968748.db2.gz UYXVSCAKMUEVCV-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996674418 702969765 /nfs/dbraw/zinc/96/97/65/702969765.db2.gz CXYLEZYHCCCWLB-GOSISDBHSA-N 2 0 346.475 1.511 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)[nH]1 ZINC000996672189 702973158 /nfs/dbraw/zinc/97/31/58/702973158.db2.gz LJBPMGVYHPTTNX-GFCCVEGCSA-N 2 0 334.468 1.239 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)on1 ZINC000996688196 702985276 /nfs/dbraw/zinc/98/52/76/702985276.db2.gz GOURVSIXGWRFLY-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2ncnn2C(C)C)CC1)[NH+](C)C ZINC000996711004 703005696 /nfs/dbraw/zinc/00/56/96/703005696.db2.gz IEWLNWVTHRRRLF-OAHLLOKOSA-N 2 0 336.484 1.280 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996726046 703021084 /nfs/dbraw/zinc/02/10/84/703021084.db2.gz VQHUNYGABZVWEU-DZGCQCFKSA-N 2 0 349.479 1.758 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)o1 ZINC000996730898 703028037 /nfs/dbraw/zinc/02/80/37/703028037.db2.gz VSMHPWJUFSNHNM-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001032027826 703049650 /nfs/dbraw/zinc/04/96/50/703049650.db2.gz ZHIVNAVAUUUMKO-AEFFLSMTSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1)[NH+]1CCCC1 ZINC000996868724 703141146 /nfs/dbraw/zinc/14/11/46/703141146.db2.gz YIGDYDYGXIDBFD-JXFKEZNVSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CC[N@@H+]1C ZINC000996925175 703199114 /nfs/dbraw/zinc/19/91/14/703199114.db2.gz YMHABIBRIVSOPP-GJZGRUSLSA-N 2 0 333.480 1.231 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996997766 703254558 /nfs/dbraw/zinc/25/45/58/703254558.db2.gz GMYXZUGSWDTAKU-UONOGXRCSA-N 2 0 349.479 1.758 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997004497 703261656 /nfs/dbraw/zinc/26/16/56/703261656.db2.gz DIZBZAFHDIVNMB-ZBFHGGJFSA-N 2 0 345.491 1.768 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC000997006447 703263987 /nfs/dbraw/zinc/26/39/87/703263987.db2.gz GJNMJVIMDWRTSE-RDTXWAMCSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997003581 703267738 /nfs/dbraw/zinc/26/77/38/703267738.db2.gz CEXOBIXBPJRQEE-UHFFFAOYSA-N 2 0 335.452 1.191 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2cnc(C)cn2)CC1)[NH+](C)C ZINC000997016197 703274912 /nfs/dbraw/zinc/27/49/12/703274912.db2.gz TXRFQGTWUCSGJG-PBHICJAKSA-N 2 0 333.480 1.767 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000997059396 703304951 /nfs/dbraw/zinc/30/49/51/703304951.db2.gz CQVVPZVPZKPLOO-MRXNPFEDSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nn2)CC1 ZINC000997065141 703309593 /nfs/dbraw/zinc/30/95/93/703309593.db2.gz YUXXUHVDWNOGNI-QGZVFWFLSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)c1nccn1CC(=O)N1CCC([NH2+]Cc2ccnn2C)CC1 ZINC000997065671 703310042 /nfs/dbraw/zinc/31/00/42/703310042.db2.gz SYRJBXKIUWBFDG-UHFFFAOYSA-N 2 0 344.463 1.521 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)CC1 ZINC000997114760 703367803 /nfs/dbraw/zinc/36/78/03/703367803.db2.gz GVPIGPMPFVZQOI-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([NH2+]CC[C@H]3CCCCO3)CC2)C1 ZINC000997185851 703474843 /nfs/dbraw/zinc/47/48/43/703474843.db2.gz SVJDXMRISBNFIA-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000997186698 703475977 /nfs/dbraw/zinc/47/59/77/703475977.db2.gz JYVUWLNZSABNOD-UHFFFAOYSA-N 2 0 345.491 1.640 20 0 EDADRP COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997297001 703555565 /nfs/dbraw/zinc/55/55/65/703555565.db2.gz CJPMOJQXQASRBH-AWEZNQCLSA-N 2 0 349.450 1.867 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997358534 703589344 /nfs/dbraw/zinc/58/93/44/703589344.db2.gz BVEVIFVODGETBU-GJZGRUSLSA-N 2 0 348.495 1.251 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)n1 ZINC000997359741 703590364 /nfs/dbraw/zinc/59/03/64/703590364.db2.gz JNEICKZYCRMSHI-HOTGVXAUSA-N 2 0 345.491 1.738 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997361384 703598711 /nfs/dbraw/zinc/59/87/11/703598711.db2.gz URLIJDQCSPLAKK-GJZGRUSLSA-N 2 0 348.495 1.251 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000997366945 703600956 /nfs/dbraw/zinc/60/09/56/703600956.db2.gz QVYZBJWEADBURI-CRAIPNDOSA-N 2 0 345.491 1.993 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccon2)CC1)[NH+]1CCCC1 ZINC000997369297 703610632 /nfs/dbraw/zinc/61/06/32/703610632.db2.gz NDJXDFTZLQOPEZ-QGZVFWFLSA-N 2 0 334.464 1.876 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cnn(C)n2)CC1)[NH+]1CCCC1 ZINC000997369390 703610749 /nfs/dbraw/zinc/61/07/49/703610749.db2.gz OOXPSARAFHYAIU-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997389257 703657327 /nfs/dbraw/zinc/65/73/27/703657327.db2.gz CQNYNTLKAXFBQY-OAHLLOKOSA-N 2 0 345.491 1.233 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997422837 703671296 /nfs/dbraw/zinc/67/12/96/703671296.db2.gz ZQNLYNCAYUOJNI-WBVHZDCISA-N 2 0 337.508 1.724 20 0 EDADRP CCn1nc(C)c(CN[C@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995550488 703953796 /nfs/dbraw/zinc/95/37/96/703953796.db2.gz JQHBZKKYJUPVQA-HOTGVXAUSA-N 2 0 348.495 1.027 20 0 EDADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004206466 703964471 /nfs/dbraw/zinc/96/44/71/703964471.db2.gz LUAGWHPSACTYMU-AWEZNQCLSA-N 2 0 346.475 1.077 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553753 703965481 /nfs/dbraw/zinc/96/54/81/703965481.db2.gz SZEUBVLEMWXFDE-JKSUJKDBSA-N 2 0 331.464 1.206 20 0 EDADRP C[C@H](C(N)=O)[NH+]1CCC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997677698 704048083 /nfs/dbraw/zinc/04/80/83/704048083.db2.gz UXJKENKMYVARKP-QWHCGFSZSA-N 2 0 343.431 1.038 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033080820 704135485 /nfs/dbraw/zinc/13/54/85/704135485.db2.gz JOITXJAQKZSRBG-ZWKOTPCHSA-N 2 0 342.487 1.765 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033081480 704136752 /nfs/dbraw/zinc/13/67/52/704136752.db2.gz JUCJZAWXNILTEH-WMZOPIPTSA-N 2 0 337.508 1.556 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081737 704137493 /nfs/dbraw/zinc/13/74/93/704137493.db2.gz NSPMQNOFEKDJHN-QZTJIDSGSA-N 2 0 345.491 1.103 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033079927 704144012 /nfs/dbraw/zinc/14/40/12/704144012.db2.gz AIWKOBGSROZZDC-QZTJIDSGSA-N 2 0 328.460 1.456 20 0 EDADRP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001033084711 704154889 /nfs/dbraw/zinc/15/48/89/704154889.db2.gz KKANFESLCSOYLT-HOTGVXAUSA-N 2 0 335.496 1.637 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCC3CCOCC3)C2)CC[N@@H+]1C ZINC001033090568 704172820 /nfs/dbraw/zinc/17/28/20/704172820.db2.gz CNFCEPGUISCQAJ-KBAYOESNSA-N 2 0 337.508 1.676 20 0 EDADRP CCO[C@H](CNC(=O)NC1CC[NH+](C2CCC2)CC1)C[NH+](C)C ZINC000922769451 704320700 /nfs/dbraw/zinc/32/07/00/704320700.db2.gz WCCXODGLPVSEAQ-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999311263 706814044 /nfs/dbraw/zinc/81/40/44/706814044.db2.gz ZZVCOZCQFUBEMN-UKRRQHHQSA-N 2 0 337.493 1.493 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1)[NH+]1CCCC1 ZINC001032557362 704736419 /nfs/dbraw/zinc/73/64/19/704736419.db2.gz HOJWIKZKDSHPTI-IKGGRYGDSA-N 2 0 335.492 1.573 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1)C1CC1 ZINC000997830397 704749070 /nfs/dbraw/zinc/74/90/70/704749070.db2.gz JTHKKTSNHHOIFX-QGZVFWFLSA-N 2 0 331.464 1.145 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1)C1CC1 ZINC000997832018 704750339 /nfs/dbraw/zinc/75/03/39/704750339.db2.gz XJIVPEXNNIGYPH-INIZCTEOSA-N 2 0 336.505 1.812 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000997840736 704757135 /nfs/dbraw/zinc/75/71/35/704757135.db2.gz QJPMSYOOEIMQPI-QGZVFWFLSA-N 2 0 348.495 1.018 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)[NH+](C)C ZINC000997845253 704761366 /nfs/dbraw/zinc/76/13/66/704761366.db2.gz UVECVYGVRNAPOE-HNNXBMFYSA-N 2 0 339.509 1.453 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997860438 704769186 /nfs/dbraw/zinc/76/91/86/704769186.db2.gz HEZYTIGLLXRVPL-YJBOKZPZSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000997860886 704771290 /nfs/dbraw/zinc/77/12/90/704771290.db2.gz CUPLUSPIZNBTJP-CJNGLKHVSA-N 2 0 349.479 1.752 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)c1nncn1C ZINC000997865167 704772367 /nfs/dbraw/zinc/77/23/67/704772367.db2.gz LSPXVTMLLXVJIQ-ZBFHGGJFSA-N 2 0 348.495 1.189 20 0 EDADRP C[C@H](NC(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000997874844 704779578 /nfs/dbraw/zinc/77/95/78/704779578.db2.gz SKZXWHHGYAKMRQ-HNNXBMFYSA-N 2 0 333.476 1.571 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000997889080 704791002 /nfs/dbraw/zinc/79/10/02/704791002.db2.gz RLNPCDPHIZCMTN-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)cn1 ZINC000944945228 704798273 /nfs/dbraw/zinc/79/82/73/704798273.db2.gz QDINOOWHADVKHS-WBVHZDCISA-N 2 0 346.475 1.513 20 0 EDADRP O=C([C@H]1COCCN1C1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC1 ZINC001032585557 705068263 /nfs/dbraw/zinc/06/82/63/705068263.db2.gz MUXFUKCIJHJRHX-GBESFXJTSA-N 2 0 347.503 1.715 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000997997457 705152483 /nfs/dbraw/zinc/15/24/83/705152483.db2.gz UEXZKKHRKYLLRS-INIZCTEOSA-N 2 0 349.479 1.520 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000998080505 705306276 /nfs/dbraw/zinc/30/62/76/705306276.db2.gz BRTYVRPEBUOLMP-SUMWQHHRSA-N 2 0 348.491 1.817 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC000998082528 705309913 /nfs/dbraw/zinc/30/99/13/705309913.db2.gz QJWSORMOEMGBEZ-LSDHHAIUSA-N 2 0 348.495 1.046 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998083032 705311128 /nfs/dbraw/zinc/31/11/28/705311128.db2.gz SXXVUWPWGLXALE-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998084112 705314766 /nfs/dbraw/zinc/31/47/66/705314766.db2.gz ZQSZHUVDULBUCW-CZUORRHYSA-N 2 0 334.464 1.509 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2nnc(C)o2)CC1)[NH+](C)C ZINC000998085895 705318444 /nfs/dbraw/zinc/31/84/44/705318444.db2.gz JFKUVWYTPFRAPV-WFASDCNBSA-N 2 0 337.468 1.607 20 0 EDADRP CCN(C(=O)C1CC[NH+](C(C)C)CC1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998165941 705456773 /nfs/dbraw/zinc/45/67/73/705456773.db2.gz OGMGAXMTMBDHMN-GOSISDBHSA-N 2 0 339.524 1.802 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CCC[N@H+](C[C@H]2CCOC2)CC1 ZINC000998176772 705473365 /nfs/dbraw/zinc/47/33/65/705473365.db2.gz OBISMNUIJBQVDH-QZTJIDSGSA-N 2 0 349.519 1.822 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)c1csnn1 ZINC000998221602 705546738 /nfs/dbraw/zinc/54/67/38/705546738.db2.gz DXEYDMMYZWXQOL-ZDUSSCGKSA-N 2 0 349.504 1.523 20 0 EDADRP Cc1cncc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c1 ZINC000998222868 705550029 /nfs/dbraw/zinc/55/00/29/705550029.db2.gz NZPOCVWFOZVCKD-UHFFFAOYSA-N 2 0 342.487 1.814 20 0 EDADRP CCc1[nH]nc(Cl)c1CNCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000921654789 705842233 /nfs/dbraw/zinc/84/22/33/705842233.db2.gz YDMWCHQYUJPYCU-CQSZACIVSA-N 2 0 341.887 1.658 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000998548335 705983814 /nfs/dbraw/zinc/98/38/14/705983814.db2.gz GNFBINXBXVMDGR-NRXISQOPSA-N 2 0 336.867 1.908 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc3nonc3c2)C1 ZINC000998549489 705985805 /nfs/dbraw/zinc/98/58/05/705985805.db2.gz LFJZWIKGSUKZTA-KVULBXGLSA-N 2 0 343.431 1.396 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998550473 705987160 /nfs/dbraw/zinc/98/71/60/705987160.db2.gz MGGYNTRWSHQBQU-HTWSVDAQSA-N 2 0 349.450 1.491 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC000998552889 705990449 /nfs/dbraw/zinc/99/04/49/705990449.db2.gz UOXBREXFDILFGP-BCLQGDPASA-N 2 0 334.468 1.032 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998553282 705991068 /nfs/dbraw/zinc/99/10/68/705991068.db2.gz VUOQIEZNKRAAOZ-GPANFISMSA-N 2 0 332.448 1.263 20 0 EDADRP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000998779882 706221118 /nfs/dbraw/zinc/22/11/18/706221118.db2.gz IFBWRAUUZKGWKF-DAWZGUTISA-N 2 0 342.487 1.811 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC([NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC000998790577 706237541 /nfs/dbraw/zinc/23/75/41/706237541.db2.gz ACPMVPVCTQJINS-YHDCKOJYSA-N 2 0 345.491 1.249 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2conc2C)C1 ZINC000998866633 706296381 /nfs/dbraw/zinc/29/63/81/706296381.db2.gz MSCWXLPPGGVGEF-OFLPRAFFSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998868324 706297529 /nfs/dbraw/zinc/29/75/29/706297529.db2.gz WUNLKHAYKZVJRI-OFLPRAFFSA-N 2 0 333.480 1.374 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000998995793 706413229 /nfs/dbraw/zinc/41/32/29/706413229.db2.gz VDRXQZOQNOWWQQ-PVARCSIZSA-N 2 0 346.475 1.654 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000999034857 706449778 /nfs/dbraw/zinc/44/97/78/706449778.db2.gz FFIQGSVWWHZDJZ-BDVYOWHSSA-N 2 0 348.495 1.015 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946518039 706555036 /nfs/dbraw/zinc/55/50/36/706555036.db2.gz MVQZZJZPYYUMQV-HLLBOEOZSA-N 2 0 332.448 1.439 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCCC2)C1 ZINC000999143929 706557616 /nfs/dbraw/zinc/55/76/16/706557616.db2.gz RHMQUCAQAMQTPL-AZRLCKCBSA-N 2 0 347.503 1.619 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC([NH2+]CC2CCC2)C1 ZINC000999143882 706557705 /nfs/dbraw/zinc/55/77/05/706557705.db2.gz RASNTTLZFJYIPA-WCWCZOKXSA-N 2 0 333.476 1.229 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC000999144268 706558098 /nfs/dbraw/zinc/55/80/98/706558098.db2.gz KYRZFIRSURMZHZ-SJLPKXTDSA-N 2 0 345.491 1.738 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)CCc2c[nH]cn2)C1 ZINC000999318358 706826384 /nfs/dbraw/zinc/82/63/84/706826384.db2.gz RSNIIJVXANCNPF-KRWDZBQOSA-N 2 0 327.432 1.827 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1C ZINC000999372998 706867405 /nfs/dbraw/zinc/86/74/05/706867405.db2.gz PUYHBUHUWHJYED-WBVHZDCISA-N 2 0 333.480 1.149 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999379557 706873356 /nfs/dbraw/zinc/87/33/56/706873356.db2.gz ZKMDDBFVAWWEIM-DOTOQJQBSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999399653 706894425 /nfs/dbraw/zinc/89/44/25/706894425.db2.gz IXCFTNXLTRJMIP-SJORKVTESA-N 2 0 334.464 1.938 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999489692 707025722 /nfs/dbraw/zinc/02/57/22/707025722.db2.gz LSFLGCPPGGFAEY-QGZVFWFLSA-N 2 0 346.475 1.940 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2)o1 ZINC000999491974 707028674 /nfs/dbraw/zinc/02/86/74/707028674.db2.gz YBVVOHWSOYFMNQ-HUUCEWRRSA-N 2 0 336.480 1.966 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H]([NH2+]C[C@@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC000999563460 707060068 /nfs/dbraw/zinc/06/00/68/707060068.db2.gz SPJMSNKLMCUMKF-JKSUJKDBSA-N 2 0 342.443 1.873 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999597964 707100403 /nfs/dbraw/zinc/10/04/03/707100403.db2.gz TUZKMMSMJMTKPA-HNNXBMFYSA-N 2 0 331.464 1.129 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001033276663 707340753 /nfs/dbraw/zinc/34/07/53/707340753.db2.gz DTBOSQHPSGHTRS-ASPXRTSYSA-N 2 0 349.519 1.819 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033274472 707352574 /nfs/dbraw/zinc/35/25/74/707352574.db2.gz YYDYSSNIJADKSH-CRAIPNDOSA-N 2 0 342.443 1.907 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921687124 707415037 /nfs/dbraw/zinc/41/50/37/707415037.db2.gz XNVWGZRSRPFEHK-UHFFFAOYSA-N 2 0 346.519 1.752 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(-n3ccnc3)cc2)C1 ZINC001033299185 707443420 /nfs/dbraw/zinc/44/34/20/707443420.db2.gz AIDPYTDPAZXYLZ-KRWDZBQOSA-N 2 0 328.416 1.665 20 0 EDADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC([NH2+]C[C@@H]2CCOC2)C1 ZINC000999870599 707512903 /nfs/dbraw/zinc/51/29/03/707512903.db2.gz NPZLSHFKCPHEQR-IVMQYODDSA-N 2 0 345.487 1.977 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCn2cccn2)C1 ZINC000999876905 707525267 /nfs/dbraw/zinc/52/52/67/707525267.db2.gz WYGGOOZETZGBOG-OFLPRAFFSA-N 2 0 333.480 1.337 20 0 EDADRP CCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000999876870 707525308 /nfs/dbraw/zinc/52/53/08/707525308.db2.gz VBOCIJWGJJQGQD-GPANFISMSA-N 2 0 348.495 1.251 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnoc2C)C1 ZINC000999877012 707525323 /nfs/dbraw/zinc/52/53/23/707525323.db2.gz XLIXAXRZDXNLII-JCYILVPMSA-N 2 0 334.464 1.936 20 0 EDADRP C[C@H](NCc1cnn(C)n1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004876235 707541487 /nfs/dbraw/zinc/54/14/87/707541487.db2.gz HSUCROVBYYTUOG-YOEHRIQHSA-N 2 0 348.495 1.159 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[NH+](C(C)C)C2)nn1 ZINC000999986954 707659174 /nfs/dbraw/zinc/65/91/74/707659174.db2.gz LAXNQVXYCZRFBA-DLBZAZTESA-N 2 0 348.495 1.424 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001033396504 707735391 /nfs/dbraw/zinc/73/53/91/707735391.db2.gz ORDBWDDCYQIKTP-MRXNPFEDSA-N 2 0 334.464 1.666 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033421436 707833870 /nfs/dbraw/zinc/83/38/70/707833870.db2.gz XDZCLTYZWDPYIW-DZGCQCFKSA-N 2 0 329.435 1.906 20 0 EDADRP Cc1nccn1CC(=O)N1CCCC[C@@H]1[C@@H](C)NCc1nncs1 ZINC001004993596 707876534 /nfs/dbraw/zinc/87/65/34/707876534.db2.gz REVMEYKHAVYTHW-TZMCWYRMSA-N 2 0 348.476 1.602 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033471506 707934190 /nfs/dbraw/zinc/93/41/90/707934190.db2.gz KCKFKMRMROCSHZ-GOSISDBHSA-N 2 0 330.476 1.846 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033474814 707964233 /nfs/dbraw/zinc/96/42/33/707964233.db2.gz KUHCEIICZLIJLD-GOSISDBHSA-N 2 0 330.476 1.846 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001000917839 708076752 /nfs/dbraw/zinc/07/67/52/708076752.db2.gz NABKQUNFKABMHT-IRXDYDNUSA-N 2 0 331.460 1.728 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC001033594508 708296803 /nfs/dbraw/zinc/29/68/03/708296803.db2.gz QTJVWOKVQOFSFZ-KRWDZBQOSA-N 2 0 345.491 1.128 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC001033594885 708297460 /nfs/dbraw/zinc/29/74/60/708297460.db2.gz SBENGCRZSOCYDU-SJORKVTESA-N 2 0 335.492 1.574 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033595462 708299359 /nfs/dbraw/zinc/29/93/59/708299359.db2.gz UGOHJDGOYCQPJS-QGZVFWFLSA-N 2 0 335.492 1.432 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](CC[C@H]3CCCO3)CC2)CC1 ZINC001001794100 708308673 /nfs/dbraw/zinc/30/86/73/708308673.db2.gz BCXGFQJGNGNCQW-GOSISDBHSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001001911137 708416349 /nfs/dbraw/zinc/41/63/49/708416349.db2.gz KKDKBZYKNAQNFF-KRWDZBQOSA-N 2 0 325.497 1.460 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033659187 708470235 /nfs/dbraw/zinc/47/02/35/708470235.db2.gz VWXPPUJXTNVEHY-IBGZPJMESA-N 2 0 345.487 1.962 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCOc2ccccc2F)C1 ZINC001033659172 708470347 /nfs/dbraw/zinc/47/03/47/708470347.db2.gz BTVRPNAEZLZDSN-HOTGVXAUSA-N 2 0 349.450 1.689 20 0 EDADRP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)c(C)n1 ZINC001002121599 708635475 /nfs/dbraw/zinc/63/54/75/708635475.db2.gz RXVHUESMKVHMCN-LJQANCHMSA-N 2 0 344.503 1.978 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001002144955 708658863 /nfs/dbraw/zinc/65/88/63/708658863.db2.gz KHKORRXAARRQFW-HNNXBMFYSA-N 2 0 333.476 1.571 20 0 EDADRP COCC[NH+]1CCC(CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001002157433 708671716 /nfs/dbraw/zinc/67/17/16/708671716.db2.gz JTJICCPRBAVJCW-UHFFFAOYSA-N 2 0 333.476 1.836 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033777389 708705241 /nfs/dbraw/zinc/70/52/41/708705241.db2.gz VIUKANMIXMTHLG-MOPGFXCFSA-N 2 0 345.487 1.696 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001005408261 708915670 /nfs/dbraw/zinc/91/56/70/708915670.db2.gz VZXKWMCNAQBAPR-CRAIPNDOSA-N 2 0 347.507 1.226 20 0 EDADRP CCc1noc(C)c1C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001002445742 708967579 /nfs/dbraw/zinc/96/75/79/708967579.db2.gz XKMLLEYSEFISIR-QGZVFWFLSA-N 2 0 334.464 1.720 20 0 EDADRP C[C@H](c1cccc(F)c1)[NH+]1CCC(NC(=O)[C@H]2CN(C)CCO2)CC1 ZINC001002537416 709082568 /nfs/dbraw/zinc/08/25/68/709082568.db2.gz XACVKOWECHRZHM-RDTXWAMCSA-N 2 0 349.450 1.798 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@H]2CC[NH+](CCOC)C2)C1 ZINC001033932629 709090851 /nfs/dbraw/zinc/09/08/51/709090851.db2.gz QKRVTQPKSAYJEF-IRXDYDNUSA-N 2 0 325.497 1.678 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC001034014742 709230100 /nfs/dbraw/zinc/23/01/00/709230100.db2.gz CROSYCVQEOUXNH-QZTJIDSGSA-N 2 0 349.519 1.822 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001034015466 709232341 /nfs/dbraw/zinc/23/23/41/709232341.db2.gz HLNWEQRKRPCYKW-DLBZAZTESA-N 2 0 335.492 1.432 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002790952 709398514 /nfs/dbraw/zinc/39/85/14/709398514.db2.gz CSWVKEANZLDPML-WMZOPIPTSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccns2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002834379 709449580 /nfs/dbraw/zinc/44/95/80/709449580.db2.gz UAIJFIHCOXPBMM-QGZVFWFLSA-N 2 0 348.516 1.608 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001002953781 709653655 /nfs/dbraw/zinc/65/36/55/709653655.db2.gz CKTOFBWDHGRFPJ-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003161140 710070628 /nfs/dbraw/zinc/07/06/28/710070628.db2.gz VKYOLJXZXDWYPD-KRWDZBQOSA-N 2 0 333.480 1.028 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034487209 710134413 /nfs/dbraw/zinc/13/44/13/710134413.db2.gz MWBJSRKAIISKLM-MRXNPFEDSA-N 2 0 346.475 1.858 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003220964 710139321 /nfs/dbraw/zinc/13/93/21/710139321.db2.gz GZEXSRUBTJNEEC-CYBMUJFWSA-N 2 0 330.432 1.872 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)O1 ZINC001003242739 710165622 /nfs/dbraw/zinc/16/56/22/710165622.db2.gz HEBIDZSFFHLTRB-NVXWUHKLSA-N 2 0 335.492 1.763 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](CCO[C@@H]2CC2(F)F)C1 ZINC001034528034 710181597 /nfs/dbraw/zinc/18/15/97/710181597.db2.gz IQDYFJMHASMYJJ-LSDHHAIUSA-N 2 0 345.434 1.477 20 0 EDADRP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC001034611139 710285320 /nfs/dbraw/zinc/28/53/20/710285320.db2.gz IEQTWXQJKUVYPP-DZKIICNBSA-N 2 0 334.464 1.848 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1)OC ZINC001003374724 710292873 /nfs/dbraw/zinc/29/28/73/710292873.db2.gz FFFVCHJODUFHEK-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H](C1CC1)[NH+]1CCCC1 ZINC001003375376 710293502 /nfs/dbraw/zinc/29/35/02/710293502.db2.gz NOSZFHZZHZBNMF-GOSISDBHSA-N 2 0 345.491 1.338 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001034647582 710324287 /nfs/dbraw/zinc/32/42/87/710324287.db2.gz MNDUXGQTVBAHHG-YFHUEUNASA-N 2 0 347.507 1.760 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034647973 710324573 /nfs/dbraw/zinc/32/45/73/710324573.db2.gz CIQSRAVDBOFORK-LEUOFYLZSA-N 2 0 335.492 1.382 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001034649699 710326101 /nfs/dbraw/zinc/32/61/01/710326101.db2.gz PYAGZDAECUTGEA-LUKYLMHMSA-N 2 0 345.491 1.724 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2C)CC1)C1CCC1 ZINC001003628478 710458117 /nfs/dbraw/zinc/45/81/17/710458117.db2.gz QKKGOXUDDDXPKB-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001003630024 710459675 /nfs/dbraw/zinc/45/96/75/710459675.db2.gz HXYREEQDTJEPIN-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001034693763 710785568 /nfs/dbraw/zinc/78/55/68/710785568.db2.gz GQTZBZRFLKWNNH-RVKOJVRFSA-N 2 0 335.492 1.523 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC001034720173 710886531 /nfs/dbraw/zinc/88/65/31/710886531.db2.gz ABLHYBCRAKXMDE-XIRDDKMYSA-N 2 0 345.491 1.896 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034734826 710913468 /nfs/dbraw/zinc/91/34/68/710913468.db2.gz ADRGUDMXRSTTMA-KBRIMQKVSA-N 2 0 334.464 1.984 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034736690 710923972 /nfs/dbraw/zinc/92/39/72/710923972.db2.gz AGKRBOFRICYPOH-DZUCGIPZSA-N 2 0 348.491 1.952 20 0 EDADRP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC001034738613 710954139 /nfs/dbraw/zinc/95/41/39/710954139.db2.gz UOTYPRKQNHBPGZ-QBYUYEEZSA-N 2 0 348.495 1.013 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCOC3)CC2)C1 ZINC001034775837 711050407 /nfs/dbraw/zinc/05/04/07/711050407.db2.gz KEAURGCMPQZBGY-MHORFTMASA-N 2 0 337.508 1.772 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034794467 711111090 /nfs/dbraw/zinc/11/10/90/711111090.db2.gz JNRAVZZNUGDMJP-WKILWMFISA-N 2 0 334.464 1.850 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034793179 711121701 /nfs/dbraw/zinc/12/17/01/711121701.db2.gz RIHFCEFFLLBGTG-BZSNNMDCSA-N 2 0 347.507 1.414 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034797141 711130734 /nfs/dbraw/zinc/13/07/34/711130734.db2.gz WVEMUAJIIAUELC-QBPKDAKJSA-N 2 0 347.507 1.810 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034797412 711131409 /nfs/dbraw/zinc/13/14/09/711131409.db2.gz ZYOMIBPSNGVQPZ-KLHDSHLOSA-N 2 0 348.495 1.205 20 0 EDADRP Cc1oncc1C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C)cc1 ZINC001034811570 711175749 /nfs/dbraw/zinc/17/57/49/711175749.db2.gz VXNWHQIQTANBLP-SFHVURJKSA-N 2 0 342.443 1.983 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)n1 ZINC001034957557 711428936 /nfs/dbraw/zinc/42/89/36/711428936.db2.gz AKXSZVOVBNEVIN-QGZVFWFLSA-N 2 0 333.480 1.468 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001034958246 711431513 /nfs/dbraw/zinc/43/15/13/711431513.db2.gz FDBBRULLGYIQGO-QZTJIDSGSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)C1 ZINC001034958857 711432709 /nfs/dbraw/zinc/43/27/09/711432709.db2.gz MPMASLGHLUCNRC-IAGOWNOFSA-N 2 0 347.507 1.479 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(C(N)=O)c1)[NH+](C)C ZINC001034971540 711451627 /nfs/dbraw/zinc/45/16/27/711451627.db2.gz PHGUZPUKVFWNCU-IAGOWNOFSA-N 2 0 346.475 1.206 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC001004149114 711562846 /nfs/dbraw/zinc/56/28/46/711562846.db2.gz FNHITHUMHKLNTP-KGLIPLIRSA-N 2 0 329.435 1.954 20 0 EDADRP CN(c1ccccc1C[NH2+]C1CC(CC(N)=O)C1)C1CC[NH+](C)CC1 ZINC000922513543 711643562 /nfs/dbraw/zinc/64/35/62/711643562.db2.gz DXPCWGBMTGPTRH-UHFFFAOYSA-N 2 0 344.503 1.961 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1 ZINC001004594657 712034116 /nfs/dbraw/zinc/03/41/16/712034116.db2.gz BPYJYQKFXCHCET-KRWDZBQOSA-N 2 0 346.475 1.457 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004608407 712061085 /nfs/dbraw/zinc/06/10/85/712061085.db2.gz ZJJCNXKSXLJXLD-AEFFLSMTSA-N 2 0 349.519 1.820 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@@H+]1C ZINC000421012557 282170339 /nfs/dbraw/zinc/17/03/39/282170339.db2.gz UCYONSCULCYPEY-MSOLQXFVSA-N 2 0 332.492 1.432 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000347575743 536776681 /nfs/dbraw/zinc/77/66/81/536776681.db2.gz XXCNOHWGUZGWPG-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)c1ccc(F)cc1 ZINC000133474912 282238433 /nfs/dbraw/zinc/23/84/33/282238433.db2.gz OTNRCFLOCCHIJE-HUUCEWRRSA-N 2 0 325.453 1.640 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000129764480 529773993 /nfs/dbraw/zinc/77/39/93/529773993.db2.gz GFMQSCXDUPFOCF-QGZVFWFLSA-N 2 0 330.476 1.163 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000343015019 539776258 /nfs/dbraw/zinc/77/62/58/539776258.db2.gz PHGYXVKYTHGLFQ-HRCADAONSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000153316004 539862579 /nfs/dbraw/zinc/86/25/79/539862579.db2.gz RQBORXWBORWSJM-ZFWWWQNUSA-N 2 0 336.432 1.475 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353521347 539934556 /nfs/dbraw/zinc/93/45/56/539934556.db2.gz RFOVPBMDFIQMDK-RCCFBDPRSA-N 2 0 336.524 1.392 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000562746182 306307596 /nfs/dbraw/zinc/30/75/96/306307596.db2.gz CNTMOJGYFSCYBL-GJZGRUSLSA-N 2 0 332.448 1.830 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562794264 306309309 /nfs/dbraw/zinc/30/93/09/306309309.db2.gz DQVRXTHGCPDOJU-SJLPKXTDSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000563134287 306319747 /nfs/dbraw/zinc/31/97/47/306319747.db2.gz XPCBCJKCQRRLKP-YWPYICTPSA-N 2 0 348.447 1.252 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@@H](C)[NH2+]C1CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000563157664 306320849 /nfs/dbraw/zinc/32/08/49/306320849.db2.gz KRPWLWQMYJLULY-ZBFHGGJFSA-N 2 0 345.491 1.514 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000105166713 219467089 /nfs/dbraw/zinc/46/70/89/219467089.db2.gz UWMNZYLQIQUFLS-UHFFFAOYSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000563198115 306322785 /nfs/dbraw/zinc/32/27/85/306322785.db2.gz FUHJQAIWVHQGQX-MRXNPFEDSA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000495155151 540052955 /nfs/dbraw/zinc/05/29/55/540052955.db2.gz YTKZUNZMMAYXMO-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCC(C)CC1 ZINC000187047032 540153641 /nfs/dbraw/zinc/15/36/41/540153641.db2.gz OJRXRLXUUIDGNA-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[C@]1(CO)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000339701751 535308963 /nfs/dbraw/zinc/30/89/63/535308963.db2.gz NNTZADNGPFYVKZ-LJQANCHMSA-N 2 0 337.508 1.460 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@H]2C[C@@](C)(OC)C2(C)C)CC1 ZINC000089134893 138273164 /nfs/dbraw/zinc/27/31/64/138273164.db2.gz OPMBDCNAKYKQMI-MAUKXSAKSA-N 2 0 325.497 1.722 20 0 EDADRP CCc1nn(C)c(CC)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615916 138289857 /nfs/dbraw/zinc/28/98/57/138289857.db2.gz GKFUYVLQHHDNHD-UHFFFAOYSA-N 2 0 349.523 1.435 20 0 EDADRP COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)s1 ZINC000092747334 138290234 /nfs/dbraw/zinc/29/02/34/138290234.db2.gz KTMOWXVALNODOL-ZIAGYGMSSA-N 2 0 340.537 1.927 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106546289 138303116 /nfs/dbraw/zinc/30/31/16/138303116.db2.gz BDKVDJOSJQKSFK-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](c1cccc(F)c1)N1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000124932066 138330785 /nfs/dbraw/zinc/33/07/85/138330785.db2.gz OODADBVCABFQTD-PBHICJAKSA-N 2 0 335.423 1.362 20 0 EDADRP C[NH2+][C@@H](C)C(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000563634365 306343268 /nfs/dbraw/zinc/34/32/68/306343268.db2.gz CVPYTAUDLNIUOQ-KRWDZBQOSA-N 2 0 332.492 1.621 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3C[NH2+]CC[C@@H]3C)CC2)c1 ZINC000186760415 236010169 /nfs/dbraw/zinc/01/01/69/236010169.db2.gz JRDQGDUFVWAUKR-PKOBYXMFSA-N 2 0 344.503 1.621 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000417741055 296025242 /nfs/dbraw/zinc/02/52/42/296025242.db2.gz SUMAKXBVGKXSCI-RHSMWYFYSA-N 2 0 330.476 1.464 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccn(C)n1 ZINC000414108227 304100895 /nfs/dbraw/zinc/10/08/95/304100895.db2.gz JXSJTVLZXWMZRL-AWEZNQCLSA-N 2 0 335.496 1.697 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000072826291 216311979 /nfs/dbraw/zinc/31/19/79/216311979.db2.gz WAQRRFQQNZYZQG-UHFFFAOYSA-N 2 0 346.519 1.903 20 0 EDADRP CN(C)c1ncc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)n1C ZINC000414364371 304112307 /nfs/dbraw/zinc/11/23/07/304112307.db2.gz IUWUWAUWJWDBJP-UHFFFAOYSA-N 2 0 332.452 1.111 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cs1 ZINC000566011493 306396435 /nfs/dbraw/zinc/39/64/35/306396435.db2.gz UZEVSLUEKNVOJL-KGLIPLIRSA-N 2 0 348.447 1.740 20 0 EDADRP C[C@](O)(C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C(F)(F)F ZINC000566063514 306397297 /nfs/dbraw/zinc/39/72/97/306397297.db2.gz ZBTMSIAVVFTYTP-HNNXBMFYSA-N 2 0 346.397 1.497 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cnn(C(C)(C)C)c2)(N2CCOCC2)CC1 ZINC000414478040 304117941 /nfs/dbraw/zinc/11/79/41/304117941.db2.gz CZQSAPQXNMNLGM-UHFFFAOYSA-N 2 0 349.523 1.524 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000414694842 304128483 /nfs/dbraw/zinc/12/84/83/304128483.db2.gz GFEODWVBHCKWRQ-SJORKVTESA-N 2 0 342.443 1.014 20 0 EDADRP COc1ccccc1[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000414699973 304129424 /nfs/dbraw/zinc/12/94/24/304129424.db2.gz JZGOCYMABWPTBP-JKSUJKDBSA-N 2 0 331.460 1.682 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)c1 ZINC000414708975 304130696 /nfs/dbraw/zinc/13/06/96/304130696.db2.gz QQPRYKNROZHJAI-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000414710345 304131201 /nfs/dbraw/zinc/13/12/01/304131201.db2.gz SICHCEKSUTUHSU-HUUCEWRRSA-N 2 0 346.475 1.581 20 0 EDADRP C[N@H+](CCCOCc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414741359 304135625 /nfs/dbraw/zinc/13/56/25/304135625.db2.gz KSAUSJTUBVRSDF-GOSISDBHSA-N 2 0 333.476 1.722 20 0 EDADRP C[NH+]1CCC(NC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000109936248 220003508 /nfs/dbraw/zinc/00/35/08/220003508.db2.gz FYIFRUPXOKTQOW-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP CSc1cc2c(cc1C[NH2+]CCCN1CC[NH2+]CC1)OCCO2 ZINC000414780176 304139643 /nfs/dbraw/zinc/13/96/43/304139643.db2.gz KWSJCMQNCWWEGE-UHFFFAOYSA-N 2 0 337.489 1.565 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1OC ZINC000414809461 304143483 /nfs/dbraw/zinc/14/34/83/304143483.db2.gz UFGRPYLDLULKNF-CVEARBPZSA-N 2 0 349.475 1.817 20 0 EDADRP C[NH2+]C[C@H](C)C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000414832233 304145617 /nfs/dbraw/zinc/14/56/17/304145617.db2.gz FEHNDMSBNRXAEK-JTQLQIEISA-N 2 0 329.828 1.158 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCC(=O)N[C@H]1c1ccnn1C ZINC000415107833 304160974 /nfs/dbraw/zinc/16/09/74/304160974.db2.gz PHTDRUBTAVGBPB-BASYENTBSA-N 2 0 333.480 1.640 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000195133327 139007504 /nfs/dbraw/zinc/00/75/04/139007504.db2.gz TYEFSUDGTMEILM-FUHWJXTLSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]2CCC[N@@H+]2C[C@@H]1C ZINC000415145177 304164950 /nfs/dbraw/zinc/16/49/50/304164950.db2.gz VWZVVWHHOOPHTF-ZFWWWQNUSA-N 2 0 330.432 1.040 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOc2ccccc2)CC1 ZINC000195519170 139019524 /nfs/dbraw/zinc/01/95/24/139019524.db2.gz OYGJCMFLQYANHH-UHFFFAOYSA-N 2 0 333.476 1.845 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000236742613 139030133 /nfs/dbraw/zinc/03/01/33/139030133.db2.gz ZBVRCWJTRLJLDP-IBGZPJMESA-N 2 0 346.519 1.684 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000236750175 139030322 /nfs/dbraw/zinc/03/03/22/139030322.db2.gz OBNNKLIERKOVII-UHFFFAOYSA-N 2 0 333.480 1.227 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000236906814 139034870 /nfs/dbraw/zinc/03/48/70/139034870.db2.gz MCUXPYRNKBNNHD-GOSISDBHSA-N 2 0 333.476 1.913 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CC[NH2+]C2)CC1 ZINC000236955153 139036459 /nfs/dbraw/zinc/03/64/59/139036459.db2.gz FJTRQFJWRCZVLD-QGZVFWFLSA-N 2 0 330.476 1.050 20 0 EDADRP CC[C@H](NC(=O)[C@@H](C)C[NH2+]C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000237017390 139038241 /nfs/dbraw/zinc/03/82/41/139038241.db2.gz SMXLIMYCYAWUTN-SZMVWBNQSA-N 2 0 333.476 1.638 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000237164115 139042643 /nfs/dbraw/zinc/04/26/43/139042643.db2.gz JWGBXNCAJMCWFF-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])Cc2ccccc2)[NH+](C)C)c1 ZINC000237308105 139047245 /nfs/dbraw/zinc/04/72/45/139047245.db2.gz ZAILCBNISYILIR-RTBURBONSA-N 2 0 341.455 1.984 20 0 EDADRP COc1cc(CNC(=O)C2([NH3+])CCCCC2)ccc1OCC[NH+](C)C ZINC000237335451 139048448 /nfs/dbraw/zinc/04/84/48/139048448.db2.gz WQJBNWUTCZRWFS-UHFFFAOYSA-N 2 0 349.475 1.913 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@@H](C)O1 ZINC000237398914 139049943 /nfs/dbraw/zinc/04/99/43/139049943.db2.gz CJHYMDLFRRHHLA-HZPDHXFCSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237430136 139050861 /nfs/dbraw/zinc/05/08/61/139050861.db2.gz JLHNKJGHQVKIEU-RHSMWYFYSA-N 2 0 348.466 1.897 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)cc1 ZINC000415193770 304173548 /nfs/dbraw/zinc/17/35/48/304173548.db2.gz MPVUHVUJWUQZSQ-QGZVFWFLSA-N 2 0 344.459 1.478 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1cn(C2CC[NH2+]CC2)nn1 ZINC000238123186 139069229 /nfs/dbraw/zinc/06/92/29/139069229.db2.gz WFQMWMAVQXTKCO-UHFFFAOYSA-N 2 0 334.468 1.245 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000567683147 306459055 /nfs/dbraw/zinc/45/90/55/306459055.db2.gz IMAZIHRSMPRSIE-KRWDZBQOSA-N 2 0 337.895 1.570 20 0 EDADRP C[C@@H]1OCC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949700 139091056 /nfs/dbraw/zinc/09/10/56/139091056.db2.gz OZBBZWBIDUWTOD-BMGDILEWSA-N 2 0 331.460 1.651 20 0 EDADRP COc1ccccc1COC[C@H](O)C[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000246702142 139117949 /nfs/dbraw/zinc/11/79/49/139117949.db2.gz CBDQDNQPHZRAQH-SJLPKXTDSA-N 2 0 336.476 1.846 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C(=O)N[C@H]1CC[NH2+]C1 ZINC000415320329 304194059 /nfs/dbraw/zinc/19/40/59/304194059.db2.gz BIIKPSHQDARPCB-INIZCTEOSA-N 2 0 330.432 1.089 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[NH2+]C[C@H]2C)c1 ZINC000415345424 304199352 /nfs/dbraw/zinc/19/93/52/304199352.db2.gz POZRYIHKKAEQBO-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2cccc(C(C)=O)c2)C1 ZINC000247118085 139136396 /nfs/dbraw/zinc/13/63/96/139136396.db2.gz FMYIXEDNQCQMFJ-FUHWJXTLSA-N 2 0 334.460 1.903 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415369988 304206405 /nfs/dbraw/zinc/20/64/05/304206405.db2.gz CZOMLYRNEUFUQX-CQSZACIVSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)C1 ZINC000415379309 304208960 /nfs/dbraw/zinc/20/89/60/304208960.db2.gz JDSQTSAIZBMFAV-AWEZNQCLSA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000360424106 284756993 /nfs/dbraw/zinc/75/69/93/284756993.db2.gz IYUOXVVLECNLHQ-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCN1CCO ZINC000249526577 139195029 /nfs/dbraw/zinc/19/50/29/139195029.db2.gz YRHRYKFJHXNSML-FUHWJXTLSA-N 2 0 331.460 1.176 20 0 EDADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261627875 139212374 /nfs/dbraw/zinc/21/23/74/139212374.db2.gz BMKPWMQVZNEPFF-OIISXLGYSA-N 2 0 344.459 1.450 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)c1ccccc1 ZINC000261699903 139218710 /nfs/dbraw/zinc/21/87/10/139218710.db2.gz OODGJJUZPLTWQX-IEBWSBKVSA-N 2 0 333.476 1.812 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[NH2+]C[C@@H]2c2cccnc2)CC1 ZINC000261730005 139221268 /nfs/dbraw/zinc/22/12/68/139221268.db2.gz LUMMQZOLEIXEBY-GOSISDBHSA-N 2 0 345.491 1.017 20 0 EDADRP COCC[N@@H+]1CCCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000261760560 139223768 /nfs/dbraw/zinc/22/37/68/139223768.db2.gz VSMWYPXCJPKFQR-KRWDZBQOSA-N 2 0 344.459 1.218 20 0 EDADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261788510 139226178 /nfs/dbraw/zinc/22/61/78/139226178.db2.gz YONQUYCFTKHICH-SJLPKXTDSA-N 2 0 330.476 1.186 20 0 EDADRP C[C@]1(C[NH3+])CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831258 139229728 /nfs/dbraw/zinc/22/97/28/139229728.db2.gz YTOSWXAIJWCUQS-LJQANCHMSA-N 2 0 348.466 1.535 20 0 EDADRP COCC1(C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]CC1 ZINC000261834694 139230103 /nfs/dbraw/zinc/23/01/03/139230103.db2.gz IFNNKWPKVOOCDE-UHFFFAOYSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC(C)(C)[NH3+])cc2)C1 ZINC000415460297 304223575 /nfs/dbraw/zinc/22/35/75/304223575.db2.gz AAAGYWAVSSIBOU-CQSZACIVSA-N 2 0 346.475 1.711 20 0 EDADRP CN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000261878200 139233368 /nfs/dbraw/zinc/23/33/68/139233368.db2.gz TUDCEDLRLMEQNY-NVXWUHKLSA-N 2 0 333.480 1.181 20 0 EDADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1ccccc1Cl ZINC000261882568 139233786 /nfs/dbraw/zinc/23/37/86/139233786.db2.gz MRWNATZAGNVPTE-AWEZNQCLSA-N 2 0 336.867 1.648 20 0 EDADRP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000261963546 139240361 /nfs/dbraw/zinc/24/03/61/139240361.db2.gz ACRCHQHYDZIAGG-JTQLQIEISA-N 2 0 338.374 1.085 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000414858705 250867105 /nfs/dbraw/zinc/86/71/05/250867105.db2.gz KSIOLRGXWRAOSJ-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[NH+]1CCC(C)CC1 ZINC000262131249 139253519 /nfs/dbraw/zinc/25/35/19/139253519.db2.gz GNSXXIMJSPQKGY-INIZCTEOSA-N 2 0 333.480 1.198 20 0 EDADRP C[C@H]([NH3+])C1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000262143025 139254602 /nfs/dbraw/zinc/25/46/02/139254602.db2.gz XZYWTJDZGRZFGM-ZDUSSCGKSA-N 2 0 325.478 1.496 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCCO2)N1CC[NH2+]CC1 ZINC000262176034 139257437 /nfs/dbraw/zinc/25/74/37/139257437.db2.gz QQSIWVNIHYTPLM-INIZCTEOSA-N 2 0 345.443 1.417 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000415761240 251021565 /nfs/dbraw/zinc/02/15/65/251021565.db2.gz UDFDNWBZLHTDNX-UHFFFAOYSA-N 2 0 330.436 1.438 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NCCC[NH2+]C3CC3)ccc21 ZINC000415855992 251034072 /nfs/dbraw/zinc/03/40/72/251034072.db2.gz DFSFOJOTJVKBPL-QGZVFWFLSA-N 2 0 344.459 1.432 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc(OCC[NH3+])cc3)CC[C@@H]21 ZINC000415945794 251037109 /nfs/dbraw/zinc/03/71/09/251037109.db2.gz LOTZUXOIUXZXBD-YOEHRIQHSA-N 2 0 332.448 1.972 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@H]2C)c1 ZINC000415968660 251040117 /nfs/dbraw/zinc/04/01/17/251040117.db2.gz XWXFCYCPZYWZRB-CQSZACIVSA-N 2 0 334.464 1.715 20 0 EDADRP CCC[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000262236685 139262538 /nfs/dbraw/zinc/26/25/38/139262538.db2.gz VVAYSHLPWYFVSS-MRXNPFEDSA-N 2 0 347.459 1.360 20 0 EDADRP [NH3+]CC1(C(=O)N2CCCN(Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000262296822 139267663 /nfs/dbraw/zinc/26/76/63/139267663.db2.gz PEGGANAGJCKDTP-UHFFFAOYSA-N 2 0 349.450 1.616 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)c1ccsc1 ZINC000417007563 251128153 /nfs/dbraw/zinc/12/81/53/251128153.db2.gz LDCFSYPCNQIBIB-XHSDSOJGSA-N 2 0 336.505 1.992 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417012435 251131373 /nfs/dbraw/zinc/13/13/73/251131373.db2.gz AMPDAVIMYACXCN-MJGOQNOKSA-N 2 0 342.487 1.686 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CCC[NH2+]C1 ZINC000417014497 251132048 /nfs/dbraw/zinc/13/20/48/251132048.db2.gz DLJPEJJDDBFMEJ-INIZCTEOSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417021861 251136350 /nfs/dbraw/zinc/13/63/50/251136350.db2.gz NTPKXIIHQMPFDJ-FUHWJXTLSA-N 2 0 347.507 1.402 20 0 EDADRP [NH3+]CC1(C(=O)NCc2nccn2CCc2ccccc2)CCOCC1 ZINC000262328925 139270571 /nfs/dbraw/zinc/27/05/71/139270571.db2.gz SBCVDIIWRAEZBO-UHFFFAOYSA-N 2 0 342.443 1.498 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000262437519 139279030 /nfs/dbraw/zinc/27/90/30/139279030.db2.gz SJLCJMYNMRFNRD-LPHOPBHVSA-N 2 0 344.503 1.438 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccc(F)cc1 ZINC000417830137 251287966 /nfs/dbraw/zinc/28/79/66/251287966.db2.gz RNJFDBVZUDVSIM-CYBMUJFWSA-N 2 0 332.370 1.539 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000417840180 251293829 /nfs/dbraw/zinc/29/38/29/251293829.db2.gz RUZDMCFXEJRAJY-IUPBHXKESA-N 2 0 326.238 1.429 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cn[nH]c1[C@@H]1CCC[NH2+]C1 ZINC000417792660 251272408 /nfs/dbraw/zinc/27/24/08/251272408.db2.gz JOALFKGRQFQYGQ-CYBMUJFWSA-N 2 0 325.416 1.775 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000262484317 139281602 /nfs/dbraw/zinc/28/16/02/139281602.db2.gz YJWJLKRQWCJXTO-QZTJIDSGSA-N 2 0 331.460 1.402 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417801794 251276985 /nfs/dbraw/zinc/27/69/85/251276985.db2.gz DDUGOUHYJRIQIR-GDBMZVCRSA-N 2 0 326.485 1.173 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417820373 251282937 /nfs/dbraw/zinc/28/29/37/251282937.db2.gz YALRGJMZLTUOOJ-INIZCTEOSA-N 2 0 340.512 1.707 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417816748 251283142 /nfs/dbraw/zinc/28/31/42/251283142.db2.gz UXWUXCZXVVLNTF-DYTRIANISA-N 2 0 331.464 1.513 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418109260 251325406 /nfs/dbraw/zinc/32/54/06/251325406.db2.gz TWQNOHGEUKJAPO-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122814 251334981 /nfs/dbraw/zinc/33/49/81/251334981.db2.gz YITFDDUZAPPRFK-DOTOQJQBSA-N 2 0 326.485 1.176 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418430233 251367689 /nfs/dbraw/zinc/36/76/89/251367689.db2.gz OWCFAIMAZSAVBX-MRXNPFEDSA-N 2 0 334.464 1.221 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000418434589 251370962 /nfs/dbraw/zinc/37/09/62/251370962.db2.gz FHELPYMGGDNELY-IRXDYDNUSA-N 2 0 339.528 1.171 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000262546404 139285665 /nfs/dbraw/zinc/28/56/65/139285665.db2.gz ODBAPIIKCCRCFI-HNNXBMFYSA-N 2 0 339.505 1.797 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418160243 251350330 /nfs/dbraw/zinc/35/03/30/251350330.db2.gz DZTGSSAWUIXBHG-AWEZNQCLSA-N 2 0 334.464 1.696 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H](C)[C@H](C[NH3+])C2)CC[NH+](C)CC1 ZINC000418196741 251355034 /nfs/dbraw/zinc/35/50/34/251355034.db2.gz IEXHXGSCRMVOJA-ZIAGYGMSSA-N 2 0 328.526 1.440 20 0 EDADRP CC[NH2+]CCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418318279 251359233 /nfs/dbraw/zinc/35/92/33/251359233.db2.gz OXNNOJFOUVNPGZ-MSOLQXFVSA-N 2 0 330.476 1.759 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418346192 251361579 /nfs/dbraw/zinc/36/15/79/251361579.db2.gz UIVDOHOAYNIKDZ-QGZVFWFLSA-N 2 0 333.480 1.545 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CCCC1 ZINC000418623274 251380945 /nfs/dbraw/zinc/38/09/45/251380945.db2.gz NURQFYFCCNPLKA-KRWDZBQOSA-N 2 0 338.496 1.258 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262655778 139293533 /nfs/dbraw/zinc/29/35/33/139293533.db2.gz UJUDSFBFKLGULG-PKOBYXMFSA-N 2 0 346.519 1.856 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[NH2+]CC3CC3)c2)CC1 ZINC000262649164 139292939 /nfs/dbraw/zinc/29/29/39/139292939.db2.gz KXJSNWCZPXDVSB-UHFFFAOYSA-N 2 0 344.459 1.322 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666735 139294784 /nfs/dbraw/zinc/29/47/84/139294784.db2.gz KRGBSIKRLHWDJN-MSOLQXFVSA-N 2 0 333.476 1.676 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@H]3CCCC[NH2+]3)c2)CC1 ZINC000262676327 139295533 /nfs/dbraw/zinc/29/55/33/139295533.db2.gz UGNRDOCEJHQTMW-QGZVFWFLSA-N 2 0 344.459 1.465 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000262678813 139295791 /nfs/dbraw/zinc/29/57/91/139295791.db2.gz VAAHSVAUOKMPDD-INIZCTEOSA-N 2 0 334.464 1.680 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)ccc1C[NH+](C)C ZINC000415587997 304233827 /nfs/dbraw/zinc/23/38/27/304233827.db2.gz ZLZKRIBXRKRZLZ-DZGCQCFKSA-N 2 0 332.448 1.191 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262701071 139297405 /nfs/dbraw/zinc/29/74/05/139297405.db2.gz IEGHNSAZGSZISW-KXBFYZLASA-N 2 0 346.475 1.840 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)CC(F)(F)F)CC[NH2+]CC1 ZINC000423010678 252026377 /nfs/dbraw/zinc/02/63/77/252026377.db2.gz HBAZKEZXZGMFBT-WDEREUQCSA-N 2 0 326.359 1.211 20 0 EDADRP OC[C@@H](C[NH2+]C1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000423069984 252033225 /nfs/dbraw/zinc/03/32/25/252033225.db2.gz BYJBWUGTCJRDKE-CYBMUJFWSA-N 2 0 327.266 1.942 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCN(C)S(=O)(=O)c1ccc(F)cc1 ZINC000423093002 252036250 /nfs/dbraw/zinc/03/62/50/252036250.db2.gz FDPDPSSFRZAGEE-CZUORRHYSA-N 2 0 343.468 1.424 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000423155782 252039669 /nfs/dbraw/zinc/03/96/69/252039669.db2.gz QYMXMIJEKRZQHZ-CJNGLKHVSA-N 2 0 325.478 1.415 20 0 EDADRP C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423180966 252043535 /nfs/dbraw/zinc/04/35/35/252043535.db2.gz LAFMKPUABNFQDR-KXBFYZLASA-N 2 0 344.503 1.614 20 0 EDADRP COc1cc(F)c([C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1OC ZINC000423182580 252043704 /nfs/dbraw/zinc/04/37/04/252043704.db2.gz QJQBMUJXHIVKTE-CYBMUJFWSA-N 2 0 325.428 1.789 20 0 EDADRP CC[C@H](NCc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@H]1CCCC[NH2+]1 ZINC000422907972 252018359 /nfs/dbraw/zinc/01/83/59/252018359.db2.gz CMUCODGUHBQUHW-RBUKOAKNSA-N 2 0 346.519 1.988 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422911335 252019547 /nfs/dbraw/zinc/01/95/47/252019547.db2.gz KLKXOBXIKURFQU-IEBWSBKVSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423794723 252076951 /nfs/dbraw/zinc/07/69/51/252076951.db2.gz YFXGULFHNIHYJM-VQIMIIECSA-N 2 0 328.460 1.804 20 0 EDADRP C[C@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]C1 ZINC000423798718 252079784 /nfs/dbraw/zinc/07/97/84/252079784.db2.gz OUMGXQVYOLJCTH-IBGZPJMESA-N 2 0 337.508 1.727 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000424154839 252147144 /nfs/dbraw/zinc/14/71/44/252147144.db2.gz MFBVIVUWZJXTSF-GJZGRUSLSA-N 2 0 334.468 1.053 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000424433060 252228329 /nfs/dbraw/zinc/22/83/29/252228329.db2.gz HZVYBPVGOXCYHX-HNNXBMFYSA-N 2 0 332.448 1.640 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424439698 252231061 /nfs/dbraw/zinc/23/10/61/252231061.db2.gz OSODKHXUXPTFPK-DZGCQCFKSA-N 2 0 346.475 1.629 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)c1 ZINC000424473324 252243928 /nfs/dbraw/zinc/24/39/28/252243928.db2.gz WCTRMLJLKLENQM-HNNXBMFYSA-N 2 0 346.475 1.773 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000424475455 252245927 /nfs/dbraw/zinc/24/59/27/252245927.db2.gz JTUWFIDHJIOUMD-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000426159570 252318758 /nfs/dbraw/zinc/31/87/58/252318758.db2.gz GBGNOSCILSRCOW-SFHVURJKSA-N 2 0 338.540 1.737 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000415618428 304240221 /nfs/dbraw/zinc/24/02/21/304240221.db2.gz RIHZHDYIRQGKQJ-CJNGLKHVSA-N 2 0 332.448 1.109 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C)[C@H](C(C)C)C1 ZINC000362845389 285022119 /nfs/dbraw/zinc/02/21/19/285022119.db2.gz ZRZYIOYMMILBRL-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000345020870 285022703 /nfs/dbraw/zinc/02/27/03/285022703.db2.gz OICBGXQNDIPLRJ-ZACQAIPSSA-N 2 0 338.496 1.365 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000112464674 220333554 /nfs/dbraw/zinc/33/35/54/220333554.db2.gz APGXSPHWVRFPRM-INIZCTEOSA-N 2 0 328.501 1.110 20 0 EDADRP CN(CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C(=O)C1C[NH2+]C1 ZINC000263347229 139337256 /nfs/dbraw/zinc/33/72/56/139337256.db2.gz ZNWFTDHCJBTFCU-GOSISDBHSA-N 2 0 331.460 1.110 20 0 EDADRP COc1ccc([C@H]2CCCC[C@@H]2[NH2+]CC(=O)N2CC[NH2+]CC2)cc1F ZINC000570321011 306537152 /nfs/dbraw/zinc/53/71/52/306537152.db2.gz XKPWDSPAZPFKBJ-WBVHZDCISA-N 2 0 349.450 1.882 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000495412970 255283223 /nfs/dbraw/zinc/28/32/23/255283223.db2.gz OKXXZHNFXFGUCV-GJZGRUSLSA-N 2 0 327.469 1.432 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164424 255359869 /nfs/dbraw/zinc/35/98/69/255359869.db2.gz BPADJVTVHSDICV-YJBOKZPZSA-N 2 0 343.512 1.972 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496238670 255368747 /nfs/dbraw/zinc/36/87/47/255368747.db2.gz MGTKAYFXLPNIFX-ZDUSSCGKSA-N 2 0 327.473 1.357 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417750185 285321375 /nfs/dbraw/zinc/32/13/75/285321375.db2.gz KFDQCQMXJVGQBU-IXDOHACOSA-N 2 0 339.528 1.077 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415842411 304280091 /nfs/dbraw/zinc/28/00/91/304280091.db2.gz PBVUWZVKBPHRLM-KRWDZBQOSA-N 2 0 346.475 1.363 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000296176966 258010980 /nfs/dbraw/zinc/01/09/80/258010980.db2.gz MQSDQNLDKVKAQX-QZTJIDSGSA-N 2 0 346.475 1.321 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)c1 ZINC000415928522 304285816 /nfs/dbraw/zinc/28/58/16/304285816.db2.gz FQTRMZDFYIOAJO-QGZVFWFLSA-N 2 0 334.464 1.764 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000271145517 140245811 /nfs/dbraw/zinc/24/58/11/140245811.db2.gz TURLXYMJNUCZMZ-MJGOQNOKSA-N 2 0 345.487 1.736 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CCCCC1 ZINC000331424604 141024491 /nfs/dbraw/zinc/02/44/91/141024491.db2.gz LLBGDCBTUMPRCM-INIZCTEOSA-N 2 0 338.496 1.402 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000332027161 141112711 /nfs/dbraw/zinc/11/27/11/141112711.db2.gz NHTUSQRXELYCDL-MRXNPFEDSA-N 2 0 347.459 1.216 20 0 EDADRP C[C@@]1(CNC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000333162237 141274043 /nfs/dbraw/zinc/27/40/43/141274043.db2.gz GOTZKYGRYREVCU-CRAIPNDOSA-N 2 0 338.496 1.176 20 0 EDADRP CN1CCO[C@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC000333221843 141283121 /nfs/dbraw/zinc/28/31/21/141283121.db2.gz DUYJXSNGBMIAMD-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000333349025 141303427 /nfs/dbraw/zinc/30/34/27/141303427.db2.gz RDXXOQNOGUPCGD-UONOGXRCSA-N 2 0 332.448 1.251 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC[N@@H+]1C ZINC000333387125 141309952 /nfs/dbraw/zinc/30/99/52/141309952.db2.gz WXYUTMXNRVTANK-XPKDYRNWSA-N 2 0 331.464 1.844 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333416094 141314507 /nfs/dbraw/zinc/31/45/07/141314507.db2.gz RWZIDKNCJSPMAQ-BZSNNMDCSA-N 2 0 331.460 1.740 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333501430 141327532 /nfs/dbraw/zinc/32/75/32/141327532.db2.gz DJFXIZKVZNUXRU-SJORKVTESA-N 2 0 343.475 1.549 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000333593916 141342077 /nfs/dbraw/zinc/34/20/77/141342077.db2.gz OSZBXQMBUCIVJN-HZPDHXFCSA-N 2 0 327.432 1.865 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333630020 141347651 /nfs/dbraw/zinc/34/76/51/141347651.db2.gz ASTLWJMYLHRTHU-LMMKCTJWSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@@H]1C ZINC000333868594 141397773 /nfs/dbraw/zinc/39/77/73/141397773.db2.gz BGRSVOJRHTXDDU-HUUCEWRRSA-N 2 0 331.464 1.438 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CSC1(C)C ZINC000338812434 141887157 /nfs/dbraw/zinc/88/71/57/141887157.db2.gz UGJYUANTNCJXPL-AWEZNQCLSA-N 2 0 330.542 1.795 20 0 EDADRP O=C(Cc1ccccc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000340115729 142270329 /nfs/dbraw/zinc/27/03/29/142270329.db2.gz HYIUHNKPGMGKNC-UHFFFAOYSA-N 2 0 338.455 1.953 20 0 EDADRP CS(=O)(=O)CC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000340235513 142315232 /nfs/dbraw/zinc/31/52/32/142315232.db2.gz HCFBKFQXGQOXEJ-JCYILVPMSA-N 2 0 346.537 1.416 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000340347065 142352610 /nfs/dbraw/zinc/35/26/10/142352610.db2.gz GLFATQFDSSZLSF-CVEARBPZSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343023845 142788112 /nfs/dbraw/zinc/78/81/12/142788112.db2.gz KCYGECSTSBMLIB-VKJFTORMSA-N 2 0 340.512 1.070 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000344882642 143023221 /nfs/dbraw/zinc/02/32/21/143023221.db2.gz ACKWGIYBYGZEDN-IRXDYDNUSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC[N@@H+]1C ZINC000345294402 143074320 /nfs/dbraw/zinc/07/43/20/143074320.db2.gz BQNHUQZVJRGRHN-HUUCEWRRSA-N 2 0 331.464 1.046 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000346211790 143179346 /nfs/dbraw/zinc/17/93/46/143179346.db2.gz WIPOOTPONKDXPI-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346819213 143248750 /nfs/dbraw/zinc/24/87/50/143248750.db2.gz ICLMLZACXZWGKX-WBVHZDCISA-N 2 0 325.497 1.581 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000346979665 143268020 /nfs/dbraw/zinc/26/80/20/143268020.db2.gz MYQJNWNTTSZSHJ-SJLPKXTDSA-N 2 0 339.524 1.972 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C ZINC000347241644 143299153 /nfs/dbraw/zinc/29/91/53/143299153.db2.gz DPRAMHXWDJQPAU-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000347931358 143380628 /nfs/dbraw/zinc/38/06/28/143380628.db2.gz SFWRFGLYJQBQQU-QZTJIDSGSA-N 2 0 346.475 1.469 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369680746 155134460 /nfs/dbraw/zinc/13/44/60/155134460.db2.gz XOADAYWYLVHLHX-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NCC[N@H+](C)C(C)C)CC1 ZINC000341088560 143846504 /nfs/dbraw/zinc/84/65/04/143846504.db2.gz NQIVCXBMOWTUEX-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000369742645 155157628 /nfs/dbraw/zinc/15/76/28/155157628.db2.gz SOTPMYAHJRIAGY-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)(N2CCOCC2)C1 ZINC000193394853 286012597 /nfs/dbraw/zinc/01/25/97/286012597.db2.gz LZKSNUUQOAGRRI-VEZWFGLTSA-N 2 0 325.497 1.329 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000416841638 304350675 /nfs/dbraw/zinc/35/06/75/304350675.db2.gz MCXKNVHHAFQJBJ-QGZVFWFLSA-N 2 0 347.507 1.101 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@H](C[NH3+])C1 ZINC000416855839 304351988 /nfs/dbraw/zinc/35/19/88/304351988.db2.gz YQMBVVOBMHJTKV-HOTGVXAUSA-N 2 0 340.512 1.789 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000341070494 149062900 /nfs/dbraw/zinc/06/29/00/149062900.db2.gz QGFBNLSNXKJNBM-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP Cc1cccc2nc(C[N@H+](C)CCCN3CC[NH+](C)CC3)cc(=O)n12 ZINC000352774477 149159933 /nfs/dbraw/zinc/15/99/33/149159933.db2.gz WFPFIHYKCLYBEK-UHFFFAOYSA-N 2 0 343.475 1.072 20 0 EDADRP CC(C)[NH+]1CCC[C@@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)C1 ZINC000352827097 149184337 /nfs/dbraw/zinc/18/43/37/149184337.db2.gz MAPNQXJRRPJUDL-IKGGRYGDSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1[nH]nc2ncc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)cc12 ZINC000353285280 149351430 /nfs/dbraw/zinc/35/14/30/149351430.db2.gz HDSYPCCOOCLYIX-OAHLLOKOSA-N 2 0 329.448 1.811 20 0 EDADRP C[C@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)CCN1C1CC[NH+](C)CC1 ZINC000353937165 149578934 /nfs/dbraw/zinc/57/89/34/149578934.db2.gz GTJOYKTVJUESMW-QFBILLFUSA-N 2 0 348.535 1.488 20 0 EDADRP CCOCC[C@@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000444683723 286127325 /nfs/dbraw/zinc/12/73/25/286127325.db2.gz ZGQZEZXUFDSPSJ-UJJTZGENSA-N 2 0 325.497 1.017 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416972749 304358102 /nfs/dbraw/zinc/35/81/02/304358102.db2.gz SUZVJAJKLURKBV-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000416980730 304360922 /nfs/dbraw/zinc/36/09/22/304360922.db2.gz BSMAQHIQGNYXAJ-HNNXBMFYSA-N 2 0 336.480 1.896 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355240436 150180349 /nfs/dbraw/zinc/18/03/49/150180349.db2.gz RRXWJTNQGAJLJV-LJQANCHMSA-N 2 0 347.503 1.935 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267490 150192398 /nfs/dbraw/zinc/19/23/98/150192398.db2.gz DISGRMZXPKREQB-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1=O ZINC000355335351 150223223 /nfs/dbraw/zinc/22/32/23/150223223.db2.gz PHRHBENPJPQHNS-MRXNPFEDSA-N 2 0 334.464 1.613 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417028782 304362037 /nfs/dbraw/zinc/36/20/37/304362037.db2.gz BVJQEESQOOCJGG-MHORFTMASA-N 2 0 336.524 1.995 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000355442232 150269873 /nfs/dbraw/zinc/26/98/73/150269873.db2.gz LKUPVQIYGDMBFE-KBPBESRZSA-N 2 0 334.489 1.756 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000370023676 155286891 /nfs/dbraw/zinc/28/68/91/155286891.db2.gz ZFOQERMYBSCDLH-QGZVFWFLSA-N 2 0 330.476 1.457 20 0 EDADRP C[C@@H](C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1)C1C[NH2+]C1 ZINC000357372898 151010451 /nfs/dbraw/zinc/01/04/51/151010451.db2.gz KHUFHVLLTHWTMM-GFCCVEGCSA-N 2 0 325.403 1.711 20 0 EDADRP CSC1(CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC[NH+](C)CC1 ZINC000357610247 151083833 /nfs/dbraw/zinc/08/38/33/151083833.db2.gz SMFOAZNLUUJOGP-HNNXBMFYSA-N 2 0 342.553 1.845 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)C3=CC[N@H+](C)CC3)C2)CC1 ZINC000358094984 151268160 /nfs/dbraw/zinc/26/81/60/151268160.db2.gz LMTVYJNPZGGMOM-SJLPKXTDSA-N 2 0 349.523 1.058 20 0 EDADRP COCC1(CNC(=O)NCc2cccc(C[NH+](C)C)c2)CC[NH2+]CC1 ZINC000417077625 304370444 /nfs/dbraw/zinc/37/04/44/304370444.db2.gz XSEIZSHQLPJTIM-UHFFFAOYSA-N 2 0 348.491 1.564 20 0 EDADRP COc1ccccc1[C@H](C)NC(=O)[C@@H](C)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360549608 152091003 /nfs/dbraw/zinc/09/10/03/152091003.db2.gz GMNMMHQESFCROG-KHYOSLBOSA-N 2 0 331.460 1.946 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360742717 152180329 /nfs/dbraw/zinc/18/03/29/152180329.db2.gz AIXOKIGNPYLCBL-GDBMZVCRSA-N 2 0 328.526 1.549 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000360889935 152242873 /nfs/dbraw/zinc/24/28/73/152242873.db2.gz VOJOMSBQLZNXIJ-BBWFWOEESA-N 2 0 342.528 1.593 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)NCC[N@H+](C)C3CC3)CCC[NH+]2C)cn1 ZINC000361069014 152294577 /nfs/dbraw/zinc/29/45/77/152294577.db2.gz RROUABUNHDNYHZ-RHSMWYFYSA-N 2 0 348.495 1.196 20 0 EDADRP C[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)CS(C)(=O)=O ZINC000363946245 153104553 /nfs/dbraw/zinc/10/45/53/153104553.db2.gz CCCFDIXMXOOXGY-HNNXBMFYSA-N 2 0 332.510 1.101 20 0 EDADRP CC[N@H+](CCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC1 ZINC000364203194 153171519 /nfs/dbraw/zinc/17/15/19/153171519.db2.gz YXYYNZKBWKDCGA-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]CC1(CC(=O)N2CC[NH+]([C@H]3CCSC3)CC2)CCCCC1 ZINC000364250940 153187392 /nfs/dbraw/zinc/18/73/92/153187392.db2.gz ODJXVDLBEIOKPS-HNNXBMFYSA-N 2 0 325.522 1.935 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417198291 304383766 /nfs/dbraw/zinc/38/37/66/304383766.db2.gz RBWQJFIDLBRROL-HUUCEWRRSA-N 2 0 340.418 1.456 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@]2(F)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000364866748 153355578 /nfs/dbraw/zinc/35/55/78/153355578.db2.gz AVIQPIYHKQVAJU-FUHWJXTLSA-N 2 0 335.423 1.650 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417243174 304387233 /nfs/dbraw/zinc/38/72/33/304387233.db2.gz VGNWLMMMJFLUNU-KRWDZBQOSA-N 2 0 333.480 1.592 20 0 EDADRP CNS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367588726 154190137 /nfs/dbraw/zinc/19/01/37/154190137.db2.gz NPAUENKKTOCIMH-GVDBMIGSSA-N 2 0 337.489 1.557 20 0 EDADRP COC(=O)[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C1CC1 ZINC000367600265 154195355 /nfs/dbraw/zinc/19/53/55/154195355.db2.gz JDSIBGYVXZDPPM-MSOLQXFVSA-N 2 0 337.508 1.534 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367625417 154204264 /nfs/dbraw/zinc/20/42/64/154204264.db2.gz XYVWPAUDOPJHJF-OKZBNKHCSA-N 2 0 330.476 1.881 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+](CC)C[C@H]3C)C2)no1 ZINC000367703462 154236930 /nfs/dbraw/zinc/23/69/30/154236930.db2.gz YNAGIBYYHSXCLX-PMPSAXMXSA-N 2 0 335.496 1.916 20 0 EDADRP Cc1nccn1CCC[N@@H+](C)Cc1cnc(-c2cnn(C)c2)nc1 ZINC000368038017 154380788 /nfs/dbraw/zinc/38/07/88/154380788.db2.gz BNVFPSVCCNBZMM-UHFFFAOYSA-N 2 0 325.420 1.904 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000417340112 304392679 /nfs/dbraw/zinc/39/26/79/304392679.db2.gz AAXWKRYSSKNAEU-GVDBMIGSSA-N 2 0 346.475 1.506 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000417374089 304395266 /nfs/dbraw/zinc/39/52/66/304395266.db2.gz YXVKIIUHJVVOSB-UHFFFAOYSA-N 2 0 334.464 1.696 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000574881457 306658871 /nfs/dbraw/zinc/65/88/71/306658871.db2.gz VMMGHHLJYJDPLV-AEFFLSMTSA-N 2 0 341.459 1.060 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000371908121 156163004 /nfs/dbraw/zinc/16/30/04/156163004.db2.gz ZNUCUKKQLIAMHZ-JQHSSLGASA-N 2 0 337.508 1.412 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2CN3CCCC[C@H]3CO2)C1 ZINC000372341783 156344309 /nfs/dbraw/zinc/34/43/09/156344309.db2.gz IWMMNFWQHWPXHW-IXDOHACOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C[C@@H](C)O1 ZINC000374146902 157164943 /nfs/dbraw/zinc/16/49/43/157164943.db2.gz YGBKFTPXFPKFCL-HZPDHXFCSA-N 2 0 337.508 1.676 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC12CCOCC2 ZINC000575310832 306667985 /nfs/dbraw/zinc/66/79/85/306667985.db2.gz BFTBYPXFYLDLAP-SFHVURJKSA-N 2 0 343.471 1.202 20 0 EDADRP C[N@H+](C[C@H]1CC12CC[NH+](CCCN1C(=O)CNC1=O)CC2)C1CC1 ZINC000374284575 157225705 /nfs/dbraw/zinc/22/57/05/157225705.db2.gz AMAGAYVWYRYIKZ-CQSZACIVSA-N 2 0 334.464 1.125 20 0 EDADRP CC(C)c1nccn1CCC(=O)N1CCN[C@@H](c2cccnc2)C1 ZINC000374388291 157272039 /nfs/dbraw/zinc/27/20/39/157272039.db2.gz QOKMLBNRJVATHO-MRXNPFEDSA-N 2 0 327.432 1.965 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000374585108 157336970 /nfs/dbraw/zinc/33/69/70/157336970.db2.gz NUPVTVUSXINVKM-MJGOQNOKSA-N 2 0 345.487 1.769 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1OC[C@H]2CCC[C@@H]12 ZINC000377934908 158033660 /nfs/dbraw/zinc/03/36/60/158033660.db2.gz CKEJUTCOHWKNMH-BRWVUGGUSA-N 2 0 325.497 1.534 20 0 EDADRP CC(C)OCCN1CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000377970940 158043080 /nfs/dbraw/zinc/04/30/80/158043080.db2.gz QYSCIZXDFRLLEJ-GOSISDBHSA-N 2 0 343.487 1.768 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]([NH3+])c3ccccc3)CC2)C1 ZINC000378200729 158106490 /nfs/dbraw/zinc/10/64/90/158106490.db2.gz MGJZYAJBWLAPKT-ROUUACIJSA-N 2 0 330.476 1.315 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)C[C@@H]3CCC[NH2+]3)CCCCCC2)CC1 ZINC000378203425 158108116 /nfs/dbraw/zinc/10/81/16/158108116.db2.gz QXVFNKVHQAEXJM-KRWDZBQOSA-N 2 0 336.524 1.585 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000417905784 304429763 /nfs/dbraw/zinc/42/97/63/304429763.db2.gz DBFWTJMIOODYJB-BZUAXINKSA-N 2 0 326.485 1.037 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000417994720 304443374 /nfs/dbraw/zinc/44/33/74/304443374.db2.gz AAAFXWOFHJAEOA-BZUAXINKSA-N 2 0 326.485 1.032 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000344059342 287146682 /nfs/dbraw/zinc/14/66/82/287146682.db2.gz LQKARUIAHJHECO-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[NH+]1CCCCC1 ZINC000073536532 287261146 /nfs/dbraw/zinc/26/11/46/287261146.db2.gz CEVBQHGCXZMMCQ-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000073827301 287265238 /nfs/dbraw/zinc/26/52/38/287265238.db2.gz CTKVVEXLDOSALS-HZPDHXFCSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3([NH3+])CCCCC3)ccc2oc1=O ZINC000166619737 226164105 /nfs/dbraw/zinc/16/41/05/226164105.db2.gz GRMOKRPVIOTHDQ-UHFFFAOYSA-N 2 0 346.431 1.756 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](C2CCOCC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000169286583 226237437 /nfs/dbraw/zinc/23/74/37/226237437.db2.gz ZFKVGBWKZKFQLF-MAUKXSAKSA-N 2 0 331.460 1.646 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCCC[NH2+]C2)cc1 ZINC000418371496 304487441 /nfs/dbraw/zinc/48/74/41/304487441.db2.gz RQCFUHXBGPTJAG-SZMVWBNQSA-N 2 0 346.475 1.582 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000122474725 222095219 /nfs/dbraw/zinc/09/52/19/222095219.db2.gz XKLQPBFCSCGLFQ-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP Cc1ccc(F)c(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000130594882 287495493 /nfs/dbraw/zinc/49/54/93/287495493.db2.gz OFMASRZQLGJRJR-UHFFFAOYSA-N 2 0 338.427 1.024 20 0 EDADRP [NH3+]CCCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418505322 304505382 /nfs/dbraw/zinc/50/53/82/304505382.db2.gz CUTAZQQFNDTYAN-IUODEOHRSA-N 2 0 326.391 1.448 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)C[C@H]3CC[NH+](C)C3)c2cc1C ZINC000275401643 268337405 /nfs/dbraw/zinc/33/74/05/268337405.db2.gz BHZGYNJRRYAGFO-IRXDYDNUSA-N 2 0 330.476 1.898 20 0 EDADRP C[NH+](CCNC(=O)N1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000275859145 268378883 /nfs/dbraw/zinc/37/88/83/268378883.db2.gz ZBJFWNVPNFLGBN-KRWDZBQOSA-N 2 0 345.491 1.639 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000277380898 268543219 /nfs/dbraw/zinc/54/32/19/268543219.db2.gz CTORYYKPQJXBHK-KSZLIROESA-N 2 0 331.460 1.299 20 0 EDADRP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(C)(C)O ZINC000274553402 273095943 /nfs/dbraw/zinc/09/59/43/273095943.db2.gz AHFRRVKNAHPEMD-QGZVFWFLSA-N 2 0 335.492 1.888 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)c1cccc(F)c1 ZINC000655909590 452665427 /nfs/dbraw/zinc/66/54/27/452665427.db2.gz BKEHCGXXGCONLZ-NEPJUHHUSA-N 2 0 336.333 1.617 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000362564188 275011269 /nfs/dbraw/zinc/01/12/69/275011269.db2.gz IKOZXONMHMUQOK-AWEZNQCLSA-N 2 0 331.464 1.577 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@](CO)(C(C)C)C2)CC1 ZINC000339704505 276149885 /nfs/dbraw/zinc/14/98/85/276149885.db2.gz WUPZQTFDPWOKNT-SFHVURJKSA-N 2 0 325.497 1.317 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000314795022 277026849 /nfs/dbraw/zinc/02/68/49/277026849.db2.gz CYICUILKDORYGC-HNNXBMFYSA-N 2 0 326.437 1.976 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221047 277213891 /nfs/dbraw/zinc/21/38/91/277213891.db2.gz BPFRCNNSWHJQLK-ROUUACIJSA-N 2 0 349.475 1.191 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000333129698 277276989 /nfs/dbraw/zinc/27/69/89/277276989.db2.gz BPAUAYWALXWVFL-ULQDDVLXSA-N 2 0 338.496 1.148 20 0 EDADRP COC(=O)CCC[NH+]1CCC(N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000342772613 277315895 /nfs/dbraw/zinc/31/58/95/277315895.db2.gz AEKNZSYPFVKRCB-WBVHZDCISA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373886618 278191744 /nfs/dbraw/zinc/19/17/44/278191744.db2.gz UKWMFIJVKGOUKO-SJLPKXTDSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262850960 278305987 /nfs/dbraw/zinc/30/59/87/278305987.db2.gz SHIQUHPTBDUDLJ-SJLPKXTDSA-N 2 0 332.492 1.609 20 0 EDADRP C[C@@H]([NH2+]CCN1C(=O)NC(C)(C)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185749126 278346561 /nfs/dbraw/zinc/34/65/61/278346561.db2.gz PEHUHVUKLPTXBX-KGLIPLIRSA-N 2 0 336.480 1.559 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C)C1CC1 ZINC000347864571 279055191 /nfs/dbraw/zinc/05/51/91/279055191.db2.gz PVKCHBXPSFBDRH-KDOFPFPSSA-N 2 0 333.480 1.404 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347528513 279110634 /nfs/dbraw/zinc/11/06/34/279110634.db2.gz MQFBCUFRNGZMHA-SFHVURJKSA-N 2 0 331.460 1.863 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000166433526 279175363 /nfs/dbraw/zinc/17/53/63/279175363.db2.gz AQUBNWKZBHPCFK-UXLLHSPISA-N 2 0 325.497 1.708 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CC(C)C)C(C)C ZINC000359554789 279190743 /nfs/dbraw/zinc/19/07/43/279190743.db2.gz NILUBRIAZOJJOT-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H](CCN1CCOCC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422910988 279264402 /nfs/dbraw/zinc/26/44/02/279264402.db2.gz JTGOPDJSVRJXSS-KPFFTGBYSA-N 2 0 345.487 1.943 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000342566352 279329033 /nfs/dbraw/zinc/32/90/33/279329033.db2.gz GDCDXQZXBTZVNW-JKSUJKDBSA-N 2 0 347.507 1.704 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCCCCC3)C2)CC1 ZINC000245914158 279369350 /nfs/dbraw/zinc/36/93/50/279369350.db2.gz KEMXZOKQJXBVSP-QZTJIDSGSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H](C2CC2)[NH+]2CCCC2)C[C@@H](C)O1 ZINC000352385263 288159446 /nfs/dbraw/zinc/15/94/46/288159446.db2.gz DOURPGFEMGRJSJ-NUJGCVRESA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262224957 281074214 /nfs/dbraw/zinc/07/42/14/281074214.db2.gz JUUIZXHBFWKEME-HNNXBMFYSA-N 2 0 325.497 1.759 20 0 EDADRP Cc1nc(CN2CCCN(C(=O)N[C@@H](C)C[NH+](C)C)CC2)cs1 ZINC000288041060 288388615 /nfs/dbraw/zinc/38/86/15/288388615.db2.gz OLQDHXWQHDKRDY-ZDUSSCGKSA-N 2 0 339.509 1.619 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc4c3OCO4)CC2)CC1 ZINC000289431231 288698963 /nfs/dbraw/zinc/69/89/63/288698963.db2.gz KRVGEVYBEPSBCZ-UHFFFAOYSA-N 2 0 331.460 1.875 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@@H]2C)C[C@H]1C ZINC000351883065 290095348 /nfs/dbraw/zinc/09/53/48/290095348.db2.gz MZEVPURHXFTGDG-TWMKSMIVSA-N 2 0 340.512 1.346 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]1CCCCC1 ZINC000262754753 295383270 /nfs/dbraw/zinc/38/32/70/295383270.db2.gz DACKRWDILLWONQ-DOTOQJQBSA-N 2 0 349.475 1.702 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000662347666 453064990 /nfs/dbraw/zinc/06/49/90/453064990.db2.gz JADVSADAVWYWFM-UONOGXRCSA-N 2 0 325.478 1.754 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000418595985 304516623 /nfs/dbraw/zinc/51/66/23/304516623.db2.gz XVUYZXIJPVXZHU-IKGGRYGDSA-N 2 0 339.528 1.184 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000418782196 304530891 /nfs/dbraw/zinc/53/08/91/304530891.db2.gz DRIKEFPNRZBYTI-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418864411 304541411 /nfs/dbraw/zinc/54/14/11/304541411.db2.gz QKYGZLAWGSUSDU-IRXDYDNUSA-N 2 0 348.491 1.067 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419001157 304555438 /nfs/dbraw/zinc/55/54/38/304555438.db2.gz APQZOFPAIIGGRX-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419002289 304555675 /nfs/dbraw/zinc/55/56/75/304555675.db2.gz BWUSQGSEMLNSDT-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000419012876 304555998 /nfs/dbraw/zinc/55/59/98/304555998.db2.gz XOMDUISHIQXJGN-KRWDZBQOSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000419652341 304650879 /nfs/dbraw/zinc/65/08/79/304650879.db2.gz PQDHIOGULJCHGZ-KBPBESRZSA-N 2 0 334.464 1.038 20 0 EDADRP Cn1cc([C@H]2[C@H](CNC(=O)NC3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000377713064 447310334 /nfs/dbraw/zinc/31/03/34/447310334.db2.gz RPVZCHWAHOUQFW-WMLDXEAASA-N 2 0 348.495 1.196 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC(C)(C)[NH3+])c1ccccc1 ZINC000419637499 447311276 /nfs/dbraw/zinc/31/12/76/447311276.db2.gz AMPSPAFWKYLXKX-ZDUSSCGKSA-N 2 0 334.464 1.086 20 0 EDADRP CCC[C@H](O)[C@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811124 304688486 /nfs/dbraw/zinc/68/84/86/304688486.db2.gz HGBWMYIGRFVFKL-ICSRJNTNSA-N 2 0 349.519 1.829 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000420308156 304747274 /nfs/dbraw/zinc/74/72/74/304747274.db2.gz COLOPKFCQRLVOT-SFHVURJKSA-N 2 0 335.492 1.780 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H](C)C[NH3+])c(C)c2)CC1 ZINC000414753804 447322388 /nfs/dbraw/zinc/32/23/88/447322388.db2.gz RAUMLRCFIYTMTK-AWEZNQCLSA-N 2 0 333.480 1.853 20 0 EDADRP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414753373 447323117 /nfs/dbraw/zinc/32/31/17/447323117.db2.gz MEMHTEHHHUVSIY-XHSDSOJGSA-N 2 0 339.480 1.285 20 0 EDADRP COCCc1ccc(OC[C@@H](O)C[N@H+](C)CCCn2ccnc2)cc1 ZINC000293710193 303007278 /nfs/dbraw/zinc/00/72/78/303007278.db2.gz DQUBPYKIFDGTGG-SFHVURJKSA-N 2 0 347.459 1.834 20 0 EDADRP CC[C@@H](CO)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000295624773 303243581 /nfs/dbraw/zinc/24/35/81/303243581.db2.gz FKPMXIAFWLRIFO-IBGZPJMESA-N 2 0 347.503 1.732 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000296170538 303300248 /nfs/dbraw/zinc/30/02/48/303300248.db2.gz XSCWXMHOAGHVEF-GOSISDBHSA-N 2 0 342.491 1.844 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000296480228 303319481 /nfs/dbraw/zinc/31/94/81/303319481.db2.gz WPMMXTQTJNQVMA-KRWDZBQOSA-N 2 0 334.464 1.717 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297176701 303368935 /nfs/dbraw/zinc/36/89/35/303368935.db2.gz FJUVENLCOMLGBV-UHFFFAOYSA-N 2 0 344.463 1.160 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC3CC[NH2+]CC3)CC2)c1 ZINC000297247519 303377585 /nfs/dbraw/zinc/37/75/85/303377585.db2.gz QIXXJVWPGYWISF-UHFFFAOYSA-N 2 0 344.503 1.623 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333936732 303806839 /nfs/dbraw/zinc/80/68/39/303806839.db2.gz KUJFOGPKNVIJFJ-HNNXBMFYSA-N 2 0 340.537 1.647 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662750509 453481423 /nfs/dbraw/zinc/48/14/23/453481423.db2.gz UDJXVXVXHNURLJ-DGCLKSJQSA-N 2 0 325.375 1.001 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000414875247 447339630 /nfs/dbraw/zinc/33/96/30/447339630.db2.gz IXPQRCXLBJAPHI-INIZCTEOSA-N 2 0 332.448 1.191 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000493574223 447345109 /nfs/dbraw/zinc/34/51/09/447345109.db2.gz ABWDZNTUOSXPHW-AXJDHONKSA-N 2 0 345.487 1.758 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000422613531 304874119 /nfs/dbraw/zinc/87/41/19/304874119.db2.gz WWSJOEPACAOLFO-JKSUJKDBSA-N 2 0 334.464 1.567 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000422958844 304880941 /nfs/dbraw/zinc/88/09/41/304880941.db2.gz QEHUAZGCGWZPCA-OCCSQVGLSA-N 2 0 325.840 1.789 20 0 EDADRP CCNC(=O)C(C)(C)C[NH2+][C@H](C)C1(C(=O)OCC)CC[NH2+]CC1 ZINC000422964109 304881570 /nfs/dbraw/zinc/88/15/70/304881570.db2.gz HUTSPSSNJRBYRL-CYBMUJFWSA-N 2 0 327.469 1.060 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000423333096 304892947 /nfs/dbraw/zinc/89/29/47/304892947.db2.gz NYFFIVJXYJRIJT-LJQANCHMSA-N 2 0 349.450 1.532 20 0 EDADRP CC1(C)[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCCO[C@H]21 ZINC000423385916 304894239 /nfs/dbraw/zinc/89/42/39/304894239.db2.gz KZMDALJZZFJLDM-XJFOESAGSA-N 2 0 335.414 1.616 20 0 EDADRP Cc1ccc2c(c1)nc(CNC(=O)CCC[NH+]1CCC([NH3+])CC1)n2C ZINC000423851942 304912364 /nfs/dbraw/zinc/91/23/64/304912364.db2.gz VIVRFUFFPXYIEN-UHFFFAOYSA-N 2 0 343.475 1.701 20 0 EDADRP CCO[C@H]1C[C@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C12CCC2 ZINC000423893091 304913961 /nfs/dbraw/zinc/91/39/61/304913961.db2.gz CULHPSZZHBWYCE-IRXDYDNUSA-N 2 0 337.508 1.996 20 0 EDADRP CSC1(CNC(=O)c2ccc(C[NH+](C)C)nc2)CC[NH+](C)CC1 ZINC000427206605 304986669 /nfs/dbraw/zinc/98/66/69/304986669.db2.gz QPMGFRHTMXGSPI-UHFFFAOYSA-N 2 0 336.505 1.700 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CCC(=O)N2CCN(C)CC2)CC1 ZINC000429669956 305034589 /nfs/dbraw/zinc/03/45/89/305034589.db2.gz FQSUAXDHGOQHSX-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCCOc2cccc(C)c2)CC1 ZINC000430544298 305055932 /nfs/dbraw/zinc/05/59/32/305055932.db2.gz FUUIETJYCLNNOT-UHFFFAOYSA-N 2 0 333.476 1.812 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000430683816 305062429 /nfs/dbraw/zinc/06/24/29/305062429.db2.gz XSSPDGKTEVZVND-INIZCTEOSA-N 2 0 337.489 1.662 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000430722974 305063394 /nfs/dbraw/zinc/06/33/94/305063394.db2.gz RGWSSSCJJNLJOP-IKGGRYGDSA-N 2 0 335.492 1.668 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC([C@@H](C)[NH3+])CC3)C2=O)c1 ZINC000430923388 305068331 /nfs/dbraw/zinc/06/83/31/305068331.db2.gz DJWNYJUTLUYGSW-ACJLOTCBSA-N 2 0 347.459 1.868 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)c(OC)c2)CC1 ZINC000430936181 305069194 /nfs/dbraw/zinc/06/91/94/305069194.db2.gz SVIJFVAJVJSXAT-CYBMUJFWSA-N 2 0 335.448 1.962 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000431028044 305073133 /nfs/dbraw/zinc/07/31/33/305073133.db2.gz MEBRLOZRBCSSAI-BFYDXBDKSA-N 2 0 325.497 1.708 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C(C)(C)C[NH3+])CC2)C[C@H](C)O1 ZINC000431030883 305073270 /nfs/dbraw/zinc/07/32/70/305073270.db2.gz SMOHGJJZIQBFNH-GJZGRUSLSA-N 2 0 325.497 1.709 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076197 305086870 /nfs/dbraw/zinc/08/68/70/305086870.db2.gz GSQTZBDBJHXCTK-TZMCWYRMSA-N 2 0 347.463 1.551 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433121198 305100833 /nfs/dbraw/zinc/10/08/33/305100833.db2.gz QTZDNGQJLZLWPH-OAHLLOKOSA-N 3 0 338.521 1.670 20 0 EDADRP CC(C)N1C(=O)CN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1(C)C ZINC000433147020 305101735 /nfs/dbraw/zinc/10/17/35/305101735.db2.gz XGTNEBZWDQFANP-UHFFFAOYSA-N 2 0 338.496 1.048 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000433156956 305101928 /nfs/dbraw/zinc/10/19/28/305101928.db2.gz DLIJKAHDNFIMFN-OALUTQOASA-N 2 0 346.519 1.712 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC2CC[NH+](C3CC3)CC2)CCCO1 ZINC000433285161 305105012 /nfs/dbraw/zinc/10/50/12/305105012.db2.gz LJNBFYSYGQYRSG-HNNXBMFYSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433386165 305107245 /nfs/dbraw/zinc/10/72/45/305107245.db2.gz GYMLPTUXKYAIND-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000433395208 305107763 /nfs/dbraw/zinc/10/77/63/305107763.db2.gz PZNHNWZGMFEWPE-CVEARBPZSA-N 2 0 338.496 1.437 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)CCC[N@@H+]1C ZINC000433411718 305108406 /nfs/dbraw/zinc/10/84/06/305108406.db2.gz QWECWKRQLOKIBT-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433919148 305114628 /nfs/dbraw/zinc/11/46/28/305114628.db2.gz MMGYPMJCCQOIHR-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000434455426 305123048 /nfs/dbraw/zinc/12/30/48/305123048.db2.gz ZDDZYRVCBJOSSL-QGZVFWFLSA-N 2 0 330.476 1.704 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000434671689 305127026 /nfs/dbraw/zinc/12/70/26/305127026.db2.gz VNYVBAGTRFGXFS-LJQANCHMSA-N 2 0 340.471 1.593 20 0 EDADRP O=C(C[C@@H]1CN(Cc2ccccc2)CCO1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435235363 305137592 /nfs/dbraw/zinc/13/75/92/305137592.db2.gz DJGOIROOCQPGBU-RTBURBONSA-N 2 0 343.471 1.630 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435238028 305137645 /nfs/dbraw/zinc/13/76/45/305137645.db2.gz PCRLQFXJLZANRP-LJQANCHMSA-N 2 0 342.487 1.552 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OCC(=O)N3CCCC3)C[C@@H]12 ZINC000435385758 305139585 /nfs/dbraw/zinc/13/95/85/305139585.db2.gz UAHJQTQBGJSPMJ-KBAYOESNSA-N 2 0 343.471 1.857 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436065226 305151933 /nfs/dbraw/zinc/15/19/33/305151933.db2.gz OQZZBRMXTPRCNG-IXDOHACOSA-N 2 0 325.497 1.901 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccnn1CC[NH+](C)C ZINC000436488730 305158634 /nfs/dbraw/zinc/15/86/34/305158634.db2.gz NOZALSJHDIGQON-HUUCEWRRSA-N 2 0 334.468 1.535 20 0 EDADRP Cc1noc(C2CCC([NH2+]CCC[N@@H+]3CCC[C@@H](C(N)=O)C3)CC2)n1 ZINC000438828964 305189759 /nfs/dbraw/zinc/18/97/59/305189759.db2.gz IXRXFRZLWDJKKW-HWOWSKLDSA-N 2 0 349.479 1.581 20 0 EDADRP CC(C)[C@H](C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000442968613 305232332 /nfs/dbraw/zinc/23/23/32/305232332.db2.gz SIRPWDHQFXSYFQ-QGZVFWFLSA-N 2 0 338.540 1.639 20 0 EDADRP CC[N@H+](CCNS(=O)(=O)c1ccccc1Cn1ccnc1)C1CC1 ZINC000442990208 305232698 /nfs/dbraw/zinc/23/26/98/305232698.db2.gz QDEKFSBSDWJFJC-UHFFFAOYSA-N 2 0 348.472 1.694 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451472079 305348660 /nfs/dbraw/zinc/34/86/60/305348660.db2.gz JSPNMHQQZGEOAE-SJORKVTESA-N 2 0 335.492 1.667 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NCC2CCCCC2)CC1 ZINC000451979309 305375846 /nfs/dbraw/zinc/37/58/46/305375846.db2.gz GIPRVPJHLQOILD-UHFFFAOYSA-N 2 0 338.540 1.689 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC(C)(C)CCC[NH+](C)C)CC1 ZINC000457998129 305498252 /nfs/dbraw/zinc/49/82/52/305498252.db2.gz ZYSIZJYRRKVWDG-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000458414549 447354454 /nfs/dbraw/zinc/35/44/54/447354454.db2.gz CSMBFFVXKIXUBS-UHFFFAOYSA-N 2 0 332.492 1.725 20 0 EDADRP CCOc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)on1 ZINC000448852063 447352349 /nfs/dbraw/zinc/35/23/49/447352349.db2.gz HSIRVUFYXJVVLX-CQSZACIVSA-N 2 0 338.452 1.561 20 0 EDADRP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1COCC[C@@H]1[NH2+]CCC[NH+](C)C ZINC000495621974 305640399 /nfs/dbraw/zinc/64/03/99/305640399.db2.gz WEXFTIWGWQVXGT-KKUMJFAQSA-N 2 0 329.485 1.846 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@@H](C)C1 ZINC000458412819 447354555 /nfs/dbraw/zinc/35/45/55/447354555.db2.gz OPBZJCQEQGJQQH-HOTGVXAUSA-N 2 0 342.528 1.763 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414922031 447358162 /nfs/dbraw/zinc/35/81/62/447358162.db2.gz GCDWOZOGYGKKDM-XJKSGUPXSA-N 2 0 332.448 1.588 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[NH+]1CCCCC1 ZINC000419705808 447362063 /nfs/dbraw/zinc/36/20/63/447362063.db2.gz BTQAYGNEELYYHK-OWCLPIDISA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]1C[N@H+](CCOC[C@@H]2CCCO2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000535013496 306010401 /nfs/dbraw/zinc/01/04/01/306010401.db2.gz WXVXURWHYQLLFH-SQNIBIBYSA-N 2 0 325.497 1.140 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000543027391 306060099 /nfs/dbraw/zinc/06/00/99/306060099.db2.gz RNVCSJKAILBFLN-ZWKOTPCHSA-N 2 0 330.476 1.704 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000543393475 306063410 /nfs/dbraw/zinc/06/34/10/306063410.db2.gz GJZLCOXURGEQCV-GOSISDBHSA-N 2 0 325.416 1.678 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000548102792 306119963 /nfs/dbraw/zinc/11/99/63/306119963.db2.gz FXOVEBFKEHKNAN-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP C[N@@H+]1CCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)CC1(C)C ZINC000550107470 306150706 /nfs/dbraw/zinc/15/07/06/306150706.db2.gz OFTBXBHUBZSOSR-GOSISDBHSA-N 2 0 345.487 1.830 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)COc2ccccc2-n2ccnc2)C[C@H](C)O1 ZINC000555581121 306203317 /nfs/dbraw/zinc/20/33/17/306203317.db2.gz RTONSZRIBMOOBE-OWCLPIDISA-N 2 0 331.416 1.721 20 0 EDADRP CCc1ccc([C@H](CNC(=O)N2CCN(C)C[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000557135690 306224650 /nfs/dbraw/zinc/22/46/50/306224650.db2.gz LIHFXQDIEBNAPR-MSOLQXFVSA-N 2 0 347.507 1.136 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419717388 447370153 /nfs/dbraw/zinc/37/01/53/447370153.db2.gz BCNBKNNVSONQTL-GXTWGEPZSA-N 2 0 338.496 1.140 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419724335 447374838 /nfs/dbraw/zinc/37/48/38/447374838.db2.gz GVZZYVCEGPTDGU-GJZGRUSLSA-N 2 0 346.475 1.052 20 0 EDADRP COc1cc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)ccc1C ZINC000414972699 447380430 /nfs/dbraw/zinc/38/04/30/447380430.db2.gz MVAHPCOVCCHGDH-HNNXBMFYSA-N 2 0 331.382 1.929 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CSCC(C)=O ZINC000426117353 447392523 /nfs/dbraw/zinc/39/25/23/447392523.db2.gz DSWIDJYPWYPSJH-OAHLLOKOSA-N 2 0 329.510 1.183 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426125440 447394284 /nfs/dbraw/zinc/39/42/84/447394284.db2.gz DTWZGDLHIVSPDH-SCTDSRPQSA-N 2 0 348.535 1.630 20 0 EDADRP CN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000419803532 447422966 /nfs/dbraw/zinc/42/29/66/447422966.db2.gz DZRHQJKQSNXUDY-SJORKVTESA-N 2 0 346.475 1.006 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000104102218 441189976 /nfs/dbraw/zinc/18/99/76/441189976.db2.gz BROCTVRRXBDYLZ-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP C[C@H](CNC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)[NH+](C)C1CC1 ZINC000105262723 441245531 /nfs/dbraw/zinc/24/55/31/441245531.db2.gz BKMUPNMXXFRFGF-CABCVRRESA-N 2 0 338.496 1.364 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCC[NH+]1CCCC1 ZINC000072816933 441262641 /nfs/dbraw/zinc/26/26/41/441262641.db2.gz UNKHTNWRCIRZEN-UHFFFAOYSA-N 2 0 344.503 1.801 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081385191 441263039 /nfs/dbraw/zinc/26/30/39/441263039.db2.gz IUOGWGRYDZNFGO-GOSISDBHSA-N 2 0 339.443 1.801 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000073553583 441324252 /nfs/dbraw/zinc/32/42/52/441324252.db2.gz ZQTHMLREIXRKLA-QGZVFWFLSA-N 2 0 332.492 1.261 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000073643394 441336975 /nfs/dbraw/zinc/33/69/75/441336975.db2.gz NCVPHNGRMDDSMQ-UHFFFAOYSA-N 2 0 338.540 1.497 20 0 EDADRP CC(C)[C@@H](C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000106458087 441345646 /nfs/dbraw/zinc/34/56/46/441345646.db2.gz KFSGXJJAPRSJHC-IBGZPJMESA-N 2 0 346.519 1.507 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](CCOC)CC2)o1 ZINC000048429129 441305939 /nfs/dbraw/zinc/30/59/39/441305939.db2.gz USJIUOQULWHGMC-UHFFFAOYSA-N 2 0 337.464 1.916 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000106547563 441354501 /nfs/dbraw/zinc/35/45/01/441354501.db2.gz YGDPNWDLJGAZBL-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000074181705 441403913 /nfs/dbraw/zinc/40/39/13/441403913.db2.gz STBNPZOQNMTMLW-INIZCTEOSA-N 2 0 329.488 1.886 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C1 ZINC000074855661 441472911 /nfs/dbraw/zinc/47/29/11/441472911.db2.gz MWZHYDDOKZMGAS-RCCFBDPRSA-N 2 0 334.508 1.987 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CN1CC[NH+](CC)CC1)c1ccco1 ZINC000052857985 441481543 /nfs/dbraw/zinc/48/15/43/441481543.db2.gz ONARBQZBBDBRBR-MRXNPFEDSA-N 2 0 336.480 1.416 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000108549815 441463464 /nfs/dbraw/zinc/46/34/64/441463464.db2.gz VMEYEHXONUGFJT-KRWDZBQOSA-N 2 0 348.491 1.768 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CC[NH+](CC2CC2)C1)Cc1ccccc1 ZINC000108562865 441464987 /nfs/dbraw/zinc/46/49/87/441464987.db2.gz RPXGQLQANRYQBS-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]CCCC[N@@H+]3CCC[C@H]3CO)cc12 ZINC000111386090 441535742 /nfs/dbraw/zinc/53/57/42/441535742.db2.gz MXLSKCKQKJYGLV-INIZCTEOSA-N 2 0 331.464 1.603 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000067286781 441624650 /nfs/dbraw/zinc/62/46/50/441624650.db2.gz MCNCBIMDRIXHSJ-QZTJIDSGSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)c1 ZINC000041135605 441635295 /nfs/dbraw/zinc/63/52/95/441635295.db2.gz CDEGWPOYCPLKFS-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)NC[C@H]2CCC[N@H+](C)C2)c1 ZINC000158189803 441702329 /nfs/dbraw/zinc/70/23/29/441702329.db2.gz KLOVHQALLGMSAR-UONOGXRCSA-N 2 0 325.478 1.587 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCN2CC[NH+](C)CC2)o1 ZINC000041836235 441677395 /nfs/dbraw/zinc/67/73/95/441677395.db2.gz AFYMUVFNFPRFFH-UHFFFAOYSA-N 2 0 336.480 1.489 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCOCC1 ZINC000159002230 441780486 /nfs/dbraw/zinc/78/04/86/441780486.db2.gz IPYNBJXKMGWJIW-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000116549377 441828712 /nfs/dbraw/zinc/82/87/12/441828712.db2.gz MHAHFSZWTWBNHJ-HZPDHXFCSA-N 2 0 342.528 1.763 20 0 EDADRP O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000150759580 441944920 /nfs/dbraw/zinc/94/49/20/441944920.db2.gz OGTNMXPHCKXNNS-MRXNPFEDSA-N 2 0 334.508 1.147 20 0 EDADRP Cc1ccc(C(N)=O)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000120019150 441994906 /nfs/dbraw/zinc/99/49/06/441994906.db2.gz SKODEPOAMPGRFZ-UHFFFAOYSA-N 2 0 335.452 1.051 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCC[C@H]2C[NH+]2CCCCC2)CC1 ZINC000069608013 441988656 /nfs/dbraw/zinc/98/86/56/441988656.db2.gz LVZYIZFJFZFIRI-SFHVURJKSA-N 2 0 336.524 1.537 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000079077002 442017140 /nfs/dbraw/zinc/01/71/40/442017140.db2.gz VKGIELKEHVQYDG-UHFFFAOYSA-N 2 0 328.501 1.563 20 0 EDADRP COC(=O)c1csc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120289375 442043899 /nfs/dbraw/zinc/04/38/99/442043899.db2.gz ZPIXBOSUTKCBMP-UHFFFAOYSA-N 2 0 342.465 1.492 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000162326375 442083562 /nfs/dbraw/zinc/08/35/62/442083562.db2.gz JWRJIPDBJGGSSX-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000151566584 442085812 /nfs/dbraw/zinc/08/58/12/442085812.db2.gz GJPMKIXGYNBLNV-YJBOKZPZSA-N 2 0 335.492 1.763 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1CC[NH+](C2CC2)C1 ZINC000126616167 442127060 /nfs/dbraw/zinc/12/70/60/442127060.db2.gz NQSBZLOUBRRWFX-INIZCTEOSA-N 2 0 342.487 1.828 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000151871413 442132142 /nfs/dbraw/zinc/13/21/42/442132142.db2.gz HRKTYOVZDITPBG-KCQAQPDRSA-N 2 0 325.478 1.728 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000175865532 442137041 /nfs/dbraw/zinc/13/70/41/442137041.db2.gz IMDUZXVVKHTMOW-SJORKVTESA-N 2 0 340.512 1.326 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000175906678 442143894 /nfs/dbraw/zinc/14/38/94/442143894.db2.gz NWDNOMKBJWFAOQ-IRXDYDNUSA-N 2 0 338.496 1.082 20 0 EDADRP CC[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000126387485 442105911 /nfs/dbraw/zinc/10/59/11/442105911.db2.gz ZIRVXOWVMKWEKH-RTBURBONSA-N 2 0 346.519 1.822 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCCC[NH+]1CCCC1 ZINC000176042997 442165687 /nfs/dbraw/zinc/16/56/87/442165687.db2.gz ZEINIHPHSDAQSF-UHFFFAOYSA-N 2 0 346.475 1.597 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1CCCC1 ZINC000176147226 442182689 /nfs/dbraw/zinc/18/26/89/442182689.db2.gz PAWFVRRMQBVETG-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP COC1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CC[NH2+]CC1 ZINC000164607950 442200184 /nfs/dbraw/zinc/20/01/84/442200184.db2.gz VYJUDHXVSYINEH-UHFFFAOYSA-N 2 0 333.476 1.912 20 0 EDADRP CC[N@H+](CC(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)C1CC1 ZINC000152060578 442159837 /nfs/dbraw/zinc/15/98/37/442159837.db2.gz VENFXGXRWJQYSD-UHFFFAOYSA-N 2 0 346.475 1.079 20 0 EDADRP COC1(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000165126552 442206813 /nfs/dbraw/zinc/20/68/13/442206813.db2.gz FUWYFXWPDDHBKI-HOTGVXAUSA-N 2 0 325.497 1.629 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152478815 442217542 /nfs/dbraw/zinc/21/75/42/442217542.db2.gz OAGLCYIHOAHBPN-CQSZACIVSA-N 2 0 332.448 1.388 20 0 EDADRP CC1(C)C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C(C)(C)O1 ZINC000168950286 442225221 /nfs/dbraw/zinc/22/52/21/442225221.db2.gz PLLYTRLPMXTKSN-MRXNPFEDSA-N 2 0 327.513 1.312 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)N1CC[NH+](C)CC1 ZINC000127817823 442227509 /nfs/dbraw/zinc/22/75/09/442227509.db2.gz PZRFISRBPMXMQK-CVEARBPZSA-N 2 0 328.464 1.554 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2cccc(C[NH+](C)C)c2)C[C@@H](C)O1 ZINC000128639456 442279587 /nfs/dbraw/zinc/27/95/87/442279587.db2.gz JMSMXXCFESQKTJ-HZPDHXFCSA-N 2 0 333.476 1.977 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000171034574 442302116 /nfs/dbraw/zinc/30/21/16/442302116.db2.gz DGGZJQQVPWKXKD-HRCADAONSA-N 2 0 328.501 1.515 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000177327738 442329047 /nfs/dbraw/zinc/32/90/47/442329047.db2.gz YPUOYCKVABACDV-MSOLQXFVSA-N 2 0 336.524 1.534 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000177376066 442333569 /nfs/dbraw/zinc/33/35/69/442333569.db2.gz ACIIQLRBFFOQOW-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP COC(=O)c1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000177379173 442333693 /nfs/dbraw/zinc/33/36/93/442333693.db2.gz ZZXCWWMFPCJGPI-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000129320335 442311529 /nfs/dbraw/zinc/31/15/29/442311529.db2.gz YSHWQOYFEVRTBG-QZTJIDSGSA-N 2 0 332.492 1.752 20 0 EDADRP COC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](COC)C2)C1 ZINC000178701405 442458022 /nfs/dbraw/zinc/45/80/22/442458022.db2.gz YVMAHYOGESNXRY-HDICACEKSA-N 2 0 328.497 1.720 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](CO)C(C)C)CC1 ZINC000156252776 442459171 /nfs/dbraw/zinc/45/91/71/442459171.db2.gz FMTLNKNPYMGJAJ-LJQANCHMSA-N 2 0 347.503 1.636 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(Cc3ccncc3)CC2)CC1 ZINC000191598884 442473086 /nfs/dbraw/zinc/47/30/86/442473086.db2.gz IDOFROLTABEGSM-UHFFFAOYSA-N 2 0 345.535 1.615 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000178956878 442538062 /nfs/dbraw/zinc/53/80/62/442538062.db2.gz ZRWAWKMIIVBSKQ-KRWDZBQOSA-N 2 0 330.476 1.315 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000157392161 442578929 /nfs/dbraw/zinc/57/89/29/442578929.db2.gz DOYBWGJJJDKVQA-HZPDHXFCSA-N 2 0 328.501 1.467 20 0 EDADRP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)[NH+]1CCN(C)CC1 ZINC000157412373 442581282 /nfs/dbraw/zinc/58/12/82/442581282.db2.gz CCDIUBPFHRQTHS-QGZVFWFLSA-N 2 0 341.544 1.240 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCCC[NH+]2CCC(C)CC2)C1(C)C ZINC000186729983 442603033 /nfs/dbraw/zinc/60/30/33/442603033.db2.gz MYFFEEKKDBKIBS-QAPCUYQASA-N 2 0 325.497 1.757 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(CCc2ccccc2)C1 ZINC000186590735 442567612 /nfs/dbraw/zinc/56/76/12/442567612.db2.gz REFYKIPYUXTFNW-FPOVZHCZSA-N 2 0 344.547 1.919 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)C[NH+]1CCCCC1 ZINC000186988784 442640929 /nfs/dbraw/zinc/64/09/29/442640929.db2.gz WVQLVJDIMPSXBF-MRXNPFEDSA-N 2 0 326.485 1.130 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000173176363 442617378 /nfs/dbraw/zinc/61/73/78/442617378.db2.gz ALYGOZZBCJRJQR-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1nccn1CCCCNC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000173189230 442620522 /nfs/dbraw/zinc/62/05/22/442620522.db2.gz JFFKTKCEJNCZKJ-CABCVRRESA-N 2 0 337.468 1.380 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000187411021 442675072 /nfs/dbraw/zinc/67/50/72/442675072.db2.gz BXXUSPIXBXWCOE-HZPDHXFCSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCO3)cc2)C1 ZINC000188068166 442707682 /nfs/dbraw/zinc/70/76/82/442707682.db2.gz SJQAIQVWBHKRJX-JTDSTZFVSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1C[NH2+]CCO1 ZINC000188060804 442706677 /nfs/dbraw/zinc/70/66/77/442706677.db2.gz SQKIAFDZEKQLPQ-CRAIPNDOSA-N 2 0 331.460 1.666 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1COCCN1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000193345574 442734728 /nfs/dbraw/zinc/73/47/28/442734728.db2.gz ZNWBEIVTAKYXPM-ZBFHGGJFSA-N 2 0 325.497 1.722 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000188562655 442763882 /nfs/dbraw/zinc/76/38/82/442763882.db2.gz BSDBJTIKMBTFTK-KRWDZBQOSA-N 2 0 341.544 1.242 20 0 EDADRP CCN(C)C(=O)CC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182984002 442859493 /nfs/dbraw/zinc/85/94/93/442859493.db2.gz IDXJGGGTYHNJBM-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)C[NH+]1CCCC1 ZINC000171547056 318434313 /nfs/dbraw/zinc/43/43/13/318434313.db2.gz IOLKYECGEFFMGM-QGZVFWFLSA-N 2 0 347.507 1.887 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000189139575 442884596 /nfs/dbraw/zinc/88/45/96/442884596.db2.gz ZIVARMYZHIHUFZ-OAGGEKHMSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@H](CCNC(=O)Nc1ccn(CC[NH+](C)C)n1)[NH+]1CCCCC1 ZINC000183765064 318528561 /nfs/dbraw/zinc/52/85/61/318528561.db2.gz TVONDGSGNQFACS-OAHLLOKOSA-N 2 0 336.484 1.831 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2C[C@H](F)C[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000248999716 442943929 /nfs/dbraw/zinc/94/39/29/442943929.db2.gz OJZHNRGWGCAQIB-RCCFBDPRSA-N 2 0 348.466 1.181 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)cc1 ZINC000189492230 442967343 /nfs/dbraw/zinc/96/73/43/442967343.db2.gz JCMGKSYOMKQDMA-UHFFFAOYSA-N 2 0 348.491 1.971 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000195130051 442987454 /nfs/dbraw/zinc/98/74/54/442987454.db2.gz ZPZPYIIYPOKYFL-QAPCUYQASA-N 2 0 330.476 1.827 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC(CC[NH+](C)C)CC2)CC1 ZINC000195145850 442989525 /nfs/dbraw/zinc/98/95/25/442989525.db2.gz MVVAIUVCJYISRA-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP Cn1c2ccccc2nc1CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000266034652 442996570 /nfs/dbraw/zinc/99/65/70/442996570.db2.gz TYGLVLBGVUWXCT-MRXNPFEDSA-N 2 0 328.460 1.770 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000268714454 443086744 /nfs/dbraw/zinc/08/67/44/443086744.db2.gz IRCBMMOZSMFEOY-AATRIKPKSA-N 2 0 331.464 1.668 20 0 EDADRP C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1cccc(OCC[NH+](C)C)c1 ZINC000268769181 443102860 /nfs/dbraw/zinc/10/28/60/443102860.db2.gz RUWMNUKAOZVMPZ-CQSZACIVSA-N 2 0 343.493 1.217 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237214259 443164317 /nfs/dbraw/zinc/16/43/17/443164317.db2.gz YVJUKHVYQSYULY-QZTJIDSGSA-N 2 0 330.476 1.291 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000268955386 443158260 /nfs/dbraw/zinc/15/82/60/443158260.db2.gz DHDQFJBRKZKFHO-CQSZACIVSA-N 2 0 333.432 1.751 20 0 EDADRP C[C@@H](O)CCN(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269202432 443230733 /nfs/dbraw/zinc/23/07/33/443230733.db2.gz IFCQBAVTRJAJHA-MRXNPFEDSA-N 2 0 349.479 1.006 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185498542 443208723 /nfs/dbraw/zinc/20/87/23/443208723.db2.gz IRTVMSONPGPMCI-UHFFFAOYSA-N 2 0 341.544 1.434 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262899234 443216886 /nfs/dbraw/zinc/21/68/86/443216886.db2.gz PITCDUWHQHRJIE-NJAFHUGGSA-N 2 0 333.476 1.862 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000348301418 318999759 /nfs/dbraw/zinc/99/97/59/318999759.db2.gz HSESPDGQRPKYIO-HZPDHXFCSA-N 2 0 331.526 1.512 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269239723 443246141 /nfs/dbraw/zinc/24/61/41/443246141.db2.gz QKYFLHKZZHMQKC-HNNXBMFYSA-N 2 0 339.505 1.797 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000397508068 319135395 /nfs/dbraw/zinc/13/53/95/319135395.db2.gz FYBDEOCVFLHDMD-UHFFFAOYSA-N 2 0 327.469 1.432 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@@H]2CCC[C@@H]2C)CC1 ZINC000411628653 319191091 /nfs/dbraw/zinc/19/10/91/319191091.db2.gz WZEZBJOIEFXGOD-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@@H]2CC[C@@H](C)C2)CC1 ZINC000411645934 319191500 /nfs/dbraw/zinc/19/15/00/319191500.db2.gz LSRIYJRFHMIRSO-NVXWUHKLSA-N 2 0 325.497 1.458 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@H]2CC[C@@H](C)C2)CC1 ZINC000411645938 319191576 /nfs/dbraw/zinc/19/15/76/319191576.db2.gz LSRIYJRFHMIRSO-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1(CO)CCC1 ZINC000411771909 319202483 /nfs/dbraw/zinc/20/24/83/319202483.db2.gz RDITYWVVQUTUNF-GOSISDBHSA-N 2 0 339.524 1.752 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C(=O)OC)cn2)CC1 ZINC000411811212 319206917 /nfs/dbraw/zinc/20/69/17/319206917.db2.gz SRCRVLNSOMMSKW-UHFFFAOYSA-N 2 0 334.464 1.374 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C ZINC000412680177 319239246 /nfs/dbraw/zinc/23/92/46/319239246.db2.gz YOGOVESIDBPANB-CEXWTWQISA-N 2 0 345.487 1.734 20 0 EDADRP CC[C@H](C(=O)NCCC(C)(C)NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000413848490 319293061 /nfs/dbraw/zinc/29/30/61/319293061.db2.gz WFINQQJKCIPCLU-ZIAGYGMSSA-N 2 0 328.501 1.068 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000413935571 319304949 /nfs/dbraw/zinc/30/49/49/319304949.db2.gz DTMQFPDLGCGERE-DZGCQCFKSA-N 2 0 335.448 1.772 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000414676506 319340271 /nfs/dbraw/zinc/34/02/71/319340271.db2.gz HXTKOOFGSUHVQY-UHFFFAOYSA-N 2 0 346.475 1.581 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1F ZINC000414993325 319344363 /nfs/dbraw/zinc/34/43/63/319344363.db2.gz ULUMVCWDNAZMBZ-AWEZNQCLSA-N 2 0 335.345 1.760 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@H]1CC[C@H](NC(=O)C[NH+](CC)CC)CC1 ZINC000246127905 443271012 /nfs/dbraw/zinc/27/10/12/443271012.db2.gz OTJFLFBDAOHHDF-WKILWMFISA-N 2 0 340.512 1.214 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000415871623 319380051 /nfs/dbraw/zinc/38/00/51/319380051.db2.gz QPSQSJQFEBNMKC-OAHLLOKOSA-N 2 0 332.448 1.253 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N(C)CCC[N@H+](C)CCN(C)C)cc1 ZINC000415984542 319387165 /nfs/dbraw/zinc/38/71/65/319387165.db2.gz PUKITVBAGKACFR-UHFFFAOYSA-N 2 0 335.496 1.753 20 0 EDADRP CCC[C@@H]1CN(C(=O)Nc2ncccc2C[NH3+])CC[N@@H+]1CCOC ZINC000415985765 319387197 /nfs/dbraw/zinc/38/71/97/319387197.db2.gz GGITVPRREXGNLN-OAHLLOKOSA-N 2 0 335.452 1.505 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NCCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000416168844 319396724 /nfs/dbraw/zinc/39/67/24/319396724.db2.gz ARGSXMDYHMKBDG-IBGZPJMESA-N 2 0 346.519 1.822 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000246167919 443274553 /nfs/dbraw/zinc/27/45/53/443274553.db2.gz LBLSAAFROLZKNF-IRXDYDNUSA-N 2 0 341.544 1.290 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C[C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000269308589 443276431 /nfs/dbraw/zinc/27/64/31/443276431.db2.gz VBOIKGYKPVZZQP-KRWDZBQOSA-N 2 0 332.448 1.146 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000269279558 443263883 /nfs/dbraw/zinc/26/38/83/443263883.db2.gz ZJSQHOCIZLIKBT-DLBZAZTESA-N 2 0 333.476 1.803 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000269280028 443265339 /nfs/dbraw/zinc/26/53/39/443265339.db2.gz DWIKYIWFTRGEAH-HXUWFJFHSA-N 2 0 344.503 1.440 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)c1ccccc1 ZINC000416801912 319460887 /nfs/dbraw/zinc/46/08/87/319460887.db2.gz HGAWVYAWFFTSQV-SFHVURJKSA-N 2 0 348.491 1.829 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CCC[NH2+][C@@H]1C)[NH+]1CCOCC1 ZINC000416943682 319481244 /nfs/dbraw/zinc/48/12/44/319481244.db2.gz COZDSAOJLVIUBE-OIISXLGYSA-N 2 0 340.512 1.563 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](CCCCCO)CC1 ZINC000266938030 443296098 /nfs/dbraw/zinc/29/60/98/443296098.db2.gz QNWJZZVJLMPPEG-UHFFFAOYSA-N 2 0 335.492 1.912 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)O ZINC000267174553 443368278 /nfs/dbraw/zinc/36/82/78/443368278.db2.gz VXEYUQHKMJXIPV-WBVHZDCISA-N 2 0 333.476 1.468 20 0 EDADRP COC(=O)c1cccc(OCC[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000420290198 319608906 /nfs/dbraw/zinc/60/89/06/319608906.db2.gz LNANABTVWNRLCC-UHFFFAOYSA-N 2 0 336.432 1.682 20 0 EDADRP C[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000423359412 319766338 /nfs/dbraw/zinc/76/63/38/319766338.db2.gz PDPYQCGWASSRKU-LSDHHAIUSA-N 2 0 333.480 1.727 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000423403552 319771529 /nfs/dbraw/zinc/77/15/29/319771529.db2.gz YKIGKKRMLWDKSQ-QGZVFWFLSA-N 2 0 325.497 1.901 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCc2cn3cc(C)ccc3n2)[N@H+](C)C1 ZINC000286113610 443648442 /nfs/dbraw/zinc/64/84/42/443648442.db2.gz JCMPNCJWJCPRAA-HOTGVXAUSA-N 2 0 345.447 1.503 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(N2CCC2)nc1 ZINC000448972621 320167730 /nfs/dbraw/zinc/16/77/30/320167730.db2.gz UIVLQHXQNHTVIA-UHFFFAOYSA-N 2 0 347.507 1.637 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCCN1CCCO ZINC000449385003 320186084 /nfs/dbraw/zinc/18/60/84/320186084.db2.gz DDCIPMBEEDRGOD-GOSISDBHSA-N 2 0 329.448 1.512 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000457771305 320335637 /nfs/dbraw/zinc/33/56/37/320335637.db2.gz IISOXGRRECPYSI-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000286302923 443686547 /nfs/dbraw/zinc/68/65/47/443686547.db2.gz XMPGBCKOEVDLII-HLIPFELVSA-N 2 0 344.503 1.701 20 0 EDADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C[NH+]1CCCC1 ZINC000496730938 320413714 /nfs/dbraw/zinc/41/37/14/320413714.db2.gz PZRZNEXAQQJHMK-ZDUSSCGKSA-N 2 0 327.473 1.357 20 0 EDADRP C[NH+](C)C1CN(c2cc(N3CC([NH+](C)C)C3)c3ccncc3n2)C1 ZINC000283752607 443707120 /nfs/dbraw/zinc/70/71/20/443707120.db2.gz LJCURYLDYUHWQP-UHFFFAOYSA-N 2 0 326.448 1.130 20 0 EDADRP COC(=O)[C@@H]1C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000280710807 443742197 /nfs/dbraw/zinc/74/21/97/443742197.db2.gz JFIREPFOJBWVGU-DJIMGWMZSA-N 2 0 347.459 1.146 20 0 EDADRP Cc1cc2ccccc2n1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000531357245 320656894 /nfs/dbraw/zinc/65/68/94/320656894.db2.gz HEMXHCZMRHFLQL-UHFFFAOYSA-N 2 0 330.476 1.902 20 0 EDADRP CS[C@@H]1CN(c2cc(NC[C@@H](C)O)ncn2)C[C@H]1[NH+]1CCCC1 ZINC000298881877 443891752 /nfs/dbraw/zinc/89/17/52/443891752.db2.gz KZXFCRYSQVTLBU-MGPQQGTHSA-N 2 0 337.493 1.285 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000293013017 443902257 /nfs/dbraw/zinc/90/22/57/443902257.db2.gz HPXWJDZHKUEVQY-MOPGFXCFSA-N 2 0 335.467 1.441 20 0 EDADRP Cc1cccn2c(=O)cc(CN3CC[C@@]4(C3)CCC[N@@H+](C)C4)nc12 ZINC000293117294 443928817 /nfs/dbraw/zinc/92/88/17/443928817.db2.gz YWWDVFORBHIDCN-IBGZPJMESA-N 2 0 326.444 1.921 20 0 EDADRP C[C@@H](NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C)c1cccs1 ZINC000289169487 444068128 /nfs/dbraw/zinc/06/81/28/444068128.db2.gz FFURUORGTKFJHI-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000299482694 444058755 /nfs/dbraw/zinc/05/87/55/444058755.db2.gz DCWJVRNBPPFCQM-SFHVURJKSA-N 2 0 330.476 1.015 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NCCCC[NH+]2CCN(C)CC2)c1 ZINC000562770796 321076233 /nfs/dbraw/zinc/07/62/33/321076233.db2.gz OBSRPEVEHUVBAQ-UHFFFAOYSA-N 2 0 347.507 1.945 20 0 EDADRP C[C@H](CNC(=O)N1CCc2ccccc2[C@H]1C[NH3+])C[NH+]1CCCC1 ZINC000563093147 321094833 /nfs/dbraw/zinc/09/48/33/321094833.db2.gz WPDYPQVTYQXOIZ-CRAIPNDOSA-N 2 0 330.476 1.986 20 0 EDADRP CCCN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@H]1CC[NH2+]C1 ZINC000563099954 321095436 /nfs/dbraw/zinc/09/54/36/321095436.db2.gz ILJAGAYUJHVMMU-MSOLQXFVSA-N 2 0 330.476 1.894 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000563886023 321114499 /nfs/dbraw/zinc/11/44/99/321114499.db2.gz ZYVAIZPVYVSPQL-DLBZAZTESA-N 2 0 346.475 1.170 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2ccccc2)[C@H](C)C1 ZINC000563961334 321118162 /nfs/dbraw/zinc/11/81/62/321118162.db2.gz ZOOFNJGWOFCQBC-NZSAHSFTSA-N 2 0 347.503 1.810 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000564827512 321150820 /nfs/dbraw/zinc/15/08/20/321150820.db2.gz QKYMDTLNWJSIIO-ARLBYUKCSA-N 2 0 337.489 1.633 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]C[C@@H](O)COCc2ccccc2)CCCO1 ZINC000564863304 321152888 /nfs/dbraw/zinc/15/28/88/321152888.db2.gz IKYKFVVJCRQRCH-PKOBYXMFSA-N 2 0 336.476 1.655 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565190265 321175807 /nfs/dbraw/zinc/17/58/07/321175807.db2.gz KXSHEWPLSKJNMW-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000568189701 321279664 /nfs/dbraw/zinc/27/96/64/321279664.db2.gz QKGNLARLLVPDST-UHFFFAOYSA-N 2 0 347.507 1.783 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000568231759 321283537 /nfs/dbraw/zinc/28/35/37/321283537.db2.gz JNQOWQKVBCDAQX-AHCXZYCDSA-N 2 0 330.476 1.947 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000568288024 321286076 /nfs/dbraw/zinc/28/60/76/321286076.db2.gz SBQJQAGSQMTFKZ-LJQANCHMSA-N 2 0 344.503 1.944 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)cc1 ZINC000568501164 321294304 /nfs/dbraw/zinc/29/43/04/321294304.db2.gz FSQOBRJCNBVWET-KVSKMBFKSA-N 2 0 348.487 1.830 20 0 EDADRP CCN(CC)Cc1nc(C2(NC(=O)C[NH2+]C3CC3)CCCC2)no1 ZINC000568636629 321300034 /nfs/dbraw/zinc/30/00/34/321300034.db2.gz IBYWYAXVHOCOCU-UHFFFAOYSA-N 2 0 335.452 1.549 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000569001240 321314253 /nfs/dbraw/zinc/31/42/53/321314253.db2.gz YXSWUWSKOHFYNB-VQIMIIECSA-N 2 0 331.460 1.081 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1 ZINC000569927877 321332256 /nfs/dbraw/zinc/33/22/56/321332256.db2.gz OQVIIXCCVBISDG-RBSFLKMASA-N 2 0 340.512 1.245 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)NC1CC[NH2+]CC1 ZINC000570066355 321336242 /nfs/dbraw/zinc/33/62/42/321336242.db2.gz MYHDTPDDKAMSKC-SFHVURJKSA-N 2 0 346.475 1.329 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570817194 321360266 /nfs/dbraw/zinc/36/02/66/321360266.db2.gz GNYDVULKGZZAFE-PIIMJCKOSA-N 2 0 343.475 1.547 20 0 EDADRP c1ncn(CCN2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000285854726 444130242 /nfs/dbraw/zinc/13/02/42/444130242.db2.gz IGVCJVNUWIPFIM-IBGZPJMESA-N 2 0 340.475 1.170 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000285977789 444167509 /nfs/dbraw/zinc/16/75/09/444167509.db2.gz MRVHTBQJKVSHAN-KGLIPLIRSA-N 2 0 335.452 1.310 20 0 EDADRP NC(=O)c1c[nH+]ccc1NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000302147214 444206472 /nfs/dbraw/zinc/20/64/72/444206472.db2.gz JZHLEPXUBSOXRK-OAHLLOKOSA-N 2 0 326.400 1.359 20 0 EDADRP CN(CCC[N@H+](C)CCn1cnc2ccccc2c1=O)CC[NH+](C)C ZINC000289563027 444172515 /nfs/dbraw/zinc/17/25/15/444172515.db2.gz XYWKFIKERGNPOL-UHFFFAOYSA-N 2 0 345.491 1.212 20 0 EDADRP C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CCC[NH2+]1 ZINC000305217106 444265888 /nfs/dbraw/zinc/26/58/88/444265888.db2.gz RQVXZIGISLTQBL-IBGZPJMESA-N 2 0 331.460 1.402 20 0 EDADRP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000290050035 444235777 /nfs/dbraw/zinc/23/57/77/444235777.db2.gz BYZJUCSDRDNUQP-OAHLLOKOSA-N 2 0 346.479 1.917 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@](C)(O)C(F)(F)F)cn2)CC1 ZINC000577602160 321666206 /nfs/dbraw/zinc/66/62/06/321666206.db2.gz YJNOVSAOXJOYPM-HNNXBMFYSA-N 2 0 346.397 1.626 20 0 EDADRP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)CC1 ZINC000290796305 444324459 /nfs/dbraw/zinc/32/44/59/444324459.db2.gz VCIJFYCCKHEGMP-QGZVFWFLSA-N 2 0 335.473 1.563 20 0 EDADRP COCC1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000311100695 444292665 /nfs/dbraw/zinc/29/26/65/444292665.db2.gz KCSBCMDDJMWXME-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP COc1cc(F)c(CN(CC[NH+](C)C)CC[NH+](C)C)cc1OC ZINC000578198311 321737090 /nfs/dbraw/zinc/73/70/90/321737090.db2.gz NUGNPJIFQLCMQC-UHFFFAOYSA-N 2 0 327.444 1.768 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C1 ZINC000324446792 444355116 /nfs/dbraw/zinc/35/51/16/444355116.db2.gz CTGUNLFVYIZJJZ-PBHICJAKSA-N 2 0 328.460 1.884 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCC[C@H]2[NH3+])[C@@H](C)C1 ZINC000340114955 444362306 /nfs/dbraw/zinc/36/23/06/444362306.db2.gz VAYPBKPISNMFTM-NXOAAHMSSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000331026364 444364238 /nfs/dbraw/zinc/36/42/38/444364238.db2.gz WPTVVUAHVQZJKC-OAHLLOKOSA-N 2 0 339.505 1.758 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)[C@@H](n2cncn2)C1 ZINC000328842962 444371398 /nfs/dbraw/zinc/37/13/98/444371398.db2.gz QICZROGWYYICAZ-XXQMMXQMSA-N 2 0 347.507 1.975 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000579580579 321949564 /nfs/dbraw/zinc/94/95/64/321949564.db2.gz DGAODQULYAXOIP-ZOBUZTSGSA-N 2 0 337.489 1.557 20 0 EDADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000579834350 321976363 /nfs/dbraw/zinc/97/63/63/321976363.db2.gz XEOWPRNKJJBTBT-UHFFFAOYSA-N 2 0 344.459 1.117 20 0 EDADRP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000329166159 444489769 /nfs/dbraw/zinc/48/97/69/444489769.db2.gz HXQMGYJTAASHCH-RRFJBIMHSA-N 2 0 327.494 1.159 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000338048501 444499276 /nfs/dbraw/zinc/49/92/76/444499276.db2.gz FIFMWBMJMLYOCY-HKUYNNGSSA-N 2 0 338.540 1.641 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000580412516 322047117 /nfs/dbraw/zinc/04/71/17/322047117.db2.gz CHQFXRDLTXNRFP-OAHLLOKOSA-N 2 0 342.871 1.478 20 0 EDADRP C[N@@H+]1CC[C@](O)(CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000580873129 322105866 /nfs/dbraw/zinc/10/58/66/322105866.db2.gz QDJGWJCXJWLPKK-HAGHYFMRSA-N 2 0 329.488 1.838 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@H]2CCC[C@@H]21 ZINC000580908331 322111311 /nfs/dbraw/zinc/11/13/11/322111311.db2.gz IOONCURCKOEPJN-IKGGRYGDSA-N 2 0 334.485 1.979 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000581069141 322132065 /nfs/dbraw/zinc/13/20/65/322132065.db2.gz BGLNIRGLEMRQNF-KSZLIROESA-N 2 0 328.460 1.642 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CCn1cnc3ccccc3c1=O)CC[NH2+]CC2 ZINC000581185500 322146179 /nfs/dbraw/zinc/14/61/79/322146179.db2.gz QGIVMOLYMHDLTD-HNNXBMFYSA-N 2 0 326.444 1.861 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)[C@@H]2C1 ZINC000332189545 444504099 /nfs/dbraw/zinc/50/40/99/444504099.db2.gz XLAOYFLDLPCJAC-IKGGRYGDSA-N 2 0 331.460 1.644 20 0 EDADRP COC(=O)c1cn([C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nn1 ZINC000582008551 322244740 /nfs/dbraw/zinc/24/47/40/322244740.db2.gz RAKIFDZQQWUGAJ-MRXNPFEDSA-N 2 0 341.415 1.157 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000332272829 444507290 /nfs/dbraw/zinc/50/72/90/444507290.db2.gz GWZBRHFDIYFDCA-CIRFHOKZSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000332290925 444508943 /nfs/dbraw/zinc/50/89/43/444508943.db2.gz JHRDLLNZDIYSCW-XLNGHYISSA-N 2 0 338.496 1.133 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343694893 444526548 /nfs/dbraw/zinc/52/65/48/444526548.db2.gz PXIPCTRDQVKJEG-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)N2CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000343706729 444533533 /nfs/dbraw/zinc/53/35/33/444533533.db2.gz HIQVZOPEUKIXRM-QGZVFWFLSA-N 2 0 336.524 1.489 20 0 EDADRP Cn1cccc1C[NH2+][C@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000338190038 444556320 /nfs/dbraw/zinc/55/63/20/444556320.db2.gz FALSLBJBZFYMPC-GOSISDBHSA-N 2 0 328.460 1.404 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000340941644 444587626 /nfs/dbraw/zinc/58/76/26/444587626.db2.gz UHUBHHHHNYABMY-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@H]1[NH3+] ZINC000333463151 444673846 /nfs/dbraw/zinc/67/38/46/444673846.db2.gz ZKZMUPKVQZUDNZ-RHSMWYFYSA-N 2 0 330.476 1.464 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]C1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333860874 444704043 /nfs/dbraw/zinc/70/40/43/444704043.db2.gz SAMGZVRDMHONRU-KRWDZBQOSA-N 2 0 338.496 1.130 20 0 EDADRP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ncn1 ZINC000333895637 444711416 /nfs/dbraw/zinc/71/14/16/444711416.db2.gz YGDPTVHUWRBVLN-PMPSAXMXSA-N 2 0 331.464 1.264 20 0 EDADRP CC1(C)CN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000333942035 444723932 /nfs/dbraw/zinc/72/39/32/444723932.db2.gz PQCQQTIQCUWQFN-UHFFFAOYSA-N 2 0 331.464 1.439 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CC[NH+](CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000341204605 444728207 /nfs/dbraw/zinc/72/82/07/444728207.db2.gz PWMOMWYKTLZMOE-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000334027173 444751458 /nfs/dbraw/zinc/75/14/58/444751458.db2.gz HXZIGGQGFZSQDN-ZIAGYGMSSA-N 2 0 333.480 1.889 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000334043636 444758499 /nfs/dbraw/zinc/75/84/99/444758499.db2.gz PGTWTVUUAXMLCJ-ULQDDVLXSA-N 2 0 338.496 1.148 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000334043634 444758618 /nfs/dbraw/zinc/75/86/18/444758618.db2.gz PGTWTVUUAXMLCJ-BBWFWOEESA-N 2 0 338.496 1.148 20 0 EDADRP CN(CCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000344080771 444770254 /nfs/dbraw/zinc/77/02/54/444770254.db2.gz ZKMQRXFRHWPADI-IBGZPJMESA-N 2 0 346.519 1.997 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000342694591 444818494 /nfs/dbraw/zinc/81/84/94/444818494.db2.gz OFBNLRFABJXYBI-HOTGVXAUSA-N 2 0 333.432 1.048 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000341463507 444845046 /nfs/dbraw/zinc/84/50/46/444845046.db2.gz PORDQFFDWHNQAE-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000344242523 444859481 /nfs/dbraw/zinc/85/94/81/444859481.db2.gz OBQSMHMFNUPNII-GOSISDBHSA-N 2 0 338.455 1.944 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000344392370 444937717 /nfs/dbraw/zinc/93/77/17/444937717.db2.gz VXWRKWIFHCQLKL-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c(C)n1 ZINC000341833629 445024518 /nfs/dbraw/zinc/02/45/18/445024518.db2.gz HRHDGJIREJKPLB-OGHNNQOOSA-N 2 0 344.459 1.826 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)C2(CCO)CCOCC2)CC1 ZINC000337315926 445029536 /nfs/dbraw/zinc/02/95/36/445029536.db2.gz KGLQOXKBEZHATK-UHFFFAOYSA-N 2 0 327.513 1.266 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCN2CCO[C@@H](C)C2)CC1 ZINC000337242937 445000642 /nfs/dbraw/zinc/00/06/42/445000642.db2.gz HALFUNBTFQFVIG-KRWDZBQOSA-N 2 0 327.513 1.530 20 0 EDADRP C[N@H+](CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1)C1CCCCC1 ZINC000344489390 445006344 /nfs/dbraw/zinc/00/63/44/445006344.db2.gz KAVJKKYOILKHIT-UHFFFAOYSA-N 2 0 347.507 1.733 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000341882616 445051553 /nfs/dbraw/zinc/05/15/53/445051553.db2.gz JGRAGHUZRXPPLS-DLBZAZTESA-N 2 0 325.497 1.439 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000343147832 445095566 /nfs/dbraw/zinc/09/55/66/445095566.db2.gz DEEFEVKZWAVXKX-BHIYHBOVSA-N 2 0 342.487 1.328 20 0 EDADRP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337479094 445098980 /nfs/dbraw/zinc/09/89/80/445098980.db2.gz ZURUFGADOGVFAK-GOSISDBHSA-N 2 0 346.519 1.775 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000337500616 445106955 /nfs/dbraw/zinc/10/69/55/445106955.db2.gz AZVCHDHZNHKZBF-UHFFFAOYSA-N 2 0 327.513 1.804 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCOc3ccccc3F)C[C@H]21 ZINC000342082901 445162142 /nfs/dbraw/zinc/16/21/42/445162142.db2.gz JIABRVPSOCTVTN-BFYDXBDKSA-N 2 0 349.450 1.770 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C[C@@H](C)O1 ZINC000343243958 445157015 /nfs/dbraw/zinc/15/70/15/445157015.db2.gz GNTBGYCVKSPCBK-UJWQCDCRSA-N 2 0 339.524 1.623 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000346236817 445209078 /nfs/dbraw/zinc/20/90/78/445209078.db2.gz MHMGKINWPVQHGQ-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H]1CCO[C@@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000343402943 445216495 /nfs/dbraw/zinc/21/64/95/445216495.db2.gz MRMMVWNDFNAPBD-WDSOQIARSA-N 2 0 349.523 1.359 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000346964293 445228882 /nfs/dbraw/zinc/22/88/82/445228882.db2.gz NJNHMZFKRJJRKE-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)[N@H+](C)C1 ZINC000347542814 445242137 /nfs/dbraw/zinc/24/21/37/445242137.db2.gz MOXHEDWQMCYZBH-RBSFLKMASA-N 2 0 328.501 1.323 20 0 EDADRP COC(=O)CN(C)C(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347951986 445258087 /nfs/dbraw/zinc/25/80/87/445258087.db2.gz JMISKOYNQSQSHY-GJZGRUSLSA-N 2 0 339.480 1.251 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123220 445280972 /nfs/dbraw/zinc/28/09/72/445280972.db2.gz DGFFEJVZELZVPV-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)CC[C@H]3CCCC[NH+]3C)CC2)CCO1 ZINC000351706388 445282941 /nfs/dbraw/zinc/28/29/41/445282941.db2.gz IOZOGNWOVLMSOA-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](C)[C@H](O)C2)CC1 ZINC000351805409 445327045 /nfs/dbraw/zinc/32/70/45/445327045.db2.gz BXKMQCSXRXGVKD-VQIMIIECSA-N 2 0 345.487 1.388 20 0 EDADRP COCc1cccc(CNC(=O)C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357100379 445428174 /nfs/dbraw/zinc/42/81/74/445428174.db2.gz DVDGWRYIVXAEHM-IBGZPJMESA-N 2 0 345.487 1.771 20 0 EDADRP Cc1[nH]nc2ncc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc12 ZINC000348908286 445437413 /nfs/dbraw/zinc/43/74/13/445437413.db2.gz YTZJBGIUIBQJMF-UHFFFAOYSA-N 2 0 332.496 1.972 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564830 445442309 /nfs/dbraw/zinc/44/23/09/445442309.db2.gz OHQIKIBRDSVIHH-GJZGRUSLSA-N 2 0 333.480 1.729 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000352274510 445516834 /nfs/dbraw/zinc/51/68/34/445516834.db2.gz GWZWHQZZCACGTG-MRXNPFEDSA-N 2 0 331.526 1.608 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)NCCCC[NH+]1CCOCC1)C(C)C ZINC000355802174 445486272 /nfs/dbraw/zinc/48/62/72/445486272.db2.gz VJDQEWXFZVOQKN-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000359924904 445490773 /nfs/dbraw/zinc/49/07/73/445490773.db2.gz PMKQXKJDXQXKKJ-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP C[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000357243331 445503044 /nfs/dbraw/zinc/50/30/44/445503044.db2.gz NYIOIALWVBETOL-KBPBESRZSA-N 2 0 348.466 1.610 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000362799618 445555900 /nfs/dbraw/zinc/55/59/00/445555900.db2.gz WVKQVDUGDIFCST-IAGOWNOFSA-N 2 0 345.491 1.612 20 0 EDADRP CCc1nc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)co1 ZINC000355998754 445564739 /nfs/dbraw/zinc/56/47/39/445564739.db2.gz LKLBHLXVVPKZBF-UHFFFAOYSA-N 2 0 343.431 1.574 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(CC)CCC[NH+](C)C ZINC000349405700 445579698 /nfs/dbraw/zinc/57/96/98/445579698.db2.gz AGYBZHIGVLJBGX-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000362860933 445585087 /nfs/dbraw/zinc/58/50/87/445585087.db2.gz CNAMZAQJNUGIBV-IRXDYDNUSA-N 2 0 336.524 1.251 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000353459224 445612118 /nfs/dbraw/zinc/61/21/18/445612118.db2.gz LLHPOAKNLFCDTJ-IRXDYDNUSA-N 2 0 333.480 1.194 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(OC[C@@H](O)C[NH+](C)C)cc1 ZINC000362936444 445616789 /nfs/dbraw/zinc/61/67/89/445616789.db2.gz VNFKWBXWEPFUHS-UKPHBRMFSA-N 2 0 335.448 1.124 20 0 EDADRP CN(C(=O)NCC[NH+]1CCc2ccccc2C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000349644723 445632257 /nfs/dbraw/zinc/63/22/57/445632257.db2.gz LOPHNCOEUOEBLO-IBGZPJMESA-N 2 0 342.487 1.923 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363091338 445673555 /nfs/dbraw/zinc/67/35/55/445673555.db2.gz CARUGISSQPQOSZ-CVEARBPZSA-N 2 0 347.459 1.220 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)CC(C)C ZINC000358658434 445698052 /nfs/dbraw/zinc/69/80/52/445698052.db2.gz DZIAEKHVNSJGNZ-DOTOQJQBSA-N 2 0 328.501 1.109 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000349905075 445717960 /nfs/dbraw/zinc/71/79/60/445717960.db2.gz DOEMMZGDKKDIOB-LJQANCHMSA-N 2 0 341.540 1.653 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000349937089 445726637 /nfs/dbraw/zinc/72/66/37/445726637.db2.gz RKONVCDMPNYZNJ-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1=CCCOC1 ZINC000358706805 445731157 /nfs/dbraw/zinc/73/11/57/445731157.db2.gz COLYXXDMRVUVES-QGZVFWFLSA-N 2 0 338.496 1.391 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1c[nH]c2nccnc12 ZINC000356319428 445733082 /nfs/dbraw/zinc/73/30/82/445733082.db2.gz NGOVSSRWWYWKLI-UHFFFAOYSA-N 2 0 340.431 1.925 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@]1(O)CC[N@H+](C)C1)c1ccco1 ZINC000358710599 445734592 /nfs/dbraw/zinc/73/45/92/445734592.db2.gz SSQNDWBIVWIHJY-RHSMWYFYSA-N 2 0 338.452 1.028 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCC(=O)NC(=O)NC)CC1)CC(C)C ZINC000358733837 445749651 /nfs/dbraw/zinc/74/96/51/445749651.db2.gz CYMABBIOCVHKNS-UHFFFAOYSA-N 2 0 340.512 1.912 20 0 EDADRP CC[C@H](C(=O)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C)[NH+](CC)CC ZINC000353777409 445750671 /nfs/dbraw/zinc/75/06/71/445750671.db2.gz CWUOECLVOUPYST-CVEARBPZSA-N 2 0 340.512 1.166 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356378798 445761056 /nfs/dbraw/zinc/76/10/56/445761056.db2.gz BKTFHWRDDGHMBX-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+]1CCC(C(=O)OC)CC1 ZINC000350071410 445761702 /nfs/dbraw/zinc/76/17/02/445761702.db2.gz GTCFLIVNEVHQQV-MRXNPFEDSA-N 2 0 339.480 1.252 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000363475449 445819095 /nfs/dbraw/zinc/81/90/95/445819095.db2.gz WRGBJOFNUSCKMF-SQNIBIBYSA-N 2 0 331.460 1.659 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000353863721 445789050 /nfs/dbraw/zinc/78/90/50/445789050.db2.gz WZBDCJWBQBTJIW-INIZCTEOSA-N 2 0 346.475 1.865 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CCCC2)C1 ZINC000350283914 445805956 /nfs/dbraw/zinc/80/59/56/445805956.db2.gz ATDLDJNEUFSIHA-WBVHZDCISA-N 2 0 325.497 1.866 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358861259 445816016 /nfs/dbraw/zinc/81/60/16/445816016.db2.gz FRQFKESSELNNEO-QGZVFWFLSA-N 2 0 337.439 1.485 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350619196 445856260 /nfs/dbraw/zinc/85/62/60/445856260.db2.gz PJFGLAJFNXVJNQ-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCC[N@@H+]1C ZINC000350619395 445856288 /nfs/dbraw/zinc/85/62/88/445856288.db2.gz QNJUDKXLNHRJRZ-QLFBSQMISA-N 2 0 340.512 1.068 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358961492 445866005 /nfs/dbraw/zinc/86/60/05/445866005.db2.gz VHLSPCIYYSFZFH-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000361765330 445927619 /nfs/dbraw/zinc/92/76/19/445927619.db2.gz OPVLNIFBODOPPR-QGZVFWFLSA-N 2 0 347.463 1.024 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000582230673 325802915 /nfs/dbraw/zinc/80/29/15/325802915.db2.gz QRFGUXSOJJEPSS-KSZLIROESA-N 2 0 330.476 1.977 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+]([C@@H](C)C(=O)N[C@@H](C)CC)CC2)CC1 ZINC000369156977 445960112 /nfs/dbraw/zinc/96/01/12/445960112.db2.gz QGZKWVVOZGECNR-IRXDYDNUSA-N 2 0 338.540 1.782 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369203075 445991212 /nfs/dbraw/zinc/99/12/12/445991212.db2.gz FUSHCZDABLGIID-IXDOHACOSA-N 2 0 338.496 1.101 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)C[C@@H]1C ZINC000361790684 445949046 /nfs/dbraw/zinc/94/90/46/445949046.db2.gz VPZZWBWTYAKURL-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1 ZINC000583025987 325983413 /nfs/dbraw/zinc/98/34/13/325983413.db2.gz JXLJAIBXFWGGRB-WBAXXEDZSA-N 2 0 331.460 1.946 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C[C@H](C)O1 ZINC000373076330 446010523 /nfs/dbraw/zinc/01/05/23/446010523.db2.gz MLMYVHAAWPOCPN-GJZGRUSLSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583080967 325995332 /nfs/dbraw/zinc/99/53/32/325995332.db2.gz FALPHYZNFQLWBG-JQHSSLGASA-N 2 0 330.476 1.089 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000583435164 326072167 /nfs/dbraw/zinc/07/21/67/326072167.db2.gz SBZBXJGNKIAKSG-INIZCTEOSA-N 2 0 342.447 1.194 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000583811673 326144944 /nfs/dbraw/zinc/14/49/44/326144944.db2.gz PAJUQGGPZHBQFG-CVEARBPZSA-N 2 0 334.468 1.163 20 0 EDADRP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000584285841 326234886 /nfs/dbraw/zinc/23/48/86/326234886.db2.gz YBWBWUQZVPITRT-BFYDXBDKSA-N 2 0 333.480 1.401 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000373182163 446081291 /nfs/dbraw/zinc/08/12/91/446081291.db2.gz ZQABNHSZIFBCRI-DVOMOZLQSA-N 2 0 325.478 1.611 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)[C@@H]1C ZINC000354351101 446134693 /nfs/dbraw/zinc/13/46/93/446134693.db2.gz JNNYLGMBWZVGJK-YVSFHVDLSA-N 2 0 325.497 1.437 20 0 EDADRP c1ccc(-c2nnn(CCCCC[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000359270627 446108547 /nfs/dbraw/zinc/10/85/47/446108547.db2.gz FPJSBPLLKHVPBS-IAGOWNOFSA-N 2 0 326.448 1.662 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000356904460 446110895 /nfs/dbraw/zinc/11/08/95/446110895.db2.gz TZUKRZJFXAHRNW-UHOSZYNNSA-N 2 0 347.503 1.680 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CCC3)C(=O)O2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000365277280 446121939 /nfs/dbraw/zinc/12/19/39/446121939.db2.gz TTXRBPAEJZNDPZ-BRWVUGGUSA-N 2 0 335.492 1.430 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@]2(CCO)CCOC2)[C@@H](C)C1 ZINC000361982815 446127350 /nfs/dbraw/zinc/12/73/50/446127350.db2.gz LHCQARVKLZGTLR-BZSNNMDCSA-N 2 0 328.497 1.502 20 0 EDADRP C[C@H]([NH2+]CCNc1cnccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361983312 446127682 /nfs/dbraw/zinc/12/76/82/446127682.db2.gz UEOVAHPCCLMLJE-HNNXBMFYSA-N 2 0 329.448 2.180 20 0 EDADRP Cc1ccncc1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000354344765 446128680 /nfs/dbraw/zinc/12/86/80/446128680.db2.gz AMGONJBDOHJEIT-UHFFFAOYSA-N 2 0 340.475 1.872 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)CCC3OCCO3)CC2)CC1 ZINC000373354569 446177980 /nfs/dbraw/zinc/17/79/80/446177980.db2.gz PPBFORDECUHZIZ-UHFFFAOYSA-N 2 0 339.524 1.878 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000366327169 446154343 /nfs/dbraw/zinc/15/43/43/446154343.db2.gz SPVGPRAREPVBSH-FGTMMUONSA-N 2 0 330.476 1.927 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](C(C)C)CC2)[C@@H]1C ZINC000354429355 446197707 /nfs/dbraw/zinc/19/77/07/446197707.db2.gz WTPKCVYFDGKNBN-OWCLPIDISA-N 2 0 326.481 1.789 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000351623071 446216944 /nfs/dbraw/zinc/21/69/44/446216944.db2.gz GJOURYBVBKHDPS-DZVNLGKHSA-N 2 0 337.508 1.863 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCCCS(C)(=O)=O ZINC000373459759 446224791 /nfs/dbraw/zinc/22/47/91/446224791.db2.gz GVWMKLXUQSBZKK-BRWVUGGUSA-N 2 0 346.537 1.680 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCN([C@H]3CCC[NH+](C)C3)CC2)C[N@@H+]1C1CC1 ZINC000370323248 446230693 /nfs/dbraw/zinc/23/06/93/446230693.db2.gz DGVMIZNLXQRWKI-RYRKJORJSA-N 2 0 349.523 1.033 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000365498339 446231789 /nfs/dbraw/zinc/23/17/89/446231789.db2.gz NDUCXLMZNRZCQH-GVDBMIGSSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000365602819 446270300 /nfs/dbraw/zinc/27/03/00/446270300.db2.gz OXPDMJDRBNSQOD-MAUKXSAKSA-N 2 0 343.487 1.552 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)[C@@H]1SC ZINC000362301331 446311590 /nfs/dbraw/zinc/31/15/90/446311590.db2.gz ZIDXAZZBEOONHA-LLLHUVSDSA-N 2 0 328.522 1.986 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCOc3ccccc3C2)CC[N@@H+]1C ZINC000370541626 446324495 /nfs/dbraw/zinc/32/44/95/446324495.db2.gz HZNVHCHHIQYHMI-DOTOQJQBSA-N 2 0 331.460 1.870 20 0 EDADRP CCS(=O)(=O)CCN(C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000365789854 446343939 /nfs/dbraw/zinc/34/39/39/446343939.db2.gz ZZNDZDRSTPNCBP-UHFFFAOYSA-N 2 0 340.493 1.429 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000417445192 446352054 /nfs/dbraw/zinc/35/20/54/446352054.db2.gz FUXTUDQHKKXDLH-CABCVRRESA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417508530 446357396 /nfs/dbraw/zinc/35/73/96/446357396.db2.gz TUZMJAZPEGFZPJ-FUHWJXTLSA-N 2 0 332.492 1.978 20 0 EDADRP C[NH+]1CC[C@H](NC(=O)NC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000366854515 446382967 /nfs/dbraw/zinc/38/29/67/446382967.db2.gz PUYXCMHNEGXZIY-IKGGRYGDSA-N 2 0 334.439 1.964 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[NH+]2CCCC2)c1 ZINC000376241489 446396027 /nfs/dbraw/zinc/39/60/27/446396027.db2.gz TVGAWGJNOWAWCI-CMKODMSKSA-N 2 0 343.471 1.948 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)ccn1 ZINC000417949411 446396187 /nfs/dbraw/zinc/39/61/87/446396187.db2.gz KDWFZFMLADUAKE-INIZCTEOSA-N 2 0 349.479 1.339 20 0 EDADRP C[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000418081895 446434226 /nfs/dbraw/zinc/43/42/26/446434226.db2.gz WCSWWPAOHRJGBD-NVXWUHKLSA-N 2 0 348.516 1.607 20 0 EDADRP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000420286809 446452845 /nfs/dbraw/zinc/45/28/45/446452845.db2.gz FQOKNDBNENSJHN-ZBFHGGJFSA-N 2 0 346.475 1.363 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1CC[NH2+]C1)C1CC1 ZINC000418148204 446442106 /nfs/dbraw/zinc/44/21/06/446442106.db2.gz REGIFVNRGOZTPI-WMZOPIPTSA-N 2 0 330.476 1.806 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019764 446417671 /nfs/dbraw/zinc/41/76/71/446417671.db2.gz YHELSMFCLIQYHS-BGTYHANMSA-N 2 0 328.460 1.368 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418190875 446454110 /nfs/dbraw/zinc/45/41/10/446454110.db2.gz KAGJUROGHLKRLV-GOEBONIOSA-N 2 0 349.479 1.339 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)CC[NH+](C)CC1 ZINC000418193949 446455416 /nfs/dbraw/zinc/45/54/16/446455416.db2.gz CVIZGJKDDUZAOZ-AWEZNQCLSA-N 2 0 328.526 1.584 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420295517 446456991 /nfs/dbraw/zinc/45/69/91/446456991.db2.gz PKSANHWWIHBONK-KBPBESRZSA-N 2 0 347.459 1.537 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000418208460 446458351 /nfs/dbraw/zinc/45/83/51/446458351.db2.gz QLJBWAIXSLNCQH-RDJZCZTQSA-N 2 0 334.464 1.819 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)c1ccccc1 ZINC000418220562 446462430 /nfs/dbraw/zinc/46/24/30/446462430.db2.gz HDGYAKCNDHLMNA-KRWDZBQOSA-N 2 0 334.464 1.488 20 0 EDADRP CSc1ccc([C@H](CNC(=O)N2C[C@H](C)[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000418227922 446465171 /nfs/dbraw/zinc/46/51/71/446465171.db2.gz DDKYEKVNFCRLER-MAZHCROVSA-N 2 0 336.505 2.000 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000420304652 446467740 /nfs/dbraw/zinc/46/77/40/446467740.db2.gz FHJVZKJPRPUBRG-IRXDYDNUSA-N 2 0 348.491 1.057 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423273060 446469977 /nfs/dbraw/zinc/46/99/77/446469977.db2.gz KGGQDSPGHISZFW-KCQAQPDRSA-N 2 0 325.478 1.729 20 0 EDADRP COc1cccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000420309986 446473756 /nfs/dbraw/zinc/47/37/56/446473756.db2.gz LVGLOZMXHGOUMS-OAHLLOKOSA-N 2 0 335.448 1.394 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1Cc1nc(N)nc(Nc2ccc(F)cc2)n1 ZINC000420311992 446475992 /nfs/dbraw/zinc/47/59/92/446475992.db2.gz HKKBXLYLPVSCHZ-WDEREUQCSA-N 2 0 331.399 1.506 20 0 EDADRP [NH3+]CCCn1cc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)nn1 ZINC000423298517 446477408 /nfs/dbraw/zinc/47/74/08/446477408.db2.gz AJDUPGDSHXWFEK-KRWDZBQOSA-N 2 0 342.447 1.194 20 0 EDADRP CN(C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1COc2ccccc2O1 ZINC000420318326 446482981 /nfs/dbraw/zinc/48/29/81/446482981.db2.gz OMFYXIVEYJTZSX-SQNIBIBYSA-N 2 0 342.439 1.689 20 0 EDADRP CCOC(=O)[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CCC[NH2+]CC1 ZINC000420317499 446483683 /nfs/dbraw/zinc/48/36/83/446483683.db2.gz UQNUEJJWAPZDPM-CABCVRRESA-N 2 0 325.453 1.005 20 0 EDADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1CCCCCC1 ZINC000432547329 446484977 /nfs/dbraw/zinc/48/49/77/446484977.db2.gz SXEKYHYHUBOVCJ-SJORKVTESA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1([NH3+])CCCCC1 ZINC000418297150 446490413 /nfs/dbraw/zinc/49/04/13/446490413.db2.gz NCZAOUIHSFDERQ-UHFFFAOYSA-N 3 0 341.544 1.563 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420326737 446492500 /nfs/dbraw/zinc/49/25/00/446492500.db2.gz KQFAHPXDLSVLLI-FUHWJXTLSA-N 2 0 345.487 1.721 20 0 EDADRP COc1cccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331179 446501135 /nfs/dbraw/zinc/50/11/35/446501135.db2.gz BSHQIUVPENEEOG-QZTJIDSGSA-N 2 0 345.487 1.975 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331477 446501560 /nfs/dbraw/zinc/50/15/60/446501560.db2.gz CAASRIGPOWKYLP-ZIAGYGMSSA-N 2 0 331.416 1.675 20 0 EDADRP COC[C@H](CCC[NH3+])N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423362451 446502045 /nfs/dbraw/zinc/50/20/45/446502045.db2.gz HVSHOKBJBDRJJL-ZQIUZPCESA-N 3 0 327.419 1.754 20 0 EDADRP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000420332635 446502359 /nfs/dbraw/zinc/50/23/59/446502359.db2.gz GQVVRAJUHPESAZ-MRXNPFEDSA-N 2 0 330.476 1.192 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341243 446507296 /nfs/dbraw/zinc/50/72/96/446507296.db2.gz OVEDQEZYHPDMHN-IAGOWNOFSA-N 3 0 339.528 1.044 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418340501 446507631 /nfs/dbraw/zinc/50/76/31/446507631.db2.gz LLVTYXKSRALZIN-SJORKVTESA-N 3 0 341.544 1.290 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000420342435 446513542 /nfs/dbraw/zinc/51/35/42/446513542.db2.gz PJWGVFRYEMFVEL-CABCVRRESA-N 2 0 347.459 1.964 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423391261 446514075 /nfs/dbraw/zinc/51/40/75/446514075.db2.gz NLGOZEINZISLGO-GJZGRUSLSA-N 2 0 333.480 1.443 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[C@H](C)C1 ZINC000423392016 446515654 /nfs/dbraw/zinc/51/56/54/446515654.db2.gz XGSMGQNCPFVSNG-OAGGEKHMSA-N 2 0 340.512 1.007 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423354391 446498269 /nfs/dbraw/zinc/49/82/69/446498269.db2.gz CVSDLDKVSILKEZ-QKPAOTATSA-N 2 0 347.507 1.973 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000423361212 446500371 /nfs/dbraw/zinc/50/03/71/446500371.db2.gz RGPXSDANRJVMAW-UYAOXDASSA-N 2 0 345.487 1.293 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000418487434 446562328 /nfs/dbraw/zinc/56/23/28/446562328.db2.gz ILFDECURVDRWAC-YKDOHLLJSA-N 2 0 338.496 1.038 20 0 EDADRP O=C(NCC1C[NH2+]C1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000418488586 446562735 /nfs/dbraw/zinc/56/27/35/446562735.db2.gz MWZMDZXUODEFMU-FQEVSTJZSA-N 2 0 342.487 1.904 20 0 EDADRP CC(=O)c1ccccc1OCC[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388667 446563354 /nfs/dbraw/zinc/56/33/54/446563354.db2.gz MCHMSDMRHFOFOE-MSOLQXFVSA-N 2 0 344.455 1.968 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc(=O)n2c1 ZINC000420346088 446518608 /nfs/dbraw/zinc/51/86/08/446518608.db2.gz XJYNSEFNMCLGIN-HOTGVXAUSA-N 2 0 326.444 1.824 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCCO2 ZINC000420346271 446519461 /nfs/dbraw/zinc/51/94/61/446519461.db2.gz XYJNRPXDUXPVQC-HUUCEWRRSA-N 2 0 345.443 1.718 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000423404641 446520302 /nfs/dbraw/zinc/52/03/02/446520302.db2.gz ZYYQLVWWGKERRY-YJBOKZPZSA-N 2 0 339.524 1.835 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423409811 446521808 /nfs/dbraw/zinc/52/18/08/446521808.db2.gz CGSKCHGTPXDSOK-OIISXLGYSA-N 2 0 331.464 1.506 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423409285 446522194 /nfs/dbraw/zinc/52/21/94/446522194.db2.gz BPBKBMDFHVIVEW-SJLPKXTDSA-N 2 0 337.508 1.901 20 0 EDADRP Fc1cc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)ccc1Cl ZINC000420347540 446523215 /nfs/dbraw/zinc/52/32/15/446523215.db2.gz HGZPNVIFZLCYHY-ZDUSSCGKSA-N 2 0 327.831 1.837 20 0 EDADRP O=C1[C@H]([N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CCCN1c1cccc(F)c1 ZINC000420347416 446523906 /nfs/dbraw/zinc/52/39/06/446523906.db2.gz GPAIIKLCDUMNFJ-QZTJIDSGSA-N 2 0 346.450 1.301 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000423422915 446529447 /nfs/dbraw/zinc/52/94/47/446529447.db2.gz DFFXDKDUELQCCW-WBVHZDCISA-N 2 0 327.513 1.955 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)CC[NH2+]C1 ZINC000423424206 446529944 /nfs/dbraw/zinc/52/99/44/446529944.db2.gz MSINPGKUSKXFKQ-IBGZPJMESA-N 2 0 344.459 1.768 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418403256 446530612 /nfs/dbraw/zinc/53/06/12/446530612.db2.gz BSXDYKORPGGMJI-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423428238 446532187 /nfs/dbraw/zinc/53/21/87/446532187.db2.gz OENAXCHGGMSSSN-LSDHHAIUSA-N 2 0 333.480 1.871 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1Cc1ccccc1 ZINC000423434985 446535693 /nfs/dbraw/zinc/53/56/93/446535693.db2.gz KZIUAIJSNHUNLW-GDBMZVCRSA-N 2 0 342.447 1.020 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](c3ccnc(N)n3)C2)cc1 ZINC000420358511 446538647 /nfs/dbraw/zinc/53/86/47/446538647.db2.gz JGWMPKZFGDQIGO-HZPDHXFCSA-N 2 0 341.459 1.989 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418441929 446545194 /nfs/dbraw/zinc/54/51/94/446545194.db2.gz CZWSINPODJGNTI-IAGOWNOFSA-N 2 0 334.464 1.439 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453241992 446551069 /nfs/dbraw/zinc/55/10/69/446551069.db2.gz DZNJDKOFYMUWAU-BZPMIXESSA-N 2 0 342.281 1.929 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000453246915 446551289 /nfs/dbraw/zinc/55/12/89/446551289.db2.gz JVYBHULXDAIXTB-WCQYABFASA-N 2 0 328.254 1.541 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420376047 446551908 /nfs/dbraw/zinc/55/19/08/446551908.db2.gz JLYHQDWZPRUYDY-BPUTZDHNSA-N 2 0 325.497 1.898 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420394845 446569177 /nfs/dbraw/zinc/56/91/77/446569177.db2.gz SBQWEQZZDJMUHG-HOTGVXAUSA-N 2 0 325.497 1.757 20 0 EDADRP COCC[NH2+]CCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418504257 446570006 /nfs/dbraw/zinc/57/00/06/446570006.db2.gz ASXHZZRJSFKBRV-SJORKVTESA-N 2 0 348.491 1.527 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418514626 446575398 /nfs/dbraw/zinc/57/53/98/446575398.db2.gz AWYURYRHDZZPEF-IXPVHAAZSA-N 2 0 326.391 1.447 20 0 EDADRP CC[C@@H](CO)[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000411506549 446575553 /nfs/dbraw/zinc/57/55/53/446575553.db2.gz QHASTAABTBGKEW-IBGZPJMESA-N 2 0 347.503 1.860 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000418529366 446582311 /nfs/dbraw/zinc/58/23/11/446582311.db2.gz TXLSHLNHTNROOI-SJLPKXTDSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418552598 446590876 /nfs/dbraw/zinc/59/08/76/446590876.db2.gz RXJGORMOQNFMSA-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418582777 446602114 /nfs/dbraw/zinc/60/21/14/446602114.db2.gz VUFVEXAOIJGBIG-YOEHRIQHSA-N 2 0 336.455 1.897 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)C1 ZINC000418626943 446620010 /nfs/dbraw/zinc/62/00/10/446620010.db2.gz AHSIUMBOTARQBO-DOTOQJQBSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000423691605 446643571 /nfs/dbraw/zinc/64/35/71/446643571.db2.gz IVSQFRBMQLOOGF-HRCADAONSA-N 2 0 338.496 1.048 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)CCC[NH3+])c1 ZINC000418683883 446647341 /nfs/dbraw/zinc/64/73/41/446647341.db2.gz GNMSXHHIQLBABP-OAHLLOKOSA-N 2 0 336.480 1.896 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418727537 446656040 /nfs/dbraw/zinc/65/60/40/446656040.db2.gz MJODCJVMUGJYMD-AEFFLSMTSA-N 2 0 334.464 1.002 20 0 EDADRP COCC[C@@]1(C(=O)Nc2ccc(N3CC[NH+](C)CC3)cc2)CC[NH2+]C1 ZINC000376696181 446657228 /nfs/dbraw/zinc/65/72/28/446657228.db2.gz UNRXYYNZIFFEMP-IBGZPJMESA-N 2 0 346.475 1.393 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)N1CC[NH+]2CCC1CC2 ZINC000375230590 446658266 /nfs/dbraw/zinc/65/82/66/446658266.db2.gz VHRONQRQHNQVDH-UHFFFAOYSA-N 2 0 343.475 1.536 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)F)CC[N@@H+]1CCOC ZINC000418732763 446659570 /nfs/dbraw/zinc/65/95/70/446659570.db2.gz JYRJAXMFVZSTTC-STQMWFEESA-N 2 0 336.427 1.111 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC(C[NH+]2CCCC2)CC1 ZINC000418749246 446669111 /nfs/dbraw/zinc/66/91/11/446669111.db2.gz MDEQNNUPYUHPSV-CQSZACIVSA-N 2 0 330.423 1.501 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418751843 446671833 /nfs/dbraw/zinc/67/18/33/446671833.db2.gz RZIUOLRBAKZKQX-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418628076 446622099 /nfs/dbraw/zinc/62/20/99/446622099.db2.gz OMPUIVGKZYQCTB-QFBILLFUSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418646186 446630154 /nfs/dbraw/zinc/63/01/54/446630154.db2.gz WSACQPKLJIMQAF-FUHWJXTLSA-N 2 0 346.475 1.019 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418644949 446630520 /nfs/dbraw/zinc/63/05/20/446630520.db2.gz VOBNHTZCRGXJLG-UWWQBHOKSA-N 2 0 328.460 1.752 20 0 EDADRP COCC[C@]1(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000423755443 446685187 /nfs/dbraw/zinc/68/51/87/446685187.db2.gz FELYEZXHVJDPEX-GOSISDBHSA-N 2 0 325.497 1.726 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1C[C@H](C)O ZINC000418766470 446685414 /nfs/dbraw/zinc/68/54/14/446685414.db2.gz KSIQVKSMEOAWBP-ARFHVFGLSA-N 2 0 326.485 1.005 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423757969 446687599 /nfs/dbraw/zinc/68/75/99/446687599.db2.gz NFXSIDFNYCAQII-MOPGFXCFSA-N 2 0 344.503 1.357 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000418779725 446697538 /nfs/dbraw/zinc/69/75/38/446697538.db2.gz BMSUCLMLXUIESW-UONOGXRCSA-N 2 0 333.436 1.049 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418781851 446699927 /nfs/dbraw/zinc/69/99/27/446699927.db2.gz DLCQXOALXSPFPN-KGLIPLIRSA-N 2 0 333.436 1.049 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418788855 446704336 /nfs/dbraw/zinc/70/43/36/446704336.db2.gz LKDQLKAHASZREL-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000376764320 446706806 /nfs/dbraw/zinc/70/68/06/446706806.db2.gz LEIIUXSHVSBWIX-QGZVFWFLSA-N 2 0 333.480 1.535 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)C[C@@H]([NH3+])c3ccccc3)C2)CC1 ZINC000371280647 446739688 /nfs/dbraw/zinc/73/96/88/446739688.db2.gz RJVLTRXWCWQAJW-FUHWJXTLSA-N 2 0 330.476 1.361 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000423827574 446718522 /nfs/dbraw/zinc/71/85/22/446718522.db2.gz AGMOWSRAEOYKDU-WMZOPIPTSA-N 2 0 325.497 1.853 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)C[C@H](C[NH3+])OC)CC[N@@H+]2C2CC2)c1 ZINC000423828054 446718572 /nfs/dbraw/zinc/71/85/72/446718572.db2.gz NVXQVTMSGIYUTP-ZHALLVOQSA-N 2 0 347.459 1.453 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833970 446723069 /nfs/dbraw/zinc/72/30/69/446723069.db2.gz TXWIBUVWWIHMOZ-KZNAEPCWSA-N 2 0 345.443 1.078 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000418820672 446726410 /nfs/dbraw/zinc/72/64/10/446726410.db2.gz PQDGRIYWWCDMRI-BBWFWOEESA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886039 446744148 /nfs/dbraw/zinc/74/41/48/446744148.db2.gz ZOYNIUBHPPXDHZ-KFKAGJAMSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418847819 446749181 /nfs/dbraw/zinc/74/91/81/446749181.db2.gz WITBAOMUTJIGNS-ZFWWWQNUSA-N 2 0 338.496 1.094 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423905140 446756457 /nfs/dbraw/zinc/75/64/57/446756457.db2.gz OXKFWDLWOPVVPQ-CEXWTWQISA-N 2 0 343.471 1.488 20 0 EDADRP COCC[C@]1(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC[NH2+]C1 ZINC000423913037 446763016 /nfs/dbraw/zinc/76/30/16/446763016.db2.gz WOHOFVDCLMPGIH-SZVBFZGTSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H](C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)[NH+]1CCCCCC1 ZINC000424007930 446820476 /nfs/dbraw/zinc/82/04/76/446820476.db2.gz GYWRECQRQQKSGW-NJAFHUGGSA-N 2 0 337.508 1.996 20 0 EDADRP COC(=O)[C@@]1(C)CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000412059850 446820865 /nfs/dbraw/zinc/82/08/65/446820865.db2.gz DCICXYAYWQEWJE-SFHVURJKSA-N 2 0 325.497 1.678 20 0 EDADRP CCOC(C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1)OCC ZINC000368382765 446826135 /nfs/dbraw/zinc/82/61/35/446826135.db2.gz KGCIYDARJYNOMG-UHFFFAOYSA-N 2 0 327.513 1.876 20 0 EDADRP [NH3+]CC1(CC(=O)N2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CCCCC1 ZINC000424043059 446830823 /nfs/dbraw/zinc/83/08/23/446830823.db2.gz XXYGCAJTKBFZKT-CVEARBPZSA-N 2 0 335.492 1.513 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424072224 446840190 /nfs/dbraw/zinc/84/01/90/446840190.db2.gz CWLAAYXFIGQQTR-HNNXBMFYSA-N 2 0 333.480 1.349 20 0 EDADRP C[N@H+](C[C@H](O)c1ccccc1F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371424119 446846213 /nfs/dbraw/zinc/84/62/13/446846213.db2.gz MDHHHXINUGTOLH-LPHOPBHVSA-N 2 0 335.467 1.959 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424137274 446860476 /nfs/dbraw/zinc/86/04/76/446860476.db2.gz BWBACHCNZXXEEW-JKSUJKDBSA-N 2 0 347.507 1.691 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC([NH3+])CC2)cc1 ZINC000419008016 446861725 /nfs/dbraw/zinc/86/17/25/446861725.db2.gz KWVUHNWFIISQNO-UHFFFAOYSA-N 2 0 346.475 1.094 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000419018007 446869609 /nfs/dbraw/zinc/86/96/09/446869609.db2.gz BICLFGVWELMAPM-GJZGRUSLSA-N 2 0 340.512 1.103 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)c1 ZINC000424443739 446871635 /nfs/dbraw/zinc/87/16/35/446871635.db2.gz YDJPSDAHNNNTFZ-UHFFFAOYSA-N 2 0 332.448 1.383 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000419079752 446909899 /nfs/dbraw/zinc/90/98/99/446909899.db2.gz NTJPHLSFEAYTRS-CABCVRRESA-N 2 0 326.485 1.001 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C2CCCCCC2)C1 ZINC000371522470 446912196 /nfs/dbraw/zinc/91/21/96/446912196.db2.gz UILMFECCLFILSP-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC([NH3+])(CC)CC ZINC000419082686 446912672 /nfs/dbraw/zinc/91/26/72/446912672.db2.gz UUYPPIFZSWBSHX-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@](F)(CO)C1 ZINC000368536047 446928176 /nfs/dbraw/zinc/92/81/76/446928176.db2.gz CRONVRWENRRFMT-SZVBFZGTSA-N 2 0 349.450 1.172 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000368574409 446952307 /nfs/dbraw/zinc/95/23/07/446952307.db2.gz BBYISYLETMWAHU-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000413126574 447020450 /nfs/dbraw/zinc/02/04/50/447020450.db2.gz HWQCSSWWBOZWKW-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+] ZINC000419175783 446991317 /nfs/dbraw/zinc/99/13/17/446991317.db2.gz YCDLVJQXPADMIS-JKSUJKDBSA-N 2 0 338.496 1.097 20 0 EDADRP CCOc1ccc(OCCNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443058186 446999387 /nfs/dbraw/zinc/99/93/87/446999387.db2.gz JRNXXXQNQBGKFC-MRXNPFEDSA-N 2 0 349.475 1.641 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C1 ZINC000443060231 447001433 /nfs/dbraw/zinc/00/14/33/447001433.db2.gz OSMKRNIPVUUIAF-AWEZNQCLSA-N 2 0 347.488 1.992 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[N@@H+](CC[C@@H]4CCC[NH+]4C)C[C@@H]3C2)no1 ZINC000372426459 447056297 /nfs/dbraw/zinc/05/62/97/447056297.db2.gz VXDILTBXZTUCNH-XHSDSOJGSA-N 2 0 333.480 1.480 20 0 EDADRP CCOc1ccccc1CN1CCN(C[C@H]2CN(CC)CCO2)CC1 ZINC000375812861 447072467 /nfs/dbraw/zinc/07/24/67/447072467.db2.gz IZNBQWVWUMHRBB-LJQANCHMSA-N 2 0 347.503 1.924 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375802677 447063547 /nfs/dbraw/zinc/06/35/47/447063547.db2.gz VQCDYMUFKJFVSS-RCCFBDPRSA-N 2 0 331.460 1.887 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000377389473 447105807 /nfs/dbraw/zinc/10/58/07/447105807.db2.gz HDECVILDGSPMJR-BPUTZDHNSA-N 2 0 329.448 1.350 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(C(=O)N3CCCCC3)CC2)n1C ZINC000425320989 447113392 /nfs/dbraw/zinc/11/33/92/447113392.db2.gz GRCIALVOBHKQEE-UHFFFAOYSA-N 2 0 333.480 1.711 20 0 EDADRP CCN1CCC[C@@H](C[N@H+](C)CCN2CCCC2=O)[C@@H]1c1cnn(C)c1 ZINC000372536326 447118096 /nfs/dbraw/zinc/11/80/96/447118096.db2.gz CNWSEWOVZDAAND-QFBILLFUSA-N 2 0 347.507 1.747 20 0 EDADRP C[C@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)[NH+]1CCCCCC1 ZINC000372494787 447089609 /nfs/dbraw/zinc/08/96/09/447089609.db2.gz KKBLBMVESCGIOE-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)C1CCCCC1 ZINC000419414179 447160590 /nfs/dbraw/zinc/16/05/90/447160590.db2.gz SWVZTXCRYZBAPI-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000375901685 447133243 /nfs/dbraw/zinc/13/32/43/447133243.db2.gz CRSJVJXOCPEYEL-RTBURBONSA-N 2 0 335.467 1.959 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000375977112 447186568 /nfs/dbraw/zinc/18/65/68/447186568.db2.gz RIMCKEZAFPOZAE-ICSRJNTNSA-N 2 0 343.471 1.259 20 0 EDADRP O=C1NCCN1CC[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377547093 447194449 /nfs/dbraw/zinc/19/44/49/447194449.db2.gz ZKJTWNRVKQAVIG-UHFFFAOYSA-N 2 0 342.487 2.000 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC([NH+]2CCCC2)CC1 ZINC000376069773 447248779 /nfs/dbraw/zinc/24/87/79/447248779.db2.gz OJWMYYUVABCOFT-MRXNPFEDSA-N 2 0 331.464 1.508 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@]12C[C@@H]1CCC2 ZINC000421757506 447240301 /nfs/dbraw/zinc/24/03/01/447240301.db2.gz NTLCNDALSRMSRZ-LPHOPBHVSA-N 2 0 328.460 1.900 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426479327 447453414 /nfs/dbraw/zinc/45/34/14/447453414.db2.gz JDSDHUPCUSFWGQ-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458730441 447466011 /nfs/dbraw/zinc/46/60/11/447466011.db2.gz FVFVLBVLXPPSPA-HOTGVXAUSA-N 2 0 340.512 1.253 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458782238 447477281 /nfs/dbraw/zinc/47/72/81/447477281.db2.gz SCFPPXYXAZLRJQ-HOTGVXAUSA-N 2 0 326.485 1.007 20 0 EDADRP CN(C(=O)CN1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388545780 447478982 /nfs/dbraw/zinc/47/89/82/447478982.db2.gz VDIDPKGLOZHQRM-GOSISDBHSA-N 2 0 330.476 1.015 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415515048 447490613 /nfs/dbraw/zinc/49/06/13/447490613.db2.gz ASPQMARPLANGQG-UHFFFAOYSA-N 2 0 346.475 1.379 20 0 EDADRP [NH3+]C1(CC(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000390984585 447507712 /nfs/dbraw/zinc/50/77/12/447507712.db2.gz JWKUOQDVKWXPNK-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000415492021 447475813 /nfs/dbraw/zinc/47/58/13/447475813.db2.gz SWTDZCMDAXNFOS-MRXNPFEDSA-N 2 0 348.491 1.827 20 0 EDADRP CC(C)[NH+](CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C(C)C ZINC000457413977 447576178 /nfs/dbraw/zinc/57/61/78/447576178.db2.gz BCNVTQHDXGEZPT-MRXNPFEDSA-N 2 0 328.501 1.251 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400341120 447572284 /nfs/dbraw/zinc/57/22/84/447572284.db2.gz GTCNJLSLZQUTCL-ARFHVFGLSA-N 2 0 340.512 1.610 20 0 EDADRP C[C@H]1CN(C(C)(C)CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)C[C@H](C)O1 ZINC000457559741 447597187 /nfs/dbraw/zinc/59/71/87/447597187.db2.gz HZHAWWAUTOAUTK-YHUYYLMFSA-N 2 0 338.496 1.220 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)Cc1ccccc1 ZINC000416826478 447692527 /nfs/dbraw/zinc/69/25/27/447692527.db2.gz BSCMSXUDWSJGSA-OTWHNJEPSA-N 2 0 344.503 1.800 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457997491 447692791 /nfs/dbraw/zinc/69/27/91/447692791.db2.gz ZJFZVUVCRVDROE-MRXNPFEDSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000416885482 447701905 /nfs/dbraw/zinc/70/19/05/447701905.db2.gz LUJGLXXXMQWPKA-HDICACEKSA-N 2 0 330.476 1.889 20 0 EDADRP O[C@@]1(CNC2CC[NH+](C3CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000459419417 447659095 /nfs/dbraw/zinc/65/90/95/447659095.db2.gz AMRBCDCTRDJZEN-HXUWFJFHSA-N 3 0 329.488 1.840 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NC(C)(C)CC[NH3+])CCCC2)CC1 ZINC000422593793 447660337 /nfs/dbraw/zinc/66/03/37/447660337.db2.gz GYFAVKYYTFISLF-UHFFFAOYSA-N 2 0 340.512 1.837 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000457909034 447669231 /nfs/dbraw/zinc/66/92/31/447669231.db2.gz ZAQMAKWUQJIRFL-INIZCTEOSA-N 2 0 340.512 1.395 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC1=CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416950014 447723203 /nfs/dbraw/zinc/72/32/03/447723203.db2.gz HNPTXUSXHFXCFL-KRWDZBQOSA-N 2 0 338.496 1.342 20 0 EDADRP C[C@@H]([NH2+]CCNS(=O)(=O)c1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000422762089 447743146 /nfs/dbraw/zinc/74/31/46/447743146.db2.gz NNXOKGQCVBUKRS-VXGBXAGGSA-N 2 0 331.869 1.206 20 0 EDADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422765227 447744748 /nfs/dbraw/zinc/74/47/48/447744748.db2.gz QQRCDQOJGQJRRM-FGTMMUONSA-N 2 0 334.460 1.993 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792183 447751007 /nfs/dbraw/zinc/75/10/07/447751007.db2.gz QXSAGPJINUDPNU-MSOLQXFVSA-N 2 0 338.540 1.293 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000422825929 447761426 /nfs/dbraw/zinc/76/14/26/447761426.db2.gz QEWJAWMWZSRCLX-DOTOQJQBSA-N 2 0 335.448 1.010 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000471768887 447813410 /nfs/dbraw/zinc/81/34/10/447813410.db2.gz IOYHIMCLPYWQLS-SQNIBIBYSA-N 2 0 331.460 1.174 20 0 EDADRP CCNC(=O)NC(=O)CN1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471843795 447814864 /nfs/dbraw/zinc/81/48/64/447814864.db2.gz IGNUDQWYHWAXMQ-IAGOWNOFSA-N 2 0 346.475 1.504 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000422843042 447766555 /nfs/dbraw/zinc/76/65/55/447766555.db2.gz GUHQENSVZDSCSA-IRXDYDNUSA-N 2 0 345.491 1.227 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C ZINC000422878193 447770348 /nfs/dbraw/zinc/77/03/48/447770348.db2.gz JIRCQWFTZWFALG-KZNAEPCWSA-N 2 0 338.540 1.830 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(N[C@@H](CCC[NH3+])COC)cc2)CC1 ZINC000422923617 447773456 /nfs/dbraw/zinc/77/34/56/447773456.db2.gz SBQWCZCCZALREB-IBGZPJMESA-N 2 0 334.508 1.990 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927332 447774020 /nfs/dbraw/zinc/77/40/20/447774020.db2.gz GBYJBDSHEQEFGS-NJZAAPMLSA-N 2 0 340.851 1.996 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422929601 447774061 /nfs/dbraw/zinc/77/40/61/447774061.db2.gz QQXQAACCEFCQQW-AWEZNQCLSA-N 2 0 327.494 1.934 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422943474 447777785 /nfs/dbraw/zinc/77/77/85/447777785.db2.gz LPMAEQUTEIVNEA-GRDNDAEWSA-N 2 0 339.505 1.976 20 0 EDADRP Cc1ccccc1C[C@@H](C)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430595447 447782523 /nfs/dbraw/zinc/78/25/23/447782523.db2.gz XXDMKEBUBFZVGT-QGZVFWFLSA-N 2 0 347.503 1.872 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@@H](C)[C@@H](OC)C2(C)C)CC[NH2+]CC1 ZINC000423012466 447790863 /nfs/dbraw/zinc/79/08/63/447790863.db2.gz DCHISALPJIUCED-LXTVHRRPSA-N 2 0 326.481 1.957 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471657899 447808626 /nfs/dbraw/zinc/80/86/26/447808626.db2.gz JCYQVNQLAXTHHM-MRXNPFEDSA-N 2 0 328.501 1.232 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000489165389 447852137 /nfs/dbraw/zinc/85/21/37/447852137.db2.gz DZPAFPPBYWQBBE-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000522830394 447857797 /nfs/dbraw/zinc/85/77/97/447857797.db2.gz LYGWJRGWVJACMG-LJQANCHMSA-N 2 0 342.487 1.848 20 0 EDADRP C[C@@H]1CC(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C[C@@H](C)O1 ZINC000549226142 447868361 /nfs/dbraw/zinc/86/83/61/447868361.db2.gz GSNNKEBDDSBOIJ-HZPDHXFCSA-N 2 0 342.528 1.715 20 0 EDADRP CCc1cc(N2CCC([NH2+]C[C@@H](O)CN(C)C3CC3)CC2)ncn1 ZINC000569803148 447893205 /nfs/dbraw/zinc/89/32/05/447893205.db2.gz DSPKLNAGEXKVCH-QGZVFWFLSA-N 2 0 333.480 1.053 20 0 EDADRP CCC(CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1)N1CCOCC1 ZINC000525670397 448008617 /nfs/dbraw/zinc/00/86/17/448008617.db2.gz JZOQIMUWOIAMLN-AEFFLSMTSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H](CC(=O)Nc1cccc(Br)c1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000576090044 447968064 /nfs/dbraw/zinc/96/80/64/447968064.db2.gz IFZSLUDSCJXKHS-GCVYGYKWSA-N 2 0 338.249 1.974 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)C1 ZINC000497276868 448030174 /nfs/dbraw/zinc/03/01/74/448030174.db2.gz OORJOJOZGDEFCD-AEFFLSMTSA-N 2 0 336.480 1.275 20 0 EDADRP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496923298 448040151 /nfs/dbraw/zinc/04/01/51/448040151.db2.gz UMVZNMSZPHPFCM-QBYUYEEZSA-N 2 0 335.448 1.738 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)CCCN2 ZINC000576374212 448041076 /nfs/dbraw/zinc/04/10/76/448041076.db2.gz SFPMHGHLLOPTRC-UHFFFAOYSA-N 2 0 347.507 1.680 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000570851838 448075353 /nfs/dbraw/zinc/07/53/53/448075353.db2.gz NGHAHGLIIHWIPK-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC[C@H](c2nc(C(F)(F)F)cn2C)C1 ZINC000570981559 448090150 /nfs/dbraw/zinc/09/01/50/448090150.db2.gz QWXYVGRHILIBFP-STQMWFEESA-N 2 0 348.413 1.931 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000531482902 448091056 /nfs/dbraw/zinc/09/10/56/448091056.db2.gz QZYPUDWLBNSNIF-OXFYSEKESA-N 2 0 343.471 1.365 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C[N@@H+]1C1CC1 ZINC000531482901 448091159 /nfs/dbraw/zinc/09/11/59/448091159.db2.gz QZYPUDWLBNSNIF-MDYRTPRTSA-N 2 0 343.471 1.365 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C1 ZINC000503765251 448107095 /nfs/dbraw/zinc/10/70/95/448107095.db2.gz NINVCXVFRNEYGP-BZSNNMDCSA-N 2 0 337.508 1.961 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000570784414 448063190 /nfs/dbraw/zinc/06/31/90/448063190.db2.gz DJNXYZZFGKXMSJ-FGTMMUONSA-N 2 0 346.475 1.234 20 0 EDADRP C[N@H+](C[C@H](O)CNC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)C1CC1 ZINC000571315363 448135729 /nfs/dbraw/zinc/13/57/29/448135729.db2.gz GQJBULYAUSAFOA-AVVWSFFYSA-N 2 0 349.441 1.836 20 0 EDADRP CC1(CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH2+]CC1 ZINC000571640990 448185154 /nfs/dbraw/zinc/18/51/54/448185154.db2.gz WLSIFGAVECCMFL-QGZVFWFLSA-N 2 0 330.476 1.800 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000527253810 448195099 /nfs/dbraw/zinc/19/50/99/448195099.db2.gz IPZBGPJWRNBTHC-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000571766181 448203256 /nfs/dbraw/zinc/20/32/56/448203256.db2.gz CZOYVEGWVMBTJO-IBGZPJMESA-N 2 0 348.491 1.528 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000577062845 448203293 /nfs/dbraw/zinc/20/32/93/448203293.db2.gz RXQQEDZPCVDNFK-HUUCEWRRSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000571777534 448205761 /nfs/dbraw/zinc/20/57/61/448205761.db2.gz VTCWLDZVYKZPNB-BPQIPLTHSA-N 2 0 346.475 1.327 20 0 EDADRP CC(C)NC(=O)NCCN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000571914017 448235689 /nfs/dbraw/zinc/23/56/89/448235689.db2.gz YORBBWIINCSEEJ-CALCHBBNSA-N 2 0 339.528 1.184 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)/C=C\c1ccc(O)cc1 ZINC000492618740 448238724 /nfs/dbraw/zinc/23/87/24/448238724.db2.gz ZDFMGHOPEALNLT-TWGQIWQCSA-N 2 0 331.460 1.890 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000577347232 448269548 /nfs/dbraw/zinc/26/95/48/448269548.db2.gz IOYSQUCCZBCTBE-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000515523130 448326227 /nfs/dbraw/zinc/32/62/27/448326227.db2.gz POTCCIDLDXIMJM-QGZVFWFLSA-N 2 0 331.464 1.441 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC(F)(F)CN)C1 ZINC000515870040 448361435 /nfs/dbraw/zinc/36/14/35/448361435.db2.gz JSGGKSJRNKKWQB-OAHLLOKOSA-N 2 0 340.418 1.539 20 0 EDADRP COc1c(N)ncnc1NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000572378433 448363170 /nfs/dbraw/zinc/36/31/70/448363170.db2.gz DRXUEJUOLLJLFZ-OAHLLOKOSA-N 2 0 345.447 2.569 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@@H](C)O1 ZINC000572394510 448367599 /nfs/dbraw/zinc/36/75/99/448367599.db2.gz FKLVIJUHCFVKJK-ZACQAIPSSA-N 2 0 327.513 1.168 20 0 EDADRP Cn1cc(-c2nc(C[NH2+]C3CCN(CC[NH+](C)C)CC3)cs2)cn1 ZINC000527636374 448328330 /nfs/dbraw/zinc/32/83/30/448328330.db2.gz NPILQCBBNDSBEQ-UHFFFAOYSA-N 2 0 348.520 1.659 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC(C)(C)C[NH+]3CCCC3)n2)CC1 ZINC000564708546 448336019 /nfs/dbraw/zinc/33/60/19/448336019.db2.gz FXGOFKIXKTZUJE-UHFFFAOYSA-N 2 0 348.495 2.146 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000515635607 448336229 /nfs/dbraw/zinc/33/62/29/448336229.db2.gz ISVLUNPFQWRFRP-HUUCEWRRSA-N 2 0 334.468 1.053 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000583020241 448404050 /nfs/dbraw/zinc/40/40/50/448404050.db2.gz ZUPNYAWSWFUJCE-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000516273635 448406610 /nfs/dbraw/zinc/40/66/10/448406610.db2.gz JIIMAPIWCICQFQ-YJBOKZPZSA-N 2 0 331.460 1.637 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010983 448439128 /nfs/dbraw/zinc/43/91/28/448439128.db2.gz KMDLTOJUENXBTK-CVEARBPZSA-N 2 0 326.529 1.400 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000578190361 448481856 /nfs/dbraw/zinc/48/18/56/448481856.db2.gz DLSSUTHXWKWZHM-WMZOPIPTSA-N 2 0 345.491 1.612 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1F ZINC000572875429 448488094 /nfs/dbraw/zinc/48/80/94/448488094.db2.gz HSZWCNAMRBLVTQ-MQVJKMGUSA-N 2 0 347.434 1.318 20 0 EDADRP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)CC3 ZINC000584345142 448490271 /nfs/dbraw/zinc/49/02/71/448490271.db2.gz KWYBEZUJEDORKX-AWEZNQCLSA-N 2 0 326.444 1.355 20 0 EDADRP CC[C@@H]([NH3+])C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000578239627 448496194 /nfs/dbraw/zinc/49/61/94/448496194.db2.gz MBHMLNWJCHLWCK-MRXNPFEDSA-N 2 0 332.448 1.102 20 0 EDADRP CCC(=O)Nc1cccc(C[NH2+]C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000516921723 448497048 /nfs/dbraw/zinc/49/70/48/448497048.db2.gz HSLDODMQZAXHQG-RVKKMQEKSA-N 2 0 349.475 1.595 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CCN1CC(=O)N1CCN(c2ccccc2F)CC1 ZINC000572971256 448510625 /nfs/dbraw/zinc/51/06/25/448510625.db2.gz RFAFPZKFOHDPOW-LSDHHAIUSA-N 2 0 334.439 1.286 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000578316043 448513157 /nfs/dbraw/zinc/51/31/57/448513157.db2.gz LIJNAFIYOCACSP-OAHLLOKOSA-N 2 0 347.381 1.381 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(COC)CCC[NH2+]1)Cc1ccccc1 ZINC000649292469 451967051 /nfs/dbraw/zinc/96/70/51/451967051.db2.gz IYTZLDHVLRVCQE-ICSRJNTNSA-N 2 0 347.503 1.824 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(Cc3cnc(N(C)C)n3C)C2)CC1 ZINC000591834115 448501514 /nfs/dbraw/zinc/50/15/14/448501514.db2.gz BHBPKKBZYXQLLS-INIZCTEOSA-N 2 0 334.512 1.086 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](CC(=O)NCc2ccc(F)cc2)C1 ZINC000573091737 448540915 /nfs/dbraw/zinc/54/09/15/448540915.db2.gz TXYFHVIBNIKRBA-INIZCTEOSA-N 2 0 337.439 1.519 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000567096364 448611124 /nfs/dbraw/zinc/61/11/24/448611124.db2.gz WUHFLEDNJGDAGP-MRXNPFEDSA-N 2 0 338.496 1.320 20 0 EDADRP C[C@@H](C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000578585305 448582127 /nfs/dbraw/zinc/58/21/27/448582127.db2.gz NVRIDRKLFAOMJU-KFWWJZLASA-N 2 0 333.480 2.350 20 0 EDADRP CCN1CCN(C(=O)CC2CC[NH+](CC3(O)CCCC3)CC2)CC1 ZINC000566953858 448590573 /nfs/dbraw/zinc/59/05/73/448590573.db2.gz YFJJGGVSRBSEJE-UHFFFAOYSA-N 2 0 337.508 1.558 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000567268558 448655047 /nfs/dbraw/zinc/65/50/47/448655047.db2.gz GPYIEVGLGYWJIT-DLBZAZTESA-N 2 0 330.476 1.798 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1cccc2c1CCCN2 ZINC000567336945 448667502 /nfs/dbraw/zinc/66/75/02/448667502.db2.gz CJUXABDZUWJWPG-UHFFFAOYSA-N 2 0 347.507 1.680 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000578771067 448633941 /nfs/dbraw/zinc/63/39/41/448633941.db2.gz MLSQEQBLUCHTOB-SFHVURJKSA-N 3 0 338.540 1.090 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H](c2ccccc2)c2cncnc2)CC1 ZINC000541749410 448690868 /nfs/dbraw/zinc/69/08/68/448690868.db2.gz NOWBVUQVTPTWRD-IBGZPJMESA-N 2 0 325.460 1.793 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573786437 448711170 /nfs/dbraw/zinc/71/11/70/448711170.db2.gz JIUFIBKKPTUNAJ-GUDVDZBRSA-N 2 0 343.471 1.618 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000567366539 448677904 /nfs/dbraw/zinc/67/79/04/448677904.db2.gz BKUBAIBDMPZSHR-SQNIBIBYSA-N 3 0 332.492 1.135 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000518984737 448728792 /nfs/dbraw/zinc/72/87/92/448728792.db2.gz FPCCIRNHTAEGMA-NVXWUHKLSA-N 2 0 325.497 1.853 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000573902736 448740198 /nfs/dbraw/zinc/74/01/98/448740198.db2.gz DLOUSDSVYWUCII-UXHICEINSA-N 2 0 349.494 1.829 20 0 EDADRP CN(C(=O)CC[N@@H+]1CCc2ccccc2C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000519116238 448743412 /nfs/dbraw/zinc/74/34/12/448743412.db2.gz XYZSABWNLBFVNK-LJQANCHMSA-N 2 0 327.472 1.987 20 0 EDADRP O=C(C1CC[NH+](CCN2CC[NH2+]CC2)CC1)N1CCc2ccccc21 ZINC000579232514 448747998 /nfs/dbraw/zinc/74/79/98/448747998.db2.gz BVXXVUPUPUIIGQ-UHFFFAOYSA-N 2 0 342.487 1.193 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000529288061 448808757 /nfs/dbraw/zinc/80/87/57/448808757.db2.gz RLGVUYSNFADVPT-QGZVFWFLSA-N 2 0 334.464 1.316 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000574170697 448809903 /nfs/dbraw/zinc/80/99/03/448809903.db2.gz RMPGYNZPAWRCLX-GOEBONIOSA-N 2 0 325.522 1.662 20 0 EDADRP COC[C@H](C)OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000574071283 448786034 /nfs/dbraw/zinc/78/60/34/448786034.db2.gz CQYMOSBPRLMIRE-YJBOKZPZSA-N 2 0 328.497 1.786 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CC1 ZINC000546036903 448816981 /nfs/dbraw/zinc/81/69/81/448816981.db2.gz PPAPRJCJXJYOEW-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529340384 448831856 /nfs/dbraw/zinc/83/18/56/448831856.db2.gz MTLWTQYGTRTAQU-IAGOWNOFSA-N 2 0 338.496 1.319 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000529357351 448839075 /nfs/dbraw/zinc/83/90/75/448839075.db2.gz LRAOORVTDBMEHY-MRXNPFEDSA-N 2 0 336.480 1.025 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254773 448847604 /nfs/dbraw/zinc/84/76/04/448847604.db2.gz NHCGMTPLCMBLKN-ZBFHGGJFSA-N 2 0 337.420 1.656 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000529373922 448847681 /nfs/dbraw/zinc/84/76/81/448847681.db2.gz KNURLZAQPRARRN-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC(=O)NC1CCCC1 ZINC000592492560 448862690 /nfs/dbraw/zinc/86/26/90/448862690.db2.gz AKSDZVNKPJZYHZ-GJZGRUSLSA-N 2 0 336.480 1.466 20 0 EDADRP O=C(NCC1CC[NH2+]CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000568372763 448863791 /nfs/dbraw/zinc/86/37/91/448863791.db2.gz NYHFDMJGDUTIHG-UHFFFAOYSA-N 2 0 338.496 1.130 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC000592554163 448896599 /nfs/dbraw/zinc/89/65/99/448896599.db2.gz FLJHYFJIBQKOPQ-HRCADAONSA-N 2 0 345.491 1.571 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)c2conc2C(C)(C)[NH3+])C1 ZINC000579972225 448925318 /nfs/dbraw/zinc/92/53/18/448925318.db2.gz RCAWQHGMAKJYRO-CYBMUJFWSA-N 2 0 338.452 1.441 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000529722132 448936352 /nfs/dbraw/zinc/93/63/52/448936352.db2.gz HKTZZPBDVZKASF-SFHVURJKSA-N 2 0 336.524 1.537 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCCCC[NH2+]2)cc1 ZINC000574759975 448951513 /nfs/dbraw/zinc/95/15/13/448951513.db2.gz UGXQZUPKBLYXNU-SFHVURJKSA-N 2 0 333.476 1.818 20 0 EDADRP O=C(COC1CC[NH2+]CC1)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000582124604 449018423 /nfs/dbraw/zinc/01/84/23/449018423.db2.gz LKRQUQLVEDGWJX-UHFFFAOYSA-N 2 0 347.459 1.350 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCC2([NH3+])CCCCCC2)C1 ZINC000569440194 449024857 /nfs/dbraw/zinc/02/48/57/449024857.db2.gz RNEGJZPZRSMSPV-MRXNPFEDSA-N 2 0 340.512 1.694 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@]3(O)CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000569449479 449027328 /nfs/dbraw/zinc/02/73/28/449027328.db2.gz DXDBLNQOXVSDNP-NSHGMRRFSA-N 2 0 343.471 1.176 20 0 EDADRP O=C(NCc1ccccc1-n1ccnc1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000522305335 449076004 /nfs/dbraw/zinc/07/60/04/449076004.db2.gz GCELKRXOFQNMCS-OAHLLOKOSA-N 2 0 325.416 1.908 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC(C[NH+]4CCCC4)CC3)c21 ZINC000592956234 449076953 /nfs/dbraw/zinc/07/69/53/449076953.db2.gz DZWNVFBNCCQFOD-INIZCTEOSA-N 2 0 345.491 1.667 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)CC1 ZINC000592957917 449079716 /nfs/dbraw/zinc/07/97/16/449079716.db2.gz ROHCFOBLQZPLQZ-HNNXBMFYSA-N 2 0 347.507 1.913 20 0 EDADRP CC(C)([NH2+]CCC(=O)N1CC[NH2+]CC1)c1nc2ccccc2s1 ZINC000530223104 449086843 /nfs/dbraw/zinc/08/68/43/449086843.db2.gz MWPWANQJQSTYHH-UHFFFAOYSA-N 2 0 332.473 1.943 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2cccc(-c3ccccn3)c2)CC1 ZINC000575377524 449087268 /nfs/dbraw/zinc/08/72/68/449087268.db2.gz UXFZKZBTBIWZTK-LJQANCHMSA-N 2 0 340.471 1.447 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592964518 449087931 /nfs/dbraw/zinc/08/79/31/449087931.db2.gz LQBDQOSYTBALCD-CABCVRRESA-N 2 0 333.480 1.523 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CCN(Cc2cnc3ccccc3c2)CC1 ZINC000530225934 449088077 /nfs/dbraw/zinc/08/80/77/449088077.db2.gz YOHDQKRWOBHJDX-UHFFFAOYSA-N 2 0 339.443 1.378 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C(C)(C)C ZINC000592965396 449089343 /nfs/dbraw/zinc/08/93/43/449089343.db2.gz QOXGMLGEPOCVPJ-DZGCQCFKSA-N 2 0 335.496 1.815 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)nc1 ZINC000593731243 449165128 /nfs/dbraw/zinc/16/51/28/449165128.db2.gz VACYODIHZCSAPU-OIISXLGYSA-N 2 0 333.432 1.729 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)n1 ZINC000600132965 449207519 /nfs/dbraw/zinc/20/75/19/449207519.db2.gz PSXJSJMZZGYDNT-INIZCTEOSA-N 2 0 346.475 1.516 20 0 EDADRP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)CCC2 ZINC000594494492 449556850 /nfs/dbraw/zinc/55/68/50/449556850.db2.gz BYJJREHNXFNZMB-KRWDZBQOSA-N 2 0 332.444 1.897 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602481149 449624241 /nfs/dbraw/zinc/62/42/41/449624241.db2.gz FNYHWVMZMPSXDU-QGZVFWFLSA-N 2 0 345.535 1.899 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)Nc2ccccc2C(=O)N2CCC[NH+](C)CC2)C1 ZINC000602533532 449656548 /nfs/dbraw/zinc/65/65/48/449656548.db2.gz VFMRPIHUONWABS-OAHLLOKOSA-N 2 0 344.459 1.355 20 0 EDADRP COC(=O)c1csc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000602551153 449669040 /nfs/dbraw/zinc/66/90/40/449669040.db2.gz NOLZGGSCJNKPOO-AWEZNQCLSA-N 2 0 326.462 1.861 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000607686985 449634938 /nfs/dbraw/zinc/63/49/38/449634938.db2.gz NUBXZAIBDSYHGK-ZWKOTPCHSA-N 2 0 330.476 1.846 20 0 EDADRP COC(=O)[C@](C)(C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000602629512 449717562 /nfs/dbraw/zinc/71/75/62/449717562.db2.gz KPKKKRMPROCFAA-HXUWFJFHSA-N 2 0 348.487 1.942 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC2CC[NH+](CCO)CC2)c1 ZINC000601252826 449774978 /nfs/dbraw/zinc/77/49/78/449774978.db2.gz BGQLGBCDKHIXON-UHFFFAOYSA-N 2 0 334.464 1.004 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000594926773 449810790 /nfs/dbraw/zinc/81/07/90/449810790.db2.gz YDTYITNRYXMRKZ-NZSAHSFTSA-N 2 0 345.487 1.591 20 0 EDADRP C[C@@H](C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000608351672 449814373 /nfs/dbraw/zinc/81/43/73/449814373.db2.gz MUBYDPPSAXFIFL-ROUUACIJSA-N 2 0 337.508 1.964 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000594944730 449816468 /nfs/dbraw/zinc/81/64/68/449816468.db2.gz VNJBESSTJZEFSG-WQANXHIZSA-N 2 0 346.471 1.931 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000595033430 449845930 /nfs/dbraw/zinc/84/59/30/449845930.db2.gz QILDWUSHFGXVAN-HOTGVXAUSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2CC[NH+](CCO)CC2)C1 ZINC000601275031 449792727 /nfs/dbraw/zinc/79/27/27/449792727.db2.gz DPTJNWXMXNJRJI-OAHLLOKOSA-N 2 0 340.512 1.253 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCCC[N@@H+]3C)cn2)CC1 ZINC000599312976 449883828 /nfs/dbraw/zinc/88/38/28/449883828.db2.gz WMOCGMFXIJGKRP-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NC(=O)NCc3ccccc3)C2)CC1 ZINC000602877830 449885421 /nfs/dbraw/zinc/88/54/21/449885421.db2.gz RVDBJZQXZBCODJ-UHFFFAOYSA-N 2 0 344.459 1.430 20 0 EDADRP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612897983 449932913 /nfs/dbraw/zinc/93/29/13/449932913.db2.gz AFXJQRQBUUNIBW-WDYCEAGBSA-N 2 0 330.476 1.948 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000612861665 449913742 /nfs/dbraw/zinc/91/37/42/449913742.db2.gz AAVVIYDPCFTRCR-IEBWSBKVSA-N 2 0 346.475 1.883 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612863357 449915120 /nfs/dbraw/zinc/91/51/20/449915120.db2.gz DLMRZLYXWIQMSN-IBGZPJMESA-N 2 0 348.491 1.958 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617976325 449959118 /nfs/dbraw/zinc/95/91/18/449959118.db2.gz WEYXMYGBDFISPZ-SFHVURJKSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)c1ccc(F)cc1 ZINC000612966915 449961974 /nfs/dbraw/zinc/96/19/74/449961974.db2.gz VJLYCMAHPXYPSK-HZPDHXFCSA-N 2 0 334.439 1.870 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000615300513 450052922 /nfs/dbraw/zinc/05/29/22/450052922.db2.gz FKYUSQPWNWJMFG-KBMXLJTQSA-N 2 0 325.522 1.755 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000601567346 450077706 /nfs/dbraw/zinc/07/77/06/450077706.db2.gz KLOUOFCZHFVDST-HRCADAONSA-N 2 0 346.431 1.070 20 0 EDADRP c1ccc2c(c1)OC[C@@H](C[NH+]1CCC(C[NH+]3CCOCC3)CC1)O2 ZINC000613440804 450181099 /nfs/dbraw/zinc/18/10/99/450181099.db2.gz NVXGQOKKLZPXQW-QGZVFWFLSA-N 2 0 332.444 1.871 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000625368321 450316536 /nfs/dbraw/zinc/31/65/36/450316536.db2.gz MJAQKTCEJRFCSO-INIZCTEOSA-N 2 0 331.526 1.655 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381897 450323414 /nfs/dbraw/zinc/32/34/14/450323414.db2.gz UXBCMAUOYNDQGQ-QRVBRYPASA-N 2 0 327.472 1.932 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@H]1CCCC[N@H+](C)C1)N1CCOCC1 ZINC000623403771 450515046 /nfs/dbraw/zinc/51/50/46/450515046.db2.gz GZXHVKJRGKQZDB-SJORKVTESA-N 2 0 340.512 1.374 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1NC(=O)[C@@H](CC)[NH+](C)C)[NH+](C)C ZINC000616782380 450483472 /nfs/dbraw/zinc/48/34/72/450483472.db2.gz DEKJEZUWPCLMGN-CAOSSQGBSA-N 2 0 340.512 1.210 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1)[NH+]1CCCCC1 ZINC000620486686 450503581 /nfs/dbraw/zinc/50/35/81/450503581.db2.gz LLQUFJWMJDMVMM-QZTJIDSGSA-N 2 0 337.508 1.555 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623397759 450513308 /nfs/dbraw/zinc/51/33/08/450513308.db2.gz OHGODKAEUOCZMN-SFHVURJKSA-N 2 0 346.519 1.940 20 0 EDADRP CCOCC[N@H+](CC(=O)N1CCN(C)CC1)[C@H]1CCc2ccccc21 ZINC000625976663 450546915 /nfs/dbraw/zinc/54/69/15/450546915.db2.gz KSGGOHNHWLQDDS-IBGZPJMESA-N 2 0 345.487 1.786 20 0 EDADRP CC[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000620903018 450558066 /nfs/dbraw/zinc/55/80/66/450558066.db2.gz FHHQRDGLNBGHIS-QFBILLFUSA-N 2 0 344.503 1.647 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CCO1 ZINC000620976012 450568209 /nfs/dbraw/zinc/56/82/09/450568209.db2.gz FFRLCIOHOVFJTC-KRWDZBQOSA-N 2 0 334.464 1.326 20 0 EDADRP C[C@@H]([NH2+][C@H](CO)c1ccnn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000624017797 450671322 /nfs/dbraw/zinc/67/13/22/450671322.db2.gz FJNYEQVBKQGPCJ-RHSMWYFYSA-N 2 0 332.448 1.745 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629522116 450725256 /nfs/dbraw/zinc/72/52/56/450725256.db2.gz VJNGZRSBXAHZIX-ZDUSSCGKSA-N 2 0 341.477 1.607 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC[C@@H](O)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000629561070 450736295 /nfs/dbraw/zinc/73/62/95/450736295.db2.gz ZARLGUGYZPOARH-WOJBJXKFSA-N 2 0 346.519 1.021 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@@H](C)[N@H+](C)CCOCC[NH3+])cc1F ZINC000629579734 450747018 /nfs/dbraw/zinc/74/70/18/450747018.db2.gz QHCTYTTZAPKNEA-CYBMUJFWSA-N 2 0 341.427 1.088 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC[C@@H](O)C[NH+]3CCCC3)cc2)CC1 ZINC000629581304 450748126 /nfs/dbraw/zinc/74/81/26/450748126.db2.gz VOJDSPGHKJBZJU-GOSISDBHSA-N 2 0 347.503 1.706 20 0 EDADRP CN(C(=O)CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000621669287 450824401 /nfs/dbraw/zinc/82/44/01/450824401.db2.gz IXSOXJODJDCCGJ-AEFFLSMTSA-N 2 0 336.524 1.393 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000621625059 450800089 /nfs/dbraw/zinc/80/00/89/450800089.db2.gz IGZZKTQTKKJOTR-KRWDZBQOSA-N 2 0 337.508 1.918 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@H](C[NH3+])Cc3ccccc32)CC1 ZINC000631893087 450853118 /nfs/dbraw/zinc/85/31/18/450853118.db2.gz GVIADSWITWDFPK-INIZCTEOSA-N 2 0 344.503 1.613 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1)c1ccccc1 ZINC000621783773 450867213 /nfs/dbraw/zinc/86/72/13/450867213.db2.gz GDKNAJHDJLKQEL-YQVWRLOYSA-N 2 0 330.476 1.219 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000633486081 450876402 /nfs/dbraw/zinc/87/64/02/450876402.db2.gz LUWNZWGFSLSMPE-UHFFFAOYSA-N 2 0 349.504 1.338 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1 ZINC000629953006 450912140 /nfs/dbraw/zinc/91/21/40/450912140.db2.gz LFNZXEPRWHNAEU-UHFFFAOYSA-N 2 0 332.448 2.000 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000629979005 450930451 /nfs/dbraw/zinc/93/04/51/450930451.db2.gz NCCBWMABIJQJML-PKOBYXMFSA-N 2 0 345.487 1.470 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1ccccc1=O ZINC000624650394 450940543 /nfs/dbraw/zinc/94/05/43/450940543.db2.gz XTRPJTWFDPYPBH-KRWDZBQOSA-N 2 0 348.491 1.113 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1)[NH+](C)C ZINC000635467236 450966590 /nfs/dbraw/zinc/96/65/90/450966590.db2.gz KHCRPIJPWUNFMD-UKRRQHHQSA-N 2 0 332.448 1.273 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635467131 450966660 /nfs/dbraw/zinc/96/66/60/450966660.db2.gz YKEVJDURGPIWCQ-ARFHVFGLSA-N 2 0 333.480 1.388 20 0 EDADRP C[NH+]1C[C@H](C(=O)N2CCC[C@H]3C[N@@H+](C)C[C@H]32)[C@@H](c2ccccc2)C1 ZINC000627836501 450969557 /nfs/dbraw/zinc/96/95/57/450969557.db2.gz VZHLXTDOXDKFIM-ZSYWTGECSA-N 2 0 327.472 1.884 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000626890763 450987823 /nfs/dbraw/zinc/98/78/23/450987823.db2.gz SCIBVWIUCMVGEH-DZGCQCFKSA-N 2 0 332.448 1.252 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1cccs1 ZINC000626921225 451005123 /nfs/dbraw/zinc/00/51/23/451005123.db2.gz UZNRYRKXTATOCI-GFCCVEGCSA-N 2 0 326.466 1.158 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)CC(C)C ZINC000626930035 451012224 /nfs/dbraw/zinc/01/22/24/451012224.db2.gz VWKSCQQGAIWXPO-HNNXBMFYSA-N 2 0 328.501 1.550 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000635527941 451024660 /nfs/dbraw/zinc/02/46/60/451024660.db2.gz NMHCUASOJQFYLQ-LESCRADOSA-N 2 0 346.475 1.963 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000626953547 451031478 /nfs/dbraw/zinc/03/14/78/451031478.db2.gz VKQGXWROJARYOG-FHLIZLRMSA-N 2 0 330.476 1.873 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559148 451058428 /nfs/dbraw/zinc/05/84/28/451058428.db2.gz FREMAFUVQCDVCN-FUHWJXTLSA-N 2 0 336.524 1.393 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)[C@H](C)C1 ZINC000635571772 451070156 /nfs/dbraw/zinc/07/01/56/451070156.db2.gz CMUOVZWMKCSDAJ-IKGGRYGDSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627016619 451081978 /nfs/dbraw/zinc/08/19/78/451081978.db2.gz OJCLSXLAUCUZAI-QZTJIDSGSA-N 2 0 346.475 1.185 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccco1 ZINC000627034431 451092963 /nfs/dbraw/zinc/09/29/63/451092963.db2.gz GOVWGIHYDHXFMI-KGLIPLIRSA-N 2 0 338.452 1.516 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626980598 451049799 /nfs/dbraw/zinc/04/97/99/451049799.db2.gz UYIACJCQFAZJOC-MRXNPFEDSA-N 2 0 348.491 1.877 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000627069655 451110155 /nfs/dbraw/zinc/11/01/55/451110155.db2.gz QIRZKEXMLOLPGH-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000627127052 451139828 /nfs/dbraw/zinc/13/98/28/451139828.db2.gz ROEKVDNASJMLGT-CVEARBPZSA-N 2 0 336.480 1.071 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)CC[N@@H+]1CCOC ZINC000627202069 451184750 /nfs/dbraw/zinc/18/47/50/451184750.db2.gz NDWKLFLXAANCTF-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000627217285 451193043 /nfs/dbraw/zinc/19/30/43/451193043.db2.gz LJUDBISIAIZQTI-HDICACEKSA-N 2 0 346.475 1.125 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635721296 451197919 /nfs/dbraw/zinc/19/79/19/451197919.db2.gz JPECRYWZDDAQFS-BDXSIMOUSA-N 2 0 335.492 1.713 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1 ZINC000638084190 451247329 /nfs/dbraw/zinc/24/73/29/451247329.db2.gz DEPCGJNEGWVYCY-YJBOKZPZSA-N 2 0 333.476 1.802 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@]3(C)C[NH2+]CCO3)c2)CC1 ZINC000638086168 451252529 /nfs/dbraw/zinc/25/25/29/451252529.db2.gz PNUFHYCOFMFMOD-FQEVSTJZSA-N 2 0 345.487 1.913 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000630576451 451257141 /nfs/dbraw/zinc/25/71/41/451257141.db2.gz HRDHCMPAQGPQED-SFHVURJKSA-N 2 0 343.475 1.347 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000640340660 451272335 /nfs/dbraw/zinc/27/23/35/451272335.db2.gz HDEHDKQEKJLWMD-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)[C@]2(C[NH3+])CCCOC2)c1 ZINC000638113970 451282168 /nfs/dbraw/zinc/28/21/68/451282168.db2.gz RZOUYGZNOWMIRE-SFHVURJKSA-N 2 0 335.448 1.711 20 0 EDADRP CC[N@@H+]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000632449526 451297198 /nfs/dbraw/zinc/29/71/98/451297198.db2.gz FPPUDEYOGGURNA-HNNXBMFYSA-N 2 0 339.505 1.853 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137141 451310166 /nfs/dbraw/zinc/31/01/66/451310166.db2.gz GHOMYWUOMADRAU-INIZCTEOSA-N 2 0 344.503 1.017 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)C[NH+](C)CC(C)(C)C ZINC000635865602 451312207 /nfs/dbraw/zinc/31/22/07/451312207.db2.gz XTDXFTVEVDOZJA-HNNXBMFYSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CCC2C[NH2+]C2)c2ccccc2)CC1 ZINC000638137814 451313704 /nfs/dbraw/zinc/31/37/04/451313704.db2.gz ONIXUPGNEQBHKB-SFHVURJKSA-N 2 0 330.476 1.091 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C2CC2)CCO1 ZINC000638170127 451334418 /nfs/dbraw/zinc/33/44/18/451334418.db2.gz DHOZYGDVOVSDKK-GBESFXJTSA-N 2 0 343.471 1.331 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(CCC[NH3+])CC2CCCC2)c1 ZINC000638236006 451373020 /nfs/dbraw/zinc/37/30/20/451373020.db2.gz YHWFOQLXKAQYJZ-GOSISDBHSA-N 2 0 333.476 1.933 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635974441 451410927 /nfs/dbraw/zinc/41/09/27/451410927.db2.gz BARJQSAEOYCZET-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@]3(C)C[NH2+]CCO3)c2)CC1 ZINC000638302924 451416912 /nfs/dbraw/zinc/41/69/12/451416912.db2.gz LPZHAGPUQZICIR-IBGZPJMESA-N 2 0 346.475 1.534 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccccc2OCCCCO)CC1 ZINC000638349503 451451760 /nfs/dbraw/zinc/45/17/60/451451760.db2.gz NYSRSXDHWHXQJY-UHFFFAOYSA-N 2 0 349.519 1.954 20 0 EDADRP CO[C@]1(C[NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CCOC1 ZINC000638355638 451457971 /nfs/dbraw/zinc/45/79/71/451457971.db2.gz OZWNQSVIBFQZJG-UXHICEINSA-N 2 0 347.503 1.760 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636045780 451462560 /nfs/dbraw/zinc/46/25/60/451462560.db2.gz YMVXSWPAZFRRSR-AWEZNQCLSA-N 2 0 335.448 1.916 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638369121 451467107 /nfs/dbraw/zinc/46/71/07/451467107.db2.gz DFJYQCOOCAJNGO-HZPDHXFCSA-N 2 0 332.492 1.612 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cn1 ZINC000638410450 451496886 /nfs/dbraw/zinc/49/68/86/451496886.db2.gz BRQVWCABCMYHNA-QZTJIDSGSA-N 2 0 341.459 1.320 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@H](O)Cn1cccn1 ZINC000634724394 451505480 /nfs/dbraw/zinc/50/54/80/451505480.db2.gz PBOYQATWQRYCLS-QRQLOZEOSA-N 2 0 328.460 1.602 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000638489831 451541923 /nfs/dbraw/zinc/54/19/23/451541923.db2.gz OMAWQQDUXSHYMK-LJQANCHMSA-N 2 0 344.503 1.504 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000638513480 451552727 /nfs/dbraw/zinc/55/27/27/451552727.db2.gz MKMCOAZPZBBION-GBESFXJTSA-N 2 0 345.487 1.719 20 0 EDADRP CCN(C(=O)[C@@H]1CCN1Cc1ccc(OC)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000636159587 451554020 /nfs/dbraw/zinc/55/40/20/451554020.db2.gz CZZXECIGECRBSS-AEFFLSMTSA-N 2 0 331.460 1.822 20 0 EDADRP COc1ccccc1N1CCC([NH2+][C@H](C)CN2CC[NH+](C)CC2)CC1 ZINC000631067237 451565124 /nfs/dbraw/zinc/56/51/24/451565124.db2.gz IVZSUXNFAGXXKG-QGZVFWFLSA-N 2 0 346.519 1.890 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CCCC[NH2+]1 ZINC000638560143 451577096 /nfs/dbraw/zinc/57/70/96/451577096.db2.gz CZZRXNOCZAACGO-BZPMIXESSA-N 2 0 337.386 1.131 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000638601800 451599391 /nfs/dbraw/zinc/59/93/91/451599391.db2.gz HSSPOTSYPHGTLB-UHFFFAOYSA-N 2 0 329.444 1.617 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000638603431 451601546 /nfs/dbraw/zinc/60/15/46/451601546.db2.gz SXEBLUADGZRMAH-UHFFFAOYSA-N 2 0 337.508 1.999 20 0 EDADRP C[C@H](CNC(=O)N(C)Cc1ncc[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000632843737 451610141 /nfs/dbraw/zinc/61/01/41/451610141.db2.gz CMXWOGRVAVBRDE-CQSZACIVSA-N 2 0 327.432 1.998 20 0 EDADRP CCC[C@@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836163 451621801 /nfs/dbraw/zinc/62/18/01/451621801.db2.gz BSTYGCJDUNTWQT-NVXWUHKLSA-N 2 0 344.463 1.497 20 0 EDADRP [NH3+]CC1(NC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638634338 451622812 /nfs/dbraw/zinc/62/28/12/451622812.db2.gz ORZBNWSRBOGDDU-INIZCTEOSA-N 2 0 349.450 1.662 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)NC3(C[NH3+])CCOCC3)ccc21 ZINC000638637641 451624702 /nfs/dbraw/zinc/62/47/02/451624702.db2.gz ULAHKNJOSHIWOH-UHFFFAOYSA-N 2 0 330.432 1.228 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000638637122 451624779 /nfs/dbraw/zinc/62/47/79/451624779.db2.gz NITLVKCPOJTMMP-GOEBONIOSA-N 2 0 325.497 1.458 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCCS(=O)(=O)CC2)ccn1 ZINC000634973955 451633428 /nfs/dbraw/zinc/63/34/28/451633428.db2.gz OVSMNHUPCLFIPR-OAHLLOKOSA-N 2 0 341.477 1.079 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000632895976 451637707 /nfs/dbraw/zinc/63/77/07/451637707.db2.gz ZLEUTVQUEMBHRA-GJZGRUSLSA-N 2 0 332.448 1.985 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[NH2+]CC(C)(C)C3)n2)CC1 ZINC000632940864 451661424 /nfs/dbraw/zinc/66/14/24/451661424.db2.gz RIQCHTINPTTYBU-AWEZNQCLSA-N 2 0 348.495 2.050 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)C1CCOCC1 ZINC000638747099 451673762 /nfs/dbraw/zinc/67/37/62/451673762.db2.gz AIIUTYGBBDZMSA-CEXWTWQISA-N 2 0 340.508 1.786 20 0 EDADRP C[C@H](C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000638780546 451688880 /nfs/dbraw/zinc/68/88/80/451688880.db2.gz SGEXHNRFEGGXAV-SNRMKQJTSA-N 2 0 345.487 1.940 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)C1 ZINC000638814569 451699023 /nfs/dbraw/zinc/69/90/23/451699023.db2.gz DWGUUZFJVRHGTK-MNOVXSKESA-N 2 0 342.394 1.094 20 0 EDADRP CC1(C)[C@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860814 451713472 /nfs/dbraw/zinc/71/34/72/451713472.db2.gz GZNRMBHPAWIXCD-GQIGUUNPSA-N 2 0 349.519 1.996 20 0 EDADRP COc1ccc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2NC(=O)C[NH3+])cc1 ZINC000638861881 451713833 /nfs/dbraw/zinc/71/38/33/451713833.db2.gz BDMNKBUXJJOVQD-RBUKOAKNSA-N 2 0 339.439 1.738 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]CC1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000641044526 451740230 /nfs/dbraw/zinc/74/02/30/451740230.db2.gz XMPQYROZCRMQFC-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@@H]3Cc4ccccc4C[NH2+]3)cn2)CC1 ZINC000638977836 451744655 /nfs/dbraw/zinc/74/46/55/451744655.db2.gz QIBHURDXGYPGMH-SFHVURJKSA-N 2 0 339.443 1.803 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000641076285 451745886 /nfs/dbraw/zinc/74/58/86/451745886.db2.gz RIQCOGCNSQHZIZ-NJAFHUGGSA-N 2 0 348.466 1.960 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000638985170 451746893 /nfs/dbraw/zinc/74/68/93/451746893.db2.gz BCRFSHCNWLAIAU-QGZVFWFLSA-N 3 0 337.427 1.317 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000638987492 451747715 /nfs/dbraw/zinc/74/77/15/451747715.db2.gz ROADNQPSGHOXOT-IMJJTQAJSA-N 2 0 329.448 1.350 20 0 EDADRP C[C@@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988451 451747905 /nfs/dbraw/zinc/74/79/05/451747905.db2.gz YQZPUANTNPVPEZ-GDBMZVCRSA-N 2 0 348.447 1.404 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639023106 451753407 /nfs/dbraw/zinc/75/34/07/451753407.db2.gz RSLPLQYTLHLZOB-SQNIBIBYSA-N 2 0 330.476 1.046 20 0 EDADRP C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000646720416 451807863 /nfs/dbraw/zinc/80/78/63/451807863.db2.gz RRGHSOIITDZMOJ-GOSISDBHSA-N 2 0 330.476 1.752 20 0 EDADRP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639316519 451823369 /nfs/dbraw/zinc/82/33/69/451823369.db2.gz JNIGXCOWJYILNF-WMZOPIPTSA-N 2 0 334.508 1.956 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000646795496 451845460 /nfs/dbraw/zinc/84/54/60/451845460.db2.gz MWTCPQRRXNIPBT-SFHVURJKSA-N 2 0 333.476 1.560 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)nc2)CC1 ZINC000653346153 451857521 /nfs/dbraw/zinc/85/75/21/451857521.db2.gz KROJEMJBDPZFFR-JKSUJKDBSA-N 2 0 329.448 1.303 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000653349521 451860347 /nfs/dbraw/zinc/86/03/47/451860347.db2.gz RPTKLRPJTVJSAT-SFHVURJKSA-N 2 0 333.476 1.815 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C(F)(F)F ZINC000644564271 451864037 /nfs/dbraw/zinc/86/40/37/451864037.db2.gz IZRXZIKFNIRARH-OAHLLOKOSA-N 2 0 332.366 1.656 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000644563009 451865065 /nfs/dbraw/zinc/86/50/65/451865065.db2.gz MNGKGOCMBDOPMV-IEBWSBKVSA-N 2 0 349.519 1.516 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000644562858 451865089 /nfs/dbraw/zinc/86/50/89/451865089.db2.gz DXXYCWQVSXQIOQ-KDOFPFPSSA-N 2 0 334.460 1.949 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000642645154 451904905 /nfs/dbraw/zinc/90/49/05/451904905.db2.gz SPPAXQVCZZDETF-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000637505558 451912803 /nfs/dbraw/zinc/91/28/03/451912803.db2.gz CDBYEFIAWVGING-IAGOWNOFSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000649278591 451949301 /nfs/dbraw/zinc/94/93/01/451949301.db2.gz OSWYNLNMAZHQRE-KGLIPLIRSA-N 2 0 329.366 1.789 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]CCC(=O)Nc2ccccc2F)CC1 ZINC000644677833 451935141 /nfs/dbraw/zinc/93/51/41/451935141.db2.gz IJGNASFSEYIQRS-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000642732711 451942625 /nfs/dbraw/zinc/94/26/25/451942625.db2.gz VFBPMQSYOOWMDG-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@@]1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCC(=O)N1 ZINC000651597669 451948083 /nfs/dbraw/zinc/94/80/83/451948083.db2.gz CFWXOLDDZZYTTI-IBGZPJMESA-N 2 0 331.460 1.920 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000642753711 451951960 /nfs/dbraw/zinc/95/19/60/451951960.db2.gz XYWADRCWCHXZLX-NUWOQIAWSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)[NH+]1CCC(C)CC1 ZINC000649292416 451967294 /nfs/dbraw/zinc/96/72/94/451967294.db2.gz FRLKHANRDABYBK-DOTOQJQBSA-N 2 0 348.495 1.299 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1)C1CCCCC1 ZINC000649292951 451968445 /nfs/dbraw/zinc/96/84/45/451968445.db2.gz OJKATKWNYHVFDW-ZBFHGGJFSA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000649295998 451971109 /nfs/dbraw/zinc/97/11/09/451971109.db2.gz PUCNTUJOINWJAB-YJBOKZPZSA-N 2 0 331.460 1.957 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCSC1 ZINC000649296402 451973729 /nfs/dbraw/zinc/97/37/29/451973729.db2.gz ALNVBULUYQYMRY-GOSISDBHSA-N 2 0 347.528 1.861 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@H]1C[NH2+]CCOC1 ZINC000649304244 451979590 /nfs/dbraw/zinc/97/95/90/451979590.db2.gz SXIXCLCTSDIYLZ-KRWDZBQOSA-N 2 0 331.460 1.890 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(N)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649321642 451999451 /nfs/dbraw/zinc/99/94/51/451999451.db2.gz JOTPKKOFMKJNLF-SZVBFZGTSA-N 2 0 330.476 1.189 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000649321319 451999830 /nfs/dbraw/zinc/99/98/30/451999830.db2.gz TZAKVHRFSOBZRP-QZTJIDSGSA-N 2 0 331.460 1.120 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H](C)O1 ZINC000637658505 452001325 /nfs/dbraw/zinc/00/13/25/452001325.db2.gz XYWINPSBHBUECU-PMPSAXMXSA-N 2 0 328.501 1.467 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639686905 452022410 /nfs/dbraw/zinc/02/24/10/452022410.db2.gz PJHSOYIUSLSIEU-KRWDZBQOSA-N 2 0 332.496 1.257 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649344690 452025135 /nfs/dbraw/zinc/02/51/35/452025135.db2.gz MHKODXOOICRWSO-CYBMUJFWSA-N 2 0 339.402 1.345 20 0 EDADRP COc1cc(OC)c(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc1F ZINC000651706943 452025895 /nfs/dbraw/zinc/02/58/95/452025895.db2.gz SHNMRNVDQLLLEO-ZDUSSCGKSA-N 2 0 325.428 1.568 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000649346469 452028850 /nfs/dbraw/zinc/02/88/50/452028850.db2.gz JMRIGGNNBMSCFE-NVXWUHKLSA-N 2 0 339.867 1.828 20 0 EDADRP Cn1ccnc1[C@@H]1CC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000653590935 452029875 /nfs/dbraw/zinc/02/98/75/452029875.db2.gz HHANFJBPDLYJGR-CYBMUJFWSA-N 2 0 342.399 1.967 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649351057 452033498 /nfs/dbraw/zinc/03/34/98/452033498.db2.gz HQLGOTDEUZFTQJ-INIZCTEOSA-N 2 0 338.883 1.484 20 0 EDADRP CN1CCC(CNC(=O)C2CCC([NH3+])CC2)([NH+]2CCCCC2)CC1 ZINC000649352645 452037725 /nfs/dbraw/zinc/03/77/25/452037725.db2.gz BVOGYONTQOWATJ-UHFFFAOYSA-N 2 0 336.524 1.570 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083854 452050667 /nfs/dbraw/zinc/05/06/67/452050667.db2.gz YYBPBJJKTCXAEW-KBPBESRZSA-N 2 0 344.381 1.690 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2C[NH2+]CCOC2)CC1 ZINC000649378551 452052518 /nfs/dbraw/zinc/05/25/18/452052518.db2.gz IVDZSPTXAQEDSU-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C)n(-c2ccc(C[N@H+](C)CCN3CC[NH2+]CC3)cc2)n1 ZINC000649409625 452074486 /nfs/dbraw/zinc/07/44/86/452074486.db2.gz FQWAPGLAUXXCIV-UHFFFAOYSA-N 2 0 327.476 1.826 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647170602 452103722 /nfs/dbraw/zinc/10/37/22/452103722.db2.gz GZMHLBQAJLUBQM-UHFFFAOYSA-N 2 0 328.464 1.383 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)[C@]1(O)CCOC1 ZINC000647247247 452143295 /nfs/dbraw/zinc/14/32/95/452143295.db2.gz DVCLXDPFVXPCFC-SFHVURJKSA-N 2 0 330.432 1.843 20 0 EDADRP C[C@@H]1C[NH+](C(C)(C)CNc2nc(N)[nH+]c3c2CCCC3)C[C@@H](C)O1 ZINC000645107065 452155396 /nfs/dbraw/zinc/15/53/96/452155396.db2.gz LQWVMHLVLVSQJS-CHWSQXEVSA-N 2 0 333.480 1.659 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000641712536 452214827 /nfs/dbraw/zinc/21/48/27/452214827.db2.gz KNRIVGLSWVTFQQ-UHFFFAOYSA-N 2 0 343.475 1.917 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccncc2N)CC1 ZINC000641733245 452225683 /nfs/dbraw/zinc/22/56/83/452225683.db2.gz NKBAPGOGYVTJRO-UHFFFAOYSA-N 2 0 333.480 1.380 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000641779432 452249344 /nfs/dbraw/zinc/24/93/44/452249344.db2.gz HDOOVYVMZAMSJI-AEFFLSMTSA-N 2 0 328.460 1.753 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](CO)Cc1ccccc1 ZINC000647522568 452256953 /nfs/dbraw/zinc/25/69/53/452256953.db2.gz ODWKXIISKLCQNL-WOJBJXKFSA-N 2 0 328.456 1.673 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1n1cccn1 ZINC000657477315 452272174 /nfs/dbraw/zinc/27/21/74/452272174.db2.gz ZDHUYHGCKAGLNK-KSZLIROESA-N 2 0 338.415 1.972 20 0 EDADRP COCCOC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCOCC1 ZINC000657480620 452274884 /nfs/dbraw/zinc/27/48/84/452274884.db2.gz QMNHAFGRYALXOP-UHFFFAOYSA-N 2 0 346.431 1.569 20 0 EDADRP FC(F)(F)c1ccnc(NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000647548852 452277528 /nfs/dbraw/zinc/27/75/28/452277528.db2.gz XOZSKGPSXLKIAW-GRYCIOLGSA-N 2 0 329.370 1.885 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2=O)cc1 ZINC000647550152 452277609 /nfs/dbraw/zinc/27/76/09/452277609.db2.gz CNADAJTYVAETHV-BMFAXAFESA-N 2 0 343.471 1.774 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)(N2CCOCC2)C1 ZINC000647551554 452279503 /nfs/dbraw/zinc/27/95/03/452279503.db2.gz UWISHDXBXZQNJC-UPMGZUDPSA-N 2 0 337.508 1.234 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000661514321 452322902 /nfs/dbraw/zinc/32/29/02/452322902.db2.gz LZSXJGUUTUAPPK-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)[NH+](C)C)cc1 ZINC000638050715 452323503 /nfs/dbraw/zinc/32/35/03/452323503.db2.gz RDLNYBWWWPVWCS-JENIJYKNSA-N 2 0 333.476 1.735 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCCOC1 ZINC000638052285 452328783 /nfs/dbraw/zinc/32/87/83/452328783.db2.gz ZHLIOTRCLLFZMZ-WMLDXEAASA-N 2 0 337.489 1.757 20 0 EDADRP [NH3+]C1(CNC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CCCC1 ZINC000659481289 452341809 /nfs/dbraw/zinc/34/18/09/452341809.db2.gz XGWNWABQZVPWMM-KRWDZBQOSA-N 2 0 346.475 1.324 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000657573741 452342835 /nfs/dbraw/zinc/34/28/35/452342835.db2.gz RWVMDEQVKDGCBM-INIZCTEOSA-N 3 0 344.507 1.937 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)N[C@H]3CC[N@@H+](C4CC4)C3)C2)C1 ZINC000652152487 452344332 /nfs/dbraw/zinc/34/43/32/452344332.db2.gz ORCIITIYCTTWJI-AIANPOQGSA-N 2 0 336.480 1.151 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C[C@H]1C[NH3+] ZINC000652153074 452344760 /nfs/dbraw/zinc/34/47/60/452344760.db2.gz AHLAQLRPPLEAID-KFWWJZLASA-N 2 0 328.501 1.358 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)C[C@H]1C[NH3+] ZINC000652154828 452347065 /nfs/dbraw/zinc/34/70/65/452347065.db2.gz PLABEXQDQLORDX-BZUAXINKSA-N 2 0 326.485 1.256 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000638062318 452355785 /nfs/dbraw/zinc/35/57/85/452355785.db2.gz FBINUPOAUUHXCV-ZWKOTPCHSA-N 2 0 331.460 1.651 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000652164126 452358924 /nfs/dbraw/zinc/35/89/24/452358924.db2.gz FPTMCKLAOMHMEI-HOTGVXAUSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000652163816 452359880 /nfs/dbraw/zinc/35/98/80/452359880.db2.gz YUQGVRVGRKYWRF-KRWDZBQOSA-N 2 0 336.505 1.643 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1cccc(C(=O)NCC[NH+](CC)CC)c1 ZINC000638064694 452364428 /nfs/dbraw/zinc/36/44/28/452364428.db2.gz OCGJAWSVGSIPQT-AWEZNQCLSA-N 2 0 334.464 1.695 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCOC1 ZINC000638068546 452374577 /nfs/dbraw/zinc/37/45/77/452374577.db2.gz CMMLBGAENQNRQQ-IBGZPJMESA-N 2 0 331.460 1.307 20 0 EDADRP COC[C@]1(C(=O)NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CCCC[NH2+]1 ZINC000638077410 452389401 /nfs/dbraw/zinc/38/94/01/452389401.db2.gz SBLZLZSZXGDJPE-NUJGCVRESA-N 2 0 341.496 1.151 20 0 EDADRP C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)C[NH+]1CCCCC1 ZINC000638077545 452389426 /nfs/dbraw/zinc/38/94/26/452389426.db2.gz ULOSOSGBTJBTDP-IEBWSBKVSA-N 2 0 346.519 1.684 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638079356 452394748 /nfs/dbraw/zinc/39/47/48/452394748.db2.gz SMIXFGGDAIPPIQ-ZWKOTPCHSA-N 2 0 332.492 1.292 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659536064 452395767 /nfs/dbraw/zinc/39/57/67/452395767.db2.gz DXKNYFWQPWBTHK-NVXWUHKLSA-N 2 0 330.476 1.935 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NCC[N@H+](C)Cc2ccccc2)c1 ZINC000638080477 452395944 /nfs/dbraw/zinc/39/59/44/452395944.db2.gz NVUSMNMKJRMMEE-SFHVURJKSA-N 2 0 327.428 1.943 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000659540365 452399482 /nfs/dbraw/zinc/39/94/82/452399482.db2.gz RRXIKUCGYZATIL-OLMNPRSZSA-N 2 0 346.475 1.050 20 0 EDADRP C[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](C)[C@H]2CO)[C@@H]1CO ZINC000640057063 452399910 /nfs/dbraw/zinc/39/99/10/452399910.db2.gz QJVVSHPYSRMBIA-BRSBDYLESA-N 2 0 328.497 1.189 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000659558127 452415172 /nfs/dbraw/zinc/41/51/72/452415172.db2.gz XPQOJPGVBDUHSJ-FGTMMUONSA-N 2 0 334.508 1.796 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000654366893 452418230 /nfs/dbraw/zinc/41/82/30/452418230.db2.gz HQLRLKZEJAPDPH-CALCHBBNSA-N 2 0 348.491 1.766 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[NH+]2CCC1CC2 ZINC000659578649 452433154 /nfs/dbraw/zinc/43/31/54/452433154.db2.gz OAJKMXQNYJLUTO-QZTJIDSGSA-N 2 0 328.460 1.622 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C[C@@H]1[NH3+] ZINC000659581036 452436295 /nfs/dbraw/zinc/43/62/95/452436295.db2.gz HWMGJTVPHYICCD-CAAGUOMGSA-N 2 0 338.402 1.399 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000659587481 452443830 /nfs/dbraw/zinc/44/38/30/452443830.db2.gz FVXWPXZAIIVPQL-JQFCIGGWSA-N 2 0 332.448 1.131 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@](O)(C2CC2)C1)c1ccccc1 ZINC000661629676 452449903 /nfs/dbraw/zinc/44/99/03/452449903.db2.gz ZZZBWRNZHIZQRM-AZUAARDMSA-N 2 0 345.487 1.642 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000657712564 452463273 /nfs/dbraw/zinc/46/32/73/452463273.db2.gz VBCAAXFLZJSHTR-KRWDZBQOSA-N 2 0 330.476 1.587 20 0 EDADRP COc1cccc([C@H](C)NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000663755256 452485750 /nfs/dbraw/zinc/48/57/50/452485750.db2.gz IGGCYDSHXLWZLQ-HNNXBMFYSA-N 2 0 336.480 1.939 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)NCCC3CC[NH2+]CC3)C2)C1 ZINC000652325734 452499387 /nfs/dbraw/zinc/49/93/87/452499387.db2.gz XZFSWEPOJDYNIW-BRWVUGGUSA-N 2 0 338.496 1.304 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000655680198 452507028 /nfs/dbraw/zinc/50/70/28/452507028.db2.gz JOKXMGHTACDUCW-CVEARBPZSA-N 2 0 326.485 1.007 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C)C[NH2+]C ZINC000659646706 452507899 /nfs/dbraw/zinc/50/78/99/452507899.db2.gz PRUDLBLADIEFNS-WBVHZDCISA-N 2 0 333.480 1.685 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647790092 452522726 /nfs/dbraw/zinc/52/27/26/452522726.db2.gz RHCXAFKDBHHTLI-GBESFXJTSA-N 3 0 344.503 1.456 20 0 EDADRP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000647791580 452524262 /nfs/dbraw/zinc/52/42/62/452524262.db2.gz HVUHYEJRPMIGRE-JONQDZQNSA-N 2 0 329.444 1.778 20 0 EDADRP C[NH+](C)C1(CNC2CC[NH+]([C@H]3CCOC3)CC2)Cc2ccccc2C1 ZINC000655716231 452534340 /nfs/dbraw/zinc/53/43/40/452534340.db2.gz USJYXBLLIPLXAX-FQEVSTJZSA-N 2 0 343.515 1.929 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000655721105 452538156 /nfs/dbraw/zinc/53/81/56/452538156.db2.gz LBQVIGVVZJAHAX-ZWKOTPCHSA-N 2 0 327.513 1.576 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655734034 452544982 /nfs/dbraw/zinc/54/49/82/452544982.db2.gz XVNDQRJEJNCDRQ-CEXWTWQISA-N 2 0 337.508 1.207 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000659681495 452554701 /nfs/dbraw/zinc/55/47/01/452554701.db2.gz XHZJTRVFXIPRNC-OAHLLOKOSA-N 2 0 346.475 1.013 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCCC3CC(F)(F)C3)C2)CC1 ZINC000652370539 452557359 /nfs/dbraw/zinc/55/73/59/452557359.db2.gz BURRMRIZKJDFJN-AWEZNQCLSA-N 2 0 344.450 1.890 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000657834724 452557449 /nfs/dbraw/zinc/55/74/49/452557449.db2.gz UNUQLCUIGKKRJA-OALUTQOASA-N 2 0 341.540 1.680 20 0 EDADRP C[C@H]1C[N@H+](CCCNC2CC[NH+](C[C@H]3CCCO3)CC2)CCCO1 ZINC000655760011 452562895 /nfs/dbraw/zinc/56/28/95/452562895.db2.gz UVNSJPUZLKTFTE-PKOBYXMFSA-N 3 0 339.524 1.720 20 0 EDADRP C[C@@H]1CCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H](C[NH3+])C1 ZINC000659687707 452564837 /nfs/dbraw/zinc/56/48/37/452564837.db2.gz YJCUVYUSEIYUNZ-ILXRZTDVSA-N 2 0 340.512 1.055 20 0 EDADRP O=C(N[C@@H]1CCN(c2ccccn2)C1)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654506152 452580402 /nfs/dbraw/zinc/58/04/02/452580402.db2.gz PCXQGPAHOLRCKE-IKGGRYGDSA-N 2 0 343.475 1.976 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000657870323 452580790 /nfs/dbraw/zinc/58/07/90/452580790.db2.gz DYKRNSGDDIOKRQ-LJQANCHMSA-N 2 0 341.540 1.681 20 0 EDADRP Cc1ncc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)s1 ZINC000666190305 452671232 /nfs/dbraw/zinc/67/12/32/452671232.db2.gz VKAAWBUMGLUPCE-AWEZNQCLSA-N 2 0 338.521 1.899 20 0 EDADRP C[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)[N@@H+]1CCc2ccccc2C1 ZINC000655915148 452674668 /nfs/dbraw/zinc/67/46/68/452674668.db2.gz ROXARRWWEHNKGT-SMDDNHRTSA-N 2 0 344.381 1.622 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916049 452677528 /nfs/dbraw/zinc/67/75/28/452677528.db2.gz ZKZUDCKADMEKSW-GRYCIOLGSA-N 2 0 338.418 1.932 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000661946902 452703743 /nfs/dbraw/zinc/70/37/43/452703743.db2.gz CXTUULQSFITHCA-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CC1)[C@H]1CCCCO1 ZINC000654621689 452704713 /nfs/dbraw/zinc/70/47/13/452704713.db2.gz HXRRIVYRFXLGJM-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP CC(=O)NC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000658070109 452713766 /nfs/dbraw/zinc/71/37/66/452713766.db2.gz LRTAIZIYWGQRPF-UHFFFAOYSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000645718640 452719669 /nfs/dbraw/zinc/71/96/69/452719669.db2.gz QYNVZLKOODWRAO-XUWVNRHRSA-N 2 0 348.495 1.126 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2ccccn12 ZINC000647975684 452721454 /nfs/dbraw/zinc/72/14/54/452721454.db2.gz DMXYYDJPJSUEHC-JKSUJKDBSA-N 2 0 326.444 1.906 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000655955901 452730651 /nfs/dbraw/zinc/73/06/51/452730651.db2.gz GEVKWPIZSGMJOV-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664034487 452732442 /nfs/dbraw/zinc/73/24/42/452732442.db2.gz WZFVYZSZOSBOFN-IAGOWNOFSA-N 3 0 341.544 1.432 20 0 EDADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647990275 452733519 /nfs/dbraw/zinc/73/35/19/452733519.db2.gz NHPQCCFHUPNLPO-INIZCTEOSA-N 2 0 329.510 1.266 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000647993712 452735794 /nfs/dbraw/zinc/73/57/94/452735794.db2.gz LBWSNYRHOLOTBM-ROUUACIJSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)n1cncn1 ZINC000658138381 452745632 /nfs/dbraw/zinc/74/56/32/452745632.db2.gz MRCXYQOTBDZHJR-MAUKXSAKSA-N 2 0 343.475 1.758 20 0 EDADRP CO[C@@H](CNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000656022600 452809552 /nfs/dbraw/zinc/80/95/52/452809552.db2.gz LXBCNHOYNCVKLQ-SJORKVTESA-N 2 0 338.496 1.221 20 0 EDADRP CC1(OCC(=O)N2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)C[NH2+]C1 ZINC000648122814 452839054 /nfs/dbraw/zinc/83/90/54/452839054.db2.gz VIXVOAHGDZKXOM-MSOLQXFVSA-N 2 0 345.487 1.564 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nnn1C1CC[NH2+]CC1 ZINC000648157828 452867556 /nfs/dbraw/zinc/86/75/56/452867556.db2.gz HWUMTFWMIIKCSI-GDBMZVCRSA-N 2 0 346.479 1.067 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648177602 452889429 /nfs/dbraw/zinc/88/94/29/452889429.db2.gz IOIOQNJETMBNBS-ZWKOTPCHSA-N 2 0 343.471 1.228 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000664216259 452890535 /nfs/dbraw/zinc/89/05/35/452890535.db2.gz GEALTCBYQCYNQC-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)C2CC3CC(C2)CC1C3 ZINC000648179046 452891720 /nfs/dbraw/zinc/89/17/20/452891720.db2.gz QULOUIUKXPHWOW-NUAPRZDKSA-N 2 0 327.419 1.501 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)CCc1ccccc1Cl ZINC000658381469 452898630 /nfs/dbraw/zinc/89/86/30/452898630.db2.gz QDMKPWNMFVUWCO-UHFFFAOYSA-N 2 0 333.885 1.212 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708762 452945907 /nfs/dbraw/zinc/94/59/07/452945907.db2.gz LKEVHBZQVWKKCT-LPHOPBHVSA-N 2 0 331.460 1.714 20 0 EDADRP Cc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)s1 ZINC000662253320 452980547 /nfs/dbraw/zinc/98/05/47/452980547.db2.gz IWPHZSUWEWWXDY-HNNXBMFYSA-N 2 0 349.500 1.772 20 0 EDADRP NC(=O)C1(c2ccccc2)CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662254726 452982990 /nfs/dbraw/zinc/98/29/90/452982990.db2.gz KGFHXRISAMJYHW-MRXNPFEDSA-N 2 0 329.444 1.027 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(S(N)(=O)=O)cc1 ZINC000662284444 453007513 /nfs/dbraw/zinc/00/75/13/453007513.db2.gz YGOYJDXVTVQPEF-CYBMUJFWSA-N 2 0 345.468 1.831 20 0 EDADRP O=C1N[C@@H]2C[N@H+](CC[C@H]3CCCCO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000662283023 453008330 /nfs/dbraw/zinc/00/83/30/453008330.db2.gz ZOHGMBFZFQHPQI-BRWVUGGUSA-N 2 0 336.480 1.166 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CC(C)(C)[NH3+] ZINC000662293950 453016795 /nfs/dbraw/zinc/01/67/95/453016795.db2.gz YAUQEMIRBUIZOF-MRXNPFEDSA-N 2 0 346.519 1.825 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327830 453044767 /nfs/dbraw/zinc/04/47/67/453044767.db2.gz WLZXUCHTQDRCDP-UHFFFAOYSA-N 2 0 333.480 1.534 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662327502 453045706 /nfs/dbraw/zinc/04/57/06/453045706.db2.gz PWKMURLNYQWRDE-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC([NH+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120169 453047182 /nfs/dbraw/zinc/04/71/82/453047182.db2.gz DRJJLXCONKSUIE-SOLBZPMBSA-N 2 0 336.524 1.378 20 0 EDADRP CC(C)OCCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662338279 453056121 /nfs/dbraw/zinc/05/61/21/453056121.db2.gz PVYRYTOGSDDBCI-INIZCTEOSA-N 2 0 335.496 1.814 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666699167 453077729 /nfs/dbraw/zinc/07/77/29/453077729.db2.gz YVKNVZBBHLXXTP-KGLIPLIRSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H](C)O1 ZINC000662367517 453078607 /nfs/dbraw/zinc/07/86/07/453078607.db2.gz AYFIQQYVSIWCRS-DAYGRLMNSA-N 2 0 331.460 1.837 20 0 EDADRP C[C@H](CNC(=O)c1cc(C2CC[NH2+]CC2)no1)[N@@H+]1CCC[C@H](C)C1 ZINC000662386683 453096993 /nfs/dbraw/zinc/09/69/93/453096993.db2.gz DPWCVTRQIIVVGQ-UONOGXRCSA-N 2 0 334.464 1.992 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000662388726 453098321 /nfs/dbraw/zinc/09/83/21/453098321.db2.gz QZGJCSLWXRNGJZ-INIZCTEOSA-N 2 0 332.448 1.320 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662421800 453131008 /nfs/dbraw/zinc/13/10/08/453131008.db2.gz PBDSNRQQGMKWDD-CQSZACIVSA-N 2 0 334.464 1.992 20 0 EDADRP C[C@H](CNC(=O)N(C)Cc1c[nH]cn1)[N@@H+]1CCc2ccccc2C1 ZINC000660281584 453170529 /nfs/dbraw/zinc/17/05/29/453170529.db2.gz GTKRMSWAWRHRAT-CQSZACIVSA-N 2 0 327.432 1.998 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000662475762 453189422 /nfs/dbraw/zinc/18/94/22/453189422.db2.gz OSAKSRQJZQWVID-IRXDYDNUSA-N 2 0 346.475 1.789 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662498609 453213933 /nfs/dbraw/zinc/21/39/33/453213933.db2.gz RMZKSYJWLVGKQK-AWEZNQCLSA-N 2 0 334.464 1.849 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000662523854 453242759 /nfs/dbraw/zinc/24/27/59/453242759.db2.gz HTLRVEJQBLKKEO-UHFFFAOYSA-N 2 0 346.479 1.293 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000666971789 453287434 /nfs/dbraw/zinc/28/74/34/453287434.db2.gz HGLGNUYXEKJHMZ-IAGOWNOFSA-N 2 0 336.480 1.119 20 0 EDADRP CN(C(=O)[C@H](N)CC[NH+](C)C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000653111130 453297926 /nfs/dbraw/zinc/29/79/26/453297926.db2.gz FMHRSEHFJYLELV-QZTJIDSGSA-N 3 0 332.492 1.388 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000666978710 453299011 /nfs/dbraw/zinc/29/90/11/453299011.db2.gz BYYHMCVQRCWZDC-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666978305 453299553 /nfs/dbraw/zinc/29/95/53/453299553.db2.gz WJVBGVXJAPNMOI-DLBZAZTESA-N 2 0 338.496 1.364 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3cc4c(s3)CC[NH2+]C4)CC2)C1 ZINC000662576513 453303086 /nfs/dbraw/zinc/30/30/86/453303086.db2.gz VOYVJHIEFNXQBV-CABCVRRESA-N 2 0 349.500 1.752 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653122825 453315706 /nfs/dbraw/zinc/31/57/06/453315706.db2.gz FLODUXUIECZXOW-RTBURBONSA-N 2 0 346.519 1.636 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653123136 453316050 /nfs/dbraw/zinc/31/60/50/453316050.db2.gz OXCHTBUWYCDTQV-MAUKXSAKSA-N 2 0 348.491 1.625 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cc2)CC1 ZINC000653125033 453319456 /nfs/dbraw/zinc/31/94/56/453319456.db2.gz QUNQGZBVEWBIBX-SFHVURJKSA-N 2 0 347.507 1.042 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(-c2nnc(C[NH3+])[n-]2)cc1)n1cc[nH+]c1 ZINC000653135084 453327118 /nfs/dbraw/zinc/32/71/18/453327118.db2.gz SIEKASXKTALQIC-NSHDSACASA-N 2 0 325.376 1.717 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651201201 453355146 /nfs/dbraw/zinc/35/51/46/453355146.db2.gz FWIODRKAPNDHHQ-JQHSSLGASA-N 2 0 337.508 1.581 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000653164430 453357312 /nfs/dbraw/zinc/35/73/12/453357312.db2.gz LPLMSYWBDYTWIH-GOSISDBHSA-N 3 0 344.503 1.486 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000655247102 453371301 /nfs/dbraw/zinc/37/13/01/453371301.db2.gz SIKWSUXEHATGCC-SCTDSRPQSA-N 2 0 331.460 1.080 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662668624 453381519 /nfs/dbraw/zinc/38/15/19/453381519.db2.gz HPNIRHIQWZTVJQ-ZWKOTPCHSA-N 2 0 331.460 1.653 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000664758946 453384324 /nfs/dbraw/zinc/38/43/24/453384324.db2.gz QZLGJPJXYJDSOH-INIZCTEOSA-N 2 0 342.528 1.907 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3CCO[C@@H]3C[NH3+])cc2)C1 ZINC000662675624 453392328 /nfs/dbraw/zinc/39/23/28/453392328.db2.gz NVSFGWBTQUFPGP-AYOQOUSVSA-N 2 0 345.487 1.899 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccsc1 ZINC000662680329 453399480 /nfs/dbraw/zinc/39/94/80/453399480.db2.gz VFTDIODMGWUJSK-RRFJBIMHSA-N 2 0 325.478 1.611 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662680656 453400641 /nfs/dbraw/zinc/40/06/41/453400641.db2.gz XUCMIWIEYOQBEE-MRXNPFEDSA-N 2 0 341.377 1.703 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000662700208 453419612 /nfs/dbraw/zinc/41/96/12/453419612.db2.gz UOKMCSIUPDKVCG-QAQDUYKDSA-N 2 0 331.460 1.761 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000662704933 453427804 /nfs/dbraw/zinc/42/78/04/453427804.db2.gz LXQMQGNGRLXKRT-IRXDYDNUSA-N 2 0 349.500 1.580 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142917 453435035 /nfs/dbraw/zinc/43/50/35/453435035.db2.gz BQNSIYLHNVDWNR-UHFFFAOYSA-N 2 0 346.475 1.808 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCCN2C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000653258056 453439608 /nfs/dbraw/zinc/43/96/08/453439608.db2.gz CORSQCVPCCUDPW-HYVNUMGLSA-N 2 0 328.416 1.835 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000651295859 453443485 /nfs/dbraw/zinc/44/34/85/453443485.db2.gz QSGWFJMELWCKSJ-KSZLIROESA-N 2 0 335.492 1.334 20 0 EDADRP Cc1cc(NC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n(C2CC[NH+](C)CC2)n1 ZINC000667176488 453453744 /nfs/dbraw/zinc/45/37/44/453453744.db2.gz GZVMVEFCZRGLSH-GASCZTMLSA-N 2 0 346.479 1.816 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664919451 453484280 /nfs/dbraw/zinc/48/42/80/453484280.db2.gz GGCSORQFPVMBPR-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662756408 453494444 /nfs/dbraw/zinc/49/44/44/453494444.db2.gz HNQSHBURJLWDCC-ZDUSSCGKSA-N 2 0 336.505 1.150 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000667328041 453561165 /nfs/dbraw/zinc/56/11/65/453561165.db2.gz CJQZUNYTJXFTPY-GUDVDZBRSA-N 2 0 342.487 1.997 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+]1Cc1ccccc1)N1CC[NH+](CC2CC2)CC1 ZINC000667332231 453565950 /nfs/dbraw/zinc/56/59/50/453565950.db2.gz WVVIDBRWVXWHLW-IBGZPJMESA-N 2 0 342.487 1.998 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000662857581 453574274 /nfs/dbraw/zinc/57/42/74/453574274.db2.gz BKKQASGKVBEFGW-AEFFLSMTSA-N 2 0 331.460 1.259 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000662866978 453579544 /nfs/dbraw/zinc/57/95/44/453579544.db2.gz JEQODHMSYASIHX-FCGDIQPGSA-N 2 0 327.472 1.884 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000662868551 453580061 /nfs/dbraw/zinc/58/00/61/453580061.db2.gz KLGRZXJYIPGPEV-HLNWXESRSA-N 2 0 343.471 1.647 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000659015427 453581359 /nfs/dbraw/zinc/58/13/59/453581359.db2.gz PZBIIHVGNHFIKP-MRXNPFEDSA-N 2 0 348.495 1.688 20 0 EDADRP CC[NH+]1CCN(CCC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000662885747 453587559 /nfs/dbraw/zinc/58/75/59/453587559.db2.gz WFFCBFNQDJWAFQ-SFHVURJKSA-N 2 0 346.475 1.314 20 0 EDADRP [NH3+]C1(CC(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)CC1 ZINC000662888256 453588377 /nfs/dbraw/zinc/58/83/77/453588377.db2.gz ZDKQDDNBADIZHD-UHFFFAOYSA-N 2 0 328.460 1.339 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034598 453591825 /nfs/dbraw/zinc/59/18/25/453591825.db2.gz OWNHGOYXZFQQRI-IRXDYDNUSA-N 2 0 348.447 1.190 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000660829454 453592791 /nfs/dbraw/zinc/59/27/91/453592791.db2.gz GFBLXVROXOXGHD-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659041361 453596460 /nfs/dbraw/zinc/59/64/60/453596460.db2.gz HXDCYRNHXOUOKL-KRWDZBQOSA-N 2 0 348.447 1.191 20 0 EDADRP COCCc1ccc(OC[C@@H](O)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000665232413 453618005 /nfs/dbraw/zinc/61/80/05/453618005.db2.gz MKEKZUVAXRDUIY-ABHNRTSZSA-N 2 0 336.476 1.722 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662972941 453630975 /nfs/dbraw/zinc/63/09/75/453630975.db2.gz UKPFZEGBKBXPHI-OAHLLOKOSA-N 2 0 333.398 1.767 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662973888 453631836 /nfs/dbraw/zinc/63/18/36/453631836.db2.gz XZAQUVXCUONCFG-KRWDZBQOSA-N 2 0 333.476 1.631 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000665289325 453637163 /nfs/dbraw/zinc/63/71/63/453637163.db2.gz LKQGXXCNUXGCOD-QZTJIDSGSA-N 3 0 330.476 1.711 20 0 EDADRP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291982 453637786 /nfs/dbraw/zinc/63/77/86/453637786.db2.gz PWHCIKSWBWNQHC-CYBMUJFWSA-N 2 0 346.431 1.769 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291147 453638193 /nfs/dbraw/zinc/63/81/93/453638193.db2.gz VLEJNDCCRLHVSH-CJNGLKHVSA-N 2 0 333.480 1.774 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000665363961 453668259 /nfs/dbraw/zinc/66/82/59/453668259.db2.gz GNZKLTJCHOSJFO-HZPDHXFCSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000659264012 453691530 /nfs/dbraw/zinc/69/15/30/453691530.db2.gz IROQEVZFOCLUFE-OFQRWUPVSA-N 2 0 339.505 2.000 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000659287678 453702823 /nfs/dbraw/zinc/70/28/23/453702823.db2.gz RVEVWGQWARKPPZ-SZMVWBNQSA-N 2 0 333.476 1.908 20 0 EDADRP C[C@@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203482 453757610 /nfs/dbraw/zinc/75/76/10/453757610.db2.gz NYOQYKTVFLDPGS-JPPDAWHYSA-N 2 0 336.520 1.951 20 0 EDADRP c1nn2c(c1C[NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000657339402 453769218 /nfs/dbraw/zinc/76/92/18/453769218.db2.gz DLRQTETUYWWPDP-UHFFFAOYSA-N 2 0 340.475 1.526 20 0 EDADRP CN(C(=O)CC[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000663362816 453779355 /nfs/dbraw/zinc/77/93/55/453779355.db2.gz YIHLUKGBCZMSLS-UHFFFAOYSA-N 2 0 332.492 1.655 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000661361427 453799543 /nfs/dbraw/zinc/79/95/43/453799543.db2.gz MCGMCXPOZNNRIT-LVQVYYBASA-N 2 0 326.485 1.268 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](CC)C1 ZINC000663480841 453805699 /nfs/dbraw/zinc/80/56/99/453805699.db2.gz UDPOJTPOPCGOJL-IAGOWNOFSA-N 2 0 340.512 1.469 20 0 EDADRP COc1ccccc1[C@H]1C[NH2+]CCN1Cc1nc2c(s1)C[NH2+]CC2 ZINC000663492856 453809778 /nfs/dbraw/zinc/80/97/78/453809778.db2.gz CNKARZOVGYVOPY-OAHLLOKOSA-N 2 0 344.484 1.944 20 0 EDADRP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc(Cl)c1OCC(N)=O ZINC000663500365 453810810 /nfs/dbraw/zinc/81/08/10/453810810.db2.gz QFTVXDPJCDJLIW-CYBMUJFWSA-N 2 0 343.855 1.676 20 0 EDADRP C[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000382767265 486695722 /nfs/dbraw/zinc/69/57/22/486695722.db2.gz WVSHSXFBGQSFOJ-MRXNPFEDSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1)C[NH+]1CCCCC1 ZINC000676244540 486705092 /nfs/dbraw/zinc/70/50/92/486705092.db2.gz BWMKDFYDEYGAHX-OWCLPIDISA-N 2 0 326.485 1.127 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000683420256 486713986 /nfs/dbraw/zinc/71/39/86/486713986.db2.gz CYRNAELYJQXCED-INIZCTEOSA-N 2 0 338.496 1.413 20 0 EDADRP CN(C(=O)C(C)(C)c1cnn(C)c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000680196834 486718576 /nfs/dbraw/zinc/71/85/76/486718576.db2.gz PQFYXCZCXBUFRK-KRWDZBQOSA-N 2 0 347.507 1.325 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1 ZINC000672740148 486786786 /nfs/dbraw/zinc/78/67/86/486786786.db2.gz TUJYZQAAHIVKQU-QZTJIDSGSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1ccnn1-c1cc[nH+]cc1 ZINC000667706810 486927416 /nfs/dbraw/zinc/92/74/16/486927416.db2.gz IXDVQHMLANDQGM-BHIYHBOVSA-N 2 0 341.459 1.951 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000667795855 486968594 /nfs/dbraw/zinc/96/85/94/486968594.db2.gz SBFCOMMLPFDRMC-MRXNPFEDSA-N 2 0 329.448 1.819 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667801853 486971794 /nfs/dbraw/zinc/97/17/94/486971794.db2.gz DNRXDFFUIRQQJT-BBRMVZONSA-N 2 0 329.448 1.818 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2C1 ZINC000667806969 486974522 /nfs/dbraw/zinc/97/45/22/486974522.db2.gz CHKRNIINVCJLBC-WBVHZDCISA-N 2 0 343.475 1.990 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2CCC[N@H+](C)C2)n(C2CC[NH+](C)CC2)n1 ZINC000674318933 487236089 /nfs/dbraw/zinc/23/60/89/487236089.db2.gz KINUKEVVPPMHFJ-AWEZNQCLSA-N 2 0 334.468 1.674 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000674326932 487237572 /nfs/dbraw/zinc/23/75/72/487237572.db2.gz HOJBEHNXRHXWEL-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1ccc2nc(CN3CCN(c4cc[nH+]cc4)CC3)cc(=O)n2c1 ZINC000679436862 487425831 /nfs/dbraw/zinc/42/58/31/487425831.db2.gz OIPCSJUKAHQNTP-UHFFFAOYSA-N 2 0 335.411 1.720 20 0 EDADRP C[C@H]([NH2+][C@]1(C)CCO[C@@H]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000683146897 487455200 /nfs/dbraw/zinc/45/52/00/487455200.db2.gz QUCUOGZLBXEUCG-WBQJQJEBSA-N 2 0 345.487 1.923 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000669521446 485488861 /nfs/dbraw/zinc/48/88/61/485488861.db2.gz NVHFSPBNBJURQD-RHSMWYFYSA-N 2 0 325.416 1.273 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[C@@H]1[NH3+] ZINC000669547118 485537397 /nfs/dbraw/zinc/53/73/97/485537397.db2.gz FUKPWJKCWVIAJF-HOTGVXAUSA-N 2 0 349.479 1.291 20 0 EDADRP CN(CC[NH3+])C(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669556919 485560062 /nfs/dbraw/zinc/56/00/62/485560062.db2.gz NUEMGYGDCNRJFN-OKZBNKHCSA-N 2 0 330.476 1.887 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)N[C@@H]1CCC[NH2+]C1 ZINC000669570465 485589612 /nfs/dbraw/zinc/58/96/12/485589612.db2.gz VUXIFZJFVORMCC-QZTJIDSGSA-N 2 0 346.475 1.329 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000668348535 485616433 /nfs/dbraw/zinc/61/64/33/485616433.db2.gz WLLZQMDTDAAUQF-HNNXBMFYSA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)c1 ZINC000669139235 485729938 /nfs/dbraw/zinc/72/99/38/485729938.db2.gz SLBSROZJVDWGCB-AEFFLSMTSA-N 2 0 346.475 1.520 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436821 485749224 /nfs/dbraw/zinc/74/92/24/485749224.db2.gz OYOGCNYNEGTJRD-OALUTQOASA-N 2 0 345.487 1.703 20 0 EDADRP CC(C)c1[nH+]c(CN(CC[NH+](C)C)CC(=O)N(C)C)c2ccccn21 ZINC000668558190 485890854 /nfs/dbraw/zinc/89/08/54/485890854.db2.gz YNAIZCMCPNTVFL-UHFFFAOYSA-N 2 0 345.491 1.910 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000669306367 485951256 /nfs/dbraw/zinc/95/12/56/485951256.db2.gz QGNXBUYDARHOQU-GDBMZVCRSA-N 2 0 326.485 1.399 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)NC/C=C/C[NH3+])[C@@H](c2ccccc2)C1 ZINC000669347611 485996023 /nfs/dbraw/zinc/99/60/23/485996023.db2.gz SDIUNGZHFDNARY-DUMMIQTOSA-N 2 0 345.491 1.179 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC)CCOCC2)[C@@H](C)C1 ZINC000678601659 486044970 /nfs/dbraw/zinc/04/49/70/486044970.db2.gz BPVSRIASYDOPQC-IRXDYDNUSA-N 2 0 328.497 1.909 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000669420514 486141060 /nfs/dbraw/zinc/14/10/60/486141060.db2.gz NTQFRQDZTDNALE-SJLPKXTDSA-N 2 0 330.476 1.935 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC/C=C/C[NH3+])CC2)cc1 ZINC000669422682 486143063 /nfs/dbraw/zinc/14/30/63/486143063.db2.gz PQYYHIYPGVQLQX-NSCUHMNNSA-N 2 0 346.475 1.721 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669426301 486146668 /nfs/dbraw/zinc/14/66/68/486146668.db2.gz GUKMSIWDUPUUTM-WBVHZDCISA-N 2 0 346.475 1.520 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000669485320 486251771 /nfs/dbraw/zinc/25/17/71/486251771.db2.gz VYFZBQHVBQYURB-BLLLJJGKSA-N 2 0 338.427 1.145 20 0 EDADRP C[C@]([NH3+])(C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000669509647 486292696 /nfs/dbraw/zinc/29/26/96/486292696.db2.gz KWWKKBQDPLFNSM-UKRRQHHQSA-N 2 0 340.265 1.881 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](Cc2cncnc2)CC1 ZINC000131886936 491213983 /nfs/dbraw/zinc/21/39/83/491213983.db2.gz VACWNGWCZVTTPL-UHFFFAOYSA-N 2 0 333.480 1.393 20 0 EDADRP CN(CCC(=O)NCCCN1CCC[N@H+](C)CC1)c1cc[nH+]cc1 ZINC000679408790 491011201 /nfs/dbraw/zinc/01/12/01/491011201.db2.gz ODTUDACSVBSODC-UHFFFAOYSA-N 2 0 333.480 1.052 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[NH2+]C1CC1)[NH+]1CCOCC1 ZINC000669035365 491019108 /nfs/dbraw/zinc/01/91/08/491019108.db2.gz GBASAYFYGSJDON-INIZCTEOSA-N 2 0 326.485 1.175 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000418504748 518061774 /nfs/dbraw/zinc/06/17/74/518061774.db2.gz CJCNREWHRLWTLL-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000576578751 518179429 /nfs/dbraw/zinc/17/94/29/518179429.db2.gz LWXJPCXEOUSNOW-IMFGXOCKSA-N 2 0 331.504 1.898 20 0 EDADRP C[NH2+]CC1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000237367147 536442936 /nfs/dbraw/zinc/44/29/36/536442936.db2.gz IWDYPFZDPANJAP-UHFFFAOYSA-N 2 0 344.503 1.657 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000189828382 528436219 /nfs/dbraw/zinc/43/62/19/528436219.db2.gz AVBUEKOVSOFJEA-UHFFFAOYSA-N 2 0 334.464 1.487 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000339612020 535065552 /nfs/dbraw/zinc/06/55/52/535065552.db2.gz HJQNKIGSISWQPN-HOTGVXAUSA-N 2 0 340.512 1.020 20 0 EDADRP CC(C)n1nccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261787889 535146831 /nfs/dbraw/zinc/14/68/31/535146831.db2.gz FZYJCJAYHHCYGP-NVXWUHKLSA-N 2 0 333.480 1.544 20 0 EDADRP CC(CN1CC[NH+](CC2CC2)CC1)CN1CC[NH+](CC2CC2)CC1 ZINC000346445262 535175512 /nfs/dbraw/zinc/17/55/12/535175512.db2.gz YRXAMKPDNKLCMD-UHFFFAOYSA-N 2 0 334.552 1.678 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000332611267 535467994 /nfs/dbraw/zinc/46/79/94/535467994.db2.gz PBWKWUSAKJGYAJ-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1ccc(O)cc1 ZINC000345235127 535594690 /nfs/dbraw/zinc/59/46/90/535594690.db2.gz XLMKWZQWYSYHII-INIZCTEOSA-N 2 0 349.475 1.646 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1cccc(OC)c1 ZINC000261780213 535670944 /nfs/dbraw/zinc/67/09/44/535670944.db2.gz HKENKULHRHSINZ-QGZVFWFLSA-N 2 0 349.475 1.702 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC3([NH3+])CCCCC3)C2)CC1 ZINC000333866450 535731704 /nfs/dbraw/zinc/73/17/04/535731704.db2.gz TVAZRAWBJGVQFE-MRXNPFEDSA-N 2 0 337.512 1.069 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@@H+]1CCOC ZINC000347064308 535735869 /nfs/dbraw/zinc/73/58/69/535735869.db2.gz GMOUITMGACJMLV-KRWDZBQOSA-N 2 0 342.528 1.859 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCCC[NH2+]3)ccc2oc1=O ZINC000236990503 535933746 /nfs/dbraw/zinc/93/37/46/535933746.db2.gz SITPPBHIEFFHLH-ZDUSSCGKSA-N 2 0 332.404 1.237 20 0 EDADRP CN(C)Cc1cnc(C[NH2+]CCN2CCC([NH+](C)C)CC2)s1 ZINC000352785467 536057972 /nfs/dbraw/zinc/05/79/72/536057972.db2.gz GPCIWVACNUKPTL-UHFFFAOYSA-N 2 0 325.526 1.320 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3C[C@@H]4CCCC[C@@H]4[NH2+]3)CC2)CC1 ZINC000237069925 536340347 /nfs/dbraw/zinc/34/03/47/536340347.db2.gz DXFMTNPBGSRDIC-SNRMKQJTSA-N 2 0 348.535 1.582 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)C2)CC1 ZINC000262783929 536346102 /nfs/dbraw/zinc/34/61/02/536346102.db2.gz NQMKFKDKCGEXEA-IRXDYDNUSA-N 2 0 345.491 1.612 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@H]2COCC[NH2+]2)[C@@H]1c1cccs1 ZINC000262435605 536385880 /nfs/dbraw/zinc/38/58/80/536385880.db2.gz UGXAFAPRLIFRIF-JKIFEVAISA-N 2 0 337.489 1.626 20 0 EDADRP COC[C@]1(C(=O)N(C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000261571737 536651292 /nfs/dbraw/zinc/65/12/92/536651292.db2.gz LEXWTAACYZHVPM-FQEVSTJZSA-N 2 0 345.487 1.736 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397882 579478866 /nfs/dbraw/zinc/47/88/66/579478866.db2.gz BUUYKBVKUDHQOQ-CQSZACIVSA-N 2 0 331.468 1.878 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000726090875 578332775 /nfs/dbraw/zinc/33/27/75/578332775.db2.gz CLTIAKVKRVOFOK-UHFFFAOYSA-N 2 0 342.447 1.798 20 0 EDADRP Cc1nn(C)c(C)c1CN(C)C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000726797061 578361596 /nfs/dbraw/zinc/36/15/96/578361596.db2.gz YJLABGCKXFDILW-GOSISDBHSA-N 2 0 330.476 1.962 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C[C@@H]3CCCO3)cc2)CC1 ZINC000727057280 578512386 /nfs/dbraw/zinc/51/23/86/578512386.db2.gz LZFDHLGFQDYBPI-SFHVURJKSA-N 2 0 346.475 1.536 20 0 EDADRP C[NH+](C)[C@H](CNC(=S)NCC1CC[NH+](C)CC1)Cc1ccccc1 ZINC000760463312 580031323 /nfs/dbraw/zinc/03/13/23/580031323.db2.gz MYJVZZJBJPKQNZ-SFHVURJKSA-N 2 0 348.560 1.965 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760488355 580031880 /nfs/dbraw/zinc/03/18/80/580031880.db2.gz SAPOLTRRIGEQGK-INIZCTEOSA-N 2 0 326.554 1.866 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000749592925 579731837 /nfs/dbraw/zinc/73/18/37/579731837.db2.gz XOZALSMXOWQSQN-DOTOQJQBSA-N 2 0 331.464 1.786 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)NC[C@@H]1CC[NH+](CC(C)C)C1 ZINC000756815403 579957477 /nfs/dbraw/zinc/95/74/77/579957477.db2.gz ZWFSEYHIRFUSRY-JKSUJKDBSA-N 2 0 326.554 1.913 20 0 EDADRP COc1cc(CNC(=O)C2([NH+](C)C)CCC2)ccc1OCC[NH+](C)C ZINC000763029543 580090365 /nfs/dbraw/zinc/09/03/65/580090365.db2.gz FZAPHOQGGVOSMY-UHFFFAOYSA-N 2 0 349.475 1.736 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)s1 ZINC000764099523 580113332 /nfs/dbraw/zinc/11/33/32/580113332.db2.gz AEKJHUKZIUUHRP-ZDUSSCGKSA-N 2 0 339.509 1.673 20 0 EDADRP C[NH+](C)CCCNC(=S)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000767685100 580196863 /nfs/dbraw/zinc/19/68/63/580196863.db2.gz LTFODTKSFYUINX-HZPDHXFCSA-N 2 0 342.553 1.170 20 0 EDADRP C[C@H]([NH2+][C@H](CCO)C1CC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000771803403 580294698 /nfs/dbraw/zinc/29/46/98/580294698.db2.gz RWGCNBIOFZUCMR-ZYSHUDEJSA-N 2 0 345.487 1.516 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000772981591 580324793 /nfs/dbraw/zinc/32/47/93/580324793.db2.gz HKCDHPDUEONIFI-HOCLYGCPSA-N 2 0 325.497 1.913 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775372662 580389543 /nfs/dbraw/zinc/38/95/43/580389543.db2.gz FTCYSTJIITXBAA-PMPSAXMXSA-N 2 0 329.579 1.983 20 0 EDADRP CN1CC[NH+]([C@H]2CC[C@@H](NC(=O)C3CC[NH+](C4CC4)CC3)CC2)CC1 ZINC000787524925 580696976 /nfs/dbraw/zinc/69/69/76/580696976.db2.gz KOSBIODBMVOZTR-HDICACEKSA-N 2 0 348.535 1.536 20 0 EDADRP CO[C@H](C)C[N@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000796640981 580958765 /nfs/dbraw/zinc/95/87/65/580958765.db2.gz TWXMUARKUSVTJD-MRXNPFEDSA-N 2 0 333.476 1.865 20 0 EDADRP C[C@@H](CNC(=O)NCCN1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCCC1 ZINC000799376597 581026856 /nfs/dbraw/zinc/02/68/56/581026856.db2.gz BQIYUKLMBZZJLC-INIZCTEOSA-N 2 0 339.528 1.186 20 0 EDADRP COCCC1(NC(=O)NC2CC([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000891867101 590662661 /nfs/dbraw/zinc/66/26/61/590662661.db2.gz JXKIHVOQTAKXLD-UHFFFAOYSA-N 2 0 338.496 1.461 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)[C@H]1OC ZINC000893114270 590668366 /nfs/dbraw/zinc/66/83/66/590668366.db2.gz UNQCGVYJFQFGLH-QXDIGNSFSA-N 2 0 326.481 1.536 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891910243 590683855 /nfs/dbraw/zinc/68/38/55/590683855.db2.gz PNSMKWPBLNOPHJ-LBPRGKRZSA-N 2 0 339.509 1.790 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC1CC[NH+](C2CCC2)CC1 ZINC000891944210 590699659 /nfs/dbraw/zinc/69/96/59/590699659.db2.gz MTBHHSCQVILAHQ-GFCCVEGCSA-N 2 0 330.423 1.547 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)C1 ZINC000891954126 590704924 /nfs/dbraw/zinc/70/49/24/590704924.db2.gz CQCRYROWMXEPCM-UPJWGTAASA-N 2 0 336.402 1.497 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990535 590731399 /nfs/dbraw/zinc/73/13/99/590731399.db2.gz VYIVJOJLRHDRPT-JKSUJKDBSA-N 2 0 331.464 1.640 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000892028593 590757650 /nfs/dbraw/zinc/75/76/50/590757650.db2.gz RULGGCJHTWJMFK-IPMKNSEASA-N 2 0 342.487 1.887 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049755 590772673 /nfs/dbraw/zinc/77/26/73/590772673.db2.gz YNLWJZMFNHMBCP-FHLIZLRMSA-N 2 0 330.476 1.791 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052640 590773364 /nfs/dbraw/zinc/77/33/64/590773364.db2.gz DPLDQFBINJLMGL-NVXWUHKLSA-N 2 0 330.476 1.935 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000892059964 590778740 /nfs/dbraw/zinc/77/87/40/590778740.db2.gz KWBRHISZNOGITD-IEBWSBKVSA-N 2 0 346.475 1.741 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)c1 ZINC000892079641 590788113 /nfs/dbraw/zinc/78/81/13/590788113.db2.gz JBPCNSQRGAXVFP-XYPHTWIQSA-N 2 0 332.448 1.349 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000892082077 590789439 /nfs/dbraw/zinc/78/94/39/590789439.db2.gz GUWZDODPTLBXLF-NVXWUHKLSA-N 2 0 332.448 1.493 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000892087689 590792208 /nfs/dbraw/zinc/79/22/08/590792208.db2.gz HUYHBCLMWDRXKA-HZPDHXFCSA-N 2 0 326.485 1.256 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000892095093 590797067 /nfs/dbraw/zinc/79/70/67/590797067.db2.gz CZGBAJHQCGXELU-LXZKKBNFSA-N 2 0 332.448 1.492 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCC2=CC[NH2+]CC2)c1 ZINC000892100219 590798779 /nfs/dbraw/zinc/79/87/79/590798779.db2.gz GZFJZRLHKKBYGT-GOSISDBHSA-N 2 0 344.459 1.661 20 0 EDADRP COCC1(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CC[NH2+]CC1 ZINC000892113698 590806221 /nfs/dbraw/zinc/80/62/21/590806221.db2.gz QTVFWOBBDYKRES-SFHVURJKSA-N 2 0 340.512 1.409 20 0 EDADRP c1nnc2cccc(NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)n12 ZINC000892160627 590831550 /nfs/dbraw/zinc/83/15/50/590831550.db2.gz ANUSSDCCSGEFGD-UHFFFAOYSA-N 2 0 337.431 1.749 20 0 EDADRP Cc1nc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc(=O)[nH]1 ZINC000892160642 590832587 /nfs/dbraw/zinc/83/25/87/590832587.db2.gz BACSJFXXVYLEFE-UHFFFAOYSA-N 2 0 328.420 1.510 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000890898500 590837944 /nfs/dbraw/zinc/83/79/44/590837944.db2.gz WQPBBXYZWKRJTK-ADKAHSJRSA-N 2 0 339.524 1.970 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000892168591 590839590 /nfs/dbraw/zinc/83/95/90/590839590.db2.gz JTXCUXWHCZIXCL-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000892184027 590852349 /nfs/dbraw/zinc/85/23/49/590852349.db2.gz NTCDNIQXNLZBBW-DJIMGWMZSA-N 2 0 338.496 1.304 20 0 EDADRP CN(C(=O)NCC[NH+](C)Cc1ccc(F)cc1)[C@@H]1CCC[N@H+](C)C1 ZINC000893431661 590866476 /nfs/dbraw/zinc/86/64/76/590866476.db2.gz OAPRLMPXXSNTFP-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(C[NH3+])cc1)C2 ZINC000892210516 590866612 /nfs/dbraw/zinc/86/66/12/590866612.db2.gz MQZGMJSRQOUYOS-UHFFFAOYSA-N 2 0 331.445 1.328 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892226474 590874736 /nfs/dbraw/zinc/87/47/36/590874736.db2.gz HSRXJEKMMVDBKK-QGZVFWFLSA-N 2 0 346.475 1.364 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000892236500 590880519 /nfs/dbraw/zinc/88/05/19/590880519.db2.gz NXWZUTHQPYLMSK-UWWQBHOKSA-N 2 0 346.475 1.691 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892255819 590888861 /nfs/dbraw/zinc/88/88/61/590888861.db2.gz VFQWIPWOZYEKQR-YVSFHVDLSA-N 2 0 332.423 1.417 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000892255299 590889899 /nfs/dbraw/zinc/88/98/99/590889899.db2.gz DUDXBSWFFDKQLA-XLAORIBOSA-N 2 0 346.450 1.807 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000892321996 590944148 /nfs/dbraw/zinc/94/41/48/590944148.db2.gz GXVZHMWCOKXVDO-CGTJXYLNSA-N 2 0 330.476 1.887 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)C1 ZINC000892333583 590961035 /nfs/dbraw/zinc/96/10/35/590961035.db2.gz FIFWZJCQBSFHHQ-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892336349 590964283 /nfs/dbraw/zinc/96/42/83/590964283.db2.gz GGLMHORAEXGNRP-UHFFFAOYSA-N 2 0 330.476 1.960 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N(CC[NH3+])CCc2ccccc2)[NH2+]C1 ZINC000892384292 591003898 /nfs/dbraw/zinc/00/38/98/591003898.db2.gz MBONSZJJEMEQMP-KRWDZBQOSA-N 2 0 332.492 1.978 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892400730 591011545 /nfs/dbraw/zinc/01/15/45/591011545.db2.gz UNUVUZWAFCDNBS-MSOLQXFVSA-N 2 0 332.492 1.928 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892401092 591012497 /nfs/dbraw/zinc/01/24/97/591012497.db2.gz YUZOEHWREAADIM-MSOLQXFVSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH+]1CCC[C@@H](CNc2nccc(NC[C@H]3CCC[N@@H+](C)C3)n2)C1 ZINC000892421896 591022079 /nfs/dbraw/zinc/02/20/79/591022079.db2.gz QHDIWQRBQSLQJW-CVEARBPZSA-N 3 0 332.496 1.984 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000892454876 591033478 /nfs/dbraw/zinc/03/34/78/591033478.db2.gz ZLVBSIPIWLONGL-PQUAAJSLSA-N 2 0 336.480 1.153 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892477498 591040976 /nfs/dbraw/zinc/04/09/76/591040976.db2.gz CSWYQUIEQLPWPW-HUUCEWRRSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000891509763 591099013 /nfs/dbraw/zinc/09/90/13/591099013.db2.gz VVODLTFJMDFYEL-QGZVFWFLSA-N 2 0 332.492 1.978 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000891536061 591111493 /nfs/dbraw/zinc/11/14/93/591111493.db2.gz CBOZETMPDVYEGN-ZWKOTPCHSA-N 2 0 348.491 1.357 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891538125 591113317 /nfs/dbraw/zinc/11/33/17/591113317.db2.gz QFKFTJPKXTWEGS-FUHWJXTLSA-N 2 0 338.496 1.272 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000893872408 591123648 /nfs/dbraw/zinc/12/36/48/591123648.db2.gz KMGGMFLFBUBWKS-PYUISTEWSA-N 2 0 331.460 1.851 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000891563922 591127276 /nfs/dbraw/zinc/12/72/76/591127276.db2.gz DXYWLCPKYQLAHW-SUNKGSAMSA-N 2 0 326.391 1.699 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@H](C)C1 ZINC000891564167 591127318 /nfs/dbraw/zinc/12/73/18/591127318.db2.gz LOQUOFLNRNUKBW-PBHICJAKSA-N 2 0 349.479 1.600 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH3+])[C@H](C)C1 ZINC000891565644 591127932 /nfs/dbraw/zinc/12/79/32/591127932.db2.gz QUTNLHQLTRDALE-IXDOHACOSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)CCSC1 ZINC000891639019 591162294 /nfs/dbraw/zinc/16/22/94/591162294.db2.gz OWYYXWBBNYEUTO-IRXDYDNUSA-N 2 0 342.553 1.830 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892764682 591166028 /nfs/dbraw/zinc/16/60/28/591166028.db2.gz WIVICPFZYKUBPV-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000892789741 591179833 /nfs/dbraw/zinc/17/98/33/591179833.db2.gz SNPMFGCUHOMBES-IEBWSBKVSA-N 2 0 328.460 1.486 20 0 EDADRP C[C@H]([C@H](C)NC(=O)NCC[N@@H+]1CCC(C)(C)C1)N1CCOCC1 ZINC000892837714 591200450 /nfs/dbraw/zinc/20/04/50/591200450.db2.gz FSGBIEGLOSVVOK-LSDHHAIUSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](NC(=O)NCc1cccc2c1CC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000891765723 591216637 /nfs/dbraw/zinc/21/66/37/591216637.db2.gz PLJHRVAQZJQOIV-AWEZNQCLSA-N 2 0 328.460 1.782 20 0 EDADRP Cc1cc(N)nc(NCCC[NH+]2CCN(c3ccccc3)CC2)[nH+]1 ZINC000891772734 591219365 /nfs/dbraw/zinc/21/93/65/591219365.db2.gz RPUFNDOZVLCCHX-UHFFFAOYSA-N 2 0 326.448 1.991 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000893014825 591254493 /nfs/dbraw/zinc/25/44/93/591254493.db2.gz ZWNDBSJHVLQIIT-KRWDZBQOSA-N 2 0 340.512 1.707 20 0 EDADRP COC(=O)[C@@H]1[C@@H](CNc2c[nH+]ccc2N2CC[NH+](C)CC2)C1(F)F ZINC000894366002 591290956 /nfs/dbraw/zinc/29/09/56/591290956.db2.gz IXBMLAFCTHIECD-RISCZKNCSA-N 2 0 340.374 1.300 20 0 EDADRP C[C@H](O)CNc1cc(N[C@@H](CC[NH+](C)C)c2cccnc2)ncn1 ZINC000895892425 591298471 /nfs/dbraw/zinc/29/84/71/591298471.db2.gz PNCUCHVSJUYILY-ZFWWWQNUSA-N 2 0 330.436 1.769 20 0 EDADRP C[C@H](NC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000897419562 591379261 /nfs/dbraw/zinc/37/92/61/591379261.db2.gz DBDULNWXICFCNN-QGTPRVQTSA-N 2 0 331.460 1.515 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000896257396 591399902 /nfs/dbraw/zinc/39/99/02/591399902.db2.gz DRVWPANBYIFRCJ-RCCFBDPRSA-N 2 0 331.460 1.516 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000897437019 591427282 /nfs/dbraw/zinc/42/72/82/591427282.db2.gz FNXKKEYOTXAIBZ-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000896427930 591463941 /nfs/dbraw/zinc/46/39/41/591463941.db2.gz ISIXYMZKJPMSHI-HOTGVXAUSA-N 2 0 327.538 1.391 20 0 EDADRP COCC[N@@H+]1CC[C@@H](Nc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)C1 ZINC000894922367 591477642 /nfs/dbraw/zinc/47/76/42/591477642.db2.gz RGVDPOOZRPHSRN-OAHLLOKOSA-N 2 0 348.447 1.003 20 0 EDADRP CCC(CC)[NH2+]CCNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896609443 591552078 /nfs/dbraw/zinc/55/20/78/591552078.db2.gz NUWVIVNZTIAFCV-CABCVRRESA-N 2 0 328.526 1.644 20 0 EDADRP CC[N@H+](CCC(N)=O)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000896714560 591591787 /nfs/dbraw/zinc/59/17/87/591591787.db2.gz GLJUSTUWLQEQOF-UHFFFAOYSA-N 2 0 332.492 1.914 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CCC(C)(C)CO1 ZINC000897114046 591743819 /nfs/dbraw/zinc/74/38/19/591743819.db2.gz PUXVCOMLWLPLSK-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP COCC[N@H+](C[C@@H]1[C@@H](C(=O)OC)C1(F)F)CC1CC[NH+](C)CC1 ZINC000895417330 591750555 /nfs/dbraw/zinc/75/05/55/591750555.db2.gz YDMADJNGZODMFU-KGLIPLIRSA-N 2 0 334.407 1.331 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895424051 591756596 /nfs/dbraw/zinc/75/65/96/591756596.db2.gz LGDMVWXIPXWIHW-JKSUJKDBSA-N 2 0 333.432 1.253 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C2CC2)O1 ZINC000897208780 591768805 /nfs/dbraw/zinc/76/88/05/591768805.db2.gz DNNJMNXYGXPLOY-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)c1ccc(C[NH+]2CCCCC2)o1 ZINC000898067305 591771830 /nfs/dbraw/zinc/77/18/30/591771830.db2.gz CSXJPGDXOSNBML-SFHVURJKSA-N 2 0 337.464 1.698 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000899958517 591844257 /nfs/dbraw/zinc/84/42/57/591844257.db2.gz VBZAHZGKJXLMRE-APWZRJJASA-N 2 0 349.475 1.770 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000900021472 591871789 /nfs/dbraw/zinc/87/17/89/591871789.db2.gz NIKVQZNGXPODDK-QGZVFWFLSA-N 2 0 341.459 1.449 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)N[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000900179576 591930316 /nfs/dbraw/zinc/93/03/16/591930316.db2.gz MWYKUOSWDUJYGE-UYAOXDASSA-N 2 0 345.487 1.614 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)[NH+]1CCC(C)CC1 ZINC000900190228 591934809 /nfs/dbraw/zinc/93/48/09/591934809.db2.gz DETZYTXUGFMMIA-PKOBYXMFSA-N 2 0 339.524 1.706 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000900203673 591940692 /nfs/dbraw/zinc/94/06/92/591940692.db2.gz FKBVTHLTIJEPNB-MSOLQXFVSA-N 2 0 338.540 1.639 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000900208853 591943167 /nfs/dbraw/zinc/94/31/67/591943167.db2.gz OBEUOHJOGHMIMR-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900216190 591945651 /nfs/dbraw/zinc/94/56/51/591945651.db2.gz RTDIARSRAVWZSD-AEFFLSMTSA-N 2 0 325.497 1.462 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000902345671 591977183 /nfs/dbraw/zinc/97/71/83/591977183.db2.gz DPSOWIGAYBTWTR-AWEZNQCLSA-N 2 0 329.510 1.311 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccn3)C2=O)C1 ZINC000902373808 591981864 /nfs/dbraw/zinc/98/18/64/591981864.db2.gz FTDSHALGARVEOJ-DOTOQJQBSA-N 2 0 330.476 1.940 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900335582 591987322 /nfs/dbraw/zinc/98/73/22/591987322.db2.gz YWZNVOBZTBJRTC-YVWKXTFCSA-N 2 0 345.487 1.785 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902399577 591990591 /nfs/dbraw/zinc/99/05/91/591990591.db2.gz USUMAQUATOWYBE-HNNXBMFYSA-N 2 0 349.447 1.664 20 0 EDADRP CC[C@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455020 592022201 /nfs/dbraw/zinc/02/22/01/592022201.db2.gz LYYJQSMGEXRODF-RDJZCZTQSA-N 2 0 334.464 1.117 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)cc1 ZINC000900565048 592054116 /nfs/dbraw/zinc/05/41/16/592054116.db2.gz DZLOPANLSNDJBV-QFBILLFUSA-N 2 0 349.475 1.088 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900692910 592097174 /nfs/dbraw/zinc/09/71/74/592097174.db2.gz LHNMHLSLJALZCZ-KRWDZBQOSA-N 2 0 326.529 1.495 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903099381 592120465 /nfs/dbraw/zinc/12/04/65/592120465.db2.gz GCGRIVIDAYBXHG-CYBMUJFWSA-N 2 0 327.469 1.479 20 0 EDADRP COC(=O)N1CCC([NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)CC1 ZINC000903117573 592123676 /nfs/dbraw/zinc/12/36/76/592123676.db2.gz VCASXRBFYADKIO-XLMAVXFVSA-N 2 0 339.480 1.287 20 0 EDADRP Cn1nccc1[C@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCC(=O)N1C ZINC000903124850 592124670 /nfs/dbraw/zinc/12/46/70/592124670.db2.gz VXWXTVFAQPUANI-CKEIUWERSA-N 2 0 333.480 1.544 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903461067 592171820 /nfs/dbraw/zinc/17/18/20/592171820.db2.gz OGWAUYQDZOONFK-ZIAGYGMSSA-N 2 0 331.416 1.111 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900973125 592182264 /nfs/dbraw/zinc/18/22/64/592182264.db2.gz FZYXCWAMSLFUCI-DLVXIWMQSA-N 2 0 345.487 1.611 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000900978660 592184666 /nfs/dbraw/zinc/18/46/66/592184666.db2.gz KERSYTFRMKZVAC-AEFFLSMTSA-N 2 0 325.497 1.316 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCOCc1ccc(OC)cc1)C2 ZINC000903492935 592185705 /nfs/dbraw/zinc/18/57/05/592185705.db2.gz MBSIMFZIIHFVGI-FCEWJHQRSA-N 2 0 348.443 1.424 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N(C)CCOc2ccccc2F)C[C@H]1CC[NH3+] ZINC000903496841 592188519 /nfs/dbraw/zinc/18/85/19/592188519.db2.gz GWVZROQWMKVONE-HUUCEWRRSA-N 2 0 337.439 1.580 20 0 EDADRP NC(=O)[C@H](c1ccccc1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903509400 592190010 /nfs/dbraw/zinc/19/00/10/592190010.db2.gz HYZVKOKRUYLIRJ-KSZLIROESA-N 2 0 328.460 1.114 20 0 EDADRP C[C@H]1CCCC[C@H]1OCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000903521885 592196705 /nfs/dbraw/zinc/19/67/05/592196705.db2.gz GQNSVQJIEPIXBF-WFEDQXDTSA-N 2 0 337.508 1.818 20 0 EDADRP CCOc1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1 ZINC000903506952 592198726 /nfs/dbraw/zinc/19/87/26/592198726.db2.gz GTTBPIOCEQEEEV-HDICACEKSA-N 2 0 330.476 1.881 20 0 EDADRP CC(C)Cn1ncnc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903507014 592198749 /nfs/dbraw/zinc/19/87/49/592198749.db2.gz JIAYSLPHHVRWPI-CALCHBBNSA-N 2 0 332.496 1.335 20 0 EDADRP CC(C)(C)CCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903562811 592210553 /nfs/dbraw/zinc/21/05/53/592210553.db2.gz VGJRFDXDRYWEBJ-IYBDPMFKSA-N 2 0 343.537 1.653 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906646643 592231961 /nfs/dbraw/zinc/23/19/61/592231961.db2.gz VSIOESZYDCKAKB-UHFFFAOYSA-N 2 0 334.464 1.665 20 0 EDADRP [NH3+]CCN1CCC([NH2+]C[C@H](c2ccccc2)N2CCOCC2)CC1 ZINC000904361180 592238146 /nfs/dbraw/zinc/23/81/46/592238146.db2.gz XBXNNFIHQWVTGN-LJQANCHMSA-N 2 0 332.492 1.073 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(N3CC[NH2+]CC3)o2)CC1 ZINC000904371317 592240184 /nfs/dbraw/zinc/24/01/84/592240184.db2.gz MJMLXDBPCUXAGY-MJGOQNOKSA-N 3 0 348.491 1.408 20 0 EDADRP Cn1c(CN2CC[NH2+]CC[NH2+]CC2)nc2cc(C(F)(F)F)ccc21 ZINC000904398717 592252333 /nfs/dbraw/zinc/25/23/33/592252333.db2.gz RPLBTDMRNZBIQC-UHFFFAOYSA-N 2 0 341.381 1.587 20 0 EDADRP CCc1noc([C@@H]2CC[C@H]([NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000904428446 592253563 /nfs/dbraw/zinc/25/35/63/592253563.db2.gz LGFSVHTTZUGITA-RDBSUJKOSA-N 2 0 345.451 1.574 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000908036959 592283490 /nfs/dbraw/zinc/28/34/90/592283490.db2.gz RTBLWRVMUHJQLE-QZTJIDSGSA-N 2 0 337.508 1.679 20 0 EDADRP NC(=O)c1ccc(C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C2CC2)cc1 ZINC000903725441 592285266 /nfs/dbraw/zinc/28/52/66/592285266.db2.gz ZQNGFPKBBZMGRV-GOSISDBHSA-N 2 0 343.471 1.909 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)C1CCCCC1 ZINC000903726962 592286353 /nfs/dbraw/zinc/28/63/53/592286353.db2.gz PPXAWFZKIYVOPT-ICSRJNTNSA-N 2 0 349.519 1.916 20 0 EDADRP c1csc(CN(C[C@@H]2C[C@@H]3COC[C@@H]3O2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000903745507 592292185 /nfs/dbraw/zinc/29/21/85/592292185.db2.gz JDFLMUUYTMFIJY-UGUYLWEFSA-N 2 0 349.500 1.891 20 0 EDADRP CC(C)COC(=O)N1CCC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751615 592295443 /nfs/dbraw/zinc/29/54/43/592295443.db2.gz HKMSFTXPSRRRFF-SJLPKXTDSA-N 2 0 339.480 1.555 20 0 EDADRP Oc1cccc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903752778 592296524 /nfs/dbraw/zinc/29/65/24/592296524.db2.gz WYSDXXFTKLKIBT-SFHVURJKSA-N 2 0 331.460 1.673 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742679 592303959 /nfs/dbraw/zinc/30/39/59/592303959.db2.gz ZIRUANCJNITMPO-ARFHVFGLSA-N 2 0 349.441 1.961 20 0 EDADRP CC(C)(C[NH3+])C1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000903790486 592315705 /nfs/dbraw/zinc/31/57/05/592315705.db2.gz KSOCEXYFHGTGRE-AWEZNQCLSA-N 2 0 331.526 1.355 20 0 EDADRP CC[NH+](CC)CCNS(=O)(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000904767881 592325418 /nfs/dbraw/zinc/32/54/18/592325418.db2.gz XAXVYMMMMRTRSY-UHFFFAOYSA-N 2 0 348.472 1.781 20 0 EDADRP [NH3+]C[C@@]12CC[C@H]1CCCN2CCC(=O)NC(=O)NCc1ccccc1 ZINC000903799750 592326756 /nfs/dbraw/zinc/32/67/56/592326756.db2.gz SERPGODVBHVZNQ-APWZRJJASA-N 2 0 344.459 1.606 20 0 EDADRP CCN(CC)C(=O)C1CC[NH+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903889413 592350934 /nfs/dbraw/zinc/35/09/34/592350934.db2.gz RSTDYZAOOGTWDG-MRXNPFEDSA-N 2 0 349.523 1.426 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(Nc3cccnn3)CC2)cnn1C ZINC000903890866 592352521 /nfs/dbraw/zinc/35/25/21/592352521.db2.gz GZTYUKMZIWVDHC-OAHLLOKOSA-N 2 0 343.479 1.212 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)CN1CCC[C@H](C(=O)OCC)C1 ZINC000908171041 592359291 /nfs/dbraw/zinc/35/92/91/592359291.db2.gz LTNYKFRUFJZJIC-HOTGVXAUSA-N 2 0 339.480 1.252 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CNc1ccc2c(c1)C[NH2+]CCO2 ZINC000903918673 592376491 /nfs/dbraw/zinc/37/64/91/592376491.db2.gz FCJUYVATEWCAMA-HNNXBMFYSA-N 2 0 328.420 1.297 20 0 EDADRP C[C@H](COc1cccc(F)c1)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920268 592376934 /nfs/dbraw/zinc/37/69/34/592376934.db2.gz HYLYWZZFJBWDAL-UKRRQHHQSA-N 2 0 333.411 1.899 20 0 EDADRP C[C@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903937741 592387265 /nfs/dbraw/zinc/38/72/65/592387265.db2.gz QNTSSBUCRHHLAI-MSOLQXFVSA-N 2 0 344.503 1.563 20 0 EDADRP CC(C)([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(F)cc1F ZINC000903959784 592390735 /nfs/dbraw/zinc/39/07/35/592390735.db2.gz OGGFIHLVKRXQJV-LBPRGKRZSA-N 2 0 325.403 1.987 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905089801 592392853 /nfs/dbraw/zinc/39/28/53/592392853.db2.gz REOWCBSWDIXGDK-RTBURBONSA-N 2 0 336.476 1.562 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905089798 592392935 /nfs/dbraw/zinc/39/29/35/592392935.db2.gz REOWCBSWDIXGDK-MOPGFXCFSA-N 2 0 336.476 1.562 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc(-c3ccccc3C[NH3+])n2)CC1 ZINC000904111862 592429155 /nfs/dbraw/zinc/42/91/55/592429155.db2.gz MIOCTVXOURJKNW-UHFFFAOYSA-N 2 0 343.431 1.290 20 0 EDADRP CCC(CC)Nc1cc[nH+]cc1NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000908327806 592462476 /nfs/dbraw/zinc/46/24/76/592462476.db2.gz GGQPVMBNSBZMJL-GOSISDBHSA-N 2 0 334.464 1.889 20 0 EDADRP COc1ccncc1CNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000908376175 592472754 /nfs/dbraw/zinc/47/27/54/592472754.db2.gz QNYPFPMJQBSLQM-UHFFFAOYSA-N 2 0 333.432 1.597 20 0 EDADRP C[C@]1(CN2CC[NH+](CCCOCC(F)(F)F)CC2)CCC[NH2+]C1 ZINC000904314210 592474714 /nfs/dbraw/zinc/47/47/14/592474714.db2.gz UANPMYOUPPLQEW-HNNXBMFYSA-N 2 0 337.430 1.963 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905367170 592517112 /nfs/dbraw/zinc/51/71/12/592517112.db2.gz JFROFQKNAAZTOI-OALUTQOASA-N 2 0 348.487 1.399 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)C1 ZINC000905398242 592520448 /nfs/dbraw/zinc/52/04/48/592520448.db2.gz HLDAICVBFKZSJE-BZSNNMDCSA-N 2 0 336.476 1.296 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000907152026 592538654 /nfs/dbraw/zinc/53/86/54/592538654.db2.gz XLORPXURWHGKJM-QZTJIDSGSA-N 2 0 330.476 1.041 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)COCC(C)C)C2)[C@@H]1C(C)C ZINC000905503692 592546671 /nfs/dbraw/zinc/54/66/71/592546671.db2.gz SHQZUTKLPOATLW-QQXKLLMISA-N 2 0 342.524 1.479 20 0 EDADRP Cc1[nH+]ccc(N2CCC[C@H](C(=O)NCC[NH3+])C2)c1Br ZINC000905627076 592590071 /nfs/dbraw/zinc/59/00/71/592590071.db2.gz YVZBWZSWAVIPLY-NSHDSACASA-N 2 0 341.253 1.444 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2c2cc(NC[C@H](C)O)ncn2)cc1 ZINC000905653089 592597517 /nfs/dbraw/zinc/59/75/17/592597517.db2.gz JCATVXFYKHLCLB-XJKSGUPXSA-N 2 0 343.431 1.429 20 0 EDADRP Cc1[nH+]ccc(N2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)c1Br ZINC000905640477 592602584 /nfs/dbraw/zinc/60/25/84/592602584.db2.gz AAWIYVQNACGZOT-NWDGAFQWSA-N 2 0 336.237 1.817 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000905669425 592607257 /nfs/dbraw/zinc/60/72/57/592607257.db2.gz XNZMTJFAIGPFGN-ZACQAIPSSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907567428 592712950 /nfs/dbraw/zinc/71/29/50/592712950.db2.gz OLXUNBSJTXJUSS-HNNXBMFYSA-N 2 0 348.516 1.828 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)C[C@H](C)O)CC2)C1 ZINC000907579046 592719859 /nfs/dbraw/zinc/71/98/59/592719859.db2.gz PBZYOLJHOMYZDS-HOTGVXAUSA-N 2 0 325.497 1.412 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C2(n3cccn3)CC[NH2+]CC2)[C@H](C)C1 ZINC000906217804 592760201 /nfs/dbraw/zinc/76/02/01/592760201.db2.gz WQRCMEWSXMRSKF-CVEARBPZSA-N 2 0 333.480 1.151 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)C1(n2cccn2)CC[NH2+]CC1)c1ccccc1 ZINC000906219052 592760546 /nfs/dbraw/zinc/76/05/46/592760546.db2.gz QCMOVGSYKSYOJB-QGZVFWFLSA-N 2 0 341.459 1.558 20 0 EDADRP CN(Cc1cn(Cc2ncon2)nn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000906290635 592781281 /nfs/dbraw/zinc/78/12/81/592781281.db2.gz QOOZCBAERFJICM-UHFFFAOYSA-N 2 0 341.419 1.403 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C2CCC([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC000910269584 592814987 /nfs/dbraw/zinc/81/49/87/592814987.db2.gz KOYAPVGEZNMGFF-AOCRQIFASA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)CC(C)C ZINC000911069318 592919330 /nfs/dbraw/zinc/91/93/30/592919330.db2.gz RPUFLOWAPGXPQW-OWCLPIDISA-N 2 0 340.512 1.103 20 0 EDADRP [NH3+]CCCNC(=O)C1(c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000911648668 592976220 /nfs/dbraw/zinc/97/62/20/592976220.db2.gz SWEBWZHJUWVFBX-UHFFFAOYSA-N 2 0 340.265 1.535 20 0 EDADRP C[C@H](NC(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2)[C@H]1CCC[NH2+]C1 ZINC000911725648 592989029 /nfs/dbraw/zinc/98/90/29/592989029.db2.gz OAEQEOZABMTSFT-TUKIKUTGSA-N 2 0 330.432 1.017 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000911726663 592989459 /nfs/dbraw/zinc/98/94/59/592989459.db2.gz FSRPBRYQOFXJIP-UHFFFAOYSA-N 2 0 333.476 1.946 20 0 EDADRP O=C(OC1CC[NH2+]CC1)c1cccc(NC(=O)[C@]23C[C@H]2CCC[NH2+]3)c1 ZINC000911734715 592992466 /nfs/dbraw/zinc/99/24/66/592992466.db2.gz BHOBGVVNRCQAKM-KUHUBIRLSA-N 2 0 343.427 1.676 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911774727 593002553 /nfs/dbraw/zinc/00/25/53/593002553.db2.gz MFXAFEFKPNUPJA-KRWDZBQOSA-N 2 0 333.476 1.628 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000912001237 593047694 /nfs/dbraw/zinc/04/76/94/593047694.db2.gz BAJGTYXBDJMLMZ-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000912296312 593083810 /nfs/dbraw/zinc/08/38/10/593083810.db2.gz LIVDLJNPDWLIEM-AQFXKWCLSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@]2(C)C[NH+]3CCC2CC3)CC1 ZINC000912373481 593091168 /nfs/dbraw/zinc/09/11/68/593091168.db2.gz DSMZOCSHVHSRSZ-LJQANCHMSA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@@H](C(=O)N1CCC(CO)([NH2+]CC(C)C)CC1)[NH+](CC)CC ZINC000912587579 593106580 /nfs/dbraw/zinc/10/65/80/593106580.db2.gz CBCIRMMTJJSPQO-INIZCTEOSA-N 2 0 327.513 1.706 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2ccccc2)n1 ZINC000784456299 593139414 /nfs/dbraw/zinc/13/94/14/593139414.db2.gz MFUJJMGRYMVBHZ-UHFFFAOYSA-N 2 0 345.451 1.224 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CN3C(=O)C(C)(C)[C@H]3[C@@H]3CCCO3)C2)C1 ZINC000840087593 593156820 /nfs/dbraw/zinc/15/68/20/593156820.db2.gz KTJQCRZSYPXNTA-FCEWJHQRSA-N 2 0 335.492 1.778 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCn2ccnc21 ZINC000838638093 593199586 /nfs/dbraw/zinc/19/95/86/593199586.db2.gz IISKNDOBSDFHFF-JKSUJKDBSA-N 2 0 348.495 1.385 20 0 EDADRP C[C@@H]1CN(C(=O)CCN2CCOCC2)CCN1Cc1ccccc1 ZINC000839853776 593199751 /nfs/dbraw/zinc/19/97/51/593199751.db2.gz LMYIXRBWWZMWQU-QGZVFWFLSA-N 2 0 331.460 1.442 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838851664 593225270 /nfs/dbraw/zinc/22/52/70/593225270.db2.gz KJLSJMAWEWACTM-INIZCTEOSA-N 2 0 325.497 1.173 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]CC(C)(C)[C@H]2COCC23OCCO3)CC1 ZINC000839175426 593271060 /nfs/dbraw/zinc/27/10/60/593271060.db2.gz WKUXJLADGHXKKE-MRXNPFEDSA-N 2 0 326.481 1.865 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=S)NC2CC[NH+](C)CC2)CCCO1 ZINC000761547089 593417640 /nfs/dbraw/zinc/41/76/40/593417640.db2.gz GJDDNAVFXJYSFM-AWEZNQCLSA-N 2 0 328.526 1.046 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817893781 593645954 /nfs/dbraw/zinc/64/59/54/593645954.db2.gz VRFKIMVQJAJIIO-GDBMZVCRSA-N 2 0 325.478 1.084 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@@H](O)c2ccccc2F)CC1 ZINC000818980732 593731965 /nfs/dbraw/zinc/73/19/65/593731965.db2.gz JKEFOPIFUVSPKB-GOSISDBHSA-N 2 0 344.434 1.796 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000819059040 593736451 /nfs/dbraw/zinc/73/64/51/593736451.db2.gz UAYKOBLCKZNIEZ-CXAGYDPISA-N 2 0 343.874 1.986 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1F)N1CC[NH+](C)CC1 ZINC000819061267 593736660 /nfs/dbraw/zinc/73/66/60/593736660.db2.gz KJLKPIGWTWDZCT-QZTJIDSGSA-N 2 0 341.446 1.860 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000819268507 593747670 /nfs/dbraw/zinc/74/76/70/593747670.db2.gz RQOANVBKZFPHTE-MRXNPFEDSA-N 2 0 341.496 1.726 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](CCOc3ccc(-c4nn[nH]n4)cc3)CC[C@@H]21 ZINC000821625078 593886308 /nfs/dbraw/zinc/88/63/08/593886308.db2.gz FCZPBSJAGWHPRE-WBVHZDCISA-N 2 0 342.447 1.662 20 0 EDADRP COCC[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CCC[N@H+]1CCOC)C2 ZINC000820808853 593895139 /nfs/dbraw/zinc/89/51/39/593895139.db2.gz PBMPADVPWKFFOI-FBVQUNGASA-N 2 0 325.497 1.329 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@H]4C[C@]45CC[NH2+]C5)n3)c2)CC1 ZINC000822980897 594131445 /nfs/dbraw/zinc/13/14/45/594131445.db2.gz QHIZQIJXKKAPEK-KDOFPFPSSA-N 2 0 340.431 1.350 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc(C(C)(C)C)n2)C[C@H]1C[NH+](C)C ZINC000825148197 594136544 /nfs/dbraw/zinc/13/65/44/594136544.db2.gz VTZSROMEGFSODB-ZIAGYGMSSA-N 2 0 336.480 1.784 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC000823244206 594174655 /nfs/dbraw/zinc/17/46/55/594174655.db2.gz TVNZYAWVBUJLBA-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP c1ccc(C[N@@H+]2CCC[C@@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823315529 594184740 /nfs/dbraw/zinc/18/47/40/594184740.db2.gz MYODNGIJQOGKPD-MRXNPFEDSA-N 2 0 327.432 1.859 20 0 EDADRP [NH3+]CCCCCCC(=O)N1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000825627262 594208757 /nfs/dbraw/zinc/20/87/57/594208757.db2.gz IGODDJWTLVFXIC-JKSUJKDBSA-N 2 0 338.496 1.002 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cccc(-c2nn[nH]n2)c1 ZINC000825851320 594262631 /nfs/dbraw/zinc/26/26/31/594262631.db2.gz WDRPNXVTWOIOIG-IKGGRYGDSA-N 2 0 342.447 1.550 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCON2C(=O)c3ccccc3C2=O)C1 ZINC000827991814 594316430 /nfs/dbraw/zinc/31/64/30/594316430.db2.gz XDMFBLUOQCQFMQ-OAHLLOKOSA-N 2 0 345.443 1.878 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)C[C@@H]([NH3+])c1cc(C)nc(Cl)c1 ZINC000830470141 594401827 /nfs/dbraw/zinc/40/18/27/594401827.db2.gz BINOFSHFFXJSOO-CQSZACIVSA-N 2 0 342.871 1.518 20 0 EDADRP COC(=O)Cc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000830647247 594447057 /nfs/dbraw/zinc/44/70/57/594447057.db2.gz HYIDJKGFSVNPDH-UHFFFAOYSA-N 2 0 332.444 1.699 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CCCCC[NH3+])cc2)CC1 ZINC000827080591 594636201 /nfs/dbraw/zinc/63/62/01/594636201.db2.gz GEMNMLFBIWFNNQ-UHFFFAOYSA-N 2 0 332.492 1.569 20 0 EDADRP CCO[C@@H](CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1)C[NH+](C)C ZINC000831743939 594698574 /nfs/dbraw/zinc/69/85/74/594698574.db2.gz MCSUKVLCRFLRRB-SFHVURJKSA-N 2 0 342.443 1.944 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)NCC[N@@H+]2CCCOCC2)cc(Cl)n1 ZINC000832002551 594718428 /nfs/dbraw/zinc/71/84/28/594718428.db2.gz OQAPCOIQXZQBCI-AWEZNQCLSA-N 2 0 340.855 1.272 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000841068235 594846674 /nfs/dbraw/zinc/84/66/74/594846674.db2.gz LLCZOLVTBVBISR-ZIAGYGMSSA-N 2 0 348.434 1.959 20 0 EDADRP C[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)[NH+]1CCCCC1 ZINC000841320991 594884329 /nfs/dbraw/zinc/88/43/29/594884329.db2.gz CMTBKRKIKPKKPY-ZFWWWQNUSA-N 2 0 331.464 1.894 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCc2ccc(CC[NH3+])cc2)C[C@H](C)O1 ZINC000841676589 594934825 /nfs/dbraw/zinc/93/48/25/594934825.db2.gz XJXXRDTZDLFPPO-HOTGVXAUSA-N 2 0 348.491 1.486 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000841851494 594965295 /nfs/dbraw/zinc/96/52/95/594965295.db2.gz LLICTCNIXKXEKO-YQVWRLOYSA-N 2 0 333.451 1.887 20 0 EDADRP C[C@]1(CNC(=O)N2CCC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898572 594976877 /nfs/dbraw/zinc/97/68/77/594976877.db2.gz OAZPIDGFOZUVHO-LJQANCHMSA-N 2 0 330.476 1.904 20 0 EDADRP C[C@H]1C[C@H](N2CCOCC2)CN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932924 594984741 /nfs/dbraw/zinc/98/47/41/594984741.db2.gz ZAIMNVNJZWQFLY-YJBOKZPZSA-N 2 0 346.475 1.192 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000843333063 595077490 /nfs/dbraw/zinc/07/74/90/595077490.db2.gz UMUTXOLZXMKWNO-BVUBDWEXSA-N 2 0 329.400 1.284 20 0 EDADRP CCOC(=O)CN(C(=O)C[N@H+](C)C1CCC([NH3+])CC1)c1ccccc1 ZINC000843355646 595085616 /nfs/dbraw/zinc/08/56/16/595085616.db2.gz YYMSYNJYYZTVBW-UHFFFAOYSA-N 2 0 347.459 1.784 20 0 EDADRP [NH3+]C1(c2noc([C@]3(O)CC[N@H+](Cc4ccccc4)C3)n2)CCCC1 ZINC000842593194 595134340 /nfs/dbraw/zinc/13/43/40/595134340.db2.gz VHMFUTXENKHRLG-SFHVURJKSA-N 2 0 328.416 1.891 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000843508574 595136706 /nfs/dbraw/zinc/13/67/06/595136706.db2.gz XTLARJACZRAGCT-IPMKNSEASA-N 2 0 343.471 1.488 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC3(C[NH+](C)C3)C2)cc1 ZINC000834526673 595155442 /nfs/dbraw/zinc/15/54/42/595155442.db2.gz UNJIJKKAAZYZTG-RMKNXTFCSA-N 2 0 343.471 1.804 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846144883 595156265 /nfs/dbraw/zinc/15/62/65/595156265.db2.gz KSJBEEWCTHHIKJ-SJORKVTESA-N 2 0 332.448 1.068 20 0 EDADRP C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCCCCC[NH3+])CC2)C1 ZINC000846221016 595177470 /nfs/dbraw/zinc/17/74/70/595177470.db2.gz FVVJDYPGAOISBE-ROUUACIJSA-N 2 0 338.540 1.818 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000834854286 595231398 /nfs/dbraw/zinc/23/13/98/595231398.db2.gz UVHQQUPSKNCAJQ-MRXNPFEDSA-N 2 0 325.497 1.712 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC000844018657 595244608 /nfs/dbraw/zinc/24/46/08/595244608.db2.gz SVRRGJSEZMTCCG-CALCHBBNSA-N 2 0 325.497 1.820 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000843074438 595281362 /nfs/dbraw/zinc/28/13/62/595281362.db2.gz ZTWSXGMRVPLMEG-PBHICJAKSA-N 2 0 328.403 1.825 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000844169689 595289911 /nfs/dbraw/zinc/28/99/11/595289911.db2.gz BTCARMXAZFGKJZ-IEBWSBKVSA-N 2 0 343.471 1.633 20 0 EDADRP CN(C(=O)CO[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844174243 595291930 /nfs/dbraw/zinc/29/19/30/595291930.db2.gz SCOWGBCBKYPABD-RTBURBONSA-N 2 0 345.487 1.878 20 0 EDADRP Cc1ccc(N2CCN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C)C2)cc1C ZINC000846673834 595298102 /nfs/dbraw/zinc/29/81/02/595298102.db2.gz SATWSGRCSSJPPF-SJLPKXTDSA-N 2 0 332.492 1.620 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)c1 ZINC000843186525 595301165 /nfs/dbraw/zinc/30/11/65/595301165.db2.gz YYYBNYIEPUDKJF-OAHLLOKOSA-N 2 0 332.404 1.208 20 0 EDADRP C[NH2+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844219947 595305728 /nfs/dbraw/zinc/30/57/28/595305728.db2.gz OYXSGIJMJLUKKM-MRXNPFEDSA-N 2 0 346.475 1.393 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000844221082 595306257 /nfs/dbraw/zinc/30/62/57/595306257.db2.gz SQVXKNZPUZMHCU-SFHVURJKSA-N 2 0 334.464 1.425 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)cc2)CC1 ZINC000848415819 595375766 /nfs/dbraw/zinc/37/57/66/595375766.db2.gz QKERYZPVGMSDLJ-IEBWSBKVSA-N 2 0 328.460 1.767 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)Nc2cnn(CC[NH+](C)C)c2)cc1 ZINC000847417122 595415053 /nfs/dbraw/zinc/41/50/53/595415053.db2.gz WNTBPUJYGGCJMV-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(F)c1 ZINC000849059803 595476749 /nfs/dbraw/zinc/47/67/49/595476749.db2.gz OQFNRUASVIORNX-CABCVRRESA-N 2 0 338.427 1.164 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000849074468 595478483 /nfs/dbraw/zinc/47/84/83/595478483.db2.gz QCVPNESVSQVPKE-LLVKDONJSA-N 2 0 332.374 1.544 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=[NH2+])Nc2cc(F)ccc2F)CC1 ZINC000849079846 595479090 /nfs/dbraw/zinc/47/90/90/595479090.db2.gz HWFZAXHMRAFNKJ-LBPRGKRZSA-N 2 0 325.407 1.927 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCc2ccncc2OCCC[NH+](C)C)CCO1 ZINC000849081387 595479584 /nfs/dbraw/zinc/47/95/84/595479584.db2.gz WIEIRLPDIDVTGM-AWEZNQCLSA-N 2 0 335.452 1.157 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000852796669 595547292 /nfs/dbraw/zinc/54/72/92/595547292.db2.gz RSSCOFKISJVALW-QGZVFWFLSA-N 2 0 343.427 1.844 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849521664 595558130 /nfs/dbraw/zinc/55/81/30/595558130.db2.gz USWLBGAOKIWAKP-IRXDYDNUSA-N 2 0 333.480 1.010 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+](CC3CC3)C2)cn1 ZINC000849525123 595558879 /nfs/dbraw/zinc/55/88/79/595558879.db2.gz LTUKCYFCBCRHOW-FGTMMUONSA-N 2 0 345.491 1.056 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849531471 595559565 /nfs/dbraw/zinc/55/95/65/595559565.db2.gz DTOGBGZMMSWFPI-DLBZAZTESA-N 2 0 335.496 1.304 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)c1 ZINC000849571769 595575590 /nfs/dbraw/zinc/57/55/90/595575590.db2.gz IHWNWVJTQYLIJU-JKSUJKDBSA-N 2 0 342.447 1.555 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)c1cccc2c1C[NH2+]C2 ZINC000852857650 595578887 /nfs/dbraw/zinc/57/88/87/595578887.db2.gz AGMWNBZLIFLLJY-MRXNPFEDSA-N 2 0 329.444 1.663 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)=NO1 ZINC000852863429 595583652 /nfs/dbraw/zinc/58/36/52/595583652.db2.gz OQYRNCOOXUSYGH-KRWDZBQOSA-N 2 0 344.459 1.782 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000852862813 595584088 /nfs/dbraw/zinc/58/40/88/595584088.db2.gz HQTXDKLDMAKLNO-UHFFFAOYSA-N 2 0 330.432 1.825 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000852875246 595592277 /nfs/dbraw/zinc/59/22/77/595592277.db2.gz HMKVSHKXGNNJQK-ZDUSSCGKSA-N 2 0 331.342 1.288 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@]2(F)CC[NH2+]C2)cc1F ZINC000852906951 595609210 /nfs/dbraw/zinc/60/92/10/595609210.db2.gz ZAFRDQHLBMXRDW-RVSPLBMKSA-N 2 0 339.386 1.098 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858097697 595699165 /nfs/dbraw/zinc/69/91/65/595699165.db2.gz WBRDAERWVAZGOL-GFCCVEGCSA-N 2 0 344.301 1.298 20 0 EDADRP CC1(C)OC[C@@H](CC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)O1 ZINC000851740129 595903293 /nfs/dbraw/zinc/90/32/93/595903293.db2.gz LHRNYYLERSCPLK-QGZVFWFLSA-N 2 0 326.481 1.962 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000851849440 595946434 /nfs/dbraw/zinc/94/64/34/595946434.db2.gz UPKWRLOVSZSNPK-OAGGEKHMSA-N 2 0 343.512 1.923 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cnn(C)c3)C2)ccn1 ZINC000856554520 596016725 /nfs/dbraw/zinc/01/67/25/596016725.db2.gz KHMAPCXGSHHQIG-GOSISDBHSA-N 2 0 329.448 1.920 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597850 596028780 /nfs/dbraw/zinc/02/87/80/596028780.db2.gz CJGFALNZWLPJRH-GOSISDBHSA-N 2 0 348.491 1.853 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000861626312 596050851 /nfs/dbraw/zinc/05/08/51/596050851.db2.gz OBBXBSRJWYBQDA-NVXWUHKLSA-N 2 0 334.464 1.266 20 0 EDADRP O=C1OCCN1c1cccc2c1CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000852747217 596237495 /nfs/dbraw/zinc/23/74/95/596237495.db2.gz ZENOOCVSPWWPTE-OAHLLOKOSA-N 2 0 343.427 1.522 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000866666436 596285524 /nfs/dbraw/zinc/28/55/24/596285524.db2.gz QKTPTWKTEHKILL-QZTJIDSGSA-N 2 0 330.476 1.692 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000866668850 596286025 /nfs/dbraw/zinc/28/60/25/596286025.db2.gz KDTJHPZKKUANDS-BNOWGMLFSA-N 2 0 329.391 1.679 20 0 EDADRP Cc1c(F)nccc1C[NH2+][C@H]1CCCN(Cc2nccn2C)C1=O ZINC000862314391 596301344 /nfs/dbraw/zinc/30/13/44/596301344.db2.gz AJOJUCUHOVDYFE-AWEZNQCLSA-N 2 0 331.395 1.543 20 0 EDADRP Cc1c(F)nccc1C[NH2+][C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000862314392 596301387 /nfs/dbraw/zinc/30/13/87/596301387.db2.gz AJOJUCUHOVDYFE-CQSZACIVSA-N 2 0 331.395 1.543 20 0 EDADRP CC(C)Oc1ccccc1C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866708052 596303073 /nfs/dbraw/zinc/30/30/73/596303073.db2.gz CNYJGPNHZMBZQS-JZXOWHBKSA-N 2 0 345.443 1.841 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866712711 596305708 /nfs/dbraw/zinc/30/57/08/596305708.db2.gz VWDZUVZZCIBTEA-YVSFHVDLSA-N 2 0 331.416 1.241 20 0 EDADRP [NH3+][C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000866762686 596328502 /nfs/dbraw/zinc/32/85/02/596328502.db2.gz YVCCSSPBHHYPIH-DLBZAZTESA-N 2 0 337.489 1.229 20 0 EDADRP C[C@H](NC(=O)CCC12CC(C1)C[NH2+]2)C1([NH+]2CCOCC2)CCCC1 ZINC000870926596 596408453 /nfs/dbraw/zinc/40/84/53/596408453.db2.gz ISXKJTKMCBOUJQ-HJOIGYKYSA-N 2 0 335.492 1.668 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn(CC2CCCC2)c1 ZINC000865178043 596502242 /nfs/dbraw/zinc/50/22/42/596502242.db2.gz OUOITQOSEGGDDW-UHFFFAOYSA-N 2 0 335.496 1.639 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cccnc2Br)CC1 ZINC000865483265 596587530 /nfs/dbraw/zinc/58/75/30/596587530.db2.gz HEESPMSYLPHDAP-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[NH+]1CCC(C)CC1 ZINC000869763999 596622674 /nfs/dbraw/zinc/62/26/74/596622674.db2.gz DNPXZAVZEMZGMD-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3ccc(-n4ccnc4)nc3)CC[C@@H]21 ZINC000868019823 596656993 /nfs/dbraw/zinc/65/69/93/596656993.db2.gz DDEQYAWQTVAAAU-HOTGVXAUSA-N 2 0 340.431 1.503 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@H](CC[N@@H+]3C)C2)C[C@@H](C)O1 ZINC000868022650 596658470 /nfs/dbraw/zinc/65/84/70/596658470.db2.gz YNHWZPJGTIWIRG-QBPKDAKJSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000863769166 596681369 /nfs/dbraw/zinc/68/13/69/596681369.db2.gz XOWAIHMNZHMXJM-AWEZNQCLSA-N 2 0 340.512 1.151 20 0 EDADRP Cc1nn(C(C)C)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017318 596709562 /nfs/dbraw/zinc/70/95/62/596709562.db2.gz JUKDVXUOKQRABE-HZPDHXFCSA-N 2 0 335.496 1.584 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC000863897962 596709713 /nfs/dbraw/zinc/70/97/13/596709713.db2.gz YWIVMFDUOLILAH-UHFFFAOYSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@](C)(O)Cc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870021667 596712118 /nfs/dbraw/zinc/71/21/18/596712118.db2.gz TVJCPTFSJMMDBU-GGPKGHCWSA-N 2 0 347.503 1.178 20 0 EDADRP CN1CCn2nc(NC(=O)Nc3ccc([C@@H]4C[C@H]4[NH3+])cc3)cc2C1 ZINC000868176199 596712173 /nfs/dbraw/zinc/71/21/73/596712173.db2.gz MDVATRXIDHUZRG-LSDHHAIUSA-N 2 0 326.404 1.787 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H](O)CCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870022111 596712496 /nfs/dbraw/zinc/71/24/96/596712496.db2.gz ODWHSQAXGFZKDK-GUDVDZBRSA-N 2 0 347.503 1.178 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(Cl)ccc2O)C[C@H]1C[NH+](C)C ZINC000870023685 596714193 /nfs/dbraw/zinc/71/41/93/596714193.db2.gz IRAFLMJTMCEBIG-CHWSQXEVSA-N 2 0 339.867 1.857 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000870025818 596714520 /nfs/dbraw/zinc/71/45/20/596714520.db2.gz YZNZKQBQPBACDJ-FMKPAKJESA-N 2 0 349.479 1.073 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+]1C ZINC000868237799 596740378 /nfs/dbraw/zinc/74/03/78/596740378.db2.gz NDSGIIZVYVZDAK-OSMBCOQSSA-N 2 0 344.459 1.381 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000868298182 596774368 /nfs/dbraw/zinc/77/43/68/596774368.db2.gz QEXHYFAEIKFSAJ-CYBMUJFWSA-N 2 0 332.448 1.588 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000868309546 596782539 /nfs/dbraw/zinc/78/25/39/596782539.db2.gz KPPVWBNDIXDVSS-NOLJZWGESA-N 2 0 330.432 1.197 20 0 EDADRP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000872223730 596843125 /nfs/dbraw/zinc/84/31/25/596843125.db2.gz XEZDWNNVWQBJSC-BZUAXINKSA-N 2 0 341.496 1.869 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000872263535 596860088 /nfs/dbraw/zinc/86/00/88/596860088.db2.gz GPNYCJOBBPXJAH-JCGIZDLHSA-N 2 0 331.464 1.188 20 0 EDADRP CC(C)SCCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875581601 596905212 /nfs/dbraw/zinc/90/52/12/596905212.db2.gz QVWBHYJJRZBCFT-HUUCEWRRSA-N 2 0 330.542 1.509 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NCCN1CCOC[C@H]1CC ZINC000875589574 596907135 /nfs/dbraw/zinc/90/71/35/596907135.db2.gz AOWOZVYIIHNDHD-JKSUJKDBSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCC23CC3)C[C@H]1C[NH+](C)C ZINC000875916074 597033074 /nfs/dbraw/zinc/03/30/74/597033074.db2.gz ZVTALARFGPTRJS-BRWVUGGUSA-N 2 0 336.524 1.948 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C3CCC3)CC1)C2=O ZINC000872701344 597037114 /nfs/dbraw/zinc/03/71/14/597037114.db2.gz VEVSDHPFNOTFNE-MRXNPFEDSA-N 2 0 348.491 1.862 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000874432680 597076253 /nfs/dbraw/zinc/07/62/53/597076253.db2.gz PJIFEIUDGYJWAG-HRCADAONSA-N 2 0 332.448 1.952 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)ccc1C[NH+](C)C ZINC000873109208 597198296 /nfs/dbraw/zinc/19/82/96/597198296.db2.gz HIUGVAZLSSUJEC-HNAYVOBHSA-N 2 0 344.459 1.063 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000873112748 597200371 /nfs/dbraw/zinc/20/03/71/597200371.db2.gz WZKVDLVKBUTVMM-HZPDHXFCSA-N 2 0 330.432 1.040 20 0 EDADRP COC(=O)CC[N@@H+](Cc1cc2c(s1)CC[NH2+]C2)C[C@@H]1CCCO1 ZINC000873205394 597227273 /nfs/dbraw/zinc/22/72/73/597227273.db2.gz NXIMVPSFKAKLLM-AWEZNQCLSA-N 2 0 338.473 1.938 20 0 EDADRP NC(=O)[C@@H]1c2ccccc2CCN1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873208750 597227673 /nfs/dbraw/zinc/22/76/73/597227673.db2.gz UPKYDRHPQVKUSB-KRWDZBQOSA-N 2 0 327.453 1.979 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873250925 597240433 /nfs/dbraw/zinc/24/04/33/597240433.db2.gz UCBJWFLWYOKHOE-IIAWOOMASA-N 2 0 326.462 1.335 20 0 EDADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCCC2 ZINC000873275403 597245885 /nfs/dbraw/zinc/24/58/85/597245885.db2.gz FIAUDEMHUUOXDX-CGTJXYLNSA-N 2 0 331.460 1.913 20 0 EDADRP CC1CC[NH+](CCCNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875020226 597246851 /nfs/dbraw/zinc/24/68/51/597246851.db2.gz OBNUSJOQMIUANI-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000876709484 597297149 /nfs/dbraw/zinc/29/71/49/597297149.db2.gz SDNLVNLZZWBLNG-MRXNPFEDSA-N 2 0 327.432 1.446 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000876721321 597305159 /nfs/dbraw/zinc/30/51/59/597305159.db2.gz SPVAOZDYACGTAQ-HMDTVDTHSA-N 2 0 328.460 1.574 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000876723231 597306388 /nfs/dbraw/zinc/30/63/88/597306388.db2.gz QMKMZZREAZUCOT-BHYGNILZSA-N 2 0 347.507 1.966 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2c(C)cnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000876762342 597328958 /nfs/dbraw/zinc/32/89/58/597328958.db2.gz FZOGGOSWDBJCNY-QGZVFWFLSA-N 2 0 347.507 1.968 20 0 EDADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876784457 597339737 /nfs/dbraw/zinc/33/97/37/597339737.db2.gz GPTCFFKVNLFNLC-BPQIPLTHSA-N 2 0 344.503 1.687 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000876866573 597362840 /nfs/dbraw/zinc/36/28/40/597362840.db2.gz VCWFQVOHWKMHNO-WDEREUQCSA-N 2 0 337.292 1.819 20 0 EDADRP CO[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1(C)C ZINC000875357803 597397736 /nfs/dbraw/zinc/39/77/36/597397736.db2.gz QWJFOCMCJPDDGR-FPCVCCKLSA-N 2 0 340.512 1.181 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000875368903 597403378 /nfs/dbraw/zinc/40/33/78/597403378.db2.gz BFNAXYFWYRFNSS-IRXDYDNUSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC000875371541 597404674 /nfs/dbraw/zinc/40/46/74/597404674.db2.gz QPLHIQCZSCEWAF-DOTOQJQBSA-N 2 0 334.508 1.987 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000877019572 597413467 /nfs/dbraw/zinc/41/34/67/597413467.db2.gz ZSZXZXSANVWNGJ-GXTWGEPZSA-N 2 0 333.398 1.847 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC2(C3CC3)CCC2)C[C@H]1C[NH+](C)C ZINC000875412606 597418467 /nfs/dbraw/zinc/41/84/67/597418467.db2.gz SOJMBKYRXBHYLC-HZPDHXFCSA-N 2 0 336.524 1.948 20 0 EDADRP CC[C@@H](CSC)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875458951 597437316 /nfs/dbraw/zinc/43/73/16/597437316.db2.gz LXSFRULQVBRPAD-KFWWJZLASA-N 2 0 330.542 1.509 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000877132797 597439636 /nfs/dbraw/zinc/43/96/36/597439636.db2.gz NPVGXCSLZLKQMU-INIZCTEOSA-N 2 0 327.513 1.827 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)[NH2+]C1 ZINC000877152156 597444526 /nfs/dbraw/zinc/44/45/26/597444526.db2.gz HCNCDOYWWFEILW-INIZCTEOSA-N 2 0 337.508 1.916 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)[NH2+]C1 ZINC000877153626 597444597 /nfs/dbraw/zinc/44/45/97/597444597.db2.gz WYJMKULTUJZYAZ-HOCLYGCPSA-N 2 0 328.460 1.932 20 0 EDADRP C[C@@]1(Br)C[C@H]1C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199285 597459415 /nfs/dbraw/zinc/45/94/15/597459415.db2.gz LMHIOAULEVBEPE-SMDDNHRTSA-N 2 0 339.237 1.603 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000877244646 597476992 /nfs/dbraw/zinc/47/69/92/597476992.db2.gz IJKHHBFSPRYIDS-CGBFIWBNSA-N 2 0 343.471 1.379 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257931 597482113 /nfs/dbraw/zinc/48/21/13/597482113.db2.gz UOPOIUKJFPZKFM-XLIONFOSSA-N 2 0 346.519 1.669 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1C(F)(F)F ZINC000877361538 597501603 /nfs/dbraw/zinc/50/16/03/597501603.db2.gz VAEHJGHTQJGBOM-XNRPHZJLSA-N 2 0 341.377 1.513 20 0 EDADRP CC(=O)Nc1ccccc1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669296 597546367 /nfs/dbraw/zinc/54/63/67/597546367.db2.gz CDTLIXJWBJVXJP-QZTJIDSGSA-N 2 0 332.492 1.816 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2C[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000877826359 597560519 /nfs/dbraw/zinc/56/05/19/597560519.db2.gz BQYLCCGQKFLNFH-CTYIDZIISA-N 2 0 326.481 1.932 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(C(N)=O)cc3)CC2)C1 ZINC000878248209 597589792 /nfs/dbraw/zinc/58/97/92/597589792.db2.gz SIINYIVDYJMUQU-SFHVURJKSA-N 2 0 330.476 1.040 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)C1 ZINC000878248235 597589843 /nfs/dbraw/zinc/58/98/43/597589843.db2.gz SVUQFXHNWVBWDV-ROUUACIJSA-N 2 0 339.524 1.002 20 0 EDADRP CN(CC[N@H+](C)C[C@@H](O)CC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000878311268 597594625 /nfs/dbraw/zinc/59/46/25/597594625.db2.gz GMIGJNPGMJGONX-KRWDZBQOSA-N 2 0 327.513 1.000 20 0 EDADRP CC[NH+](CC)CCOCC[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883086980 597644130 /nfs/dbraw/zinc/64/41/30/597644130.db2.gz KNJXOORAQTZPOR-UHFFFAOYSA-N 2 0 326.510 1.657 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H]1CCC2(CCOCC2)CO1)CC[NH+](C)C ZINC000878623660 597658731 /nfs/dbraw/zinc/65/87/31/597658731.db2.gz UBZBSMSINMIBQK-SFHVURJKSA-N 2 0 341.540 1.778 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000879703344 597695204 /nfs/dbraw/zinc/69/52/04/597695204.db2.gz JCHZGXPFBBMICD-FQEVSTJZSA-N 2 0 347.503 1.659 20 0 EDADRP CCS(=O)(=O)NCCC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879703995 597695391 /nfs/dbraw/zinc/69/53/91/597695391.db2.gz HZKPCTWJOPJHGO-UHFFFAOYSA-N 2 0 333.542 1.616 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1)C1CC1 ZINC000883285253 597699647 /nfs/dbraw/zinc/69/96/47/597699647.db2.gz KMMMCIOLAXQTMZ-HNNXBMFYSA-N 2 0 331.464 1.786 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000131793331 597741226 /nfs/dbraw/zinc/74/12/26/597741226.db2.gz OUYILXCLFOIICR-UHFFFAOYSA-N 2 0 333.432 1.922 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000883458842 597756435 /nfs/dbraw/zinc/75/64/35/597756435.db2.gz ZAPXBGRUTDGMLO-MRXNPFEDSA-N 2 0 349.479 1.270 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc2c(c1)CCCO2 ZINC000879008317 597784571 /nfs/dbraw/zinc/78/45/71/597784571.db2.gz CTMLUYYPCZGLJJ-CQSZACIVSA-N 2 0 331.460 1.873 20 0 EDADRP CN(CCC[NH3+])C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586539 597815509 /nfs/dbraw/zinc/81/55/09/597815509.db2.gz NINHWUAGWMQKNT-QGZVFWFLSA-N 2 0 331.464 1.784 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)C[NH+]2CCCC2)C[C@H]1CNC(=O)OC(C)(C)C ZINC000879211249 597850092 /nfs/dbraw/zinc/85/00/92/597850092.db2.gz DWQKTVILFODESF-BZUAXINKSA-N 2 0 341.496 1.536 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000879376996 597904483 /nfs/dbraw/zinc/90/44/83/597904483.db2.gz JHVWHIZQSQVLER-NSHDSACASA-N 2 0 332.404 1.394 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000884018438 597969161 /nfs/dbraw/zinc/96/91/61/597969161.db2.gz VJSLSVKRRCSFIF-CHWSQXEVSA-N 2 0 326.238 1.707 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884191639 598021165 /nfs/dbraw/zinc/02/11/65/598021165.db2.gz JIDLTIQYTSAGSN-UHFFFAOYSA-N 2 0 343.475 1.095 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000884238951 598039250 /nfs/dbraw/zinc/03/92/50/598039250.db2.gz KQHRVRVNYDAIEK-QGZVFWFLSA-N 2 0 343.475 1.095 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2C[C@H]([NH3+])Cc3ccccc32)c1 ZINC000884346673 598076786 /nfs/dbraw/zinc/07/67/86/598076786.db2.gz WTICZLGEUYUISC-MRXNPFEDSA-N 2 0 325.412 1.815 20 0 EDADRP CN(CC[NH+](C)C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000881132895 598084580 /nfs/dbraw/zinc/08/45/80/598084580.db2.gz QHDZMSFWHOQNOT-SFHVURJKSA-N 2 0 345.491 1.996 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000884488062 598118720 /nfs/dbraw/zinc/11/87/20/598118720.db2.gz MZXRLJYQYNZLRB-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]1CC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000914072865 695063598 /nfs/dbraw/zinc/06/35/98/695063598.db2.gz ZMLOQYVSDUMUSA-ZWKOTPCHSA-N 2 0 330.476 1.827 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@@H](C)C1 ZINC000914179170 695258961 /nfs/dbraw/zinc/25/89/61/695258961.db2.gz CNRMWGOUGJDZPU-BBWFWOEESA-N 2 0 343.537 1.464 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992903857 695440297 /nfs/dbraw/zinc/44/02/97/695440297.db2.gz DIRHIFIUFGCPFM-GVDBMIGSSA-N 2 0 345.491 1.233 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)co1 ZINC000992918943 695453659 /nfs/dbraw/zinc/45/36/59/695453659.db2.gz NAMBHHGLZFGDLZ-RYQLBKOJSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCN1c1cc[nH+]cc1 ZINC000915261490 695775417 /nfs/dbraw/zinc/77/54/17/695775417.db2.gz KXNPGJPXRCLTRD-HNNXBMFYSA-N 2 0 342.447 1.191 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(Cc2cncn2C)C1 ZINC001031237059 695940141 /nfs/dbraw/zinc/94/01/41/695940141.db2.gz RAGIPCKHRZIOOL-KRWDZBQOSA-N 2 0 333.480 1.375 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000916117338 696622919 /nfs/dbraw/zinc/62/29/19/696622919.db2.gz LZWVHXRTORYKPS-CABCVRRESA-N 2 0 326.510 1.350 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000916841698 696796496 /nfs/dbraw/zinc/79/64/96/696796496.db2.gz HACYSCSZKFMKDI-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1CC1CC(F)(F)C1 ZINC000994512419 696957183 /nfs/dbraw/zinc/95/71/83/696957183.db2.gz YVFWVEPPCDDETH-TZMCWYRMSA-N 2 0 326.391 1.898 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC2(C1)CC[NH+](CCO)CC2 ZINC001040823478 697093654 /nfs/dbraw/zinc/09/36/54/697093654.db2.gz JYEGPGNKPYGNBL-UHFFFAOYSA-N 2 0 335.448 1.262 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1 ZINC000919842692 697342909 /nfs/dbraw/zinc/34/29/09/697342909.db2.gz UVDGJHFEWUBSJW-CVEARBPZSA-N 2 0 337.489 1.605 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1)C1CCC1 ZINC001015796095 697400135 /nfs/dbraw/zinc/40/01/35/697400135.db2.gz JCPJPDBZVRVMGL-ZWKOTPCHSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nc(C)c(CN2CC(CNC(=O)[C@H]3C[NH+]4CCC3CC4)C2)o1 ZINC001031674458 697483035 /nfs/dbraw/zinc/48/30/35/697483035.db2.gz JUPRETBBQXQWSN-INIZCTEOSA-N 2 0 346.475 1.435 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C[N@@H+]1C1CC1 ZINC000921383952 697582400 /nfs/dbraw/zinc/58/24/00/697582400.db2.gz GLKOMMRPHZXEET-QGPMSJSTSA-N 2 0 345.491 1.999 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000921424716 697602810 /nfs/dbraw/zinc/60/28/10/697602810.db2.gz PBXPYVWOISTRQP-OIISXLGYSA-N 2 0 338.496 1.268 20 0 EDADRP COC[C@@H](C)[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031707022 697696604 /nfs/dbraw/zinc/69/66/04/697696604.db2.gz QJFUFBYPQMHCRG-GFCCVEGCSA-N 2 0 325.478 1.506 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730211 698066618 /nfs/dbraw/zinc/06/66/18/698066618.db2.gz HEKAIZHGNOQUQG-CRAIPNDOSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CC[C@@H]3CCCO3)C2)CC1 ZINC001032094504 698596459 /nfs/dbraw/zinc/59/64/59/698596459.db2.gz IZDGEEQDIPIOBW-SFHVURJKSA-N 2 0 337.508 1.724 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501749 701561403 /nfs/dbraw/zinc/56/14/03/701561403.db2.gz GTCWVFPYNIVUTO-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031771715 699093383 /nfs/dbraw/zinc/09/33/83/699093383.db2.gz GZFLAAXLCKYJDC-SFHVURJKSA-N 2 0 349.450 1.737 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1nccs1 ZINC000939127346 699205185 /nfs/dbraw/zinc/20/51/85/699205185.db2.gz CLLRRTYXHZBYRQ-ZIAGYGMSSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939137932 699225853 /nfs/dbraw/zinc/22/58/53/699225853.db2.gz PLNNDKWTFYEROL-UKRRQHHQSA-N 2 0 334.464 1.651 20 0 EDADRP CC[C@@H](C(=O)N1CCN(C2C[NH+](CC3CC(C)C3)C2)CC1)[NH+](C)C ZINC000941570982 701580896 /nfs/dbraw/zinc/58/08/96/701580896.db2.gz HWKVHBKQVYWDKP-HTWSVDAQSA-N 2 0 336.524 1.201 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@H](C)[NH+]3CCCCCC3)CC2)C1 ZINC000941595335 701587139 /nfs/dbraw/zinc/58/71/39/701587139.db2.gz HQHGWMJXQSITSE-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCO2)C1 ZINC001031806647 699431306 /nfs/dbraw/zinc/43/13/06/699431306.db2.gz JFRGYXNMFPRBGH-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939258552 699436123 /nfs/dbraw/zinc/43/61/23/699436123.db2.gz RBLDBZAXNQHPEZ-SCLBCKFNSA-N 2 0 348.491 1.960 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)c1ccn2c[nH+]cc2c1 ZINC001031817151 699519148 /nfs/dbraw/zinc/51/91/48/699519148.db2.gz RHTUXQXTVYOVOC-QGZVFWFLSA-N 2 0 328.416 1.565 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C(C)(C)c3cnc[nH]3)C[C@@H]2C)on1 ZINC000939533950 699671998 /nfs/dbraw/zinc/67/19/98/699671998.db2.gz GYYDBQPDBSOKMG-FZMZJTMJSA-N 2 0 331.420 1.620 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939545792 699687830 /nfs/dbraw/zinc/68/78/30/699687830.db2.gz OWWFTPSOSDZOHA-CXAGYDPISA-N 2 0 349.425 1.997 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939546462 699688597 /nfs/dbraw/zinc/68/85/97/699688597.db2.gz SOOZTIGGXNYHBG-PBHICJAKSA-N 2 0 328.460 1.422 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000941677362 701615876 /nfs/dbraw/zinc/61/58/76/701615876.db2.gz NHGXHZXKEYOCAY-IAGOWNOFSA-N 2 0 336.524 1.344 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)c3ccccc3C[NH+](C)C)CC2)C1 ZINC000941675283 701615021 /nfs/dbraw/zinc/61/50/21/701615021.db2.gz XKUILLYHJDWYFO-UHFFFAOYSA-N 2 0 330.476 1.210 20 0 EDADRP Cc1nccn1CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000939748574 699895487 /nfs/dbraw/zinc/89/54/87/699895487.db2.gz QOWBNELJGZFZIZ-DOMZBBRYSA-N 2 0 347.850 1.877 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1NCc1nnc(C(C)(C)C)o1 ZINC000939760326 699913172 /nfs/dbraw/zinc/91/31/72/699913172.db2.gz VFVPEOHHHUFJJL-KGLIPLIRSA-N 2 0 349.479 1.399 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939809756 699958154 /nfs/dbraw/zinc/95/81/54/699958154.db2.gz JFYBMOIGWFOUNC-CVEARBPZSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cnns1 ZINC000939810177 699958452 /nfs/dbraw/zinc/95/84/52/699958452.db2.gz LEFPIOGSWXOYMA-DZGCQCFKSA-N 2 0 337.493 1.351 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939811051 699959154 /nfs/dbraw/zinc/95/91/54/699959154.db2.gz QEQTULOEBQWWDV-SJORKVTESA-N 2 0 333.480 1.196 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)[nH]1 ZINC000940159331 700292236 /nfs/dbraw/zinc/29/22/36/700292236.db2.gz GXZWZHUNWMFVJK-HNNXBMFYSA-N 2 0 348.495 1.458 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000940178234 700311752 /nfs/dbraw/zinc/31/17/52/700311752.db2.gz DBBCOXSRIFQZSE-MRXNPFEDSA-N 2 0 345.491 1.740 20 0 EDADRP Cn1ncnc1C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000940248236 700412676 /nfs/dbraw/zinc/41/26/76/700412676.db2.gz VWUNAAYXBVJEPM-UHFFFAOYSA-N 2 0 348.495 1.160 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]C[C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000940281900 700470704 /nfs/dbraw/zinc/47/07/04/700470704.db2.gz CMEDETSNQUIDNT-ULQDDVLXSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2nccs2)C1)C12CC[NH+](CC1)C2 ZINC000995169218 701646618 /nfs/dbraw/zinc/64/66/18/701646618.db2.gz RMSGXQPRUMVKSG-UONOGXRCSA-N 2 0 334.489 1.613 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)co1 ZINC000940327943 700505444 /nfs/dbraw/zinc/50/54/44/700505444.db2.gz AFXIZCCNASFPGG-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000940327988 700505797 /nfs/dbraw/zinc/50/57/97/700505797.db2.gz BVSZJLXHCLXISI-CJNGLKHVSA-N 2 0 348.491 1.960 20 0 EDADRP CCc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940328367 700506410 /nfs/dbraw/zinc/50/64/10/700506410.db2.gz HUHAISUTMRVIGJ-ZBFHGGJFSA-N 2 0 348.491 1.905 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccnn3C)CC2)C1 ZINC000940328546 700507033 /nfs/dbraw/zinc/50/70/33/700507033.db2.gz KGPQVPPLEARTGA-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC000995078232 700668459 /nfs/dbraw/zinc/66/84/59/700668459.db2.gz JMIIMWVQQJUMGV-RDJZCZTQSA-N 2 0 345.491 1.501 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)nn1C ZINC000995079153 700683634 /nfs/dbraw/zinc/68/36/34/700683634.db2.gz MLILJKGHWSBVCI-RDJZCZTQSA-N 2 0 347.507 1.445 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995108090 700961775 /nfs/dbraw/zinc/96/17/75/700961775.db2.gz BDGNNJGKAWKNOY-IRXDYDNUSA-N 2 0 345.491 1.583 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2occc2C[NH+](C)C)C(C)(C)C1 ZINC000940990880 701043956 /nfs/dbraw/zinc/04/39/56/701043956.db2.gz CQZSDOIMIRUEIC-HIFRSBDPSA-N 2 0 337.464 1.552 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CC[NH+](Cc3cncn3C)CC2(C)C)C1 ZINC000941033808 701077164 /nfs/dbraw/zinc/07/71/64/701077164.db2.gz VSBGBGRHSUMPDO-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCCO3)C2)CC[N@@H+]1C ZINC001031925794 701126633 /nfs/dbraw/zinc/12/66/33/701126633.db2.gz NVTCZSKEBRYBIC-RYQLBKOJSA-N 2 0 337.508 1.724 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124011 701181947 /nfs/dbraw/zinc/18/19/47/701181947.db2.gz NIBAFFCXSOQOHR-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999168655 706596889 /nfs/dbraw/zinc/59/68/89/706596889.db2.gz HVSQJMQEVYOOCP-HUUCEWRRSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1ncoc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215704 701401777 /nfs/dbraw/zinc/40/17/77/701401777.db2.gz AEPWNKXIGAQOTP-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C ZINC000941237398 701428148 /nfs/dbraw/zinc/42/81/48/701428148.db2.gz MSMPGSRTVJCSIW-GOSISDBHSA-N 2 0 347.503 1.961 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999172172 706603511 /nfs/dbraw/zinc/60/35/11/706603511.db2.gz FEFCAISEYNMYNH-HOTGVXAUSA-N 2 0 341.446 1.954 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443722 701535559 /nfs/dbraw/zinc/53/55/59/701535559.db2.gz RLUBXERAMHPXAP-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2C[NH+](CCn3cccn3)C2)C1 ZINC001032128807 701799722 /nfs/dbraw/zinc/79/97/22/701799722.db2.gz KRHCAQWSIHDHIN-IAGOWNOFSA-N 2 0 333.480 1.052 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccccn1 ZINC000995823147 702093033 /nfs/dbraw/zinc/09/30/33/702093033.db2.gz LACIVEULNNFINW-ZWKOTPCHSA-N 2 0 342.487 1.750 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)on1 ZINC000995824383 702095153 /nfs/dbraw/zinc/09/51/53/702095153.db2.gz ILZBRTIDNLJDTP-BMFZPTHFSA-N 2 0 334.464 1.650 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)ncn1 ZINC000995883590 702217508 /nfs/dbraw/zinc/21/75/08/702217508.db2.gz CMYOAYOFLPQXCB-MRXNPFEDSA-N 2 0 345.491 1.596 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CC[C@H]3CCCO3)C(C)(C)C2)CCC1 ZINC000995884645 702218498 /nfs/dbraw/zinc/21/84/98/702218498.db2.gz GXHKLAQTPRBVMU-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC(NCc2nncs2)C1 ZINC000999221778 706655062 /nfs/dbraw/zinc/65/50/62/706655062.db2.gz CYXYKPXBULNTAU-UHFFFAOYSA-N 2 0 337.493 1.492 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000995965127 702311819 /nfs/dbraw/zinc/31/18/19/702311819.db2.gz IAAUEPDJBXPHPO-DLBZAZTESA-N 2 0 349.519 1.726 20 0 EDADRP CCc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032186006 702313805 /nfs/dbraw/zinc/31/38/05/702313805.db2.gz FUHXHZCPVJFCIO-IBGZPJMESA-N 2 0 329.488 1.791 20 0 EDADRP CCn1cc(CN[C@@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)nn1 ZINC000995986773 702349639 /nfs/dbraw/zinc/34/96/39/702349639.db2.gz ZHOLUCITRGXIGH-JKSUJKDBSA-N 2 0 348.495 1.109 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccns3)C2)CC[N@@H+]1C ZINC000999210620 706663393 /nfs/dbraw/zinc/66/33/93/706663393.db2.gz UEIOXLBZYWHPOT-CWRNSKLLSA-N 2 0 336.505 1.954 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]Cc1cnns1 ZINC000995996672 702374742 /nfs/dbraw/zinc/37/47/42/702374742.db2.gz LONRHSUBWMAHLA-CQSZACIVSA-N 2 0 349.504 1.493 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996126997 702559104 /nfs/dbraw/zinc/55/91/04/702559104.db2.gz LYBUWIFZPNDLQY-JKSUJKDBSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000996195404 702622177 /nfs/dbraw/zinc/62/21/77/702622177.db2.gz KATGVQMDZJJHBO-ZOBUZTSGSA-N 2 0 347.507 1.477 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300220 702691616 /nfs/dbraw/zinc/69/16/16/702691616.db2.gz KJNCVSLUJWALQV-WBVHZDCISA-N 2 0 347.507 1.131 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1(C)C ZINC000996300442 702691740 /nfs/dbraw/zinc/69/17/40/702691740.db2.gz MGVXVTAWDFYVOL-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213557 702712815 /nfs/dbraw/zinc/71/28/15/702712815.db2.gz QKNPXDIUAJVDCB-SJORKVTESA-N 2 0 330.476 1.860 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CC2)cn1 ZINC001032675766 706694968 /nfs/dbraw/zinc/69/49/68/706694968.db2.gz MHAVZYAPDIIALM-IRXDYDNUSA-N 2 0 331.464 1.144 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996465817 702793163 /nfs/dbraw/zinc/79/31/63/702793163.db2.gz YUWAKUJIVKUOOI-MRXNPFEDSA-N 2 0 333.480 1.374 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996515374 702850978 /nfs/dbraw/zinc/85/09/78/702850978.db2.gz RHCQOTZXXJJTEX-DOTOQJQBSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2(C)C)cn1 ZINC000996517013 702852460 /nfs/dbraw/zinc/85/24/60/702852460.db2.gz DCJCQOQNJOLMNA-WBVHZDCISA-N 2 0 345.491 1.453 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996522331 702857646 /nfs/dbraw/zinc/85/76/46/702857646.db2.gz YQOPQOXDUVNCFF-PBHICJAKSA-N 2 0 348.466 1.889 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+][C@H](C)c3nncn3C)CC2)CC[N@@H+]1C ZINC000996602822 702906519 /nfs/dbraw/zinc/90/65/19/702906519.db2.gz HHEBVIAPMRVRLF-VNQPRFMTSA-N 2 0 348.495 1.187 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996608427 702912244 /nfs/dbraw/zinc/91/22/44/702912244.db2.gz SHXMDJLTNRLSGI-UMVBOHGHSA-N 2 0 349.479 1.614 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)s1 ZINC000996610333 702915350 /nfs/dbraw/zinc/91/53/50/702915350.db2.gz IIVAUVAVXOIPPY-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]CC1CC(F)(F)C1 ZINC000996614131 702919338 /nfs/dbraw/zinc/91/93/38/702919338.db2.gz YVUSSNLKBPOFTO-CQSZACIVSA-N 2 0 329.435 1.954 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996614374 702919687 /nfs/dbraw/zinc/91/96/87/702919687.db2.gz MYEZXRYRISXIJJ-GDBMZVCRSA-N 2 0 333.480 1.007 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996615016 702922386 /nfs/dbraw/zinc/92/23/86/702922386.db2.gz ONGQDAJTWHCHIZ-SJORKVTESA-N 2 0 347.507 1.224 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]CCC3CCOCC3)C(C)(C)C2)C1 ZINC000996615644 702923122 /nfs/dbraw/zinc/92/31/22/702923122.db2.gz QDNUUEYDMLIQMR-IRXDYDNUSA-N 2 0 337.508 1.581 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)nc2)CC1 ZINC000996661156 702958583 /nfs/dbraw/zinc/95/85/83/702958583.db2.gz LSICMWNDDWZISA-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2ncc(C3CC3)o2)CC1)C1CC1 ZINC000996674879 702970082 /nfs/dbraw/zinc/97/00/82/702970082.db2.gz DFTCSBLMYUARIG-GOSISDBHSA-N 2 0 346.475 1.973 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000996672906 702973965 /nfs/dbraw/zinc/97/39/65/702973965.db2.gz QGFAYUPNQHRVCQ-DNVCBOLYSA-N 2 0 335.492 1.478 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000996688315 702985691 /nfs/dbraw/zinc/98/56/91/702985691.db2.gz IADWCCLWDNZEDU-GOSISDBHSA-N 2 0 347.507 1.858 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000996689270 702986679 /nfs/dbraw/zinc/98/66/79/702986679.db2.gz KXMUMEMAOYBMJF-KRWDZBQOSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996692876 702990082 /nfs/dbraw/zinc/99/00/82/702990082.db2.gz ZMCFMZAMRDNXKZ-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996771721 703061879 /nfs/dbraw/zinc/06/18/79/703061879.db2.gz SATKNXFRFMMOSB-UHFFFAOYSA-N 2 0 332.448 1.692 20 0 EDADRP C[C@@H]1C[N@H+](CCn2cccn2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594553 703107158 /nfs/dbraw/zinc/10/71/58/703107158.db2.gz KNPVZWQIUQHZSR-WBVHZDCISA-N 2 0 333.480 1.052 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)CCn2ccnc2)CC1 ZINC000996860640 703143908 /nfs/dbraw/zinc/14/39/08/703143908.db2.gz SXDBMECPCIRYLF-UHFFFAOYSA-N 2 0 327.432 1.757 20 0 EDADRP Cn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)C2)cn1 ZINC001032042538 703203392 /nfs/dbraw/zinc/20/33/92/703203392.db2.gz DEVBNOJXYPWZFF-ZWKOTPCHSA-N 2 0 345.491 1.028 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)s1 ZINC000996945412 703214443 /nfs/dbraw/zinc/21/44/43/703214443.db2.gz JESQEVMENLUMLR-UHFFFAOYSA-N 2 0 337.493 1.269 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996957234 703220318 /nfs/dbraw/zinc/22/03/18/703220318.db2.gz YUSZBEJOXHVZOJ-LBPRGKRZSA-N 2 0 335.452 1.361 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)c(C)o1 ZINC000997001201 703257859 /nfs/dbraw/zinc/25/78/59/703257859.db2.gz SSPWIKXBMPEDDC-ZDUSSCGKSA-N 2 0 334.464 1.856 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000997008979 703262295 /nfs/dbraw/zinc/26/22/95/703262295.db2.gz NQOAGZJOBYPXHL-HOCLYGCPSA-N 2 0 333.480 1.181 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC000997007013 703264434 /nfs/dbraw/zinc/26/44/34/703264434.db2.gz NUIZOLYHUCGTPZ-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC[C@H]3CCCO3)CC2)CC1 ZINC000997057066 703302921 /nfs/dbraw/zinc/30/29/21/703302921.db2.gz IJJYCTURGBRWJJ-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)no1 ZINC000997057556 703303127 /nfs/dbraw/zinc/30/31/27/703303127.db2.gz KNINPGPRTKASPQ-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000997060411 703305575 /nfs/dbraw/zinc/30/55/75/703305575.db2.gz GLMOHEKCYKVJEI-OAHLLOKOSA-N 2 0 349.479 1.723 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]Cc2nncn2C)CC1)[NH+]1CCCCCC1 ZINC000997061237 703306211 /nfs/dbraw/zinc/30/62/11/703306211.db2.gz AZRUGWSQARAHOH-OAHLLOKOSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000997065056 703309640 /nfs/dbraw/zinc/30/96/40/703309640.db2.gz YHTIAKPIGGNSKJ-MRXNPFEDSA-N 2 0 348.495 1.159 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942820806 703329217 /nfs/dbraw/zinc/32/92/17/703329217.db2.gz AGLNQNJBKQIQAW-DOTOQJQBSA-N 2 0 347.507 1.479 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCO2)CC1 ZINC001032699882 706737297 /nfs/dbraw/zinc/73/72/97/706737297.db2.gz BIWFOXKLQBPHHV-OKZBNKHCSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000997179317 703463427 /nfs/dbraw/zinc/46/34/27/703463427.db2.gz IIBMKKYUGJLDOR-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC000997182552 703466876 /nfs/dbraw/zinc/46/68/76/703466876.db2.gz GQLUFIHEVUHMRV-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC000997191855 703488582 /nfs/dbraw/zinc/48/85/82/703488582.db2.gz HCFMKQWABQNNAP-UHFFFAOYSA-N 2 0 348.516 1.936 20 0 EDADRP COC[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC000997289980 703550967 /nfs/dbraw/zinc/55/09/67/703550967.db2.gz QKIXKXOLOIRBEX-LSDHHAIUSA-N 2 0 325.497 1.580 20 0 EDADRP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1)OC ZINC000997290011 703550984 /nfs/dbraw/zinc/55/09/84/703550984.db2.gz REEUSWMPSVOIRF-QAPCUYQASA-N 2 0 339.524 1.970 20 0 EDADRP Cc1nc(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000997296727 703555483 /nfs/dbraw/zinc/55/54/83/703555483.db2.gz BFPDBLDPRYNFAQ-CQSZACIVSA-N 2 0 336.505 1.526 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997308074 703566389 /nfs/dbraw/zinc/56/63/89/703566389.db2.gz ZEFHSWZEYRAVLA-UHFFFAOYSA-N 2 0 334.464 1.722 20 0 EDADRP Cc1nccn1CC(=O)N1CCC([NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000997310219 703567199 /nfs/dbraw/zinc/56/71/99/703567199.db2.gz PCDFMFWGQFOZDO-HOCLYGCPSA-N 2 0 334.464 1.587 20 0 EDADRP C[C@@H](NC(=O)c1ccccc1C[NH+](C)C)C1CC[NH+](CCCO)CC1 ZINC000997432212 703664012 /nfs/dbraw/zinc/66/40/12/703664012.db2.gz WXHOULFTNMFTQS-MRXNPFEDSA-N 2 0 347.503 1.961 20 0 EDADRP Cc1cc(C)c(C(=O)NC2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)C2)c(C)n1 ZINC000997556447 703828616 /nfs/dbraw/zinc/82/86/16/703828616.db2.gz KFJJXWDGUJZUOJ-HNNXBMFYSA-N 2 0 344.459 1.289 20 0 EDADRP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997612857 703910324 /nfs/dbraw/zinc/91/03/24/703910324.db2.gz KXBIIWMPEZXJGF-KRWDZBQOSA-N 2 0 348.491 1.968 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCc2ccns2)C(C)(C)C1 ZINC000995549236 703932360 /nfs/dbraw/zinc/93/23/60/703932360.db2.gz BOKUPGIEFDWGEO-HUUCEWRRSA-N 2 0 336.505 1.606 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001004203599 703939582 /nfs/dbraw/zinc/93/95/82/703939582.db2.gz LKCXKRSUHFOBGA-HOTGVXAUSA-N 2 0 333.480 1.337 20 0 EDADRP COc1cccc(CN2CCC(NC(=O)Cn3ccnc3)CC2)n1 ZINC001004257953 704086053 /nfs/dbraw/zinc/08/60/53/704086053.db2.gz OLLVAKXBVYDKIF-UHFFFAOYSA-N 2 0 329.404 1.068 20 0 EDADRP CC[C@@H](CN1CCOCC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000922591071 704100726 /nfs/dbraw/zinc/10/07/26/704100726.db2.gz YUUKOJBQSCKBSY-SFHVURJKSA-N 2 0 335.492 1.827 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC001033080312 704145855 /nfs/dbraw/zinc/14/58/55/704145855.db2.gz FVJJCGQSQKBCKO-HZPDHXFCSA-N 2 0 341.446 1.906 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCc2nc[nH]c21)C1CC[NH+](CCCO)CC1 ZINC000997748828 704648391 /nfs/dbraw/zinc/64/83/91/704648391.db2.gz PAZYWXRYLQXZQK-DZGCQCFKSA-N 2 0 334.464 1.429 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1 ZINC000997786871 704696037 /nfs/dbraw/zinc/69/60/37/704696037.db2.gz QQJQTMRRCLWNBC-FUHWJXTLSA-N 2 0 339.524 1.848 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC(C[NH2+]CC2CCCC2)CC1 ZINC000997804386 704716278 /nfs/dbraw/zinc/71/62/78/704716278.db2.gz RFMMPICOXUVYEN-OALUTQOASA-N 2 0 349.519 1.868 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997830220 704748627 /nfs/dbraw/zinc/74/86/27/704748627.db2.gz FAJLBSOSVPSVAE-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000997830307 704749160 /nfs/dbraw/zinc/74/91/60/704749160.db2.gz HRTFDGWCKVXQHA-KRWDZBQOSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997888452 704790723 /nfs/dbraw/zinc/79/07/23/704790723.db2.gz LIUQTRQNXCZWLM-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2csnn2)CC1)C12CCC[NH+]1CCC2 ZINC000997889428 704791269 /nfs/dbraw/zinc/79/12/69/704791269.db2.gz VLQYXBLVTMNLLX-UHFFFAOYSA-N 2 0 349.504 1.495 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997889399 704791274 /nfs/dbraw/zinc/79/12/74/704791274.db2.gz UBINPQRZFLZAPA-MRXNPFEDSA-N 2 0 342.443 1.813 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000998028114 705215599 /nfs/dbraw/zinc/21/55/99/705215599.db2.gz QCAVJJFRBYTCGH-UHFFFAOYSA-N 2 0 348.491 1.907 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000998039502 705234291 /nfs/dbraw/zinc/23/42/91/705234291.db2.gz ABSALYCZVYNQTQ-GOSISDBHSA-N 2 0 349.523 1.817 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998080517 705306468 /nfs/dbraw/zinc/30/64/68/705306468.db2.gz BXNQQCDYWCEZDZ-WMLDXEAASA-N 2 0 348.491 1.763 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)C1 ZINC000998083587 705312353 /nfs/dbraw/zinc/31/23/53/705312353.db2.gz WNRXGYOOILWSKZ-OAHLLOKOSA-N 2 0 333.480 1.090 20 0 EDADRP CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CCCN(Cc2nccn2C)CC1 ZINC000998188825 705493521 /nfs/dbraw/zinc/49/35/21/705493521.db2.gz KQHAEJOWDFEAKF-DLBZAZTESA-N 2 0 347.507 1.575 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)n1 ZINC000998221087 705545682 /nfs/dbraw/zinc/54/56/82/705545682.db2.gz BHTLCIYDAYJEBP-UHFFFAOYSA-N 2 0 345.491 1.327 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1cnccn1 ZINC000998272960 705652523 /nfs/dbraw/zinc/65/25/23/705652523.db2.gz HSTJAOYCHFVIIU-HNNXBMFYSA-N 2 0 331.464 1.462 20 0 EDADRP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998273298 705653349 /nfs/dbraw/zinc/65/33/49/705653349.db2.gz OBGPHJRGMKUQCS-KRWDZBQOSA-N 2 0 330.476 1.670 20 0 EDADRP Cn1cnnc1C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000998284353 705678883 /nfs/dbraw/zinc/67/88/83/705678883.db2.gz AWWUFNWCJSDGLI-UHFFFAOYSA-N 2 0 348.495 1.019 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998286173 705682103 /nfs/dbraw/zinc/68/21/03/705682103.db2.gz HDVLAIPJWQFHAI-GJZGRUSLSA-N 2 0 334.464 1.876 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+]Cc2cc[nH]c(=O)c2)c2ccccc2)CC1 ZINC000921666299 705950359 /nfs/dbraw/zinc/95/03/59/705950359.db2.gz CUSRBFVHMHXGJJ-SFHVURJKSA-N 2 0 326.444 1.866 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(Cl)nc2)C1 ZINC000998555199 705993931 /nfs/dbraw/zinc/99/39/31/705993931.db2.gz DDKLQQRMDXAFMP-NRXISQOPSA-N 2 0 336.867 1.908 20 0 EDADRP CN(C(=O)[C@H]1CN(C)CCO1)C1CC([NH2+]CCc2ccccc2)C1 ZINC000998583035 706019124 /nfs/dbraw/zinc/01/91/24/706019124.db2.gz NKHRHTIJJPRDEY-DAWZGUTISA-N 2 0 331.460 1.139 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763964 706205312 /nfs/dbraw/zinc/20/53/12/706205312.db2.gz QJYHSAIWZCQFHE-LEOMRAHMSA-N 2 0 345.491 1.737 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3CC(C)C)C2)[nH]1 ZINC000999036002 706451107 /nfs/dbraw/zinc/45/11/07/706451107.db2.gz PSZSRHUUBQLGMZ-UYSNPLJNSA-N 2 0 348.495 1.313 20 0 EDADRP CC[C@@H]([NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1)C(N)=O ZINC000999023161 706460236 /nfs/dbraw/zinc/46/02/36/706460236.db2.gz ICHKKMLSXACNBT-LDZOIKDWSA-N 2 0 343.431 1.099 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999346841 706858637 /nfs/dbraw/zinc/85/86/37/706858637.db2.gz GMCQSELRVZMKEI-IRXDYDNUSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000999364347 706878340 /nfs/dbraw/zinc/87/83/40/706878340.db2.gz MPOPJIVIPKSZIN-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999371007 706885241 /nfs/dbraw/zinc/88/52/41/706885241.db2.gz MOJHKWHCFAPRKU-CRAIPNDOSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)ncn1 ZINC000999401612 706909264 /nfs/dbraw/zinc/90/92/64/706909264.db2.gz PFYNTQHZNZNSMA-FUHWJXTLSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999410515 706920268 /nfs/dbraw/zinc/92/02/68/706920268.db2.gz YGSBENGPSDRQHT-IGEOTXOUSA-N 2 0 331.464 1.206 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CC[C@H]2CCCO2)C1 ZINC000999507962 707005199 /nfs/dbraw/zinc/00/51/99/707005199.db2.gz FSIGPOGUHVTDFA-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)ncn1 ZINC000999510726 707009238 /nfs/dbraw/zinc/00/92/38/707009238.db2.gz YZVDBTHWSCKSNQ-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]Cc2cncs2)C1)C12CCC[NH+]1CCC2 ZINC000999597935 707100455 /nfs/dbraw/zinc/10/04/55/707100455.db2.gz SGTWCXAGSRGXFM-CQSZACIVSA-N 2 0 334.489 1.852 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3cn(C)nn3)C2)CC1 ZINC000999628965 707153865 /nfs/dbraw/zinc/15/38/65/707153865.db2.gz MYSKGABVJOILKJ-UHFFFAOYSA-N 2 0 348.495 1.015 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+]3CCCC3)C2)on1 ZINC000999794261 707365283 /nfs/dbraw/zinc/36/52/83/707365283.db2.gz UCSKWPZOQGLOOV-FUHWJXTLSA-N 2 0 346.475 1.938 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)C2)n1 ZINC000999795193 707366645 /nfs/dbraw/zinc/36/66/45/707366645.db2.gz YKVTXJFBQBYEPA-MSOLQXFVSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1ccccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CN(C)C[C@@H](C)O2)C1 ZINC001033184935 707367319 /nfs/dbraw/zinc/36/73/19/707367319.db2.gz MICNRHOLYWFSJY-BHIYHBOVSA-N 2 0 345.487 1.747 20 0 EDADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033196661 707411057 /nfs/dbraw/zinc/41/10/57/707411057.db2.gz DNTBFNGBSQAOAO-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999828746 707457339 /nfs/dbraw/zinc/45/73/39/707457339.db2.gz FNEIKXJAFVSUDL-LMWSTFAQSA-N 2 0 338.477 1.182 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999876626 707524413 /nfs/dbraw/zinc/52/44/13/707524413.db2.gz PXSIHNFXYCVKPL-ABHNRTSZSA-N 2 0 347.507 1.416 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2nnc(C)[nH]2)C1 ZINC000999877112 707525943 /nfs/dbraw/zinc/52/59/43/707525943.db2.gz ZVTLHYXJJSFRQB-NRXISQOPSA-N 2 0 334.468 1.067 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999973431 707585883 /nfs/dbraw/zinc/58/58/83/707585883.db2.gz KOGMFRQARZHZJG-AEFFLSMTSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)nn1C ZINC001000107065 707700544 /nfs/dbraw/zinc/70/05/44/707700544.db2.gz WHYDQZIKGZSHHG-DOTOQJQBSA-N 2 0 335.496 1.395 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033395843 707733933 /nfs/dbraw/zinc/73/39/33/707733933.db2.gz KRFCIRVYJQHAJJ-RBUKOAKNSA-N 2 0 345.487 1.595 20 0 EDADRP C[C@@H]([NH2+]Cc1nccn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974827 707805332 /nfs/dbraw/zinc/80/53/32/707805332.db2.gz BHFZVFGTRVVJCH-CVEARBPZSA-N 2 0 345.491 1.375 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H]2CC[NH+](CC3CC(F)(F)C3)C2)C1 ZINC001033421439 707833564 /nfs/dbraw/zinc/83/35/64/707833564.db2.gz XDZCLTYZWDPYIW-UKRRQHHQSA-N 2 0 329.435 1.906 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472476 707960614 /nfs/dbraw/zinc/96/06/14/707960614.db2.gz WNSDFAFOPBSEJZ-ROUUACIJSA-N 2 0 347.507 1.679 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2CN3CCc2c(F)cccc2F)C1 ZINC001032781480 707968764 /nfs/dbraw/zinc/96/87/64/707968764.db2.gz WYCROSYUUQFVGG-ILXRZTDVSA-N 2 0 349.425 1.744 20 0 EDADRP Cc1nccn1CC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@H]1CCOC1 ZINC001032784067 707982716 /nfs/dbraw/zinc/98/27/16/707982716.db2.gz FVCQXGWBPAQDDM-ULQDDVLXSA-N 2 0 332.448 1.293 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C[C@H]3CC[NH+](C)C3)C2)o1 ZINC001033582337 708264561 /nfs/dbraw/zinc/26/45/61/708264561.db2.gz OCBRJGBQUVVCHI-HZPDHXFCSA-N 2 0 334.464 1.666 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](Cc3cncs3)CC2)CC1 ZINC001001794668 708309325 /nfs/dbraw/zinc/30/93/25/708309325.db2.gz KTDHGTPWSMAEIH-UHFFFAOYSA-N 2 0 336.505 1.813 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001831888 708357456 /nfs/dbraw/zinc/35/74/56/708357456.db2.gz BFXZTJUHYBTEMO-APWZRJJASA-N 2 0 344.503 1.916 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cs1 ZINC001033656544 708425587 /nfs/dbraw/zinc/42/55/87/708425587.db2.gz BUBWIBQBSFNDPQ-MRXNPFEDSA-N 2 0 336.505 1.623 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)C[NH+]3CCCC3)C2)c(C)n1 ZINC001033657572 708428826 /nfs/dbraw/zinc/42/88/26/708428826.db2.gz MUFULGQISUTRAA-SFHVURJKSA-N 2 0 330.476 1.827 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)cc1C ZINC001033663471 708443609 /nfs/dbraw/zinc/44/36/09/708443609.db2.gz VYKCEBHHGHXKJR-MSOLQXFVSA-N 2 0 345.487 1.988 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033664501 708446497 /nfs/dbraw/zinc/44/64/97/708446497.db2.gz HIUFMORGKGPSFK-LPHOPBHVSA-N 2 0 343.471 1.701 20 0 EDADRP Cc1ncsc1CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033662167 708477053 /nfs/dbraw/zinc/47/70/53/708477053.db2.gz OGRDCOXSXUHEJG-HUUCEWRRSA-N 2 0 336.505 1.478 20 0 EDADRP CC1(C)CO[C@H](C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001002051610 708583545 /nfs/dbraw/zinc/58/35/45/708583545.db2.gz ACLWBJNUNVDARL-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP CCN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033836142 708863741 /nfs/dbraw/zinc/86/37/41/708863741.db2.gz FXMWMOMAKQKADU-KRWDZBQOSA-N 2 0 347.507 1.781 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CCO)C1 ZINC001033837629 708867126 /nfs/dbraw/zinc/86/71/26/708867126.db2.gz TXLRVXYDOXAUIQ-AEFFLSMTSA-N 2 0 337.508 1.556 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC001005410145 708923015 /nfs/dbraw/zinc/92/30/15/708923015.db2.gz QGLMAZNAULVBEM-MSOLQXFVSA-N 2 0 337.508 1.676 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001002459763 708983435 /nfs/dbraw/zinc/98/34/35/708983435.db2.gz JQJLPFZFTXUYHA-SFHVURJKSA-N 2 0 331.460 1.740 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001033907999 709040946 /nfs/dbraw/zinc/04/09/46/709040946.db2.gz WWABBVWBGOBRIF-VIHIWDAPSA-N 2 0 335.492 1.428 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001033907998 709041144 /nfs/dbraw/zinc/04/11/44/709041144.db2.gz WWABBVWBGOBRIF-ISXWCOSWSA-N 2 0 335.492 1.428 20 0 EDADRP CCN(C(=O)C1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+](C[C@H](C)O)C1 ZINC001034013790 709228441 /nfs/dbraw/zinc/22/84/41/709228441.db2.gz WUYZGDLJVZMSGS-MAUKXSAKSA-N 2 0 337.508 1.412 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C[C@@H](C)O)C1 ZINC001034044436 709296458 /nfs/dbraw/zinc/29/64/58/709296458.db2.gz BABVXDGDAPLWJQ-QAPCUYQASA-N 2 0 333.476 1.665 20 0 EDADRP COCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001005503888 709328831 /nfs/dbraw/zinc/32/88/31/709328831.db2.gz KTJWEVHJCWOPOX-SFHVURJKSA-N 2 0 337.508 1.963 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)C1)c1ccccc1 ZINC001032828550 709452908 /nfs/dbraw/zinc/45/29/08/709452908.db2.gz ICDWAHLSNSBIRN-KSZLIROESA-N 2 0 331.460 1.659 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002850935 709461545 /nfs/dbraw/zinc/46/15/45/709461545.db2.gz DRRMWCNJQCSKGA-CZUORRHYSA-N 2 0 334.464 1.658 20 0 EDADRP CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001034208256 709557146 /nfs/dbraw/zinc/55/71/46/709557146.db2.gz AHTKJQBUXOXHFW-KSZLIROESA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210503 709560803 /nfs/dbraw/zinc/56/08/03/709560803.db2.gz PFBSRLYGGBYMHS-INIZCTEOSA-N 2 0 335.496 1.685 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290791 709715759 /nfs/dbraw/zinc/71/57/59/709715759.db2.gz IYGYDBVVQAKNQY-GDBMZVCRSA-N 2 0 330.432 1.954 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001034342957 709829870 /nfs/dbraw/zinc/82/98/70/709829870.db2.gz LEOBALXIQRNBOM-IPMKNSEASA-N 2 0 345.487 1.785 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC[N@@H+]1C ZINC000702764983 709843442 /nfs/dbraw/zinc/84/34/42/709843442.db2.gz CBDQDPLQVJVXBN-TUVASFSCSA-N 2 0 327.469 1.287 20 0 EDADRP Cc1cccnc1C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486374 710133017 /nfs/dbraw/zinc/13/30/17/710133017.db2.gz JAMOPRGUKSVTKV-KRWDZBQOSA-N 2 0 342.487 1.957 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003221950 710141194 /nfs/dbraw/zinc/14/11/94/710141194.db2.gz MCJHISNQRFOCBA-ZDUSSCGKSA-N 2 0 330.432 1.872 20 0 EDADRP C[C@@H](F)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003332017 710256621 /nfs/dbraw/zinc/25/66/21/710256621.db2.gz JUXLSUHKQVAAEG-GEMJLEDKSA-N 2 0 339.455 1.178 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)[nH]1 ZINC001034642519 710318195 /nfs/dbraw/zinc/31/81/95/710318195.db2.gz GJYXTHWKRUXVHF-BZUAXINKSA-N 2 0 348.495 1.503 20 0 EDADRP Cc1oncc1C[NH+]1CCC(NC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC001003631155 710460316 /nfs/dbraw/zinc/46/03/16/710460316.db2.gz RTHJZFCSUSIEMS-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001003631131 710460404 /nfs/dbraw/zinc/46/04/04/710460404.db2.gz RKFLATWWRKMINZ-DLBZAZTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003635242 710462387 /nfs/dbraw/zinc/46/23/87/710462387.db2.gz NHRYXXCSEBSCHK-WBVHZDCISA-N 2 0 330.476 1.668 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(NC(=O)CC3CC[NH+](C)CC3)CC2)O1 ZINC001003739444 710520201 /nfs/dbraw/zinc/52/02/01/710520201.db2.gz FEXABKQOIUGKCQ-YJBOKZPZSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001034734268 710915702 /nfs/dbraw/zinc/91/57/02/710915702.db2.gz LXWVXVZXBNFFHA-RRCSTGOVSA-N 2 0 349.479 1.798 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnns3)CC2)C1 ZINC001034734321 710916093 /nfs/dbraw/zinc/91/60/93/710916093.db2.gz NQGVQADSKAGZJY-IHRRRGAJSA-N 2 0 337.493 1.397 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1 ZINC001034735291 710919906 /nfs/dbraw/zinc/91/99/06/710919906.db2.gz DZBOHXACZAAUOY-MHORFTMASA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034736590 710924439 /nfs/dbraw/zinc/92/44/39/710924439.db2.gz XPVJDGPQDIUWHZ-JYJNAYRXSA-N 2 0 331.464 1.478 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC001034738620 710930070 /nfs/dbraw/zinc/93/00/70/710930070.db2.gz URBDDQZRCWHMAH-LUKYLMHMSA-N 2 0 345.491 1.500 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034739211 710933677 /nfs/dbraw/zinc/93/36/77/710933677.db2.gz ZEGSYKMPVTYUIG-KCYZZUKISA-N 2 0 348.495 1.013 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC001034748078 710954735 /nfs/dbraw/zinc/95/47/35/710954735.db2.gz NMCCHMUVVSYTOX-QAQDUYKDSA-N 2 0 347.507 1.669 20 0 EDADRP CCn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001034775614 711049613 /nfs/dbraw/zinc/04/96/13/711049613.db2.gz DXUWDDBMPATDTP-BZUAXINKSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034775842 711050145 /nfs/dbraw/zinc/05/01/45/711050145.db2.gz KKFANAUDSPBFBO-JYJNAYRXSA-N 2 0 334.464 1.842 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC001034776682 711054105 /nfs/dbraw/zinc/05/41/05/711054105.db2.gz XIIZCFCZWJUCPD-SZMVWBNQSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001034778470 711080343 /nfs/dbraw/zinc/08/03/43/711080343.db2.gz JDUCOZBDJZBZIV-JYJNAYRXSA-N 2 0 334.464 1.842 20 0 EDADRP COC[C@H](C)[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005714442 711102023 /nfs/dbraw/zinc/10/20/23/711102023.db2.gz RBIDLLNEZWTOQP-AWEZNQCLSA-N 2 0 330.432 1.906 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)C1 ZINC001003976976 711147790 /nfs/dbraw/zinc/14/77/90/711147790.db2.gz UWCNOHDDDHZRML-GOSISDBHSA-N 2 0 345.487 1.601 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCc3ccns3)CC2)C1 ZINC001003977948 711152197 /nfs/dbraw/zinc/15/21/97/711152197.db2.gz ZXDZNUIHWBXGIU-CQSZACIVSA-N 2 0 336.505 1.608 20 0 EDADRP O=C(NC1CC[NH+](CCC[C@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001003986314 711192050 /nfs/dbraw/zinc/19/20/50/711192050.db2.gz UMNOWEHUJZYQMM-INIZCTEOSA-N 2 0 335.492 1.480 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001003986289 711192082 /nfs/dbraw/zinc/19/20/82/711192082.db2.gz TZCGGLUNFBCHMA-UHFFFAOYSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1)C12CC[NH+](CC1)C2 ZINC001003986858 711194237 /nfs/dbraw/zinc/19/42/37/711194237.db2.gz ZKSGOPIMJPWRCA-BEFAXECRSA-N 2 0 333.476 1.089 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCOC3)cc2)CC1 ZINC001034822987 711224544 /nfs/dbraw/zinc/22/45/44/711224544.db2.gz CPOUCVOCMTXFGA-SFHVURJKSA-N 2 0 345.487 1.771 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccncc1Cl ZINC001034882765 711283788 /nfs/dbraw/zinc/28/37/88/711283788.db2.gz ZOXKUWOUQFBRQF-GDBMZVCRSA-N 2 0 336.867 1.910 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC000922388131 711429867 /nfs/dbraw/zinc/42/98/67/711429867.db2.gz OOWHAPKTGQFXIM-RWQQGDIJSA-N 2 0 328.460 1.904 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957843 711430295 /nfs/dbraw/zinc/43/02/95/711430295.db2.gz LRUSDWFBWBDVQB-GOSISDBHSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@@H+](C)C2CCC2)ncn1 ZINC001034958047 711431158 /nfs/dbraw/zinc/43/11/58/711431158.db2.gz WRUWVNOAYLNZKR-QGZVFWFLSA-N 2 0 331.464 1.350 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3n(n1)CCCC3)C2 ZINC000922389757 711438528 /nfs/dbraw/zinc/43/85/28/711438528.db2.gz JWWPFMFDCUMCFI-MKXGPGLRSA-N 2 0 332.492 1.789 20 0 EDADRP CC(C)c1noc([C@H](C)N2CCC(NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001004148658 711561876 /nfs/dbraw/zinc/56/18/76/711561876.db2.gz VCSZMSMRWAONPW-AWEZNQCLSA-N 2 0 349.479 1.930 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2cnn(C)c2)C1 ZINC001033127301 711877613 /nfs/dbraw/zinc/87/76/13/711877613.db2.gz UOEQEAWGHQOGJM-ROUUACIJSA-N 2 0 347.507 1.370 20 0 EDADRP Cc1c(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)ccc2c[nH+]cn21 ZINC000946651698 712198726 /nfs/dbraw/zinc/19/87/26/712198726.db2.gz CKKFTSFGLRBHFU-IYBDPMFKSA-N 2 0 342.443 1.419 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000557670270 306232988 /nfs/dbraw/zinc/23/29/88/306232988.db2.gz USNUMOVLGVCTNR-MJGOQNOKSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000166852608 530050582 /nfs/dbraw/zinc/05/05/82/530050582.db2.gz BKKOLRUDLYRDFQ-INIZCTEOSA-N 2 0 346.475 1.900 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000418755119 303986828 /nfs/dbraw/zinc/98/68/28/303986828.db2.gz XEXOTKLZOKAZDH-KGLIPLIRSA-N 2 0 330.423 1.644 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333802951 539653782 /nfs/dbraw/zinc/65/37/82/539653782.db2.gz OITQJZMUATUWRH-QBYUYEEZSA-N 2 0 348.495 1.243 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000249207232 539697907 /nfs/dbraw/zinc/69/79/07/539697907.db2.gz WKELBJNAEVUBMG-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)CC1 ZINC000339066318 539700339 /nfs/dbraw/zinc/70/03/39/539700339.db2.gz HHEFJWJAMPHYRW-OALUTQOASA-N 2 0 343.519 1.940 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000339266013 539704022 /nfs/dbraw/zinc/70/40/22/539704022.db2.gz RJBANQZYLVBDHL-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@H]1C[C@@H](CO)CC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000561386959 306287354 /nfs/dbraw/zinc/28/73/54/306287354.db2.gz QVLAFDGKHSNJGG-XYJFISCASA-N 2 0 333.476 1.498 20 0 EDADRP COc1ccc([C@@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000561402164 306287562 /nfs/dbraw/zinc/28/75/62/306287562.db2.gz FJAFHIIXQJVKRS-HKUYNNGSSA-N 2 0 333.476 1.344 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000342989716 539772483 /nfs/dbraw/zinc/77/24/83/539772483.db2.gz PKRKPIYPHXSKLM-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP CCOc1ccccc1CN1CCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)C1 ZINC000562442152 306298616 /nfs/dbraw/zinc/29/86/16/306298616.db2.gz KOTDLRXTULUXFW-IEBWSBKVSA-N 2 0 349.519 1.904 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000562707368 306306625 /nfs/dbraw/zinc/30/66/25/306306625.db2.gz LQRQAQAVFVODCG-NXHRZFHOSA-N 2 0 337.508 1.769 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000353240593 539931986 /nfs/dbraw/zinc/93/19/86/539931986.db2.gz UNEOITPTBKJSSO-HNNXBMFYSA-N 2 0 328.501 1.251 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000487302151 540024098 /nfs/dbraw/zinc/02/40/98/540024098.db2.gz QVJJPEAYCCHBQK-UHFFFAOYSA-N 2 0 338.521 1.500 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCCCC[NH2+]2)CCC[N@@H+]1C ZINC000563161319 306321214 /nfs/dbraw/zinc/32/12/14/306321214.db2.gz XOXUABTVVPEPNP-ZMSDIMECSA-N 2 0 333.480 1.451 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H]2Cc3cccc(O)c3C2)CC1 ZINC000563207771 306323577 /nfs/dbraw/zinc/32/35/77/306323577.db2.gz BMVPMLLKLBDLGM-INIZCTEOSA-N 2 0 331.460 1.438 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000563211208 306323868 /nfs/dbraw/zinc/32/38/68/306323868.db2.gz RHRDVAASYWLEMG-SJORKVTESA-N 2 0 336.524 1.441 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000357940884 283061542 /nfs/dbraw/zinc/06/15/42/283061542.db2.gz GYORADQFHQKXRZ-INIZCTEOSA-N 2 0 336.524 1.393 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000342723766 291049392 /nfs/dbraw/zinc/04/93/92/291049392.db2.gz BBVKOWWUXAESCO-CVEARBPZSA-N 2 0 339.480 1.237 20 0 EDADRP O=C(CCc1c[nH]cn1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000281224210 540075839 /nfs/dbraw/zinc/07/58/39/540075839.db2.gz OMIWVHFJTGBXCD-FUHWJXTLSA-N 2 0 342.443 1.342 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000563559454 306338859 /nfs/dbraw/zinc/33/88/59/306338859.db2.gz LAXBHYMAEXGREJ-OAHLLOKOSA-N 2 0 340.537 1.789 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000563563012 306339196 /nfs/dbraw/zinc/33/91/96/306339196.db2.gz FRXFFXLVEZUYSX-SJORKVTESA-N 2 0 333.480 1.012 20 0 EDADRP CC[C@H](CSC)[N@H+](C)CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000091100034 138282004 /nfs/dbraw/zinc/28/20/04/138282004.db2.gz AJKQVMGTEZDDOC-HZPDHXFCSA-N 2 0 345.553 1.533 20 0 EDADRP CC[NH2+]CCCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000563584632 306339939 /nfs/dbraw/zinc/33/99/39/306339939.db2.gz SSSAFIHCVIAUAG-QGZVFWFLSA-N 2 0 334.464 1.052 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CCC3OCCO3)CC2)C[C@H](C)O1 ZINC000124579365 138327903 /nfs/dbraw/zinc/32/79/03/138327903.db2.gz WOIQDPKCHWYTOJ-IYBDPMFKSA-N 2 0 326.481 1.961 20 0 EDADRP COc1cc(OC)c(C[NH2+][C@@H](C)CCN2CCOCC2)c(OC)c1 ZINC000124216371 138324884 /nfs/dbraw/zinc/32/48/84/138324884.db2.gz DKHGQDSWWMUIFQ-AWEZNQCLSA-N 2 0 338.448 1.913 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)[C@@H]1C ZINC000354335001 291120770 /nfs/dbraw/zinc/12/07/70/291120770.db2.gz PMSPNWDZJLNCKC-QZWWFDLISA-N 2 0 326.481 1.791 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(C)c1 ZINC000564651341 306362084 /nfs/dbraw/zinc/36/20/84/306362084.db2.gz INGPTAJEFMLJMX-IBGZPJMESA-N 2 0 349.519 1.659 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)CN1CCOCC1 ZINC000564722817 306363658 /nfs/dbraw/zinc/36/36/58/306363658.db2.gz SMGBVNRXFNNCRX-LJQANCHMSA-N 2 0 333.476 1.065 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000564831006 306366028 /nfs/dbraw/zinc/36/60/28/306366028.db2.gz YQUCEUBQKOCESN-ZBFHGGJFSA-N 2 0 342.447 1.195 20 0 EDADRP CC(C)CC[C@@H](O)C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000564848594 306367355 /nfs/dbraw/zinc/36/73/55/306367355.db2.gz MZDDFIXYBWYUPA-QGZVFWFLSA-N 2 0 341.540 2.000 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000072826292 216312753 /nfs/dbraw/zinc/31/27/53/216312753.db2.gz AQASSJFQMIMMJM-UHFFFAOYSA-N 2 0 347.507 1.298 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262669261 296068717 /nfs/dbraw/zinc/06/87/17/296068717.db2.gz MCQZONIVMDILSV-BZSNNMDCSA-N 2 0 335.492 1.478 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000370773235 296069079 /nfs/dbraw/zinc/06/90/79/296069079.db2.gz NQMODOIBVNVTRD-JQHSSLGASA-N 2 0 335.492 1.620 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1c1ccccc1F ZINC000566209078 306403815 /nfs/dbraw/zinc/40/38/15/306403815.db2.gz OILLYCIUVLQOEV-JENIJYKNSA-N 2 0 339.414 1.966 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000414698004 304128900 /nfs/dbraw/zinc/12/89/00/304128900.db2.gz HIHZHJDFIRTDMW-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(C[C@@H](O)COc3ccccc3)CC2)CC[NH2+]1 ZINC000414705389 304130193 /nfs/dbraw/zinc/13/01/93/304130193.db2.gz WYXWSIDHNMDPBJ-CEXWTWQISA-N 2 0 347.503 1.432 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000414710956 304131435 /nfs/dbraw/zinc/13/14/35/304131435.db2.gz SHGRZICFPSLTRI-JKSUJKDBSA-N 2 0 330.432 1.088 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414731735 304134268 /nfs/dbraw/zinc/13/42/68/304134268.db2.gz AQGZQKDMYWLQKC-RBSFLKMASA-N 2 0 346.475 1.881 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414740830 304135590 /nfs/dbraw/zinc/13/55/90/304135590.db2.gz LRUFLJUISLWXFM-UHFFFAOYSA-N 2 0 346.475 1.664 20 0 EDADRP C[C@@H]([NH2+]CCCS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000268930149 296124641 /nfs/dbraw/zinc/12/46/41/296124641.db2.gz SMZDNEPHYONUGF-CQSZACIVSA-N 2 0 328.478 1.712 20 0 EDADRP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)C12CCC2 ZINC000414998296 304149713 /nfs/dbraw/zinc/14/97/13/304149713.db2.gz ZMJZUOVVYYECCM-XJFOESAGSA-N 2 0 335.414 1.616 20 0 EDADRP CC(C)[N@@H+]1CCc2nc(CN[C@@H]3C[NH2+]CCC3(F)F)sc2C1 ZINC000415007576 304149925 /nfs/dbraw/zinc/14/99/25/304149925.db2.gz VCDZPYQEUMCZBC-CYBMUJFWSA-N 2 0 330.448 1.996 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cs1 ZINC000566857591 306430976 /nfs/dbraw/zinc/43/09/76/306430976.db2.gz VEUGQGSBDVXYSY-WCQYABFASA-N 2 0 334.420 1.350 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424189846 296166491 /nfs/dbraw/zinc/16/64/91/296166491.db2.gz LNDTUAGSORBSDT-KFWWJZLASA-N 2 0 331.464 1.338 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000415120094 304161328 /nfs/dbraw/zinc/16/13/28/304161328.db2.gz ILVXHGQJFAZPEZ-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)o1 ZINC000415119958 304161334 /nfs/dbraw/zinc/16/13/34/304161334.db2.gz FOILDBIVPZXTFI-HNNXBMFYSA-N 2 0 341.419 1.865 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415153297 304166155 /nfs/dbraw/zinc/16/61/55/304166155.db2.gz CPJCTRIMGLUFKO-CVEARBPZSA-N 2 0 344.459 1.430 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000415157094 304167296 /nfs/dbraw/zinc/16/72/96/304167296.db2.gz CWLRNHWAKHWPNJ-YSVLISHTSA-N 2 0 344.459 1.588 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000236988826 139037419 /nfs/dbraw/zinc/03/74/19/139037419.db2.gz BQCDLXWFNQLYSS-CRAIPNDOSA-N 2 0 332.492 1.424 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@]3(C)CCCC[NH2+]3)cc2)CC1 ZINC000237215213 139044617 /nfs/dbraw/zinc/04/46/17/139044617.db2.gz NDFUXLZRGHJWJW-HXUWFJFHSA-N 2 0 344.503 1.582 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000567462561 306452820 /nfs/dbraw/zinc/45/28/20/306452820.db2.gz OLACORNWFKMKME-MELADBBJSA-N 2 0 343.518 1.476 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(CN3CCOCC3)cc2)CCC[NH2+]C1 ZINC000237571986 139054389 /nfs/dbraw/zinc/05/43/89/139054389.db2.gz AMUIZUVNKHZIHK-IBGZPJMESA-N 2 0 331.460 1.525 20 0 EDADRP C[C@@H]1CN(c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cn2)C[C@H](C)O1 ZINC000237695715 139058193 /nfs/dbraw/zinc/05/81/93/139058193.db2.gz BAUBFGHZXFDBFW-DVOMOZLQSA-N 2 0 334.464 1.685 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccccc2OCCN2CCOCC2)C1 ZINC000237869662 139062406 /nfs/dbraw/zinc/06/24/06/139062406.db2.gz JOEVKDZODPRLPD-WBVHZDCISA-N 2 0 347.459 1.141 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000238051098 139067725 /nfs/dbraw/zinc/06/77/25/139067725.db2.gz HXWAPCLPGGIKQH-CQSZACIVSA-N 2 0 343.562 1.559 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000567700243 306459538 /nfs/dbraw/zinc/45/95/38/306459538.db2.gz HZDJXXKQZKZLME-PCCBWWKXSA-N 2 0 339.483 1.894 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC([NH3+])CC2)c1 ZINC000415263520 304181039 /nfs/dbraw/zinc/18/10/39/304181039.db2.gz HRPJUVIUPAMUJO-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000567821062 306464480 /nfs/dbraw/zinc/46/44/80/306464480.db2.gz UTEHMIYTSWFIFG-QZTJIDSGSA-N 2 0 346.475 1.573 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CC1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246556183 139112784 /nfs/dbraw/zinc/11/27/84/139112784.db2.gz KRHGIZIOQSKSNA-IOASZLSFSA-N 2 0 334.464 1.312 20 0 EDADRP CC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)COCc2cccc(OC)c2)C1 ZINC000247410855 139148206 /nfs/dbraw/zinc/14/82/06/139148206.db2.gz YZPBFTSRENIYQS-ZWKOTPCHSA-N 2 0 336.476 1.846 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]2)c1 ZINC000415385400 304210769 /nfs/dbraw/zinc/21/07/69/304210769.db2.gz VZBZAADRXUETAV-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000415388764 304211505 /nfs/dbraw/zinc/21/15/05/304211505.db2.gz DJXQKRIQVMASRO-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP CCN1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000248826368 139176681 /nfs/dbraw/zinc/17/66/81/139176681.db2.gz LZLYBDYCLGYMLG-AEFFLSMTSA-N 2 0 330.476 1.854 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@H+]3C[C@@H](C)O[C@H](CO)C3)c2cc1C ZINC000248867271 139178370 /nfs/dbraw/zinc/17/83/70/139178370.db2.gz UCCCLSDSDIWHFX-OAGGEKHMSA-N 2 0 333.432 1.096 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)(N2CCOCC2)C1 ZINC000248989358 139182501 /nfs/dbraw/zinc/18/25/01/139182501.db2.gz MYYLONNYAFOKOH-BMHOQUIDSA-N 2 0 339.524 1.576 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262403164 284786656 /nfs/dbraw/zinc/78/66/56/284786656.db2.gz ZYXOLHLBHWOTOX-MOPGFXCFSA-N 2 0 344.503 1.576 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000253146298 139205379 /nfs/dbraw/zinc/20/53/79/139205379.db2.gz JGVSPFFXICMOEJ-HUUCEWRRSA-N 2 0 345.491 1.782 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)C(C)C ZINC000261604357 139210101 /nfs/dbraw/zinc/21/01/01/139210101.db2.gz ACZBOORPMUZDAY-RLFYNMQTSA-N 2 0 325.497 1.754 20 0 EDADRP C[N@H+](CCc1cccc(NC(=O)C(=O)N[C@H](C[NH3+])C2CC2)c1)C1CC1 ZINC000415453320 304221971 /nfs/dbraw/zinc/22/19/71/304221971.db2.gz MXSPWKOPPMEWFF-QGZVFWFLSA-N 2 0 344.459 1.115 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C2(COC)CC[NH2+]CC2)CC1 ZINC000261743193 139222411 /nfs/dbraw/zinc/22/24/11/139222411.db2.gz TUXNIKCKNUHSQS-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)[C@H]([NH3+])C1CCOCC1)C2 ZINC000261756023 139223499 /nfs/dbraw/zinc/22/34/99/139223499.db2.gz LKSJFJFXCRUHIV-CZUORRHYSA-N 2 0 334.464 1.366 20 0 EDADRP Cc1nn(C)c(C)c1CN1CCN(C(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000261895674 139234813 /nfs/dbraw/zinc/23/48/13/139234813.db2.gz CYVGSYAZLBDJPB-KRWDZBQOSA-N 2 0 345.491 1.071 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000261904227 139235524 /nfs/dbraw/zinc/23/55/24/139235524.db2.gz FMUJQDARXCHIQL-GOSISDBHSA-N 2 0 343.471 1.972 20 0 EDADRP [NH3+][C@H](C(=O)NCc1cccc(C[NH+]2CCCC2)c1)C1CCOCC1 ZINC000261913504 139236500 /nfs/dbraw/zinc/23/65/00/139236500.db2.gz XXQGGZORRKPERF-SFHVURJKSA-N 2 0 331.460 1.653 20 0 EDADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261953878 139239709 /nfs/dbraw/zinc/23/97/09/139239709.db2.gz ZMYPNQUNKVZKJX-CYBMUJFWSA-N 2 0 328.416 1.866 20 0 EDADRP C[C@@]([NH3+])(C(=O)N[C@@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000261988189 139242143 /nfs/dbraw/zinc/24/21/43/139242143.db2.gz QROBACVEPBAIKL-JSGCOSHPSA-N 2 0 326.238 1.477 20 0 EDADRP CCOc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OCC ZINC000262087867 139249774 /nfs/dbraw/zinc/24/97/74/139249774.db2.gz GIXDUIKJRQWZSE-QGZVFWFLSA-N 2 0 333.476 1.964 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1OC ZINC000414981756 250910120 /nfs/dbraw/zinc/91/01/20/250910120.db2.gz BZPIDUYZMPVPAO-BEFAXECRSA-N 2 0 347.459 1.440 20 0 EDADRP COC[C@@]1(CNC(=O)Nc2ccccc2CC[NH+](C)C)CCC[NH2+]1 ZINC000415559857 251013082 /nfs/dbraw/zinc/01/30/82/251013082.db2.gz FIHWELIYMNTBCI-SFHVURJKSA-N 2 0 334.464 1.681 20 0 EDADRP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000262249505 139263452 /nfs/dbraw/zinc/26/34/52/139263452.db2.gz WTLFZFWOKHIBNX-QGZVFWFLSA-N 2 0 347.459 1.663 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417010769 251130229 /nfs/dbraw/zinc/13/02/29/251130229.db2.gz QIMLBMZRHDZEBU-IBGZPJMESA-N 2 0 328.460 1.440 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC2CC[NH2+]CC2)cc1 ZINC000416997734 251123817 /nfs/dbraw/zinc/12/38/17/251123817.db2.gz WBNIGCOEPBLWFL-UHFFFAOYSA-N 2 0 348.491 1.958 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417087394 251140926 /nfs/dbraw/zinc/14/09/26/251140926.db2.gz ZYNVJAWNGPNNJC-ZWKOTPCHSA-N 2 0 330.476 1.826 20 0 EDADRP CCC(CC)(CNC(=O)CNC(=O)C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000262332897 139271057 /nfs/dbraw/zinc/27/10/57/139271057.db2.gz BISVFICZZXMFKN-AWEZNQCLSA-N 2 0 334.464 1.087 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H](C)C1C[NH2+]C1)[NH+]1CCCC1 ZINC000262341109 139271598 /nfs/dbraw/zinc/27/15/98/139271598.db2.gz HWDFZWOGNRUWIV-YOEHRIQHSA-N 2 0 331.460 1.804 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000417542853 251184339 /nfs/dbraw/zinc/18/43/39/251184339.db2.gz FBHHCPSEYVQOIQ-UKRRQHHQSA-N 2 0 326.485 1.173 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417562375 251188582 /nfs/dbraw/zinc/18/85/82/251188582.db2.gz FTMBSQYFQOSLPP-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])c1ccccc1 ZINC000417494121 251178907 /nfs/dbraw/zinc/17/89/07/251178907.db2.gz OYIOWZUGQHBRBL-UXLLHSPISA-N 2 0 336.480 1.731 20 0 EDADRP C[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000417587597 251200308 /nfs/dbraw/zinc/20/03/08/251200308.db2.gz OAAORXMUMWISCJ-DOTOQJQBSA-N 2 0 334.464 1.266 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1F ZINC000417664305 251218673 /nfs/dbraw/zinc/21/86/73/251218673.db2.gz WNQBOGTUUUXVHP-GDBMZVCRSA-N 2 0 334.439 1.638 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@H]1c1cccs1 ZINC000417731065 251246021 /nfs/dbraw/zinc/24/60/21/251246021.db2.gz FGTZJXVKQSBVSP-AIANPOQGSA-N 2 0 348.516 1.992 20 0 EDADRP CC(C)(C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)[C@@H]([NH3+])c1ccccc1 ZINC000417836438 251292004 /nfs/dbraw/zinc/29/20/04/251292004.db2.gz ORSZRWFQBBREFB-IRXDYDNUSA-N 2 0 345.487 1.927 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cn[nH]c1[C@H]1CCC[NH2+]C1 ZINC000417792664 251272630 /nfs/dbraw/zinc/27/26/30/251272630.db2.gz JOALFKGRQFQYGQ-ZDUSSCGKSA-N 2 0 325.416 1.775 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417804924 251276678 /nfs/dbraw/zinc/27/66/78/251276678.db2.gz GWZXPINXFCWPBW-GJZGRUSLSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813890 251280487 /nfs/dbraw/zinc/28/04/87/251280487.db2.gz AMTBHWDDTPBSHW-GDAAHCPNSA-N 2 0 342.487 1.758 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC[NH2+]1 ZINC000418113031 251327266 /nfs/dbraw/zinc/32/72/66/251327266.db2.gz ZMAAVLJKVZHQOF-XGNXJENSSA-N 2 0 348.413 1.795 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CC[NH3+])CCc2ccccc2)C[N@@H+]1C1CC1 ZINC000417858334 251300589 /nfs/dbraw/zinc/30/05/89/251300589.db2.gz PKKMZZZVKQCACU-WBVHZDCISA-N 2 0 330.476 1.825 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000418427579 251368166 /nfs/dbraw/zinc/36/81/66/251368166.db2.gz OHKGNAKJBXIPES-HZPDHXFCSA-N 2 0 328.501 1.502 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000418135076 251338664 /nfs/dbraw/zinc/33/86/64/251338664.db2.gz HIRXSGHTLDFUBE-FUHWJXTLSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418198252 251354946 /nfs/dbraw/zinc/35/49/46/251354946.db2.gz VALBUWKVXNIDFU-QXCFHYIPSA-N 2 0 342.487 1.900 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418306127 251357519 /nfs/dbraw/zinc/35/75/19/251357519.db2.gz JMZVBNXFZYYMGM-CALCHBBNSA-N 2 0 328.460 1.512 20 0 EDADRP O=C(NC[C@@H]1C[C@H](F)CN1Cc1cccs1)NC1CC[NH2+]CC1 ZINC000418305979 251357948 /nfs/dbraw/zinc/35/79/48/251357948.db2.gz JALPECOUQAYXGF-JSGCOSHPSA-N 2 0 340.468 1.712 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000418348087 251361283 /nfs/dbraw/zinc/36/12/83/251361283.db2.gz RAZFSCFKAUVIHZ-GVDBMIGSSA-N 2 0 340.512 1.517 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC[NH2+]CC1 ZINC000418639597 251382697 /nfs/dbraw/zinc/38/26/97/251382697.db2.gz NAVZNGLSFFFOPW-QGZVFWFLSA-N 2 0 346.475 1.189 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262625309 139291085 /nfs/dbraw/zinc/29/10/85/139291085.db2.gz BHIFWESWGFXJPT-DOTOQJQBSA-N 2 0 344.459 1.465 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C[NH2+]CC3CC3)CC2)C[C@H](C)O1 ZINC000262654105 139293409 /nfs/dbraw/zinc/29/34/09/139293409.db2.gz SQUZSYYTHLGXMX-IYBDPMFKSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000262665409 139294596 /nfs/dbraw/zinc/29/45/96/139294596.db2.gz JJMQLYBJJWAQBK-YFHUEUNASA-N 2 0 333.476 1.938 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262665420 139294547 /nfs/dbraw/zinc/29/45/47/139294547.db2.gz JKLUDXKCVUFTJD-KFKAGJAMSA-N 2 0 347.503 1.922 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262651595 139293072 /nfs/dbraw/zinc/29/30/72/139293072.db2.gz RELKWSREVDZEIW-MOPGFXCFSA-N 2 0 344.503 1.438 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420345741 251688778 /nfs/dbraw/zinc/68/87/78/251688778.db2.gz WNQNNFNDOAGYFH-HOTGVXAUSA-N 2 0 344.459 1.436 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000415590260 304234374 /nfs/dbraw/zinc/23/43/74/304234374.db2.gz ZXUFYRFPECCMJI-BHYGNILZSA-N 2 0 344.459 1.273 20 0 EDADRP [NH3+]C[C@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccc2ccccc2c1 ZINC000262731008 139299621 /nfs/dbraw/zinc/29/96/21/139299621.db2.gz HZNGBRKPELXDBF-KRWDZBQOSA-N 2 0 335.411 1.638 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC[NH2+]1 ZINC000262864760 139308950 /nfs/dbraw/zinc/30/89/50/139308950.db2.gz LRVLMAWSLHKZLS-YJBOKZPZSA-N 2 0 330.476 1.304 20 0 EDADRP COC1CC[NH+](C2(CN[C@H](C)C[C@@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000422883121 252010231 /nfs/dbraw/zinc/01/02/31/252010231.db2.gz BPOBZPREASDCPP-IAGOWNOFSA-N 2 0 339.524 1.767 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886491 252012105 /nfs/dbraw/zinc/01/21/05/252012105.db2.gz JERQUVWZTXTMOD-RLFYNMQTSA-N 3 0 332.492 1.599 20 0 EDADRP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422892927 252013182 /nfs/dbraw/zinc/01/31/82/252013182.db2.gz ZTYOZMSJNVQEAG-SNRMKQJTSA-N 2 0 344.503 1.614 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CN[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000422891476 252014159 /nfs/dbraw/zinc/01/41/59/252014159.db2.gz KRXHJTPWPFWMQJ-PXNSSMCTSA-N 2 0 330.520 1.912 20 0 EDADRP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(N3CCOCC3)CCSC2)c2ccccc21 ZINC000422896403 252015844 /nfs/dbraw/zinc/01/58/44/252015844.db2.gz AAROQXMSHFOJOK-SQNIBIBYSA-N 2 0 333.501 1.929 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CC1 ZINC000422785999 251976958 /nfs/dbraw/zinc/97/69/58/251976958.db2.gz QAVIDFBZEHUVDW-OAHLLOKOSA-N 3 0 325.497 1.772 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415602021 304236894 /nfs/dbraw/zinc/23/68/94/304236894.db2.gz QNUIMODDTSQTKR-CQSZACIVSA-N 2 0 332.448 1.117 20 0 EDADRP CC[C@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000423066178 252032096 /nfs/dbraw/zinc/03/20/96/252032096.db2.gz WHFVYLQBWHXKJD-GJZGRUSLSA-N 2 0 336.480 1.751 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423063035 252032215 /nfs/dbraw/zinc/03/22/15/252032215.db2.gz OGALMCFQZAZACA-LSDHHAIUSA-N 2 0 336.480 1.738 20 0 EDADRP CN(CC[NH2+]C1CCC([NH3+])CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000423094336 252036388 /nfs/dbraw/zinc/03/63/88/252036388.db2.gz JXVDNYHBUCPHLX-UHFFFAOYSA-N 2 0 329.441 1.306 20 0 EDADRP C[C@@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000423180963 252043854 /nfs/dbraw/zinc/04/38/54/252043854.db2.gz LAFMKPUABNFQDR-BEFAXECRSA-N 2 0 344.503 1.614 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000423321566 252045807 /nfs/dbraw/zinc/04/58/07/252045807.db2.gz GMCPVIMJBPNCFW-OAHLLOKOSA-N 2 0 331.460 1.891 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCNCC2(F)F)cc1 ZINC000423484425 252055266 /nfs/dbraw/zinc/05/52/66/252055266.db2.gz SQACHNJMWYSTCO-AAEUAGOBSA-N 2 0 347.431 1.490 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422905579 252019089 /nfs/dbraw/zinc/01/90/89/252019089.db2.gz ZHVKNAPAVHAPFE-OFQRWUPVSA-N 2 0 331.460 1.993 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000423897680 252104057 /nfs/dbraw/zinc/10/40/57/252104057.db2.gz OVYAYTGPPBMVKU-MAUKXSAKSA-N 2 0 331.460 1.948 20 0 EDADRP [NH3+][C@@H](CCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000424161037 252149143 /nfs/dbraw/zinc/14/91/43/252149143.db2.gz BDYPSGVORMKJMH-ZWKOTPCHSA-N 2 0 336.524 1.570 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424138585 252137652 /nfs/dbraw/zinc/13/76/52/252137652.db2.gz DHSCYBKJJTUCRJ-LBPRGKRZSA-N 2 0 327.375 1.734 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000424435000 252230111 /nfs/dbraw/zinc/23/01/11/252230111.db2.gz KNPYVILIZOZLJG-UHFFFAOYSA-N 2 0 334.464 1.764 20 0 EDADRP CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1cc(C3CC[NH2+]CC3)no1)CC2 ZINC000425898298 252313834 /nfs/dbraw/zinc/31/38/34/252313834.db2.gz YSQFAWLHZQMFLR-AWEZNQCLSA-N 2 0 344.463 1.961 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)C1 ZINC000346959069 285058652 /nfs/dbraw/zinc/05/86/52/285058652.db2.gz CYLNVILHJQFWNK-CVEARBPZSA-N 2 0 340.512 1.517 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000333862110 296361917 /nfs/dbraw/zinc/36/19/17/296361917.db2.gz QDJCZFUOHABYNF-GJZGRUSLSA-N 2 0 334.464 1.315 20 0 EDADRP COCC[C@]1(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]C1 ZINC000430799075 254515005 /nfs/dbraw/zinc/51/50/05/254515005.db2.gz KIOJUKWSJWWHJH-LJQANCHMSA-N 2 0 345.487 1.218 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646271 255015465 /nfs/dbraw/zinc/01/54/65/255015465.db2.gz ULJJPEZWXWQQJT-HOTGVXAUSA-N 2 0 328.501 1.232 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415784756 304269835 /nfs/dbraw/zinc/26/98/35/304269835.db2.gz JLJIQGFQSAFUFL-CQSZACIVSA-N 2 0 332.448 1.115 20 0 EDADRP CCN(CC(=O)OC(C)(C)C)C1CC(NC(=O)C=Cc2c[nH]cn2)C1 ZINC000492901787 255186850 /nfs/dbraw/zinc/18/68/50/255186850.db2.gz PNZOHUWAQPJVMZ-VOTSOKGWSA-N 2 0 348.447 1.734 20 0 EDADRP CCN(CC(=O)OC(C)(C)C)C1CC(NC(=O)C=Cc2c[nH]cn2)C1 ZINC000492901786 255186857 /nfs/dbraw/zinc/18/68/57/255186857.db2.gz PNZOHUWAQPJVMZ-SREVYHEPSA-N 2 0 348.447 1.734 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCCC[NH+]1CCCC1 ZINC000494182859 255241587 /nfs/dbraw/zinc/24/15/87/255241587.db2.gz NKNVMXRNNBSDSA-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP O=C(Oc1ccccc1)N1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)CC1 ZINC000496159903 255359078 /nfs/dbraw/zinc/35/90/78/255359078.db2.gz KCFUFKRBAAZPGU-QGZVFWFLSA-N 2 0 346.475 1.535 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH2+]1 ZINC000496337853 255383035 /nfs/dbraw/zinc/38/30/35/255383035.db2.gz FFXSXOCZZDCDEN-ILXRZTDVSA-N 2 0 327.469 1.600 20 0 EDADRP CN(C[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496344206 255384043 /nfs/dbraw/zinc/38/40/43/255384043.db2.gz PUJBXMHEESLQCF-MRXNPFEDSA-N 2 0 343.512 1.878 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000358817309 285270469 /nfs/dbraw/zinc/27/04/69/285270469.db2.gz BTWITVGAAQNJLG-CABCVRRESA-N 2 0 340.512 1.022 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(=O)OC ZINC000354453630 285276961 /nfs/dbraw/zinc/27/69/61/285276961.db2.gz XVMDOGJHDRSECT-GJZGRUSLSA-N 2 0 327.469 1.060 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nc(OC)c1 ZINC000337447373 285281226 /nfs/dbraw/zinc/28/12/26/285281226.db2.gz QVXICQZOFJVJKG-KRWDZBQOSA-N 2 0 348.491 1.887 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418408032 285314229 /nfs/dbraw/zinc/31/42/29/285314229.db2.gz MFWHXMHPJDEDRE-HZPDHXFCSA-N 2 0 339.528 1.219 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000338048504 285315093 /nfs/dbraw/zinc/31/50/93/285315093.db2.gz FIFMWBMJMLYOCY-PKOBYXMFSA-N 2 0 338.540 1.641 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000417753078 285319910 /nfs/dbraw/zinc/31/99/10/285319910.db2.gz NXFZEMCVYNMXKI-SJORKVTESA-N 2 0 341.544 1.275 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000155172880 224370617 /nfs/dbraw/zinc/37/06/17/224370617.db2.gz OTFWXXDQBIKJGD-QGZVFWFLSA-N 2 0 330.476 1.327 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](CC(C)C)OC ZINC000416145005 304292177 /nfs/dbraw/zinc/29/21/77/304292177.db2.gz KFZZIRMUWFXFLB-DLBZAZTESA-N 2 0 327.513 1.922 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@@H]2C1 ZINC000416240477 304299736 /nfs/dbraw/zinc/29/97/36/304299736.db2.gz JRPZUJJBTCLESA-RTBURBONSA-N 2 0 343.471 1.366 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NC[C@@](C)(O)C[NH+](C)C)cc1 ZINC000269892275 140013794 /nfs/dbraw/zinc/01/37/94/140013794.db2.gz KSMYXTXPTAXKRX-LJQANCHMSA-N 2 0 335.492 1.961 20 0 EDADRP Cc1cnccc1CCNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000270080649 140043107 /nfs/dbraw/zinc/04/31/07/140043107.db2.gz WZEAWYJUAKMOIT-UHFFFAOYSA-N 2 0 349.523 1.848 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+](C)C ZINC000271223543 140259441 /nfs/dbraw/zinc/25/94/41/140259441.db2.gz BNOSNPNCTZOCBF-HNNXBMFYSA-N 2 0 346.475 1.330 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)(C)N2CCOCC2)cc1 ZINC000271664098 140329924 /nfs/dbraw/zinc/32/99/24/140329924.db2.gz LPVUYGFDZWCKNH-OAHLLOKOSA-N 2 0 349.475 1.573 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000416304711 304307814 /nfs/dbraw/zinc/30/78/14/304307814.db2.gz VGWXNOSZOIOQDC-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C(C)(C)C)[C@@H](O)C2)CC1 ZINC000331360516 141011581 /nfs/dbraw/zinc/01/15/81/141011581.db2.gz XXCBWIKJJVEMBF-CVEARBPZSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000333136163 141270049 /nfs/dbraw/zinc/27/00/49/141270049.db2.gz CIBCIHUWRRZHCL-RDJZCZTQSA-N 2 0 344.459 1.033 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333321984 141299089 /nfs/dbraw/zinc/29/90/89/141299089.db2.gz NCNAUHBXFMROKJ-HOCLYGCPSA-N 2 0 331.464 1.846 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333321985 141299230 /nfs/dbraw/zinc/29/92/30/141299230.db2.gz NCNAUHBXFMROKJ-ZBFHGGJFSA-N 2 0 331.464 1.846 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@H]1[NH3+] ZINC000333417861 141314676 /nfs/dbraw/zinc/31/46/76/141314676.db2.gz SCBNTBIZISNSEB-HZPDHXFCSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000333417859 141314689 /nfs/dbraw/zinc/31/46/89/141314689.db2.gz SCBNTBIZISNSEB-CVEARBPZSA-N 2 0 338.496 1.258 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000333571105 141338710 /nfs/dbraw/zinc/33/87/10/141338710.db2.gz MMCHTQYFRLTGHD-QGZVFWFLSA-N 2 0 338.496 1.461 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000333926219 141411580 /nfs/dbraw/zinc/41/15/80/141411580.db2.gz VGKABDOXTOFQHZ-HSFUPAIVSA-N 2 0 328.460 1.511 20 0 EDADRP Cn1c2ccc(C[NH+]3CCC(OCCC[NH3+])CC3)cc2sc1=O ZINC000339407375 142040132 /nfs/dbraw/zinc/04/01/32/142040132.db2.gz KAAXYIJMMKGAFH-UHFFFAOYSA-N 2 0 335.473 1.930 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)C[C@@H](C)[NH3+])CC2)c1 ZINC000340184150 142295228 /nfs/dbraw/zinc/29/52/28/142295228.db2.gz QASYVQLJAPDANT-QGZVFWFLSA-N 2 0 332.492 1.751 20 0 EDADRP C[C@@H]1[C@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345245950 143069166 /nfs/dbraw/zinc/06/91/66/143069166.db2.gz GAVFWQWLXATBHE-IUODEOHRSA-N 2 0 347.463 1.451 20 0 EDADRP Cc1ccncc1N1CCN(C(=O)NCCCn2ccnc2)CC1 ZINC000345387081 143085036 /nfs/dbraw/zinc/08/50/36/143085036.db2.gz KOPNJRUUOPVKJM-UHFFFAOYSA-N 2 0 328.420 1.508 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H]1[NH+](C)C ZINC000345612539 143112060 /nfs/dbraw/zinc/11/20/60/143112060.db2.gz PIQPMINKFWSNOE-IRXDYDNUSA-N 2 0 345.491 1.002 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000345627262 143114008 /nfs/dbraw/zinc/11/40/08/143114008.db2.gz IOOBLKCGVDRQIH-HZPDHXFCSA-N 2 0 328.501 1.205 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000345682029 143120889 /nfs/dbraw/zinc/12/08/89/143120889.db2.gz AHOMEPNFNWKRJJ-AWEZNQCLSA-N 2 0 329.391 1.268 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000346671582 143229632 /nfs/dbraw/zinc/22/96/32/143229632.db2.gz JYWJWYACTCGPQD-UHFFFAOYSA-N 3 0 329.448 1.906 20 0 EDADRP CCC1(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCOCC1 ZINC000346694175 143232795 /nfs/dbraw/zinc/23/27/95/143232795.db2.gz SINZENMGXAAFRC-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000346915977 143260426 /nfs/dbraw/zinc/26/04/26/143260426.db2.gz RXMIRLVJDOMSSK-BRWVUGGUSA-N 2 0 340.512 1.467 20 0 EDADRP Cc1cccn2c(C[N@@H+]3CCC[C@@H](C(=O)N4CC[NH2+]CC4)C3)cnc12 ZINC000346995556 143269370 /nfs/dbraw/zinc/26/93/70/143269370.db2.gz BZYVIXSPLMAKTJ-MRXNPFEDSA-N 2 0 341.459 1.287 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)C1 ZINC000347049660 143276508 /nfs/dbraw/zinc/27/65/08/143276508.db2.gz NOLHZZSCUUEPAZ-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347099121 143282518 /nfs/dbraw/zinc/28/25/18/143282518.db2.gz KKQYKSTXCXAQFD-AEFFLSMTSA-N 2 0 337.508 1.583 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1(C)CCOCC1 ZINC000347300748 143305529 /nfs/dbraw/zinc/30/55/29/143305529.db2.gz OLXFGQKSKFDZMS-UHFFFAOYSA-N 2 0 342.528 1.718 20 0 EDADRP Cc1nn(C)c(C)c1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000348014862 143391395 /nfs/dbraw/zinc/39/13/95/143391395.db2.gz WAOXABVXXZHIDF-UHFFFAOYSA-N 2 0 337.512 1.311 20 0 EDADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCCCn2ccnc2C)C1 ZINC000348078860 143398362 /nfs/dbraw/zinc/39/83/62/143398362.db2.gz RPDWJZZOSUKNSD-SJORKVTESA-N 2 0 349.479 1.476 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572857656 306601604 /nfs/dbraw/zinc/60/16/04/306601604.db2.gz LSHXDYLLTXPOMS-GOSISDBHSA-N 2 0 331.464 1.346 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369779408 155173562 /nfs/dbraw/zinc/17/35/62/155173562.db2.gz VYNMUCROKPFCFM-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000416800343 304349456 /nfs/dbraw/zinc/34/94/56/304349456.db2.gz FNPQOGRWBWINCC-AEFFLSMTSA-N 2 0 334.464 1.357 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccccc1 ZINC000416840313 304350702 /nfs/dbraw/zinc/35/07/02/304350702.db2.gz LBLFZYCUFPBSBC-IKGGRYGDSA-N 2 0 334.464 1.044 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000417666962 286060648 /nfs/dbraw/zinc/06/06/48/286060648.db2.gz FGUXHURVKJXVSV-ULQDDVLXSA-N 2 0 340.512 1.422 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261927813 286060901 /nfs/dbraw/zinc/06/09/01/286060901.db2.gz KIYVPTSXDXEIHH-IKGGRYGDSA-N 2 0 337.508 1.629 20 0 EDADRP CO[C@H]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](C[NH3+])C1 ZINC000416894265 304353827 /nfs/dbraw/zinc/35/38/27/304353827.db2.gz SDLZVYKCNJYZDF-SJORKVTESA-N 2 0 334.464 1.396 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[C@H]1O ZINC000352667757 149109455 /nfs/dbraw/zinc/10/94/55/149109455.db2.gz NDFITUSCRVTQGZ-RBUKOAKNSA-N 2 0 345.487 1.744 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000353210011 149325186 /nfs/dbraw/zinc/32/51/86/149325186.db2.gz XINTZDSNLGCPNO-SFHVURJKSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416960160 304355681 /nfs/dbraw/zinc/35/56/81/304355681.db2.gz ZNDNZWBEBPHGHZ-XUWVNRHRSA-N 2 0 326.485 1.397 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000353455331 149412807 /nfs/dbraw/zinc/41/28/07/149412807.db2.gz XILWOKBHDZGVMS-FGTMMUONSA-N 2 0 337.508 1.581 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416979349 304360136 /nfs/dbraw/zinc/36/01/36/304360136.db2.gz XBNJFAGXPHKYEZ-UHFFFAOYSA-N 2 0 336.480 1.753 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416977442 304359759 /nfs/dbraw/zinc/35/97/59/304359759.db2.gz PSBZHPBCDMSAHF-GOSISDBHSA-N 2 0 344.503 1.992 20 0 EDADRP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)[C@H](C[NH3+])C1 ZINC000416983601 304361531 /nfs/dbraw/zinc/36/15/31/304361531.db2.gz XKZWEEGKBKGKFE-YJBOKZPZSA-N 2 0 345.491 1.815 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H](C)CC[NH+](C)C)C(C)C ZINC000355265664 150190906 /nfs/dbraw/zinc/19/09/06/150190906.db2.gz NQWSIQKWSZZODE-OAHLLOKOSA-N 2 0 328.501 1.020 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H]2C(C)(C)C)C1 ZINC000355346844 150226342 /nfs/dbraw/zinc/22/63/42/150226342.db2.gz UIRFGLCLUTWXCV-DLBZAZTESA-N 2 0 339.524 1.970 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000355360978 150234000 /nfs/dbraw/zinc/23/40/00/150234000.db2.gz HJKKCTSQYYUDJI-MSOLQXFVSA-N 2 0 331.460 1.683 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000416985928 304361907 /nfs/dbraw/zinc/36/19/07/304361907.db2.gz LIEUPEZGTIDASS-INIZCTEOSA-N 2 0 348.495 1.006 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000573680910 306629479 /nfs/dbraw/zinc/62/94/79/306629479.db2.gz IDCQLQXJLFFAQV-KURKYZTESA-N 2 0 336.524 1.247 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000356224805 150558901 /nfs/dbraw/zinc/55/89/01/150558901.db2.gz OCGJGXQWRQNROG-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP COC[C@]1(CNC(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCC[NH2+]1 ZINC000357285494 150982826 /nfs/dbraw/zinc/98/28/26/150982826.db2.gz KDSZKSYMDIGVMP-LJQANCHMSA-N 2 0 344.459 1.489 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000417064204 304368303 /nfs/dbraw/zinc/36/83/03/304368303.db2.gz ABYKRWHITJELEE-ZJPYXAASSA-N 2 0 328.460 1.750 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC[NH+](C)CC1 ZINC000357734844 151131297 /nfs/dbraw/zinc/13/12/97/151131297.db2.gz WXGOOHFXZQPYHW-GJZGRUSLSA-N 2 0 340.537 1.740 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000417075106 304369893 /nfs/dbraw/zinc/36/98/93/304369893.db2.gz JFWNJYMNEKEXMG-MRXNPFEDSA-N 2 0 331.464 1.834 20 0 EDADRP C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358081320 151263336 /nfs/dbraw/zinc/26/33/36/151263336.db2.gz UUOIVBGBXAWEEQ-ULQDDVLXSA-N 2 0 336.524 1.392 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000417080677 304370939 /nfs/dbraw/zinc/37/09/39/304370939.db2.gz XILFHLJADCYCNZ-MRXNPFEDSA-N 2 0 331.464 1.345 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000358171554 151294448 /nfs/dbraw/zinc/29/44/48/151294448.db2.gz UCCKERYRIRJPQI-SJORKVTESA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000358533683 151409348 /nfs/dbraw/zinc/40/93/48/151409348.db2.gz YQGVNOJUHVADKO-NUJGCVRESA-N 2 0 327.513 1.120 20 0 EDADRP CC[C@@H](CO)[NH+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC1 ZINC000573904268 306637600 /nfs/dbraw/zinc/63/76/00/306637600.db2.gz OUSXNFDAZUHNMB-INIZCTEOSA-N 2 0 348.447 1.089 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H](N3CC[C@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549970 152091128 /nfs/dbraw/zinc/09/11/28/152091128.db2.gz HKJQXQUZAMZYMD-MJGOQNOKSA-N 2 0 345.443 1.495 20 0 EDADRP C[C@@H]([NH2+]CCN1CCOC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361108296 152307594 /nfs/dbraw/zinc/30/75/94/152307594.db2.gz BYCMXKWVKFMNKQ-DLBZAZTESA-N 2 0 335.492 1.998 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)C[C@H]1C[NH3+] ZINC000417156973 304378667 /nfs/dbraw/zinc/37/86/67/304378667.db2.gz MIJZTIWPWVQDAD-NVXWUHKLSA-N 2 0 345.491 1.672 20 0 EDADRP C[C@@H](C(=O)N(C)C)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000370190821 155369840 /nfs/dbraw/zinc/36/98/40/155369840.db2.gz JERKVHNIRRNLAQ-INIZCTEOSA-N 2 0 338.540 1.591 20 0 EDADRP C[C@H](C(=O)N1CCN([C@H]2CCOC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000363940875 153102693 /nfs/dbraw/zinc/10/26/93/153102693.db2.gz QGEYRMNDJHXMBY-APWZRJJASA-N 2 0 343.471 1.366 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000417201602 304384201 /nfs/dbraw/zinc/38/42/01/304384201.db2.gz WSIBFNXPRHFICE-JQHSSLGASA-N 2 0 332.492 1.928 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417248255 304387895 /nfs/dbraw/zinc/38/78/95/304387895.db2.gz BHJWADLKUSZJEU-KYHPRHEASA-N 2 0 340.512 1.421 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000367112338 154011979 /nfs/dbraw/zinc/01/19/79/154011979.db2.gz GLIZBZHUFNSHIJ-TVFCKZIOSA-N 2 0 337.508 1.819 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)ccn2)CC1 ZINC000367588213 154189827 /nfs/dbraw/zinc/18/98/27/154189827.db2.gz LNADKZOVMYSZIT-IPMKNSEASA-N 3 0 343.519 1.796 20 0 EDADRP C[C@@H](NC(=O)NCc1ccccc1OCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000417355807 304394455 /nfs/dbraw/zinc/39/44/55/304394455.db2.gz DWWDCYVYZZFDEZ-CVEARBPZSA-N 2 0 348.491 1.814 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(CC(=O)N(C)c3ccccc3)C2)CC1 ZINC000369406441 155015874 /nfs/dbraw/zinc/01/58/74/155015874.db2.gz JWLLMCGYKJAETP-LJQANCHMSA-N 2 0 344.503 1.750 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cnn(C)c1 ZINC000369424856 155027336 /nfs/dbraw/zinc/02/73/36/155027336.db2.gz VOGMVDGHZKMEMG-HOCLYGCPSA-N 2 0 336.484 1.054 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000417380641 304395736 /nfs/dbraw/zinc/39/57/36/304395736.db2.gz HOBOCIROKJKXEC-MRXNPFEDSA-N 2 0 339.528 1.218 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000369581394 155096775 /nfs/dbraw/zinc/09/67/75/155096775.db2.gz BPYNYWMZXIWNCY-DOTOQJQBSA-N 2 0 338.496 1.101 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000417471608 304398083 /nfs/dbraw/zinc/39/80/83/304398083.db2.gz VQYJLQCWGIKJQE-CVEARBPZSA-N 2 0 328.501 1.646 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000417476251 304398702 /nfs/dbraw/zinc/39/87/02/304398702.db2.gz CTFAHWHBCQYFQQ-MRXNPFEDSA-N 2 0 334.464 1.507 20 0 EDADRP CN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000417477411 304398993 /nfs/dbraw/zinc/39/89/93/304398993.db2.gz GKLLCFIJQNQFHX-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP CCN1CCO[C@H](C(=O)N(C)CC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000372452250 156396880 /nfs/dbraw/zinc/39/68/80/156396880.db2.gz XPTHZBJFJCAXQQ-SFHVURJKSA-N 2 0 346.475 1.477 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000417524020 304402978 /nfs/dbraw/zinc/40/29/78/304402978.db2.gz ITQWNORABKVJIF-INIZCTEOSA-N 2 0 334.464 1.221 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000417545228 304404382 /nfs/dbraw/zinc/40/43/82/304404382.db2.gz IRTFGERGDAZPKA-CQSZACIVSA-N 2 0 326.485 1.175 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000377932589 158032820 /nfs/dbraw/zinc/03/28/20/158032820.db2.gz NFAVEYZGYJFART-YOEHRIQHSA-N 2 0 329.460 1.426 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000378117972 158082593 /nfs/dbraw/zinc/08/25/93/158082593.db2.gz FEAZFQHOHVBGED-BBWFWOEESA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(N2CCCS2(=O)=O)CC1 ZINC000378185146 158103467 /nfs/dbraw/zinc/10/34/67/158103467.db2.gz RKYFAQSTJOUWHU-AXRJEEMOSA-N 2 0 343.537 1.651 20 0 EDADRP COCC[C@]1(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000378212947 158112008 /nfs/dbraw/zinc/11/20/08/158112008.db2.gz XNLDTIRWYIXWQW-LJQANCHMSA-N 2 0 349.475 1.259 20 0 EDADRP C[C@H](C(=O)NC(N)=O)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000378302297 158133660 /nfs/dbraw/zinc/13/36/60/158133660.db2.gz WJLZRZSUUYHIBC-OAHLLOKOSA-N 2 0 344.459 1.558 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000417905788 304429766 /nfs/dbraw/zinc/42/97/66/304429766.db2.gz DBFWTJMIOODYJB-PMPSAXMXSA-N 2 0 326.485 1.037 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000352208721 162052293 /nfs/dbraw/zinc/05/22/93/162052293.db2.gz SFKDTKJNTABUIF-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000352212785 162053369 /nfs/dbraw/zinc/05/33/69/162053369.db2.gz BWRWNOSIENICQV-CVEARBPZSA-N 2 0 328.501 1.326 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000352494670 162210697 /nfs/dbraw/zinc/21/06/97/162210697.db2.gz DRECOUFEPZFDNS-UHFFFAOYSA-N 3 0 338.540 1.816 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418017028 304446770 /nfs/dbraw/zinc/44/67/70/304446770.db2.gz GMWOZJXTLBBNND-OAHLLOKOSA-N 2 0 328.501 1.422 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333747 287023049 /nfs/dbraw/zinc/02/30/49/287023049.db2.gz JQQIAYHIGBBBLV-ZBFHGGJFSA-N 2 0 332.510 1.026 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418190063 304462583 /nfs/dbraw/zinc/46/25/83/304462583.db2.gz IVWXMISIYQGPHY-GOSISDBHSA-N 2 0 349.479 1.211 20 0 EDADRP C[C@@H](CNC(=O)NCC[N@H+](C)C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000074109228 287267537 /nfs/dbraw/zinc/26/75/37/287267537.db2.gz QXOSPHBOPJFUHY-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[N@H+](CCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076951793 287286251 /nfs/dbraw/zinc/28/62/51/287286251.db2.gz AOHHUNOPVZXMRW-UHFFFAOYSA-N 2 0 333.476 1.603 20 0 EDADRP COC(=O)CNC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121901747 287376167 /nfs/dbraw/zinc/37/61/67/287376167.db2.gz ORJBRJWAGXIPPX-OAHLLOKOSA-N 2 0 339.480 1.252 20 0 EDADRP CC(C)[C@@H](C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[NH+](C)C ZINC000121980918 287376495 /nfs/dbraw/zinc/37/64/95/287376495.db2.gz PNCWOJNRDVVYLV-IKGGRYGDSA-N 2 0 325.497 1.457 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424141264 287390894 /nfs/dbraw/zinc/39/08/94/287390894.db2.gz CINYXSDNPOLTQS-RBSFLKMASA-N 2 0 334.468 1.195 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000418359036 304485431 /nfs/dbraw/zinc/48/54/31/304485431.db2.gz RXPWBAYSBCOAAX-DLBZAZTESA-N 2 0 334.464 1.569 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000122211264 222037647 /nfs/dbraw/zinc/03/76/47/222037647.db2.gz UOZIFBVDNXJOFZ-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638067522 452369974 /nfs/dbraw/zinc/36/99/74/452369974.db2.gz DRMVHUOJBJRMGR-HOCLYGCPSA-N 2 0 325.478 1.626 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)C[NH2+]C[C@@H]3CCCO3)CC2)nc1 ZINC000237619175 273011252 /nfs/dbraw/zinc/01/12/52/273011252.db2.gz DOIGPESHSINXTJ-INIZCTEOSA-N 2 0 332.448 1.244 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CCN(Cc2cccs2)CC1)c1cnn(C)c1 ZINC000273349676 268032191 /nfs/dbraw/zinc/03/21/91/268032191.db2.gz YFGNSPABUVCSHH-CQSZACIVSA-N 2 0 347.488 1.477 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000275932563 268384872 /nfs/dbraw/zinc/38/48/72/268384872.db2.gz KRDYYNJSFGURLA-ZWKOTPCHSA-N 2 0 330.476 1.989 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000276120656 268398574 /nfs/dbraw/zinc/39/85/74/268398574.db2.gz GJVDECVVDCTBPW-UHFFFAOYSA-N 2 0 330.476 1.852 20 0 EDADRP O=C(NC1CC1)N[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000273973977 273063757 /nfs/dbraw/zinc/06/37/57/273063757.db2.gz KCQLAPZDYWCYPJ-INIZCTEOSA-N 2 0 325.416 1.908 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275727683 273122774 /nfs/dbraw/zinc/12/27/74/273122774.db2.gz WVKSTBVLAZKCAY-QGZVFWFLSA-N 2 0 348.491 1.711 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@H](C[NH3+])OC)cc1 ZINC000278231326 273255109 /nfs/dbraw/zinc/25/51/09/273255109.db2.gz KKGCLRFYWWBOKX-QGZVFWFLSA-N 2 0 337.464 1.387 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(N2CCC(C[NH+](C)C)CC2)cc1 ZINC000278244831 273256452 /nfs/dbraw/zinc/25/64/52/273256452.db2.gz LWVDDJNPKMNWAM-SFHVURJKSA-N 2 0 348.491 1.767 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[N@H+]2CC=CCC2)[NH+](C)C)c1 ZINC000279754204 273323703 /nfs/dbraw/zinc/32/37/03/273323703.db2.gz YJZHNNMMVLBAEL-GOSISDBHSA-N 2 0 346.475 1.859 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)/C=C/C=C/C(=O)N[C@@H](C)CC[NH+](C)C ZINC000280766840 273395867 /nfs/dbraw/zinc/39/58/67/273395867.db2.gz BKYLRSYVPACXGA-ZUAWWFKISA-N 2 0 338.496 1.012 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c2ccccc2)CC1 ZINC000269230484 276199473 /nfs/dbraw/zinc/19/94/73/276199473.db2.gz CTORYYKPQJXBHK-RCCFBDPRSA-N 2 0 331.460 1.299 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[NH+](C2CCOCC2)CC1)C1CC1 ZINC000369523855 276345918 /nfs/dbraw/zinc/34/59/18/276345918.db2.gz YFOMNVSEIALVIA-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](C)C[NH+]2CCCCCC2)C1 ZINC000361469765 277226325 /nfs/dbraw/zinc/22/63/25/277226325.db2.gz NKZFCLUVFBWAIO-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)C1 ZINC000416008916 277391553 /nfs/dbraw/zinc/39/15/53/277391553.db2.gz ODZGURKDVOJPFO-STQMWFEESA-N 2 0 338.418 1.933 20 0 EDADRP C[NH2+]CCC(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000286319992 287981049 /nfs/dbraw/zinc/98/10/49/287981049.db2.gz YIYCGQQOLVFBKP-QGZVFWFLSA-N 2 0 345.491 1.052 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000373886619 278260951 /nfs/dbraw/zinc/26/09/51/278260951.db2.gz UKWMFIJVKGOUKO-WMZOPIPTSA-N 2 0 336.524 1.536 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000262385775 278472757 /nfs/dbraw/zinc/47/27/57/278472757.db2.gz MAPCUAAXVDXAGE-GJZGRUSLSA-N 2 0 325.522 1.852 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347912310 278784247 /nfs/dbraw/zinc/78/42/47/278784247.db2.gz UKUYSRQSCSTVFL-UHFFFAOYSA-N 2 0 347.507 1.637 20 0 EDADRP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000496345788 279033698 /nfs/dbraw/zinc/03/36/98/279033698.db2.gz OFAYLXHMRPLIGB-RRFJBIMHSA-N 2 0 329.485 1.725 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000352207978 279108059 /nfs/dbraw/zinc/10/80/59/279108059.db2.gz GYFWSGUZFWPRQY-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1ccccc1 ZINC000159118845 279145917 /nfs/dbraw/zinc/14/59/17/279145917.db2.gz VEFVOMNJBYMNBO-MSOLQXFVSA-N 2 0 333.476 1.954 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363230947 279160611 /nfs/dbraw/zinc/16/06/11/279160611.db2.gz NNFFORBLRSKVOS-MRXNPFEDSA-N 2 0 335.496 1.829 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000348108192 279320556 /nfs/dbraw/zinc/32/05/56/279320556.db2.gz JUNLBTGBXCYLAA-YESZJQIVSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCCSC1 ZINC000361916395 279328954 /nfs/dbraw/zinc/32/89/54/279328954.db2.gz QCCCVTUGOCZDJH-HOTGVXAUSA-N 2 0 342.553 1.940 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1(C)C ZINC000458959101 279329055 /nfs/dbraw/zinc/32/90/55/279329055.db2.gz UETHYTCTTWXEPB-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000349758487 288162362 /nfs/dbraw/zinc/16/23/62/288162362.db2.gz OCQCCRLOEHRJDW-INMHGKMJSA-N 2 0 338.496 1.364 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000419668106 280277846 /nfs/dbraw/zinc/27/78/46/280277846.db2.gz TURHBOWXJIVJQG-OAHLLOKOSA-N 2 0 340.512 1.056 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000181941720 280360904 /nfs/dbraw/zinc/36/09/04/280360904.db2.gz AIDKEZHGNMYCKD-ZJIFWQFVSA-N 2 0 338.496 1.098 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728979 282038129 /nfs/dbraw/zinc/03/81/29/282038129.db2.gz BNBQMMFAJMCLGL-ROUUACIJSA-N 2 0 344.503 1.902 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000290030707 288825291 /nfs/dbraw/zinc/82/52/91/288825291.db2.gz RVZSAJFAHOMWSE-RLFYNMQTSA-N 2 0 333.476 1.754 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000290067655 288832935 /nfs/dbraw/zinc/83/29/35/288832935.db2.gz VWOJVOGEVCVEBR-ZFWWWQNUSA-N 2 0 335.448 1.513 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000291682668 289149267 /nfs/dbraw/zinc/14/92/67/289149267.db2.gz RLBJKGMUQDSGQB-LJQANCHMSA-N 2 0 330.476 1.985 20 0 EDADRP Cc1cncc(CCC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000292168306 289280000 /nfs/dbraw/zinc/28/00/00/289280000.db2.gz GDWPZINHDDOJPJ-UHFFFAOYSA-N 2 0 332.492 1.807 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(CC2(CN3CCC[C@@H]([NH+](C)C)C3)COC2)C1 ZINC000247856645 289296385 /nfs/dbraw/zinc/29/63/85/289296385.db2.gz YHGTZZREYRWXEP-QZTJIDSGSA-N 2 0 338.540 1.055 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1cccc(NC(=O)/C=C/C[NH+](C)C)c1 ZINC000292549206 289378511 /nfs/dbraw/zinc/37/85/11/289378511.db2.gz QSHRBNYXXFKPGW-JMQWPVDRSA-N 2 0 330.432 1.799 20 0 EDADRP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000364115564 295222335 /nfs/dbraw/zinc/22/23/35/295222335.db2.gz ZJBXPSFZLZKRHO-DLBZAZTESA-N 2 0 337.508 1.903 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333884843 295246986 /nfs/dbraw/zinc/24/69/86/295246986.db2.gz WYJYMMDTKQHKHQ-LUKYLMHMSA-N 2 0 338.496 1.432 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000167395002 295295479 /nfs/dbraw/zinc/29/54/79/295295479.db2.gz QHJSRZYZNSOIMF-MSOLQXFVSA-N 2 0 331.460 1.127 20 0 EDADRP O=C(C[NH2+][C@@H]1CCCC[C@@H]1OC(F)F)NC1CC[NH+](C2CC2)CC1 ZINC000337422840 295521397 /nfs/dbraw/zinc/52/13/97/295521397.db2.gz RMVAIMXHIJNKGP-CABCVRRESA-N 2 0 345.434 1.869 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000418514615 304506782 /nfs/dbraw/zinc/50/67/82/304506782.db2.gz WZYHISYIYVABTF-OAHLLOKOSA-N 2 0 342.871 1.478 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459135 297251772 /nfs/dbraw/zinc/25/17/72/297251772.db2.gz PCGAAAZOJCIREY-PMPSAXMXSA-N 2 0 341.496 1.990 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)C1 ZINC000418601752 304517365 /nfs/dbraw/zinc/51/73/65/304517365.db2.gz LXSJDPDWIISYPU-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)(CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[NH+]1CCCCC1 ZINC000418834004 304537242 /nfs/dbraw/zinc/53/72/42/304537242.db2.gz LNRYTYBEFXHPMW-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419119391 304566842 /nfs/dbraw/zinc/56/68/42/304566842.db2.gz PAHJROQYWWYEFP-MRXNPFEDSA-N 2 0 340.512 1.055 20 0 EDADRP O[C@@H](COc1ccccc1)CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420308613 304747497 /nfs/dbraw/zinc/74/74/97/304747497.db2.gz CWIICJNIJGRIGG-QZTJIDSGSA-N 2 0 333.476 1.044 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420320225 304751278 /nfs/dbraw/zinc/75/12/78/304751278.db2.gz BBHQPBMUFSKBFW-FZMWSMFESA-N 2 0 337.508 1.708 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000419642834 447315181 /nfs/dbraw/zinc/31/51/81/447315181.db2.gz GDRNCFYYZNGCRZ-ZBFHGGJFSA-N 2 0 348.491 1.332 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000422040975 447321518 /nfs/dbraw/zinc/32/15/18/447321518.db2.gz SVEZXKXPTXVLSD-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000664720327 453348240 /nfs/dbraw/zinc/34/82/40/453348240.db2.gz LFZFRNYURGMICE-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(C[NH+](C)C)cc3)[C@H]2C1 ZINC000293972741 303046381 /nfs/dbraw/zinc/04/63/81/303046381.db2.gz UVYLKQHGOPRVPY-ZWKOTPCHSA-N 2 0 331.460 1.683 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294115028 303065012 /nfs/dbraw/zinc/06/50/12/303065012.db2.gz OPGOZKGGVPNUSD-FUHWJXTLSA-N 3 0 345.491 1.227 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H]4C[NH2+]C[C@H]4C3)ccc21 ZINC000294728748 303140003 /nfs/dbraw/zinc/14/00/03/303140003.db2.gz DDDBZUGLOYFHFL-IRXDYDNUSA-N 2 0 326.444 1.672 20 0 EDADRP Cc1ccnc(CNC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)c1 ZINC000297188065 303370225 /nfs/dbraw/zinc/37/02/25/303370225.db2.gz BWDASBXAGQVWGC-UHFFFAOYSA-N 2 0 333.480 1.557 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C[NH2+]C)c2)CC1 ZINC000414856411 447330696 /nfs/dbraw/zinc/33/06/96/447330696.db2.gz AARBMTZRGRHFLG-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@H+](C)C2CC2)c1 ZINC000414888135 447344935 /nfs/dbraw/zinc/34/49/35/447344935.db2.gz XRIRZIOBZPYVRL-ZDUSSCGKSA-N 2 0 332.448 1.334 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000414882931 447342373 /nfs/dbraw/zinc/34/23/73/447342373.db2.gz SOXVCVRVNRNMPQ-BBRMVZONSA-N 2 0 332.448 1.635 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([NH2+][C@@H](C)CCCC[NH3+])C2=O)c1 ZINC000422919227 304880296 /nfs/dbraw/zinc/88/02/96/304880296.db2.gz JGSZBUYYCIMROZ-SUMWQHHRSA-N 2 0 335.448 1.916 20 0 EDADRP COc1ccc(COCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422996045 304882449 /nfs/dbraw/zinc/88/24/49/304882449.db2.gz SBGDAEQZSZXULS-GBESFXJTSA-N 2 0 334.460 1.959 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)CCC[NH3+] ZINC000423113476 304886957 /nfs/dbraw/zinc/88/69/57/304886957.db2.gz UGTKJGXCMPXMAL-LBPRGKRZSA-N 2 0 333.885 1.644 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278788 304890996 /nfs/dbraw/zinc/89/09/96/304890996.db2.gz RODKNBGUQJPGSQ-OLZOCXBDSA-N 2 0 342.281 1.979 20 0 EDADRP C[C@@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(CO)c1 ZINC000423375052 304893657 /nfs/dbraw/zinc/89/36/57/304893657.db2.gz CSJAFEOFXWLGAF-DOMZBBRYSA-N 2 0 331.382 1.666 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)[C@H]1CCC[NH2+]CC1)C(C)C ZINC000423714911 304905410 /nfs/dbraw/zinc/90/54/10/304905410.db2.gz YJGJVOWQUCIVSJ-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP CO[C@H](C[NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757028 304908921 /nfs/dbraw/zinc/90/89/21/304908921.db2.gz MANPRNPUCQBWJI-MRXNPFEDSA-N 2 0 339.867 1.738 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)c2)CC1 ZINC000423950771 304920520 /nfs/dbraw/zinc/92/05/20/304920520.db2.gz JBTWJWZYNCWDIH-KRWDZBQOSA-N 2 0 332.492 1.537 20 0 EDADRP CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@@H](C[NH3+])C1CC1 ZINC000423954864 304920911 /nfs/dbraw/zinc/92/09/11/304920911.db2.gz RYHIGJLKGNINEA-SFHVURJKSA-N 2 0 330.476 1.243 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424035371 304925625 /nfs/dbraw/zinc/92/56/25/304925625.db2.gz FPAMCAGKKNNIBD-IRXDYDNUSA-N 3 0 330.476 1.224 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2CN(S(C)(=O)=O)C2)CC1 ZINC000427989015 305003108 /nfs/dbraw/zinc/00/31/08/305003108.db2.gz RDBCYUQXPHEJRM-RHSMWYFYSA-N 2 0 343.537 1.511 20 0 EDADRP C[C@@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430586505 305057318 /nfs/dbraw/zinc/05/73/18/305057318.db2.gz SZYHNDDUGDIGJO-PCKAHOCUSA-N 2 0 325.497 1.900 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430606916 305058392 /nfs/dbraw/zinc/05/83/92/305058392.db2.gz XPKQFHMNDWLXLK-CQSZACIVSA-N 2 0 349.475 1.721 20 0 EDADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(C)c1 ZINC000430632411 305060483 /nfs/dbraw/zinc/06/04/83/305060483.db2.gz XKCULBGHUCMGDM-JKSUJKDBSA-N 2 0 346.475 1.417 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[NH+]1CCCC1 ZINC000430840713 305065811 /nfs/dbraw/zinc/06/58/11/305065811.db2.gz YKIPUCFYMRKBAM-RDJZCZTQSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)cc2)CC[NH2+]C1 ZINC000430873422 305066572 /nfs/dbraw/zinc/06/65/72/305066572.db2.gz SLQAPJCMCGWKTO-BEFAXECRSA-N 2 0 344.459 1.322 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430928145 305068705 /nfs/dbraw/zinc/06/87/05/305068705.db2.gz SPLIPDYBEAELDV-CQSZACIVSA-N 2 0 349.475 1.640 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC(=O)Nc2cccc(C)c2C)CC1 ZINC000430950126 305070189 /nfs/dbraw/zinc/07/01/89/305070189.db2.gz GDOSRGUJNFPHHC-UHFFFAOYSA-N 2 0 332.448 1.883 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCCOC2CCCCC2)CC1 ZINC000430966857 305071491 /nfs/dbraw/zinc/07/14/91/305071491.db2.gz QJUDVWLXPZLHFO-HNNXBMFYSA-N 2 0 325.497 1.901 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000433112329 305100466 /nfs/dbraw/zinc/10/04/66/305100466.db2.gz AAKPLNRHQLDPTH-UHFFFAOYSA-N 2 0 349.866 1.807 20 0 EDADRP Cc1cccc(N(CCC(N)=O)C(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433112816 305100618 /nfs/dbraw/zinc/10/06/18/305100618.db2.gz AORLSQRTVLFHJA-UHFFFAOYSA-N 2 0 346.475 1.407 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc2c(c1)OCCO2 ZINC000433131948 305101372 /nfs/dbraw/zinc/10/13/72/305101372.db2.gz LITFQJPNKOHCTJ-AWEZNQCLSA-N 2 0 347.459 1.838 20 0 EDADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000433395209 305107771 /nfs/dbraw/zinc/10/77/71/305107771.db2.gz PZNHNWZGMFEWPE-HOTGVXAUSA-N 2 0 338.496 1.437 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433458683 305110016 /nfs/dbraw/zinc/11/00/16/305110016.db2.gz IGWKKRMEIGODDN-MRXNPFEDSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1cc(NC(=O)C[C@H]2CSCC[NH2+]2)n(C2CC[NH+](C)CC2)n1 ZINC000434881005 305132267 /nfs/dbraw/zinc/13/22/67/305132267.db2.gz RPGVEIBRPNHMAM-ZDUSSCGKSA-N 2 0 337.493 1.492 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000436051383 305151369 /nfs/dbraw/zinc/15/13/69/305151369.db2.gz AVVZWWDSWDLWJU-QGZVFWFLSA-N 2 0 331.460 1.484 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436236236 305154643 /nfs/dbraw/zinc/15/46/43/305154643.db2.gz FCQCRDXLUAVLBW-CYBMUJFWSA-N 2 0 347.488 1.815 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000436481906 305158500 /nfs/dbraw/zinc/15/85/00/305158500.db2.gz FSGYVYYYLUCHRA-MOPGFXCFSA-N 2 0 346.519 1.678 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443066170 305234399 /nfs/dbraw/zinc/23/43/99/305234399.db2.gz DMZNDKDYDUBGNE-LSDHHAIUSA-N 2 0 349.475 1.942 20 0 EDADRP CC[NH+]1C[C@H](C)N(CC(O)CN2C[C@H](C)[N@H+](CC)C[C@@H]2C)C[C@@H]1C ZINC000447316136 305278107 /nfs/dbraw/zinc/27/81/07/305278107.db2.gz WECARWZHNXHBFB-XSLAGTTESA-N 2 0 340.556 1.176 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@H]3C2)CC1 ZINC000451721798 305364573 /nfs/dbraw/zinc/36/45/73/305364573.db2.gz ZBROJWCACWPRAF-SOLBZPMBSA-N 2 0 337.508 1.458 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000452099622 305382762 /nfs/dbraw/zinc/38/27/62/305382762.db2.gz CTHYGJZYQHZCLN-MRXNPFEDSA-N 2 0 339.505 1.851 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C(C)(C)C ZINC000458409972 447350508 /nfs/dbraw/zinc/35/05/08/447350508.db2.gz MSQZULGUQAXDCB-JKSUJKDBSA-N 2 0 342.528 1.499 20 0 EDADRP O=C1CC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[C@@H]([C@H]2CCCO2)N1 ZINC000425896968 447353835 /nfs/dbraw/zinc/35/38/35/447353835.db2.gz RSVTXSJLPMCHBG-LESCRADOSA-N 2 0 348.447 1.057 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cn(C)nc1C ZINC000448854377 447353981 /nfs/dbraw/zinc/35/39/81/447353981.db2.gz UTYXLYZRYUEDAZ-KRWDZBQOSA-N 2 0 335.496 1.146 20 0 EDADRP C[N@H+]1CC=C(C[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000419695043 447354173 /nfs/dbraw/zinc/35/41/73/447354173.db2.gz REYHUZYMQDQRRZ-UHFFFAOYSA-N 2 0 329.853 1.339 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)C2CC3CC(C2)CC1C3 ZINC000516167975 305734503 /nfs/dbraw/zinc/73/45/03/305734503.db2.gz XILGIEIIDIKOEH-PTKSYQAQSA-N 2 0 346.519 1.781 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc(C#N)cc2[N+](=O)[O-])CC1 ZINC000519408945 305768569 /nfs/dbraw/zinc/76/85/69/305768569.db2.gz OQPCRMHOMQVCNH-UHFFFAOYSA-N 2 0 345.447 1.972 20 0 EDADRP Cc1ccc(CSCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000519815931 305775581 /nfs/dbraw/zinc/77/55/81/305775581.db2.gz ARJBJOYRLCWYGA-SFHVURJKSA-N 2 0 337.533 1.426 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414932674 447362145 /nfs/dbraw/zinc/36/21/45/447362145.db2.gz DCQQFFNBAYFCDW-DOMZBBRYSA-N 2 0 330.432 1.086 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000449121992 447362195 /nfs/dbraw/zinc/36/21/95/447362195.db2.gz JUWPGILXYPWMRP-HOTGVXAUSA-N 2 0 325.497 1.581 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000529335032 305910035 /nfs/dbraw/zinc/91/00/35/305910035.db2.gz OMGVJTGRBRRMDG-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1c1ccccc1 ZINC000530405851 305939863 /nfs/dbraw/zinc/93/98/63/305939863.db2.gz OJQVUDNWCPAVCG-IEBWSBKVSA-N 2 0 346.519 1.853 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@H]2C)c1 ZINC000414944101 447366822 /nfs/dbraw/zinc/36/68/22/447366822.db2.gz NJLUIYDJYDHATP-CJNGLKHVSA-N 2 0 332.448 1.189 20 0 EDADRP CCC[C@H]1CN(C(=O)CCN(C)c2cc[nH+]cc2)CC[N@@H+]1CCOC ZINC000540927776 306041862 /nfs/dbraw/zinc/04/18/62/306041862.db2.gz CTYPFNUNCQRKOJ-SFHVURJKSA-N 2 0 348.491 1.867 20 0 EDADRP CN(CCC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)c1cc[nH+]cc1 ZINC000543714164 306067566 /nfs/dbraw/zinc/06/75/66/306067566.db2.gz KRUVINSSZKYJBI-QGZVFWFLSA-N 2 0 334.464 1.261 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1coc(COC)n1 ZINC000547518437 306103197 /nfs/dbraw/zinc/10/31/97/306103197.db2.gz IVXULMYWHVPAJP-CQSZACIVSA-N 2 0 338.452 1.309 20 0 EDADRP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1)N1CCSCC1 ZINC000553340696 306184434 /nfs/dbraw/zinc/18/44/34/306184434.db2.gz SRPFILAOSJODEU-AWEZNQCLSA-N 3 0 349.504 1.209 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000557133933 306224690 /nfs/dbraw/zinc/22/46/90/306224690.db2.gz HIFHMJJJGDARMS-OWCLPIDISA-N 2 0 326.485 1.160 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+]2CCC[C@H]2C1)CCC(F)(F)F ZINC000426006870 447377564 /nfs/dbraw/zinc/37/75/64/447377564.db2.gz HPPDVRKYVIPCHD-ZDUSSCGKSA-N 2 0 336.402 1.750 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cc1 ZINC000414975890 447382209 /nfs/dbraw/zinc/38/22/09/447382209.db2.gz OQEDLFUOIHMFLX-ZDUSSCGKSA-N 2 0 334.464 1.437 20 0 EDADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@@]2(C)CC[NH2+]C2)n1 ZINC000415113610 447390325 /nfs/dbraw/zinc/39/03/25/447390325.db2.gz WSIFNGCRVDMTSH-ZQIUZPCESA-N 2 0 336.459 1.049 20 0 EDADRP CN(C(=O)c1ccc2[nH]cnc2c1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378145558 447404042 /nfs/dbraw/zinc/40/40/42/447404042.db2.gz STDKZDOJAYJSRG-INIZCTEOSA-N 2 0 341.459 1.803 20 0 EDADRP CN([C@H](C[NH3+])C(F)(F)F)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000663308383 453763682 /nfs/dbraw/zinc/76/36/82/453763682.db2.gz ANCVSFUTIJSMDA-GFCCVEGCSA-N 2 0 339.383 1.258 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)c1ccccc1 ZINC000419797527 447418884 /nfs/dbraw/zinc/41/88/84/447418884.db2.gz UHFMWWREBJAWCB-INIZCTEOSA-N 2 0 346.475 1.183 20 0 EDADRP CN(C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000419803530 447423066 /nfs/dbraw/zinc/42/30/66/447423066.db2.gz DZRHQJKQSNXUDY-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C1 ZINC000415436406 447438179 /nfs/dbraw/zinc/43/81/79/447438179.db2.gz KAKBPWSFWHZDIS-HOCLYGCPSA-N 2 0 346.475 1.315 20 0 EDADRP C[C@H](CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+](C)C1CC1 ZINC000105262718 441245660 /nfs/dbraw/zinc/24/56/60/441245660.db2.gz BKMUPNMXXFRFGF-HUUCEWRRSA-N 2 0 338.496 1.364 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]CC3CC[NH+](CCN(C)C)CC3)cc12 ZINC000105450928 441256255 /nfs/dbraw/zinc/25/62/55/441256255.db2.gz QGDAKHPPHVPAQQ-UHFFFAOYSA-N 2 0 344.507 1.640 20 0 EDADRP Cc1nc(-c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)n[nH]1 ZINC000073428176 441316724 /nfs/dbraw/zinc/31/67/24/441316724.db2.gz JQZUSRDGDMDSKH-UHFFFAOYSA-N 2 0 344.463 1.346 20 0 EDADRP C[NH+](C)CCC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000085820447 441452286 /nfs/dbraw/zinc/45/22/86/441452286.db2.gz RPCXUWNAZSGEAH-INIZCTEOSA-N 2 0 331.526 1.322 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000108590994 441467053 /nfs/dbraw/zinc/46/70/53/441467053.db2.gz DMFSHSLJTAJQND-QGZVFWFLSA-N 2 0 338.496 1.082 20 0 EDADRP COC(=O)N1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000089144862 441527051 /nfs/dbraw/zinc/52/70/51/441527051.db2.gz FCMOPLRUVGYNJV-HUUCEWRRSA-N 2 0 327.469 1.696 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000088390980 441506599 /nfs/dbraw/zinc/50/65/99/441506599.db2.gz RAOSXNJNIGPNHZ-UHFFFAOYSA-N 2 0 348.451 1.633 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961714 441605054 /nfs/dbraw/zinc/60/50/54/441605054.db2.gz XPWAVGKAMKTGGR-RTBURBONSA-N 2 0 345.487 1.470 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000067685766 441667040 /nfs/dbraw/zinc/66/70/40/441667040.db2.gz QBMKNGFHRNUTDJ-IRXDYDNUSA-N 2 0 340.512 1.373 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000158604567 441748021 /nfs/dbraw/zinc/74/80/21/441748021.db2.gz CUPAVOYMTXTFAU-UHFFFAOYSA-N 2 0 344.503 1.916 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000173489402 441768109 /nfs/dbraw/zinc/76/81/09/441768109.db2.gz UACRPYLCOCGYCF-YESZJQIVSA-N 2 0 340.512 1.467 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CCCC1 ZINC000068415868 441793053 /nfs/dbraw/zinc/79/30/53/441793053.db2.gz ZPYMFQXSCYKUNJ-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1Cc2ccccc2O1 ZINC000077775847 441859156 /nfs/dbraw/zinc/85/91/56/441859156.db2.gz UKWHCCUMGKPYAI-INIZCTEOSA-N 2 0 334.464 1.125 20 0 EDADRP Cc1noc(C)c1[C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077829553 441872839 /nfs/dbraw/zinc/87/28/39/441872839.db2.gz WYXFDMOENXMIOM-LBPRGKRZSA-N 2 0 325.457 1.487 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC1 ZINC000077662688 441824903 /nfs/dbraw/zinc/82/49/03/441824903.db2.gz PWWSHKWOOLZKEY-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+](CC(=O)Nc1ccc(Br)cn1)CC1CC[NH2+]CC1 ZINC000094024337 441901948 /nfs/dbraw/zinc/90/19/48/441901948.db2.gz OGSYRMTVIMZOGP-UHFFFAOYSA-N 2 0 341.253 1.714 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc(O)c(F)c1 ZINC000077839276 441875922 /nfs/dbraw/zinc/87/59/22/441875922.db2.gz NXUAPOJOKZBUPM-UHFFFAOYSA-N 2 0 326.416 1.166 20 0 EDADRP O=C(CN1CC[C@H](C[NH+]2CCCC2)C1)NC(=O)NCc1ccco1 ZINC000150825596 441957542 /nfs/dbraw/zinc/95/75/42/441957542.db2.gz FIZGFGJRGGRDQB-CQSZACIVSA-N 2 0 334.420 1.023 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCCCCO)CC1 ZINC000120320824 442049764 /nfs/dbraw/zinc/04/97/64/442049764.db2.gz IEMOWEMTTNEEAT-UHFFFAOYSA-N 2 0 339.524 1.853 20 0 EDADRP CN1CCN(C(=O)/C=C/c2cccc(C(F)(F)F)c2)[C@@H](C[NH3+])C1 ZINC000162577165 442105534 /nfs/dbraw/zinc/10/55/34/442105534.db2.gz FIYJYWYTJVVFRS-GJBLVYBDSA-N 2 0 327.350 1.820 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000127428153 442201362 /nfs/dbraw/zinc/20/13/62/442201362.db2.gz SVAOZBUEILMTCL-RDJZCZTQSA-N 2 0 345.491 1.388 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000165969944 442212226 /nfs/dbraw/zinc/21/22/26/442212226.db2.gz RYXMQWANZIILMS-AYHJJNSGSA-N 2 0 336.524 1.297 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000167415186 442221001 /nfs/dbraw/zinc/22/10/01/442221001.db2.gz VCDOBYRKPFTMQR-QZTJIDSGSA-N 2 0 345.487 1.777 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000168940398 442225149 /nfs/dbraw/zinc/22/51/49/442225149.db2.gz QMLDHTDKRKIJFV-IBGZPJMESA-N 2 0 347.503 1.880 20 0 EDADRP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168913151 442225163 /nfs/dbraw/zinc/22/51/63/442225163.db2.gz DBWRBNGKKYNQHD-FXAWDEMLSA-N 2 0 331.504 1.900 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000168848973 442225593 /nfs/dbraw/zinc/22/55/93/442225593.db2.gz ASRRPZZIXFUWDB-AWEZNQCLSA-N 2 0 329.510 1.218 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000152574694 442227961 /nfs/dbraw/zinc/22/79/61/442227961.db2.gz FYVWEZBDXCNVSJ-HKUYNNGSSA-N 2 0 333.476 1.470 20 0 EDADRP COC[C@@H](Cc1ccccc1)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000128071424 442242692 /nfs/dbraw/zinc/24/26/92/442242692.db2.gz MLUIRKOZHURKFS-ZWKOTPCHSA-N 2 0 333.476 1.421 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651565 442280085 /nfs/dbraw/zinc/28/00/85/442280085.db2.gz RDANIYHFQJIWEP-SJORKVTESA-N 2 0 345.491 1.193 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)C[C@@H](C)O1 ZINC000171034494 442301810 /nfs/dbraw/zinc/30/18/10/442301810.db2.gz AXOFLUZAQVIKLR-ZACQAIPSSA-N 2 0 338.496 1.365 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000154676278 442351115 /nfs/dbraw/zinc/35/11/15/442351115.db2.gz ISZDZKMSVUHLJF-UHFFFAOYSA-N 2 0 340.512 1.207 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000171122697 442315938 /nfs/dbraw/zinc/31/59/38/442315938.db2.gz LOUZAIHWDCZVJK-JYJNAYRXSA-N 2 0 325.497 1.865 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CC(C)(C)N1CCOCC1 ZINC000155339634 442388451 /nfs/dbraw/zinc/38/84/51/442388451.db2.gz FUWRFTFEGXAOLO-SQNIBIBYSA-N 2 0 339.524 1.576 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000155755725 442424842 /nfs/dbraw/zinc/42/48/42/442424842.db2.gz ZAPZORFFSDZEFQ-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CCCCN2CCOCC2)C1 ZINC000178645009 442451488 /nfs/dbraw/zinc/45/14/88/442451488.db2.gz FGSJXSGAZHZFJX-SFHVURJKSA-N 2 0 339.524 1.973 20 0 EDADRP CC[C@@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156960425 442536731 /nfs/dbraw/zinc/53/67/31/442536731.db2.gz RKHVRLSECXAKPF-ROUUACIJSA-N 2 0 333.476 1.899 20 0 EDADRP O=C1[C@@H](N2CC[NH+](CC3CC[NH2+]CC3)CC2)CCN1c1ccccc1 ZINC000178973007 442541902 /nfs/dbraw/zinc/54/19/02/442541902.db2.gz YKXFNBCSBKAULY-IBGZPJMESA-N 2 0 342.487 1.409 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000157279519 442566877 /nfs/dbraw/zinc/56/68/77/442566877.db2.gz VKDJEIQYWFKVGX-ZDUSSCGKSA-N 2 0 328.507 1.258 20 0 EDADRP CNc1cc(N2CCC[C@H]2C[NH2+]C2CC[NH+](C(C)C)CC2)ncn1 ZINC000180630488 442637928 /nfs/dbraw/zinc/63/79/28/442637928.db2.gz ZYZIWPGWYQLXBL-INIZCTEOSA-N 2 0 332.496 1.950 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)c1ccsc1 ZINC000187907622 442697490 /nfs/dbraw/zinc/69/74/90/442697490.db2.gz MFCXLLFQJDQHAJ-RRFJBIMHSA-N 2 0 325.478 1.624 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)Nc2ccc(CC[NH+]3CCSCC3)cc2)C1 ZINC000187937912 442698621 /nfs/dbraw/zinc/69/86/21/442698621.db2.gz GDLRHYHXMHDASG-DLBZAZTESA-N 2 0 349.500 1.593 20 0 EDADRP Cn1c2ccc(C[NH2+]CCCC[N@@H+]3CCC[C@@H]3CO)cc2sc1=O ZINC000192576357 442665179 /nfs/dbraw/zinc/66/51/79/442665179.db2.gz JVYMKOCUSPIEJC-OAHLLOKOSA-N 2 0 349.500 1.927 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCCOCC1 ZINC000181845440 442719381 /nfs/dbraw/zinc/71/93/81/442719381.db2.gz ZKTYVKQBSVKXGB-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP O=C(c1[nH]nc2c1C[NH2+]CC2)N1CC[NH+](CC2CCCCC2)CC1 ZINC000188710040 442794436 /nfs/dbraw/zinc/79/44/36/442794436.db2.gz YULPLITVABLOMO-UHFFFAOYSA-N 2 0 331.464 1.394 20 0 EDADRP C[C@H]1CN(C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000188716013 442795894 /nfs/dbraw/zinc/79/58/94/442795894.db2.gz ZWUDCYWWKIGXAV-INIZCTEOSA-N 2 0 333.476 1.422 20 0 EDADRP C[C@@H](CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[NH+]1CCCCC1 ZINC000182651454 442800898 /nfs/dbraw/zinc/80/08/98/442800898.db2.gz NLDMXMZLYKBLGN-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000182683429 442806231 /nfs/dbraw/zinc/80/62/31/442806231.db2.gz WRDFTCXOCZIYJQ-HNNXBMFYSA-N 2 0 326.462 1.294 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)CSC ZINC000246310989 442771320 /nfs/dbraw/zinc/77/13/20/442771320.db2.gz NQGHEOZQSDOABZ-CABCVRRESA-N 2 0 330.542 1.795 20 0 EDADRP CCOCCNC(=O)CN1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000246403378 442780203 /nfs/dbraw/zinc/78/02/03/442780203.db2.gz LBZBWWIEKSWQOO-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000265577305 442830611 /nfs/dbraw/zinc/83/06/11/442830611.db2.gz XRCXXPXNCFIASI-KRWDZBQOSA-N 2 0 330.476 1.116 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188796691 442816906 /nfs/dbraw/zinc/81/69/06/442816906.db2.gz CJYBDDFIXGKSMN-ZWKOTPCHSA-N 2 0 348.466 1.011 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000247413739 442852554 /nfs/dbraw/zinc/85/25/54/442852554.db2.gz JQOBYFDXKRQEJL-CVEARBPZSA-N 2 0 341.496 1.822 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1 ZINC000265639419 442856862 /nfs/dbraw/zinc/85/68/62/442856862.db2.gz UQCIWDCMVSIDKK-LSDHHAIUSA-N 2 0 340.493 1.371 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148205 442870605 /nfs/dbraw/zinc/87/06/05/442870605.db2.gz UDWOFVGFYQJGGZ-YJBOKZPZSA-N 2 0 330.476 1.900 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000247464003 442855049 /nfs/dbraw/zinc/85/50/49/442855049.db2.gz RCVQJZYFXANYGN-HZPDHXFCSA-N 2 0 328.501 1.374 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000248600020 442905037 /nfs/dbraw/zinc/90/50/37/442905037.db2.gz UUIOEEZIUXHCJC-NTDBWNAOSA-N 2 0 339.524 1.874 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1nncs1 ZINC000195118838 442984295 /nfs/dbraw/zinc/98/42/95/442984295.db2.gz NOWGNLHGXVHGJT-LBPRGKRZSA-N 2 0 326.470 1.418 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC[C@H]1O ZINC000249585761 442991523 /nfs/dbraw/zinc/99/15/23/442991523.db2.gz SXSBGXFAIDQHQB-VQIMIIECSA-N 2 0 345.487 1.601 20 0 EDADRP COC(=O)C[C@H]1CCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000184605957 443048449 /nfs/dbraw/zinc/04/84/49/443048449.db2.gz QDNIIQJTBONPAA-IAGOWNOFSA-N 2 0 347.459 1.433 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000189884387 443023352 /nfs/dbraw/zinc/02/33/52/443023352.db2.gz PKJYRACRMMCWIY-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184582021 443043469 /nfs/dbraw/zinc/04/34/69/443043469.db2.gz OSLWDLRXZZOHPR-SZMVWBNQSA-N 2 0 333.476 1.641 20 0 EDADRP Cc1nc(C)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc1C ZINC000184879063 443090891 /nfs/dbraw/zinc/09/08/91/443090891.db2.gz MOAOLVTZIHMNDL-UHFFFAOYSA-N 2 0 335.496 1.747 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000190166669 443066180 /nfs/dbraw/zinc/06/61/80/443066180.db2.gz VNZLIWIVTCHBRS-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000185086037 443133686 /nfs/dbraw/zinc/13/36/86/443133686.db2.gz GNPVTTYKDVMCSJ-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP COc1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000299537142 318911622 /nfs/dbraw/zinc/91/16/22/318911622.db2.gz IFQSSHOVTVJKMF-UHFFFAOYSA-N 2 0 328.420 1.504 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000268936146 443152462 /nfs/dbraw/zinc/15/24/62/443152462.db2.gz YQXQGWDWPZFIIZ-ATZDWAIDSA-N 2 0 328.460 1.954 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000261616920 443161090 /nfs/dbraw/zinc/16/10/90/443161090.db2.gz FLVWLKNSPRETHU-GOSISDBHSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000262674857 443207342 /nfs/dbraw/zinc/20/73/42/443207342.db2.gz RHDPIPFFXILAMM-IKGGRYGDSA-N 2 0 337.508 1.629 20 0 EDADRP CCCNC(=O)CCC[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000411222289 319170874 /nfs/dbraw/zinc/17/08/74/319170874.db2.gz NTKQEJPLBSQOFK-ROUUACIJSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)Cc2ccccc2C1 ZINC000266817963 443254772 /nfs/dbraw/zinc/25/47/72/443254772.db2.gz XFJKXTXJLSMAJY-KRWDZBQOSA-N 2 0 330.476 1.479 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)c1 ZINC000414188397 319318350 /nfs/dbraw/zinc/31/83/50/319318350.db2.gz QQKBATOEXHMFCG-LSDHHAIUSA-N 2 0 339.505 1.977 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(Cc3cccs3)CC2)C1 ZINC000414674728 319339729 /nfs/dbraw/zinc/33/97/29/319339729.db2.gz FBNXVZGSGCCUGE-OAHLLOKOSA-N 2 0 336.505 1.063 20 0 EDADRP COc1ccc(CCC[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000415081096 319345900 /nfs/dbraw/zinc/34/59/00/319345900.db2.gz KACSYVNPYCIMDQ-MRXNPFEDSA-N 2 0 349.475 1.423 20 0 EDADRP COc1cc(C)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C)n1 ZINC000415129840 319347194 /nfs/dbraw/zinc/34/71/94/319347194.db2.gz PWODHMUUWPMMMZ-HNNXBMFYSA-N 2 0 330.436 1.594 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415997741 319388346 /nfs/dbraw/zinc/38/83/46/319388346.db2.gz SBZFUJXRVBFZRO-QWHCGFSZSA-N 2 0 332.370 1.868 20 0 EDADRP CC[C@@H]1CN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@@H+]1C[C@@H](C)O ZINC000416153353 319392468 /nfs/dbraw/zinc/39/24/68/319392468.db2.gz CFWNPBMSFCDBSF-BHIYHBOVSA-N 2 0 347.503 1.983 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000416172823 319398180 /nfs/dbraw/zinc/39/81/80/319398180.db2.gz YNKYNJXYGOLKAG-MJGOQNOKSA-N 2 0 345.487 1.860 20 0 EDADRP Cc1cc(C)n2c(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cnc2n1 ZINC000185870466 443273084 /nfs/dbraw/zinc/27/30/84/443273084.db2.gz IQBXESQHAGXGRN-CQSZACIVSA-N 2 0 330.480 1.462 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000267009410 443312732 /nfs/dbraw/zinc/31/27/32/443312732.db2.gz CXHZFCUAMRTSKA-UHFFFAOYSA-N 2 0 348.491 1.577 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C2CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000278471484 443342031 /nfs/dbraw/zinc/34/20/31/443342031.db2.gz NULZUKSNNXNLNJ-CYBMUJFWSA-N 2 0 337.489 1.859 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Br)cn1 ZINC000266946382 443299020 /nfs/dbraw/zinc/29/90/20/443299020.db2.gz SMRXAGUWNYYPHQ-UHFFFAOYSA-N 2 0 341.297 1.913 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]CCN2C(=O)c3ccccc3C2=O)C1 ZINC000278624824 443382193 /nfs/dbraw/zinc/38/21/93/443382193.db2.gz GDLRYAVUVJFBPX-OAHLLOKOSA-N 2 0 329.444 1.993 20 0 EDADRP C[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000420368273 319611453 /nfs/dbraw/zinc/61/14/53/319611453.db2.gz HXRFFEKHKVACHI-LBPRGKRZSA-N 2 0 327.375 1.761 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420385302 319614159 /nfs/dbraw/zinc/61/41/59/319614159.db2.gz HJOGEAIRWJDCFT-DLBZAZTESA-N 2 0 325.497 1.853 20 0 EDADRP CCCCCNC(=O)[C@H](C)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396880 319615943 /nfs/dbraw/zinc/61/59/43/319615943.db2.gz WQBBDIYHDMHLIV-XIRDDKMYSA-N 2 0 325.497 1.900 20 0 EDADRP Cc1nn(C)cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264930951 443481240 /nfs/dbraw/zinc/48/12/40/443481240.db2.gz XYVYCXISZPATKD-UHFFFAOYSA-N 2 0 342.447 1.066 20 0 EDADRP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423326994 319765137 /nfs/dbraw/zinc/76/51/37/319765137.db2.gz KXPQXCUMIULYAW-AWEZNQCLSA-N 2 0 339.505 1.977 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cc1 ZINC000423327164 319765138 /nfs/dbraw/zinc/76/51/38/319765138.db2.gz CXYVPAJKHOEOJO-HUUCEWRRSA-N 2 0 339.505 1.977 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)c1ccsc1 ZINC000423341605 319765354 /nfs/dbraw/zinc/76/53/54/319765354.db2.gz WPSQMYMZMJPEST-SWLSCSKDSA-N 2 0 347.488 1.971 20 0 EDADRP C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000423359409 319766116 /nfs/dbraw/zinc/76/61/16/319766116.db2.gz PDPYQCGWASSRKU-CABCVRRESA-N 2 0 333.480 1.727 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C[C@H]2COCC[NH2+]2)cc1 ZINC000423890759 319824551 /nfs/dbraw/zinc/82/45/51/319824551.db2.gz IWIIVYBNOUQFRU-FUHWJXTLSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000272329904 443593772 /nfs/dbraw/zinc/59/37/72/443593772.db2.gz VMOVUNHGALTSRL-YJBOKZPZSA-N 2 0 330.476 1.243 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C(=O)NCC[NH+](C)C ZINC000440632587 320075570 /nfs/dbraw/zinc/07/55/70/320075570.db2.gz COAQQIWSJNZHNH-LBPRGKRZSA-N 2 0 349.401 1.611 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]3C[C@@]34CC[NH2+]C4)CC2)C[C@H](C)O1 ZINC000444272056 320124322 /nfs/dbraw/zinc/12/43/22/320124322.db2.gz WBLVUGMTXBLDQY-WBQJQJEBSA-N 2 0 349.519 1.724 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)cc2)CC1 ZINC000449754748 320205237 /nfs/dbraw/zinc/20/52/37/320205237.db2.gz RNLKQBFFCYWABL-KRWDZBQOSA-N 2 0 330.476 1.304 20 0 EDADRP CC[C@H]1CN(C(=O)C2C[NH+](C3CCCCC3)C2)CC[N@@H+]1C[C@@H](C)O ZINC000457614817 320331114 /nfs/dbraw/zinc/33/11/14/320331114.db2.gz MJLMBQQOVYYLRN-WBVHZDCISA-N 2 0 337.508 1.555 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000458667618 320338254 /nfs/dbraw/zinc/33/82/54/320338254.db2.gz PHFDNYXKMNAYMW-SFHVURJKSA-N 2 0 340.512 1.472 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000458668971 320338410 /nfs/dbraw/zinc/33/84/10/320338410.db2.gz PWYRULKTVQDHLD-UHFFFAOYSA-N 2 0 333.436 1.492 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458698205 320338808 /nfs/dbraw/zinc/33/88/08/320338808.db2.gz AGUHSFAPHXNPMC-RDJZCZTQSA-N 2 0 338.496 1.149 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@@H](C)O1 ZINC000514606232 320429474 /nfs/dbraw/zinc/42/94/74/320429474.db2.gz VGSZWFGYVKBITI-MDZRGWNJSA-N 2 0 345.487 1.879 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccccc1-n1ccnn1 ZINC000286363314 443698644 /nfs/dbraw/zinc/69/86/44/443698644.db2.gz ZHQAUXZXMWYRSV-JKSUJKDBSA-N 2 0 328.464 1.554 20 0 EDADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)c1ccnc(C[NH3+])c1 ZINC000517235028 320447534 /nfs/dbraw/zinc/44/75/34/320447534.db2.gz BKHSUVMLQTWSPB-ZDUSSCGKSA-N 2 0 345.472 1.557 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)N1CC[NH+](C)CC1 ZINC000525980700 320496078 /nfs/dbraw/zinc/49/60/78/320496078.db2.gz CZXMJQTXAIIXDN-WBVHZDCISA-N 2 0 345.553 1.061 20 0 EDADRP C[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)CN1CC[NH+](C)CC1 ZINC000280864506 443761703 /nfs/dbraw/zinc/76/17/03/443761703.db2.gz MELMSVQSVPGACC-MRXNPFEDSA-N 2 0 345.466 1.985 20 0 EDADRP O=C1[C@H]([NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000530240405 320616979 /nfs/dbraw/zinc/61/69/79/320616979.db2.gz LKGXLZFZWJQZAC-RBUKOAKNSA-N 2 0 343.471 1.882 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000285055709 443839701 /nfs/dbraw/zinc/83/97/01/443839701.db2.gz BRBCXXQAAQMDKS-AEFFLSMTSA-N 2 0 347.459 1.172 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293013041 443902216 /nfs/dbraw/zinc/90/22/16/443902216.db2.gz HQCUYAJHZYONBD-BEFAXECRSA-N 2 0 338.467 1.754 20 0 EDADRP CCC[C@@]1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000285426461 443980010 /nfs/dbraw/zinc/98/00/10/443980010.db2.gz DXLXSTRWPMIFOT-IEBWSBKVSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000285703016 444079015 /nfs/dbraw/zinc/07/90/15/444079015.db2.gz CEWYFUUIPFCKHI-NXHRZFHOSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000561215814 321036726 /nfs/dbraw/zinc/03/67/26/321036726.db2.gz HARMOMOMTZPCKO-IAGOWNOFSA-N 2 0 349.523 1.106 20 0 EDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000562457034 321058734 /nfs/dbraw/zinc/05/87/34/321058734.db2.gz RJFURAJSISHAHK-ZWNOBZJWSA-N 2 0 349.859 1.297 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000562763435 321075429 /nfs/dbraw/zinc/07/54/29/321075429.db2.gz AHDPZUQAYPJECI-MRXNPFEDSA-N 2 0 342.447 1.453 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000563075148 321094003 /nfs/dbraw/zinc/09/40/03/321094003.db2.gz YHPXHRKZOHYTLO-KSSFIOAISA-N 2 0 331.460 1.258 20 0 EDADRP O=C(C[NH2+][C@@H]1CCc2sc(Br)cc21)N1CC[NH2+]CC1 ZINC000564823242 321150058 /nfs/dbraw/zinc/15/00/58/321150058.db2.gz WNQAXMNOMUETID-SNVBAGLBSA-N 2 0 344.278 1.519 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000567983710 321271169 /nfs/dbraw/zinc/27/11/69/321271169.db2.gz OSOSEMYQLGHTNJ-RBUKOAKNSA-N 2 0 344.503 1.622 20 0 EDADRP CCn1ccnc1CN(C(=O)CC[NH2+]C(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000568395948 321289832 /nfs/dbraw/zinc/28/98/32/321289832.db2.gz IRESUIYLDDOODI-MRXNPFEDSA-N 2 0 347.507 1.762 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)CC(F)(F)F)cc2)CC1 ZINC000568991220 321313639 /nfs/dbraw/zinc/31/36/39/321313639.db2.gz NMTIDQSUVXEDBB-INIZCTEOSA-N 2 0 345.409 1.837 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1)[C@H]1CCC[NH2+]C1 ZINC000570039478 321335514 /nfs/dbraw/zinc/33/55/14/321335514.db2.gz XNYUBXPPOBMFSB-HOTGVXAUSA-N 2 0 345.491 1.798 20 0 EDADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)[C@@H](C)C[N@@H+]1CCO ZINC000571031743 321368626 /nfs/dbraw/zinc/36/86/26/321368626.db2.gz WSJJCGNOIKIIEX-OZSLIKBDSA-N 2 0 338.496 1.098 20 0 EDADRP c1ncn(CCN2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000285854729 444130177 /nfs/dbraw/zinc/13/01/77/444130177.db2.gz IGVCJVNUWIPFIM-LJQANCHMSA-N 2 0 340.475 1.170 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccccc1OCCN1CCOCC1 ZINC000294935764 444160428 /nfs/dbraw/zinc/16/04/28/444160428.db2.gz DNMLJUDKUKGMKX-OAHLLOKOSA-N 2 0 347.459 1.154 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)oc1C ZINC000289527859 444165768 /nfs/dbraw/zinc/16/57/68/444165768.db2.gz VVROUVIGVKOJRX-UHFFFAOYSA-N 2 0 349.475 1.834 20 0 EDADRP Cc1cc(N2CCC(C(=O)NCC[NH+](C)C)CC2)nc(C(C)C)n1 ZINC000301673529 444184403 /nfs/dbraw/zinc/18/44/03/444184403.db2.gz ZYBHZYVUVOBHPM-UHFFFAOYSA-N 2 0 333.480 1.803 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778903 444202129 /nfs/dbraw/zinc/20/21/29/444202129.db2.gz IYHTVTSEMPHCQZ-IRXDYDNUSA-N 2 0 347.459 1.247 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC000290276866 444262333 /nfs/dbraw/zinc/26/23/33/444262333.db2.gz QEJBYMUUYFDDPY-UHFFFAOYSA-N 2 0 345.487 1.914 20 0 EDADRP CC(C)[C@H]1C[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000576921489 321606888 /nfs/dbraw/zinc/60/68/88/321606888.db2.gz AKQMZFKFYDEGTH-IAGOWNOFSA-N 2 0 342.528 1.572 20 0 EDADRP O[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)C[NH+]1CCc2ccccc2C1 ZINC000305331374 444269259 /nfs/dbraw/zinc/26/92/59/444269259.db2.gz NAMSRXGTCYBMOP-SLFFLAALSA-N 2 0 329.488 1.622 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000303450501 444236993 /nfs/dbraw/zinc/23/69/93/444236993.db2.gz CPSAPRJXXNJOGS-GOSISDBHSA-N 2 0 325.497 1.140 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000290103392 444243054 /nfs/dbraw/zinc/24/30/54/444243054.db2.gz IERHOMCXERQZAC-DOTOQJQBSA-N 2 0 331.464 1.406 20 0 EDADRP COCCOCc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000290113663 444243830 /nfs/dbraw/zinc/24/38/30/444243830.db2.gz LHVQOPZTELCIHY-UHFFFAOYSA-N 2 0 349.519 1.965 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+]2CCCC2)C1 ZINC000577485479 321656678 /nfs/dbraw/zinc/65/66/78/321656678.db2.gz FNNIOWPYIHEWOT-AEFFLSMTSA-N 2 0 346.475 1.835 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334894 321759436 /nfs/dbraw/zinc/75/94/36/321759436.db2.gz YNWRFVRCNWQLKV-BBRMVZONSA-N 2 0 328.526 1.501 20 0 EDADRP CSC1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[NH+](C)CC1 ZINC000579690979 321961421 /nfs/dbraw/zinc/96/14/21/321961421.db2.gz NBLVTCPLDQLKDA-CQSZACIVSA-N 2 0 342.553 1.891 20 0 EDADRP CC(C)S(=O)(=O)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000331995057 444494570 /nfs/dbraw/zinc/49/45/70/444494570.db2.gz NBHBZZIHJPFUMW-IAGOWNOFSA-N 2 0 337.489 1.923 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000340663186 444476019 /nfs/dbraw/zinc/47/60/19/444476019.db2.gz GVVMVSDRONQUSN-CYBMUJFWSA-N 2 0 334.464 1.309 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000580410492 322046796 /nfs/dbraw/zinc/04/67/96/322046796.db2.gz PCHRWOYRPAWRGL-OAHLLOKOSA-N 2 0 332.448 1.253 20 0 EDADRP CS[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)C[C@H]1[NH+](C)C ZINC000580568592 322069043 /nfs/dbraw/zinc/06/90/43/322069043.db2.gz KRKILHSUPJZVML-SJORKVTESA-N 2 0 335.517 1.908 20 0 EDADRP CC[NH+]1CCC(CNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000580926647 322112197 /nfs/dbraw/zinc/11/21/97/322112197.db2.gz GVKINYUCKZOPNH-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2cccc3ccccc32)CC1 ZINC000581535701 322188324 /nfs/dbraw/zinc/18/83/24/322188324.db2.gz LRGHMSDFIANZOR-GOSISDBHSA-N 2 0 343.471 1.417 20 0 EDADRP C[C@H]1CCCN1C(=O)CC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000342315572 444626159 /nfs/dbraw/zinc/62/61/59/444626159.db2.gz QJFFJQLHOHGZTN-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333281875 444653901 /nfs/dbraw/zinc/65/39/01/444653901.db2.gz MPZPOFAXXJESQN-KYHPRHEASA-N 2 0 347.507 1.650 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(N2CCCS2(=O)=O)c1 ZINC000329639968 444660316 /nfs/dbraw/zinc/66/03/16/444660316.db2.gz WVAPHUIFGCZXFS-RHSMWYFYSA-N 2 0 337.489 1.656 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000333890628 444709615 /nfs/dbraw/zinc/70/96/15/444709615.db2.gz YDCGZNATZZYLRO-ATNYBXOESA-N 2 0 349.500 1.689 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]1 ZINC000333910938 444716539 /nfs/dbraw/zinc/71/65/39/444716539.db2.gz DZQCHHMBJPZIHQ-GJZGRUSLSA-N 2 0 340.537 1.788 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000341189602 444719377 /nfs/dbraw/zinc/71/93/77/444719377.db2.gz DLYSGQWUPIZJPK-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1CCOC ZINC000344005330 444722731 /nfs/dbraw/zinc/72/27/31/444722731.db2.gz FDJCZSXXBPMWGB-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000333946517 444725738 /nfs/dbraw/zinc/72/57/38/444725738.db2.gz USEDECSVEFXNTC-OAGGEKHMSA-N 2 0 340.512 1.421 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000341238807 444744302 /nfs/dbraw/zinc/74/43/02/444744302.db2.gz JOVODUCOXCWTIP-LZQZEXGQSA-N 2 0 344.503 1.941 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000344091837 444776770 /nfs/dbraw/zinc/77/67/70/444776770.db2.gz FBDAHPQXWBRAIN-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000338787515 444851813 /nfs/dbraw/zinc/85/18/13/444851813.db2.gz SMLCLEXACMLATD-GEEKYZPCSA-N 2 0 332.496 1.534 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000338822542 444871593 /nfs/dbraw/zinc/87/15/93/444871593.db2.gz BMCVYOHGTQCYLZ-IBGZPJMESA-N 2 0 349.519 1.964 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000337321026 445032495 /nfs/dbraw/zinc/03/24/95/445032495.db2.gz IZLFSAPVVWZPNX-RTBURBONSA-N 2 0 342.487 1.971 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H](S(C)(=O)=O)C2)CC1 ZINC000337450055 445086736 /nfs/dbraw/zinc/08/67/36/445086736.db2.gz DWNYXNQCMWHMCT-KRWDZBQOSA-N 2 0 345.553 1.302 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C3CCOCC3)C2)CC1 ZINC000339460822 445144749 /nfs/dbraw/zinc/14/47/49/445144749.db2.gz JRPAMTJODBEOLZ-PKOBYXMFSA-N 2 0 349.519 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c(C)nn(C)c1C ZINC000337573306 445145359 /nfs/dbraw/zinc/14/53/59/445145359.db2.gz FOWXVUVPWCTTDD-MRXNPFEDSA-N 2 0 335.496 1.525 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]1C1CC1 ZINC000339580587 445151446 /nfs/dbraw/zinc/15/14/46/445151446.db2.gz KGCFXONAEIZEMX-ROUUACIJSA-N 2 0 328.460 1.756 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)CC1 ZINC000345693152 445196608 /nfs/dbraw/zinc/19/66/08/445196608.db2.gz OZGJUMJIRVDMSU-NVXWUHKLSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[C@H]1CN(C(=O)NCC[NH+](C)[C@@H](C)CC)CC[N@@H+]1CCOC ZINC000347073575 445230980 /nfs/dbraw/zinc/23/09/80/445230980.db2.gz RRAALPKNOZHSCT-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000343497834 445234206 /nfs/dbraw/zinc/23/42/06/445234206.db2.gz SGJKLUVJHOLZAL-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@H+](C)C1 ZINC000343579506 445249472 /nfs/dbraw/zinc/24/94/72/445249472.db2.gz JWQKFBBGOTVTBB-IAGOWNOFSA-N 2 0 334.464 1.931 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@H+](C)C1 ZINC000343579507 445249819 /nfs/dbraw/zinc/24/98/19/445249819.db2.gz JWQKFBBGOTVTBB-SJORKVTESA-N 2 0 334.464 1.931 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)CCC[N@@H+]1C ZINC000343599084 445257739 /nfs/dbraw/zinc/25/77/39/445257739.db2.gz JIHGEVSZEOZWMW-QAPCUYQASA-N 2 0 330.476 1.827 20 0 EDADRP CC(=O)NCCC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000348200572 445314366 /nfs/dbraw/zinc/31/43/66/445314366.db2.gz SIJAIRODPPNZNQ-UHFFFAOYSA-N 2 0 348.491 1.275 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+]1CCCC[C@H]1C ZINC000348206441 445315490 /nfs/dbraw/zinc/31/54/90/445315490.db2.gz OZMHMUALYCPVGS-CVEARBPZSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000351788103 445321904 /nfs/dbraw/zinc/32/19/04/445321904.db2.gz YUAVHGFSRNPPBY-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122296 445280132 /nfs/dbraw/zinc/28/01/32/445280132.db2.gz DBPOTILIFYTJDD-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[N@H+](C)C2CC2)C1 ZINC000351790399 445323036 /nfs/dbraw/zinc/32/30/36/445323036.db2.gz PAXJANJKWWGLNV-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000354686222 445340481 /nfs/dbraw/zinc/34/04/81/445340481.db2.gz ZJSTXGLGEZVXDY-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859149 445345059 /nfs/dbraw/zinc/34/50/59/445345059.db2.gz FQABABYACXFNJJ-JKSUJKDBSA-N 2 0 348.466 1.534 20 0 EDADRP Cc1nccn1CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000348756964 445363519 /nfs/dbraw/zinc/36/35/19/445363519.db2.gz RNCGFGWBZCPJLO-IAGOWNOFSA-N 2 0 333.480 1.162 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[N@H+](C)CC23CCCCC3)CC1 ZINC000362478818 445403415 /nfs/dbraw/zinc/40/34/15/445403415.db2.gz HFFUREBVYZCDED-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP c1cc(-c2noc(CN3CC[C@H]4C[NH2+]C[C@@H]4C3)n2)cc2c1OCO2 ZINC000357091758 445422317 /nfs/dbraw/zinc/42/23/17/445422317.db2.gz WWHWXEGXNUIJSL-QWHCGFSZSA-N 2 0 328.372 1.507 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000349006243 445473118 /nfs/dbraw/zinc/47/31/18/445473118.db2.gz UAAZIMBTJHWOMN-KRWDZBQOSA-N 2 0 331.460 1.046 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)CCOC2C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000349011516 445475751 /nfs/dbraw/zinc/47/57/51/445475751.db2.gz YNFPOZMSPQFDCN-SJLPKXTDSA-N 2 0 345.487 1.876 20 0 EDADRP Cn1nnc2cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)ccc21 ZINC000348919343 445440133 /nfs/dbraw/zinc/44/01/33/445440133.db2.gz GFTDFFFXBVBUDX-UHFFFAOYSA-N 2 0 332.496 1.674 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362562414 445440426 /nfs/dbraw/zinc/44/04/26/445440426.db2.gz SPWXPRSHTVPSAC-GJZGRUSLSA-N 2 0 333.480 1.871 20 0 EDADRP Cc1cnc(N2C[C@H](C)[C@H]([NH+](C)C)C2)nc1N1C[C@H]([NH+](C)C)[C@@H](C)C1 ZINC000362560884 445440559 /nfs/dbraw/zinc/44/05/59/445440559.db2.gz PAQQACXZSQUBID-LUKYLMHMSA-N 2 0 346.523 1.558 20 0 EDADRP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C[N@@H+]1C ZINC000355089728 445442424 /nfs/dbraw/zinc/44/24/24/445442424.db2.gz SBTITXUMEGKJKK-RYRKJORJSA-N 2 0 332.492 1.430 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000362564727 445442828 /nfs/dbraw/zinc/44/28/28/445442828.db2.gz NOLWEUXHUAHSLU-OAHLLOKOSA-N 2 0 331.464 1.435 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000355140356 445447282 /nfs/dbraw/zinc/44/72/82/445447282.db2.gz UAVOMUTZDUSIPK-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)C1 ZINC000352039408 445455034 /nfs/dbraw/zinc/45/50/34/445455034.db2.gz FYRRTHYZSMFVEH-SZMVWBNQSA-N 2 0 331.460 1.659 20 0 EDADRP CC(C)N1CC[C@H]([NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1=O ZINC000355550224 445467376 /nfs/dbraw/zinc/46/73/76/445467376.db2.gz GBNIASZUVMBKPV-JZXOWHBKSA-N 2 0 337.508 1.817 20 0 EDADRP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357278393 445521918 /nfs/dbraw/zinc/52/19/18/445521918.db2.gz CSXJUBRUMMCVNE-ZVZYQTTQSA-N 2 0 336.480 1.290 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000359924248 445491160 /nfs/dbraw/zinc/49/11/60/445491160.db2.gz NBGFXBQLBSVPRH-HZPDHXFCSA-N 2 0 342.528 1.593 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000352112066 445500096 /nfs/dbraw/zinc/50/00/96/445500096.db2.gz QCSHVHBDLNXKLB-QUCCMNQESA-N 2 0 347.503 1.860 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000362794783 445552962 /nfs/dbraw/zinc/55/29/62/445552962.db2.gz NWNBLWJSCLSYST-HOTGVXAUSA-N 2 0 331.464 1.508 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000362808588 445559256 /nfs/dbraw/zinc/55/92/56/445559256.db2.gz LCDREXIIDYHYIP-UHFFFAOYSA-N 2 0 345.487 1.933 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000360125544 445581684 /nfs/dbraw/zinc/58/16/84/445581684.db2.gz PLGFSESUXMTRTC-CVEARBPZSA-N 2 0 340.512 1.610 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)CCC1CCC1 ZINC000349513321 445602436 /nfs/dbraw/zinc/60/24/36/445602436.db2.gz IZFOALASTJRVFA-UHFFFAOYSA-N 2 0 331.526 1.464 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000353466741 445614680 /nfs/dbraw/zinc/61/46/80/445614680.db2.gz JDFLDUJCGWEUOK-QZTJIDSGSA-N 2 0 339.524 1.970 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363014891 445649947 /nfs/dbraw/zinc/64/99/47/445649947.db2.gz QHBMRQQGAITHHN-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353581190 445665203 /nfs/dbraw/zinc/66/52/03/445665203.db2.gz WEGRBBBXIZLOMQ-NVXWUHKLSA-N 3 0 333.480 1.083 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363117336 445685426 /nfs/dbraw/zinc/68/54/26/445685426.db2.gz GIRIXHPXLQUKOT-SFHVURJKSA-N 2 0 346.475 1.131 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000349917379 445720854 /nfs/dbraw/zinc/72/08/54/445720854.db2.gz ZTSLIWHMEUQCMA-GOSISDBHSA-N 2 0 348.491 1.386 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000353701637 445715579 /nfs/dbraw/zinc/71/55/79/445715579.db2.gz JEEGXXGUYPCCJR-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000350118025 445773371 /nfs/dbraw/zinc/77/33/71/445773371.db2.gz OSGGCZOMHPRMMB-YESZJQIVSA-N 2 0 340.512 1.659 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH2+]C2CCCCC2)C1 ZINC000349941906 445729637 /nfs/dbraw/zinc/72/96/37/445729637.db2.gz ZTWLFZUOBMXMMJ-MRXNPFEDSA-N 2 0 326.485 1.319 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363286201 445752438 /nfs/dbraw/zinc/75/24/38/445752438.db2.gz FANBZTJRYGFZRW-KANFNMMFSA-N 2 0 349.519 1.722 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000356470774 445808940 /nfs/dbraw/zinc/80/89/40/445808940.db2.gz GMVLQDYYWBESSA-AWEZNQCLSA-N 2 0 336.480 1.805 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[NH+](CC2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358858376 445814556 /nfs/dbraw/zinc/81/45/56/445814556.db2.gz RANQCLKLGNOYCY-SFHVURJKSA-N 2 0 349.450 1.439 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358861255 445816231 /nfs/dbraw/zinc/81/62/31/445816231.db2.gz FRQFKESSELNNEO-KRWDZBQOSA-N 2 0 337.439 1.485 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000358860711 445816343 /nfs/dbraw/zinc/81/63/43/445816343.db2.gz RBQMBRKZCNXSGZ-YJBOKZPZSA-N 2 0 349.450 1.439 20 0 EDADRP COC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000361725262 445899685 /nfs/dbraw/zinc/89/96/85/445899685.db2.gz DFMPPPGCAYHXGX-SFHVURJKSA-N 2 0 345.487 1.783 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC[NH2+]C1 ZINC000582604446 325883861 /nfs/dbraw/zinc/88/38/61/325883861.db2.gz GEQYLXLSCVCCGL-BEFAXECRSA-N 2 0 346.475 1.349 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000354153700 445951646 /nfs/dbraw/zinc/95/16/46/445951646.db2.gz MCNCBIMDRIXHSJ-ROUUACIJSA-N 2 0 339.524 1.970 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451169 326076269 /nfs/dbraw/zinc/07/62/69/326076269.db2.gz MXZGHHKLZILGEL-RRFJBIMHSA-N 2 0 329.452 1.200 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000583628759 326107371 /nfs/dbraw/zinc/10/73/71/326107371.db2.gz UYZQQYXAUPBWEB-SFHVURJKSA-N 2 0 346.519 1.856 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000583867366 326155412 /nfs/dbraw/zinc/15/54/12/326155412.db2.gz DGQMWMFXZVKHGT-QGZVFWFLSA-N 2 0 335.492 1.350 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)[C@@H](C)[C@H]3C)cc2)CC1 ZINC000356872160 446085128 /nfs/dbraw/zinc/08/51/28/446085128.db2.gz JQNREVWNBWKFQH-DLBZAZTESA-N 2 0 344.503 1.993 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359262862 446098573 /nfs/dbraw/zinc/09/85/73/446098573.db2.gz HFLVYRNJOFBINM-CVEARBPZSA-N 2 0 340.512 1.214 20 0 EDADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000359285062 446120377 /nfs/dbraw/zinc/12/03/77/446120377.db2.gz LMMUOHUFYNYZOP-IYBDPMFKSA-N 2 0 346.450 1.016 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000351519237 446121663 /nfs/dbraw/zinc/12/16/63/446121663.db2.gz DNAOEGFFPSOXPS-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)NC1CC([NH+]2CCCCC2)C1 ZINC000365378283 446177263 /nfs/dbraw/zinc/17/72/63/446177263.db2.gz FGEMBPHBORBINE-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000359368886 446178578 /nfs/dbraw/zinc/17/85/78/446178578.db2.gz UYEARFJAKPOHDE-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CN(C)c1nccc(NCc2ccc(CN3CCOCC3)cc2)n1 ZINC000354366396 446148473 /nfs/dbraw/zinc/14/84/73/446148473.db2.gz NWGHSEUGKJMUDP-UHFFFAOYSA-N 2 0 327.432 1.987 20 0 EDADRP Cn1ncc2c1nc(NC1CC[NH+](Cc3cccs3)CC1)nc2N ZINC000365458876 446216873 /nfs/dbraw/zinc/21/68/73/446216873.db2.gz JZOBTQMEFYGYST-UHFFFAOYSA-N 2 0 343.460 2.084 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[NH+](C3CC3)CC2)CCCO1 ZINC000365497103 446231661 /nfs/dbraw/zinc/23/16/61/446231661.db2.gz ILPJGJLQAAYGDI-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)[nH]1 ZINC000365558995 446253961 /nfs/dbraw/zinc/25/39/61/446253961.db2.gz UQEOVJJYIRRLEJ-ZFWWWQNUSA-N 2 0 340.431 1.743 20 0 EDADRP C[C@](O)(C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000373569203 446265031 /nfs/dbraw/zinc/26/50/31/446265031.db2.gz PZUNNMLZDKVTHZ-FQEVSTJZSA-N 2 0 347.503 1.234 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000365664838 446292620 /nfs/dbraw/zinc/29/26/20/446292620.db2.gz ZXVXKAVMQDHXEZ-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP c1cc(NC[C@@H]2CCC[N@@H+]2C2CCCCC2)nc(N2CCOCC2)n1 ZINC000373820600 446335260 /nfs/dbraw/zinc/33/52/60/446335260.db2.gz XKEDOHCHVHSNHW-KRWDZBQOSA-N 2 0 345.491 2.522 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CCO1 ZINC000365783300 446342167 /nfs/dbraw/zinc/34/21/67/446342167.db2.gz YTNRBBYVJRAMEH-CABCVRRESA-N 2 0 326.485 1.079 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365837513 446364367 /nfs/dbraw/zinc/36/43/67/446364367.db2.gz LQMOYTSXAUYEKN-HNNXBMFYSA-N 2 0 348.495 2.003 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580813 446365821 /nfs/dbraw/zinc/36/58/21/446365821.db2.gz GICLJQRFEQJFQI-HNNXBMFYSA-N 2 0 340.512 1.707 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]1 ZINC000417737723 446372210 /nfs/dbraw/zinc/37/22/10/446372210.db2.gz OCFDRHCIJNVOMM-RHSMWYFYSA-N 2 0 330.476 1.525 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000365881980 446385685 /nfs/dbraw/zinc/38/56/85/446385685.db2.gz DYTXQFQRYFLIKY-SFHVURJKSA-N 2 0 344.503 1.600 20 0 EDADRP CN1Cc2ccccc2[C@H](NC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000366861274 446386814 /nfs/dbraw/zinc/38/68/14/446386814.db2.gz DWGMBBDRCLLEKF-RTBURBONSA-N 2 0 343.471 1.933 20 0 EDADRP C[C@@H]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000418187528 446452440 /nfs/dbraw/zinc/45/24/40/446452440.db2.gz DOOPJPMPLXUZSD-ZBFHGGJFSA-N 2 0 349.479 1.148 20 0 EDADRP CC(C)[C@@H]1OCCC[C@@H]1Nc1cc(NC[C@H]2C[NH2+]CCO2)ncn1 ZINC000420277913 446446963 /nfs/dbraw/zinc/44/69/63/446446963.db2.gz IKQQQLJSWUZRDP-KEYYUXOJSA-N 2 0 335.452 1.492 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417987221 446408042 /nfs/dbraw/zinc/40/80/42/446408042.db2.gz OLXFYYIYBVMQIB-HOTGVXAUSA-N 2 0 348.491 1.739 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000417989593 446409344 /nfs/dbraw/zinc/40/93/44/446409344.db2.gz TYONWTKGYRRYST-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP C[C@H](CC[NH+]1CCCC[C@H]1C(N)=O)CC[N@@H+]1CCCC[C@@H]1C(N)=O ZINC000411150994 446410458 /nfs/dbraw/zinc/41/04/58/446410458.db2.gz AHQKZFVEJKIQJQ-MUJYYYPQSA-N 2 0 338.496 1.082 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000376382316 446465951 /nfs/dbraw/zinc/46/59/51/446465951.db2.gz DAOGJQAMNLWOLO-SFHVURJKSA-N 2 0 330.476 1.306 20 0 EDADRP O=C(CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)N1CCCCCC1 ZINC000420304950 446467557 /nfs/dbraw/zinc/46/75/57/446467557.db2.gz PAAUJDOYSOYKAZ-SFHVURJKSA-N 2 0 336.524 1.396 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423273572 446471259 /nfs/dbraw/zinc/47/12/59/446471259.db2.gz LDOFDUACXHIWLK-CXAGYDPISA-N 2 0 337.489 1.691 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CCCc2ccncc2)C1)[C@H]1CCC[NH2+]1 ZINC000420312026 446475655 /nfs/dbraw/zinc/47/56/55/446475655.db2.gz HPGZDEWDBBIIEN-ZWKOTPCHSA-N 2 0 330.476 1.594 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423300675 446477859 /nfs/dbraw/zinc/47/78/59/446477859.db2.gz DVFNNANVDUDGSW-CABCVRRESA-N 2 0 333.480 1.871 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420317605 446483003 /nfs/dbraw/zinc/48/30/03/446483003.db2.gz ZQQILMJBXSEPKI-WMLDXEAASA-N 2 0 326.444 1.563 20 0 EDADRP Cc1nc2c(cnn2C)c(N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000420317380 446483670 /nfs/dbraw/zinc/48/36/70/446483670.db2.gz MWZSMPUCNYLALT-HNNXBMFYSA-N 2 0 343.479 1.183 20 0 EDADRP C[C@@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423317029 446486862 /nfs/dbraw/zinc/48/68/62/446486862.db2.gz BDNNAUBBZLMRDI-VYDXJSESSA-N 2 0 333.480 1.658 20 0 EDADRP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321963 446487714 /nfs/dbraw/zinc/48/77/14/446487714.db2.gz DLTRALYDPGHLSB-CABCVRRESA-N 2 0 345.443 1.733 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccsc1 ZINC000423329699 446490808 /nfs/dbraw/zinc/49/08/08/446490808.db2.gz NDBAKPAGPXFUIT-HZPDHXFCSA-N 2 0 347.488 1.902 20 0 EDADRP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c(OC)c1 ZINC000423329503 446491561 /nfs/dbraw/zinc/49/15/61/446491561.db2.gz BFDNXHNBYYSUPI-CYBMUJFWSA-N 2 0 333.432 1.930 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CCC(=O)Nc2ccc(F)cc2)CC12CCOCC2 ZINC000420326709 446493244 /nfs/dbraw/zinc/49/32/44/446493244.db2.gz KMHFPIPQJIDRAF-AWEZNQCLSA-N 2 0 335.423 1.842 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000423338470 446495017 /nfs/dbraw/zinc/49/50/17/446495017.db2.gz RSMJZCMMDQYAIK-PBHICJAKSA-N 2 0 347.459 1.425 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423367603 446503837 /nfs/dbraw/zinc/50/38/37/446503837.db2.gz DJBSRKAXHSPLGF-HUUCEWRRSA-N 2 0 333.480 1.491 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418333428 446504020 /nfs/dbraw/zinc/50/40/20/446504020.db2.gz GRIWIWXQBFONQX-SFHVURJKSA-N 2 0 347.507 1.935 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)C1CCCC1 ZINC000420335013 446504450 /nfs/dbraw/zinc/50/44/50/446504450.db2.gz UREXZSXNTQNPER-INIZCTEOSA-N 2 0 337.508 1.853 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)c1ccccc1 ZINC000420334058 446505221 /nfs/dbraw/zinc/50/52/21/446505221.db2.gz KZTQMNROMWFQDS-CEXWTWQISA-N 3 0 344.503 1.337 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000418343822 446509117 /nfs/dbraw/zinc/50/91/17/446509117.db2.gz KBQZYJXACWOZMF-INIZCTEOSA-N 2 0 339.528 1.091 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)COC2CC[NH2+]CC2)C1 ZINC000423378184 446509994 /nfs/dbraw/zinc/50/99/94/446509994.db2.gz ZKQUZDDYOLYDID-RDJZCZTQSA-N 2 0 331.460 1.707 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420341450 446514201 /nfs/dbraw/zinc/51/42/01/446514201.db2.gz OOFAKUGFVCFRFT-QZTJIDSGSA-N 2 0 345.487 1.675 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)NC[C@@H]1Cc2ccccc2O1 ZINC000420328905 446497784 /nfs/dbraw/zinc/49/77/84/446497784.db2.gz NKICXWONVKQDSY-SQNIBIBYSA-N 2 0 343.471 1.428 20 0 EDADRP Cc1ccccc1CNC(=O)[C@@H](C)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420329766 446499063 /nfs/dbraw/zinc/49/90/63/446499063.db2.gz OXUUSGXSVIPWIR-AEFFLSMTSA-N 2 0 345.487 1.687 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000375075803 446563864 /nfs/dbraw/zinc/56/38/64/446563864.db2.gz WOIBJMWUFFIEKR-OAHLLOKOSA-N 2 0 328.464 1.587 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418379759 446521011 /nfs/dbraw/zinc/52/10/11/446521011.db2.gz WGXYWMBMONNJMA-QYZOEREBSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@H](C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209507 446521379 /nfs/dbraw/zinc/52/13/79/446521379.db2.gz RDRFWIOQCPFAQI-HUUCEWRRSA-N 2 0 328.522 1.863 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418400150 446530066 /nfs/dbraw/zinc/53/00/66/446530066.db2.gz FJOANSXTNSYMGK-RDJZCZTQSA-N 2 0 333.480 1.672 20 0 EDADRP COC[C@]1(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)CCC[NH2+]1 ZINC000423429693 446533291 /nfs/dbraw/zinc/53/32/91/446533291.db2.gz PFAGXAZETUHBMB-NZSAHSFTSA-N 2 0 332.492 1.650 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418418620 446536925 /nfs/dbraw/zinc/53/69/25/446536925.db2.gz WNCLLSUBLBFZER-CWLKWCNXSA-N 2 0 348.466 1.945 20 0 EDADRP COC(=O)[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433162609 446540637 /nfs/dbraw/zinc/54/06/37/446540637.db2.gz UYCMYXSJFRPGNC-QGZVFWFLSA-N 2 0 333.432 1.220 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000423455575 446543802 /nfs/dbraw/zinc/54/38/02/446543802.db2.gz FMSBOGCPKAKLBA-GZBFAFLISA-N 2 0 325.478 1.763 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420375378 446552922 /nfs/dbraw/zinc/55/29/22/446552922.db2.gz OFSZCCZJEXUPEM-UYAOXDASSA-N 2 0 344.503 1.481 20 0 EDADRP COCCOC1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CCOCC1 ZINC000453254489 446553408 /nfs/dbraw/zinc/55/34/08/446553408.db2.gz AFLCBUDJLAIKIQ-BBWFWOEESA-N 2 0 326.481 1.661 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000418611415 446614591 /nfs/dbraw/zinc/61/45/91/446614591.db2.gz AXQFOJYLFFIPKX-RDBSUJKOSA-N 2 0 342.484 1.910 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420397214 446572039 /nfs/dbraw/zinc/57/20/39/446572039.db2.gz FGVJIHWHCQJNMA-ZWKOTPCHSA-N 2 0 328.460 1.449 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433467581 446578435 /nfs/dbraw/zinc/57/84/35/446578435.db2.gz QYHZHRMNOTYMHS-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP O=C1N[C@@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420406587 446579932 /nfs/dbraw/zinc/57/99/32/446579932.db2.gz RBEVEHBKTQPYFG-MOPGFXCFSA-N 2 0 342.487 1.839 20 0 EDADRP O=C(CN1CC[NH2+]C[C@H]1c1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000420416752 446590586 /nfs/dbraw/zinc/59/05/86/446590586.db2.gz VUNVZBLIGSICLB-IBGZPJMESA-N 2 0 342.487 1.376 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434351848 446637345 /nfs/dbraw/zinc/63/73/45/446637345.db2.gz LTKCMVDMYPXSPE-IAGOWNOFSA-N 2 0 338.496 1.149 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418659154 446637498 /nfs/dbraw/zinc/63/74/98/446637498.db2.gz XAAGBYRDLZSNHC-QGZVFWFLSA-N 2 0 348.491 1.347 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1C[C@H](C)O ZINC000418667476 446642028 /nfs/dbraw/zinc/64/20/28/446642028.db2.gz MQZDQUVIHOGMPF-QAETUUGQSA-N 2 0 340.512 1.238 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CC(C)(C)O ZINC000418670055 446642833 /nfs/dbraw/zinc/64/28/33/446642833.db2.gz QJJNRQSUCDPJJK-BZUAXINKSA-N 2 0 340.512 1.238 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000418737145 446660390 /nfs/dbraw/zinc/66/03/90/446660390.db2.gz VHMXGBIMKWONTG-KGLIPLIRSA-N 2 0 339.509 1.652 20 0 EDADRP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000368148144 446669255 /nfs/dbraw/zinc/66/92/55/446669255.db2.gz JRIRIPJGKWVGMI-QAPCUYQASA-N 2 0 342.503 1.199 20 0 EDADRP CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418754161 446672215 /nfs/dbraw/zinc/67/22/15/446672215.db2.gz ASRRJKSXCHXRHY-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418629623 446621264 /nfs/dbraw/zinc/62/12/64/446621264.db2.gz DKRNNVNDISVUPV-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371093024 446625180 /nfs/dbraw/zinc/62/51/80/446625180.db2.gz IERUUDRFHJVLJQ-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418636093 446626627 /nfs/dbraw/zinc/62/66/27/446626627.db2.gz HWENNJCVNPWSJB-INIZCTEOSA-N 2 0 342.528 1.764 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H]1CCC[N@H+](CCCO)C1 ZINC000418647510 446631781 /nfs/dbraw/zinc/63/17/81/446631781.db2.gz GRCHFWWFZGVEMF-FUHWJXTLSA-N 2 0 348.491 1.395 20 0 EDADRP CC[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000423817704 446707300 /nfs/dbraw/zinc/70/73/00/446707300.db2.gz CKCIDLLVWDWRFX-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP CC[C@H]1CN(C(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423820223 446710846 /nfs/dbraw/zinc/71/08/46/446710846.db2.gz GSFZVQUWFFPGOZ-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376777654 446713500 /nfs/dbraw/zinc/71/35/00/446713500.db2.gz LLYNRYFCHJVSEI-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)C3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000423828608 446717175 /nfs/dbraw/zinc/71/71/75/446717175.db2.gz OHKHVXSHEDXRCK-IRXDYDNUSA-N 2 0 329.444 1.971 20 0 EDADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1C[NH2+]C1 ZINC000368163524 446679672 /nfs/dbraw/zinc/67/96/72/446679672.db2.gz ASQFXUTWRDZRDS-QGZVFWFLSA-N 2 0 339.443 1.796 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423895644 446748136 /nfs/dbraw/zinc/74/81/36/446748136.db2.gz GCIHUSFZSNTXAS-LAVFITLUSA-N 2 0 331.460 1.126 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000371342051 446790613 /nfs/dbraw/zinc/79/06/13/446790613.db2.gz UKRUMWGAMVPTAD-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000371349814 446797120 /nfs/dbraw/zinc/79/71/20/446797120.db2.gz MSURBKJMNDYLOI-INIZCTEOSA-N 2 0 345.553 1.158 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@H](O)C[C@H]2C1)c1ccccc1 ZINC000412051087 446814359 /nfs/dbraw/zinc/81/43/59/446814359.db2.gz VOYZNKAHEMEDRS-CADBVGFASA-N 2 0 345.487 1.498 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)C(=O)NCCC[NH3+])c2ccccc2)CC1 ZINC000418948792 446821472 /nfs/dbraw/zinc/82/14/72/446821472.db2.gz QVRSHKKGIDMTNP-KRWDZBQOSA-N 2 0 346.475 1.041 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1)c1ccccc1 ZINC000424036860 446828994 /nfs/dbraw/zinc/82/89/94/446828994.db2.gz HVGUHNDMSSIWNO-SOLBZPMBSA-N 2 0 327.403 1.821 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000419001156 446858160 /nfs/dbraw/zinc/85/81/60/446858160.db2.gz APQZOFPAIIGGRX-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424150909 446859605 /nfs/dbraw/zinc/85/96/05/446859605.db2.gz ZVUPXBDZVJZHCS-LSDHHAIUSA-N 2 0 333.480 1.681 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C(=O)OC ZINC000424286533 446865068 /nfs/dbraw/zinc/86/50/68/446865068.db2.gz HEGQDYDSOLNLLF-LZWOXQAQSA-N 2 0 339.480 1.154 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000419035083 446878096 /nfs/dbraw/zinc/87/80/96/446878096.db2.gz YSMVCKNVMJMDPN-IAGOWNOFSA-N 2 0 346.475 1.141 20 0 EDADRP C[N@H+]([C@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1Cc2ccccc2[C@@H]1O ZINC000371473189 446878709 /nfs/dbraw/zinc/87/87/09/446878709.db2.gz LXBJHDKPZBSEGF-IHPCNDPISA-N 2 0 329.488 1.745 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@@H+]2C)CC1 ZINC000420903459 446880869 /nfs/dbraw/zinc/88/08/69/446880869.db2.gz ATIQWDPTJRQMDW-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000419079754 446911062 /nfs/dbraw/zinc/91/10/62/446911062.db2.gz NTJPHLSFEAYTRS-HUUCEWRRSA-N 2 0 326.485 1.001 20 0 EDADRP COc1ncc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)n1 ZINC000375618992 446928597 /nfs/dbraw/zinc/92/85/97/446928597.db2.gz BVZXMGGTSAPKAW-CQSZACIVSA-N 2 0 333.480 1.394 20 0 EDADRP COc1ccc(OCCN2CCO[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000371556993 446930441 /nfs/dbraw/zinc/93/04/41/446930441.db2.gz LFINMMYKBRTUAB-LJQANCHMSA-N 2 0 349.475 1.022 20 0 EDADRP CCN1CCO[C@H](C(=O)NC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000372154630 447020189 /nfs/dbraw/zinc/02/01/89/447020189.db2.gz BBICLRJVUUYEOC-NEWSRXKRSA-N 2 0 345.487 1.734 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419172415 446987892 /nfs/dbraw/zinc/98/78/92/446987892.db2.gz QVUUYJQYDQPTBZ-OWCLPIDISA-N 2 0 338.496 1.143 20 0 EDADRP COCC[C@]1(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000377201378 446988716 /nfs/dbraw/zinc/98/87/16/446988716.db2.gz JMWGZDTUGBOCLO-UYAOXDASSA-N 2 0 341.455 1.972 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000368696894 447047319 /nfs/dbraw/zinc/04/73/19/447047319.db2.gz OMPPVZUEBPBXBU-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000444170027 447084882 /nfs/dbraw/zinc/08/48/82/447084882.db2.gz SVAOEKSGDXTYGJ-HKUYNNGSSA-N 2 0 331.435 1.906 20 0 EDADRP [NH3+][C@H]1CN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@H]1c1ccc(F)cc1 ZINC000375921986 447151900 /nfs/dbraw/zinc/15/19/00/447151900.db2.gz LGMGZCAJTOKOGF-PCODUJHASA-N 2 0 331.435 1.859 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000419406897 447157640 /nfs/dbraw/zinc/15/76/40/447157640.db2.gz VPEJHLPWHQJKMI-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)CC1 ZINC000425550852 447225643 /nfs/dbraw/zinc/22/56/43/447225643.db2.gz IVNIESUZAWVNIK-WMZOPIPTSA-N 2 0 349.519 1.820 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000376064693 447245506 /nfs/dbraw/zinc/24/55/06/447245506.db2.gz DOEXGLYDNSJMCH-AYHJJNSGSA-N 2 0 336.524 1.532 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414309498 447290991 /nfs/dbraw/zinc/29/09/91/447290991.db2.gz RVTZHQOIBWUKMA-MJGOQNOKSA-N 2 0 331.504 1.943 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCc2nnnn2CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000421873619 447265651 /nfs/dbraw/zinc/26/56/51/447265651.db2.gz HVNZWHZASFYQAD-GDBMZVCRSA-N 2 0 344.463 1.669 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000419875306 447464853 /nfs/dbraw/zinc/46/48/53/447464853.db2.gz DVYDTHUZWDJCEU-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000495381611 447499050 /nfs/dbraw/zinc/49/90/50/447499050.db2.gz BNKIXEGKISYXRV-RKVPGOIHSA-N 2 0 341.496 1.821 20 0 EDADRP [NH3+][C@@H](CNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1)C1CC1 ZINC000415544018 447507857 /nfs/dbraw/zinc/50/78/57/447507857.db2.gz ZBCXZXUFAYWMMM-INIZCTEOSA-N 2 0 340.383 1.666 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000457426812 447578767 /nfs/dbraw/zinc/57/87/67/447578767.db2.gz GJHQREYJWCOHAX-UHFFFAOYSA-N 2 0 341.544 1.434 20 0 EDADRP C[C@H](O)CCC[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000450619095 447538817 /nfs/dbraw/zinc/53/88/17/447538817.db2.gz UFOVPHMLHXEUHZ-KRWDZBQOSA-N 2 0 339.524 1.852 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427148626 447552282 /nfs/dbraw/zinc/55/22/82/447552282.db2.gz YPBQBGZMNIZZLR-KSZLIROESA-N 2 0 337.508 1.963 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000398028097 447554222 /nfs/dbraw/zinc/55/42/22/447554222.db2.gz MMDJFDGTMJZSAK-DFQSSKMNSA-N 2 0 349.519 1.426 20 0 EDADRP COCCCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000427723555 447637656 /nfs/dbraw/zinc/63/76/56/447637656.db2.gz YSODUWAMWMNZSP-IYBDPMFKSA-N 2 0 325.497 1.819 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420091152 447595441 /nfs/dbraw/zinc/59/54/41/447595441.db2.gz BFXHWIDRVONZFN-HNNXBMFYSA-N 2 0 348.491 1.513 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)C1C[NH+](C2CCCCC2)C1 ZINC000457639599 447606802 /nfs/dbraw/zinc/60/68/02/447606802.db2.gz YGHUXKGLUGNPAW-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CCC[C@@H]1C1CCOCC1)C[NH+]1CCC2CC1 ZINC000495860428 447609388 /nfs/dbraw/zinc/60/93/88/447609388.db2.gz ZTAVJVIZDYGXPL-IEBWSBKVSA-N 2 0 349.475 1.752 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)c1 ZINC000457782319 447627094 /nfs/dbraw/zinc/62/70/94/447627094.db2.gz YSWSRBLHRMLAPP-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1SC ZINC000459412758 447656749 /nfs/dbraw/zinc/65/67/49/447656749.db2.gz RSCOMWVLIPISPC-ZACQAIPSSA-N 2 0 329.554 1.759 20 0 EDADRP C[C@@H]1C[C@@H](C)N(CC(=O)NCCc2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000422642555 447685807 /nfs/dbraw/zinc/68/58/07/447685807.db2.gz ZOWCGYBOIPJNRZ-MCIONIFRSA-N 2 0 339.430 1.929 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416812384 447689709 /nfs/dbraw/zinc/68/97/09/447689709.db2.gz DWQGWAQAVUHXPO-JKSUJKDBSA-N 2 0 332.448 1.952 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCC(C)CC1 ZINC000458055090 447710518 /nfs/dbraw/zinc/71/05/18/447710518.db2.gz VEEDZFYEODCAAU-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)C1C[NH2+]C1 ZINC000422702506 447720567 /nfs/dbraw/zinc/72/05/67/447720567.db2.gz FKOIBIZCZJROHX-INIZCTEOSA-N 3 0 347.503 1.874 20 0 EDADRP COCCN1CCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422704332 447721378 /nfs/dbraw/zinc/72/13/78/447721378.db2.gz KKIDILMCXVEBPW-KPFFTGBYSA-N 2 0 345.487 1.943 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(OCCN2CCOCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000422711370 447723930 /nfs/dbraw/zinc/72/39/30/447723930.db2.gz FVRICZJPZSBERY-FUHWJXTLSA-N 2 0 333.476 1.485 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC[C@H](C(CC)CC)[NH+]1CCOCC1 ZINC000416956714 447726062 /nfs/dbraw/zinc/72/60/62/447726062.db2.gz NMBGACLKJVUVJS-GDBMZVCRSA-N 2 0 328.501 1.421 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000416958381 447727953 /nfs/dbraw/zinc/72/79/53/447727953.db2.gz OZHZCXHZCYNDFQ-HOTGVXAUSA-N 2 0 327.517 1.075 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417004535 447730172 /nfs/dbraw/zinc/73/01/72/447730172.db2.gz CNPDEYIMPJFVMY-ZTFGCOKTSA-N 2 0 330.476 1.954 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417026252 447730617 /nfs/dbraw/zinc/73/06/17/447730617.db2.gz ABFQGQRDANFHKE-BRWVUGGUSA-N 2 0 340.512 1.646 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422733856 447732987 /nfs/dbraw/zinc/73/29/87/447732987.db2.gz RTRZLQZJGXCPHJ-OLZOCXBDSA-N 2 0 326.238 1.648 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422753550 447739862 /nfs/dbraw/zinc/73/98/62/447739862.db2.gz DZUHBKQBJQDUKN-KSZLIROESA-N 2 0 331.460 1.935 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nccn2CC(C)C)CC[NH2+]CC1 ZINC000422780131 447748154 /nfs/dbraw/zinc/74/81/54/447748154.db2.gz JAGGTBXXCOBUSN-HNNXBMFYSA-N 2 0 336.480 1.950 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nccn2CC(C)C)CC[NH2+]CC1 ZINC000422780134 447748257 /nfs/dbraw/zinc/74/82/57/447748257.db2.gz JAGGTBXXCOBUSN-OAHLLOKOSA-N 2 0 336.480 1.950 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]Cc1ccc(C[NH+](CC)CC)cc1 ZINC000422790907 447751441 /nfs/dbraw/zinc/75/14/41/447751441.db2.gz UREKOCIAJCLWOQ-ROUUACIJSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CCCN1C(=O)COc2ccccc21 ZINC000422916556 447772573 /nfs/dbraw/zinc/77/25/73/447772573.db2.gz DMLUXDKWYIDSTM-LSDHHAIUSA-N 2 0 333.432 1.159 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944242 447777793 /nfs/dbraw/zinc/77/77/93/447777793.db2.gz ZQIJBHZSCOWCIS-GOEBONIOSA-N 2 0 325.478 1.380 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)CC[NH2+]CC1 ZINC000422971140 447784770 /nfs/dbraw/zinc/78/47/70/447784770.db2.gz HZNMAQKZCZLRIH-OAHLLOKOSA-N 3 0 337.508 1.914 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1C[NH2+]C1 ZINC000431019919 447788934 /nfs/dbraw/zinc/78/89/34/447788934.db2.gz UJKIJPIQDFXHGV-KRWDZBQOSA-N 2 0 331.460 1.345 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000471635238 447806188 /nfs/dbraw/zinc/80/61/88/447806188.db2.gz NLUYYXDSKZXINW-UHFFFAOYSA-N 2 0 342.528 1.909 20 0 EDADRP COC[C@H]1CCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452039850 447807517 /nfs/dbraw/zinc/80/75/17/447807517.db2.gz PJEDUJGQRDEIPN-QZTJIDSGSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000496609026 447832474 /nfs/dbraw/zinc/83/24/74/447832474.db2.gz VIFWVJMHICTJOB-AWEZNQCLSA-N 2 0 339.484 1.642 20 0 EDADRP CN(C[C@@H](O)C[N@H+](C)C[C@H]1CCC[NH+](C)C1)C(=O)OC(C)(C)C ZINC000497105905 447859007 /nfs/dbraw/zinc/85/90/07/447859007.db2.gz JCGQRUCYWGIKEW-GJZGRUSLSA-N 2 0 329.485 1.488 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000479730029 447824381 /nfs/dbraw/zinc/82/43/81/447824381.db2.gz RKWZNZWVOKYDSJ-UHFFFAOYSA-N 2 0 340.512 1.616 20 0 EDADRP C[C@@H](CNC(=O)NCCCC[NH+]1CCN(C)CC1)C[NH+]1CCCC1 ZINC000523004685 447868023 /nfs/dbraw/zinc/86/80/23/447868023.db2.gz QOTBBXGFZROMFI-KRWDZBQOSA-N 2 0 339.528 1.045 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000569787831 447888565 /nfs/dbraw/zinc/88/85/65/447888565.db2.gz PAGMOOCMWHGHDC-MRXNPFEDSA-N 2 0 349.479 1.258 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1C ZINC000490281406 447891902 /nfs/dbraw/zinc/89/19/02/447891902.db2.gz AGVGSTBGHMOYCW-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1(C)C ZINC000575858921 447913077 /nfs/dbraw/zinc/91/30/77/447913077.db2.gz BNRMGIFCUWBFGU-UHFFFAOYSA-N 2 0 337.430 1.838 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCc3sc(Cl)cc3C2)C1 ZINC000576040943 447957756 /nfs/dbraw/zinc/95/77/56/447957756.db2.gz ZPLKTIUASSLPHI-NSHDSACASA-N 2 0 327.881 1.957 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)C1 ZINC000496840238 447959048 /nfs/dbraw/zinc/95/90/48/447959048.db2.gz ZZGZTGOGINZAJC-MOPGFXCFSA-N 2 0 348.491 1.278 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)COCc2cccs2)CC1(C)C ZINC000575862905 447915665 /nfs/dbraw/zinc/91/56/65/447915665.db2.gz WORJHKYRGRPWCU-OAHLLOKOSA-N 2 0 341.521 1.241 20 0 EDADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2cn(CC[NH3+])nn2)cc1 ZINC000575883347 447921644 /nfs/dbraw/zinc/92/16/44/447921644.db2.gz PIJKEBJJHJMQNH-GFCCVEGCSA-N 2 0 339.403 1.222 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497252160 448006336 /nfs/dbraw/zinc/00/63/36/448006336.db2.gz LZVHJRKWJFKXBO-KRWDZBQOSA-N 2 0 329.485 1.536 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000570912040 448083515 /nfs/dbraw/zinc/08/35/15/448083515.db2.gz CYQBEGZSMYYETQ-GOSISDBHSA-N 2 0 339.528 1.091 20 0 EDADRP CC(C)C[C@H](C[NH2+]C[C@]1(O)CCN(C)C1)NC(=O)OC(C)(C)C ZINC000496982021 448095247 /nfs/dbraw/zinc/09/52/47/448095247.db2.gz VXHHANKXGSWFQN-RHSMWYFYSA-N 2 0 329.485 1.582 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430738 448155780 /nfs/dbraw/zinc/15/57/80/448155780.db2.gz UIQADMYDCVPAEU-BRWVUGGUSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576730012 448128070 /nfs/dbraw/zinc/12/80/70/448128070.db2.gz UVHZQZRLODSYHH-CGTJXYLNSA-N 2 0 346.475 1.185 20 0 EDADRP CC(=O)c1cccc(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000576749115 448130279 /nfs/dbraw/zinc/13/02/79/448130279.db2.gz MYQAMTNVYJUILI-QAPCUYQASA-N 2 0 334.460 1.950 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000571303910 448134281 /nfs/dbraw/zinc/13/42/81/448134281.db2.gz HFWRDONXTVGJAP-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc([C@]2(C)NC(=O)NC2=O)cc1 ZINC000531964781 448176601 /nfs/dbraw/zinc/17/66/01/448176601.db2.gz IXMMEMKPGHVTLV-ICLOAJAWSA-N 2 0 344.459 1.560 20 0 EDADRP Cc1ccc2c(CC[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)cn(C)c2c1 ZINC000514788733 448203130 /nfs/dbraw/zinc/20/31/30/448203130.db2.gz XBEHCDUYGNNOQE-GOSISDBHSA-N 2 0 344.503 1.227 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(-n2cccn2)c1 ZINC000527126656 448164961 /nfs/dbraw/zinc/16/49/61/448164961.db2.gz PCDUTAVURMCHBT-UHFFFAOYSA-N 2 0 344.463 1.829 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)NC(=O)NC2CCCC2)CC1 ZINC000532538431 448272042 /nfs/dbraw/zinc/27/20/42/448272042.db2.gz WTKCPKHNLXXRBR-UHFFFAOYSA-N 2 0 338.496 1.807 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)[C@H]2CCCCN12 ZINC000515346060 448293917 /nfs/dbraw/zinc/29/39/17/448293917.db2.gz KEXBDXTYFLZWGS-XLSPSMHOSA-N 2 0 341.455 1.985 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC[C@H](O)C[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000515347735 448295089 /nfs/dbraw/zinc/29/50/89/448295089.db2.gz MIMLWZWLRQCDAH-FJIDUMEYSA-N 2 0 327.513 1.311 20 0 EDADRP C[NH2+]CCSCC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000582843476 448357228 /nfs/dbraw/zinc/35/72/28/448357228.db2.gz FWSIWLFFBTTWAX-UHFFFAOYSA-N 2 0 335.517 1.982 20 0 EDADRP Cc1c(C(=O)Nc2ccc([C@H](C)[NH3+])cc2)nnn1C1CC[NH2+]CC1 ZINC000572362018 448357260 /nfs/dbraw/zinc/35/72/60/448357260.db2.gz QVWKRBBDXVLBCY-NSHDSACASA-N 2 0 328.420 1.783 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(C[NH+]3CCC[C@H](C(N)=O)C3)cc2)C1 ZINC000591453280 448368891 /nfs/dbraw/zinc/36/88/91/448368891.db2.gz DUQDMLWTDCAWQA-HOTGVXAUSA-N 2 0 344.459 1.274 20 0 EDADRP CCN1CCOC[C@@H]1C(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000572249241 448327518 /nfs/dbraw/zinc/32/75/18/448327518.db2.gz ADIZXZKRLXMIHP-QGZVFWFLSA-N 2 0 334.464 1.083 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cccc3c2OCCO3)[C@H](C2CC[NH2+]CC2)N1 ZINC000577601347 448336854 /nfs/dbraw/zinc/33/68/54/448336854.db2.gz XPNLLHGWVLZTCW-QAPCUYQASA-N 2 0 345.443 1.194 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC[C@@H]1Cc3ccccc3O1)CC[NH2+]CC2 ZINC000577857462 448404625 /nfs/dbraw/zinc/40/46/25/448404625.db2.gz IUHROKHDYIZQKG-WBVHZDCISA-N 2 0 343.471 1.570 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(C(=O)N2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000516273632 448406982 /nfs/dbraw/zinc/40/69/82/448406982.db2.gz JIIMAPIWCICQFQ-CRAIPNDOSA-N 2 0 331.460 1.637 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)CC1(C[NH3+])CC1 ZINC000516297252 448410332 /nfs/dbraw/zinc/41/03/32/448410332.db2.gz TWZXLUFSODIEDD-UHFFFAOYSA-N 2 0 346.475 1.905 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000516070447 448375555 /nfs/dbraw/zinc/37/55/55/448375555.db2.gz FBHKALKYTHIGAC-LMSBXDPUSA-N 2 0 330.476 1.796 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+]2CCO)cc1 ZINC000577963016 448427866 /nfs/dbraw/zinc/42/78/66/448427866.db2.gz MBUGKBNQUXVAMN-SFHVURJKSA-N 2 0 333.476 1.367 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963551 448428255 /nfs/dbraw/zinc/42/82/55/448428255.db2.gz DWPRPYMQEISLNY-OLZOCXBDSA-N 2 0 345.896 1.868 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000566436633 448469602 /nfs/dbraw/zinc/46/96/02/448469602.db2.gz NKJDBLAJWBJWRU-MRXNPFEDSA-N 2 0 333.476 1.628 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000572840025 448476699 /nfs/dbraw/zinc/47/66/99/448476699.db2.gz JDCBTCMGDHNIGZ-QLFBSQMISA-N 2 0 334.468 1.104 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@@H](Nc2ccc3c[nH+]ccc3c2)C1=O ZINC000516854238 448481809 /nfs/dbraw/zinc/48/18/09/448481809.db2.gz GIVPRCOWSYFEEK-MRXNPFEDSA-N 2 0 326.400 1.726 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)N2CCOCC2)C1 ZINC000566482797 448489443 /nfs/dbraw/zinc/48/94/43/448489443.db2.gz QHKLNAOFWFWZFM-SQNIBIBYSA-N 2 0 331.460 1.316 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000528339613 448491352 /nfs/dbraw/zinc/49/13/52/448491352.db2.gz XYAQGJDPKNICHD-TXTZMMAHSA-N 2 0 339.524 1.920 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3CCN(C4CCCCC4)C3=O)C2)CC1 ZINC000528374928 448505033 /nfs/dbraw/zinc/50/50/33/448505033.db2.gz ABVXWSKFCVDROK-RTBURBONSA-N 2 0 348.535 1.632 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NC[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC000566571163 448511673 /nfs/dbraw/zinc/51/16/73/448511673.db2.gz ZPFSZOPXGDUWKZ-MRXNPFEDSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517225555 448556514 /nfs/dbraw/zinc/55/65/14/448556514.db2.gz NTDUHIUQADEAMV-LMSBXDPUSA-N 2 0 330.476 1.804 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]CCS(=O)(=O)c2ccccc2)CC1 ZINC000578499622 448560800 /nfs/dbraw/zinc/56/08/00/448560800.db2.gz UHPXILKFCSCOQL-UHFFFAOYSA-N 2 0 339.505 1.076 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3([NH3+])CCC3)cc2)C[C@@H](C)O1 ZINC000573202930 448567266 /nfs/dbraw/zinc/56/72/66/448567266.db2.gz OWNCHXXPGGKEHY-HUUCEWRRSA-N 2 0 331.460 1.793 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCCCCC1 ZINC000584579683 448576728 /nfs/dbraw/zinc/57/67/28/448576728.db2.gz BJDGEYRTEWZHFR-CYBMUJFWSA-N 2 0 332.439 1.937 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)Nc2ccnn2CC[NH+](C)C)cc1 ZINC000578548685 448577699 /nfs/dbraw/zinc/57/76/99/448577699.db2.gz ZKSOKHNWQMLHJE-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)n1 ZINC000584728055 448611834 /nfs/dbraw/zinc/61/18/34/448611834.db2.gz AYOUBCWBSUURDV-KRWDZBQOSA-N 2 0 343.475 1.347 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000578620669 448595067 /nfs/dbraw/zinc/59/50/67/448595067.db2.gz ZLZNXGSTKJGTST-UHFFFAOYSA-N 2 0 340.431 1.565 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000584836250 448649775 /nfs/dbraw/zinc/64/97/75/448649775.db2.gz DQFVUYAAMLWGSV-UHFFFAOYSA-N 2 0 336.484 1.211 20 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ZINC000573962364 448759400 /nfs/dbraw/zinc/75/94/00/448759400.db2.gz DGGQPVXWQVLMJJ-WMZOPIPTSA-N 2 0 338.540 1.674 20 0 EDADRP C[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CC(C)C1 ZINC000579372385 448781060 /nfs/dbraw/zinc/78/10/60/448781060.db2.gz NWCMBLXLNWCGSS-QGZVFWFLSA-N 2 0 336.524 1.203 20 0 EDADRP [NH3+][C@@H]1C[C@H]2CN(Cc3ccc(OC(F)F)c(F)c3)CCN2C1=O ZINC000519548786 448784280 /nfs/dbraw/zinc/78/42/80/448784280.db2.gz JOCDZYZBEXBKBV-CMPLNLGQSA-N 2 0 329.322 1.171 20 0 EDADRP CCC[NH+]1CCC(C[NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000574192280 448814231 /nfs/dbraw/zinc/81/42/31/448814231.db2.gz XIQSUZCLWALIOC-BQFCYCMXSA-N 2 0 327.513 1.168 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)c1ccccc1 ZINC000519691164 448819275 /nfs/dbraw/zinc/81/92/75/448819275.db2.gz NLEORFHMOZZBRU-BZSNNMDCSA-N 2 0 331.460 1.474 20 0 EDADRP C[C@H]1[C@H](NC(=O)NC2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000529322715 448823516 /nfs/dbraw/zinc/82/35/16/448823516.db2.gz CBZHYXMMTBCOKF-DOTOQJQBSA-N 2 0 346.475 1.457 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2ccn(CC[NH+](C)C)n2)[NH+](C)C)cc1 ZINC000579610123 448835983 /nfs/dbraw/zinc/83/59/83/448835983.db2.gz SCBAGVBBLOHWIY-GOSISDBHSA-N 2 0 343.475 1.786 20 0 EDADRP CCc1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@H+]2CC)c(C)nn1 ZINC000546795607 448850160 /nfs/dbraw/zinc/85/01/60/448850160.db2.gz YRSWCLQXOSKBET-QGZVFWFLSA-N 2 0 347.507 1.836 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000574355767 448853503 /nfs/dbraw/zinc/85/35/03/448853503.db2.gz GKMHKMZMYXNQKT-FXAWDEMLSA-N 2 0 346.519 1.822 20 0 EDADRP CCN1CCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2F)CC1 ZINC000568509096 448881399 /nfs/dbraw/zinc/88/13/99/448881399.db2.gz BGXDKNPWGDXZJG-UHFFFAOYSA-N 2 0 348.466 1.697 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[N@@H+]1CCOC ZINC000579715255 448861723 /nfs/dbraw/zinc/86/17/23/448861723.db2.gz VKOQVDLKKZBMJU-IEBWSBKVSA-N 2 0 345.487 1.833 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[NH2+]C[C@@H]3c3ccccc3)c21 ZINC000592566196 448903485 /nfs/dbraw/zinc/90/34/85/448903485.db2.gz DQVZFGKTJFVIDI-DOTOQJQBSA-N 2 0 339.443 1.506 20 0 EDADRP [NH3+]C1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000568856213 448926705 /nfs/dbraw/zinc/92/67/05/448926705.db2.gz RFMXMKGPAHSBNG-SFHVURJKSA-N 2 0 346.475 1.410 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(O)Cc3ccccc3C2)CC[NH2+]CC1 ZINC000520394188 448891508 /nfs/dbraw/zinc/89/15/08/448891508.db2.gz SBKZRBXIKAQFCE-HNNXBMFYSA-N 2 0 346.471 1.427 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000569103472 448962151 /nfs/dbraw/zinc/96/21/51/448962151.db2.gz INKYSFRAOCEDFX-YQQAZPJKSA-N 2 0 346.475 1.009 20 0 EDADRP Cc1cccn2cc(CC(=O)N3CC[N@@H+](CC(C)(C)O)C[C@@H]3C)nc12 ZINC000548050732 448977028 /nfs/dbraw/zinc/97/70/28/448977028.db2.gz ZCVURYRPALUSEY-HNNXBMFYSA-N 2 0 344.459 1.489 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)NCCC[NH2+]C(C)C)[NH+](C)C)cc1 ZINC000569216341 448982172 /nfs/dbraw/zinc/98/21/72/448982172.db2.gz YFPQRWULADEIGC-QGZVFWFLSA-N 2 0 348.491 1.218 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC(F)(F)F ZINC000521614310 449001327 /nfs/dbraw/zinc/00/13/27/449001327.db2.gz HSBREDJGXSPXOD-LSDHHAIUSA-N 2 0 332.366 1.656 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCN2CCN(C(=O)C3CCCCC3)CC2)C1 ZINC000521643754 449006109 /nfs/dbraw/zinc/00/61/09/449006109.db2.gz NNFMCPWCPSJTTC-MSOLQXFVSA-N 2 0 336.524 1.570 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2=CC[N@H+](C)CC2)cc1 ZINC000569353053 449010316 /nfs/dbraw/zinc/01/03/16/449010316.db2.gz GMLCTNQVPWFVPW-KDOFPFPSSA-N 2 0 347.459 1.625 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(COC)CC1 ZINC000582183037 449031919 /nfs/dbraw/zinc/03/19/19/449031919.db2.gz YOZAVPWZMBZHNJ-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP Cc1ccnc(N2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)c1 ZINC000575355549 449084288 /nfs/dbraw/zinc/08/42/88/449084288.db2.gz XNJXSEBVHCZESD-DLBZAZTESA-N 2 0 343.475 1.610 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000569578060 449048452 /nfs/dbraw/zinc/04/84/52/449048452.db2.gz GZSCRUKNFPJQOA-HYVNUMGLSA-N 2 0 332.448 1.019 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCc1ccc(F)cc1 ZINC000530237234 449091073 /nfs/dbraw/zinc/09/10/73/449091073.db2.gz CGXRYHQAXXKQHV-SFHVURJKSA-N 2 0 349.450 1.532 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000595938233 449266160 /nfs/dbraw/zinc/26/61/60/449266160.db2.gz MINPVPBUUHDUFT-INIZCTEOSA-N 2 0 336.505 1.490 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)[C@@H]1CCC[NH3+] ZINC000595973483 449292861 /nfs/dbraw/zinc/29/28/61/449292861.db2.gz OMXAMKOQTOGSAD-IIAWOOMASA-N 2 0 333.480 1.699 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000617012626 449432387 /nfs/dbraw/zinc/43/23/87/449432387.db2.gz FDJPEVUTFRGKPY-FXAWDEMLSA-N 2 0 345.487 1.612 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)C1 ZINC000606625557 449491898 /nfs/dbraw/zinc/49/18/98/449491898.db2.gz RPXUXQPEBFLVRN-WBVHZDCISA-N 2 0 340.512 1.373 20 0 EDADRP COC(=O)c1csc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000602507080 449637274 /nfs/dbraw/zinc/63/72/74/449637274.db2.gz AFBPIFNBSBFVPL-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP COC(=O)[C@@H]1CCC[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602599513 449696660 /nfs/dbraw/zinc/69/66/60/449696660.db2.gz AHMRYQCUOLSYDW-UONOGXRCSA-N 2 0 346.431 1.409 20 0 EDADRP COC(=O)c1csc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1 ZINC000602619400 449709902 /nfs/dbraw/zinc/70/99/02/449709902.db2.gz NQSZOTXHHCMYTC-CYBMUJFWSA-N 2 0 325.478 1.650 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[NH+](C)C ZINC000617700448 449745137 /nfs/dbraw/zinc/74/51/37/449745137.db2.gz DZPINNLOHRVTIO-ROUUACIJSA-N 2 0 333.476 1.456 20 0 EDADRP CS[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]1[NH+](C)C ZINC000602800828 449819902 /nfs/dbraw/zinc/81/99/02/449819902.db2.gz VQAJQKNAHDBGEV-QRVBRYPASA-N 2 0 349.544 1.601 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NC(=O)Nc3ccccc3)C2)CC1 ZINC000602876137 449884666 /nfs/dbraw/zinc/88/46/66/449884666.db2.gz FCNQVFLZCKWVFA-UHFFFAOYSA-N 2 0 330.432 1.752 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612987695 449972951 /nfs/dbraw/zinc/97/29/51/449972951.db2.gz MVGKRJRGZTUJAX-SJORKVTESA-N 2 0 346.475 1.739 20 0 EDADRP C[C@H](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)[C@H]1CCCO1 ZINC000613005119 449980106 /nfs/dbraw/zinc/98/01/06/449980106.db2.gz KMHPHJKMFWHTPP-BSLJZLGVSA-N 2 0 349.519 1.961 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000615262475 450024594 /nfs/dbraw/zinc/02/45/94/450024594.db2.gz GHDIKWHINPCBOO-BHIYHBOVSA-N 2 0 349.519 1.963 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)[C@H]2CCC[NH+](CCc3ccccc3)C2)C1 ZINC000613522039 450210828 /nfs/dbraw/zinc/21/08/28/450210828.db2.gz HYBVNNNQERLVPS-ICSRJNTNSA-N 2 0 345.487 1.124 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000623063150 450387232 /nfs/dbraw/zinc/38/72/32/450387232.db2.gz AOGJTRBLJHLQNN-QGZVFWFLSA-N 2 0 331.464 1.260 20 0 EDADRP Cc1ccc(NC(=O)N(C)CCOCC[NH3+])c(OCC[NH+](C)C)c1 ZINC000625862325 450523628 /nfs/dbraw/zinc/52/36/28/450523628.db2.gz BTXKBEPYAQPGSY-UHFFFAOYSA-N 2 0 338.452 1.374 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NCCOCC[NH2+]C)c2)CC1 ZINC000625879082 450526811 /nfs/dbraw/zinc/52/68/11/450526811.db2.gz FYEYDRUULGFXMW-UHFFFAOYSA-N 2 0 349.479 1.186 20 0 EDADRP Cn1ccnc1CN1CCC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)C1=O ZINC000623488700 450530466 /nfs/dbraw/zinc/53/04/66/450530466.db2.gz AIRQFELOVGFXDG-GJZGRUSLSA-N 3 0 333.480 1.374 20 0 EDADRP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000623617965 450552021 /nfs/dbraw/zinc/55/20/21/450552021.db2.gz YCGCOZGVASSYFR-HOCLYGCPSA-N 2 0 332.448 1.333 20 0 EDADRP Cc1ccc(CNC(=O)NC[C@H]2CCC[N@H+]2C)c(N2CCCC2)n1 ZINC000623873036 450621939 /nfs/dbraw/zinc/62/19/39/450621939.db2.gz WRHSKEFYBSWPBA-MRXNPFEDSA-N 2 0 331.464 1.884 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000627310819 450639863 /nfs/dbraw/zinc/63/98/63/450639863.db2.gz DAMJIUQZYYBGFX-YOEHRIQHSA-N 2 0 346.475 1.011 20 0 EDADRP CN(C[C@@H](O)CN1CCOCC1)c1nc2ccccc2n2cncc12 ZINC000624025814 450675181 /nfs/dbraw/zinc/67/51/81/450675181.db2.gz OJLCNQDQJQXLIX-CQSZACIVSA-N 2 0 341.415 1.012 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)C[NH2+]1 ZINC000627363218 450676628 /nfs/dbraw/zinc/67/66/28/450676628.db2.gz JBVPWTFBVBMXRT-BZUAXINKSA-N 2 0 338.496 1.014 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000631663410 450702874 /nfs/dbraw/zinc/70/28/74/450702874.db2.gz XOAZEOWHQZTEDV-QGZVFWFLSA-N 2 0 339.505 1.695 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CCCOC)C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000633146145 450710337 /nfs/dbraw/zinc/71/03/37/450710337.db2.gz UOTAMZDEDMITFC-DLBZAZTESA-N 2 0 325.497 1.676 20 0 EDADRP O[C@@H](CNC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560321 450735827 /nfs/dbraw/zinc/73/58/27/450735827.db2.gz QWMFOVBLQSZFAY-PMACEKPBSA-N 2 0 331.504 1.597 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590445 450752220 /nfs/dbraw/zinc/75/22/20/450752220.db2.gz ALAURUOPEACPHE-DOTOQJQBSA-N 2 0 341.496 1.008 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631785194 450773805 /nfs/dbraw/zinc/77/38/05/450773805.db2.gz MUWOJDRDEWLDRE-OAGGEKHMSA-N 2 0 331.526 1.605 20 0 EDADRP C[C@@H](C(=O)NCCc1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842345 450811705 /nfs/dbraw/zinc/81/17/05/450811705.db2.gz ZBNRSGOVRPQBNN-IJEWVQPXSA-N 2 0 347.459 1.032 20 0 EDADRP [NH3+]Cc1cn([C@H]2CC[N@H+](CCc3nsc4ccccc43)C2)nn1 ZINC000631844794 450814574 /nfs/dbraw/zinc/81/45/74/450814574.db2.gz MOFFHTOQNMQSFI-ZDUSSCGKSA-N 2 0 328.445 1.836 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000621652414 450816748 /nfs/dbraw/zinc/81/67/48/450816748.db2.gz ZOKYHEBYGAAIJR-MRXNPFEDSA-N 2 0 345.491 1.229 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621653193 450817501 /nfs/dbraw/zinc/81/75/01/450817501.db2.gz ROEZMJDVBAZXAJ-HNNXBMFYSA-N 2 0 331.464 1.552 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000621668274 450824757 /nfs/dbraw/zinc/82/47/57/450824757.db2.gz ZUTSRMJQIQNDTL-MRXNPFEDSA-N 2 0 337.508 1.773 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC000635267797 450796534 /nfs/dbraw/zinc/79/65/34/450796534.db2.gz UVLAOEBXJIZAKD-AWEZNQCLSA-N 2 0 332.448 1.258 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCC[C@H]([C@@H]4C[C@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828846 450800768 /nfs/dbraw/zinc/80/07/68/450800768.db2.gz AATZKNQIHPMYNQ-DAYGRLMNSA-N 2 0 345.443 1.850 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4ccccc4)C3)C[C@H]21 ZINC000627649284 450867115 /nfs/dbraw/zinc/86/71/15/450867115.db2.gz QQMIMBVJOPHSBU-INDMIFKZSA-N 2 0 327.472 1.917 20 0 EDADRP C[NH+](C)[C@@H]1[C@H]2CN(C(=O)[C@@H](c3ccccc3)[NH+]3CCC(O)CC3)C[C@H]21 ZINC000627653688 450869435 /nfs/dbraw/zinc/86/94/35/450869435.db2.gz XKUAYMYECRSSMR-HCXYKTFWSA-N 2 0 343.471 1.203 20 0 EDADRP C[C@H]1CCC[C@H](C)[NH+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631921099 450880027 /nfs/dbraw/zinc/88/00/27/450880027.db2.gz MZZSZPPGAJIXTK-HOTGVXAUSA-N 2 0 331.526 1.655 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635399236 450906344 /nfs/dbraw/zinc/90/63/44/450906344.db2.gz LHJRIOULKHYBGO-MRXNPFEDSA-N 2 0 327.513 1.972 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCCC[C@H]([NH3+])C2)cc1 ZINC000631961256 450918033 /nfs/dbraw/zinc/91/80/33/450918033.db2.gz JAOJSWKEILOQOG-HNNXBMFYSA-N 2 0 325.478 1.640 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631962208 450919531 /nfs/dbraw/zinc/91/95/31/450919531.db2.gz FNSRLPWIXPKWLK-MRXNPFEDSA-N 2 0 331.526 1.656 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ccc(NC(=O)C[N@H+](C)C3CCC3)nc2)C1 ZINC000629974779 450929303 /nfs/dbraw/zinc/92/93/03/450929303.db2.gz NBOBJOVVNBDDRO-MRXNPFEDSA-N 2 0 331.464 1.645 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000635492186 450987681 /nfs/dbraw/zinc/98/76/81/450987681.db2.gz VULYSSUHSZXICG-MJGOQNOKSA-N 2 0 344.503 1.433 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000626920211 451003937 /nfs/dbraw/zinc/00/39/37/451003937.db2.gz WEYRLPJIDLHUIO-QGZVFWFLSA-N 2 0 334.464 1.822 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1COCC[NH2+]1 ZINC000626920492 451004108 /nfs/dbraw/zinc/00/41/08/451004108.db2.gz CBQKJLUDBVUTFH-HUUCEWRRSA-N 2 0 336.436 1.094 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000626931644 451014125 /nfs/dbraw/zinc/01/41/25/451014125.db2.gz JZUPWIYIEHRFSW-HOCLYGCPSA-N 2 0 334.464 1.567 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC[C@H]1C(F)(F)F ZINC000626939872 451021646 /nfs/dbraw/zinc/02/16/46/451021646.db2.gz DPLJUWVESALEGF-SYQHCUMBSA-N 2 0 348.413 1.782 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)NC[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000626977957 451045987 /nfs/dbraw/zinc/04/59/87/451045987.db2.gz IAPNJKMFGFNUJE-GOEBONIOSA-N 2 0 334.464 1.403 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[N@H+](C)C1CC1 ZINC000626970176 451041036 /nfs/dbraw/zinc/04/10/36/451041036.db2.gz KGSRVONJEPESAW-WZRBSPASSA-N 2 0 336.402 1.638 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[NH2+]1 ZINC000626984783 451052097 /nfs/dbraw/zinc/05/20/97/451052097.db2.gz KVHPZPWBIXYXHN-RHSMWYFYSA-N 2 0 330.476 1.525 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000626993972 451059821 /nfs/dbraw/zinc/05/98/21/451059821.db2.gz SGRRBIUKRGGACQ-SJLPKXTDSA-N 2 0 348.491 1.432 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000626994926 451060541 /nfs/dbraw/zinc/06/05/41/451060541.db2.gz KCVDSBAYMHTSRL-KBXCAEBGSA-N 2 0 346.475 1.193 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000632135171 451061669 /nfs/dbraw/zinc/06/16/69/451061669.db2.gz YUMCRLQKQHGOOT-UHFFFAOYSA-N 2 0 345.553 1.856 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000627001873 451067445 /nfs/dbraw/zinc/06/74/45/451067445.db2.gz NLAVJHPJKMWHLX-MRXNPFEDSA-N 2 0 328.501 1.232 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)cn1 ZINC000632160066 451080552 /nfs/dbraw/zinc/08/05/52/451080552.db2.gz SYZWSLYRWXIMIQ-MSOLQXFVSA-N 2 0 341.459 1.620 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CCCO1 ZINC000627020661 451085522 /nfs/dbraw/zinc/08/55/22/451085522.db2.gz KGRAAFIRGSYFCV-RYQLBKOJSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000635590747 451087932 /nfs/dbraw/zinc/08/79/32/451087932.db2.gz YIDSSJYJZKSASI-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000627034108 451093155 /nfs/dbraw/zinc/09/31/55/451093155.db2.gz YMNSVJMEFZIHRV-NVXWUHKLSA-N 2 0 336.480 1.555 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000626978811 451047703 /nfs/dbraw/zinc/04/77/03/451047703.db2.gz LAUFZJINSYCTFY-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000627086361 451118248 /nfs/dbraw/zinc/11/82/48/451118248.db2.gz RALPSOIQIAXBDZ-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000627178210 451167713 /nfs/dbraw/zinc/16/77/13/451167713.db2.gz RCFJZPGZTGWTIJ-UHFFFAOYSA-N 2 0 348.491 1.448 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[NH2+]1 ZINC000627193762 451179568 /nfs/dbraw/zinc/17/95/68/451179568.db2.gz PJRHDFMPZJFQAO-CVEARBPZSA-N 3 0 327.517 1.042 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C[NH2+]1 ZINC000627204633 451185694 /nfs/dbraw/zinc/18/56/94/451185694.db2.gz XWHKIDQYSVVISI-OQIJWPOYSA-N 2 0 342.487 1.900 20 0 EDADRP CCN(C(=O)NCCOCCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627216902 451191679 /nfs/dbraw/zinc/19/16/79/451191679.db2.gz XHDAPBDFAQLFFB-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC000635754023 451221510 /nfs/dbraw/zinc/22/15/10/451221510.db2.gz UDRZKNFEXNMTOO-SFHVURJKSA-N 2 0 339.524 1.925 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000638117596 451286340 /nfs/dbraw/zinc/28/63/40/451286340.db2.gz MRYFWJBUEXQKPC-INIZCTEOSA-N 2 0 325.416 1.330 20 0 EDADRP C[N@H+](CCn1cc(Cn2cc(C[NH3+])cn2)nn1)Cc1cccc(F)c1 ZINC000630589290 451265835 /nfs/dbraw/zinc/26/58/35/451265835.db2.gz FDWHDLSMXXDVBD-UHFFFAOYSA-N 2 0 343.410 1.253 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638129243 451300307 /nfs/dbraw/zinc/30/03/07/451300307.db2.gz XQVMIVUEOAWCPU-UHFFFAOYSA-N 2 0 344.503 1.017 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000635853548 451302461 /nfs/dbraw/zinc/30/24/61/451302461.db2.gz ISLLZVULFFAPSI-MOPGFXCFSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)[C@H]1C ZINC000638203096 451353267 /nfs/dbraw/zinc/35/32/67/451353267.db2.gz DHWCSUYLMHXMDK-OLZOCXBDSA-N 2 0 345.447 1.126 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1)c1ccc(C(F)(F)F)cc1 ZINC000638203189 451353546 /nfs/dbraw/zinc/35/35/46/451353546.db2.gz SHGCQMLMDQDBKI-BPNCWPANSA-N 2 0 327.350 1.916 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N(CC[NH3+])CCc2ccccc2)cn1 ZINC000638222561 451365874 /nfs/dbraw/zinc/36/58/74/451365874.db2.gz ASUAXCLCRNMDCG-UHFFFAOYSA-N 2 0 329.448 1.088 20 0 EDADRP COCC[NH+](CCOC)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000635924441 451368765 /nfs/dbraw/zinc/36/87/65/451368765.db2.gz WNEMWLDNZCTJHR-KRWDZBQOSA-N 2 0 341.496 1.057 20 0 EDADRP COC[C@@]1(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000638227773 451368784 /nfs/dbraw/zinc/36/87/84/451368784.db2.gz ASJPJUAYRPPPRF-MJGOQNOKSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)Cc3cccc4c3CC[NH2+]C4)sc2C1 ZINC000638233712 451372999 /nfs/dbraw/zinc/37/29/99/451372999.db2.gz JDYYEJSBVLUJLA-ZDUSSCGKSA-N 2 0 342.468 1.786 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265497 451387465 /nfs/dbraw/zinc/38/74/65/451387465.db2.gz COSVQEVXXYXNEK-ZIAGYGMSSA-N 2 0 329.366 1.904 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638285904 451403492 /nfs/dbraw/zinc/40/34/92/451403492.db2.gz OAQSIOGZORFIKV-AYBZRNKSSA-N 2 0 331.460 1.379 20 0 EDADRP [NH3+]C[C@@H]1CCN(S(=O)(=O)CCC[NH+]2CCCC2)c2ccccc21 ZINC000634563706 451408496 /nfs/dbraw/zinc/40/84/96/451408496.db2.gz NHMZHUDIARAYHQ-HNNXBMFYSA-N 2 0 337.489 1.755 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000638294245 451410494 /nfs/dbraw/zinc/41/04/94/451410494.db2.gz NDENWPBEDHZHGJ-WNRNVDISSA-N 2 0 345.443 1.205 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)CN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000638310259 451424308 /nfs/dbraw/zinc/42/43/08/451424308.db2.gz QCNCZEZCCJADJZ-IEBWSBKVSA-N 2 0 344.503 1.309 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630843800 451434520 /nfs/dbraw/zinc/43/45/20/451434520.db2.gz SFSJCSYBHOEESL-UHFFFAOYSA-N 2 0 335.496 1.781 20 0 EDADRP CO[C@@H](C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638351451 451452437 /nfs/dbraw/zinc/45/24/37/451452437.db2.gz GAVQWWHCYZIOCD-MSOLQXFVSA-N 2 0 327.513 1.290 20 0 EDADRP COc1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1OCC[NH+](C)C ZINC000636034865 451455801 /nfs/dbraw/zinc/45/58/01/451455801.db2.gz XUSPMRJGZBPNCV-UHFFFAOYSA-N 2 0 335.448 1.916 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000638375107 451471683 /nfs/dbraw/zinc/47/16/83/451471683.db2.gz DNUIWSYWBMMDLZ-IRXDYDNUSA-N 2 0 330.476 1.237 20 0 EDADRP COCC(C)(C)N1CCN(C(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000636058083 451474216 /nfs/dbraw/zinc/47/42/16/451474216.db2.gz YMRONDQFABFKLS-UHFFFAOYSA-N 2 0 347.503 1.730 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)O1 ZINC000630865062 451446863 /nfs/dbraw/zinc/44/68/63/451446863.db2.gz APFAPTLMKFHZBC-NUJGCVRESA-N 2 0 346.475 1.523 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(OC)cc(F)cc2OC)CC1 ZINC000631040932 451547663 /nfs/dbraw/zinc/54/76/63/451547663.db2.gz GBXWPWFYCVMFBL-CQSZACIVSA-N 2 0 339.455 1.959 20 0 EDADRP CO[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC000638459905 451525723 /nfs/dbraw/zinc/52/57/23/451525723.db2.gz NNJYACXRDGDIRT-YJBOKZPZSA-N 2 0 325.497 1.186 20 0 EDADRP CO[C@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCOC1 ZINC000638463400 451528012 /nfs/dbraw/zinc/52/80/12/451528012.db2.gz UNFJWDVECFDSOG-IEBWSBKVSA-N 2 0 348.491 1.235 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1c2c(nn1C)CCCC2)N1CC[NH+](C)CC1 ZINC000631039060 451545613 /nfs/dbraw/zinc/54/56/13/451545613.db2.gz QLESFLMTGCIBOP-GOSISDBHSA-N 2 0 333.524 1.661 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000638511606 451552005 /nfs/dbraw/zinc/55/20/05/451552005.db2.gz BNCIRDHOZAVTFV-ZSYWTGECSA-N 2 0 327.472 1.821 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3ccc(=O)[nH]c3)cc2)CC1 ZINC000631048511 451553424 /nfs/dbraw/zinc/55/34/24/451553424.db2.gz ZRUKSUGYAWIDAA-UHFFFAOYSA-N 2 0 326.444 1.824 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@H]2[NH2+]CCC2(C)C)cc1 ZINC000638525736 451558559 /nfs/dbraw/zinc/55/85/59/451558559.db2.gz CHGDDWRAFLHIPF-OAHLLOKOSA-N 2 0 332.448 1.305 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631063140 451562861 /nfs/dbraw/zinc/56/28/61/451562861.db2.gz CLBGRTVZKKRWSI-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638591253 451593970 /nfs/dbraw/zinc/59/39/70/451593970.db2.gz FRCFRKLAJFHLAY-GOSISDBHSA-N 2 0 333.476 1.593 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638613515 451607429 /nfs/dbraw/zinc/60/74/29/451607429.db2.gz XVOACPNTNGTTLB-CEXWTWQISA-N 2 0 343.471 1.249 20 0 EDADRP CCNC(=O)COc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000634999178 451643899 /nfs/dbraw/zinc/64/38/99/451643899.db2.gz QXQXCVRXVKIXQY-UKRRQHHQSA-N 2 0 335.448 1.237 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1cccc(C(F)(F)F)c1 ZINC000638831052 451704626 /nfs/dbraw/zinc/70/46/26/451704626.db2.gz WIOCNLLSQQZCJD-LJISPDSOSA-N 2 0 341.377 1.890 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638726956 451667379 /nfs/dbraw/zinc/66/73/79/451667379.db2.gz YUJZRTAZXVHMKC-UHFFFAOYSA-N 2 0 341.540 1.701 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000638727685 451667566 /nfs/dbraw/zinc/66/75/66/451667566.db2.gz IRFAWLUUFARKNM-UHFFFAOYSA-N 2 0 331.460 1.862 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cn2)CC1 ZINC000632961492 451670080 /nfs/dbraw/zinc/67/00/80/451670080.db2.gz RTWYMXGNUKWYMF-HDJSIYSDSA-N 2 0 334.468 1.789 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCC3(C)CC[NH2+]CC3)cn2)CC1 ZINC000632961323 451670570 /nfs/dbraw/zinc/67/05/70/451670570.db2.gz QYPIFQIHTQKRLU-UHFFFAOYSA-N 2 0 334.468 1.661 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)cn2)CC1 ZINC000632961218 451670595 /nfs/dbraw/zinc/67/05/95/451670595.db2.gz PMLCWLPAWUHOJV-GOSISDBHSA-N 2 0 346.479 1.757 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000638980409 451744800 /nfs/dbraw/zinc/74/48/00/451744800.db2.gz MBALZWUYXPIMMO-AWEZNQCLSA-N 2 0 334.468 1.149 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1 ZINC000638985498 451746806 /nfs/dbraw/zinc/74/68/06/451746806.db2.gz IKLBBKFIFYKISW-UHFFFAOYSA-N 2 0 325.416 1.245 20 0 EDADRP O=C(Cc1cn2ccccc2n1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638986569 451747055 /nfs/dbraw/zinc/74/70/55/451747055.db2.gz UIFPGXNYWGHSDH-UHFFFAOYSA-N 2 0 336.399 1.320 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000637207526 451756407 /nfs/dbraw/zinc/75/64/07/451756407.db2.gz YZOVHVYBXYWXBW-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP CO[C@@]1(C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000639171222 451784734 /nfs/dbraw/zinc/78/47/34/451784734.db2.gz KICNIZHIXJFIOZ-HXUWFJFHSA-N 2 0 347.503 1.542 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000644524026 451839833 /nfs/dbraw/zinc/83/98/33/451839833.db2.gz LQFNPOBAIKLKLL-FGTMMUONSA-N 2 0 332.444 1.845 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000642022805 451807316 /nfs/dbraw/zinc/80/73/16/451807316.db2.gz HPBWSPKFXNFXFN-VGDLYXLISA-N 2 0 332.492 1.533 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000637379859 451813095 /nfs/dbraw/zinc/81/30/95/451813095.db2.gz JUMHPFZNOKSFFU-QZTJIDSGSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000642113223 451824112 /nfs/dbraw/zinc/82/41/12/451824112.db2.gz MHCYALXMNJVLTF-NVXWUHKLSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)C[C@@H]1C(C)(C)C1(F)F ZINC000641315789 451838369 /nfs/dbraw/zinc/83/83/69/451838369.db2.gz JBDOYXCQPRRYOQ-GFCCVEGCSA-N 2 0 341.468 1.033 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000642257929 451846589 /nfs/dbraw/zinc/84/65/89/451846589.db2.gz LIEAXYVXVOTXKM-MRXNPFEDSA-N 2 0 338.496 1.017 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000644548901 451855097 /nfs/dbraw/zinc/85/50/97/451855097.db2.gz ZSWVKSMIQLZSGJ-YOEHRIQHSA-N 2 0 325.884 1.469 20 0 EDADRP CC(C)OC[C@H](O)C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000644580842 451874756 /nfs/dbraw/zinc/87/47/56/451874756.db2.gz ZAPCJIRSBWPGEI-LJQANCHMSA-N 2 0 336.476 1.519 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000639452405 451875311 /nfs/dbraw/zinc/87/53/11/451875311.db2.gz BGRGHSIJAZQIOX-UHFFFAOYSA-N 2 0 348.491 1.847 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000639452542 451875641 /nfs/dbraw/zinc/87/56/41/451875641.db2.gz DLZUMLTZZCWGDY-WMZOPIPTSA-N 2 0 339.524 1.972 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000642439320 451878822 /nfs/dbraw/zinc/87/88/22/451878822.db2.gz BHKWEZOHOVAZRH-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2ncccn2n1 ZINC000646857571 451893177 /nfs/dbraw/zinc/89/31/77/451893177.db2.gz FYLWTNQCVFJPMX-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCc4ncnn43)CC2)CC1 ZINC000639551513 451939610 /nfs/dbraw/zinc/93/96/10/451939610.db2.gz BGWFZBYMLOTBKY-QGZVFWFLSA-N 2 0 332.496 1.256 20 0 EDADRP COCCC1(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)CC[NH2+]CC1 ZINC000649277549 451947956 /nfs/dbraw/zinc/94/79/56/451947956.db2.gz DCRSPGOKGIQLGW-AWEZNQCLSA-N 2 0 339.505 1.873 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCCC[N@H+]2CCCC[C@H]2C)cnn1C ZINC000649280942 451953219 /nfs/dbraw/zinc/95/32/19/451953219.db2.gz XJYGJMAFSFLMRL-OLMNPRSZSA-N 2 0 347.507 1.412 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC2CC[NH+](CC(C)C)CC2)cnn1C ZINC000649285031 451958123 /nfs/dbraw/zinc/95/81/23/451958123.db2.gz WTAMQZUHVVCOEY-MSOLQXFVSA-N 2 0 347.507 1.268 20 0 EDADRP COC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000649287588 451960982 /nfs/dbraw/zinc/96/09/82/451960982.db2.gz SEQLUVSDXDWLOR-FQEVSTJZSA-N 2 0 345.487 1.798 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000649292535 451967112 /nfs/dbraw/zinc/96/71/12/451967112.db2.gz OHWGZUHMFCZGGM-FUHWJXTLSA-N 2 0 325.497 1.628 20 0 EDADRP COCCC1(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293137 451969938 /nfs/dbraw/zinc/96/99/38/451969938.db2.gz AHKPDMPGQJGVHI-HZPDHXFCSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649294776 451971729 /nfs/dbraw/zinc/97/17/29/451971729.db2.gz BAFXLTWBDJXBFX-GJZGRUSLSA-N 2 0 334.468 1.197 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CCSC1 ZINC000649296439 451973702 /nfs/dbraw/zinc/97/37/02/451973702.db2.gz GAMXVVIJFSQYEC-DZGCQCFKSA-N 2 0 327.881 1.893 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000649299467 451977299 /nfs/dbraw/zinc/97/72/99/451977299.db2.gz XPWMCNHOQKRRJR-LSDHHAIUSA-N 2 0 325.522 1.839 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000649311409 451989053 /nfs/dbraw/zinc/98/90/53/451989053.db2.gz OGUVPUFGQXXKKQ-LMMKCTJWSA-N 2 0 337.508 1.868 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCC[NH2+]1 ZINC000649311052 451990194 /nfs/dbraw/zinc/99/01/94/451990194.db2.gz XYAWDIFHVBPIIR-IEBWSBKVSA-N 2 0 337.508 1.726 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000649320076 451997923 /nfs/dbraw/zinc/99/79/23/451997923.db2.gz NOYORVLHPUJZFC-MJGOQNOKSA-N 2 0 345.487 1.635 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000637651642 451999038 /nfs/dbraw/zinc/99/90/38/451999038.db2.gz MBHOOZDUXCHSIZ-WMZOPIPTSA-N 2 0 330.476 1.902 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000649326549 452007261 /nfs/dbraw/zinc/00/72/61/452007261.db2.gz BNEPLCWXYJLYNO-MZZPOWALSA-N 2 0 335.492 1.604 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000649336732 452017864 /nfs/dbraw/zinc/01/78/64/452017864.db2.gz QUMVDBQOCJNWBS-MNZLEMJZSA-N 2 0 345.487 1.638 20 0 EDADRP Cc1ccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000637688519 452019859 /nfs/dbraw/zinc/01/98/59/452019859.db2.gz SGYNBJKIWVBWOJ-MRXNPFEDSA-N 2 0 334.464 1.898 20 0 EDADRP C[C@H]1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649344859 452027113 /nfs/dbraw/zinc/02/71/13/452027113.db2.gz VELVAPKQWDZLIA-LPHOPBHVSA-N 2 0 330.476 1.142 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[NH2+]C[C@@H]2CCCO2)c2ccccc2O1 ZINC000649347009 452030840 /nfs/dbraw/zinc/03/08/40/452030840.db2.gz ABJORCYFYKOABW-LSDHHAIUSA-N 2 0 333.432 1.111 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000649351833 452035059 /nfs/dbraw/zinc/03/50/59/452035059.db2.gz WVMROBSRYTVFMS-LZQZEXGQSA-N 2 0 340.471 1.908 20 0 EDADRP C[C@H](NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000649351719 452035549 /nfs/dbraw/zinc/03/55/49/452035549.db2.gz MDPBTXDNZCZDMO-BWUSGFMJSA-N 2 0 346.450 1.220 20 0 EDADRP [NH3+]C[C@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078562 452046574 /nfs/dbraw/zinc/04/65/74/452046574.db2.gz BBKFXMBJYONOCZ-HOCLYGCPSA-N 2 0 335.423 1.082 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[NH2+]C34CCCC4)ccn2)CC1 ZINC000649372549 452048153 /nfs/dbraw/zinc/04/81/53/452048153.db2.gz BXIBJIHXJXCHLI-MRXNPFEDSA-N 2 0 343.475 1.238 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000647094184 452056740 /nfs/dbraw/zinc/05/67/40/452056740.db2.gz WQUXELJBWVIVII-YZEYPORGSA-N 2 0 331.504 1.892 20 0 EDADRP C[N@H+](CCN1CCC([NH+]2CCC[C@H]2C(N)=O)CC1)Cc1ccccc1 ZINC000649393393 452061577 /nfs/dbraw/zinc/06/15/77/452061577.db2.gz GCMYZJHEUCXFKN-IBGZPJMESA-N 2 0 344.503 1.533 20 0 EDADRP Cn1cc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649418224 452080179 /nfs/dbraw/zinc/08/01/79/452080179.db2.gz LCZMXBXGIYKPAE-JZXOWHBKSA-N 2 0 345.491 1.627 20 0 EDADRP COC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000637798509 452089029 /nfs/dbraw/zinc/08/90/29/452089029.db2.gz HSOROXMFIYROTO-FQEVSTJZSA-N 2 0 345.487 1.880 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000637833151 452107382 /nfs/dbraw/zinc/10/73/82/452107382.db2.gz ONOBPYQBWQUXLP-AWEZNQCLSA-N 2 0 344.381 1.069 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000643328087 452135060 /nfs/dbraw/zinc/13/50/60/452135060.db2.gz DLTNZPUIUMPTMO-ZDUSSCGKSA-N 2 0 327.423 1.616 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)NC1CC[NH+](C3CC3)CC1)CCO2 ZINC000645142433 452175189 /nfs/dbraw/zinc/17/51/89/452175189.db2.gz FQHVKSRCWAUFGR-UHFFFAOYSA-N 2 0 336.480 1.119 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@]2(O)CCOC2)[C@@H](C)C1 ZINC000647340727 452182295 /nfs/dbraw/zinc/18/22/95/452182295.db2.gz NNRUXSOLCRNUDI-JENIJYKNSA-N 2 0 342.524 1.891 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2[NH2+]CC2(C)C)[NH+]2CCCC2)cc1 ZINC000645160088 452184238 /nfs/dbraw/zinc/18/42/38/452184238.db2.gz YOUPIJIQJBQVRP-IRXDYDNUSA-N 2 0 331.460 1.946 20 0 EDADRP CN1CCN([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)c2cccs2)CC1 ZINC000645183297 452199319 /nfs/dbraw/zinc/19/93/19/452199319.db2.gz UDSFIHVUCSJQQK-CABCVRRESA-N 2 0 336.505 1.152 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000639881206 452216871 /nfs/dbraw/zinc/21/68/71/452216871.db2.gz VAAVAOPTYJBWEK-DLBZAZTESA-N 2 0 327.513 1.263 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1(C)C ZINC000641750045 452236674 /nfs/dbraw/zinc/23/66/74/452236674.db2.gz GVUNSXBZZNIVSU-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000643481262 452244142 /nfs/dbraw/zinc/24/41/42/452244142.db2.gz AWSCMBXXEQCIPM-YOEHRIQHSA-N 2 0 337.489 1.704 20 0 EDADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657432395 452247420 /nfs/dbraw/zinc/24/74/20/452247420.db2.gz NAGMNCHRTCDUDW-SFHVURJKSA-N 2 0 326.444 1.686 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659431894 452276547 /nfs/dbraw/zinc/27/65/47/452276547.db2.gz RQKOPZKWGLZDGI-QGZVFWFLSA-N 2 0 333.480 1.719 20 0 EDADRP [NH3+]C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCC1 ZINC000659437596 452284857 /nfs/dbraw/zinc/28/48/57/452284857.db2.gz DSLKCSDDLBJKNG-UHFFFAOYSA-N 2 0 340.537 1.919 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659438163 452285990 /nfs/dbraw/zinc/28/59/90/452285990.db2.gz PITNVIIVAKARGE-TVRKMHQQSA-N 2 0 328.460 1.702 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659442648 452291762 /nfs/dbraw/zinc/29/17/62/452291762.db2.gz RBQULSYHISTBGJ-PSPFXIJKSA-N 2 0 328.460 1.873 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000638047389 452314776 /nfs/dbraw/zinc/31/47/76/452314776.db2.gz GKTXNXPWYRJDMR-SFHVURJKSA-N 2 0 334.508 1.681 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000659462154 452316321 /nfs/dbraw/zinc/31/63/21/452316321.db2.gz UNDGVVMYCONBAC-UHFFFAOYSA-N 2 0 339.528 1.315 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)CCO)CC1 ZINC000649866056 452325690 /nfs/dbraw/zinc/32/56/90/452325690.db2.gz KOVDLJJRDPBULW-KRWDZBQOSA-N 2 0 347.503 1.778 20 0 EDADRP CC1(C)CN(CCNC(=O)NCc2ccc(C[NH3+])cc2F)CCO1 ZINC000652143531 452336182 /nfs/dbraw/zinc/33/61/82/452336182.db2.gz BXHQZCLTGOGRFU-UHFFFAOYSA-N 2 0 338.427 1.194 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659481642 452341734 /nfs/dbraw/zinc/34/17/34/452341734.db2.gz JTMHYUMUNWUQMC-MWQQHZPXSA-N 2 0 334.439 1.588 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659492769 452355569 /nfs/dbraw/zinc/35/55/69/452355569.db2.gz KFFINTJGTQGTSH-HCMQPCSISA-N 2 0 328.460 1.701 20 0 EDADRP CN(C)c1ncc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657593650 452360880 /nfs/dbraw/zinc/36/08/80/452360880.db2.gz BEBAQMFCDOGWGE-GOSISDBHSA-N 2 0 341.459 1.399 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174516 452368340 /nfs/dbraw/zinc/36/83/40/452368340.db2.gz WOSZHNGYVNVYQD-XMTFNYHQSA-N 2 0 346.475 1.437 20 0 EDADRP C[C@@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070538 452377032 /nfs/dbraw/zinc/37/70/32/452377032.db2.gz YYOZPPSBTHOOQS-ZIFCJYIRSA-N 2 0 346.519 1.825 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659538112 452397846 /nfs/dbraw/zinc/39/78/46/452397846.db2.gz VTCHOWRLBAFFOK-JLSDUUJJSA-N 2 0 346.475 1.050 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638081531 452398181 /nfs/dbraw/zinc/39/81/81/452398181.db2.gz ABJQGXNJHOLHJI-BBRMVZONSA-N 2 0 325.416 1.501 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652220180 452413097 /nfs/dbraw/zinc/41/30/97/452413097.db2.gz WTSNBUKLFRZCRI-QKPAOTATSA-N 2 0 326.485 1.432 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616320 452473861 /nfs/dbraw/zinc/47/38/61/452473861.db2.gz FRSFZWCOWDHLQQ-UHFFFAOYSA-N 2 0 334.439 1.651 20 0 EDADRP CN(C(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659616503 452475713 /nfs/dbraw/zinc/47/57/13/452475713.db2.gz LERMWIZCUFVDOL-HFCFLWKCSA-N 2 0 328.460 1.654 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(CC)C2)[C@@H](C)C1 ZINC000652297715 452479803 /nfs/dbraw/zinc/47/98/03/452479803.db2.gz XQMNBEWCYFADIL-ULQDDVLXSA-N 2 0 325.497 1.581 20 0 EDADRP CCS(=O)(=O)C1(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000657757578 452505328 /nfs/dbraw/zinc/50/53/28/452505328.db2.gz KTNQVMQRNNABJS-UHFFFAOYSA-N 2 0 340.489 1.684 20 0 EDADRP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000647789781 452522303 /nfs/dbraw/zinc/52/23/03/452522303.db2.gz LKAQEGNRGIQXFV-HZMVEIRTSA-N 2 0 325.522 1.172 20 0 EDADRP O[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCN(Cc2ccccc2)C1 ZINC000647792960 452523857 /nfs/dbraw/zinc/52/38/57/452523857.db2.gz GMMHBLVMTIPEPX-HAGHYFMRSA-N 2 0 329.488 1.601 20 0 EDADRP O=C1[C@H]([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccn1 ZINC000647794236 452525842 /nfs/dbraw/zinc/52/58/42/452525842.db2.gz VOFZDFZUHNPPKT-LISAXSMJSA-N 2 0 328.460 1.550 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647798937 452530734 /nfs/dbraw/zinc/53/07/34/452530734.db2.gz ZBLWWMMDCMQGCJ-OWCLPIDISA-N 2 0 337.489 1.415 20 0 EDADRP Cn1cnc(CCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000647800586 452532533 /nfs/dbraw/zinc/53/25/33/452532533.db2.gz GGRLHNINTGGJBC-QAPCUYQASA-N 2 0 327.432 1.593 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000659680748 452552187 /nfs/dbraw/zinc/55/21/87/452552187.db2.gz KAEFUOYBOVVOPZ-HNNXBMFYSA-N 2 0 346.475 1.013 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000657868881 452580055 /nfs/dbraw/zinc/58/00/55/452580055.db2.gz QZWXREYWNTTXOM-SJLPKXTDSA-N 2 0 328.464 1.245 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666151178 452644548 /nfs/dbraw/zinc/64/45/48/452644548.db2.gz FHNIEKFEMJPETD-UHFFFAOYSA-N 2 0 347.507 1.887 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1 ZINC000655916062 452677133 /nfs/dbraw/zinc/67/71/33/452677133.db2.gz ZMDGRLPVKAFEJA-CYBMUJFWSA-N 2 0 332.370 1.827 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685222 452687249 /nfs/dbraw/zinc/68/72/49/452687249.db2.gz WCIMFXMUCHDVDX-ZFWWWQNUSA-N 2 0 340.265 1.833 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655923096 452688228 /nfs/dbraw/zinc/68/82/28/452688228.db2.gz UEPIAHYTVQSQEG-YPMHNXCESA-N 2 0 332.370 1.696 20 0 EDADRP C[NH+](C)C[C@H]1CCN(CC2(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)C1 ZINC000647971191 452715736 /nfs/dbraw/zinc/71/57/36/452715736.db2.gz YAWHUVLZFTWRAB-KDURUIRLSA-N 3 0 336.568 1.924 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000661976006 452730591 /nfs/dbraw/zinc/73/05/91/452730591.db2.gz QOBYYELFZQGXTM-IXDOHACOSA-N 2 0 336.480 1.166 20 0 EDADRP COCC1(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@H]23)CC[NH2+]CC1 ZINC000655966605 452748326 /nfs/dbraw/zinc/74/83/26/452748326.db2.gz BKGVGVNUYXAZCJ-JKSUJKDBSA-N 2 0 338.496 1.319 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652624853 452783626 /nfs/dbraw/zinc/78/36/26/452783626.db2.gz ONIALFVRKADBEM-UHFFFAOYSA-N 2 0 334.464 1.439 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000652701846 452852400 /nfs/dbraw/zinc/85/24/00/452852400.db2.gz KEQSSUAPLPJYAV-HNNXBMFYSA-N 2 0 348.491 1.417 20 0 EDADRP COCCC1(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC[NH2+]CC1 ZINC000648143507 452855858 /nfs/dbraw/zinc/85/58/58/452855858.db2.gz SUKCUGWEHXYHQR-IAGOWNOFSA-N 2 0 337.508 1.631 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)C(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])CC1 ZINC000656104229 452862648 /nfs/dbraw/zinc/86/26/48/452862648.db2.gz KVEWMMVCIHSIRI-CABCVRRESA-N 2 0 338.496 1.048 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000648177852 452889335 /nfs/dbraw/zinc/88/93/35/452889335.db2.gz XUNMYRAARZXAON-HOTGVXAUSA-N 2 0 346.475 1.284 20 0 EDADRP COc1c(N)ncnc1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664234751 452909588 /nfs/dbraw/zinc/90/95/88/452909588.db2.gz AFUKQYNGKHWMMO-CQSZACIVSA-N 2 0 329.404 1.246 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000645955477 452934699 /nfs/dbraw/zinc/93/46/99/452934699.db2.gz ZQJQANLJLZWGSH-OAHLLOKOSA-N 2 0 337.508 1.914 20 0 EDADRP CC[C@H](OCC[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000650710758 452948156 /nfs/dbraw/zinc/94/81/56/452948156.db2.gz YYFSBUUEQJTZFP-AEFFLSMTSA-N 2 0 333.476 1.941 20 0 EDADRP C[C@H](CNc1ccnc(N2CCOCC2)n1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656211258 452964053 /nfs/dbraw/zinc/96/40/53/452964053.db2.gz QWVHIKMLROFVQL-KFWWJZLASA-N 2 0 335.452 1.223 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH2+]Cc4ccccc43)C2)CC1 ZINC000645977734 452965608 /nfs/dbraw/zinc/96/56/08/452965608.db2.gz KDZPULNYZFYTKA-APWZRJJASA-N 2 0 342.487 1.158 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CCC1CC[NH2+]CC1 ZINC000650762275 452977970 /nfs/dbraw/zinc/97/79/70/452977970.db2.gz YWLCCYAFNRNNNG-AWEZNQCLSA-N 2 0 339.505 1.991 20 0 EDADRP Cc1cc(C(=O)NC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)c(C)o1 ZINC000662255116 452982837 /nfs/dbraw/zinc/98/28/37/452982837.db2.gz AATOTMWSQSLOEN-INIZCTEOSA-N 2 0 347.459 1.612 20 0 EDADRP Cc1cc(N2CC[C@H]([NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000662291361 453014394 /nfs/dbraw/zinc/01/43/94/453014394.db2.gz FNCSVFYBNGUJRD-IRXDYDNUSA-N 2 0 345.491 1.545 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000664410256 453072203 /nfs/dbraw/zinc/07/22/03/453072203.db2.gz UGDCMSNSQNNJHO-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000662364697 453076626 /nfs/dbraw/zinc/07/66/26/453076626.db2.gz KBRAGEXQUOQIDK-KRWDZBQOSA-N 2 0 347.507 1.461 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccsc1 ZINC000662383507 453092438 /nfs/dbraw/zinc/09/24/38/453092438.db2.gz AEIITUSHIGMFMU-CQSZACIVSA-N 2 0 336.465 1.111 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662402925 453115354 /nfs/dbraw/zinc/11/53/54/453115354.db2.gz GPZZATQOSUXIKI-UONOGXRCSA-N 2 0 334.464 1.992 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000662434400 453142825 /nfs/dbraw/zinc/14/28/25/453142825.db2.gz BBGWDKMOMFOSBT-GOEBONIOSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662440139 453146596 /nfs/dbraw/zinc/14/65/96/453146596.db2.gz WMAWIFZLXRVDAW-UHFFFAOYSA-N 2 0 338.371 1.975 20 0 EDADRP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000646141430 453150121 /nfs/dbraw/zinc/15/01/21/453150121.db2.gz YDKAZTFKTIICNW-SCTDSRPQSA-N 2 0 345.487 1.737 20 0 EDADRP C[C@@H](NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+])C1CC[NH+](C)CC1 ZINC000646189438 453202563 /nfs/dbraw/zinc/20/25/63/453202563.db2.gz IVKLKIWWTNXHQF-KDOFPFPSSA-N 2 0 330.476 1.984 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000656540566 453263994 /nfs/dbraw/zinc/26/39/94/453263994.db2.gz LJMCEBLIMDVICH-HNNXBMFYSA-N 2 0 334.464 1.322 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662573932 453300664 /nfs/dbraw/zinc/30/06/64/453300664.db2.gz IDWJAZRZJBZAOT-GGPKGHCWSA-N 2 0 343.471 1.966 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662592575 453318878 /nfs/dbraw/zinc/31/88/78/453318878.db2.gz ZBIHUIGGCNRSDQ-MRXNPFEDSA-N 2 0 346.475 1.993 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@@H+]1C ZINC000648844113 453323335 /nfs/dbraw/zinc/32/33/35/453323335.db2.gz LNPJUPPJEMNUGJ-RHSMWYFYSA-N 2 0 331.460 1.922 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000646377628 453355222 /nfs/dbraw/zinc/35/52/22/453355222.db2.gz DYVIXCQPMHWBGI-JFIYKMOQSA-N 2 0 345.491 1.659 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000646385543 453359616 /nfs/dbraw/zinc/35/96/16/453359616.db2.gz WQEYRECBOHRAQB-HZPDHXFCSA-N 2 0 330.476 1.874 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664732792 453361540 /nfs/dbraw/zinc/36/15/40/453361540.db2.gz ZZWVDISNTHUADS-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)N1CCC[C@@H]([C@@H]3C[C@H]([NH3+])CCO3)C1)C2 ZINC000653183172 453373914 /nfs/dbraw/zinc/37/39/14/453373914.db2.gz AKGBQVLUUGJVNA-WYCYBMCHSA-N 2 0 349.519 1.885 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CCN(C3CC[NH+](C)CC3)C1)CO2 ZINC000651228298 453377954 /nfs/dbraw/zinc/37/79/54/453377954.db2.gz OFTMFYLRQPKVFR-IRXDYDNUSA-N 2 0 345.487 1.757 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000662668897 453381713 /nfs/dbraw/zinc/38/17/13/453381713.db2.gz SDBHOAJHNPOHQD-CABCVRRESA-N 2 0 346.479 1.167 20 0 EDADRP CC(C)C[C@@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+](C)C ZINC000662672496 453388459 /nfs/dbraw/zinc/38/84/59/453388459.db2.gz ABEWKXNKBULCQS-GJZGRUSLSA-N 2 0 336.484 1.299 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662673503 453388646 /nfs/dbraw/zinc/38/86/46/453388646.db2.gz LMEITLPMAQWIOO-ZWKOTPCHSA-N 2 0 331.460 1.393 20 0 EDADRP CC[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662680394 453399653 /nfs/dbraw/zinc/39/96/53/453399653.db2.gz TVFQIUDKLQXAAC-FGTMMUONSA-N 2 0 331.460 1.303 20 0 EDADRP C[C@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)[N@@H+]1CCC[C@@H](C)C1 ZINC000662680737 453400330 /nfs/dbraw/zinc/40/03/30/453400330.db2.gz XDQMMQVWYPSAFU-BZUAXINKSA-N 2 0 348.495 1.443 20 0 EDADRP C[C@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1CC[NH3+] ZINC000653241236 453422710 /nfs/dbraw/zinc/42/27/10/453422710.db2.gz YTTIPBSSTAZNOW-RDJZCZTQSA-N 2 0 345.491 1.423 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662711377 453436463 /nfs/dbraw/zinc/43/64/63/453436463.db2.gz AOBZSWSNQMBTOG-MOPGFXCFSA-N 2 0 345.487 1.721 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787228 453447271 /nfs/dbraw/zinc/44/72/71/453447271.db2.gz HNXNAPKZMYSBHR-SPUZQDLCSA-N 2 0 341.455 1.492 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660634709 453477324 /nfs/dbraw/zinc/47/73/24/453477324.db2.gz SYTAZEULOVYNLS-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+]1CCN(CCNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC1 ZINC000662754630 453491984 /nfs/dbraw/zinc/49/19/84/453491984.db2.gz SGOAWGIFBROQNB-QGZVFWFLSA-N 2 0 330.476 1.042 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1nccn1C ZINC000667257652 453518441 /nfs/dbraw/zinc/51/84/41/453518441.db2.gz RMXKOBCLHOFDIY-OAHLLOKOSA-N 2 0 338.500 1.396 20 0 EDADRP CC[NH2+]CCCNC(=O)[C@H](C)N1CCN(c2ccc(F)cc2)CC1 ZINC000646625134 453521616 /nfs/dbraw/zinc/52/16/16/453521616.db2.gz RNJXISHPBYZZQS-HNNXBMFYSA-N 2 0 336.455 1.452 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000662814314 453546959 /nfs/dbraw/zinc/54/69/59/453546959.db2.gz HVMJWPFTVHUWLY-UHFFFAOYSA-N 2 0 342.487 1.279 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)CC2)C1 ZINC000662814241 453547150 /nfs/dbraw/zinc/54/71/50/453547150.db2.gz BETNZYFQVGOLHH-VNHYZAJKSA-N 2 0 349.397 1.273 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662816694 453547629 /nfs/dbraw/zinc/54/76/29/453547629.db2.gz YKEVSFDVCBQQAV-VNHYZAJKSA-N 2 0 349.397 1.273 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000660734169 453554188 /nfs/dbraw/zinc/55/41/88/453554188.db2.gz HZEYQJSTGDDOIA-SFHVURJKSA-N 2 0 344.503 1.869 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1Cc1ccccc1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000667330022 453562735 /nfs/dbraw/zinc/56/27/35/453562735.db2.gz WQLJKBIDLYTOSR-RTBURBONSA-N 2 0 340.471 1.917 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662859477 453574176 /nfs/dbraw/zinc/57/41/76/453574176.db2.gz NGRLHIINHJBHHD-GBESFXJTSA-N 2 0 343.471 1.400 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CCC[NH2+]CC2)cc1 ZINC000662867552 453579460 /nfs/dbraw/zinc/57/94/60/453579460.db2.gz BSBDSODRGCUWOI-SZMVWBNQSA-N 2 0 331.460 1.647 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000660827833 453591897 /nfs/dbraw/zinc/59/18/97/453591897.db2.gz QWVXNYWODVQGPO-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900255 453593523 /nfs/dbraw/zinc/59/35/23/453593523.db2.gz KTTXHPBKBTXRFV-MRXNPFEDSA-N 2 0 334.508 1.275 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665172939 453600663 /nfs/dbraw/zinc/60/06/63/453600663.db2.gz NHVWSQKXFWZUGA-UHFFFAOYSA-N 3 0 327.517 1.042 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000662925509 453608075 /nfs/dbraw/zinc/60/80/75/453608075.db2.gz AIXLHJHCWJYREM-GOSISDBHSA-N 2 0 332.492 1.537 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240923 453621202 /nfs/dbraw/zinc/62/12/02/453621202.db2.gz VZHTUVJRTFFQEU-QFBILLFUSA-N 2 0 332.492 1.650 20 0 EDADRP C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662972750 453630501 /nfs/dbraw/zinc/63/05/01/453630501.db2.gz LFIZDAAYGSPGSL-CGTJXYLNSA-N 2 0 333.476 1.892 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC000665287741 453636897 /nfs/dbraw/zinc/63/68/97/453636897.db2.gz SUHKJYHLUFIPAI-HOTGVXAUSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000661035873 453689226 /nfs/dbraw/zinc/68/92/26/453689226.db2.gz BDYZNPDIYZMPET-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP CCCn1nccc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000657339352 453769456 /nfs/dbraw/zinc/76/94/56/453769456.db2.gz CGEJNDHUBJLPEW-UHFFFAOYSA-N 2 0 342.491 1.990 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000663448545 453801093 /nfs/dbraw/zinc/80/10/93/453801093.db2.gz ZWNORNCKMHHQMX-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662720024 486660663 /nfs/dbraw/zinc/66/06/63/486660663.db2.gz OVIYTIDIZJQGCR-OAHLLOKOSA-N 2 0 349.397 1.290 20 0 EDADRP C[C@H]([NH2+]CCCN1C(=O)c2ccccc2C1=O)C1CC[NH+](C)CC1 ZINC000671768383 486746376 /nfs/dbraw/zinc/74/63/76/486746376.db2.gz SELUXMKDFLVLEA-AWEZNQCLSA-N 2 0 329.444 1.993 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cncc(COC)c1 ZINC000680927818 486896005 /nfs/dbraw/zinc/89/60/05/486896005.db2.gz RDBMRLITPICMEC-GOSISDBHSA-N 2 0 348.491 1.716 20 0 EDADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512683 487030593 /nfs/dbraw/zinc/03/05/93/487030593.db2.gz MAFLENLQXROBCX-RTBURBONSA-N 2 0 343.471 1.564 20 0 EDADRP Cc1ccc(CCC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000684358492 487037381 /nfs/dbraw/zinc/03/73/81/487037381.db2.gz ZUWGLPVAOOHAMR-UHFFFAOYSA-N 2 0 332.492 1.712 20 0 EDADRP Cn1nnnc1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678499541 487319770 /nfs/dbraw/zinc/31/97/70/487319770.db2.gz YTFYCIJMVGMZIV-UHFFFAOYSA-N 2 0 330.436 1.017 20 0 EDADRP CC(C)c1cnc(CN(C)[C@H]2CCN(C(=O)[C@H]3CCC[N@@H+]3C)C2)o1 ZINC000675233567 487391872 /nfs/dbraw/zinc/39/18/72/487391872.db2.gz WUDXNMLTVZPZIW-LSDHHAIUSA-N 2 0 334.464 1.925 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCN(c4cnccn4)CC3)C2)CC1 ZINC000675875339 487455957 /nfs/dbraw/zinc/45/59/57/487455957.db2.gz SGMAXPROOAEWMM-KRWDZBQOSA-N 2 0 344.507 1.204 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942715 485476511 /nfs/dbraw/zinc/47/65/11/485476511.db2.gz MFEZOEOXCQWOSF-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(C)([NH3+])CC1)c1ccc(Br)cc1 ZINC000669514576 485479953 /nfs/dbraw/zinc/47/99/53/485479953.db2.gz PGOSOHXYWWVZGV-HNNXBMFYSA-N 2 0 340.265 1.963 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669513916 485480691 /nfs/dbraw/zinc/48/06/91/485480691.db2.gz VRZMAHWGIBNEOY-WBVHZDCISA-N 2 0 338.496 1.269 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)Cc1ccc(F)cc1 ZINC000669518040 485483030 /nfs/dbraw/zinc/48/30/30/485483030.db2.gz UPAKNEPQBINUJQ-NVXWUHKLSA-N 2 0 334.439 1.651 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000669552151 485547562 /nfs/dbraw/zinc/54/75/62/485547562.db2.gz ABRUSAAWUVUPBZ-OAHLLOKOSA-N 2 0 334.464 1.350 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC[C@H]2CCC[NH2+]2)CCC[N@@H+]1C ZINC000669583392 485632511 /nfs/dbraw/zinc/63/25/11/485632511.db2.gz SNEFWQMLNAOUIV-ZMSDIMECSA-N 2 0 348.495 1.244 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCO1 ZINC000669583556 485632692 /nfs/dbraw/zinc/63/26/92/485632692.db2.gz WJMBZSKIRGCVSX-OTRWWLKZSA-N 2 0 334.464 1.435 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000457091534 485651223 /nfs/dbraw/zinc/65/12/23/485651223.db2.gz MWQAKYKEAMBAFJ-INIZCTEOSA-N 2 0 334.464 1.577 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000669139183 485728598 /nfs/dbraw/zinc/72/85/98/485728598.db2.gz AMUNLQZWIVOXRX-WBVHZDCISA-N 2 0 332.448 1.130 20 0 EDADRP CCC(CC)(C[NH3+])C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000236646313 485930879 /nfs/dbraw/zinc/93/08/79/485930879.db2.gz ZDYWBGHVHQHDQH-IRXDYDNUSA-N 2 0 338.540 1.769 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668623260 485963304 /nfs/dbraw/zinc/96/33/04/485963304.db2.gz IXPATYGAMCSIHM-OWCLPIDISA-N 2 0 332.448 1.810 20 0 EDADRP Cc1nc(CN2CCC(CNC(=O)CC3([NH3+])CCC3)CC2)oc1C ZINC000237720226 485999944 /nfs/dbraw/zinc/99/99/44/485999944.db2.gz FCYPEZFYSLEBLF-UHFFFAOYSA-N 2 0 334.464 1.891 20 0 EDADRP O=C1COc2ccc(C[NH2+]C3CCN([C@@H]4CCOC4)CC3)cc2N1 ZINC000668691770 486055641 /nfs/dbraw/zinc/05/56/41/486055641.db2.gz BUWWNNMTFZRZON-OAHLLOKOSA-N 2 0 331.416 1.360 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000669418667 486137956 /nfs/dbraw/zinc/13/79/56/486137956.db2.gz XXXSBWVKOXNVIB-YJBOKZPZSA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000669420398 486139479 /nfs/dbraw/zinc/13/94/79/486139479.db2.gz LLQLXVOTGWIUNF-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)C1 ZINC000669474360 486227873 /nfs/dbraw/zinc/22/78/73/486227873.db2.gz GRTXSEUSPJEKPT-BZUAXINKSA-N 2 0 340.512 1.645 20 0 EDADRP C[NH+](C)CCOc1ccc(CN2CC[N@H+](CCO)C(C)(C)C2)cc1 ZINC000682166255 486560824 /nfs/dbraw/zinc/56/08/24/486560824.db2.gz KWCKMXLJYZLHAS-UHFFFAOYSA-N 2 0 335.492 1.516 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@@H](O)C1CC1 ZINC000305694235 491243924 /nfs/dbraw/zinc/24/39/24/491243924.db2.gz BRBXAVQTXQLBPC-AYOQOUSVSA-N 2 0 345.487 1.468 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000290306288 517480214 /nfs/dbraw/zinc/48/02/14/517480214.db2.gz ZGQRBKKVJWCONN-QZTJIDSGSA-N 2 0 330.476 1.796 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CC1=CC[NH2+]CC1 ZINC000423359291 518182570 /nfs/dbraw/zinc/18/25/70/518182570.db2.gz UVWWDPGROREKQZ-LLVKDONJSA-N 2 0 326.238 1.509 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000168096499 534590668 /nfs/dbraw/zinc/59/06/68/534590668.db2.gz DGSVRYWGWPKMAM-LJQANCHMSA-N 2 0 345.487 1.548 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@H]2CC[NH2+]C2)ccc1OC ZINC000166185564 528151110 /nfs/dbraw/zinc/15/11/10/528151110.db2.gz NCFAVJAMDZPWOO-AWEZNQCLSA-N 2 0 335.448 1.964 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000173997501 528291913 /nfs/dbraw/zinc/29/19/13/528291913.db2.gz HVTYFGNUNMAESM-IRXDYDNUSA-N 2 0 341.544 1.145 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(C[NH3+])cc2)CC1=O ZINC000131457526 529075641 /nfs/dbraw/zinc/07/56/41/529075641.db2.gz VEOPLLUXGANNOL-NVXWUHKLSA-N 2 0 344.459 1.417 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC23CC[NH2+]CC3)[C@H](C)C1 ZINC000261927814 535522709 /nfs/dbraw/zinc/52/27/09/535522709.db2.gz KIYVPTSXDXEIHH-ZACQAIPSSA-N 2 0 337.508 1.629 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COCc1cccnc1 ZINC000352824629 535591943 /nfs/dbraw/zinc/59/19/43/535591943.db2.gz ABTTVKVDLJWTIR-SFHVURJKSA-N 2 0 348.491 1.473 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000340464629 535777547 /nfs/dbraw/zinc/77/75/47/535777547.db2.gz HAAPCRZNASTDQF-KRWDZBQOSA-N 2 0 343.479 1.383 20 0 EDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)CCO1 ZINC000346694770 535896080 /nfs/dbraw/zinc/89/60/80/535896080.db2.gz WDKHDIVKYTVZAQ-BRSBDYLESA-N 2 0 337.508 1.772 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000262944727 535999953 /nfs/dbraw/zinc/99/99/53/535999953.db2.gz UYTJTDFCKFGCTC-MRXNPFEDSA-N 2 0 340.427 1.876 20 0 EDADRP CN(C(=O)C[C@@H]1CSCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261550828 536003892 /nfs/dbraw/zinc/00/38/92/536003892.db2.gz PSUASASBGXYJNB-SJORKVTESA-N 2 0 333.501 1.814 20 0 EDADRP COC1(C)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000345350972 536574903 /nfs/dbraw/zinc/57/49/03/536574903.db2.gz GIJAXJAFZFILAI-UHFFFAOYSA-N 2 0 347.463 1.024 20 0 EDADRP COc1ccc([C@H]2[C@@H](CNC(=O)NCC[NH+](C)C)CCC[N@@H+]2C)cc1 ZINC000133693969 536946726 /nfs/dbraw/zinc/94/67/26/536946726.db2.gz OIPOAJPDIFXXFR-AEFFLSMTSA-N 2 0 348.491 1.939 20 0 EDADRP Cc1ccc([C@@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000743270557 579474804 /nfs/dbraw/zinc/47/48/04/579474804.db2.gz HIYKDEWSQKQYBN-IBGZPJMESA-N 2 0 340.471 1.965 20 0 EDADRP CC[N@H+](CCCO)CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000743869123 579493001 /nfs/dbraw/zinc/49/30/01/579493001.db2.gz LPXUOESZERGTAB-UHFFFAOYSA-N 2 0 348.491 1.471 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@@H+]3CCC[C@@H]3CO)cc2)CC1 ZINC000725796897 578282347 /nfs/dbraw/zinc/28/23/47/578282347.db2.gz QUDFBTIKZORSPC-GOSISDBHSA-N 2 0 346.475 1.224 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000729347160 578564575 /nfs/dbraw/zinc/56/45/75/578564575.db2.gz NKCSUWAPFIIWCH-SFHVURJKSA-N 2 0 337.508 1.966 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760495799 580032108 /nfs/dbraw/zinc/03/21/08/580032108.db2.gz JQZBDPNUWRPWLW-INIZCTEOSA-N 2 0 326.554 1.770 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC000732782396 578728188 /nfs/dbraw/zinc/72/81/88/578728188.db2.gz YKQDBGXUZCAOMY-QGZVFWFLSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[N@H+](C)C1CC1 ZINC000734275113 578804292 /nfs/dbraw/zinc/80/42/92/578804292.db2.gz OVUPBJZLMJPZSX-RHSMWYFYSA-N 2 0 338.496 1.412 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000735870602 578934619 /nfs/dbraw/zinc/93/46/19/578934619.db2.gz MVTHMWSWKYVLIQ-ROUUACIJSA-N 2 0 336.476 1.846 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2-c2nn[nH]n2)C1 ZINC000736759844 579018314 /nfs/dbraw/zinc/01/83/14/579018314.db2.gz XPBTZDHKOJRALO-CYBMUJFWSA-N 2 0 343.435 1.079 20 0 EDADRP CN1CCN(C(=S)NCCN2CCOCC2)[C@H](c2ccccc2)C1 ZINC000747755234 579657127 /nfs/dbraw/zinc/65/71/27/579657127.db2.gz FQMKTPAALTWQIP-KRWDZBQOSA-N 2 0 348.516 1.182 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)N[C@H](C)COC ZINC000751011371 579791211 /nfs/dbraw/zinc/79/12/11/579791211.db2.gz OPGZPTPRHFBZRK-CABCVRRESA-N 2 0 330.542 1.244 20 0 EDADRP Cc1cc(N(C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nc(N)[nH+]1 ZINC000751111545 579794579 /nfs/dbraw/zinc/79/45/79/579794579.db2.gz ZOJVQTGBTUTOTR-UHFFFAOYSA-N 2 0 346.523 2.000 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000776637869 580425068 /nfs/dbraw/zinc/42/50/68/580425068.db2.gz HDHISAPHJCSIAO-JSNVTFDYSA-N 2 0 343.471 1.993 20 0 EDADRP C[NH+](C)CCNC(=S)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000795002462 580910417 /nfs/dbraw/zinc/91/04/17/580910417.db2.gz ARAOFUXDUVYZED-CALCHBBNSA-N 2 0 332.517 1.486 20 0 EDADRP CC[C@@H]1OCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000795874906 580939972 /nfs/dbraw/zinc/93/99/72/580939972.db2.gz APOMGABSWDKSHZ-MSOLQXFVSA-N 2 0 346.475 1.525 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795893901 580940473 /nfs/dbraw/zinc/94/04/73/580940473.db2.gz KESAXOUPMXMTMC-UHFFFAOYSA-N 2 0 325.497 1.535 20 0 EDADRP C[C@@H](C[NH2+]CC1CCC2(CC1)OCCO2)CN1CC[NH+](C)CC1 ZINC000795926512 580941503 /nfs/dbraw/zinc/94/15/03/580941503.db2.gz GTYFQKOAKALFDL-INIZCTEOSA-N 2 0 325.497 1.393 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@H]1c1ccc(OC)cc1 ZINC000892040220 590766166 /nfs/dbraw/zinc/76/61/66/590766166.db2.gz JXKUSNJJHZAGCS-RDJZCZTQSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000892057538 590774540 /nfs/dbraw/zinc/77/45/40/590774540.db2.gz OWTCQEFYJMUMJB-KRWDZBQOSA-N 2 0 346.475 1.741 20 0 EDADRP O=C(N[C@@H]1CCCCC12CC[NH2+]CC2)N[C@@H]1C[NH2+]CCC1(F)F ZINC000892155201 590826708 /nfs/dbraw/zinc/82/67/08/590826708.db2.gz CFSDFPKIBVFTDA-CHWSQXEVSA-N 2 0 330.423 1.595 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892163974 590836054 /nfs/dbraw/zinc/83/60/54/590836054.db2.gz VVQORCPWSHCMCD-OAHLLOKOSA-N 2 0 338.496 1.461 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892258091 590890626 /nfs/dbraw/zinc/89/06/26/590890626.db2.gz YHADTBHQSSKJNY-YVSFHVDLSA-N 2 0 332.423 1.417 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000892266779 590899857 /nfs/dbraw/zinc/89/98/57/590899857.db2.gz NOHUXLRRLPSAGX-DLBZAZTESA-N 2 0 344.459 1.493 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000892288908 590917325 /nfs/dbraw/zinc/91/73/25/590917325.db2.gz HHDXMDPFYZFFLU-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000909397159 590942016 /nfs/dbraw/zinc/94/20/16/590942016.db2.gz OGPFJXQLFCHPGI-IAGOWNOFSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892390197 591006989 /nfs/dbraw/zinc/00/69/89/591006989.db2.gz RYECDTUVMHUFAI-HNNXBMFYSA-N 2 0 340.512 1.299 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCC[C@H]([NH3+])Cc1ccccc1)C2 ZINC000892412747 591017956 /nfs/dbraw/zinc/01/79/56/591017956.db2.gz DUYVGCALXJUWCG-YTQUADARSA-N 2 0 330.476 1.588 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N2C3CCC2(C[NH3+])CC3)cc1 ZINC000892453121 591033210 /nfs/dbraw/zinc/03/32/10/591033210.db2.gz WTWDZUOXRYVMEK-URSIVYNOSA-N 2 0 344.459 1.717 20 0 EDADRP CCC[C@@H]1CN(C(=O)N2C3CCC2(C[NH3+])CC3)CC[N@@H+]1CCOC ZINC000892463624 591036645 /nfs/dbraw/zinc/03/66/45/591036645.db2.gz LROCWRXDWIIHIU-UPTPFMHGSA-N 2 0 338.496 1.495 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000892484356 591044206 /nfs/dbraw/zinc/04/42/06/591044206.db2.gz HWJSIWROSYQURA-HUUCEWRRSA-N 2 0 340.512 1.251 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000892530692 591060852 /nfs/dbraw/zinc/06/08/52/591060852.db2.gz VDIFFQJZEJHQKC-MJGOQNOKSA-N 2 0 330.476 1.950 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC3(C[NH3+])CCOCC3)C2)cc1 ZINC000892530167 591061414 /nfs/dbraw/zinc/06/14/14/591061414.db2.gz JWLMHTBNLAPNIY-KRWDZBQOSA-N 2 0 346.475 1.376 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892544909 591067522 /nfs/dbraw/zinc/06/75/22/591067522.db2.gz JEPWXHILNZNSJI-JKSUJKDBSA-N 2 0 329.460 1.236 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000892557266 591071423 /nfs/dbraw/zinc/07/14/23/591071423.db2.gz OOMGVDFJBCKTOM-CALCHBBNSA-N 2 0 338.496 1.258 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891495167 591094396 /nfs/dbraw/zinc/09/43/96/591094396.db2.gz WQRAYFLMEYABPN-NSHDSACASA-N 2 0 325.482 1.400 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+]CC2CC[NH+](C)CC2)c1 ZINC000892662629 591116470 /nfs/dbraw/zinc/11/64/70/591116470.db2.gz IZUMKUJOUSAMDZ-UHFFFAOYSA-N 2 0 339.505 1.805 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891540181 591117326 /nfs/dbraw/zinc/11/73/26/591117326.db2.gz MEEGQRCWGFNOBZ-UPJWGTAASA-N 2 0 336.402 1.639 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000891645269 591166614 /nfs/dbraw/zinc/16/66/14/591166614.db2.gz CDMJYVZNTQONIW-YOEHRIQHSA-N 2 0 346.475 1.274 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892775941 591171400 /nfs/dbraw/zinc/17/14/00/591171400.db2.gz DZIYEWFFDURGNM-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892776449 591171935 /nfs/dbraw/zinc/17/19/35/591171935.db2.gz OBFCOTPPIRLKII-CVEARBPZSA-N 2 0 336.480 1.023 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000892792614 591177800 /nfs/dbraw/zinc/17/78/00/591177800.db2.gz PRTWAGIXIKBKQO-KURKYZTESA-N 2 0 328.460 1.437 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892807733 591186916 /nfs/dbraw/zinc/18/69/16/591186916.db2.gz FSBVUAPAQGHBEB-SFHVURJKSA-N 2 0 330.476 1.684 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892802392 591187049 /nfs/dbraw/zinc/18/70/49/591187049.db2.gz FKYMBCRXHCXDRE-MAUKXSAKSA-N 2 0 330.476 1.684 20 0 EDADRP CN(C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000892809073 591187789 /nfs/dbraw/zinc/18/77/89/591187789.db2.gz RWILNYORSASMMG-FUHWJXTLSA-N 2 0 328.460 1.579 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H]([NH3+])C[C@H]2C)CC1 ZINC000891703848 591192880 /nfs/dbraw/zinc/19/28/80/591192880.db2.gz IYJWKWMRICTZOU-FMKPAKJESA-N 2 0 331.464 1.738 20 0 EDADRP CCN(C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000891746337 591207609 /nfs/dbraw/zinc/20/76/09/591207609.db2.gz FYLRSORPJDZDFR-QGZVFWFLSA-N 2 0 331.464 1.691 20 0 EDADRP CO[C@@](C)(C[NH2+][C@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000895685988 591248671 /nfs/dbraw/zinc/24/86/71/591248671.db2.gz PEGXQUWVBNDDGF-ROUUACIJSA-N 2 0 325.497 1.188 20 0 EDADRP CC[S@](=O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894261304 591253676 /nfs/dbraw/zinc/25/36/76/591253676.db2.gz QVYGQYMGXRMGEH-QHCPKHFHSA-N 2 0 348.415 1.928 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cnn(CC3CCC3)c2)C[C@H]1C[NH+](C)C ZINC000895698943 591257909 /nfs/dbraw/zinc/25/79/09/591257909.db2.gz JPKLRJFXLYVUFI-RTBURBONSA-N 2 0 333.524 1.854 20 0 EDADRP O=C(N[C@@H]1CCCN(CCF)C1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000898495863 591379032 /nfs/dbraw/zinc/37/90/32/591379032.db2.gz VCDIOGTZGOGTTP-QZTJIDSGSA-N 2 0 349.450 1.438 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)C3C[NH+]([C@H]4CCOC4)C3)CC2)CC1 ZINC000896399495 591451603 /nfs/dbraw/zinc/45/16/03/591451603.db2.gz CIZVYPYNFPVWBK-VJFUWPCTSA-N 2 0 335.492 1.430 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000897475922 591479086 /nfs/dbraw/zinc/47/90/86/591479086.db2.gz FXNFBYBDIJRJBS-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)CC[NH+](C)CC1 ZINC000894953275 591498532 /nfs/dbraw/zinc/49/85/32/591498532.db2.gz GOZCRESIRXHVSU-UONOGXRCSA-N 2 0 326.510 1.159 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CC(C)(C)CO1 ZINC000896624963 591552681 /nfs/dbraw/zinc/55/26/81/591552681.db2.gz ZGIOPSYESSBIFR-INIZCTEOSA-N 2 0 327.513 1.924 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)[nH]n1 ZINC000897577490 591564821 /nfs/dbraw/zinc/56/48/21/591564821.db2.gz XLVXWXOMZYIHPF-RHSMWYFYSA-N 2 0 331.464 1.923 20 0 EDADRP CC[N@H+](CCC(N)=O)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000896707414 591581724 /nfs/dbraw/zinc/58/17/24/591581724.db2.gz RPQAHMDWOCWNFG-UHFFFAOYSA-N 2 0 343.374 1.767 20 0 EDADRP Cc1nc2ccccn2c1CNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000898961633 591618002 /nfs/dbraw/zinc/61/80/02/591618002.db2.gz IEJKUCKOKFBBHZ-GOEBONIOSA-N 2 0 327.432 1.878 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000898990120 591627212 /nfs/dbraw/zinc/62/72/12/591627212.db2.gz YJEQUVFRWSAPKK-BBWFWOEESA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000896877171 591642662 /nfs/dbraw/zinc/64/26/62/591642662.db2.gz HIWORXZZYZQGQJ-GOSISDBHSA-N 2 0 337.508 1.581 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)[NH+](C)C)cc1 ZINC000900013093 591862563 /nfs/dbraw/zinc/86/25/63/591862563.db2.gz GWPUYVNFRDFDNE-ZIFCJYIRSA-N 2 0 333.476 1.423 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000900159105 591920875 /nfs/dbraw/zinc/92/08/75/591920875.db2.gz AOMAEUHCOBEXDF-IEBWSBKVSA-N 2 0 331.460 1.006 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900245021 591953164 /nfs/dbraw/zinc/95/31/64/591953164.db2.gz GBFANGVTIHFDPS-UYAOXDASSA-N 2 0 345.487 1.531 20 0 EDADRP CC(C)(C[NH2+]C[C@@H](O)C1(O)CCOCC1)N1CCc2ccccc2C1 ZINC000899866144 591968663 /nfs/dbraw/zinc/96/86/63/591968663.db2.gz MIGXJPRBZKDUND-GOSISDBHSA-N 2 0 348.487 1.315 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1([NH3+])CC1 ZINC000902362989 591986760 /nfs/dbraw/zinc/98/67/60/591986760.db2.gz JQOKCCKNHQVPML-SNVBAGLBSA-N 2 0 326.238 1.648 20 0 EDADRP Cn1cc([C@]2(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)CCCO2)cn1 ZINC000902462064 592000558 /nfs/dbraw/zinc/00/05/58/592000558.db2.gz SLZMNUHPZHCJIO-XMTFNYHQSA-N 2 0 334.464 1.173 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(NS(=O)(=O)C2CC2)c1 ZINC000902514479 592008713 /nfs/dbraw/zinc/00/87/13/592008713.db2.gz NYFFPRKFPXHJDB-HNNXBMFYSA-N 2 0 341.477 1.434 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C12CC[NH+](CC1)C2 ZINC000900414756 592012626 /nfs/dbraw/zinc/01/26/26/592012626.db2.gz LDQZJDCRHFBLES-UHFFFAOYSA-N 2 0 337.414 1.951 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@@H+](C)C2)[NH+]2CCCC2)o1 ZINC000900491746 592032731 /nfs/dbraw/zinc/03/27/31/592032731.db2.gz LQMARGHPDFCPLB-VQIMIIECSA-N 2 0 349.475 1.688 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900523234 592036307 /nfs/dbraw/zinc/03/63/07/592036307.db2.gz OOUJRAQIAGGWBL-QGZVFWFLSA-N 2 0 326.529 1.639 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)c1cn(C)nn1 ZINC000902741440 592055148 /nfs/dbraw/zinc/05/51/48/592055148.db2.gz ROTQUYYUUUVOSW-KRWDZBQOSA-N 2 0 342.491 1.674 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NC[C@H]2CCCC[N@@H+]2CC)C1 ZINC000900660226 592084098 /nfs/dbraw/zinc/08/40/98/592084098.db2.gz RXDBLNGHORAYHY-HZPDHXFCSA-N 2 0 339.480 1.252 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)CC1 ZINC000900745078 592116031 /nfs/dbraw/zinc/11/60/31/592116031.db2.gz IWDKEKVMZZWZAG-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085509 592117622 /nfs/dbraw/zinc/11/76/22/592117622.db2.gz DHTCEPURGGHMIZ-DQXYTYHJSA-N 2 0 348.535 1.677 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCCC[C@@H]1CC1N=NC(=O)N1C ZINC000903130595 592125076 /nfs/dbraw/zinc/12/50/76/592125076.db2.gz LATQNWNPMWUVOD-XNISGKROSA-N 2 0 333.480 1.694 20 0 EDADRP CO[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)C1CCCCC1 ZINC000903526239 592198140 /nfs/dbraw/zinc/19/81/40/592198140.db2.gz CYMQKDHXOPYAGS-AOIWGVFYSA-N 2 0 337.508 1.818 20 0 EDADRP O=c1[nH]c2cccc(N3CC[NH+](CC[C@H]4CCC[NH2+]C4)CC3)c2[nH]1 ZINC000903577708 592228608 /nfs/dbraw/zinc/22/86/08/592228608.db2.gz RWRIBSNENCVILF-CQSZACIVSA-N 2 0 329.448 1.780 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000906665688 592248035 /nfs/dbraw/zinc/24/80/35/592248035.db2.gz CITSMLZCYTUTJO-OAHLLOKOSA-N 2 0 330.432 1.217 20 0 EDADRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)CC[C@@H]1C(F)(F)F ZINC000904388029 592248264 /nfs/dbraw/zinc/24/82/64/592248264.db2.gz AJYCDYHUBRQJIN-QWHCGFSZSA-N 2 0 332.370 1.401 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000907990710 592251601 /nfs/dbraw/zinc/25/16/01/592251601.db2.gz OFPKYKJVRCWBHS-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2CCn3ncc(I)c3C2)C1 ZINC000904433063 592256122 /nfs/dbraw/zinc/25/61/22/592256122.db2.gz JVJWRHMWSJONEV-DTORHVGOSA-N 2 0 332.189 1.041 20 0 EDADRP O=C(CC1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)N1CCCC1 ZINC000903723631 592284000 /nfs/dbraw/zinc/28/40/00/592284000.db2.gz XDLMJPSZRRSWKN-PKOBYXMFSA-N 2 0 335.492 1.480 20 0 EDADRP c1ccc(OCCN2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903732792 592288314 /nfs/dbraw/zinc/28/83/14/592288314.db2.gz HOKYXYNFCXQTFO-UXHICEINSA-N 2 0 345.487 1.452 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903739018 592300529 /nfs/dbraw/zinc/30/05/29/592300529.db2.gz AVVDHCVQVMLRHW-WMZOPIPTSA-N 3 0 339.524 1.170 20 0 EDADRP CCO[C@@H]1C[N@H+](Cc2ccc(C(=O)OC)c3cccnc23)C[C@H]1C[NH3+] ZINC000903767180 592309727 /nfs/dbraw/zinc/30/97/27/592309727.db2.gz DZXUFSBEHMDYDV-RHSMWYFYSA-N 2 0 343.427 1.817 20 0 EDADRP O=C1[C@H]2C[N@H+](C[C@@H]3CCCC[NH2+]C3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000903767232 592309998 /nfs/dbraw/zinc/30/99/98/592309998.db2.gz FYCXHDBUNLOUHE-KURKYZTESA-N 2 0 341.455 1.493 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@@H]1C(F)(F)F ZINC000903770826 592310989 /nfs/dbraw/zinc/31/09/89/592310989.db2.gz MROYDDQZJWWTRT-IHRRRGAJSA-N 2 0 335.414 1.747 20 0 EDADRP COC(=O)CCN1CCC[C@H]([NH+]2CCC(C(C)(C)C[NH3+])CC2)C1=O ZINC000903790786 592316405 /nfs/dbraw/zinc/31/64/05/592316405.db2.gz AOQJDSMIAFNOMC-HNNXBMFYSA-N 2 0 339.480 1.237 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000906764183 592320506 /nfs/dbraw/zinc/32/05/06/592320506.db2.gz ANQGQUDGUSCRQR-LJQANCHMSA-N 2 0 344.459 1.350 20 0 EDADRP [NH3+]C[C@@H]1Cc2cc(F)ccc2N(C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903786903 592321785 /nfs/dbraw/zinc/32/17/85/592321785.db2.gz QEYSFSVPJBHSTE-WMLDXEAASA-N 2 0 333.451 1.922 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CCC[C@@]23CC[NH2+]C3)cc1 ZINC000906768671 592323655 /nfs/dbraw/zinc/32/36/55/592323655.db2.gz XVUFPBWCIPCDBB-IBGZPJMESA-N 2 0 344.459 1.084 20 0 EDADRP Cc1cnn([C@@H]2CCC[N@@H+](C[C@H](C[NH3+])Cc3cnn(C)c3C)C2)c1 ZINC000903893279 592365825 /nfs/dbraw/zinc/36/58/25/592365825.db2.gz UIXILZNTAGNSKJ-FUHWJXTLSA-N 2 0 330.480 1.688 20 0 EDADRP Cc1noc(C2(C)CC[NH+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)n1 ZINC000903902611 592371282 /nfs/dbraw/zinc/37/12/82/592371282.db2.gz KSXRPUSYXVNHHP-OAHLLOKOSA-N 2 0 346.479 1.591 20 0 EDADRP O=C(N[C@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937583 592387995 /nfs/dbraw/zinc/38/79/95/592387995.db2.gz NQVUGPNUVCEQFJ-SELLCIIESA-N 2 0 349.519 1.649 20 0 EDADRP C[C@@H]1CN(Cc2cccc(C[NH2+]C[C@@H](O)C3(O)CCCC3)c2)CCO1 ZINC000905062359 592397689 /nfs/dbraw/zinc/39/76/89/592397689.db2.gz XJMOPKCFXGSEEF-VQIMIIECSA-N 2 0 348.487 1.663 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn3cccc(F)c3n1)C2 ZINC000903978211 592399503 /nfs/dbraw/zinc/39/95/03/592399503.db2.gz ADFMNVWHXQMKSA-JKDFXYPNSA-N 2 0 332.379 1.186 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](C[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000904308039 592474015 /nfs/dbraw/zinc/47/40/15/592474015.db2.gz JZVLXPKOSXHWDC-SFHVURJKSA-N 2 0 325.497 1.631 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@H](O)CC2(O)CCCCC2)CC1(C)C ZINC000905249453 592476785 /nfs/dbraw/zinc/47/67/85/592476785.db2.gz YVIOODFVXOJXRZ-MRXNPFEDSA-N 2 0 327.513 1.048 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000905339285 592510807 /nfs/dbraw/zinc/51/08/07/592510807.db2.gz YQSVQNDDDMAYMP-INIZCTEOSA-N 2 0 329.510 1.124 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000908592040 592556370 /nfs/dbraw/zinc/55/63/70/592556370.db2.gz FURQMMXHZGEKLX-JYJNAYRXSA-N 2 0 325.497 1.599 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC000905603368 592575440 /nfs/dbraw/zinc/57/54/40/592575440.db2.gz ZHDUZHKCQQTMDH-UPTPFMHGSA-N 2 0 326.481 1.540 20 0 EDADRP c1cnc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c(OC2CCC2)n1 ZINC000905700540 592614870 /nfs/dbraw/zinc/61/48/70/592614870.db2.gz HXRQMNGMEBICNO-IYBDPMFKSA-N 2 0 343.475 1.813 20 0 EDADRP COC(=O)C1CC2(C1)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCS2 ZINC000905693222 592623772 /nfs/dbraw/zinc/62/37/72/592623772.db2.gz BFHWDMLBDNACMD-KRIMKBQASA-N 2 0 342.505 1.250 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000905883948 592667419 /nfs/dbraw/zinc/66/74/19/592667419.db2.gz LRGGKUDFFXHCMQ-IBGZPJMESA-N 2 0 344.503 1.433 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CCC1 ZINC000908936193 592672338 /nfs/dbraw/zinc/67/23/38/592672338.db2.gz KPMKRZCNXWZIDP-HKUYNNGSSA-N 2 0 345.487 1.612 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)N3CCC[C@@H]([NH+](C)C)C3)co2)C1 ZINC000906530245 592845130 /nfs/dbraw/zinc/84/51/30/592845130.db2.gz XPCXLEZUOVSPAV-KGLIPLIRSA-N 2 0 336.436 1.062 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CN2CCOCC2)C1 ZINC000906641313 592864845 /nfs/dbraw/zinc/86/48/45/592864845.db2.gz FQYZUGGNIAZAJY-ROUUACIJSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCC[NH+]2CCCCC2)cc1 ZINC000906644039 592865492 /nfs/dbraw/zinc/86/54/92/592865492.db2.gz GSHVKCHZUAITDO-UHFFFAOYSA-N 2 0 332.448 1.421 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCc2cc(C)nc(C)c2)C1 ZINC000911169513 592947669 /nfs/dbraw/zinc/94/76/69/592947669.db2.gz ZTHMZEOHIBZUAK-MRXNPFEDSA-N 2 0 333.432 1.590 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)C1 ZINC000911634334 592971179 /nfs/dbraw/zinc/97/11/79/592971179.db2.gz MVZJGNYEFDMSKX-AWEZNQCLSA-N 2 0 336.505 1.757 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)C1 ZINC000911734575 592992353 /nfs/dbraw/zinc/99/23/53/592992353.db2.gz CLMGGHBMGLRFIP-NEPJUHHUSA-N 2 0 329.366 1.574 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2ccc3c(c2)OCC[NH2+]C3)cc1 ZINC000911737843 592993280 /nfs/dbraw/zinc/99/32/80/592993280.db2.gz ZTBGAJDMZSDVEZ-UHFFFAOYSA-N 2 0 325.412 1.600 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1COCC12OCCO2 ZINC000839172959 593270676 /nfs/dbraw/zinc/27/06/76/593270676.db2.gz LHGQRIDUCWCQKE-QGZVFWFLSA-N 2 0 338.492 1.866 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000840030741 593395058 /nfs/dbraw/zinc/39/50/58/593395058.db2.gz MNCWDXWMCOUHFD-GLJHEFQWSA-N 2 0 345.487 1.781 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000811743426 593477782 /nfs/dbraw/zinc/47/77/82/593477782.db2.gz RGDYACAQOIZIAQ-DLBZAZTESA-N 2 0 335.492 1.778 20 0 EDADRP CON(C)C(=O)C1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000812778074 593509053 /nfs/dbraw/zinc/50/90/53/593509053.db2.gz AZZVYSBQNDIWJU-UHFFFAOYSA-N 2 0 349.475 1.859 20 0 EDADRP CCOC(C[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1)OCC ZINC000817285217 593589099 /nfs/dbraw/zinc/58/90/99/593589099.db2.gz HNGFTTOPAQLSMY-UHFFFAOYSA-N 2 0 327.513 1.878 20 0 EDADRP Cn1ncc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000815122804 593616633 /nfs/dbraw/zinc/61/66/33/593616633.db2.gz SCSXAASWHZXYHW-UHFFFAOYSA-N 3 0 348.882 1.770 20 0 EDADRP COCCN1CC[C@H]([NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)C1 ZINC000819038928 593735122 /nfs/dbraw/zinc/73/51/22/593735122.db2.gz MQVVAJBTQKICLY-INIZCTEOSA-N 2 0 334.464 1.392 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000819059426 593736571 /nfs/dbraw/zinc/73/65/71/593736571.db2.gz YRSZEVHWORPHGU-CXAGYDPISA-N 2 0 343.874 1.986 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1F)CN1CC[NH+](C)CC1 ZINC000819059716 593736577 /nfs/dbraw/zinc/73/65/77/593736577.db2.gz ZVCHLPLDELRAJF-CXAGYDPISA-N 2 0 327.419 1.471 20 0 EDADRP O=S1(=O)CCC(O)(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000819142002 593741093 /nfs/dbraw/zinc/74/10/93/593741093.db2.gz LNRAMIXIKKTILW-UHFFFAOYSA-N 2 0 344.521 1.313 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000819155236 593741635 /nfs/dbraw/zinc/74/16/35/593741635.db2.gz TZNHHZNUYIIPEO-WMZOPIPTSA-N 2 0 345.487 1.631 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821583422 593869263 /nfs/dbraw/zinc/86/92/63/593869263.db2.gz UXJYDYBZSIXYSQ-UHFFFAOYSA-N 2 0 335.481 1.044 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C2(C)C)cn1 ZINC000824094569 593928207 /nfs/dbraw/zinc/92/82/07/593928207.db2.gz IYSLVPXNNMFJKY-MWDXBVQZSA-N 2 0 347.507 1.300 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)c1ccc(C[NH+]2CCCCC2)o1 ZINC000820990256 593937536 /nfs/dbraw/zinc/93/75/36/593937536.db2.gz MBSKSVHGGJBRRV-INIZCTEOSA-N 2 0 349.475 1.842 20 0 EDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1cccc(-c2nn[nH]n2)c1 ZINC000824584787 594042781 /nfs/dbraw/zinc/04/27/81/594042781.db2.gz HFWHWWAUFPMDCD-YOEHRIQHSA-N 2 0 344.463 1.754 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000825327132 594167377 /nfs/dbraw/zinc/16/73/77/594167377.db2.gz GAHNAILCECXPLB-UHFFFAOYSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)COC1CC[NH+](C)CC1 ZINC000825585404 594203519 /nfs/dbraw/zinc/20/35/19/594203519.db2.gz BABSNTCJAZMEPZ-HOTGVXAUSA-N 2 0 325.497 1.819 20 0 EDADRP Cn1nc(C2CC2)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000827891681 594298844 /nfs/dbraw/zinc/29/88/44/594298844.db2.gz BNDQDBXZMIWCKW-HUUCEWRRSA-N 2 0 333.480 1.109 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc3cc(O)ccc23)C[C@H]1C[NH+](C)C ZINC000827892979 594299309 /nfs/dbraw/zinc/29/93/09/594299309.db2.gz YXLYQODCAPZWOR-ZIAGYGMSSA-N 2 0 345.443 1.950 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3cccc(C[NH3+])c3)CC2)c1 ZINC000828742150 594492002 /nfs/dbraw/zinc/49/20/02/594492002.db2.gz ACHCEQVFJWQESK-UHFFFAOYSA-N 2 0 326.400 1.511 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000826629512 594543236 /nfs/dbraw/zinc/54/32/36/594543236.db2.gz UZBXQOCUCZKKSU-VVLHAWIVSA-N 2 0 340.512 1.610 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)CC[NH2+]C(C)(C)C ZINC000826678622 594553114 /nfs/dbraw/zinc/55/31/14/594553114.db2.gz CURSNWMMQNXPBX-OAHLLOKOSA-N 2 0 325.497 1.866 20 0 EDADRP CCO[C@@H](CNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C[NH+](C)C ZINC000831724988 594696426 /nfs/dbraw/zinc/69/64/26/594696426.db2.gz UBZAWRNCISGKMA-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000840754690 594815138 /nfs/dbraw/zinc/81/51/38/594815138.db2.gz OCATWUBQSSDCGR-QGZVFWFLSA-N 2 0 326.554 1.866 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000841287586 594881798 /nfs/dbraw/zinc/88/17/98/594881798.db2.gz FDDNZZOFBNZRJS-GOEBONIOSA-N 2 0 334.420 1.009 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCCC2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000841755332 594947815 /nfs/dbraw/zinc/94/78/15/594947815.db2.gz ZDLSAHRCEYHYMK-CALCHBBNSA-N 2 0 334.508 1.892 20 0 EDADRP C[C@H]1C[C@@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CC[NH2+]1 ZINC000841846501 594963737 /nfs/dbraw/zinc/96/37/37/594963737.db2.gz JWNUJXKMTUYONW-ZQIUZPCESA-N 2 0 345.443 1.922 20 0 EDADRP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000841848329 594964897 /nfs/dbraw/zinc/96/48/97/594964897.db2.gz DEEXVBUKGVNEPM-QGZVFWFLSA-N 2 0 339.443 1.859 20 0 EDADRP C[C@]1(CNC(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000841896843 594976362 /nfs/dbraw/zinc/97/63/62/594976362.db2.gz RUYJBFRHFHVHGV-PKOBYXMFSA-N 2 0 330.476 1.950 20 0 EDADRP COc1ccc2c(c1)[nH+]ccc2N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000845636752 595036216 /nfs/dbraw/zinc/03/62/16/595036216.db2.gz YUIFDDQYVYVAGI-UHFFFAOYSA-N 2 0 328.416 1.454 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000843262792 595057408 /nfs/dbraw/zinc/05/74/08/595057408.db2.gz SQWNZBKNOKEPIX-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000843495786 595130663 /nfs/dbraw/zinc/13/06/63/595130663.db2.gz VPOUNJKUECTJTD-WMZOPIPTSA-N 2 0 335.423 1.650 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000844172435 595290954 /nfs/dbraw/zinc/29/09/54/595290954.db2.gz XWEUUPMIIAIQGP-SOLBZPMBSA-N 2 0 337.508 1.772 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)nc2)CC12CCOCC2 ZINC000843125441 595293220 /nfs/dbraw/zinc/29/32/20/595293220.db2.gz WOCXPPGDCLKFIR-MRXNPFEDSA-N 2 0 327.432 1.455 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CO[C@@H]2CCC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000844189917 595297400 /nfs/dbraw/zinc/29/74/00/595297400.db2.gz VFNNETVBXUDHQJ-KBAYOESNSA-N 2 0 331.460 1.534 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844189326 595297474 /nfs/dbraw/zinc/29/74/74/595297474.db2.gz LLFVOXKIQHKIEX-QGZVFWFLSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)cc2)CC1 ZINC000844190920 595298108 /nfs/dbraw/zinc/29/81/08/595298108.db2.gz FTGXAFZFNYRESS-HNNXBMFYSA-N 2 0 338.402 1.622 20 0 EDADRP C[N@H+](CCC[NH+]1CCCC1)C[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC000846892363 595333330 /nfs/dbraw/zinc/33/33/30/595333330.db2.gz UUIOHNLJJJDERS-SFHVURJKSA-N 2 0 341.496 1.776 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)o1 ZINC000848895884 595464258 /nfs/dbraw/zinc/46/42/58/595464258.db2.gz QQMQJHXBIMXYKS-SREVYHEPSA-N 2 0 349.475 1.829 20 0 EDADRP CC(C)CCC[C@@H](C)NC(=[NH2+])NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000849072916 595478195 /nfs/dbraw/zinc/47/81/95/595478195.db2.gz RGXMDMVUBXPZJG-CVEARBPZSA-N 2 0 339.528 1.903 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCCc1ccc2c(c1)OCCO2 ZINC000849088631 595480032 /nfs/dbraw/zinc/48/00/32/595480032.db2.gz QNACHLBKXQFBDW-MRXNPFEDSA-N 2 0 346.475 1.989 20 0 EDADRP CC(C)NC(=[NH2+])NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849101967 595482131 /nfs/dbraw/zinc/48/21/31/595482131.db2.gz FXPAYGPDZHZZHM-MRXNPFEDSA-N 2 0 331.464 1.406 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849486334 595547572 /nfs/dbraw/zinc/54/75/72/595547572.db2.gz GMVNWYXRAILDIK-ROUUACIJSA-N 2 0 347.507 1.444 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cn1 ZINC000849500244 595551602 /nfs/dbraw/zinc/55/16/02/595551602.db2.gz OXIVCWNXCJHPRN-FJIDUMEYSA-N 2 0 345.491 1.198 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000849555898 595566258 /nfs/dbraw/zinc/56/62/58/595566258.db2.gz ZOFHZNSUEBNGEF-XDNAFOTISA-N 2 0 345.491 1.151 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849569338 595573812 /nfs/dbraw/zinc/57/38/12/595573812.db2.gz UEQAIUWMSVQAIL-DLBZAZTESA-N 2 0 335.496 1.254 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849585340 595582776 /nfs/dbraw/zinc/58/27/76/595582776.db2.gz LBWABUTWWLYMRY-ZWKOTPCHSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@H](NC(=O)C1=NO[C@@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000852888223 595600460 /nfs/dbraw/zinc/60/04/60/595600460.db2.gz VNVQCWDYFHHLQE-NUEKZKHPSA-N 2 0 330.432 1.117 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)C1 ZINC000852908447 595610196 /nfs/dbraw/zinc/61/01/96/595610196.db2.gz XQNYRKZZWZOJSB-OALUTQOASA-N 2 0 345.487 1.530 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000858192588 595726209 /nfs/dbraw/zinc/72/62/09/595726209.db2.gz LHIXYWDNYBLLSN-IXDOHACOSA-N 2 0 336.480 1.166 20 0 EDADRP Cc1cncn1CC(=O)OCCN1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000860716975 595772911 /nfs/dbraw/zinc/77/29/11/595772911.db2.gz XXVGTUDXRSSZFF-CQSZACIVSA-N 2 0 337.420 1.541 20 0 EDADRP CO[C@H]1CC[C@@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000851779931 595920114 /nfs/dbraw/zinc/92/01/14/595920114.db2.gz SOXFLFGJMZKAEQ-SJORKVTESA-N 2 0 339.524 1.970 20 0 EDADRP NC(=O)[C@](O)(C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000851861053 595952141 /nfs/dbraw/zinc/95/21/41/595952141.db2.gz NOBPDHQXKQHMEP-QSFXBCCZSA-N 2 0 343.471 1.308 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CCO1 ZINC000856428751 595987906 /nfs/dbraw/zinc/98/79/06/595987906.db2.gz DRVVJYUOLDTTKA-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@H]4C[C@H]([NH3+])C4)n3)cn2)CC1 ZINC000854147172 595990313 /nfs/dbraw/zinc/99/03/13/595990313.db2.gz XVLBMKUQVYYSJE-HDJSIYSDSA-N 2 0 328.420 1.478 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+]([C@H]3CCCN(C)C3=O)C2)ccn1 ZINC000856585360 596023324 /nfs/dbraw/zinc/02/33/24/596023324.db2.gz COUDMKBSJILZKT-ROUUACIJSA-N 2 0 346.475 1.607 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@H]3COCCO3)C2)ccn1 ZINC000856585129 596023809 /nfs/dbraw/zinc/02/38/09/596023809.db2.gz ZPZWTAWTTVUSOP-QZTJIDSGSA-N 2 0 335.448 1.402 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000861757387 596091634 /nfs/dbraw/zinc/09/16/34/596091634.db2.gz RSYJMYXVEXCMQO-DOTOQJQBSA-N 2 0 346.475 1.135 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852750978 596237972 /nfs/dbraw/zinc/23/79/72/596237972.db2.gz LPCAQPJQHRKMJA-SOUVJXGZSA-N 2 0 325.453 1.354 20 0 EDADRP CCc1cccc(OCC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866706329 596301949 /nfs/dbraw/zinc/30/19/49/596301949.db2.gz BBMPZPRWSHWHGE-NXHRZFHOSA-N 2 0 345.443 1.495 20 0 EDADRP COc1ccc(CC[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866707982 596303165 /nfs/dbraw/zinc/30/31/65/596303165.db2.gz LMIHIKPVJVVZMI-UAGQMJEPSA-N 2 0 331.416 1.105 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000870902409 596396622 /nfs/dbraw/zinc/39/66/22/596396622.db2.gz RRPUTFUYLUHDFE-FRQCXROJSA-N 2 0 335.492 1.513 20 0 EDADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1cccc(Br)c1 ZINC000870935111 596411369 /nfs/dbraw/zinc/41/13/69/596411369.db2.gz JVXFAMPKHVFURY-GXFFZTMASA-N 2 0 326.238 1.565 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000870955700 596417105 /nfs/dbraw/zinc/41/71/05/596417105.db2.gz XHWFGXWBUMDAQX-HDICACEKSA-N 2 0 330.476 1.927 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@@H]3CCCCCC[C@H]3[NH3+])CC2)CC1 ZINC000870982211 596429170 /nfs/dbraw/zinc/42/91/70/596429170.db2.gz YLBSGQKHCOLJBO-QZTJIDSGSA-N 2 0 336.524 1.523 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Cn1ccc(C)n1 ZINC000865090029 596470691 /nfs/dbraw/zinc/47/06/91/596470691.db2.gz VSUGOBKOSQRAML-FUHWJXTLSA-N 2 0 349.523 1.702 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@H]1CN(Cc2ccccc2C)CCO1 ZINC000871285174 596524318 /nfs/dbraw/zinc/52/43/18/596524318.db2.gz POGMKYHJEIZRGO-SFHVURJKSA-N 2 0 333.476 1.654 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000863492237 596597622 /nfs/dbraw/zinc/59/76/22/596597622.db2.gz PDULXFROJDAGPE-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP [NH3+]CCCOCC[NH2+][C@H]1CCCN(C(=O)Oc2ccccc2)CC1 ZINC000863544897 596613946 /nfs/dbraw/zinc/61/39/46/596613946.db2.gz DYZGZTHWBVZWHM-INIZCTEOSA-N 2 0 335.448 1.995 20 0 EDADRP COc1cccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)c1 ZINC000863549170 596614472 /nfs/dbraw/zinc/61/44/72/596614472.db2.gz BHXVMHYUXXXCAB-SJORKVTESA-N 2 0 331.416 1.452 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1(C)C ZINC000865746867 596668594 /nfs/dbraw/zinc/66/85/94/596668594.db2.gz QJHJWOQZTZSKFB-KKUMJFAQSA-N 2 0 341.496 1.819 20 0 EDADRP CC[C@H]1COCCN1CCNC(=S)NC[C@H]1CCC[N@@H+]1CC ZINC000871688724 596672142 /nfs/dbraw/zinc/67/21/42/596672142.db2.gz QQQJMSPRYLQIFC-LSDHHAIUSA-N 2 0 328.526 1.046 20 0 EDADRP CCn1nc(C)c(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000870018016 596710092 /nfs/dbraw/zinc/71/00/92/596710092.db2.gz LAKLKRJJLUDSPA-IAGOWNOFSA-N 2 0 349.523 1.260 20 0 EDADRP COc1ccccc1C(=O)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019490 596710847 /nfs/dbraw/zinc/71/08/47/596710847.db2.gz GRPRVJCMLYRSEX-HUUCEWRRSA-N 2 0 347.459 1.076 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022522 596712566 /nfs/dbraw/zinc/71/25/66/596712566.db2.gz UCXHFNRTGBFPSN-BRSBDYLESA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CSC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000870023979 596714086 /nfs/dbraw/zinc/71/40/86/596714086.db2.gz RJGQYFNQJHKMLK-GHMZBOCLSA-N 2 0 327.416 1.437 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868183970 596714827 /nfs/dbraw/zinc/71/48/27/596714827.db2.gz FQIDQVPSKCAXRT-ZWKOTPCHSA-N 2 0 345.491 1.649 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000871821885 596715143 /nfs/dbraw/zinc/71/51/43/596715143.db2.gz ASBCDFQKKDJAOY-NVXWUHKLSA-N 2 0 345.553 1.888 20 0 EDADRP C[C@H](CNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C[NH+]1CCN(C)CC1 ZINC000868185697 596715510 /nfs/dbraw/zinc/71/55/10/596715510.db2.gz YRYWQZOQQKHNCP-FHLIZLRMSA-N 2 0 345.491 1.506 20 0 EDADRP CN(C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1CCC([NH3+])CC1 ZINC000868191574 596717609 /nfs/dbraw/zinc/71/76/09/596717609.db2.gz USJVPALPZZNBOC-UHFFFAOYSA-N 2 0 334.468 1.883 20 0 EDADRP CN1CCn2nc(NC(=O)N[C@H](CCC[NH3+])c3ccccc3)cc2C1 ZINC000868203707 596722297 /nfs/dbraw/zinc/72/22/97/596722297.db2.gz GOAQXXDCJLXBMV-MRXNPFEDSA-N 2 0 342.447 1.930 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868239292 596740846 /nfs/dbraw/zinc/74/08/46/596740846.db2.gz KIZUZXNCLRYXJO-IXDOHACOSA-N 2 0 344.459 1.382 20 0 EDADRP CCNC(=O)c1ccc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000866012386 596757570 /nfs/dbraw/zinc/75/75/70/596757570.db2.gz AZWKKHBCYVCHCF-HZPDHXFCSA-N 2 0 333.480 1.007 20 0 EDADRP Cn1ccnc1CNC(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000868282392 596763020 /nfs/dbraw/zinc/76/30/20/596763020.db2.gz WCUYCJHMZWEOSV-UHFFFAOYSA-N 2 0 341.459 1.883 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](C[C@@H]2CC3(CCC3)CO2)C1)[C@@H]1CCC[NH2+]1 ZINC000872144131 596809169 /nfs/dbraw/zinc/80/91/69/596809169.db2.gz VJTHUAVBARTEMG-ULQDDVLXSA-N 2 0 335.492 1.526 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3CC4(CCC4)CO3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000872145830 596810509 /nfs/dbraw/zinc/81/05/09/596810509.db2.gz WQOSHELOHKJCEZ-BBWFWOEESA-N 2 0 348.491 1.166 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(OC(C)(C)C)CC2)CC1 ZINC000872218027 596840625 /nfs/dbraw/zinc/84/06/25/596840625.db2.gz DUNREHONNPHGPZ-CGZBRXJRSA-N 2 0 327.513 1.311 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CC2=Cc3ccccc3OC2)C1 ZINC000872257096 596857266 /nfs/dbraw/zinc/85/72/66/596857266.db2.gz LBCKSJKZWXZUCZ-SOLBZPMBSA-N 2 0 341.411 1.329 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)N2CC[NH+](C)C(C)(C)CC2)CC1(C)C ZINC000875559289 596897297 /nfs/dbraw/zinc/89/72/97/596897297.db2.gz ROWLGNYTKSACJR-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP COCC[C@H](C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875666190 596939708 /nfs/dbraw/zinc/93/97/08/596939708.db2.gz YAMYZHVMENCHGP-ARFHVFGLSA-N 2 0 328.501 1.040 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2C[C@H]2C2CCC2)C[C@H]1C[NH+](C)C ZINC000875679614 596945236 /nfs/dbraw/zinc/94/52/36/596945236.db2.gz BETZVQAFEPFJTH-MLHJIOFPSA-N 2 0 336.524 1.803 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2COC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC000875736285 596966569 /nfs/dbraw/zinc/96/65/69/596966569.db2.gz RBABRORQXRFDHZ-OAGGEKHMSA-N 2 0 338.496 1.079 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000875746624 596971223 /nfs/dbraw/zinc/97/12/23/596971223.db2.gz JZFJUIBZJQZRST-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1CN(CN2CCC3(CCC3)C2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000872595277 596980960 /nfs/dbraw/zinc/98/09/60/596980960.db2.gz DIXYENUTVHNULP-DLBZAZTESA-N 2 0 334.508 1.304 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000876031466 597068921 /nfs/dbraw/zinc/06/89/21/597068921.db2.gz XSZLNHQVKHBIRS-UHFFFAOYSA-N 2 0 342.528 1.717 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000874432772 597076383 /nfs/dbraw/zinc/07/63/83/597076383.db2.gz RCHKDIJYZQZDGT-HLLBOEOZSA-N 2 0 346.475 1.869 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000874846298 597198419 /nfs/dbraw/zinc/19/84/19/597198419.db2.gz XYBTZDSLSBNRLL-IPMKNSEASA-N 2 0 342.487 1.989 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H](C)C1 ZINC000873218431 597231241 /nfs/dbraw/zinc/23/12/41/597231241.db2.gz GPQMBFADXJLTDY-KDOFPFPSSA-N 3 0 328.464 1.546 20 0 EDADRP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873229179 597235161 /nfs/dbraw/zinc/23/51/61/597235161.db2.gz OMDFFHDCHJVNTL-HNNXBMFYSA-N 2 0 344.459 1.200 20 0 EDADRP FC(F)(F)C(F)(F)OCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000873282200 597248196 /nfs/dbraw/zinc/24/81/96/597248196.db2.gz GIVXFXCOCTWPCT-GMTAPVOTSA-N 2 0 332.313 1.905 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000876708984 597297307 /nfs/dbraw/zinc/29/73/07/597297307.db2.gz GFGCBDAYTRALKL-BPQIPLTHSA-N 2 0 349.450 1.896 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876728940 597309541 /nfs/dbraw/zinc/30/95/41/597309541.db2.gz ZYUYLBIMNKJZAM-KBPBESRZSA-N 2 0 329.485 1.412 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000876736538 597314178 /nfs/dbraw/zinc/31/41/78/597314178.db2.gz KNMDAGACKPBPEA-UHFFFAOYSA-N 2 0 333.480 1.653 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@@H](F)[C@H]3CC[NH2+]C3)C2)CC1 ZINC000876742343 597317249 /nfs/dbraw/zinc/31/72/49/597317249.db2.gz XIPYCFPSEHGHCA-ULQDDVLXSA-N 2 0 325.472 1.905 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876746322 597318793 /nfs/dbraw/zinc/31/87/93/597318793.db2.gz QZVBZASAYGMMDH-AEFFLSMTSA-N 2 0 349.450 1.777 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000876754796 597323709 /nfs/dbraw/zinc/32/37/09/597323709.db2.gz QLLTZDXGTBBOTQ-IRXDYDNUSA-N 2 0 345.491 1.816 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876774826 597334918 /nfs/dbraw/zinc/33/49/18/597334918.db2.gz IGANPGDVFGAYJU-CVEARBPZSA-N 2 0 341.471 1.333 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCC23CC(C2)C[NH2+]3)c2ccccc2O1 ZINC000876778399 597337376 /nfs/dbraw/zinc/33/73/76/597337376.db2.gz DHZVSUJXBCHINV-XAUUPUKJSA-N 2 0 329.444 1.874 20 0 EDADRP CC[C@H]1CC(=O)N(CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000124614933 597344247 /nfs/dbraw/zinc/34/42/47/597344247.db2.gz OVANIIWGXYGXBI-XNHLSEOASA-N 2 0 334.508 1.445 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000876829432 597353061 /nfs/dbraw/zinc/35/30/61/597353061.db2.gz HUBKHLUXTRPZBG-INIZCTEOSA-N 2 0 345.491 1.722 20 0 EDADRP [NH3+][C@H](C(=O)N[C@H]1C[NH2+]CCC1(F)F)c1cccc(C(F)(F)F)c1 ZINC000876865730 597362379 /nfs/dbraw/zinc/36/23/79/597362379.db2.gz GINJKWZDNOLIIL-QWRGUYRKSA-N 2 0 337.292 1.819 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876919520 597385119 /nfs/dbraw/zinc/38/51/19/597385119.db2.gz WGEMAYVVBKYYIQ-CYBMUJFWSA-N 2 0 338.477 1.108 20 0 EDADRP C[C@@H](Cc1ccncc1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875348312 597394824 /nfs/dbraw/zinc/39/48/24/597394824.db2.gz IYSXGQNNJGZRRC-CGTJXYLNSA-N 2 0 347.507 1.393 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1F ZINC000876966274 597400895 /nfs/dbraw/zinc/40/08/95/597400895.db2.gz OJWIWZUJUGJAQB-GUSZCTEKSA-N 2 0 349.450 1.914 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000876970455 597402055 /nfs/dbraw/zinc/40/20/55/597402055.db2.gz RPQYWJXFSISQAB-SJORKVTESA-N 2 0 347.507 1.966 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000877132792 597439625 /nfs/dbraw/zinc/43/96/25/597439625.db2.gz NKGLOLHFCGRHLW-LJQANCHMSA-N 2 0 345.487 1.690 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000877133139 597439653 /nfs/dbraw/zinc/43/96/53/597439653.db2.gz XGFXUMMCXJXSKL-WMZOPIPTSA-N 2 0 339.524 1.829 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877144341 597441982 /nfs/dbraw/zinc/44/19/82/597441982.db2.gz KWHOAVYTIQLDIK-BZUAXINKSA-N 3 0 326.529 1.208 20 0 EDADRP CCO[C@H]1COCC[C@@H]1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877198964 597459357 /nfs/dbraw/zinc/45/93/57/597459357.db2.gz BDBHNWGEUDIWEY-ZBFHGGJFSA-N 2 0 348.447 1.261 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877224629 597466385 /nfs/dbraw/zinc/46/63/85/597466385.db2.gz LDCZRJPATUDDJT-QGZVFWFLSA-N 2 0 332.492 1.045 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[C@@H](C)C3CC[NH2+]CC3)C[C@H]2[NH3+])cc1 ZINC000877236199 597473647 /nfs/dbraw/zinc/47/36/47/597473647.db2.gz XKRPZVBHOHAZQO-MDASCCDHSA-N 2 0 345.487 1.974 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1(C)C ZINC000877342418 597496500 /nfs/dbraw/zinc/49/65/00/597496500.db2.gz BLSRRZYCUHLZHV-FCEWJHQRSA-N 2 0 331.460 1.350 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000877354873 597499395 /nfs/dbraw/zinc/49/93/95/597499395.db2.gz DYVKKDYEESWHLE-UWVGGRQHSA-N 2 0 333.379 1.603 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000877404930 597511055 /nfs/dbraw/zinc/51/10/55/597511055.db2.gz CYFZQXPEXFFBCX-SJORKVTESA-N 2 0 345.491 1.850 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000877451919 597517226 /nfs/dbraw/zinc/51/72/26/597517226.db2.gz VZOOWLRMQSPFRF-JQHSSLGASA-N 2 0 326.444 1.733 20 0 EDADRP CO[C@H](CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000877670388 597546548 /nfs/dbraw/zinc/54/65/48/597546548.db2.gz MIOHZVQUPAWIPZ-KZNAEPCWSA-N 2 0 327.513 1.099 20 0 EDADRP COc1ccc(OCC[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877746608 597552676 /nfs/dbraw/zinc/55/26/76/597552676.db2.gz SZQUKTNNMPIORS-UHFFFAOYSA-N 2 0 333.476 1.786 20 0 EDADRP CCCNC(=O)C1([NH2+]CC(=O)NC2CC[NH+](C)CC2)CCCCC1 ZINC000878264558 597591251 /nfs/dbraw/zinc/59/12/51/597591251.db2.gz GNZRIODEVJXHBZ-UHFFFAOYSA-N 2 0 338.496 1.016 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)CC1(O)CCCC1)C1CC[NH+](C)CC1 ZINC000878311269 597594516 /nfs/dbraw/zinc/59/45/16/597594516.db2.gz GMIGJNPGMJGONX-QGZVFWFLSA-N 2 0 327.513 1.000 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CC3(O)CCCCC3)CC2)CC1 ZINC000879594668 597649953 /nfs/dbraw/zinc/64/99/53/597649953.db2.gz QCPBJHRNZVUXBC-SFHVURJKSA-N 2 0 339.524 1.144 20 0 EDADRP Cc1cc(NC(=O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n(C)n1 ZINC000879702293 597694797 /nfs/dbraw/zinc/69/47/97/597694797.db2.gz JASGUHRXTJLWOU-UHFFFAOYSA-N 2 0 335.496 1.967 20 0 EDADRP COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746336 597698037 /nfs/dbraw/zinc/69/80/37/597698037.db2.gz ATDGSOIOMPRIOY-MRXNPFEDSA-N 2 0 331.416 1.830 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000883300785 597706509 /nfs/dbraw/zinc/70/65/09/597706509.db2.gz HMGOAGIFPRKCJM-SOUVJXGZSA-N 2 0 343.537 1.699 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000131788629 597741079 /nfs/dbraw/zinc/74/10/79/597741079.db2.gz OQOILFPXCDTESK-INIZCTEOSA-N 2 0 333.432 1.922 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN(CCC[NH3+])CC(F)(F)F)CC1 ZINC000883443903 597749103 /nfs/dbraw/zinc/74/91/03/597749103.db2.gz NFWZSYXLVZGFSN-UHFFFAOYSA-N 2 0 338.418 1.189 20 0 EDADRP O=C(CC[N@@H+]1CC[NH2+]CCC12CCC2)Nc1ccc2c(c1)OCO2 ZINC000883457357 597755471 /nfs/dbraw/zinc/75/54/71/597755471.db2.gz BSUABDNYKAAHOT-UHFFFAOYSA-N 2 0 331.416 1.962 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000883490217 597772962 /nfs/dbraw/zinc/77/29/62/597772962.db2.gz HHNKCKDOQSPWGI-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000883544291 597796756 /nfs/dbraw/zinc/79/67/56/597796756.db2.gz LFJVALIBFCRLIG-OAHLLOKOSA-N 2 0 347.463 1.453 20 0 EDADRP Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)c(C)cn1 ZINC000879074859 597810532 /nfs/dbraw/zinc/81/05/32/597810532.db2.gz BBUFEEKSKJUIOR-INIZCTEOSA-N 2 0 332.448 1.885 20 0 EDADRP [NH3+][C@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)C1CC1 ZINC000883586799 597815001 /nfs/dbraw/zinc/81/50/01/597815001.db2.gz SQQCKFYVCHZYNG-QZTJIDSGSA-N 2 0 343.475 1.830 20 0 EDADRP [NH3+][C@H](CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883586801 597815070 /nfs/dbraw/zinc/81/50/70/597815070.db2.gz SQQCKFYVCHZYNG-ZWKOTPCHSA-N 2 0 343.475 1.830 20 0 EDADRP COCC[N@H+](CCc1nnn(C(C)(C)C)n1)CC1CC[NH+](C)CC1 ZINC000879127286 597827565 /nfs/dbraw/zinc/82/75/65/597827565.db2.gz UTOHNEGQIZBBLY-UHFFFAOYSA-N 2 0 338.500 1.261 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879248085 597864180 /nfs/dbraw/zinc/86/41/80/597864180.db2.gz IAXPSQAXPLRQFU-HNNXBMFYSA-N 2 0 338.496 1.665 20 0 EDADRP CN(C)c1cncc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000880360112 597913459 /nfs/dbraw/zinc/91/34/59/597913459.db2.gz KKSFJNCLQJLDSX-HUUCEWRRSA-N 2 0 348.495 1.351 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])c1ccc(Br)cc1)[C@H]1CCC[NH2+]C1 ZINC000884019051 597969534 /nfs/dbraw/zinc/96/95/34/597969534.db2.gz KJSUPOCJNVUWIE-VHRBIJSZSA-N 2 0 340.265 1.953 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000884172729 598013805 /nfs/dbraw/zinc/01/38/05/598013805.db2.gz CJZSISZRAQQRRA-INIZCTEOSA-N 2 0 349.479 1.270 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000884177411 598015624 /nfs/dbraw/zinc/01/56/24/598015624.db2.gz IWLKFYVBHHMIBB-IAGOWNOFSA-N 2 0 335.448 1.312 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[NH2+]CC3(C)C)nc2)CC1 ZINC000884236755 598038840 /nfs/dbraw/zinc/03/88/40/598038840.db2.gz FXKREBLTWNHILF-MRXNPFEDSA-N 2 0 345.491 1.796 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N(CC[NH3+])Cc2ccccc2)c1 ZINC000884250917 598043266 /nfs/dbraw/zinc/04/32/66/598043266.db2.gz RNQVZYYTZOFPAH-UHFFFAOYSA-N 2 0 327.428 1.886 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000884268375 598048688 /nfs/dbraw/zinc/04/86/88/598048688.db2.gz DSCZPLYFAGMFDH-SQNIBIBYSA-N 2 0 333.476 1.549 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C[C@@H]1C ZINC000130350654 598091342 /nfs/dbraw/zinc/09/13/42/598091342.db2.gz XLIQTJDSVJRPQH-XHSDSOJGSA-N 2 0 342.528 1.713 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NCc1nc(CN(C)C)cs1 ZINC000914081101 695078244 /nfs/dbraw/zinc/07/82/44/695078244.db2.gz POSQRTRNZUSQTJ-ZDUSSCGKSA-N 2 0 339.509 1.878 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnon4)[C@H]3C2)CCC1 ZINC000992709170 695225895 /nfs/dbraw/zinc/22/58/95/695225895.db2.gz HRNKXRYYIWRGKM-CWRNSKLLSA-N 2 0 347.463 1.271 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4ccon4)[C@@H]3C2)CCC1 ZINC000992724549 695239187 /nfs/dbraw/zinc/23/91/87/695239187.db2.gz WYCVZAZMMODROY-USXIJHARSA-N 2 0 346.475 1.876 20 0 EDADRP CCO[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914342586 695366948 /nfs/dbraw/zinc/36/69/48/695366948.db2.gz ZZBPVPXFLVNYJG-OWCLPIDISA-N 2 0 328.501 1.373 20 0 EDADRP CCO[C@H](CNC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1)C[NH+](C)C ZINC000914342585 695367177 /nfs/dbraw/zinc/36/71/77/695367177.db2.gz ZZBPVPXFLVNYJG-HRCADAONSA-N 2 0 328.501 1.373 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCF)[C@H]3C2)CC1 ZINC000992850170 695407103 /nfs/dbraw/zinc/40/71/03/695407103.db2.gz BMMQANWFCOKFJZ-ULQDDVLXSA-N 2 0 325.472 1.905 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@@H]3C2)c1 ZINC000992925650 695457202 /nfs/dbraw/zinc/45/72/02/695457202.db2.gz LACAYHWDDGDUIX-OTWHNJEPSA-N 2 0 345.487 1.571 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)cc1 ZINC001031104257 695527403 /nfs/dbraw/zinc/52/74/03/695527403.db2.gz LRBQQYBTMDRAFX-YLJYHZDGSA-N 2 0 343.471 1.589 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@@H]3C[C@@]34CCOC4)C2)CC1 ZINC001031188506 695707169 /nfs/dbraw/zinc/70/71/69/695707169.db2.gz PKYAPUYPXWOCHD-QFBILLFUSA-N 2 0 335.492 1.334 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CN(Cc2cncn2C)C1 ZINC001031237060 695940237 /nfs/dbraw/zinc/94/02/37/695940237.db2.gz RAGIPCKHRZIOOL-QGZVFWFLSA-N 2 0 333.480 1.375 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CSC1 ZINC000915541986 695941540 /nfs/dbraw/zinc/94/15/40/695941540.db2.gz IUFOFSTZGRRYSN-UHFFFAOYSA-N 2 0 349.504 1.256 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2C[NH+](C[C@H]3CCc4ccccc4C3)C2)C1 ZINC001031257919 696064810 /nfs/dbraw/zinc/06/48/10/696064810.db2.gz AVPPQTCPHMMTNM-DLBZAZTESA-N 2 0 341.499 1.934 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801908 696378464 /nfs/dbraw/zinc/37/84/64/696378464.db2.gz DDZBAXBAZFSPKR-WBVHZDCISA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)CCCN1Cc1cncn1C ZINC000993801903 696378543 /nfs/dbraw/zinc/37/85/43/696378543.db2.gz DDZBAXBAZFSPKR-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000993980937 696480391 /nfs/dbraw/zinc/48/03/91/696480391.db2.gz CIYIODISBHEGGF-MAUKXSAKSA-N 2 0 333.476 1.977 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@@H]2CC[NH+](C[C@@H]3CC(C)(C)CO3)C2)C1 ZINC001015710556 696647590 /nfs/dbraw/zinc/64/75/90/696647590.db2.gz NPTSHKNBLSRXAC-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1ccnn1C ZINC000994252537 696648886 /nfs/dbraw/zinc/64/88/86/696648886.db2.gz MEPCHNYLNRGATK-NVXWUHKLSA-N 2 0 345.491 1.028 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000940008673 700110736 /nfs/dbraw/zinc/11/07/36/700110736.db2.gz XOOVANXDWJFVQP-INIZCTEOSA-N 2 0 333.480 1.468 20 0 EDADRP C[NH+](C)[C@H](CNC(=S)NC1CC[NH+](C)CC1)c1cccs1 ZINC000920307626 697419229 /nfs/dbraw/zinc/41/92/29/697419229.db2.gz JTBJZAQSCYJAJW-CYBMUJFWSA-N 2 0 326.535 1.909 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCCOC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730428 698071610 /nfs/dbraw/zinc/07/16/10/698071610.db2.gz OGTQNDBLTXSRLU-APWZRJJASA-N 2 0 349.519 1.868 20 0 EDADRP CCOC(=O)[C@]1(C)CC(=O)N(CN2CCC[C@H]3C[N@H+](C)CC[C@@H]32)C1 ZINC000184885081 698572308 /nfs/dbraw/zinc/57/23/08/698572308.db2.gz UHTYAHYUTPHVRL-RLFYNMQTSA-N 2 0 337.464 1.162 20 0 EDADRP O=C(N1CCN(C2C[NH+](CC3CCC3)C2)CC1)C12CCC[NH+]1CCC2 ZINC000941474990 701551220 /nfs/dbraw/zinc/55/12/20/701551220.db2.gz JDAULVFTXJGMSO-UHFFFAOYSA-N 2 0 346.519 1.243 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](C)OC)C1 ZINC001032119267 699002057 /nfs/dbraw/zinc/00/20/57/699002057.db2.gz KQSCEAWFHYZHRO-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)C23CCC[NH+](CCC2)C3)C1)C1CCC1 ZINC001031764768 699049631 /nfs/dbraw/zinc/04/96/31/699049631.db2.gz NDWQTUOZVHLQTE-SFHVURJKSA-N 2 0 349.519 1.726 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001031766084 699055595 /nfs/dbraw/zinc/05/55/95/699055595.db2.gz AXLZGGZRSZAYJU-QZTJIDSGSA-N 2 0 345.491 1.028 20 0 EDADRP COc1cc(CN2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001031777216 699162730 /nfs/dbraw/zinc/16/27/30/699162730.db2.gz YSPFQSOZGAORGW-INIZCTEOSA-N 2 0 332.448 1.123 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2)C1)[C@H]1CCc2nccn2C1 ZINC001031783210 699208980 /nfs/dbraw/zinc/20/89/80/699208980.db2.gz UPXCFPHLCUQGCV-SFHVURJKSA-N 2 0 338.455 1.736 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939396566 699546394 /nfs/dbraw/zinc/54/63/94/699546394.db2.gz KNQZAJQLDQNCHH-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H](C)[C@H]([NH2+]Cc3ccn(C)n3)C2)CC1 ZINC000939453056 699578475 /nfs/dbraw/zinc/57/84/75/699578475.db2.gz FVIBJRKWUZSEHX-CRAIPNDOSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)cn1 ZINC000995164847 701604416 /nfs/dbraw/zinc/60/44/16/701604416.db2.gz BPXMXRWBJFBPIA-HOTGVXAUSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1ncsc1CC[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939549756 699683054 /nfs/dbraw/zinc/68/30/54/699683054.db2.gz CKYLIGJNVXWUJC-ZFWWWQNUSA-N 2 0 348.516 1.526 20 0 EDADRP O=C(NCC1C[NH+](CCC2CC2)C1)c1ccn(-c2cc[nH+]cc2)n1 ZINC001031838090 699799448 /nfs/dbraw/zinc/79/94/48/699799448.db2.gz KUCPVEQYPZOVMX-UHFFFAOYSA-N 2 0 325.416 1.729 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c1 ZINC000939752772 699902233 /nfs/dbraw/zinc/90/22/33/699902233.db2.gz ACJLNEDVIFXAEU-CRAIPNDOSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939809772 699958137 /nfs/dbraw/zinc/95/81/37/699958137.db2.gz JLGSFDVZHARVNR-DOTOQJQBSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810202 699958486 /nfs/dbraw/zinc/95/84/86/699958486.db2.gz LIRXZGVNBBRFRC-RHSMWYFYSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1)[NH+](C)C ZINC000940164550 700299079 /nfs/dbraw/zinc/29/90/79/700299079.db2.gz PTLZACAFIDITKC-INIZCTEOSA-N 2 0 335.496 1.477 20 0 EDADRP Cc1nnsc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995166645 701628919 /nfs/dbraw/zinc/62/89/19/701628919.db2.gz GMIHEADHKHOEHT-KGLIPLIRSA-N 2 0 349.504 1.317 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)n1 ZINC000995166678 701629658 /nfs/dbraw/zinc/62/96/58/701629658.db2.gz GVNRJOYOSBQVRI-HOTGVXAUSA-N 2 0 345.491 1.373 20 0 EDADRP COC[C@@]1(C)CC(=O)N(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)C1 ZINC000083112173 700330276 /nfs/dbraw/zinc/33/02/76/700330276.db2.gz XDIBUJJFMHEUIG-SFHVURJKSA-N 2 0 325.497 1.881 20 0 EDADRP CC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219667 700381599 /nfs/dbraw/zinc/38/15/99/700381599.db2.gz UFMNTZGFEDOKQY-WUJZJPHMSA-N 2 0 333.476 1.230 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC000940327624 700504594 /nfs/dbraw/zinc/50/45/94/700504594.db2.gz LHCVLMKGQWQWNU-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940328548 700506995 /nfs/dbraw/zinc/50/69/95/700506995.db2.gz KIZMUMZTAOMAOI-OAHLLOKOSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)n1 ZINC000940328976 700507947 /nfs/dbraw/zinc/50/79/47/700507947.db2.gz PGMNFCVZLLDTDE-HNNXBMFYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)on1 ZINC000940329159 700508601 /nfs/dbraw/zinc/50/86/01/700508601.db2.gz QJUIMUWDZZIFQN-OAHLLOKOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000940329234 700508635 /nfs/dbraw/zinc/50/86/35/700508635.db2.gz SBDBYSUAODRKAJ-ZDUSSCGKSA-N 2 0 335.452 1.333 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)C1 ZINC000940329885 700509694 /nfs/dbraw/zinc/50/96/94/700509694.db2.gz ZFEKCGQIMNAKEU-ZDUSSCGKSA-N 2 0 337.493 1.351 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)s1 ZINC000940355795 700517476 /nfs/dbraw/zinc/51/74/76/700517476.db2.gz APJRXYZCGVCZHP-UHFFFAOYSA-N 2 0 348.476 1.537 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426130 700619677 /nfs/dbraw/zinc/61/96/77/700619677.db2.gz GOUVXDZAXYOLBV-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081488 700711840 /nfs/dbraw/zinc/71/18/40/700711840.db2.gz VHCQUHLDOVIYHW-HIFRSBDPSA-N 2 0 335.452 1.094 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940902238 700977085 /nfs/dbraw/zinc/97/70/85/700977085.db2.gz ZTHYAABHKOKQLR-IOSXPMGOSA-N 2 0 335.492 1.475 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@H]1NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000940917971 700995406 /nfs/dbraw/zinc/99/54/06/700995406.db2.gz HDTHJMTZJVBSPF-IAGOWNOFSA-N 2 0 337.508 1.460 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC000940980741 701020915 /nfs/dbraw/zinc/02/09/15/701020915.db2.gz XGLVHAPCKMGKBA-JYJNAYRXSA-N 2 0 325.497 1.580 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCO)CC1(C)C ZINC000941157457 701221179 /nfs/dbraw/zinc/22/11/79/701221179.db2.gz CJDKLQXKERURRW-DLBZAZTESA-N 2 0 339.524 1.850 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217390 701403826 /nfs/dbraw/zinc/40/38/26/701403826.db2.gz NPRUYWZPUWJREM-CVEARBPZSA-N 2 0 333.480 1.052 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408876 701521280 /nfs/dbraw/zinc/52/12/80/701521280.db2.gz WRGAKGYVQLRRBI-ZWKOTPCHSA-N 2 0 348.535 1.489 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456672 701543100 /nfs/dbraw/zinc/54/31/00/701543100.db2.gz RWMSZTAGFUNBDL-WMZOPIPTSA-N 2 0 334.508 1.242 20 0 EDADRP Cc1nc(CN[C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000999174060 706605504 /nfs/dbraw/zinc/60/55/04/706605504.db2.gz NTTPLRIJKZTQEG-WBVHZDCISA-N 2 0 348.516 1.874 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1C ZINC001032130033 701831932 /nfs/dbraw/zinc/83/19/32/701831932.db2.gz DZXUDRGNOYHBPH-UHFFFAOYSA-N 2 0 343.471 1.647 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](Cc2cccc(N(C)C)c2)C1 ZINC001031978306 702079216 /nfs/dbraw/zinc/07/92/16/702079216.db2.gz RSGYYSUGCQJULZ-KXBFYZLASA-N 2 0 344.503 1.498 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995857644 702167641 /nfs/dbraw/zinc/16/76/41/702167641.db2.gz ZRIFXQUKSCXARE-JSGCOSHPSA-N 2 0 339.505 1.631 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995899442 702204728 /nfs/dbraw/zinc/20/47/28/702204728.db2.gz WGBRZQZVBQCFPE-HZPDHXFCSA-N 2 0 333.480 1.087 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)cn1 ZINC000995887006 702224277 /nfs/dbraw/zinc/22/42/77/702224277.db2.gz NELSDCZYOKDRHI-INIZCTEOSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)on1 ZINC000995916035 702276370 /nfs/dbraw/zinc/27/63/70/702276370.db2.gz HSRTUXGXDAWDKY-MRXNPFEDSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001032186081 702313985 /nfs/dbraw/zinc/31/39/85/702313985.db2.gz HNTRSBAWVOUHJE-QGZVFWFLSA-N 2 0 331.460 1.374 20 0 EDADRP Cc1ccnc(CN[C@H]2CN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2(C)C)n1 ZINC000995975244 702331873 /nfs/dbraw/zinc/33/18/73/702331873.db2.gz IXPKMKUENQSQPU-HOTGVXAUSA-N 2 0 345.491 1.596 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995972943 702357416 /nfs/dbraw/zinc/35/74/16/702357416.db2.gz FJMJTEDYCUOBFJ-HOTGVXAUSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169112 702410444 /nfs/dbraw/zinc/41/04/44/702410444.db2.gz MDTKDBJFDCJHFZ-GDBMZVCRSA-N 2 0 343.475 1.207 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCOC2)CC1 ZINC001032666119 706679781 /nfs/dbraw/zinc/67/97/81/706679781.db2.gz WYWOOLQBPLICRZ-BZSNNMDCSA-N 2 0 335.492 1.430 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCO ZINC000996187648 702592605 /nfs/dbraw/zinc/59/26/05/702592605.db2.gz CQYLXCYIVMHWRZ-DLBZAZTESA-N 2 0 337.508 1.602 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[C@@H]1[NH2+]CCO ZINC000996187656 702592861 /nfs/dbraw/zinc/59/28/61/702592861.db2.gz CQYLXCYIVMHWRZ-IRXDYDNUSA-N 2 0 337.508 1.602 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000996195792 702622297 /nfs/dbraw/zinc/62/22/97/702622297.db2.gz KRELKHNDPYQHFP-XIRDDKMYSA-N 2 0 347.507 1.477 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000996199268 702625758 /nfs/dbraw/zinc/62/57/58/702625758.db2.gz YZJILNQKVNURGV-YESZJQIVSA-N 2 0 347.507 1.440 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996246082 702649648 /nfs/dbraw/zinc/64/96/48/702649648.db2.gz JICCVLNGSWJNQF-NVXWUHKLSA-N 2 0 349.523 1.816 20 0 EDADRP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995207985 702667325 /nfs/dbraw/zinc/66/73/25/702667325.db2.gz FMNKTTFPDLECAC-HZPDHXFCSA-N 2 0 346.475 1.561 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)nn1C ZINC000996299693 702690353 /nfs/dbraw/zinc/69/03/53/702690353.db2.gz CGBUYQDKVPUYTF-YOEHRIQHSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3cnns3)C(C)(C)C2)C1 ZINC000996299825 702690640 /nfs/dbraw/zinc/69/06/40/702690640.db2.gz DWSHGEIQNRWLAH-GXTWGEPZSA-N 2 0 337.493 1.207 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299891 702691284 /nfs/dbraw/zinc/69/12/84/702691284.db2.gz GHJSHWMRUZUNEY-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300672 702692685 /nfs/dbraw/zinc/69/26/85/702692685.db2.gz OGSIVBOYNCCKSO-CJNGLKHVSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302675 702694879 /nfs/dbraw/zinc/69/48/79/702694879.db2.gz YRHWRBZSQJPFCE-HIFRSBDPSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nn1C ZINC000995217374 702737912 /nfs/dbraw/zinc/73/79/12/702737912.db2.gz WNYGOFRIXDBXPO-JKSUJKDBSA-N 2 0 333.480 1.199 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996387120 702750355 /nfs/dbraw/zinc/75/03/55/702750355.db2.gz USQJWXAICWCYHB-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000942260242 702769854 /nfs/dbraw/zinc/76/98/54/702769854.db2.gz XXTXUALOYNBGBH-RDJZCZTQSA-N 2 0 345.491 1.375 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)n1 ZINC000996462994 702790447 /nfs/dbraw/zinc/79/04/47/702790447.db2.gz DOVYKXQHKXOBHY-QGZVFWFLSA-N 2 0 348.495 1.251 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1 ZINC000996506373 702827388 /nfs/dbraw/zinc/82/73/88/702827388.db2.gz LJYNOEVTFYOURJ-JKSUJKDBSA-N 2 0 325.497 1.460 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996522210 702857787 /nfs/dbraw/zinc/85/77/87/702857787.db2.gz YJJGIERPDZFLLH-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)nc1 ZINC000996561631 702875485 /nfs/dbraw/zinc/87/54/85/702875485.db2.gz RYWCWSJKDOJHKD-QGZVFWFLSA-N 2 0 343.475 1.207 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996559787 702877956 /nfs/dbraw/zinc/87/79/56/702877956.db2.gz FFINDFLDOJCKNU-SFHVURJKSA-N 2 0 328.460 1.504 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)s1 ZINC000996559947 702878256 /nfs/dbraw/zinc/87/82/56/702878256.db2.gz HQVYTJGXTVGDMD-OAHLLOKOSA-N 2 0 349.504 1.269 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccn(CC)n3)CC2)CC[N@@H+]1C ZINC000996602779 702904332 /nfs/dbraw/zinc/90/43/32/702904332.db2.gz GIWYQQJXGVAVES-ZWKOTPCHSA-N 2 0 347.507 1.714 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3ccns3)CC2)CC[N@@H+]1C ZINC000996601903 702908798 /nfs/dbraw/zinc/90/87/98/702908798.db2.gz BCSCTIIDKUNUMN-JKSUJKDBSA-N 2 0 336.505 1.954 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cn(CC)nn3)CC2)CC[N@@H+]1C ZINC000996603411 702912724 /nfs/dbraw/zinc/91/27/24/702912724.db2.gz LOOLEFPCWWFWMH-DLBZAZTESA-N 2 0 348.495 1.109 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000996667759 702964857 /nfs/dbraw/zinc/96/48/57/702964857.db2.gz YFHGSCOJXDXODV-QGZVFWFLSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996665012 702967073 /nfs/dbraw/zinc/96/70/73/702967073.db2.gz NVDLCDFTLXVMEB-UHFFFAOYSA-N 2 0 333.480 1.293 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([NH2+]Cc3ccc(F)cn3)CC2)CCC1 ZINC000996669240 702970763 /nfs/dbraw/zinc/97/07/63/702970763.db2.gz GIGASOIIDCKTPI-UHFFFAOYSA-N 2 0 334.439 1.786 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000996679778 702978475 /nfs/dbraw/zinc/97/84/75/702978475.db2.gz QSONJAGIBWDTHN-KRWDZBQOSA-N 2 0 348.495 1.280 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000996725144 703019795 /nfs/dbraw/zinc/01/97/95/703019795.db2.gz SEKFQGBCOIZRSX-VJFUWPCTSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cncs2)CC1)C12CCC[NH+]1CCC2 ZINC000996764777 703053392 /nfs/dbraw/zinc/05/33/92/703053392.db2.gz FCOSUWSLWUZAPO-UHFFFAOYSA-N 2 0 334.489 1.852 20 0 EDADRP CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C(F)(F)F ZINC000996821838 703109366 /nfs/dbraw/zinc/10/93/66/703109366.db2.gz ASBONELUJPDLCQ-CHWSQXEVSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CCO1 ZINC000996951813 703222425 /nfs/dbraw/zinc/22/24/25/703222425.db2.gz IMYOPJKPLYQFKM-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cs1 ZINC000996955578 703224632 /nfs/dbraw/zinc/22/46/32/703224632.db2.gz PUEHBJJLAXROIS-UHFFFAOYSA-N 2 0 336.505 1.874 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996963627 703232349 /nfs/dbraw/zinc/23/23/49/703232349.db2.gz GEHVDUDLFFDHDI-DZGCQCFKSA-N 2 0 336.484 1.043 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996993804 703250317 /nfs/dbraw/zinc/25/03/17/703250317.db2.gz FPWYHZATDJVXSH-OAHLLOKOSA-N 2 0 333.480 1.468 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000997006200 703263590 /nfs/dbraw/zinc/26/35/90/703263590.db2.gz FLJAKSHUYFKRGB-BBRMVZONSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)s1 ZINC000997006559 703263777 /nfs/dbraw/zinc/26/37/77/703263777.db2.gz MUNHXESNFWKYLT-GFCCVEGCSA-N 2 0 337.493 1.269 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997003567 703267631 /nfs/dbraw/zinc/26/76/31/703267631.db2.gz BXLLFDWUQZISTH-OAHLLOKOSA-N 2 0 348.495 1.281 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009373 703270156 /nfs/dbraw/zinc/27/01/56/703270156.db2.gz ZWPNBCGVEIHDDM-CQSZACIVSA-N 2 0 331.464 1.207 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)o1 ZINC000997014607 703273836 /nfs/dbraw/zinc/27/38/36/703273836.db2.gz IMSPSPBWGRXGCO-HNNXBMFYSA-N 2 0 336.480 1.966 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1cnccn1 ZINC000997058957 703304384 /nfs/dbraw/zinc/30/43/84/703304384.db2.gz STQSQWDJYPDOHN-HNNXBMFYSA-N 2 0 345.491 1.850 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997086612 703332152 /nfs/dbraw/zinc/33/21/52/703332152.db2.gz AHFHALAXFDUNIY-SJLPKXTDSA-N 2 0 345.491 1.518 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H](O)C2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC000997188734 703478701 /nfs/dbraw/zinc/47/87/01/703478701.db2.gz QNKRXQQPMYRSRM-SFHVURJKSA-N 2 0 349.519 1.604 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)c(C)s1 ZINC000997192629 703489796 /nfs/dbraw/zinc/48/97/96/703489796.db2.gz KVJPXVDEYFUPEG-UHFFFAOYSA-N 2 0 348.516 1.936 20 0 EDADRP CC[NH+](CC)CC(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001060821968 703537075 /nfs/dbraw/zinc/53/70/75/703537075.db2.gz NWTKPUPBUWTBSP-WKILWMFISA-N 2 0 340.512 1.071 20 0 EDADRP CC[C@@H](C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1)OC ZINC000997261471 703540308 /nfs/dbraw/zinc/54/03/08/703540308.db2.gz QXHOVHCTRRQLSG-HYVNUMGLSA-N 2 0 325.497 1.722 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3F)CC2)C1 ZINC000997300858 703544166 /nfs/dbraw/zinc/54/41/66/703544166.db2.gz YNRGIPIFKLDWKC-KBXCAEBGSA-N 2 0 349.450 1.391 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([NH2+]C[C@H](C)O)CC2)o1 ZINC000997405925 703661233 /nfs/dbraw/zinc/66/12/33/703661233.db2.gz UAZRMGYEMSEBBY-AWEZNQCLSA-N 2 0 337.464 1.696 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCn2cccn2)CC1 ZINC000997515839 703763534 /nfs/dbraw/zinc/76/35/34/703763534.db2.gz NVEWUVCYIZVFRO-DOTOQJQBSA-N 2 0 333.480 1.194 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC000997610945 703910709 /nfs/dbraw/zinc/91/07/09/703910709.db2.gz AUVCYAQOMFRYHZ-HIFRSBDPSA-N 2 0 348.495 1.351 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922533044 703933901 /nfs/dbraw/zinc/93/39/01/703933901.db2.gz MCNZUFDTKVYOHE-ZBFHGGJFSA-N 2 0 326.485 1.268 20 0 EDADRP Cc1csc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995551507 703957384 /nfs/dbraw/zinc/95/73/84/703957384.db2.gz NRUNXXVQYUVAGO-KBPBESRZSA-N 2 0 336.505 1.872 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995551960 703958745 /nfs/dbraw/zinc/95/87/45/703958745.db2.gz PBOHZLFEUFCFQF-GOEBONIOSA-N 2 0 348.491 1.966 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033071234 704092184 /nfs/dbraw/zinc/09/21/84/704092184.db2.gz XVGODGUANCUMOI-QZTJIDSGSA-N 2 0 337.508 1.819 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)on1 ZINC000999294362 706791579 /nfs/dbraw/zinc/79/15/79/706791579.db2.gz SFPXIFCVVYYJNY-FXQLRMTLSA-N 2 0 334.464 1.792 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033081033 704135839 /nfs/dbraw/zinc/13/58/39/704135839.db2.gz KZLHRUNAWDTVEL-SJLPKXTDSA-N 2 0 346.475 1.666 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001033082292 704139132 /nfs/dbraw/zinc/13/91/32/704139132.db2.gz PWLFUSFQZHSEQQ-RTBURBONSA-N 2 0 342.487 1.765 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999315325 706814077 /nfs/dbraw/zinc/81/40/77/706814077.db2.gz CDOUVMJWGYXHDH-IUDNXUCKSA-N 2 0 335.448 1.570 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC1 ZINC000922845502 704421192 /nfs/dbraw/zinc/42/11/92/704421192.db2.gz CWTRLAPDYZAPRU-IIIMJFFVSA-N 2 0 333.480 1.954 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000997784282 704687814 /nfs/dbraw/zinc/68/78/14/704687814.db2.gz OFCMQEFSWQTPPZ-GOSISDBHSA-N 2 0 345.491 1.090 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)ncn1 ZINC000997793182 704699272 /nfs/dbraw/zinc/69/92/72/704699272.db2.gz NFYZGOVEMIBVCA-CRAIPNDOSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC000997791925 704700242 /nfs/dbraw/zinc/70/02/42/704700242.db2.gz BLEMKDQTDXYUSR-ZWKOTPCHSA-N 2 0 347.507 1.479 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000997793297 704700699 /nfs/dbraw/zinc/70/06/99/704700699.db2.gz PFUPNBCTCAFRII-BFYDXBDKSA-N 2 0 345.491 1.706 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C2CC[NH+](CCO)CC2)CC1 ZINC000997815964 704736819 /nfs/dbraw/zinc/73/68/19/704736819.db2.gz FCYMTUKCIKYANB-HNNXBMFYSA-N 2 0 325.497 1.316 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)CCC1 ZINC000997824371 704743848 /nfs/dbraw/zinc/74/38/48/704743848.db2.gz RQDQCDPWCQHSDU-UHFFFAOYSA-N 2 0 337.493 1.351 20 0 EDADRP Cn1ccc(C[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000997830647 704747801 /nfs/dbraw/zinc/74/78/01/704747801.db2.gz KZXFJXYKFNAHAQ-QGZVFWFLSA-N 2 0 333.480 1.089 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@@H]2C[C@@]23CCOC3)CC1)C1CCC1 ZINC000997831451 704749500 /nfs/dbraw/zinc/74/95/00/704749500.db2.gz SHYVLOPBMXVSBJ-FXAWDEMLSA-N 2 0 349.519 1.726 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000997856252 704764974 /nfs/dbraw/zinc/76/49/74/704764974.db2.gz SGSKQNCMTLQUAF-GDBMZVCRSA-N 2 0 333.480 1.706 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC000997854619 704766680 /nfs/dbraw/zinc/76/66/80/704766680.db2.gz HBLFAKCVMKKSFL-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000997863676 704770861 /nfs/dbraw/zinc/77/08/61/704770861.db2.gz DDEUCNGJIIXLHI-INIZCTEOSA-N 2 0 335.452 1.191 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@@H]1C ZINC000944965641 704836485 /nfs/dbraw/zinc/83/64/85/704836485.db2.gz TVUHJLUVJRANGX-WCQYABFASA-N 2 0 332.370 1.971 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997932340 705041440 /nfs/dbraw/zinc/04/14/40/705041440.db2.gz VKZIRJWBQPLMSR-HFCFLWKCSA-N 2 0 333.476 1.088 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000998003897 705164750 /nfs/dbraw/zinc/16/47/50/705164750.db2.gz DYTZGXCCLMRCLX-YJBOKZPZSA-N 2 0 347.507 1.479 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998004313 705166061 /nfs/dbraw/zinc/16/60/61/705166061.db2.gz LJAZRCHZHHNDDY-DLBZAZTESA-N 2 0 325.497 1.555 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000998029977 705213653 /nfs/dbraw/zinc/21/36/53/705213653.db2.gz CYKRWXBQQQCETJ-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000998031351 705216779 /nfs/dbraw/zinc/21/67/79/705216779.db2.gz KPDNABZQDUYXHY-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076595 705296429 /nfs/dbraw/zinc/29/64/29/705296429.db2.gz AKVFCQRRAQQWFG-YOEHRIQHSA-N 2 0 345.491 1.311 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998081611 705302359 /nfs/dbraw/zinc/30/23/59/705302359.db2.gz KQTBJISKEFPXNZ-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1 ZINC000998081265 705302647 /nfs/dbraw/zinc/30/26/47/705302647.db2.gz IBNGRLMZJRMFAZ-KBXCAEBGSA-N 2 0 348.466 1.747 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cnn(C)c3)CC2)C1 ZINC000998082586 705310056 /nfs/dbraw/zinc/31/00/56/705310056.db2.gz RFNHUACOLZUWQY-HNNXBMFYSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1ncccc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000998083100 705311795 /nfs/dbraw/zinc/31/17/95/705311795.db2.gz UUPIUSIJZKWMKE-BEFAXECRSA-N 2 0 344.503 1.916 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000998087936 705321042 /nfs/dbraw/zinc/32/10/42/705321042.db2.gz YZNCPTGDAGFWNM-ZDUSSCGKSA-N 2 0 325.482 1.207 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)CC1 ZINC001015898512 705419853 /nfs/dbraw/zinc/41/98/53/705419853.db2.gz FRIBHMCITLRVJV-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)sn1 ZINC000998223972 705552185 /nfs/dbraw/zinc/55/21/85/705552185.db2.gz UPODNHXVTOUWRR-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000998287706 705682762 /nfs/dbraw/zinc/68/27/62/705682762.db2.gz QEBAHFJMBGGBQD-HOTGVXAUSA-N 2 0 347.507 1.621 20 0 EDADRP CO[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2N(C)C(=O)N[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC000925343293 705719011 /nfs/dbraw/zinc/71/90/11/705719011.db2.gz HKHQIWFKIVNNFY-OVYGPGRDSA-N 2 0 338.496 1.362 20 0 EDADRP CN(C)c1ccccc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998721074 706148333 /nfs/dbraw/zinc/14/83/33/706148333.db2.gz KZMLNKKTLMIBTH-HKUYNNGSSA-N 2 0 344.503 1.927 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998721577 706157069 /nfs/dbraw/zinc/15/70/69/706157069.db2.gz MWCHDAVJRSYFRP-YPMHNXCESA-N 2 0 342.896 1.971 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998730776 706163242 /nfs/dbraw/zinc/16/32/42/706163242.db2.gz KTFPLASYYXSFJA-HUUCEWRRSA-N 2 0 339.871 1.211 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000998780310 706221557 /nfs/dbraw/zinc/22/15/57/706221557.db2.gz NIYJHUMIRFGKKQ-ABHNRTSZSA-N 2 0 346.450 1.642 20 0 EDADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)O1 ZINC000998985265 706403118 /nfs/dbraw/zinc/40/31/18/706403118.db2.gz XEURXKYGZGFKMN-GALLPEHLSA-N 2 0 345.434 1.330 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000998994883 706412200 /nfs/dbraw/zinc/41/22/00/706412200.db2.gz LZFGIRDRIPWEJR-VMBOVVBDSA-N 2 0 334.464 1.855 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)nn1C ZINC000998995802 706413392 /nfs/dbraw/zinc/41/33/92/706413392.db2.gz VFSHOHDQXODPOI-BDVYOWHSSA-N 2 0 333.480 1.292 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999144142 706557588 /nfs/dbraw/zinc/55/75/88/706557588.db2.gz JLLHLAUQHQVBCS-ROUUACIJSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)CCc3c[nH]cn3)C2)s1 ZINC000999320496 706820555 /nfs/dbraw/zinc/82/05/55/706820555.db2.gz ZQPBHUKUCHWGRZ-CQSZACIVSA-N 2 0 333.461 1.888 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999355260 706844807 /nfs/dbraw/zinc/84/48/07/706844807.db2.gz TZHLYWJCGVPNNM-ROUUACIJSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1csc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000999343864 706855310 /nfs/dbraw/zinc/85/53/10/706855310.db2.gz RWMUHFJURLWHJJ-UHFFFAOYSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999344891 706856272 /nfs/dbraw/zinc/85/62/72/706856272.db2.gz WBUJJAGPBIDCPO-UHFFFAOYSA-N 2 0 336.505 1.872 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999347840 706859745 /nfs/dbraw/zinc/85/97/45/706859745.db2.gz LMNKLQHYLKNTAI-OAHLLOKOSA-N 2 0 334.464 1.802 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)ncn1 ZINC000999377912 706872079 /nfs/dbraw/zinc/87/20/79/706872079.db2.gz XGRCXGTVHSJVEE-NVXWUHKLSA-N 2 0 331.464 1.206 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccns2)C1 ZINC000999405770 706914928 /nfs/dbraw/zinc/91/49/28/706914928.db2.gz HWNLFASEAZCENH-WLYUNCDWSA-N 2 0 336.505 1.749 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)cn1 ZINC000999421936 706927450 /nfs/dbraw/zinc/92/74/50/706927450.db2.gz KLJFHLXBOHOJBN-WBVHZDCISA-N 2 0 333.480 1.452 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999424518 706930815 /nfs/dbraw/zinc/93/08/15/706930815.db2.gz QYXCFSDKJBOBLY-WBVHZDCISA-N 2 0 333.480 1.452 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC000999507766 707005293 /nfs/dbraw/zinc/00/52/93/707005293.db2.gz DXGVEDRPNCYNGG-IAGOWNOFSA-N 2 0 346.475 1.655 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999490090 707026333 /nfs/dbraw/zinc/02/63/33/707026333.db2.gz OOUAAHHGQWLUDU-IAGOWNOFSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)C12CCC[NH+]1CCC2 ZINC000999601294 707103322 /nfs/dbraw/zinc/10/33/22/707103322.db2.gz HFCSYYJIJPKPMJ-KRWDZBQOSA-N 2 0 346.450 1.930 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)n1 ZINC000999602339 707103842 /nfs/dbraw/zinc/10/38/42/707103842.db2.gz RVBQOYGEDPGAGZ-UHFFFAOYSA-N 2 0 347.507 1.714 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999687768 707241746 /nfs/dbraw/zinc/24/17/46/707241746.db2.gz JNOXXUACWCTIET-ODIFPOPNSA-N 2 0 331.464 1.206 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccon3)C[C@H]2CC1 ZINC000946780127 707247463 /nfs/dbraw/zinc/24/74/63/707247463.db2.gz ZTZKGZZKXWWDLN-XLMAVXFVSA-N 2 0 346.475 1.543 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)nn1 ZINC000999709736 707302729 /nfs/dbraw/zinc/30/27/29/707302729.db2.gz POKMXNCYHDLTBY-UHFFFAOYSA-N 2 0 346.479 1.034 20 0 EDADRP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033276741 707341008 /nfs/dbraw/zinc/34/10/08/707341008.db2.gz GCGOOUYEXKCJIX-VZDIDWBNSA-N 2 0 333.476 1.349 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)Cc2[nH]cnc2C)C1 ZINC000999746699 707346669 /nfs/dbraw/zinc/34/66/69/707346669.db2.gz JVCTXODYOFIFMP-UHFFFAOYSA-N 2 0 330.436 1.256 20 0 EDADRP Cc1nc[nH]c1CC(=O)N(C)C1CC([NH2+]Cc2ncnn2C(C)C)C1 ZINC000999746549 707346706 /nfs/dbraw/zinc/34/67/06/707346706.db2.gz IEMVBEORANGEHK-UHFFFAOYSA-N 2 0 345.451 1.212 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297449 707413397 /nfs/dbraw/zinc/41/33/97/707413397.db2.gz MWXVLZOLCCGYON-NVXWUHKLSA-N 2 0 333.476 1.318 20 0 EDADRP Cc1nocc1CN1CC[C@H](N(C)C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC001033295741 707422337 /nfs/dbraw/zinc/42/23/37/707422337.db2.gz MQQYQRFBHSHUHY-ZWKOTPCHSA-N 2 0 346.475 1.890 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999832199 707462645 /nfs/dbraw/zinc/46/26/45/707462645.db2.gz AEDRLKZSMNEFKN-UHFFFAOYSA-N 2 0 331.464 1.004 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999832306 707463277 /nfs/dbraw/zinc/46/32/77/707463277.db2.gz CYEQCWZVNBZVDP-UHFFFAOYSA-N 2 0 334.464 1.720 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncnn2C(C)(C)C)C1 ZINC000999833620 707463986 /nfs/dbraw/zinc/46/39/86/707463986.db2.gz AMVQTQZTDCOZNL-WLYUNCDWSA-N 2 0 348.495 1.064 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999876836 707525341 /nfs/dbraw/zinc/52/53/41/707525341.db2.gz ULRCNRJBCNKZIG-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)CC[C@@H]2C1 ZINC000946809153 707527280 /nfs/dbraw/zinc/52/72/80/707527280.db2.gz XBXPOJNYMQENMP-RYQLBKOJSA-N 2 0 337.508 1.270 20 0 EDADRP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004879954 707553700 /nfs/dbraw/zinc/55/37/00/707553700.db2.gz TWWYXHKXIKRNRT-YJBOKZPZSA-N 2 0 347.507 1.764 20 0 EDADRP C[NH+]1CCC(C(=O)N2CC[C@H]3C[N@@H+](CCCF)C[C@H]3CC2)CC1 ZINC000946758192 707571521 /nfs/dbraw/zinc/57/15/21/707571521.db2.gz CUSIWTYTAXLAKZ-CALCHBBNSA-N 2 0 325.472 1.858 20 0 EDADRP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946818125 707574412 /nfs/dbraw/zinc/57/44/12/707574412.db2.gz FEMXQBGKTMPAML-HCXYKTFWSA-N 2 0 349.519 1.556 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1)C1CCC1 ZINC001033396105 707734364 /nfs/dbraw/zinc/73/43/64/707734364.db2.gz LSZAKDGDPKWECW-ROUUACIJSA-N 2 0 337.508 1.676 20 0 EDADRP C[C@@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974829 707805680 /nfs/dbraw/zinc/80/56/80/707805680.db2.gz BHFZVFGTRVVJCH-HZPDHXFCSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033420018 707830100 /nfs/dbraw/zinc/83/01/00/707830100.db2.gz FJQFTOQCBNUYGR-SFHVURJKSA-N 2 0 333.476 1.319 20 0 EDADRP C[C@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984558 707832317 /nfs/dbraw/zinc/83/23/17/707832317.db2.gz WXONDVGIXBTNRG-ZFWWWQNUSA-N 2 0 349.504 1.493 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033422030 707835706 /nfs/dbraw/zinc/83/57/06/707835706.db2.gz FAVSMWMGGVUBDP-AEFFLSMTSA-N 2 0 347.507 1.517 20 0 EDADRP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)cn1 ZINC001004988609 707845311 /nfs/dbraw/zinc/84/53/11/707845311.db2.gz CISAMFLGWSQIRO-QAPCUYQASA-N 2 0 345.491 1.740 20 0 EDADRP C[C@H]([NH2+]Cc1nccs1)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009781 707927357 /nfs/dbraw/zinc/92/73/57/707927357.db2.gz OHPLMEIZOVRECJ-UONOGXRCSA-N 2 0 333.461 1.899 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CCN2Cc1ncccn1)[NH+](C)C ZINC001049723204 707965898 /nfs/dbraw/zinc/96/58/98/707965898.db2.gz BBWYYENNEBQCTK-HRCADAONSA-N 2 0 331.464 1.382 20 0 EDADRP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000921768815 708007585 /nfs/dbraw/zinc/00/75/85/708007585.db2.gz CBSHOJKHHJINEX-CQSZACIVSA-N 2 0 336.432 1.173 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCc1cnn(C)c1 ZINC001032802716 708089344 /nfs/dbraw/zinc/08/93/44/708089344.db2.gz LDSSXVDDXVQFFA-OKZBNKHCSA-N 2 0 345.491 1.122 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2C[NH+](C)C)C1 ZINC001033686712 708501763 /nfs/dbraw/zinc/50/17/63/708501763.db2.gz SDCHSJKFYHDTIT-RDJZCZTQSA-N 2 0 333.476 1.929 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001002122334 708636735 /nfs/dbraw/zinc/63/67/35/708636735.db2.gz CJGDFRNKKLVYIC-GOSISDBHSA-N 2 0 345.487 1.845 20 0 EDADRP CC[C@@H](F)C[NH+]1CCC(CNC(=O)[C@H]2CN(CC)CCO2)CC1 ZINC001002138221 708675256 /nfs/dbraw/zinc/67/52/56/708675256.db2.gz JAEUAHZXQPJCFY-HZPDHXFCSA-N 2 0 329.460 1.283 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH+](C/C=C/Cl)CC1 ZINC001005424565 708942847 /nfs/dbraw/zinc/94/28/47/708942847.db2.gz LDIKOLFTUDAVDD-JLSIVADVSA-N 2 0 341.883 1.525 20 0 EDADRP CCN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033884012 708985950 /nfs/dbraw/zinc/98/59/50/708985950.db2.gz WGNWHOFQEBYFSH-DOTOQJQBSA-N 2 0 342.443 1.907 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033895701 709013315 /nfs/dbraw/zinc/01/33/15/709013315.db2.gz BMXWWNALIZMFFE-INIZCTEOSA-N 2 0 343.431 1.186 20 0 EDADRP CCO[C@H](CNC(=O)NCC1(C[NH+](C)C)CCCC1)C[NH+](C)C ZINC000921965189 709268692 /nfs/dbraw/zinc/26/86/92/709268692.db2.gz LGZYLMLHDRMHJW-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001034042529 709292541 /nfs/dbraw/zinc/29/25/41/709292541.db2.gz PNXZLJWCVLDLEG-JKSUJKDBSA-N 2 0 349.479 1.185 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCOC)C1 ZINC001034044877 709297052 /nfs/dbraw/zinc/29/70/52/709297052.db2.gz FLPIYEWKIHBYRR-SFHVURJKSA-N 2 0 333.476 1.931 20 0 EDADRP Cc1cc(NC[C@@H]2C[N@H+](C)CCN2Cc2ccccc2)nc(N)[nH+]1 ZINC000702213666 709394454 /nfs/dbraw/zinc/39/44/54/709394454.db2.gz FFUWXJARPCYWHO-MRXNPFEDSA-N 2 0 326.448 1.595 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001002832121 709443131 /nfs/dbraw/zinc/44/31/31/709443131.db2.gz JZUPJXOKDJPAAV-QZTJIDSGSA-N 2 0 349.519 1.724 20 0 EDADRP CC1(C)CC(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC001002874467 709481045 /nfs/dbraw/zinc/48/10/45/709481045.db2.gz IKBOKQYADRSSNU-ZWKOTPCHSA-N 2 0 349.519 1.866 20 0 EDADRP CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000702811764 709857410 /nfs/dbraw/zinc/85/74/10/709857410.db2.gz HGPZJOJDXGUSIA-WCVJEAGWSA-N 2 0 339.480 1.431 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001034363320 709881179 /nfs/dbraw/zinc/88/11/79/709881179.db2.gz NLKJZSRZOUVFKV-SZMVWBNQSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)C34CCC[NH+](CCC3)C4)CC2)cn1 ZINC001003126934 710001952 /nfs/dbraw/zinc/00/19/52/710001952.db2.gz DXNHIBCKDGCRJI-UHFFFAOYSA-N 2 0 345.491 1.377 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003158263 710065873 /nfs/dbraw/zinc/06/58/73/710065873.db2.gz FSTJFFUSWGWXHE-INIZCTEOSA-N 2 0 349.479 1.376 20 0 EDADRP Cc1cccnc1C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034486378 710132864 /nfs/dbraw/zinc/13/28/64/710132864.db2.gz JAMOPRGUKSVTKV-QGZVFWFLSA-N 2 0 342.487 1.957 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)c1ccn2c[nH+]cc2c1 ZINC001003251707 710175062 /nfs/dbraw/zinc/17/50/62/710175062.db2.gz ACKUZFNSFNILLM-OAHLLOKOSA-N 2 0 342.443 1.955 20 0 EDADRP CCc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034525452 710175572 /nfs/dbraw/zinc/17/55/72/710175572.db2.gz NAAZUUMOAJEMGH-HOCLYGCPSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCCC[C@@H](NC(=O)[C@@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034525841 710176723 /nfs/dbraw/zinc/17/67/23/710176723.db2.gz QHIISEMGUWUPAX-HZPDHXFCSA-N 2 0 334.464 1.714 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001034527712 710181283 /nfs/dbraw/zinc/18/12/83/710181283.db2.gz GFRYRQDTJBHVRL-MRXNPFEDSA-N 2 0 333.480 1.029 20 0 EDADRP CCN1CCO[C@@H](C(=O)N[C@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001034534521 710205840 /nfs/dbraw/zinc/20/58/40/710205840.db2.gz LYYYRJKDFKXNFJ-RBUKOAKNSA-N 2 0 345.487 1.878 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538902 710212183 /nfs/dbraw/zinc/21/21/83/710212183.db2.gz VUEQNTVIMAPROF-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)no1 ZINC001034648035 710324530 /nfs/dbraw/zinc/32/45/30/710324530.db2.gz VLRYWPCIDKBIRL-KCYZZUKISA-N 2 0 334.464 1.840 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001034663051 710332456 /nfs/dbraw/zinc/33/24/56/710332456.db2.gz OZDKDEJZFLTIGF-OVWQWFNUSA-N 2 0 337.508 1.791 20 0 EDADRP Cc1cccnc1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003624055 710453720 /nfs/dbraw/zinc/45/37/20/710453720.db2.gz JZPHRMZPKFYDSY-MRXNPFEDSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC001003626608 710455894 /nfs/dbraw/zinc/45/58/94/710455894.db2.gz SIGIOEXIEDKDCL-CYBMUJFWSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@H](O)C[NH+]1CCC(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628502 710458597 /nfs/dbraw/zinc/45/85/97/710458597.db2.gz RBDGSIAXVPEWAS-SUMWQHHRSA-N 2 0 329.460 1.160 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628677 710458651 /nfs/dbraw/zinc/45/86/51/710458651.db2.gz SRXWFPUAFQSQFW-KSSFIOAISA-N 2 0 343.487 1.814 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001003635371 710462826 /nfs/dbraw/zinc/46/28/26/710462826.db2.gz PDIUAGMJFOHHJZ-WBMJQRKESA-N 2 0 334.464 1.570 20 0 EDADRP CON(C)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000922246414 710507381 /nfs/dbraw/zinc/50/73/81/710507381.db2.gz CUMNZPWJZFZXLD-UHFFFAOYSA-N 2 0 331.363 1.653 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003737129 710518651 /nfs/dbraw/zinc/51/86/51/710518651.db2.gz GMYNDMHRWCROBQ-RDJZCZTQSA-N 2 0 325.497 1.865 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034673560 710611314 /nfs/dbraw/zinc/61/13/14/710611314.db2.gz CTNWBXBQIGLXHK-YDHLFZDLSA-N 2 0 337.493 1.539 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC001034673514 710611364 /nfs/dbraw/zinc/61/13/64/710611364.db2.gz CABIUIHPYFGYTC-BZUAXINKSA-N 2 0 334.464 1.984 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034673667 710611869 /nfs/dbraw/zinc/61/18/69/710611869.db2.gz FIWPZDLWTKRZRQ-KZNAEPCWSA-N 2 0 347.507 1.730 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1)C12CCC[NH+]1CCC2 ZINC001034682693 710686361 /nfs/dbraw/zinc/68/63/61/710686361.db2.gz SYQKOOICYXYPKN-HDJSIYSDSA-N 2 0 349.504 1.684 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)CC[N@@H+]1C ZINC001034714951 710850377 /nfs/dbraw/zinc/85/03/77/710850377.db2.gz HYVWDJZGEDSSTQ-XSLAGTTESA-N 2 0 347.507 1.630 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1)c1ncccn1 ZINC001034721624 710873282 /nfs/dbraw/zinc/87/32/82/710873282.db2.gz OZXASIAXBAVLAY-XIRDDKMYSA-N 2 0 345.491 1.896 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC001034734085 710915666 /nfs/dbraw/zinc/91/56/66/710915666.db2.gz KDWZGVSAIGKFMW-OCVGTWLNSA-N 2 0 348.495 1.533 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)cc1 ZINC001034736644 710924291 /nfs/dbraw/zinc/92/42/91/710924291.db2.gz ZEEBLGRXTBLNCF-IYARVYRRSA-N 2 0 333.476 1.414 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001034749534 710956911 /nfs/dbraw/zinc/95/69/11/710956911.db2.gz LJFGBDFNZVARHZ-QAETUUGQSA-N 2 0 325.497 1.649 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034791247 711104147 /nfs/dbraw/zinc/10/41/47/711104147.db2.gz HYDXXXHNEASLSQ-SZMVWBNQSA-N 2 0 330.476 1.859 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034795620 711114214 /nfs/dbraw/zinc/11/42/14/711114214.db2.gz MFAWIUAVHQGQBG-ZOBUZTSGSA-N 2 0 348.495 1.207 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC001034795982 711115781 /nfs/dbraw/zinc/11/57/81/711115781.db2.gz APEZFRYTZLFBJE-SDADXPQNSA-N 2 0 348.495 1.503 20 0 EDADRP CC(C)n1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC001034791797 711117062 /nfs/dbraw/zinc/11/70/62/711117062.db2.gz RUSWSZJTIWKZOL-BZUAXINKSA-N 2 0 348.495 1.328 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001034942594 711395722 /nfs/dbraw/zinc/39/57/22/711395722.db2.gz ZNOUHSRFERBKJV-HZPDHXFCSA-N 2 0 341.446 1.954 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C1CC1)[NH+](C)C ZINC001034958844 711432898 /nfs/dbraw/zinc/43/28/98/711432898.db2.gz MLEUGCYKTTYJEZ-SJORKVTESA-N 2 0 346.475 1.511 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3c(cn1)OCCO3)C2 ZINC000922391073 711455168 /nfs/dbraw/zinc/45/51/68/711455168.db2.gz RLNGAYNGHBWZSB-RGCFKVTRSA-N 2 0 347.459 1.422 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CCN(Cc2cc3n(n2)CCC3)CC1 ZINC001004149747 711564337 /nfs/dbraw/zinc/56/43/37/711564337.db2.gz LKHOURNOJLNTRW-UHFFFAOYSA-N 2 0 331.464 1.006 20 0 EDADRP CC[C@H](C[N@H+]1C[C@@H]2CCN(C(=O)CCc3c[nH]cn3)CC[C@@H]2C1)OC ZINC000946617302 711869360 /nfs/dbraw/zinc/86/93/60/711869360.db2.gz AZUJVWVGKGYBTL-SOLBZPMBSA-N 2 0 348.491 1.938 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[NH+]12)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946642643 712128623 /nfs/dbraw/zinc/12/86/23/712128623.db2.gz OJKRWDFDTYTDOX-ZSYWTGECSA-N 2 0 349.519 1.556 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCn4ccnc4C3)CC[C@@H]2C1 ZINC000946645304 712134561 /nfs/dbraw/zinc/13/45/61/712134561.db2.gz QUGZGZAQFHHACU-YESZJQIVSA-N 2 0 346.475 1.262 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829326 282175600 /nfs/dbraw/zinc/17/56/00/282175600.db2.gz FSLQJKOFUWFDSM-QZTJIDSGSA-N 2 0 332.492 1.848 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2C[C@H](C)O)CC1 ZINC000560498169 306271879 /nfs/dbraw/zinc/27/18/79/306271879.db2.gz OEXNTZZGFZXTMJ-FUHWJXTLSA-N 2 0 339.524 1.991 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC1 ZINC000178805224 232502189 /nfs/dbraw/zinc/50/21/89/232502189.db2.gz OPGJHPBXZLXESC-INIZCTEOSA-N 2 0 345.491 1.180 20 0 EDADRP COC1(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC[NH2+]CC1 ZINC000178877362 232563886 /nfs/dbraw/zinc/56/38/86/232563886.db2.gz QWMVFJCGSIBSGK-UHFFFAOYSA-N 2 0 346.475 1.536 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433343814 539558402 /nfs/dbraw/zinc/55/84/02/539558402.db2.gz PJCUJUHNYVVQFM-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH+](C)CCN2C)C1 ZINC000332818834 539605262 /nfs/dbraw/zinc/60/52/62/539605262.db2.gz ADHXWDDCPIXJEE-HOTGVXAUSA-N 2 0 339.528 1.042 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333946227 539662042 /nfs/dbraw/zinc/66/20/42/539662042.db2.gz UKAGNBMGDSPSLP-CABCVRRESA-N 2 0 340.537 1.788 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000342972922 539767902 /nfs/dbraw/zinc/76/79/02/539767902.db2.gz ADAKSSNILLLRIA-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000343015021 539776387 /nfs/dbraw/zinc/77/63/87/539776387.db2.gz PHGYXVKYTHGLFQ-JYJNAYRXSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCO[C@@H](C(F)(F)F)C3)C2)CC1 ZINC000367910907 282703753 /nfs/dbraw/zinc/70/37/53/282703753.db2.gz LZHZHIFTJLQFHI-VNHYZAJKSA-N 2 0 335.414 1.854 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000353356156 539932930 /nfs/dbraw/zinc/93/29/30/539932930.db2.gz RJEZUPRTHSJYHO-ZDUSSCGKSA-N 2 0 348.413 1.970 20 0 EDADRP CS(=O)(=O)c1cccc(OCC[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443070787 305234568 /nfs/dbraw/zinc/23/45/68/305234568.db2.gz LOZSASKQYRODNV-CQSZACIVSA-N 2 0 326.462 1.530 20 0 EDADRP C[N@H+](CCCC[NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C1CC1 ZINC000563000941 306315429 /nfs/dbraw/zinc/31/54/29/306315429.db2.gz NOOMVKOCXFEPBF-HNNXBMFYSA-N 2 0 345.443 1.108 20 0 EDADRP CCC[N@H+](C)CC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412779254 304036900 /nfs/dbraw/zinc/03/69/00/304036900.db2.gz MEVJQWPHVCZJAY-UHFFFAOYSA-N 2 0 333.476 1.472 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000495155154 540052963 /nfs/dbraw/zinc/05/29/63/540052963.db2.gz YTKZUNZMMAYXMO-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP CCc1cc(N(CCC[NH+](C)C)CCC[NH+](C)C)n2ncnc2n1 ZINC000022332566 540072762 /nfs/dbraw/zinc/07/27/62/540072762.db2.gz TVYKUZOUPPFPMU-UHFFFAOYSA-N 2 0 333.484 1.397 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@]2(C1)OCc1ccccc12 ZINC000563352323 306329108 /nfs/dbraw/zinc/32/91/08/306329108.db2.gz IOKUPSLIWQRUFL-IEBWSBKVSA-N 2 0 334.460 1.447 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000563446100 306333771 /nfs/dbraw/zinc/33/37/71/306333771.db2.gz VDMGTHHAKFQKFU-UHFFFAOYSA-N 2 0 344.459 1.214 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCn2cnc3ccccc3c2=O)CC1 ZINC000563535554 306337902 /nfs/dbraw/zinc/33/79/02/306337902.db2.gz AMVBRSSKKMVBMS-AEFFLSMTSA-N 2 0 342.443 1.225 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539402 306338133 /nfs/dbraw/zinc/33/81/33/306338133.db2.gz QADKSVGXXDSBRN-QUCCMNQESA-N 3 0 348.510 1.968 20 0 EDADRP COCC[C@H](C)NC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000124132484 138324086 /nfs/dbraw/zinc/32/40/86/138324086.db2.gz ZRNVPEYWTXITQF-PMRDEQMMSA-N 2 0 338.496 1.364 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH2+]CC1 ZINC000563607920 306341584 /nfs/dbraw/zinc/34/15/84/306341584.db2.gz NMQYZFPGALHZIJ-UHFFFAOYSA-N 2 0 347.463 1.274 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000377389474 295939070 /nfs/dbraw/zinc/93/90/70/295939070.db2.gz HDECVILDGSPMJR-IMJJTQAJSA-N 2 0 329.448 1.350 20 0 EDADRP [NH3+]CC1(O)CC[NH+](Cc2cncc(OCc3ccccc3)c2)CC1 ZINC000563876637 306351106 /nfs/dbraw/zinc/35/11/06/306351106.db2.gz LGOHYMSDBQDSEC-UHFFFAOYSA-N 2 0 327.428 1.946 20 0 EDADRP C[C@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C[NH+]1CCCC1 ZINC000187630013 236264964 /nfs/dbraw/zinc/26/49/64/236264964.db2.gz ZTECGWAUJFJZMN-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000564318540 306358188 /nfs/dbraw/zinc/35/81/88/306358188.db2.gz MRJBLPMPBXHTMO-ROUUACIJSA-N 2 0 330.476 1.846 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000564873058 306368122 /nfs/dbraw/zinc/36/81/22/306368122.db2.gz JDQJBFSUBGUTBL-SLFFLAALSA-N 2 0 331.504 1.596 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000564935643 306370244 /nfs/dbraw/zinc/37/02/44/306370244.db2.gz AVKOBLUZLSSBIF-GOSISDBHSA-N 2 0 330.476 1.986 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)cc2C1 ZINC000333312112 283601434 /nfs/dbraw/zinc/60/14/34/283601434.db2.gz LULRBVLBYSHGCK-NVXWUHKLSA-N 2 0 343.475 1.990 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+]CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000565352669 306381993 /nfs/dbraw/zinc/38/19/93/306381993.db2.gz MFPCLCWNPGXOAJ-CQSZACIVSA-N 2 0 349.454 1.253 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCC2=O)cc1 ZINC000565460041 306384143 /nfs/dbraw/zinc/38/41/43/306384143.db2.gz JSQQMVSNXLCNIZ-UHFFFAOYSA-N 2 0 347.463 1.380 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000414175276 304104337 /nfs/dbraw/zinc/10/43/37/304104337.db2.gz HHACVRSDTJNBBP-NXHRZFHOSA-N 2 0 329.448 1.139 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000565751866 306390750 /nfs/dbraw/zinc/39/07/50/306390750.db2.gz DQUSCMIKUBPPGP-PXNSSMCTSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000565947167 306395161 /nfs/dbraw/zinc/39/51/61/306395161.db2.gz JATKEKFVMNJZKJ-JKSUJKDBSA-N 2 0 347.463 1.070 20 0 EDADRP Cc1c(-c2cc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)on2)cnn1C ZINC000566245691 306405976 /nfs/dbraw/zinc/40/59/76/306405976.db2.gz PUTZXKPMSGFULK-AEFFLSMTSA-N 2 0 345.447 1.712 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699104 304129465 /nfs/dbraw/zinc/12/94/65/304129465.db2.gz RRGDXXLPJPCXFM-GDBMZVCRSA-N 2 0 345.443 1.750 20 0 EDADRP CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703715 304130305 /nfs/dbraw/zinc/13/03/05/304130305.db2.gz MROMHLKLKKUAGS-RBUKOAKNSA-N 2 0 347.503 1.703 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](CN(Cc2cc[nH]n2)Cc2ccccc2)C1 ZINC000414705849 304130381 /nfs/dbraw/zinc/13/03/81/304130381.db2.gz XOJWOEXMZVEJAF-KRWDZBQOSA-N 2 0 341.459 1.609 20 0 EDADRP CCOc1ccnc(N2CCC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)CC2)n1 ZINC000414709055 304130896 /nfs/dbraw/zinc/13/08/96/304130896.db2.gz OMNPJISPWFRHDA-HZPDHXFCSA-N 2 0 333.480 1.776 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH2+]CC)C1 ZINC000414731166 304133970 /nfs/dbraw/zinc/13/39/70/304133970.db2.gz AFCMXTCUOKUGJK-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000414789351 304140690 /nfs/dbraw/zinc/14/06/90/304140690.db2.gz OEKFYZVNULQZMH-MSOLQXFVSA-N 2 0 327.432 1.596 20 0 EDADRP CC(C)c1ccc([C@@H](N)C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414841605 304146874 /nfs/dbraw/zinc/14/68/74/304146874.db2.gz YIVMBUGONLUPEV-QAPCUYQASA-N 3 0 332.492 1.597 20 0 EDADRP COCCOc1cc(C)ccc1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415090212 304158667 /nfs/dbraw/zinc/15/86/67/304158667.db2.gz XRAXWNOSIPMXPF-INIZCTEOSA-N 2 0 349.475 1.307 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000415092774 304159116 /nfs/dbraw/zinc/15/91/16/304159116.db2.gz BGZVLTQIJYYYTH-ZIAGYGMSSA-N 2 0 349.479 1.965 20 0 EDADRP CCOCCC1(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCC1 ZINC000415091982 304158787 /nfs/dbraw/zinc/15/87/87/304158787.db2.gz RORGGVOTRFBGOJ-INIZCTEOSA-N 2 0 325.497 1.760 20 0 EDADRP O=C1N[C@@H]2CN(Cc3ccc(F)cc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000415143157 304163946 /nfs/dbraw/zinc/16/39/46/304163946.db2.gz SATGFRXCBLJIEJ-IAGOWNOFSA-N 2 0 332.423 1.546 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000567267764 306445097 /nfs/dbraw/zinc/44/50/97/306445097.db2.gz LKAQFRZULQBZSI-FRQCXROJSA-N 2 0 335.492 1.510 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])cn2)CC1 ZINC000567349262 306448216 /nfs/dbraw/zinc/44/82/16/306448216.db2.gz DPZOKRUCQCPRNP-IRXDYDNUSA-N 2 0 345.491 1.357 20 0 EDADRP CN(C(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1)[C@H]1CCC[N@H+](C)C1 ZINC000237127331 139041402 /nfs/dbraw/zinc/04/14/02/139041402.db2.gz NVAASJUELUMCBX-HNNXBMFYSA-N 2 0 332.448 1.529 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1)Cc1ccccc1 ZINC000237137417 139041863 /nfs/dbraw/zinc/04/18/63/139041863.db2.gz GDIKHLURMSEYMO-RBUKOAKNSA-N 2 0 344.503 1.390 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000237202511 139043977 /nfs/dbraw/zinc/04/39/77/139043977.db2.gz MOADUXOHMAFJFG-HZPDHXFCSA-N 2 0 349.475 1.148 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)[NH+](C)C)c1 ZINC000237306837 139047239 /nfs/dbraw/zinc/04/72/39/139047239.db2.gz ZXMQCURMISGUFQ-IAGOWNOFSA-N 2 0 335.448 1.183 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418679994 284343840 /nfs/dbraw/zinc/34/38/40/284343840.db2.gz FMHPPJLCMAKWIH-RYQLBKOJSA-N 2 0 330.476 1.725 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237796236 139060643 /nfs/dbraw/zinc/06/06/43/139060643.db2.gz LVLUFZDDKGIBRV-GOSISDBHSA-N 2 0 331.460 1.790 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000237898225 139063105 /nfs/dbraw/zinc/06/31/05/139063105.db2.gz DCBMVQKTHGFYQC-RCCFBDPRSA-N 2 0 331.460 1.521 20 0 EDADRP O=C([C@@H]1CC12CC[NH2+]CC2)N1CCN(CCc2ccccc2)CC1 ZINC000237932404 139064164 /nfs/dbraw/zinc/06/41/64/139064164.db2.gz WGODGXQDSAENAB-SFHVURJKSA-N 2 0 327.472 1.763 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000415245521 304178062 /nfs/dbraw/zinc/17/80/62/304178062.db2.gz PECXEGWMBQSAAL-LJQANCHMSA-N 2 0 344.459 1.289 20 0 EDADRP Cc1ccc(OC(F)F)c(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000567684517 306459155 /nfs/dbraw/zinc/45/91/55/306459155.db2.gz KYMOPHVEIOIIQX-OAHLLOKOSA-N 2 0 343.418 1.294 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000245794779 139086319 /nfs/dbraw/zinc/08/63/19/139086319.db2.gz YCNKOSVZDHWSEC-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]C2)c1 ZINC000415318080 304193316 /nfs/dbraw/zinc/19/33/16/304193316.db2.gz QFZUMUWPDWLPNV-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339923247 284595134 /nfs/dbraw/zinc/59/51/34/284595134.db2.gz RSQYGJKDMNDQGE-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH2+]CCCNC(=O)Nc1cccc(N2CC[NH+](CC)CC2)c1 ZINC000568369624 306479809 /nfs/dbraw/zinc/47/98/09/306479809.db2.gz WTUCTRHVNGKLFL-UHFFFAOYSA-N 2 0 333.480 1.950 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415370495 304206684 /nfs/dbraw/zinc/20/66/84/304206684.db2.gz DCOGJBWYGMJTKK-KRWDZBQOSA-N 2 0 344.459 1.132 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCC[NH+](C)C1 ZINC000247337343 139145465 /nfs/dbraw/zinc/14/54/65/139145465.db2.gz YXQJYDDAABELKG-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000568628326 306485814 /nfs/dbraw/zinc/48/58/14/306485814.db2.gz QEVWVSCAKSEBAM-GOSISDBHSA-N 2 0 338.540 1.818 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248164813 139159034 /nfs/dbraw/zinc/15/90/34/139159034.db2.gz STHOMUDGVUZUIL-DLBZAZTESA-N 2 0 344.459 1.558 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@](C)(O)C1 ZINC000248372257 139160835 /nfs/dbraw/zinc/16/08/35/139160835.db2.gz ZSGSRSRQWJKIAG-JXFKEZNVSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000248741515 139173965 /nfs/dbraw/zinc/17/39/65/139173965.db2.gz DOZCPZGKFKSZGM-MVJTYMMSSA-N 2 0 333.476 1.639 20 0 EDADRP C[C@@H]1CCC[C@H](CO)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249363853 139191764 /nfs/dbraw/zinc/19/17/64/139191764.db2.gz UBISBUVKBVUFTN-KBAYOESNSA-N 2 0 333.476 1.641 20 0 EDADRP CCS(=O)(=O)NCCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000151898719 223881940 /nfs/dbraw/zinc/88/19/40/223881940.db2.gz JMSIZIJVPZZXDE-UHFFFAOYSA-N 2 0 345.553 1.904 20 0 EDADRP C[C@H](NC(=O)C[C@H]1COCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261561746 139209112 /nfs/dbraw/zinc/20/91/12/139209112.db2.gz VTDFAEBOGCCZIO-SZMVWBNQSA-N 2 0 331.460 1.392 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)on2)C1 ZINC000261609920 139210725 /nfs/dbraw/zinc/21/07/25/139210725.db2.gz DMXCIUULQGLVLD-HNNXBMFYSA-N 2 0 328.416 1.629 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261645239 139214096 /nfs/dbraw/zinc/21/40/96/139214096.db2.gz IZOIHURTUKIRPM-AEFFLSMTSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@H]1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC[N@@H+]1Cc1ccccc1 ZINC000261658214 139215143 /nfs/dbraw/zinc/21/51/43/139215143.db2.gz FNLVHZUMQNFRLG-JQHSSLGASA-N 2 0 331.460 1.616 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000261700051 139218697 /nfs/dbraw/zinc/21/86/97/139218697.db2.gz ORSTZRFWHYBFBH-FCEWJHQRSA-N 2 0 335.492 1.606 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccccc1 ZINC000261739243 139222037 /nfs/dbraw/zinc/22/20/37/139222037.db2.gz KJXHMDYMKSYPGU-YOEHRIQHSA-N 2 0 333.476 1.986 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000261884270 139233959 /nfs/dbraw/zinc/23/39/59/139233959.db2.gz UMZPGTCDAVIVJD-FUHWJXTLSA-N 2 0 330.476 1.890 20 0 EDADRP COc1cc(C)c(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000262041127 139245986 /nfs/dbraw/zinc/24/59/86/139245986.db2.gz PDOAOOHXSUFNHF-INIZCTEOSA-N 2 0 349.475 1.832 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000415503637 304225286 /nfs/dbraw/zinc/22/52/86/304225286.db2.gz OUKDXGADGANDPC-MRXNPFEDSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)([NH+](C)C)C1 ZINC000262210850 139260386 /nfs/dbraw/zinc/26/03/86/139260386.db2.gz IVFSKNXCBDVYSO-LKCYJCQHSA-N 2 0 347.507 1.350 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+]1CCc2ccccc2C1 ZINC000416150282 251054270 /nfs/dbraw/zinc/05/42/70/251054270.db2.gz JFVQNLCZRADLHJ-LJQANCHMSA-N 2 0 345.487 1.662 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000416873961 251114085 /nfs/dbraw/zinc/11/40/85/251114085.db2.gz OONUMXDTKPECKP-ROUUACIJSA-N 2 0 330.476 1.759 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000416879470 251115858 /nfs/dbraw/zinc/11/58/58/251115858.db2.gz WWPLOUSGYQAQMR-KRWDZBQOSA-N 2 0 332.448 1.152 20 0 EDADRP C[C@@H]1CCN(C(=O)C2(C[NH3+])CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000262316380 139269384 /nfs/dbraw/zinc/26/93/84/139269384.db2.gz QXNCAVZPUHGZGC-QGZVFWFLSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000417012565 251130735 /nfs/dbraw/zinc/13/07/35/251130735.db2.gz XFAOXNOHFAJHHE-OAHLLOKOSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]1 ZINC000417014342 251132731 /nfs/dbraw/zinc/13/27/31/251132731.db2.gz DDPGCTYGWVIHJU-QAPCUYQASA-N 2 0 330.476 1.875 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NC[C@@H]1C[NH2+]CCCO1 ZINC000417015266 251133385 /nfs/dbraw/zinc/13/33/85/251133385.db2.gz FHPQRHLWZCLGIA-SFHVURJKSA-N 2 0 346.475 1.113 20 0 EDADRP CO[C@H]1CCN(C(=O)NCCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000417017884 251134470 /nfs/dbraw/zinc/13/44/70/251134470.db2.gz CEPJVBPCMIXPFL-IRXDYDNUSA-N 2 0 340.512 1.646 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)CC1 ZINC000417024243 251138860 /nfs/dbraw/zinc/13/88/60/251138860.db2.gz WYPHLHHAHPZQEM-MRXNPFEDSA-N 2 0 338.496 1.115 20 0 EDADRP [NH3+][C@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000417386305 251160809 /nfs/dbraw/zinc/16/08/09/251160809.db2.gz SRSYCDLLWRXJEE-MRXNPFEDSA-N 2 0 336.505 1.997 20 0 EDADRP [NH3+][C@@H](CNC(=O)NCC1CC[NH+](Cc2cccs2)CC1)C1CC1 ZINC000417386291 251161273 /nfs/dbraw/zinc/16/12/73/251161273.db2.gz SRSYCDLLWRXJEE-INIZCTEOSA-N 2 0 336.505 1.997 20 0 EDADRP CN(C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000417588513 251200325 /nfs/dbraw/zinc/20/03/25/251200325.db2.gz FJXZGLQHJCZTFX-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000417594177 251202577 /nfs/dbraw/zinc/20/25/77/251202577.db2.gz LTHXLBPTVQLLEA-SFHVURJKSA-N 2 0 346.475 1.698 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417615919 251206858 /nfs/dbraw/zinc/20/68/58/251206858.db2.gz YJJWWLONVAQVEJ-DLBZAZTESA-N 2 0 340.512 1.646 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]([NH2+]C)C2)[C@@H](C)C1 ZINC000417674504 251225048 /nfs/dbraw/zinc/22/50/48/251225048.db2.gz ZOPLCFUICSEPFB-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417835109 251289780 /nfs/dbraw/zinc/28/97/80/251289780.db2.gz KLWGWVARYFOBFU-HOTGVXAUSA-N 2 0 346.475 1.297 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417835108 251290124 /nfs/dbraw/zinc/29/01/24/251290124.db2.gz KLWGWVARYFOBFU-CVEARBPZSA-N 2 0 346.475 1.297 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417836306 251292216 /nfs/dbraw/zinc/29/22/16/251292216.db2.gz LKWRTVIFUTXBJV-WFBYXXMGSA-N 2 0 326.238 1.571 20 0 EDADRP CC[N@H+](CCNC(=O)NCCC1=CC[NH2+]CC1)CCC(F)(F)F ZINC000418078589 251320197 /nfs/dbraw/zinc/32/01/97/251320197.db2.gz OERMMBBKBQFZGK-UHFFFAOYSA-N 2 0 336.402 1.870 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)CCC(F)(F)F ZINC000418077599 251321063 /nfs/dbraw/zinc/32/10/63/251321063.db2.gz MEDAGFLTCSRSIR-STQMWFEESA-N 2 0 336.402 1.654 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418106378 251322373 /nfs/dbraw/zinc/32/23/73/251322373.db2.gz MZQODAOQUZRBFE-NJAFHUGGSA-N 2 0 330.476 1.887 20 0 EDADRP COCC1(CNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000417850207 251297398 /nfs/dbraw/zinc/29/73/98/251297398.db2.gz MGVXAWCADZXDLY-CABCVRRESA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418198444 251354922 /nfs/dbraw/zinc/35/49/22/251354922.db2.gz VHKZGESBBGGUIX-GDBMZVCRSA-N 2 0 349.479 1.339 20 0 EDADRP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418345786 251362310 /nfs/dbraw/zinc/36/23/10/251362310.db2.gz SZOFHOULVYIKRX-FUHWJXTLSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418708054 251390153 /nfs/dbraw/zinc/39/01/53/251390153.db2.gz UCBRCSFIWPRJTN-RYUDHWBXSA-N 2 0 328.407 1.774 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418708096 251390716 /nfs/dbraw/zinc/39/07/16/251390716.db2.gz BYVSSBSUZUFJKA-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418709835 251392312 /nfs/dbraw/zinc/39/23/12/251392312.db2.gz VEFVPZIPYBZOHY-NEPJUHHUSA-N 2 0 328.407 1.774 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C(F)F ZINC000418719171 251397113 /nfs/dbraw/zinc/39/71/13/251397113.db2.gz UQQREZQOWFYYIN-RDBSUJKOSA-N 2 0 326.391 1.353 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418719828 251397607 /nfs/dbraw/zinc/39/76/07/251397607.db2.gz LEDVQIMZTJIXIR-HOTGVXAUSA-N 2 0 339.528 1.171 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]CC1 ZINC000418641272 251382389 /nfs/dbraw/zinc/38/23/89/251382389.db2.gz QBUMUWXQAVLAHY-SHTZXODSSA-N 2 0 326.485 1.067 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])C(C)(C)C)CC2)c1 ZINC000262625284 139291109 /nfs/dbraw/zinc/29/11/09/139291109.db2.gz BGNJTMWQRRRWNQ-GOSISDBHSA-N 2 0 346.519 1.997 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000262625268 139290957 /nfs/dbraw/zinc/29/09/57/139290957.db2.gz BENHFAYAWOWDDN-SJORKVTESA-N 2 0 331.460 1.387 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1CCCC[NH2+]1 ZINC000262653188 139293357 /nfs/dbraw/zinc/29/33/57/139293357.db2.gz SKOWZBYBAQZIMT-SFHVURJKSA-N 2 0 331.460 1.402 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000262699858 139297215 /nfs/dbraw/zinc/29/72/15/139297215.db2.gz HEAUTIOFPCLFRR-MRXNPFEDSA-N 2 0 348.491 1.403 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH2+][C@@H](C)[C@H]3C)CC2)c1 ZINC000262835613 139306897 /nfs/dbraw/zinc/30/68/97/139306897.db2.gz WFNXOWGZKVISJO-ZWKOTPCHSA-N 2 0 344.503 1.716 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422889623 252011681 /nfs/dbraw/zinc/01/16/81/252011681.db2.gz PYRZVRBFXKOZHR-LPHOPBHVSA-N 3 0 346.519 1.991 20 0 EDADRP COc1ccc([C@H](N[C@H](C)CN2CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422863899 252003403 /nfs/dbraw/zinc/00/34/03/252003403.db2.gz SRPWLHREBGKIAD-AHRSYUTCSA-N 2 0 346.519 1.714 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423485151 252055128 /nfs/dbraw/zinc/05/51/28/252055128.db2.gz AMQFLVOXAIWWEE-YDHLFZDLSA-N 2 0 325.478 1.715 20 0 EDADRP C[C@H](NC[C@@H]1C[NH2+]CCCO1)[C@H](c1ccccc1)N1CCOCC1 ZINC000423489197 252055479 /nfs/dbraw/zinc/05/54/79/252055479.db2.gz FOKWTQCAZYJQRV-YTQUADARSA-N 2 0 333.476 1.417 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1 ZINC000422906220 252019179 /nfs/dbraw/zinc/01/91/79/252019179.db2.gz UPMAGPWUWGXNPD-PBHICJAKSA-N 2 0 339.505 1.602 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423786259 252074016 /nfs/dbraw/zinc/07/40/16/252074016.db2.gz BDEOJNVDHQCUNG-GOSISDBHSA-N 2 0 337.508 1.727 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139880 252140693 /nfs/dbraw/zinc/14/06/93/252140693.db2.gz VSOZOKDYPMFXFX-HZPDHXFCSA-N 2 0 348.495 1.587 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424127065 252132528 /nfs/dbraw/zinc/13/25/28/252132528.db2.gz AAADTGWLMZFOJV-WBVHZDCISA-N 2 0 342.447 1.235 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000424129708 252134185 /nfs/dbraw/zinc/13/41/85/252134185.db2.gz GNPIIYSWCBCDRB-CVEARBPZSA-N 2 0 346.479 1.293 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424225977 252170589 /nfs/dbraw/zinc/17/05/89/252170589.db2.gz QVSINKDHKSCFND-WBVHZDCISA-N 2 0 331.464 1.284 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262917172 139312590 /nfs/dbraw/zinc/31/25/90/139312590.db2.gz ZBFSCCYRPSHSCN-ZFWWWQNUSA-N 2 0 332.448 1.450 20 0 EDADRP COC(=O)CC1CC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC000424308695 252194250 /nfs/dbraw/zinc/19/42/50/252194250.db2.gz HAAPQUGKSATHEW-CHPDAQJUSA-N 2 0 346.471 1.801 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262973866 139316333 /nfs/dbraw/zinc/31/63/33/139316333.db2.gz MCPIKKYCSBUUOB-PKOBYXMFSA-N 2 0 337.508 1.997 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)NC2CCN(CC[NH+](C)C)CC2)c1 ZINC000424446213 252234704 /nfs/dbraw/zinc/23/47/04/252234704.db2.gz QXBRZNPYWVNLAF-UHFFFAOYSA-N 2 0 333.480 1.601 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000424472993 252245186 /nfs/dbraw/zinc/24/51/86/252245186.db2.gz GLTHHTMUQORFSC-HNNXBMFYSA-N 2 0 326.485 1.256 20 0 EDADRP COC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000165347452 532972592 /nfs/dbraw/zinc/97/25/92/532972592.db2.gz GWDGESCBOGZRKO-QGZVFWFLSA-N 2 0 331.460 1.536 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CC2)C[C@H](C)C1 ZINC000458372308 285021653 /nfs/dbraw/zinc/02/16/53/285021653.db2.gz QQRZAENPBGHPOZ-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416150363 285020273 /nfs/dbraw/zinc/02/02/73/285020273.db2.gz JQIUARFRDRGKCX-MSOLQXFVSA-N 2 0 333.476 1.906 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246578832 285023165 /nfs/dbraw/zinc/02/31/65/285023165.db2.gz CDCWZCNULFOUIB-BRWVUGGUSA-N 2 0 338.496 1.223 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263282630 139332977 /nfs/dbraw/zinc/33/29/77/139332977.db2.gz JZSSCVXNKINPLZ-IAQYHMDHSA-N 2 0 325.815 1.808 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000263732276 139356298 /nfs/dbraw/zinc/35/62/98/139356298.db2.gz YWBHQRRWJYBXEX-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccc(C)o1 ZINC000263804059 139361659 /nfs/dbraw/zinc/36/16/59/139361659.db2.gz WWSOQNKGWDGCGX-UHFFFAOYSA-N 2 0 340.468 1.239 20 0 EDADRP COc1ccccc1[C@@H]1CN(C(=O)[C@H]2CCCc3nccn32)CCN1 ZINC000488584949 255045506 /nfs/dbraw/zinc/04/55/06/255045506.db2.gz VKFBVBKXRKASAG-JKSUJKDBSA-N 2 0 340.427 1.942 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(C)nc1C ZINC000271932595 285250270 /nfs/dbraw/zinc/25/02/70/285250270.db2.gz LFIHOVVDOBMJTF-MRXNPFEDSA-N 2 0 333.480 1.582 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)/C=C/C1CCOCC1 ZINC000491828979 255150869 /nfs/dbraw/zinc/15/08/69/255150869.db2.gz WCXMVBFYOZEKJT-BQYQJAHWSA-N 2 0 325.497 1.701 20 0 EDADRP CN1CCN(C(=O)/C=C\c2cc3c(c(Cl)c2)OCO3)[C@H](C[NH3+])C1 ZINC000493414095 255207674 /nfs/dbraw/zinc/20/76/74/255207674.db2.gz BKVNYNYHVWUFOP-ZZKXABKFSA-N 2 0 337.807 1.183 20 0 EDADRP CC[C@H]1CN(CCNC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000495136940 255269742 /nfs/dbraw/zinc/26/97/42/255269742.db2.gz KJQQEOZZFRDKJU-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CCOC(=O)N1CCC([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)CC1 ZINC000496242787 255369749 /nfs/dbraw/zinc/36/97/49/255369749.db2.gz HCVAOXAHBSRPJV-BBRMVZONSA-N 2 0 327.469 1.288 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000415800895 304274393 /nfs/dbraw/zinc/27/43/93/304274393.db2.gz DVXRSWGIGBNCAM-GDBMZVCRSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)Cn1cc(Br)cn1 ZINC000155007184 224341381 /nfs/dbraw/zinc/34/13/81/224341381.db2.gz LNIZTSWKADEKRD-OLZOCXBDSA-N 2 0 344.301 1.260 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000155007287 224341483 /nfs/dbraw/zinc/34/14/83/224341483.db2.gz LNIZTSWKADEKRD-CHWSQXEVSA-N 2 0 344.301 1.260 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000264273615 139392216 /nfs/dbraw/zinc/39/22/16/139392216.db2.gz PQCQVIVKQSVFER-HNNXBMFYSA-N 2 0 342.509 1.570 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000415888194 304284362 /nfs/dbraw/zinc/28/43/62/304284362.db2.gz ZFTQYWJFRGFTAX-GOSISDBHSA-N 2 0 346.475 1.547 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)Nc2ccccc2C[NH2+]C)CC1 ZINC000415909454 304284759 /nfs/dbraw/zinc/28/47/59/304284759.db2.gz GDMHFLVRSHVMSZ-INIZCTEOSA-N 2 0 347.507 1.801 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](C)C[NH+]2CCOCC2)c1 ZINC000271182470 140252516 /nfs/dbraw/zinc/25/25/16/140252516.db2.gz YXSULFSFILWBEX-MRXNPFEDSA-N 2 0 333.476 1.723 20 0 EDADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000271452513 140297798 /nfs/dbraw/zinc/29/77/98/140297798.db2.gz UZYMPZPTEWDXCK-WOJBJXKFSA-N 2 0 329.488 1.915 20 0 EDADRP C[C@@H](CCn1cccn1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000272325377 140436966 /nfs/dbraw/zinc/43/69/66/140436966.db2.gz JDYRHCRMDRSLCS-SFHVURJKSA-N 2 0 342.491 1.859 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(C)CCCC[C@H]2O)CC[NH2+]CC1 ZINC000422834453 285665250 /nfs/dbraw/zinc/66/52/50/285665250.db2.gz ZOKBBFOMSSBKNE-UXLLHSPISA-N 2 0 326.481 1.839 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C[C@H]1C ZINC000332875526 141242340 /nfs/dbraw/zinc/24/23/40/141242340.db2.gz OYRHQRXDJWYPMI-DQIHPLBOSA-N 2 0 338.496 1.098 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000333226148 141283960 /nfs/dbraw/zinc/28/39/60/141283960.db2.gz XKAYGYJABVYLKZ-JKSUJKDBSA-N 2 0 345.491 1.961 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000333312110 141297244 /nfs/dbraw/zinc/29/72/44/141297244.db2.gz LUHOJKIHADYMKL-UAGQMJEPSA-N 2 0 343.475 1.988 20 0 EDADRP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NCC1CCCCC1 ZINC000333630165 141347585 /nfs/dbraw/zinc/34/75/85/141347585.db2.gz AUDLCAOWLUHTLF-SJORKVTESA-N 2 0 335.492 1.383 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333801675 141384258 /nfs/dbraw/zinc/38/42/58/141384258.db2.gz HVYLTSOGOBZJMV-DOTOQJQBSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000333802948 141384472 /nfs/dbraw/zinc/38/44/72/141384472.db2.gz OITQJZMUATUWRH-LJIGWXMPSA-N 2 0 348.495 1.243 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000333810112 141385754 /nfs/dbraw/zinc/38/57/54/141385754.db2.gz FKJFSZNHBBEITN-NCOADZHNSA-N 2 0 335.492 1.382 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339318526 142013490 /nfs/dbraw/zinc/01/34/90/142013490.db2.gz SSPIXKLIJJDNAU-XHSDSOJGSA-N 2 0 328.501 1.230 20 0 EDADRP Cc1ccc(CCC[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000339407834 142040288 /nfs/dbraw/zinc/04/02/88/142040288.db2.gz PAMGIXHQGNNLKB-MOPGFXCFSA-N 2 0 344.503 1.903 20 0 EDADRP C[C@@H]1[C@@H](C)C[N@@H+]1CC(=O)N1CCN(Cc2ccc3c(c2)CCO3)CC1 ZINC000339572281 142080711 /nfs/dbraw/zinc/08/07/11/142080711.db2.gz CYHYQSFMNFFDTC-JKSUJKDBSA-N 2 0 343.471 1.606 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339612869 142093431 /nfs/dbraw/zinc/09/34/31/142093431.db2.gz GYGWQTAARQJKHX-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000339613444 142093862 /nfs/dbraw/zinc/09/38/62/142093862.db2.gz FFUBLJPGPASQFT-UHFFFAOYSA-N 2 0 340.512 1.210 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000339923482 142201489 /nfs/dbraw/zinc/20/14/89/142201489.db2.gz OFHSZJUJTLZWDF-HNNXBMFYSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000339947168 142209061 /nfs/dbraw/zinc/20/90/61/142209061.db2.gz NVPBXLQPNGFMPX-YJBOKZPZSA-N 2 0 341.459 1.432 20 0 EDADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nn1C(F)F ZINC000341681243 142613947 /nfs/dbraw/zinc/61/39/47/142613947.db2.gz WBJSEJVAEYOFIR-UHFFFAOYSA-N 2 0 345.438 1.932 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000344747530 143006626 /nfs/dbraw/zinc/00/66/26/143006626.db2.gz MQKRVQVBBFYWCP-NEWSRXKRSA-N 2 0 345.487 1.591 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CCC[N@@H+]1C ZINC000345766638 143130967 /nfs/dbraw/zinc/13/09/67/143130967.db2.gz AKIABTVFKFYUGU-NVXWUHKLSA-N 2 0 333.480 1.638 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[N@H+](C)C1 ZINC000345852269 143139724 /nfs/dbraw/zinc/13/97/24/143139724.db2.gz LFDKFVIYBPELEK-LSDHHAIUSA-N 2 0 326.485 1.221 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC2([NH+](C)C)CCCCC2)[N@H+](C)C1 ZINC000345869583 143141542 /nfs/dbraw/zinc/14/15/42/143141542.db2.gz WPIRZHVHRVNTTI-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347023859 143272929 /nfs/dbraw/zinc/27/29/29/143272929.db2.gz QFBMBKJRYXPXMA-CQSZACIVSA-N 2 0 345.422 1.503 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c(-c2ccccc2)n1 ZINC000347194326 143293419 /nfs/dbraw/zinc/29/34/19/143293419.db2.gz GRNNVSFFXUIQLW-MRXNPFEDSA-N 2 0 341.459 1.374 20 0 EDADRP C[N@H+](CCNC(=O)CCCCN1CCOCC1)C1CCCCC1 ZINC000347336587 143310126 /nfs/dbraw/zinc/31/01/26/143310126.db2.gz OJZNLUQXIVWTGV-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP Cn1nccc1CN1C[C@H](F)C[C@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348080319 143398506 /nfs/dbraw/zinc/39/85/06/143398506.db2.gz HZGLFMURZUAWRU-RYRKJORJSA-N 2 0 337.487 1.749 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH+]3CCCCC3)CC2)C1 ZINC000349932470 143521405 /nfs/dbraw/zinc/52/14/05/143521405.db2.gz JCUXVZAPHLBTMH-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(CC(F)F)CC2)CC1 ZINC000361368980 296584258 /nfs/dbraw/zinc/58/42/58/296584258.db2.gz VUYUBUUYGLVGMD-HOTGVXAUSA-N 2 0 331.451 1.683 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000369782521 155175385 /nfs/dbraw/zinc/17/53/85/155175385.db2.gz NPJVDCJBRICHQO-UHFFFAOYSA-N 2 0 347.507 1.975 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000416842861 304351094 /nfs/dbraw/zinc/35/10/94/304351094.db2.gz NRTVYDBHRGLNRL-RCCFBDPRSA-N 2 0 346.475 1.409 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416963750 304355961 /nfs/dbraw/zinc/35/59/61/304355961.db2.gz BRXVVJADHPJUMK-PBHICJAKSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416973789 304358751 /nfs/dbraw/zinc/35/87/51/304358751.db2.gz VQTVEVVZNAKBKK-GOEBONIOSA-N 2 0 334.464 1.506 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000416975754 304359440 /nfs/dbraw/zinc/35/94/40/304359440.db2.gz ZWTDQTKUHWGYGF-SFHVURJKSA-N 2 0 348.491 1.705 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CCN1C1CC[NH+](C)CC1 ZINC000355111312 150121471 /nfs/dbraw/zinc/12/14/71/150121471.db2.gz NOURNPBAGWZJDO-JKSUJKDBSA-N 2 0 349.523 1.033 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000355333693 150221009 /nfs/dbraw/zinc/22/10/09/150221009.db2.gz CKBHLRMKVYUNOA-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccc(-n4ccnc4)cc3)[C@@H]2C1 ZINC000355337197 150223209 /nfs/dbraw/zinc/22/32/09/150223209.db2.gz FKMUFMDPUPLNFG-QZTJIDSGSA-N 2 0 340.427 1.808 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000355346638 150226654 /nfs/dbraw/zinc/22/66/54/150226654.db2.gz LBYSYMIAABSOGM-INIZCTEOSA-N 2 0 340.443 1.306 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000355400705 150253859 /nfs/dbraw/zinc/25/38/59/150253859.db2.gz UBYXLGHBUANSHA-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP COC[C@@]1(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417032356 304363136 /nfs/dbraw/zinc/36/31/36/304363136.db2.gz FCZMECNFBKASTA-AEFFLSMTSA-N 2 0 340.512 1.566 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000357355197 151006015 /nfs/dbraw/zinc/00/60/15/151006015.db2.gz CIQIHMRQKLCLRQ-MRXNPFEDSA-N 2 0 337.439 1.485 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357960707 151211866 /nfs/dbraw/zinc/21/18/66/151211866.db2.gz RGAKMISTEDBGPD-AWEZNQCLSA-N 2 0 330.542 1.843 20 0 EDADRP O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417090729 304371589 /nfs/dbraw/zinc/37/15/89/304371589.db2.gz YFLUSKPAOQQRNA-GBESFXJTSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCCC[NH+]2CCCCC2)CCSC1 ZINC000360384345 152014797 /nfs/dbraw/zinc/01/47/97/152014797.db2.gz LWLPKROZTVRQDI-MRXNPFEDSA-N 2 0 328.526 1.599 20 0 EDADRP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)C1(C)C ZINC000361237008 152342895 /nfs/dbraw/zinc/34/28/95/152342895.db2.gz HYOZFICEKWDEPV-HRCADAONSA-N 2 0 325.497 1.756 20 0 EDADRP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)C1(C)C ZINC000361237007 152343021 /nfs/dbraw/zinc/34/30/21/152343021.db2.gz HYOZFICEKWDEPV-BZUAXINKSA-N 2 0 325.497 1.756 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417151442 304378381 /nfs/dbraw/zinc/37/83/81/304378381.db2.gz GQASNPOMZLFBRO-SJLPKXTDSA-N 2 0 345.491 1.863 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)c1ccc(F)cc1 ZINC000417157601 304378733 /nfs/dbraw/zinc/37/87/33/304378733.db2.gz AKHBXAAXEZTLRI-YQQAZPJKSA-N 2 0 334.439 1.679 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)[C@@H](C[NH3+])C1 ZINC000417154618 304378761 /nfs/dbraw/zinc/37/87/61/304378761.db2.gz KQHZGEFFGUNFOT-CRAIPNDOSA-N 2 0 345.491 1.815 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000417159542 304378991 /nfs/dbraw/zinc/37/89/91/304378991.db2.gz ORPSUDOPRKRMDM-KRWDZBQOSA-N 2 0 334.508 1.892 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000363560893 153000794 /nfs/dbraw/zinc/00/07/94/153000794.db2.gz TWBYWXZHYMONBE-UHFFFAOYSA-N 2 0 335.496 1.831 20 0 EDADRP C[C@@H](C(=O)N1CCN([C@@H]2CCOC2)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000363940877 153103044 /nfs/dbraw/zinc/10/30/44/153103044.db2.gz QGEYRMNDJHXMBY-QFBILLFUSA-N 2 0 343.471 1.366 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000364208325 153174269 /nfs/dbraw/zinc/17/42/69/153174269.db2.gz RHRRJARLTMUXCM-GOSISDBHSA-N 2 0 338.540 1.449 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]2CCCCC2)cc1 ZINC000262806205 286357330 /nfs/dbraw/zinc/35/73/30/286357330.db2.gz SHABWBNVLUKNAN-ZWKOTPCHSA-N 2 0 349.475 1.702 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CCC[C@@H]3C[NH+](C)CC[C@@H]31)C2 ZINC000364945379 153379270 /nfs/dbraw/zinc/37/92/70/153379270.db2.gz RLKIUSPAJFCADL-BXEXHWSDSA-N 2 0 334.508 1.985 20 0 EDADRP Cc1ccn(C2CC[NH+](CC(=O)NC3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000365163317 153442120 /nfs/dbraw/zinc/44/21/20/153442120.db2.gz SYGACWHSEHLXBL-UHFFFAOYSA-N 2 0 347.507 1.817 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)cs1 ZINC000366419582 153810367 /nfs/dbraw/zinc/81/03/67/153810367.db2.gz SOYKOAYAEDRGCO-STQMWFEESA-N 2 0 334.420 1.350 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(CC[NH3+])Cc2ccccc2)CC1 ZINC000417299188 304390477 /nfs/dbraw/zinc/39/04/77/304390477.db2.gz QZUJIBAIYXJXME-UHFFFAOYSA-N 2 0 334.464 1.268 20 0 EDADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000367673817 154225203 /nfs/dbraw/zinc/22/52/03/154225203.db2.gz SBTFZKJXZPSUCR-KRWDZBQOSA-N 2 0 325.497 1.141 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000417302049 304391512 /nfs/dbraw/zinc/39/15/12/304391512.db2.gz ZUSVGBVVHCGAGU-GOSISDBHSA-N 2 0 346.475 1.268 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000367919389 154325712 /nfs/dbraw/zinc/32/57/12/154325712.db2.gz XNPMTBBYWOQZHQ-UHFFFAOYSA-N 2 0 337.537 1.728 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000368011311 154368441 /nfs/dbraw/zinc/36/84/41/154368441.db2.gz XKMNGRVMJYWDCB-UKRRQHHQSA-N 2 0 325.453 1.180 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000417345136 304393305 /nfs/dbraw/zinc/39/33/05/304393305.db2.gz UAOUGJRQBPAGKF-OXJNMPFZSA-N 2 0 342.487 1.828 20 0 EDADRP O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000369656493 155121517 /nfs/dbraw/zinc/12/15/17/155121517.db2.gz KMZTVMXLPDSGMF-FUMNGEBKSA-N 2 0 330.472 1.980 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC000333237309 286495641 /nfs/dbraw/zinc/49/56/41/286495641.db2.gz DFUSRDYIFFHWGS-CBZIJGRNSA-N 2 0 335.492 1.571 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000417476249 304398725 /nfs/dbraw/zinc/39/87/25/304398725.db2.gz CTFAHWHBCQYFQQ-INIZCTEOSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417480436 304399157 /nfs/dbraw/zinc/39/91/57/304399157.db2.gz MOLITAWXFVLHHR-CRAIPNDOSA-N 2 0 348.491 1.957 20 0 EDADRP COCCN1CCN(C(=O)NCC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[C@@H]1C ZINC000371739401 156084915 /nfs/dbraw/zinc/08/49/15/156084915.db2.gz MBHFAOWCWOACEG-XYTVBORESA-N 2 0 338.496 1.221 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2cc(C)ncc2C)CC1=O ZINC000372164942 156250049 /nfs/dbraw/zinc/25/00/49/156250049.db2.gz NZNQHVQFIYEZCI-HZPDHXFCSA-N 2 0 344.459 1.392 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N2CCOc3cc(OC)ccc3C2)CC1 ZINC000374775401 157395860 /nfs/dbraw/zinc/39/58/60/157395860.db2.gz JONXSRRGOCAWQT-OAHLLOKOSA-N 2 0 347.459 1.442 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378123577 158084853 /nfs/dbraw/zinc/08/48/53/158084853.db2.gz ZLVZADDVLKMCIW-FUHWJXTLSA-N 2 0 347.507 1.828 20 0 EDADRP COCC[C@@]1(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]C1 ZINC000378203443 158108097 /nfs/dbraw/zinc/10/80/97/158108097.db2.gz RIOPEEIMFVDHJE-AEFFLSMTSA-N 2 0 325.497 1.773 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@]1(F)CC[NH2+]C1 ZINC000378206747 158109269 /nfs/dbraw/zinc/10/92/69/158109269.db2.gz QMWQYLHMGIHENI-QGZVFWFLSA-N 2 0 327.444 1.087 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000378207567 158110092 /nfs/dbraw/zinc/11/00/92/158110092.db2.gz SOHUQZJGYXBACF-GUDVDZBRSA-N 2 0 344.503 1.609 20 0 EDADRP C[NH+](C)CCN1C[C@H](C(=O)Nc2ccccc2C[NH+](C)C)CC1=O ZINC000576164507 306679688 /nfs/dbraw/zinc/67/96/88/306679688.db2.gz FVHFOCSDZCBNBC-OAHLLOKOSA-N 2 0 332.448 1.097 20 0 EDADRP CC[C@@H]([NH2+]CCN1CC[NH2+]CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496051413 286907873 /nfs/dbraw/zinc/90/78/73/286907873.db2.gz VKWGULMRSVFVHI-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000352208718 162052063 /nfs/dbraw/zinc/05/20/63/162052063.db2.gz SFKDTKJNTABUIF-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP COC(=O)COc1c(C)cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1C ZINC000357054567 162281515 /nfs/dbraw/zinc/28/15/15/162281515.db2.gz QLDYBOKWUVEGJA-IRXDYDNUSA-N 2 0 332.444 1.897 20 0 EDADRP C[C@@H](NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]C1 ZINC000269185251 287000981 /nfs/dbraw/zinc/00/09/81/287000981.db2.gz JFEZYPDIWITLRC-APWZRJJASA-N 2 0 344.503 1.552 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC1 ZINC000073599636 287261749 /nfs/dbraw/zinc/26/17/49/287261749.db2.gz KRVASWZNDXOPJX-UHFFFAOYSA-N 2 0 344.503 1.358 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000073811102 287265195 /nfs/dbraw/zinc/26/51/95/287265195.db2.gz WWGPRDPKTAFEPA-SJLPKXTDSA-N 2 0 342.528 1.764 20 0 EDADRP CCc1nc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000077824404 287290969 /nfs/dbraw/zinc/29/09/69/287290969.db2.gz ZYOXZEBRQQLHQK-UHFFFAOYSA-N 2 0 327.498 1.340 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CCCC[NH2+]C2)cc1 ZINC000418372922 304487514 /nfs/dbraw/zinc/48/75/14/304487514.db2.gz UJDPFCYAFQKGHU-WBVHZDCISA-N 2 0 334.464 1.739 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC(C)(C)[NH3+] ZINC000418418231 304494234 /nfs/dbraw/zinc/49/42/34/304494234.db2.gz WPUFLLZYQAKJLL-UHFFFAOYSA-N 2 0 328.407 1.775 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1)c1ccccc1 ZINC000274605071 268167390 /nfs/dbraw/zinc/16/73/90/268167390.db2.gz MJVBJNAUTLJRHM-HOJAQTOUSA-N 2 0 345.487 1.953 20 0 EDADRP CC[C@](C)(O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000275421350 268340139 /nfs/dbraw/zinc/34/01/39/268340139.db2.gz FAKOBOYEYHNINK-IBGZPJMESA-N 2 0 335.492 1.910 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275668689 273117910 /nfs/dbraw/zinc/11/79/10/273117910.db2.gz ORKUYOJVCVXIDV-MRXNPFEDSA-N 2 0 333.480 1.158 20 0 EDADRP COC[C@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751274 274049025 /nfs/dbraw/zinc/04/90/25/274049025.db2.gz ABVQKBMBPGLPJU-ROUUACIJSA-N 2 0 333.476 1.373 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1 ZINC000418422290 274083627 /nfs/dbraw/zinc/08/36/27/274083627.db2.gz DMNSTCCYRRZBLE-OKZBNKHCSA-N 2 0 346.475 1.581 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368454528 276063715 /nfs/dbraw/zinc/06/37/15/276063715.db2.gz SQOZZLMMHVMFGR-NJAFHUGGSA-N 2 0 331.460 1.659 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000355332276 276218598 /nfs/dbraw/zinc/21/85/98/276218598.db2.gz BBSVLSLJHDMVPI-WDSOQIARSA-N 2 0 349.519 1.963 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2COc3ccccc3C2)CC[NH2+]CC1 ZINC000422779363 276273799 /nfs/dbraw/zinc/27/37/99/276273799.db2.gz IIDIYZTZMPZSPT-ZBFHGGJFSA-N 2 0 332.444 1.901 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000361855731 276767467 /nfs/dbraw/zinc/76/74/67/276767467.db2.gz JJTKBEZFYRQGDR-UHFFFAOYSA-N 2 0 344.503 1.871 20 0 EDADRP CNC(=O)C[C@@H](C)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000268893835 277001339 /nfs/dbraw/zinc/00/13/39/277001339.db2.gz PKIKITIKJFPKDS-KGLIPLIRSA-N 2 0 336.455 1.753 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H]1CC[C@H](CO)O1)C1CC[NH+](C)CC1 ZINC000353717915 277003098 /nfs/dbraw/zinc/00/30/98/277003098.db2.gz ZLJLHCBVBNDLOA-RTBURBONSA-N 2 0 347.503 1.847 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC000354345874 277065650 /nfs/dbraw/zinc/06/56/50/277065650.db2.gz DQEXWUFQXAJLFV-TWMKSMIVSA-N 2 0 326.481 1.647 20 0 EDADRP COC(=O)[C@@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000247187927 277085571 /nfs/dbraw/zinc/08/55/71/277085571.db2.gz SQJOXAAOJQSMMK-HZPDHXFCSA-N 2 0 340.464 1.393 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@H]2CCC[C@@H]21 ZINC000367638875 277170263 /nfs/dbraw/zinc/17/02/63/277170263.db2.gz RKPKODYERAUXSM-PMPSAXMXSA-N 2 0 329.510 1.120 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000340504076 277171764 /nfs/dbraw/zinc/17/17/64/277171764.db2.gz GOAZLZYOKQKJPG-WOZUAGRISA-N 2 0 343.515 1.868 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108494 277230051 /nfs/dbraw/zinc/23/00/51/277230051.db2.gz RQESZGJUHMDTDF-KRWDZBQOSA-N 2 0 334.464 1.044 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccnc1C ZINC000286504333 288021828 /nfs/dbraw/zinc/02/18/28/288021828.db2.gz RLUMBLXCEPGLAV-SFHVURJKSA-N 2 0 332.492 1.807 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(C)CCCO1 ZINC000340233684 278343869 /nfs/dbraw/zinc/34/38/69/278343869.db2.gz FBPAKAGNVIOYDP-MJGOQNOKSA-N 2 0 347.507 1.926 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000414912990 279134381 /nfs/dbraw/zinc/13/43/81/279134381.db2.gz VLUNNLLXSUUPOM-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194327 279233283 /nfs/dbraw/zinc/23/32/83/279233283.db2.gz AELSRYCWRZNWRN-IEZWGBDMSA-N 2 0 344.503 1.607 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339547858 288129161 /nfs/dbraw/zinc/12/91/61/288129161.db2.gz VOVRBHZETIOGGA-QGPMSJSTSA-N 2 0 334.508 1.842 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000414767056 279677694 /nfs/dbraw/zinc/67/76/94/279677694.db2.gz FNSGRYYTCVTWAP-SJORKVTESA-N 2 0 343.427 1.111 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000359658845 280322632 /nfs/dbraw/zinc/32/26/32/280322632.db2.gz RQZJSBOUAUOYSV-SZMVWBNQSA-N 2 0 337.508 1.865 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000287665818 288289666 /nfs/dbraw/zinc/28/96/66/288289666.db2.gz VNDRSXLAKGFTQH-LSDHHAIUSA-N 2 0 327.428 1.889 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)c2ccccc2)CC1 ZINC000188113496 281835073 /nfs/dbraw/zinc/83/50/73/281835073.db2.gz VUWNAIAYUCPGGW-ZWKOTPCHSA-N 2 0 331.460 1.564 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C(=O)OC)c(C)n2C)CC1 ZINC000291221903 289021119 /nfs/dbraw/zinc/02/11/19/289021119.db2.gz OZKCGHLJRCFQNX-UHFFFAOYSA-N 2 0 336.480 1.237 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000334107034 289036910 /nfs/dbraw/zinc/03/69/10/289036910.db2.gz YSPIRIQWSLWMGY-RHSMWYFYSA-N 2 0 338.496 1.100 20 0 EDADRP Cc1cc(C(=O)NCCC[NH+](C)C)cc(C(=O)NCCC[NH+](C)C)c1 ZINC000291519832 289092546 /nfs/dbraw/zinc/09/25/46/289092546.db2.gz YYVHRTIMVQDGRK-UHFFFAOYSA-N 2 0 348.491 1.358 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158558552 289195900 /nfs/dbraw/zinc/19/59/00/289195900.db2.gz KRXNSRVRWRXMKX-WMZOPIPTSA-N 2 0 332.492 1.289 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000291872541 289202461 /nfs/dbraw/zinc/20/24/61/289202461.db2.gz IMSPHGANCSOMEV-QUCCMNQESA-N 2 0 344.503 1.897 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000332405902 289775148 /nfs/dbraw/zinc/77/51/48/289775148.db2.gz PDOBLFQVTYNJSI-HJWJTTGWSA-N 2 0 338.496 1.276 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000417308813 292971601 /nfs/dbraw/zinc/97/16/01/292971601.db2.gz IESAXHUMROBBDH-MJGOQNOKSA-N 2 0 348.491 1.666 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000332543231 295267990 /nfs/dbraw/zinc/26/79/90/295267990.db2.gz YJQGZASSCOOBCX-IAGOWNOFSA-N 2 0 338.496 1.258 20 0 EDADRP COCC1(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CC[NH2+]CC1 ZINC000418642650 304523480 /nfs/dbraw/zinc/52/34/80/304523480.db2.gz RNZDAJNJAPRSTP-UHFFFAOYSA-N 2 0 342.528 1.763 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)NC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000418817984 304535055 /nfs/dbraw/zinc/53/50/55/304535055.db2.gz MYMQBNRJHBDVAF-JCYILVPMSA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1[NH+](C)C ZINC000333526441 300141504 /nfs/dbraw/zinc/14/15/04/300141504.db2.gz LNAJJKASIUEYNI-LBZRDPAVSA-N 2 0 334.508 1.732 20 0 EDADRP C[C@H]1CN(C[C@H]2CCCN(C(=O)C[NH3+])C2)c2cc(F)ccc2C[NH2+]1 ZINC000333203121 300267390 /nfs/dbraw/zinc/26/73/90/300267390.db2.gz YMSQUCWCONLNQV-KBPBESRZSA-N 2 0 334.439 1.321 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420311784 304748833 /nfs/dbraw/zinc/74/88/33/304748833.db2.gz ROKMFUAJJYSUAJ-MSOLQXFVSA-N 2 0 332.492 1.479 20 0 EDADRP O=C(CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)N1CC[NH2+]CC1 ZINC000420410788 304756506 /nfs/dbraw/zinc/75/65/06/304756506.db2.gz RKHWWNLIQCCXDP-AEFFLSMTSA-N 2 0 331.460 1.566 20 0 EDADRP COCc1cc(Cl)cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420446285 304759276 /nfs/dbraw/zinc/75/92/76/304759276.db2.gz BAPUPKLZMYYJEQ-UHFFFAOYSA-N 2 0 349.884 1.175 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)Cc1ccccc1 ZINC000414751061 447320475 /nfs/dbraw/zinc/32/04/75/447320475.db2.gz ZMHYPZGFEPJEAW-UHFFFAOYSA-N 2 0 340.427 1.332 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295499916 303226985 /nfs/dbraw/zinc/22/69/85/303226985.db2.gz YIXBTTYGTHNBRQ-AWEZNQCLSA-N 2 0 347.459 1.542 20 0 EDADRP COC[C@@]1(C)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000296875095 303344077 /nfs/dbraw/zinc/34/40/77/303344077.db2.gz UUCJWDSUOUMGOE-MJGOQNOKSA-N 2 0 333.476 1.764 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C(F)(F)F ZINC000416035684 303384278 /nfs/dbraw/zinc/38/42/78/303384278.db2.gz WHLBLNAMKULVBC-CHWSQXEVSA-N 2 0 336.402 1.784 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000377739849 447330329 /nfs/dbraw/zinc/33/03/29/447330329.db2.gz BCBXUICKNJEILA-RBUKOAKNSA-N 2 0 345.487 1.879 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1COc2ccccc21 ZINC000332887142 303787550 /nfs/dbraw/zinc/78/75/50/303787550.db2.gz BSBPNNOCQYZVLO-RDTXWAMCSA-N 2 0 343.471 1.884 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[NH2+][C@@H]3C(C)C)CC2)c1 ZINC000377759570 447340723 /nfs/dbraw/zinc/34/07/23/447340723.db2.gz ZWBWPDXJHNAOTJ-DOTOQJQBSA-N 2 0 332.448 1.373 20 0 EDADRP CCOCCNC(=O)CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377764485 447343368 /nfs/dbraw/zinc/34/33/68/447343368.db2.gz RXVYHBQCHKXSKZ-MOPGFXCFSA-N 2 0 345.487 1.593 20 0 EDADRP CCOCCNC(=O)CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377764882 447343945 /nfs/dbraw/zinc/34/39/45/447343945.db2.gz RXVYHBQCHKXSKZ-RBUKOAKNSA-N 2 0 345.487 1.593 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423117863 304887447 /nfs/dbraw/zinc/88/74/47/304887447.db2.gz XPQWCORLAFKMII-ZWKOTPCHSA-N 2 0 333.476 1.564 20 0 EDADRP Cc1cc(Br)cc2c1[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)CC2 ZINC000423424927 304895398 /nfs/dbraw/zinc/89/53/98/304895398.db2.gz LXNWFZJWMDUFKF-BNOWGMLFSA-N 2 0 325.250 1.915 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([N@@H+](C)C[C@@H](C)O)CC2)CC1 ZINC000427891664 305000533 /nfs/dbraw/zinc/00/05/33/305000533.db2.gz GFDSSJQENYKJIC-OAHLLOKOSA-N 2 0 325.497 1.410 20 0 EDADRP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000428247288 305008947 /nfs/dbraw/zinc/00/89/47/305008947.db2.gz UARMVFDYOJDTCI-NEPJUHHUSA-N 2 0 330.270 1.929 20 0 EDADRP O=C(C[N@@H+]1CCOC[C@H](C2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000429007392 305022373 /nfs/dbraw/zinc/02/23/73/305022373.db2.gz JTQKGTRCASSPBQ-MRXNPFEDSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000429777920 305037039 /nfs/dbraw/zinc/03/70/39/305037039.db2.gz XPEPVNQUXFDISA-NZSAHSFTSA-N 2 0 347.503 1.888 20 0 EDADRP COc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430588454 305057402 /nfs/dbraw/zinc/05/74/02/305057402.db2.gz ZGXDMANIRITRHW-OAHLLOKOSA-N 2 0 349.475 1.530 20 0 EDADRP COc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430597878 305057686 /nfs/dbraw/zinc/05/76/86/305057686.db2.gz BEHPDESXEVKOQI-ZDUSSCGKSA-N 2 0 335.448 1.379 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[NH+]1CCC(C[NH3+])CC1 ZINC000430609921 305058707 /nfs/dbraw/zinc/05/87/07/305058707.db2.gz JCZYOQXRUFCFEL-HNNXBMFYSA-N 2 0 348.466 1.534 20 0 EDADRP COc1ccc(CCNC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430633854 305060444 /nfs/dbraw/zinc/06/04/44/305060444.db2.gz CHTGLDCPESDRPM-AWEZNQCLSA-N 2 0 349.475 1.422 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000430701329 305062790 /nfs/dbraw/zinc/06/27/90/305062790.db2.gz DLCCNDNURCZYDE-OALUTQOASA-N 2 0 345.487 1.564 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000430722495 305063354 /nfs/dbraw/zinc/06/33/54/305063354.db2.gz NBQHCDGXKCNKOG-OIISXLGYSA-N 2 0 337.508 1.913 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC[C@@H]1Cc2ccccc2O1 ZINC000431032167 305073238 /nfs/dbraw/zinc/07/32/38/305073238.db2.gz ICHWQBSUTQAXCE-INIZCTEOSA-N 2 0 329.444 1.182 20 0 EDADRP COc1ccc(NC(=O)NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431040532 305073531 /nfs/dbraw/zinc/07/35/31/305073531.db2.gz WWODIBOAQDNSLF-UHFFFAOYSA-N 2 0 346.431 1.419 20 0 EDADRP NC(=O)c1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1Cl ZINC000433131594 305101383 /nfs/dbraw/zinc/10/13/83/305101383.db2.gz VGLZPMWLJSEQCR-UHFFFAOYSA-N 2 0 338.839 1.581 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000433374996 305106718 /nfs/dbraw/zinc/10/67/18/305106718.db2.gz KGYAOMXEPIMSSD-XHSDSOJGSA-N 2 0 348.495 1.300 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433927482 305114848 /nfs/dbraw/zinc/11/48/48/305114848.db2.gz SBAFIFPROFEVAR-DLBZAZTESA-N 2 0 338.496 1.413 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000434455425 305122965 /nfs/dbraw/zinc/12/29/65/305122965.db2.gz ZDDZYRVCBJOSSL-KRWDZBQOSA-N 2 0 330.476 1.704 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000434680305 305127477 /nfs/dbraw/zinc/12/74/77/305127477.db2.gz UZOKGKUANWVDAH-AEFFLSMTSA-N 2 0 342.443 1.055 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435238027 305137680 /nfs/dbraw/zinc/13/76/80/305137680.db2.gz PCRLQFXJLZANRP-IBGZPJMESA-N 2 0 342.487 1.552 20 0 EDADRP CCNC(=O)COc1ccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435437946 305140371 /nfs/dbraw/zinc/14/03/71/305140371.db2.gz NECULQNHIRIWPJ-MRXNPFEDSA-N 2 0 349.475 1.784 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000436481907 305158560 /nfs/dbraw/zinc/15/85/60/305158560.db2.gz FSGYVYYYLUCHRA-OALUTQOASA-N 2 0 346.519 1.678 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC[C@@H]3CCOC3)c2)C1 ZINC000438193831 305182889 /nfs/dbraw/zinc/18/28/89/305182889.db2.gz XPEGJAVCXDFFEY-VQIMIIECSA-N 2 0 345.487 1.900 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCC(=O)N2CCC[C@H]2C)CC1 ZINC000438721489 305188625 /nfs/dbraw/zinc/18/86/25/305188625.db2.gz JKFSIBAWDBYHEW-CVEARBPZSA-N 2 0 325.497 1.412 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000439396408 305197084 /nfs/dbraw/zinc/19/70/84/305197084.db2.gz NUXMCKCBWJLKMV-HNNXBMFYSA-N 2 0 332.448 1.097 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000443068809 305234424 /nfs/dbraw/zinc/23/44/24/305234424.db2.gz IMWKTPXUWXQEMA-MRXNPFEDSA-N 2 0 332.448 1.463 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444348186 305246489 /nfs/dbraw/zinc/24/64/89/305246489.db2.gz BBIKDZYIWLKCRJ-FZKCQIBNSA-N 2 0 325.497 1.551 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CCSC1 ZINC000446289745 305262742 /nfs/dbraw/zinc/26/27/42/305262742.db2.gz SOEMNJGGKXWGKU-MGBSGCIJSA-N 2 0 341.521 1.072 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCC1([NH+](C)C)CCC1)[NH+]1CCN(C)CC1 ZINC000446575232 305267204 /nfs/dbraw/zinc/26/72/04/305267204.db2.gz IRTVTRDMMWKYFK-MRXNPFEDSA-N 2 0 339.528 1.042 20 0 EDADRP COCC[C@]1([NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000447390150 305279905 /nfs/dbraw/zinc/27/99/05/305279905.db2.gz DNBRHVAYPFCNFC-MJGOQNOKSA-N 2 0 349.475 1.191 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000448252475 305294606 /nfs/dbraw/zinc/29/46/06/305294606.db2.gz PEXAPEURBNAHHE-HNNXBMFYSA-N 2 0 328.501 1.326 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414902520 447350681 /nfs/dbraw/zinc/35/06/81/447350681.db2.gz JVDOJHJNANZQAV-OAHLLOKOSA-N 2 0 332.448 1.274 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C(=O)OC)CC2)CC1 ZINC000486933855 305546625 /nfs/dbraw/zinc/54/66/25/305546625.db2.gz JGJPSCIATIGCKR-UHFFFAOYSA-N 2 0 331.460 1.871 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000414909848 447353742 /nfs/dbraw/zinc/35/37/42/447353742.db2.gz CNYIQXJKTOEHOG-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495745749 305647309 /nfs/dbraw/zinc/64/73/09/305647309.db2.gz BPCWLSFDHBCZKV-CYBMUJFWSA-N 2 0 327.469 1.288 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000495869435 305651601 /nfs/dbraw/zinc/65/16/01/305651601.db2.gz OOZZYOPUUZBIEG-OAHLLOKOSA-N 2 0 342.528 1.905 20 0 EDADRP C[C@@H](C(=O)NC[C@@H]1COc2ccccc2O1)[NH+]1CCC(CC[NH3+])CC1 ZINC000515174388 305716283 /nfs/dbraw/zinc/71/62/83/305716283.db2.gz GXBQZPXNCTXEDI-GOEBONIOSA-N 2 0 347.459 1.392 20 0 EDADRP CC(C)COc1cccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c1 ZINC000516762155 305741133 /nfs/dbraw/zinc/74/11/33/305741133.db2.gz WSRRQVREUBCMAK-GOSISDBHSA-N 2 0 335.492 1.419 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@@H](C)C2)C1 ZINC000456333507 447363270 /nfs/dbraw/zinc/36/32/70/447363270.db2.gz LPDVNTGHKQIXMP-MJGOQNOKSA-N 2 0 345.487 1.688 20 0 EDADRP Cc1cc(-n2cncn2)ccc1C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530641740 305944449 /nfs/dbraw/zinc/94/44/49/305944449.db2.gz GKCZGTOGXCJYFE-UHFFFAOYSA-N 2 0 344.463 1.141 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000535726450 306015184 /nfs/dbraw/zinc/01/51/84/306015184.db2.gz BKZVQAGEICKFOV-CVEARBPZSA-N 2 0 342.528 1.715 20 0 EDADRP C[N@H+](CCC(=O)N1CC[C@@H](C[NH+]2CCOCC2)C1)C1CCCCC1 ZINC000545309252 306083994 /nfs/dbraw/zinc/08/39/94/306083994.db2.gz YXVBZKMFDIPNQV-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000551196689 306156495 /nfs/dbraw/zinc/15/64/95/306156495.db2.gz FXUYOWGBGSCGRF-WFASDCNBSA-N 2 0 346.456 1.582 20 0 EDADRP C[C@@H]1CN(C[C@H](O)COc2ccccc2-n2ccnc2)C[C@H](C)O1 ZINC000555581122 306203262 /nfs/dbraw/zinc/20/32/62/306203262.db2.gz RTONSZRIBMOOBE-XHSDSOJGSA-N 2 0 331.416 1.721 20 0 EDADRP C[C@@H](CCn1cccn1)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000158807099 533697156 /nfs/dbraw/zinc/69/71/56/533697156.db2.gz BPDYNPPNNGBWDZ-INIZCTEOSA-N 2 0 343.475 1.743 20 0 EDADRP COc1cccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1OC ZINC000414972522 447380593 /nfs/dbraw/zinc/38/05/93/447380593.db2.gz JPIISMMBEOMYCM-AWEZNQCLSA-N 2 0 347.381 1.630 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOCCNC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000377885363 447385376 /nfs/dbraw/zinc/38/53/76/447385376.db2.gz SHFMOFATMABBJL-HOTGVXAUSA-N 2 0 341.496 1.944 20 0 EDADRP COCCCn1nccc1C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415112949 447390130 /nfs/dbraw/zinc/39/01/30/447390130.db2.gz TULCKNATPBUHJR-ROUUACIJSA-N 2 0 336.480 1.638 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C(C)C ZINC000458529361 447401923 /nfs/dbraw/zinc/40/19/23/447401923.db2.gz ZBLULYQIZKFAAU-QGZVFWFLSA-N 2 0 342.528 1.641 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000458576439 447418076 /nfs/dbraw/zinc/41/80/76/447418076.db2.gz PHRACKVMBUIDTK-DLBZAZTESA-N 2 0 340.512 1.205 20 0 EDADRP C[C@H](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000458642381 447436519 /nfs/dbraw/zinc/43/65/19/447436519.db2.gz IZFCRZSGCTUZEB-IAGOWNOFSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(N2CCCC2=O)c1 ZINC000103211893 441176715 /nfs/dbraw/zinc/17/67/15/441176715.db2.gz ADGPTDAVUXLJKE-UHFFFAOYSA-N 2 0 346.475 1.379 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CCC[C@H]([NH+](C)C)C2)C[C@H](C)O1 ZINC000105102639 441233778 /nfs/dbraw/zinc/23/37/78/441233778.db2.gz LQKAGYDQWQRFTK-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+](CC)CC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000059384472 441227634 /nfs/dbraw/zinc/22/76/34/441227634.db2.gz ALADQMDEULYFFR-UHFFFAOYSA-N 2 0 346.519 1.965 20 0 EDADRP CCCCNC(=O)NC(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047978242 441245506 /nfs/dbraw/zinc/24/55/06/441245506.db2.gz POEFPMPMGDMSHS-UHFFFAOYSA-N 2 0 326.485 1.666 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC1 ZINC000072996305 441284387 /nfs/dbraw/zinc/28/43/87/441284387.db2.gz REIXWRLBVAFZBO-LJQANCHMSA-N 2 0 344.503 1.504 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2Br)C1 ZINC000063178357 441316345 /nfs/dbraw/zinc/31/63/45/441316345.db2.gz OXTRYCZHIKCETM-CYBMUJFWSA-N 2 0 340.265 1.736 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)C2CCCCC2)C1 ZINC000052867164 441482547 /nfs/dbraw/zinc/48/25/47/441482547.db2.gz SWYOACMJRVUJJX-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1n[nH]cc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420896 441452610 /nfs/dbraw/zinc/45/26/10/441452610.db2.gz FTGAZRRTVVJHHH-KRWDZBQOSA-N 2 0 341.459 1.705 20 0 EDADRP C[C@@H](CN1CCOCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000091510395 441709979 /nfs/dbraw/zinc/70/99/79/441709979.db2.gz RWBMQHMXQMFASX-OKZBNKHCSA-N 2 0 339.524 1.528 20 0 EDADRP O=C(c1ccco1)N1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000158852300 441769003 /nfs/dbraw/zinc/76/90/03/441769003.db2.gz ZZLVSWUQPRFZEG-UHFFFAOYSA-N 2 0 335.448 1.586 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NC3CC[NH+](C4CC4)CC3)CC[C@@H]21 ZINC000158502560 441741680 /nfs/dbraw/zinc/74/16/80/441741680.db2.gz AWVWCYFABKFQDB-QAPCUYQASA-N 3 0 334.508 1.146 20 0 EDADRP CCNC(=O)NC(=O)CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000158877551 441770584 /nfs/dbraw/zinc/77/05/84/441770584.db2.gz FHXNPRMQVOGFAQ-OAHLLOKOSA-N 2 0 338.496 1.809 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+](C)CC2)[C@H](C)C1 ZINC000115784213 441776912 /nfs/dbraw/zinc/77/69/12/441776912.db2.gz HUIDTGYJYRFDFR-NVXWUHKLSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1ccc2c(c1C)OC[C@@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077809412 441864724 /nfs/dbraw/zinc/86/47/24/441864724.db2.gz QPDQIRPMLIDRIM-KRWDZBQOSA-N 2 0 348.491 1.872 20 0 EDADRP O=C(CN1CCC(C[NH+]2CCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000142867610 441866982 /nfs/dbraw/zinc/86/69/82/441866982.db2.gz IEAYITUMPFYSMB-UHFFFAOYSA-N 2 0 348.535 1.537 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000140180652 441834790 /nfs/dbraw/zinc/83/47/90/441834790.db2.gz LAYMFEGTPHTHMC-UHFFFAOYSA-N 2 0 340.512 1.706 20 0 EDADRP C[NH+](C)CCCOC1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092919688 441839929 /nfs/dbraw/zinc/83/99/29/441839929.db2.gz QPPIDTKKQWWVCW-UHFFFAOYSA-N 2 0 345.451 1.182 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC1CCC(O)CC1 ZINC000125217206 441997699 /nfs/dbraw/zinc/99/76/99/441997699.db2.gz OGHFPYLLFUVVLE-UHFFFAOYSA-N 2 0 328.501 1.205 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000079124654 442022257 /nfs/dbraw/zinc/02/22/57/442022257.db2.gz ADVDMNHYASCLRK-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP CCOc1ccccc1CN(CCCn1ccnc1)CC(=O)NC ZINC000161895233 442041590 /nfs/dbraw/zinc/04/15/90/442041590.db2.gz XWLJYQGOSAPTHH-UHFFFAOYSA-N 2 0 330.432 1.920 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)C ZINC000175524844 442080580 /nfs/dbraw/zinc/08/05/80/442080580.db2.gz IUAQAYVFQYYNOF-UHFFFAOYSA-N 2 0 341.544 1.430 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175720708 442112103 /nfs/dbraw/zinc/11/21/03/442112103.db2.gz RMADCCBAKUMJEX-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000162681913 442114395 /nfs/dbraw/zinc/11/43/95/442114395.db2.gz AACBASGKFQHLSI-RNIPGJKVSA-N 2 0 345.487 1.780 20 0 EDADRP C[C@@H](NC(=O)CN1CCN(c2ccccn2)CC1)C(C)(C)C[NH+](C)C ZINC000175814334 442127879 /nfs/dbraw/zinc/12/78/79/442127879.db2.gz LCCOHNUSLXMWTM-MRXNPFEDSA-N 2 0 347.507 1.296 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCOC(C)(C)C1 ZINC000176062886 442169485 /nfs/dbraw/zinc/16/94/85/442169485.db2.gz FNEIOFRXDAAXJO-CABCVRRESA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)C1 ZINC000176044773 442165265 /nfs/dbraw/zinc/16/52/65/442165265.db2.gz NQVDLQXOWOMAPX-BBWFWOEESA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1)N1CC[NH+](C)CC1 ZINC000127540418 442210588 /nfs/dbraw/zinc/21/05/88/442210588.db2.gz SLCYUKVKHOAAKP-HZPDHXFCSA-N 2 0 346.475 1.930 20 0 EDADRP Cn1ccnc1[C@@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000127558279 442211342 /nfs/dbraw/zinc/21/13/42/442211342.db2.gz IVRAPBSCAVBITD-SFHVURJKSA-N 2 0 340.475 1.808 20 0 EDADRP CC[C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)CCN1CCOC ZINC000168065562 442222852 /nfs/dbraw/zinc/22/28/52/442222852.db2.gz HWMZMUYEAYAKDR-MRXNPFEDSA-N 2 0 348.491 1.595 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCC([N@H+](C)CCCO)CC2)C1 ZINC000176626731 442242002 /nfs/dbraw/zinc/24/20/02/442242002.db2.gz AJJWLRGJWAUJBG-WBVHZDCISA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H](C)[NH2+]1 ZINC000153805686 442304469 /nfs/dbraw/zinc/30/44/69/442304469.db2.gz IXKKEHLFCQVBQT-HOTGVXAUSA-N 2 0 330.476 1.256 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000153685794 442296458 /nfs/dbraw/zinc/29/64/58/442296458.db2.gz ZUGMVNUSJHUSBQ-UHFFFAOYSA-N 2 0 349.479 1.259 20 0 EDADRP CN1Cc2ccc(NC(=O)C(=O)NCC3CC[NH+](C)CC3)cc2C1 ZINC000129162806 442304202 /nfs/dbraw/zinc/30/42/02/442304202.db2.gz KLJFLISDRRQTHX-UHFFFAOYSA-N 2 0 330.432 1.029 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](CCN(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000129623819 442325706 /nfs/dbraw/zinc/32/57/06/442325706.db2.gz TYFJHYTWDGAMHH-ZACQAIPSSA-N 2 0 338.540 1.638 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCCC[NH+]1CCc2ccccc2C1 ZINC000171196252 442326131 /nfs/dbraw/zinc/32/61/31/442326131.db2.gz SPDRLYQEWJIPLI-UHFFFAOYSA-N 2 0 348.491 1.312 20 0 EDADRP Cc1ccnc(N2CCN(C(=O)[C@@H]3CCn4cncc4C3)CC2)c1 ZINC000153928901 442311439 /nfs/dbraw/zinc/31/14/39/442311439.db2.gz MKBXUBPXSATXFQ-OAHLLOKOSA-N 2 0 325.416 1.498 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000131393119 442371071 /nfs/dbraw/zinc/37/10/71/442371071.db2.gz DFYDJNPMGRAWQG-QGZVFWFLSA-N 2 0 343.537 1.466 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000131376873 442371424 /nfs/dbraw/zinc/37/14/24/442371424.db2.gz WGVICJCJIGNRQD-GOSISDBHSA-N 2 0 333.476 1.715 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000130917867 442359601 /nfs/dbraw/zinc/35/96/01/442359601.db2.gz JOWSPPHAIOZTFB-NUJGCVRESA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154896762 442363146 /nfs/dbraw/zinc/36/31/46/442363146.db2.gz MXIWUBGMUMOJLD-MSOLQXFVSA-N 3 0 348.535 1.914 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)NCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000133402085 442416196 /nfs/dbraw/zinc/41/61/96/442416196.db2.gz OADDAUDCXVTCCG-IYBDPMFKSA-N 2 0 348.491 1.657 20 0 EDADRP C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CC1CC[NH2+]CC1 ZINC000178966356 442540139 /nfs/dbraw/zinc/54/01/39/442540139.db2.gz KFWHUAANYIALQS-UHFFFAOYSA-N 2 0 340.489 1.790 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134891837 442532889 /nfs/dbraw/zinc/53/28/89/442532889.db2.gz GKWPXOGSOPENST-WNHJNPCNSA-N 2 0 338.492 1.492 20 0 EDADRP OCC[NH+]1CCC(CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187975569 442701259 /nfs/dbraw/zinc/70/12/59/442701259.db2.gz GPPXOKVOKAXSCW-KRWDZBQOSA-N 2 0 332.423 1.932 20 0 EDADRP CC1(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000193382445 442737557 /nfs/dbraw/zinc/73/75/57/442737557.db2.gz IVOFVDSTNYNKNU-UHFFFAOYSA-N 2 0 330.476 1.457 20 0 EDADRP C[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[N@@H+]1CCc2ccccc2C1 ZINC000188747755 442802362 /nfs/dbraw/zinc/80/23/62/442802362.db2.gz SGABINWXZGEANB-ZDUSSCGKSA-N 2 0 339.443 1.232 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000188506562 442757715 /nfs/dbraw/zinc/75/77/15/442757715.db2.gz DBBBPXNQZMRZQH-MRXNPFEDSA-N 2 0 328.501 1.326 20 0 EDADRP COC(=O)c1ccccc1OCC[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182377444 442761292 /nfs/dbraw/zinc/76/12/92/442761292.db2.gz FOGRHTBNWLRZIO-UHFFFAOYSA-N 2 0 349.475 1.421 20 0 EDADRP COC[C@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182844350 442834152 /nfs/dbraw/zinc/83/41/52/442834152.db2.gz XIEUNGMALOIFJI-GUYCJALGSA-N 2 0 327.419 1.878 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000247136353 442836763 /nfs/dbraw/zinc/83/67/63/442836763.db2.gz SPCGUFCZLPBBBH-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000189006973 442860423 /nfs/dbraw/zinc/86/04/23/442860423.db2.gz GVNONDMOQZNLCT-XJKSGUPXSA-N 2 0 325.403 1.868 20 0 EDADRP C[C@@H](NS(=O)(=O)CC[NH+]1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000189809826 443015392 /nfs/dbraw/zinc/01/53/92/443015392.db2.gz GNCOOZDMWNZHGE-CVEARBPZSA-N 2 0 343.537 1.655 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1n[nH]c2c1CCCCC2 ZINC000190387115 443098265 /nfs/dbraw/zinc/09/82/65/443098265.db2.gz XVHMVGZZAVICDP-UHFFFAOYSA-N 2 0 347.507 1.777 20 0 EDADRP CC(C)[C@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+]1CCC(C)CC1 ZINC000236721021 443145568 /nfs/dbraw/zinc/14/55/68/443145568.db2.gz WHDXKAATMHWLJJ-CVEARBPZSA-N 2 0 327.538 1.954 20 0 EDADRP COC(=O)C1CC[NH+](C/C=C\C[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000255560400 443103294 /nfs/dbraw/zinc/10/32/94/443103294.db2.gz XLIDXIOLDYEJBS-ARJAWSKDSA-N 2 0 338.448 1.313 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H]([NH+]2CCCC2)C1)c1ccccc1 ZINC000184962734 443107741 /nfs/dbraw/zinc/10/77/41/443107741.db2.gz OODJLGCARGKICW-OALUTQOASA-N 2 0 344.503 1.576 20 0 EDADRP C[C@H]1CN(C)CCN1C(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261735083 443166478 /nfs/dbraw/zinc/16/64/78/443166478.db2.gz LFWKKPQHSDHZTA-XHDPSFHLSA-N 2 0 340.265 1.786 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2nc(N3CC[C@H]([NH+](C)C)C3)ncc2Cl)C1 ZINC000269021155 443175427 /nfs/dbraw/zinc/17/54/27/443175427.db2.gz FHBVOIDRLIPDAW-OLZOCXBDSA-N 2 0 338.887 1.411 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000237906754 443187886 /nfs/dbraw/zinc/18/78/86/443187886.db2.gz IZCMGPSCNIABPO-SJLPKXTDSA-N 2 0 331.460 1.647 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262331983 443190033 /nfs/dbraw/zinc/19/00/33/443190033.db2.gz SICAXBJODVLMSF-IXDOHACOSA-N 2 0 347.507 1.444 20 0 EDADRP C[NH+](C)CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190839670 443193361 /nfs/dbraw/zinc/19/33/61/443193361.db2.gz OHLFWQVPOOVSKI-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000236997641 443156098 /nfs/dbraw/zinc/15/60/98/443156098.db2.gz DLATVZUGJGMIIC-WMZOPIPTSA-N 2 0 330.476 1.686 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000349417120 319031789 /nfs/dbraw/zinc/03/17/89/319031789.db2.gz PHGDUEAWBUUROW-INIZCTEOSA-N 2 0 348.491 1.500 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccn(C)c2)CCN1C1CC[NH+](C)CC1 ZINC000360053285 319116619 /nfs/dbraw/zinc/11/66/19/319116619.db2.gz CZARWLRZEFNUFS-HNNXBMFYSA-N 2 0 333.480 1.335 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000397453199 319134660 /nfs/dbraw/zinc/13/46/60/319134660.db2.gz PYOYQUIHPRDADJ-LVQVYYBASA-N 2 0 341.496 1.941 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@@H]2C[NH2+]CCO2)cc1Cl ZINC000269254011 443251812 /nfs/dbraw/zinc/25/18/12/443251812.db2.gz RCJVUQQZVMGAAP-CYBMUJFWSA-N 2 0 341.839 1.597 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C(C)C)[C@H](CO)C(C)C)CC1 ZINC000411783169 319203135 /nfs/dbraw/zinc/20/31/35/319203135.db2.gz FKLMSGXPQYILFV-SJLPKXTDSA-N 2 0 327.513 1.466 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000269264575 443257847 /nfs/dbraw/zinc/25/78/47/443257847.db2.gz YDHOVCADDOKQBX-QGZVFWFLSA-N 2 0 349.500 1.595 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[N@@H+]4CCC[C@H]4C3)ccc21 ZINC000269267146 443258429 /nfs/dbraw/zinc/25/84/29/443258429.db2.gz PQGJONJBNZERRV-KRWDZBQOSA-N 2 0 326.444 1.910 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000414683743 319341670 /nfs/dbraw/zinc/34/16/70/319341670.db2.gz ULIMEOCNCIJHSZ-KRWDZBQOSA-N 2 0 348.491 1.827 20 0 EDADRP CC(C)C[C@H]([NH3+])CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000414686241 319342361 /nfs/dbraw/zinc/34/23/61/319342361.db2.gz FUZDFUHROMNSMI-AWEZNQCLSA-N 2 0 325.419 1.946 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]1 ZINC000414685682 319342413 /nfs/dbraw/zinc/34/24/13/319342413.db2.gz DIJBSMOUAIONMV-CABCVRRESA-N 2 0 337.430 1.961 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000415008866 319345050 /nfs/dbraw/zinc/34/50/50/319345050.db2.gz SSNUSKLUYBIELE-GOEBONIOSA-N 2 0 349.475 1.817 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415213228 319351974 /nfs/dbraw/zinc/35/19/74/319351974.db2.gz NPDJSOVQASAVNY-INIZCTEOSA-N 2 0 346.475 1.725 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N[C@H]3CC[NH2+]C3)c2C1 ZINC000415336275 319361280 /nfs/dbraw/zinc/36/12/80/319361280.db2.gz VJVUXUCKMKSIJI-HIFRSBDPSA-N 2 0 344.459 1.463 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)c1 ZINC000415937586 319383693 /nfs/dbraw/zinc/38/36/93/319383693.db2.gz XXCBPPOKSMXRLA-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000185870925 443273114 /nfs/dbraw/zinc/27/31/14/443273114.db2.gz BGTGZORFRWSJHD-QGZVFWFLSA-N 2 0 331.508 1.797 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1C[NH2+]C[C@H]1O ZINC000416906098 319471192 /nfs/dbraw/zinc/47/11/92/319471192.db2.gz RYMRKJJLXBKGRA-QZTJIDSGSA-N 2 0 346.475 1.052 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)N[C@H]1CCC[NH2+]C1 ZINC000418500561 319502683 /nfs/dbraw/zinc/50/26/83/319502683.db2.gz OJLPDZYVTXPSAE-XEZPLFJOSA-N 2 0 338.402 1.462 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418681756 319510847 /nfs/dbraw/zinc/51/08/47/319510847.db2.gz ZCJNAGXRKKDLEU-AWEZNQCLSA-N 2 0 335.452 1.439 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000418929789 319535046 /nfs/dbraw/zinc/53/50/46/319535046.db2.gz AHGKUYGAYLWPQR-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419131833 319559483 /nfs/dbraw/zinc/55/94/83/319559483.db2.gz GZQCDJQFMAWCEW-SOUVJXGZSA-N 2 0 340.512 1.197 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccccc1 ZINC000278980360 443481036 /nfs/dbraw/zinc/48/10/36/443481036.db2.gz JXLMPYRWKBNVPD-RHSMWYFYSA-N 2 0 327.432 1.519 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cn1 ZINC000620012188 450402368 /nfs/dbraw/zinc/40/23/68/450402368.db2.gz WNYGRINVSAHNFL-KRWDZBQOSA-N 2 0 332.448 1.126 20 0 EDADRP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000422730694 319734168 /nfs/dbraw/zinc/73/41/68/319734168.db2.gz FGTVRNFXVIBBDT-BRWVUGGUSA-N 2 0 335.517 1.853 20 0 EDADRP C[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000422737859 319735966 /nfs/dbraw/zinc/73/59/66/319735966.db2.gz IQNLFCOQYLMOBB-YVWKXTFCSA-N 3 0 344.503 1.468 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422742054 319736959 /nfs/dbraw/zinc/73/69/59/319736959.db2.gz QZHULTWSBGOYKI-WMLDXEAASA-N 2 0 339.505 1.851 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000422935573 319739526 /nfs/dbraw/zinc/73/95/26/319739526.db2.gz KYNRFCRGTOWJMO-ZBFHGGJFSA-N 2 0 325.478 1.251 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000422947463 319740003 /nfs/dbraw/zinc/74/00/03/319740003.db2.gz QEBIPEPKNUCHAP-RCCFBDPRSA-N 2 0 331.460 1.935 20 0 EDADRP O=C(NCC[NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(Br)c1 ZINC000422957514 319742112 /nfs/dbraw/zinc/74/21/12/319742112.db2.gz UNEFYQXZIGFUJF-CQSZACIVSA-N 2 0 340.265 1.911 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2(COC)CCOCC2)CC[NH2+]CC1 ZINC000423128912 319751973 /nfs/dbraw/zinc/75/19/73/319751973.db2.gz LGBSRGZADDJKIK-HNNXBMFYSA-N 2 0 342.480 1.341 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@H]1CCC[N@@H+]1C ZINC000265006454 443507409 /nfs/dbraw/zinc/50/74/09/443507409.db2.gz YLRWUOXPSDEUAU-MRXNPFEDSA-N 2 0 325.403 1.949 20 0 EDADRP [NH3+][C@@H]1C[C@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402754 319771590 /nfs/dbraw/zinc/77/15/90/319771590.db2.gz XBQUNEUXHZGHOW-QLFBSQMISA-N 2 0 328.382 1.557 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000423408596 319773035 /nfs/dbraw/zinc/77/30/35/319773035.db2.gz AMHYMVHUWXXESK-INIZCTEOSA-N 2 0 340.512 1.025 20 0 EDADRP C[C@]1(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000273031771 443523744 /nfs/dbraw/zinc/52/37/44/443523744.db2.gz SERUCIHQZYUQAX-FQEVSTJZSA-N 2 0 344.503 1.705 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265078398 443525740 /nfs/dbraw/zinc/52/57/40/443525740.db2.gz JDPRFNWPOZJWPC-UHFFFAOYSA-N 2 0 344.419 1.052 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2nccnc21 ZINC000273204641 443562521 /nfs/dbraw/zinc/56/25/21/443562521.db2.gz AKQWWTDKTPLEEU-UHFFFAOYSA-N 2 0 343.475 1.975 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)nc2)CC1 ZINC000427293888 319895663 /nfs/dbraw/zinc/89/56/63/319895663.db2.gz FSJXQDNUGOCMIZ-AWEZNQCLSA-N 2 0 331.464 1.550 20 0 EDADRP COc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c(OC)c1 ZINC000433135450 319971036 /nfs/dbraw/zinc/97/10/36/319971036.db2.gz NQNSJNDXUDXCTA-UHFFFAOYSA-N 2 0 335.448 1.523 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCN2CCCCCC2=O)CC1 ZINC000433164088 319973250 /nfs/dbraw/zinc/97/32/50/319973250.db2.gz QGXIWMFSBMOMKJ-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP C[NH+](C)C1(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC1 ZINC000438518994 320035116 /nfs/dbraw/zinc/03/51/16/320035116.db2.gz YAGJXRHBEJMVON-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2n(n1)CCC2 ZINC000448855786 320162015 /nfs/dbraw/zinc/16/20/15/320162015.db2.gz ZVBBOIJXFYGYSN-MRXNPFEDSA-N 2 0 333.480 1.317 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[NH+](C)C ZINC000455446145 320303404 /nfs/dbraw/zinc/30/34/04/320303404.db2.gz VNLBPFCLLAPDMC-ARFHVFGLSA-N 2 0 340.512 1.467 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc2c([nH]1)CCOC2 ZINC000457511843 320329061 /nfs/dbraw/zinc/32/90/61/320329061.db2.gz ALYZXLKZQCIDGD-MRXNPFEDSA-N 2 0 348.491 1.576 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCC[C@@H](C)C1 ZINC000457706477 320332671 /nfs/dbraw/zinc/33/26/71/320332671.db2.gz LOTQHFSUWFWCNA-IKGGRYGDSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000458711507 320339194 /nfs/dbraw/zinc/33/91/94/320339194.db2.gz FOYGQIWKYMZPNG-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCC[NH+]2CCCC2)[C@H](C)C1 ZINC000458852794 320343118 /nfs/dbraw/zinc/34/31/18/320343118.db2.gz NYSJYZHXDXYFIM-SJORKVTESA-N 2 0 340.512 1.349 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@@H](C)C1 ZINC000488375839 320357965 /nfs/dbraw/zinc/35/79/65/320357965.db2.gz RHRUNDWHCGAOSX-QXDIGNSFSA-N 2 0 334.508 1.985 20 0 EDADRP C[C@@H](C[NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000286282679 443682696 /nfs/dbraw/zinc/68/26/96/443682696.db2.gz WPHVOANQGQIQHS-AWEZNQCLSA-N 2 0 338.883 1.563 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)C3(C[NH3+])CCCC3)CC2)nc1 ZINC000516869455 320442282 /nfs/dbraw/zinc/44/22/82/320442282.db2.gz JXXACWNUVKRFEX-UHFFFAOYSA-N 2 0 345.491 1.311 20 0 EDADRP O[C@@H](Cn1cccn1)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280477038 443721475 /nfs/dbraw/zinc/72/14/75/443721475.db2.gz PIKQFNJESCNZGY-CEXWTWQISA-N 2 0 326.444 1.308 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000519818785 320473716 /nfs/dbraw/zinc/47/37/16/320473716.db2.gz JSMMHGQQRDJFFB-JKIFEVAISA-N 2 0 341.858 1.533 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@@H](O)[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000527757530 320523687 /nfs/dbraw/zinc/52/36/87/320523687.db2.gz KBOVGRWCGWIAEZ-WOJBJXKFSA-N 2 0 347.503 1.847 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529351191 320575977 /nfs/dbraw/zinc/57/59/77/320575977.db2.gz QVZPBDLBCFPVOG-BZUAXINKSA-N 2 0 336.480 1.199 20 0 EDADRP C[C@H](NC(=O)N(C)CCN1CCOCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000288271846 443827385 /nfs/dbraw/zinc/82/73/85/443827385.db2.gz VKAIWIZZWKQMGX-WMZOPIPTSA-N 2 0 348.491 1.651 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1cccc(OC(F)F)c1 ZINC000531118901 320649468 /nfs/dbraw/zinc/64/94/68/320649468.db2.gz NMVOTRISNNSCRV-UHFFFAOYSA-N 2 0 343.418 1.782 20 0 EDADRP CN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[NH+]1CCC(O)CC1 ZINC000542367871 320781187 /nfs/dbraw/zinc/78/11/87/320781187.db2.gz USQBDZNYLYHFCO-SFHVURJKSA-N 2 0 333.476 1.595 20 0 EDADRP CC(C)[N@H+](CCCN1CCN(c2ccccc2)CC1)CCOCCO ZINC000285303226 443934844 /nfs/dbraw/zinc/93/48/44/443934844.db2.gz MCSDJEYJDBBPHJ-UHFFFAOYSA-N 2 0 349.519 1.918 20 0 EDADRP CCCN(CCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299463490 444052619 /nfs/dbraw/zinc/05/26/19/444052619.db2.gz AKAWSSDYKAASSI-UHFFFAOYSA-N 2 0 349.479 1.008 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CCSC1 ZINC000561055446 321032110 /nfs/dbraw/zinc/03/21/10/321032110.db2.gz FSRLTSXUZXVPJS-CXAGYDPISA-N 2 0 349.504 1.456 20 0 EDADRP COc1cccc(Cl)c1CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000562814165 321077880 /nfs/dbraw/zinc/07/78/80/321077880.db2.gz PZYGSXGQEOMTAN-LLVKDONJSA-N 2 0 326.828 1.133 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000563077172 321094268 /nfs/dbraw/zinc/09/42/68/321094268.db2.gz ZKPAQBFICWUSLC-UHFFFAOYSA-N 2 0 333.476 1.648 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000563604288 321111877 /nfs/dbraw/zinc/11/18/77/321111877.db2.gz DFLMWBBECZOWNV-UONOGXRCSA-N 2 0 332.439 1.793 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC3CCN(c4ccccn4)CC3)C2)C1 ZINC000564393695 321128648 /nfs/dbraw/zinc/12/86/48/321128648.db2.gz OQJCVQSUEVBUGP-IBGZPJMESA-N 2 0 343.475 1.788 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000564641484 321139749 /nfs/dbraw/zinc/13/97/49/321139749.db2.gz WDPZOPSIOVIJOS-ZBFHGGJFSA-N 2 0 343.537 1.843 20 0 EDADRP C[C@@H]1C[C@@H]1N1C[C@H]([NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000564826473 321150603 /nfs/dbraw/zinc/15/06/03/321150603.db2.gz OOWKINDUFLPIFL-YBWDHNITSA-N 2 0 341.455 1.841 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000564852075 321151137 /nfs/dbraw/zinc/15/11/37/321151137.db2.gz JEOZXFQBQOYVMQ-FGTMMUONSA-N 2 0 328.497 1.377 20 0 EDADRP Cc1c(C(=O)NC2CC[NH+](C(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000564890185 321155319 /nfs/dbraw/zinc/15/53/19/321155319.db2.gz QDEDMTKZJOAOBX-UHFFFAOYSA-N 2 0 334.468 1.114 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCCC1 ZINC000299594714 444089229 /nfs/dbraw/zinc/08/92/29/444089229.db2.gz UFZUDDHCLQOSIG-UHFFFAOYSA-N 2 0 331.464 1.836 20 0 EDADRP Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000566078152 321213533 /nfs/dbraw/zinc/21/35/33/321213533.db2.gz VFPOPLRGGYVYFZ-IXDOHACOSA-N 2 0 346.475 1.902 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CCCCCC1 ZINC000567107623 321241192 /nfs/dbraw/zinc/24/11/92/321241192.db2.gz JDFXTNKCULIJCE-OAHLLOKOSA-N 2 0 348.495 1.415 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3(O)CCCC3)c2)C1 ZINC000567692474 321253187 /nfs/dbraw/zinc/25/31/87/321253187.db2.gz UULWZXSSHQAZSW-SFHVURJKSA-N 2 0 345.487 1.779 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3conc3C(C)(C)[NH3+])cn2)CC1 ZINC000568231653 321283695 /nfs/dbraw/zinc/28/36/95/321283695.db2.gz ZGUQJMFCFTYMPW-UHFFFAOYSA-N 2 0 344.419 1.268 20 0 EDADRP Cc1c(C(=O)N(CC[NH+](C)C)C2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000568393244 321289625 /nfs/dbraw/zinc/28/96/25/321289625.db2.gz LEINSISJDGZGAS-UHFFFAOYSA-N 2 0 348.495 1.457 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000568770193 321305961 /nfs/dbraw/zinc/30/59/61/321305961.db2.gz VNSCHZYXGMTFOE-QZTJIDSGSA-N 2 0 330.476 1.682 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000285771109 444102212 /nfs/dbraw/zinc/10/22/12/444102212.db2.gz SVAARZZTDNQVAP-HNNXBMFYSA-N 2 0 346.475 1.696 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000571676924 321397105 /nfs/dbraw/zinc/39/71/05/321397105.db2.gz RJMWHBOKKPBBLC-GUYCJALGSA-N 2 0 325.416 1.535 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000285834880 444124390 /nfs/dbraw/zinc/12/43/90/444124390.db2.gz VQUYLGQRCDIINU-ROUUACIJSA-N 2 0 331.460 1.345 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc(N2CCC[C@H](CO)C2)ncn1 ZINC000301464950 444173065 /nfs/dbraw/zinc/17/30/65/444173065.db2.gz PRBKSEBCDKDJGV-IRXDYDNUSA-N 2 0 347.507 1.996 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCC[C@@H]1CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000305695029 444273126 /nfs/dbraw/zinc/27/31/26/444273126.db2.gz DCIDHIZGGZVZNI-VVLHAWIVSA-N 2 0 325.497 1.601 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000290306297 444265081 /nfs/dbraw/zinc/26/50/81/444265081.db2.gz ZGQRBKKVJWCONN-ZWKOTPCHSA-N 2 0 330.476 1.796 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000290026647 444232454 /nfs/dbraw/zinc/23/24/54/444232454.db2.gz CPKNSADMUZPXHL-WMZOPIPTSA-N 2 0 345.491 1.084 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N2CCCCCC2)CC1 ZINC000303346452 444236594 /nfs/dbraw/zinc/23/65/94/444236594.db2.gz ZXNMHPPQTNATMP-INIZCTEOSA-N 2 0 325.497 1.414 20 0 EDADRP C[N@H+](C[C@H](O)CNC[C@H]1CCC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000310505701 444291948 /nfs/dbraw/zinc/29/19/48/444291948.db2.gz JBPRIRIFNYCHPE-UYAOXDASSA-N 2 0 331.504 1.943 20 0 EDADRP CN(C(=O)COC1(C)C[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000310465914 444291991 /nfs/dbraw/zinc/29/19/91/444291991.db2.gz ZLDGDMGZFYSSKD-UHFFFAOYSA-N 2 0 331.460 1.488 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)NCCCc2ccccc2)CC1 ZINC000325503920 444366903 /nfs/dbraw/zinc/36/69/03/444366903.db2.gz HHDNRIAIQZPBEJ-UHFFFAOYSA-N 2 0 333.476 1.565 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCN3C(=O)c4ccccc4C3=O)C[C@H]21 ZINC000325693842 444367989 /nfs/dbraw/zinc/36/79/89/444367989.db2.gz RBFARYDBSXGLDF-KBRIMQKVSA-N 2 0 327.428 1.732 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000578847726 321839528 /nfs/dbraw/zinc/83/95/28/321839528.db2.gz QAGGVQIFMSMCRT-JKSUJKDBSA-N 2 0 342.447 1.403 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1)N1CC[NH+](C)CC1 ZINC000340470990 444391667 /nfs/dbraw/zinc/39/16/67/444391667.db2.gz AMWMVJJVQIKWMY-IKGGRYGDSA-N 2 0 345.553 1.204 20 0 EDADRP COC[C@@H]1CCN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000337878259 444445900 /nfs/dbraw/zinc/44/59/00/444445900.db2.gz WDXAVGGHUWQOHX-MRXNPFEDSA-N 2 0 328.501 1.280 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1Cl ZINC000580065410 322003971 /nfs/dbraw/zinc/00/39/71/322003971.db2.gz VNMUQNSGVWMTDE-CQSZACIVSA-N 2 0 327.856 1.047 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000580065384 322004100 /nfs/dbraw/zinc/00/41/00/322004100.db2.gz USHVKSWAQVJXJG-BQFCYCMXSA-N 2 0 327.513 1.167 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)Cn1cccn1 ZINC000581246086 322153885 /nfs/dbraw/zinc/15/38/85/322153885.db2.gz HVNQRNPYOSBKBF-MOPGFXCFSA-N 2 0 328.460 1.398 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000581418710 322174924 /nfs/dbraw/zinc/17/49/24/322174924.db2.gz PUPODXMZIJCBJF-LSDHHAIUSA-N 2 0 340.855 1.230 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](O)C[C@H]1[C@@H]1CCCOC1 ZINC000581983994 322240187 /nfs/dbraw/zinc/24/01/87/322240187.db2.gz KRCPBWFTSBKVJQ-LZQZEXGQSA-N 2 0 342.443 1.938 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000343750540 444563936 /nfs/dbraw/zinc/56/39/36/444563936.db2.gz AWYYEEKMKBRAMK-MRXNPFEDSA-N 2 0 341.540 1.809 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340863927 444549430 /nfs/dbraw/zinc/54/94/30/444549430.db2.gz WICPUYUSFZRHAN-NJAFHUGGSA-N 2 0 332.492 1.941 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[N@@H+]1C ZINC000341009052 444628168 /nfs/dbraw/zinc/62/81/68/444628168.db2.gz DTHOQFWYUAETAG-NXHRZFHOSA-N 2 0 332.492 1.941 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000333013024 444629511 /nfs/dbraw/zinc/62/95/11/444629511.db2.gz VFDDOWVKVFJVET-DLBZAZTESA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000332916264 444595285 /nfs/dbraw/zinc/59/52/85/444595285.db2.gz APDBDCCPRVDGIK-HOTGVXAUSA-N 2 0 345.491 1.322 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000332921151 444597319 /nfs/dbraw/zinc/59/73/19/444597319.db2.gz HEFHEYVEJBMRCE-YJBOKZPZSA-N 2 0 345.491 1.828 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000343859059 444632446 /nfs/dbraw/zinc/63/24/46/444632446.db2.gz FDGOVPIMANLSJE-OIISXLGYSA-N 2 0 347.459 1.294 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC[N@@H+]1C ZINC000341188389 444718511 /nfs/dbraw/zinc/71/85/11/444718511.db2.gz DAIFKKQJGQBQHA-HOTGVXAUSA-N 2 0 333.480 1.638 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000342698370 444821322 /nfs/dbraw/zinc/82/13/22/444821322.db2.gz SXKGCMVBCNKTMU-NXOAAHMSSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)C(=O)NCc1ccco1 ZINC000344116791 444790206 /nfs/dbraw/zinc/79/02/06/444790206.db2.gz NODGBJHRXUDJHM-CQSZACIVSA-N 2 0 339.399 1.963 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000330084172 444838783 /nfs/dbraw/zinc/83/87/83/444838783.db2.gz KYMNYODHLXLISU-HOTGVXAUSA-N 2 0 331.464 1.384 20 0 EDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000344282745 444878494 /nfs/dbraw/zinc/87/84/94/444878494.db2.gz GECUWPRSKNBTJM-AWEZNQCLSA-N 2 0 337.489 1.849 20 0 EDADRP Cc1nc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)nc(N2C[C@H](C)[NH+](C)[C@@H](C)C2)n1 ZINC000338791399 444853376 /nfs/dbraw/zinc/85/33/76/444853376.db2.gz FHPVTZUJKVSKRA-AJNGGQMLSA-N 2 0 347.511 1.238 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCC[NH+](C)[C@@H]2C)C1 ZINC000344237792 444855815 /nfs/dbraw/zinc/85/58/15/444855815.db2.gz OPPBATQKGIRHQL-OAGGEKHMSA-N 2 0 326.485 1.125 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)N2CCC(OCCC[NH+](C)C)CC2)CC[N@@H+]1C ZINC000344237059 444856378 /nfs/dbraw/zinc/85/63/78/444856378.db2.gz NVHHESUOQXFTSI-CVEARBPZSA-N 2 0 325.497 1.676 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943331 444955816 /nfs/dbraw/zinc/95/58/16/444955816.db2.gz PUBMOPHWSKVHRV-WBVHZDCISA-N 2 0 345.491 1.806 20 0 EDADRP Cc1cc(CN2C[C@H](F)C[C@@H]2CNc2ccnc(N(C)C)n2)on1 ZINC000342986929 444990203 /nfs/dbraw/zinc/99/02/03/444990203.db2.gz DFVFSRRKNNCLJQ-CHWSQXEVSA-N 2 0 334.399 1.864 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000344481838 445001490 /nfs/dbraw/zinc/00/14/90/445001490.db2.gz JEGWVHKKMUNVHP-MRXNPFEDSA-N 2 0 340.512 1.253 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000339146329 445056605 /nfs/dbraw/zinc/05/66/05/445056605.db2.gz YTPHGXNVEOENBO-QGZVFWFLSA-N 2 0 345.418 1.955 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000341918944 445071966 /nfs/dbraw/zinc/07/19/66/445071966.db2.gz GRMJILZQMHRBPB-NXHRZFHOSA-N 2 0 346.475 1.231 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)C1 ZINC000343126618 445081898 /nfs/dbraw/zinc/08/18/98/445081898.db2.gz CXXFIYJBOXRXIY-KZNAEPCWSA-N 2 0 336.524 1.251 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@H]1[NH+](C)C ZINC000344720246 445136034 /nfs/dbraw/zinc/13/60/34/445136034.db2.gz GKUNBTABDCIDNZ-OAGGEKHMSA-N 2 0 343.537 1.284 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@H]1CCCO1 ZINC000337558529 445136844 /nfs/dbraw/zinc/13/68/44/445136844.db2.gz YUVYVWLIZGYKNH-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000337513449 445113584 /nfs/dbraw/zinc/11/35/84/445113584.db2.gz NXPPOAACWVMJRI-INIZCTEOSA-N 2 0 335.496 1.885 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)S(=O)(=O)c1cncc(F)c1 ZINC000339256531 445119075 /nfs/dbraw/zinc/11/90/75/445119075.db2.gz TYKNMISCUYKXOD-UHFFFAOYSA-N 2 0 346.472 1.115 20 0 EDADRP C[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)[NH+]1C ZINC000339623440 445154207 /nfs/dbraw/zinc/15/42/07/445154207.db2.gz ZGBZJVJCOJVYAU-NUJGCVRESA-N 2 0 332.492 1.430 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC1CC[NH+](C)CC1)CC(C)C ZINC000339632535 445156019 /nfs/dbraw/zinc/15/60/19/445156019.db2.gz TUFYWIDRXUVASW-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342079964 445161047 /nfs/dbraw/zinc/16/10/47/445161047.db2.gz FKTDUTLEHAMLKL-WDSOQIARSA-N 2 0 345.487 1.939 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)c1ccco1 ZINC000343340686 445205346 /nfs/dbraw/zinc/20/53/46/445205346.db2.gz QDEZPGLWPSQDHA-CVEARBPZSA-N 2 0 334.464 1.169 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCC[N@@H+]1C ZINC000343424049 445219940 /nfs/dbraw/zinc/21/99/40/445219940.db2.gz CEEXTPOLPQZLPJ-BPQIPLTHSA-N 2 0 331.460 1.486 20 0 EDADRP COCCC[NH+]1CCC([NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343394465 445215185 /nfs/dbraw/zinc/21/51/85/445215185.db2.gz ZDMHUGUZFXLJRE-YJBOKZPZSA-N 2 0 336.480 1.588 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)[C@H]([NH3+])CC(F)F)CCCCC2)CCO1 ZINC000345691487 445196244 /nfs/dbraw/zinc/19/62/44/445196244.db2.gz LRKVMQYSYNJPLP-CYBMUJFWSA-N 2 0 347.450 1.899 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[N@H+](C)C1 ZINC000347172466 445233524 /nfs/dbraw/zinc/23/35/24/445233524.db2.gz SZQYPRDGPPAGJC-QBPKDAKJSA-N 2 0 340.512 1.610 20 0 EDADRP CN(C(=O)c1ccc(CN2CCOCC2)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000343522264 445238196 /nfs/dbraw/zinc/23/81/96/445238196.db2.gz IHJHTVBUFTXTKN-INIZCTEOSA-N 2 0 332.448 1.080 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C[C@H]1CCO[C@H]1c1ccnn1C ZINC000343573843 445246577 /nfs/dbraw/zinc/24/65/77/445246577.db2.gz VXFLPPJYKIUUDL-JFIYKMOQSA-N 2 0 335.496 1.113 20 0 EDADRP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348102382 445269153 /nfs/dbraw/zinc/26/91/53/445269153.db2.gz NKJPXYNRTUGVCS-YESZJQIVSA-N 2 0 337.487 1.749 20 0 EDADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000347987893 445260601 /nfs/dbraw/zinc/26/06/01/445260601.db2.gz FDMHNPGMGBBNIZ-MSOLQXFVSA-N 2 0 335.492 1.573 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)C[N@H+](C)[C@@H]2CCSC2)C1 ZINC000348011586 445261076 /nfs/dbraw/zinc/26/10/76/445261076.db2.gz RVDDGZDNEOIOCX-OWCLPIDISA-N 2 0 341.521 1.135 20 0 EDADRP CO[C@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122292 445280184 /nfs/dbraw/zinc/28/01/84/445280184.db2.gz DBPOTILIFYTJDD-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@]2(CCCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000355782650 445478033 /nfs/dbraw/zinc/47/80/33/445478033.db2.gz MGEFFVCAZLHZEG-LJQANCHMSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)CCOC2C[NH2+]C2)C1 ZINC000348986588 445465613 /nfs/dbraw/zinc/46/56/13/445465613.db2.gz CDCWGSORNWGPQP-MRXNPFEDSA-N 2 0 345.487 1.913 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C3CCCCC3)CC2)C1 ZINC000362718411 445516511 /nfs/dbraw/zinc/51/65/11/445516511.db2.gz XBFXZCZZARUJSB-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP OCCC[C@@H]1CCC[NH+]1CC1(C[N@H+]2CCC[C@H]2CCCO)COC1 ZINC000359995060 445519296 /nfs/dbraw/zinc/51/92/96/445519296.db2.gz XMSIVOVSLXXOKW-ROUUACIJSA-N 2 0 340.508 1.477 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357220877 445489817 /nfs/dbraw/zinc/48/98/17/445489817.db2.gz AFGHTFWJWUXXNE-YJBOKZPZSA-N 2 0 333.476 1.668 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000357226327 445491834 /nfs/dbraw/zinc/49/18/34/445491834.db2.gz OVMZJMNITPPJTD-YKDOHLLJSA-N 2 0 325.497 1.613 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000357235692 445498188 /nfs/dbraw/zinc/49/81/88/445498188.db2.gz DMJUEPWBFLNQKU-SFHVURJKSA-N 3 0 330.476 1.193 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H](C)C3C[NH2+]C3)CC2)c1 ZINC000357241201 445501690 /nfs/dbraw/zinc/50/16/90/445501690.db2.gz MVHIBPHOSJKQPS-KRWDZBQOSA-N 2 0 344.503 1.479 20 0 EDADRP [NH3+]C[C@H](C(=O)NC[C@@H]1[NH2+]CCc2ccccc21)c1ccc(F)cc1 ZINC000357241851 445502444 /nfs/dbraw/zinc/50/24/44/445502444.db2.gz OCZFPOACMBYGLW-ROUUACIJSA-N 2 0 327.403 1.871 20 0 EDADRP CC[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000352851111 445559331 /nfs/dbraw/zinc/55/93/31/445559331.db2.gz AFVNDWVCTUYDKL-MOPGFXCFSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000349251176 445547091 /nfs/dbraw/zinc/54/70/91/445547091.db2.gz IKGKRUXMKFAFFM-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353435559 445600617 /nfs/dbraw/zinc/60/06/17/445600617.db2.gz WQYWPGVVXPULLC-DLBZAZTESA-N 2 0 337.508 1.914 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000360169055 445608961 /nfs/dbraw/zinc/60/89/61/445608961.db2.gz CHCPLIVLAVXZHB-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N(C)C[C@@H]1C[C@@H](OC)C[NH+]1C ZINC000358165733 445609411 /nfs/dbraw/zinc/60/94/11/445609411.db2.gz OMJHXJOYECRTIZ-HRCADAONSA-N 2 0 328.501 1.467 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507000 445623288 /nfs/dbraw/zinc/62/32/88/445623288.db2.gz MLRQPOZBTYWMGR-IAGOWNOFSA-N 2 0 337.508 1.773 20 0 EDADRP CSC1(CNC(=O)N[C@H](C)C2=CC[N@H+](C)CC2)CC[NH+](C)CC1 ZINC000357910708 445592879 /nfs/dbraw/zinc/59/28/79/445592879.db2.gz CGRYYXPPHPMXOH-CQSZACIVSA-N 2 0 340.537 1.763 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000353425852 445595790 /nfs/dbraw/zinc/59/57/90/445595790.db2.gz HYVJPMWWWJLNPU-SJORKVTESA-N 2 0 337.508 1.773 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000353625552 445681758 /nfs/dbraw/zinc/68/17/58/445681758.db2.gz BLQZYQOUGYSUOJ-INMHGKMJSA-N 2 0 325.497 1.852 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000349859064 445702167 /nfs/dbraw/zinc/70/21/67/445702167.db2.gz SXZBDZJQXLKQCM-OAHLLOKOSA-N 2 0 340.512 1.022 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCN(CCCOCC(F)(F)F)CC1 ZINC000358601061 445668871 /nfs/dbraw/zinc/66/88/71/445668871.db2.gz YBLKUBRHLOXUMH-UHFFFAOYSA-N 2 0 339.402 1.441 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)CC1 ZINC000358714987 445736639 /nfs/dbraw/zinc/73/66/39/445736639.db2.gz YLLPECXAFUSKKK-GOSISDBHSA-N 2 0 340.512 1.110 20 0 EDADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000360911835 445738917 /nfs/dbraw/zinc/73/89/17/445738917.db2.gz GRTRUIWJUSAPPF-NEWSRXKRSA-N 2 0 349.519 1.699 20 0 EDADRP C[C@H](CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+](C)C1CC1 ZINC000361506142 445793723 /nfs/dbraw/zinc/79/37/23/445793723.db2.gz XYQRJNKNWKVHDH-OAHLLOKOSA-N 2 0 338.496 1.365 20 0 EDADRP Cc1c[nH]cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353881873 445796089 /nfs/dbraw/zinc/79/60/89/445796089.db2.gz OJLRGLHKBNVXEZ-UHFFFAOYSA-N 2 0 327.432 1.660 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC2(C)C)C1 ZINC000350286299 445807179 /nfs/dbraw/zinc/80/71/79/445807179.db2.gz LPDLANKTHPSPSP-HZPDHXFCSA-N 2 0 325.497 1.580 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000354054700 445877559 /nfs/dbraw/zinc/87/75/59/445877559.db2.gz UULCXIVIWFJRAI-OAHLLOKOSA-N 2 0 345.447 1.232 20 0 EDADRP COCCN1CCC([NH2+][C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359022533 445893690 /nfs/dbraw/zinc/89/36/90/445893690.db2.gz CFMJUEFGHLCLRJ-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350949830 445955688 /nfs/dbraw/zinc/95/56/88/445955688.db2.gz LLAKIYNRPOXTIW-CQSZACIVSA-N 2 0 346.475 1.647 20 0 EDADRP CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000361799132 445956464 /nfs/dbraw/zinc/95/64/64/445956464.db2.gz PKKXJVGAJMSFIB-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)N(C)CC)CC1 ZINC000359135205 445973105 /nfs/dbraw/zinc/97/31/05/445973105.db2.gz DOLMNGOAONCZJF-UHFFFAOYSA-N 2 0 332.492 1.787 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)c1=O ZINC000365091876 446018670 /nfs/dbraw/zinc/01/86/70/446018670.db2.gz GMQNTJJXMCNYKQ-BFYDXBDKSA-N 2 0 347.507 1.550 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000582964997 325969920 /nfs/dbraw/zinc/96/99/20/325969920.db2.gz IZYXPIPSSMTYSR-GJZGRUSLSA-N 2 0 348.491 1.387 20 0 EDADRP COC[C@H](C)OC[C@@H](O)CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000373148742 446059420 /nfs/dbraw/zinc/05/94/20/446059420.db2.gz YXUJZZHGBMHUMA-FHWLQOOXSA-N 2 0 342.524 1.987 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000583932761 326168015 /nfs/dbraw/zinc/16/80/15/326168015.db2.gz IKAWVBRRMWDYMR-QAPCUYQASA-N 2 0 330.476 1.986 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000373192727 446088610 /nfs/dbraw/zinc/08/86/10/446088610.db2.gz WANBEVVFQGANJD-FHWLQOOXSA-N 2 0 344.503 1.895 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000359254912 446090641 /nfs/dbraw/zinc/09/06/41/446090641.db2.gz VFHMOMKOJZLEST-HRCADAONSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000369402806 446117409 /nfs/dbraw/zinc/11/74/09/446117409.db2.gz SLPXWHAEVHFPKM-QZWWFDLISA-N 2 0 338.496 1.269 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000365406992 446192739 /nfs/dbraw/zinc/19/27/39/446192739.db2.gz XSDCTVMQCDTGMY-MRXNPFEDSA-N 2 0 332.448 1.530 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000373367590 446184549 /nfs/dbraw/zinc/18/45/49/446184549.db2.gz CJYRRJKMXNZGIW-GOSISDBHSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000373367591 446184726 /nfs/dbraw/zinc/18/47/26/446184726.db2.gz CJYRRJKMXNZGIW-SFHVURJKSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381093 446185678 /nfs/dbraw/zinc/18/56/78/446185678.db2.gz BKKZFGJJSNXAKW-CABCVRRESA-N 2 0 336.480 1.118 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)CCO1 ZINC000359381097 446185967 /nfs/dbraw/zinc/18/59/67/446185967.db2.gz BKKZFGJJSNXAKW-GJZGRUSLSA-N 2 0 336.480 1.118 20 0 EDADRP COCC[NH2+][C@H](C)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000359381903 446186710 /nfs/dbraw/zinc/18/67/10/446186710.db2.gz SPIXDJOLZCGSHK-CQSZACIVSA-N 2 0 343.493 1.214 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CCCCC1)N1CCC[C@H]([NH+](C)C)CC1 ZINC000365404056 446190775 /nfs/dbraw/zinc/19/07/75/446190775.db2.gz OGRGJMJMMREWNB-HOCLYGCPSA-N 2 0 338.496 1.950 20 0 EDADRP COC1(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[NH2+]CC1 ZINC000366329149 446156310 /nfs/dbraw/zinc/15/63/10/446156310.db2.gz XCSYJTYQVPONMS-KRWDZBQOSA-N 2 0 346.475 1.178 20 0 EDADRP OC1(CN2CCOCC2)CC[NH+](CCCOc2ccccc2)CC1 ZINC000359517885 446271746 /nfs/dbraw/zinc/27/17/46/446271746.db2.gz YCECBWPRQGIJHN-UHFFFAOYSA-N 2 0 334.460 1.615 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c(=O)n1C ZINC000370533704 446321825 /nfs/dbraw/zinc/32/18/25/446321825.db2.gz ASLCWZHORNGWLL-BMGDILEWSA-N 2 0 333.476 1.673 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)[C@H]3CCCNC3=O)CC2)CC1 ZINC000362364169 446335388 /nfs/dbraw/zinc/33/53/88/446335388.db2.gz HABLHFBTIRKRCK-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000417362449 446348600 /nfs/dbraw/zinc/34/86/00/446348600.db2.gz LGABWOCSUZZEGG-OAHLLOKOSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074301 446351188 /nfs/dbraw/zinc/35/11/88/446351188.db2.gz JOJGTOQYJLEIOG-AWEZNQCLSA-N 2 0 338.496 1.807 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417516990 446360169 /nfs/dbraw/zinc/36/01/69/446360169.db2.gz ICNYTMNWXWLCGP-MRXNPFEDSA-N 2 0 338.496 1.463 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417516989 446360380 /nfs/dbraw/zinc/36/03/80/446360380.db2.gz ICNYTMNWXWLCGP-INIZCTEOSA-N 2 0 338.496 1.463 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C1 ZINC000365837514 446364072 /nfs/dbraw/zinc/36/40/72/446364072.db2.gz LQMOYTSXAUYEKN-OAHLLOKOSA-N 2 0 348.495 2.003 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000417543533 446364200 /nfs/dbraw/zinc/36/42/00/446364200.db2.gz LJFYWQXMAQTISI-CRAIPNDOSA-N 2 0 347.507 1.184 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417548472 446364366 /nfs/dbraw/zinc/36/43/66/446364366.db2.gz VTNUKDCBVSYEBK-MRXNPFEDSA-N 2 0 339.528 1.173 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417667869 446369655 /nfs/dbraw/zinc/36/96/55/446369655.db2.gz HUJNDANRKUARGL-TWMKSMIVSA-N 2 0 340.512 1.421 20 0 EDADRP C[NH+](C)CC1(NC(=O)C2CC[NH+](Cc3cccnc3)CC2)CCC1 ZINC000366845344 446378913 /nfs/dbraw/zinc/37/89/13/446378913.db2.gz MRXHNBZQJXYWAX-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000370691672 446389322 /nfs/dbraw/zinc/38/93/22/446389322.db2.gz QFLPFWDAEKBLFI-GOSISDBHSA-N 2 0 327.513 1.263 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000417363522 446349410 /nfs/dbraw/zinc/34/94/10/446349410.db2.gz MFYYRCQRVOYPNA-MRXNPFEDSA-N 2 0 334.464 1.650 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117238 446429643 /nfs/dbraw/zinc/42/96/43/446429643.db2.gz UJKFFVRLZVQTHU-NXEZZACHSA-N 2 0 337.848 1.473 20 0 EDADRP O=C(Cc1cn2ccccc2n1)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000370771280 446430076 /nfs/dbraw/zinc/43/00/76/446430076.db2.gz HVFZCZAVUBTNHQ-WBVHZDCISA-N 2 0 342.443 1.494 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418072561 446431370 /nfs/dbraw/zinc/43/13/70/446431370.db2.gz KRXMSHJTUUMVNV-SJLPKXTDSA-N 2 0 348.491 1.432 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CN[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423124189 446431636 /nfs/dbraw/zinc/43/16/36/446431636.db2.gz MFUXFTVSLIPJJA-RTBURBONSA-N 2 0 348.491 1.269 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000431792646 446433710 /nfs/dbraw/zinc/43/37/10/446433710.db2.gz WOGYEPGCAXKFMH-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP CC[C@@H](NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000423130225 446434363 /nfs/dbraw/zinc/43/43/63/446434363.db2.gz GFNORDDHXXBFIC-VAMGGRTRSA-N 2 0 331.504 1.916 20 0 EDADRP COCC[C@]1(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000370779951 446438099 /nfs/dbraw/zinc/43/80/99/446438099.db2.gz MMMOJTAMJVTIOI-ZIFCJYIRSA-N 2 0 339.524 1.877 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@]3(F)CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000370783262 446440110 /nfs/dbraw/zinc/44/01/10/446440110.db2.gz XLRHABOLQMTZRY-KHYOSLBOSA-N 2 0 349.450 1.614 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420282680 446449732 /nfs/dbraw/zinc/44/97/32/446449732.db2.gz BAEUMHJHUBFLKO-MSOLQXFVSA-N 3 0 334.508 1.711 20 0 EDADRP C[NH2+]C1CCN([C@@H](C)C(=O)NCc2ccc(C(=O)OC)cc2)CC1 ZINC000420286294 446451187 /nfs/dbraw/zinc/45/11/87/446451187.db2.gz FFENOVINEHSABO-ZDUSSCGKSA-N 2 0 333.432 1.162 20 0 EDADRP Cc1cc(C)c(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)n1 ZINC000411145993 446409726 /nfs/dbraw/zinc/40/97/26/446409726.db2.gz DGTISEFYLHRDPA-LSDHHAIUSA-N 2 0 330.432 1.688 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000418009941 446414769 /nfs/dbraw/zinc/41/47/69/446414769.db2.gz IWGOQGMFWNANAJ-CGTJXYLNSA-N 2 0 330.476 1.900 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000418020498 446417370 /nfs/dbraw/zinc/41/73/70/446417370.db2.gz NKRZHJJAYVOZCY-ZWKOTPCHSA-N 2 0 348.491 1.481 20 0 EDADRP C[NH2+]CCNC(=O)NC[C@@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000418031134 446420312 /nfs/dbraw/zinc/42/03/12/446420312.db2.gz KNDPMPDDSNJTTJ-ZDUSSCGKSA-N 2 0 332.370 1.827 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3CC[C@H]([NH3+])C3)CC2)cc1 ZINC000420292739 446456680 /nfs/dbraw/zinc/45/66/80/446456680.db2.gz MCKSLDUZNIATSE-SFHVURJKSA-N 2 0 330.476 1.062 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)cc1 ZINC000420295519 446456932 /nfs/dbraw/zinc/45/69/32/446456932.db2.gz PKSANHWWIHBONK-UONOGXRCSA-N 2 0 347.459 1.537 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCc2cccc3cccnc32)CC1 ZINC000420294233 446457206 /nfs/dbraw/zinc/45/72/06/446457206.db2.gz OBWPQJYDRBNMRS-UHFFFAOYSA-N 2 0 340.471 1.825 20 0 EDADRP C[C@@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000423227298 446459481 /nfs/dbraw/zinc/45/94/81/446459481.db2.gz VFERKRIXOVVIAU-KGLIPLIRSA-N 2 0 341.477 1.095 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000423307607 446481332 /nfs/dbraw/zinc/48/13/32/446481332.db2.gz HJVWOPVNKSOFPI-INIZCTEOSA-N 2 0 333.432 1.179 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423273950 446470911 /nfs/dbraw/zinc/47/09/11/446470911.db2.gz LMTIPRTYBCAXSS-CXAGYDPISA-N 2 0 337.489 1.691 20 0 EDADRP O=C(CN1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000420310499 446473665 /nfs/dbraw/zinc/47/36/65/446473665.db2.gz VCIYSQKAAGKVAU-OAHLLOKOSA-N 2 0 334.439 1.381 20 0 EDADRP C[N@H+](CCCCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1CC1 ZINC000418263224 446476648 /nfs/dbraw/zinc/47/66/48/446476648.db2.gz JKNWYBUZGXCZLJ-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C[C@H](C)O1 ZINC000423301918 446479634 /nfs/dbraw/zinc/47/96/34/446479634.db2.gz IRANSAMEEZRLIP-QLFBSQMISA-N 2 0 349.479 1.106 20 0 EDADRP O=C1[C@@H]([NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)CCCN1CC(F)(F)F ZINC000420315448 446480021 /nfs/dbraw/zinc/48/00/21/446480021.db2.gz MGKRMFOUUIOORX-KGLIPLIRSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCCC[C@H]1C ZINC000423318626 446486382 /nfs/dbraw/zinc/48/63/82/446486382.db2.gz CRDALENAVAJSHU-KFWWJZLASA-N 2 0 333.480 1.869 20 0 EDADRP Cn1ccnc1C[N@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000420321071 446487571 /nfs/dbraw/zinc/48/75/71/446487571.db2.gz ZJXUOIKHDMBYJL-SJORKVTESA-N 3 0 331.508 1.754 20 0 EDADRP COCCN1[C@H](C)CN(C(=O)[C@@]2([NH+](C)C)CCCSC2)C[C@H]1C ZINC000367059349 446494136 /nfs/dbraw/zinc/49/41/36/446494136.db2.gz DZTMEKFMEHJHOE-BFYDXBDKSA-N 2 0 343.537 1.381 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000423338410 446494914 /nfs/dbraw/zinc/49/49/14/446494914.db2.gz RMWAYKUFMMUBAT-UHFFFAOYSA-N 2 0 345.487 1.578 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000423339471 446495201 /nfs/dbraw/zinc/49/52/01/446495201.db2.gz VDQDAOKNBYKVEO-UHFFFAOYSA-N 2 0 330.436 1.721 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]C1 ZINC000423364030 446501258 /nfs/dbraw/zinc/50/12/58/446501258.db2.gz YVPTVIQUJMTQGF-LJQANCHMSA-N 2 0 337.508 1.727 20 0 EDADRP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420333689 446502813 /nfs/dbraw/zinc/50/28/13/446502813.db2.gz FPBDVDKQFWSHOF-CABCVRRESA-N 2 0 347.459 1.964 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H](C)C[NH2+]C)CC1 ZINC000418354587 446512490 /nfs/dbraw/zinc/51/24/90/446512490.db2.gz DYPOHHDQTNWZIE-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1)c1ccccc1 ZINC000420341856 446512838 /nfs/dbraw/zinc/51/28/38/446512838.db2.gz QLXNFLRYLIIHGL-FGTMMUONSA-N 2 0 330.476 1.089 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418361458 446515158 /nfs/dbraw/zinc/51/51/58/446515158.db2.gz KYBCWHLJSGIAFO-SZMVWBNQSA-N 2 0 348.491 1.024 20 0 EDADRP C[NH2+]CCN(C)CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000420342811 446515764 /nfs/dbraw/zinc/51/57/64/446515764.db2.gz YDISWNJYZYXCLZ-UHFFFAOYSA-N 2 0 332.492 1.181 20 0 EDADRP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418325711 446498786 /nfs/dbraw/zinc/49/87/86/446498786.db2.gz JYDZWRKUZQSPRX-IAGOWNOFSA-N 2 0 339.528 1.184 20 0 EDADRP O=C(CC[NH+]1CCC(N2CCc3ccccc32)CC1)N1CC[NH2+]CC1 ZINC000420383309 446558932 /nfs/dbraw/zinc/55/89/32/446558932.db2.gz ZEPMMKOMIKSEIH-UHFFFAOYSA-N 2 0 342.487 1.335 20 0 EDADRP CC1CCC(N(C)C(=O)C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000420382325 446559232 /nfs/dbraw/zinc/55/92/32/446559232.db2.gz AGGZLXFXMRWXQF-HIEASXQVSA-N 2 0 349.519 1.724 20 0 EDADRP COc1ccc(CN2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2=O)cc1 ZINC000420382131 446559341 /nfs/dbraw/zinc/55/93/41/446559341.db2.gz YJGYEFFLVNHMOO-MRXNPFEDSA-N 2 0 331.460 1.729 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3cccc(OC)c3)CC2)CC1 ZINC000411476755 446561011 /nfs/dbraw/zinc/56/10/11/446561011.db2.gz VKBDBUDRXGHTQF-UHFFFAOYSA-N 2 0 331.460 1.874 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418483296 446561319 /nfs/dbraw/zinc/56/13/19/446561319.db2.gz ZAPGLGOSIOKVRT-FJIDUMEYSA-N 2 0 346.475 1.048 20 0 EDADRP COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420344857 446517571 /nfs/dbraw/zinc/51/75/71/446517571.db2.gz UVUNNZHXCGROKJ-NVXWUHKLSA-N 2 0 331.460 1.633 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000423409283 446521430 /nfs/dbraw/zinc/52/14/30/446521430.db2.gz BPBKBMDFHVIVEW-AEFFLSMTSA-N 2 0 337.508 1.901 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000418388608 446524859 /nfs/dbraw/zinc/52/48/59/446524859.db2.gz QIUUCYLDLQVYEA-KRWDZBQOSA-N 2 0 339.528 1.170 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]1[NH2+]CCOc1cccc(S(C)(=O)=O)c1 ZINC000420352837 446531943 /nfs/dbraw/zinc/53/19/43/446531943.db2.gz AYDKPCOKWUUUDS-HNNXBMFYSA-N 2 0 326.462 1.447 20 0 EDADRP Cc1ccncc1CCC[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000367369812 446539265 /nfs/dbraw/zinc/53/92/65/446539265.db2.gz ICEFKUWLWDZSDY-CRAIPNDOSA-N 2 0 330.432 1.633 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418422693 446540168 /nfs/dbraw/zinc/54/01/68/446540168.db2.gz BIJDPUWPBVVBCU-PMPSAXMXSA-N 2 0 326.485 1.288 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000433168576 446540888 /nfs/dbraw/zinc/54/08/88/446540888.db2.gz NPWYMEBWDXEGBV-QGZVFWFLSA-N 2 0 346.475 1.682 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000420376249 446553507 /nfs/dbraw/zinc/55/35/07/446553507.db2.gz QFHPRKXABZWRPJ-VMXMFDLUSA-N 2 0 343.515 1.866 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000418600350 446610251 /nfs/dbraw/zinc/61/02/51/446610251.db2.gz JLUZZKIBYIWYKS-HZPDHXFCSA-N 3 0 327.517 1.042 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)c1 ZINC000418603888 446611492 /nfs/dbraw/zinc/61/14/92/446611492.db2.gz XATKQNNLAFKFMB-YJBOKZPZSA-N 2 0 348.491 1.766 20 0 EDADRP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420403974 446576377 /nfs/dbraw/zinc/57/63/77/446576377.db2.gz LVNDHCMRXXHKOB-QWHCGFSZSA-N 2 0 339.867 1.691 20 0 EDADRP CN(C(=O)NC[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418530978 446583328 /nfs/dbraw/zinc/58/33/28/446583328.db2.gz VVMLDURHFWNCLU-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418538664 446584807 /nfs/dbraw/zinc/58/48/07/446584807.db2.gz DWKXBYFVHBMIGW-WBVHZDCISA-N 2 0 333.480 1.815 20 0 EDADRP C[N@@H+]1CC[C@@H](NC[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000420412186 446586294 /nfs/dbraw/zinc/58/62/94/446586294.db2.gz SFAGLULTZJMERI-WOZUAGRISA-N 2 0 339.483 1.952 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000418659589 446639177 /nfs/dbraw/zinc/63/91/77/446639177.db2.gz XOHDQWINGLQWDI-RVKKMQEKSA-N 2 0 348.491 1.345 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H](C)CCCC[NH3+])CC[N@@H+]1CCOC ZINC000418678131 446645961 /nfs/dbraw/zinc/64/59/61/446645961.db2.gz VEIDWFCUINHBOP-HOTGVXAUSA-N 2 0 328.501 1.646 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418737681 446661062 /nfs/dbraw/zinc/66/10/62/446661062.db2.gz YKZPPQVZEAUIGA-PMPSAXMXSA-N 2 0 326.485 1.256 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC3(CCOCC3)[C@H]2C)CC1 ZINC000375242946 446664996 /nfs/dbraw/zinc/66/49/96/446664996.db2.gz SBWZOVXRRZFHPO-MRXNPFEDSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418751841 446671703 /nfs/dbraw/zinc/67/17/03/446671703.db2.gz RZIUOLRBAKZKQX-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000423739751 446671755 /nfs/dbraw/zinc/67/17/55/446671755.db2.gz HXIQTAFHTIVINX-ROUUACIJSA-N 2 0 336.524 1.395 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000368155862 446674619 /nfs/dbraw/zinc/67/46/19/446674619.db2.gz RFWSJFLHSXHJOT-SZMVWBNQSA-N 2 0 331.460 1.486 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000371090273 446621881 /nfs/dbraw/zinc/62/18/81/446621881.db2.gz WUETYFZWHTZVGO-KSSFIOAISA-N 2 0 328.460 1.957 20 0 EDADRP Cc1cc(NC[C@@H]2C[C@H](F)CN2c2ccnc(N(C)C)n2)cc[nH+]1 ZINC000368174927 446686331 /nfs/dbraw/zinc/68/63/31/446686331.db2.gz HVBMDESBTJWGAL-ZFWWWQNUSA-N 2 0 330.411 1.697 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418776397 446694165 /nfs/dbraw/zinc/69/41/65/446694165.db2.gz XHYXCBGMQVAKHV-JYJNAYRXSA-N 2 0 326.485 1.175 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418790241 446703616 /nfs/dbraw/zinc/70/36/16/446703616.db2.gz MSMAKNKGUKJVGW-QGZVFWFLSA-N 2 0 340.512 1.663 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000423836690 446723929 /nfs/dbraw/zinc/72/39/29/446723929.db2.gz AKQNAHHMSKBMRY-QYZOEREBSA-N 2 0 345.487 1.782 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCN1CCN(CC[NH+]2CCCOCC2)CC1 ZINC000375337586 446731277 /nfs/dbraw/zinc/73/12/77/446731277.db2.gz SXTKTKGDYSPIME-IBGZPJMESA-N 2 0 338.540 1.201 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000368168043 446682561 /nfs/dbraw/zinc/68/25/61/446682561.db2.gz RMOIOFUACKWXIX-MRXNPFEDSA-N 2 0 326.485 1.079 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@H]([NH2+]C)C1)c1ccccc1 ZINC000418840954 446745414 /nfs/dbraw/zinc/74/54/14/446745414.db2.gz FTFWTYXEZGKCII-DLBZAZTESA-N 2 0 346.475 1.006 20 0 EDADRP COCC[C@@H]1COCC[NH+]1CCCC[N@H+]1CCOC[C@H]1CCOC ZINC000368283185 446758906 /nfs/dbraw/zinc/75/89/06/446758906.db2.gz WDYMQTSRXVFNFP-QZTJIDSGSA-N 2 0 344.496 1.241 20 0 EDADRP Cc1cn2c(n1)CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC2 ZINC000375380714 446759869 /nfs/dbraw/zinc/75/98/69/446759869.db2.gz QCXQGXPHANQXBO-QGZVFWFLSA-N 2 0 341.459 1.426 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)[NH+](C)C)cc1 ZINC000418864410 446760204 /nfs/dbraw/zinc/76/02/04/446760204.db2.gz QKYGZLAWGSUSDU-IAGOWNOFSA-N 2 0 348.491 1.067 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000418871058 446764249 /nfs/dbraw/zinc/76/42/49/446764249.db2.gz ZIBJJVJYMYETHW-IRXDYDNUSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000412032998 446795955 /nfs/dbraw/zinc/79/59/55/446795955.db2.gz IDCJJUYUBSSRNI-QFHJOOASSA-N 2 0 345.487 1.468 20 0 EDADRP C[C@H](NC(=O)[C@H]([NH3+])C1CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423886042 446743667 /nfs/dbraw/zinc/74/36/67/446743667.db2.gz ZOYNIUBHPPXDHZ-ZYSHUDEJSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)n1cccn1 ZINC000424041030 446830858 /nfs/dbraw/zinc/83/08/58/446830858.db2.gz SHXXGHIZGXZIKA-INIZCTEOSA-N 2 0 341.459 1.554 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424072226 446839774 /nfs/dbraw/zinc/83/97/74/446839774.db2.gz CWLAAYXFIGQQTR-OAHLLOKOSA-N 2 0 333.480 1.349 20 0 EDADRP C[N@H+](CCCCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C1CC1 ZINC000418985759 446848705 /nfs/dbraw/zinc/84/87/05/446848705.db2.gz FUBYDYTVSXGXPV-INIZCTEOSA-N 2 0 338.496 1.001 20 0 EDADRP CC1(C[NH+]2CCOCC2)CC[NH+](C[C@H]2CC3(CCC3)C(=O)O2)CC1 ZINC000377015876 446861230 /nfs/dbraw/zinc/86/12/30/446861230.db2.gz TTYAKRCEIHUVRI-MRXNPFEDSA-N 2 0 336.476 1.907 20 0 EDADRP CS(=O)(=O)CCCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385920 446869185 /nfs/dbraw/zinc/86/91/85/446869185.db2.gz WYDLTJKVUJLFLC-DOTOQJQBSA-N 2 0 338.473 1.657 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000377031559 446872964 /nfs/dbraw/zinc/87/29/64/446872964.db2.gz KAWAQQQIXSXEFK-IEBWSBKVSA-N 3 0 337.556 1.418 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[NH+]2CCC1CC2 ZINC000368496651 446898380 /nfs/dbraw/zinc/89/83/80/446898380.db2.gz QPMYCNSEGVTKTH-INIZCTEOSA-N 2 0 332.448 1.906 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000377082377 446909488 /nfs/dbraw/zinc/90/94/88/446909488.db2.gz NDEBVHBVUVCDHU-LNLFQRSKSA-N 2 0 336.524 1.645 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419096415 446922064 /nfs/dbraw/zinc/92/20/64/446922064.db2.gz CGDSQTWBTRRFGK-OAGGEKHMSA-N 2 0 338.496 1.095 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C(=O)NCC[NH+]1CCCCC1 ZINC000412325176 446936829 /nfs/dbraw/zinc/93/68/29/446936829.db2.gz WYTVFBAXNXRWME-CABCVRRESA-N 2 0 340.512 1.260 20 0 EDADRP CCn1nccc1CC[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420975894 446947371 /nfs/dbraw/zinc/94/73/71/446947371.db2.gz GFXNSLSHBQUNSU-UHFFFAOYSA-N 2 0 333.524 1.938 20 0 EDADRP C[N@@H+]1CCCN(C(=O)c2ccccc2NC(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000372108819 447005696 /nfs/dbraw/zinc/00/56/96/447005696.db2.gz UFZCQBXKAQHQQT-GJZGRUSLSA-N 2 0 344.459 1.530 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000419215359 447014130 /nfs/dbraw/zinc/01/41/30/447014130.db2.gz OHOJTLBPUJNFIP-GJZGRUSLSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000454859317 446987751 /nfs/dbraw/zinc/98/77/51/446987751.db2.gz NLUTURGYBFIOPE-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP CCOCc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443059055 447000400 /nfs/dbraw/zinc/00/04/00/447000400.db2.gz LTWMHHRMGUOWLS-KRWDZBQOSA-N 2 0 333.476 1.900 20 0 EDADRP C[C@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461179 447062385 /nfs/dbraw/zinc/06/23/85/447062385.db2.gz ZQWKNNZLFFARFR-OALUTQOASA-N 2 0 338.540 1.199 20 0 EDADRP CC[C@@H]1C[C@H]1CNC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000455346144 447114385 /nfs/dbraw/zinc/11/43/85/447114385.db2.gz HRWWNNSKPIFGLA-WXCOAYGQSA-N 2 0 334.508 1.985 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](CC)C2)[C@@H](C)C1 ZINC000413300667 447125120 /nfs/dbraw/zinc/12/51/20/447125120.db2.gz VOJOWTLGULMHFY-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C(=O)[C@@H]1C[C@@]12CC[NH2+]C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000444185457 447092385 /nfs/dbraw/zinc/09/23/85/447092385.db2.gz QINIMGJWAYSRHZ-AZUAARDMSA-N 2 0 342.487 1.547 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC3(CCOCC3)C2)CC1 ZINC000375889520 447124111 /nfs/dbraw/zinc/12/41/11/447124111.db2.gz KCBQBZCLGJTGRA-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000372587980 447166820 /nfs/dbraw/zinc/16/68/20/447166820.db2.gz XLPMYOUXBKYEGW-CQSZACIVSA-N 2 0 347.463 1.212 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000419394740 447148762 /nfs/dbraw/zinc/14/87/62/447148762.db2.gz AJJSTXOKUPATDV-HZPDHXFCSA-N 2 0 348.491 1.345 20 0 EDADRP Cn1cc([C@H]2[C@H](C[N@H+](C)C[C@H]3CC4(CC4)C(=O)O3)CCCN2C)cn1 ZINC000375939824 447163230 /nfs/dbraw/zinc/16/32/30/447163230.db2.gz BSXQWHJGVLZWOC-USXIJHARSA-N 2 0 346.475 1.831 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3C[C@]34CC[NH2+]C4)ccc2oc1=O ZINC000368813223 447127025 /nfs/dbraw/zinc/12/70/25/447127025.db2.gz DKZUIBQVJNPKFA-UGSOOPFHSA-N 2 0 344.415 1.094 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NCC[NH+](C)Cc1ccccc1 ZINC000419445471 447181750 /nfs/dbraw/zinc/18/17/50/447181750.db2.gz URIOLKVZIOUDAW-IAGOWNOFSA-N 2 0 348.491 1.215 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[NH+](C)Cc2ccccc2)[C@@H](C)C[N@@H+]1CCO ZINC000419445477 447182314 /nfs/dbraw/zinc/18/23/14/447182314.db2.gz URIOLKVZIOUDAW-SJORKVTESA-N 2 0 348.491 1.215 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CC[C@H]3CC[NH+](C)C[C@H]32)CCCO1 ZINC000368892581 447184289 /nfs/dbraw/zinc/18/42/89/447184289.db2.gz BZGLJIIWXKFTQE-BRWVUGGUSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1noc(C)c1C ZINC000455676474 447206855 /nfs/dbraw/zinc/20/68/55/447206855.db2.gz UQTLCLZCHBVBET-OAHLLOKOSA-N 2 0 337.468 2.171 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1O ZINC000377617686 447247330 /nfs/dbraw/zinc/24/73/30/447247330.db2.gz BDEQBQDUXXOOKS-KRWDZBQOSA-N 2 0 333.476 1.860 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)CC1 ZINC000425550844 447225441 /nfs/dbraw/zinc/22/54/41/447225441.db2.gz IVNIESUZAWVNIK-FUHWJXTLSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000376098621 447268715 /nfs/dbraw/zinc/26/87/15/447268715.db2.gz QKSSRWUUPPWPAZ-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000419875305 447464860 /nfs/dbraw/zinc/46/48/60/447464860.db2.gz DVYDTHUZWDJCEU-HOTGVXAUSA-N 2 0 340.512 1.071 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000458840101 447488272 /nfs/dbraw/zinc/48/82/72/447488272.db2.gz JKYOMOCRWWYUJC-QGZVFWFLSA-N 2 0 338.496 1.369 20 0 EDADRP O=C1C[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCCN1 ZINC000390841867 447502769 /nfs/dbraw/zinc/50/27/69/447502769.db2.gz DAXNGKZGFOPUNJ-GOSISDBHSA-N 2 0 330.476 1.063 20 0 EDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCCC[NH2+]1 ZINC000390996127 447508519 /nfs/dbraw/zinc/50/85/19/447508519.db2.gz LHDTYSBDJKUGJE-IBGZPJMESA-N 2 0 344.503 1.453 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[NH+](C)C ZINC000459039990 447548594 /nfs/dbraw/zinc/54/85/94/447548594.db2.gz KTUQFUGXLDNPKU-ZDUSSCGKSA-N 2 0 342.434 1.988 20 0 EDADRP O=C1CC[C@@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890616 447606454 /nfs/dbraw/zinc/60/64/54/447606454.db2.gz VYQVRHQSCKXOOY-QRVBRYPASA-N 2 0 327.472 1.967 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC2(CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000416839141 447694815 /nfs/dbraw/zinc/69/48/15/447694815.db2.gz JKONWYDZUOZNAT-SFHVURJKSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@@H]1CN(CCN2CC[NH+](C3CC3)C[C@@H](C)C2)CC[N@@H+](C2CC2)C1 ZINC000451091894 447679899 /nfs/dbraw/zinc/67/98/99/447679899.db2.gz KNEJWLRNRQDADV-HDICACEKSA-N 2 0 334.552 1.819 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC2(CC[NH2+]2)CC1)c1ccccc1 ZINC000422639998 447684170 /nfs/dbraw/zinc/68/41/70/447684170.db2.gz UIHPFUZTQVRFGW-KRWDZBQOSA-N 2 0 330.476 1.233 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000410064806 447686544 /nfs/dbraw/zinc/68/65/44/447686544.db2.gz ZKDJOVSFUPETGM-ULQDDVLXSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000416941211 447717066 /nfs/dbraw/zinc/71/70/66/447717066.db2.gz JRNKDFHGKNXFFU-ZHCJQAHYSA-N 2 0 338.496 1.173 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000416949427 447722660 /nfs/dbraw/zinc/72/26/60/447722660.db2.gz HEDCJPFYNWHXLT-QZTJIDSGSA-N 2 0 347.507 1.258 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC1([NH3+])CCC1)[NH+]1CCOCC1 ZINC000416956577 447726726 /nfs/dbraw/zinc/72/67/26/447726726.db2.gz NCPDHFDBNLUXLI-HNNXBMFYSA-N 2 0 326.485 1.304 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC(C)C)CN(C)C)CC[NH2+]CC1 ZINC000422718504 447727946 /nfs/dbraw/zinc/72/79/46/447727946.db2.gz PVIPKIXDRLCPES-HOTGVXAUSA-N 2 0 327.513 1.874 20 0 EDADRP c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cc(OCCN2CCOCC2)c1 ZINC000422724933 447729821 /nfs/dbraw/zinc/72/98/21/447729821.db2.gz XEBYTSIGHPBYID-SFHVURJKSA-N 2 0 333.476 1.629 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417014790 447730209 /nfs/dbraw/zinc/73/02/09/447730209.db2.gz DYEUZRRAWWADNR-QBPKDAKJSA-N 2 0 340.512 1.502 20 0 EDADRP CC(C)(CNC(=O)N1CCO[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417088680 447734769 /nfs/dbraw/zinc/73/47/69/447734769.db2.gz LLVUSVXVUWFNGQ-KRWDZBQOSA-N 2 0 346.475 1.192 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@H]32)CC1 ZINC000459666443 447735489 /nfs/dbraw/zinc/73/54/89/447735489.db2.gz CDXONRVBZKPGKJ-IAGOWNOFSA-N 2 0 335.492 1.476 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751895 447738286 /nfs/dbraw/zinc/73/82/86/447738286.db2.gz BVNNWUXKMPGABC-DOMZBBRYSA-N 2 0 345.896 1.596 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755782 447740667 /nfs/dbraw/zinc/74/06/67/447740667.db2.gz HATOOXLTHGKUGH-IUODEOHRSA-N 2 0 345.896 1.725 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccccc1C[NH+](CC)CC ZINC000422783180 447749623 /nfs/dbraw/zinc/74/96/23/447749623.db2.gz HEFOTWSRPQGJFD-MSOLQXFVSA-N 2 0 333.476 1.912 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@]2(N(C)C)CCSC2)CC[NH2+]CC1 ZINC000422825221 447761350 /nfs/dbraw/zinc/76/13/50/447761350.db2.gz PJWGPDGOYQYLDF-GOEBONIOSA-N 2 0 343.537 1.335 20 0 EDADRP CO[C@@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C12CCC2 ZINC000451850961 447762417 /nfs/dbraw/zinc/76/24/17/447762417.db2.gz MEKJZDHVTFVHMM-DLBZAZTESA-N 2 0 335.492 1.619 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471853167 447815746 /nfs/dbraw/zinc/81/57/46/447815746.db2.gz YZCJHZKIFSEGMA-JKSUJKDBSA-N 2 0 332.448 1.244 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422848117 447768219 /nfs/dbraw/zinc/76/82/19/447768219.db2.gz SLSMVIRPVOIDJJ-KRWDZBQOSA-N 2 0 348.491 1.069 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2CCCC[NH+]2CCO)C1 ZINC000458323312 447769647 /nfs/dbraw/zinc/76/96/47/447769647.db2.gz GTNRQGXDIAWIQC-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP O=C(CCC[NH2+]C1CC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000422915192 447771281 /nfs/dbraw/zinc/77/12/81/447771281.db2.gz XNZCYQGKQNWZEU-UHFFFAOYSA-N 2 0 330.476 1.457 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422953147 447779462 /nfs/dbraw/zinc/77/94/62/447779462.db2.gz DLDYYEMFMPMUDV-JSGCOSHPSA-N 2 0 340.265 1.896 20 0 EDADRP C(N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1)C1([NH+]2CCCCC2)CCOCC1 ZINC000422959413 447780799 /nfs/dbraw/zinc/78/07/99/447780799.db2.gz RXIZOZQQIGLKGH-ROUUACIJSA-N 2 0 337.508 1.378 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2nnn(C3CC[NH2+]CC3)c2C)C[C@@H]1C ZINC000430800443 447786238 /nfs/dbraw/zinc/78/62/38/447786238.db2.gz QYLSGTJCHBSGNM-BBRMVZONSA-N 2 0 348.495 1.456 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000430928938 447787751 /nfs/dbraw/zinc/78/77/51/447787751.db2.gz VUZJELZSMKAVJB-GFCCVEGCSA-N 2 0 336.411 1.794 20 0 EDADRP CCCC[C@H](C(=O)Nc1cc(C)on1)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431043613 447790963 /nfs/dbraw/zinc/79/09/63/447790963.db2.gz RLRIKRMCTPTEHH-OAHLLOKOSA-N 2 0 334.464 2.556 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1S(N)(=O)=O ZINC000423019137 447792529 /nfs/dbraw/zinc/79/25/29/447792529.db2.gz UDUFDSOCQPGKSR-UONOGXRCSA-N 2 0 341.477 1.135 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(CC(C)C)C(C)C)CC1 ZINC000451994503 447797554 /nfs/dbraw/zinc/79/75/54/447797554.db2.gz VWIYSVZTIPDTCX-UHFFFAOYSA-N 2 0 340.556 1.885 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])s1 ZINC000423104989 447806132 /nfs/dbraw/zinc/80/61/32/447806132.db2.gz HYJOPRZJSHEBDV-NOOOWODRSA-N 2 0 325.482 1.781 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000489573953 447864929 /nfs/dbraw/zinc/86/49/29/447864929.db2.gz QNVPVNZDGYVQEK-RLFYNMQTSA-N 2 0 334.508 1.985 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000569904894 447912663 /nfs/dbraw/zinc/91/26/63/447912663.db2.gz GPPJJXYXZQFGIO-SFHVURJKSA-N 2 0 345.491 1.782 20 0 EDADRP COc1ccccc1CN(C)C(=O)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000569847281 447905637 /nfs/dbraw/zinc/90/56/37/447905637.db2.gz JIHJOFTUADZTAO-LJQANCHMSA-N 2 0 331.460 1.729 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1 ZINC000575982718 447942596 /nfs/dbraw/zinc/94/25/96/447942596.db2.gz KNQUEUMQIVUYTN-CABCVRRESA-N 2 0 331.416 1.443 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](Cc2cnn(CC(F)(F)F)c2)CC12CCOCC2 ZINC000569971997 447929177 /nfs/dbraw/zinc/92/91/77/447929177.db2.gz QJPJXGIJNMBLMX-ZDUSSCGKSA-N 2 0 332.370 1.633 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000530678266 447938578 /nfs/dbraw/zinc/93/85/78/447938578.db2.gz BAPMOLHYKUEIQP-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C12CCC[NH+]1CCC2 ZINC000576113361 447976388 /nfs/dbraw/zinc/97/63/88/447976388.db2.gz HMFQOUCPXKDZRR-UHFFFAOYSA-N 2 0 330.476 1.990 20 0 EDADRP C[C@@H]1[N@H+](CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CCC12CCOCC2 ZINC000497223046 447977496 /nfs/dbraw/zinc/97/74/96/447977496.db2.gz RTYBIEKIMAGMBD-KXBFYZLASA-N 2 0 349.475 1.752 20 0 EDADRP Cc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c2c(n1)onc2C(C)C ZINC000576105670 447973405 /nfs/dbraw/zinc/97/34/05/447973405.db2.gz LQQZVSVSMMYHRI-LBPRGKRZSA-N 2 0 331.420 1.370 20 0 EDADRP Cn1cc([C@@H]2CN(Cc3cn(C)nc3-c3cccnc3)C[C@H]2[NH3+])cn1 ZINC000570272046 447974362 /nfs/dbraw/zinc/97/43/62/447974362.db2.gz JMUYHYHGZJGBAX-DLBZAZTESA-N 2 0 337.431 1.142 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1C[C@H]2OCCN(C)[C@H]2C1 ZINC000576321796 448025256 /nfs/dbraw/zinc/02/52/56/448025256.db2.gz YCOBELAJWWQWBS-YESZJQIVSA-N 2 0 338.496 1.221 20 0 EDADRP CCn1ccnc1CN(C(=O)CC1(C[NH3+])CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570451411 448017612 /nfs/dbraw/zinc/01/76/12/448017612.db2.gz MEASBAZLJSLORE-OAHLLOKOSA-N 2 0 345.491 1.503 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3C[N@@H+]4CCN3CCC4)ccc21 ZINC000570902898 448079850 /nfs/dbraw/zinc/07/98/50/448079850.db2.gz CFBUIIFKRAORHH-ZWKOTPCHSA-N 2 0 328.460 1.564 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)C[N@@H+]1C1CC1 ZINC000531484977 448092404 /nfs/dbraw/zinc/09/24/04/448092404.db2.gz MLGIQDGYNMMSPP-BFYDXBDKSA-N 2 0 338.496 1.004 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1)[NH+](CC)CC ZINC000502583966 448102963 /nfs/dbraw/zinc/10/29/63/448102963.db2.gz BFWVHIVBXUWKPH-ULQDDVLXSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000576492613 448068651 /nfs/dbraw/zinc/06/86/51/448068651.db2.gz OGWPOWLEZYQUFL-RHSMWYFYSA-N 2 0 331.464 1.595 20 0 EDADRP CC(=O)Nc1cccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1C ZINC000526942548 448122271 /nfs/dbraw/zinc/12/22/71/448122271.db2.gz BUNFOMOOIZBUFR-UHFFFAOYSA-N 2 0 334.464 1.519 20 0 EDADRP CN(CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)Cc1ccccc1 ZINC000497057184 448162848 /nfs/dbraw/zinc/16/28/48/448162848.db2.gz NAKZMEZLLXZPFI-UHFFFAOYSA-N 2 0 349.479 1.757 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C[C@H]1CC ZINC000514788930 448204185 /nfs/dbraw/zinc/20/41/85/448204185.db2.gz APDDGDRYQIGLIA-MJGOQNOKSA-N 2 0 345.487 1.833 20 0 EDADRP CN1CCO[C@H](CNC(=O)C[C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000514794965 448205238 /nfs/dbraw/zinc/20/52/38/448205238.db2.gz FXNSZYJEDPDNLY-CVEARBPZSA-N 2 0 328.416 1.379 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc(C2CC2)cs1 ZINC000527126731 448165222 /nfs/dbraw/zinc/16/52/22/448165222.db2.gz QQLGCVZJABIMLP-UHFFFAOYSA-N 2 0 325.482 1.978 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N2CCCC2)nc1 ZINC000527127100 448165830 /nfs/dbraw/zinc/16/58/30/448165830.db2.gz OQIGPHNSXICEPP-UHFFFAOYSA-N 2 0 348.495 1.639 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCc2ccc(F)c(F)c2)CC1 ZINC000577216397 448239125 /nfs/dbraw/zinc/23/91/25/448239125.db2.gz MCXUPPRWBYFQHW-INIZCTEOSA-N 2 0 341.446 1.485 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000532195260 448215137 /nfs/dbraw/zinc/21/51/37/448215137.db2.gz ZJYDRNSYAIGNEE-UHFFFAOYSA-N 2 0 337.430 1.840 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000577368005 448277644 /nfs/dbraw/zinc/27/76/44/448277644.db2.gz HDCZNDHRXDXDLB-ICSRJNTNSA-N 2 0 344.503 1.481 20 0 EDADRP CC(C)C[N@H+](CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000532477395 448264133 /nfs/dbraw/zinc/26/41/33/448264133.db2.gz DMKGDUAMJZCSCO-QGZVFWFLSA-N 2 0 327.513 1.826 20 0 EDADRP COc1ccc(OC)c(/C=C\C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000492804361 448298452 /nfs/dbraw/zinc/29/84/52/448298452.db2.gz HNGWGEUAAASJLR-YFHOEESVSA-N 2 0 349.475 1.669 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000515378153 448303872 /nfs/dbraw/zinc/30/38/72/448303872.db2.gz NKAKMSLPHBRGIH-CABCVRRESA-N 2 0 334.468 1.024 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc3cccnc3o2)(N2CCOCC2)CC1 ZINC000582832653 448351057 /nfs/dbraw/zinc/35/10/57/448351057.db2.gz DHKYEIDKBQXEJR-UHFFFAOYSA-N 2 0 344.459 1.714 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C2CCCCC2)C1 ZINC000527768069 448356513 /nfs/dbraw/zinc/35/65/13/448356513.db2.gz DLOVZWXBSZTNOE-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NC(=O)Nc1ccccc1 ZINC000591446798 448365548 /nfs/dbraw/zinc/36/55/48/448365548.db2.gz HBTLBYQRAKYORX-INIZCTEOSA-N 2 0 330.432 1.799 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000582963187 448391532 /nfs/dbraw/zinc/39/15/32/448391532.db2.gz ORCGOGFSLGFUFN-CVEARBPZSA-N 2 0 340.512 1.694 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000577887879 448412273 /nfs/dbraw/zinc/41/22/73/448412273.db2.gz YXYHLZBRZWYRGG-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)C[NH+]1CCCC1 ZINC000572713949 448445067 /nfs/dbraw/zinc/44/50/67/448445067.db2.gz OJKIPCXRWMLHPO-HUUCEWRRSA-N 2 0 336.432 1.477 20 0 EDADRP C[C@H]1C[C@H](CC[NH2+]CCC(=O)NC(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000591757048 448482028 /nfs/dbraw/zinc/48/20/28/448482028.db2.gz TXAQEWMQXBCXSG-HOCLYGCPSA-N 2 0 332.448 1.462 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C2CC2)c1 ZINC000528334888 448490448 /nfs/dbraw/zinc/49/04/48/448490448.db2.gz KXDAQLJGTITYFE-QGZVFWFLSA-N 2 0 333.480 1.706 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)c2)CC1 ZINC000572971140 448510492 /nfs/dbraw/zinc/51/04/92/448510492.db2.gz XDZGICCLEJRDFX-CRAIPNDOSA-N 2 0 345.491 1.948 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)[C@@H](C[NH3+])C1 ZINC000573073447 448535049 /nfs/dbraw/zinc/53/50/49/448535049.db2.gz CORIHUZVMNFLNE-BFYDXBDKSA-N 2 0 332.448 1.021 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H]3C)cc2)CC1 ZINC000566676095 448535580 /nfs/dbraw/zinc/53/55/80/448535580.db2.gz RVUOZEKDHKHADT-APWZRJJASA-N 2 0 344.503 1.438 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000573092465 448540869 /nfs/dbraw/zinc/54/08/69/448540869.db2.gz RQLOWNAMCBUSRC-SZMVWBNQSA-N 2 0 345.491 1.106 20 0 EDADRP CC(C)c1nc(NC[C@@H]2[NH2+]CCc3ccccc32)nc(N(C)C)n1 ZINC000517542556 448590909 /nfs/dbraw/zinc/59/09/09/448590909.db2.gz LEQKOEBIEQVPQR-HNNXBMFYSA-N 2 0 326.448 2.360 20 0 EDADRP CC(C)CN(C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)C1CC[NH+](C)CC1 ZINC000517568823 448594060 /nfs/dbraw/zinc/59/40/60/448594060.db2.gz BAZPPPYAMXOBBY-OAHLLOKOSA-N 2 0 348.495 1.223 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000518032339 448640837 /nfs/dbraw/zinc/64/08/37/448640837.db2.gz UZWXLGDOECLMAT-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[C@H](C)[NH3+])[C@H](C)C1 ZINC000584783031 448631406 /nfs/dbraw/zinc/63/14/06/448631406.db2.gz JJDFDFQPFMCHFF-LTIDMASMSA-N 2 0 327.513 1.859 20 0 EDADRP CN(CCC[NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000518499129 448685380 /nfs/dbraw/zinc/68/53/80/448685380.db2.gz MQRWZGQEBFRDDA-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP C[C@@H](C[NH2+]CCc1ccc(OCC[NH+](C)C)cc1)S(C)(=O)=O ZINC000573794327 448713434 /nfs/dbraw/zinc/71/34/34/448713434.db2.gz FQYMCDHBQACBIS-AWEZNQCLSA-N 2 0 328.478 1.192 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1)[C@H]1CCC[NH2+]C1 ZINC000579110077 448717118 /nfs/dbraw/zinc/71/71/18/448717118.db2.gz PSNMUKHGNSEJPF-SPUZQDLCSA-N 2 0 337.508 1.757 20 0 EDADRP CCN(C(=O)CN1CCC[C@@H](n2cc(C[NH3+])nn2)C1)C1CCCCC1 ZINC000573669568 448684470 /nfs/dbraw/zinc/68/44/70/448684470.db2.gz CCJRNVQCGFCSJE-QGZVFWFLSA-N 2 0 348.495 1.555 20 0 EDADRP COc1cc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc2c1OCO2 ZINC000518492277 448684914 /nfs/dbraw/zinc/68/49/14/448684914.db2.gz LSAPKNLQJPOEPE-CABCVRRESA-N 2 0 346.427 1.624 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000567638996 448728738 /nfs/dbraw/zinc/72/87/38/448728738.db2.gz GVAOBSCVBIAAQR-GRYCIOLGSA-N 2 0 327.881 1.915 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC(CC[NH3+])CC1 ZINC000573855474 448730599 /nfs/dbraw/zinc/73/05/99/448730599.db2.gz IQYIFMPCPJMLOU-UHFFFAOYSA-N 2 0 348.491 1.897 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000579211652 448739225 /nfs/dbraw/zinc/73/92/25/448739225.db2.gz BWFZCZAIECDPRD-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3CCCC[C@@]3(C)[NH3+])nc2)CC1 ZINC000567780463 448761072 /nfs/dbraw/zinc/76/10/72/448761072.db2.gz RDDYDHCJYFRZNA-MAUKXSAKSA-N 2 0 331.464 1.680 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000567990336 448795141 /nfs/dbraw/zinc/79/51/41/448795141.db2.gz VHQSSVLMSXIASA-UHFFFAOYSA-N 3 0 330.520 1.736 20 0 EDADRP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@@H]3C2)c2ccccc12 ZINC000519703261 448824355 /nfs/dbraw/zinc/82/43/55/448824355.db2.gz FCSOCRUEZDFXDC-PBHICJAKSA-N 2 0 325.412 1.592 20 0 EDADRP O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000574324400 448845693 /nfs/dbraw/zinc/84/56/93/448845693.db2.gz LXJTUHCKLKEHKA-HZPDHXFCSA-N 2 0 326.444 1.718 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCCCC1 ZINC000529328779 448827245 /nfs/dbraw/zinc/82/72/45/448827245.db2.gz GTVWMIWPEQMWOA-MRXNPFEDSA-N 2 0 338.496 1.448 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568194919 448834149 /nfs/dbraw/zinc/83/41/49/448834149.db2.gz WYYMQMJFLSRBHV-UHFFFAOYSA-N 2 0 345.447 1.767 20 0 EDADRP CN1CCN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)[C@H](C[NH3+])C1 ZINC000519754423 448836391 /nfs/dbraw/zinc/83/63/91/448836391.db2.gz ISMKKBCNNGIGBR-IAGOWNOFSA-N 3 0 337.512 1.068 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336847 448848076 /nfs/dbraw/zinc/84/80/76/448848076.db2.gz JUYPYJQDRZQRKS-CVEARBPZSA-N 2 0 344.459 1.567 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000568458515 448871857 /nfs/dbraw/zinc/87/18/57/448871857.db2.gz JBENENXEPDWKJU-BHYGNILZSA-N 2 0 340.512 1.392 20 0 EDADRP CC[NH2+]CCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000579814594 448883357 /nfs/dbraw/zinc/88/33/57/448883357.db2.gz WQAQBUARYRFHTH-UHFFFAOYSA-N 2 0 328.526 1.647 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ncccc1OC ZINC000547469458 448884540 /nfs/dbraw/zinc/88/45/40/448884540.db2.gz ZEVMSTQWVGKTKH-HNNXBMFYSA-N 2 0 349.479 1.970 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN[C@@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000568621591 448896483 /nfs/dbraw/zinc/89/64/83/448896483.db2.gz WIIASXPFEKSZGX-YFHUEUNASA-N 2 0 325.497 1.063 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000574548935 448902169 /nfs/dbraw/zinc/90/21/69/448902169.db2.gz YDBOAGOXOBCJTG-XZVLQNKUSA-N 2 0 342.487 1.660 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000574580962 448908290 /nfs/dbraw/zinc/90/82/90/448908290.db2.gz HOPFRVMLWUKTSD-LZLYRXPVSA-N 2 0 333.863 1.855 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000579948942 448918687 /nfs/dbraw/zinc/91/86/87/448918687.db2.gz INFHLCAFLCMFSC-QLFBSQMISA-N 2 0 337.430 1.553 20 0 EDADRP O=C([C@H]1CCCCC[NH2+]1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000521046513 448950535 /nfs/dbraw/zinc/95/05/35/448950535.db2.gz XKLMAMSKDCNMFU-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000569298532 448994861 /nfs/dbraw/zinc/99/48/61/448994861.db2.gz UORZVNQLJRSSAF-UHFFFAOYSA-N 2 0 341.544 1.243 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ocnc1-c1ccccc1 ZINC000569306435 448997289 /nfs/dbraw/zinc/99/72/89/448997289.db2.gz UVCKIWWVHFITJE-UHFFFAOYSA-N 2 0 330.432 1.907 20 0 EDADRP Cc1cn2c(n1)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000574967562 448999280 /nfs/dbraw/zinc/99/92/80/448999280.db2.gz QIXXZWQHGFKTSA-JKSUJKDBSA-N 2 0 349.479 1.215 20 0 EDADRP Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000574967561 448999333 /nfs/dbraw/zinc/99/93/33/448999333.db2.gz QIXXZWQHGFKTSA-HZPDHXFCSA-N 2 0 349.479 1.215 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592955560 449074913 /nfs/dbraw/zinc/07/49/13/449074913.db2.gz AANMNVIMVYXULK-CVEARBPZSA-N 2 0 347.507 1.961 20 0 EDADRP CSC1(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC[NH+](C)CC1 ZINC000589614770 449040118 /nfs/dbraw/zinc/04/01/18/449040118.db2.gz GDGJWDVWTZAVPH-CQSZACIVSA-N 2 0 342.553 1.843 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2csc(C(C)(C)C)n2)CC1 ZINC000582236266 449044459 /nfs/dbraw/zinc/04/44/59/449044459.db2.gz KOLCIXLDCRHLRV-HNNXBMFYSA-N 2 0 340.537 1.181 20 0 EDADRP C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@@H]1CC[NH3+] ZINC000593730817 449165046 /nfs/dbraw/zinc/16/50/46/449165046.db2.gz HLLAMUXFXKZCQD-WDEREUQCSA-N 2 0 338.374 1.214 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NC[C@@H]3CCC[N@H+](CC4CC4)C3)c21 ZINC000595991761 449300441 /nfs/dbraw/zinc/30/04/41/449300441.db2.gz JYTYSPPTPVLTSY-JKSUJKDBSA-N 2 0 345.491 1.571 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602095137 449340119 /nfs/dbraw/zinc/34/01/19/449340119.db2.gz DGLQKAXZYKNJPQ-QZTJIDSGSA-N 2 0 334.508 1.242 20 0 EDADRP Cc1csc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000607232480 449588603 /nfs/dbraw/zinc/58/86/03/449588603.db2.gz BMJXMJNWWOPHSB-UHFFFAOYSA-N 2 0 327.498 1.129 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(CCOC)s3)C2)CC1 ZINC000602466781 449612782 /nfs/dbraw/zinc/61/27/82/449612782.db2.gz WXSAYJOYWFRTJT-HNNXBMFYSA-N 2 0 338.521 1.544 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602469257 449615213 /nfs/dbraw/zinc/61/52/13/449615213.db2.gz SHEHKLXMUUFHOR-CMJOXMDJSA-N 2 0 343.537 1.258 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000617507895 449658836 /nfs/dbraw/zinc/65/88/36/449658836.db2.gz NVPPDXIGCKIJJD-HNNXBMFYSA-N 2 0 335.496 1.145 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)c21 ZINC000602537060 449659519 /nfs/dbraw/zinc/65/95/19/449659519.db2.gz MXSVJJDRGRIVCO-YQQAZPJKSA-N 2 0 339.443 1.205 20 0 EDADRP C[NH+](C)C1(C(=O)NCc2ccc(OC3CC[NH+](C)CC3)cc2)CC1 ZINC000614597043 449702712 /nfs/dbraw/zinc/70/27/12/449702712.db2.gz JCKQGCACGPLGAU-UHFFFAOYSA-N 2 0 331.460 1.870 20 0 EDADRP COC(=O)c1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)on1 ZINC000602707058 449761892 /nfs/dbraw/zinc/76/18/92/449761892.db2.gz IYBVKXANPWMKAC-UHFFFAOYSA-N 2 0 344.415 1.858 20 0 EDADRP C[C@@H](CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000617753949 449818474 /nfs/dbraw/zinc/81/84/74/449818474.db2.gz MNEUDTUDCNJKAU-INIZCTEOSA-N 2 0 332.492 1.504 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+](CC3CC3)C2)C1 ZINC000594954217 449819234 /nfs/dbraw/zinc/81/92/34/449819234.db2.gz RTRPOXKRZFQYAZ-IAGOWNOFSA-N 2 0 338.496 1.127 20 0 EDADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000597187606 449863338 /nfs/dbraw/zinc/86/33/38/449863338.db2.gz RNXGNBVOJKUOIU-KRWDZBQOSA-N 2 0 343.427 1.658 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@]2(C)CC[NH2+]C2)CC1 ZINC000612897731 449932880 /nfs/dbraw/zinc/93/28/80/449932880.db2.gz RZTBNMJZOUDDHS-RDTXWAMCSA-N 2 0 331.464 1.658 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612897730 449932892 /nfs/dbraw/zinc/93/28/92/449932892.db2.gz RZTBNMJZOUDDHS-KSSFIOAISA-N 2 0 331.464 1.658 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@]2(C)CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000612861656 449914251 /nfs/dbraw/zinc/91/42/51/449914251.db2.gz AAVVIYDPCFTRCR-HKUYNNGSSA-N 2 0 346.475 1.883 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@]1(C)CC[NH2+]C1)[NH+]1CCOCC1 ZINC000612866094 449917253 /nfs/dbraw/zinc/91/72/53/449917253.db2.gz MOWSIMDGEDEBGW-WBVHZDCISA-N 2 0 326.485 1.175 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612977579 449968462 /nfs/dbraw/zinc/96/84/62/449968462.db2.gz PUTZVAHCGMJIIJ-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)Cn1cnc2c1CCCC2 ZINC000615271359 450034660 /nfs/dbraw/zinc/03/46/60/450034660.db2.gz WGRDLDPBOGRYFP-IRXDYDNUSA-N 2 0 332.448 1.084 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000615308925 450056691 /nfs/dbraw/zinc/05/66/91/450056691.db2.gz OWEKTFHTZSPRSN-VQIMIIECSA-N 2 0 344.503 1.599 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000618554280 450241683 /nfs/dbraw/zinc/24/16/83/450241683.db2.gz KQEFPCHQCGCWBW-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3cccc4n[nH]cc43)cn2)CC1 ZINC000623352754 450503823 /nfs/dbraw/zinc/50/38/23/450503823.db2.gz MFFWIMQJDGQKDM-UHFFFAOYSA-N 2 0 336.443 2.000 20 0 EDADRP C[C@@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000620970304 450567082 /nfs/dbraw/zinc/56/70/82/450567082.db2.gz OHSZGTJNSUSFSQ-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000635071832 450622853 /nfs/dbraw/zinc/62/28/53/450622853.db2.gz YAIILKBGQCJFJB-RBUKOAKNSA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H](C[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000633073422 450659580 /nfs/dbraw/zinc/65/95/80/450659580.db2.gz VRUGHRSIUSPKJH-KRWDZBQOSA-N 2 0 347.438 1.617 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCCO1 ZINC000623999816 450665360 /nfs/dbraw/zinc/66/53/60/450665360.db2.gz DVEWHUTYJOJMFM-DLBZAZTESA-N 2 0 325.497 1.330 20 0 EDADRP CCO[C@H](C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CC1 ZINC000629542228 450727639 /nfs/dbraw/zinc/72/76/39/450727639.db2.gz CFGZJWGWYXFBTL-BRWVUGGUSA-N 2 0 336.480 1.022 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000631710230 450727360 /nfs/dbraw/zinc/72/73/60/450727360.db2.gz BKMQRLCCWLZCDM-KRWDZBQOSA-N 2 0 339.505 1.695 20 0 EDADRP FC(F)C(F)(F)COCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591830 450752839 /nfs/dbraw/zinc/75/28/39/450752839.db2.gz PFDQVVUVUSDQNZ-CYBMUJFWSA-N 2 0 342.377 1.994 20 0 EDADRP O[C@@H]1CCN(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624229708 450756241 /nfs/dbraw/zinc/75/62/41/450756241.db2.gz AJSWOAAFZSAVKX-XRXFAXGQSA-N 2 0 343.515 1.943 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CC[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621642180 450806630 /nfs/dbraw/zinc/80/66/30/450806630.db2.gz HBHPOKOCVXVXMV-MRXNPFEDSA-N 2 0 336.524 1.441 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CC[C@@H]3CCC[NH2+]C3)nc2)CC1 ZINC000621648512 450812358 /nfs/dbraw/zinc/81/23/58/450812358.db2.gz WUJPRHLECLKBNK-HNNXBMFYSA-N 2 0 331.464 1.552 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000635313237 450837555 /nfs/dbraw/zinc/83/75/55/450837555.db2.gz SPVRLLQSWQTCBL-MRXNPFEDSA-N 2 0 332.492 1.390 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635352910 450876256 /nfs/dbraw/zinc/87/62/56/450876256.db2.gz YQZLBINEHHQAPK-QZTJIDSGSA-N 2 0 344.459 1.025 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635412199 450919511 /nfs/dbraw/zinc/91/95/11/450919511.db2.gz IKEZJGRHLDVMMQ-HZPDHXFCSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000631976713 450935183 /nfs/dbraw/zinc/93/51/83/450935183.db2.gz DWPAFDAAPHOVNW-OAHLLOKOSA-N 2 0 339.505 1.805 20 0 EDADRP C[NH+](C)C[C@H](Nc1nc(N)[nH+]c(N)n1)c1ccc(Cl)c(Cl)c1 ZINC000624641261 450936429 /nfs/dbraw/zinc/93/64/29/450936429.db2.gz NGWWCUQKROHDCT-JTQLQIEISA-N 2 0 342.234 1.140 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)N[C@@H]3CC[C@@H](C)[NH2+]C3)c2C1 ZINC000626888231 450985130 /nfs/dbraw/zinc/98/51/30/450985130.db2.gz JRFIJMQFQBPKHJ-UKRRQHHQSA-N 2 0 344.459 1.607 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000626920848 451004543 /nfs/dbraw/zinc/00/45/43/451004543.db2.gz LBCUAZGUPKQRPQ-OAHLLOKOSA-N 2 0 338.452 1.471 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000626922486 451005943 /nfs/dbraw/zinc/00/59/43/451005943.db2.gz YVSNRENSYWGYLV-CQSZACIVSA-N 2 0 340.493 1.502 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000626922413 451006080 /nfs/dbraw/zinc/00/60/80/451006080.db2.gz WFKXWWMBEAAUMO-GDBMZVCRSA-N 2 0 332.448 1.493 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1cccc(F)c1 ZINC000626922452 451006634 /nfs/dbraw/zinc/00/66/34/451006634.db2.gz XLLUSZHHEQKEIF-HNNXBMFYSA-N 2 0 338.427 1.236 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[C@@H]1C(F)(F)F ZINC000626938237 451019581 /nfs/dbraw/zinc/01/95/81/451019581.db2.gz OFRHJMOPICYGHZ-MQYQWHSLSA-N 2 0 348.413 1.782 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[C@H]1C(F)(F)F ZINC000626938239 451019592 /nfs/dbraw/zinc/01/95/92/451019592.db2.gz OFRHJMOPICYGHZ-YIYPIFLZSA-N 2 0 348.413 1.782 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC000635500679 450995680 /nfs/dbraw/zinc/99/56/80/450995680.db2.gz KMKWXKPLGVEPMV-QGZVFWFLSA-N 2 0 333.476 1.628 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000626992732 451058881 /nfs/dbraw/zinc/05/88/81/451058881.db2.gz CTMCQXFBRBWLFQ-GOEBONIOSA-N 2 0 326.485 1.316 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000635635742 451123304 /nfs/dbraw/zinc/12/33/04/451123304.db2.gz PDMWQTNTHWYJSP-KRWDZBQOSA-N 2 0 337.508 1.535 20 0 EDADRP CC[N@H+](CCCNC(=O)NCC1([NH3+])CCOCC1)C1CCCCC1 ZINC000627109350 451127234 /nfs/dbraw/zinc/12/72/34/451127234.db2.gz UQYJTYIJRJTZNN-UHFFFAOYSA-N 2 0 340.512 1.838 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[NH2+]1 ZINC000627115312 451131794 /nfs/dbraw/zinc/13/17/94/451131794.db2.gz UGVSXRQVBRIUCS-BASLNEPJSA-N 2 0 334.439 1.711 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000635749516 451217283 /nfs/dbraw/zinc/21/72/83/451217283.db2.gz LGQVGXFKONPZNB-NEWSRXKRSA-N 2 0 348.535 1.488 20 0 EDADRP C[C@H](C(=O)NCc1ccc([C@H](C)NC(=O)[C@@H](C)[NH+](C)C)cc1)[NH+](C)C ZINC000635793213 451244010 /nfs/dbraw/zinc/24/40/10/451244010.db2.gz UFSUHNHTUGMGMG-RRFJBIMHSA-N 2 0 348.491 1.380 20 0 EDADRP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094300 451259330 /nfs/dbraw/zinc/25/93/30/451259330.db2.gz ZNMAHDAQLITBBX-HIFRSBDPSA-N 2 0 332.448 1.320 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc([C@H]([NH3+])C3CCOCC3)nn2)C1 ZINC000630590089 451266136 /nfs/dbraw/zinc/26/61/36/451266136.db2.gz SVGVREUOQIEFCN-NVXWUHKLSA-N 2 0 337.468 1.061 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638101022 451266544 /nfs/dbraw/zinc/26/65/44/451266544.db2.gz MEOLZSJJARKEMC-ZWKOTPCHSA-N 2 0 332.492 1.436 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)CC(C)C ZINC000636524246 451266996 /nfs/dbraw/zinc/26/69/96/451266996.db2.gz IEHJFYUMMUTTDN-JKSUJKDBSA-N 2 0 328.501 1.109 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000638103069 451270727 /nfs/dbraw/zinc/27/07/27/451270727.db2.gz YZCIZHDIGLDKBW-OALUTQOASA-N 2 0 344.503 1.533 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638103491 451271069 /nfs/dbraw/zinc/27/10/69/451271069.db2.gz OWIHFCDTMMQPNP-SZVBFZGTSA-N 2 0 331.460 1.534 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000638113528 451281258 /nfs/dbraw/zinc/28/12/58/451281258.db2.gz OZMDIGGULSUEPE-QGZVFWFLSA-N 2 0 329.444 1.825 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638125689 451295793 /nfs/dbraw/zinc/29/57/93/451295793.db2.gz GIAPTFXOAHFYCL-RBUKOAKNSA-N 2 0 346.519 1.779 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638127218 451296737 /nfs/dbraw/zinc/29/67/37/451296737.db2.gz IJGPZGREGSAZBH-LLVKDONJSA-N 2 0 344.410 1.212 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127540 451298940 /nfs/dbraw/zinc/29/89/40/451298940.db2.gz CNXIKYBOQZYNKY-KPFFTGBYSA-N 2 0 345.487 1.924 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638131693 451303135 /nfs/dbraw/zinc/30/31/35/451303135.db2.gz AKPAKLWTXUUIFY-FHLIZLRMSA-N 2 0 330.476 1.045 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000636563322 451305354 /nfs/dbraw/zinc/30/53/54/451305354.db2.gz RTMBFFWGGQLHRV-ZACQAIPSSA-N 2 0 340.512 1.110 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000638137385 451311176 /nfs/dbraw/zinc/31/11/76/451311176.db2.gz JQMWTPOMPBVORZ-MJGOQNOKSA-N 2 0 346.475 1.140 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000638142117 451316589 /nfs/dbraw/zinc/31/65/89/451316589.db2.gz BCDQNSPUIPIACN-DSLXNQLJSA-N 2 0 345.487 1.910 20 0 EDADRP O=C(N[C@H]1Cc2cncn2C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636587630 451327381 /nfs/dbraw/zinc/32/73/81/451327381.db2.gz IAIQBPFBYHUFTN-SJORKVTESA-N 2 0 339.443 1.772 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200083 451351079 /nfs/dbraw/zinc/35/10/79/451351079.db2.gz NTWGPRSTXLQWOB-KBPBESRZSA-N 2 0 345.447 1.303 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)ccc2[nH]c1=O ZINC000638200084 451351643 /nfs/dbraw/zinc/35/16/43/451351643.db2.gz NTWGPRSTXLQWOB-KGLIPLIRSA-N 2 0 345.447 1.303 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000638251044 451382192 /nfs/dbraw/zinc/38/21/92/451382192.db2.gz MEFBRPSLJATNBB-LNLFQRSKSA-N 2 0 345.487 1.803 20 0 EDADRP C[C@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638309593 451422781 /nfs/dbraw/zinc/42/27/81/451422781.db2.gz SEAJZFDLTXYYFM-GOEBONIOSA-N 2 0 339.443 1.576 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]C[C@@H](O)CC2(O)CCOCC2)C1 ZINC000634642131 451433975 /nfs/dbraw/zinc/43/39/75/451433975.db2.gz FLBUNVPSKUPDRN-BBWFWOEESA-N 2 0 328.497 1.237 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000638365620 451463548 /nfs/dbraw/zinc/46/35/48/451463548.db2.gz IXJBQLGAXRYXHR-YOEHRIQHSA-N 2 0 331.460 1.556 20 0 EDADRP O[C@]1(CN[C@@H]2CC[N@H+](CC3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634704984 451481327 /nfs/dbraw/zinc/48/13/27/451481327.db2.gz SQAJAOJNBQLPDW-UXHICEINSA-N 2 0 329.488 1.697 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000634710998 451490140 /nfs/dbraw/zinc/49/01/40/451490140.db2.gz HSNBPNUOEDSZMY-XYJFISCASA-N 2 0 340.508 1.522 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@@H](O)C[NH+]1CCCC1 ZINC000634724051 451504296 /nfs/dbraw/zinc/50/42/96/451504296.db2.gz IUATYCKMSXCCBC-MISYRCLQSA-N 3 0 331.504 1.801 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638419334 451504446 /nfs/dbraw/zinc/50/44/46/451504446.db2.gz HADBNYWEABTUDY-IEBWSBKVSA-N 2 0 346.519 1.682 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638431204 451510816 /nfs/dbraw/zinc/51/08/16/451510816.db2.gz RZDJHTOPPMHYGO-GOSISDBHSA-N 2 0 346.519 1.860 20 0 EDADRP COCC1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000638463072 451528579 /nfs/dbraw/zinc/52/85/79/451528579.db2.gz QXQFHPKFJBVPIG-UHFFFAOYSA-N 2 0 332.492 2.000 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638512487 451552759 /nfs/dbraw/zinc/55/27/59/451552759.db2.gz GOFCOJQLQPEZIU-OALUTQOASA-N 2 0 345.487 1.734 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526774 451558594 /nfs/dbraw/zinc/55/85/94/451558594.db2.gz PRLZTWHIXYWLQH-MRXNPFEDSA-N 2 0 348.491 1.941 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638546977 451571393 /nfs/dbraw/zinc/57/13/93/451571393.db2.gz HYIPYOGAPKPOPF-KFWWJZLASA-N 2 0 341.377 1.687 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000638546133 451571702 /nfs/dbraw/zinc/57/17/02/451571702.db2.gz BEFMFLPIRQMZGL-SNPRPXQTSA-N 2 0 341.377 1.859 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000638560727 451576954 /nfs/dbraw/zinc/57/69/54/451576954.db2.gz XJXFVXXKQPKLAD-YUELXQCFSA-N 2 0 341.377 1.859 20 0 EDADRP C[NH+](C)CC[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C(C)(C)C ZINC000638602309 451600392 /nfs/dbraw/zinc/60/03/92/451600392.db2.gz BLTPJQWLXPOSAP-OAHLLOKOSA-N 2 0 327.494 1.790 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000636238812 451610373 /nfs/dbraw/zinc/61/03/73/451610373.db2.gz RXCMVMKKRJRHBQ-KRWDZBQOSA-N 2 0 337.508 1.583 20 0 EDADRP C[C@H](CC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000638780803 451689625 /nfs/dbraw/zinc/68/96/25/451689625.db2.gz WTSSKKNIRSLDNF-NJAFHUGGSA-N 2 0 337.508 1.629 20 0 EDADRP CC[C@H](C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[NH+](CC)CC ZINC000638783474 451690218 /nfs/dbraw/zinc/69/02/18/451690218.db2.gz MCKRYAGCTLMRHG-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]C[C@H](C(=O)NCC[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1 ZINC000638882731 451718629 /nfs/dbraw/zinc/71/86/29/451718629.db2.gz ZWYCBMITVMDLAP-ROUUACIJSA-N 2 0 329.419 1.944 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000638831144 451704831 /nfs/dbraw/zinc/70/48/31/451704831.db2.gz IVINNRPGFWOSOQ-KGLIPLIRSA-N 2 0 347.381 1.788 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000638834000 451705687 /nfs/dbraw/zinc/70/56/87/451705687.db2.gz BYNFPGFUVQECDP-NXHRZFHOSA-N 2 0 331.460 1.249 20 0 EDADRP CCCCNc1cc(C)[nH+]c(N2CCO[C@@H](CCC[NH+](C)C)C2)n1 ZINC000631375074 451716627 /nfs/dbraw/zinc/71/66/27/451716627.db2.gz FNNRIZOSDUAYAA-INIZCTEOSA-N 2 0 335.496 2.544 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3C[C@H]([NH3+])C[C@@H]3C)cc2)CC1 ZINC000638938955 451740424 /nfs/dbraw/zinc/74/04/24/451740424.db2.gz ZRBKZLPYZCYXJD-DOTOQJQBSA-N 2 0 330.476 1.779 20 0 EDADRP CC(C)[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)ccn1)[NH+]1CCCCC1 ZINC000638985726 451746378 /nfs/dbraw/zinc/74/63/78/451746378.db2.gz FISDDVKPCMHQJQ-GOSISDBHSA-N 2 0 345.491 1.940 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[C@H]3CSCC[NH2+]3)C2)cc1 ZINC000639006795 451751834 /nfs/dbraw/zinc/75/18/34/451751834.db2.gz ZCVYVPWAFCPKRP-SJORKVTESA-N 2 0 333.501 1.781 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639169480 451783887 /nfs/dbraw/zinc/78/38/87/451783887.db2.gz KWKCEJZNKBICNH-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP Cn1ccnc1[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC1 ZINC000639261152 451800485 /nfs/dbraw/zinc/80/04/85/451800485.db2.gz LLAZBWLXPSXASU-QGZVFWFLSA-N 2 0 347.507 1.257 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000651412868 451810553 /nfs/dbraw/zinc/81/05/53/451810553.db2.gz GCKNSJFIQXQGGV-NXHRZFHOSA-N 2 0 337.508 1.534 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)[C@H]1CCOC1 ZINC000639310946 451820736 /nfs/dbraw/zinc/82/07/36/451820736.db2.gz ZNSIOOIUZREJRT-GBESFXJTSA-N 2 0 334.460 1.394 20 0 EDADRP CN(CC[NH+]1CCCC1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641321693 451845247 /nfs/dbraw/zinc/84/52/47/451845247.db2.gz YPLCPBRMNARSHK-UHFFFAOYSA-N 2 0 337.489 1.391 20 0 EDADRP Cc1ccc(C)c(OC[C@H](O)C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c1 ZINC000644562549 451862436 /nfs/dbraw/zinc/86/24/36/451862436.db2.gz YZFIQWXAYPTBAI-GOSISDBHSA-N 2 0 349.519 1.659 20 0 EDADRP CN(CCC(=O)N1CCOC2(CC[NH+](C)CC2)C1)c1cc[nH+]cc1 ZINC000649130641 451864217 /nfs/dbraw/zinc/86/42/17/451864217.db2.gz PEQXWXPLYMYGGX-UHFFFAOYSA-N 2 0 332.448 1.231 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000642439983 451879917 /nfs/dbraw/zinc/87/99/17/451879917.db2.gz UOEBRCCEWYDDLJ-CVEARBPZSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733438 451942441 /nfs/dbraw/zinc/94/24/41/451942441.db2.gz NEGUXNXWIMRXTA-WBVHZDCISA-N 2 0 346.475 1.183 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCOC2)cc1 ZINC000649288496 451963053 /nfs/dbraw/zinc/96/30/53/451963053.db2.gz VHVSVYUVEHWHRA-VQIMIIECSA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)c1 ZINC000649289932 451965994 /nfs/dbraw/zinc/96/59/94/451965994.db2.gz GBGWHXXETIJFGQ-INIZCTEOSA-N 2 0 346.475 1.695 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000649292536 451967520 /nfs/dbraw/zinc/96/75/20/451967520.db2.gz OHWGZUHMFCZGGM-SJLPKXTDSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@H](C)C[NH+]2CCCCC2)cnn1C ZINC000649293850 451969176 /nfs/dbraw/zinc/96/91/76/451969176.db2.gz LTKXOLCRVOMZQV-XYPHTWIQSA-N 2 0 333.480 1.022 20 0 EDADRP [NH3+]Cc1ccc(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)o1 ZINC000649295923 451970694 /nfs/dbraw/zinc/97/06/94/451970694.db2.gz GXWNZFCCGJHJAX-UHFFFAOYSA-N 2 0 329.400 1.947 20 0 EDADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000649305685 451981491 /nfs/dbraw/zinc/98/14/91/451981491.db2.gz ZNXDLCSZCURTRX-KZNAEPCWSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)C1 ZINC000649307550 451985080 /nfs/dbraw/zinc/98/50/80/451985080.db2.gz ZSBZEYORXAOGNU-ZNMIVQPWSA-N 2 0 348.495 1.299 20 0 EDADRP COCCC1(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000649310095 451988354 /nfs/dbraw/zinc/98/83/54/451988354.db2.gz PGKAJIGHMDPLCY-MRXNPFEDSA-N 2 0 325.497 1.629 20 0 EDADRP CC1(OCC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]C1 ZINC000649310564 451988510 /nfs/dbraw/zinc/98/85/10/451988510.db2.gz URRNKPNGYDIDLF-KRWDZBQOSA-N 2 0 331.460 1.046 20 0 EDADRP CC(=O)N1CC[C@]([NH3+])(C(=O)NCC(C)(C)[NH2+][C@H](C)c2ccccc2)C1 ZINC000649322230 452001741 /nfs/dbraw/zinc/00/17/41/452001741.db2.gz HUPKHZFKDFVLPV-AUUYWEPGSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]2C[NH2+]CCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000649321955 452002469 /nfs/dbraw/zinc/00/24/69/452002469.db2.gz ZJCLKTNNSHTKDR-NXHRZFHOSA-N 2 0 331.460 1.392 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(N)CC[NH+](C)C1 ZINC000649345411 452025668 /nfs/dbraw/zinc/02/56/68/452025668.db2.gz ZNPKJQKNNMBQKA-AZUAARDMSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649346065 452027936 /nfs/dbraw/zinc/02/79/36/452027936.db2.gz YDXXEEZIWAXGRC-HOTGVXAUSA-N 2 0 347.459 1.582 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000649351201 452036167 /nfs/dbraw/zinc/03/61/67/452036167.db2.gz ZOHBDONYARQJMF-UHFFFAOYSA-N 2 0 346.519 1.828 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCC[C@H]1CCC[NH2+]1 ZINC000649366049 452044814 /nfs/dbraw/zinc/04/48/14/452044814.db2.gz OYAZZEQHILLITR-GOSISDBHSA-N 2 0 344.503 1.847 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)nc1 ZINC000649374315 452049354 /nfs/dbraw/zinc/04/93/54/452049354.db2.gz JZQRVFQUDROAFK-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094364 452057186 /nfs/dbraw/zinc/05/71/86/452057186.db2.gz ZNJLMGVXRYTPBD-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)CCC[NH3+] ZINC000649410214 452073523 /nfs/dbraw/zinc/07/35/23/452073523.db2.gz ZWAQLUBNGTWLTP-MRXNPFEDSA-N 2 0 332.492 1.436 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417908 452079443 /nfs/dbraw/zinc/07/94/43/452079443.db2.gz NVGTZNROTSXQAD-IRXDYDNUSA-N 3 0 348.535 1.441 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417925 452079696 /nfs/dbraw/zinc/07/96/96/452079696.db2.gz OKPKSSZBEHSIJB-RCCFBDPRSA-N 2 0 336.524 1.251 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000637798525 452089151 /nfs/dbraw/zinc/08/91/51/452089151.db2.gz HSOROXMFIYROTO-HXUWFJFHSA-N 2 0 345.487 1.880 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000637805876 452091788 /nfs/dbraw/zinc/09/17/88/452091788.db2.gz LXFGBXBYAXEIOD-UHFFFAOYSA-N 2 0 334.464 1.036 20 0 EDADRP CC[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637827065 452104321 /nfs/dbraw/zinc/10/43/21/452104321.db2.gz MYODZOJDUAOHFS-PKOBYXMFSA-N 2 0 331.460 1.251 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000637833333 452106549 /nfs/dbraw/zinc/10/65/49/452106549.db2.gz RZEGMGHBCXCMEE-MSOLQXFVSA-N 2 0 326.444 1.262 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@](C)(C[NH3+])C3CC3)ccc2[nH]c1=O ZINC000637841957 452111753 /nfs/dbraw/zinc/11/17/53/452111753.db2.gz NQZFVRQFLFEHLR-SFHVURJKSA-N 2 0 345.447 1.161 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000637860011 452118553 /nfs/dbraw/zinc/11/85/53/452118553.db2.gz JKBHDTGKONXKBF-UGSOOPFHSA-N 2 0 327.428 1.901 20 0 EDADRP CO[C@H](C[NH+]1CCC(C[NH+]2CCOCC2)CC1)C1CCOCC1 ZINC000637904738 452155163 /nfs/dbraw/zinc/15/51/63/452155163.db2.gz GGRHFSWZXQOXOS-GOSISDBHSA-N 2 0 326.481 1.472 20 0 EDADRP CC(C)(C[NH+]1CCC(C[NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000637906750 452156330 /nfs/dbraw/zinc/15/63/30/452156330.db2.gz XWSKOYOAGMYKDM-UHFFFAOYSA-N 2 0 325.497 1.141 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000651939630 452180651 /nfs/dbraw/zinc/18/06/51/452180651.db2.gz LJEFIQUTMKGQNY-CALCHBBNSA-N 2 0 330.476 1.572 20 0 EDADRP CN(c1ccccc1C[NH2+]CC[C@@]1(O)CCOC1)C1CC[NH+](C)CC1 ZINC000651943148 452183085 /nfs/dbraw/zinc/18/30/85/452183085.db2.gz HIFDEIRVZLLTAL-HXUWFJFHSA-N 2 0 347.503 1.848 20 0 EDADRP CO[C@]1(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CCOC1 ZINC000637984700 452228546 /nfs/dbraw/zinc/22/85/46/452228546.db2.gz KQBXJILKBIXJRC-KSZLIROESA-N 2 0 325.497 1.282 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc1 ZINC000647509502 452246527 /nfs/dbraw/zinc/24/65/27/452246527.db2.gz HCTNZSWSRCSWQX-MAUKXSAKSA-N 2 0 346.475 1.561 20 0 EDADRP CC(=O)Nc1ccc(CNC(=O)NCCN(C)CCC[NH+](C)C)cc1 ZINC000663550479 452256621 /nfs/dbraw/zinc/25/66/21/452256621.db2.gz QIIZFQDKXMNVKX-UHFFFAOYSA-N 2 0 349.479 1.328 20 0 EDADRP CC[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)ccc1OC ZINC000643500126 452270621 /nfs/dbraw/zinc/27/06/21/452270621.db2.gz CDNJBKXEJOXGMK-AWEZNQCLSA-N 2 0 325.840 1.821 20 0 EDADRP c1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000647543287 452275596 /nfs/dbraw/zinc/27/55/96/452275596.db2.gz KORXOWFABMDVRM-ROUUACIJSA-N 2 0 340.475 1.933 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[C@H]1F ZINC000659435737 452281717 /nfs/dbraw/zinc/28/17/17/452281717.db2.gz MCYBYFTVZPJAKA-BRWVUGGUSA-N 2 0 334.439 1.904 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000659453135 452301970 /nfs/dbraw/zinc/30/19/70/452301970.db2.gz RCVJEWIBLKPHAO-AWEZNQCLSA-N 2 0 326.485 1.317 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@H]1C[NH3+] ZINC000652121616 452316737 /nfs/dbraw/zinc/31/67/37/452316737.db2.gz POQSMXKNMFFLFN-HZPDHXFCSA-N 2 0 326.485 1.114 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652127266 452323499 /nfs/dbraw/zinc/32/34/99/452323499.db2.gz KGNXBZCBVWBGNA-QLFBSQMISA-N 2 0 340.493 1.356 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000638052977 452330729 /nfs/dbraw/zinc/33/07/29/452330729.db2.gz CQYXWQFDNDIIDN-IBGZPJMESA-N 2 0 333.476 1.900 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCCC[NH+]2CCC(C)CC2)c1 ZINC000638053007 452331567 /nfs/dbraw/zinc/33/15/67/452331567.db2.gz DVQISHKHCLIASY-SFHVURJKSA-N 2 0 333.476 1.803 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652136756 452331623 /nfs/dbraw/zinc/33/16/23/452331623.db2.gz XYXQUPPWINKTJK-YFHUEUNASA-N 2 0 340.512 1.502 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000659480447 452338098 /nfs/dbraw/zinc/33/80/98/452338098.db2.gz LVXBWMVWENAYEC-MORSLUCNSA-N 2 0 346.475 1.880 20 0 EDADRP C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659480421 452339200 /nfs/dbraw/zinc/33/92/00/452339200.db2.gz LQOPPHIAKSVYOH-VHJHTJHASA-N 2 0 342.487 1.948 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000659480441 452339276 /nfs/dbraw/zinc/33/92/76/452339276.db2.gz LVXBWMVWENAYEC-DOPJRALCSA-N 2 0 346.475 1.880 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638062990 452359073 /nfs/dbraw/zinc/35/90/73/452359073.db2.gz KWOSWTSCSKVRJC-FUHWJXTLSA-N 2 0 335.448 1.010 20 0 EDADRP [NH3+]C[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCCOC1 ZINC000638071023 452377419 /nfs/dbraw/zinc/37/74/19/452377419.db2.gz DLYWSIAJWIIRKA-MRXNPFEDSA-N 2 0 341.521 1.220 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000652184175 452380863 /nfs/dbraw/zinc/38/08/63/452380863.db2.gz YWTTTYITMIMTKX-UHFFFAOYSA-N 2 0 334.439 1.958 20 0 EDADRP CC1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]CC1 ZINC000659530648 452392140 /nfs/dbraw/zinc/39/21/40/452392140.db2.gz SXOFYEXHUJTFRY-IAGOWNOFSA-N 2 0 348.466 1.960 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652193739 452392571 /nfs/dbraw/zinc/39/25/71/452392571.db2.gz TZEVVGLZKAQEDR-QAETUUGQSA-N 2 0 340.512 1.643 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000638080081 452395108 /nfs/dbraw/zinc/39/51/08/452395108.db2.gz LEYOKUPHZAAQTO-INIZCTEOSA-N 2 0 339.443 1.577 20 0 EDADRP C[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638079433 452396102 /nfs/dbraw/zinc/39/61/02/452396102.db2.gz DUXJWOPXFNAREK-MJGOQNOKSA-N 2 0 331.460 1.393 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NCCCN2CCOCC2)CC1 ZINC000654346618 452398129 /nfs/dbraw/zinc/39/81/29/452398129.db2.gz UNUZSRYMPXUBHK-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659537634 452398332 /nfs/dbraw/zinc/39/83/32/452398332.db2.gz LVHOMEOQLRRBJF-OAHLLOKOSA-N 2 0 333.480 1.591 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]1 ZINC000659542800 452401370 /nfs/dbraw/zinc/40/13/70/452401370.db2.gz NTERBXDZEXSMAL-MAUKXSAKSA-N 2 0 345.491 1.733 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652209512 452405246 /nfs/dbraw/zinc/40/52/46/452405246.db2.gz NEKNGQRGVSSMKD-RRFJBIMHSA-N 2 0 326.485 1.432 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H]1C[NH3+] ZINC000652219933 452413569 /nfs/dbraw/zinc/41/35/69/452413569.db2.gz PMVSCDSKQMZWER-BRWVUGGUSA-N 2 0 334.464 1.472 20 0 EDADRP C[C@H]1CN(CCNC(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)CO1 ZINC000663678767 452414727 /nfs/dbraw/zinc/41/47/27/452414727.db2.gz SVZZCYCVINVXSN-HOTGVXAUSA-N 2 0 348.491 1.657 20 0 EDADRP C[C@@H]1CO[C@@H](C)CN1CCNC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000663678765 452414896 /nfs/dbraw/zinc/41/48/96/452414896.db2.gz SVZZCYCVINVXSN-CVEARBPZSA-N 2 0 348.491 1.657 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000652222748 452415136 /nfs/dbraw/zinc/41/51/36/452415136.db2.gz WPWTZNVOGDZAQZ-DOTOQJQBSA-N 2 0 348.466 1.947 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659575856 452430021 /nfs/dbraw/zinc/43/00/21/452430021.db2.gz CLOYPYKDDZVOGI-DZOHQFGASA-N 2 0 330.476 1.901 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659580716 452435550 /nfs/dbraw/zinc/43/55/50/452435550.db2.gz DAQSITQMWSIRPI-GVDBMIGSSA-N 2 0 334.439 1.665 20 0 EDADRP CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000659587999 452443510 /nfs/dbraw/zinc/44/35/10/452443510.db2.gz BMGPEDRMVQMEJQ-HZPDHXFCSA-N 2 0 334.439 1.665 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([NH3+])[C@@H]2C)cc1 ZINC000659588340 452444163 /nfs/dbraw/zinc/44/41/63/452444163.db2.gz XUWLQXZXKIEBFZ-MGHWNKPDSA-N 2 0 346.475 1.662 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3[NH2+]CC3(C)C)cc2)CC1 ZINC000645507473 452475277 /nfs/dbraw/zinc/47/52/77/452475277.db2.gz ODQLIARVPKNYMY-GOSISDBHSA-N 2 0 344.503 1.438 20 0 EDADRP CC[NH+]1CCN(c2cnc(N3CC[N@@H+](CC)[C@H](C)C3)cn2)C[C@H]1C ZINC000663744824 452476791 /nfs/dbraw/zinc/47/67/91/452476791.db2.gz QFAZPZCGAQFJIG-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645512471 452480402 /nfs/dbraw/zinc/48/04/02/452480402.db2.gz HVOQVZKHGAQCAJ-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000659624509 452481879 /nfs/dbraw/zinc/48/18/79/452481879.db2.gz VFPHHLBORBSJFZ-DLBZAZTESA-N 2 0 339.528 1.171 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000659633019 452497945 /nfs/dbraw/zinc/49/79/45/452497945.db2.gz AHWHXYWAYGWYEW-APWZRJJASA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661694979 452499485 /nfs/dbraw/zinc/49/94/85/452499485.db2.gz LFXAYZXTFVNBDZ-DLBZAZTESA-N 2 0 343.487 1.531 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)CCO2 ZINC000645545469 452513074 /nfs/dbraw/zinc/51/30/74/452513074.db2.gz SNSZJSBVSNZQDK-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000663784021 452513408 /nfs/dbraw/zinc/51/34/08/452513408.db2.gz LAVSOSOYRVARST-UBDQQSCGSA-N 2 0 346.475 1.138 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NCc3cccs3)C2)C1 ZINC000652345958 452519769 /nfs/dbraw/zinc/51/97/69/452519769.db2.gz PYUFGGZWEUQLFX-LZWOXQAQSA-N 2 0 337.489 1.583 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663790440 452520971 /nfs/dbraw/zinc/52/09/71/452520971.db2.gz BMCWETOUWGAYLK-SJORKVTESA-N 2 0 341.544 1.290 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348476 452522757 /nfs/dbraw/zinc/52/27/57/452522757.db2.gz FKLFFIFYWPSTKN-IPMKNSEASA-N 2 0 345.487 1.830 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347112 452523946 /nfs/dbraw/zinc/52/39/46/452523946.db2.gz RUDGFSBRJVALCC-OTWHNJEPSA-N 2 0 345.487 1.830 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655710785 452529826 /nfs/dbraw/zinc/52/98/26/452529826.db2.gz FGEWLMPGZBQQKA-OALUTQOASA-N 2 0 339.524 1.456 20 0 EDADRP C[C@H]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CS1 ZINC000655775999 452571207 /nfs/dbraw/zinc/57/12/07/452571207.db2.gz GDUZWSHKNNMPMM-JKSUJKDBSA-N 2 0 327.538 1.657 20 0 EDADRP CC(C)([NH3+])CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000645597525 452580581 /nfs/dbraw/zinc/58/05/81/452580581.db2.gz HXUXXOXXYAOMEU-UHFFFAOYSA-N 2 0 332.492 1.832 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2CCCn3nccc32)c1 ZINC000657868599 452581109 /nfs/dbraw/zinc/58/11/09/452581109.db2.gz PJWJTZXSQUQMRO-KRWDZBQOSA-N 2 0 341.459 1.799 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000655805268 452587478 /nfs/dbraw/zinc/58/74/78/452587478.db2.gz FDRMRENMGOINMA-NFAWXSAZSA-N 2 0 325.478 1.586 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721494 452612462 /nfs/dbraw/zinc/61/24/62/452612462.db2.gz GWJXMRYJHROKJN-GJZGRUSLSA-N 2 0 338.496 1.143 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000657927038 452616870 /nfs/dbraw/zinc/61/68/70/452616870.db2.gz XFXVNAAKLHNUPM-FHWLQOOXSA-N 2 0 340.508 1.786 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+](C[C@@H]2CC[NH2+]C2)C(C)C)cc1 ZINC000647884401 452622703 /nfs/dbraw/zinc/62/27/03/452622703.db2.gz LSVBLLIXKLKWDV-SJLPKXTDSA-N 2 0 349.475 1.705 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+]1CCC(C)CC1 ZINC000655911068 452668126 /nfs/dbraw/zinc/66/81/26/452668126.db2.gz ADPWPUUUWFQUBZ-OLZOCXBDSA-N 2 0 338.418 1.932 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCCC[N@@H+]1CCc2ccccc2C1)C(F)(F)F ZINC000655912294 452669274 /nfs/dbraw/zinc/66/92/74/452669274.db2.gz MSEKVIVEUWQTTE-CQSZACIVSA-N 2 0 344.381 1.624 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)C(F)(F)F ZINC000655916623 452677511 /nfs/dbraw/zinc/67/75/11/452677511.db2.gz FHKSIQFOFNMTOT-KGLIPLIRSA-N 2 0 344.381 1.840 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000655921272 452684699 /nfs/dbraw/zinc/68/46/99/452684699.db2.gz NEIPATVCWVQPAG-BNOWGMLFSA-N 2 0 344.381 1.838 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1ccco1 ZINC000655930743 452700460 /nfs/dbraw/zinc/70/04/60/452700460.db2.gz UAUIHQZKXZEFMM-JBLDHEPKSA-N 2 0 336.358 1.898 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971245 452751712 /nfs/dbraw/zinc/75/17/12/452751712.db2.gz XWMZXMOXDVENND-KOWPAETKSA-N 2 0 338.496 1.253 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000655971263 452754508 /nfs/dbraw/zinc/75/45/08/452754508.db2.gz YHKUASHWRVXOJS-VIQHNZTISA-N 2 0 338.496 1.255 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664077242 452770301 /nfs/dbraw/zinc/77/03/01/452770301.db2.gz OXOHYKJIZMAYPT-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@]3(C2)CCC[N@H+](C)C3)cn1 ZINC000652631262 452788281 /nfs/dbraw/zinc/78/82/81/452788281.db2.gz FQGVCDISBCWQHD-KRWDZBQOSA-N 2 0 334.468 1.394 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)C(C)(C)C ZINC000652676734 452825157 /nfs/dbraw/zinc/82/51/57/452825157.db2.gz FSUWXRFNDWHMDR-OAHLLOKOSA-N 2 0 340.512 1.056 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]CC1)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000648115339 452830959 /nfs/dbraw/zinc/83/09/59/452830959.db2.gz NUUDYXZDMDIJQL-SJLPKXTDSA-N 2 0 330.476 1.800 20 0 EDADRP CC(C)[C@@H]([NH3+])CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119201 452835938 /nfs/dbraw/zinc/83/59/38/452835938.db2.gz YCZDUXSAVXISQB-KBPBESRZSA-N 2 0 336.505 1.987 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ncc2cc(Cl)ccn21 ZINC000654732562 452855415 /nfs/dbraw/zinc/85/54/15/452855415.db2.gz BGDCZOHVJNWBEV-UHFFFAOYSA-N 2 0 337.855 1.553 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000645903485 452888739 /nfs/dbraw/zinc/88/87/39/452888739.db2.gz GCPBOXKBRVGVLW-WMZOPIPTSA-N 2 0 330.476 1.091 20 0 EDADRP C[C@@H](O)[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000666482958 452900086 /nfs/dbraw/zinc/90/00/86/452900086.db2.gz SPZZLQLKVPKXBP-APWZRJJASA-N 2 0 334.460 1.743 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3C[C@@H]([NH3+])CCO3)ccc21 ZINC000650723719 452952524 /nfs/dbraw/zinc/95/25/24/452952524.db2.gz SHMMCHXANHADCN-QGTPRVQTSA-N 2 0 329.448 1.829 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201752 452956306 /nfs/dbraw/zinc/95/63/06/452956306.db2.gz YHYCEFGZVWSDPC-OOOWVJFSSA-N 2 0 325.497 1.231 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]([NH3+])CC3CCCCC3)C2)CC1 ZINC000645977976 452966675 /nfs/dbraw/zinc/96/66/75/452966675.db2.gz PIYVNBLSEHZKNA-AEFFLSMTSA-N 2 0 336.524 1.569 20 0 EDADRP CC1CCN(C(=O)C2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)CC1 ZINC000662254016 452982686 /nfs/dbraw/zinc/98/26/86/452982686.db2.gz YMXYBLLWERRTFS-KRWDZBQOSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@]1(C)CC1(F)F ZINC000666597586 452997625 /nfs/dbraw/zinc/99/76/25/452997625.db2.gz AIPWELIQBBPWDW-OAHLLOKOSA-N 2 0 334.455 1.947 20 0 EDADRP c1ccc(-n2nnnc2CC[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000662291742 453013949 /nfs/dbraw/zinc/01/39/49/453013949.db2.gz JOXGGBFIKONXQD-QGZVFWFLSA-N 2 0 340.475 1.916 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNS(=O)(=O)c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662311278 453030664 /nfs/dbraw/zinc/03/06/64/453030664.db2.gz AOXIMMSGUIQWKC-NVXWUHKLSA-N 2 0 339.505 1.804 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000654923367 453038995 /nfs/dbraw/zinc/03/89/95/453038995.db2.gz MRVREXDDBQIUDF-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP c1c(C2CC[NH+](C[C@H]3CNCCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326884 453045588 /nfs/dbraw/zinc/04/55/88/453045588.db2.gz GFANPMGAOQUIBM-MRXNPFEDSA-N 2 0 333.480 1.045 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)([NH+](C)C)C1 ZINC000666690757 453067598 /nfs/dbraw/zinc/06/75/98/453067598.db2.gz FYWJNWLVTRVYMQ-LIRRHRJNSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139277 453070622 /nfs/dbraw/zinc/07/06/22/453070622.db2.gz QUYCMEFVYJBXPL-CALCHBBNSA-N 2 0 326.529 1.053 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662386373 453094122 /nfs/dbraw/zinc/09/41/22/453094122.db2.gz FTSHNZVSDTUAAW-OAGGEKHMSA-N 2 0 347.507 1.975 20 0 EDADRP O=C([C@@H]1C[NH2+]Cc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000646087610 453096443 /nfs/dbraw/zinc/09/64/43/453096443.db2.gz FNBUTOIIZXBUGJ-CRAIPNDOSA-N 2 0 329.444 1.054 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000666753420 453117940 /nfs/dbraw/zinc/11/79/40/453117940.db2.gz VZVMOLJWFZODSY-KRWDZBQOSA-N 2 0 341.544 1.290 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000666754705 453119069 /nfs/dbraw/zinc/11/90/69/453119069.db2.gz RVBTUGFTYHGYHD-IKGGRYGDSA-N 2 0 340.512 1.203 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000655015137 453135542 /nfs/dbraw/zinc/13/55/42/453135542.db2.gz ZBDYYWASDSLTIW-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000666785495 453146397 /nfs/dbraw/zinc/14/63/97/453146397.db2.gz BGIUHCIJPKUDNH-HOCLYGCPSA-N 2 0 332.448 1.973 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000646139498 453148827 /nfs/dbraw/zinc/14/88/27/453148827.db2.gz WDVBYNVFHARXGT-HOTGVXAUSA-N 2 0 339.867 1.828 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662449676 453158042 /nfs/dbraw/zinc/15/80/42/453158042.db2.gz PPAQWIHLNVYRSH-CRAIPNDOSA-N 2 0 344.503 1.431 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000662450671 453158264 /nfs/dbraw/zinc/15/82/64/453158264.db2.gz BYVZCEDSUIIPPS-OAHLLOKOSA-N 2 0 325.497 1.914 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000662452011 453158868 /nfs/dbraw/zinc/15/88/68/453158868.db2.gz OCODNFSLKVBPBE-HNNXBMFYSA-N 2 0 340.512 1.056 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)CC(C)C ZINC000662493642 453209899 /nfs/dbraw/zinc/20/98/99/453209899.db2.gz OACICVUVTCSVIJ-HUUCEWRRSA-N 2 0 335.496 1.973 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@H]43)CC2)CC1 ZINC000655105214 453223375 /nfs/dbraw/zinc/22/33/75/453223375.db2.gz UNPUWOMFYWASFF-IEBWSBKVSA-N 2 0 348.535 1.345 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000646262353 453268675 /nfs/dbraw/zinc/26/86/75/453268675.db2.gz JCDQADKNYIKPIL-YOEHRIQHSA-N 2 0 332.448 1.102 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000653116553 453305427 /nfs/dbraw/zinc/30/54/27/453305427.db2.gz LPPMCQLDABSUSN-LJQANCHMSA-N 2 0 346.519 1.636 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662590850 453317452 /nfs/dbraw/zinc/31/74/52/453317452.db2.gz OYKLBZUGOOOWKA-HUUCEWRRSA-N 2 0 331.464 1.338 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000653150315 453337552 /nfs/dbraw/zinc/33/75/52/453337552.db2.gz YRWUGVWLTHJMCB-KURKYZTESA-N 2 0 334.508 1.146 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150673 453338455 /nfs/dbraw/zinc/33/84/55/453338455.db2.gz JZHLBPQFEAJLOL-HUUCEWRRSA-N 2 0 326.872 1.338 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662638489 453353456 /nfs/dbraw/zinc/35/34/56/453353456.db2.gz RLCBHMZZJGRDDR-MSOLQXFVSA-N 2 0 330.476 1.798 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408832 453369789 /nfs/dbraw/zinc/36/97/89/453369789.db2.gz LYUNJIFSIASZHR-MSOLQXFVSA-N 2 0 331.460 1.708 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2CCO[C@@H]2C[NH3+])[NH+]2CCCC2)cc1 ZINC000662661889 453376213 /nfs/dbraw/zinc/37/62/13/453376213.db2.gz WMDWWXGMMYFNON-FGTMMUONSA-N 2 0 347.459 1.312 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CC[NH2+]CC1 ZINC000653190995 453380729 /nfs/dbraw/zinc/38/07/29/453380729.db2.gz QMDNESFIMIYPBC-UBDQQSCGSA-N 2 0 337.508 1.757 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662668622 453381587 /nfs/dbraw/zinc/38/15/87/453381587.db2.gz HPNIRHIQWZTVJQ-QZTJIDSGSA-N 2 0 331.460 1.653 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1 ZINC000662673519 453388147 /nfs/dbraw/zinc/38/81/47/453388147.db2.gz MKFFYYZLRLJTTQ-IRXDYDNUSA-N 2 0 335.448 1.710 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000646444114 453389118 /nfs/dbraw/zinc/38/91/18/453389118.db2.gz KJQIEDRJFDCIFX-QZTJIDSGSA-N 2 0 331.460 1.683 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662673960 453390921 /nfs/dbraw/zinc/39/09/21/453390921.db2.gz UELDOEVQDPUSDV-HNNXBMFYSA-N 2 0 334.468 1.149 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662682539 453402388 /nfs/dbraw/zinc/40/23/88/453402388.db2.gz JFHCWKWFDGZZBR-MRXNPFEDSA-N 2 0 342.447 1.907 20 0 EDADRP COc1cc(OCC[NH+](C)C)ccc1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648929672 453405874 /nfs/dbraw/zinc/40/58/74/453405874.db2.gz WWMZIQLUZZWQIQ-UKRRQHHQSA-N 2 0 335.448 1.914 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)[C@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000646458636 453407065 /nfs/dbraw/zinc/40/70/65/453407065.db2.gz CGAIRWGRXPYWNW-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000667138257 453430337 /nfs/dbraw/zinc/43/03/37/453430337.db2.gz ZJNCWPRODMWHGE-JKSUJKDBSA-N 2 0 348.495 1.688 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000662718281 453441360 /nfs/dbraw/zinc/44/13/60/453441360.db2.gz XIYUCQQPXQLRFY-BZSNNMDCSA-N 2 0 329.444 1.279 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1C[NH2+]CCO1 ZINC000662716836 453441388 /nfs/dbraw/zinc/44/13/88/453441388.db2.gz WYUQHDWPLXHUJY-MSOLQXFVSA-N 2 0 343.471 1.393 20 0 EDADRP CN(C(=O)[C@@H]1CCO[C@H]1C[NH3+])C1CC[NH+](Cc2ccccc2)CC1 ZINC000662720037 453443437 /nfs/dbraw/zinc/44/34/37/453443437.db2.gz PGZZGEOAIHPRFN-MSOLQXFVSA-N 2 0 331.460 1.473 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)CC[NH2+]1 ZINC000656787226 453448124 /nfs/dbraw/zinc/44/81/24/453448124.db2.gz HNXNAPKZMYSBHR-DDBAPUKQSA-N 2 0 341.455 1.492 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000662743350 453471288 /nfs/dbraw/zinc/47/12/88/453471288.db2.gz YIFJNDDCPCHKKD-ZWKOTPCHSA-N 2 0 330.476 1.046 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@H]1CCO[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000662753413 453487842 /nfs/dbraw/zinc/48/78/42/453487842.db2.gz QQMJXXOAKGJFTA-RRFJBIMHSA-N 2 0 325.840 1.423 20 0 EDADRP COc1ccc(COC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660654664 453490133 /nfs/dbraw/zinc/49/01/33/453490133.db2.gz HRMKZCRVHGOLFG-ICSRJNTNSA-N 2 0 348.487 1.990 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662755397 453492218 /nfs/dbraw/zinc/49/22/18/453492218.db2.gz APZHKMJRZHAJOK-IBGZPJMESA-N 2 0 344.503 1.755 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2C[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000662757701 453495852 /nfs/dbraw/zinc/49/58/52/453495852.db2.gz LPYKAAKVVXEHBY-BZSNNMDCSA-N 2 0 330.476 1.219 20 0 EDADRP [NH3+]C1(CC(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000662757750 453496896 /nfs/dbraw/zinc/49/68/96/453496896.db2.gz MPQOKDZHKIODFQ-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662766123 453503289 /nfs/dbraw/zinc/50/32/89/453503289.db2.gz LJGBQVDNOAOQFG-INIZCTEOSA-N 2 0 342.447 1.194 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646603072 453507381 /nfs/dbraw/zinc/50/73/81/453507381.db2.gz HHYLZBVVTYTDET-ZBFHGGJFSA-N 2 0 343.431 1.246 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662784903 453519623 /nfs/dbraw/zinc/51/96/23/453519623.db2.gz FORGOKWJKSPISP-HNNXBMFYSA-N 2 0 336.484 1.253 20 0 EDADRP Cc1nccnc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000662817292 453548960 /nfs/dbraw/zinc/54/89/60/453548960.db2.gz TVZHORRVXXEFMO-UHFFFAOYSA-N 2 0 339.443 1.508 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831417 453557407 /nfs/dbraw/zinc/55/74/07/453557407.db2.gz AJCHHEQNRCXCRO-KRWDZBQOSA-N 2 0 343.471 1.659 20 0 EDADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662833758 453561205 /nfs/dbraw/zinc/56/12/05/453561205.db2.gz WAQLKMBVODJGCQ-HKUYNNGSSA-N 2 0 343.471 1.587 20 0 EDADRP Cc1cc(NC(=O)NCC[C@@H]([NH3+])C(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000659000534 453574737 /nfs/dbraw/zinc/57/47/37/453574737.db2.gz UCSIFCCTINEJQY-OAHLLOKOSA-N 2 0 336.484 1.953 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000662869190 453580693 /nfs/dbraw/zinc/58/06/93/453580693.db2.gz XJXNCQUVXBFECC-OALUTQOASA-N 2 0 345.487 1.989 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662886973 453588424 /nfs/dbraw/zinc/58/84/24/453588424.db2.gz QNWWRCQONOENCR-CVEARBPZSA-N 2 0 348.495 1.443 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659033556 453590689 /nfs/dbraw/zinc/59/06/89/453590689.db2.gz JNWQSFVGDAJYQD-KRWDZBQOSA-N 2 0 341.415 1.398 20 0 EDADRP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899137 453593779 /nfs/dbraw/zinc/59/37/79/453593779.db2.gz BVWYSNHMRPJJMP-CQSZACIVSA-N 2 0 349.479 1.109 20 0 EDADRP CC(C)(C(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]([NH3+])c1ccccc1 ZINC000662906696 453597511 /nfs/dbraw/zinc/59/75/11/453597511.db2.gz KCTUNQJLAFPXQJ-SJORKVTESA-N 2 0 330.476 1.219 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NC[C@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660847047 453603530 /nfs/dbraw/zinc/60/35/30/453603530.db2.gz MMGYOFXIPJQSKK-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000659100504 453632884 /nfs/dbraw/zinc/63/28/84/453632884.db2.gz BDJPPEQYFGLORT-AWEZNQCLSA-N 2 0 332.448 1.320 20 0 EDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000665280648 453634614 /nfs/dbraw/zinc/63/46/14/453634614.db2.gz IGKZXHPFBSSDMJ-XJKSGUPXSA-N 2 0 327.494 1.961 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000659287675 453703065 /nfs/dbraw/zinc/70/30/65/453703065.db2.gz RVEVWGQWARKPPZ-NXHRZFHOSA-N 2 0 333.476 1.908 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[N@H+](CC3CCC3)CC2)CC1 ZINC000665478319 453710233 /nfs/dbraw/zinc/71/02/33/453710233.db2.gz GDLMUABRAUQEBF-UHFFFAOYSA-N 2 0 336.524 1.348 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659317979 453713867 /nfs/dbraw/zinc/71/38/67/453713867.db2.gz WNTWODPBHZFOTR-MSOLQXFVSA-N 2 0 349.475 1.146 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1F ZINC000659356764 453726991 /nfs/dbraw/zinc/72/69/91/453726991.db2.gz NVXQMNKWWBBOMR-NOLJZWGESA-N 2 0 335.423 1.394 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000665551460 453743787 /nfs/dbraw/zinc/74/37/87/453743787.db2.gz HYEZSAQFUARWCD-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP CC(CC[NH2+]C(C)(C)C(=O)N(C)C)CC[NH2+]C(C)(C)C(=O)N(C)C ZINC000663281865 453753993 /nfs/dbraw/zinc/75/39/93/453753993.db2.gz XWJRFVZJWQOGLQ-UHFFFAOYSA-N 2 0 342.528 1.316 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc3n(n2)CCC3)(N2CCCCC2)CC1 ZINC000657378368 453778248 /nfs/dbraw/zinc/77/82/48/453778248.db2.gz UVBABHMHZOVJNZ-UHFFFAOYSA-N 2 0 331.508 1.869 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccnn2CC2CC2)ccn1 ZINC000657421385 453784644 /nfs/dbraw/zinc/78/46/44/453784644.db2.gz NQVNLNKJNVWNDL-UHFFFAOYSA-N 2 0 329.448 1.918 20 0 EDADRP CCN(CC)C(=O)C[N@@H+]1CCCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663382122 453785316 /nfs/dbraw/zinc/78/53/16/453785316.db2.gz YSLQPZDYQXTPKA-UHFFFAOYSA-N 2 0 329.448 1.943 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCO[C@H](C(C)C)C2)CC1 ZINC000663505107 453811805 /nfs/dbraw/zinc/81/18/05/453811805.db2.gz DLMJUKPSTCUSMC-SJORKVTESA-N 2 0 325.497 1.770 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c(C)cc(OC)nc2C)CC1 ZINC000663504351 453811850 /nfs/dbraw/zinc/81/18/50/453811850.db2.gz TYWOOJIDCIEXDV-UHFFFAOYSA-N 2 0 348.491 1.787 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[NH+]2CCC(O)CC2)C1 ZINC000679920102 486672281 /nfs/dbraw/zinc/67/22/81/486672281.db2.gz UDDBVPLTNFSHOE-LPHOPBHVSA-N 2 0 345.487 1.595 20 0 EDADRP CC(C)[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)N1CCOCC1 ZINC000164308452 486728235 /nfs/dbraw/zinc/72/82/35/486728235.db2.gz CRSVXSWANJTKGV-ROUUACIJSA-N 2 0 333.476 1.940 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418079046 486824446 /nfs/dbraw/zinc/82/44/46/486824446.db2.gz XLVBFBRPXRMEDG-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP COc1cc(CNC(=O)c2ccc(C[NH3+])o2)ccc1OCC[NH+](C)C ZINC000165550546 486833710 /nfs/dbraw/zinc/83/37/10/486833710.db2.gz KETCSEQHCTUEDF-UHFFFAOYSA-N 2 0 347.415 1.617 20 0 EDADRP CC[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000667550099 486840293 /nfs/dbraw/zinc/84/02/93/486840293.db2.gz GAVMOAWNGNOUKL-RDJZCZTQSA-N 2 0 346.475 1.315 20 0 EDADRP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@@H](C)[NH3+])c2C1 ZINC000667559384 486845341 /nfs/dbraw/zinc/84/53/41/486845341.db2.gz LCQFPLHWGGHMDO-OLZOCXBDSA-N 2 0 332.448 1.449 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000667559946 486846548 /nfs/dbraw/zinc/84/65/48/486846548.db2.gz XIZYEFAINJHPPI-KGLIPLIRSA-N 2 0 332.448 1.320 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000165856545 486847769 /nfs/dbraw/zinc/84/77/69/486847769.db2.gz CMEIZSYQZGSAQW-HNNXBMFYSA-N 2 0 325.840 1.567 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000683910268 486862130 /nfs/dbraw/zinc/86/21/30/486862130.db2.gz SJWPNVYXPKPDLS-AZUAARDMSA-N 2 0 345.487 1.566 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000667781069 486962174 /nfs/dbraw/zinc/96/21/74/486962174.db2.gz ZPQUZLBPDKTSNO-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000667803803 486972266 /nfs/dbraw/zinc/97/22/66/486972266.db2.gz PBQVJPLSOWFKDM-ZDUSSCGKSA-N 2 0 331.464 1.921 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)Nc2ccc(OCC[NH3+])cc2)cn1 ZINC000667810993 486976306 /nfs/dbraw/zinc/97/63/06/486976306.db2.gz WXVMOQKTCQKCCW-UHFFFAOYSA-N 2 0 332.408 1.426 20 0 EDADRP CCOc1cnc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cn1 ZINC000681721949 487144929 /nfs/dbraw/zinc/14/49/29/487144929.db2.gz DCTPKEVDJNANRU-OAHLLOKOSA-N 2 0 349.479 1.363 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H](O)C[NH+]1Cc1ccccc1 ZINC000677798890 487170657 /nfs/dbraw/zinc/17/06/57/487170657.db2.gz DQDBKRWVRICLKN-UKBAYJJMSA-N 2 0 345.487 1.611 20 0 EDADRP CC(C)N(C(=O)[C@H](C)[NH+](C)C)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000674287822 487228271 /nfs/dbraw/zinc/22/82/71/487228271.db2.gz GATJTGDMNZNLHY-GJZGRUSLSA-N 2 0 340.512 1.115 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000674326443 487237698 /nfs/dbraw/zinc/23/76/98/487237698.db2.gz BQRIDTLCELIHSY-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000674385403 487249467 /nfs/dbraw/zinc/24/94/67/487249467.db2.gz VWAILVVXSKPEAY-CVEARBPZSA-N 2 0 334.468 1.535 20 0 EDADRP NC(=O)N[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678341845 487292504 /nfs/dbraw/zinc/29/25/04/487292504.db2.gz GZRNIXHGXHZXNN-INIZCTEOSA-N 2 0 332.448 1.404 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn(CC(F)(F)F)c1 ZINC000682492572 487375814 /nfs/dbraw/zinc/37/58/14/487375814.db2.gz ARIZUMKGZSNOSS-UHFFFAOYSA-N 2 0 335.374 1.011 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000675891803 487457216 /nfs/dbraw/zinc/45/72/16/487457216.db2.gz UAPDXXCWEUSQKP-INIZCTEOSA-N 2 0 346.435 1.746 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000679764076 487464130 /nfs/dbraw/zinc/46/41/30/487464130.db2.gz RHBPQSDBPNAYIO-QZTJIDSGSA-N 2 0 346.475 1.147 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)c3cccn3C3CC[NH2+]CC3)cc2C1 ZINC000669513511 485478343 /nfs/dbraw/zinc/47/83/43/485478343.db2.gz YAGFMTQITGCPBA-AWEZNQCLSA-N 2 0 339.443 1.876 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000669513495 485478392 /nfs/dbraw/zinc/47/83/92/485478392.db2.gz VBKAODKSEAIPJS-YOEHRIQHSA-N 2 0 338.496 1.541 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000669517766 485483388 /nfs/dbraw/zinc/48/33/88/485483388.db2.gz SCCVGLXUQFYGSP-INIZCTEOSA-N 2 0 348.491 1.704 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)N2CCO[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000669522791 485492168 /nfs/dbraw/zinc/49/21/68/485492168.db2.gz RGRWEMJWINGXDX-DOTOQJQBSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC/C=C/C[NH3+] ZINC000669533118 485509939 /nfs/dbraw/zinc/50/99/39/485509939.db2.gz QOOWLHXANYDZAE-YCZSJOHXSA-N 2 0 330.476 1.957 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)CC(C)C ZINC000669042499 485595668 /nfs/dbraw/zinc/59/56/68/485595668.db2.gz DUNRKRSEMICYQP-HRCADAONSA-N 2 0 328.501 1.501 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCc2ccc3c(c2)C[NH2+]C3)CC1(C)C ZINC000669580074 485623974 /nfs/dbraw/zinc/62/39/74/485623974.db2.gz BQGZTQGBXVHVGC-UHFFFAOYSA-N 2 0 345.491 1.115 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)C(C)(C)N2CC[NH2+]CC2)c1 ZINC000325338353 485698044 /nfs/dbraw/zinc/69/80/44/485698044.db2.gz JIYZKKRCMRENNG-UHFFFAOYSA-N 2 0 334.464 1.249 20 0 EDADRP CCOC1CC(C[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)C1 ZINC000375712774 485795969 /nfs/dbraw/zinc/79/59/69/485795969.db2.gz YYGCRIPVCCVLEC-CTWPCTMYSA-N 2 0 339.524 1.528 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000343925753 485940624 /nfs/dbraw/zinc/94/06/24/485940624.db2.gz GLGMVBPXVHZPFH-QRVBRYPASA-N 2 0 349.519 1.820 20 0 EDADRP CCCn1nccc1C(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000668617316 485956342 /nfs/dbraw/zinc/95/63/42/485956342.db2.gz JPCBWKWIAALNJG-MRXNPFEDSA-N 2 0 333.480 1.534 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000668665688 486016062 /nfs/dbraw/zinc/01/60/62/486016062.db2.gz LNQNSZGJRXDZCU-UAGQMJEPSA-N 2 0 332.448 1.019 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000347694843 486025674 /nfs/dbraw/zinc/02/56/74/486025674.db2.gz YUWOFAUCSSISSY-KSZLIROESA-N 2 0 337.508 1.722 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000669389593 486025900 /nfs/dbraw/zinc/02/59/00/486025900.db2.gz BFYWOLAUGNDIMN-AWEZNQCLSA-N 2 0 326.510 1.338 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000607409772 486054972 /nfs/dbraw/zinc/05/49/72/486054972.db2.gz MISFOEKDGDIREC-IEBWSBKVSA-N 2 0 346.475 1.017 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668740495 486113211 /nfs/dbraw/zinc/11/32/11/486113211.db2.gz UJQZDUOBRHLQCW-LJQANCHMSA-N 2 0 341.459 1.607 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000668850935 486259779 /nfs/dbraw/zinc/25/97/79/486259779.db2.gz RUARWPODYKXHAK-PIIMJCKOSA-N 2 0 328.460 1.690 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)c1 ZINC000279051679 491240593 /nfs/dbraw/zinc/24/05/93/491240593.db2.gz PIWSOLVTDIUIJR-INIZCTEOSA-N 2 0 330.432 1.366 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccn(CC[NH+](C)C)n1)[N@@H+]1CCC[C@@H](C)C1 ZINC000173919071 534000481 /nfs/dbraw/zinc/00/04/81/534000481.db2.gz QURXGRLKDZWAAF-CABCVRRESA-N 2 0 336.484 1.687 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000154937693 534159697 /nfs/dbraw/zinc/15/96/97/534159697.db2.gz VJYYSCZNTLZNBF-OAHLLOKOSA-N 2 0 334.464 1.626 20 0 EDADRP CO[C@@H]1C[NH+](CC[C@@H](C)CC[NH+]2C[C@H](OC)[C@@H](OC)C2)C[C@H]1OC ZINC000411629782 518113584 /nfs/dbraw/zinc/11/35/84/518113584.db2.gz CSTJRPMLRNLCJM-PXIVNFAOSA-N 2 0 344.496 1.094 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000186733489 528158598 /nfs/dbraw/zinc/15/85/98/528158598.db2.gz SDWULZHADOHLQF-LPHOPBHVSA-N 2 0 333.476 1.897 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000164595934 529037905 /nfs/dbraw/zinc/03/79/05/529037905.db2.gz DKABVDQYBMWBGR-DAYGRLMNSA-N 2 0 333.476 1.895 20 0 EDADRP CC(=O)c1ccccc1OCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261661944 534926711 /nfs/dbraw/zinc/92/67/11/534926711.db2.gz KTMFOTOYZKYFKR-OAHLLOKOSA-N 2 0 333.432 1.055 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000262620089 535348890 /nfs/dbraw/zinc/34/88/90/535348890.db2.gz DRYRHSUTXXWMQS-MRXNPFEDSA-N 2 0 334.464 1.824 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000074164407 535538718 /nfs/dbraw/zinc/53/87/18/535538718.db2.gz GPFAGJVHFHSNSA-UHFFFAOYSA-N 2 0 332.492 1.900 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC[C@@H](C)[NH3+])cc1 ZINC000262706720 535539734 /nfs/dbraw/zinc/53/97/34/535539734.db2.gz BPQKNLMXCNRKIC-CQSZACIVSA-N 2 0 334.464 1.824 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cnn(C)c1C ZINC000339655414 535595792 /nfs/dbraw/zinc/59/57/92/535595792.db2.gz OUTOICGVVDTFJE-KRWDZBQOSA-N 2 0 335.496 1.146 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2C(=O)NC)CC1 ZINC000345836544 535753479 /nfs/dbraw/zinc/75/34/79/535753479.db2.gz CWOLUZOPCLPSFM-MSOLQXFVSA-N 2 0 344.503 1.833 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000236910204 535850103 /nfs/dbraw/zinc/85/01/03/535850103.db2.gz QDMUYRZCBPKJPD-MAUKXSAKSA-N 2 0 348.491 1.625 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000237186984 535915319 /nfs/dbraw/zinc/91/53/19/535915319.db2.gz SRVPALHFVQKYKX-SFHVURJKSA-N 2 0 341.455 1.813 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1OC(F)(F)F ZINC000262073321 536303978 /nfs/dbraw/zinc/30/39/78/536303978.db2.gz KDUVHFCRISTFFA-UHFFFAOYSA-N 2 0 345.365 1.839 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]CCCCC[NH+]3CCCC3)cn2)CC1 ZINC000339498287 536426570 /nfs/dbraw/zinc/42/65/70/536426570.db2.gz KHNHYGGORXZLEE-UHFFFAOYSA-N 2 0 346.523 1.584 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])CC(F)F ZINC000345703560 536449104 /nfs/dbraw/zinc/44/91/04/536449104.db2.gz DFWAMOMSAOXDIL-HUUCEWRRSA-N 2 0 325.403 1.949 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC[NH+](C(C)(C)C)CC2)[N@H+](C)C1 ZINC000346628546 536777574 /nfs/dbraw/zinc/77/75/74/536777574.db2.gz ZQDRGXBPOSFPMD-HOTGVXAUSA-N 2 0 340.512 1.610 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(C[C@@H](O)c2ccccc2F)CC1 ZINC000728576428 578549156 /nfs/dbraw/zinc/54/91/56/578549156.db2.gz RVJHYEPVABBIJI-QGZVFWFLSA-N 2 0 335.423 1.099 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1cc2c([nH]c1=O)CCC2 ZINC000733164601 578745433 /nfs/dbraw/zinc/74/54/33/578745433.db2.gz YTCPEIVZBKOWAM-UHFFFAOYSA-N 2 0 346.475 1.374 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734264515 578805385 /nfs/dbraw/zinc/80/53/85/578805385.db2.gz DISVQTGLZYDLJJ-DOTOQJQBSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736769920 579018867 /nfs/dbraw/zinc/01/88/67/579018867.db2.gz XFQHFDGCHWYEAT-UHFFFAOYSA-N 2 0 330.436 1.409 20 0 EDADRP CC(C)(C)[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000764948407 580131847 /nfs/dbraw/zinc/13/18/47/580131847.db2.gz NUIQQHYYGLHCQC-MRXNPFEDSA-N 2 0 334.464 1.117 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000769446541 580237298 /nfs/dbraw/zinc/23/72/98/580237298.db2.gz QUWSFMNEINHMTM-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000770430830 580260226 /nfs/dbraw/zinc/26/02/26/580260226.db2.gz DJAKHKJZJIUKOP-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC[N@@H+]2CCCC(C)(C)C2)cn1 ZINC000770522378 580263481 /nfs/dbraw/zinc/26/34/81/580263481.db2.gz KAUAKVKBHFCAHN-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775372678 580389535 /nfs/dbraw/zinc/38/95/35/580389535.db2.gz GASZUYIGHSEWNY-OWCLPIDISA-N 2 0 329.579 1.983 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cccc(C(N)=O)c2)CC1 ZINC000800333114 581050656 /nfs/dbraw/zinc/05/06/56/581050656.db2.gz MFDRWEXWETZMQJ-UHFFFAOYSA-N 2 0 332.492 1.633 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000891806107 590629127 /nfs/dbraw/zinc/62/91/27/590629127.db2.gz VPMPKBLAFPCOHM-INIZCTEOSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cn3ccnc3s2)CC1 ZINC000891832867 590642083 /nfs/dbraw/zinc/64/20/83/590642083.db2.gz DUIGPEJQGXMJKD-UHFFFAOYSA-N 2 0 335.477 1.286 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)cc1 ZINC000891836349 590645904 /nfs/dbraw/zinc/64/59/04/590645904.db2.gz SOQWLYMDKCQCCW-PKOBYXMFSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)cc1 ZINC000891836042 590646271 /nfs/dbraw/zinc/64/62/71/590646271.db2.gz PGYSRWRQIGQJMG-QZTJIDSGSA-N 2 0 330.476 1.827 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000891855342 590656349 /nfs/dbraw/zinc/65/63/49/590656349.db2.gz JYVRHMLBZYJWIM-BZSNNMDCSA-N 2 0 346.475 1.314 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891909878 590683866 /nfs/dbraw/zinc/68/38/66/590683866.db2.gz NWPXGSXFCODARQ-HZPDHXFCSA-N 2 0 340.512 1.565 20 0 EDADRP CC[NH+](CC)CC(=O)N1CC[NH+](CC2CCC(OC)CC2)CC1 ZINC000891927386 590691598 /nfs/dbraw/zinc/69/15/98/590691598.db2.gz SHOIVUVVFCSQLF-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000892000175 590737000 /nfs/dbraw/zinc/73/70/00/590737000.db2.gz PTEXCNDAZBOCPL-WMZOPIPTSA-N 2 0 330.476 1.868 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)c1ccccc1 ZINC000892030481 590761586 /nfs/dbraw/zinc/76/15/86/590761586.db2.gz KLXVBVIWMGXFRX-HOTGVXAUSA-N 2 0 332.448 1.144 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CC[NH2+]C[C@@H]1c1cccc(OC)c1 ZINC000892038472 590765327 /nfs/dbraw/zinc/76/53/27/590765327.db2.gz GIKNHNFIQSSKAB-MRXNPFEDSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCC1(C)CC[NH2+]CC1 ZINC000892057174 590774131 /nfs/dbraw/zinc/77/41/31/590774131.db2.gz LJZQYAWOSFHMDA-HNNXBMFYSA-N 2 0 331.464 1.691 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C)CCCC[NH3+])c1 ZINC000892134408 590815842 /nfs/dbraw/zinc/81/58/42/590815842.db2.gz HVCXLHOLFPMCLY-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H]1CN(Cc2cnn(C)c2C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000892152373 590824104 /nfs/dbraw/zinc/82/41/04/590824104.db2.gz GWXWBGFGZIVBEM-QAPCUYQASA-N 2 0 331.508 1.755 20 0 EDADRP CNc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000892161971 590833603 /nfs/dbraw/zinc/83/36/03/590833603.db2.gz UJXBKQFWZWDZIK-UHFFFAOYSA-N 2 0 327.436 1.538 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC[C@H]1CC(C)(C)CO1 ZINC000890931796 590853833 /nfs/dbraw/zinc/85/38/33/590853833.db2.gz PAQIBTBRYYUWJX-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000892274534 590906154 /nfs/dbraw/zinc/90/61/54/590906154.db2.gz ORFQRIUKUWDCSZ-ZBFHGGJFSA-N 2 0 329.448 1.586 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000909396564 590941345 /nfs/dbraw/zinc/94/13/45/590941345.db2.gz HQWIVFHLCMEQSJ-QGZVFWFLSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)C(C)(C)C[NH+](C)C ZINC000893549691 590953750 /nfs/dbraw/zinc/95/37/50/590953750.db2.gz ZIAISUVKKMUTDC-ARFHVFGLSA-N 2 0 340.512 1.203 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000892413435 591018023 /nfs/dbraw/zinc/01/80/23/591018023.db2.gz YKCZQZNITHDUQQ-KRWDZBQOSA-N 2 0 348.491 1.357 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3C[C@H]4C[NH2+]C[C@H]4C3)C2)cc1 ZINC000892530810 591060794 /nfs/dbraw/zinc/06/07/94/591060794.db2.gz YGNRQDKNWAEPCU-KSZLIROESA-N 2 0 328.460 1.430 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891366558 591063167 /nfs/dbraw/zinc/06/31/67/591063167.db2.gz WHLXTMHXEPUKLX-YOEHRIQHSA-N 2 0 328.460 1.484 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2)N1CC[NH+](C)CC1 ZINC000892535291 591064334 /nfs/dbraw/zinc/06/43/34/591064334.db2.gz JCPPQEZSBAWQEW-ZACQAIPSSA-N 2 0 343.487 1.482 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000892587676 591082287 /nfs/dbraw/zinc/08/22/87/591082287.db2.gz ORPMSYRISOOBCU-OWLYRPNTSA-N 2 0 334.508 1.938 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891494155 591093382 /nfs/dbraw/zinc/09/33/82/591093382.db2.gz IJHSQHWAIZYCBL-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)C2(C[NH3+])CCCCC2)CC1 ZINC000891493648 591093529 /nfs/dbraw/zinc/09/35/29/591093529.db2.gz WTSFNQBIPXQILA-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)[C@H](C)C1 ZINC000891563172 591129243 /nfs/dbraw/zinc/12/92/43/591129243.db2.gz ADFSBDUXASQHEH-LVQVYYBASA-N 2 0 326.485 1.160 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000891574019 591131342 /nfs/dbraw/zinc/13/13/42/591131342.db2.gz CJAJBGQMPCEYMJ-BZUAXINKSA-N 2 0 338.496 1.304 20 0 EDADRP Cc1n[nH]c(C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)c1C ZINC000893974955 591153040 /nfs/dbraw/zinc/15/30/40/591153040.db2.gz YVXLKYKTCIAHQG-UHFFFAOYSA-N 2 0 349.523 1.943 20 0 EDADRP Cc1ccnc(N)c1CN1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000893980465 591154707 /nfs/dbraw/zinc/15/47/07/591154707.db2.gz MENDBFJTGNNJNR-CALCHBBNSA-N 2 0 331.508 1.963 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000891639455 591162611 /nfs/dbraw/zinc/16/26/11/591162611.db2.gz RMBBGDNLGVGCSQ-XJKSGUPXSA-N 2 0 328.526 1.501 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000892788426 591178671 /nfs/dbraw/zinc/17/86/71/591178671.db2.gz BZNPARNFCZKKJZ-QZTJIDSGSA-N 2 0 330.476 1.683 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000892797930 591181490 /nfs/dbraw/zinc/18/14/90/591181490.db2.gz UGOJPOCNUFBLFV-AYOQOUSVSA-N 2 0 342.487 1.969 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804167 591183581 /nfs/dbraw/zinc/18/35/81/591183581.db2.gz AHSFTBRCHTWRGM-MSOLQXFVSA-N 2 0 330.476 1.827 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)CC[C@@H]21 ZINC000892804297 591183592 /nfs/dbraw/zinc/18/35/92/591183592.db2.gz SFLPBPUDQRHZCN-QRVBRYPASA-N 2 0 342.487 1.827 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892815006 591190574 /nfs/dbraw/zinc/19/05/74/591190574.db2.gz XTUAMTHAMXZNKH-SFHVURJKSA-N 2 0 330.476 1.684 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](Nc3cc[nH+]cc3CO)C2)cc(OC)c1 ZINC000892881021 591213556 /nfs/dbraw/zinc/21/35/56/591213556.db2.gz OJPYDEAXHIBNJW-INIZCTEOSA-N 2 0 343.427 1.699 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895626732 591234972 /nfs/dbraw/zinc/23/49/72/591234972.db2.gz VQORYCUAGKFJRP-MOPGFXCFSA-N 2 0 343.471 1.660 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cn(Cc2ccccc2)nn1 ZINC000892951420 591237339 /nfs/dbraw/zinc/23/73/39/591237339.db2.gz NFGLKCSEDGUYLG-LJQANCHMSA-N 2 0 343.475 1.653 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1(C)C ZINC000894253072 591248855 /nfs/dbraw/zinc/24/88/55/591248855.db2.gz FTKGOAPYTALABG-HUUCEWRRSA-N 2 0 329.460 1.236 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)s1 ZINC000894254199 591249729 /nfs/dbraw/zinc/24/97/29/591249729.db2.gz QFNSRZKXQWOKKR-UHFFFAOYSA-N 2 0 340.493 1.435 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000895781446 591273886 /nfs/dbraw/zinc/27/38/86/591273886.db2.gz TYULQLNTFUUJHM-GPMSIDNRSA-N 2 0 349.519 1.961 20 0 EDADRP CCc1nnc(NC(=O)[C@@H](C)[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000894438074 591312302 /nfs/dbraw/zinc/31/23/02/591312302.db2.gz AESFIWNHFMZYQU-NWDGAFQWSA-N 2 0 339.509 1.995 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)[C@H]1CCC[N@H+](C)C1 ZINC000896608972 591551870 /nfs/dbraw/zinc/55/18/70/591551870.db2.gz KPCAIKWCAVJEKB-ZNMIVQPWSA-N 2 0 326.510 1.302 20 0 EDADRP C[NH+]1C[C@@H](CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000897591857 591572315 /nfs/dbraw/zinc/57/23/15/591572315.db2.gz ORGAECNOYDMEKA-YRXWBPOGSA-N 2 0 342.487 1.535 20 0 EDADRP C[N@H+](CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1)Cc1ccc(F)cc1 ZINC000896841685 591629462 /nfs/dbraw/zinc/62/94/62/591629462.db2.gz VPSWVGCYRNOTEH-KRWDZBQOSA-N 2 0 335.423 1.094 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)n[nH]1 ZINC000897851901 591696309 /nfs/dbraw/zinc/69/63/09/591696309.db2.gz HAFPCXKPROUDBQ-FUHWJXTLSA-N 2 0 331.464 1.734 20 0 EDADRP O=C(C1C[NH+]([C@@H]2CCOC2)C1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000897105504 591742048 /nfs/dbraw/zinc/74/20/48/591742048.db2.gz MGWMQGXHGRJQAW-BMGDILEWSA-N 2 0 333.476 1.182 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895408146 591746663 /nfs/dbraw/zinc/74/66/63/591746663.db2.gz PFFCNPYPYQJBGW-QZTJIDSGSA-N 2 0 329.444 1.098 20 0 EDADRP Cc1noc2ncc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc12 ZINC000895419763 591755048 /nfs/dbraw/zinc/75/50/48/591755048.db2.gz YIQOSFOUWBSSSS-HZPDHXFCSA-N 2 0 331.464 1.702 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@@]2(C)C[C@H](O)C[N@@H+]2C)[NH+](C)C)cc1 ZINC000900013091 591862546 /nfs/dbraw/zinc/86/25/46/591862546.db2.gz GWPUYVNFRDFDNE-JENIJYKNSA-N 2 0 333.476 1.423 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900198206 591937383 /nfs/dbraw/zinc/93/73/83/591937383.db2.gz ULFLXQVSMRRZRC-AEFFLSMTSA-N 2 0 325.497 1.460 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)C1CCCCC1 ZINC000900198385 591938174 /nfs/dbraw/zinc/93/81/74/591938174.db2.gz VOZLRVFUYLZDRP-GOSISDBHSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000900203676 591940705 /nfs/dbraw/zinc/94/07/05/591940705.db2.gz FKBVTHLTIJEPNB-ZWKOTPCHSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900210165 591944025 /nfs/dbraw/zinc/94/40/25/591944025.db2.gz XTNSZXVEMKRLGX-WWDZGPRUSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2CCC([NH+]3CCOCC3)CC2)CCCC1 ZINC000900228525 591956796 /nfs/dbraw/zinc/95/67/96/591956796.db2.gz NOUSRUDFVVUWRW-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@]1(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cc2)NC(=O)NC1=O ZINC000902345360 591977613 /nfs/dbraw/zinc/97/76/13/591977613.db2.gz JVIQZECDOUOBPP-BEFAXECRSA-N 2 0 344.459 1.609 20 0 EDADRP CCNS(=O)(=O)CC[NH2+][C@H](CCCC[NH3+])c1ccc(F)cc1F ZINC000902361985 591987153 /nfs/dbraw/zinc/98/71/53/591987153.db2.gz QIJFWPQKSYZARP-OAHLLOKOSA-N 2 0 349.447 1.664 20 0 EDADRP CC(=O)N1CCC([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000902503829 592003420 /nfs/dbraw/zinc/00/34/20/592003420.db2.gz KTKROGNLZLWXNN-MJGOQNOKSA-N 2 0 329.444 1.843 20 0 EDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502323 592003512 /nfs/dbraw/zinc/00/35/12/592003512.db2.gz TYNLYWGHTYBDIT-HWZNHPTPSA-N 3 0 343.471 1.584 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900419380 592013759 /nfs/dbraw/zinc/01/37/59/592013759.db2.gz VXWGUJZJLYEGRS-BZSNNMDCSA-N 2 0 335.492 1.717 20 0 EDADRP CN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCn2cccn2)CC1 ZINC000900642792 592072433 /nfs/dbraw/zinc/07/24/33/592072433.db2.gz HRROXIKIMCOPIU-UHFFFAOYSA-N 2 0 333.480 1.290 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1CCC([NH+]2CCOCC2)CC1 ZINC000900628446 592076207 /nfs/dbraw/zinc/07/62/07/592076207.db2.gz ZSHXZSMKGYLBEM-LXPRWKDFSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)c1 ZINC000900653458 592081520 /nfs/dbraw/zinc/08/15/20/592081520.db2.gz SIHQEQRFBQIUAZ-PKOBYXMFSA-N 2 0 333.476 1.598 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1nnc(-c2ccco2)o1 ZINC000900683354 592093167 /nfs/dbraw/zinc/09/31/67/592093167.db2.gz ONJWDVWSOFTXSY-UHFFFAOYSA-N 2 0 349.435 1.675 20 0 EDADRP CC[C@@H](C(=O)NC[C@@](C)(NC(=O)[C@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000900719195 592104337 /nfs/dbraw/zinc/10/43/37/592104337.db2.gz WBTASHNZNPXBHY-RLFYNMQTSA-N 2 0 342.528 1.314 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900726116 592105900 /nfs/dbraw/zinc/10/59/00/592105900.db2.gz RNBADSGGVLPLTR-WWDZGPRUSA-N 2 0 337.508 1.678 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CCN(CCOC)C3)C2)[C@@H]1C(C)C ZINC000903116947 592123277 /nfs/dbraw/zinc/12/32/77/592123277.db2.gz BPTKHRBFCPVCJU-QQXKLLMISA-N 2 0 339.524 1.167 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000900883781 592156320 /nfs/dbraw/zinc/15/63/20/592156320.db2.gz SULQLIBHCLLFSJ-OWQGQXMQSA-N 2 0 328.416 1.505 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)N2CC[C@H]([NH+](CC)CC)C2)C1 ZINC000900887398 592157413 /nfs/dbraw/zinc/15/74/13/592157413.db2.gz UBPWEUZMWIRVKQ-HOTGVXAUSA-N 2 0 339.480 1.204 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)cc1OC ZINC000903430175 592168410 /nfs/dbraw/zinc/16/84/10/592168410.db2.gz PSXFAGHTIDJICO-ZBFHGGJFSA-N 2 0 347.459 1.589 20 0 EDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCOCCN1C(=O)c2ccccc2C1=O ZINC000903452820 592173695 /nfs/dbraw/zinc/17/36/95/592173695.db2.gz RNZCANWZDOSAAM-OAHLLOKOSA-N 2 0 345.443 1.503 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1C ZINC000903499804 592179688 /nfs/dbraw/zinc/17/96/88/592179688.db2.gz OQFVNQARWDTLBM-LERXQTSPSA-N 2 0 335.448 1.906 20 0 EDADRP Cc1cc(C)cc(OCC[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1 ZINC000903522750 592196569 /nfs/dbraw/zinc/19/65/69/592196569.db2.gz RARLZSBGZBNSMG-QUCCMNQESA-N 2 0 345.487 1.919 20 0 EDADRP CO[C@@H](C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000903526745 592198788 /nfs/dbraw/zinc/19/87/88/592198788.db2.gz LAWCWPJZGKXLKP-AOIWGVFYSA-N 2 0 331.460 1.611 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCCC[C@H]1C ZINC000906646246 592231953 /nfs/dbraw/zinc/23/19/53/592231953.db2.gz PJIQKJXSGUQGKB-ZIAGYGMSSA-N 2 0 332.448 1.463 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000907958866 592234329 /nfs/dbraw/zinc/23/43/29/592234329.db2.gz DJMAPARJZKOMTH-HOJAQTOUSA-N 2 0 345.487 1.470 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906651576 592234461 /nfs/dbraw/zinc/23/44/61/592234461.db2.gz SDHQWIBAIZKCCB-ZDUSSCGKSA-N 2 0 332.448 1.277 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CNc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000904377076 592244764 /nfs/dbraw/zinc/24/47/64/592244764.db2.gz JBXAQQNKMKKNGQ-GOSISDBHSA-N 2 0 342.443 1.962 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])C2)C1 ZINC000906667573 592249051 /nfs/dbraw/zinc/24/90/51/592249051.db2.gz FPLOAUJLJHNOEJ-GOSISDBHSA-N 2 0 330.432 1.028 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000904404825 592250161 /nfs/dbraw/zinc/25/01/61/592250161.db2.gz GAYCYUJCDJYECP-NSHDSACASA-N 2 0 341.839 1.383 20 0 EDADRP c1c(C[NH2+]Cc2ccncc2O[C@H]2CC[NH2+]C2)sc2c1C[NH2+]CC2 ZINC000904450940 592263623 /nfs/dbraw/zinc/26/36/23/592263623.db2.gz VWCZETVRCOANCA-HNNXBMFYSA-N 3 0 344.484 1.819 20 0 EDADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469009 592267624 /nfs/dbraw/zinc/26/76/24/592267624.db2.gz HXIHMAMCTLBHLN-AEFFLSMTSA-N 2 0 340.475 1.913 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCCC[C@@H]1C1(C[NH3+])CCC1 ZINC000904485029 592270919 /nfs/dbraw/zinc/27/09/19/592270919.db2.gz JKSFAQYJAPUPOF-OAHLLOKOSA-N 2 0 348.495 1.960 20 0 EDADRP CC1(C)CC[N@H+](CCNC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)C1 ZINC000904512129 592274609 /nfs/dbraw/zinc/27/46/09/592274609.db2.gz UERJWFKZXKRIHE-AWEZNQCLSA-N 2 0 331.464 1.751 20 0 EDADRP CC1CCN(C(=O)C2CC[NH+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903722243 592282466 /nfs/dbraw/zinc/28/24/66/592282466.db2.gz JKBNRDGFBXOJSR-AZUAARDMSA-N 2 0 349.519 1.726 20 0 EDADRP C(OC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1)[C@@H]1CCCO1 ZINC000903725830 592284915 /nfs/dbraw/zinc/28/49/15/592284915.db2.gz IBOXACKIMVWQKN-ZWKOTPCHSA-N 2 0 338.492 1.805 20 0 EDADRP O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725167 592284925 /nfs/dbraw/zinc/28/49/25/592284925.db2.gz XOHZTWCZFAIODJ-DLBZAZTESA-N 2 0 335.492 1.383 20 0 EDADRP CCCCCC(=O)NC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727620 592285709 /nfs/dbraw/zinc/28/57/09/592285709.db2.gz WBFDGEOSIFGBES-IEBWSBKVSA-N 2 0 337.508 1.916 20 0 EDADRP CN(C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@H]1CCN(c2ccccc2F)C1=O ZINC000903730677 592287164 /nfs/dbraw/zinc/28/71/64/592287164.db2.gz YLGPQDGWPCJIFR-UCLAIMLFSA-N 2 0 347.434 1.631 20 0 EDADRP Cc1ncsc1CN(C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000903745753 592292122 /nfs/dbraw/zinc/29/21/22/592292122.db2.gz QDKSXETVKRECIE-FXUDXRNXSA-N 2 0 337.489 1.667 20 0 EDADRP Fc1cccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903747755 592294817 /nfs/dbraw/zinc/29/48/17/592294817.db2.gz WOIACJRKKFHPSR-ROUUACIJSA-N 2 0 333.451 1.931 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C12CC[NH+](CC1)C2 ZINC000901243085 592301660 /nfs/dbraw/zinc/30/16/60/592301660.db2.gz XAEKCZIEDOBEID-QZTJIDSGSA-N 2 0 343.471 1.081 20 0 EDADRP CCOCCN1CC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C[C@H]1CC ZINC000903740205 592302814 /nfs/dbraw/zinc/30/28/14/592302814.db2.gz SZHGERPWLMNHBK-SQNIBIBYSA-N 2 0 325.497 1.188 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3C[C@H]4CC[C@@H]3[NH2+]4)ccc21 ZINC000906726627 592315162 /nfs/dbraw/zinc/31/51/62/592315162.db2.gz DOPPDHDPRQKHSM-XLNGHYISSA-N 2 0 342.443 1.183 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](Cc2[nH]nc3c2COCC3)CC1 ZINC000903793144 592316338 /nfs/dbraw/zinc/31/63/38/592316338.db2.gz OMVAYLZRTUZTLR-UHFFFAOYSA-N 2 0 326.444 1.975 20 0 EDADRP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)no1 ZINC000903780510 592320209 /nfs/dbraw/zinc/32/02/09/592320209.db2.gz HUDAELCWDCNXBW-ZAKACXBJSA-N 2 0 332.448 1.857 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(CN3CCNC3=O)CC2)cc1 ZINC000903824396 592334731 /nfs/dbraw/zinc/33/47/31/592334731.db2.gz PZAGJYXDEHYDRK-QGZVFWFLSA-N 2 0 346.475 1.475 20 0 EDADRP CN(C)[S@](C)(=O)=NCC1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000903871064 592353652 /nfs/dbraw/zinc/35/36/52/592353652.db2.gz MGCCUKUWGOGAJF-IVZQSRNASA-N 2 0 330.542 1.663 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903885718 592363606 /nfs/dbraw/zinc/36/36/06/592363606.db2.gz JVJPOLYJJBKXCV-QGZVFWFLSA-N 2 0 334.512 1.755 20 0 EDADRP CCOC(=O)CCC1CC[NH+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903896748 592367193 /nfs/dbraw/zinc/36/71/93/592367193.db2.gz FMQJLSHIEDQIJZ-MRXNPFEDSA-N 2 0 349.479 1.758 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](C)CCOCc2ccccc2)cnn1C ZINC000903898642 592368240 /nfs/dbraw/zinc/36/82/40/592368240.db2.gz MMKPYNPCPQEWFX-GOSISDBHSA-N 2 0 330.476 1.995 20 0 EDADRP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+]CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903921509 592378425 /nfs/dbraw/zinc/37/84/25/592378425.db2.gz OSGBMNAINJRXTF-ZBSSRIJBSA-N 2 0 326.444 1.905 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+]C[C@@H](C[NH3+])Cc1cnn(C)c1C)C2 ZINC000903938118 592388859 /nfs/dbraw/zinc/38/88/59/592388859.db2.gz ZZAFQMSEXKKNPL-RHSMWYFYSA-N 2 0 344.459 1.448 20 0 EDADRP CCC1([NH+]2CCC2)CCN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CC1 ZINC000903954088 592395235 /nfs/dbraw/zinc/39/52/35/592395235.db2.gz PUZWNGOMBCRMIQ-MRXNPFEDSA-N 2 0 332.496 1.653 20 0 EDADRP C[C@H]1c2c[nH]nc2CC[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000906906019 592397042 /nfs/dbraw/zinc/39/70/42/592397042.db2.gz DZNHEFZRXFSULP-UKRRQHHQSA-N 2 0 333.480 1.218 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cnc3nc(C)cc(C)n13)C2 ZINC000903979005 592400261 /nfs/dbraw/zinc/40/02/61/592400261.db2.gz RTSHVALAQWEHAF-IYOUNJFTSA-N 2 0 343.431 1.058 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905365618 592516292 /nfs/dbraw/zinc/51/62/92/592516292.db2.gz CDHSYTPRRGOIRW-ROUUACIJSA-N 2 0 334.460 1.009 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000908597671 592548440 /nfs/dbraw/zinc/54/84/40/592548440.db2.gz AIZMGYHOEQPYJT-QGZVFWFLSA-N 2 0 337.508 1.745 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=S)NCC1CC[NH+](C)CC1 ZINC000905603558 592575575 /nfs/dbraw/zinc/57/55/75/592575575.db2.gz RUNAJJQCRHNTQJ-OAHLLOKOSA-N 2 0 347.532 1.808 20 0 EDADRP COCc1nc(C)cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905700518 592614749 /nfs/dbraw/zinc/61/47/49/592614749.db2.gz OCCFYPAPGLDODW-IYBDPMFKSA-N 2 0 331.464 1.336 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221868 592761038 /nfs/dbraw/zinc/76/10/38/592761038.db2.gz JDUWHUAWLSCTBG-HZPDHXFCSA-N 2 0 331.464 1.047 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000906440320 592818457 /nfs/dbraw/zinc/81/84/57/592818457.db2.gz DWNXUWDIEDAKSS-ROUUACIJSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000906658320 592865166 /nfs/dbraw/zinc/86/51/66/592865166.db2.gz XQXHRXHNRGAFII-DOMZBBRYSA-N 2 0 332.448 1.227 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC000910876607 592899455 /nfs/dbraw/zinc/89/94/55/592899455.db2.gz XEQLNYJYEQJDIP-QGZVFWFLSA-N 2 0 325.497 1.270 20 0 EDADRP Cc1nccn1[C@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000730939705 592919550 /nfs/dbraw/zinc/91/95/50/592919550.db2.gz LEOJZRTVTLCZGA-INIZCTEOSA-N 2 0 348.472 1.719 20 0 EDADRP CCO[C@@H]1C[NH2+][C@H](C(=O)NC[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000911632388 592969992 /nfs/dbraw/zinc/96/99/92/592969992.db2.gz GCHFPDYRGZLORJ-OKZBNKHCSA-N 2 0 333.476 1.953 20 0 EDADRP CCO[C@H]1C[NH2+][C@@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000911635698 592971914 /nfs/dbraw/zinc/97/19/14/592971914.db2.gz LEYJBHFXUMZNAO-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000911720907 592988143 /nfs/dbraw/zinc/98/81/43/592988143.db2.gz KDIVOWXFZORXKS-YRYLYKBFSA-N 2 0 331.460 1.980 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)C(F)(F)C1CC[NH2+]CC1 ZINC000911734711 592992587 /nfs/dbraw/zinc/99/25/87/592992587.db2.gz BDIYRNGHVOPJKW-UHFFFAOYSA-N 2 0 339.390 1.065 20 0 EDADRP [NH3+][C@@]1(C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)C[C@H]1c1ccccc1 ZINC000911736194 592992744 /nfs/dbraw/zinc/99/27/44/592992744.db2.gz QGTDRFSCXOAQRF-LPHOPBHVSA-N 2 0 337.427 1.315 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NC1CCC(C)([NH+]2CCCC2)CC1 ZINC000911312587 592996711 /nfs/dbraw/zinc/99/67/11/592996711.db2.gz JMCISLBZNXMTGH-JGTPUYEMSA-N 2 0 338.496 1.142 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000911762818 592999593 /nfs/dbraw/zinc/99/95/93/592999593.db2.gz DGBSJSCAPJCQBB-VQIMIIECSA-N 2 0 344.459 1.825 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)C1 ZINC000911825226 593017585 /nfs/dbraw/zinc/01/75/85/593017585.db2.gz OFHYMQZCYUQOPC-TZMCWYRMSA-N 2 0 336.505 1.885 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)[C@H]1C[NH3+] ZINC000911826746 593017786 /nfs/dbraw/zinc/01/77/86/593017786.db2.gz RSSNCRGSRQINMD-OCCSQVGLSA-N 2 0 336.505 1.885 20 0 EDADRP CN1CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)[C@H](Cc2ccccc2)C1 ZINC000911900460 593028499 /nfs/dbraw/zinc/02/84/99/593028499.db2.gz PAXDPGRJIOQOJL-RTBURBONSA-N 2 0 343.471 1.092 20 0 EDADRP C[C@@H](O)c1ncc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000809643883 593352165 /nfs/dbraw/zinc/35/21/65/593352165.db2.gz LLBPTXKJUVDZRC-CYBMUJFWSA-N 2 0 326.510 1.702 20 0 EDADRP C[C@@H](CNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)C[NH+](C)C ZINC000813820670 593556535 /nfs/dbraw/zinc/55/65/35/593556535.db2.gz JQPUULKHWNYTPE-HNNXBMFYSA-N 2 0 333.480 1.758 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000817953836 593651817 /nfs/dbraw/zinc/65/18/17/593651817.db2.gz UYEDAIDJYNBJIY-UHFFFAOYSA-N 2 0 348.491 1.150 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)N1CC[NH2+]CC1 ZINC000817974070 593652825 /nfs/dbraw/zinc/65/28/25/593652825.db2.gz XZCJRYWRRYYPHF-ZDUSSCGKSA-N 2 0 337.386 1.098 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC[S@@](=O)C(C)(C)C ZINC000819057126 593736301 /nfs/dbraw/zinc/73/63/01/593736301.db2.gz RRJHHMVVVWJYNL-OPAMFIHVSA-N 2 0 326.506 1.616 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)c1c(F)cccc1F)CN1CC[NH+](C)CC1 ZINC000819058352 593736418 /nfs/dbraw/zinc/73/64/18/593736418.db2.gz IVCYSTNMZVMWQX-CZUORRHYSA-N 2 0 327.419 1.471 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000819268504 593747639 /nfs/dbraw/zinc/74/76/39/593747639.db2.gz RQOANVBKZFPHTE-INIZCTEOSA-N 2 0 341.496 1.726 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000820273664 593805288 /nfs/dbraw/zinc/80/52/88/593805288.db2.gz YZORUHYHGDJJQY-PKOBYXMFSA-N 2 0 345.487 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000820708543 593867848 /nfs/dbraw/zinc/86/78/48/593867848.db2.gz PICXJCYUZJMQDR-RTBURBONSA-N 2 0 345.487 1.395 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000820809968 593895120 /nfs/dbraw/zinc/89/51/20/593895120.db2.gz LYIFJPIZQMFEGK-OAHLLOKOSA-N 2 0 341.496 1.821 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821052689 593954689 /nfs/dbraw/zinc/95/46/89/593954689.db2.gz PCMIRXJXMNONOO-INIZCTEOSA-N 2 0 349.475 1.842 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(-c2nn[nH]n2)cc1 ZINC000824585251 594043172 /nfs/dbraw/zinc/04/31/72/594043172.db2.gz OPFLBBIQJAVYTH-RHSMWYFYSA-N 2 0 344.463 1.754 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C[C@@H]([NH3+])C2CC2)CC1)Cc1ccccc1 ZINC000828714560 594485690 /nfs/dbraw/zinc/48/56/90/594485690.db2.gz DSRNSIMXUJQUPA-LJQANCHMSA-N 2 0 344.503 1.390 20 0 EDADRP [NH3+][C@@H](CC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000829452796 594616456 /nfs/dbraw/zinc/61/64/56/594616456.db2.gz WEAVEVUHSJCCNE-HNNXBMFYSA-N 2 0 325.522 1.982 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH+]2CCN(C)CC2)CC1)[NH+]1CCCCCC1 ZINC000827455526 594673866 /nfs/dbraw/zinc/67/38/66/594673866.db2.gz CMVFRWYOYBNQQS-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cccnc2Cl)(N2CCOCC2)CC1 ZINC000840955095 594832836 /nfs/dbraw/zinc/83/28/36/594832836.db2.gz MQXBYPKFUGHONU-UHFFFAOYSA-N 2 0 338.883 1.621 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH2+][C@@H](C)C3)cc2)CC1 ZINC000841017824 594839663 /nfs/dbraw/zinc/83/96/63/594839663.db2.gz IFLQFLKZXIHWQL-HNNXBMFYSA-N 2 0 331.464 1.654 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NCc2ccc(CC[NH3+])cc2)n1 ZINC000841131152 594856073 /nfs/dbraw/zinc/85/60/73/594856073.db2.gz YLGSQPRWLZPISU-UHFFFAOYSA-N 2 0 330.436 1.268 20 0 EDADRP O=C(C[NH2+]CC1CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841846356 594963764 /nfs/dbraw/zinc/96/37/64/594963764.db2.gz IOFIZGFVGPZKCX-INIZCTEOSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000841846728 594963968 /nfs/dbraw/zinc/96/39/68/594963968.db2.gz MNCMHUKLQWKZIY-JSGCOSHPSA-N 2 0 331.416 1.532 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCO1 ZINC000841850061 594965119 /nfs/dbraw/zinc/96/51/19/594965119.db2.gz WHDNACSULTVLLK-IAGOWNOFSA-N 2 0 340.512 1.790 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898224 594976779 /nfs/dbraw/zinc/97/67/79/594976779.db2.gz KPYBDEHWFQTFRP-MJGOQNOKSA-N 2 0 330.476 1.935 20 0 EDADRP CCCCCCNC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000842478588 595115723 /nfs/dbraw/zinc/11/57/23/595115723.db2.gz IHGPMTVTSCECDE-FUHWJXTLSA-N 2 0 325.497 1.901 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000843501676 595132975 /nfs/dbraw/zinc/13/29/75/595132975.db2.gz NQDAEZAVTHUBCN-IXDOHACOSA-N 2 0 335.423 1.238 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000846144874 595156576 /nfs/dbraw/zinc/15/65/76/595156576.db2.gz KSJBEEWCTHHIKJ-IAGOWNOFSA-N 2 0 332.448 1.068 20 0 EDADRP CC[NH+]1CCN(CCCC[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000842672498 595166550 /nfs/dbraw/zinc/16/65/50/595166550.db2.gz YOGZFZNDHJZTPC-UHFFFAOYSA-N 2 0 342.491 1.775 20 0 EDADRP COc1cccc([C@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000844165893 595288994 /nfs/dbraw/zinc/28/89/94/595288994.db2.gz QFRGHPLYUWIGGD-IRXDYDNUSA-N 2 0 335.448 1.183 20 0 EDADRP Cn1ncc2c1ncnc2N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000844221250 595306280 /nfs/dbraw/zinc/30/62/80/595306280.db2.gz AYGVVIZCSLPKSQ-UHFFFAOYSA-N 2 0 331.468 1.395 20 0 EDADRP Cc1ccc(N2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000844222185 595307028 /nfs/dbraw/zinc/30/70/28/595307028.db2.gz ZIMOEWDCABKMGD-UHFFFAOYSA-N 2 0 330.476 1.329 20 0 EDADRP O=C1O[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CN1C1CC1 ZINC000844287331 595316579 /nfs/dbraw/zinc/31/65/79/595316579.db2.gz LPIKEPCDZZFLLX-KRWDZBQOSA-N 2 0 337.464 1.404 20 0 EDADRP CCN1C[C@@H](CN2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)OC1=O ZINC000846839967 595325024 /nfs/dbraw/zinc/32/50/24/595325024.db2.gz WHRCEABRZWKYCD-FCLJQHQZSA-N 2 0 336.480 1.070 20 0 EDADRP c1cc(-c2noc([C@]34C[NH2+]C[C@H]3COC4)n2)ccc1C[NH+]1CCCC1 ZINC000844907723 595411338 /nfs/dbraw/zinc/41/13/38/595411338.db2.gz UZYYVRXABDUNQE-LPHOPBHVSA-N 2 0 340.427 1.820 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NCCOC)CC1 ZINC000849012034 595474554 /nfs/dbraw/zinc/47/45/54/595474554.db2.gz DRHPKSKDWIMVQP-UHFFFAOYSA-N 2 0 333.480 1.084 20 0 EDADRP C[C@@H]1CCCN(C(=[NH2+])NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000849073100 595478251 /nfs/dbraw/zinc/47/82/51/595478251.db2.gz JMQIBCCWAAQBSV-QGZVFWFLSA-N 3 0 344.507 1.850 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=S)NCC1CC[NH+](C)CC1 ZINC000849276795 595500003 /nfs/dbraw/zinc/50/00/03/595500003.db2.gz PKZTXWYOSQMTKI-HNNXBMFYSA-N 2 0 343.585 1.064 20 0 EDADRP NC(=O)COc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000849350246 595509751 /nfs/dbraw/zinc/50/97/51/595509751.db2.gz MNGNVISZODMGTK-KRWDZBQOSA-N 2 0 331.460 1.762 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486802 595548067 /nfs/dbraw/zinc/54/80/67/595548067.db2.gz JAKVYKLJGBDUTC-ZWKOTPCHSA-N 2 0 347.507 1.448 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849512832 595555814 /nfs/dbraw/zinc/55/58/14/595555814.db2.gz LKUYKGUPRMTHKI-NJAFHUGGSA-N 2 0 347.507 1.304 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[N@@H+]1C1CC1 ZINC000849559314 595567551 /nfs/dbraw/zinc/56/75/51/595567551.db2.gz TUNRUQRJUWSXMR-KCMWZYNZSA-N 2 0 345.491 1.197 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849561875 595568715 /nfs/dbraw/zinc/56/87/15/595568715.db2.gz LOSLOIMVDGHVDE-RNJTYBCJSA-N 2 0 345.491 1.054 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C[C@H]1C ZINC000849569894 595573952 /nfs/dbraw/zinc/57/39/52/595573952.db2.gz XAZHYWKZCMLJSQ-DJIMGWMZSA-N 2 0 333.480 1.008 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849582003 595581347 /nfs/dbraw/zinc/58/13/47/595581347.db2.gz KOIMCJVTTYGMQX-DLBZAZTESA-N 2 0 335.496 1.256 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C=C2CC[NH2+]CC2)CC1 ZINC000852862558 595582994 /nfs/dbraw/zinc/58/29/94/595582994.db2.gz BHENLIILEXMFGU-CALCHBBNSA-N 2 0 334.508 1.313 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cn[nH]c2[C@H]2CC[NH2+]C2)cc1F ZINC000852869485 595589750 /nfs/dbraw/zinc/58/97/50/595589750.db2.gz GDMPABLBDWGSSB-NSHDSACASA-N 2 0 331.395 1.940 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccccn1 ZINC000853103671 595665666 /nfs/dbraw/zinc/66/56/66/595665666.db2.gz CRPXVESMIRMXDR-HKUYNNGSSA-N 2 0 327.428 1.471 20 0 EDADRP OCc1cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc[nH+]1 ZINC000858376564 595779172 /nfs/dbraw/zinc/77/91/72/595779172.db2.gz NBFJMBSQUIYIMM-UHFFFAOYSA-N 3 0 327.432 1.593 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851666775 595876088 /nfs/dbraw/zinc/87/60/88/595876088.db2.gz IUJVUEVSTHZXMG-OCCSQVGLSA-N 2 0 330.423 1.690 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000851951898 595984047 /nfs/dbraw/zinc/98/40/47/595984047.db2.gz GVBQHRHUVFIQDW-PMPSAXMXSA-N 2 0 329.485 1.534 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CCO1 ZINC000856431989 595989112 /nfs/dbraw/zinc/98/91/12/595989112.db2.gz VXRKVWHTRPHBLR-IBGZPJMESA-N 2 0 347.503 1.974 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCC3OCCO3)C2)ccn1 ZINC000856585472 596022934 /nfs/dbraw/zinc/02/29/34/596022934.db2.gz GGXQFWVAEREHCD-QGZVFWFLSA-N 2 0 335.448 1.749 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861553467 596027553 /nfs/dbraw/zinc/02/75/53/596027553.db2.gz ARMOXOUPVRPNIA-HNNXBMFYSA-N 2 0 336.480 1.896 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000861647242 596056321 /nfs/dbraw/zinc/05/63/21/596056321.db2.gz FMGZRMYGNCETIN-MRXNPFEDSA-N 2 0 326.485 1.306 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)CS(N)(=O)=O)[C@@H](C)C1 ZINC000866570473 596254323 /nfs/dbraw/zinc/25/43/23/596254323.db2.gz MEFDQDIYPUPSCH-GJZGRUSLSA-N 2 0 349.541 1.028 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccnc3N3CCCC3)CC[C@H]21 ZINC000868765405 596299078 /nfs/dbraw/zinc/29/90/78/596299078.db2.gz TZRFFQGBUHQVEW-DLBZAZTESA-N 2 0 343.475 1.917 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000866708121 596302722 /nfs/dbraw/zinc/30/27/22/596302722.db2.gz LKXXKOQXEJSOFZ-IMJJTQAJSA-N 2 0 335.379 1.071 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)CCC23CC(C2)C[NH2+]3)[C@@H](C)C1 ZINC000870887733 596391059 /nfs/dbraw/zinc/39/10/59/596391059.db2.gz GQJOLKBSMHBPIA-SDDULXJBSA-N 2 0 337.508 1.772 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000870928800 596409215 /nfs/dbraw/zinc/40/92/15/596409215.db2.gz RNFBBWFFJPJDHF-OTWHNJEPSA-N 2 0 345.487 1.911 20 0 EDADRP C[C@@H](C[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000865451080 596579421 /nfs/dbraw/zinc/57/94/21/596579421.db2.gz YGWKTINMQAWZLM-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP CC[C@H](CC(F)F)C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863546729 596613667 /nfs/dbraw/zinc/61/36/67/596613667.db2.gz FNNDWDRLMAYYTP-BNOWGMLFSA-N 2 0 331.407 1.925 20 0 EDADRP CC[C@@H]1[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)CCN1C(=O)OC(C)(C)C ZINC000863576871 596624609 /nfs/dbraw/zinc/62/46/09/596624609.db2.gz TYFMHKOUQIBELZ-OWCLPIDISA-N 2 0 341.496 1.821 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000865656062 596640430 /nfs/dbraw/zinc/64/04/30/596640430.db2.gz RECWCLQXJBZDCA-KRWDZBQOSA-N 2 0 335.492 1.562 20 0 EDADRP C[N@H+](CC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2)[C@H]1CCSC1 ZINC000869815556 596646988 /nfs/dbraw/zinc/64/69/88/596646988.db2.gz QDSCTLJIHIZAIW-KRWDZBQOSA-N 2 0 345.512 1.768 20 0 EDADRP C[NH+](C)CCOc1ccc(CNc2cc3n(n2)CC[N@H+](C)C3)cc1 ZINC000865844295 596700961 /nfs/dbraw/zinc/70/09/61/596700961.db2.gz HZFTXDTXKWFMLW-UHFFFAOYSA-N 2 0 329.448 1.881 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)Nc1cccc(C[NH3+])c1 ZINC000868165116 596707559 /nfs/dbraw/zinc/70/75/59/596707559.db2.gz VKLRKXRNPGPIHM-UHFFFAOYSA-N 2 0 334.464 1.967 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000868168696 596708574 /nfs/dbraw/zinc/70/85/74/596708574.db2.gz XDGNTLBCVDOPSV-IAGOWNOFSA-N 3 0 347.507 1.609 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2C2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870016374 596708741 /nfs/dbraw/zinc/70/87/41/596708741.db2.gz MAKDLGSAAWPULZ-ZJPYXAASSA-N 2 0 337.508 1.247 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(C(C)(C)C)n2)C[C@H]1C[NH+](C)C ZINC000870017137 596709502 /nfs/dbraw/zinc/70/95/02/596709502.db2.gz GUSHLNWVTFJKNF-HUUCEWRRSA-N 2 0 335.496 1.450 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nc3cnccc3s2)C[C@H]1C[NH+](C)C ZINC000870017769 596710161 /nfs/dbraw/zinc/71/01/61/596710161.db2.gz GPAFOZSEPZNYQN-CHWSQXEVSA-N 2 0 347.488 1.503 20 0 EDADRP Cc1csc([C@@H](C)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870018402 596710322 /nfs/dbraw/zinc/71/03/22/596710322.db2.gz PTNZHLYQGBAFSY-RBSFLKMASA-N 2 0 338.521 1.753 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cn3ccnc3s2)C[C@H]1C[NH+](C)C ZINC000870019329 596710669 /nfs/dbraw/zinc/71/06/69/596710669.db2.gz FCVYCXDAYFYIHC-CHWSQXEVSA-N 2 0 335.477 1.207 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2coc(C3CCC3)n2)C[C@H]1C[NH+](C)C ZINC000870019367 596710800 /nfs/dbraw/zinc/71/08/00/596710800.db2.gz WEZDAUIVJLQSIT-HUUCEWRRSA-N 2 0 334.464 1.754 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c(O)cccc2Cl)C[C@H]1C[NH+](C)C ZINC000870022338 596712492 /nfs/dbraw/zinc/71/24/92/596712492.db2.gz QLQNLLHPKNDNFN-CHWSQXEVSA-N 2 0 339.867 1.857 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccnc2C2CC2)C[C@H]1C[NH+](C)C ZINC000870021828 596712538 /nfs/dbraw/zinc/71/25/38/596712538.db2.gz LIVRGPOFRXAUPP-HZPDHXFCSA-N 2 0 330.476 1.770 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc(F)c2F)C[C@H]1C[NH+](C)C ZINC000870022622 596713054 /nfs/dbraw/zinc/71/30/54/596713054.db2.gz XIAVCDUFLNMAOS-CHWSQXEVSA-N 2 0 325.403 1.776 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc3c(c2)CCC3)C[C@H]1C[NH+](C)C ZINC000870025111 596714674 /nfs/dbraw/zinc/71/46/74/596714674.db2.gz ZCCBBARDTPQNTH-WOJBJXKFSA-N 2 0 343.515 1.916 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868232182 596738010 /nfs/dbraw/zinc/73/80/10/596738010.db2.gz MRWBBUCIMCXMTH-BEMMVCDISA-N 2 0 342.443 1.039 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc(NS(C)(=O)=O)c2)C1 ZINC000864055336 596745730 /nfs/dbraw/zinc/74/57/30/596745730.db2.gz NOIBTUDHMNHZRL-OAHLLOKOSA-N 2 0 325.478 1.926 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000864063081 596748697 /nfs/dbraw/zinc/74/86/97/596748697.db2.gz WUSNMSNHANPQFI-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000868300553 596775875 /nfs/dbraw/zinc/77/58/75/596775875.db2.gz JGUHOIDIQPXLTF-UHFFFAOYSA-N 2 0 346.475 1.771 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2C[C@H]2CC3(CO2)CCOCC3)C1 ZINC000872145169 596809872 /nfs/dbraw/zinc/80/98/72/596809872.db2.gz PJHBUNOZVVBXFW-TVFCKZIOSA-N 2 0 338.492 1.933 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])[C@@H](C)C1 ZINC000872191233 596828125 /nfs/dbraw/zinc/82/81/25/596828125.db2.gz XUEHTBQNRIPXLQ-JKSUJKDBSA-N 2 0 340.512 1.153 20 0 EDADRP CC(C)[NH+]1CCC(CC[NH2+]C[C@@H](O)COC2CCOCC2)CC1 ZINC000872222874 596842050 /nfs/dbraw/zinc/84/20/50/596842050.db2.gz HFKWWXLZYJGQBH-QGZVFWFLSA-N 2 0 328.497 1.643 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(C/C=C\c2ccc(F)cc2F)C1 ZINC000872254773 596855445 /nfs/dbraw/zinc/85/54/45/596855445.db2.gz CYISDNMDEUUCQY-WCUHEIEPSA-N 2 0 349.381 1.845 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@H]2CCCN(CC(F)F)C2)CCSC1 ZINC000866333878 596860031 /nfs/dbraw/zinc/86/00/31/596860031.db2.gz OTMPQAOXNWMPJF-IUODEOHRSA-N 2 0 335.464 1.517 20 0 EDADRP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCN(CC(C)(C)O)C2)cc1 ZINC000866411736 596879534 /nfs/dbraw/zinc/87/95/34/596879534.db2.gz VCPLMDWHXXKISY-HOCLYGCPSA-N 2 0 349.475 1.847 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+][C@H]2CCN(CC(C)(C)O)C2)c2ccccc21 ZINC000866412499 596880290 /nfs/dbraw/zinc/88/02/90/596880290.db2.gz JTBYRMBLRQUOAW-RDJZCZTQSA-N 2 0 331.460 1.919 20 0 EDADRP Cc1ccnc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000875621085 596922312 /nfs/dbraw/zinc/92/23/12/596922312.db2.gz GUAKYFSVVMGZOR-HZPDHXFCSA-N 2 0 333.480 1.271 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000874365656 597037257 /nfs/dbraw/zinc/03/72/57/597037257.db2.gz RUXLTZKAPREFGW-SJORKVTESA-N 2 0 344.459 1.382 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NC[C@H]2CC[NH+]2C2CCCCCC2)C1 ZINC000876202373 597132450 /nfs/dbraw/zinc/13/24/50/597132450.db2.gz MWYDADFQAMTUSV-SJLPKXTDSA-N 2 0 338.496 1.149 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+]Cc1cc2c(s1)CC[NH2+]C2)N1CC[NH2+]CC1 ZINC000873212444 597229781 /nfs/dbraw/zinc/22/97/81/597229781.db2.gz KMVIIPSXROOXPY-CQSZACIVSA-N 3 0 348.438 1.320 20 0 EDADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)[nH]n1 ZINC000873226804 597233807 /nfs/dbraw/zinc/23/38/07/597233807.db2.gz BOMMRQTVPJYHFT-JKSUJKDBSA-N 2 0 347.507 1.910 20 0 EDADRP CC1([NH+]2CCCCC2)CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000873227138 597234352 /nfs/dbraw/zinc/23/43/52/597234352.db2.gz HJLQFERYDKILEG-KRWDZBQOSA-N 3 0 336.524 1.524 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2nn(C)cc2C(F)F)CC[NH2+]CC1 ZINC000873261723 597241586 /nfs/dbraw/zinc/24/15/86/597241586.db2.gz GNTUYNNQBGGPGN-NSHDSACASA-N 2 0 344.406 1.769 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)cc1 ZINC000873261024 597241641 /nfs/dbraw/zinc/24/16/41/597241641.db2.gz ANRGYFOMWIYNFM-BBRMVZONSA-N 2 0 325.478 1.115 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CC2(CO1)CC[NH2+]CC2)c1cccc(-n2cnnn2)c1 ZINC000873291198 597249346 /nfs/dbraw/zinc/24/93/46/597249346.db2.gz VIZCJXBDWMXGBE-WMLDXEAASA-N 2 0 342.447 1.472 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000876722599 597306127 /nfs/dbraw/zinc/30/61/27/597306127.db2.gz ZMZMZVQWGBWHCW-BXWFABGCSA-N 2 0 346.519 1.670 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)ccc1OCC[NH+](C)C ZINC000876731227 597310729 /nfs/dbraw/zinc/31/07/29/597310729.db2.gz OPWITQJRXUBQSW-WKILWMFISA-N 2 0 349.475 1.769 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000876734957 597313260 /nfs/dbraw/zinc/31/32/60/597313260.db2.gz XEWAIZNAMMBQNF-JKSUJKDBSA-N 2 0 333.480 1.576 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000876739260 597315617 /nfs/dbraw/zinc/31/56/17/597315617.db2.gz BUJAGMMSGYLGCA-DLBZAZTESA-N 2 0 347.507 1.966 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H](F)[C@H]3CC[NH2+]C3)CCCC2)CC1 ZINC000876759296 597326397 /nfs/dbraw/zinc/32/63/97/597326397.db2.gz OJARTWUWVICDTG-GOEBONIOSA-N 2 0 341.471 1.474 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000876761095 597326733 /nfs/dbraw/zinc/32/67/33/597326733.db2.gz ZDPWVCHBQOGFSU-AZUAARDMSA-N 2 0 344.503 1.390 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876768479 597331907 /nfs/dbraw/zinc/33/19/07/597331907.db2.gz WBIZVDNMUMGMKD-ZOBUZTSGSA-N 2 0 332.492 1.148 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3(C)C)nc2)CC1 ZINC000876784425 597339736 /nfs/dbraw/zinc/33/97/36/597339736.db2.gz FQMPMOSXFYTQSL-CVEARBPZSA-N 2 0 345.491 1.924 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000876839653 597354872 /nfs/dbraw/zinc/35/48/72/597354872.db2.gz ZVCUGZYZLYTODB-DLBZAZTESA-N 2 0 331.460 1.298 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876876839 597365745 /nfs/dbraw/zinc/36/57/45/597365745.db2.gz VPGDPLGHTVVIDG-HNNXBMFYSA-N 2 0 326.872 1.119 20 0 EDADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876887003 597369615 /nfs/dbraw/zinc/36/96/15/597369615.db2.gz HFLFCOFTRYIQKC-MJSXRHKHSA-N 2 0 328.460 1.970 20 0 EDADRP Cc1cnc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000875315805 597380356 /nfs/dbraw/zinc/38/03/56/597380356.db2.gz ZHMSFMYBANVSLP-ZIAGYGMSSA-N 2 0 339.509 1.332 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000876955992 597395741 /nfs/dbraw/zinc/39/57/41/597395741.db2.gz DIYIUCCKJXBAKP-JKSUJKDBSA-N 2 0 347.507 1.966 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000876962335 597398732 /nfs/dbraw/zinc/39/87/32/597398732.db2.gz PNOCVAHBQRBTMC-IDOMTICXSA-N 2 0 342.487 1.966 20 0 EDADRP [NH3+]C[C@@H]1CC(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000877143258 597442122 /nfs/dbraw/zinc/44/21/22/597442122.db2.gz JJLJXRJVDJMXRO-SJORKVTESA-N 2 0 344.459 1.651 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877225534 597466857 /nfs/dbraw/zinc/46/68/57/597466857.db2.gz VJOTVYHIYRYLKU-INIZCTEOSA-N 2 0 347.459 1.047 20 0 EDADRP Cc1cccc(NC(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000873983000 597478858 /nfs/dbraw/zinc/47/88/58/597478858.db2.gz NAJYZIALTDRZII-HZPDHXFCSA-N 2 0 346.475 1.131 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000877265841 597483245 /nfs/dbraw/zinc/48/32/45/597483245.db2.gz NWOHXWITUPYWHO-DZGCQCFKSA-N 2 0 334.489 1.824 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2CC[NH2+]C3)C[C@H]1C(F)(F)F ZINC000877355626 597499833 /nfs/dbraw/zinc/49/98/33/597499833.db2.gz NZGWQFHVQHVPSL-BXUZGUMPSA-N 2 0 327.350 1.542 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H]1C(F)(F)F ZINC000877358345 597500753 /nfs/dbraw/zinc/50/07/53/597500753.db2.gz BMGOWJLZKGHOMM-UXAWBVGHSA-N 2 0 333.398 1.736 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@]34CCC[C@@H]3[NH2+]CC4)cc2)CC1 ZINC000877391138 597507954 /nfs/dbraw/zinc/50/79/54/597507954.db2.gz NIXIPCREERNQLA-AZUAARDMSA-N 2 0 342.487 1.843 20 0 EDADRP O[C@H](C[C@H](O)C[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000878191014 597585537 /nfs/dbraw/zinc/58/55/37/597585537.db2.gz MZHTTZCHJHDVBS-RBUKOAKNSA-N 2 0 327.428 1.688 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)CC1(O)CCCCC1 ZINC000878316172 597594864 /nfs/dbraw/zinc/59/48/64/597594864.db2.gz CAYRCCQELYGKPE-KRWDZBQOSA-N 2 0 327.513 1.002 20 0 EDADRP CCCCO[C@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)C1(C)C ZINC000878599413 597650179 /nfs/dbraw/zinc/65/01/79/597650179.db2.gz MFZPFRYUXMTEON-HOTGVXAUSA-N 2 0 325.497 1.770 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H]1CCC2(CCOCC2)O1)CC[NH+](C)C ZINC000878623787 597659704 /nfs/dbraw/zinc/65/97/04/597659704.db2.gz XGVOWYUMMNUSTB-KRWDZBQOSA-N 2 0 327.513 1.530 20 0 EDADRP Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3CCC(=O)N2CCN(C)CC2)no1 ZINC000879681783 597684544 /nfs/dbraw/zinc/68/45/44/597684544.db2.gz HZYLITFWBUPCGM-MQVJKMGUSA-N 2 0 347.463 1.253 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCCOC1 ZINC000883208931 597686527 /nfs/dbraw/zinc/68/65/27/597686527.db2.gz RELMEHDBJQJTHM-IAGOWNOFSA-N 2 0 337.464 1.553 20 0 EDADRP COC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CCCOC1 ZINC000883234463 597691389 /nfs/dbraw/zinc/69/13/89/597691389.db2.gz GMEWKYXIUFVRDI-AQNXPRMDSA-N 2 0 348.487 1.784 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CC[NH+]2CC)[C@H](C)C1 ZINC000883420325 597740452 /nfs/dbraw/zinc/74/04/52/597740452.db2.gz IINRPFSPTBHKMJ-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP CCOC(=O)c1csc(CC2CC[NH+](CCOCC[NH3+])CC2)n1 ZINC000883448246 597750702 /nfs/dbraw/zinc/75/07/02/597750702.db2.gz YQJFZMNVEKENBQ-UHFFFAOYSA-N 2 0 341.477 1.550 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883585904 597814479 /nfs/dbraw/zinc/81/44/79/597814479.db2.gz AMCLCXDSLQZTRT-WBAXXEDZSA-N 2 0 343.475 1.924 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586380 597814658 /nfs/dbraw/zinc/81/46/58/597814658.db2.gz KQHKZHAKMJOLQB-YOEHRIQHSA-N 2 0 331.464 1.830 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883587043 597815382 /nfs/dbraw/zinc/81/53/82/597815382.db2.gz YRTMRFKDCPXNGC-SJLPKXTDSA-N 2 0 343.475 1.845 20 0 EDADRP COCC[N@@H+](CC(=O)NCc1ccccc1C)CC1CC[NH+](C)CC1 ZINC000879123741 597826266 /nfs/dbraw/zinc/82/62/66/597826266.db2.gz YCXKKFUBDIRPAD-UHFFFAOYSA-N 2 0 347.503 1.901 20 0 EDADRP C[C@@H]1CN(CC(=O)NC2CC[NH+](C)CC2)CC[C@@H](C(F)(F)F)O1 ZINC000880064274 597828126 /nfs/dbraw/zinc/82/81/26/597828126.db2.gz LOQLIRHWLOXKGL-YPMHNXCESA-N 2 0 337.386 1.239 20 0 EDADRP CC(C)(C)NC(=O)NC(=O)C[NH2+][C@@H](Cn1ccnc1)c1ccccc1 ZINC000880568033 597966683 /nfs/dbraw/zinc/96/66/83/597966683.db2.gz RWHKCHDIJLBURR-HNNXBMFYSA-N 2 0 343.431 1.838 20 0 EDADRP c1ncc2c(n1)CC[NH+](CCCCC[N@@H+]1CCc3ncncc3C1)C2 ZINC000880596309 597976543 /nfs/dbraw/zinc/97/65/43/597976543.db2.gz JPDLFOFVOMQYQX-UHFFFAOYSA-N 2 0 338.459 1.853 20 0 EDADRP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000884212348 598031040 /nfs/dbraw/zinc/03/10/40/598031040.db2.gz CCEHVCVTYOZZDR-RDJZCZTQSA-N 2 0 327.428 1.903 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000884223728 598035459 /nfs/dbraw/zinc/03/54/59/598035459.db2.gz XRBRJHIFCBMZHR-ZOBUZTSGSA-N 2 0 333.476 1.623 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000884265906 598047695 /nfs/dbraw/zinc/04/76/95/598047695.db2.gz WYLFKDYBOOQRPL-CHWSQXEVSA-N 2 0 326.238 1.707 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884269909 598049565 /nfs/dbraw/zinc/04/95/65/598049565.db2.gz BRJKOOLFJCJIEA-JIMOISOXSA-N 2 0 326.238 1.563 20 0 EDADRP C[C@H]1Cc2cn[nH]c2[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000881020767 598054437 /nfs/dbraw/zinc/05/44/37/598054437.db2.gz PEHGFVCOAOFGPZ-SVGFKBNWSA-N 2 0 347.507 1.273 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884303394 598059769 /nfs/dbraw/zinc/05/97/69/598059769.db2.gz NMWMXSDMRPMZPZ-OASPWFOLSA-N 2 0 326.238 1.693 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884381476 598086874 /nfs/dbraw/zinc/08/68/74/598086874.db2.gz GUBCFNQRQQUZAA-QGZVFWFLSA-N 2 0 344.459 1.265 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@H]([NH3+])Cc1cc3ccccc3o1)C2 ZINC000884443039 598106654 /nfs/dbraw/zinc/10/66/54/598106654.db2.gz XZRGFABVHFTPGO-LZQZEXGQSA-N 2 0 327.428 1.761 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NCc2cccc3c2CC[NH2+]C3)c1 ZINC000884451575 598108917 /nfs/dbraw/zinc/10/89/17/598108917.db2.gz UMEIQVIXVFWBJE-UHFFFAOYSA-N 2 0 339.439 1.861 20 0 EDADRP Cn1cncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995014709 699968359 /nfs/dbraw/zinc/96/83/59/699968359.db2.gz MRKXTUPHLZXDDN-HZPDHXFCSA-N 2 0 345.491 1.423 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000914075694 695070974 /nfs/dbraw/zinc/07/09/74/695070974.db2.gz FSLIGEJKLFDMPL-OAGGEKHMSA-N 2 0 340.537 1.597 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]CCO)[C@H]3C2)c1 ZINC000992925647 695457162 /nfs/dbraw/zinc/45/71/62/695457162.db2.gz LACAYHWDDGDUIX-FHWLQOOXSA-N 2 0 345.487 1.571 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CCN1c1cc[nH+]cc1 ZINC000915266810 695774192 /nfs/dbraw/zinc/77/41/92/695774192.db2.gz IQLGWANZZSHZJX-OAHLLOKOSA-N 2 0 339.443 1.889 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000915360465 695801113 /nfs/dbraw/zinc/80/11/13/695801113.db2.gz GJWFGKYPISHCRW-GOEBONIOSA-N 2 0 334.464 1.519 20 0 EDADRP CN(C)Cc1csc(CNC(=O)NCC[N@H+](C)C2CCCC2)n1 ZINC000916973312 696866947 /nfs/dbraw/zinc/86/69/47/696866947.db2.gz YSHMJBNBOARZAW-UHFFFAOYSA-N 2 0 339.509 1.878 20 0 EDADRP Cc1cncc(C[N@H+]2CCC[C@H](NC(=O)Cn3ccnc3)[C@H]2C)c1 ZINC000994511158 696955936 /nfs/dbraw/zinc/95/59/36/696955936.db2.gz VOJYWWKGTYFOBX-WBVHZDCISA-N 2 0 327.432 1.756 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCC[N@H+](C)C1CC1 ZINC000918179505 697139261 /nfs/dbraw/zinc/13/92/61/697139261.db2.gz IGXBOAZGQPDGQT-MRXNPFEDSA-N 2 0 338.496 1.365 20 0 EDADRP COc1ccc(C)cc1C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001031577708 697274070 /nfs/dbraw/zinc/27/40/70/697274070.db2.gz OPZXJHDMJWQNPR-QGZVFWFLSA-N 2 0 331.460 1.646 20 0 EDADRP Cc1cccnc1CN1CC(CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)C1 ZINC001031668278 697459708 /nfs/dbraw/zinc/45/97/08/697459708.db2.gz CBWNINVLNUPOPB-MSOLQXFVSA-N 2 0 342.487 1.812 20 0 EDADRP O=C(NCC1C[NH+](CCC[C@H]2CCOC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031675146 697484731 /nfs/dbraw/zinc/48/47/31/697484731.db2.gz WYEXNLQGPSUVHA-YJBOKZPZSA-N 2 0 335.492 1.193 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCOCC2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675457 697485353 /nfs/dbraw/zinc/48/53/53/697485353.db2.gz IXANSQPVTZXBHV-LJQANCHMSA-N 2 0 349.519 1.583 20 0 EDADRP CN(C)c1cc[nH+]c(CNS(=O)(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000921023984 697503410 /nfs/dbraw/zinc/50/34/10/697503410.db2.gz BJCGGCWQFSVMTJ-UHFFFAOYSA-N 2 0 348.472 1.688 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689086 697524408 /nfs/dbraw/zinc/52/44/08/697524408.db2.gz RUHBMEDTMGHJEF-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[N@H+](C)CCCOC)cc2)CC1 ZINC000921192819 697528369 /nfs/dbraw/zinc/52/83/69/697528369.db2.gz APMJSDIYTLFMGR-UHFFFAOYSA-N 2 0 348.491 1.735 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@@H]2CCOC2)CC1 ZINC000940109078 700221728 /nfs/dbraw/zinc/22/17/28/700221728.db2.gz LBOUAARVMJHFCN-DLBZAZTESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1C[N@H+](CCCF)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943514513 698428091 /nfs/dbraw/zinc/42/80/91/698428091.db2.gz DCNCRJDLSOQPOA-GOEBONIOSA-N 2 0 339.459 1.245 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941486861 701555646 /nfs/dbraw/zinc/55/56/46/701555646.db2.gz AIMVMWAXLSQFGY-UHFFFAOYSA-N 2 0 339.443 1.186 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939063266 699110364 /nfs/dbraw/zinc/11/03/64/699110364.db2.gz CGOBOIJTJOBPOS-DYVFJYSZSA-N 2 0 331.464 1.063 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939064182 699131433 /nfs/dbraw/zinc/13/14/33/699131433.db2.gz RWBLHYXFKWLAAF-DNVCBOLYSA-N 2 0 345.487 1.457 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)o1 ZINC000939138241 699230316 /nfs/dbraw/zinc/23/03/16/699230316.db2.gz UWVAQTAVXDCXRF-XJKSGUPXSA-N 2 0 348.491 1.960 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603755 701593569 /nfs/dbraw/zinc/59/35/69/701593569.db2.gz NZMITYSBXXFTOV-IEBWSBKVSA-N 2 0 348.535 1.632 20 0 EDADRP C[C@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CC1CCCC1 ZINC000939293372 699480667 /nfs/dbraw/zinc/48/06/67/699480667.db2.gz SLKBWRSHCJEGOU-MAUKXSAKSA-N 2 0 347.507 1.685 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C1 ZINC000941607923 701595193 /nfs/dbraw/zinc/59/51/93/701595193.db2.gz ZBGROIDCFIFYRM-UHFFFAOYSA-N 2 0 344.503 1.599 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939394100 699544469 /nfs/dbraw/zinc/54/44/69/699544469.db2.gz AOZRTWKQQRFOGO-CRAIPNDOSA-N 2 0 347.507 1.397 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c1 ZINC000939544791 699686870 /nfs/dbraw/zinc/68/68/70/699686870.db2.gz MTOGLWDHSUYGSB-YJBOKZPZSA-N 2 0 343.471 1.728 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccns1 ZINC000939551249 699700406 /nfs/dbraw/zinc/70/04/06/699700406.db2.gz RNEGFZSGVVFGLP-SWLSCSKDSA-N 2 0 345.472 1.854 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccnc(N(C)C)c1 ZINC000939753543 699903126 /nfs/dbraw/zinc/90/31/26/699903126.db2.gz GRQXGILFQLDSPJ-NVXWUHKLSA-N 2 0 345.491 1.180 20 0 EDADRP COCc1cccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)c1 ZINC000939753722 699903497 /nfs/dbraw/zinc/90/34/97/699903497.db2.gz HTKREALZFUJUSK-VQIMIIECSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939812943 699960514 /nfs/dbraw/zinc/96/05/14/699960514.db2.gz WVULRIPUPAINNM-WBVHZDCISA-N 2 0 333.480 1.233 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000940144796 700274608 /nfs/dbraw/zinc/27/46/08/700274608.db2.gz ODPKMXZZSNRBBO-UHFFFAOYSA-N 2 0 330.436 1.247 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CCC1 ZINC000940153938 700283332 /nfs/dbraw/zinc/28/33/32/700283332.db2.gz GQNPNJAPKHZXQU-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1)C1CCC1 ZINC000940153955 700283410 /nfs/dbraw/zinc/28/34/10/700283410.db2.gz HWYWKWZOURCAEP-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000940179231 700312593 /nfs/dbraw/zinc/31/25/93/700312593.db2.gz RTGDIUVGHASELM-QGZVFWFLSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nocc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940327421 700504357 /nfs/dbraw/zinc/50/43/57/700504357.db2.gz BBRKDYBISQGSSU-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940328965 700507743 /nfs/dbraw/zinc/50/77/43/700507743.db2.gz OZXPOKSPJVKUMF-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000940329871 700509700 /nfs/dbraw/zinc/50/97/00/700509700.db2.gz ZBLBUOAKFCKNHT-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995068021 700532714 /nfs/dbraw/zinc/53/27/14/700532714.db2.gz BHMVTYHVCOVHHZ-WMLDXEAASA-N 2 0 334.464 1.699 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3ccnn3C)CC2)CC1 ZINC000940393163 700569990 /nfs/dbraw/zinc/56/99/90/700569990.db2.gz WCLLAFWRYVDEHC-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1nnsc1C[NH2+]C1(C)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427910 700622149 /nfs/dbraw/zinc/62/21/49/700622149.db2.gz RUDYYZKPZGVKCQ-UHFFFAOYSA-N 2 0 349.504 1.413 20 0 EDADRP CC1(C)CO[C@H](C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000940428174 700622385 /nfs/dbraw/zinc/62/23/85/700622385.db2.gz WQGJYUQZUKURSO-INIZCTEOSA-N 2 0 349.519 1.868 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000940472226 700657502 /nfs/dbraw/zinc/65/75/02/700657502.db2.gz NVHWPKOHVZNYJD-UHFFFAOYSA-N 2 0 347.507 1.767 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2ncnn2C)CC1 ZINC000940472378 700657863 /nfs/dbraw/zinc/65/78/63/700657863.db2.gz VCDIGCQOKJWWFE-GJZGRUSLSA-N 2 0 348.495 1.159 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940472783 700658181 /nfs/dbraw/zinc/65/81/81/700658181.db2.gz XQNSBZUEEGPGSO-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000940457543 700661090 /nfs/dbraw/zinc/66/10/90/700661090.db2.gz JZBCJUYBXOWUKV-OAHLLOKOSA-N 2 0 346.475 1.513 20 0 EDADRP COc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457736 700661637 /nfs/dbraw/zinc/66/16/37/700661637.db2.gz RTOQZNPEGCLLFZ-INIZCTEOSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)s1 ZINC000940461514 700664621 /nfs/dbraw/zinc/66/46/21/700664621.db2.gz FLQCJRWOVYMIQY-UHFFFAOYSA-N 2 0 337.493 1.413 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)Cn3ccnc3)CC2)o1 ZINC000940482804 700670614 /nfs/dbraw/zinc/67/06/14/700670614.db2.gz SHEPWZCPTAZZIL-UHFFFAOYSA-N 2 0 346.435 1.560 20 0 EDADRP Cc1nnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995081492 700711815 /nfs/dbraw/zinc/71/18/15/700711815.db2.gz VHCQUHLDOVIYHW-ZFWWWQNUSA-N 2 0 335.452 1.094 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169898 701668313 /nfs/dbraw/zinc/66/83/13/701668313.db2.gz VZJLJQDHFYEVMJ-SJLPKXTDSA-N 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C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CCO)CC2(C)C)cc1 ZINC000941094059 701132337 /nfs/dbraw/zinc/13/23/37/701132337.db2.gz WOWIFMQYMRNYRN-QGZVFWFLSA-N 2 0 333.476 1.571 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@@H+](C[C@H](C)O)CC2(C)C)CC1 ZINC000941139536 701199711 /nfs/dbraw/zinc/19/97/11/701199711.db2.gz VMBXEBLNBWKSCC-DOTOQJQBSA-N 2 0 339.524 1.704 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCN(Cc3ccon3)CC2(C)C)C1 ZINC000941163988 701229108 /nfs/dbraw/zinc/22/91/08/701229108.db2.gz RDSIPVCTRAZWQA-HOCLYGCPSA-N 2 0 334.464 1.733 20 0 EDADRP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941217146 701403443 /nfs/dbraw/zinc/40/34/43/701403443.db2.gz KDWQSKFIHYFSJG-RDJZCZTQSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)Cn3ccnc3C)C(C)(C)C2)o1 ZINC000941224506 701414589 /nfs/dbraw/zinc/41/45/89/701414589.db2.gz WILAJUQSKDZGLB-MRXNPFEDSA-N 2 0 345.447 1.905 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3c[nH+]ccc3N(C)C)C2)O1 ZINC001032132046 701859257 /nfs/dbraw/zinc/85/92/57/701859257.db2.gz GGTWFGGWJDFNLQ-UKRRQHHQSA-N 2 0 332.448 1.377 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001032133677 701889117 /nfs/dbraw/zinc/88/91/17/701889117.db2.gz JRBSEGKSXDXMTH-UHFFFAOYSA-N 2 0 338.402 1.855 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001032134533 701891407 /nfs/dbraw/zinc/89/14/07/701891407.db2.gz YITNJFNQXXHAHL-KXBFYZLASA-N 2 0 344.459 1.236 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cc4n(n3)CCC4)C2)CC[N@@H+]1C ZINC000999189602 706631958 /nfs/dbraw/zinc/63/19/58/706631958.db2.gz MAFUGNVGQBLLCW-IIDMSEBBSA-N 2 0 345.491 1.250 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](Cc2ccccc2N(C)C)C1 ZINC001031977818 702038158 /nfs/dbraw/zinc/03/81/58/702038158.db2.gz JCUJPCDKMPSDLZ-MAUKXSAKSA-N 2 0 344.503 1.498 20 0 EDADRP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980592 702139358 /nfs/dbraw/zinc/13/93/58/702139358.db2.gz WERAXJFASQJAJP-QFBILLFUSA-N 2 0 329.488 1.783 20 0 EDADRP CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995891781 702190350 /nfs/dbraw/zinc/19/03/50/702190350.db2.gz DHEYFFHXDHNXGX-IAGOWNOFSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cnc(CN[C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995891743 702190367 /nfs/dbraw/zinc/19/03/67/702190367.db2.gz CVWGJUIDZXSQKZ-ZBFHGGJFSA-N 2 0 334.464 1.650 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)CCC1 ZINC000995884594 702218539 /nfs/dbraw/zinc/21/85/39/702218539.db2.gz GQERSADQMKQWIA-INIZCTEOSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)on1 ZINC000995890506 702231566 /nfs/dbraw/zinc/23/15/66/702231566.db2.gz BNVUHSUXDNVXDX-HOTGVXAUSA-N 2 0 334.464 1.650 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999224596 706658322 /nfs/dbraw/zinc/65/83/22/706658322.db2.gz RGDGFBXDOUSMOP-UHFFFAOYSA-N 2 0 334.464 1.936 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2OC)C(C)(C)C1)[NH+](C)C ZINC000995953371 702316692 /nfs/dbraw/zinc/31/66/92/702316692.db2.gz UQSPBYSOKRKYNB-CVEARBPZSA-N 2 0 348.491 1.757 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CC[C@H]3CCCC3(F)F)C2)C1 ZINC001032186426 702325754 /nfs/dbraw/zinc/32/57/54/702325754.db2.gz QBYPHXSOZPNUQS-HUUCEWRRSA-N 2 0 329.435 1.812 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H](NCc2csnn2)C(C)(C)C1 ZINC000995982843 702342711 /nfs/dbraw/zinc/34/27/11/702342711.db2.gz PYDZNBSUNBEOET-KGLIPLIRSA-N 2 0 337.493 1.349 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccns3)C2)CC[N@@H+]1C ZINC000999210630 706663455 /nfs/dbraw/zinc/66/34/55/706663455.db2.gz UEIOXLBZYWHPOT-VNQPRFMTSA-N 2 0 336.505 1.954 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@H]([NH2+]CCC)C(C)(C)C1 ZINC000996089478 702498989 /nfs/dbraw/zinc/49/89/89/702498989.db2.gz IUXPVLRQQUGAPC-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996220176 702631428 /nfs/dbraw/zinc/63/14/28/702631428.db2.gz CWWPVDREXIEWGZ-KRWDZBQOSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996242838 702647193 /nfs/dbraw/zinc/64/71/93/702647193.db2.gz ACPDDGMYWKNWHQ-JKSUJKDBSA-N 2 0 336.480 1.896 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC000995211079 702682641 /nfs/dbraw/zinc/68/26/41/702682641.db2.gz MZNRTOBHKTUUIL-RDJZCZTQSA-N 2 0 346.475 1.561 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCC[NH+](CCOC)CC1 ZINC000948416919 702684948 /nfs/dbraw/zinc/68/49/48/702684948.db2.gz SOUIYEVPJCLFEZ-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3ccnn3C)C(C)(C)C2)C1 ZINC000996299892 702691031 /nfs/dbraw/zinc/69/10/31/702691031.db2.gz GHJSHWMRUZUNEY-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3nccn3C)C(C)(C)C2)C1 ZINC000996301143 702692986 /nfs/dbraw/zinc/69/29/86/702692986.db2.gz QBNFQFWJTCKKJF-LSDHHAIUSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2(C)C)ncn1 ZINC000996302226 702694374 /nfs/dbraw/zinc/69/43/74/702694374.db2.gz WZYIVMXBOIQVCD-YOEHRIQHSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1)[NH+](C)C ZINC000996313860 702702162 /nfs/dbraw/zinc/70/21/62/702702162.db2.gz GFADQNNRMFGCGH-JKSUJKDBSA-N 2 0 348.491 1.052 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996452212 702797337 /nfs/dbraw/zinc/79/73/37/702797337.db2.gz JLPVWSFNLHPSSX-IRXDYDNUSA-N 2 0 337.508 1.581 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479063 702810732 /nfs/dbraw/zinc/81/07/32/702810732.db2.gz VJWXNDHFLMETDX-RDJZCZTQSA-N 2 0 345.491 1.375 20 0 EDADRP C[NH+](C)[C@](C)(C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)c1ccccc1 ZINC000996503656 702825459 /nfs/dbraw/zinc/82/54/59/702825459.db2.gz BABSNVAIVMPTFJ-APWZRJJASA-N 2 0 333.476 1.282 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000996518338 702853960 /nfs/dbraw/zinc/85/39/60/702853960.db2.gz DIXSJVKQPOQHGX-MRXNPFEDSA-N 2 0 346.450 1.643 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)n1 ZINC000996610619 702915822 /nfs/dbraw/zinc/91/58/22/702915822.db2.gz JJIZHFIQEKPMBX-INIZCTEOSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996614136 702919375 /nfs/dbraw/zinc/91/93/75/702919375.db2.gz YXRJZMVDWYATTC-QGZVFWFLSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)CC2)[nH]1 ZINC000996657748 702954273 /nfs/dbraw/zinc/95/42/73/702954273.db2.gz HQJURXAQGPQUNS-HNNXBMFYSA-N 2 0 348.495 1.172 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)n(C)n2)CC1 ZINC000996662145 702959865 /nfs/dbraw/zinc/95/98/65/702959865.db2.gz PINMGCMARQHOCF-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000996666525 702963619 /nfs/dbraw/zinc/96/36/19/702963619.db2.gz SVRQVBIKTHTMHV-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1 ZINC000996664278 702966353 /nfs/dbraw/zinc/96/63/53/702966353.db2.gz UKTSOKWMSNDAJB-GDBMZVCRSA-N 2 0 348.495 1.331 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)o1 ZINC000996664692 702966770 /nfs/dbraw/zinc/96/67/70/702966770.db2.gz HJZLDDCNHGVXED-UHFFFAOYSA-N 2 0 334.464 1.856 20 0 EDADRP C[C@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC1(C)C ZINC000996674787 702969993 /nfs/dbraw/zinc/96/99/93/702969993.db2.gz WXGABGGFMMUIEL-WMLDXEAASA-N 2 0 333.476 1.569 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)[NH+](C)C ZINC000996689462 702987138 /nfs/dbraw/zinc/98/71/38/702987138.db2.gz DYRBLHSXRTYMQU-IBGZPJMESA-N 2 0 347.503 1.846 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)co1 ZINC000996691994 702989121 /nfs/dbraw/zinc/98/91/21/702989121.db2.gz UVLDAPIPZPYNTB-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)o1 ZINC000996726047 703020707 /nfs/dbraw/zinc/02/07/07/703020707.db2.gz VQHUNYGABZVWEU-HIFRSBDPSA-N 2 0 349.479 1.758 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000996726091 703021327 /nfs/dbraw/zinc/02/13/27/703021327.db2.gz WIIZDZQBJJWQEZ-GOSISDBHSA-N 2 0 347.507 1.510 20 0 EDADRP Cc1c(C(=O)N2CCC([NH2+]Cc3cnon3)CC2)ccc2c[nH+]cn21 ZINC000996748923 703035416 /nfs/dbraw/zinc/03/54/16/703035416.db2.gz WPDBWCYVKIYIDV-UHFFFAOYSA-N 2 0 340.387 1.420 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)s1 ZINC000996767768 703059108 /nfs/dbraw/zinc/05/91/08/703059108.db2.gz SCVJFQGDXBTAEM-UHFFFAOYSA-N 2 0 349.504 1.556 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554960 703068194 /nfs/dbraw/zinc/06/81/94/703068194.db2.gz BMXCEAFALIEWLJ-NVXWUHKLSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nonc1CN1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H](C)C1 ZINC000942556177 703070169 /nfs/dbraw/zinc/07/01/69/703070169.db2.gz WLTMVIWZUBHVRO-UKRRQHHQSA-N 2 0 349.479 1.579 20 0 EDADRP CCc1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CN(C)CCO2)c1 ZINC001032332919 703117959 /nfs/dbraw/zinc/11/79/59/703117959.db2.gz GFBGXWXKLMFMCI-GBESFXJTSA-N 2 0 343.471 1.365 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1)c1nncn1C ZINC000996868690 703141061 /nfs/dbraw/zinc/14/10/61/703141061.db2.gz XJFLVLDYDDWMKP-AWEZNQCLSA-N 2 0 348.495 1.331 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nnc(C)[nH]3)CC2)C1 ZINC000996904161 703178421 /nfs/dbraw/zinc/17/84/21/703178421.db2.gz NFFCDYRBRKVNDF-OAHLLOKOSA-N 2 0 348.495 1.316 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3nonc3C)CC2)C1 ZINC000996906072 703185234 /nfs/dbraw/zinc/18/52/34/703185234.db2.gz XDAGGWSIHXIBHO-OAHLLOKOSA-N 2 0 349.479 1.581 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996923295 703194404 /nfs/dbraw/zinc/19/44/04/703194404.db2.gz RZJIVUHGARWVRH-GUTXKFCHSA-N 2 0 349.479 1.750 20 0 EDADRP Cc1csc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)n1 ZINC000996947784 703217411 /nfs/dbraw/zinc/21/74/11/703217411.db2.gz WXEZPXSNSNZCHY-UHFFFAOYSA-N 2 0 336.505 1.874 20 0 EDADRP CCC(CC)C[NH+]1CC(CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032044476 703241829 /nfs/dbraw/zinc/24/18/29/703241829.db2.gz RYMBZVLTEFRZRD-UHFFFAOYSA-N 2 0 335.496 1.543 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000996996982 703260653 /nfs/dbraw/zinc/26/06/53/703260653.db2.gz CXBHFLKNRDSYSN-HNNXBMFYSA-N 2 0 345.491 1.394 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CCn3cccn3)CC2)CC1 ZINC000997059175 703304519 /nfs/dbraw/zinc/30/45/19/703304519.db2.gz WIRLFOSMMKHGBT-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nncn2C)CC1 ZINC000997065050 703309698 /nfs/dbraw/zinc/30/96/98/703309698.db2.gz YHTIAKPIGGNSKJ-INIZCTEOSA-N 2 0 348.495 1.159 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821687 703330057 /nfs/dbraw/zinc/33/00/57/703330057.db2.gz GDCCWVBOVYDCSF-WBVHZDCISA-N 2 0 347.507 1.479 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC000997093468 703340720 /nfs/dbraw/zinc/34/07/20/703340720.db2.gz OCRIPXDFGGMERE-SJORKVTESA-N 2 0 345.491 1.518 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]CCc3cnn(C)c3)CC2)CC1 ZINC000997114813 703367687 /nfs/dbraw/zinc/36/76/87/703367687.db2.gz HNCIUQILUIHFPO-UHFFFAOYSA-N 2 0 347.507 1.275 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053105 703402358 /nfs/dbraw/zinc/40/23/58/703402358.db2.gz ORFUKDBAMIAXIU-BEFAXECRSA-N 2 0 345.487 1.977 20 0 EDADRP O=C([C@H]1CC[NH+](C2CCCCC2)C1)N1C[C@@H]2C[C@H]1C[N@H+]2CCCO ZINC001032406004 703430019 /nfs/dbraw/zinc/43/00/19/703430019.db2.gz UDQOXXVEJQHPFF-SZMVWBNQSA-N 2 0 335.492 1.309 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)O1 ZINC000997186472 703475663 /nfs/dbraw/zinc/47/56/63/703475663.db2.gz NMZOWROLPVPTHC-ZBFHGGJFSA-N 2 0 346.475 1.909 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cncc(F)c2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000997218605 703496523 /nfs/dbraw/zinc/49/65/23/703496523.db2.gz AKMGADKCODIMSP-IBGZPJMESA-N 2 0 346.450 1.787 20 0 EDADRP Cc1oncc1C[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997389762 703657691 /nfs/dbraw/zinc/65/76/91/703657691.db2.gz IWESJIBENOEFOI-CQSZACIVSA-N 2 0 346.475 1.796 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC000997512337 703760322 /nfs/dbraw/zinc/76/03/22/703760322.db2.gz YKGGCEQYPHPDER-WMLDXEAASA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nocc1CN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001033070175 704099808 /nfs/dbraw/zinc/09/98/08/704099808.db2.gz ORMDOPXFXRWCSL-IAGOWNOFSA-N 2 0 334.464 1.889 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081030 704135734 /nfs/dbraw/zinc/13/57/34/704135734.db2.gz KZLHRUNAWDTVEL-AEFFLSMTSA-N 2 0 346.475 1.666 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncs3)C2)CC[N@@H+]1C ZINC000999303317 706796488 /nfs/dbraw/zinc/79/64/88/706796488.db2.gz LBFCCCOPMXKTJA-HESLUPGFSA-N 2 0 336.505 1.952 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3ccc(F)cn3)C2)CC[N@@H+]1C ZINC001033096959 704186217 /nfs/dbraw/zinc/18/62/17/704186217.db2.gz RQGSUQNHPSQTGO-OKZBNKHCSA-N 2 0 348.466 1.984 20 0 EDADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598067 704309223 /nfs/dbraw/zinc/30/92/23/704309223.db2.gz WQEWUNFTJSFESG-MHORFTMASA-N 2 0 335.492 1.428 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2)[C@H]1C(C)C ZINC000922743375 704309983 /nfs/dbraw/zinc/30/99/83/704309983.db2.gz PNRVIOOMWGXOSJ-CWIFOLKKSA-N 2 0 340.512 1.106 20 0 EDADRP CCO[C@@H](CNCc1ccc(C(=O)N2CCCC2)cc1)C[NH+](C)C ZINC000922756659 704316531 /nfs/dbraw/zinc/31/65/31/704316531.db2.gz RLQYQVOOMFFOCK-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP C[N@H+](CCCCNC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)C1CC1 ZINC000922808570 704384757 /nfs/dbraw/zinc/38/47/57/704384757.db2.gz CAMJMBJJWOCSCA-JKSUJKDBSA-N 2 0 340.537 1.740 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001004435312 704409796 /nfs/dbraw/zinc/40/97/96/704409796.db2.gz AFCPPMRTESPNOS-MOPGFXCFSA-N 2 0 349.519 1.678 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997830381 704749133 /nfs/dbraw/zinc/74/91/33/704749133.db2.gz JEUJGUKEWYKGCA-QGZVFWFLSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)C1CC1 ZINC000997832044 704750376 /nfs/dbraw/zinc/75/03/76/704750376.db2.gz XUBRADQEIBJLBJ-SFHVURJKSA-N 2 0 330.476 1.750 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997863711 704770744 /nfs/dbraw/zinc/77/07/44/704770744.db2.gz FGMUQHGNXOISLN-MRXNPFEDSA-N 2 0 331.464 1.289 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997865208 704772533 /nfs/dbraw/zinc/77/25/33/704772533.db2.gz MHTVUDGOILCUQG-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)on1 ZINC000997865151 704772618 /nfs/dbraw/zinc/77/26/18/704772618.db2.gz LSMMMVDEIDNEMX-QGZVFWFLSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1)[NH+](C)C ZINC000998039622 705234224 /nfs/dbraw/zinc/23/42/24/705234224.db2.gz DKWFNHRHAVPOIM-QGZVFWFLSA-N 2 0 335.496 1.335 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CCC[N@H+](CC)CC1 ZINC000998067452 705280041 /nfs/dbraw/zinc/28/00/41/705280041.db2.gz USFRAZVFILKJHB-DHADLLTHSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)C1 ZINC000998081322 705302166 /nfs/dbraw/zinc/30/21/66/705302166.db2.gz JCJMIDGHQFXFDW-ZDUSSCGKSA-N 2 0 337.493 1.208 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)o1 ZINC000998079529 705304104 /nfs/dbraw/zinc/30/41/04/705304104.db2.gz QRXYSMVFIQCWRL-CXAGYDPISA-N 2 0 348.491 1.817 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)nn1C ZINC000998079981 705304414 /nfs/dbraw/zinc/30/44/14/705304414.db2.gz XFAVWPGLGXWAJP-KSSFIOAISA-N 2 0 347.507 1.254 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC2CCOCC2)CC1 ZINC001032602940 705418956 /nfs/dbraw/zinc/41/89/56/705418956.db2.gz IOBPASKXSZBFDP-ROUUACIJSA-N 2 0 335.492 1.430 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]CC3CCOCC3)CC2)C1 ZINC000998216760 705538448 /nfs/dbraw/zinc/53/84/48/705538448.db2.gz KMVKKWJEJVOFRQ-GOSISDBHSA-N 2 0 337.508 1.583 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3cccnc3)CC2)C1 ZINC000998217775 705540127 /nfs/dbraw/zinc/54/01/27/705540127.db2.gz STBBIVJLAKEYMU-KRWDZBQOSA-N 2 0 330.476 1.752 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998221853 705547978 /nfs/dbraw/zinc/54/79/78/705547978.db2.gz IPMHWFLVZRSDQD-UHFFFAOYSA-N 2 0 343.431 1.778 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000998266267 705637944 /nfs/dbraw/zinc/63/79/44/705637944.db2.gz PPLZJZAIYVCFCN-INIZCTEOSA-N 2 0 333.480 1.008 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)ncn1 ZINC000998270787 705649634 /nfs/dbraw/zinc/64/96/34/705649634.db2.gz ZRTXCNNLQYYCBD-UHFFFAOYSA-N 2 0 331.464 1.209 20 0 EDADRP CCn1nnc(C)c1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998269297 705651916 /nfs/dbraw/zinc/65/19/16/705651916.db2.gz LZISDKSEJRWPDE-UHFFFAOYSA-N 2 0 348.495 1.030 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)o1 ZINC000998286888 705676731 /nfs/dbraw/zinc/67/67/31/705676731.db2.gz MHGJJOYVPLNVQM-KBPBESRZSA-N 2 0 349.479 1.579 20 0 EDADRP CCCc1noc(CNCC2CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000998298445 705701928 /nfs/dbraw/zinc/70/19/28/705701928.db2.gz YJMAXXUIOGWIMF-UHFFFAOYSA-N 2 0 346.435 1.247 20 0 EDADRP C[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001032629578 705752525 /nfs/dbraw/zinc/75/25/25/705752525.db2.gz DMZWQQIZMMESLM-JLSDUUJJSA-N 2 0 331.460 1.070 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000998548956 705984965 /nfs/dbraw/zinc/98/49/65/705984965.db2.gz JKWDZAVTXMWUGX-MQBCKMQZSA-N 2 0 332.448 1.725 20 0 EDADRP CN(C)c1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)ccn1 ZINC000998721489 706157328 /nfs/dbraw/zinc/15/73/28/706157328.db2.gz MKSOMYLXGXICIE-SJORKVTESA-N 2 0 345.491 1.322 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC000998762739 706201196 /nfs/dbraw/zinc/20/11/96/706201196.db2.gz GPVDNELTRNUSLJ-GPANFISMSA-N 2 0 334.464 1.935 20 0 EDADRP Cc1conc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780579 706221592 /nfs/dbraw/zinc/22/15/92/706221592.db2.gz QKNDYUFJZCRRGQ-GPANFISMSA-N 2 0 332.448 1.404 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998791567 706238549 /nfs/dbraw/zinc/23/85/49/706238549.db2.gz OVIUVXWENORACK-PRLABOORSA-N 2 0 348.495 1.026 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998798134 706245265 /nfs/dbraw/zinc/24/52/65/706245265.db2.gz YTKBWWWNGPRCNC-AGERRDQYSA-N 2 0 330.476 1.809 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000998868870 706292606 /nfs/dbraw/zinc/29/26/06/706292606.db2.gz ZMZNUNIQCAAXBX-OFLPRAFFSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cnn(C)c3)C2)C1 ZINC000998896719 706323990 /nfs/dbraw/zinc/32/39/90/706323990.db2.gz AEXXIJXIROODCQ-AOCRQIFASA-N 2 0 347.507 1.477 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C1CC([NH2+]CC2CC2)C1 ZINC000998898475 706326025 /nfs/dbraw/zinc/32/60/25/706326025.db2.gz LLHAOSDNEYWMCN-VMWRSERWSA-N 2 0 335.492 1.619 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CCc3ncc[nH]3)C2)nn1C ZINC000999038069 706453657 /nfs/dbraw/zinc/45/36/57/706453657.db2.gz DBWNVRLMNDMVCA-AWEZNQCLSA-N 2 0 330.436 1.165 20 0 EDADRP Cc1c(C(=O)N(C)C2CC([NH2+]C[C@@H]3CCOC3)C2)ccc2c[nH+]cn21 ZINC000999024970 706462159 /nfs/dbraw/zinc/46/21/59/706462159.db2.gz RRKXXIVZZVZPJC-UQPPLGOBSA-N 2 0 342.443 1.872 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000999062058 706523719 /nfs/dbraw/zinc/52/37/19/706523719.db2.gz VONVGLAIPDMPIP-ODIFPOPNSA-N 2 0 342.443 1.954 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H]([NH2+]CC2CC2)C1 ZINC000999352536 706865406 /nfs/dbraw/zinc/86/54/06/706865406.db2.gz JNJVPQRAQGKUIT-FUHWJXTLSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999353203 706866114 /nfs/dbraw/zinc/86/61/14/706866114.db2.gz LNQASMXXVXXXED-SJORKVTESA-N 2 0 347.507 1.764 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999366329 706879831 /nfs/dbraw/zinc/87/98/31/706879831.db2.gz XAAXREADHLHURD-HNNXBMFYSA-N 2 0 334.464 1.802 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999367147 706880961 /nfs/dbraw/zinc/88/09/61/706880961.db2.gz DSDXHRWZSBMFOC-SJLPKXTDSA-N 2 0 330.476 1.811 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999371010 706885168 /nfs/dbraw/zinc/88/51/68/706885168.db2.gz MOJHKWHCFAPRKU-MAUKXSAKSA-N 2 0 348.491 1.966 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2scnc2C)C1)[NH+](C)C ZINC000999488610 707024527 /nfs/dbraw/zinc/02/45/27/707024527.db2.gz GQVJTGUGFDCWMN-LSDHHAIUSA-N 2 0 338.521 1.915 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999490129 707026328 /nfs/dbraw/zinc/02/63/28/707026328.db2.gz PAGWXIFMCOWSAD-MRXNPFEDSA-N 2 0 345.491 1.377 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]Cc2ccn(C)n2)C1 ZINC000999698425 707225102 /nfs/dbraw/zinc/22/51/02/707225102.db2.gz GIDRPHXVNKMMAT-UHFFFAOYSA-N 2 0 342.447 1.274 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)s1 ZINC000999689262 707244613 /nfs/dbraw/zinc/24/46/13/707244613.db2.gz QPNLQIBHYYJBOL-WLYUNCDWSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@H]1CC[N@H+](CCc2csc(C)n2)C1 ZINC001033264855 707286660 /nfs/dbraw/zinc/28/66/60/707286660.db2.gz DSFXHFOUDIZSNS-INIZCTEOSA-N 2 0 347.488 1.732 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cccc(C(=O)N(C)C)c2)CC1 ZINC000921686776 707311404 /nfs/dbraw/zinc/31/14/04/707311404.db2.gz XWLJCULMXWJNHU-KRWDZBQOSA-N 2 0 346.519 1.752 20 0 EDADRP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001033279591 707346916 /nfs/dbraw/zinc/34/69/16/707346916.db2.gz VQHJGHAGZVPALW-AGYKMIKPSA-N 2 0 349.519 1.819 20 0 EDADRP O=C(Cc1cnc[nH]1)N1CC[C@H]2C[N@@H+](CCOC3CCC3)C[C@H]2CC1 ZINC000946800752 707452579 /nfs/dbraw/zinc/45/25/79/707452579.db2.gz JUMOJHKIZBLMQB-IYBDPMFKSA-N 2 0 346.475 1.692 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2cccc(Cl)n2)C1 ZINC000999834658 707467039 /nfs/dbraw/zinc/46/70/39/707467039.db2.gz ULXSKPAPPCHOAO-UHFFFAOYSA-N 2 0 336.867 1.910 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H](O)C1CCCCC1)C12CC[NH+](CC1)C2 ZINC001032734090 707743490 /nfs/dbraw/zinc/74/34/90/707743490.db2.gz WOQINHOJXPULNX-OKZBNKHCSA-N 2 0 347.503 1.309 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC001033427096 707850407 /nfs/dbraw/zinc/85/04/07/707850407.db2.gz XRHYAHXHOOVMSQ-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1ncoc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982030 707860334 /nfs/dbraw/zinc/86/03/34/707860334.db2.gz OGPUPXZNXQIKEV-ZBFHGGJFSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)Cn1ccnc1 ZINC001005009462 707925948 /nfs/dbraw/zinc/92/59/48/707925948.db2.gz NHCZFRHRTPGMMI-DZGCQCFKSA-N 2 0 331.420 1.739 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccccc2)C1 ZINC001032781267 707967020 /nfs/dbraw/zinc/96/70/20/707967020.db2.gz PGIXJPOAOCOBQS-QYZOEREBSA-N 2 0 327.472 1.856 20 0 EDADRP Cc1ccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC001032781509 707968922 /nfs/dbraw/zinc/96/89/22/707968922.db2.gz YABVZSUWWMTZDH-SQNIBIBYSA-N 2 0 343.471 1.611 20 0 EDADRP Cc1nc(CN2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)c(C)o1 ZINC001005182104 708128050 /nfs/dbraw/zinc/12/80/50/708128050.db2.gz CNZVVKXCQRUQAW-QGZVFWFLSA-N 2 0 334.464 1.808 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)CC2)C1)OC ZINC001033530508 708150851 /nfs/dbraw/zinc/15/08/51/708150851.db2.gz CNYPFEPBRLRZCN-IRXDYDNUSA-N 2 0 325.497 1.676 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001033592374 708290586 /nfs/dbraw/zinc/29/05/86/708290586.db2.gz GCLJNZSCTWXXFI-QGZVFWFLSA-N 2 0 328.460 1.519 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(CNC(=O)c2occc2C[NH+](C)C)CC1 ZINC001001771804 708294734 /nfs/dbraw/zinc/29/47/34/708294734.db2.gz FJPBTSJAZBZXIU-CQSZACIVSA-N 2 0 337.464 1.818 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](O)Cc2ccccc2)C1 ZINC001033659146 708470266 /nfs/dbraw/zinc/47/02/66/708470266.db2.gz VMHQZNBGKPYSON-OALUTQOASA-N 2 0 345.487 1.219 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385138 708825916 /nfs/dbraw/zinc/82/59/16/708825916.db2.gz POHCGDMCZJVHKN-JKSUJKDBSA-N 2 0 338.496 1.046 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001002473342 709007416 /nfs/dbraw/zinc/00/74/16/709007416.db2.gz DQHKHXLKIRZMJK-KRWDZBQOSA-N 2 0 333.480 1.175 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033983455 709192694 /nfs/dbraw/zinc/19/26/94/709192694.db2.gz RDSMNSGUWPCOAM-GOSISDBHSA-N 2 0 347.507 1.781 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001034046155 709298708 /nfs/dbraw/zinc/29/87/08/709298708.db2.gz UYQTXNAEEKVMMP-MSOLQXFVSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@@]12CN(C(=O)C[C@H]3COCC[NH2+]3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702070342 709311731 /nfs/dbraw/zinc/31/17/31/709311731.db2.gz AUPVQLUIKSEURE-CMKODMSKSA-N 2 0 343.471 1.345 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032827512 709347012 /nfs/dbraw/zinc/34/70/12/709347012.db2.gz WXORIESMBDVZGT-RCCFBDPRSA-N 2 0 331.460 1.395 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)c1 ZINC000922012150 709424977 /nfs/dbraw/zinc/42/49/77/709424977.db2.gz OUUWDYQUAKPZLF-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP O=C(NC1CC[NH+](CCC2CCOCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002832955 709443751 /nfs/dbraw/zinc/44/37/51/709443751.db2.gz NMMBBAQAAVHTGO-IBGZPJMESA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)CC[N@@H+]1C ZINC001002851267 709461754 /nfs/dbraw/zinc/46/17/54/709461754.db2.gz FXVOQSSEQAUXTL-IUODEOHRSA-N 2 0 329.435 1.953 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001002851465 709461951 /nfs/dbraw/zinc/46/19/51/709461951.db2.gz IESSIFJFFIQXNC-RHSMWYFYSA-N 2 0 333.480 1.149 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290432 709715323 /nfs/dbraw/zinc/71/53/23/709715323.db2.gz GIJDQLNCSHLOTI-HOCLYGCPSA-N 2 0 330.432 1.954 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001002996050 709744508 /nfs/dbraw/zinc/74/45/08/709744508.db2.gz VEHMYNKNOLRKEW-CVEARBPZSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)=CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034321996 709773218 /nfs/dbraw/zinc/77/32/18/709773218.db2.gz YEZDNRDKJLBAOK-SFANZJOMSA-N 2 0 347.503 1.787 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)CC[N@@H+]1C ZINC000702764977 709843556 /nfs/dbraw/zinc/84/35/56/709843556.db2.gz CBDQDPLQVJVXBN-KBUPBQIOSA-N 2 0 327.469 1.287 20 0 EDADRP Cc1ncc(CN2CCCC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC001034375321 709868894 /nfs/dbraw/zinc/86/88/94/709868894.db2.gz AKOKKAPGFGDLKK-INIZCTEOSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445178 709989703 /nfs/dbraw/zinc/98/97/03/709989703.db2.gz QLDZJADUWQEPQQ-CRAIPNDOSA-N 2 0 333.476 1.713 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001034431926 709999742 /nfs/dbraw/zinc/99/97/42/709999742.db2.gz QKYLENVJXPHPEY-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001003134113 710018871 /nfs/dbraw/zinc/01/88/71/710018871.db2.gz PFGFSEMWSGYUEV-QGZVFWFLSA-N 2 0 349.519 1.870 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)ccn1 ZINC001003166795 710078505 /nfs/dbraw/zinc/07/85/05/710078505.db2.gz LOTUACZGDCWSMQ-KRWDZBQOSA-N 2 0 346.475 1.655 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001034489754 710107783 /nfs/dbraw/zinc/10/77/83/710107783.db2.gz CYRWHVVKXSRFGV-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001034490078 710108287 /nfs/dbraw/zinc/10/82/87/710108287.db2.gz FZSAJSAHNBLEKN-INIZCTEOSA-N 2 0 345.491 1.029 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001003221946 710141259 /nfs/dbraw/zinc/14/12/59/710141259.db2.gz MCJHISNQRFOCBA-CYBMUJFWSA-N 2 0 330.432 1.872 20 0 EDADRP COc1cc(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)ccn1 ZINC001034525395 710175140 /nfs/dbraw/zinc/17/51/40/710175140.db2.gz LXRUSGLVFCVHRP-SJORKVTESA-N 2 0 346.475 1.513 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)no1 ZINC001034649181 710325573 /nfs/dbraw/zinc/32/55/73/710325573.db2.gz RZRRAJIXKIGBFU-JFIYKMOQSA-N 2 0 346.475 1.842 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+]([C@@H](C)COC)CC2)C1 ZINC001003481957 710368369 /nfs/dbraw/zinc/36/83/69/710368369.db2.gz NUDWQICIPFXGQM-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NC1CC[NH+](CCCF)CC1)[C@H]1COCCN1C1CCCC1 ZINC001003493023 710375560 /nfs/dbraw/zinc/37/55/60/710375560.db2.gz KANGFJRSRJIOLK-QGZVFWFLSA-N 2 0 341.471 1.570 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001003636940 710466894 /nfs/dbraw/zinc/46/68/94/710466894.db2.gz YTAOSWOUFSZWFH-CZUORRHYSA-N 2 0 334.464 1.515 20 0 EDADRP CCO[C@H](CNC(=O)NCC1CC[NH+](C2CC2)CC1)C[NH+](C)C ZINC000922219671 710467650 /nfs/dbraw/zinc/46/76/50/710467650.db2.gz JWGQWYUUUKZPOM-MRXNPFEDSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000922264512 710549712 /nfs/dbraw/zinc/54/97/12/710549712.db2.gz UHCOMNAMELFFPF-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034711525 710867810 /nfs/dbraw/zinc/86/78/10/710867810.db2.gz CPEUHGBEAQORDY-BZUAXINKSA-N 2 0 349.479 1.709 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001005659674 710884443 /nfs/dbraw/zinc/88/44/43/710884443.db2.gz DEZUNNCIFTVNNS-INIZCTEOSA-N 2 0 335.492 1.574 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)n1 ZINC001034735627 710920851 /nfs/dbraw/zinc/92/08/51/710920851.db2.gz JTOFHBJTIKQCER-WKILWMFISA-N 2 0 347.507 1.669 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC001034739193 710933468 /nfs/dbraw/zinc/93/34/68/710933468.db2.gz YVYPXEZKDRQKMC-MMTVNHQJSA-N 2 0 334.464 1.698 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034739249 710933498 /nfs/dbraw/zinc/93/34/98/710933498.db2.gz ZQWBTABEZWRJIW-KONPQCLYSA-N 2 0 347.507 1.177 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034750029 710957836 /nfs/dbraw/zinc/95/78/36/710957836.db2.gz RSUKBGWVNCAFSK-BFYDXBDKSA-N 2 0 349.479 1.850 20 0 EDADRP Cc1nc[nH]c1CC(=O)N[C@@H]1CC[C@@H]([NH2+]Cc2nonc2C)CC1 ZINC001034787184 711093384 /nfs/dbraw/zinc/09/33/84/711093384.db2.gz YUHMWCBINGDDMX-JOCQHMNTSA-N 2 0 332.408 1.169 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792979 711121119 /nfs/dbraw/zinc/12/11/19/711121119.db2.gz PVFUGQJEUORMKU-JYJNAYRXSA-N 2 0 333.480 1.372 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034793346 711123169 /nfs/dbraw/zinc/12/31/69/711123169.db2.gz XPLYWDKTCBOZNN-JYJNAYRXSA-N 2 0 348.495 1.075 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C[C@@H]2C[C@]23CCOC3)CC1 ZINC001034793451 711123644 /nfs/dbraw/zinc/12/36/44/711123644.db2.gz DZFNJQBLCMGVSG-DWRORGKVSA-N 2 0 335.492 1.526 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034793508 711123795 /nfs/dbraw/zinc/12/37/95/711123795.db2.gz FZHDYPXKSUNAMP-WKILWMFISA-N 2 0 331.464 1.398 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC001034793658 711124383 /nfs/dbraw/zinc/12/43/83/711124383.db2.gz NAMCBCWSNIPNAM-GUDVDZBRSA-N 2 0 345.487 1.833 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001003975593 711173343 /nfs/dbraw/zinc/17/33/43/711173343.db2.gz VKKFRPXMIFOEBQ-UHFFFAOYSA-N 2 0 332.448 1.413 20 0 EDADRP O=C(NC1CC[NH+](CCc2cccs2)CC1)C12CC[NH+](CC1)C2 ZINC001003986789 711194322 /nfs/dbraw/zinc/19/43/22/711194322.db2.gz YTHPJSAAFBFNAN-UHFFFAOYSA-N 2 0 333.501 1.967 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CCC[N@H+]2C)s1 ZINC001034882058 711282461 /nfs/dbraw/zinc/28/24/61/711282461.db2.gz QYYYPMISKPXVGM-CABCVRRESA-N 2 0 336.505 1.935 20 0 EDADRP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001034885225 711289816 /nfs/dbraw/zinc/28/98/16/711289816.db2.gz RAUBOKWOZAZBEE-OLZOCXBDSA-N 2 0 339.871 1.248 20 0 EDADRP CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034959522 711432428 /nfs/dbraw/zinc/43/24/28/711432428.db2.gz ABBZBPZKMNHSTP-MSOLQXFVSA-N 2 0 347.507 1.885 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001034940078 711443511 /nfs/dbraw/zinc/44/35/11/711443511.db2.gz WJQUIILWUSVVTF-KBAYOESNSA-N 2 0 330.476 1.811 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)ccn1 ZINC001034940054 711443551 /nfs/dbraw/zinc/44/35/51/711443551.db2.gz VAHNCKPEACSJHW-DJIMGWMZSA-N 2 0 346.475 1.511 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2conc2C)CC[N@@H+]1C ZINC001034940659 711444571 /nfs/dbraw/zinc/44/45/71/711444571.db2.gz AXHPIPZXZGODGB-IXDOHACOSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001034940776 711444591 /nfs/dbraw/zinc/44/45/91/711444591.db2.gz IDLBLRIDHWHDRS-IAGOWNOFSA-N 2 0 343.475 1.207 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnn(C)c1Cl)C2 ZINC000922391086 711455573 /nfs/dbraw/zinc/45/55/73/711455573.db2.gz RVFTYWZQAAYLSU-KQTLUZQSSA-N 2 0 326.872 1.643 20 0 EDADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004146792 711557403 /nfs/dbraw/zinc/55/74/03/711557403.db2.gz AQQSHJZIZOJTAV-KRWDZBQOSA-N 2 0 345.487 1.770 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](Cc2ccc3c(c2)COC3)CC1 ZINC001004147073 711558409 /nfs/dbraw/zinc/55/84/09/711558409.db2.gz CMEIGVGLPMYZRO-UHFFFAOYSA-N 2 0 343.471 1.893 20 0 EDADRP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2Cc2cnon2)CC1)[NH+](C)C ZINC001004548150 711958692 /nfs/dbraw/zinc/95/86/92/711958692.db2.gz QGBPNXDYKRZBBO-IRXDYDNUSA-N 2 0 349.479 1.613 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000173946335 231077434 /nfs/dbraw/zinc/07/74/34/231077434.db2.gz CTQOMGXTBPBARV-UHFFFAOYSA-N 2 0 336.484 1.875 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccc(OCC[NH+](C)C)c(OC)c2)CCC[NH2+]1 ZINC000134575965 529519323 /nfs/dbraw/zinc/51/93/23/529519323.db2.gz PFCBJTZZDRWQBY-IBGZPJMESA-N 2 0 349.475 1.784 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000433124569 305101153 /nfs/dbraw/zinc/10/11/53/305101153.db2.gz DJKKOWNKHUBFIL-INIZCTEOSA-N 2 0 325.497 1.616 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)c1 ZINC000272588775 290795009 /nfs/dbraw/zinc/79/50/09/290795009.db2.gz RPXFHCHXTCPOEO-CQSZACIVSA-N 2 0 339.505 1.977 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000333893778 539658984 /nfs/dbraw/zinc/65/89/84/539658984.db2.gz XTASRXURPWYHAO-UBDQQSCGSA-N 2 0 337.508 1.900 20 0 EDADRP OCC[C@@H]1CCCCC[NH+]1CC(O)C[N@H+]1CCCCC[C@H]1CCO ZINC000342041277 539756042 /nfs/dbraw/zinc/75/60/42/539756042.db2.gz BSSPVUHSOHGMDX-ROUUACIJSA-N 2 0 342.524 1.601 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)C2)C1 ZINC000561773980 306290989 /nfs/dbraw/zinc/29/09/89/306290989.db2.gz RPNUUWCZVNMSBH-ICSRJNTNSA-N 2 0 342.487 1.848 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000345343889 539829131 /nfs/dbraw/zinc/82/91/31/539829131.db2.gz NCKNDZAZCXKVHE-HRCADAONSA-N 2 0 328.501 1.203 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCCO1 ZINC000562808629 306309905 /nfs/dbraw/zinc/30/99/05/306309905.db2.gz HAECUKYJGBNDIH-QGZVFWFLSA-N 2 0 331.460 1.419 20 0 EDADRP C[N@H+](C[C@H](O)CNC[C@H]1CC[NH+](CCc2ccccc2)C1)C1CC1 ZINC000562984356 306314770 /nfs/dbraw/zinc/31/47/70/306314770.db2.gz JNTSHGCGAHURRO-UYAOXDASSA-N 2 0 331.504 1.596 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000563210588 306323750 /nfs/dbraw/zinc/32/37/50/306323750.db2.gz BOIBHUJCBHGSJI-QAPCUYQASA-N 2 0 330.476 1.016 20 0 EDADRP COCC[NH2+]C1CCN(CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000563268955 306325576 /nfs/dbraw/zinc/32/55/76/306325576.db2.gz PPDRVXKRCNTGTJ-UHFFFAOYSA-N 2 0 326.529 1.103 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[C@H]1c1ccccc1 ZINC000417942506 283124558 /nfs/dbraw/zinc/12/45/58/283124558.db2.gz OBUYEHAVOMVPMC-XWTMOSNGSA-N 2 0 328.460 1.683 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC2CC[NH+](C)CC2)CCOCC1 ZINC000073214540 138215826 /nfs/dbraw/zinc/21/58/26/138215826.db2.gz CSTMVGSWJAJSTF-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[NH+]1CCC(O)CC1 ZINC000073619233 138219960 /nfs/dbraw/zinc/21/99/60/138219960.db2.gz HHPITXBUIVGYCW-MRXNPFEDSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000563580475 306339640 /nfs/dbraw/zinc/33/96/40/306339640.db2.gz IXNNISIBRMANSK-OIISXLGYSA-N 2 0 332.448 1.191 20 0 EDADRP Cn1cccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092427147 138288828 /nfs/dbraw/zinc/28/88/28/138288828.db2.gz NPUWOZKIDKGSMG-UHFFFAOYSA-N 2 0 334.508 1.941 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC1Cc2ccccc2C1 ZINC000563753654 306346571 /nfs/dbraw/zinc/34/65/71/306346571.db2.gz IANQSMPRJYQUIJ-UHFFFAOYSA-N 2 0 332.492 1.536 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCCCCO1 ZINC000565061708 306373981 /nfs/dbraw/zinc/37/39/81/306373981.db2.gz LMRDPZVGOPDTTG-UHFFFAOYSA-N 2 0 347.463 1.721 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CC(F)(F)CN)ccc2oc1=O ZINC000565151169 306376057 /nfs/dbraw/zinc/37/60/57/306376057.db2.gz JOKWATKQHNHDRI-UHFFFAOYSA-N 2 0 342.346 1.079 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163201 306376954 /nfs/dbraw/zinc/37/69/54/306376954.db2.gz JQWCKBJBIZCOGF-RTBURBONSA-N 2 0 341.540 1.369 20 0 EDADRP O=C(CC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000188989601 138857377 /nfs/dbraw/zinc/85/73/77/138857377.db2.gz IPSOBRGALKAEDY-WMLDXEAASA-N 2 0 337.414 1.916 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)N(C)C)C2)CC1 ZINC000414493501 304120146 /nfs/dbraw/zinc/12/01/46/304120146.db2.gz BYPSORCBNUPHCV-GOSISDBHSA-N 2 0 344.503 1.739 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000189528032 138876439 /nfs/dbraw/zinc/87/64/39/138876439.db2.gz UZURHDSVBQHOAV-UHFFFAOYSA-N 2 0 345.491 1.390 20 0 EDADRP CCC1(CC)[C@H](OC)C[C@H]1[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414707638 304130709 /nfs/dbraw/zinc/13/07/09/304130709.db2.gz MXPDSPOOILNFMW-ARFHVFGLSA-N 2 0 325.497 1.709 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCCC3)CC2)cc1 ZINC000414721873 304133111 /nfs/dbraw/zinc/13/31/11/304133111.db2.gz JLKNIPTXRWDDPA-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000414728678 304133884 /nfs/dbraw/zinc/13/38/84/304133884.db2.gz CORDHBNQGUGJJZ-AWEZNQCLSA-N 2 0 332.448 1.193 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414738990 304135377 /nfs/dbraw/zinc/13/53/77/304135377.db2.gz IODXXPPCEBVVJB-ZIAGYGMSSA-N 2 0 332.448 1.320 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000353052054 296109535 /nfs/dbraw/zinc/10/95/35/296109535.db2.gz ZADYTSMAGXOXSN-ZWKOTPCHSA-N 2 0 335.492 1.620 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000414749797 304137269 /nfs/dbraw/zinc/13/72/69/304137269.db2.gz WPGIGYYZMZLZDL-CABCVRRESA-N 2 0 346.475 1.581 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1)[NH+](C)C ZINC000414758081 304137494 /nfs/dbraw/zinc/13/74/94/304137494.db2.gz BTDUIGSBRUTLDC-SECBINFHSA-N 2 0 346.353 1.169 20 0 EDADRP COC(=O)COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414787217 304140931 /nfs/dbraw/zinc/14/09/31/304140931.db2.gz VLCWYIQNWBWHDP-INIZCTEOSA-N 2 0 348.443 1.426 20 0 EDADRP CCOc1cc(CN[C@@H](C[NH3+])C2CC2)ccc1O[C@@H](C)C(=O)N(C)C ZINC000414802449 304142732 /nfs/dbraw/zinc/14/27/32/304142732.db2.gz MWKYRFNURSMCKF-BBRMVZONSA-N 2 0 349.475 1.768 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414990945 304148822 /nfs/dbraw/zinc/14/88/22/304148822.db2.gz PPMJRQZRDZTVCM-MRXNPFEDSA-N 2 0 346.475 1.568 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000193503415 138971154 /nfs/dbraw/zinc/97/11/54/138971154.db2.gz CBJHUZFMGSSDFD-CRAIPNDOSA-N 2 0 330.476 1.304 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]C[C@@]1(C)CC[NH2+]C1 ZINC000415102118 304160119 /nfs/dbraw/zinc/16/01/19/304160119.db2.gz JJEMALIMLLKBBS-KRWDZBQOSA-N 2 0 339.505 1.604 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H]2c2nc3ccccc3[nH]2)C1 ZINC000415104260 304160385 /nfs/dbraw/zinc/16/03/85/304160385.db2.gz KOJKKMYUGITERM-WMLDXEAASA-N 2 0 341.459 1.897 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)[NH+](C)C ZINC000416005782 319389521 /nfs/dbraw/zinc/38/95/21/319389521.db2.gz KHEFOFOAHPJVQO-NEPJUHHUSA-N 2 0 326.407 1.932 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000195133338 139007547 /nfs/dbraw/zinc/00/75/47/139007547.db2.gz TYEFSUDGTMEILM-WMZOPIPTSA-N 2 0 331.460 1.948 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000415146369 304164975 /nfs/dbraw/zinc/16/49/75/304164975.db2.gz YMCOCGNDVIEUOP-GOEBONIOSA-N 2 0 344.459 1.430 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000236774398 139030957 /nfs/dbraw/zinc/03/09/57/139030957.db2.gz POPQMQWRDVDIRC-GOSISDBHSA-N 2 0 333.476 1.777 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000236839682 139033199 /nfs/dbraw/zinc/03/31/99/139033199.db2.gz JACYXVDCMBCNNU-KRWDZBQOSA-N 2 0 346.475 1.089 20 0 EDADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000237096008 139040619 /nfs/dbraw/zinc/04/06/19/139040619.db2.gz XZAHSAGFPFGZRC-SFHVURJKSA-N 2 0 346.475 1.392 20 0 EDADRP C[C@@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000237345664 139048649 /nfs/dbraw/zinc/04/86/49/139048649.db2.gz ZOMUJWZIMOIAHG-WMZOPIPTSA-N 2 0 337.508 1.583 20 0 EDADRP COc1cccc([C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)[NH+](C)C)c1 ZINC000237326577 139048074 /nfs/dbraw/zinc/04/80/74/139048074.db2.gz ZXMQCURMISGUFQ-SJORKVTESA-N 2 0 335.448 1.183 20 0 EDADRP C[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000237554385 139053899 /nfs/dbraw/zinc/05/38/99/139053899.db2.gz YNFSJXBAABCNCA-LPHOPBHVSA-N 2 0 345.487 1.893 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCCC[C@@H]3C[NH3+])CC2)c1 ZINC000237718258 139058533 /nfs/dbraw/zinc/05/85/33/139058533.db2.gz DBLJYYUXPHIHGL-LJQANCHMSA-N 2 0 344.503 1.847 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415228730 304176848 /nfs/dbraw/zinc/17/68/48/304176848.db2.gz LIRPIYJYSASZLT-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Br)cc1 ZINC000567639498 306457619 /nfs/dbraw/zinc/45/76/19/306457619.db2.gz UUHWQDZENILOQJ-CQSZACIVSA-N 2 0 340.265 1.922 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000415262452 304180676 /nfs/dbraw/zinc/18/06/76/304180676.db2.gz BELAQGQBJDXHKG-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000245877030 139088309 /nfs/dbraw/zinc/08/83/09/139088309.db2.gz MPPXZFOOAAZOER-IRXDYDNUSA-N 2 0 340.512 1.205 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000568212598 306475925 /nfs/dbraw/zinc/47/59/25/306475925.db2.gz DVGWMQHCOBHRSI-UHFFFAOYSA-N 2 0 335.496 1.783 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000415359356 304203434 /nfs/dbraw/zinc/20/34/34/304203434.db2.gz KNPYHJVVWIQUEO-MRXNPFEDSA-N 2 0 332.448 1.206 20 0 EDADRP CC(C)(C[NH3+])NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415384486 304210449 /nfs/dbraw/zinc/21/04/49/304210449.db2.gz UADUXHNZLOSRRR-UHFFFAOYSA-N 2 0 332.448 1.117 20 0 EDADRP CC[C@H](COC)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248156006 139159007 /nfs/dbraw/zinc/15/90/07/139159007.db2.gz RKHVRLSECXAKPF-QZTJIDSGSA-N 2 0 333.476 1.899 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCC[N@@H+]2CCCC[C@H]2CC)C1(C)C ZINC000249060904 139184380 /nfs/dbraw/zinc/18/43/80/139184380.db2.gz GRAKBOJCDHXIBK-RKVPGOIHSA-N 2 0 325.497 1.900 20 0 EDADRP CSC[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000249437891 139193424 /nfs/dbraw/zinc/19/34/24/139193424.db2.gz JAUGLHNOGFUVSE-BFYDXBDKSA-N 2 0 330.538 1.922 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417011328 284761421 /nfs/dbraw/zinc/76/14/21/284761421.db2.gz RNTXAMXOPPDOCK-LSDHHAIUSA-N 2 0 326.485 1.114 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415415639 304218072 /nfs/dbraw/zinc/21/80/72/304218072.db2.gz MCUCKIHKNDHZQS-CQSZACIVSA-N 2 0 346.475 1.234 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000261634264 139213017 /nfs/dbraw/zinc/21/30/17/139213017.db2.gz DJAGGUQNKRJCDC-DLBZAZTESA-N 2 0 337.489 1.925 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000261647294 139214211 /nfs/dbraw/zinc/21/42/11/139214211.db2.gz CSJQKBGWFLXMPI-OAHLLOKOSA-N 2 0 327.432 1.130 20 0 EDADRP CN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261660556 139215182 /nfs/dbraw/zinc/21/51/82/139215182.db2.gz FPYSUTUBELLKSJ-MSOLQXFVSA-N 2 0 331.460 1.616 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccccc1 ZINC000261669347 139215937 /nfs/dbraw/zinc/21/59/37/139215937.db2.gz GEUOXKQABWKQNX-MSOLQXFVSA-N 2 0 333.476 1.940 20 0 EDADRP Cc1ccc(O)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000261674545 139216341 /nfs/dbraw/zinc/21/63/41/139216341.db2.gz MCOMGOCVZMJFAN-CABCVRRESA-N 2 0 332.448 1.176 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]21 ZINC000261941494 139238746 /nfs/dbraw/zinc/23/87/46/139238746.db2.gz UUBIXSUBQHMTSY-TUKIKUTGSA-N 2 0 332.835 1.907 20 0 EDADRP c1cnc(Oc2ccc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cn1 ZINC000262129472 139253379 /nfs/dbraw/zinc/25/33/79/139253379.db2.gz NSJUDLKFHFASIN-KRWDZBQOSA-N 2 0 339.443 1.748 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC[N@@H+]1CCOC ZINC000415992174 251044190 /nfs/dbraw/zinc/04/41/90/251044190.db2.gz AVHUEKSSIXKFIZ-NWDGAFQWSA-N 2 0 340.390 1.018 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC[N@@H+]1CCOC ZINC000415992173 251044209 /nfs/dbraw/zinc/04/42/09/251044209.db2.gz AVHUEKSSIXKFIZ-NEPJUHHUSA-N 2 0 340.390 1.018 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000417087392 251141674 /nfs/dbraw/zinc/14/16/74/251141674.db2.gz ZYNVJAWNGPNNJC-QZTJIDSGSA-N 2 0 330.476 1.826 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000417312157 251155533 /nfs/dbraw/zinc/15/55/33/251155533.db2.gz NCVAEORHMDJPJN-RCCFBDPRSA-N 2 0 348.491 1.745 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC1 ZINC000417550572 251186920 /nfs/dbraw/zinc/18/69/20/251186920.db2.gz VSVNZUPOUSGESJ-HNNXBMFYSA-N 2 0 340.512 1.707 20 0 EDADRP C[C@@H](CNC(=O)N1CCNC[C@](C)(F)C1)[N@H+](C)Cc1ccccc1 ZINC000417576314 251194396 /nfs/dbraw/zinc/19/43/96/251194396.db2.gz HERRNGWEQUJAJT-YJBOKZPZSA-N 2 0 336.455 1.850 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1CC[NH2+]C1 ZINC000417590672 251200154 /nfs/dbraw/zinc/20/01/54/251200154.db2.gz HSSYRKMGCGQKMA-KRWDZBQOSA-N 2 0 346.475 1.570 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417670639 251222843 /nfs/dbraw/zinc/22/28/43/251222843.db2.gz OPHZTEBXJORKKH-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)C[C@H]1COCC[NH2+]1 ZINC000262444524 139279360 /nfs/dbraw/zinc/27/93/60/139279360.db2.gz VGDSSHPCTBWCCB-WBQJQJEBSA-N 2 0 345.487 1.638 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000417847034 251295156 /nfs/dbraw/zinc/29/51/56/251295156.db2.gz UNVVJCFOBJBJTC-NXHRZFHOSA-N 2 0 346.475 1.409 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000417845080 251295987 /nfs/dbraw/zinc/29/59/87/251295987.db2.gz IIRLWBRYWCZEDG-OAHLLOKOSA-N 2 0 348.491 1.441 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)N[C@H]1CCC[NH2+]C1 ZINC000417847661 251296073 /nfs/dbraw/zinc/29/60/73/251296073.db2.gz KFKZSULOOQCOLL-KRWDZBQOSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)cc1 ZINC000417824048 251284581 /nfs/dbraw/zinc/28/45/81/251284581.db2.gz ZIAOSEALSWSRCI-GUYCJALGSA-N 2 0 327.432 1.757 20 0 EDADRP C[C@@H](C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1)C1C[NH2+]C1 ZINC000262464734 139280823 /nfs/dbraw/zinc/28/08/23/139280823.db2.gz XPMKHMHERBGXSC-QGZVFWFLSA-N 2 0 344.503 1.118 20 0 EDADRP CN(CC[NH3+])C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417945459 251317867 /nfs/dbraw/zinc/31/78/67/251317867.db2.gz QZPDIRMVVBSSEZ-KBPBESRZSA-N 2 0 328.819 1.824 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000418434590 251369864 /nfs/dbraw/zinc/36/98/64/251369864.db2.gz FHELPYMGGDNELY-SJORKVTESA-N 2 0 339.528 1.171 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262528168 139284367 /nfs/dbraw/zinc/28/43/67/139284367.db2.gz MFEQFHUAMJKXMU-QWHCGFSZSA-N 2 0 332.448 1.306 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)c1ccco1 ZINC000418161369 251349455 /nfs/dbraw/zinc/34/94/55/251349455.db2.gz FADXVFWTIXTXGC-YHUYYLMFSA-N 2 0 334.464 1.960 20 0 EDADRP C[C@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262531768 139284627 /nfs/dbraw/zinc/28/46/27/139284627.db2.gz MCPRMPQPZCQIGJ-XHSDSOJGSA-N 2 0 345.487 1.768 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@H](CC[NH3+])C2)CC[NH+](C)CC1 ZINC000418193950 251353416 /nfs/dbraw/zinc/35/34/16/251353416.db2.gz CVIZGJKDDUZAOZ-CQSZACIVSA-N 2 0 328.526 1.584 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCO[C@@H](C[NH+](C)C)C2)cc1 ZINC000418348948 251362164 /nfs/dbraw/zinc/36/21/64/251362164.db2.gz JMZMTDLENHIULO-ZWKOTPCHSA-N 2 0 348.491 1.782 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C(F)F ZINC000418706519 251389866 /nfs/dbraw/zinc/38/98/66/251389866.db2.gz HPBBSILVFIPSDO-HZSPNIEDSA-N 2 0 344.381 1.634 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H](C)CCCC[NH3+])CC[N@@H+]1CCOC ZINC000418678130 251384235 /nfs/dbraw/zinc/38/42/35/251384235.db2.gz VEIDWFCUINHBOP-CVEARBPZSA-N 2 0 328.501 1.646 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C[C@H]1C ZINC000418685684 251386088 /nfs/dbraw/zinc/38/60/88/251386088.db2.gz NHUXUTVUWUOXRQ-MXSMSXNCSA-N 2 0 330.476 1.866 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418701804 251388338 /nfs/dbraw/zinc/38/83/38/251388338.db2.gz DEKZZNNSPUHOOO-KSZLIROESA-N 2 0 330.476 1.887 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)C1 ZINC000418760787 251418734 /nfs/dbraw/zinc/41/87/34/251418734.db2.gz HKHSCDWNWIVPFF-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000262651598 139293097 /nfs/dbraw/zinc/29/30/97/139293097.db2.gz RELKWSREVDZEIW-RBUKOAKNSA-N 2 0 344.503 1.438 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422755784 251966072 /nfs/dbraw/zinc/96/60/72/251966072.db2.gz HATOOXLTHGKUGH-WFASDCNBSA-N 2 0 345.896 1.725 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]C1 ZINC000423777424 252071116 /nfs/dbraw/zinc/07/11/16/252071116.db2.gz RGPFJNJREHUGDJ-LJQANCHMSA-N 2 0 331.460 1.890 20 0 EDADRP COc1ccc([C@H](NC[C@H]2CCCC[N@@H+]2CCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423148822 252037403 /nfs/dbraw/zinc/03/74/03/252037403.db2.gz WOXMXSNBXXHEOV-HOJAQTOUSA-N 2 0 347.503 1.925 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423840995 252089008 /nfs/dbraw/zinc/08/90/08/252089008.db2.gz FNQJYMRHCKUNDW-QZTJIDSGSA-N 2 0 343.471 1.224 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228142 252170600 /nfs/dbraw/zinc/17/06/00/252170600.db2.gz VWMMHMNSIUBPIK-QGZVFWFLSA-N 2 0 339.443 1.220 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C(C)(C)C ZINC000424149286 252145074 /nfs/dbraw/zinc/14/50/74/252145074.db2.gz WHEQPRAMSHIYQR-UKRRQHHQSA-N 2 0 336.484 1.299 20 0 EDADRP C[N@H+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C1CCCCC1 ZINC000424135235 252137864 /nfs/dbraw/zinc/13/78/64/252137864.db2.gz OMIVOOMWOFOMEK-OAHLLOKOSA-N 2 0 334.468 1.197 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424482179 252250220 /nfs/dbraw/zinc/25/02/20/252250220.db2.gz SZBWKGXMBQIPGN-HUUCEWRRSA-N 2 0 335.452 1.091 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898282 252313286 /nfs/dbraw/zinc/31/32/86/252313286.db2.gz YMORNIBANMRYMB-KBXCAEBGSA-N 2 0 345.447 1.743 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000246578846 285023066 /nfs/dbraw/zinc/02/30/66/285023066.db2.gz CDCWZCNULFOUIB-ZACQAIPSSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415663632 304251406 /nfs/dbraw/zinc/25/14/06/304251406.db2.gz ZBHVGALJTFQYOS-OAHLLOKOSA-N 2 0 346.475 1.378 20 0 EDADRP C[NH+]1CCC(CCNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112281478 220283373 /nfs/dbraw/zinc/28/33/73/220283373.db2.gz SKNUTTSONJZPQU-UHFFFAOYSA-N 2 0 345.491 1.295 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415723599 304261622 /nfs/dbraw/zinc/26/16/22/304261622.db2.gz DSBMQPKSHDEEAK-WMLDXEAASA-N 2 0 344.459 1.212 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000471647034 255015424 /nfs/dbraw/zinc/01/54/24/255015424.db2.gz YXJXAVVJHFQWTH-UHFFFAOYSA-N 2 0 348.491 1.312 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CC12CCOCC2 ZINC000365783102 285247128 /nfs/dbraw/zinc/24/71/28/285247128.db2.gz CGEDGXNSRBUDFY-SJORKVTESA-N 2 0 337.508 1.678 20 0 EDADRP CN(C)c1cc(NC(=O)NC(C)(C)C[NH3+])ncc1Br ZINC000415786063 304270371 /nfs/dbraw/zinc/27/03/71/304270371.db2.gz IFDAKCAYUYDFMP-UHFFFAOYSA-N 2 0 330.230 1.769 20 0 EDADRP C[C@@]1(CO)CCC[C@@H]1[NH2+]CCOCC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000493541607 255214437 /nfs/dbraw/zinc/21/44/37/255214437.db2.gz GLQXKOFCGWIDHM-XLAORIBOSA-N 2 0 328.497 1.284 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)CC[C@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000494683979 255257737 /nfs/dbraw/zinc/25/77/37/255257737.db2.gz XVVMPSGEMOBJNE-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H](C2CC2)[NH+](C)C)c1 ZINC000118103208 221117127 /nfs/dbraw/zinc/11/71/27/221117127.db2.gz VLYCBHSQNPUSBU-INIZCTEOSA-N 2 0 332.448 1.143 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2ccn(CC[NH+](C)C)n2)[C@@H](C)C1 ZINC000246032356 285368166 /nfs/dbraw/zinc/36/81/66/285368166.db2.gz NTOXHNAIQNIBHN-LSDHHAIUSA-N 2 0 336.484 1.639 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000415888576 304284447 /nfs/dbraw/zinc/28/44/47/304284447.db2.gz ADAJRWQUNITMST-KRWDZBQOSA-N 2 0 332.448 1.301 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000415934963 304286404 /nfs/dbraw/zinc/28/64/04/304286404.db2.gz SYEZOLXZWJPUAP-INIZCTEOSA-N 2 0 334.464 1.764 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)C2CCCCC2)CC[NH2+]CC1 ZINC000571632889 306570439 /nfs/dbraw/zinc/57/04/39/306570439.db2.gz HGVRPTGBNRWWKO-GOEBONIOSA-N 2 0 326.481 1.839 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000269534237 139949786 /nfs/dbraw/zinc/94/97/86/139949786.db2.gz XYFHDODIZJYFTN-IAGOWNOFSA-N 2 0 346.475 1.135 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2=CC[N@H+](C)CC2)cc1 ZINC000272093381 140399675 /nfs/dbraw/zinc/39/96/75/140399675.db2.gz NQWAPUMFFYWDBC-UHFFFAOYSA-N 2 0 346.475 1.688 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)[C@@H](C)C1 ZINC000331475119 141035664 /nfs/dbraw/zinc/03/56/64/141035664.db2.gz CZGXOGVMABWMGU-JYJNAYRXSA-N 2 0 333.480 1.069 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)N1CC[N@@H+]2CCC[C@H]2C1)C1CCOCC1 ZINC000332874471 141242201 /nfs/dbraw/zinc/24/22/01/141242201.db2.gz JIZGRCXLVGGSQB-HOTGVXAUSA-N 2 0 347.463 1.377 20 0 EDADRP Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000332999152 141248600 /nfs/dbraw/zinc/24/86/00/141248600.db2.gz ANXZEXIHOAURGL-ZBFHGGJFSA-N 2 0 331.464 1.936 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCCO1 ZINC000333639123 141349054 /nfs/dbraw/zinc/34/90/54/141349054.db2.gz UFZYVNNABMHGLU-DLBZAZTESA-N 2 0 338.496 1.543 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000333679798 141356082 /nfs/dbraw/zinc/35/60/82/141356082.db2.gz ZMKVBSOVEKADHV-LTTZEQNMSA-N 2 0 338.402 1.841 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000333739141 141370246 /nfs/dbraw/zinc/37/02/46/141370246.db2.gz XIIPKSCMVJWLSV-CVEARBPZSA-N 2 0 338.496 1.543 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339409466 142040593 /nfs/dbraw/zinc/04/05/93/142040593.db2.gz ZAIVFYPNDRHDDY-QGZVFWFLSA-N 2 0 331.460 1.341 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339425666 142044658 /nfs/dbraw/zinc/04/46/58/142044658.db2.gz GNUMHZYOUYFGDE-HXUWFJFHSA-N 2 0 340.471 1.963 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1nc2c(s1)C[C@H]([NH3+])CC2)c1ccc(F)cc1 ZINC000343435852 142844641 /nfs/dbraw/zinc/84/46/41/142844641.db2.gz KYFSCAIVIVLATP-NEPJUHHUSA-N 2 0 334.420 1.779 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@]3(CC)CCC[NH2+]3)cn2)CC1 ZINC000343792217 142890224 /nfs/dbraw/zinc/89/02/24/142890224.db2.gz YTLVNVVHERNRCV-LJQANCHMSA-N 2 0 345.491 1.372 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000345154049 143058515 /nfs/dbraw/zinc/05/85/15/143058515.db2.gz HMEAZWOZTHUJLQ-KRWDZBQOSA-N 2 0 328.464 1.469 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC2CC[NH+](CCCOC)CC2)C[C@@H]1C ZINC000345787355 143133461 /nfs/dbraw/zinc/13/34/61/143133461.db2.gz SCASEYNFKUWDOT-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H](CCNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000345829429 143137690 /nfs/dbraw/zinc/13/76/90/143137690.db2.gz BYLRQOVFSAPBRB-OAHLLOKOSA-N 2 0 326.485 1.007 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCCC2CC[NH+](C)CC2)[N@H+](C)C1 ZINC000347044896 143275937 /nfs/dbraw/zinc/27/59/37/143275937.db2.gz AEEHRKUHFRNQGJ-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347522436 143331718 /nfs/dbraw/zinc/33/17/18/143331718.db2.gz PMSVTJRJMDXFIZ-UHFFFAOYSA-N 2 0 331.460 1.909 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347890736 143375715 /nfs/dbraw/zinc/37/57/15/143375715.db2.gz AVMYCQXIVGQXGG-QAPCUYQASA-N 2 0 335.496 1.602 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000347964057 143384537 /nfs/dbraw/zinc/38/45/37/143384537.db2.gz FKSVMZFUISLVIT-HZPDHXFCSA-N 2 0 340.512 1.166 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000348019439 143391839 /nfs/dbraw/zinc/39/18/39/143391839.db2.gz YKMFJLAJHNLHBV-FQEVSTJZSA-N 2 0 346.519 1.913 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[N@H+](C)C1 ZINC000348434592 143432270 /nfs/dbraw/zinc/43/22/70/143432270.db2.gz JZQGWDAFKYYQGL-BACDZXNISA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333942911 296580384 /nfs/dbraw/zinc/58/03/84/296580384.db2.gz QKVZIBJTFRXNHM-CABCVRRESA-N 2 0 340.537 1.645 20 0 EDADRP CSC(C)(C)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369789519 155176829 /nfs/dbraw/zinc/17/68/29/155176829.db2.gz IIFNLKVIEDYUKV-ZDUSSCGKSA-N 2 0 328.526 1.596 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCCO1 ZINC000416823258 304350257 /nfs/dbraw/zinc/35/02/57/304350257.db2.gz GSLUNVXMIXRYFG-GJZGRUSLSA-N 2 0 336.436 1.176 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCCO1 ZINC000416823261 304350090 /nfs/dbraw/zinc/35/00/90/304350090.db2.gz GSLUNVXMIXRYFG-LSDHHAIUSA-N 2 0 336.436 1.176 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416859278 304352491 /nfs/dbraw/zinc/35/24/91/304352491.db2.gz ZUKGBXJXLAPVGA-UONOGXRCSA-N 2 0 328.407 1.441 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)C[C@@H](C)O1 ZINC000416959888 304355261 /nfs/dbraw/zinc/35/52/61/304355261.db2.gz ZLHZYVDLIFENIT-QBPKDAKJSA-N 2 0 340.512 1.550 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCN1C)[NH+]1CCCC1 ZINC000416960578 304355667 /nfs/dbraw/zinc/35/56/67/304355667.db2.gz QYVJYXRSMNORDD-DLBZAZTESA-N 2 0 339.528 1.090 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416960155 304355672 /nfs/dbraw/zinc/35/56/72/304355672.db2.gz ZNDNZWBEBPHGHZ-KLHDSHLOSA-N 2 0 326.485 1.397 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000416968483 304356928 /nfs/dbraw/zinc/35/69/28/304356928.db2.gz JDPWJZWYEHOBRW-AEFFLSMTSA-N 2 0 348.491 1.944 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)N1CCC[NH2+]CC1 ZINC000416972068 304358376 /nfs/dbraw/zinc/35/83/76/304358376.db2.gz HTHBCDPJUSGUPR-UHFFFAOYSA-N 2 0 330.476 1.698 20 0 EDADRP COCC1(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000261872458 292218541 /nfs/dbraw/zinc/21/85/41/292218541.db2.gz LNYRFEPZHWMKDY-QAPCUYQASA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000355088555 150110417 /nfs/dbraw/zinc/11/04/17/150110417.db2.gz OOSFPBUOHQCKHE-GUDVDZBRSA-N 2 0 345.487 1.764 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)NC(C)(C)CCC[NH3+])ccn2)CC1 ZINC000416981922 304361245 /nfs/dbraw/zinc/36/12/45/304361245.db2.gz HLWMILOHHPHSHN-UHFFFAOYSA-N 2 0 348.495 1.150 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417030994 304362963 /nfs/dbraw/zinc/36/29/63/304362963.db2.gz PXPYWTDNWOEZLA-QAPCUYQASA-N 2 0 330.476 1.861 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417050494 304366723 /nfs/dbraw/zinc/36/67/23/304366723.db2.gz KFRGULSXRRKTAX-QGZVFWFLSA-N 2 0 347.507 1.544 20 0 EDADRP C[NH2+]CCCNC(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417046448 304366316 /nfs/dbraw/zinc/36/63/16/304366316.db2.gz BAUVVBXWDGTKKH-UHFFFAOYSA-N 2 0 347.507 1.416 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC[C@H](N(C)Cc3ncccn3)C2)CCC[N@@H+]1C ZINC000357927503 151199399 /nfs/dbraw/zinc/19/93/99/151199399.db2.gz IZLVWHMURRLLAW-OWCLPIDISA-N 2 0 346.479 1.175 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C3CC3)CCO2)[C@H](C)C1 ZINC000358153368 151289830 /nfs/dbraw/zinc/28/98/30/151289830.db2.gz IIDAQUANBRFQPQ-QRQLOZEOSA-N 2 0 339.524 1.576 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@@H]3C)C2)[C@H](C)C1 ZINC000358187430 151298920 /nfs/dbraw/zinc/29/89/20/151298920.db2.gz JOCSHFPQWLCFKG-OBVSXPTNSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358491437 151393014 /nfs/dbraw/zinc/39/30/14/151393014.db2.gz FFBPTNQUHVPBOK-OAGGEKHMSA-N 2 0 340.512 1.467 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)C1(C)C ZINC000186724838 286306851 /nfs/dbraw/zinc/30/68/51/286306851.db2.gz NRFMFJXNFYVENY-IIDMSEBBSA-N 2 0 325.497 1.757 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1(C)C ZINC000186728793 286306867 /nfs/dbraw/zinc/30/68/67/286306867.db2.gz VMWRHJIUCDXJKK-DXCKQFNASA-N 2 0 339.505 2.000 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360657640 152142343 /nfs/dbraw/zinc/14/23/43/152142343.db2.gz OTVROXJSMLLSMZ-BFYDXBDKSA-N 2 0 342.553 1.986 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CCSC1 ZINC000360748771 152184613 /nfs/dbraw/zinc/18/46/13/152184613.db2.gz XRUSBEQIRBFURI-NVXWUHKLSA-N 2 0 340.537 1.694 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1(C)C ZINC000186726129 286306625 /nfs/dbraw/zinc/30/66/25/286306625.db2.gz JNTSVVXKLDJFQO-FRQCXROJSA-N 2 0 333.476 1.938 20 0 EDADRP COC(=O)CCC[NH+]1CCC(NCC[NH+]2CCCCCC2)CC1 ZINC000360963596 152265064 /nfs/dbraw/zinc/26/50/64/152265064.db2.gz DWIBWTKOLYGLMA-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361362914 152372833 /nfs/dbraw/zinc/37/28/33/152372833.db2.gz WLSQSWHBXYOXDJ-VQIMIIECSA-N 2 0 345.487 1.876 20 0 EDADRP CCn1ccnc1CN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC12CC[NH2+]CC2 ZINC000370158449 155354275 /nfs/dbraw/zinc/35/42/75/155354275.db2.gz CUCCDTLZTGAJPF-CQSZACIVSA-N 2 0 333.480 1.501 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4CC[NH2+][C@@H]4C3)cc2)CC1 ZINC000370157737 155354436 /nfs/dbraw/zinc/35/44/36/155354436.db2.gz CEBZYFRHCPKESQ-VQIMIIECSA-N 2 0 342.487 1.653 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000364218599 153177945 /nfs/dbraw/zinc/17/79/45/153177945.db2.gz HRKNDBIIOJJSGF-SFHVURJKSA-N 2 0 331.460 1.270 20 0 EDADRP C[C@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1CCCC1CCOCC1 ZINC000364244658 153184518 /nfs/dbraw/zinc/18/45/18/153184518.db2.gz ZELDLYLYVYVOCE-PKOBYXMFSA-N 2 0 339.524 1.530 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417193690 304383054 /nfs/dbraw/zinc/38/30/54/304383054.db2.gz LRAJLOUWLULWGK-SQNIBIBYSA-N 2 0 330.476 1.695 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+]C1CC(OC(C)C)C1 ZINC000364459941 153243466 /nfs/dbraw/zinc/24/34/66/153243466.db2.gz DQKUADAPGVFOKB-UHFFFAOYSA-N 2 0 349.523 1.916 20 0 EDADRP CC(C)N1CCc2nc(C[NH2+]C[C@]3(O)CCO[C@H]3C)sc2C1 ZINC000364779056 153330744 /nfs/dbraw/zinc/33/07/44/153330744.db2.gz DXLBUVWBISNYDM-BLLLJJGKSA-N 2 0 325.478 1.539 20 0 EDADRP CCCCOC[C@@H](O)C[NH+]1CCC(N2CC[NH+](CCC)CC2)CC1 ZINC000365003864 153395905 /nfs/dbraw/zinc/39/59/05/153395905.db2.gz XECIKOYSYCNIRC-IBGZPJMESA-N 2 0 341.540 1.656 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417242436 304387472 /nfs/dbraw/zinc/38/74/72/304387472.db2.gz UKPJHYNUGGCZFS-OLZOCXBDSA-N 2 0 332.439 1.793 20 0 EDADRP C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)NCc1cccnc1)CC2)C1CC1 ZINC000367206577 154041941 /nfs/dbraw/zinc/04/19/41/154041941.db2.gz BHYCTACULQQYHI-KRWDZBQOSA-N 2 0 342.487 1.894 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)N(CCC[NH3+])Cc2ccccc2)cn1 ZINC000367471424 154138905 /nfs/dbraw/zinc/13/89/05/154138905.db2.gz QXZCYNYWCLGRQB-MSOLQXFVSA-N 2 0 341.459 1.101 20 0 EDADRP O=C(Nc1cccc2c1C[NH2+]CC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000367512846 154154962 /nfs/dbraw/zinc/15/49/62/154154962.db2.gz GZHAMCCXTRTAMQ-AWEZNQCLSA-N 2 0 325.416 1.706 20 0 EDADRP CC[NH2+]CCNC(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000417326403 304392179 /nfs/dbraw/zinc/39/21/79/304392179.db2.gz GELJTSQOMHQEDP-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCCC1=CC[NH2+]CC1 ZINC000417360851 304394650 /nfs/dbraw/zinc/39/46/50/304394650.db2.gz KBGOVFCPRNGUFY-UHFFFAOYSA-N 2 0 346.475 1.736 20 0 EDADRP COC(=O)[C@@H]1C[C@@H](OC)CCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000369501687 155061789 /nfs/dbraw/zinc/06/17/89/155061789.db2.gz UDBKYKQALSATLK-IRXDYDNUSA-N 2 0 341.496 1.055 20 0 EDADRP C[C@H](C(=O)N1CCC[N@@H+](C2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000369535136 155076188 /nfs/dbraw/zinc/07/61/88/155076188.db2.gz NXBUQYJQURBUDS-BRWVUGGUSA-N 2 0 337.508 1.961 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000417480863 304399311 /nfs/dbraw/zinc/39/93/11/304399311.db2.gz MWYJFPLZGJKWPC-KRWDZBQOSA-N 2 0 348.491 1.816 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)c1cnn(C)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000372336184 156340000 /nfs/dbraw/zinc/34/00/00/156340000.db2.gz DTDZLBJGYCYLMA-IEZWGBDMSA-N 2 0 328.460 1.954 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@@H]1C[C@H](O)C[NH+]1Cc1ccccc1)C1CC1 ZINC000372381956 156362517 /nfs/dbraw/zinc/36/25/17/156362517.db2.gz AJMJIMTZZLMALC-ROUUACIJSA-N 2 0 346.475 1.015 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000417522727 304402869 /nfs/dbraw/zinc/40/28/69/304402869.db2.gz QNLATXFEWXSJNJ-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000417535184 304404394 /nfs/dbraw/zinc/40/43/94/304404394.db2.gz BMPNZSWYLNCYMF-GJZGRUSLSA-N 2 0 340.512 1.693 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)C1 ZINC000417546339 304404764 /nfs/dbraw/zinc/40/47/64/304404764.db2.gz MGTYLRIJEAMLBL-AWEZNQCLSA-N 2 0 326.485 1.269 20 0 EDADRP COCCSCCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000373910490 157060370 /nfs/dbraw/zinc/06/03/70/157060370.db2.gz ZRAJDJNROOHPKM-KRWDZBQOSA-N 2 0 329.554 1.856 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)C34CCC[NH+]3CCC4)CCC[N@@H+]2C)cn1 ZINC000377952041 158037690 /nfs/dbraw/zinc/03/76/90/158037690.db2.gz UAQWIZRSUGZZGL-WBVHZDCISA-N 2 0 345.491 1.548 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000378265012 158123624 /nfs/dbraw/zinc/12/36/24/158123624.db2.gz SVYRNYHJHQVMKX-ZBFHGGJFSA-N 2 0 334.464 1.529 20 0 EDADRP CCOC(=O)[C@](C)(O)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000352422839 162174920 /nfs/dbraw/zinc/17/49/20/162174920.db2.gz KXRPKZWRQMOTOD-WSTZPKSXSA-N 2 0 346.471 1.754 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCC2)CC[N@@H+]1C[C@H](C)O ZINC000345321761 287139727 /nfs/dbraw/zinc/13/97/27/287139727.db2.gz PYCRIMPXKJODAZ-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COC2CCOCC2)CC1 ZINC000120984052 287366767 /nfs/dbraw/zinc/36/67/67/287366767.db2.gz DPUZIGGQFYTTRP-SFHVURJKSA-N 2 0 342.524 1.987 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000166611195 226164205 /nfs/dbraw/zinc/16/42/05/226164205.db2.gz LULPJRVKOSTCFV-IAGOWNOFSA-N 2 0 344.503 1.776 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000123226358 222238978 /nfs/dbraw/zinc/23/89/78/222238978.db2.gz DXFGBDYCTLMFIX-KRWDZBQOSA-N 2 0 345.553 1.712 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418409633 304492888 /nfs/dbraw/zinc/49/28/88/304492888.db2.gz VNTGKKKUYKYFNI-SFHVURJKSA-N 2 0 332.492 1.930 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)NCC1C[NH2+]C1 ZINC000418493734 304503246 /nfs/dbraw/zinc/50/32/46/304503246.db2.gz WZKLJYVBHZSUHB-UHFFFAOYSA-N 2 0 326.391 1.257 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000237156712 273008289 /nfs/dbraw/zinc/00/82/89/273008289.db2.gz BDZJOFBAKLJTMS-ROUUACIJSA-N 2 0 338.540 1.674 20 0 EDADRP C[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000237547448 273010735 /nfs/dbraw/zinc/01/07/35/273010735.db2.gz PAODJTPUYMGRDW-MAUKXSAKSA-N 2 0 331.460 1.318 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC=C(F)C1 ZINC000274058192 268102980 /nfs/dbraw/zinc/10/29/80/268102980.db2.gz DAEFCWGNVOAQKI-UHFFFAOYSA-N 2 0 347.438 1.862 20 0 EDADRP C[C@H](Cn1cccn1)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000273977385 273063951 /nfs/dbraw/zinc/06/39/51/273063951.db2.gz HIFBCQHOBSXQHC-WBVHZDCISA-N 2 0 329.448 1.280 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)C1 ZINC000274539821 273094230 /nfs/dbraw/zinc/09/42/30/273094230.db2.gz BRWDIQXPDHPTSF-HUUCEWRRSA-N 2 0 329.444 1.993 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000276311053 273159207 /nfs/dbraw/zinc/15/92/07/273159207.db2.gz UDHPNTMWVJPKMI-GOSISDBHSA-N 2 0 330.476 1.780 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000277748507 273222755 /nfs/dbraw/zinc/22/27/55/273222755.db2.gz YNWXJTVDSFKWEV-STEAMIEHSA-N 2 0 345.487 1.504 20 0 EDADRP C[C@]([NH3+])(C(=O)NCC1([NH+]2CCCC2)CCOCC1)c1ccccc1 ZINC000278168257 273251226 /nfs/dbraw/zinc/25/12/26/273251226.db2.gz CDTIQUWZZRPESP-GOSISDBHSA-N 2 0 331.460 1.622 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1[C@@H]2Cc3ccccc3[C@H]12 ZINC000155627225 287662870 /nfs/dbraw/zinc/66/28/70/287662870.db2.gz ZLBUWXISXNYAAO-OTWHNJEPSA-N 2 0 344.503 1.707 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000284023457 274051071 /nfs/dbraw/zinc/05/10/71/274051071.db2.gz OTSHYHYGVDSHCL-KRWDZBQOSA-N 2 0 327.432 1.186 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C)cc1 ZINC000285322515 274510830 /nfs/dbraw/zinc/51/08/30/274510830.db2.gz XACZEMHPNZBPCQ-WBVHZDCISA-N 2 0 348.491 1.170 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000418680344 276114274 /nfs/dbraw/zinc/11/42/74/276114274.db2.gz FYOJZUNKASTNAA-FGTMMUONSA-N 2 0 330.476 1.868 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC2(O)CCOCC2)[C@@H](C)C1 ZINC000353904640 276315738 /nfs/dbraw/zinc/31/57/38/276315738.db2.gz AXERHNXGDOQOFX-IRXDYDNUSA-N 2 0 328.497 1.645 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000348108190 276375238 /nfs/dbraw/zinc/37/52/38/276375238.db2.gz JUNLBTGBXCYLAA-ULQDDVLXSA-N 2 0 338.496 1.365 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2CCC[C@H](C(N)=O)C2)[C@@H]1C ZINC000354331186 277065619 /nfs/dbraw/zinc/06/56/19/277065619.db2.gz QIQFMLUIVIOKHU-UGUYLWEFSA-N 2 0 339.480 1.141 20 0 EDADRP CS[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)C[C@@H]1[NH+]1CCCC1 ZINC000286167065 287951241 /nfs/dbraw/zinc/95/12/41/287951241.db2.gz TVOCPSMUYYKBBP-HOTGVXAUSA-N 2 0 330.457 1.986 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[C@H]4[NH2+]3)C2)CC1 ZINC000364850236 277611786 /nfs/dbraw/zinc/61/17/86/277611786.db2.gz KCAAMCFLNBLXJU-MANSERQUSA-N 2 0 348.535 1.534 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000377201505 277719554 /nfs/dbraw/zinc/71/95/54/277719554.db2.gz LJBJNUNUSVJTCC-PREGVCBESA-N 2 0 325.497 1.852 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2C1 ZINC000367901866 278056743 /nfs/dbraw/zinc/05/67/43/278056743.db2.gz HMEVFDQKTZIEEI-JXFKEZNVSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CC[N@H+](C3CCOCC3)C[C@@H]2C)CCC[NH+]1C ZINC000426210183 278084346 /nfs/dbraw/zinc/08/43/46/278084346.db2.gz LBVGRJZKHNOLLO-UXLLHSPISA-N 2 0 338.496 1.364 20 0 EDADRP Cc1cc(C)n2c(C[NH+]3CCC(OCC[NH+](C)C)CC3)cnc2n1 ZINC000353550343 278679447 /nfs/dbraw/zinc/67/94/47/278679447.db2.gz OAGCFGQKAPMNHF-UHFFFAOYSA-N 2 0 331.464 1.889 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000339921042 278867529 /nfs/dbraw/zinc/86/75/29/278867529.db2.gz CWMGIPBBNAULBA-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@H]1C ZINC000352213435 279108395 /nfs/dbraw/zinc/10/83/95/279108395.db2.gz HUEAAIJJNFSGQD-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000343176312 279177633 /nfs/dbraw/zinc/17/76/33/279177633.db2.gz ZXDVNLROUKYPBH-CVEARBPZSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCCC2 ZINC000372155423 279329584 /nfs/dbraw/zinc/32/95/84/279329584.db2.gz FVXWBMPEAQUFTE-INIZCTEOSA-N 2 0 347.507 1.708 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000353875394 279366115 /nfs/dbraw/zinc/36/61/15/279366115.db2.gz VZRIYEAKSCRXFV-ZWKOTPCHSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](CC3(O)CCOCC3)CC2)C[C@@H](C)O1 ZINC000158107029 288152482 /nfs/dbraw/zinc/15/24/82/288152482.db2.gz NAAONSNPXFFVOD-HZPDHXFCSA-N 2 0 326.481 1.349 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H]2CCO[C@H]2c2ccnn2C)CCCO1 ZINC000343551610 288163027 /nfs/dbraw/zinc/16/30/27/288163027.db2.gz KDTDVUNZNNWUEL-JFIYKMOQSA-N 2 0 336.480 1.588 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000359288483 279904090 /nfs/dbraw/zinc/90/40/90/279904090.db2.gz ZDJOKYKYTAFPOC-GOEBONIOSA-N 2 0 327.513 1.872 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000287223029 288184786 /nfs/dbraw/zinc/18/47/86/288184786.db2.gz RMMXNPWFHANQLK-KRWDZBQOSA-N 2 0 347.507 1.448 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287561159 288265915 /nfs/dbraw/zinc/26/59/15/288265915.db2.gz GEWVVGZGIYJVJO-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343919847 288298088 /nfs/dbraw/zinc/29/80/88/288298088.db2.gz IDFLXYCQGFHSEQ-QAPCUYQASA-N 2 0 334.508 1.288 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353435561 288357786 /nfs/dbraw/zinc/35/77/86/288357786.db2.gz WQYWPGVVXPULLC-IAGOWNOFSA-N 2 0 337.508 1.914 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)NC[C@@H]3C[NH2+]CCO3)C2)CC1 ZINC000333580280 281821534 /nfs/dbraw/zinc/82/15/34/281821534.db2.gz UBRWRNSCYNWXDW-IRXDYDNUSA-N 2 0 338.496 1.128 20 0 EDADRP C[NH+](C)CCCC[NH2+][C@H]1CCCc2ccc(S(N)(=O)=O)cc21 ZINC000289556046 288729249 /nfs/dbraw/zinc/72/92/49/288729249.db2.gz CKSNAJKUQLFYBE-INIZCTEOSA-N 2 0 325.478 1.643 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000290103402 288839682 /nfs/dbraw/zinc/83/96/82/288839682.db2.gz IERHOMCXERQZAC-RDJZCZTQSA-N 2 0 331.464 1.406 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000290238810 288863786 /nfs/dbraw/zinc/86/37/86/288863786.db2.gz JCIWJPPNTZRRKU-HZPDHXFCSA-N 2 0 333.432 1.220 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])CCC(=O)OC)c1ccccc1 ZINC000290346203 288884006 /nfs/dbraw/zinc/88/40/06/288884006.db2.gz PUTWMWANJPCUHP-JKSUJKDBSA-N 2 0 335.448 1.466 20 0 EDADRP C[C@H](C[NH+]1CC[C@@H](n2cccn2)C1)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291688116 289150869 /nfs/dbraw/zinc/15/08/69/289150869.db2.gz HGHHKVAZDZJSRS-NNZMDNLPSA-N 2 0 328.464 1.910 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000291952325 289224278 /nfs/dbraw/zinc/22/42/78/289224278.db2.gz WTAPHHOYFKSARX-UHFFFAOYSA-N 2 0 349.479 1.259 20 0 EDADRP C[C@H](CN1CCN(C)CC1)[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000292006214 289236872 /nfs/dbraw/zinc/23/68/72/289236872.db2.gz VHBBUVHHVKUKQX-MRXNPFEDSA-N 2 0 328.464 1.052 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H](C[NH3+])C3(C2)CCOCC3)C1 ZINC000417819200 289306424 /nfs/dbraw/zinc/30/64/24/289306424.db2.gz BNXPBUKBDUIMIX-OWCLPIDISA-N 2 0 338.496 1.256 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H](O)C(F)F)C1CC[NH+](C)CC1 ZINC000344759694 289785523 /nfs/dbraw/zinc/78/55/23/289785523.db2.gz MISVAKJAEMNFNT-INIZCTEOSA-N 2 0 327.419 1.933 20 0 EDADRP COC[C@]1(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)CCC[NH2+]1 ZINC000416788576 293290032 /nfs/dbraw/zinc/29/00/32/293290032.db2.gz BVKSEUDWRGTKRI-QGZVFWFLSA-N 2 0 326.485 1.363 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000417308812 293290140 /nfs/dbraw/zinc/29/01/40/293290140.db2.gz IESAXHUMROBBDH-IEBWSBKVSA-N 2 0 348.491 1.666 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000418556185 304512796 /nfs/dbraw/zinc/51/27/96/304512796.db2.gz JDPCTCYTPTUKIN-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418564210 304513592 /nfs/dbraw/zinc/51/35/92/304513592.db2.gz JHUYBRAMXQQIHK-IFUGULHKSA-N 2 0 326.391 1.399 20 0 EDADRP CN(CC[NH+](C)C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418574417 304514460 /nfs/dbraw/zinc/51/44/60/304514460.db2.gz VJLFEESETJVSPC-CZUORRHYSA-N 2 0 340.418 1.613 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C2CC3CC(C2)CC1C3 ZINC000418664037 304527910 /nfs/dbraw/zinc/52/79/10/304527910.db2.gz ZGNUWXXSBIIGDF-YZEYPORGSA-N 2 0 346.519 1.827 20 0 EDADRP C[C@H](NC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000358861893 299012015 /nfs/dbraw/zinc/01/20/15/299012015.db2.gz ZBCGEHUEUVOBCZ-ILXRZTDVSA-N 2 0 340.512 1.020 20 0 EDADRP Cn1ccnc1CN(C(=O)[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC12CC[NH2+]CC2 ZINC000361254634 302987205 /nfs/dbraw/zinc/98/72/05/302987205.db2.gz ZYURYEGIZBXZQY-PMPSAXMXSA-N 2 0 345.491 1.408 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H](C)C[NH+](C)C)CC2)c1 ZINC000293601120 302990906 /nfs/dbraw/zinc/99/09/06/302990906.db2.gz ASYVOFKFGAUKHM-SFHVURJKSA-N 2 0 346.519 1.821 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000419658742 447326558 /nfs/dbraw/zinc/32/65/58/447326558.db2.gz YTZSXSUDNGLEAS-LSDHHAIUSA-N 2 0 348.491 1.204 20 0 EDADRP O=C(N[C@H]1CCC[N@@H+](CCCO)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000295598914 303240149 /nfs/dbraw/zinc/24/01/49/303240149.db2.gz WYSUASVDGMRTFM-IBGZPJMESA-N 2 0 345.487 1.859 20 0 EDADRP CSC[C@H](O)C[N@@H+]1CC[C@H](Oc2cccnc2N2CCCC2)C1 ZINC000296028967 303290151 /nfs/dbraw/zinc/29/01/51/303290151.db2.gz RXCRUETZULECAV-CABCVRRESA-N 2 0 337.489 1.859 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCc1cccnc1N1CCOCC1 ZINC000296570201 303325191 /nfs/dbraw/zinc/32/51/91/303325191.db2.gz VYQBPDACQWQWEZ-KRWDZBQOSA-N 2 0 340.427 1.543 20 0 EDADRP Cc1cc(C)cc(OCC(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000297136915 303364283 /nfs/dbraw/zinc/36/42/83/303364283.db2.gz ZABUYXGWQHCXQV-UHFFFAOYSA-N 2 0 345.487 1.826 20 0 EDADRP Cc1ccn2cc(CNC(=O)N[C@@H]3CCC[N@H+](CCCO)C3)nc2c1 ZINC000297273168 303381012 /nfs/dbraw/zinc/38/10/12/303381012.db2.gz GAHGHSVVROLIKC-OAHLLOKOSA-N 2 0 345.447 1.289 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000414877683 447339069 /nfs/dbraw/zinc/33/90/69/447339069.db2.gz MMTNSTVHXRYWBM-ZDUSSCGKSA-N 2 0 332.448 1.334 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751902 304879958 /nfs/dbraw/zinc/87/99/58/304879958.db2.gz BVNNWUXKMPGABC-WFASDCNBSA-N 2 0 345.896 1.596 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423212090 304889563 /nfs/dbraw/zinc/88/95/63/304889563.db2.gz ZQMXVFDKZMCCDE-ZDUSSCGKSA-N 2 0 334.855 1.477 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])cc1 ZINC000423298384 304891571 /nfs/dbraw/zinc/89/15/71/304891571.db2.gz OFXZSKUEVJEFHB-KGLIPLIRSA-N 2 0 327.494 1.963 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC[NH2+]CC1 ZINC000423411420 304894714 /nfs/dbraw/zinc/89/47/14/304894714.db2.gz ULZYVDKEUYHOJF-OAHLLOKOSA-N 2 0 329.448 1.934 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000423415952 304894834 /nfs/dbraw/zinc/89/48/34/304894834.db2.gz PRGHJRFWEAETHQ-CVEARBPZSA-N 2 0 340.512 1.153 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423943862 304920243 /nfs/dbraw/zinc/92/02/43/304920243.db2.gz GWHWNISLGWYLRV-GOSISDBHSA-N 2 0 330.476 1.394 20 0 EDADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000424074676 304927789 /nfs/dbraw/zinc/92/77/89/304927789.db2.gz KIKAKEHUDIJZMK-CABCVRRESA-N 2 0 325.416 1.338 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)[C@H](C)C1 ZINC000429806711 305037636 /nfs/dbraw/zinc/03/76/36/305037636.db2.gz XLKQJTOOUMNWBM-QAPCUYQASA-N 2 0 336.524 1.392 20 0 EDADRP CCN(C[C@H]1COc2ccccc2O1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430598339 305057729 /nfs/dbraw/zinc/05/77/29/305057729.db2.gz CRKCENJYGGSFII-INIZCTEOSA-N 2 0 347.459 1.346 20 0 EDADRP [NH3+][C@H]1CCN(CC(=O)Nc2cccc(C[NH+]3CCSCC3)c2)C1 ZINC000430606283 305058288 /nfs/dbraw/zinc/05/82/88/305058288.db2.gz WAOYMPJBDJQDDK-HNNXBMFYSA-N 2 0 334.489 1.207 20 0 EDADRP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000430632369 305060432 /nfs/dbraw/zinc/06/04/32/305060432.db2.gz XDLQOQMXIDEFNZ-ZMSDIMECSA-N 2 0 346.475 1.039 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000430642426 305061071 /nfs/dbraw/zinc/06/10/71/305061071.db2.gz KKBUJPMESDMYMY-MRXNPFEDSA-N 2 0 344.459 1.159 20 0 EDADRP C[C@@H](C(=O)N(C)C[C@H]1COc2ccccc2O1)[NH+]1CCC(C[NH3+])CC1 ZINC000430648793 305061282 /nfs/dbraw/zinc/06/12/82/305061282.db2.gz HQGXZCARROTAOO-HOCLYGCPSA-N 2 0 347.459 1.344 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000430753286 305064245 /nfs/dbraw/zinc/06/42/45/305064245.db2.gz HXILBWHSYRAOBS-KRWDZBQOSA-N 2 0 335.423 1.285 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@]2(C)CC[NH2+]C2)c1 ZINC000430886308 305066871 /nfs/dbraw/zinc/06/68/71/305066871.db2.gz AQSWRQRRZRGEFF-LJQANCHMSA-N 2 0 349.475 1.259 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000430908998 305067640 /nfs/dbraw/zinc/06/76/40/305067640.db2.gz YLSKLESFZKPZPQ-UHFFFAOYSA-N 2 0 333.476 1.805 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430928220 305068718 /nfs/dbraw/zinc/06/87/18/305068718.db2.gz SYXDUHHQWSHPJY-UHFFFAOYSA-N 2 0 335.448 1.251 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000431000781 305072414 /nfs/dbraw/zinc/07/24/14/305072414.db2.gz RLWLDLOOPZRLPH-UHFFFAOYSA-N 2 0 325.497 1.997 20 0 EDADRP COC1(C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000431062831 305074032 /nfs/dbraw/zinc/07/40/32/305074032.db2.gz UKANYIQTGALDCW-NVXWUHKLSA-N 2 0 331.460 1.707 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432937003 305098033 /nfs/dbraw/zinc/09/80/33/305098033.db2.gz GEVJDSZPPLRRQP-CQSZACIVSA-N 2 0 326.403 1.980 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433116048 305100695 /nfs/dbraw/zinc/10/06/95/305100695.db2.gz LGKAJJLDDBVVLI-GOSISDBHSA-N 3 0 332.492 1.609 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433114692 305100712 /nfs/dbraw/zinc/10/07/12/305100712.db2.gz GZBQODBXODTWCS-UHFFFAOYSA-N 3 0 346.519 1.958 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1 ZINC000433121898 305101099 /nfs/dbraw/zinc/10/10/99/305101099.db2.gz OSUHPIZFXCHFTD-UHFFFAOYSA-N 2 0 332.448 1.530 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127768 305101292 /nfs/dbraw/zinc/10/12/92/305101292.db2.gz UIFMTGWVLLIPHA-ZACQAIPSSA-N 3 0 338.540 1.672 20 0 EDADRP CCCC(=O)N[C@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433131679 305101410 /nfs/dbraw/zinc/10/14/10/305101410.db2.gz ANJOTWGUZYSXQY-INIZCTEOSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433157322 305101907 /nfs/dbraw/zinc/10/19/07/305101907.db2.gz FOBBSHFRRKIWPV-CALCHBBNSA-N 3 0 338.540 1.674 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433157323 305101921 /nfs/dbraw/zinc/10/19/21/305101921.db2.gz FOBBSHFRRKIWPV-IAGOWNOFSA-N 3 0 338.540 1.674 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433326332 305105982 /nfs/dbraw/zinc/10/59/82/305105982.db2.gz KQLICJXGQZHBNU-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)C1 ZINC000433376334 305106695 /nfs/dbraw/zinc/10/66/95/305106695.db2.gz NFLBROLIPXYGPS-LSDHHAIUSA-N 2 0 334.468 1.007 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433380841 305106922 /nfs/dbraw/zinc/10/69/22/305106922.db2.gz FVABQYDWELBZSF-XUWVNRHRSA-N 2 0 348.495 1.299 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433384671 305107139 /nfs/dbraw/zinc/10/71/39/305107139.db2.gz DSLPOTCESUKHFD-IXDOHACOSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@H]1C ZINC000433402271 305108047 /nfs/dbraw/zinc/10/80/47/305108047.db2.gz WTZYNFIOBTVLGA-OWCLPIDISA-N 2 0 333.480 1.752 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000433927483 305114864 /nfs/dbraw/zinc/11/48/64/305114864.db2.gz SBAFIFPROFEVAR-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000435396340 305139888 /nfs/dbraw/zinc/13/98/88/305139888.db2.gz YFMZTEIQFSWYOA-INIZCTEOSA-N 2 0 331.460 1.859 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CCSC1 ZINC000438895440 305190730 /nfs/dbraw/zinc/19/07/30/305190730.db2.gz QCUXZIXQNDEVGJ-YJBOKZPZSA-N 2 0 346.500 1.591 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2cncc(N3CCC[C@@H]([NH+](C)C)C3)n2)C1 ZINC000439160036 305194772 /nfs/dbraw/zinc/19/47/72/305194772.db2.gz SSSHYBSTFWDMNP-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP C[C@H]1[C@H](C)N(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CCN1C ZINC000442306992 305228432 /nfs/dbraw/zinc/22/84/32/305228432.db2.gz POZOUNWFSDQVAO-GJZGRUSLSA-N 2 0 346.475 1.280 20 0 EDADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443066167 305234280 /nfs/dbraw/zinc/23/42/80/305234280.db2.gz DMZNDKDYDUBGNE-HUUCEWRRSA-N 2 0 349.475 1.942 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)C1(C)C ZINC000444265455 305244944 /nfs/dbraw/zinc/24/49/44/305244944.db2.gz FONQNUXQRHLIET-GPMSIDNRSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+](C)C[C@H](C)O)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000444348191 305246469 /nfs/dbraw/zinc/24/64/69/305246469.db2.gz BBIKDZYIWLKCRJ-XUWVNRHRSA-N 2 0 325.497 1.551 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446612674 305267989 /nfs/dbraw/zinc/26/79/89/305267989.db2.gz DBGAETIRWGFHOL-HNNXBMFYSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621199 305268216 /nfs/dbraw/zinc/26/82/16/305268216.db2.gz VUAWVUKXZHBNIE-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCSC1 ZINC000448250021 305294388 /nfs/dbraw/zinc/29/43/88/305294388.db2.gz RGMHTVXWUBJJDQ-CVEARBPZSA-N 2 0 342.553 1.797 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449131762 305307354 /nfs/dbraw/zinc/30/73/54/305307354.db2.gz PIHHREFBODYWDT-HOCLYGCPSA-N 2 0 325.497 1.628 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H](C)CC(=O)NC)CC1 ZINC000449604768 305315180 /nfs/dbraw/zinc/31/51/80/305315180.db2.gz UQUDASVOWNMWGG-MRXNPFEDSA-N 2 0 332.492 1.833 20 0 EDADRP CC(C)[C@@H](CO)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000451612742 305356289 /nfs/dbraw/zinc/35/62/89/305356289.db2.gz MSBXYAHTKQJFOC-MJGOQNOKSA-N 2 0 339.524 1.608 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(=O)NC)c2)CC1 ZINC000451981970 305376165 /nfs/dbraw/zinc/37/61/65/305376165.db2.gz JISNJJQKUKZLIY-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+](C3CCC3)CC2)CCSC1 ZINC000454612489 305432049 /nfs/dbraw/zinc/43/20/49/305432049.db2.gz SLGLVEAVRBCGTF-KRWDZBQOSA-N 2 0 340.537 1.740 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000514672008 305701732 /nfs/dbraw/zinc/70/17/32/305701732.db2.gz GWMYYCLGCLODHR-LMMKCTJWSA-N 2 0 331.460 1.821 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000515073977 305714542 /nfs/dbraw/zinc/71/45/42/305714542.db2.gz VRWYDMYFSZLPCS-KGLIPLIRSA-N 2 0 345.896 1.786 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000414931418 447362421 /nfs/dbraw/zinc/36/24/21/447362421.db2.gz BSIRMOPIAQZQBH-TYNCELHUSA-N 2 0 330.432 1.386 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000449121991 447362883 /nfs/dbraw/zinc/36/28/83/447362883.db2.gz JUWPGILXYPWMRP-CVEARBPZSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)CCC1 ZINC000529319127 305908551 /nfs/dbraw/zinc/90/85/51/305908551.db2.gz FUBNDCOOUNQZEI-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000414941467 447364952 /nfs/dbraw/zinc/36/49/52/447364952.db2.gz CQWDADPRSFQTJH-CABCVRRESA-N 2 0 332.448 1.334 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530238369 305935420 /nfs/dbraw/zinc/93/54/20/305935420.db2.gz MPBGWVWOCVVEEI-JZXOWHBKSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCN1c1ccccc1 ZINC000530405853 305939819 /nfs/dbraw/zinc/93/98/19/305939819.db2.gz OJQVUDNWCPAVCG-PKOBYXMFSA-N 2 0 346.519 1.853 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(OCC(F)F)c1 ZINC000535514004 306013845 /nfs/dbraw/zinc/01/38/45/306013845.db2.gz NQUVCYJXXIPXSY-UHFFFAOYSA-N 2 0 344.406 1.291 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2ccc(-n3cncn3)c(F)c2)CC1 ZINC000536675533 306025153 /nfs/dbraw/zinc/02/51/53/306025153.db2.gz UMQVNVGGCRVZIP-UHFFFAOYSA-N 2 0 347.438 1.949 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCO[C@H]1C1CC1 ZINC000547363270 306099055 /nfs/dbraw/zinc/09/90/55/306099055.db2.gz VWOGYBJNVKLPJG-FUHWJXTLSA-N 2 0 340.512 1.326 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000548459730 306128374 /nfs/dbraw/zinc/12/83/74/306128374.db2.gz KHSXWSANEQEWHL-SJORKVTESA-N 2 0 338.540 1.780 20 0 EDADRP Cc1cc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])n(Cc2ccccc2)n1 ZINC000556938062 306221393 /nfs/dbraw/zinc/22/13/93/306221393.db2.gz UGXDIGDUKLEJNJ-INIZCTEOSA-N 2 0 342.447 1.346 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000557512682 306228547 /nfs/dbraw/zinc/22/85/47/306228547.db2.gz ZSNJOKMDEHAHJE-LJQANCHMSA-N 2 0 344.503 1.214 20 0 EDADRP C[C@@H](CCNC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCCCC1 ZINC000419716972 447369757 /nfs/dbraw/zinc/36/97/57/447369757.db2.gz SSHBSSGRPSARER-GOEBONIOSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000414963994 447377001 /nfs/dbraw/zinc/37/70/01/447377001.db2.gz BRLOHNNUFTZZEF-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000414968321 447378733 /nfs/dbraw/zinc/37/87/33/447378733.db2.gz FEFNYIDKMAHXDI-AWEZNQCLSA-N 2 0 348.491 1.827 20 0 EDADRP COCC1(C[NH2+]Cc2c(Br)c(C)nn2C)CC[NH2+]CC1 ZINC000414970316 447379009 /nfs/dbraw/zinc/37/90/09/447379009.db2.gz HLZSLFREAROZAH-UHFFFAOYSA-N 2 0 345.285 1.597 20 0 EDADRP CC[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000422228648 447412292 /nfs/dbraw/zinc/41/22/92/447412292.db2.gz AMPGWHMYSLPDHD-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP COCCC[C@H](C)C(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000378496632 447434312 /nfs/dbraw/zinc/43/43/12/447434312.db2.gz QBDHIZODUJUWHJ-RDJZCZTQSA-N 2 0 325.497 1.676 20 0 EDADRP CCOc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000044910103 440907276 /nfs/dbraw/zinc/90/72/76/440907276.db2.gz WZBFELXVFAOFFJ-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP COc1ccc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cc1 ZINC000057157302 441093569 /nfs/dbraw/zinc/09/35/69/441093569.db2.gz RLLUNPCYCBWGOB-UHFFFAOYSA-N 2 0 335.492 1.970 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCn1ccc2ccccc21 ZINC000103212349 441178281 /nfs/dbraw/zinc/17/82/81/441178281.db2.gz NYTGSIYULOYRBD-UHFFFAOYSA-N 2 0 330.476 1.983 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000073726283 441347523 /nfs/dbraw/zinc/34/75/23/441347523.db2.gz PZMGSANDBCPWDF-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000073728649 441347050 /nfs/dbraw/zinc/34/70/50/441347050.db2.gz KLLXGFRQHMAVFL-MRXNPFEDSA-N 2 0 329.488 1.886 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000075007902 441485972 /nfs/dbraw/zinc/48/59/72/441485972.db2.gz RHRUTHUUHIQIQR-UHFFFAOYSA-N 2 0 341.496 1.058 20 0 EDADRP Cc1nc(C)c(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000074664737 441453812 /nfs/dbraw/zinc/45/38/12/441453812.db2.gz SLTWXNNPYNLQNW-UHFFFAOYSA-N 2 0 327.498 1.395 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1COc2ccccc21 ZINC000113185220 441585854 /nfs/dbraw/zinc/58/58/54/441585854.db2.gz PZCTVGZPGSAFOI-KRWDZBQOSA-N 2 0 333.476 1.895 20 0 EDADRP Cc1cc(=O)c(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)c[nH]1 ZINC000173337229 441717996 /nfs/dbraw/zinc/71/79/96/441717996.db2.gz MWNIBPMARDWZDN-UHFFFAOYSA-N 2 0 346.475 1.363 20 0 EDADRP Cn1ccnc1C[C@@H]1CCCN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C1 ZINC000136958484 441735002 /nfs/dbraw/zinc/73/50/02/441735002.db2.gz NYJMNPXZSBELGV-HOTGVXAUSA-N 2 0 345.491 1.869 20 0 EDADRP CCCCNC(=O)CC[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000116388888 441817024 /nfs/dbraw/zinc/81/70/24/441817024.db2.gz JSARAYKIRQJVQZ-HDICACEKSA-N 2 0 338.540 1.783 20 0 EDADRP COc1ccc(OC(F)F)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1 ZINC000077450403 441782258 /nfs/dbraw/zinc/78/22/58/441782258.db2.gz VRJRCCUEZGDSIQ-UHFFFAOYSA-N 2 0 330.375 1.843 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000077596935 441812566 /nfs/dbraw/zinc/81/25/66/441812566.db2.gz AORWFWLPIBUCHW-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP C[NH+](C)CCCC1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092940949 441843095 /nfs/dbraw/zinc/84/30/95/441843095.db2.gz ZOYZBDGRDUBSEG-UHFFFAOYSA-N 2 0 329.452 1.803 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118898970 441909747 /nfs/dbraw/zinc/90/97/47/441909747.db2.gz ULDYVMGTDZOZEB-MRXNPFEDSA-N 2 0 346.475 1.187 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000119663550 441945776 /nfs/dbraw/zinc/94/57/76/441945776.db2.gz CKBAHLQPNIIGED-IRXDYDNUSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000078987215 442003699 /nfs/dbraw/zinc/00/36/99/442003699.db2.gz QLGWTHTVHNVGNO-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H](C)O1 ZINC000079092809 442017922 /nfs/dbraw/zinc/01/79/22/442017922.db2.gz WBBLSANGNOQMIB-OAGGEKHMSA-N 2 0 338.496 1.269 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](CC(C)C)C1 ZINC000126121835 442081268 /nfs/dbraw/zinc/08/12/68/442081268.db2.gz ORWFVXPOUUAWIT-MRXNPFEDSA-N 2 0 328.501 1.232 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175773843 442119331 /nfs/dbraw/zinc/11/93/31/442119331.db2.gz SZLJGRDWFDHXPC-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP CCS(=O)(=O)CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000163463981 442167676 /nfs/dbraw/zinc/16/76/76/442167676.db2.gz RJFQDXRVGIAEDW-CQSZACIVSA-N 2 0 328.478 1.712 20 0 EDADRP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000127454151 442204212 /nfs/dbraw/zinc/20/42/12/442204212.db2.gz GZEBCXRPZVLRSR-SJORKVTESA-N 2 0 335.492 1.998 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[NH+](C3CCOCC3)CC2)C[N@@H+]1C1CC1 ZINC000127420141 442200908 /nfs/dbraw/zinc/20/09/08/442200908.db2.gz HNDIJDKYULTLNV-HUUCEWRRSA-N 2 0 336.480 1.118 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OC[C@H](O)C[NH+](C)C)cc1 ZINC000164718344 442202194 /nfs/dbraw/zinc/20/21/94/442202194.db2.gz LNAJUHZBHYQLTI-AEFFLSMTSA-N 2 0 349.475 1.801 20 0 EDADRP C[N@H+](CC(=O)N1CCN(CCc2ccccc2)CC1)[C@H]1CCSC1 ZINC000153786730 442302772 /nfs/dbraw/zinc/30/27/72/442302772.db2.gz QYLPUFSZWBPTSK-SFHVURJKSA-N 2 0 347.528 1.811 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2CC[NH+](C)CC2)c1 ZINC000129166424 442304011 /nfs/dbraw/zinc/30/40/11/442304011.db2.gz KUBYUEYXVURUDB-UHFFFAOYSA-N 2 0 332.448 1.145 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129543973 442321781 /nfs/dbraw/zinc/32/17/81/442321781.db2.gz UACHAGYRBRQWCD-XMTFNYHQSA-N 2 0 337.508 1.534 20 0 EDADRP Cc1n[nH]cc1C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000130189671 442340755 /nfs/dbraw/zinc/34/07/55/442340755.db2.gz OKFYUVRBLNHKKQ-UHFFFAOYSA-N 2 0 341.459 1.834 20 0 EDADRP Cc1cccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)N2CCOCC2)c1 ZINC000130420611 442346656 /nfs/dbraw/zinc/34/66/56/442346656.db2.gz PDMBAVRNFJDZHH-SJLPKXTDSA-N 2 0 331.460 1.484 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@H](C)[NH2+][C@@H](C)C3)CC2)c1 ZINC000153931913 442311381 /nfs/dbraw/zinc/31/13/81/442311381.db2.gz DCJQIEJFOKKEEZ-ROUUACIJSA-N 2 0 344.503 1.716 20 0 EDADRP C[C@@H](CNC(=O)NCCN1CCOCC1(C)C)C[NH+]1CCCCC1 ZINC000171103981 442313051 /nfs/dbraw/zinc/31/30/51/442313051.db2.gz YSRPNFFMDOMENB-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000154997357 442369875 /nfs/dbraw/zinc/36/98/75/442369875.db2.gz XCUGPLAWBKZYPM-GOSISDBHSA-N 2 0 344.503 1.916 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171625109 442363588 /nfs/dbraw/zinc/36/35/88/442363588.db2.gz MLICXNMGPPSRHJ-KRWDZBQOSA-N 2 0 338.496 1.369 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000178392222 442429645 /nfs/dbraw/zinc/42/96/45/442429645.db2.gz GAJJBAIMGLSNDV-OAHLLOKOSA-N 2 0 331.526 1.642 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178856757 442504964 /nfs/dbraw/zinc/50/49/64/442504964.db2.gz MMXXWZMZIHOXGR-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000178731650 442466168 /nfs/dbraw/zinc/46/61/68/442466168.db2.gz IPEOOEKAJVKZLZ-KRWDZBQOSA-N 2 0 330.476 1.457 20 0 EDADRP Cc1c(C(=O)N2CCC[C@@H]2C[NH+]2CCCC2)nnn1C1CC[NH2+]CC1 ZINC000178735842 442469108 /nfs/dbraw/zinc/46/91/08/442469108.db2.gz LUNRPISYGQMZLF-MRXNPFEDSA-N 2 0 346.479 1.211 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000178755231 442476833 /nfs/dbraw/zinc/47/68/33/442476833.db2.gz SRLCWJPGDGPXKI-INIZCTEOSA-N 2 0 334.489 1.257 20 0 EDADRP COC(=O)C[C@H]1CCC[N@@H+]1C/C=C/C[NH+]1CCC[C@H]1CC(=O)OC ZINC000179621535 442481783 /nfs/dbraw/zinc/48/17/83/442481783.db2.gz ZZIHMTIFDYWRLL-ZOSBBBERSA-N 2 0 338.448 1.598 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000178954019 442537973 /nfs/dbraw/zinc/53/79/73/442537973.db2.gz FXWGCYCNRWDUDP-GOSISDBHSA-N 2 0 344.503 1.623 20 0 EDADRP CN1CC[NH+]([C@H]2CCCCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000186459333 442539320 /nfs/dbraw/zinc/53/93/20/442539320.db2.gz OIXDNSHWEACPMC-SFHVURJKSA-N 2 0 330.476 1.387 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000178891245 442516282 /nfs/dbraw/zinc/51/62/82/442516282.db2.gz GJJSEPCCDOUFAF-MRXNPFEDSA-N 2 0 346.475 1.251 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000186724616 442601592 /nfs/dbraw/zinc/60/15/92/442601592.db2.gz DQKHTYMNIISSRE-IEBWSBKVSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1ccc(OCC[NH+](C)C)cc1 ZINC000180216962 442560360 /nfs/dbraw/zinc/56/03/60/442560360.db2.gz CEPSAAVWBVWFJC-CQSZACIVSA-N 2 0 345.447 1.431 20 0 EDADRP CCO[C@@H]1C[C@](CO)([NH2+]Cc2ccc(-n3ccnc3)nc2)C1(C)C ZINC000186596085 442568949 /nfs/dbraw/zinc/56/89/49/442568949.db2.gz OJFSBPHVMNQWPF-CRAIPNDOSA-N 2 0 330.432 1.923 20 0 EDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCN(C(=O)OCc2ccccc2)CC1 ZINC000192890199 442695660 /nfs/dbraw/zinc/69/56/60/442695660.db2.gz SKCURUWAOFAVQM-IBGZPJMESA-N 2 0 349.475 1.690 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000188052889 442705672 /nfs/dbraw/zinc/70/56/72/442705672.db2.gz SCYXFZQKZAIIDR-CRAIPNDOSA-N 2 0 325.497 1.756 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NCC[N@@H+]1CCCOCC1)C(C)(C)C ZINC000187184306 442659432 /nfs/dbraw/zinc/65/94/32/442659432.db2.gz KKQDTHBTPKQIOT-HNNXBMFYSA-N 2 0 328.501 1.374 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000181739424 442713715 /nfs/dbraw/zinc/71/37/15/442713715.db2.gz RELYVLQXPXCVKS-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182626407 442797642 /nfs/dbraw/zinc/79/76/42/442797642.db2.gz KTYXXALHUSAHMK-ZZJWQFMZSA-N 2 0 339.524 1.263 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000246403467 442779754 /nfs/dbraw/zinc/77/97/54/442779754.db2.gz KDJCVYHMPAGJSB-HOTGVXAUSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@H](Oc1cccnc1)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000265555439 442822110 /nfs/dbraw/zinc/82/21/10/442822110.db2.gz KMHSIFASEPOYOD-INIZCTEOSA-N 2 0 336.480 1.581 20 0 EDADRP C[C@@H](C(=O)N1CCCC1)N1CCN(c2ncnc3[nH]ccc32)CC1 ZINC000268047489 442828738 /nfs/dbraw/zinc/82/87/38/442828738.db2.gz QSNHXOYXZPCXON-ZDUSSCGKSA-N 2 0 328.420 1.091 20 0 EDADRP CCS(=O)(=O)C[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000183037724 442868596 /nfs/dbraw/zinc/86/85/96/442868596.db2.gz WEEDNKBUCWELEW-INIZCTEOSA-N 2 0 345.553 1.350 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)[C@@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000178856653 318450674 /nfs/dbraw/zinc/45/06/74/318450674.db2.gz FMYVEDVWGPGCII-XYJFISCASA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C)[C@H](NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C(=O)OC ZINC000248155852 442885231 /nfs/dbraw/zinc/88/52/31/442885231.db2.gz RIUHCWWVZDHBBO-JKQORVJESA-N 2 0 339.480 1.106 20 0 EDADRP CC[C@H](O)[C@@H]1CCCC[NH+]1CC(O)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000248687204 442918415 /nfs/dbraw/zinc/91/84/15/442918415.db2.gz AISGDSJHWSRWEP-VJANTYMQSA-N 2 0 342.524 1.598 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)C1(C)C ZINC000249077920 442950154 /nfs/dbraw/zinc/95/01/54/442950154.db2.gz OYYRBJSKGPGLJY-FRQCXROJSA-N 2 0 337.508 1.900 20 0 EDADRP CC(C)[NH2+]C1CCN(CC(O)CN2CCC([NH2+]C(C)C)CC2)CC1 ZINC000194720729 442943006 /nfs/dbraw/zinc/94/30/06/442943006.db2.gz IJSBHJLIRFBXRZ-UHFFFAOYSA-N 2 0 340.556 1.272 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000194725334 442943701 /nfs/dbraw/zinc/94/37/01/442943701.db2.gz OGVZXWAXSNXTRW-UHFFFAOYSA-N 2 0 337.508 1.820 20 0 EDADRP COC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000251888271 443020069 /nfs/dbraw/zinc/02/00/69/443020069.db2.gz QCOFOXJYXGNCKA-XSLAGTTESA-N 2 0 344.496 1.238 20 0 EDADRP CC(CN1CC[C@@H]([NH+]2CCCC2)C1)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000226697573 443122367 /nfs/dbraw/zinc/12/23/67/443122367.db2.gz CJYBIHLVEBLZPC-WOJBJXKFSA-N 2 0 334.552 1.963 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2CC[NH2+]CC2)[C@@H](c2ccccc2)C1 ZINC000237202125 443163244 /nfs/dbraw/zinc/16/32/44/443163244.db2.gz TWNMSRLKWAQYNU-LJQANCHMSA-N 2 0 344.503 1.481 20 0 EDADRP CC[N@H+](CCCO)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000266602702 443182628 /nfs/dbraw/zinc/18/26/28/443182628.db2.gz XKEGDUFSOCMJQN-UHFFFAOYSA-N 2 0 347.503 1.734 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(N2CCCC2)nc1 ZINC000262136235 443183891 /nfs/dbraw/zinc/18/38/91/443183891.db2.gz YTPNIJHOKJYGDI-QGZVFWFLSA-N 2 0 345.491 1.501 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262331981 443190629 /nfs/dbraw/zinc/19/06/29/443190629.db2.gz SICAXBJODVLMSF-BRWVUGGUSA-N 2 0 347.507 1.444 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236945662 443153698 /nfs/dbraw/zinc/15/36/98/443153698.db2.gz GMYAKBGKXPZPMJ-UHFFFAOYSA-N 2 0 330.480 1.394 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000236992622 443154144 /nfs/dbraw/zinc/15/41/44/443154144.db2.gz GKJYTYBTHCKNTG-GOSISDBHSA-N 2 0 330.476 1.782 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)[NH+]1CCCCC1 ZINC000269170652 443221074 /nfs/dbraw/zinc/22/10/74/443221074.db2.gz UFLGABVVSWUWHL-GOSISDBHSA-N 2 0 345.491 1.940 20 0 EDADRP CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000185604475 443225765 /nfs/dbraw/zinc/22/57/65/443225765.db2.gz AOGKBGBKAWAILI-BBWFWOEESA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCn4ccnc43)CC2)CCO1 ZINC000245419003 443225932 /nfs/dbraw/zinc/22/59/32/443225932.db2.gz LMDGECPQXRNVSZ-HOCLYGCPSA-N 2 0 332.448 1.472 20 0 EDADRP CCN(CCCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000266752752 443229463 /nfs/dbraw/zinc/22/94/63/443229463.db2.gz CKXRROKAPBPEKF-UHFFFAOYSA-N 2 0 349.479 1.008 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185700260 443240517 /nfs/dbraw/zinc/24/05/17/443240517.db2.gz YVDFMPPDWYDYMD-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@H]1C[C@H](O)C[NH2+]1 ZINC000262484319 443198146 /nfs/dbraw/zinc/19/81/46/443198146.db2.gz YJWJLKRQWCJXTO-ZWKOTPCHSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)C[NH+]1CCN(C)CC1 ZINC000262648061 443205770 /nfs/dbraw/zinc/20/57/70/443205770.db2.gz POJYULKXRLXLKM-SOLBZPMBSA-N 2 0 332.492 1.322 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000262915793 443216475 /nfs/dbraw/zinc/21/64/75/443216475.db2.gz RFWCWGRUZLSSMK-SFHVURJKSA-N 2 0 333.476 1.721 20 0 EDADRP CCS(=O)(=O)NCCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185730452 443246483 /nfs/dbraw/zinc/24/64/83/443246483.db2.gz UXTPVKGVUIJAOR-GJZGRUSLSA-N 2 0 331.526 1.558 20 0 EDADRP CO[C@](C)([C@@H](C)[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000411953664 319216533 /nfs/dbraw/zinc/21/65/33/319216533.db2.gz RZSXIHKERYMOAP-RDTXWAMCSA-N 2 0 325.497 1.769 20 0 EDADRP CO[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414320389 319324822 /nfs/dbraw/zinc/32/48/22/319324822.db2.gz BVISYTQQRYJSIV-CABCVRRESA-N 2 0 333.476 1.897 20 0 EDADRP O=C([C@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000414656858 319337428 /nfs/dbraw/zinc/33/74/28/319337428.db2.gz NSDRTCRZDDEKFE-FHWLQOOXSA-N 2 0 327.472 1.934 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC2CC[NH+](CC(C)C)CC2)cc1 ZINC000414684932 319342045 /nfs/dbraw/zinc/34/20/45/319342045.db2.gz XMOJRCOWAXDEGA-UHFFFAOYSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]1CO[C@@H](c2ccccc2)C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414687970 319342783 /nfs/dbraw/zinc/34/27/83/319342783.db2.gz CIQYFTJMRLKLNS-SOLBZPMBSA-N 2 0 331.460 1.646 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000414993155 319344457 /nfs/dbraw/zinc/34/44/57/319344457.db2.gz LEVFYULFYPHMGF-QGZVFWFLSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000415182743 319347960 /nfs/dbraw/zinc/34/79/60/319347960.db2.gz BXQHHSMQKJHZGP-MRXNPFEDSA-N 2 0 344.459 1.478 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415194388 319348946 /nfs/dbraw/zinc/34/89/46/319348946.db2.gz ZSXCKISKYNZQDA-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@H](C)C2)cc1 ZINC000415254591 319357369 /nfs/dbraw/zinc/35/73/69/319357369.db2.gz KZJHDQOCOQNPSW-KBPBESRZSA-N 2 0 344.459 1.588 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)CC1 ZINC000415740404 319368909 /nfs/dbraw/zinc/36/89/09/319368909.db2.gz WTIVSUSLUVFPHV-UHFFFAOYSA-N 2 0 344.459 1.287 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415741432 319369014 /nfs/dbraw/zinc/36/90/14/319369014.db2.gz JZIJQJABGDNCKS-WMLDXEAASA-N 2 0 344.459 1.212 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c1 ZINC000415939721 319383687 /nfs/dbraw/zinc/38/36/87/319383687.db2.gz ZLOYOEBEQSXZNC-QGZVFWFLSA-N 2 0 334.464 1.764 20 0 EDADRP COc1cccc([C@@H](CNC(=O)Nc2ncccc2C[NH3+])[NH+](C)C)c1 ZINC000416000019 319388924 /nfs/dbraw/zinc/38/89/24/319388924.db2.gz WKJFGMBWEAZAEP-MRXNPFEDSA-N 2 0 343.431 1.973 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415999998 319388953 /nfs/dbraw/zinc/38/89/53/319388953.db2.gz XJARSLCDYIJUDF-QWHCGFSZSA-N 2 0 332.370 1.868 20 0 EDADRP CNC(=O)c1ccc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc1 ZINC000185890165 443277272 /nfs/dbraw/zinc/27/72/72/443277272.db2.gz VVTKLVIKMAJEPT-UHFFFAOYSA-N 2 0 332.492 1.552 20 0 EDADRP C[C@@]1(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]C1 ZINC000269472082 443317049 /nfs/dbraw/zinc/31/70/49/443317049.db2.gz YEXVEUPQNYSBNN-LJQANCHMSA-N 2 0 345.491 1.100 20 0 EDADRP O=C(COc1ccccc1)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000282397772 443327264 /nfs/dbraw/zinc/32/72/64/443327264.db2.gz KHNABCMQHZGSQR-FGTMMUONSA-N 2 0 343.471 1.883 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418560070 319504938 /nfs/dbraw/zinc/50/49/38/319504938.db2.gz PYLKGMPFKWUKBL-KBRIMQKVSA-N 2 0 334.464 1.438 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000418794447 319512764 /nfs/dbraw/zinc/51/27/64/319512764.db2.gz PMEPKWWWQFSTAM-BRSBDYLESA-N 2 0 334.508 1.748 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272654436 443398129 /nfs/dbraw/zinc/39/81/29/443398129.db2.gz LFZVPPHEOYLORG-PKOBYXMFSA-N 3 0 331.504 1.943 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC[N@H+](C)C1CC1 ZINC000264874078 443461752 /nfs/dbraw/zinc/46/17/52/443461752.db2.gz PRZAWPZAMGTCNF-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP NC(=O)C1CC[NH+](C[C@@H](NCCC[NH3+])c2ccc(Cl)cc2)CC1 ZINC000423187077 319755505 /nfs/dbraw/zinc/75/55/05/319755505.db2.gz KULZWRWOVXDPPM-MRXNPFEDSA-N 2 0 338.883 1.517 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000423268407 319760735 /nfs/dbraw/zinc/76/07/35/319760735.db2.gz DOBDKWIUPOVBGP-IAOVAPTHSA-N 2 0 337.489 1.819 20 0 EDADRP COC[C@]1(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000423369886 319768588 /nfs/dbraw/zinc/76/85/88/319768588.db2.gz CJYBQMDFKRXQED-IBGZPJMESA-N 2 0 349.475 1.259 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000273148474 443551693 /nfs/dbraw/zinc/55/16/93/443551693.db2.gz YKHZRTYSVAODAV-IAGOWNOFSA-N 2 0 333.476 1.591 20 0 EDADRP CCN1C[C@H]([NH2+]Cc2ccccc2N2CC[NH+](CC)CC2)CC1=O ZINC000449517638 320193215 /nfs/dbraw/zinc/19/32/15/320193215.db2.gz LALVWMNYPKWYCI-QGZVFWFLSA-N 2 0 330.476 1.539 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](CC)CNS(C)(=O)=O)[C@H](C)C1 ZINC000453296450 320262802 /nfs/dbraw/zinc/26/28/02/320262802.db2.gz YSIPETKZYMXZGM-PMPSAXMXSA-N 2 0 349.541 1.041 20 0 EDADRP CC[NH+]1CCC(NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)CC1 ZINC000457480541 320327479 /nfs/dbraw/zinc/32/74/79/320327479.db2.gz JMAPQXVHSUJZSW-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000457733104 320334129 /nfs/dbraw/zinc/33/41/29/320334129.db2.gz FIDRRNWSWOUAMX-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292997 443684290 /nfs/dbraw/zinc/68/42/90/443684290.db2.gz WIHQGYQGLPIFKO-ZVZYQTTQSA-N 2 0 342.443 1.304 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000492814325 320387056 /nfs/dbraw/zinc/38/70/56/320387056.db2.gz AGZYNNNJLFIRLL-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[NH2+]CCC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000516864518 320442063 /nfs/dbraw/zinc/44/20/63/320442063.db2.gz FNCYLXKDCCWRMT-GOSISDBHSA-N 2 0 332.492 1.479 20 0 EDADRP [NH3+][C@@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)Cc1ccccc1 ZINC000517930915 320453165 /nfs/dbraw/zinc/45/31/65/320453165.db2.gz RXJVONGHUUASPX-GOSISDBHSA-N 2 0 345.487 1.708 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000276682351 443790170 /nfs/dbraw/zinc/79/01/70/443790170.db2.gz SWOBOOOQEJEBFJ-RCCFBDPRSA-N 2 0 331.460 1.080 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000298425653 443766301 /nfs/dbraw/zinc/76/63/01/443766301.db2.gz SWUTUXBCPPBPKC-UHFFFAOYSA-N 2 0 337.464 1.527 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529357703 320576972 /nfs/dbraw/zinc/57/69/72/320576972.db2.gz MNRHLZZIGHCVDC-MRXNPFEDSA-N 2 0 338.496 1.413 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(CC(=O)NCc3ccc4c(c3)OCO4)C2)C1 ZINC000292920248 443879522 /nfs/dbraw/zinc/87/95/22/443879522.db2.gz IESBGNHPQYNWPJ-LJQANCHMSA-N 2 0 345.443 1.449 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000276980446 443883357 /nfs/dbraw/zinc/88/33/57/443883357.db2.gz GUXPEHCMEXLTHP-UXHICEINSA-N 2 0 347.503 1.588 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)[C@@H]2CN(C)CCO2)[NH+](C)C)cc1 ZINC000288482573 443894986 /nfs/dbraw/zinc/89/49/86/443894986.db2.gz YEEUBQTUZMKJBZ-ROUUACIJSA-N 2 0 349.475 1.523 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnc2cnccc2c1 ZINC000281260736 443862198 /nfs/dbraw/zinc/86/21/98/443862198.db2.gz NBWCUQCXBJSMKS-UHFFFAOYSA-N 2 0 343.475 1.975 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000277393709 443977230 /nfs/dbraw/zinc/97/72/30/443977230.db2.gz DLQDPECTABCMQI-VVWQDTPRSA-N 2 0 345.487 1.504 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000288770319 443978504 /nfs/dbraw/zinc/97/85/04/443978504.db2.gz PCOSVCPGYBSUSU-QGZVFWFLSA-N 2 0 347.459 1.390 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CO)CC1)c1ccccc1 ZINC000293341464 443987892 /nfs/dbraw/zinc/98/78/92/443987892.db2.gz YTUBURLZHYXGKK-WMZOPIPTSA-N 2 0 333.476 1.500 20 0 EDADRP CC[C@]1(C)NC(=O)N(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1=O ZINC000277846233 444052395 /nfs/dbraw/zinc/05/23/95/444052395.db2.gz NPAUYIMVPOGPFP-SFHVURJKSA-N 2 0 345.447 1.314 20 0 EDADRP CCN(CCOC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299515910 444068069 /nfs/dbraw/zinc/06/80/69/444068069.db2.gz PALJKXAVLIILEJ-UHFFFAOYSA-N 2 0 349.479 1.272 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc2)CC1 ZINC000299539126 444073737 /nfs/dbraw/zinc/07/37/37/444073737.db2.gz WARZLNCKTVQYPA-MRXNPFEDSA-N 2 0 332.492 1.897 20 0 EDADRP C[C@@H](CNC(=O)N1CCC[C@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000557140005 321000450 /nfs/dbraw/zinc/00/04/50/321000450.db2.gz XFTXRXFNDXNKON-JKSUJKDBSA-N 2 0 330.476 1.814 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000561188116 321035767 /nfs/dbraw/zinc/03/57/67/321035767.db2.gz IPWQHECRZBSDRP-NJAFHUGGSA-N 2 0 330.476 1.806 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCC(=O)Nc2cccnc2)CC1 ZINC000561280791 321038987 /nfs/dbraw/zinc/03/89/87/321038987.db2.gz RSLHMQHFWCTMQM-WMZOPIPTSA-N 2 0 332.448 1.629 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC([NH3+])C1 ZINC000562800297 321076863 /nfs/dbraw/zinc/07/68/63/321076863.db2.gz HIGHSMYEHSWHPS-AOCRQIFASA-N 2 0 330.476 1.682 20 0 EDADRP COC[C@@]1(CNC(=O)NC2CC[NH+](C3CCCC3)CC2)CCC[NH2+]1 ZINC000562810648 321077419 /nfs/dbraw/zinc/07/74/19/321077419.db2.gz XSNMJUZPDMCOLU-SFHVURJKSA-N 2 0 338.496 1.461 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000563060637 321091762 /nfs/dbraw/zinc/09/17/62/321091762.db2.gz UNMFYZPFRHSPJV-HZPDHXFCSA-N 2 0 348.495 1.415 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](O)CC(C)(C)C2)CC1 ZINC000564777075 321147222 /nfs/dbraw/zinc/14/72/22/321147222.db2.gz FCIYBBLZCAVLKW-INIZCTEOSA-N 2 0 325.497 1.458 20 0 EDADRP O=C(C[NH2+][C@H]1CCc2sc(Br)cc21)N1CC[NH2+]CC1 ZINC000564823237 321150002 /nfs/dbraw/zinc/15/00/02/321150002.db2.gz WNQAXMNOMUETID-JTQLQIEISA-N 2 0 344.278 1.519 20 0 EDADRP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000564822976 321150034 /nfs/dbraw/zinc/15/00/34/321150034.db2.gz YAOCSNQYCKAAAA-UHFFFAOYSA-N 2 0 338.540 1.687 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564857348 321152133 /nfs/dbraw/zinc/15/21/33/321152133.db2.gz KCDYGBZXUAUAGU-HUUCEWRRSA-N 2 0 336.432 1.477 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000565039728 321165443 /nfs/dbraw/zinc/16/54/43/321165443.db2.gz BSGNMMWHEXOXDM-MAUKXSAKSA-N 2 0 330.476 1.761 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566057723 321212789 /nfs/dbraw/zinc/21/27/89/321212789.db2.gz MWEBLEFWXUFEQQ-CGTJXYLNSA-N 2 0 348.466 1.912 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000566108069 321215540 /nfs/dbraw/zinc/21/55/40/321215540.db2.gz SHXHMZNXNQTKKZ-GOSISDBHSA-N 2 0 349.475 1.847 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000566176494 321221297 /nfs/dbraw/zinc/22/12/97/321221297.db2.gz NPBXDICCWJFMRZ-LSDHHAIUSA-N 2 0 325.522 1.852 20 0 EDADRP CN(C[C@H](O)C[NH2+]C[C@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093022 321337442 /nfs/dbraw/zinc/33/74/42/321337442.db2.gz DNPVQRNJMOXWQH-TZMCWYRMSA-N 2 0 344.858 1.675 20 0 EDADRP CC1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000571030089 321368143 /nfs/dbraw/zinc/36/81/43/321368143.db2.gz RUZZWLBUCCMIFX-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP C[C@H](C(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)N1CC(C)C1 ZINC000571102679 321371583 /nfs/dbraw/zinc/37/15/83/321371583.db2.gz SMZLIJSTKAXABR-APWZRJJASA-N 2 0 331.460 1.080 20 0 EDADRP CC[C@@H](C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1)[NH+](C)C ZINC000571264464 321380916 /nfs/dbraw/zinc/38/09/16/321380916.db2.gz ZNZJHUVYAKDHDA-MSOLQXFVSA-N 2 0 332.492 1.432 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000571487714 321388386 /nfs/dbraw/zinc/38/83/86/321388386.db2.gz DLVWNENVCBSXBV-IBGZPJMESA-N 2 0 327.472 1.640 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000572346939 321427100 /nfs/dbraw/zinc/42/71/00/321427100.db2.gz GTOYHTDWYQELDF-QGZVFWFLSA-N 2 0 325.416 1.706 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H](O)C[NH+](C)C1CC1 ZINC000289554351 444170818 /nfs/dbraw/zinc/17/08/18/444170818.db2.gz PAWPBUPIBNZYRV-LSTHTHJFSA-N 2 0 331.504 1.942 20 0 EDADRP COc1ccc(C[C@H](CO)C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1O ZINC000289451354 444147711 /nfs/dbraw/zinc/14/77/11/444147711.db2.gz NDVHMOBNSDEULD-BBWFWOEESA-N 2 0 334.460 1.768 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327675 444149358 /nfs/dbraw/zinc/14/93/58/444149358.db2.gz FNARJBIWZDSXBV-MTNOOBJLSA-N 2 0 345.487 1.985 20 0 EDADRP COC(=O)c1ccc([C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000289504519 444160778 /nfs/dbraw/zinc/16/07/78/444160778.db2.gz ULBLNTIYBVDRLU-CQSZACIVSA-N 2 0 325.453 1.943 20 0 EDADRP NC(=O)c1c[nH+]ccc1NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC000302019859 444200548 /nfs/dbraw/zinc/20/05/48/444200548.db2.gz HGZXHNPFCCIPIM-KRWDZBQOSA-N 2 0 344.390 1.805 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000290053110 444235585 /nfs/dbraw/zinc/23/55/85/444235585.db2.gz FFOQYCNXYBMFPY-QZTJIDSGSA-N 2 0 333.476 1.877 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)CO2 ZINC000297651618 444314041 /nfs/dbraw/zinc/31/40/41/444314041.db2.gz KEHZWUPFUSVLIO-RDJZCZTQSA-N 2 0 333.476 1.472 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000290756982 444319904 /nfs/dbraw/zinc/31/99/04/444319904.db2.gz ZBSOPYDHVSGXOC-ROUUACIJSA-N 2 0 330.476 1.796 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000318982583 444321851 /nfs/dbraw/zinc/32/18/51/444321851.db2.gz IVHSZGJVXFUPOM-UHFFFAOYSA-N 2 0 325.478 1.498 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000290609088 444300888 /nfs/dbraw/zinc/30/08/88/444300888.db2.gz PMGVNFWMRJDKMM-GUDVDZBRSA-N 2 0 327.472 1.967 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CCSC1)c1cccc(F)c1 ZINC000339977043 444347646 /nfs/dbraw/zinc/34/76/46/444347646.db2.gz RYCRYVWKBQCCTI-HOTGVXAUSA-N 2 0 339.480 1.982 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000337683779 444350678 /nfs/dbraw/zinc/35/06/78/444350678.db2.gz OPUQCCINAIGETH-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCSC1 ZINC000578334896 321759721 /nfs/dbraw/zinc/75/97/21/321759721.db2.gz YNWRFVRCNWQLKV-CZUORRHYSA-N 2 0 328.526 1.501 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@]1(C)CCCO1 ZINC000340233685 444372219 /nfs/dbraw/zinc/37/22/19/444372219.db2.gz FBPAKAGNVIOYDP-PKOBYXMFSA-N 2 0 347.507 1.926 20 0 EDADRP CC(C)[NH+]1CCC(NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000340504133 444414531 /nfs/dbraw/zinc/41/45/31/444414531.db2.gz HUYQZFSFFPTYIH-FQEVSTJZSA-N 2 0 331.504 1.868 20 0 EDADRP CCC[NH+]1CCN(c2nc(C)nc(N3CC[NH+](CCC)CC3)n2)CC1 ZINC000337917607 444459318 /nfs/dbraw/zinc/45/93/18/444459318.db2.gz SYDYAKVMXGKQMO-UHFFFAOYSA-N 2 0 347.511 1.244 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)[C@H](C)C1 ZINC000580554664 322066343 /nfs/dbraw/zinc/06/63/43/322066343.db2.gz XFPBQRGXUFDOCL-ZACQAIPSSA-N 2 0 327.513 1.826 20 0 EDADRP COc1ccc2ccccc2c1C[N@@H+]1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000580570564 322069702 /nfs/dbraw/zinc/06/97/02/322069702.db2.gz CHPTYOZNKIFTKH-WMLDXEAASA-N 2 0 325.412 1.592 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCN(S(=O)(=O)c3cccs3)C2)C1 ZINC000580902568 322110969 /nfs/dbraw/zinc/11/09/69/322110969.db2.gz KGYSITLPKZWXGM-MGPQQGTHSA-N 2 0 343.518 1.618 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000581078685 322133539 /nfs/dbraw/zinc/13/35/39/322133539.db2.gz AJYXYAXQAFCBRA-UHFFFAOYSA-N 2 0 325.478 1.650 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)C1 ZINC000581715420 322212328 /nfs/dbraw/zinc/21/23/28/322212328.db2.gz FDPBYVDNPIQOMY-AEFFLSMTSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@@H](CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)n1ccnc1 ZINC000581730797 322214931 /nfs/dbraw/zinc/21/49/31/322214931.db2.gz VSKBMWLTOXUTNH-IRXDYDNUSA-N 2 0 334.464 1.938 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)C1 ZINC000581893230 322230044 /nfs/dbraw/zinc/23/00/44/322230044.db2.gz LZXMKCINSBJSKO-KRWDZBQOSA-N 2 0 344.503 1.889 20 0 EDADRP O[C@H](C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000581998048 322242507 /nfs/dbraw/zinc/24/25/07/322242507.db2.gz RJWWIANWQWLMEV-MRXNPFEDSA-N 2 0 345.409 1.707 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000340883981 444557799 /nfs/dbraw/zinc/55/77/99/444557799.db2.gz LGCAZTXMKGEKSR-QGZVFWFLSA-N 2 0 338.496 1.365 20 0 EDADRP C[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)C1CC1 ZINC000332850348 444573112 /nfs/dbraw/zinc/57/31/12/444573112.db2.gz VISXOZNPZVLVRU-DLBZAZTESA-N 2 0 338.496 1.148 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@H]2CCN(S(C)(=O)=O)C2)CC1 ZINC000338280183 444608028 /nfs/dbraw/zinc/60/80/28/444608028.db2.gz KRNPRSSCNIECEQ-MRXNPFEDSA-N 2 0 331.526 1.322 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1c[nH]nc1C ZINC000343907355 444660822 /nfs/dbraw/zinc/66/08/22/444660822.db2.gz ONBRBRPPJJXLEL-INIZCTEOSA-N 2 0 336.484 1.276 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000341082624 444664357 /nfs/dbraw/zinc/66/43/57/444664357.db2.gz HQUAIGPVXZKKJZ-RDJZCZTQSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC[N@@H+]1C ZINC000333440289 444670895 /nfs/dbraw/zinc/67/08/95/444670895.db2.gz VZKJZMRUPMQYPC-YIYWWNGQSA-N 2 0 334.508 1.922 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341098231 444672691 /nfs/dbraw/zinc/67/26/91/444672691.db2.gz YRJCNDQZOJVUFS-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000342341319 444641915 /nfs/dbraw/zinc/64/19/15/444641915.db2.gz SUICPGDVDIZEQK-WMLDXEAASA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H]1CN(CCN(C)C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C[C@H](C)O1 ZINC000333927643 444720974 /nfs/dbraw/zinc/72/09/74/444720974.db2.gz WOSQEPRBEDMGLT-DMRKSPOLSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000333946307 444725807 /nfs/dbraw/zinc/72/58/07/444725807.db2.gz UMRFRCAUMNEWGD-KFWWJZLASA-N 2 0 326.485 1.031 20 0 EDADRP Cn1nc(C(C)(C)C)cc1NC(=O)C[N@H+](C)CCCn1ccnc1 ZINC000341145664 444695128 /nfs/dbraw/zinc/69/51/28/444695128.db2.gz OGVMKQVDQVFHCS-UHFFFAOYSA-N 2 0 332.452 1.875 20 0 EDADRP Cc1nccn1CCC[N@@H+]1CCC[C@H](CNS(=O)(=O)C2CC2)C1 ZINC000344123427 444793391 /nfs/dbraw/zinc/79/33/91/444793391.db2.gz VRUNBYPIUGTDDB-OAHLLOKOSA-N 2 0 340.493 1.375 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1(C)C ZINC000344138531 444802132 /nfs/dbraw/zinc/80/21/32/444802132.db2.gz NQFFWWSDAKGLMS-DLBZAZTESA-N 2 0 327.513 1.170 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC000336857639 444805377 /nfs/dbraw/zinc/80/53/77/444805377.db2.gz UCJWJVXANLRGOC-XHSDSOJGSA-N 2 0 331.526 1.463 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H](C)C1 ZINC000336857305 444805555 /nfs/dbraw/zinc/80/55/55/444805555.db2.gz RKVHUEGBMHBCEK-XHSDSOJGSA-N 2 0 331.526 1.320 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H](C)C(=O)N1CCCCC1 ZINC000344115997 444788883 /nfs/dbraw/zinc/78/88/83/444788883.db2.gz AKLVEQIZYCGVJS-GOSISDBHSA-N 2 0 338.540 1.737 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000342766474 444855747 /nfs/dbraw/zinc/85/57/47/444855747.db2.gz VGZSZFXHKNUUQQ-QAPCUYQASA-N 2 0 333.476 1.674 20 0 EDADRP COC(=O)CCC[NH+]1CCC(N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000342772610 444860086 /nfs/dbraw/zinc/86/00/86/444860086.db2.gz AEKNZSYPFVKRCB-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP CC[N@H+](C)CCNC(=O)C(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000341544196 444885578 /nfs/dbraw/zinc/88/55/78/444885578.db2.gz HCYCWZCVMWPPGV-UHFFFAOYSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000330654936 445081649 /nfs/dbraw/zinc/08/16/49/445081649.db2.gz NPDDSBZCXXMZOH-IUODEOHRSA-N 2 0 345.896 1.548 20 0 EDADRP Cc1c([C@H]2OCC[C@@H]2[NH2+]CCCN2CC[NH+](C(C)C)CC2)cnn1C ZINC000337357917 445046878 /nfs/dbraw/zinc/04/68/78/445046878.db2.gz CXUIKUIAOBDMLP-RBUKOAKNSA-N 2 0 349.523 1.564 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@]12CCOC2)c1ccccc1 ZINC000341962194 445097113 /nfs/dbraw/zinc/09/71/13/445097113.db2.gz HBUZAAGJFDURMB-MJGOQNOKSA-N 2 0 331.460 1.660 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000344679518 445123665 /nfs/dbraw/zinc/12/36/65/445123665.db2.gz PJWBCJAABAHHCY-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000339439345 445141337 /nfs/dbraw/zinc/14/13/37/445141337.db2.gz IDSIXARGNNYKSR-IBGZPJMESA-N 2 0 336.524 1.393 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C2CC2)[C@]2(CO)CCCO2)CC1 ZINC000339762699 445167810 /nfs/dbraw/zinc/16/78/10/445167810.db2.gz WJUCONIKPMEWQH-RBUKOAKNSA-N 2 0 339.524 1.312 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000343270867 445171188 /nfs/dbraw/zinc/17/11/88/445171188.db2.gz ARVKOVPCXQWPDB-MOPGFXCFSA-N 2 0 348.535 1.491 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000343216154 445143597 /nfs/dbraw/zinc/14/35/97/445143597.db2.gz DPKIOKLQPGFLPC-IBGZPJMESA-N 2 0 348.535 1.491 20 0 EDADRP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)NC[C@@H]3CCC[N@H+]3C)CC1)C2 ZINC000339548151 445149239 /nfs/dbraw/zinc/14/92/39/445149239.db2.gz IZUVNDWWRZKJLE-KTGAGVNESA-N 2 0 349.523 1.033 20 0 EDADRP CCC[C@@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[NH+](C)C ZINC000343338812 445204895 /nfs/dbraw/zinc/20/48/95/445204895.db2.gz LSBKICHSSHDAFL-SFHVURJKSA-N 3 0 347.507 1.440 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000345874443 445201130 /nfs/dbraw/zinc/20/11/30/445201130.db2.gz FYWFFQVPEIAMLJ-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CCCO1 ZINC000343551612 445242819 /nfs/dbraw/zinc/24/28/19/445242819.db2.gz KDTDVUNZNNWUEL-NUJGCVRESA-N 2 0 336.480 1.588 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](C)C[NH+]2CCCCCC2)[N@H+](C)C1 ZINC000347888119 445254108 /nfs/dbraw/zinc/25/41/08/445254108.db2.gz LZFNONVGBGEBGN-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000348324473 445256839 /nfs/dbraw/zinc/25/68/39/445256839.db2.gz XTSGQFRVXNOTKD-RCCFBDPRSA-N 2 0 327.513 1.170 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1C[C@@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000348126557 445282520 /nfs/dbraw/zinc/28/25/20/445282520.db2.gz JYOPTJCVHUPPRV-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000351808796 445328971 /nfs/dbraw/zinc/32/89/71/445328971.db2.gz LPSBFJLNQRSTCO-WBVHZDCISA-N 2 0 340.512 1.611 20 0 EDADRP Cc1ccc(NC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)c(C[NH+](C)C)c1 ZINC000354692253 445342543 /nfs/dbraw/zinc/34/25/43/445342543.db2.gz MXMDSOMYVOLMDP-INIZCTEOSA-N 2 0 332.448 1.253 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351861403 445346234 /nfs/dbraw/zinc/34/62/34/445346234.db2.gz LDGNPSUWZMKNQC-GVDBMIGSSA-N 2 0 330.476 1.393 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)C2=O)cn1 ZINC000357070300 445406714 /nfs/dbraw/zinc/40/67/14/445406714.db2.gz GCUOHVCYTYFMEU-WBVHZDCISA-N 2 0 331.464 1.237 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351933754 445384083 /nfs/dbraw/zinc/38/40/83/445384083.db2.gz DNGDOTDTCMCVSC-JTDSTZFVSA-N 2 0 345.487 1.468 20 0 EDADRP C[C@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C[C@H]1[NH+](C)C ZINC000362653586 445480097 /nfs/dbraw/zinc/48/00/97/445480097.db2.gz BQWCYWSXXMQYKQ-MAUKXSAKSA-N 2 0 348.491 1.719 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000348898990 445433008 /nfs/dbraw/zinc/43/30/08/445433008.db2.gz ZGLYJKSWSJURRV-KRWDZBQOSA-N 2 0 337.508 1.727 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC1 ZINC000362588782 445452270 /nfs/dbraw/zinc/45/22/70/445452270.db2.gz LRUABBWXEQKCQS-UHFFFAOYSA-N 2 0 344.381 1.740 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCO[C@H]2CC[N@H+](CC)C[C@H]21 ZINC000355354282 445456602 /nfs/dbraw/zinc/45/66/02/445456602.db2.gz RSTJNPQEFGAAAC-CVEARBPZSA-N 2 0 343.537 1.383 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1C[NH2+]C1 ZINC000357254790 445510179 /nfs/dbraw/zinc/51/01/79/445510179.db2.gz ZJMFVRIWNPBPLM-CQSZACIVSA-N 2 0 331.460 1.115 20 0 EDADRP O=C(N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357236967 445499206 /nfs/dbraw/zinc/49/92/06/445499206.db2.gz DOESCVVFWZSVGB-ZHALLVOQSA-N 2 0 335.492 1.337 20 0 EDADRP C[C@@](O)(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000362686456 445500091 /nfs/dbraw/zinc/50/00/91/445500091.db2.gz AAGWOWNPMBKALN-IBGZPJMESA-N 2 0 346.475 1.261 20 0 EDADRP Cc1cncc(/C=C/C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000362790780 445551113 /nfs/dbraw/zinc/55/11/13/445551113.db2.gz BULMGEABZLRDCC-REMYHPOOSA-N 2 0 328.460 1.688 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@@H+]1CCOC ZINC000360123116 445579697 /nfs/dbraw/zinc/57/96/97/445579697.db2.gz GDEIBVSGCRXLAN-SJORKVTESA-N 2 0 342.528 1.857 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000362771526 445541926 /nfs/dbraw/zinc/54/19/26/445541926.db2.gz YSDIRPKHCJGGOU-RDJZCZTQSA-N 2 0 333.480 1.004 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000360044428 445542812 /nfs/dbraw/zinc/54/28/12/445542812.db2.gz FLINGOLFBOAPHE-CABCVRRESA-N 2 0 336.480 1.704 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@]1([NH+](C)C)CCc2ccccc21 ZINC000362778470 445545605 /nfs/dbraw/zinc/54/56/05/445545605.db2.gz SIACODIBIMPHGB-JXFKEZNVSA-N 2 0 344.503 1.142 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353453450 445608745 /nfs/dbraw/zinc/60/87/45/445608745.db2.gz RJBGFXYODGLEQK-ZACQAIPSSA-N 2 0 325.497 1.580 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NCCCC[NH+]2CCCC2)CC1 ZINC000362920628 445610383 /nfs/dbraw/zinc/61/03/83/445610383.db2.gz PAFBVEYBLLBMAE-UHFFFAOYSA-N 2 0 340.512 1.616 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353501256 445631085 /nfs/dbraw/zinc/63/10/85/445631085.db2.gz YTCCLVSACXOERR-MHORFTMASA-N 2 0 336.524 1.392 20 0 EDADRP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000349647172 445634239 /nfs/dbraw/zinc/63/42/39/445634239.db2.gz WDLJTTWIDZHRNF-HOTGVXAUSA-N 2 0 340.512 1.253 20 0 EDADRP CCNC(=O)C1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC1 ZINC000362988536 445640224 /nfs/dbraw/zinc/64/02/24/445640224.db2.gz DFZMLMLPAFAPPH-UHFFFAOYSA-N 2 0 327.432 1.972 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000358588285 445663001 /nfs/dbraw/zinc/66/30/01/445663001.db2.gz GYVZTSJKWLDYBT-KRWDZBQOSA-N 2 0 341.544 1.386 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000363059686 445664479 /nfs/dbraw/zinc/66/44/79/445664479.db2.gz JWQAURSEWORVFY-UXBLZVDNSA-N 2 0 344.459 1.521 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000358630908 445685703 /nfs/dbraw/zinc/68/57/03/445685703.db2.gz BHHZFDAJHGJIEU-UHFFFAOYSA-N 2 0 345.491 1.807 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@H](C)[NH+]1C ZINC000358670473 445705083 /nfs/dbraw/zinc/70/50/83/445705083.db2.gz BPAQSEWDPKBIDF-IRXDYDNUSA-N 2 0 345.491 1.145 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N2CCc3c(ncn3C)C2)C1 ZINC000363179961 445710235 /nfs/dbraw/zinc/71/02/35/445710235.db2.gz UZIOXRLRXXKQNM-OAHLLOKOSA-N 2 0 333.480 2.000 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000358692866 445720824 /nfs/dbraw/zinc/72/08/24/445720824.db2.gz YQHSYORQGYBXCY-MRXNPFEDSA-N 2 0 338.521 1.794 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000349899635 445715849 /nfs/dbraw/zinc/71/58/49/445715849.db2.gz WLZBWPSBMLUEKR-IXDOHACOSA-N 2 0 325.497 1.819 20 0 EDADRP CSC1(CNC(=O)N2CC[N@H+](C)CC[C@@H]2C)CC[NH+](C)CC1 ZINC000360691211 445722786 /nfs/dbraw/zinc/72/27/86/445722786.db2.gz HQFGOQWZFDLNHC-AWEZNQCLSA-N 2 0 328.526 1.549 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CC(=O)N2CCOCC2)CC1)CC(C)C ZINC000358752635 445757676 /nfs/dbraw/zinc/75/76/76/445757676.db2.gz QFFOSWYYXXZPLF-UHFFFAOYSA-N 2 0 339.524 1.925 20 0 EDADRP OCC[NH+]1CCC(C[NH2+][C@@H](c2ccccc2)c2ccncn2)CC1 ZINC000358753753 445758376 /nfs/dbraw/zinc/75/83/76/445758376.db2.gz QQDPARNXMWHMGZ-IBGZPJMESA-N 2 0 326.444 1.860 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000353802964 445762582 /nfs/dbraw/zinc/76/25/82/445762582.db2.gz OEQCGCSYHOUYII-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)nc2)CC1 ZINC000363316654 445763475 /nfs/dbraw/zinc/76/34/75/445763475.db2.gz NTJVYSXWWHFIKG-HZPDHXFCSA-N 2 0 343.475 1.646 20 0 EDADRP CC(C)N(C)C(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000356468796 445807210 /nfs/dbraw/zinc/80/72/10/445807210.db2.gz CPLYBDKVLKNFIT-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@H]1C[C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[NH2+]1 ZINC000358849433 445808903 /nfs/dbraw/zinc/80/89/03/445808903.db2.gz CMWKPSOQPYZMGP-GOEBONIOSA-N 2 0 331.460 1.970 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1 ZINC000356519910 445837325 /nfs/dbraw/zinc/83/73/25/445837325.db2.gz HIVFIFVGFZTFJI-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350625126 445861208 /nfs/dbraw/zinc/86/12/08/445861208.db2.gz FIGCNBAHUNXSBQ-HNNXBMFYSA-N 2 0 342.528 1.268 20 0 EDADRP C[C@H]1C[NH+](CCCNc2ccnc(N3CCCCC3)n2)C[C@H](C)O1 ZINC000354075594 445888485 /nfs/dbraw/zinc/88/84/85/445888485.db2.gz MMVIZGXIDYLUKA-HOTGVXAUSA-N 2 0 333.480 2.378 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1Cl ZINC000361723208 445899213 /nfs/dbraw/zinc/89/92/13/445899213.db2.gz MJJPFTLNHLLHOH-HNNXBMFYSA-N 2 0 329.803 1.921 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC(OCCC[NH+](C)C)CC2)CC1 ZINC000361747547 445913020 /nfs/dbraw/zinc/91/30/20/445913020.db2.gz BYBDCTWVUDZNKL-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP OC1(C[NH+]2CCOCC2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000372907075 445913742 /nfs/dbraw/zinc/91/37/42/445913742.db2.gz VWDUVTCNCZXBJN-UHFFFAOYSA-N 2 0 325.497 1.022 20 0 EDADRP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000372908279 445915621 /nfs/dbraw/zinc/91/56/21/445915621.db2.gz SQOZZLMMHVMFGR-RYQLBKOJSA-N 2 0 331.460 1.659 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+](C)CCOC)C[C@@H]1C ZINC000361752349 445917002 /nfs/dbraw/zinc/91/70/02/445917002.db2.gz WVYBTOSCGHTQGK-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000359214352 446043693 /nfs/dbraw/zinc/04/36/93/446043693.db2.gz AGXPPFSZEVQMJK-WBVHZDCISA-N 2 0 334.439 1.964 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000583082210 325995939 /nfs/dbraw/zinc/99/59/39/325995939.db2.gz KOIVULHZSFXJJC-JCYILVPMSA-N 2 0 337.439 1.831 20 0 EDADRP CO[C@H]1CCN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)[C@@H](C[NH3+])C1 ZINC000359219289 446049995 /nfs/dbraw/zinc/04/99/95/446049995.db2.gz PLLSKHUXXCCMNQ-MSOLQXFVSA-N 2 0 340.427 1.825 20 0 EDADRP COc1cc(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000583500064 326085020 /nfs/dbraw/zinc/08/50/20/326085020.db2.gz LCQCHSRHQVKUAR-CABCVRRESA-N 2 0 349.475 1.912 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)c1 ZINC000583555173 326094926 /nfs/dbraw/zinc/09/49/26/326094926.db2.gz HFYXWLVEAMFYRZ-ICSRJNTNSA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359236280 446067607 /nfs/dbraw/zinc/06/76/07/446067607.db2.gz ONXKLQNUQKZSTE-MRXNPFEDSA-N 2 0 331.464 1.392 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@]3(CC[NH+](C)C3)C2)C1 ZINC000366269992 446119119 /nfs/dbraw/zinc/11/91/19/446119119.db2.gz VRJWDWPJZBHGRX-AEFFLSMTSA-N 2 0 338.496 1.080 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@H]([NH3+])c1ccccc1 ZINC000366344483 446164911 /nfs/dbraw/zinc/16/49/11/446164911.db2.gz FQXQGJGTTCKCSI-KANFNMMFSA-N 2 0 345.487 1.940 20 0 EDADRP CCNC(=O)NC(=O)[C@@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000366378719 446181111 /nfs/dbraw/zinc/18/11/11/446181111.db2.gz SAKWSGQBIYPMSC-OIISXLGYSA-N 2 0 344.459 1.284 20 0 EDADRP C[NH+]1C[C@@H]2CN(C(=O)[C@@H]3C[N@@H+](C(C)(C)C)C[C@H]3C(F)(F)F)C[C@H]2C1 ZINC000351590799 446188173 /nfs/dbraw/zinc/18/81/73/446188173.db2.gz ZBEWYTRGTRJTOI-AAVRWANBSA-N 2 0 347.425 1.915 20 0 EDADRP CC[C@H](O)CN1CCN(C(=O)NC[C@@H]2CCCn3cc(C)nc32)CC1 ZINC000373288291 446145258 /nfs/dbraw/zinc/14/52/58/446145258.db2.gz YJHHSTIGJXLZOI-HOTGVXAUSA-N 2 0 349.479 1.167 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C[NH2+]CC3CC3)[C@H](C)C2)s1 ZINC000366319542 446148177 /nfs/dbraw/zinc/14/81/77/446148177.db2.gz CDXRJCZSCNEMNU-MLGOLLRUSA-N 2 0 336.505 1.778 20 0 EDADRP CN(C(=O)[C@H]1C[C@H](O)C[NH2+]1)C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000365331606 446152437 /nfs/dbraw/zinc/15/24/37/446152437.db2.gz PAYLKLRCVMKXDQ-JKHFOPOESA-N 2 0 343.471 1.363 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000370280107 446212092 /nfs/dbraw/zinc/21/20/92/446212092.db2.gz DOJJCYJGUHUDKD-GOEBONIOSA-N 2 0 334.464 1.981 20 0 EDADRP C[C@H]1CCC[N@@H+]1C1CCN(S(=O)(=O)CC[NH+]2CCCC2)CC1 ZINC000366479345 446231400 /nfs/dbraw/zinc/23/14/00/446231400.db2.gz PYKAGTOUGAUILD-HNNXBMFYSA-N 2 0 329.510 1.361 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCCCC[NH+]2CCC[C@H]2CO)C1 ZINC000365602821 446269886 /nfs/dbraw/zinc/26/98/86/446269886.db2.gz OXPDMJDRBNSQOD-YJBOKZPZSA-N 2 0 343.487 1.552 20 0 EDADRP C[C@@H](C(=O)N1CCC[NH+](CC(C)(C)O)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000366687356 446310711 /nfs/dbraw/zinc/31/07/11/446310711.db2.gz MZCACOUVYNCXCN-XHSDSOJGSA-N 2 0 325.497 1.553 20 0 EDADRP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362319349 446317421 /nfs/dbraw/zinc/31/74/21/446317421.db2.gz PIMUJZIXIUREJJ-IXDOHACOSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)N(CC[NH+](C)C)Cc2ccccc2)C1 ZINC000366713980 446319920 /nfs/dbraw/zinc/31/99/20/446319920.db2.gz OEWSOSUNPVTSTM-GOSISDBHSA-N 2 0 333.476 1.686 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C)(C[NH3+])C2)[C@H](C)C1 ZINC000417669653 446369438 /nfs/dbraw/zinc/36/94/38/446369438.db2.gz MNWDEDAHVGSRTR-SOLBZPMBSA-N 2 0 340.512 1.504 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+]C(C)(C)C2)[C@@H](C)C1 ZINC000417670594 446369889 /nfs/dbraw/zinc/36/98/89/446369889.db2.gz OJUKUQJRKAZFGC-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[C@@H]1c1cccs1 ZINC000417731070 446371617 /nfs/dbraw/zinc/37/16/17/446371617.db2.gz FGTZJXVKQSBVSP-PNBKFKSVSA-N 2 0 348.516 1.992 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)NC2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000417832935 446374160 /nfs/dbraw/zinc/37/41/60/446374160.db2.gz IYIGNHVNQUTABS-ABHNRTSZSA-N 2 0 330.476 1.327 20 0 EDADRP CC(C)CN1CCO[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417841263 446375452 /nfs/dbraw/zinc/37/54/52/446375452.db2.gz LUBKNZYITVKQCM-KRWDZBQOSA-N 2 0 333.476 1.835 20 0 EDADRP COCC[N@H+](C)CCCN[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370669602 446379666 /nfs/dbraw/zinc/37/96/66/446379666.db2.gz NTRDDFRKZWUUPT-FGTMMUONSA-N 2 0 327.513 1.434 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000417926663 446388119 /nfs/dbraw/zinc/38/81/19/446388119.db2.gz DULJRKRJIGLSKL-PBHICJAKSA-N 2 0 333.480 1.890 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NC[C@H](O)C[NH+]2CCCCC2)C1 ZINC000365887016 446388248 /nfs/dbraw/zinc/38/82/48/446388248.db2.gz SNPYXASVVMWVKN-YOEHRIQHSA-N 2 0 329.460 1.162 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418187917 446452572 /nfs/dbraw/zinc/45/25/72/446452572.db2.gz FQXIOYHDHOWIQA-OAHLLOKOSA-N 2 0 349.479 1.211 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423142687 446437628 /nfs/dbraw/zinc/43/76/28/446437628.db2.gz BEZIRVTUYZAXBV-AAEUAGOBSA-N 2 0 328.254 1.589 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000366985533 446444272 /nfs/dbraw/zinc/44/42/72/446444272.db2.gz AJKUBXUTJWMWED-KURKYZTESA-N 2 0 329.444 1.098 20 0 EDADRP C[C@@H]1[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423193532 446450510 /nfs/dbraw/zinc/45/05/10/446450510.db2.gz WTCSVMVMHKQTSM-UYAOXDASSA-N 2 0 330.520 1.924 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)NC[C@H]1CCC[NH2+]C1 ZINC000417981811 446406428 /nfs/dbraw/zinc/40/64/28/446406428.db2.gz ANVDCYOAONQWHZ-MAUKXSAKSA-N 2 0 346.475 1.052 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)N3CCO[C@H]4CCCC[C@H]43)C2)CC1 ZINC000366907164 446406901 /nfs/dbraw/zinc/40/69/01/446406901.db2.gz AXDWNMJCRIFGJY-MSOLQXFVSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982870 446407137 /nfs/dbraw/zinc/40/71/37/446407137.db2.gz AVQYVABFDUUENJ-DSLXNQLJSA-N 2 0 342.487 1.758 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417985275 446408407 /nfs/dbraw/zinc/40/84/07/446408407.db2.gz HAWHVVNFWDFQTK-OAUYIBNBSA-N 2 0 332.448 1.619 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H](F)C[C@H]3C[NH2+]C)cc2)CC1 ZINC000366942760 446420544 /nfs/dbraw/zinc/42/05/44/446420544.db2.gz HFCXZPSWTITRHI-WMZOPIPTSA-N 2 0 348.466 1.601 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000418056963 446426696 /nfs/dbraw/zinc/42/66/96/446426696.db2.gz LKMJSTGTADVCSF-JWTNVVGKSA-N 2 0 330.476 1.873 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418190877 446454344 /nfs/dbraw/zinc/45/43/44/446454344.db2.gz KAGJUROGHLKRLV-ZBFHGGJFSA-N 2 0 349.479 1.339 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)C1 ZINC000420297474 446459397 /nfs/dbraw/zinc/45/93/97/446459397.db2.gz FYJKWSWUJKPUIL-KZNAEPCWSA-N 2 0 336.524 1.108 20 0 EDADRP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000420297022 446459966 /nfs/dbraw/zinc/45/99/66/446459966.db2.gz YCOHBXDNDSYOLX-OAHLLOKOSA-N 2 0 325.497 1.996 20 0 EDADRP c1cc(N[C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ncc1N1CC[NH2+]CC1 ZINC000423234549 446460930 /nfs/dbraw/zinc/46/09/30/446460930.db2.gz QAWGBPVNVJSOBR-BBWFWOEESA-N 2 0 331.464 1.060 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423248628 446464805 /nfs/dbraw/zinc/46/48/05/446464805.db2.gz NRDWIRWAYGNRAV-UONOGXRCSA-N 2 0 325.478 1.601 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC000367017953 446465038 /nfs/dbraw/zinc/46/50/38/446465038.db2.gz UDKJABGKCJHFJG-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000452781681 446468174 /nfs/dbraw/zinc/46/81/74/446468174.db2.gz JDEOPQYRIJONFR-SJORKVTESA-N 2 0 325.497 1.460 20 0 EDADRP CC(C)C(=O)N[C@@H]1CCCN(C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420307032 446470651 /nfs/dbraw/zinc/47/06/51/446470651.db2.gz QVUURSIYLRNLFP-SQNIBIBYSA-N 2 0 333.476 1.154 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])CCC2 ZINC000423277159 446471813 /nfs/dbraw/zinc/47/18/13/446471813.db2.gz NSMLZEDOWQXFLY-XKQJLSEDSA-N 2 0 337.489 1.819 20 0 EDADRP C[C@@H]1CCC[C@@H](NC(=O)CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000420315246 446480005 /nfs/dbraw/zinc/48/00/05/446480005.db2.gz KXIBLEBVUVASGG-FGTMMUONSA-N 2 0 336.524 1.299 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418191425 446453612 /nfs/dbraw/zinc/45/36/12/446453612.db2.gz KTFYBNJTFQRQHA-MRXNPFEDSA-N 2 0 349.479 1.353 20 0 EDADRP COCC1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000418289285 446486585 /nfs/dbraw/zinc/48/65/85/446486585.db2.gz JDVFERHHLOYIQO-OAHLLOKOSA-N 2 0 326.485 1.034 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423314038 446484844 /nfs/dbraw/zinc/48/48/44/446484844.db2.gz XXNJWYYMQUXHAD-OAHLLOKOSA-N 2 0 333.480 1.873 20 0 EDADRP CC[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000423326920 446489546 /nfs/dbraw/zinc/48/95/46/446489546.db2.gz MNVYITAVVRPXKW-AZUAARDMSA-N 2 0 345.487 1.566 20 0 EDADRP O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420323841 446489634 /nfs/dbraw/zinc/48/96/34/446489634.db2.gz UMIULVNJWNITJC-INIZCTEOSA-N 2 0 333.451 1.902 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323609 446489724 /nfs/dbraw/zinc/48/97/24/446489724.db2.gz GIILQHLHDNCPME-PEZLKRJXSA-N 2 0 337.508 1.898 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420325504 446491744 /nfs/dbraw/zinc/49/17/44/446491744.db2.gz IONHDIZWDFSJIL-IAGOWNOFSA-N 2 0 325.497 1.487 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)CC12CCOCC2 ZINC000420327211 446496031 /nfs/dbraw/zinc/49/60/31/446496031.db2.gz LASLEOJCCAKIBL-HNNXBMFYSA-N 2 0 335.492 1.607 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)COC2CC[NH2+]CC2)C1 ZINC000423367981 446503991 /nfs/dbraw/zinc/50/39/91/446503991.db2.gz RTVBUYKWUHNDSF-HUUCEWRRSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423370176 446505032 /nfs/dbraw/zinc/50/50/32/446505032.db2.gz UHPSMQNSIXQYMK-OAGGEKHMSA-N 2 0 347.507 1.737 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCC(=O)NCC2CCCCC2)CC12CCOCC2 ZINC000420334987 446505151 /nfs/dbraw/zinc/50/51/51/446505151.db2.gz UQLCQCKESLSUSH-QGZVFWFLSA-N 2 0 337.508 1.760 20 0 EDADRP COc1ccc(OC)c(NC(=O)[C@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420337364 446508472 /nfs/dbraw/zinc/50/84/72/446508472.db2.gz NCTGEHUJDMGWEM-SOUVJXGZSA-N 2 0 347.459 1.962 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000423388643 446514192 /nfs/dbraw/zinc/51/41/92/446514192.db2.gz UIOMNGCNCFJCAW-QAPCUYQASA-N 2 0 333.476 1.674 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418322748 446497459 /nfs/dbraw/zinc/49/74/59/446497459.db2.gz DBEMWSQLAHXOTK-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](CCCOCc3ccccc3)C2)nn1 ZINC000420389854 446564416 /nfs/dbraw/zinc/56/44/16/446564416.db2.gz YYZFZNKXFXIRRV-GOSISDBHSA-N 2 0 329.448 1.981 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418372183 446518433 /nfs/dbraw/zinc/51/84/33/446518433.db2.gz QPHBSJRUASAERK-XEZPLFJOSA-N 2 0 338.402 1.462 20 0 EDADRP CC(C)(C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000423420212 446527080 /nfs/dbraw/zinc/52/70/80/446527080.db2.gz AFMIZUYFVOUIRP-AEFFLSMTSA-N 2 0 345.487 1.893 20 0 EDADRP O=C(C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)N(Cc1ccccc1)C1CC1 ZINC000420350160 446527442 /nfs/dbraw/zinc/52/74/42/446527442.db2.gz RRHXJFFJGKSIFK-LJQANCHMSA-N 2 0 342.487 1.157 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423426657 446530650 /nfs/dbraw/zinc/53/06/50/446530650.db2.gz NFDRSTJCKUPFLB-SRHPJPHMSA-N 2 0 343.515 1.847 20 0 EDADRP CC[C@H](NC(=O)CC1(C[NH3+])CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000423432516 446534282 /nfs/dbraw/zinc/53/42/82/446534282.db2.gz ONCDKYCFCCCPAW-ROUUACIJSA-N 2 0 345.487 1.911 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418419146 446539007 /nfs/dbraw/zinc/53/90/07/446539007.db2.gz ZAGCSHSCCXKZPP-IAGOWNOFSA-N 3 0 341.544 1.417 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(Br)cc1)C[C@@H](O)C[NH3+] ZINC000420359792 446540054 /nfs/dbraw/zinc/54/00/54/446540054.db2.gz WCVQAIVLSMSGFU-LBPRGKRZSA-N 2 0 330.226 1.029 20 0 EDADRP Cn1c(CC[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)nc2ccccc21 ZINC000420392216 446567682 /nfs/dbraw/zinc/56/76/82/446567682.db2.gz UYTLZXKXLMBTBM-QAPCUYQASA-N 2 0 340.471 1.816 20 0 EDADRP [NH3+]C1(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)C2CC3CC(C2)CC1C3 ZINC000418459752 446551577 /nfs/dbraw/zinc/55/15/77/446551577.db2.gz YOFDALAYFCIXBR-RXHRMYBWSA-N 2 0 332.492 1.722 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418609738 446614263 /nfs/dbraw/zinc/61/42/63/446614263.db2.gz SRBOLCDNQZTBMC-YESZJQIVSA-N 2 0 339.528 1.184 20 0 EDADRP CCN(C(=O)NC[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418521288 446580103 /nfs/dbraw/zinc/58/01/03/446580103.db2.gz IGUYYTPPXCYPRG-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2COCCN2C2CCCC2)C[C@H]1c1ccccc1 ZINC000423604542 446599343 /nfs/dbraw/zinc/59/93/43/446599343.db2.gz GIPZUCPAEMQRLP-IPMKNSEASA-N 2 0 343.471 1.583 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418587861 446603451 /nfs/dbraw/zinc/60/34/51/446603451.db2.gz RITOQPNCEXPJQN-ZIFCJYIRSA-N 2 0 346.475 1.193 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H](C)C1 ZINC000418658140 446637009 /nfs/dbraw/zinc/63/70/09/446637009.db2.gz JCSBGXCWBJRSDI-CENPHQPOSA-N 2 0 334.508 1.746 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418674210 446644370 /nfs/dbraw/zinc/64/43/70/446644370.db2.gz PXLYHYWEAUWACC-PIIMJCKOSA-N 2 0 330.476 1.410 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000418681758 446647029 /nfs/dbraw/zinc/64/70/29/446647029.db2.gz ZCJNAGXRKKDLEU-CQSZACIVSA-N 2 0 335.452 1.439 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000418698571 446652902 /nfs/dbraw/zinc/65/29/02/446652902.db2.gz ODDWENKPMKTZFX-IRXDYDNUSA-N 2 0 339.528 1.315 20 0 EDADRP O=C(N1CC[NH+](C2CCCCC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000423717385 446656617 /nfs/dbraw/zinc/65/66/17/446656617.db2.gz ZWFMAJIDIMCYFP-UHFFFAOYSA-N 2 0 345.491 1.439 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)F)CC[N@@H+]1CCOC ZINC000418732760 446659726 /nfs/dbraw/zinc/65/97/26/446659726.db2.gz JYRJAXMFVZSTTC-QWHCGFSZSA-N 2 0 336.427 1.111 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418758650 446677355 /nfs/dbraw/zinc/67/73/55/446677355.db2.gz FPAGKBZFQZIEEG-CVEARBPZSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000423734515 446668608 /nfs/dbraw/zinc/66/86/08/446668608.db2.gz WAHJZEBDXTVNPZ-QXSJWSMHSA-N 2 0 345.491 1.964 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc4oc(=O)[nH]c4c3)C2)CC1 ZINC000376711664 446668614 /nfs/dbraw/zinc/66/86/14/446668614.db2.gz NRWSFDDHJHXBFC-CYBMUJFWSA-N 2 0 344.415 1.432 20 0 EDADRP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000368148138 446669966 /nfs/dbraw/zinc/66/99/66/446669966.db2.gz JRIRIPJGKWVGMI-CRAIPNDOSA-N 2 0 342.503 1.199 20 0 EDADRP COCCCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371175523 446673461 /nfs/dbraw/zinc/67/34/61/446673461.db2.gz HCQZKTZBTNJTOT-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418629625 446621661 /nfs/dbraw/zinc/62/16/61/446621661.db2.gz DKRNNVNDISVUPV-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](N3CCOCC3)[C@H]2C)CC1 ZINC000368060673 446624401 /nfs/dbraw/zinc/62/44/01/446624401.db2.gz VFHBNHDDBAEJNH-RTBURBONSA-N 2 0 338.540 1.198 20 0 EDADRP COC[C@]1(CNC(=O)N(CCC[NH3+])Cc2ccccc2)CCC[NH2+]1 ZINC000418633983 446624831 /nfs/dbraw/zinc/62/48/31/446624831.db2.gz IVMGQYPCYZJMLT-GOSISDBHSA-N 2 0 334.464 1.316 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418645018 446629913 /nfs/dbraw/zinc/62/99/13/446629913.db2.gz QZKKBCGIQUCTIX-OAHLLOKOSA-N 2 0 340.512 1.299 20 0 EDADRP CN(C(=O)NC[C@H]1[NH2+]CCc2ccccc21)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418645833 446630705 /nfs/dbraw/zinc/63/07/05/446630705.db2.gz WPBDSUVFXLZTEH-SJLPKXTDSA-N 2 0 328.460 1.752 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000418650893 446633557 /nfs/dbraw/zinc/63/35/57/446633557.db2.gz KYWOQFFOYWTWHV-MRXNPFEDSA-N 2 0 334.464 1.005 20 0 EDADRP C[N@H+](CCC(=O)N1CCN(c2ccccn2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000435627375 446704111 /nfs/dbraw/zinc/70/41/11/446704111.db2.gz RBENMHRJAXWJNH-QGZVFWFLSA-N 2 0 345.491 1.194 20 0 EDADRP CC[NH+](CC)CCCN1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375335867 446729051 /nfs/dbraw/zinc/72/90/51/446729051.db2.gz GOHFXNIYHOAIFY-UHFFFAOYSA-N 2 0 326.529 1.058 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H]1COCCN1CC1CCC1 ZINC000376811524 446733849 /nfs/dbraw/zinc/73/38/49/446733849.db2.gz JUOQKRRFETWWTH-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758969 446679052 /nfs/dbraw/zinc/67/90/52/446679052.db2.gz KAJIKGBQDWDEOW-AEGPPILISA-N 2 0 342.434 1.642 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000423894654 446748170 /nfs/dbraw/zinc/74/81/70/446748170.db2.gz LZLJIVABABWLNE-SJLPKXTDSA-N 2 0 331.460 1.948 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1(C)C ZINC000423903623 446754587 /nfs/dbraw/zinc/75/45/87/446754587.db2.gz NFKTVBRMDYCTPD-MCNSXXNHSA-N 2 0 349.519 1.994 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000418861848 446758059 /nfs/dbraw/zinc/75/80/59/446758059.db2.gz NQVDAWBMKMYOGN-DLBZAZTESA-N 2 0 346.475 1.039 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000418873703 446765520 /nfs/dbraw/zinc/76/55/20/446765520.db2.gz YJKBNYGEVFNJFT-HNNXBMFYSA-N 2 0 340.512 1.119 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CCOCC1 ZINC000375398901 446773893 /nfs/dbraw/zinc/77/38/93/446773893.db2.gz BAMIRNYCIJSCKB-SFHVURJKSA-N 2 0 345.487 1.565 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000418899054 446782090 /nfs/dbraw/zinc/78/20/90/446782090.db2.gz BKHLVLKDIIOGAH-IKGGRYGDSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@H](c1cccnc1)N1C(=O)C[C@@H](N2CC[C@]3(CC[N@H+](C)C3)C2)C1=O ZINC000368323358 446786104 /nfs/dbraw/zinc/78/61/04/446786104.db2.gz YRMJVWNPEUBSHS-OGWOLHLISA-N 2 0 342.443 1.298 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](O)COC(C)(C)C)CC2)CC1 ZINC000371341833 446790666 /nfs/dbraw/zinc/79/06/66/446790666.db2.gz ROCFGZHYZFZBQI-SFHVURJKSA-N 2 0 341.540 1.653 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1c1cccc(F)c1 ZINC000424005466 446818130 /nfs/dbraw/zinc/81/81/30/446818130.db2.gz AFEINQITAHKKSG-ZWKOTPCHSA-N 2 0 331.435 1.953 20 0 EDADRP C[NH2+]CCCN(C)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000424015814 446823686 /nfs/dbraw/zinc/82/36/86/446823686.db2.gz APRQCMQVVOIFJI-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000368400527 446839549 /nfs/dbraw/zinc/83/95/49/446839549.db2.gz TZROJOWKOYVFCE-ALOPSCKCSA-N 2 0 329.444 1.179 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CCOCC1 ZINC000438881033 446801917 /nfs/dbraw/zinc/80/19/17/446801917.db2.gz DFFHDSQGLACRSI-INIZCTEOSA-N 2 0 344.459 1.265 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)Nc2ccccc2CN2CCOCC2)C1 ZINC000368448760 446868448 /nfs/dbraw/zinc/86/84/48/446868448.db2.gz DWRYWTUQHLSQGZ-SFHVURJKSA-N 2 0 347.459 1.567 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000424451689 446873377 /nfs/dbraw/zinc/87/33/77/446873377.db2.gz CGSVGNZHRBWCFB-OAHLLOKOSA-N 2 0 346.475 1.773 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419047009 446884113 /nfs/dbraw/zinc/88/41/13/446884113.db2.gz RALMZAKPAXBFOI-HYVNUMGLSA-N 2 0 346.475 1.038 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000419080381 446911005 /nfs/dbraw/zinc/91/10/05/446911005.db2.gz PEAOUIRCXUKSFI-HZPDHXFCSA-N 2 0 340.512 1.199 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N(C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000371522671 446911564 /nfs/dbraw/zinc/91/15/64/446911564.db2.gz CSHXRMSSKKSVJB-UHFFFAOYSA-N 2 0 349.479 1.270 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1 ZINC000419105931 446926391 /nfs/dbraw/zinc/92/63/91/446926391.db2.gz IZQUJNVGPRBKGD-HNNXBMFYSA-N 2 0 348.491 1.257 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CC(C)C ZINC000419124334 446937425 /nfs/dbraw/zinc/93/74/25/446937425.db2.gz HYNFKMOLJAHDBT-OAGGEKHMSA-N 2 0 340.512 1.055 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000419132023 446941900 /nfs/dbraw/zinc/94/19/00/446941900.db2.gz DHONJXZQYDDHPY-HNNXBMFYSA-N 2 0 340.512 1.104 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000368570361 446949092 /nfs/dbraw/zinc/94/90/92/446949092.db2.gz SULJWHFFASEJSC-UONOGXRCSA-N 2 0 333.436 1.501 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442761907 446955550 /nfs/dbraw/zinc/95/55/50/446955550.db2.gz DGPSGJOIOWPKSK-PMPSAXMXSA-N 2 0 348.466 1.532 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442761901 446955802 /nfs/dbraw/zinc/95/58/02/446955802.db2.gz DGPSGJOIOWPKSK-BZUAXINKSA-N 2 0 348.466 1.532 20 0 EDADRP C[NH+]1CCC(CC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000371817208 446967864 /nfs/dbraw/zinc/96/78/64/446967864.db2.gz UYCUKWYGFLCIJV-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP CO[C@@H]1[C@H]2C[C@H]3C[N@H+](CC(=O)NC4CC[NH+](C(C)C)CC4)[C@H]1[C@H]3C2 ZINC000375741152 447014721 /nfs/dbraw/zinc/01/47/21/447014721.db2.gz CNZPTGATTULWON-NZMUHZMNSA-N 2 0 335.492 1.331 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)[NH+]2CCc3ccccc3C2)C1 ZINC000413126570 447019077 /nfs/dbraw/zinc/01/90/77/447019077.db2.gz HWQCSSWWBOZWKW-MAUKXSAKSA-N 2 0 330.476 1.827 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000419179613 446994297 /nfs/dbraw/zinc/99/42/97/446994297.db2.gz IRHCFOAJXOHTTB-INIZCTEOSA-N 2 0 338.496 1.016 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368711204 447058801 /nfs/dbraw/zinc/05/88/01/447058801.db2.gz BXQQLJHLGDWPGA-MRXNPFEDSA-N 2 0 327.432 1.409 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1CC1 ZINC000377322544 447064080 /nfs/dbraw/zinc/06/40/80/447064080.db2.gz PXTKFSLTQDYVOJ-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[N@H+](C[C@H](O)COc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829254 447086216 /nfs/dbraw/zinc/08/62/16/447086216.db2.gz FSRUGZJDPYIOFK-MOPGFXCFSA-N 2 0 347.503 1.527 20 0 EDADRP O=C(C[NH+]1CCCCCC1)Nc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000444171879 447086909 /nfs/dbraw/zinc/08/69/09/447086909.db2.gz QILJVCMGAQZGGI-MRXNPFEDSA-N 2 0 330.432 1.802 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908010 447138871 /nfs/dbraw/zinc/13/88/71/447138871.db2.gz UOERXOOSOWJVQB-QGZVFWFLSA-N 2 0 325.497 1.820 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000419412638 447159787 /nfs/dbraw/zinc/15/97/87/447159787.db2.gz RBXFDQJEFQAJJR-OAHLLOKOSA-N 2 0 340.512 1.247 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000419415994 447162136 /nfs/dbraw/zinc/16/21/36/447162136.db2.gz VPDFRLGTRAXHPL-HNNXBMFYSA-N 2 0 346.475 1.171 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000375942332 447165265 /nfs/dbraw/zinc/16/52/65/447165265.db2.gz PEYATOSIKFHEGP-JZXOWHBKSA-N 2 0 328.497 1.595 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419444109 447180270 /nfs/dbraw/zinc/18/02/70/447180270.db2.gz SQEIBTBOVSWDDD-ARFHVFGLSA-N 2 0 328.501 1.059 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000455645138 447194487 /nfs/dbraw/zinc/19/44/87/447194487.db2.gz GXBAKDMRPAVKLQ-UHFFFAOYSA-N 2 0 336.484 1.784 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000377560114 447205411 /nfs/dbraw/zinc/20/54/11/447205411.db2.gz DBHODWKGLMIEJD-INIZCTEOSA-N 2 0 339.480 1.237 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000419474568 447206618 /nfs/dbraw/zinc/20/66/18/447206618.db2.gz CJTTWRVUONROCW-PMPSAXMXSA-N 2 0 338.496 1.001 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3ccn([C@H]4CCC[NH2+]C4)n3)sc2C1 ZINC000377567161 447210237 /nfs/dbraw/zinc/21/02/37/447210237.db2.gz YWHQKFFQXKMQBA-QWRGUYRKSA-N 2 0 346.460 1.332 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)cc1 ZINC000425633293 447248987 /nfs/dbraw/zinc/24/89/87/447248987.db2.gz ATDUHEGOWCUAAY-ZWKOTPCHSA-N 2 0 330.476 1.984 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000425559313 447230732 /nfs/dbraw/zinc/23/07/32/447230732.db2.gz GPGKWVJREYZKAU-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376048751 447235008 /nfs/dbraw/zinc/23/50/08/447235008.db2.gz UENOBLJUENFFOO-HNNXBMFYSA-N 2 0 348.495 1.955 20 0 EDADRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369020830 447267860 /nfs/dbraw/zinc/26/78/60/447267860.db2.gz CNTPAGARBFUJQM-WBVHZDCISA-N 2 0 346.475 1.810 20 0 EDADRP O[C@@H](CNC[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000382408029 447462743 /nfs/dbraw/zinc/46/27/43/447462743.db2.gz BZAJOJMVENLKFH-UXHICEINSA-N 2 0 331.504 1.945 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC1CC([NH+]2CCCCC2)C1 ZINC000458729146 447464912 /nfs/dbraw/zinc/46/49/12/447464912.db2.gz GRZJYTDWPKMDEK-AQFXKWCLSA-N 2 0 338.496 1.149 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H](C)C[NH2+]C)c2)CC1 ZINC000415499386 447482572 /nfs/dbraw/zinc/48/25/72/447482572.db2.gz OOYCUOKTBHNQSF-OAHLLOKOSA-N 2 0 333.480 1.806 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415516352 447492112 /nfs/dbraw/zinc/49/21/12/447492112.db2.gz FUTYJJNMRGSUID-PBFPGSCMSA-N 2 0 344.459 1.370 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000391026399 447510195 /nfs/dbraw/zinc/51/01/95/447510195.db2.gz SJFIXODMLUXMRZ-PKOBYXMFSA-N 2 0 344.503 1.309 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)[C@@H](C)c3ccccc3)C2)CC1 ZINC000450388771 447474427 /nfs/dbraw/zinc/47/44/27/447474427.db2.gz JNTDBYXWVLVKOO-SXLOBPIMSA-N 2 0 331.504 1.863 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416206662 447536864 /nfs/dbraw/zinc/53/68/64/447536864.db2.gz BFNRVBZFBNUICG-VQIMIIECSA-N 2 0 347.503 1.983 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000416209808 447538636 /nfs/dbraw/zinc/53/86/36/447538636.db2.gz MSXFKWPHMLQLPR-BQFCYCMXSA-N 2 0 333.476 1.593 20 0 EDADRP O=C(CC[NH+]1CCc2ccccc2C1)NC[C@H]1CCCC[N@H+]1CCO ZINC000416245373 447546949 /nfs/dbraw/zinc/54/69/49/447546949.db2.gz YAZTUSKQXRMKDU-LJQANCHMSA-N 2 0 345.487 1.398 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427156242 447554543 /nfs/dbraw/zinc/55/45/43/447554543.db2.gz XIUFALCFSYKNJW-ROUUACIJSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192198 447556218 /nfs/dbraw/zinc/55/62/18/447556218.db2.gz ZULCNDDGHVFCLA-DOTOQJQBSA-N 2 0 331.460 1.392 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000427269399 447571423 /nfs/dbraw/zinc/57/14/23/447571423.db2.gz JOUWAKSLBJRNEW-GOSISDBHSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400431269 447573742 /nfs/dbraw/zinc/57/37/42/447573742.db2.gz JWPDEZNERQDNRB-LSDHHAIUSA-N 2 0 329.485 1.942 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000457636017 447605345 /nfs/dbraw/zinc/60/53/45/447605345.db2.gz JQSNWFGZWGACPR-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1)C(C)C ZINC000420143090 447632299 /nfs/dbraw/zinc/63/22/99/447632299.db2.gz ZYYWWLYECPBZFN-AWEZNQCLSA-N 2 0 334.464 1.169 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000416813201 447691349 /nfs/dbraw/zinc/69/13/49/447691349.db2.gz FMKSGLNHOAUHAX-OWCLPIDISA-N 2 0 332.448 1.952 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC(C)(C)C[NH3+])[NH+]1CCCC1 ZINC000416828300 447693604 /nfs/dbraw/zinc/69/36/04/447693604.db2.gz DOXYZEIJOFVYGA-OAHLLOKOSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416850603 447696090 /nfs/dbraw/zinc/69/60/90/447696090.db2.gz KEEZEWNBBSYCKR-YJBOKZPZSA-N 2 0 348.491 1.987 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]1CCCC1 ZINC000416851786 447696688 /nfs/dbraw/zinc/69/66/88/447696688.db2.gz RMOBHSSJCOFENP-GDBMZVCRSA-N 2 0 334.464 1.869 20 0 EDADRP CCN(C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1COC1 ZINC000458110729 447720572 /nfs/dbraw/zinc/72/05/72/447720572.db2.gz SHJDPFGSHXAJPS-UHFFFAOYSA-N 2 0 347.463 1.024 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H](C)O1 ZINC000416950447 447723721 /nfs/dbraw/zinc/72/37/21/447723721.db2.gz RFUVNBKZHMRBLX-INMHGKMJSA-N 2 0 326.485 1.175 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422711495 447724327 /nfs/dbraw/zinc/72/43/27/447724327.db2.gz NFBIPWGIGQWUKI-VQIMIIECSA-N 2 0 345.487 1.994 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000416953189 447725258 /nfs/dbraw/zinc/72/52/58/447725258.db2.gz TXBODGNUWGHKAP-OWCLPIDISA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1 ZINC000422714672 447725818 /nfs/dbraw/zinc/72/58/18/447725818.db2.gz RILHIEXXHBDDRC-YJBOKZPZSA-N 2 0 331.460 1.604 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@@H]3CC[NH+](C)[C@@H]3C2)c1 ZINC000458146753 447727734 /nfs/dbraw/zinc/72/77/34/447727734.db2.gz NVEGQJIIGSQWNG-ZWKOTPCHSA-N 2 0 330.476 1.984 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000458289124 447762328 /nfs/dbraw/zinc/76/23/28/447762328.db2.gz LTBYFPBZEDEBOG-HNNXBMFYSA-N 2 0 339.528 1.184 20 0 EDADRP NC(=O)NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471853165 447815297 /nfs/dbraw/zinc/81/52/97/447815297.db2.gz YZCJHZKIFSEGMA-HOTGVXAUSA-N 2 0 332.448 1.244 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cnccc1N ZINC000422847064 447767259 /nfs/dbraw/zinc/76/72/59/447767259.db2.gz QYTBXAHROGHWQP-INIZCTEOSA-N 2 0 340.475 1.752 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCCc2nccs2)CC[NH2+]CC1 ZINC000422914755 447771092 /nfs/dbraw/zinc/77/10/92/447771092.db2.gz VVINMSBWRMTABL-ZDUSSCGKSA-N 2 0 325.478 1.987 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]CCS(=O)(=O)c1ccc(Cl)cc1 ZINC000422944156 447777741 /nfs/dbraw/zinc/77/77/41/447777741.db2.gz ZGXIVTOZUHNFIN-OCCSQVGLSA-N 2 0 346.880 1.470 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(OC)c(O)c2)CC[NH2+]CC1 ZINC000422975683 447785291 /nfs/dbraw/zinc/78/52/91/447785291.db2.gz UABMMXYGGSLBPQ-ZDUSSCGKSA-N 2 0 336.432 1.812 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000422973950 447785563 /nfs/dbraw/zinc/78/55/63/447785563.db2.gz CZNUMNMQQNYHPV-FHWLQOOXSA-N 2 0 335.492 1.213 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2cccc(OC)c2)CC1 ZINC000451982875 447796077 /nfs/dbraw/zinc/79/60/77/447796077.db2.gz KFYFCTJXYAZPFI-UHFFFAOYSA-N 2 0 348.491 1.639 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000451984379 447796854 /nfs/dbraw/zinc/79/68/54/447796854.db2.gz KXZSNBAKMLLXEG-IAGOWNOFSA-N 2 0 338.540 1.687 20 0 EDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nnnn1-c1ccccc1 ZINC000423116933 447808569 /nfs/dbraw/zinc/80/85/69/447808569.db2.gz SCUVSVPXRJQNSX-QAPCUYQASA-N 2 0 336.443 1.753 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2(O)CCCC2)CC1 ZINC000487491327 447833793 /nfs/dbraw/zinc/83/37/93/447833793.db2.gz ZXUTXDLTJKPZIM-UHFFFAOYSA-N 2 0 339.524 1.708 20 0 EDADRP CC(C)(C)OC(=O)NCC1(C[NH2+][C@H]2CCCN(CCCO)C2)CC1 ZINC000496568175 447822678 /nfs/dbraw/zinc/82/26/78/447822678.db2.gz HJQXZQFZJCZPMO-HNNXBMFYSA-N 2 0 341.496 1.728 20 0 EDADRP CC(C)(C)OC(=O)NC1CC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000496578977 447825391 /nfs/dbraw/zinc/82/53/91/447825391.db2.gz XKZXIHURILTUOM-GPANFISMSA-N 2 0 341.496 1.869 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000522999116 447867657 /nfs/dbraw/zinc/86/76/57/447867657.db2.gz VJMFBOZZQORLQQ-GDBMZVCRSA-N 2 0 336.480 1.023 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000489775077 447872688 /nfs/dbraw/zinc/87/26/88/447872688.db2.gz JHFRFWUVVSWBHY-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1ccc(-c2nc(CNC(=O)N3CCN(C)C[C@H]3C[NH3+])co2)cc1 ZINC000575733681 447883340 /nfs/dbraw/zinc/88/33/40/447883340.db2.gz QXODXDKISWQJMF-MRXNPFEDSA-N 2 0 343.431 1.434 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000530539714 447909919 /nfs/dbraw/zinc/90/99/19/447909919.db2.gz SBRYBLIFAOXHPF-OAHLLOKOSA-N 2 0 349.523 1.590 20 0 EDADRP CN(C[C@H](O)C[NH2+]CC[C@@H]1CCC[N@H+](C)C1)C(=O)OC(C)(C)C ZINC000496847340 447964787 /nfs/dbraw/zinc/96/47/87/447964787.db2.gz OFUIBIOVSTXRNQ-LSDHHAIUSA-N 2 0 329.485 1.536 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)CC[C@@H]([NH3+])c3ccccc3)C2)nn1 ZINC000570330733 447987903 /nfs/dbraw/zinc/98/79/03/447987903.db2.gz JJKBQMMIIKSYNW-IAGOWNOFSA-N 2 0 342.447 1.381 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[NH+]3CCCCCC3)n2)CC1 ZINC000491363864 448005316 /nfs/dbraw/zinc/00/53/16/448005316.db2.gz YQHJDLSKQHDOLL-UHFFFAOYSA-N 2 0 348.495 2.147 20 0 EDADRP C[NH+](C)CC1CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497252162 448006468 /nfs/dbraw/zinc/00/64/68/448006468.db2.gz LZVHJRKWJFKXBO-QGZVFWFLSA-N 2 0 329.485 1.536 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531049462 448007363 /nfs/dbraw/zinc/00/73/63/448007363.db2.gz FUVQHNJAMWKIKN-IBGZPJMESA-N 2 0 333.476 1.470 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000553006847 447967089 /nfs/dbraw/zinc/96/70/89/447967089.db2.gz WGRBTAVLCZLWFR-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@H]1C[C@@H]([N@H+](C)CCOCCNC(=O)OC(C)(C)C)CCN1C ZINC000497216974 447970303 /nfs/dbraw/zinc/97/03/03/447970303.db2.gz YHIHZENSBCKRBR-GJZGRUSLSA-N 2 0 329.485 1.942 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497263152 448017990 /nfs/dbraw/zinc/01/79/90/448017990.db2.gz JTPLOZAHJHMWAG-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1cnn(C)c1 ZINC000531402375 448078281 /nfs/dbraw/zinc/07/82/81/448078281.db2.gz NIUNGNSFQIKCIU-DOTOQJQBSA-N 2 0 335.496 1.398 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)[C@H]3CCC[N@H+](Cc4cccnc4)C3)C[C@H]21 ZINC000576582887 448089667 /nfs/dbraw/zinc/08/96/67/448089667.db2.gz MDDLHJJMZXMSGL-FCGDIQPGSA-N 2 0 342.487 1.879 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)[NH+](C)C1 ZINC000501768962 448097192 /nfs/dbraw/zinc/09/71/92/448097192.db2.gz FZPUZFPTSQCTQE-VGWMRTNUSA-N 2 0 326.485 1.076 20 0 EDADRP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000571065614 448104414 /nfs/dbraw/zinc/10/44/14/448104414.db2.gz LODWJKBEIJEUDD-PBHICJAKSA-N 2 0 348.495 1.553 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\C1CCOCC1 ZINC000491882837 448142597 /nfs/dbraw/zinc/14/25/97/448142597.db2.gz KOQFVRMUHRKREN-ZEVQVBBLSA-N 2 0 337.508 1.844 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000571395064 448145953 /nfs/dbraw/zinc/14/59/53/448145953.db2.gz SPWWESVYWUIZGI-OAGGEKHMSA-N 2 0 343.479 1.590 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531964814 448176542 /nfs/dbraw/zinc/17/65/42/448176542.db2.gz OXAKAPLAKPMGDI-HNJNHCNJSA-N 2 0 330.432 1.171 20 0 EDADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@H](C(F)(F)F)C2)[C@H](C[NH3+])C1 ZINC000514662759 448181330 /nfs/dbraw/zinc/18/13/30/448181330.db2.gz AZTAXJOLEOMBOF-FRRDWIJNSA-N 2 0 336.402 1.639 20 0 EDADRP CN1CCN(C(=O)NC[C@@H]2CCC[C@@H](C(F)(F)F)C2)[C@@H](C[NH3+])C1 ZINC000514662761 448181386 /nfs/dbraw/zinc/18/13/86/448181386.db2.gz AZTAXJOLEOMBOF-UPJWGTAASA-N 2 0 336.402 1.639 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571679573 448189579 /nfs/dbraw/zinc/18/95/79/448189579.db2.gz NGBVGIMDJBHYFS-GJZGRUSLSA-N 2 0 338.402 1.407 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc2c(c1)CCCO2 ZINC000527126881 448165003 /nfs/dbraw/zinc/16/50/03/448165003.db2.gz WPPRUCONARQPTD-UHFFFAOYSA-N 2 0 334.464 1.969 20 0 EDADRP CC(C)COc1ccc(CC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000582415840 448229578 /nfs/dbraw/zinc/22/95/78/448229578.db2.gz LXDWMRSTXACBPX-LJQANCHMSA-N 2 0 349.519 1.462 20 0 EDADRP Cc1cccnc1/C=C\C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000492623764 448239651 /nfs/dbraw/zinc/23/96/51/448239651.db2.gz LXVFUOPBVNYQFB-FPLPWBNLSA-N 2 0 330.476 1.888 20 0 EDADRP Cn1cc(-c2ncc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cn2)cn1 ZINC000527512728 448243522 /nfs/dbraw/zinc/24/35/22/448243522.db2.gz OBWBXUBEQOAVJD-RDJZCZTQSA-N 2 0 326.448 1.793 20 0 EDADRP CCOCCC1(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000577366530 448275990 /nfs/dbraw/zinc/27/59/90/448275990.db2.gz WQGNIEGDLORHPP-KRWDZBQOSA-N 2 0 327.513 1.171 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000515073982 448257313 /nfs/dbraw/zinc/25/73/13/448257313.db2.gz VRWYDMYFSZLPCS-ZIAGYGMSSA-N 2 0 345.896 1.786 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000515485790 448319602 /nfs/dbraw/zinc/31/96/02/448319602.db2.gz ADTYVIGOCXMOLY-MAUKXSAKSA-N 2 0 330.476 1.761 20 0 EDADRP CC[C@@]1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)OCCc2ccccc21 ZINC000572114781 448290681 /nfs/dbraw/zinc/29/06/81/448290681.db2.gz GTWHSQBYQMWGSD-QUCCMNQESA-N 2 0 347.503 1.063 20 0 EDADRP CCOC(=O)CC[C@@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272371 448303118 /nfs/dbraw/zinc/30/31/18/448303118.db2.gz CALRFIHJUPSFHZ-HOTGVXAUSA-N 2 0 339.480 1.239 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2cnn(C)c2)n1 ZINC000527692202 448339199 /nfs/dbraw/zinc/33/91/99/448339199.db2.gz MAUNSMSVBQYXLD-CQSZACIVSA-N 2 0 348.520 1.659 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000572303255 448339720 /nfs/dbraw/zinc/33/97/20/448339720.db2.gz BDDRMDCKWWBGFJ-CABCVRRESA-N 2 0 325.478 1.733 20 0 EDADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H](C(C)C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000582847627 448358748 /nfs/dbraw/zinc/35/87/48/448358748.db2.gz ZFHDJVUQVFWWTG-GUDVDZBRSA-N 2 0 345.487 1.562 20 0 EDADRP C[C@@H](c1nc(-c2cccnc2)no1)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000572486885 448392398 /nfs/dbraw/zinc/39/23/98/448392398.db2.gz OMJQNMCCBRDXCR-DZGCQCFKSA-N 2 0 343.431 1.880 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000572500106 448395879 /nfs/dbraw/zinc/39/58/79/448395879.db2.gz CPMHFIHRYDJJPC-LJQANCHMSA-N 2 0 348.491 1.311 20 0 EDADRP CCC[C@@H]1CN(CCN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000583084286 448420264 /nfs/dbraw/zinc/42/02/64/448420264.db2.gz JZVYHZQGVLZHBF-HXUWFJFHSA-N 2 0 330.520 1.878 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CC1 ZINC000583075065 448417110 /nfs/dbraw/zinc/41/71/10/448417110.db2.gz XQKZVYOKGRDLIM-HKUYNNGSSA-N 2 0 337.508 1.852 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCSc2ccc(F)cc2)CC1 ZINC000577741697 448374071 /nfs/dbraw/zinc/37/40/71/448374071.db2.gz WWQQCNALTCUGAG-INIZCTEOSA-N 2 0 341.496 1.506 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)NCc3ccn4ccnc4c3)cc2C1 ZINC000577996890 448433761 /nfs/dbraw/zinc/43/37/61/448433761.db2.gz HBHJDVVVEBMGRW-CQSZACIVSA-N 2 0 336.399 1.867 20 0 EDADRP Cc1c(C(=O)NC2CCC(C[NH+](C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000572719166 448447864 /nfs/dbraw/zinc/44/78/64/448447864.db2.gz LXMUTWXPCYSXFX-UHFFFAOYSA-N 2 0 348.495 1.361 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1ccc(OC2CC[NH+](C)CC2)cc1)C1CC1 ZINC000517129682 448540924 /nfs/dbraw/zinc/54/09/24/448540924.db2.gz JDONABAGGUYWPJ-GOSISDBHSA-N 2 0 347.503 1.704 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000517142081 448542405 /nfs/dbraw/zinc/54/24/05/448542405.db2.gz IDYDMYRGCODPMN-ZWKOTPCHSA-N 2 0 330.476 1.061 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000517800546 448621054 /nfs/dbraw/zinc/62/10/54/448621054.db2.gz YOMRDVWAXYKSMR-SFHVURJKSA-N 2 0 330.476 1.896 20 0 EDADRP C[C@H](CNC(=O)NC(C)(C)CN1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000566960712 448591209 /nfs/dbraw/zinc/59/12/09/448591209.db2.gz UODOTEXHTQPYJC-JKSUJKDBSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC[N@H+]1C ZINC000538921860 448603184 /nfs/dbraw/zinc/60/31/84/448603184.db2.gz CHLVOEXIBMPYCU-SOLBZPMBSA-N 2 0 330.476 1.845 20 0 EDADRP Cc1ccc(NC(=O)NC[C@@H]2COCC[NH2+]2)c(OCC[NH+](C)C)c1 ZINC000528680448 448627355 /nfs/dbraw/zinc/62/73/55/448627355.db2.gz OTUHRZMBGGYBDO-CQSZACIVSA-N 2 0 336.436 1.045 20 0 EDADRP O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC1CC[NH2+]CC1 ZINC000567164585 448627628 /nfs/dbraw/zinc/62/76/28/448627628.db2.gz OXRZGROJNPBEKS-IBGZPJMESA-N 2 0 342.443 1.183 20 0 EDADRP Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cn1 ZINC000584783083 448631480 /nfs/dbraw/zinc/63/14/80/448631480.db2.gz LKRIFNRFCAMFFZ-NEWSRXKRSA-N 2 0 328.460 1.215 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+])CC1 ZINC000578988576 448687819 /nfs/dbraw/zinc/68/78/19/448687819.db2.gz OADYHFYLYWCIQD-CABCVRRESA-N 2 0 340.512 1.199 20 0 EDADRP c1ccc(-n2nnnc2CCN2CCCC[C@H]2[C@H]2CCC[NH2+]2)cc1 ZINC000519365276 448762473 /nfs/dbraw/zinc/76/24/73/448762473.db2.gz FNJWIUAONHPUDQ-SJORKVTESA-N 2 0 326.448 1.811 20 0 EDADRP c1cc2c(cc1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)OCCO2 ZINC000518959772 448724414 /nfs/dbraw/zinc/72/44/14/448724414.db2.gz JSTRDSBKKMFTGJ-GVDBMIGSSA-N 2 0 332.444 1.747 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000573962362 448757507 /nfs/dbraw/zinc/75/75/07/448757507.db2.gz DGGQPVXWQVLMJJ-FUHWJXTLSA-N 2 0 338.540 1.674 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000567779403 448760069 /nfs/dbraw/zinc/76/00/69/448760069.db2.gz PYQLUTCFVFVLBY-SFHVURJKSA-N 2 0 342.487 1.762 20 0 EDADRP Cc1nccc(NCc2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)n1 ZINC000544522042 448760469 /nfs/dbraw/zinc/76/04/69/448760469.db2.gz FANHSSVDJUURCV-INIZCTEOSA-N 2 0 339.443 2.079 20 0 EDADRP COc1ccccc1/C=C/C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000519632559 448805851 /nfs/dbraw/zinc/80/58/51/448805851.db2.gz VQGCCUSPHWQTSL-DFUPXEOGSA-N 2 0 343.471 1.945 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000579493377 448810280 /nfs/dbraw/zinc/81/02/80/448810280.db2.gz HIMPUOASKWDCNS-RTBURBONSA-N 2 0 345.487 1.472 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000519649757 448812176 /nfs/dbraw/zinc/81/21/76/448812176.db2.gz PNMHXKCCYWGWPY-XUVXKRRUSA-N 2 0 347.503 1.132 20 0 EDADRP C[C@@H]1CN(CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000519422328 448769271 /nfs/dbraw/zinc/76/92/71/448769271.db2.gz RUVHYJKTTYYITL-AEFFLSMTSA-N 2 0 331.460 1.345 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000574142078 448799269 /nfs/dbraw/zinc/79/92/69/448799269.db2.gz YOOQJGMKOBDPNF-QBPKDAKJSA-N 2 0 338.496 1.031 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000529314553 448817953 /nfs/dbraw/zinc/81/79/53/448817953.db2.gz OLBWKMRUBQWCAZ-MRXNPFEDSA-N 2 0 338.496 1.460 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000529334802 448830051 /nfs/dbraw/zinc/83/00/51/448830051.db2.gz WWXCMYSKOKNYKR-HZPDHXFCSA-N 2 0 338.496 1.400 20 0 EDADRP Cc1ccc(CS(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000546679701 448839469 /nfs/dbraw/zinc/83/94/69/448839469.db2.gz BIASLVRUTFVARX-UHFFFAOYSA-N 2 0 345.484 1.389 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000529373923 448847921 /nfs/dbraw/zinc/84/79/21/448847921.db2.gz KNURLZAQPRARRN-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP COc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(F)c1 ZINC000579719740 448863048 /nfs/dbraw/zinc/86/30/48/448863048.db2.gz DKISQCLVCGILTC-UHFFFAOYSA-N 2 0 337.439 1.724 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c21 ZINC000592554162 448896999 /nfs/dbraw/zinc/89/69/99/448896999.db2.gz FLJHYFJIBQKOPQ-ARFHVFGLSA-N 2 0 345.491 1.571 20 0 EDADRP [NH3+]C1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000574548698 448900810 /nfs/dbraw/zinc/90/08/10/448900810.db2.gz XZAZZSFMFJXBFR-QGZVFWFLSA-N 2 0 330.476 1.684 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c21 ZINC000592567077 448904511 /nfs/dbraw/zinc/90/45/11/448904511.db2.gz PUADOVSMWFDTQL-SQWLQELKSA-N 2 0 331.464 1.323 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)[NH+]1CCN(C)CC1 ZINC000574570947 448905573 /nfs/dbraw/zinc/90/55/73/448905573.db2.gz XRJIOOSVLUERTR-YQVWRLOYSA-N 2 0 336.524 1.154 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000568737218 448911941 /nfs/dbraw/zinc/91/19/41/448911941.db2.gz WFSSKEAJGIQOIU-UHFFFAOYSA-N 2 0 346.475 1.412 20 0 EDADRP Cc1cc(CN2C[C@@H](c3cnn(C)c3)[C@H]([NH3+])C2)ccc1-n1cncn1 ZINC000520795510 448929767 /nfs/dbraw/zinc/92/97/67/448929767.db2.gz GBFCQBDGXDAPRB-DLBZAZTESA-N 2 0 337.431 1.236 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000521204292 448961745 /nfs/dbraw/zinc/96/17/45/448961745.db2.gz FTOCGBAYXMDQQR-RDJZCZTQSA-N 2 0 338.496 1.149 20 0 EDADRP C(C[N@@H+]1C[C@H]2CCC[C@@]2(c2nc(CC3CC3)no2)C1)N1CC[NH2+]CC1 ZINC000521875878 449022362 /nfs/dbraw/zinc/02/23/62/449022362.db2.gz CWEVAMOXHHVBNW-VQIMIIECSA-N 2 0 345.491 1.281 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592958516 449081759 /nfs/dbraw/zinc/08/17/59/449081759.db2.gz ZVEORKAOAJGQTO-OWCLPIDISA-N 2 0 347.507 1.817 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000575127096 449042967 /nfs/dbraw/zinc/04/29/67/449042967.db2.gz YQWYYMZWGPGCLF-HNNXBMFYSA-N 2 0 334.468 1.026 20 0 EDADRP CC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000522223278 449065607 /nfs/dbraw/zinc/06/56/07/449065607.db2.gz ZQAGUBOTZBHLJV-QGZVFWFLSA-N 2 0 330.476 1.894 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604631393 449266516 /nfs/dbraw/zinc/26/65/16/449266516.db2.gz GGPNYYZVTLDWDV-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC2)C1 ZINC000604641097 449267985 /nfs/dbraw/zinc/26/79/85/449267985.db2.gz CDISHYKQKWRDAQ-KSZLIROESA-N 2 0 349.523 1.035 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000604646181 449269336 /nfs/dbraw/zinc/26/93/36/449269336.db2.gz CTATUEYDEOZAJY-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000590846571 449318759 /nfs/dbraw/zinc/31/87/59/449318759.db2.gz PWBIQIUMABUAJI-HOTGVXAUSA-N 2 0 338.496 1.101 20 0 EDADRP O=C(NC[C@@H]1CC[NH+](C2CC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605425577 449381335 /nfs/dbraw/zinc/38/13/35/449381335.db2.gz CWJUONYRLXETEL-PXNSSMCTSA-N 2 0 343.471 1.224 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH+](C)C)CCOCC1)C1CC[NH+](C)CC1 ZINC000606689307 449506608 /nfs/dbraw/zinc/50/66/08/449506608.db2.gz CXACWZAQSXKEAL-CQSZACIVSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1CCCC(CNC(=O)C2([S@](C)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000602468063 449613335 /nfs/dbraw/zinc/61/33/35/449613335.db2.gz JCFCJEUIEJXVBY-WREIHNQOSA-N 2 0 343.537 1.114 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]c1C ZINC000602547721 449666985 /nfs/dbraw/zinc/66/69/85/449666985.db2.gz JOZWWBTYYWDEKW-AWEZNQCLSA-N 2 0 334.464 1.368 20 0 EDADRP COC(=O)[C@H]1CC[C@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000602601845 449698052 /nfs/dbraw/zinc/69/80/52/449698052.db2.gz MAVWTPLFZDPSSG-HDJSIYSDSA-N 2 0 346.431 1.409 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599020208 449701715 /nfs/dbraw/zinc/70/17/15/449701715.db2.gz QQZJSNSUGJIQDF-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CSC1(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000599064028 449715656 /nfs/dbraw/zinc/71/56/56/449715656.db2.gz BBTAWGJCNUKAHA-HNNXBMFYSA-N 2 0 342.553 1.845 20 0 EDADRP COC(=O)c1oc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000597057977 449789395 /nfs/dbraw/zinc/78/93/95/449789395.db2.gz KVJYJAOECDJDAR-CQSZACIVSA-N 2 0 335.448 1.633 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C)c(C(=O)OC)o2)CC1 ZINC000597055186 449787767 /nfs/dbraw/zinc/78/77/67/449787767.db2.gz CAGSSBVPNWTCNV-AWEZNQCLSA-N 2 0 337.464 1.738 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC1 ZINC000601229875 449762680 /nfs/dbraw/zinc/76/26/80/449762680.db2.gz AILYGVRYBJMJIE-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H]2CC[NH+](CC3CC3)C2)C[C@H](C)O1 ZINC000594957802 449820422 /nfs/dbraw/zinc/82/04/22/449820422.db2.gz ILAYMEODDAJHQW-UXLLHSPISA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892222 449930903 /nfs/dbraw/zinc/93/09/03/449930903.db2.gz JVZFSNHZCXKADJ-SUMDDJOVSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000612897729 449932593 /nfs/dbraw/zinc/93/25/93/449932593.db2.gz RZTBNMJZOUDDHS-KDOFPFPSSA-N 2 0 331.464 1.658 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000617976323 449958868 /nfs/dbraw/zinc/95/88/68/449958868.db2.gz WEYXMYGBDFISPZ-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612977839 449968678 /nfs/dbraw/zinc/96/86/78/449968678.db2.gz SMOPYDNVVYDIHA-INIZCTEOSA-N 2 0 338.496 1.317 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000618190201 450044776 /nfs/dbraw/zinc/04/47/76/450044776.db2.gz KTXIRLIRGHKUGE-IBGZPJMESA-N 2 0 329.488 1.961 20 0 EDADRP CCOC(=O)CCCCC[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000609799613 450097432 /nfs/dbraw/zinc/09/74/32/450097432.db2.gz VNJWMGMDGYOVIQ-QGZVFWFLSA-N 2 0 325.497 1.822 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1COc2cc(F)ccc2C1 ZINC000625286587 450274100 /nfs/dbraw/zinc/27/41/00/450274100.db2.gz IPYIMIKPQAFPJC-OAHLLOKOSA-N 2 0 337.439 1.329 20 0 EDADRP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1 ZINC000623618247 450552450 /nfs/dbraw/zinc/55/24/50/450552450.db2.gz JYDMJOBIURHVTP-QRQLOZEOSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000620970305 450566970 /nfs/dbraw/zinc/56/69/70/450566970.db2.gz OHSZGTJNSUSFSQ-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC([N@H+](C)Cc3ccccc3)C2)cn1 ZINC000632999014 450599625 /nfs/dbraw/zinc/59/96/25/450599625.db2.gz LKIXTENAXBKCJS-UHFFFAOYSA-N 2 0 341.459 1.401 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000633039071 450636232 /nfs/dbraw/zinc/63/62/32/450636232.db2.gz JXIVBFCETFCAIZ-ZFWWWQNUSA-N 2 0 332.448 1.415 20 0 EDADRP C[C@H](C[NH2+]Cc1ccnn1CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000621334743 450688824 /nfs/dbraw/zinc/68/88/24/450688824.db2.gz PZFQIDVCVYZRDG-GOSISDBHSA-N 2 0 341.503 1.851 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(c2ccc(Cl)cc2)CCO1 ZINC000629521776 450724764 /nfs/dbraw/zinc/72/47/64/450724764.db2.gz UICOERRCBWGHHD-DOTOQJQBSA-N 2 0 341.883 1.889 20 0 EDADRP O=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1ccc2c(c1)OCCO2 ZINC000629551762 450732572 /nfs/dbraw/zinc/73/25/72/450732572.db2.gz XFXKYESNCBOPRH-MGPQQGTHSA-N 2 0 331.416 1.374 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)CCOc1ccccc1Br ZINC000629572018 450743008 /nfs/dbraw/zinc/74/30/08/450743008.db2.gz MCMBAIWUWRDSHP-UHFFFAOYSA-N 2 0 331.254 1.996 20 0 EDADRP C[N@H+](CCOCC[NH3+])CCC(=O)Nc1cccc(Br)c1 ZINC000629577412 450744980 /nfs/dbraw/zinc/74/49/80/450744980.db2.gz HRSOEPFFBNLZAT-UHFFFAOYSA-N 2 0 344.253 1.685 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@@H]2CCC[C@@H]21 ZINC000624263108 450769987 /nfs/dbraw/zinc/76/99/87/450769987.db2.gz BERLZNJOISCHDG-FYQPLNBISA-N 2 0 344.503 1.745 20 0 EDADRP Cn1c2cc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)ccc2oc1=O ZINC000631827194 450799996 /nfs/dbraw/zinc/79/99/96/450799996.db2.gz HQCMGIJAZSCTGV-PBHICJAKSA-N 2 0 331.416 1.460 20 0 EDADRP CC[C@H](C(=O)N1CCC([N@@H+]2CCCOCC2)CC1)[NH+](CC)CC ZINC000627739799 450909827 /nfs/dbraw/zinc/90/98/27/450909827.db2.gz RDYAIHZYJOGKFP-QGZVFWFLSA-N 2 0 325.497 1.820 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)[C@@H](C)C1 ZINC000629961292 450918926 /nfs/dbraw/zinc/91/89/26/450918926.db2.gz KTCLRWMGWULISV-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H](C)C1 ZINC000629961295 450919629 /nfs/dbraw/zinc/91/96/29/450919629.db2.gz KTCLRWMGWULISV-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000626847719 450955103 /nfs/dbraw/zinc/95/51/03/450955103.db2.gz YEHWVKYJBAPJAO-KRWDZBQOSA-N 2 0 346.475 1.452 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000626853184 450961390 /nfs/dbraw/zinc/96/13/90/450961390.db2.gz PFLCGROMLNWZAY-UHFFFAOYSA-N 2 0 332.448 1.071 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH+]3CCOCC3)CC2)CC[N@@H+]1C ZINC000633693948 450988304 /nfs/dbraw/zinc/98/83/04/450988304.db2.gz GISKNSAVEDLEMO-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000626909771 450999058 /nfs/dbraw/zinc/99/90/58/450999058.db2.gz TXVGIHUSYATZRW-WMLDXEAASA-N 2 0 344.459 1.130 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC2CC[NH+](C3CC3)CC2)CC[C@@H]1C(F)(F)F ZINC000626928678 451011477 /nfs/dbraw/zinc/01/14/77/451011477.db2.gz GJTWGEKRCZTVPV-FZMZJTMJSA-N 2 0 348.413 1.782 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@@H](C)O1 ZINC000626929226 451012642 /nfs/dbraw/zinc/01/26/42/451012642.db2.gz RBPHAOHSWKXZPU-AHCXZYCDSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000626935104 451017548 /nfs/dbraw/zinc/01/75/48/451017548.db2.gz XLNWZCFLESHECW-AMBYYYRHSA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000626939603 451020381 /nfs/dbraw/zinc/02/03/81/451020381.db2.gz KDRFVYFHDFRLAR-UONOGXRCSA-N 2 0 326.510 1.398 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000626947448 451026355 /nfs/dbraw/zinc/02/63/55/451026355.db2.gz BLZZAZZBVSNKDA-RBSFLKMASA-N 2 0 326.485 1.160 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626952344 451031162 /nfs/dbraw/zinc/03/11/62/451031162.db2.gz BAZGMYVSGBSKLG-SFHVURJKSA-N 2 0 348.491 1.434 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C1CC1 ZINC000626965076 451037842 /nfs/dbraw/zinc/03/78/42/451037842.db2.gz QGHYCGYXDBMQRL-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP CN([C@H]1CC[N@H+](Cc2ccccc2)C1)S(=O)(=O)CCC[NH+](C)C ZINC000632105607 451039606 /nfs/dbraw/zinc/03/96/06/451039606.db2.gz VBTZTNMOEISHCJ-KRWDZBQOSA-N 2 0 339.505 1.474 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CC[N@@H+]1C ZINC000626986991 451053337 /nfs/dbraw/zinc/05/33/37/451053337.db2.gz TULMULBFYRWPSX-XQHKEYJVSA-N 2 0 336.402 1.638 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011657 451076140 /nfs/dbraw/zinc/07/61/40/451076140.db2.gz HFYHLCMFVUNAOU-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000627019690 451084046 /nfs/dbraw/zinc/08/40/46/451084046.db2.gz LOWIGIXPUFJFNL-QGZVFWFLSA-N 2 0 334.464 1.268 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000627031640 451090871 /nfs/dbraw/zinc/09/08/71/451090871.db2.gz GNFIMNFLYQHXQA-OAHLLOKOSA-N 2 0 332.448 1.321 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979220 451047736 /nfs/dbraw/zinc/04/77/36/451047736.db2.gz UIWIGHADQOFANS-ROUUACIJSA-N 2 0 346.475 1.501 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC[C@H]2CC[NH2+]C2)CC1 ZINC000627073636 451111562 /nfs/dbraw/zinc/11/15/62/451111562.db2.gz OYDLWXIFXQHIPQ-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000627109107 451127456 /nfs/dbraw/zinc/12/74/56/451127456.db2.gz CXUIKJDZZVXYRA-UHFFFAOYSA-N 2 0 338.496 1.402 20 0 EDADRP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635641384 451128679 /nfs/dbraw/zinc/12/86/79/451128679.db2.gz SKMRNRYBZLAGOU-QUCCMNQESA-N 2 0 345.487 1.545 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C[NH2+]1 ZINC000627203140 451185196 /nfs/dbraw/zinc/18/51/96/451185196.db2.gz VHIXSKBWSQZZKO-SZNINPNASA-N 2 0 349.523 1.079 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000627211852 451188957 /nfs/dbraw/zinc/18/89/57/451188957.db2.gz DUYROBGJXGZZJB-UHFFFAOYSA-N 2 0 340.512 1.649 20 0 EDADRP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NCCOCCC[NH3+] ZINC000627216979 451192093 /nfs/dbraw/zinc/19/20/93/451192093.db2.gz YFYVEJQJEYWNOH-UHFFFAOYSA-N 2 0 328.501 1.696 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO ZINC000635784616 451238325 /nfs/dbraw/zinc/23/83/25/451238325.db2.gz GLIHWDYFRMDBCO-MOPGFXCFSA-N 2 0 345.487 1.744 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638083010 451246719 /nfs/dbraw/zinc/24/67/19/451246719.db2.gz ZOENOKOGRCHHQE-UYAOXDASSA-N 2 0 345.487 1.782 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638084095 451247184 /nfs/dbraw/zinc/24/71/84/451247184.db2.gz PXPMFNZJBNDZPH-AOIWGVFYSA-N 2 0 346.519 1.682 20 0 EDADRP O=C(CN1CC[NH2+]CC1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000638087218 451251510 /nfs/dbraw/zinc/25/15/10/451251510.db2.gz OZUULSDIYXUPRN-UHFFFAOYSA-N 2 0 330.476 1.906 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638088038 451254035 /nfs/dbraw/zinc/25/40/35/451254035.db2.gz YJSJRNBZNDLKBY-OXJNMPFZSA-N 2 0 345.487 1.708 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000638094304 451258661 /nfs/dbraw/zinc/25/86/61/451258661.db2.gz ZNMAHDAQLITBBX-ZFWWWQNUSA-N 2 0 332.448 1.320 20 0 EDADRP COCC[C@H]([NH3+])Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630596803 451269101 /nfs/dbraw/zinc/26/91/01/451269101.db2.gz SJZOUIZSSFEXTO-MSOLQXFVSA-N 2 0 343.475 1.707 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(S(N)(=O)=O)s2)[C@H](C)C1 ZINC000638111452 451279577 /nfs/dbraw/zinc/27/95/77/451279577.db2.gz DZLHZLYWPFNRNF-DGCLKSJQSA-N 2 0 331.507 1.558 20 0 EDADRP C[C@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370074 451232121 /nfs/dbraw/zinc/23/21/21/451232121.db2.gz VFRGFCRTWBMEAR-JKSUJKDBSA-N 2 0 347.507 1.828 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)[C@H]1c1cccs1 ZINC000638121750 451292366 /nfs/dbraw/zinc/29/23/66/451292366.db2.gz HCYYOIHSVARDOT-UKPHBRMFSA-N 2 0 337.489 1.626 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000638133855 451307172 /nfs/dbraw/zinc/30/71/72/451307172.db2.gz KXSDXLLNXSQMIZ-QGPMSJSTSA-N 2 0 330.476 1.187 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000638133853 451307193 /nfs/dbraw/zinc/30/71/93/451307193.db2.gz KXSDXLLNXSQMIZ-HFTRVMKXSA-N 2 0 330.476 1.187 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638271842 451390437 /nfs/dbraw/zinc/39/04/37/451390437.db2.gz DMZFJIDNIVLTHE-GOSISDBHSA-N 2 0 334.508 1.492 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000634456590 451346971 /nfs/dbraw/zinc/34/69/71/451346971.db2.gz HDSAGIULLCIAHI-IBGZPJMESA-N 2 0 344.503 1.323 20 0 EDADRP Cn1cc(CCC[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)cn1 ZINC000638273722 451391658 /nfs/dbraw/zinc/39/16/58/451391658.db2.gz JUPXQBVMPHRIHI-HXUWFJFHSA-N 2 0 341.503 1.931 20 0 EDADRP C[C@H]1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC[N@@H+](C2CCC2)C1 ZINC000635956777 451395100 /nfs/dbraw/zinc/39/51/00/451395100.db2.gz ZKDMZASJZYMKMQ-MRXNPFEDSA-N 2 0 337.508 1.678 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638285231 451403284 /nfs/dbraw/zinc/40/32/84/451403284.db2.gz VQYPKQKWROIATR-ZWKOTPCHSA-N 2 0 332.492 1.244 20 0 EDADRP C[C@H](CNC(=O)Nc1cc(C[NH+](C)C)ccn1)C[NH+]1CCN(C)CC1 ZINC000640563150 451408446 /nfs/dbraw/zinc/40/84/46/451408446.db2.gz QHNIKCFTKMRTDB-OAHLLOKOSA-N 2 0 348.495 1.148 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638304676 451418353 /nfs/dbraw/zinc/41/83/53/451418353.db2.gz JNWNLXVRHDQOEQ-KBXCAEBGSA-N 2 0 332.448 1.102 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638328492 451436575 /nfs/dbraw/zinc/43/65/75/451436575.db2.gz JMBRZNVXWLXZPB-FHWLQOOXSA-N 2 0 344.503 1.436 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cn1 ZINC000638353727 451454634 /nfs/dbraw/zinc/45/46/34/451454634.db2.gz YMMSFARJAXYKTC-UHFFFAOYSA-N 2 0 345.491 1.328 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCNC(=O)c2cccs2)CC1 ZINC000638378337 451474071 /nfs/dbraw/zinc/47/40/71/451474071.db2.gz NWRTUYQNELJHOS-UHFFFAOYSA-N 2 0 325.478 1.303 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638335844 451441369 /nfs/dbraw/zinc/44/13/69/451441369.db2.gz WLEHKJNGZMKYMX-TXJVSEOTSA-N 2 0 343.471 1.473 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC([NH+]2CCCOCC2)CC1 ZINC000636022680 451445379 /nfs/dbraw/zinc/44/53/79/451445379.db2.gz WEFFEWBZFOCLSM-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP CC[C@@H](NC(C)=O)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000638342777 451446174 /nfs/dbraw/zinc/44/61/74/451446174.db2.gz GKNWPGRHYBIUJY-QGZVFWFLSA-N 2 0 346.475 1.011 20 0 EDADRP OCCC[N@@H+]1CCC[C@H](NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720265 451499592 /nfs/dbraw/zinc/49/95/92/451499592.db2.gz HPQJDAYCJZWOSG-PMACEKPBSA-N 2 0 347.503 1.060 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](CO)Cc2ccc(F)cc2)CC1 ZINC000638413660 451499976 /nfs/dbraw/zinc/49/99/76/451499976.db2.gz CPBVYAQJKGWVNB-INIZCTEOSA-N 2 0 338.467 1.802 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000638480974 451535327 /nfs/dbraw/zinc/53/53/27/451535327.db2.gz FBVAZOIRGHXSPL-RBUKOAKNSA-N 2 0 345.487 1.734 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000638514526 451553558 /nfs/dbraw/zinc/55/35/58/451553558.db2.gz UFYCYTOYONLQLI-MOPGFXCFSA-N 2 0 346.519 1.634 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCC2CCOCC2)c1 ZINC000638514259 451553595 /nfs/dbraw/zinc/55/35/95/451553595.db2.gz ROGCYDSSNAJBSU-UHFFFAOYSA-N 2 0 333.476 1.884 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@@H]1C(F)(F)F ZINC000638546978 451570998 /nfs/dbraw/zinc/57/09/98/451570998.db2.gz HYIPYOGAPKPOPF-QLFBSQMISA-N 2 0 341.377 1.687 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[C@@H]1C(F)(F)F ZINC000638560722 451576881 /nfs/dbraw/zinc/57/68/81/451576881.db2.gz XJXFVXXKQPKLAD-SNPRPXQTSA-N 2 0 341.377 1.859 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C[C@H]2CSCC[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638559925 451577109 /nfs/dbraw/zinc/57/71/09/451577109.db2.gz QZXODBSFMGDCEI-OUAUKWLOSA-N 2 0 325.400 1.067 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccnc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000636910023 451599070 /nfs/dbraw/zinc/59/90/70/451599070.db2.gz YMJKIKVRBVKRCB-DOTOQJQBSA-N 2 0 348.491 1.824 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1ccc2nccnc2c1)N1CC[NH+](C)CC1 ZINC000634951593 451620440 /nfs/dbraw/zinc/62/04/40/451620440.db2.gz ALRQCRFDKGHDRA-IBGZPJMESA-N 2 0 327.476 1.991 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N(C)CCOCC[NH3+] ZINC000638670689 451641406 /nfs/dbraw/zinc/64/14/06/451641406.db2.gz PVKXXSYDHKWTCI-RTBURBONSA-N 2 0 347.503 1.968 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010869 451647740 /nfs/dbraw/zinc/64/77/40/451647740.db2.gz WKZXXSWCVGVGAP-NUEKZKHPSA-N 2 0 336.505 1.477 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCCOCC2CCOCC2)CC1 ZINC000638679270 451647904 /nfs/dbraw/zinc/64/79/04/451647904.db2.gz SSOSKFWITGNYBV-UHFFFAOYSA-N 2 0 328.497 1.645 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000638783232 451689852 /nfs/dbraw/zinc/68/98/52/451689852.db2.gz ILKOWAAZYFFMPH-MSOLQXFVSA-N 2 0 331.460 1.612 20 0 EDADRP C[C@H](NC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1)C1=CC[N@H+](C)CC1 ZINC000637035039 451690017 /nfs/dbraw/zinc/69/00/17/451690017.db2.gz UGFIYWSBKGPBJV-AWEZNQCLSA-N 2 0 346.479 1.922 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638784671 451691019 /nfs/dbraw/zinc/69/10/19/451691019.db2.gz IYURTZNIXOJWHS-ROUUACIJSA-N 2 0 337.508 1.901 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000638845518 451708524 /nfs/dbraw/zinc/70/85/24/451708524.db2.gz GGMCALZOCGDYOC-HNNXBMFYSA-N 2 0 327.350 1.491 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850369 451710348 /nfs/dbraw/zinc/71/03/48/451710348.db2.gz DUGPDXIBMREGST-OALUTQOASA-N 2 0 345.487 1.926 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850068 451710601 /nfs/dbraw/zinc/71/06/01/451710601.db2.gz BOGGVOMMHWJBPF-ZWKOTPCHSA-N 2 0 333.476 1.911 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)CC1 ZINC000638860702 451713425 /nfs/dbraw/zinc/71/34/25/451713425.db2.gz CFRJJGORMAECMJ-OAHLLOKOSA-N 2 0 346.479 1.293 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000638725487 451666608 /nfs/dbraw/zinc/66/66/08/451666608.db2.gz AUIBDSXECFAMKB-KRWDZBQOSA-N 2 0 331.460 1.790 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cn2)CC1 ZINC000632960084 451669779 /nfs/dbraw/zinc/66/97/79/451669779.db2.gz BQMBTXZMOJENNJ-CZUORRHYSA-N 2 0 332.452 1.366 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2)CC1 ZINC000632961507 451670498 /nfs/dbraw/zinc/67/04/98/451670498.db2.gz SDSQLSHGEZRKBX-GASCZTMLSA-N 2 0 346.479 1.613 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000641032224 451735707 /nfs/dbraw/zinc/73/57/07/451735707.db2.gz HCPYBFGJLMIXJN-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@@H]4C[C@H]3C[NH2+]4)CC2)c1 ZINC000638928033 451738344 /nfs/dbraw/zinc/73/83/44/451738344.db2.gz JYIYCTDANNNUDK-WMZOPIPTSA-N 2 0 328.460 1.080 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3C[C@@H]([NH3+])C[C@H]3C)CC2)c1 ZINC000638936747 451739814 /nfs/dbraw/zinc/73/98/14/451739814.db2.gz QZHVNWAGTKMKRJ-SJORKVTESA-N 2 0 330.476 1.455 20 0 EDADRP O=C(CSc1ccc(O)cc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985891 451746701 /nfs/dbraw/zinc/74/67/01/451746701.db2.gz JHTLERYUWIFLSV-UHFFFAOYSA-N 2 0 344.440 1.928 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1[NH2+]CCc2ccccc21 ZINC000638986768 451747526 /nfs/dbraw/zinc/74/75/26/451747526.db2.gz ARYXBPAABZJUBJ-SFHVURJKSA-N 2 0 337.427 1.317 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c2ccccc21 ZINC000639068635 451760935 /nfs/dbraw/zinc/76/09/35/451760935.db2.gz YMCTVMFKHOVLIB-AVOUXACISA-N 2 0 327.428 1.280 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)CC[N@@H+]1CC(C)(C)O ZINC000641163447 451766491 /nfs/dbraw/zinc/76/64/91/451766491.db2.gz KVBWYMKJUBHEAO-AWEZNQCLSA-N 2 0 346.475 1.276 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NCCC1CC[NH2+]CC1 ZINC000653271915 451806782 /nfs/dbraw/zinc/80/67/82/451806782.db2.gz QMAWKVCGDIVEDA-UHFFFAOYSA-N 2 0 344.503 1.705 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C1CCOCC1 ZINC000639310592 451820616 /nfs/dbraw/zinc/82/06/16/451820616.db2.gz XWZUDIFUXROJFN-UXHICEINSA-N 2 0 348.487 1.784 20 0 EDADRP COCC(C)(C)CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000644505407 451821309 /nfs/dbraw/zinc/82/13/09/451821309.db2.gz KXPFUDGBNDAZLB-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000644548898 451855700 /nfs/dbraw/zinc/85/57/00/451855700.db2.gz ZSWVKSMIQLZSGJ-PBHICJAKSA-N 2 0 325.884 1.469 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000637455364 451870583 /nfs/dbraw/zinc/87/05/83/451870583.db2.gz HBIYGFWVNJHSFJ-TWMKSMIVSA-N 2 0 342.528 1.713 20 0 EDADRP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)NC[C@@H]1CCCC[N@H+]1CCO ZINC000637469931 451885851 /nfs/dbraw/zinc/88/58/51/451885851.db2.gz GQKMQPXRSXYOOB-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000642645415 451906275 /nfs/dbraw/zinc/90/62/75/451906275.db2.gz JZZROJODAJJALO-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000639518476 451920120 /nfs/dbraw/zinc/92/01/20/451920120.db2.gz IJBPFVDMZWVCQY-ZBFHGGJFSA-N 2 0 336.505 1.874 20 0 EDADRP O=C([C@@H]1C[NH2+]CCC1(F)F)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000649268483 451941591 /nfs/dbraw/zinc/94/15/91/451941591.db2.gz LHQOPSNYYPGEGZ-INIZCTEOSA-N 2 0 337.414 1.966 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000649269960 451942895 /nfs/dbraw/zinc/94/28/95/451942895.db2.gz AEZWHBOVBGCDQC-WMZOPIPTSA-N 2 0 341.459 1.060 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733455 451942875 /nfs/dbraw/zinc/94/28/75/451942875.db2.gz POUWRPNCYQLGKB-QGZVFWFLSA-N 2 0 346.475 1.056 20 0 EDADRP COCCC1(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH2+]CC1 ZINC000649276891 451947790 /nfs/dbraw/zinc/94/77/90/451947790.db2.gz PGKMJRMOBGJQIH-KRWDZBQOSA-N 2 0 333.476 1.812 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649276336 451948018 /nfs/dbraw/zinc/94/80/18/451948018.db2.gz ODBSZWUNMMLMTO-LJQANCHMSA-N 2 0 331.460 1.536 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000651607667 451956726 /nfs/dbraw/zinc/95/67/26/451956726.db2.gz KFTOHDSYGCLMHV-SJLPKXTDSA-N 2 0 331.460 1.870 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C[C@@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732085 451959900 /nfs/dbraw/zinc/95/99/00/451959900.db2.gz FAAMQHIXJWXASJ-SLFFLAALSA-N 2 0 329.488 1.913 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649287611 451960879 /nfs/dbraw/zinc/96/08/79/451960879.db2.gz VMALPVXULWTCMM-CQSZACIVSA-N 2 0 327.375 1.810 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@]3(N)CC[NH+](C)C3)cc2)C1 ZINC000649288286 451962552 /nfs/dbraw/zinc/96/25/52/451962552.db2.gz ICYCIYOEOWREMQ-KXBFYZLASA-N 2 0 330.476 1.890 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]3)cc2)C[C@H](C)O1 ZINC000649288216 451963340 /nfs/dbraw/zinc/96/33/40/451963340.db2.gz CZZRQVUWEXCJGV-RLFYNMQTSA-N 2 0 331.460 1.664 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000649290805 451966444 /nfs/dbraw/zinc/96/64/44/451966444.db2.gz UDPJBSKYASGMGE-KRWDZBQOSA-N 2 0 349.475 1.259 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649293764 451968818 /nfs/dbraw/zinc/96/88/18/451968818.db2.gz IJHSEKJTUBBWGJ-ZWKOTPCHSA-N 2 0 331.460 1.566 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637608585 451971275 /nfs/dbraw/zinc/97/12/75/451971275.db2.gz WNPCLTCURYWHHN-AEFFLSMTSA-N 2 0 330.476 1.759 20 0 EDADRP CC[N@H+](CCC1CCN(C(=O)C(=O)NC[C@H](C)[NH3+])CC1)CC(C)C ZINC000642910296 451986530 /nfs/dbraw/zinc/98/65/30/451986530.db2.gz DEFNNEOUAUOQEG-HNNXBMFYSA-N 2 0 340.512 1.056 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649312904 451991403 /nfs/dbraw/zinc/99/14/03/451991403.db2.gz ITYYUAHTUJULBO-QLPKVWCKSA-N 2 0 331.485 1.948 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1C[NH2+]CCOC1 ZINC000649315857 451994862 /nfs/dbraw/zinc/99/48/62/451994862.db2.gz UMBGZGHUFOTKIT-QGZVFWFLSA-N 2 0 347.459 1.065 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000637657726 452001205 /nfs/dbraw/zinc/00/12/05/452001205.db2.gz XUBSKFSANRGNQZ-YLFCFFPRSA-N 2 0 340.512 1.610 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3cn([C@H]4CC[NH2+]C4)nn3)CC2)CC1 ZINC000649334423 452014560 /nfs/dbraw/zinc/01/45/60/452014560.db2.gz GIJLWWYOZZFEDR-GPANFISMSA-N 2 0 346.479 1.149 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C2CCC([NH3+])CC2)[C@@H](C)C1 ZINC000649334403 452014757 /nfs/dbraw/zinc/01/47/57/452014757.db2.gz CPYPRJYPNFSYMD-ZGRYLRDCSA-N 2 0 325.497 1.757 20 0 EDADRP COCCC1(C(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CC[NH2+]CC1 ZINC000649338989 452019333 /nfs/dbraw/zinc/01/93/33/452019333.db2.gz UIVFQBUYDMXLKI-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1C[NH2+]CCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000649342149 452022675 /nfs/dbraw/zinc/02/26/75/452022675.db2.gz PFKPDUUGGIUVLC-KGLIPLIRSA-N 2 0 345.434 1.381 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[NH2+]CCC1(F)F)C1([NH+]2CCOCC2)CCCC1 ZINC000649342150 452023645 /nfs/dbraw/zinc/02/36/45/452023645.db2.gz PFKPDUUGGIUVLC-UONOGXRCSA-N 2 0 345.434 1.381 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)ccc21 ZINC000647054972 452032472 /nfs/dbraw/zinc/03/24/72/452032472.db2.gz FRIIMBKAHBXBEI-QGZVFWFLSA-N 2 0 326.444 1.862 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000647057936 452034277 /nfs/dbraw/zinc/03/42/77/452034277.db2.gz CGLNXHBQTZGOQI-IRXDYDNUSA-N 2 0 348.466 1.405 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000649352017 452034972 /nfs/dbraw/zinc/03/49/72/452034972.db2.gz HXMKLCJAYNPUNE-UHFFFAOYSA-N 3 0 333.480 1.227 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649353544 452037882 /nfs/dbraw/zinc/03/78/82/452037882.db2.gz GONLNXCNJPCYJH-BWTSREIZSA-N 2 0 348.535 1.107 20 0 EDADRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)CC1 ZINC000649357716 452039941 /nfs/dbraw/zinc/03/99/41/452039941.db2.gz DJOAHOTYPLIIBV-KRWDZBQOSA-N 2 0 341.459 1.141 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)CCC(C)(C)[NH3+])CC2)nc1 ZINC000649374374 452048872 /nfs/dbraw/zinc/04/88/72/452048872.db2.gz WZPKVJVNPPFDAS-UHFFFAOYSA-N 2 0 333.480 1.309 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649377129 452050760 /nfs/dbraw/zinc/05/07/60/452050760.db2.gz QYUXCKLUVZQEQA-PIIMJCKOSA-N 2 0 328.460 1.612 20 0 EDADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000649382216 452054767 /nfs/dbraw/zinc/05/47/67/452054767.db2.gz WMZKUSRDRRCFAZ-RLLQIKCJSA-N 2 0 331.504 1.863 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000637851446 452115260 /nfs/dbraw/zinc/11/52/60/452115260.db2.gz ILTMTXPZFKODFN-HNNXBMFYSA-N 2 0 344.410 1.243 20 0 EDADRP Cc1cc(NC(=O)NCC2([NH+](C)C)CC2)n(C2CC[NH+](C)CC2)n1 ZINC000639784098 452126382 /nfs/dbraw/zinc/12/63/82/452126382.db2.gz HZKHJEMIVUWHQV-UHFFFAOYSA-N 2 0 334.468 1.674 20 0 EDADRP Cc1ccc(C[N@H+](C)CCN2CC[NH2+]CC2)c(-c2cnn(C)c2)c1 ZINC000647492686 452234901 /nfs/dbraw/zinc/23/49/01/452234901.db2.gz SRDSXXYHEYZERC-UHFFFAOYSA-N 2 0 327.476 1.733 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CCC[NH2+]1 ZINC000643474856 452240972 /nfs/dbraw/zinc/24/09/72/452240972.db2.gz FKAHCIKVXVJQLQ-RRFJBIMHSA-N 2 0 329.452 1.071 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645278036 452255962 /nfs/dbraw/zinc/25/59/62/452255962.db2.gz CKUREPQNUSWNSG-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000643489255 452257475 /nfs/dbraw/zinc/25/74/75/452257475.db2.gz MYOYSXAHYXLHOO-ARFHVFGLSA-N 2 0 346.541 1.158 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000659423540 452264647 /nfs/dbraw/zinc/26/46/47/452264647.db2.gz MTLNRSOJFWOXNR-URSIVYNOSA-N 2 0 328.460 1.956 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1cccc(F)c1 ZINC000659426871 452268341 /nfs/dbraw/zinc/26/83/41/452268341.db2.gz FWSYCXKIDXQMHC-RBSFLKMASA-N 2 0 326.391 1.509 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000641790014 452270143 /nfs/dbraw/zinc/27/01/43/452270143.db2.gz GZYBQUUCFLRNFX-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H](C)C[NH2+]C)c1cccc(OC)c1 ZINC000659428800 452270814 /nfs/dbraw/zinc/27/08/14/452270814.db2.gz CGPHKFYVHHANMI-YOEHRIQHSA-N 2 0 336.480 1.985 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000659436466 452284466 /nfs/dbraw/zinc/28/44/66/452284466.db2.gz LWFLWNVDDLRTMO-WBVHZDCISA-N 2 0 334.508 1.892 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000659444962 452292781 /nfs/dbraw/zinc/29/27/81/452292781.db2.gz KGQYEWWVFVDCAH-QGZVFWFLSA-N 2 0 339.528 1.218 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@]2(C)CC[NH2+]C2)CC1 ZINC000663583891 452309638 /nfs/dbraw/zinc/30/96/38/452309638.db2.gz YOTHRXZUKVNELB-SFHVURJKSA-N 2 0 331.464 1.702 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H]1C[NH3+] ZINC000652118455 452315463 /nfs/dbraw/zinc/31/54/63/452315463.db2.gz DGDAVGCJWSPORV-HUUCEWRRSA-N 2 0 326.485 1.256 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000652119552 452315670 /nfs/dbraw/zinc/31/56/70/452315670.db2.gz KMPLZOUQABEZIP-FGTMMUONSA-N 2 0 346.475 1.266 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCCC[NH2+]1 ZINC000638049759 452321210 /nfs/dbraw/zinc/32/12/10/452321210.db2.gz HJAOJOGLMRJHHD-WMZOPIPTSA-N 2 0 337.439 1.703 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663609594 452337958 /nfs/dbraw/zinc/33/79/58/452337958.db2.gz UUQNEUGODPNAFV-INIZCTEOSA-N 2 0 344.459 1.322 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000659480450 452339054 /nfs/dbraw/zinc/33/90/54/452339054.db2.gz LVXBWMVWENAYEC-VHSSKADRSA-N 2 0 346.475 1.880 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645362659 452340163 /nfs/dbraw/zinc/34/01/63/452340163.db2.gz MWYRHAFAPFNXNC-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000652154093 452347253 /nfs/dbraw/zinc/34/72/53/452347253.db2.gz VZPPWTMTUCPHBN-INIZCTEOSA-N 2 0 338.496 1.176 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000638064520 452364473 /nfs/dbraw/zinc/36/44/73/452364473.db2.gz VFJNQVCJJSOYAL-UHFFFAOYSA-N 2 0 331.416 1.917 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)C[C@H]1C[NH3+] ZINC000652171176 452366871 /nfs/dbraw/zinc/36/68/71/452366871.db2.gz CPNGDBYINSBHFW-BRWVUGGUSA-N 2 0 340.512 1.360 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638065140 452367037 /nfs/dbraw/zinc/36/70/37/452367037.db2.gz RDCNBDXIRVPFBX-FXAWDEMLSA-N 2 0 345.487 1.707 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000638072105 452381076 /nfs/dbraw/zinc/38/10/76/452381076.db2.gz QCTFGDBFTPYJJN-ZBFHGGJFSA-N 2 0 341.521 1.231 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638076203 452388873 /nfs/dbraw/zinc/38/88/73/452388873.db2.gz PGFMEKURLSRBOJ-IEBWSBKVSA-N 2 0 333.476 1.873 20 0 EDADRP COCCN1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000657612902 452390167 /nfs/dbraw/zinc/39/01/67/452390167.db2.gz DSZRNZHLHYPXQU-IBGZPJMESA-N 2 0 332.492 1.604 20 0 EDADRP COc1nccnc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612942 452390377 /nfs/dbraw/zinc/39/03/77/452390377.db2.gz GHEYPLGRIHUELE-UHFFFAOYSA-N 2 0 327.432 1.882 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652193738 452391806 /nfs/dbraw/zinc/39/18/06/452391806.db2.gz TZEVVGLZKAQEDR-NXOAAHMSSA-N 2 0 340.512 1.643 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CCC[NH2+]1 ZINC000659542776 452400704 /nfs/dbraw/zinc/40/07/04/452400704.db2.gz QBZUZCYIEMXPHI-MAUKXSAKSA-N 2 0 338.496 1.461 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000659544140 452402411 /nfs/dbraw/zinc/40/24/11/452402411.db2.gz PRXXYGGXLZJNSE-ZOBUZTSGSA-N 2 0 338.496 1.304 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C(F)F ZINC000659552333 452409803 /nfs/dbraw/zinc/40/98/03/452409803.db2.gz YNUSZGNGNAMYRT-MGPQQGTHSA-N 2 0 326.391 1.414 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659556799 452413031 /nfs/dbraw/zinc/41/30/31/452413031.db2.gz VMQXNALNCSJQQM-KGLIPLIRSA-N 2 0 326.485 1.302 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659556238 452413191 /nfs/dbraw/zinc/41/31/91/452413191.db2.gz DFMLRKPBQOWJPR-KRWDZBQOSA-N 2 0 332.448 1.198 20 0 EDADRP CC[N@H+](CCCNC(=O)N1CCOC2(C[NH2+]C2)C1)C1CCCCC1 ZINC000652227363 452419698 /nfs/dbraw/zinc/41/96/98/452419698.db2.gz FCCBIOREVIIRHF-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[C@@H]1C[NH3+] ZINC000659581044 452436440 /nfs/dbraw/zinc/43/64/40/452436440.db2.gz HYZIZMZJWJBVNV-OXXUSNJHSA-N 2 0 348.466 1.898 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659583854 452439883 /nfs/dbraw/zinc/43/98/83/452439883.db2.gz WXMMLMOXXDKNOH-RCCFBDPRSA-N 2 0 330.476 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccc(F)cc3)C[C@@H]21 ZINC000659590774 452448036 /nfs/dbraw/zinc/44/80/36/452448036.db2.gz DYRLRADUOZBJOI-DDBAPUKQSA-N 2 0 346.450 1.617 20 0 EDADRP C[C@H](COc1c(F)cccc1F)NC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000659599314 452456264 /nfs/dbraw/zinc/45/62/64/452456264.db2.gz YHXVOJVHRPETEG-NEPJUHHUSA-N 2 0 342.390 1.016 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)[NH+](C)C)cc1 ZINC000654408170 452460647 /nfs/dbraw/zinc/46/06/47/452460647.db2.gz XMXMKFNGSNPFDR-RCCFBDPRSA-N 2 0 346.475 1.058 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000652289439 452473941 /nfs/dbraw/zinc/47/39/41/452473941.db2.gz ZRMKLHUOWGWLLC-HNNXBMFYSA-N 2 0 348.491 1.393 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000652291959 452477131 /nfs/dbraw/zinc/47/71/31/452477131.db2.gz PKJALNRWLSAHOJ-MSOLQXFVSA-N 2 0 330.476 1.937 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000659623512 452480622 /nfs/dbraw/zinc/48/06/22/452480622.db2.gz DOPQTNWTBBWJLA-MRXNPFEDSA-N 2 0 326.485 1.114 20 0 EDADRP C[NH2+]C[C@@](C)(O)CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000652338587 452508922 /nfs/dbraw/zinc/50/89/22/452508922.db2.gz BFZYRKXCHBSEQH-HXUWFJFHSA-N 2 0 327.472 1.928 20 0 EDADRP C[NH2+]C[C@](C)(O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000652341428 452513582 /nfs/dbraw/zinc/51/35/82/452513582.db2.gz OUMKXEATOMMOQK-UFYCRDLUSA-N 2 0 331.504 1.943 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345638 452518801 /nfs/dbraw/zinc/51/88/01/452518801.db2.gz HHEXXLFJVCZSDN-KURKYZTESA-N 2 0 337.508 1.901 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345575 452519413 /nfs/dbraw/zinc/51/94/13/452519413.db2.gz GBYOZTZOECNFTI-XYJFISCASA-N 2 0 337.508 1.996 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3cc(=O)n4ccsc4n3)C2)C1 ZINC000652345867 452520215 /nfs/dbraw/zinc/52/02/15/452520215.db2.gz OGYCSZGAPSDEEM-GUTXKFCHSA-N 2 0 348.472 1.474 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)CC1 ZINC000647786182 452520972 /nfs/dbraw/zinc/52/09/72/452520972.db2.gz JXANWNZICYCDAJ-NJDAHSKKSA-N 3 0 342.531 1.912 20 0 EDADRP CCNC(=O)COc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647786539 452522347 /nfs/dbraw/zinc/52/23/47/452522347.db2.gz RFTUILMGMKUZCW-GVDBMIGSSA-N 2 0 331.460 1.679 20 0 EDADRP CN(CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)S(=O)(=O)c1cccs1 ZINC000647792906 452524022 /nfs/dbraw/zinc/52/40/22/452524022.db2.gz DUAKZAHAQLOSDF-MELADBBJSA-N 2 0 343.518 1.346 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000655712486 452528762 /nfs/dbraw/zinc/52/87/62/452528762.db2.gz RXRGATDMRKGKOL-MSOLQXFVSA-N 2 0 325.497 1.066 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CC(=O)NC(C2CC2)C2CC2)C1 ZINC000652361903 452545337 /nfs/dbraw/zinc/54/53/37/452545337.db2.gz SDYFFHHQNBFEIZ-IXDOHACOSA-N 2 0 335.492 1.652 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000659679333 452550219 /nfs/dbraw/zinc/55/02/19/452550219.db2.gz UVIKFZWLDFBNSB-DOTOQJQBSA-N 2 0 348.491 1.113 20 0 EDADRP C[C@H](O)[C@H]1CCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661770925 452565621 /nfs/dbraw/zinc/56/56/21/452565621.db2.gz KDGACJFSRFMLAR-QFBILLFUSA-N 2 0 345.487 1.744 20 0 EDADRP C[N@@H+](CCC(=O)N[C@@H]1CCCc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835436 452573543 /nfs/dbraw/zinc/57/35/43/452573543.db2.gz YLWCXXWVYGROTD-LJQANCHMSA-N 2 0 344.503 1.407 20 0 EDADRP C[C@H](CCNC(=O)NCc1ccccc1OCC[NH+](C)C)[NH+](C)C ZINC000663868803 452592900 /nfs/dbraw/zinc/59/29/00/452592900.db2.gz RBZSTGZAQWCZEH-OAHLLOKOSA-N 2 0 336.480 1.766 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000657899752 452600191 /nfs/dbraw/zinc/60/01/91/452600191.db2.gz WYOBNUGRIVXUDI-QGZVFWFLSA-N 2 0 327.513 1.434 20 0 EDADRP O=C(CC[NH+]1CCC(C(=O)c2ccc(O)cc2)CC1)N1CC[NH2+]CC1 ZINC000647874474 452612186 /nfs/dbraw/zinc/61/21/86/452612186.db2.gz ZKBNNLNRXZBKPE-UHFFFAOYSA-N 2 0 345.443 1.109 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc(N2CCC(C)(O)CC2)ncn1 ZINC000663904138 452632512 /nfs/dbraw/zinc/63/25/12/452632512.db2.gz BMECEHGUQKCEOD-HZPDHXFCSA-N 2 0 345.491 1.891 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCC(=O)NCc2ccccc2)CC1 ZINC000647909244 452649684 /nfs/dbraw/zinc/64/96/84/452649684.db2.gz YAMUAJCNLYEXBZ-UHFFFAOYSA-N 2 0 333.476 1.518 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663941330 452660475 /nfs/dbraw/zinc/66/04/75/452660475.db2.gz KDONVRSZFUHDEY-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F)C1 ZINC000655916051 452677244 /nfs/dbraw/zinc/67/72/44/452677244.db2.gz ZKZUDCKADMEKSW-IJLUTSLNSA-N 2 0 338.418 1.932 20 0 EDADRP CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655920113 452682132 /nfs/dbraw/zinc/68/21/32/452682132.db2.gz HMNPRVWJTIRTHS-ZIAGYGMSSA-N 2 0 344.381 1.792 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658134651 452745553 /nfs/dbraw/zinc/74/55/53/452745553.db2.gz BBFOKLZIPYXCSN-KXBFYZLASA-N 2 0 326.444 1.764 20 0 EDADRP COCC1(CNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC[NH2+]CC1 ZINC000655966603 452748769 /nfs/dbraw/zinc/74/87/69/452748769.db2.gz BKGVGVNUYXAZCJ-HOTGVXAUSA-N 2 0 338.496 1.319 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645787013 452788094 /nfs/dbraw/zinc/78/80/94/452788094.db2.gz RRXRPULXSKWHRQ-QGZVFWFLSA-N 2 0 331.460 1.393 20 0 EDADRP CC[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)[C@@H]1CCCCO1 ZINC000654720592 452834779 /nfs/dbraw/zinc/83/47/79/452834779.db2.gz XZAMXCXFJMBLSI-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000664175930 452843699 /nfs/dbraw/zinc/84/36/99/452843699.db2.gz RXGQKMUORZRVGL-UHFFFAOYSA-N 2 0 341.544 1.434 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654730945 452849950 /nfs/dbraw/zinc/84/99/50/452849950.db2.gz ZKTQTYFXDLPPMC-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000652705757 452857922 /nfs/dbraw/zinc/85/79/22/452857922.db2.gz NWYAKVTZPLSCBD-UHFFFAOYSA-N 2 0 346.475 1.011 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000648169622 452880875 /nfs/dbraw/zinc/88/08/75/452880875.db2.gz CKVCYWFYMXWNBO-DLBZAZTESA-N 2 0 331.460 1.946 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H]2C[C@H]3CCCC[C@@H]3NC2=O)C1 ZINC000659980128 452888893 /nfs/dbraw/zinc/88/88/93/452888893.db2.gz RFIUDUDFOSWTDT-ZJPYXAASSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@H+](CCCNC(=O)CN1CC[NH+](CC)CC1)C1CCCCC1 ZINC000652756917 452917638 /nfs/dbraw/zinc/91/76/38/452917638.db2.gz ZBFAVYAPPNYPCM-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(-n4cncn4)cc3)C2)C1 ZINC000650706650 452944034 /nfs/dbraw/zinc/94/40/34/452944034.db2.gz PBUKDHTVEUELGQ-ZHALLVOQSA-N 2 0 341.459 1.986 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(N3CCCC3)nc2)C1 ZINC000650721965 452952004 /nfs/dbraw/zinc/95/20/04/452952004.db2.gz HIOBYBFRVNOEPI-FGTMMUONSA-N 2 0 345.491 1.938 20 0 EDADRP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000650744955 452965538 /nfs/dbraw/zinc/96/55/38/452965538.db2.gz YWGRBKKLONUUDS-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@H]21 ZINC000652813425 452971360 /nfs/dbraw/zinc/97/13/60/452971360.db2.gz CPJAXHWXWWDDAD-QRVBRYPASA-N 2 0 343.471 1.583 20 0 EDADRP Cc1occc1C(=O)NC1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662256151 452986203 /nfs/dbraw/zinc/98/62/03/452986203.db2.gz HFKRJKLAJPRZNA-HNNXBMFYSA-N 2 0 333.432 1.303 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)nc(C)n1 ZINC000662263416 452995025 /nfs/dbraw/zinc/99/50/25/452995025.db2.gz ASVRIZRYSBQHBN-DOTOQJQBSA-N 2 0 331.464 1.174 20 0 EDADRP Cc1cc(=O)n2nc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)sc2n1 ZINC000662290744 453013466 /nfs/dbraw/zinc/01/34/66/453013466.db2.gz JICYLQFNZSSUSE-AWEZNQCLSA-N 2 0 347.488 1.671 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662294191 453017048 /nfs/dbraw/zinc/01/70/48/453017048.db2.gz PQOGWWBFCJWBRM-KRWDZBQOSA-N 3 0 348.535 1.441 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000666627438 453020238 /nfs/dbraw/zinc/02/02/38/453020238.db2.gz QLASCDXXYLPQFX-KGLIPLIRSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662354696 453069099 /nfs/dbraw/zinc/06/90/99/453069099.db2.gz HLEQPVBJJUDFOP-CQSZACIVSA-N 2 0 327.432 1.478 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662379252 453087388 /nfs/dbraw/zinc/08/73/88/453087388.db2.gz COEODLFQAVMNSA-SFHVURJKSA-N 2 0 332.492 1.309 20 0 EDADRP CC(C)[NH2+]CC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000662383118 453091734 /nfs/dbraw/zinc/09/17/34/453091734.db2.gz FQTNOAAODGLZNT-GOSISDBHSA-N 2 0 332.492 1.479 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC(O)(C[NH+]3CCOCC3)CC2)C1 ZINC000660163999 453096829 /nfs/dbraw/zinc/09/68/29/453096829.db2.gz FBHWCXFFFRSOAN-HDICACEKSA-N 2 0 339.524 1.123 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000662451497 453159580 /nfs/dbraw/zinc/15/95/80/453159580.db2.gz CPBHPUYKGRKCSR-HNNXBMFYSA-N 2 0 332.448 1.842 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662473489 453186142 /nfs/dbraw/zinc/18/61/42/453186142.db2.gz LBWUYNTZLUNTIR-HNNXBMFYSA-N 2 0 333.480 1.681 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC1 ZINC000662473490 453186414 /nfs/dbraw/zinc/18/64/14/453186414.db2.gz LBWUYNTZLUNTIR-OAHLLOKOSA-N 2 0 333.480 1.681 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(CC[NH+]3CCCCC3)nn2)C1 ZINC000656448882 453190559 /nfs/dbraw/zinc/19/05/59/453190559.db2.gz ORIYQNXQUOOBGQ-SFHVURJKSA-N 2 0 335.496 1.663 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448762 453190583 /nfs/dbraw/zinc/19/05/83/453190583.db2.gz MDLVLYQZHITJSI-RBUKOAKNSA-N 2 0 343.475 1.877 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000662528179 453248572 /nfs/dbraw/zinc/24/85/72/453248572.db2.gz XIFQEDJZBVRFQB-KRWDZBQOSA-N 2 0 346.475 1.363 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666976450 453294030 /nfs/dbraw/zinc/29/40/30/453294030.db2.gz IVTJGCUYKZBLFJ-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)COCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296451 453295362 /nfs/dbraw/zinc/29/53/62/453295362.db2.gz NSUNMSGIRWMJNQ-FUHWJXTLSA-N 2 0 333.432 1.065 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113238 453299529 /nfs/dbraw/zinc/29/95/29/453299529.db2.gz XOOZMOKLYPKTBY-RMRDIRSESA-N 2 0 329.444 1.174 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000653113239 453300018 /nfs/dbraw/zinc/30/00/18/453300018.db2.gz XOOZMOKLYPKTBY-WMEZAQDKSA-N 2 0 329.444 1.174 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576424 453303342 /nfs/dbraw/zinc/30/33/42/453303342.db2.gz XMIJSUFAXWRYLF-DOTOQJQBSA-N 2 0 340.431 1.135 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000662575844 453303850 /nfs/dbraw/zinc/30/38/50/453303850.db2.gz GOWDIORCQFCGFG-DLBZAZTESA-N 3 0 330.476 1.224 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000653150672 453337869 /nfs/dbraw/zinc/33/78/69/453337869.db2.gz JZHLBPQFEAJLOL-GJZGRUSLSA-N 2 0 326.872 1.338 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646367850 453350822 /nfs/dbraw/zinc/35/08/22/453350822.db2.gz SGZVWMKRTXQTRC-YIOZNXECSA-N 2 0 335.492 1.367 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662637498 453353386 /nfs/dbraw/zinc/35/33/86/453353386.db2.gz IXJPLJJUZYMKBM-MJGOQNOKSA-N 2 0 328.460 1.409 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408982 453370509 /nfs/dbraw/zinc/37/05/09/453370509.db2.gz WKGFIJHAFLFVSV-ZWKOTPCHSA-N 2 0 331.460 1.708 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000653185275 453375222 /nfs/dbraw/zinc/37/52/22/453375222.db2.gz YXWZHHXFZZMTNT-FRFSOERESA-N 2 0 328.416 1.693 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CC[NH+](CCc2cccs2)CC1 ZINC000656701476 453378485 /nfs/dbraw/zinc/37/84/85/453378485.db2.gz UMSVKGDZUUQXIG-MRXNPFEDSA-N 2 0 325.522 1.609 20 0 EDADRP CC[N@H+](CCCNC(=O)C[NH2+]C[C@@H]1CCCO1)C1CCCCC1 ZINC000653200561 453393928 /nfs/dbraw/zinc/39/39/28/453393928.db2.gz IUJJWTRPPQGNHZ-KRWDZBQOSA-N 2 0 325.497 1.916 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000662709488 453431921 /nfs/dbraw/zinc/43/19/21/453431921.db2.gz RXXRUMMLGVXLTI-WBAXXEDZSA-N 2 0 331.460 1.692 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000653261233 453443064 /nfs/dbraw/zinc/44/30/64/453443064.db2.gz PGNPJWOYNOHFQD-JJXSEGSLSA-N 2 0 325.497 1.898 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)[C@@H](C)C1 ZINC000662746621 453476750 /nfs/dbraw/zinc/47/67/50/453476750.db2.gz VFMSJUJSFUNOGE-UXLLHSPISA-N 2 0 348.495 1.395 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)C1CC[NH+](C)CC1 ZINC000651335684 453480441 /nfs/dbraw/zinc/48/04/41/453480441.db2.gz WDZIFCHTARAOAB-OLMNPRSZSA-N 2 0 337.508 1.580 20 0 EDADRP Cc1csc2nc(CN3CCC[C@@]4(CC[N@@H+](C)C4)C3)cc(=O)n12 ZINC000660655000 453489510 /nfs/dbraw/zinc/48/95/10/453489510.db2.gz DWDMBDYIDXDCEX-KRWDZBQOSA-N 2 0 332.473 1.982 20 0 EDADRP N[C@H](C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763912 453500820 /nfs/dbraw/zinc/50/08/20/453500820.db2.gz JYQUQZPPWGZLER-BZNIZROVSA-N 2 0 332.354 1.814 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646604525 453508964 /nfs/dbraw/zinc/50/89/64/453508964.db2.gz OZAZRCRGEGPWMB-SJORKVTESA-N 2 0 325.412 1.698 20 0 EDADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662785656 453519057 /nfs/dbraw/zinc/51/90/57/453519057.db2.gz VZYUKDTURDUWHU-YDHLFZDLSA-N 2 0 333.398 1.767 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)[C@H]2CCO[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000662803992 453539050 /nfs/dbraw/zinc/53/90/50/453539050.db2.gz AOBUJIVEVCZTGQ-BVBHFADKSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+]([C@@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750106 453559317 /nfs/dbraw/zinc/55/93/17/453559317.db2.gz AQLQVVIHELZUTI-KSZLIROESA-N 2 0 336.524 1.251 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC[NH+](CC2CC2)CC1 ZINC000667339475 453568992 /nfs/dbraw/zinc/56/89/92/453568992.db2.gz LJVOJLOFHBEHAT-UHFFFAOYSA-N 2 0 334.508 1.846 20 0 EDADRP CC[C@]1(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCC[NH2+]1 ZINC000662857900 453573868 /nfs/dbraw/zinc/57/38/68/453573868.db2.gz CRNDLRSCVHZTQU-PKOBYXMFSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000662858849 453574132 /nfs/dbraw/zinc/57/41/32/453574132.db2.gz IUYMIIFZECPMEZ-GGPKGHCWSA-N 2 0 345.487 1.777 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000665110477 453577984 /nfs/dbraw/zinc/57/79/84/453577984.db2.gz FUXLBHRFOFSWRJ-HNNXBMFYSA-N 3 0 346.479 1.406 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CC[NH2+]C2)cc1F ZINC000662870689 453581764 /nfs/dbraw/zinc/58/17/64/453581764.db2.gz LGHMYEHQFUNSKI-INWMFGNUSA-N 2 0 335.423 1.396 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662873293 453582642 /nfs/dbraw/zinc/58/26/42/453582642.db2.gz WCABDCBNTUNRRK-SQNIBIBYSA-N 2 0 331.460 1.126 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000660826634 453590492 /nfs/dbraw/zinc/59/04/92/453590492.db2.gz QJNYZZYTMMHSFD-CZUORRHYSA-N 2 0 328.526 1.596 20 0 EDADRP CN(C(=O)C1([NH3+])CC2(CCC2)C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662900251 453593017 /nfs/dbraw/zinc/59/30/17/453593017.db2.gz KTTXHPBKBTXRFV-INIZCTEOSA-N 2 0 334.508 1.275 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000660828850 453593311 /nfs/dbraw/zinc/59/33/11/453593311.db2.gz ATKDCTPEAGOZRR-JKSUJKDBSA-N 2 0 339.528 1.042 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659095570 453628373 /nfs/dbraw/zinc/62/83/73/453628373.db2.gz FFHKXEKLMTYDGN-OAHLLOKOSA-N 2 0 330.432 1.217 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000665271053 453631086 /nfs/dbraw/zinc/63/10/86/453631086.db2.gz GFFURDLNAUBJEU-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCO1 ZINC000662974058 453631767 /nfs/dbraw/zinc/63/17/67/453631767.db2.gz ZNXFIRPOGMWEMS-UYAOXDASSA-N 2 0 345.487 1.487 20 0 EDADRP C[C@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000662973892 453631833 /nfs/dbraw/zinc/63/18/33/453631833.db2.gz XZAWVQKTQMKAEF-IXDOHACOSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660885795 453632714 /nfs/dbraw/zinc/63/27/14/453632714.db2.gz ARJYHIRJBXEOTD-XYPHTWIQSA-N 2 0 336.480 1.022 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C12CCC2 ZINC000665287411 453635803 /nfs/dbraw/zinc/63/58/03/453635803.db2.gz KPWHWIXPJHQFOO-DLBZAZTESA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2nc(C[NH3+])cc(=O)[nH]2)CC1 ZINC000665291148 453638330 /nfs/dbraw/zinc/63/83/30/453638330.db2.gz VLEJNDCCRLHVSH-CZUORRHYSA-N 2 0 333.480 1.774 20 0 EDADRP C[C@H](NCc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000665290889 453638363 /nfs/dbraw/zinc/63/83/63/453638363.db2.gz NVURJPKZFJMYAX-ZDUSSCGKSA-N 2 0 345.447 1.432 20 0 EDADRP CCNC(=O)c1cccc(NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000665339992 453657149 /nfs/dbraw/zinc/65/71/49/453657149.db2.gz RWEQKENDJKKPFV-UHFFFAOYSA-N 2 0 349.479 1.441 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000659306788 453709045 /nfs/dbraw/zinc/70/90/45/453709045.db2.gz JFXBGOVHUVLHHG-INIZCTEOSA-N 2 0 343.418 1.607 20 0 EDADRP C[NH+]1CCC2(CC1)CN(C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)CCO2 ZINC000665553723 453744973 /nfs/dbraw/zinc/74/49/73/453744973.db2.gz ZPDFWTGZWYRMOO-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)(C)NS(=O)(=O)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657333448 453767978 /nfs/dbraw/zinc/76/79/78/453767978.db2.gz KPRCTEJKXIOUIS-UHFFFAOYSA-N 2 0 337.449 1.075 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657401867 453782348 /nfs/dbraw/zinc/78/23/48/453782348.db2.gz YTOIPCYHDSAMLP-RBUKOAKNSA-N 2 0 341.459 1.735 20 0 EDADRP Cc1nc(NCC[N@@H+](C)C2CC2)nc(NCC[NH+](C)C2CC2)c1F ZINC000663424043 453794166 /nfs/dbraw/zinc/79/41/66/453794166.db2.gz LNJHLIKHEPQABM-UHFFFAOYSA-N 2 0 336.459 1.936 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC1([NH+](C)C)CCCC1 ZINC000663439609 453799228 /nfs/dbraw/zinc/79/92/28/453799228.db2.gz SBQKRWVOGILXTK-INIZCTEOSA-N 2 0 341.544 1.432 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000663503043 453811597 /nfs/dbraw/zinc/81/15/97/453811597.db2.gz MPMNMFNLTYCWCS-QGZVFWFLSA-N 2 0 338.496 1.103 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000663504331 453812175 /nfs/dbraw/zinc/81/21/75/453812175.db2.gz SHSPQLYNXFWZER-UHFFFAOYSA-N 2 0 347.459 1.538 20 0 EDADRP Cc1n[nH]cc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663509491 453813113 /nfs/dbraw/zinc/81/31/13/453813113.db2.gz AMALDQBYVLHRQB-AWEZNQCLSA-N 2 0 329.452 1.230 20 0 EDADRP Cc1ccncc1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000663512905 453813686 /nfs/dbraw/zinc/81/36/86/453813686.db2.gz PURJHLSRESYDAJ-INIZCTEOSA-N 2 0 340.475 1.902 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000671307935 486651139 /nfs/dbraw/zinc/65/11/39/486651139.db2.gz ZDFUYPBYBPJOFV-SJORKVTESA-N 2 0 335.492 1.514 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233073 486726182 /nfs/dbraw/zinc/72/61/82/486726182.db2.gz FDIPUSNDMUTJNA-HNNXBMFYSA-N 2 0 349.479 1.970 20 0 EDADRP Cn1nnnc1CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000671751293 486741979 /nfs/dbraw/zinc/74/19/79/486741979.db2.gz YBRXQNVUEIUIPL-UHFFFAOYSA-N 2 0 328.464 1.785 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)c1ccccc1 ZINC000672667928 486757457 /nfs/dbraw/zinc/75/74/57/486757457.db2.gz XENNNZGZVOYXKA-KRWDZBQOSA-N 2 0 348.491 1.387 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(O)ccc2C1 ZINC000683719428 486800151 /nfs/dbraw/zinc/80/01/51/486800151.db2.gz QMSPBSDICGMRHN-QGZVFWFLSA-N 2 0 348.491 1.384 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[NH+](CCO)C(C)(C)C2)C1 ZINC000672836753 486813816 /nfs/dbraw/zinc/81/38/16/486813816.db2.gz XCTAEJKGJGANEY-MRXNPFEDSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(C)(C)C ZINC000672877062 486826687 /nfs/dbraw/zinc/82/66/87/486826687.db2.gz ONDKLBXCVJMKRR-OAHLLOKOSA-N 2 0 342.528 1.451 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000667559939 486846915 /nfs/dbraw/zinc/84/69/15/486846915.db2.gz XCVVVFGAHHURBL-AWEZNQCLSA-N 2 0 332.448 1.117 20 0 EDADRP c1c[nH]c(N2CC[NH+](CCCOc3ccc4c(c3)OCO4)CC2)n1 ZINC000683895053 486855770 /nfs/dbraw/zinc/85/57/70/486855770.db2.gz AEDKPOJETRKUHS-UHFFFAOYSA-N 2 0 330.388 1.730 20 0 EDADRP CC[C@@H](C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1)[NH+](CC)CC ZINC000680842520 486868189 /nfs/dbraw/zinc/86/81/89/486868189.db2.gz LKUIWPFGSPHPCM-KSZLIROESA-N 2 0 338.540 1.782 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+](CC)CC ZINC000670393266 486892051 /nfs/dbraw/zinc/89/20/51/486892051.db2.gz SYZBCZVDITXRSC-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC[C@@H]3C[NH2+]CCCO3)ccc21 ZINC000667662122 486903625 /nfs/dbraw/zinc/90/36/25/486903625.db2.gz TVPNGZQQICSKJW-DOTOQJQBSA-N 2 0 332.448 1.736 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)C2)C1 ZINC000667802317 486971657 /nfs/dbraw/zinc/97/16/57/486971657.db2.gz LUKJMFXWYFIROT-SFHVURJKSA-N 2 0 329.448 1.677 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cc(C2CC2)no1 ZINC000667812806 486977776 /nfs/dbraw/zinc/97/77/76/486977776.db2.gz XIYUNAXLKMOVPF-MRXNPFEDSA-N 2 0 348.491 1.969 20 0 EDADRP c1cc2n(n1)C[C@@H](C[NH2+]CC1CCN(c3cc[nH+]cc3)CC1)CN2 ZINC000684202217 486984578 /nfs/dbraw/zinc/98/45/78/486984578.db2.gz ROMODAUCQGHOKU-INIZCTEOSA-N 2 0 326.448 1.826 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCCN1Cc1ccccn1 ZINC000673640514 487074092 /nfs/dbraw/zinc/07/40/92/487074092.db2.gz ICGXLAGPIUCTAZ-NXHRZFHOSA-N 2 0 328.460 1.789 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000677484673 487099769 /nfs/dbraw/zinc/09/97/69/487099769.db2.gz OCPLNBHWBIKLCO-SFHVURJKSA-N 2 0 347.507 1.308 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)CN2CCN(C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000674323145 487235891 /nfs/dbraw/zinc/23/58/91/487235891.db2.gz JJKWOZISYFFUCU-IEBWSBKVSA-N 2 0 344.503 1.403 20 0 EDADRP C[NH+](C)CCOc1ccc(CN2CC[NH+]([C@H]3CCC[C@H]3O)CC2)cc1 ZINC000678237032 487269198 /nfs/dbraw/zinc/26/91/98/487269198.db2.gz CLWDOPPBNPPCKD-VQTJNVASSA-N 2 0 347.503 1.658 20 0 EDADRP CN(c1ccccc1C[N@H+]1C[C@H](O)C[C@H](O)C1)C1CC[NH+](C)CC1 ZINC000678299048 487284746 /nfs/dbraw/zinc/28/47/46/487284746.db2.gz YCKKBPBTHSSUHN-HDICACEKSA-N 2 0 333.476 1.145 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@@H]1C ZINC000674745697 487308008 /nfs/dbraw/zinc/30/80/08/487308008.db2.gz WWKSDCBXXVQUHA-HOCLYGCPSA-N 2 0 336.484 1.781 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000675194061 487387609 /nfs/dbraw/zinc/38/76/09/487387609.db2.gz JLWLLVDCMRMPAW-BRWVUGGUSA-N 2 0 338.496 1.101 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000676048832 487468770 /nfs/dbraw/zinc/46/87/70/487468770.db2.gz VQLLQTPMPHSGIU-GVDBMIGSSA-N 2 0 338.496 1.148 20 0 EDADRP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557204 485561085 /nfs/dbraw/zinc/56/10/85/485561085.db2.gz YJKWRPKZNIHIGI-FGTMMUONSA-N 2 0 330.476 1.935 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669561168 485568851 /nfs/dbraw/zinc/56/88/51/485568851.db2.gz TUAIWADPNZWAHX-OQIJWPOYSA-N 2 0 342.487 1.900 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000669570401 485589445 /nfs/dbraw/zinc/58/94/45/485589445.db2.gz GMPPMFOKTHLZST-MSOLQXFVSA-N 2 0 346.475 1.268 20 0 EDADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@@H](N2CCOCC2)CC1)C1CC1 ZINC000670987587 485613981 /nfs/dbraw/zinc/61/39/81/485613981.db2.gz XZIJOCZHSQSUHQ-FUHWJXTLSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)CCO1 ZINC000669587432 485639345 /nfs/dbraw/zinc/63/93/45/485639345.db2.gz FGSSAEARTZWNKY-ONIAQPFYSA-N 2 0 346.475 1.407 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000669121655 485702719 /nfs/dbraw/zinc/70/27/19/485702719.db2.gz RQROPPIJKVBBGO-SOUVJXGZSA-N 2 0 334.464 1.442 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000669236501 485846042 /nfs/dbraw/zinc/84/60/42/485846042.db2.gz OGVHCBPCUUBAOF-ONEGZZNKSA-N 2 0 345.491 1.138 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)cc1 ZINC000668542966 485872421 /nfs/dbraw/zinc/87/24/21/485872421.db2.gz TUADQAZGDSUOCQ-WMZOPIPTSA-N 2 0 331.460 1.728 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000668625449 485966270 /nfs/dbraw/zinc/96/62/70/485966270.db2.gz QHGVFHQJWJNVOG-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000668649578 485994308 /nfs/dbraw/zinc/99/43/08/485994308.db2.gz VFTTWMBOJZISGU-KZNAEPCWSA-N 2 0 332.492 1.928 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1)c1cccc(F)c1 ZINC000668654316 485999716 /nfs/dbraw/zinc/99/97/16/485999716.db2.gz HZPAMVLEVNWUCI-IAOVAPTHSA-N 2 0 334.439 1.822 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)c1 ZINC000668678505 486033111 /nfs/dbraw/zinc/03/31/11/486033111.db2.gz YYKXWWUUVDXMDT-SFHVURJKSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000283857761 486080642 /nfs/dbraw/zinc/08/06/42/486080642.db2.gz GBZZGJVVPOCKLX-RHSMWYFYSA-N 2 0 346.475 1.004 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000669418665 486138146 /nfs/dbraw/zinc/13/81/46/486138146.db2.gz XXXSBWVKOXNVIB-MAUKXSAKSA-N 2 0 330.476 1.875 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000669426287 486147507 /nfs/dbraw/zinc/14/75/07/486147507.db2.gz BVODVJVPGLIILS-IRXDYDNUSA-N 2 0 346.475 1.378 20 0 EDADRP Cc1ncc(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCC3)CC2)n1C ZINC000668156367 486180892 /nfs/dbraw/zinc/18/08/92/486180892.db2.gz NUQHFQASYHNKMW-UHFFFAOYSA-N 2 0 347.507 1.543 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000669474140 486228188 /nfs/dbraw/zinc/22/81/88/486228188.db2.gz FECCWFBGHBNDHT-VYDXJSESSA-N 2 0 334.464 1.265 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261695148 486646750 /nfs/dbraw/zinc/64/67/50/486646750.db2.gz HXNWYQICQLPUBQ-XWTMOSNGSA-N 2 0 336.524 1.521 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[N@@H+]1C1CC1 ZINC000119209278 490995292 /nfs/dbraw/zinc/99/52/92/490995292.db2.gz MVMYBUMDHQBGGY-CAOSSQGBSA-N 2 0 338.496 1.410 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000073643042 491008998 /nfs/dbraw/zinc/00/89/98/491008998.db2.gz ZAHXIERJRVDZQD-QGZVFWFLSA-N 2 0 347.507 1.440 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000173789086 528989296 /nfs/dbraw/zinc/98/92/96/528989296.db2.gz XYLDNDROQRCIFF-UHFFFAOYSA-N 2 0 345.491 1.892 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000183762605 528995064 /nfs/dbraw/zinc/99/50/64/528995064.db2.gz HZYGHIKGHLNVKP-RBUKOAKNSA-N 2 0 345.487 1.744 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(O)c1 ZINC000174195835 529098998 /nfs/dbraw/zinc/09/89/98/529098998.db2.gz WPHRFWDHKCRECL-KRWDZBQOSA-N 2 0 348.491 1.950 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000097174579 534941235 /nfs/dbraw/zinc/94/12/35/534941235.db2.gz VBYKOYMFVRKMLA-INIZCTEOSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000339613489 534948407 /nfs/dbraw/zinc/94/84/07/534948407.db2.gz GCSZBYIUYQPNAC-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1CN1CC[NH+](CC)CC1 ZINC000236818931 535046670 /nfs/dbraw/zinc/04/66/70/535046670.db2.gz ROTISSXZBSJTGD-IBGZPJMESA-N 2 0 346.519 1.958 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000263241330 535051365 /nfs/dbraw/zinc/05/13/65/535051365.db2.gz LGZMPHKESBGOFC-AEFFLSMTSA-N 2 0 346.475 1.039 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000247253421 535121112 /nfs/dbraw/zinc/12/11/12/535121112.db2.gz PUXHSMJNQWNUMG-DLBZAZTESA-N 2 0 340.512 1.326 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CCC(=O)N(C)CC(=O)OC)CC1 ZINC000347987833 535497542 /nfs/dbraw/zinc/49/75/42/535497542.db2.gz CMAXLCRVDVERCK-UHFFFAOYSA-N 2 0 327.469 1.062 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC1 ZINC000340374838 535663934 /nfs/dbraw/zinc/66/39/34/535663934.db2.gz POTHDKWNBBFRAD-MJGOQNOKSA-N 2 0 330.476 1.186 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH+](C)C)C1)CC(C)C ZINC000340000266 535669377 /nfs/dbraw/zinc/66/93/77/535669377.db2.gz ICOSGKFHNUEDOO-CVEARBPZSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])C1CCOCC1)Cc1ccccc1 ZINC000261634338 535676942 /nfs/dbraw/zinc/67/69/42/535676942.db2.gz DBBIMUARIINWLQ-RBUKOAKNSA-N 2 0 347.503 1.810 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NCC1(COC)CC[NH2+]CC1)c1ccccc1 ZINC000261820031 535759058 /nfs/dbraw/zinc/75/90/58/535759058.db2.gz XTYFVMCIPVGTTK-QGZVFWFLSA-N 2 0 333.476 1.812 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)c1ccccc1 ZINC000246288369 535763194 /nfs/dbraw/zinc/76/31/94/535763194.db2.gz ALNRTHQYWBHICS-HKUYNNGSSA-N 2 0 346.519 1.679 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)Cc1ccccc1 ZINC000340176954 535855764 /nfs/dbraw/zinc/85/57/64/535855764.db2.gz JHXZXXNXJUPKNP-UHFFFAOYSA-N 2 0 339.505 1.474 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C(C)(C)C ZINC000262896904 535923956 /nfs/dbraw/zinc/92/39/56/535923956.db2.gz XJUBMPGACQBMFL-GOEBONIOSA-N 2 0 335.496 1.904 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)C[C@H]2CSCC[NH2+]2)ccc1F ZINC000237048036 535987839 /nfs/dbraw/zinc/98/78/39/535987839.db2.gz UINLFCFXAGCOPV-AWEZNQCLSA-N 2 0 325.453 1.599 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000082991709 536023249 /nfs/dbraw/zinc/02/32/49/536023249.db2.gz FTVTULTWWVVEJL-UHFFFAOYSA-N 2 0 331.460 1.685 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000237074881 536040542 /nfs/dbraw/zinc/04/05/42/536040542.db2.gz FISXYVLEURZWJY-UHFFFAOYSA-N 2 0 328.420 1.517 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CC4)CC3)CC[C@H]21 ZINC000246927961 536378427 /nfs/dbraw/zinc/37/84/27/536378427.db2.gz NDWUBFLRBVKRAS-SJLPKXTDSA-N 2 0 334.508 1.987 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000262903689 536571380 /nfs/dbraw/zinc/57/13/80/536571380.db2.gz PXPCXZIWFWDVLZ-INIZCTEOSA-N 2 0 337.489 1.580 20 0 EDADRP COCCOc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000262122187 536707799 /nfs/dbraw/zinc/70/77/99/536707799.db2.gz XIZQTWNMVVGCRS-KRWDZBQOSA-N 2 0 349.475 1.531 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000743978492 579496000 /nfs/dbraw/zinc/49/60/00/579496000.db2.gz JDTGKVCRLQWZMV-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000759965867 580020561 /nfs/dbraw/zinc/02/05/61/580020561.db2.gz JAXQSDDVYOPZHE-OAHLLOKOSA-N 2 0 325.478 1.293 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@H]1C[NH+]2CCC[C@H]2CO1 ZINC000732677805 578723029 /nfs/dbraw/zinc/72/30/29/578723029.db2.gz ZCQYUULSNQSYII-NXOAAHMSSA-N 2 0 336.480 1.118 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734272622 578804132 /nfs/dbraw/zinc/80/41/32/578804132.db2.gz GGHPGCSLSLQMNV-NVXWUHKLSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCOC1CCC1 ZINC000745906920 579567242 /nfs/dbraw/zinc/56/72/42/579567242.db2.gz TVKXJAYFZQOPEH-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C[C@@H]1C ZINC000748972216 579708896 /nfs/dbraw/zinc/70/88/96/579708896.db2.gz WWRUTWVOBLKOLV-LUKYLMHMSA-N 2 0 338.496 1.364 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118093 579713701 /nfs/dbraw/zinc/71/37/01/579713701.db2.gz XJCPOHFAYOZCAW-GJZGRUSLSA-N 2 0 337.430 1.649 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000749200856 579716303 /nfs/dbraw/zinc/71/63/03/579716303.db2.gz ARCIAEXQXIJBLI-KRWDZBQOSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)NC4(CCCCC4)C3=O)C2)CC1 ZINC000755779000 579934802 /nfs/dbraw/zinc/93/48/02/579934802.db2.gz HJKKEEKCGWZFKU-MRXNPFEDSA-N 2 0 348.491 1.862 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1(C)COC(C)(C)OC1 ZINC000767172427 580182982 /nfs/dbraw/zinc/18/29/82/580182982.db2.gz DPMKHERKFJKZRW-UHFFFAOYSA-N 2 0 343.512 1.508 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000776513297 580418985 /nfs/dbraw/zinc/41/89/85/580418985.db2.gz MVPLOLDKVKRTQZ-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCC=CO1 ZINC000780748198 580532853 /nfs/dbraw/zinc/53/28/53/580532853.db2.gz KQXXZONUUJBXAO-IAGOWNOFSA-N 2 0 338.496 1.737 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000799336850 581025830 /nfs/dbraw/zinc/02/58/30/581025830.db2.gz RAHFBWWRHFYBSC-NSHDSACASA-N 2 0 331.386 1.687 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019895 590750764 /nfs/dbraw/zinc/75/07/64/590750764.db2.gz PVCUPVNKHRQKSN-MNEFBYGVSA-N 2 0 342.487 1.779 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000892049758 590772178 /nfs/dbraw/zinc/77/21/78/590772178.db2.gz YNLWJZMFNHMBCP-ZTFGCOKTSA-N 2 0 330.476 1.791 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC1=CC[NH2+]CC1 ZINC000892102445 590799420 /nfs/dbraw/zinc/79/94/20/590799420.db2.gz YTHMXWZVCAMAGJ-HNNXBMFYSA-N 2 0 329.448 1.612 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ncc(Br)cc1O ZINC000893368111 590811431 /nfs/dbraw/zinc/81/14/31/590811431.db2.gz SVPSTKQJOCGBFK-LBPRGKRZSA-N 2 0 346.269 1.996 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000892167997 590840680 /nfs/dbraw/zinc/84/06/80/590840680.db2.gz SBWTXQDWHDPSAO-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3C)CCSC1 ZINC000893415878 590855904 /nfs/dbraw/zinc/85/59/04/590855904.db2.gz HHGFDXXMMOFXJQ-LZWOXQAQSA-N 2 0 326.510 1.302 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000892250474 590886448 /nfs/dbraw/zinc/88/64/48/590886448.db2.gz JHQRZZKMMZGXAS-INIZCTEOSA-N 2 0 332.448 1.623 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H]([NH3+])C[C@H]2C)cc1 ZINC000892257463 590890234 /nfs/dbraw/zinc/89/02/34/590890234.db2.gz MBPZQMDGETWREP-IRWJRLHMSA-N 2 0 332.448 1.272 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000892266389 590899249 /nfs/dbraw/zinc/89/92/49/590899249.db2.gz GUQJRODLEADSRS-IRXDYDNUSA-N 2 0 344.459 1.493 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000909397157 590942064 /nfs/dbraw/zinc/94/20/64/590942064.db2.gz OGPFJXQLFCHPGI-DLBZAZTESA-N 2 0 336.524 1.536 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N2CC[NH+](C3CCOCC3)CC2)[NH2+]C1 ZINC000892389269 591006504 /nfs/dbraw/zinc/00/65/04/591006504.db2.gz LPWPHNYWBVGQNU-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+][C@@H](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000892407916 591015343 /nfs/dbraw/zinc/01/53/43/591015343.db2.gz JAIQXVOLNGAYLF-ZWKOTPCHSA-N 2 0 348.491 1.093 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N1CC[NH2+]CCC12CCC2)Cc1ccccc1 ZINC000892413746 591018720 /nfs/dbraw/zinc/01/87/20/591018720.db2.gz HZNXPDVRZKEUSY-KRWDZBQOSA-N 2 0 330.476 1.874 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892484348 591043392 /nfs/dbraw/zinc/04/33/92/591043392.db2.gz CAZFZBHZBXJHKP-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCO1 ZINC000892487280 591044963 /nfs/dbraw/zinc/04/49/63/591044963.db2.gz WRZQBODMSTUZQR-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000892500891 591051350 /nfs/dbraw/zinc/05/13/50/591051350.db2.gz GKLSRAHGEDAVPN-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)Cc1ccccc1 ZINC000891348864 591054293 /nfs/dbraw/zinc/05/42/93/591054293.db2.gz QTFBPIYHASKSTK-BZSNNMDCSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C[NH+]1CCCC1 ZINC000891385477 591066009 /nfs/dbraw/zinc/06/60/09/591066009.db2.gz OFNDWPCBMMUEAF-HOTGVXAUSA-N 2 0 338.496 1.176 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000891439157 591073843 /nfs/dbraw/zinc/07/38/43/591073843.db2.gz CVNSCZKYGTWFHG-QGZVFWFLSA-N 2 0 348.491 1.357 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CC2)CC1 ZINC000891463437 591080228 /nfs/dbraw/zinc/08/02/28/591080228.db2.gz XUGZMZLHJQJJBZ-GDBMZVCRSA-N 2 0 337.512 1.114 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC2(C[NH3+])CCCCC2)CC1 ZINC000891492089 591092279 /nfs/dbraw/zinc/09/22/79/591092279.db2.gz DYMGBQWCDWRHRH-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891538919 591113273 /nfs/dbraw/zinc/11/32/73/591113273.db2.gz WVYJUZAJJIGPRO-HZPDHXFCSA-N 2 0 338.496 1.319 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]([NH3+])C[C@H]2C)[C@@H](C)C1 ZINC000891563876 591127282 /nfs/dbraw/zinc/12/72/82/591127282.db2.gz JLENDXMETQGNCM-JJXSEGSLSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CCSC1 ZINC000891638953 591162014 /nfs/dbraw/zinc/16/20/14/591162014.db2.gz OCGRZKAABISERB-SFHVURJKSA-N 2 0 348.516 1.569 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCC1(F)F)NC1CC[NH+](C2CCCC2)CC1 ZINC000891643169 591164934 /nfs/dbraw/zinc/16/49/34/591164934.db2.gz DIBWVGOCWRUBOM-ZDUSSCGKSA-N 2 0 344.450 1.937 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000894032197 591172329 /nfs/dbraw/zinc/17/23/29/591172329.db2.gz VILNYVIIAWWAPE-UHFFFAOYSA-N 2 0 340.489 1.538 20 0 EDADRP COc1ccc(C)cc1CN1CCN(C(=O)NCCC(C)(C)[NH3+])CC1 ZINC000892861657 591206377 /nfs/dbraw/zinc/20/63/77/591206377.db2.gz SVZZDSLMEBWQQS-UHFFFAOYSA-N 2 0 348.491 1.958 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891749692 591209555 /nfs/dbraw/zinc/20/95/55/591209555.db2.gz VFNZQWMWEIOPTA-IEBWSBKVSA-N 2 0 343.475 1.882 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892879548 591214664 /nfs/dbraw/zinc/21/46/64/591214664.db2.gz POGSZHPXVNBDGO-UHFFFAOYSA-N 2 0 339.509 1.790 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892883626 591216553 /nfs/dbraw/zinc/21/65/53/591216553.db2.gz XDOHKCWAAQXEOU-LBPRGKRZSA-N 2 0 337.493 1.542 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C1=CC[N@H+](C)CC1 ZINC000891766433 591216600 /nfs/dbraw/zinc/21/66/00/591216600.db2.gz UDQJOCRERCFCLH-CYZMBNFOSA-N 2 0 334.386 1.415 20 0 EDADRP C[C@H](CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)[NH+]1CCCCC1 ZINC000891777128 591221702 /nfs/dbraw/zinc/22/17/02/591221702.db2.gz LZCYHBGTWBUNDY-KGLIPLIRSA-N 2 0 332.439 1.795 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891778685 591221705 /nfs/dbraw/zinc/22/17/05/591221705.db2.gz JUAHWUJMJVRCHP-MUJYYYPQSA-N 2 0 326.485 1.175 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000891781260 591222422 /nfs/dbraw/zinc/22/24/22/591222422.db2.gz YEEZBGQFSKYYFC-GOSISDBHSA-N 2 0 342.528 1.751 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC3(C[C@@H]2F)OCCO3)CC1 ZINC000892929061 591228279 /nfs/dbraw/zinc/22/82/79/591228279.db2.gz RTFGKEKXFALDIX-IXDOHACOSA-N 2 0 343.487 1.483 20 0 EDADRP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894342438 591284480 /nfs/dbraw/zinc/28/44/80/591284480.db2.gz MOTRGHPENXPJIV-SECBINFHSA-N 2 0 329.347 1.423 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC000897429102 591409397 /nfs/dbraw/zinc/40/93/97/591409397.db2.gz ZOKCBVVAHLXAJD-INIZCTEOSA-N 2 0 338.496 1.082 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC000898579539 591420838 /nfs/dbraw/zinc/42/08/38/591420838.db2.gz QDLAGINMQQNFFW-IBGZPJMESA-N 2 0 335.492 1.480 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000897437022 591427383 /nfs/dbraw/zinc/42/73/83/591427383.db2.gz FNXKKEYOTXAIBZ-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000897466109 591466728 /nfs/dbraw/zinc/46/67/28/591466728.db2.gz OCVAPRKYEMBJAR-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@]12C[C@H]1COC21CCC1 ZINC000898676576 591472057 /nfs/dbraw/zinc/47/20/57/591472057.db2.gz PYCMUZNSTRWYGQ-DOTOQJQBSA-N 2 0 338.496 1.128 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC[N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000897480214 591485729 /nfs/dbraw/zinc/48/57/29/591485729.db2.gz UANKCLKWKDOQNI-OAHLLOKOSA-N 2 0 347.463 1.406 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3C)CC[NH+](C)CC1 ZINC000894951251 591497036 /nfs/dbraw/zinc/49/70/36/591497036.db2.gz JQIMYBBGLJHIJE-GJZGRUSLSA-N 2 0 340.537 1.692 20 0 EDADRP C[N@@H+]1CCCC[C@H](CNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000897548748 591547518 /nfs/dbraw/zinc/54/75/18/591547518.db2.gz NFKHSSLBMLVRRZ-SJORKVTESA-N 2 0 338.496 1.082 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897548721 591547661 /nfs/dbraw/zinc/54/76/61/591547661.db2.gz MQSTYIDZCJBVQS-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CCC[NH+]4CCSC[C@H]34)C[C@]2(C)C1 ZINC000896610953 591548086 /nfs/dbraw/zinc/54/80/86/591548086.db2.gz ZQHOSTLCGRKFLF-ANQUJSFKSA-N 2 0 338.521 1.159 20 0 EDADRP CN(C(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12)[C@H]1CCC[N@H+](C)C1 ZINC000896608971 591552016 /nfs/dbraw/zinc/55/20/16/591552016.db2.gz KPCAIKWCAVJEKB-SOUVJXGZSA-N 2 0 326.510 1.302 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000895306425 591706510 /nfs/dbraw/zinc/70/65/10/591706510.db2.gz JJXOKBCHTVQPPV-GOSISDBHSA-N 2 0 336.476 1.547 20 0 EDADRP C[C@H](Cc1cccnc1)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000897969637 591726738 /nfs/dbraw/zinc/72/67/38/591726738.db2.gz LYMQYHFESLJZIB-QGZVFWFLSA-N 2 0 332.492 1.399 20 0 EDADRP C[N@@H+]1C[C@@H]2CN([C@H]3CC(=O)N(Cc4ccccc4)C3=O)C[C@]2(C)C1 ZINC000899251997 591750159 /nfs/dbraw/zinc/75/01/59/591750159.db2.gz FXJPXFLPEQTZCX-GJYPPUQNSA-N 2 0 327.428 1.198 20 0 EDADRP COC(=O)c1cnc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)s1 ZINC000895442944 591756648 /nfs/dbraw/zinc/75/66/48/591756648.db2.gz HRIILYFMHDOOEB-UHFFFAOYSA-N 2 0 347.444 1.689 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1 ZINC000895445867 591760588 /nfs/dbraw/zinc/76/05/88/591760588.db2.gz JTEIIJRVEXMUDO-SFHVURJKSA-N 2 0 331.460 1.516 20 0 EDADRP CC1(C)CC[N@H+](CCNC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000898034974 591763371 /nfs/dbraw/zinc/76/33/71/591763371.db2.gz FEPCLVUJLHLJNT-UHFFFAOYSA-N 2 0 338.540 1.105 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)nc[nH]1 ZINC000898151641 591804346 /nfs/dbraw/zinc/80/43/46/591804346.db2.gz SEZBCTWSWVHQNV-ZDUSSCGKSA-N 2 0 337.387 1.131 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC(CC)([NH+]3CCC3)CC2)CC1 ZINC000899562781 591847188 /nfs/dbraw/zinc/84/71/88/591847188.db2.gz FUWICIFRYLYSJB-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898298719 591863286 /nfs/dbraw/zinc/86/32/86/591863286.db2.gz SZYFFNVOLPVAIN-SFHVURJKSA-N 2 0 338.411 1.906 20 0 EDADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCCn3ccc(=O)[nH]c3=O)CC2)C1 ZINC000898333447 591875436 /nfs/dbraw/zinc/87/54/36/591875436.db2.gz TVILHWKWQZMIKG-NVXWUHKLSA-N 2 0 348.491 1.972 20 0 EDADRP C/C(=C/C(=O)NCc1cccc(C[NH+](C)C)c1)CN1CCOCC1 ZINC000900087322 591896294 /nfs/dbraw/zinc/89/62/94/591896294.db2.gz JLTXLCQELBRAHN-WJDWOHSUSA-N 2 0 331.460 1.643 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900219128 591947475 /nfs/dbraw/zinc/94/74/75/591947475.db2.gz RFHILMGEEINQQN-CALCHBBNSA-N 2 0 349.523 1.933 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)c1 ZINC000900252236 591960635 /nfs/dbraw/zinc/96/06/35/591960635.db2.gz QLJGZCHJZUWAKD-HXUWFJFHSA-N 2 0 347.503 1.991 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1(O)CCOCC1 ZINC000899867644 591966157 /nfs/dbraw/zinc/96/61/57/591966157.db2.gz RSTDXCZYWUMYAX-IBGZPJMESA-N 2 0 348.487 1.665 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@H](O)C3(O)CCC3)cc2)C[C@@H](C)O1 ZINC000899870286 591966519 /nfs/dbraw/zinc/96/65/19/591966519.db2.gz LRWAFVRFUBYYPY-MDZRGWNJSA-N 2 0 348.487 1.661 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909642 591977263 /nfs/dbraw/zinc/97/72/63/591977263.db2.gz FZCUZFYQHJAYAC-QGZVFWFLSA-N 2 0 347.459 1.555 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H](O)CS(=O)(=O)c2cccs2)C1 ZINC000902358921 591986459 /nfs/dbraw/zinc/98/64/59/591986459.db2.gz BAZAVBOIYWDXOF-QWHCGFSZSA-N 2 0 346.518 1.251 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900433016 592017061 /nfs/dbraw/zinc/01/70/61/592017061.db2.gz CGLZWMIUOWURCR-LJQANCHMSA-N 2 0 349.475 1.090 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CON=C(N)CCC(F)(F)F)CC1 ZINC000902611259 592025590 /nfs/dbraw/zinc/02/55/90/592025590.db2.gz IVPRZSPKVSZANN-UHFFFAOYSA-N 2 0 338.374 1.816 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900469150 592027192 /nfs/dbraw/zinc/02/71/92/592027192.db2.gz ZRNLRRCAQLKUPD-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP CCn1cc(CONC(=[NH2+])[C@@H]2CN(Cc3ccccc3)CCO2)nn1 ZINC000902727605 592053109 /nfs/dbraw/zinc/05/31/09/592053109.db2.gz XXTABENGDNITOA-INIZCTEOSA-N 2 0 344.419 1.197 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000900563579 592053444 /nfs/dbraw/zinc/05/34/44/592053444.db2.gz YJZONEQDHIDQEV-LMMKCTJWSA-N 2 0 337.508 1.556 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900696493 592089031 /nfs/dbraw/zinc/08/90/31/592089031.db2.gz SZOZAERUXCCCNE-FGTMMUONSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900682778 592092978 /nfs/dbraw/zinc/09/29/78/592092978.db2.gz HUCPHQODPPHBCT-ZWKOTPCHSA-N 3 0 338.540 1.735 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@@H]1C[NH+](C)CCN1C ZINC000900809938 592131533 /nfs/dbraw/zinc/13/15/33/592131533.db2.gz FPEGVTJTIJLPHB-LULLPPNCSA-N 2 0 344.503 1.082 20 0 EDADRP C[C@H]([NH2+]CCN1CCCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000903229287 592144191 /nfs/dbraw/zinc/14/41/91/592144191.db2.gz XLADICIOJWHSPC-KRWDZBQOSA-N 2 0 335.492 2.000 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000900900996 592165175 /nfs/dbraw/zinc/16/51/75/592165175.db2.gz NLFXCJFUVSFSCB-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN[C@@H]1CC[NH2+]C12CCC2)c1ccccc1 ZINC000903470827 592175491 /nfs/dbraw/zinc/17/54/91/592175491.db2.gz DQQHINULKZEDPN-IAGOWNOFSA-N 2 0 330.476 1.280 20 0 EDADRP CC(C)(C)n1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nn1 ZINC000903505482 592181955 /nfs/dbraw/zinc/18/19/55/592181955.db2.gz DDFDAEUWYPSTGO-CALCHBBNSA-N 2 0 332.496 1.434 20 0 EDADRP O=C(C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)Nc1cccc(F)c1 ZINC000903522636 592196412 /nfs/dbraw/zinc/19/64/12/592196412.db2.gz VDSAWTVJKGQQHG-QAPCUYQASA-N 2 0 348.422 1.001 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[C@H](C(F)(F)F)[C@H]([NH3+])C2)cc1 ZINC000903541206 592202077 /nfs/dbraw/zinc/20/20/77/592202077.db2.gz TVPKNEZZYSBAQF-VHDGCEQUSA-N 2 0 331.382 1.949 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)CC1 ZINC000901026909 592203705 /nfs/dbraw/zinc/20/37/05/592203705.db2.gz QNERNOYYQHFKGU-WMZOPIPTSA-N 2 0 336.524 1.392 20 0 EDADRP C[NH2+]C[C@@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000903529373 592206680 /nfs/dbraw/zinc/20/66/80/592206680.db2.gz ZKCJEVOOTQUNRW-ZWKOTPCHSA-N 2 0 332.492 1.479 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]([C@]3(C)COC(=O)N3)C2)cc1 ZINC000903562002 592210663 /nfs/dbraw/zinc/21/06/63/592210663.db2.gz UOHPBAXMGLFHCY-GJYPPUQNSA-N 2 0 347.459 1.948 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1C[C@H](C[NH3+])Cc2cc(F)ccc21 ZINC000903589538 592220409 /nfs/dbraw/zinc/22/04/09/592220409.db2.gz WWVZDCQORGFRKO-LBPRGKRZSA-N 2 0 329.441 1.045 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCCC[C@H]2C2(C[NH3+])CCC2)cn1 ZINC000904360437 592238121 /nfs/dbraw/zinc/23/81/21/592238121.db2.gz KPHHZJJEXBJTDI-INIZCTEOSA-N 2 0 348.495 1.960 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906669111 592250558 /nfs/dbraw/zinc/25/05/58/592250558.db2.gz QCEICRUEGLIERD-MRXNPFEDSA-N 2 0 346.475 1.760 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000904416934 592252776 /nfs/dbraw/zinc/25/27/76/592252776.db2.gz UJESUHNUMOWFKH-SJLPKXTDSA-N 3 0 346.523 1.804 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000906677116 592257864 /nfs/dbraw/zinc/25/78/64/592257864.db2.gz JTQJCOIANSFNKB-QZTJIDSGSA-N 2 0 338.540 1.498 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC[C@@H]4CC[C@@]43C[NH3+])cn2)CC1 ZINC000904535366 592281048 /nfs/dbraw/zinc/28/10/48/592281048.db2.gz IQUJIDOVUYGVLI-RDTXWAMCSA-N 2 0 346.479 1.885 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@@H]3C[C@H]4OCC[C@@H]4[NH2+]3)n2)c1 ZINC000904601233 592293261 /nfs/dbraw/zinc/29/32/61/592293261.db2.gz CUGKRNBFWHEKRK-HRCADAONSA-N 2 0 344.415 1.869 20 0 EDADRP CC(C)COC(=O)N1CCC[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903751616 592295685 /nfs/dbraw/zinc/29/56/85/592295685.db2.gz HKMSFTXPSRRRFF-WMZOPIPTSA-N 2 0 339.480 1.555 20 0 EDADRP COc1cc(F)ccc1N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903739264 592300841 /nfs/dbraw/zinc/30/08/41/592300841.db2.gz GKIKFOGCJNHMDC-LPHOPBHVSA-N 2 0 349.450 1.725 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000901260277 592316204 /nfs/dbraw/zinc/31/62/04/592316204.db2.gz YNRCQEAWIQXHPQ-KRWDZBQOSA-N 2 0 338.540 1.591 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1)C(C)C ZINC000903816025 592323985 /nfs/dbraw/zinc/32/39/85/592323985.db2.gz UEEJQGLQBFKPPW-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP CC(=O)N(C[C@H]1CCC[N@H+]1C[C@H](C[NH3+])Cc1cnn(C)c1C)C1CC1 ZINC000903915450 592370547 /nfs/dbraw/zinc/37/05/47/592370547.db2.gz YSDFXFYRMRJLSP-QFBILLFUSA-N 2 0 347.507 1.321 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(O[C@H]3CCOC3)CC2)cnn1C ZINC000903909927 592374746 /nfs/dbraw/zinc/37/47/46/592374746.db2.gz INQSRNYNDGRJBQ-QAPCUYQASA-N 2 0 336.480 1.116 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CNC[C@@H]2[NH2+]CCc3ccccc32)cnn1C ZINC000903920750 592376981 /nfs/dbraw/zinc/37/69/81/592376981.db2.gz WXFXPSASHSNEOY-KXBFYZLASA-N 2 0 327.476 1.323 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905050563 592381099 /nfs/dbraw/zinc/38/10/99/592381099.db2.gz PKTUJONNWWAYLJ-GOSISDBHSA-N 2 0 336.476 1.519 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@@H](O)C2(O)CCCC2)c2ccccc2)CC1 ZINC000905090464 592393413 /nfs/dbraw/zinc/39/34/13/592393413.db2.gz VSIIGZCWMQUKHE-RBUKOAKNSA-N 2 0 347.503 1.231 20 0 EDADRP O[C@H](CC[C@H](O)c1ccccc1)C[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000905075608 592403350 /nfs/dbraw/zinc/40/33/50/592403350.db2.gz JZEJKDMZNFRZNO-RDGPPVDQSA-N 2 0 334.460 1.314 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC1(O)CCCCC1 ZINC000905174579 592454894 /nfs/dbraw/zinc/45/48/94/592454894.db2.gz KTWSSRBSOQRTSE-RCCFBDPRSA-N 2 0 340.508 1.400 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000907000238 592470399 /nfs/dbraw/zinc/47/03/99/592470399.db2.gz WJRORUYMMIICDS-MRXNPFEDSA-N 2 0 325.497 1.460 20 0 EDADRP CSC1(C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC[NH+](C)CC1 ZINC000905263654 592481358 /nfs/dbraw/zinc/48/13/58/592481358.db2.gz OCJSAAOUORNUIN-IAGOWNOFSA-N 2 0 338.517 1.888 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@]1(O)CCOC1 ZINC000905240868 592485076 /nfs/dbraw/zinc/48/50/76/592485076.db2.gz AVWGVANQUHCOOG-CEXWTWQISA-N 2 0 334.460 1.001 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905347716 592501968 /nfs/dbraw/zinc/50/19/68/592501968.db2.gz BHYHINNHTXYXSK-IRXDYDNUSA-N 2 0 328.497 1.259 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[N@H+](C)C3(CCCCC3)C2)cn1 ZINC000908572446 592544071 /nfs/dbraw/zinc/54/40/71/592544071.db2.gz WLLHQJZSACVDNF-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000907306939 592578989 /nfs/dbraw/zinc/57/89/89/592578989.db2.gz QTSBYQZGNWUQAF-MJGOQNOKSA-N 2 0 339.524 1.802 20 0 EDADRP O[C@H](C[NH2+]CC1CC2(C1)OCCO2)CN1CCc2ccccc2C1 ZINC000905594444 592585533 /nfs/dbraw/zinc/58/55/33/592585533.db2.gz VYCLJRGKZKKSGC-GOSISDBHSA-N 2 0 332.444 1.148 20 0 EDADRP c1nc(N2CCCC2)cc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905705409 592617559 /nfs/dbraw/zinc/61/75/59/592617559.db2.gz WSWRXVDWPHRHLL-CALCHBBNSA-N 2 0 342.491 1.482 20 0 EDADRP CON1CC[C@H]([NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)C1=O ZINC000905761030 592638752 /nfs/dbraw/zinc/63/87/52/592638752.db2.gz WTNYNXXQBDBFQZ-ZWKOTPCHSA-N 2 0 347.459 1.184 20 0 EDADRP Cn1ccc(-n2cc(CN3CCC(C[NH+]4CCCC4)CC3)nn2)n1 ZINC000906254809 592765183 /nfs/dbraw/zinc/76/51/83/592765183.db2.gz QSCAWKDEQAVKTN-UHFFFAOYSA-N 2 0 329.452 1.309 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906337608 592798514 /nfs/dbraw/zinc/79/85/14/592798514.db2.gz CWHGMZSJWWWHQJ-UHFFFAOYSA-N 2 0 326.529 1.306 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1cnccn1 ZINC000906489837 592830966 /nfs/dbraw/zinc/83/09/66/592830966.db2.gz VONKFBDENDCXBG-CVEARBPZSA-N 2 0 333.480 1.455 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@]1(O)CCC[NH2+]C1)c1ccccc1 ZINC000911634085 592970730 /nfs/dbraw/zinc/97/07/30/592970730.db2.gz ZGKZTTLDZHECHM-PKOBYXMFSA-N 2 0 333.476 1.690 20 0 EDADRP [NH3+][C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)[C@H]2C[C@H]21 ZINC000911736350 592992813 /nfs/dbraw/zinc/99/28/13/592992813.db2.gz RNLBKZOHCUJCKZ-VVLHAWIVSA-N 2 0 343.427 1.517 20 0 EDADRP [NH3+][C@H](C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)C1CCCCCC1 ZINC000911736411 592993262 /nfs/dbraw/zinc/99/32/62/592993262.db2.gz QQQPYSVWCAHFPD-KRWDZBQOSA-N 2 0 331.464 1.727 20 0 EDADRP C[NH2+]CCCCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000911751974 592997359 /nfs/dbraw/zinc/99/73/59/592997359.db2.gz RBGIMDZGYGBYOL-AWEZNQCLSA-N 2 0 333.432 1.924 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000911866667 593024235 /nfs/dbraw/zinc/02/42/35/593024235.db2.gz ATGWUNZTAVZBIG-QGZVFWFLSA-N 2 0 333.476 1.770 20 0 EDADRP C[C@@]1(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[NH+]2CCC1CC2 ZINC000912380470 593089443 /nfs/dbraw/zinc/08/94/43/593089443.db2.gz UAGRKYCXZHKTPS-FXAWDEMLSA-N 2 0 342.487 1.894 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cnc(C3OCCO3)s2)CC1 ZINC000809632265 593351154 /nfs/dbraw/zinc/35/11/54/593351154.db2.gz MWCHCXNHYZKCBM-UHFFFAOYSA-N 2 0 340.493 1.306 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000811471479 593471539 /nfs/dbraw/zinc/47/15/39/593471539.db2.gz CQBIYQFDLZFKLT-GOSISDBHSA-N 2 0 343.487 1.768 20 0 EDADRP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnn(C)n3)CC2)cc1 ZINC000815120145 593616303 /nfs/dbraw/zinc/61/63/03/593616303.db2.gz CLWPGNWERSBJTD-UHFFFAOYSA-N 2 0 329.448 1.826 20 0 EDADRP [NH3+][C@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1CCC1 ZINC000817859004 593641821 /nfs/dbraw/zinc/64/18/21/593641821.db2.gz LAEDRQGAQMIGMU-INIZCTEOSA-N 2 0 331.416 1.661 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)Cc1ccccc1 ZINC000817891583 593645820 /nfs/dbraw/zinc/64/58/20/593645820.db2.gz DNKBULNUGDOPOX-JKSUJKDBSA-N 2 0 325.478 1.213 20 0 EDADRP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])ccc1S(=O)(=O)C(F)F ZINC000817963892 593652265 /nfs/dbraw/zinc/65/22/65/593652265.db2.gz XRTYZVHRCSCVOZ-UWVGGRQHSA-N 2 0 336.404 1.937 20 0 EDADRP CON(C)C(=O)CC[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000819121756 593740079 /nfs/dbraw/zinc/74/00/79/593740079.db2.gz OFQCBVUQDNMYER-UHFFFAOYSA-N 2 0 335.448 1.143 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CC3(CCC3)Oc3ccccc32)CC1 ZINC000819155233 593741790 /nfs/dbraw/zinc/74/17/90/593741790.db2.gz TZNHHZNUYIIPEO-FUHWJXTLSA-N 2 0 345.487 1.631 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4nn[nH]n4)s3)C2)CC1 ZINC000821621917 593883705 /nfs/dbraw/zinc/88/37/05/593883705.db2.gz LCWMSPPABGCTLP-LBPRGKRZSA-N 2 0 347.492 1.186 20 0 EDADRP COc1ccc(C[NH2+]CCC2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000821813551 593946709 /nfs/dbraw/zinc/94/67/09/593946709.db2.gz IONWXJSQJRUEDT-UHFFFAOYSA-N 2 0 330.436 1.697 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NC23CC[NH+](CC2)C3)cc1 ZINC000828004242 594320205 /nfs/dbraw/zinc/32/02/05/594320205.db2.gz SBGOHHXIELTRNK-UHFFFAOYSA-N 2 0 331.460 1.524 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)C1 ZINC000828139307 594349878 /nfs/dbraw/zinc/34/98/78/594349878.db2.gz PNSBOJZKRDAEGA-NVXWUHKLSA-N 2 0 344.459 1.450 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000829449815 594615709 /nfs/dbraw/zinc/61/57/09/594615709.db2.gz HDMGLTRLOPRSGV-KRWDZBQOSA-N 2 0 333.476 1.770 20 0 EDADRP C[C@@H](Cc1ccccc1Cl)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000840745712 594814176 /nfs/dbraw/zinc/81/41/76/594814176.db2.gz OFHWDBKEGAXZSM-HOCLYGCPSA-N 2 0 325.884 1.469 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000841017589 594839937 /nfs/dbraw/zinc/83/99/37/594839937.db2.gz GFCGLAXLNJEXQD-UHFFFAOYSA-N 2 0 345.491 1.950 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000841020731 594840903 /nfs/dbraw/zinc/84/09/03/594840903.db2.gz UTNLOHLDMGMMHQ-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000841455446 594902716 /nfs/dbraw/zinc/90/27/16/594902716.db2.gz SGIIUPHFWIGSRX-JXMROGBWSA-N 2 0 331.460 1.851 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847360 594964716 /nfs/dbraw/zinc/96/47/16/594964716.db2.gz VGKIJEGWHDBEBT-MELADBBJSA-N 2 0 331.416 1.532 20 0 EDADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000841850221 594965269 /nfs/dbraw/zinc/96/52/69/594965269.db2.gz FJEBYRSMWPRMCP-MRXNPFEDSA-N 2 0 340.427 1.794 20 0 EDADRP CC[NH+](CC)CCOc1ccc(-c2noc(CC[NH3+])n2)cc1OC ZINC000843201999 595032190 /nfs/dbraw/zinc/03/21/90/595032190.db2.gz LHPXLOHNOUWDTG-UHFFFAOYSA-N 2 0 334.420 1.967 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000843261542 595056309 /nfs/dbraw/zinc/05/63/09/595056309.db2.gz LRBLBENJUCNWTG-INIZCTEOSA-N 2 0 338.496 1.099 20 0 EDADRP COc1ccc(CNC(=O)C[N@H+](C)C2CCC([NH3+])CC2)cc1OC ZINC000843353642 595084303 /nfs/dbraw/zinc/08/43/03/595084303.db2.gz GBVIZTXNALMXBM-UHFFFAOYSA-N 2 0 335.448 1.522 20 0 EDADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386303 595096397 /nfs/dbraw/zinc/09/63/97/595096397.db2.gz FJRCSDPFAFXDCX-JKSUJKDBSA-N 2 0 332.510 1.149 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN(C(=O)OC(C)(C)C)C1 ZINC000843398616 595100128 /nfs/dbraw/zinc/10/01/28/595100128.db2.gz UIPIKLUUAWPSSK-OAGGEKHMSA-N 2 0 341.496 1.678 20 0 EDADRP Cc1ccc2c(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc(=O)oc2c1C ZINC000842475656 595115215 /nfs/dbraw/zinc/11/52/15/595115215.db2.gz XMVSQERLMLCYBH-KRWDZBQOSA-N 2 0 341.455 1.889 20 0 EDADRP CCN(OC)C(=O)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000842768861 595192980 /nfs/dbraw/zinc/19/29/80/595192980.db2.gz WLQAPQQWAGKQAG-UHFFFAOYSA-N 2 0 335.448 1.661 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000844167240 595289386 /nfs/dbraw/zinc/28/93/86/595289386.db2.gz XXBRGCTXZRXNIX-SFHVURJKSA-N 2 0 333.476 1.913 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000844176129 595293176 /nfs/dbraw/zinc/29/31/76/595293176.db2.gz NQZWUVYBKFTKKE-LJQANCHMSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)C1 ZINC000844178476 595293616 /nfs/dbraw/zinc/29/36/16/595293616.db2.gz WVMYUBRRMJOMKZ-FGTMMUONSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ccc(NC(=O)CO[C@@H]2CCC[NH2+]C2)c(OCC[NH+](C)C)c1 ZINC000844187209 595296525 /nfs/dbraw/zinc/29/65/25/595296525.db2.gz GMZAZHAYDOTIAI-OAHLLOKOSA-N 2 0 335.448 1.643 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)c2n[nH]c3c2C[NH2+]CC3)CC1 ZINC000844191659 595298355 /nfs/dbraw/zinc/29/83/55/595298355.db2.gz OAWJLUNSSZTYLN-UHFFFAOYSA-N 2 0 340.431 1.060 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)o1 ZINC000848903693 595465148 /nfs/dbraw/zinc/46/51/48/595465148.db2.gz XMRDXTOBCGVQTA-LQYUOIDQSA-N 2 0 335.448 1.581 20 0 EDADRP COc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000849072890 595478219 /nfs/dbraw/zinc/47/82/19/595478219.db2.gz OVOAHAWCBYPMAU-ZDUSSCGKSA-N 2 0 333.436 1.219 20 0 EDADRP Cc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000849072875 595478286 /nfs/dbraw/zinc/47/82/86/595478286.db2.gz OHYFNCATQURUBL-OAHLLOKOSA-N 2 0 331.464 1.827 20 0 EDADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N[C@@H]1CCOc2ccccc21 ZINC000849091109 595480358 /nfs/dbraw/zinc/48/03/58/595480358.db2.gz KOVFGAADYGGZNF-SQWLQELKSA-N 2 0 330.432 1.487 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849498081 595551381 /nfs/dbraw/zinc/55/13/81/595551381.db2.gz JAPGQAKJUDQBTN-ZWKOTPCHSA-N 2 0 347.507 1.304 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849499476 595551502 /nfs/dbraw/zinc/55/15/02/595551502.db2.gz MQFRESJMNFZFFO-BPQIPLTHSA-N 2 0 347.507 1.304 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849527055 595558122 /nfs/dbraw/zinc/55/81/22/595558122.db2.gz UFUGDBPOCCCGEG-IAGOWNOFSA-N 2 0 333.480 1.010 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C3=NO[C@@H](C[NH3+])C3)CC2)CC1 ZINC000852872258 595591599 /nfs/dbraw/zinc/59/15/99/595591599.db2.gz KHGBUIZOPBYJGV-UYSNPLJNSA-N 2 0 336.480 1.449 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852884016 595597499 /nfs/dbraw/zinc/59/74/99/595597499.db2.gz CNJTUNBIFULWOS-ZBFHGGJFSA-N 2 0 330.432 1.213 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000852891685 595602141 /nfs/dbraw/zinc/60/21/41/595602141.db2.gz VVPCWXOCUDKJAO-UHFFFAOYSA-N 2 0 344.459 1.219 20 0 EDADRP C[N@H+](CCN1CCN(c2cc[nH+]c(CO)c2)CC1)Cc1ccccc1 ZINC000858395206 595784486 /nfs/dbraw/zinc/78/44/86/595784486.db2.gz JKZRMFFFESPQLA-UHFFFAOYSA-N 2 0 340.471 1.828 20 0 EDADRP C[C@H]([NH2+]CCCN1CCC[C@H]1C(N)=O)c1cnn(-c2ccccc2)c1 ZINC000858466488 595803413 /nfs/dbraw/zinc/80/34/13/595803413.db2.gz GGWGGGMJZXLNSI-YJBOKZPZSA-N 2 0 341.459 1.863 20 0 EDADRP O=C(N[C@H]1CCn2ccnc21)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000851662676 595873581 /nfs/dbraw/zinc/87/35/81/595873581.db2.gz ZHWPCKFRXOKVDC-JYJNAYRXSA-N 2 0 343.406 1.912 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@]3(CC=CCC3)C1)C2=O ZINC000114445412 596030099 /nfs/dbraw/zinc/03/00/99/596030099.db2.gz OSBIEOITMCEYFK-GOSISDBHSA-N 2 0 346.475 1.782 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332787 596038611 /nfs/dbraw/zinc/03/86/11/596038611.db2.gz JHKOQYDYVYCBNN-SFHVURJKSA-N 2 0 337.508 1.966 20 0 EDADRP C[N@@H+]1CCC[C@H](c2cccc(C(=O)NCC[NH+]3CCC(O)CC3)c2)C1 ZINC000857282158 596204524 /nfs/dbraw/zinc/20/45/24/596204524.db2.gz PKCKYDIOMGUDFN-SFHVURJKSA-N 2 0 345.487 1.682 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000868647276 596258919 /nfs/dbraw/zinc/25/89/19/596258919.db2.gz GHTARCQYVNBESC-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000866646992 596278998 /nfs/dbraw/zinc/27/89/98/596278998.db2.gz ZLULMWJRLNEOFR-UHFFFAOYSA-N 2 0 345.553 1.902 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000866710370 596304376 /nfs/dbraw/zinc/30/43/76/596304376.db2.gz PTHDIQMXPFSCAZ-BMFZPTHFSA-N 2 0 335.379 1.071 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712262 596305329 /nfs/dbraw/zinc/30/53/29/596305329.db2.gz SBMBPJJQEQXMLL-NCOADZHNSA-N 2 0 337.464 1.449 20 0 EDADRP CCOC(=O)c1sc(C2CC[NH+](CCOCC[NH3+])CC2)nc1C ZINC000866714903 596306518 /nfs/dbraw/zinc/30/65/18/596306518.db2.gz BOWPDAUQTJQAKQ-UHFFFAOYSA-N 2 0 341.477 1.783 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870867746 596383581 /nfs/dbraw/zinc/38/35/81/596383581.db2.gz KYUYEVARISVMTH-UONOGXRCSA-N 2 0 334.489 1.967 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000870947926 596415491 /nfs/dbraw/zinc/41/54/91/596415491.db2.gz LOPKRQRDTTVHEK-IYARVYRRSA-N 3 0 344.503 1.614 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000867680822 596492858 /nfs/dbraw/zinc/49/28/58/596492858.db2.gz IPAVOUGUIJGHDA-UHFFFAOYSA-N 2 0 339.505 1.853 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)S(=O)(=O)CCC[NH+](C)C ZINC000867863957 596591602 /nfs/dbraw/zinc/59/16/02/596591602.db2.gz IORVOVYOXUEGGW-UHFFFAOYSA-N 2 0 333.542 1.568 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000863556444 596617744 /nfs/dbraw/zinc/61/77/44/596617744.db2.gz CQIXVSNHGDGLRJ-BZUAXINKSA-N 2 0 341.496 1.726 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863556447 596617779 /nfs/dbraw/zinc/61/77/79/596617779.db2.gz CQIXVSNHGDGLRJ-PMPSAXMXSA-N 2 0 341.496 1.726 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(CC(=O)OC(C)(C)C)CC1 ZINC000871543009 596621455 /nfs/dbraw/zinc/62/14/55/596621455.db2.gz MBFUDEOXARHRHO-CQSZACIVSA-N 2 0 325.453 1.003 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N(C)C[C@H](C)[NH3+] ZINC000863570691 596622152 /nfs/dbraw/zinc/62/21/52/596622152.db2.gz YUQSJDBASZAOKS-JKSUJKDBSA-N 2 0 332.492 1.435 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCc3cn4c(n3)CCCC4)CC[C@@H]21 ZINC000868035909 596663246 /nfs/dbraw/zinc/66/32/46/596663246.db2.gz QOAUFJBKNPUEHW-ZBFHGGJFSA-N 2 0 331.464 1.498 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCc3ccccc3O2)C[C@H]1C[NH+](C)C ZINC000870017045 596709544 /nfs/dbraw/zinc/70/95/44/596709544.db2.gz GGGJCNWQQZMNFR-ZHALLVOQSA-N 2 0 345.487 1.578 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC[C@@H]21 ZINC000868171766 596709990 /nfs/dbraw/zinc/70/99/90/596709990.db2.gz TUAXWZNWXBYEEM-BPQIPLTHSA-N 2 0 344.459 1.905 20 0 EDADRP COc1ccccc1CCC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024413 596713738 /nfs/dbraw/zinc/71/37/38/596713738.db2.gz OKMFBMZYVBWTDT-QZTJIDSGSA-N 2 0 347.503 1.826 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC[N@@H+]1C ZINC000868230720 596736865 /nfs/dbraw/zinc/73/68/65/596736865.db2.gz LZNWJOIRNAFGBP-BQDHKBFISA-N 2 0 330.432 1.039 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000868300239 596775165 /nfs/dbraw/zinc/77/51/65/596775165.db2.gz FVFLODBCBCDKBE-UHFFFAOYSA-N 2 0 332.448 1.463 20 0 EDADRP [NH3+]CCCCCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC000872146771 596811037 /nfs/dbraw/zinc/81/10/37/596811037.db2.gz WZQZIGAZDMAMOQ-IXDOHACOSA-N 2 0 325.497 1.637 20 0 EDADRP CN(C)S(=O)(=O)CCC[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872156185 596815833 /nfs/dbraw/zinc/81/58/33/596815833.db2.gz GAQCZOJMDPXHBM-DOTOQJQBSA-N 2 0 345.553 1.888 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)CC(C)(C)O)cc2)CC1 ZINC000872201179 596833141 /nfs/dbraw/zinc/83/31/41/596833141.db2.gz SGWUEKHMSCPHLY-LJQANCHMSA-N 2 0 349.519 1.436 20 0 EDADRP C[C@@H](CC(=O)NCCc1ccccc1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411308 596879679 /nfs/dbraw/zinc/87/96/79/596879679.db2.gz IYMOGVFFOJFILH-WMZOPIPTSA-N 2 0 347.503 1.559 20 0 EDADRP Cc1ccncc1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875642452 596931069 /nfs/dbraw/zinc/93/10/69/596931069.db2.gz MIABEYAMIJNLEU-IAGOWNOFSA-N 2 0 333.480 1.271 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)C1 ZINC000875706123 596954067 /nfs/dbraw/zinc/95/40/67/596954067.db2.gz AFMBSXQJUQZRTD-XHSDSOJGSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H]1CN(CN2CCC3(CCC3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000872595279 596981203 /nfs/dbraw/zinc/98/12/03/596981203.db2.gz DIXYENUTVHNULP-IRXDYDNUSA-N 2 0 334.508 1.304 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)[C@@H](C3CC3)[C@@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000872636601 597002833 /nfs/dbraw/zinc/00/28/33/597002833.db2.gz QIDWMTIYJYGCHN-YRXWBPOGSA-N 2 0 348.535 1.262 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)C[NH+]1CCCC1 ZINC000874452377 597086207 /nfs/dbraw/zinc/08/62/07/597086207.db2.gz UIHAUFUOLDXVKT-SFHVURJKSA-N 2 0 330.476 1.990 20 0 EDADRP Cc1nccnc1[C@@H](C)NCc1cnc(N2CCN(C)CC2)nc1 ZINC000873186696 597221573 /nfs/dbraw/zinc/22/15/73/597221573.db2.gz DKLDTUFFUGANQB-CQSZACIVSA-N 2 0 327.436 1.178 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[NH+](C)C ZINC000876519107 597227959 /nfs/dbraw/zinc/22/79/59/597227959.db2.gz SGIVMFUVYHIIBK-INIZCTEOSA-N 2 0 333.432 1.874 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876518348 597228142 /nfs/dbraw/zinc/22/81/42/597228142.db2.gz PNUCDLLWQGVDDV-QGZVFWFLSA-N 2 0 341.459 1.547 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876520676 597228939 /nfs/dbraw/zinc/22/89/39/597228939.db2.gz NHQJMTMCRHPTCJ-BLLLJJGKSA-N 2 0 349.406 1.482 20 0 EDADRP CC1(C)CC[C@@H](CNC2CC[NH+](CCN3CCOCC3)CC2)[NH2+]C1 ZINC000873234262 597234725 /nfs/dbraw/zinc/23/47/25/597234725.db2.gz DVLNDMFNAHCUPX-SFHVURJKSA-N 2 0 338.540 1.151 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000873329503 597258237 /nfs/dbraw/zinc/25/82/37/597258237.db2.gz WHYXHQUSITXTJR-GHMZBOCLSA-N 2 0 348.373 1.046 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)CC2)CC1 ZINC000875098578 597280552 /nfs/dbraw/zinc/28/05/52/597280552.db2.gz XBSUWYPXAZKGBV-INIZCTEOSA-N 2 0 334.508 1.988 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1)[NH+]1CCCCC1 ZINC000875130505 597294327 /nfs/dbraw/zinc/29/43/27/597294327.db2.gz NRLFTZGNOZKTIC-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC1 ZINC000876717937 597303226 /nfs/dbraw/zinc/30/32/26/597303226.db2.gz IXXLFGNJWJTRPF-AEFFLSMTSA-N 2 0 333.451 1.977 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCOC1 ZINC000876738012 597315060 /nfs/dbraw/zinc/31/50/60/597315060.db2.gz WXPVGFREYGRQBE-IBGZPJMESA-N 2 0 337.508 1.903 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000876742774 597317276 /nfs/dbraw/zinc/31/72/76/597317276.db2.gz SUMJFEAGSPBSEW-MJGOQNOKSA-N 2 0 334.508 1.193 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000876745906 597318762 /nfs/dbraw/zinc/31/87/62/597318762.db2.gz GTPBEZQBBIXUJK-GCEZPKIMSA-N 2 0 348.535 1.415 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000876800712 597344061 /nfs/dbraw/zinc/34/40/61/597344061.db2.gz UOZPWXPHRJJZNK-FZKCQIBNSA-N 2 0 331.464 1.315 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000876870590 597363699 /nfs/dbraw/zinc/36/36/99/597363699.db2.gz OUXSXKSKHGWJDI-QWHCGFSZSA-N 2 0 331.338 1.200 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000875296191 597373639 /nfs/dbraw/zinc/37/36/39/597373639.db2.gz UHURYLMQFQCQQQ-MRXNPFEDSA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cc1 ZINC000876898257 597375905 /nfs/dbraw/zinc/37/59/05/597375905.db2.gz QIXITUXNXOYWHE-KRWDZBQOSA-N 2 0 333.480 1.044 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCSC2)C[C@H]1C[NH+](C)C ZINC000875343274 597392013 /nfs/dbraw/zinc/39/20/13/597392013.db2.gz VGGBRPXBJYLRLI-RBSFLKMASA-N 2 0 328.526 1.263 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccncc1 ZINC000875348879 597394567 /nfs/dbraw/zinc/39/45/67/597394567.db2.gz SIOYFFJPELKBRD-KBAYOESNSA-N 2 0 347.507 1.566 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)C[C@H]1COCC[NH2+]1 ZINC000877030385 597416947 /nfs/dbraw/zinc/41/69/47/597416947.db2.gz FPXMAJQFBNVUDS-YXJHDRRASA-N 2 0 329.444 1.508 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)CC[C@H]1CCC[NH2+]C1 ZINC000877132745 597439746 /nfs/dbraw/zinc/43/97/46/597439746.db2.gz MIVJZTXKBWZAAA-MRXNPFEDSA-N 2 0 325.497 1.583 20 0 EDADRP C[C@@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000877143500 597442333 /nfs/dbraw/zinc/44/23/33/597442333.db2.gz QERGNSIOGDNBKD-WNRNVDISSA-N 3 0 338.540 1.210 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc(Cl)n1 ZINC000877146627 597442852 /nfs/dbraw/zinc/44/28/52/597442852.db2.gz WSMGISNCSWWDMC-GJZGRUSLSA-N 2 0 336.867 1.986 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000877267089 597483671 /nfs/dbraw/zinc/48/36/71/597483671.db2.gz PKISZIDIVNGSLB-INIZCTEOSA-N 2 0 347.507 1.927 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000877344188 597496867 /nfs/dbraw/zinc/49/68/67/597496867.db2.gz VRVCVELXMBGRCN-FPOVZHCZSA-N 2 0 335.451 1.748 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C(F)(F)F ZINC000877355141 597499386 /nfs/dbraw/zinc/49/93/86/597499386.db2.gz KXPZRVUSMOZOQY-DZGCQCFKSA-N 2 0 341.377 1.470 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H]1C(F)(F)F ZINC000877357075 597500120 /nfs/dbraw/zinc/50/01/20/597500120.db2.gz QXYNNYRNZQHZLI-MRVWCRGKSA-N 2 0 327.350 1.469 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cn1 ZINC000877443907 597516275 /nfs/dbraw/zinc/51/62/75/597516275.db2.gz HTVHFNSMMNQUTM-CZUORRHYSA-N 2 0 331.464 1.695 20 0 EDADRP OC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H]1CO ZINC000877764622 597553610 /nfs/dbraw/zinc/55/36/10/597553610.db2.gz LCJMYWKAXZDSFH-HDICACEKSA-N 2 0 334.460 1.194 20 0 EDADRP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)CC1(O)CCCC1 ZINC000878015767 597569534 /nfs/dbraw/zinc/56/95/34/597569534.db2.gz JGQLTJVAMNGPMK-GOSISDBHSA-N 2 0 340.508 1.477 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CCC2(CCOCC2)O1 ZINC000878315052 597594790 /nfs/dbraw/zinc/59/47/90/597594790.db2.gz DYUZXXZDRZOYAC-KRWDZBQOSA-N 2 0 325.497 1.284 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)CCc3ccccc3)CC2)CC1 ZINC000879595401 597650776 /nfs/dbraw/zinc/65/07/76/597650776.db2.gz AYADRGANANAVHM-HXUWFJFHSA-N 2 0 331.504 1.692 20 0 EDADRP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC(N2CC[NH+](C)CC2)CC1 ZINC000879595339 597650782 /nfs/dbraw/zinc/65/07/82/597650782.db2.gz YWFUFUUKDJQOKZ-XLIONFOSSA-N 2 0 331.504 1.863 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](Cc2cccnc2)C2CCCC2)CC1 ZINC000879675924 597682278 /nfs/dbraw/zinc/68/22/78/597682278.db2.gz CZLYVJDJAOJSHL-IBGZPJMESA-N 2 0 344.503 1.983 20 0 EDADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@@H]1CCCOC1 ZINC000883216129 597687835 /nfs/dbraw/zinc/68/78/35/597687835.db2.gz LLRPDCIIMWCVHR-AQNXPRMDSA-N 2 0 348.487 1.784 20 0 EDADRP COC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)[C@@H]1CCCOC1 ZINC000883233967 597691309 /nfs/dbraw/zinc/69/13/09/597691309.db2.gz UDBJGEZUBCCRKE-IEBWSBKVSA-N 2 0 340.508 1.909 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000131801622 597744382 /nfs/dbraw/zinc/74/43/82/597744382.db2.gz RUPRQAMJCZBJFU-AWEZNQCLSA-N 2 0 333.432 1.922 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](C[C@H]3CCC4(CCOCC4)O3)CC2)C1 ZINC000883433374 597744794 /nfs/dbraw/zinc/74/47/94/597744794.db2.gz OMJZUYPNQIJDAL-KURKYZTESA-N 2 0 338.492 1.933 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccccc1 ZINC000879963744 597786671 /nfs/dbraw/zinc/78/66/71/597786671.db2.gz NQCKQDXKJSMRJM-MSOLQXFVSA-N 2 0 347.503 1.888 20 0 EDADRP C[C@@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)[C@H](C)[NH3+] ZINC000883586356 597814156 /nfs/dbraw/zinc/81/41/56/597814156.db2.gz KDAFCWLKRVXWTI-VBQJREDUSA-N 2 0 331.464 1.828 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586046 597814609 /nfs/dbraw/zinc/81/46/09/597814609.db2.gz DILRWHYPDYETHQ-QAPCUYQASA-N 2 0 343.475 1.784 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586757 597815038 /nfs/dbraw/zinc/81/50/38/597815038.db2.gz RUJYXDHIDVFRCV-WMLDXEAASA-N 2 0 331.464 1.687 20 0 EDADRP CC(C)n1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000879456998 597922967 /nfs/dbraw/zinc/92/29/67/597922967.db2.gz PRLNVIOYDWTFLQ-HUUCEWRRSA-N 2 0 336.484 1.667 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)C2CCN(Cc3csc(C)n3)CC2)C1 ZINC000133256438 597953426 /nfs/dbraw/zinc/95/34/26/597953426.db2.gz KWPNHCHDCQOCNZ-OAHLLOKOSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000884124563 598001580 /nfs/dbraw/zinc/00/15/80/598001580.db2.gz ASRLVXLLSGCTTC-NJAFHUGGSA-N 2 0 343.475 1.929 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c1 ZINC000884195617 598023317 /nfs/dbraw/zinc/02/33/17/598023317.db2.gz SXNUZUSEHOIKIF-KRWDZBQOSA-N 2 0 331.460 1.985 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)NCCC[N@H+](C)CCOC)CC1 ZINC000884197864 598024755 /nfs/dbraw/zinc/02/47/55/598024755.db2.gz HAAILDNMKUHKDZ-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@@H+]1C ZINC000884206273 598028315 /nfs/dbraw/zinc/02/83/15/598028315.db2.gz QMKWLTQDUSRNLG-OWCLPIDISA-N 2 0 331.464 1.784 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000884229150 598037294 /nfs/dbraw/zinc/03/72/94/598037294.db2.gz JNRJMIUOZCIGAB-MRXNPFEDSA-N 2 0 337.508 1.631 20 0 EDADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000914314237 695351721 /nfs/dbraw/zinc/35/17/21/695351721.db2.gz PSFLKSVVBQFGID-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)C[C@@]12CC[NH+](C1)CCC2 ZINC000914407799 695391502 /nfs/dbraw/zinc/39/15/02/695391502.db2.gz WUPLSSOXWHTQDY-ULQDDVLXSA-N 2 0 343.537 1.512 20 0 EDADRP O=S(=O)([C@H]1CCC[NH2+]C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000923596832 695694417 /nfs/dbraw/zinc/69/44/17/695694417.db2.gz JVKZUGANNQYCSC-KRWDZBQOSA-N 2 0 343.537 1.656 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CCC[N@@H+]1CCCO ZINC000993319102 695966409 /nfs/dbraw/zinc/96/64/09/695966409.db2.gz WEYWDVMTSQHVNA-CVEARBPZSA-N 2 0 325.497 1.602 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCC[N@H+](CCCO)[C@H]2C)ccc2c[nH+]cn21 ZINC000993500171 696179405 /nfs/dbraw/zinc/17/94/05/696179405.db2.gz IRBZAESCYLJVMP-WMLDXEAASA-N 2 0 330.432 1.608 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1Cc1cccnc1 ZINC000993768356 696365093 /nfs/dbraw/zinc/36/50/93/696365093.db2.gz ZOCSPTZRDCYPJY-CRAIPNDOSA-N 2 0 330.476 1.893 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@H]23)CC1 ZINC000916033602 696615491 /nfs/dbraw/zinc/61/54/91/696615491.db2.gz ZUOHCJYUPPNUIK-JKSUJKDBSA-N 2 0 340.537 1.597 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCc2cc(N(C)C)cc[nH+]2)CC1 ZINC000916323023 696651926 /nfs/dbraw/zinc/65/19/26/696651926.db2.gz FOKLGGSZSMUYCS-UHFFFAOYSA-N 2 0 349.479 1.448 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CN(CC[C@H]3CCc4ccccc43)C2)C1 ZINC001031382587 697001016 /nfs/dbraw/zinc/00/10/16/697001016.db2.gz YRCDJKHKLZMIHP-SJORKVTESA-N 2 0 327.472 1.859 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CN(C[C@H]2CCc3ccccc3C2)C1 ZINC001031389277 697009747 /nfs/dbraw/zinc/00/97/47/697009747.db2.gz JSVCSPJVDTWYEP-INIZCTEOSA-N 2 0 327.472 1.688 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000918123146 697134259 /nfs/dbraw/zinc/13/42/59/697134259.db2.gz YIWOGXCMIKDFRV-HZPDHXFCSA-N 2 0 326.485 1.007 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000352744724 697333381 /nfs/dbraw/zinc/33/33/81/697333381.db2.gz QEMDJKBZLKGQPN-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000920226319 697411409 /nfs/dbraw/zinc/41/14/09/697411409.db2.gz FLCIMLTWXQJSKH-IRXDYDNUSA-N 2 0 333.480 1.858 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC001031665556 697445631 /nfs/dbraw/zinc/44/56/31/697445631.db2.gz AFLMWEVQGNPNRU-SJORKVTESA-N 2 0 337.508 1.722 20 0 EDADRP CCc1onc(C)c1CN1CC(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001031674514 697483093 /nfs/dbraw/zinc/48/30/93/697483093.db2.gz KVHHBPOFCPAZCX-QGZVFWFLSA-N 2 0 346.475 1.435 20 0 EDADRP CC(C)=CC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031678991 697498378 /nfs/dbraw/zinc/49/83/78/697498378.db2.gz AVAAVDGBNWPVOL-MOPGFXCFSA-N 2 0 349.519 1.748 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCc3cnn(CC)c3)C2)CC[N@@H+]1C ZINC001031684675 697512178 /nfs/dbraw/zinc/51/21/78/697512178.db2.gz YBKZWXJOTLNNBB-ZWKOTPCHSA-N 2 0 347.507 1.224 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnnn2C)CC1 ZINC000940110082 700223478 /nfs/dbraw/zinc/22/34/78/700223478.db2.gz TVOHIDFADWMKLW-INIZCTEOSA-N 2 0 348.495 1.159 20 0 EDADRP CC1([NH2+]Cc2nncs2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115631 700230852 /nfs/dbraw/zinc/23/08/52/700230852.db2.gz PNDLYOBHXJJWOG-CQSZACIVSA-N 2 0 349.504 1.351 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@@H]1CCCC[NH2+]1 ZINC000238055625 698665378 /nfs/dbraw/zinc/66/53/78/698665378.db2.gz HZFZBHNKAZRJLE-CVEARBPZSA-N 2 0 331.416 1.676 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000940124183 700257769 /nfs/dbraw/zinc/25/77/69/700257769.db2.gz YWVCANJRGKABBS-IXDOHACOSA-N 2 0 337.508 1.724 20 0 EDADRP CCCCCC[C@@H](C)[NH2+][C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000181044585 699088448 /nfs/dbraw/zinc/08/84/48/699088448.db2.gz MPXMAOXUZXRELF-SJORKVTESA-N 2 0 325.497 1.868 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939127359 699205073 /nfs/dbraw/zinc/20/50/73/699205073.db2.gz COWKTNSKMLSFLV-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939257371 699434629 /nfs/dbraw/zinc/43/46/29/699434629.db2.gz LYWRPKIZMPUWLR-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)cn1 ZINC000939258166 699435767 /nfs/dbraw/zinc/43/57/67/699435767.db2.gz PNZWJSXYMKUFMB-KSSFIOAISA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CC(CNC(=O)C34CCC[NH+]3CCC4)C2)CCO1 ZINC001031812755 699486794 /nfs/dbraw/zinc/48/67/94/699486794.db2.gz JTLOKBFWGNFMTR-HOTGVXAUSA-N 2 0 335.492 1.478 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)c3ccc(C[NH+](C)C)cc3)CC2)C1 ZINC000941607452 701595030 /nfs/dbraw/zinc/59/50/30/701595030.db2.gz OLCBGXXYZINNQM-UHFFFAOYSA-N 2 0 330.476 1.210 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939396490 699546386 /nfs/dbraw/zinc/54/63/86/699546386.db2.gz JDBFZVCHMJHANF-QAPCUYQASA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939424592 699574350 /nfs/dbraw/zinc/57/43/50/699574350.db2.gz YEGBMYZUHRZLQZ-QAPCUYQASA-N 2 0 346.475 1.129 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995164520 701603437 /nfs/dbraw/zinc/60/34/37/701603437.db2.gz AKOACTMGBKVGFZ-CVEARBPZSA-N 2 0 346.475 1.762 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCC1CCOCC1 ZINC000939549798 699688713 /nfs/dbraw/zinc/68/87/13/699688713.db2.gz CYXOKFAGAMIONW-NVXWUHKLSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939550338 699699271 /nfs/dbraw/zinc/69/92/71/699699271.db2.gz IQZOFCQCOBFVOY-WFASDCNBSA-N 2 0 343.431 1.694 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754136 699904290 /nfs/dbraw/zinc/90/42/90/699904290.db2.gz LFBZKKZCCBNERO-MLGOLLRUSA-N 2 0 336.505 1.792 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CC4CC(C)(C)C4)C3)CC2)C1 ZINC000941666259 701620736 /nfs/dbraw/zinc/62/07/36/701620736.db2.gz SBZAIMOPCMLLGJ-KRWDZBQOSA-N 2 0 348.535 1.203 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)ncn1 ZINC000939811812 699959686 /nfs/dbraw/zinc/95/96/86/699959686.db2.gz USVPZOZFOMLTPJ-QAPCUYQASA-N 2 0 345.491 1.598 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940142254 700269888 /nfs/dbraw/zinc/26/98/88/700269888.db2.gz MKJUSJWGOIEORK-MRXNPFEDSA-N 2 0 348.495 1.160 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)nn1 ZINC000940148643 700281438 /nfs/dbraw/zinc/28/14/38/700281438.db2.gz BZGVGVMNZWPDDM-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)co1 ZINC000940149517 700282512 /nfs/dbraw/zinc/28/25/12/700282512.db2.gz LKQVJKYKKFKZCK-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)[nH]1 ZINC000940164622 700299696 /nfs/dbraw/zinc/29/96/96/700299696.db2.gz RACRAWLWFZMFBD-HNNXBMFYSA-N 2 0 336.484 1.170 20 0 EDADRP C[C@@H](F)CC[NH+]1CC(CNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC001031876336 700406563 /nfs/dbraw/zinc/40/65/63/700406563.db2.gz SOTLYHZUGAEFTK-RHSMWYFYSA-N 2 0 341.471 1.283 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)nn1C ZINC000940306468 700488882 /nfs/dbraw/zinc/48/88/82/700488882.db2.gz LLXPTKSYAYPSDC-QGZVFWFLSA-N 2 0 349.523 1.785 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)co1 ZINC000940329157 700508368 /nfs/dbraw/zinc/50/83/68/700508368.db2.gz QJRTYHYBDQLUAV-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]C[C@H]2CCCOC2)CC1 ZINC000940329510 700509036 /nfs/dbraw/zinc/50/90/36/700509036.db2.gz UXDFIODDABVONY-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2nccc(C)n2)CC1)[NH+](C)C ZINC000940334896 700515134 /nfs/dbraw/zinc/51/51/34/700515134.db2.gz RINDQKZRGYEKLZ-HNNXBMFYSA-N 2 0 333.480 1.596 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3cn(C)nn3)CC2)CC1 ZINC000940391944 700568509 /nfs/dbraw/zinc/56/85/09/700568509.db2.gz DZDJTOFWJPCFMH-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426559 700620536 /nfs/dbraw/zinc/62/05/36/700620536.db2.gz WYJQNXHJLCKITI-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000940461939 700665670 /nfs/dbraw/zinc/66/56/70/700665670.db2.gz SHYUCFMCLQFBGO-UHFFFAOYSA-N 2 0 346.475 1.657 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCOC2CCC2)CC1(C)C ZINC000940625400 700787221 /nfs/dbraw/zinc/78/72/21/700787221.db2.gz SMUVSKMBNKXJSC-DLBZAZTESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748281 700873920 /nfs/dbraw/zinc/87/39/20/700873920.db2.gz WXWYODKRERPATK-HZPDHXFCSA-N 2 0 339.524 1.848 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CC[NH+](CCn3cccn3)CC2(C)C)CC[N@@H+]1C ZINC000940756683 700892044 /nfs/dbraw/zinc/89/20/44/700892044.db2.gz FZDZIOYCDCPNQV-BRWVUGGUSA-N 2 0 347.507 1.440 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CN(C)C[C@@H](C)O2)C(C)(C)C1 ZINC000940832565 700931960 /nfs/dbraw/zinc/93/19/60/700931960.db2.gz YWXSBXCTBQYYGJ-BRWVUGGUSA-N 2 0 339.524 1.968 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC000940857828 700956496 /nfs/dbraw/zinc/95/64/96/700956496.db2.gz FCQYZGBFOZMYCP-IAGOWNOFSA-N 2 0 339.524 1.970 20 0 EDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995118176 701085878 /nfs/dbraw/zinc/08/58/78/701085878.db2.gz FMZMCHSTROPAIA-IRXDYDNUSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999168337 706595833 /nfs/dbraw/zinc/59/58/33/706595833.db2.gz AQBFIFIGGWNTMU-AEFFLSMTSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168497 706596375 /nfs/dbraw/zinc/59/63/75/706596375.db2.gz BQFULBWYEYQKFJ-SJORKVTESA-N 2 0 332.448 1.405 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2nccs2)C1 ZINC000999168650 706596673 /nfs/dbraw/zinc/59/66/73/706596673.db2.gz HVSQJMQEVYOOCP-CABCVRRESA-N 2 0 334.489 1.566 20 0 EDADRP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215913 701402287 /nfs/dbraw/zinc/40/22/87/701402287.db2.gz BGJCLQBNKJAEKD-ZBFHGGJFSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218429 701409177 /nfs/dbraw/zinc/40/91/77/701409177.db2.gz XOCROUXHOXAVCU-RDJZCZTQSA-N 2 0 347.507 1.397 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001031949023 701522420 /nfs/dbraw/zinc/52/24/20/701522420.db2.gz ZEICCACBVSCFLL-CYBMUJFWSA-N 2 0 329.435 1.812 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCOc3ccccc3)C2)CC1 ZINC001031949560 701526148 /nfs/dbraw/zinc/52/61/48/701526148.db2.gz YTSUCTQPDKWHHT-UHFFFAOYSA-N 2 0 331.460 1.455 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CCC3)C2)CC1 ZINC000941460300 701544237 /nfs/dbraw/zinc/54/42/37/701544237.db2.gz PDLUSDRZWYUYCL-GOSISDBHSA-N 2 0 334.508 1.099 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1 ZINC001031976346 701959550 /nfs/dbraw/zinc/95/95/50/701959550.db2.gz JJUSWNCCBKJGHP-BEFAXECRSA-N 2 0 345.487 1.483 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995791898 702086338 /nfs/dbraw/zinc/08/63/38/702086338.db2.gz FAPDERNDGNALEW-SJORKVTESA-N 2 0 347.507 1.620 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000995822015 702091695 /nfs/dbraw/zinc/09/16/95/702091695.db2.gz JOHBXEXNBBMVFI-MSOLQXFVSA-N 2 0 349.519 1.581 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CN(Cc2cnc(C)cn2)C1 ZINC001032206132 702129175 /nfs/dbraw/zinc/12/91/75/702129175.db2.gz SJANJIFARFBJGW-KRWDZBQOSA-N 2 0 331.464 1.207 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@@H]3CCc4ccccc4C3)C2)C1 ZINC001032182797 702210947 /nfs/dbraw/zinc/21/09/47/702210947.db2.gz REAYBXBHVJUOJF-OXQOHEQNSA-N 2 0 341.499 1.791 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890449 702231871 /nfs/dbraw/zinc/23/18/71/702231871.db2.gz BBSKQVKSEAAGGO-DLBZAZTESA-N 2 0 330.476 1.748 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CCC2CCOCC2)C(C)(C)C1)[NH+](C)C ZINC000995946091 702292356 /nfs/dbraw/zinc/29/23/56/702292356.db2.gz GAKRKKMYGQVKMA-IAGOWNOFSA-N 2 0 339.524 1.970 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H](CC)[NH+](C)C)CC1(C)C ZINC000995946119 702292613 /nfs/dbraw/zinc/29/26/13/702292613.db2.gz GLFGCAUWFILAEO-CVEARBPZSA-N 2 0 336.480 1.904 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CC2CCOCC2)C(C)(C)C1)[NH+](C)C ZINC000995946834 702294464 /nfs/dbraw/zinc/29/44/64/702294464.db2.gz HPXFJDXSKJRRPP-CVEARBPZSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1ccc(C)c(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@@H+](C)C3)C2)c1 ZINC001032186331 702323299 /nfs/dbraw/zinc/32/32/99/702323299.db2.gz OCVWCMGQWXETGH-SFHVURJKSA-N 2 0 345.487 1.682 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995993044 702370218 /nfs/dbraw/zinc/37/02/18/702370218.db2.gz AEVHYBMQTNWXBZ-MRXNPFEDSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000995995293 702373737 /nfs/dbraw/zinc/37/37/37/702373737.db2.gz HJALJQDHTXJIDW-INIZCTEOSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]C[C@H]1CCCOC1 ZINC000995999326 702378912 /nfs/dbraw/zinc/37/89/12/702378912.db2.gz UFDLXGPYCQCOPH-IAGOWNOFSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cccnc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944155306 702448476 /nfs/dbraw/zinc/44/84/76/702448476.db2.gz MFRABYCYDVUBCU-DLBZAZTESA-N 2 0 342.487 1.812 20 0 EDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944157355 702454398 /nfs/dbraw/zinc/45/43/98/702454398.db2.gz ZPILSFMBVFWFCF-FUHWJXTLSA-N 2 0 342.487 1.812 20 0 EDADRP C[C@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942058121 702508547 /nfs/dbraw/zinc/50/85/47/702508547.db2.gz UBHWTYBDRNKRST-DOTOQJQBSA-N 2 0 347.507 1.685 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H](C)C1 ZINC000942058108 702509049 /nfs/dbraw/zinc/50/90/49/702509049.db2.gz TVMUWULBDRDJIY-SJORKVTESA-N 2 0 349.523 1.931 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCOC2)CC1 ZINC001032666188 706679747 /nfs/dbraw/zinc/67/97/47/706679747.db2.gz YSXHHGGAYQTBSX-BZSNNMDCSA-N 2 0 335.492 1.430 20 0 EDADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999225571 706683202 /nfs/dbraw/zinc/68/32/02/706683202.db2.gz VULUWODJEGTVJX-QQFBHYJXSA-N 2 0 345.491 1.991 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996221786 702632456 /nfs/dbraw/zinc/63/24/56/702632456.db2.gz JUAYZDUSUKXXNA-KRWDZBQOSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)o1 ZINC000996225120 702634818 /nfs/dbraw/zinc/63/48/18/702634818.db2.gz ZQUKUAVGALADIJ-MRXNPFEDSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996301191 702693012 /nfs/dbraw/zinc/69/30/12/702693012.db2.gz RLXKVAGTUWCMGM-WBVHZDCISA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3nccn3C)C(C)(C)C2)C1 ZINC000996301136 702693041 /nfs/dbraw/zinc/69/30/41/702693041.db2.gz QBNFQFWJTCKKJF-CABCVRRESA-N 2 0 333.480 1.089 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC000995211762 702698766 /nfs/dbraw/zinc/69/87/66/702698766.db2.gz OBQXKLPTDCFSHH-LSDHHAIUSA-N 2 0 336.505 1.922 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996500181 702839242 /nfs/dbraw/zinc/83/92/42/702839242.db2.gz CWNHJCBWCSXPBI-IEBWSBKVSA-N 2 0 349.519 1.868 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996559790 702877901 /nfs/dbraw/zinc/87/79/01/702877901.db2.gz FJWURBWCTNWGPH-CRAIPNDOSA-N 2 0 335.492 1.335 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000996644329 702947142 /nfs/dbraw/zinc/94/71/42/702947142.db2.gz JUXLTUVSNRELLL-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996661073 702958461 /nfs/dbraw/zinc/95/84/61/702958461.db2.gz LFEPJEQPSXWPFU-MRXNPFEDSA-N 2 0 333.480 1.375 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1csnn1 ZINC000996678962 702978001 /nfs/dbraw/zinc/97/80/01/702978001.db2.gz OYGQABRJEBFJSU-XHDPSFHLSA-N 2 0 337.493 1.520 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996686948 702984310 /nfs/dbraw/zinc/98/43/10/702984310.db2.gz DOPYFKVQHWULSJ-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000996694715 702991463 /nfs/dbraw/zinc/99/14/63/702991463.db2.gz YTYTUGQODMQHMO-YOEHRIQHSA-N 2 0 333.480 1.704 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnns2)CC1)[NH+](C)C ZINC000996699532 702997600 /nfs/dbraw/zinc/99/76/00/702997600.db2.gz YMMCQAOPUXHIAG-AWEZNQCLSA-N 2 0 325.482 1.205 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C(C)C)[nH]2)CC1)[NH+](C)C ZINC000996710347 703003130 /nfs/dbraw/zinc/00/31/30/703003130.db2.gz CFRCFQNAPGKBEG-CQSZACIVSA-N 2 0 336.484 1.349 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000996717643 703011080 /nfs/dbraw/zinc/01/10/80/703011080.db2.gz BSSZNRBTDBDXRB-KRWDZBQOSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)o1 ZINC000996717731 703011126 /nfs/dbraw/zinc/01/11/26/703011126.db2.gz CCIFJKSWHYWDKZ-MRXNPFEDSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CC2)[nH]1 ZINC000996719841 703013481 /nfs/dbraw/zinc/01/34/81/703013481.db2.gz RPGAWYXXRSUERS-CVEARBPZSA-N 2 0 346.479 1.211 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cnns2)CC1)C12CCC[NH+]1CCC2 ZINC000996771693 703061923 /nfs/dbraw/zinc/06/19/23/703061923.db2.gz RNLAJTVXETZMOH-UHFFFAOYSA-N 2 0 335.477 1.247 20 0 EDADRP Cc1cncn1CC(=O)N1CCC([NH2+]CCC2CCOCC2)CC1 ZINC000996802407 703088605 /nfs/dbraw/zinc/08/86/05/703088605.db2.gz PPOJMLQCTUTDIU-UHFFFAOYSA-N 2 0 334.464 1.589 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000942597518 703112368 /nfs/dbraw/zinc/11/23/68/703112368.db2.gz LBXUJHJNEDTASM-KBXCAEBGSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](CC2CCOCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598500 703113764 /nfs/dbraw/zinc/11/37/64/703113764.db2.gz YGVXQXIKIUWHAK-YJBOKZPZSA-N 2 0 337.508 1.581 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N2CCC([NH2+]Cc3ccccn3)CC2)C1 ZINC000996924979 703198833 /nfs/dbraw/zinc/19/88/33/703198833.db2.gz BTZXYNRTFJXGOY-GOSISDBHSA-N 2 0 346.475 1.271 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996931933 703200619 /nfs/dbraw/zinc/20/06/19/703200619.db2.gz BMIYACKBDMFMAB-UHFFFAOYSA-N 2 0 345.447 1.432 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](Cc3ccccc3)C2)cn1 ZINC001032042459 703201011 /nfs/dbraw/zinc/20/10/11/703201011.db2.gz ANXOUSXEQDONTR-UHFFFAOYSA-N 2 0 341.459 1.307 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCOCC2)CC1 ZINC000996981527 703236604 /nfs/dbraw/zinc/23/66/04/703236604.db2.gz VZVSFWGYPDVSES-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000996997770 703254610 /nfs/dbraw/zinc/25/46/10/703254610.db2.gz GMYXZUGSWDTAKU-ZIAGYGMSSA-N 2 0 349.479 1.758 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)cs1 ZINC000997000470 703257255 /nfs/dbraw/zinc/25/72/55/703257255.db2.gz QDAIDSZSUFFJHX-WBMJQRKESA-N 2 0 336.505 1.730 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997000341 703257356 /nfs/dbraw/zinc/25/73/56/703257356.db2.gz PHAKTWUPJUOGDZ-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CCc3ccns3)CC2)C1 ZINC000996996934 703260678 /nfs/dbraw/zinc/26/06/78/703260678.db2.gz ATZRXEAACBCWQW-AWEZNQCLSA-N 2 0 336.505 1.608 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nc1 ZINC000997005186 703262385 /nfs/dbraw/zinc/26/23/85/703262385.db2.gz CZRPRISOSHNBKR-ZBFHGGJFSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)nc1 ZINC000997005176 703262494 /nfs/dbraw/zinc/26/24/94/703262494.db2.gz CZRPRISOSHNBKR-GOEBONIOSA-N 2 0 331.464 1.063 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997007254 703264559 /nfs/dbraw/zinc/26/45/59/703264559.db2.gz IZLDLJXOECGVJP-SUMWQHHRSA-N 2 0 346.475 1.830 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)ccn1 ZINC000997008776 703267197 /nfs/dbraw/zinc/26/71/97/703267197.db2.gz XDZKKJURHMBZKL-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009062 703269750 /nfs/dbraw/zinc/26/97/50/703269750.db2.gz XTSVLVPTDVRSQU-OAHLLOKOSA-N 2 0 347.507 1.422 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCOC2)CC1 ZINC001032700327 706737959 /nfs/dbraw/zinc/73/79/59/706737959.db2.gz LQLDMWWYPHLURB-BZSNNMDCSA-N 2 0 335.492 1.430 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2CCC([NH2+]Cc3ccccc3)CC2)CC1 ZINC000997128480 703387522 /nfs/dbraw/zinc/38/75/22/703387522.db2.gz XTYAOEPJCXHXQQ-UHFFFAOYSA-N 2 0 345.487 1.878 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000997181465 703466117 /nfs/dbraw/zinc/46/61/17/703466117.db2.gz AWNHCTVEMLVAJI-AWEZNQCLSA-N 2 0 346.475 1.974 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997190575 703478949 /nfs/dbraw/zinc/47/89/49/703478949.db2.gz AFMZIRXAXUGEMU-UHFFFAOYSA-N 2 0 346.475 1.722 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997276511 703535759 /nfs/dbraw/zinc/53/57/59/703535759.db2.gz JBXJVUVYRYKQKW-UXLLHSPISA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H](NC(=O)c1occc1C[NH+](C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997278624 703536784 /nfs/dbraw/zinc/53/67/84/703536784.db2.gz CNQWJTVPQPMBGW-UONOGXRCSA-N 2 0 337.464 1.552 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000997278620 703536786 /nfs/dbraw/zinc/53/67/86/703536786.db2.gz HCUUQEZWIDVHDT-HWMZRRJGSA-N 2 0 325.497 1.314 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)sc1C ZINC000997298400 703556505 /nfs/dbraw/zinc/55/65/05/703556505.db2.gz IYOBUVNFNUZGIH-CQSZACIVSA-N 2 0 336.505 1.792 20 0 EDADRP Cn1c(Cl)cnc1C[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997307094 703565446 /nfs/dbraw/zinc/56/54/46/703565446.db2.gz OPLHNQBRBRKPKO-UHFFFAOYSA-N 2 0 339.871 1.250 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)CC1 ZINC001032705592 706755991 /nfs/dbraw/zinc/75/59/91/706755991.db2.gz AIBGSVMTZAPTPG-HOTGVXAUSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032445630 703614356 /nfs/dbraw/zinc/61/43/56/703614356.db2.gz NALGDXZJAFJAEZ-QYZOEREBSA-N 2 0 349.519 1.961 20 0 EDADRP O=C(Cn1ccnc1)N1CCC([NH2+]Cc2csc(Cl)n2)CC1 ZINC000997412540 703668164 /nfs/dbraw/zinc/66/81/64/703668164.db2.gz CKZCDMWCYYZYED-UHFFFAOYSA-N 2 0 339.852 1.774 20 0 EDADRP Cc1nccnc1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997421827 703670855 /nfs/dbraw/zinc/67/08/55/703670855.db2.gz SUOGSIZMUBGPER-RHSMWYFYSA-N 2 0 345.491 1.453 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032479620 703713750 /nfs/dbraw/zinc/71/37/50/703713750.db2.gz PRGJXPZPPBUSEJ-BZSNNMDCSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549829 703933593 /nfs/dbraw/zinc/93/35/93/703933593.db2.gz FYDYXONCTVYVJE-IAGOWNOFSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999295058 706792326 /nfs/dbraw/zinc/79/23/26/706792326.db2.gz XRJVKJMYIYWTJJ-RDUJMCCZSA-N 2 0 334.464 1.792 20 0 EDADRP Cc1ncc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)s1 ZINC001033091852 704167244 /nfs/dbraw/zinc/16/72/44/704167244.db2.gz NNQANRWGHFKWFG-XNRPHZJLSA-N 2 0 336.505 1.824 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC001033095974 704183142 /nfs/dbraw/zinc/18/31/42/704183142.db2.gz GQAVLRDIRHVBSF-OKZBNKHCSA-N 2 0 330.476 1.845 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000997831991 704750147 /nfs/dbraw/zinc/75/01/47/704750147.db2.gz XAUIABGPMWCPCE-KRWDZBQOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncoc1C[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997835912 704753441 /nfs/dbraw/zinc/75/34/41/704753441.db2.gz DDSPRCVYIIONMG-AWEZNQCLSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C[NH2+]CC2CC2)CC1 ZINC000997855100 704764029 /nfs/dbraw/zinc/76/40/29/704764029.db2.gz KUNOPXBUDXCZPQ-UHFFFAOYSA-N 2 0 337.508 1.583 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(OC)ccn2)CC1)[NH+](C)C ZINC000997855001 704767034 /nfs/dbraw/zinc/76/70/34/704767034.db2.gz ITRVRWWMWODUOH-GOSISDBHSA-N 2 0 348.491 1.759 20 0 EDADRP Cc1cc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)nn1C ZINC000944942573 704794827 /nfs/dbraw/zinc/79/48/27/704794827.db2.gz BIVOUSUHUICYDH-RHSMWYFYSA-N 2 0 333.480 1.151 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945507 704798516 /nfs/dbraw/zinc/79/85/16/704798516.db2.gz RQOOHRIPTXIAQB-PBHICJAKSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944946240 704799448 /nfs/dbraw/zinc/79/94/48/704799448.db2.gz VYPKKMJOFWDLIM-MAUKXSAKSA-N 2 0 330.476 1.812 20 0 EDADRP COCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001040462845 704832644 /nfs/dbraw/zinc/83/26/44/704832644.db2.gz DAMRVQJEURYFTI-LJQANCHMSA-N 2 0 337.508 1.679 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CC[N@@H+](Cc2cccnc2)C[C@H]1C ZINC000944966017 704837889 /nfs/dbraw/zinc/83/78/89/704837889.db2.gz WVXQLCBOTWQCFH-PBHICJAKSA-N 2 0 327.432 1.613 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CC(C)(C)CO2)CC[N@@H+]1C ZINC001032587389 705111304 /nfs/dbraw/zinc/11/13/04/705111304.db2.gz WSTPTQZJEKQHMC-ATIWLJMLSA-N 2 0 349.519 1.817 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nc1 ZINC000998031393 705216339 /nfs/dbraw/zinc/21/63/39/705216339.db2.gz LBPKOADXWXBTFX-UHFFFAOYSA-N 2 0 345.491 1.455 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cscn3)CC2)C1 ZINC000998083005 705311007 /nfs/dbraw/zinc/31/10/07/705311007.db2.gz SNMIQRBRTYFBHY-CQSZACIVSA-N 2 0 336.505 1.813 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2ccns2)CC1)C12CC[NH+](CC1)C2 ZINC000998221663 705547191 /nfs/dbraw/zinc/54/71/91/705547191.db2.gz FMQKDJHTSWLAIB-UHFFFAOYSA-N 2 0 334.489 1.567 20 0 EDADRP O=C(N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)C12CC[NH+](CC1)C2 ZINC000998223436 705551000 /nfs/dbraw/zinc/55/10/00/705551000.db2.gz QCWOBIHBLFXUHQ-UHFFFAOYSA-N 2 0 346.450 1.645 20 0 EDADRP O=C(N1CCC(C[NH2+]CC2CCOCC2)CC1)C12CC[NH+](CC1)C2 ZINC000998224482 705553712 /nfs/dbraw/zinc/55/37/12/705553712.db2.gz DLECCQRSBFWCSH-UHFFFAOYSA-N 2 0 335.492 1.337 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC[C@@H]1CCOC1)[NH+](C)C ZINC001032612129 705587387 /nfs/dbraw/zinc/58/73/87/705587387.db2.gz WBVUHADWQLCSGK-VSZNYVQBSA-N 2 0 337.508 1.674 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)sn1 ZINC000998263944 705634174 /nfs/dbraw/zinc/63/41/74/705634174.db2.gz COASMIBKHSBUEF-HNNXBMFYSA-N 2 0 336.505 1.731 20 0 EDADRP Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998268082 705640072 /nfs/dbraw/zinc/64/00/72/705640072.db2.gz BBTWTPYYJXHBET-HNNXBMFYSA-N 2 0 336.505 1.731 20 0 EDADRP CCc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998269258 705644015 /nfs/dbraw/zinc/64/40/15/705644015.db2.gz KYIGIUOPGSYWFC-CQSZACIVSA-N 2 0 349.479 1.617 20 0 EDADRP COc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC000998271481 705650853 /nfs/dbraw/zinc/65/08/53/705650853.db2.gz GMKIBASOHARHPH-KRWDZBQOSA-N 2 0 346.475 1.370 20 0 EDADRP CCn1c(C)nnc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998269873 705651972 /nfs/dbraw/zinc/65/19/72/705651972.db2.gz PGSUJINVJVQMKX-UHFFFAOYSA-N 2 0 348.495 1.030 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998289443 705686585 /nfs/dbraw/zinc/68/65/85/705686585.db2.gz LZSIPJPGPDPSPO-MRXNPFEDSA-N 2 0 335.452 1.272 20 0 EDADRP CCC[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1C(F)(F)F ZINC000998302604 705713031 /nfs/dbraw/zinc/71/30/31/705713031.db2.gz JAPYFOMOCDPEHY-QWHCGFSZSA-N 2 0 333.398 1.861 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)C1 ZINC001032628860 705745803 /nfs/dbraw/zinc/74/58/03/705745803.db2.gz INBQBCWJKTYAQY-IRXDYDNUSA-N 2 0 335.492 1.430 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC(NCc2nnsc2Cl)C1 ZINC000998550644 705986895 /nfs/dbraw/zinc/98/68/95/705986895.db2.gz NWCAJIXXPJVAAU-RTYFJBAXSA-N 2 0 343.884 1.365 20 0 EDADRP CCCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998554593 705989109 /nfs/dbraw/zinc/98/91/09/705989109.db2.gz ZDGRAEQXQVTLGA-GPANFISMSA-N 2 0 348.495 1.170 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC000998732351 706165328 /nfs/dbraw/zinc/16/53/28/706165328.db2.gz RSAVQSWPUDFNEZ-IAGOWNOFSA-N 2 0 333.480 1.175 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC000998763206 706201959 /nfs/dbraw/zinc/20/19/59/706201959.db2.gz MHGFWPRXXCYQTQ-VMWRSERWSA-N 2 0 347.507 1.680 20 0 EDADRP C[C@@H]1CN(C)C[C@H](C(=O)N(C)C2CC([NH2+]Cc3cccc(F)c3)C2)O1 ZINC000998985443 706402897 /nfs/dbraw/zinc/40/28/97/706402897.db2.gz YJHAYNPWRUVYMJ-HELAGCTPSA-N 2 0 349.450 1.624 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999051854 706472639 /nfs/dbraw/zinc/47/26/39/706472639.db2.gz UAQRXQJRWOGFOC-UHFFFAOYSA-N 2 0 343.475 1.492 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH2+]C[C@@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000999154360 706584535 /nfs/dbraw/zinc/58/45/35/706584535.db2.gz UQCYDRLUESBDJJ-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]C[C@@H](O)c3ccccc3)C2)CCC1 ZINC000999349237 706861475 /nfs/dbraw/zinc/86/14/75/706861475.db2.gz RYSHKPAUISBKRN-QZTJIDSGSA-N 2 0 345.487 1.785 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)o1 ZINC000999398997 706894002 /nfs/dbraw/zinc/89/40/02/706894002.db2.gz BJEXRVIKXASJAN-JQRITLKVSA-N 2 0 334.464 1.855 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC000999404355 706912981 /nfs/dbraw/zinc/91/29/81/706912981.db2.gz ZQGLAUCQIQMDEY-IRXDYDNUSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999408046 706917960 /nfs/dbraw/zinc/91/79/60/706917960.db2.gz ZUGFJROLRJOFAA-ZLPCBKJTSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC(C)(C)C3)C2)ncn1 ZINC000999410357 706920191 /nfs/dbraw/zinc/92/01/91/706920191.db2.gz VQIAUOPDFUVGJR-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]CC2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC000999488985 707025049 /nfs/dbraw/zinc/02/50/49/707025049.db2.gz IDYFCDIKHYSOHT-GOSISDBHSA-N 2 0 349.519 1.870 20 0 EDADRP CCc1nocc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681850 707167257 /nfs/dbraw/zinc/16/72/57/707167257.db2.gz JWSRYPPFKJTCOF-IUDNXUCKSA-N 2 0 334.464 1.658 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)NC[C@@H]1CC[N@@H+]1C[C@@H]1CCOC1 ZINC001038555359 707179710 /nfs/dbraw/zinc/17/97/10/707179710.db2.gz LTQCKTQSICUWKG-WMZOPIPTSA-N 2 0 345.487 1.631 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC000999697813 707223565 /nfs/dbraw/zinc/22/35/65/707223565.db2.gz MPZDNLYYUOHRNX-UHFFFAOYSA-N 2 0 334.489 1.626 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCc2ccccc2)C1 ZINC000999698649 707225504 /nfs/dbraw/zinc/22/55/04/707225504.db2.gz SZUJEAJFHVQLPG-UHFFFAOYSA-N 2 0 327.472 1.904 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)nc2C)C1 ZINC001033264886 707287037 /nfs/dbraw/zinc/28/70/37/707287037.db2.gz DXIACUOGQCUTBN-GOSISDBHSA-N 2 0 341.459 1.936 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999792674 707363507 /nfs/dbraw/zinc/36/35/07/707363507.db2.gz OEWBSRXXZKXGBB-WBVHZDCISA-N 2 0 333.476 1.366 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297451 707413486 /nfs/dbraw/zinc/41/34/86/707413486.db2.gz MWXVLZOLCCGYON-WBVHZDCISA-N 2 0 333.476 1.318 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncc(Cl)s2)C1 ZINC000999828048 707456560 /nfs/dbraw/zinc/45/65/60/707456560.db2.gz BGDFJBOSKUOIMO-VOMCLLRMSA-N 2 0 342.896 1.827 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2nccn2C(F)F)C1 ZINC000999831863 707461885 /nfs/dbraw/zinc/46/18/85/707461885.db2.gz MZXTYFAWAQNNLQ-PNESKVBLSA-N 2 0 341.406 1.309 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2cc(F)ccc2F)C1 ZINC000999833694 707465864 /nfs/dbraw/zinc/46/58/64/707465864.db2.gz BTQIPICRESLGKC-UWTIGNOOSA-N 2 0 337.414 1.996 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999876884 707525404 /nfs/dbraw/zinc/52/54/04/707525404.db2.gz VPNFAJHMAZBUHX-JCYILVPMSA-N 2 0 333.480 1.374 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]CCn3cccn3)C2)C1 ZINC000999971564 707581791 /nfs/dbraw/zinc/58/17/91/707581791.db2.gz BVZSWXOQRTVFRO-ZWKOTPCHSA-N 2 0 347.507 1.586 20 0 EDADRP CC(C)[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@H]2CC[N@@H+](C(C)C)C2)nn1 ZINC000999993603 707670938 /nfs/dbraw/zinc/67/09/38/707670938.db2.gz WWIIEQNZAFCGFC-DLBZAZTESA-N 2 0 348.495 1.422 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CCN(Cc2cc(C3CC3)no2)C1 ZINC001033397028 707736544 /nfs/dbraw/zinc/73/65/44/707736544.db2.gz RBSFIJCCKLWWFZ-MRXNPFEDSA-N 2 0 346.475 1.927 20 0 EDADRP Cc1nocc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004974777 707805407 /nfs/dbraw/zinc/80/54/07/707805407.db2.gz AOPAJTLHPYPREY-WBVHZDCISA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)o1 ZINC001004975208 707807925 /nfs/dbraw/zinc/80/79/25/707807925.db2.gz CBZQURLVGRHSQP-RHSMWYFYSA-N 2 0 346.475 1.938 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033421717 707835657 /nfs/dbraw/zinc/83/56/57/707835657.db2.gz GUNBNBHHBAJZTL-GOSISDBHSA-N 2 0 333.476 1.583 20 0 EDADRP Cc1nccn1CC(=O)N1CCCC[C@H]1[C@@H](C)NCc1nncs1 ZINC001004993595 707876361 /nfs/dbraw/zinc/87/63/61/707876361.db2.gz REVMEYKHAVYTHW-OCCSQVGLSA-N 2 0 348.476 1.602 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001033228894 707879431 /nfs/dbraw/zinc/87/94/31/707879431.db2.gz PSAQBIVLZOZEGQ-ADKAHSJRSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H](c1cnccn1)N1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001033475318 707964762 /nfs/dbraw/zinc/96/47/62/707964762.db2.gz OKIAUGPJFBSVDH-RDJZCZTQSA-N 2 0 345.491 1.802 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2cccc(F)c2)C1 ZINC001032781404 707968695 /nfs/dbraw/zinc/96/86/95/707968695.db2.gz UJZVRHLVHQSGEU-NEWSRXKRSA-N 2 0 345.462 1.995 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)Cn1ccnc1C)C1CCC1 ZINC001032784097 707982130 /nfs/dbraw/zinc/98/21/30/707982130.db2.gz GYXJJAGNYSBCQE-ULQDDVLXSA-N 2 0 332.448 1.292 20 0 EDADRP CCn1cc(CC[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001005183688 708134297 /nfs/dbraw/zinc/13/42/97/708134297.db2.gz JNVMRODKWODUBP-SFHVURJKSA-N 2 0 347.507 1.463 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001001401204 708138052 /nfs/dbraw/zinc/13/80/52/708138052.db2.gz CKIRXUHFUZEJMH-NVXWUHKLSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001001772658 708265698 /nfs/dbraw/zinc/26/56/98/708265698.db2.gz NRTBLXYXBUIDFB-MRXNPFEDSA-N 2 0 349.475 1.820 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@@H]3CCCOC3)CC2)CC1 ZINC001001795462 708310127 /nfs/dbraw/zinc/31/01/27/708310127.db2.gz SYSIOIAUUJNRFG-KRWDZBQOSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)sn1 ZINC001002052414 708584331 /nfs/dbraw/zinc/58/43/31/708584331.db2.gz KMAUNLCAWATOQQ-UHFFFAOYSA-N 2 0 348.516 1.876 20 0 EDADRP Cc1cnc([C@H](C)[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002128119 708644826 /nfs/dbraw/zinc/64/48/26/708644826.db2.gz UYGOFNJDTPTWLQ-DOTOQJQBSA-N 2 0 345.491 1.626 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001002128821 708645654 /nfs/dbraw/zinc/64/56/54/708645654.db2.gz ZQQUHLBFSSNZMB-IRXDYDNUSA-N 2 0 337.508 1.581 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033830967 708852659 /nfs/dbraw/zinc/85/26/59/708852659.db2.gz QRXVAIDNTKFKFC-MJGOQNOKSA-N 2 0 349.519 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2nocc2C)C1 ZINC001033837866 708867847 /nfs/dbraw/zinc/86/78/47/708867847.db2.gz KMUTYAJYDHHKGN-BZUAXINKSA-N 2 0 334.464 1.746 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC001005395714 708876822 /nfs/dbraw/zinc/87/68/22/708876822.db2.gz CPDKDHBPHBVISG-APWZRJJASA-N 2 0 349.519 1.678 20 0 EDADRP Cc1nnc([C@H](C)N2CCC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC001005406442 708904491 /nfs/dbraw/zinc/90/44/91/708904491.db2.gz AZOATLHPPNOIOG-DVOMOZLQSA-N 2 0 349.479 1.702 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](CCOC)C1 ZINC001033895964 709013167 /nfs/dbraw/zinc/01/31/67/709013167.db2.gz FLBYPIWRDHKBBL-INIZCTEOSA-N 2 0 343.431 1.450 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906364 709036405 /nfs/dbraw/zinc/03/64/05/709036405.db2.gz OCWBLVWAQBQGDN-SFANZJOMSA-N 2 0 349.519 1.819 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001033907204 709038470 /nfs/dbraw/zinc/03/84/70/709038470.db2.gz RMSKDKQILSLWDL-NNVNDSJASA-N 2 0 347.503 1.739 20 0 EDADRP CN1CCO[C@H](C(=O)NC2CC[NH+](CCCc3ccccc3)CC2)C1 ZINC001002537464 709082477 /nfs/dbraw/zinc/08/24/77/709082477.db2.gz YEYSEGNUQBOKDV-IBGZPJMESA-N 2 0 345.487 1.530 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034016026 709232610 /nfs/dbraw/zinc/23/26/10/709232610.db2.gz KPJUNYFYXSXAIU-IAGOWNOFSA-N 2 0 349.519 1.820 20 0 EDADRP CCn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C2)cn1 ZINC001034130865 709400275 /nfs/dbraw/zinc/40/02/75/709400275.db2.gz LBGGXYPQFRPFMQ-MSOLQXFVSA-N 2 0 347.507 1.510 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000922013086 709425325 /nfs/dbraw/zinc/42/53/25/709425325.db2.gz XTEHRWWDRDUXGI-CQSZACIVSA-N 2 0 348.520 1.659 20 0 EDADRP CCn1ccc(CN2CCC(NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC001002834932 709450755 /nfs/dbraw/zinc/45/07/55/709450755.db2.gz UXJCRJUIKHVAQO-GOSISDBHSA-N 2 0 345.491 1.325 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N[C@@H]1CCCC[NH+](CCCO)C1 ZINC001034248528 709609987 /nfs/dbraw/zinc/60/99/87/709609987.db2.gz DCLAALZUNJVFPD-IAGOWNOFSA-N 2 0 325.497 1.602 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](Cc2ocnc2C)CC1 ZINC001002956603 709659929 /nfs/dbraw/zinc/65/99/29/709659929.db2.gz WVFPHMXBVQOVTA-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001034290430 709715446 /nfs/dbraw/zinc/71/54/46/709715446.db2.gz GIJDQLNCSHLOTI-GOEBONIOSA-N 2 0 330.432 1.954 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CCC[N@@H+]3CCSC[C@@H]23)CCC1 ZINC000922117523 709751060 /nfs/dbraw/zinc/75/10/60/709751060.db2.gz RHWMVEXRANNOCO-KBPBESRZSA-N 2 0 326.510 1.350 20 0 EDADRP CC(C)CC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319122 709768535 /nfs/dbraw/zinc/76/85/35/709768535.db2.gz GRHKRHUCDAUGOO-NRGCRIOASA-N 2 0 349.519 1.866 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC[C@H]3CCOC3)C2)CC1 ZINC001034378266 709898877 /nfs/dbraw/zinc/89/88/77/709898877.db2.gz QNEUQTQOULTALL-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034402662 709948407 /nfs/dbraw/zinc/94/84/07/709948407.db2.gz RUZUETQSQNPKLU-AEFFLSMTSA-N 2 0 330.476 1.894 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463745 710033470 /nfs/dbraw/zinc/03/34/70/710033470.db2.gz VNGBQNSMYVOKQT-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CO[C@@H](C[N@@H+]1CCCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001034491561 710111667 /nfs/dbraw/zinc/11/16/67/710111667.db2.gz UTCDWFZOPCROGJ-MSOLQXFVSA-N 2 0 349.519 1.868 20 0 EDADRP O=C(NC1CCN(Cc2cncs2)CC1)[C@H]1CCc2cncn2C1 ZINC001003195539 710131008 /nfs/dbraw/zinc/13/10/08/710131008.db2.gz ZABLEJOYDOCIGL-ZDUSSCGKSA-N 2 0 345.472 1.683 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)O1 ZINC001003242738 710165419 /nfs/dbraw/zinc/16/54/19/710165419.db2.gz HEBIDZSFFHLTRB-DOTOQJQBSA-N 2 0 335.492 1.763 20 0 EDADRP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034523860 710171918 /nfs/dbraw/zinc/17/19/18/710171918.db2.gz CELWXKAVVCFDJF-AEFFLSMTSA-N 2 0 330.476 1.812 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C2)o1 ZINC001034526488 710178497 /nfs/dbraw/zinc/17/84/97/710178497.db2.gz YPVBDRAPLMOKQK-HOTGVXAUSA-N 2 0 348.491 1.968 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](C[C@@H](O)c2ccccc2)C1 ZINC001034527503 710180836 /nfs/dbraw/zinc/18/08/36/710180836.db2.gz FCLQKSKVSIZXOU-RBUKOAKNSA-N 2 0 345.487 1.787 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)C1 ZINC001034534519 710206051 /nfs/dbraw/zinc/20/60/51/710206051.db2.gz LYYYRJKDFKXNFJ-MOPGFXCFSA-N 2 0 345.487 1.878 20 0 EDADRP O=C(NC1CC[NH+](CCC2CC2)CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003330333 710264235 /nfs/dbraw/zinc/26/42/35/710264235.db2.gz AVHGAXMAGLGNAC-URSIVYNOSA-N 2 0 333.476 1.230 20 0 EDADRP CCc1ccc([C@@H](O)C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032838306 710279283 /nfs/dbraw/zinc/27/92/83/710279283.db2.gz HWWVCGFHPLKAAN-QRVBRYPASA-N 2 0 345.487 1.567 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001034645107 710321480 /nfs/dbraw/zinc/32/14/80/710321480.db2.gz QHVMDJUICYQEHG-KCYZZUKISA-N 2 0 347.463 1.461 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001034647458 710324295 /nfs/dbraw/zinc/32/42/95/710324295.db2.gz IKUQGOZXACBCND-KLHDSHLOSA-N 2 0 333.480 1.277 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034647971 710324516 /nfs/dbraw/zinc/32/45/16/710324516.db2.gz CIQSRAVDBOFORK-DDBAPUKQSA-N 2 0 335.492 1.382 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](C[C@H](C)OC)CC2)C1 ZINC001003482310 710376717 /nfs/dbraw/zinc/37/67/17/710376717.db2.gz FROVSKOEDVYIMZ-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001003509219 710390257 /nfs/dbraw/zinc/39/02/57/710390257.db2.gz ZIFQMCDTVSQSMR-BQFCYCMXSA-N 2 0 337.508 1.866 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)c1 ZINC000922203356 710416275 /nfs/dbraw/zinc/41/62/75/710416275.db2.gz BYGWLECXKGYAKO-QGZVFWFLSA-N 2 0 331.464 1.964 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](C[C@@H]3CCCCO3)CC2)C1 ZINC001003631116 710460364 /nfs/dbraw/zinc/46/03/64/710460364.db2.gz RHOWWSSFCAGEPF-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC001003632794 710461246 /nfs/dbraw/zinc/46/12/46/710461246.db2.gz CIXQUAKKURLQFE-MAUKXSAKSA-N 2 0 347.507 1.224 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003633766 710461839 /nfs/dbraw/zinc/46/18/39/710461839.db2.gz HRQRJXUXTBPABT-GUYCJALGSA-N 2 0 333.480 1.007 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001003740450 710520431 /nfs/dbraw/zinc/52/04/31/710520431.db2.gz KCJXVTWXVRRWKE-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ncccn3)CC2)CC[N@@H+]1C ZINC001034716473 710858201 /nfs/dbraw/zinc/85/82/01/710858201.db2.gz KKMBVDWUFRDMQN-QAETUUGQSA-N 2 0 345.491 1.724 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034734988 710919257 /nfs/dbraw/zinc/91/92/57/710919257.db2.gz CZJDSVNPQBUVQV-JYJNAYRXSA-N 2 0 333.480 1.421 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)s1 ZINC001032946216 710927003 /nfs/dbraw/zinc/92/70/03/710927003.db2.gz UVWCJSMOBKOPJQ-GJZGRUSLSA-N 2 0 336.505 1.887 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)Cc2c[nH]cn2)CC1 ZINC001034744217 710937123 /nfs/dbraw/zinc/93/71/23/710937123.db2.gz OMTXGUHBFOKTGX-HDJSIYSDSA-N 2 0 331.420 1.774 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C[C@H](C)O)CC1 ZINC001003940506 711034000 /nfs/dbraw/zinc/03/40/00/711034000.db2.gz LETMSVUSWJFKNX-DOTOQJQBSA-N 2 0 325.497 1.602 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC001034775761 711050341 /nfs/dbraw/zinc/05/03/41/711050341.db2.gz UCAFMCVKPNPFJT-BRWVUGGUSA-N 2 0 325.497 1.650 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034778350 711079530 /nfs/dbraw/zinc/07/95/30/711079530.db2.gz HYXSZFIYOBCIKV-JYJNAYRXSA-N 2 0 333.480 1.279 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335613 711086435 /nfs/dbraw/zinc/08/64/35/711086435.db2.gz SQINCYSHSFYSGB-IEBWSBKVSA-N 2 0 330.476 1.902 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034792416 711119272 /nfs/dbraw/zinc/11/92/72/711119272.db2.gz JCZNWPLXHRTVEQ-XGUBFFRZSA-N 2 0 349.479 1.662 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034954903 711421825 /nfs/dbraw/zinc/42/18/25/711421825.db2.gz XCNSBPOSZVZQSA-SJORKVTESA-N 2 0 333.480 1.375 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)on1 ZINC001034959862 711435806 /nfs/dbraw/zinc/43/58/06/711435806.db2.gz GVPAZGKZLAUZFB-CJNGLKHVSA-N 2 0 336.436 1.104 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922516637 711635723 /nfs/dbraw/zinc/63/57/23/711635723.db2.gz SQRWWJYSFUMIJN-OAGGEKHMSA-N 2 0 342.553 1.986 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)C1 ZINC001033144436 711979469 /nfs/dbraw/zinc/97/94/69/711979469.db2.gz XGJYUNHIUCPHFL-ROUUACIJSA-N 2 0 337.508 1.819 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC([C@@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597577 712040096 /nfs/dbraw/zinc/04/00/96/712040096.db2.gz SGROAUSAVIDMKP-AEFFLSMTSA-N 2 0 337.508 1.414 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662821 712291259 /nfs/dbraw/zinc/29/12/59/712291259.db2.gz QCUPILUYLZVCNK-OKZBNKHCSA-N 2 0 349.519 1.820 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1csc(Br)c1 ZINC000053299132 214176072 /nfs/dbraw/zinc/17/60/72/214176072.db2.gz KILDFORNWCFHRV-UHFFFAOYSA-N 2 0 346.294 1.764 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522823 214378469 /nfs/dbraw/zinc/37/84/69/214378469.db2.gz QZJQMWKBAYOXIU-CQSZACIVSA-N 2 0 326.485 1.520 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558722702 306245951 /nfs/dbraw/zinc/24/59/51/306245951.db2.gz OIKMTBQXGQSMGE-ARFHVFGLSA-N 2 0 343.537 1.511 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C[C@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000340116736 282274769 /nfs/dbraw/zinc/27/47/69/282274769.db2.gz OAVNQQFHFZWTJM-ZACQAIPSSA-N 2 0 325.497 1.757 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000560315372 306264181 /nfs/dbraw/zinc/26/41/81/306264181.db2.gz SKPWKGPKCQJNNT-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000560756907 306278686 /nfs/dbraw/zinc/27/86/86/306278686.db2.gz MVBDLJBIFZQWJV-XHSDSOJGSA-N 2 0 327.513 1.167 20 0 EDADRP C[C@@H](CNC(=O)NCC[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000561151721 306282957 /nfs/dbraw/zinc/28/29/57/306282957.db2.gz QQYRUDMLVGQNJL-HOTGVXAUSA-N 2 0 330.476 1.732 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCC[N@H+](C)C1CC1 ZINC000412426590 304007023 /nfs/dbraw/zinc/00/70/23/304007023.db2.gz NPNPGRLTRDAALQ-QGZVFWFLSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000249170235 539697707 /nfs/dbraw/zinc/69/77/07/539697707.db2.gz ATVMIJNCRRWEIO-BBWFWOEESA-N 2 0 340.512 1.374 20 0 EDADRP COCCN(C)C[C@H](O)C[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000562441642 306298585 /nfs/dbraw/zinc/29/85/85/306298585.db2.gz CNCICXTXLKKBJH-MOPGFXCFSA-N 2 0 335.492 1.526 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000563088873 306318455 /nfs/dbraw/zinc/31/84/55/306318455.db2.gz ANFIOJJZSKCSNK-RTBURBONSA-N 2 0 344.503 1.183 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000563337761 306328179 /nfs/dbraw/zinc/32/81/79/306328179.db2.gz ARSHRNYBKUUKNU-UHFFFAOYSA-N 2 0 345.487 1.953 20 0 EDADRP C[C@H](CNC(=O)Nc1cccc2c1CC[NH2+]C2)C[NH+]1CCN(C)CC1 ZINC000563499050 306335881 /nfs/dbraw/zinc/33/58/81/306335881.db2.gz JYEMTRMAVYZNSB-OAHLLOKOSA-N 2 0 345.491 1.337 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959417 138137087 /nfs/dbraw/zinc/13/70/87/138137087.db2.gz XFCWZKFKSKDPBX-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000073897036 138221870 /nfs/dbraw/zinc/22/18/70/138221870.db2.gz PSHOBTPNEUSOPU-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000083215325 138269073 /nfs/dbraw/zinc/26/90/73/138269073.db2.gz LILZZZBBISFDDU-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CCC[C@@H]1C[NH3+])[NH+]1CCCC1 ZINC000563560701 306339062 /nfs/dbraw/zinc/33/90/62/306339062.db2.gz UEFIEZRCTJVYGZ-NVXWUHKLSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028786 138277399 /nfs/dbraw/zinc/27/73/99/138277399.db2.gz VTKUADBPMRYECT-QAPCUYQASA-N 2 0 331.460 1.779 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC([NH+]3CCCC3)CC2)CC1 ZINC000114456548 138310247 /nfs/dbraw/zinc/31/02/47/138310247.db2.gz WWWBKDLXLOYBCL-UHFFFAOYSA-N 2 0 336.524 1.536 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000114789483 138310527 /nfs/dbraw/zinc/31/05/27/138310527.db2.gz IVLJSVMSXBTZNG-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP O=c1c2ccccc2ncn1CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000563668504 306344363 /nfs/dbraw/zinc/34/43/63/306344363.db2.gz ACDQHDCDBLVGST-QGZVFWFLSA-N 2 0 326.444 1.861 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000344177758 283260041 /nfs/dbraw/zinc/26/00/41/283260041.db2.gz SBWJTUXZBRIVCS-KDURUIRLSA-N 2 0 338.540 1.199 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000186724341 235997117 /nfs/dbraw/zinc/99/71/17/235997117.db2.gz UQVSLVHOPMDKDV-FUHWJXTLSA-N 2 0 330.476 1.313 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000564321458 306358203 /nfs/dbraw/zinc/35/82/03/306358203.db2.gz KZFGMBKIUOUPND-GJZGRUSLSA-N 2 0 336.432 1.477 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC)C2)C[C@@H]1CC ZINC000413829860 304078911 /nfs/dbraw/zinc/07/89/11/304078911.db2.gz FMJQCSJGDVVIAY-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333589642 296024739 /nfs/dbraw/zinc/02/47/39/296024739.db2.gz UZPKEGXGBAWRLJ-JYKMILSKSA-N 2 0 334.508 1.909 20 0 EDADRP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000414183851 304104670 /nfs/dbraw/zinc/10/46/70/304104670.db2.gz NYROXSPREKDZSR-KGLIPLIRSA-N 2 0 325.478 1.717 20 0 EDADRP CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)n1 ZINC000414478053 304117739 /nfs/dbraw/zinc/11/77/39/304117739.db2.gz DAIALMIBETXBAU-UHFFFAOYSA-N 2 0 348.491 1.367 20 0 EDADRP C[NH+](C)Cc1ccc(-c2noc(-c3cn(CCCC[NH3+])nn3)n2)cc1 ZINC000414480480 304117931 /nfs/dbraw/zinc/11/79/31/304117931.db2.gz KHNPRPYPYLRICU-UHFFFAOYSA-N 2 0 341.419 1.796 20 0 EDADRP CCCn1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414490464 304119811 /nfs/dbraw/zinc/11/98/11/304119811.db2.gz XPLHUKPPZOSOQD-UHFFFAOYSA-N 2 0 335.496 1.179 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000414695461 304128208 /nfs/dbraw/zinc/12/82/08/304128208.db2.gz GMHXUNDCEPKOLX-APHBMKBZSA-N 2 0 330.432 1.388 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)C1 ZINC000414699115 304129494 /nfs/dbraw/zinc/12/94/94/304129494.db2.gz RRGDXXLPJPCXFM-ZBFHGGJFSA-N 2 0 345.443 1.750 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000359350372 283921495 /nfs/dbraw/zinc/92/14/95/283921495.db2.gz XKQBSGYWEDIKON-IKGGRYGDSA-N 2 0 325.497 1.865 20 0 EDADRP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414703103 304129866 /nfs/dbraw/zinc/12/98/66/304129866.db2.gz LRWKSRSQWLFQQO-HNNXBMFYSA-N 2 0 337.439 1.724 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414701683 304130023 /nfs/dbraw/zinc/13/00/23/304130023.db2.gz KNZWXVITVDMKRL-RBSFLKMASA-N 2 0 346.475 1.881 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414731727 304134129 /nfs/dbraw/zinc/13/41/29/304134129.db2.gz AQGZQKDMYWLQKC-ILXRZTDVSA-N 2 0 346.475 1.881 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000414838655 304146406 /nfs/dbraw/zinc/14/64/06/304146406.db2.gz INCLZXBSDRXBEC-MRXNPFEDSA-N 2 0 348.491 1.827 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)nc2)CC1 ZINC000566735628 306426981 /nfs/dbraw/zinc/42/69/81/306426981.db2.gz MGSDWRHVAQVMNE-UHFFFAOYSA-N 2 0 337.427 1.689 20 0 EDADRP COc1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c(OC)c1 ZINC000414987971 304148166 /nfs/dbraw/zinc/14/81/66/304148166.db2.gz OXUQNIFTRTXOPU-HNNXBMFYSA-N 2 0 347.381 1.630 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414996698 304149344 /nfs/dbraw/zinc/14/93/44/304149344.db2.gz XPYPYIMAGFZDTB-LSDHHAIUSA-N 2 0 346.475 1.739 20 0 EDADRP CC(=O)Nc1ccccc1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995305 304149399 /nfs/dbraw/zinc/14/93/99/304149399.db2.gz WGVQHPQFJNWALQ-HNNXBMFYSA-N 2 0 344.381 1.571 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)CCC[NH3+])CC2)cc1 ZINC000415022394 304151669 /nfs/dbraw/zinc/15/16/69/304151669.db2.gz LPHWRXBGNUDFMB-HNNXBMFYSA-N 2 0 339.505 1.865 20 0 EDADRP Fc1ccc(CC[NH+]2CCC(NC[C@@H]3C[NH2+]CCCO3)CC2)cc1 ZINC000415046254 304154165 /nfs/dbraw/zinc/15/41/65/304154165.db2.gz UTOXOOOSKPTNMB-IBGZPJMESA-N 2 0 335.467 1.801 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000193616528 138973707 /nfs/dbraw/zinc/97/37/07/138973707.db2.gz WVYGUBQSBGBIKA-MAUKXSAKSA-N 2 0 330.476 1.304 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COCc1cccc(Cl)c1 ZINC000567134043 306438977 /nfs/dbraw/zinc/43/89/77/306438977.db2.gz QLVXLDIPVPTUHP-UHFFFAOYSA-N 2 0 341.883 1.808 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000415093788 304158904 /nfs/dbraw/zinc/15/89/04/304158904.db2.gz VYPUSQYYJVFHMP-OAHLLOKOSA-N 2 0 327.432 1.159 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000195154419 139008095 /nfs/dbraw/zinc/00/80/95/139008095.db2.gz INJKOMHQFSISQF-LJQANCHMSA-N 2 0 344.503 1.440 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000236767241 139030748 /nfs/dbraw/zinc/03/07/48/139030748.db2.gz MKRRNIGOWQAZTN-ZWKOTPCHSA-N 2 0 333.476 1.719 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000237065215 139039599 /nfs/dbraw/zinc/03/95/99/139039599.db2.gz WSVDVLQCUSOPMT-QXAKKESOSA-N 2 0 346.519 1.855 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)C3CC[NH2+]CC3)CC2)c1 ZINC000237068498 139039614 /nfs/dbraw/zinc/03/96/14/139039614.db2.gz VWDTWITYPJYLSW-UHFFFAOYSA-N 2 0 344.503 1.718 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCC1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000237189456 139043448 /nfs/dbraw/zinc/04/34/48/139043448.db2.gz HPAGXSDGYSYTBL-OAHLLOKOSA-N 2 0 333.476 1.879 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@@H]([NH3+])c3ccccc3)CC2)CC1 ZINC000237164086 139042760 /nfs/dbraw/zinc/04/27/60/139042760.db2.gz JWGBXNCAJMCWFF-LJQANCHMSA-N 2 0 344.503 1.751 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000237196899 139043705 /nfs/dbraw/zinc/04/37/05/139043705.db2.gz DLZJZDGHWMQDHZ-CQSZACIVSA-N 2 0 325.478 1.312 20 0 EDADRP C[C@H](c1ccccc1Cl)N1CCN(C(=O)[C@H]2COCCN2)CC1 ZINC000237435097 139051019 /nfs/dbraw/zinc/05/10/19/139051019.db2.gz PNXKJTCFEOLVLN-CZUORRHYSA-N 2 0 337.851 1.534 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H](C)C1 ZINC000415189567 304172884 /nfs/dbraw/zinc/17/28/84/304172884.db2.gz HHFUHKFLUADAHH-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H](c1cccnc1)N1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000237492208 139052523 /nfs/dbraw/zinc/05/25/23/139052523.db2.gz XWIJQUSISPDJMP-HOCLYGCPSA-N 2 0 334.489 1.382 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H]2CSCC[NH2+]2)C1 ZINC000237545656 139053694 /nfs/dbraw/zinc/05/36/94/139053694.db2.gz CELYPPPZYSOQCQ-RBSFLKMASA-N 2 0 327.538 1.954 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2C[C@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000415224498 304175907 /nfs/dbraw/zinc/17/59/07/304175907.db2.gz HGADWMGSCLNTNO-JKIFEVAISA-N 2 0 344.459 1.730 20 0 EDADRP COc1cc(CNC(=O)C2CC[NH+](C)CC2)ccc1OCC[NH+](C)C ZINC000081314857 217381673 /nfs/dbraw/zinc/38/16/73/217381673.db2.gz FCGWSFQDHQDEPE-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP O=C(NCCCN1CC[NH2+]CC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000238027375 139067003 /nfs/dbraw/zinc/06/70/03/139067003.db2.gz RUKFVTLPINSGFX-LJQANCHMSA-N 2 0 344.503 1.310 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](O)COCc2ccc(OC)cc2)C1 ZINC000245446897 139075198 /nfs/dbraw/zinc/07/51/98/139075198.db2.gz LPECWKACPDWABQ-QZTJIDSGSA-N 2 0 336.476 1.846 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000245641586 139081805 /nfs/dbraw/zinc/08/18/05/139081805.db2.gz YRVOEKHBCZCMJG-OWLYRPNTSA-N 2 0 337.508 1.458 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH3+])C2)c1 ZINC000415274352 304183364 /nfs/dbraw/zinc/18/33/64/304183364.db2.gz UGKDPWJZCCMZCX-HNNXBMFYSA-N 2 0 332.448 1.417 20 0 EDADRP CNC(=O)[C@@H]1CCCC[N@@H+]1C[C@H](O)Cn1cnc2cc(C)c(C)cc21 ZINC000245931733 139090482 /nfs/dbraw/zinc/09/04/82/139090482.db2.gz ZEPLJMKNGSTIKJ-RDJZCZTQSA-N 2 0 344.459 1.615 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[C@H](C)O1 ZINC000246437549 139108386 /nfs/dbraw/zinc/10/83/86/139108386.db2.gz NEHYYGKLSWCPEX-BJWYYQGGSA-N 2 0 327.513 1.922 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1=O ZINC000247023038 139131716 /nfs/dbraw/zinc/13/17/16/139131716.db2.gz XZJGIPWLHHWFNQ-GOEBONIOSA-N 2 0 348.491 1.656 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCCN1CCC(O)CC1 ZINC000247055828 139133631 /nfs/dbraw/zinc/13/36/31/139133631.db2.gz NMGWBQNRDKDJHD-FXAWDEMLSA-N 2 0 346.519 1.728 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCC[C@H]1C ZINC000247649776 139153360 /nfs/dbraw/zinc/15/33/60/139153360.db2.gz WHFDKLOCZIDKGN-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP O[C@@H](C[NH+]1CC[C@@H]2OCCC[C@@H]2C1)C[N@@H+]1CC[C@H]2OCCC[C@@H]2C1 ZINC000248762843 139174466 /nfs/dbraw/zinc/17/44/66/139174466.db2.gz YYQKYZCIJSOZOK-NNIGNNQHSA-N 2 0 338.492 1.349 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000248818771 139176157 /nfs/dbraw/zinc/17/61/57/139176157.db2.gz UYXPGDMTJPGHEB-NEPXVJNWSA-N 2 0 345.487 1.326 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415411654 304216680 /nfs/dbraw/zinc/21/66/80/304216680.db2.gz BJIVXGAQNUEEIP-OAHLLOKOSA-N 2 0 346.475 1.663 20 0 EDADRP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)N3CC[NH+](C)CC3)c(C)n2n1 ZINC000093405435 218222156 /nfs/dbraw/zinc/22/21/56/218222156.db2.gz HVUPLXHSNJHXDH-LSDHHAIUSA-N 2 0 330.480 1.633 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000264474081 284754956 /nfs/dbraw/zinc/75/49/56/284754956.db2.gz YLHHERSIKVUKNZ-PKOBYXMFSA-N 2 0 346.519 1.822 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)c1ccccc1 ZINC000357269795 284755029 /nfs/dbraw/zinc/75/50/29/284755029.db2.gz ITCOFJUNLBQXIO-IEBWSBKVSA-N 2 0 333.476 1.954 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1ccsc1 ZINC000269229463 284767752 /nfs/dbraw/zinc/76/77/52/284767752.db2.gz HMRGKFHPERTOBA-CABCVRRESA-N 2 0 325.478 1.626 20 0 EDADRP C[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@H]1C)C[NH+]1CCN(C)CC1 ZINC000250110353 139200422 /nfs/dbraw/zinc/20/04/22/139200422.db2.gz KTXCEDVUZJEPTF-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP COCC1(CNC(=O)c2sccc2C[NH+](C)C)CC[NH2+]CC1 ZINC000261625069 139212349 /nfs/dbraw/zinc/21/23/49/139212349.db2.gz AFMRYFOBWNCPKH-UHFFFAOYSA-N 2 0 325.478 1.556 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000261613962 139211059 /nfs/dbraw/zinc/21/10/59/139211059.db2.gz BOCWOFGZJSXNKB-OLMNPRSZSA-N 2 0 331.460 1.520 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1OC(F)F ZINC000261746458 139222684 /nfs/dbraw/zinc/22/26/84/139222684.db2.gz UFKJAOVSRPQRSA-CQSZACIVSA-N 2 0 341.402 1.776 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N(C)C[C@@H]3CCC[NH2+]C3)C2=O)c1 ZINC000261792235 139226471 /nfs/dbraw/zinc/22/64/71/139226471.db2.gz GGTGRNDESOUQAA-KDOFPFPSSA-N 2 0 347.459 1.741 20 0 EDADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000261819630 139228789 /nfs/dbraw/zinc/22/87/89/139228789.db2.gz XVGNVCAQKFNTBR-IBGZPJMESA-N 2 0 344.459 1.813 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCC[C@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000261966551 139240599 /nfs/dbraw/zinc/24/05/99/139240599.db2.gz LPNSNADEBDVPMA-ABAIWWIYSA-N 2 0 340.265 1.739 20 0 EDADRP O=C(CC[N@@H+]1CC[C@@H](COCc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000261990444 139242193 /nfs/dbraw/zinc/24/21/93/139242193.db2.gz CSFUBCSXDHNBFL-GOSISDBHSA-N 2 0 331.460 1.347 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1ccn(-c2ccccc2)n1 ZINC000262066007 139247835 /nfs/dbraw/zinc/24/78/35/139247835.db2.gz RPIMRTQIDDQIIQ-SFHVURJKSA-N 2 0 341.459 1.692 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)ccc1OC(C)C ZINC000262107248 139251368 /nfs/dbraw/zinc/25/13/68/139251368.db2.gz JVJRCPYSUPFKHM-QGZVFWFLSA-N 2 0 333.476 1.962 20 0 EDADRP COC[C@]1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[NH2+]C1 ZINC000262126334 139253161 /nfs/dbraw/zinc/25/31/61/139253161.db2.gz CLPOPYHXSWBLPO-FQEVSTJZSA-N 2 0 345.487 1.915 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262135526 139254021 /nfs/dbraw/zinc/25/40/21/139254021.db2.gz ORSRBTNTFJXYNS-GFCCVEGCSA-N 2 0 343.830 1.645 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415948871 251038862 /nfs/dbraw/zinc/03/88/62/251038862.db2.gz DVRKTQDOLHPPIL-UHFFFAOYSA-N 2 0 348.369 1.600 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1C[NH+](C)C ZINC000415775867 251025909 /nfs/dbraw/zinc/02/59/09/251025909.db2.gz HJLQVWWECSEFEY-WBVHZDCISA-N 2 0 344.459 1.206 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000416871334 251113998 /nfs/dbraw/zinc/11/39/98/251113998.db2.gz JRSAUBRXALQNEW-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP C[N@H+](CCCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)Cc1ccccc1 ZINC000416874303 251114140 /nfs/dbraw/zinc/11/41/40/251114140.db2.gz PHBYYKGANKLHCT-BZSNNMDCSA-N 2 0 330.476 1.887 20 0 EDADRP CN(C(=O)NCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]CC1 ZINC000417009599 251128130 /nfs/dbraw/zinc/12/81/30/251128130.db2.gz NRZUQIBUTVEFNK-SFHVURJKSA-N 2 0 330.476 1.828 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)c1ccsc1 ZINC000417007442 251129147 /nfs/dbraw/zinc/12/91/47/251129147.db2.gz KUGLZTFALPOGNL-LSDHHAIUSA-N 2 0 340.493 1.500 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[NH2+][C@@H](C)C1)Cc1ccccc1 ZINC000417012899 251130514 /nfs/dbraw/zinc/13/05/14/251130514.db2.gz XYCJZAOQDFVYOZ-WMZOPIPTSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@H](C)[C@H](C)[NH3+])cc1 ZINC000416999668 251125538 /nfs/dbraw/zinc/12/55/38/251125538.db2.gz XWXOWXPZYZHGAA-LSDHHAIUSA-N 2 0 336.480 1.942 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH2+]C1 ZINC000417088489 251141540 /nfs/dbraw/zinc/14/15/40/251141540.db2.gz HHBZKBJZUSUNNO-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)C[NH+]1CCCCC1 ZINC000417172567 251145341 /nfs/dbraw/zinc/14/53/41/251145341.db2.gz FTLBQROUTXJYIP-INIZCTEOSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417222553 251148480 /nfs/dbraw/zinc/14/84/80/251148480.db2.gz QGBVBKNAHSVBDJ-YVSFHVDLSA-N 2 0 336.524 1.994 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417255682 251149651 /nfs/dbraw/zinc/14/96/51/251149651.db2.gz PZMCPYNCZHUXDD-WRQOLXDDSA-N 2 0 340.512 1.501 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)[NH+](C)C)cc1 ZINC000417309534 251154187 /nfs/dbraw/zinc/15/41/87/251154187.db2.gz IUCBDPWVNLEMID-KSZLIROESA-N 2 0 330.476 1.849 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262403167 139276545 /nfs/dbraw/zinc/27/65/45/139276545.db2.gz ZYXOLHLBHWOTOX-RTBURBONSA-N 2 0 344.503 1.576 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH2+]C)C2)[C@H](C)C1 ZINC000417672330 251222918 /nfs/dbraw/zinc/22/29/18/251222918.db2.gz SNVTZDJLMTWSOO-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](Cc2ccc(S(=O)(=O)N(C)C)cc2)CC1 ZINC000262419721 139277989 /nfs/dbraw/zinc/27/79/89/139277989.db2.gz DXCJRTAQUTYNBC-ZDUSSCGKSA-N 2 0 325.478 1.496 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262424180 139278198 /nfs/dbraw/zinc/27/81/98/139278198.db2.gz SASRCQUZNIIFKD-MRXNPFEDSA-N 2 0 349.500 1.861 20 0 EDADRP C[N@H+](CCNC(=O)N1CCCO[C@H](C[NH3+])C1)Cc1ccc(F)cc1 ZINC000417829518 251288951 /nfs/dbraw/zinc/28/89/51/251288951.db2.gz RERFIAVGJCLEQC-MRXNPFEDSA-N 2 0 338.427 1.017 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000417836405 251292564 /nfs/dbraw/zinc/29/25/64/251292564.db2.gz OQHZJFPNYHRIQR-DZGCQCFKSA-N 2 0 327.432 1.479 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)CC1 ZINC000417806659 251278133 /nfs/dbraw/zinc/27/81/33/251278133.db2.gz IZCKXLULQYDCEA-HOTGVXAUSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000417880110 251310607 /nfs/dbraw/zinc/31/06/07/251310607.db2.gz SLOKPBBSLZPRFX-DDBAPUKQSA-N 2 0 328.460 1.653 20 0 EDADRP O=C(Nc1ncc(C2CC[NH2+]CC2)s1)c1cc([C@H]2CC[NH2+]C2)[nH]n1 ZINC000417850954 251296668 /nfs/dbraw/zinc/29/66/68/251296668.db2.gz YDGOEANLOZFFGR-NSHDSACASA-N 2 0 346.460 1.662 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417860508 251302552 /nfs/dbraw/zinc/30/25/52/251302552.db2.gz YKLHXZKZJBYKSK-GJZGRUSLSA-N 2 0 326.485 1.399 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CCC(OCCC[NH3+])CC2)C1 ZINC000417860510 251302574 /nfs/dbraw/zinc/30/25/74/251302574.db2.gz YKLHXZKZJBYKSK-LSDHHAIUSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@@H](NC(=O)NCc1ccncc1OCC[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000418196279 251355094 /nfs/dbraw/zinc/35/50/94/251355094.db2.gz RAGPFLRBCBGQAD-CABCVRRESA-N 2 0 349.479 1.209 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000418202212 251357057 /nfs/dbraw/zinc/35/70/57/251357057.db2.gz BZDFTSUMCCAMOE-SFHVURJKSA-N 2 0 346.475 1.063 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000418320482 251359344 /nfs/dbraw/zinc/35/93/44/251359344.db2.gz QJQJXNZOHPUAPG-JCGIZDLHSA-N 2 0 346.475 1.440 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000418348086 251361987 /nfs/dbraw/zinc/36/19/87/251361987.db2.gz RAZFSCFKAUVIHZ-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000418408112 251365947 /nfs/dbraw/zinc/36/59/47/251365947.db2.gz UEGFCXFNQJKHQP-BBWFWOEESA-N 2 0 332.448 1.177 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418715010 251393264 /nfs/dbraw/zinc/39/32/64/251393264.db2.gz QQSUUYIYFDHLNM-ZDUSSCGKSA-N 2 0 332.395 1.725 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418526735 251375945 /nfs/dbraw/zinc/37/59/45/251375945.db2.gz PYRSBUQXPYDFCI-ROUUACIJSA-N 2 0 330.476 1.759 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)C1 ZINC000418942908 251444863 /nfs/dbraw/zinc/44/48/63/251444863.db2.gz YJZRPJXSNLFTGG-HOTGVXAUSA-N 2 0 338.496 1.002 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[NH2+]CC2CC2)[NH+]2CCCC2)c1 ZINC000262643148 139292578 /nfs/dbraw/zinc/29/25/78/139292578.db2.gz MDGTYYHMRBKWFO-GOSISDBHSA-N 2 0 331.460 1.948 20 0 EDADRP CC[C@H]([NH3+])C(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262665358 139294558 /nfs/dbraw/zinc/29/45/58/139294558.db2.gz IZSYATFYVJDCIY-HNNXBMFYSA-N 2 0 333.436 1.578 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000262668828 139294996 /nfs/dbraw/zinc/29/49/96/139294996.db2.gz MBQNAFOIQRQTCG-RCCFBDPRSA-N 2 0 339.524 1.972 20 0 EDADRP [NH3+]C1(C(=O)NCCC[NH+]2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC000262699832 139297290 /nfs/dbraw/zinc/29/72/90/139297290.db2.gz HBVUPGLBJQFOMB-UHFFFAOYSA-N 2 0 336.867 1.460 20 0 EDADRP C[C@@H](CNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)[NH+]1CCC(C)CC1 ZINC000262729292 139299445 /nfs/dbraw/zinc/29/94/45/139299445.db2.gz HUWBGNTXLJQPLC-HOTGVXAUSA-N 2 0 333.480 1.658 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000569617270 306513531 /nfs/dbraw/zinc/51/35/31/306513531.db2.gz WRYTZACXUZFXPX-LJQANCHMSA-N 2 0 331.460 1.145 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262861434 139308727 /nfs/dbraw/zinc/30/87/27/139308727.db2.gz UDYKSMQFTCNUMN-YJBOKZPZSA-N 2 0 330.476 1.162 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000422874754 252007537 /nfs/dbraw/zinc/00/75/37/252007537.db2.gz AZZZYZWDGDYYHH-WDSOQIARSA-N 2 0 346.519 1.477 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1OC ZINC000422877317 252008190 /nfs/dbraw/zinc/00/81/90/252008190.db2.gz HOVBSMMUGQPVMB-UHFFFAOYSA-N 2 0 349.475 1.817 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1 ZINC000422897609 252015604 /nfs/dbraw/zinc/01/56/04/252015604.db2.gz CHBLAMJTSHCWNK-GOEBONIOSA-N 2 0 339.505 1.803 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422760441 251969145 /nfs/dbraw/zinc/96/91/45/251969145.db2.gz LSRWUJCHXUXSST-CYBMUJFWSA-N 2 0 342.443 1.938 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423354020 252050487 /nfs/dbraw/zinc/05/04/87/252050487.db2.gz CMGFPBNNUOQXTJ-OKILXGFUSA-N 2 0 336.484 1.113 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000423670189 252065728 /nfs/dbraw/zinc/06/57/28/252065728.db2.gz LXTXZAFTOGZMOS-ROUUACIJSA-N 2 0 331.460 1.491 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423737358 252067024 /nfs/dbraw/zinc/06/70/24/252067024.db2.gz TWTUEKNZLKFTNP-KRWDZBQOSA-N 2 0 331.460 1.872 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CCOC1C[NH2+]C1 ZINC000423736228 252067146 /nfs/dbraw/zinc/06/71/46/252067146.db2.gz BGEFVOAKBZQMBX-UHFFFAOYSA-N 2 0 341.402 1.234 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[NH2+]C1 ZINC000423777423 252070941 /nfs/dbraw/zinc/07/09/41/252070941.db2.gz RGPFJNJREHUGDJ-IBGZPJMESA-N 2 0 331.460 1.890 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(=O)N2CCOCC2)c1 ZINC000422906394 252018721 /nfs/dbraw/zinc/01/87/21/252018721.db2.gz UZVKKTZJSKZZKG-QZTJIDSGSA-N 2 0 331.460 1.766 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913233 252020849 /nfs/dbraw/zinc/02/08/49/252020849.db2.gz POTPRRGNJNPDDM-QFBILLFUSA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)[C@@H]3COCCN3)c2)CC1 ZINC000423842193 252088979 /nfs/dbraw/zinc/08/89/79/252088979.db2.gz KBNJKEYCISYGAQ-KRWDZBQOSA-N 2 0 332.448 1.144 20 0 EDADRP COC(=O)CCN1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@@H](C)C1 ZINC000423859239 252094174 /nfs/dbraw/zinc/09/41/74/252094174.db2.gz GWBUVBJNTSTWEP-HOCLYGCPSA-N 2 0 333.432 1.172 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)[NH+](CC)CC ZINC000424015288 252114815 /nfs/dbraw/zinc/11/48/15/252114815.db2.gz YRUBDTMOGQOMRR-BBWFWOEESA-N 2 0 325.497 1.852 20 0 EDADRP CC[C@]1(C(=O)N2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCC[NH2+]1 ZINC000423786881 252073880 /nfs/dbraw/zinc/07/38/80/252073880.db2.gz BRGSCWPGKOMMJV-IEBWSBKVSA-N 2 0 330.476 1.894 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000423790456 252076115 /nfs/dbraw/zinc/07/61/15/252076115.db2.gz UEZFQOMVDCFLKP-QGZVFWFLSA-N 2 0 332.448 1.183 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424144551 252141765 /nfs/dbraw/zinc/14/17/65/252141765.db2.gz LRVAONNQABLAFJ-CVEARBPZSA-N 2 0 347.507 1.595 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424160947 252148849 /nfs/dbraw/zinc/14/88/49/252148849.db2.gz BAQYTORUCPXEKV-KSSFIOAISA-N 2 0 331.464 1.103 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424171235 252153545 /nfs/dbraw/zinc/15/35/45/252153545.db2.gz JBQYOOKKEVKODM-OAHLLOKOSA-N 2 0 336.484 1.397 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220691 252167804 /nfs/dbraw/zinc/16/78/04/252167804.db2.gz FLHQKJCGKCXVOM-DLBZAZTESA-N 2 0 345.491 1.948 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424130323 252134395 /nfs/dbraw/zinc/13/43/95/252134395.db2.gz DZPTVBDJDQQAHM-GJZGRUSLSA-N 2 0 334.468 1.197 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)c1ccsc1 ZINC000424132448 252136288 /nfs/dbraw/zinc/13/62/88/252136288.db2.gz KPUYQMQVXGMWKL-HIFRSBDPSA-N 2 0 348.476 1.297 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424135270 252137823 /nfs/dbraw/zinc/13/78/23/252137823.db2.gz OTEJSAAZTANMNM-CVEARBPZSA-N 2 0 345.491 1.588 20 0 EDADRP CC(C)n1cncc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000424138681 252138863 /nfs/dbraw/zinc/13/88/63/252138863.db2.gz UKJYMTWNRWGLRC-UHFFFAOYSA-N 2 0 328.464 1.901 20 0 EDADRP Cc1ccc2nc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)cc(=O)n2c1 ZINC000424298147 252191169 /nfs/dbraw/zinc/19/11/69/252191169.db2.gz TZJIZYHXTOHYKU-HNNXBMFYSA-N 2 0 326.444 1.967 20 0 EDADRP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[NH+]3CCN(CCO)CC3)C[C@H]2C1 ZINC000424308666 252194541 /nfs/dbraw/zinc/19/45/41/252194541.db2.gz GVUZSPVGUOSYLG-QGFMHUBQSA-N 2 0 339.524 1.170 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000424467190 252240284 /nfs/dbraw/zinc/24/02/84/252240284.db2.gz MPWNMJHDKIYKEB-CJNGLKHVSA-N 2 0 332.448 1.191 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1 ZINC000424466177 252241347 /nfs/dbraw/zinc/24/13/47/252241347.db2.gz LAGXTZWZWZQHPZ-RHSMWYFYSA-N 2 0 344.459 1.477 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1 ZINC000424437034 252229967 /nfs/dbraw/zinc/22/99/67/252229967.db2.gz IHKJSKGDCYFTIQ-MRXNPFEDSA-N 2 0 334.464 1.485 20 0 EDADRP O=C(N[C@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482184 252249464 /nfs/dbraw/zinc/24/94/64/252249464.db2.gz SZJIDBRHOPJSPR-OKZBNKHCSA-N 2 0 328.460 1.654 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)CC1 ZINC000182476844 285009894 /nfs/dbraw/zinc/00/98/94/285009894.db2.gz UVCXAZYZZAIOPR-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000263227736 139329652 /nfs/dbraw/zinc/32/96/52/139329652.db2.gz GXCNGRLESGSXNU-SFHVURJKSA-N 2 0 348.491 1.243 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000263249471 139330869 /nfs/dbraw/zinc/33/08/69/139330869.db2.gz OEWCEOATRLKEMN-SFHVURJKSA-N 2 0 348.491 1.243 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000415668458 304252627 /nfs/dbraw/zinc/25/26/27/304252627.db2.gz GDSXVPBXZUVSCE-WMLDXEAASA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415671691 304253236 /nfs/dbraw/zinc/25/32/36/304253236.db2.gz JRXDXIYKKAUWCB-JCURWCKSSA-N 2 0 344.459 1.431 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CC2(O)CCCCCC2)CC1 ZINC000426213485 285188163 /nfs/dbraw/zinc/18/81/63/285188163.db2.gz CYIWXABTXRGUSU-UHFFFAOYSA-N 2 0 325.497 1.604 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000458382310 285204445 /nfs/dbraw/zinc/20/44/45/285204445.db2.gz RAYSWDJFVIMDMQ-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(Br)cnn2C)CC1 ZINC000486941887 255020686 /nfs/dbraw/zinc/02/06/86/255020686.db2.gz MUPIIXHFUBUKJK-LBPRGKRZSA-N 2 0 344.301 1.298 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000459043884 285245088 /nfs/dbraw/zinc/24/50/88/285245088.db2.gz JJQGLXXJKLRZFD-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](O)Cc1ccccc1 ZINC000355437152 285245923 /nfs/dbraw/zinc/24/59/23/285245923.db2.gz BNECNEYAROUKLM-MOPGFXCFSA-N 2 0 347.503 1.465 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N1CCC[C@H]1C ZINC000248698857 285251016 /nfs/dbraw/zinc/25/10/16/285251016.db2.gz KKXMIZJBYNTGLL-HZPDHXFCSA-N 2 0 346.541 1.063 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000492252022 255165322 /nfs/dbraw/zinc/16/53/22/255165322.db2.gz LKAMITHZBVYPGS-RPPGEJNMSA-N 2 0 331.460 1.103 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)/C=C/c3ncc[nH]3)cn2)CC1 ZINC000493117541 255192358 /nfs/dbraw/zinc/19/23/58/255192358.db2.gz CYTHQSPNQDBTAH-GQCTYLIASA-N 2 0 340.431 1.276 20 0 EDADRP CN1CCC(CNC(=O)CC[C@H]2CCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000494647751 255256431 /nfs/dbraw/zinc/25/64/31/255256431.db2.gz JAZUOSAGRCWPOJ-QGZVFWFLSA-N 2 0 336.524 1.585 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccnc(N(C)C)n1 ZINC000349039988 285282464 /nfs/dbraw/zinc/28/24/64/285282464.db2.gz ZWKMMDKWLAZNTC-KRWDZBQOSA-N 2 0 334.512 1.391 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000263943182 139371341 /nfs/dbraw/zinc/37/13/41/139371341.db2.gz BJGFZENVHYAXBG-UHFFFAOYSA-N 2 0 346.475 1.330 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)C1CC1 ZINC000118120455 221123218 /nfs/dbraw/zinc/12/32/18/221123218.db2.gz YNGPZMNNWMEXAZ-UHFFFAOYSA-N 2 0 346.475 1.330 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000118879799 221200260 /nfs/dbraw/zinc/20/02/60/221200260.db2.gz VHDGEDPWDWCHQX-INIZCTEOSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)ccc1C[NH+](C)C ZINC000415870211 304283217 /nfs/dbraw/zinc/28/32/17/304283217.db2.gz OMTJGFFNCQGMLK-HOTGVXAUSA-N 2 0 344.459 1.063 20 0 EDADRP COC(=O)COc1ccccc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000183564726 533574082 /nfs/dbraw/zinc/57/40/82/533574082.db2.gz YHMXYGZWTPTCRI-CVEARBPZSA-N 2 0 349.475 1.525 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381510 533605179 /nfs/dbraw/zinc/60/51/79/533605179.db2.gz IAGROUHFJLQPFY-IAGOWNOFSA-N 2 0 335.517 1.748 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000416244437 304300239 /nfs/dbraw/zinc/30/02/39/304300239.db2.gz VVKNUVPMBCEMEJ-ZWKOTPCHSA-N 2 0 333.476 1.642 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000271171101 140250439 /nfs/dbraw/zinc/25/04/39/140250439.db2.gz XLBRKBFAKBOVCY-QFBILLFUSA-N 2 0 347.503 1.936 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000271806901 140353652 /nfs/dbraw/zinc/35/36/52/140353652.db2.gz YJHQGSUDPVZBDA-HIFRSBDPSA-N 2 0 343.493 1.341 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3([NH+](C)C)CC3)cc2)CC1 ZINC000416304413 304307804 /nfs/dbraw/zinc/30/78/04/304307804.db2.gz UZRCBWGPQFYBTE-UHFFFAOYSA-N 2 0 330.476 1.653 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000331615192 141057478 /nfs/dbraw/zinc/05/74/78/141057478.db2.gz SJBUCSYUAYGGJX-CYGHRXIMSA-N 2 0 330.476 1.886 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000331665192 141064263 /nfs/dbraw/zinc/06/42/63/141064263.db2.gz XYFDTWCPIPAQEK-CYBMUJFWSA-N 2 0 333.432 1.666 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CC2)c1 ZINC000332551000 141201837 /nfs/dbraw/zinc/20/18/37/141201837.db2.gz PMDGFTFYNLUYKX-KBPBESRZSA-N 2 0 333.436 1.192 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333312109 141297310 /nfs/dbraw/zinc/29/73/10/141297310.db2.gz LUHOJKIHADYMKL-OIISXLGYSA-N 2 0 343.475 1.988 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)CC1 ZINC000333330762 141300593 /nfs/dbraw/zinc/30/05/93/141300593.db2.gz OFNXXGSZEGZHJP-CQSZACIVSA-N 2 0 331.464 1.751 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333653555 141351113 /nfs/dbraw/zinc/35/11/13/141351113.db2.gz ZKKYXBPQEJRFQH-UHFFFAOYSA-N 2 0 336.399 1.611 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CCC1 ZINC000333679784 141356046 /nfs/dbraw/zinc/35/60/46/141356046.db2.gz ZMIFRNJADSLUSP-HZPDHXFCSA-N 2 0 338.496 1.399 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000572303257 306585544 /nfs/dbraw/zinc/58/55/44/306585544.db2.gz BDDRMDCKWWBGFJ-HUUCEWRRSA-N 2 0 325.478 1.733 20 0 EDADRP CC[N@H+](CC(=O)NC1CC[NH+](Cc2ccccc2C)CC1)[C@@H](C)CO ZINC000339623603 142098741 /nfs/dbraw/zinc/09/87/41/142098741.db2.gz GHQPCCUBSFDKPU-KRWDZBQOSA-N 2 0 347.503 1.778 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000340118025 142271460 /nfs/dbraw/zinc/27/14/60/142271460.db2.gz WKAIRFPQJZEKDB-HKUYNNGSSA-N 2 0 344.503 1.832 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)s1 ZINC000340183568 142295219 /nfs/dbraw/zinc/29/52/19/142295219.db2.gz NFXQJAYRYHOBHO-UHFFFAOYSA-N 2 0 345.534 1.703 20 0 EDADRP CC(C)C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C(=O)NCC[NH+](C)C ZINC000340407769 142381006 /nfs/dbraw/zinc/38/10/06/142381006.db2.gz WPZOQRAAZBRKGW-OAGGEKHMSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000344946731 143029593 /nfs/dbraw/zinc/02/95/93/143029593.db2.gz FUNNEBXMIOWENE-NEWSRXKRSA-N 2 0 344.503 1.117 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)CCC[N@@H+]1C ZINC000345245949 143069153 /nfs/dbraw/zinc/06/91/53/143069153.db2.gz GAVFWQWLXATBHE-DOMZBBRYSA-N 2 0 347.463 1.451 20 0 EDADRP C[C@@H](CCNC(=O)NCC1(O)CC[NH+](C)CC1)[NH+]1CCCCC1 ZINC000345829427 143137612 /nfs/dbraw/zinc/13/76/12/143137612.db2.gz BYLRQOVFSAPBRB-HNNXBMFYSA-N 2 0 326.485 1.007 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000345916412 143146695 /nfs/dbraw/zinc/14/66/95/143146695.db2.gz IYYYPQOBDRTOCN-DLBZAZTESA-N 2 0 337.508 1.963 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@H+](C)C1 ZINC000346700962 143234361 /nfs/dbraw/zinc/23/43/61/143234361.db2.gz JBFNEWMVTSBBTC-JKSUJKDBSA-N 2 0 325.497 1.676 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccncc1 ZINC000346747102 143241000 /nfs/dbraw/zinc/24/10/00/143241000.db2.gz LMAFVLQPAVPXDM-UHFFFAOYSA-N 2 0 325.416 1.419 20 0 EDADRP CC(C)COCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000346749570 143241435 /nfs/dbraw/zinc/24/14/35/143241435.db2.gz URLUZVMMPFDZJY-UHFFFAOYSA-N 2 0 348.491 1.773 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000346960485 143266294 /nfs/dbraw/zinc/26/62/94/143266294.db2.gz HUIZSHWURBNNRQ-GJZGRUSLSA-N 2 0 325.497 1.865 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](C[C@@H](C)C[N@H+]2CC[C@H](C(=O)OC)[C@H]2C)[C@@H]1C ZINC000347005156 143270207 /nfs/dbraw/zinc/27/02/07/143270207.db2.gz BFISKCKFIVGJHU-QCODTGAPSA-N 2 0 340.464 1.389 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1OC ZINC000347110262 143283760 /nfs/dbraw/zinc/28/37/60/143283760.db2.gz PFARQHVVWNDNJE-MRXNPFEDSA-N 2 0 347.459 1.348 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)[C@@H](C)C1 ZINC000347418209 143318720 /nfs/dbraw/zinc/31/87/20/143318720.db2.gz JYJKGZLYHHWKPV-GOEBONIOSA-N 2 0 331.526 1.509 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@H+](C)CCN1C)C(C)C ZINC000347716156 143353364 /nfs/dbraw/zinc/35/33/64/143353364.db2.gz GRQRCDMGNZGQQT-MRXNPFEDSA-N 2 0 327.517 1.040 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000347983594 143387335 /nfs/dbraw/zinc/38/73/35/143387335.db2.gz BRSJBOVCRMQQBN-OWCLPIDISA-N 2 0 325.497 1.865 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+])Cc1ccccc1 ZINC000416842255 304350439 /nfs/dbraw/zinc/35/04/39/304350439.db2.gz MYZCQIFLTDSLPI-OKZBNKHCSA-N 2 0 332.492 1.976 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@H](C)C[NH3+])[NH+]2CCCC2)c1 ZINC000416855517 304352051 /nfs/dbraw/zinc/35/20/51/304352051.db2.gz QEOSGNVSDLRDQC-RHSMWYFYSA-N 2 0 334.464 1.726 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000352824560 149182494 /nfs/dbraw/zinc/18/24/94/149182494.db2.gz GUACGBOYYZRGGF-LMQGHGSNSA-N 2 0 343.515 1.942 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccc(OC)cn1 ZINC000352829364 149184117 /nfs/dbraw/zinc/18/41/17/149184117.db2.gz QNHYFUCOWHGCHT-QGZVFWFLSA-N 2 0 348.491 1.507 20 0 EDADRP CSC[C@@H](O)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000352887236 149204451 /nfs/dbraw/zinc/20/44/51/149204451.db2.gz RWGIPLCIAOZUEU-MOPGFXCFSA-N 2 0 349.544 1.602 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000416959978 304355248 /nfs/dbraw/zinc/35/52/48/304355248.db2.gz QIPTUZRSXUNUKO-IAGOWNOFSA-N 2 0 339.528 1.075 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000353325636 149365313 /nfs/dbraw/zinc/36/53/13/149365313.db2.gz CLTIYYHTENPPDX-INIZCTEOSA-N 2 0 325.497 1.914 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[N@H+](C)C1 ZINC000347957691 286105853 /nfs/dbraw/zinc/10/58/53/286105853.db2.gz KOXXQMQUPVJPBY-CVEARBPZSA-N 2 0 340.512 1.469 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000416964642 304356401 /nfs/dbraw/zinc/35/64/01/304356401.db2.gz WHVZLVRPKKURRL-JKSUJKDBSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416973502 304358759 /nfs/dbraw/zinc/35/87/59/304358759.db2.gz VDOURWAXIOOLRE-ZBFHGGJFSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000416980896 304360786 /nfs/dbraw/zinc/36/07/86/304360786.db2.gz ZFQJIFZGRVNFNC-HNNXBMFYSA-N 2 0 348.491 1.896 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000416981486 304360865 /nfs/dbraw/zinc/36/08/65/304360865.db2.gz LBYHCAKNGDRECI-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCN3Cc3ccccc3)[C@@H]2C1 ZINC000355352846 150228465 /nfs/dbraw/zinc/22/84/65/150228465.db2.gz WASKTDBUYPBKQH-QRVBRYPASA-N 2 0 343.471 1.583 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)c1cc(CN(C)C)on1)N(C)C ZINC000355700265 150365538 /nfs/dbraw/zinc/36/55/38/150365538.db2.gz BOWDBVRNCMZBFM-INIZCTEOSA-N 2 0 346.431 1.778 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C[NH3+])C1 ZINC000417060198 304367822 /nfs/dbraw/zinc/36/78/22/304367822.db2.gz DFBYKSQQILCOCI-IAGOWNOFSA-N 2 0 334.464 1.396 20 0 EDADRP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357537933 151060363 /nfs/dbraw/zinc/06/03/63/151060363.db2.gz CABPWAACHVALNS-INIZCTEOSA-N 2 0 337.489 1.605 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357638499 151095750 /nfs/dbraw/zinc/09/57/50/151095750.db2.gz SOVCKBSAGDTZTL-YESZJQIVSA-N 2 0 339.524 1.943 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@@H](C)CCC[C@H]2C)C1 ZINC000357716658 151123713 /nfs/dbraw/zinc/12/37/13/151123713.db2.gz OPUHQVHUCNZNRA-RCCFBDPRSA-N 2 0 339.524 1.970 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC[NH+](C)CC1 ZINC000357972687 151216581 /nfs/dbraw/zinc/21/65/81/151216581.db2.gz JZZGOFPQZVBUIL-UONOGXRCSA-N 2 0 328.526 1.596 20 0 EDADRP C[C@H](NC(=O)[C@H](C)N1CCN(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358081322 151263654 /nfs/dbraw/zinc/26/36/54/151263654.db2.gz UUOIVBGBXAWEEQ-YESZJQIVSA-N 2 0 336.524 1.392 20 0 EDADRP C[C@@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000358131514 151283164 /nfs/dbraw/zinc/28/31/64/151283164.db2.gz VIDTZTQALCJQFH-ZIAGYGMSSA-N 2 0 342.528 1.171 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358491433 151393234 /nfs/dbraw/zinc/39/32/34/151393234.db2.gz FFBPTNQUHVPBOK-BZUAXINKSA-N 2 0 340.512 1.467 20 0 EDADRP CSC1(CNC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC[NH+](C)CC1 ZINC000360695738 152156579 /nfs/dbraw/zinc/15/65/79/152156579.db2.gz PUDLKYHZDABBHS-GJZGRUSLSA-N 2 0 342.553 1.795 20 0 EDADRP CSC1(CNC(=O)N2CC[NH+](C3CCC3)CC2)CC[NH+](C)CC1 ZINC000360694987 152157056 /nfs/dbraw/zinc/15/70/56/152157056.db2.gz MZYCURIPUUZVQF-UHFFFAOYSA-N 2 0 340.537 1.694 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)[C@H](C)C1 ZINC000360876339 152238256 /nfs/dbraw/zinc/23/82/56/152238256.db2.gz ZSGUHNPOTXWRHJ-XDNAFOTISA-N 2 0 328.497 1.358 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000360939623 152258868 /nfs/dbraw/zinc/25/88/68/152258868.db2.gz BRZWORGGWVVUOJ-HKUYNNGSSA-N 3 0 331.508 1.524 20 0 EDADRP Cc1cn2c(n1)CN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)CC2 ZINC000363687882 153029481 /nfs/dbraw/zinc/02/94/81/153029481.db2.gz KOSZVCSDQCAJDE-UHFFFAOYSA-N 2 0 349.479 1.606 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H]([NH+]3CCCCC3)C2)C1(C)C ZINC000363748774 153045565 /nfs/dbraw/zinc/04/55/65/153045565.db2.gz VWZGQJPSKXITOK-MDZRGWNJSA-N 2 0 337.508 1.996 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@H](C)C[NH3+])[NH+]1CCCCC1 ZINC000417186301 304382327 /nfs/dbraw/zinc/38/23/27/304382327.db2.gz WPGFOUYGZCKRCQ-ZBFHGGJFSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)[NH+]2CCCC2)cc1 ZINC000364217103 153177543 /nfs/dbraw/zinc/17/75/43/153177543.db2.gz SYKPKBWHXRKZSX-CMKODMSKSA-N 2 0 343.471 1.948 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000367111108 154011944 /nfs/dbraw/zinc/01/19/44/154011944.db2.gz RWKSFRSHANLXON-SFHVURJKSA-N 2 0 345.487 1.933 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000367975728 154351365 /nfs/dbraw/zinc/35/13/65/154351365.db2.gz BVPZEENPNGJWPQ-DLBZAZTESA-N 2 0 325.497 1.626 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[NH+]2CCC[C@H]2C1 ZINC000369584129 155098516 /nfs/dbraw/zinc/09/85/16/155098516.db2.gz LZMRKRDBKNZVMM-IBGZPJMESA-N 2 0 342.487 1.924 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000371829451 156127619 /nfs/dbraw/zinc/12/76/19/156127619.db2.gz AXCBMEYYYPNWHL-GOSISDBHSA-N 2 0 347.507 1.925 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N2CC[C@H](c3ccco3)C2)CC1 ZINC000372264210 156294226 /nfs/dbraw/zinc/29/42/26/156294226.db2.gz IRFJGGYMGVYBDS-HNNXBMFYSA-N 2 0 334.464 1.805 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000372335045 156339760 /nfs/dbraw/zinc/33/97/60/156339760.db2.gz USGMPIDQIQIVLY-GOEBONIOSA-N 2 0 331.526 1.287 20 0 EDADRP COC(=O)c1cccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372368916 156355445 /nfs/dbraw/zinc/35/54/45/156355445.db2.gz LKEGNDLLLXHFTQ-GOSISDBHSA-N 2 0 345.487 1.933 20 0 EDADRP C[C@H]1CN(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C[NH2+]1 ZINC000417531871 304404065 /nfs/dbraw/zinc/40/40/65/304404065.db2.gz VDDHYMYGEZBMIQ-HOTGVXAUSA-N 2 0 348.491 1.561 20 0 EDADRP COc1ccc(C[C@H]2CCC[N@@H+]2CCC(=O)N2CCN(C)CC2)cc1 ZINC000374774315 157395970 /nfs/dbraw/zinc/39/59/70/157395970.db2.gz FXAIDCSHVWGITO-GOSISDBHSA-N 2 0 345.487 1.866 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)N[C@H]3CC[N@H+](C)[C@@H]3c3ccccc3)C[C@@H]21 ZINC000378066722 158069667 /nfs/dbraw/zinc/06/96/67/158069667.db2.gz AJUKCEJMYVHILX-WNRNVDISSA-N 2 0 344.459 1.156 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]C1 ZINC000378211188 158111244 /nfs/dbraw/zinc/11/12/44/158111244.db2.gz OTISIFUGCZFWCQ-WMZOPIPTSA-N 2 0 337.439 1.561 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417910699 304430059 /nfs/dbraw/zinc/43/00/59/304430059.db2.gz LQRIFSJPQJPARO-LLLHUVSDSA-N 2 0 338.496 1.181 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417917463 304431001 /nfs/dbraw/zinc/43/10/01/304431001.db2.gz WGUKGLGYRAQXEX-HZPDHXFCSA-N 2 0 340.512 1.571 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000417950742 304436428 /nfs/dbraw/zinc/43/64/28/304436428.db2.gz MGJVCZFISHPEKX-HOCLYGCPSA-N 2 0 349.479 1.291 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000352332889 162122642 /nfs/dbraw/zinc/12/26/42/162122642.db2.gz JPBJHRFNRWJOSC-UHFFFAOYSA-N 2 0 333.542 1.902 20 0 EDADRP [NH3+]CC[C@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000352488337 162208550 /nfs/dbraw/zinc/20/85/50/162208550.db2.gz OXUMGHAYXQSQKG-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccncc2OCCC[NH+](C)C)CC[NH2+]1 ZINC000418190425 304463021 /nfs/dbraw/zinc/46/30/21/304463021.db2.gz JBZAGZJISHFDFX-GDBMZVCRSA-N 2 0 349.479 1.352 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC[NH+]3CCCC3)CC2)c1 ZINC000072826371 287257390 /nfs/dbraw/zinc/25/73/90/287257390.db2.gz WOVFQWPWLFUINU-UHFFFAOYSA-N 2 0 344.503 1.719 20 0 EDADRP CN(C)c1cccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000077802596 287290277 /nfs/dbraw/zinc/29/02/77/287290277.db2.gz IABKAPDYEXKJFK-UHFFFAOYSA-N 2 0 335.496 1.387 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000166931016 226175178 /nfs/dbraw/zinc/17/51/78/226175178.db2.gz RKCKGTJLMSEXQO-QGZVFWFLSA-N 2 0 331.460 1.829 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC1 ZINC000418360556 304485569 /nfs/dbraw/zinc/48/55/69/304485569.db2.gz GCSPHLFXTDJZGL-MRXNPFEDSA-N 2 0 326.485 1.433 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418431413 304495024 /nfs/dbraw/zinc/49/50/24/304495024.db2.gz XDMACMLUNBYUNO-UHFFFAOYSA-N 2 0 328.501 1.646 20 0 EDADRP C[C@@]1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[NH2+]C1 ZINC000237574103 273010904 /nfs/dbraw/zinc/01/09/04/273010904.db2.gz BIDACSHDEDIFKL-MRXNPFEDSA-N 2 0 325.522 1.854 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000237758133 273012667 /nfs/dbraw/zinc/01/26/67/273012667.db2.gz ZLOOAXUTZMJOFZ-GOSISDBHSA-N 2 0 349.450 1.675 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+][C@H](C)CCN3CC[NH+](C)CC3)cc12 ZINC000185881384 267699484 /nfs/dbraw/zinc/69/94/84/267699484.db2.gz PIRBMMCFBARTBH-CQSZACIVSA-N 2 0 330.480 1.392 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2C[NH2+]CCO2)[NH+]2CCCCC2)cc1 ZINC000237326795 267928910 /nfs/dbraw/zinc/92/89/10/267928910.db2.gz QSGDIOVFZDUAGY-ROUUACIJSA-N 2 0 347.459 1.327 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)CC1 ZINC000273004860 273024685 /nfs/dbraw/zinc/02/46/85/273024685.db2.gz PZUOTFXQJNUEBS-GOSISDBHSA-N 2 0 346.475 1.100 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275638185 268367156 /nfs/dbraw/zinc/36/71/56/268367156.db2.gz ODYXMRXCPVPDHQ-UHFFFAOYSA-N 2 0 348.491 1.577 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274350467 273087163 /nfs/dbraw/zinc/08/71/63/273087163.db2.gz KKCVJXURINHIOQ-HKUYNNGSSA-N 2 0 331.504 1.943 20 0 EDADRP CC[C@@]1(C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000274560509 273096994 /nfs/dbraw/zinc/09/69/94/273096994.db2.gz FWKUPWKGNQXEIO-FQEVSTJZSA-N 2 0 344.503 1.453 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc(F)c1 ZINC000655909595 452666941 /nfs/dbraw/zinc/66/69/41/452666941.db2.gz BKEHCGXXGCONLZ-VXGBXAGGSA-N 2 0 336.333 1.617 20 0 EDADRP C[C@@H]1COCCN1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000278045452 273243257 /nfs/dbraw/zinc/24/32/57/273243257.db2.gz SXUINZBXHHEVKZ-MRXNPFEDSA-N 2 0 347.463 1.024 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000283894847 274001451 /nfs/dbraw/zinc/00/14/51/274001451.db2.gz KEWJNHBAQVPHFV-MRXNPFEDSA-N 2 0 343.431 1.007 20 0 EDADRP COC[C@](C)(CC(=O)OC)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000350322994 274052457 /nfs/dbraw/zinc/05/24/57/274052457.db2.gz VCQQDMHBHLMMMS-KRWDZBQOSA-N 2 0 332.404 1.634 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000353547029 276253674 /nfs/dbraw/zinc/25/36/74/276253674.db2.gz XVXPPGZDHGOFRH-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414897672 276331822 /nfs/dbraw/zinc/33/18/22/276331822.db2.gz CCWIXXOXNIMFTQ-AWEZNQCLSA-N 2 0 344.459 1.419 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415113306 277573657 /nfs/dbraw/zinc/57/36/57/277573657.db2.gz DYFPPIODYUWFDD-AWEZNQCLSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[N@H+](C)Cc1ccccc1 ZINC000262144307 278196852 /nfs/dbraw/zinc/19/68/52/278196852.db2.gz YDSZBBZTFZMEOO-WMZOPIPTSA-N 2 0 330.476 1.013 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CNS(C)(=O)=O)CC1 ZINC000337528707 278341952 /nfs/dbraw/zinc/34/19/52/278341952.db2.gz CNTFIOWWWBYDEL-ZFWWWQNUSA-N 2 0 331.526 1.557 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000364200265 278435698 /nfs/dbraw/zinc/43/56/98/278435698.db2.gz HVXFGPDIASYDBJ-MDZRGWNJSA-N 2 0 337.508 1.901 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000339936120 279130029 /nfs/dbraw/zinc/13/00/29/279130029.db2.gz LONHRBRIDMQOQR-HOTGVXAUSA-N 2 0 328.501 1.373 20 0 EDADRP CCN(CCO)CC[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000346242689 279209122 /nfs/dbraw/zinc/20/91/22/279209122.db2.gz SYAMGEDLEHQIQF-UHFFFAOYSA-N 2 0 334.508 1.232 20 0 EDADRP CNS(=O)(=O)c1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000659983426 452890490 /nfs/dbraw/zinc/89/04/90/452890490.db2.gz MAIYFRIMVGFKAI-ZFWWWQNUSA-N 2 0 325.478 1.509 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000289866369 288793273 /nfs/dbraw/zinc/79/32/73/288793273.db2.gz LIULYTXKURQRLA-KBPBESRZSA-N 2 0 337.420 1.122 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]2([NH+](C)C)CCCSC2)CCOCC1 ZINC000362177622 289057762 /nfs/dbraw/zinc/05/77/62/289057762.db2.gz JGAMFEAWJOTMTJ-INIZCTEOSA-N 2 0 329.510 1.041 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000292036142 289244995 /nfs/dbraw/zinc/24/49/95/289244995.db2.gz DUBSFLJTEXBKBN-CVEARBPZSA-N 2 0 332.492 1.675 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)NC(=O)NCc3ccccc3)C2)C1 ZINC000292037683 289245421 /nfs/dbraw/zinc/24/54/21/289245421.db2.gz ADWRBCPOBLANCB-LJQANCHMSA-N 2 0 344.459 1.430 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)C[N@@H+]1C1CC1 ZINC000339550136 297275424 /nfs/dbraw/zinc/27/54/24/297275424.db2.gz ZOOVXCVQXOGVJJ-DJIMGWMZSA-N 2 0 334.508 1.985 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H]2CCC[C@H]2C[NH3+])CCCCCC1 ZINC000418895426 304545906 /nfs/dbraw/zinc/54/59/06/304545906.db2.gz CYRRJKMBNXGOOX-GJZGRUSLSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]([NH2+]C1(CNC(=O)C(=O)NCCC[NH3+])CCCC1)c1ccccc1 ZINC000418870414 304542057 /nfs/dbraw/zinc/54/20/57/304542057.db2.gz UBLUBILBKDVGMM-HNNXBMFYSA-N 2 0 346.475 1.231 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C(C)(C)C ZINC000419128793 304567969 /nfs/dbraw/zinc/56/79/69/304567969.db2.gz BYDKHOHMJQGVGY-CVEARBPZSA-N 2 0 348.491 1.285 20 0 EDADRP C[C@H](NC(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000419535867 304632646 /nfs/dbraw/zinc/63/26/46/304632646.db2.gz AFGXCZICGXBTLJ-ZFWWWQNUSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@@H]1[NH3+] ZINC000333941983 300142130 /nfs/dbraw/zinc/14/21/30/300142130.db2.gz POWKSLCAGVVKNR-GJZGRUSLSA-N 2 0 340.537 1.727 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000419983165 304720315 /nfs/dbraw/zinc/72/03/15/304720315.db2.gz BUJHJIKDPXGMIT-CVEARBPZSA-N 2 0 340.512 1.056 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000419642832 447314867 /nfs/dbraw/zinc/31/48/67/447314867.db2.gz GDRNCFYYZNGCRZ-HOCLYGCPSA-N 2 0 348.491 1.332 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]([NH3+])C1CC1)c1ccccc1 ZINC000419653468 447322426 /nfs/dbraw/zinc/32/24/26/447322426.db2.gz QVIFCUFSYLEUGW-BBRMVZONSA-N 2 0 346.475 1.086 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]([NH3+])C1CC1)c1ccccc1 ZINC000419653472 447322899 /nfs/dbraw/zinc/32/28/99/447322899.db2.gz QVIFCUFSYLEUGW-XJKSGUPXSA-N 2 0 346.475 1.086 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000414765863 447324029 /nfs/dbraw/zinc/32/40/29/447324029.db2.gz CUDUHJISXUWUKL-MOPGFXCFSA-N 3 0 341.459 1.904 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000296349993 303312377 /nfs/dbraw/zinc/31/23/77/303312377.db2.gz IYUSYXPCTVIMOA-QGZVFWFLSA-N 2 0 346.519 1.828 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@@H]([NH+]3CC=CC3)C2)C2CC3CC(C2)CC1C3 ZINC000333605555 303358260 /nfs/dbraw/zinc/35/82/60/303358260.db2.gz XDFSYWMWTZBSKE-ORPJZTTNSA-N 2 0 344.503 1.796 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000414856599 447330903 /nfs/dbraw/zinc/33/09/03/447330903.db2.gz OMLJMZKDSXHHEK-YOEHRIQHSA-N 2 0 344.459 1.732 20 0 EDADRP CCNC(=O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000299700468 303651568 /nfs/dbraw/zinc/65/15/68/303651568.db2.gz OYLWXZHWZHTMOE-CQSZACIVSA-N 2 0 336.455 1.754 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333948984 303808820 /nfs/dbraw/zinc/80/88/20/303808820.db2.gz WVNZMWLWRSTCHB-AWEZNQCLSA-N 2 0 326.510 1.257 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414882937 447342306 /nfs/dbraw/zinc/34/23/06/447342306.db2.gz SOXVCVRVNRNMPQ-CZUORRHYSA-N 2 0 332.448 1.635 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C(C)(C)C ZINC000458399913 447346144 /nfs/dbraw/zinc/34/61/44/447346144.db2.gz GIKGQEKVPXWVJK-HZPDHXFCSA-N 2 0 342.528 1.499 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]3)CC2)cc1F ZINC000422602202 304873847 /nfs/dbraw/zinc/87/38/47/304873847.db2.gz FHDLQLFGYZWIFW-UHFFFAOYSA-N 2 0 334.439 1.925 20 0 EDADRP O=S(=O)(NCCC[NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1Cl ZINC000423109796 304886699 /nfs/dbraw/zinc/88/66/99/304886699.db2.gz UYIPJQSAURJYSQ-ZDUSSCGKSA-N 2 0 345.896 1.740 20 0 EDADRP C[C@@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)[C@H]1CC[NH2+]C1 ZINC000423112499 304886796 /nfs/dbraw/zinc/88/67/96/304886796.db2.gz XJXLFBGAIXHKET-OLZOCXBDSA-N 2 0 345.896 1.596 20 0 EDADRP COc1ccc(CN2CC[C@@H]([NH2+][C@H](C)CCC[NH3+])C2=O)c(OC)c1 ZINC000423112180 304886915 /nfs/dbraw/zinc/88/69/15/304886915.db2.gz RNVIRXSOZAAEHM-CZUORRHYSA-N 2 0 335.448 1.522 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1CCN(S(=O)(=O)c2cccs2)C1 ZINC000423113428 304886953 /nfs/dbraw/zinc/88/69/53/304886953.db2.gz YWLHLYWJQCYKLM-XQQFMLRXSA-N 2 0 331.507 1.474 20 0 EDADRP COc1ccc(OC)c(NC(=O)C[C@@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423332590 304892815 /nfs/dbraw/zinc/89/28/15/304892815.db2.gz DPWCHVHLAUGYKV-CYBMUJFWSA-N 2 0 333.432 1.930 20 0 EDADRP CCOc1ccc([C@H](C)NC(=O)C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000430629782 305060168 /nfs/dbraw/zinc/06/01/68/305060168.db2.gz QMXKEQCMMBYQLN-AWEZNQCLSA-N 2 0 349.475 1.942 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCc2cnn(-c3ccccc3)c2)CC1 ZINC000430643507 305061066 /nfs/dbraw/zinc/06/10/66/305061066.db2.gz MABIOGNFEPHKFD-UHFFFAOYSA-N 2 0 327.432 1.159 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430680323 305062301 /nfs/dbraw/zinc/06/23/01/305062301.db2.gz ONUNEFSRLUPRFU-UYAOXDASSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)COC2C[NH2+]C2)cc1 ZINC000430753560 305064127 /nfs/dbraw/zinc/06/41/27/305064127.db2.gz IYVPLCWDXDKXPT-HNNXBMFYSA-N 2 0 331.460 1.666 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000430773072 305064711 /nfs/dbraw/zinc/06/47/11/305064711.db2.gz PYAUOYFXZVRCFH-BBWFWOEESA-N 2 0 325.497 1.772 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC[NH2+]C1 ZINC000430827935 305065447 /nfs/dbraw/zinc/06/54/47/305065447.db2.gz QCNVQBBFMKGFJM-MJGOQNOKSA-N 2 0 333.476 1.292 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)NCCOc2cccc(C)c2)CC1 ZINC000430924135 305068524 /nfs/dbraw/zinc/06/85/24/305068524.db2.gz HMYVHCLAWKRCTH-MRXNPFEDSA-N 2 0 333.476 1.810 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000430935568 305069192 /nfs/dbraw/zinc/06/91/92/305069192.db2.gz QSOLHAJTNCXUAC-PBHICJAKSA-N 2 0 331.460 1.946 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCc2ccc(OC)c(OC)c2)CC1 ZINC000430945084 305069848 /nfs/dbraw/zinc/06/98/48/305069848.db2.gz PCPMGUUMZNEYFW-UHFFFAOYSA-N 2 0 349.475 1.294 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430949203 305070114 /nfs/dbraw/zinc/07/01/14/305070114.db2.gz MYXXAMRLDYOAPD-HZPDHXFCSA-N 2 0 333.476 1.938 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C(C)(C)C[NH3+] ZINC000430999243 305072450 /nfs/dbraw/zinc/07/24/50/305072450.db2.gz JDNJBGMCQHIZHK-UHFFFAOYSA-N 2 0 334.464 1.761 20 0 EDADRP COCC[NH+]1CCC(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000431723948 305082132 /nfs/dbraw/zinc/08/21/32/305082132.db2.gz QWWRDVWFBMBQLI-SFHVURJKSA-N 2 0 333.476 1.906 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCCC2CC[NH+](C)CC2)cc1 ZINC000433058212 305099408 /nfs/dbraw/zinc/09/94/08/305099408.db2.gz PHQJJTNCGHFJNT-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CC3CCC2CC3)C1 ZINC000433072628 305099660 /nfs/dbraw/zinc/09/96/60/305099660.db2.gz PAWOCKAUDMCPQC-OPQOLIRYSA-N 2 0 337.508 1.628 20 0 EDADRP NC(=O)CCOc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433115685 305100778 /nfs/dbraw/zinc/10/07/78/305100778.db2.gz KFGOSOMLTCXTCC-UHFFFAOYSA-N 2 0 348.447 1.083 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1cccs1 ZINC000433121197 305100964 /nfs/dbraw/zinc/10/09/64/305100964.db2.gz QTZDNGQJLZLWPH-HNNXBMFYSA-N 3 0 338.521 1.670 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000433130245 305101187 /nfs/dbraw/zinc/10/11/87/305101187.db2.gz RAWXGSOJPIMPIY-SFHVURJKSA-N 2 0 344.503 1.975 20 0 EDADRP CCNC(=O)c1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433140000 305101622 /nfs/dbraw/zinc/10/16/22/305101622.db2.gz DLUUDGAGHQHBIX-UHFFFAOYSA-N 2 0 346.475 1.256 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433360823 305106615 /nfs/dbraw/zinc/10/66/15/305106615.db2.gz LGOWOBLAEHFVBO-QGZVFWFLSA-N 2 0 346.519 1.752 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCCC[NH+]2CC(C)C)C1 ZINC000438854429 305190154 /nfs/dbraw/zinc/19/01/54/305190154.db2.gz WITPOCXLXBMWGX-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440956980 305214714 /nfs/dbraw/zinc/21/47/14/305214714.db2.gz LQFKCBWVXYHLRN-SJLPKXTDSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@@H](C)C[C@H](C)C2)C1 ZINC000443639780 305240396 /nfs/dbraw/zinc/24/03/96/305240396.db2.gz LOVCLITXJREDGM-FGTMMUONSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCCC1 ZINC000446594991 305267597 /nfs/dbraw/zinc/26/75/97/305267597.db2.gz UCWCRNRTEUNROR-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000446621065 305268218 /nfs/dbraw/zinc/26/82/18/305268218.db2.gz AMCYNNSVXNDCAB-UHFFFAOYSA-N 2 0 326.485 1.005 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)[N@@H+]1CCc2ccccc2C1 ZINC000447434546 305280293 /nfs/dbraw/zinc/28/02/93/305280293.db2.gz HLJNFAHSZLHXFR-MSOLQXFVSA-N 2 0 333.476 1.549 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447928627 305289366 /nfs/dbraw/zinc/28/93/66/305289366.db2.gz HZLHLDDJXUUDKQ-QGZVFWFLSA-N 2 0 327.476 1.988 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449174361 305308892 /nfs/dbraw/zinc/30/88/92/305308892.db2.gz PEWRAIGSKVPZIV-ZLPCBKJTSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000449725585 305318086 /nfs/dbraw/zinc/31/80/86/305318086.db2.gz OBASFRZMVICVCM-WMZOPIPTSA-N 2 0 330.476 1.291 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3C[C@H](O)CC[C@@H]3C2)CC1 ZINC000451721793 305364592 /nfs/dbraw/zinc/36/45/92/305364592.db2.gz ZBROJWCACWPRAF-JFIYKMOQSA-N 2 0 337.508 1.458 20 0 EDADRP CC[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000451966610 305374845 /nfs/dbraw/zinc/37/48/45/305374845.db2.gz MNZRPTOETNKOIH-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@]2(CCSC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000451970133 305375110 /nfs/dbraw/zinc/37/51/10/305375110.db2.gz XURLAUONEZGIKU-GOSISDBHSA-N 2 0 337.533 1.949 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000493962556 305630548 /nfs/dbraw/zinc/63/05/48/305630548.db2.gz VHXIBYKDNFLXTJ-ZIAGYGMSSA-N 2 0 346.475 1.348 20 0 EDADRP C[C@H](OCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000515800521 305727991 /nfs/dbraw/zinc/72/79/91/305727991.db2.gz LIZJLYIOAFKVTN-PKOBYXMFSA-N 2 0 335.492 1.352 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000414918493 447356547 /nfs/dbraw/zinc/35/65/47/447356547.db2.gz UOYUVXLPJKDYLQ-OAHLLOKOSA-N 2 0 337.489 1.347 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000517223254 305749768 /nfs/dbraw/zinc/74/97/68/305749768.db2.gz UKMAYXSXJFGJNM-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(OCC2CC2)c1 ZINC000518169567 305759428 /nfs/dbraw/zinc/75/94/28/305759428.db2.gz YEPFVIXLTRKTSM-IBGZPJMESA-N 2 0 347.503 1.482 20 0 EDADRP CC[C@@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)[N@H+](C)Cc1ccccc1 ZINC000556850958 306220140 /nfs/dbraw/zinc/22/01/40/306220140.db2.gz XFXWJPFQXXMSNM-ICSRJNTNSA-N 2 0 345.487 1.470 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N(C)[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000556990226 306222621 /nfs/dbraw/zinc/22/26/21/306222621.db2.gz LJCKHQXIXSYJPQ-QGZVFWFLSA-N 2 0 331.464 1.654 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@@H]2C[NH2+]CCO2)CCC[N@@H+]1Cc1ccccc1 ZINC000557204740 306226342 /nfs/dbraw/zinc/22/63/42/306226342.db2.gz HMRFRNSKNMXNRE-HKUYNNGSSA-N 2 0 346.475 1.329 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000414946596 447368481 /nfs/dbraw/zinc/36/84/81/447368481.db2.gz UEJVWRCKNWSDMX-GOEBONIOSA-N 2 0 346.475 1.676 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C)CC[C@@H]1C)CCC(F)(F)F ZINC000426000627 447376463 /nfs/dbraw/zinc/37/64/63/447376463.db2.gz HWJAWZSMWCYWNI-ZDUSSCGKSA-N 2 0 338.418 1.996 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000419731759 447379781 /nfs/dbraw/zinc/37/97/81/447379781.db2.gz RKSXKTHNXUTNOI-HNNXBMFYSA-N 2 0 346.475 1.054 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000665552365 453743892 /nfs/dbraw/zinc/74/38/92/453743892.db2.gz ATZHYMMHXZFJAR-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000493836749 447407013 /nfs/dbraw/zinc/40/70/13/447407013.db2.gz NFPZIVBSEZBFDY-QKIRZYONSA-N 2 0 345.491 1.829 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)NC[C@H](C)COC)CC2)CC1 ZINC000422225802 447410503 /nfs/dbraw/zinc/41/05/03/447410503.db2.gz HMYOGIGVEPFXMM-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@H](C[NH3+])C2CCCC2)CCCCC1 ZINC000419808999 447426694 /nfs/dbraw/zinc/42/66/94/447426694.db2.gz HABHTYKPSGZJLD-OAHLLOKOSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000494452086 447437863 /nfs/dbraw/zinc/43/78/63/447437863.db2.gz JEESPYXIVXOHHG-HUUCEWRRSA-N 2 0 341.496 1.678 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1ccc(-n2cccn2)cc1 ZINC000103212303 441177682 /nfs/dbraw/zinc/17/76/82/441177682.db2.gz YZIVRDSZFJXKSF-UHFFFAOYSA-N 2 0 343.475 1.367 20 0 EDADRP CC(C)[NH+](CCNC(=O)NCCCC[NH+]1CCOCC1)C(C)C ZINC000060955669 441262447 /nfs/dbraw/zinc/26/24/47/441262447.db2.gz GTMSRQVNOSAKCL-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000073074749 441290805 /nfs/dbraw/zinc/29/08/05/441290805.db2.gz XSQRDXJZKTZKBB-KRWDZBQOSA-N 2 0 342.487 1.552 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCC[NH2+]1 ZINC000073342185 441310792 /nfs/dbraw/zinc/31/07/92/441310792.db2.gz QGKZSGCDXWLJIV-HNNXBMFYSA-N 2 0 329.448 2.069 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)C2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000076310074 441627736 /nfs/dbraw/zinc/62/77/36/441627736.db2.gz IZTYWHCITDUUKZ-MRXNPFEDSA-N 2 0 329.488 1.934 20 0 EDADRP O=C(CN1CC[C@@H](O)C1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000114485668 441663644 /nfs/dbraw/zinc/66/36/44/441663644.db2.gz SZKMGYDAIVLWPE-MRXNPFEDSA-N 2 0 335.473 1.241 20 0 EDADRP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)C[NH+]1CCCC1 ZINC000136517036 441702322 /nfs/dbraw/zinc/70/23/22/441702322.db2.gz CJVWBDBGWOJTTO-HNNXBMFYSA-N 2 0 334.464 1.484 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)Nc1cnn(CC[NH+]2CCCCC2)c1 ZINC000158191588 441702967 /nfs/dbraw/zinc/70/29/67/441702967.db2.gz YGXHGYZWXQXFKH-AWEZNQCLSA-N 2 0 325.482 1.388 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000158697534 441756611 /nfs/dbraw/zinc/75/66/11/441756611.db2.gz WAHGIVUQDLZMRN-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000158751400 441759899 /nfs/dbraw/zinc/75/98/99/441759899.db2.gz GKOSFVUXJTYBHD-WMZOPIPTSA-N 2 0 349.475 1.954 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000139127464 441806422 /nfs/dbraw/zinc/80/64/22/441806422.db2.gz DWFRGXSKYZFCCL-HNNXBMFYSA-N 2 0 329.448 1.353 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NCC2(O)CC[NH+](C)CC2)CC1 ZINC000077804203 441863097 /nfs/dbraw/zinc/86/30/97/441863097.db2.gz MHTPNOXTDQWWKW-UHFFFAOYSA-N 2 0 326.485 1.007 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000121996948 441825888 /nfs/dbraw/zinc/82/58/88/441825888.db2.gz LKTMUMHYBUPWMW-UHFFFAOYSA-N 2 0 348.491 1.312 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccc(C)n1 ZINC000174149213 441893459 /nfs/dbraw/zinc/89/34/59/441893459.db2.gz YPRWJXCFMONFSX-SFHVURJKSA-N 2 0 347.507 1.948 20 0 EDADRP OC[C@@H]1CCCN1c1cc(N2CCC[C@H]([NH+]3CCCC3)CC2)ncn1 ZINC000150895718 441970529 /nfs/dbraw/zinc/97/05/29/441970529.db2.gz DERSABGRBZTXQV-IRXDYDNUSA-N 2 0 345.491 1.892 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000174823208 441973430 /nfs/dbraw/zinc/97/34/30/441973430.db2.gz ZDAIJXQGIFAKRY-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000174840489 441974890 /nfs/dbraw/zinc/97/48/90/441974890.db2.gz BCFBVPRGXQDMMW-IAGOWNOFSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000119663377 441945472 /nfs/dbraw/zinc/94/54/72/441945472.db2.gz CKBAHLQPNIIGED-SJORKVTESA-N 2 0 340.512 1.394 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH+]3CCCC3)C2)CC1 ZINC000150812847 441956275 /nfs/dbraw/zinc/95/62/75/441956275.db2.gz FHYGMVCOIBUCDQ-QGZVFWFLSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H](C(=O)N(C)Cc1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721000 441959153 /nfs/dbraw/zinc/95/91/53/441959153.db2.gz ZIZSYPHQKXPTBT-SFHVURJKSA-N 2 0 346.519 1.603 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[NH+](C)C ZINC000151247701 442031733 /nfs/dbraw/zinc/03/17/33/442031733.db2.gz QGQSYUQUEIVMRZ-QGZVFWFLSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)N1CCSCC1 ZINC000151508142 442074878 /nfs/dbraw/zinc/07/48/78/442074878.db2.gz WDFSQYDPNJCQND-OAHLLOKOSA-N 2 0 348.516 1.600 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000175772050 442119355 /nfs/dbraw/zinc/11/93/55/442119355.db2.gz PLZXNQPWNIBUSL-KRWDZBQOSA-N 2 0 341.544 1.099 20 0 EDADRP CC[N@H+](CC(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)C1CC1 ZINC000151905684 442138246 /nfs/dbraw/zinc/13/82/46/442138246.db2.gz HUUGKYJNDLRZAG-IRXDYDNUSA-N 2 0 336.524 1.488 20 0 EDADRP COc1cc(/C=C/C(=O)N2CCN(C)C[C@H]2C[NH3+])ccc1OC(C)C ZINC000162575952 442105221 /nfs/dbraw/zinc/10/52/21/442105221.db2.gz NAZUUUGCCVSKQO-IQIBNGDESA-N 2 0 347.459 1.597 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000121159729 442184716 /nfs/dbraw/zinc/18/47/16/442184716.db2.gz IBHHMRJLLXQRQL-LSDHHAIUSA-N 2 0 339.505 1.929 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000175950028 442152601 /nfs/dbraw/zinc/15/26/01/442152601.db2.gz ZRMNTIGKKGRWCR-QGZVFWFLSA-N 2 0 336.455 1.993 20 0 EDADRP Cn1ccnc1[C@H](NCc1ccc(N2CC[NH+](C)CC2)nc1)C1CC1 ZINC000127558114 442211263 /nfs/dbraw/zinc/21/12/63/442211263.db2.gz IVRAPBSCAVBITD-GOSISDBHSA-N 2 0 340.475 1.808 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165946674 442212147 /nfs/dbraw/zinc/21/21/47/442212147.db2.gz SQOZZLMMHVMFGR-JQHSSLGASA-N 2 0 331.460 1.659 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C(C)(C)C[NH3+])CC1)Cc1ccccc1 ZINC000167701095 442222468 /nfs/dbraw/zinc/22/24/68/442222468.db2.gz ROEWVEIXJAXTKX-UHFFFAOYSA-N 2 0 332.492 1.248 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000128095695 442244803 /nfs/dbraw/zinc/24/48/03/442244803.db2.gz RZCUNVHWGKGNCK-QGZVFWFLSA-N 2 0 344.503 1.832 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn2cccnc2n1 ZINC000130337291 442344028 /nfs/dbraw/zinc/34/40/28/442344028.db2.gz ATBXOODARALPNJ-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP COC(=O)C1CC[NH+](C/C=C/C[NH+]2CCC(C(=O)OC)CC2)CC1 ZINC000132719282 442399038 /nfs/dbraw/zinc/39/90/38/442399038.db2.gz XLIDXIOLDYEJBS-ONEGZZNKSA-N 2 0 338.448 1.313 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000178874704 442509861 /nfs/dbraw/zinc/50/98/61/442509861.db2.gz FFRUSPSVAKYUMH-SFHVURJKSA-N 2 0 330.476 1.457 20 0 EDADRP COc1cc(OC)cc(C(=O)N2CC[NH+](CC3CC[NH2+]CC3)CC2)c1 ZINC000178957252 442538729 /nfs/dbraw/zinc/53/87/29/442538729.db2.gz MEVSMRPIXKAKEY-UHFFFAOYSA-N 2 0 347.459 1.461 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000178999309 442548899 /nfs/dbraw/zinc/54/88/99/442548899.db2.gz XSQKSTJUGXINFE-KRWDZBQOSA-N 2 0 330.476 1.116 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000178934254 442530514 /nfs/dbraw/zinc/53/05/14/442530514.db2.gz TWVHRHSIWFWSGF-RHSMWYFYSA-N 2 0 338.452 1.028 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000173208369 442625024 /nfs/dbraw/zinc/62/50/24/442625024.db2.gz CUMAPWDUNPUWON-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000173213559 442625998 /nfs/dbraw/zinc/62/59/98/442625998.db2.gz LGMBXOWYWDKSBZ-KRWDZBQOSA-N 2 0 342.443 1.159 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000157922979 442628439 /nfs/dbraw/zinc/62/84/39/442628439.db2.gz ZAETUIPBPYEYFO-BBRMVZONSA-N 2 0 336.505 1.804 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000157993764 442635015 /nfs/dbraw/zinc/63/50/15/442635015.db2.gz INVNAFAVHMYBKX-SJLPKXTDSA-N 2 0 330.476 1.442 20 0 EDADRP CC(C)OCCN1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000192751050 442683476 /nfs/dbraw/zinc/68/34/76/442683476.db2.gz XZHXOUNEONPMMU-UHFFFAOYSA-N 2 0 340.556 1.445 20 0 EDADRP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3CN(S(C)(=O)=O)C3)CC2)C1 ZINC000187840017 442694300 /nfs/dbraw/zinc/69/43/00/442694300.db2.gz ZTGATISOFODOEE-RHSMWYFYSA-N 2 0 343.537 1.511 20 0 EDADRP CS(=O)(=O)N1CC(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)C1 ZINC000187836568 442694537 /nfs/dbraw/zinc/69/45/37/442694537.db2.gz CDEHCBXKISBQBI-UHFFFAOYSA-N 2 0 329.510 1.265 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000187973876 442701206 /nfs/dbraw/zinc/70/12/06/442701206.db2.gz AZIAWYXMOUKWBR-BPQIPLTHSA-N 2 0 331.460 1.486 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000188056426 442706018 /nfs/dbraw/zinc/70/60/18/442706018.db2.gz SXZBAXGVBKPRGB-LPHOPBHVSA-N 2 0 333.476 1.897 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192539638 442660724 /nfs/dbraw/zinc/66/07/24/442660724.db2.gz MUAOMMQLAMIRSO-LJQANCHMSA-N 2 0 333.476 1.866 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NCC[N@@H+]1CCCOCC1)C(C)C ZINC000187245116 442663186 /nfs/dbraw/zinc/66/31/86/442663186.db2.gz RPNZXYFLVJBCFD-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH+](CC)CCO)C1 ZINC000187267983 442665964 /nfs/dbraw/zinc/66/59/64/442665964.db2.gz XCVUPDXCOCEJKG-MRXNPFEDSA-N 2 0 342.528 1.500 20 0 EDADRP C[NH2+]CC(=O)Nc1c(C)cnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193134986 442716586 /nfs/dbraw/zinc/71/65/86/442716586.db2.gz ZODFNLLZFSIEAA-MRXNPFEDSA-N 2 0 327.432 1.796 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[NH2+]CCO2)CCCC1)c1ccccc1 ZINC000188200859 442723942 /nfs/dbraw/zinc/72/39/42/442723942.db2.gz RJWYKDOSXNFCEF-NVXWUHKLSA-N 2 0 331.460 1.755 20 0 EDADRP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182834714 442833340 /nfs/dbraw/zinc/83/33/40/442833340.db2.gz OWFWKDBDLGFQEE-IRXDYDNUSA-N 2 0 345.553 1.205 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2[nH]nc3c2C[NH2+]CC3)C[N@@H+]1Cc1ccccc1 ZINC000188783111 442812053 /nfs/dbraw/zinc/81/20/53/442812053.db2.gz HATYWSPOCDPSQT-HIFRSBDPSA-N 2 0 339.443 1.448 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000265535991 442814259 /nfs/dbraw/zinc/81/42/59/442814259.db2.gz KAMPTGNVPDQTKN-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)C1 ZINC000265682994 442878054 /nfs/dbraw/zinc/87/80/54/442878054.db2.gz CDXPWWYUJSLDPJ-DLBZAZTESA-N 2 0 334.464 1.309 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@H]2[C@H](C)CCC[C@@H]2C)C1 ZINC000248600017 442905305 /nfs/dbraw/zinc/90/53/05/442905305.db2.gz UUIOEEZIUXHCJC-MJQMVNBJSA-N 2 0 339.524 1.874 20 0 EDADRP COC[C@H](C)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000189788484 318567045 /nfs/dbraw/zinc/56/70/45/318567045.db2.gz AOYZBSMQBJBAQY-OAHLLOKOSA-N 2 0 327.513 1.685 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CCOCC(F)(F)C(F)F ZINC000189781518 443009785 /nfs/dbraw/zinc/00/97/85/443009785.db2.gz IGOQBBBGPUZJQQ-UHFFFAOYSA-N 2 0 329.382 1.473 20 0 EDADRP C[C@@H](CN1CC[C@H]([NH+]2CCCC2)C1)C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000251061529 443013702 /nfs/dbraw/zinc/01/37/02/443013702.db2.gz CJYBIHLVEBLZPC-OWZKRDHZSA-N 2 0 334.552 1.963 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cnn1C ZINC000184686658 443059460 /nfs/dbraw/zinc/05/94/60/443059460.db2.gz LOPGDYUPZNXJFP-RDTXWAMCSA-N 2 0 343.475 1.798 20 0 EDADRP COc1cc2nc(N3CC[C@@H]([NH+]4CC=CC4)C3)nc(N)c2cc1OC ZINC000266233117 443067792 /nfs/dbraw/zinc/06/77/92/443067792.db2.gz JYPAKSCPCUVHJY-GFCCVEGCSA-N 2 0 341.415 1.680 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)N1CCOCC1 ZINC000236664767 443142966 /nfs/dbraw/zinc/14/29/66/443142966.db2.gz RGLVWLWJQIMYRU-ROUUACIJSA-N 2 0 331.460 1.174 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000184945741 443104388 /nfs/dbraw/zinc/10/43/88/443104388.db2.gz SWGLXFDTPKFPSD-SFHVURJKSA-N 2 0 332.492 1.432 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)CC(C)(C)[NH3+])CC2)C[C@@H](C)O1 ZINC000237500693 443174519 /nfs/dbraw/zinc/17/45/19/443174519.db2.gz NAHYKYAIVHIZCB-HUUCEWRRSA-N 2 0 325.497 1.852 20 0 EDADRP NS(=O)(=O)c1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000261971129 443177381 /nfs/dbraw/zinc/17/73/81/443177381.db2.gz ZAOQLMYOUPXJET-IAGOWNOFSA-N 2 0 331.441 1.611 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000262269699 443188086 /nfs/dbraw/zinc/18/80/86/443188086.db2.gz MTOOGMCREBENGI-UHFFFAOYSA-N 2 0 333.476 1.899 20 0 EDADRP Cc1c([C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)nnn1-c1ccc(F)cc1 ZINC000268954102 443158052 /nfs/dbraw/zinc/15/80/52/443158052.db2.gz CZIFZDIXRGEGHT-ZDUSSCGKSA-N 2 0 347.438 1.822 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H]2CCCn3ccnc32)CC1 ZINC000245419379 443225869 /nfs/dbraw/zinc/22/58/69/443225869.db2.gz LSWUDXFKKJPNFE-IRXDYDNUSA-N 2 0 345.491 1.389 20 0 EDADRP CN(C(=O)C[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000269235389 443244620 /nfs/dbraw/zinc/24/46/20/443244620.db2.gz GLKNUFQIIWIAEU-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000269207129 443233228 /nfs/dbraw/zinc/23/32/28/443233228.db2.gz ODZNSAFNFUKVLM-MSOLQXFVSA-N 2 0 344.503 1.703 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]([NH3+])C(C)C ZINC000269239827 443246020 /nfs/dbraw/zinc/24/60/20/443246020.db2.gz ATKONQPISDFPTR-KRWDZBQOSA-N 2 0 334.464 1.759 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401978920 319138471 /nfs/dbraw/zinc/13/84/71/319138471.db2.gz YXPJRGQBFRECRG-QGZVFWFLSA-N 2 0 347.459 1.444 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000269263071 443256670 /nfs/dbraw/zinc/25/66/70/443256670.db2.gz NYYKHCVDDFIXNE-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)(N2CCOCC2)CC1 ZINC000414205281 319319344 /nfs/dbraw/zinc/31/93/44/319319344.db2.gz XHUUVUVALCAXAO-FGTMMUONSA-N 2 0 349.519 1.330 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cccc3c2OC(F)(F)O3)C1 ZINC000414648891 319335626 /nfs/dbraw/zinc/33/56/26/319335626.db2.gz BUEPYOKFJDKCMV-GFCCVEGCSA-N 2 0 341.358 1.295 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCC1 ZINC000414658588 319337452 /nfs/dbraw/zinc/33/74/52/319337452.db2.gz LFYYPDHJGHSNJT-UHFFFAOYSA-N 2 0 330.432 1.219 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000414662326 319337882 /nfs/dbraw/zinc/33/78/82/319337882.db2.gz RAMZDQJKKIEEGE-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+](C)C ZINC000414675667 319340148 /nfs/dbraw/zinc/34/01/48/319340148.db2.gz GKJDPCSMGIECNE-INIZCTEOSA-N 2 0 332.448 1.321 20 0 EDADRP Cc1ccc(NC(=O)C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414679299 319340664 /nfs/dbraw/zinc/34/06/64/319340664.db2.gz ZFNZBSNKONOBDE-OAHLLOKOSA-N 2 0 332.448 1.063 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415127716 319346726 /nfs/dbraw/zinc/34/67/26/319346726.db2.gz SGNJQERQGOTBBN-MJGOQNOKSA-N 2 0 344.503 1.390 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000415197519 319349765 /nfs/dbraw/zinc/34/97/65/319349765.db2.gz VLDXCGOYLKLMHJ-INIZCTEOSA-N 2 0 346.475 1.581 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@](C)(C[NH3+])C2)ccc1C[NH+](C)C ZINC000415687027 319363792 /nfs/dbraw/zinc/36/37/92/319363792.db2.gz IKMRFZDQKVCGRR-GOSISDBHSA-N 2 0 332.448 1.192 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1CCOC ZINC000415970745 319386174 /nfs/dbraw/zinc/38/61/74/319386174.db2.gz IIOPHBVJMAXBDO-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@H](CO)C1 ZINC000266969677 443306151 /nfs/dbraw/zinc/30/61/51/443306151.db2.gz ZPLWCYNQWJHFPB-FUHWJXTLSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@H](NC[C@H](O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272444796 443319333 /nfs/dbraw/zinc/31/93/33/443319333.db2.gz JACPNLNWEPFBNA-SXLOBPIMSA-N 2 0 331.504 1.943 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C[C@@H]1C[NH3+] ZINC000417369398 319495165 /nfs/dbraw/zinc/49/51/65/319495165.db2.gz SBXNBBPXULCKLA-RDJZCZTQSA-N 2 0 348.491 1.753 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418509069 319503004 /nfs/dbraw/zinc/50/30/04/319503004.db2.gz AWUYUAYHAYETSC-ILXRZTDVSA-N 2 0 326.485 1.255 20 0 EDADRP CCS(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272509931 443345172 /nfs/dbraw/zinc/34/51/72/443345172.db2.gz OSIUIIOPBPVHIA-DOTOQJQBSA-N 2 0 339.505 1.426 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)cn1 ZINC000620012190 450402162 /nfs/dbraw/zinc/40/21/62/450402162.db2.gz WNYGRINVSAHNFL-QGZVFWFLSA-N 2 0 332.448 1.126 20 0 EDADRP CC(C)(C)CCNC(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000420369097 319611270 /nfs/dbraw/zinc/61/12/70/319611270.db2.gz BNLDAKVYTICDGP-DOTOQJQBSA-N 2 0 325.497 1.757 20 0 EDADRP CN(CC[NH3+])CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000420382990 319613319 /nfs/dbraw/zinc/61/33/19/319613319.db2.gz QGSAQPCLLJDBQA-INIZCTEOSA-N 2 0 338.883 1.484 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)c1 ZINC000278710414 443409286 /nfs/dbraw/zinc/40/92/86/443409286.db2.gz LPACOBVDSAVZJJ-KSZLIROESA-N 2 0 345.487 1.881 20 0 EDADRP C[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CC1 ZINC000264915261 443475471 /nfs/dbraw/zinc/47/54/71/443475471.db2.gz XYSAVNBTWVFONQ-UHFFFAOYSA-N 2 0 331.464 1.439 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@]3(C)CCC[NH2+]C3)cc2)CC1 ZINC000273037827 443525054 /nfs/dbraw/zinc/52/50/54/443525054.db2.gz ULJZCUOTGPMSJI-FQEVSTJZSA-N 2 0 344.503 1.554 20 0 EDADRP C[N@H+]1CC=C(CNC(=O)NCCC[NH+]2CCc3ccccc3C2)CC1 ZINC000272114423 443530509 /nfs/dbraw/zinc/53/05/09/443530509.db2.gz RJMHZNRQYKYWSR-UHFFFAOYSA-N 2 0 342.487 1.996 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000273098550 443538351 /nfs/dbraw/zinc/53/83/51/443538351.db2.gz PHCBCUOKPBKYND-HKUYNNGSSA-N 2 0 345.487 1.736 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)c1 ZINC000279371041 443566876 /nfs/dbraw/zinc/56/68/76/443566876.db2.gz GZXJWBQQRZXZFC-UHFFFAOYSA-N 2 0 330.432 1.367 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000272276981 443577804 /nfs/dbraw/zinc/57/78/04/443577804.db2.gz AZQOKYTXQKHTMO-QGZVFWFLSA-N 2 0 337.439 1.913 20 0 EDADRP C[C@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000273997053 443590440 /nfs/dbraw/zinc/59/04/40/443590440.db2.gz KFQPQKYHOURSIK-IKGGRYGDSA-N 2 0 347.503 1.762 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000427275951 319894950 /nfs/dbraw/zinc/89/49/50/319894950.db2.gz RDHWLRFOEKCZTE-KRWDZBQOSA-N 2 0 331.460 1.259 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000265391925 443626100 /nfs/dbraw/zinc/62/61/00/443626100.db2.gz OLVPKPLFSXJRFE-CYBMUJFWSA-N 2 0 344.419 1.052 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)c1 ZINC000265369763 443618978 /nfs/dbraw/zinc/61/89/78/443618978.db2.gz HPGUVDFJPWUTLZ-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCCCCC[NH+]1CCCC1 ZINC000454648620 320292978 /nfs/dbraw/zinc/29/29/78/320292978.db2.gz KGXDFFIWRSYMMV-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NCC[N@@H+]1CCCOCC1 ZINC000454999833 320299169 /nfs/dbraw/zinc/29/91/69/320299169.db2.gz JUVGYLQHQYAEGT-UHFFFAOYSA-N 2 0 326.485 1.274 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)[NH+]1CCCCC1 ZINC000457471035 320327155 /nfs/dbraw/zinc/32/71/55/320327155.db2.gz WBZUKWFCOPHUGY-INIZCTEOSA-N 2 0 340.512 1.397 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccc3c(c2)CC[NH2+]CC3)CC[N@@H+]1C[C@H](C)O ZINC000276459722 443714172 /nfs/dbraw/zinc/71/41/72/443714172.db2.gz AFVZENNHRLTWDD-HNAYVOBHSA-N 2 0 345.487 1.292 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000283823388 443732783 /nfs/dbraw/zinc/73/27/83/443732783.db2.gz YUGQCEMRQQCCOC-SJORKVTESA-N 2 0 346.475 1.006 20 0 EDADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000298398457 443761719 /nfs/dbraw/zinc/76/17/19/443761719.db2.gz GIEUXDVJOUEKRY-OAGGEKHMSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000285055724 443839565 /nfs/dbraw/zinc/83/95/65/443839565.db2.gz BRBCXXQAAQMDKS-WMZOPIPTSA-N 2 0 347.459 1.172 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298568027 443802253 /nfs/dbraw/zinc/80/22/53/443802253.db2.gz WTONDBDJCIAZPS-SFHVURJKSA-N 3 0 345.535 1.914 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCCO ZINC000281590884 443953155 /nfs/dbraw/zinc/95/31/55/443953155.db2.gz FNYVPMGNDHHGKC-INIZCTEOSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000299170027 443973121 /nfs/dbraw/zinc/97/31/21/443973121.db2.gz WTNCVDASQXNWER-LJQANCHMSA-N 2 0 344.503 1.357 20 0 EDADRP COCCC[N@H+](C)CC(=O)N1CCN(Cc2ccccc2C)CC1 ZINC000299254992 443997497 /nfs/dbraw/zinc/99/74/97/443997497.db2.gz DOSZYXQAUYKFSO-UHFFFAOYSA-N 2 0 333.476 1.608 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nccn1-c1ccccc1 ZINC000549224661 320904553 /nfs/dbraw/zinc/90/45/53/320904553.db2.gz IZKHGFCRDAMGGB-UHFFFAOYSA-N 2 0 344.463 1.829 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2)N1CC[NH+](C)CC1 ZINC000285497624 444006856 /nfs/dbraw/zinc/00/68/56/444006856.db2.gz AAGIKBQQELHTBL-ZIAGYGMSSA-N 2 0 332.448 1.304 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000285540684 444022526 /nfs/dbraw/zinc/02/25/26/444022526.db2.gz BVMSXQOGFSMESB-JKSUJKDBSA-N 2 0 348.491 1.080 20 0 EDADRP O=c1[nH]ncc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1Cl ZINC000299553671 444077627 /nfs/dbraw/zinc/07/76/27/444077627.db2.gz LWDGRYYTACLRMB-UHFFFAOYSA-N 2 0 348.838 1.443 20 0 EDADRP CC[C@@H]1CN(C)CCN1C(=O)c1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000557919057 321008873 /nfs/dbraw/zinc/00/88/73/321008873.db2.gz BERAHBNQSUPBIX-GOSISDBHSA-N 2 0 344.503 1.995 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000561223813 321037502 /nfs/dbraw/zinc/03/75/02/321037502.db2.gz GIBFGJNHNXMLGU-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC000562986943 321084740 /nfs/dbraw/zinc/08/47/40/321084740.db2.gz DJGXQSQWZPWBHA-UXLLHSPISA-N 2 0 327.513 1.309 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563209811 321100451 /nfs/dbraw/zinc/10/04/51/321100451.db2.gz ZNHKASWAZYBADQ-DLBZAZTESA-N 2 0 332.492 1.831 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccccc2OCCN2CCOCC2)C1 ZINC000563422473 321110599 /nfs/dbraw/zinc/11/05/99/321110599.db2.gz DOLIIETUIKTXJL-MSOLQXFVSA-N 2 0 333.476 1.757 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000564827515 321150772 /nfs/dbraw/zinc/15/07/72/321150772.db2.gz QKYMDTLNWJSIIO-LCGIIJARSA-N 2 0 337.489 1.633 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000564933298 321158901 /nfs/dbraw/zinc/15/89/01/321158901.db2.gz HFQJJQIVMGSBNC-SFHVURJKSA-N 2 0 345.491 1.067 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)[C@H](C)[NH2+]C)CC1 ZINC000565315817 321181798 /nfs/dbraw/zinc/18/17/98/321181798.db2.gz ZHZLXPVXOZNGGP-KGLIPLIRSA-N 2 0 336.455 1.753 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC(CC[NH3+])CC1)Cc1ccccc1 ZINC000565366088 321183865 /nfs/dbraw/zinc/18/38/65/321183865.db2.gz NUNRZDOJGYRIQZ-SFHVURJKSA-N 2 0 332.492 1.930 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000566057724 321212913 /nfs/dbraw/zinc/21/29/13/321212913.db2.gz MWEBLEFWXUFEQQ-RYQLBKOJSA-N 2 0 348.466 1.912 20 0 EDADRP [NH3+]CC1(O)CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000566207587 321222352 /nfs/dbraw/zinc/22/23/52/321222352.db2.gz AMCIURNMLLOOJJ-UHFFFAOYSA-N 2 0 331.460 1.211 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)[C@]1(C)CCC[NH2+]1)c1ccccc1 ZINC000567739557 321256744 /nfs/dbraw/zinc/25/67/44/321256744.db2.gz VIFDKTJGBPRIQS-HKUYNNGSSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000568231760 321283566 /nfs/dbraw/zinc/28/35/66/321283566.db2.gz JNQOWQKVBCDAQX-ATLSCFEFSA-N 2 0 330.476 1.947 20 0 EDADRP O=C(CN1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc2c(c1)OCCO2 ZINC000568395047 321289503 /nfs/dbraw/zinc/28/95/03/321289503.db2.gz MPIJDXNAFYRMSH-SFHVURJKSA-N 2 0 331.416 1.472 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000568517216 321295338 /nfs/dbraw/zinc/29/53/38/321295338.db2.gz CQYKMUPREYHCHR-AEFFLSMTSA-N 3 0 345.491 1.098 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569229657 321322305 /nfs/dbraw/zinc/32/23/05/321322305.db2.gz LOCNGCBXYQBVJJ-CYZMBNFOSA-N 2 0 333.354 1.865 20 0 EDADRP CC(C)[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[N@@H+]1C ZINC000569320841 321323985 /nfs/dbraw/zinc/32/39/85/321323985.db2.gz HDWLBTTYQBFEOT-MRXNPFEDSA-N 2 0 332.448 1.973 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000570663759 321352896 /nfs/dbraw/zinc/35/28/96/321352896.db2.gz XMYFFQDZYAHTPL-OAHLLOKOSA-N 2 0 332.448 1.192 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000570942804 321365724 /nfs/dbraw/zinc/36/57/24/321365724.db2.gz HQFCXZWSTCLXST-YFHUEUNASA-N 2 0 338.496 1.127 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)[C@@H](C)C[N@@H+]1CCO ZINC000570943745 321365927 /nfs/dbraw/zinc/36/59/27/321365927.db2.gz SISDXXAJBDFXQN-VYDXJSESSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000570943356 321366011 /nfs/dbraw/zinc/36/60/11/321366011.db2.gz XJZBIJRUIHEGMG-UHFFFAOYSA-N 2 0 333.480 1.985 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C(N)=O)cs1 ZINC000289562366 444171980 /nfs/dbraw/zinc/17/19/80/444171980.db2.gz YVXHVCAFEHNFAC-HNNXBMFYSA-N 2 0 338.521 1.695 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C(=O)OC)co1 ZINC000289373496 444122058 /nfs/dbraw/zinc/12/20/58/444122058.db2.gz BLSRCRWHLWHCNF-INIZCTEOSA-N 2 0 337.464 1.914 20 0 EDADRP O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000574762066 321499729 /nfs/dbraw/zinc/49/97/29/321499729.db2.gz CDYBVZHXWCUMOW-JQHSSLGASA-N 2 0 333.476 1.277 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)CCC2 ZINC000289562570 444172718 /nfs/dbraw/zinc/17/27/18/444172718.db2.gz CTTRRBBYNZCILB-ACJLOTCBSA-N 2 0 349.500 1.785 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000286001878 444173948 /nfs/dbraw/zinc/17/39/48/444173948.db2.gz IUAWOKHOZJHJKX-QGZVFWFLSA-N 2 0 337.439 1.485 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000290218230 444255504 /nfs/dbraw/zinc/25/55/04/444255504.db2.gz STAKVZDVXZWJMU-ZWKOTPCHSA-N 3 0 345.491 1.098 20 0 EDADRP CO[C@H](C[NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000290056831 444236375 /nfs/dbraw/zinc/23/63/75/444236375.db2.gz HNIAWXOBEKUMEK-UONOGXRCSA-N 2 0 345.365 1.370 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000303344959 444236807 /nfs/dbraw/zinc/23/68/07/444236807.db2.gz ZPEOVZQYIPJQMX-SJORKVTESA-N 2 0 339.524 1.658 20 0 EDADRP CN(CCC[N@H+](C)Cc1cn(C)nc1-c1cccnc1)CC[NH+](C)C ZINC000290131462 444246347 /nfs/dbraw/zinc/24/63/47/444246347.db2.gz JQPYNXHORBOVSG-UHFFFAOYSA-N 2 0 344.507 1.797 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310347769 444291577 /nfs/dbraw/zinc/29/15/77/444291577.db2.gz OLHJMDFEDGGVNP-IEBWSBKVSA-N 2 0 331.460 1.251 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000337675610 444344988 /nfs/dbraw/zinc/34/49/88/444344988.db2.gz ZZVVSAWDFNYZBC-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP CCC[NH+]1CCC(NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000331000209 444353210 /nfs/dbraw/zinc/35/32/10/444353210.db2.gz JOIUHXJDAUSWBL-UHFFFAOYSA-N 2 0 339.505 1.901 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000578745287 321823597 /nfs/dbraw/zinc/82/35/97/321823597.db2.gz MONNMXOFLQNPFL-NVXWUHKLSA-N 2 0 339.867 1.685 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CC(=O)N(c2c(F)cccc2F)C1 ZINC000579225341 321902647 /nfs/dbraw/zinc/90/26/47/321902647.db2.gz ACINGVTWOKPNPR-JUFZMCDQSA-N 2 0 339.386 1.412 20 0 EDADRP O=C(CC[NH2+]C1CC1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000579611598 321954104 /nfs/dbraw/zinc/95/41/04/321954104.db2.gz NNTCTGHPQCYVOB-UHFFFAOYSA-N 2 0 330.476 1.457 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000580053619 322002517 /nfs/dbraw/zinc/00/25/17/322002517.db2.gz YYSFWBYKUIQQQQ-FGTMMUONSA-N 2 0 328.460 1.497 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]CCC(=O)NC(N)=O)cc2)C1 ZINC000580296641 322032542 /nfs/dbraw/zinc/03/25/42/322032542.db2.gz WGMIQPDNXBBQOK-AWEZNQCLSA-N 2 0 332.448 1.593 20 0 EDADRP C[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000580300421 322032828 /nfs/dbraw/zinc/03/28/28/322032828.db2.gz KTQSHQPDJBIEHW-GUTXKFCHSA-N 2 0 344.450 1.936 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)C1CC1 ZINC000580882252 322106946 /nfs/dbraw/zinc/10/69/46/322106946.db2.gz HBTIDVKJOVYHKF-OAHLLOKOSA-N 2 0 340.537 1.775 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H]1c1cccc(F)c1 ZINC000581312280 322163008 /nfs/dbraw/zinc/16/30/08/322163008.db2.gz OVWDJEHWPKVTMY-OTWHNJEPSA-N 2 0 339.414 1.966 20 0 EDADRP O=C(N[C@H]1CCc2nc[nH]c2C1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000332878568 444583455 /nfs/dbraw/zinc/58/34/55/444583455.db2.gz BDPWJZUJIQKHMW-LSDHHAIUSA-N 2 0 331.464 1.927 20 0 EDADRP C[N@@H+]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000342162097 444541776 /nfs/dbraw/zinc/54/17/76/444541776.db2.gz MLTDFPHINNCLDW-UHFFFAOYSA-N 2 0 344.503 1.753 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C12CCC2 ZINC000333237315 444649162 /nfs/dbraw/zinc/64/91/62/444649162.db2.gz DFUSRDYIFFHWGS-KONPQCLYSA-N 2 0 335.492 1.571 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000333416324 444666042 /nfs/dbraw/zinc/66/60/42/444666042.db2.gz RXRDECQELVVWGY-FLXSYLCISA-N 2 0 335.492 1.652 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)NC[C@@H]1C[NH2+]CCCO1 ZINC000333551899 444679838 /nfs/dbraw/zinc/67/98/38/444679838.db2.gz KIBIVPRXXYOPQH-SJORKVTESA-N 2 0 338.496 1.461 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341191899 444720323 /nfs/dbraw/zinc/72/03/23/444720323.db2.gz OZUUCGDJMCWACW-GOSISDBHSA-N 2 0 336.476 1.846 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[C@H]1[NH3+] ZINC000333941984 444724082 /nfs/dbraw/zinc/72/40/82/444724082.db2.gz POWKSLCAGVVKNR-HUUCEWRRSA-N 2 0 340.537 1.727 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000333794816 444698025 /nfs/dbraw/zinc/69/80/25/444698025.db2.gz NASDNEPHCHUFAB-XUWVNRHRSA-N 2 0 326.485 1.031 20 0 EDADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028016 444737813 /nfs/dbraw/zinc/73/78/13/444737813.db2.gz LPRKJXATLRGDKC-MSOLQXFVSA-N 2 0 340.556 1.981 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000344074626 444767528 /nfs/dbraw/zinc/76/75/28/444767528.db2.gz ZXJJJTZCWJZASP-LJQANCHMSA-N 2 0 344.503 1.899 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+](CC)CC)C[C@H]1CC ZINC000342664708 444804098 /nfs/dbraw/zinc/80/40/98/444804098.db2.gz QHYAVBJWGSWCQJ-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000336878484 444824073 /nfs/dbraw/zinc/82/40/73/444824073.db2.gz FQAVWYNPXYKQHH-YYAJDYIMSA-N 2 0 337.508 1.900 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000342755410 444850298 /nfs/dbraw/zinc/85/02/98/444850298.db2.gz QVMCKDPNSXXPJF-CQSZACIVSA-N 2 0 348.447 1.412 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H]3CCC[N@H+](C)[C@H]3C)CC2)c1 ZINC000344302116 444888741 /nfs/dbraw/zinc/88/87/41/444888741.db2.gz UNFCWPBNPMABQB-GOEBONIOSA-N 2 0 347.463 1.405 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000341699469 444955387 /nfs/dbraw/zinc/95/53/87/444955387.db2.gz MZJAFJKJDCAGNJ-QGZVFWFLSA-N 2 0 346.519 1.894 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343042903 445024465 /nfs/dbraw/zinc/02/44/65/445024465.db2.gz ZHBQNNWPHMWNKC-JKSUJKDBSA-N 2 0 348.516 1.391 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC[C@@H](C)C1)C(C)C ZINC000343143994 445093836 /nfs/dbraw/zinc/09/38/36/445093836.db2.gz UHDDQMMNGBJKAV-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP CCc1nocc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000339218406 445095509 /nfs/dbraw/zinc/09/55/09/445095509.db2.gz QWWXSRDHVGKLMP-UHFFFAOYSA-N 2 0 329.448 1.934 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343251232 445161616 /nfs/dbraw/zinc/16/16/16/445161616.db2.gz MDHCTNAXKAOSIL-GUDVDZBRSA-N 2 0 338.540 1.151 20 0 EDADRP CC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330807025 445148914 /nfs/dbraw/zinc/14/89/14/445148914.db2.gz CMLJDNBQCPTTEK-RVKKMQEKSA-N 2 0 326.481 1.538 20 0 EDADRP Cn1nccc1[C@H]1[C@H](C[N@H+](C)C[C@H](O)C(F)(F)F)CCCN1C ZINC000346932170 445228319 /nfs/dbraw/zinc/22/83/19/445228319.db2.gz PXDOEOBYRMTDLG-FPMFFAJLSA-N 2 0 334.386 1.658 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CC1 ZINC000348099735 445267728 /nfs/dbraw/zinc/26/77/28/445267728.db2.gz CRKWBWZJZQVQTM-LSDHHAIUSA-N 2 0 337.430 1.960 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C1 ZINC000347563790 445242394 /nfs/dbraw/zinc/24/23/94/445242394.db2.gz NTPOPGRISFMLDS-YESZJQIVSA-N 2 0 340.512 1.325 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CC[NH+](C)[C@H]1c1cccnc1 ZINC000351628325 445247578 /nfs/dbraw/zinc/24/75/78/445247578.db2.gz JHYCUDJREQVFBD-WDSOQIARSA-N 2 0 332.492 1.461 20 0 EDADRP Cc1cnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)nc1N[C@@H]1CCC[NH+](C)[C@@H]1C ZINC000343600357 445258276 /nfs/dbraw/zinc/25/82/76/445258276.db2.gz KCICFQZEFITBHL-QBPKDAKJSA-N 2 0 346.523 2.574 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)[C@@H]2COC[C@H]2O)CC1 ZINC000348645549 445343692 /nfs/dbraw/zinc/34/36/92/445343692.db2.gz OFAHGRPOGUDLDX-RTBURBONSA-N 2 0 333.476 1.410 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000351859146 445345387 /nfs/dbraw/zinc/34/53/87/445345387.db2.gz FQABABYACXFNJJ-CVEARBPZSA-N 2 0 348.466 1.534 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)C[C@@H]1C ZINC000351883061 445354333 /nfs/dbraw/zinc/35/43/33/445354333.db2.gz MZEVPURHXFTGDG-NCOADZHNSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2Cc1cnn(CC(F)F)c1 ZINC000351807054 445328056 /nfs/dbraw/zinc/32/80/56/445328056.db2.gz GQMRELZIQIPCKR-ILXRZTDVSA-N 2 0 328.407 1.832 20 0 EDADRP C[N@H+](CC[C@H]1CCC[NH+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483901 445406303 /nfs/dbraw/zinc/40/63/03/445406303.db2.gz FHHYWBOODCKTQZ-QGZVFWFLSA-N 2 0 336.524 1.489 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NCCOc1ccccc1 ZINC000357072668 445407964 /nfs/dbraw/zinc/40/79/64/445407964.db2.gz HNTHZTMAJZISLI-KRWDZBQOSA-N 2 0 331.460 1.503 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000348844560 445411987 /nfs/dbraw/zinc/41/19/87/445411987.db2.gz LMRYUNUPLNZMIC-UHFFFAOYSA-N 2 0 338.540 1.498 20 0 EDADRP [NH3+]CCOCC[NH+]1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000357078647 445412116 /nfs/dbraw/zinc/41/21/16/445412116.db2.gz ROLUCDWQHVHAJZ-UHFFFAOYSA-N 2 0 331.382 1.798 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N[C@H]1CCOc2ccccc21 ZINC000357081384 445414373 /nfs/dbraw/zinc/41/43/73/445414373.db2.gz GTRVBWHWSIWPBT-AEFFLSMTSA-N 2 0 343.471 1.948 20 0 EDADRP CC(C)CCOCCNC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357086289 445417754 /nfs/dbraw/zinc/41/77/54/445417754.db2.gz UQRVXPRONQLPCN-QGZVFWFLSA-N 2 0 325.497 1.487 20 0 EDADRP CC[C@@H](C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1)[NH+](CC)CC ZINC000359799205 445434038 /nfs/dbraw/zinc/43/40/38/445434038.db2.gz PZCKOPNNONZGFJ-SFHVURJKSA-N 2 0 349.523 1.926 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362554420 445437058 /nfs/dbraw/zinc/43/70/58/445437058.db2.gz XALDKGQOWRGYPZ-HNNXBMFYSA-N 2 0 335.496 1.927 20 0 EDADRP C[N@H+](CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)C1CCCCC1 ZINC000362565077 445442789 /nfs/dbraw/zinc/44/27/89/445442789.db2.gz QTBAKURLHDRODY-CQSZACIVSA-N 2 0 333.480 1.871 20 0 EDADRP CCN1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+]([C@H](C)c3ccccc3)C2)C1 ZINC000352039407 445454590 /nfs/dbraw/zinc/45/45/90/445454590.db2.gz FYRRTHYZSMFVEH-NXHRZFHOSA-N 2 0 331.460 1.659 20 0 EDADRP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704499 445509500 /nfs/dbraw/zinc/50/95/00/445509500.db2.gz JPPIPASNCIDROF-DJIMGWMZSA-N 2 0 335.496 1.650 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@]23C[NH2+]C[C@H]2CCCC3)CC1 ZINC000357254684 445509907 /nfs/dbraw/zinc/50/99/07/445509907.db2.gz YTXPMROMBBIRDK-LMMKCTJWSA-N 2 0 336.524 1.156 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000357258576 445511696 /nfs/dbraw/zinc/51/16/96/445511696.db2.gz QUIFVSMDXYFCFG-OAHLLOKOSA-N 2 0 331.460 1.633 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352208400 445514185 /nfs/dbraw/zinc/51/41/85/445514185.db2.gz NGOHWHSKOCREEV-HZPDHXFCSA-N 2 0 326.485 1.080 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)cc1 ZINC000357304344 445536999 /nfs/dbraw/zinc/53/69/99/445536999.db2.gz HYEYLZXOAILZSD-ROUUACIJSA-N 2 0 349.475 1.523 20 0 EDADRP COC[C@]1(CNC(=O)c2ccccc2OCC[NH+](C)C)CCC[NH2+]1 ZINC000357294656 445531623 /nfs/dbraw/zinc/53/16/23/445531623.db2.gz VTXBUCZNDBQMFR-GOSISDBHSA-N 2 0 335.448 1.125 20 0 EDADRP O=C1CNCCN1[C@H]1CCCN(Cc2cc(Cl)ccc2F)C1 ZINC000362673536 445492234 /nfs/dbraw/zinc/49/22/34/445492234.db2.gz ORXIUMGWCUQSPW-AWEZNQCLSA-N 2 0 325.815 1.875 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000352112373 445501078 /nfs/dbraw/zinc/50/10/78/445501078.db2.gz SOIJKKJRQCIBRU-IBGZPJMESA-N 2 0 347.459 1.927 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CCCC2)CC1 ZINC000362760409 445536008 /nfs/dbraw/zinc/53/60/08/445536008.db2.gz QXBNFLYNBFICAH-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2COCCN2C2CCCC2)C1 ZINC000357599548 445569830 /nfs/dbraw/zinc/56/98/30/445569830.db2.gz NERWBAFVMCMPNY-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000353475480 445619024 /nfs/dbraw/zinc/61/90/24/445619024.db2.gz XRIGXMAMFAOMEQ-ZWKOTPCHSA-N 2 0 331.460 1.970 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000349608777 445622048 /nfs/dbraw/zinc/62/20/48/445622048.db2.gz GUKWSINVWKFXTC-PVAVHDDUSA-N 2 0 340.512 1.394 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)[C@H]2C[NH+](C)C[C@@H]2C)CC1 ZINC000363001419 445645494 /nfs/dbraw/zinc/64/54/94/445645494.db2.gz NFKSLUIWWOHEEW-WMZOPIPTSA-N 2 0 339.524 1.781 20 0 EDADRP CC(C)CNC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363018337 445651627 /nfs/dbraw/zinc/65/16/27/445651627.db2.gz RYVBVADLTQOWJF-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363053088 445661829 /nfs/dbraw/zinc/66/18/29/445661829.db2.gz CXDUTXXFWKLQRO-LSDHHAIUSA-N 2 0 329.510 1.041 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000363200354 445718964 /nfs/dbraw/zinc/71/89/64/445718964.db2.gz JDZVEIMVRIHVKW-GOSISDBHSA-N 2 0 345.491 1.482 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363091341 445673474 /nfs/dbraw/zinc/67/34/74/445673474.db2.gz CARUGISSQPQOSZ-JKSUJKDBSA-N 2 0 347.459 1.220 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000363122411 445687077 /nfs/dbraw/zinc/68/70/77/445687077.db2.gz OALWZDFDPBDCDC-MRXNPFEDSA-N 2 0 331.460 1.937 20 0 EDADRP CC[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)OC ZINC000360594126 445716131 /nfs/dbraw/zinc/71/61/31/445716131.db2.gz CGQODLZVKCZSNB-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353588913 445668838 /nfs/dbraw/zinc/66/88/38/445668838.db2.gz OEPWJOMGRIRACT-KURKYZTESA-N 2 0 345.487 1.816 20 0 EDADRP C[C@H](CCNC(=O)NC[C@]1(O)CC[N@H+](C)C1)[NH+](C)Cc1ccccc1 ZINC000358722429 445742126 /nfs/dbraw/zinc/74/21/26/445742126.db2.gz ODLUVBQVMGVOJD-VQIMIIECSA-N 2 0 348.491 1.263 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350146893 445779470 /nfs/dbraw/zinc/77/94/70/445779470.db2.gz NNVAMSODSGTDNU-UHFFFAOYSA-N 2 0 335.496 1.339 20 0 EDADRP CCC[NH+]1CCN(C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)CC1 ZINC000363397076 445787699 /nfs/dbraw/zinc/78/76/99/445787699.db2.gz FBXZUIPUXYUZBY-GOSISDBHSA-N 2 0 338.540 1.591 20 0 EDADRP COCC[C@H]1COCCN1CC(C)C[N@@H+]1CCOC[C@@H]1CCOC ZINC000361526551 445803659 /nfs/dbraw/zinc/80/36/59/445803659.db2.gz BEVIKKYUCJUUQJ-ROUUACIJSA-N 2 0 344.496 1.097 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(=O)NCC2CC2)CC1 ZINC000350312342 445809668 /nfs/dbraw/zinc/80/96/68/445809668.db2.gz PIRNXTNQJKVSJY-UHFFFAOYSA-N 2 0 344.503 1.834 20 0 EDADRP C[C@H](NC(=O)N(C)CCC[N@H+](C)CCN(C)C)C1=CC[NH+](C)CC1 ZINC000359012500 445886884 /nfs/dbraw/zinc/88/68/84/445886884.db2.gz XDPONMFYLPOHST-INIZCTEOSA-N 2 0 339.528 1.162 20 0 EDADRP CC(C)c1nccn1[C@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000363505972 445835565 /nfs/dbraw/zinc/83/55/65/445835565.db2.gz DERFKPQGLNNQSX-JKSUJKDBSA-N 2 0 334.464 1.627 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000365962393 445930128 /nfs/dbraw/zinc/93/01/28/445930128.db2.gz DTTYGBJMHWGGRE-APWZRJJASA-N 2 0 345.487 1.979 20 0 EDADRP Cc1cc(N2CCC([N@H+](C)CCO)CC2)nc(-c2ccncc2)n1 ZINC000350736201 445892864 /nfs/dbraw/zinc/89/28/64/445892864.db2.gz IRTUGVYSVMITKO-UHFFFAOYSA-N 2 0 327.432 1.740 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H](C)[C@H]([NH3+])c3ccccc3)C2)CC1 ZINC000583140534 326010871 /nfs/dbraw/zinc/01/08/71/326010871.db2.gz AMXOPTNTETVQCI-UHOSZYNNSA-N 2 0 344.503 1.561 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000583370766 326058980 /nfs/dbraw/zinc/05/89/80/326058980.db2.gz OHFOEFVDMRLRJI-WMZOPIPTSA-N 2 0 346.475 1.883 20 0 EDADRP CCCCCn1cc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)c(C)n1 ZINC000583747755 326131025 /nfs/dbraw/zinc/13/10/25/326131025.db2.gz CRAVJDRLUXRFOV-GOSISDBHSA-N 2 0 337.512 1.080 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)NCC1CC[NH2+]CC1)CC2 ZINC000583751770 326132887 /nfs/dbraw/zinc/13/28/87/326132887.db2.gz WQUPHDOUMFKOBZ-UHFFFAOYSA-N 2 0 347.459 1.178 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@H]1[NH3+] ZINC000583801517 326141725 /nfs/dbraw/zinc/14/17/25/326141725.db2.gz OGNXLAIKIPLRAE-BHIYHBOVSA-N 2 0 344.503 1.930 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000583802064 326142233 /nfs/dbraw/zinc/14/22/33/326142233.db2.gz QLIHRZOMVHAKNK-VSZNYVQBSA-N 2 0 330.476 1.914 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCN1CCCN(c2ncccc2C(N)=O)CC1 ZINC000366177130 446063275 /nfs/dbraw/zinc/06/32/75/446063275.db2.gz DJVQVRFZCVBDEC-INIZCTEOSA-N 2 0 345.491 1.567 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)c1 ZINC000584100674 326198789 /nfs/dbraw/zinc/19/87/89/326198789.db2.gz IZYREXUTUFXLSL-CABCVRRESA-N 2 0 332.448 1.700 20 0 EDADRP CC1(C)[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)[C@@H]2CCCO[C@@H]21 ZINC000584154039 326208663 /nfs/dbraw/zinc/20/86/63/326208663.db2.gz APMOLAJAICEMAB-JQHSSLGASA-N 2 0 335.492 1.523 20 0 EDADRP CC1(C[NH+]2CCOCC2)CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000369320197 446071684 /nfs/dbraw/zinc/07/16/84/446071684.db2.gz VVZQMIKKHIDGDF-KRWDZBQOSA-N 2 0 326.481 1.964 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(-n2ccnc2)nc1 ZINC000366193181 446074163 /nfs/dbraw/zinc/07/41/63/446074163.db2.gz SBPLNLUHEIOHGK-MRXNPFEDSA-N 2 0 341.415 1.250 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000369329757 446077906 /nfs/dbraw/zinc/07/79/06/446077906.db2.gz NPAANBNJBMDYBE-MSOLQXFVSA-N 2 0 336.524 1.534 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[C@H]4CC[NH2+][C@H]4C3)c2)CC1 ZINC000369340388 446084059 /nfs/dbraw/zinc/08/40/59/446084059.db2.gz WKBJNHPDNFKUEJ-MJGOQNOKSA-N 2 0 342.487 1.258 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2)CC1)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500239 446106149 /nfs/dbraw/zinc/10/61/49/446106149.db2.gz WWVJQUVULKTSMM-JFRXWTBNSA-N 2 0 342.487 1.393 20 0 EDADRP C[C@H]([NH2+]CCNc1cnccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000361980567 446124807 /nfs/dbraw/zinc/12/48/07/446124807.db2.gz LCDUQPBYQNKMMG-HNNXBMFYSA-N 2 0 329.448 2.180 20 0 EDADRP O=C(NCC[NH+]1CCC1)[C@H]1C[N@@H+](Cc2ccccc2)CCC1(F)F ZINC000354341429 446126165 /nfs/dbraw/zinc/12/61/65/446126165.db2.gz UGOUXXVXTQSNMD-MRXNPFEDSA-N 2 0 337.414 1.966 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(F)cc1 ZINC000359346617 446165789 /nfs/dbraw/zinc/16/57/89/446165789.db2.gz CLCXLASNQAESRV-NVXWUHKLSA-N 2 0 334.439 1.964 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000359371387 446179623 /nfs/dbraw/zinc/17/96/23/446179623.db2.gz CRJROYAZWUJBKG-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)CCCC1)c1ccccc1 ZINC000365323352 446145888 /nfs/dbraw/zinc/14/58/88/446145888.db2.gz TUGMKAJRBVUPEN-HYVNUMGLSA-N 2 0 331.460 1.489 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCC[C@@H]3[NH3+])[C@H](C)C2)s1 ZINC000366324216 446150758 /nfs/dbraw/zinc/15/07/58/446150758.db2.gz NMCXJDGMSABVRW-FWYOQMDTSA-N 2 0 336.505 1.906 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)nc2)CC1 ZINC000366324669 446150906 /nfs/dbraw/zinc/15/09/06/446150906.db2.gz OBLYZYSRCVZSJJ-KRWDZBQOSA-N 2 0 335.427 1.252 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000362079296 446198701 /nfs/dbraw/zinc/19/87/01/446198701.db2.gz TXYYOUORGLZQCQ-HOTGVXAUSA-N 2 0 338.496 1.080 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCOCC1 ZINC000366479261 446231097 /nfs/dbraw/zinc/23/10/97/446231097.db2.gz GJPMKIXGYNBLNV-CRAIPNDOSA-N 2 0 335.492 1.763 20 0 EDADRP Cc1cccc(OCCCNC(=O)CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000366477915 446231561 /nfs/dbraw/zinc/23/15/61/446231561.db2.gz BRMLCSOAUUBVNO-FQEVSTJZSA-N 2 0 345.487 1.908 20 0 EDADRP CC[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]C1 ZINC000362157691 446241254 /nfs/dbraw/zinc/24/12/54/446241254.db2.gz VSGXOMLSERKCGO-HXUWFJFHSA-N 2 0 345.487 1.649 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000373547229 446255953 /nfs/dbraw/zinc/25/59/53/446255953.db2.gz SNZPBKTWTSASFA-FUHWJXTLSA-N 2 0 330.476 1.942 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000373547432 446256843 /nfs/dbraw/zinc/25/68/43/446256843.db2.gz UTJINXJCFHIFFN-ICSRJNTNSA-N 2 0 347.503 1.668 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000366552702 446259248 /nfs/dbraw/zinc/25/92/48/446259248.db2.gz DJQSCOUWIUGNJR-HYVNUMGLSA-N 2 0 336.480 1.118 20 0 EDADRP Cc1cccc(OC[C@@H](O)CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000366665051 446300625 /nfs/dbraw/zinc/30/06/25/446300625.db2.gz XGBAAZNNEIGUAF-OALUTQOASA-N 2 0 347.503 1.447 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000417483052 446353337 /nfs/dbraw/zinc/35/33/37/446353337.db2.gz RBNWXTKGKQNRNX-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H](C)C[NH2+]1 ZINC000417503083 446356507 /nfs/dbraw/zinc/35/65/07/446356507.db2.gz LLWXBEZEMLUKCR-AOIWGVFYSA-N 2 0 344.503 1.943 20 0 EDADRP COc1cccc(N2CCC([NH2+]C[C@@H](C)N3CC[NH+](C)CC3)CC2)c1 ZINC000370628695 446363585 /nfs/dbraw/zinc/36/35/85/446363585.db2.gz LFMLBXXPTKYRJK-QGZVFWFLSA-N 2 0 346.519 1.890 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000417668598 446369641 /nfs/dbraw/zinc/36/96/41/446369641.db2.gz JTOZXSDMIXTVNF-OAGGEKHMSA-N 2 0 328.501 1.421 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2([NH3+])CCC2)CC1 ZINC000417930580 446389404 /nfs/dbraw/zinc/38/94/04/446389404.db2.gz KBAPKIYULVBROQ-CQSZACIVSA-N 2 0 331.464 1.788 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)[C@H]1c1ccccc1 ZINC000417948137 446396171 /nfs/dbraw/zinc/39/61/71/446396171.db2.gz SRRIWMBTJHJPJU-SCTDSRPQSA-N 2 0 328.460 1.827 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1)CCC(F)(F)F ZINC000418077597 446434538 /nfs/dbraw/zinc/43/45/38/446434538.db2.gz MEDAGFLTCSRSIR-OLZOCXBDSA-N 2 0 336.402 1.654 20 0 EDADRP Cc1ncccc1O[C@H]1CC[N@@H+](CCC(=O)N2CCN(C)CC2)C1 ZINC000366913118 446409096 /nfs/dbraw/zinc/40/90/96/446409096.db2.gz RELNRDPEXUTAHS-INIZCTEOSA-N 2 0 332.448 1.007 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000418002921 446412531 /nfs/dbraw/zinc/41/25/31/446412531.db2.gz XUYRZMZNXOJGCI-GOSISDBHSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418012436 446415277 /nfs/dbraw/zinc/41/52/77/446415277.db2.gz LXTLCYQYBDOOGD-ATLSCFEFSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418017422 446416536 /nfs/dbraw/zinc/41/65/36/446416536.db2.gz SOVIOHZCGOPJGT-OWYHZJEWSA-N 2 0 342.487 1.758 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418017493 446416896 /nfs/dbraw/zinc/41/68/96/446416896.db2.gz YDFUECNQKFJCJO-CGTJXYLNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418189990 446454269 /nfs/dbraw/zinc/45/42/69/446454269.db2.gz IMTPFXBFFWDJNG-GDBMZVCRSA-N 2 0 349.479 1.209 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[N@@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000420314980 446480768 /nfs/dbraw/zinc/48/07/68/446480768.db2.gz RHYKFHPTDKXWSD-GOEBONIOSA-N 2 0 347.459 1.539 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423220508 446456711 /nfs/dbraw/zinc/45/67/11/446456711.db2.gz VKHJLALNALUZAC-FRRDWIJNSA-N 2 0 342.281 1.977 20 0 EDADRP COc1ccc(OC)c(CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420314101 446478144 /nfs/dbraw/zinc/47/81/44/446478144.db2.gz YSQAZGHIJKKCBK-MRXNPFEDSA-N 2 0 333.476 1.821 20 0 EDADRP C[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)[C@H](c1ccccc1)[NH+](C)C ZINC000418189389 446453501 /nfs/dbraw/zinc/45/35/01/446453501.db2.gz VKZWMQGXQPSGGC-USXIJHARSA-N 2 0 334.464 1.437 20 0 EDADRP C[NH2+]CCCNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418281332 446483281 /nfs/dbraw/zinc/48/32/81/446483281.db2.gz USZONURNTFEITL-UHFFFAOYSA-N 2 0 347.507 1.055 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000423323523 446487543 /nfs/dbraw/zinc/48/75/43/446487543.db2.gz HZWRGDAIBPDERL-HNNXBMFYSA-N 2 0 336.484 1.401 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000423330077 446491205 /nfs/dbraw/zinc/49/12/05/446491205.db2.gz LWBDTOZSWNJZOQ-YOEHRIQHSA-N 2 0 347.459 1.568 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418308475 446494121 /nfs/dbraw/zinc/49/41/21/446494121.db2.gz BSVJNLYFAXHOEG-UHFFFAOYSA-N 2 0 339.528 1.363 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000420327745 446494680 /nfs/dbraw/zinc/49/46/80/446494680.db2.gz YZJDPSKVWFCWON-SJORKVTESA-N 2 0 336.524 1.441 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327932 446495315 /nfs/dbraw/zinc/49/53/15/446495315.db2.gz LTLMCKQLAHTFHD-JKSUJKDBSA-N 2 0 349.450 1.642 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332499 446503598 /nfs/dbraw/zinc/50/35/98/446503598.db2.gz SOFBUSACROJFTF-MSOLQXFVSA-N 2 0 345.491 1.830 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COCC(F)(F)F)CC1 ZINC000432779935 446504162 /nfs/dbraw/zinc/50/41/62/446504162.db2.gz ITQBDJXZRZZMIF-CQSZACIVSA-N 2 0 326.403 1.980 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418334713 446506119 /nfs/dbraw/zinc/50/61/19/446506119.db2.gz XZPWLUAFRXPAJI-MRXNPFEDSA-N 2 0 347.507 1.933 20 0 EDADRP CCOCCN1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1CC ZINC000423374657 446506680 /nfs/dbraw/zinc/50/66/80/446506680.db2.gz CPYFDENKKQRJOK-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP CN(C)C(=O)[C@@H](c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338291 446508704 /nfs/dbraw/zinc/50/87/04/446508704.db2.gz XSCWLOVKGSPANT-KURKYZTESA-N 2 0 331.460 1.644 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCCCCn2nnc(-c3ccccc3)n2)CCCO1 ZINC000420384244 446559302 /nfs/dbraw/zinc/55/93/02/446559302.db2.gz GHGBWNZLVPQVKM-QGZVFWFLSA-N 2 0 344.463 1.560 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](N3CCOCC3)C[C@@H]2C)cc1 ZINC000418485351 446560816 /nfs/dbraw/zinc/56/08/16/446560816.db2.gz HATCBGCUEGYRLC-MPGHIAIKSA-N 2 0 346.475 1.711 20 0 EDADRP COC(=O)c1ccccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420388678 446562725 /nfs/dbraw/zinc/56/27/25/446562725.db2.gz MEVSWSQBXLHNMT-SJORKVTESA-N 2 0 330.428 1.674 20 0 EDADRP C[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344198 446517255 /nfs/dbraw/zinc/51/72/55/446517255.db2.gz SRVCJCJHUPTGJF-CAOSSQGBSA-N 2 0 336.480 1.322 20 0 EDADRP C[C@H](C(=O)N(C)Cc1cccc(F)c1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346757 446521298 /nfs/dbraw/zinc/52/12/98/446521298.db2.gz DNIZRZYNXDNHSS-CRAIPNDOSA-N 2 0 348.466 1.152 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000420354704 446533115 /nfs/dbraw/zinc/53/31/15/446533115.db2.gz BIHRFRBFTKDLDA-IIHSZXCVSA-N 2 0 332.492 1.382 20 0 EDADRP C[C@@H](c1cccc(F)c1)N1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000420359034 446540026 /nfs/dbraw/zinc/54/00/26/446540026.db2.gz KCAZEMXHFAHCJH-INIZCTEOSA-N 2 0 348.466 1.326 20 0 EDADRP C[C@@H]1Oc2ccc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)cc2NC1=O ZINC000433167265 446540393 /nfs/dbraw/zinc/54/03/93/446540393.db2.gz MRENWXZOVFWSIZ-LBPRGKRZSA-N 2 0 346.431 1.548 20 0 EDADRP CC(C)(C)[C@@H](C[NH3+])NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420363833 446543751 /nfs/dbraw/zinc/54/37/51/446543751.db2.gz OFIZMKWNNIZBSU-GOSISDBHSA-N 2 0 346.519 1.862 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420367317 446546534 /nfs/dbraw/zinc/54/65/34/446546534.db2.gz VJQGTUUBAXZIKB-UONOGXRCSA-N 2 0 325.478 1.717 20 0 EDADRP CCOc1ccc(OCC[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000420369736 446547901 /nfs/dbraw/zinc/54/79/01/446547901.db2.gz CAAIXKWUWSHSKF-INIZCTEOSA-N 2 0 345.447 1.851 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423475248 446550034 /nfs/dbraw/zinc/55/00/34/446550034.db2.gz ZVLMPNAMSOWJEW-YDHLFZDLSA-N 2 0 325.478 1.763 20 0 EDADRP COC1([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)CCOCC1 ZINC000453231961 446551513 /nfs/dbraw/zinc/55/15/13/446551513.db2.gz QSPRTPPVWPAVTM-HNNXBMFYSA-N 2 0 337.464 1.696 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418604696 446611027 /nfs/dbraw/zinc/61/10/27/446611027.db2.gz YALSUTSGXGXPBH-BRWVUGGUSA-N 3 0 339.528 1.042 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000418610931 446614200 /nfs/dbraw/zinc/61/42/00/446614200.db2.gz ARECDHFOENZJJN-OAHLLOKOSA-N 2 0 333.480 1.937 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000411579482 446614850 /nfs/dbraw/zinc/61/48/50/446614850.db2.gz UTIBWWPJNHVDSL-HZPDHXFCSA-N 2 0 325.522 1.804 20 0 EDADRP COCC[NH2+]CCNC(=O)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418503745 446570630 /nfs/dbraw/zinc/57/06/30/446570630.db2.gz YQSQDNZLNRMUDM-SFHVURJKSA-N 2 0 348.491 1.386 20 0 EDADRP CCc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000420397879 446571955 /nfs/dbraw/zinc/57/19/55/446571955.db2.gz GAIANKGXSNJGEB-RBUKOAKNSA-N 2 0 342.487 1.969 20 0 EDADRP CC(C)CCOCC[N@@H+]1CC[C@@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000420400508 446572729 /nfs/dbraw/zinc/57/27/29/446572729.db2.gz JSRAYSDJXKQLQS-DLBZAZTESA-N 2 0 338.496 1.269 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418621875 446618541 /nfs/dbraw/zinc/61/85/41/446618541.db2.gz UJXYJXBEVXZJNI-OAGGEKHMSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN[C@H](CO)c2ccc(F)cc2)CC1 ZINC000411506899 446575615 /nfs/dbraw/zinc/57/56/15/446575615.db2.gz PONXNKKWFPAUFF-QGZVFWFLSA-N 2 0 337.439 1.438 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418520862 446578185 /nfs/dbraw/zinc/57/81/85/446578185.db2.gz HYYVECXLCLNHFY-GUDVDZBRSA-N 2 0 342.487 1.759 20 0 EDADRP O=C(N1C[C@H]2C[NH2+]C[C@H]2C1)[C@@]12CCC[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000423613632 446606062 /nfs/dbraw/zinc/60/60/62/446606062.db2.gz VSMQLXYYNSWWNU-RCLSDMTESA-N 2 0 339.483 1.967 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000418592358 446606562 /nfs/dbraw/zinc/60/65/62/446606562.db2.gz CXYUIUAOIGALAW-AETAKHFUSA-N 2 0 348.466 1.959 20 0 EDADRP CC[NH+](CC)CCN(CCOC)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000367920943 446608382 /nfs/dbraw/zinc/60/83/82/446608382.db2.gz MKUPHLYGTYXVAD-QZTJIDSGSA-N 2 0 326.529 1.750 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000418665035 446639941 /nfs/dbraw/zinc/63/99/41/446639941.db2.gz DLMTYTDSLXTMHP-ZWKOTPCHSA-N 2 0 348.491 1.613 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101781 446641542 /nfs/dbraw/zinc/64/15/42/446641542.db2.gz LKMCJONWXMXFNU-JSGCOSHPSA-N 2 0 348.472 1.868 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](CCC[NH3+])c2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000418666712 446641806 /nfs/dbraw/zinc/64/18/06/446641806.db2.gz GLAOSSXMNKKWQK-SOLBZPMBSA-N 2 0 348.491 1.563 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)c1ccc(F)cc1 ZINC000375218267 446650112 /nfs/dbraw/zinc/65/01/12/446650112.db2.gz KTFULNJYGIKENR-KRWDZBQOSA-N 2 0 334.439 1.918 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@@H]1c1ccccc1 ZINC000375225431 446654117 /nfs/dbraw/zinc/65/41/17/446654117.db2.gz CQUXEHNTXTXSTE-MSOLQXFVSA-N 2 0 328.460 1.921 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418757600 446677518 /nfs/dbraw/zinc/67/75/18/446677518.db2.gz HRAICSZNQTYCAO-SFHVURJKSA-N 2 0 347.507 1.183 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418746224 446666364 /nfs/dbraw/zinc/66/63/64/446666364.db2.gz HTDSONJPRBISQA-INIZCTEOSA-N 2 0 333.480 1.687 20 0 EDADRP COc1ccc(C[N@H+]2CCCN(C(=O)C[C@H](C[NH3+])OC)CC2)cc1 ZINC000423735028 446668130 /nfs/dbraw/zinc/66/81/30/446668130.db2.gz RDXYCUUTGRUYKY-QGZVFWFLSA-N 2 0 335.448 1.093 20 0 EDADRP [NH3+]C1(CNC(=O)NCCNc2cc[nH+]cc2)C2CC3CC(C2)CC1C3 ZINC000418758777 446677620 /nfs/dbraw/zinc/67/76/20/446677620.db2.gz FVGCMSLGAWLTRR-UHFFFAOYSA-N 2 0 343.475 1.368 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)[NH2+]C ZINC000418632673 446623677 /nfs/dbraw/zinc/62/36/77/446623677.db2.gz WCWJKDKHXYFERJ-NVXWUHKLSA-N 2 0 333.480 1.685 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)CC1 ZINC000411632580 446628879 /nfs/dbraw/zinc/62/88/79/446628879.db2.gz QKIKDUAXOAWJOO-QRQLOZEOSA-N 2 0 349.519 1.913 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418645794 446629692 /nfs/dbraw/zinc/62/96/92/446629692.db2.gz WIFZLCBTQWGWMI-FUHWJXTLSA-N 2 0 330.476 1.999 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)C1CCC(C(F)(F)F)CC1 ZINC000420454450 446631271 /nfs/dbraw/zinc/63/12/71/446631271.db2.gz LHZQBOKFVUJFDT-UHFFFAOYSA-N 2 0 345.431 1.437 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000418647511 446631586 /nfs/dbraw/zinc/63/15/86/446631586.db2.gz GRCHFWWFZGVEMF-SJLPKXTDSA-N 2 0 348.491 1.395 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000368089551 446633450 /nfs/dbraw/zinc/63/34/50/446633450.db2.gz IMMREYHYLMPYBV-UHFFFAOYSA-N 2 0 337.464 1.006 20 0 EDADRP OC(C[NH+]1CC[C@]2(C1)CCCOC2)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375274354 446686675 /nfs/dbraw/zinc/68/66/75/446686675.db2.gz ACEZKNNEWMZDSS-OALUTQOASA-N 2 0 338.492 1.352 20 0 EDADRP CCn1cc(CN2CCCN(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)CC2)cn1 ZINC000418778647 446696982 /nfs/dbraw/zinc/69/69/82/446696982.db2.gz AOMJOCRDMCCKIQ-NVXWUHKLSA-N 2 0 348.495 1.248 20 0 EDADRP C[C@@]1(CNC(=O)C(=O)NCCCC[NH3+])CCC[N@@H+]1Cc1ccccc1 ZINC000418810975 446715978 /nfs/dbraw/zinc/71/59/78/446715978.db2.gz HQMZEDMOCFYVDX-IBGZPJMESA-N 2 0 346.475 1.012 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833629 446721485 /nfs/dbraw/zinc/72/14/85/446721485.db2.gz TXWIBUVWWIHMOZ-FGTMMUONSA-N 2 0 345.443 1.078 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000454086529 446772324 /nfs/dbraw/zinc/77/23/24/446772324.db2.gz GEQFHUXWTAGMPF-KRWDZBQOSA-N 2 0 346.475 1.628 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCCC[NH2+]1 ZINC000423924972 446774863 /nfs/dbraw/zinc/77/48/63/446774863.db2.gz APRQBACOVRPIHG-YQQAZPJKSA-N 2 0 333.480 1.404 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)c1 ZINC000368363936 446813561 /nfs/dbraw/zinc/81/35/61/446813561.db2.gz WMVZRGZYIVVAKA-AYHJJNSGSA-N 2 0 343.471 1.569 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)CCO1 ZINC000420917416 446888213 /nfs/dbraw/zinc/88/82/13/446888213.db2.gz RLSFZMWGIFLERK-NVXWUHKLSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000412188274 446890167 /nfs/dbraw/zinc/89/01/67/446890167.db2.gz VWXIXFKBIAEELD-KBRIMQKVSA-N 2 0 337.533 1.803 20 0 EDADRP C[C@@H]1C[C@H](CO)C[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420928588 446899005 /nfs/dbraw/zinc/89/90/05/446899005.db2.gz ARPYIZFVHNOCLT-SOLBZPMBSA-N 2 0 333.476 1.356 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000419083923 446913063 /nfs/dbraw/zinc/91/30/63/446913063.db2.gz XQINBLMHBJKEQK-IRXDYDNUSA-N 2 0 346.475 1.183 20 0 EDADRP CO[C@H](CC(C)C)C[NH+]1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000419199662 447006953 /nfs/dbraw/zinc/00/69/53/447006953.db2.gz FANSRCRSVDCFSN-RTBURBONSA-N 2 0 341.540 1.774 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000368617365 446983919 /nfs/dbraw/zinc/98/39/19/446983919.db2.gz GSKAYBMGAZDCSJ-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000419166601 446983972 /nfs/dbraw/zinc/98/39/72/446983972.db2.gz HOLSOEBSYKTQQC-HOTGVXAUSA-N 2 0 340.512 1.055 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CCO)CC1)c1ccccc1 ZINC000421019709 446989644 /nfs/dbraw/zinc/98/96/44/446989644.db2.gz QDRBLHXPFBDJJM-MJGOQNOKSA-N 2 0 347.503 1.890 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000419408452 447158567 /nfs/dbraw/zinc/15/85/67/447158567.db2.gz LPDONWSHFMFKKM-HUUCEWRRSA-N 2 0 338.496 1.143 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419437506 447176217 /nfs/dbraw/zinc/17/62/17/447176217.db2.gz GEOHVACYBWVGRC-IRXDYDNUSA-N 2 0 342.528 1.595 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000425482005 447186228 /nfs/dbraw/zinc/18/62/28/447186228.db2.gz SIKTZLFTJGZMBA-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000419483018 447214194 /nfs/dbraw/zinc/21/41/94/447214194.db2.gz RCFHJIPXLGWKSY-HOTGVXAUSA-N 2 0 340.512 1.104 20 0 EDADRP C[C@@H](NC(=O)C(=O)NCC1([NH3+])CCCCCC1)C(C)(C)C[NH+](C)C ZINC000419540387 447251397 /nfs/dbraw/zinc/25/13/97/447251397.db2.gz HKWQXRLKMJQNNZ-CQSZACIVSA-N 2 0 340.512 1.247 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000372677169 447218463 /nfs/dbraw/zinc/21/84/63/447218463.db2.gz XOOUFJQKIHAOAF-INIZCTEOSA-N 2 0 345.553 1.534 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C[NH+]1CCCCC1 ZINC000369046243 447284204 /nfs/dbraw/zinc/28/42/04/447284204.db2.gz FDKKZRIRRFMRQN-BRWVUGGUSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CC(=O)N(C)C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414294420 447287851 /nfs/dbraw/zinc/28/78/51/447287851.db2.gz CEZMPUPYXOZDPM-MRXNPFEDSA-N 2 0 333.476 1.470 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCc3cccnc3CC2)C1 ZINC000421826152 447261023 /nfs/dbraw/zinc/26/10/23/447261023.db2.gz REPGFMMXDKFDEU-IRXDYDNUSA-N 2 0 330.476 1.506 20 0 EDADRP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000421891337 447268968 /nfs/dbraw/zinc/26/89/68/447268968.db2.gz YTQPOHJPZLHFCP-LRVUVFPRSA-N 2 0 325.478 1.857 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC(C)(C)[NH3+])c2C1 ZINC000415464515 447455585 /nfs/dbraw/zinc/45/55/85/447455585.db2.gz CWTOMTARZSIEDH-CYBMUJFWSA-N 2 0 346.475 1.839 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415470696 447461592 /nfs/dbraw/zinc/46/15/92/447461592.db2.gz OQKXXNQSZSADKJ-UHFFFAOYSA-N 2 0 332.448 1.117 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC[NH+](C2CC2)C1 ZINC000495185498 447480257 /nfs/dbraw/zinc/48/02/57/447480257.db2.gz UBFXVZYYCZEOAI-GJZGRUSLSA-N 2 0 336.480 1.118 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN(C)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000388919360 447481735 /nfs/dbraw/zinc/48/17/35/447481735.db2.gz VJEQZFPKHJHVQF-VQTJNVASSA-N 2 0 349.519 1.522 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390884372 447504314 /nfs/dbraw/zinc/50/43/14/447504314.db2.gz VDODGLIGALKYCA-ICSRJNTNSA-N 3 0 346.519 1.161 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390913419 447505846 /nfs/dbraw/zinc/50/58/46/447505846.db2.gz ZUYQACTZUYTZIM-NEWSRXKRSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC[NH2+]CC1 ZINC000390926558 447506648 /nfs/dbraw/zinc/50/66/48/447506648.db2.gz JFDUJBRBEZBSLR-GOSISDBHSA-N 2 0 331.460 1.393 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000390925374 447506872 /nfs/dbraw/zinc/50/68/72/447506872.db2.gz JEFWZXWZEGGOSZ-QRVBRYPASA-N 2 0 345.487 1.911 20 0 EDADRP C[C@@H]1CN(CCO)CCN1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000457439794 447582112 /nfs/dbraw/zinc/58/21/12/447582112.db2.gz BJVIQJIODLSCHQ-KGLIPLIRSA-N 2 0 340.493 1.059 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)cc1 ZINC000457529212 447588182 /nfs/dbraw/zinc/58/81/82/447588182.db2.gz MDZOIYSGNAZVBA-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427148627 447552674 /nfs/dbraw/zinc/55/26/74/447552674.db2.gz YPBQBGZMNIZZLR-KURKYZTESA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C[C@H](C)[N@H+]1CCO ZINC000457395901 447572253 /nfs/dbraw/zinc/57/22/53/447572253.db2.gz UGKYURPJFOHZDJ-OKILXGFUSA-N 2 0 340.512 1.392 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000427491248 447608554 /nfs/dbraw/zinc/60/85/54/447608554.db2.gz UISDIUDTHZZHFR-QGZVFWFLSA-N 2 0 347.507 1.439 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459264393 447625513 /nfs/dbraw/zinc/62/55/13/447625513.db2.gz MYQUDWRUIOQKLP-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCCCC[NH3+])[NH+]1CCCC1 ZINC000416832639 447693003 /nfs/dbraw/zinc/69/30/03/447693003.db2.gz IPFPCRAGQLZWPR-INIZCTEOSA-N 2 0 334.464 1.870 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](C)C[C@H]2C(N)=O)CC1 ZINC000428459552 447703792 /nfs/dbraw/zinc/70/37/92/447703792.db2.gz MMJDXLSCOMUCNN-LPHOPBHVSA-N 2 0 344.503 1.914 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000416759191 447684985 /nfs/dbraw/zinc/68/49/85/447684985.db2.gz MIWKGTPQUDGTTQ-LSDHHAIUSA-N 2 0 334.464 1.667 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422833932 447763383 /nfs/dbraw/zinc/76/33/83/447763383.db2.gz ZESWQGJRAOFXJM-RBUKOAKNSA-N 2 0 333.476 1.484 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N(C)[C@H]2CCC[NH2+]CC2)C[C@@H](C)O1 ZINC000416941880 447718425 /nfs/dbraw/zinc/71/84/25/447718425.db2.gz KPWWUCYXBNWIED-OAGGEKHMSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000416943642 447719737 /nfs/dbraw/zinc/71/97/37/447719737.db2.gz MACCFXXXSWNIHM-BFYDXBDKSA-N 2 0 334.464 1.485 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C(=O)NC)c2)CC[NH2+]CC1 ZINC000422702317 447720242 /nfs/dbraw/zinc/72/02/42/447720242.db2.gz KJYYZMFMHOSPMG-AWEZNQCLSA-N 2 0 347.459 1.457 20 0 EDADRP C[C@H]([NH2+]C1CCC([NH3+])CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707172 447721248 /nfs/dbraw/zinc/72/12/48/447721248.db2.gz VVOQSFITYKEYBA-GRTSSRMGSA-N 2 0 325.478 1.857 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)CC[NH2+]CC1 ZINC000422710593 447723098 /nfs/dbraw/zinc/72/30/98/447723098.db2.gz FBTDECKRPUECMS-HNNXBMFYSA-N 3 0 337.508 1.772 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@H](C)C3)cc2)CC1 ZINC000429138195 447729832 /nfs/dbraw/zinc/72/98/32/447729832.db2.gz DXLDCZVOGABIJO-QAPCUYQASA-N 2 0 330.476 1.638 20 0 EDADRP CC(C)CN1CCO[C@H](C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422766274 447744146 /nfs/dbraw/zinc/74/41/46/447744146.db2.gz LSASWJJMCVYGHS-BRSBDYLESA-N 2 0 325.497 1.090 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(N)=O)cc2)CC[NH2+]CC1 ZINC000422771672 447746035 /nfs/dbraw/zinc/74/60/35/447746035.db2.gz XRLYDRHNDPEITO-CYBMUJFWSA-N 2 0 333.432 1.197 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(N(C)C)CCCC2)CC[NH2+]CC1 ZINC000422777318 447748108 /nfs/dbraw/zinc/74/81/08/447748108.db2.gz CBXKBKPIIXYXCO-OAHLLOKOSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422803010 447754637 /nfs/dbraw/zinc/75/46/37/447754637.db2.gz CGBRVQLLDNBPIG-LPHOPBHVSA-N 2 0 334.483 1.925 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000422925193 447773827 /nfs/dbraw/zinc/77/38/27/447773827.db2.gz AQBKGXQVGVDEPI-NVXWUHKLSA-N 2 0 337.489 1.688 20 0 EDADRP Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430566652 447780695 /nfs/dbraw/zinc/78/06/95/447780695.db2.gz HOWRPVMMCXBXPT-INIZCTEOSA-N 2 0 333.476 1.830 20 0 EDADRP Cc1ccccc1C[C@H](C)NC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430595446 447782728 /nfs/dbraw/zinc/78/27/28/447782728.db2.gz XXDMKEBUBFZVGT-KRWDZBQOSA-N 2 0 347.503 1.872 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000430803411 447786979 /nfs/dbraw/zinc/78/69/79/447786979.db2.gz UAGPZFVNCRWJEL-APWZRJJASA-N 2 0 327.472 1.891 20 0 EDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000422980966 447787120 /nfs/dbraw/zinc/78/71/20/447787120.db2.gz RNMSHCFAMPERQH-RDVQEIBISA-N 2 0 331.504 1.977 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H](CO)c1cccc(Br)c1 ZINC000422986555 447788271 /nfs/dbraw/zinc/78/82/71/447788271.db2.gz CSLLYQOXGLPJQH-KBPBESRZSA-N 2 0 331.254 1.826 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@@H](O)Cc2ccccc2)CC[NH2+]CC1 ZINC000422995531 447789116 /nfs/dbraw/zinc/78/91/16/447789116.db2.gz KILAKJDPVUWIRX-RYRKJORJSA-N 2 0 348.487 1.890 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])C2=O)c(OC)c1 ZINC000423105322 447806123 /nfs/dbraw/zinc/80/61/23/447806123.db2.gz IDDTVEJIZJLPBL-IOASZLSFSA-N 2 0 335.448 1.520 20 0 EDADRP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423113947 447807428 /nfs/dbraw/zinc/80/74/28/447807428.db2.gz VALLVYCLUMXYHP-KKGYMGPXSA-N 3 0 336.524 1.580 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000487580476 447834284 /nfs/dbraw/zinc/83/42/84/447834284.db2.gz ZFKIKDHNQGBAKQ-SJORKVTESA-N 2 0 340.512 1.395 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CN(C)C3)CCN1C ZINC000488611898 447849288 /nfs/dbraw/zinc/84/92/88/447849288.db2.gz RVKQXXAZWVPZQL-QGZVFWFLSA-N 2 0 344.459 1.369 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)C1 ZINC000489165891 447852483 /nfs/dbraw/zinc/85/24/83/447852483.db2.gz FODVHTZWZINZGU-WCXIOVBPSA-N 2 0 338.496 1.079 20 0 EDADRP C[C@H](CC[NH+](C)C)[NH2+]C[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000496559548 447819530 /nfs/dbraw/zinc/81/95/30/447819530.db2.gz QXWJPBFVKQOVQC-ZBFHGGJFSA-N 2 0 343.512 1.924 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+]1CCCC1 ZINC000523353913 447881952 /nfs/dbraw/zinc/88/19/52/447881952.db2.gz HETIRKRAIPYWFJ-FUHWJXTLSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C)C[C@H]2C[NH3+])C1 ZINC000569947975 447926214 /nfs/dbraw/zinc/92/62/14/447926214.db2.gz QKDZJFUBSIRCJC-BZUAXINKSA-N 2 0 339.528 1.027 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000524371909 447927622 /nfs/dbraw/zinc/92/76/22/447927622.db2.gz WLJIYRLJYIPUKH-HKUYNNGSSA-N 2 0 331.460 1.176 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000524366412 447927782 /nfs/dbraw/zinc/92/77/82/447927782.db2.gz ZYGADJNFXIWXBL-MSOLQXFVSA-N 2 0 330.476 1.186 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000524436040 447930918 /nfs/dbraw/zinc/93/09/18/447930918.db2.gz IAFBQHKSYPFSHR-SFHVURJKSA-N 2 0 330.476 1.002 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1ccccc1 ZINC000576157876 447986457 /nfs/dbraw/zinc/98/64/57/447986457.db2.gz UOULGUYCKBYWBH-WBVHZDCISA-N 2 0 342.447 1.063 20 0 EDADRP COCc1ccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000525419679 447999514 /nfs/dbraw/zinc/99/95/14/447999514.db2.gz WGSLHPCCXKDEMM-UHFFFAOYSA-N 2 0 336.480 1.468 20 0 EDADRP CC1(C)C[N@H+](Cc2cncc(C[NH+]3C[C@@H](O)C(C)(C)C3)c2)C[C@@H]1O ZINC000576227700 448004639 /nfs/dbraw/zinc/00/46/39/448004639.db2.gz YSHRYFCFBRJQQU-CALCHBBNSA-N 2 0 333.476 1.487 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000570721750 448054604 /nfs/dbraw/zinc/05/46/04/448054604.db2.gz CGDVIKPVXPEBDG-OFQRWUPVSA-N 2 0 337.439 1.456 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000576569194 448084685 /nfs/dbraw/zinc/08/46/85/448084685.db2.gz WDNICNCPGGBNCG-DOTOQJQBSA-N 2 0 346.475 1.054 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]CCCC[NH+]2CCN(C)CC2)nc1 ZINC000556049971 448102622 /nfs/dbraw/zinc/10/26/22/448102622.db2.gz VORLIHIKHCJWDB-UHFFFAOYSA-N 2 0 333.480 1.336 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000570799112 448067491 /nfs/dbraw/zinc/06/74/91/448067491.db2.gz NZEIMGSZHHWDFO-QGZVFWFLSA-N 2 0 334.464 1.398 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000570799111 448067523 /nfs/dbraw/zinc/06/75/23/448067523.db2.gz NZEIMGSZHHWDFO-KRWDZBQOSA-N 2 0 334.464 1.398 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000526975132 448128590 /nfs/dbraw/zinc/12/85/90/448128590.db2.gz JMKVSFLJPWQTQY-AWEZNQCLSA-N 2 0 347.463 1.405 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC1 ZINC000577062844 448203382 /nfs/dbraw/zinc/20/33/82/448203382.db2.gz RXQQEDZPCVDNFK-GJZGRUSLSA-N 2 0 340.512 1.103 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@@H]1CC ZINC000514788931 448203593 /nfs/dbraw/zinc/20/35/93/448203593.db2.gz APDDGDRYQIGLIA-PKOBYXMFSA-N 2 0 345.487 1.833 20 0 EDADRP CSC1(C[NH2+]C[C@H](O)COc2ccc(F)cc2)CC[NH+](C)CC1 ZINC000571790833 448207538 /nfs/dbraw/zinc/20/75/38/448207538.db2.gz DHFOJSDFWKDNDE-HNNXBMFYSA-N 2 0 342.480 1.982 20 0 EDADRP C[NH2+][C@@H](C)C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000577123305 448215174 /nfs/dbraw/zinc/21/51/74/448215174.db2.gz HQYHNDYEAXCUSS-INIZCTEOSA-N 2 0 333.476 1.782 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC(n2c3ccccc3[nH]c2=O)CC1 ZINC000571856919 448217323 /nfs/dbraw/zinc/21/73/23/448217323.db2.gz QKQFHLTZWNXAPS-HNNXBMFYSA-N 2 0 332.448 1.691 20 0 EDADRP C[C@@H]1CC[N@H+](Cc2cncc(C[NH+]3CC[C@H](C)[C@H]3CO)c2)[C@@H]1CO ZINC000514912062 448222185 /nfs/dbraw/zinc/22/21/85/448222185.db2.gz HBGSSRZBPQBFHA-WTLGNFPFSA-N 2 0 333.476 1.487 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000532348306 448241409 /nfs/dbraw/zinc/24/14/09/448241409.db2.gz MKCBHBOELUYAOD-AEFFLSMTSA-N 2 0 349.523 1.033 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000577264958 448249578 /nfs/dbraw/zinc/24/95/78/448249578.db2.gz IRPLMGAEJZDFMS-ROUUACIJSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOCc2ccc(Cl)cc2)CC1 ZINC000582541454 448267303 /nfs/dbraw/zinc/26/73/03/448267303.db2.gz BRCYJHOHOWBIHE-QGZVFWFLSA-N 2 0 341.883 1.055 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000577369386 448277635 /nfs/dbraw/zinc/27/76/35/448277635.db2.gz BCXKGQKVHJUCKF-GJZGRUSLSA-N 2 0 325.840 1.437 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2(C)C[NH2+]C2)CC1 ZINC000582603708 448286561 /nfs/dbraw/zinc/28/65/61/448286561.db2.gz OGFDLLSUWIRUHO-CQSZACIVSA-N 2 0 348.466 1.754 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCNc1cnccn1 ZINC000564824575 448340898 /nfs/dbraw/zinc/34/08/98/448340898.db2.gz KDSQFZVJBCALKX-YJBOKZPZSA-N 2 0 325.416 1.734 20 0 EDADRP CC[NH2+]CCC[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000572392080 448367699 /nfs/dbraw/zinc/36/76/99/448367699.db2.gz IZXSWSGIKUXRAC-UHFFFAOYSA-N 2 0 339.505 1.737 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3cn(CCC[NH3+])nn3)C2)CC1 ZINC000572398834 448368855 /nfs/dbraw/zinc/36/88/55/448368855.db2.gz FTURIQUNIXJSEN-MRXNPFEDSA-N 2 0 348.495 1.211 20 0 EDADRP CCOc1cc(C[NH2+]CCCN2CC[NH+](C)CC2)c(F)cc1OC ZINC000527630897 448328549 /nfs/dbraw/zinc/32/85/49/448328549.db2.gz BSFUFOBDOUMEFU-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000591553357 448387992 /nfs/dbraw/zinc/38/79/92/448387992.db2.gz AIHXPKOBSHVRAI-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000591571566 448392960 /nfs/dbraw/zinc/39/29/60/448392960.db2.gz PRGCJBATSONFEI-KRWDZBQOSA-N 2 0 348.491 1.563 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577831575 448395390 /nfs/dbraw/zinc/39/53/90/448395390.db2.gz CMVDDJMOAAPMOP-SOLBZPMBSA-N 2 0 330.476 1.806 20 0 EDADRP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000527952856 448396242 /nfs/dbraw/zinc/39/62/42/448396242.db2.gz VGLFPVGXFLNFMY-IBGZPJMESA-N 2 0 339.524 1.455 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000578010985 448439320 /nfs/dbraw/zinc/43/93/20/448439320.db2.gz KMDLTOJUENXBTK-HZPDHXFCSA-N 2 0 326.529 1.400 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578068194 448453833 /nfs/dbraw/zinc/45/38/33/448453833.db2.gz SGOGTSUQPGXWHT-NUJGCVRESA-N 2 0 335.492 1.478 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)CCN(C)c3cc[nH+]cc3)[C@H]2C1 ZINC000572791595 448465230 /nfs/dbraw/zinc/46/52/30/448465230.db2.gz LMJGGVQUQNKZPF-DLBZAZTESA-N 2 0 332.448 1.230 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000572847799 448479428 /nfs/dbraw/zinc/47/94/28/448479428.db2.gz RSVKPXTULJBCSA-SOLBZPMBSA-N 3 0 327.513 1.168 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCCC[NH2+]C3CC3)cc2)CC1 ZINC000584353533 448496268 /nfs/dbraw/zinc/49/62/68/448496268.db2.gz CJURZEVLYHVEMO-UHFFFAOYSA-N 2 0 330.476 1.700 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000517244966 448562450 /nfs/dbraw/zinc/56/24/50/448562450.db2.gz NDAINKRIYJBAEH-AWEZNQCLSA-N 2 0 342.447 1.052 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)CC2(O)CCC2)[C@@H](C)C1 ZINC000528455233 448536254 /nfs/dbraw/zinc/53/62/54/448536254.db2.gz DRWACVABHPGFBG-ULQDDVLXSA-N 2 0 328.497 1.379 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000578445667 448548366 /nfs/dbraw/zinc/54/83/66/448548366.db2.gz NHHATWGRKJRETM-BQFCYCMXSA-N 2 0 341.459 1.045 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N(C)CCC[NH+](C)C)CC2)c1 ZINC000537213524 448552729 /nfs/dbraw/zinc/55/27/29/448552729.db2.gz CLHDZTCUNOFWFF-UHFFFAOYSA-N 2 0 346.519 1.917 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000584519366 448554092 /nfs/dbraw/zinc/55/40/92/448554092.db2.gz FBSAFJSGVXKQGT-UHFFFAOYSA-N 2 0 327.472 1.981 20 0 EDADRP CN(CC(=O)Nc1ccc2[nH]c(C(F)(F)F)nc2c1)C1CC([NH3+])C1 ZINC000573328210 448600646 /nfs/dbraw/zinc/60/06/46/448600646.db2.gz DBQAAOAJJYMJHG-UHFFFAOYSA-N 2 0 341.337 1.942 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000573485277 448639205 /nfs/dbraw/zinc/63/92/05/448639205.db2.gz KXUVRNLMDRKUCB-RCCFBDPRSA-N 2 0 328.460 1.362 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000567494280 448702919 /nfs/dbraw/zinc/70/29/19/448702919.db2.gz XHKSIVZYERYMDJ-MJGOQNOKSA-N 2 0 348.487 1.825 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000579225345 448744341 /nfs/dbraw/zinc/74/43/41/448744341.db2.gz AOEOHBHTVOKIKB-HNNXBMFYSA-N 2 0 340.512 1.151 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC000579241971 448752275 /nfs/dbraw/zinc/75/22/75/448752275.db2.gz JTTBXDNAHOCZQO-MRXNPFEDSA-N 2 0 333.476 1.927 20 0 EDADRP CC[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000567822305 448768479 /nfs/dbraw/zinc/76/84/79/448768479.db2.gz JUUZFFPSPXPQIN-OKZBNKHCSA-N 2 0 331.460 1.316 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCCC[NH2+]1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000519646006 448811165 /nfs/dbraw/zinc/81/11/65/448811165.db2.gz GMQTYNZISVAMDX-UHOSZYNNSA-N 2 0 345.487 1.924 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000567861192 448776788 /nfs/dbraw/zinc/77/67/88/448776788.db2.gz PMGHOLXUUZQOGW-SHTZXODSSA-N 2 0 339.505 1.792 20 0 EDADRP COc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c2ccccc12 ZINC000519703285 448823985 /nfs/dbraw/zinc/82/39/85/448823985.db2.gz FCSOCRUEZDFXDC-YOEHRIQHSA-N 2 0 325.412 1.592 20 0 EDADRP c1cnc(N2CCOCC2)c(CNc2nccc(N3CCCC3)n2)c1 ZINC000592455847 448845757 /nfs/dbraw/zinc/84/57/57/448845757.db2.gz XRQZQWVFICSIAW-UHFFFAOYSA-N 2 0 340.431 1.921 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000529362674 448841107 /nfs/dbraw/zinc/84/11/07/448841107.db2.gz YGNMFFGQXYKZRG-USXIJHARSA-N 2 0 332.492 1.929 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NC[C@@H]3CCC[C@@H]([NH3+])C3)c2)CC1 ZINC000519828893 448854672 /nfs/dbraw/zinc/85/46/72/448854672.db2.gz VDWRDFCVJMZWGS-VQIMIIECSA-N 2 0 344.503 1.681 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000579811495 448881997 /nfs/dbraw/zinc/88/19/97/448881997.db2.gz AWZZAGNDTSIFEQ-UHFFFAOYSA-N 2 0 328.460 1.654 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000520588624 448914685 /nfs/dbraw/zinc/91/46/85/448914685.db2.gz UXTWFHLQPHUYOL-UHFFFAOYSA-N 2 0 330.476 1.539 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CCc2[nH]cnc2C1)Cc1ccccc1 ZINC000520676754 448920933 /nfs/dbraw/zinc/92/09/33/448920933.db2.gz XNQALYBLQCLIQE-HZPDHXFCSA-N 2 0 341.459 1.739 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CCCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000574640596 448922544 /nfs/dbraw/zinc/92/25/44/448922544.db2.gz LRFTYXQJRSKHRD-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)c21 ZINC000592540787 448888538 /nfs/dbraw/zinc/88/85/38/448888538.db2.gz NBUZWQXQYNRZGU-ZBFHGGJFSA-N 2 0 331.464 1.323 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000521031186 448948376 /nfs/dbraw/zinc/94/83/76/448948376.db2.gz ULLAHMXEZLPGOE-ROUUACIJSA-N 2 0 335.492 1.269 20 0 EDADRP CN(C)[C@@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804117 448959105 /nfs/dbraw/zinc/95/91/05/448959105.db2.gz XUPNSSNRYSJWIW-YOEHRIQHSA-N 2 0 325.884 1.987 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000521217160 448962640 /nfs/dbraw/zinc/96/26/40/448962640.db2.gz IJBAEZYRYSLLDZ-ZWKOTPCHSA-N 2 0 348.491 1.309 20 0 EDADRP CCOc1ccccc1[C@@H](CC)NC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000569214720 448980625 /nfs/dbraw/zinc/98/06/25/448980625.db2.gz AQZSRXYDGQJCMR-GDBMZVCRSA-N 2 0 334.464 1.821 20 0 EDADRP CC(C)COC[C@H](O)C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000569212735 448981117 /nfs/dbraw/zinc/98/11/17/448981117.db2.gz KVSRAHISNZHDRX-HXUWFJFHSA-N 2 0 349.519 1.557 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000582109842 449012813 /nfs/dbraw/zinc/01/28/13/449012813.db2.gz DNIDMNGDLLYUJT-ROUUACIJSA-N 2 0 345.491 1.795 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000522285959 449073526 /nfs/dbraw/zinc/07/35/26/449073526.db2.gz OLYAHHDPKLKSQY-AWEZNQCLSA-N 2 0 338.496 1.412 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@@H]3C[NH+]3CCCC3)c21 ZINC000592957044 449078686 /nfs/dbraw/zinc/07/86/86/449078686.db2.gz LFSKVDVUIZNLOE-LSDHHAIUSA-N 2 0 331.464 1.420 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)CC1 ZINC000592957815 449080332 /nfs/dbraw/zinc/08/03/32/449080332.db2.gz SJUQGTJVCNASQP-MRXNPFEDSA-N 2 0 347.507 1.913 20 0 EDADRP Cc1cnc(C)nc1NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000582311196 449064610 /nfs/dbraw/zinc/06/46/10/449064610.db2.gz FVUWYMPFCLKRLB-UHFFFAOYSA-N 2 0 339.443 2.093 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[C@H]3CC[C@@H](C2)S3(=O)=O)cc1 ZINC000530235480 449089363 /nfs/dbraw/zinc/08/93/63/449089363.db2.gz YUWDCQRGIQTRIF-OIISXLGYSA-N 2 0 338.473 1.389 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC([NH+]2CCOCC2)CC1 ZINC000600106255 449193375 /nfs/dbraw/zinc/19/33/75/449193375.db2.gz WCPOHBLLYQJSAC-UHFFFAOYSA-N 2 0 343.537 1.385 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc(C(=O)OC)n2C)CC1 ZINC000602003293 449270718 /nfs/dbraw/zinc/27/07/18/449270718.db2.gz TXECHCCCRAEIQB-HNNXBMFYSA-N 2 0 336.480 1.175 20 0 EDADRP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000590752501 449271670 /nfs/dbraw/zinc/27/16/70/449271670.db2.gz XPDYHNVHSZZOFC-IKGGRYGDSA-N 2 0 347.459 1.337 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@@H]3CCC[N@@H+]4CCCC[C@H]34)c21 ZINC000595958611 449282867 /nfs/dbraw/zinc/28/28/67/449282867.db2.gz FQSTYERZMJXACS-NUEKZKHPSA-N 2 0 331.464 1.466 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000602112015 449355235 /nfs/dbraw/zinc/35/52/35/449355235.db2.gz TULKXZKIEFBGQT-INIZCTEOSA-N 2 0 345.491 1.294 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000606360422 449454442 /nfs/dbraw/zinc/45/44/42/449454442.db2.gz PYRUQQHIDKBUSB-KURKYZTESA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606701051 449511377 /nfs/dbraw/zinc/51/13/77/449511377.db2.gz VGUWJGMGCAWLMW-INIZCTEOSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)C1 ZINC000602466236 449612999 /nfs/dbraw/zinc/61/29/99/449612999.db2.gz BHMWGEYGBJHYLT-CMJOXMDJSA-N 2 0 343.537 1.115 20 0 EDADRP CCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000617554775 449685187 /nfs/dbraw/zinc/68/51/87/449685187.db2.gz JMIYKZALOVTVHR-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602515607 449643929 /nfs/dbraw/zinc/64/39/29/449643929.db2.gz QUPRVCQUMVECAP-CYBMUJFWSA-N 2 0 325.478 1.650 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)NC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000601222869 449758731 /nfs/dbraw/zinc/75/87/31/449758731.db2.gz OUIFCQCACZAALP-QGZVFWFLSA-N 2 0 334.464 1.045 20 0 EDADRP O=C(NC1CC[NH+](CCO)CC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000601328938 449836262 /nfs/dbraw/zinc/83/62/62/449836262.db2.gz AOYUXHRWGDNPQN-QGZVFWFLSA-N 2 0 338.496 1.103 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000597191721 449864069 /nfs/dbraw/zinc/86/40/69/449864069.db2.gz GVSZMNRFUCXJMC-ZWKOTPCHSA-N 2 0 348.443 1.581 20 0 EDADRP C[C@]1(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]C1 ZINC000612923210 449941234 /nfs/dbraw/zinc/94/12/34/449941234.db2.gz GZBZHEWKLGJIEB-LESCRADOSA-N 2 0 334.439 1.570 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC23CC[NH2+]CC3)o1 ZINC000612965673 449961809 /nfs/dbraw/zinc/96/18/09/449961809.db2.gz COCKAMFSLQWFDL-INIZCTEOSA-N 2 0 334.464 1.803 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612986018 449971891 /nfs/dbraw/zinc/97/18/91/449971891.db2.gz IINZPTSQYYTMLD-HNNXBMFYSA-N 2 0 336.505 1.963 20 0 EDADRP CC[C@@H](C(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@H]([NH+](C)C)C1)[NH+](C)C ZINC000615231898 450013898 /nfs/dbraw/zinc/01/38/98/450013898.db2.gz VRNQDIGKBQUANS-JYJNAYRXSA-N 2 0 340.512 1.020 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC[NH+](C)CC1 ZINC000597441823 450023062 /nfs/dbraw/zinc/02/30/62/450023062.db2.gz UYCIYBWTMZLJPW-ZDUSSCGKSA-N 2 0 326.510 1.255 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000615309056 450057465 /nfs/dbraw/zinc/05/74/65/450057465.db2.gz PJILHKKDAMHOCQ-SZVBFZGTSA-N 2 0 331.460 1.174 20 0 EDADRP COC(=O)CCN1CC[C@H](N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000595388866 450103049 /nfs/dbraw/zinc/10/30/49/450103049.db2.gz XVJINQQRQNTUJF-XIRDDKMYSA-N 2 0 349.475 1.099 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CCSC1 ZINC000618665860 450268603 /nfs/dbraw/zinc/26/86/03/450268603.db2.gz QJCCVYZTUAVPNI-ZBFHGGJFSA-N 2 0 325.522 1.947 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000618903513 450332576 /nfs/dbraw/zinc/33/25/76/450332576.db2.gz IKHOCBOCMHYIPS-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000620623754 450522127 /nfs/dbraw/zinc/52/21/27/450522127.db2.gz HGFHNEHEBYGVDM-UHFFFAOYSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000627257527 450586105 /nfs/dbraw/zinc/58/61/05/450586105.db2.gz ISVYEMPMKNVQRI-SJORKVTESA-N 2 0 325.497 1.556 20 0 EDADRP CC1([NH+]2CCCC2)CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000631445261 450595397 /nfs/dbraw/zinc/59/53/97/450595397.db2.gz ITXXBRGWVZRATQ-UHFFFAOYSA-N 2 0 327.436 1.699 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000633024946 450619284 /nfs/dbraw/zinc/61/92/84/450619284.db2.gz PXHDKLQIVJBKQA-GDBMZVCRSA-N 2 0 346.475 1.520 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161064 450705947 /nfs/dbraw/zinc/70/59/47/450705947.db2.gz XWOKJEQVDWVLMR-RTBURBONSA-N 2 0 343.471 1.584 20 0 EDADRP O[C@H](C[NH2+]CCc1ccn(-c2ccc(F)cc2)n1)C[NH+]1CCCC1 ZINC000629567137 450739739 /nfs/dbraw/zinc/73/97/39/450739739.db2.gz WPAQVQXLMDRKHH-GOSISDBHSA-N 2 0 332.423 1.600 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CCN1C1CCCCC1)COC1CCOCC1 ZINC000629604312 450759481 /nfs/dbraw/zinc/75/94/81/450759481.db2.gz JLPFRBYSDFSQEQ-DLBZAZTESA-N 2 0 326.481 1.540 20 0 EDADRP CC[C@H](C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000629613455 450762499 /nfs/dbraw/zinc/76/24/99/450762499.db2.gz ARVFBKZSSVMCGJ-QGZVFWFLSA-N 3 0 332.492 1.436 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000629620177 450765168 /nfs/dbraw/zinc/76/51/68/450765168.db2.gz VJIISMFXXLZJER-FUHWJXTLSA-N 2 0 337.895 1.915 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@H]2CN(Cc3ccncc3)CCO2)CC1 ZINC000624266438 450770969 /nfs/dbraw/zinc/77/09/69/450770969.db2.gz NODWVQHNMWZEGR-IBGZPJMESA-N 2 0 332.492 1.746 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000621690398 450834945 /nfs/dbraw/zinc/83/49/45/450834945.db2.gz UDWZHARUIQUTHT-PXNSSMCTSA-N 2 0 342.487 1.782 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000626700000 450857932 /nfs/dbraw/zinc/85/79/32/450857932.db2.gz CBFIKWZRUMFCOV-CYBMUJFWSA-N 2 0 338.456 1.298 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000626851892 450958779 /nfs/dbraw/zinc/95/87/79/450958779.db2.gz XRRKLXMZYWEJCZ-MRXNPFEDSA-N 2 0 344.459 1.396 20 0 EDADRP C[C@@H](NC(=O)C[N@H+](C)CCc1ccccc1)[C@H](C)N1CCOCC1 ZINC000635506273 451000650 /nfs/dbraw/zinc/00/06/50/451000650.db2.gz QRNHOICCZYYRSK-SJORKVTESA-N 2 0 333.476 1.386 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000626918611 451003045 /nfs/dbraw/zinc/00/30/45/451003045.db2.gz FGLYHLKXLAXLHX-QGZVFWFLSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626921801 451004835 /nfs/dbraw/zinc/00/48/35/451004835.db2.gz ITNYBGYLAZIBTG-KRWDZBQOSA-N 2 0 348.491 1.877 20 0 EDADRP [NH3+]CCCOCCNC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939484 451020010 /nfs/dbraw/zinc/02/00/10/451020010.db2.gz GBPKCZXDWYJYEM-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000626946152 451025888 /nfs/dbraw/zinc/02/58/88/451025888.db2.gz MDBYLFQBHPIFEK-NVXWUHKLSA-N 2 0 334.464 1.357 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC2(C[NH3+])CCOCC2)[NH+](C)C)cc1 ZINC000626952300 451030702 /nfs/dbraw/zinc/03/07/02/451030702.db2.gz CMGSSWKUHXITNA-MRXNPFEDSA-N 2 0 334.464 1.405 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000626953622 451030812 /nfs/dbraw/zinc/03/08/12/451030812.db2.gz XQNDPGDWMHDXDR-MRXNPFEDSA-N 2 0 348.491 1.311 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000626952956 451031645 /nfs/dbraw/zinc/03/16/45/451031645.db2.gz JXLLWSCGKNMZEG-RVKKMQEKSA-N 2 0 330.476 1.873 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]1 ZINC000626968808 451041129 /nfs/dbraw/zinc/04/11/29/451041129.db2.gz LIFBOHGBNLOBTG-QRQLOZEOSA-N 2 0 344.503 1.991 20 0 EDADRP CCN(CC[NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000626971207 451042001 /nfs/dbraw/zinc/04/20/01/451042001.db2.gz ALMDENHMWSZOSZ-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626992734 451058954 /nfs/dbraw/zinc/05/89/54/451058954.db2.gz CTMCQXFBRBWLFQ-ZBFHGGJFSA-N 2 0 326.485 1.316 20 0 EDADRP CCO[C@H](C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000624952407 451076369 /nfs/dbraw/zinc/07/63/69/451076369.db2.gz UHBCMQIXNMKIDL-SFHVURJKSA-N 2 0 346.475 1.525 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627016621 451082065 /nfs/dbraw/zinc/08/20/65/451082065.db2.gz OJCLSXLAUCUZAI-ZWKOTPCHSA-N 2 0 346.475 1.185 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)N(C)CCOCC[NH3+])c1ccccc1 ZINC000626978738 451047202 /nfs/dbraw/zinc/04/72/02/451047202.db2.gz WSPOUNHETMYXPZ-OAHLLOKOSA-N 2 0 336.480 1.733 20 0 EDADRP O=C(NC[C@@H]1COCC[NH2+]1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979218 451047297 /nfs/dbraw/zinc/04/72/97/451047297.db2.gz UIWIGHADQOFANS-MSOLQXFVSA-N 2 0 346.475 1.501 20 0 EDADRP CC(C)C[C@@H](C(=O)N1CCC[C@@H]1CN1CCOCC1)n1ccnc1 ZINC000635618011 451107916 /nfs/dbraw/zinc/10/79/16/451107916.db2.gz KARZODCLIWYEKC-SJORKVTESA-N 2 0 334.464 1.794 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccc2ccccc2c1 ZINC000627082812 451115911 /nfs/dbraw/zinc/11/59/11/451115911.db2.gz MDADXBIYXLGMGT-ZWKOTPCHSA-N 2 0 342.443 1.205 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000627114981 451131881 /nfs/dbraw/zinc/13/18/81/451131881.db2.gz NJBCKXSOFWRINQ-ULQDDVLXSA-N 2 0 346.450 1.855 20 0 EDADRP CC(C)C1(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)CC1 ZINC000632232366 451132900 /nfs/dbraw/zinc/13/29/00/451132900.db2.gz YMNSFIBYSJCSCK-UHFFFAOYSA-N 2 0 331.526 1.463 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[C@H]1C(F)(F)F ZINC000627119532 451134810 /nfs/dbraw/zinc/13/48/10/451134810.db2.gz PTDOQGLGGOAMSQ-IJLUTSLNSA-N 2 0 334.386 1.297 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000627175633 451165765 /nfs/dbraw/zinc/16/57/65/451165765.db2.gz YSEZPBUPMJTATN-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)CC(C)(C)C ZINC000635704382 451184814 /nfs/dbraw/zinc/18/48/14/451184814.db2.gz HTUKEMWVYWJNMW-IAGOWNOFSA-N 2 0 339.524 1.848 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2ccc(N3CC[C@H]([NH+](C)C)C3)cn2)CC1 ZINC000635719749 451196884 /nfs/dbraw/zinc/19/68/84/451196884.db2.gz NOYKVXWTSXEJKY-HNNXBMFYSA-N 2 0 331.464 1.502 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000635782909 451236245 /nfs/dbraw/zinc/23/62/45/451236245.db2.gz NZUFSZBBGBTRQC-SFHVURJKSA-N 2 0 337.508 1.679 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000638083361 451246220 /nfs/dbraw/zinc/24/62/20/451246220.db2.gz IZHOLMTZGSSPFQ-GOSISDBHSA-N 2 0 327.472 1.962 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638086928 451251764 /nfs/dbraw/zinc/25/17/64/451251764.db2.gz XPFUVWBRZJHJML-MOPGFXCFSA-N 2 0 346.519 1.682 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000638117353 451285164 /nfs/dbraw/zinc/28/51/64/451285164.db2.gz TWJDNDCTOMSQRO-FUHWJXTLSA-N 2 0 333.476 1.946 20 0 EDADRP Cc1cc(NC(=O)[C@]2(C)C[NH2+]CCO2)ccc1OCC[NH+]1CCCC1 ZINC000638119260 451288694 /nfs/dbraw/zinc/28/86/94/451288694.db2.gz MYGYXNPZCDKUPZ-IBGZPJMESA-N 2 0 347.459 1.787 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@]2(COC)CCCC[NH2+]2)C1 ZINC000638128394 451298369 /nfs/dbraw/zinc/29/83/69/451298369.db2.gz SGSMTXPIWGWWHU-WMZOPIPTSA-N 2 0 341.496 1.104 20 0 EDADRP CC[NH2+][C@H](C)C(=O)N1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000638138419 451312874 /nfs/dbraw/zinc/31/28/74/451312874.db2.gz ASDLSWNMYNDBCM-MRXNPFEDSA-N 2 0 348.491 1.274 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638141807 451316261 /nfs/dbraw/zinc/31/62/61/451316261.db2.gz IGHHKNHQPDQAJO-MOPGFXCFSA-N 2 0 344.503 1.436 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638153228 451323826 /nfs/dbraw/zinc/32/38/26/451323826.db2.gz CVTWXRXSZIAWIH-HHXXYDBFSA-N 2 0 331.460 1.379 20 0 EDADRP [NH3+][C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)C1CC1 ZINC000638155051 451325911 /nfs/dbraw/zinc/32/59/11/451325911.db2.gz RPKCRZWHUZJHMH-NLWGTHIKSA-N 2 0 343.471 1.379 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CCC3C[NH2+]C3)CC2)cc1 ZINC000638272078 451390242 /nfs/dbraw/zinc/39/02/42/451390242.db2.gz HZXAWBFKNLRCNH-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638251441 451381543 /nfs/dbraw/zinc/38/15/43/451381543.db2.gz HTQOAFMVRXNTNQ-GFCCVEGCSA-N 2 0 333.436 1.161 20 0 EDADRP CN(C(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC([NH3+])C1 ZINC000638254557 451383392 /nfs/dbraw/zinc/38/33/92/451383392.db2.gz CKNQFILYTHLIQW-UHFFFAOYSA-N 2 0 330.476 1.318 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000638259089 451384389 /nfs/dbraw/zinc/38/43/89/451384389.db2.gz BVTHJEDUJGKERE-ZACQAIPSSA-N 2 0 333.432 1.050 20 0 EDADRP CC[N@H+](CCC1CC[NH+](Cc2cnc(N)nc2N)CC1)CC1CC1 ZINC000638273981 451394041 /nfs/dbraw/zinc/39/40/41/451394041.db2.gz FFVFVUJBOYXGCX-UHFFFAOYSA-N 2 0 332.496 1.636 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638276370 451395220 /nfs/dbraw/zinc/39/52/20/451395220.db2.gz OEERSFVPLNURDU-SFHVURJKSA-N 2 0 345.487 1.444 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000630772815 451395830 /nfs/dbraw/zinc/39/58/30/451395830.db2.gz RISSCBFFWGZITN-UHFFFAOYSA-N 2 0 345.447 1.637 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000638286304 451402470 /nfs/dbraw/zinc/40/24/70/451402470.db2.gz POCIGPVCQSJRFA-WMEZAQDKSA-N 2 0 331.460 1.390 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630831669 451426485 /nfs/dbraw/zinc/42/64/85/451426485.db2.gz NJCOADVURYQILT-UHFFFAOYSA-N 2 0 335.496 1.637 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]([NH3+])Cc2ccccc21 ZINC000638350257 451451646 /nfs/dbraw/zinc/45/16/46/451451646.db2.gz FEDWESUFMHXIOM-ZWKOTPCHSA-N 2 0 338.455 1.362 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000638350787 451451726 /nfs/dbraw/zinc/45/17/26/451451726.db2.gz FVCUJTNIWZWKSH-UIBIWLFHSA-N 2 0 335.423 1.236 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cncc(OC)c1C ZINC000630879670 451459083 /nfs/dbraw/zinc/45/90/83/451459083.db2.gz LHGCJTLLGKBPIB-INIZCTEOSA-N 2 0 348.491 1.887 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000638405968 451494593 /nfs/dbraw/zinc/49/45/93/451494593.db2.gz HTDBCVZNMUWMSB-ZWKOTPCHSA-N 2 0 333.476 1.633 20 0 EDADRP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000638458483 451526477 /nfs/dbraw/zinc/52/64/77/451526477.db2.gz DOERNFQMGNELFC-RDJZCZTQSA-N 2 0 336.524 1.582 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CN1CC[NH2+]CC1 ZINC000638481018 451534760 /nfs/dbraw/zinc/53/47/60/451534760.db2.gz GBUGWBVNANFYED-LJQANCHMSA-N 2 0 344.503 1.261 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000638480596 451535471 /nfs/dbraw/zinc/53/54/71/451535471.db2.gz ANLPORBZMLGNJD-RTBURBONSA-N 2 0 345.487 1.734 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000638546196 451571438 /nfs/dbraw/zinc/57/14/38/451571438.db2.gz CITSPSRFCSEGDE-BFHYXJOUSA-N 2 0 329.366 1.542 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000635013570 451649358 /nfs/dbraw/zinc/64/93/58/451649358.db2.gz ZJYSIBYFPDLCBS-MAUKXSAKSA-N 3 0 325.460 1.862 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)C1 ZINC000637014811 451680517 /nfs/dbraw/zinc/68/05/17/451680517.db2.gz IXVFHALUSHCGCB-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638783713 451689926 /nfs/dbraw/zinc/68/99/26/451689926.db2.gz OMCGVSYKKXFJIA-WMZOPIPTSA-N 2 0 331.460 1.612 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638785919 451691750 /nfs/dbraw/zinc/69/17/50/451691750.db2.gz HPIAEMPFTBMPHJ-KRWDZBQOSA-N 2 0 343.471 1.563 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638834738 451705272 /nfs/dbraw/zinc/70/52/72/451705272.db2.gz IAGJJZSRVOELKA-DOTOQJQBSA-N 2 0 331.460 1.249 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000638725488 451666480 /nfs/dbraw/zinc/66/64/80/451666480.db2.gz AUIBDSXECFAMKB-QGZVFWFLSA-N 2 0 331.460 1.790 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC[C@H](C[NH3+])CC3)cc2)CC1 ZINC000638966602 451742961 /nfs/dbraw/zinc/74/29/61/451742961.db2.gz GKAUKEUFUYKVGD-RUCARUNLSA-N 2 0 344.503 1.681 20 0 EDADRP COc1ccc(OCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638986781 451747134 /nfs/dbraw/zinc/74/71/34/451747134.db2.gz BHHRLZPLVAHEOR-UHFFFAOYSA-N 2 0 342.399 1.517 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)CC1 ZINC000639190574 451789164 /nfs/dbraw/zinc/78/91/64/451789164.db2.gz NTEDPUCPXZLFBI-QUCCMNQESA-N 2 0 332.488 1.978 20 0 EDADRP C[C@H](CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)[C@@H]1CCC[NH2+]C1 ZINC000653267363 451804782 /nfs/dbraw/zinc/80/47/82/451804782.db2.gz OKDNEKWBOIDQTA-ZKXLYKBJSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639307049 451818072 /nfs/dbraw/zinc/81/80/72/451818072.db2.gz MDAFWSYGRHRBFE-INIZCTEOSA-N 3 0 328.545 1.083 20 0 EDADRP CN1CCc2c(cccc2S(=O)(=O)N[C@H]2CCN(C3CC3)C2)C1 ZINC000641294121 451819939 /nfs/dbraw/zinc/81/99/39/451819939.db2.gz GJJCWISBMVCPSE-AWEZNQCLSA-N 2 0 335.473 1.190 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000642113225 451823727 /nfs/dbraw/zinc/82/37/27/451823727.db2.gz MHCYALXMNJVLTF-WBVHZDCISA-N 2 0 346.475 1.039 20 0 EDADRP CCCN(C(=O)C(=O)Nc1c(C)cc(C)nc1C)[C@H]1CC[N@H+](C)C1 ZINC000646763504 451824582 /nfs/dbraw/zinc/82/45/82/451824582.db2.gz BAGPNPKYLILPJL-HNNXBMFYSA-N 2 0 332.448 1.888 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)COC2CCOCC2)C1 ZINC000644521965 451837984 /nfs/dbraw/zinc/83/79/84/451837984.db2.gz JTTQTMYGAYXDPA-SJORKVTESA-N 2 0 328.497 1.645 20 0 EDADRP CCN(C(=O)NCCNc1cc(C)nc(C(C)C)n1)[C@H]1CC[N@H+](C)C1 ZINC000637413663 451842906 /nfs/dbraw/zinc/84/29/06/451842906.db2.gz WHUACMPNSDNCEX-HNNXBMFYSA-N 2 0 348.495 2.056 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)COc2ccc(F)cc2)CC1 ZINC000644562538 451862394 /nfs/dbraw/zinc/86/23/94/451862394.db2.gz YBDMDROGOUINEQ-MRXNPFEDSA-N 2 0 339.455 1.181 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000644633574 451906892 /nfs/dbraw/zinc/90/68/92/451906892.db2.gz JNXMGRHPNBAPKS-HXUWFJFHSA-N 2 0 331.504 1.943 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)[C@H]2C1 ZINC000646934903 451949745 /nfs/dbraw/zinc/94/97/45/451949745.db2.gz XNKNKXAFXIJEKD-MOPGFXCFSA-N 2 0 342.487 1.210 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]4C[N@H+](C)C[C@@H]43)cc2)CC1 ZINC000646914959 451933414 /nfs/dbraw/zinc/93/34/14/451933414.db2.gz HAVJSBBHNQQXGH-MJGOQNOKSA-N 2 0 342.487 1.605 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N(C)CCN2CC[NH2+]CC2)cc1)C(C)C ZINC000649271811 451944314 /nfs/dbraw/zinc/94/43/14/451944314.db2.gz YZYLPTAXZULTES-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[NH+]2CCCC2)c1 ZINC000649279574 451951280 /nfs/dbraw/zinc/95/12/80/451951280.db2.gz YWPDMMMITVSKRI-FUHWJXTLSA-N 2 0 347.459 1.184 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000651610501 451958555 /nfs/dbraw/zinc/95/85/55/451958555.db2.gz GIYCERBKJAOTBL-WBVHZDCISA-N 2 0 344.459 1.384 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000642788992 451964727 /nfs/dbraw/zinc/96/47/27/451964727.db2.gz KYNOVBYXORKHSS-XKQJLSEDSA-N 2 0 344.459 1.018 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000637601668 451966894 /nfs/dbraw/zinc/96/68/94/451966894.db2.gz BOBFCSLLQVVMCK-AEFFLSMTSA-N 2 0 332.492 1.958 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649294898 451970958 /nfs/dbraw/zinc/97/09/58/451970958.db2.gz RDXPBXBZJDHBHK-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cc1 ZINC000641442529 451982469 /nfs/dbraw/zinc/98/24/69/451982469.db2.gz WGRGKXGKIPSMDZ-HZPDHXFCSA-N 2 0 325.478 1.509 20 0 EDADRP COCCC1(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000649306850 451984098 /nfs/dbraw/zinc/98/40/98/451984098.db2.gz TVUCZLRZHGBDNT-HOTGVXAUSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000649308500 451985517 /nfs/dbraw/zinc/98/55/17/451985517.db2.gz KQEQHRXDFHTFQO-AWEZNQCLSA-N 2 0 341.402 1.488 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000649322859 452001441 /nfs/dbraw/zinc/00/14/41/452001441.db2.gz QXTCPNZAORAXLO-GOSISDBHSA-N 2 0 327.472 1.908 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@H+](C)C2CCCC2)cnn1C ZINC000649323173 452004118 /nfs/dbraw/zinc/00/41/18/452004118.db2.gz KESNAFPLZILYRF-SJORKVTESA-N 2 0 333.480 1.022 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCC3=CC[N@H+](C)CC3)cn2)CC1 ZINC000637666556 452007507 /nfs/dbraw/zinc/00/75/07/452007507.db2.gz CYDSURVVRMYQOY-UHFFFAOYSA-N 2 0 332.452 1.533 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000649332322 452014765 /nfs/dbraw/zinc/01/47/65/452014765.db2.gz SDFKKCPISZHRIK-WMLDXEAASA-N 2 0 344.459 1.449 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649336613 452017930 /nfs/dbraw/zinc/01/79/30/452017930.db2.gz IGLXAZDOWVHVJS-XQZMSQOBSA-N 2 0 327.472 1.725 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)COC3(C)C[NH2+]C3)cc2)C1 ZINC000649345839 452028175 /nfs/dbraw/zinc/02/81/75/452028175.db2.gz PEILSTBJEYKELR-OAHLLOKOSA-N 2 0 347.459 1.724 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(N)CC[N@H+](C)C3)c(C)c2)CC1 ZINC000649348930 452031885 /nfs/dbraw/zinc/03/18/85/452031885.db2.gz HBWPWCGDDHMEOG-IBGZPJMESA-N 2 0 345.491 1.108 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3C[C@@H]([NH3+])C3)CC2)c1 ZINC000649351257 452035102 /nfs/dbraw/zinc/03/51/02/452035102.db2.gz BQQYKFZXCPXFMQ-CALCHBBNSA-N 2 0 330.476 1.361 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000649351799 452036016 /nfs/dbraw/zinc/03/60/16/452036016.db2.gz SXLYCIKFLDMODX-AWEZNQCLSA-N 2 0 329.448 1.162 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)C1CC1 ZINC000643083082 452036200 /nfs/dbraw/zinc/03/62/00/452036200.db2.gz RJFZIIMJHZZPQS-DKSSEZFCSA-N 2 0 349.519 1.994 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649378635 452051543 /nfs/dbraw/zinc/05/15/43/452051543.db2.gz PUPYQSLPQHXZOJ-APWZRJJASA-N 2 0 336.524 1.523 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)c1nccnc1N(C)C[C@@H]1CCC[NH+]1C ZINC000643197847 452063779 /nfs/dbraw/zinc/06/37/79/452063779.db2.gz DPURJPWMOJKSNS-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)Nc2ccc3c(c2)C[NH2+]CC3)c1 ZINC000637843059 452111656 /nfs/dbraw/zinc/11/16/56/452111656.db2.gz ZRISLGJRMCGDBA-GOSISDBHSA-N 2 0 325.412 1.849 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO1 ZINC000647184401 452112788 /nfs/dbraw/zinc/11/27/88/452112788.db2.gz FAHWQWXYTDVWPY-QAPCUYQASA-N 2 0 331.460 1.779 20 0 EDADRP C[NH+]1CCC(C[NH2+]C2CCC(F)(F)CC2)(N2CCOCC2)CC1 ZINC000647217397 452129713 /nfs/dbraw/zinc/12/97/13/452129713.db2.gz ORODWACHZXRZPT-UHFFFAOYSA-N 2 0 331.451 1.951 20 0 EDADRP CC[C@@H](C)C[C@@H](CO)[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000647336735 452180670 /nfs/dbraw/zinc/18/06/70/452180670.db2.gz FRVROSIJZPCFMF-AEFFLSMTSA-N 2 0 327.513 1.170 20 0 EDADRP C[NH+](C)CCC1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637963979 452209922 /nfs/dbraw/zinc/20/99/22/452209922.db2.gz DWCSVSQGPCVZFX-UHFFFAOYSA-N 2 0 325.478 1.498 20 0 EDADRP CNC(=O)[C@H](CC(C)C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643479025 452243378 /nfs/dbraw/zinc/24/33/78/452243378.db2.gz MYLBRWVEYRYHGI-BXWFABGCSA-N 2 0 331.460 1.993 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655451703 452245734 /nfs/dbraw/zinc/24/57/34/452245734.db2.gz VGZMFGUTSPIULD-XLIONFOSSA-N 2 0 349.519 1.775 20 0 EDADRP NC1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000647552212 452278353 /nfs/dbraw/zinc/27/83/53/452278353.db2.gz MQBMGGHNULJNIX-VAMGGRTRSA-N 3 0 342.531 1.958 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)[C@@H](C)C1 ZINC000659456947 452308372 /nfs/dbraw/zinc/30/83/72/452308372.db2.gz USXDUDIJCUQKII-VUGNNNGISA-N 2 0 338.496 1.256 20 0 EDADRP CC[NH+](CC)CCCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638047709 452313787 /nfs/dbraw/zinc/31/37/87/452313787.db2.gz KHVDXDUYLYZDJQ-LLVKDONJSA-N 2 0 344.410 1.212 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000652123851 452319216 /nfs/dbraw/zinc/31/92/16/452319216.db2.gz CDBZZLOBGDGIHP-UHFFFAOYSA-N 2 0 340.512 1.517 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCCC[NH2+]1 ZINC000638049758 452319695 /nfs/dbraw/zinc/31/96/95/452319695.db2.gz HJAOJOGLMRJHHD-SJLPKXTDSA-N 2 0 337.439 1.703 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665757334 452323197 /nfs/dbraw/zinc/32/31/97/452323197.db2.gz FZDFSMLAMHYQAT-DLBZAZTESA-N 2 0 341.544 1.430 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000652147061 452340356 /nfs/dbraw/zinc/34/03/56/452340356.db2.gz GLHXJDXSJPPHTO-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(-n2cncn2)c(F)c1 ZINC000657572973 452342814 /nfs/dbraw/zinc/34/28/14/452342814.db2.gz HBQUWSVFDNVRHN-HNNXBMFYSA-N 2 0 348.470 1.768 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000638062023 452353988 /nfs/dbraw/zinc/35/39/88/452353988.db2.gz CEPCENYQYUIBDZ-HRCADAONSA-N 2 0 333.476 1.910 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659493908 452356629 /nfs/dbraw/zinc/35/66/29/452356629.db2.gz YFKSMMPVJLBBBY-MWQQHZPXSA-N 2 0 334.439 1.730 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])[NH+]1CCCCC1 ZINC000638063880 452360543 /nfs/dbraw/zinc/36/05/43/452360543.db2.gz JLIOCIHPWLFFIJ-LZLYRXPVSA-N 2 0 347.459 1.455 20 0 EDADRP CCC(=O)N1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657594601 452360649 /nfs/dbraw/zinc/36/06/49/452360649.db2.gz JAEUDTSYLNARIJ-IBGZPJMESA-N 2 0 345.487 1.744 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1cnc(C[NH3+])nc1)Cc1ccccc1 ZINC000638065705 452367493 /nfs/dbraw/zinc/36/74/93/452367493.db2.gz WBWPCNXNYFBZRM-KRWDZBQOSA-N 2 0 341.459 1.618 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000638066157 452370368 /nfs/dbraw/zinc/37/03/68/452370368.db2.gz DMFOQRMPGCBRPD-PKOBYXMFSA-N 2 0 347.459 1.349 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000659524276 452387339 /nfs/dbraw/zinc/38/73/39/452387339.db2.gz RLZGMQSETGBBAU-CRAIPNDOSA-N 2 0 348.491 1.959 20 0 EDADRP COCCn1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000657613622 452391009 /nfs/dbraw/zinc/39/10/09/452391009.db2.gz OKENIDSQDRDHAO-UHFFFAOYSA-N 2 0 343.475 1.926 20 0 EDADRP COc1cc(Cl)ccc1CN(C)CC(=O)N1CCN(C)CC1 ZINC000640051491 452393958 /nfs/dbraw/zinc/39/39/58/452393958.db2.gz OESIFVBKBXISRX-UHFFFAOYSA-N 2 0 325.840 1.554 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638081298 452398081 /nfs/dbraw/zinc/39/80/81/452398081.db2.gz WZWSYJBRODXYQY-ICSRJNTNSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000659544828 452403216 /nfs/dbraw/zinc/40/32/16/452403216.db2.gz XZCNQSWHLXAAKC-WBQNTZJQSA-N 2 0 334.439 1.711 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652209752 452404833 /nfs/dbraw/zinc/40/48/33/452404833.db2.gz WAQUODLUDGMZFA-JJXSEGSLSA-N 2 0 326.485 1.432 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C(F)F ZINC000659552332 452410085 /nfs/dbraw/zinc/41/00/85/452410085.db2.gz YNUSZGNGNAMYRT-HZSPNIEDSA-N 2 0 326.391 1.414 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000647679246 452413553 /nfs/dbraw/zinc/41/35/53/452413553.db2.gz UQWMHYUYTLSDGW-MSOLQXFVSA-N 2 0 334.508 1.290 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000645447636 452416098 /nfs/dbraw/zinc/41/60/98/452416098.db2.gz BQNXLKXVCJOWFS-SFHVURJKSA-N 2 0 344.503 1.621 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000652224643 452417087 /nfs/dbraw/zinc/41/70/87/452417087.db2.gz DPVHAUBHIMWTKM-UHFFFAOYSA-N 2 0 328.501 1.504 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000654374353 452425570 /nfs/dbraw/zinc/42/55/70/452425570.db2.gz HZFQUBMMVIYQNU-LUKYLMHMSA-N 2 0 340.512 1.658 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000654377638 452429707 /nfs/dbraw/zinc/42/97/07/452429707.db2.gz RJDJYQVLUDXDGN-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576209 452430960 /nfs/dbraw/zinc/43/09/60/452430960.db2.gz GBFWCFGVJKBSFG-KZNAEPCWSA-N 2 0 330.476 1.868 20 0 EDADRP CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000659589539 452446315 /nfs/dbraw/zinc/44/63/15/452446315.db2.gz RZRDTILHKQMXKK-IAGOWNOFSA-N 2 0 334.439 1.665 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)NCCC3CC[NH2+]CC3)C2)C1 ZINC000652325736 452498963 /nfs/dbraw/zinc/49/89/63/452498963.db2.gz XZFSWEPOJDYNIW-ZACQAIPSSA-N 2 0 338.496 1.304 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC1 ZINC000655686291 452508408 /nfs/dbraw/zinc/50/84/08/452508408.db2.gz CBNPUXVWLXBMNP-SFHVURJKSA-N 2 0 338.540 1.245 20 0 EDADRP c1c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)nnn1Cc1cccnc1 ZINC000657813252 452548028 /nfs/dbraw/zinc/54/80/28/452548028.db2.gz LXISKTOMFFIAIJ-UHFFFAOYSA-N 2 0 340.475 1.933 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000663849593 452576046 /nfs/dbraw/zinc/57/60/46/452576046.db2.gz KZAAZSQZWYKXNZ-MAUKXSAKSA-N 2 0 348.491 1.393 20 0 EDADRP COC1([C@H](C)[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCC1 ZINC000657868937 452580961 /nfs/dbraw/zinc/58/09/61/452580961.db2.gz DZBCOCXWFBNGOX-KRWDZBQOSA-N 2 0 347.507 1.926 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2CC[C@@H](O)[C@H]2C)CC1 ZINC000650187848 452583097 /nfs/dbraw/zinc/58/30/97/452583097.db2.gz DYQWXOVWCSHNOU-IEBWSBKVSA-N 2 0 345.487 1.484 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC1 ZINC000663919454 452644506 /nfs/dbraw/zinc/64/45/06/452644506.db2.gz BTUYNQOMUTYDRQ-MRXNPFEDSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000645786962 452788646 /nfs/dbraw/zinc/78/86/46/452788646.db2.gz NZANNERZHGNFGD-MOPGFXCFSA-N 2 0 345.487 1.783 20 0 EDADRP CO[C@@H](CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1)C1CC1 ZINC000656022599 452809279 /nfs/dbraw/zinc/80/92/79/452809279.db2.gz LXBCNHOYNCVKLQ-IRXDYDNUSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cc1 ZINC000645812211 452811945 /nfs/dbraw/zinc/81/19/45/452811945.db2.gz UIELVJDAIRAMCM-OAHLLOKOSA-N 2 0 344.503 1.995 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000648153132 452864782 /nfs/dbraw/zinc/86/47/82/452864782.db2.gz MDOBQARWFKSXMR-CQSZACIVSA-N 2 0 326.391 1.217 20 0 EDADRP C[NH+]1CCN(CCNc2nccc(N3CCCC(C)(C)C3)n2)CC1 ZINC000656109019 452867127 /nfs/dbraw/zinc/86/71/27/452867127.db2.gz PKOVRNUZPBBKIA-UHFFFAOYSA-N 2 0 332.496 1.762 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)COC2(C)C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000648168007 452877614 /nfs/dbraw/zinc/87/76/14/452877614.db2.gz MVEOJCJONPWTIW-SJLPKXTDSA-N 2 0 345.487 1.782 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C2)C1 ZINC000662144462 452879405 /nfs/dbraw/zinc/87/94/05/452879405.db2.gz FHCZRSOWEIJOGV-LJQANCHMSA-N 2 0 334.508 1.846 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)C2CC3CC(C2)CC1C3 ZINC000648179045 452891225 /nfs/dbraw/zinc/89/12/25/452891225.db2.gz QULOUIUKXPHWOW-GMDIISMXSA-N 2 0 327.419 1.501 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000664216261 452891346 /nfs/dbraw/zinc/89/13/46/452891346.db2.gz GEALTCBYQCYNQC-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(CCOCc2ccccc2)CC1 ZINC000660013147 452923414 /nfs/dbraw/zinc/92/34/14/452923414.db2.gz PCBUJBZZQLQMAN-GOSISDBHSA-N 2 0 331.460 1.442 20 0 EDADRP CC[C@@H](OCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000650710759 452947825 /nfs/dbraw/zinc/94/78/25/452947825.db2.gz YYFSBUUEQJTZFP-FUHWJXTLSA-N 2 0 333.476 1.941 20 0 EDADRP CC[C@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000652813725 452974011 /nfs/dbraw/zinc/97/40/11/452974011.db2.gz KBMASEZRIVDDJA-QYZOEREBSA-N 2 0 345.487 1.829 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664296395 452975126 /nfs/dbraw/zinc/97/51/26/452975126.db2.gz KRCGYUFPCBLFRG-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000654869980 452992227 /nfs/dbraw/zinc/99/22/27/452992227.db2.gz RLKJJSOMCYLMEI-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cc(C3CC3)no2)C1)[C@H]1CCC[NH2+]1 ZINC000662265572 452996203 /nfs/dbraw/zinc/99/62/03/452996203.db2.gz RHBVUGHYSJZOIE-CZUORRHYSA-N 2 0 332.448 1.632 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)Nc1cccc2c1OCO2 ZINC000666632723 453024374 /nfs/dbraw/zinc/02/43/74/453024374.db2.gz JFGLLYVHBFEYPM-ZDUSSCGKSA-N 2 0 336.436 1.809 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662307766 453027436 /nfs/dbraw/zinc/02/74/36/453027436.db2.gz ZBEFLMDBMDIRGW-OALUTQOASA-N 2 0 329.488 1.756 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H]2Cc3ccccc3O2)[C@@H]1CCC[NH3+] ZINC000662316297 453033290 /nfs/dbraw/zinc/03/32/90/453033290.db2.gz VVMRIKKDBLSKGX-BPQIPLTHSA-N 2 0 345.487 1.946 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1cccs1 ZINC000662348449 453064113 /nfs/dbraw/zinc/06/41/13/453064113.db2.gz RUHSSUSKKXSZJT-WCQYABFASA-N 2 0 333.461 1.581 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc21 ZINC000662390410 453101235 /nfs/dbraw/zinc/10/12/35/453101235.db2.gz JSEUZFOHJBSERW-QGZVFWFLSA-N 2 0 330.476 1.090 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NC1CC[NH+](C3CC3)CC1)CCOCC2 ZINC000646100956 453101351 /nfs/dbraw/zinc/10/13/51/453101351.db2.gz SLNISVMSCPDUQF-HNNXBMFYSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)[NH2+]CC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000662392629 453102837 /nfs/dbraw/zinc/10/28/37/453102837.db2.gz VVPMIFAPMAJFBO-UHFFFAOYSA-N 2 0 332.492 1.703 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662399169 453109084 /nfs/dbraw/zinc/10/90/84/453109084.db2.gz NYMOJRXIZQITBN-HNNXBMFYSA-N 2 0 342.447 1.955 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000666754341 453117828 /nfs/dbraw/zinc/11/78/28/453117828.db2.gz LGFXKKNLJZYARJ-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000660206928 453130965 /nfs/dbraw/zinc/13/09/65/453130965.db2.gz TUJVIZQOYGNOLM-UHFFFAOYSA-N 2 0 330.476 1.854 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662425445 453133552 /nfs/dbraw/zinc/13/35/52/453133552.db2.gz BRDICQACGYTLBO-XJKSGUPXSA-N 2 0 342.447 1.542 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662459394 453168530 /nfs/dbraw/zinc/16/85/30/453168530.db2.gz YNOPTLFRZSIODC-CQSZACIVSA-N 2 0 334.468 1.197 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[N@@H+]1C ZINC000648731741 453218729 /nfs/dbraw/zinc/21/87/29/453218729.db2.gz MLOLHCNYSFVIFU-IEBWSBKVSA-N 2 0 344.503 1.655 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662521150 453240709 /nfs/dbraw/zinc/24/07/09/453240709.db2.gz CPQZHQWAZBQRGI-LSDHHAIUSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653105585 453288218 /nfs/dbraw/zinc/28/82/18/453288218.db2.gz ANAOKEYQRZULGP-SCTDSRPQSA-N 2 0 329.444 1.176 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)c1 ZINC000653108989 453293637 /nfs/dbraw/zinc/29/36/37/453293637.db2.gz PAIWWBIQFVDWEM-MSOLQXFVSA-N 2 0 331.460 1.774 20 0 EDADRP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000662572786 453299574 /nfs/dbraw/zinc/29/95/74/453299574.db2.gz ZDJHJRFBHNOXJV-TVPLGVNVSA-N 2 0 342.487 1.554 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666979161 453300446 /nfs/dbraw/zinc/30/04/46/453300446.db2.gz OEYWMILCQDHTMC-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000653115150 453302978 /nfs/dbraw/zinc/30/29/78/453302978.db2.gz FMERRACMBNTYGV-GOSISDBHSA-N 2 0 348.491 1.108 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662576432 453303580 /nfs/dbraw/zinc/30/35/80/453303580.db2.gz XQMPGZKZHXGFSZ-YOEHRIQHSA-N 2 0 349.500 1.752 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653117355 453304917 /nfs/dbraw/zinc/30/49/17/453304917.db2.gz JPJUTKXNHYQCPF-CRAIPNDOSA-N 2 0 332.492 1.607 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653116723 453305020 /nfs/dbraw/zinc/30/50/20/453305020.db2.gz QDEGVEFLRAQJGS-MOPGFXCFSA-N 2 0 345.487 1.816 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H](N)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000653119616 453309291 /nfs/dbraw/zinc/30/92/91/453309291.db2.gz PTOVBBAXCKNIHG-BHIYHBOVSA-N 2 0 346.519 1.777 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC[N@@H+]1Cc1ccccc1 ZINC000653122672 453312528 /nfs/dbraw/zinc/31/25/28/453312528.db2.gz ATDHEYGTTSGWJV-KPFFTGBYSA-N 2 0 343.471 1.345 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000653124868 453318786 /nfs/dbraw/zinc/31/87/86/453318786.db2.gz JNPBVEPKHUELMU-ZWKOTPCHSA-N 2 0 348.535 1.584 20 0 EDADRP C[C@H](C(=O)N1CCC([NH+]2CCOC[C@H]2C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000646320115 453318756 /nfs/dbraw/zinc/31/87/56/453318756.db2.gz VWHVCFPKWOSBJE-YYIAUSFCSA-N 2 0 337.508 1.959 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2)CC1 ZINC000653124994 453320095 /nfs/dbraw/zinc/32/00/95/453320095.db2.gz PEQJHKNGKIPOQK-KRWDZBQOSA-N 2 0 330.476 1.762 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662613386 453331830 /nfs/dbraw/zinc/33/18/30/453331830.db2.gz FADZOCSTURRAIG-HNNXBMFYSA-N 2 0 341.521 1.089 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]1CCO ZINC000664716327 453342633 /nfs/dbraw/zinc/34/26/33/453342633.db2.gz ACMSCDXLUDZWGA-HRCADAONSA-N 2 0 328.501 1.109 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC[N@@H+]1C ZINC000648869778 453345237 /nfs/dbraw/zinc/34/52/37/453345237.db2.gz DOFJBRAICFFQKY-BPQIPLTHSA-N 2 0 330.476 1.702 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000651194567 453347257 /nfs/dbraw/zinc/34/72/57/453347257.db2.gz JWRXHUIGTXAMMH-UHFFFAOYSA-N 2 0 341.544 1.243 20 0 EDADRP O=C(Nc1ccccc1OCCN1CC[NH2+]CC1)[C@H]1CCC[NH2+]CC1 ZINC000653163743 453356900 /nfs/dbraw/zinc/35/69/00/453356900.db2.gz PPZUYHVGUWTCBG-INIZCTEOSA-N 2 0 346.475 1.299 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)[C@@H]3C[NH2+]Cc4ccccc43)C2)C1 ZINC000653182955 453373750 /nfs/dbraw/zinc/37/37/50/453373750.db2.gz ZOOIEJJBCIGJDN-ISARSNTHSA-N 2 0 343.471 1.618 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662667717 453380347 /nfs/dbraw/zinc/38/03/47/453380347.db2.gz DGXBQPUUENANIC-GOEBONIOSA-N 2 0 346.479 1.339 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667067803 453383117 /nfs/dbraw/zinc/38/31/17/453383117.db2.gz VBLPDHJQDBBLKR-HNNXBMFYSA-N 2 0 344.459 1.261 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)CC3([NH3+])CC3)cc2)C[C@H](C)O1 ZINC000662675090 453392418 /nfs/dbraw/zinc/39/24/18/453392418.db2.gz JEIAJNHSMYWFBA-GJZGRUSLSA-N 2 0 331.460 1.793 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H](N)CC[NH+](C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000653202614 453395669 /nfs/dbraw/zinc/39/56/69/453395669.db2.gz PDRKKGJDKPRMQI-SFNKJDCFSA-N 2 0 346.519 1.775 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662680819 453400804 /nfs/dbraw/zinc/40/08/04/453400804.db2.gz ZCWUVBFTRKGLBV-ZBFHGGJFSA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCSC1 ZINC000662681119 453401798 /nfs/dbraw/zinc/40/17/98/453401798.db2.gz AUZAFAPFKVXSIS-VXGBXAGGSA-N 2 0 325.400 1.082 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[C@@H]1O ZINC000664808756 453420109 /nfs/dbraw/zinc/42/01/09/453420109.db2.gz GHQXEELXHAQEFG-IKGGRYGDSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)n1 ZINC000667138252 453430616 /nfs/dbraw/zinc/43/06/16/453430616.db2.gz YFLJUIGHHWZKNE-INIZCTEOSA-N 2 0 348.495 1.687 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662730026 453456584 /nfs/dbraw/zinc/45/65/84/453456584.db2.gz YZMCWMHYSBVRFU-KSZLIROESA-N 2 0 331.460 1.331 20 0 EDADRP Cc1cc(NC(=O)[C@@H]2C[NH2+]CCO2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000646542124 453460810 /nfs/dbraw/zinc/46/08/10/453460810.db2.gz STFVRLNYHXSZLF-SFHVURJKSA-N 2 0 346.475 1.452 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@H]3CCO[C@H]3C[NH3+])cc21 ZINC000662739201 453465074 /nfs/dbraw/zinc/46/50/74/453465074.db2.gz DEUYJQBSAMKJNT-WBVHZDCISA-N 2 0 330.432 1.505 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cc(C(C)(C)[NH3+])no2)Cc2ccccc2C1 ZINC000662742999 453469503 /nfs/dbraw/zinc/46/95/03/453469503.db2.gz YFIRCKYFCIGUEC-UHFFFAOYSA-N 2 0 342.443 1.697 20 0 EDADRP Cc1csc2nc(CN3CCC[C@]4(CC[N@@H+](C)C4)C3)cc(=O)n12 ZINC000660655003 453490561 /nfs/dbraw/zinc/49/05/61/453490561.db2.gz DWDMBDYIDXDCEX-QGZVFWFLSA-N 2 0 332.473 1.982 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CC2([NH3+])CC2)[C@@H](c2ccccc2)C1 ZINC000662756526 453494414 /nfs/dbraw/zinc/49/44/14/453494414.db2.gz IOQQYIAUYRXNCC-QGZVFWFLSA-N 2 0 330.476 1.363 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3[NH2+]CCC3(C)C)cn2)CC1 ZINC000662756613 453494585 /nfs/dbraw/zinc/49/45/85/453494585.db2.gz JCXAVJNZJOZNFL-QGZVFWFLSA-N 2 0 345.491 1.228 20 0 EDADRP N[C@@H](C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)c1ccc(F)cc1F ZINC000662763913 453501753 /nfs/dbraw/zinc/50/17/53/453501753.db2.gz JYQUQZPPWGZLER-MEDUHNTESA-N 2 0 332.354 1.814 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)c3cc(C4CC[NH2+]CC4)no3)cc2C1 ZINC000662765227 453502252 /nfs/dbraw/zinc/50/22/52/453502252.db2.gz WZENZOQSARWCDX-CYBMUJFWSA-N 2 0 341.415 1.605 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000660692347 453518410 /nfs/dbraw/zinc/51/84/10/453518410.db2.gz OTYSJQNMMHQKIM-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660705659 453532247 /nfs/dbraw/zinc/53/22/47/453532247.db2.gz IVFDPAXXUNWYGJ-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3C[C@]34CCC[NH2+]C4)CC2)c1 ZINC000655447136 453533762 /nfs/dbraw/zinc/53/37/62/453533762.db2.gz RKOKYSOSICEYER-YJBOKZPZSA-N 2 0 330.432 1.129 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662810015 453543657 /nfs/dbraw/zinc/54/36/57/453543657.db2.gz LRYQFBVLDBEFBB-MRXNPFEDSA-N 2 0 346.479 1.197 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000662813087 453545464 /nfs/dbraw/zinc/54/54/64/453545464.db2.gz KJDOMMCIEXXXBT-GOEBONIOSA-N 2 0 332.448 1.746 20 0 EDADRP O=C(N1CCC([C@@H]2CCC[NH2+]C2)CC1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662838857 453564941 /nfs/dbraw/zinc/56/49/41/453564941.db2.gz LEAGBWUQDCFIBZ-UKRRQHHQSA-N 2 0 333.398 1.767 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000662845524 453566833 /nfs/dbraw/zinc/56/68/33/453566833.db2.gz JDOVTOIRPAULNM-SFHVURJKSA-N 2 0 336.524 1.252 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000662845842 453567228 /nfs/dbraw/zinc/56/72/28/453567228.db2.gz LQVGBZULIGEGAG-HNNXBMFYSA-N 2 0 333.480 1.198 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000662868604 453580141 /nfs/dbraw/zinc/58/01/41/453580141.db2.gz MMKGKDQBKYYZRB-ZNMIVQPWSA-N 2 0 341.402 1.630 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034597 453591305 /nfs/dbraw/zinc/59/13/05/453591305.db2.gz OWNHGOYXZFQQRI-IAGOWNOFSA-N 2 0 348.447 1.190 20 0 EDADRP CCC[NH+]1CCN(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659034543 453591538 /nfs/dbraw/zinc/59/15/38/453591538.db2.gz ODKJGRLRRVVOEX-QGZVFWFLSA-N 2 0 332.448 1.907 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C[NH+]1CCN(C)CC1 ZINC000660828847 453593178 /nfs/dbraw/zinc/59/31/78/453593178.db2.gz ATKDCTPEAGOZRR-CVEARBPZSA-N 2 0 339.528 1.042 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[N@H+]2CC[C@H](C)C2)ccc1C[NH+](C)C ZINC000662907670 453597590 /nfs/dbraw/zinc/59/75/90/453597590.db2.gz QKXATHUFWFTUPD-AWEZNQCLSA-N 2 0 346.475 1.453 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc2c1CC[NH2+]C2 ZINC000662916002 453601485 /nfs/dbraw/zinc/60/14/85/453601485.db2.gz RPNHWZJVRRJDSP-MRXNPFEDSA-N 2 0 329.444 1.315 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662971837 453630884 /nfs/dbraw/zinc/63/08/84/453630884.db2.gz LIWRKUXCOVOHND-UHFFFAOYSA-N 2 0 345.491 1.200 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CCO1 ZINC000662973787 453631607 /nfs/dbraw/zinc/63/16/07/453631607.db2.gz WBOFZRIIXZIPTP-FUHWJXTLSA-N 2 0 331.460 1.443 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000665289327 453636627 /nfs/dbraw/zinc/63/66/27/453636627.db2.gz LKQGXXCNUXGCOD-ZWKOTPCHSA-N 3 0 330.476 1.711 20 0 EDADRP C[C@H]1C[C@@H](NCc2nc(C[NH3+])cc(=O)[nH]2)C[N@@H+]1Cc1ccccc1 ZINC000665292162 453639027 /nfs/dbraw/zinc/63/90/27/453639027.db2.gz USXFKHSOTAYIDH-XJKSGUPXSA-N 2 0 327.432 1.394 20 0 EDADRP C[NH+](C)C1(CNC(=O)C2([NH3+])CC3(CCC3)C2)Cc2ccccc2C1 ZINC000659291662 453704965 /nfs/dbraw/zinc/70/49/65/453704965.db2.gz IZEYQGINVCFJKM-UHFFFAOYSA-N 2 0 327.472 1.863 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657346525 453771389 /nfs/dbraw/zinc/77/13/89/453771389.db2.gz FKBLMHDCNFZTFE-CYBMUJFWSA-N 2 0 347.429 1.802 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000417522334 486800038 /nfs/dbraw/zinc/80/00/38/486800038.db2.gz GCLHLMPBXJGZGG-IAGOWNOFSA-N 2 0 348.491 1.739 20 0 EDADRP OCC[C@@]1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOC1 ZINC000683707238 486796281 /nfs/dbraw/zinc/79/62/81/486796281.db2.gz ZMTATJFEOYXWRW-LJQANCHMSA-N 2 0 334.460 1.792 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000417264928 486796350 /nfs/dbraw/zinc/79/63/50/486796350.db2.gz ATKDVFRUWXJXJH-OAHLLOKOSA-N 2 0 334.464 1.268 20 0 EDADRP CC(C)[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[NH2+]1 ZINC000667518658 486818362 /nfs/dbraw/zinc/81/83/62/486818362.db2.gz UAACVTIIPNRUIF-MRXNPFEDSA-N 2 0 332.448 1.143 20 0 EDADRP C[NH2+]CCN(C)C(=O)N[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000417996494 486820518 /nfs/dbraw/zinc/82/05/18/486820518.db2.gz SLRLTJOWABLIGL-MSOLQXFVSA-N 2 0 346.475 1.834 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC2(C[NH+](C)C)CCCC2)cn1 ZINC000680591809 486821948 /nfs/dbraw/zinc/82/19/48/486821948.db2.gz CZKMIZKLDSJKBO-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000683847671 486836791 /nfs/dbraw/zinc/83/67/91/486836791.db2.gz JFMFYRWFQZKGEG-IAGOWNOFSA-N 2 0 337.508 1.556 20 0 EDADRP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)NC[C@H](C)[NH3+])c2C1 ZINC000667559386 486845602 /nfs/dbraw/zinc/84/56/02/486845602.db2.gz LCQFPLHWGGHMDO-STQMWFEESA-N 2 0 332.448 1.449 20 0 EDADRP CCN(CCNC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000673034168 486887771 /nfs/dbraw/zinc/88/77/71/486887771.db2.gz GNSZDGUANBIIPQ-CVEARBPZSA-N 2 0 342.528 1.124 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000430998499 486900850 /nfs/dbraw/zinc/90/08/50/486900850.db2.gz CBHBXOOCGMZDJR-RBUKOAKNSA-N 2 0 344.503 1.438 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@H]2CCC[C@@H]2[NH3+])[C@H](c2ccccc2)C1 ZINC000431025479 486902676 /nfs/dbraw/zinc/90/26/76/486902676.db2.gz SYFLVIGUSQPXCY-QYZOEREBSA-N 2 0 344.503 1.609 20 0 EDADRP C[C@@H](C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1)[NH+](C)C ZINC000674324475 487237016 /nfs/dbraw/zinc/23/70/16/487237016.db2.gz YXTBOBBVSQEOOQ-INIZCTEOSA-N 2 0 338.540 1.591 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cccc(NS(C)(=O)=O)c1 ZINC000674710953 487303491 /nfs/dbraw/zinc/30/34/91/487303491.db2.gz MDWJVVKFRHCWPU-MRXNPFEDSA-N 2 0 343.493 1.505 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(c2cc[nH+]c3c(O)cccc23)CC1 ZINC000682239700 487328566 /nfs/dbraw/zinc/32/85/66/487328566.db2.gz DTSHAAGOFAFARX-UHFFFAOYSA-N 2 0 342.443 1.931 20 0 EDADRP CN(c1ccccc1C[NH2+]CCCn1cncn1)C1CC[NH+](C)CC1 ZINC000675334091 487399562 /nfs/dbraw/zinc/39/95/62/487399562.db2.gz MFUQIZROEQPOQO-UHFFFAOYSA-N 2 0 342.491 1.988 20 0 EDADRP CN1CCN(c2ncc(CN3CCC[C@@H](OC(F)F)C3)cn2)CC1 ZINC000679740123 487462514 /nfs/dbraw/zinc/46/25/14/487462514.db2.gz JFNYVCFIJUIVDQ-CQSZACIVSA-N 2 0 341.406 1.432 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccccc2CC2CC[NH2+]CC2)CCO1 ZINC000669512668 485477513 /nfs/dbraw/zinc/47/75/13/485477513.db2.gz CCVLJCPQFIZCCA-KBXCAEBGSA-N 2 0 331.460 1.417 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC(C)([NH3+])CC1)c1ccc(Br)cc1 ZINC000669514577 485479933 /nfs/dbraw/zinc/47/99/33/485479933.db2.gz PGOSOHXYWWVZGV-OAHLLOKOSA-N 2 0 340.265 1.963 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[NH2+]C2CC2)CC1 ZINC000669540649 485524514 /nfs/dbraw/zinc/52/45/14/485524514.db2.gz YMNQURASSRYVDE-AWEZNQCLSA-N 2 0 331.464 1.658 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669573809 485607443 /nfs/dbraw/zinc/60/74/43/485607443.db2.gz AMPMJAPRLFKBSD-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669591330 485647782 /nfs/dbraw/zinc/64/77/82/485647782.db2.gz QKLKOWJFGICSAH-IAGOWNOFSA-N 2 0 338.496 1.130 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cn2c(n1)CCCC2 ZINC000337863839 485690903 /nfs/dbraw/zinc/69/09/03/485690903.db2.gz ZMZIGXQJBGOAHJ-UHFFFAOYSA-N 2 0 335.496 1.565 20 0 EDADRP Cc1ccc2nc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)cn2c1 ZINC000671190494 485887774 /nfs/dbraw/zinc/88/77/74/485887774.db2.gz CYYVPKCAWBMUJP-INIZCTEOSA-N 2 0 327.476 1.901 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C1 ZINC000668602790 485936653 /nfs/dbraw/zinc/93/66/53/485936653.db2.gz LEJXEHZFNDSMJM-HOTGVXAUSA-N 2 0 338.496 1.591 20 0 EDADRP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)Cn1cccn1 ZINC000397698082 486066508 /nfs/dbraw/zinc/06/65/08/486066508.db2.gz ZSKAFIYFFCWHMV-LJQANCHMSA-N 2 0 328.460 1.746 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1cccc2[nH]ccc21 ZINC000669788056 486166742 /nfs/dbraw/zinc/16/67/42/486166742.db2.gz XKADQRUNJQKRCV-UHFFFAOYSA-N 2 0 345.491 1.845 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000669483731 486249071 /nfs/dbraw/zinc/24/90/71/486249071.db2.gz KITSTLYQAHBBHS-MSOLQXFVSA-N 2 0 346.475 1.501 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000669490739 486263216 /nfs/dbraw/zinc/26/32/16/486263216.db2.gz XRGFRSNXZCZFJK-AWEZNQCLSA-N 2 0 326.485 1.032 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000669491359 486263301 /nfs/dbraw/zinc/26/33/01/486263301.db2.gz WPWLIAAAOODYSX-DLBZAZTESA-N 2 0 334.508 1.890 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000669491232 486263552 /nfs/dbraw/zinc/26/35/52/486263552.db2.gz QTFGXOGXXPAYMF-KRWDZBQOSA-N 2 0 331.464 1.345 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)Cn2ccnn2)CC1 ZINC000459716906 486459628 /nfs/dbraw/zinc/45/96/28/486459628.db2.gz QFZZERQIPNMSSJ-VQIMIIECSA-N 2 0 343.475 1.324 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390854541 486479338 /nfs/dbraw/zinc/47/93/38/486479338.db2.gz FUWYZCXJBQMKNB-OKZBNKHCSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H](C)[NH2+]1 ZINC000153232986 534416376 /nfs/dbraw/zinc/41/63/76/534416376.db2.gz NXCURYNUOGDBAA-IYBDPMFKSA-N 2 0 330.476 1.256 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)[NH+]1CCCC1 ZINC000188708825 521605412 /nfs/dbraw/zinc/60/54/12/521605412.db2.gz PYFLZUYYQYKWMD-MRXNPFEDSA-N 2 0 333.480 1.686 20 0 EDADRP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174729642 528464995 /nfs/dbraw/zinc/46/49/95/528464995.db2.gz JGSXHBDPOCDHNO-KRWDZBQOSA-N 2 0 326.529 1.449 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000236794433 535059127 /nfs/dbraw/zinc/05/91/27/535059127.db2.gz CWSJKWPBZXXFQF-IRXDYDNUSA-N 2 0 346.475 1.775 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C2CCC2)C1 ZINC000245994438 535116897 /nfs/dbraw/zinc/11/68/97/535116897.db2.gz AYUIADWSSXDHCE-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@]3(CC[NH2+]C3)C2)CC1 ZINC000333434639 535330539 /nfs/dbraw/zinc/33/05/39/535330539.db2.gz VEBNPYCPWJRIRK-SFHVURJKSA-N 2 0 338.496 1.271 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000347048231 535429482 /nfs/dbraw/zinc/42/94/82/535429482.db2.gz CKLAHHQPWWWVNF-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000353180551 535512471 /nfs/dbraw/zinc/51/24/71/535512471.db2.gz JPAKEUIMPQCNLH-UHFFFAOYSA-N 2 0 349.479 1.654 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[NH2+][C@H](C)C3)c2)CC1 ZINC000333357898 535751500 /nfs/dbraw/zinc/75/15/00/535751500.db2.gz SHUVBFYKMYXZLC-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cc1 ZINC000261641148 536019669 /nfs/dbraw/zinc/01/96/69/536019669.db2.gz GFZTVCOZQDWBJY-INIZCTEOSA-N 2 0 339.505 1.805 20 0 EDADRP CN(C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1)C1CC([NH3+])C1 ZINC000333292971 536022395 /nfs/dbraw/zinc/02/23/95/536022395.db2.gz IARXDEHELJKWOH-UHFFFAOYSA-N 2 0 338.496 1.400 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)CC[C@@H]21 ZINC000262804303 536380197 /nfs/dbraw/zinc/38/01/97/536380197.db2.gz PORIMHJHUOOWNC-INMHGKMJSA-N 2 0 331.464 1.364 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2)CC1 ZINC000261913858 536416498 /nfs/dbraw/zinc/41/64/98/536416498.db2.gz WSEXVWLMRZMOCH-MRXNPFEDSA-N 2 0 330.476 1.762 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCC4)ccn2)CC1 ZINC000270417949 536420282 /nfs/dbraw/zinc/42/02/82/536420282.db2.gz DOZPNUSPGPZJGT-QXAKKESOSA-N 2 0 342.487 1.881 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)[NH+](C)C1 ZINC000347305979 536777127 /nfs/dbraw/zinc/77/71/27/536777127.db2.gz LMNYFTRBWKNZPD-BHYGNILZSA-N 2 0 338.496 1.364 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1CC[NH+](CC(C)C)C1 ZINC000247313778 536859470 /nfs/dbraw/zinc/85/94/70/536859470.db2.gz MBDCRNANJFWQRY-IAGOWNOFSA-N 2 0 340.512 1.374 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCCCCCCO)CC2)C1 ZINC000743847077 579492295 /nfs/dbraw/zinc/49/22/95/579492295.db2.gz WMWMCFNCUXQYNX-LJQANCHMSA-N 2 0 341.540 1.656 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000743978136 579495914 /nfs/dbraw/zinc/49/59/14/579495914.db2.gz DDYOMHJRMUZXIR-HNNXBMFYSA-N 2 0 346.475 1.330 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000347065582 578645945 /nfs/dbraw/zinc/64/59/45/578645945.db2.gz IUJBFUKNEUQSSI-DLBZAZTESA-N 2 0 342.528 1.859 20 0 EDADRP COc1cc[nH+]c(N2CCN(c3nccc(N4CCCC4)n3)CC2)c1 ZINC000733189750 578751291 /nfs/dbraw/zinc/75/12/91/578751291.db2.gz HKZLQZSDVNQGRH-UHFFFAOYSA-N 2 0 340.431 1.807 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734272146 578804136 /nfs/dbraw/zinc/80/41/36/578804136.db2.gz BGNPFMMJYDUQGR-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=S)NC2CC[NH+](C)CC2)C1 ZINC000747659425 579652800 /nfs/dbraw/zinc/65/28/00/579652800.db2.gz JWYBBBXDNMLDOI-MRXNPFEDSA-N 2 0 342.553 1.388 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(F)(F)C(F)F ZINC000749366127 579723069 /nfs/dbraw/zinc/72/30/69/579723069.db2.gz UTXSFUURVWPWPZ-NSHDSACASA-N 2 0 327.366 1.761 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(CC[NH+](C)C)c2)C1 ZINC000757228737 579965919 /nfs/dbraw/zinc/96/59/19/579965919.db2.gz DPCKJDBZZUZQIJ-HNNXBMFYSA-N 2 0 336.484 1.544 20 0 EDADRP Cc1ccccc1[C@H](O)C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000764479205 580121378 /nfs/dbraw/zinc/12/13/78/580121378.db2.gz MHWJYQLMVMGXRU-MISYRCLQSA-N 2 0 331.504 1.986 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000767180077 580183227 /nfs/dbraw/zinc/18/32/27/580183227.db2.gz UYBADTIBFDSLHH-MRXNPFEDSA-N 2 0 346.475 1.345 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)C[NH2+][C@H](CO)C3CC3)CC2)cc1 ZINC000771820443 580295606 /nfs/dbraw/zinc/29/56/06/580295606.db2.gz REPDTHAQWIMOAF-LJQANCHMSA-N 2 0 345.487 1.390 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@@H]1COC(C)(C)O1 ZINC000783275611 580597401 /nfs/dbraw/zinc/59/74/01/580597401.db2.gz OIZAYWKGQAAVFK-OAHLLOKOSA-N 2 0 344.500 1.053 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCCC3(CCCC3)C1)C2=O ZINC000783543807 580601176 /nfs/dbraw/zinc/60/11/76/580601176.db2.gz ONKWRXZFWLDUGP-UHFFFAOYSA-N 2 0 334.464 1.616 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)ccc1F ZINC000893038173 590630048 /nfs/dbraw/zinc/63/00/48/590630048.db2.gz VYCRPUYXNSDTSL-PBHICJAKSA-N 2 0 334.439 1.733 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000891976057 590719267 /nfs/dbraw/zinc/71/92/67/590719267.db2.gz IOWQSXQXLGUPER-QGZVFWFLSA-N 2 0 332.448 1.351 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000891989746 590730520 /nfs/dbraw/zinc/73/05/20/590730520.db2.gz ZMXSYTSTCXSZQH-RDJZCZTQSA-N 2 0 330.476 1.806 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@H]1C(F)(F)F ZINC000892086018 590790077 /nfs/dbraw/zinc/79/00/77/590790077.db2.gz FYQGXFFHIFBOSZ-UONOGXRCSA-N 2 0 342.365 1.568 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000892148325 590822588 /nfs/dbraw/zinc/82/25/88/590822588.db2.gz XRXUSTJBVKBASA-DLBZAZTESA-N 2 0 334.464 1.232 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000892184026 590852714 /nfs/dbraw/zinc/85/27/14/590852714.db2.gz NTCDNIQXNLZBBW-BHYGNILZSA-N 2 0 338.496 1.304 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)C2 ZINC000892186651 590853330 /nfs/dbraw/zinc/85/33/30/590853330.db2.gz ATQPMXQTNUWJJL-IJLUTSLNSA-N 2 0 335.477 1.058 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCCCC1 ZINC000892204049 590863794 /nfs/dbraw/zinc/86/37/94/590863794.db2.gz HTNFEHLTHFKVJE-BRWVUGGUSA-N 2 0 338.496 1.101 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000892209664 590865019 /nfs/dbraw/zinc/86/50/19/590865019.db2.gz GGDLESUZAJUUES-OLZOCXBDSA-N 2 0 330.354 1.424 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000892236874 590880640 /nfs/dbraw/zinc/88/06/40/590880640.db2.gz UGBZPKNTZLMKNO-GXTWGEPZSA-N 2 0 349.504 1.686 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000892260831 590894358 /nfs/dbraw/zinc/89/43/58/590894358.db2.gz DRPHIJOIEHYJMF-MNQCNDSGSA-N 2 0 330.432 1.103 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892281035 590911243 /nfs/dbraw/zinc/91/12/43/590911243.db2.gz FCGUFWYGMJFGRS-WBVHZDCISA-N 2 0 340.512 1.552 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCCOCCC[NH3+] ZINC000892296262 590921893 /nfs/dbraw/zinc/92/18/93/590921893.db2.gz QQWNFWGNFXNIHH-AEFFLSMTSA-N 2 0 348.491 1.419 20 0 EDADRP Cc1cc(N)nc(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)[nH+]1 ZINC000892339738 590967880 /nfs/dbraw/zinc/96/78/80/590967880.db2.gz KCJRODRYEOQMDK-UHFFFAOYSA-N 2 0 327.432 1.936 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892391891 591007700 /nfs/dbraw/zinc/00/77/00/591007700.db2.gz MTHIEUZCLLEWOR-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000892438374 591028154 /nfs/dbraw/zinc/02/81/54/591028154.db2.gz ZCGPYIHGKUYFQU-SHTZXODSSA-N 2 0 347.463 1.439 20 0 EDADRP COCCC1(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000891349495 591054411 /nfs/dbraw/zinc/05/44/11/591054411.db2.gz IQIYXMYYVLTSHH-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891350308 591054792 /nfs/dbraw/zinc/05/47/92/591054792.db2.gz PLOBKPRGHFIKPF-CRAIPNDOSA-N 2 0 330.476 1.875 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2)N1CC[NH+](C)CC1 ZINC000892535288 591064090 /nfs/dbraw/zinc/06/40/90/591064090.db2.gz JCPPQEZSBAWQEW-BBWFWOEESA-N 2 0 343.487 1.482 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000892576285 591079268 /nfs/dbraw/zinc/07/92/68/591079268.db2.gz ASXJEQIMRLWYKQ-UHFFFAOYSA-N 3 0 330.520 1.865 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000891461409 591079324 /nfs/dbraw/zinc/07/93/24/591079324.db2.gz MAYLYCGMKRTWHD-RBSFLKMASA-N 2 0 336.505 1.997 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892587085 591083131 /nfs/dbraw/zinc/08/31/31/591083131.db2.gz IXTNNHQZFYFTCW-NOVWEMISSA-N 2 0 328.460 1.785 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000891507420 591099942 /nfs/dbraw/zinc/09/99/42/591099942.db2.gz QZZMIICRIUURMK-GOSISDBHSA-N 2 0 338.496 1.272 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000891516423 591103083 /nfs/dbraw/zinc/10/30/83/591103083.db2.gz GRHHEHKQUHRUKD-AAEUAGOBSA-N 2 0 336.402 1.639 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891536067 591111551 /nfs/dbraw/zinc/11/15/51/591111551.db2.gz CDGSEXRNUHYHIZ-QGZVFWFLSA-N 2 0 346.475 1.242 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000891538393 591113025 /nfs/dbraw/zinc/11/30/25/591113025.db2.gz XJNJYEMKYCGSTG-CABCVRRESA-N 2 0 326.485 1.175 20 0 EDADRP CCN(C(=O)NC1CC[NH+](CCOC(C)C)CC1)[C@@H]1CC[NH2+]C1 ZINC000891635124 591160236 /nfs/dbraw/zinc/16/02/36/591160236.db2.gz JSOWKZMXFZYQFC-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892804170 591183462 /nfs/dbraw/zinc/18/34/62/591183462.db2.gz AHSFTBRCHTWRGM-ZWKOTPCHSA-N 2 0 330.476 1.827 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000892804433 591184574 /nfs/dbraw/zinc/18/45/74/591184574.db2.gz FNQKRDOPKYXMTR-APWZRJJASA-N 2 0 342.487 1.828 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000892808410 591186997 /nfs/dbraw/zinc/18/69/97/591186997.db2.gz BAMRRXSXCDDRRM-RBUKOAKNSA-N 2 0 342.487 1.971 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)N3CCc4sc(C[NH3+])nc4C3)CC[C@H]21 ZINC000892878417 591211632 /nfs/dbraw/zinc/21/16/32/591211632.db2.gz SQMCMSODQGBCPG-WCQYABFASA-N 2 0 335.477 1.106 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000892883625 591216327 /nfs/dbraw/zinc/21/63/27/591216327.db2.gz XDOHKCWAAQXEOU-GFCCVEGCSA-N 2 0 337.493 1.542 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894175037 591217253 /nfs/dbraw/zinc/21/72/53/591217253.db2.gz BXFYILCUTSIMAU-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)CC1 ZINC000892924306 591226447 /nfs/dbraw/zinc/22/64/47/591226447.db2.gz UUTMKYNZCORUQA-MRXNPFEDSA-N 2 0 337.512 1.022 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000892933120 591229264 /nfs/dbraw/zinc/22/92/64/591229264.db2.gz FNZFAIYKCGCDBW-HOTGVXAUSA-N 2 0 338.496 1.528 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC3(C[C@@H]2F)OCCO3)CC1(C)C ZINC000894253070 591248618 /nfs/dbraw/zinc/24/86/18/591248618.db2.gz FTKGOAPYTALABG-GJZGRUSLSA-N 2 0 329.460 1.236 20 0 EDADRP COC[C@@H](CCO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894280356 591263527 /nfs/dbraw/zinc/26/35/27/591263527.db2.gz IGICDCZIMSMQOC-CYBMUJFWSA-N 2 0 346.374 1.557 20 0 EDADRP COC[C@@H](O)CC[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894369071 591292535 /nfs/dbraw/zinc/29/25/35/591292535.db2.gz QVQUEKNQVPBGOE-ZDUSSCGKSA-N 2 0 346.374 1.557 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1)[C@@H]1CCC[N@H+](C)C1 ZINC000895898911 591299231 /nfs/dbraw/zinc/29/92/31/591299231.db2.gz BYOCOGBHBNRIDP-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000894447892 591313935 /nfs/dbraw/zinc/31/39/35/591313935.db2.gz ISYOHVGWWWINBC-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH2+]C(C)C)c2ccc(OC)cc2)C1 ZINC000896259427 591400811 /nfs/dbraw/zinc/40/08/11/591400811.db2.gz VJAAFFHXSNWDIS-WMZOPIPTSA-N 2 0 349.475 1.571 20 0 EDADRP Cn1ncc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1C1CC1 ZINC000894896933 591463298 /nfs/dbraw/zinc/46/32/98/591463298.db2.gz VTEPMCLBUHEBTN-UHFFFAOYSA-N 2 0 347.507 1.184 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000896451797 591466480 /nfs/dbraw/zinc/46/64/80/591466480.db2.gz IGDZLAQHMYPZAT-KESTWPANSA-N 2 0 332.488 1.904 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC[NH+](C)CC1 ZINC000894951252 591496915 /nfs/dbraw/zinc/49/69/15/591496915.db2.gz JQIMYBBGLJHIJE-HUUCEWRRSA-N 2 0 340.537 1.692 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000897515137 591515405 /nfs/dbraw/zinc/51/54/05/591515405.db2.gz JRTUQYPIPQXKCO-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC12CCCCC2 ZINC000897657966 591608794 /nfs/dbraw/zinc/60/87/94/591608794.db2.gz VPHYOXDLHWQZNY-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)(C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000896870983 591640904 /nfs/dbraw/zinc/64/09/04/591640904.db2.gz VRYOXUSZYUVHON-UHFFFAOYSA-N 2 0 325.478 1.711 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC(C)(C)C1CCOCC1 ZINC000897002042 591709664 /nfs/dbraw/zinc/70/96/64/591709664.db2.gz LTCHDDQHCQIGQX-UHFFFAOYSA-N 2 0 342.528 1.574 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2COC3(CN(C(=O)OC(C)(C)C)C3)C2)CC1 ZINC000895353501 591725793 /nfs/dbraw/zinc/72/57/93/591725793.db2.gz BEUGJMOGRJSXNW-OAHLLOKOSA-N 2 0 339.480 1.696 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000895460995 591765499 /nfs/dbraw/zinc/76/54/99/591765499.db2.gz JIYNJMGYGMLLCK-RBUKOAKNSA-N 2 0 345.487 1.689 20 0 EDADRP COC(=O)c1c[nH]c(CN2CCN(c3nccn3C)CC2)c1C1CC1 ZINC000895472852 591769480 /nfs/dbraw/zinc/76/94/80/591769480.db2.gz JYEWPHSXHQDKJR-UHFFFAOYSA-N 2 0 343.431 1.734 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@H]2C[C@H](O)C2)c2c1OC(F)(F)O2 ZINC000895474103 591770587 /nfs/dbraw/zinc/77/05/87/591770587.db2.gz SQTHQVCEJJGJIC-MJHDQNEOSA-N 2 0 328.359 1.930 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CCCCCC1 ZINC000899977815 591853950 /nfs/dbraw/zinc/85/39/50/591853950.db2.gz SWXZCIBXFSNWNR-GOSISDBHSA-N 2 0 325.497 1.604 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000899601358 591866928 /nfs/dbraw/zinc/86/69/28/591866928.db2.gz LVZVBOQMAMTNPB-HOTGVXAUSA-N 2 0 340.537 1.188 20 0 EDADRP [NH3+]CC(=O)Nc1cccc(-c2cn(C[C@H]3CCCC[NH2+]C3)nn2)c1 ZINC000899741770 591928302 /nfs/dbraw/zinc/92/83/02/591928302.db2.gz QLMRFZPTXNHMJS-ZDUSSCGKSA-N 2 0 328.420 1.232 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccsc1 ZINC000900192586 591935913 /nfs/dbraw/zinc/93/59/13/591935913.db2.gz PDDGVIBXEFYISW-UXLLHSPISA-N 2 0 339.505 1.702 20 0 EDADRP COc1c[nH]c(CO)c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1=O ZINC000902169040 591937198 /nfs/dbraw/zinc/93/71/98/591937198.db2.gz BWOOGNUMAHHLQZ-CQSZACIVSA-N 2 0 335.448 1.040 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)C3([NH3+])CC3)CC2)cc1 ZINC000902335267 591980627 /nfs/dbraw/zinc/98/06/27/591980627.db2.gz UEMBJARZUHGKAK-AWEZNQCLSA-N 2 0 337.489 1.618 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000902336086 591980791 /nfs/dbraw/zinc/98/07/91/591980791.db2.gz DNSJXJCJYSOMDI-OAHLLOKOSA-N 2 0 331.526 1.558 20 0 EDADRP C[C@H]([NH2+]CCCNS(=O)(=O)c1ccccc1Cl)C1([NH3+])CC1 ZINC000902384208 591989199 /nfs/dbraw/zinc/98/91/99/591989199.db2.gz OOKZXJTURNFFOM-NSHDSACASA-N 2 0 331.869 1.478 20 0 EDADRP C[C@@H]1CN(c2cc(N3CC[C@H](C[NH3+])[C@H](C)C3)ncn2)CC[C@H]1C[NH3+] ZINC000900385952 592002860 /nfs/dbraw/zinc/00/28/60/592002860.db2.gz YVUXLJNVTPHJEV-FPCVCCKLSA-N 2 0 332.496 1.319 20 0 EDADRP CN(C)c1nc(C(F)(F)F)ccc1C[NH2+]CCOCC[NH+](C)C ZINC000902485853 592005381 /nfs/dbraw/zinc/00/53/81/592005381.db2.gz AFPUYQGLGGYYRQ-UHFFFAOYSA-N 2 0 334.386 1.834 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccco1 ZINC000900406654 592010196 /nfs/dbraw/zinc/01/01/96/592010196.db2.gz TXRHLUXPRNPVGA-CRAIPNDOSA-N 2 0 337.464 1.626 20 0 EDADRP C[NH+](C)CCN(C(=O)c1ccnn1CC[NH+](C)C)c1ccccc1 ZINC000900430800 592016089 /nfs/dbraw/zinc/01/60/89/592016089.db2.gz SXLULJLNTADTLK-UHFFFAOYSA-N 2 0 329.448 1.653 20 0 EDADRP CCC/C=C/[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455325 592022117 /nfs/dbraw/zinc/02/21/17/592022117.db2.gz RDEBFGPHCKCXFA-MJICGBHWSA-N 2 0 346.475 1.427 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000902741072 592055140 /nfs/dbraw/zinc/05/51/40/592055140.db2.gz KPGJNMYFZGDJDD-QFBILLFUSA-N 2 0 342.491 1.845 20 0 EDADRP COC(=O)c1ccccc1CONC(=[NH2+])[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807274 592062863 /nfs/dbraw/zinc/06/28/63/592062863.db2.gz DDWWIWANJURYEP-DZGCQCFKSA-N 2 0 333.388 1.335 20 0 EDADRP COC(=O)c1cc(CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)cs1 ZINC000902806120 592062926 /nfs/dbraw/zinc/06/29/26/592062926.db2.gz KYIQYWHYZBEMBO-NWDGAFQWSA-N 2 0 339.417 1.396 20 0 EDADRP [NH2+]=C(NOCc1noc(C2CCCCC2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807479 592063566 /nfs/dbraw/zinc/06/35/66/592063566.db2.gz HOZNZFSUMOZKBA-UONOGXRCSA-N 2 0 349.435 1.979 20 0 EDADRP CN(C(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656618 592082963 /nfs/dbraw/zinc/08/29/63/592082963.db2.gz MHJZGHSERYSHSD-IBGZPJMESA-N 2 0 349.475 1.437 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@H]1C(C)C ZINC000903116967 592123341 /nfs/dbraw/zinc/12/33/41/592123341.db2.gz BSSFDYDQCJXESJ-NCXUSEDFSA-N 2 0 337.508 1.457 20 0 EDADRP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000903131871 592124147 /nfs/dbraw/zinc/12/41/47/592124147.db2.gz XGZXWYNEVBCKJO-JJXSEGSLSA-N 2 0 333.480 1.838 20 0 EDADRP CC[NH+]1CCC([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC1 ZINC000903191002 592135909 /nfs/dbraw/zinc/13/59/09/592135909.db2.gz KJQRYTJSPQURCL-UHFFFAOYSA-N 2 0 331.526 1.701 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900896352 592160367 /nfs/dbraw/zinc/16/03/67/592160367.db2.gz GKIMUFYVFRKNHO-POAQFYNOSA-N 2 0 345.487 1.565 20 0 EDADRP C[C@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](C[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000903442462 592172166 /nfs/dbraw/zinc/17/21/66/592172166.db2.gz RJGNEOSNAALNPR-INMHGKMJSA-N 2 0 348.466 1.898 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN[C@H]1CC[NH2+]C12CCCC2)c1ccccc1 ZINC000903484682 592177804 /nfs/dbraw/zinc/17/78/04/592177804.db2.gz VEBUJZNEBGMYTD-MSOLQXFVSA-N 2 0 344.503 1.670 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000903493831 592186137 /nfs/dbraw/zinc/18/61/37/592186137.db2.gz XHBCVAIXPOFZFF-FCEWJHQRSA-N 2 0 330.428 1.376 20 0 EDADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)c1 ZINC000903496655 592187917 /nfs/dbraw/zinc/18/79/17/592187917.db2.gz XMSBUHYWNUQNFH-RBSFLKMASA-N 2 0 349.475 1.798 20 0 EDADRP COc1cc(CN2CC[C@@H](NC(=O)Cc3c[nH]cn3)C2)cc(OC)c1 ZINC000901011030 592195175 /nfs/dbraw/zinc/19/51/75/592195175.db2.gz WPOBENKWDIPNRC-CQSZACIVSA-N 2 0 344.415 1.360 20 0 EDADRP [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)CCC[NH+]2CCCC2)CCC1 ZINC000903547937 592205421 /nfs/dbraw/zinc/20/54/21/592205421.db2.gz YAKRSPXQRBGMLR-INIZCTEOSA-N 2 0 343.537 1.786 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000901078980 592226446 /nfs/dbraw/zinc/22/64/46/592226446.db2.gz SWDQTVOEWQRNRS-KURKYZTESA-N 2 0 335.492 1.717 20 0 EDADRP Fc1cccc([C@@H]2C[NH2+]CCN2Cc2ccc(N3CC[NH2+]CC3)o2)c1 ZINC000904334414 592233257 /nfs/dbraw/zinc/23/32/57/592233257.db2.gz VMBDDZRLEXAYNF-SFHVURJKSA-N 2 0 344.434 1.975 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000904357975 592238499 /nfs/dbraw/zinc/23/84/99/592238499.db2.gz FZIBTSHNRTZZIN-UHFFFAOYSA-N 2 0 344.503 1.694 20 0 EDADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO)[NH+](C)C ZINC000901129228 592244249 /nfs/dbraw/zinc/24/42/49/592244249.db2.gz BMAGLGIAXYSWSU-KURKYZTESA-N 2 0 333.476 1.326 20 0 EDADRP Cc1nn(-c2ccc(F)cc2F)c(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904396543 592244396 /nfs/dbraw/zinc/24/43/96/592244396.db2.gz KMTOZNMGKROFSC-UHFFFAOYSA-N 2 0 349.429 1.762 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906663058 592245220 /nfs/dbraw/zinc/24/52/20/592245220.db2.gz CMLUICFJCMLMHK-XJKSGUPXSA-N 2 0 346.475 1.760 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3CN2C(=O)C(F)(F)F)C1 ZINC000904381455 592247680 /nfs/dbraw/zinc/24/76/80/592247680.db2.gz PPMKWAVEACMYJD-GHEKHTLGSA-N 2 0 331.382 1.455 20 0 EDADRP c1[nH]nc(-c2ccc3c(c2)OCCO3)c1C[N@@H+]1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000904421078 592258743 /nfs/dbraw/zinc/25/87/43/592258743.db2.gz NZFDADJDYBYRFQ-LSDHHAIUSA-N 2 0 340.427 1.889 20 0 EDADRP O=C([C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1)N1CCCC1 ZINC000903728445 592285994 /nfs/dbraw/zinc/28/59/94/592285994.db2.gz BMHZNLHAVMMPSQ-IRXDYDNUSA-N 2 0 335.492 1.480 20 0 EDADRP C(OC1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)[C@H]1CCCCO1 ZINC000903731759 592287998 /nfs/dbraw/zinc/28/79/98/592287998.db2.gz CLCROIQIBIDKRB-GUDVDZBRSA-N 2 0 338.492 1.805 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)N2CC[C@H]3[C@@H]2CCC[N@@H+]3CCO)cc1 ZINC000904607898 592295010 /nfs/dbraw/zinc/29/50/10/592295010.db2.gz VRLUFHGERRXYTL-IRXDYDNUSA-N 2 0 346.475 1.943 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)C[C@@]2(O)CCC[NH+](C)C2)[C@H]1c1ccccc1 ZINC000901233154 592295987 /nfs/dbraw/zinc/29/59/87/592295987.db2.gz KHGJHFCSLAMOAH-QRQLOZEOSA-N 2 0 331.460 1.395 20 0 EDADRP c1nnc([C@@H]2CCC[N@@H+](C[C@H]3CC4(CO3)CC[NH2+]CC4)C2)n1C1CC1 ZINC000903752907 592296824 /nfs/dbraw/zinc/29/68/24/592296824.db2.gz PZFMZYAGSRYKJG-NVXWUHKLSA-N 2 0 345.491 1.951 20 0 EDADRP CCO[C@H]1C[NH2+][C@H](c2nc(-c3ccnc(OCC[NH+](C)C)c3)no2)C1 ZINC000904628540 592297947 /nfs/dbraw/zinc/29/79/47/592297947.db2.gz VRXGANZEQOYMPK-KGLIPLIRSA-N 2 0 347.419 1.512 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741221 592302662 /nfs/dbraw/zinc/30/26/62/592302662.db2.gz ONSRJWFBPJGSGO-RBUKOAKNSA-N 2 0 338.540 1.103 20 0 EDADRP C[C@@H](c1cccnc1)N1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903741696 592304575 /nfs/dbraw/zinc/30/45/75/592304575.db2.gz RMFKVCBGWNJPMQ-PKOBYXMFSA-N 2 0 344.503 1.919 20 0 EDADRP CCOCCCNC(=O)[C@H](C)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794467 592316671 /nfs/dbraw/zinc/31/66/71/592316671.db2.gz WIVXUWFDXAQEAS-KRWDZBQOSA-N 2 0 347.503 1.910 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903781863 592321140 /nfs/dbraw/zinc/32/11/40/592321140.db2.gz CAKKQQFXQMVORR-QYZOEREBSA-N 2 0 331.460 1.410 20 0 EDADRP OC[C@@H]1c2ccccc2OCC[N@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903788312 592322725 /nfs/dbraw/zinc/32/27/25/592322725.db2.gz IIIBLQCVFCKNOA-DOTOQJQBSA-N 2 0 332.444 1.573 20 0 EDADRP COc1ccc(C[N@H+](CCCO)C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903831359 592336790 /nfs/dbraw/zinc/33/67/90/592336790.db2.gz IRTAQTCNWYXJCC-RTBURBONSA-N 2 0 334.460 1.648 20 0 EDADRP O=C(CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCCC1 ZINC000903878608 592358727 /nfs/dbraw/zinc/35/87/27/592358727.db2.gz JPWGOSJQGAYUHY-AYHJJNSGSA-N 2 0 334.508 1.147 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@@H](O)C2(O)CCC2)[C@H](c2ccccc2)C1 ZINC000905035054 592373056 /nfs/dbraw/zinc/37/30/56/592373056.db2.gz NTSCDXLZOZORIT-RBUKOAKNSA-N 2 0 347.503 1.231 20 0 EDADRP C[N@H+](C[C@@H]1C[C@H](F)CN1c1ccncn1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903928111 592381279 /nfs/dbraw/zinc/38/12/79/592381279.db2.gz VHMSPWNIDHNOKU-QPBSCJPLSA-N 2 0 333.455 1.856 20 0 EDADRP COCC(COC)[NH+]1CCN(Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000903929405 592382167 /nfs/dbraw/zinc/38/21/67/592382167.db2.gz DRAVBLRRPFSUIO-UHFFFAOYSA-N 2 0 333.476 1.111 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000903936078 592386417 /nfs/dbraw/zinc/38/64/17/592386417.db2.gz XYTDTHVBQAVURF-OAHLLOKOSA-N 2 0 328.420 1.297 20 0 EDADRP CC[NH+](CC)Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905029193 592386544 /nfs/dbraw/zinc/38/65/44/592386544.db2.gz ZTXJPUYAUJMJAR-GOSISDBHSA-N 2 0 336.476 1.520 20 0 EDADRP C[C@@H](c1ccccc1)N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903937744 592387339 /nfs/dbraw/zinc/38/73/39/592387339.db2.gz QNTSSBUCRHHLAI-ZWKOTPCHSA-N 2 0 344.503 1.563 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000903917754 592390282 /nfs/dbraw/zinc/39/02/82/592390282.db2.gz NBONSBTVOIRXKQ-GVDBMIGSSA-N 3 0 332.496 1.414 20 0 EDADRP COC(=O)c1cn([C@@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nn1 ZINC000903917522 592390757 /nfs/dbraw/zinc/39/07/57/592390757.db2.gz ZFNLHHQJGPYJNB-JALIKCBVSA-N 2 0 333.436 1.232 20 0 EDADRP COCC[N@@H+](Cc1ccc(C)cc1C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903964153 592402553 /nfs/dbraw/zinc/40/25/53/592402553.db2.gz RFXIIJUKMURBDC-GOSISDBHSA-N 2 0 347.503 1.949 20 0 EDADRP COc1ccc(C[NH+]2CCC(C[NH2+]C[C@H](O)C3(O)CCC3)CC2)cc1 ZINC000905073961 592403369 /nfs/dbraw/zinc/40/33/69/592403369.db2.gz XCFQVHXTJFDSKZ-IBGZPJMESA-N 2 0 348.487 1.773 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)C1(O)CCCC1 ZINC000905098496 592404621 /nfs/dbraw/zinc/40/46/21/592404621.db2.gz SWBPVCLQJLLHFO-RTBURBONSA-N 2 0 332.488 1.807 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000906887976 592406027 /nfs/dbraw/zinc/40/60/27/592406027.db2.gz AZGKIQXARHHTTD-MRXNPFEDSA-N 2 0 339.524 1.802 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@@H](Cc3nccs3)C2)C1 ZINC000903987613 592406315 /nfs/dbraw/zinc/40/63/15/592406315.db2.gz HWAKVKWKKJPALJ-GJZGRUSLSA-N 2 0 336.505 1.595 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)CC1(CO)CCCC1)N1CC[NH+](C)CC1 ZINC000905111183 592411814 /nfs/dbraw/zinc/41/18/14/592411814.db2.gz QKJOJKVLNSJLPJ-QZTJIDSGSA-N 2 0 341.540 1.152 20 0 EDADRP CC(C)(O)CN1CC[C@H]([NH2+]C[C@](C)(O)C(F)(F)C(F)(F)F)C1 ZINC000905398795 592520732 /nfs/dbraw/zinc/52/07/32/592520732.db2.gz GTOFJMCCPCOJFY-ONGXEEELSA-N 2 0 334.329 1.370 20 0 EDADRP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)CC2 ZINC000908505742 592524015 /nfs/dbraw/zinc/52/40/15/592524015.db2.gz LWYRDQRTUAWZKG-FUHWJXTLSA-N 2 0 337.508 1.555 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C1 ZINC000907152033 592538609 /nfs/dbraw/zinc/53/86/09/592538609.db2.gz XLORPXURWHGKJM-ZWKOTPCHSA-N 2 0 330.476 1.041 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C(C)C ZINC000910993911 592908219 /nfs/dbraw/zinc/90/82/19/592908219.db2.gz SQQVOBSDFBWBKB-DLBZAZTESA-N 2 0 346.475 1.004 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1)C(C)(C)C ZINC000911079266 592921155 /nfs/dbraw/zinc/92/11/55/592921155.db2.gz WHMRXTMPOHDCQW-LSDHHAIUSA-N 2 0 340.512 1.117 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC[C@H]([NH3+])C1)Cc1ccc(Br)cc1 ZINC000911623419 592967700 /nfs/dbraw/zinc/96/77/00/592967700.db2.gz NKEOKBXFFYROAG-KBPBESRZSA-N 2 0 340.265 1.659 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000911670473 592975495 /nfs/dbraw/zinc/97/54/95/592975495.db2.gz MHLZNKTUKNSRDL-VMPITWQZSA-N 2 0 331.460 1.838 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911830465 593018806 /nfs/dbraw/zinc/01/88/06/593018806.db2.gz ARLIISCQTQMKKF-XDMRBOTDSA-N 2 0 329.366 1.607 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000911838087 593020697 /nfs/dbraw/zinc/02/06/97/593020697.db2.gz YVVFHVNNLRVLFV-SJLPKXTDSA-N 2 0 333.476 1.803 20 0 EDADRP [NH3+]Cc1ccc2nc(C(=O)N3CCC([NH2+]CC4CC4)CC3)cn2c1 ZINC000911840616 593021077 /nfs/dbraw/zinc/02/10/77/593021077.db2.gz JGSQKCYTHITRPO-UHFFFAOYSA-N 2 0 327.432 1.397 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000911866666 593024429 /nfs/dbraw/zinc/02/44/29/593024429.db2.gz ATGWUNZTAVZBIG-KRWDZBQOSA-N 2 0 333.476 1.770 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000912284000 593082704 /nfs/dbraw/zinc/08/27/04/593082704.db2.gz LZKNHJVCARLVRT-KRWDZBQOSA-N 2 0 338.540 1.639 20 0 EDADRP CN(CCC[N@H+](C)C[C@H](O)c1ccc(F)c(F)c1)CC[NH+](C)C ZINC000808781862 593287949 /nfs/dbraw/zinc/28/79/49/593287949.db2.gz VANPWAHNLMNNOT-KRWDZBQOSA-N 2 0 329.435 1.814 20 0 EDADRP Cc1ccc(NC(=O)C(=O)NCC[C@@H]2CCC[N@H+](C)C2)c(N(C)C)n1 ZINC000839591949 593346051 /nfs/dbraw/zinc/34/60/51/593346051.db2.gz MTYQUYSAOVAPGS-AWEZNQCLSA-N 2 0 347.463 1.243 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000839727494 593374668 /nfs/dbraw/zinc/37/46/68/593374668.db2.gz FNMBNSZECXDCGW-GDBMZVCRSA-N 2 0 325.522 1.804 20 0 EDADRP CC(C)[C@@H]1N(CN2CC[C@H](c3nccn3C)C2)C(=O)[C@]12CCCO2 ZINC000840039160 593404461 /nfs/dbraw/zinc/40/44/61/593404461.db2.gz ZREBPSCVPRZELT-MPGHIAIKSA-N 2 0 332.448 1.583 20 0 EDADRP S=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CCC1 ZINC000814196424 593578231 /nfs/dbraw/zinc/57/82/31/593578231.db2.gz CAKYEMZWSUAQDG-UHFFFAOYSA-N 2 0 333.505 1.610 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)c2cccc(F)c2)CC[NH2+]CC1 ZINC000817888717 593645379 /nfs/dbraw/zinc/64/53/79/593645379.db2.gz JCFYMHBBDMIUKV-BBRMVZONSA-N 2 0 338.423 1.770 20 0 EDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000817911909 593647832 /nfs/dbraw/zinc/64/78/32/593647832.db2.gz NMIUEKWQCAMANF-STQMWFEESA-N 2 0 339.452 1.500 20 0 EDADRP Cn1ncc(CCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000817933450 593649955 /nfs/dbraw/zinc/64/99/55/593649955.db2.gz FBBGXXIRLVLTOY-FUHWJXTLSA-N 2 0 327.432 1.593 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1 ZINC000819388328 593753225 /nfs/dbraw/zinc/75/32/25/593753225.db2.gz FLYOTJACTFQDSP-QGZVFWFLSA-N 2 0 325.884 1.989 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1ccc(-c2nn[nH]n2)s1)N1CC[NH+](C)CC1 ZINC000820021541 593783950 /nfs/dbraw/zinc/78/39/50/593783950.db2.gz VVEJXWGLQURFRW-AWEZNQCLSA-N 2 0 349.508 1.290 20 0 EDADRP CC(C)OCCN1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000820145653 593795063 /nfs/dbraw/zinc/79/50/63/593795063.db2.gz CSJNGPVQGNWXEH-UHFFFAOYSA-N 2 0 344.463 1.846 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C)N1CC[NH+](C)CC1 ZINC000820810398 593895150 /nfs/dbraw/zinc/89/51/50/593895150.db2.gz WGPOEQBTYQGDHL-HBFSDRIKSA-N 2 0 330.520 1.875 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cc1-c1nn[nH]n1 ZINC000821803018 593943194 /nfs/dbraw/zinc/94/31/94/593943194.db2.gz AQCGUXYHWRVOIY-UONOGXRCSA-N 2 0 330.436 1.838 20 0 EDADRP O=C(C[NH+]1CCCC1)NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000821816508 593947550 /nfs/dbraw/zinc/94/75/50/593947550.db2.gz ODGRUMCICKIORG-SFHVURJKSA-N 2 0 331.460 1.355 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2-c2nn[nH]n2)C1 ZINC000821189481 593986324 /nfs/dbraw/zinc/98/63/24/593986324.db2.gz MSZYUYFNQKAMOR-INIZCTEOSA-N 2 0 344.463 1.799 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821188656 593986364 /nfs/dbraw/zinc/98/63/64/593986364.db2.gz BIIZGEOKDCLNRV-KRWDZBQOSA-N 2 0 344.463 1.799 20 0 EDADRP Cc1cn2ccc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2n1 ZINC000825146262 594136222 /nfs/dbraw/zinc/13/62/22/594136222.db2.gz CHRRBZQBTMHIRR-IAGOWNOFSA-N 2 0 343.475 1.454 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)c3cc(-n4ccnc4)ccc3O)C[C@@H]2C1 ZINC000823028527 594139848 /nfs/dbraw/zinc/13/98/48/594139848.db2.gz HNUFKGMKVATZLW-KGLIPLIRSA-N 2 0 326.400 1.602 20 0 EDADRP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1-c1nn[nH]n1 ZINC000826201942 594377202 /nfs/dbraw/zinc/37/72/02/594377202.db2.gz IUPKNMRDOLTMQD-LBPRGKRZSA-N 2 0 330.436 1.695 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CCCCC[NH3+] ZINC000830345648 594379874 /nfs/dbraw/zinc/37/98/74/594379874.db2.gz LLQVLLQLBXNJBC-QGZVFWFLSA-N 2 0 332.492 1.832 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)NCCNc2cc[nH+]cc2)cc(Cl)n1 ZINC000827433883 594671593 /nfs/dbraw/zinc/67/15/93/594671593.db2.gz NCSJVJLFCCJAEP-CQSZACIVSA-N 2 0 333.823 1.479 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)CC1 ZINC000831509702 594679855 /nfs/dbraw/zinc/67/98/55/594679855.db2.gz GQBLKLIURBAFLQ-GOSISDBHSA-N 2 0 334.439 1.857 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000841020467 594840897 /nfs/dbraw/zinc/84/08/97/594840897.db2.gz RQQGQQGRMDYWJO-KBPBESRZSA-N 2 0 332.448 1.635 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C[C@H]1c1ccccc1 ZINC000841833483 594959638 /nfs/dbraw/zinc/95/96/38/594959638.db2.gz ZQOFLCHCFUYOBL-OKZBNKHCSA-N 2 0 328.460 1.607 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847861 594964633 /nfs/dbraw/zinc/96/46/33/594964633.db2.gz WMWWTEMDRFSEQV-DLBZAZTESA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000841847834 594964862 /nfs/dbraw/zinc/96/48/62/594964862.db2.gz VGTJRSBNISOQHV-CXAGYDPISA-N 2 0 345.443 1.922 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCc2ccc(CC[NH3+])cc2)CCSC1 ZINC000841850675 594965282 /nfs/dbraw/zinc/96/52/82/594965282.db2.gz BYDLQCUECUNIKZ-QGZVFWFLSA-N 2 0 336.505 1.424 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000841856584 594966539 /nfs/dbraw/zinc/96/65/39/594966539.db2.gz SRXCLQWNJDTKQF-OKZBNKHCSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@]1(CNC(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898223 594976889 /nfs/dbraw/zinc/97/68/89/594976889.db2.gz KPYBDEHWFQTFRP-IEBWSBKVSA-N 2 0 330.476 1.935 20 0 EDADRP CC(C)[NH2+]CCc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000843208168 595036054 /nfs/dbraw/zinc/03/60/54/595036054.db2.gz IENOEWOGBJGXPV-UHFFFAOYSA-N 2 0 330.436 1.424 20 0 EDADRP O=C([C@H]1CCCN(Cc2cnc(Cl)s2)C1)N1CC[NH2+]CC1 ZINC000843348012 595081984 /nfs/dbraw/zinc/08/19/84/595081984.db2.gz ZRDPNLMKADHRJP-NSHDSACASA-N 2 0 328.869 1.440 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000843454212 595116600 /nfs/dbraw/zinc/11/66/00/595116600.db2.gz NVBBWBMFIUBUKX-QGZVFWFLSA-N 2 0 325.416 1.633 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCc2ccc(CC[NH3+])cc2)cc1 ZINC000842702595 595174416 /nfs/dbraw/zinc/17/44/16/595174416.db2.gz NJOBOHXYALMGKY-UHFFFAOYSA-N 2 0 347.484 1.728 20 0 EDADRP C[C@@H]1CCC[C@H](NC(=O)CN2CC[NH+](CCCCCC[NH3+])CC2)C1 ZINC000846221006 595177598 /nfs/dbraw/zinc/17/75/98/595177598.db2.gz FVVJDYPGAOISBE-MSOLQXFVSA-N 2 0 338.540 1.818 20 0 EDADRP Cc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000843047618 595272933 /nfs/dbraw/zinc/27/29/33/595272933.db2.gz YSFYAHDQIQZTKP-ZDUSSCGKSA-N 2 0 339.871 1.026 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C[C@H]([NH3+])C2CC2)c1 ZINC000844169938 595290483 /nfs/dbraw/zinc/29/04/83/595290483.db2.gz VHUFEYCOQRGQPY-KRWDZBQOSA-N 2 0 346.475 1.824 20 0 EDADRP CN1c2ccc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc2CCC1=O ZINC000843125290 595292860 /nfs/dbraw/zinc/29/28/60/595292860.db2.gz RBBAUKWNBPQLJN-KRWDZBQOSA-N 2 0 343.471 1.783 20 0 EDADRP C[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000844177257 595292923 /nfs/dbraw/zinc/29/29/23/595292923.db2.gz DQQFJBXJLAIVDV-QAPCUYQASA-N 2 0 331.460 1.318 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000844189952 595297372 /nfs/dbraw/zinc/29/73/72/595297372.db2.gz YCTMFIAOAANEAY-CVEARBPZSA-N 2 0 339.867 1.828 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192064 595298464 /nfs/dbraw/zinc/29/84/64/595298464.db2.gz GSYFQIVYQPCBED-GOSISDBHSA-N 2 0 346.475 1.536 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000844199043 595300543 /nfs/dbraw/zinc/30/05/43/595300543.db2.gz SQVRPYYRZWAQRY-MJGOQNOKSA-N 2 0 337.508 1.997 20 0 EDADRP COc1ccc(CNC(=[NH2+])NCCNc2cc[nH+]cc2)cc1OC ZINC000849065150 595477161 /nfs/dbraw/zinc/47/71/61/595477161.db2.gz WXSMNSRADILOSO-UHFFFAOYSA-N 2 0 329.404 1.247 20 0 EDADRP CCc1ccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000849072752 595477923 /nfs/dbraw/zinc/47/79/23/595477923.db2.gz DFMYDECFOAHAPY-OAHLLOKOSA-N 2 0 331.464 1.773 20 0 EDADRP Cn1nccc1CCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849084977 595479384 /nfs/dbraw/zinc/47/93/84/595479384.db2.gz GDAZXEYHMFMWCY-UHFFFAOYSA-N 2 0 340.475 1.741 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NCc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000849095525 595481041 /nfs/dbraw/zinc/48/10/41/595481041.db2.gz BDYUKQDTOMRQPB-INIZCTEOSA-N 2 0 346.475 1.906 20 0 EDADRP COCC[NH+]1CCC(OC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000847886340 595497193 /nfs/dbraw/zinc/49/71/93/595497193.db2.gz UOIBYHDYKVTMJP-KRWDZBQOSA-N 2 0 330.444 1.853 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)o2)[C@@H]1CCC[NH3+] ZINC000852759636 595530525 /nfs/dbraw/zinc/53/05/25/595530525.db2.gz RLHJBENZSQDPQI-UKRRQHHQSA-N 2 0 343.493 1.869 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482435 595547096 /nfs/dbraw/zinc/54/70/96/595547096.db2.gz BHEBAYOWHIDBLD-HZPDHXFCSA-N 2 0 335.496 1.159 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000860028189 595548396 /nfs/dbraw/zinc/54/83/96/595548396.db2.gz NHOVNRXWTUBICU-QGZVFWFLSA-N 2 0 325.497 1.020 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849495115 595550887 /nfs/dbraw/zinc/55/08/87/595550887.db2.gz BJCCALLIKFDJEL-IAGOWNOFSA-N 2 0 333.480 1.008 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849498080 595552176 /nfs/dbraw/zinc/55/21/76/595552176.db2.gz JAPGQAKJUDQBTN-ROUUACIJSA-N 2 0 347.507 1.304 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000849527724 595559914 /nfs/dbraw/zinc/55/99/14/595559914.db2.gz JXXLWVVTQAMPFJ-BZSNNMDCSA-N 2 0 345.491 1.151 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849541608 595560802 /nfs/dbraw/zinc/56/08/02/595560802.db2.gz PKQNZFMAKDHNIF-UAGQMJEPSA-N 2 0 335.496 1.302 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849569340 595572127 /nfs/dbraw/zinc/57/21/27/595572127.db2.gz UEQAIUWMSVQAIL-IRXDYDNUSA-N 2 0 335.496 1.254 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)C1 ZINC000849577370 595579127 /nfs/dbraw/zinc/57/91/27/595579127.db2.gz HWNIAZAEQIJSBN-RCCFBDPRSA-N 2 0 347.507 1.444 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC(C)(C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849599592 595588118 /nfs/dbraw/zinc/58/81/18/595588118.db2.gz CRRQXARQGCKZBY-IRXDYDNUSA-N 2 0 349.523 1.690 20 0 EDADRP O[C@@H](C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccccn1 ZINC000853098224 595663809 /nfs/dbraw/zinc/66/38/09/595663809.db2.gz LNBXAWLRRHRHTM-IBGZPJMESA-N 2 0 341.459 1.312 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cn(C)nc2Br)CC1 ZINC000858096391 595699052 /nfs/dbraw/zinc/69/90/52/595699052.db2.gz BDQSDCRTKMFHPB-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000853247931 595719149 /nfs/dbraw/zinc/71/91/49/595719149.db2.gz GOVXKCZQUJTPKD-UHFFFAOYSA-N 2 0 347.385 1.509 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466268 595759033 /nfs/dbraw/zinc/75/90/33/595759033.db2.gz XKLQGRRZJSVPIW-DLBZAZTESA-N 2 0 341.544 1.432 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cn(-c2ccccc2)nn1 ZINC000850353374 595815938 /nfs/dbraw/zinc/81/59/38/595815938.db2.gz BEEOJBFBDQZJPK-INIZCTEOSA-N 2 0 330.480 1.629 20 0 EDADRP O=C(N[C@@H]1C[C@@H](N2CCOCC2)C12CCC2)N[C@@H]1CCn2ccnc21 ZINC000854096854 595974296 /nfs/dbraw/zinc/97/42/96/595974296.db2.gz UTLSONBCFIFZPP-RBSFLKMASA-N 2 0 345.447 1.271 20 0 EDADRP CC[C@H]([NH2+]C)c1nc(-c2ccc(N3CC[NH+](CC)CC3)nc2)no1 ZINC000854146838 595990160 /nfs/dbraw/zinc/99/01/60/595990160.db2.gz ILWDWMDWDQDJHV-AWEZNQCLSA-N 2 0 330.436 1.944 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3cn[nH]n3)C2)ccn1 ZINC000856585030 596023948 /nfs/dbraw/zinc/02/39/48/596023948.db2.gz XLQZLQKRCRFTGJ-QGZVFWFLSA-N 2 0 330.436 1.347 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000861575006 596033539 /nfs/dbraw/zinc/03/35/39/596033539.db2.gz FTEAWWBBZMBDNR-OAHLLOKOSA-N 2 0 334.464 1.650 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)[C@H](C)[NH+](C)C)C2)ccn1 ZINC000856654458 596043408 /nfs/dbraw/zinc/04/34/08/596043408.db2.gz NUWOXIGJKOUPRP-YJBOKZPZSA-N 2 0 348.491 1.852 20 0 EDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C2 ZINC000852106779 596045985 /nfs/dbraw/zinc/04/59/85/596045985.db2.gz DKBIUTKCFNXSLY-MAUKXSAKSA-N 2 0 341.496 1.680 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccc(S(=O)(=O)NC)cc2)[C@@H](C)C1 ZINC000866577566 596256588 /nfs/dbraw/zinc/25/65/88/596256588.db2.gz LNCLYDMAELPDTL-YOEHRIQHSA-N 2 0 339.505 1.457 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000866705926 596302214 /nfs/dbraw/zinc/30/22/14/596302214.db2.gz JOKWIYPIHXLTKV-GDBMZVCRSA-N 2 0 331.526 1.355 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)c1ccccc1 ZINC000866712705 596304888 /nfs/dbraw/zinc/30/48/88/596304888.db2.gz VWDZUVZZCIBTEA-NCOADZHNSA-N 2 0 331.416 1.241 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CC[C@@H]2CCc3ccccc32)C1 ZINC000866712825 596305746 /nfs/dbraw/zinc/30/57/46/596305746.db2.gz YKCYLAFKWUQHBT-PBWTXFEYSA-N 2 0 341.455 1.973 20 0 EDADRP Cc1cccc(C)c1OCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714676 596306325 /nfs/dbraw/zinc/30/63/25/596306325.db2.gz VAPFQVHHAOVQDG-BBWFWOEESA-N 2 0 345.443 1.549 20 0 EDADRP Cc1ccccc1OCC[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714668 596306869 /nfs/dbraw/zinc/30/68/69/596306869.db2.gz UWJIEWLMWIKVTJ-UXLLHSPISA-N 2 0 331.416 1.241 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)CC[C@H]21 ZINC000868791470 596307224 /nfs/dbraw/zinc/30/72/24/596307224.db2.gz QHWFEJSAOCIUQM-CEXWTWQISA-N 2 0 342.487 1.997 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(Br)c1 ZINC000870912963 596401156 /nfs/dbraw/zinc/40/11/56/596401156.db2.gz ONBKBLCZYYFKGV-DZGCQCFKSA-N 2 0 338.249 1.661 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870922605 596406676 /nfs/dbraw/zinc/40/66/76/596406676.db2.gz JYCTZKZVJMIONU-QAQDUYKDSA-N 2 0 346.475 1.112 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2F)CC1 ZINC000871012449 596438086 /nfs/dbraw/zinc/43/80/86/596438086.db2.gz UPEPBVMRTJEKPW-AWEZNQCLSA-N 2 0 334.439 1.906 20 0 EDADRP Cc1ccc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000867590333 596449125 /nfs/dbraw/zinc/44/91/25/596449125.db2.gz ORELDZHOKJRXAL-HZPDHXFCSA-N 2 0 339.505 1.355 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCC(CNC(C)=O)CC2)CC1 ZINC000865448702 596578637 /nfs/dbraw/zinc/57/86/37/596578637.db2.gz KHJNNXMDFDKVPZ-IPJUCJBFSA-N 2 0 338.540 1.545 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCOc2ccccc2F)CC1 ZINC000863550058 596615352 /nfs/dbraw/zinc/61/53/52/596615352.db2.gz MYCGPJNCVLVFPN-WBVHZDCISA-N 2 0 349.406 1.462 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN(C)C2CC2)CN1C(=O)OC(C)(C)C ZINC000863582620 596625839 /nfs/dbraw/zinc/62/58/39/596625839.db2.gz PBLIJQNEXOIOFM-YCPHGPKFSA-N 2 0 341.496 1.819 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)o1 ZINC000869781882 596633109 /nfs/dbraw/zinc/63/31/09/596633109.db2.gz ZADJKXODDLJCRM-AWEZNQCLSA-N 2 0 337.464 1.696 20 0 EDADRP C[C@]1(CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)CCC[NH2+]C1 ZINC000867967842 596638232 /nfs/dbraw/zinc/63/82/32/596638232.db2.gz PLGFSNWFXBWNDN-ZFWWWQNUSA-N 2 0 340.265 1.955 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871810039 596706819 /nfs/dbraw/zinc/70/68/19/596706819.db2.gz DVJKXLNQZJTTFA-QGZVFWFLSA-N 2 0 337.489 1.106 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3cnccc3n2)C[C@H]1C[NH+](C)C ZINC000870017401 596709455 /nfs/dbraw/zinc/70/94/55/596709455.db2.gz MQVANNQQDHJZOR-HZPDHXFCSA-N 2 0 341.459 1.441 20 0 EDADRP CO[C@H]1CCCC[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017570 596709566 /nfs/dbraw/zinc/70/95/66/596709566.db2.gz PWKITQFJALLYPK-VQHPVUNQSA-N 2 0 325.497 1.389 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2(c3cccnc3)CC2)C[C@H]1C[NH+](C)C ZINC000870019853 596711410 /nfs/dbraw/zinc/71/14/10/596711410.db2.gz SYIDZTKNWPRAOH-HZPDHXFCSA-N 2 0 330.476 1.311 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2cncc(F)c2)C[C@H]1C[NH+](C)C ZINC000870021773 596712606 /nfs/dbraw/zinc/71/26/06/596712606.db2.gz KOXGYXUQQUYILM-ILNYKDOHSA-N 2 0 334.439 1.432 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186432 596715224 /nfs/dbraw/zinc/71/52/24/596715224.db2.gz SKUMTBQWIZJWFH-RRQGHBQHSA-N 2 0 331.464 1.259 20 0 EDADRP CN1CCn2nc(NC(=O)N3CCC([C@H]4CC[NH2+]C4)CC3)cc2C1 ZINC000868203492 596722126 /nfs/dbraw/zinc/72/21/26/596722126.db2.gz FDZHGVDHOTXSLA-AWEZNQCLSA-N 2 0 332.452 1.182 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC000868215780 596728216 /nfs/dbraw/zinc/72/82/16/596728216.db2.gz BPWDFOJQEFZEIP-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP CC[C@@H](C)Oc1nccnc1N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866010165 596756907 /nfs/dbraw/zinc/75/69/07/596756907.db2.gz GMXBDLWYYAISLX-BZUAXINKSA-N 2 0 335.496 1.830 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccnc(N3CCCCC3)n2)C[C@H]1C[NH+](C)C ZINC000866012248 596757578 /nfs/dbraw/zinc/75/75/78/596757578.db2.gz VUOSTZGJMQQBHL-IAGOWNOFSA-N 2 0 346.523 1.643 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC2CC[NH+](C(C)C)CC2)C1 ZINC000868284212 596764536 /nfs/dbraw/zinc/76/45/36/596764536.db2.gz RIRLCSIXISAZCQ-QGZVFWFLSA-N 2 0 340.512 1.517 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)cc1 ZINC000872149826 596812568 /nfs/dbraw/zinc/81/25/68/596812568.db2.gz QQTCYJKNLWSCHG-NFAWXSAZSA-N 2 0 331.382 1.807 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCC(=O)N2CC[NH2+]CC2)C1)C1CCCC1 ZINC000872158420 596816564 /nfs/dbraw/zinc/81/65/64/596816564.db2.gz UZZDUFUSPCIDKR-FUHWJXTLSA-N 3 0 336.524 1.428 20 0 EDADRP CC1(C)CC[NH2+]CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000872297350 596872218 /nfs/dbraw/zinc/87/22/18/596872218.db2.gz LPAXCKFOBSDMQK-QGZVFWFLSA-N 2 0 330.476 1.894 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCN1CCOC[C@@H]1CC ZINC000875579152 596903822 /nfs/dbraw/zinc/90/38/22/596903822.db2.gz VXEAHZOPFLGERR-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC2(F)F)C[C@H]1C[NH+](C)C ZINC000875584525 596906227 /nfs/dbraw/zinc/90/62/27/596906227.db2.gz FLAXQAPKJCOJGP-MGPQQGTHSA-N 2 0 332.439 1.555 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000874432706 597076722 /nfs/dbraw/zinc/07/67/22/597076722.db2.gz PPCLZBQJDTWHLU-SQNIBIBYSA-N 2 0 328.460 1.797 20 0 EDADRP CCOc1cccc(F)c1CNCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000873044051 597169343 /nfs/dbraw/zinc/16/93/43/597169343.db2.gz AEFXOSDCHOBHFN-CQSZACIVSA-N 2 0 337.439 1.901 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2oc(=O)[nH]c2c1 ZINC000876380217 597187324 /nfs/dbraw/zinc/18/73/24/597187324.db2.gz DQZBGWPGISLMRV-UHFFFAOYSA-N 2 0 349.435 1.168 20 0 EDADRP COCCNC(=O)C1CC[NH+](Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873201628 597225451 /nfs/dbraw/zinc/22/54/51/597225451.db2.gz FLNLNPLEEVHYFF-UHFFFAOYSA-N 2 0 337.489 1.368 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876521068 597229545 /nfs/dbraw/zinc/22/95/45/597229545.db2.gz RPHFGPUWMJXUHL-GDBMZVCRSA-N 2 0 345.443 1.907 20 0 EDADRP COCCC(=O)N1CCC([NH2+]Cc2cc3c(s2)CC[NH2+]C3)CC1 ZINC000873212525 597229876 /nfs/dbraw/zinc/22/98/76/597229876.db2.gz NKNUOWFRUSAWKE-UHFFFAOYSA-N 2 0 337.489 1.511 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000873250540 597240508 /nfs/dbraw/zinc/24/05/08/597240508.db2.gz IAHSDEJRDTZHLJ-BGTYHANMSA-N 2 0 347.459 1.739 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C2)n1 ZINC000873308306 597252472 /nfs/dbraw/zinc/25/24/72/597252472.db2.gz IFPNFRNSFYKSAQ-MNOVXSKESA-N 2 0 348.373 1.046 20 0 EDADRP Cc1noc(C)c1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875151063 597303800 /nfs/dbraw/zinc/30/38/00/597303800.db2.gz QWVYXGIIAVRZOR-HUUCEWRRSA-N 2 0 337.468 1.172 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@H]12)c1csc(C2CC[NH2+]CC2)n1 ZINC000876729718 597309819 /nfs/dbraw/zinc/30/98/19/597309819.db2.gz VFMIEZPOUDGBBG-DZGCQCFKSA-N 2 0 334.489 1.967 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000876738919 597315923 /nfs/dbraw/zinc/31/59/23/597315923.db2.gz AMKPCIBEYVKORM-INIZCTEOSA-N 2 0 341.459 1.173 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@]34CCC[C@H]3[NH2+]CC4)c2)CC1 ZINC000876782475 597339039 /nfs/dbraw/zinc/33/90/39/597339039.db2.gz SPGNKLIIFHBTRG-QUCCMNQESA-N 2 0 342.487 1.905 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000876789569 597341380 /nfs/dbraw/zinc/34/13/80/597341380.db2.gz ZIZKPKZXRUBXKU-IRXDYDNUSA-N 2 0 345.491 1.720 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000876808611 597347395 /nfs/dbraw/zinc/34/73/95/597347395.db2.gz TWPADOJWWXMJDB-ROUUACIJSA-N 2 0 343.471 1.475 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)c1cccc(C(F)(F)F)c1 ZINC000876857583 597360783 /nfs/dbraw/zinc/36/07/83/597360783.db2.gz SKGNPQRSCYDQAU-YUTCNCBUSA-N 2 0 327.350 1.916 20 0 EDADRP [NH3+]C1(CNC(=O)C2(F)CCOCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921971 597386126 /nfs/dbraw/zinc/38/61/26/597386126.db2.gz OEUJVUBMXXPEEI-UHFFFAOYSA-N 2 0 349.450 1.615 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000876921739 597386196 /nfs/dbraw/zinc/38/61/96/597386196.db2.gz KSNINFCAHCSGRL-IAGOWNOFSA-N 3 0 344.503 1.470 20 0 EDADRP CCSCC[C@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875328807 597386547 /nfs/dbraw/zinc/38/65/47/597386547.db2.gz LEQBZHAFGFFALZ-ARFHVFGLSA-N 2 0 344.569 1.899 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCC(F)(F)C2)C[C@H]1C[NH+](C)C ZINC000875393275 597411596 /nfs/dbraw/zinc/41/15/96/597411596.db2.gz RYSZVMVLTVMQKE-KFWWJZLASA-N 2 0 346.466 1.945 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000877053252 597422856 /nfs/dbraw/zinc/42/28/56/597422856.db2.gz IGHVXCWSBNSGGY-UONOGXRCSA-N 2 0 347.290 1.601 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]CC(C)(C)CNC(=O)OC(C)(C)C)CC1 ZINC000877143906 597442033 /nfs/dbraw/zinc/44/20/33/597442033.db2.gz YBJLIKZFCKOJJT-UHFFFAOYSA-N 2 0 342.528 1.764 20 0 EDADRP C[NH+](C)CC1(CNC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CCCC1 ZINC000875492895 597452005 /nfs/dbraw/zinc/45/20/05/597452005.db2.gz VHSWIHDAKRGMIL-HNNXBMFYSA-N 2 0 340.512 1.253 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C2([S@](C)=O)CC[NH2+]CC2)CC1 ZINC000877200981 597460068 /nfs/dbraw/zinc/46/00/68/597460068.db2.gz TUWRQCGSIYQZQP-QHCPKHFHSA-N 2 0 343.537 1.114 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877206417 597461926 /nfs/dbraw/zinc/46/19/26/597461926.db2.gz HWZKNEKYXSKHAX-MRXNPFEDSA-N 2 0 344.463 1.366 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC34CC[NH2+]CC4)C[C@H]2[NH3+])cc1 ZINC000877237838 597473924 /nfs/dbraw/zinc/47/39/24/597473924.db2.gz LNSQGXTTYSKYOK-GVDBMIGSSA-N 2 0 329.444 1.338 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000877343030 597496465 /nfs/dbraw/zinc/49/64/65/597496465.db2.gz HZFHSIPKKHWRNU-MJGOQNOKSA-N 2 0 348.450 1.868 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000877352538 597498642 /nfs/dbraw/zinc/49/86/42/597498642.db2.gz HJFOYZMSKAVORC-CABCVRRESA-N 2 0 343.393 1.757 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000877353460 597499057 /nfs/dbraw/zinc/49/90/57/597499057.db2.gz QYZAXQSHYCZQLK-NLWGTHIKSA-N 2 0 344.503 1.246 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000877362271 597501612 /nfs/dbraw/zinc/50/16/12/597501612.db2.gz ZTNIHUZPJUTFKL-NWDGAFQWSA-N 2 0 341.443 1.657 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877386000 597507279 /nfs/dbraw/zinc/50/72/79/597507279.db2.gz SAMSBVVBZNZBIT-DYVFJYSZSA-N 2 0 334.489 1.933 20 0 EDADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000877389625 597507644 /nfs/dbraw/zinc/50/76/44/597507644.db2.gz FFNSBZZHPQTXMH-LMMKCTJWSA-N 2 0 328.460 1.694 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877404929 597510691 /nfs/dbraw/zinc/51/06/91/597510691.db2.gz CYFZQXPEXFFBCX-IRXDYDNUSA-N 2 0 345.491 1.850 20 0 EDADRP COc1cc(C)c(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)n1 ZINC000877669319 597546398 /nfs/dbraw/zinc/54/63/98/597546398.db2.gz DEECOAXDDHQYCG-IAGOWNOFSA-N 2 0 334.508 1.878 20 0 EDADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc(S(N)(=O)=O)o2)CC1 ZINC000877697077 597548486 /nfs/dbraw/zinc/54/84/86/597548486.db2.gz HMXHDTMTYKJVEA-UHFFFAOYSA-N 2 0 329.466 1.527 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(C(N)=O)cc1 ZINC000878287743 597592794 /nfs/dbraw/zinc/59/27/94/597592794.db2.gz IKOSSLLBXNKLRT-KZNAEPCWSA-N 2 0 331.460 1.512 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883045871 597629928 /nfs/dbraw/zinc/62/99/28/597629928.db2.gz POOZTQSRZYBQNK-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+]1CC[C@@H]2CN(C/C=C/CN3CC[C@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879577945 597640623 /nfs/dbraw/zinc/64/06/23/597640623.db2.gz OREFNVBZFSWAOG-XOPZRJDVSA-N 2 0 332.536 1.595 20 0 EDADRP CC(C)C[N@@H+](CC(=O)N1CCO[C@@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879702754 597694614 /nfs/dbraw/zinc/69/46/14/597694614.db2.gz XOPIXORYFMBPBR-INIZCTEOSA-N 2 0 325.497 1.534 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825677 597725361 /nfs/dbraw/zinc/72/53/61/597725361.db2.gz KQFQIMWAANVEHU-MGPQQGTHSA-N 2 0 329.485 1.580 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn(CC3CC3)c2)C[C@H]1C[NH+](C)C ZINC000878839230 597730783 /nfs/dbraw/zinc/73/07/83/597730783.db2.gz PBWBWYNAUXOGAX-HZPDHXFCSA-N 2 0 348.495 1.496 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000883439549 597747506 /nfs/dbraw/zinc/74/75/06/597747506.db2.gz UPXYTYPOOBBJGG-YHUYYLMFSA-N 2 0 335.448 1.345 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1coc(-c2ccccn2)n1 ZINC000878969291 597770050 /nfs/dbraw/zinc/77/00/50/597770050.db2.gz QIZAFRZXJRODHM-UHFFFAOYSA-N 2 0 331.420 1.302 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000879950770 597780920 /nfs/dbraw/zinc/78/09/20/597780920.db2.gz BTIGZHIVGRXDFO-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP Cc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C)cn1 ZINC000879074388 597810486 /nfs/dbraw/zinc/81/04/86/597810486.db2.gz RAEYNICRMPAHFZ-HZPDHXFCSA-N 3 0 333.480 1.323 20 0 EDADRP [NH3+]C[C@H](NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1)C1CC1 ZINC000883586623 597815279 /nfs/dbraw/zinc/81/52/79/597815279.db2.gz OXRIGQMHOLDHNI-ROUUACIJSA-N 2 0 343.475 1.830 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C2CC(OC(C)(C)C)C2)CC1 ZINC000132248516 597816175 /nfs/dbraw/zinc/81/61/75/597816175.db2.gz XZHULEMHINUXRK-UHFFFAOYSA-N 2 0 325.497 1.722 20 0 EDADRP COCC[N@H+](CC[C@H]1CCS(=O)(=O)C1)CC1CC[NH+](C)CC1 ZINC000879125686 597826887 /nfs/dbraw/zinc/82/68/87/597826887.db2.gz GKXHRSYRDZKIGS-INIZCTEOSA-N 2 0 332.510 1.101 20 0 EDADRP COCC[N@@H+](CC(=O)N(C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC000879124494 597827093 /nfs/dbraw/zinc/82/70/93/597827093.db2.gz YMTNMIASOLNGMQ-UHFFFAOYSA-N 2 0 333.476 1.940 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC3(CC[NH+](C)CC3)CC2)CC1 ZINC000879246667 597863399 /nfs/dbraw/zinc/86/33/99/597863399.db2.gz GOQIVFUKXDATRR-UHFFFAOYSA-N 3 0 336.524 1.395 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@](O)(C(N)=O)c1ccccc1)CC2 ZINC000879250311 597864813 /nfs/dbraw/zinc/86/48/13/597864813.db2.gz CUGKNJNCVNISRJ-LJQANCHMSA-N 2 0 331.460 1.167 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CF)C2)C1 ZINC000880235991 597879259 /nfs/dbraw/zinc/87/92/59/597879259.db2.gz UTJOQBFGGZDURY-HZPDHXFCSA-N 2 0 329.460 1.141 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCOC1 ZINC000880467166 597939697 /nfs/dbraw/zinc/93/96/97/597939697.db2.gz XPZMWOMJDUXJBS-RDJZCZTQSA-N 2 0 325.497 1.770 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000884022353 597970385 /nfs/dbraw/zinc/97/03/85/597970385.db2.gz FSSFIEMSNRZPSN-INIZCTEOSA-N 2 0 345.443 1.780 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CC1 ZINC000884041952 597975903 /nfs/dbraw/zinc/97/59/03/597975903.db2.gz LULGGGNSZCWAIK-KRWDZBQOSA-N 2 0 345.443 1.659 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C ZINC000882496170 597977512 /nfs/dbraw/zinc/97/75/12/597977512.db2.gz YPYOWBXVUMDOLY-ZIAGYGMSSA-N 2 0 342.484 1.042 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000884124561 598001634 /nfs/dbraw/zinc/00/16/34/598001634.db2.gz ASRLVXLLSGCTTC-BPQIPLTHSA-N 2 0 343.475 1.929 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)Nc2ccn(CC[NH+](C)C)n2)c1 ZINC000884207841 598029755 /nfs/dbraw/zinc/02/97/55/598029755.db2.gz HKMMPTXZJSZPNE-UHFFFAOYSA-N 2 0 331.420 1.295 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000884212347 598031165 /nfs/dbraw/zinc/03/11/65/598031165.db2.gz CCEHVCVTYOZZDR-NVXWUHKLSA-N 2 0 327.428 1.903 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000884280065 598053114 /nfs/dbraw/zinc/05/31/14/598053114.db2.gz AKKRFZJBSYRJKT-VQIMIIECSA-N 2 0 327.428 1.905 20 0 EDADRP C[C@@H]1CCc2n[nH]cc2[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019106 598054009 /nfs/dbraw/zinc/05/40/09/598054009.db2.gz GFPOKFOYACAFTH-ADAWSYLGSA-N 2 0 347.507 1.273 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cncc3[nH]ccc32)C[C@H]1C[NH+](C)C ZINC000881020657 598054491 /nfs/dbraw/zinc/05/44/91/598054491.db2.gz NTBZVMXVXSGDIS-ZIAGYGMSSA-N 2 0 329.448 1.374 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000884288219 598056177 /nfs/dbraw/zinc/05/61/77/598056177.db2.gz ZEXYGSVFYGQYEJ-VQIMIIECSA-N 2 0 327.428 1.905 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000884300713 598059090 /nfs/dbraw/zinc/05/90/90/598059090.db2.gz GAJGIXOXSASAKY-RLFYNMQTSA-N 2 0 340.471 1.886 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884418432 598099420 /nfs/dbraw/zinc/09/94/20/598099420.db2.gz JFGXFPCRCYLHIP-IJLUTSLNSA-N 2 0 330.201 1.347 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@H]([NH2+]Cc4ccon4)[C@@H]3C2)CCC1 ZINC000992724545 695239186 /nfs/dbraw/zinc/23/91/86/695239186.db2.gz WYCVZAZMMODROY-UAGQMJEPSA-N 2 0 346.475 1.876 20 0 EDADRP O=C(NCC1C[NH+](CC2CCCC2)C1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001031856551 699988790 /nfs/dbraw/zinc/98/87/90/699988790.db2.gz CACVJYYEUFMFFH-URSIVYNOSA-N 2 0 333.476 1.088 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)NCc2nc(CN(C)C)cs2)C1 ZINC000914337489 695369465 /nfs/dbraw/zinc/36/94/65/695369465.db2.gz NOJDDMXEJACCDN-ZDUSSCGKSA-N 2 0 339.509 1.736 20 0 EDADRP Cc1nonc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992907137 695444531 /nfs/dbraw/zinc/44/45/31/695444531.db2.gz NOXNYPXRCFZBRR-HRCADAONSA-N 2 0 347.463 1.191 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992909485 695445983 /nfs/dbraw/zinc/44/59/83/695445983.db2.gz RBKYGEXUWXRQJQ-RYQLBKOJSA-N 2 0 346.475 1.796 20 0 EDADRP C/C(=C\C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1)CN1CCOCC1 ZINC000915263045 695775677 /nfs/dbraw/zinc/77/56/77/695775677.db2.gz ZVKWULMPJHAXIQ-HJUDDPQBSA-N 2 0 344.459 1.397 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1CCn1cccn1 ZINC000993683172 696307048 /nfs/dbraw/zinc/30/70/48/696307048.db2.gz LMOOQDRYVYBJTH-IAGOWNOFSA-N 2 0 347.507 1.727 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccon1 ZINC000993927382 696446953 /nfs/dbraw/zinc/44/69/53/696446953.db2.gz LWSSPKVJZFZGNI-PBHICJAKSA-N 2 0 334.464 1.876 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000994260056 696672840 /nfs/dbraw/zinc/67/28/40/696672840.db2.gz XKELOSPBVWIFER-RDJZCZTQSA-N 2 0 345.491 1.028 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC1CCOCC1 ZINC000994261129 696674683 /nfs/dbraw/zinc/67/46/83/696674683.db2.gz YWUJVXSDJKDPID-WBVHZDCISA-N 2 0 335.492 1.478 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000940008268 700109872 /nfs/dbraw/zinc/10/98/72/700109872.db2.gz GSARPZJOSMFSQX-OAHLLOKOSA-N 2 0 331.464 1.350 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000916836243 696794633 /nfs/dbraw/zinc/79/46/33/696794633.db2.gz JVHDBFMISWBUIF-BZUAXINKSA-N 2 0 340.537 1.597 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H](C(C)C)[NH+]1CCCC1)C[NH+](C)C ZINC000916858602 696799686 /nfs/dbraw/zinc/79/96/86/696799686.db2.gz YNAMUZBGDYIUKV-JKSUJKDBSA-N 2 0 328.501 1.373 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CCCN(Cc2cnc(C)nc2)[C@H]1C ZINC000994428634 696856200 /nfs/dbraw/zinc/85/62/00/696856200.db2.gz XIBZFCOXWAJGBV-GUYCJALGSA-N 2 0 342.447 1.459 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3c2cccc3F)C1 ZINC001031585056 697280547 /nfs/dbraw/zinc/28/05/47/697280547.db2.gz PBGXQFPNDDQMEZ-QZTJIDSGSA-N 2 0 331.435 1.955 20 0 EDADRP COc1ccccc1CCC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001031585070 697280795 /nfs/dbraw/zinc/28/07/95/697280795.db2.gz PCGNOZCDCCMKAJ-SFHVURJKSA-N 2 0 345.487 1.770 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031674510 697483156 /nfs/dbraw/zinc/48/31/56/697483156.db2.gz KUFDRNRWNKSADK-ZWKOTPCHSA-N 2 0 335.492 1.335 20 0 EDADRP CCO[C@@H](CNC(=O)NC1CC[NH+](C2CCCC2)CC1)C[NH+](C)C ZINC000921324702 697565884 /nfs/dbraw/zinc/56/58/84/697565884.db2.gz ISUWVMJZEZREQN-KRWDZBQOSA-N 2 0 340.512 1.659 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2ccnc(OC)c2)C1 ZINC001031711021 697715462 /nfs/dbraw/zinc/71/54/62/697715462.db2.gz BTHOOEXEQCCCMP-QGZVFWFLSA-N 2 0 346.475 1.513 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)CCc3ncc[nH]3)CC2)o1 ZINC000940082944 700177115 /nfs/dbraw/zinc/17/71/15/700177115.db2.gz FQEGXSXBHXPGNO-UHFFFAOYSA-N 2 0 346.435 1.459 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1 ZINC000940110296 700223668 /nfs/dbraw/zinc/22/36/68/700223668.db2.gz WBGXORIKQQBTTF-MRXNPFEDSA-N 2 0 347.507 1.764 20 0 EDADRP CC1([NH2+]Cc2ccccn2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115288 700230162 /nfs/dbraw/zinc/23/01/62/700230162.db2.gz GOVWKOOQNIEQPS-SFHVURJKSA-N 2 0 342.487 1.894 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000940115375 700230527 /nfs/dbraw/zinc/23/05/27/700230527.db2.gz JTCNQEFYVACMCU-KRWDZBQOSA-N 2 0 345.491 1.233 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764440 699042103 /nfs/dbraw/zinc/04/21/03/699042103.db2.gz FCHSPWTUNNHDFU-UHFFFAOYSA-N 2 0 335.492 1.337 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764545 699053309 /nfs/dbraw/zinc/05/33/09/699053309.db2.gz HTFXRISMWPZLFO-UHFFFAOYSA-N 2 0 335.492 1.480 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939054647 699115426 /nfs/dbraw/zinc/11/54/26/699115426.db2.gz MNBPPXBYMFJHDQ-RHSMWYFYSA-N 2 0 346.475 1.369 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1[NH2+]CC1CC(F)(F)C1 ZINC000939064076 699131215 /nfs/dbraw/zinc/13/12/15/699131215.db2.gz QGOQIUZMSNCCBH-WFASDCNBSA-N 2 0 329.435 1.810 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939064194 699131552 /nfs/dbraw/zinc/13/15/52/699131552.db2.gz SKECETWVSQLNKM-DYVFJYSZSA-N 2 0 331.464 1.063 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001031776661 699168834 /nfs/dbraw/zinc/16/88/34/699168834.db2.gz LMXBKWVZZOIOKC-OALUTQOASA-N 2 0 345.487 1.906 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)C1 ZINC000941534245 701573894 /nfs/dbraw/zinc/57/38/94/701573894.db2.gz QLOVMHTUJIIBOB-IRXDYDNUSA-N 2 0 336.524 1.201 20 0 EDADRP Cc1nc2c([nH]1)C[C@H](C(=O)NCC1C[NH+](CC[C@@H]3CCCO3)C1)CC2 ZINC001031787108 699222686 /nfs/dbraw/zinc/22/26/86/699222686.db2.gz BBSQAAYEFXXTOU-CVEARBPZSA-N 2 0 346.475 1.440 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCc1ccnn1C ZINC000939136632 699222994 /nfs/dbraw/zinc/22/29/94/699222994.db2.gz ALVCDPCFGMKZNI-RDJZCZTQSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939256871 699433764 /nfs/dbraw/zinc/43/37/64/699433764.db2.gz FTTFRKTZIBHERU-SUMWQHHRSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939259985 699438331 /nfs/dbraw/zinc/43/83/31/699438331.db2.gz YRQYZGZQBHJKDE-CRAIPNDOSA-N 2 0 337.508 1.581 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC000939395244 699545205 /nfs/dbraw/zinc/54/52/05/699545205.db2.gz FSCKIEISJYGLFQ-IRXDYDNUSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1ccccc1 ZINC000939420136 699556656 /nfs/dbraw/zinc/55/66/56/699556656.db2.gz DJJQOSRMCOBKTL-QFBILLFUSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(CO)cc1 ZINC000939547574 699672956 /nfs/dbraw/zinc/67/29/56/699672956.db2.gz XXJROARYLUPNRW-MAUKXSAKSA-N 2 0 343.471 1.211 20 0 EDADRP COc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)ccn1 ZINC000939543276 699684408 /nfs/dbraw/zinc/68/44/08/699684408.db2.gz BUTCSLDNUJBUME-ZBFHGGJFSA-N 2 0 344.459 1.123 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939551991 699701370 /nfs/dbraw/zinc/70/13/70/699701370.db2.gz VJDVOZQTDONQAJ-CXAGYDPISA-N 2 0 344.459 1.584 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)C1)C12CC[NH+](CC1)C2 ZINC000995165377 701610507 /nfs/dbraw/zinc/61/05/07/701610507.db2.gz CXQAYRVRVQRCAZ-STQMWFEESA-N 2 0 335.477 1.008 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CN(CC=C(C)C)C2)CC1 ZINC000941675087 701614901 /nfs/dbraw/zinc/61/49/01/701614901.db2.gz SNHXDXANGIMYEW-LJQANCHMSA-N 2 0 348.535 1.655 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941676879 701615677 /nfs/dbraw/zinc/61/56/77/701615677.db2.gz GKRUPDYGPLJSET-HOTGVXAUSA-N 2 0 334.508 1.098 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCN(C3C[NH+](CCCC4CCC4)C3)CC2)C1 ZINC000941665508 701619419 /nfs/dbraw/zinc/61/94/19/701619419.db2.gz HEYGDNVRCRUXPR-SFHVURJKSA-N 2 0 348.535 1.347 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754142 699904257 /nfs/dbraw/zinc/90/42/57/699904257.db2.gz LIOPDGUQYPICKJ-CXAGYDPISA-N 2 0 334.464 1.578 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cc(CO)ccc1F ZINC000939757631 699924612 /nfs/dbraw/zinc/92/46/12/699924612.db2.gz ZFTDMGPNURJXMY-KSSFIOAISA-N 2 0 349.450 1.350 20 0 EDADRP CCOC1CC(C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001031850174 699939341 /nfs/dbraw/zinc/93/93/41/699939341.db2.gz RQOGAYDQQHQPTQ-UHFFFAOYSA-N 2 0 342.443 1.811 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCN(C2C[NH+](CC3CCCCC3)C2)CC1 ZINC000941669249 701623337 /nfs/dbraw/zinc/62/33/37/701623337.db2.gz WTLIYFLZXYQZDT-UHFFFAOYSA-N 2 0 348.535 1.491 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]Cc2ncccn2)C1)[NH+]1CCCC1 ZINC000995056324 700405552 /nfs/dbraw/zinc/40/55/52/700405552.db2.gz QUTMLMSHIKDEJM-HZPDHXFCSA-N 2 0 345.491 1.726 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327662 700504674 /nfs/dbraw/zinc/50/46/74/700504674.db2.gz MXWUWLBYTAEYJS-ZBFHGGJFSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000940327948 700505192 /nfs/dbraw/zinc/50/51/92/700505192.db2.gz ANHVCAGKRBOSIS-ZDUSSCGKSA-N 2 0 334.468 1.068 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000940327956 700505297 /nfs/dbraw/zinc/50/52/97/700505297.db2.gz AWRQUFBUBXREQW-CVEARBPZSA-N 2 0 347.507 1.571 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000940328582 700506917 /nfs/dbraw/zinc/50/69/17/700506917.db2.gz KZSFGYNDEDQNJS-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccccn2)CC1 ZINC000940328890 700507407 /nfs/dbraw/zinc/50/74/07/700507407.db2.gz MQDBVIYAJXRRKO-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940328960 700507764 /nfs/dbraw/zinc/50/77/64/700507764.db2.gz OWBXTFBEPRHBLO-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)no1 ZINC000940329177 700508433 /nfs/dbraw/zinc/50/84/33/700508433.db2.gz QVMURXBWFUINCB-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC000940329876 700509549 /nfs/dbraw/zinc/50/95/49/700509549.db2.gz ZDKMFZDIHWQECB-GOEBONIOSA-N 2 0 348.491 1.905 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC000940427557 700621453 /nfs/dbraw/zinc/62/14/53/700621453.db2.gz JPZXSVUABHDZQM-UHFFFAOYSA-N 2 0 346.475 1.858 20 0 EDADRP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457771 700661502 /nfs/dbraw/zinc/66/15/02/700661502.db2.gz SZKQLWWNXKGHDD-MRXNPFEDSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000940461637 700664868 /nfs/dbraw/zinc/66/48/68/700664868.db2.gz GLXHPTUAZLTVBN-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000940461770 700665176 /nfs/dbraw/zinc/66/51/76/700665176.db2.gz JYDVSADWCGKBKR-UHFFFAOYSA-N 2 0 346.475 1.657 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccn2)CC1(C)C ZINC000940621798 700783162 /nfs/dbraw/zinc/78/31/62/700783162.db2.gz VNFOXHLHMAVEFZ-IAGOWNOFSA-N 2 0 330.476 1.893 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC000940831059 700930607 /nfs/dbraw/zinc/93/06/07/700930607.db2.gz DEXWUOUZGXXTIG-INIZCTEOSA-N 2 0 337.508 1.462 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940900768 700975765 /nfs/dbraw/zinc/97/57/65/700975765.db2.gz HXCBFLUYYVPMTB-BWRBCVJASA-N 2 0 335.492 1.476 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CC[N@H+](CCO)CC1(C)C ZINC000940918030 700995368 /nfs/dbraw/zinc/99/53/68/700995368.db2.gz IOEWJCQZIJUDEC-GOSISDBHSA-N 2 0 347.503 1.613 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)CC[N@@H+]1C ZINC000940980073 701020360 /nfs/dbraw/zinc/02/03/60/701020360.db2.gz NMOMCOICRXYWEC-JYJNAYRXSA-N 2 0 325.497 1.316 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C[C@@H]3CCOC3)CC2(C)C)CC1 ZINC000940994548 701030030 /nfs/dbraw/zinc/03/00/30/701030030.db2.gz WYQXWXYFRXVMQX-DOTOQJQBSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CC3CC3)C2)cn1 ZINC000995115732 701057662 /nfs/dbraw/zinc/05/76/62/701057662.db2.gz XOVZLBFUJWWNDF-NVXWUHKLSA-N 2 0 333.480 1.343 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)ncn1 ZINC000995170766 701686497 /nfs/dbraw/zinc/68/64/97/701686497.db2.gz YPWBHMNHXJVGOY-HOTGVXAUSA-N 2 0 343.475 1.255 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)Cn3ccnc3)[C@@H](C)C2)o1 ZINC000945806357 701196068 /nfs/dbraw/zinc/19/60/68/701196068.db2.gz CXNZRQGTMTWZFA-WFASDCNBSA-N 2 0 331.420 1.515 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031930924 701377023 /nfs/dbraw/zinc/37/70/23/701377023.db2.gz CVLDOUXMLUYALR-AWEZNQCLSA-N 2 0 335.448 1.429 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166931 701377670 /nfs/dbraw/zinc/37/76/70/701377670.db2.gz MGKNKZSSZGDGQT-MRXNPFEDSA-N 2 0 346.475 1.796 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031931104 701378345 /nfs/dbraw/zinc/37/83/45/701378345.db2.gz FKXJXWPFVXBFQP-CQSZACIVSA-N 2 0 335.448 1.429 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218109 701393225 /nfs/dbraw/zinc/39/32/25/701393225.db2.gz VNTUPOQDBKVTLX-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941214783 701401053 /nfs/dbraw/zinc/40/10/53/701401053.db2.gz CKLISDLEGHJCIU-KRWDZBQOSA-N 2 0 345.491 1.598 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC000941443724 701535503 /nfs/dbraw/zinc/53/55/03/701535503.db2.gz RLUBXERAMHPXAP-QGZVFWFLSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)C1 ZINC000941461074 701544452 /nfs/dbraw/zinc/54/44/52/701544452.db2.gz XNIRZTUJNCILQL-RDJZCZTQSA-N 2 0 340.487 1.047 20 0 EDADRP Cc1nn(C)cc1CN1CC(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001032129460 701822128 /nfs/dbraw/zinc/82/21/28/701822128.db2.gz YOBFKPUYUVQQDU-FUHWJXTLSA-N 2 0 347.507 1.397 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1C ZINC001031975958 701932390 /nfs/dbraw/zinc/93/23/90/701932390.db2.gz CHODGQXNPIHBNZ-YJBOKZPZSA-N 2 0 345.487 1.749 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CC[C@@H]3CCOC3)C(C)(C)C2)CCC1 ZINC000995889536 702229680 /nfs/dbraw/zinc/22/96/80/702229680.db2.gz WABGZDHZGFQKHO-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995889546 702230182 /nfs/dbraw/zinc/23/01/82/702230182.db2.gz WAIRQJXVLDUPOH-MRXNPFEDSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C2CCC2)CC1(C)C ZINC000995917472 702236065 /nfs/dbraw/zinc/23/60/65/702236065.db2.gz KZTXQINVGRQAFQ-KRWDZBQOSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1)[NH+](C)C ZINC000995949205 702297648 /nfs/dbraw/zinc/29/76/48/702297648.db2.gz LXTPXFCQBHXOMM-SJORKVTESA-N 2 0 349.523 1.612 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cnc(C)nc3)C2)CC[N@@H+]1C ZINC000999210106 706662958 /nfs/dbraw/zinc/66/29/58/706662958.db2.gz TZHACWCQHUSBDM-FGTMMUONSA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]C[C@@H]1CCCOC1 ZINC000995999329 702379335 /nfs/dbraw/zinc/37/93/35/702379335.db2.gz UFDLXGPYCQCOPH-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC000996001574 702381122 /nfs/dbraw/zinc/38/11/22/702381122.db2.gz ZPKHHBYOHNEMGQ-INIZCTEOSA-N 2 0 345.491 1.375 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)n1 ZINC000996134686 702563996 /nfs/dbraw/zinc/56/39/96/702563996.db2.gz KYYZBQFELHLWIE-MRXNPFEDSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000996247925 702650971 /nfs/dbraw/zinc/65/09/71/702650971.db2.gz NTITYGYLFLBKMK-HZPDHXFCSA-N 2 0 335.496 1.333 20 0 EDADRP COc1ccnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995210509 702686195 /nfs/dbraw/zinc/68/61/95/702686195.db2.gz MDQBKFGEXJSLLV-JKSUJKDBSA-N 2 0 346.475 1.561 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cccnc2)C(C)(C)C1 ZINC000996300458 702692319 /nfs/dbraw/zinc/69/23/19/702692319.db2.gz MPFDWBIWXDPIIU-RDJZCZTQSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996302769 702694925 /nfs/dbraw/zinc/69/49/25/702694925.db2.gz ZCJBHANCAXTPTD-DYVFJYSZSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)oc1C ZINC000995212035 702700281 /nfs/dbraw/zinc/70/02/81/702700281.db2.gz OIZFBHMQBNEAOS-JKSUJKDBSA-N 2 0 334.464 1.762 20 0 EDADRP CC[C@@H](C(=O)N1C[C@H]([NH2+]Cc2ccn(C)c(=O)c2)C(C)(C)C1)[NH+](C)C ZINC000996313851 702702128 /nfs/dbraw/zinc/70/21/28/702702128.db2.gz GFADQNNRMFGCGH-HOTGVXAUSA-N 2 0 348.491 1.052 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cs1 ZINC000995215165 702723432 /nfs/dbraw/zinc/72/34/32/702723432.db2.gz SUSIRLMJWZYNGE-HUUCEWRRSA-N 2 0 336.505 1.922 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)cn1 ZINC000996400768 702757253 /nfs/dbraw/zinc/75/72/53/702757253.db2.gz IADPYLJWZPHEGL-KRWDZBQOSA-N 2 0 347.507 1.685 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@@H]1CCCCO1 ZINC000996518203 702853856 /nfs/dbraw/zinc/85/38/56/702853856.db2.gz CUWKBXNWWCSEIV-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996522027 702857371 /nfs/dbraw/zinc/85/73/71/702857371.db2.gz XLJDTTQYEVXIQN-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996561006 702874906 /nfs/dbraw/zinc/87/49/06/702874906.db2.gz MSPXAFAGPVTPJK-QAPCUYQASA-N 2 0 335.492 1.335 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]CCc3ccnn3C)CC2)CC[N@@H+]1C ZINC000996602840 702907747 /nfs/dbraw/zinc/90/77/47/702907747.db2.gz HSLWIKVAWGVBMZ-ZWKOTPCHSA-N 2 0 347.507 1.274 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)ccn1 ZINC000996610485 702915358 /nfs/dbraw/zinc/91/53/58/702915358.db2.gz JFADMNFTGASNLP-MRXNPFEDSA-N 2 0 346.475 1.513 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)C1 ZINC000996661327 702958563 /nfs/dbraw/zinc/95/85/63/702958563.db2.gz WVZJFLKBZHZQMU-IRXDYDNUSA-N 2 0 337.508 1.581 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cn(C)nc2C)CC1 ZINC000996661730 702959085 /nfs/dbraw/zinc/95/90/85/702959085.db2.gz MVBNIOXOLPNWSS-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000996662767 702960295 /nfs/dbraw/zinc/96/02/95/702960295.db2.gz PVRHUIPNXSOBDU-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)C1 ZINC000996667058 702963876 /nfs/dbraw/zinc/96/38/76/702963876.db2.gz SCEYZKWBTJSTBV-INIZCTEOSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)c(C)o1 ZINC000996667752 702964854 /nfs/dbraw/zinc/96/48/54/702964854.db2.gz XZVVIVDSBDWJSO-UHFFFAOYSA-N 2 0 334.464 1.856 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1)c1cnccn1 ZINC000996664738 702967005 /nfs/dbraw/zinc/96/70/05/702967005.db2.gz IIYAODJMHNOCOU-CQSZACIVSA-N 2 0 331.464 1.603 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]CCO)C(C)(C)C1)[NH+]1CCCCC1 ZINC000996676769 702975786 /nfs/dbraw/zinc/97/57/86/702975786.db2.gz PGWIBZHCUVXWCE-CVEARBPZSA-N 2 0 325.497 1.316 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000996717400 703010909 /nfs/dbraw/zinc/01/09/09/703010909.db2.gz AAPBEMQDEJQOFG-IBGZPJMESA-N 2 0 345.487 1.744 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)n2C)CC1)[NH+](C)C ZINC000996718432 703012214 /nfs/dbraw/zinc/01/22/14/703012214.db2.gz PODLQTBNQPBZOJ-OAHLLOKOSA-N 2 0 348.495 1.113 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996729308 703026244 /nfs/dbraw/zinc/02/62/44/703026244.db2.gz NDCYIRUIMYGGSC-SFHVURJKSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC000942530223 703031335 /nfs/dbraw/zinc/03/13/35/703031335.db2.gz PYPUTSPPGQFRQJ-QFBILLFUSA-N 2 0 347.503 1.613 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001032027828 703050171 /nfs/dbraw/zinc/05/01/71/703050171.db2.gz ZHIVNAVAUUUMKO-SJLPKXTDSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000996762377 703054501 /nfs/dbraw/zinc/05/45/01/703054501.db2.gz KZEQZQAIQGPEMF-KRWDZBQOSA-N 2 0 349.479 1.579 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996766273 703057849 /nfs/dbraw/zinc/05/78/49/703057849.db2.gz ZQYBINVZKXHOQP-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1C[N@H+](CCOC2CCC2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597130 703112066 /nfs/dbraw/zinc/11/20/66/703112066.db2.gz JBMPFYGWAUPPPI-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000996867938 703140289 /nfs/dbraw/zinc/14/02/89/703140289.db2.gz KXAJIPBDVFURBG-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867481 703140311 /nfs/dbraw/zinc/14/03/11/703140311.db2.gz JMFSENFRJFNXQD-UHFFFAOYSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000996995747 703252524 /nfs/dbraw/zinc/25/25/24/703252524.db2.gz QCDLDKHTIGIWOE-CQSZACIVSA-N 2 0 334.439 1.786 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC000997000351 703257115 /nfs/dbraw/zinc/25/71/15/703257115.db2.gz PNFQOFSVSFKRRQ-ZDUSSCGKSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000997005369 703262469 /nfs/dbraw/zinc/26/24/69/703262469.db2.gz DJAVKWROWFSQMV-LRDDRELGSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997006473 703263942 /nfs/dbraw/zinc/26/39/42/703263942.db2.gz MDLPFWRBOVOZAX-QFBILLFUSA-N 2 0 345.487 1.642 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997009028 703267241 /nfs/dbraw/zinc/26/72/41/703267241.db2.gz XGSUCNJUTMLPEV-HNNXBMFYSA-N 2 0 330.476 1.812 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997009141 703269705 /nfs/dbraw/zinc/26/97/05/703269705.db2.gz YHGKIOZHKSNDBO-INIZCTEOSA-N 2 0 347.507 1.368 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997012564 703272254 /nfs/dbraw/zinc/27/22/54/703272254.db2.gz XUOUVWJRDCYBEE-SUMWQHHRSA-N 2 0 331.464 1.063 20 0 EDADRP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)n1 ZINC000997012923 703272704 /nfs/dbraw/zinc/27/27/04/703272704.db2.gz YQEJJKSUFRYYKB-IFXJQAMLSA-N 2 0 344.503 1.977 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC1 ZINC000997056363 703301930 /nfs/dbraw/zinc/30/19/30/703301930.db2.gz DDQPXVJGPUBZHG-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]Cc3cscn3)CC2)CC1 ZINC000997059043 703304391 /nfs/dbraw/zinc/30/43/91/703304391.db2.gz UJMKLJBVGJBBMT-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@H](C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000997060501 703305426 /nfs/dbraw/zinc/30/54/26/703305426.db2.gz GYRUZVUQPLYLJF-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)n1 ZINC000997090957 703328515 /nfs/dbraw/zinc/32/85/15/703328515.db2.gz CBAGZOMMSUTRNR-MSOLQXFVSA-N 2 0 345.491 1.518 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942823340 703331870 /nfs/dbraw/zinc/33/18/70/703331870.db2.gz TZVGADOVGAZMCO-DLBZAZTESA-N 2 0 347.507 1.442 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CC1 ZINC000997139448 703400513 /nfs/dbraw/zinc/40/05/13/703400513.db2.gz NQJAWRGSIWKJIL-UHFFFAOYSA-N 2 0 347.507 1.621 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000997172359 703454144 /nfs/dbraw/zinc/45/41/44/703454144.db2.gz ZAPMUXSIBZYOME-NVXWUHKLSA-N 2 0 325.497 1.602 20 0 EDADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997166247 703457165 /nfs/dbraw/zinc/45/71/65/703457165.db2.gz KFTROWKUGGZAPR-UHFFFAOYSA-N 2 0 347.463 1.272 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000997228434 703504015 /nfs/dbraw/zinc/50/40/15/703504015.db2.gz JMNPSZLNSSOQQF-CQSZACIVSA-N 2 0 330.432 1.811 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000997307035 703565510 /nfs/dbraw/zinc/56/55/10/703565510.db2.gz MADGSLHSNBBALP-UHFFFAOYSA-N 2 0 332.448 1.267 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)c(C)s1 ZINC000997307976 703566152 /nfs/dbraw/zinc/56/61/52/703566152.db2.gz XUYJWUNKUABWPW-UHFFFAOYSA-N 2 0 336.505 1.936 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CCn2cccn2)CC1)[NH+]1CCCC1 ZINC000997367157 703601486 /nfs/dbraw/zinc/60/14/86/703601486.db2.gz WIPFKEVCFCRQJE-SFHVURJKSA-N 2 0 347.507 1.584 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)O)CC2)CC1 ZINC000997371768 703650862 /nfs/dbraw/zinc/65/08/62/703650862.db2.gz BAFMISQVTOKEMB-HZPDHXFCSA-N 2 0 339.524 1.704 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccnn2C)CC1 ZINC000997421115 703670662 /nfs/dbraw/zinc/67/06/62/703670662.db2.gz NWSSGLKLMQYCGM-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997423626 703671509 /nfs/dbraw/zinc/67/15/09/703671509.db2.gz GPYVZNDGTYYRLK-NVXWUHKLSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1c(C)nnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000997605820 703903457 /nfs/dbraw/zinc/90/34/57/703903457.db2.gz HZONOKJWRGHXJE-MRXNPFEDSA-N 2 0 348.495 1.029 20 0 EDADRP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn(-c2cc[nH+]cc2)n1 ZINC001032514557 703908023 /nfs/dbraw/zinc/90/80/23/703908023.db2.gz VWAMWGXWCIKRPV-HOTGVXAUSA-N 2 0 325.416 1.966 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000997613603 703912907 /nfs/dbraw/zinc/91/29/07/703912907.db2.gz ORMUAPSMHCVNKI-HNNXBMFYSA-N 2 0 346.479 1.105 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC(F)(F)C2)C(C)(C)C1 ZINC000995549553 703932962 /nfs/dbraw/zinc/93/29/62/703932962.db2.gz DCXQZTFBZJADFR-ZIAGYGMSSA-N 2 0 329.435 1.953 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033069851 704098515 /nfs/dbraw/zinc/09/85/15/704098515.db2.gz MASAMQAOSMWTJU-MSOLQXFVSA-N 2 0 347.507 1.368 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079003 704130853 /nfs/dbraw/zinc/13/08/53/704130853.db2.gz YZBIIHIZWYKQJP-HZPDHXFCSA-N 2 0 325.497 1.819 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)[C@@H]1CC[N@H+](CC2CCC2)C1 ZINC001033085020 704156325 /nfs/dbraw/zinc/15/63/25/704156325.db2.gz NOCDYZDUSYEONH-MRXNPFEDSA-N 2 0 333.480 1.391 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CC3CCOCC3)C2)CC[N@@H+]1C ZINC001033099922 704224703 /nfs/dbraw/zinc/22/47/03/704224703.db2.gz SQJOREYAGDISMC-OKZBNKHCSA-N 2 0 337.508 1.676 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C2)[C@H]1C(C)C ZINC000922743377 704309809 /nfs/dbraw/zinc/30/98/09/704309809.db2.gz PNRVIOOMWGXOSJ-JMIFQINSSA-N 2 0 340.512 1.106 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1C[N@H+](CCC(C)(C)C)C[C@@H]1O ZINC001047553658 704638518 /nfs/dbraw/zinc/63/85/18/704638518.db2.gz QDILZVWTMZPIMT-IRXDYDNUSA-N 2 0 339.524 1.658 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000997778491 704680334 /nfs/dbraw/zinc/68/03/34/704680334.db2.gz ZGAUPWWALQECLM-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997783453 704693280 /nfs/dbraw/zinc/69/32/80/704693280.db2.gz FFJVPLRXKJXIIY-SFHVURJKSA-N 2 0 345.491 1.090 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1ncccn1 ZINC000997822765 704742598 /nfs/dbraw/zinc/74/25/98/704742598.db2.gz GKXLZXRLGSNCEG-OAHLLOKOSA-N 2 0 345.491 1.850 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc(OC)no2)CC1)[NH+](C)C ZINC000997857030 704764225 /nfs/dbraw/zinc/76/42/25/704764225.db2.gz VDFNRSSWSASHDV-OAHLLOKOSA-N 2 0 338.452 1.352 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000997856255 704764863 /nfs/dbraw/zinc/76/48/63/704764863.db2.gz SGSKQNCMTLQUAF-GOEBONIOSA-N 2 0 333.480 1.706 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2c(C)noc2C)CC1)[NH+](C)C ZINC000997857088 704769798 /nfs/dbraw/zinc/76/97/98/704769798.db2.gz VXMXFXHUBZWPMD-QGZVFWFLSA-N 2 0 336.480 1.960 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997863664 704771120 /nfs/dbraw/zinc/77/11/20/704771120.db2.gz CNARGNKEOMGHHL-QGZVFWFLSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997861940 704772097 /nfs/dbraw/zinc/77/20/97/704772097.db2.gz WZRYIRQDLMEPAC-SUMWQHHRSA-N 2 0 348.491 1.960 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000945029622 704956911 /nfs/dbraw/zinc/95/69/11/704956911.db2.gz UYWXUWDUCISWCU-MAUKXSAKSA-N 2 0 333.476 1.835 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000998076559 705296224 /nfs/dbraw/zinc/29/62/24/705296224.db2.gz ACDVQJHOLUUFIU-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998078242 705299114 /nfs/dbraw/zinc/29/91/14/705299114.db2.gz KHYPLIJKCMHGIA-BBRMVZONSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)on1 ZINC000998082512 705310410 /nfs/dbraw/zinc/31/04/10/705310410.db2.gz QDSUWWWRTJODMB-DYVFJYSZSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998216702 705538713 /nfs/dbraw/zinc/53/87/13/705538713.db2.gz KDUDRZRHICXNHF-XJKSGUPXSA-N 2 0 349.479 1.609 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC000998224121 705552870 /nfs/dbraw/zinc/55/28/70/705552870.db2.gz XPNJJXSFCAUEOP-WBVHZDCISA-N 2 0 335.492 1.478 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000998265918 705637303 /nfs/dbraw/zinc/63/73/03/705637303.db2.gz NDDPTJBGHWQRTC-HNNXBMFYSA-N 2 0 329.435 1.812 20 0 EDADRP O=C(CCn1ccnc1)N1CC[C@H](C(F)(F)F)[C@H]([NH2+]CCF)C1 ZINC000998273648 705654075 /nfs/dbraw/zinc/65/40/75/705654075.db2.gz BYSNDXVKICOYRS-NWDGAFQWSA-N 2 0 336.333 1.612 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998286263 705681718 /nfs/dbraw/zinc/68/17/18/705681718.db2.gz JXNFRSABQSTUPS-ZIAGYGMSSA-N 2 0 335.452 1.271 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000998763226 706202118 /nfs/dbraw/zinc/20/21/18/706202118.db2.gz MNVJCLPFZTXDBR-DAWZGUTISA-N 2 0 347.507 1.680 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000998780521 706221660 /nfs/dbraw/zinc/22/16/60/706221660.db2.gz NYDVDFHXLCOMEP-JCYILVPMSA-N 2 0 332.448 1.404 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998902503 706339026 /nfs/dbraw/zinc/33/90/26/706339026.db2.gz VNXWVQVRFRPNDD-ADKAHSJRSA-N 2 0 347.507 1.762 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998992866 706424928 /nfs/dbraw/zinc/42/49/28/706424928.db2.gz APXKQZWGTUIZEJ-GPANFISMSA-N 2 0 348.495 1.251 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)ncn1 ZINC000999144266 706558113 /nfs/dbraw/zinc/55/81/13/706558113.db2.gz KYRZFIRSURMZHZ-AEFFLSMTSA-N 2 0 345.491 1.738 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999355257 706844669 /nfs/dbraw/zinc/84/46/69/706844669.db2.gz TZHLYWJCGVPNNM-QZTJIDSGSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)[nH]1 ZINC000999342666 706854688 /nfs/dbraw/zinc/85/46/88/706854688.db2.gz MNDJTYAAEAWBPY-UHFFFAOYSA-N 2 0 348.495 1.349 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999362444 706875922 /nfs/dbraw/zinc/87/59/22/706875922.db2.gz AUAXXVRVTIQHSV-HNNXBMFYSA-N 2 0 333.480 1.028 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)cn1 ZINC000999366022 706879992 /nfs/dbraw/zinc/87/99/92/706879992.db2.gz SQQDYWSVDPEAHG-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CC2CC(F)(F)C2)C1)C1CC1 ZINC000999369609 706883534 /nfs/dbraw/zinc/88/35/34/706883534.db2.gz JOJGQYXUEUQFLE-GJZGRUSLSA-N 2 0 329.435 1.953 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)ncn1 ZINC000999405724 706914741 /nfs/dbraw/zinc/91/47/41/706914741.db2.gz GUXQXCBFBQEUGJ-UQPPLGOBSA-N 2 0 331.464 1.348 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)o1 ZINC000999436984 706943994 /nfs/dbraw/zinc/94/39/94/706943994.db2.gz VXSXJTOCOYPVKF-RDJZCZTQSA-N 2 0 336.480 1.958 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000999506400 707003767 /nfs/dbraw/zinc/00/37/67/707003767.db2.gz AOGGPWKKTXSUCI-DLBZAZTESA-N 2 0 346.475 1.655 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999572282 707078237 /nfs/dbraw/zinc/07/82/37/707078237.db2.gz CHENYJRFSFCZRU-MSOLQXFVSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC000999599338 707101919 /nfs/dbraw/zinc/10/19/19/707101919.db2.gz YWNSXIQLMFHJGL-OAHLLOKOSA-N 2 0 332.448 1.692 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2)C1)OC ZINC001033271269 707302396 /nfs/dbraw/zinc/30/23/96/707302396.db2.gz IKKCISMEZFAXGN-DLBZAZTESA-N 2 0 330.432 1.906 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999837561 707408386 /nfs/dbraw/zinc/40/83/86/707408386.db2.gz PMFMTXBFOMIJJP-WLYUNCDWSA-N 2 0 336.505 1.791 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC000999838572 707410347 /nfs/dbraw/zinc/41/03/47/707410347.db2.gz XZZTVSFRTGFKCK-FHERZECASA-N 2 0 332.448 1.121 20 0 EDADRP COC[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297757 707434130 /nfs/dbraw/zinc/43/41/30/707434130.db2.gz SYLXKAZZAXCNFU-WMZOPIPTSA-N 2 0 347.503 1.972 20 0 EDADRP CN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CCn2cc(Cl)cn2)C1 ZINC000999833542 707465877 /nfs/dbraw/zinc/46/58/77/707465877.db2.gz YTYUIDHJVVYLFJ-GRTSSRMGSA-N 2 0 339.871 1.067 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC000999871412 707514955 /nfs/dbraw/zinc/51/49/55/707514955.db2.gz KINWIOMUANTGCL-HNNXBMFYSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1cncn1CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1cncn1C ZINC001004896275 707579338 /nfs/dbraw/zinc/57/93/38/707579338.db2.gz NKNRWSYNHGXDQX-DOTOQJQBSA-N 2 0 344.463 1.484 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CC3CCC3)C2)nn1 ZINC000999960694 707623825 /nfs/dbraw/zinc/62/38/25/707623825.db2.gz FAOALPHTCJNVHQ-SJORKVTESA-N 2 0 346.479 1.035 20 0 EDADRP C[C@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004992286 707873310 /nfs/dbraw/zinc/87/33/10/707873310.db2.gz NTFQXCJZGHXDIP-DOTOQJQBSA-N 2 0 333.480 1.375 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033475013 707964795 /nfs/dbraw/zinc/96/47/95/707964795.db2.gz NTMSSZPQYDYBDZ-KRWDZBQOSA-N 2 0 337.508 1.820 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1 ZINC001032801262 708082607 /nfs/dbraw/zinc/08/26/07/708082607.db2.gz NFNZPAKNOOJMCL-BZSNNMDCSA-N 2 0 335.492 1.574 20 0 EDADRP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCCc3nc[nH]c32)CC1 ZINC001001139112 708099499 /nfs/dbraw/zinc/09/94/99/708099499.db2.gz JQBUQUBKLUYQKH-ZFWWWQNUSA-N 2 0 332.448 1.613 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001791679 708306039 /nfs/dbraw/zinc/30/60/39/708306039.db2.gz AFEZXKKFEOBJOZ-UHFFFAOYSA-N 2 0 347.507 1.399 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001824085 708326059 /nfs/dbraw/zinc/32/60/59/708326059.db2.gz BGPGLCHOXPGBMG-CZUORRHYSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001001826240 708329223 /nfs/dbraw/zinc/32/92/23/708329223.db2.gz TZYRNKZKRXJZFL-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)Cc2[nH]cnc2C)C1)C1CCC1 ZINC001033615911 708341505 /nfs/dbraw/zinc/34/15/05/708341505.db2.gz DBZOTAXNIMBDOX-NVXWUHKLSA-N 2 0 334.464 1.608 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831890 708357555 /nfs/dbraw/zinc/35/75/55/708357555.db2.gz BFXZTJUHYBTEMO-LPHOPBHVSA-N 2 0 344.503 1.916 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666787 708452576 /nfs/dbraw/zinc/45/25/76/708452576.db2.gz ZJZDOKOVXSFXEY-DLBZAZTESA-N 2 0 331.460 1.680 20 0 EDADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033685028 708498206 /nfs/dbraw/zinc/49/82/06/708498206.db2.gz RLICTDVRPDGCDF-MJGOQNOKSA-N 2 0 345.487 1.931 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001002121156 708634964 /nfs/dbraw/zinc/63/49/64/708634964.db2.gz OWNCKAZMRDHCRN-QGZVFWFLSA-N 2 0 346.475 1.370 20 0 EDADRP CCOC1CC(C[NH+]2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC001002125838 708640874 /nfs/dbraw/zinc/64/08/74/708640874.db2.gz KQGNXZIWTNZONL-LXPRWKDFSA-N 2 0 337.508 1.581 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC001002128819 708645670 /nfs/dbraw/zinc/64/56/70/708645670.db2.gz ZQQUHLBFSSNZMB-DLBZAZTESA-N 2 0 337.508 1.581 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005397349 708909288 /nfs/dbraw/zinc/90/92/88/708909288.db2.gz KAZUXFZRRBUWBI-GOSISDBHSA-N 2 0 345.491 1.185 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](C[C@H](C)OC)CC1 ZINC001005474935 709111241 /nfs/dbraw/zinc/11/12/41/709111241.db2.gz FGBMFWBBSOOQRE-RDJZCZTQSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@@]12CN(C(=O)[C@H]3CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702083417 709329550 /nfs/dbraw/zinc/32/95/50/709329550.db2.gz XFWIYZXSVUTAIT-CMKODMSKSA-N 2 0 327.472 1.967 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001002832120 709443126 /nfs/dbraw/zinc/44/31/26/709443126.db2.gz JZUPJXOKDJPAAV-MSOLQXFVSA-N 2 0 349.519 1.724 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)C1 ZINC001002850929 709461452 /nfs/dbraw/zinc/46/14/52/709461452.db2.gz DKUAFSQFDAJDQG-VSVYTNTFSA-N 2 0 337.508 1.722 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CCC[NH+]2C(C)C)C1 ZINC001034251110 709650700 /nfs/dbraw/zinc/65/07/00/709650700.db2.gz VWOMGZVZFURIMR-DLBZAZTESA-N 2 0 325.497 1.866 20 0 EDADRP COC(=O)COc1ccccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000922099008 709675442 /nfs/dbraw/zinc/67/54/42/709675442.db2.gz NDIZTSRCVIZFKP-UHFFFAOYSA-N 2 0 349.475 1.354 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003010783 709782708 /nfs/dbraw/zinc/78/27/08/709782708.db2.gz KYROWHBYNRGWAU-KRWDZBQOSA-N 2 0 347.507 1.764 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369766 709855867 /nfs/dbraw/zinc/85/58/67/709855867.db2.gz UZKXCUHCRVUFEI-IRXDYDNUSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034397290 709938079 /nfs/dbraw/zinc/93/80/79/709938079.db2.gz KBYZPCQHEXANLN-MAUKXSAKSA-N 2 0 343.487 1.552 20 0 EDADRP CCc1nocc1C[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525453 710175226 /nfs/dbraw/zinc/17/52/26/710175226.db2.gz NAAZUUMOAJEMGH-ZBFHGGJFSA-N 2 0 334.464 1.659 20 0 EDADRP CCc1nocc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034525450 710175717 /nfs/dbraw/zinc/17/57/17/710175717.db2.gz NAAZUUMOAJEMGH-GDBMZVCRSA-N 2 0 334.464 1.659 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001003283055 710220735 /nfs/dbraw/zinc/22/07/35/710220735.db2.gz CSCVPHBDSFIZTO-AWEZNQCLSA-N 2 0 343.431 1.496 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840118 710289055 /nfs/dbraw/zinc/28/90/55/710289055.db2.gz SXZVQKQHBMOKEA-OWLYRPNTSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncn2C)CC1 ZINC001034642160 710317885 /nfs/dbraw/zinc/31/78/85/710317885.db2.gz ADBQYMFQWIXNBB-JFIYKMOQSA-N 2 0 347.507 1.810 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001034642737 710318445 /nfs/dbraw/zinc/31/84/45/710318445.db2.gz KHGPBVIXTNWQBF-ZOBUZTSGSA-N 2 0 349.479 1.768 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034643357 710319481 /nfs/dbraw/zinc/31/94/81/710319481.db2.gz SKLRDSWTXZGJJA-ZOBUZTSGSA-N 2 0 348.495 1.205 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1 ZINC001034646150 710322291 /nfs/dbraw/zinc/32/22/91/710322291.db2.gz DDQXOBIPUUHNTM-BRSBDYLESA-N 2 0 337.508 1.913 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034648338 710324960 /nfs/dbraw/zinc/32/49/60/710324960.db2.gz IQMXTFHNTGNBEW-FHWLQOOXSA-N 2 0 349.519 1.772 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001003739394 710519997 /nfs/dbraw/zinc/51/99/97/710519997.db2.gz CQSRTSJFSWNJSY-DOTOQJQBSA-N 2 0 325.497 1.865 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000922270267 710557230 /nfs/dbraw/zinc/55/72/30/710557230.db2.gz SNVXSZOAAXFYPB-ROKHWSDSSA-N 2 0 348.413 1.795 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCF)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001034659010 710588161 /nfs/dbraw/zinc/58/81/61/710588161.db2.gz CKQXGJUOOOHHCZ-BFYDXBDKSA-N 2 0 341.471 1.616 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC001034673975 710637529 /nfs/dbraw/zinc/63/75/29/710637529.db2.gz IIULNJLQKLUMJU-ULQDDVLXSA-N 2 0 334.464 1.984 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005591178 710647422 /nfs/dbraw/zinc/64/74/22/710647422.db2.gz FWLSWTDWMFSOOQ-INIZCTEOSA-N 2 0 334.464 1.890 20 0 EDADRP O=C(Cc1ncc[nH]1)NC1CC[NH+](CCc2ccccc2F)CC1 ZINC001003847846 710698231 /nfs/dbraw/zinc/69/82/31/710698231.db2.gz ZFZOQNGKSOQWBJ-UHFFFAOYSA-N 2 0 330.407 1.915 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734669 710917344 /nfs/dbraw/zinc/91/73/44/710917344.db2.gz UYMIGIBQBMXKKI-YXWQFLTLSA-N 2 0 336.505 1.858 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034736581 710924122 /nfs/dbraw/zinc/92/41/22/710924122.db2.gz XFCQBYUWNKPFIF-DJIMGWMZSA-N 2 0 333.480 1.421 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[C@@H]([NH2+]C[C@H](C)O)CC1)[NH+]1CCCCCC1 ZINC001034749536 710956813 /nfs/dbraw/zinc/95/68/13/710956813.db2.gz LJFGBDFNZVARHZ-YVSFHVDLSA-N 2 0 325.497 1.649 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001032960640 710970627 /nfs/dbraw/zinc/97/06/27/710970627.db2.gz YCQQABQVWCLJLR-WMZOPIPTSA-N 2 0 349.450 1.831 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC001034775679 711049506 /nfs/dbraw/zinc/04/95/06/711049506.db2.gz FXUAEMCOYPMGLS-TUUVXOQKSA-N 2 0 349.479 1.798 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)nc1 ZINC001034777969 711057812 /nfs/dbraw/zinc/05/78/12/711057812.db2.gz NOKTXEOCHZIAMN-WKILWMFISA-N 2 0 343.475 1.398 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](NCc3csnn3)CC2)C1 ZINC001034779434 711086077 /nfs/dbraw/zinc/08/60/77/711086077.db2.gz UXXYOLQTVDGZBL-MGPQQGTHSA-N 2 0 337.493 1.397 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](NCc2nc(C)no2)CC1 ZINC001034796232 711116375 /nfs/dbraw/zinc/11/63/75/711116375.db2.gz GCEBUCCHXZEWMQ-JYJNAYRXSA-N 2 0 349.479 1.769 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034792402 711119101 /nfs/dbraw/zinc/11/91/01/711119101.db2.gz IVKCJHAZJVZWRC-YYIAUSFCSA-N 2 0 345.491 1.815 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034793374 711123904 /nfs/dbraw/zinc/12/39/04/711123904.db2.gz YNNPQTRAFYSGHK-FVQBIDKESA-N 2 0 334.464 1.706 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001003976293 711175702 /nfs/dbraw/zinc/17/57/02/711175702.db2.gz PQHBIRFVCHNRJQ-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]Cc3cccnc3)cc2)C1 ZINC001034830775 711236808 /nfs/dbraw/zinc/23/68/08/711236808.db2.gz DIMSFUPTRAIETC-IBGZPJMESA-N 2 0 338.455 1.939 20 0 EDADRP CCc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)o1 ZINC001034884304 711287374 /nfs/dbraw/zinc/28/73/74/711287374.db2.gz DNMXIBHNYUUJIR-HUUCEWRRSA-N 2 0 334.464 1.720 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001034956917 711427434 /nfs/dbraw/zinc/42/74/34/711427434.db2.gz GKBPNUSLPSDFSM-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1csc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)n1 ZINC001034958264 711431605 /nfs/dbraw/zinc/43/16/05/711431605.db2.gz FROJEOMQYDLBSD-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)nn1C ZINC001034940284 711443372 /nfs/dbraw/zinc/44/33/72/711443372.db2.gz ZDMOHPOJXSFXOO-DJIMGWMZSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001034940393 711443948 /nfs/dbraw/zinc/44/39/48/711443948.db2.gz COKUVVCSOGQELS-MSOLQXFVSA-N 2 0 345.491 1.151 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccnc(OC)n3)C2)[C@@H]1C(C)C ZINC000922395578 711469089 /nfs/dbraw/zinc/46/90/89/711469089.db2.gz UAQIZZKNJMXOLM-CBZIJGRNSA-N 2 0 334.464 1.445 20 0 EDADRP C[C@H]1[C@H](NC(=O)NC[C@@H]2CCC[NH+](C)[C@H]2c2ccnn2C)CC[N@@H+]1C ZINC000922411445 711486625 /nfs/dbraw/zinc/48/66/25/711486625.db2.gz AGLVYFNSMKHAMT-LJIGWXMPSA-N 2 0 348.495 1.195 20 0 EDADRP Cc1nsc(C)c1C[NH+]1CCC(NC(=O)C[NH+]2CCCC2)CC1 ZINC001004147845 711560256 /nfs/dbraw/zinc/56/02/56/711560256.db2.gz MHTXTVUBHBABDR-UHFFFAOYSA-N 2 0 336.505 1.936 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001004147921 711560357 /nfs/dbraw/zinc/56/03/57/711560357.db2.gz OAYNWZGVTCLGBN-AWEZNQCLSA-N 2 0 331.407 1.087 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1C1CCN(C(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)CC1 ZINC001004490756 711869853 /nfs/dbraw/zinc/86/98/53/711869853.db2.gz TXUMFDKPQHHEAM-TXQOSWKISA-N 2 0 347.503 1.573 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033126423 711889595 /nfs/dbraw/zinc/88/95/95/711889595.db2.gz NBFIZOMGWHWGCY-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCCO)CC1)[NH+](C)C ZINC001004538376 711944063 /nfs/dbraw/zinc/94/40/63/711944063.db2.gz CUCJIYTYASORBB-ZWKOTPCHSA-N 2 0 339.524 1.658 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004597578 712040192 /nfs/dbraw/zinc/04/01/92/712040192.db2.gz SGROAUSAVIDMKP-FUHWJXTLSA-N 2 0 337.508 1.414 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001004599118 712043185 /nfs/dbraw/zinc/04/31/85/712043185.db2.gz CJNABMKVCTYMBY-NVXWUHKLSA-N 2 0 335.492 1.166 20 0 EDADRP CCOCC[N@@H+]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C[C@@H]1CC ZINC000431094940 305075043 /nfs/dbraw/zinc/07/50/43/305075043.db2.gz CYDMHXZIUHOOKO-ZDUSSCGKSA-N 2 0 325.457 1.196 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000173861614 231053852 /nfs/dbraw/zinc/05/38/52/231053852.db2.gz DFDQJRRMMSUEDN-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000354004003 282213618 /nfs/dbraw/zinc/21/36/18/282213618.db2.gz WMSZMZZVVKTSOB-BDXSIMOUSA-N 2 0 335.492 1.571 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346852702 282272012 /nfs/dbraw/zinc/27/20/12/282272012.db2.gz XEKCDQRODQFMTN-XIRDDKMYSA-N 2 0 333.480 1.124 20 0 EDADRP CCNC(=O)CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534169 215051183 /nfs/dbraw/zinc/05/11/83/215051183.db2.gz FGBLKNHPAOLWJF-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000561199943 306284373 /nfs/dbraw/zinc/28/43/73/306284373.db2.gz VMWUISQHKTWKGA-MSOLQXFVSA-N 2 0 346.475 1.268 20 0 EDADRP Cc1csc(=O)n1CC[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333839743 539654907 /nfs/dbraw/zinc/65/49/07/539654907.db2.gz KYSHJWUGMJLJAS-CABCVRRESA-N 2 0 325.478 1.437 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CC(=O)NCC3CCCCC3)CC2)C1 ZINC000333879404 539656234 /nfs/dbraw/zinc/65/62/34/539656234.db2.gz UECDMPSWFUMEMX-ZWKOTPCHSA-N 2 0 337.508 1.901 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000343015034 539776181 /nfs/dbraw/zinc/77/61/81/539776181.db2.gz PINQJRAITCMIMB-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP Cn1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c([C@H]2CCC[NH2+]C2)n1 ZINC000562809578 306310010 /nfs/dbraw/zinc/31/00/10/306310010.db2.gz CDUXCXIXJQGLJJ-DZGCQCFKSA-N 2 0 333.480 1.395 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000377536845 291049611 /nfs/dbraw/zinc/04/96/11/291049611.db2.gz XNQUNQFPUJJNCL-UIBIWLFHSA-N 2 0 345.443 1.028 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH+]ccc2N(C)C)C[C@@H](C)O1 ZINC000183601834 235158505 /nfs/dbraw/zinc/15/85/05/235158505.db2.gz MOAHDFZQWJEVDW-HUUCEWRRSA-N 2 0 334.464 1.767 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187035065 540153206 /nfs/dbraw/zinc/15/32/06/540153206.db2.gz ATVMIJNCRRWEIO-BRWVUGGUSA-N 2 0 340.512 1.374 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](CCOC)[C@H](CC)C1 ZINC000352033558 283168004 /nfs/dbraw/zinc/16/80/04/283168004.db2.gz USOIPDLCDNPSNE-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000074011133 138222621 /nfs/dbraw/zinc/22/26/21/138222621.db2.gz WDSSWHUKSDVJHT-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP Cn1nccc1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000092426897 138288762 /nfs/dbraw/zinc/28/87/62/138288762.db2.gz ZEXJABLISDUNJG-UHFFFAOYSA-N 2 0 335.496 1.336 20 0 EDADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)s1 ZINC000092746454 138290248 /nfs/dbraw/zinc/29/02/48/138290248.db2.gz OVINZSUMWHHUMO-UONOGXRCSA-N 2 0 340.537 1.927 20 0 EDADRP CN(CC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1)c1ccccc1 ZINC000131224153 138354663 /nfs/dbraw/zinc/35/46/63/138354663.db2.gz SFUSIWGSOUCIGQ-GOSISDBHSA-N 2 0 330.476 1.537 20 0 EDADRP CC(C)CC[C@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000563704667 306345666 /nfs/dbraw/zinc/34/56/66/306345666.db2.gz ANDCNJAJMKDARG-KRWDZBQOSA-N 2 0 327.513 1.170 20 0 EDADRP CCC(=O)N1CCC[N@H+](Cc2cccc(CN3CCOCC3)c2)CC1 ZINC000563803490 306347691 /nfs/dbraw/zinc/34/76/91/306347691.db2.gz ZDRQNTSNOAKNPG-UHFFFAOYSA-N 2 0 345.487 1.963 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)c1 ZINC000563874667 306350947 /nfs/dbraw/zinc/35/09/47/306350947.db2.gz YLDFNMOGLOJPCK-ZWKOTPCHSA-N 2 0 330.476 1.936 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[NH2+]C1CCCCCC1 ZINC000564553298 306360432 /nfs/dbraw/zinc/36/04/32/306360432.db2.gz OYJAOYPWWVYZDX-UHFFFAOYSA-N 3 0 341.544 1.434 20 0 EDADRP C[C@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000565351212 306382066 /nfs/dbraw/zinc/38/20/66/306382066.db2.gz XBRTVGPXYABFKS-KDOFPFPSSA-N 2 0 331.460 1.651 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000131140417 223208751 /nfs/dbraw/zinc/20/87/51/223208751.db2.gz CMHFJNCXZDDKIW-GOSISDBHSA-N 2 0 330.476 1.539 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000072597185 216279479 /nfs/dbraw/zinc/27/94/79/216279479.db2.gz VJJSGBUITZSEMM-UHFFFAOYSA-N 2 0 345.487 1.554 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)cn1 ZINC000414132889 304101535 /nfs/dbraw/zinc/10/15/35/304101535.db2.gz ZZIPWGAUCGAPCG-INIZCTEOSA-N 2 0 334.508 1.884 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(C[N@@H+]3CCC[C@H](C)C3)cc2)C1 ZINC000187904253 138829664 /nfs/dbraw/zinc/82/96/64/138829664.db2.gz WTPGOPOBCJFHKN-ZYSHUDEJSA-N 2 0 345.487 1.912 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073131305 216353768 /nfs/dbraw/zinc/35/37/68/216353768.db2.gz UIERXNRLGVOIJT-UHFFFAOYSA-N 2 0 349.475 1.468 20 0 EDADRP CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1 ZINC000414488169 304118750 /nfs/dbraw/zinc/11/87/50/304118750.db2.gz TXSMCNHONWVSQX-UHFFFAOYSA-N 2 0 347.503 1.972 20 0 EDADRP COc1cc(C)nc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414489404 304119825 /nfs/dbraw/zinc/11/98/25/304119825.db2.gz VTVXRRHLHBADEO-UHFFFAOYSA-N 2 0 348.491 1.285 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)C1 ZINC000414702414 304129972 /nfs/dbraw/zinc/12/99/72/304129972.db2.gz WXUZLFIWKKPHQI-BZUAXINKSA-N 2 0 339.480 1.108 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000414710007 304131153 /nfs/dbraw/zinc/13/11/53/304131153.db2.gz RHCLGGMKRJNPAK-VKJFTORMSA-N 2 0 349.450 1.785 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C(C)C)[NH+]1CCCC1 ZINC000414737935 304135433 /nfs/dbraw/zinc/13/54/33/304135433.db2.gz OQEZDZICIYFLKT-QGZVFWFLSA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414747586 304136802 /nfs/dbraw/zinc/13/68/02/304136802.db2.gz HDOTYUNBMAEJHF-KRWDZBQOSA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414842965 304146837 /nfs/dbraw/zinc/14/68/37/304146837.db2.gz ZWNFQODNXPYAJP-INIZCTEOSA-N 2 0 346.475 1.725 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[C@@H](C[NH3+])C2)cc1OC ZINC000415047858 304154226 /nfs/dbraw/zinc/15/42/26/304154226.db2.gz WKRGVLVKAQKSOK-UKRRQHHQSA-N 2 0 335.448 1.427 20 0 EDADRP CCCOc1ccc(Br)cc1CN(C)C[C@@H](O)C[NH3+] ZINC000415054354 304155077 /nfs/dbraw/zinc/15/50/77/304155077.db2.gz LOGQWAKLMBZWOV-ZDUSSCGKSA-N 2 0 331.254 1.989 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+][C@@H](C)[C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077843 304158200 /nfs/dbraw/zinc/15/82/00/304158200.db2.gz FQPRNGKIZQWXAG-XIRDDKMYSA-N 2 0 333.476 1.866 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2-n2cccn2)C1 ZINC000415093787 304159304 /nfs/dbraw/zinc/15/93/04/304159304.db2.gz VYPUSQYYJVFHMP-HNNXBMFYSA-N 2 0 327.432 1.159 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000415115088 304160941 /nfs/dbraw/zinc/16/09/41/304160941.db2.gz TZSNVFFWDUXFPQ-QGZVFWFLSA-N 2 0 344.459 1.561 20 0 EDADRP [NH3+]CCc1nc(C(=O)NC2CC[NH+](Cc3ccncc3)CC2)cs1 ZINC000194828142 139000790 /nfs/dbraw/zinc/00/07/90/139000790.db2.gz JFIXUEMZIWVGGL-UHFFFAOYSA-N 2 0 345.472 1.434 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NCC2CC[NH2+]CC2)C1 ZINC000415124134 304162078 /nfs/dbraw/zinc/16/20/78/304162078.db2.gz QKSJMGUTXHWAIV-KRWDZBQOSA-N 2 0 330.476 1.795 20 0 EDADRP Cc1nc2ccccn2c1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415136428 304163095 /nfs/dbraw/zinc/16/30/95/304163095.db2.gz HJJDGYSVQNQEEQ-WBVHZDCISA-N 2 0 326.444 1.843 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415156537 304167082 /nfs/dbraw/zinc/16/70/82/304167082.db2.gz ZUVVKKLJBBUJGX-IAGOWNOFSA-N 2 0 344.459 1.430 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000236684718 139028637 /nfs/dbraw/zinc/02/86/37/139028637.db2.gz BFSZDDLHFRRAAQ-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP CCC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000236823723 139032828 /nfs/dbraw/zinc/03/28/28/139032828.db2.gz HLWREPAPLUCNPF-SFHVURJKSA-N 2 0 332.492 1.390 20 0 EDADRP COCC[NH2+]CC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000237171611 139042902 /nfs/dbraw/zinc/04/29/02/139042902.db2.gz XZBSTTBNWSMJEW-AYHJJNSGSA-N 2 0 331.460 1.534 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000567382536 306449855 /nfs/dbraw/zinc/44/98/55/306449855.db2.gz JMWDYBLJPOGUQV-IAGOWNOFSA-N 2 0 331.464 1.508 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000237605173 139055374 /nfs/dbraw/zinc/05/53/74/139055374.db2.gz JRKNGZRJVYDUEU-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237665420 139057487 /nfs/dbraw/zinc/05/74/87/139057487.db2.gz MVDBUYIEIBTSCH-IYBDPMFKSA-N 2 0 325.497 1.772 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)[C@@H]1COCCN1 ZINC000237671049 139057593 /nfs/dbraw/zinc/05/75/93/139057593.db2.gz QEZGWXJOOFDWOK-INIZCTEOSA-N 2 0 337.851 1.409 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CCC[C@H]3C[NH3+])CC2)c1 ZINC000237718587 139058525 /nfs/dbraw/zinc/05/85/25/139058525.db2.gz KMADUVJPEXMIHY-SFHVURJKSA-N 2 0 330.476 1.457 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000237799081 139060679 /nfs/dbraw/zinc/06/06/79/139060679.db2.gz WNLQBJVXOMISNM-IBGZPJMESA-N 2 0 345.487 1.832 20 0 EDADRP CC[NH+]1CCN(CCNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000111660843 220177823 /nfs/dbraw/zinc/17/78/23/220177823.db2.gz CGIOHSUCUPAGQH-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000567572595 306455401 /nfs/dbraw/zinc/45/54/01/306455401.db2.gz JCGBSSXNVHGVEL-NXHRZFHOSA-N 2 0 330.476 1.760 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000237954936 139064975 /nfs/dbraw/zinc/06/49/75/139064975.db2.gz XISITNRCYUTZBJ-UHFFFAOYSA-N 2 0 344.459 1.450 20 0 EDADRP C[C@@H](CNC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1)[NH+](C)C1CC1 ZINC000246335966 139104547 /nfs/dbraw/zinc/10/45/47/139104547.db2.gz BKMUPNMXXFRFGF-LSDHHAIUSA-N 2 0 338.496 1.364 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000368712552 296268568 /nfs/dbraw/zinc/26/85/68/296268568.db2.gz ORHCUPNENIPMLX-HZPDHXFCSA-N 2 0 331.464 1.412 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000362808963 296268572 /nfs/dbraw/zinc/26/85/72/296268572.db2.gz NADRUFBHTMLIBP-CVEARBPZSA-N 2 0 331.464 1.508 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000348323761 284690785 /nfs/dbraw/zinc/69/07/85/284690785.db2.gz WYMIVTDSVGSYOE-YESZJQIVSA-N 2 0 345.553 1.758 20 0 EDADRP CCOC[C@@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](COCC)C3)COC2)C1 ZINC000248418505 139162931 /nfs/dbraw/zinc/16/29/31/139162931.db2.gz KJKHTWFPJCJBKE-QZTJIDSGSA-N 2 0 340.508 1.720 20 0 EDADRP COC(=O)c1ccccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000092615516 218155065 /nfs/dbraw/zinc/15/50/65/218155065.db2.gz CQFOQXWNLVJEGP-UHFFFAOYSA-N 2 0 347.459 1.363 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415412806 304216972 /nfs/dbraw/zinc/21/69/72/304216972.db2.gz NGAUCVZUDADPEP-MLGOLLRUSA-N 2 0 332.448 1.146 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415415383 304217465 /nfs/dbraw/zinc/21/74/65/304217465.db2.gz HYTQLUGJKKTDCA-AWEZNQCLSA-N 2 0 332.448 1.069 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@@H](O)C(F)(F)F ZINC000249285029 139190338 /nfs/dbraw/zinc/19/03/38/139190338.db2.gz IGEVAMCSZPOWKQ-ZIAGYGMSSA-N 2 0 347.381 1.261 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)C(C)C ZINC000261604355 139210049 /nfs/dbraw/zinc/21/00/49/139210049.db2.gz ACZBOORPMUZDAY-IIDMSEBBSA-N 2 0 325.497 1.754 20 0 EDADRP CC(C)n1cc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cn1 ZINC000261642091 139213830 /nfs/dbraw/zinc/21/38/30/139213830.db2.gz IOYOATRRWHVLSD-WBVHZDCISA-N 2 0 333.480 1.544 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000261688558 139217663 /nfs/dbraw/zinc/21/76/63/139217663.db2.gz NIWQLGHCEYXVES-UXLLHSPISA-N 2 0 326.444 1.781 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261722411 139220580 /nfs/dbraw/zinc/22/05/80/139220580.db2.gz JISHCYIJZPLGOT-GOSISDBHSA-N 2 0 349.450 1.660 20 0 EDADRP CN(C(=O)CC[C@@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000261751802 139223023 /nfs/dbraw/zinc/22/30/23/139223023.db2.gz HIXBPXJYYHVVOY-QGZVFWFLSA-N 2 0 344.503 1.937 20 0 EDADRP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261787891 139225987 /nfs/dbraw/zinc/22/59/87/139225987.db2.gz FZYJCJAYHHCYGP-RDJZCZTQSA-N 2 0 333.480 1.544 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261893888 139234690 /nfs/dbraw/zinc/23/46/90/139234690.db2.gz CRPWHRDHBBEJRB-KRWDZBQOSA-N 2 0 328.460 1.552 20 0 EDADRP C[C@H]1CCCN(Cc2csc(NC(=O)C3([NH3+])CCOCC3)n2)C1 ZINC000261917935 139236910 /nfs/dbraw/zinc/23/69/10/139236910.db2.gz USJQMBVAAICZHD-LBPRGKRZSA-N 2 0 338.477 1.821 20 0 EDADRP C[C@@]1(C[NH3+])CCN(CC(=O)NCC2(c3ccccc3)CCOCC2)C1 ZINC000261918093 139236947 /nfs/dbraw/zinc/23/69/47/139236947.db2.gz YIPPBSUWXZDZMK-IBGZPJMESA-N 2 0 345.487 1.522 20 0 EDADRP COc1ccc(CCC(=O)N2CCN(C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261953913 139239675 /nfs/dbraw/zinc/23/96/75/139239675.db2.gz GHYZLVPQSJUUQW-FQEVSTJZSA-N 2 0 345.487 1.772 20 0 EDADRP [NH3+]C1(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)CCOCC1 ZINC000261952531 139239720 /nfs/dbraw/zinc/23/97/20/139239720.db2.gz ZETAKMAQTQMBMX-UHFFFAOYSA-N 2 0 341.521 1.362 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261941130 139238855 /nfs/dbraw/zinc/23/88/55/139238855.db2.gz MXIZMADAMMPCDB-KZNAEPCWSA-N 2 0 331.460 1.335 20 0 EDADRP CCc1nc2ccccc2n1CC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000262035774 139245507 /nfs/dbraw/zinc/24/55/07/139245507.db2.gz ONAQQNXQVZDTQF-UHFFFAOYSA-N 2 0 344.459 1.731 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000262064779 139247928 /nfs/dbraw/zinc/24/79/28/139247928.db2.gz OISDOGRMOXBDJB-DZGCQCFKSA-N 2 0 325.478 1.496 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2)CC1 ZINC000262144512 139254748 /nfs/dbraw/zinc/25/47/48/139254748.db2.gz HKFOWQHSBMPEFL-SJORKVTESA-N 2 0 333.480 1.056 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)c1 ZINC000415553903 251008239 /nfs/dbraw/zinc/00/82/39/251008239.db2.gz GWOZCORHXKOLJS-GJZGRUSLSA-N 2 0 346.475 1.676 20 0 EDADRP COCC1(CNC(=O)Nc2ccccc2CC[NH+](C)C)CC[NH2+]CC1 ZINC000415553288 251007888 /nfs/dbraw/zinc/00/78/88/251007888.db2.gz ALZSVVBRLXSWKB-UHFFFAOYSA-N 2 0 348.491 1.928 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2cccc(C[NH2+]C)c2)CC[N@@H+]1C[C@@H](C)O ZINC000415941075 251036302 /nfs/dbraw/zinc/03/63/02/251036302.db2.gz GFOBZRZDFYXNNZ-RHSMWYFYSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NCCN2CCC([NH+](C)C)CC2)c1 ZINC000415945126 251036446 /nfs/dbraw/zinc/03/64/46/251036446.db2.gz QTMNBEBRNDUXHH-UHFFFAOYSA-N 2 0 333.480 1.554 20 0 EDADRP Cc1cccc(OCC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000262210598 139260361 /nfs/dbraw/zinc/26/03/61/139260361.db2.gz LOQRMDCREOLGRG-PKOBYXMFSA-N 2 0 345.487 1.954 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000415949608 251039179 /nfs/dbraw/zinc/03/91/79/251039179.db2.gz ZURMIMUWUZSZQT-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP CS[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@H]1[NH+](C)C ZINC000415949295 251039455 /nfs/dbraw/zinc/03/94/55/251039455.db2.gz VUKCRERKJRADRL-HUUCEWRRSA-N 2 0 338.477 1.533 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)[C@H](C)C[NH2+]1 ZINC000415570753 304228260 /nfs/dbraw/zinc/22/82/60/304228260.db2.gz SRUUVHBBTNHZEO-PBFPGSCMSA-N 2 0 344.459 1.383 20 0 EDADRP CCO[C@@H]1C[C@@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C12CCCCC2 ZINC000262221193 139261228 /nfs/dbraw/zinc/26/12/28/139261228.db2.gz UOCPWMRRPCEXMX-IAGOWNOFSA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC1CC[NH2+]CC1)Cc1ccccc1 ZINC000417009156 251128217 /nfs/dbraw/zinc/12/82/17/251128217.db2.gz MXYFWULGRJBNRN-SFHVURJKSA-N 2 0 332.492 1.991 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)[C@H](C)C[NH3+])cc1 ZINC000416999036 251125660 /nfs/dbraw/zinc/12/56/60/251125660.db2.gz XKVHQQVFNNXFAB-OAHLLOKOSA-N 2 0 336.480 1.896 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[C@H](O)C[NH2+]2)C1 ZINC000262325744 139270486 /nfs/dbraw/zinc/27/04/86/139270486.db2.gz DLQDPECTABCMQI-QXGSTGNESA-N 2 0 345.487 1.504 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1)c1ccccc1 ZINC000417518867 251182197 /nfs/dbraw/zinc/18/21/97/251182197.db2.gz TXXUXIWQKCQZBD-NJAFHUGGSA-N 2 0 348.491 1.685 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262363426 139273380 /nfs/dbraw/zinc/27/33/80/139273380.db2.gz KRWHJTGVOUDMSJ-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP O=C(N1CC[NH+](CC2CCOCC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000262366724 139273600 /nfs/dbraw/zinc/27/36/00/139273600.db2.gz LEPGDFHBQDELFL-PKOBYXMFSA-N 2 0 335.492 1.337 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262379730 139274592 /nfs/dbraw/zinc/27/45/92/139274592.db2.gz WXZZWENIPFAOBV-UHFFFAOYSA-N 2 0 341.459 1.971 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N[C@H]1CC[NH2+]C1 ZINC000417591380 251199182 /nfs/dbraw/zinc/19/91/82/251199182.db2.gz IIRUVFPDTATIPS-INIZCTEOSA-N 2 0 332.448 1.322 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+][C@H](C)C2)[C@@H](C)C1 ZINC000417667352 251220417 /nfs/dbraw/zinc/22/04/17/251220417.db2.gz GJQGSEMAULDFSE-ARFHVFGLSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000262394226 139276005 /nfs/dbraw/zinc/27/60/05/139276005.db2.gz YDMFZDBDVZQDMF-HNNXBMFYSA-N 2 0 331.460 1.305 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000417699230 251232990 /nfs/dbraw/zinc/23/29/90/251232990.db2.gz GWNYDURUQSRYDF-MRXNPFEDSA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000417764284 251261317 /nfs/dbraw/zinc/26/13/17/251261317.db2.gz LTDDWGVSDWUBDK-INIZCTEOSA-N 2 0 339.528 1.363 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC000417751093 251254621 /nfs/dbraw/zinc/25/46/21/251254621.db2.gz LBFXOAZZESKFHB-HZPDHXFCSA-N 2 0 327.517 1.077 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078427 251320934 /nfs/dbraw/zinc/32/09/34/251320934.db2.gz VVMVWRGSSCEZMS-RDJZCZTQSA-N 2 0 334.464 1.314 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NCC2([NH3+])CCCCC2)CCCO1 ZINC000418112215 251326514 /nfs/dbraw/zinc/32/65/14/251326514.db2.gz IADUGTFBVKZCPC-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCO1 ZINC000418111283 251326863 /nfs/dbraw/zinc/32/68/63/251326863.db2.gz GRLPPHNJZPWCMR-RDJZCZTQSA-N 2 0 340.512 1.694 20 0 EDADRP C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@@H]1C[NH3+] ZINC000418112128 251327008 /nfs/dbraw/zinc/32/70/08/251327008.db2.gz HUYJUCGYOMSUBH-XHSDSOJGSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@]2(C)CCC[NH2+]C2)CCCO1 ZINC000418122822 251334810 /nfs/dbraw/zinc/33/48/10/251334810.db2.gz YITFDDUZAPPRFK-WBVHZDCISA-N 2 0 326.485 1.176 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418437182 251370104 /nfs/dbraw/zinc/37/01/04/251370104.db2.gz CQEVTLASJHLGGQ-MJGOQNOKSA-N 2 0 348.491 1.440 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418435527 251370134 /nfs/dbraw/zinc/37/01/34/251370134.db2.gz AOGXYXIUQKNARZ-BZUAXINKSA-N 2 0 326.485 1.432 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000418306879 251357899 /nfs/dbraw/zinc/35/78/99/251357899.db2.gz KQZLYKIBWKEUAD-IAGOWNOFSA-N 2 0 332.448 1.192 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000418321805 251360012 /nfs/dbraw/zinc/36/00/12/251360012.db2.gz CSDWNCAOZLAZRD-FUHWJXTLSA-N 2 0 334.464 1.176 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418405365 251364957 /nfs/dbraw/zinc/36/49/57/251364957.db2.gz KZBRMKIYZSXZKS-APHBMKBZSA-N 2 0 340.418 1.693 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418715056 251392957 /nfs/dbraw/zinc/39/29/57/251392957.db2.gz ZDHJMSBBZQXQMK-RLFYNMQTSA-N 2 0 334.464 1.001 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418534588 251377710 /nfs/dbraw/zinc/37/77/10/251377710.db2.gz XLYUXYYRLOUIOG-LBPRGKRZSA-N 2 0 328.407 1.775 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418688289 251386919 /nfs/dbraw/zinc/38/69/19/251386919.db2.gz MYBWHLOHOYYUAI-BPQIPLTHSA-N 2 0 348.491 1.296 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418764742 251420861 /nfs/dbraw/zinc/42/08/61/251420861.db2.gz JMJBTVBSMDBLJD-SJORKVTESA-N 2 0 340.512 1.661 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262653210 139293371 /nfs/dbraw/zinc/29/33/71/139293371.db2.gz SNNFXLOEGQXOBH-OAGGEKHMSA-N 2 0 344.459 1.450 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000262707251 139297928 /nfs/dbraw/zinc/29/79/28/139297928.db2.gz NFZAEFJQWPAADV-DLBZAZTESA-N 2 0 346.475 1.128 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cc(Cl)sc1Cl ZINC000420459349 251730426 /nfs/dbraw/zinc/73/04/26/251730426.db2.gz QVKWTGABFZJBRS-UHFFFAOYSA-N 2 0 346.305 1.743 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1C[NH+](C)C ZINC000415594407 304235108 /nfs/dbraw/zinc/23/51/08/304235108.db2.gz KQYBLTPOCNVCPY-BHYGNILZSA-N 2 0 344.459 1.191 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC[NH2+]1 ZINC000262799098 139304475 /nfs/dbraw/zinc/30/44/75/139304475.db2.gz DWAAUFQOHREABB-MAUKXSAKSA-N 2 0 330.476 1.304 20 0 EDADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H](C)[NH3+])c(OC)c1 ZINC000422883608 252009558 /nfs/dbraw/zinc/00/95/58/252009558.db2.gz CNLJPSUNMGCJRC-APHBMKBZSA-N 2 0 338.448 1.597 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000422891249 252014006 /nfs/dbraw/zinc/01/40/06/252014006.db2.gz UXPUTQDUXCKNJR-QAPCUYQASA-N 3 0 332.492 1.601 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422896279 252014965 /nfs/dbraw/zinc/01/49/65/252014965.db2.gz IBGNQWYZJRYSNP-RTBURBONSA-N 2 0 333.476 1.484 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000422856251 252002623 /nfs/dbraw/zinc/00/26/23/252002623.db2.gz FVBFXKYITBMUCL-MSOLQXFVSA-N 2 0 333.476 1.910 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc(Br)s1 ZINC000423178141 252042637 /nfs/dbraw/zinc/04/26/37/252042637.db2.gz KHNSSVOLNAUVTF-SNVBAGLBSA-N 2 0 333.299 1.852 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423176777 252042861 /nfs/dbraw/zinc/04/28/61/252042861.db2.gz HSZKTRBJTWFLII-CQSZACIVSA-N 2 0 340.493 1.004 20 0 EDADRP COC(=O)c1coc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423511324 252058542 /nfs/dbraw/zinc/05/85/42/252058542.db2.gz OQIIZCZXPKJVHF-JEYLPNPQSA-N 2 0 335.448 1.933 20 0 EDADRP Cn1cnc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424024287 252117325 /nfs/dbraw/zinc/11/73/25/252117325.db2.gz WUIBPTGYHKWWCR-UHFFFAOYSA-N 2 0 327.432 1.143 20 0 EDADRP C[C@@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[C@H]([NH3+])c1ccccc1 ZINC000424035176 252121411 /nfs/dbraw/zinc/12/14/11/252121411.db2.gz DVGRDGWKAKCMED-BGTYHANMSA-N 2 0 343.471 1.550 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000423793687 252077900 /nfs/dbraw/zinc/07/79/00/252077900.db2.gz JAZYDZJQFZWZAJ-MSOLQXFVSA-N 2 0 337.508 1.855 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000424157008 252147406 /nfs/dbraw/zinc/14/74/06/252147406.db2.gz QFONJFRKWIRKGZ-OAHLLOKOSA-N 2 0 333.480 1.349 20 0 EDADRP [NH3+][C@@H](CCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)CC1CCCCC1 ZINC000424176788 252154631 /nfs/dbraw/zinc/15/46/31/252154631.db2.gz PIJXNNSHMSQZSH-ROUUACIJSA-N 2 0 336.524 1.570 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000424190289 252158219 /nfs/dbraw/zinc/15/82/19/252158219.db2.gz PIQXTQOXMXDQGR-AWEZNQCLSA-N 2 0 331.464 1.481 20 0 EDADRP COC(=O)CC1CC([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC000424308696 252194725 /nfs/dbraw/zinc/19/47/25/252194725.db2.gz HAAPQUGKSATHEW-JEVOJNTISA-N 2 0 346.471 1.801 20 0 EDADRP C[C@H](CNC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C[NH+]1CCCC1 ZINC000112275636 220281577 /nfs/dbraw/zinc/28/15/77/220281577.db2.gz CITNSRYOOVWWNK-MRXNPFEDSA-N 2 0 345.491 1.295 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000360118255 285186166 /nfs/dbraw/zinc/18/61/66/285186166.db2.gz HPBYGLAMQGXBIC-UHFFFAOYSA-N 2 0 337.508 1.964 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000426550978 254495752 /nfs/dbraw/zinc/49/57/52/254495752.db2.gz DJWPKZKMHUCDHM-HZPDHXFCSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1)Cc1ccccc1 ZINC000487524652 255031646 /nfs/dbraw/zinc/03/16/46/255031646.db2.gz XXAIFOJDMSHPSE-QUCCMNQESA-N 2 0 344.503 1.897 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccn1 ZINC000340079521 285251096 /nfs/dbraw/zinc/25/10/96/285251096.db2.gz HOGZRDYGOZVJHN-OAHLLOKOSA-N 2 0 340.493 1.118 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000492261221 255166054 /nfs/dbraw/zinc/16/60/54/255166054.db2.gz VJFARXOUKKYCSN-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740397 255260166 /nfs/dbraw/zinc/26/01/66/255260166.db2.gz PGVLWTMRVMWRGS-GJZGRUSLSA-N 2 0 334.464 1.511 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000496239702 255369117 /nfs/dbraw/zinc/36/91/17/255369117.db2.gz QCNDBVVUOJJOJY-XHSDSOJGSA-N 2 0 341.496 1.869 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000415800898 304274435 /nfs/dbraw/zinc/27/44/35/304274435.db2.gz DVXRSWGIGBNCAM-ZBFHGGJFSA-N 2 0 346.475 1.629 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1ccccn1 ZINC000449826753 285279215 /nfs/dbraw/zinc/27/92/15/285279215.db2.gz SJCMNSFOUKNJEL-SJORKVTESA-N 2 0 348.491 1.723 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCn2ccnc21 ZINC000370020791 285280607 /nfs/dbraw/zinc/28/06/07/285280607.db2.gz RXIMYGGPQMWLMT-IRXDYDNUSA-N 2 0 347.507 1.635 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000415825777 304277774 /nfs/dbraw/zinc/27/77/74/304277774.db2.gz AXVUOAGCNPKMCM-YOEHRIQHSA-N 2 0 344.459 1.069 20 0 EDADRP O=C(C[C@H]1CN(Cc2ccccc2)CCO1)NCC[NH+]1CCCCC1 ZINC000155085290 224355109 /nfs/dbraw/zinc/35/51/09/224355109.db2.gz XAVJYTAJBXUAQX-IBGZPJMESA-N 2 0 345.487 1.880 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415836727 304279827 /nfs/dbraw/zinc/27/98/27/304279827.db2.gz FRLGEDBLGVASDK-KNXALSJPSA-N 2 0 330.432 1.122 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000296036750 258012249 /nfs/dbraw/zinc/01/22/49/258012249.db2.gz ARFYJTGNZNZKAB-HZPDHXFCSA-N 2 0 349.500 1.597 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)Nc2cccc(F)c2)CC1 ZINC000264281775 139393199 /nfs/dbraw/zinc/39/31/99/139393199.db2.gz HKZXFBQJWDTYRF-CQSZACIVSA-N 2 0 337.439 1.789 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)ccc1C[NH+](C)C ZINC000415870213 304283087 /nfs/dbraw/zinc/28/30/87/304283087.db2.gz OMTJGFFNCQGMLK-HZPDHXFCSA-N 2 0 344.459 1.063 20 0 EDADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415886405 304284565 /nfs/dbraw/zinc/28/45/65/304284565.db2.gz UVFIJFMMJCNDKV-GOSISDBHSA-N 2 0 346.475 1.691 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000415915513 304285135 /nfs/dbraw/zinc/28/51/35/304285135.db2.gz FOMQNYPZWCTALB-QGZVFWFLSA-N 2 0 346.475 1.982 20 0 EDADRP C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000153137273 533355762 /nfs/dbraw/zinc/35/57/62/533355762.db2.gz XFVIGPWZHRIUNM-OAHLLOKOSA-N 2 0 349.475 1.560 20 0 EDADRP C[C@H](C(=O)Nc1ccc(=O)n(CC[NH+](C)C)c1)[NH+]1CCCCCC1 ZINC000270082623 140043523 /nfs/dbraw/zinc/04/35/23/140043523.db2.gz IYAHBXBOXBYPAH-OAHLLOKOSA-N 2 0 334.464 1.613 20 0 EDADRP C[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000271159522 140248548 /nfs/dbraw/zinc/24/85/48/140248548.db2.gz WAXYAOZWQILZMW-DLBZAZTESA-N 2 0 345.487 1.518 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000332532472 141197583 /nfs/dbraw/zinc/19/75/83/141197583.db2.gz HPSUJAVYTIGBSV-TWMKSMIVSA-N 2 0 334.439 1.922 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)C1CCCCC1 ZINC000333486596 141325020 /nfs/dbraw/zinc/32/50/20/141325020.db2.gz CTQWEIPPRHLLNL-DLBZAZTESA-N 2 0 338.496 1.400 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)NC3CC[NH2+]CC3)CC2)C[C@H](C)O1 ZINC000333786886 141381596 /nfs/dbraw/zinc/38/15/96/141381596.db2.gz LUMIHRRVDJMQLH-GJZGRUSLSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333872544 141399016 /nfs/dbraw/zinc/39/90/16/141399016.db2.gz SDWLYWMREFJRGE-JHDROBOHSA-N 2 0 337.508 1.994 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000333873251 141399462 /nfs/dbraw/zinc/39/94/62/141399462.db2.gz SJAFUNAMPNINOZ-CIRFHOKZSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@@H](CC1CCOCC1)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345165247 143060085 /nfs/dbraw/zinc/06/00/85/143060085.db2.gz MJQGLMONYZISHE-INIZCTEOSA-N 2 0 339.524 1.829 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000345182602 143061904 /nfs/dbraw/zinc/06/19/04/143061904.db2.gz JXYDBFFAGJMAOJ-HZPDHXFCSA-N 2 0 340.512 1.010 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]([NH3+])CC(F)F)cc1 ZINC000345682030 143120876 /nfs/dbraw/zinc/12/08/76/143120876.db2.gz AHOMEPNFNWKRJJ-CQSZACIVSA-N 2 0 329.391 1.268 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000346219908 143180240 /nfs/dbraw/zinc/18/02/40/143180240.db2.gz NKVVQZPNDZUGTE-KRWDZBQOSA-N 2 0 341.459 1.730 20 0 EDADRP COc1c(O)cccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346676774 143230287 /nfs/dbraw/zinc/23/02/87/143230287.db2.gz KJQANIGPQIYNPE-HOCLYGCPSA-N 2 0 347.459 1.481 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccc3c2OCO3)C1)[C@H]1CCC[NH2+]1 ZINC000346686814 143231876 /nfs/dbraw/zinc/23/18/76/143231876.db2.gz UPGIUZUJLYRDHM-GDBMZVCRSA-N 2 0 345.443 1.496 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC[C@@H](O)C[NH+]1CCCC1 ZINC000347034253 143274305 /nfs/dbraw/zinc/27/43/05/143274305.db2.gz CMQAEXSJBLSWTQ-BHIYHBOVSA-N 2 0 332.492 1.338 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@@H]1CC[NH+](CCOC)C1 ZINC000347043101 143275631 /nfs/dbraw/zinc/27/56/31/143275631.db2.gz FAXCZJZTYYOFAY-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000347043732 143275717 /nfs/dbraw/zinc/27/57/17/143275717.db2.gz LTMXDLQRTOIRBI-LSDHHAIUSA-N 2 0 340.512 1.212 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(CCC[NH+](C)C)CC2)C1 ZINC000347148456 143287865 /nfs/dbraw/zinc/28/78/65/143287865.db2.gz BCFZNRBZXHNRJQ-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1 ZINC000347314419 143307238 /nfs/dbraw/zinc/30/72/38/143307238.db2.gz RCYZNEVNARIXJS-OAGGEKHMSA-N 2 0 342.528 1.713 20 0 EDADRP COc1cc([C@@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)ccn1 ZINC000347667078 143347299 /nfs/dbraw/zinc/34/72/99/143347299.db2.gz UIELIOGPGMYZRZ-CYBMUJFWSA-N 2 0 332.448 1.484 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1 ZINC000347983591 143387307 /nfs/dbraw/zinc/38/73/07/143387307.db2.gz BRSJBOVCRMQQBN-OAGGEKHMSA-N 2 0 325.497 1.865 20 0 EDADRP CO[C@@H]1CC[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000350561655 143543668 /nfs/dbraw/zinc/54/36/68/143543668.db2.gz YEFZFYTVVXHKDS-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416842963 304350914 /nfs/dbraw/zinc/35/09/14/304350914.db2.gz OAGUCLWEAIFCMV-PKOBYXMFSA-N 2 0 330.476 1.554 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000416843584 304350917 /nfs/dbraw/zinc/35/09/17/304350917.db2.gz PEFBCZMQJXMZCV-CRAIPNDOSA-N 2 0 332.492 1.928 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)[C@H](C)C1 ZINC000458412821 286058632 /nfs/dbraw/zinc/05/86/32/286058632.db2.gz OPBZJCQEQGJQQH-HZPDHXFCSA-N 2 0 342.528 1.763 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000416867486 304353113 /nfs/dbraw/zinc/35/31/13/304353113.db2.gz LIWQMJZGDGEOHH-XHSDSOJGSA-N 2 0 326.485 1.160 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1cn2ccc(Br)cc2n1 ZINC000352906401 149212140 /nfs/dbraw/zinc/21/21/40/149212140.db2.gz VTRHTXSAZHICRQ-UHFFFAOYSA-N 2 0 341.253 1.765 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000353084731 149280249 /nfs/dbraw/zinc/28/02/49/149280249.db2.gz HBRDXRYDELVREP-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CN(C)c1cc[nH+]cc1CNC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000353174712 149312913 /nfs/dbraw/zinc/31/29/13/149312913.db2.gz FGMDDWPBSBKQNV-FQEVSTJZSA-N 2 0 340.471 1.874 20 0 EDADRP O=C(c1ccccc1CC1CC[NH2+]CC1)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353394426 149390437 /nfs/dbraw/zinc/39/04/37/149390437.db2.gz CTWSOYMHSIADCD-ZWKOTPCHSA-N 2 0 327.472 1.910 20 0 EDADRP CCN1CCO[C@H](C(=O)NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)C1 ZINC000369928332 155238789 /nfs/dbraw/zinc/23/87/89/155238789.db2.gz QDDAJTBPPMQEIL-YCPHGPKFSA-N 2 0 337.489 1.578 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)CC[NH3+])cc2)C[C@@H](C)O1 ZINC000416974080 304358773 /nfs/dbraw/zinc/35/87/73/304358773.db2.gz WDVAPRJDSDCLJN-HUUCEWRRSA-N 2 0 334.464 1.396 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000416975739 304359436 /nfs/dbraw/zinc/35/94/36/304359436.db2.gz ZVUWVCMZKKKDMR-SJPCQFCGSA-N 2 0 346.475 1.709 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000416977108 304359586 /nfs/dbraw/zinc/35/95/86/304359586.db2.gz SFYVCPUPPNZJKG-NVXWUHKLSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[C@H]2CC[NH2+]C2)c1 ZINC000416977167 304359881 /nfs/dbraw/zinc/35/98/81/304359881.db2.gz SRNJSNXURXUSIA-OAHLLOKOSA-N 2 0 334.464 1.426 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355267487 150191848 /nfs/dbraw/zinc/19/18/48/150191848.db2.gz DISGRMZXPKREQB-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H]2C(C)(C)C)C1 ZINC000355346850 150226187 /nfs/dbraw/zinc/22/61/87/150226187.db2.gz UIRFGLCLUTWXCV-SJORKVTESA-N 2 0 339.524 1.970 20 0 EDADRP COc1cc(F)c(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)cc1OC ZINC000573690749 306630126 /nfs/dbraw/zinc/63/01/26/306630126.db2.gz XKHIMWGHQITIGN-AWEZNQCLSA-N 2 0 339.455 1.959 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C)C[NH2+]1 ZINC000417038062 304364281 /nfs/dbraw/zinc/36/42/81/304364281.db2.gz UJOKFCUYJFSDHH-HZPDHXFCSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000417040334 304364822 /nfs/dbraw/zinc/36/48/22/304364822.db2.gz KOQOWFFBSVDTSA-IYBDPMFKSA-N 2 0 338.496 1.128 20 0 EDADRP CCCC[N@H+](C)CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000357580859 151074086 /nfs/dbraw/zinc/07/40/86/151074086.db2.gz UHZDEINNSOECKM-UHFFFAOYSA-N 2 0 327.494 1.758 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000357791155 151152872 /nfs/dbraw/zinc/15/28/72/151152872.db2.gz GGSAKHSPOCNYPT-IAGOWNOFSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC000358125600 151280268 /nfs/dbraw/zinc/28/02/68/151280268.db2.gz AATOELIHFSAUSW-CVEARBPZSA-N 2 0 340.512 1.610 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000358260690 151320197 /nfs/dbraw/zinc/32/01/97/151320197.db2.gz VPYUMNZJXFBLNY-IBGZPJMESA-N 2 0 335.467 1.489 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@@H]1C ZINC000358267873 151321454 /nfs/dbraw/zinc/32/14/54/151321454.db2.gz SGUJNLIDENQYRG-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000358288486 151328090 /nfs/dbraw/zinc/32/80/90/151328090.db2.gz FFXUHSFJADWDRG-IAGOWNOFSA-N 2 0 339.528 1.186 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000358309521 151332558 /nfs/dbraw/zinc/33/25/58/151332558.db2.gz LNNUVYBSXNWYIG-GJZGRUSLSA-N 2 0 332.448 1.612 20 0 EDADRP C[C@@H](C(=O)NC(=O)Nc1ccccc1F)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358501538 151397409 /nfs/dbraw/zinc/39/74/09/151397409.db2.gz AGUFFYDFCZHKNU-ZDUSSCGKSA-N 2 0 348.422 1.938 20 0 EDADRP CC(=O)Nc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358506451 151398894 /nfs/dbraw/zinc/39/88/94/151398894.db2.gz KEKYHVABVHSZMX-UHFFFAOYSA-N 2 0 330.432 1.659 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000359467251 151725002 /nfs/dbraw/zinc/72/50/02/151725002.db2.gz PTSRDMXYXBDSEP-UHFFFAOYSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCc2ccc(-n3ccnc3)nc2)C1 ZINC000370128055 155339284 /nfs/dbraw/zinc/33/92/84/155339284.db2.gz CSSFCGKNGJTLHZ-CVEARBPZSA-N 2 0 342.447 1.939 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000360782326 152202808 /nfs/dbraw/zinc/20/28/08/152202808.db2.gz CJRAVVWDUIIBRO-QGZVFWFLSA-N 2 0 341.544 1.386 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCNS(=O)(=O)CC ZINC000360958044 152263073 /nfs/dbraw/zinc/26/30/73/152263073.db2.gz OCWSCMSJUOVQEP-CVEARBPZSA-N 2 0 333.542 1.806 20 0 EDADRP C[C@H](C[NH2+]C1CCN(Cc2ccccn2)CC1)N1CC[NH+](C)CC1 ZINC000361183911 152328494 /nfs/dbraw/zinc/32/84/94/152328494.db2.gz GLUUOBGQLPFEJR-QGZVFWFLSA-N 2 0 331.508 1.272 20 0 EDADRP COC[C@H]([NH2+]Cc1c(C)nn(C)c1N1CCC[N@H+](C)CC1)C(C)C ZINC000361240337 152342733 /nfs/dbraw/zinc/34/27/33/152342733.db2.gz IWYUUUNTLDMWTQ-KRWDZBQOSA-N 2 0 337.512 1.631 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000361250398 152345342 /nfs/dbraw/zinc/34/53/42/152345342.db2.gz JBNVDWWJKYZORV-OCCSQVGLSA-N 2 0 331.420 1.737 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000361351277 152368592 /nfs/dbraw/zinc/36/85/92/152368592.db2.gz KWWMOKLQTGDKRM-FQEVSTJZSA-N 2 0 346.519 1.873 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH3+])CCc1ccccc1)C[NH+]1CCCC1 ZINC000417163390 304379763 /nfs/dbraw/zinc/37/97/63/304379763.db2.gz SIAASFNHDLOORG-KRWDZBQOSA-N 2 0 332.492 1.931 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000417166861 304380122 /nfs/dbraw/zinc/38/01/22/304380122.db2.gz YKCKCOQDPHVATI-DLBZAZTESA-N 2 0 334.508 1.892 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000417175697 304380278 /nfs/dbraw/zinc/38/02/78/304380278.db2.gz JUKJYNOCYKISNP-IAGOWNOFSA-N 2 0 332.448 1.111 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2CCC[NH+](CC(C)(C)O)CC2)C1 ZINC000363731178 153041458 /nfs/dbraw/zinc/04/14/58/153041458.db2.gz CYVSEIOSIATXCX-CVEARBPZSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000417186094 304382086 /nfs/dbraw/zinc/38/20/86/304382086.db2.gz WGHNAOMAQLSWTC-IRXDYDNUSA-N 2 0 334.439 1.964 20 0 EDADRP [NH3+]CC1(CC(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)CCCCC1 ZINC000364115567 153149061 /nfs/dbraw/zinc/14/90/61/153149061.db2.gz ZJBXPSFZLZKRHO-IAGOWNOFSA-N 2 0 337.508 1.903 20 0 EDADRP CC1CCC([NH+]2CCC(NC(=O)c3[nH]nc4c3C[NH2+]CC4)CC2)CC1 ZINC000364223596 153180311 /nfs/dbraw/zinc/18/03/11/153180311.db2.gz WLOWYDANVSNCMM-UHFFFAOYSA-N 2 0 345.491 1.828 20 0 EDADRP O[C@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@H](O)C3(CC3)C2)CC12CC2 ZINC000364441408 153238763 /nfs/dbraw/zinc/23/87/63/153238763.db2.gz DXZQISCSQYHKIH-ROUUACIJSA-N 2 0 328.456 1.600 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)C1 ZINC000417198696 304383739 /nfs/dbraw/zinc/38/37/39/304383739.db2.gz RQLIYHLFQXZSKL-ZWKOTPCHSA-N 2 0 332.492 1.800 20 0 EDADRP CCCCOC[C@H](O)C[NH+]1CCN(C2CC[NH+](CCC)CC2)CC1 ZINC000365002803 153395888 /nfs/dbraw/zinc/39/58/88/153395888.db2.gz VPVRYJYIWPSGLU-LJQANCHMSA-N 2 0 341.540 1.656 20 0 EDADRP [NH3+][C@@H](C(=O)NC1CC[NH+](Cc2ccsc2)CC1)C1CCOCC1 ZINC000367184189 154033376 /nfs/dbraw/zinc/03/33/76/154033376.db2.gz FQUXDUXNHMRZOA-MRXNPFEDSA-N 2 0 337.489 1.583 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000367548789 154171488 /nfs/dbraw/zinc/17/14/88/154171488.db2.gz FXQMXKAUZQTEPT-QEJZJMRPSA-N 2 0 325.840 1.423 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(CCC[NH3+])CC2CCCC2)CC1 ZINC000417300073 304391049 /nfs/dbraw/zinc/39/10/49/304391049.db2.gz SVFDJSZUUSPCTI-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP Cc1ncc2n1CC[C@@H](C(=O)N1CCN(c3ccnc(C)n3)CC1)C2 ZINC000367955350 154342898 /nfs/dbraw/zinc/34/28/98/154342898.db2.gz IBTWZLLUXIVBNN-OAHLLOKOSA-N 2 0 340.431 1.201 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417373432 304395189 /nfs/dbraw/zinc/39/51/89/304395189.db2.gz YBBXEFZNTUUJSV-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)C ZINC000369447704 155039386 /nfs/dbraw/zinc/03/93/86/155039386.db2.gz KZZATYYADDUJIZ-PMPSAXMXSA-N 2 0 340.512 1.515 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000369561893 155087586 /nfs/dbraw/zinc/08/75/86/155087586.db2.gz QCBLATYAFJEEBK-USXIJHARSA-N 2 0 331.464 1.506 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000417447062 304396726 /nfs/dbraw/zinc/39/67/26/304396726.db2.gz OEYZYIBFJHGJAC-KRWDZBQOSA-N 2 0 336.480 1.687 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000371607203 156027544 /nfs/dbraw/zinc/02/75/44/156027544.db2.gz ZUGFXOAWMLZRTA-NPYXIHBLSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000373904515 157057077 /nfs/dbraw/zinc/05/70/77/157057077.db2.gz IDZFXPOPGKUJFS-INIZCTEOSA-N 2 0 348.535 1.488 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CCN1C1CC[NH+](C)CC1 ZINC000373904516 157059133 /nfs/dbraw/zinc/05/91/33/157059133.db2.gz IDZFXPOPGKUJFS-MRXNPFEDSA-N 2 0 348.535 1.488 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)ccn1 ZINC000374743857 157384344 /nfs/dbraw/zinc/38/43/44/157384344.db2.gz PAWJUCHALFJLPM-INIZCTEOSA-N 2 0 346.475 1.769 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000376065671 157723077 /nfs/dbraw/zinc/72/30/77/157723077.db2.gz GBAUMJWTJQLDSH-INIZCTEOSA-N 2 0 333.480 1.752 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000377996746 158051831 /nfs/dbraw/zinc/05/18/31/158051831.db2.gz JUTVDKLLRVDZQP-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H](c2nccn2C)C1 ZINC000378265009 158123410 /nfs/dbraw/zinc/12/34/10/158123410.db2.gz SVYRNYHJHQVMKX-GDBMZVCRSA-N 2 0 334.464 1.529 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000417932072 304433474 /nfs/dbraw/zinc/43/34/74/304433474.db2.gz MAKIYCSQOWYXDD-LSDHHAIUSA-N 2 0 333.480 1.762 20 0 EDADRP C[C@H]1CCN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)[C@H](C[NH3+])C1 ZINC000417952002 304437550 /nfs/dbraw/zinc/43/75/50/304437550.db2.gz NVIWQUXDENOEIJ-HOCLYGCPSA-N 2 0 349.479 1.291 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](CCO)CC1CC1 ZINC000352481959 162206024 /nfs/dbraw/zinc/20/60/24/162206024.db2.gz FSBVCPKUKUMFBH-QFBILLFUSA-N 2 0 345.487 1.470 20 0 EDADRP CC(C)([NH3+])CC(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000372105097 162462604 /nfs/dbraw/zinc/46/26/04/162462604.db2.gz GPJAHYXPDMMAQH-QGZVFWFLSA-N 2 0 333.476 1.676 20 0 EDADRP C[C@@H](NC(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1=CC[N@H+](C)CC1 ZINC000376877058 287005445 /nfs/dbraw/zinc/00/54/45/287005445.db2.gz PEDLIMBJENTOPI-MRXNPFEDSA-N 2 0 345.491 1.749 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000418025310 304448042 /nfs/dbraw/zinc/44/80/42/304448042.db2.gz UXQLIMGVSNFRII-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000344059343 287142977 /nfs/dbraw/zinc/14/29/77/287142977.db2.gz LQKARUIAHJHECO-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@H]2CCC[C@H](C)C2)C1 ZINC000073619691 287262307 /nfs/dbraw/zinc/26/23/07/287262307.db2.gz FVGUKVPVYYAWJD-OKZBNKHCSA-N 2 0 339.524 1.970 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000417006099 292561898 /nfs/dbraw/zinc/56/18/98/292561898.db2.gz JLKPHZQHAPRJNM-INIZCTEOSA-N 2 0 328.501 1.278 20 0 EDADRP C[C@@H](Cc1ccc(O)cc1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000077787637 287290431 /nfs/dbraw/zinc/29/04/31/287290431.db2.gz BQGAQSZSBNUWSG-HNNXBMFYSA-N 2 0 336.480 1.458 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095042 287311395 /nfs/dbraw/zinc/31/13/95/287311395.db2.gz OMNHYFKPHUNCSV-SJLPKXTDSA-N 2 0 338.540 1.638 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C1=Cc2cc(F)ccc2OC1 ZINC000090552990 287331077 /nfs/dbraw/zinc/33/10/77/287331077.db2.gz MQUKJHWJZBFNTJ-UHFFFAOYSA-N 2 0 335.423 1.553 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)NCCCN1CC[NH2+]CC1)C(C)C ZINC000418302608 304477596 /nfs/dbraw/zinc/47/75/96/304477596.db2.gz SZBBRRSURBOFEW-UHFFFAOYSA-N 2 0 327.517 1.042 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000159210935 225171549 /nfs/dbraw/zinc/17/15/49/225171549.db2.gz JRMFLBRUQBAEKW-QGZVFWFLSA-N 2 0 340.475 1.734 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418329637 304481192 /nfs/dbraw/zinc/48/11/92/304481192.db2.gz OUXHLUWRNURHHO-MSOLQXFVSA-N 2 0 345.491 1.592 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418333816 304481861 /nfs/dbraw/zinc/48/18/61/304481861.db2.gz VPMAVHXNQSKDEK-IXDOHACOSA-N 2 0 331.464 1.249 20 0 EDADRP C[NH+]1CCC[C@H](CNc2cc(NC[C@@H]3CCC[N@@H+](C)C3)ncn2)C1 ZINC000124229478 222394917 /nfs/dbraw/zinc/39/49/17/222394917.db2.gz DHYKVWMQPSTDOD-IYBDPMFKSA-N 2 0 332.496 1.984 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CC[NH+]1CCCCC1 ZINC000665764083 452349688 /nfs/dbraw/zinc/34/96/88/452349688.db2.gz UCZLREZYYCYWPU-KRWDZBQOSA-N 2 0 341.544 1.386 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418456195 304497497 /nfs/dbraw/zinc/49/74/97/304497497.db2.gz HNTVARYAEZNFRM-GOEBONIOSA-N 2 0 326.485 1.256 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418477852 304500116 /nfs/dbraw/zinc/50/01/16/304500116.db2.gz YPNAKMUBUXYSLN-HNNXBMFYSA-N 2 0 328.501 1.646 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418488311 304502124 /nfs/dbraw/zinc/50/21/24/304502124.db2.gz KRRNRDVOMCCBOW-JXXVNRNDSA-N 2 0 342.487 1.947 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000275402134 268337564 /nfs/dbraw/zinc/33/75/64/268337564.db2.gz IYLFPXJRXIGYTN-INIZCTEOSA-N 2 0 344.459 1.036 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277195925 268526780 /nfs/dbraw/zinc/52/67/80/268526780.db2.gz MECWTRUQEXGKGG-OALUTQOASA-N 2 0 346.519 1.822 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000279169737 268791655 /nfs/dbraw/zinc/79/16/55/268791655.db2.gz QPLMZSHULLQLSY-UHFFFAOYSA-N 2 0 327.476 1.988 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189598 273076094 /nfs/dbraw/zinc/07/60/94/273076094.db2.gz HRSAZMJEDMPDHW-AEFFLSMTSA-N 2 0 330.476 1.854 20 0 EDADRP C[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)N1CC[NH+](C)CC1 ZINC000280922808 273415450 /nfs/dbraw/zinc/41/54/50/273415450.db2.gz PSSATIVIMAIZLP-OAHLLOKOSA-N 2 0 331.439 1.737 20 0 EDADRP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000284177771 274106697 /nfs/dbraw/zinc/10/66/97/274106697.db2.gz QUYZUQUXZDXHQP-SFHVURJKSA-N 2 0 342.491 1.844 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000284591426 274255931 /nfs/dbraw/zinc/25/59/31/274255931.db2.gz MDXKKLSRARROKU-BHIYHBOVSA-N 2 0 345.487 1.544 20 0 EDADRP CC1(C)CO[C@H](c2ccccc2)C[N@@H+]1CCC(=O)N1CC[NH2+]CC1 ZINC000262150714 276140251 /nfs/dbraw/zinc/14/02/51/276140251.db2.gz PFHPHJCXYVDDPZ-KRWDZBQOSA-N 2 0 331.460 1.660 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H]2CC[NH2+]C2)CC1 ZINC000236983685 276202892 /nfs/dbraw/zinc/20/28/92/276202892.db2.gz YHUOPSKKMIGSFU-GJZGRUSLSA-N 2 0 348.466 1.754 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)(N2CCOCC2)C1 ZINC000193404568 276309891 /nfs/dbraw/zinc/30/98/91/276309891.db2.gz MMKYNIWGNKBZOP-JOGYUHMRSA-N 2 0 339.524 1.575 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637689 276361011 /nfs/dbraw/zinc/36/10/11/276361011.db2.gz UOOYDPUVZWKGNQ-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@@H]2C1 ZINC000355332274 276396497 /nfs/dbraw/zinc/39/64/97/276396497.db2.gz BBSVLSLJHDMVPI-QRQLOZEOSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)(CNC(=O)N[C@@H](C[NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417085888 277301059 /nfs/dbraw/zinc/30/10/59/277301059.db2.gz DGLSVFAYPFKRBH-KRWDZBQOSA-N 2 0 330.476 1.860 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000355255126 277388305 /nfs/dbraw/zinc/38/83/05/277388305.db2.gz PDIYMXWGSHZPAK-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[C@@H](C(=O)NCCN1CCC([NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000360888290 277721145 /nfs/dbraw/zinc/72/11/45/277721145.db2.gz ZNBBVOOLHJUAND-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000424045068 278351080 /nfs/dbraw/zinc/35/10/80/278351080.db2.gz STYMWPMLZFXEFO-ROUUACIJSA-N 2 0 349.519 1.866 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333136296 279104588 /nfs/dbraw/zinc/10/45/88/279104588.db2.gz CJNKSVJOLPCYIE-ABFRBSLYSA-N 2 0 338.496 1.146 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000361719755 279110073 /nfs/dbraw/zinc/11/00/73/279110073.db2.gz VGHDSPFWDPVZIX-RTBURBONSA-N 2 0 345.487 1.660 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363367103 279127538 /nfs/dbraw/zinc/12/75/38/279127538.db2.gz BQTNRKJUPPPFCJ-PMPSAXMXSA-N 2 0 326.485 1.125 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCC[NH+](C)[C@@H]3C)CC2)CCO1 ZINC000345780982 288133916 /nfs/dbraw/zinc/13/39/16/288133916.db2.gz MZTAUSOYJBMXHG-BFYDXBDKSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)C[C@@H](C)O1 ZINC000345704241 288156909 /nfs/dbraw/zinc/15/69/09/288156909.db2.gz FQKIUWFOWNVIPR-NFAWXSAZSA-N 2 0 347.450 1.707 20 0 EDADRP CC[C@@H](O)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000305700033 280201758 /nfs/dbraw/zinc/20/17/58/280201758.db2.gz CTJDOWSAIYQBSI-QGZVFWFLSA-N 2 0 325.497 1.462 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCCC1 ZINC000358831135 280246917 /nfs/dbraw/zinc/24/69/17/280246917.db2.gz PSBWPUONKSTFKZ-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000354863216 289106781 /nfs/dbraw/zinc/10/67/81/289106781.db2.gz SNOSLDGTAISLLQ-LJQANCHMSA-N 3 0 346.519 1.679 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000418756056 289188961 /nfs/dbraw/zinc/18/89/61/289188961.db2.gz CLGHPEHXHVREHE-LSDHHAIUSA-N 2 0 340.855 1.230 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000291853955 289197849 /nfs/dbraw/zinc/19/78/49/289197849.db2.gz OIUVDXMQWCDPMU-INIZCTEOSA-N 2 0 349.479 1.258 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000418756053 289207870 /nfs/dbraw/zinc/20/78/70/289207870.db2.gz CLGHPEHXHVREHE-GJZGRUSLSA-N 2 0 340.855 1.230 20 0 EDADRP COCC[C@]1(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC[NH2+]C1 ZINC000361711981 292726369 /nfs/dbraw/zinc/72/63/69/292726369.db2.gz XMHDDBDNYMCOEV-NXHRZFHOSA-N 2 0 325.497 1.629 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C(N)=O)[C@@H](C)c2ccccc2)CC1 ZINC000292110772 289263294 /nfs/dbraw/zinc/26/32/94/289263294.db2.gz HDLZECIYEDDEOF-HKUYNNGSSA-N 2 0 346.519 1.650 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2cc(C3CC3)nc(N3CC[C@H]([NH+](C)C)C3)n2)C1 ZINC000342066230 289316865 /nfs/dbraw/zinc/31/68/65/289316865.db2.gz STNYNIZZULKTOW-CVEARBPZSA-N 2 0 344.507 1.635 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCNC(=O)C(F)(F)F ZINC000378439060 289333973 /nfs/dbraw/zinc/33/39/73/289333973.db2.gz ZPKVKFKCLBLLOP-AGIUHOORSA-N 2 0 337.386 1.239 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)NC(N)=O ZINC000368234231 290013419 /nfs/dbraw/zinc/01/34/19/290013419.db2.gz JVCWHEQOOMVGNS-QMCVQRASSA-N 2 0 344.459 1.460 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccc(OC)cc1 ZINC000367713748 293117855 /nfs/dbraw/zinc/11/78/55/293117855.db2.gz VLKVUVRFVNGQLB-HYVNUMGLSA-N 2 0 335.448 1.168 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@@H](C)O1 ZINC000370595921 296993007 /nfs/dbraw/zinc/99/30/07/296993007.db2.gz AUWASVYPQLOVEN-IAGOWNOFSA-N 2 0 349.519 1.963 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000348002958 293939131 /nfs/dbraw/zinc/93/91/31/293939131.db2.gz KRCCTVNBJYYMPM-KZNAEPCWSA-N 2 0 335.492 1.573 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H](C)[C@H]([NH3+])C2)cc1 ZINC000333716563 295224759 /nfs/dbraw/zinc/22/47/59/295224759.db2.gz TXBPMCCZIVNEBE-SJWGOKEGSA-N 2 0 332.448 1.129 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)C[C@@H]21 ZINC000333667170 295308448 /nfs/dbraw/zinc/30/84/48/295308448.db2.gz MLUPQFXNUHMVLS-DISONHOPSA-N 2 0 328.460 1.511 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H](C)[C@@H]([NH+](C)C)C2)CC[NH+](C)CC1 ZINC000360694196 295577556 /nfs/dbraw/zinc/57/75/56/295577556.db2.gz MAARIYCMEBCIII-KGLIPLIRSA-N 2 0 328.526 1.405 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000419129393 304567993 /nfs/dbraw/zinc/56/79/93/304567993.db2.gz BAEYUKHBTYDBPZ-XKQJLSEDSA-N 2 0 346.475 1.312 20 0 EDADRP C[C@H](CNC(=O)CC1([NH+]2CCOCC2)CCCC1)C[NH+]1CCCC1 ZINC000364217306 298685497 /nfs/dbraw/zinc/68/54/97/298685497.db2.gz LORRMADZLLCAAV-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418687718 300219435 /nfs/dbraw/zinc/21/94/35/300219435.db2.gz RYSKHTBACFFKAR-DZJNRPSUSA-N 2 0 330.476 1.724 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000356731039 300243070 /nfs/dbraw/zinc/24/30/70/300243070.db2.gz SVMJSWKOCDUDEO-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000333376309 300722151 /nfs/dbraw/zinc/72/21/51/300722151.db2.gz NBORVDGUPXAEES-ZIFCJYIRSA-N 2 0 331.460 1.605 20 0 EDADRP Cc1cccc2nc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc(=O)n12 ZINC000344059680 302070114 /nfs/dbraw/zinc/07/01/14/302070114.db2.gz LRCNROXAANLQDE-UHFFFAOYSA-N 2 0 345.491 1.318 20 0 EDADRP C[C@H](C[NH3+])N(C)C(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000419652344 447321305 /nfs/dbraw/zinc/32/13/05/447321305.db2.gz PQDHIOGULJCHGZ-ZIAGYGMSSA-N 2 0 334.464 1.038 20 0 EDADRP O=C1COc2ccc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc2N1 ZINC000293733074 303011225 /nfs/dbraw/zinc/01/12/25/303011225.db2.gz WMSJZYPZVXHNBU-OAHLLOKOSA-N 2 0 333.432 1.344 20 0 EDADRP COC(=O)Cn1cc(CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)nn1 ZINC000294732985 303140556 /nfs/dbraw/zinc/14/05/56/303140556.db2.gz GWOJEVUTYSDLOV-CQSZACIVSA-N 2 0 344.419 1.089 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CC[C@H]4[NH2+]CC[C@H]4C3)ccc21 ZINC000294978335 303159073 /nfs/dbraw/zinc/15/90/73/303159073.db2.gz JOZHLPYXHCWHOJ-DLBZAZTESA-N 2 0 326.444 1.814 20 0 EDADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000295109307 303174298 /nfs/dbraw/zinc/17/42/98/303174298.db2.gz LLSVNZQYQCIQSP-JKSUJKDBSA-N 2 0 349.475 1.849 20 0 EDADRP CCOC(=O)c1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)[nH]c1C ZINC000295575995 303236862 /nfs/dbraw/zinc/23/68/62/303236862.db2.gz AZRWSZYHUFYPKG-UHFFFAOYSA-N 2 0 336.480 1.569 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CCC1 ZINC000418531872 303359055 /nfs/dbraw/zinc/35/90/55/303359055.db2.gz XWFNBINBQWNYGT-DOMZBBRYSA-N 2 0 338.402 1.591 20 0 EDADRP CN(C(=O)NCCN1CCC([NH+](C)C)CC1)[C@@H](CO)c1ccccc1 ZINC000297194519 303371035 /nfs/dbraw/zinc/37/10/35/303371035.db2.gz GDNUYENFPJDBOD-SFHVURJKSA-N 2 0 348.491 1.387 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000297232882 303376369 /nfs/dbraw/zinc/37/63/69/303376369.db2.gz NICUULWAAKMOTN-CRAIPNDOSA-N 2 0 348.491 1.045 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000340639549 303381049 /nfs/dbraw/zinc/38/10/49/303381049.db2.gz NPQBHXQOPVADGK-UHFFFAOYSA-N 3 0 332.492 1.220 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCc2ccc3c[nH+]cn3c2)CC1 ZINC000297844635 303454772 /nfs/dbraw/zinc/45/47/72/303454772.db2.gz ZDGOWCOQCRDCRD-UHFFFAOYSA-N 2 0 345.447 1.634 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000417703248 303765521 /nfs/dbraw/zinc/76/55/21/303765521.db2.gz JWDBPEYEVXNKIT-AWEZNQCLSA-N 2 0 332.439 1.939 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390953200 303850455 /nfs/dbraw/zinc/85/04/55/303850455.db2.gz SZXQAXOEQCSHND-GOSISDBHSA-N 2 0 332.492 1.151 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCCC2)cc1 ZINC000414888862 447344523 /nfs/dbraw/zinc/34/45/23/447344523.db2.gz YFMHISGTGJVLDI-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@@H](CC[NH3+])[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414892075 447346366 /nfs/dbraw/zinc/34/63/66/447346366.db2.gz IXLYNOLKSULMEH-AWEZNQCLSA-N 2 0 341.883 1.878 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422744096 304879659 /nfs/dbraw/zinc/87/96/59/304879659.db2.gz SGSCZMCJKKIXNX-ZYSHUDEJSA-N 3 0 335.492 1.511 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cccnc2OC)CC[NH2+]CC1 ZINC000423144607 304888345 /nfs/dbraw/zinc/88/83/45/304888345.db2.gz ZEFXOWSMUANENJ-AWEZNQCLSA-N 2 0 335.448 1.544 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423273059 304890854 /nfs/dbraw/zinc/89/08/54/304890854.db2.gz KGGQDSPGHISZFW-GZBFAFLISA-N 2 0 325.478 1.729 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423581952 304899964 /nfs/dbraw/zinc/89/99/64/304899964.db2.gz ZQSWBHGSKHMNEJ-SFHVURJKSA-N 2 0 342.491 1.640 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]([NH3+])CC(F)F ZINC000423743224 304907350 /nfs/dbraw/zinc/90/73/50/304907350.db2.gz JTLKDSCKPHYONK-CYBMUJFWSA-N 2 0 335.345 1.838 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000423756320 304908930 /nfs/dbraw/zinc/90/89/30/304908930.db2.gz JLTSUDVGOSGGNY-KRWDZBQOSA-N 2 0 347.459 1.120 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)C[C@H]1c1cccc(F)c1 ZINC000424006439 304924556 /nfs/dbraw/zinc/92/45/56/304924556.db2.gz DPEZBGXXHIXMKV-SJJHQCBESA-N 2 0 335.423 1.365 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424016977 304925438 /nfs/dbraw/zinc/92/54/38/304925438.db2.gz DXIRROJZENSVOW-UHFFFAOYSA-N 3 0 344.503 1.438 20 0 EDADRP CC(C)OC1CC([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000428095659 305007163 /nfs/dbraw/zinc/00/71/63/305007163.db2.gz YNPCVHFCYFTMCP-ACBHZAAOSA-N 2 0 347.503 1.821 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCC[NH+]1C ZINC000428952552 305020863 /nfs/dbraw/zinc/02/08/63/305020863.db2.gz MTYOTYOGIKHLTN-HKUYNNGSSA-N 2 0 331.460 1.176 20 0 EDADRP Cc1c(NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)cnn1C ZINC000429984946 305042036 /nfs/dbraw/zinc/04/20/36/305042036.db2.gz IONJJCQXBJVNOL-INIZCTEOSA-N 2 0 338.415 1.482 20 0 EDADRP CCC(CC)(C[NH2+]C1CCN(CCN2CCOCC2)CC1)OC ZINC000430112806 305045811 /nfs/dbraw/zinc/04/58/11/305045811.db2.gz FMPNXHCPPKMOBO-UHFFFAOYSA-N 2 0 327.513 1.578 20 0 EDADRP COc1c(C)cnc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)c1C ZINC000430609195 305058669 /nfs/dbraw/zinc/05/86/69/305058669.db2.gz HIBLVBFDFLWBAX-MRXNPFEDSA-N 2 0 346.475 1.351 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1Cl ZINC000430623341 305059906 /nfs/dbraw/zinc/05/99/06/305059906.db2.gz MUKYRFLBYSHSRS-NSHDSACASA-N 2 0 338.839 1.438 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](c3ccccc3)C2)C1=O ZINC000431158954 305076140 /nfs/dbraw/zinc/07/61/40/305076140.db2.gz FAYPWMABODDFIS-DLBZAZTESA-N 2 0 329.444 1.555 20 0 EDADRP COc1cc(CN(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1O ZINC000433133403 305101369 /nfs/dbraw/zinc/10/13/69/305101369.db2.gz OIZPFGRAQYOJHY-UHFFFAOYSA-N 2 0 335.448 1.563 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000433159896 305102230 /nfs/dbraw/zinc/10/22/30/305102230.db2.gz NIGSXLDTLBHUPE-OAHLLOKOSA-N 2 0 333.432 1.146 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433458963 305109872 /nfs/dbraw/zinc/10/98/72/305109872.db2.gz VUKOPPGIDWRAKV-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000433870542 305114255 /nfs/dbraw/zinc/11/42/55/305114255.db2.gz RCEZBTCEOOECQZ-RHSMWYFYSA-N 2 0 339.505 1.755 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC1 ZINC000434671688 305127059 /nfs/dbraw/zinc/12/70/59/305127059.db2.gz VNYVBAGTRFGXFS-IBGZPJMESA-N 2 0 340.471 1.593 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000434684224 305127690 /nfs/dbraw/zinc/12/76/90/305127690.db2.gz KLZKSYJAESZPIQ-CQSZACIVSA-N 2 0 346.475 1.492 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000435241490 305137816 /nfs/dbraw/zinc/13/78/16/305137816.db2.gz VBDQMWTUJJDQBR-LJQANCHMSA-N 2 0 342.487 1.795 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000435385841 305139505 /nfs/dbraw/zinc/13/95/05/305139505.db2.gz RSRZCTNXTOLKRO-GOSISDBHSA-N 2 0 332.492 1.378 20 0 EDADRP C[NH2+]CCCN1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000435886055 305148958 /nfs/dbraw/zinc/14/89/58/305148958.db2.gz RRVSPDCZEJJCER-SFHVURJKSA-N 2 0 331.508 1.525 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)NCC[NH+]1CCCOCC1 ZINC000436516472 305159323 /nfs/dbraw/zinc/15/93/23/305159323.db2.gz YWLJVFLPEKQHSG-INIZCTEOSA-N 2 0 326.485 1.272 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000436514545 305159392 /nfs/dbraw/zinc/15/93/92/305159392.db2.gz RFGFUNILFSVMDW-UHFFFAOYSA-N 2 0 326.485 1.226 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000436515041 305159404 /nfs/dbraw/zinc/15/94/04/305159404.db2.gz SZXCGSCJMUAMTH-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000440512374 305208958 /nfs/dbraw/zinc/20/89/58/305208958.db2.gz KHYDQROXMRIBRV-QUCCMNQESA-N 2 0 345.487 1.614 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCOC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000441281447 305220087 /nfs/dbraw/zinc/22/00/87/305220087.db2.gz FIXQGPGPMUWDDV-HZPDHXFCSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC(C(C)C)CC2)C1 ZINC000441460191 305222402 /nfs/dbraw/zinc/22/24/02/305222402.db2.gz YDWVKPVCMYYCRD-GOSISDBHSA-N 2 0 339.524 1.827 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285066 305228125 /nfs/dbraw/zinc/22/81/25/305228125.db2.gz PIAVFSSREMAUPD-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1)S(C)(=O)=O ZINC000450712399 305331301 /nfs/dbraw/zinc/33/13/01/305331301.db2.gz STMYWVXOKWBPJI-OAHLLOKOSA-N 2 0 332.510 1.244 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349415 305391322 /nfs/dbraw/zinc/39/13/22/305391322.db2.gz MRFBDBHYNQWRLP-RBUKOAKNSA-N 2 0 345.487 1.614 20 0 EDADRP O=C1CC[C@H]([NH2+]Cc2cc(C3CC[NH2+]CC3)no2)[C@@H]([C@@H]2CCCO2)N1 ZINC000425896971 447353280 /nfs/dbraw/zinc/35/32/80/447353280.db2.gz RSVTXSJLPMCHBG-ZVZYQTTQSA-N 2 0 348.447 1.057 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000495075403 305635214 /nfs/dbraw/zinc/63/52/14/305635214.db2.gz QSRZTYPATHRDAQ-KRWDZBQOSA-N 2 0 345.491 1.241 20 0 EDADRP COc1ccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cc1O ZINC000515001426 305711989 /nfs/dbraw/zinc/71/19/89/305711989.db2.gz WGITXOFVGQOTPS-UHFFFAOYSA-N 2 0 349.475 1.287 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000377784309 447355858 /nfs/dbraw/zinc/35/58/58/447355858.db2.gz SENSYMFZVBPZDM-ZWKOTPCHSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000516920959 305743991 /nfs/dbraw/zinc/74/39/91/305743991.db2.gz GNGJXLYAOMKWSN-QSPRXWTASA-N 2 0 333.480 1.386 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422120987 447359109 /nfs/dbraw/zinc/35/91/09/447359109.db2.gz QQQHYRSHJITONL-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000529333607 305909922 /nfs/dbraw/zinc/90/99/22/305909922.db2.gz QSAKNTMTFDACML-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP O=c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)nc2ccccn12 ZINC000530238162 305935490 /nfs/dbraw/zinc/93/54/90/305935490.db2.gz KGHHLBYSFVBQHW-KRWDZBQOSA-N 2 0 342.443 1.285 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)C[C@@H](C)O1 ZINC000425955324 447367029 /nfs/dbraw/zinc/36/70/29/447367029.db2.gz YZMDTAHZSXXVKY-MDZRGWNJSA-N 2 0 349.519 1.961 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)S(=O)(=O)N(C)CC(C)C ZINC000538687331 306032226 /nfs/dbraw/zinc/03/22/26/306032226.db2.gz SGASMDHMRXDWDQ-MRXNPFEDSA-N 2 0 348.557 1.167 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC1 ZINC000541893931 306049102 /nfs/dbraw/zinc/04/91/02/306049102.db2.gz LVOIKLBKRPQALW-HNNXBMFYSA-N 2 0 338.496 1.171 20 0 EDADRP COc1ccc2c(c1)[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC2 ZINC000555309584 306201135 /nfs/dbraw/zinc/20/11/35/306201135.db2.gz LFVAJFGBLFSEBK-QGZVFWFLSA-N 2 0 333.476 1.677 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000557232971 306226996 /nfs/dbraw/zinc/22/69/96/306226996.db2.gz MXTVFWZBXJMUHS-NYTXWWLZSA-N 2 0 349.504 1.133 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000414943268 447368096 /nfs/dbraw/zinc/36/80/96/447368096.db2.gz FFOSMKDSZQUMAV-HZPDHXFCSA-N 2 0 332.448 1.334 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000419732237 447380086 /nfs/dbraw/zinc/38/00/86/447380086.db2.gz SEJSCQXJYPYHAB-OAHLLOKOSA-N 2 0 346.475 1.006 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000426321772 447415075 /nfs/dbraw/zinc/41/50/75/447415075.db2.gz FNMPQLPPMVSULI-QGZVFWFLSA-N 2 0 335.492 1.765 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)NCC2([NH3+])CCCCC2)C[C@@H]1C ZINC000419802708 447422811 /nfs/dbraw/zinc/42/28/11/447422811.db2.gz MEOYEJBMMGERNE-LSDHHAIUSA-N 2 0 338.496 1.095 20 0 EDADRP CN1C(=O)N[C@@]2(CCC[C@@H]2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000378478559 447433558 /nfs/dbraw/zinc/43/35/58/447433558.db2.gz XFPWHUBSLKYKGC-FZKQIMNGSA-N 2 0 336.480 1.559 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000098034473 441148414 /nfs/dbraw/zinc/14/84/14/441148414.db2.gz AVHJCNOZUBTURJ-BRWVUGGUSA-N 2 0 342.528 1.620 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(OC(F)F)c1 ZINC000103211533 441177247 /nfs/dbraw/zinc/17/72/47/441177247.db2.gz CTIGKAPRAKEDSI-UHFFFAOYSA-N 2 0 329.391 1.853 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cc1coc(-c2ccccc2)n1 ZINC000103212323 441178323 /nfs/dbraw/zinc/17/83/23/441178323.db2.gz WOYHRRLQNDXDFU-UHFFFAOYSA-N 2 0 344.459 1.836 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000080653184 441187188 /nfs/dbraw/zinc/18/71/88/441187188.db2.gz IQLHUHGEMQGFAM-KURKYZTESA-N 2 0 336.524 1.251 20 0 EDADRP Cn1nccc1C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000080201364 441150556 /nfs/dbraw/zinc/15/05/56/441150556.db2.gz OYISBNXTDMDFPE-KRWDZBQOSA-N 2 0 341.459 1.407 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000105134998 441237067 /nfs/dbraw/zinc/23/70/67/441237067.db2.gz CAYFJEJUOWCPFE-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP Cc1[nH]c2ccccc2c1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104533190 441197319 /nfs/dbraw/zinc/19/73/19/441197319.db2.gz IWXQIPACJCBSMP-UHFFFAOYSA-N 2 0 330.476 1.971 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000072974839 441281625 /nfs/dbraw/zinc/28/16/25/441281625.db2.gz YIMQFDDSNWMOSZ-QZTJIDSGSA-N 2 0 337.508 1.822 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000073012871 441285645 /nfs/dbraw/zinc/28/56/45/441285645.db2.gz GYMQLZKLUNYRAN-KRWDZBQOSA-N 2 0 330.476 1.116 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073611321 441332426 /nfs/dbraw/zinc/33/24/26/441332426.db2.gz MCCIMIQERJXCEH-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000073444635 441318024 /nfs/dbraw/zinc/31/80/24/441318024.db2.gz FYXGZHCKMZFFLS-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[C@H]([NH+](C)Cc2ccccc2)C1 ZINC000074065052 441388456 /nfs/dbraw/zinc/38/84/56/441388456.db2.gz WHYBHBDCVHVEJE-SFHVURJKSA-N 2 0 348.491 1.481 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(OC)ccc3OC)C2)CC1 ZINC000107371207 441413827 /nfs/dbraw/zinc/41/38/27/441413827.db2.gz OWQUVAULCMKCTH-KRWDZBQOSA-N 2 0 333.476 1.916 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(C)(C)C[NH+](C)C ZINC000085425806 441439688 /nfs/dbraw/zinc/43/96/88/441439688.db2.gz QHOSLFOXAAILBF-HZPDHXFCSA-N 2 0 342.528 1.715 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000108541119 441462075 /nfs/dbraw/zinc/46/20/75/441462075.db2.gz BIASYLBSYWYETI-MOPGFXCFSA-N 2 0 344.503 1.943 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)N1CC[NH+](CC)CC1)c1ccccc1 ZINC000112916947 441567566 /nfs/dbraw/zinc/56/75/66/441567566.db2.gz DBIOMDAWLDHHKK-HKUYNNGSSA-N 2 0 346.519 1.822 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1)[NH+](C)C ZINC000089962857 441606574 /nfs/dbraw/zinc/60/65/74/441606574.db2.gz QXQLCTCGSPOPFD-OKZBNKHCSA-N 2 0 333.476 1.324 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000114016663 441630735 /nfs/dbraw/zinc/63/07/35/441630735.db2.gz ZIPQTBVXXBLIHP-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)s1 ZINC000090581919 441637104 /nfs/dbraw/zinc/63/71/04/441637104.db2.gz IARBZYMYYANOIB-WCQYABFASA-N 2 0 331.507 1.265 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H](C)C(C)C ZINC000067653858 441663234 /nfs/dbraw/zinc/66/32/34/441663234.db2.gz SPPYNWGPKOVUAZ-IRXDYDNUSA-N 2 0 327.513 1.826 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000137403848 441767799 /nfs/dbraw/zinc/76/77/99/441767799.db2.gz SDNAJLPKOOEJAQ-IAGOWNOFSA-N 2 0 335.517 1.713 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[C@H]1[NH3+] ZINC000415440349 447442489 /nfs/dbraw/zinc/44/24/89/447442489.db2.gz MMJBWBVRZTWMSR-CSMYWGQOSA-N 2 0 344.459 1.370 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+]1CCCCCC1 ZINC000173812342 441844736 /nfs/dbraw/zinc/84/47/36/441844736.db2.gz IZFYNYMAGBJKPV-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)c1cccs1 ZINC000077749923 441847202 /nfs/dbraw/zinc/84/72/02/441847202.db2.gz ZVSPXNCNXWLTKF-CYBMUJFWSA-N 2 0 340.493 1.107 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000174291688 441910333 /nfs/dbraw/zinc/91/03/33/441910333.db2.gz GTKOKQZKHLRRSD-MRXNPFEDSA-N 2 0 326.485 1.082 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000151148244 442014376 /nfs/dbraw/zinc/01/43/76/442014376.db2.gz QUCJVWCOMCZQNO-BZSNNMDCSA-N 2 0 326.481 1.493 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](C(C)C)CC2)C1 ZINC000069731694 442023546 /nfs/dbraw/zinc/02/35/46/442023546.db2.gz YNIWCLYOHYCHDZ-KRWDZBQOSA-N 2 0 340.512 1.469 20 0 EDADRP COCc1ccccc1CNC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175600583 442091834 /nfs/dbraw/zinc/09/18/34/442091834.db2.gz UUVVEFNEVNWZTG-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C(C)C ZINC000175533619 442081079 /nfs/dbraw/zinc/08/10/79/442081079.db2.gz FPZGIIWNFWXPCX-KRWDZBQOSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CC(=O)N3CCCC3)CC2)C[C@H](C)O1 ZINC000175796525 442124601 /nfs/dbraw/zinc/12/46/01/442124601.db2.gz QLWWGDWMOZXGIC-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)COc3ccc4c(c3)OCO4)CC[C@@H]21 ZINC000162818188 442125006 /nfs/dbraw/zinc/12/50/06/442125006.db2.gz CDHRKTTVFVTVBH-ZOBUZTSGSA-N 2 0 348.443 1.571 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)NC[C@H]1CC[NH+](C2CC2)C1 ZINC000126616392 442127398 /nfs/dbraw/zinc/12/73/98/442127398.db2.gz NQSBZLOUBRRWFX-MRXNPFEDSA-N 2 0 342.487 1.828 20 0 EDADRP COCCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1 ZINC000162504556 442098373 /nfs/dbraw/zinc/09/83/73/442098373.db2.gz SXRQIHBVLURCRW-KRWDZBQOSA-N 2 0 335.492 2.000 20 0 EDADRP COC1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CC[NH2+]CC1 ZINC000165653237 442210348 /nfs/dbraw/zinc/21/03/48/442210348.db2.gz ODRAYKPJALHIEP-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000167415415 442221008 /nfs/dbraw/zinc/22/10/08/442221008.db2.gz UFNXOCUIHXYPLA-IBGZPJMESA-N 2 0 331.460 1.259 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000168879394 442225369 /nfs/dbraw/zinc/22/53/69/442225369.db2.gz WTDNDODLSMWOIO-HNNXBMFYSA-N 2 0 341.521 1.233 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC[N@@H+]1C ZINC000128651366 442280325 /nfs/dbraw/zinc/28/03/25/442280325.db2.gz RDANIYHFQJIWEP-DLBZAZTESA-N 2 0 345.491 1.193 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000171195204 442325478 /nfs/dbraw/zinc/32/54/78/442325478.db2.gz LDBIJEUEISQPHQ-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CC[NH+](C2CCCC2)CC1 ZINC000154325001 442332869 /nfs/dbraw/zinc/33/28/69/442332869.db2.gz ZKYCQHVOBQZQQK-SFHVURJKSA-N 2 0 335.492 1.717 20 0 EDADRP COc1cccc2c1CC[C@@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000154653179 442350003 /nfs/dbraw/zinc/35/00/03/442350003.db2.gz JTHCPLUXBULFNZ-KRWDZBQOSA-N 2 0 348.491 1.817 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000177504257 442350625 /nfs/dbraw/zinc/35/06/25/442350625.db2.gz HCVIMDZVKSFFMM-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](Cc2nccn2C)C1)N1CCSCC1 ZINC000153896863 442309321 /nfs/dbraw/zinc/30/93/21/442309321.db2.gz QNRFORVZGSDBAV-HUUCEWRRSA-N 2 0 336.505 1.639 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000178874979 442511454 /nfs/dbraw/zinc/51/14/54/442511454.db2.gz AEMVRLTXDSNFSB-LJQANCHMSA-N 2 0 344.503 1.453 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H]1CCn2cncc2C1 ZINC000135955978 442642953 /nfs/dbraw/zinc/64/29/53/442642953.db2.gz AWLJHHLBBFDXMN-HNNXBMFYSA-N 2 0 348.516 1.923 20 0 EDADRP CCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000192721562 442680117 /nfs/dbraw/zinc/68/01/17/442680117.db2.gz GLNYXWJFCQDNGX-KRWDZBQOSA-N 2 0 345.553 1.302 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000188056454 442706082 /nfs/dbraw/zinc/70/60/82/442706082.db2.gz SXZBAXGVBKPRGB-VQIMIIECSA-N 2 0 333.476 1.897 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCO2)cc1 ZINC000188060627 442706500 /nfs/dbraw/zinc/70/65/00/442706500.db2.gz XWPDFGVEMBZVAK-CRAIPNDOSA-N 2 0 331.460 1.666 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187322077 442669838 /nfs/dbraw/zinc/66/98/38/442669838.db2.gz JCYIMTRTFSXHGJ-KRWDZBQOSA-N 2 0 340.512 1.376 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cncc(O)c1 ZINC000181952410 442723578 /nfs/dbraw/zinc/72/35/78/442723578.db2.gz DQJQVIPRBLDXRK-OZSKJFCKSA-N 2 0 346.475 1.675 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000193292208 442730079 /nfs/dbraw/zinc/73/00/79/442730079.db2.gz SOSIUSCQTAETRI-RDJZCZTQSA-N 2 0 338.496 1.127 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N(C)CCCN2CC[NH+](C)CC2)CC1 ZINC000182203991 442745133 /nfs/dbraw/zinc/74/51/33/442745133.db2.gz DDGOOQXQQKSOMW-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000182487934 442775596 /nfs/dbraw/zinc/77/55/96/442775596.db2.gz JMSUTYUBJFJTAZ-CQSZACIVSA-N 2 0 328.478 1.540 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC[C@H](C)[NH+](C)C2CC2)C1 ZINC000246396656 442779023 /nfs/dbraw/zinc/77/90/23/442779023.db2.gz JJVMINGSSOQWNV-HOCLYGCPSA-N 2 0 326.485 1.125 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOCc2ccccc2)CC1 ZINC000182516080 442779478 /nfs/dbraw/zinc/77/94/78/442779478.db2.gz DKVUWGWGSLSOFI-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP CC[N@H+](CC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000193778887 442785306 /nfs/dbraw/zinc/78/53/06/442785306.db2.gz ILTLLTOEKKPUAW-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)C1 ZINC000265523154 442808779 /nfs/dbraw/zinc/80/87/79/442808779.db2.gz IGWJEYZUALGGOD-MSOLQXFVSA-N 2 0 348.491 1.618 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188796205 442814964 /nfs/dbraw/zinc/81/49/64/442814964.db2.gz DRFIXKHQVBDLGP-ZWKOTPCHSA-N 2 0 348.466 1.140 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H](O)COc1ccccc1F ZINC000182969229 442857213 /nfs/dbraw/zinc/85/72/13/442857213.db2.gz DOCFTBLCLAZOLH-MRXNPFEDSA-N 2 0 339.455 1.135 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000247812259 442868684 /nfs/dbraw/zinc/86/86/84/442868684.db2.gz VFMXBQOTYHHNIO-IXDOHACOSA-N 2 0 339.528 1.042 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc2n[nH]nc2c1 ZINC000195122454 442985181 /nfs/dbraw/zinc/98/51/81/442985181.db2.gz KOMCPBGBXYIELU-OAHLLOKOSA-N 2 0 344.463 1.446 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000195138782 442988316 /nfs/dbraw/zinc/98/83/16/442988316.db2.gz ZWFMCCLVXXFBRN-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@H](C[S@](C)=O)[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000184257022 443006222 /nfs/dbraw/zinc/00/62/22/443006222.db2.gz UJVKVBPLLYSFNF-DMZKTXOQSA-N 2 0 343.924 1.948 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](Cc2ccccc2)[NH+](C)C)CC1 ZINC000268494846 443009747 /nfs/dbraw/zinc/00/97/47/443009747.db2.gz SLLLKVRFLWVMLC-SFHVURJKSA-N 2 0 347.503 1.511 20 0 EDADRP OC[C@H]1CCCN(c2cc(N3CC[C@@H]([NH+]4CC=CC4)C3)ncn2)C1 ZINC000266281203 443084705 /nfs/dbraw/zinc/08/47/05/443084705.db2.gz UFYMLJNWJCJLBS-JKSUJKDBSA-N 2 0 329.448 1.136 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)C[NH2+]C3CC3)CC2)cc1 ZINC000237286652 443166951 /nfs/dbraw/zinc/16/69/51/443166951.db2.gz NWWFKQZCYHVUST-UHFFFAOYSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)C[NH2+]C2CC2)CCOCC1)c1ccccc1 ZINC000237401196 443170755 /nfs/dbraw/zinc/17/07/55/443170755.db2.gz BKGYBMDKFQUTIO-OAHLLOKOSA-N 2 0 331.460 1.755 20 0 EDADRP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268975835 443163217 /nfs/dbraw/zinc/16/32/17/443163217.db2.gz JEGUQQLOTXCLTP-AWEZNQCLSA-N 2 0 335.448 1.459 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC000245432243 443226950 /nfs/dbraw/zinc/22/69/50/443226950.db2.gz OMNHYFKPHUNCSV-WMZOPIPTSA-N 2 0 338.540 1.638 20 0 EDADRP CC(C)CNC(=O)NC(=O)CN[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185674587 443236386 /nfs/dbraw/zinc/23/63/86/443236386.db2.gz TWBSYFOQRICCCH-HUUCEWRRSA-N 2 0 338.496 1.711 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1CO ZINC000269124278 443205464 /nfs/dbraw/zinc/20/54/64/443205464.db2.gz UYCGRMDTOWTJLS-QZTJIDSGSA-N 2 0 333.476 1.326 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[C@H](C)[NH+](Cc2ccccc2)CC1 ZINC000382643016 319124324 /nfs/dbraw/zinc/12/43/24/319124324.db2.gz GEQMCKUCJARFKT-AZUAARDMSA-N 2 0 349.519 1.522 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)COC1CC[NH2+]CC1 ZINC000382730478 319124869 /nfs/dbraw/zinc/12/48/69/319124869.db2.gz APMGBYGOQYJHBU-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)N(C)Cc2ccco2)CC1 ZINC000411806795 319206006 /nfs/dbraw/zinc/20/60/06/319206006.db2.gz JKJXQWCEVRIPHR-UHFFFAOYSA-N 2 0 336.480 1.244 20 0 EDADRP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)Cn1ccnn1 ZINC000414194013 319319135 /nfs/dbraw/zinc/31/91/35/319319135.db2.gz UHIIBYUHJBVXFL-RDGPPVDQSA-N 2 0 341.459 1.424 20 0 EDADRP C[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCSCC1 ZINC000414206253 319320021 /nfs/dbraw/zinc/32/00/21/319320021.db2.gz YBKQBHJJFKZMCY-MRXNPFEDSA-N 2 0 341.565 1.904 20 0 EDADRP CC[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccccc1C ZINC000415082322 319345713 /nfs/dbraw/zinc/34/57/13/319345713.db2.gz OEYWYCKJRIRUFM-DLBZAZTESA-N 2 0 333.476 1.939 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCN1Cc1ccccc1 ZINC000415127715 319346990 /nfs/dbraw/zinc/34/69/90/319346990.db2.gz SGNJQERQGOTBBN-IEBWSBKVSA-N 2 0 344.503 1.390 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000415686721 319363924 /nfs/dbraw/zinc/36/39/24/319363924.db2.gz IWMNZYXLZGWDQS-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000415746360 319369154 /nfs/dbraw/zinc/36/91/54/319369154.db2.gz OQURNDQLPCMIDU-DYVFJYSZSA-N 2 0 344.459 1.210 20 0 EDADRP C[C@@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C(C)(C)C[NH+](C)C ZINC000415958723 319385002 /nfs/dbraw/zinc/38/50/02/319385002.db2.gz MCUYIIDHLBYNSK-TZMCWYRMSA-N 2 0 333.480 1.995 20 0 EDADRP CC[C@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1C[C@H](C)O ZINC000415972473 319386596 /nfs/dbraw/zinc/38/65/96/319386596.db2.gz MEXNWBPTWYQCOU-YOEHRIQHSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000185890759 443277020 /nfs/dbraw/zinc/27/70/20/443277020.db2.gz MHRSPTKVDLHWML-UHFFFAOYSA-N 2 0 333.476 1.964 20 0 EDADRP C[NH+](C)CCCCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266839487 443263226 /nfs/dbraw/zinc/26/32/26/443263226.db2.gz NGGPHCQCVUFNHL-UHFFFAOYSA-N 2 0 332.492 1.506 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C(C)C ZINC000416805630 319461547 /nfs/dbraw/zinc/46/15/47/319461547.db2.gz LDWFSDNNEAIANL-SJORKVTESA-N 2 0 340.512 1.643 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416944675 319481551 /nfs/dbraw/zinc/48/15/51/319481551.db2.gz DIPLXXSMCDSBMP-WBVHZDCISA-N 2 0 340.512 1.422 20 0 EDADRP CC(C)([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418414808 319500418 /nfs/dbraw/zinc/50/04/18/319500418.db2.gz MEXAJSIZXHQZNN-FZMZJTMJSA-N 2 0 326.391 1.447 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418913651 319531712 /nfs/dbraw/zinc/53/17/12/319531712.db2.gz GSNGLORASYYYSN-DAYGRLMNSA-N 2 0 340.512 1.247 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000418931182 319535209 /nfs/dbraw/zinc/53/52/09/319535209.db2.gz CWYDVTKZSRHHAA-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000272623093 443386423 /nfs/dbraw/zinc/38/64/23/443386423.db2.gz YMIXWNHDSYOOBU-HSALFYBXSA-N 3 0 343.515 1.943 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1[nH]nc2ccccc21 ZINC000264863816 443458004 /nfs/dbraw/zinc/45/80/04/443458004.db2.gz FLKHADSIKOGILA-UHFFFAOYSA-N 2 0 345.491 1.837 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423309476 319763255 /nfs/dbraw/zinc/76/32/55/319763255.db2.gz LKWGSAGGMJGJJC-ZWKOTPCHSA-N 2 0 341.459 1.840 20 0 EDADRP C[NH+](C)C1CCN(CCN[C@H](c2nc[nH]n2)c2ccccc2)CC1 ZINC000279098123 443512870 /nfs/dbraw/zinc/51/28/70/443512870.db2.gz UZAPRDBVHOUWGK-KRWDZBQOSA-N 2 0 328.464 1.510 20 0 EDADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000423396673 319771257 /nfs/dbraw/zinc/77/12/57/319771257.db2.gz UCVBOTXXRQDYNH-XHDPSFHLSA-N 2 0 345.365 1.902 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCS1 ZINC000272937707 443495319 /nfs/dbraw/zinc/49/53/19/443495319.db2.gz IBJHTKDJTWYHSX-QGZVFWFLSA-N 2 0 348.516 1.996 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCCN1CC[NH+](C)CC1 ZINC000439081219 320040035 /nfs/dbraw/zinc/04/00/35/320040035.db2.gz VGKLUCGKUBHINI-HNNXBMFYSA-N 2 0 348.491 1.942 20 0 EDADRP C[C@@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000439408312 320047041 /nfs/dbraw/zinc/04/70/41/320047041.db2.gz JUJLQMFVCREKQW-XHSDSOJGSA-N 2 0 325.497 1.817 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCSC1 ZINC000440261606 320066833 /nfs/dbraw/zinc/06/68/33/320066833.db2.gz UIHIEJZICPFEQI-NVXWUHKLSA-N 2 0 325.522 1.947 20 0 EDADRP CCN1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1=O ZINC000449516151 320193465 /nfs/dbraw/zinc/19/34/65/320193465.db2.gz FAMUCHVKKICXHU-KRWDZBQOSA-N 2 0 344.503 1.927 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc([S@@](C)=O)cc2)CC1 ZINC000449744843 320204045 /nfs/dbraw/zinc/20/40/45/320204045.db2.gz KEOJXOBXTKSIQA-HSZRJFAPSA-N 2 0 337.533 1.930 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[NH+](C)C)c1 ZINC000457476855 320327378 /nfs/dbraw/zinc/32/73/78/320327378.db2.gz KTZYOLOHZIMMQJ-RYQLBKOJSA-N 2 0 346.475 1.643 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)C1C[NH+](C2CCCCC2)C1 ZINC000457587957 320329620 /nfs/dbraw/zinc/32/96/20/320329620.db2.gz IPANPTFRPMOYPB-MRXNPFEDSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)C[C@@H]1[NH+](C)C ZINC000276296882 443683169 /nfs/dbraw/zinc/68/31/69/443683169.db2.gz PXOUCMFCISXLMN-QAPCUYQASA-N 2 0 332.492 1.882 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCC3)[C@H]2C)c(C)n1 ZINC000288140749 443783693 /nfs/dbraw/zinc/78/36/93/443783693.db2.gz LLZQFIKZUOCWRY-ZBFHGGJFSA-N 2 0 330.432 1.722 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)[NH+](C)C)c1 ZINC000280926439 443776121 /nfs/dbraw/zinc/77/61/21/443776121.db2.gz UNSWSDPRUNEGCY-AYBZRNKSSA-N 2 0 331.460 1.804 20 0 EDADRP CC(C)[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1cccnc1 ZINC000531439265 320660646 /nfs/dbraw/zinc/66/06/46/320660646.db2.gz SMJLOHNHLZHIBK-GOSISDBHSA-N 2 0 349.523 1.956 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2CCn3cncc3C2)[C@@H]1c1ccccc1 ZINC000293068920 443916914 /nfs/dbraw/zinc/91/69/14/443916914.db2.gz SATFFJUVWMQRDA-SJORKVTESA-N 2 0 325.416 1.854 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc12 ZINC000288797683 443986257 /nfs/dbraw/zinc/98/62/57/443986257.db2.gz CUDWOZQJOPOICX-UHFFFAOYSA-N 2 0 332.496 1.592 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC000293501487 444035812 /nfs/dbraw/zinc/03/58/12/444035812.db2.gz SNWCFDIXBKJDSU-UHFFFAOYSA-N 2 0 348.491 1.760 20 0 EDADRP CSCc1cnc(CNCCC[N@@H+]2CCC[C@@H]2C(N)=O)s1 ZINC000293643319 444077993 /nfs/dbraw/zinc/07/79/93/444077993.db2.gz RWQXNXHNQUCUDJ-GFCCVEGCSA-N 2 0 328.507 1.436 20 0 EDADRP O=C(NCC1=CC[NH2+]CC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000557113784 320999888 /nfs/dbraw/zinc/99/98/88/320999888.db2.gz VSNICGHBOKGEOK-UHFFFAOYSA-N 2 0 342.487 1.912 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000562818992 321079055 /nfs/dbraw/zinc/07/90/55/321079055.db2.gz XEPBCNNDVLZBKS-FVQHAEBGSA-N 2 0 328.460 1.558 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2ccccc2CC[NH2+]C)CC1 ZINC000563212969 321100754 /nfs/dbraw/zinc/10/07/54/321100754.db2.gz HZDVVVAWQAYIGZ-KRWDZBQOSA-N 2 0 346.519 1.452 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000563213049 321100784 /nfs/dbraw/zinc/10/07/84/321100784.db2.gz LVIMOSANNYDBHM-XLIONFOSSA-N 2 0 348.535 1.393 20 0 EDADRP C[NH+](C)CCN(C(=O)c1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000564349070 321127495 /nfs/dbraw/zinc/12/74/95/321127495.db2.gz KBZOVWLXWLEVAY-UHFFFAOYSA-N 2 0 329.448 1.653 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000564670707 321141083 /nfs/dbraw/zinc/14/10/83/321141083.db2.gz QXJOYVBCEVXWTN-QGZVFWFLSA-N 2 0 340.512 1.374 20 0 EDADRP c1nc([C@@H](Nc2ccc(N3CC[NH2+]CC3)cn2)c2ccccc2)n[nH]1 ZINC000564822034 321149940 /nfs/dbraw/zinc/14/99/40/321149940.db2.gz BLZNLYBRDOZHJC-KRWDZBQOSA-N 2 0 335.415 1.811 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000566009858 321210603 /nfs/dbraw/zinc/21/06/03/321210603.db2.gz OZJBAECWWLKTJI-JKQORVJESA-N 2 0 346.475 1.180 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)C1CC[NH2+]CC1 ZINC000567587482 321247486 /nfs/dbraw/zinc/24/74/86/321247486.db2.gz MGJPUSNGBLZNOQ-LSBZLQRGSA-N 2 0 337.508 1.757 20 0 EDADRP CC[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567688471 321252641 /nfs/dbraw/zinc/25/26/41/321252641.db2.gz QRFGOWQPQTUSMR-IRXDYDNUSA-N 2 0 337.533 1.755 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[C@@H](O)C[NH+]2Cc2ccccc2)C1 ZINC000568202704 321280256 /nfs/dbraw/zinc/28/02/56/321280256.db2.gz UCQZYSCGUCHPOF-BPQIPLTHSA-N 2 0 331.460 1.080 20 0 EDADRP COc1cc(N[C@H]2CCC[N@H+](CCN3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000570570909 321348955 /nfs/dbraw/zinc/34/89/55/321348955.db2.gz NXAFCUIJMUEQCJ-INIZCTEOSA-N 2 0 348.491 1.485 20 0 EDADRP CN(C)c1ncccc1O[C@@H]1CC[N@H+](Cc2cccc(C(N)=O)c2)C1 ZINC000289322780 444107559 /nfs/dbraw/zinc/10/75/59/444107559.db2.gz KEBGYXKTNWQVLY-MRXNPFEDSA-N 2 0 340.427 1.900 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000574742612 321498106 /nfs/dbraw/zinc/49/81/06/321498106.db2.gz VMOWACPRNQHCEX-ZWKOTPCHSA-N 2 0 330.476 1.773 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000289838371 444209955 /nfs/dbraw/zinc/20/99/55/444209955.db2.gz AVHMEJKTMIPCKK-CHWSQXEVSA-N 2 0 339.461 1.282 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)c1cnn(-c2ccncc2)c1 ZINC000296233120 444214539 /nfs/dbraw/zinc/21/45/39/444214539.db2.gz KSXPWPADTGAREH-UHFFFAOYSA-N 2 0 343.431 1.450 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C[NH3+])OC)c1ccccc1Cl ZINC000289900281 444217102 /nfs/dbraw/zinc/21/71/02/444217102.db2.gz JDGIQSHZHRRHLM-GJZGRUSLSA-N 2 0 327.856 1.813 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNc2nc(C(C)C)nc(N(C)C)n2)C1 ZINC000301939990 444197656 /nfs/dbraw/zinc/19/76/56/444197656.db2.gz TZBGVLKHYPSKQJ-CQSZACIVSA-N 2 0 336.484 1.830 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@H]([NH3+])CCC(=O)OC)[NH+](C)C)cc1 ZINC000290220799 444255824 /nfs/dbraw/zinc/25/58/24/444255824.db2.gz HZXLWDWFBSMXIX-CVEARBPZSA-N 2 0 335.448 1.248 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000303271502 444236042 /nfs/dbraw/zinc/23/60/42/444236042.db2.gz JTTVNBGOTXXJOG-BQFCYCMXSA-N 2 0 339.524 1.706 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000296580080 444240346 /nfs/dbraw/zinc/24/03/46/444240346.db2.gz WTEONWDGRXVBON-QGZVFWFLSA-N 2 0 332.492 1.309 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000290714922 444314373 /nfs/dbraw/zinc/31/43/73/444314373.db2.gz UVBHDSJGEOCJTB-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@@H]21 ZINC000297654469 444314413 /nfs/dbraw/zinc/31/44/13/444314413.db2.gz VVNDINCTRIYARX-WBVHZDCISA-N 2 0 327.432 1.960 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2ccccc2)CC(C)(C)O)CC1 ZINC000305794549 444281016 /nfs/dbraw/zinc/28/10/16/444281016.db2.gz UZDWJUGYTWDVCJ-UHFFFAOYSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000305834722 444282744 /nfs/dbraw/zinc/28/27/44/444282744.db2.gz WFXRQYGWCJODHK-MPGHIAIKSA-N 2 0 340.512 1.251 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000297367693 444284443 /nfs/dbraw/zinc/28/44/43/444284443.db2.gz LBRPQLPDAYVDER-HNNXBMFYSA-N 2 0 340.497 1.004 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000310851135 444292673 /nfs/dbraw/zinc/29/26/73/444292673.db2.gz OLABSKSGTLRVBE-UYAOXDASSA-N 2 0 345.487 1.641 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)[NH+](C)C ZINC000323320938 444342622 /nfs/dbraw/zinc/34/26/22/444342622.db2.gz TXQCZFGEUSXCMU-LDDOYCOJSA-N 2 0 325.497 1.611 20 0 EDADRP O=c1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)nc2ccc(Cl)cn12 ZINC000323759718 444346015 /nfs/dbraw/zinc/34/60/15/444346015.db2.gz AAIKTRWEQBBLRG-BETUJISGSA-N 2 0 332.835 1.779 20 0 EDADRP C[N@H+](CC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CCSC1 ZINC000339980044 444347138 /nfs/dbraw/zinc/34/71/38/444347138.db2.gz ZPCHVWPIQNZJAC-HOCLYGCPSA-N 2 0 341.521 1.041 20 0 EDADRP CC(C)Oc1ccc2[nH+]ccc(N3CCN4C(=O)[C@@H]([NH3+])C[C@@H]4C3)c2c1 ZINC000578668429 321813315 /nfs/dbraw/zinc/81/33/15/321813315.db2.gz BISHYFROYSMHSN-CJNGLKHVSA-N 2 0 340.427 1.770 20 0 EDADRP COCC1(CNC(=O)N2CCC[C@@H]2C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000579211653 321899890 /nfs/dbraw/zinc/89/98/90/321899890.db2.gz BWFZCZAIECDPRD-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1CC1CC[NH2+]CC1 ZINC000580172485 322017766 /nfs/dbraw/zinc/01/77/66/322017766.db2.gz UDHZYECLRVHJNC-INIZCTEOSA-N 2 0 337.414 1.956 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@H](C)O1 ZINC000580305835 322033777 /nfs/dbraw/zinc/03/37/77/322033777.db2.gz WUTIADCHDISGNJ-RVKKMQEKSA-N 2 0 331.460 1.770 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCO1 ZINC000580539100 322063503 /nfs/dbraw/zinc/06/35/03/322063503.db2.gz IPGYSQJRSTVQGT-ROUUACIJSA-N 2 0 346.475 1.583 20 0 EDADRP Cn1ccnc1[C@@H](CC(=O)NC[C@H]1CCC[N@H+](C)C1)C(F)(F)F ZINC000580568261 322069305 /nfs/dbraw/zinc/06/93/05/322069305.db2.gz AXDAOADXPUBLJQ-VXGBXAGGSA-N 2 0 332.370 1.914 20 0 EDADRP Cc1cc(C)cc(OC[C@@H](O)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000581306151 322161819 /nfs/dbraw/zinc/16/18/19/322161819.db2.gz SGBXBMLHFHAVML-SFHVURJKSA-N 2 0 349.519 1.659 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000581380229 322171344 /nfs/dbraw/zinc/17/13/44/322171344.db2.gz MEGYNPKGCISWRR-SJORKVTESA-N 2 0 339.505 1.874 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478099 322181822 /nfs/dbraw/zinc/18/18/22/322181822.db2.gz DRRTZMXTPCYCEB-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH3+])CCCCCC2)[C@H](C)C1 ZINC000581478364 322182085 /nfs/dbraw/zinc/18/20/85/322182085.db2.gz GWSGYNCQEGWQBU-CABCVRRESA-N 2 0 326.485 1.135 20 0 EDADRP COC[C@]1(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CCC[NH2+]1 ZINC000581487545 322183656 /nfs/dbraw/zinc/18/36/56/322183656.db2.gz USFLBMMMKZHTEV-SJLPKXTDSA-N 2 0 332.448 1.023 20 0 EDADRP COC(=O)[C@](C)(O)C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000343709103 444535211 /nfs/dbraw/zinc/53/52/11/444535211.db2.gz CCEAXPRAAJBMTC-GOSISDBHSA-N 2 0 335.448 1.544 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C[C@H]21 ZINC000342129745 444524285 /nfs/dbraw/zinc/52/42/85/444524285.db2.gz HHIGVMYEQBKXBU-XJFOESAGSA-N 2 0 333.398 1.847 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@]2(CC)CCC[NH2+]2)CC1 ZINC000343767304 444576409 /nfs/dbraw/zinc/57/64/09/444576409.db2.gz HDOARCXCDJSVLX-SFHVURJKSA-N 2 0 325.497 1.868 20 0 EDADRP Cc1cnc(CNCc2cccc(C(=O)NCC[NH+](C)C)c2)n1C ZINC000341006801 444627770 /nfs/dbraw/zinc/62/77/70/444627770.db2.gz IQTONVVVHFFDMC-UHFFFAOYSA-N 2 0 329.448 1.310 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@H]2C)CC1 ZINC000343797168 444598542 /nfs/dbraw/zinc/59/85/42/444598542.db2.gz LJRVOQPNPXUANH-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000341000323 444624528 /nfs/dbraw/zinc/62/45/28/444624528.db2.gz YWMYUDCXOAAEAZ-RTBURBONSA-N 2 0 345.487 1.736 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)[C@H]2C1 ZINC000333306139 444655332 /nfs/dbraw/zinc/65/53/32/444655332.db2.gz KYCQTUXCSVDBFT-IFIJOSMWSA-N 2 0 329.448 1.456 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000342349058 444646245 /nfs/dbraw/zinc/64/62/45/444646245.db2.gz QKRSJIOTSUPBGW-QAPCUYQASA-N 2 0 345.491 1.638 20 0 EDADRP Cc1nc2ccccc2n1CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000333927584 444720581 /nfs/dbraw/zinc/72/05/81/444720581.db2.gz WOBSELNVCIVJTD-HUUCEWRRSA-N 2 0 327.432 1.596 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C2)C1 ZINC000333623822 444686601 /nfs/dbraw/zinc/68/66/01/444686601.db2.gz ZYBOOPVOCPVTBF-KAPMFFAGSA-N 2 0 346.519 1.877 20 0 EDADRP CN(CCC[N@H+](C)CCc1ccc2c(c1)OCCO2)CC[NH+](C)C ZINC000344028204 444738069 /nfs/dbraw/zinc/73/80/69/444738069.db2.gz MIRDTBONLPJFHE-UHFFFAOYSA-N 2 0 335.492 1.816 20 0 EDADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344033803 444741760 /nfs/dbraw/zinc/74/17/60/444741760.db2.gz QRSIPGNAYCNFMN-KRWDZBQOSA-N 2 0 340.556 1.981 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000344039052 444744435 /nfs/dbraw/zinc/74/44/35/444744435.db2.gz AVJRVTUSPUPULA-OKZBNKHCSA-N 2 0 347.459 1.026 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045029 444747469 /nfs/dbraw/zinc/74/74/69/444747469.db2.gz XZPIARMXNASZQN-KSZLIROESA-N 2 0 340.556 1.695 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000341274041 444757901 /nfs/dbraw/zinc/75/79/01/444757901.db2.gz LFCNAYXXPPXCLJ-QGZVFWFLSA-N 2 0 331.464 1.479 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)CC1 ZINC000341286311 444762280 /nfs/dbraw/zinc/76/22/80/444762280.db2.gz QXPKMKSSBLMWEL-UHFFFAOYSA-N 2 0 331.526 1.651 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]([NH3+])CCS(C)(=O)=O)c1 ZINC000336868333 444812653 /nfs/dbraw/zinc/81/26/53/444812653.db2.gz WJXPZHBOJUSKIW-OAHLLOKOSA-N 2 0 341.477 1.229 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342695795 444819680 /nfs/dbraw/zinc/81/96/80/444819680.db2.gz QADSAUXYWBTWDD-QLFBSQMISA-N 2 0 327.469 1.141 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000336878483 444825016 /nfs/dbraw/zinc/82/50/16/444825016.db2.gz FQAVWYNPXYKQHH-YKTARERQSA-N 2 0 337.508 1.900 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000342762078 444853147 /nfs/dbraw/zinc/85/31/47/444853147.db2.gz XRSVHEOOCGXESH-OAHLLOKOSA-N 2 0 327.469 1.141 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[N@@H+]1C ZINC000344235391 444854943 /nfs/dbraw/zinc/85/49/43/444854943.db2.gz KWWWOJVMPHZJEY-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CCN1CCN(C(=O)CC2CC[NH+]([C@H]3CCCNC3=O)CC2)CC1 ZINC000330153280 444864665 /nfs/dbraw/zinc/86/46/65/444864665.db2.gz XCPWXVFSGDSPFM-INIZCTEOSA-N 2 0 336.480 1.372 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1nccn1C ZINC000341703228 444958143 /nfs/dbraw/zinc/95/81/43/444958143.db2.gz CVVXMYKUPFUOOY-CQSZACIVSA-N 2 0 335.496 1.697 20 0 EDADRP O=C(NCC[NH+]1CCC1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000337377935 445055802 /nfs/dbraw/zinc/05/58/02/445055802.db2.gz BNGWZEKJUULGMG-UHFFFAOYSA-N 2 0 330.476 1.698 20 0 EDADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399974 445063011 /nfs/dbraw/zinc/06/30/11/445063011.db2.gz QUFHOSBSIZOSBJ-NVXWUHKLSA-N 2 0 336.476 1.990 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000341917881 445072231 /nfs/dbraw/zinc/07/22/31/445072231.db2.gz FPUSNUJTALZGSK-LMMKCTJWSA-N 2 0 345.487 1.906 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cn(C)nn3)CC2)c1 ZINC000343154840 445101342 /nfs/dbraw/zinc/10/13/42/445101342.db2.gz SQXVUNNGEMUXTQ-UHFFFAOYSA-N 2 0 342.491 1.816 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1)[NH+](CC)CC ZINC000345103748 445164533 /nfs/dbraw/zinc/16/45/33/445164533.db2.gz KHGHASAEIGKLBR-KSZLIROESA-N 2 0 338.540 1.591 20 0 EDADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342095313 445169966 /nfs/dbraw/zinc/16/99/66/445169966.db2.gz GAVMOFYLSKXOTJ-OXXUSNJHSA-N 2 0 331.460 1.759 20 0 EDADRP Cn1cncc1C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000343540774 445240927 /nfs/dbraw/zinc/24/09/27/445240927.db2.gz GKVSCHWBJKKSLE-UHFFFAOYSA-N 2 0 347.507 1.624 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000348363227 445267265 /nfs/dbraw/zinc/26/72/65/445267265.db2.gz DGPYCBCQKRQOAA-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000347703363 445245443 /nfs/dbraw/zinc/24/54/43/445245443.db2.gz PWFZFAXLUWKQPJ-QZTJIDSGSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@H]1C[NH+](C)CCN1C ZINC000348535462 445317241 /nfs/dbraw/zinc/31/72/41/445317241.db2.gz UVTZJQGOJJXVPO-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000348108160 445271168 /nfs/dbraw/zinc/27/11/68/445271168.db2.gz JNVLPRWAZKZVQG-QBPKDAKJSA-N 2 0 338.496 1.364 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000351701406 445279159 /nfs/dbraw/zinc/27/91/59/445279159.db2.gz XFLAXGIJAATZEV-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C ZINC000357073309 445408287 /nfs/dbraw/zinc/40/82/87/445408287.db2.gz AWEQDFIUMLFZMN-FMKPAKJESA-N 2 0 336.484 1.052 20 0 EDADRP CCCCNC(=O)CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353339157 445589766 /nfs/dbraw/zinc/58/97/66/445589766.db2.gz PKGPMYYELJUMKZ-JWTNVVGKSA-N 2 0 336.524 1.536 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@H](N2CCOCC2)C[C@H]1C ZINC000358171557 445609743 /nfs/dbraw/zinc/60/97/43/445609743.db2.gz UCFMIVKJUZSSPU-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP COc1cc(CNC(=O)[C@]2(C)CCC[NH2+]C2)ccc1OCC[NH+](C)C ZINC000353511941 445635964 /nfs/dbraw/zinc/63/59/64/445635964.db2.gz WCOIJKYOQLADHE-LJQANCHMSA-N 2 0 349.475 1.642 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000358565097 445653580 /nfs/dbraw/zinc/65/35/80/445653580.db2.gz IBWUBORPILNDOA-IRXDYDNUSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)C1 ZINC000349750664 445665255 /nfs/dbraw/zinc/66/52/55/445665255.db2.gz WZEQGGVFXHAAPR-IAGOWNOFSA-N 2 0 338.496 1.221 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000353576328 445663472 /nfs/dbraw/zinc/66/34/72/445663472.db2.gz FPBAIGUQXOEAIA-WBVHZDCISA-N 2 0 346.475 1.840 20 0 EDADRP CCc1nc([C@H]2CCCN([C@@H](C)C(=O)N3CCN(CC)CC3)C2)no1 ZINC000363107249 445680730 /nfs/dbraw/zinc/68/07/30/445680730.db2.gz DQTALJHZFPPYER-GJZGRUSLSA-N 2 0 349.479 1.364 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C[C@@H](C)[NH+]1C ZINC000358670471 445705368 /nfs/dbraw/zinc/70/53/68/445705368.db2.gz BPAQSEWDPKBIDF-IAGOWNOFSA-N 2 0 345.491 1.145 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360406597 445705971 /nfs/dbraw/zinc/70/59/71/445705971.db2.gz OCHQALVBUOPJQJ-BBWFWOEESA-N 2 0 338.496 1.080 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CN(C)CCO1)[NH+]1CCCC1 ZINC000356277933 445714007 /nfs/dbraw/zinc/71/40/07/445714007.db2.gz JCKBVTCURQOPPX-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000358780996 445771357 /nfs/dbraw/zinc/77/13/57/445771357.db2.gz BRABFIHSJBRGBQ-BRWVUGGUSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000363229473 445732425 /nfs/dbraw/zinc/73/24/25/445732425.db2.gz DWZCMVARUGWIHD-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@@H](C)O1 ZINC000353796696 445760051 /nfs/dbraw/zinc/76/00/51/445760051.db2.gz PHMLQKSSQQOKHT-XKTBZMPXSA-N 2 0 337.508 1.756 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356378800 445761106 /nfs/dbraw/zinc/76/11/06/445761106.db2.gz BKTFHWRDDGHMBX-HZPDHXFCSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000350225012 445795906 /nfs/dbraw/zinc/79/59/06/445795906.db2.gz UKULAYADQVQSRG-IAGOWNOFSA-N 2 0 325.497 1.678 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356453056 445797809 /nfs/dbraw/zinc/79/78/09/445797809.db2.gz NUPADBURPOSMEW-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CC1CCC(=O)CC1 ZINC000356473138 445809481 /nfs/dbraw/zinc/80/94/81/445809481.db2.gz CNYMJSPQLQYZES-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000363556823 445857247 /nfs/dbraw/zinc/85/72/47/445857247.db2.gz FJDWRFQUUNSLGT-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP COc1cccc2c1CC[C@H]2[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000582175530 325791755 /nfs/dbraw/zinc/79/17/55/325791755.db2.gz CLRRQXQDDOHRQT-HLIPFELVSA-N 2 0 343.471 1.919 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000361739722 445907908 /nfs/dbraw/zinc/90/79/08/445907908.db2.gz YCQZZGFIQODWRN-MSOLQXFVSA-N 2 0 342.487 1.795 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)c1 ZINC000372898882 445910087 /nfs/dbraw/zinc/91/00/87/445910087.db2.gz XANBZKPYNLOKGR-SQGPQFPESA-N 2 0 345.487 1.897 20 0 EDADRP Cn1cc(N2CCC[C@@H]([N@H+](C)C[C@@H]3CCn4ccnc4C3)C2=O)cn1 ZINC000366014807 445963290 /nfs/dbraw/zinc/96/32/90/445963290.db2.gz ZEPJORUKAJMVLQ-GDBMZVCRSA-N 2 0 342.447 1.306 20 0 EDADRP CCCCOC[C@H](O)C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000366108670 446017512 /nfs/dbraw/zinc/01/75/12/446017512.db2.gz MSYOKRZJAQLOBA-ZWKOTPCHSA-N 2 0 327.513 1.264 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)CC2)CCO1 ZINC000366115194 446022513 /nfs/dbraw/zinc/02/25/13/446022513.db2.gz IIQHIZQZVHNFNL-KBPBESRZSA-N 2 0 347.463 1.162 20 0 EDADRP CCn1ccnc(N2CCC([NH2+]C3CC[NH+](C(C)C)CC3)CC2)c1=O ZINC000365107262 446030655 /nfs/dbraw/zinc/03/06/55/446030655.db2.gz GKTLRPQWOGHYIX-UHFFFAOYSA-N 2 0 347.507 1.694 20 0 EDADRP C[N@H+](CCO[C@H]1CCCCO1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373119435 446041491 /nfs/dbraw/zinc/04/14/91/446041491.db2.gz YQDRUCYJSGNWDF-ROUUACIJSA-N 2 0 325.497 1.630 20 0 EDADRP CC(C)n1cc([C@H](C)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cn1 ZINC000583839486 326148609 /nfs/dbraw/zinc/14/86/09/326148609.db2.gz KGBJPLIGHHJIEG-AWEZNQCLSA-N 2 0 333.480 1.858 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)C(=O)Nc1ccc2nccn2c1 ZINC000584031364 326185483 /nfs/dbraw/zinc/18/54/83/326185483.db2.gz RQXZYLQPRINZQY-OAHLLOKOSA-N 2 0 341.415 1.406 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000584171871 326214009 /nfs/dbraw/zinc/21/40/09/326214009.db2.gz JTBYSDLGENCMHF-INIZCTEOSA-N 2 0 342.447 1.413 20 0 EDADRP Cn1cnc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)n1 ZINC000356874461 446088301 /nfs/dbraw/zinc/08/83/01/446088301.db2.gz QGXNZCRGWPIHEK-RCCFBDPRSA-N 2 0 325.460 1.858 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@]12CCOC2 ZINC000359300150 446133398 /nfs/dbraw/zinc/13/33/98/446133398.db2.gz VDTZTENBFPJJAC-IEBWSBKVSA-N 2 0 344.459 1.137 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC[C@H](C)C1 ZINC000359280169 446115465 /nfs/dbraw/zinc/11/54/65/446115465.db2.gz WPRKSUPWQUOFNF-JYJNAYRXSA-N 2 0 340.512 1.070 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000359338536 446158816 /nfs/dbraw/zinc/15/88/16/446158816.db2.gz BXVMFYAYPRBEKL-RCCFBDPRSA-N 2 0 337.508 1.963 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)C3([NH3+])CCCC3)CC2)CC1 ZINC000366325275 446152144 /nfs/dbraw/zinc/15/21/44/446152144.db2.gz PFNOSNAOSDIXOS-UHFFFAOYSA-N 2 0 336.524 1.570 20 0 EDADRP [NH3+]CCc1nc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2c2ccc(F)cc2)cs1 ZINC000373518201 446246547 /nfs/dbraw/zinc/24/65/47/446246547.db2.gz XRFGHUYCDGPBHK-UONOGXRCSA-N 2 0 348.447 1.659 20 0 EDADRP CCc1nc(CN2C[C@@H]3C[NH+](CC[C@@H]4CCCC[N@@H+]4C)C[C@H]3C2)no1 ZINC000370503526 446308643 /nfs/dbraw/zinc/30/86/43/446308643.db2.gz UQZHJMIDOGZWJD-ULQDDVLXSA-N 2 0 347.507 1.870 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000365718418 446313945 /nfs/dbraw/zinc/31/39/45/446313945.db2.gz PQJUXGJJDKLEAR-INIZCTEOSA-N 2 0 337.439 1.518 20 0 EDADRP CCc1ccc([C@@H](CO)[NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)cc1 ZINC000359629334 446326644 /nfs/dbraw/zinc/32/66/44/446326644.db2.gz WPJDNCGGCMFYPC-LJQANCHMSA-N 2 0 345.487 1.615 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000362348190 446328538 /nfs/dbraw/zinc/32/85/38/446328538.db2.gz FNQCJXSHMMXSER-GOEBONIOSA-N 2 0 328.526 1.407 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417502791 446356565 /nfs/dbraw/zinc/35/65/65/446356565.db2.gz KVBCSYYELRAMFM-FUHWJXTLSA-N 2 0 330.476 1.554 20 0 EDADRP CCS(=O)(=O)CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376176523 446368443 /nfs/dbraw/zinc/36/84/43/446368443.db2.gz BUGQIOVXUDTPQN-UHFFFAOYSA-N 2 0 325.478 1.665 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000417668597 446369297 /nfs/dbraw/zinc/36/92/97/446369297.db2.gz JTOZXSDMIXTVNF-BZUAXINKSA-N 2 0 328.501 1.421 20 0 EDADRP CCNc1nc(NC(C)(C)C)nc(N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000376228930 446390741 /nfs/dbraw/zinc/39/07/41/446390741.db2.gz MOCLOIDWYVCRQD-ZDUSSCGKSA-N 2 0 333.484 1.610 20 0 EDADRP CN(C(=O)C[C@H](O)CC(C)(C)C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365894710 446392326 /nfs/dbraw/zinc/39/23/26/446392326.db2.gz KBUJDNOYSFIPND-SJORKVTESA-N 2 0 339.524 1.801 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000374880142 446431158 /nfs/dbraw/zinc/43/11/58/446431158.db2.gz KUHAGWCPPMNVDF-PMPSAXMXSA-N 2 0 337.464 1.483 20 0 EDADRP CC[C@H](NCC1(N2CCOCC2)CC[NH+](C)CC1)[C@@H]1CCCC[NH2+]1 ZINC000423168660 446446446 /nfs/dbraw/zinc/44/64/46/446446446.db2.gz HOPSCDUWAOLRBV-ROUUACIJSA-N 2 0 338.540 1.293 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000417996159 446410285 /nfs/dbraw/zinc/41/02/85/446410285.db2.gz QOEGOABRBOPZOB-YLFCFFPRSA-N 2 0 334.508 1.890 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000418029192 446420327 /nfs/dbraw/zinc/42/03/27/446420327.db2.gz ZEOHKPMBXUKYPF-JYJNAYRXSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418039675 446422504 /nfs/dbraw/zinc/42/25/04/446422504.db2.gz USCXWEAEFFLGDO-ROUUACIJSA-N 2 0 348.491 1.512 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)CC[NH+](C)CC1 ZINC000418202915 446455477 /nfs/dbraw/zinc/45/54/77/446455477.db2.gz URKAGIGNMBHGRK-GASCZTMLSA-N 2 0 340.537 1.455 20 0 EDADRP CC(C)Oc1ccc([C@H](CNC(=O)N(C)C2C[NH2+]C2)[NH+](C)C)cc1 ZINC000418212191 446459924 /nfs/dbraw/zinc/45/99/24/446459924.db2.gz ULZQPDQTWGOZRM-KRWDZBQOSA-N 2 0 334.464 1.690 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000420298432 446461320 /nfs/dbraw/zinc/46/13/20/446461320.db2.gz FHBVNGIISXEVBG-QYZOEREBSA-N 2 0 345.487 1.156 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000420309158 446472256 /nfs/dbraw/zinc/47/22/56/446472256.db2.gz OJTODYCAOGZXNM-BSDSXHPESA-N 3 0 330.476 1.075 20 0 EDADRP CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000420309753 446473383 /nfs/dbraw/zinc/47/33/83/446473383.db2.gz FEYFFRHEMWDEJT-ZWKOTPCHSA-N 2 0 335.492 1.780 20 0 EDADRP CC(C)(C)c1nc(CN2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)no1 ZINC000420309837 446474170 /nfs/dbraw/zinc/47/41/70/446474170.db2.gz FIZAAYNRORZGJI-HNNXBMFYSA-N 2 0 335.496 1.874 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)N(C)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420311458 446475028 /nfs/dbraw/zinc/47/50/28/446475028.db2.gz VYZNZYOUKVBFDP-UKRRQHHQSA-N 2 0 328.478 1.493 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418280673 446483619 /nfs/dbraw/zinc/48/36/19/446483619.db2.gz SGJJKYSFNTYLBQ-UHFFFAOYSA-N 2 0 347.507 1.055 20 0 EDADRP FC(F)(F)COCCCN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000420322244 446487749 /nfs/dbraw/zinc/48/77/49/446487749.db2.gz SGMFOYYWFOJOSA-OAHLLOKOSA-N 2 0 337.430 1.963 20 0 EDADRP C[C@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324185 446489169 /nfs/dbraw/zinc/48/91/69/446489169.db2.gz GXLBFXXVWMJRLH-AEFFLSMTSA-N 2 0 345.487 1.421 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420326651 446493713 /nfs/dbraw/zinc/49/37/13/446493713.db2.gz KCTGLVBCRUFPKA-MJGOQNOKSA-N 2 0 347.459 1.140 20 0 EDADRP COCc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420331607 446501343 /nfs/dbraw/zinc/50/13/43/446501343.db2.gz RAULGZJDUAUDLC-MOPGFXCFSA-N 2 0 345.487 1.771 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc2ccccc2c1=O ZINC000420333117 446502333 /nfs/dbraw/zinc/50/23/33/446502333.db2.gz SLAUWRGQKPOKGS-HUUCEWRRSA-N 2 0 326.444 1.755 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)C1 ZINC000418332936 446504255 /nfs/dbraw/zinc/50/42/55/446504255.db2.gz DRRQEXBEUOTYJJ-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418343801 446508665 /nfs/dbraw/zinc/50/86/65/446508665.db2.gz JZFKEAKTMGGWHC-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP COC(=O)c1oc(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)cc1C ZINC000367107839 446509748 /nfs/dbraw/zinc/50/97/48/446509748.db2.gz BGQYQJVYOVBGHN-MRXNPFEDSA-N 2 0 349.475 1.834 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@@H]1CCC[NH2+]C1 ZINC000418354483 446512185 /nfs/dbraw/zinc/51/21/85/446512185.db2.gz WKKOYHRPFSWCBC-JYKMILSKSA-N 2 0 334.508 1.827 20 0 EDADRP CC[C@H]1CN(C(=O)c2ccccc2CC[NH2+]C)CC[N@@H+]1C[C@@H](C)O ZINC000423383532 446512611 /nfs/dbraw/zinc/51/26/11/446512611.db2.gz JMHLFAAMQWPGJJ-WBVHZDCISA-N 2 0 333.476 1.366 20 0 EDADRP COC(=O)c1ccc(F)c(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420343645 446514888 /nfs/dbraw/zinc/51/48/88/446514888.db2.gz WZWJYYACKFDBJW-SJORKVTESA-N 2 0 336.407 1.941 20 0 EDADRP Cc1csc2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc(=O)n12 ZINC000420343372 446515476 /nfs/dbraw/zinc/51/54/76/446515476.db2.gz QVMMYGWBFAFWHS-ZIAGYGMSSA-N 2 0 332.473 1.886 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000376468296 446515589 /nfs/dbraw/zinc/51/55/89/446515589.db2.gz JWQRBWQUCSIGAE-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[NH+]3CCC2CC3)ccc1F ZINC000367068239 446500875 /nfs/dbraw/zinc/50/08/75/446500875.db2.gz QBHAIEWRYBPVQF-UHFFFAOYSA-N 2 0 334.439 1.877 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423403589 446519240 /nfs/dbraw/zinc/51/92/40/446519240.db2.gz YPOCYBPFNJTGFI-SJORKVTESA-N 2 0 333.476 1.940 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000418377218 446520716 /nfs/dbraw/zinc/52/07/16/446520716.db2.gz VBXWCNITTMZQQA-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000433144335 446537026 /nfs/dbraw/zinc/53/70/26/446537026.db2.gz LYQCZSHCZKDKKY-SOLBZPMBSA-N 2 0 339.524 1.955 20 0 EDADRP Cc1noc([C@H]2CCCN(C(=O)CCC[NH+]3CCC([NH3+])CC3)C2)n1 ZINC000433151808 446538477 /nfs/dbraw/zinc/53/84/77/446538477.db2.gz OVXIERXOAPLJNP-AWEZNQCLSA-N 2 0 335.452 1.287 20 0 EDADRP Cc1ccncc1CCC[N@H+]1CC[C@H](N(C)Cc2nccc(N)n2)C1 ZINC000367370926 446540083 /nfs/dbraw/zinc/54/00/83/446540083.db2.gz NIRWMYICHCDQAZ-KRWDZBQOSA-N 2 0 340.475 1.901 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000418434188 446542410 /nfs/dbraw/zinc/54/24/10/446542410.db2.gz DWUVAZPNZYSXPH-LSDHHAIUSA-N 2 0 326.485 1.255 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420376056 446552986 /nfs/dbraw/zinc/55/29/86/446552986.db2.gz JLYHQDWZPRUYDY-NUEKZKHPSA-N 2 0 325.497 1.898 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CO2 ZINC000423505230 446556529 /nfs/dbraw/zinc/55/65/29/446556529.db2.gz GSSZIHDQDIUYLC-LXPRWKDFSA-N 2 0 345.487 1.805 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000420379600 446557318 /nfs/dbraw/zinc/55/73/18/446557318.db2.gz XRONQGLLEXSQSS-RTBURBONSA-N 2 0 346.519 1.903 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418607027 446612982 /nfs/dbraw/zinc/61/29/82/446612982.db2.gz ZXHHTWSRYVRYJD-PBHICJAKSA-N 2 0 336.455 1.897 20 0 EDADRP C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453712078 446614861 /nfs/dbraw/zinc/61/48/61/446614861.db2.gz MLOHPKXAVXMGCP-DYVFJYSZSA-N 2 0 344.459 1.337 20 0 EDADRP CN1CC[NH+](C[C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000367979706 446615685 /nfs/dbraw/zinc/61/56/85/446615685.db2.gz ZDSISXZVFVUWEN-KRWDZBQOSA-N 2 0 334.508 1.101 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420394479 446569165 /nfs/dbraw/zinc/56/91/65/446569165.db2.gz RSHRJEVNUSHBOS-NXNVCVFFSA-N 2 0 325.497 1.898 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN[C@@H](CO)c2ccc(F)cc2)CC1 ZINC000411506895 446576046 /nfs/dbraw/zinc/57/60/46/446576046.db2.gz PONXNKKWFPAUFF-KRWDZBQOSA-N 2 0 337.439 1.438 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1C ZINC000433465001 446577210 /nfs/dbraw/zinc/57/72/10/446577210.db2.gz FGDTVOXWZHHOJG-BRWVUGGUSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1cccc(OCCCNC(=O)CN2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000420414108 446587679 /nfs/dbraw/zinc/58/76/79/446587679.db2.gz UJHDDGKWXIIFEX-SJORKVTESA-N 2 0 333.476 1.797 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)CC3(C[NH3+])CCCCC3)C2)CC1 ZINC000375124212 446594296 /nfs/dbraw/zinc/59/42/96/446594296.db2.gz KAIZTXVDYNIOTN-MRXNPFEDSA-N 2 0 336.524 1.570 20 0 EDADRP Cn1cc(C(=O)NCCC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000371086687 446619379 /nfs/dbraw/zinc/61/93/79/446619379.db2.gz AFIJKJFSKDJTEH-UHFFFAOYSA-N 2 0 333.480 1.346 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418592075 446606469 /nfs/dbraw/zinc/60/64/69/446606469.db2.gz OHJKGQCCTAQFLV-WBVHZDCISA-N 2 0 333.480 1.543 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+](C2CCC2)C1 ZINC000418658134 446637093 /nfs/dbraw/zinc/63/70/93/446637093.db2.gz JCIZLCFYHSJAPR-JCGIZDLHSA-N 2 0 334.508 1.890 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418661918 446639058 /nfs/dbraw/zinc/63/90/58/446639058.db2.gz RJFXCCNERCHFPK-DLBZAZTESA-N 2 0 340.512 1.374 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670913 446642951 /nfs/dbraw/zinc/64/29/51/446642951.db2.gz LSYFVQZUCYYXJQ-INDMIFKZSA-N 2 0 342.487 1.758 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671617 446643422 /nfs/dbraw/zinc/64/34/22/446643422.db2.gz MPLIGHLSBAIVGA-BDXSIMOUSA-N 2 0 328.460 1.368 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418751840 446671598 /nfs/dbraw/zinc/67/15/98/446671598.db2.gz RZIUOLRBAKZKQX-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CC[C@@H](C(=O)NC[C@@]1(COC)CCC[NH2+]1)[N@H+](C)Cc1ccccc1 ZINC000423640559 446621803 /nfs/dbraw/zinc/62/18/03/446621803.db2.gz VXCXYLMEMHMBLS-PKOBYXMFSA-N 2 0 333.476 1.782 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](CC2CC2)CC1 ZINC000418630280 446622893 /nfs/dbraw/zinc/62/28/93/446622893.db2.gz FICOCGSTVBFOMW-GOSISDBHSA-N 2 0 328.460 1.611 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000418630117 446623919 /nfs/dbraw/zinc/62/39/19/446623919.db2.gz RNJJIKKWEIRBIA-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP Cc1c(C)c(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c(C)c1C ZINC000420449302 446625861 /nfs/dbraw/zinc/62/58/61/446625861.db2.gz FZMWHVJHXXRZRR-UHFFFAOYSA-N 2 0 341.521 1.917 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000420454338 446631246 /nfs/dbraw/zinc/63/12/46/446631246.db2.gz LABASJPPKLKQHS-UHFFFAOYSA-N 2 0 339.383 1.394 20 0 EDADRP COCC[C@@]1(C(=O)N(C)CC[N@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000423755444 446685933 /nfs/dbraw/zinc/68/59/33/446685933.db2.gz FELYEZXHVJDPEX-SFHVURJKSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1CN(C(=O)/C=C/c2cncs2)CCN1C1CC[NH+](C)CC1 ZINC000376752531 446697620 /nfs/dbraw/zinc/69/76/20/446697620.db2.gz LIRBAMNCNOFINL-RDFMZFSFSA-N 2 0 334.489 1.783 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2C[NH2+]CCCO2)o1 ZINC000418795449 446707053 /nfs/dbraw/zinc/70/70/53/446707053.db2.gz RZIQGJDSMRVGBD-MRXNPFEDSA-N 2 0 338.452 1.040 20 0 EDADRP Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)C1C[NH2+]C1 ZINC000368163522 446679583 /nfs/dbraw/zinc/67/95/83/446679583.db2.gz ASQFXUTWRDZRDS-KRWDZBQOSA-N 2 0 339.443 1.796 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000423752323 446682530 /nfs/dbraw/zinc/68/25/30/446682530.db2.gz ZVZBTFBKXMTVFX-SFHVURJKSA-N 2 0 343.475 1.791 20 0 EDADRP COC[C@H](Cc1ccccc1)N(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423894996 446748687 /nfs/dbraw/zinc/74/86/87/446748687.db2.gz BKKJDJKGPUGPOY-IBGZPJMESA-N 2 0 347.503 1.906 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3[C@@H]3CCC[NH2+]C3)CC[C@H]21 ZINC000423914457 446763847 /nfs/dbraw/zinc/76/38/47/446763847.db2.gz XXEWJPJOOIYHES-IIAWOOMASA-N 2 0 331.464 1.433 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000418875154 446765698 /nfs/dbraw/zinc/76/56/98/446765698.db2.gz VVIUDENQLIXXPW-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)CC1 ZINC000368332410 446791358 /nfs/dbraw/zinc/79/13/58/446791358.db2.gz NQERZROOVDHYRN-QGZVFWFLSA-N 2 0 341.540 1.512 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000368389962 446831982 /nfs/dbraw/zinc/83/19/82/446831982.db2.gz LCFUVSOCMMHFRM-SFHVURJKSA-N 2 0 335.448 1.292 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000424457606 446876282 /nfs/dbraw/zinc/87/62/82/446876282.db2.gz RTTYZTVIVRXFDP-DOTOQJQBSA-N 2 0 344.459 1.335 20 0 EDADRP C[C@@H](CNC(=O)N(C)[C@@H]1CCN2CCO[C@H]1C2)[N@@H+]1CCC[C@@H](C)C1 ZINC000454519537 446897700 /nfs/dbraw/zinc/89/77/00/446897700.db2.gz WOPXXYSNYWISCF-TWMKSMIVSA-N 2 0 338.496 1.221 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419076987 446907289 /nfs/dbraw/zinc/90/72/89/446907289.db2.gz ILDRRWCWPYITCB-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000377082386 446909382 /nfs/dbraw/zinc/90/93/82/446909382.db2.gz NDEBVHBVUVCDHU-ZHALLVOQSA-N 2 0 336.524 1.645 20 0 EDADRP [NH2+]=C(NO)[C@@H]1CCCCN1C/C=C/CN1CCCC[C@H]1C(=[NH2+])NO ZINC000368525538 446921992 /nfs/dbraw/zinc/92/19/92/446921992.db2.gz PGCWCIWTCXNDFT-BEVHLOIGSA-N 2 0 338.456 1.164 20 0 EDADRP CN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1CCC[NH2+]CC1 ZINC000419140110 446951231 /nfs/dbraw/zinc/95/12/31/446951231.db2.gz VOPRJENYVVAWND-GJZGRUSLSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000368597794 446969720 /nfs/dbraw/zinc/96/97/20/446969720.db2.gz YFTGWLRUBQJHCP-RZFLPCETSA-N 2 0 337.508 1.673 20 0 EDADRP C[NH+](C)C1(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)Cc2ccccc2C1 ZINC000372110435 447006831 /nfs/dbraw/zinc/00/68/31/447006831.db2.gz DKPIZAOOQVOZKC-GOSISDBHSA-N 2 0 345.487 1.049 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000419157243 446973564 /nfs/dbraw/zinc/97/35/64/446973564.db2.gz WEMOINVPUCYBPW-RHSMWYFYSA-N 2 0 348.491 1.382 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C[C@H]1C ZINC000442880341 446988585 /nfs/dbraw/zinc/98/85/85/446988585.db2.gz YKHXRFANNYGJBS-IXDOHACOSA-N 2 0 339.524 1.970 20 0 EDADRP COc1ccc(CNC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443058085 446999694 /nfs/dbraw/zinc/99/96/94/446999694.db2.gz JCLFUHJHXAVQDX-AWEZNQCLSA-N 2 0 335.448 1.381 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCO[C@H](c3ccc(F)cc3)C2)C1 ZINC000443058950 447000192 /nfs/dbraw/zinc/00/01/92/447000192.db2.gz OUEQMBMFGHUNQB-QAPCUYQASA-N 2 0 349.450 1.786 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000377310937 447056805 /nfs/dbraw/zinc/05/68/05/447056805.db2.gz NFFWRIFDOHCOBY-UHFFFAOYSA-N 2 0 347.463 1.012 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000413199523 447064555 /nfs/dbraw/zinc/06/45/55/447064555.db2.gz RIUBVYVFZSLKKB-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375759056 447027288 /nfs/dbraw/zinc/02/72/88/447027288.db2.gz PZHYFIYLXODITM-SJPCQFCGSA-N 2 0 344.459 1.671 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)C[C@H]2CCC[N@@H+]2C)ccc1C[NH+](C)C ZINC000421298022 447110980 /nfs/dbraw/zinc/11/09/80/447110980.db2.gz FPWOHNFLUJIBHD-QGZVFWFLSA-N 2 0 346.475 1.548 20 0 EDADRP CCOCC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000444675095 447117949 /nfs/dbraw/zinc/11/79/49/447117949.db2.gz QQCRQICGDUPTCC-GOSISDBHSA-N 2 0 328.497 1.598 20 0 EDADRP NS(=O)(=O)CCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377336330 447073075 /nfs/dbraw/zinc/07/30/75/447073075.db2.gz KEAGSRIGFXIXBR-SJORKVTESA-N 2 0 337.489 1.119 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000444173165 447086972 /nfs/dbraw/zinc/08/69/72/447086972.db2.gz CACJVCWMTVYKDW-PKOBYXMFSA-N 2 0 329.444 1.581 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC1(C)C ZINC000419322333 447087395 /nfs/dbraw/zinc/08/73/95/447087395.db2.gz SFEHTCSYIVWLTG-BBWFWOEESA-N 2 0 339.524 1.874 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410114 447158526 /nfs/dbraw/zinc/15/85/26/447158526.db2.gz OFJMSZWUWPXTFW-CABCVRRESA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000375937109 447161338 /nfs/dbraw/zinc/16/13/38/447161338.db2.gz DMDSFAMSHPCJFS-RVKKMQEKSA-N 2 0 330.476 1.796 20 0 EDADRP [NH3+][C@H]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000368817655 447130137 /nfs/dbraw/zinc/13/01/37/447130137.db2.gz NSZVJOJPZFANBL-MHORFTMASA-N 2 0 329.444 1.368 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375967454 447179447 /nfs/dbraw/zinc/17/94/47/447179447.db2.gz CEPHBEFNGRPJOH-KBXCAEBGSA-N 2 0 337.414 1.855 20 0 EDADRP CCN(CC)C(=O)CCC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000445988645 447212586 /nfs/dbraw/zinc/21/25/86/447212586.db2.gz BBHXSBOHFPPEED-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000419428623 447169221 /nfs/dbraw/zinc/16/92/21/447169221.db2.gz ATLVZKVXXGCGPO-TWMKSMIVSA-N 2 0 340.512 1.203 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)C1 ZINC000413816782 447255991 /nfs/dbraw/zinc/25/59/91/447255991.db2.gz JWXZOPSEUKBRMY-HNNXBMFYSA-N 2 0 334.464 1.980 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000446053508 447221624 /nfs/dbraw/zinc/22/16/24/447221624.db2.gz PGXRWQQSWBBTQW-QGZVFWFLSA-N 2 0 346.475 1.186 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000377581861 447221629 /nfs/dbraw/zinc/22/16/29/447221629.db2.gz NNMKFLACFTXHAS-MUIFIZLQSA-N 2 0 333.480 1.307 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CCC[N@@H+]1C ZINC000419544425 447255797 /nfs/dbraw/zinc/25/57/97/447255797.db2.gz HRIBTCTXVCACIF-GDBMZVCRSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@H]([NH2+][C@H]1CCc2nnnn2CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000421882970 447267068 /nfs/dbraw/zinc/26/70/68/447267068.db2.gz SHKPHIHSCAPNTG-HOCLYGCPSA-N 2 0 344.463 1.669 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458719767 447459536 /nfs/dbraw/zinc/45/95/36/447459536.db2.gz BAEOZMBHQYHAGM-GTPINHCMSA-N 2 0 338.496 1.149 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000495367008 447495099 /nfs/dbraw/zinc/49/50/99/447495099.db2.gz LYACYDIBPJVSAA-RBSFLKMASA-N 2 0 327.469 1.479 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000422354119 447497788 /nfs/dbraw/zinc/49/77/88/447497788.db2.gz HMSCLQQSNJYVFE-GJZGRUSLSA-N 2 0 340.512 1.020 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1=CCOCC1 ZINC000458936203 447508704 /nfs/dbraw/zinc/50/87/04/447508704.db2.gz GYQYNZJEVQDSDP-UHFFFAOYSA-N 2 0 326.485 1.248 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000400924833 447574593 /nfs/dbraw/zinc/57/45/93/447574593.db2.gz HAXWVQYSOIPAIV-PWRODBHTSA-N 3 0 342.531 1.782 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000427305194 447578282 /nfs/dbraw/zinc/57/82/82/447578282.db2.gz RBZHNJPARCEPKS-ZBFHGGJFSA-N 2 0 344.459 1.322 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000416211862 447540895 /nfs/dbraw/zinc/54/08/95/447540895.db2.gz XATYTHPCWWVSLK-SJORKVTESA-N 2 0 345.487 1.348 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000420080341 447589832 /nfs/dbraw/zinc/58/98/32/447589832.db2.gz KNYRPTVZVRQROZ-HNNXBMFYSA-N 2 0 338.496 1.097 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000420080582 447589973 /nfs/dbraw/zinc/58/99/73/447589973.db2.gz LANYUBWKXWKPGT-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000450733782 447560647 /nfs/dbraw/zinc/56/06/47/447560647.db2.gz SCPCUTHOMHDUMH-DLBZAZTESA-N 2 0 347.503 1.682 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCCCC[NH3+])[NH+](C)C)cc1OC ZINC000416817378 447691435 /nfs/dbraw/zinc/69/14/35/447691435.db2.gz JVFILULMQQCHAY-AWEZNQCLSA-N 2 0 338.452 1.345 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H](C)C[C@H]2C[NH3+])C1 ZINC000416868647 447699623 /nfs/dbraw/zinc/69/96/23/447699623.db2.gz MBLPVCSRRRRDAP-HRCADAONSA-N 2 0 326.485 1.112 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000416871150 447700761 /nfs/dbraw/zinc/70/07/61/447700761.db2.gz PCNTXINMSJZWOJ-KRWDZBQOSA-N 2 0 340.512 1.374 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000422636402 447682264 /nfs/dbraw/zinc/68/22/64/447682264.db2.gz NCRRRNLLYVIGJP-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCCO[C@@H](C[NH3+])C1)CC(C)C ZINC000416955305 447725612 /nfs/dbraw/zinc/72/56/12/447725612.db2.gz MEMMKUVZUBYHEV-HOTGVXAUSA-N 2 0 328.501 1.502 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422715828 447725833 /nfs/dbraw/zinc/72/58/33/447725833.db2.gz MTTNYHKFQZQWFS-ZWKOTPCHSA-N 3 0 346.523 1.486 20 0 EDADRP [NH3+]C1CCC([NH2+]Cc2cccc(OCCN3CCOCC3)c2)CC1 ZINC000422718565 447727380 /nfs/dbraw/zinc/72/73/80/447727380.db2.gz LGGOKSQUKAGPSZ-UHFFFAOYSA-N 2 0 333.476 1.757 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(NC(=O)Cn2cccn2)c1)[C@H]1CC[NH2+]C1 ZINC000422735162 447733096 /nfs/dbraw/zinc/73/30/96/447733096.db2.gz VQHSGGVXLIHDKO-HOCLYGCPSA-N 2 0 327.432 1.609 20 0 EDADRP [NH3+]C1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000422750936 447738628 /nfs/dbraw/zinc/73/86/28/447738628.db2.gz AQPPZZCYXTUEJB-UHFFFAOYSA-N 2 0 331.869 1.478 20 0 EDADRP CC[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]1 ZINC000422839852 447765288 /nfs/dbraw/zinc/76/52/88/447765288.db2.gz RORCLRDZMIGSOA-IRXDYDNUSA-N 3 0 338.540 1.733 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)CN2CCCCC2)CC[NH2+]CC1 ZINC000422839356 447765303 /nfs/dbraw/zinc/76/53/03/447765303.db2.gz ZZADYKJVFXBQSY-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+][C@@H](CC1CCCCC1)C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000422776376 447747465 /nfs/dbraw/zinc/74/74/65/447747465.db2.gz DJXHWRJCLJUUKS-INIZCTEOSA-N 2 0 331.464 1.727 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(C)o1)N1CCOCC1 ZINC000422799520 447753546 /nfs/dbraw/zinc/75/35/46/447753546.db2.gz XCTQZYYGUPWJAZ-HZPDHXFCSA-N 2 0 325.453 1.305 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422828947 447762868 /nfs/dbraw/zinc/76/28/68/447762868.db2.gz OZWIXKPHBXBSSV-CABCVRRESA-N 2 0 336.480 1.609 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422915045 447771168 /nfs/dbraw/zinc/77/11/68/447771168.db2.gz WVXQONWCDZONCJ-UHFFFAOYSA-N 3 0 332.492 1.585 20 0 EDADRP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@]1(N2CCOCC2)CCSC1 ZINC000422900883 447771442 /nfs/dbraw/zinc/77/14/42/447771442.db2.gz KFPQILYJXWGWGJ-XSLAGTTESA-N 2 0 339.549 1.705 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422947119 447777626 /nfs/dbraw/zinc/77/76/26/447777626.db2.gz PSZADSYLVOKFCW-SJORKVTESA-N 2 0 337.489 1.557 20 0 EDADRP Cc1ccccc1CCNC(=O)[C@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430591993 447781431 /nfs/dbraw/zinc/78/14/31/447781431.db2.gz LKPLDDWYCZDYCN-KRWDZBQOSA-N 2 0 347.503 1.872 20 0 EDADRP COc1cc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc(OC)c1 ZINC000431020565 447789846 /nfs/dbraw/zinc/78/98/46/447789846.db2.gz BMOMHSHYLZSSHV-UHFFFAOYSA-N 2 0 333.432 1.718 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000423022048 447792071 /nfs/dbraw/zinc/79/20/71/447792071.db2.gz GWPYTBWECDPLLD-VXGBXAGGSA-N 2 0 343.830 1.928 20 0 EDADRP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@@H]1CCCC[NH2+]1 ZINC000423113946 447807746 /nfs/dbraw/zinc/80/77/46/447807746.db2.gz VALLVYCLUMXYHP-FVAVCCDCSA-N 3 0 336.524 1.580 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000487404765 447831909 /nfs/dbraw/zinc/83/19/09/447831909.db2.gz IHWRWDRCBBMKJJ-IMFGXOCKSA-N 2 0 345.487 1.280 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496622633 447835151 /nfs/dbraw/zinc/83/51/51/447835151.db2.gz JXOAETMEDNPGIR-ZDUSSCGKSA-N 2 0 327.473 1.357 20 0 EDADRP Cc1nc(NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)nc(N(C)C)n1 ZINC000488373372 447845725 /nfs/dbraw/zinc/84/57/25/447845725.db2.gz XFJDNSWKDOJYAT-CYBMUJFWSA-N 2 0 326.448 2.105 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000523320772 447878888 /nfs/dbraw/zinc/87/88/88/447878888.db2.gz YZNOLGYUPHAUKV-ROUUACIJSA-N 2 0 345.491 1.782 20 0 EDADRP CCOc1ccc(CN2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000575752683 447890564 /nfs/dbraw/zinc/89/05/64/447890564.db2.gz OIKHJFOYIBDCHZ-UHFFFAOYSA-N 2 0 332.492 1.108 20 0 EDADRP CC(C)[C@H]1CN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)CC[N@@H+]1C ZINC000497159328 447905661 /nfs/dbraw/zinc/90/56/61/447905661.db2.gz JANAGPJQJODBFP-AEFFLSMTSA-N 2 0 336.480 1.133 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000575984926 447943006 /nfs/dbraw/zinc/94/30/06/447943006.db2.gz QDEQYPKSUTURBM-MRXNPFEDSA-N 2 0 347.507 1.474 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]CCCNC(=O)OC(C)(C)C)CC1 ZINC000497194879 447945913 /nfs/dbraw/zinc/94/59/13/447945913.db2.gz RPJBOKFQRJHIRN-OAHLLOKOSA-N 2 0 329.485 1.584 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@H]1CCC[NH2+]1)NC1CC[NH+](C2CC2)CC1 ZINC000575991962 447946917 /nfs/dbraw/zinc/94/69/17/447946917.db2.gz JXMIDGMLIZCGDG-QZTJIDSGSA-N 2 0 334.508 1.336 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576000518 447947578 /nfs/dbraw/zinc/94/75/78/447947578.db2.gz CQFQIXUPBJREHN-UHFFFAOYSA-N 2 0 343.475 1.649 20 0 EDADRP O=C(N1CC[NH+](CC2CC2)CC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000524395203 447927657 /nfs/dbraw/zinc/92/76/57/447927657.db2.gz PYWDBIRRHJDLNB-HXUWFJFHSA-N 2 0 343.471 1.178 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1)[NH+]1CC(C)C1 ZINC000553222790 447979436 /nfs/dbraw/zinc/97/94/36/447979436.db2.gz IYRGFRURKAAXBE-QAPCUYQASA-N 2 0 331.460 1.210 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000570428570 448011865 /nfs/dbraw/zinc/01/18/65/448011865.db2.gz CCSINDIKAQBVRU-RBUKOAKNSA-N 2 0 344.503 1.931 20 0 EDADRP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570502648 448028158 /nfs/dbraw/zinc/02/81/58/448028158.db2.gz IBZOJDGNKLDGNH-SJLPKXTDSA-N 2 0 346.475 1.392 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000576338046 448030330 /nfs/dbraw/zinc/03/03/30/448030330.db2.gz GATIICQYGOLQRG-KFWWJZLASA-N 2 0 331.460 1.634 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000491459492 448033127 /nfs/dbraw/zinc/03/31/27/448033127.db2.gz RKXQYRWRTPZGLY-UHFFFAOYSA-N 2 0 348.495 2.144 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000531255173 448047739 /nfs/dbraw/zinc/04/77/39/448047739.db2.gz SQWFXWXWYBHKPZ-QGZVFWFLSA-N 2 0 345.553 1.710 20 0 EDADRP CC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531291385 448054804 /nfs/dbraw/zinc/05/48/04/448054804.db2.gz BPRMUCKPORHRPU-IBGZPJMESA-N 2 0 331.460 1.224 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC000576515694 448072002 /nfs/dbraw/zinc/07/20/02/448072002.db2.gz QWENOQOFKHRSKO-GOSISDBHSA-N 2 0 346.475 1.399 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000526041168 448085538 /nfs/dbraw/zinc/08/55/38/448085538.db2.gz WJPGDEUNZUZNED-HUUCEWRRSA-N 2 0 339.505 1.943 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000525952918 448065526 /nfs/dbraw/zinc/06/55/26/448065526.db2.gz ZXVMCSFHCGFUJN-LMWSTFAQSA-N 2 0 333.398 1.860 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)NC[C@@H]1C[NH2+]CCCO1 ZINC000571184416 448121510 /nfs/dbraw/zinc/12/15/10/448121510.db2.gz YFYSKNPDVKKYGC-ROUUACIJSA-N 2 0 346.475 1.329 20 0 EDADRP Cc1ccc(C[N@@H+]2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)c(-c2ccnn2C)c1 ZINC000576767666 448135963 /nfs/dbraw/zinc/13/59/63/448135963.db2.gz DJDUSINWGUKFIW-RDJZCZTQSA-N 2 0 339.443 1.139 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(OC3CCCC3)cc2)CC1 ZINC000571396884 448145998 /nfs/dbraw/zinc/14/59/98/448145998.db2.gz PUGNXLLLBGXOFZ-SFHVURJKSA-N 2 0 347.503 1.706 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cn2)CC1 ZINC000571431420 448153899 /nfs/dbraw/zinc/15/38/99/448153899.db2.gz BZGAJQREUHAXIQ-CGTJXYLNSA-N 3 0 347.507 1.065 20 0 EDADRP CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000576922849 448170525 /nfs/dbraw/zinc/17/05/25/448170525.db2.gz QLYVWBLCXISBOX-KRWDZBQOSA-N 2 0 346.475 1.548 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2c2cnn(C)c2)CC1 ZINC000514780683 448201576 /nfs/dbraw/zinc/20/15/76/448201576.db2.gz IUJVEBUMNQRQEY-SFHVURJKSA-N 2 0 347.507 1.936 20 0 EDADRP C[C@H](O)[C@H]1CCN(c2cc(N(C)CC3([NH+](C)C)CCC3)ncn2)C1 ZINC000514781186 448202138 /nfs/dbraw/zinc/20/21/38/448202138.db2.gz UKTCFYBIUOCAFS-GJZGRUSLSA-N 2 0 333.480 1.604 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000571897541 448231735 /nfs/dbraw/zinc/23/17/35/448231735.db2.gz PMUNCNXIECCYDM-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000532348308 448242347 /nfs/dbraw/zinc/24/23/47/448242347.db2.gz MKCBHBOELUYAOD-SJLPKXTDSA-N 2 0 349.523 1.033 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000515113779 448261045 /nfs/dbraw/zinc/26/10/45/448261045.db2.gz DTRMUNFOFZSUTB-XLIONFOSSA-N 2 0 347.503 1.860 20 0 EDADRP O=C(C[NH2+][C@H]1CCSc2ccc(Cl)cc21)N1CC[NH2+]CC1 ZINC000572026454 448265567 /nfs/dbraw/zinc/26/55/67/448265567.db2.gz GZNXKGHTIUNGTH-ZDUSSCGKSA-N 2 0 325.865 1.898 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCN2C)C1 ZINC000577485534 448309458 /nfs/dbraw/zinc/30/94/58/448309458.db2.gz JEYHEBZJKGENDQ-JKSUJKDBSA-N 2 0 339.528 1.090 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC[NH2+]1 ZINC000515460790 448315381 /nfs/dbraw/zinc/31/53/81/448315381.db2.gz HZKHDFRYQQYKIN-OAHLLOKOSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000515485791 448319571 /nfs/dbraw/zinc/31/95/71/448319571.db2.gz ADTYVIGOCXMOLY-QAPCUYQASA-N 2 0 330.476 1.761 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)CC[NH2+]C1 ZINC000582604447 448288375 /nfs/dbraw/zinc/28/83/75/448288375.db2.gz GEQYLXLSCVCCGL-DNVCBOLYSA-N 2 0 346.475 1.349 20 0 EDADRP Cn1c2ccccc2nc1CC[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000572368003 448359467 /nfs/dbraw/zinc/35/94/67/448359467.db2.gz QHOCDWRMYIWUGA-HNNXBMFYSA-N 2 0 339.447 1.503 20 0 EDADRP c1cc2ccc(C[NH2+][C@H]3CCN(CCN4CCOCC4)C3)cc2[nH]1 ZINC000527660263 448333120 /nfs/dbraw/zinc/33/31/20/448333120.db2.gz FPACIVKFDSLCTL-SFHVURJKSA-N 2 0 328.460 1.664 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2ccc(CO)cc2)CC[NH2+]CC1 ZINC000591573563 448393548 /nfs/dbraw/zinc/39/35/48/448393548.db2.gz BEFMAWKELMIGDH-OAHLLOKOSA-N 2 0 334.460 1.632 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000577831574 448395934 /nfs/dbraw/zinc/39/59/34/448395934.db2.gz CMVDDJMOAAPMOP-RYRKJORJSA-N 2 0 330.476 1.806 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2ccn(CC[NH+](C)C)n2)c1 ZINC000566438501 448470141 /nfs/dbraw/zinc/47/01/41/448470141.db2.gz PRYWSDBODVVKAU-UHFFFAOYSA-N 2 0 345.447 1.637 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000577998755 448433612 /nfs/dbraw/zinc/43/36/12/448433612.db2.gz VDZKJJBHCIULMS-JFIYKMOQSA-N 2 0 348.466 1.945 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1 ZINC000516617287 448448197 /nfs/dbraw/zinc/44/81/97/448448197.db2.gz BWZMPLQMTVVLDC-DLBZAZTESA-N 2 0 336.455 1.816 20 0 EDADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000591759459 448484181 /nfs/dbraw/zinc/48/41/81/448484181.db2.gz RFRCYZRKNCKKDG-YESZJQIVSA-N 2 0 344.459 1.462 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584398068 448509513 /nfs/dbraw/zinc/50/95/13/448509513.db2.gz RWGOEEVSFQYBSO-AWEZNQCLSA-N 2 0 344.459 1.261 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@H]3C[NH2+]CC[C@H]3C)c2)CC1 ZINC000578331569 448519174 /nfs/dbraw/zinc/51/91/74/448519174.db2.gz CBXOHFRJMDLQGU-QAPCUYQASA-N 2 0 345.491 1.948 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000578532996 448574271 /nfs/dbraw/zinc/57/42/71/448574271.db2.gz OEVKRNZNYZEZMN-LJISPDSOSA-N 2 0 340.512 1.101 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000584468140 448537688 /nfs/dbraw/zinc/53/76/88/448537688.db2.gz AZEPRONDVYAIGY-HUUCEWRRSA-N 2 0 336.480 1.942 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000567049754 448604978 /nfs/dbraw/zinc/60/49/78/448604978.db2.gz OOSZOJWYOZJZBY-XYJFISCASA-N 2 0 347.507 1.794 20 0 EDADRP Cc1cc(CNC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)cc(C)n1 ZINC000567101602 448612775 /nfs/dbraw/zinc/61/27/75/448612775.db2.gz DEQRWQLVSYLGRO-UHFFFAOYSA-N 2 0 342.447 2.483 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000566904482 448581422 /nfs/dbraw/zinc/58/14/22/448581422.db2.gz BPFMPIGARHYNRI-XYVMCAHJSA-N 2 0 330.476 1.947 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2C[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000584616789 448584622 /nfs/dbraw/zinc/58/46/22/448584622.db2.gz LPYKAAKVVXEHBY-KSZLIROESA-N 2 0 330.476 1.219 20 0 EDADRP CC1(C)CCC[NH2+][C@@H]1CNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000573308909 448592832 /nfs/dbraw/zinc/59/28/32/448592832.db2.gz ROXBZMBITCXPAV-GVDBMIGSSA-N 2 0 330.476 1.901 20 0 EDADRP CCCn1cc(CN2CCCN(C(=O)CC(F)(F)CN)CC2)cn1 ZINC000517580630 448596041 /nfs/dbraw/zinc/59/60/41/448596041.db2.gz AENQWYMCVJYCHX-UHFFFAOYSA-N 2 0 343.422 1.312 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000517585925 448597484 /nfs/dbraw/zinc/59/74/84/448597484.db2.gz XQYARXBBIZKLMU-LNLFQRSKSA-N 2 0 345.487 1.422 20 0 EDADRP C[C@@H](NC(=O)Nc1ccc2c(c1)OCC[NH2+]C2)C1=CC[N@H+](C)CC1 ZINC000528716588 448643191 /nfs/dbraw/zinc/64/31/91/448643191.db2.gz ZFZHLVRKOOIEKH-CYBMUJFWSA-N 2 0 330.432 1.941 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000567232887 448644967 /nfs/dbraw/zinc/64/49/67/448644967.db2.gz OPBXWYDYQCJWHB-GOSISDBHSA-N 2 0 332.492 1.385 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000579005159 448693901 /nfs/dbraw/zinc/69/39/01/448693901.db2.gz FYWBXQXKSHECEK-BZSNNMDCSA-N 2 0 331.460 1.301 20 0 EDADRP CCOCCO[C@H](C)C(=O)Nc1c[nH+]ccc1N1CCN(C)CC1 ZINC000518918474 448721108 /nfs/dbraw/zinc/72/11/08/448721108.db2.gz DXOANDYZJQCTOU-CQSZACIVSA-N 2 0 336.436 1.214 20 0 EDADRP Cc1cncn1CC(=O)N1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000528796584 448682696 /nfs/dbraw/zinc/68/26/96/448682696.db2.gz JRYZJJUPEYSUNV-CALCHBBNSA-N 2 0 348.491 1.929 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@H]1COCC[NH2+]1 ZINC000529302769 448813482 /nfs/dbraw/zinc/81/34/82/448813482.db2.gz ZUKQDZLYYOTNAU-MSOLQXFVSA-N 2 0 346.475 1.186 20 0 EDADRP Cn1cnc(CCNC(=O)N2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000567854144 448774061 /nfs/dbraw/zinc/77/40/61/448774061.db2.gz DGRUSGXWUPBGOJ-QGZVFWFLSA-N 2 0 327.432 1.661 20 0 EDADRP C[NH+](C)CC1(NC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CCC1 ZINC000545283883 448784521 /nfs/dbraw/zinc/78/45/21/448784521.db2.gz XIABPOKMRJSXOV-KRWDZBQOSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H](C[NH3+])C3CCCCC3)n2)CC1 ZINC000579449553 448795022 /nfs/dbraw/zinc/79/50/22/448795022.db2.gz GSGUFPQBEZYOEW-MRXNPFEDSA-N 2 0 348.495 2.179 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NC[C@]3(O)CC[N@H+](C)C3)ccc21 ZINC000579560069 448819903 /nfs/dbraw/zinc/81/99/03/448819903.db2.gz GMPLLTOXBRTIKJ-FUHWJXTLSA-N 2 0 332.448 1.424 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC[C@H]3CCNC3=O)CC2)C[C@H](C)O1 ZINC000568163649 448826444 /nfs/dbraw/zinc/82/64/44/448826444.db2.gz KNSJCJLTTPDADT-SOLBZPMBSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529331174 448829197 /nfs/dbraw/zinc/82/91/97/448829197.db2.gz JCAONIUDCFITDI-NVXWUHKLSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@H](c1ccc(NC[C@H](O)C[N@H+](C)C2CC2)cc1)N1CCOCC1 ZINC000579702638 448856226 /nfs/dbraw/zinc/85/62/26/448856226.db2.gz ZYNMUFHXLATOFM-BEFAXECRSA-N 2 0 333.476 1.947 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C1 ZINC000574529763 448897893 /nfs/dbraw/zinc/89/78/93/448897893.db2.gz ZWKIFMGIGQJLMW-QGZVFWFLSA-N 2 0 336.524 1.395 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)CC1 ZINC000520351660 448886150 /nfs/dbraw/zinc/88/61/50/448886150.db2.gz PDGQWQNTPHNKRF-SFHVURJKSA-N 2 0 330.476 1.848 20 0 EDADRP C/C=C/c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000574782257 448955596 /nfs/dbraw/zinc/95/55/96/448955596.db2.gz VCSYETOAVCXOTP-VOTSOKGWSA-N 2 0 346.475 1.610 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000569223025 448982626 /nfs/dbraw/zinc/98/26/26/448982626.db2.gz RIBDZOCLPXSMBA-HOTGVXAUSA-N 2 0 344.286 1.789 20 0 EDADRP Fc1ccc(-c2noc(CN3CCN(c4ncc[nH]4)CC3)n2)cc1 ZINC000582039352 448994139 /nfs/dbraw/zinc/99/41/39/448994139.db2.gz FANFOLAMVVWZLB-UHFFFAOYSA-N 2 0 328.351 1.921 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000574987414 449006997 /nfs/dbraw/zinc/00/69/97/449006997.db2.gz XVUZSQQZUCHEOO-RCCFBDPRSA-N 2 0 328.460 1.881 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000575023493 449015766 /nfs/dbraw/zinc/01/57/66/449015766.db2.gz JSSCKCFRJHPGQR-UKRRQHHQSA-N 2 0 331.464 1.894 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000521867263 449019899 /nfs/dbraw/zinc/01/98/99/449019899.db2.gz HBHJGNLWXXEFNH-FUHWJXTLSA-N 2 0 332.492 1.479 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956850 449077558 /nfs/dbraw/zinc/07/75/58/449077558.db2.gz ZZQBHNWZYIXIGD-DOTOQJQBSA-N 2 0 341.459 1.752 20 0 EDADRP O=C(NCCCN1CCOCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522185714 449061560 /nfs/dbraw/zinc/06/15/60/449061560.db2.gz JXYLQXBIEZUHQF-GOSISDBHSA-N 2 0 346.475 1.132 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)CC1 ZINC000595890427 449236268 /nfs/dbraw/zinc/23/62/68/449236268.db2.gz DBUNKXBKSOFOJN-IBGZPJMESA-N 3 0 328.504 1.544 20 0 EDADRP COC(=O)c1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)n1C ZINC000602014156 449274930 /nfs/dbraw/zinc/27/49/30/449274930.db2.gz BVMNCAPKZMBKCR-UHFFFAOYSA-N 2 0 346.431 1.437 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)c21 ZINC000595960372 449283468 /nfs/dbraw/zinc/28/34/68/449283468.db2.gz DGWDHUQMOUYGBH-JKSUJKDBSA-N 2 0 345.491 1.571 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)C2)CC1 ZINC000602117258 449358297 /nfs/dbraw/zinc/35/82/97/449358297.db2.gz FUHHDYFXOKBBML-RBUKOAKNSA-N 2 0 348.535 1.630 20 0 EDADRP C[NH+](C)C1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000613991805 449409310 /nfs/dbraw/zinc/40/93/10/449409310.db2.gz DINLCGXNSRARDA-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066445 449441806 /nfs/dbraw/zinc/44/18/06/449441806.db2.gz FREVQAPDQZWHQY-VQIMIIECSA-N 2 0 337.508 1.556 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2C[N@@H+]3CCN2CCC3)o1 ZINC000614508405 449660062 /nfs/dbraw/zinc/66/00/62/449660062.db2.gz VILHIOFHHXSEIM-OAHLLOKOSA-N 2 0 334.464 1.241 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000601027542 449660661 /nfs/dbraw/zinc/66/06/61/449660661.db2.gz PNYYEWVICNHNDB-QGZVFWFLSA-N 2 0 331.460 1.729 20 0 EDADRP COC(=O)c1ccc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)o1 ZINC000601067782 449678242 /nfs/dbraw/zinc/67/82/42/449678242.db2.gz BXRSZOSMDSHBPZ-UHFFFAOYSA-N 2 0 330.388 1.825 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2([S@@](C)=O)CC[NH2+]CC2)c1 ZINC000602504865 449636675 /nfs/dbraw/zinc/63/66/75/449636675.db2.gz NBOCLXIAHCBVMK-HSZRJFAPSA-N 2 0 337.489 1.496 20 0 EDADRP COC(=O)CC1CCC([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000599019894 449700510 /nfs/dbraw/zinc/70/05/10/449700510.db2.gz OFZVKFKIMCGJNQ-ABHNRTSZSA-N 2 0 339.524 1.970 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602583912 449687227 /nfs/dbraw/zinc/68/72/27/449687227.db2.gz VODPADLNLAUMLX-UAGQMJEPSA-N 2 0 347.459 1.151 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[NH+](C)C ZINC000617700447 449744989 /nfs/dbraw/zinc/74/49/89/449744989.db2.gz DZPINNLOHRVTIO-QZTJIDSGSA-N 2 0 333.476 1.456 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000617700781 449747781 /nfs/dbraw/zinc/74/77/81/449747781.db2.gz LDESQOWNSSJMEO-GPMSIDNRSA-N 2 0 345.487 1.742 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC1CC[NH+](CCO)CC1)c1ccccc1 ZINC000601222867 449758229 /nfs/dbraw/zinc/75/82/29/449758229.db2.gz OUIFCQCACZAALP-KRWDZBQOSA-N 2 0 334.464 1.045 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000594949831 449817862 /nfs/dbraw/zinc/81/78/62/449817862.db2.gz QQIALEIWSLZCDX-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CCNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000617753950 449818228 /nfs/dbraw/zinc/81/82/28/449818228.db2.gz MNEUDTUDCNJKAU-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000595007279 449839854 /nfs/dbraw/zinc/83/98/54/449839854.db2.gz LSQRKXWOMURNCR-HNNXBMFYSA-N 2 0 327.513 1.970 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000608483218 449854206 /nfs/dbraw/zinc/85/42/06/449854206.db2.gz ISCKPHOCUZUTOF-HNNXBMFYSA-N 2 0 346.475 1.727 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000615083304 449942374 /nfs/dbraw/zinc/94/23/74/449942374.db2.gz FFKFLSMBIRCOBC-INIZCTEOSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@]1(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC[NH2+]C1 ZINC000612930426 449944344 /nfs/dbraw/zinc/94/43/44/449944344.db2.gz NYYZNKHVKMXYCT-VMGRFDJRSA-N 2 0 338.402 1.462 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccc2c(c1)CCCO2 ZINC000612939220 449947723 /nfs/dbraw/zinc/94/77/23/449947723.db2.gz RJOXMSGWQYYABW-CJNGLKHVSA-N 2 0 332.448 1.357 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)CC1 ZINC000615089347 449950268 /nfs/dbraw/zinc/95/02/68/449950268.db2.gz JBPOCYFPJQYVOZ-GDBMZVCRSA-N 2 0 341.521 1.135 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612986019 449971158 /nfs/dbraw/zinc/97/11/58/449971158.db2.gz IINZPTSQYYTMLD-OAHLLOKOSA-N 2 0 336.505 1.963 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC(C[NH+]3CCN(C)CC3)C2)o1 ZINC000615272847 450037802 /nfs/dbraw/zinc/03/78/02/450037802.db2.gz GAUAZSDXGINAGP-UHFFFAOYSA-N 2 0 348.491 1.441 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC(C[NH+](C)C)C3)CC2)c1 ZINC000615509497 450119367 /nfs/dbraw/zinc/11/93/67/450119367.db2.gz NMXXBWBNWQRSNH-UHFFFAOYSA-N 2 0 344.503 1.527 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1COc2cc(F)ccc2C1 ZINC000625286575 450274767 /nfs/dbraw/zinc/27/47/67/450274767.db2.gz IPYIMIKPQAFPJC-HNNXBMFYSA-N 2 0 337.439 1.329 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1([NH+](C)C)CC1 ZINC000613719281 450277405 /nfs/dbraw/zinc/27/74/05/450277405.db2.gz DYOLDQLIXXKBDQ-SFHVURJKSA-N 2 0 331.460 1.176 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)N[C@H]2CCC[N@H+](C)C2)C[C@H](C)O1 ZINC000618549533 450239028 /nfs/dbraw/zinc/23/90/28/450239028.db2.gz AYXQTODVPJWDPZ-ZNMIVQPWSA-N 2 0 326.485 1.268 20 0 EDADRP O=C(NCC[NH+]1CCC(O)CC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000615991133 450292805 /nfs/dbraw/zinc/29/28/05/450292805.db2.gz NJEDNGLSPYSEMS-LJQANCHMSA-N 2 0 345.487 1.439 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000623465806 450525935 /nfs/dbraw/zinc/52/59/35/450525935.db2.gz FPQSZSWLFJYJGY-KRWDZBQOSA-N 2 0 338.496 1.415 20 0 EDADRP CC(C[NH+]1C[C@@H]2CCC[C@]2(CO)C1)C[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014919 450554095 /nfs/dbraw/zinc/55/40/95/450554095.db2.gz ZPTFLCXLWXKDDW-VNTMZGSJSA-N 2 0 336.520 1.811 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCO1 ZINC000620971385 450567406 /nfs/dbraw/zinc/56/74/06/450567406.db2.gz HYJRDNVHNWEGNS-QZTJIDSGSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CCO1 ZINC000620970680 450567620 /nfs/dbraw/zinc/56/76/20/450567620.db2.gz VRCVNPUQRFUGQD-SFHVURJKSA-N 2 0 333.476 1.931 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H]1C)c1ccccc1 ZINC000627292638 450629309 /nfs/dbraw/zinc/62/93/09/450629309.db2.gz ZRKFNKBZFKYDFU-UAGQMJEPSA-N 2 0 346.475 1.052 20 0 EDADRP CC(C)[NH+]1CCC(N(C)S(=O)(=O)CCC[NH+]2CCCC2)CC1 ZINC000631712541 450728338 /nfs/dbraw/zinc/72/83/38/450728338.db2.gz PWWBENWPBUTZFY-UHFFFAOYSA-N 2 0 331.526 1.607 20 0 EDADRP CCCCO[C@H]1C[C@H]([NH2+]CCCN2CCC[C@H]2C(N)=O)C1(C)C ZINC000624085876 450701020 /nfs/dbraw/zinc/70/10/20/450701020.db2.gz HAVNYCHITQSJPT-JYJNAYRXSA-N 2 0 325.497 1.900 20 0 EDADRP CCOCC[N@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000629573026 450742696 /nfs/dbraw/zinc/74/26/96/450742696.db2.gz BWKQSXCKZRGCNG-LJQANCHMSA-N 2 0 345.487 1.834 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000635222697 450765869 /nfs/dbraw/zinc/76/58/69/450765869.db2.gz GPONHRNSSGFJCT-UHFFFAOYSA-N 2 0 345.487 1.519 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000621642529 450807855 /nfs/dbraw/zinc/80/78/55/450807855.db2.gz POTTVZTZDYDQAG-ZACQAIPSSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3C[C@H]4CCC[C@@]4([NH3+])C3)ccc21 ZINC000621684493 450831645 /nfs/dbraw/zinc/83/16/45/450831645.db2.gz NFCVDCDQCAMMDZ-VQIMIIECSA-N 2 0 326.444 1.944 20 0 EDADRP FC1(F)Oc2cccc(CC[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2O1 ZINC000631827734 450801098 /nfs/dbraw/zinc/80/10/98/450801098.db2.gz VKOQNZBWYBGWFE-CQSZACIVSA-N 2 0 339.386 1.530 20 0 EDADRP CCOc1cncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000621727448 450851527 /nfs/dbraw/zinc/85/15/27/450851527.db2.gz CWNCLQYDYWSFRG-UHFFFAOYSA-N 2 0 332.492 1.940 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000631923569 450882241 /nfs/dbraw/zinc/88/22/41/450882241.db2.gz WGSKVXWTLPQNIO-QGZVFWFLSA-N 2 0 343.537 1.752 20 0 EDADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000629979002 450929705 /nfs/dbraw/zinc/92/97/05/450929705.db2.gz NCCBWMABIJQJML-MJGOQNOKSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]1 ZINC000626920926 451005178 /nfs/dbraw/zinc/00/51/78/451005178.db2.gz NWCFXZTZMVOKDM-CVEARBPZSA-N 2 0 338.496 1.461 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)N[C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000626923358 451007544 /nfs/dbraw/zinc/00/75/44/451007544.db2.gz RDAUSQKCGYWMDA-YSIASYRMSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000626991088 451055956 /nfs/dbraw/zinc/05/59/56/451055956.db2.gz BVCWKPSVWAHTIK-LSDHHAIUSA-N 2 0 340.855 1.230 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000626991772 451057215 /nfs/dbraw/zinc/05/72/15/451057215.db2.gz KCZLPANFGKHQSR-OAHLLOKOSA-N 2 0 342.871 1.478 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635562085 451060691 /nfs/dbraw/zinc/06/06/91/451060691.db2.gz VVFWSHHCZVIVSA-QGZVFWFLSA-N 2 0 336.524 1.252 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627014672 451079031 /nfs/dbraw/zinc/07/90/31/451079031.db2.gz DDRKTGYPCMZJQL-MSOLQXFVSA-N 2 0 348.491 1.431 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627014678 451079661 /nfs/dbraw/zinc/07/96/61/451079661.db2.gz DDRKTGYPCMZJQL-ZWKOTPCHSA-N 2 0 348.491 1.431 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635581184 451080673 /nfs/dbraw/zinc/08/06/73/451080673.db2.gz DTQBSHWWKMVVNC-QAPCUYQASA-N 2 0 335.492 1.620 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000627019329 451083679 /nfs/dbraw/zinc/08/36/79/451083679.db2.gz ARYXAEHMILIUTN-USXIJHARSA-N 2 0 348.516 1.654 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000627038528 451095476 /nfs/dbraw/zinc/09/54/76/451095476.db2.gz JXFHQUUYBZCPSS-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP [NH3+]C1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCOCC1 ZINC000626982943 451050941 /nfs/dbraw/zinc/05/09/41/451050941.db2.gz WUUWWYBHQYPHCH-UHFFFAOYSA-N 2 0 326.485 1.450 20 0 EDADRP CC(C)C[C@H](C(=O)N1CCC[C@H]1CN1CCOCC1)n1ccnc1 ZINC000635618006 451107878 /nfs/dbraw/zinc/10/78/78/451107878.db2.gz KARZODCLIWYEKC-DLBZAZTESA-N 2 0 334.464 1.794 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000627090748 451120227 /nfs/dbraw/zinc/12/02/27/451120227.db2.gz YTNYQJFEJIHDEK-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H](C)C[NH+]2CCOCC2)CC1 ZINC000633958194 451122622 /nfs/dbraw/zinc/12/26/22/451122622.db2.gz RPATXLLXGVQWGQ-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C23CCC[NH+](CCC2)C3)C[C@H](C)O1 ZINC000635657815 451142732 /nfs/dbraw/zinc/14/27/32/451142732.db2.gz FATHJJWEGCPVAS-CALCHBBNSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1C[C@@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627174096 451165343 /nfs/dbraw/zinc/16/53/43/451165343.db2.gz ILTMOPUPBTVATK-SJORKVTESA-N 2 0 348.491 1.527 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000635685756 451168041 /nfs/dbraw/zinc/16/80/41/451168041.db2.gz PQWLWCWLXWXNAW-LJQANCHMSA-N 2 0 345.487 1.530 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000627252567 451210407 /nfs/dbraw/zinc/21/04/07/451210407.db2.gz ZAKCQQRSVQPWLO-OAHLLOKOSA-N 2 0 346.479 1.128 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000635743557 451213480 /nfs/dbraw/zinc/21/34/80/451213480.db2.gz IPHRTFRYSYDJFH-UHFFFAOYSA-N 2 0 331.460 1.924 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C[NH+]2CCOCC2)[C@H]1c1ccccc1 ZINC000635745311 451215326 /nfs/dbraw/zinc/21/53/26/451215326.db2.gz WGIALBIOMQLTFM-QZTJIDSGSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H]1CN(S(=O)(=O)CCC[NH+]2CCCC2)CC[N@@H+](C2CCC2)C1 ZINC000632361347 451223944 /nfs/dbraw/zinc/22/39/44/451223944.db2.gz XMWPBHQYITYNGO-INIZCTEOSA-N 2 0 343.537 1.608 20 0 EDADRP C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCC(C)CC1 ZINC000638086242 451252072 /nfs/dbraw/zinc/25/20/72/451252072.db2.gz QOKSMKKKFYFSDM-IEBWSBKVSA-N 2 0 346.519 1.682 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089767 451255891 /nfs/dbraw/zinc/25/58/91/451255891.db2.gz CUOBTHZWUMXPPJ-KSZLIROESA-N 2 0 338.540 1.767 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000638102046 451268918 /nfs/dbraw/zinc/26/89/18/451268918.db2.gz HEEGXEPOKKFNKH-HKUYNNGSSA-N 2 0 349.475 1.400 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC000638101834 451269284 /nfs/dbraw/zinc/26/92/84/451269284.db2.gz QKDXXGDMNGNAFP-ZIFCJYIRSA-N 2 0 337.508 1.868 20 0 EDADRP COCC[NH2+]CCc1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630595364 451269291 /nfs/dbraw/zinc/26/92/91/451269291.db2.gz CSUFZJOQXWSDJP-SFHVURJKSA-N 2 0 343.475 1.579 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000638113894 451283131 /nfs/dbraw/zinc/28/31/31/451283131.db2.gz QOKLROWTQAWNGA-AWEZNQCLSA-N 2 0 332.448 1.449 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C[C@H]1C ZINC000638120658 451289482 /nfs/dbraw/zinc/28/94/82/451289482.db2.gz BKRDFNSLOAKKHW-HFTRVMKXSA-N 2 0 333.476 1.896 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+]1CCC(C)CC1 ZINC000636550768 451291415 /nfs/dbraw/zinc/29/14/15/451291415.db2.gz FOZOWDVPHUSTQL-IAGOWNOFSA-N 2 0 340.512 1.109 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000638125854 451295767 /nfs/dbraw/zinc/29/57/67/451295767.db2.gz ZGGRELMVMNCFJJ-MXSMSXNCSA-N 2 0 333.476 1.860 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000636556935 451299326 /nfs/dbraw/zinc/29/93/26/451299326.db2.gz IWEBLJDNIOVSBG-ROUUACIJSA-N 2 0 346.475 1.189 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000638137603 451310023 /nfs/dbraw/zinc/31/00/23/451310023.db2.gz MAILKQWZSXLYJD-RBUKOAKNSA-N 2 0 346.519 1.855 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638144224 451317786 /nfs/dbraw/zinc/31/77/86/451317786.db2.gz BQOLEIFMQSJEKO-CHWSQXEVSA-N 2 0 345.447 1.113 20 0 EDADRP CC1([NH3+])CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638196233 451350421 /nfs/dbraw/zinc/35/04/21/451350421.db2.gz RJDUBBKBWWJLCN-UHFFFAOYSA-N 2 0 344.503 1.710 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N3CC[C@@](C)(C[NH3+])C3)ccc2[nH]c1=O ZINC000638220467 451364566 /nfs/dbraw/zinc/36/45/66/451364566.db2.gz QJLAZMGDSAACKS-SFHVURJKSA-N 2 0 345.447 1.114 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1)C(F)F ZINC000638257974 451384205 /nfs/dbraw/zinc/38/42/05/451384205.db2.gz DPZMLAVSMDSVFU-UWVGGRQHSA-N 2 0 325.281 1.804 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000638287317 451404378 /nfs/dbraw/zinc/40/43/78/451404378.db2.gz WOQLMFGJIWTQHS-SZMVWBNQSA-N 2 0 331.460 1.508 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000638287954 451404906 /nfs/dbraw/zinc/40/49/06/451404906.db2.gz YEYFJOJVUBJOPM-CYGHRXIMSA-N 2 0 333.476 1.718 20 0 EDADRP C[NH2+][C@@H](C)Cc1noc(CC2([NH3+])CCN(Cc3ccccc3)CC2)n1 ZINC000634556434 451405073 /nfs/dbraw/zinc/40/50/73/451405073.db2.gz SMCIIDQTNUMVDO-HNNXBMFYSA-N 2 0 343.475 1.756 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)CC[N@@H+]1C ZINC000630809727 451414402 /nfs/dbraw/zinc/41/44/02/451414402.db2.gz GHZURAQLAWPJDZ-GOEBONIOSA-N 2 0 331.464 1.502 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000638328441 451435979 /nfs/dbraw/zinc/43/59/79/451435979.db2.gz ISUQVCNOGFSWCC-RYQLBKOJSA-N 2 0 331.460 1.556 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)[C@]12CCCO2 ZINC000638359019 451459245 /nfs/dbraw/zinc/45/92/45/451459245.db2.gz FDRNORNOBMPMOH-KZNAEPCWSA-N 2 0 325.497 1.330 20 0 EDADRP [NH3+]C1(CC(=O)NCCC[NH2+]C2CC2)CCN(Cc2ccccc2)CC1 ZINC000638373650 451470014 /nfs/dbraw/zinc/47/00/14/451470014.db2.gz ACPRSKXNVKIYEQ-UHFFFAOYSA-N 2 0 344.503 1.628 20 0 EDADRP C[NH+]1CCC(CC[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634702621 451477785 /nfs/dbraw/zinc/47/77/85/451477785.db2.gz JDGBMUJAZBKSDV-FQEVSTJZSA-N 2 0 331.504 1.945 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CC1(O)CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000634710995 451489890 /nfs/dbraw/zinc/48/98/90/451489890.db2.gz HSNBPNUOEDSZMY-BQFCYCMXSA-N 2 0 340.508 1.522 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000638400633 451489940 /nfs/dbraw/zinc/48/99/40/451489940.db2.gz KGTYHJNOEKWQQG-QZTJIDSGSA-N 2 0 346.519 1.682 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)c1 ZINC000638342173 451446839 /nfs/dbraw/zinc/44/68/39/451446839.db2.gz MKKAIYFMJOWFNT-SZMVWBNQSA-N 2 0 347.459 1.440 20 0 EDADRP OCCC[N@@H+]1CCC[C@H](NC[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000634720267 451500244 /nfs/dbraw/zinc/50/02/44/451500244.db2.gz HPQJDAYCJZWOSG-VQTJNVASSA-N 2 0 347.503 1.060 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638429015 451510206 /nfs/dbraw/zinc/51/02/06/451510206.db2.gz AMDDQTGMTLDGTO-CQSZACIVSA-N 2 0 347.463 1.407 20 0 EDADRP C[NH+](C)[C@H]1C[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1(C)C ZINC000636102049 451515761 /nfs/dbraw/zinc/51/57/61/451515761.db2.gz VFLHGQNNQQGVNJ-HOTGVXAUSA-N 2 0 345.491 1.292 20 0 EDADRP C[C@@]1(NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]C1 ZINC000638439044 451517722 /nfs/dbraw/zinc/51/77/22/451517722.db2.gz GVDPNSJBPVZILT-GOSISDBHSA-N 2 0 330.476 1.238 20 0 EDADRP CO[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@@H]1CCOC1 ZINC000638459904 451526220 /nfs/dbraw/zinc/52/62/20/451526220.db2.gz NNJYACXRDGDIRT-QAPCUYQASA-N 2 0 325.497 1.186 20 0 EDADRP CO[C@](C)(C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000638463470 451529675 /nfs/dbraw/zinc/52/96/75/451529675.db2.gz VOAPIQDTDPDVAF-LJQANCHMSA-N 2 0 332.492 1.998 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526120 451558682 /nfs/dbraw/zinc/55/86/82/451558682.db2.gz DXLJXDSAIMEGTF-INIZCTEOSA-N 2 0 334.464 1.680 20 0 EDADRP CCN1CCOC[C@@H]1C(=O)N(C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000636858275 451559516 /nfs/dbraw/zinc/55/95/16/451559516.db2.gz NROMYDQDDNZQOZ-LJQANCHMSA-N 2 0 345.487 1.830 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC[C@H]1C(F)(F)F ZINC000638546983 451571521 /nfs/dbraw/zinc/57/15/21/451571521.db2.gz HYIPYOGAPKPOPF-RBSFLKMASA-N 2 0 341.377 1.687 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCN3CCOCC3)cc2)CC[N@@H+]1C ZINC000631079356 451572652 /nfs/dbraw/zinc/57/26/52/451572652.db2.gz GGSSNTIRSPCUKF-MJGOQNOKSA-N 2 0 347.503 1.970 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000635011756 451648639 /nfs/dbraw/zinc/64/86/39/451648639.db2.gz HBGQOHNFPZWPEW-UTJXIGIESA-N 2 0 340.489 1.536 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000631229278 451650756 /nfs/dbraw/zinc/65/07/56/451650756.db2.gz IEIKIMKKKQASDK-WBVHZDCISA-N 2 0 339.505 1.568 20 0 EDADRP C[NH+](C)CC1CCC([NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000638776223 451687127 /nfs/dbraw/zinc/68/71/27/451687127.db2.gz NTDVMSVIMMFGJR-UHFFFAOYSA-N 2 0 325.478 1.544 20 0 EDADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638779288 451687770 /nfs/dbraw/zinc/68/77/70/451687770.db2.gz JEMZZFKSUQUTRH-MJGOQNOKSA-N 2 0 343.471 1.491 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800531 451695037 /nfs/dbraw/zinc/69/50/37/451695037.db2.gz NBIYNNSEYVPSGZ-AOIWGVFYSA-N 2 0 331.460 1.392 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@H]2CC)[C@H](C)C1 ZINC000631325727 451696171 /nfs/dbraw/zinc/69/61/71/451696171.db2.gz BBFKWSPDFMTKCE-TVFCKZIOSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000638834527 451705431 /nfs/dbraw/zinc/70/54/31/451705431.db2.gz HDAWNXHYHVOCIF-MJKGWSOKSA-N 2 0 327.472 1.870 20 0 EDADRP [NH3+]C[C@H](C(=O)NCc1cccc2c1CC[NH2+]C2)c1ccc(F)cc1 ZINC000638844868 451708573 /nfs/dbraw/zinc/70/85/73/451708573.db2.gz BXRYZFCKAOHSKD-SFHVURJKSA-N 2 0 327.403 1.830 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845459 451708791 /nfs/dbraw/zinc/70/87/91/451708791.db2.gz QEAAVDLVEGOULR-SQGPQFPESA-N 2 0 343.471 1.481 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638862793 451713491 /nfs/dbraw/zinc/71/34/91/451713491.db2.gz JDYBLXYOHOBCHQ-CQSZACIVSA-N 2 0 327.494 1.934 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000638727138 451667557 /nfs/dbraw/zinc/66/75/57/451667557.db2.gz FKWPKXFJHJDDBP-CQSZACIVSA-N 2 0 345.434 1.335 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cnn2c1CCCC2 ZINC000631267610 451670984 /nfs/dbraw/zinc/67/09/84/451670984.db2.gz JWCRWAWEPKVICT-UHFFFAOYSA-N 2 0 349.523 1.494 20 0 EDADRP C[C@@H]1CCn2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc2C1 ZINC000631268933 451671862 /nfs/dbraw/zinc/67/18/62/451671862.db2.gz WDTXSTQMOQDRQH-MRXNPFEDSA-N 2 0 349.523 1.811 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001406 451750229 /nfs/dbraw/zinc/75/02/29/451750229.db2.gz KXLNYZCRVGCVKJ-QUCCMNQESA-N 2 0 345.487 1.844 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641215181 451784193 /nfs/dbraw/zinc/78/41/93/451784193.db2.gz ORMAFZWVYROSST-IAGOWNOFSA-N 2 0 329.448 1.238 20 0 EDADRP CC(C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@H]1C)[NH+]1CCCCC1 ZINC000649077098 451820314 /nfs/dbraw/zinc/82/03/14/451820314.db2.gz LWSQLSUQFYZXJW-CVEARBPZSA-N 2 0 338.496 1.075 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000644531165 451845720 /nfs/dbraw/zinc/84/57/20/451845720.db2.gz YVTBKWZYTCBTNL-QGZVFWFLSA-N 2 0 336.480 1.099 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000644562384 451862746 /nfs/dbraw/zinc/86/27/46/451862746.db2.gz NBDITOVSACXYHM-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000644583801 451877199 /nfs/dbraw/zinc/87/71/99/451877199.db2.gz LVIKILNEECLMEF-KZNAEPCWSA-N 2 0 349.475 1.847 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCO1 ZINC000646846276 451884629 /nfs/dbraw/zinc/88/46/29/451884629.db2.gz PLQXNCJHCFDEIX-CXAGYDPISA-N 2 0 326.400 1.435 20 0 EDADRP COc1ncc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)cc1Cl ZINC000644658016 451922631 /nfs/dbraw/zinc/92/26/31/451922631.db2.gz KVOMGJHGWPMVJK-SCRDCRAPSA-N 2 0 343.855 1.303 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000649276641 451947949 /nfs/dbraw/zinc/94/79/49/451947949.db2.gz VCOIJIYXLVKFJS-FVQHAEBGSA-N 2 0 344.459 1.162 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@]1(COC)CCC[NH2+]1 ZINC000649281491 451953665 /nfs/dbraw/zinc/95/36/65/451953665.db2.gz MXAXDCZOJIDQTB-IBGZPJMESA-N 2 0 333.476 1.913 20 0 EDADRP CC1(OCC(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[NH2+]C1 ZINC000649287845 451960431 /nfs/dbraw/zinc/96/04/31/451960431.db2.gz CGZKQVSPZYVJKG-UHFFFAOYSA-N 2 0 331.460 1.188 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(N)CC[NH+](C)C2)cc1 ZINC000649288268 451963152 /nfs/dbraw/zinc/96/31/52/451963152.db2.gz HBJICGLIEPEVDC-JXFKEZNVSA-N 2 0 344.503 1.710 20 0 EDADRP C[N@H+](CCCNC(=O)CN1CCCC[C@H]([NH3+])C1=O)C1CCCCC1 ZINC000649293706 451969242 /nfs/dbraw/zinc/96/92/42/451969242.db2.gz FQMOPQSUDOCDGG-INIZCTEOSA-N 2 0 338.496 1.097 20 0 EDADRP COCCC1(C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CC[NH2+]CC1 ZINC000649303342 451979427 /nfs/dbraw/zinc/97/94/27/451979427.db2.gz WETKQFRNMLKCCQ-UHFFFAOYSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649303653 451980481 /nfs/dbraw/zinc/98/04/81/451980481.db2.gz PMHDDLRHSAFDHF-AWEZNQCLSA-N 2 0 334.468 1.007 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305096 451981515 /nfs/dbraw/zinc/98/15/15/451981515.db2.gz CVMICXFENDASER-ICSRJNTNSA-N 2 0 345.487 1.783 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@@]2(N)CC[N@H+](C)C2)cc1Cl ZINC000649305883 451983059 /nfs/dbraw/zinc/98/30/59/451983059.db2.gz JTLWWGVZXHCZNV-MRXNPFEDSA-N 2 0 340.855 1.252 20 0 EDADRP C[N@@H+]1CC[C@](N)(C(=O)NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000649308943 451986192 /nfs/dbraw/zinc/98/61/92/451986192.db2.gz JCWGREDGNGPANE-RHSMWYFYSA-N 2 0 336.505 1.109 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CCC([NH3+])CC2)CC1 ZINC000649312547 451991306 /nfs/dbraw/zinc/99/13/06/451991306.db2.gz YMQXLBKKVCTSKP-VYMRPNJYSA-N 2 0 336.524 1.521 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000649332323 452014797 /nfs/dbraw/zinc/01/47/97/452014797.db2.gz SDFKKCPISZHRIK-YOEHRIQHSA-N 2 0 344.459 1.449 20 0 EDADRP O[C@@H](COC[C@H]1CCCO1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682101 452021584 /nfs/dbraw/zinc/02/15/84/452021584.db2.gz KSCGGKVSOMKHRW-QZTJIDSGSA-N 2 0 335.448 1.150 20 0 EDADRP CN(C)C[C@H](NS(=O)(=O)CCn1ccnc1)c1ccc(F)cc1 ZINC000641498193 452028863 /nfs/dbraw/zinc/02/88/63/452028863.db2.gz WVXTZPQOQBQIOX-HNNXBMFYSA-N 2 0 340.424 1.245 20 0 EDADRP [NH3+][C@H]1CCC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000649365739 452043228 /nfs/dbraw/zinc/04/32/28/452043228.db2.gz VCHODBOIJQNAEJ-ROUUACIJSA-N 2 0 344.503 1.832 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)cc2)CC1 ZINC000649365050 452043347 /nfs/dbraw/zinc/04/33/47/452043347.db2.gz RATUTTRUIOFBNA-HNNXBMFYSA-N 2 0 340.418 1.146 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[NH2+]C12CCCC2 ZINC000649372562 452047684 /nfs/dbraw/zinc/04/76/84/452047684.db2.gz CLFPPHGCEJJHIX-INIZCTEOSA-N 2 0 335.492 1.812 20 0 EDADRP C[C@H](CC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C1CC[NH2+]CC1 ZINC000647085598 452052399 /nfs/dbraw/zinc/05/23/99/452052399.db2.gz YWDPDIDTUUNFRA-FAEJEUNOSA-N 2 0 336.524 1.345 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000647087821 452053102 /nfs/dbraw/zinc/05/31/02/452053102.db2.gz NFBWURUOLABLDW-XWTMOSNGSA-N 2 0 335.492 1.367 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1)c1ccccc1 ZINC000637798483 452089102 /nfs/dbraw/zinc/08/91/02/452089102.db2.gz HPVJOZVVICYGKR-ZHALLVOQSA-N 2 0 333.476 1.953 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CC(=O)NCc3ccc4c(c3)OCO4)C2)CC1 ZINC000639758871 452097765 /nfs/dbraw/zinc/09/77/65/452097765.db2.gz XYAHLUNWXDWQFV-UHFFFAOYSA-N 2 0 345.443 1.449 20 0 EDADRP COc1ncncc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000647168177 452102029 /nfs/dbraw/zinc/10/20/29/452102029.db2.gz LGTVKVGRENSXEH-UHFFFAOYSA-N 2 0 341.459 1.393 20 0 EDADRP CN(CCC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637855618 452115848 /nfs/dbraw/zinc/11/58/48/452115848.db2.gz WNUXTDMPOSYVFW-HKUYNNGSSA-N 2 0 331.460 1.332 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)[C@@]1(O)CCOC1 ZINC000647247246 452143737 /nfs/dbraw/zinc/14/37/37/452143737.db2.gz DVCLXDPFVXPCFC-GOSISDBHSA-N 2 0 330.432 1.843 20 0 EDADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000645106561 452154020 /nfs/dbraw/zinc/15/40/20/452154020.db2.gz GTLVFEIVUKYVGT-HQRMLTQVSA-N 2 0 327.472 1.908 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(c2nc(N)[nH+]c3c2CCCC3)C1 ZINC000645182839 452199207 /nfs/dbraw/zinc/19/92/07/452199207.db2.gz LWMXTTBEEUYPIK-AWEZNQCLSA-N 2 0 333.480 1.875 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000641773235 452244727 /nfs/dbraw/zinc/24/47/27/452244727.db2.gz XCAHFQDBJLLOMQ-KRWDZBQOSA-N 2 0 337.464 1.567 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cnc3ccccn23)C1)[C@@H]1CCC[NH2+]1 ZINC000647509560 452245882 /nfs/dbraw/zinc/24/58/82/452245882.db2.gz OYNKGDHJSDHAPW-RDJZCZTQSA-N 2 0 341.459 1.415 20 0 EDADRP Cc1nc(-c2ccccc2)oc1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000641796621 452271169 /nfs/dbraw/zinc/27/11/69/452271169.db2.gz DTKXOVOUZLPBMO-MRXNPFEDSA-N 2 0 342.443 1.937 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)C2=O)cc1 ZINC000647550154 452277449 /nfs/dbraw/zinc/27/74/49/452277449.db2.gz CNADAJTYVAETHV-MTNOOBJLSA-N 2 0 343.471 1.774 20 0 EDADRP C[N@@H+](Cc1ccc(S(N)(=O)=O)c(Cl)c1)CC1CC[NH+](C)CC1 ZINC000638029950 452279865 /nfs/dbraw/zinc/27/98/65/452279865.db2.gz YEBHEVVKWGWEKG-UHFFFAOYSA-N 2 0 345.896 1.761 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCN(C)C[C@@H]2Cc2ccccc2)CC1 ZINC000649828551 452285976 /nfs/dbraw/zinc/28/59/76/452285976.db2.gz LPFIPXZIYCZMSK-IBGZPJMESA-N 2 0 344.503 1.009 20 0 EDADRP C[NH+](C)[C@H]1CCOc2c(NC(=O)C(=O)NCCC(C)(C)[NH3+])cccc21 ZINC000641821602 452303895 /nfs/dbraw/zinc/30/38/95/452303895.db2.gz KRMHSJCELQTUIZ-AWEZNQCLSA-N 2 0 348.447 1.254 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000641825425 452308931 /nfs/dbraw/zinc/30/89/31/452308931.db2.gz UVCLAZBNDRJUDJ-UHFFFAOYSA-N 2 0 340.512 1.154 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C3CC[NH2+]CC3)C2)C1 ZINC000659459472 452313677 /nfs/dbraw/zinc/31/36/77/452313677.db2.gz YURZTIODTOXSAB-IRXDYDNUSA-N 2 0 338.496 1.128 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)NCC[NH+](CC)CC)cc1 ZINC000638047980 452314147 /nfs/dbraw/zinc/31/41/47/452314147.db2.gz LMZRHSYLUYVURD-AWEZNQCLSA-N 2 0 334.464 1.695 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)cc2)CC1 ZINC000655515406 452326201 /nfs/dbraw/zinc/32/62/01/452326201.db2.gz ZWIVLGFJKVZFGV-AWEZNQCLSA-N 2 0 344.381 1.448 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665758236 452328926 /nfs/dbraw/zinc/32/89/26/452328926.db2.gz CCQGRBHKMFHRRA-IRXDYDNUSA-N 2 0 341.544 1.240 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000652140120 452333841 /nfs/dbraw/zinc/33/38/41/452333841.db2.gz FCWQKLVELWUUCI-UHFFFAOYSA-N 2 0 334.464 1.316 20 0 EDADRP C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659482057 452340305 /nfs/dbraw/zinc/34/03/05/452340305.db2.gz UGDRXVVHINIUDE-VDHUWJSZSA-N 2 0 348.466 1.978 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659481210 452341496 /nfs/dbraw/zinc/34/14/96/452341496.db2.gz GTDOWONPFFBHFL-WAZRQNRBSA-N 2 0 328.460 1.558 20 0 EDADRP [NH3+]C1(CC(=O)NCC[NH+]2CCCC2)CCN(Cc2ccccc2)CC1 ZINC000638057879 452344234 /nfs/dbraw/zinc/34/42/34/452344234.db2.gz PKCLSFTXACAGPZ-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP C[C@H]1[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659493910 452356953 /nfs/dbraw/zinc/35/69/53/452356953.db2.gz YFKSMMPVJLBBBY-SVGFKBNWSA-N 2 0 334.439 1.730 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000638063813 452361988 /nfs/dbraw/zinc/36/19/88/452361988.db2.gz PZSGHPYKWAUTBJ-MJGOQNOKSA-N 2 0 349.450 1.673 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@]2(C)C[NH2+]CCO2)cc1 ZINC000638063782 452362055 /nfs/dbraw/zinc/36/20/55/452362055.db2.gz HJSMJPARKKXOEZ-IBGZPJMESA-N 2 0 349.475 1.402 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638064250 452364448 /nfs/dbraw/zinc/36/44/48/452364448.db2.gz KPMVRDLMPSNFFU-LZLYRXPVSA-N 2 0 325.497 1.626 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657597308 452364829 /nfs/dbraw/zinc/36/48/29/452364829.db2.gz SZNKOXQCTQTBTG-GOSISDBHSA-N 2 0 326.444 1.686 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)CC1 ZINC000663629129 452367769 /nfs/dbraw/zinc/36/77/69/452367769.db2.gz JRTFXMSCURIHDD-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH2+]CCCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659505208 452370927 /nfs/dbraw/zinc/37/09/27/452370927.db2.gz IPAJGFWEKJDLTM-UHFFFAOYSA-N 2 0 333.480 1.592 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCCC2CC[NH2+]CC2)CCCO1 ZINC000652182984 452377009 /nfs/dbraw/zinc/37/70/09/452377009.db2.gz JTZQEYGYIXKHPB-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000638070711 452378647 /nfs/dbraw/zinc/37/86/47/452378647.db2.gz VGHUBEJSZPCGET-GOSISDBHSA-N 2 0 333.476 1.946 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659516667 452379526 /nfs/dbraw/zinc/37/95/26/452379526.db2.gz IVNARYMBIGDGNV-IAGOWNOFSA-N 2 0 340.512 1.646 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000659516539 452381121 /nfs/dbraw/zinc/38/11/21/452381121.db2.gz QPHBSJRUASAERK-WWGRRREGSA-N 2 0 338.402 1.462 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)CC[NH3+])cc1 ZINC000659528216 452391291 /nfs/dbraw/zinc/39/12/91/452391291.db2.gz BQQHMMCUCLWFIJ-JQFCIGGWSA-N 2 0 334.464 1.567 20 0 EDADRP [NH3+]Cc1ncc(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cn1 ZINC000638079464 452395838 /nfs/dbraw/zinc/39/58/38/452395838.db2.gz FLHUYBLENQTQJJ-UHFFFAOYSA-N 2 0 325.416 1.826 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659538111 452397250 /nfs/dbraw/zinc/39/72/50/452397250.db2.gz VTCHOWRLBAFFOK-FHLIZLRMSA-N 2 0 346.475 1.050 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCC[NH2+]1 ZINC000659542027 452400690 /nfs/dbraw/zinc/40/06/90/452400690.db2.gz MMYZEMSYEVPPPM-LMMKCTJWSA-N 2 0 346.475 1.200 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C(F)F ZINC000659548336 452405618 /nfs/dbraw/zinc/40/56/18/452405618.db2.gz GSWIXFWITJERBT-HZSPNIEDSA-N 2 0 344.381 1.553 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000665853345 452416898 /nfs/dbraw/zinc/41/68/98/452416898.db2.gz GQIARRNIXMQAQQ-HUUCEWRRSA-N 2 0 340.431 1.309 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659565475 452420917 /nfs/dbraw/zinc/42/09/17/452420917.db2.gz IQHNGWUQIYFMRT-QGZVFWFLSA-N 2 0 331.464 1.284 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000652234836 452424024 /nfs/dbraw/zinc/42/40/24/452424024.db2.gz LXDCPKPBUARYBC-INIZCTEOSA-N 2 0 334.464 1.726 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000654373545 452424370 /nfs/dbraw/zinc/42/43/70/452424370.db2.gz LFUZQRNPUMTRMF-RHNCMZPLSA-N 2 0 330.476 1.684 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[C@@H]1[NH3+] ZINC000659582565 452438637 /nfs/dbraw/zinc/43/86/37/452438637.db2.gz UKHTVGANBZPYPH-NKKGCODLSA-N 2 0 334.439 1.650 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[C@@H]([NH3+])C(C)C)cc1 ZINC000659588058 452443295 /nfs/dbraw/zinc/44/32/95/452443295.db2.gz DCNJSUNXPHCHTQ-KSZLIROESA-N 2 0 348.491 1.813 20 0 EDADRP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000647709575 452444336 /nfs/dbraw/zinc/44/43/36/452444336.db2.gz YVRPBXVTZXYIAP-SQNIBIBYSA-N 2 0 335.492 1.451 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659589162 452445397 /nfs/dbraw/zinc/44/53/97/452445397.db2.gz LJQAEMUXILIDIK-GUDXXQAFSA-N 2 0 334.439 1.650 20 0 EDADRP C[C@@H](C(=O)NCCCC[NH+]1CCN(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000645478883 452448939 /nfs/dbraw/zinc/44/89/39/452448939.db2.gz SYIAORZIIXBEDQ-AEFFLSMTSA-N 2 0 332.492 1.466 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000659617320 452475291 /nfs/dbraw/zinc/47/52/91/452475291.db2.gz OZRTVEYGJAZUFQ-UHFFFAOYSA-N 2 0 336.480 1.025 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618062 452475421 /nfs/dbraw/zinc/47/54/21/452475421.db2.gz ZBWZBIBSPIBOGT-TVRKMHQQSA-N 2 0 328.460 1.654 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(CC)C2)[C@H](C)C1 ZINC000652297716 452480346 /nfs/dbraw/zinc/48/03/46/452480346.db2.gz XQMNBEWCYFADIL-ZACQAIPSSA-N 2 0 325.497 1.581 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC3CC[NH2+]CC3)CC2)c1 ZINC000652312829 452486797 /nfs/dbraw/zinc/48/67/97/452486797.db2.gz BRDPNSXYZGAKDM-UHFFFAOYSA-N 2 0 347.463 1.312 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCCC2CC[NH2+]CC2)C1 ZINC000652315221 452489211 /nfs/dbraw/zinc/48/92/11/452489211.db2.gz ORZXUEOSJQYLTO-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659635551 452498894 /nfs/dbraw/zinc/49/88/94/452498894.db2.gz JKUIGLOLSPOJFN-INIZCTEOSA-N 2 0 345.491 1.248 20 0 EDADRP C[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc(S(N)(=O)=O)cc1 ZINC000652341530 452512212 /nfs/dbraw/zinc/51/22/12/452512212.db2.gz WVRGSTKPFRVLTR-ZDUSSCGKSA-N 2 0 345.468 1.831 20 0 EDADRP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347263 452522294 /nfs/dbraw/zinc/52/22/94/452522294.db2.gz XFIZOLKFJLSLHY-LUKYLMHMSA-N 2 0 325.497 1.900 20 0 EDADRP CC(C)CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652346886 452523812 /nfs/dbraw/zinc/52/38/12/452523812.db2.gz LALHMWATXHRVNC-MWDXBVQZSA-N 2 0 325.497 1.756 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C2CCN([C@H]3CCOC3)CC2)CC1 ZINC000655708759 452527103 /nfs/dbraw/zinc/52/71/03/452527103.db2.gz OFLWAZAUZKIFBX-MJGOQNOKSA-N 2 0 338.540 1.103 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H](C)[NH3+])C(=O)NCc1cccs1 ZINC000647802899 452534528 /nfs/dbraw/zinc/53/45/28/452534528.db2.gz XXZYXJXXGBZBBT-PMOUVXMZSA-N 2 0 325.478 1.485 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652361176 452540976 /nfs/dbraw/zinc/54/09/76/452540976.db2.gz ZBGQNVNMEXGWRR-CWQOZTLDSA-N 2 0 337.508 1.852 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000657833582 452556037 /nfs/dbraw/zinc/55/60/37/452556037.db2.gz VKVKWJAHLSUHEI-SFHVURJKSA-N 2 0 327.513 1.434 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000659699740 452585487 /nfs/dbraw/zinc/58/54/87/452585487.db2.gz VEQOZHANVFEOGT-MRXNPFEDSA-N 2 0 340.512 1.104 20 0 EDADRP CC[NH+]1CCN(c2cnc(N3CC[N@@H+](CC)C[C@@H]3C)cn2)[C@H](C)C1 ZINC000663906204 452634135 /nfs/dbraw/zinc/63/41/35/452634135.db2.gz USCSXLNIIODLBT-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP CC(C)c1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000647909533 452649914 /nfs/dbraw/zinc/64/99/14/452649914.db2.gz VPBDIQZGHPLYPW-HNNXBMFYSA-N 2 0 335.496 1.541 20 0 EDADRP C(N1CC[NH+](C2CC2)CC1)C1(C[NH+]2CCN(C3CC3)CC2)CCC1 ZINC000647960934 452705715 /nfs/dbraw/zinc/70/57/15/452705715.db2.gz UXPZFQPKNPCUKW-UHFFFAOYSA-N 2 0 332.536 1.717 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000658074032 452715744 /nfs/dbraw/zinc/71/57/44/452715744.db2.gz BSUGYEWVSNJMAM-XSLAGTTESA-N 2 0 328.497 1.765 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661981528 452734202 /nfs/dbraw/zinc/73/42/02/452734202.db2.gz RQFMMGMRXKWWAA-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661985079 452739353 /nfs/dbraw/zinc/73/93/53/452739353.db2.gz OYMBPMQTDBIJQN-INIZCTEOSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@]3(OCCO)CCOC3)CC2)C1 ZINC000658148937 452757488 /nfs/dbraw/zinc/75/74/88/452757488.db2.gz PPDQUFVQAXXDIZ-NEWSRXKRSA-N 2 0 340.508 1.787 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654659868 452774614 /nfs/dbraw/zinc/77/46/14/452774614.db2.gz MDUVPYAAMBLMKN-GASCZTMLSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)NC(=O)NCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000645786819 452787507 /nfs/dbraw/zinc/78/75/07/452787507.db2.gz CBLGEKNCGOJUDT-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1C[N@@H+](CCN2CCN(C[C@H]3CCCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000659911393 452801142 /nfs/dbraw/zinc/80/11/42/452801142.db2.gz XSNHQEPBXWMXBI-CEXWTWQISA-N 2 0 338.540 1.198 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N[C@@H](C)CC[NH3+])C1CCCCC1 ZINC000652698960 452846841 /nfs/dbraw/zinc/84/68/41/452846841.db2.gz NFGQSKKTRNNEPL-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP CN(C)c1ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1Cl ZINC000654732712 452852625 /nfs/dbraw/zinc/85/26/25/452852625.db2.gz FLJVDPNAUKCHMR-UHFFFAOYSA-N 2 0 341.887 1.366 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734256 452861237 /nfs/dbraw/zinc/86/12/37/452861237.db2.gz COBWWBPPDRNQMR-ULQDDVLXSA-N 2 0 338.496 1.149 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H](c2nccn2C)C(C)(C)CO)CC[N@@H+]1C ZINC000664215409 452888690 /nfs/dbraw/zinc/88/86/90/452888690.db2.gz BMCCDXKYWWIKLB-MGPQQGTHSA-N 2 0 337.468 1.262 20 0 EDADRP CC[C@H](OCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccccc1 ZINC000650710761 452948422 /nfs/dbraw/zinc/94/84/22/452948422.db2.gz YYFSBUUEQJTZFP-WMZOPIPTSA-N 2 0 333.476 1.941 20 0 EDADRP NC(=O)c1c[nH+]ccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664283960 452964200 /nfs/dbraw/zinc/96/42/00/452964200.db2.gz ZJPLSPILDYJRSO-UHFFFAOYSA-N 2 0 325.416 1.322 20 0 EDADRP O=C(c1ccccc1F)N1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250938 452975194 /nfs/dbraw/zinc/97/51/94/452975194.db2.gz SRROILNETPGFAK-HNNXBMFYSA-N 2 0 347.434 1.495 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](CN3CCCC3=O)C2)cc1 ZINC000662315420 453034136 /nfs/dbraw/zinc/03/41/36/453034136.db2.gz FIFIHNASPHEJRN-RDJZCZTQSA-N 2 0 331.460 1.682 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@@H]1CCC[N@@H+](CCc2cccnc2)C1 ZINC000662337897 453055616 /nfs/dbraw/zinc/05/56/16/453055616.db2.gz NMPQAPJGYMXWBG-QGZVFWFLSA-N 2 0 340.475 1.636 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC[C@H]1CCN1Cc1ccccc1 ZINC000660129167 453056022 /nfs/dbraw/zinc/05/60/22/453056022.db2.gz CTFAYDNSQBMTIA-QGZVFWFLSA-N 2 0 339.505 1.522 20 0 EDADRP CO[C@@H](C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C1CCC1 ZINC000662339018 453057022 /nfs/dbraw/zinc/05/70/22/453057022.db2.gz ZLXHTYDYHQHUCS-AEFFLSMTSA-N 2 0 347.507 1.814 20 0 EDADRP CN(CC[N@H+](C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O)C1CC[NH+](C)CC1 ZINC000660139424 453069443 /nfs/dbraw/zinc/06/94/43/453069443.db2.gz VHOJHENOQOXKEB-RYQLBKOJSA-N 2 0 336.524 1.392 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1)C(C)C ZINC000656322346 453071293 /nfs/dbraw/zinc/07/12/93/453071293.db2.gz MPIFEGICCXACQA-IYBDPMFKSA-N 2 0 340.512 1.068 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CCCCCC1 ZINC000662367727 453078237 /nfs/dbraw/zinc/07/82/37/453078237.db2.gz FTIIOZLBIOIWLQ-CQSZACIVSA-N 2 0 333.480 1.871 20 0 EDADRP CN(C(=O)[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644153832 453085372 /nfs/dbraw/zinc/08/53/72/453085372.db2.gz VQZWCSYQWPSKHC-HZPDHXFCSA-N 2 0 337.414 1.964 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)C1 ZINC000660155194 453086054 /nfs/dbraw/zinc/08/60/54/453086054.db2.gz MAMJGWGWGCCADQ-WCIQWLHISA-N 2 0 336.568 1.922 20 0 EDADRP CC[C@@H]([NH2+]C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000662383723 453093045 /nfs/dbraw/zinc/09/30/45/453093045.db2.gz MQRPSSWURKWHGX-MSOLQXFVSA-N 2 0 332.492 1.479 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000646087612 453096843 /nfs/dbraw/zinc/09/68/43/453096843.db2.gz FNBUTOIIZXBUGJ-QAPCUYQASA-N 2 0 329.444 1.054 20 0 EDADRP CC[C@H]1C[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCO1 ZINC000648488492 453109549 /nfs/dbraw/zinc/10/95/49/453109549.db2.gz XPRHGQNUEIDTRM-QYZOEREBSA-N 2 0 347.503 1.823 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000664453198 453109539 /nfs/dbraw/zinc/10/95/39/453109539.db2.gz XKORHAXJNRUZGI-SFHVURJKSA-N 2 0 346.475 1.811 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)c1 ZINC000662399614 453110516 /nfs/dbraw/zinc/11/05/16/453110516.db2.gz XQOUHSXBVBXQPY-MRXNPFEDSA-N 2 0 342.447 1.955 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC000666754704 453118798 /nfs/dbraw/zinc/11/87/98/453118798.db2.gz RVBTUGFTYHGYHD-BBWFWOEESA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000646138227 453148852 /nfs/dbraw/zinc/14/88/52/453148852.db2.gz GTOPAUTZPGXPGK-MRXNPFEDSA-N 2 0 339.867 1.828 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)N[C@H](C)C[C@H](C)[NH3+])cn2)CC1 ZINC000646183342 453194184 /nfs/dbraw/zinc/19/41/84/453194184.db2.gz VCVTXFYTNYMWTH-LSDHHAIUSA-N 2 0 348.495 1.149 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662494094 453211743 /nfs/dbraw/zinc/21/17/43/453211743.db2.gz WBYXICQDHNBCKU-QFBILLFUSA-N 2 0 344.503 1.611 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC[C@H]21 ZINC000666906763 453230301 /nfs/dbraw/zinc/23/03/01/453230301.db2.gz AIDFETAVAQQKQX-GDBMZVCRSA-N 2 0 330.432 1.027 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000662535198 453259182 /nfs/dbraw/zinc/25/91/82/453259182.db2.gz FNQBYEDVYWZDFV-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666973292 453289271 /nfs/dbraw/zinc/28/92/71/453289271.db2.gz TZJIKMNAHHXKGX-KRWDZBQOSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000653106918 453289778 /nfs/dbraw/zinc/28/97/78/453289778.db2.gz QJTARLQWOFPUBV-SFHVURJKSA-N 2 0 332.492 1.568 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000653106634 453290108 /nfs/dbraw/zinc/29/01/08/453290108.db2.gz GNWFNYASSOSYDA-GOSISDBHSA-N 2 0 332.492 1.568 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666978267 453299207 /nfs/dbraw/zinc/29/92/07/453299207.db2.gz VUIQLKRMWAXQJM-RDJZCZTQSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662582289 453310683 /nfs/dbraw/zinc/31/06/83/453310683.db2.gz MZRXXATWKKLDBT-NXOAAHMSSA-N 2 0 325.497 1.742 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653123019 453316082 /nfs/dbraw/zinc/31/60/82/453316082.db2.gz LMKNDCHEHLYFQB-INIZCTEOSA-N 2 0 345.487 1.649 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000662592240 453319284 /nfs/dbraw/zinc/31/92/84/453319284.db2.gz IICFEEFMOUBABE-ZIAGYGMSSA-N 2 0 334.468 1.053 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000662593680 453320671 /nfs/dbraw/zinc/32/06/71/453320671.db2.gz QAPVQYDXQIKJBX-DEXNDLTESA-N 2 0 337.508 1.756 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662593931 453320714 /nfs/dbraw/zinc/32/07/14/453320714.db2.gz MDLHHINDRUUKIS-FUHWJXTLSA-N 2 0 345.491 1.659 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn(C3CC[NH2+]CC3)nn2)C1 ZINC000662593254 453321182 /nfs/dbraw/zinc/32/11/82/453321182.db2.gz MVMHHEWVCNLTFG-ZDUSSCGKSA-N 2 0 334.468 1.053 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000653149015 453335941 /nfs/dbraw/zinc/33/59/41/453335941.db2.gz SVWWTNOOCYNCLX-LJQANCHMSA-N 2 0 346.519 1.433 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000651194771 453346765 /nfs/dbraw/zinc/34/67/65/453346765.db2.gz QCZHGWHUMYKXBW-QGZVFWFLSA-N 2 0 341.544 1.290 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000662637948 453352826 /nfs/dbraw/zinc/35/28/26/453352826.db2.gz NEYJCUUGITZFHB-KRWDZBQOSA-N 2 0 348.516 1.505 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653169040 453360611 /nfs/dbraw/zinc/36/06/11/453360611.db2.gz ZYWNHXOFDQWIEJ-FUHWJXTLSA-N 3 0 338.540 1.769 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653182294 453371243 /nfs/dbraw/zinc/37/12/43/453371243.db2.gz PZIJGPQZTMKBJZ-GRDNDAEWSA-N 2 0 332.448 1.506 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)[C@H]1CCC[NH2+]C1 ZINC000653190152 453380453 /nfs/dbraw/zinc/38/04/53/453380453.db2.gz HIHQMNIDEVCGSQ-FPSMNIFISA-N 2 0 337.508 1.757 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000667067784 453384119 /nfs/dbraw/zinc/38/41/19/453384119.db2.gz NCNSKHJOBNIADB-INIZCTEOSA-N 2 0 346.475 1.725 20 0 EDADRP COC[C@H](C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000660538184 453385038 /nfs/dbraw/zinc/38/50/38/453385038.db2.gz NFDDDNGDKRWSRG-PMACEKPBSA-N 2 0 347.503 1.540 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000667078562 453391074 /nfs/dbraw/zinc/39/10/74/453391074.db2.gz XNKKYQNZUISSAR-PBHICJAKSA-N 2 0 342.443 1.171 20 0 EDADRP Cn1nnnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000651256282 453401311 /nfs/dbraw/zinc/40/13/11/453401311.db2.gz DLMCQVVOZIPVSI-RCCFBDPRSA-N 2 0 340.475 1.785 20 0 EDADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)CC1 ZINC000662703286 453426458 /nfs/dbraw/zinc/42/64/58/453426458.db2.gz JBMJWPBLTCYIHC-WKILWMFISA-N 2 0 344.459 1.102 20 0 EDADRP CCO[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@H]1C[NH3+] ZINC000653246871 453430077 /nfs/dbraw/zinc/43/00/77/453430077.db2.gz BPAVMRZMYNJXMT-IPMKNSEASA-N 2 0 345.487 1.721 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142994 453435586 /nfs/dbraw/zinc/43/55/86/453435586.db2.gz SKCWZIDCPPZKDQ-BBRMVZONSA-N 2 0 330.432 1.169 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000667156089 453445482 /nfs/dbraw/zinc/44/54/82/453445482.db2.gz UMWXRELWKSWRGT-QGZVFWFLSA-N 2 0 344.463 1.829 20 0 EDADRP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662723272 453449614 /nfs/dbraw/zinc/44/96/14/453449614.db2.gz VWFISOOJWDQWNT-CYBMUJFWSA-N 2 0 325.294 1.748 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000662730712 453457322 /nfs/dbraw/zinc/45/73/22/453457322.db2.gz NEYIXZXYZJVZTD-QZTJIDSGSA-N 2 0 347.459 1.141 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662730025 453457461 /nfs/dbraw/zinc/45/74/61/453457461.db2.gz YZMCWMHYSBVRFU-BZSNNMDCSA-N 2 0 331.460 1.331 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662733458 453459280 /nfs/dbraw/zinc/45/92/80/453459280.db2.gz KMHXTEFNOBBNCC-GJZGRUSLSA-N 2 0 334.468 1.197 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662744872 453473338 /nfs/dbraw/zinc/47/33/38/453473338.db2.gz IZEAJVXQFJBLHU-HOTGVXAUSA-N 2 0 348.495 1.539 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000662754005 453489944 /nfs/dbraw/zinc/48/99/44/453489944.db2.gz AVEMWWMPFSWWBW-SFHVURJKSA-N 2 0 344.503 1.309 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CC1 ZINC000662754583 453491339 /nfs/dbraw/zinc/49/13/39/453491339.db2.gz RIPVFFPLJVZJPA-SFHVURJKSA-N 2 0 344.503 1.433 20 0 EDADRP O=C(C[C@H](c1ncc[nH]1)c1ccccc1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655409592 453509787 /nfs/dbraw/zinc/50/97/87/453509787.db2.gz AFSIIMHMVBIWFE-BBWFWOEESA-N 2 0 340.427 1.209 20 0 EDADRP C[C@@H]([NH2+]CCn1cc(Br)ccc1=O)C1CC[NH+](C)CC1 ZINC000651376212 453518607 /nfs/dbraw/zinc/51/86/07/453518607.db2.gz FHXVIOLSHKYQKH-GFCCVEGCSA-N 2 0 342.281 1.931 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCc1ccc(F)cc1 ZINC000656894655 453528139 /nfs/dbraw/zinc/52/81/39/453528139.db2.gz MSVUHRFHAPGYJG-UHFFFAOYSA-N 2 0 345.484 1.123 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655448125 453535274 /nfs/dbraw/zinc/53/52/74/453535274.db2.gz BXLJPXHAUNLDDU-RDTXWAMCSA-N 2 0 330.432 1.175 20 0 EDADRP CCC[C@@H]1CN(C(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000662825527 453553524 /nfs/dbraw/zinc/55/35/24/453553524.db2.gz JNBMYCMRHIPHDC-HUUCEWRRSA-N 2 0 349.479 1.060 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662826032 453553731 /nfs/dbraw/zinc/55/37/31/453553731.db2.gz QWZUTXBAUYGKMX-KBAYOESNSA-N 2 0 337.508 1.853 20 0 EDADRP C[C@@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000662832589 453559652 /nfs/dbraw/zinc/55/96/52/453559652.db2.gz IVMBBTHNIQEIDH-WMZOPIPTSA-N 2 0 337.508 1.726 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662832991 453559895 /nfs/dbraw/zinc/55/98/95/453559895.db2.gz YAEHJSPWRZVGTJ-HNNXBMFYSA-N 2 0 348.495 1.539 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662846722 453568124 /nfs/dbraw/zinc/56/81/24/453568124.db2.gz UFTQDZBFAMOKSF-CABCVRRESA-N 2 0 348.495 1.443 20 0 EDADRP [NH3+]C1(C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)Cc2ccccc2C1 ZINC000662846730 453568570 /nfs/dbraw/zinc/56/85/70/453568570.db2.gz UIIQVYCWIIKWGA-GOSISDBHSA-N 2 0 327.472 1.721 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000667338872 453569233 /nfs/dbraw/zinc/56/92/33/453569233.db2.gz TZMGLIJDNLSCRV-SFHVURJKSA-N 2 0 334.508 1.988 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662857466 453573233 /nfs/dbraw/zinc/57/32/33/453573233.db2.gz BJSBADSOSWQRIZ-KSZLIROESA-N 2 0 331.460 1.258 20 0 EDADRP COC1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[NH2+]CC1 ZINC000662859169 453573397 /nfs/dbraw/zinc/57/33/97/453573397.db2.gz OATAVWWSUPTHDA-UHFFFAOYSA-N 2 0 346.475 1.178 20 0 EDADRP O=C(CCC1CC[NH2+]CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857628 453573762 /nfs/dbraw/zinc/57/37/62/453573762.db2.gz BPMAVSRZENKLLK-LJQANCHMSA-N 2 0 345.487 1.649 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000662861160 453576733 /nfs/dbraw/zinc/57/67/33/453576733.db2.gz XXYWUYOODRJBHT-OLMNPRSZSA-N 2 0 331.460 1.258 20 0 EDADRP CC(C)[NH2+]CCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000662865689 453578704 /nfs/dbraw/zinc/57/87/04/453578704.db2.gz AJYANQYAGNLJHP-CZUORRHYSA-N 2 0 325.403 1.915 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]2CC[NH2+]C2)cc1F ZINC000662870690 453582252 /nfs/dbraw/zinc/58/22/52/453582252.db2.gz LGHMYEHQFUNSKI-NOLJZWGESA-N 2 0 335.423 1.396 20 0 EDADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662878026 453584359 /nfs/dbraw/zinc/58/43/59/453584359.db2.gz KPNJGVLBESQAQI-DZGCQCFKSA-N 2 0 343.349 1.828 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000660826633 453590559 /nfs/dbraw/zinc/59/05/59/453590559.db2.gz QJNYZZYTMMHSFD-CJNGLKHVSA-N 2 0 328.526 1.596 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)C1 ZINC000659038772 453593774 /nfs/dbraw/zinc/59/37/74/453593774.db2.gz CHLKLEFATKGMQV-IRXDYDNUSA-N 2 0 332.448 1.953 20 0 EDADRP CN(C(=O)c1conc1C(C)(C)[NH3+])[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662899136 453594098 /nfs/dbraw/zinc/59/40/98/453594098.db2.gz BVWYSNHMRPJJMP-AWEZNQCLSA-N 2 0 349.479 1.109 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000665232414 453617238 /nfs/dbraw/zinc/61/72/38/453617238.db2.gz MKEKZUVAXRDUIY-DAWZGUTISA-N 2 0 336.476 1.722 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236165 453618737 /nfs/dbraw/zinc/61/87/37/453618737.db2.gz IRKNOFHSNLBEAD-PWSUYJOCSA-N 2 0 341.253 1.291 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000665255577 453627360 /nfs/dbraw/zinc/62/73/60/453627360.db2.gz XBIXRJANDRVRLU-CBVHJVASSA-N 2 0 333.476 1.497 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@H]1CCC[NH+](CC2CC2)C1 ZINC000660885956 453632890 /nfs/dbraw/zinc/63/28/90/453632890.db2.gz BPQVGYVGEWTQRI-QGPMSJSTSA-N 2 0 334.508 1.890 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283983 453636202 /nfs/dbraw/zinc/63/62/02/453636202.db2.gz YKACDDZKLKIIRC-OALUTQOASA-N 2 0 334.508 1.146 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665363871 453667732 /nfs/dbraw/zinc/66/77/32/453667732.db2.gz DNPFXIMCRHELQL-OAHLLOKOSA-N 2 0 340.512 1.394 20 0 EDADRP [NH3+][C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NCC1C[NH2+]C1 ZINC000659304303 453707802 /nfs/dbraw/zinc/70/78/02/453707802.db2.gz ADPHHKCELIBPDV-IBGZPJMESA-N 2 0 339.439 1.471 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC2(C[NH3+])CC2)cc1F ZINC000659356858 453726953 /nfs/dbraw/zinc/72/69/53/453726953.db2.gz REVMYOHANGSGLG-ZFWWWQNUSA-N 2 0 335.423 1.525 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCO[C@](C)(C2CC2)C1)c1ccccc1 ZINC000661170019 453744599 /nfs/dbraw/zinc/74/45/99/453744599.db2.gz WIKCSLZQNGBCPK-ICSRJNTNSA-N 2 0 345.487 1.906 20 0 EDADRP O=C1[C@H]2C[N@H+](CCCn3ccnc3)C[C@H]2C(=O)N1Cc1ccccc1 ZINC000661175910 453746789 /nfs/dbraw/zinc/74/67/89/453746789.db2.gz DTDNSDANBYVLGS-CALCHBBNSA-N 2 0 338.411 1.390 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000665555896 453748414 /nfs/dbraw/zinc/74/84/14/453748414.db2.gz MWWWIOGIPKDUBR-HOTGVXAUSA-N 2 0 338.496 1.223 20 0 EDADRP CO[C@@H]1CCC[C@H]([C@H](CO)[NH2+]CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000661216426 453762273 /nfs/dbraw/zinc/76/22/73/453762273.db2.gz RKYCCIPYWSXJJS-OTWHNJEPSA-N 2 0 341.540 1.558 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000661236913 453769718 /nfs/dbraw/zinc/76/97/18/453769718.db2.gz BIIFGCATFDWAPE-SFHVURJKSA-N 2 0 346.475 1.282 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657354004 453772988 /nfs/dbraw/zinc/77/29/88/453772988.db2.gz MSNKLVIXKTYZMU-VQIMIIECSA-N 2 0 333.476 1.580 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359010 453777585 /nfs/dbraw/zinc/77/75/85/453777585.db2.gz BTDNFSAXXAUEMS-SFHVURJKSA-N 2 0 346.519 1.903 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661352426 453798010 /nfs/dbraw/zinc/79/80/10/453798010.db2.gz UWYFHKAPXCTRPM-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](C[NH+](C)C)Nc1nc2cccnc2nc1N[C@@H](C)C[NH+](C)C ZINC000672345157 486696268 /nfs/dbraw/zinc/69/62/68/486696268.db2.gz WLENMXXWLZSHBN-STQMWFEESA-N 2 0 331.468 1.749 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC000683378022 486700865 /nfs/dbraw/zinc/70/08/65/486700865.db2.gz DJLRFQOFZOSPLM-DLBZAZTESA-N 2 0 340.512 1.659 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000680255525 486731316 /nfs/dbraw/zinc/73/13/16/486731316.db2.gz HBIYANPLVPMRKZ-IBGZPJMESA-N 2 0 340.427 1.723 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000672688209 486763213 /nfs/dbraw/zinc/76/32/13/486763213.db2.gz UPMKEYSIYOMGNB-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000680482677 486788430 /nfs/dbraw/zinc/78/84/30/486788430.db2.gz YQDZMSSXMHCSOD-LJQANCHMSA-N 2 0 345.487 1.678 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417969589 486819237 /nfs/dbraw/zinc/81/92/37/486819237.db2.gz OMYGZVQFMWEYKH-JKSUJKDBSA-N 2 0 331.464 1.867 20 0 EDADRP C[C@H]([NH3+])CNC(=O)C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000667559461 486845300 /nfs/dbraw/zinc/84/53/00/486845300.db2.gz NJGQTPTWPANJMU-AWEZNQCLSA-N 2 0 346.475 1.853 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CCC[NH+]3C3CCCC3)CC2)C1 ZINC000676698075 486845364 /nfs/dbraw/zinc/84/53/64/486845364.db2.gz LJEWVAVTWXYBTP-OALUTQOASA-N 2 0 348.535 1.632 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CC1 ZINC000680840767 486867783 /nfs/dbraw/zinc/86/77/83/486867783.db2.gz FSGXJBZFBRQZMQ-HDICACEKSA-N 2 0 336.524 1.393 20 0 EDADRP CC1(C)CN(C(=O)Nc2cccc3c2CC[NH2+]C3)CC[N@@H+]1CCO ZINC000667746415 486945798 /nfs/dbraw/zinc/94/57/98/486945798.db2.gz ZMZMUKKZSSDIIU-UHFFFAOYSA-N 2 0 332.448 1.253 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000684174858 486969233 /nfs/dbraw/zinc/96/92/33/486969233.db2.gz MVCRDLVEUGENCD-LJQANCHMSA-N 2 0 349.475 1.156 20 0 EDADRP C[C@H](NC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CC[NH+](C)CC1 ZINC000667808358 486975556 /nfs/dbraw/zinc/97/55/56/486975556.db2.gz MSZJJXVUJDWIGJ-SWLSCSKDSA-N 2 0 331.464 1.749 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000667822601 486982211 /nfs/dbraw/zinc/98/22/11/486982211.db2.gz NZQWCQHWKNTTQP-PKOBYXMFSA-N 2 0 330.476 1.751 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C[C@@H]1C ZINC000677189725 487001396 /nfs/dbraw/zinc/00/13/96/487001396.db2.gz BWBPQUMPLJQLJU-WMZOPIPTSA-N 2 0 330.476 1.846 20 0 EDADRP CO[C@@H]1CCC[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000684387864 487046577 /nfs/dbraw/zinc/04/65/77/487046577.db2.gz LKMCQNBHCVUXKP-OTWHNJEPSA-N 2 0 347.503 1.823 20 0 EDADRP C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684430118 487057554 /nfs/dbraw/zinc/05/75/54/487057554.db2.gz UEZWUHILYLUVSG-IBGZPJMESA-N 2 0 331.460 1.859 20 0 EDADRP CN1CCN(C(=O)[C@@H]2CCc3nccn3C2)C[C@@H]1Cc1ccccc1 ZINC000671927552 487156503 /nfs/dbraw/zinc/15/65/03/487156503.db2.gz DOJIBSKNHNZAFR-MSOLQXFVSA-N 2 0 338.455 1.831 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CC[NH+](C)C1 ZINC000681764571 487161814 /nfs/dbraw/zinc/16/18/14/487161814.db2.gz ASPNSPALUZVUIY-PKOBYXMFSA-N 2 0 331.460 1.034 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)C1 ZINC000677926848 487202346 /nfs/dbraw/zinc/20/23/46/487202346.db2.gz IUVZMVZDIYUKES-LJQANCHMSA-N 2 0 345.487 1.715 20 0 EDADRP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470506 487280514 /nfs/dbraw/zinc/28/05/14/487280514.db2.gz YWHIXCHOAGGRLS-CZUORRHYSA-N 2 0 325.478 1.830 20 0 EDADRP O=C1[C@H]([NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccc(F)cc1F ZINC000682517956 487380652 /nfs/dbraw/zinc/38/06/52/487380652.db2.gz MIQZGFHLVRJIJH-CKEIUWERSA-N 2 0 335.398 1.607 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000679326356 487415011 /nfs/dbraw/zinc/41/50/11/487415011.db2.gz UZVFCTCTRSKFBZ-WBVHZDCISA-N 2 0 339.505 1.426 20 0 EDADRP CN(CCC(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)c1cc[nH+]cc1 ZINC000679407331 487422542 /nfs/dbraw/zinc/42/25/42/487422542.db2.gz KISZDYOESLTDMF-GOSISDBHSA-N 2 0 346.475 1.621 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000679406600 487422549 /nfs/dbraw/zinc/42/25/49/487422549.db2.gz REQVXHFZYNHYSG-UHFFFAOYSA-N 2 0 333.480 1.052 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000675542205 487420474 /nfs/dbraw/zinc/42/04/74/487420474.db2.gz QREZWVPZGXZEMU-MRXNPFEDSA-N 2 0 340.512 1.395 20 0 EDADRP CN(CCC(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cc[nH+]cc1 ZINC000679405829 487422959 /nfs/dbraw/zinc/42/29/59/487422959.db2.gz CCESATYVOMGCGN-UHFFFAOYSA-N 2 0 325.416 1.652 20 0 EDADRP OCC[C@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@@H](CCO)C3)COC2)C1 ZINC000679850158 487468672 /nfs/dbraw/zinc/46/86/72/487468672.db2.gz AGPYQIRBJOMOGD-HDICACEKSA-N 2 0 340.508 1.192 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000668335008 485595406 /nfs/dbraw/zinc/59/54/06/485595406.db2.gz NNWFAULLHGJIKI-CYBMUJFWSA-N 2 0 338.496 1.012 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CCC1 ZINC000669573883 485609410 /nfs/dbraw/zinc/60/94/10/485609410.db2.gz BYDMRZAXNIFOFR-UHFFFAOYSA-N 2 0 348.413 1.972 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCO1 ZINC000669578662 485623105 /nfs/dbraw/zinc/62/31/05/485623105.db2.gz WNVRDWDPDQKGDL-UAGQMJEPSA-N 2 0 338.496 1.541 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000669283197 485924914 /nfs/dbraw/zinc/92/49/14/485924914.db2.gz ISWMQVXPKWSEMW-ZACQAIPSSA-N 2 0 340.512 1.501 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC[NH+](CC3CC3)CC2)CC1 ZINC000343913880 485940049 /nfs/dbraw/zinc/94/00/49/485940049.db2.gz GZBMSMKRJGJURM-MOPGFXCFSA-N 2 0 349.519 1.724 20 0 EDADRP Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(F)c(F)cc1F ZINC000284671291 486022271 /nfs/dbraw/zinc/02/22/71/486022271.db2.gz WOYRMACKBLWMLS-CZUORRHYSA-N 2 0 338.333 1.947 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388795 486024453 /nfs/dbraw/zinc/02/44/53/486024453.db2.gz QLHBNOZVFVVXAR-IAGOWNOFSA-N 2 0 340.512 1.376 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000669690571 486077661 /nfs/dbraw/zinc/07/76/61/486077661.db2.gz UBDQMHQHFIIBKM-UHFFFAOYSA-N 3 0 331.508 1.620 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)[NH+](C)C)cc1 ZINC000669418937 486137853 /nfs/dbraw/zinc/13/78/53/486137853.db2.gz IZKCZQWFGMTOLE-XIRDDKMYSA-N 2 0 334.464 1.355 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819659 486227572 /nfs/dbraw/zinc/22/75/72/486227572.db2.gz PNZCXSHFLPPJAP-MRXNPFEDSA-N 2 0 341.455 1.994 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000668819658 486227691 /nfs/dbraw/zinc/22/76/91/486227691.db2.gz PNZCXSHFLPPJAP-INIZCTEOSA-N 2 0 341.455 1.994 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000669508719 486291622 /nfs/dbraw/zinc/29/16/22/486291622.db2.gz KXAIUUMOMFTQKQ-INIZCTEOSA-N 2 0 325.412 1.308 20 0 EDADRP C[C@H]([NH2+][C@H]1CC(=O)N(CCOc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000090088765 491198545 /nfs/dbraw/zinc/19/85/45/491198545.db2.gz XVADTXDBQGWWSK-WMZOPIPTSA-N 2 0 345.487 1.986 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH+](C)CC1 ZINC000133875903 491222684 /nfs/dbraw/zinc/22/26/84/491222684.db2.gz WUULVEGOZYPDDY-AWEZNQCLSA-N 2 0 339.505 1.757 20 0 EDADRP COc1cccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1F ZINC000192945869 491235440 /nfs/dbraw/zinc/23/54/40/491235440.db2.gz FALYBVFEXAAIRS-UHFFFAOYSA-N 2 0 337.439 1.724 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2[N@H+](C)CCCC2(C)C)CC1 ZINC000684141275 491013641 /nfs/dbraw/zinc/01/36/41/491013641.db2.gz WQKKXORDMGYILO-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000154896658 533841052 /nfs/dbraw/zinc/84/10/52/533841052.db2.gz MXIWUBGMUMOJLD-ROUUACIJSA-N 3 0 348.535 1.914 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CCC[NH+]2CCCC2)C1 ZINC000346211792 535120648 /nfs/dbraw/zinc/12/06/48/535120648.db2.gz WIPOOTPONKDXPI-QGZVFWFLSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000236612920 535307147 /nfs/dbraw/zinc/30/71/47/535307147.db2.gz IYDSTABSFAVXPA-GOSISDBHSA-N 2 0 332.492 1.537 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000236790173 535353573 /nfs/dbraw/zinc/35/35/73/535353573.db2.gz RQVPHWSTDLKLJE-UHFFFAOYSA-N 2 0 348.495 1.363 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccn(C)n1 ZINC000339655914 535592004 /nfs/dbraw/zinc/59/20/04/535592004.db2.gz WEMKHQZTMXKUKF-KRWDZBQOSA-N 2 0 335.496 1.227 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)COC2CC[NH2+]CC2)cc1 ZINC000261743280 535604292 /nfs/dbraw/zinc/60/42/92/535604292.db2.gz TVUPCGVIRPRHMN-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000236917210 535604466 /nfs/dbraw/zinc/60/44/66/535604466.db2.gz YKDYRZUHHQLLSP-SFHVURJKSA-N 2 0 333.476 1.913 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]([NH3+])c1ccccc1 ZINC000237187027 535915512 /nfs/dbraw/zinc/91/55/12/535915512.db2.gz XTWDMWOTJOASBT-SFHVURJKSA-N 2 0 327.428 1.943 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000262016088 535917256 /nfs/dbraw/zinc/91/72/56/535917256.db2.gz VQGSISVQLFDGIH-SFHVURJKSA-N 2 0 346.519 1.749 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269945862 535970592 /nfs/dbraw/zinc/97/05/92/535970592.db2.gz UXRNKQCDEAEVJQ-LJQANCHMSA-N 2 0 333.476 1.327 20 0 EDADRP C[NH2+][C@@H](C)Cc1noc(-c2cccc(CN3CC[NH+](C)CC3)c2)n1 ZINC000261816109 536346526 /nfs/dbraw/zinc/34/65/26/536346526.db2.gz QEJUJDBROCSQHH-AWEZNQCLSA-N 2 0 329.448 1.634 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000743978137 579495917 /nfs/dbraw/zinc/49/59/17/579495917.db2.gz DDYOMHJRMUZXIR-OAHLLOKOSA-N 2 0 346.475 1.330 20 0 EDADRP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1CCCCCCCO ZINC000743848600 578282612 /nfs/dbraw/zinc/28/26/12/578282612.db2.gz ISZICBQGQVFXSO-QZTJIDSGSA-N 2 0 327.513 1.266 20 0 EDADRP C[NH+](C)CCNC(=S)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000727702635 578537872 /nfs/dbraw/zinc/53/78/72/578537872.db2.gz FPOMAPFDIPFLEY-KRWDZBQOSA-N 2 0 349.548 1.001 20 0 EDADRP CN(C)c1ccc([C@@H]2C[C@@H]2C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000730546581 578651812 /nfs/dbraw/zinc/65/18/12/578651812.db2.gz FLZCZBIDLXSDLH-OALUTQOASA-N 2 0 346.519 1.808 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000730826382 578659915 /nfs/dbraw/zinc/65/99/15/578659915.db2.gz XAYQAQBLGKPEFN-IXDOHACOSA-N 2 0 336.480 1.119 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000735327190 578876431 /nfs/dbraw/zinc/87/64/31/578876431.db2.gz NPJNJAMCDXDWFJ-QBPKDAKJSA-N 2 0 336.480 1.118 20 0 EDADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C3([NH+](C)C)CCC3)nc2)C1 ZINC000746294773 579585267 /nfs/dbraw/zinc/58/52/67/579585267.db2.gz VQIXWQDAHOJYRY-HNNXBMFYSA-N 2 0 331.464 1.645 20 0 EDADRP C(CCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)CCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000748813665 579701116 /nfs/dbraw/zinc/70/11/16/579701116.db2.gz PQOUDWWKUCDPOJ-LWYYNNOASA-N 4 0 334.552 1.629 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000764491863 580121703 /nfs/dbraw/zinc/12/17/03/580121703.db2.gz VNIVTKVRHBGPIS-HUUCEWRRSA-N 2 0 326.554 1.865 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCC(=O)N2CCCC2)[C@@H](C)C1 ZINC000764605161 580124567 /nfs/dbraw/zinc/12/45/67/580124567.db2.gz DYFPNGYEKHOPKS-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cn1 ZINC000766086490 580158673 /nfs/dbraw/zinc/15/86/73/580158673.db2.gz MAAWQSBDSKAQGE-GOEBONIOSA-N 2 0 334.468 1.393 20 0 EDADRP C[NH+](C)CCCNC(=S)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000767685101 580196839 /nfs/dbraw/zinc/19/68/39/580196839.db2.gz LTFODTKSFYUINX-JKSUJKDBSA-N 2 0 342.553 1.170 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000775755917 580399618 /nfs/dbraw/zinc/39/96/18/580399618.db2.gz TYJBPBAZWNAIMU-UHFFFAOYSA-N 2 0 343.475 1.822 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000780208189 580516069 /nfs/dbraw/zinc/51/60/69/580516069.db2.gz JUGYPARYPSBCJK-GJZGRUSLSA-N 2 0 342.553 1.122 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000786764986 580678358 /nfs/dbraw/zinc/67/83/58/580678358.db2.gz GBMSIGQYRDEICF-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC1)OCCO2 ZINC000795962725 580942295 /nfs/dbraw/zinc/94/22/95/580942295.db2.gz MGMHAFVVDUPFOQ-INIZCTEOSA-N 2 0 325.497 1.535 20 0 EDADRP COCCS(=O)(=O)CCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000799178696 581021458 /nfs/dbraw/zinc/02/14/58/581021458.db2.gz DINOAMXJQDJNRJ-UHFFFAOYSA-N 2 0 332.510 1.246 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H](O)c2ccc(F)cn2)C1 ZINC000799304620 581024748 /nfs/dbraw/zinc/02/47/48/581024748.db2.gz XLIAIGMPXKOIPV-WBVHZDCISA-N 2 0 325.428 1.687 20 0 EDADRP CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000891865880 590661876 /nfs/dbraw/zinc/66/18/76/590661876.db2.gz XFGHUOCWJHOWJV-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[N@@H+]2CCC[C@@H]2C)CC1 ZINC000893237206 590726732 /nfs/dbraw/zinc/72/67/32/590726732.db2.gz FWASMWWMPSZDNO-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CCO2)C1)C1CCCC1 ZINC000892184028 590852307 /nfs/dbraw/zinc/85/23/07/590852307.db2.gz NTCDNIQXNLZBBW-HYVNUMGLSA-N 2 0 338.496 1.304 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000892209220 590864710 /nfs/dbraw/zinc/86/47/10/590864710.db2.gz CFNDQYBGLQRQNF-UHFFFAOYSA-N 2 0 346.475 1.588 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000892210521 590866820 /nfs/dbraw/zinc/86/68/20/590866820.db2.gz MYAQTKOZZHOOLS-OAHLLOKOSA-N 2 0 339.443 1.961 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NCc1ccc(C[NH3+])cc1F)C2 ZINC000892224791 590872759 /nfs/dbraw/zinc/87/27/59/590872759.db2.gz ARCGKLZXAAVNHL-UHFFFAOYSA-N 2 0 349.435 1.468 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000892255298 590889576 /nfs/dbraw/zinc/88/95/76/590889576.db2.gz DUDXBSWFFDKQLA-MHORFTMASA-N 2 0 346.450 1.807 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000892261404 590895180 /nfs/dbraw/zinc/89/51/80/590895180.db2.gz WTARZKJZKBHNAX-VQHPVUNQSA-N 2 0 336.524 1.946 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000892273126 590905687 /nfs/dbraw/zinc/90/56/87/590905687.db2.gz GUAPQBUWBORSGB-MRXNPFEDSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892340460 590968661 /nfs/dbraw/zinc/96/86/61/590968661.db2.gz TZCFSTGZSFIVMS-IEBWSBKVSA-N 2 0 342.487 1.958 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+]C[C@H]2COC(C)(C)O2)c2ccccc2)CC1 ZINC000892397333 591009901 /nfs/dbraw/zinc/00/99/01/591009901.db2.gz LFCSSOHSDMIGBV-ROUUACIJSA-N 2 0 333.476 1.716 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C[C@H](C)[N@H+]1CCO ZINC000892407857 591015043 /nfs/dbraw/zinc/01/50/43/591015043.db2.gz HYALXZFDWQUFHK-JZXOWHBKSA-N 2 0 348.491 1.043 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000892412950 591017747 /nfs/dbraw/zinc/01/77/47/591017747.db2.gz UVCUAHQGTXMHCR-MOPGFXCFSA-N 2 0 344.503 1.978 20 0 EDADRP CC[NH+]1CCCN(c2nccc(N3CCC[N@@H+](CC)CC3)n2)CC1 ZINC000892424833 591022230 /nfs/dbraw/zinc/02/22/30/591022230.db2.gz GUDCBAAPYYGWHE-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4C[NH2+]C[C@@H]43)C2)cc1 ZINC000892529921 591060110 /nfs/dbraw/zinc/06/01/10/591060110.db2.gz FVLPMTXCMRKSFK-SQNIBIBYSA-N 2 0 328.460 1.573 20 0 EDADRP CCn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C)n1 ZINC000892533012 591062453 /nfs/dbraw/zinc/06/24/53/591062453.db2.gz VZVVKPLMFHIKNB-UHFFFAOYSA-N 2 0 328.464 1.648 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891455841 591078050 /nfs/dbraw/zinc/07/80/50/591078050.db2.gz HRVOLEMVZHCTGO-IRXDYDNUSA-N 2 0 346.475 1.663 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892599760 591089302 /nfs/dbraw/zinc/08/93/02/591089302.db2.gz ULLRQMCMCDOTER-ZJPYXAASSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000891508552 591098698 /nfs/dbraw/zinc/09/86/98/591098698.db2.gz NQVNLRXXBARJAT-NXHRZFHOSA-N 2 0 330.476 1.682 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000891510385 591099379 /nfs/dbraw/zinc/09/93/79/591099379.db2.gz VTGQHACGEQYKNY-HZPDHXFCSA-N 2 0 338.496 1.101 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538413 591113147 /nfs/dbraw/zinc/11/31/47/591113147.db2.gz XXDZKCWNVZWWCH-GJZGRUSLSA-N 2 0 326.485 1.175 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)/C=C/c1ccc(OCC[NH+](C)C)cc1 ZINC000893872404 591124106 /nfs/dbraw/zinc/12/41/06/591124106.db2.gz KMGGMFLFBUBWKS-JEJOPICUSA-N 2 0 331.460 1.851 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21)Cc1ccc(F)cc1 ZINC000891647233 591164887 /nfs/dbraw/zinc/16/48/87/591164887.db2.gz SJRILCKMOLCMJT-DLBZAZTESA-N 2 0 334.439 1.793 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000891662286 591174134 /nfs/dbraw/zinc/17/41/34/591174134.db2.gz XXJRUWNMIVJGCA-CZUORRHYSA-N 2 0 328.460 1.757 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891703699 591192442 /nfs/dbraw/zinc/19/24/42/591192442.db2.gz FGFQMHAFIGWHIJ-OFQRWUPVSA-N 2 0 331.464 1.644 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)CC(C)(C)C[NH+](C)C)C[C@H](C)O1 ZINC000891726757 591199820 /nfs/dbraw/zinc/19/98/20/591199820.db2.gz AZCULXRKUPNHGL-IYBDPMFKSA-N 2 0 342.528 1.715 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000892934556 591229794 /nfs/dbraw/zinc/22/97/94/591229794.db2.gz IGRRHHPRGONJCO-UHFFFAOYSA-N 2 0 338.496 1.543 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N(CCOC)CC2CC[NH+](C)CC2)CC1 ZINC000892934146 591229871 /nfs/dbraw/zinc/22/98/71/591229871.db2.gz BMDCPKSWAWYGFO-UHFFFAOYSA-N 2 0 340.512 1.600 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000894253539 591249129 /nfs/dbraw/zinc/24/91/29/591249129.db2.gz KYJNDANODFPBMF-UHFFFAOYSA-N 2 0 333.476 1.897 20 0 EDADRP COc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc1N[C@@H]1CC[NH+](C)[C@@H]1C ZINC000895740193 591262428 /nfs/dbraw/zinc/26/24/28/591262428.db2.gz MFSQHTQRRZWEPR-AAVRWANBSA-N 2 0 334.468 1.494 20 0 EDADRP CC[NH+]1CCC(CC[NH2+]Cc2nc(Br)nn2C)CC1 ZINC000894301329 591271531 /nfs/dbraw/zinc/27/15/31/591271531.db2.gz YEVNEIPNHSWHSO-UHFFFAOYSA-N 2 0 330.274 1.789 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N(C)[C@H]2CCC[NH+](C)C2)CCCO1 ZINC000894447891 591314183 /nfs/dbraw/zinc/31/41/83/591314183.db2.gz ISYOHVGWWWINBC-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896291542 591417064 /nfs/dbraw/zinc/41/70/64/591417064.db2.gz CPYQCKLIZUGWHR-QAPCUYQASA-N 2 0 331.460 1.344 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCC(C)(C)O1 ZINC000898647118 591457151 /nfs/dbraw/zinc/45/71/51/591457151.db2.gz PVZYVQNTGSYQTC-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP Cc1[nH+]c2cc(N[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C(CO)CO ZINC000894919394 591475076 /nfs/dbraw/zinc/47/50/76/591475076.db2.gz PPTSJUFCCZLJGE-DOMZBBRYSA-N 2 0 332.448 1.765 20 0 EDADRP CC[NH+]1CCC(Nc2ccc3c(c2)[nH+]c(C)n3C(CO)CO)CC1 ZINC000894924050 591478472 /nfs/dbraw/zinc/47/84/72/591478472.db2.gz ZVZQGTMNMKBGLI-UHFFFAOYSA-N 2 0 332.448 1.767 20 0 EDADRP CO[C@H](C[NH2+][C@H]1CCc2ncc(Br)n2C1)[C@@H]1CCOC1 ZINC000898720912 591484099 /nfs/dbraw/zinc/48/40/99/591484099.db2.gz OHRRJUNVAKXTFH-GRYCIOLGSA-N 2 0 344.253 1.602 20 0 EDADRP CN(C)Cc1csc(CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)n1 ZINC000896595509 591546059 /nfs/dbraw/zinc/54/60/59/591546059.db2.gz VDHFOHBTNYORRS-ZDUSSCGKSA-N 2 0 325.482 1.440 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000896626053 591553263 /nfs/dbraw/zinc/55/32/63/591553263.db2.gz KYYHCPSQPMPBBB-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC3CC([NH+](C)C)C3)ccc2[nH]c1=O ZINC000897667287 591615504 /nfs/dbraw/zinc/61/55/04/591615504.db2.gz NDZAYYNHQRVUHE-UHFFFAOYSA-N 2 0 345.447 1.126 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000898993406 591633210 /nfs/dbraw/zinc/63/32/10/591633210.db2.gz PTVUYHVMPUKHQY-OAGGEKHMSA-N 2 0 328.501 1.059 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CC[C@@H]2[C@@H]1CCC[NH+]2CCO)C1CC1 ZINC000895282116 591699962 /nfs/dbraw/zinc/69/99/62/591699962.db2.gz MHBCKIAQSNAFNC-SJORKVTESA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)ccc21 ZINC000897910418 591718481 /nfs/dbraw/zinc/71/84/81/591718481.db2.gz XSDFSPQMTOAKND-AEFFLSMTSA-N 2 0 329.444 1.895 20 0 EDADRP C[NH+]1CCC(C[NH+]2CC(C)(c3nnc(C4CCOCC4)o3)C2)CC1 ZINC000895485676 591778367 /nfs/dbraw/zinc/77/83/67/591778367.db2.gz CBJRBQVMMQLOIX-UHFFFAOYSA-N 2 0 334.464 1.879 20 0 EDADRP CCOC(=O)c1cc(CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)on1 ZINC000895558689 591801360 /nfs/dbraw/zinc/80/13/60/591801360.db2.gz ZDIVHJOWSDAHOO-ZDUSSCGKSA-N 2 0 330.388 1.957 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)C1 ZINC000899961402 591840313 /nfs/dbraw/zinc/84/03/13/591840313.db2.gz OSLAAXXVGWOTSP-CRAIPNDOSA-N 2 0 335.448 1.380 20 0 EDADRP CC[N@@H+]1CC[C@@H](NCc2cccc(N(C)S(C)(=O)=O)c2)[C@H](C)C1 ZINC000898285088 591853096 /nfs/dbraw/zinc/85/30/96/591853096.db2.gz SCSKZNSCADMFFJ-RHSMWYFYSA-N 2 0 339.505 1.902 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C[C@@]2(O)CCC[N@H+](C)C2)[NH+](C)C)cc1 ZINC000900012852 591862861 /nfs/dbraw/zinc/86/28/61/591862861.db2.gz DEULKTAANYWKEQ-QUCCMNQESA-N 2 0 347.503 1.815 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1(C)C ZINC000898372343 591897115 /nfs/dbraw/zinc/89/71/15/591897115.db2.gz OWQHPNLTLWMUJO-VXGBXAGGSA-N 2 0 339.871 1.877 20 0 EDADRP COCC[C@@H]1CCN(CN2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)C1=O ZINC000902196858 591943407 /nfs/dbraw/zinc/94/34/07/591943407.db2.gz TUGRYAGILRSOMD-LUKYLMHMSA-N 2 0 339.480 1.012 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)([NH+](C)C)C1 ZINC000900319929 591989640 /nfs/dbraw/zinc/98/96/40/591989640.db2.gz AVZQJBTVJCKIIX-KBAYOESNSA-N 2 0 325.497 1.460 20 0 EDADRP [NH3+]CCCC[C@@H]([NH2+]C[C@H](O)Cn1ccnn1)c1ccc(F)cc1F ZINC000902390378 591989907 /nfs/dbraw/zinc/98/99/07/591989907.db2.gz LHDRQDJVFZCPDK-XJKSGUPXSA-N 2 0 339.390 1.377 20 0 EDADRP [NH3+]C1CCC([NH2+][C@H]2Cc3cc(Br)cnc3NC2=O)CC1 ZINC000902458111 591999993 /nfs/dbraw/zinc/99/99/93/591999993.db2.gz TUTFWCXROMCIII-MCIGGMRASA-N 2 0 339.237 1.567 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)nc[nH]1 ZINC000902503400 592003445 /nfs/dbraw/zinc/00/34/45/592003445.db2.gz XJGIANFZDNFRTD-XUWVNRHRSA-N 2 0 331.464 1.661 20 0 EDADRP [NH3+][C@H]1C[C@H]2COC[C@@H](C1)[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902502325 592003783 /nfs/dbraw/zinc/00/37/83/592003783.db2.gz TYNLYWGHTYBDIT-LHDNEYJPSA-N 3 0 343.471 1.584 20 0 EDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@H]1CCN(c3cn[nH]c(=O)c3Cl)C1)[NH2+]2 ZINC000902521305 592010509 /nfs/dbraw/zinc/01/05/09/592010509.db2.gz RCEUEAYYUULYJY-SJHCENCUSA-N 2 0 337.855 1.533 20 0 EDADRP [NH2+]=C(NOCc1cncc(C(F)(F)F)c1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807733 592063717 /nfs/dbraw/zinc/06/37/17/592063717.db2.gz OXDWUTXTRAZKKA-QWHCGFSZSA-N 2 0 344.337 1.962 20 0 EDADRP CCO[C@H]1CCC[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000903018081 592097036 /nfs/dbraw/zinc/09/70/36/592097036.db2.gz WZJVZAXBQFSBNN-ROUUACIJSA-N 2 0 339.524 1.720 20 0 EDADRP c1ccc(N2CCN(CCC[NH2+][C@H]3CCO[C@@]34CCOC4)CC2)cc1 ZINC000903061100 592111538 /nfs/dbraw/zinc/11/15/38/592111538.db2.gz AGZSDGFXJYGOIJ-VQTJNVASSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@H](NC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000900801536 592143026 /nfs/dbraw/zinc/14/30/26/592143026.db2.gz BLYKBNVFEOTNKS-YOEHRIQHSA-N 2 0 343.475 1.655 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)C1 ZINC000903513068 592191773 /nfs/dbraw/zinc/19/17/73/592191773.db2.gz PNXWELOKQOVPND-RWQQGDIJSA-N 2 0 348.535 1.392 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@H](c2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000903565001 592212067 /nfs/dbraw/zinc/21/20/67/592212067.db2.gz BTIZVUSMDCXHAB-CQSZACIVSA-N 2 0 348.516 1.633 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000906649321 592233765 /nfs/dbraw/zinc/23/37/65/592233765.db2.gz COXGCUVKAWOEJJ-AWEZNQCLSA-N 2 0 330.432 1.172 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CN1CC[NH2+]C[C@H]1c1ccccc1 ZINC000904371285 592240239 /nfs/dbraw/zinc/24/02/39/592240239.db2.gz LRLPSMMTXCVIDV-SFHVURJKSA-N 2 0 326.444 1.836 20 0 EDADRP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccccc1-n1cncn1)CC2 ZINC000904392742 592243350 /nfs/dbraw/zinc/24/33/50/592243350.db2.gz YRKSILVESWUYHQ-INIZCTEOSA-N 2 0 327.432 1.597 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906670296 592251826 /nfs/dbraw/zinc/25/18/26/592251826.db2.gz LAYJACMLNOZPAJ-INIZCTEOSA-N 2 0 346.475 1.810 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)CC1 ZINC000901134845 592252812 /nfs/dbraw/zinc/25/28/12/592252812.db2.gz IYYDHAIORODDTG-QZTJIDSGSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1csc(C[C@@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904432621 592254948 /nfs/dbraw/zinc/25/49/48/592254948.db2.gz DFXOXZPDQOTBQH-GJZGRUSLSA-N 2 0 336.505 1.513 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000906679547 592260963 /nfs/dbraw/zinc/26/09/63/592260963.db2.gz ULEOIWVMLRYOTM-HNNXBMFYSA-N 2 0 346.475 1.808 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000906704775 592276756 /nfs/dbraw/zinc/27/67/56/592276756.db2.gz JEFVJQMBTYEQEX-INIZCTEOSA-N 2 0 346.475 1.581 20 0 EDADRP COC(=O)CC[N@H+](C[C@H]1CCCO1)C[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000903753781 592297111 /nfs/dbraw/zinc/29/71/11/592297111.db2.gz YDCNMFTUJWECBW-HZPDHXFCSA-N 2 0 340.464 1.189 20 0 EDADRP C([C@@H]1CCCC[N@@H+]1C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903735874 592298854 /nfs/dbraw/zinc/29/88/54/592298854.db2.gz DVKGXFMGZHHEPT-ROUUACIJSA-N 2 0 337.508 1.332 20 0 EDADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740143 592301141 /nfs/dbraw/zinc/30/11/41/592301141.db2.gz SEFWTWSBMCAXFN-HOTGVXAUSA-N 2 0 345.491 1.562 20 0 EDADRP Cc1ccnc(NC[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)c1 ZINC000903739914 592301887 /nfs/dbraw/zinc/30/18/87/592301887.db2.gz BBRBSAKYUAULOM-JENIJYKNSA-N 2 0 330.476 1.892 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H]2CCCCC[NH2+]2)ccc1C[NH+](C)C ZINC000906737496 592302524 /nfs/dbraw/zinc/30/25/24/592302524.db2.gz CWWLJHJTAATHCA-QGZVFWFLSA-N 2 0 346.475 1.644 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794013 592316834 /nfs/dbraw/zinc/31/68/34/592316834.db2.gz MXUHDTVNGOTNKO-AWEZNQCLSA-N 2 0 344.459 1.356 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H]2CCCS(=O)(=O)C2)CC1 ZINC000903793872 592316966 /nfs/dbraw/zinc/31/69/66/592316966.db2.gz WLIISPHVECLDDS-MRXNPFEDSA-N 2 0 336.501 1.804 20 0 EDADRP COCC[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)CC1CC[NH+](C)CC1 ZINC000903776801 592319630 /nfs/dbraw/zinc/31/96/30/592319630.db2.gz WFBOUVSTZPRTGN-SFHVURJKSA-N 3 0 339.524 1.435 20 0 EDADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903780802 592320440 /nfs/dbraw/zinc/32/04/40/592320440.db2.gz LVMRXLNUTHNDDI-MLHJIOFPSA-N 2 0 337.508 1.508 20 0 EDADRP Cc1nc(CC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)no1 ZINC000903786482 592322011 /nfs/dbraw/zinc/32/20/11/592322011.db2.gz JSTZTQNDLSSCHP-INIZCTEOSA-N 2 0 334.464 1.791 20 0 EDADRP O=S1(=O)CCCN1CC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000903789482 592323149 /nfs/dbraw/zinc/32/31/49/592323149.db2.gz YDNZARZMNTYKMK-HNNXBMFYSA-N 2 0 329.510 1.124 20 0 EDADRP FC(F)(F)c1ccnc([C@H]2CC[N@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n1 ZINC000903825696 592333831 /nfs/dbraw/zinc/33/38/31/592333831.db2.gz COKYROYNRQJBMK-RYUDHWBXSA-N 2 0 342.365 1.806 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cnn1C ZINC000903891092 592352382 /nfs/dbraw/zinc/35/23/82/592352382.db2.gz JNZIGQRIRQPLAJ-IEBWSBKVSA-N 2 0 349.523 1.033 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)cnn1C ZINC000903893251 592366699 /nfs/dbraw/zinc/36/66/99/592366699.db2.gz TVEZNVFTPWFANT-IAGOWNOFSA-N 2 0 347.507 1.180 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905034502 592372895 /nfs/dbraw/zinc/37/28/95/592372895.db2.gz KLPLPRTWLRDMBP-GOSISDBHSA-N 2 0 341.446 1.930 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cnn1C ZINC000903909926 592375270 /nfs/dbraw/zinc/37/52/70/592375270.db2.gz INQSRNYNDGRJBQ-MAUKXSAKSA-N 2 0 336.480 1.116 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](c3nccn3C)C2)cnn1C ZINC000903913973 592376053 /nfs/dbraw/zinc/37/60/53/592376053.db2.gz QYDMDMPSDIUQIU-CVEARBPZSA-N 2 0 330.480 1.459 20 0 EDADRP COc1ccc(OCC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1 ZINC000903920674 592376723 /nfs/dbraw/zinc/37/67/23/592376723.db2.gz KTHPACOLZBRLJD-AWEZNQCLSA-N 2 0 331.420 1.380 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cnn1C ZINC000903924251 592379824 /nfs/dbraw/zinc/37/98/24/592379824.db2.gz AMYRFEUOMDAYKY-INIZCTEOSA-N 3 0 347.482 1.836 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CC[C@@H](O)[C@H](C3CCCC3)C2)cnn1C ZINC000903930283 592382775 /nfs/dbraw/zinc/38/27/75/592382775.db2.gz WGXWDSNSJMLKPL-AYOQOUSVSA-N 2 0 334.508 1.719 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCC1)C[C@]1(O)CCOC1 ZINC000905023303 592383332 /nfs/dbraw/zinc/38/33/32/592383332.db2.gz FXCQLLCAOCWTGN-RTBURBONSA-N 2 0 334.460 1.274 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931425 592384304 /nfs/dbraw/zinc/38/43/04/592384304.db2.gz DHPSVOLWSSZECY-WMZOPIPTSA-N 3 0 333.524 1.558 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[C@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933138 592385168 /nfs/dbraw/zinc/38/51/68/592385168.db2.gz YWUAPSSJJYLLRP-HKUYNNGSSA-N 3 0 349.523 1.033 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)COc1ccc2cc[nH]c2c1 ZINC000905094128 592420096 /nfs/dbraw/zinc/42/00/96/592420096.db2.gz CZCHXNIGJOHYPY-DOTOQJQBSA-N 2 0 346.475 1.133 20 0 EDADRP C[C@@H](NC(C)(C)C[NH2+]C[C@@H](O)C1(O)CCOCC1)c1ccccc1 ZINC000905095232 592420309 /nfs/dbraw/zinc/42/03/09/592420309.db2.gz CIWMZDIQMOUHBE-NVXWUHKLSA-N 2 0 336.476 1.608 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCCCC[C@@H]3[NH3+])n2)CC1 ZINC000904111618 592428937 /nfs/dbraw/zinc/42/89/37/592428937.db2.gz HUKQFBHIEUJNEJ-CABCVRRESA-N 2 0 349.479 1.540 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905145191 592436816 /nfs/dbraw/zinc/43/68/16/592436816.db2.gz BYGQRJZPNIDLFU-RTBURBONSA-N 2 0 335.492 1.087 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C2CN(C)CC[NH+](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000906972571 592444813 /nfs/dbraw/zinc/44/48/13/592444813.db2.gz OPZYZGMURIGBNP-QFBILLFUSA-N 2 0 344.503 1.259 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)C1 ZINC000907089770 592515977 /nfs/dbraw/zinc/51/59/77/592515977.db2.gz GNHFGVNUPSPFSB-BSDSXHPESA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[N@H+](C)C3(CCCCC3)C2)CC1 ZINC000908573792 592544847 /nfs/dbraw/zinc/54/48/47/592544847.db2.gz QPYPFCVHUBJMNF-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COC(C)C)C2)[C@@H]1C(C)C ZINC000905502905 592546106 /nfs/dbraw/zinc/54/61/06/592546106.db2.gz LWWOQGYUOZKPMJ-OBVSXPTNSA-N 2 0 328.497 1.232 20 0 EDADRP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000905505515 592547360 /nfs/dbraw/zinc/54/73/60/592547360.db2.gz PJUPJVWNBZZHDA-RBSFLKMASA-N 2 0 327.469 1.288 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)N3CCN(C)CC3(C)C)co2)C1 ZINC000907182630 592549224 /nfs/dbraw/zinc/54/92/24/592549224.db2.gz HBTMKLHYKISIKJ-ZDUSSCGKSA-N 2 0 336.436 1.062 20 0 EDADRP Cc1[nH+]ccc(N2CCC[C@@H](C(=O)NCC[NH3+])C2)c1Br ZINC000905627071 592589796 /nfs/dbraw/zinc/58/97/96/592589796.db2.gz YVZBWZSWAVIPLY-LLVKDONJSA-N 2 0 341.253 1.444 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000905632604 592591543 /nfs/dbraw/zinc/59/15/43/592591543.db2.gz FYDAESJGLFWDLB-RBSFLKMASA-N 2 0 342.578 1.515 20 0 EDADRP Cc1[nH+]ccc(NCc2cn([C@H]3CC[NH2+]C3)nn2)c1Br ZINC000905646143 592603368 /nfs/dbraw/zinc/60/33/68/592603368.db2.gz YWIOGAAMJDCGGK-NSHDSACASA-N 2 0 337.225 1.312 20 0 EDADRP Cc1[nH+]ccc(N2CC[C@H](n3cc(C[NH3+])nn3)C2)c1Br ZINC000905645254 592603471 /nfs/dbraw/zinc/60/34/71/592603471.db2.gz QWAZFCVDLOHMLL-NSHDSACASA-N 2 0 337.225 1.654 20 0 EDADRP CCOC(=O)c1ccc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc1 ZINC000905701960 592615634 /nfs/dbraw/zinc/61/56/34/592615634.db2.gz ANHVBLJSGUVOGG-CALCHBBNSA-N 2 0 344.459 1.663 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)C1 ZINC000907780365 592792020 /nfs/dbraw/zinc/79/20/20/592792020.db2.gz BPMLRXCJISWIDC-IBGZPJMESA-N 2 0 344.459 1.820 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000907928276 592848814 /nfs/dbraw/zinc/84/88/14/592848814.db2.gz BCGQUEQAJGDCRD-GOSISDBHSA-N 2 0 338.540 1.735 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000910863206 592897881 /nfs/dbraw/zinc/89/78/81/592897881.db2.gz QADQRJXXIUHLHV-UHFFFAOYSA-N 2 0 327.513 1.660 20 0 EDADRP C/C(=C/C(=O)NCCc1cn2c(cccc2C)n1)CN1CCOCC1 ZINC000911610318 592959773 /nfs/dbraw/zinc/95/97/73/592959773.db2.gz VPUZCCYDOAUQRV-QINSGFPZSA-N 2 0 342.443 1.580 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccc2c1OCC[NH2+]C2 ZINC000911666665 592974215 /nfs/dbraw/zinc/97/42/15/592974215.db2.gz ZZOVMTKRQNOTEC-INIZCTEOSA-N 2 0 341.411 1.607 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)C(=O)N(C)CC(C)(C)C[NH+](C)C)cc1 ZINC000911298993 592983756 /nfs/dbraw/zinc/98/37/56/592983756.db2.gz QEENFJKZPVKJQF-AWEZNQCLSA-N 2 0 348.491 1.369 20 0 EDADRP [NH3+]C1CC(CC(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000911735057 592992564 /nfs/dbraw/zinc/99/25/64/592992564.db2.gz CWPTXHZVFBISPX-UHFFFAOYSA-N 2 0 331.416 1.661 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[NH2+][C@@H]([C@H]2CCCO2)C1 ZINC000911811197 593015485 /nfs/dbraw/zinc/01/54/85/593015485.db2.gz RHMCXMZFMIQGIE-ZTFGCOKTSA-N 2 0 329.444 1.818 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cnc(CC3CC[NH2+]CC3)s2)[C@@H]1C[NH3+] ZINC000911826747 593017784 /nfs/dbraw/zinc/01/77/84/593017784.db2.gz RSSNCRGSRQINMD-TZMCWYRMSA-N 2 0 336.505 1.885 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1 ZINC000911869665 593024606 /nfs/dbraw/zinc/02/46/06/593024606.db2.gz ZMGMOOJHIBEJOX-SDMNGIDPSA-N 2 0 331.460 1.851 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000817902651 593647421 /nfs/dbraw/zinc/64/74/21/593647421.db2.gz WIKFUEVJGSSXBB-CMPLNLGQSA-N 2 0 343.415 1.408 20 0 EDADRP C[C@H](CC(=O)Nc1cccnc1Cl)[NH2+]CCCN1CC[NH2+]CC1 ZINC000817937538 593650524 /nfs/dbraw/zinc/65/05/24/593650524.db2.gz XLZCJLKEVXRHBF-CYBMUJFWSA-N 2 0 339.871 1.337 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@](O)(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000818167229 593676710 /nfs/dbraw/zinc/67/67/10/593676710.db2.gz RPDVWFKBHKJLAQ-RLFYNMQTSA-N 2 0 339.480 1.290 20 0 EDADRP Cc1cc(F)ccc1[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000819003808 593733428 /nfs/dbraw/zinc/73/34/28/593733428.db2.gz HIXYZEXAUZOUFR-PBHICJAKSA-N 2 0 337.439 1.345 20 0 EDADRP C[NH+](C)CCOc1ccc(NC[C@@H](O)C[N@H+](C)C2CC2)cc1F ZINC000819491360 593756722 /nfs/dbraw/zinc/75/67/22/593756722.db2.gz DZTITYYYODOXDT-OAHLLOKOSA-N 2 0 325.428 1.633 20 0 EDADRP C[NH+]1CCC(OCC(=O)Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1 ZINC000819973382 593780381 /nfs/dbraw/zinc/78/03/81/593780381.db2.gz HFMHBESOMJVXRX-KRWDZBQOSA-N 2 0 347.459 1.303 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)cn1 ZINC000821501618 593847741 /nfs/dbraw/zinc/84/77/41/593847741.db2.gz ZVXQZKOJAHWWMB-CQSZACIVSA-N 2 0 336.484 1.687 20 0 EDADRP CNC(=O)c1cccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)c1 ZINC000820810812 593895052 /nfs/dbraw/zinc/89/50/52/593895052.db2.gz FPMSKIJPMAQGFW-YQQQUEKLSA-N 2 0 345.487 1.820 20 0 EDADRP CC(C)[C@H](c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1)[C@@H](C)[NH3+] ZINC000822980200 594131647 /nfs/dbraw/zinc/13/16/47/594131647.db2.gz FXHGCJPFUGNIJZ-CJNGLKHVSA-N 2 0 344.463 1.970 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000825181575 594143065 /nfs/dbraw/zinc/14/30/65/594143065.db2.gz URMJCBRQMNRZKH-UHFFFAOYSA-N 2 0 333.476 1.580 20 0 EDADRP Cn1c2ccc(CN3CCC([N@@H+]4CC[C@H](O)C4)CC3)cc2oc1=O ZINC000827700431 594260247 /nfs/dbraw/zinc/26/02/47/594260247.db2.gz STRDAUFJTPIYPG-HNNXBMFYSA-N 2 0 331.416 1.163 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)COC1CC[NH+](C)CC1 ZINC000829792343 594265359 /nfs/dbraw/zinc/26/53/59/594265359.db2.gz WTMAQPBZNMYIFA-HNNXBMFYSA-N 2 0 332.448 1.230 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCN(C=O)CC2)CC1 ZINC000827872501 594293941 /nfs/dbraw/zinc/29/39/41/594293941.db2.gz WEYRRSAAMSNMMB-UHFFFAOYSA-N 2 0 344.503 1.883 20 0 EDADRP CC1=C(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCN1C(C)C ZINC000827892776 594299159 /nfs/dbraw/zinc/29/91/59/594299159.db2.gz SDHTWGVGWSBRRC-IAGOWNOFSA-N 2 0 336.524 1.572 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(C3CC3)[nH]c2=O)C[C@H]1C[NH+](C)C ZINC000827892728 594299179 /nfs/dbraw/zinc/29/91/79/594299179.db2.gz RDUWSRMMNGVXNA-HUUCEWRRSA-N 2 0 346.475 1.476 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@H]([NH3+])C3CC3)cc2)C1 ZINC000828139309 594350085 /nfs/dbraw/zinc/35/00/85/594350085.db2.gz PNSBOJZKRDAEGA-WBVHZDCISA-N 2 0 344.459 1.450 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)C1 ZINC000826628873 594543156 /nfs/dbraw/zinc/54/31/56/594543156.db2.gz GPOAHFKSEXHTHX-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000831138338 594566197 /nfs/dbraw/zinc/56/61/97/594566197.db2.gz RLERXYOMLGWXKI-IAGOWNOFSA-N 2 0 340.512 1.573 20 0 EDADRP C[C@@H](C(=O)N(C)CC[NH+]1CC2(C1)CCOCC2)[NH+]1[C@H](C)CC[C@H]1C ZINC000829272904 594590968 /nfs/dbraw/zinc/59/09/68/594590968.db2.gz MNYFKNWZRCTORH-ZACQAIPSSA-N 2 0 337.508 1.819 20 0 EDADRP [NH3+]CCCCCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000831253512 594592288 /nfs/dbraw/zinc/59/22/88/594592288.db2.gz RZXQDFCBHKZAJK-UHFFFAOYSA-N 2 0 326.485 1.259 20 0 EDADRP CCO[C@H](CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831756400 594700005 /nfs/dbraw/zinc/70/00/05/594700005.db2.gz HSHAZKCYCCVUDX-RBUKOAKNSA-N 2 0 347.503 1.982 20 0 EDADRP CCO[C@@H](CNC(=O)C1CC[NH+](Cc2ccccc2)CC1)C[NH+](C)C ZINC000831757389 594700066 /nfs/dbraw/zinc/70/00/66/594700066.db2.gz PIVAAPJJVHTUGM-IBGZPJMESA-N 2 0 347.503 1.982 20 0 EDADRP CN(C[C@H](O)C[NH+]1CCCC1)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000831819250 594705070 /nfs/dbraw/zinc/70/50/70/594705070.db2.gz ZQAKOLZYCARZHH-HNNXBMFYSA-N 2 0 341.496 1.822 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CCC(C)([NH+]3CCCCC3)CC2)CC1 ZINC000832239110 594737219 /nfs/dbraw/zinc/73/72/19/594737219.db2.gz WIMIXYFEWGPKDO-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3cccc(OCC[NH3+])c3)CC[C@@H]21 ZINC000841284349 594881114 /nfs/dbraw/zinc/88/11/14/594881114.db2.gz GRYRGMYHKSBEKW-PBHICJAKSA-N 2 0 332.448 1.972 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327208 594885532 /nfs/dbraw/zinc/88/55/32/594885532.db2.gz FBDWZYXCRFTKPG-JKSUJKDBSA-N 2 0 346.431 1.153 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000841790561 594953497 /nfs/dbraw/zinc/95/34/97/594953497.db2.gz FZNKPXQALZBCLE-XKQJLSEDSA-N 2 0 332.448 1.369 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000841791465 594953599 /nfs/dbraw/zinc/95/35/99/594953599.db2.gz XJRWMCDHQMJJRY-ZACQAIPSSA-N 2 0 336.480 1.023 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1 ZINC000841845902 594963790 /nfs/dbraw/zinc/96/37/90/594963790.db2.gz BAPRRHNDMFLSPD-ZACQAIPSSA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847525 594964844 /nfs/dbraw/zinc/96/48/44/594964844.db2.gz PWRKBJSOYDBFMJ-GFCCVEGCSA-N 2 0 331.416 1.674 20 0 EDADRP O=C(N1CCC2(C1)CC[NH2+]CC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000841849414 594965270 /nfs/dbraw/zinc/96/52/70/594965270.db2.gz RYAIBBHAKMJXBD-UHFFFAOYSA-N 2 0 327.472 1.910 20 0 EDADRP COCCS(=O)(=O)CCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000843386298 595096723 /nfs/dbraw/zinc/09/67/23/595096723.db2.gz FJRCSDPFAFXDCX-HOTGVXAUSA-N 2 0 332.510 1.149 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000842514031 595124548 /nfs/dbraw/zinc/12/45/48/595124548.db2.gz ZIRWWYKCGQKBHO-MJGOQNOKSA-N 2 0 328.460 1.648 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000837766384 595190739 /nfs/dbraw/zinc/19/07/39/595190739.db2.gz DLRZTKBBWQPNJS-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP OCCCN1CCC[C@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843085997 595283656 /nfs/dbraw/zinc/28/36/56/595283656.db2.gz FFWLECNYIZXXAS-XJKSGUPXSA-N 2 0 330.831 1.949 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NCc1ccc(N2CCCCC2)nc1 ZINC000844169442 595289924 /nfs/dbraw/zinc/28/99/24/595289924.db2.gz DEZOHPYCGLBWQS-INIZCTEOSA-N 2 0 332.448 1.457 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000844171986 595291037 /nfs/dbraw/zinc/29/10/37/595291037.db2.gz SPVRNLKGWCNPCA-DKIMLUQUSA-N 2 0 335.492 1.667 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844173308 595291532 /nfs/dbraw/zinc/29/15/32/595291532.db2.gz TZNXUPVHQIGMAS-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP CC[NH2+]CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000844185584 595295919 /nfs/dbraw/zinc/29/59/19/595295919.db2.gz MSUDSTDQLUHTQV-UHFFFAOYSA-N 2 0 339.867 1.909 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000846726224 595308374 /nfs/dbraw/zinc/30/83/74/595308374.db2.gz SSEQNIANCSEEJM-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C[C@@H]2C1 ZINC000848103279 595319090 /nfs/dbraw/zinc/31/90/90/595319090.db2.gz LFRYRPUAMSMYKE-IXDOHACOSA-N 2 0 337.533 1.614 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)[C@@H]3CCC(=O)NC3=O)C2)s1 ZINC000844327355 595325162 /nfs/dbraw/zinc/32/51/62/595325162.db2.gz QCJMSGXOLIXNCY-DZGCQCFKSA-N 2 0 335.473 1.615 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NC[C@@H](O)COc1c(C)cccc1C ZINC000849066385 595477052 /nfs/dbraw/zinc/47/70/52/595477052.db2.gz DPEMMTAOXIBPLX-IAGOWNOFSA-N 2 0 348.491 1.641 20 0 EDADRP [NH2+]=C(NC[C@H]1CCC[C@@H]1O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849100023 595481584 /nfs/dbraw/zinc/48/15/84/595481584.db2.gz PQGGOBYNBSVTPZ-AEFFLSMTSA-N 2 0 330.476 1.926 20 0 EDADRP [NH2+]=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)N1CCOCC1 ZINC000849100720 595481785 /nfs/dbraw/zinc/48/17/85/595481785.db2.gz VSBRPZATAFPMHL-UHFFFAOYSA-N 2 0 332.448 1.518 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000852796104 595546965 /nfs/dbraw/zinc/54/69/65/595546965.db2.gz NPPBREDZUUFVEZ-ZFWWWQNUSA-N 2 0 349.431 1.286 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2[NH2+]CC23CCOCC3)cc1 ZINC000852824876 595561382 /nfs/dbraw/zinc/56/13/82/595561382.db2.gz HGJCNSUFJDQDSH-SJORKVTESA-N 2 0 331.460 1.695 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C2=NO[C@@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000852854859 595577118 /nfs/dbraw/zinc/57/71/18/595577118.db2.gz RPLPDPKPOVBQOZ-NVXWUHKLSA-N 2 0 346.431 1.052 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000852857828 595579038 /nfs/dbraw/zinc/57/90/38/595579038.db2.gz HIQVBYAANFARKR-WMLDXEAASA-N 2 0 344.459 1.638 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849598332 595587589 /nfs/dbraw/zinc/58/75/89/595587589.db2.gz ZNZUFWPIYAXFAQ-RYQLBKOJSA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC2([NH+](C)C)CC2)[C@H](c2cnn(C)c2)C1 ZINC000849599664 595589110 /nfs/dbraw/zinc/58/91/10/595589110.db2.gz BCGOVSDDTGQWRA-IRXDYDNUSA-N 2 0 347.507 1.444 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2CCC([NH+](C)C)CC2)cn1 ZINC000849603185 595590064 /nfs/dbraw/zinc/59/00/64/595590064.db2.gz CUBZPFYTPMTVLD-ZGUYJTEBSA-N 2 0 347.507 1.444 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000852878496 595595181 /nfs/dbraw/zinc/59/51/81/595595181.db2.gz PCOMUDPOYIJXEW-GZBFAFLISA-N 2 0 327.350 1.482 20 0 EDADRP C[NH+](C)CCCNC(=S)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000853051916 595650045 /nfs/dbraw/zinc/65/00/45/595650045.db2.gz UTEWSWQLYSBYQS-OAHLLOKOSA-N 2 0 342.553 1.388 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cc2)CC1 ZINC000853097794 595664287 /nfs/dbraw/zinc/66/42/87/595664287.db2.gz FKBWAHKFROHGPW-HXUWFJFHSA-N 2 0 340.471 1.652 20 0 EDADRP Fc1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)ccn1 ZINC000858117175 595702907 /nfs/dbraw/zinc/70/29/07/595702907.db2.gz CNGVHUNFYUEJPR-UHFFFAOYSA-N 2 0 329.423 1.918 20 0 EDADRP C[C@@H](CNC(=O)NCCN1C[C@@H](C)OC[C@H]1C)[NH+]1CCCCC1 ZINC000853465158 595758392 /nfs/dbraw/zinc/75/83/92/595758392.db2.gz CMVDIEBBJFTHFU-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850353919 595815917 /nfs/dbraw/zinc/81/59/17/595815917.db2.gz PUAMMMWVQBMHTE-HOTGVXAUSA-N 2 0 342.528 1.857 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[NH+](C)C ZINC000853741447 595868693 /nfs/dbraw/zinc/86/86/93/595868693.db2.gz ICXGHNBULFZZRO-ZBFHGGJFSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3ccnn3C)C2)ccn1 ZINC000856585024 596022109 /nfs/dbraw/zinc/02/21/09/596022109.db2.gz XKTLHCOLDMRQED-LJQANCHMSA-N 2 0 343.475 1.963 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000861552466 596027761 /nfs/dbraw/zinc/02/77/61/596027761.db2.gz NRSPHINSIIGSJQ-OAGGEKHMSA-N 2 0 348.491 1.784 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H]3CNC(=O)C3)C2)ccn1 ZINC000856605498 596032728 /nfs/dbraw/zinc/03/27/28/596032728.db2.gz CKMGWIBSFZHTBE-QAPCUYQASA-N 2 0 346.475 1.511 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCC[C@H]1CC1(Cl)Cl ZINC000856948243 596122640 /nfs/dbraw/zinc/12/26/40/596122640.db2.gz GWEPIHMBPMVVSN-LBPRGKRZSA-N 2 0 339.311 1.705 20 0 EDADRP C[C@@H]1C[C@@H]1C[N@H+](CCCC[NH+](C)[C@H]1CCOC1=O)[C@H]1CCOC1=O ZINC000859741384 596180877 /nfs/dbraw/zinc/18/08/77/596180877.db2.gz HZLRMQWDFDDURN-WCVJEAGWSA-N 2 0 338.448 1.287 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](CCC2SCCS2)C1 ZINC000866711832 596305028 /nfs/dbraw/zinc/30/50/28/596305028.db2.gz OWHILTBQZFWNGP-SDDRHHMPSA-N 2 0 329.491 1.050 20 0 EDADRP [NH3+]CCc1ccc(CNS(=O)(=O)CCC[NH+]2CCCC2)cc1 ZINC000866738278 596316160 /nfs/dbraw/zinc/31/61/60/596316160.db2.gz PBCZBVJSYOFHEM-UHFFFAOYSA-N 2 0 325.478 1.093 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000867810319 596562951 /nfs/dbraw/zinc/56/29/51/596562951.db2.gz YLYARSGUBZRPMP-RDJZCZTQSA-N 2 0 337.489 1.463 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865474054 596585325 /nfs/dbraw/zinc/58/53/25/596585325.db2.gz VQWLCNDIYBURGX-UHFFFAOYSA-N 2 0 331.460 1.469 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCCc2ccncc2)CC1 ZINC000863549766 596614526 /nfs/dbraw/zinc/61/45/26/596614526.db2.gz QRPLPRMWQWGWOC-DLBZAZTESA-N 2 0 330.432 1.271 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000863547191 596614654 /nfs/dbraw/zinc/61/46/54/596614654.db2.gz KNGJNGPGRQIWMB-OLZOCXBDSA-N 2 0 335.370 1.976 20 0 EDADRP CC(C)(C)OC(=O)NCc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000865642535 596636633 /nfs/dbraw/zinc/63/66/33/596636633.db2.gz JAWAKDSDNUURMD-QGZVFWFLSA-N 2 0 349.475 1.868 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CC3(CC3(F)F)C2)C[C@H]1C[NH+](C)C ZINC000870017147 596709581 /nfs/dbraw/zinc/70/95/81/596709581.db2.gz HGDZMGXGWNWJFY-MYMJJRTCSA-N 2 0 329.435 1.620 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(CO)c(F)c2)C[C@H]1C[NH+](C)C ZINC000870019058 596710828 /nfs/dbraw/zinc/71/08/28/596710828.db2.gz OFWSFIUNIKWNAP-HZPDHXFCSA-N 2 0 337.439 1.129 20 0 EDADRP CC[C@H]1C[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000870022670 596713079 /nfs/dbraw/zinc/71/30/79/596713079.db2.gz WTWHMANNZYCKBA-VQHPVUNQSA-N 2 0 325.497 1.389 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)COC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000870023246 596713139 /nfs/dbraw/zinc/71/31/39/596713139.db2.gz QENRGWGJZQTWNH-HZPDHXFCSA-N 2 0 325.497 1.534 20 0 EDADRP C[NH2+]C1(CNC(=O)[C@@H](CC[NH+](C)C)NC(=O)OC(C)(C)C)CCC1 ZINC000863921608 596716958 /nfs/dbraw/zinc/71/69/58/596716958.db2.gz IWZJMFQSIIENPB-CYBMUJFWSA-N 2 0 342.484 1.090 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C[NH+]1CCCC1 ZINC000868230076 596736845 /nfs/dbraw/zinc/73/68/45/596736845.db2.gz YSQKZEMPPIQNOG-RRQGHBQHSA-N 2 0 344.459 1.288 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868237255 596740317 /nfs/dbraw/zinc/74/03/17/596740317.db2.gz CILKGRKVWBAIPX-RRQGHBQHSA-N 2 0 344.459 1.240 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ccc(C(F)(F)F)nn2)C[C@H]1C[NH+](C)C ZINC000866011073 596757038 /nfs/dbraw/zinc/75/70/38/596757038.db2.gz VMQALTNGIAPVJY-VXGBXAGGSA-N 2 0 331.386 1.671 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2C3CCC2(C[NH3+])CC3)c1 ZINC000868290725 596769992 /nfs/dbraw/zinc/76/99/92/596769992.db2.gz VMXDCOBWUJWIKY-UHFFFAOYSA-N 2 0 330.432 1.169 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(Cl)ccn2)C[C@H]1C[NH+](C)C ZINC000866041583 596770223 /nfs/dbraw/zinc/77/02/23/596770223.db2.gz WAMDTHRIKSHNCD-CHWSQXEVSA-N 2 0 339.871 1.938 20 0 EDADRP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000872032927 596798679 /nfs/dbraw/zinc/79/86/79/596798679.db2.gz CKGWRRNAXPQRIX-OAGGEKHMSA-N 2 0 325.497 1.757 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@@H]3C[C@@H]4CCC[C@H]4O3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145444 596810494 /nfs/dbraw/zinc/81/04/94/596810494.db2.gz SOISBKZVHOOGSN-PFPDTZPXSA-N 2 0 348.491 1.164 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000872149827 596812819 /nfs/dbraw/zinc/81/28/19/596812819.db2.gz QQTCYJKNLWSCHG-UMVBOHGHSA-N 2 0 331.382 1.807 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156457 596815885 /nfs/dbraw/zinc/81/58/85/596815885.db2.gz JXVFCZKGTBLWTJ-WMLDXEAASA-N 2 0 348.491 1.204 20 0 EDADRP Cc1cc2c(CC[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)c[nH]c2cc1F ZINC000872225689 596843707 /nfs/dbraw/zinc/84/37/07/596843707.db2.gz MVUKFZXWRIOKBA-MRXNPFEDSA-N 2 0 348.466 1.356 20 0 EDADRP C[C@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875578039 596903815 /nfs/dbraw/zinc/90/38/15/596903815.db2.gz XPMDLWSXWPOGOS-YLFCFFPRSA-N 2 0 340.512 1.040 20 0 EDADRP CC(C)O[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000875658952 596936805 /nfs/dbraw/zinc/93/68/05/596936805.db2.gz LRICDTJBOYABSO-VQHPVUNQSA-N 2 0 340.512 1.323 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)CC1 ZINC000875676288 596943520 /nfs/dbraw/zinc/94/35/20/596943520.db2.gz FRBNPCWYWCQEGG-SLTAFYQDSA-N 2 0 326.485 1.004 20 0 EDADRP COc1ccc([C@@H](N[C@H]2CC[N@H+](CC(C)(C)O)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000873235113 597234716 /nfs/dbraw/zinc/23/47/16/597234716.db2.gz JHOONSUBDXXTGS-YTQUADARSA-N 2 0 347.503 1.923 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000875005112 597240577 /nfs/dbraw/zinc/24/05/77/597240577.db2.gz IQXWIGPJWBBLKB-QYZOEREBSA-N 2 0 342.487 1.997 20 0 EDADRP Cc1cccc(CN2CCO[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)c1 ZINC000873267028 597243043 /nfs/dbraw/zinc/24/30/43/597243043.db2.gz VOBZZSBJDMDMKM-VBSBHUPXSA-N 2 0 347.503 1.538 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]Cc1c(I)cnn1C ZINC000873277875 597246351 /nfs/dbraw/zinc/24/63/51/597246351.db2.gz WOOUXOHNDJPEJX-SECBINFHSA-N 2 0 336.221 1.632 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3oc(=O)[nH]c3c2)CC[NH2+]CC1 ZINC000873283605 597248128 /nfs/dbraw/zinc/24/81/28/597248128.db2.gz XRNBKAIMDYBPLI-GFCCVEGCSA-N 2 0 347.415 1.944 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000873329238 597258241 /nfs/dbraw/zinc/25/82/41/597258241.db2.gz ULAUCYPRTMGGTF-HNNXBMFYSA-N 2 0 348.495 1.879 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000876719414 597303697 /nfs/dbraw/zinc/30/36/97/597303697.db2.gz KQPHLQSSLYGRGD-HYXJCQPJSA-N 2 0 331.460 1.655 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)c1 ZINC000876737223 597314083 /nfs/dbraw/zinc/31/40/83/597314083.db2.gz PYRNKAZUKQKVKO-GJZGRUSLSA-N 2 0 325.403 1.983 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000875240826 597348526 /nfs/dbraw/zinc/34/85/26/597348526.db2.gz SKANMOYKBXEZSG-OAHLLOKOSA-N 2 0 340.512 1.469 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876862523 597361756 /nfs/dbraw/zinc/36/17/56/597361756.db2.gz PUJUMZBAAWSQSA-XJNFMUPTSA-N 2 0 337.414 1.583 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000876872633 597364151 /nfs/dbraw/zinc/36/41/51/597364151.db2.gz IOPWMUMASCTBFI-MRXNPFEDSA-N 2 0 333.480 1.719 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000876881145 597367999 /nfs/dbraw/zinc/36/79/99/597367999.db2.gz CCMIVJYMRGLKJR-JFDDCEBESA-N 2 0 328.460 1.718 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876897142 597375882 /nfs/dbraw/zinc/37/58/82/597375882.db2.gz QBQYZMYKTPBQTB-KZNAEPCWSA-N 2 0 345.487 1.767 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876897253 597375962 /nfs/dbraw/zinc/37/59/62/597375962.db2.gz IHZLBHIXVZMTFS-IBGZPJMESA-N 2 0 346.475 1.534 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)C1 ZINC000875346949 597393560 /nfs/dbraw/zinc/39/35/60/597393560.db2.gz TZUORMDQUUHJCX-QLFBSQMISA-N 2 0 326.485 1.004 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH+](C)C ZINC000877144408 597442303 /nfs/dbraw/zinc/44/23/03/597442303.db2.gz LXWKRDHIOUFPIK-KURKYZTESA-N 3 0 338.540 1.482 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000877250093 597479543 /nfs/dbraw/zinc/47/95/43/597479543.db2.gz NHYIUPLVTSAXRO-DZJNRPSUSA-N 2 0 331.460 1.472 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257027 597481648 /nfs/dbraw/zinc/48/16/48/597481648.db2.gz KASBXUYQTPVCSR-BEFAXECRSA-N 2 0 347.507 1.953 20 0 EDADRP O=C(NC[C@@H]1Cc2ccccc2C[NH2+]1)c1cc(C2CC[NH2+]CC2)no1 ZINC000877341190 597495783 /nfs/dbraw/zinc/49/57/83/597495783.db2.gz VIUAHYRYPVVPLT-INIZCTEOSA-N 2 0 340.427 1.586 20 0 EDADRP C[C@@]12CN(C(=O)[C@H](F)[C@@H]3CC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000877352730 597498819 /nfs/dbraw/zinc/49/88/19/597498819.db2.gz JBWZRSYFFMUVNG-AJYBTWMASA-N 2 0 345.462 1.915 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)CC[NH2+]C1 ZINC000877444007 597516237 /nfs/dbraw/zinc/51/62/37/597516237.db2.gz HYKHLWHSWQGQJI-WDYCEAGBSA-N 2 0 337.508 1.759 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@]3(OC)CCOC3)C2)ccn1 ZINC000877645429 597544142 /nfs/dbraw/zinc/54/41/42/597544142.db2.gz KWAZJVJNKCFNLR-RBUKOAKNSA-N 2 0 349.475 1.792 20 0 EDADRP CN(CC[N@H+](C)C[C@H]1CC2(CO1)CCOCC2)C1CC[NH+](C)CC1 ZINC000878311424 597594610 /nfs/dbraw/zinc/59/46/10/597594610.db2.gz KZVNHBYQJNZKMW-GOSISDBHSA-N 2 0 339.524 1.530 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc3oc(=O)oc3c2)CC1 ZINC000882979862 597605385 /nfs/dbraw/zinc/60/53/85/597605385.db2.gz PNRNEUNCLKIXSJ-AWEZNQCLSA-N 2 0 333.432 1.749 20 0 EDADRP C[NH+]1CC[C@@H]2CN(C/C=C\CN3CC[C@@H]4[C@H](CC[N@H+]4C)C3)CC[C@H]21 ZINC000879577942 597640605 /nfs/dbraw/zinc/64/06/05/597640605.db2.gz OREFNVBZFSWAOG-DNEJTPGNSA-N 2 0 332.536 1.595 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@H](O)C[C@H](O)c3ccccc3)CC2)CC1 ZINC000879594579 597649742 /nfs/dbraw/zinc/64/97/42/597649742.db2.gz MXTLBWZWHMCQBU-UXHICEINSA-N 2 0 347.503 1.183 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](CCCC(=O)OC(C)(C)C)CC2)CC1 ZINC000879597146 597651392 /nfs/dbraw/zinc/65/13/92/597651392.db2.gz VYVLTVVXYABRII-UHFFFAOYSA-N 2 0 325.497 1.820 20 0 EDADRP COC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@H]1CCCOC1 ZINC000883185592 597680298 /nfs/dbraw/zinc/68/02/98/597680298.db2.gz ANMRJLHFGWLSHE-ROUUACIJSA-N 2 0 327.513 1.291 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CC1(O)CCS(=O)(=O)CC1 ZINC000879704704 597695483 /nfs/dbraw/zinc/69/54/83/597695483.db2.gz UDZCRQLFMPJFCL-UHFFFAOYSA-N 2 0 346.537 1.226 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H]1CCC2(CCOCC2)O1 ZINC000883427272 597743556 /nfs/dbraw/zinc/74/35/56/597743556.db2.gz MTGPJRZFCKGJIM-JKSUJKDBSA-N 2 0 339.480 1.034 20 0 EDADRP CCOC(=O)c1sc([C@@H]2CC[N@H+](CCOCC[NH3+])C2)nc1C ZINC000883448664 597750843 /nfs/dbraw/zinc/75/08/43/597750843.db2.gz MSGFNPVNMJRHIX-GFCCVEGCSA-N 2 0 327.450 1.393 20 0 EDADRP CC(C)(O)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879964301 597787157 /nfs/dbraw/zinc/78/71/57/597787157.db2.gz WQVSPEKXGWMSHG-BJWYYQGGSA-N 2 0 342.524 1.313 20 0 EDADRP CC(C)(O)[C@H]1CCC[NH+](CC(O)C[N@H+]2CCC[C@H](C(C)(C)O)C2)C1 ZINC000879964302 597787277 /nfs/dbraw/zinc/78/72/77/597787277.db2.gz WQVSPEKXGWMSHG-HOTGVXAUSA-N 2 0 342.524 1.313 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C1 ZINC000883586599 597814998 /nfs/dbraw/zinc/81/49/98/597814998.db2.gz OLZQURIXJGFBGC-AEFFLSMTSA-N 2 0 343.475 1.797 20 0 EDADRP CC(C)(O)[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@H](C(C)(C)O)C3)COC2)C1 ZINC000880148056 597857572 /nfs/dbraw/zinc/85/75/72/597857572.db2.gz PXLSAPLZUWLYSS-HOTGVXAUSA-N 2 0 340.508 1.189 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@H](O)COC[C@@H]1CCCO1)CC2 ZINC000879248439 597864095 /nfs/dbraw/zinc/86/40/95/597864095.db2.gz ONUKESSULNUPPZ-IRXDYDNUSA-N 2 0 326.481 1.351 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883701900 597868005 /nfs/dbraw/zinc/86/80/05/597868005.db2.gz YYTBMCXWGIUQCP-HNNXBMFYSA-N 2 0 340.512 1.658 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000880225816 597877042 /nfs/dbraw/zinc/87/70/42/597877042.db2.gz YDULLDKZAVVFRE-PUZFROQSSA-N 2 0 345.487 1.615 20 0 EDADRP CC1([NH+]2CCC2)CCN(C(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC000882508338 597981563 /nfs/dbraw/zinc/98/15/63/597981563.db2.gz AUVWNJSRXKCBGM-UHFFFAOYSA-N 2 0 325.416 1.968 20 0 EDADRP C[NH+]1CCC(NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)CC1 ZINC000884177404 598015766 /nfs/dbraw/zinc/01/57/66/598015766.db2.gz IRQOETKRPDUENC-CYBMUJFWSA-N 2 0 326.238 1.659 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884188239 598019545 /nfs/dbraw/zinc/01/95/45/598019545.db2.gz CCWXIMBPYLUONP-OAHLLOKOSA-N 2 0 331.464 1.095 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884192657 598021752 /nfs/dbraw/zinc/02/17/52/598021752.db2.gz KVTYSQROLQLAIB-MFKMUULPSA-N 2 0 326.238 1.517 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000884204867 598028011 /nfs/dbraw/zinc/02/80/11/598028011.db2.gz GORGLYBHLKNSFD-OAHLLOKOSA-N 2 0 332.448 1.761 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]([NH3+])CC3CC3)ccc2oc1=O ZINC000884206355 598028428 /nfs/dbraw/zinc/02/84/28/598028428.db2.gz SKDPQFXBDNTNLL-ZDUSSCGKSA-N 2 0 332.404 1.222 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884221381 598033480 /nfs/dbraw/zinc/03/34/80/598033480.db2.gz QNBXVTXKDHDXLK-QGZVFWFLSA-N 2 0 345.491 1.486 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000884223578 598035308 /nfs/dbraw/zinc/03/53/08/598035308.db2.gz TZZZEHVKHJMFOF-GOEBONIOSA-N 2 0 325.497 1.613 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N(C)CCN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000884312396 598062985 /nfs/dbraw/zinc/06/29/85/598062985.db2.gz DJEVRGLLMIHOSZ-IYBDPMFKSA-N 2 0 349.475 1.466 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000884318957 598064768 /nfs/dbraw/zinc/06/47/68/598064768.db2.gz JUCZNHNGMXBWGN-KRWDZBQOSA-N 2 0 337.508 1.583 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000884327737 598069026 /nfs/dbraw/zinc/06/90/26/598069026.db2.gz AWXFNZPWVLVIQF-WMZOPIPTSA-N 2 0 331.460 1.841 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c3c(nn2C)CCSC3)CC1 ZINC000882890373 598096920 /nfs/dbraw/zinc/09/69/20/598096920.db2.gz WHTUDILVUCUXSL-AWEZNQCLSA-N 2 0 337.537 1.325 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000884420370 598100060 /nfs/dbraw/zinc/10/00/60/598100060.db2.gz QVRMIWZVJQALEN-MRXNPFEDSA-N 2 0 349.475 1.468 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995015839 699978122 /nfs/dbraw/zinc/97/81/22/699978122.db2.gz RUVYSUJZKLDKRA-JKSUJKDBSA-N 2 0 346.475 1.986 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)c3ccn(CC[NH+](C)C)n3)C[C@H]21 ZINC000992690337 695213381 /nfs/dbraw/zinc/21/33/81/695213381.db2.gz JJZISFLAHZKOSH-GVDBMIGSSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995017523 699983553 /nfs/dbraw/zinc/98/35/53/699983553.db2.gz VXBHIGFNHBBQTF-GJZGRUSLSA-N 2 0 347.463 1.381 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)S(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2 ZINC000914335520 695360314 /nfs/dbraw/zinc/36/03/14/695360314.db2.gz OIOKRHSMNAAHOO-RDJZCZTQSA-N 2 0 343.537 1.464 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccccn3)[C@H]2C1 ZINC000992902991 695439674 /nfs/dbraw/zinc/43/96/74/695439674.db2.gz BKWIULBLVBACIC-YTQUADARSA-N 2 0 342.487 1.894 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)o1 ZINC000992904458 695440517 /nfs/dbraw/zinc/44/05/17/695440517.db2.gz FQHTXGJOBOALGL-GVDBMIGSSA-N 2 0 346.475 1.796 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@@H]2C1 ZINC000992926704 695457688 /nfs/dbraw/zinc/45/76/88/695457688.db2.gz QFTKVMDEYLMCQC-UHOSZYNNSA-N 2 0 345.487 1.571 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@H]1C[NH+](C)C ZINC000915154166 695753125 /nfs/dbraw/zinc/75/31/25/695753125.db2.gz UTNUXFFDPOUKJE-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CC1CCC1 ZINC000993362314 696009458 /nfs/dbraw/zinc/00/94/58/696009458.db2.gz HLGBZVLTJVXKNK-DOTOQJQBSA-N 2 0 347.507 1.828 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NC1CN(C[C@H]2CCC(F)(F)C2)C1 ZINC001031267351 696081453 /nfs/dbraw/zinc/08/14/53/696081453.db2.gz CYVVGBUEBIDFJW-LBPRGKRZSA-N 2 0 338.402 1.997 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993737041 696340157 /nfs/dbraw/zinc/34/01/57/696340157.db2.gz BGAIMKONGRRJLC-YJBOKZPZSA-N 2 0 347.507 1.539 20 0 EDADRP C[C@H]1[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)CCC[N@@H+]1CCn1cccn1 ZINC000993803216 696379283 /nfs/dbraw/zinc/37/92/83/696379283.db2.gz HRRIMOROQYPMDN-DLBZAZTESA-N 2 0 347.507 1.584 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2nnc(C3CC3)o2)CC1 ZINC000940008361 700109928 /nfs/dbraw/zinc/10/99/28/700109928.db2.gz KMNMYVAYDANFKF-CQSZACIVSA-N 2 0 347.463 1.512 20 0 EDADRP COc1ccc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000940008425 700110311 /nfs/dbraw/zinc/11/03/11/700110311.db2.gz MUYKOJYTGJJCNI-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000916874165 696803862 /nfs/dbraw/zinc/80/38/62/696803862.db2.gz QYNQDYUCLDSIFH-CABCVRRESA-N 2 0 326.510 1.207 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCC[N@@H+]1CCCO ZINC000994493477 696933741 /nfs/dbraw/zinc/93/37/41/696933741.db2.gz DGLXBBJBWXTVQR-YJBOKZPZSA-N 2 0 333.476 1.713 20 0 EDADRP Cc1ncsc1CC[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@H]1C ZINC000994504083 696941755 /nfs/dbraw/zinc/94/17/55/696941755.db2.gz GLNDPQIPPFYEKH-HUUCEWRRSA-N 2 0 347.488 1.860 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CC[NH+]2C)C1 ZINC000925435402 696970304 /nfs/dbraw/zinc/97/03/04/696970304.db2.gz QEOJIYHDACYHTN-QZTJIDSGSA-N 2 0 330.476 1.649 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCOC2CCCCCC2)C1 ZINC001031584320 697279597 /nfs/dbraw/zinc/27/95/97/697279597.db2.gz BQSYEKHILUJEKX-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2nsc3ccccc32)C1 ZINC001031585254 697280906 /nfs/dbraw/zinc/28/09/06/697280906.db2.gz USASMZVUSCGEGW-MRXNPFEDSA-N 2 0 344.484 1.939 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCCO2)C1 ZINC001031666874 697452091 /nfs/dbraw/zinc/45/20/91/697452091.db2.gz SUKHQJHFCUXBMC-QZTJIDSGSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031668593 697461223 /nfs/dbraw/zinc/46/12/23/697461223.db2.gz KOTXOVHMAFMCHZ-DLBZAZTESA-N 2 0 335.492 1.478 20 0 EDADRP CCc1onc(C)c1CN1CC(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001031674512 697483240 /nfs/dbraw/zinc/48/32/40/697483240.db2.gz KVHHBPOFCPAZCX-KRWDZBQOSA-N 2 0 346.475 1.435 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1)c1ccccc1 ZINC001031681878 697506069 /nfs/dbraw/zinc/50/60/69/697506069.db2.gz NLCRUHCAPAFYNW-LZQZEXGQSA-N 2 0 345.487 1.762 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2CN(Cc3ccnc(OC)c3)C2)CC[N@@H+]1C ZINC001031684695 697512115 /nfs/dbraw/zinc/51/21/15/697512115.db2.gz ZBVQHQGHXXZEAK-DLBZAZTESA-N 2 0 346.475 1.369 20 0 EDADRP O=C(NCC1C[NH+](CCC2=CCCCC2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688490 697519778 /nfs/dbraw/zinc/51/97/78/697519778.db2.gz GJASBWPXGOWDOM-OALUTQOASA-N 2 0 347.503 1.788 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000921331137 697558294 /nfs/dbraw/zinc/55/82/94/697558294.db2.gz XIZBNDXJCZLRGY-UAGQMJEPSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCc1nc(CN(C)C)cs1 ZINC000921434951 697611003 /nfs/dbraw/zinc/61/10/03/697611003.db2.gz RNCIQICONSTIKP-SMDDNHRTSA-N 2 0 337.493 1.487 20 0 EDADRP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940114855 700229715 /nfs/dbraw/zinc/22/97/15/700229715.db2.gz CMHQYKVOEGBHOY-ZWKOTPCHSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115591 700230771 /nfs/dbraw/zinc/23/07/71/700230771.db2.gz OCCMETFMVRSKCX-OAHLLOKOSA-N 2 0 347.463 1.191 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC(C)([NH2+]CC3CCC3)CC2)n1 ZINC000940115729 700230997 /nfs/dbraw/zinc/23/09/97/700230997.db2.gz USUWIDPGIKRTPS-UHFFFAOYSA-N 2 0 347.507 1.829 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)n1 ZINC000939063366 699109532 /nfs/dbraw/zinc/10/95/32/699109532.db2.gz DZFPQRPCZLMCGG-RHSMWYFYSA-N 2 0 333.480 1.181 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939063864 699131118 /nfs/dbraw/zinc/13/11/18/699131118.db2.gz NHQLAUQTAWQMMK-XJKSGUPXSA-N 2 0 348.491 1.824 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939136686 699223013 /nfs/dbraw/zinc/22/30/13/699223013.db2.gz BOXMZCVYWSCPTI-CVEARBPZSA-N 2 0 333.480 1.052 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939136687 699223203 /nfs/dbraw/zinc/22/32/03/699223203.db2.gz BOXMZCVYWSCPTI-HOTGVXAUSA-N 2 0 333.480 1.052 20 0 EDADRP C[C@H](C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1)[NH+]1CCCCCC1 ZINC000941596056 701587578 /nfs/dbraw/zinc/58/75/78/701587578.db2.gz VBTVEJPTGVQCNK-QGZVFWFLSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939257041 699434189 /nfs/dbraw/zinc/43/41/89/699434189.db2.gz IULPSMULOPDVPG-KDOFPFPSSA-N 2 0 348.466 1.889 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccns2)C1)C12CCC[NH+]1CCC2 ZINC001031812879 699487694 /nfs/dbraw/zinc/48/76/94/699487694.db2.gz KJDMJHWIEFMVEI-UHFFFAOYSA-N 2 0 334.489 1.362 20 0 EDADRP CC[C@H]1CC[N@H+](CN2C(=O)[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2=O)C1 ZINC000183374366 701601886 /nfs/dbraw/zinc/60/18/86/701601886.db2.gz PGZRRSNKDDDBCN-RYQLBKOJSA-N 2 0 341.455 1.793 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636392 701601968 /nfs/dbraw/zinc/60/19/68/701601968.db2.gz KNVCDHQYHBAMBC-IAGOWNOFSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)C1 ZINC000941636815 701602145 /nfs/dbraw/zinc/60/21/45/701602145.db2.gz VGGBVVFGSCHVOG-SJORKVTESA-N 2 0 336.524 1.344 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000939543206 699684174 /nfs/dbraw/zinc/68/41/74/699684174.db2.gz BMYZUUXJPWEMRN-GOEBONIOSA-N 2 0 344.459 1.123 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939546110 699688145 /nfs/dbraw/zinc/68/81/45/699688145.db2.gz QBIHJRAFABMTRR-BBRMVZONSA-N 2 0 348.878 1.767 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939552251 699701944 /nfs/dbraw/zinc/70/19/44/699701944.db2.gz WIWJWFWBGPMJDJ-BLLLJJGKSA-N 2 0 343.431 1.694 20 0 EDADRP Cc1nccn1CCCC(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000069576560 699713453 /nfs/dbraw/zinc/71/34/53/699713453.db2.gz BNSIJQBPKIMNFI-INIZCTEOSA-N 2 0 349.479 1.031 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CCc3cncn3C)C[C@H]2C)sn1 ZINC000939642968 699774795 /nfs/dbraw/zinc/77/47/95/699774795.db2.gz NUMJFISEVQQQEU-MLGOLLRUSA-N 2 0 347.488 1.754 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939753482 699902673 /nfs/dbraw/zinc/90/26/73/699902673.db2.gz FYVMUNDELFHIRH-BBRMVZONSA-N 2 0 336.867 1.767 20 0 EDADRP COCc1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000939753687 699903291 /nfs/dbraw/zinc/90/32/91/699903291.db2.gz HFCATHYKHLFNJQ-LPHOPBHVSA-N 2 0 345.487 1.865 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810403 699958701 /nfs/dbraw/zinc/95/87/01/699958701.db2.gz MXBOQMCSBIBJRG-MAUKXSAKSA-N 2 0 347.507 1.541 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940142253 700269722 /nfs/dbraw/zinc/26/97/22/700269722.db2.gz MKJUSJWGOIEORK-INIZCTEOSA-N 2 0 348.495 1.160 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]Cc3ccns3)CC2)CC1 ZINC000940295771 700467297 /nfs/dbraw/zinc/46/72/97/700467297.db2.gz BHLDZEVDQMERIB-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)nn1C ZINC000940329144 700508010 /nfs/dbraw/zinc/50/80/10/700508010.db2.gz QAWKAXQVNWTTLZ-PBHICJAKSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940329253 700508644 /nfs/dbraw/zinc/50/86/44/700508644.db2.gz SQXQEMIPQAZDOO-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000940329881 700509655 /nfs/dbraw/zinc/50/96/55/700509655.db2.gz ZEFUMMKYZOGIBG-HNNXBMFYSA-N 2 0 345.491 1.740 20 0 EDADRP C[C@@H](CC(=O)N1CCC(C)([NH2+]Cc2nccn2C)CC1)n1ccnc1 ZINC000940357623 700528792 /nfs/dbraw/zinc/52/87/92/700528792.db2.gz KJHXURYBKLDONX-HNNXBMFYSA-N 2 0 344.463 1.739 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3ccon3)CC2)CC1 ZINC000940391913 700568438 /nfs/dbraw/zinc/56/84/38/700568438.db2.gz CHSPMTRUXVLCJT-UHFFFAOYSA-N 2 0 334.464 1.877 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)nc1 ZINC000940428225 700622436 /nfs/dbraw/zinc/62/24/36/700622436.db2.gz ZQUDDKZTSTZNPW-UHFFFAOYSA-N 2 0 343.475 1.352 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472264 700657550 /nfs/dbraw/zinc/65/75/50/700657550.db2.gz PDPBNZPOUQTOOC-UHFFFAOYSA-N 2 0 349.479 1.725 20 0 EDADRP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000940457542 700661136 /nfs/dbraw/zinc/66/11/36/700661136.db2.gz JZBCJUYBXOWUKV-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP CC1([NH2+]C[C@@H]2C[C@@]23CCOC3)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461641 700664937 /nfs/dbraw/zinc/66/49/37/700664937.db2.gz GONAOJZVPPDJDM-QFBILLFUSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C(C)(C)C2)on1 ZINC000940621245 700782617 /nfs/dbraw/zinc/78/26/17/700782617.db2.gz QAZCGSADOMWJBE-HOTGVXAUSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nccnc1C[NH+]1CC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626127 700788315 /nfs/dbraw/zinc/78/83/15/700788315.db2.gz ZNSJDRSEFIUHFE-DLBZAZTESA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1 ZINC000940896840 700973335 /nfs/dbraw/zinc/97/33/35/700973335.db2.gz ZJYPMGAJHQJENO-INIZCTEOSA-N 2 0 330.432 1.547 20 0 EDADRP CC1(C)C[N@H+](CCF)CC[C@H]1NC(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901327 700976314 /nfs/dbraw/zinc/97/63/14/700976314.db2.gz MEQTWVXNYICYHO-NWPKHEMWSA-N 2 0 339.455 1.036 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)C1 ZINC001031918817 701037395 /nfs/dbraw/zinc/03/73/95/701037395.db2.gz IAYHDXWXNKYIPE-WMZOPIPTSA-N 2 0 337.508 1.583 20 0 EDADRP CCn1cc(CC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)cn1 ZINC001031925804 701126738 /nfs/dbraw/zinc/12/67/38/701126738.db2.gz OHWIJBGOKLQXRK-YJBOKZPZSA-N 2 0 347.507 1.224 20 0 EDADRP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)n1 ZINC001031925451 701144358 /nfs/dbraw/zinc/14/43/58/701144358.db2.gz JCDYUCVQMXXACN-BBRMVZONSA-N 2 0 349.479 1.089 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999167553 706594532 /nfs/dbraw/zinc/59/45/32/706594532.db2.gz ASVFCIKUBREZKJ-QZTJIDSGSA-N 2 0 342.487 1.812 20 0 EDADRP Cn1cc(CC[N@@H+]2CC[C@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941217424 701403854 /nfs/dbraw/zinc/40/38/54/701403854.db2.gz OPJLTVCIVQCXHL-IRXDYDNUSA-N 2 0 347.507 1.131 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3CC[NH+](C)C3)C(C)(C)C2)cn1 ZINC000941218197 701408959 /nfs/dbraw/zinc/40/89/59/701408959.db2.gz WZAPCQWKUQEYGP-JKSUJKDBSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218430 701409257 /nfs/dbraw/zinc/40/92/57/701409257.db2.gz XOCROUXHOXAVCU-WBVHZDCISA-N 2 0 347.507 1.397 20 0 EDADRP Cn1nccc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941218744 701409492 /nfs/dbraw/zinc/40/94/92/701409492.db2.gz YVRKFOJRZVGVNZ-GDBMZVCRSA-N 2 0 333.480 1.089 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]CC2CC(F)(F)C2)C1 ZINC000999172166 706603316 /nfs/dbraw/zinc/60/33/16/706603316.db2.gz FEFCAISEYNMYNH-CVEARBPZSA-N 2 0 341.446 1.954 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cscn3)C[C@H]2CC1 ZINC000946518553 706604449 /nfs/dbraw/zinc/60/44/49/706604449.db2.gz WSHQSOOEKPSQDC-HLLBOEOZSA-N 2 0 348.516 1.908 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941443202 701535031 /nfs/dbraw/zinc/53/50/31/701535031.db2.gz LIZIAWCNFOIDAJ-QGZVFWFLSA-N 2 0 334.508 1.099 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)sn1 ZINC000999188591 706630015 /nfs/dbraw/zinc/63/00/15/706630015.db2.gz BSMBMSHOMYSBRK-IJEWVQPXSA-N 2 0 336.505 1.872 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC000999188904 706630527 /nfs/dbraw/zinc/63/05/27/706630527.db2.gz FMIJBDCAWBYXDO-KBAYOESNSA-N 2 0 347.507 1.366 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995830064 702104559 /nfs/dbraw/zinc/10/45/59/702104559.db2.gz FEGHAOMGSINLRM-DJIMGWMZSA-N 2 0 347.507 1.129 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)CC[N@@H+]1C ZINC000995832842 702108660 /nfs/dbraw/zinc/10/86/60/702108660.db2.gz PIKHQBCLKGURGO-BNOWGMLFSA-N 2 0 337.493 1.205 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](CC3CCOCC3)C2)c1 ZINC001032207233 702117452 /nfs/dbraw/zinc/11/74/52/702117452.db2.gz INRXTWICMQXJIH-UHFFFAOYSA-N 2 0 345.487 1.836 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897326 702201748 /nfs/dbraw/zinc/20/17/48/702201748.db2.gz QQDHTFPNKDGWOH-JKSUJKDBSA-N 2 0 333.480 1.087 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995885397 702220259 /nfs/dbraw/zinc/22/02/59/702220259.db2.gz IONNYWIESJESMS-HNNXBMFYSA-N 2 0 334.464 1.794 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995917506 702236089 /nfs/dbraw/zinc/23/60/89/702236089.db2.gz VNFDHHZSJLNWSK-SJORKVTESA-N 2 0 347.507 1.584 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995925781 702252976 /nfs/dbraw/zinc/25/29/76/702252976.db2.gz MEGMFINRWWAYQI-IRXDYDNUSA-N 2 0 347.507 1.698 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2ccnc(OC)c2)C(C)(C)C1)[NH+](C)C ZINC000995945179 702290636 /nfs/dbraw/zinc/29/06/36/702290636.db2.gz DNCUKIDWSJTOBS-HZPDHXFCSA-N 2 0 348.491 1.757 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(F)c2)C(C)(C)C1)[NH+](C)C ZINC000995953413 702317352 /nfs/dbraw/zinc/31/73/52/702317352.db2.gz VHBHQBQCBJEJQN-CVEARBPZSA-N 2 0 336.455 1.888 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000995981913 702341451 /nfs/dbraw/zinc/34/14/51/702341451.db2.gz OEUPLJXHNMKMOT-LSDHHAIUSA-N 2 0 336.505 1.954 20 0 EDADRP Cc1nc(CN2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)co1 ZINC000944171183 702415703 /nfs/dbraw/zinc/41/57/03/702415703.db2.gz XIWDQCCZMRUPMS-XJKSGUPXSA-N 2 0 332.448 1.405 20 0 EDADRP CCCCN1CCOC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000996102002 702519753 /nfs/dbraw/zinc/51/97/53/702519753.db2.gz SSFGXSIPBARTSC-IAGOWNOFSA-N 2 0 337.508 1.724 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)n1 ZINC000999225688 706684332 /nfs/dbraw/zinc/68/43/32/706684332.db2.gz ZHCGROORNLQSFJ-UHFFFAOYSA-N 2 0 347.507 1.856 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996223825 702633675 /nfs/dbraw/zinc/63/36/75/702633675.db2.gz SZXHAZUDOFJFCL-INIZCTEOSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000996300652 702692345 /nfs/dbraw/zinc/69/23/45/702692345.db2.gz NYSBMIFPPZNSJR-ZBFHGGJFSA-N 2 0 333.480 1.231 20 0 EDADRP CCc1nocc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995215195 702724002 /nfs/dbraw/zinc/72/40/02/702724002.db2.gz SZXIZKIGBVOXKJ-ZBFHGGJFSA-N 2 0 334.464 1.707 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995218597 702754704 /nfs/dbraw/zinc/75/47/04/702754704.db2.gz YGCALLSBYOOMJQ-CVEARBPZSA-N 2 0 345.491 1.300 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)CC1 ZINC000996470769 702823925 /nfs/dbraw/zinc/82/39/25/702823925.db2.gz IMXRBTLQRSXDLO-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996562093 702876245 /nfs/dbraw/zinc/87/62/45/702876245.db2.gz SDJFKSPUWUSIAW-KRWDZBQOSA-N 2 0 346.475 1.659 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC000996559872 702878332 /nfs/dbraw/zinc/87/83/32/702878332.db2.gz GMDGZBAHPJWQLE-QGZVFWFLSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996616438 702923291 /nfs/dbraw/zinc/92/32/91/702923291.db2.gz SBGGSBRPVIJGNN-DOTOQJQBSA-N 2 0 330.476 1.668 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000996651801 702941710 /nfs/dbraw/zinc/94/17/10/702941710.db2.gz CVNNBDXXCWKYAK-QGZVFWFLSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000996666003 702968480 /nfs/dbraw/zinc/96/84/80/702968480.db2.gz OJKBEFYZROWYJK-INIZCTEOSA-N 2 0 345.491 1.535 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)o1 ZINC000996689233 702986556 /nfs/dbraw/zinc/98/65/56/702986556.db2.gz KJCOXFOASRSAHK-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cn(CC3CC3)nn2)CC1)[NH+](C)C ZINC000996712554 703007571 /nfs/dbraw/zinc/00/75/71/703007571.db2.gz QKZLXCXUNARGDF-QGZVFWFLSA-N 2 0 348.495 1.109 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1)[NH+](C)C ZINC000996713261 703008209 /nfs/dbraw/zinc/00/82/09/703008209.db2.gz RORXJEMMQWRRKE-QZTJIDSGSA-N 2 0 333.476 1.641 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000996867468 703140349 /nfs/dbraw/zinc/14/03/49/703140349.db2.gz JCILEKZLIMIAJZ-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000996979180 703234639 /nfs/dbraw/zinc/23/46/39/703234639.db2.gz RMTFOICPASMCIQ-GOSISDBHSA-N 2 0 348.491 1.757 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC000997000640 703257526 /nfs/dbraw/zinc/25/75/26/703257526.db2.gz RVOCLVKNDVTOME-MRXNPFEDSA-N 2 0 347.507 1.565 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997004799 703261928 /nfs/dbraw/zinc/26/19/28/703261928.db2.gz GTQBHAHMVHXRCY-HNNXBMFYSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997010589 703270986 /nfs/dbraw/zinc/27/09/86/703270986.db2.gz SOWOTAHXMSKKSU-SUMWQHHRSA-N 2 0 346.475 1.830 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997057519 703303173 /nfs/dbraw/zinc/30/31/73/703303173.db2.gz JXUZXGISPJYYKG-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997061890 703312834 /nfs/dbraw/zinc/31/28/34/703312834.db2.gz KINUMQHCSBHTFN-QGZVFWFLSA-N 2 0 349.479 1.722 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncn2C)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821159 703329371 /nfs/dbraw/zinc/32/93/71/703329371.db2.gz CKOXBUMJEKEUSS-NVXWUHKLSA-N 2 0 347.507 1.479 20 0 EDADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000997086654 703332117 /nfs/dbraw/zinc/33/21/17/703332117.db2.gz AIERIFZGDVXOKG-HOTGVXAUSA-N 2 0 333.436 1.167 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnn(C)n3)CC2)CC1 ZINC000997137877 703398620 /nfs/dbraw/zinc/39/86/20/703398620.db2.gz GKHNJYHMYPCPFB-UHFFFAOYSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CC(CNC(=O)c3ccc(C[NH+](C)C)cc3)C2)O1 ZINC001032053108 703402430 /nfs/dbraw/zinc/40/24/30/703402430.db2.gz ORFUKDBAMIAXIU-KXBFYZLASA-N 2 0 345.487 1.977 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC1CCOCC1 ZINC001032399696 703413032 /nfs/dbraw/zinc/41/30/32/703413032.db2.gz CYDINHVBWFUABZ-FHWLQOOXSA-N 2 0 349.519 1.961 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1ncccn1 ZINC000997182835 703467982 /nfs/dbraw/zinc/46/79/82/703467982.db2.gz IGDMYKZHMQHYLH-LSDHHAIUSA-N 2 0 331.464 1.460 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997180377 703470536 /nfs/dbraw/zinc/47/05/36/703470536.db2.gz QGPQNTOOUKAHFG-KBPBESRZSA-N 2 0 349.479 1.615 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000997189606 703471657 /nfs/dbraw/zinc/47/16/57/703471657.db2.gz ZWVCANGEIWVXOA-UHFFFAOYSA-N 2 0 342.447 1.276 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997185054 703473912 /nfs/dbraw/zinc/47/39/12/703473912.db2.gz OZWNZXHBLBTGSO-INIZCTEOSA-N 2 0 347.507 1.368 20 0 EDADRP O=C(N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)C12CC[NH+](CC1)C2 ZINC000997191127 703487649 /nfs/dbraw/zinc/48/76/49/703487649.db2.gz FZCNOEZMWQDJPM-UHFFFAOYSA-N 2 0 343.471 1.355 20 0 EDADRP COC[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997274360 703535143 /nfs/dbraw/zinc/53/51/43/703535143.db2.gz LGVCJILMPHPCTF-INMHGKMJSA-N 2 0 325.497 1.722 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997300489 703544276 /nfs/dbraw/zinc/54/42/76/703544276.db2.gz WDOFSDVNICLRIS-KRWDZBQOSA-N 2 0 331.460 1.211 20 0 EDADRP CCCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997296797 703555478 /nfs/dbraw/zinc/55/54/78/703555478.db2.gz BZAIFYDFAUDZFT-HNNXBMFYSA-N 2 0 348.491 1.968 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997299106 703556534 /nfs/dbraw/zinc/55/65/34/703556534.db2.gz NNARBUATGVJBID-CQSZACIVSA-N 2 0 334.464 1.578 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]CCn3cc(Cl)cn3)CC2)C1 ZINC000997299985 703557430 /nfs/dbraw/zinc/55/74/30/703557430.db2.gz SSCMIFLRCWPFRZ-ZDUSSCGKSA-N 2 0 339.871 1.069 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C ZINC000997307072 703565398 /nfs/dbraw/zinc/56/53/98/703565398.db2.gz NHUTYHJVNMWANE-UHFFFAOYSA-N 2 0 348.495 1.115 20 0 EDADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CC(N)=O)CC1 ZINC000997345854 703575595 /nfs/dbraw/zinc/57/55/95/703575595.db2.gz VZZAYKIGSPSICM-CQSZACIVSA-N 2 0 346.475 1.064 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997356673 703587642 /nfs/dbraw/zinc/58/76/42/703587642.db2.gz LEQMWAXUTSWCLY-INIZCTEOSA-N 2 0 345.487 1.979 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)co1 ZINC000997361611 703595742 /nfs/dbraw/zinc/59/57/42/703595742.db2.gz WSWKKVIPIKLGSB-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP CCn1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3CC)CC2)n1 ZINC000997368772 703609002 /nfs/dbraw/zinc/60/90/02/703609002.db2.gz UVJISIZXONQWMC-KRWDZBQOSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000921584568 703627605 /nfs/dbraw/zinc/62/76/05/703627605.db2.gz VOXICPBZMFRJHU-WMLDXEAASA-N 2 0 331.464 1.610 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997604665 703900060 /nfs/dbraw/zinc/90/00/60/703900060.db2.gz CBEWOHXPUSVZEN-INIZCTEOSA-N 2 0 334.464 1.659 20 0 EDADRP CCO[C@H](CNC(=O)NCC1(SC)CC[NH+](C)CC1)C[NH+](C)C ZINC000922529728 703950989 /nfs/dbraw/zinc/95/09/89/703950989.db2.gz IGUOIWBXXDISAM-CQSZACIVSA-N 2 0 346.541 1.080 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)sn1 ZINC000995551008 703955381 /nfs/dbraw/zinc/95/53/81/703955381.db2.gz LMKSUOFZQDGOFI-LSDHHAIUSA-N 2 0 336.505 1.872 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)cn1 ZINC000995552873 703961873 /nfs/dbraw/zinc/96/18/73/703961873.db2.gz RXLUJUMRYSDLII-HOTGVXAUSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555530 703975375 /nfs/dbraw/zinc/97/53/75/703975375.db2.gz ZUHVHQKMSOMWRJ-JKSUJKDBSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1nc(C)c(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)o1 ZINC001033092681 704168933 /nfs/dbraw/zinc/16/89/33/704168933.db2.gz UBJOTDVGQUOQBZ-VNQPRFMTSA-N 2 0 334.464 1.664 20 0 EDADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033090122 704172158 /nfs/dbraw/zinc/17/21/58/704172158.db2.gz FUXWDRTYUFHNAJ-OTWHNJEPSA-N 2 0 349.519 1.676 20 0 EDADRP CC(C)(C(=O)N1CC[C@H]2C[N@@H+](CCO)C[C@H]2CC1)[NH+]1CCCCC1 ZINC000946592619 704230487 /nfs/dbraw/zinc/23/04/87/704230487.db2.gz SXTCJQLGDRSYNN-CALCHBBNSA-N 2 0 337.508 1.414 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000999308069 706808744 /nfs/dbraw/zinc/80/87/44/706808744.db2.gz OUHDNVDPAMXYPT-ZWKOTPCHSA-N 2 0 347.507 1.684 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598084 704311001 /nfs/dbraw/zinc/31/10/01/704311001.db2.gz XOMQZCCGVFSJJC-FCGDIQPGSA-N 2 0 347.503 1.430 20 0 EDADRP O=C(NCc1ccc2c[nH+]cn2c1)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000922834305 704399651 /nfs/dbraw/zinc/39/96/51/704399651.db2.gz JWVOUZIDULVHTK-HZPDHXFCSA-N 2 0 345.472 1.713 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(CC)n2)C1 ZINC000999308222 706809110 /nfs/dbraw/zinc/80/91/10/706809110.db2.gz RBBRIILSLSNESO-ZWKOTPCHSA-N 2 0 347.507 1.858 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@H]2CCC[NH+]3CCSC[C@@H]23)C1 ZINC000922851907 704438541 /nfs/dbraw/zinc/43/85/41/704438541.db2.gz CHQGMEYZFNBOHW-PMPSAXMXSA-N 2 0 340.537 1.597 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997784255 704687846 /nfs/dbraw/zinc/68/78/46/704687846.db2.gz NPUMIIFYWFXDHY-INIZCTEOSA-N 2 0 348.516 1.813 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997783882 704694319 /nfs/dbraw/zinc/69/43/19/704694319.db2.gz MCOGRUMREQVESK-HKUYNNGSSA-N 2 0 349.519 1.583 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000997821694 704741720 /nfs/dbraw/zinc/74/17/20/704741720.db2.gz PIPXQGFVDNOVIF-INIZCTEOSA-N 2 0 348.495 1.316 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000997836820 704753752 /nfs/dbraw/zinc/75/37/52/704753752.db2.gz LVYXYMLDBOFDQA-FUHWJXTLSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997836346 704753777 /nfs/dbraw/zinc/75/37/77/704753777.db2.gz IWESJIBENOEFOI-AWEZNQCLSA-N 2 0 346.475 1.796 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)o1 ZINC000944921026 704773154 /nfs/dbraw/zinc/77/31/54/704773154.db2.gz XRMNXMMMWNJESP-ZBFHGGJFSA-N 2 0 348.491 1.968 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944942709 704795125 /nfs/dbraw/zinc/79/51/25/704795125.db2.gz CJWYPBHSFCFYBV-KBXCAEBGSA-N 2 0 348.491 1.968 20 0 EDADRP CCn1ccc(CN2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946672 704799877 /nfs/dbraw/zinc/79/98/77/704799877.db2.gz YDXFTYJVEGWUSC-NVXWUHKLSA-N 2 0 333.480 1.325 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000945028226 704955106 /nfs/dbraw/zinc/95/51/06/704955106.db2.gz GCGQFMGRXDBTGW-CRAIPNDOSA-N 2 0 333.476 1.571 20 0 EDADRP CCN(C(=O)[C@H]1CCCc2nccn21)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998031287 705215454 /nfs/dbraw/zinc/21/54/54/705215454.db2.gz OBAJLJWKMAUOCX-DLBZAZTESA-N 2 0 348.491 1.846 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC000998031358 705216739 /nfs/dbraw/zinc/21/67/39/705216739.db2.gz KPDNABZQDUYXHY-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000998041019 705230336 /nfs/dbraw/zinc/23/03/36/705230336.db2.gz ZJJFTEULLVOFOM-GOSISDBHSA-N 2 0 349.523 1.643 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1)[NH+](C)C ZINC000998044833 705240266 /nfs/dbraw/zinc/24/02/66/705240266.db2.gz ANPWFHMOCNVNMU-IAGOWNOFSA-N 2 0 325.497 1.437 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998078244 705299089 /nfs/dbraw/zinc/29/90/89/705299089.db2.gz KHYPLIJKCMHGIA-CZUORRHYSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)nc1 ZINC000998080851 705300505 /nfs/dbraw/zinc/30/05/05/705300505.db2.gz DXSQMTINTYNCBC-INIZCTEOSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1ncccc1CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602329 705393381 /nfs/dbraw/zinc/39/33/81/705393381.db2.gz OKPLLXVMOMSALX-ROUUACIJSA-N 2 0 328.460 1.517 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)ncn1 ZINC000998216790 705539790 /nfs/dbraw/zinc/53/97/90/705539790.db2.gz LCNMRUBLONCXKW-KRWDZBQOSA-N 2 0 345.491 1.455 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)oc1C ZINC000998224138 705552858 /nfs/dbraw/zinc/55/28/58/705552858.db2.gz YIKRHPPEQBWAHP-UHFFFAOYSA-N 2 0 346.475 1.715 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cnn(C)c2)CC1 ZINC000998287712 705682746 /nfs/dbraw/zinc/68/27/46/705682746.db2.gz QEBAHFJMBGGBQD-HZPDHXFCSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)sc1C ZINC000998548377 705984037 /nfs/dbraw/zinc/98/40/37/705984037.db2.gz HEIXDJGOBDIGSL-NRXISQOPSA-N 2 0 336.505 1.933 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc(CO)ccc2F)C1 ZINC000998550478 705987095 /nfs/dbraw/zinc/98/70/95/705987095.db2.gz MGGYNTRWSHQBQU-LEOMRAHMSA-N 2 0 349.450 1.491 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]Cc2cnnn2C)C1 ZINC000998768936 706209053 /nfs/dbraw/zinc/20/90/53/706209053.db2.gz GBQVBEDNQDUSNX-UHFFFAOYSA-N 2 0 348.495 1.159 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3conc3C)C2)CC[N@@H+]1C ZINC000998794885 706241701 /nfs/dbraw/zinc/24/17/01/706241701.db2.gz RXHCBGRVYBTUHK-SJJHQCBESA-N 2 0 334.464 1.792 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1C ZINC000998995804 706413208 /nfs/dbraw/zinc/41/32/08/706413208.db2.gz VFSHOHDQXODPOI-PREGVCBESA-N 2 0 333.480 1.292 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999036009 706451207 /nfs/dbraw/zinc/45/12/07/706451207.db2.gz PTCJAQQUXQILNF-UYSNPLJNSA-N 2 0 348.495 1.015 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000999052518 706473540 /nfs/dbraw/zinc/47/35/40/706473540.db2.gz YEAUXCVRMVYXFE-GRTSSRMGSA-N 2 0 346.479 1.382 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]C[C@H]2CCCOC2)C1 ZINC000999123479 706548260 /nfs/dbraw/zinc/54/82/60/706548260.db2.gz LASCXGXMJPBXKQ-MXWWQKGMSA-N 2 0 342.443 1.954 20 0 EDADRP CN(C(=O)c1ccc2c[nH+]cn2c1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999123598 706548264 /nfs/dbraw/zinc/54/82/64/706548264.db2.gz PDQXSQBFXHHYLG-UHFFFAOYSA-N 2 0 338.415 1.461 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)ncn1 ZINC000999377936 706872152 /nfs/dbraw/zinc/87/21/52/706872152.db2.gz XGRCXGTVHSJVEE-WBVHZDCISA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)c1 ZINC000999364348 706878322 /nfs/dbraw/zinc/87/83/22/706878322.db2.gz MPOPJIVIPKSZIN-QGZVFWFLSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1cccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999367136 706880791 /nfs/dbraw/zinc/88/07/91/706880791.db2.gz DSDXHRWZSBMFOC-AEFFLSMTSA-N 2 0 330.476 1.811 20 0 EDADRP COc1ccnc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)c1 ZINC000999401922 706909592 /nfs/dbraw/zinc/90/95/92/706909592.db2.gz AYPSDTCYIYZQAB-UQPPLGOBSA-N 2 0 346.475 1.511 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999402962 706911490 /nfs/dbraw/zinc/91/14/90/706911490.db2.gz SYYVQANHFAGLFU-MSOLQXFVSA-N 2 0 347.507 1.858 20 0 EDADRP Cc1nnsc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406167 706915375 /nfs/dbraw/zinc/91/53/75/706915375.db2.gz LNDSAVHBRZGBPM-XGNXJENSSA-N 2 0 337.493 1.410 20 0 EDADRP COc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999406617 706915909 /nfs/dbraw/zinc/91/59/09/706915909.db2.gz OOZVTTNZTNLCBN-HLIUYOAVSA-N 2 0 347.463 1.049 20 0 EDADRP COc1nccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999407530 706917009 /nfs/dbraw/zinc/91/70/09/706917009.db2.gz WSVCSOXHEYPTAX-JEYLPNPQSA-N 2 0 347.463 1.049 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@H](C)C3)C2)n1 ZINC000999407829 706917550 /nfs/dbraw/zinc/91/75/50/706917550.db2.gz HBEIQUXRACRITK-ZLPCBKJTSA-N 2 0 347.507 1.885 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999435221 706942568 /nfs/dbraw/zinc/94/25/68/706942568.db2.gz QZDMUPQRPVXTGR-RDJZCZTQSA-N 2 0 336.480 1.958 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999506546 707003850 /nfs/dbraw/zinc/00/38/50/707003850.db2.gz BOHRIRGUQAKILR-ZWKOTPCHSA-N 2 0 330.476 1.955 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999515734 707015012 /nfs/dbraw/zinc/01/50/12/707015012.db2.gz YOLUNLKIRDOLLY-IRXDYDNUSA-N 2 0 333.480 1.293 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999572327 707078316 /nfs/dbraw/zinc/07/83/16/707078316.db2.gz CQWUVMAJYGASPX-SJLPKXTDSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999572922 707079275 /nfs/dbraw/zinc/07/92/75/707079275.db2.gz GGJXRKYRQFJDDC-ZWKOTPCHSA-N 2 0 347.507 1.621 20 0 EDADRP CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CC5CC4(C5)CO3)CC[C@@H]2C1 ZINC000946690362 707122216 /nfs/dbraw/zinc/12/22/16/707122216.db2.gz OCLVUDNHUSWRAB-PBIMCDDKSA-N 2 0 347.503 1.430 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CCc2ccns2)C1 ZINC000999698668 707225341 /nfs/dbraw/zinc/22/53/41/707225341.db2.gz UWFLRKTVPBAHTM-UHFFFAOYSA-N 2 0 334.489 1.360 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]3C[NH+](CCO)C[C@H]3CC2)C1 ZINC000946729011 707255104 /nfs/dbraw/zinc/25/51/04/707255104.db2.gz QLYIUYQTAFDMKA-KSZLIROESA-N 2 0 337.508 1.271 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](CCn3cccn3)C[C@H]2CC1)[NH+](C)C ZINC000946784789 707315202 /nfs/dbraw/zinc/31/52/02/707315202.db2.gz UIYSJJBQRWQPEH-KSZLIROESA-N 2 0 347.507 1.394 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946808711 707507664 /nfs/dbraw/zinc/50/76/64/707507664.db2.gz RSVLTAXJZASNAQ-KSZLIROESA-N 2 0 337.508 1.412 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]([NH2+]Cc3nccn3C)C2)C1 ZINC000999971606 707582129 /nfs/dbraw/zinc/58/21/29/707582129.db2.gz CJPNEPFICRDRSA-DLBZAZTESA-N 2 0 347.507 1.623 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001033213540 707709195 /nfs/dbraw/zinc/70/91/95/707709195.db2.gz KVUREZIUKASZHF-XJKSGUPXSA-N 2 0 330.432 1.824 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033398465 707739239 /nfs/dbraw/zinc/73/92/39/707739239.db2.gz WTQHEZXMKFMDTI-WMZOPIPTSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004975627 707808532 /nfs/dbraw/zinc/80/85/32/707808532.db2.gz DKYVAIOCYHSGTM-DOTOQJQBSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)n1 ZINC001033420034 707829869 /nfs/dbraw/zinc/82/98/69/707829869.db2.gz LSPLTMWKTWILMF-MAUKXSAKSA-N 2 0 347.507 1.374 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC[C@@H](N(C)C(=O)C[N@H+]3CCC[C@H]3C)C2)n1 ZINC001033422032 707835399 /nfs/dbraw/zinc/83/53/99/707835399.db2.gz FAVSMWMGGVUBDP-SJLPKXTDSA-N 2 0 347.507 1.517 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H](CC)[NH+](C)C)C2)o1 ZINC001000221494 707880625 /nfs/dbraw/zinc/88/06/25/707880625.db2.gz YBVVOHWSOYFMNQ-CABCVRRESA-N 2 0 336.480 1.966 20 0 EDADRP Cc1ncc(CN2CC[C@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC001033227978 707897701 /nfs/dbraw/zinc/89/77/01/707897701.db2.gz HVDIMVSXGVCMDE-KRWDZBQOSA-N 2 0 343.475 1.446 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033476946 707939186 /nfs/dbraw/zinc/93/91/86/707939186.db2.gz ZDFYGCVWGTZWGT-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC001033472734 707960762 /nfs/dbraw/zinc/96/07/62/707960762.db2.gz AZINJAJHLUGOGF-SJLPKXTDSA-N 2 0 347.507 1.716 20 0 EDADRP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490152 707984274 /nfs/dbraw/zinc/98/42/74/707984274.db2.gz NURNNNCKSBQQBP-NVXWUHKLSA-N 2 0 335.496 1.637 20 0 EDADRP CC(C)CC[N@H+]1CC=C(CNC(=O)[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC001000714786 708063206 /nfs/dbraw/zinc/06/32/06/708063206.db2.gz NDJWRSUPIRRTQX-ZWKOTPCHSA-N 2 0 335.492 1.644 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001000917834 708076356 /nfs/dbraw/zinc/07/63/56/708076356.db2.gz NABKQUNFKABMHT-DLBZAZTESA-N 2 0 331.460 1.728 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001005185113 708112430 /nfs/dbraw/zinc/11/24/30/708112430.db2.gz PWUIBYIYZHNYQZ-ZWKOTPCHSA-N 2 0 337.508 1.963 20 0 EDADRP Cc1nnc([C@@H](C)N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)o1 ZINC001005182122 708127941 /nfs/dbraw/zinc/12/79/41/708127941.db2.gz CTSYXKPCSRRXJT-IUODEOHRSA-N 2 0 335.452 1.456 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033583331 708267462 /nfs/dbraw/zinc/26/74/62/708267462.db2.gz SYZNPZUGBHMBCQ-GJZGRUSLSA-N 2 0 336.505 1.826 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033658136 708424773 /nfs/dbraw/zinc/42/47/73/708424773.db2.gz PQKXWVGYHJFVOF-GOSISDBHSA-N 2 0 344.503 1.881 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCOC3CCC3)CC2)CC[N@@H+]1C ZINC001005406839 708936534 /nfs/dbraw/zinc/93/65/34/708936534.db2.gz HJAVRGAMVOUJTP-CRAIPNDOSA-N 2 0 337.508 1.819 20 0 EDADRP COc1ccc(CC[NH+]2CCC(NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC001002461923 708987063 /nfs/dbraw/zinc/98/70/63/708987063.db2.gz RYWLRIGCJDGBFI-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP Cc1nc(CC[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)cs1 ZINC001002479281 709028775 /nfs/dbraw/zinc/02/87/75/709028775.db2.gz HTWFLMHNOVXRGP-MRXNPFEDSA-N 2 0 336.505 1.669 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001033906362 709036385 /nfs/dbraw/zinc/03/63/85/709036385.db2.gz OCWBLVWAQBQGDN-NRGCRIOASA-N 2 0 349.519 1.819 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033928372 709059807 /nfs/dbraw/zinc/05/98/07/709059807.db2.gz YXQYGCNBYJJHRH-MSOLQXFVSA-N 2 0 347.507 1.370 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@@H](N(CC)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001034014095 709228623 /nfs/dbraw/zinc/22/86/23/709228623.db2.gz BHQKMKNTHMZMDA-LXPRWKDFSA-N 2 0 349.519 1.820 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2cnc(C)s2)C1 ZINC001034037789 709270366 /nfs/dbraw/zinc/27/03/66/709270366.db2.gz FMEHWUFAZODQNN-GJZGRUSLSA-N 2 0 336.505 1.826 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ncccc2C)C1 ZINC001034041411 709289848 /nfs/dbraw/zinc/28/98/48/709289848.db2.gz CZRBKVLRXBTJDZ-SJORKVTESA-N 2 0 330.476 1.765 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@H]2CCCC[N@H+](CC3CC(F)(F)C3)C2)C1 ZINC001034147840 709418872 /nfs/dbraw/zinc/41/88/72/709418872.db2.gz CMWGIZBUNWGPMW-GJZGRUSLSA-N 2 0 345.434 1.333 20 0 EDADRP Cc1nc(CN2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)c(C)o1 ZINC001002835009 709450795 /nfs/dbraw/zinc/45/07/95/709450795.db2.gz WDQJMFXCWJGTTG-KRWDZBQOSA-N 2 0 346.475 1.714 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)C1 ZINC001032828557 709452993 /nfs/dbraw/zinc/45/29/93/709452993.db2.gz LAVHDCYDHQYVRA-RCCFBDPRSA-N 2 0 349.450 1.014 20 0 EDADRP C[C@@H](c1cnccn1)N1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001032830135 709465727 /nfs/dbraw/zinc/46/57/27/709465727.db2.gz CGLVJMHZWHLJAT-VGWMRTNUSA-N 2 0 331.464 1.458 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](CCn2cccn2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034212972 709564240 /nfs/dbraw/zinc/56/42/40/709564240.db2.gz SMYIGDSWPKTRRQ-ZWKOTPCHSA-N 2 0 345.491 1.196 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCn2cccn2)C1)C12CCC[NH+]1CCC2 ZINC001034290067 709714859 /nfs/dbraw/zinc/71/48/59/709714859.db2.gz FLSULADZDHGOGD-QGZVFWFLSA-N 2 0 345.491 1.482 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001034340463 709803819 /nfs/dbraw/zinc/80/38/19/709803819.db2.gz NWVOJELLJAZGIQ-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3cnn(C)c3)C2)C1 ZINC001034394147 709930282 /nfs/dbraw/zinc/93/02/82/709930282.db2.gz JRIPZQIIOPYQFB-AEFFLSMTSA-N 2 0 347.507 1.275 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1)OC ZINC001003134056 710018695 /nfs/dbraw/zinc/01/86/95/710018695.db2.gz OQIWGOGNAMXGQH-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001003160428 710069496 /nfs/dbraw/zinc/06/94/96/710069496.db2.gz PINJUHLDEPHZME-SJORKVTESA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003161048 710070422 /nfs/dbraw/zinc/07/04/22/710070422.db2.gz RYTUOLVEOZBDBT-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](C[C@H]2CCCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034487969 710136903 /nfs/dbraw/zinc/13/69/03/710136903.db2.gz RVLLNDUTDVAGRT-IAGOWNOFSA-N 2 0 335.492 1.480 20 0 EDADRP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1cccc2c1CC[N@H+](CC(C)(C)O)C2 ZINC000423030868 710170165 /nfs/dbraw/zinc/17/01/65/710170165.db2.gz KBBFZKUXBXFGAX-NVXWUHKLSA-N 2 0 347.503 1.995 20 0 EDADRP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003333709 710257671 /nfs/dbraw/zinc/25/76/71/710257671.db2.gz SJALKBCQCVAFBS-PZUDQQFRSA-N 2 0 339.867 1.183 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034648340 710324966 /nfs/dbraw/zinc/32/49/66/710324966.db2.gz IQMXTFHNTGNBEW-GUDVDZBRSA-N 2 0 349.519 1.772 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034648534 710325281 /nfs/dbraw/zinc/32/52/81/710325281.db2.gz KYTLUHFUICIDRW-JFIYKMOQSA-N 2 0 345.491 1.279 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC001003546785 710413474 /nfs/dbraw/zinc/41/34/74/710413474.db2.gz AILXBIWSUNUDCW-UHFFFAOYSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001003626673 710447578 /nfs/dbraw/zinc/44/75/78/710447578.db2.gz UNLZIBNTGGDYMC-CQSZACIVSA-N 2 0 333.480 1.151 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC001003627620 710457664 /nfs/dbraw/zinc/45/76/64/710457664.db2.gz HKYWAYXSUYEOSJ-MRXNPFEDSA-N 2 0 347.507 1.510 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001034670077 710605194 /nfs/dbraw/zinc/60/51/94/710605194.db2.gz BHDUSOHCJVUFEN-BZSNNMDCSA-N 2 0 349.519 1.916 20 0 EDADRP CC[C@@H](C[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1)OC ZINC001005661315 710872220 /nfs/dbraw/zinc/87/22/20/710872220.db2.gz QQQRNSXHQNZLGD-KRWDZBQOSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)CC1 ZINC001034723938 710893565 /nfs/dbraw/zinc/89/35/65/710893565.db2.gz DUTFNLCSXYUMFM-IYARVYRRSA-N 2 0 330.476 1.940 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)CC1 ZINC001034724485 710895234 /nfs/dbraw/zinc/89/52/34/710895234.db2.gz NEVPWROYVOPTBM-QAQDUYKDSA-N 2 0 330.476 1.940 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC001034739145 710932998 /nfs/dbraw/zinc/93/29/98/710932998.db2.gz YJTLSPLLAFFKMN-DTZQCDIJSA-N 2 0 334.464 1.698 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)cn1 ZINC001034737874 710951457 /nfs/dbraw/zinc/95/14/57/710951457.db2.gz OBJXKVXBGZWGDG-BNEJOLLZSA-N 2 0 345.491 1.500 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034775720 711049429 /nfs/dbraw/zinc/04/94/29/711049429.db2.gz HHJIDQNMANIZCR-ULQDDVLXSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)nc1 ZINC001034775543 711049626 /nfs/dbraw/zinc/04/96/26/711049626.db2.gz CKNUMDQZKILKGD-ULQDDVLXSA-N 2 0 345.491 1.644 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034779131 711083376 /nfs/dbraw/zinc/08/33/76/711083376.db2.gz RBZYBDCAUPXXDO-BZUAXINKSA-N 2 0 333.480 1.279 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000922335615 711086346 /nfs/dbraw/zinc/08/63/46/711086346.db2.gz SQINCYSHSFYSGB-PKOBYXMFSA-N 2 0 330.476 1.902 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1)C1CCC1 ZINC001003972970 711128204 /nfs/dbraw/zinc/12/82/04/711128204.db2.gz CIVARKRUMFHVMN-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034797394 711131519 /nfs/dbraw/zinc/13/15/19/711131519.db2.gz ZBORPXDNAALOMK-KPOQHDDYSA-N 2 0 347.507 1.810 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@H+]2C)sc1C ZINC001034882077 711283541 /nfs/dbraw/zinc/28/35/41/711283541.db2.gz RRHXBVBBSNUGIV-HUUCEWRRSA-N 2 0 336.505 1.935 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cn(C)nc1C(F)F)C2 ZINC000922387802 711428073 /nfs/dbraw/zinc/42/80/73/711428073.db2.gz BAVGCSGFPHEBAJ-LGWLGOQQSA-N 2 0 342.434 1.927 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)ccn1 ZINC001034957698 711429993 /nfs/dbraw/zinc/42/99/93/711429993.db2.gz FMCLYNFDIQGXRT-QGZVFWFLSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)o1 ZINC001034939624 711442343 /nfs/dbraw/zinc/44/23/43/711442343.db2.gz HXTNLZSJQLRITN-FVQBIDKESA-N 2 0 334.464 1.712 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001004147948 711560297 /nfs/dbraw/zinc/56/02/97/711560297.db2.gz OWILMDLBTZRHPV-UHFFFAOYSA-N 2 0 331.460 1.872 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922465347 711581152 /nfs/dbraw/zinc/58/11/52/711581152.db2.gz BAWJCRSGSCEGSY-XHSDSOJGSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004523455 711924020 /nfs/dbraw/zinc/92/40/20/711924020.db2.gz QVXNFGLJJUKINI-MAUKXSAKSA-N 2 0 337.508 1.412 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC[C@@H]2C1 ZINC000946623779 711925389 /nfs/dbraw/zinc/92/53/89/711925389.db2.gz QTZMUTARBKUDGH-DZJNRPSUSA-N 2 0 337.508 1.532 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccn(C)n2)C1 ZINC001033151117 712117644 /nfs/dbraw/zinc/11/76/44/712117644.db2.gz IIMSTANHVSQLPT-MSOLQXFVSA-N 2 0 347.507 1.716 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2C[NH+](C[C@H]3CCOC3)C[C@H]2CC1 ZINC000946644709 712152834 /nfs/dbraw/zinc/15/28/34/712152834.db2.gz ICPHKCIJKQJTHW-YRXWBPOGSA-N 2 0 349.519 1.678 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCO)C[C@H]2CC1 ZINC000946657417 712247953 /nfs/dbraw/zinc/24/79/53/712247953.db2.gz KJUDPZZHLMYGPD-FGTMMUONSA-N 2 0 337.508 1.270 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433343812 539558444 /nfs/dbraw/zinc/55/84/44/539558444.db2.gz PJCUJUHNYVVQFM-CVEARBPZSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000418108446 290823012 /nfs/dbraw/zinc/82/30/12/290823012.db2.gz RJMQYNXKTUTYOS-QFWMXSHPSA-N 2 0 336.402 1.699 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000436125040 539569669 /nfs/dbraw/zinc/56/96/69/539569669.db2.gz PABRBHMKIUODEE-CABCVRRESA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333946228 539661885 /nfs/dbraw/zinc/66/18/85/539661885.db2.gz UKAGNBMGDSPSLP-GJZGRUSLSA-N 2 0 340.537 1.788 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000342980092 539769524 /nfs/dbraw/zinc/76/95/24/539769524.db2.gz WZJNMYUWVRWIOK-ZDUSSCGKSA-N 2 0 340.512 1.258 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCOc3c(F)cccc32)CC1 ZINC000563013699 306315764 /nfs/dbraw/zinc/31/57/64/306315764.db2.gz LGOPWCJWLUGBDK-PBHICJAKSA-N 2 0 337.439 1.237 20 0 EDADRP C[C@H]1C[C@@H]1[N@@H+]1CCN(C(=O)C[NH+](C)[C@@H]2CCSC2)C[C@@H](C)C1 ZINC000346171533 291094976 /nfs/dbraw/zinc/09/49/76/291094976.db2.gz WXWFTGPGPWAQJK-JONQDZQNSA-N 2 0 325.522 1.612 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCCCC1 ZINC000073205397 138215268 /nfs/dbraw/zinc/21/52/68/138215268.db2.gz OWEAQXVIJHUTEV-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)C1 ZINC000131851222 138366555 /nfs/dbraw/zinc/36/65/55/138366555.db2.gz BTWFCKAJVQEQJU-JKSUJKDBSA-N 2 0 329.510 1.076 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000186843762 236039761 /nfs/dbraw/zinc/03/97/61/236039761.db2.gz YWIBBZVRVBOXQA-MAUKXSAKSA-N 2 0 330.476 1.162 20 0 EDADRP CN(CCC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc[nH+]cc1 ZINC000563872280 306350845 /nfs/dbraw/zinc/35/08/45/306350845.db2.gz LCPJUGMDOUJQDI-INIZCTEOSA-N 2 0 346.475 1.525 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000413844132 304080228 /nfs/dbraw/zinc/08/02/28/304080228.db2.gz LFSNDQUWGPCYHE-ZACQAIPSSA-N 2 0 338.540 1.780 20 0 EDADRP Cn1cnc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnc21 ZINC000183660378 138786386 /nfs/dbraw/zinc/78/63/86/138786386.db2.gz ANIHMYFAOIHIAO-UHFFFAOYSA-N 2 0 346.479 1.314 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)Nc2ccc(C[NH+](C)C)cc2F)n1 ZINC000565207404 306378351 /nfs/dbraw/zinc/37/83/51/306378351.db2.gz ILYHYTRGQKREPT-UHFFFAOYSA-N 2 0 333.411 1.898 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000565301711 306381273 /nfs/dbraw/zinc/38/12/73/306381273.db2.gz LIDAWQKVKMNGNP-UHFFFAOYSA-N 2 0 348.491 1.834 20 0 EDADRP CCOC[C@H]1CCC[C@H]1[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414195176 304105416 /nfs/dbraw/zinc/10/54/16/304105416.db2.gz NUKIZCRRHCDYKH-QZTJIDSGSA-N 2 0 339.524 1.578 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@]1(C)CCCO1 ZINC000414195387 304105449 /nfs/dbraw/zinc/10/54/49/304105449.db2.gz OAMCOTOBZBXNKW-IRXDYDNUSA-N 2 0 325.497 1.330 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000565828569 306392469 /nfs/dbraw/zinc/39/24/69/306392469.db2.gz WTHOEODCONNZKX-NJAPINKUSA-N 2 0 344.459 1.083 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414484120 304118569 /nfs/dbraw/zinc/11/85/69/304118569.db2.gz NRMOBKQXJBXRIL-UHFFFAOYSA-N 2 0 349.523 1.659 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262669265 296075283 /nfs/dbraw/zinc/07/52/83/296075283.db2.gz MCQZONIVMDILSV-KURKYZTESA-N 2 0 335.492 1.478 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[NH+]1CCCCCC1 ZINC000414694176 304128505 /nfs/dbraw/zinc/12/85/05/304128505.db2.gz DDGYOUCAEVZZKL-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP COc1cc(C[N@H+](C)C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc(OC)c1 ZINC000414710741 304131250 /nfs/dbraw/zinc/13/12/50/304131250.db2.gz SLZQVUCHLMXBPO-AWEZNQCLSA-N 2 0 335.448 1.333 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)[C@H](CO)C2CC2)C1 ZINC000414712686 304131861 /nfs/dbraw/zinc/13/18/61/304131861.db2.gz NVWMXZVHTLOCOD-PKOBYXMFSA-N 2 0 345.487 1.457 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000414721146 304132995 /nfs/dbraw/zinc/13/29/95/304132995.db2.gz FWSGFGNIYOAHLL-AWEZNQCLSA-N 2 0 344.459 1.732 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCC([NH+]3CCCC3)CC2)cc1 ZINC000414720936 304133042 /nfs/dbraw/zinc/13/30/42/304133042.db2.gz DNRRTBOZRRGKBM-AWEZNQCLSA-N 2 0 344.459 1.732 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414727768 304133516 /nfs/dbraw/zinc/13/35/16/304133516.db2.gz BALWFFVPYYVRGD-INIZCTEOSA-N 2 0 332.448 1.321 20 0 EDADRP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC[NH2+]1 ZINC000414757617 304137456 /nfs/dbraw/zinc/13/74/56/304137456.db2.gz LLMDWKINVFVQOG-NBYUQASBSA-N 2 0 329.488 1.960 20 0 EDADRP COc1cc(C[NH2+]CCCN2CC[NH2+]CC2)c(SC)cc1OC ZINC000414780165 304139845 /nfs/dbraw/zinc/13/98/45/304139845.db2.gz KTUNAKUOMXSIJY-UHFFFAOYSA-N 2 0 339.505 1.811 20 0 EDADRP COC(=O)[C@H](C)Oc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000414783693 304140416 /nfs/dbraw/zinc/14/04/16/304140416.db2.gz QZXGDKGLPRQJEJ-HNNXBMFYSA-N 2 0 335.448 1.012 20 0 EDADRP COC(=O)c1ccc(Cl)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414782439 304140171 /nfs/dbraw/zinc/14/01/71/304140171.db2.gz OWHGOKACVPOQIC-UHFFFAOYSA-N 2 0 325.840 1.512 20 0 EDADRP Cc1cc(C)n2c(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cnc2n1 ZINC000414785946 304140606 /nfs/dbraw/zinc/14/06/06/304140606.db2.gz KEUZWSCDVRCWNE-SJORKVTESA-N 2 0 329.448 1.674 20 0 EDADRP CCOc1cc(CN[C@H](C[NH3+])C2CC2)ccc1O[C@H](C)C(=O)N(C)C ZINC000414802451 304142676 /nfs/dbraw/zinc/14/26/76/304142676.db2.gz MWKYRFNURSMCKF-CZUORRHYSA-N 2 0 349.475 1.768 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C(=O)NC(N)=O ZINC000249752090 296135415 /nfs/dbraw/zinc/13/54/15/296135415.db2.gz IDTLYAQBSFBXKI-RBSFLKMASA-N 2 0 346.475 1.838 20 0 EDADRP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)C12CCC2 ZINC000414998297 304149555 /nfs/dbraw/zinc/14/95/55/304149555.db2.gz ZMJZUOVVYYECCM-YIYPIFLZSA-N 2 0 335.414 1.616 20 0 EDADRP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000073331813 203264018 /nfs/dbraw/zinc/26/40/18/203264018.db2.gz FRXLNTMCLRCTCS-MRXNPFEDSA-N 2 0 345.491 1.193 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000415048200 304154238 /nfs/dbraw/zinc/15/42/38/304154238.db2.gz WYEJPMOKOOOVKH-ZFWWWQNUSA-N 2 0 332.448 1.334 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000193616520 138973758 /nfs/dbraw/zinc/97/37/58/138973758.db2.gz WVYGUBQSBGBIKA-CRAIPNDOSA-N 2 0 330.476 1.304 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000415080320 304158069 /nfs/dbraw/zinc/15/80/69/304158069.db2.gz JISPLHOHRVFRGZ-GOSISDBHSA-N 3 0 338.540 1.531 20 0 EDADRP C[C@H](C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(F)cc1F ZINC000415102770 304160153 /nfs/dbraw/zinc/16/01/53/304160153.db2.gz JSXXNADKXNCRFJ-OLZOCXBDSA-N 2 0 325.403 1.855 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)CC[C@@H]2C)c1 ZINC000415124825 304161987 /nfs/dbraw/zinc/16/19/87/304161987.db2.gz NJDCHUHKSBIICB-AWEZNQCLSA-N 2 0 332.448 1.287 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cn1 ZINC000415123146 304162193 /nfs/dbraw/zinc/16/21/93/304162193.db2.gz JBGBHLMJIOIYEH-INIZCTEOSA-N 2 0 329.452 1.425 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H]1C ZINC000351169865 296183802 /nfs/dbraw/zinc/18/38/02/296183802.db2.gz RFRCYZFFENDEFZ-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@H]2CCCC[NH2+]2)[C@@H](c2ccccc2)C1 ZINC000237203121 139044167 /nfs/dbraw/zinc/04/41/67/139044167.db2.gz GGTQEYBWUONFNA-RTBURBONSA-N 2 0 344.503 1.624 20 0 EDADRP COCC[NH2+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000237309463 139047340 /nfs/dbraw/zinc/04/73/40/139047340.db2.gz ROMARKRREBVMCH-INIZCTEOSA-N 2 0 337.439 1.390 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)N1CC[NH+](C)CC1 ZINC000127461526 205101561 /nfs/dbraw/zinc/10/15/61/205101561.db2.gz AONPGJGXEBZBOH-MSOLQXFVSA-N 3 0 348.535 1.914 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1CC12CC[NH2+]CC2)[N@@H+]1CCc2ccccc2C1 ZINC000237432516 139050982 /nfs/dbraw/zinc/05/09/82/139050982.db2.gz XENDYRZNSGAXOD-QAPCUYQASA-N 2 0 327.472 1.939 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2COCCN2)C1 ZINC000237671961 139057632 /nfs/dbraw/zinc/05/76/32/139057632.db2.gz CGLFGJWJVYHHGK-YJBOKZPZSA-N 2 0 331.460 1.523 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000237928866 139064026 /nfs/dbraw/zinc/06/40/26/139064026.db2.gz KVVNRDSVPFFXEP-GOSISDBHSA-N 2 0 331.460 1.320 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000238056340 139067781 /nfs/dbraw/zinc/06/77/81/139067781.db2.gz AHFHMLWXQHACHF-IAGOWNOFSA-N 2 0 333.501 1.862 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000111866158 220214958 /nfs/dbraw/zinc/21/49/58/220214958.db2.gz QFLJQQARJCOYCK-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415239421 304177736 /nfs/dbraw/zinc/17/77/36/304177736.db2.gz OFMCPUBUMNKWEA-ZDUSSCGKSA-N 2 0 332.448 1.465 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000415245515 304178031 /nfs/dbraw/zinc/17/80/31/304178031.db2.gz PECXEGWMBQSAAL-IBGZPJMESA-N 2 0 344.459 1.289 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000415262453 304180701 /nfs/dbraw/zinc/18/07/01/304180701.db2.gz BELAQGQBJDXHKG-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@@H]([NH3+])C3)ccc21 ZINC000415271730 304182303 /nfs/dbraw/zinc/18/23/03/304182303.db2.gz OQOWHEKOVIKXIG-CJNGLKHVSA-N 2 0 330.432 1.124 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)CC1 ZINC000333379198 296243449 /nfs/dbraw/zinc/24/34/49/296243449.db2.gz NKAARJLQLJCVEV-JYJNAYRXSA-N 2 0 345.491 1.999 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC3CC[NH+](C4CC4)CC3)ccn2)CC1 ZINC000102821328 206390206 /nfs/dbraw/zinc/39/02/06/206390206.db2.gz VUXRUCKEBOSBIS-UHFFFAOYSA-N 2 0 343.475 1.190 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@H]([NH3+])C3)cc2)C1 ZINC000415348764 304200028 /nfs/dbraw/zinc/20/00/28/304200028.db2.gz BQDUMBPCUNTPLO-ZBFHGGJFSA-N 2 0 344.459 1.417 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415370782 304206638 /nfs/dbraw/zinc/20/66/38/304206638.db2.gz FHYQMYLTNGHDKQ-HUUCEWRRSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2 ZINC000247251194 139142389 /nfs/dbraw/zinc/14/23/89/139142389.db2.gz ZSUQGHCUYOFRKC-IXYNUQLISA-N 2 0 336.432 1.473 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273409 139143146 /nfs/dbraw/zinc/14/31/46/139143146.db2.gz SJNUDQWHQNFHKW-CZUORRHYSA-N 2 0 330.432 1.140 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000171190591 206670940 /nfs/dbraw/zinc/67/09/40/206670940.db2.gz JXXIZHGWDPGDCD-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CCCN(C(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)[C@H]1CC[NH2+]C1 ZINC000415390929 304212088 /nfs/dbraw/zinc/21/20/88/304212088.db2.gz KVWBAFASOIQOPG-INIZCTEOSA-N 2 0 346.475 1.596 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O)c1ccccc1 ZINC000249378594 139192020 /nfs/dbraw/zinc/19/20/20/139192020.db2.gz ZEEFXTRYFFPNNX-KZNAEPCWSA-N 2 0 333.476 1.498 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000415446728 304220788 /nfs/dbraw/zinc/22/07/88/304220788.db2.gz PPXMLBLYVAXUBO-WMLDXEAASA-N 2 0 346.475 1.663 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000415447533 304221085 /nfs/dbraw/zinc/22/10/85/304221085.db2.gz HERKRPHDVIOVOU-INIZCTEOSA-N 2 0 332.448 1.320 20 0 EDADRP [NH3+]CC1(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000261537767 139208648 /nfs/dbraw/zinc/20/86/48/139208648.db2.gz XARSUNFCDQIXPF-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])C2CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000261613963 139211046 /nfs/dbraw/zinc/21/10/46/139211046.db2.gz BOCWOFGZJSXNKB-ZTFGCOKTSA-N 2 0 331.460 1.520 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2coc(-c3ccccc3)n2)C1 ZINC000261614310 139211259 /nfs/dbraw/zinc/21/12/59/139211259.db2.gz FELSSTDVYQLIBC-HNNXBMFYSA-N 2 0 328.416 1.629 20 0 EDADRP CC(C)n1nccc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000261787888 139225923 /nfs/dbraw/zinc/22/59/23/139225923.db2.gz FZYJCJAYHHCYGP-DOTOQJQBSA-N 2 0 333.480 1.544 20 0 EDADRP Cc1nn(C(C)C)cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000261770239 139224571 /nfs/dbraw/zinc/22/45/71/139224571.db2.gz DPCZQURFDBIXRD-INIZCTEOSA-N 2 0 333.480 1.416 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCN(Cc2cn3ccccc3n2)CC1 ZINC000261775051 139224977 /nfs/dbraw/zinc/22/49/77/139224977.db2.gz OQRBVQPBWYTULL-DOTOQJQBSA-N 2 0 341.459 1.496 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261819046 139228815 /nfs/dbraw/zinc/22/88/15/139228815.db2.gz NXTAOHZEOKGIGJ-YVLXSGLVSA-N 2 0 340.265 1.737 20 0 EDADRP CC[N@H+](C)CCNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261851952 139231508 /nfs/dbraw/zinc/23/15/08/139231508.db2.gz VXLXXUFAOVMPGE-AWEZNQCLSA-N 2 0 328.254 1.691 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000261877705 139233337 /nfs/dbraw/zinc/23/33/37/139233337.db2.gz RIZDBGIDCYEOMU-QGZVFWFLSA-N 2 0 337.508 1.775 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2ccc3c(c2)OCO3)CC1 ZINC000262015944 139244019 /nfs/dbraw/zinc/24/40/19/139244019.db2.gz WCBMKJJIINEMJY-UHFFFAOYSA-N 2 0 333.432 1.353 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1OC ZINC000262042172 139246223 /nfs/dbraw/zinc/24/62/23/139246223.db2.gz PHJPOCNXBIWVDJ-INIZCTEOSA-N 2 0 349.475 1.913 20 0 EDADRP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000262109372 139251507 /nfs/dbraw/zinc/25/15/07/139251507.db2.gz FHEUTJKVSHMXLX-CVEARBPZSA-N 2 0 333.480 1.198 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cn1 ZINC000262137932 139254199 /nfs/dbraw/zinc/25/41/99/139254199.db2.gz YXEHUKCJDXYZRS-INIZCTEOSA-N 2 0 333.480 1.357 20 0 EDADRP O=C(CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000262229350 139261967 /nfs/dbraw/zinc/26/19/67/139261967.db2.gz VEMQRHBRRBPQPP-ZWKOTPCHSA-N 2 0 331.460 1.396 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N2CCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000416833254 251112566 /nfs/dbraw/zinc/11/25/66/251112566.db2.gz CKRLBOFMPVPDOM-IAGOWNOFSA-N 2 0 334.464 1.221 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCCO1 ZINC000416876381 251115572 /nfs/dbraw/zinc/11/55/72/251115572.db2.gz SCNZTRZQUGKHRJ-GOSISDBHSA-N 2 0 346.475 1.542 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)C(F)F ZINC000417007819 251129082 /nfs/dbraw/zinc/12/90/82/251129082.db2.gz LFIOODBBKZUXKQ-CQSZACIVSA-N 2 0 326.391 1.326 20 0 EDADRP C[C@H](NC(=O)N(C)CC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417422549 251167896 /nfs/dbraw/zinc/16/78/96/251167896.db2.gz PBXUBVNRVWYZBH-ZDUSSCGKSA-N 2 0 337.443 1.239 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C[C@@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000262342507 139271639 /nfs/dbraw/zinc/27/16/39/139271639.db2.gz IAVSZWXORVHZMT-QZTJIDSGSA-N 2 0 331.460 1.627 20 0 EDADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCC(C)(C)[NH3+] ZINC000417723801 251243179 /nfs/dbraw/zinc/24/31/79/251243179.db2.gz CMCGLRIBTVSOFM-HNNXBMFYSA-N 2 0 333.480 1.234 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417754925 251256200 /nfs/dbraw/zinc/25/62/00/251256200.db2.gz QJSCRQTVFJUKGD-CVEARBPZSA-N 2 0 327.517 1.077 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)Cc1ccc(F)cc1 ZINC000417833712 251290139 /nfs/dbraw/zinc/29/01/39/251290139.db2.gz UMOQJMHGRSOVTG-JKSUJKDBSA-N 2 0 334.439 1.508 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000417838661 251291969 /nfs/dbraw/zinc/29/19/69/251291969.db2.gz NEKQYQPGAPRLED-HNNXBMFYSA-N 2 0 332.448 1.051 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417806230 251276892 /nfs/dbraw/zinc/27/68/92/251276892.db2.gz AQZXTUXQVZRXRY-IAGOWNOFSA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)CC1 ZINC000417811149 251278871 /nfs/dbraw/zinc/27/88/71/251278871.db2.gz OGXMIPDLODJFSF-CABCVRRESA-N 2 0 326.485 1.268 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC000417944587 251317464 /nfs/dbraw/zinc/31/74/64/251317464.db2.gz CMOYQQDUYUHIHX-UGFHNGPFSA-N 2 0 340.855 1.358 20 0 EDADRP CN1CC[C@@H](NC(=O)N2CCC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944630 251317952 /nfs/dbraw/zinc/31/79/52/251317952.db2.gz CNMUPODUDVERDE-CVEARBPZSA-N 2 0 338.402 1.715 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417992123 251319765 /nfs/dbraw/zinc/31/97/65/251319765.db2.gz LURFNMRSYBZANL-ZTFGCOKTSA-N 2 0 346.475 1.050 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108470 251324866 /nfs/dbraw/zinc/32/48/66/251324866.db2.gz RMBSZDLMXGKUQT-WMZOPIPTSA-N 2 0 330.476 1.807 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000418109377 251325341 /nfs/dbraw/zinc/32/53/41/251325341.db2.gz CMYJGRMSIWUJRE-MRXNPFEDSA-N 2 0 338.496 1.543 20 0 EDADRP COCC1(CNC(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000417850210 251296731 /nfs/dbraw/zinc/29/67/31/251296731.db2.gz MGVXAWCADZXDLY-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP COC[C@]1(CNC(=O)NCC[NH2+]C2CCCCCC2)CCC[NH2+]1 ZINC000418443472 251372423 /nfs/dbraw/zinc/37/24/23/251372423.db2.gz LCKNOVOCRVNEBX-QGZVFWFLSA-N 2 0 326.485 1.367 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418160246 251349509 /nfs/dbraw/zinc/34/95/09/251349509.db2.gz DZTGSSAWUIXBHG-CQSZACIVSA-N 2 0 334.464 1.696 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000418165026 251351115 /nfs/dbraw/zinc/35/11/15/251351115.db2.gz IHDJUYPGOZRNKY-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)C[NH+](C)C)cc1 ZINC000418202090 251356644 /nfs/dbraw/zinc/35/66/44/251356644.db2.gz IMDBKZUTQUNBAB-XKQJLSEDSA-N 2 0 334.464 1.390 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418406090 251365468 /nfs/dbraw/zinc/36/54/68/251365468.db2.gz BQWGOOIDLBUJQU-KRWDZBQOSA-N 2 0 334.464 1.439 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418719831 251396283 /nfs/dbraw/zinc/39/62/83/251396283.db2.gz LEDVQIMZTJIXIR-HZPDHXFCSA-N 2 0 339.528 1.171 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[C@@H]([NH3+])C3)CC2)c1 ZINC000418723036 251399086 /nfs/dbraw/zinc/39/90/86/251399086.db2.gz NJFOHJCEVPRNQU-LSDHHAIUSA-N 2 0 347.463 1.439 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418731494 251401514 /nfs/dbraw/zinc/40/15/14/251401514.db2.gz TVKCOKSXGATWGI-HUUCEWRRSA-N 2 0 326.485 1.038 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418688291 251386249 /nfs/dbraw/zinc/38/62/49/251386249.db2.gz MYBWHLOHOYYUAI-NJAFHUGGSA-N 2 0 348.491 1.296 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]3)c2)CC1 ZINC000262677968 139295534 /nfs/dbraw/zinc/29/55/34/139295534.db2.gz UXVBUOOKSISBKN-INIZCTEOSA-N 2 0 344.459 1.465 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[NH2+][C@H](C)[C@@H]3C)CC2)c1 ZINC000262835574 139306922 /nfs/dbraw/zinc/30/69/22/139306922.db2.gz WFNXOWGZKVISJO-MSOLQXFVSA-N 2 0 344.503 1.716 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262854026 139308269 /nfs/dbraw/zinc/30/82/69/139308269.db2.gz VRGGJPUIFBRGTQ-OWCLPIDISA-N 2 0 333.480 1.658 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000423155784 252039531 /nfs/dbraw/zinc/03/95/31/252039531.db2.gz QYMXMIJEKRZQHZ-CZUORRHYSA-N 2 0 325.478 1.415 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000423778485 252070036 /nfs/dbraw/zinc/07/00/36/252070036.db2.gz TWRYSPLVVWTMAU-HUUCEWRRSA-N 2 0 325.840 1.437 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)COC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423841880 252089193 /nfs/dbraw/zinc/08/91/93/252089193.db2.gz ZYTZWEYKMORIPV-IEBWSBKVSA-N 2 0 345.443 1.078 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424015037 252114764 /nfs/dbraw/zinc/11/47/64/252114764.db2.gz XHAPJGMWHWEGLH-SCTDSRPQSA-N 2 0 327.403 1.953 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424024315 252117023 /nfs/dbraw/zinc/11/70/23/252117023.db2.gz XDFCMZYCKHTDIQ-AEFFLSMTSA-N 3 0 344.503 1.484 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000424051765 252125656 /nfs/dbraw/zinc/12/56/56/252125656.db2.gz KWYNDOMMDGONHD-UHFFFAOYSA-N 2 0 342.487 1.553 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424143887 252141775 /nfs/dbraw/zinc/14/17/75/252141775.db2.gz GTOQAYDZASECCP-HOTGVXAUSA-N 2 0 347.507 1.737 20 0 EDADRP CN(C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000424154770 252146622 /nfs/dbraw/zinc/14/66/22/252146622.db2.gz LXLRPAWBRGQDSF-HIFRSBDPSA-N 2 0 331.464 1.196 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2)CN1CC[NH+](C)CC1 ZINC000424160803 252149944 /nfs/dbraw/zinc/14/99/44/252149944.db2.gz UYBAIRNDORLZAH-CYBMUJFWSA-N 2 0 341.402 1.981 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132967 252135502 /nfs/dbraw/zinc/13/55/02/252135502.db2.gz LNGQWROAQDFFHA-NUEKZKHPSA-N 2 0 331.464 1.244 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000424277981 252188466 /nfs/dbraw/zinc/18/84/66/252188466.db2.gz HNCOAJUKZJCKRY-IUPXNIOVSA-N 2 0 332.444 1.685 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000424414139 252218244 /nfs/dbraw/zinc/21/82/44/252218244.db2.gz GEOSUMSGSRIBMU-UHFFFAOYSA-N 2 0 334.464 1.981 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000424472333 252243976 /nfs/dbraw/zinc/24/39/76/252243976.db2.gz UWKKIAFTYUOZGO-CQSZACIVSA-N 2 0 332.448 1.192 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000415649531 304247567 /nfs/dbraw/zinc/24/75/67/304247567.db2.gz AKPBPWQNYYOFMT-PBHICJAKSA-N 2 0 346.475 1.724 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000570150857 306531380 /nfs/dbraw/zinc/53/13/80/306531380.db2.gz AFVFWQZMYJKFFC-HNNXBMFYSA-N 2 0 334.468 1.537 20 0 EDADRP CC[NH+]1CCCN(c2cc(N3CCC[N@@H+](CC)CC3)ncn2)CC1 ZINC000157723293 285227174 /nfs/dbraw/zinc/22/71/74/285227174.db2.gz GBLLVMYFAMROHP-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C)CC1 ZINC000459806227 255003634 /nfs/dbraw/zinc/00/36/34/255003634.db2.gz MJMHGDLPJNVSOU-CQSZACIVSA-N 2 0 341.496 1.497 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000488832872 255056553 /nfs/dbraw/zinc/05/65/53/255056553.db2.gz SUIYCSILMHJRLH-MSOLQXFVSA-N 2 0 337.508 1.678 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CSC[C@@H]1C ZINC000357763391 285246041 /nfs/dbraw/zinc/24/60/41/285246041.db2.gz RNNDHBOIIZBDJT-XHSDSOJGSA-N 2 0 342.553 1.795 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccccc3OC2)CC1 ZINC000493935518 255227247 /nfs/dbraw/zinc/22/72/47/255227247.db2.gz ILFYIDUNOHDVHY-IBGZPJMESA-N 2 0 347.503 1.360 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415799232 304273989 /nfs/dbraw/zinc/27/39/89/304273989.db2.gz DAUNGVYRQNVBOK-KFWWJZLASA-N 2 0 346.475 1.709 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000296036747 258012112 /nfs/dbraw/zinc/01/21/12/258012112.db2.gz ARFYJTGNZNZKAB-HOTGVXAUSA-N 2 0 349.500 1.597 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)CC[NH+](C)C)CC2)c1 ZINC000264324329 139397383 /nfs/dbraw/zinc/39/73/83/139397383.db2.gz VDZRSSAXOZQTEC-AWEZNQCLSA-N 2 0 335.452 1.262 20 0 EDADRP C(CN1CC[C@@H](C[NH+]2CCCC2)C1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246124475 533364831 /nfs/dbraw/zinc/36/48/31/533364831.db2.gz AOOKGYUSMKNJIX-PMACEKPBSA-N 2 0 334.552 1.822 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000415928142 304285826 /nfs/dbraw/zinc/28/58/26/304285826.db2.gz FIKIGSGZTUJZRY-MRXNPFEDSA-N 2 0 334.464 1.764 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC1 ZINC000270541510 140120009 /nfs/dbraw/zinc/12/00/09/140120009.db2.gz XVCGTVNLGAANEU-RCCFBDPRSA-N 2 0 342.487 1.881 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@H]1c1ccccc1 ZINC000270561029 140123875 /nfs/dbraw/zinc/12/38/75/140123875.db2.gz SXOXFTLNQKFXJY-DLBZAZTESA-N 2 0 346.475 1.188 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000271118359 140240096 /nfs/dbraw/zinc/24/00/96/140240096.db2.gz NKSSWQXOAOLKEF-INIZCTEOSA-N 2 0 346.475 1.131 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H](C)C[NH+]2CCOCC2)c1 ZINC000271182467 140252581 /nfs/dbraw/zinc/25/25/81/140252581.db2.gz YXSULFSFILWBEX-INIZCTEOSA-N 2 0 333.476 1.723 20 0 EDADRP O=C(CN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1)NC1CC1 ZINC000271327415 140278909 /nfs/dbraw/zinc/27/89/09/140278909.db2.gz YJERXQJSNFBDOJ-IBGZPJMESA-N 2 0 342.487 1.157 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000271836795 140358814 /nfs/dbraw/zinc/35/88/14/140358814.db2.gz VHTKHGQSBMRPHL-INIZCTEOSA-N 2 0 333.476 1.818 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCC(C)CC2)CC[NH2+]CC1 ZINC000422852106 285664673 /nfs/dbraw/zinc/66/46/73/285664673.db2.gz AAEQXVLRBJYBJH-INIZCTEOSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332532479 141197473 /nfs/dbraw/zinc/19/74/73/141197473.db2.gz HQDUMTGRCUYMIS-IEAZIUSSSA-N 2 0 334.439 1.650 20 0 EDADRP Cn1ccnc1[C@H]1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000332999151 141248728 /nfs/dbraw/zinc/24/87/28/141248728.db2.gz ANXZEXIHOAURGL-HOCLYGCPSA-N 2 0 331.464 1.936 20 0 EDADRP C[C@@]1(CNC(=O)NCC2([NH+]3CCCC3)CCOCC2)CCC[NH2+]C1 ZINC000333138535 141270390 /nfs/dbraw/zinc/27/03/90/141270390.db2.gz CSDSZQXAWXJING-QGZVFWFLSA-N 2 0 338.496 1.320 20 0 EDADRP Cn1nnc2cc(C[NH+]3CCC([C@H]4OCCC[C@@H]4[NH3+])CC3)ccc21 ZINC000333180535 141276822 /nfs/dbraw/zinc/27/68/22/141276822.db2.gz RULKLTNOBFEXMA-MAUKXSAKSA-N 2 0 329.448 1.687 20 0 EDADRP [NH3+]CC[C@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333501308 141327537 /nfs/dbraw/zinc/32/75/37/141327537.db2.gz HUYXJKCIKXVMAZ-ZXZQKFIBSA-N 2 0 334.508 1.910 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)N1CC(=O)Nc3ccccc31)CC[NH2+]CC2 ZINC000333608617 141344279 /nfs/dbraw/zinc/34/42/79/141344279.db2.gz RPJJSQPVDWSNJQ-AWEZNQCLSA-N 2 0 342.443 1.436 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000333799425 141384126 /nfs/dbraw/zinc/38/41/26/141384126.db2.gz HMYWFSTZONNXPS-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3ccnc(N4CCCC4)c3)C[C@@H]21 ZINC000333867448 141397673 /nfs/dbraw/zinc/39/76/73/141397673.db2.gz SZTPBOWLHJLLEK-CVEARBPZSA-N 2 0 329.448 1.527 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339619927 142097179 /nfs/dbraw/zinc/09/71/79/142097179.db2.gz JULXXDAJJQXCIM-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@](CO)(C(C)C)C2)CC1 ZINC000339712608 142129986 /nfs/dbraw/zinc/12/99/86/142129986.db2.gz XAQOGJAADMLNSN-LJQANCHMSA-N 2 0 339.524 1.706 20 0 EDADRP CC[N@H+](CCNC(=O)NCCN1CCC([NH+](C)C)CC1)C(C)C ZINC000340256284 142321565 /nfs/dbraw/zinc/32/15/65/142321565.db2.gz RJVSEHBIGCQSMP-UHFFFAOYSA-N 2 0 327.517 1.042 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345317034 143077059 /nfs/dbraw/zinc/07/70/59/143077059.db2.gz LKJFEVAHIJVCJD-INIZCTEOSA-N 2 0 342.528 1.453 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCCC2)cc1 ZINC000345713499 143124614 /nfs/dbraw/zinc/12/46/14/143124614.db2.gz NUMJPMSZFOLQDX-HUUCEWRRSA-N 2 0 341.402 1.931 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCC[N@@H+]1C ZINC000345755385 143129401 /nfs/dbraw/zinc/12/94/01/143129401.db2.gz RYHXOSIWCCQREY-SJORKVTESA-N 3 0 341.544 1.384 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000346252648 143183795 /nfs/dbraw/zinc/18/37/95/143183795.db2.gz LPPKIDAYVWDXBH-ZACQAIPSSA-N 2 0 339.524 1.968 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NC2CCN(CC[NH+](C)C)CC2)C[C@H]1C ZINC000346344307 143194210 /nfs/dbraw/zinc/19/42/10/143194210.db2.gz DASOVIVZNLCQRM-HZPDHXFCSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CC2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000346933207 143263139 /nfs/dbraw/zinc/26/31/39/143263139.db2.gz DCIJJDIEHINBKE-IYBDPMFKSA-N 2 0 325.497 1.724 20 0 EDADRP CCOCc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347061099 143277554 /nfs/dbraw/zinc/27/75/54/143277554.db2.gz YLEKQRWANHTGEH-INIZCTEOSA-N 2 0 349.475 1.519 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1)N1CC[NH2+]CC1 ZINC000347100520 143282756 /nfs/dbraw/zinc/28/27/56/143282756.db2.gz LFFSLAAPCDPNNX-MRXNPFEDSA-N 2 0 345.443 1.102 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cccc3c2OCCCO3)C1 ZINC000347183430 143292191 /nfs/dbraw/zinc/29/21/91/143292191.db2.gz XAJDEZKIQUFXSH-HNNXBMFYSA-N 2 0 333.432 1.135 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000416842806 304351107 /nfs/dbraw/zinc/35/11/07/304351107.db2.gz KCIQLQUPLCGNMK-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])Cc1ccccc1 ZINC000416842254 304350624 /nfs/dbraw/zinc/35/06/24/304350624.db2.gz MYZCQIFLTDSLPI-FGTMMUONSA-N 2 0 332.492 1.976 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2C)[C@@H](C)C1 ZINC000362836808 286061467 /nfs/dbraw/zinc/06/14/67/286061467.db2.gz JUOPXFAMMOISEV-TWMKSMIVSA-N 2 0 325.497 1.437 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCCC2)[C@@H](C[NH3+])C1 ZINC000416855838 304352014 /nfs/dbraw/zinc/35/20/14/304352014.db2.gz YQMBVVOBMHJTKV-CVEARBPZSA-N 2 0 340.512 1.789 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N2CC[NH2+]C[C@H]2C)CC1 ZINC000416971730 304357880 /nfs/dbraw/zinc/35/78/80/304357880.db2.gz HIMYNOMJFSPUOQ-MRXNPFEDSA-N 2 0 330.476 1.963 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417030997 304363011 /nfs/dbraw/zinc/36/30/11/304363011.db2.gz PXPYWTDNWOEZLA-YJBOKZPZSA-N 2 0 330.476 1.861 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnn2ccncc12 ZINC000357375388 151011026 /nfs/dbraw/zinc/01/10/26/151011026.db2.gz HPIYFONBBMMRTE-UHFFFAOYSA-N 2 0 332.452 1.075 20 0 EDADRP C[C@H]1CSC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357756276 151139889 /nfs/dbraw/zinc/13/98/89/151139889.db2.gz KVMLIBCFNQEEGS-GJZGRUSLSA-N 2 0 330.542 1.653 20 0 EDADRP C[C@@H](NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1=CC[N@H+](C)CC1 ZINC000357917705 151195375 /nfs/dbraw/zinc/19/53/75/151195375.db2.gz JYVWAJRUHPOFQJ-OAHLLOKOSA-N 2 0 343.475 1.214 20 0 EDADRP O=C([C@@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000357926917 151199046 /nfs/dbraw/zinc/19/90/46/151199046.db2.gz KPIMINGKLWANIO-HBFSDRIKSA-N 2 0 343.471 1.224 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N[C@H](C)CCN1CCOCC1)c1ccccc1 ZINC000358034053 151241816 /nfs/dbraw/zinc/24/18/16/151241816.db2.gz YHQBOFXVMKQXHD-AEFFLSMTSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000358128787 151281785 /nfs/dbraw/zinc/28/17/85/151281785.db2.gz CRMDOTKAGZVYOI-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358183835 151297515 /nfs/dbraw/zinc/29/75/15/151297515.db2.gz FTELVTWFXRIMGK-IRXDYDNUSA-N 2 0 338.496 1.437 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000358254776 151318308 /nfs/dbraw/zinc/31/83/08/151318308.db2.gz QDJGWJCXJWLPKK-RAFMOHDBSA-N 3 0 329.488 1.838 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000358309522 151332834 /nfs/dbraw/zinc/33/28/34/151332834.db2.gz LNNUVYBSXNWYIG-HUUCEWRRSA-N 2 0 332.448 1.612 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000358313848 151334461 /nfs/dbraw/zinc/33/44/61/151334461.db2.gz NWWMRCMQNPGGOO-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C ZINC000358433781 151374352 /nfs/dbraw/zinc/37/43/52/151374352.db2.gz IINSHJBDISEBTB-HOTGVXAUSA-N 2 0 342.528 1.593 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccnc(OCC[NH+](C)C)c2)C[C@@H]1C ZINC000358449365 151380296 /nfs/dbraw/zinc/38/02/96/151380296.db2.gz MJXOIUUJSOUTMK-GJZGRUSLSA-N 2 0 334.464 1.577 20 0 EDADRP O=c1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)nc2ccc(Cl)cn12 ZINC000358498492 151396122 /nfs/dbraw/zinc/39/61/22/151396122.db2.gz CKRDOUGOCPMMPL-UHFFFAOYSA-N 2 0 332.835 1.923 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH2+]C(C)(C)C1)N1CCc2sccc2C1 ZINC000417121830 304374700 /nfs/dbraw/zinc/37/47/00/304374700.db2.gz XGEIPUAZHMYRFK-ZDUSSCGKSA-N 2 0 336.505 1.888 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360756550 152189188 /nfs/dbraw/zinc/18/91/88/152189188.db2.gz VEMQGMSQBUYQPC-INIZCTEOSA-N 2 0 328.526 1.407 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)[C@](C)(O)Cc2ccccc2)CC1 ZINC000360896457 152244842 /nfs/dbraw/zinc/24/48/42/152244842.db2.gz HBLGVHKXXFLUOU-LJQANCHMSA-N 2 0 333.476 1.122 20 0 EDADRP CCC[NH2+]CCNC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1 ZINC000417169619 304380424 /nfs/dbraw/zinc/38/04/24/304380424.db2.gz BXKSJUFYFJFQHP-GOSISDBHSA-N 2 0 348.491 1.667 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417178417 304381161 /nfs/dbraw/zinc/38/11/61/304381161.db2.gz DPFACIKYLOZMDU-ZIAGYGMSSA-N 2 0 328.407 1.441 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000417182791 304381586 /nfs/dbraw/zinc/38/15/86/304381586.db2.gz JKDXUIFQZJZHSF-QZTJIDSGSA-N 2 0 332.492 1.930 20 0 EDADRP CCOC(=O)[C@@H](CC(C)C)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363723682 153039028 /nfs/dbraw/zinc/03/90/28/153039028.db2.gz WXRARUGPYAWGLW-IAGOWNOFSA-N 2 0 325.497 1.676 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCC[NH2+]C1CCCCCC1 ZINC000364004173 153120184 /nfs/dbraw/zinc/12/01/84/153120184.db2.gz RZDPZWPCILLWCQ-MDZRGWNJSA-N 2 0 337.508 1.948 20 0 EDADRP C[C@]1(F)CNCCN(C(=O)NCc2ccccc2-n2ccnc2)C1 ZINC000417263233 304388355 /nfs/dbraw/zinc/38/83/55/304388355.db2.gz KJCLSLOFWZBAFM-KRWDZBQOSA-N 2 0 331.395 1.715 20 0 EDADRP CCSCCCNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000367108304 154011135 /nfs/dbraw/zinc/01/11/35/154011135.db2.gz UAGIJFCVXLTYMT-INIZCTEOSA-N 2 0 342.553 1.940 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1(C)C ZINC000444172462 286417045 /nfs/dbraw/zinc/41/70/45/286417045.db2.gz RLUAKMLOQGUYDL-HLIPFELVSA-N 2 0 347.503 1.808 20 0 EDADRP CN1CCO[C@H](C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000367201064 154039702 /nfs/dbraw/zinc/03/97/02/154039702.db2.gz QYDDWHIHRSSEFC-HKUYNNGSSA-N 2 0 331.460 1.345 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000367641867 154209239 /nfs/dbraw/zinc/20/92/39/154209239.db2.gz FTYUGXCTDCVHJD-QZTJIDSGSA-N 2 0 331.460 1.393 20 0 EDADRP C[NH2+][C@@H](C(=O)N(C)C1CCN(c2ccccn2)CC1)c1cnn(C)c1 ZINC000367649890 154212737 /nfs/dbraw/zinc/21/27/37/154212737.db2.gz AQFBGAZUTTUPDB-QGZVFWFLSA-N 2 0 342.447 1.203 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000368324937 154508202 /nfs/dbraw/zinc/50/82/02/154508202.db2.gz VVTBQJIEUARBBO-QGZVFWFLSA-N 2 0 338.540 1.449 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648964 155119729 /nfs/dbraw/zinc/11/97/29/155119729.db2.gz OYKBIMIKUGZTPX-SJLPKXTDSA-N 2 0 334.508 1.987 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000371819081 156120790 /nfs/dbraw/zinc/12/07/90/156120790.db2.gz PCRKAIJHPURBSC-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H]1C[N@H+](C[C@](C)(O)c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000372333711 156339005 /nfs/dbraw/zinc/33/90/05/156339005.db2.gz SAFDERRVNPQRPA-RLLQIKCJSA-N 2 0 331.504 1.852 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NCc1cncn1C ZINC000378113568 158081896 /nfs/dbraw/zinc/08/18/96/158081896.db2.gz LJPWFNLVWOMHJZ-WMLDXEAASA-N 2 0 342.447 1.525 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378203418 158107605 /nfs/dbraw/zinc/10/76/05/158107605.db2.gz QURZIYYAGPLXNO-IRXDYDNUSA-N 2 0 338.540 1.816 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CCCCCC[NH3+] ZINC000378204040 158107880 /nfs/dbraw/zinc/10/78/80/158107880.db2.gz KNDWCKAREVVARA-ZACQAIPSSA-N 2 0 325.497 1.901 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2C[C@@H]3CCCC[NH+]3C2)CC[N@@H+]1CCOC ZINC000378354657 158148836 /nfs/dbraw/zinc/14/88/36/158148836.db2.gz HQMLESLXHRGPOT-FGTMMUONSA-N 2 0 337.508 1.820 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417907775 304429730 /nfs/dbraw/zinc/42/97/30/304429730.db2.gz HQDAHFXHNUAFKG-ZACQAIPSSA-N 2 0 340.512 1.427 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417913689 304430395 /nfs/dbraw/zinc/43/03/95/304430395.db2.gz QHPQEJDXJGRJQR-HYVNUMGLSA-N 2 0 338.496 1.196 20 0 EDADRP CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186207 162038586 /nfs/dbraw/zinc/03/85/86/162038586.db2.gz JWPBRHUOXSNPRE-IRXDYDNUSA-N 2 0 347.503 1.858 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000352421460 162173029 /nfs/dbraw/zinc/17/30/29/162173029.db2.gz CQZRWVNIWSVQNI-DLBZAZTESA-N 2 0 344.459 1.286 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)NC[C@H]1Cc2ccccc2O1)CC1CCCC1 ZINC000352518635 162226132 /nfs/dbraw/zinc/22/61/32/162226132.db2.gz JAXREURZLJXEME-GOSISDBHSA-N 2 0 345.487 1.947 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC([N@@H+]3CCC[C@@H]3C)CC2)CC1 ZINC000366453436 162384560 /nfs/dbraw/zinc/38/45/60/162384560.db2.gz AUTVMKLPTAJJSW-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418175851 304459943 /nfs/dbraw/zinc/45/99/43/304459943.db2.gz WCQWUMLPUNUPDK-KBPBESRZSA-N 2 0 334.464 1.695 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000073477757 287260743 /nfs/dbraw/zinc/26/07/43/287260743.db2.gz SYRQVANOMHCNEF-QGZVFWFLSA-N 2 0 345.491 1.052 20 0 EDADRP CC(C)(CNC(=O)NCCCC[NH+]1CCOCC1)[NH+]1CCCCC1 ZINC000078536110 287294130 /nfs/dbraw/zinc/29/41/30/287294130.db2.gz QXVRCLCHMMEXOH-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000080674917 287308626 /nfs/dbraw/zinc/30/86/26/287308626.db2.gz ODTWLFAQNWZIMU-KRWDZBQOSA-N 2 0 341.544 1.430 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)C1 ZINC000423344309 287353580 /nfs/dbraw/zinc/35/35/80/287353580.db2.gz XPGIHMNGNXRLDN-CABCVRRESA-N 2 0 333.480 1.349 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000124358357 287397658 /nfs/dbraw/zinc/39/76/58/287397658.db2.gz YCQIQXQNCVBONP-UHFFFAOYSA-N 2 0 346.475 1.549 20 0 EDADRP COCCN(C)C[C@H](O)C[NH+]1CCC(Cc2nccs2)CC1 ZINC000639986195 452318063 /nfs/dbraw/zinc/31/80/63/452318063.db2.gz RLTOPNZKBBKONS-HNNXBMFYSA-N 2 0 327.494 1.337 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)CC1 ZINC000418372458 304487503 /nfs/dbraw/zinc/48/75/03/304487503.db2.gz SYRNELGXOWSMNM-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H](C1CC1)n1nccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000133673179 287542802 /nfs/dbraw/zinc/54/28/02/287542802.db2.gz ADKLJGGKFNPMTH-AWEZNQCLSA-N 2 0 336.484 1.811 20 0 EDADRP C[C@@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)[C@@H]1C[NH3+] ZINC000237402182 273009771 /nfs/dbraw/zinc/00/97/71/273009771.db2.gz AULKMUFPLCKJLV-IEBWSBKVSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@@H](C[NH3+])c3ccccc3)CC2)CCO1 ZINC000237601274 273011123 /nfs/dbraw/zinc/01/11/23/273011123.db2.gz GEZZJGXAJUENNK-YJBOKZPZSA-N 2 0 331.460 1.441 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261749316 273017258 /nfs/dbraw/zinc/01/72/58/273017258.db2.gz LAUGCEXQPVODNL-PKOBYXMFSA-N 2 0 345.487 1.721 20 0 EDADRP OC[C@H]([NH2+]CCOCC[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000273046090 273025671 /nfs/dbraw/zinc/02/56/71/273025671.db2.gz DPYYLRRMCYMEAW-BGYRXZFFSA-N 2 0 344.455 1.649 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000273062207 273026677 /nfs/dbraw/zinc/02/66/77/273026677.db2.gz JEKLJSRRPDOVCJ-MJGOQNOKSA-N 2 0 345.487 1.688 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000276688991 268462285 /nfs/dbraw/zinc/46/22/85/268462285.db2.gz UYLOQALSVBLKAL-DZOHQFGASA-N 2 0 331.460 1.221 20 0 EDADRP C[C@@H](Cn1cccn1)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000273977382 273063954 /nfs/dbraw/zinc/06/39/54/273063954.db2.gz HIFBCQHOBSXQHC-RDJZCZTQSA-N 2 0 329.448 1.280 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000186724597 272946586 /nfs/dbraw/zinc/94/65/86/272946586.db2.gz DQKHTYMNIISSRE-HKUYNNGSSA-N 2 0 344.503 1.703 20 0 EDADRP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(C(=O)/C=C/C[NH+](C)C)C1 ZINC000276137528 273151795 /nfs/dbraw/zinc/15/17/95/273151795.db2.gz YSHGBISRSKYUKQ-LLYBFZRZSA-N 2 0 336.505 1.850 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)c2cccs2)CC1 ZINC000277540684 273204870 /nfs/dbraw/zinc/20/48/70/273204870.db2.gz MANOGFBMQBNJQP-ZNMIVQPWSA-N 2 0 337.489 1.360 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1)[NH+](C)C ZINC000246240193 287733844 /nfs/dbraw/zinc/73/38/44/287733844.db2.gz XKSOQCVXJPMFIR-KLHDSHLOSA-N 2 0 340.512 1.210 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H]1C[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000659855701 452739644 /nfs/dbraw/zinc/73/96/44/452739644.db2.gz JQYIPSZJNPIFHN-ZJPYXAASSA-N 2 0 327.513 1.261 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365085338 276123094 /nfs/dbraw/zinc/12/30/94/276123094.db2.gz DOCKERNMPQNDQF-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@H+](CCNC(=O)NCc1ccccc1OCC[NH+](C)C)C1CC1 ZINC000263752182 276127343 /nfs/dbraw/zinc/12/73/43/276127343.db2.gz QCMAVFJYNHSQFF-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362385233 276334442 /nfs/dbraw/zinc/33/44/42/276334442.db2.gz VADGQWLRQYESED-MRXNPFEDSA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1)[NH+](CC)CC ZINC000345103749 276608107 /nfs/dbraw/zinc/60/81/07/276608107.db2.gz KHGHASAEIGKLBR-KURKYZTESA-N 2 0 338.540 1.591 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000371472505 277107447 /nfs/dbraw/zinc/10/74/47/277107447.db2.gz DZBXUGKBCODHTA-FFZOFVMBSA-N 2 0 329.488 1.604 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCO[C@H](C[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000417012241 277740153 /nfs/dbraw/zinc/74/01/53/277740153.db2.gz WLSHBQBBHMDUPE-HZPDHXFCSA-N 2 0 326.485 1.112 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[N@H+](C)C(C)C)[NH+](C)C)c1 ZINC000101975389 278020191 /nfs/dbraw/zinc/02/01/91/278020191.db2.gz UVTWNBYKJGEFRU-QGZVFWFLSA-N 2 0 336.480 1.937 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417023942 278246636 /nfs/dbraw/zinc/24/66/36/278246636.db2.gz PSYVLJRVTKDJKQ-FUHWJXTLSA-N 2 0 347.507 1.354 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000418745008 278315377 /nfs/dbraw/zinc/31/53/77/278315377.db2.gz GAHDKZGJHXHVIE-ZDUSSCGKSA-N 2 0 332.439 1.747 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CCC[N@@H+]1C ZINC000355083150 279120567 /nfs/dbraw/zinc/12/05/67/279120567.db2.gz NCFTYHYHFXCCFU-CRAIPNDOSA-N 2 0 330.476 1.995 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC1CCOCC1 ZINC000174151814 279328959 /nfs/dbraw/zinc/32/89/59/279328959.db2.gz WGLDPCXHRIYECP-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000358116078 279367392 /nfs/dbraw/zinc/36/73/92/279367392.db2.gz GRUNOJNYVXOUQA-OAHLLOKOSA-N 2 0 327.517 1.040 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N(C)C)CC1 ZINC000181633193 279374110 /nfs/dbraw/zinc/37/41/10/279374110.db2.gz YIBSYRKSDPWSAJ-CQSZACIVSA-N 2 0 336.455 1.706 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCC(=O)NC)CC1 ZINC000093718003 279374952 /nfs/dbraw/zinc/37/49/52/279374952.db2.gz XKKJNDJUJGHTIK-UHFFFAOYSA-N 2 0 332.492 1.787 20 0 EDADRP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000287344979 288215122 /nfs/dbraw/zinc/21/51/22/288215122.db2.gz GNNOGYAZYHQTEZ-AWEZNQCLSA-N 2 0 346.475 1.694 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000345073202 288217421 /nfs/dbraw/zinc/21/74/21/288217421.db2.gz MDXKKLSRARROKU-QRQLOZEOSA-N 2 0 345.487 1.544 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nncn1C ZINC000287357446 288218694 /nfs/dbraw/zinc/21/86/94/288218694.db2.gz PMXWHDKPBFBDJY-MAUKXSAKSA-N 2 0 343.475 1.911 20 0 EDADRP CNS(=O)(=O)CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000287472754 288245486 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289356787 /nfs/dbraw/zinc/35/67/87/289356787.db2.gz XXAIFOJDMSHPSE-ICSRJNTNSA-N 2 0 344.503 1.897 20 0 EDADRP C[NH+](C)[C@H]1CCCN(CC2(CN3CCC[C@H]([NH+](C)C)C3)COC2)C1 ZINC000119383868 289373460 /nfs/dbraw/zinc/37/34/60/289373460.db2.gz YHGTZZREYRWXEP-ROUUACIJSA-N 2 0 338.540 1.055 20 0 EDADRP C[NH+]1CCN(CCOCCN2CC[N@@H+](C)CC2(C)C)C(C)(C)C1 ZINC000347590093 290044581 /nfs/dbraw/zinc/04/45/81/290044581.db2.gz LZWONLWNACPOET-UHFFFAOYSA-N 2 0 326.529 1.055 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCC[NH2+]1 ZINC000417007408 293290185 /nfs/dbraw/zinc/29/01/85/293290185.db2.gz HLIZNTWIZCKYJQ-SJLPKXTDSA-N 2 0 340.512 1.565 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)C(F)(F)F ZINC000416035685 295238640 /nfs/dbraw/zinc/23/86/40/295238640.db2.gz WHLBLNAMKULVBC-OLZOCXBDSA-N 2 0 336.402 1.784 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000418593575 304516279 /nfs/dbraw/zinc/51/62/79/304516279.db2.gz SFGIMLZJBZMNHU-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])CCCCCC1 ZINC000418895427 304545913 /nfs/dbraw/zinc/54/59/13/304545913.db2.gz CYRRJKMBNXGOOX-HUUCEWRRSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000419641116 447313603 /nfs/dbraw/zinc/31/36/03/447313603.db2.gz FCFGZHWEKOEOJW-GOEBONIOSA-N 2 0 346.475 1.052 20 0 EDADRP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420301173 304745779 /nfs/dbraw/zinc/74/57/79/304745779.db2.gz LDHROOGDIPLPHS-MSOLQXFVSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H](C(=O)NCCc1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420320384 304751831 /nfs/dbraw/zinc/75/18/31/304751831.db2.gz BMTPOBGESUYVPC-IPELMVKDSA-N 2 0 345.487 1.562 20 0 EDADRP C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000420476599 304763461 /nfs/dbraw/zinc/76/34/61/304763461.db2.gz IPAGQUYVNRTLSP-UKRRQHHQSA-N 2 0 325.478 1.354 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H](O)Cc1ccc(F)cc1)CC[NH+](C)C ZINC000293681549 303002841 /nfs/dbraw/zinc/00/28/41/303002841.db2.gz VPLWWZDMINZUGM-SFHVURJKSA-N 2 0 325.472 1.544 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)[nH]c1C ZINC000295759908 303262891 /nfs/dbraw/zinc/26/28/91/303262891.db2.gz QCAQBVYNCDWPGL-UHFFFAOYSA-N 2 0 337.464 1.825 20 0 EDADRP C[C@]([NH3+])(C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1)c1ccccc1 ZINC000296480162 303319553 /nfs/dbraw/zinc/31/95/53/303319553.db2.gz QBACCEYCJDLNQT-GOSISDBHSA-N 2 0 325.416 1.304 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)C(F)F ZINC000417670560 303384488 /nfs/dbraw/zinc/38/44/88/303384488.db2.gz OWNBJFLKTTYUEX-LSDHHAIUSA-N 2 0 340.418 1.933 20 0 EDADRP Fc1ccc(-n2cc(C[NH2+]CCN3CC[NH2+]CC3)nn2)cc1Cl ZINC000414862222 447333187 /nfs/dbraw/zinc/33/31/87/447333187.db2.gz GYYJCJIRFQFTFV-UHFFFAOYSA-N 2 0 338.818 1.055 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)/C=C/c3ncc[nH]3)CCCC2)CC1 ZINC000493490784 447334791 /nfs/dbraw/zinc/33/47/91/447334791.db2.gz POHZNQZVTYNMQB-SNAWJCMRSA-N 2 0 332.448 1.963 20 0 EDADRP CC[NH+]1CCN(c2cc(CNc3cc[nH+]cc3C(N)=O)ccn2)CC1 ZINC000302225516 303719216 /nfs/dbraw/zinc/71/92/16/303719216.db2.gz OTZHUTTWEBEUCD-UHFFFAOYSA-N 2 0 340.431 1.330 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000304221379 303749968 /nfs/dbraw/zinc/74/99/68/303749968.db2.gz IYDWFTZOMHLRMN-GOSISDBHSA-N 2 0 333.476 1.571 20 0 EDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(Br)cc1N1CCOCC1 ZINC000414876684 447339306 /nfs/dbraw/zinc/33/93/06/447339306.db2.gz LXNSRSTWDYOTQP-GFCCVEGCSA-N 2 0 342.281 1.970 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400506860 303859243 /nfs/dbraw/zinc/85/92/43/303859243.db2.gz KFVPCERAJBGILP-HUUCEWRRSA-N 2 0 341.496 1.678 20 0 EDADRP CCO[C@H]1C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000411793329 303915068 /nfs/dbraw/zinc/91/50/68/303915068.db2.gz INJZFGPHXXYZAL-SJORKVTESA-N 2 0 337.508 1.913 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCNc2cccc(C)n2)CC[NH2+]CC1 ZINC000422921531 304880349 /nfs/dbraw/zinc/88/03/49/304880349.db2.gz QHXIRDIGYAJKEV-HNNXBMFYSA-N 2 0 334.464 1.713 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)ccc1OCC(=O)N(C)C ZINC000422937665 304880748 /nfs/dbraw/zinc/88/07/48/304880748.db2.gz JSFAJONGRSVEGS-GDBMZVCRSA-N 2 0 349.475 1.640 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccnc2OCC)CC[NH2+]CC1 ZINC000422965291 304881636 /nfs/dbraw/zinc/88/16/36/304881636.db2.gz OJUXDJDXXGRHSY-AWEZNQCLSA-N 2 0 335.448 1.891 20 0 EDADRP O[C@H](CN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCCC1 ZINC000422971655 304881926 /nfs/dbraw/zinc/88/19/26/304881926.db2.gz JIAOYUGVUKYKAQ-KPFFTGBYSA-N 2 0 345.487 1.679 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC000423382851 304894138 /nfs/dbraw/zinc/89/41/38/304894138.db2.gz PEWGDHRSUUVWQE-CVEARBPZSA-N 2 0 331.460 1.891 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423506046 304897651 /nfs/dbraw/zinc/89/76/51/304897651.db2.gz LWWFRHBLMXINBP-MELADBBJSA-N 2 0 325.478 1.729 20 0 EDADRP CCO[C@@H]1C[C@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C12CCC2 ZINC000423893087 304913992 /nfs/dbraw/zinc/91/39/92/304913992.db2.gz CULHPSZZHBWYCE-DLBZAZTESA-N 2 0 337.508 1.996 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)cc1 ZINC000423895785 304914221 /nfs/dbraw/zinc/91/42/21/304914221.db2.gz NJXNIYIMRKPXEY-SQNIBIBYSA-N 2 0 347.459 1.455 20 0 EDADRP C[C@@H](C(=O)N1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)[NH+]1CCCCCC1 ZINC000424039386 304925989 /nfs/dbraw/zinc/92/59/89/304925989.db2.gz OCZMJMYWPQUARE-BBWFWOEESA-N 2 0 335.492 1.478 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000428928928 305020120 /nfs/dbraw/zinc/02/01/20/305020120.db2.gz LSIXBKIDDQTDNT-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP CCC1(CC)[C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@H]1OC ZINC000429288528 305027805 /nfs/dbraw/zinc/02/78/05/305027805.db2.gz WLQHXAVOVQJCJH-IAGOWNOFSA-N 2 0 337.508 1.913 20 0 EDADRP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430614569 305059165 /nfs/dbraw/zinc/05/91/65/305059165.db2.gz ZIAAETLBORIDJB-JKSUJKDBSA-N 2 0 346.475 1.417 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430707821 305062987 /nfs/dbraw/zinc/06/29/87/305062987.db2.gz HOMYMZKAAOJIHL-JKSUJKDBSA-N 2 0 325.497 1.772 20 0 EDADRP Cc1c(C(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430742238 305063767 /nfs/dbraw/zinc/06/37/67/305063767.db2.gz KYJNZQYTQPOTBG-KGLIPLIRSA-N 2 0 348.495 1.504 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430746502 305064033 /nfs/dbraw/zinc/06/40/33/305064033.db2.gz HNQUOYJCFHTJGX-HNNXBMFYSA-N 2 0 331.460 1.523 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034800 305073435 /nfs/dbraw/zinc/07/34/35/305073435.db2.gz AALBLEQQDQXDLP-UHFFFAOYSA-N 2 0 345.487 1.956 20 0 EDADRP COc1ccc(CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)cc1OC ZINC000431041890 305073536 /nfs/dbraw/zinc/07/35/36/305073536.db2.gz ANRGDGYLXUJELQ-UHFFFAOYSA-N 2 0 347.459 1.396 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CCC[NH+](CC)[C@H]1c1cnn(C)c1 ZINC000433280097 305104712 /nfs/dbraw/zinc/10/47/12/305104712.db2.gz ARRLJQLMXRLRKX-QFBILLFUSA-N 2 0 349.523 1.993 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000433294774 305105416 /nfs/dbraw/zinc/10/54/16/305105416.db2.gz NFQQTIGMOQZKEO-IAGOWNOFSA-N 2 0 342.528 1.763 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2CC[NH+](C)CC2)CCCO1 ZINC000433316715 305105519 /nfs/dbraw/zinc/10/55/19/305105519.db2.gz BCQMDTOFDPTSOZ-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433356623 305106276 /nfs/dbraw/zinc/10/62/76/305106276.db2.gz SRYSPDHGMRBPPL-IBGZPJMESA-N 2 0 346.519 1.775 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)CC1 ZINC000433397993 305108006 /nfs/dbraw/zinc/10/80/06/305108006.db2.gz KLBQFAQJVNYFCD-HNNXBMFYSA-N 2 0 334.468 1.197 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[C@@H]2CSCC[NH2+]2)Cc2ccccc2C1 ZINC000434876416 305132167 /nfs/dbraw/zinc/13/21/67/305132167.db2.gz JSVXEKKTAVHHPL-MRXNPFEDSA-N 2 0 333.501 1.297 20 0 EDADRP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435382428 305139572 /nfs/dbraw/zinc/13/95/72/305139572.db2.gz ZUAPYPPYZBZJPS-HOCLYGCPSA-N 2 0 331.460 1.761 20 0 EDADRP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000435389951 305139795 /nfs/dbraw/zinc/13/97/95/305139795.db2.gz NNIHSQQKIOUAQV-INIZCTEOSA-N 2 0 331.460 1.762 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435569186 305142533 /nfs/dbraw/zinc/14/25/33/305142533.db2.gz JDDJEOZKYIBDEO-CQSZACIVSA-N 2 0 336.505 1.954 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC[C@H]3CCOC3)c2)C1 ZINC000438193818 305182792 /nfs/dbraw/zinc/18/27/92/305182792.db2.gz XPEGJAVCXDFFEY-LPHOPBHVSA-N 2 0 345.487 1.900 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000440820646 305212993 /nfs/dbraw/zinc/21/29/93/305212993.db2.gz GRJNQOPJDTWQKM-LBPRGKRZSA-N 2 0 333.402 1.792 20 0 EDADRP CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000441237229 305219364 /nfs/dbraw/zinc/21/93/64/305219364.db2.gz WGRMGYKJVQOHIH-KSZLIROESA-N 2 0 333.476 1.953 20 0 EDADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000444588555 305251187 /nfs/dbraw/zinc/25/11/87/305251187.db2.gz DMGCJTZSGKNSEF-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000444612274 305251682 /nfs/dbraw/zinc/25/16/82/305251682.db2.gz SWTYMTDAXFOSQB-KSZLIROESA-N 2 0 327.513 1.264 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449138885 305307636 /nfs/dbraw/zinc/30/76/36/305307636.db2.gz JLGPBACAYOZBEU-IBGZPJMESA-N 2 0 331.460 1.274 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000449532713 305313095 /nfs/dbraw/zinc/31/30/95/305313095.db2.gz IYQQNYCRGULVOR-GASCZTMLSA-N 2 0 329.448 1.463 20 0 EDADRP CC[C@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+](C)Cc1ccccc1 ZINC000452367698 305393362 /nfs/dbraw/zinc/39/33/62/305393362.db2.gz BTDKKFWUBWVHEI-RTBURBONSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000453138984 305405994 /nfs/dbraw/zinc/40/59/94/305405994.db2.gz WODZDCNGVMKLSE-OAHLLOKOSA-N 2 0 347.507 1.624 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@H]2COCC[NH2+]2)CC1 ZINC000529318189 305908491 /nfs/dbraw/zinc/90/84/91/305908491.db2.gz VZKGGPVDRRVGCH-INIZCTEOSA-N 2 0 326.485 1.032 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NC(C1CC1)C1CC1 ZINC000530238447 305935492 /nfs/dbraw/zinc/93/54/92/305935492.db2.gz AGARAUWEVPWSCU-KRWDZBQOSA-N 2 0 335.492 1.382 20 0 EDADRP Cc1cncc([C@@H](C)[NH2+][C@H]2CCCN(Cc3nccn3C)C2=O)c1 ZINC000545233276 306082878 /nfs/dbraw/zinc/08/28/78/306082878.db2.gz ONGGDCWVULRKRL-ZBFHGGJFSA-N 2 0 327.432 1.965 20 0 EDADRP CC[C@H]1CCCC[C@@H]1OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545954811 306088388 /nfs/dbraw/zinc/08/83/88/306088388.db2.gz SLNWTXPLSIWHCP-IRXDYDNUSA-N 2 0 327.513 1.924 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+][C@@H]2COC[C@H]2O)CC1 ZINC000551093403 306155814 /nfs/dbraw/zinc/15/58/14/306155814.db2.gz KYIXHTFFQPIHMF-MZMPZRCHSA-N 2 0 337.439 1.378 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cn2)CC1 ZINC000555597013 306203762 /nfs/dbraw/zinc/20/37/62/306203762.db2.gz XHMALAWORVJDKE-MRXNPFEDSA-N 2 0 345.491 1.370 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)C(=O)N(C)CCC[NH+](C)C)([NH+](C)C)C1 ZINC000556662226 306212693 /nfs/dbraw/zinc/21/26/93/306212693.db2.gz GIITXVGEJMGJLN-YJBOKZPZSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000414946095 447369865 /nfs/dbraw/zinc/36/98/65/447369865.db2.gz SNCWTHFCKKSSFS-DOMZBBRYSA-N 2 0 330.432 1.086 20 0 EDADRP COC[C@@]1(C[NH2+][C@H](C)CCN2C(=O)c3ccccc3C2=O)CCC[NH2+]1 ZINC000414949818 447370390 /nfs/dbraw/zinc/37/03/90/447370390.db2.gz DHYDKMGYQWRBRE-KUHUBIRLSA-N 2 0 345.443 1.419 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000414951722 447371052 /nfs/dbraw/zinc/37/10/52/447371052.db2.gz HBQMZCWJCILEJR-WQGACYEGSA-N 2 0 330.432 1.244 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC(C)(C)[NH2+]1 ZINC000419725651 447374820 /nfs/dbraw/zinc/37/48/20/447374820.db2.gz SRKXDZOPJCSJMX-GXTWGEPZSA-N 2 0 338.496 1.046 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000458486733 447384195 /nfs/dbraw/zinc/38/41/95/447384195.db2.gz BKQOAGKIWCADRN-GOEBONIOSA-N 2 0 328.526 1.549 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041723 447384335 /nfs/dbraw/zinc/38/43/35/447384335.db2.gz HCLVUEFWKHZNTE-IJEWVQPXSA-N 2 0 345.553 1.897 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000458501820 447390892 /nfs/dbraw/zinc/39/08/92/447390892.db2.gz JIXWHZNKGBRXHL-HOCLYGCPSA-N 2 0 328.526 1.548 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000665356778 453664796 /nfs/dbraw/zinc/66/47/96/453664796.db2.gz XTPUOLZNVAOILJ-CABCVRRESA-N 2 0 326.485 1.005 20 0 EDADRP CC[NH+](CC)CCCNC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000072794874 441259404 /nfs/dbraw/zinc/25/94/04/441259404.db2.gz FBZGVVZTSUOPQU-UHFFFAOYSA-N 2 0 347.507 1.442 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CC[NH+]1CCN(c2ccccn2)CC1)C1CC1 ZINC000072996479 441283869 /nfs/dbraw/zinc/28/38/69/441283869.db2.gz MXBAZKGBFLZEBN-KRWDZBQOSA-N 2 0 345.491 1.050 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075007924 441485246 /nfs/dbraw/zinc/48/52/46/441485246.db2.gz ADKHYPXXXNHXNM-UHFFFAOYSA-N 2 0 327.513 1.532 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2c1cccc2O ZINC000074712073 441460266 /nfs/dbraw/zinc/46/02/66/441460266.db2.gz LFXCHXNHIXIIQR-MRXNPFEDSA-N 2 0 334.464 1.514 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](C)C1)Cc1ccccc1 ZINC000108541088 441461549 /nfs/dbraw/zinc/46/15/49/441461549.db2.gz FJRRXXYXNOKPLU-ZWKOTPCHSA-N 2 0 332.492 1.800 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000108590819 441467473 /nfs/dbraw/zinc/46/74/73/441467473.db2.gz LZAGIRVQRMNWPX-OAHLLOKOSA-N 2 0 347.463 1.264 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+](CCOC)CCOC)CC1 ZINC000158223157 441708465 /nfs/dbraw/zinc/70/84/65/441708465.db2.gz YWHLKOCOCXSNBS-UHFFFAOYSA-N 2 0 335.492 1.923 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000173398481 441734151 /nfs/dbraw/zinc/73/41/51/441734151.db2.gz MFXCFSFQNCLRKQ-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP O=C(CN1CCC[C@@H]([NH+]2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000068299174 441771226 /nfs/dbraw/zinc/77/12/26/441771226.db2.gz GGQXUBKMUJOMDV-GOSISDBHSA-N 2 0 334.508 1.290 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000115818579 441780673 /nfs/dbraw/zinc/78/06/73/441780673.db2.gz VLXQFZICHGOJIL-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@H](CNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCOCC1 ZINC000173673058 441821621 /nfs/dbraw/zinc/82/16/21/441821621.db2.gz KRCRAZYOHPOFLN-BBWFWOEESA-N 2 0 340.512 1.467 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCCC[NH+]2CCOCC2)CCCC1 ZINC000078501330 441937359 /nfs/dbraw/zinc/93/73/59/441937359.db2.gz KOQTYFXXABWMPQ-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000119562585 441940762 /nfs/dbraw/zinc/94/07/62/441940762.db2.gz XMDNDLCOCDLBKQ-GOSISDBHSA-N 2 0 332.492 1.466 20 0 EDADRP Cc1cccc2nc(CN3CC[C@H](C[NH+]4CCCC4)C3)cc(=O)n12 ZINC000150793847 441951783 /nfs/dbraw/zinc/95/17/83/441951783.db2.gz JYLWXGBDJDANJQ-MRXNPFEDSA-N 2 0 326.444 1.921 20 0 EDADRP CC[C@@H](O)CCNC(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000120124891 442013203 /nfs/dbraw/zinc/01/32/03/442013203.db2.gz VCUDRSPNAYBXNL-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC[C@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000079126337 442023631 /nfs/dbraw/zinc/02/36/31/442023631.db2.gz KFFIUOMNTBZWHT-IAGOWNOFSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@H](NC(=O)NC1CCC(C[NH+](C)C)CC1)[C@H](C)N1CCOCC1 ZINC000120561309 442094518 /nfs/dbraw/zinc/09/45/18/442094518.db2.gz ROEUQKOJNDOWLV-JUVOFCAFSA-N 2 0 340.512 1.515 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCN(C(=O)CC)C2)[C@@H](C)C1 ZINC000126474652 442115326 /nfs/dbraw/zinc/11/53/26/442115326.db2.gz AZVCGGJHXRXMNN-YESZJQIVSA-N 2 0 325.497 1.724 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)C2(OC)CC[NH2+]CC2)[NH+](C)C)cc1 ZINC000163603320 442175258 /nfs/dbraw/zinc/17/52/58/442175258.db2.gz HHVMMNQHZJCSLW-QGZVFWFLSA-N 2 0 333.476 1.737 20 0 EDADRP COC1(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)CC[NH2+]CC1 ZINC000166000382 442212764 /nfs/dbraw/zinc/21/27/64/442212764.db2.gz DPWXKIUQOWDJFH-UHFFFAOYSA-N 2 0 333.476 1.912 20 0 EDADRP C(=C/CN1CC[C@H]([NH+]2CCCC2)C1)\CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000170741319 442256115 /nfs/dbraw/zinc/25/61/15/442256115.db2.gz LRIKHEHDRJZTQP-IGMPDDETSA-N 2 0 332.536 1.883 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccs1 ZINC000153241088 442270247 /nfs/dbraw/zinc/27/02/47/442270247.db2.gz UDJSVRMPEAUBDX-OLZOCXBDSA-N 2 0 327.519 1.904 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(=O)N1CCc2ccccc2C1 ZINC000129785047 442331618 /nfs/dbraw/zinc/33/16/18/442331618.db2.gz OTLOMUWGINCZBK-UHFFFAOYSA-N 2 0 344.503 1.141 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000154550746 442345387 /nfs/dbraw/zinc/34/53/87/442345387.db2.gz NNBBTVTXMXPLEH-CYBMUJFWSA-N 2 0 334.420 1.612 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000171908320 442390406 /nfs/dbraw/zinc/39/04/06/442390406.db2.gz NWNKLBOKAHONEM-INIZCTEOSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]1Cn1ccnc1)CN1CCOCC1 ZINC000177541601 442355484 /nfs/dbraw/zinc/35/54/84/442355484.db2.gz BCEWNWJRGWJOFG-CVEARBPZSA-N 2 0 335.452 1.025 20 0 EDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000178119802 442409019 /nfs/dbraw/zinc/40/90/19/442409019.db2.gz RGHUUZBDTWRIAU-CQSZACIVSA-N 2 0 328.464 1.726 20 0 EDADRP COC(=O)[C@]1(C)CC[NH+]([C@@H](C)CC[N@H+]2CC[C@@](C)(C(=O)OC)C2)C1 ZINC000178324103 442425018 /nfs/dbraw/zinc/42/50/18/442425018.db2.gz WQLCBOSFAFBAPO-BMGDILEWSA-N 2 0 340.464 1.535 20 0 EDADRP O=C(c1ccc2c(c1)OCO2)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178956949 442538115 /nfs/dbraw/zinc/53/81/15/442538115.db2.gz SETWZQDWNQLUPR-UHFFFAOYSA-N 2 0 331.416 1.173 20 0 EDADRP O=C1[C@H](N2CC[NH+](CC3CC[NH2+]CC3)CC2)CCN1c1ccccc1 ZINC000178973014 442542355 /nfs/dbraw/zinc/54/23/55/442542355.db2.gz YKXFNBCSBKAULY-LJQANCHMSA-N 2 0 342.487 1.409 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178880041 442512186 /nfs/dbraw/zinc/51/21/86/442512186.db2.gz DBOUPELFSDQSIF-KGLIPLIRSA-N 2 0 334.439 1.364 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000179853284 442512552 /nfs/dbraw/zinc/51/25/52/442512552.db2.gz KRWSBMMMZIXYGV-YJBOKZPZSA-N 2 0 333.476 1.628 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000178879845 442512669 /nfs/dbraw/zinc/51/26/69/442512669.db2.gz FGUKNBHWZSRRNJ-HUUCEWRRSA-N 2 0 348.466 1.754 20 0 EDADRP C[C@@H](C[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1)N1CC[NH+](C)CC1 ZINC000180463906 442605399 /nfs/dbraw/zinc/60/53/99/442605399.db2.gz FASKBYQFQGUOEO-KXBFYZLASA-N 2 0 345.466 1.874 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000186581588 442566229 /nfs/dbraw/zinc/56/62/29/442566229.db2.gz VCWPTFIJGRJBTN-MSOLQXFVSA-N 2 0 338.540 1.783 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C[N@H+](CC)C1CC1)N1CCOCC1 ZINC000135939753 442642831 /nfs/dbraw/zinc/64/28/31/442642831.db2.gz TUNQPPOKGAGMGO-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1COCC[C@@H]1[NH2+]Cc1cccc(OCCN2CCOCC2)c1 ZINC000192514216 442655816 /nfs/dbraw/zinc/65/58/16/442655816.db2.gz TXOUGLDEGYLTIP-APWZRJJASA-N 2 0 334.460 1.912 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CCCOCC1)CC(C)C ZINC000186863471 442622636 /nfs/dbraw/zinc/62/26/36/442622636.db2.gz OUWWDNNBTQQKJR-QGZVFWFLSA-N 2 0 342.528 1.764 20 0 EDADRP CSC[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000187895465 442696878 /nfs/dbraw/zinc/69/68/78/442696878.db2.gz AFBBAKBRJDKYAM-HNNXBMFYSA-N 2 0 345.553 1.126 20 0 EDADRP COC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCOCC1 ZINC000187962092 442700615 /nfs/dbraw/zinc/70/06/15/442700615.db2.gz BGKWWKOQRSARSM-GOSISDBHSA-N 2 0 327.513 1.291 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000188052578 442705686 /nfs/dbraw/zinc/70/56/86/442705686.db2.gz ULIBZLYOILXSJW-BASYENTBSA-N 2 0 341.496 1.134 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC[NH+]1CCCCC1 ZINC000187219942 442661594 /nfs/dbraw/zinc/66/15/94/442661594.db2.gz ZLKFPFLASSJIIG-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000187345101 442671227 /nfs/dbraw/zinc/67/12/27/442671227.db2.gz KCKUNUDKWVYTIJ-HNNXBMFYSA-N 2 0 336.484 1.831 20 0 EDADRP CC[C@H](C(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000188158711 442718542 /nfs/dbraw/zinc/71/85/42/442718542.db2.gz WWWDEWPBPOINOF-MJGOQNOKSA-N 2 0 333.476 1.422 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000246495404 442786125 /nfs/dbraw/zinc/78/61/25/442786125.db2.gz PMVNPTHSZNJLID-QBPKDAKJSA-N 2 0 325.497 1.588 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246382858 442777086 /nfs/dbraw/zinc/77/70/86/442777086.db2.gz IKQDYXWZQLEZJP-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268002845 442813482 /nfs/dbraw/zinc/81/34/82/442813482.db2.gz NWNAYHAFIAXCFO-DLBZAZTESA-N 2 0 334.464 1.980 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCn2ccnc2)CC1 ZINC000182791425 442826356 /nfs/dbraw/zinc/82/63/56/442826356.db2.gz KUCUKCJJOFJTJC-UHFFFAOYSA-N 2 0 349.523 1.689 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCOC[C@H]2C)[C@@H](C)C1 ZINC000247135905 442837286 /nfs/dbraw/zinc/83/72/86/442837286.db2.gz VWNCHKCPPCWXAK-KSZLIROESA-N 2 0 327.513 1.434 20 0 EDADRP CCS(=O)(=O)C[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000183160471 442892208 /nfs/dbraw/zinc/89/22/08/442892208.db2.gz DBHOHKIBVSZREP-CQSZACIVSA-N 2 0 325.478 1.711 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2c2ccccc2)C1 ZINC000265725619 442895297 /nfs/dbraw/zinc/89/52/97/442895297.db2.gz ILCJWRPKSGIGFH-QZTJIDSGSA-N 2 0 346.475 1.405 20 0 EDADRP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000249941983 443009395 /nfs/dbraw/zinc/00/93/95/443009395.db2.gz SZUWOYPJDPPYHU-MAUKXSAKSA-N 2 0 333.476 1.756 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000266137649 443031692 /nfs/dbraw/zinc/03/16/92/443031692.db2.gz PVXQYEOZSNLDMB-IRXDYDNUSA-N 2 0 332.492 1.259 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCNS(C)(=O)=O ZINC000189959982 443037841 /nfs/dbraw/zinc/03/78/41/443037841.db2.gz CUBQEDHSPLIEGR-HUUCEWRRSA-N 2 0 339.505 1.282 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](CO)c1ccccc1)c1ccccc1 ZINC000184618944 443049831 /nfs/dbraw/zinc/04/98/31/443049831.db2.gz GIUWDSRIVGEPNR-RTBURBONSA-N 2 0 341.455 1.729 20 0 EDADRP CO[C@H](C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000268905279 443142387 /nfs/dbraw/zinc/14/23/87/443142387.db2.gz LQAGSZIPAIWLDM-RKVPGOIHSA-N 2 0 333.476 1.897 20 0 EDADRP C[C@@]1(C(=O)N2CCN(CCCOCC(F)(F)F)CC2)CC[NH2+]C1 ZINC000237484757 443173780 /nfs/dbraw/zinc/17/37/80/443173780.db2.gz BWRAJAZJKMNDTN-CQSZACIVSA-N 2 0 337.386 1.099 20 0 EDADRP C[N@H+](CC1CC[NH2+]CC1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000261966908 443176622 /nfs/dbraw/zinc/17/66/22/443176622.db2.gz PYCRUXBFYOSRHI-CQSZACIVSA-N 2 0 340.265 1.907 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@](C)(C[NH3+])C3CC3)CC2)c1 ZINC000237719847 443180866 /nfs/dbraw/zinc/18/08/66/443180866.db2.gz GRCCFVLIWHESHT-HXUWFJFHSA-N 2 0 344.503 1.751 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262204852 443185453 /nfs/dbraw/zinc/18/54/53/443185453.db2.gz WSVDVLQCUSOPMT-WDSOQIARSA-N 2 0 346.519 1.855 20 0 EDADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000237967225 443190383 /nfs/dbraw/zinc/19/03/83/443190383.db2.gz BBSHXHRPMVCIAL-MAUKXSAKSA-N 2 0 329.444 1.054 20 0 EDADRP CC(C)[C@H](C)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299460322 318905045 /nfs/dbraw/zinc/90/50/45/318905045.db2.gz BOVOZJCQXVTMHC-INIZCTEOSA-N 2 0 333.480 1.937 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236978181 443154935 /nfs/dbraw/zinc/15/49/35/443154935.db2.gz XHDIJVWZUPOHGF-CQSZACIVSA-N 2 0 330.480 1.392 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000304374041 318918306 /nfs/dbraw/zinc/91/83/06/318918306.db2.gz QLDXXEAZGQWGAV-GOSISDBHSA-N 2 0 333.476 1.571 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262697733 443207863 /nfs/dbraw/zinc/20/78/63/443207863.db2.gz FIONOQJMCMOJSF-HNNXBMFYSA-N 2 0 325.497 1.900 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000262883461 443216162 /nfs/dbraw/zinc/21/61/62/443216162.db2.gz ZFTFLZQYRIPGKQ-DLBZAZTESA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000269250827 443251210 /nfs/dbraw/zinc/25/12/10/443251210.db2.gz GQOXVHMHLCISNP-NEWSRXKRSA-N 2 0 345.487 1.782 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC[N@H+](C)CC2)ccc1C[NH+](C)C ZINC000411371930 319179846 /nfs/dbraw/zinc/17/98/46/319179846.db2.gz BFAGYRLKKWJPMZ-UHFFFAOYSA-N 2 0 332.448 1.159 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CCCCCC1 ZINC000414654299 319336774 /nfs/dbraw/zinc/33/67/74/319336774.db2.gz BWHQJLJHHHRSLC-UHFFFAOYSA-N 2 0 346.475 1.855 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000414664030 319338274 /nfs/dbraw/zinc/33/82/74/319338274.db2.gz SSEOFDDRYWSOKW-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414662871 319338529 /nfs/dbraw/zinc/33/85/29/319338529.db2.gz QQVDSLMXSWEWRX-AWEZNQCLSA-N 2 0 344.459 1.609 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]1 ZINC000414673025 319339349 /nfs/dbraw/zinc/33/93/49/319339349.db2.gz BKUDBAIYFDBVJA-DLBZAZTESA-N 2 0 330.476 1.631 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414678743 319340606 /nfs/dbraw/zinc/34/06/06/319340606.db2.gz QWYMJVOZYQCJOY-JKSUJKDBSA-N 2 0 349.450 1.737 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000414692318 319343155 /nfs/dbraw/zinc/34/31/55/319343155.db2.gz ATZDRCUZECQKGB-AWEZNQCLSA-N 2 0 332.448 1.193 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415238432 319355615 /nfs/dbraw/zinc/35/56/15/319355615.db2.gz LLGSZHYBFYTIQL-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000415242002 319356172 /nfs/dbraw/zinc/35/61/72/319356172.db2.gz TUDMVQHMYQTCSE-AWEZNQCLSA-N 2 0 347.463 1.402 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000415871622 319380155 /nfs/dbraw/zinc/38/01/55/319380155.db2.gz QPSQSJQFEBNMKC-HNNXBMFYSA-N 2 0 332.448 1.253 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)C1 ZINC000415954546 319384406 /nfs/dbraw/zinc/38/44/06/319384406.db2.gz OHHWKPCRMFLBMN-AWEZNQCLSA-N 2 0 346.353 1.352 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@H](CC[NH3+])C(F)(F)F)C[C@H](C)O1 ZINC000415999312 319388592 /nfs/dbraw/zinc/38/85/92/319388592.db2.gz VUSNFMCAWLSXGK-GRYCIOLGSA-N 2 0 340.390 1.065 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000266880155 443277924 /nfs/dbraw/zinc/27/79/24/443277924.db2.gz ADBCJHFBAROZSH-UHFFFAOYSA-N 2 0 346.519 1.896 20 0 EDADRP Cc1cc(N2CCN(CCN3CCO[C@@H](C)C3)CC2)nc(C(C)C)n1 ZINC000191418623 443292377 /nfs/dbraw/zinc/29/23/77/443292377.db2.gz WIBCVJCSMMRIFA-KRWDZBQOSA-N 2 0 347.507 1.751 20 0 EDADRP COCC1=CCN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000185851164 443269234 /nfs/dbraw/zinc/26/92/34/443269234.db2.gz KRBFVTIXPAWZGW-SFHVURJKSA-N 2 0 331.460 1.684 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H](C)[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000416828467 319464609 /nfs/dbraw/zinc/46/46/09/319464609.db2.gz SGJQRRGWVRARFK-KEYYUXOJSA-N 2 0 334.464 1.867 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416854713 319467694 /nfs/dbraw/zinc/46/76/94/319467694.db2.gz VEQWCGBENXQUJE-SQNIBIBYSA-N 2 0 332.492 1.976 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000264558962 443326449 /nfs/dbraw/zinc/32/64/49/443326449.db2.gz AEFXWLLFQLMQII-MJGOQNOKSA-N 2 0 346.519 1.822 20 0 EDADRP CCOC(=O)N[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191440628 443295522 /nfs/dbraw/zinc/29/55/22/443295522.db2.gz QALSNZLOGGSODM-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000282541212 443369275 /nfs/dbraw/zinc/36/92/75/443369275.db2.gz ZTIILPUJXVSUME-UHFFFAOYSA-N 2 0 331.508 1.797 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccccc1Br ZINC000422934910 319739399 /nfs/dbraw/zinc/73/93/99/319739399.db2.gz GRLQBEIFFPIWDJ-OUCADQQQSA-N 2 0 343.265 1.906 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+][C@H](Cc1ccccc1)C(=O)N1CCOCC1 ZINC000423052205 319749717 /nfs/dbraw/zinc/74/97/17/319749717.db2.gz QCLWHLGWHOMBLI-SJLPKXTDSA-N 2 0 333.476 1.564 20 0 EDADRP C[C@H](O)CCCNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000279418001 443583178 /nfs/dbraw/zinc/58/31/78/443583178.db2.gz IIHKJVHGGWRPSE-INIZCTEOSA-N 2 0 349.479 1.054 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)NC(=O)[C@H](C)C[NH3+])CC1 ZINC000286062994 443638545 /nfs/dbraw/zinc/63/85/45/443638545.db2.gz LWGZBFZIVLLZIN-KGLIPLIRSA-N 2 0 336.455 1.740 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)[C@@]3(c4ccccc4)CC[NH2+]C3)cc2C1 ZINC000449372384 320185339 /nfs/dbraw/zinc/18/53/39/320185339.db2.gz HBXJWXRDZHWMHP-JXFKEZNVSA-N 2 0 336.439 1.767 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)[C@@H]2CC[NH+](C(C)C)C2)C1 ZINC000457500499 320328482 /nfs/dbraw/zinc/32/84/82/320328482.db2.gz CAMKWCHADYSCPS-SJORKVTESA-N 2 0 340.512 1.467 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000458710106 320339030 /nfs/dbraw/zinc/33/90/30/320339030.db2.gz DRKREUQTZGLYLC-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCCOCC[NH+](C)C ZINC000471631988 320352774 /nfs/dbraw/zinc/35/27/74/320352774.db2.gz ADABMHCYZCTEOV-SJLPKXTDSA-N 2 0 348.491 1.384 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(=O)[nH]1 ZINC000471967821 320353136 /nfs/dbraw/zinc/35/31/36/320353136.db2.gz MUEXFPXNAWLDMK-GFCCVEGCSA-N 2 0 326.466 1.337 20 0 EDADRP COC[C@@H](C)OC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280385170 443709534 /nfs/dbraw/zinc/70/95/34/443709534.db2.gz KCKJMJMCZHTJTQ-RSPOEFSDSA-N 2 0 348.487 1.463 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000517922895 320452904 /nfs/dbraw/zinc/45/29/04/320452904.db2.gz YJHWXHZCHOIBNO-GUDVDZBRSA-N 2 0 333.476 1.105 20 0 EDADRP CC[C@@H](C)N(CC(=O)OC)Cc1cnc(N2CCN(C)CC2)nc1 ZINC000281216152 443850641 /nfs/dbraw/zinc/85/06/41/443850641.db2.gz KALRSHAAJHAPAV-CQSZACIVSA-N 2 0 335.452 1.002 20 0 EDADRP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C1CCOCC1 ZINC000537446560 320734702 /nfs/dbraw/zinc/73/47/02/320734702.db2.gz ZBOJXFJLDQVDRP-SJORKVTESA-N 2 0 327.513 1.874 20 0 EDADRP CC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCOC1 ZINC000537488673 320735167 /nfs/dbraw/zinc/73/51/67/320735167.db2.gz YLCAKNOIUPENPJ-OTWHNJEPSA-N 2 0 347.503 1.680 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000553285325 320939760 /nfs/dbraw/zinc/93/97/60/320939760.db2.gz WKCBRWHSYUJZFX-SJORKVTESA-N 2 0 343.475 1.131 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2nnc[nH]2)CC1 ZINC000557117162 321000164 /nfs/dbraw/zinc/00/01/64/321000164.db2.gz BBNRKSFOYVZVHU-UHFFFAOYSA-N 2 0 334.855 1.542 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000557241485 321000827 /nfs/dbraw/zinc/00/08/27/321000827.db2.gz JBFXSMCTQMPGRX-CGTJXYLNSA-N 2 0 348.466 1.912 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc2c(c1)OCO2 ZINC000559580843 321015928 /nfs/dbraw/zinc/01/59/28/321015928.db2.gz BSDSBRGYBQBPDX-AWEZNQCLSA-N 2 0 335.448 1.471 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)CCC[NH2+]1 ZINC000562816223 321078389 /nfs/dbraw/zinc/07/83/89/321078389.db2.gz PKVHRURSULXKGY-GOSISDBHSA-N 2 0 338.496 1.415 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1cccc(F)c1 ZINC000564890344 321155303 /nfs/dbraw/zinc/15/53/03/321155303.db2.gz VRXBSVGSROCDGE-JCYILVPMSA-N 2 0 337.439 1.831 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565881151 321204696 /nfs/dbraw/zinc/20/46/96/321204696.db2.gz BVYWGRUCHGOCRX-QGZVFWFLSA-N 2 0 326.485 1.130 20 0 EDADRP CC[NH2+]CCCNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566058300 321212996 /nfs/dbraw/zinc/21/29/96/321212996.db2.gz UKVMPGIKVAIBTD-HDICACEKSA-N 2 0 330.476 1.759 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000566089384 321214248 /nfs/dbraw/zinc/21/42/48/321214248.db2.gz MDPLJKGJXFGIMF-RLLQIKCJSA-N 2 0 346.519 1.332 20 0 EDADRP [NH3+]CC1CCC([NH2+][C@@H]2CCN(C(=O)COc3ccccc3)C2)CC1 ZINC000566088996 321214281 /nfs/dbraw/zinc/21/42/81/321214281.db2.gz YRFVHRURFAAUPS-OFLPRAFFSA-N 2 0 331.460 1.773 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000567041216 321239811 /nfs/dbraw/zinc/23/98/11/321239811.db2.gz ANXWNSLBEBWDIS-RDJZCZTQSA-N 3 0 338.540 1.591 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CC[NH2+]CC1 ZINC000567587481 321247567 /nfs/dbraw/zinc/24/75/67/321247567.db2.gz MGJPUSNGBLZNOQ-LJHODMEESA-N 2 0 337.508 1.757 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CCc1nnnn1-c1ccccc1)CC[NH2+]CC2 ZINC000567663211 321251768 /nfs/dbraw/zinc/25/17/68/321251768.db2.gz HTSRATODQUXTSB-OAHLLOKOSA-N 2 0 326.448 1.669 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000567735694 321256363 /nfs/dbraw/zinc/25/63/63/321256363.db2.gz PWOYGQDUNZMGON-JKSUJKDBSA-N 2 0 348.491 1.127 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000568884138 321310002 /nfs/dbraw/zinc/31/00/02/321310002.db2.gz IHUAJQMORZXAPZ-ZQIUZPCESA-N 2 0 348.491 1.210 20 0 EDADRP C[N@@H+]1CCC[C@@H](CN[C@@H]2CCCc3c2cnn3-c2ncccn2)C1 ZINC000569185115 321320436 /nfs/dbraw/zinc/32/04/36/321320436.db2.gz QRUHQKXGRAOXPX-GOEBONIOSA-N 2 0 326.448 1.971 20 0 EDADRP CN(CCN1CC[NH2+]CC1)[C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000571450036 321387299 /nfs/dbraw/zinc/38/72/99/321387299.db2.gz NKEGUHBNGGVUJB-GOSISDBHSA-N 2 0 331.439 1.486 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[NH2+][C@@H]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000571554645 321391888 /nfs/dbraw/zinc/39/18/88/321391888.db2.gz FMMZMBQZLDSYAT-YCPHGPKFSA-N 2 0 348.466 1.753 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC[C@H]2CCc3ccccc3N2)CC1 ZINC000571670672 321396166 /nfs/dbraw/zinc/39/61/66/321396166.db2.gz FPIZPNXWVHAULI-MSOLQXFVSA-N 2 0 332.492 1.001 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccccc1-n1ccnn1 ZINC000285969151 444165393 /nfs/dbraw/zinc/16/53/93/444165393.db2.gz GZZDSLDHPMLKFM-QGZVFWFLSA-N 2 0 342.491 1.946 20 0 EDADRP C[C@H](Cc1cccc(O)c1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000574491298 321486344 /nfs/dbraw/zinc/48/63/44/321486344.db2.gz FOIKYEMDWGDUDT-OAHLLOKOSA-N 2 0 336.480 1.458 20 0 EDADRP Cc1cccc2c(N(C)C[C@H](O)C[NH+]3CCN(C)CC3)cc[nH+]c12 ZINC000302661086 444218449 /nfs/dbraw/zinc/21/84/49/444218449.db2.gz LRAPZNDQCVFYTI-INIZCTEOSA-N 2 0 328.460 1.588 20 0 EDADRP NC(=O)c1csc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000305141470 444260614 /nfs/dbraw/zinc/26/06/14/444260614.db2.gz WGTVTQOWCNUQEL-INIZCTEOSA-N 2 0 345.468 1.356 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000290037486 444233798 /nfs/dbraw/zinc/23/37/98/444233798.db2.gz GKFMBWOOQVMUKS-SJORKVTESA-N 2 0 345.491 1.939 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)C[C@H](C)O1 ZINC000304294908 444245618 /nfs/dbraw/zinc/24/56/18/444245618.db2.gz FFTFCCVNCARGRZ-FCGDIQPGSA-N 2 0 339.524 1.264 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)CN1CCN(c2ccccn2)CC1 ZINC000290738405 444316956 /nfs/dbraw/zinc/31/69/56/444316956.db2.gz ZHNISPKXULBWGL-QGZVFWFLSA-N 2 0 347.507 1.440 20 0 EDADRP CCn1nc(C)c(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1C ZINC000307976451 444288878 /nfs/dbraw/zinc/28/88/78/444288878.db2.gz WDLPGTROXDBYDO-WMZOPIPTSA-N 2 0 347.507 1.600 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@@H](Cc3ccccc3)OC)C2)CC1 ZINC000297465299 444289118 /nfs/dbraw/zinc/28/91/18/444289118.db2.gz KKWUMQKXBDGMMJ-VQTJNVASSA-N 2 0 331.504 1.956 20 0 EDADRP C[C@@H]([NH2+]CCS(=O)(=O)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309929946 444290215 /nfs/dbraw/zinc/29/02/15/444290215.db2.gz VMYQSSVYXGIMFH-NVXWUHKLSA-N 2 0 339.505 1.378 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000578507438 321786176 /nfs/dbraw/zinc/78/61/76/321786176.db2.gz QQRNQQWPAGOQNG-HUUCEWRRSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1)[NH+]1CC(C)C1 ZINC000579372383 321928598 /nfs/dbraw/zinc/92/85/98/321928598.db2.gz NWCMBLXLNWCGSS-KRWDZBQOSA-N 2 0 336.524 1.203 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CCCO[C@H](C[NH3+])C2)C1 ZINC000332052957 444499422 /nfs/dbraw/zinc/49/94/22/444499422.db2.gz YHQWDUXRFWKLIM-OWCLPIDISA-N 2 0 340.512 1.502 20 0 EDADRP CN1CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(C(F)(F)F)c2)[C@H](C[NH3+])C1 ZINC000580071672 322005865 /nfs/dbraw/zinc/00/58/65/322005865.db2.gz FJQDUTALRVOJKI-RBSFLKMASA-N 2 0 341.377 1.910 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@@H](C)[NH3+] ZINC000580559583 322067372 /nfs/dbraw/zinc/06/73/72/322067372.db2.gz OOPZVTAYVAJCOP-RHSMWYFYSA-N 2 0 333.480 1.069 20 0 EDADRP CN1CCC(CNC(=O)N2CCC[C@@H]2C[NH3+])([NH+]2CCCCC2)CC1 ZINC000580763705 322092037 /nfs/dbraw/zinc/09/20/37/322092037.db2.gz OYZVNWZEKDUHCJ-MRXNPFEDSA-N 2 0 337.512 1.069 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000580823981 322099936 /nfs/dbraw/zinc/09/99/36/322099936.db2.gz MBYFPAWOCFLVPW-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP COCCOc1ccc(CNC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000581076239 322132901 /nfs/dbraw/zinc/13/29/01/322132901.db2.gz AFCWSJFGZVALDR-UHFFFAOYSA-N 2 0 349.475 1.389 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)CCC[NH3+])c1ccsc1 ZINC000581143925 322141944 /nfs/dbraw/zinc/14/19/44/322141944.db2.gz XUXVURQARILMMG-AWEZNQCLSA-N 2 0 340.493 1.054 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)C(C)(C)[C@@H]([NH3+])c3ccccc3)[C@H]2C1 ZINC000332189555 444504421 /nfs/dbraw/zinc/50/44/21/444504421.db2.gz XLAOYFLDLPCJAC-ULQDDVLXSA-N 2 0 331.460 1.644 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000581241363 322153340 /nfs/dbraw/zinc/15/33/40/322153340.db2.gz JQYRYLFFNNIWME-HUUCEWRRSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000581418473 322175053 /nfs/dbraw/zinc/17/50/53/322175053.db2.gz NKIBNUFTVLQEBV-CALCHBBNSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000581822655 322220820 /nfs/dbraw/zinc/22/08/20/322220820.db2.gz HVEKQUOJSJHECH-CABCVRRESA-N 2 0 336.480 1.595 20 0 EDADRP C[C@@H](NCC1([NH3+])CCC1)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000342142466 444530586 /nfs/dbraw/zinc/53/05/86/444530586.db2.gz QELIGFNQYLBXQA-MRXNPFEDSA-N 2 0 344.503 1.627 20 0 EDADRP CCCCN(CC)C(=O)CN1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343703880 444531071 /nfs/dbraw/zinc/53/10/71/444531071.db2.gz DAYJVFOMZLGLFD-QGZVFWFLSA-N 2 0 338.540 1.735 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NC[C@H]2CCCn3ccnc32)C1 ZINC000332851136 444572855 /nfs/dbraw/zinc/57/28/55/444572855.db2.gz WFDDDCDTTKTBJJ-OWCLPIDISA-N 2 0 331.464 1.886 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@H](O)C[C@H]2C)CC1 ZINC000340915225 444573939 /nfs/dbraw/zinc/57/39/39/444573939.db2.gz IHMDFSJCVVXZTL-VQIMIIECSA-N 2 0 345.487 1.531 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000340843694 444538167 /nfs/dbraw/zinc/53/81/67/444538167.db2.gz IDPOLYAHKHIMKV-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+]1CCCC[C@@H]1C ZINC000340941651 444588105 /nfs/dbraw/zinc/58/81/05/444588105.db2.gz UHUBHHHHNYABMY-JKSUJKDBSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000340949134 444591304 /nfs/dbraw/zinc/59/13/04/444591304.db2.gz CRCAVIURFBNEHT-NVXWUHKLSA-N 2 0 348.491 1.909 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000333441746 444672291 /nfs/dbraw/zinc/67/22/91/444672291.db2.gz WFLBGMHWCULLAJ-HUUCEWRRSA-N 2 0 331.464 1.610 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000343873926 444640063 /nfs/dbraw/zinc/64/00/63/444640063.db2.gz NEQUIBPFBHHXLE-MRXNPFEDSA-N 2 0 339.480 1.382 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CCCn3ccnc32)CC[N@@H+]1CC(C)(C)O ZINC000333120368 444640382 /nfs/dbraw/zinc/64/03/82/444640382.db2.gz ZSKNIRZDEGWSPC-LSDHHAIUSA-N 2 0 349.479 1.247 20 0 EDADRP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343968958 444701253 /nfs/dbraw/zinc/70/12/53/444701253.db2.gz BLAQILKWDHOWDU-YJBOKZPZSA-N 2 0 332.492 1.984 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000343987073 444710940 /nfs/dbraw/zinc/71/09/40/444710940.db2.gz SDFIJPYTYRHNCF-PKOBYXMFSA-N 2 0 331.508 1.524 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000333920386 444718991 /nfs/dbraw/zinc/71/89/91/444718991.db2.gz PVXOGWXQUJGNMM-QTMHVTGLSA-N 2 0 342.487 1.758 20 0 EDADRP COC(=O)CCC[NH+]1CCC(NCC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000342513076 444725019 /nfs/dbraw/zinc/72/50/19/444725019.db2.gz WNKAWBYPLJIDGS-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000341120688 444684089 /nfs/dbraw/zinc/68/40/89/444684089.db2.gz KQPQENXAPBJWMU-LSDHHAIUSA-N 2 0 340.512 1.658 20 0 EDADRP COCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)CC[NH2+]CC1 ZINC000333635644 444687408 /nfs/dbraw/zinc/68/74/08/444687408.db2.gz HHQHZLJZBBULAJ-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP COCCCn1nccc1CNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000338434395 444693387 /nfs/dbraw/zinc/69/33/87/444693387.db2.gz AZLNMIBIEYHRQI-MSOLQXFVSA-N 2 0 336.480 1.387 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)N1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000333763590 444695966 /nfs/dbraw/zinc/69/59/66/444695966.db2.gz AUMSWNAYIOXGSX-XIRDDKMYSA-N 2 0 336.480 1.023 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341272087 444757073 /nfs/dbraw/zinc/75/70/73/444757073.db2.gz BIKFEVZFISKDGV-INIZCTEOSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000625540439 450416621 /nfs/dbraw/zinc/41/66/21/450416621.db2.gz ITLIUSFXSTTYHK-TWMKSMIVSA-N 2 0 327.513 1.778 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H](C)CN1CC[NH+](CC)CC1 ZINC000341423541 444821589 /nfs/dbraw/zinc/82/15/89/444821589.db2.gz LEDLLJMDTZNISY-DLBZAZTESA-N 2 0 326.529 1.497 20 0 EDADRP COCC[N@H+](CCCN1CC[NH+](C(C)C)CC1)[C@@H]1CCO[C@H]1C ZINC000337380144 445056570 /nfs/dbraw/zinc/05/65/70/445056570.db2.gz YEZPWPYLUVWSJV-ZWKOTPCHSA-N 2 0 327.513 1.528 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCC(=O)NC(=O)Nc3ccccc3)C[C@@H]21 ZINC000342111834 445177529 /nfs/dbraw/zinc/17/75/29/445177529.db2.gz UOFDXDNBPNVEFY-CWRNSKLLSA-N 2 0 330.432 1.784 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H](N2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000339514132 445147217 /nfs/dbraw/zinc/14/72/17/445147217.db2.gz LCJSDHKHFRRDOH-OALUTQOASA-N 2 0 345.487 1.830 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C[C@H](C)O1 ZINC000343243953 445157196 /nfs/dbraw/zinc/15/71/96/445157196.db2.gz GNTBGYCVKSPCBK-APAFKAMOSA-N 2 0 339.524 1.623 20 0 EDADRP C[C@@H]1COCCN1CC[N@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346897954 445227278 /nfs/dbraw/zinc/22/72/78/445227278.db2.gz SICANFFDCCDSTB-ZHALLVOQSA-N 2 0 349.523 1.456 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)C1 ZINC000347856222 445251249 /nfs/dbraw/zinc/25/12/49/445251249.db2.gz WDYKZYKVFQCWOC-CRAIPNDOSA-N 2 0 325.460 2.485 20 0 EDADRP CC(C)[N@H+](C)CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000343590034 445253491 /nfs/dbraw/zinc/25/34/91/445253491.db2.gz WWHAZBCIFDUWAY-UHFFFAOYSA-N 2 0 346.475 1.663 20 0 EDADRP CCOC(=O)C[C@H](C)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000343599742 445257867 /nfs/dbraw/zinc/25/78/67/445257867.db2.gz DUKIPIDEHGPPBB-ZDUSSCGKSA-N 2 0 325.453 1.003 20 0 EDADRP COc1nc(C)cc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000354521378 445276785 /nfs/dbraw/zinc/27/67/85/445276785.db2.gz HYTYQCMYFADVDB-UHFFFAOYSA-N 2 0 342.447 1.813 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1C[C@H](OC)C[C@H]1C[NH+]1CCCC1 ZINC000348126519 445282738 /nfs/dbraw/zinc/28/27/38/445282738.db2.gz JQTIZFSRUPGIAC-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP Cn1cc(CC[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)cn1 ZINC000348275963 445336024 /nfs/dbraw/zinc/33/60/24/445336024.db2.gz LXVJCBMSINSXRL-UHFFFAOYSA-N 2 0 349.523 1.379 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1 ZINC000354686224 445340437 /nfs/dbraw/zinc/34/04/37/445340437.db2.gz ZJSTXGLGEZVXDY-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2cccnc2)[C@H](C)C1 ZINC000348684327 445347400 /nfs/dbraw/zinc/34/74/00/445347400.db2.gz PCGRTQDPWHAFBN-NEWSRXKRSA-N 2 0 335.492 1.884 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C1 ZINC000348703200 445349261 /nfs/dbraw/zinc/34/92/61/445349261.db2.gz NINVCXVFRNEYGP-RCCFBDPRSA-N 2 0 337.508 1.961 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cnn(C)c1 ZINC000351904287 445365353 /nfs/dbraw/zinc/36/53/53/445365353.db2.gz GBLWHICAVYWNAR-HOTGVXAUSA-N 2 0 339.459 1.133 20 0 EDADRP C[C@H](C(=O)NC[C@@]1([NH+](C)C)CCSC1)N1CCc2ccccc2C1 ZINC000359685059 445374345 /nfs/dbraw/zinc/37/43/45/445374345.db2.gz LEGXGNRFJIGHPU-BEFAXECRSA-N 2 0 347.528 1.987 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000357073312 445408204 /nfs/dbraw/zinc/40/82/04/445408204.db2.gz AWEQDFIUMLFZMN-IJEWVQPXSA-N 2 0 336.484 1.052 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000359710505 445387106 /nfs/dbraw/zinc/38/71/06/445387106.db2.gz CEUQWSPHUAGVCJ-QFBILLFUSA-N 2 0 334.483 1.878 20 0 EDADRP CC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)[C@@H]1CCOC(C)(C)C1 ZINC000351950600 445394569 /nfs/dbraw/zinc/39/45/69/445394569.db2.gz WOOAPGUPBNXWOF-MRXNPFEDSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCO1 ZINC000362637579 445473536 /nfs/dbraw/zinc/47/35/36/445473536.db2.gz HSJOPNNSBKHKRJ-PMPSAXMXSA-N 2 0 338.496 1.269 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000352075374 445475141 /nfs/dbraw/zinc/47/51/41/445475141.db2.gz SFQBDJSUQZKKTC-IAGOWNOFSA-N 2 0 339.505 1.693 20 0 EDADRP CN(C)c1nccc(N2C[C@H](F)C[C@@H]2CN(C)Cc2cc[nH]n2)n1 ZINC000354917834 445433546 /nfs/dbraw/zinc/43/35/46/445433546.db2.gz IALQQBGPFJMYDX-TZMCWYRMSA-N 2 0 333.415 1.315 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NCc1cc(F)cc(F)c1 ZINC000357108661 445433602 /nfs/dbraw/zinc/43/36/02/445433602.db2.gz UJIMWUWZQBPWBD-OAHLLOKOSA-N 2 0 337.414 1.903 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000362794784 445553110 /nfs/dbraw/zinc/55/31/10/445553110.db2.gz NWNBLWJSCLSYST-HZPDHXFCSA-N 2 0 331.464 1.508 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccccc2C[NH+](C)C)CC[N@@H+]1C[C@H](C)O ZINC000362862848 445585777 /nfs/dbraw/zinc/58/57/77/445585777.db2.gz LDVUZUFZFSSNBH-DOTOQJQBSA-N 2 0 333.476 1.665 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000355941537 445538747 /nfs/dbraw/zinc/53/87/47/445538747.db2.gz LLDANAFRWFMKJB-QGZVFWFLSA-N 2 0 342.528 1.857 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000357320645 445546275 /nfs/dbraw/zinc/54/62/75/445546275.db2.gz ZEKQWXZBESWTLT-MDZRGWNJSA-N 2 0 344.503 1.550 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+](C)C)[C@@H](C)C1 ZINC000353434369 445600410 /nfs/dbraw/zinc/60/04/10/445600410.db2.gz DGWKGQLZQMQSLJ-JYJNAYRXSA-N 2 0 328.501 1.373 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000356101444 445621941 /nfs/dbraw/zinc/62/19/41/445621941.db2.gz QZYUDXNTCAJFCK-INIZCTEOSA-N 2 0 338.540 1.639 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000360283292 445675917 /nfs/dbraw/zinc/67/59/17/445675917.db2.gz GRZWUTAOIWFYIS-IAGOWNOFSA-N 2 0 340.512 1.518 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000356219490 445681781 /nfs/dbraw/zinc/68/17/81/445681781.db2.gz FFIUYVGQZUFRHY-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000353659731 445695807 /nfs/dbraw/zinc/69/58/07/445695807.db2.gz BDUJQTFTLURUDE-DOTOQJQBSA-N 2 0 333.476 1.986 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCN(c2cc[nH+]cc2OC)CC1)C(C)C ZINC000353686223 445706074 /nfs/dbraw/zinc/70/60/74/445706074.db2.gz FKPAMYIPBYTNNM-UHFFFAOYSA-N 2 0 349.479 1.652 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C3CCOCC3)C2)C1 ZINC000356293115 445722348 /nfs/dbraw/zinc/72/23/48/445722348.db2.gz HMUQGTXZRBACOF-HKUYNNGSSA-N 2 0 335.492 1.574 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358708694 445733087 /nfs/dbraw/zinc/73/30/87/445733087.db2.gz QRCZMHGBDNFCIX-DOTOQJQBSA-N 2 0 326.485 1.007 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)C1(C(=O)OC)CCC1 ZINC000361107509 445748375 /nfs/dbraw/zinc/74/83/75/445748375.db2.gz PYZXMBVVCORLOE-WBVHZDCISA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@H+](CCCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000361453786 445767537 /nfs/dbraw/zinc/76/75/37/445767537.db2.gz JJNFLAJICHOLAK-UHFFFAOYSA-N 2 0 333.476 1.603 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC[N@@H+]1CCOC ZINC000358868285 445821078 /nfs/dbraw/zinc/82/10/78/445821078.db2.gz WARLSCSFPYRGPC-IAGOWNOFSA-N 2 0 337.439 1.437 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000353952036 445824819 /nfs/dbraw/zinc/82/48/19/445824819.db2.gz NIMJEOFBDVXAQI-INMHGKMJSA-N 2 0 340.537 1.692 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000363389260 445783530 /nfs/dbraw/zinc/78/35/30/445783530.db2.gz IMSARHJWNQPUNY-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000363457267 445812836 /nfs/dbraw/zinc/81/28/36/445812836.db2.gz RRKFNZKRQLVIMD-AZUAARDMSA-N 2 0 331.504 1.854 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000369109084 445934228 /nfs/dbraw/zinc/93/42/28/445934228.db2.gz QADPQQVYDJMDIM-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP COCC[C@@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000361717834 445896068 /nfs/dbraw/zinc/89/60/68/445896068.db2.gz IZTDGSXXLRSOMJ-FQEVSTJZSA-N 2 0 345.487 1.567 20 0 EDADRP C[N@H+](CCNC(=O)C1([NH3+])Cc2ccccc2C1)Cc1ccc(F)cc1 ZINC000361719476 445896511 /nfs/dbraw/zinc/89/65/11/445896511.db2.gz UEFMONQKPPVBSH-UHFFFAOYSA-N 2 0 341.430 1.870 20 0 EDADRP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000372908277 445915824 /nfs/dbraw/zinc/91/58/24/445915824.db2.gz SQOZZLMMHVMFGR-CGTJXYLNSA-N 2 0 331.460 1.659 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCC3CC[NH+](C4CC4)CC3)CC[C@H]21 ZINC000372997811 445967110 /nfs/dbraw/zinc/96/71/10/445967110.db2.gz KIXWEUQDJPCINF-SJLPKXTDSA-N 2 0 334.508 1.987 20 0 EDADRP O=C([C@@H]1CCCc2nccn21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000366040596 445977055 /nfs/dbraw/zinc/97/70/55/445977055.db2.gz MVPFYEAPKCNYQW-INIZCTEOSA-N 2 0 331.464 1.001 20 0 EDADRP O=C(CN1CC[NH+](CCC2CC[NH2+]CC2)CC1)Nc1ccc(F)cc1 ZINC000359206231 446036147 /nfs/dbraw/zinc/03/61/47/446036147.db2.gz HIEFFXHPGXYAJO-UHFFFAOYSA-N 2 0 348.466 1.772 20 0 EDADRP COc1ccc(COC[C@H](O)C[NH2+]CCC2CC[NH+](C)CC2)cc1 ZINC000583625965 326106226 /nfs/dbraw/zinc/10/62/26/326106226.db2.gz ACFCCDMRQUEWSM-GOSISDBHSA-N 2 0 336.476 1.894 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCNC[C@@H]2c2cccc(F)c2)CC1 ZINC000583861526 326153888 /nfs/dbraw/zinc/15/38/88/326153888.db2.gz KZMBUPQOCIQMKH-OFLPRAFFSA-N 2 0 335.423 1.585 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])C1 ZINC000583932762 326167991 /nfs/dbraw/zinc/16/79/91/326167991.db2.gz IKAWVBRRMWDYMR-YJBOKZPZSA-N 2 0 330.476 1.986 20 0 EDADRP CN1CCN(C)[C@@H](C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000584287041 326235695 /nfs/dbraw/zinc/23/56/95/326235695.db2.gz RRCJUSHYHWLFNR-PMACEKPBSA-N 2 0 327.472 1.579 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2Cn2cccn2)CC1 ZINC000369331479 446079595 /nfs/dbraw/zinc/07/95/95/446079595.db2.gz XDZAEDBIMPOULB-SFHVURJKSA-N 2 0 347.507 1.727 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000373192728 446089314 /nfs/dbraw/zinc/08/93/14/446089314.db2.gz WANBEVVFQGANJD-GBESFXJTSA-N 2 0 344.503 1.895 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCCCN3C(=O)c4ccccc4C3=O)C[C@H]12 ZINC000351497128 446102833 /nfs/dbraw/zinc/10/28/33/446102833.db2.gz SWIJLFYYQXAANO-RRQGHBQHSA-N 2 0 327.428 1.732 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000361964795 446112820 /nfs/dbraw/zinc/11/28/20/446112820.db2.gz CHYNSYNOVLLQIB-XIRDDKMYSA-N 2 0 336.476 1.927 20 0 EDADRP COC1(CO)CCN(Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000373244826 446117980 /nfs/dbraw/zinc/11/79/80/446117980.db2.gz LOLIDIHOJMSHPI-UHFFFAOYSA-N 2 0 339.505 1.883 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@H]1C ZINC000354330860 446118400 /nfs/dbraw/zinc/11/84/00/446118400.db2.gz BEVXLBSVUHUXHL-SZMVWBNQSA-N 2 0 339.524 1.827 20 0 EDADRP COCC[C@]1(C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]C1 ZINC000366343716 446165078 /nfs/dbraw/zinc/16/50/78/446165078.db2.gz CQLSPBVSAFQWNU-GOSISDBHSA-N 2 0 325.497 1.773 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015200 446175274 /nfs/dbraw/zinc/17/52/74/446175274.db2.gz BSZOMIKIMUEZCN-BZSNNMDCSA-N 2 0 336.524 1.249 20 0 EDADRP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccnc1 ZINC000359370622 446178279 /nfs/dbraw/zinc/17/82/79/446178279.db2.gz JSPMHTHDALRWOK-LJQANCHMSA-N 2 0 334.508 1.758 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369681452 446146229 /nfs/dbraw/zinc/14/62/29/446146229.db2.gz LYNKXHDZBXBDFK-OAHLLOKOSA-N 2 0 348.495 2.146 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000365339730 446157923 /nfs/dbraw/zinc/15/79/23/446157923.db2.gz MPGBRILSDBYBPQ-PVAVHDDUSA-N 2 0 338.496 1.269 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000370280106 446211202 /nfs/dbraw/zinc/21/12/02/446211202.db2.gz DOJJCYJGUHUDKD-GDBMZVCRSA-N 2 0 334.464 1.981 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)c1 ZINC000365528963 446242118 /nfs/dbraw/zinc/24/21/18/446242118.db2.gz RXYMDHWHHCKGDV-RTBURBONSA-N 2 0 345.487 1.979 20 0 EDADRP CCOc1cc(C[NH+]2CCC(NC(=O)C[NH+](C)C)CC2)ccc1O ZINC000373589846 446274361 /nfs/dbraw/zinc/27/43/61/446274361.db2.gz YOCPUTSXOADDRL-UHFFFAOYSA-N 2 0 335.448 1.433 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000365663945 446292789 /nfs/dbraw/zinc/29/27/89/446292789.db2.gz QFUYQCQJKDBNEQ-KBMXLJTQSA-N 2 0 329.448 1.889 20 0 EDADRP OC(C[NH+]1CC[C@H]([C@@H]2CCOC2)C1)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000365712871 446311366 /nfs/dbraw/zinc/31/13/66/446311366.db2.gz PRTVSRQKOIABMI-WNRNVDISSA-N 2 0 338.492 1.064 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000417365793 446349799 /nfs/dbraw/zinc/34/97/99/446349799.db2.gz MNNQJNDLEWFLRV-LSDHHAIUSA-N 2 0 336.505 1.963 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417368541 446350200 /nfs/dbraw/zinc/35/02/00/446350200.db2.gz RDPJMYKPUZNBLS-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417505702 446356813 /nfs/dbraw/zinc/35/68/13/446356813.db2.gz KJRQTSGPADWQAU-HNNXBMFYSA-N 2 0 346.475 1.147 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@@H](C[NH3+])C1 ZINC000417533465 446363079 /nfs/dbraw/zinc/36/30/79/446363079.db2.gz MSHOIHHKXZDOQH-KLHDSHLOSA-N 2 0 326.485 1.397 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000417546678 446364192 /nfs/dbraw/zinc/36/41/92/446364192.db2.gz MYELHGDUQMMXQZ-QGZVFWFLSA-N 2 0 348.491 1.875 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2(C)CC[NH2+]CC2)[C@@H](C)C1 ZINC000417672277 446369334 /nfs/dbraw/zinc/36/93/34/446369334.db2.gz SFJBGXJCXXEKLV-JKSUJKDBSA-N 2 0 340.512 1.565 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[NH2+][C@H](C)[C@@H]2C)[C@@H](C)C1 ZINC000417674352 446369449 /nfs/dbraw/zinc/36/94/49/446369449.db2.gz ZBWKMNZDZJQAEK-YVSFHVDLSA-N 2 0 340.512 1.515 20 0 EDADRP C[NH2+]CCNC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000417682401 446370751 /nfs/dbraw/zinc/37/07/51/446370751.db2.gz LFBUPRSINDFJLM-KRWDZBQOSA-N 2 0 332.492 1.978 20 0 EDADRP C[C@H](CCNC(=O)NC[C@H]1C[NH2+]CCO1)[N@H+](C)Cc1ccccc1 ZINC000417814108 446374402 /nfs/dbraw/zinc/37/44/02/446374402.db2.gz MXZCCOATXATQDD-NVXWUHKLSA-N 2 0 334.464 1.185 20 0 EDADRP CN1CC[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000417946418 446394279 /nfs/dbraw/zinc/39/42/79/446394279.db2.gz FFZVNVBNECLLGT-KBPBESRZSA-N 2 0 326.391 1.747 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000417960188 446400811 /nfs/dbraw/zinc/40/08/11/446400811.db2.gz XFAALLZYACYORF-UHFFFAOYSA-N 2 0 337.468 1.339 20 0 EDADRP CC[NH2+]CCNC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000418081305 446434751 /nfs/dbraw/zinc/43/47/51/446434751.db2.gz UZJUNYDPDJKTKP-INIZCTEOSA-N 2 0 336.505 1.513 20 0 EDADRP CS(=O)(=O)N(CC[NH+]1CCC(C[NH3+])CC1)Cc1ccccc1 ZINC000420266507 446439574 /nfs/dbraw/zinc/43/95/74/446439574.db2.gz DBQIXVYBPNXIOG-UHFFFAOYSA-N 2 0 325.478 1.119 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000418135214 446441198 /nfs/dbraw/zinc/44/11/98/446441198.db2.gz HRRZBRGOTPKYHK-ROUUACIJSA-N 2 0 346.475 1.185 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116598 446441332 /nfs/dbraw/zinc/44/13/32/446441332.db2.gz QOQOBYJNRJBYMV-RDJZCZTQSA-N 2 0 334.464 1.487 20 0 EDADRP C[NH2+][C@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccc(C)cc3)CC2)C1 ZINC000420276172 446445413 /nfs/dbraw/zinc/44/54/13/446445413.db2.gz RFQHIBNSNJNEEG-IBGZPJMESA-N 2 0 344.503 1.323 20 0 EDADRP O=C([C@@H]1CCC[N@H+](CCCCC2CCOCC2)C1)N1CC[NH2+]CC1 ZINC000420281919 446448698 /nfs/dbraw/zinc/44/86/98/446448698.db2.gz ATTSEQJROCBCOC-GOSISDBHSA-N 2 0 337.508 1.727 20 0 EDADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420283387 446450094 /nfs/dbraw/zinc/45/00/94/446450094.db2.gz CCJRFSHAFHHMPH-HZPDHXFCSA-N 2 0 346.475 1.417 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)CC[NH2+]CC1 ZINC000423197901 446451265 /nfs/dbraw/zinc/45/12/65/446451265.db2.gz BWFZGEIQISVZDM-OAHLLOKOSA-N 3 0 325.497 1.949 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000374813582 446404475 /nfs/dbraw/zinc/40/44/75/446404475.db2.gz FYOKPAPLURNEGI-MRXNPFEDSA-N 2 0 325.497 1.535 20 0 EDADRP C[C@H](NC(=O)N1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012127 446415537 /nfs/dbraw/zinc/41/55/37/446415537.db2.gz RTZJKABALPEISW-SZMVWBNQSA-N 2 0 330.476 1.887 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000423201032 446451846 /nfs/dbraw/zinc/45/18/46/446451846.db2.gz HARKMKKJDKCAKS-CQSZACIVSA-N 2 0 331.439 1.876 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)ccc1C[NH+](C)C ZINC000411173084 446418436 /nfs/dbraw/zinc/41/84/36/446418436.db2.gz KYIOVXXIUGJBGH-UHFFFAOYSA-N 2 0 346.475 1.548 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418039673 446422235 /nfs/dbraw/zinc/42/22/35/446422235.db2.gz USCXWEAEFFLGDO-MSOLQXFVSA-N 2 0 348.491 1.512 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)CC2CC[NH2+]CC2)[C@H](c2ccccc2)C1 ZINC000370765846 446424635 /nfs/dbraw/zinc/42/46/35/446424635.db2.gz HESUBRILDRRIKU-IBGZPJMESA-N 2 0 344.503 1.481 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C)[C@H]([NH+](C)C)C2)ccc1C[NH+](C)C ZINC000411303350 446480749 /nfs/dbraw/zinc/48/07/49/446480749.db2.gz QSXPCCSYFSLWEN-RHSMWYFYSA-N 2 0 346.475 1.404 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cn2)C1 ZINC000420293789 446457667 /nfs/dbraw/zinc/45/76/67/446457667.db2.gz NNQLWVMPQJXBHN-NSHDSACASA-N 2 0 330.354 1.387 20 0 EDADRP CC[N@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000420317144 446481164 /nfs/dbraw/zinc/48/11/64/446481164.db2.gz NIZUMFVRISNQML-OAHLLOKOSA-N 2 0 332.448 1.905 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](CC(C)C)C[NH+]2CCCC2)CCC[NH2+]1 ZINC000418233892 446468546 /nfs/dbraw/zinc/46/85/46/446468546.db2.gz HNCLPOCODUXOKB-WMZOPIPTSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423262960 446468797 /nfs/dbraw/zinc/46/87/97/446468797.db2.gz ACLIDKTWBQTQEF-NTZNESFSSA-N 2 0 328.254 1.716 20 0 EDADRP OCC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cnn(Cc2ccccc2)c1 ZINC000420306229 446469650 /nfs/dbraw/zinc/46/96/50/446469650.db2.gz AENIXYFMMNFNAW-QGZVFWFLSA-N 2 0 328.460 1.725 20 0 EDADRP O=C(CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)Nc1ccc(F)cc1 ZINC000420312855 446478434 /nfs/dbraw/zinc/47/84/34/446478434.db2.gz XKPAFMORSNNWAH-INIZCTEOSA-N 2 0 348.466 1.772 20 0 EDADRP CCCCNC(=O)C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420315406 446480498 /nfs/dbraw/zinc/48/04/98/446480498.db2.gz LTNLHGTUSKNGCQ-OALUTQOASA-N 2 0 347.503 1.546 20 0 EDADRP C[NH2+]CCCNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418282973 446482546 /nfs/dbraw/zinc/48/25/46/446482546.db2.gz ZGUVKHIZVXNCEJ-KRWDZBQOSA-N 2 0 333.480 1.687 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000418289760 446485631 /nfs/dbraw/zinc/48/56/31/446485631.db2.gz YPMABSBOFHPWQD-MRXNPFEDSA-N 2 0 340.512 1.430 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)CCCO1 ZINC000376428622 446491922 /nfs/dbraw/zinc/49/19/22/446491922.db2.gz PKIHCSMDJHAABQ-IRXDYDNUSA-N 2 0 336.480 1.143 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000420326239 446493017 /nfs/dbraw/zinc/49/30/17/446493017.db2.gz JPWDWMALGYOOEP-JKSUJKDBSA-N 2 0 349.450 1.642 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000418311514 446494426 /nfs/dbraw/zinc/49/44/26/446494426.db2.gz FYMKBRYVHOPWLM-GOSISDBHSA-N 2 0 330.476 1.904 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000376449886 446503637 /nfs/dbraw/zinc/50/36/37/446503637.db2.gz RVXIXSJAAZTIRT-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP COc1cccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420341529 446513773 /nfs/dbraw/zinc/51/37/73/446513773.db2.gz OSLVNKHKKLIEPJ-IRXDYDNUSA-N 2 0 331.460 1.633 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418364767 446515438 /nfs/dbraw/zinc/51/54/38/446515438.db2.gz OGJJJOICXYQCAT-QGZVFWFLSA-N 2 0 339.528 1.173 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418322854 446497795 /nfs/dbraw/zinc/49/77/95/446497795.db2.gz DGWGFPZTPDVJBJ-UHFFFAOYSA-N 2 0 333.480 1.545 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423357568 446498591 /nfs/dbraw/zinc/49/85/91/446498591.db2.gz IKQYGIYIZJDMDY-KFWWJZLASA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+](C)CCCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453563020 446561238 /nfs/dbraw/zinc/56/12/38/446561238.db2.gz LTDLEMVNCCAQJD-MRXNPFEDSA-N 2 0 332.448 1.242 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000418487774 446562050 /nfs/dbraw/zinc/56/20/50/446562050.db2.gz JEHRELHQAONHDG-IRXDYDNUSA-N 2 0 334.464 1.440 20 0 EDADRP [NH3+][C@H](CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000418492104 446563400 /nfs/dbraw/zinc/56/34/00/446563400.db2.gz UBTIPUVGEQDYIG-USXIJHARSA-N 2 0 334.439 1.555 20 0 EDADRP COCC[NH2+]CCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418499434 446566191 /nfs/dbraw/zinc/56/61/91/446566191.db2.gz OCEYGSMJIXDYTJ-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000420344879 446516758 /nfs/dbraw/zinc/51/67/58/446516758.db2.gz YPSWRWXMAGEJCM-SQNIBIBYSA-N 2 0 329.444 1.620 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423402197 446518030 /nfs/dbraw/zinc/51/80/30/446518030.db2.gz WNMUDSLPYRKGCW-CFVMTHIKSA-N 2 0 325.478 1.857 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc2nsnc21 ZINC000420346603 446521149 /nfs/dbraw/zinc/52/11/49/446521149.db2.gz YWAVUKRWPLOSRD-QWHCGFSZSA-N 2 0 345.472 1.951 20 0 EDADRP Cc1cc(NC(=O)CN2CC[C@H](CNc3cc(C)cc[nH+]3)C2)no1 ZINC000376482685 446524463 /nfs/dbraw/zinc/52/44/63/446524463.db2.gz CMWCDUGKJVNBOD-CQSZACIVSA-N 2 0 329.404 2.059 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000418387312 446524694 /nfs/dbraw/zinc/52/46/94/446524694.db2.gz RALCUPMBRTWXHD-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP c1cc(OCCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc2c1OCO2 ZINC000420350570 446527329 /nfs/dbraw/zinc/52/73/29/446527329.db2.gz UANVIBRZTYHUPP-HNNXBMFYSA-N 2 0 333.432 1.164 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418400151 446529115 /nfs/dbraw/zinc/52/91/15/446529115.db2.gz FJOANSXTNSYMGK-WBVHZDCISA-N 2 0 333.480 1.672 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420351288 446530523 /nfs/dbraw/zinc/53/05/23/446530523.db2.gz WKUQEOYZMJQNLH-ZBRFXRBCSA-N 2 0 336.524 1.295 20 0 EDADRP C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C[C@@H](O)C[NH3+] ZINC000420352778 446531353 /nfs/dbraw/zinc/53/13/53/446531353.db2.gz MTAWLDYRLJVHIL-INIZCTEOSA-N 2 0 327.428 1.934 20 0 EDADRP CC(C)c1nc([C@@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000420356620 446537250 /nfs/dbraw/zinc/53/72/50/446537250.db2.gz GPORXACYYKZKIX-CQSZACIVSA-N 2 0 335.452 1.194 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000453118838 446544684 /nfs/dbraw/zinc/54/46/84/446544684.db2.gz JAEPNBVEAOTNNL-APWZRJJASA-N 2 0 326.444 1.634 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000418448154 446545935 /nfs/dbraw/zinc/54/59/35/446545935.db2.gz RHOQMIBBNLZCJP-MRXNPFEDSA-N 2 0 326.485 1.114 20 0 EDADRP COc1cccc(OCCN2CCO[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000370966489 446546233 /nfs/dbraw/zinc/54/62/33/446546233.db2.gz TUOABPTYENMKPA-LJQANCHMSA-N 2 0 349.475 1.022 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000418460679 446552283 /nfs/dbraw/zinc/55/22/83/446552283.db2.gz KOPQQWPKBCRQQV-YOEHRIQHSA-N 2 0 334.464 1.352 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)c2ccc(OC)cc2)CC1 ZINC000411464712 446554657 /nfs/dbraw/zinc/55/46/57/446554657.db2.gz VDTMOBSKORQLKN-SFHVURJKSA-N 2 0 349.475 1.309 20 0 EDADRP CCc1cccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000420397875 446572079 /nfs/dbraw/zinc/57/20/79/446572079.db2.gz GAIANKGXSNJGEB-MOPGFXCFSA-N 2 0 342.487 1.969 20 0 EDADRP CC(C)c1nnc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)n1C ZINC000367677712 446572980 /nfs/dbraw/zinc/57/29/80/446572980.db2.gz GRMRBURZGRCBHF-INIZCTEOSA-N 2 0 334.512 1.398 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418549845 446589258 /nfs/dbraw/zinc/58/92/58/446589258.db2.gz GACKOQPDQRXRTJ-KANFNMMFSA-N 2 0 342.487 1.900 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)N[C@@H]3C[C@H]3C3CC[NH2+]CC3)C2)CC1 ZINC000418656643 446637040 /nfs/dbraw/zinc/63/70/40/446637040.db2.gz FZUZQRVSEFVGLR-OKZBNKHCSA-N 2 0 334.508 1.748 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662637 446638356 /nfs/dbraw/zinc/63/83/56/446638356.db2.gz DREABFDMSJNMBQ-ULQDDVLXSA-N 2 0 339.528 1.077 20 0 EDADRP O=C([C@H]1CSCN1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000423747804 446676206 /nfs/dbraw/zinc/67/62/06/446676206.db2.gz QAAOPQQJCFKIHM-QGZVFWFLSA-N 2 0 333.501 1.816 20 0 EDADRP O=C(N[C@@H]1[C@H]2C[NH2+]C[C@H]21)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418665165 446640020 /nfs/dbraw/zinc/64/00/20/446640020.db2.gz BXZMHGRYCKEAMI-LTFXXXRZSA-N 2 0 340.471 1.368 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418668415 446641768 /nfs/dbraw/zinc/64/17/68/446641768.db2.gz GNUBMUHEIDYLEW-KBAYOESNSA-N 2 0 348.491 1.439 20 0 EDADRP Cc1c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c2ccccc2n1C ZINC000420465266 446642629 /nfs/dbraw/zinc/64/26/29/446642629.db2.gz YJWJOSKFXPXAKS-UHFFFAOYSA-N 2 0 338.477 1.175 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)CC[C@@H]21 ZINC000418684093 446647228 /nfs/dbraw/zinc/64/72/28/446647228.db2.gz KPWMFDZQEJAWBC-HCXYKTFWSA-N 2 0 342.487 1.868 20 0 EDADRP O=S1(=O)CC[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C1 ZINC000434479435 446650344 /nfs/dbraw/zinc/65/03/44/446650344.db2.gz YPWZMVAGUGXEBR-QGZVFWFLSA-N 2 0 344.521 1.246 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418696915 446652203 /nfs/dbraw/zinc/65/22/03/446652203.db2.gz LBYRFMGNPKOKNE-ONIAQPFYSA-N 2 0 330.476 1.886 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418757338 446677263 /nfs/dbraw/zinc/67/72/63/446677263.db2.gz YYLZAYMBLNYSKD-CQSZACIVSA-N 2 0 326.391 1.544 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)C[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000423728814 446663621 /nfs/dbraw/zinc/66/36/21/446663621.db2.gz MANHHNSRMASDPW-KRWDZBQOSA-N 2 0 331.460 1.729 20 0 EDADRP COC[C@@H](C)[NH2+][C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000376703932 446664096 /nfs/dbraw/zinc/66/40/96/446664096.db2.gz QQYIETSYBSPEBB-HZPDHXFCSA-N 2 0 333.476 1.780 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000423756345 446685953 /nfs/dbraw/zinc/68/59/53/446685953.db2.gz JSVXSEXVYIATKK-VQIMIIECSA-N 2 0 328.460 1.552 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000423764686 446693032 /nfs/dbraw/zinc/69/30/32/446693032.db2.gz XTOKNYIRRQDLDK-FQEVSTJZSA-N 2 0 344.503 1.014 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)CC1 ZINC000371231376 446704856 /nfs/dbraw/zinc/70/48/56/446704856.db2.gz VWYQIHAKACBWIS-SFHVURJKSA-N 2 0 336.524 1.347 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC[N@@H+](C2CCC2)C1 ZINC000418805695 446713058 /nfs/dbraw/zinc/71/30/58/446713058.db2.gz XYPMSBMVGCMHDC-LUKYLMHMSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@H](NC(=O)CCOC1C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423882857 446739560 /nfs/dbraw/zinc/73/95/60/446739560.db2.gz XINCXCKDQLKARK-DOTOQJQBSA-N 2 0 331.460 1.392 20 0 EDADRP Cc1cccc(C[NH+]2CCC(NC(=O)C3(C[NH3+])CCOCC3)CC2)c1 ZINC000375346627 446739991 /nfs/dbraw/zinc/73/99/91/446739991.db2.gz BMTIUDXKYHRWMK-UHFFFAOYSA-N 2 0 345.487 1.831 20 0 EDADRP COCC[C@]1(C(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000423846366 446729962 /nfs/dbraw/zinc/72/99/62/446729962.db2.gz PBNHSZYVLOHDIW-VQIMIIECSA-N 2 0 333.476 1.639 20 0 EDADRP CCCCCC[C@@H](O)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375338439 446733107 /nfs/dbraw/zinc/73/31/07/446733107.db2.gz YEEFQUVLABWLIE-LJQANCHMSA-N 2 0 341.540 1.658 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000423752231 446681270 /nfs/dbraw/zinc/68/12/70/446681270.db2.gz VRANPVVDXQZKQS-MAUKXSAKSA-N 2 0 337.414 1.855 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3ccccc3)C2)C1 ZINC000376841601 446747716 /nfs/dbraw/zinc/74/77/16/446747716.db2.gz ZYXPUOMEWGCKJV-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000375390622 446766109 /nfs/dbraw/zinc/76/61/09/446766109.db2.gz HQJCXSUNNKGUIP-IRXDYDNUSA-N 2 0 343.537 1.102 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423927493 446778385 /nfs/dbraw/zinc/77/83/85/446778385.db2.gz GEZPWWJNGARUEI-JKIFEVAISA-N 2 0 333.480 1.402 20 0 EDADRP C[C@@H](O)COC(=O)CC[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375459392 446815234 /nfs/dbraw/zinc/81/52/34/446815234.db2.gz KFYHQTRDPYAWJF-SZVBFZGTSA-N 2 0 334.460 1.973 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368384607 446827060 /nfs/dbraw/zinc/82/70/60/446827060.db2.gz WUXWXVGTFYGQLA-WBVHZDCISA-N 2 0 339.528 1.137 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)N1C[C@@H](C)N(CCOC)[C@@H](C)C1 ZINC000376933338 446805098 /nfs/dbraw/zinc/80/50/98/446805098.db2.gz PTROCLUXLQUTGD-BBWFWOEESA-N 2 0 341.496 1.055 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])C1 ZINC000419018053 446869289 /nfs/dbraw/zinc/86/92/89/446869289.db2.gz BKVBXTYCBOSXLO-AWEZNQCLSA-N 2 0 340.512 1.056 20 0 EDADRP CCN(C(=O)C[NH2+]CCOC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368453921 446871128 /nfs/dbraw/zinc/87/11/28/446871128.db2.gz NJOVKQRLUOZKLQ-AEFFLSMTSA-N 2 0 333.476 1.906 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CCC([NH+](C)C)CC1 ZINC000420896040 446875216 /nfs/dbraw/zinc/87/52/16/446875216.db2.gz UXIUNTXJKIPEAW-FHERZECASA-N 2 0 340.512 1.346 20 0 EDADRP Cc1ccc(CC(=O)N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000371470257 446875691 /nfs/dbraw/zinc/87/56/91/446875691.db2.gz KEHVFKYHHAQZGG-INIZCTEOSA-N 2 0 330.476 1.559 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000419035084 446878390 /nfs/dbraw/zinc/87/83/90/446878390.db2.gz YSMVCKNVMJMDPN-IRXDYDNUSA-N 2 0 346.475 1.141 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419048330 446883698 /nfs/dbraw/zinc/88/36/98/446883698.db2.gz VLGBHTXJECMMOP-HLLBOEOZSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610685 446915265 /nfs/dbraw/zinc/91/52/65/446915265.db2.gz PWJFECPNSILNND-HOTGVXAUSA-N 2 0 339.528 1.137 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371765474 446959705 /nfs/dbraw/zinc/95/97/05/446959705.db2.gz LGGDWJKUJIBBLM-ULQDDVLXSA-N 2 0 338.496 1.080 20 0 EDADRP CCCCNC(=O)[C@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420986090 446963261 /nfs/dbraw/zinc/96/32/61/446963261.db2.gz XSEFUVPCNSIRDE-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC([NH3+])CC1 ZINC000419214471 447014566 /nfs/dbraw/zinc/01/45/66/447014566.db2.gz MPXAPWMUKTUXIF-UHFFFAOYSA-N 2 0 346.475 1.093 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000419222545 447017165 /nfs/dbraw/zinc/01/71/65/447017165.db2.gz XODHNUMGMMRGMB-KRWDZBQOSA-N 2 0 348.491 1.243 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCC[NH2+]C1 ZINC000419173349 446989850 /nfs/dbraw/zinc/98/98/50/446989850.db2.gz SKLXGSDFYSITQT-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000443059136 447002243 /nfs/dbraw/zinc/00/22/43/447002243.db2.gz MCIAXKLYNWTZEH-HNNXBMFYSA-N 2 0 349.475 1.723 20 0 EDADRP [NH3+][C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1c1ccc(F)cc1 ZINC000372228309 447028833 /nfs/dbraw/zinc/02/88/33/447028833.db2.gz RQPBPUBHSIQCSF-MSOLQXFVSA-N 2 0 339.414 1.575 20 0 EDADRP Cc1cccc(C[NH+]2CCC(NC(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000375912584 447143614 /nfs/dbraw/zinc/14/36/14/447143614.db2.gz QAJAVTQHUDQDQQ-SFHVURJKSA-N 2 0 331.460 1.454 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC(=O)N3C[C@H](C)O[C@@H](C)C3)C2)c1 ZINC000377488001 447158821 /nfs/dbraw/zinc/15/88/21/447158821.db2.gz KMGMRNTUKPIIND-ULQDDVLXSA-N 2 0 346.475 1.760 20 0 EDADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC(=O)N3C[C@@H](C)O[C@@H](C)C3)C2)c1 ZINC000377487997 447159549 /nfs/dbraw/zinc/15/95/49/447159549.db2.gz KMGMRNTUKPIIND-IXDOHACOSA-N 2 0 346.475 1.760 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC000375962802 447177704 /nfs/dbraw/zinc/17/77/04/447177704.db2.gz PIKGZWISNBBHOB-ZWKOTPCHSA-N 2 0 325.497 1.282 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000368885486 447179392 /nfs/dbraw/zinc/17/93/92/447179392.db2.gz LIJZUCXYKZRWHB-DLBZAZTESA-N 2 0 332.448 1.733 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@@H](C)C[N@@H+]1CCO ZINC000419452368 447186638 /nfs/dbraw/zinc/18/66/38/447186638.db2.gz OZXWRFCQAZHOLX-OWCLPIDISA-N 2 0 342.528 1.449 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452999 447171672 /nfs/dbraw/zinc/17/16/72/447171672.db2.gz YFVQMNSQDCCYTM-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@@H]4CC[N@H+](C)C[C@@H]43)n2)CC1 ZINC000376041140 447228654 /nfs/dbraw/zinc/22/86/54/447228654.db2.gz FIUXXKIFNNZVOW-HOCLYGCPSA-N 2 0 346.479 1.708 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419511222 447233767 /nfs/dbraw/zinc/23/37/67/447233767.db2.gz HWBVUKDLGVVKFG-ARFHVFGLSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1)[NH+](C)C ZINC000425590568 447239734 /nfs/dbraw/zinc/23/97/34/447239734.db2.gz RTYYJPXVDYQMMB-RYQLBKOJSA-N 2 0 330.476 1.852 20 0 EDADRP CN1CC[NH+](C[C@H]2CCCN(Cc3cnc4cnccn34)C2)CC1 ZINC000377630041 447255700 /nfs/dbraw/zinc/25/57/00/447255700.db2.gz RYPBQUQKGFEAQU-MRXNPFEDSA-N 2 0 328.464 1.189 20 0 EDADRP C[NH+](C)CCC1CCN(C(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000369046771 447285753 /nfs/dbraw/zinc/28/57/53/447285753.db2.gz IMONEYQHDYFPDX-IAGOWNOFSA-N 2 0 338.496 1.223 20 0 EDADRP COc1cc2nc(N3CCC[N@@H+]4CCC[C@@H]4C3)nc(N)c2cc1OC ZINC000377638336 447264003 /nfs/dbraw/zinc/26/40/03/447264003.db2.gz BUPAZOKKOYFQMQ-GFCCVEGCSA-N 2 0 343.431 1.904 20 0 EDADRP CN(C)c1ncccc1CNC(=O)NC[C@H]1CN2CCCC[C@H]2CO1 ZINC000372818576 447300640 /nfs/dbraw/zinc/30/06/40/447300640.db2.gz AQTVVZDJWDDHMO-HOTGVXAUSA-N 2 0 347.463 1.200 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000458719768 447461481 /nfs/dbraw/zinc/46/14/81/447461481.db2.gz BAEOZMBHQYHAGM-KLAILNCOSA-N 2 0 338.496 1.149 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458724733 447462718 /nfs/dbraw/zinc/46/27/18/447462718.db2.gz BOCFCKNJIOZFGP-HZPDHXFCSA-N 2 0 340.512 1.253 20 0 EDADRP COC[C@@]1(C(=O)N(C)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000388488633 447479225 /nfs/dbraw/zinc/47/92/25/447479225.db2.gz LUHDKSUETPILQT-UYAOXDASSA-N 2 0 345.487 1.736 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415508625 447486796 /nfs/dbraw/zinc/48/67/96/447486796.db2.gz VIKSBDGZQZVCKL-KRWDZBQOSA-N 2 0 348.491 1.561 20 0 EDADRP O=C(NCCC[NH2+]C1CCCCC1)NCC[N@@H+]1CCCOCC1 ZINC000458838876 447486956 /nfs/dbraw/zinc/48/69/56/447486956.db2.gz IIFJMBIYTISGCG-UHFFFAOYSA-N 2 0 326.485 1.320 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H](OC)C1CC1 ZINC000458845695 447488305 /nfs/dbraw/zinc/48/83/05/447488305.db2.gz DJFQLHPIPSCDPP-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000495367009 447494938 /nfs/dbraw/zinc/49/49/38/447494938.db2.gz LYACYDIBPJVSAA-RRFJBIMHSA-N 2 0 327.469 1.479 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000390718403 447496636 /nfs/dbraw/zinc/49/66/36/447496636.db2.gz YSERPZXXUMCGHT-MOPGFXCFSA-N 2 0 335.492 1.621 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H](C[NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000392138000 447521688 /nfs/dbraw/zinc/52/16/88/447521688.db2.gz DWKHZDMFDXYMJR-ZWKOTPCHSA-N 2 0 332.492 1.117 20 0 EDADRP CN(C(=O)C[C@@H]1CC[NH2+]C1)C1CC[NH+](CCc2ccccn2)CC1 ZINC000427333465 447583459 /nfs/dbraw/zinc/58/34/59/447583459.db2.gz ZPPBHLWBBYAPDJ-INIZCTEOSA-N 2 0 330.476 1.547 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C[C@H](C)O1 ZINC000427347420 447584685 /nfs/dbraw/zinc/58/46/85/447584685.db2.gz OIRCBRPMOYDZFK-SOLBZPMBSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H]1C[C@H](S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000450966459 447636275 /nfs/dbraw/zinc/63/62/75/447636275.db2.gz GCQSUUCKPAWOIF-JKSUJKDBSA-N 2 0 349.541 1.089 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CCCC3(CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000495915419 447639979 /nfs/dbraw/zinc/63/99/79/447639979.db2.gz XQQOKOIVWRDNRB-LJQANCHMSA-N 2 0 349.475 1.753 20 0 EDADRP C[C@@H]1CN(CCN2CC[NH2+]CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404317329 447599211 /nfs/dbraw/zinc/59/92/11/447599211.db2.gz HTPJPYKCLKICCK-GUDVDZBRSA-N 2 0 330.520 1.875 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567873 447599327 /nfs/dbraw/zinc/59/93/27/447599327.db2.gz FIFGEAJIHYDWHO-BBWFWOEESA-N 2 0 340.512 1.610 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000459164328 447602491 /nfs/dbraw/zinc/60/24/91/447602491.db2.gz RCWAXFBDLIQEGK-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccccc1 ZINC000416826514 447692488 /nfs/dbraw/zinc/69/24/88/447692488.db2.gz BUBKEWCVVMCZCP-GBESFXJTSA-N 2 0 344.503 1.847 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000416889466 447703168 /nfs/dbraw/zinc/70/31/68/447703168.db2.gz KSJJRPMYMXJKHQ-KRWDZBQOSA-N 2 0 334.464 1.316 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@@H]1SC ZINC000459412755 447656219 /nfs/dbraw/zinc/65/62/19/447656219.db2.gz RSCOMWVLIPISPC-BBWFWOEESA-N 2 0 329.554 1.759 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)[C@H]1SC ZINC000459414978 447658129 /nfs/dbraw/zinc/65/81/29/447658129.db2.gz WJNPBXHFAXXPKQ-YYIAUSFCSA-N 2 0 329.554 1.759 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422589331 447658121 /nfs/dbraw/zinc/65/81/21/447658121.db2.gz JAWGPPAFGYOCED-UHFFFAOYSA-N 2 0 328.460 1.582 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000427917035 447670329 /nfs/dbraw/zinc/67/03/29/447670329.db2.gz OAILFOAFOJYHOJ-LSDHHAIUSA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416946498 447720858 /nfs/dbraw/zinc/72/08/58/447720858.db2.gz OKXIARPQORILGJ-OAGGEKHMSA-N 2 0 328.501 1.501 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@H](C)CCC[NH3+])[NH+]1CCOCC1 ZINC000416949402 447722168 /nfs/dbraw/zinc/72/21/68/447722168.db2.gz HDNGJHNKBRDIFQ-GDBMZVCRSA-N 2 0 328.501 1.550 20 0 EDADRP CC[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417004534 447729859 /nfs/dbraw/zinc/72/98/59/447729859.db2.gz CNPDEYIMPJFVMY-WBAXXEDZSA-N 2 0 330.476 1.954 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422727050 447731037 /nfs/dbraw/zinc/73/10/37/447731037.db2.gz BJLWVSGIZFLBBE-WDEREUQCSA-N 2 0 328.254 1.894 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422743814 447735940 /nfs/dbraw/zinc/73/59/40/447735940.db2.gz UVWNYOCHHRJVTF-SNVBAGLBSA-N 2 0 326.238 1.376 20 0 EDADRP CCC[NH+]1CCC([NH2+]CC2(N3CCOCC3)CCOCC2)CC1 ZINC000459684106 447739271 /nfs/dbraw/zinc/73/92/71/447739271.db2.gz DKLKKUQYEPOGLD-UHFFFAOYSA-N 2 0 325.497 1.332 20 0 EDADRP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000422762042 447742468 /nfs/dbraw/zinc/74/24/68/447742468.db2.gz NJKOQRKINDWXHQ-JKSUJKDBSA-N 2 0 339.505 1.865 20 0 EDADRP CC[N@H+](CCNC(=O)NC(C)(C)CN1CC[NH+](CC)CC1)C(C)C ZINC000458198877 447743008 /nfs/dbraw/zinc/74/30/08/447743008.db2.gz HZZINDSFBUBVKA-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP C[C@H]1C[NH+](C[C@@H](O)CN2CC[N@@H+](C3CCC3)C[C@H](C)C2)C[C@H](C)O1 ZINC000429375884 447745793 /nfs/dbraw/zinc/74/57/93/447745793.db2.gz IEKWCLGMTNVOQX-DFEOGRTESA-N 2 0 339.524 1.263 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CN1CCN(c2ccccc2)CC1 ZINC000422776131 447747262 /nfs/dbraw/zinc/74/72/62/447747262.db2.gz DCAAIKLNXHGNAD-QZTJIDSGSA-N 2 0 334.508 1.541 20 0 EDADRP COCCCN(C)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422790787 447751425 /nfs/dbraw/zinc/75/14/25/447751425.db2.gz XYOFULPXMUCNER-IEBWSBKVSA-N 2 0 333.476 1.800 20 0 EDADRP CC(C)C[NH+]1CCC([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496318976 447755680 /nfs/dbraw/zinc/75/56/80/447755680.db2.gz CGTVMMLNTUHDPF-SFHVURJKSA-N 2 0 343.512 1.972 20 0 EDADRP O=C(NCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccco1 ZINC000422813289 447756955 /nfs/dbraw/zinc/75/69/55/447756955.db2.gz ZHFOYNROOXAEGO-DNVCBOLYSA-N 2 0 341.411 1.855 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCc2cn3c(n2)CCCC3)CC[NH2+]CC1 ZINC000422830129 447762850 /nfs/dbraw/zinc/76/28/50/447762850.db2.gz IBEALYVKNSNXIC-HNNXBMFYSA-N 2 0 348.491 1.673 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1CCOCC1 ZINC000471875779 447815824 /nfs/dbraw/zinc/81/58/24/447815824.db2.gz XLCVJUMKPRHVFB-PMACEKPBSA-N 2 0 331.504 1.991 20 0 EDADRP [NH3+][C@H]1CCCCC[C@@H]1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000422843180 447766950 /nfs/dbraw/zinc/76/69/50/447766950.db2.gz HHNKKVKIEUZCHC-OALUTQOASA-N 3 0 331.508 1.843 20 0 EDADRP CC[C@@H](NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422843330 447767070 /nfs/dbraw/zinc/76/70/70/447767070.db2.gz HWRKYXAWPLFOFN-MOPGFXCFSA-N 3 0 331.508 1.714 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000422928975 447774195 /nfs/dbraw/zinc/77/41/95/447774195.db2.gz NSNNJWDGQTZNEQ-INIZCTEOSA-N 2 0 339.505 1.949 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422932023 447775215 /nfs/dbraw/zinc/77/52/15/447775215.db2.gz YLVRNWQRBSLLGE-CYBMUJFWSA-N 2 0 328.840 1.997 20 0 EDADRP O=C(NCCC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422960672 447781913 /nfs/dbraw/zinc/78/19/13/447781913.db2.gz XFKYALFEDQIHRN-KZNAEPCWSA-N 2 0 349.450 1.692 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](O)CCc2ccccc2)CC[NH2+]CC1 ZINC000423027864 447794017 /nfs/dbraw/zinc/79/40/17/447794017.db2.gz FFGJZYTVQYTBKF-FUHWJXTLSA-N 2 0 348.487 1.891 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423031876 447794858 /nfs/dbraw/zinc/79/48/58/447794858.db2.gz LMWIFTYUAPHJOQ-NSISKUIASA-N 2 0 347.503 1.500 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCO[C@H]2CCCCO2)CC1 ZINC000451982770 447795737 /nfs/dbraw/zinc/79/57/37/447795737.db2.gz KAKUDTWSNLCVGV-KRWDZBQOSA-N 2 0 327.513 1.925 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000451983291 447796107 /nfs/dbraw/zinc/79/61/07/447796107.db2.gz KLAVIBGWNHPMGW-UHFFFAOYSA-N 2 0 336.524 1.297 20 0 EDADRP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@@H]1CC[NH2+]C1 ZINC000423100396 447805152 /nfs/dbraw/zinc/80/51/52/447805152.db2.gz MPXJIVYZCGPBAP-WDEREUQCSA-N 2 0 349.859 1.345 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)NCCOCC[NH+](C)C)CC1 ZINC000471656511 447808387 /nfs/dbraw/zinc/80/83/87/447808387.db2.gz CKNZHSXFWMRHCY-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)c2ccccc2C[NH+](C)C)CCCO1 ZINC000487645273 447835654 /nfs/dbraw/zinc/83/56/54/447835654.db2.gz WCACJUZSOXYFEZ-MRXNPFEDSA-N 2 0 333.476 1.979 20 0 EDADRP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[C@@H]1C ZINC000487995074 447840031 /nfs/dbraw/zinc/84/00/31/447840031.db2.gz ZKCGQZZVBCNOEV-MAUKXSAKSA-N 2 0 337.508 1.866 20 0 EDADRP CC1CC[NH+](CCC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496700454 447851349 /nfs/dbraw/zinc/85/13/49/447851349.db2.gz QVWDFJWSGNNZBX-GOSISDBHSA-N 2 0 343.512 1.974 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000523051178 447869502 /nfs/dbraw/zinc/86/95/02/447869502.db2.gz IEQUKINEDREQFL-SFHVURJKSA-N 2 0 330.476 1.752 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134036 447880629 /nfs/dbraw/zinc/88/06/29/447880629.db2.gz RLDLEZVFKLOUIB-RHSMWYFYSA-N 2 0 329.485 1.584 20 0 EDADRP Cc1cccn2cc(CC(=O)NCCN3CCOC(C)(C)C3)nc12 ZINC000524271433 447921411 /nfs/dbraw/zinc/92/14/11/447921411.db2.gz KKMMZDDHSCSZJJ-UHFFFAOYSA-N 2 0 330.432 1.412 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(F)cc1F ZINC000530880581 447976736 /nfs/dbraw/zinc/97/67/36/447976736.db2.gz LEWREFNIRKMADN-UHFFFAOYSA-N 2 0 329.391 1.295 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000576128848 447981602 /nfs/dbraw/zinc/98/16/02/447981602.db2.gz LCBKEGJJQDKRMI-WBVHZDCISA-N 2 0 337.439 1.237 20 0 EDADRP COc1cccc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000525449556 447999311 /nfs/dbraw/zinc/99/93/11/447999311.db2.gz MOQARBBIEDJTSB-HNNXBMFYSA-N 2 0 336.480 1.891 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc2ccccc2c1O ZINC000531118916 448022924 /nfs/dbraw/zinc/02/29/24/448022924.db2.gz OKDXGVYJFZSNSW-UHFFFAOYSA-N 2 0 330.432 1.094 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000497278568 448032387 /nfs/dbraw/zinc/03/23/87/448032387.db2.gz MCNHOPZBYMGLBY-LBPRGKRZSA-N 2 0 325.457 1.109 20 0 EDADRP CCC[C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)CC[N@@H+]1CCOC ZINC000570635337 448039091 /nfs/dbraw/zinc/03/90/91/448039091.db2.gz CQHJFMMPKLMHJJ-AQFXKWCLSA-N 2 0 341.496 1.232 20 0 EDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289957 448043906 /nfs/dbraw/zinc/04/39/06/448043906.db2.gz QSOACUMONCCAJG-HLLBOEOZSA-N 2 0 335.448 1.597 20 0 EDADRP CC(C)[C@@H](C[NH2+][C@H](C)C1CCS(=O)(=O)CC1)N1CC[NH+](C)CC1 ZINC000525980698 448069664 /nfs/dbraw/zinc/06/96/64/448069664.db2.gz CZXMJQTXAIIXDN-NVXWUHKLSA-N 2 0 345.553 1.061 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(-c3ccco3)cc2F)CC1 ZINC000576512461 448070593 /nfs/dbraw/zinc/07/05/93/448070593.db2.gz VVXBCYNHVANBDN-KRWDZBQOSA-N 2 0 347.434 1.784 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000570836390 448072930 /nfs/dbraw/zinc/07/29/30/448072930.db2.gz GUOXWIYQLIUBAI-YJBOKZPZSA-N 2 0 347.459 1.459 20 0 EDADRP CCC[C@H]1CN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC[N@@H+]1CCOC ZINC000571051039 448100560 /nfs/dbraw/zinc/10/05/60/448100560.db2.gz WMNNXLQZNJMSCP-CABCVRRESA-N 2 0 349.479 1.060 20 0 EDADRP O=C(C[N@@H+]1CC[C@@H](c2ccncc2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000571057084 448103659 /nfs/dbraw/zinc/10/36/59/448103659.db2.gz JBNZLOFZMLLUGH-MRXNPFEDSA-N 2 0 328.460 1.614 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1 ZINC000531798465 448146738 /nfs/dbraw/zinc/14/67/38/448146738.db2.gz WJBIHKAMTQXMRE-QGZVFWFLSA-N 3 0 341.544 1.099 20 0 EDADRP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000514824829 448208890 /nfs/dbraw/zinc/20/88/90/448208890.db2.gz BYHZDCXPNCOGRP-SPYBWZPUSA-N 2 0 335.467 1.647 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000577256983 448248082 /nfs/dbraw/zinc/24/80/82/448248082.db2.gz DTRMUNFOFZSUTB-FXAWDEMLSA-N 2 0 347.503 1.860 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000515058232 448251096 /nfs/dbraw/zinc/25/10/96/448251096.db2.gz OWHWTNYPZREKGW-GOSISDBHSA-N 2 0 330.476 1.986 20 0 EDADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCOCC1 ZINC000532499932 448266944 /nfs/dbraw/zinc/26/69/44/448266944.db2.gz HKPZTWIJTMADLC-GOSISDBHSA-N 2 0 327.513 1.171 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1c[nH]c2ncccc12 ZINC000532792280 448314349 /nfs/dbraw/zinc/31/43/49/448314349.db2.gz LXHRJIOTLAEWSC-UHFFFAOYSA-N 2 0 346.479 1.240 20 0 EDADRP [NH3+]C[C@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000515382878 448304567 /nfs/dbraw/zinc/30/45/67/448304567.db2.gz DKNUPIHKKYTWLU-ROUUACIJSA-N 2 0 330.476 1.927 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N(C)C3CC([NH3+])C3)cc2)CC1 ZINC000572410228 448372307 /nfs/dbraw/zinc/37/23/07/448372307.db2.gz SZNMYWXPNAXKKV-UHFFFAOYSA-N 2 0 330.476 1.779 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000527796985 448363358 /nfs/dbraw/zinc/36/33/58/448363358.db2.gz BWFXSCPUBCTQPN-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP CN1CCN(C(=O)NCc2ccc(C(C)(F)F)cc2)[C@@H](C[NH3+])C1 ZINC000515620828 448335264 /nfs/dbraw/zinc/33/52/64/448335264.db2.gz KKKSIICOSHBFTA-AWEZNQCLSA-N 2 0 326.391 1.583 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000516185701 448393634 /nfs/dbraw/zinc/39/36/34/448393634.db2.gz KECKAGHDHGKVJD-KRWDZBQOSA-N 2 0 333.476 1.534 20 0 EDADRP CNC(=O)CCC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000516192315 448395614 /nfs/dbraw/zinc/39/56/14/448395614.db2.gz YQNIYHRHMKILQV-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000583080968 448419680 /nfs/dbraw/zinc/41/96/80/448419680.db2.gz FALPHYZNFQLWBG-RYQLBKOJSA-N 2 0 330.476 1.089 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000572640900 448429965 /nfs/dbraw/zinc/42/99/65/448429965.db2.gz JXDILRBZKNVBAL-ZWKOTPCHSA-N 2 0 345.487 1.893 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000572649090 448431973 /nfs/dbraw/zinc/43/19/73/448431973.db2.gz ZXOPJFJOCALMAU-IYBDPMFKSA-N 2 0 346.475 1.013 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H]2CNc2cc[nH+]cc2C(N)=O)cc1 ZINC000528140103 448443479 /nfs/dbraw/zinc/44/34/79/448443479.db2.gz PDWRLFVDAKHEJY-AWEZNQCLSA-N 2 0 326.400 1.297 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)C1 ZINC000566459772 448480272 /nfs/dbraw/zinc/48/02/72/448480272.db2.gz BKBXLOBJPLIPPY-SJLPKXTDSA-N 2 0 337.533 1.758 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)CC1 ZINC000516864786 448485716 /nfs/dbraw/zinc/48/57/16/448485716.db2.gz OQBZABPUHDWGJD-SFHVURJKSA-N 2 0 332.492 1.610 20 0 EDADRP Cc1ccc2[nH]c([C@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)nc2c1 ZINC000578237759 448495609 /nfs/dbraw/zinc/49/56/09/448495609.db2.gz IKKIOSJYDNMEBQ-INIZCTEOSA-N 2 0 327.476 1.956 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)CC1 ZINC000584399697 448510562 /nfs/dbraw/zinc/51/05/62/448510562.db2.gz KBJWBALQKHTPAN-ZWKOTPCHSA-N 2 0 330.476 1.855 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000572999022 448519667 /nfs/dbraw/zinc/51/96/67/448519667.db2.gz ANPGMVVZXQLGJW-XWIAVFTESA-N 2 0 328.460 1.737 20 0 EDADRP CCC[N@H+](C)CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000517370075 448576889 /nfs/dbraw/zinc/57/68/89/448576889.db2.gz GNRJXDNPMNEZKO-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP O=C(C[NH2+][C@H]1CCc2c1cccc2O)NC1CC[NH+](C2CC2)CC1 ZINC000578604726 448589015 /nfs/dbraw/zinc/58/90/15/448589015.db2.gz NNIGNHVIIAMFBV-KRWDZBQOSA-N 2 0 329.444 1.712 20 0 EDADRP CC(C)COC[C@@H](O)C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000567042780 448602761 /nfs/dbraw/zinc/60/27/61/448602761.db2.gz VZKWYNMMFBPBNH-SFHVURJKSA-N 2 0 327.513 1.168 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C[NH2+]CC2CC2)c2ccccc2)CC1 ZINC000584776416 448626909 /nfs/dbraw/zinc/62/69/09/448626909.db2.gz BBOYRVOQUKQZFR-SFHVURJKSA-N 2 0 330.476 1.091 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000578756764 448627578 /nfs/dbraw/zinc/62/75/78/448627578.db2.gz NBGRZWMICCSWII-DSLXNQLJSA-N 2 0 349.544 1.946 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000529110122 448764039 /nfs/dbraw/zinc/76/40/39/448764039.db2.gz PHWRMMALCOECAW-HNNXBMFYSA-N 2 0 334.468 1.583 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000573906044 448741636 /nfs/dbraw/zinc/74/16/36/448741636.db2.gz RTWWDZVWCJCXDI-INIZCTEOSA-N 2 0 338.496 1.130 20 0 EDADRP CN1CCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)[C@@H](C[NH3+])C1 ZINC000579332210 448768116 /nfs/dbraw/zinc/76/81/16/448768116.db2.gz ZABINIQJEKQGEA-HNNXBMFYSA-N 2 0 338.883 1.902 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000574170702 448809405 /nfs/dbraw/zinc/80/94/05/448809405.db2.gz RMPGYNZPAWRCLX-ZBFHGGJFSA-N 2 0 325.522 1.662 20 0 EDADRP CN1CCN(C(=O)Nc2ccccc2C(=O)N2CCCC2)[C@@H](C[NH3+])C1 ZINC000519529262 448778018 /nfs/dbraw/zinc/77/80/18/448778018.db2.gz QEGJEMBYICETLT-AWEZNQCLSA-N 2 0 345.447 1.029 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000592391390 448820711 /nfs/dbraw/zinc/82/07/11/448820711.db2.gz OYEOISFYROQJKU-LMMKCTJWSA-N 2 0 341.540 1.509 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529337743 448831391 /nfs/dbraw/zinc/83/13/91/448831391.db2.gz PHOAXRORNATEIW-CVEARBPZSA-N 2 0 326.485 1.160 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000529343750 448833339 /nfs/dbraw/zinc/83/33/39/448833339.db2.gz WHTGPQJVURWNTB-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC1CC[NH2+]CC1 ZINC000519756242 448835803 /nfs/dbraw/zinc/83/58/03/448835803.db2.gz XTLGBLCFSCAOPU-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000546732775 448846787 /nfs/dbraw/zinc/84/67/87/448846787.db2.gz PWXPJPJKPKGNNI-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[NH2+]CC3)c2)C1 ZINC000579687241 448851206 /nfs/dbraw/zinc/85/12/06/448851206.db2.gz KDEXQMYTYSHHCR-OALUTQOASA-N 3 0 344.503 1.616 20 0 EDADRP COC(=O)[C@@H]1C[NH2+]CCCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000592553562 448896621 /nfs/dbraw/zinc/89/66/21/448896621.db2.gz WFMXSIQQNOETLQ-HOTGVXAUSA-N 2 0 339.480 1.428 20 0 EDADRP CCC[NH+]1CCC([NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000588244458 448887237 /nfs/dbraw/zinc/88/72/37/448887237.db2.gz IXZUBOFHOHJVND-UHFFFAOYSA-N 2 0 336.480 1.705 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000569226468 448984430 /nfs/dbraw/zinc/98/44/30/448984430.db2.gz UNLXEVUHYMDSDG-UHFFFAOYSA-N 2 0 332.492 1.204 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000521430056 448985139 /nfs/dbraw/zinc/98/51/39/448985139.db2.gz HAZHXZKSKVXTLR-YJBOKZPZSA-N 2 0 330.476 1.232 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000521985233 449035424 /nfs/dbraw/zinc/03/54/24/449035424.db2.gz QCHGHCBGVHFWDZ-OAOYMFHYSA-N 2 0 342.487 1.936 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958513 449081843 /nfs/dbraw/zinc/08/18/43/449081843.db2.gz YCZNCBJSVIKSGH-HNNXBMFYSA-N 2 0 335.496 1.961 20 0 EDADRP COC(=O)CN1CCC[C@H](CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000575121439 449040727 /nfs/dbraw/zinc/04/07/27/449040727.db2.gz PWIFYEFBCCBIGA-GDBMZVCRSA-N 2 0 333.432 1.078 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000582260953 449051051 /nfs/dbraw/zinc/05/10/51/449051051.db2.gz SZRPYWVWOKCVOU-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC000589841224 449067634 /nfs/dbraw/zinc/06/76/34/449067634.db2.gz JIHXAECCYXHFPA-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)CC[NH2+]CC1 ZINC000593323575 449226515 /nfs/dbraw/zinc/22/65/15/449226515.db2.gz QGYVDGLGAUXQJA-ZDUSSCGKSA-N 3 0 337.439 1.695 20 0 EDADRP COC(=O)CCN1CCC[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)C1=O ZINC000595895726 449239040 /nfs/dbraw/zinc/23/90/40/449239040.db2.gz TYIBKJMZECPTLJ-HZPDHXFCSA-N 2 0 337.464 1.005 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000595900913 449242045 /nfs/dbraw/zinc/24/20/45/449242045.db2.gz OWQLYLLGFHROGL-ZFWWWQNUSA-N 2 0 338.496 1.711 20 0 EDADRP C[NH+](C)CCCNC(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000590845185 449317312 /nfs/dbraw/zinc/31/73/12/449317312.db2.gz DDXZEEPJGNTFEU-GOSISDBHSA-N 2 0 332.492 1.802 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)CC[NH2+]CC1 ZINC000602018439 449278000 /nfs/dbraw/zinc/27/80/00/449278000.db2.gz BUJRPBXVQICVEN-WMZOPIPTSA-N 3 0 347.503 1.858 20 0 EDADRP CCOC(=O)c1cnc(N[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000596123553 449374101 /nfs/dbraw/zinc/37/41/01/449374101.db2.gz ORJVMZGDIVQNAR-LBPRGKRZSA-N 2 0 338.477 1.900 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H](C)[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)[NH+](C)C ZINC000613952142 449395194 /nfs/dbraw/zinc/39/51/94/449395194.db2.gz BABNSAREEVVVRD-GEEKYZPCSA-N 2 0 342.528 1.168 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)cc12 ZINC000602277285 449485239 /nfs/dbraw/zinc/48/52/39/449485239.db2.gz JJCSUOSPUBTITJ-INIZCTEOSA-N 2 0 342.491 1.535 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000600715419 449512960 /nfs/dbraw/zinc/51/29/60/449512960.db2.gz YBGLKDJFHXBRQB-ZMSDIMECSA-N 2 0 349.479 1.804 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@@H](C)C(=O)NC(=O)Nc1ccccc1F ZINC000600727753 449520563 /nfs/dbraw/zinc/52/05/63/449520563.db2.gz MCJVDCXHTNWHOU-LBPRGKRZSA-N 2 0 340.399 1.030 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)Oc1ccccc1 ZINC000607245052 449590037 /nfs/dbraw/zinc/59/00/37/449590037.db2.gz BEMGQVCFJFHMDQ-INIZCTEOSA-N 2 0 336.480 1.589 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1C ZINC000602456210 449603422 /nfs/dbraw/zinc/60/34/22/449603422.db2.gz WIYVCBICIHLPGY-UHFFFAOYSA-N 2 0 349.475 1.746 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000607406287 449609859 /nfs/dbraw/zinc/60/98/59/449609859.db2.gz QJOQRLCTEXEAPA-IBGZPJMESA-N 2 0 346.475 1.017 20 0 EDADRP C[C@@H]1CCCC(CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000602468060 449613437 /nfs/dbraw/zinc/61/34/37/449613437.db2.gz JCFCJEUIEJXVBY-KKAKJJSRSA-N 2 0 343.537 1.114 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000617505909 449651755 /nfs/dbraw/zinc/65/17/55/449651755.db2.gz VBENKROEGAKQPP-IRXDYDNUSA-N 2 0 326.529 1.639 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)c21 ZINC000602537059 449659789 /nfs/dbraw/zinc/65/97/89/449659789.db2.gz MXSVJJDRGRIVCO-HLLBOEOZSA-N 2 0 339.443 1.205 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]Cc2cc(C(=O)OC)c(C)[nH]2)CC1 ZINC000602512633 449641490 /nfs/dbraw/zinc/64/14/90/449641490.db2.gz WUNZUONEQYGWJK-UHFFFAOYSA-N 2 0 336.480 1.617 20 0 EDADRP COC(=O)CC1CCC([NH2+]C2CCN(CC[NH+](C)C)CC2)CC1 ZINC000599019901 449700491 /nfs/dbraw/zinc/70/04/91/449700491.db2.gz OQRYZCXYIUOVTA-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000617699711 449744822 /nfs/dbraw/zinc/74/48/22/449744822.db2.gz QSYTZTPLKIKZEP-OALUTQOASA-N 2 0 345.487 1.744 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000608629095 449890778 /nfs/dbraw/zinc/89/07/78/449890778.db2.gz FMTRHYARAILQAO-HOTGVXAUSA-N 2 0 339.528 1.137 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000615089862 449949664 /nfs/dbraw/zinc/94/96/64/449949664.db2.gz OATIMCCCOKMYJA-CABCVRRESA-N 2 0 325.497 1.865 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC[C@H](C)C[NH+]2CCN(C)CC2)C1 ZINC000608709075 449917087 /nfs/dbraw/zinc/91/70/87/449917087.db2.gz KKUVOFSVFIEFMJ-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP C[C@]1(NC(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000612868410 449919040 /nfs/dbraw/zinc/91/90/40/449919040.db2.gz UFIYXVYKQLXSDR-IBGZPJMESA-N 2 0 345.491 1.250 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612957772 449956466 /nfs/dbraw/zinc/95/64/66/449956466.db2.gz CGKHPLKEZDFRAM-INIZCTEOSA-N 3 0 339.528 1.044 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3C[C@H]4CCCC[C@H]4NC3=O)C2)CC1 ZINC000595338141 450051206 /nfs/dbraw/zinc/05/12/06/450051206.db2.gz MHLJJRGYJFFAIY-NCXUSEDFSA-N 2 0 348.535 1.534 20 0 EDADRP COC(=O)CCN1CC[C@@H]([NH+]2CCC(CCC[NH+](C)C)CC2)C1=O ZINC000595403137 450116516 /nfs/dbraw/zinc/11/65/16/450116516.db2.gz CIGKZORZDVDFCI-MRXNPFEDSA-N 2 0 339.480 1.204 20 0 EDADRP COC(=O)C[C@@]1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCOC1 ZINC000613334417 450137252 /nfs/dbraw/zinc/13/72/52/450137252.db2.gz HAGIVVKDYGHQSC-SFHVURJKSA-N 2 0 336.432 1.439 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000620485244 450502179 /nfs/dbraw/zinc/50/21/79/450502179.db2.gz RGHZBWDNXFIUSV-RTBURBONSA-N 2 0 345.487 1.737 20 0 EDADRP CC(C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H](C)[C@H]1C ZINC000620747139 450538189 /nfs/dbraw/zinc/53/81/89/450538189.db2.gz NAOUEJHDFJZCQA-IYBDPMFKSA-N 2 0 340.512 1.115 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623573371 450545490 /nfs/dbraw/zinc/54/54/90/450545490.db2.gz GJSFTIGGDPUMPX-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000620967402 450566822 /nfs/dbraw/zinc/56/68/22/450566822.db2.gz SHBBSVUKBXGHFV-YYIAUSFCSA-N 2 0 325.497 1.817 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000626089204 450573370 /nfs/dbraw/zinc/57/33/70/450573370.db2.gz GCSAMDZJFSXQRS-MRXNPFEDSA-N 2 0 337.508 1.963 20 0 EDADRP c1cc(CN2CCO[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)ccn1 ZINC000623782002 450582718 /nfs/dbraw/zinc/58/27/18/450582718.db2.gz FQQCWASVNUVEAD-GBESFXJTSA-N 2 0 330.476 1.499 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000633042066 450640277 /nfs/dbraw/zinc/64/02/77/450640277.db2.gz QLTMBPHEEBSICJ-HOCLYGCPSA-N 2 0 344.459 1.212 20 0 EDADRP C[C@H]1C[C@H](N(C)c2nc(N)[nH+]c(N)n2)CC[N@@H+]1Cc1ccccc1 ZINC000623984327 450660779 /nfs/dbraw/zinc/66/07/79/450660779.db2.gz DTKUNSPSVNWQSM-GXTWGEPZSA-N 2 0 327.436 1.186 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000627380648 450691402 /nfs/dbraw/zinc/69/14/02/450691402.db2.gz VMJZVYYUTPCWTL-AWEZNQCLSA-N 2 0 334.464 1.039 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000627397923 450703903 /nfs/dbraw/zinc/70/39/03/450703903.db2.gz ZBFFXXGEPGINPU-UHFFFAOYSA-N 2 0 338.496 1.099 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113471 450709747 /nfs/dbraw/zinc/70/97/47/450709747.db2.gz GQBGEANGMROGQL-KFWWJZLASA-N 2 0 329.452 1.023 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122510 450715794 /nfs/dbraw/zinc/71/57/94/450715794.db2.gz TWWSFVLTLILJAV-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)Cc1cnc2ccc(Br)cn12 ZINC000629654966 450772149 /nfs/dbraw/zinc/77/21/49/450772149.db2.gz UWTYGADZOBAFPQ-UHFFFAOYSA-N 2 0 341.253 1.765 20 0 EDADRP C[C@@H]([NH2+]C1CN(c2ccncn2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000631746096 450747958 /nfs/dbraw/zinc/74/79/58/450747958.db2.gz BWKRVBKQDYRBAP-OAHLLOKOSA-N 2 0 341.459 1.956 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)C[N@H+](C)CCc2ccccc2)CC1 ZINC000635279832 450810824 /nfs/dbraw/zinc/81/08/24/450810824.db2.gz RCFJFTFYTATLLZ-UHFFFAOYSA-N 2 0 346.519 1.305 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000621668273 450824542 /nfs/dbraw/zinc/82/45/42/450824542.db2.gz ZUTSRMJQIQNDTL-INIZCTEOSA-N 2 0 337.508 1.773 20 0 EDADRP CN(C(=O)CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000621669290 450824835 /nfs/dbraw/zinc/82/48/35/450824835.db2.gz IXSOXJODJDCCGJ-WMZOPIPTSA-N 2 0 336.524 1.393 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000631888832 450850406 /nfs/dbraw/zinc/85/04/06/450850406.db2.gz BTSLRLUIFGLJMS-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@H]3CCC[N@H+](C)C3)ccc2[nH]c1=O ZINC000635508185 451002924 /nfs/dbraw/zinc/00/29/24/451002924.db2.gz SQPDJOJMDCOYIW-AWEZNQCLSA-N 2 0 345.447 1.128 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000626922414 451005933 /nfs/dbraw/zinc/00/59/33/451005933.db2.gz WFKXWWMBEAAUMO-ZBFHGGJFSA-N 2 0 332.448 1.493 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000626925410 451008654 /nfs/dbraw/zinc/00/86/54/451008654.db2.gz KOMCDWUAIILUEK-UHFFFAOYSA-N 2 0 348.491 1.837 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)C1CCCCC1 ZINC000626934039 451016951 /nfs/dbraw/zinc/01/69/51/451016951.db2.gz ALTZHNUJMJASDN-OAHLLOKOSA-N 2 0 326.485 1.304 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000626934642 451017662 /nfs/dbraw/zinc/01/76/62/451017662.db2.gz KOQKBMXTGQYANY-QGZVFWFLSA-N 2 0 334.464 1.359 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N2CC[NH2+]C[C@H]2C(C)C)CC1 ZINC000626936567 451018043 /nfs/dbraw/zinc/01/80/43/451018043.db2.gz JIKKBRSBUIZXER-KRWDZBQOSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626937692 451019244 /nfs/dbraw/zinc/01/92/44/451019244.db2.gz WZFMCVQSOJRUKP-HNNXBMFYSA-N 2 0 326.485 1.306 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939932 451021512 /nfs/dbraw/zinc/02/15/12/451021512.db2.gz PNPXNATWBZUSTJ-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632085383 451024062 /nfs/dbraw/zinc/02/40/62/451024062.db2.gz NREYBBWSBYYDEI-BBWFWOEESA-N 2 0 345.553 1.758 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626947075 451025406 /nfs/dbraw/zinc/02/54/06/451025406.db2.gz KQJAALDYUSRNSI-HUUCEWRRSA-N 2 0 340.512 1.550 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000635557099 451054010 /nfs/dbraw/zinc/05/40/10/451054010.db2.gz YZHUGONGPZQOII-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC1([NH3+])CCOCC1 ZINC000627012906 451077574 /nfs/dbraw/zinc/07/75/74/451077574.db2.gz JOKNINHUBIBDAD-DOTOQJQBSA-N 2 0 346.475 1.314 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627027361 451088166 /nfs/dbraw/zinc/08/81/66/451088166.db2.gz NZABMWRDCBRRMK-MRXNPFEDSA-N 2 0 326.485 1.319 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000627050825 451101577 /nfs/dbraw/zinc/10/15/77/451101577.db2.gz UXMCWDMMHGXLDA-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000633956591 451121797 /nfs/dbraw/zinc/12/17/97/451121797.db2.gz IDLJYDNFUOFDEM-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000633953873 451121811 /nfs/dbraw/zinc/12/18/11/451121811.db2.gz HWLTVUQISLSNTC-QGZVFWFLSA-N 2 0 334.508 1.243 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000627109569 451127415 /nfs/dbraw/zinc/12/74/15/451127415.db2.gz XOUKQFRMPJKVIL-KBPBESRZSA-N 2 0 344.381 1.814 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCCN(Cc2cscn2)CC1 ZINC000627167780 451161283 /nfs/dbraw/zinc/16/12/83/451161283.db2.gz MOWQUKFJBPOUJO-LSDHHAIUSA-N 2 0 337.493 1.501 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NCC1CC[NH+](C2CC2)CC1 ZINC000632283605 451170011 /nfs/dbraw/zinc/17/00/11/451170011.db2.gz YOONXTNKRATMGK-UHFFFAOYSA-N 2 0 329.510 1.266 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C[NH2+]1 ZINC000627193763 451179372 /nfs/dbraw/zinc/17/93/72/451179372.db2.gz PJRHDFMPZJFQAO-HOTGVXAUSA-N 3 0 327.517 1.042 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C[NH2+]1 ZINC000627210152 451188846 /nfs/dbraw/zinc/18/88/46/451188846.db2.gz MTJHZMAKNAIBMY-HOCLYGCPSA-N 2 0 338.496 1.317 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635721298 451198635 /nfs/dbraw/zinc/19/86/35/451198635.db2.gz JPECRYWZDDAQFS-TVFCKZIOSA-N 2 0 335.492 1.713 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000638085322 451249648 /nfs/dbraw/zinc/24/96/48/451249648.db2.gz XUCOKAUJJRIILV-JTOWHCCKSA-N 2 0 325.497 1.626 20 0 EDADRP [NH3+]C[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCCOC1 ZINC000638102689 451268496 /nfs/dbraw/zinc/26/84/96/451268496.db2.gz VWAVMGKFFJZCPW-PKOBYXMFSA-N 2 0 337.508 1.857 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)CC[N@@H+]1Cc1ccccc1 ZINC000638103480 451270809 /nfs/dbraw/zinc/27/08/09/451270809.db2.gz OTBSNQPJGLJTHA-YVWKXTFCSA-N 2 0 345.487 1.911 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638117713 451287219 /nfs/dbraw/zinc/28/72/19/451287219.db2.gz WVZKXIPIVMQERG-RYQLBKOJSA-N 2 0 333.476 1.910 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638110615 451277949 /nfs/dbraw/zinc/27/79/49/451277949.db2.gz GVNWXRAXTGBNIL-IEBWSBKVSA-N 2 0 331.460 1.345 20 0 EDADRP CCO[C@@H]1C[C@@H](Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C12CCOCC2 ZINC000630683095 451337737 /nfs/dbraw/zinc/33/77/37/451337737.db2.gz YUPCXKIKKBVJLI-IAGOWNOFSA-N 2 0 346.475 1.877 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000638123077 451293457 /nfs/dbraw/zinc/29/34/57/451293457.db2.gz NMOCWNJFNIMNRH-WMZOPIPTSA-N 2 0 331.460 1.509 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000638125552 451295298 /nfs/dbraw/zinc/29/52/98/451295298.db2.gz FFBWOWRWJHHZLJ-WMZOPIPTSA-N 2 0 333.476 1.898 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@]3(C[NH3+])CCCOC3)c2)CC1 ZINC000638136928 451310858 /nfs/dbraw/zinc/31/08/58/451310858.db2.gz CKJOQSBMKIBLGM-LJQANCHMSA-N 2 0 346.475 1.128 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@@H]([NH+]3CCN(C)CC3)CC2)CC[N@@H+]1C ZINC000632463357 451313410 /nfs/dbraw/zinc/31/34/10/451313410.db2.gz KVCQVZLDHGZLJI-XWTMOSNGSA-N 2 0 336.524 1.392 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638154009 451325900 /nfs/dbraw/zinc/32/59/00/451325900.db2.gz AFZVZARVAUXWSO-FUHWJXTLSA-N 2 0 344.503 1.566 20 0 EDADRP C[C@H](C[NH3+])NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccncc1 ZINC000638170199 451334750 /nfs/dbraw/zinc/33/47/50/451334750.db2.gz HXMRBBFHQGGZFZ-AYOQOUSVSA-N 2 0 338.455 1.761 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000630748838 451382199 /nfs/dbraw/zinc/38/21/99/451382199.db2.gz XNUPVHPENDLYBR-UHFFFAOYSA-N 2 0 335.496 1.687 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630751595 451383162 /nfs/dbraw/zinc/38/31/62/451383162.db2.gz SOSHZEPMBBUFFI-HZPDHXFCSA-N 2 0 335.496 1.543 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638256714 451383143 /nfs/dbraw/zinc/38/31/43/451383143.db2.gz QVJWTNYUDKZIMS-BVYOLEPJSA-N 2 0 331.460 1.377 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000638262906 451385807 /nfs/dbraw/zinc/38/58/07/451385807.db2.gz QTMHOTVHIHGCRS-DSLXNQLJSA-N 2 0 345.487 1.767 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNS(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632545180 451387566 /nfs/dbraw/zinc/38/75/66/451387566.db2.gz XUENOMDURCIPKC-HNNXBMFYSA-N 2 0 331.526 1.512 20 0 EDADRP CO[C@H](C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCOCC1 ZINC000638184627 451344366 /nfs/dbraw/zinc/34/43/66/451344366.db2.gz ZGEMSGFGURBNSP-BSDSXHPESA-N 2 0 326.481 1.612 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)NC[C@H]3CCCC[N@H+](C)C3)n2)CC1 ZINC000628750548 451396247 /nfs/dbraw/zinc/39/62/47/451396247.db2.gz STVOLWQZBAJTGW-MRXNPFEDSA-N 2 0 345.491 1.295 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638287750 451404068 /nfs/dbraw/zinc/40/40/68/451404068.db2.gz XENWNJVWEJHSMC-BBRMVZONSA-N 2 0 325.416 1.186 20 0 EDADRP CC(C)(C)[C@H](C[NH3+])NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638334815 451439750 /nfs/dbraw/zinc/43/97/50/451439750.db2.gz FEDCNKYPGAOKEN-KRWDZBQOSA-N 2 0 346.519 1.860 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000632578770 451420582 /nfs/dbraw/zinc/42/05/82/451420582.db2.gz DHRNRWCUVANIRB-QGZVFWFLSA-N 2 0 343.537 1.514 20 0 EDADRP O[C@@]1(C[NH2+]CCCC[NH+]2CCOCC2)CCN(Cc2ccccc2)C1 ZINC000634642722 451436503 /nfs/dbraw/zinc/43/65/03/451436503.db2.gz PKTRYBTUHSFCRO-HXUWFJFHSA-N 2 0 347.503 1.325 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC(C)(C)C[NH+](C)C)ccc2[nH]c1=O ZINC000636012247 451437134 /nfs/dbraw/zinc/43/71/34/451437134.db2.gz HVBAJJLFDPHPQW-UHFFFAOYSA-N 2 0 347.463 1.374 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000638370422 451468652 /nfs/dbraw/zinc/46/86/52/451468652.db2.gz JTXCTSFIBFYALJ-OAHLLOKOSA-N 2 0 326.448 1.344 20 0 EDADRP O[C@]1(CNC[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+](Cc2ccccc2)C1 ZINC000634700874 451474651 /nfs/dbraw/zinc/47/46/51/451474651.db2.gz GUAIZHDAEDQBPE-ICSRJNTNSA-N 2 0 329.488 1.697 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]CC(C)(C)N2CCOCC2)c1 ZINC000638380794 451474923 /nfs/dbraw/zinc/47/49/23/451474923.db2.gz FAFVQRJYTTXVJM-UHFFFAOYSA-N 2 0 335.492 1.827 20 0 EDADRP Cn1ncnc1C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000638381529 451475266 /nfs/dbraw/zinc/47/52/66/451475266.db2.gz MILDXDGKNDZBPG-UHFFFAOYSA-N 2 0 342.491 1.503 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000634708182 451486498 /nfs/dbraw/zinc/48/64/98/451486498.db2.gz RBIRZJQCJQSYAF-SFHVURJKSA-N 2 0 342.524 1.627 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12 ZINC000638400726 451489673 /nfs/dbraw/zinc/48/96/73/451489673.db2.gz SHSAQGUBQCENFI-GBESFXJTSA-N 2 0 344.503 1.579 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1F ZINC000638413211 451498683 /nfs/dbraw/zinc/49/86/83/451498683.db2.gz XZBSHAPARSJUFA-XIRDDKMYSA-N 2 0 349.450 1.880 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)cn1 ZINC000638412535 451498689 /nfs/dbraw/zinc/49/86/89/451498689.db2.gz ZICTZNPZXIFHRV-IUODEOHRSA-N 2 0 347.369 1.089 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C2=CC[C@H]([NH3+])C2)cc1 ZINC000638413306 451499193 /nfs/dbraw/zinc/49/91/93/451499193.db2.gz SEBLUTMPSFYHNJ-SZMVWBNQSA-N 2 0 329.444 1.695 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000638555795 451574670 /nfs/dbraw/zinc/57/46/70/451574670.db2.gz IIRIJHRQGMIHEU-RDBSUJKOSA-N 2 0 329.366 1.981 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@@H]1C(F)(F)F ZINC000638555504 451574985 /nfs/dbraw/zinc/57/49/85/451574985.db2.gz HIESJWMJESDZLC-AAEUAGOBSA-N 2 0 326.322 1.934 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000638592809 451594588 /nfs/dbraw/zinc/59/45/88/451594588.db2.gz QQVYNVSXNKECEJ-SFHVURJKSA-N 2 0 333.476 1.736 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC[NH+]2CC[C@H](O)C2)C[N@@H+]1Cc1ccccc1 ZINC000636920226 451608070 /nfs/dbraw/zinc/60/80/70/451608070.db2.gz UTPJRNPXHUKMNP-NJAFHUGGSA-N 2 0 346.475 1.015 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638563660 451578813 /nfs/dbraw/zinc/57/88/13/451578813.db2.gz APRUECSPWGERJO-UHFFFAOYSA-N 3 0 340.556 1.085 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000636987430 451663849 /nfs/dbraw/zinc/66/38/49/451663849.db2.gz ALOWLCZENDMSCC-CQSZACIVSA-N 2 0 333.436 1.064 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000638850811 451710294 /nfs/dbraw/zinc/71/02/94/451710294.db2.gz JOXBYENLZWZMSG-LBKNJMOBSA-N 2 0 343.471 1.107 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)c3cc([C@@H]4CC[NH2+]C4)[nH]n3)cn2)CC1 ZINC000638977563 451744683 /nfs/dbraw/zinc/74/46/83/451744683.db2.gz MJBFHBDFMYADRC-GFCCVEGCSA-N 2 0 343.435 1.202 20 0 EDADRP CN(CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccccc1 ZINC000638986679 451747465 /nfs/dbraw/zinc/74/74/65/451747465.db2.gz XNSOQALHYKRKHB-UHFFFAOYSA-N 2 0 325.416 1.566 20 0 EDADRP CC(=O)N[C@@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)C1CCCC1 ZINC000638987985 451747817 /nfs/dbraw/zinc/74/78/17/451747817.db2.gz QNYZVWQGBRPWOW-QGZVFWFLSA-N 2 0 345.447 1.125 20 0 EDADRP CC(=O)c1ccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cc1 ZINC000638987830 451748236 /nfs/dbraw/zinc/74/82/36/451748236.db2.gz LAGLLFQJRSEKTK-UHFFFAOYSA-N 2 0 338.411 1.875 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC3(C[NH3+])CCCCC3)cc2)CC1 ZINC000638996619 451749991 /nfs/dbraw/zinc/74/99/91/451749991.db2.gz MDVUBMBJFGXUBE-UHFFFAOYSA-N 2 0 344.503 1.825 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)COC3CCC([NH3+])CC3)C2)cc1 ZINC000639004676 451751414 /nfs/dbraw/zinc/75/14/14/451751414.db2.gz IVRDTDJRVGIXOR-JLAWEPINSA-N 2 0 345.487 1.972 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[C@@H]1CCCOC1 ZINC000637262735 451773615 /nfs/dbraw/zinc/77/36/15/451773615.db2.gz BWIMSCJXHKTCMQ-HOTGVXAUSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000639313538 451821475 /nfs/dbraw/zinc/82/14/75/451821475.db2.gz XHPFQHNCQOQQGU-OAGGEKHMSA-N 2 0 327.513 1.309 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]CCC(=O)NC1CCCCC1 ZINC000644526261 451841700 /nfs/dbraw/zinc/84/17/00/451841700.db2.gz RGOGUDBXXNWLAR-LJQANCHMSA-N 2 0 347.503 1.908 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1cccnc1C ZINC000637428162 451849751 /nfs/dbraw/zinc/84/97/51/451849751.db2.gz AKYDVLCCIRSSAC-SFHVURJKSA-N 2 0 347.507 1.948 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562418 451863016 /nfs/dbraw/zinc/86/30/16/451863016.db2.gz QAZGWGAUJUXOPN-QGZVFWFLSA-N 2 0 335.492 1.350 20 0 EDADRP C[NH+](C)[C@@]1(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)CCSC1 ZINC000644583365 451877328 /nfs/dbraw/zinc/87/73/28/451877328.db2.gz VPOIIVMNUKAVAM-ZWKOTPCHSA-N 2 0 337.533 1.506 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000642440140 451879551 /nfs/dbraw/zinc/87/95/51/451879551.db2.gz XCSJBHOFWIWIOK-PBHICJAKSA-N 2 0 346.475 1.313 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2[nH][nH]c(=O)c2c1 ZINC000646858228 451894280 /nfs/dbraw/zinc/89/42/80/451894280.db2.gz RWYMPFMQKMZNSZ-UHFFFAOYSA-N 2 0 347.463 1.614 20 0 EDADRP Cc1cc(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000639526172 451923996 /nfs/dbraw/zinc/92/39/96/451923996.db2.gz ANFXPHMAPKDBIX-UHFFFAOYSA-N 2 0 332.492 1.897 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc2c(c1)OCO2 ZINC000644663805 451926339 /nfs/dbraw/zinc/92/63/39/451926339.db2.gz RLCJYIZLWQPXLQ-MRXNPFEDSA-N 2 0 348.443 1.762 20 0 EDADRP Fc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)cc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000649253096 451933460 /nfs/dbraw/zinc/93/34/60/451933460.db2.gz IJUZLWDLZOBATK-RDGPPVDQSA-N 2 0 344.478 1.128 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000642733556 451942512 /nfs/dbraw/zinc/94/25/12/451942512.db2.gz VOMJIVBSDHIOPZ-WBVHZDCISA-N 2 0 346.475 1.041 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000649271468 451942799 /nfs/dbraw/zinc/94/27/99/451942799.db2.gz IJPXUQGFYYHPCQ-UHFFFAOYSA-N 2 0 339.443 1.224 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)COC1(C)C[NH2+]C1 ZINC000649280646 451952103 /nfs/dbraw/zinc/95/21/03/451952103.db2.gz BAMMLFBFPIJABE-UHFFFAOYSA-N 2 0 339.505 1.797 20 0 EDADRP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1C[NH2+]CCOC1 ZINC000649280871 451952729 /nfs/dbraw/zinc/95/27/29/451952729.db2.gz QLYFUNALJFGNON-HNNXBMFYSA-N 2 0 339.505 1.655 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1C[NH2+]CCOC1 ZINC000649281535 451954087 /nfs/dbraw/zinc/95/40/87/451954087.db2.gz QVECUVABNLGKQZ-SFHVURJKSA-N 2 0 331.460 1.525 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)[C@@]2(N)CC[N@H+](C)C2)cc1 ZINC000649284907 451957923 /nfs/dbraw/zinc/95/79/23/451957923.db2.gz LDTSTUHANLMUGU-GOSISDBHSA-N 2 0 334.464 1.379 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)[C@@H]2C1 ZINC000644732091 451958996 /nfs/dbraw/zinc/95/89/96/451958996.db2.gz FAAMQHIXJWXASJ-XUVXKRRUSA-N 2 0 329.488 1.913 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@@H](CC(C)C)[NH+](C)C)cnn1C ZINC000649285082 451958992 /nfs/dbraw/zinc/95/89/92/451958992.db2.gz BFRYDKQREIPXQP-OIISXLGYSA-N 2 0 335.496 1.124 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H]1CN(C)Cc2ccccc21 ZINC000642788927 451964684 /nfs/dbraw/zinc/96/46/84/451964684.db2.gz JFYPYSQHHDXRBM-SJORKVTESA-N 2 0 346.475 1.121 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)CN2CCCC[C@@H]([NH3+])C2=O)c1 ZINC000649295365 451971716 /nfs/dbraw/zinc/97/17/16/451971716.db2.gz DKLSKQXKXGOIBA-QGZVFWFLSA-N 2 0 346.475 1.807 20 0 EDADRP COCCC1(C(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000649307222 451984164 /nfs/dbraw/zinc/98/41/64/451984164.db2.gz ASTIZHKYSRRMOY-YESZJQIVSA-N 2 0 339.524 1.875 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000649327001 452006494 /nfs/dbraw/zinc/00/64/94/452006494.db2.gz NIUSDAJFGLERTC-HZPDHXFCSA-N 2 0 331.464 1.047 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000649327240 452007211 /nfs/dbraw/zinc/00/72/11/452007211.db2.gz SKWHWUPEHAXLDG-IMJJTQAJSA-N 2 0 331.464 1.576 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637668258 452009636 /nfs/dbraw/zinc/00/96/36/452009636.db2.gz YSNJIRXQEZMIDK-YOEHRIQHSA-N 2 0 348.495 1.954 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@]2(COC)CCC[NH2+]2)C1 ZINC000649331656 452013568 /nfs/dbraw/zinc/01/35/68/452013568.db2.gz KTIAGIZCQNIDJT-QAPCUYQASA-N 2 0 325.497 1.772 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH2+]CCC2(F)F)[C@@H](C)C1 ZINC000649334408 452014776 /nfs/dbraw/zinc/01/47/76/452014776.db2.gz DKZZZQKLWKZOKG-KKUMJFAQSA-N 2 0 347.450 1.484 20 0 EDADRP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682103 452020528 /nfs/dbraw/zinc/02/05/28/452020528.db2.gz KSCGGKVSOMKHRW-ZWKOTPCHSA-N 2 0 335.448 1.150 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[C@H]1c1cccs1 ZINC000649340984 452021516 /nfs/dbraw/zinc/02/15/16/452021516.db2.gz FHXHIPYPGWFRTK-YCPHGPKFSA-N 2 0 337.489 1.483 20 0 EDADRP COC[C@@]1(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CCC[NH2+]1 ZINC000649346868 452030007 /nfs/dbraw/zinc/03/00/07/452030007.db2.gz SINAVZHZMNJZHK-GOSISDBHSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])c2)CC1 ZINC000649351777 452035897 /nfs/dbraw/zinc/03/58/97/452035897.db2.gz RGYCJDBXMSWMIN-AEFFLSMTSA-N 2 0 330.476 1.748 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000649360459 452039877 /nfs/dbraw/zinc/03/98/77/452039877.db2.gz YOCLJRHNHHMMET-IBGZPJMESA-N 2 0 331.460 1.843 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000649374308 452049338 /nfs/dbraw/zinc/04/93/38/452049338.db2.gz JNEFYLXQOVIKFG-DOTOQJQBSA-N 2 0 345.491 1.180 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000647087924 452053001 /nfs/dbraw/zinc/05/30/01/452053001.db2.gz XCOIAFCFQHIENU-MYZZLAAOSA-N 2 0 337.508 1.757 20 0 EDADRP COc1cc(OC)c(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc1F ZINC000651765038 452063141 /nfs/dbraw/zinc/06/31/41/452063141.db2.gz AQEKCFRCPIZNHM-CQSZACIVSA-N 2 0 339.455 1.959 20 0 EDADRP C[C@@H](CO)C1CC[NH+](C[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000639733982 452078285 /nfs/dbraw/zinc/07/82/85/452078285.db2.gz WQIKJFGSWQFEMI-FXAWDEMLSA-N 2 0 332.488 1.964 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418266 452079612 /nfs/dbraw/zinc/07/96/12/452079612.db2.gz RFNBRNUZZUCHIE-IKGGRYGDSA-N 2 0 345.491 1.627 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417739 452080319 /nfs/dbraw/zinc/08/03/19/452080319.db2.gz CORKFRYQAQJYKT-JKSUJKDBSA-N 2 0 333.480 1.687 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799980 452088468 /nfs/dbraw/zinc/08/84/68/452088468.db2.gz UNXQBDXXXFCBKU-PKOBYXMFSA-N 2 0 333.476 1.941 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000639758584 452096263 /nfs/dbraw/zinc/09/62/63/452096263.db2.gz VLHPQKGBVPEJLK-UHFFFAOYSA-N 2 0 334.464 1.269 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000637833152 452106914 /nfs/dbraw/zinc/10/69/14/452106914.db2.gz ONOBPYQBWQUXLP-CQSZACIVSA-N 2 0 344.381 1.069 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000643294304 452119975 /nfs/dbraw/zinc/11/99/75/452119975.db2.gz HGSPQXQYUPDZAE-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000643299877 452123247 /nfs/dbraw/zinc/12/32/47/452123247.db2.gz GPMMSJDWWLJXMN-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@H](C)[NH+](C)C)CC2)cc1 ZINC000653834630 452142851 /nfs/dbraw/zinc/14/28/51/452142851.db2.gz YONSKARTMOWGPI-AWEZNQCLSA-N 2 0 346.475 1.676 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COCC[NH3+])c1ccccc1Cl ZINC000645178681 452195453 /nfs/dbraw/zinc/19/54/53/452195453.db2.gz SBHXLAKVDZOJCW-OAHLLOKOSA-N 2 0 327.856 1.814 20 0 EDADRP Nc1cnccc1C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000641703595 452210154 /nfs/dbraw/zinc/21/01/54/452210154.db2.gz XKAJUGBBDRXREO-UHFFFAOYSA-N 2 0 325.460 1.571 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455479 452232540 /nfs/dbraw/zinc/23/25/40/452232540.db2.gz JYGUAGDYDPFDPV-GUDVDZBRSA-N 2 0 338.540 1.293 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643464043 452234576 /nfs/dbraw/zinc/23/45/76/452234576.db2.gz YTWFRBLHGYQJHU-NCXUSEDFSA-N 2 0 348.487 1.790 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2)CC1 ZINC000655449935 452245699 /nfs/dbraw/zinc/24/56/99/452245699.db2.gz WGFACRQTDNBTPE-QUCCMNQESA-N 2 0 342.487 1.762 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657438132 452245727 /nfs/dbraw/zinc/24/57/27/452245727.db2.gz IUQREBXOQNBOJO-GFCCVEGCSA-N 2 0 333.402 1.555 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000655450886 452245896 /nfs/dbraw/zinc/24/58/96/452245896.db2.gz FCRRUTYFNFQNNF-UHFFFAOYSA-N 2 0 338.452 1.488 20 0 EDADRP CCN(C(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663543673 452247675 /nfs/dbraw/zinc/24/76/75/452247675.db2.gz OOKBZAPXVGXRKE-XHSDSOJGSA-N 2 0 340.512 1.610 20 0 EDADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Nc1ccccc1F ZINC000647522820 452257450 /nfs/dbraw/zinc/25/74/50/452257450.db2.gz GGHPVTIAOGXZMR-HNNXBMFYSA-N 2 0 337.439 1.981 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000655468501 452262826 /nfs/dbraw/zinc/26/28/26/452262826.db2.gz SRXCQZCIGVJXHB-IEBWSBKVSA-N 2 0 328.460 1.552 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659432648 452280008 /nfs/dbraw/zinc/28/00/08/452280008.db2.gz HKLSQNBCKGLDPV-UHFFFAOYSA-N 2 0 332.448 1.260 20 0 EDADRP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])N1C[C@@H](C)O[C@@H](C)C1 ZINC000655488252 452284246 /nfs/dbraw/zinc/28/42/46/452284246.db2.gz XGVJXLVTGOOZLI-RIVLEWJDSA-N 2 0 337.508 1.754 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000643532007 452296457 /nfs/dbraw/zinc/29/64/57/452296457.db2.gz SRIZOTXFMZJSDZ-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP COCCN1CC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000657537553 452321299 /nfs/dbraw/zinc/32/12/99/452321299.db2.gz OSLAQURHXBLQLB-QGZVFWFLSA-N 2 0 325.497 1.188 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000641876673 452338527 /nfs/dbraw/zinc/33/85/27/452338527.db2.gz RHNPRQDLIFFJQE-GOSISDBHSA-N 3 0 349.523 1.384 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000638059666 452350840 /nfs/dbraw/zinc/35/08/40/452350840.db2.gz VESZUSBIHBXMEO-ROUUACIJSA-N 2 0 349.475 1.038 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCC[NH2+]C)cc1 ZINC000659506029 452370683 /nfs/dbraw/zinc/37/06/83/452370683.db2.gz WNNQWFNXQDIIBU-IRXDYDNUSA-N 2 0 334.464 1.440 20 0 EDADRP [NH3+]C[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCCOC1 ZINC000638067624 452371388 /nfs/dbraw/zinc/37/13/88/452371388.db2.gz SGDXTMIIDQEEKX-IBGZPJMESA-N 2 0 347.459 1.337 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638069491 452372597 /nfs/dbraw/zinc/37/25/97/452372597.db2.gz KRGJWBNWGVTUME-AEFFLSMTSA-N 2 0 332.492 1.436 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[NH2+]C2CC2)cc1 ZINC000659509758 452373790 /nfs/dbraw/zinc/37/37/90/452373790.db2.gz IHWHUWVPNPEXKD-ROUUACIJSA-N 2 0 346.475 1.582 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000659513906 452378065 /nfs/dbraw/zinc/37/80/65/452378065.db2.gz MCMHCZUWNHYDDJ-AEFFLSMTSA-N 2 0 346.475 1.052 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000638070712 452378178 /nfs/dbraw/zinc/37/81/78/452378178.db2.gz VGHUBEJSZPCGET-SFHVURJKSA-N 2 0 333.476 1.946 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000659513419 452378377 /nfs/dbraw/zinc/37/83/77/452378377.db2.gz YQYMABQAMBPWEQ-MRXNPFEDSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000638072059 452380147 /nfs/dbraw/zinc/38/01/47/452380147.db2.gz PBYXKVWWMUMKSB-RYQLBKOJSA-N 2 0 333.476 1.719 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000659523386 452386262 /nfs/dbraw/zinc/38/62/62/452386262.db2.gz KNPAUJIYRIMDRV-CGTJXYLNSA-N 2 0 348.491 1.957 20 0 EDADRP [NH3+]C[C@]1(C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)CCCOC1 ZINC000638075387 452387361 /nfs/dbraw/zinc/38/73/61/452387361.db2.gz JGDVOBPDVHZADU-LJQANCHMSA-N 2 0 337.508 1.857 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659528212 452391144 /nfs/dbraw/zinc/39/11/44/452391144.db2.gz BOPFONCEVXXOHW-INIZCTEOSA-N 2 0 345.491 1.378 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000638080892 452398336 /nfs/dbraw/zinc/39/83/36/452398336.db2.gz YHTKHCIMDJSTQU-IEBWSBKVSA-N 2 0 333.476 1.910 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659556797 452412978 /nfs/dbraw/zinc/41/29/78/452412978.db2.gz VMQXNALNCSJQQM-KBPBESRZSA-N 2 0 326.485 1.302 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000645473514 452443009 /nfs/dbraw/zinc/44/30/09/452443009.db2.gz RGWJNLINFLYVTC-IBGZPJMESA-N 2 0 345.487 1.798 20 0 EDADRP C[C@@H]1C[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H](C)C1O ZINC000661628878 452449813 /nfs/dbraw/zinc/44/98/13/452449813.db2.gz VDFONONULZNHAU-INMHGKMJSA-N 2 0 333.476 1.354 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000652287864 452471092 /nfs/dbraw/zinc/47/10/92/452471092.db2.gz KRUPTBDITMDPOW-UHFFFAOYSA-N 2 0 334.464 1.004 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC23CC(C2)C[NH2+]3)cc1 ZINC000659613481 452471565 /nfs/dbraw/zinc/47/15/65/452471565.db2.gz HUMPQAVHTLOEKP-MNQCNDSGSA-N 2 0 332.448 1.349 20 0 EDADRP C[NH+]1CC=C(CNc2cnc(NCC3=CC[N@H+](C)CC3)cn2)CC1 ZINC000663777325 452507995 /nfs/dbraw/zinc/50/79/95/452507995.db2.gz XORMJMKWBWOKRT-UHFFFAOYSA-N 2 0 328.464 1.824 20 0 EDADRP CN(C)S(=O)(=O)c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647788480 452523047 /nfs/dbraw/zinc/52/30/47/452523047.db2.gz KDSGOWGICWYCQK-CWRNSKLLSA-N 2 0 337.489 1.415 20 0 EDADRP C[C@H](C1CC1)N(C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652347411 452524016 /nfs/dbraw/zinc/52/40/16/452524016.db2.gz AHTXTUBZFCVOGZ-XZKMEQPCSA-N 2 0 349.519 1.994 20 0 EDADRP CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349031 452524766 /nfs/dbraw/zinc/52/47/66/452524766.db2.gz ZISVIYNSKPCQPQ-BZSNNMDCSA-N 2 0 331.460 1.765 20 0 EDADRP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H]1CC[NH3+] ZINC000652354119 452532735 /nfs/dbraw/zinc/53/27/35/452532735.db2.gz NLPCTGCFBLPUHP-BBRMVZONSA-N 2 0 332.448 1.563 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000647833928 452567671 /nfs/dbraw/zinc/56/76/71/452567671.db2.gz UNEWGEMQWJCSIA-IEBWSBKVSA-N 2 0 344.503 1.750 20 0 EDADRP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)CCN1CC[NH2+]CC1 ZINC000647835540 452572715 /nfs/dbraw/zinc/57/27/15/452572715.db2.gz AMZGHVAEEMMJCC-UHFFFAOYSA-N 2 0 349.866 1.770 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+])C1 ZINC000659698374 452581924 /nfs/dbraw/zinc/58/19/24/452581924.db2.gz KDPGWISQVWITOA-GASCZTMLSA-N 2 0 340.512 1.056 20 0 EDADRP CO[C@](C)(CO)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000655807640 452589916 /nfs/dbraw/zinc/58/99/16/452589916.db2.gz MCBSBNDMDISMCZ-IBGZPJMESA-N 2 0 335.492 1.704 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(CO)OC)CC1 ZINC000655806471 452590820 /nfs/dbraw/zinc/59/08/20/452590820.db2.gz AHVFQSBESKHLCX-IBGZPJMESA-N 2 0 335.492 1.706 20 0 EDADRP CC[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC[C@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000661861284 452638322 /nfs/dbraw/zinc/63/83/22/452638322.db2.gz QGOZYOODKKQEAD-KURKYZTESA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000652522606 452724158 /nfs/dbraw/zinc/72/41/58/452724158.db2.gz ONCPHPFSADBYIU-HXUWFJFHSA-N 2 0 347.503 1.718 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000658106613 452728081 /nfs/dbraw/zinc/72/80/81/452728081.db2.gz JKJOCSBWRGMGJN-FUHWJXTLSA-N 2 0 326.529 1.101 20 0 EDADRP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138427 452745964 /nfs/dbraw/zinc/74/59/64/452745964.db2.gz NEBMKPLALFZGTB-ZWKOTPCHSA-N 2 0 329.448 1.413 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000655971174 452752451 /nfs/dbraw/zinc/75/24/51/452752451.db2.gz VKPBQKZXVUTLBX-IBEHDNSVSA-N 2 0 326.485 1.253 20 0 EDADRP COc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000654661869 452776696 /nfs/dbraw/zinc/77/66/96/452776696.db2.gz TXYSZQZPGSUSDR-UHFFFAOYSA-N 2 0 344.415 1.625 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H](C)[NH+](C)C)[C@H](C)C1 ZINC000664141247 452818440 /nfs/dbraw/zinc/81/84/40/452818440.db2.gz LIVBUOQPSXJPTO-ZACQAIPSSA-N 2 0 342.528 1.763 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccccc1C[NH2+]C ZINC000652674900 452823587 /nfs/dbraw/zinc/82/35/87/452823587.db2.gz IRLCWABNCOVKBR-QGZVFWFLSA-N 2 0 346.475 1.013 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N1CCC(CC[NH3+])CC1)C(C)(C)C ZINC000652676732 452825327 /nfs/dbraw/zinc/82/53/27/452825327.db2.gz FSUWXRFNDWHMDR-HNNXBMFYSA-N 2 0 340.512 1.056 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119216 452835932 /nfs/dbraw/zinc/83/59/32/452835932.db2.gz ZNXAQZSYOSOHLB-KGLIPLIRSA-N 2 0 334.489 1.613 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC12CCOCC2 ZINC000648147522 452859385 /nfs/dbraw/zinc/85/93/85/452859385.db2.gz LPSLQINVIQLXAQ-ZFWWWQNUSA-N 2 0 337.851 1.554 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[N@@H+]2C2CC2)c1 ZINC000648161579 452871802 /nfs/dbraw/zinc/87/18/02/452871802.db2.gz NBAMYTHYGXMXMP-ZWJWXYIHSA-N 2 0 341.455 1.555 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000645889326 452881433 /nfs/dbraw/zinc/88/14/33/452881433.db2.gz CXFVQYRDSKKZPG-AWEZNQCLSA-N 2 0 338.375 1.036 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000645959229 452938649 /nfs/dbraw/zinc/93/86/49/452938649.db2.gz VIJFQMGYVXIYQD-MSOLQXFVSA-N 2 0 333.476 1.156 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000645959230 452939383 /nfs/dbraw/zinc/93/93/83/452939383.db2.gz VIJFQMGYVXIYQD-QZTJIDSGSA-N 2 0 333.476 1.156 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[C@H](C)[NH+](C)C)c1 ZINC000658424233 452949191 /nfs/dbraw/zinc/94/91/91/452949191.db2.gz ZUUHAPBIMWLQFA-HNNXBMFYSA-N 2 0 348.491 1.923 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1)c1ccsc1 ZINC000662254222 452982942 /nfs/dbraw/zinc/98/29/42/452982942.db2.gz OPVNCLHZYVZAIQ-OAHLLOKOSA-N 2 0 335.473 1.463 20 0 EDADRP O=C(Nc1ccc(F)cc1)N[C@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662255651 452986217 /nfs/dbraw/zinc/98/62/17/452986217.db2.gz ZRRQASAMFQRNEM-HOTGVXAUSA-N 2 0 348.422 1.543 20 0 EDADRP O[C@@H]1C[C@H]2CN(Cc3ccc(OCC[NH+]4CCCC4)cc3)CC[N@@H+]2C1 ZINC000656272947 453002388 /nfs/dbraw/zinc/00/23/88/453002388.db2.gz LBSIRPYCLODNIR-RBUKOAKNSA-N 2 0 345.487 1.412 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280625 453004628 /nfs/dbraw/zinc/00/46/28/453004628.db2.gz GGXZAEUBZSOIRH-YESZJQIVSA-N 2 0 336.480 1.022 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000662281532 453006537 /nfs/dbraw/zinc/00/65/37/453006537.db2.gz NCAXOVAXGYRIEZ-LSDHHAIUSA-N 2 0 336.484 1.189 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@@H]1C ZINC000666627444 453020534 /nfs/dbraw/zinc/02/05/34/453020534.db2.gz RSWQFGLOFKHJNB-UONOGXRCSA-N 2 0 332.448 1.463 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000646087778 453096891 /nfs/dbraw/zinc/09/68/91/453096891.db2.gz SMLSVVYINNDOPW-MRXNPFEDSA-N 2 0 346.475 1.207 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662388066 453099063 /nfs/dbraw/zinc/09/90/63/453099063.db2.gz YRUASVNQQLEWIW-GASCZTMLSA-N 2 0 348.495 1.300 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC1CC[NH+](C3CC3)CC1)CCOCC2 ZINC000646100957 453101633 /nfs/dbraw/zinc/10/16/33/453101633.db2.gz SLNISVMSCPDUQF-OAHLLOKOSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662420953 453129681 /nfs/dbraw/zinc/12/96/81/453129681.db2.gz FCLBYIQGDGTBRX-WFASDCNBSA-N 2 0 328.420 1.865 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2cn(CC[NH3+])nn2)[NH+]2CCCC2)cc1 ZINC000662426303 453132648 /nfs/dbraw/zinc/13/26/48/453132648.db2.gz WWPXHMHHFXZSRM-KRWDZBQOSA-N 2 0 342.447 1.112 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000666770414 453133936 /nfs/dbraw/zinc/13/39/36/453133936.db2.gz ZHMJOQZNLGLGFR-QGZVFWFLSA-N 2 0 344.459 1.561 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662425442 453134199 /nfs/dbraw/zinc/13/41/99/453134199.db2.gz BRDICQACGYTLBO-BBRMVZONSA-N 2 0 342.447 1.542 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662450135 453158342 /nfs/dbraw/zinc/15/83/42/453158342.db2.gz HJYDHWAHVAPCAV-ZIAGYGMSSA-N 2 0 334.468 1.195 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)c1 ZINC000666831452 453175830 /nfs/dbraw/zinc/17/58/30/453175830.db2.gz XGXPUCTVTJHOJH-RHSMWYFYSA-N 2 0 332.448 1.843 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000646214763 453227497 /nfs/dbraw/zinc/22/74/97/453227497.db2.gz IZNKMLBCUKLETK-HUUCEWRRSA-N 2 0 336.480 1.894 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000648749797 453231544 /nfs/dbraw/zinc/23/15/44/453231544.db2.gz VCKJYTOCYBOPIR-CRAIPNDOSA-N 2 0 330.476 1.713 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@@H](N4CC[NH2+]CC4)C3)cc21 ZINC000662516494 453234357 /nfs/dbraw/zinc/23/43/57/453234357.db2.gz HSIZNYVNSNVUPV-QZTJIDSGSA-N 2 0 342.487 1.185 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000662525301 453245142 /nfs/dbraw/zinc/24/51/42/453245142.db2.gz ZKHNLRGUVXZQMR-CVEARBPZSA-N 2 0 346.475 1.993 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CCC)C2)CC[N@@H+]1CCOC ZINC000666924300 453251403 /nfs/dbraw/zinc/25/14/03/453251403.db2.gz BSRYANDFQCNYOW-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000653108655 453293721 /nfs/dbraw/zinc/29/37/21/453293721.db2.gz CSNRMHKHGPZMGY-QFBILLFUSA-N 2 0 346.519 1.814 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662575845 453303801 /nfs/dbraw/zinc/30/38/01/453303801.db2.gz QVXNWFXDMATQRI-NZSAHSFTSA-N 2 0 343.471 1.966 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)Cc2ccccc2C1 ZINC000653120813 453310157 /nfs/dbraw/zinc/31/01/57/453310157.db2.gz BGBALOMMXKKULQ-ZWKOTPCHSA-N 2 0 327.472 1.732 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000646319576 453314681 /nfs/dbraw/zinc/31/46/81/453314681.db2.gz LMKPDRJOSAHQBB-SJORKVTESA-N 2 0 337.508 1.963 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000653123142 453316167 /nfs/dbraw/zinc/31/61/67/453316167.db2.gz PFZGGHVGJCGXIG-QGZVFWFLSA-N 2 0 337.508 1.775 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CCO1 ZINC000664719780 453346841 /nfs/dbraw/zinc/34/68/41/453346841.db2.gz ZJVSMMMZWXZPJZ-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000653164367 453356504 /nfs/dbraw/zinc/35/65/04/453356504.db2.gz FVEYYWWTPQGOBL-FUHWJXTLSA-N 2 0 327.403 1.894 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000662674211 453390153 /nfs/dbraw/zinc/39/01/53/453390153.db2.gz ZYGPSCOHEBTRMO-MSOLQXFVSA-N 2 0 331.460 1.174 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662674096 453391026 /nfs/dbraw/zinc/39/10/26/453391026.db2.gz UZCXOFUHAPVMRG-MRXNPFEDSA-N 2 0 348.495 1.443 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](C1CC1)C1CCOCC1 ZINC000651246759 453391977 /nfs/dbraw/zinc/39/19/77/453391977.db2.gz LFYASONBJOYEMW-QGZVFWFLSA-N 2 0 340.512 1.326 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662680818 453400911 /nfs/dbraw/zinc/40/09/11/453400911.db2.gz ZCWUVBFTRKGLBV-HOCLYGCPSA-N 2 0 333.480 1.727 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223286 453411408 /nfs/dbraw/zinc/41/14/08/453411408.db2.gz HUOJOCHIVMNXTD-JOQOYGCGSA-N 2 0 335.423 1.433 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1ccc(C[NH3+])cc1F ZINC000653223287 453411485 /nfs/dbraw/zinc/41/14/85/453411485.db2.gz HUOJOCHIVMNXTD-SIIHOXLZSA-N 2 0 335.423 1.433 20 0 EDADRP CC[NH+]1CCC(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662694627 453415491 /nfs/dbraw/zinc/41/54/91/453415491.db2.gz YOBGBCRZLFHNNQ-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP [NH3+]CCCCC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662696162 453416092 /nfs/dbraw/zinc/41/60/92/453416092.db2.gz UXSQVAJLIDTCNM-UHFFFAOYSA-N 2 0 330.476 1.586 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCCc1ccc2[nH]ccc2c1 ZINC000664819391 453426481 /nfs/dbraw/zinc/42/64/81/453426481.db2.gz KYDDDPPOEHGZIM-UHFFFAOYSA-N 2 0 345.491 1.893 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000662709486 453432208 /nfs/dbraw/zinc/43/22/08/453432208.db2.gz RXXRUMMLGVXLTI-JCGIZDLHSA-N 2 0 331.460 1.692 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000646500148 453443118 /nfs/dbraw/zinc/44/31/18/453443118.db2.gz HZIDZEGFRFDWQL-QGZVFWFLSA-N 2 0 325.497 1.711 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000653266649 453447644 /nfs/dbraw/zinc/44/76/44/453447644.db2.gz CUNYICWJUQJJLM-DQFPXPCPSA-N 2 0 335.492 1.795 20 0 EDADRP COc1cccc([C@]2(C)CC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)c1 ZINC000656792125 453448043 /nfs/dbraw/zinc/44/80/43/453448043.db2.gz NTGUVADTFULWAH-OXQOHEQNSA-N 2 0 345.487 1.856 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)NC2CCN(c3nccn3C)CC2)cc1 ZINC000646555112 453466589 /nfs/dbraw/zinc/46/65/89/453466589.db2.gz KVMDQHFQLRKLEP-ZDUSSCGKSA-N 2 0 327.432 1.839 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[C@H]1F ZINC000662747780 453477390 /nfs/dbraw/zinc/47/73/90/453477390.db2.gz BEJACIOTHWMMHP-DJIMGWMZSA-N 2 0 337.414 1.935 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCO[C@@H]3C[NH3+])cc2)CC1 ZINC000662757069 453493943 /nfs/dbraw/zinc/49/39/43/453493943.db2.gz KEUZHZRJAVAOQW-QZTJIDSGSA-N 2 0 346.475 1.126 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)Nc2ccc(-c3nnc(C[NH3+])[nH]3)cc2)on1 ZINC000662773535 453509170 /nfs/dbraw/zinc/50/91/70/453509170.db2.gz VCTXWJQBSBUWAD-UHFFFAOYSA-N 2 0 341.375 1.365 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662789236 453524118 /nfs/dbraw/zinc/52/41/18/453524118.db2.gz VJABIGPGEAYMJV-CABCVRRESA-N 2 0 334.468 1.149 20 0 EDADRP CCC[C@H]1CN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC[N@@H+]1CCOC ZINC000662825526 453553198 /nfs/dbraw/zinc/55/31/98/453553198.db2.gz JNBMYCMRHIPHDC-GJZGRUSLSA-N 2 0 349.479 1.060 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662831815 453557429 /nfs/dbraw/zinc/55/74/29/453557429.db2.gz CLWCTGWEOLTEPY-MOPGFXCFSA-N 2 0 343.471 1.414 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000662834041 453560575 /nfs/dbraw/zinc/56/05/75/453560575.db2.gz XYXDFFLOMNHZMF-KURKYZTESA-N 2 0 337.508 1.726 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000662836719 453562684 /nfs/dbraw/zinc/56/26/84/453562684.db2.gz COUMHUAYQXPWTR-DBDOFBCQSA-N 2 0 335.492 1.652 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000662857355 453572566 /nfs/dbraw/zinc/57/25/66/453572566.db2.gz AIVYUTWCAGFWHD-KZNAEPCWSA-N 2 0 331.460 1.387 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662857583 453574024 /nfs/dbraw/zinc/57/40/24/453574024.db2.gz BKKQASGKVBEFGW-SJLPKXTDSA-N 2 0 331.460 1.259 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCO1 ZINC000659018317 453583025 /nfs/dbraw/zinc/58/30/25/453583025.db2.gz HLCCGVQSLBMNMQ-INIZCTEOSA-N 2 0 347.463 1.302 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662877718 453584472 /nfs/dbraw/zinc/58/44/72/453584472.db2.gz FVXFNCKQEVFIGK-CQSZACIVSA-N 2 0 330.388 1.782 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660826508 453590474 /nfs/dbraw/zinc/59/04/74/453590474.db2.gz AZKDCFXRQLJKAV-IRXDYDNUSA-N 2 0 340.512 1.515 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)C1 ZINC000659034555 453591398 /nfs/dbraw/zinc/59/13/98/453591398.db2.gz OGGLPFDYCZCKAH-RHSMWYFYSA-N 2 0 332.448 1.811 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000665173616 453600524 /nfs/dbraw/zinc/60/05/24/453600524.db2.gz UKWNZZLDGQZYCO-DQPZFDDXSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660844911 453602773 /nfs/dbraw/zinc/60/27/73/453602773.db2.gz WYNBAGPTZYRUAH-HNNXBMFYSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)CCO1 ZINC000662971681 453630909 /nfs/dbraw/zinc/63/09/09/453630909.db2.gz CZQUPOCUKJTVLQ-SJLPKXTDSA-N 2 0 331.460 1.790 20 0 EDADRP C[C@@H](CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000662973008 453630937 /nfs/dbraw/zinc/63/09/37/453630937.db2.gz NXDONPZNYVKIIG-DOTOQJQBSA-N 2 0 325.497 1.581 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000665285116 453635675 /nfs/dbraw/zinc/63/56/75/453635675.db2.gz CXYSKQGVKKYTFZ-XRXFAXGQSA-N 2 0 342.531 1.780 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663003280 453643878 /nfs/dbraw/zinc/64/38/78/453643878.db2.gz LGCBJXYZTHKSPP-MDZRGWNJSA-N 2 0 337.508 1.757 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000659349688 453724616 /nfs/dbraw/zinc/72/46/16/453724616.db2.gz MQWBYEWWVCBRTQ-BDEJMISXSA-N 2 0 349.425 1.916 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000665552780 453744372 /nfs/dbraw/zinc/74/43/72/453744372.db2.gz IMQPRKIJTBYPQZ-MRXNPFEDSA-N 2 0 341.544 1.384 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCNC2=O)CC1 ZINC000657284644 453758524 /nfs/dbraw/zinc/75/85/24/453758524.db2.gz UDCATDHNOUTVMW-SFHVURJKSA-N 2 0 344.503 1.834 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657309625 453763664 /nfs/dbraw/zinc/76/36/64/453763664.db2.gz HIVALMSRZUHUBU-LBPRGKRZSA-N 2 0 333.402 1.555 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657348228 453771432 /nfs/dbraw/zinc/77/14/32/453771432.db2.gz OMRVXKJUDJCCLJ-UHFFFAOYSA-N 2 0 347.429 1.802 20 0 EDADRP CN(C(=O)CC[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000663358993 453777566 /nfs/dbraw/zinc/77/75/66/453777566.db2.gz BQPZEYIYYAFQPV-MRXNPFEDSA-N 2 0 346.475 1.217 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(C(F)(F)F)nn2C)CC1 ZINC000657399223 453781314 /nfs/dbraw/zinc/78/13/14/453781314.db2.gz QXJDKNUROCZHGH-UHFFFAOYSA-N 2 0 334.386 1.764 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[NH+](CC)CC)c1 ZINC000414760882 486730361 /nfs/dbraw/zinc/73/03/61/486730361.db2.gz HUDXXFUYHJHWNS-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415551704 486751928 /nfs/dbraw/zinc/75/19/28/486751928.db2.gz YOHXBDUOFLRATB-UHFFFAOYSA-N 2 0 346.475 1.331 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000672699749 486768998 /nfs/dbraw/zinc/76/89/98/486768998.db2.gz FLLFCNXVAAFMAC-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000667507387 486814012 /nfs/dbraw/zinc/81/40/12/486814012.db2.gz QXRDBKLMYPOGBT-INIZCTEOSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)C2)CC1 ZINC000676698751 486845383 /nfs/dbraw/zinc/84/53/83/486845383.db2.gz PNSRWBBUSUXXQD-APWZRJJASA-N 2 0 348.535 1.678 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000667799541 486970039 /nfs/dbraw/zinc/97/00/39/486970039.db2.gz XQMILADSTMMXEY-CXAGYDPISA-N 2 0 331.464 1.921 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000681211915 486975020 /nfs/dbraw/zinc/97/50/20/486975020.db2.gz XFRHTYBAFPNBHT-RTBURBONSA-N 2 0 346.519 1.868 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1ccnc(OC)c1 ZINC000667812753 486978235 /nfs/dbraw/zinc/97/82/35/486978235.db2.gz VXFHUKWUIKRLLN-QGZVFWFLSA-N 2 0 348.491 1.507 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684199323 486983081 /nfs/dbraw/zinc/98/30/81/486983081.db2.gz NLYOXIRKDDASNB-IAGOWNOFSA-N 2 0 332.496 1.027 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000673862411 487136967 /nfs/dbraw/zinc/13/69/67/487136967.db2.gz KNDSLNNMBMAESN-UHFFFAOYSA-N 2 0 326.404 1.827 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000674165345 487209924 /nfs/dbraw/zinc/20/99/24/487209924.db2.gz VWQJGGQMBXDKQD-JKSUJKDBSA-N 2 0 338.496 1.080 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677981141 487218313 /nfs/dbraw/zinc/21/83/13/487218313.db2.gz VPWZKTQKTVZEKE-SFHVURJKSA-N 2 0 337.508 1.678 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000681978320 487270722 /nfs/dbraw/zinc/27/07/22/487270722.db2.gz VEQMQAXUBJXEBV-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682166109 487312457 /nfs/dbraw/zinc/31/24/57/487312457.db2.gz IZLJOTALVONNRJ-UHFFFAOYSA-N 2 0 329.448 1.464 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NC1CC=CC1 ZINC000675305420 487397233 /nfs/dbraw/zinc/39/72/33/487397233.db2.gz NGXCQBGFUZCZPJ-UHFFFAOYSA-N 2 0 329.448 1.612 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)CCO)cc1)C1CC[NH+](C)CC1 ZINC000682919323 487431136 /nfs/dbraw/zinc/43/11/36/487431136.db2.gz NIBADJQCXWSWIQ-AWEZNQCLSA-N 2 0 340.489 1.273 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CCC(O)(C(F)(F)F)CC3)C2)CC1 ZINC000675874632 487455177 /nfs/dbraw/zinc/45/51/77/487455177.db2.gz PCWVFMLCKUFBGP-BBBYJDLNSA-N 2 0 349.441 1.981 20 0 EDADRP C[C@H]([NH2+]C[C@]1(O)CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000675898282 487457657 /nfs/dbraw/zinc/45/76/57/487457657.db2.gz KSXFEPNIXNNDFM-FXAWDEMLSA-N 2 0 331.504 1.943 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942716 485476192 /nfs/dbraw/zinc/47/61/92/485476192.db2.gz MFEZOEOXCQWOSF-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@]([NH3+])(C(=O)N[C@@H]1CCC[NH2+]CC1)c1ccc(Br)cc1 ZINC000669514490 485480244 /nfs/dbraw/zinc/48/02/44/485480244.db2.gz HMRLQOZNIMMIGO-HIFRSBDPSA-N 2 0 340.265 1.881 20 0 EDADRP CC[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[C@H]1[NH3+] ZINC000669288042 485523070 /nfs/dbraw/zinc/52/30/70/485523070.db2.gz OBGANULZPVZYIT-MAUKXSAKSA-N 2 0 330.476 1.814 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+](C)C ZINC000669583456 485631994 /nfs/dbraw/zinc/63/19/94/485631994.db2.gz DDJKFXNDWHZDCS-JZXOWHBKSA-N 2 0 348.491 1.664 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+](C)C)cc1 ZINC000669586763 485637560 /nfs/dbraw/zinc/63/75/60/485637560.db2.gz SXNMFPYTBCIWNR-FUTAKVPZSA-N 2 0 334.464 1.891 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](CC)C1 ZINC000669145101 485733288 /nfs/dbraw/zinc/73/32/88/485733288.db2.gz IVNVZLDDKRPQFF-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCO1 ZINC000668623245 485963155 /nfs/dbraw/zinc/96/31/55/485963155.db2.gz GEEFGRLDBZNTGN-OFQRWUPVSA-N 2 0 336.436 1.174 20 0 EDADRP C[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000668626585 485966548 /nfs/dbraw/zinc/96/65/48/485966548.db2.gz CDLAIHAZFADDCP-MAUKXSAKSA-N 2 0 348.466 1.912 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000669323279 485969571 /nfs/dbraw/zinc/96/95/71/485969571.db2.gz GXYVRZZTUANPQY-SZMVWBNQSA-N 2 0 346.475 1.581 20 0 EDADRP Cn1ncc(Cl)c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000668667061 486017942 /nfs/dbraw/zinc/01/79/42/486017942.db2.gz QTZGPRDLQFNRPH-UHFFFAOYSA-N 2 0 329.876 1.419 20 0 EDADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000238015703 486024790 /nfs/dbraw/zinc/02/47/90/486024790.db2.gz IGEBIESESQJTIL-IBGZPJMESA-N 2 0 343.471 1.444 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000669403295 486073526 /nfs/dbraw/zinc/07/35/26/486073526.db2.gz SODFCYZUYIDCNI-CGTJXYLNSA-N 2 0 348.466 1.912 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629174137 486115038 /nfs/dbraw/zinc/11/50/38/486115038.db2.gz MKBDYUSSVATSIN-CYBMUJFWSA-N 2 0 331.416 1.291 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000669426316 486147143 /nfs/dbraw/zinc/14/71/43/486147143.db2.gz HZVNJIQBAPFPHA-WBVHZDCISA-N 2 0 346.475 1.378 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000669459228 486213226 /nfs/dbraw/zinc/21/32/26/486213226.db2.gz VTZDZGMZDORHHD-MSOLQXFVSA-N 2 0 330.476 1.541 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000669458661 486213360 /nfs/dbraw/zinc/21/33/60/486213360.db2.gz OYRPTIBVTINKGX-QGZVFWFLSA-N 2 0 348.491 1.897 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000669508598 486291585 /nfs/dbraw/zinc/29/15/85/486291585.db2.gz BWTQDYGNBRBXMG-FXAWDEMLSA-N 2 0 339.439 1.743 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000669508991 486291694 /nfs/dbraw/zinc/29/16/94/486291694.db2.gz ZEQHMSFKCRETTI-HOTGVXAUSA-N 2 0 331.391 1.693 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cn1 ZINC000670470965 486563061 /nfs/dbraw/zinc/56/30/61/486563061.db2.gz HKTUDSFGKNYHAN-UHFFFAOYSA-N 2 0 346.475 1.328 20 0 EDADRP C[C@@H](NC(=O)NCc1ccnc(N2CCCC2)c1)[C@@H]1CN(C)CCO1 ZINC000133082996 491219440 /nfs/dbraw/zinc/21/94/40/491219440.db2.gz YUHPCTOJSCIFKY-ZBFHGGJFSA-N 2 0 347.463 1.200 20 0 EDADRP CC(=O)N1CCN(C[C@H](O)C[N@@H+](C)Cc2ccccc2)C(C)(C)C1 ZINC000305779419 491245542 /nfs/dbraw/zinc/24/55/42/491245542.db2.gz RQNJHDYQTJKRJW-GOSISDBHSA-N 2 0 333.476 1.422 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000080056175 491170111 /nfs/dbraw/zinc/17/01/11/491170111.db2.gz GNTWLTDHLVFKJY-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP COCC[NH2+]CCNC(=O)N(Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000418497953 518061719 /nfs/dbraw/zinc/06/17/19/518061719.db2.gz KWZJLQHYIORRHG-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[NH+](C2CCOCC2)CC1)C(C)C ZINC000176139459 528903254 /nfs/dbraw/zinc/90/32/54/528903254.db2.gz GUJQFBFQUKQAEM-UHFFFAOYSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000347703362 535011553 /nfs/dbraw/zinc/01/15/53/535011553.db2.gz PWFZFAXLUWKQPJ-MSOLQXFVSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](CC3CC3)C2)C1 ZINC000339675567 535118432 /nfs/dbraw/zinc/11/84/32/535118432.db2.gz DSJPAOWOWVJVSE-QZTJIDSGSA-N 2 0 337.508 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](c2nc([C@@H]([NH3+])CC(C)C)no2)CC1=O ZINC000339389073 535551195 /nfs/dbraw/zinc/55/11/95/535551195.db2.gz MKIMCYVAIJBANJ-ZNMIVQPWSA-N 2 0 349.479 1.916 20 0 EDADRP CN(C)c1cccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)c1 ZINC000262083129 536151064 /nfs/dbraw/zinc/15/10/64/536151064.db2.gz KVKXXOAJIKTLLW-GOSISDBHSA-N 2 0 330.476 1.711 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@@H](C)C1 ZINC000247657095 536860413 /nfs/dbraw/zinc/86/04/13/536860413.db2.gz YUQWOOJGKYSXTM-IXDOHACOSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000743587846 579484780 /nfs/dbraw/zinc/48/47/80/579484780.db2.gz SUCQBYSZHWSJCA-IBGZPJMESA-N 2 0 346.519 1.750 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=S)NCC(C)(C)C[NH+](C)C ZINC000727081865 578517376 /nfs/dbraw/zinc/51/73/76/578517376.db2.gz ICFVPDWXARYQJQ-OAHLLOKOSA-N 2 0 344.569 1.491 20 0 EDADRP CCC[NH+]1CCC(CNC(=S)NCC2CC[NH+](C)CC2)CC1 ZINC000760477064 580031684 /nfs/dbraw/zinc/03/16/84/580031684.db2.gz MJKBDTCFSIVCML-UHFFFAOYSA-N 2 0 326.554 1.914 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000761550475 580059143 /nfs/dbraw/zinc/05/91/43/580059143.db2.gz OFVRNWYSHKBPRM-CVEARBPZSA-N 2 0 342.553 1.436 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)N[C@@](C)(C4CC4)C3=O)C2)CC1 ZINC000755781365 579934922 /nfs/dbraw/zinc/93/49/22/579934922.db2.gz VJDVVYWALYKUCB-KDOFPFPSSA-N 2 0 334.464 1.328 20 0 EDADRP CCCC[C@@H]1NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782162 579934938 /nfs/dbraw/zinc/93/49/38/579934938.db2.gz YGDLIYOYAZAGMN-CVEARBPZSA-N 2 0 336.480 1.718 20 0 EDADRP CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000769935338 580248902 /nfs/dbraw/zinc/24/89/02/580248902.db2.gz NNQHTWPNFNJAJM-MRXNPFEDSA-N 2 0 335.448 1.947 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000782638864 580581544 /nfs/dbraw/zinc/58/15/44/580581544.db2.gz WQMGZLQAPXEBDT-OAHLLOKOSA-N 2 0 346.475 1.330 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785417805 580643313 /nfs/dbraw/zinc/64/33/13/580643313.db2.gz MCOBOINNZHPOSM-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc1 ZINC000787636950 580700352 /nfs/dbraw/zinc/70/03/52/580700352.db2.gz ZSPQFLBNJCYMDV-ULJNDFNZSA-N 2 0 343.471 1.660 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCc1cccnc1F ZINC000793293842 580841101 /nfs/dbraw/zinc/84/11/01/580841101.db2.gz TVYGNPNEHXGJAQ-UHFFFAOYSA-N 2 0 339.459 1.636 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)[C@@H](C)C1 ZINC000800988095 581063541 /nfs/dbraw/zinc/06/35/41/581063541.db2.gz USDJPJAGQQXUFR-XUWVNRHRSA-N 2 0 341.496 1.534 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000891818802 590636016 /nfs/dbraw/zinc/63/60/16/590636016.db2.gz YKDYNLDMGKOEEK-SZMVWBNQSA-N 2 0 330.476 1.934 20 0 EDADRP CSc1ccc([C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[NH+](C)C)cc1 ZINC000891922154 590689371 /nfs/dbraw/zinc/68/93/71/590689371.db2.gz GOPADTFYMMSIEX-DZKIICNBSA-N 2 0 334.489 1.767 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@@H]1C(F)(F)F ZINC000891944982 590699397 /nfs/dbraw/zinc/69/93/97/590699397.db2.gz QDGHWEKJZPPCSW-RISCZKNCSA-N 2 0 348.413 1.782 20 0 EDADRP COCCC1(NC(=O)NC2CC[NH+](C3CCC3)CC2)CC[NH2+]CC1 ZINC000891944984 590699436 /nfs/dbraw/zinc/69/94/36/590699436.db2.gz QFVMGHKTMURSJB-UHFFFAOYSA-N 2 0 338.496 1.461 20 0 EDADRP C[C@@]12CN(C(=O)N[C@H](C[NH3+])C3CC3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000892029473 590757818 /nfs/dbraw/zinc/75/78/18/590757818.db2.gz VWVRMESTFMKIBL-NLWGTHIKSA-N 2 0 342.487 1.887 20 0 EDADRP [NH3+][C@@H](CCNC(=O)NC[C@H]([NH3+])c1ccccc1)Cc1ccccc1 ZINC000892031270 590759666 /nfs/dbraw/zinc/75/96/66/590759666.db2.gz UHINNTJXAKOOEX-ROUUACIJSA-N 2 0 326.444 1.946 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052642 590773712 /nfs/dbraw/zinc/77/37/12/590773712.db2.gz DPLDQFBINJLMGL-WBVHZDCISA-N 2 0 330.476 1.935 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NC[C@@]2(C)CCC[NH2+]C2)c1 ZINC000892059975 590779286 /nfs/dbraw/zinc/77/92/86/590779286.db2.gz KZHZBXIZHDZZRH-MJGOQNOKSA-N 2 0 346.475 1.741 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000892098094 590797935 /nfs/dbraw/zinc/79/79/35/590797935.db2.gz XFBYOPGGSQKCCN-HOCLYGCPSA-N 2 0 326.485 1.127 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ncc(Br)cc1O ZINC000893368110 590811266 /nfs/dbraw/zinc/81/12/66/590811266.db2.gz SVPSTKQJOCGBFK-GFCCVEGCSA-N 2 0 346.269 1.996 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000892154639 590826705 /nfs/dbraw/zinc/82/67/05/590826705.db2.gz LDAXFQKEEFXAKK-ZFZWDLNGSA-N 2 0 334.439 1.555 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892163277 590833878 /nfs/dbraw/zinc/83/38/78/590833878.db2.gz LYXMYCBKRQZUKD-HZPDHXFCSA-N 2 0 331.464 1.834 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000892191927 590857625 /nfs/dbraw/zinc/85/76/25/590857625.db2.gz SYPSPJFDQMAWMB-KBRIMQKVSA-N 2 0 328.460 1.520 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000893418588 590858432 /nfs/dbraw/zinc/85/84/32/590858432.db2.gz YVUAVDKHLNZJPE-NVXWUHKLSA-N 2 0 342.553 1.797 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2C[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000893431150 590865601 /nfs/dbraw/zinc/86/56/01/590865601.db2.gz IRYJJXQDVXSXGV-NVXWUHKLSA-N 2 0 334.439 1.603 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CC[NH+](C4CCCC4)CC3)C[C@]2(C)C1 ZINC000893437863 590871275 /nfs/dbraw/zinc/87/12/75/590871275.db2.gz XLLLYOYGDUGHPI-BEFAXECRSA-N 2 0 334.508 1.987 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000892257818 590890862 /nfs/dbraw/zinc/89/08/62/590890862.db2.gz SXFPPPYHLAYVCY-BMFAXAFESA-N 2 0 346.450 1.855 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892324805 590945777 /nfs/dbraw/zinc/94/57/77/590945777.db2.gz ZYSAHHOGQJZJMN-AYGBPOKTSA-N 2 0 328.460 1.662 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@H]21 ZINC000892329654 590953286 /nfs/dbraw/zinc/95/32/86/590953286.db2.gz LXVMYFLXVWIGQQ-KBAYOESNSA-N 2 0 328.460 1.601 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892332364 590959807 /nfs/dbraw/zinc/95/98/07/590959807.db2.gz OVKSWYUOGBRVHM-HNNXBMFYSA-N 2 0 330.476 1.958 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892342699 590970988 /nfs/dbraw/zinc/97/09/88/590970988.db2.gz MLTGIHDSSUVOOB-KBXCAEBGSA-N 2 0 330.476 1.814 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000892408540 591015501 /nfs/dbraw/zinc/01/55/01/591015501.db2.gz RGJBYTPLHIRYTI-QGZVFWFLSA-N 2 0 348.491 1.486 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)CC1 ZINC000892430292 591024856 /nfs/dbraw/zinc/02/48/56/591024856.db2.gz FEAAQNBAJLDYCT-FDYHWXHSSA-N 2 0 336.402 1.673 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N2C3CCC2(C[NH3+])CC3)C1 ZINC000892465371 591036969 /nfs/dbraw/zinc/03/69/69/591036969.db2.gz USYSCSZWPQFXID-PQUAAJSLSA-N 2 0 338.496 1.495 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000892479591 591041651 /nfs/dbraw/zinc/04/16/51/591041651.db2.gz HPWJDPTYEILXEL-INIZCTEOSA-N 2 0 348.491 1.911 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892495721 591049127 /nfs/dbraw/zinc/04/91/27/591049127.db2.gz SIDNYGUAZOOODS-OAHLLOKOSA-N 2 0 340.512 1.299 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000891346561 591052332 /nfs/dbraw/zinc/05/23/32/591052332.db2.gz CRAQBOVGNJBTBQ-QGTPRVQTSA-N 2 0 330.476 1.860 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000891448610 591075499 /nfs/dbraw/zinc/07/54/99/591075499.db2.gz RVAVYHNRVHJMOF-YOEHRIQHSA-N 2 0 334.464 1.691 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)N2CCC(c3ncc4n3CCCC4)CC2)C1 ZINC000892570866 591077434 /nfs/dbraw/zinc/07/74/34/591077434.db2.gz RSHPIPSKWFJPCD-CTYIDZIISA-N 2 0 331.464 1.846 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)[C@H]1OC ZINC000892576275 591079312 /nfs/dbraw/zinc/07/93/12/591079312.db2.gz AQBGLRDJUCHBFQ-XUVXKRRUSA-N 2 0 347.503 1.716 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000891517029 591103355 /nfs/dbraw/zinc/10/33/55/591103355.db2.gz JJPGDLKIEDNINX-QAQDUYKDSA-N 2 0 346.475 1.180 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000891538414 591112703 /nfs/dbraw/zinc/11/27/03/591112703.db2.gz XXDZKCWNVZWWCH-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000893989047 591160761 /nfs/dbraw/zinc/16/07/61/591160761.db2.gz IDMBJQBXECSPSW-CALCHBBNSA-N 2 0 343.475 1.501 20 0 EDADRP CCn1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(C)n1 ZINC000892757827 591163082 /nfs/dbraw/zinc/16/30/82/591163082.db2.gz KLGSXZBATRADJW-UHFFFAOYSA-N 2 0 342.491 1.908 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755419 591163586 /nfs/dbraw/zinc/16/35/86/591163586.db2.gz HQUDPWQDAZZCTH-GJZGRUSLSA-N 2 0 326.485 1.160 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755497 591163649 /nfs/dbraw/zinc/16/36/49/591163649.db2.gz INZVMCWEWNZQOG-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000891648378 591167770 /nfs/dbraw/zinc/16/77/70/591167770.db2.gz UYSROLOJCBYZNH-CZIWCDLHSA-N 2 0 346.475 1.180 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000891670868 591177055 /nfs/dbraw/zinc/17/70/55/591177055.db2.gz UPRIJTFGGCQOJF-LPHOPBHVSA-N 2 0 344.503 1.978 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CC[NH2+]C1 ZINC000891694983 591187363 /nfs/dbraw/zinc/18/73/63/591187363.db2.gz VSBAVUHMNSSFCR-BRWVUGGUSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891703701 591192391 /nfs/dbraw/zinc/19/23/91/591192391.db2.gz FGJGYWOHLQZOTP-JCGIZDLHSA-N 2 0 343.475 1.753 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)ccn1 ZINC000891727080 591200852 /nfs/dbraw/zinc/20/08/52/591200852.db2.gz NVVSZICNXDUVNG-JKSUJKDBSA-N 2 0 347.463 1.058 20 0 EDADRP CCn1cc(C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)c(C)n1 ZINC000892867018 591208605 /nfs/dbraw/zinc/20/86/05/591208605.db2.gz VFIVPHRGWRECAH-UHFFFAOYSA-N 2 0 343.475 1.793 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891749693 591209584 /nfs/dbraw/zinc/20/95/84/591209584.db2.gz VFNZQWMWEIOPTA-MJGOQNOKSA-N 2 0 343.475 1.882 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H](C[NH+]3CCCC3)C1)C2 ZINC000892880271 591213678 /nfs/dbraw/zinc/21/36/78/591213678.db2.gz ACANNXHJANPICR-CYBMUJFWSA-N 2 0 349.504 1.498 20 0 EDADRP Cn1nc2c(c1C[NH+]1CCC(C[NH+]3CCN(C)CC3)CC1)CCC2 ZINC000894457743 591316630 /nfs/dbraw/zinc/31/66/30/591316630.db2.gz FUMPUAFOZBZFKH-UHFFFAOYSA-N 2 0 331.508 1.368 20 0 EDADRP Cc1nn(C)c(CN2CCC(C[NH+]3CCN(C)CC3)CC2)c1Cl ZINC000894457974 591317088 /nfs/dbraw/zinc/31/70/88/591317088.db2.gz KXJZFSNPFXEAHL-UHFFFAOYSA-N 2 0 339.915 1.841 20 0 EDADRP CC(=O)OC[C@@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000896019735 591325032 /nfs/dbraw/zinc/32/50/32/591325032.db2.gz SBSKIOIKTWBMSS-MRXNPFEDSA-N 2 0 334.460 1.945 20 0 EDADRP CC(=O)OC[C@H](C)[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000896019732 591325097 /nfs/dbraw/zinc/32/50/97/591325097.db2.gz SBSKIOIKTWBMSS-INIZCTEOSA-N 2 0 334.460 1.945 20 0 EDADRP C[C@@H](NC(=O)C1C[NH+](C2CCOCC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000897419907 591379210 /nfs/dbraw/zinc/37/92/10/591379210.db2.gz IANGKASJQNNDAR-DNVCBOLYSA-N 2 0 345.487 1.905 20 0 EDADRP CN(C)S(=O)(=O)Cc1ccc(C[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000896278539 591407232 /nfs/dbraw/zinc/40/72/32/591407232.db2.gz WEJYHDSKMPRUMU-UHFFFAOYSA-N 2 0 339.505 1.509 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000896353639 591434554 /nfs/dbraw/zinc/43/45/54/591434554.db2.gz YOBFBWFSMONHKN-ZHALLVOQSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@@H]1CN(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C)CO1 ZINC000898668909 591467205 /nfs/dbraw/zinc/46/72/05/591467205.db2.gz MHPRSJHHSSFRIH-PSBWJHGTSA-N 2 0 345.487 1.905 20 0 EDADRP CO[C@H](C[NH2+][C@@H]1CCc2ncc(Br)n2C1)[C@@H]1CCOC1 ZINC000898720913 591484193 /nfs/dbraw/zinc/48/41/93/591484193.db2.gz OHRRJUNVAKXTFH-IJLUTSLNSA-N 2 0 344.253 1.602 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1C[NH+](C2CCOCC2)C1 ZINC000898782905 591525291 /nfs/dbraw/zinc/52/52/91/591525291.db2.gz MFPGZEGZBWAXDC-INIZCTEOSA-N 2 0 335.492 1.620 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(O)CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000897695947 591621125 /nfs/dbraw/zinc/62/11/25/591621125.db2.gz WJPUEKSZBYCMFT-KBXCAEBGSA-N 2 0 341.496 1.821 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C2C[NH+]([C@H]3CCOC3)C2)cc1 ZINC000897698125 591621558 /nfs/dbraw/zinc/62/15/58/591621558.db2.gz NJRFOVZDGIKDHS-FUHWJXTLSA-N 2 0 347.459 1.135 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)n[nH]1 ZINC000898990692 591628267 /nfs/dbraw/zinc/62/82/67/591628267.db2.gz LQFSZJPDMYGRRU-RHSMWYFYSA-N 2 0 349.479 1.359 20 0 EDADRP O=C(NC1CCC([NH+]2CCCCC2)CC1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896877116 591643172 /nfs/dbraw/zinc/64/31/72/591643172.db2.gz OAFIGIYQVJGFPO-DAWZGUTISA-N 2 0 335.492 1.620 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3cc([C@H]4CCCN4C)[nH]n3)[C@H]2C1 ZINC000897850025 591695424 /nfs/dbraw/zinc/69/54/24/591695424.db2.gz NMZLBBCAZSAYJU-IXDOHACOSA-N 2 0 347.463 1.112 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCOC3(CCC3)C2)C[C@H]1C[NH+](C)C ZINC000899157155 591711176 /nfs/dbraw/zinc/71/11/76/591711176.db2.gz GKNKZWGVBISHQU-BRWVUGGUSA-N 2 0 337.508 1.534 20 0 EDADRP CC(=O)c1cncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000899157683 591711597 /nfs/dbraw/zinc/71/15/97/591711597.db2.gz KQBOGWWCPNOLDT-IAGOWNOFSA-N 2 0 332.448 1.096 20 0 EDADRP OC[C@@H]1COc2ccccc2[C@@H]1[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000897948618 591733592 /nfs/dbraw/zinc/73/35/92/591733592.db2.gz OATRCQHWHKEKGZ-SIXWZSSISA-N 2 0 332.444 1.572 20 0 EDADRP O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895467776 591768838 /nfs/dbraw/zinc/76/88/38/591768838.db2.gz NXEWPYQQFPDNKR-RBUKOAKNSA-N 2 0 343.471 1.660 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1(C)C ZINC000898372341 591897292 /nfs/dbraw/zinc/89/72/92/591897292.db2.gz OWQHPNLTLWMUJO-NWDGAFQWSA-N 2 0 339.871 1.877 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000902351553 591985068 /nfs/dbraw/zinc/98/50/68/591985068.db2.gz ZPWFBUDSDDTQAC-KBPBESRZSA-N 2 0 336.432 1.523 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900339111 591988803 /nfs/dbraw/zinc/98/88/03/591988803.db2.gz LJQXKGYWBLWTNR-YJBOKZPZSA-N 2 0 325.497 1.460 20 0 EDADRP C/C(=C/C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CN1CCOCC1 ZINC000900339881 591989223 /nfs/dbraw/zinc/98/92/23/591989223.db2.gz SJRKTPSCSVAQJG-BQGMYUGNSA-N 2 0 337.508 1.892 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CC2(N3CCOCC3)CCOCC2)C1 ZINC000902390109 591989919 /nfs/dbraw/zinc/98/99/19/591989919.db2.gz HDGYOTIGYJFBAI-MRXNPFEDSA-N 2 0 325.497 1.236 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cn1)C1([NH3+])CC1 ZINC000902393091 591990533 /nfs/dbraw/zinc/99/05/33/591990533.db2.gz PDCMAXDCUKAHHD-SECBINFHSA-N 2 0 327.226 1.043 20 0 EDADRP C[C@@H]1CN(c2cc(N3CC[C@H](C[NH3+])[C@H](C)C3)ncn2)CC[C@@H]1C[NH3+] ZINC000900385953 592002822 /nfs/dbraw/zinc/00/28/22/592002822.db2.gz YVUXLJNVTPHJEV-KLHDSHLOSA-N 2 0 332.496 1.319 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902516010 592009161 /nfs/dbraw/zinc/00/91/61/592009161.db2.gz BNSXNDAKQKLSTD-UTUOFQBUSA-N 2 0 325.844 1.664 20 0 EDADRP CCc1noc(C(=O)NCC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000902641685 592029318 /nfs/dbraw/zinc/02/93/18/592029318.db2.gz RHAQPGZQVMBLJS-UHFFFAOYSA-N 2 0 335.452 1.312 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC000900689022 592094989 /nfs/dbraw/zinc/09/49/89/592094989.db2.gz OPCAFVOPLNWIPE-ZWKOTPCHSA-N 2 0 336.524 1.537 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)CC2)C1 ZINC000900725947 592105961 /nfs/dbraw/zinc/10/59/61/592105961.db2.gz PVFBMJFHGAPNLQ-BZSNNMDCSA-N 2 0 334.508 1.242 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000900828082 592139769 /nfs/dbraw/zinc/13/97/69/592139769.db2.gz LIXPSKZTXXXHFF-MRXNPFEDSA-N 2 0 325.497 1.628 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+]CC2(O)CCC3(CC2)OCCO3)CC1 ZINC000903374592 592163174 /nfs/dbraw/zinc/16/31/74/592163174.db2.gz LUXYQXPMHXCUTN-UHFFFAOYSA-N 2 0 326.481 1.887 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000900914824 592170654 /nfs/dbraw/zinc/17/06/54/592170654.db2.gz KVWSTLGKFAUPRW-MRXNPFEDSA-N 2 0 333.480 1.249 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H]1CCN(C3CCCCC3)C1=O)C2 ZINC000903495099 592186763 /nfs/dbraw/zinc/18/67/63/592186763.db2.gz VFRITIOPCFBDMJ-MVWRLGRASA-N 2 0 349.475 1.132 20 0 EDADRP CCOc1ccc(OCCNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903496525 592187730 /nfs/dbraw/zinc/18/77/30/592187730.db2.gz QWFLWUQBSJACON-HZPDHXFCSA-N 2 0 349.475 1.497 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)C12CC[NH+](CC1)C2 ZINC000900980938 592188487 /nfs/dbraw/zinc/18/84/87/592188487.db2.gz KSLDOEFHTSWBPY-UHFFFAOYSA-N 2 0 335.492 1.481 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511051 592190694 /nfs/dbraw/zinc/19/06/94/592190694.db2.gz MUDVIHVTRYMLCG-OLMNPRSZSA-N 2 0 334.508 1.334 20 0 EDADRP Cc1nc(CC2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)no1 ZINC000903565882 592212753 /nfs/dbraw/zinc/21/27/53/592212753.db2.gz FZBIZNHHQSYJFM-ROUUACIJSA-N 2 0 344.459 1.563 20 0 EDADRP O=S(=O)(N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1)C1C[NH2+]C1 ZINC000903600333 592230393 /nfs/dbraw/zinc/23/03/93/592230393.db2.gz GTXIEGSULMTXAT-IXDOHACOSA-N 2 0 349.500 1.178 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000904351486 592237166 /nfs/dbraw/zinc/23/71/66/592237166.db2.gz ZUZMLPKLKFIAJG-DLBZAZTESA-N 3 0 332.492 1.901 20 0 EDADRP CC(C)c1nn(C)c(N(C)C)c1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000904392658 592243325 /nfs/dbraw/zinc/24/33/25/592243325.db2.gz WRAJWUZTJNODCG-OAHLLOKOSA-N 2 0 349.523 1.939 20 0 EDADRP CC[C@@H](C(=O)NC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C)[NH+](C)C ZINC000907973725 592243521 /nfs/dbraw/zinc/24/35/21/592243521.db2.gz NWMNUAIDNIGZGP-KKUMJFAQSA-N 2 0 342.528 1.314 20 0 EDADRP Cn1c2ccc(C[NH+]3CCC4(CO[C@@H](C[NH3+])C4)CC3)cc2sc1=O ZINC000904393339 592244066 /nfs/dbraw/zinc/24/40/66/592244066.db2.gz QKUZRMHWTCMYSM-CQSZACIVSA-N 2 0 347.484 1.930 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906680278 592261868 /nfs/dbraw/zinc/26/18/68/592261868.db2.gz MSEPNWLHRYUQAD-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4CC[C@]43C[NH3+])cn2)CC1 ZINC000904530829 592280171 /nfs/dbraw/zinc/28/01/71/592280171.db2.gz PIESUUVIICUCAQ-DYVFJYSZSA-N 2 0 332.452 1.495 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(F)c(Cl)c2)C1 ZINC000903713264 592291625 /nfs/dbraw/zinc/29/16/25/592291625.db2.gz KVOBUIDIRXYLTN-LBPRGKRZSA-N 2 0 343.830 1.645 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)c1 ZINC000906728634 592296003 /nfs/dbraw/zinc/29/60/03/592296003.db2.gz MLNFRFQZMIIRPG-IXDOHACOSA-N 2 0 344.459 1.476 20 0 EDADRP COc1cccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)c1 ZINC000903734230 592298026 /nfs/dbraw/zinc/29/80/26/592298026.db2.gz WEZIJIXBCARKAJ-RTBURBONSA-N 2 0 331.460 1.586 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904652095 592304312 /nfs/dbraw/zinc/30/43/12/592304312.db2.gz MCXGDKNODWVATF-CQSZACIVSA-N 2 0 334.464 1.702 20 0 EDADRP CCOC(=O)[C@@H]1C[NH2+]CC[C@@H]1N(CCC[NH2+]C)Cc1ccccc1 ZINC000903795303 592315737 /nfs/dbraw/zinc/31/57/37/592315737.db2.gz KCIFLYLEVPBHON-MSOLQXFVSA-N 2 0 333.476 1.639 20 0 EDADRP C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)OC1CCSCC1 ZINC000903775574 592317780 /nfs/dbraw/zinc/31/77/80/592317780.db2.gz MFUZWVIYYXUEBD-KRWDZBQOSA-N 2 0 328.522 1.989 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)c1 ZINC000903782196 592320900 /nfs/dbraw/zinc/32/09/00/592320900.db2.gz GTXXIWHIPFOWHI-OALUTQOASA-N 2 0 345.487 1.800 20 0 EDADRP COc1ccc(F)cc1-c1cncc(CN2CC[NH2+]CC[NH2+]CC2)c1 ZINC000903787778 592322881 /nfs/dbraw/zinc/32/28/81/592322881.db2.gz ZJAUMRWZMIHPQC-UHFFFAOYSA-N 2 0 344.434 1.891 20 0 EDADRP COc1ccc([C@H](CO)[N@H+](C)C[C@H](C[NH3+])Cc2cnn(C)c2C)cc1 ZINC000903893063 592366614 /nfs/dbraw/zinc/36/66/14/592366614.db2.gz PLVXLVFLWLYZIO-KXBFYZLASA-N 2 0 346.475 1.520 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000903899537 592370496 /nfs/dbraw/zinc/37/04/96/592370496.db2.gz TTZOUMIZIFAUJB-QGZVFWFLSA-N 2 0 341.459 1.998 20 0 EDADRP c1ncn(-c2cccc(C[NH2+]Cc3cnnn3[C@H]3CCC[NH2+]C3)c2)n1 ZINC000903919269 592376924 /nfs/dbraw/zinc/37/69/24/592376924.db2.gz CGHBNDHMJQSLBL-INIZCTEOSA-N 2 0 338.419 1.073 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]CCOc2ccc(F)cc2F)cnn1C ZINC000903922610 592378015 /nfs/dbraw/zinc/37/80/15/592378015.db2.gz AOBPXYPIROXBLH-ZDUSSCGKSA-N 2 0 338.402 1.793 20 0 EDADRP COc1ccc2c(c1)OC[C@H]([NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)C2 ZINC000903926664 592381238 /nfs/dbraw/zinc/38/12/38/592381238.db2.gz NSIMYMSTVBAOGD-CABCVRRESA-N 2 0 343.431 1.305 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2C[C@H](O)C[C@H]2c2ccccc2)cnn1C ZINC000903929843 592382733 /nfs/dbraw/zinc/38/27/33/592382733.db2.gz MMMYAUUDOYTBOQ-LZQZEXGQSA-N 2 0 328.460 1.654 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931424 592384023 /nfs/dbraw/zinc/38/40/23/592384023.db2.gz DHPSVOLWSSZECY-SJLPKXTDSA-N 3 0 333.524 1.558 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C1CC[NH+](CC)CC1 ZINC000905027057 592385372 /nfs/dbraw/zinc/38/53/72/592385372.db2.gz PHBVEXJNIZDZKY-MAUKXSAKSA-N 2 0 326.481 1.935 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)CCC3(O)CCC3)CC2)CC1 ZINC000905082034 592389704 /nfs/dbraw/zinc/38/97/04/592389704.db2.gz RPPYKZFZXKMIHR-GOSISDBHSA-N 2 0 339.524 1.191 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000905058403 592395873 /nfs/dbraw/zinc/39/58/73/592395873.db2.gz FWTQTGCTCIJPMK-TXPKVOOTSA-N 2 0 338.492 1.935 20 0 EDADRP C[C@@H]1c2c[nH]nc2CC[C@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000906906015 592397065 /nfs/dbraw/zinc/39/70/65/592397065.db2.gz DZNHEFZRXFSULP-DZGCQCFKSA-N 2 0 333.480 1.218 20 0 EDADRP c1ccc(N2CCC([NH2+][C@H]3CNCC4(CCOCC4)C3)CC2)nc1 ZINC000903972415 592397232 /nfs/dbraw/zinc/39/72/32/592397232.db2.gz IBMBWUHNZUSWPX-QGZVFWFLSA-N 3 0 330.476 1.799 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)CCOCc1ccccc1 ZINC000905093733 592418882 /nfs/dbraw/zinc/41/88/82/592418882.db2.gz BJBJVWGIFMPETH-HKUYNNGSSA-N 2 0 335.492 1.180 20 0 EDADRP CC(C)(C)CC[C@@H]([NH3+])CN1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC000904306920 592473052 /nfs/dbraw/zinc/47/30/52/592473052.db2.gz HKPMQIOLURVRQV-QGZVFWFLSA-N 2 0 338.540 1.770 20 0 EDADRP CSC1(C[NH2+]C[C@H](O)CC2(CO)CCCC2)CC[NH+](C)CC1 ZINC000905263232 592481630 /nfs/dbraw/zinc/48/16/30/592481630.db2.gz LREABIZXBXOGCK-OAHLLOKOSA-N 2 0 330.538 1.707 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000908600686 592549491 /nfs/dbraw/zinc/54/94/91/592549491.db2.gz OBICQDLIZLZIPL-UHFFFAOYSA-N 2 0 339.524 1.993 20 0 EDADRP CC[C@](O)(C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@H]2C(C)C)C[C@H]1O)C(F)(F)F ZINC000905495921 592553772 /nfs/dbraw/zinc/55/37/72/592553772.db2.gz OAUPTNXLCTUMHS-MRLBHPIUSA-N 2 0 338.414 1.759 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+]Cc1cc(N(C)C)ccn1 ZINC000905525351 592560790 /nfs/dbraw/zinc/56/07/90/592560790.db2.gz NAHKCNLYKCLJFL-GOSISDBHSA-N 2 0 345.443 1.824 20 0 EDADRP Cn1c2ccccc2nc1N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000905700709 592614567 /nfs/dbraw/zinc/61/45/67/592614567.db2.gz OZHNNZPXAFSVTK-IYBDPMFKSA-N 2 0 325.460 1.978 20 0 EDADRP CCOC(=O)[C@H]1CCC[N@H+](CC(=O)N(CC)C2CC[NH+](C)CC2)C1 ZINC000908915487 592659107 /nfs/dbraw/zinc/65/91/07/592659107.db2.gz AURBZXDGYVMHKZ-HNNXBMFYSA-N 2 0 339.480 1.204 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000907806035 592789542 /nfs/dbraw/zinc/78/95/42/592789542.db2.gz QAKPRBMSIIRNDP-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000910933217 592902084 /nfs/dbraw/zinc/90/20/84/592902084.db2.gz IIHDZUNAGUJJOZ-AWEZNQCLSA-N 2 0 340.512 1.022 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911663532 592973218 /nfs/dbraw/zinc/97/32/18/592973218.db2.gz DUMYLSPCUFOXIG-CYBMUJFWSA-N 2 0 327.375 1.446 20 0 EDADRP C[NH2+]C1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCC1 ZINC000911744737 592995434 /nfs/dbraw/zinc/99/54/34/592995434.db2.gz LNDGTRYCWOZPGR-HNNXBMFYSA-N 2 0 331.416 1.676 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@]23C[NH2+]C[C@H]2CCOC3)cc1 ZINC000911765385 593000142 /nfs/dbraw/zinc/00/01/42/593000142.db2.gz TYTYELHHGXUUQM-LMMKCTJWSA-N 2 0 331.460 1.552 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000911766052 593000330 /nfs/dbraw/zinc/00/03/30/593000330.db2.gz FEYHQGGHMBYFIB-KRWDZBQOSA-N 2 0 333.476 1.675 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000911769478 593001410 /nfs/dbraw/zinc/00/14/10/593001410.db2.gz VCROOPTUZHMRLY-CTEOGUNLSA-N 2 0 331.460 1.756 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000911842390 593021769 /nfs/dbraw/zinc/02/17/69/593021769.db2.gz VCRLGHXNPISELE-UHFFFAOYSA-N 2 0 345.487 1.947 20 0 EDADRP [NH3+]CCCc1ccc(OCC(=O)N[C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000911817386 593022763 /nfs/dbraw/zinc/02/27/63/593022763.db2.gz CFZVVPYUAZNGLH-SFHVURJKSA-N 2 0 333.476 1.981 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000912584942 593106403 /nfs/dbraw/zinc/10/64/03/593106403.db2.gz UZJBYXCUXBGTAH-QGZVFWFLSA-N 2 0 337.508 1.602 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000838475459 593177251 /nfs/dbraw/zinc/17/72/51/593177251.db2.gz FCXRAFZJBYNQCQ-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1CN(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C(=O)[C@@H]1C ZINC000840041571 593409114 /nfs/dbraw/zinc/40/91/14/593409114.db2.gz KUOZZOFAGJDLRT-DLBZAZTESA-N 2 0 337.508 1.883 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000811743427 593477919 /nfs/dbraw/zinc/47/79/19/593477919.db2.gz RGDYACAQOIZIAQ-IAGOWNOFSA-N 2 0 335.492 1.778 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000811953348 593487308 /nfs/dbraw/zinc/48/73/08/593487308.db2.gz ABSRFHKVFUCPQP-NVXWUHKLSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@@H]1C[C@H](C)N(CC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C[C@H]1C[NH3+] ZINC000817880073 593643747 /nfs/dbraw/zinc/64/37/47/593643747.db2.gz LKUXVSVTCXTSLV-GRYCIOLGSA-N 2 0 331.420 1.512 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCOC2=O)cc1 ZINC000817935033 593650263 /nfs/dbraw/zinc/65/02/63/593650263.db2.gz FEJXYXXUSQQUNW-HNNXBMFYSA-N 2 0 332.448 1.589 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(Cl)c(N)c(Cl)c1 ZINC000817945744 593651020 /nfs/dbraw/zinc/65/10/20/593651020.db2.gz KPJKBKOREKEYCV-VIFPVBQESA-N 2 0 331.247 1.658 20 0 EDADRP CN(C[C@H](O)C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000818963612 593730685 /nfs/dbraw/zinc/73/06/85/593730685.db2.gz VWXGINHWLLIOQM-SOUVJXGZSA-N 2 0 327.469 1.431 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]C[C@@H](O)c3ccc(F)c(F)c3)C2)CC1 ZINC000819052851 593735854 /nfs/dbraw/zinc/73/58/54/593735854.db2.gz FNDJRQUDEHLOCD-RDTXWAMCSA-N 2 0 339.430 1.756 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000819059202 593736390 /nfs/dbraw/zinc/73/63/90/593736390.db2.gz WKLZLMGHEMQQSP-YOEHRIQHSA-N 2 0 325.884 1.847 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000819059050 593736457 /nfs/dbraw/zinc/73/64/57/593736457.db2.gz UAYKOBLCKZNIEZ-SUMWQHHRSA-N 2 0 343.874 1.986 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@H](O)c1cc(F)ccc1F)N1CC[NH+](C)CC1 ZINC000819062538 593736868 /nfs/dbraw/zinc/73/68/68/593736868.db2.gz RLISXGFREVKFBO-ROUUACIJSA-N 2 0 341.446 1.860 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821583410 593869368 /nfs/dbraw/zinc/86/93/68/593869368.db2.gz UOMHLMSNCJLUIU-CQSZACIVSA-N 2 0 330.436 1.519 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000820810050 593895166 /nfs/dbraw/zinc/89/51/66/593895166.db2.gz NSJBTCKYUZXNIS-UHFFFAOYSA-N 3 0 331.508 1.668 20 0 EDADRP O=C(C[NH+]1CCCC1)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000821715570 593922479 /nfs/dbraw/zinc/92/24/79/593922479.db2.gz DHNJCLMANUXCLR-UHFFFAOYSA-N 2 0 345.487 1.916 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252680 593997333 /nfs/dbraw/zinc/99/73/33/593997333.db2.gz AZKVGMZQWJAISA-COXVUDFISA-N 2 0 344.463 1.562 20 0 EDADRP COc1cc(-c2noc(CC[C@@H](C)[NH3+])n2)ccc1OCC[NH+](C)C ZINC000822925701 594122780 /nfs/dbraw/zinc/12/27/80/594122780.db2.gz IHVQDQWTCBYXGK-GFCCVEGCSA-N 2 0 334.420 1.965 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(C[C@H]4CC[NH2+]C4)n3)cn2)CC1 ZINC000822956675 594128283 /nfs/dbraw/zinc/12/82/83/594128283.db2.gz NIFZLSDYDWRUTI-CQSZACIVSA-N 2 0 342.447 1.426 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC000825513402 594195366 /nfs/dbraw/zinc/19/53/66/594195366.db2.gz SRGMMNMTIVEXAH-MRXNPFEDSA-N 2 0 325.497 1.458 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C(/C)c1cnccn1 ZINC000825567586 594201450 /nfs/dbraw/zinc/20/14/50/594201450.db2.gz CFZPFASFYICRDO-VZVUQDNOSA-N 2 0 345.491 1.754 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC000827621746 594245982 /nfs/dbraw/zinc/24/59/82/594245982.db2.gz ZASUJSKUMPXQSB-UHFFFAOYSA-N 2 0 325.497 1.868 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C[C@H]([NH3+])c2cc(C)nc(Cl)c2)C1 ZINC000828956265 594537257 /nfs/dbraw/zinc/53/72/57/594537257.db2.gz LFDBPAIRTLJMNQ-KBPBESRZSA-N 2 0 340.855 1.270 20 0 EDADRP COC(=O)c1nc(CNCc2cnc(N(C)C)n2C)ccc1Cl ZINC000826977475 594615275 /nfs/dbraw/zinc/61/52/75/594615275.db2.gz HRENMASIHVHVPZ-UHFFFAOYSA-N 2 0 337.811 1.611 20 0 EDADRP COC[C@]1(C(=O)Nc2ccc(N3CCC[N@H+](C)CC3)cc2)CC[NH2+]C1 ZINC000827250051 594656292 /nfs/dbraw/zinc/65/62/92/594656292.db2.gz NUEYOSHYHABPNV-IBGZPJMESA-N 2 0 346.475 1.393 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)N[C@@H]2CCC[C@H]2[NH+](C)C)cn1 ZINC000832489638 594754113 /nfs/dbraw/zinc/75/41/13/594754113.db2.gz AAYNAISWXKWARJ-YYIAUSFCSA-N 2 0 333.480 1.054 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[NH2+]Cc1ccc(CC[NH3+])cc1 ZINC000841032080 594842178 /nfs/dbraw/zinc/84/21/78/594842178.db2.gz JMPVKVXFCBGCFF-UHFFFAOYSA-N 2 0 341.455 1.945 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)Nc2cccc(OCC[NH3+])c2)CCSC1 ZINC000841288083 594881817 /nfs/dbraw/zinc/88/18/17/594881817.db2.gz NIIYGQIATOQMHE-MRXNPFEDSA-N 2 0 338.477 1.583 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790280 594953448 /nfs/dbraw/zinc/95/34/48/594953448.db2.gz BNCFFYQQAKNNBS-IRXDYDNUSA-N 2 0 332.448 1.020 20 0 EDADRP [NH3+]CCN(CCO)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000841819719 594958070 /nfs/dbraw/zinc/95/80/70/594958070.db2.gz DQKQRSKLIHZWEO-KRWDZBQOSA-N 2 0 334.464 1.176 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000841847577 594964785 /nfs/dbraw/zinc/96/47/85/594964785.db2.gz TWMPQYPUAVSARI-SUMWQHHRSA-N 2 0 345.443 1.922 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000843266464 595057907 /nfs/dbraw/zinc/05/79/07/595057907.db2.gz MOKWVBLHBPCMDK-INIZCTEOSA-N 2 0 338.496 1.099 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NCCCCCC[NH3+])CCCCC1 ZINC000843266320 595058030 /nfs/dbraw/zinc/05/80/30/595058030.db2.gz YCACBSQDVJHPFC-UHFFFAOYSA-N 2 0 326.485 1.002 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CC(=O)NC2CCCCCCC2)C1 ZINC000843347317 595082125 /nfs/dbraw/zinc/08/21/25/595082125.db2.gz QWNSAJIFNXHDOB-HNNXBMFYSA-N 2 0 338.496 1.002 20 0 EDADRP Cc1ccc2c(C[N@H+](C)CCN3CC[NH2+]CC3)cc(=O)oc2c1C ZINC000843349111 595083065 /nfs/dbraw/zinc/08/30/65/595083065.db2.gz HJEAZOQEZNYUAO-UHFFFAOYSA-N 2 0 329.444 1.747 20 0 EDADRP C[N@H+](CC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1)C1CCC([NH3+])CC1 ZINC000843355386 595085416 /nfs/dbraw/zinc/08/54/16/595085416.db2.gz MORDCHULSNVJMA-DAWZGUTISA-N 2 0 349.450 1.927 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843491018 595128853 /nfs/dbraw/zinc/12/88/53/595128853.db2.gz YLTQYZMNEMDOLU-MJGOQNOKSA-N 2 0 345.487 1.878 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000843495784 595130560 /nfs/dbraw/zinc/13/05/60/595130560.db2.gz VPOUNJKUECTJTD-SJLPKXTDSA-N 2 0 335.423 1.650 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)[C@H](C)C1 ZINC000843800805 595189503 /nfs/dbraw/zinc/18/95/03/595189503.db2.gz WRIPXUPYIYVSCV-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1([NH+](C)C)CC1 ZINC000846264022 595190761 /nfs/dbraw/zinc/19/07/61/595190761.db2.gz MMUDQSQTYJYUQO-ZDUSSCGKSA-N 2 0 342.484 1.042 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170077 595290363 /nfs/dbraw/zinc/29/03/63/595290363.db2.gz GOTAWHPNZWSLAK-QAPCUYQASA-N 2 0 337.508 1.772 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@H]1CCC[NH2+]CC1 ZINC000846664994 595295991 /nfs/dbraw/zinc/29/59/91/595295991.db2.gz CBBVXEWTKDXYOD-WMLDXEAASA-N 2 0 345.443 1.924 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc21 ZINC000844186188 595296639 /nfs/dbraw/zinc/29/66/39/595296639.db2.gz VNHHVCBHIYFFMB-QGZVFWFLSA-N 2 0 344.459 1.910 20 0 EDADRP CC[NH+](CC)CCSCC(=O)Nc1cnn(C2CC[NH2+]CC2)c1 ZINC000844194210 595298871 /nfs/dbraw/zinc/29/88/71/595298871.db2.gz BRWQGJYVDQAWGQ-UHFFFAOYSA-N 2 0 339.509 1.821 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc(C[C@H]3C[NH2+]CCO3)n2)cc1 ZINC000843177718 595299675 /nfs/dbraw/zinc/29/96/75/595299675.db2.gz FBKNLOOMRIHQDL-HNNXBMFYSA-N 2 0 332.404 1.208 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000844218628 595305421 /nfs/dbraw/zinc/30/54/21/595305421.db2.gz YOUDFGOFOLGUMH-UHFFFAOYSA-N 2 0 332.448 1.132 20 0 EDADRP O=C(CN1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N2CCCCC2)cc1 ZINC000844223413 595308095 /nfs/dbraw/zinc/30/80/95/595308095.db2.gz WKIWJSONDBGBCS-IYBDPMFKSA-N 2 0 328.460 1.767 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=S)N1CC[NH+](CCOC)CC1(C)C ZINC000844594569 595362708 /nfs/dbraw/zinc/36/27/08/595362708.db2.gz XXLBYQWOXJFFKS-HNNXBMFYSA-N 2 0 342.553 1.388 20 0 EDADRP COCC[N@@H+]1CCN(C(=S)NCC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000844593414 595362905 /nfs/dbraw/zinc/36/29/05/595362905.db2.gz PWGMYPRSOLCSHN-UHFFFAOYSA-N 2 0 342.553 1.245 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NCCCN2CCC[N@H+](C)CC2)cc1 ZINC000847493133 595433885 /nfs/dbraw/zinc/43/38/85/595433885.db2.gz XYUACORJBHWZTP-UHFFFAOYSA-N 2 0 346.519 1.548 20 0 EDADRP CN1CCN(C(=O)N[C@@H]2CCn3ccnc32)[C@@H](Cc2ccccc2)C1 ZINC000845226909 595464698 /nfs/dbraw/zinc/46/46/98/595464698.db2.gz WSKZAOVANJJVHQ-DLBZAZTESA-N 2 0 339.443 1.896 20 0 EDADRP COCCOCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849067478 595477281 /nfs/dbraw/zinc/47/72/81/595477281.db2.gz HVUHNSCDIVKJMH-UHFFFAOYSA-N 2 0 334.464 1.428 20 0 EDADRP [NH2+]=C(NCCCC[NH+]1CCN(c2ncccn2)CC1)N1CCCCC1 ZINC000849068694 595477389 /nfs/dbraw/zinc/47/73/89/595477389.db2.gz GKBJXEARKPOLDL-UHFFFAOYSA-N 2 0 345.495 1.389 20 0 EDADRP CCc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849072783 595477936 /nfs/dbraw/zinc/47/79/36/595477936.db2.gz GLMGQZYQBJWFPW-OAHLLOKOSA-N 2 0 331.464 1.773 20 0 EDADRP COc1cccc(NC(=[NH2+])NCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000849072889 595478266 /nfs/dbraw/zinc/47/82/66/595478266.db2.gz OVOAHAWCBYPMAU-CYBMUJFWSA-N 2 0 333.436 1.219 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=[NH2+])N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000849096745 595481325 /nfs/dbraw/zinc/48/13/25/595481325.db2.gz PDLMYYMITXZTHC-OAHLLOKOSA-N 2 0 333.455 1.814 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000852793706 595545659 /nfs/dbraw/zinc/54/56/59/595545659.db2.gz DJYLEMLRLMSRJW-UHFFFAOYSA-N 2 0 328.416 1.573 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC(C)(C)C[NH+](C)C)cn1 ZINC000849482436 595547000 /nfs/dbraw/zinc/54/70/00/595547000.db2.gz BHEBAYOWHIDBLD-JKSUJKDBSA-N 2 0 335.496 1.159 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849499487 595551798 /nfs/dbraw/zinc/55/17/98/595551798.db2.gz MQFRESJMNFZFFO-NXHRZFHOSA-N 2 0 347.507 1.304 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+](C)C1CC1 ZINC000849514625 595555418 /nfs/dbraw/zinc/55/54/18/595555418.db2.gz CSHLJLXKBSMATG-COXVUDFISA-N 2 0 333.480 1.054 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000849539835 595559975 /nfs/dbraw/zinc/55/99/75/595559975.db2.gz YCIBLTCROUWEPV-KZNAEPCWSA-N 2 0 349.523 1.548 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852858042 595579931 /nfs/dbraw/zinc/57/99/31/595579931.db2.gz NSZOGIBURGSEAG-KRWDZBQOSA-N 2 0 344.459 1.638 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852858101 595579969 /nfs/dbraw/zinc/57/99/69/595579969.db2.gz PXLSVJPEVSFGGG-CZUORRHYSA-N 2 0 330.432 1.961 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCC2)cn1 ZINC000849583475 595581359 /nfs/dbraw/zinc/58/13/59/595581359.db2.gz UFZRTUSNAHHILA-CVEARBPZSA-N 2 0 333.480 1.056 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)C2=NO[C@@H](C[NH3+])C2)cc1 ZINC000852888411 595600320 /nfs/dbraw/zinc/60/03/20/595600320.db2.gz JVGCEZPALJZMFD-NVXWUHKLSA-N 2 0 346.431 1.052 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858348396 595770830 /nfs/dbraw/zinc/77/08/30/595770830.db2.gz AFOYHEFJTNVCJU-UHFFFAOYSA-N 2 0 346.475 1.392 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000850466000 595839452 /nfs/dbraw/zinc/83/94/52/595839452.db2.gz BCSCZBMCHKJXGW-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584555 596023014 /nfs/dbraw/zinc/02/30/14/596023014.db2.gz MJFHFUCLJVXESQ-ZWKOTPCHSA-N 2 0 335.448 1.326 20 0 EDADRP CCCCCC[C@@](O)(C[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1)C(=O)OC ZINC000852078056 596035765 /nfs/dbraw/zinc/03/57/65/596035765.db2.gz JTAJWPCVDLSROZ-ZWKOTPCHSA-N 2 0 326.481 1.889 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1)[NH+](C)C ZINC000856630500 596039786 /nfs/dbraw/zinc/03/97/86/596039786.db2.gz GGYVOGDZGIUADP-MSOLQXFVSA-N 2 0 348.491 1.853 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000859757131 596187076 /nfs/dbraw/zinc/18/70/76/596187076.db2.gz ZFYPYNZNPBAJHE-HOTGVXAUSA-N 2 0 346.431 1.153 20 0 EDADRP CCCCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000852744746 596237380 /nfs/dbraw/zinc/23/73/80/596237380.db2.gz IKCMOBXMYDEXOZ-IAGOWNOFSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC1 ZINC000866570775 596254347 /nfs/dbraw/zinc/25/43/47/596254347.db2.gz QGEHACKFZGCFDW-HOCLYGCPSA-N 2 0 345.553 1.934 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2c3ccccc3[C@H]([NH3+])C2(C)C)CC1 ZINC000866702228 596300169 /nfs/dbraw/zinc/30/01/69/596300169.db2.gz XYUGUVMILYLVIE-SFHVURJKSA-N 2 0 330.476 1.886 20 0 EDADRP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CN(C(=O)OC(C)(C)C)CCO1 ZINC000862402431 596322061 /nfs/dbraw/zinc/32/20/61/596322061.db2.gz NNPRUSRHFKCUEZ-CAOSSQGBSA-N 2 0 341.496 1.941 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC1 ZINC000870882160 596388479 /nfs/dbraw/zinc/38/84/79/596388479.db2.gz KCJXGZDLIIKKQF-IYARVYRRSA-N 2 0 345.487 1.777 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2CC[C@H]([NH3+])CC2)([NH+]2CCCCC2)CC1 ZINC000870893971 596393227 /nfs/dbraw/zinc/39/32/27/596393227.db2.gz BVOGYONTQOWATJ-QAQDUYKDSA-N 2 0 336.524 1.570 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870915784 596401860 /nfs/dbraw/zinc/40/18/60/596401860.db2.gz SYWJCTJYQKHIGJ-GFCCVEGCSA-N 2 0 328.254 1.905 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NCCc2ccccn2)C[C@H]1C[NH+](C)C ZINC000865245433 596522414 /nfs/dbraw/zinc/52/24/14/596522414.db2.gz KPANBFPPSGSDMB-HZPDHXFCSA-N 2 0 349.548 1.170 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865817917 596696196 /nfs/dbraw/zinc/69/61/96/596696196.db2.gz IYWPRKDJHDLSTE-HOTGVXAUSA-N 2 0 337.489 1.354 20 0 EDADRP CN1CCN(C(=O)/C=C\CN2CCOCC2)C[C@@H]1Cc1ccccc1 ZINC000868156175 596704716 /nfs/dbraw/zinc/70/47/16/596704716.db2.gz BFXUSUSZAOXTKX-ZXYDQQDNSA-N 2 0 343.471 1.260 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2scnc2C(F)F)C[C@H]1C[NH+](C)C ZINC000870016185 596708884 /nfs/dbraw/zinc/70/88/84/596708884.db2.gz FLIBFEZXBRRABY-GHMZBOCLSA-N 2 0 346.447 1.892 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@]2(C)Br)C[C@H]1C[NH+](C)C ZINC000870016039 596708906 /nfs/dbraw/zinc/70/89/06/596708906.db2.gz AYMCTBAHGCETDC-BHPKHCPMSA-N 2 0 346.313 1.358 20 0 EDADRP Cc1ccc2nc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cn2c1 ZINC000870016719 596708957 /nfs/dbraw/zinc/70/89/57/596708957.db2.gz WMOVIYHRUBACHJ-HZPDHXFCSA-N 2 0 343.475 1.454 20 0 EDADRP CCc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000870017495 596709774 /nfs/dbraw/zinc/70/97/74/596709774.db2.gz PCIBKWYDAQEVOD-IAGOWNOFSA-N 2 0 332.492 1.384 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCCCC(=O)C2)C[C@H]1C[NH+](C)C ZINC000870018623 596710895 /nfs/dbraw/zinc/71/08/95/596710895.db2.gz UKPRVUBNXCNZID-BRWVUGGUSA-N 2 0 337.508 1.724 20 0 EDADRP CCN(CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870023272 596713253 /nfs/dbraw/zinc/71/32/53/596713253.db2.gz RBVCXJISWIHJSS-QZTJIDSGSA-N 2 0 346.519 1.711 20 0 EDADRP CCc1nc(C)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000870023036 596713266 /nfs/dbraw/zinc/71/32/66/596713266.db2.gz JOIDPKFMLHECMW-ZIAGYGMSSA-N 2 0 338.521 1.825 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2COc3ccccc3C2)C[C@H]1C[NH+](C)C ZINC000870023856 596714200 /nfs/dbraw/zinc/71/42/00/596714200.db2.gz CUXIJVHYDGFMDO-RCCFBDPRSA-N 2 0 345.487 1.436 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3nccnc3c2)C[C@H]1C[NH+](C)C ZINC000870025046 596714653 /nfs/dbraw/zinc/71/46/53/596714653.db2.gz XVEWDZSJQZCKTQ-HZPDHXFCSA-N 2 0 341.459 1.441 20 0 EDADRP CCCCNc1cc(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc(N)n1 ZINC000866011197 596756933 /nfs/dbraw/zinc/75/69/33/596756933.db2.gz AGQPCBJOGBQUDX-HUUCEWRRSA-N 2 0 349.527 1.446 20 0 EDADRP Cc1ccn2cc(CNC(=O)N3CC[C@H]4[C@@H](CC[N@H+]4C)C3)nc2c1 ZINC000868278255 596760352 /nfs/dbraw/zinc/76/03/52/596760352.db2.gz AJVGIMFLFVTJRL-HOCLYGCPSA-N 2 0 327.432 1.878 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000868289320 596769332 /nfs/dbraw/zinc/76/93/32/596769332.db2.gz JJSFGQWJGUWBOB-UHFFFAOYSA-N 2 0 344.459 1.212 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3cccc(C[NH3+])c3)CC2)CC1 ZINC000868291346 596771107 /nfs/dbraw/zinc/77/11/07/596771107.db2.gz IMGLIPAIJFEOEU-UHFFFAOYSA-N 2 0 344.459 1.418 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCSC1 ZINC000868356518 596798762 /nfs/dbraw/zinc/79/87/62/596798762.db2.gz ZBSLBBQVCWLBKX-YCPHGPKFSA-N 2 0 326.510 1.159 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000868362510 596802581 /nfs/dbraw/zinc/80/25/81/596802581.db2.gz ZYXAVGJDHGTXHF-MRXNPFEDSA-N 2 0 339.528 1.138 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N(C)CCCCCC[NH3+])C[C@@H]1C ZINC000872191031 596828146 /nfs/dbraw/zinc/82/81/46/596828146.db2.gz WRSXALNGSWDGMB-HOTGVXAUSA-N 2 0 340.512 1.295 20 0 EDADRP C[C@@H]1CN(CN2C[C@@H]3CCCCN3C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000872596157 596981096 /nfs/dbraw/zinc/98/10/96/596981096.db2.gz SAZRRZDSQWOBKF-SQNIBIBYSA-N 2 0 349.523 1.192 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000875934419 597040038 /nfs/dbraw/zinc/04/00/38/597040038.db2.gz CKLOLNMYTNQNAX-ARFHVFGLSA-N 2 0 342.553 1.510 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(F)c2ncccc2c1 ZINC000874382535 597049997 /nfs/dbraw/zinc/04/99/97/597049997.db2.gz PNSWNIHGMBDHFU-UHFFFAOYSA-N 2 0 332.423 1.939 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000874432704 597076593 /nfs/dbraw/zinc/07/65/93/597076593.db2.gz PPCLZBQJDTWHLU-KURKYZTESA-N 2 0 328.460 1.797 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[C@@H]3[C@H]2CCC[NH+]3C)cn1 ZINC000874822451 597184444 /nfs/dbraw/zinc/18/44/44/597184444.db2.gz IPEGUPWBOVVWTL-WNRNVDISSA-N 2 0 345.491 1.151 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N(C1CC1)C1CC[NH2+]CC1 ZINC000876507778 597225250 /nfs/dbraw/zinc/22/52/50/597225250.db2.gz NFPTZTZMGUIMER-UHFFFAOYSA-N 2 0 334.489 1.967 20 0 EDADRP CN1CCC([NH+]2CCC(CC[N@H+](C)Cc3cnc(N)cn3)CC2)CC1 ZINC000873209673 597229116 /nfs/dbraw/zinc/22/91/16/597229116.db2.gz RYHDXTPBTBNWPX-UHFFFAOYSA-N 2 0 346.523 1.687 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000876523860 597230231 /nfs/dbraw/zinc/23/02/31/597230231.db2.gz GLTSKECSZCFXAD-JKSUJKDBSA-N 2 0 327.432 1.546 20 0 EDADRP C[C@H](NC[C@@H]1CCC(C)(C)C[NH2+]1)c1ccc(S(N)(=O)=O)cc1 ZINC000873237679 597236080 /nfs/dbraw/zinc/23/60/80/597236080.db2.gz SRCCUYXYTSVTHQ-JSGCOSHPSA-N 2 0 325.478 1.763 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+][C@H]1C[C@H](S(=O)(=O)c2ccccc2)C1 ZINC000873248298 597239608 /nfs/dbraw/zinc/23/96/08/597239608.db2.gz CTMJOKOIUYYQLC-AYIQCDPPSA-N 2 0 338.473 1.333 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000873266096 597243134 /nfs/dbraw/zinc/24/31/34/597243134.db2.gz LOLGSGYUKNVABB-RBUKOAKNSA-N 2 0 335.492 1.539 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)c1 ZINC000873271781 597244291 /nfs/dbraw/zinc/24/42/91/597244291.db2.gz LGYLUZGQPJNVSC-STQMWFEESA-N 2 0 325.478 1.633 20 0 EDADRP OC1(C(F)(F)F)CCC([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000873291341 597249295 /nfs/dbraw/zinc/24/92/95/597249295.db2.gz KARXDKDPPXCQOQ-OWYJLGKBSA-N 2 0 336.398 1.971 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000875072832 597270377 /nfs/dbraw/zinc/27/03/77/597270377.db2.gz CGHXJFNOKPOQAZ-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP COc1cccc([C@H](CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)[NH+](C)C)c1 ZINC000876708972 597297161 /nfs/dbraw/zinc/29/71/61/597297161.db2.gz FUKGGOPNNDPWBL-VWRGOOCTSA-N 2 0 331.460 1.970 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000876716265 597301924 /nfs/dbraw/zinc/30/19/24/597301924.db2.gz WCELPIRZLDOWSG-QWUACUGRSA-N 2 0 327.472 1.929 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2c(C[NH3+])cnn2C)c1 ZINC000876720906 597305103 /nfs/dbraw/zinc/30/51/03/597305103.db2.gz NPLHITGEHCPKRR-UHFFFAOYSA-N 2 0 329.448 1.651 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1c(C[NH3+])cnn1C)c1ccsc1 ZINC000876722545 597305773 /nfs/dbraw/zinc/30/57/73/597305773.db2.gz YAEKMTGEYMKVLS-CQSZACIVSA-N 2 0 335.477 1.753 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1csc(C2CC[NH2+]CC2)n1 ZINC000876729719 597309849 /nfs/dbraw/zinc/30/98/49/597309849.db2.gz VFMIEZPOUDGBBG-HIFRSBDPSA-N 2 0 334.489 1.967 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000876731281 597310439 /nfs/dbraw/zinc/31/04/39/597310439.db2.gz PONLFWWGESUFIX-AWEZNQCLSA-N 2 0 336.505 1.989 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876767451 597330947 /nfs/dbraw/zinc/33/09/47/597330947.db2.gz JTKNYJHEKOLNOD-UBDQQSCGSA-N 2 0 333.451 1.961 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000876780021 597337995 /nfs/dbraw/zinc/33/79/95/597337995.db2.gz ASHQPHGDJZRDBO-BZSNNMDCSA-N 2 0 348.466 1.039 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)([NH+]2CCCCC2)CC1 ZINC000876784823 597339498 /nfs/dbraw/zinc/33/94/98/597339498.db2.gz KZZZRRZNWQHDBE-JKSUJKDBSA-N 2 0 336.524 1.426 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000876888776 597370575 /nfs/dbraw/zinc/37/05/75/597370575.db2.gz GEFGWDLKPRJSFU-VOFKWLDRSA-N 2 0 349.519 1.893 20 0 EDADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000876889925 597370978 /nfs/dbraw/zinc/37/09/78/597370978.db2.gz RGBWHOPXBQVDEA-DLBZAZTESA-N 2 0 341.471 1.285 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccncc2)C[C@H]1C[NH+](C)C ZINC000875384757 597408896 /nfs/dbraw/zinc/40/88/96/597408896.db2.gz PITUMFNVOGCVGS-IAGOWNOFSA-N 2 0 333.480 1.005 20 0 EDADRP CC[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[C@@H]1CCCO1 ZINC000875425285 597423446 /nfs/dbraw/zinc/42/34/46/597423446.db2.gz NTLLRWBXGFXBEI-VQHPVUNQSA-N 2 0 340.512 1.325 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000877136483 597440314 /nfs/dbraw/zinc/44/03/14/597440314.db2.gz GHUXULJQYPBIDE-JKSUJKDBSA-N 2 0 325.416 1.415 20 0 EDADRP COc1cccc(NCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000877144427 597442095 /nfs/dbraw/zinc/44/20/95/597442095.db2.gz MGDHIYBJPYEIEN-HZPDHXFCSA-N 2 0 348.491 1.305 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875523728 597464344 /nfs/dbraw/zinc/46/43/44/597464344.db2.gz HHXOIDRJLSHPSC-UHFFFAOYSA-N 2 0 346.475 1.092 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@H]2CCO[C@H]2C[NH3+])(c2ccccc2)CC1 ZINC000877224904 597466862 /nfs/dbraw/zinc/46/68/62/597466862.db2.gz PAQIBJCKTAOYFY-IRXDYDNUSA-N 2 0 331.460 1.130 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C[C@H]2[NH3+])cc1 ZINC000877235198 597473016 /nfs/dbraw/zinc/47/30/16/597473016.db2.gz AGTMGMFNMLNLKI-XXQMMXQMSA-N 2 0 343.471 1.869 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000877248986 597478944 /nfs/dbraw/zinc/47/89/44/597478944.db2.gz SJGHOJPOVOKHHT-GGPKGHCWSA-N 2 0 345.487 1.924 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877386004 597507231 /nfs/dbraw/zinc/50/72/31/597507231.db2.gz SAMSBVVBZNZBIT-SUMWQHHRSA-N 2 0 334.489 1.933 20 0 EDADRP O=C(N[C@H]1CCCCC12CC[NH2+]CC2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000877407268 597511200 /nfs/dbraw/zinc/51/12/00/597511200.db2.gz PIHMTSYAESTYMO-HOCLYGCPSA-N 2 0 346.479 1.245 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)c(F)c(F)c2)CC1 ZINC000877642477 597543510 /nfs/dbraw/zinc/54/35/10/597543510.db2.gz MBRSAYVLPGPRDU-OAHLLOKOSA-N 2 0 346.393 1.962 20 0 EDADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@@H](O)c1ccccc1 ZINC000878597638 597649552 /nfs/dbraw/zinc/64/95/52/597649552.db2.gz PYJYISUYTLXGMP-OALUTQOASA-N 2 0 333.476 1.545 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](C[C@@H](O)CC3(CO)CCCC3)CC2)CC1 ZINC000879594404 597649764 /nfs/dbraw/zinc/64/97/64/597649764.db2.gz HZCFSQSXDLXROE-SFHVURJKSA-N 2 0 339.524 1.002 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2nccn2CC(F)F)CC1 ZINC000878689540 597680166 /nfs/dbraw/zinc/68/01/66/597680166.db2.gz JRLVLIHUQYESDY-UHFFFAOYSA-N 2 0 329.439 1.654 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](COC)[C@H]2CCCOC2)CC1 ZINC000883185838 597680503 /nfs/dbraw/zinc/68/05/03/597680503.db2.gz FRBGTFURXZCRKT-FGTMMUONSA-N 2 0 327.513 1.291 20 0 EDADRP CC(C)C[N@H+](C[C@H](O)COC1CCOCC1)CC1CC[NH+](C)CC1 ZINC000879704894 597695872 /nfs/dbraw/zinc/69/58/72/597695872.db2.gz XCXSINBWSXSJGC-SFHVURJKSA-N 2 0 342.524 1.843 20 0 EDADRP COC(=O)C1=C(C)O[C@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000878746335 597698083 /nfs/dbraw/zinc/69/80/83/597698083.db2.gz ATDGSOIOMPRIOY-INIZCTEOSA-N 2 0 331.416 1.830 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878825675 597725252 /nfs/dbraw/zinc/72/52/52/597725252.db2.gz KQFQIMWAANVEHU-HZSPNIEDSA-N 2 0 329.485 1.580 20 0 EDADRP COC(=O)c1ccc(OC)c(C[NH+]2CCC(OCCC[NH3+])CC2)c1 ZINC000883418215 597739901 /nfs/dbraw/zinc/73/99/01/597739901.db2.gz AWWJWJLBAVBPLC-UHFFFAOYSA-N 2 0 336.432 1.812 20 0 EDADRP COCC[N@H+](CCC(=O)N1CCCCC1)CC1CC[NH+](C)CC1 ZINC000879123396 597826414 /nfs/dbraw/zinc/82/64/14/597826414.db2.gz GVZOKCBSPFDXCH-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])CC1 ZINC000883642254 597843631 /nfs/dbraw/zinc/84/36/31/597843631.db2.gz HJBVVRVPWBZAOV-HNNXBMFYSA-N 2 0 338.496 1.049 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000883641976 597843650 /nfs/dbraw/zinc/84/36/50/597843650.db2.gz ADZODRVRWJMOHB-UHFFFAOYSA-N 2 0 338.496 1.051 20 0 EDADRP CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000879327489 597887794 /nfs/dbraw/zinc/88/77/94/597887794.db2.gz VYBIRLDKFUADHM-NXHRZFHOSA-N 2 0 333.476 1.905 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@H]([NH3+])c2ccccc2OC)c1 ZINC000884010543 597967825 /nfs/dbraw/zinc/96/78/25/597967825.db2.gz FRZWIELBKSZQDK-KRWDZBQOSA-N 2 0 343.427 1.723 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000884037688 597974387 /nfs/dbraw/zinc/97/43/87/597974387.db2.gz JVZGWCMTZADNBI-UHFFFAOYSA-N 2 0 343.475 1.095 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000884199599 598025680 /nfs/dbraw/zinc/02/56/80/598025680.db2.gz DWVSIKJDAOKVMN-MRXNPFEDSA-N 2 0 326.529 1.386 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884202359 598026997 /nfs/dbraw/zinc/02/69/97/598026997.db2.gz XBHNZDKYKVMIKI-ZWNOBZJWSA-N 2 0 328.254 1.905 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000884239120 598039342 /nfs/dbraw/zinc/03/93/42/598039342.db2.gz NMTUFDSGOIYTQP-QGZVFWFLSA-N 2 0 331.460 1.889 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884312833 598062800 /nfs/dbraw/zinc/06/28/00/598062800.db2.gz PBIKHVFZQWKHLI-HNNXBMFYSA-N 2 0 333.480 1.341 20 0 EDADRP Cn1nc2c(c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)CSCC2 ZINC000882886702 598096061 /nfs/dbraw/zinc/09/60/61/598096061.db2.gz IBKBPKHCFSNVHM-UHFFFAOYSA-N 2 0 337.537 1.325 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000884463784 598112518 /nfs/dbraw/zinc/11/25/18/598112518.db2.gz QXWWFGTUEOBMLB-SFHVURJKSA-N 2 0 333.476 1.769 20 0 EDADRP COc1cc2c(NCC[N@H+](C)CCOCCO)cc[nH+]c2cc1F ZINC000882951513 598113561 /nfs/dbraw/zinc/11/35/61/598113561.db2.gz IOWICWCRMBXMNF-UHFFFAOYSA-N 2 0 337.395 1.735 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)CCCC(C)(F)F ZINC000914059941 695047233 /nfs/dbraw/zinc/04/72/33/695047233.db2.gz WXKKOHUXNOXHOW-UHFFFAOYSA-N 2 0 329.457 1.177 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2csnn2)C1)C12CCC[NH+]1CCC2 ZINC000995017562 699983706 /nfs/dbraw/zinc/98/37/06/699983706.db2.gz WACLDNQISAXODY-UONOGXRCSA-N 2 0 349.504 1.541 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(S(=O)(=O)C[C@@]34CC[NH+](C3)CCC4)CC[C@H]21 ZINC000914258858 695312697 /nfs/dbraw/zinc/31/26/97/695312697.db2.gz GFNKUBAVVXMOLU-BBWFWOEESA-N 2 0 341.521 1.218 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC000992908645 695444990 /nfs/dbraw/zinc/44/49/90/695444990.db2.gz PYBYZPIZQWSTQN-CGTJXYLNSA-N 2 0 345.491 1.233 20 0 EDADRP Cc1conc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992925117 695456758 /nfs/dbraw/zinc/45/67/58/695456758.db2.gz ZVWLNFXPMBSRFA-IXDOHACOSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC2C[NH+](C[C@H]3CCO[C@H](C)C3)C2)CC1 ZINC001031188137 695709010 /nfs/dbraw/zinc/70/90/10/695709010.db2.gz CLBAEMQFHQCHGV-CVEARBPZSA-N 2 0 337.508 1.722 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993575600 696229696 /nfs/dbraw/zinc/22/96/96/696229696.db2.gz OGLZTQAOGPFXAV-GOEBONIOSA-N 2 0 343.431 1.496 20 0 EDADRP Cc1nccnc1CN1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993758969 696352212 /nfs/dbraw/zinc/35/22/12/696352212.db2.gz JULDVEHCCZEXMD-DOTOQJQBSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC1CCOCC1 ZINC000993760836 696353542 /nfs/dbraw/zinc/35/35/42/696353542.db2.gz NUUNOCHGAIFFBI-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CCC[N@@H+]1CCCO ZINC000993800677 696377728 /nfs/dbraw/zinc/37/77/28/696377728.db2.gz AGFWXBCYLZACGI-APWZRJJASA-N 2 0 347.503 1.756 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CCCN1Cc1ccn(C)n1 ZINC000993926560 696446429 /nfs/dbraw/zinc/44/64/29/696446429.db2.gz JKYKSKTXDNNQKD-QAPCUYQASA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCOC1CCC1 ZINC000994250102 696642207 /nfs/dbraw/zinc/64/22/07/696642207.db2.gz IKRQGDJFSDWDSW-DOTOQJQBSA-N 2 0 335.492 1.620 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2C)[C@H](C)C1 ZINC000919050438 697236719 /nfs/dbraw/zinc/23/67/19/697236719.db2.gz IOSVDNGOIDPBCX-PMPSAXMXSA-N 2 0 326.485 1.127 20 0 EDADRP CCO[C@@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)C[NH+](C)C ZINC000919528616 697295221 /nfs/dbraw/zinc/29/52/21/697295221.db2.gz NFNZJFNFKHPNPF-HOTGVXAUSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=S)NC1CC[NH+](C)CC1 ZINC000920312175 697422082 /nfs/dbraw/zinc/42/20/82/697422082.db2.gz XBSMZAWNLGHFJH-RBSFLKMASA-N 2 0 326.554 1.911 20 0 EDADRP COC[C@@H](C)[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001031672794 697480753 /nfs/dbraw/zinc/48/07/53/697480753.db2.gz OZXTUAMCJVQUJQ-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688443 697522772 /nfs/dbraw/zinc/52/27/72/697522772.db2.gz GEGOSCMIGGDVTC-MSOLQXFVSA-N 2 0 347.503 1.478 20 0 EDADRP Cc1ncoc1CN1CC(CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001031707171 697699982 /nfs/dbraw/zinc/69/99/82/697699982.db2.gz QNMHDDVBPQUGHI-UHFFFAOYSA-N 2 0 348.472 1.968 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2cncc(C)c2)C1 ZINC001031710956 697715622 /nfs/dbraw/zinc/71/56/22/697715622.db2.gz ARXPHSJCNQZJNU-SFHVURJKSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@]1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CCC[NH2+]C1 ZINC000237622756 698229105 /nfs/dbraw/zinc/22/91/05/698229105.db2.gz NDJRDCLIHIUCOC-IBGZPJMESA-N 2 0 345.443 1.924 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940108220 700220629 /nfs/dbraw/zinc/22/06/29/700220629.db2.gz AZGIUDIURHQRPA-QGZVFWFLSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940108508 700220846 /nfs/dbraw/zinc/22/08/46/700220846.db2.gz FGEKJVJDPSQYRC-QGZVFWFLSA-N 2 0 347.507 1.764 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000940120334 700253613 /nfs/dbraw/zinc/25/36/13/700253613.db2.gz NFXMCSXITDRQQO-NVXWUHKLSA-N 2 0 330.476 1.893 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054506 699114780 /nfs/dbraw/zinc/11/47/80/699114780.db2.gz KDWXZZBYRAVQBO-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC001031776616 699151438 /nfs/dbraw/zinc/15/14/38/699151438.db2.gz KYQICVOVIWTPOO-SFHVURJKSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939133481 699218129 /nfs/dbraw/zinc/21/81/29/699218129.db2.gz RNNAHWCOLMOTJP-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941602846 701593309 /nfs/dbraw/zinc/59/33/09/701593309.db2.gz BBORUYCTBWKKLB-FUHWJXTLSA-N 2 0 334.508 1.240 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C[C@H]1[NH2+]CCC1CC1 ZINC000939294425 699481460 /nfs/dbraw/zinc/48/14/60/699481460.db2.gz ZNHZJWSCFDTFDS-RHSMWYFYSA-N 2 0 333.480 1.295 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)C23CCC[NH+]2CCC3)C1)C1CCC1 ZINC001031812419 699497323 /nfs/dbraw/zinc/49/73/23/699497323.db2.gz BOEOELWBLTWTCN-QGZVFWFLSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939399099 699548150 /nfs/dbraw/zinc/54/81/50/699548150.db2.gz VUYKKIDUGIJILI-GOEBONIOSA-N 2 0 336.505 1.812 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCN(C3C[NH+](CC4CC4)C3)CC2)CC1 ZINC000941627882 701599445 /nfs/dbraw/zinc/59/94/45/701599445.db2.gz NCEVVNZPBCCUII-UHFFFAOYSA-N 2 0 348.535 1.345 20 0 EDADRP CCC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](CC4CC4)CC3)CC2)C1 ZINC000941634862 701601383 /nfs/dbraw/zinc/60/13/83/701601383.db2.gz LHPPCRBNPQDHDI-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cscn2)C1)C12CC[NH+](CC1)C2 ZINC000995164483 701602569 /nfs/dbraw/zinc/60/25/69/701602569.db2.gz ACVVYBIGMXDZBJ-KBPBESRZSA-N 2 0 334.489 1.613 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995164522 701603425 /nfs/dbraw/zinc/60/34/25/701603425.db2.gz AKOACTMGBKVGFZ-HOTGVXAUSA-N 2 0 346.475 1.762 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000939549757 699683352 /nfs/dbraw/zinc/68/33/52/699683352.db2.gz CLZBAHOATZUHCY-PBHICJAKSA-N 2 0 346.475 1.624 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC000941677414 701615917 /nfs/dbraw/zinc/61/59/17/701615917.db2.gz PYMRBTUBMHDVOH-UHFFFAOYSA-N 2 0 336.524 1.491 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165940 701614465 /nfs/dbraw/zinc/61/44/65/701614465.db2.gz FLBYLZORWJOAQL-IAGOWNOFSA-N 2 0 342.487 1.860 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939752840 699902125 /nfs/dbraw/zinc/90/21/25/699902125.db2.gz AQGLKJWBJVGITR-VQIMIIECSA-N 2 0 344.503 1.785 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939757004 699923941 /nfs/dbraw/zinc/92/39/41/699923941.db2.gz WKUZWFSBHMQROO-HIFRSBDPSA-N 2 0 336.867 1.767 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1)c1ccc2c[nH+]cn2c1 ZINC001031850662 699945357 /nfs/dbraw/zinc/94/53/57/699945357.db2.gz JMPFXFRBHXTOEN-QFBILLFUSA-N 2 0 340.427 1.423 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2nncs2)C1)C12CCC[NH+]1CCC2 ZINC000995013011 699962254 /nfs/dbraw/zinc/96/22/54/699962254.db2.gz HBUYQYDCYJNCTE-KBPBESRZSA-N 2 0 349.504 1.541 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940148678 700281731 /nfs/dbraw/zinc/28/17/31/700281731.db2.gz CMPKESKSSKFDMH-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000940149409 700282345 /nfs/dbraw/zinc/28/23/45/700282345.db2.gz LAGJSHSBWAAKHY-KRWDZBQOSA-N 2 0 345.491 1.596 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cncs2)CC1)C1CC1 ZINC000940149660 700282650 /nfs/dbraw/zinc/28/26/50/700282650.db2.gz NNOGNKVDJJJHIF-HNNXBMFYSA-N 2 0 336.505 1.954 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000940149913 700282993 /nfs/dbraw/zinc/28/29/93/700282993.db2.gz RKTNOGROFDUNLT-MRXNPFEDSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000940149873 700283156 /nfs/dbraw/zinc/28/31/56/700283156.db2.gz PRDCDGUAFOZKPQ-KRWDZBQOSA-N 2 0 347.507 1.539 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1)C1CCC1 ZINC000940153954 700283572 /nfs/dbraw/zinc/28/35/72/700283572.db2.gz HWYWKWZOURCAEP-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CCc1nc(CNC2(C)CCN(C(=O)C[N@H+](C)C3CCC3)CC2)no1 ZINC000940154272 700284009 /nfs/dbraw/zinc/28/40/09/700284009.db2.gz SLUXRZTWHXIBRH-UHFFFAOYSA-N 2 0 349.479 1.587 20 0 EDADRP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000940232183 700397803 /nfs/dbraw/zinc/39/78/03/700397803.db2.gz OQGCEFVSJYORRM-AEFFLSMTSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)o1 ZINC000940248502 700412961 /nfs/dbraw/zinc/41/29/61/700412961.db2.gz YYDBTGZVKUOXBA-UHFFFAOYSA-N 2 0 349.479 1.723 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)CC1 ZINC000940296055 700467814 /nfs/dbraw/zinc/46/78/14/700467814.db2.gz DTQOGJFVGFLMCV-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296403 700468410 /nfs/dbraw/zinc/46/84/10/700468410.db2.gz JOHXCBHMUUIZGI-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000940327984 700505725 /nfs/dbraw/zinc/50/57/25/700505725.db2.gz BTLKOQUIVVJROP-CQSZACIVSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3nccs3)CC2)C1 ZINC000940328030 700505757 /nfs/dbraw/zinc/50/57/57/700505757.db2.gz CQRMCIQWDHNTCC-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC000940328566 700507104 /nfs/dbraw/zinc/50/71/04/700507104.db2.gz KSOHFLUNPDUGPO-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940329582 700509032 /nfs/dbraw/zinc/50/90/32/700509032.db2.gz VRWLUQHJRGPTNI-GUYCJALGSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C)([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000940329514 700509042 /nfs/dbraw/zinc/50/90/42/700509042.db2.gz UXDFIODDABVONY-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000940329710 700509498 /nfs/dbraw/zinc/50/94/98/700509498.db2.gz XSFFXIOANWGEBZ-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC000995067656 700529735 /nfs/dbraw/zinc/52/97/35/700529735.db2.gz ADFUZGDWUMJMEO-WBVHZDCISA-N 2 0 345.491 1.501 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000940365117 700545742 /nfs/dbraw/zinc/54/57/42/700545742.db2.gz AQFAITXROPVXLK-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC(C)([NH2+]CC3CC3)CC2)cn1 ZINC000940373804 700556293 /nfs/dbraw/zinc/55/62/93/700556293.db2.gz MQKFELJCMZBDJR-UHFFFAOYSA-N 2 0 333.480 1.439 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000940426008 700619247 /nfs/dbraw/zinc/61/92/47/700619247.db2.gz BIPSSXDVCPWNPC-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP CC(C)c1nc(CNC2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)no1 ZINC000940457445 700660847 /nfs/dbraw/zinc/66/08/47/700660847.db2.gz GIFSOGPTFQPRIX-AWEZNQCLSA-N 2 0 349.479 1.615 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940461521 700664653 /nfs/dbraw/zinc/66/46/53/700664653.db2.gz FPGQDXSXLOPQAL-UHFFFAOYSA-N 2 0 334.464 1.858 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)on1 ZINC000995082027 700700496 /nfs/dbraw/zinc/70/04/96/700700496.db2.gz XBIICOWYSOVILS-HOCLYGCPSA-N 2 0 334.464 1.699 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000940857761 700956160 /nfs/dbraw/zinc/95/61/60/700956160.db2.gz CRGDAZSUHOYVNI-IRXDYDNUSA-N 2 0 339.524 1.706 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](C[C@@H](CC)OC)C2)C1 ZINC001031919223 701044437 /nfs/dbraw/zinc/04/44/37/701044437.db2.gz OZXWLAOEDYPHSK-DLBZAZTESA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](Cc3ccccc3)C2)C1 ZINC001031921440 701062552 /nfs/dbraw/zinc/06/25/52/701062552.db2.gz NYEVFOUBSFPUET-SFHVURJKSA-N 2 0 331.460 1.344 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995116643 701064182 /nfs/dbraw/zinc/06/41/82/701064182.db2.gz XRZXMVLSFLVRER-JKSUJKDBSA-N 2 0 349.479 1.484 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091761 701135622 /nfs/dbraw/zinc/13/56/22/701135622.db2.gz ZOFVTOBUXDLLRM-INIZCTEOSA-N 2 0 335.496 1.683 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999167520 706594428 /nfs/dbraw/zinc/59/44/28/706594428.db2.gz GBUICKOQGRIVBB-DAWZGUTISA-N 2 0 345.491 1.374 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999168581 706596784 /nfs/dbraw/zinc/59/67/84/706596784.db2.gz GXECXHHAPQHVDU-HOTGVXAUSA-N 2 0 348.516 1.874 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cnccc2N(C)C)C(C)(C)C1 ZINC000941168156 701379139 /nfs/dbraw/zinc/37/91/39/701379139.db2.gz ASAPYDBNMRVNPC-INIZCTEOSA-N 2 0 334.464 1.624 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[NH+](Cc3ccccn3)CC2(C)C)C1 ZINC000941218110 701393286 /nfs/dbraw/zinc/39/32/86/701393286.db2.gz VNTUPOQDBKVTLX-WBVHZDCISA-N 2 0 330.476 1.750 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000995130675 701395058 /nfs/dbraw/zinc/39/50/58/701395058.db2.gz CUMVBPXEMHUCCN-AEFFLSMTSA-N 2 0 347.507 1.527 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CCN(Cc2ncccn2)CC1(C)C ZINC000941224721 701414523 /nfs/dbraw/zinc/41/45/23/701414523.db2.gz XWRVYRINGWTKCK-OAHLLOKOSA-N 2 0 342.447 1.398 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999170702 706600081 /nfs/dbraw/zinc/60/00/81/706600081.db2.gz RKVVWABCEZIERF-IAGOWNOFSA-N 2 0 332.448 1.405 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941344096 701480318 /nfs/dbraw/zinc/48/03/18/701480318.db2.gz CAAOMUGTEGTUDR-SFHVURJKSA-N 2 0 334.508 1.099 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)CC2)C1 ZINC000941431581 701538183 /nfs/dbraw/zinc/53/81/83/701538183.db2.gz PBLIGCIYJMOHIK-GOSISDBHSA-N 2 0 336.524 1.489 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)C1 ZINC000941438313 701540943 /nfs/dbraw/zinc/54/09/43/701540943.db2.gz PTANVGNRSVTHNS-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CC2)C1 ZINC000941456911 701543279 /nfs/dbraw/zinc/54/32/79/701543279.db2.gz VSNARCMGWOYLCM-HKUYNNGSSA-N 2 0 348.535 1.488 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1C ZINC001032130291 701840695 /nfs/dbraw/zinc/84/06/95/701840695.db2.gz JLVZJRXMWCIHAF-UHFFFAOYSA-N 2 0 327.472 1.947 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2cncs2)C1 ZINC000999176547 706618584 /nfs/dbraw/zinc/61/85/84/706618584.db2.gz WTTHOESQMZYWSL-GDBMZVCRSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995822086 702091429 /nfs/dbraw/zinc/09/14/29/702091429.db2.gz JQWSAWKJAFZYEL-IAGOWNOFSA-N 2 0 346.475 1.651 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1[NH2+]CCO ZINC000995823235 702092884 /nfs/dbraw/zinc/09/28/84/702092884.db2.gz NRYULXMCALGQNI-NVXWUHKLSA-N 2 0 337.508 1.460 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825936 702098869 /nfs/dbraw/zinc/09/88/69/702098869.db2.gz UNFNBFNCFKZGNA-IAGOWNOFSA-N 2 0 345.491 1.089 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](NCc3nnc(C)o3)C(C)(C)C2)CC[N@@H+]1C ZINC000995841133 702121553 /nfs/dbraw/zinc/12/15/53/702121553.db2.gz PLNIQLLPVAKLGB-RRFJBIMHSA-N 2 0 349.479 1.435 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC000995894797 702197459 /nfs/dbraw/zinc/19/74/59/702197459.db2.gz KWWAPQCHDHQZMQ-INIZCTEOSA-N 2 0 347.507 1.539 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)on1 ZINC000995926362 702254034 /nfs/dbraw/zinc/25/40/34/702254034.db2.gz MZCIHHGUZJQRLZ-CVEARBPZSA-N 2 0 336.480 1.896 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)C[N@@H+](C)C3CCC3)CC2(C)C)cn1 ZINC000995915795 702276637 /nfs/dbraw/zinc/27/66/37/702276637.db2.gz GTXFMWVORZQXJG-KRWDZBQOSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@H]1C[N@H+](CC2CC(F)(F)C2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944168218 702407850 /nfs/dbraw/zinc/40/78/50/702407850.db2.gz HQRSQFRPFXNARD-ZFWWWQNUSA-N 2 0 341.446 1.954 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)ncn1 ZINC000944168871 702409429 /nfs/dbraw/zinc/40/94/29/702409429.db2.gz LGPGTEGJGLVJFO-RHSMWYFYSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC000999225611 706683869 /nfs/dbraw/zinc/68/38/69/706683869.db2.gz YATGKBKPWFHGFH-UHFFFAOYSA-N 2 0 334.464 1.936 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)CC1 ZINC000996249450 702651634 /nfs/dbraw/zinc/65/16/34/702651634.db2.gz PPQNVVVGXWMLPH-QGZVFWFLSA-N 2 0 348.466 1.889 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995207340 702664313 /nfs/dbraw/zinc/66/43/13/702664313.db2.gz DOVNOOYIRZWHNF-HZPDHXFCSA-N 2 0 333.480 1.373 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208695 702679438 /nfs/dbraw/zinc/67/94/38/702679438.db2.gz ILDCFZXIVAVUOL-JKSUJKDBSA-N 2 0 331.464 1.255 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000996293106 702685310 /nfs/dbraw/zinc/68/53/10/702685310.db2.gz BICJPBYRPGRSQG-JKSUJKDBSA-N 2 0 333.480 1.194 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2(C)C)ncn1 ZINC000996300928 702692733 /nfs/dbraw/zinc/69/27/33/702692733.db2.gz PFXAVQGYIMRBQU-DOTOQJQBSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996302759 702694859 /nfs/dbraw/zinc/69/48/59/702694859.db2.gz YWJRLPHSYOAYCP-RHSMWYFYSA-N 2 0 348.466 1.889 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCc2cnn(CC)c2)C(C)(C)C1)[NH+](C)C ZINC000996315053 702703276 /nfs/dbraw/zinc/70/32/76/702703276.db2.gz LXTPXFCQBHXOMM-DLBZAZTESA-N 2 0 349.523 1.612 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)CC3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996386495 702750216 /nfs/dbraw/zinc/75/02/16/702750216.db2.gz PFBYJKDZFIQWQM-KRWDZBQOSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2cnccn2)CC1 ZINC000996465543 702792737 /nfs/dbraw/zinc/79/27/37/702792737.db2.gz VGYWXOGLVTXUQR-CRAIPNDOSA-N 2 0 345.491 1.991 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000996479065 702810583 /nfs/dbraw/zinc/81/05/83/702810583.db2.gz VJWXNDHFLMETDX-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518231 702853928 /nfs/dbraw/zinc/85/39/28/702853928.db2.gz INVWPJGBFSYSRF-RDJZCZTQSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518601 702854267 /nfs/dbraw/zinc/85/42/67/702854267.db2.gz LXLGVSYJCFZKAA-RDJZCZTQSA-N 2 0 347.507 1.397 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000996520175 702856212 /nfs/dbraw/zinc/85/62/12/702856212.db2.gz NWOREAOLLCXKSS-INIZCTEOSA-N 2 0 328.460 1.504 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000996559134 702873601 /nfs/dbraw/zinc/87/36/01/702873601.db2.gz BDRAHIKQZMXHRW-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)[nH]1 ZINC000996561502 702875611 /nfs/dbraw/zinc/87/56/11/702875611.db2.gz PTNFQPXFJLDLNR-WBMJQRKESA-N 2 0 346.479 1.097 20 0 EDADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C)c1cnccn1 ZINC000996611627 702917081 /nfs/dbraw/zinc/91/70/81/702917081.db2.gz NDMNJFCEXJFTFG-GOEBONIOSA-N 2 0 331.464 1.460 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)ncn1 ZINC000996615925 702923508 /nfs/dbraw/zinc/92/35/08/702923508.db2.gz RXIKIVRVOYROTB-HOCLYGCPSA-N 2 0 331.464 1.063 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@H](C)C1 ZINC000942446006 702941996 /nfs/dbraw/zinc/94/19/96/702941996.db2.gz ZOMBRGJUAPBURN-GDBMZVCRSA-N 2 0 343.431 1.354 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]C[C@H]3CCOC3)CC2)C1 ZINC000996661323 702958545 /nfs/dbraw/zinc/95/85/45/702958545.db2.gz WVZJFLKBZHZQMU-IAGOWNOFSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1ccc(CC[NH+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001032313258 702960372 /nfs/dbraw/zinc/96/03/72/702960372.db2.gz HAXFQELWLZDPBS-GBESFXJTSA-N 2 0 327.472 1.917 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996667341 702964435 /nfs/dbraw/zinc/96/44/35/702964435.db2.gz AJZUUKJWYUDQSH-KRWDZBQOSA-N 2 0 345.491 1.820 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000996672599 702973782 /nfs/dbraw/zinc/97/37/82/702973782.db2.gz RTZVPAFZZBZNCA-UHFFFAOYSA-N 2 0 330.476 1.955 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+][C@@H](C)c2csnn2)CC1)[NH+](C)C ZINC000996713385 703008633 /nfs/dbraw/zinc/00/86/33/703008633.db2.gz UNVUTWDATPFOEA-SMDDNHRTSA-N 2 0 325.482 1.520 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)c(C)o1 ZINC000996717471 703010867 /nfs/dbraw/zinc/01/08/67/703010867.db2.gz ANUGXOHDYUWQGV-KRWDZBQOSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000996717691 703011185 /nfs/dbraw/zinc/01/11/85/703011185.db2.gz BVCJVJYVLCSWCH-MRXNPFEDSA-N 2 0 331.464 1.350 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cnns2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996725153 703019608 /nfs/dbraw/zinc/01/96/08/703019608.db2.gz FCXJYJBKTHJJRU-UHFFFAOYSA-N 2 0 349.504 1.495 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996755119 703043807 /nfs/dbraw/zinc/04/38/07/703043807.db2.gz APZTYJBOOQPAMS-MRXNPFEDSA-N 2 0 348.495 1.016 20 0 EDADRP O=C([C@@H]1CCc2cncn2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996760143 703048461 /nfs/dbraw/zinc/04/84/61/703048461.db2.gz SQJWVROSOFVTMN-CYBMUJFWSA-N 2 0 329.404 1.214 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000996761570 703049865 /nfs/dbraw/zinc/04/98/65/703049865.db2.gz HYENMBPTNTWHPH-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@H]1CN(Cc2cnns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596600 703110766 /nfs/dbraw/zinc/11/07/66/703110766.db2.gz CPQRXFAODMVAEM-SWLSCSKDSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1ccnc(CN2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000942596610 703110789 /nfs/dbraw/zinc/11/07/89/703110789.db2.gz CVHJODJMMBGLEJ-PBHICJAKSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597977 703112841 /nfs/dbraw/zinc/11/28/41/703112841.db2.gz PCNWOWLPICFSQL-WMLDXEAASA-N 2 0 333.480 1.089 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942598396 703113429 /nfs/dbraw/zinc/11/34/29/703113429.db2.gz WYBYWZUVICXZTA-UGSOOPFHSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CN(C)CCO1 ZINC001032332929 703117928 /nfs/dbraw/zinc/11/79/28/703117928.db2.gz GKZHQLVNVCVNQW-LNLFQRSKSA-N 2 0 343.471 1.419 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)o1 ZINC000996860409 703143869 /nfs/dbraw/zinc/14/38/69/703143869.db2.gz UUHMHRNYJPZDHR-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000996931787 703197821 /nfs/dbraw/zinc/19/78/21/703197821.db2.gz ASRFYIJNABYETN-HNNXBMFYSA-N 2 0 349.475 1.962 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996942592 703211821 /nfs/dbraw/zinc/21/18/21/703211821.db2.gz CZPYBUJOESDMJD-UHFFFAOYSA-N 2 0 348.495 1.029 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1 ZINC000996946986 703216568 /nfs/dbraw/zinc/21/65/68/703216568.db2.gz QVRHOCLUXJRNHF-UHFFFAOYSA-N 2 0 348.495 1.281 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)oc1C ZINC000997006323 703263594 /nfs/dbraw/zinc/26/35/94/703263594.db2.gz KUUYVJSIZQXOOY-ZDUSSCGKSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1 ZINC000997007234 703264371 /nfs/dbraw/zinc/26/43/71/703264371.db2.gz IZLDLJXOECGVJP-CXAGYDPISA-N 2 0 346.475 1.830 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]CC3CC(F)(F)C3)CC2)C1 ZINC000997007320 703264740 /nfs/dbraw/zinc/26/47/40/703264740.db2.gz QCFDTBAIHRJERL-CYBMUJFWSA-N 2 0 329.435 1.954 20 0 EDADRP O=C(C1CC[NH+](CC2CC2)CC1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000997165460 703456656 /nfs/dbraw/zinc/45/66/56/703456656.db2.gz DUAHYXTWGDJYHT-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997183294 703468548 /nfs/dbraw/zinc/46/85/48/703468548.db2.gz JKCAZCVOPUQMSC-GOEBONIOSA-N 2 0 349.479 1.579 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997187339 703476862 /nfs/dbraw/zinc/47/68/62/703476862.db2.gz XUEYUIHITVAENJ-OAHLLOKOSA-N 2 0 333.480 1.151 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1 ZINC000997188974 703479124 /nfs/dbraw/zinc/47/91/24/703479124.db2.gz VXFOIEXJYCJTQE-MRXNPFEDSA-N 2 0 346.475 1.911 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCOC)CC2)C1 ZINC000997274591 703535132 /nfs/dbraw/zinc/53/51/32/703535132.db2.gz NJSKKEKUNHPKNK-SJLPKXTDSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997361572 703595482 /nfs/dbraw/zinc/59/54/82/703595482.db2.gz WGIDWFBVRIFPLN-KBPBESRZSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cn1 ZINC000997361615 703595614 /nfs/dbraw/zinc/59/56/14/703595614.db2.gz WZCRHAWTVGPKLF-HOTGVXAUSA-N 2 0 345.491 1.738 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC[NH+]2CCCCC2)CC1)c1nncn1C ZINC000997369193 703610601 /nfs/dbraw/zinc/61/06/01/703610601.db2.gz ZDQAGNIADLRSBP-HNNXBMFYSA-N 2 0 348.495 1.333 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1)[NH+]1CCCC1 ZINC000997370151 703612059 /nfs/dbraw/zinc/61/20/59/703612059.db2.gz UJZGWEMUCIWZRB-KRWDZBQOSA-N 2 0 348.495 1.016 20 0 EDADRP C[NH+]1CCC(OCC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(C)(C)C2)CC1 ZINC001032705933 706756468 /nfs/dbraw/zinc/75/64/68/706756468.db2.gz RQZUXSBPZCQOJU-IRXDYDNUSA-N 2 0 349.519 1.819 20 0 EDADRP CO[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C[NH+](C)C1CCC1)C1CCC1 ZINC001032448814 703624537 /nfs/dbraw/zinc/62/45/37/703624537.db2.gz WWGJBLGTDCGKNO-BZSNNMDCSA-N 2 0 335.492 1.571 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@]2(C1)CCC[NH+](CCO)C2 ZINC001040430324 703709237 /nfs/dbraw/zinc/70/92/37/703709237.db2.gz APLWGKPFYGDOSC-MJGOQNOKSA-N 2 0 337.508 1.556 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC2)cn1 ZINC000997612744 703910264 /nfs/dbraw/zinc/91/02/64/703910264.db2.gz KPOKOYBPYPFVBP-QGZVFWFLSA-N 2 0 331.464 1.207 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1ncccn1 ZINC000997613684 703913280 /nfs/dbraw/zinc/91/32/80/703913280.db2.gz PCXCIKQCGGQQBZ-HOCLYGCPSA-N 2 0 331.464 1.460 20 0 EDADRP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997615763 703914783 /nfs/dbraw/zinc/91/47/83/703914783.db2.gz WVHBUHAAHXKMGT-DZGCQCFKSA-N 2 0 349.479 1.615 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccc(CO)cc2)C(C)(C)C1 ZINC000995550087 703929382 /nfs/dbraw/zinc/92/93/82/703929382.db2.gz HSZUVDZKCKMNFB-ZWKOTPCHSA-N 2 0 345.487 1.600 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997640959 703945771 /nfs/dbraw/zinc/94/57/71/703945771.db2.gz CHLSEVYBQWUBKD-MAUKXSAKSA-N 2 0 347.507 1.621 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001033079006 704130807 /nfs/dbraw/zinc/13/08/07/704130807.db2.gz YZBIIHIZWYKQJP-JKSUJKDBSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001033081735 704137519 /nfs/dbraw/zinc/13/75/19/704137519.db2.gz NSPMQNOFEKDJHN-MSOLQXFVSA-N 2 0 345.491 1.103 20 0 EDADRP Cc1ncc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)cn1 ZINC001033091132 704165487 /nfs/dbraw/zinc/16/54/87/704165487.db2.gz HGGOXNYHNAAWIL-KBRIMQKVSA-N 2 0 331.464 1.158 20 0 EDADRP Cc1ncsc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095223 704181535 /nfs/dbraw/zinc/18/15/35/704181535.db2.gz UONIKHNTQWSPJL-QLFBSQMISA-N 2 0 336.505 1.824 20 0 EDADRP Cc1ncccc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095518 704182334 /nfs/dbraw/zinc/18/23/34/704182334.db2.gz YWPJUTQQZHEVFV-BPQIPLTHSA-N 2 0 330.476 1.763 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3C[NH+](CCF)C[C@H]3CC2)CC[N@@H+]1C ZINC000946597806 704306334 /nfs/dbraw/zinc/30/63/34/704306334.db2.gz LEVGYOFYACODJK-VVLHAWIVSA-N 2 0 325.472 1.857 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCOCC1)[NH+]1CCCC1 ZINC001032557692 704739152 /nfs/dbraw/zinc/73/91/52/704739152.db2.gz PJSCMPARWUIWOQ-ROUUACIJSA-N 2 0 349.519 1.963 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)O1 ZINC000997830300 704749052 /nfs/dbraw/zinc/74/90/52/704749052.db2.gz HNLNCVYCFFLPIO-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@@H+](C)C3CCC3)CC2)ncn1 ZINC000997830281 704749181 /nfs/dbraw/zinc/74/91/81/704749181.db2.gz HDXNEGCYNVXQHG-UHFFFAOYSA-N 2 0 345.491 1.598 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)ncn1 ZINC000997830681 704751014 /nfs/dbraw/zinc/75/10/14/704751014.db2.gz MACMRCXQDCREQV-SFHVURJKSA-N 2 0 345.491 1.453 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997831111 704751500 /nfs/dbraw/zinc/75/15/00/704751500.db2.gz QNTIKCDCGZAWLH-SFHVURJKSA-N 2 0 348.491 1.905 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000997840037 704756362 /nfs/dbraw/zinc/75/63/62/704756362.db2.gz MHHMVSYUAASLLJ-KRWDZBQOSA-N 2 0 345.491 1.679 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1 ZINC000997840151 704756399 /nfs/dbraw/zinc/75/63/99/704756399.db2.gz MSBWQZLCPTZNFI-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000997840171 704756775 /nfs/dbraw/zinc/75/67/75/704756775.db2.gz NJLBKGWYCBXSGY-WBVHZDCISA-N 2 0 347.507 1.952 20 0 EDADRP C[C@H]1CN(Cc2coc(C3CC3)n2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942562 704794815 /nfs/dbraw/zinc/79/48/15/704794815.db2.gz BCJMUXQSHJZGRL-WMLDXEAASA-N 2 0 346.475 1.974 20 0 EDADRP COc1ccnc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)c1 ZINC000944944316 704797335 /nfs/dbraw/zinc/79/73/35/704797335.db2.gz MPMZYKUGZIJOFA-MAUKXSAKSA-N 2 0 346.475 1.513 20 0 EDADRP CCn1nnc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944945912 704799018 /nfs/dbraw/zinc/79/90/18/704799018.db2.gz UIUWXWMWQFMJKF-GOEBONIOSA-N 2 0 348.495 1.029 20 0 EDADRP Cc1ncsc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944946233 704799360 /nfs/dbraw/zinc/79/93/60/704799360.db2.gz VSEYSGRXAGLTRT-UKRRQHHQSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000945028229 704954926 /nfs/dbraw/zinc/95/49/26/704954926.db2.gz GCGQFMGRXDBTGW-YJBOKZPZSA-N 2 0 333.476 1.571 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000997955568 705079607 /nfs/dbraw/zinc/07/96/07/705079607.db2.gz HTPYGFIXWHKNJO-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000998044866 705240585 /nfs/dbraw/zinc/24/05/85/705240585.db2.gz AVBZJMACSUFEPQ-QGZVFWFLSA-N 2 0 336.480 1.897 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000998080473 705305980 /nfs/dbraw/zinc/30/59/80/705305980.db2.gz ALUYWZNZUQDAEK-ZIAGYGMSSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000998082645 705310400 /nfs/dbraw/zinc/31/04/00/705310400.db2.gz RUWDLZOSZYDZSY-ZIAGYGMSSA-N 2 0 349.479 1.609 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000998097288 705322246 /nfs/dbraw/zinc/32/22/46/705322246.db2.gz BUSQISSCDUPJJE-IRXDYDNUSA-N 2 0 325.497 1.556 20 0 EDADRP Cn1nccc1C[NH2+]CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000998133608 705397784 /nfs/dbraw/zinc/39/77/84/705397784.db2.gz BGOSLSZZOWJVJL-UHFFFAOYSA-N 2 0 347.507 1.480 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)CC1 ZINC001015898514 705419723 /nfs/dbraw/zinc/41/97/23/705419723.db2.gz FRIBHMCITLRVJV-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000998175982 705472164 /nfs/dbraw/zinc/47/21/64/705472164.db2.gz SNRDAJWTYJJSRJ-UHFFFAOYSA-N 2 0 349.479 1.438 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)c(C)o1 ZINC000998215648 705536851 /nfs/dbraw/zinc/53/68/51/705536851.db2.gz CXNAMUAEZRARMF-QGZVFWFLSA-N 2 0 348.491 1.961 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000998217951 705540503 /nfs/dbraw/zinc/54/05/03/705540503.db2.gz UPCURUAQVLSGEW-INIZCTEOSA-N 2 0 334.464 1.653 20 0 EDADRP CC1(C)CO[C@H](C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000998221100 705545865 /nfs/dbraw/zinc/54/58/65/705545865.db2.gz BSGAVUKHFJYEKI-KRWDZBQOSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1nc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)o1 ZINC001032611535 705579004 /nfs/dbraw/zinc/57/90/04/705579004.db2.gz MOFIEAZKGBZRQV-YQQAZPJKSA-N 2 0 334.464 1.663 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]C[C@H]3CC(C)(C)CO3)CC2)C1 ZINC000998266764 705635629 /nfs/dbraw/zinc/63/56/29/705635629.db2.gz QRLRUXSCIYBASA-IAGOWNOFSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC000998267661 705638849 /nfs/dbraw/zinc/63/88/49/705638849.db2.gz YIUIZYOOKFGKKE-GXTWGEPZSA-N 2 0 337.493 1.379 20 0 EDADRP CC(C)n1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000998275401 705659057 /nfs/dbraw/zinc/65/90/57/705659057.db2.gz ZMRUUPPIJOKRDS-MRXNPFEDSA-N 2 0 348.495 1.139 20 0 EDADRP Cn1nncc1C[NH2+]CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000998287968 705683182 /nfs/dbraw/zinc/68/31/82/705683182.db2.gz RWYMHDGTVUGYFY-UHFFFAOYSA-N 2 0 348.495 1.019 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)o1 ZINC000998552198 705989667 /nfs/dbraw/zinc/98/96/67/705989667.db2.gz SZIZMFACEWJCBW-NRXISQOPSA-N 2 0 334.464 1.719 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000998994867 706412017 /nfs/dbraw/zinc/41/20/17/706412017.db2.gz LSSDLMMBHCDAPR-BDVYOWHSSA-N 2 0 333.480 1.026 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2cscn2)C1 ZINC000999051853 706472787 /nfs/dbraw/zinc/47/27/87/706472787.db2.gz TXBUYVIVEDWFTH-UHFFFAOYSA-N 2 0 334.489 1.851 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]Cc2nccn2C)C1 ZINC000999058824 706480734 /nfs/dbraw/zinc/48/07/34/706480734.db2.gz TYONRGWNMRJHOH-UHFFFAOYSA-N 2 0 338.415 1.461 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000999146993 706560636 /nfs/dbraw/zinc/56/06/36/706560636.db2.gz ZIWCZPHEIGVOPY-IRXDYDNUSA-N 2 0 333.480 1.374 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]C[C@@H]2CCOC2)C1)[NH+]1CCCCC1 ZINC000999154363 706584632 /nfs/dbraw/zinc/58/46/32/706584632.db2.gz UQCYDRLUESBDJJ-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999354748 706843813 /nfs/dbraw/zinc/84/38/13/706843813.db2.gz RRWDKEVXPQPFTO-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]Cc3cc4n(n3)CCC4)C2)CCC1 ZINC000999354767 706843931 /nfs/dbraw/zinc/84/39/31/706843931.db2.gz RVZKQAYTGJLBQM-HNNXBMFYSA-N 2 0 345.491 1.394 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000999349454 706861627 /nfs/dbraw/zinc/86/16/27/706861627.db2.gz STIAMEOSKCYCGR-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+](C)C)C1 ZINC000999368939 706882766 /nfs/dbraw/zinc/88/27/66/706882766.db2.gz HVAJGOWFGXJQJI-NVXWUHKLSA-N 2 0 334.464 1.658 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC000999398892 706893340 /nfs/dbraw/zinc/89/33/40/706893340.db2.gz AXZIASVLQOYULN-ODIFPOPNSA-N 2 0 346.475 1.654 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)nn1 ZINC000999406875 706916454 /nfs/dbraw/zinc/91/64/54/706916454.db2.gz AYYLJXAETDKWCZ-HPUBIQBYSA-N 2 0 348.495 1.280 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]C[C@H]2CCCCO2)C1 ZINC000999410379 706920203 /nfs/dbraw/zinc/92/02/03/706920203.db2.gz WKZDYYGJMDEJLE-OFLPRAFFSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1)[NH+]1CCCCCC1 ZINC000999504362 707001670 /nfs/dbraw/zinc/00/16/70/707001670.db2.gz ZVSIEUBKGRVWLM-GTPINHCMSA-N 2 0 347.507 1.764 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000999507368 707005007 /nfs/dbraw/zinc/00/50/07/707005007.db2.gz YBWFVSDUQVPKSJ-UYSNPLJNSA-N 2 0 348.495 1.157 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2cccnc2)C1 ZINC000999509913 707007502 /nfs/dbraw/zinc/00/75/02/707007502.db2.gz SGJBLJKGVCQHCB-UHFFFAOYSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@H+]3C)C2)c1 ZINC000999514264 707013409 /nfs/dbraw/zinc/01/34/09/707013409.db2.gz VLPQTESKYFGNQW-MSOLQXFVSA-N 2 0 330.476 1.955 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999572916 707079299 /nfs/dbraw/zinc/07/92/99/707079299.db2.gz GGJXRKYRQFJDDC-QZTJIDSGSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999598551 707101273 /nfs/dbraw/zinc/10/12/73/707101273.db2.gz VNDAHHVRDLYFMX-HNNXBMFYSA-N 2 0 331.464 1.129 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999698835 707225829 /nfs/dbraw/zinc/22/58/29/707225829.db2.gz LJLDEFUJVKMFPA-FHERZECASA-N 2 0 346.475 1.767 20 0 EDADRP Cc1cncn1CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1nccn1C ZINC001004897169 707613333 /nfs/dbraw/zinc/61/33/33/707613333.db2.gz PWKMDSTYUTXUJL-HZPDHXFCSA-N 2 0 344.463 1.484 20 0 EDADRP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C23CC[NH+](CC2)C3)on1 ZINC001004984942 707833901 /nfs/dbraw/zinc/83/39/01/707833901.db2.gz ZWNZAEJBAAAPSD-RDJZCZTQSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CN(C)CCO3)CC[C@@H]2C1 ZINC000946536692 707896757 /nfs/dbraw/zinc/89/67/57/707896757.db2.gz UTNSZHNISTURLP-FGTMMUONSA-N 2 0 337.508 1.534 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@H]2CCCCO2)C1 ZINC001033476936 707939045 /nfs/dbraw/zinc/93/90/45/707939045.db2.gz ZDFYGCVWGTZWGT-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)CC2CC[NH+](C)CC2)C1)OC ZINC001033473577 707962592 /nfs/dbraw/zinc/96/25/92/707962592.db2.gz BSYYTWJKXVZOEU-IRXDYDNUSA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H]2CCOC2)c1 ZINC001032799578 708078750 /nfs/dbraw/zinc/07/87/50/708078750.db2.gz DDKSSGPXAULRAF-NEWSRXKRSA-N 2 0 343.471 1.683 20 0 EDADRP CO[C@@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001032800116 708080347 /nfs/dbraw/zinc/08/03/47/708080347.db2.gz VVGCVSRCONXBKK-WBAXXEDZSA-N 2 0 331.460 1.682 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC001005185112 708112332 /nfs/dbraw/zinc/11/23/32/708112332.db2.gz PWUIBYIYZHNYQZ-ROUUACIJSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H]1CC[C@@H](C[N@H+]2CC=C(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001001376940 708140850 /nfs/dbraw/zinc/14/08/50/708140850.db2.gz POKXCVIMENQOQF-RDJZCZTQSA-N 2 0 333.476 1.398 20 0 EDADRP CN(C)c1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC001033658824 708469883 /nfs/dbraw/zinc/46/98/83/708469883.db2.gz UWDQHYNLJXUQJE-LJQANCHMSA-N 2 0 344.503 1.881 20 0 EDADRP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659143 708470173 /nfs/dbraw/zinc/47/01/73/708470173.db2.gz BRMYZJPSYXUYPD-SJLPKXTDSA-N 2 0 345.487 1.988 20 0 EDADRP O=C(NCC1CC[NH+](CCC(F)(F)F)CC1)C12CC[NH+](CC1)C2 ZINC001002044111 708534812 /nfs/dbraw/zinc/53/48/12/708534812.db2.gz ZRUMGGJPIZWYSK-UHFFFAOYSA-N 2 0 333.398 1.863 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H]2CCCCO2)CC1)C12CC[NH+](CC1)C2 ZINC001002053542 708585544 /nfs/dbraw/zinc/58/55/44/708585544.db2.gz UAEOFCIAKSCCMA-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](CCC3CCOCC3)CC2)C1 ZINC001002125313 708640452 /nfs/dbraw/zinc/64/04/52/708640452.db2.gz IXNATTVMWNCLBB-GOSISDBHSA-N 2 0 337.508 1.583 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001002154586 708669315 /nfs/dbraw/zinc/66/93/15/708669315.db2.gz ARMSYESNSOCAFI-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NCc1ccccc1C[NH+]1CCC[C@H]1CO ZINC000921884311 708787121 /nfs/dbraw/zinc/78/71/21/708787121.db2.gz UCCHPTGBACCZGS-ROUUACIJSA-N 2 0 346.475 1.147 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2nccc(C)n2)C1 ZINC001033833355 708858657 /nfs/dbraw/zinc/85/86/57/708858657.db2.gz GAUCBBYRTNNUPM-IXDOHACOSA-N 2 0 345.491 1.548 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2cn(C)nc2C)C1 ZINC001033835295 708862558 /nfs/dbraw/zinc/86/25/58/708862558.db2.gz XKUZIVPPXHIIJJ-KBAYOESNSA-N 2 0 347.507 1.492 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@H]1CCN(Cc2ccns2)C1 ZINC001033838213 708867799 /nfs/dbraw/zinc/86/77/99/708867799.db2.gz MASFYONPDYSVSP-IJEWVQPXSA-N 2 0 336.505 1.906 20 0 EDADRP CN(C(=O)c1ccn(CC[NH+](C)C)n1)C1CC[NH+](CC2CCC2)CC1 ZINC001005411218 708925797 /nfs/dbraw/zinc/92/57/97/708925797.db2.gz WKSANQSMRHMKEZ-UHFFFAOYSA-N 2 0 347.507 1.781 20 0 EDADRP CCN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033895965 709013785 /nfs/dbraw/zinc/01/37/85/709013785.db2.gz FLBYPIWRDHKBBL-MRXNPFEDSA-N 2 0 343.431 1.450 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033904409 709032275 /nfs/dbraw/zinc/03/22/75/709032275.db2.gz GHUKXJMJAFLGOF-DHADLLTHSA-N 2 0 333.476 1.182 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](C)CC2)C1)OC ZINC001033939805 709145519 /nfs/dbraw/zinc/14/55/19/709145519.db2.gz COOYWMCQKHMETF-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@H]1CC[N@H+](CCCO)C1 ZINC001033990877 709198103 /nfs/dbraw/zinc/19/81/03/709198103.db2.gz ZDNBXTNYNMKMAS-SFHVURJKSA-N 2 0 333.476 1.667 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001034039185 709271842 /nfs/dbraw/zinc/27/18/42/709271842.db2.gz GGRJKZNRQFTWRA-MOPGFXCFSA-N 2 0 345.487 1.553 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H]1CCN(Cc2cnc(C)cn2)C1 ZINC001034040733 709288827 /nfs/dbraw/zinc/28/88/27/709288827.db2.gz WXEAQMXPTUBESV-NVXWUHKLSA-N 2 0 331.464 1.160 20 0 EDADRP CC(C)[N@H+]1CCC[C@@H]1CC(=O)N(C)C1CC[NH+](C[C@@H](C)O)CC1 ZINC001005504911 709334316 /nfs/dbraw/zinc/33/43/16/709334316.db2.gz VGGULHUHGMNFBX-NVXWUHKLSA-N 2 0 325.497 1.553 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001002790950 709398387 /nfs/dbraw/zinc/39/83/87/709398387.db2.gz CSWVKEANZLDPML-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001002792007 709399827 /nfs/dbraw/zinc/39/98/27/709399827.db2.gz MCYYQXOOUBGYFP-QGZVFWFLSA-N 2 0 333.480 1.337 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002831587 709442578 /nfs/dbraw/zinc/44/25/78/709442578.db2.gz HSQWZEOMSLSWRB-INIZCTEOSA-N 2 0 332.448 1.405 20 0 EDADRP CC1(C)CO[C@H](C[NH+]2CCC(NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC001002832123 709443134 /nfs/dbraw/zinc/44/31/34/709443134.db2.gz JZUPJXOKDJPAAV-ROUUACIJSA-N 2 0 349.519 1.724 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032830300 709466832 /nfs/dbraw/zinc/46/68/32/709466832.db2.gz SXZVQKQHBMOKEA-LEUOFYLZSA-N 2 0 337.508 1.722 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnoc3C)CC2)CC[N@@H+]1C ZINC001002859926 709468363 /nfs/dbraw/zinc/46/83/63/709468363.db2.gz VEYQPKBZFBORHJ-DLBZAZTESA-N 2 0 334.464 1.794 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034204270 709526281 /nfs/dbraw/zinc/52/62/81/709526281.db2.gz LHNCCWLJQAYWER-QZTJIDSGSA-N 2 0 347.507 1.727 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)[C@@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271478 709678516 /nfs/dbraw/zinc/67/85/16/709678516.db2.gz NNHNMEVOFAPNCQ-MSOLQXFVSA-N 2 0 347.507 1.418 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](CCn2cncn2)CC1 ZINC001003011921 709783739 /nfs/dbraw/zinc/78/37/39/709783739.db2.gz UEJHANOZZPZAHF-QGZVFWFLSA-N 2 0 348.495 1.122 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCCC[NH+](CCc3ccnn3C)C2)C1 ZINC001034393884 709929141 /nfs/dbraw/zinc/92/91/41/709929141.db2.gz HHWNUAPCVVHEMU-IAGOWNOFSA-N 2 0 347.507 1.275 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC001034397699 709938626 /nfs/dbraw/zinc/93/86/26/709938626.db2.gz KHNOQWMFQLYBNS-QAPCUYQASA-N 2 0 343.487 1.816 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001034445180 709989957 /nfs/dbraw/zinc/98/99/57/709989957.db2.gz QLDZJADUWQEPQQ-QAPCUYQASA-N 2 0 333.476 1.713 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC[C@@H]2CCOC2)C1)C12CC[NH+](CC1)C2 ZINC001034490905 710110103 /nfs/dbraw/zinc/11/01/03/710110103.db2.gz NKIHIJOOSBFDKE-IAGOWNOFSA-N 2 0 335.492 1.480 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001034491020 710110684 /nfs/dbraw/zinc/11/06/84/710110684.db2.gz OVUSKCFUWXPFEE-SJORKVTESA-N 2 0 347.507 1.275 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034491393 710111729 /nfs/dbraw/zinc/11/17/29/710111729.db2.gz UDOWQDXJHXKJQR-SJLPKXTDSA-N 2 0 347.507 1.275 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)C12CCC[NH+]1CCC2 ZINC001003244190 710167240 /nfs/dbraw/zinc/16/72/40/710167240.db2.gz MAFBHYADQIBQGQ-MRXNPFEDSA-N 2 0 335.492 1.622 20 0 EDADRP Cc1cc(C)n(CC[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)n1 ZINC001034527795 710181894 /nfs/dbraw/zinc/18/18/94/710181894.db2.gz IJMLCWHUFSMTEU-GOSISDBHSA-N 2 0 347.507 1.566 20 0 EDADRP O=C(NC1CC[NH+](CC2CCC2)CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003333202 710257362 /nfs/dbraw/zinc/25/73/62/710257362.db2.gz PSEQECQDKVOWPL-RMXPPQQLSA-N 2 0 333.476 1.230 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034643512 710319677 /nfs/dbraw/zinc/31/96/77/710319677.db2.gz XJBCXSVKKGSFLJ-KZNAEPCWSA-N 2 0 347.507 1.810 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccccn2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034649518 710325861 /nfs/dbraw/zinc/32/58/61/710325861.db2.gz ZWBAILAPIDNNBA-LNLFQRSKSA-N 2 0 342.487 1.940 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)CC[N@@H+]1C ZINC001034649594 710326173 /nfs/dbraw/zinc/32/61/73/710326173.db2.gz MAKZFDPLHIKPGI-NXNVCVFFSA-N 2 0 348.495 1.062 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003518654 710395705 /nfs/dbraw/zinc/39/57/05/710395705.db2.gz UBWCRSKIRJTGJA-UHFFFAOYSA-N 2 0 345.447 1.432 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)c2occc2C[NH+](C)C)CC1)OC ZINC001003518918 710395880 /nfs/dbraw/zinc/39/58/80/710395880.db2.gz VXPZCVGFOUFQLJ-INIZCTEOSA-N 2 0 337.464 1.960 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001003627922 710457914 /nfs/dbraw/zinc/45/79/14/710457914.db2.gz JSFSCVXLPSXKTB-QGZVFWFLSA-N 2 0 345.487 1.988 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001003628432 710458081 /nfs/dbraw/zinc/45/80/81/710458081.db2.gz PNINWGVKKJYLBU-OAHLLOKOSA-N 2 0 333.480 1.028 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001003629034 710458829 /nfs/dbraw/zinc/45/88/29/710458829.db2.gz XBICJKKFMDQIAR-OAHLLOKOSA-N 2 0 333.480 1.028 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034659180 710588404 /nfs/dbraw/zinc/58/84/04/710588404.db2.gz OJDCVDYUKZEVIA-BQFCYCMXSA-N 2 0 347.507 1.812 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034674809 710625070 /nfs/dbraw/zinc/62/50/70/710625070.db2.gz SFMGPUFSJPQBGW-BZUAXINKSA-N 2 0 348.495 1.299 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC001005591238 710647353 /nfs/dbraw/zinc/64/73/53/710647353.db2.gz GXCHCLZQYOOLQP-MSOLQXFVSA-N 2 0 337.508 1.963 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001034683837 710699642 /nfs/dbraw/zinc/69/96/42/710699642.db2.gz MOLFYGASUVOXLN-WKILWMFISA-N 2 0 345.491 1.566 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3C[C@]34CCOC4)CC2)CC1 ZINC001034720965 710872078 /nfs/dbraw/zinc/87/20/78/710872078.db2.gz IITTVHKPPWDZBA-MLYOOKFZSA-N 2 0 349.519 1.772 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC001034720962 710872248 /nfs/dbraw/zinc/87/22/48/710872248.db2.gz IITTVHKPPWDZBA-JPLJXNOCSA-N 2 0 349.519 1.772 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccnn3C)CC2)C1 ZINC001034734581 710917028 /nfs/dbraw/zinc/91/70/28/710917028.db2.gz RSVXTYQHCGKVMW-BZUAXINKSA-N 2 0 333.480 1.279 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccnn2C)CC1 ZINC001034736738 710924162 /nfs/dbraw/zinc/92/41/62/710924162.db2.gz AXQLDCQVYZZHKO-JKQORVJESA-N 2 0 333.480 1.135 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CCC[NH+]3C)C2)cc1 ZINC001032967405 711027397 /nfs/dbraw/zinc/02/73/97/711027397.db2.gz IMCOQFYZSCJDQP-SJLPKXTDSA-N 2 0 331.460 1.822 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC(N)=O)CC1 ZINC001034775132 711048609 /nfs/dbraw/zinc/04/86/09/711048609.db2.gz GKYGQOSGUHUBRQ-BZUAXINKSA-N 2 0 338.496 1.143 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccc(F)cn2)CC1)C12CC[NH+](CC1)C2 ZINC001034778526 711081228 /nfs/dbraw/zinc/08/12/28/711081228.db2.gz VFHHODOSWZLERM-WKILWMFISA-N 2 0 346.450 1.834 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001034779436 711085735 /nfs/dbraw/zinc/08/57/35/711085735.db2.gz UZDMUEFIECFUBS-JYJNAYRXSA-N 2 0 333.480 1.279 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)cn1 ZINC001034792203 711118634 /nfs/dbraw/zinc/11/86/34/711118634.db2.gz AOYRSDKANZUDHK-QAQDUYKDSA-N 2 0 333.480 1.075 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C[C@@H]2CCOC2)cc1 ZINC001034810280 711170511 /nfs/dbraw/zinc/17/05/11/711170511.db2.gz CULDYHRDMJDWAL-ROUUACIJSA-N 2 0 331.460 1.523 20 0 EDADRP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386878 711448410 /nfs/dbraw/zinc/44/84/10/711448410.db2.gz JUGUDXAXBCBCLL-MLYOOKFZSA-N 2 0 345.487 1.616 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([C@@H]3CCC[NH+]3CCO)CC2)CC[N@@H+]1C ZINC001004523697 711924431 /nfs/dbraw/zinc/92/44/31/711924431.db2.gz UKBRAQDQCRJIMU-SZMVWBNQSA-N 2 0 337.508 1.412 20 0 EDADRP O=C([C@@H]1CCCc2nc[nH]c21)N1CCC([C@H]2CCC[N@H+]2CCO)CC1 ZINC001004543427 711954223 /nfs/dbraw/zinc/95/42/23/711954223.db2.gz PGYSLLPJRRYNQQ-NVXWUHKLSA-N 2 0 346.475 1.525 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001004601843 712024157 /nfs/dbraw/zinc/02/41/57/712024157.db2.gz QQZKHMFSHLIVKS-ICSRJNTNSA-N 2 0 349.519 1.822 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)N1CCC[N@H+](C)CC1 ZINC000558053840 306235407 /nfs/dbraw/zinc/23/54/07/306235407.db2.gz MPVRMKZXBPLQTQ-IEBWSBKVSA-N 2 0 344.503 1.403 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)ccc1F ZINC000417665488 282145784 /nfs/dbraw/zinc/14/57/84/282145784.db2.gz YUUHMXQMEQHDPM-PBHICJAKSA-N 2 0 334.439 1.781 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000246208947 534958164 /nfs/dbraw/zinc/95/81/64/534958164.db2.gz YKRNQQRGBPSWQF-ZIAGYGMSSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@@H](CNC(=O)NCC[C@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000561151725 306282888 /nfs/dbraw/zinc/28/28/88/306282888.db2.gz QQYRUDMLVGQNJL-JKSUJKDBSA-N 2 0 330.476 1.732 20 0 EDADRP CN1CCO[C@@H]2CN(C(=O)c3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000412427690 304007239 /nfs/dbraw/zinc/00/72/39/304007239.db2.gz QZPINPFUVDWLPI-RBUKOAKNSA-N 2 0 343.471 1.828 20 0 EDADRP [NH3+][C@H]1CCCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000333937267 539662116 /nfs/dbraw/zinc/66/21/16/539662116.db2.gz LKQSIUHTSWXHKG-AWEZNQCLSA-N 2 0 326.510 1.481 20 0 EDADRP C[NH+]1CCN(c2ncccc2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000339068466 539700443 /nfs/dbraw/zinc/70/04/43/539700443.db2.gz KTPAPHWINVBZDT-MSOLQXFVSA-N 2 0 329.492 1.550 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000342982581 539770022 /nfs/dbraw/zinc/77/00/22/539770022.db2.gz DMARAMJWMJLGQE-XHSDSOJGSA-N 2 0 340.512 1.164 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000562751653 306307929 /nfs/dbraw/zinc/30/79/29/306307929.db2.gz KCHBRGVIQROVFU-DOMZBBRYSA-N 2 0 334.468 1.578 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)on2)cn1 ZINC000563153694 306320456 /nfs/dbraw/zinc/32/04/56/306320456.db2.gz CSVXXXVJHVOJIW-AWEZNQCLSA-N 2 0 331.420 1.262 20 0 EDADRP Cn1cc(-c2cc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)on2)cn1 ZINC000563153699 306320489 /nfs/dbraw/zinc/32/04/89/306320489.db2.gz CSVXXXVJHVOJIW-CQSZACIVSA-N 2 0 331.420 1.262 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000368152130 291035305 /nfs/dbraw/zinc/03/53/05/291035305.db2.gz MFNMSVHZNUDDPW-BQFCYCMXSA-N 2 0 336.524 1.344 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@H]2C1 ZINC000418686943 283069309 /nfs/dbraw/zinc/06/93/09/283069309.db2.gz QDVZYSNAKRMMMI-XDNAFOTISA-N 2 0 328.460 1.478 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959416 138137106 /nfs/dbraw/zinc/13/71/06/138137106.db2.gz XFCWZKFKSKDPBX-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074011127 138222763 /nfs/dbraw/zinc/22/27/63/138222763.db2.gz LHLZDMHGBPBJAP-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000563539400 306338183 /nfs/dbraw/zinc/33/81/83/306338183.db2.gz QADKSVGXXDSBRN-AZUAARDMSA-N 3 0 348.510 1.968 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000077622388 138253585 /nfs/dbraw/zinc/25/35/85/138253585.db2.gz QDSSFBWYNMKZBV-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC[NH+]1CCCCCC1 ZINC000076306823 138247882 /nfs/dbraw/zinc/24/78/82/138247882.db2.gz BPTTWSKCBHNZJT-KRWDZBQOSA-N 2 0 325.497 1.772 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603660 138264609 /nfs/dbraw/zinc/26/46/09/138264609.db2.gz QLOJQPPXFWMPRD-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP O=C(NCc1nccn1CCc1ccccc1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000563588022 306340145 /nfs/dbraw/zinc/34/01/45/306340145.db2.gz DMPHRBPHIXDBFN-CALCHBBNSA-N 2 0 339.443 1.487 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000563624945 306342617 /nfs/dbraw/zinc/34/26/17/306342617.db2.gz PCPPHLYAQXONSD-RCCFBDPRSA-N 2 0 328.460 1.504 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)NC(=O)Nc1ccccc1 ZINC000564788337 306364779 /nfs/dbraw/zinc/36/47/79/306364779.db2.gz DLKNJAJOAKWMRO-SFHVURJKSA-N 2 0 330.432 1.800 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000564936443 306370422 /nfs/dbraw/zinc/37/04/22/306370422.db2.gz ODPVJLMQMHSZCD-UHFFFAOYSA-N 2 0 342.447 1.865 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N1C[C@@H](c2ccccc2F)[C@H]([NH3+])C1 ZINC000565216339 306378923 /nfs/dbraw/zinc/37/89/23/306378923.db2.gz VHUIHGMNXHYVDV-SMDDNHRTSA-N 2 0 332.379 1.574 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)C1 ZINC000262256768 283581083 /nfs/dbraw/zinc/58/10/83/283581083.db2.gz FLJYUPZHIFEHEC-MAUKXSAKSA-N 2 0 345.487 1.777 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1ccn(C)n1 ZINC000414067054 304099666 /nfs/dbraw/zinc/09/96/66/304099666.db2.gz HPJYMJXMUXTWCM-INIZCTEOSA-N 2 0 328.464 1.678 20 0 EDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000565351213 306381984 /nfs/dbraw/zinc/38/19/84/306381984.db2.gz XBRTVGPXYABFKS-KSSFIOAISA-N 2 0 331.460 1.651 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CCOCC[NH+](C)C ZINC000414139925 304102471 /nfs/dbraw/zinc/10/24/71/304102471.db2.gz QUHWMUYAQCLYPD-LBPRGKRZSA-N 2 0 346.269 1.167 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2cn[nH]c21 ZINC000078678783 201191982 /nfs/dbraw/zinc/19/19/82/201191982.db2.gz TZJDDBGRKFRMSL-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP O=C(CN1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000565821424 306392136 /nfs/dbraw/zinc/39/21/36/306392136.db2.gz GUQKRZJKRDMKKR-QGZVFWFLSA-N 2 0 330.476 1.821 20 0 EDADRP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CCCN(CCCO)C1 ZINC000565892775 306394233 /nfs/dbraw/zinc/39/42/33/306394233.db2.gz QNOLSPQYYQHICW-OAHLLOKOSA-N 2 0 337.439 1.899 20 0 EDADRP COC1(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOCC1 ZINC000565929078 306394885 /nfs/dbraw/zinc/39/48/85/306394885.db2.gz CUBJQALKQSUMAE-IBGZPJMESA-N 2 0 347.503 1.760 20 0 EDADRP C[C@H](CC(=O)N1CCC(OCCC[NH+](C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000565949055 306395267 /nfs/dbraw/zinc/39/52/67/306395267.db2.gz LDZVTPOIFSAQBQ-IAGOWNOFSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566352059 306409898 /nfs/dbraw/zinc/40/98/98/306409898.db2.gz TURWJQGHNIEMON-GOSISDBHSA-N 2 0 335.448 1.316 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000414701682 304129768 /nfs/dbraw/zinc/12/97/68/304129768.db2.gz KNZWXVITVDMKRL-QLFBSQMISA-N 2 0 346.475 1.881 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000414701701 304129949 /nfs/dbraw/zinc/12/99/49/304129949.db2.gz KOOVEBYSVMEATK-LSDHHAIUSA-N 2 0 346.475 1.724 20 0 EDADRP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414709667 304131346 /nfs/dbraw/zinc/13/13/46/304131346.db2.gz PCVVIYDIVKLKIY-LLVKDONJSA-N 2 0 329.366 1.733 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414714712 304131636 /nfs/dbraw/zinc/13/16/36/304131636.db2.gz XYTVQPNZFNGMGA-JKSUJKDBSA-N 2 0 339.505 1.593 20 0 EDADRP CN(Cc1ccccc1)CC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414717739 304131928 /nfs/dbraw/zinc/13/19/28/304131928.db2.gz ZYCHRQDPBAGCLN-GOSISDBHSA-N 2 0 346.519 1.684 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000414716643 304132133 /nfs/dbraw/zinc/13/21/33/304132133.db2.gz XKMAVMVEWOXZDR-HOTGVXAUSA-N 2 0 330.432 1.088 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000414729810 304133589 /nfs/dbraw/zinc/13/35/89/304133589.db2.gz DCSMJEQGWWIWRX-MRXNPFEDSA-N 2 0 348.491 1.827 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC([NH+](C)C)CC2)c1 ZINC000414731243 304134185 /nfs/dbraw/zinc/13/41/85/304134185.db2.gz FNNJIOLWBTUNBU-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP COc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)cc1OC(F)F ZINC000414777809 304139780 /nfs/dbraw/zinc/13/97/80/304139780.db2.gz HLPVKARFZOSHJX-UHFFFAOYSA-N 2 0 329.391 1.682 20 0 EDADRP Fc1ccc(Br)c(C[NH2+]CCCN2CC[NH2+]CC2)c1 ZINC000414785298 304140386 /nfs/dbraw/zinc/14/03/86/304140386.db2.gz UYNNFPWOATZROL-UHFFFAOYSA-N 2 0 330.245 1.973 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423485148 299394216 /nfs/dbraw/zinc/39/42/16/299394216.db2.gz AMQFLVOXAIWWEE-GZBFAFLISA-N 2 0 325.478 1.715 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH2+]C)c1)[NH+](C)C ZINC000414833354 304146064 /nfs/dbraw/zinc/14/60/64/304146064.db2.gz AKJFUDJSKVQVIE-QGZVFWFLSA-N 2 0 348.491 1.827 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414844137 304146788 /nfs/dbraw/zinc/14/67/88/304146788.db2.gz PCZBHIIFMYTMBQ-ZDUSSCGKSA-N 2 0 348.422 1.010 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@@H](C)[NH2+]C2CC2)cc1 ZINC000567051482 306436333 /nfs/dbraw/zinc/43/63/33/306436333.db2.gz RMSRTMAVHYNXJJ-CQSZACIVSA-N 2 0 346.475 1.837 20 0 EDADRP CC(C)(C)[NH2+]CCNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415089654 304158511 /nfs/dbraw/zinc/15/85/11/304158511.db2.gz NXHORNMFSVOHSH-SFHVURJKSA-N 2 0 346.519 1.862 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000105113749 204134546 /nfs/dbraw/zinc/13/45/46/204134546.db2.gz QAGYTDDHKRGIEK-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP Cn1c(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)nc2ccccc21 ZINC000415138290 304163488 /nfs/dbraw/zinc/16/34/88/304163488.db2.gz KEEDIBYZECOOHK-PBHICJAKSA-N 2 0 326.444 1.774 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000236682154 139028518 /nfs/dbraw/zinc/02/85/18/139028518.db2.gz DHEQYODCGOLMEU-IBGZPJMESA-N 2 0 346.519 1.997 20 0 EDADRP CC(C)C[C@](C)(C[NH3+])NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000236713463 139029348 /nfs/dbraw/zinc/02/93/48/139029348.db2.gz VFCNAIAHNYWCBM-HXUWFJFHSA-N 2 0 346.519 1.927 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000236803605 139031912 /nfs/dbraw/zinc/03/19/12/139031912.db2.gz RUWVXNIJLMPPPX-HNNXBMFYSA-N 2 0 329.510 1.087 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000236852299 139033428 /nfs/dbraw/zinc/03/34/28/139033428.db2.gz RUNDMIJYCSOILW-SFHVURJKSA-N 2 0 332.492 1.751 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000362563818 296185696 /nfs/dbraw/zinc/18/56/96/296185696.db2.gz CWWQGZSGTUOZIH-LSDHHAIUSA-N 2 0 331.464 1.435 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000237202606 139044216 /nfs/dbraw/zinc/04/42/16/139044216.db2.gz MOADUXOHMAFJFG-IYBDPMFKSA-N 2 0 349.475 1.148 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)CC1 ZINC000237209791 139044365 /nfs/dbraw/zinc/04/43/65/139044365.db2.gz YCOIXURSJZYGSQ-UHFFFAOYSA-N 2 0 346.475 1.251 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000237212998 139044411 /nfs/dbraw/zinc/04/44/11/139044411.db2.gz PTTLVDPMBTZYSM-UHFFFAOYSA-N 2 0 330.476 1.245 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237341003 139048573 /nfs/dbraw/zinc/04/85/73/139048573.db2.gz IBZFBMASTUQXFC-MJGOQNOKSA-N 2 0 344.503 1.927 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C[NH+]1CCCCC1 ZINC000237322358 139047889 /nfs/dbraw/zinc/04/78/89/139047889.db2.gz SKFMOSGLYKORLM-AWEZNQCLSA-N 2 0 334.468 1.054 20 0 EDADRP C[NH+](C)CC(=O)NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC000129687858 205207830 /nfs/dbraw/zinc/20/78/30/205207830.db2.gz GZSZBISVXPWVMA-UHFFFAOYSA-N 2 0 339.867 1.861 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415194114 304173473 /nfs/dbraw/zinc/17/34/73/304173473.db2.gz KZTDDQIUWPDTDH-INIZCTEOSA-N 2 0 344.459 1.465 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000567505145 306453892 /nfs/dbraw/zinc/45/38/92/306453892.db2.gz NPFZRNPHPBQOJO-OAHLLOKOSA-N 2 0 342.447 1.652 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000237606631 139055397 /nfs/dbraw/zinc/05/53/97/139055397.db2.gz ZZTOWLLPNWPMTB-CALCHBBNSA-N 2 0 336.524 1.665 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000111581680 220166332 /nfs/dbraw/zinc/16/63/32/220166332.db2.gz PNPZJYSKBHRDMF-IBGZPJMESA-N 2 0 344.503 1.799 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CCC[NH2+]3)CC2)c1 ZINC000237723054 139058731 /nfs/dbraw/zinc/05/87/31/139058731.db2.gz QDIBKHXEBFNNJB-GOSISDBHSA-N 2 0 330.476 1.375 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000238185265 139069854 /nfs/dbraw/zinc/06/98/54/139069854.db2.gz ARFCCZGDNZQFAB-UHFFFAOYSA-N 2 0 328.254 1.638 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC[C@@H](C)[NH3+] ZINC000415245509 304178055 /nfs/dbraw/zinc/17/80/55/304178055.db2.gz ZUIMLFHUBOVKSX-CQSZACIVSA-N 2 0 349.479 1.696 20 0 EDADRP Cc1ccc(NC(=O)N2CCCC[C@H]2CNC(=O)CC[NH3+])c(C)n1 ZINC000415284292 304185271 /nfs/dbraw/zinc/18/52/71/304185271.db2.gz OWMMIGUEPCKYTD-AWEZNQCLSA-N 2 0 333.436 1.550 20 0 EDADRP NC(=O)C1CCN(c2ncccc2C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000567914923 306466820 /nfs/dbraw/zinc/46/68/20/306466820.db2.gz APBLHWRPAGWIKB-JKSUJKDBSA-N 2 0 331.464 1.143 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000415344373 304198968 /nfs/dbraw/zinc/19/89/68/304198968.db2.gz DJAIGENIFSOOCM-GDBMZVCRSA-N 2 0 346.475 1.499 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+](C)C(C)C)[C@@H](C)C1 ZINC000247283614 139143606 /nfs/dbraw/zinc/14/36/06/139143606.db2.gz SKISEHDVEXETKG-DLBZAZTESA-N 2 0 342.528 1.763 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(-n2cnnn2)cc1 ZINC000248012242 139157104 /nfs/dbraw/zinc/15/71/04/139157104.db2.gz LJFJZCGWQUREDN-QAPCUYQASA-N 2 0 344.463 1.550 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000368711441 284724393 /nfs/dbraw/zinc/72/43/93/284724393.db2.gz DYAHKIOWOOQFEN-XHSDSOJGSA-N 2 0 331.464 1.412 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000350980400 284755623 /nfs/dbraw/zinc/75/56/23/284755623.db2.gz HWWGZLAERWTGLD-LSDHHAIUSA-N 2 0 340.512 1.022 20 0 EDADRP Cc1cc(NC(=O)C(=O)NCC[C@@H]2CCC[NH2+]C2)ccc1C[NH+](C)C ZINC000415417275 304218597 /nfs/dbraw/zinc/21/85/97/304218597.db2.gz VKZAHLKNBZDLKR-HNNXBMFYSA-N 2 0 346.475 1.501 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000410592782 250351081 /nfs/dbraw/zinc/35/10/81/250351081.db2.gz QYTCIQLVRDOANR-UHFFFAOYSA-N 2 0 347.463 1.058 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000249833950 139199188 /nfs/dbraw/zinc/19/91/88/139199188.db2.gz QMYAKGBSRXATRX-FCEWJHQRSA-N 2 0 345.487 1.912 20 0 EDADRP CN(C(=O)COC1CC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261546571 139208828 /nfs/dbraw/zinc/20/88/28/139208828.db2.gz HASMAQPPSITWAE-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000261628064 139212683 /nfs/dbraw/zinc/21/26/83/139212683.db2.gz HBFHNGFLQCMUMM-CQSZACIVSA-N 2 0 330.407 1.661 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261645242 139214081 /nfs/dbraw/zinc/21/40/81/139214081.db2.gz IZOIHURTUKIRPM-WMZOPIPTSA-N 2 0 331.460 1.775 20 0 EDADRP COc1ccccc1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261723691 139220640 /nfs/dbraw/zinc/22/06/40/139220640.db2.gz RADBFPPXDDTNQY-WBVHZDCISA-N 2 0 331.460 1.775 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(OC)c1OC ZINC000261749953 139222965 /nfs/dbraw/zinc/22/29/65/139222965.db2.gz URHVTTSSBBUQGX-OAHLLOKOSA-N 2 0 335.448 1.192 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)N1CC[C@](C)(C[NH3+])C1 ZINC000261793023 139226487 /nfs/dbraw/zinc/22/64/87/139226487.db2.gz NSLLOXQVAVMDBP-DNVCBOLYSA-N 2 0 346.475 1.100 20 0 EDADRP CCN(Cc1ccc(OC)c(OC)c1)C(=O)CN1CC[C@](C)(C[NH3+])C1 ZINC000261836084 139230251 /nfs/dbraw/zinc/23/02/51/139230251.db2.gz QJBDJCLVXWTNHY-LJQANCHMSA-N 2 0 349.475 1.723 20 0 EDADRP FC(F)(F)CN1CC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)C1 ZINC000261894413 139234818 /nfs/dbraw/zinc/23/48/18/139234818.db2.gz GYXCLKFTGKBBDP-KBUPBQIOSA-N 2 0 335.414 1.617 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261926246 139237578 /nfs/dbraw/zinc/23/75/78/139237578.db2.gz ZHAGNZKHCWPZKH-OLMNPRSZSA-N 2 0 331.460 1.835 20 0 EDADRP C[C@]([NH3+])(C(=O)N[C@H](C[NH3+])C1CC1)c1ccc(Br)cc1 ZINC000261988191 139242177 /nfs/dbraw/zinc/24/21/77/139242177.db2.gz QROBACVEPBAIKL-TZMCWYRMSA-N 2 0 326.238 1.477 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)C1C[NH2+]C1 ZINC000262030019 139245106 /nfs/dbraw/zinc/24/51/06/139245106.db2.gz BMIMDXLRULOJKI-AWEZNQCLSA-N 2 0 349.450 1.641 20 0 EDADRP O=C(c1ccco1)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000262031922 139245238 /nfs/dbraw/zinc/24/52/38/139245238.db2.gz XQIAVAKWNAUKRX-BBWFWOEESA-N 2 0 347.459 1.631 20 0 EDADRP CCOc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000262035825 139245553 /nfs/dbraw/zinc/24/55/53/139245553.db2.gz XSARFHWIQCNARA-INIZCTEOSA-N 2 0 349.450 1.868 20 0 EDADRP O=C(CC[NH+]1CCC(OCc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262064964 139247958 /nfs/dbraw/zinc/24/79/58/139247958.db2.gz JKPGLQXUEVHLOC-UHFFFAOYSA-N 2 0 331.460 1.490 20 0 EDADRP C[C@H]1CCCC[C@]1(C[NH3+])NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000262100255 139250933 /nfs/dbraw/zinc/25/09/33/139250933.db2.gz SSZLDSXTHDERAG-WMLDXEAASA-N 2 0 339.505 1.934 20 0 EDADRP COCCCn1nccc1C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000415112947 250911469 /nfs/dbraw/zinc/91/14/69/250911469.db2.gz TULCKNATPBUHJR-MSOLQXFVSA-N 2 0 336.480 1.638 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128268 139253315 /nfs/dbraw/zinc/25/33/15/139253315.db2.gz CVCMPDKVMKUNJS-HLIPFELVSA-N 2 0 349.519 1.996 20 0 EDADRP COc1cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc(OC)c1 ZINC000262141090 139254528 /nfs/dbraw/zinc/25/45/28/139254528.db2.gz ZCHSFKBGALTYDY-HNNXBMFYSA-N 2 0 335.448 1.523 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CCC1 ZINC000415568706 304227226 /nfs/dbraw/zinc/22/72/26/304227226.db2.gz ZVONBPMHGZZJID-UHFFFAOYSA-N 2 0 344.459 1.609 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CC[C@@H]([NH2+]C)C3)c2)CC1 ZINC000415506639 250977892 /nfs/dbraw/zinc/97/78/92/250977892.db2.gz SWPWGWZAJBBBQO-MRXNPFEDSA-N 2 0 331.464 1.654 20 0 EDADRP COC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000262203655 139259540 /nfs/dbraw/zinc/25/95/40/139259540.db2.gz DJPBDBNCKNAJIS-KBPBESRZSA-N 2 0 345.365 1.370 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)c1cccs1 ZINC000415995424 251044265 /nfs/dbraw/zinc/04/42/65/251044265.db2.gz MZUJALGVDBBWAW-GXSJLCMTSA-N 2 0 338.399 1.930 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416831298 251112539 /nfs/dbraw/zinc/11/25/39/251112539.db2.gz AVMCBPNDPASFIY-AEFFLSMTSA-N 2 0 328.460 1.797 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O)c1ccsc1 ZINC000417011953 251130491 /nfs/dbraw/zinc/13/04/91/251130491.db2.gz UOFFPTNLOMJJDF-KKUMJFAQSA-N 2 0 340.493 1.105 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417019002 251134834 /nfs/dbraw/zinc/13/48/34/251134834.db2.gz KTKKVACPOFJWCC-INIZCTEOSA-N 2 0 333.480 1.235 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000417222833 251147939 /nfs/dbraw/zinc/14/79/39/251147939.db2.gz QUMIUPZMUWKFMB-BGTYHANMSA-N 2 0 328.460 1.825 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccco1 ZINC000417317354 251156518 /nfs/dbraw/zinc/15/65/18/251156518.db2.gz WKNQXWYZFIHCPZ-TZMCWYRMSA-N 2 0 344.406 1.959 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2(C[NH3+])CCOCC2)cc1 ZINC000262344868 139271827 /nfs/dbraw/zinc/27/18/27/139271827.db2.gz TZSAMJZFDUQPAP-UHFFFAOYSA-N 2 0 348.447 1.271 20 0 EDADRP COCC1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000262360024 139273012 /nfs/dbraw/zinc/27/30/12/139273012.db2.gz KAXPVHYKOXBLSD-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP CN(C)[C@@H](CNC(=O)N1CCC[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000417661805 251217054 /nfs/dbraw/zinc/21/70/54/251217054.db2.gz QFXQGXQJSPHIAQ-FZMZJTMJSA-N 2 0 326.391 1.700 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H](C[NH3+])C[C@@H]2C)[C@@H](C)C1 ZINC000417667836 251221128 /nfs/dbraw/zinc/22/11/28/251221128.db2.gz HPEHEILUNDCSQY-QAETUUGQSA-N 2 0 340.512 1.502 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000176084766 207189531 /nfs/dbraw/zinc/18/95/31/207189531.db2.gz VFYDNTOCEISEFJ-UHFFFAOYSA-N 2 0 348.491 1.699 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000417830184 251287815 /nfs/dbraw/zinc/28/78/15/251287815.db2.gz RRYFQZYDFFMCTA-GOSISDBHSA-N 2 0 341.459 1.451 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000417847032 251295501 /nfs/dbraw/zinc/29/55/01/251295501.db2.gz UNVVJCFOBJBJTC-KBAYOESNSA-N 2 0 346.475 1.409 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417846700 251295564 /nfs/dbraw/zinc/29/55/64/251295564.db2.gz PZVCBOSISSGOAR-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417803906 251277140 /nfs/dbraw/zinc/27/71/40/251277140.db2.gz GFGFEGLSEKPCNP-GJZGRUSLSA-N 2 0 326.485 1.268 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000417815341 251280167 /nfs/dbraw/zinc/28/01/67/251280167.db2.gz BWJSUFJGMIJSRF-NUJGCVRESA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)cc1 ZINC000417824049 251285080 /nfs/dbraw/zinc/28/50/80/251285080.db2.gz ZIAOSEALSWSRCI-SUMWQHHRSA-N 2 0 327.432 1.757 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(OCCN2CC[NH+](C)CC2)cc1 ZINC000262503208 139282895 /nfs/dbraw/zinc/28/28/95/139282895.db2.gz AOEWPFCZJAWEDR-GJZGRUSLSA-N 2 0 334.464 1.235 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000417944407 251317520 /nfs/dbraw/zinc/31/75/20/251317520.db2.gz CHSXLXMDIIZBHU-WKPIXPDZSA-N 2 0 326.391 1.747 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108181 251324414 /nfs/dbraw/zinc/32/44/14/251324414.db2.gz AOJGHPVTSQPPIS-HZPDHXFCSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000262516692 139283685 /nfs/dbraw/zinc/28/36/85/139283685.db2.gz GNRWCJARXLAPIL-IAGOWNOFSA-N 2 0 332.492 1.688 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2([NH3+])CCCCCC2)CCCO1 ZINC000418112141 251327317 /nfs/dbraw/zinc/32/73/17/251327317.db2.gz HVMRKRMJEMJNEV-INIZCTEOSA-N 2 0 340.512 1.838 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N[C@H](C[NH3+])C2CCCC2)CCCO1 ZINC000418114315 251329659 /nfs/dbraw/zinc/32/96/59/251329659.db2.gz LNXPNDJFZUMLSA-GOEBONIOSA-N 2 0 326.485 1.304 20 0 EDADRP CCn1nncc1C[NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1 ZINC000417864250 251303997 /nfs/dbraw/zinc/30/39/97/251303997.db2.gz GTIZIQYERVWTLU-UHFFFAOYSA-N 2 0 342.491 1.725 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000418151502 251346327 /nfs/dbraw/zinc/34/63/27/251346327.db2.gz STIRIPHXUGYQDI-ZWKOTPCHSA-N 2 0 330.476 1.934 20 0 EDADRP [NH3+]C[C@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)C1CCCCC1 ZINC000418384467 251364087 /nfs/dbraw/zinc/36/40/87/251364087.db2.gz ONCILGNOFFXLNN-HOTGVXAUSA-N 2 0 326.485 1.040 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1)C(F)F ZINC000418706526 251389601 /nfs/dbraw/zinc/38/96/01/251389601.db2.gz HPBBSILVFIPSDO-RDBSUJKOSA-N 2 0 344.381 1.634 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418722350 251396585 /nfs/dbraw/zinc/39/65/85/251396585.db2.gz MTSNDKIHRAGWCT-HZPDHXFCSA-N 2 0 339.528 1.219 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418750649 251411510 /nfs/dbraw/zinc/41/15/10/251411510.db2.gz OWJAUFUXAIMBQN-CQSZACIVSA-N 2 0 326.391 1.197 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418534587 251378008 /nfs/dbraw/zinc/37/80/08/251378008.db2.gz XLYUXYYRLOUIOG-GFCCVEGCSA-N 2 0 328.407 1.775 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418641331 251382780 /nfs/dbraw/zinc/38/27/80/251382780.db2.gz SAWZHPNUSAENAV-MPGHIAIKSA-N 2 0 330.476 1.938 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418680355 251384711 /nfs/dbraw/zinc/38/47/11/251384711.db2.gz FZIOQEFFQSOQQV-KSZLIROESA-N 2 0 330.476 1.724 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000418687081 251385517 /nfs/dbraw/zinc/38/55/17/251385517.db2.gz LHETXLKGJKPYPH-BPQIPLTHSA-N 2 0 348.491 1.296 20 0 EDADRP C[C@H](C(=O)NCC[C@@H]1CC[NH2+]C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262564144 139286845 /nfs/dbraw/zinc/28/68/45/139286845.db2.gz BKNNSJWKVHNFNX-CVEARBPZSA-N 2 0 348.466 1.452 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)N[C@H](CC[NH3+])C(F)F)CC2)CC1 ZINC000418701033 251388766 /nfs/dbraw/zinc/38/87/66/251388766.db2.gz CKFBPXSKKBJXPU-JXQTWKCFSA-N 2 0 332.439 1.875 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]([NH3+])c3ccc(C)cc3)CC2)c1 ZINC000262609132 139289858 /nfs/dbraw/zinc/28/98/58/139289858.db2.gz BNEGQZNOHSTQNL-GOSISDBHSA-N 2 0 340.427 1.747 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000262624274 139290917 /nfs/dbraw/zinc/29/09/17/139290917.db2.gz ZYZFWIBRIGOFCA-QGZVFWFLSA-N 2 0 335.423 1.285 20 0 EDADRP C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000262639721 139292325 /nfs/dbraw/zinc/29/23/25/139292325.db2.gz JSCBWRMQTAGLOI-JZXOWHBKSA-N 2 0 331.460 1.503 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000262666737 139294764 /nfs/dbraw/zinc/29/47/64/139294764.db2.gz KRGBSIKRLHWDJN-ROUUACIJSA-N 2 0 333.476 1.676 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CC[NH+](C2CCCC2)CC1 ZINC000262859478 139308528 /nfs/dbraw/zinc/30/85/28/139308528.db2.gz WFYIKEHTUPKITP-INIZCTEOSA-N 2 0 331.464 1.508 20 0 EDADRP CC1(C(=O)NCCN2CC[NH2+]CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000422745472 251964898 /nfs/dbraw/zinc/96/48/98/251964898.db2.gz VFCYKTXSRVORJT-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422878082 252008946 /nfs/dbraw/zinc/00/89/46/252008946.db2.gz IWHJLBDIRZTPJW-LUKYLMHMSA-N 2 0 325.497 1.628 20 0 EDADRP COC1CC[NH+](C2(CN[C@H](C)C[C@H]3COCC[NH2+]3)CCCC2)CC1 ZINC000422883123 252009870 /nfs/dbraw/zinc/00/98/70/252009870.db2.gz BPOBZPREASDCPP-SJORKVTESA-N 2 0 339.524 1.767 20 0 EDADRP CC(C)C[C@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)[NH+](C)C ZINC000423321666 252045773 /nfs/dbraw/zinc/04/57/73/252045773.db2.gz NJUYHELKRGEMLN-LSDHHAIUSA-N 2 0 335.496 1.593 20 0 EDADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CC2=CC[NH2+]CC2)cc1 ZINC000423345691 252048138 /nfs/dbraw/zinc/04/81/38/252048138.db2.gz GBDOPBUGEBELLI-SFHVURJKSA-N 2 0 327.432 1.927 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N1C[C@@H](C[NH3+])C[C@H]1C)CC2 ZINC000423485324 252055563 /nfs/dbraw/zinc/05/55/63/252055563.db2.gz ZCKKYOGJIOMIGB-ZIAGYGMSSA-N 2 0 347.459 1.258 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)C[C@H]1COCC[NH2+]1 ZINC000423736816 252067083 /nfs/dbraw/zinc/06/70/83/252067083.db2.gz CBDDULQEJYXEAM-HNNXBMFYSA-N 2 0 341.402 1.234 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H](C)CCCC[NH3+])c(C)s1 ZINC000422991517 252022148 /nfs/dbraw/zinc/02/21/48/252022148.db2.gz BKEKPEHSPAZJEH-LLVKDONJSA-N 2 0 333.523 1.750 20 0 EDADRP [NH3+]C1(CNC(=O)CC[C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000424024295 252118027 /nfs/dbraw/zinc/11/80/27/252118027.db2.gz WWVVUTLGBASROM-QGZVFWFLSA-N 3 0 344.503 1.486 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)[C@@H](C)[NH3+] ZINC000423791140 252075629 /nfs/dbraw/zinc/07/56/29/252075629.db2.gz GYDNUUWLQHMGBF-NXHRZFHOSA-N 2 0 332.492 1.981 20 0 EDADRP CC[C@@]1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCC[NH2+]1 ZINC000423800259 252081427 /nfs/dbraw/zinc/08/14/27/252081427.db2.gz RDCCBKMUBQMSQG-IBGZPJMESA-N 2 0 337.508 1.870 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423801327 252081621 /nfs/dbraw/zinc/08/16/21/252081621.db2.gz SUUOFCFXARXVEQ-KURKYZTESA-N 2 0 330.476 1.750 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262917170 139312666 /nfs/dbraw/zinc/31/26/66/139312666.db2.gz ZBFSCCYRPSHSCN-UKRRQHHQSA-N 2 0 332.448 1.450 20 0 EDADRP Cn1cc(C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424161342 252149229 /nfs/dbraw/zinc/14/92/29/252149229.db2.gz VSHWLXUNHVKWMM-HOTGVXAUSA-N 2 0 345.491 1.588 20 0 EDADRP [NH3+][C@@H](CCC(=O)NCC[N@@H+]1CCCOCC1)CC1CCCCC1 ZINC000424179236 252155127 /nfs/dbraw/zinc/15/51/27/252155127.db2.gz YMCXLKIWDDVAMO-KRWDZBQOSA-N 2 0 325.497 1.903 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCNC(=O)CCCc1ccccc1 ZINC000424375510 252202551 /nfs/dbraw/zinc/20/25/51/252202551.db2.gz KGEVUAKMCNHJCD-SZMVWBNQSA-N 2 0 333.476 1.467 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)o1 ZINC000424372473 252203274 /nfs/dbraw/zinc/20/32/74/252203274.db2.gz FSBNYJJBWDEEET-UHFFFAOYSA-N 2 0 330.388 1.703 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c[nH]1 ZINC000424387043 252206352 /nfs/dbraw/zinc/20/63/52/252206352.db2.gz XZMUOKUDVUPVBO-UHFFFAOYSA-N 2 0 329.404 1.438 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000424471772 252242251 /nfs/dbraw/zinc/24/22/51/252242251.db2.gz TYGXMOLYAFEHCV-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000111826846 285035364 /nfs/dbraw/zinc/03/53/64/285035364.db2.gz VYHDVVBVXKRRPW-HOTGVXAUSA-N 2 0 328.501 1.373 20 0 EDADRP COCCN1CC[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000422892914 285059921 /nfs/dbraw/zinc/05/99/21/285059921.db2.gz ZSUKGDADJBRZDD-KVSKMBFKSA-N 2 0 331.460 1.553 20 0 EDADRP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263283181 139333092 /nfs/dbraw/zinc/33/30/92/139333092.db2.gz UOULUHNUNYDEJR-GLXFQSAKSA-N 2 0 331.229 1.689 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[NH+]4CCC3CC4)CC2)CC1 ZINC000570056658 306529286 /nfs/dbraw/zinc/52/92/86/306529286.db2.gz VYSCGPYRWAEYLM-UHFFFAOYSA-N 2 0 348.535 1.489 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@H]3CCSC3)CC2)C1 ZINC000369666526 155132004 /nfs/dbraw/zinc/13/20/04/155132004.db2.gz WQLCPNWTEYONCP-SJORKVTESA-N 2 0 327.538 1.466 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354985841 285193580 /nfs/dbraw/zinc/19/35/80/285193580.db2.gz UBXYOEWHIHTCRG-FUHWJXTLSA-N 2 0 336.524 1.488 20 0 EDADRP CC[N@H+](CCNC(=O)NCc1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000263746769 139357425 /nfs/dbraw/zinc/35/74/25/139357425.db2.gz PDQDJSVVPIMEDX-UHFFFAOYSA-N 2 0 348.491 1.911 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000415772094 304267928 /nfs/dbraw/zinc/26/79/28/304267928.db2.gz DYBVHMOEYJSHNE-AWEZNQCLSA-N 2 0 334.464 1.711 20 0 EDADRP C[C@@H]1[C@@H](CO)CC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000488746372 255052331 /nfs/dbraw/zinc/05/23/31/255052331.db2.gz FWPCRHNPOGYHBC-VQIMIIECSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1cccnc1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000264410212 139403540 /nfs/dbraw/zinc/40/35/40/139403540.db2.gz LHJADFVPARBCQB-UHFFFAOYSA-N 2 0 335.496 1.805 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)N(C)CC[NH3+])cc2)CC1 ZINC000415878787 304283615 /nfs/dbraw/zinc/28/36/15/304283615.db2.gz NOTCRWNIQGEHFY-UHFFFAOYSA-N 2 0 332.448 1.274 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](C[C@@H]3CCSC3)CC2)C1 ZINC000369666525 155132080 /nfs/dbraw/zinc/13/20/80/155132080.db2.gz WQLCPNWTEYONCP-IRXDYDNUSA-N 2 0 327.538 1.466 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000270848702 140182183 /nfs/dbraw/zinc/18/21/83/140182183.db2.gz LPBBEMBSUMOUOY-RCCFBDPRSA-N 2 0 331.460 1.080 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000416301970 304305745 /nfs/dbraw/zinc/30/57/45/304305745.db2.gz MOFVXWUECIGGSM-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)N[C@H]3CCN(c4ccccn4)C3)C[C@@H]21 ZINC000333127111 141268413 /nfs/dbraw/zinc/26/84/13/141268413.db2.gz BEOLVRJAVDFTLN-FXUDXRNXSA-N 2 0 329.448 1.429 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000333471214 141322682 /nfs/dbraw/zinc/32/26/82/141322682.db2.gz ASXPRBMMAVBGKX-GOEBONIOSA-N 2 0 329.510 1.312 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@H]12 ZINC000333540802 141333869 /nfs/dbraw/zinc/33/38/69/141333869.db2.gz JFKABAICZAXOLX-BPQIPLTHSA-N 2 0 343.475 1.677 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000333679799 141355935 /nfs/dbraw/zinc/35/59/35/141355935.db2.gz ZMKVBSOVEKADHV-MVWHLILJSA-N 2 0 338.402 1.841 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000333854094 141395172 /nfs/dbraw/zinc/39/51/72/141395172.db2.gz OEBICKNRAWJCQQ-SZMVWBNQSA-N 2 0 337.508 1.852 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCCC[NH+]2CCCC2)C1 ZINC000339349162 142024274 /nfs/dbraw/zinc/02/42/74/142024274.db2.gz MZJAGTLYRZQDRG-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000339573067 142081192 /nfs/dbraw/zinc/08/11/92/142081192.db2.gz GHQMJZNUGGERND-UHFFFAOYSA-N 2 0 340.512 1.215 20 0 EDADRP CS(=O)(=O)CC1CCC([NH2+]CCCC[NH+]2CCOCC2)CC1 ZINC000340186541 142295778 /nfs/dbraw/zinc/29/57/78/142295778.db2.gz VISZMWNTUIJVNS-UHFFFAOYSA-N 2 0 332.510 1.292 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCC(CS(C)(=O)=O)CC1 ZINC000340362715 142360086 /nfs/dbraw/zinc/36/00/86/142360086.db2.gz XTYAELVWFAFRPL-GTPINHCMSA-N 2 0 345.553 1.205 20 0 EDADRP C[C@@H](C(=O)N1CCN(CC[NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000346101217 143167732 /nfs/dbraw/zinc/16/77/32/143167732.db2.gz CHCXMBUGKUJCPE-KRWDZBQOSA-N 2 0 344.503 1.139 20 0 EDADRP COc1ccsc1C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346645533 143225676 /nfs/dbraw/zinc/22/56/76/143225676.db2.gz DTURTFVXGUXEMQ-KBPBESRZSA-N 2 0 337.489 1.837 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)c(=O)[nH]1 ZINC000346791624 143246143 /nfs/dbraw/zinc/24/61/43/143246143.db2.gz JOCSVNIAOMLQIZ-GUYCJALGSA-N 2 0 327.432 1.886 20 0 EDADRP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000347105774 143283268 /nfs/dbraw/zinc/28/32/68/143283268.db2.gz NHKCNTWZMVWUCL-OAHLLOKOSA-N 2 0 335.496 1.542 20 0 EDADRP CCCOc1cc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)ccc1OC ZINC000347120139 143284881 /nfs/dbraw/zinc/28/48/81/143284881.db2.gz VNVRUKALGMQAPR-INIZCTEOSA-N 2 0 349.475 1.771 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)C[NH2+]C4)cn2)CC1 ZINC000347501945 143329382 /nfs/dbraw/zinc/32/93/82/143329382.db2.gz IIRAPFXKJSINSW-UHFFFAOYSA-N 2 0 337.427 1.689 20 0 EDADRP Cn1nccc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000348080324 143398444 /nfs/dbraw/zinc/39/84/44/143398444.db2.gz HZGLFMURZUAWRU-XYJFISCASA-N 2 0 337.487 1.749 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)[C@H](C[NH3+])C1 ZINC000573073457 306610421 /nfs/dbraw/zinc/61/04/21/306610421.db2.gz CORIHUZVMNFLNE-ZMSDIMECSA-N 2 0 332.448 1.021 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C)CCCC[NH3+])CC1 ZINC000417550383 292168372 /nfs/dbraw/zinc/16/83/72/292168372.db2.gz VCVQVZOHWYJULA-CQSZACIVSA-N 2 0 328.501 1.693 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000369766809 155169585 /nfs/dbraw/zinc/16/95/85/155169585.db2.gz ODNWTTHPLTUGRT-IRXDYDNUSA-N 2 0 325.497 1.678 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C ZINC000369795968 155180434 /nfs/dbraw/zinc/18/04/34/155180434.db2.gz VPYBQJRHQGQOIM-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP Clc1cccnc1OCC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000573197682 306614638 /nfs/dbraw/zinc/61/46/38/306614638.db2.gz UHAZZQSEWZWPBI-AEGPPILISA-N 2 0 325.840 1.861 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000416821653 304350202 /nfs/dbraw/zinc/35/02/02/304350202.db2.gz URYZTEWUMIDOLS-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP COc1ccc([C@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+]2CCCC2)cc1 ZINC000416822091 304350163 /nfs/dbraw/zinc/35/01/63/304350163.db2.gz MUOVTEOWYPEPDO-PBHICJAKSA-N 2 0 334.464 1.821 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846836 304351779 /nfs/dbraw/zinc/35/17/79/304351779.db2.gz UQDJZNNAWPFWCH-MJGOQNOKSA-N 2 0 346.475 1.329 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C)[C@@H](C)C1 ZINC000356084041 286058070 /nfs/dbraw/zinc/05/80/70/286058070.db2.gz DFGDNNHKRZZGST-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH2+]C)[C@@H](C)C1 ZINC000417666390 286060546 /nfs/dbraw/zinc/06/05/46/286060546.db2.gz CRIGRHLNLCEKFQ-PMPSAXMXSA-N 2 0 328.501 1.278 20 0 EDADRP CCC[C@@]1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000352815636 149177923 /nfs/dbraw/zinc/17/79/23/149177923.db2.gz KXCLNLSTZBDCRP-SJLPKXTDSA-N 2 0 341.496 1.008 20 0 EDADRP CCC[C@]1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCOC1 ZINC000352815637 149178245 /nfs/dbraw/zinc/17/82/45/149178245.db2.gz KXCLNLSTZBDCRP-WMZOPIPTSA-N 2 0 341.496 1.008 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC[N@H+]2CC=CCC2)cc1 ZINC000353245653 149338016 /nfs/dbraw/zinc/33/80/16/149338016.db2.gz UGPGTAXUAODRFQ-UHFFFAOYSA-N 2 0 346.475 1.688 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000353318300 149363237 /nfs/dbraw/zinc/36/32/37/149363237.db2.gz ZBYDHFFWZSRBQN-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000416968246 304357146 /nfs/dbraw/zinc/35/71/46/304357146.db2.gz ACGLURXBYJVQLD-SFHVURJKSA-N 2 0 330.476 1.730 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@](C)(C[NH3+])C2)c1 ZINC000416973385 304358663 /nfs/dbraw/zinc/35/86/63/304358663.db2.gz INUDBLARIYEDHI-GOSISDBHSA-N 2 0 334.464 1.507 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000416975663 304358958 /nfs/dbraw/zinc/35/89/58/304358958.db2.gz ZINHOLLJPWHVII-DAYGRLMNSA-N 2 0 348.491 1.832 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000416973665 304358512 /nfs/dbraw/zinc/35/85/12/304358512.db2.gz JOCHSGQPUWOBLD-AEFFLSMTSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCC[C@@H]2CC[NH2+]C2)c1 ZINC000416977166 304359683 /nfs/dbraw/zinc/35/96/83/304359683.db2.gz SRNJSNXURXUSIA-HNNXBMFYSA-N 2 0 334.464 1.426 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C[NH2+]1 ZINC000416979753 304360392 /nfs/dbraw/zinc/36/03/92/304360392.db2.gz XJWTTXLREPAHJX-CABCVRRESA-N 2 0 334.464 1.519 20 0 EDADRP C[C@H]1C[N@H+](C[C@@H](O)COc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000355029079 150082704 /nfs/dbraw/zinc/08/27/04/150082704.db2.gz ITNDMZGPYCMYGQ-PKOBYXMFSA-N 2 0 347.503 1.527 20 0 EDADRP CC[C@@H](CCO)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000355206914 150165220 /nfs/dbraw/zinc/16/52/20/150165220.db2.gz RBCUWPVMWQSUTF-INIZCTEOSA-N 2 0 349.479 1.054 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C)C(C)C ZINC000355265661 150191350 /nfs/dbraw/zinc/19/13/50/150191350.db2.gz NQWSIQKWSZZODE-HNNXBMFYSA-N 2 0 328.501 1.020 20 0 EDADRP CC(C)N1CC[C@@H]([NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)C1=O ZINC000355550221 150310034 /nfs/dbraw/zinc/31/00/34/150310034.db2.gz GBNIASZUVMBKPV-JFIYKMOQSA-N 2 0 337.508 1.817 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)[NH+]1CCN(C)CC1 ZINC000370015201 155282117 /nfs/dbraw/zinc/28/21/17/155282117.db2.gz BSZOMIKIMUEZCN-KSZLIROESA-N 2 0 336.524 1.249 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)c2cccc(CN3CCOCC3)c2)CC[N@@H+]1C ZINC000357407940 151022782 /nfs/dbraw/zinc/02/27/82/151022782.db2.gz FXQKECVMXMPULD-YJBOKZPZSA-N 2 0 331.460 1.731 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC[NH+](C)CC1 ZINC000357873522 151180031 /nfs/dbraw/zinc/18/00/31/151180031.db2.gz VAMMACGXDOZSPF-UKRRQHHQSA-N 2 0 340.537 1.596 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000417076207 304370346 /nfs/dbraw/zinc/37/03/46/304370346.db2.gz JZKSNPJIDXLPLU-VSZNYVQBSA-N 2 0 328.460 1.668 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@@H]2CCC[NH+](Cc3cccc(F)c3)C2)C1 ZINC000358059096 151251282 /nfs/dbraw/zinc/25/12/82/151251282.db2.gz DCZJBHWUIFYMMC-VQIMIIECSA-N 2 0 349.450 1.221 20 0 EDADRP C[C@@H](NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C(C)(C)C[NH+](C)C ZINC000358830854 151511889 /nfs/dbraw/zinc/51/18/89/151511889.db2.gz RHAVIUVCIGLLLN-ZIAGYGMSSA-N 2 0 342.528 1.171 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360756983 152190585 /nfs/dbraw/zinc/19/05/85/152190585.db2.gz WRKQAERYWMUENN-ZBFHGGJFSA-N 2 0 328.526 1.405 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN(CCOC(C)C)CC1 ZINC000360795684 152208554 /nfs/dbraw/zinc/20/85/54/152208554.db2.gz FDLJGIIYINAONU-KRWDZBQOSA-N 2 0 342.528 1.859 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000360889937 152243013 /nfs/dbraw/zinc/24/30/13/152243013.db2.gz VOJOMSBQLZNXIJ-ULQDDVLXSA-N 2 0 342.528 1.593 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NC1CC[NH+](CC2CC2)CC1 ZINC000417149987 304378122 /nfs/dbraw/zinc/37/81/22/304378122.db2.gz GBEBBUMALGAKEU-UHFFFAOYSA-N 2 0 345.491 1.735 20 0 EDADRP O=C(NCCC[C@H]1CCC[NH2+]1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417164925 304379765 /nfs/dbraw/zinc/37/97/65/304379765.db2.gz WUNUYROBFPVBOJ-QGZVFWFLSA-N 2 0 345.491 1.877 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000417170101 304380315 /nfs/dbraw/zinc/38/03/15/304380315.db2.gz DZJUSNQBNHOFOT-CRAIPNDOSA-N 2 0 346.475 1.398 20 0 EDADRP CN1CCC([NH+]2CCC(CC[NH2+]CN3CCC(=O)CC3)CC2)CC1 ZINC000363926602 153098870 /nfs/dbraw/zinc/09/88/70/153098870.db2.gz JTWOFMWTVWSHFT-UHFFFAOYSA-N 2 0 336.524 1.395 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)/C=C/C[NH+](C)C)CC2)C[C@H](C)O1 ZINC000364250332 153186005 /nfs/dbraw/zinc/18/60/05/153186005.db2.gz SXKYKWXKOZROCS-CSLAMCDYSA-N 2 0 337.508 1.842 20 0 EDADRP CC[NH+](CC)CCC[N@H+](C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000364352843 153214036 /nfs/dbraw/zinc/21/40/36/153214036.db2.gz KZKBGKJYVGITAS-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP C[N@H+](C[C@H]1CC12CCN(C(=O)c1[nH]nc3c1C[NH2+]CC3)CC2)C1CC1 ZINC000364738274 153320041 /nfs/dbraw/zinc/32/00/41/153320041.db2.gz UTESOVFUAJMKCR-CYBMUJFWSA-N 2 0 343.475 1.392 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC1CC[NH+](Cc2cccs2)CC1 ZINC000364863237 153354707 /nfs/dbraw/zinc/35/47/07/153354707.db2.gz BENUVPXSGGJJRW-AWEZNQCLSA-N 2 0 339.530 1.924 20 0 EDADRP C[N@H+](C[C@H]1CC12CC[NH+](C[C@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208005 154041914 /nfs/dbraw/zinc/04/19/14/154041914.db2.gz FWXKSINNJBQTGI-WBVHZDCISA-N 2 0 335.492 1.166 20 0 EDADRP Cc1cnn(C)c1C[NH2+]CCN1CCN(C)C[C@@H]1c1ccccc1 ZINC000367532075 154164015 /nfs/dbraw/zinc/16/40/15/154164015.db2.gz XDWWTBZAXWBJHR-LJQANCHMSA-N 2 0 327.476 1.807 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CC2CC[NH2+]CC2)cc1 ZINC000367594283 154191904 /nfs/dbraw/zinc/19/19/04/154191904.db2.gz PNPVWZMGNPENGT-ZWKOTPCHSA-N 2 0 331.460 1.647 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[C@@H]2CSCC[NH2+]2)cc1 ZINC000367595024 154192725 /nfs/dbraw/zinc/19/27/25/154192725.db2.gz UVOHQYYSYKYEKK-HYVNUMGLSA-N 2 0 349.500 1.352 20 0 EDADRP C[NH+]1CCN(C[C@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000367624525 154204117 /nfs/dbraw/zinc/20/41/17/154204117.db2.gz VXUOWNPLMWRGQT-VQIMIIECSA-N 2 0 335.467 1.819 20 0 EDADRP Cc1nccc(N2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)n1 ZINC000367956046 154342705 /nfs/dbraw/zinc/34/27/05/154342705.db2.gz LWJGAAJGGCXIDJ-SFHVURJKSA-N 2 0 349.454 1.646 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417342042 304392767 /nfs/dbraw/zinc/39/27/67/304392767.db2.gz OLGSVUMVOKNNLA-IIDMSEBBSA-N 2 0 330.476 1.860 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[C@H]1[NH3+] ZINC000417359307 304394939 /nfs/dbraw/zinc/39/49/39/304394939.db2.gz ILSSMXDAFWBQER-GDBMZVCRSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)C1=CC[N@H+](C)CC1 ZINC000371582383 156015351 /nfs/dbraw/zinc/01/53/51/156015351.db2.gz VAJXLJMVEWRUFB-MAUKXSAKSA-N 2 0 328.460 1.813 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000371775371 156100491 /nfs/dbraw/zinc/10/04/91/156100491.db2.gz XXQNTRSFLNRGRR-MANSERQUSA-N 2 0 343.471 1.344 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(c2c[nH]cn2)CC1 ZINC000371905437 156160342 /nfs/dbraw/zinc/16/03/42/156160342.db2.gz AXTBIXWNLQHDMO-HNNXBMFYSA-N 2 0 335.452 1.410 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000377935114 158033315 /nfs/dbraw/zinc/03/33/15/158033315.db2.gz CXCAYYVELHZAQY-ICUGJSFKSA-N 2 0 337.508 1.722 20 0 EDADRP COCC[C@]1(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC[NH2+]C1 ZINC000378200343 158106230 /nfs/dbraw/zinc/10/62/30/158106230.db2.gz BLLDVHRKSWWPKE-FAFZWHIHSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)C1 ZINC000378206009 158109337 /nfs/dbraw/zinc/10/93/37/158109337.db2.gz OPKCMODLJNCIJD-HQSKLWIPSA-N 2 0 334.508 1.146 20 0 EDADRP CC[C@]1(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC[NH2+]C1 ZINC000378228877 158116286 /nfs/dbraw/zinc/11/62/86/158116286.db2.gz YEQODXIQCQQEPZ-KSSFIOAISA-N 2 0 332.448 1.313 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000378435128 158172314 /nfs/dbraw/zinc/17/23/14/158172314.db2.gz MTFYWXKQYSKOSJ-SFHVURJKSA-N 2 0 345.487 1.917 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000352207927 162050897 /nfs/dbraw/zinc/05/08/97/162050897.db2.gz GJQOEDOMDKVFGS-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000352208706 162051901 /nfs/dbraw/zinc/05/19/01/162051901.db2.gz RZODFBPYGJTTIN-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP c1ccc(-c2noc(CCC[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000352494474 162210948 /nfs/dbraw/zinc/21/09/48/162210948.db2.gz CEPKEQSCIKNTIK-KRWDZBQOSA-N 2 0 341.459 1.649 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000352499819 162214926 /nfs/dbraw/zinc/21/49/26/162214926.db2.gz LWMFYBMNIHRZJC-INIZCTEOSA-N 2 0 339.505 1.901 20 0 EDADRP CSc1ccccc1NC(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352504834 162217709 /nfs/dbraw/zinc/21/77/09/162217709.db2.gz VFLJTRXAESLYNH-OAHLLOKOSA-N 2 0 348.516 1.717 20 0 EDADRP Cc1cc(C)n(-c2ccc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000352525091 162231006 /nfs/dbraw/zinc/23/10/06/162231006.db2.gz DMQLRJAWKZZJQP-FQEVSTJZSA-N 2 0 339.487 1.969 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC[S@](=O)c2ccccc2)CC1 ZINC000357652257 162286972 /nfs/dbraw/zinc/28/69/72/162286972.db2.gz VBCZOOPJOUANDW-HJPURHCSSA-N 2 0 338.517 1.819 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000418185830 304461911 /nfs/dbraw/zinc/46/19/11/304461911.db2.gz BMBIHHLISBVPBO-HNNXBMFYSA-N 2 0 349.479 1.292 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1)[NH+](C)C ZINC000418192068 304463415 /nfs/dbraw/zinc/46/34/15/304463415.db2.gz YFRSUOPNRSSVJB-UXLLHSPISA-N 2 0 334.464 1.274 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC(=O)N(C)C2)CC1 ZINC000088727563 287319533 /nfs/dbraw/zinc/31/95/33/287319533.db2.gz AIOBVQQFWLEMKP-GOSISDBHSA-N 2 0 344.503 1.929 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH3+])CCCCC1 ZINC000418297930 304476513 /nfs/dbraw/zinc/47/65/13/304476513.db2.gz PDTGOGYGKGNCNV-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N[C@@H](C)[C@@H](C)N2CCOCC2)C1 ZINC000121220928 287369418 /nfs/dbraw/zinc/36/94/18/287369418.db2.gz VBYXTCOPNGNCDH-QXSJWSMHSA-N 2 0 326.485 1.124 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000122806893 287383395 /nfs/dbraw/zinc/38/33/95/287383395.db2.gz NPKWNDNJCBXDKE-JKSUJKDBSA-N 2 0 340.512 1.659 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418336960 304482636 /nfs/dbraw/zinc/48/26/36/304482636.db2.gz IODRIHPPGMCQDB-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000665761356 452334283 /nfs/dbraw/zinc/33/42/83/452334283.db2.gz AKWWDDXKEQIQOU-INIZCTEOSA-N 2 0 341.544 1.384 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418401098 304491901 /nfs/dbraw/zinc/49/19/01/304491901.db2.gz MZQRPKZEMBSLOX-MRXNPFEDSA-N 2 0 340.418 1.775 20 0 EDADRP Cc1cc(F)ccc1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000130536770 287494520 /nfs/dbraw/zinc/49/45/20/287494520.db2.gz SYNPXURVTSHWPF-UHFFFAOYSA-N 2 0 338.427 1.024 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)CC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000237282545 273008744 /nfs/dbraw/zinc/00/87/44/273008744.db2.gz FLVJASFRWZSAND-QGZVFWFLSA-N 2 0 332.492 1.479 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268804854 273022228 /nfs/dbraw/zinc/02/22/28/273022228.db2.gz KMNDCSPZWLFRCO-QWFCFKBJSA-N 4 0 345.535 1.912 20 0 EDADRP C[C@H](C[NH3+])NC(=O)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000274381107 268131977 /nfs/dbraw/zinc/13/19/77/268131977.db2.gz AXWMOBXQTAUOGR-IUODEOHRSA-N 2 0 329.366 1.904 20 0 EDADRP CS[C@H]1CN(C(=O)c2cnccc2N(C)C)C[C@@H]1[NH+]1CCCC1 ZINC000275075463 268276243 /nfs/dbraw/zinc/27/62/43/268276243.db2.gz CMOHLJUEIYZVDO-HOTGVXAUSA-N 2 0 334.489 1.799 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2cc([C@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000278984904 268761695 /nfs/dbraw/zinc/76/16/95/268761695.db2.gz KIDKXAREXMMVOR-ZDUSSCGKSA-N 2 0 343.431 1.679 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+]CC1(O)CC[NH+](C(C)C)CC1 ZINC000657906546 452604391 /nfs/dbraw/zinc/60/43/91/452604391.db2.gz UIDXCQKALJAVDN-KRWDZBQOSA-N 2 0 328.497 1.643 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279118717 273280931 /nfs/dbraw/zinc/28/09/31/273280931.db2.gz WVGHMOXODWNKEI-SFHVURJKSA-N 2 0 328.460 1.789 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282207912 273607184 /nfs/dbraw/zinc/60/71/84/273607184.db2.gz ITEQBEILUDVGIZ-CQSZACIVSA-N 2 0 333.505 1.874 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1ccncc1 ZINC000263644611 276370781 /nfs/dbraw/zinc/37/07/81/276370781.db2.gz BVCMIDPVERMWLY-GOSISDBHSA-N 2 0 332.492 1.889 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000341868306 277223218 /nfs/dbraw/zinc/22/32/18/277223218.db2.gz GWLPPIDLAXMXKL-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000359338529 277305375 /nfs/dbraw/zinc/30/53/75/277305375.db2.gz BXVMFYAYPRBEKL-FGTMMUONSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H](C(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)C1C[NH2+]C1 ZINC000357260399 278136694 /nfs/dbraw/zinc/13/66/94/278136694.db2.gz VWPNKQDVZNMKNT-OAGGEKHMSA-N 2 0 337.508 1.580 20 0 EDADRP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CNS(C)(=O)=O)CC1 ZINC000337528698 278342116 /nfs/dbraw/zinc/34/21/16/278342116.db2.gz CNTFIOWWWBYDEL-HIFRSBDPSA-N 2 0 331.526 1.557 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)CC[C@H]1[NH3+] ZINC000262027188 278673685 /nfs/dbraw/zinc/67/36/85/278673685.db2.gz ZZUCEAMTAOBOGZ-YVLXSGLVSA-N 2 0 340.265 1.819 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)NC[C@@H]1CCC[N@@H+]1CC(C)C ZINC000359552045 279142062 /nfs/dbraw/zinc/14/20/62/279142062.db2.gz BTNVVEKRGHDXTC-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366034825 279265595 /nfs/dbraw/zinc/26/55/95/279265595.db2.gz SMWWLCFOOQNXID-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000354556543 279277336 /nfs/dbraw/zinc/27/73/36/279277336.db2.gz SYEHGXFCQWMMJR-FVQBIDKESA-N 2 0 326.485 1.004 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366034826 279277391 /nfs/dbraw/zinc/27/73/91/279277391.db2.gz SMWWLCFOOQNXID-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000106521828 279312079 /nfs/dbraw/zinc/31/20/79/279312079.db2.gz DNJKYZQTMCANEJ-QGZVFWFLSA-N 2 0 339.528 1.044 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccccc1 ZINC000072067281 279330130 /nfs/dbraw/zinc/33/01/30/279330130.db2.gz BHLFXZZSKLXJFO-INIZCTEOSA-N 2 0 339.505 1.723 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000458433287 279353885 /nfs/dbraw/zinc/35/38/85/279353885.db2.gz IXMABPKUXJOMBW-JKSUJKDBSA-N 2 0 339.528 1.184 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H](C)C[NH2+]C)CC1 ZINC000178873927 279363400 /nfs/dbraw/zinc/36/34/00/279363400.db2.gz BSMKHSFXOJJJJT-INIZCTEOSA-N 2 0 332.492 1.296 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000124133907 280074334 /nfs/dbraw/zinc/07/43/34/280074334.db2.gz FXMQWUGDFXNZGF-FUHWJXTLSA-N 2 0 335.492 1.432 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000342567975 288307319 /nfs/dbraw/zinc/30/73/19/288307319.db2.gz LTXHSZMQFDTFBN-PVAVHDDUSA-N 2 0 337.533 1.899 20 0 EDADRP C[C@H](NC(=O)NCC1(O)CC[NH+](C)CC1)[C@H](c1ccccc1)[NH+](C)C ZINC000287930916 288359681 /nfs/dbraw/zinc/35/96/81/288359681.db2.gz GMDLVGZOBXEWFH-DOTOQJQBSA-N 2 0 348.491 1.434 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000347405847 282023985 /nfs/dbraw/zinc/02/39/85/282023985.db2.gz ZGAZPQGGMOZJNQ-HZPDHXFCSA-N 2 0 326.529 1.541 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000288553114 288512865 /nfs/dbraw/zinc/51/28/65/288512865.db2.gz VTNWKSJPXCQBFI-WBVHZDCISA-N 2 0 346.475 1.721 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000290227261 288861870 /nfs/dbraw/zinc/86/18/70/288861870.db2.gz RKQVEAUDEAPTKV-RTBURBONSA-N 2 0 347.503 1.920 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)n(C)c1C ZINC000291330574 289039364 /nfs/dbraw/zinc/03/93/64/289039364.db2.gz ZYEYKHUNXTVEFM-CQSZACIVSA-N 2 0 336.480 1.093 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCCC[C@H]1O ZINC000343396640 289114160 /nfs/dbraw/zinc/11/41/60/289114160.db2.gz CABIDWUVFBMNDN-DLBZAZTESA-N 2 0 327.513 1.660 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418200478 289172347 /nfs/dbraw/zinc/17/23/47/289172347.db2.gz YOGULDWFKTWOSR-HNNXBMFYSA-N 2 0 335.452 1.045 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)c1 ZINC000156408447 289225416 /nfs/dbraw/zinc/22/54/16/289225416.db2.gz XHXUDLPCCIWDIK-GOSISDBHSA-N 2 0 345.487 1.933 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417015498 293290111 /nfs/dbraw/zinc/29/01/11/293290111.db2.gz MOXNZSSVVNXAIK-HLLBOEOZSA-N 2 0 326.485 1.175 20 0 EDADRP COc1ccc(C[C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)c(C)c1OC ZINC000353531016 295137527 /nfs/dbraw/zinc/13/75/27/295137527.db2.gz NUUZLHYTZNEBBM-CQSZACIVSA-N 2 0 336.476 1.990 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000423897686 295241595 /nfs/dbraw/zinc/24/15/95/295241595.db2.gz OVYAYTGPPBMVKU-YJBOKZPZSA-N 2 0 331.460 1.948 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000333304115 295621450 /nfs/dbraw/zinc/62/14/50/295621450.db2.gz JGJGFKRULYENGQ-SFHVURJKSA-N 2 0 349.523 1.083 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000418578757 304514843 /nfs/dbraw/zinc/51/48/43/304514843.db2.gz VXZSWNBLGUJREB-JKSUJKDBSA-N 3 0 327.517 1.042 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418627618 304520691 /nfs/dbraw/zinc/52/06/91/304520691.db2.gz BAFWJWCPOOWTRE-MAUKXSAKSA-N 2 0 330.476 1.999 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)[NH+](C)C)cc1 ZINC000418818593 304535437 /nfs/dbraw/zinc/53/54/37/304535437.db2.gz NNCOCODXGUHOAM-DLBZAZTESA-N 2 0 348.491 1.204 20 0 EDADRP C[C@H](C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000362942968 298163910 /nfs/dbraw/zinc/16/39/10/298163910.db2.gz RSRHYCQNNJBPFW-ILOCAZANSA-N 2 0 337.508 1.865 20 0 EDADRP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1Cc1cc(=O)n(C)c(=O)n1C ZINC000377716017 447311240 /nfs/dbraw/zinc/31/12/40/447311240.db2.gz DTVXGDNBEWMSHA-AWEZNQCLSA-N 2 0 345.447 1.069 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420291754 304743738 /nfs/dbraw/zinc/74/37/38/304743738.db2.gz KRMLGZQEHUNAIY-YJBOKZPZSA-N 3 0 332.492 1.465 20 0 EDADRP Cc1ccc(OCC(=O)N2CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420296090 304744607 /nfs/dbraw/zinc/74/46/07/304744607.db2.gz DAPUUMKCWRQYPH-SFHVURJKSA-N 2 0 345.487 1.908 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000294915841 303154740 /nfs/dbraw/zinc/15/47/40/303154740.db2.gz AMMIAJCIVTXDLX-GFCCVEGCSA-N 2 0 325.403 1.996 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000294981199 303159282 /nfs/dbraw/zinc/15/92/82/303159282.db2.gz GXQUSUFSPMWYCP-DLBZAZTESA-N 2 0 346.475 1.054 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000297232884 303376411 /nfs/dbraw/zinc/37/64/11/303376411.db2.gz NICUULWAAKMOTN-MAUKXSAKSA-N 2 0 348.491 1.045 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000378148318 303756146 /nfs/dbraw/zinc/75/61/46/303756146.db2.gz HMCUCIBWZBKZFY-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414880665 447340106 /nfs/dbraw/zinc/34/01/06/447340106.db2.gz QXALTWAYSHPQFX-UHFFFAOYSA-N 2 0 332.448 1.119 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000414889351 447345173 /nfs/dbraw/zinc/34/51/73/447345173.db2.gz SMKOQQDVIXERBN-CQSZACIVSA-N 2 0 342.390 1.746 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422744093 304879523 /nfs/dbraw/zinc/87/95/23/304879523.db2.gz SGSCZMCJKKIXNX-IPELMVKDSA-N 3 0 335.492 1.511 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423111388 304886913 /nfs/dbraw/zinc/88/69/13/304886913.db2.gz WLSXAFLBHRQRHG-LLVKDONJSA-N 2 0 335.420 1.350 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423117240 304887457 /nfs/dbraw/zinc/88/74/57/304887457.db2.gz UJKFFVRLZVQTHU-VHSXEESVSA-N 2 0 337.848 1.473 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000423191454 304889038 /nfs/dbraw/zinc/88/90/38/304889038.db2.gz SYMWCIAHIMJZFU-HUUCEWRRSA-N 3 0 332.492 1.599 20 0 EDADRP Cc1ccc(S(=O)(=O)C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423194337 304889078 /nfs/dbraw/zinc/88/90/78/304889078.db2.gz XTYXQKYYHYURPK-MRXNPFEDSA-N 2 0 339.505 1.042 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]CCCN2CC[NH2+]CC2)c(C)c1OC ZINC000423195277 304889090 /nfs/dbraw/zinc/88/90/90/304889090.db2.gz ZFGARZLFCBVJEO-HNNXBMFYSA-N 2 0 335.492 1.828 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000423725542 304906018 /nfs/dbraw/zinc/90/60/18/304906018.db2.gz JCRLYQFWDGYZQA-KRWDZBQOSA-N 2 0 339.443 1.862 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000423741070 304907228 /nfs/dbraw/zinc/90/72/28/304907228.db2.gz XTQQWWFHXKMPIP-INIZCTEOSA-N 2 0 342.447 1.194 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)C1 ZINC000424009982 304924869 /nfs/dbraw/zinc/92/48/69/304924869.db2.gz KHILHPHJKYHSDR-DODZYUBVSA-N 2 0 335.492 1.511 20 0 EDADRP COC[C@@H](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017022 304925444 /nfs/dbraw/zinc/92/54/44/304925444.db2.gz FLYXVAOETCMRHG-INIZCTEOSA-N 2 0 333.476 1.769 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000430386405 305052212 /nfs/dbraw/zinc/05/22/12/305052212.db2.gz QRAKVPQNFBBEBK-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@H](C(=O)NC1CCC(C)CC1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430586504 305057301 /nfs/dbraw/zinc/05/73/01/305057301.db2.gz SZYHNDDUGDIGJO-HWOWSKLDSA-N 2 0 325.497 1.900 20 0 EDADRP NC(=O)C1CC[NH+](CCc2ccc(NC(=O)CCC[NH3+])cc2)CC1 ZINC000430872191 305066598 /nfs/dbraw/zinc/06/65/98/305066598.db2.gz GQVXKQPBEKTANS-UHFFFAOYSA-N 2 0 332.448 1.104 20 0 EDADRP Cc1c(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)nnn1C1CC[NH2+]CC1 ZINC000430878669 305066671 /nfs/dbraw/zinc/06/66/71/305066671.db2.gz KAYXGRGJKUEPNN-ZIAGYGMSSA-N 2 0 348.495 1.504 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NCCCOC2CCCCC2)CC1 ZINC000430966859 305071496 /nfs/dbraw/zinc/07/14/96/305071496.db2.gz QJUDVWLXPZLHFO-OAHLLOKOSA-N 2 0 325.497 1.901 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000431015216 305072859 /nfs/dbraw/zinc/07/28/59/305072859.db2.gz SNALIUHFXQNBAL-QZTJIDSGSA-N 2 0 338.540 1.818 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)[C@@]3(C)CC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000431030340 305073066 /nfs/dbraw/zinc/07/30/66/305073066.db2.gz LXNGUQNCMPSZIX-MDZRGWNJSA-N 2 0 337.508 1.724 20 0 EDADRP CC(=O)Nc1ccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433110472 305100493 /nfs/dbraw/zinc/10/04/93/305100493.db2.gz ATRLGFXFYNLHDB-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP CC(C)[N@H+]1C[C@H](NS(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC000433870544 305114217 /nfs/dbraw/zinc/11/42/17/305114217.db2.gz RCEZBTCEOOECQZ-YOEHRIQHSA-N 2 0 339.505 1.755 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)[C@H]1C ZINC000434670618 305126888 /nfs/dbraw/zinc/12/68/88/305126888.db2.gz DAVGENBAWMFMOE-MSOLQXFVSA-N 2 0 344.503 1.798 20 0 EDADRP Cn1c(CC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])nc2ccccc21 ZINC000436061740 305151818 /nfs/dbraw/zinc/15/18/18/305151818.db2.gz IDIUXWCZEACUMG-OAHLLOKOSA-N 2 0 343.475 1.435 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458407526 447349321 /nfs/dbraw/zinc/34/93/21/447349321.db2.gz DEKBVOLLNGPHHN-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442758956 305229665 /nfs/dbraw/zinc/22/96/65/305229665.db2.gz CAIMSJFMPBSUNA-OAGGEKHMSA-N 2 0 346.475 1.098 20 0 EDADRP Cc1cccc(C)c1OCCNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066466 305234294 /nfs/dbraw/zinc/23/42/94/305234294.db2.gz FEHREAXWWYDJAY-QGZVFWFLSA-N 2 0 333.476 1.859 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[NH+](CC3CCOCC3)CC2)CCC1 ZINC000446621126 305268063 /nfs/dbraw/zinc/26/80/63/305268063.db2.gz UZJGOCFAPYYZAT-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP COCC[C@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000447390148 305279687 /nfs/dbraw/zinc/27/96/87/305279687.db2.gz DNBRHVAYPFCNFC-HKUYNNGSSA-N 2 0 349.475 1.191 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000447724048 305284442 /nfs/dbraw/zinc/28/44/42/305284442.db2.gz SULIVPAFEBKNIL-KRWDZBQOSA-N 2 0 346.475 1.648 20 0 EDADRP C[C@H]1CSC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449177521 305308907 /nfs/dbraw/zinc/30/89/07/305308907.db2.gz PWNASGQFWZWHHR-ZFWWWQNUSA-N 2 0 327.538 1.954 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCCO1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000449714151 305317929 /nfs/dbraw/zinc/31/79/29/305317929.db2.gz ZSPPTKLPGHYMKK-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000451590928 305355407 /nfs/dbraw/zinc/35/54/07/305355407.db2.gz MGCHISVOPDPZMT-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2[C@@H](C)CCC2(C)C)C1 ZINC000452009519 305378084 /nfs/dbraw/zinc/37/80/84/305378084.db2.gz UVIBHURAHIPLPD-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452169533 305385593 /nfs/dbraw/zinc/38/55/93/305385593.db2.gz GEINFWOSYRWYBA-CRAIPNDOSA-N 2 0 337.508 1.722 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)c1ccc(C[NH+]2CCCC2)cc1 ZINC000452365048 305393105 /nfs/dbraw/zinc/39/31/05/305393105.db2.gz NCOSHXDTBWBGLD-LJQANCHMSA-N 2 0 345.487 1.859 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000455434811 305441483 /nfs/dbraw/zinc/44/14/83/305441483.db2.gz QVXYTTRZUZYIDJ-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N1CCC([NH2+]C(C)C)CC1 ZINC000459899127 305528284 /nfs/dbraw/zinc/52/82/84/305528284.db2.gz HJQWMXPHBLFYDG-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)C2)cn1 ZINC000425892849 447352571 /nfs/dbraw/zinc/35/25/71/447352571.db2.gz BUXPIGKNIAHXLG-HNNXBMFYSA-N 2 0 344.463 1.634 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC3CC[NH2+]CC3)c2)CC1 ZINC000515654093 305726198 /nfs/dbraw/zinc/72/61/98/305726198.db2.gz DZWQKCHCKYOOCM-UHFFFAOYSA-N 2 0 330.476 1.163 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CC[NH2+]C1CC1 ZINC000521370356 305788922 /nfs/dbraw/zinc/78/89/22/305788922.db2.gz QWXKUAXBHWBQHD-UHFFFAOYSA-N 2 0 325.403 1.997 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414932681 447361929 /nfs/dbraw/zinc/36/19/29/447361929.db2.gz DCQQFFNBAYFCDW-SWLSCSKDSA-N 2 0 330.432 1.086 20 0 EDADRP COc1ccc(-n2cc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)cn2)cc1 ZINC000449127803 447364476 /nfs/dbraw/zinc/36/44/76/447364476.db2.gz XSCIZIKOHHUGEQ-MRXNPFEDSA-N 2 0 343.475 1.606 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530238381 305935395 /nfs/dbraw/zinc/93/53/95/305935395.db2.gz MZJVUNKAYDXWEG-KRWDZBQOSA-N 2 0 325.497 1.722 20 0 EDADRP CN(CC[NH+](C)C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000531347041 305957836 /nfs/dbraw/zinc/95/78/36/305957836.db2.gz VSQAFCXDUUINQS-SFHVURJKSA-N 2 0 347.507 1.178 20 0 EDADRP Cc1[nH]nc2ncc(C[N@H+]3CC[C@@H](N4CC[NH+](C(C)C)CC4)C3)cc12 ZINC000536665058 306024632 /nfs/dbraw/zinc/02/46/32/306024632.db2.gz OKABEIGJJHTDIW-QGZVFWFLSA-N 2 0 342.491 1.867 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)CCC[NH+](C)C)[C@@H](C)C1 ZINC000544667236 306077674 /nfs/dbraw/zinc/07/76/74/306077674.db2.gz XPXBNFYCVCPBCS-IRXDYDNUSA-N 2 0 342.528 1.717 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000546015760 306089826 /nfs/dbraw/zinc/08/98/26/306089826.db2.gz OSTKTBKIUVQQBF-MRXNPFEDSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CCN(C)c1cc[nH+]cc1 ZINC000547727430 306110135 /nfs/dbraw/zinc/11/01/35/306110135.db2.gz RODZBAUFVWUUQW-HNNXBMFYSA-N 2 0 334.464 1.212 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(OC(F)F)nc1 ZINC000549100682 306144541 /nfs/dbraw/zinc/14/45/41/306144541.db2.gz FOOQLQQUGGZKNX-UHFFFAOYSA-N 2 0 345.394 1.640 20 0 EDADRP CC(C)C[C@H]([NH2+]Cc1ccc2c(n1)CCC2)C(=O)NCC[NH+](C)C ZINC000556784964 306217990 /nfs/dbraw/zinc/21/79/90/306217990.db2.gz HLUQVYFQQLQNHB-SFHVURJKSA-N 2 0 332.492 1.752 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1 ZINC000414953085 447372885 /nfs/dbraw/zinc/37/28/85/447372885.db2.gz ADDQOQIVRFWBLM-ZDUSSCGKSA-N 2 0 334.464 1.437 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000456392953 447385595 /nfs/dbraw/zinc/38/55/95/447385595.db2.gz XNYZFOWHRBTFDQ-MRXNPFEDSA-N 2 0 334.464 1.578 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C(C)C ZINC000458496184 447388867 /nfs/dbraw/zinc/38/88/67/447388867.db2.gz JKUVCHDNGSXXOZ-QGZVFWFLSA-N 2 0 342.528 1.641 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000458511817 447395755 /nfs/dbraw/zinc/39/57/55/447395755.db2.gz NUTPOHRZHSSKHV-INIZCTEOSA-N 2 0 330.542 1.843 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000415393793 447414075 /nfs/dbraw/zinc/41/40/75/447414075.db2.gz ZSSKSLFGBKAQGX-ZDUSSCGKSA-N 2 0 332.448 1.273 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000422235463 447415139 /nfs/dbraw/zinc/41/51/39/447415139.db2.gz FXVPWKAETPEXND-KLAILNCOSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458588808 447423531 /nfs/dbraw/zinc/42/35/31/447423531.db2.gz YKQWASVVOOPGJZ-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)[C@H](C)[NH3+] ZINC000493962554 447421753 /nfs/dbraw/zinc/42/17/53/447421753.db2.gz VHXIBYKDNFLXTJ-KGLIPLIRSA-N 2 0 346.475 1.348 20 0 EDADRP CCN(C(=O)C(=O)NCCC[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000419828436 447436402 /nfs/dbraw/zinc/43/64/02/447436402.db2.gz CVWGSHXHVFWLIL-RDJZCZTQSA-N 2 0 346.475 1.135 20 0 EDADRP CC(C)CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC1 ZINC000045751809 441031541 /nfs/dbraw/zinc/03/15/41/441031541.db2.gz LCHSXZBPECGAHH-SFHVURJKSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccccc1Cl ZINC000104102551 441190435 /nfs/dbraw/zinc/19/04/35/441190435.db2.gz AGXOVRUUVHZEOY-UHFFFAOYSA-N 2 0 333.885 1.454 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000081119603 441234839 /nfs/dbraw/zinc/23/48/39/441234839.db2.gz VGNAHVRLXFXXNN-ROUUACIJSA-N 2 0 334.508 1.101 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073643870 441338090 /nfs/dbraw/zinc/33/80/90/441338090.db2.gz MAWYNLYAHXQUSB-KRWDZBQOSA-N 2 0 332.492 1.655 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000106547568 441354284 /nfs/dbraw/zinc/35/42/84/441354284.db2.gz YGDPNWDLJGAZBL-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP C[C@H](CNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1)[NH+]1CCC(C)CC1 ZINC000106547566 441354609 /nfs/dbraw/zinc/35/46/09/441354609.db2.gz YGDPNWDLJGAZBL-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CC(=O)NC2CCOCC2)CC1 ZINC000075007526 441485144 /nfs/dbraw/zinc/48/51/44/441485144.db2.gz GPAGJEHOTMPEMR-UHFFFAOYSA-N 2 0 341.496 1.104 20 0 EDADRP O[C@@H]1C[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[NH+](Cc2ccccc2)C1 ZINC000090913782 441645440 /nfs/dbraw/zinc/64/54/40/441645440.db2.gz XMZDURYVJXGYTD-UAFMIMERSA-N 2 0 329.488 1.838 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC[C@@H]2Cc3ccccc3O2)CC1 ZINC000121659029 441752998 /nfs/dbraw/zinc/75/29/98/441752998.db2.gz AQKZSOICHLTJKF-SFHVURJKSA-N 2 0 345.487 1.770 20 0 EDADRP CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173951158 441869121 /nfs/dbraw/zinc/86/91/21/441869121.db2.gz TVHQOMFQFAGULI-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@](C)(CO)C2CCCCC2)CC1 ZINC000077656819 441823209 /nfs/dbraw/zinc/82/32/09/441823209.db2.gz ISQBLPPLAHGXJM-GOSISDBHSA-N 2 0 325.497 1.508 20 0 EDADRP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC(=O)N1CCOCC1 ZINC000092821079 441828857 /nfs/dbraw/zinc/82/88/57/441828857.db2.gz IGSLAYHZRAJKOD-UHFFFAOYSA-N 2 0 346.475 1.479 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CN(C)CCO1 ZINC000122218711 441840319 /nfs/dbraw/zinc/84/03/19/441840319.db2.gz ZRLFNXXRLPMVJP-NUJGCVRESA-N 2 0 345.487 1.590 20 0 EDADRP CC[N@H+](C)CCNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000116763315 441840589 /nfs/dbraw/zinc/84/05/89/441840589.db2.gz UETFFAQSXVEIFW-UHFFFAOYSA-N 2 0 332.492 1.657 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC3(CCCC3)C2)C1 ZINC000174272139 441908774 /nfs/dbraw/zinc/90/87/74/441908774.db2.gz COMQDDMZBCWXHC-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(=O)NC(N)=O ZINC000174155647 441894420 /nfs/dbraw/zinc/89/44/20/441894420.db2.gz IIGFQHPVEHBXCY-CYBMUJFWSA-N 2 0 344.415 1.585 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000119522762 441939461 /nfs/dbraw/zinc/93/94/61/441939461.db2.gz YJZGKVXLSMWDHB-CQSZACIVSA-N 2 0 328.501 1.373 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)N1CC[NH+](C)CC1 ZINC000174603919 441942382 /nfs/dbraw/zinc/94/23/82/441942382.db2.gz IBTVIJSANOGADQ-MSOLQXFVSA-N 2 0 338.540 1.639 20 0 EDADRP c1nn(-c2ccncc2)c2ncnc(NCCCO[C@@H]3CCOC3)c12 ZINC000119703143 441946981 /nfs/dbraw/zinc/94/69/81/441946981.db2.gz IFTOCIPQLUQEIN-CQSZACIVSA-N 2 0 340.387 1.818 20 0 EDADRP Cc1cc(C)n(Cc2ccc(C(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)n1 ZINC000162285901 442079393 /nfs/dbraw/zinc/07/93/93/442079393.db2.gz QASDBODSTSCEJB-GOSISDBHSA-N 2 0 341.459 1.263 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175522740 442080410 /nfs/dbraw/zinc/08/04/10/442080410.db2.gz DUIGQWBTOKIXBK-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1cccc(F)c1 ZINC000163946011 442186256 /nfs/dbraw/zinc/18/62/56/442186256.db2.gz GAFOQFZIQMSGPX-WBVHZDCISA-N 2 0 346.406 1.533 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000164580199 442199552 /nfs/dbraw/zinc/19/95/52/442199552.db2.gz BFJUUTIECOSHLX-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2CNC(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000164848235 442203718 /nfs/dbraw/zinc/20/37/18/442203718.db2.gz OUZYEPPCQWJVFW-FCEWJHQRSA-N 2 0 345.487 1.769 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1)CN1CC[NH+](C)CC1 ZINC000120970452 442159817 /nfs/dbraw/zinc/15/98/17/442159817.db2.gz GPOHSOBAEXGCAR-CKNGIIGNSA-N 2 0 337.533 1.958 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000167414997 442221202 /nfs/dbraw/zinc/22/12/02/442221202.db2.gz VCDOBYRKPFTMQR-MSOLQXFVSA-N 2 0 345.487 1.777 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c1 ZINC000129163505 442304341 /nfs/dbraw/zinc/30/43/41/442304341.db2.gz DXROFSVCGATGAK-QGZVFWFLSA-N 2 0 331.460 1.543 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000153506374 442286586 /nfs/dbraw/zinc/28/65/86/442286586.db2.gz ZWZKJIXJFJCULD-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP C[N@H+](CC(=O)N1CCN(CCc2ccccc2)CC1)[C@@H]1CCSC1 ZINC000153786612 442302740 /nfs/dbraw/zinc/30/27/40/442302740.db2.gz QYLPUFSZWBPTSK-GOSISDBHSA-N 2 0 347.528 1.811 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NC[C@@H]2CCC[NH+]2CCOC)CC1 ZINC000153033064 442257400 /nfs/dbraw/zinc/25/74/00/442257400.db2.gz GYZCMUYBDVXZEM-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP CC[N@H+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CC1 ZINC000154741044 442354231 /nfs/dbraw/zinc/35/42/31/442354231.db2.gz DTNHWGYSUCMGAF-JWTNVVGKSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CCC2 ZINC000130521776 442348550 /nfs/dbraw/zinc/34/85/50/442348550.db2.gz OHRTXTJMZHGKMJ-UHFFFAOYSA-N 2 0 346.475 1.066 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000171788638 442381356 /nfs/dbraw/zinc/38/13/56/442381356.db2.gz GAOBXYUCJKCOIK-UHFFFAOYSA-N 2 0 347.507 1.849 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)C[C@H]2CSCC[NH2+]2)c1 ZINC000133440249 442418286 /nfs/dbraw/zinc/41/82/86/442418286.db2.gz IFYOXABZSAKVAJ-HNNXBMFYSA-N 2 0 337.489 1.338 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+](CC3CC3)CC2)CCOCC1 ZINC000172223617 442425845 /nfs/dbraw/zinc/42/58/45/442425845.db2.gz LJQXMBVEFVFODW-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000178666298 442454130 /nfs/dbraw/zinc/45/41/30/442454130.db2.gz QHXGKCVQVJVUEK-JQHSSLGASA-N 2 0 333.476 1.796 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000178874836 442510324 /nfs/dbraw/zinc/51/03/24/442510324.db2.gz QROWOLFHXPLASU-KRWDZBQOSA-N 2 0 330.476 1.457 20 0 EDADRP C[C@H](CNC(=O)N1CCC([N@H+](C)CCCO)CC1)C[NH+]1CCCC1 ZINC000172607285 442502493 /nfs/dbraw/zinc/50/24/93/442502493.db2.gz ZMFHGTXFXDFLKA-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H](C)C[NH2+]C)CC1 ZINC000178873935 442509870 /nfs/dbraw/zinc/50/98/70/442509870.db2.gz BSMKHSFXOJJJJT-MRXNPFEDSA-N 2 0 332.492 1.296 20 0 EDADRP C[C@@H](C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000179854532 442512605 /nfs/dbraw/zinc/51/26/05/442512605.db2.gz BREOGXJYGUKCHK-FCEWJHQRSA-N 2 0 347.503 1.874 20 0 EDADRP CSC[C@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000135487983 442602689 /nfs/dbraw/zinc/60/26/89/442602689.db2.gz ABZHMQIAJYUYSE-CVEARBPZSA-N 2 0 343.537 1.287 20 0 EDADRP CC[C@@H](CO)N1CCN(C(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000179409483 442643846 /nfs/dbraw/zinc/64/38/46/442643846.db2.gz QPAMEIABCRKSAB-OALUTQOASA-N 2 0 347.503 1.985 20 0 EDADRP C[NH+](C/C=C/C[N@@H+](C)C1(C(N)=O)CCCC1)C1(C(N)=O)CCCC1 ZINC000180696426 442648972 /nfs/dbraw/zinc/64/89/72/442648972.db2.gz MLMDDGTZEBPTAR-BQYQJAHWSA-N 2 0 336.480 1.002 20 0 EDADRP CC[C@]1(CO)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000187569218 442681525 /nfs/dbraw/zinc/68/15/25/442681525.db2.gz FGWGVBFCBLPALL-SFHVURJKSA-N 2 0 325.497 1.460 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)[NH+]1CCCC1 ZINC000187886866 442696897 /nfs/dbraw/zinc/69/68/97/442696897.db2.gz ZTMIMGQFHXTIQR-UAGQMJEPSA-N 2 0 347.459 1.325 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)c3ccc(CN4CC[NH+](C)CC4)cc3)C[C@H]2C1 ZINC000192531185 442659547 /nfs/dbraw/zinc/65/95/47/442659547.db2.gz LKRNZXWPHKGMIZ-KDURUIRLSA-N 2 0 342.487 1.068 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000192537892 442659775 /nfs/dbraw/zinc/65/97/75/442659775.db2.gz IGQPKNJSTCNUTI-FQEVSTJZSA-N 2 0 345.487 1.964 20 0 EDADRP OC(C[NH+](C[C@@H]1CCOC1)C1CC1)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000181780406 442715697 /nfs/dbraw/zinc/71/56/97/442715697.db2.gz UBIMGYGTKCULDQ-MCPYQZEQSA-N 2 0 338.492 1.349 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000193108319 442714019 /nfs/dbraw/zinc/71/40/19/442714019.db2.gz QWGBKLYTAMUHRA-ALOPSCKCSA-N 2 0 343.537 1.651 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)ncn1 ZINC000246497486 442786709 /nfs/dbraw/zinc/78/67/09/442786709.db2.gz SKLVSHHZLSPFBK-CAOSSQGBSA-N 2 0 332.496 1.805 20 0 EDADRP C[N@H+]1C[C@@H]2C[NH+](CCCCN3C(=O)c4ccccc4C3=O)C[C@@H]2C1 ZINC000193651959 442764145 /nfs/dbraw/zinc/76/41/45/442764145.db2.gz QTOTWHURCKEADK-GASCZTMLSA-N 2 0 327.428 1.556 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000247221947 442842244 /nfs/dbraw/zinc/84/22/44/442842244.db2.gz BXPALNLFGPUWED-HOTGVXAUSA-N 2 0 340.512 1.110 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2CCC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000268104136 442849731 /nfs/dbraw/zinc/84/97/31/442849731.db2.gz AXJCRNKCXFSBQW-WMZOPIPTSA-N 2 0 330.476 1.997 20 0 EDADRP C=Cn1cc(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000194179176 442857346 /nfs/dbraw/zinc/85/73/46/442857346.db2.gz WZSCYTUZCADNII-UHFFFAOYSA-N 2 0 325.460 1.891 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188996057 442857270 /nfs/dbraw/zinc/85/72/70/442857270.db2.gz MTVZZTCNEFVVDA-SUMWQHHRSA-N 2 0 334.439 1.856 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)Cc1ccccn1)C[NH+]1CCCC1 ZINC000171547053 318434485 /nfs/dbraw/zinc/43/44/85/318434485.db2.gz IOLKYECGEFFMGM-KRWDZBQOSA-N 2 0 347.507 1.887 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)C[C@@H]1[NH+](C)C ZINC000268161894 442878652 /nfs/dbraw/zinc/87/86/52/442878652.db2.gz IGMPSBOVDBYZEJ-GUYCJALGSA-N 2 0 336.455 1.979 20 0 EDADRP C(CC1CC[NH+](CCCN2CCOCC2)CC1)C[NH+]1CCOCC1 ZINC000182950526 442853287 /nfs/dbraw/zinc/85/32/87/442853287.db2.gz SZDSHUVJJDOJLP-UHFFFAOYSA-N 2 0 339.524 1.533 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)C1(C)C ZINC000249058275 442947073 /nfs/dbraw/zinc/94/70/73/442947073.db2.gz FLEHTUHDJDDREW-ADAWSYLGSA-N 2 0 325.497 1.756 20 0 EDADRP CCn1ccnc(N2CCC([NH2+][C@@H]3CC[N@H+](CC)C[C@H]3C)CC2)c1=O ZINC000252528086 443041123 /nfs/dbraw/zinc/04/11/23/443041123.db2.gz FBDFCCQEZIOYSW-NVXWUHKLSA-N 2 0 347.507 1.552 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cnn(C)c1 ZINC000268817229 443117275 /nfs/dbraw/zinc/11/72/75/443117275.db2.gz NXXRBMQYOQVNEY-INIZCTEOSA-N 2 0 328.464 1.678 20 0 EDADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000268975837 443163251 /nfs/dbraw/zinc/16/32/51/443163251.db2.gz JEGUQQLOTXCLTP-CQSZACIVSA-N 2 0 335.448 1.459 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@@H]2CC[NH2+]C2)CC1 ZINC000261863074 443172401 /nfs/dbraw/zinc/17/24/01/443172401.db2.gz PWHKOVPJLUOOPQ-FGTMMUONSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)c1cccc(CN2CCOCC2)c1 ZINC000237991291 443192021 /nfs/dbraw/zinc/19/20/21/443192021.db2.gz ADTBIQMDYBZQRN-MSOLQXFVSA-N 2 0 331.460 1.766 20 0 EDADRP C[N@H+](Cc1ccccc1CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C1CCCCC1 ZINC000262400656 443193658 /nfs/dbraw/zinc/19/36/58/443193658.db2.gz OEIWTJFHIPASRM-OALUTQOASA-N 2 0 345.487 1.790 20 0 EDADRP CC(C)[C@@H](CCO)NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269213566 443235603 /nfs/dbraw/zinc/23/56/03/443235603.db2.gz JABJFBRIRCZCBL-ZWKOTPCHSA-N 2 0 344.459 1.324 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262854028 443214638 /nfs/dbraw/zinc/21/46/38/443214638.db2.gz VRGGJPUIFBRGTQ-PMPSAXMXSA-N 2 0 333.480 1.658 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000383719869 319126147 /nfs/dbraw/zinc/12/61/47/319126147.db2.gz YDTNHHHEEGFYDR-ZCNNSNEGSA-N 2 0 331.504 1.753 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410807548 319160238 /nfs/dbraw/zinc/16/02/38/319160238.db2.gz IIGSJAFSUDAEIK-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3ccccc3)C[C@H]2C)C1 ZINC000413827683 319292160 /nfs/dbraw/zinc/29/21/60/319292160.db2.gz CCMAEGAJVCTAIW-SJLPKXTDSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000414670521 319338943 /nfs/dbraw/zinc/33/89/43/319338943.db2.gz LMKNSJJJRHHQOM-UHFFFAOYSA-N 2 0 334.464 1.580 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(Cc3cn4ccccc4n3)CC2)CC[NH2+]1 ZINC000414679922 319341000 /nfs/dbraw/zinc/34/10/00/319341000.db2.gz MFAOJJZAORYSEP-IAGOWNOFSA-N 2 0 327.476 1.840 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414683286 319341797 /nfs/dbraw/zinc/34/17/97/319341797.db2.gz ZVPKWOFNQNZWOY-HOTGVXAUSA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000414693546 319343180 /nfs/dbraw/zinc/34/31/80/319343180.db2.gz CCPHFAHPAWQWHK-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCC[C@H](C)C2)c1 ZINC000414692978 319343336 /nfs/dbraw/zinc/34/33/36/319343336.db2.gz BCNGSIHRVYSPAE-AWEZNQCLSA-N 2 0 332.448 1.193 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000415082175 319345744 /nfs/dbraw/zinc/34/57/44/319345744.db2.gz OBNCSSFXJKGEIO-UHFFFAOYSA-N 2 0 334.464 1.391 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCCN2CCOCC2)CC[NH2+]1 ZINC000415082367 319345813 /nfs/dbraw/zinc/34/58/13/319345813.db2.gz OFVJMKZTPRUEGG-ROUUACIJSA-N 2 0 347.503 1.875 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000269267406 443258810 /nfs/dbraw/zinc/25/88/10/443258810.db2.gz ZWWCAWQBXMOGDY-OAHLLOKOSA-N 2 0 337.489 1.455 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)cc1 ZINC000415218528 319352959 /nfs/dbraw/zinc/35/29/59/319352959.db2.gz LSGARALDCSAVJF-RHSMWYFYSA-N 2 0 344.459 1.430 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415308931 319361117 /nfs/dbraw/zinc/36/11/17/319361117.db2.gz QRHKXJHJMFMRSO-UHFFFAOYSA-N 2 0 346.475 1.379 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415375005 319362239 /nfs/dbraw/zinc/36/22/39/319362239.db2.gz JPJITKAVDOMJKN-QGZVFWFLSA-N 2 0 344.459 1.479 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C)CCCC[NH3+] ZINC000415741215 319369163 /nfs/dbraw/zinc/36/91/63/319369163.db2.gz KMWFGSMKAAIDHK-AWEZNQCLSA-N 2 0 334.464 1.629 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C)CCCC[NH3+])ccc1C[NH+](C)C ZINC000415746463 319369531 /nfs/dbraw/zinc/36/95/31/319369531.db2.gz VCBXRRIYABCZNO-CQSZACIVSA-N 2 0 334.464 1.629 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+](C)[C@H](C)C2(C)CC2)C1 ZINC000246134579 443270926 /nfs/dbraw/zinc/27/09/26/443270926.db2.gz MTPWRQUZPIZNFN-CVEARBPZSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CCCO1 ZINC000415891496 319382007 /nfs/dbraw/zinc/38/20/07/319382007.db2.gz GPGYHRSFGRNWRX-OAHLLOKOSA-N 2 0 346.475 1.955 20 0 EDADRP C[C@@H]1CN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@H]1[NH+](C)C ZINC000266901352 443285792 /nfs/dbraw/zinc/28/57/92/443285792.db2.gz LIUSWUAEDYJCKQ-VQIMIIECSA-N 2 0 344.503 1.456 20 0 EDADRP C[C@@H]1CN(CCCC[NH2+][C@@H]2CCCC[C@H]2S(C)(=O)=O)C[C@H](C)O1 ZINC000246017210 443262793 /nfs/dbraw/zinc/26/27/93/443262793.db2.gz JEMQHEXGJKSMKL-YYIAUSFCSA-N 2 0 346.537 1.821 20 0 EDADRP CC(C)[C@H](C[NH2+][C@H]1CCCC[C@H]1S(C)(=O)=O)N1CCN(C)CC1 ZINC000246017285 443263030 /nfs/dbraw/zinc/26/30/30/443263030.db2.gz JGMCHKXFSZEOIT-YESZJQIVSA-N 2 0 345.553 1.204 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)C[C@H]12 ZINC000416816111 319463168 /nfs/dbraw/zinc/46/31/68/319463168.db2.gz IMMZDQUSPFBVKG-QKPAOTATSA-N 2 0 332.448 1.795 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)Cc1ccccc1 ZINC000416852264 319466457 /nfs/dbraw/zinc/46/64/57/319466457.db2.gz SEXIPSRLSUXAAE-ROUUACIJSA-N 2 0 332.492 1.976 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cccc(OC)c1 ZINC000416919921 319474559 /nfs/dbraw/zinc/47/45/59/319474559.db2.gz KIZVHZAKIZJEQH-XWTMOSNGSA-N 2 0 346.475 1.595 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000418560074 319505060 /nfs/dbraw/zinc/50/50/60/319505060.db2.gz PYLKGMPFKWUKBL-XYPHTWIQSA-N 2 0 334.464 1.438 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418674270 319510205 /nfs/dbraw/zinc/51/02/05/319510205.db2.gz QCIUVVMTBMPORN-VIKVFOODSA-N 2 0 338.402 1.256 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)CC[NH2+]1 ZINC000418897755 319529741 /nfs/dbraw/zinc/52/97/41/319529741.db2.gz HQXDACYSHLGUOZ-HUUCEWRRSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C=O)CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000278644260 443388983 /nfs/dbraw/zinc/38/89/83/443388983.db2.gz HUGQMNLHMLFMCZ-OAHLLOKOSA-N 2 0 348.466 1.849 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000419124576 319558487 /nfs/dbraw/zinc/55/84/87/319558487.db2.gz XURSQDIOUKFXSN-UHFFFAOYSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]([NH2+]CCC1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420383736 319613588 /nfs/dbraw/zinc/61/35/88/319613588.db2.gz ZYHDVTXCOGFVKW-AWEZNQCLSA-N 2 0 339.505 1.977 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC000278768116 443432190 /nfs/dbraw/zinc/43/21/90/443432190.db2.gz GMUCRYHQHCFVFD-UHFFFAOYSA-N 2 0 343.475 1.078 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000267424634 443453173 /nfs/dbraw/zinc/45/31/73/443453173.db2.gz XFADMFKIHWKEQP-UHFFFAOYSA-N 2 0 348.491 1.227 20 0 EDADRP C[C@@H](C[NH2+]CCN1C(=O)c2ccccc2C1=O)C[NH+]1CCCCC1 ZINC000278840340 443457988 /nfs/dbraw/zinc/45/79/88/443457988.db2.gz JUBZAGZTCQPHEW-HNNXBMFYSA-N 2 0 329.444 1.994 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCn1cc(Br)ccc1=O ZINC000423142689 319753271 /nfs/dbraw/zinc/75/32/71/319753271.db2.gz BEZIRVTUYZAXBV-WCQYABFASA-N 2 0 328.254 1.589 20 0 EDADRP COc1cc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)ccc1OC(F)F ZINC000423199031 319755802 /nfs/dbraw/zinc/75/58/02/319755802.db2.gz AFQZHFIKYDZDNY-GFCCVEGCSA-N 2 0 329.391 1.852 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@H]3CCCC[C@@H]3[NH3+])cn2)CC1 ZINC000423719963 319806620 /nfs/dbraw/zinc/80/66/20/319806620.db2.gz CTRBVZMYEBAVAS-ZBFHGGJFSA-N 2 0 331.464 1.680 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C[C@@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000423771648 319814594 /nfs/dbraw/zinc/81/45/94/319814594.db2.gz JRXBXXUVVKSPKO-CABCVRRESA-N 2 0 325.840 1.437 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000272367298 443604761 /nfs/dbraw/zinc/60/47/61/443604761.db2.gz ZZKCVXIDANEXOQ-IRXDYDNUSA-N 2 0 330.476 1.394 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](c3nccs3)C2)CC1 ZINC000433153586 319972778 /nfs/dbraw/zinc/97/27/78/319972778.db2.gz WOEIFWXYNIJPSJ-CQSZACIVSA-N 2 0 338.477 1.246 20 0 EDADRP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1 ZINC000286108008 443647428 /nfs/dbraw/zinc/64/74/28/443647428.db2.gz NMXRHQRFPUUDBQ-OLZOCXBDSA-N 2 0 325.478 1.821 20 0 EDADRP O=C(NC[C@H](O)C[NH+]1CCCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450242575 320216343 /nfs/dbraw/zinc/21/63/43/320216343.db2.gz LRYKSZLWTKLDCL-ZWKOTPCHSA-N 2 0 337.508 1.747 20 0 EDADRP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1cccc(S(N)(=O)=O)c1 ZINC000453405256 320263332 /nfs/dbraw/zinc/26/33/32/320263332.db2.gz QFNNDBDXXOXIPZ-ZDUSSCGKSA-N 2 0 325.478 1.859 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000455001532 320299041 /nfs/dbraw/zinc/29/90/41/320299041.db2.gz LZLVJZKBXNTZLH-KRWDZBQOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000457504480 320328648 /nfs/dbraw/zinc/32/86/48/320328648.db2.gz GUBHYEZFTZCAJQ-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000458602780 320338082 /nfs/dbraw/zinc/33/80/82/320338082.db2.gz UDJCXUBJWKSQSY-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C[NH+]1CCCC1 ZINC000458697801 320338688 /nfs/dbraw/zinc/33/86/88/320338688.db2.gz NAXRHCAQNZBOLI-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP O=C(NC[C@H]1CCCC[NH+]1C1CC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458698203 320338703 /nfs/dbraw/zinc/33/87/03/320338703.db2.gz AGUHSFAPHXNPMC-DOTOQJQBSA-N 2 0 338.496 1.149 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)C[C@H]1C ZINC000458853125 320343184 /nfs/dbraw/zinc/34/31/84/320343184.db2.gz WFKXBGUIVLRNLZ-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000471647816 320353200 /nfs/dbraw/zinc/35/32/00/320353200.db2.gz IXKFZILADZINMU-ZDUSSCGKSA-N 2 0 328.482 1.228 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000487602356 320356834 /nfs/dbraw/zinc/35/68/34/320356834.db2.gz VITYAUFTTVCYOD-KBMXLJTQSA-N 2 0 326.485 1.004 20 0 EDADRP C[C@@H](CNC(=[NH2+])N1CCN(C(=O)OC(C)(C)C)CC1)C[NH+](C)C ZINC000497060730 320417094 /nfs/dbraw/zinc/41/70/94/320417094.db2.gz CNGGJIURMZVKQU-ZDUSSCGKSA-N 2 0 327.473 1.261 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(Sc3ccccc3)CC2)CC1 ZINC000516175270 320433389 /nfs/dbraw/zinc/43/33/89/320433389.db2.gz ILNVDBNZYLAMRO-MRXNPFEDSA-N 2 0 335.517 1.509 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)CCCCO ZINC000276469567 443717559 /nfs/dbraw/zinc/71/75/59/443717559.db2.gz YRHUUDZPQDQUIG-KRWDZBQOSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000288173823 443793277 /nfs/dbraw/zinc/79/32/77/443793277.db2.gz PSAYAWYWUHWXRS-HHXXYDBFSA-N 2 0 348.491 1.261 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298397288 443761483 /nfs/dbraw/zinc/76/14/83/443761483.db2.gz KPORSVFSYDSPPK-UHFFFAOYSA-N 2 0 333.476 1.981 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000298639098 443825177 /nfs/dbraw/zinc/82/51/77/443825177.db2.gz AUWZTCVVPLWICW-OALUTQOASA-N 2 0 342.487 1.971 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1C[C@]12CCc1ccccc12 ZINC000531357670 320656854 /nfs/dbraw/zinc/65/68/54/320656854.db2.gz UAPNSZLQUGHLFY-QUCCMNQESA-N 2 0 329.488 1.842 20 0 EDADRP Cc1cnn(C)c1C[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000285329254 443943897 /nfs/dbraw/zinc/94/38/97/443943897.db2.gz BRNIXZWUTGBMNH-UHFFFAOYSA-N 2 0 327.476 1.766 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000285283104 443926241 /nfs/dbraw/zinc/92/62/41/443926241.db2.gz ZUTXXIVJRVYTRA-UHFFFAOYSA-N 2 0 348.491 1.083 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)C1 ZINC000277393706 443976898 /nfs/dbraw/zinc/97/68/98/443976898.db2.gz DLQDPECTABCMQI-STEAMIEHSA-N 2 0 345.487 1.504 20 0 EDADRP CCC[C@]1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOC1 ZINC000285426459 443980180 /nfs/dbraw/zinc/98/01/80/443980180.db2.gz DXLXSTRWPMIFOT-HKUYNNGSSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCC(=O)NC(N)=O ZINC000299297859 444009690 /nfs/dbraw/zinc/00/96/90/444009690.db2.gz MSGFOOCWLZAAKO-ZIAGYGMSSA-N 2 0 332.448 1.318 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+]2CCCC2)cc1 ZINC000557140040 321000325 /nfs/dbraw/zinc/00/03/25/321000325.db2.gz YWWBPFZBRWAGTB-XDNAFOTISA-N 2 0 328.460 1.649 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C2CCC(c3ccccc3)CC2)CC1 ZINC000562733571 321074263 /nfs/dbraw/zinc/07/42/63/321074263.db2.gz CETHFHKEMUGXMQ-MHJFOBGBSA-N 2 0 331.504 1.911 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000562820881 321079461 /nfs/dbraw/zinc/07/94/61/321079461.db2.gz NGRMOEPNUZYZRX-IXDOHACOSA-N 2 0 345.491 1.543 20 0 EDADRP [NH3+]C1CCC(OCC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000563113074 321097344 /nfs/dbraw/zinc/09/73/44/321097344.db2.gz NCTPUGNLWLTHOY-UHFFFAOYSA-N 2 0 335.492 1.543 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000564823882 321150347 /nfs/dbraw/zinc/15/03/47/321150347.db2.gz MYFXFKZXFJZLDK-YAJHFMINSA-N 2 0 347.503 1.749 20 0 EDADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825451 321150479 /nfs/dbraw/zinc/15/04/79/321150479.db2.gz IJGKEKCUYOTPLG-OLMMMNRUSA-N 2 0 329.444 1.747 20 0 EDADRP CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1(C[NH3+])CCC1 ZINC000565039352 321165502 /nfs/dbraw/zinc/16/55/02/321165502.db2.gz YNRWFAXDNCVLDI-UHFFFAOYSA-N 2 0 344.503 1.929 20 0 EDADRP CN(C)c1ncccc1O[C@@H]1CCN([C@H](C(N)=O)c2ccccc2)C1 ZINC000289273434 444093676 /nfs/dbraw/zinc/09/36/76/444093676.db2.gz FIMVGZTVYOFUJU-WBVHZDCISA-N 2 0 340.427 1.827 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000565412824 321185413 /nfs/dbraw/zinc/18/54/13/321185413.db2.gz PAPFKKGKMFITON-DDBAPUKQSA-N 2 0 330.476 1.888 20 0 EDADRP Cc1noc(C2CCC([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)n1 ZINC000566103566 321215002 /nfs/dbraw/zinc/21/50/02/321215002.db2.gz AHCYDKSODILSQV-UHFFFAOYSA-N 2 0 345.451 1.779 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCC1([NH3+])CCC1 ZINC000567029009 321239660 /nfs/dbraw/zinc/23/96/60/321239660.db2.gz KKAWNFODMZJYNC-UHFFFAOYSA-N 2 0 331.464 1.750 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000567585580 321247169 /nfs/dbraw/zinc/24/71/69/321247169.db2.gz KIEBXUZCIYQMOT-QZTJIDSGSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)N1CC[NH+](C)CC1 ZINC000567800503 321258464 /nfs/dbraw/zinc/25/84/64/321258464.db2.gz SJBJXKOIPJLFTM-RDJZCZTQSA-N 2 0 332.492 1.465 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000568161602 321277617 /nfs/dbraw/zinc/27/76/17/321277617.db2.gz DXNBHUGZMZEIGA-LPHOPBHVSA-N 2 0 344.503 1.710 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000568183977 321279215 /nfs/dbraw/zinc/27/92/15/321279215.db2.gz HXJOBEVMTDBPRO-KRWDZBQOSA-N 2 0 341.459 1.449 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000568189409 321279660 /nfs/dbraw/zinc/27/96/60/321279660.db2.gz HIOFEOXGFMHGOS-BBWFWOEESA-N 2 0 347.507 1.922 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000568288226 321285976 /nfs/dbraw/zinc/28/59/76/321285976.db2.gz XSFLHVVMJWCWRY-SFHVURJKSA-N 2 0 332.492 1.944 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000568406673 321290527 /nfs/dbraw/zinc/29/05/27/321290527.db2.gz YFINZOVEQZCKIH-UHFFFAOYSA-N 2 0 331.460 1.971 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000569098448 321318576 /nfs/dbraw/zinc/31/85/76/321318576.db2.gz GEVZDDKWUREOIT-JLJPHGGASA-N 2 0 344.459 1.320 20 0 EDADRP C[C@]1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028715 321334666 /nfs/dbraw/zinc/33/46/66/321334666.db2.gz KSJUXYVTUWDXGV-HKUYNNGSSA-N 2 0 330.476 1.950 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000570262934 321343044 /nfs/dbraw/zinc/34/30/44/321343044.db2.gz PKSQDKIHWLLXDL-HNNXBMFYSA-N 2 0 344.459 1.261 20 0 EDADRP C[C@H](NC(=O)CC1(C[NH3+])CC1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000570627999 321351141 /nfs/dbraw/zinc/35/11/41/321351141.db2.gz FMKJFKVTLDGIRF-AWEZNQCLSA-N 2 0 348.466 1.884 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)Nc2ccc3nccn3c2)CCCCCC1 ZINC000570935941 321364838 /nfs/dbraw/zinc/36/48/38/321364838.db2.gz OKJDHEFUFMGWHB-UHFFFAOYSA-N 2 0 329.404 1.441 20 0 EDADRP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NCCOc1cccc(F)c1 ZINC000571627809 321394088 /nfs/dbraw/zinc/39/40/88/321394088.db2.gz PRFTTWNRRJOSGA-GOSISDBHSA-N 2 0 335.423 1.396 20 0 EDADRP COC[C@]1(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]C1 ZINC000574392069 321482265 /nfs/dbraw/zinc/48/22/65/321482265.db2.gz AZKSUOJLZLHQAZ-SFHVURJKSA-N 2 0 332.448 1.040 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)CN2CCOCC2)c1 ZINC000574684659 321495487 /nfs/dbraw/zinc/49/54/87/321495487.db2.gz QMLBCKGMURXBSO-IBGZPJMESA-N 2 0 335.492 1.311 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000574874189 321505419 /nfs/dbraw/zinc/50/54/19/321505419.db2.gz LLGBYRHUIZBDSO-SJLPKXTDSA-N 2 0 345.491 1.756 20 0 EDADRP C[C@H]([NH2+]CCCn1cc(CO)nn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289886310 444215332 /nfs/dbraw/zinc/21/53/32/444215332.db2.gz SHOFNCBUDRVTGO-WMZOPIPTSA-N 2 0 343.475 1.661 20 0 EDADRP CO[C@H](Cc1ccccc1)CN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000296697626 444248229 /nfs/dbraw/zinc/24/82/29/444248229.db2.gz DPTBTMAWAXPCRI-MOPGFXCFSA-N 2 0 345.487 1.483 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000576612109 321581849 /nfs/dbraw/zinc/58/18/49/321581849.db2.gz NXNZZOUDVOMRBG-MAUKXSAKSA-N 2 0 340.512 1.117 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000576815997 321598405 /nfs/dbraw/zinc/59/84/05/321598405.db2.gz FUVPDBMBTUQHEA-WOJBJXKFSA-N 2 0 349.519 1.741 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000305192549 444264155 /nfs/dbraw/zinc/26/41/55/444264155.db2.gz KHTKQTZCBAZKSD-MOPGFXCFSA-N 2 0 345.487 1.396 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)CC1 ZINC000576849952 321602003 /nfs/dbraw/zinc/60/20/03/321602003.db2.gz CPHGSWRZDUSODD-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP OCC[NH+]1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000303052851 444233093 /nfs/dbraw/zinc/23/30/93/444233093.db2.gz VFUZTZLSUUYAQE-UHFFFAOYSA-N 2 0 333.476 1.271 20 0 EDADRP CSc1cc2c(cc1C[NH2+]CCOCC[NH+](C)C)OCCO2 ZINC000318485854 444319889 /nfs/dbraw/zinc/31/98/89/444319889.db2.gz WDMPJKKTHATLDZ-UHFFFAOYSA-N 2 0 326.462 1.848 20 0 EDADRP Cc1cc(F)ccc1[C@H](O)CN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000305711451 444274427 /nfs/dbraw/zinc/27/44/27/444274427.db2.gz FLTTUQVTRTVJBI-QZTJIDSGSA-N 2 0 349.450 1.582 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000310562112 444291957 /nfs/dbraw/zinc/29/19/57/444291957.db2.gz WBHXMHQASMJICS-MOPGFXCFSA-N 2 0 335.492 1.132 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000578507439 321785945 /nfs/dbraw/zinc/78/59/45/321785945.db2.gz QQRNQQWPAGOQNG-LSDHHAIUSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000340506099 444415699 /nfs/dbraw/zinc/41/56/99/444415699.db2.gz SNHUKIXTAPEFCQ-XPGWFJOJSA-N 2 0 329.488 1.478 20 0 EDADRP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1)O[C@H](C)C2 ZINC000326992445 444379731 /nfs/dbraw/zinc/37/97/31/444379731.db2.gz BHILWMGNQZVGNQ-KGLIPLIRSA-N 2 0 347.459 1.306 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C1 ZINC000337831021 444427689 /nfs/dbraw/zinc/42/76/89/444427689.db2.gz ZZNRAZDTGLZDJJ-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP CN(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCOCC1 ZINC000337873698 444444589 /nfs/dbraw/zinc/44/45/89/444444589.db2.gz SRGPJPHZEILJQK-UHFFFAOYSA-N 2 0 328.501 1.423 20 0 EDADRP CC(C)N1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1=O ZINC000579822741 321973850 /nfs/dbraw/zinc/97/38/50/321973850.db2.gz OQWZIQUXPUTOQK-FCEWJHQRSA-N 2 0 329.444 1.841 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[N@H+](C)C1CC1 ZINC000580171964 322017475 /nfs/dbraw/zinc/01/74/75/322017475.db2.gz HQTRMUSRFYVTRW-CYFGEWFFSA-N 2 0 334.508 1.922 20 0 EDADRP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000580311636 322035503 /nfs/dbraw/zinc/03/55/03/322035503.db2.gz VSTPKDLGPHHQJV-OALUTQOASA-N 2 0 344.503 1.975 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1C[C@H](C)[NH+](Cc2ccccc2)C[C@H]1C ZINC000580462070 322055059 /nfs/dbraw/zinc/05/50/59/322055059.db2.gz PGHIKXLKRIBHNU-NSHGMRRFSA-N 2 0 349.519 1.520 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000581321928 322164452 /nfs/dbraw/zinc/16/44/52/322164452.db2.gz CWKJCLCXSZKZCE-INIZCTEOSA-N 2 0 340.512 1.646 20 0 EDADRP CN1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000581676500 322208565 /nfs/dbraw/zinc/20/85/65/322208565.db2.gz ZHBDSDCEEGDRHX-IBGZPJMESA-N 2 0 331.460 1.176 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CC1 ZINC000332235271 444506428 /nfs/dbraw/zinc/50/64/28/444506428.db2.gz GGSHTFCZWWCAPU-HUUCEWRRSA-N 2 0 331.526 1.829 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CC[N@@H+]1C[C@H](C)O ZINC000332291369 444508577 /nfs/dbraw/zinc/50/85/77/444508577.db2.gz STTXPKYVPLPPAS-YLFCFFPRSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[N@@H+]1C ZINC000340863928 444549415 /nfs/dbraw/zinc/54/94/15/444549415.db2.gz WICPUYUSFZRHAN-NXHRZFHOSA-N 2 0 332.492 1.941 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000340949118 444591675 /nfs/dbraw/zinc/59/16/75/444591675.db2.gz CRCAVIURFBNEHT-DOTOQJQBSA-N 2 0 348.491 1.909 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@@H]1CCc2nccn2C1)N1CCOCC1 ZINC000332932705 444601438 /nfs/dbraw/zinc/60/14/38/444601438.db2.gz HZRFKEJMLKVLKN-JKSUJKDBSA-N 2 0 349.479 1.102 20 0 EDADRP C[NH+]1CCC(CN[C@H]2C[C@H]([NH3+])c3ccccc32)(N2CCOCC2)CC1 ZINC000333266279 444652182 /nfs/dbraw/zinc/65/21/82/444652182.db2.gz JNGYHTJFSHBAAK-OALUTQOASA-N 2 0 344.503 1.517 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cnn2ccccc12 ZINC000342393092 444672280 /nfs/dbraw/zinc/67/22/80/444672280.db2.gz YQVNWFUPKRJHEF-UHFFFAOYSA-N 2 0 331.464 1.680 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000341016590 444633925 /nfs/dbraw/zinc/63/39/25/444633925.db2.gz NRGGBJCXSGGSBJ-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000343968954 444701004 /nfs/dbraw/zinc/70/10/04/444701004.db2.gz BLAQILKWDHOWDU-CRAIPNDOSA-N 2 0 332.492 1.984 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C(C)C)C1 ZINC000341172668 444709241 /nfs/dbraw/zinc/70/92/41/444709241.db2.gz UZFLPALSVFETJB-BBWFWOEESA-N 2 0 338.496 1.364 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000343987071 444711390 /nfs/dbraw/zinc/71/13/90/444711390.db2.gz SDFIJPYTYRHNCF-MJGOQNOKSA-N 2 0 331.508 1.524 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)CC[N@@H+]1C ZINC000341185945 444716534 /nfs/dbraw/zinc/71/65/34/444716534.db2.gz BYFHZENWWRSRRB-HOTGVXAUSA-N 2 0 339.528 1.137 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCOC2)CC1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000341188717 444718321 /nfs/dbraw/zinc/71/83/21/444718321.db2.gz YCMUGFDGFXXRGE-SJLPKXTDSA-N 2 0 348.491 1.143 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)[C@H](n2cncn2)C1 ZINC000333758303 444694979 /nfs/dbraw/zinc/69/49/79/444694979.db2.gz ADQOLLJDJVIONG-ARZKPCJCSA-N 2 0 346.523 1.814 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@](C)(O)C(F)(F)F ZINC000344124762 444794261 /nfs/dbraw/zinc/79/42/61/444794261.db2.gz HIPWRPNPKYHJIZ-AWEZNQCLSA-N 2 0 325.419 1.649 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000341367913 444797992 /nfs/dbraw/zinc/79/79/92/444797992.db2.gz GGNYPFFDNDGQHU-GOEBONIOSA-N 2 0 349.479 1.304 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1(C)C ZINC000344138532 444802021 /nfs/dbraw/zinc/80/20/21/444802021.db2.gz NQFFWWSDAKGLMS-IAGOWNOFSA-N 2 0 327.513 1.170 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(c2cncc(N3CC[C@H](C[NH+](C)C)C3)n2)C1 ZINC000338690448 444809702 /nfs/dbraw/zinc/80/97/02/444809702.db2.gz XBEZXMZIPSBPSC-IYBDPMFKSA-N 2 0 332.496 1.252 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000342688379 444814576 /nfs/dbraw/zinc/81/45/76/444814576.db2.gz CNUOHISCRHBGLM-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000341340574 444785469 /nfs/dbraw/zinc/78/54/69/444785469.db2.gz DJBOTXKQUFKHGS-INIZCTEOSA-N 2 0 326.529 1.497 20 0 EDADRP CC(C)(C)c1ncc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)cn1 ZINC000342724253 444835790 /nfs/dbraw/zinc/83/57/90/444835790.db2.gz GGVFGDMOQURGND-UHFFFAOYSA-N 2 0 349.523 1.254 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCCC[NH+]1CCCCC1 ZINC000341625906 444924315 /nfs/dbraw/zinc/92/43/15/444924315.db2.gz ADKWINSTVUUHOV-KRWDZBQOSA-N 2 0 325.497 1.727 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000342943329 444956216 /nfs/dbraw/zinc/95/62/16/444956216.db2.gz PUBMOPHWSKVHRV-NVXWUHKLSA-N 2 0 345.491 1.806 20 0 EDADRP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)CC1 ZINC000343045802 445026010 /nfs/dbraw/zinc/02/60/10/445026010.db2.gz OJDJWQLNFFFULI-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+]1CCC(C)CC1 ZINC000343092610 445057928 /nfs/dbraw/zinc/05/79/28/445057928.db2.gz CXFXADJJPBOIJA-MSOLQXFVSA-N 2 0 336.524 1.249 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000337426937 445075732 /nfs/dbraw/zinc/07/57/32/445075732.db2.gz XEAFUMMBOUJESJ-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000337474882 445096593 /nfs/dbraw/zinc/09/65/93/445096593.db2.gz XPPVPGCUXQJBNR-GOSISDBHSA-N 2 0 328.416 1.290 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCOc3ccccc3F)C[C@H]21 ZINC000342082904 445162382 /nfs/dbraw/zinc/16/23/82/445162382.db2.gz JIABRVPSOCTVTN-ZMSDIMECSA-N 2 0 349.450 1.770 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429554 445221445 /nfs/dbraw/zinc/22/14/45/445221445.db2.gz CDSAUPHTIBXJTO-HZPDHXFCSA-N 2 0 329.400 1.236 20 0 EDADRP CC(C)N1CC[C@H]([N@H+](C)C[C@H]2CCCN(C)[C@H]2c2ccnn2C)C1=O ZINC000346910793 445227751 /nfs/dbraw/zinc/22/77/51/445227751.db2.gz CWIOHASPKZSCKR-BPQIPLTHSA-N 2 0 347.507 1.744 20 0 EDADRP CN(CC(=O)N1CCCCC1)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000346929081 445228293 /nfs/dbraw/zinc/22/82/93/445228293.db2.gz NKYZTQDKXQZIPY-QFBILLFUSA-N 2 0 347.507 1.747 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@H+](C)C2CCCC2)[NH+](C)C1 ZINC000347083835 445231306 /nfs/dbraw/zinc/23/13/06/445231306.db2.gz CYDMKPPZKYHFIA-JKSUJKDBSA-N 2 0 326.485 1.221 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CC(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343574329 445246787 /nfs/dbraw/zinc/24/67/87/445246787.db2.gz CUYXNORNYQCYCO-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)C[C@@H]1C ZINC000351635811 445251389 /nfs/dbraw/zinc/25/13/89/445251389.db2.gz QDSYQOPIZDCQPU-QZWWFDLISA-N 2 0 340.512 1.346 20 0 EDADRP O=C([C@@H]1CCN1Cc1ccccc1)N1CC[NH+](C2CCOCC2)CC1 ZINC000354610228 445313175 /nfs/dbraw/zinc/31/31/75/445313175.db2.gz YPJUXXGXGAGRQW-IBGZPJMESA-N 2 0 343.471 1.584 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC2CC([NH+]3CCCCC3)C2)[N@H+](C)C1 ZINC000348434595 445289320 /nfs/dbraw/zinc/28/93/20/445289320.db2.gz JZQGWDAFKYYQGL-GQGLESIBSA-N 2 0 338.496 1.364 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000348632268 445340067 /nfs/dbraw/zinc/34/00/67/445340067.db2.gz DHRRUTUBIOOSSG-UHFFFAOYSA-N 2 0 344.459 1.036 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000351881826 445353562 /nfs/dbraw/zinc/35/35/62/445353562.db2.gz LEBNMCVWMYKNQV-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000362389139 445356378 /nfs/dbraw/zinc/35/63/78/445356378.db2.gz MOBBVJXPMWOOFB-UHFFFAOYSA-N 2 0 344.503 1.602 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000348822324 445401823 /nfs/dbraw/zinc/40/18/23/445401823.db2.gz ZGWSZFWBJJRMPK-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C1C[NH2+]C1 ZINC000357070239 445405968 /nfs/dbraw/zinc/40/59/68/445405968.db2.gz AJEGCBNFJURBMJ-UHFFFAOYSA-N 2 0 334.489 1.078 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050309 445396076 /nfs/dbraw/zinc/39/60/76/445396076.db2.gz MEQTYIQEEYULTC-HKUYNNGSSA-N 2 0 328.504 1.870 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359728724 445396210 /nfs/dbraw/zinc/39/62/10/445396210.db2.gz QGXQDKSMHSBWFZ-HNNXBMFYSA-N 2 0 349.479 1.115 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)CCOC1C[NH2+]C1 ZINC000349007013 445474129 /nfs/dbraw/zinc/47/41/29/445474129.db2.gz UVWMYSHRKTUZJO-QGZVFWFLSA-N 2 0 331.460 1.345 20 0 EDADRP C[C@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000354959135 445436411 /nfs/dbraw/zinc/43/64/11/445436411.db2.gz NSUAKHGPRDGZPM-HUUCEWRRSA-N 2 0 326.485 1.005 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000362571343 445445683 /nfs/dbraw/zinc/44/56/83/445445683.db2.gz WYBIVZKWAWVPLH-INIZCTEOSA-N 2 0 347.507 1.975 20 0 EDADRP Cc1cc(CS(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)on1 ZINC000362597651 445456777 /nfs/dbraw/zinc/45/67/77/445456777.db2.gz ZNMIRTQVYJUCIC-UHFFFAOYSA-N 2 0 346.497 1.018 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)c3ccccc3C[NH+](C)C)[C@@H]2C1 ZINC000355360981 445456878 /nfs/dbraw/zinc/45/68/78/445456878.db2.gz HJKKCTSQYYUDJI-QZTJIDSGSA-N 2 0 331.460 1.683 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(C)nn(C)c1OC ZINC000349071426 445493854 /nfs/dbraw/zinc/49/38/54/445493854.db2.gz GHHHPBNGGWADAN-MRXNPFEDSA-N 2 0 337.512 1.585 20 0 EDADRP COc1cccc(Cl)c1CN1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362677007 445493918 /nfs/dbraw/zinc/49/39/18/445493918.db2.gz WRBGGSXQSWGIMR-CYBMUJFWSA-N 2 0 337.851 1.745 20 0 EDADRP C[C@H]1C(=O)CC[C@@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355994515 445562258 /nfs/dbraw/zinc/56/22/58/445562258.db2.gz XFMAERSBVRHBKW-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@@H]1[NH+](C)CCCC1(C)C ZINC000360164625 445605568 /nfs/dbraw/zinc/60/55/68/445605568.db2.gz SKWWNJMPIVYFHD-HNNXBMFYSA-N 2 0 340.512 1.071 20 0 EDADRP O=C([C@H]1CCCc2nccn21)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000362914488 445607932 /nfs/dbraw/zinc/60/79/32/445607932.db2.gz XMAVFCZXPATFRT-HZPDHXFCSA-N 2 0 332.448 1.474 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000349571250 445615117 /nfs/dbraw/zinc/61/51/17/445615117.db2.gz DZLTVRNNFDJKLA-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000356106335 445625182 /nfs/dbraw/zinc/62/51/82/445625182.db2.gz CVBKBSJMRWURED-INIZCTEOSA-N 2 0 338.496 1.412 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000362873802 445591804 /nfs/dbraw/zinc/59/18/04/445591804.db2.gz JCGATFQZVLGTHV-MRXNPFEDSA-N 2 0 347.503 1.913 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC[NH+](C)CC1 ZINC000357943160 445595258 /nfs/dbraw/zinc/59/52/58/445595258.db2.gz SIBQNPXNYBCXPZ-ZIAGYGMSSA-N 2 0 328.526 1.596 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000353425848 445595526 /nfs/dbraw/zinc/59/55/26/445595526.db2.gz HYVJPMWWWJLNPU-IAGOWNOFSA-N 2 0 337.508 1.773 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363091340 445673999 /nfs/dbraw/zinc/67/39/99/445673999.db2.gz CARUGISSQPQOSZ-HZPDHXFCSA-N 2 0 347.459 1.220 20 0 EDADRP CN(C)c1ccc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)nc1 ZINC000358635160 445687355 /nfs/dbraw/zinc/68/73/55/445687355.db2.gz RKOQDGYHGHPBFV-UHFFFAOYSA-N 2 0 335.496 1.493 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000360330385 445697436 /nfs/dbraw/zinc/69/74/36/445697436.db2.gz UFQFUNURWZZZDP-RLLQIKCJSA-N 2 0 347.503 1.180 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)C[C@@H](C)O1 ZINC000353695102 445713103 /nfs/dbraw/zinc/71/31/03/445713103.db2.gz PHRFIDIJAPZHOO-NCOADZHNSA-N 2 0 338.496 1.221 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)cc1 ZINC000353699642 445714421 /nfs/dbraw/zinc/71/44/21/445714421.db2.gz FUVNVULDEXBZAC-QZTJIDSGSA-N 2 0 330.476 1.984 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(O)CC[NH+](C)C1 ZINC000358698504 445725347 /nfs/dbraw/zinc/72/53/47/445725347.db2.gz XCSWHUNIUVLXEZ-NVXWUHKLSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)C1 ZINC000358711711 445734005 /nfs/dbraw/zinc/73/40/05/445734005.db2.gz URMDESZQJHWNGO-HHXXYDBFSA-N 2 0 346.475 1.188 20 0 EDADRP CC(C)C[N@@H+]1CCCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000363272448 445749953 /nfs/dbraw/zinc/74/99/53/445749953.db2.gz DLGPLHHAKXPVNI-UHFFFAOYSA-N 2 0 336.484 1.640 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000363417551 445795576 /nfs/dbraw/zinc/79/55/76/445795576.db2.gz JVKDZHLIWOYZFU-QZTJIDSGSA-N 2 0 336.524 1.489 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000358826714 445796039 /nfs/dbraw/zinc/79/60/39/445796039.db2.gz MJZFVBZLAVLQQV-HNNXBMFYSA-N 2 0 342.528 1.125 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000358829869 445797346 /nfs/dbraw/zinc/79/73/46/445797346.db2.gz QANIKLYRVGMGDJ-UHFFFAOYSA-N 2 0 336.446 1.630 20 0 EDADRP [NH2+]=C(NC[C@@H](O)C[NH+]1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000363432168 445800758 /nfs/dbraw/zinc/80/07/58/445800758.db2.gz FYKURMZFNQXDGA-GDBMZVCRSA-N 2 0 332.448 1.471 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2C[C@@H](C)CC2(C)C)C1 ZINC000350286298 445807051 /nfs/dbraw/zinc/80/70/51/445807051.db2.gz LPDLANKTHPSPSP-HOTGVXAUSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](C[C@H](O)CN2CCCC2=O)C1 ZINC000363505969 445835836 /nfs/dbraw/zinc/83/58/36/445835836.db2.gz DERFKPQGLNNQSX-CVEARBPZSA-N 2 0 334.464 1.627 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@]2([NH+](C)C)CCc3ccccc32)CC1 ZINC000363515970 445840853 /nfs/dbraw/zinc/84/08/53/445840853.db2.gz OAFKPGOTPZKBTC-FQEVSTJZSA-N 2 0 345.487 1.617 20 0 EDADRP C[C@@H]1CN(CC[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000363538123 445850492 /nfs/dbraw/zinc/85/04/92/445850492.db2.gz MOALGXYELXTDPY-BRSBDYLESA-N 2 0 325.497 1.186 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000359013589 445888083 /nfs/dbraw/zinc/88/80/83/445888083.db2.gz BKGHXROTFNQDOI-SZVBFZGTSA-N 2 0 346.475 1.015 20 0 EDADRP NC(=O)N1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000365986151 445943599 /nfs/dbraw/zinc/94/35/99/445943599.db2.gz FJDIJALQIVHGHJ-GOSISDBHSA-N 2 0 346.475 1.364 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2csc(C(C)(C)C)n2)CC1 ZINC000582236267 325803990 /nfs/dbraw/zinc/80/39/90/325803990.db2.gz KOLCIXLDCRHLRV-OAHLLOKOSA-N 2 0 340.537 1.181 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000365952864 445924300 /nfs/dbraw/zinc/92/43/00/445924300.db2.gz USJXGQCUQRLIRD-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359190204 446016085 /nfs/dbraw/zinc/01/60/85/446016085.db2.gz MYOIPOCOQLBUPC-UHFFFAOYSA-N 2 0 331.460 1.843 20 0 EDADRP CCc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000582959560 325967494 /nfs/dbraw/zinc/96/74/94/325967494.db2.gz FFRCYHPIZAXNLL-WMZOPIPTSA-N 2 0 333.476 1.271 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C ZINC000369218575 446001274 /nfs/dbraw/zinc/00/12/74/446001274.db2.gz JLZQRZPVVZWBRK-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000583932526 326168098 /nfs/dbraw/zinc/16/80/98/326168098.db2.gz UDZAWFCOQFAZAJ-CQSZACIVSA-N 2 0 331.460 1.400 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)CC12CCOCC2 ZINC000584291074 326237179 /nfs/dbraw/zinc/23/71/79/326237179.db2.gz XOPDBKIOUSPBBS-SJORKVTESA-N 2 0 331.460 1.681 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000351443685 446066794 /nfs/dbraw/zinc/06/67/94/446066794.db2.gz NGZCXYCSYNRNSA-YQQAZPJKSA-N 2 0 325.497 1.458 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CC[NH+](CC3CCC4(CC3)OCCO4)CC2)C1 ZINC000365177714 446067261 /nfs/dbraw/zinc/06/72/61/446067261.db2.gz LWKLFLUQEUQJQS-SFHVURJKSA-N 2 0 337.508 1.632 20 0 EDADRP CCN1CCO[C@H](CN2CCN(CCC[NH+](CC)CC)CC2)C1 ZINC000365181358 446068493 /nfs/dbraw/zinc/06/84/93/446068493.db2.gz SKAOYVQHMDZHIL-SFHVURJKSA-N 2 0 326.529 1.057 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2Cn2cccn2)CC1 ZINC000369331478 446079059 /nfs/dbraw/zinc/07/90/59/446079059.db2.gz XDZAEDBIMPOULB-GOSISDBHSA-N 2 0 347.507 1.727 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([N@H+](C)CCO)CC1)[NH+]1CCCCC1 ZINC000351484053 446083904 /nfs/dbraw/zinc/08/39/04/446083904.db2.gz CDYVSJKPRWAOLL-QGZVFWFLSA-N 2 0 325.497 1.412 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@]12CCOC2 ZINC000359300149 446133513 /nfs/dbraw/zinc/13/35/13/446133513.db2.gz VDTZTENBFPJJAC-HKUYNNGSSA-N 2 0 344.459 1.137 20 0 EDADRP CN1CC[C@H](C[NH2+][C@H]2CCCS(=O)(=O)C2)[C@H]1c1cccs1 ZINC000373210265 446097543 /nfs/dbraw/zinc/09/75/43/446097543.db2.gz GCUNKVAXLJNTPR-IPYPFGDCSA-N 2 0 328.503 1.908 20 0 EDADRP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)[N@H+](C)C1CC1 ZINC000359283190 446118300 /nfs/dbraw/zinc/11/83/00/446118300.db2.gz GYNHQNNBMMFCDS-CQSZACIVSA-N 2 0 326.485 1.221 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@H](C)C1 ZINC000359284498 446119921 /nfs/dbraw/zinc/11/99/21/446119921.db2.gz HBUVZPWVUOMYFA-ARFHVFGLSA-N 2 0 340.512 1.164 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359351016 446168043 /nfs/dbraw/zinc/16/80/43/446168043.db2.gz MACDPHRSQVUSBR-DLBZAZTESA-N 2 0 330.476 1.695 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000359351024 446168054 /nfs/dbraw/zinc/16/80/54/446168054.db2.gz MACDPHRSQVUSBR-SJORKVTESA-N 2 0 330.476 1.695 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CC[NH2+]C1 ZINC000366324038 446151259 /nfs/dbraw/zinc/15/12/59/446151259.db2.gz NCEJRMBYYOCMAB-MJGOQNOKSA-N 2 0 349.475 1.430 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N(C)CC[NH+]1CCCC1)C(C)C ZINC000359392920 446195607 /nfs/dbraw/zinc/19/56/07/446195607.db2.gz QLIHJLIUBFTRSA-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP C[N@H+](C[C@@H](O)CN1CCC[C@@H](n2ccc(C(F)(F)F)n2)C1)C1CC1 ZINC000351612420 446207466 /nfs/dbraw/zinc/20/74/66/446207466.db2.gz WODKIQYNZGXIMZ-ZIAGYGMSSA-N 2 0 346.397 1.994 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000365662375 446291513 /nfs/dbraw/zinc/29/15/13/446291513.db2.gz NSTJYHAOPXIUTO-UHFFFAOYSA-N 2 0 346.519 1.085 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(=O)N2CCOCC2)CC1 ZINC000370505693 446310117 /nfs/dbraw/zinc/31/01/17/446310117.db2.gz XGWLRFSGXFNQKW-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365716592 446312857 /nfs/dbraw/zinc/31/28/57/446312857.db2.gz DGRHJFPQJINUFE-YESZJQIVSA-N 2 0 340.512 1.347 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000373677045 446299414 /nfs/dbraw/zinc/29/94/14/446299414.db2.gz SWWOALAQCVDBHG-UHFFFAOYSA-N 2 0 346.475 1.132 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000417408554 446350646 /nfs/dbraw/zinc/35/06/46/446350646.db2.gz UMVCYYROLWHDPH-QZTJIDSGSA-N 2 0 330.476 1.889 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)cn2)CC1 ZINC000365816814 446353670 /nfs/dbraw/zinc/35/36/70/446353670.db2.gz NCIHKOBPPYNSLC-RDJZCZTQSA-N 2 0 343.475 1.646 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000417523411 446361472 /nfs/dbraw/zinc/36/14/72/446361472.db2.gz HXAZZEMPMPDOEL-CRAIPNDOSA-N 2 0 348.491 1.467 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)C2CC([NH3+])C2)CC1 ZINC000417928931 446388817 /nfs/dbraw/zinc/38/88/17/446388817.db2.gz IBCDEGJOKKKFEK-BZOOQXSSSA-N 2 0 331.464 1.738 20 0 EDADRP CN1CC[C@@H](NC(=O)N2CC[NH2+]CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000417947031 446394364 /nfs/dbraw/zinc/39/43/64/446394364.db2.gz SVBZNKLIOZTHFE-HUUCEWRRSA-N 2 0 340.830 1.839 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H](C)[N@H+](C)C2CC2)ccc1C[NH+](C)C ZINC000411235953 446434886 /nfs/dbraw/zinc/43/48/86/446434886.db2.gz BIONIUPUCWOHOB-CQSZACIVSA-N 2 0 346.475 1.594 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000423137421 446435926 /nfs/dbraw/zinc/43/59/26/446435926.db2.gz WNKLKTPBCBHNHN-HOTGVXAUSA-N 2 0 340.512 1.009 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000625571114 450432029 /nfs/dbraw/zinc/43/20/29/450432029.db2.gz RBBBCJITCVKZOZ-NZSAHSFTSA-N 2 0 344.503 1.084 20 0 EDADRP COc1ccc(C[C@](C)(O)C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)cc1OC ZINC000423141505 446438402 /nfs/dbraw/zinc/43/84/02/446438402.db2.gz QLYQQYVKASMMJK-OGWOLHLISA-N 2 0 336.476 1.975 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000431847321 446438462 /nfs/dbraw/zinc/43/84/62/446438462.db2.gz VQJOQBQOFACLQR-MJGOQNOKSA-N 2 0 345.487 1.860 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418101245 446440758 /nfs/dbraw/zinc/44/07/58/446440758.db2.gz FTEIUGXJOALLID-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP Nc1nc(CN2CCC(C[NH3+])CC2)nc(Nc2ccc(F)cc2)n1 ZINC000420278241 446446257 /nfs/dbraw/zinc/44/62/57/446446257.db2.gz VDKUFEDNNPNVPQ-UHFFFAOYSA-N 2 0 331.399 1.507 20 0 EDADRP CCCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[NH2+]C1 ZINC000420281369 446448583 /nfs/dbraw/zinc/44/85/83/446448583.db2.gz ANXCFMZAYBHHOV-ROUUACIJSA-N 2 0 332.492 1.479 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCCN(Cc2ncc(Cl)cc2Cl)C1 ZINC000420287950 446453196 /nfs/dbraw/zinc/45/31/96/446453196.db2.gz GTNOWWDXKZYZQE-JTQLQIEISA-N 2 0 331.247 1.675 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417996970 446411617 /nfs/dbraw/zinc/41/16/17/446411617.db2.gz REHFIOKVVKNNGB-ZTFGCOKTSA-N 2 0 346.475 1.050 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418002393 446412128 /nfs/dbraw/zinc/41/21/28/446412128.db2.gz XRJSQLXIMCSSRK-MAUKXSAKSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012121 446415607 /nfs/dbraw/zinc/41/56/07/446415607.db2.gz RTZJKABALPEISW-CGTJXYLNSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418019768 446417302 /nfs/dbraw/zinc/41/73/02/446417302.db2.gz YHELSMFCLIQYHS-OWLYRPNTSA-N 2 0 328.460 1.368 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000370767322 446425782 /nfs/dbraw/zinc/42/57/82/446425782.db2.gz SVTWVBWJUBYILB-ZWKOTPCHSA-N 2 0 332.492 1.465 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC000452799576 446474797 /nfs/dbraw/zinc/47/47/97/446474797.db2.gz UADGRAKJUOCYHV-IRXDYDNUSA-N 2 0 325.497 1.460 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)NC1CC[NH+](C2CCC2)CC1 ZINC000418271104 446480322 /nfs/dbraw/zinc/48/03/22/446480322.db2.gz VDTWUFRYAIEDDM-UHFFFAOYSA-N 2 0 345.491 1.877 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418191165 446453751 /nfs/dbraw/zinc/45/37/51/446453751.db2.gz KKYGMACMSOVUKI-DZJNRPSUSA-N 2 0 328.460 1.510 20 0 EDADRP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323109 446490179 /nfs/dbraw/zinc/49/01/79/446490179.db2.gz FRZYXNKYZYDXHY-LZLYRXPVSA-N 2 0 345.487 1.940 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418333032 446504092 /nfs/dbraw/zinc/50/40/92/446504092.db2.gz URCIFJHYGAWHIY-DLBZAZTESA-N 2 0 331.464 1.249 20 0 EDADRP CN(C(=O)NCCC[NH3+])[C@@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418349618 446509346 /nfs/dbraw/zinc/50/93/46/446509346.db2.gz KRXOZSNEHOMIBE-IAGOWNOFSA-N 2 0 339.528 1.314 20 0 EDADRP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420340276 446511898 /nfs/dbraw/zinc/51/18/98/446511898.db2.gz ZVARFRDSOQRCOA-CVEARBPZSA-N 2 0 345.443 1.733 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388063 446512094 /nfs/dbraw/zinc/51/20/94/446512094.db2.gz MOVBIZVYHHVFBS-GJZGRUSLSA-N 3 0 325.497 1.676 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418360936 446513361 /nfs/dbraw/zinc/51/33/61/446513361.db2.gz KPSMIRDWNNOQQX-DOTOQJQBSA-N 2 0 339.528 1.219 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420343115 446515692 /nfs/dbraw/zinc/51/56/92/446515692.db2.gz RCLIZTFWIANHPN-XLMAVXFVSA-N 2 0 343.471 1.946 20 0 EDADRP c1cc(-c2noc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc2c1OCO2 ZINC000420330460 446499192 /nfs/dbraw/zinc/49/91/92/446499192.db2.gz IDLIIZDJNIUXCR-OKILXGFUSA-N 2 0 342.399 1.897 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000418368563 446517034 /nfs/dbraw/zinc/51/70/34/446517034.db2.gz MVNYEDJAWVOWGS-SJLPKXTDSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1)N[C@@H]1CCCC[NH2+]C1 ZINC000418370552 446517695 /nfs/dbraw/zinc/51/76/95/446517695.db2.gz PSAHKUIFJKWPCU-FGTMMUONSA-N 2 0 346.475 1.063 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423400991 446518117 /nfs/dbraw/zinc/51/81/17/446518117.db2.gz VOELKTKBDBSLBS-OAHLLOKOSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000423403912 446520245 /nfs/dbraw/zinc/52/02/45/446520245.db2.gz XKKPRCOKIWXILU-QFBILLFUSA-N 2 0 344.503 1.935 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc2nsnc21 ZINC000420346602 446522039 /nfs/dbraw/zinc/52/20/39/446522039.db2.gz YWAVUKRWPLOSRD-OLZOCXBDSA-N 2 0 345.472 1.951 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000418394985 446527828 /nfs/dbraw/zinc/52/78/28/446527828.db2.gz YFKNFBDHPFOVNP-IAGOWNOFSA-N 2 0 340.512 1.646 20 0 EDADRP COC[C@]1(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CCC[NH2+]1 ZINC000423421239 446528146 /nfs/dbraw/zinc/52/81/46/446528146.db2.gz XUTTUVNXVZASGF-GBESFXJTSA-N 2 0 333.476 1.847 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N(C)CC(C)(C)C[NH3+])C(C)C ZINC000423420439 446528726 /nfs/dbraw/zinc/52/87/26/446528726.db2.gz XBHLAXCQVQOSMA-UHFFFAOYSA-N 2 0 328.501 1.007 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420354705 446533148 /nfs/dbraw/zinc/53/31/48/446533148.db2.gz BIHRFRBFTKDLDA-LFEHRJTNSA-N 2 0 332.492 1.382 20 0 EDADRP C[C@H](COCc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153858 446538611 /nfs/dbraw/zinc/53/86/11/446538611.db2.gz XTOVWWTZRXAADT-MRXNPFEDSA-N 2 0 333.476 1.911 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCCC[NH+]2CCCCC2)CC1 ZINC000433169368 446543588 /nfs/dbraw/zinc/54/35/88/446543588.db2.gz QWOUOLDYECIAOD-UHFFFAOYSA-N 3 0 338.540 1.962 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420364519 446544447 /nfs/dbraw/zinc/54/44/47/446544447.db2.gz RAJDGLXLPUXSBB-KRWDZBQOSA-N 3 0 338.540 1.546 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418448464 446545611 /nfs/dbraw/zinc/54/56/11/446545611.db2.gz CMZMXNVACCEHAM-FUHWJXTLSA-N 2 0 330.476 1.887 20 0 EDADRP CCC[NH2+]CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418467189 446555143 /nfs/dbraw/zinc/55/51/43/446555143.db2.gz ICXCGFQHFCSKPA-QZTJIDSGSA-N 2 0 348.491 1.168 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)[C@@H]3C2)c1 ZINC000367766921 446587228 /nfs/dbraw/zinc/58/72/28/446587228.db2.gz GVTUQADNBIWSCI-NVXWUHKLSA-N 2 0 344.459 1.239 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423581947 446587575 /nfs/dbraw/zinc/58/75/75/446587575.db2.gz ZQSWBHGSKHMNEJ-GOSISDBHSA-N 2 0 342.491 1.640 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)CC1 ZINC000367790067 446590121 /nfs/dbraw/zinc/59/01/21/446590121.db2.gz DXNKUHRUJZZDDO-AEFFLSMTSA-N 2 0 336.524 1.534 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000418591696 446606534 /nfs/dbraw/zinc/60/65/34/446606534.db2.gz NQRPZOUAFAEUMX-NJAFHUGGSA-N 2 0 348.491 1.167 20 0 EDADRP CCCc1ccc(Cl)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])c1 ZINC000420457888 446636820 /nfs/dbraw/zinc/63/68/20/446636820.db2.gz OYNNXKYUQBLNHQ-UHFFFAOYSA-N 2 0 347.912 1.981 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418668540 446641584 /nfs/dbraw/zinc/64/15/84/446641584.db2.gz IIDAYZQDRVLXGY-INDMIFKZSA-N 2 0 342.487 1.900 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000418689328 446648731 /nfs/dbraw/zinc/64/87/31/446648731.db2.gz FYIICWMFVIBXQG-HNNXBMFYSA-N 2 0 327.517 1.219 20 0 EDADRP CC[C@H]1CN(C(=O)NCCC[C@H]2CCC[NH2+]2)CC[N@@H+]1CCOC ZINC000418743343 446664913 /nfs/dbraw/zinc/66/49/13/446664913.db2.gz CXWMXUJHDZQVBS-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000418743212 446665463 /nfs/dbraw/zinc/66/54/63/446665463.db2.gz SEHSLELWLGWALV-GVDBMIGSSA-N 2 0 338.496 1.258 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000423740636 446671274 /nfs/dbraw/zinc/67/12/74/446671274.db2.gz JBWQXWYHYXEVBN-RTBURBONSA-N 2 0 344.503 1.623 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000423740629 446671343 /nfs/dbraw/zinc/67/13/43/446671343.db2.gz JBWQXWYHYXEVBN-OALUTQOASA-N 2 0 344.503 1.623 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000423755080 446685938 /nfs/dbraw/zinc/68/59/38/446685938.db2.gz DBYQCHMJUQQIQR-MRXNPFEDSA-N 2 0 339.480 1.811 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000376748382 446693468 /nfs/dbraw/zinc/69/34/68/446693468.db2.gz ZALCFPBWWFTNHN-SFHVURJKSA-N 2 0 349.475 1.352 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767227 446694819 /nfs/dbraw/zinc/69/48/19/446694819.db2.gz ABCJWHSWKOJRFI-HJZRJOMTSA-N 2 0 345.487 1.910 20 0 EDADRP O=C([C@H]1COCCN1CC1CCC1)N1CCC[C@H](n2ccnc2)C1 ZINC000376750627 446696134 /nfs/dbraw/zinc/69/61/34/446696134.db2.gz UBKASXBNVZVYJF-DLBZAZTESA-N 2 0 332.448 1.548 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000418780788 446698668 /nfs/dbraw/zinc/69/86/68/446698668.db2.gz CGFVWOZECRSSQJ-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP CC[C@]1(C(=O)N2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCC[NH2+]1 ZINC000423786885 446699161 /nfs/dbraw/zinc/69/91/61/446699161.db2.gz BRGSCWPGKOMMJV-PKOBYXMFSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418795114 446705774 /nfs/dbraw/zinc/70/57/74/446705774.db2.gz RWQWEEYHHUHPNR-CVEARBPZSA-N 3 0 327.517 1.029 20 0 EDADRP COCC[NH2+]CC(=O)NCC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000423894606 446748265 /nfs/dbraw/zinc/74/82/65/446748265.db2.gz DZAFLQVEJARILV-AEFFLSMTSA-N 2 0 333.476 1.639 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1C1CCCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000437859211 446767643 /nfs/dbraw/zinc/76/76/43/446767643.db2.gz NNYOPTUPPSMUNG-MSOLQXFVSA-N 2 0 334.508 1.290 20 0 EDADRP COCCn1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cn1 ZINC000371338031 446786437 /nfs/dbraw/zinc/78/64/37/446786437.db2.gz XZPOEMVXFLDADY-SFHVURJKSA-N 2 0 335.496 1.130 20 0 EDADRP COC1([C@H](C)[NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCC1 ZINC000412020165 446788077 /nfs/dbraw/zinc/78/80/77/446788077.db2.gz JXSBMHLBLFATIR-JKSUJKDBSA-N 2 0 341.496 1.007 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000418838118 446743283 /nfs/dbraw/zinc/74/32/83/446743283.db2.gz APQDRSLMUZTMQR-OAHLLOKOSA-N 2 0 340.512 1.197 20 0 EDADRP C[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@H]1C[NH3+] ZINC000423992146 446812074 /nfs/dbraw/zinc/81/20/74/446812074.db2.gz FWPOICRISVJRNT-QFBILLFUSA-N 2 0 344.503 1.491 20 0 EDADRP CN(Cc1ncccn1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000423998466 446814789 /nfs/dbraw/zinc/81/47/89/446814789.db2.gz PFIRLCMSKWEYKJ-IKGGRYGDSA-N 2 0 345.491 1.807 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424035369 446827595 /nfs/dbraw/zinc/82/75/95/446827595.db2.gz FPAMCAGKKNNIBD-IAGOWNOFSA-N 3 0 330.476 1.224 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000368389321 446832089 /nfs/dbraw/zinc/83/20/89/446832089.db2.gz HHHIEYTWYSXSTK-AEFFLSMTSA-N 2 0 343.475 1.536 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)c1 ZINC000454283621 446833533 /nfs/dbraw/zinc/83/35/33/446833533.db2.gz ZWWCZCHNVWYESY-QGZVFWFLSA-N 2 0 334.464 1.717 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NC2CCC([NH+](C)C)CC2)C1 ZINC000420892878 446873160 /nfs/dbraw/zinc/87/31/60/446873160.db2.gz DBHNNUJTUJFMAS-JCYILVPMSA-N 2 0 340.512 1.515 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000441936143 446883105 /nfs/dbraw/zinc/88/31/05/446883105.db2.gz WZHVXBWUXIOHFX-UHFFFAOYSA-N 2 0 346.475 1.282 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000412316979 446931748 /nfs/dbraw/zinc/93/17/48/446931748.db2.gz ODJIJARBWINRGV-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)CC1 ZINC000368541361 446933212 /nfs/dbraw/zinc/93/32/12/446933212.db2.gz YQFJPJQNPCICBY-OAHLLOKOSA-N 2 0 337.430 1.792 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000419143158 446955517 /nfs/dbraw/zinc/95/55/17/446955517.db2.gz YYALFNFUKRTTPE-LSDHHAIUSA-N 2 0 340.512 1.070 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442777316 446965792 /nfs/dbraw/zinc/96/57/92/446965792.db2.gz IWKGVEAOHYRRCU-DZKIICNBSA-N 2 0 349.475 1.720 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000375704310 446987703 /nfs/dbraw/zinc/98/77/03/446987703.db2.gz BFMKYIUEZFFDRZ-YRXWBPOGSA-N 2 0 345.487 1.691 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2COc3ccccc3O2)C1 ZINC000443058985 447000354 /nfs/dbraw/zinc/00/03/54/447000354.db2.gz BPEJDMPGSDOZRS-GJZGRUSLSA-N 2 0 333.432 1.003 20 0 EDADRP CCc1ccccc1NC(=O)CNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443063093 447002069 /nfs/dbraw/zinc/00/20/69/447002069.db2.gz VUKLJHYMRWUTIE-HNNXBMFYSA-N 2 0 346.475 1.365 20 0 EDADRP C[C@H]1CN(C(=O)NCc2cnc3n2CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000377301509 447051195 /nfs/dbraw/zinc/05/11/95/447051195.db2.gz SAGKOZLTWKCHOQ-AWEZNQCLSA-N 2 0 349.479 1.206 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000372464511 447066732 /nfs/dbraw/zinc/06/67/32/447066732.db2.gz QOEXJELXTYZTPB-DINLJIAVSA-N 2 0 337.508 1.756 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000375908120 447139077 /nfs/dbraw/zinc/13/90/77/447139077.db2.gz VEIIXNADZNXVBE-VQIMIIECSA-N 2 0 335.467 1.959 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372576961 447157105 /nfs/dbraw/zinc/15/71/05/447157105.db2.gz WIXLWOSLTSHMRN-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnc(N(C)C)n1C ZINC000425375759 447131895 /nfs/dbraw/zinc/13/18/95/447131895.db2.gz DIEMOEXAAPTGIE-INIZCTEOSA-N 2 0 336.528 1.334 20 0 EDADRP Cn1ccnc1[C@@H]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000368913698 447199325 /nfs/dbraw/zinc/19/93/25/447199325.db2.gz MDHOPJANCWFCOG-CQSZACIVSA-N 2 0 331.464 1.936 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000377564666 447208441 /nfs/dbraw/zinc/20/84/41/447208441.db2.gz PMBVOCLFMZVAOK-MRXNPFEDSA-N 2 0 339.480 1.382 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000377588470 447227441 /nfs/dbraw/zinc/22/74/41/447227441.db2.gz SLAWHTPBRFJXGX-HNNXBMFYSA-N 2 0 325.453 1.180 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000425559314 447231021 /nfs/dbraw/zinc/23/10/21/447231021.db2.gz GPGKWVJREYZKAU-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000425560272 447231244 /nfs/dbraw/zinc/23/12/44/447231244.db2.gz JGBVVHFRBRSULJ-GBESFXJTSA-N 2 0 342.487 1.997 20 0 EDADRP CC[C@H](C(=O)NC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C)[NH+](C)C ZINC000413771132 447239205 /nfs/dbraw/zinc/23/92/05/447239205.db2.gz NWMNUAIDNIGZGP-RBSFLKMASA-N 2 0 342.528 1.314 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)ccc1C[NH+](C)C ZINC000415452977 447449425 /nfs/dbraw/zinc/44/94/25/447449425.db2.gz UINQHSUWWWGDMR-CZUORRHYSA-N 2 0 332.448 1.191 20 0 EDADRP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CCN(C)C)[NH+]1CCCCC1 ZINC000494850324 447460490 /nfs/dbraw/zinc/46/04/90/447460490.db2.gz KUCTUCNUYWTCCY-KRWDZBQOSA-N 2 0 326.529 1.497 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000458820135 447483203 /nfs/dbraw/zinc/48/32/03/447483203.db2.gz WNLKDKIDWHXXDV-HOTGVXAUSA-N 2 0 328.501 1.253 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH2+]C1 ZINC000389881785 447487594 /nfs/dbraw/zinc/48/75/94/447487594.db2.gz OQOQRKUBTXTOEF-SUMDDJOVSA-N 2 0 331.460 1.249 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495347608 447489418 /nfs/dbraw/zinc/48/94/18/447489418.db2.gz LRSQLBXLQRYZRX-OAHLLOKOSA-N 2 0 343.512 1.972 20 0 EDADRP CCN(CCO)CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000495382429 447499210 /nfs/dbraw/zinc/49/92/10/447499210.db2.gz PBSDZJZALJTXHO-HNNXBMFYSA-N 2 0 329.485 1.680 20 0 EDADRP C[C@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940324 447506369 /nfs/dbraw/zinc/50/63/69/447506369.db2.gz QFTFPAGUOUXYCK-QUCCMNQESA-N 2 0 345.487 1.783 20 0 EDADRP CCCN1Cc2cccc(NC(=O)C(=O)NC[C@H]([NH3+])C3CC3)c2C1 ZINC000415543946 447507692 /nfs/dbraw/zinc/50/76/92/447507692.db2.gz YLXKNFVCJMXZIG-HNNXBMFYSA-N 2 0 330.432 1.204 20 0 EDADRP C[N@@H+](CC(=O)N1CCN(Cc2ccsc2)CC1)C[C@H]1CCOC1 ZINC000494961271 447469639 /nfs/dbraw/zinc/46/96/39/447469639.db2.gz ZNFQOKVCILYGSW-OAHLLOKOSA-N 2 0 337.489 1.361 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@H]3CN(C)C(=O)O3)CC2)C[C@@H](C)O1 ZINC000495796188 447584640 /nfs/dbraw/zinc/58/46/40/447584640.db2.gz UCZQRXLPQLHWFH-BFYDXBDKSA-N 2 0 339.480 1.648 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000404519274 447599702 /nfs/dbraw/zinc/59/97/02/447599702.db2.gz UZBAWYQDFBKWRP-LISAXSMJSA-N 2 0 331.460 1.485 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1)C(C)C ZINC000420116647 447612265 /nfs/dbraw/zinc/61/22/65/447612265.db2.gz IEPBYYHBILJFBS-SFHVURJKSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C[NH+]1CCCCC1 ZINC000457903872 447666916 /nfs/dbraw/zinc/66/69/16/447666916.db2.gz GAMGHLYOPULICM-SJORKVTESA-N 2 0 340.512 1.254 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000457929461 447675576 /nfs/dbraw/zinc/67/55/76/447675576.db2.gz JRWQBLGSWRHABL-IKGGRYGDSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1C[C@H](C)[N@H+](CCC(=O)Nc2ccc(C(N)=O)cc2)C[C@H]1C[NH3+] ZINC000422634404 447680834 /nfs/dbraw/zinc/68/08/34/447680834.db2.gz JOKLVJDGTVIWLL-VNHYZAJKSA-N 2 0 332.448 1.419 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000416802701 447687531 /nfs/dbraw/zinc/68/75/31/447687531.db2.gz BJQZFAPFXINEPU-PMPSAXMXSA-N 2 0 332.448 1.810 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C[NH3+])C1 ZINC000416810987 447689838 /nfs/dbraw/zinc/68/98/38/447689838.db2.gz CEHKKRQLCRWFQD-CABCVRRESA-N 2 0 326.485 1.399 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc(OC)c1 ZINC000422833077 447763768 /nfs/dbraw/zinc/76/37/68/447763768.db2.gz YEPAOGOIBJIJAN-FCEWJHQRSA-N 2 0 336.476 1.962 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000416951838 447723586 /nfs/dbraw/zinc/72/35/86/447723586.db2.gz SEQFQTKRPHJMKY-OAGGEKHMSA-N 2 0 326.485 1.175 20 0 EDADRP COc1ccc([C@H](NC[C@H](C)N2CC[NH+](C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422733670 447733244 /nfs/dbraw/zinc/73/32/44/447733244.db2.gz BSJHWWNKUZFBQO-DBVUQKKJSA-N 2 0 346.519 1.714 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc3c(c2)OCO3)CC[NH2+]CC1 ZINC000422749451 447738057 /nfs/dbraw/zinc/73/80/57/447738057.db2.gz ZEAWNYDYULIMGV-CYBMUJFWSA-N 2 0 334.416 1.826 20 0 EDADRP Cc1cccc(N2CCC([NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)CC2)n1 ZINC000422757823 447741873 /nfs/dbraw/zinc/74/18/73/447741873.db2.gz JBGVLIANWHCEML-HKUYNNGSSA-N 3 0 330.476 1.715 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CCC[C@](O)(CO)C1)C1CC[NH+](C)CC1 ZINC000459713257 447749614 /nfs/dbraw/zinc/74/96/14/447749614.db2.gz KSSKTEQOFHWZMA-HXUWFJFHSA-N 2 0 347.503 1.536 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786615 447750130 /nfs/dbraw/zinc/75/01/30/447750130.db2.gz KWCIKHXHOWQXSN-RYUDHWBXSA-N 2 0 332.366 1.934 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2cccc(C(N)=O)c2)CC[NH2+]CC1 ZINC000422800314 447753605 /nfs/dbraw/zinc/75/36/05/447753605.db2.gz BESUMIPVQKYDGV-ZDUSSCGKSA-N 2 0 333.432 1.197 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2)CC1 ZINC000422820107 447758351 /nfs/dbraw/zinc/75/83/51/447758351.db2.gz OXSXZMHQTHVWDV-CEXWTWQISA-N 3 0 343.519 1.844 20 0 EDADRP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496396039 447763017 /nfs/dbraw/zinc/76/30/17/447763017.db2.gz HFPCKVKSASJIEO-WBAXXEDZSA-N 2 0 347.459 1.739 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422851406 447769917 /nfs/dbraw/zinc/76/99/17/447769917.db2.gz FMCQCBPCKMIAIB-WFGGJUAMSA-N 2 0 325.403 1.885 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1OCC(=O)NC[C@H]1CCCO1 ZINC000422951101 447778778 /nfs/dbraw/zinc/77/87/78/447778778.db2.gz XNOCPFTUMQNEEW-ZMSDIMECSA-N 2 0 349.475 1.576 20 0 EDADRP CC(C)[C@H]([NH3+])CC[N@H+](C)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000430564155 447779905 /nfs/dbraw/zinc/77/99/05/447779905.db2.gz AUFUUEZFZIFEPM-QGZVFWFLSA-N 2 0 347.507 1.426 20 0 EDADRP COc1ccc([C@@H](NCC2CC[NH+](CCO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422973079 447784793 /nfs/dbraw/zinc/78/47/93/447784793.db2.gz BDZCXXYHUNDVKM-VQTJNVASSA-N 2 0 347.503 1.782 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H](C[NH3+])C1 ZINC000430930405 447787866 /nfs/dbraw/zinc/78/78/66/447787866.db2.gz ALIWYTQAWUZGMA-SJLPKXTDSA-N 2 0 344.503 1.436 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462012139 447798102 /nfs/dbraw/zinc/79/81/02/447798102.db2.gz SUOOXTIEZXAFMT-BRWVUGGUSA-N 2 0 342.528 1.593 20 0 EDADRP CC(C)(C)[C@H](O)C[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423101772 447805430 /nfs/dbraw/zinc/80/54/30/447805430.db2.gz JHOHOQYWYRIQNO-CAUGKJMWSA-N 2 0 348.487 1.990 20 0 EDADRP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N(C)C)[C@H]1CCCC[NH2+]1 ZINC000423113949 447807925 /nfs/dbraw/zinc/80/79/25/447807925.db2.gz VALLVYCLUMXYHP-PYWTVGQWSA-N 3 0 336.524 1.580 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+]C1CCC([NH3+])CC1 ZINC000423115176 447808751 /nfs/dbraw/zinc/80/87/51/447808751.db2.gz XMKNJAXZFHDFME-UHFFFAOYSA-N 2 0 345.896 1.786 20 0 EDADRP C[C@H]([NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000496661378 447843144 /nfs/dbraw/zinc/84/31/44/447843144.db2.gz LVHPMAPGUZYHMM-SUMWQHHRSA-N 2 0 327.469 1.502 20 0 EDADRP CCO[C@@H](CC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000523310864 447878918 /nfs/dbraw/zinc/87/89/18/447878918.db2.gz CLWLFDOQHGPOTE-KRWDZBQOSA-N 2 0 334.464 1.525 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551867804 447911518 /nfs/dbraw/zinc/91/15/18/447911518.db2.gz ZVUKZBYCJKOWBQ-QZTJIDSGSA-N 2 0 331.460 1.345 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000576000901 447948939 /nfs/dbraw/zinc/94/89/39/447948939.db2.gz OOBTXEAVPBNSGX-NEWSRXKRSA-N 2 0 345.487 1.327 20 0 EDADRP CC[C@H]([NH3+])C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497179155 447928000 /nfs/dbraw/zinc/92/80/00/447928000.db2.gz PEELLHUHQIQKEC-XIRDDKMYSA-N 2 0 335.448 1.739 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000524436039 447930718 /nfs/dbraw/zinc/93/07/18/447930718.db2.gz IAFBQHKSYPFSHR-GOSISDBHSA-N 2 0 330.476 1.002 20 0 EDADRP O=C(CCCCN1CCOCC1)NCC1CCN(CC(F)F)CC1 ZINC000552122125 447935963 /nfs/dbraw/zinc/93/59/63/447935963.db2.gz JWRIXTIJGRTIQR-UHFFFAOYSA-N 2 0 347.450 1.582 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000525448120 448000167 /nfs/dbraw/zinc/00/01/67/448000167.db2.gz PBEOFFKBSHUKQQ-GOSISDBHSA-N 3 0 349.523 1.424 20 0 EDADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+]CCOCC[NH+](C)C ZINC000497244499 448000240 /nfs/dbraw/zinc/00/02/40/448000240.db2.gz PKPJKVFYZLXKCN-LSDHHAIUSA-N 2 0 329.485 1.800 20 0 EDADRP CC(C)CN(C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)C1CC[NH+](C)CC1 ZINC000570451846 448017522 /nfs/dbraw/zinc/01/75/22/448017522.db2.gz BFCCKINLTQJUTM-AWEZNQCLSA-N 2 0 333.480 1.679 20 0 EDADRP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000571065615 448104321 /nfs/dbraw/zinc/10/43/21/448104321.db2.gz LODWJKBEIJEUDD-RHSMWYFYSA-N 2 0 348.495 1.553 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000527084059 448155654 /nfs/dbraw/zinc/15/56/54/448155654.db2.gz YOVRRRVDXVKUJD-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000576688025 448114126 /nfs/dbraw/zinc/11/41/26/448114126.db2.gz MRJBRQPCFJPABC-MAUKXSAKSA-N 2 0 330.476 1.948 20 0 EDADRP CO[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)[C@H](C[NH3+])C1 ZINC000576706813 448121477 /nfs/dbraw/zinc/12/14/77/448121477.db2.gz ALCSUABLZJTVQP-FGTMMUONSA-N 2 0 346.475 1.258 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000492107689 448181915 /nfs/dbraw/zinc/18/19/15/448181915.db2.gz ILTKNANMLCGCKW-ARJAWSKDSA-N 2 0 349.450 1.903 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000577366244 448276614 /nfs/dbraw/zinc/27/66/14/448276614.db2.gz PSEIYSWVABAPFG-QUCCMNQESA-N 2 0 333.520 1.843 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCc2c[nH]c3ccc(F)cc23)CC1 ZINC000572150234 448302516 /nfs/dbraw/zinc/30/25/16/448302516.db2.gz LJJNFWQAPIFLQK-KRWDZBQOSA-N 2 0 348.466 1.438 20 0 EDADRP CCOC(=O)CC[C@H]1CCC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272366 448303001 /nfs/dbraw/zinc/30/30/01/448303001.db2.gz CALRFIHJUPSFHZ-CVEARBPZSA-N 2 0 339.480 1.239 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000515851828 448357839 /nfs/dbraw/zinc/35/78/39/448357839.db2.gz INLBMMAXRJYJMK-HRCADAONSA-N 2 0 333.480 1.685 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000566181434 448406582 /nfs/dbraw/zinc/40/65/82/448406582.db2.gz GRSUFXREICSKSL-GOSISDBHSA-N 2 0 331.460 1.790 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+]1C1CCCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000528283709 448474880 /nfs/dbraw/zinc/47/48/80/448474880.db2.gz CKLGYMNCWRIMLG-GOSISDBHSA-N 2 0 343.475 1.930 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)c3ccnc(C[NH3+])c3)cc2)CC1 ZINC000578353669 448526943 /nfs/dbraw/zinc/52/69/43/448526943.db2.gz QYNYVTMACHYETB-UHFFFAOYSA-N 2 0 339.443 1.540 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513017 448565489 /nfs/dbraw/zinc/56/54/89/448565489.db2.gz IBNNHRITDYSFAU-SJORKVTESA-N 2 0 335.496 1.709 20 0 EDADRP c1c(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nnn1Cc1cccnc1 ZINC000573120311 448548833 /nfs/dbraw/zinc/54/88/33/448548833.db2.gz LVHMZSBSDNAOKA-IRXDYDNUSA-N 2 0 326.448 1.543 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000573340120 448604455 /nfs/dbraw/zinc/60/44/55/448604455.db2.gz JHVBXWBHTUIRLK-LJQANCHMSA-N 2 0 342.487 1.865 20 0 EDADRP CN(C(=O)Nc1ccc(CCN2CCOCC2)cc1)C1CC[NH2+]CC1 ZINC000573340684 448604698 /nfs/dbraw/zinc/60/46/98/448604698.db2.gz ANJQDOPLKDIIAU-UHFFFAOYSA-N 2 0 346.475 1.777 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[NH2+]1 ZINC000517712880 448607704 /nfs/dbraw/zinc/60/77/04/448607704.db2.gz LSYARHHWOYVYID-GOEBONIOSA-N 2 0 337.489 1.704 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000578730490 448618853 /nfs/dbraw/zinc/61/88/53/448618853.db2.gz GKXJVLMILCABGT-HOTGVXAUSA-N 2 0 339.528 1.090 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]1CCC[NH+](C)C1 ZINC000518045399 448641796 /nfs/dbraw/zinc/64/17/96/448641796.db2.gz SHAOSARWCVLADS-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1 ZINC000528723893 448646115 /nfs/dbraw/zinc/64/61/15/448646115.db2.gz ZHXAQULVNHZFPP-OAHLLOKOSA-N 2 0 334.420 1.011 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C[C@H]2CSCC[NH2+]2)CC1 ZINC000518179380 448651994 /nfs/dbraw/zinc/65/19/94/448651994.db2.gz ZJWAYMVCMQMPNU-AWEZNQCLSA-N 2 0 329.510 1.041 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)C1CC1 ZINC000567573754 448716196 /nfs/dbraw/zinc/71/61/96/448716196.db2.gz CZKUPHDIRBQLQR-SJLPKXTDSA-N 2 0 337.508 1.852 20 0 EDADRP O=C(Nc1ccc(OCC[NH+]2CCCCC2)cc1)N1CC[NH2+]CC1 ZINC000579328922 448767449 /nfs/dbraw/zinc/76/74/49/448767449.db2.gz GPMAJZJLCSOWII-UHFFFAOYSA-N 2 0 332.448 1.988 20 0 EDADRP [NH3+]CC1(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000529291263 448809234 /nfs/dbraw/zinc/80/92/34/448809234.db2.gz ORLWQLANIJLTNK-QGZVFWFLSA-N 2 0 346.475 1.458 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568056866 448809629 /nfs/dbraw/zinc/80/96/29/448809629.db2.gz DEMCOJGWSVGPBQ-CQSZACIVSA-N 2 0 347.459 1.539 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000568056865 448809791 /nfs/dbraw/zinc/80/97/91/448809791.db2.gz DEMCOJGWSVGPBQ-AWEZNQCLSA-N 2 0 347.459 1.539 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000529296971 448812301 /nfs/dbraw/zinc/81/23/01/448812301.db2.gz HAXVPCYKEASXFU-NVXWUHKLSA-N 2 0 346.475 1.629 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000579369611 448780183 /nfs/dbraw/zinc/78/01/83/448780183.db2.gz HLEVDKUWOGTNFU-MHORFTMASA-N 2 0 327.513 1.263 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000574142080 448798815 /nfs/dbraw/zinc/79/88/15/448798815.db2.gz YOOQJGMKOBDPNF-YYIAUSFCSA-N 2 0 338.496 1.031 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]([NH3+])C3CCC3)nc2)CC1 ZINC000519776368 448842275 /nfs/dbraw/zinc/84/22/75/448842275.db2.gz RTVRZOKKLFRWKF-QGZVFWFLSA-N 2 0 331.464 1.678 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]CCC(=O)Nc2cc(C)on2)c1 ZINC000568383988 448864832 /nfs/dbraw/zinc/86/48/32/448864832.db2.gz RFVSDJZTYKWMQG-UHFFFAOYSA-N 2 0 330.432 2.553 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn4c3[C@H](C[NH3+])CCC4)CC[C@H]21 ZINC000592564093 448902228 /nfs/dbraw/zinc/90/22/28/448902228.db2.gz FJDSSEQUGFBDNX-SQWLQELKSA-N 2 0 331.464 1.276 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000520586570 448913490 /nfs/dbraw/zinc/91/34/90/448913490.db2.gz CPGQDJCNNJEWTO-WMZOPIPTSA-N 2 0 331.460 1.346 20 0 EDADRP C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000547787140 448929150 /nfs/dbraw/zinc/92/91/50/448929150.db2.gz JIXVFRFPSMVJRA-CGTJXYLNSA-N 2 0 333.476 1.498 20 0 EDADRP c1cc2c(cc1CN1CC[NH+](CC[C@@H]3CCC[NH2+]C3)CC1)OCCO2 ZINC000579839094 448893314 /nfs/dbraw/zinc/89/33/14/448893314.db2.gz KWWGXFVIGWATOL-KRWDZBQOSA-N 2 0 345.487 1.965 20 0 EDADRP CN(C)[C@H](C(=O)NCCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000521040226 448949314 /nfs/dbraw/zinc/94/93/14/448949314.db2.gz OQDBIQIDZSVQQQ-SFHVURJKSA-N 2 0 332.492 1.433 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000588981890 448956431 /nfs/dbraw/zinc/95/64/31/448956431.db2.gz YYOPTTODMFSRJA-UHFFFAOYSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@@]1(CO)CCC[NH+]1Cc1cncc(C[N@H+]2CCC[C@@]2(C)CO)c1 ZINC000569075647 448956834 /nfs/dbraw/zinc/95/68/34/448956834.db2.gz XJPQILUUCVCZNR-OALUTQOASA-N 2 0 333.476 1.775 20 0 EDADRP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC(=O)N2CC[NH2+]CC2)cc1 ZINC000569093413 448960413 /nfs/dbraw/zinc/96/04/13/448960413.db2.gz RWVBRWIFXLWJCF-LIMHQNJXSA-N 2 0 345.487 1.984 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000582074161 449005889 /nfs/dbraw/zinc/00/58/89/449005889.db2.gz DIJWTPFRTWQVQT-QZTJIDSGSA-N 2 0 330.476 1.697 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592959752 449083344 /nfs/dbraw/zinc/08/33/44/449083344.db2.gz PQMDMZSDEUAORY-BMFZPTHFSA-N 2 0 331.464 1.418 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)S(C)(=O)=O ZINC000521994893 449037681 /nfs/dbraw/zinc/03/76/81/449037681.db2.gz IUHFZDDREPHTKE-AWEZNQCLSA-N 2 0 340.489 1.166 20 0 EDADRP CN(C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000575359582 449084569 /nfs/dbraw/zinc/08/45/69/449084569.db2.gz BBYLIAZBXTVPPE-IEBWSBKVSA-N 2 0 331.460 1.868 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227632 449088396 /nfs/dbraw/zinc/08/83/96/449088396.db2.gz UJPOSJUHEXPYQS-NMLBUPMWSA-N 2 0 329.488 1.865 20 0 EDADRP C[C@H]1CCC[N@H+](CCC(=O)NC(=O)NCC(F)(F)F)[C@H]1CC[NH3+] ZINC000593730816 449165836 /nfs/dbraw/zinc/16/58/36/449165836.db2.gz HLLAMUXFXKZCQD-QWRGUYRKSA-N 2 0 338.374 1.214 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)N[C@H]3CC[NH+]4CCCC[C@H]34)C2)CC1 ZINC000604175758 449185438 /nfs/dbraw/zinc/18/54/38/449185438.db2.gz AFFAOUOJXHCCIA-RYQLBKOJSA-N 2 0 349.523 1.081 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3cccc4c3C[NH2+]C4)C2)CC1 ZINC000595929609 449259891 /nfs/dbraw/zinc/25/98/91/449259891.db2.gz MSNPQMWFZRTBJE-MRXNPFEDSA-N 2 0 328.460 1.142 20 0 EDADRP CS[C@H]1CCN(C(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)C1 ZINC000590925574 449345162 /nfs/dbraw/zinc/34/51/62/449345162.db2.gz HGSDYRWVBGAOSS-HIFRSBDPSA-N 2 0 326.510 1.302 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCCC[NH+]2CCN(C)CC2)CC1 ZINC000590955167 449357431 /nfs/dbraw/zinc/35/74/31/449357431.db2.gz KTSWMOXTDKAHAV-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP CS[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH+]1CCCC1 ZINC000602136798 449374742 /nfs/dbraw/zinc/37/47/42/449374742.db2.gz UKHKQMFFWKAOCW-JKSUJKDBSA-N 2 0 337.533 1.901 20 0 EDADRP Cn1nc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000602278058 449485385 /nfs/dbraw/zinc/48/53/85/449485385.db2.gz QTQZRAAMUNEMAY-OAHLLOKOSA-N 2 0 327.476 1.831 20 0 EDADRP C[C@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000607246749 449590555 /nfs/dbraw/zinc/59/05/55/449590555.db2.gz QLSJFUPDWXGGRU-HNNXBMFYSA-N 2 0 340.512 1.205 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1([S@](C)=O)CC[NH2+]CC1 ZINC000602471485 449618110 /nfs/dbraw/zinc/61/81/10/449618110.db2.gz NHDCUSUIPKFDJF-WNSKOXEYSA-N 2 0 343.537 1.258 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000614503907 449651450 /nfs/dbraw/zinc/65/14/50/449651450.db2.gz SUGNFMSTQARWHP-QZTJIDSGSA-N 2 0 330.476 1.186 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602549197 449668027 /nfs/dbraw/zinc/66/80/27/449668027.db2.gz SOZUHVFPZIPKIJ-OAHLLOKOSA-N 2 0 334.464 1.450 20 0 EDADRP C[S@@](=O)C1(C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000602521436 449646113 /nfs/dbraw/zinc/64/61/13/449646113.db2.gz OIWXIZNCXGUKHV-LFVRLGFBSA-N 2 0 341.521 1.010 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCC(CC(=O)OC)CC2)CC1 ZINC000599018946 449700302 /nfs/dbraw/zinc/70/03/02/449700302.db2.gz HCMFPJNNWWODJN-GTPINHCMSA-N 2 0 325.497 1.724 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000594940606 449814696 /nfs/dbraw/zinc/81/46/96/449814696.db2.gz PBXXODBRYGAZHK-NIKGAXFTSA-N 2 0 346.471 1.931 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000595013285 449841307 /nfs/dbraw/zinc/84/13/07/449841307.db2.gz RTXHYGNHVALZNN-CVEARBPZSA-N 2 0 327.513 1.827 20 0 EDADRP CCN(C#N)CC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000602776700 449800469 /nfs/dbraw/zinc/80/04/69/449800469.db2.gz AGWIGPTUVSFMJW-UHFFFAOYSA-N 2 0 335.540 1.917 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)CC1 ZINC000614964640 449897367 /nfs/dbraw/zinc/89/73/67/449897367.db2.gz TXAGMKWPTVFAEV-UHFFFAOYSA-N 2 0 349.519 1.966 20 0 EDADRP C[C@@]1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]C1 ZINC000612891253 449930202 /nfs/dbraw/zinc/93/02/02/449930202.db2.gz CXSAOSIPTGZHCT-QGZVFWFLSA-N 2 0 338.496 1.320 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C1CC[NH+](C)CC1 ZINC000608692689 449911301 /nfs/dbraw/zinc/91/13/01/449911301.db2.gz MZURXUXAVJEQNU-DOTOQJQBSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@]1(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH2+]C1 ZINC000612874935 449921446 /nfs/dbraw/zinc/92/14/46/449921446.db2.gz IAVBHSZDCVUHMV-HKUYNNGSSA-N 2 0 330.476 1.602 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000612967427 449962968 /nfs/dbraw/zinc/96/29/68/449962968.db2.gz LHQVXSSVVIJKHQ-KRWDZBQOSA-N 2 0 343.475 1.487 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000612985897 449971868 /nfs/dbraw/zinc/97/18/68/449971868.db2.gz XNEWTJYKBMMSPO-QGZVFWFLSA-N 2 0 330.476 1.732 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCCC[NH+](C)C)CC1 ZINC000623366842 450506907 /nfs/dbraw/zinc/50/69/07/450506907.db2.gz LJHUHJLFBNVOQE-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC[N@H+](CCN1C(=O)N[C@@H](C)C1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063708 450566230 /nfs/dbraw/zinc/56/62/30/450566230.db2.gz MYFPGCGRKQQFAM-AWEZNQCLSA-N 2 0 332.448 1.510 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000623709880 450569541 /nfs/dbraw/zinc/56/95/41/450569541.db2.gz LOORRZYULDRWIK-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[NH+]1CC1(C[N@H+]2CC[C@@H](CO)C[C@H]2C)COC1 ZINC000626120612 450578460 /nfs/dbraw/zinc/57/84/60/450578460.db2.gz IURXFVDJTMSQFP-BRSBDYLESA-N 2 0 340.508 1.189 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)C1 ZINC000631576580 450662938 /nfs/dbraw/zinc/66/29/38/450662938.db2.gz BRXMUWDHPNJJES-TWMKSMIVSA-N 2 0 335.492 1.511 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@@H]2CCC[C@H]21 ZINC000624116968 450712910 /nfs/dbraw/zinc/71/29/10/450712910.db2.gz CNWKGAIERSXXSP-FXUDXRNXSA-N 2 0 341.463 1.165 20 0 EDADRP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)c2ccccc21 ZINC000629525288 450726442 /nfs/dbraw/zinc/72/64/42/450726442.db2.gz XIHICKNEPMTERR-WQVCFCJDSA-N 2 0 335.415 1.437 20 0 EDADRP O[C@H](CNc1ccc(CC[NH+]2CCOCC2)cc1)C[NH+]1CCCC1 ZINC000629581712 450748694 /nfs/dbraw/zinc/74/86/94/450748694.db2.gz GPVQIHZWGKFTPQ-LJQANCHMSA-N 2 0 333.476 1.430 20 0 EDADRP O[C@H](C[NH2+]C[C@H]1CCN1C1CCCCC1)COC1CCOCC1 ZINC000629604313 450758995 /nfs/dbraw/zinc/75/89/95/450758995.db2.gz JLPFRBYSDFSQEQ-IAGOWNOFSA-N 2 0 326.481 1.540 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)C1CCCCC1 ZINC000635282883 450813945 /nfs/dbraw/zinc/81/39/45/450813945.db2.gz FGRFYJLHAPCJSG-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000631830082 450802250 /nfs/dbraw/zinc/80/22/50/450802250.db2.gz IXOVCWBMPFYEBU-XHSDSOJGSA-N 2 0 333.480 1.424 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNS(=O)(=O)CCC[NH+](C)C)c1ccccc1 ZINC000631897620 450855973 /nfs/dbraw/zinc/85/59/73/450855973.db2.gz LDKNASWIXYLXJP-HNNXBMFYSA-N 2 0 341.521 1.987 20 0 EDADRP C[N@H+](CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000629955166 450914787 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CCN(CC[NH3+])C(=O)NC[C@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000626922768 451006019 /nfs/dbraw/zinc/00/60/19/451006019.db2.gz DVEDFBPKOZLOIE-QGZVFWFLSA-N 2 0 334.464 1.822 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000626922890 451006131 /nfs/dbraw/zinc/00/61/31/451006131.db2.gz HTKBJPRVTOHYJB-NVXWUHKLSA-N 2 0 332.448 1.493 20 0 EDADRP [NH3+]CC1(NC(=O)NCc2ccccc2C[NH+]2CCCC2)CCOCC1 ZINC000626927741 451011901 /nfs/dbraw/zinc/01/19/01/451011901.db2.gz ZITXXQYOCDRBMJ-UHFFFAOYSA-N 2 0 346.475 1.590 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000626935022 451017704 /nfs/dbraw/zinc/01/77/04/451017704.db2.gz VASSNAVHOJTTSA-AWEZNQCLSA-N 2 0 328.482 1.228 20 0 EDADRP C[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000626952710 451030689 /nfs/dbraw/zinc/03/06/89/451030689.db2.gz GRRJLMRNTDAECL-OAHLLOKOSA-N 2 0 346.475 1.240 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000626963590 451038259 /nfs/dbraw/zinc/03/82/59/451038259.db2.gz TXUSSPONIZMTPP-GJZGRUSLSA-N 2 0 336.436 1.013 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627008681 451072532 /nfs/dbraw/zinc/07/25/32/451072532.db2.gz DXXBJQJLIRZXCS-OAHLLOKOSA-N 2 0 334.464 1.314 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627014673 451079378 /nfs/dbraw/zinc/07/93/78/451079378.db2.gz DDRKTGYPCMZJQL-QZTJIDSGSA-N 2 0 348.491 1.431 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627023470 451086335 /nfs/dbraw/zinc/08/63/35/451086335.db2.gz VHQDWRQXHNRYOG-GOSISDBHSA-N 2 0 348.491 1.386 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000627038812 451095218 /nfs/dbraw/zinc/09/52/18/451095218.db2.gz OJGPCJSWWDIDAI-SJLPKXTDSA-N 2 0 348.491 1.527 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)CC[C@H]1C(F)(F)F ZINC000626982875 451051187 /nfs/dbraw/zinc/05/11/87/451051187.db2.gz VHTAIHPXAMFIQQ-HZSPNIEDSA-N 2 0 348.413 1.639 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000627114605 451131635 /nfs/dbraw/zinc/13/16/35/451131635.db2.gz HRLRXILKBGQISN-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000627116807 451132828 /nfs/dbraw/zinc/13/28/28/451132828.db2.gz NNHUEBLNBMSIGR-IRXDYDNUSA-N 2 0 338.496 1.271 20 0 EDADRP CN(C(=O)N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000627130250 451140828 /nfs/dbraw/zinc/14/08/28/451140828.db2.gz OTRXNAQAWLMCIP-IAGOWNOFSA-N 2 0 349.523 1.081 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)NCC2([NH3+])CCOCC2)c1 ZINC000627153446 451150428 /nfs/dbraw/zinc/15/04/28/451150428.db2.gz YFBURKLVKHCMEI-UHFFFAOYSA-N 2 0 348.491 1.576 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)C[NH2+]1 ZINC000627195567 451180353 /nfs/dbraw/zinc/18/03/53/451180353.db2.gz CGVYFGNHDAJVSA-DOTOQJQBSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000635784352 451237770 /nfs/dbraw/zinc/23/77/70/451237770.db2.gz DVXAEPZCCAGMNH-MSOLQXFVSA-N 2 0 331.460 1.354 20 0 EDADRP C[NH+](C)CC1(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000635785271 451238999 /nfs/dbraw/zinc/23/89/99/451238999.db2.gz JWDUBFLVMGDFJW-QGZVFWFLSA-N 2 0 331.460 1.211 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638098455 451263504 /nfs/dbraw/zinc/26/35/04/451263504.db2.gz GCEOMVCJQGUXPW-KRWDZBQOSA-N 2 0 331.460 1.102 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)s2)[C@@H](C)C1 ZINC000638111451 451279520 /nfs/dbraw/zinc/27/95/20/451279520.db2.gz DZLHZLYWPFNRNF-AAEUAGOBSA-N 2 0 331.507 1.558 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120744 451290474 /nfs/dbraw/zinc/29/04/74/451290474.db2.gz CCQRQUXESXHWAN-RBUKOAKNSA-N 2 0 344.503 1.390 20 0 EDADRP CO[C@@]1(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)CCOC1 ZINC000638151528 451324019 /nfs/dbraw/zinc/32/40/19/451324019.db2.gz FJVMLNNTFXTURP-GOSISDBHSA-N 2 0 325.497 1.282 20 0 EDADRP O=C(N[C@@H]1Cc2cncn2C1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000636587628 451327359 /nfs/dbraw/zinc/32/73/59/451327359.db2.gz IAIQBPFBYHUFTN-IAGOWNOFSA-N 2 0 339.443 1.772 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638198510 451351246 /nfs/dbraw/zinc/35/12/46/451351246.db2.gz CBXVEMBTUKWHDC-QZTJIDSGSA-N 2 0 344.503 1.756 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928380 451372412 /nfs/dbraw/zinc/37/24/12/451372412.db2.gz FMYOPRZFZZAXOB-QRFRQXIXSA-N 2 0 345.487 1.591 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N[C@@H]3CC[NH2+]C3(C)C)ccc2[nH]c1=O ZINC000638271018 451390580 /nfs/dbraw/zinc/39/05/80/451390580.db2.gz PYZNDSRYPZRWCH-OAHLLOKOSA-N 2 0 345.447 1.174 20 0 EDADRP CO[C@]1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCOC1 ZINC000638272680 451391684 /nfs/dbraw/zinc/39/16/84/451391684.db2.gz AOARHHUDNJTFTM-IBGZPJMESA-N 2 0 334.460 1.538 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638274430 451393167 /nfs/dbraw/zinc/39/31/67/451393167.db2.gz FVYTYWDIMCOXCK-VQIMIIECSA-N 2 0 346.519 1.634 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)Cc2cccc3c2CC[NH2+]C3)C1 ZINC000638285584 451403124 /nfs/dbraw/zinc/40/31/24/451403124.db2.gz JGDXKZFBQLHVBK-PKOBYXMFSA-N 2 0 327.472 1.818 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000638346424 451449484 /nfs/dbraw/zinc/44/94/84/451449484.db2.gz BWIBYAXNXIPUOO-KRWDZBQOSA-N 3 0 328.460 1.144 20 0 EDADRP [NH3+]C1(CNC(=O)COCC(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000638347358 451450357 /nfs/dbraw/zinc/45/03/57/451450357.db2.gz PXANNNFVVMKPIQ-UHFFFAOYSA-N 2 0 341.402 1.378 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638360103 451459393 /nfs/dbraw/zinc/45/93/93/451459393.db2.gz OLALLDPTDMZNBH-UHFFFAOYSA-N 2 0 328.407 1.361 20 0 EDADRP Cn1ncnc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638385437 451478605 /nfs/dbraw/zinc/47/86/05/451478605.db2.gz DJFNIVJRQDIBEU-UHFFFAOYSA-N 2 0 328.464 1.507 20 0 EDADRP C[C@@H]([NH2+]C[C@@]1(O)CCN(Cc2ccccc2)C1)C1=CC[N@H+](C)CC1 ZINC000634710609 451489261 /nfs/dbraw/zinc/48/92/61/451489261.db2.gz BHRGGRJTRZHSAZ-XLIONFOSSA-N 2 0 329.488 1.863 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@@H]3CCC[NH2+]C3)CC2)c1 ZINC000638403018 451490661 /nfs/dbraw/zinc/49/06/61/451490661.db2.gz QCZBGMGTHDJHNJ-AEFFLSMTSA-N 2 0 331.460 1.933 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[NH2+]C[C@@H]2c2ccccc2)cn1 ZINC000638342845 451446724 /nfs/dbraw/zinc/44/67/24/451446724.db2.gz OFUWNSGPGHTULY-QGZVFWFLSA-N 2 0 327.432 1.231 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@H](C)O1 ZINC000630865064 451446886 /nfs/dbraw/zinc/44/68/86/451446886.db2.gz APFAPTLMKFHZBC-SOLBZPMBSA-N 2 0 346.475 1.523 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccccc1 ZINC000636782303 451503975 /nfs/dbraw/zinc/50/39/75/451503975.db2.gz RDSGTPZGMASCTO-WBVHZDCISA-N 2 0 348.491 1.482 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@]34CCC[C@@H]3C[NH2+]C4)c2)CC1 ZINC000634768431 451537058 /nfs/dbraw/zinc/53/70/58/451537058.db2.gz JWTPQKFYDHOWFB-QUCCMNQESA-N 2 0 342.487 1.306 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638514697 451553755 /nfs/dbraw/zinc/55/37/55/451553755.db2.gz WHYMBDSADPUOSK-ROUUACIJSA-N 2 0 333.476 1.719 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000638527834 451559782 /nfs/dbraw/zinc/55/97/82/451559782.db2.gz ZUPDXTWEFZJMHW-CJNGLKHVSA-N 2 0 332.448 1.305 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CCCc2cccc(C[NH3+])c21 ZINC000638543102 451569920 /nfs/dbraw/zinc/56/99/20/451569920.db2.gz QDMOOJOYJIKDCD-UHFFFAOYSA-N 2 0 349.475 1.409 20 0 EDADRP C[C@H](C[NH2+]Cc1cccn(C(F)F)c1=O)CN1CC[NH+](C)CC1 ZINC000638553319 451573750 /nfs/dbraw/zinc/57/37/50/451573750.db2.gz RYBMTMFANJLRBC-CYBMUJFWSA-N 2 0 328.407 1.217 20 0 EDADRP O=S(=O)(N[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1CC1 ZINC000631253280 451664447 /nfs/dbraw/zinc/66/44/47/451664447.db2.gz FKYMHIISKDWPAL-XOSAIJSUSA-N 2 0 341.521 1.596 20 0 EDADRP CN(CCC[NH2+]Cc1ccncc1Br)CC[NH+](C)C ZINC000631179474 451628295 /nfs/dbraw/zinc/62/82/95/451628295.db2.gz DIKMLQCRNCGEFX-UHFFFAOYSA-N 2 0 329.286 1.817 20 0 EDADRP O=C1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCN1 ZINC000638717652 451664818 /nfs/dbraw/zinc/66/48/18/451664818.db2.gz AHCRTSXAISGUDP-KRWDZBQOSA-N 2 0 331.460 1.402 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638766922 451684357 /nfs/dbraw/zinc/68/43/57/451684357.db2.gz ZINGCAKVZCDOLN-BOLBYERCSA-N 2 0 343.471 1.392 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000638786329 451692234 /nfs/dbraw/zinc/69/22/34/451692234.db2.gz MBUZHIUYDXKSGS-MSOLQXFVSA-N 2 0 347.459 1.312 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000638883285 451718739 /nfs/dbraw/zinc/71/87/39/451718739.db2.gz ZPJVZSXWACMWHT-MJGOQNOKSA-N 2 0 341.455 1.641 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638847481 451709314 /nfs/dbraw/zinc/70/93/14/451709314.db2.gz OTTVCFDWNYTILX-UHFFFAOYSA-N 2 0 331.460 1.307 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000638727645 451668026 /nfs/dbraw/zinc/66/80/26/451668026.db2.gz HMDQWEMHFCQHJT-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638737947 451670715 /nfs/dbraw/zinc/67/07/15/451670715.db2.gz GSEBGYJSPWIHSK-UHFFFAOYSA-N 3 0 327.513 1.047 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636473573 451726481 /nfs/dbraw/zinc/72/64/81/451726481.db2.gz CQKVHGKDFGRJDM-MSOLQXFVSA-N 2 0 348.491 1.435 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000637117905 451729979 /nfs/dbraw/zinc/72/99/79/451729979.db2.gz DVCMVIWEKGSFHR-IRXDYDNUSA-N 2 0 338.496 1.149 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000637138551 451738488 /nfs/dbraw/zinc/73/84/88/451738488.db2.gz QLGAKEUYQLRYTD-JFIYKMOQSA-N 2 0 348.491 1.352 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000638974526 451744307 /nfs/dbraw/zinc/74/43/07/451744307.db2.gz AABCDDRLRJCCBM-SPYBWZPUSA-N 2 0 337.508 1.852 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000639020393 451753066 /nfs/dbraw/zinc/75/30/66/451753066.db2.gz FGVSGLPAGGALLS-OTWHNJEPSA-N 2 0 342.487 1.894 20 0 EDADRP Cn1nc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccccc21 ZINC000639058469 451759632 /nfs/dbraw/zinc/75/96/32/451759632.db2.gz NQBJTFJNDDWLBV-UHFFFAOYSA-N 2 0 330.476 1.941 20 0 EDADRP C[NH2+]C(C)(C)c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229341 451790751 /nfs/dbraw/zinc/79/07/51/451790751.db2.gz HXLSGUHBZNCPQL-SFHVURJKSA-N 2 0 329.448 1.370 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[NH2+]CC2)CCCCCC1 ZINC000642220651 451840185 /nfs/dbraw/zinc/84/01/85/451840185.db2.gz ZGXTZPQHFTZHNG-OAHLLOKOSA-N 2 0 338.496 1.016 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cn1 ZINC000639307732 451817946 /nfs/dbraw/zinc/81/79/46/451817946.db2.gz GIHRVXNCXBVUHX-IBGZPJMESA-N 2 0 328.460 1.709 20 0 EDADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)COC1CCOCC1 ZINC000644613271 451895760 /nfs/dbraw/zinc/89/57/60/451895760.db2.gz RKYBOUATMHBBHG-GOSISDBHSA-N 2 0 349.475 1.444 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cncn2C1 ZINC000649210876 451907105 /nfs/dbraw/zinc/90/71/05/451907105.db2.gz PXCFIYKGILPFSK-SJLPKXTDSA-N 2 0 347.507 1.320 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1)[NH+]1CCCC1 ZINC000649278038 451949718 /nfs/dbraw/zinc/94/97/18/451949718.db2.gz HFSWLSVUJFTAGS-SIXLDLHFSA-N 2 0 329.444 1.699 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000649271547 451944202 /nfs/dbraw/zinc/94/42/02/451944202.db2.gz LWFCXVKPMWQUOQ-LJQANCHMSA-N 2 0 344.503 1.405 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000649272877 451945222 /nfs/dbraw/zinc/94/52/22/451945222.db2.gz LXNGEQWDUSUJIU-SZMVWBNQSA-N 2 0 341.459 1.045 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649280946 451953018 /nfs/dbraw/zinc/95/30/18/451953018.db2.gz XMPPJIHLSYPCKZ-HZPDHXFCSA-N 2 0 339.867 1.813 20 0 EDADRP COC[C@@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CCC[NH2+]1 ZINC000649287589 451961115 /nfs/dbraw/zinc/96/11/15/451961115.db2.gz SEQLUVSDXDWLOR-HXUWFJFHSA-N 2 0 345.487 1.798 20 0 EDADRP COCCC1(C(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000649293963 451969444 /nfs/dbraw/zinc/96/94/44/451969444.db2.gz UNWDRWSCUPJMKF-IAGOWNOFSA-N 2 0 339.524 1.877 20 0 EDADRP CCCn1ccnc1CCC[N@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639611581 451974460 /nfs/dbraw/zinc/97/44/60/451974460.db2.gz BNOHQWRYXLAOFF-MRXNPFEDSA-N 2 0 339.480 1.450 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649310521 451987847 /nfs/dbraw/zinc/98/78/47/451987847.db2.gz QCZFWSBEAGSGGU-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP Cc1c(C(=O)NCc2ccc3c(c2)C[NH2+]C3)nnn1C1CC[NH2+]CC1 ZINC000646990442 451991153 /nfs/dbraw/zinc/99/11/53/451991153.db2.gz HKIGNACDJVTCCH-UHFFFAOYSA-N 2 0 340.431 1.044 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000637669603 452010548 /nfs/dbraw/zinc/01/05/48/452010548.db2.gz PCHDBUDUUHQNMG-UHFFFAOYSA-N 2 0 348.495 1.955 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H]1C[NH2+]CCC1(F)F ZINC000649333726 452015128 /nfs/dbraw/zinc/01/51/28/452015128.db2.gz SDWXTVVZWDODLW-AWEZNQCLSA-N 2 0 345.434 1.383 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(Cc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000649356259 452039400 /nfs/dbraw/zinc/03/94/00/452039400.db2.gz HYKFDCYSZVIMRH-SOLBZPMBSA-N 2 0 330.476 1.893 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000649377082 452049982 /nfs/dbraw/zinc/04/99/82/452049982.db2.gz KRRCVUYMLCETHP-QGZVFWFLSA-N 2 0 346.475 1.383 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)[C@@H]1CCC[NH2+]C1 ZINC000647087925 452053406 /nfs/dbraw/zinc/05/34/06/452053406.db2.gz XCOIAFCFQHIENU-NWGLXNPWSA-N 2 0 337.508 1.757 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000647094134 452056281 /nfs/dbraw/zinc/05/62/81/452056281.db2.gz BXVDVCOWAGVQKH-ZDUSSCGKSA-N 2 0 345.491 1.723 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649414519 452075791 /nfs/dbraw/zinc/07/57/91/452075791.db2.gz FAEVRBNNUOGRFO-MOPGFXCFSA-N 2 0 346.519 1.449 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCC(c3nnc(N)o3)CC2)CC1 ZINC000639739229 452082785 /nfs/dbraw/zinc/08/27/85/452082785.db2.gz LPMBSBJNEDSULG-UHFFFAOYSA-N 2 0 336.484 1.247 20 0 EDADRP Cc1ncsc1CC[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420730 452083576 /nfs/dbraw/zinc/08/35/76/452083576.db2.gz DWNBEQWZBNVTKQ-CABCVRRESA-N 2 0 349.504 1.214 20 0 EDADRP O=C(NC1CC[NH2+]CC1)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637797736 452087931 /nfs/dbraw/zinc/08/79/31/452087931.db2.gz GYGKHGPKQBWZAT-ICSRJNTNSA-N 2 0 343.471 1.393 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000637803142 452090439 /nfs/dbraw/zinc/09/04/39/452090439.db2.gz AHJQOOVKRXSYQG-NVXWUHKLSA-N 2 0 329.400 1.520 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000639762811 452102216 /nfs/dbraw/zinc/10/22/16/452102216.db2.gz OPBZUDVKBUCKLS-GOSISDBHSA-N 2 0 325.497 1.462 20 0 EDADRP C[C@@H](C(=O)NC(C)(C)C1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)[NH+](C)C ZINC000643353631 452145156 /nfs/dbraw/zinc/14/51/56/452145156.db2.gz HJINUADYFNLPBR-KBPBESRZSA-N 2 0 340.512 1.020 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2[NH2+]CC2(C)C)[NH+]2CCCC2)c1 ZINC000645157215 452183261 /nfs/dbraw/zinc/18/32/61/452183261.db2.gz NQRILBYWGQTAAI-DLBZAZTESA-N 2 0 331.460 1.946 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641746755 452234327 /nfs/dbraw/zinc/23/43/27/452234327.db2.gz ATJQHWZEDUGDTK-UHFFFAOYSA-N 2 0 331.464 1.774 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@H]1CCCC[NH2+]1 ZINC000643474915 452241099 /nfs/dbraw/zinc/24/10/99/452241099.db2.gz MZFVOEXFVICVHE-HRCADAONSA-N 2 0 343.479 1.461 20 0 EDADRP COCC1(CNC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC000641766507 452242646 /nfs/dbraw/zinc/24/26/46/452242646.db2.gz MIBMFIDICPXTFU-INIZCTEOSA-N 2 0 338.496 1.130 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000647508537 452244678 /nfs/dbraw/zinc/24/46/78/452244678.db2.gz QMQIAZDBTDFXNG-APWZRJJASA-N 2 0 333.476 1.709 20 0 EDADRP CN1CCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C[NH3+])C1 ZINC000647539359 452272614 /nfs/dbraw/zinc/27/26/14/452272614.db2.gz WKLQSIAMPNHEPD-GOSISDBHSA-N 2 0 332.492 1.236 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)CC[C@H]1c1ccc(F)cc1 ZINC000655480462 452277907 /nfs/dbraw/zinc/27/79/07/452277907.db2.gz VBVJAFOEZGBKHA-IMBTUZDBSA-N 2 0 331.435 1.859 20 0 EDADRP CC[C@@H](CNC(=O)NCC12CC(C1)C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000659433880 452278397 /nfs/dbraw/zinc/27/83/97/452278397.db2.gz GZXNYZOFABOSIN-VDUSKEEQSA-N 2 0 342.487 1.875 20 0 EDADRP C[C@H]([NH3+])CN[C@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000643528002 452294418 /nfs/dbraw/zinc/29/44/18/452294418.db2.gz XEUNYXOQCOJCBC-BLLLJJGKSA-N 2 0 338.883 1.515 20 0 EDADRP [NH3+]CC1(CCNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000652119156 452314690 /nfs/dbraw/zinc/31/46/90/452314690.db2.gz PPXKJENPDQWGPU-UHFFFAOYSA-N 2 0 338.496 1.450 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000652120493 452317677 /nfs/dbraw/zinc/31/76/77/452317677.db2.gz WMSAAJMTSPVNHR-SFHVURJKSA-N 2 0 348.491 1.562 20 0 EDADRP CCCN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)[C@H]1CC[N@H+](C)C1 ZINC000645343904 452321945 /nfs/dbraw/zinc/32/19/45/452321945.db2.gz SCJSPQIELZOBJR-HOCLYGCPSA-N 2 0 328.526 1.549 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661515327 452322571 /nfs/dbraw/zinc/32/25/71/452322571.db2.gz RBMRLDBLEOTHEE-HOTGVXAUSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652136485 452331880 /nfs/dbraw/zinc/33/18/80/452331880.db2.gz QBWCQCVHYCSKMZ-NSHGMRRFSA-N 2 0 344.503 1.930 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NCCC[NH+]1CCCCC1 ZINC000638054316 452334897 /nfs/dbraw/zinc/33/48/97/452334897.db2.gz NUQYPAXIWGDSOD-FUHWJXTLSA-N 2 0 333.476 1.911 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000657572684 452342077 /nfs/dbraw/zinc/34/20/77/452342077.db2.gz BPTXFMAEYWOKGD-HNNXBMFYSA-N 2 0 330.480 1.833 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659481645 452342058 /nfs/dbraw/zinc/34/20/58/452342058.db2.gz JTMHYUMUNWUQMC-RKTXRCNFSA-N 2 0 334.439 1.588 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C1CC1 ZINC000659483635 452344913 /nfs/dbraw/zinc/34/49/13/452344913.db2.gz CGLMDYGDROQSGE-KZNAEPCWSA-N 2 0 348.466 1.978 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000663613205 452344949 /nfs/dbraw/zinc/34/49/49/452344949.db2.gz XNIYOYZNXNNNIS-GOSISDBHSA-N 2 0 332.448 1.335 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638062989 452357808 /nfs/dbraw/zinc/35/78/08/452357808.db2.gz KWOSWTSCSKVRJC-AEFFLSMTSA-N 2 0 335.448 1.010 20 0 EDADRP Cc1ccc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)n1 ZINC000657595891 452363786 /nfs/dbraw/zinc/36/37/86/452363786.db2.gz SJEVJSQWDLSLPQ-KRWDZBQOSA-N 2 0 327.428 1.952 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638064034 452364249 /nfs/dbraw/zinc/36/42/49/452364249.db2.gz YUKFITJXMKWFIL-UHFFFAOYSA-N 2 0 339.443 1.592 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cnc4n3CCC4)cc2)C1 ZINC000657597482 452366047 /nfs/dbraw/zinc/36/60/47/452366047.db2.gz PZSFCCOWFZSOEG-GOSISDBHSA-N 2 0 326.444 1.686 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CCCCCC1 ZINC000659505047 452368510 /nfs/dbraw/zinc/36/85/10/452368510.db2.gz GHQIJIPEYBVSTE-INIZCTEOSA-N 2 0 338.496 1.591 20 0 EDADRP CC[C@]1(O)CCC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000640035742 452371265 /nfs/dbraw/zinc/37/12/65/452371265.db2.gz NAWNOYKUGIFBRC-MJGOQNOKSA-N 2 0 333.476 1.642 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638066337 452371333 /nfs/dbraw/zinc/37/13/33/452371333.db2.gz GSFSODWNQRKFFO-GOSISDBHSA-N 2 0 332.492 1.246 20 0 EDADRP CC[C@@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000638069596 452373085 /nfs/dbraw/zinc/37/30/85/452373085.db2.gz RBSJDHCVKGGYCD-ICSRJNTNSA-N 2 0 345.487 1.695 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659517089 452379910 /nfs/dbraw/zinc/37/99/10/452379910.db2.gz NAVNWIXKIWQBPA-QGZVFWFLSA-N 2 0 333.480 1.576 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCO1 ZINC000659516672 452380276 /nfs/dbraw/zinc/38/02/76/452380276.db2.gz IVNARYMBIGDGNV-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659537597 452396109 /nfs/dbraw/zinc/39/61/09/452396109.db2.gz SWMDMRZYEVBFNZ-CRAIPNDOSA-N 2 0 345.491 1.591 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)NCC1C[NH2+]C1 ZINC000652210968 452404138 /nfs/dbraw/zinc/40/41/38/452404138.db2.gz OWZUGHHNMCDUOV-ARFHVFGLSA-N 2 0 330.476 1.899 20 0 EDADRP [NH3+]CC1(CCNC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000659559050 452414934 /nfs/dbraw/zinc/41/49/34/452414934.db2.gz IAIQWAKPEFQXKM-QGZVFWFLSA-N 2 0 346.475 1.181 20 0 EDADRP CN(C(=O)NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659571994 452427467 /nfs/dbraw/zinc/42/74/67/452427467.db2.gz CVZMLDIZLYPNAM-INIZCTEOSA-N 2 0 337.512 1.068 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659580812 452435541 /nfs/dbraw/zinc/43/55/41/452435541.db2.gz DVLBJRFFPNGLMN-WOSRLPQWSA-N 2 0 338.402 1.543 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659581718 452436396 /nfs/dbraw/zinc/43/63/96/452436396.db2.gz SGZJNGIYDCZPFC-PBXWNFIWSA-N 2 0 338.402 1.541 20 0 EDADRP [NH3+][C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000659581610 452437115 /nfs/dbraw/zinc/43/71/15/452437115.db2.gz PEZFQJBZKLFICA-XJKCOSOUSA-N 2 0 338.402 1.543 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N(C)CCC[NH3+])cc1 ZINC000659585701 452441009 /nfs/dbraw/zinc/44/10/09/452441009.db2.gz DDULXBXFNZSASO-IRXDYDNUSA-N 2 0 334.464 1.521 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000659608051 452464536 /nfs/dbraw/zinc/46/45/36/452464536.db2.gz JSXNIONZAGDHAN-GOSISDBHSA-N 2 0 346.475 1.410 20 0 EDADRP C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000663736230 452470854 /nfs/dbraw/zinc/47/08/54/452470854.db2.gz JUSRYLOLGLLZCM-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652313515 452488763 /nfs/dbraw/zinc/48/87/63/452488763.db2.gz YTTSHPUGROJESM-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000652320590 452495746 /nfs/dbraw/zinc/49/57/46/452495746.db2.gz GEEGPHXIUIDMEP-QGZVFWFLSA-N 2 0 338.496 1.130 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NCc2ccc(C[NH+]3CC[C@H](O)C3)cc2)C1 ZINC000663775190 452504652 /nfs/dbraw/zinc/50/46/52/452504652.db2.gz VGDPZGSTLJGRAY-MSOLQXFVSA-N 2 0 346.475 1.147 20 0 EDADRP CC(=O)c1nc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)sc1C ZINC000640203422 452508146 /nfs/dbraw/zinc/50/81/46/452508146.db2.gz YJXUIMWXBVOYLO-UHFFFAOYSA-N 2 0 341.481 1.611 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655686290 452508754 /nfs/dbraw/zinc/50/87/54/452508754.db2.gz CBNPUXVWLXBMNP-GOSISDBHSA-N 2 0 338.540 1.245 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345637 452518880 /nfs/dbraw/zinc/51/88/80/452518880.db2.gz HHEXXLFJVCZSDN-KSZLIROESA-N 2 0 337.508 1.901 20 0 EDADRP COc1cccc(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652346027 452520873 /nfs/dbraw/zinc/52/08/73/452520873.db2.gz RMHGNTGBLLGKMC-RLFYNMQTSA-N 2 0 347.459 1.852 20 0 EDADRP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347264 452522489 /nfs/dbraw/zinc/52/24/89/452522489.db2.gz XFIZOLKFJLSLHY-MWDXBVQZSA-N 2 0 325.497 1.900 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3nc(-c4ccccn4)no3)C2)C1 ZINC000652348456 452523363 /nfs/dbraw/zinc/52/33/63/452523363.db2.gz FFPYDSXPOBGLFZ-SQWLQELKSA-N 2 0 343.431 1.850 20 0 EDADRP c1ccc(OCc2n[nH]c(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)n2)cc1 ZINC000647795483 452526313 /nfs/dbraw/zinc/52/63/13/452526313.db2.gz QKIIGUSSGQEQKZ-QLFBSQMISA-N 2 0 327.432 1.861 20 0 EDADRP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CCN3CC[NH2+]CC3)CC2)n1 ZINC000652353266 452529800 /nfs/dbraw/zinc/52/98/00/452529800.db2.gz YLQZCYMQCXFCKN-GDBMZVCRSA-N 2 0 333.480 1.353 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CC1 ZINC000652361562 452542436 /nfs/dbraw/zinc/54/24/36/452542436.db2.gz KGQGEACELYOKCH-CGTJXYLNSA-N 2 0 337.508 1.994 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CC(=O)NCc2ccccc2)C1 ZINC000652360919 452542502 /nfs/dbraw/zinc/54/25/02/452542502.db2.gz TZAJGSDCAHLAFU-KZNAEPCWSA-N 2 0 331.460 1.664 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659688600 452566094 /nfs/dbraw/zinc/56/60/94/452566094.db2.gz CFNBKYOUQADIAK-OAHLLOKOSA-N 2 0 338.496 1.145 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000657881727 452588616 /nfs/dbraw/zinc/58/86/16/452588616.db2.gz YROGIARKRZVAMX-QZTJIDSGSA-N 2 0 339.524 1.576 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000655851021 452608529 /nfs/dbraw/zinc/60/85/29/452608529.db2.gz HZCXNJTWTGFTJA-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP O=C1[C@H](N2CCN(C[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000647884898 452622423 /nfs/dbraw/zinc/62/24/23/452622423.db2.gz HNZLRPPZAOTTHE-SJLPKXTDSA-N 2 0 328.460 1.019 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000645634859 452638242 /nfs/dbraw/zinc/63/82/42/452638242.db2.gz FLNVNFUGOTYTJB-DLBZAZTESA-N 2 0 331.464 1.508 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655907214 452664460 /nfs/dbraw/zinc/66/44/60/452664460.db2.gz DMXOKGVCMQDMOD-IRXDYDNUSA-N 2 0 329.448 1.866 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000655921581 452683791 /nfs/dbraw/zinc/68/37/91/452683791.db2.gz PBEJDRLRGNOBIT-WXHSDQCUSA-N 2 0 334.386 1.534 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000666214065 452690201 /nfs/dbraw/zinc/69/02/01/452690201.db2.gz QIEQCFWGMVMADP-UHFFFAOYSA-N 2 0 345.451 1.272 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCc2c(F)cccc2F)C1 ZINC000655936237 452706243 /nfs/dbraw/zinc/70/62/43/452706243.db2.gz BAVCBOGCTMIWAK-ZDUSSCGKSA-N 2 0 325.403 1.684 20 0 EDADRP C[C@H](CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+](C)C ZINC000664006468 452707369 /nfs/dbraw/zinc/70/73/69/452707369.db2.gz IZBNTIRPXBXHHO-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCN(C[C@H]2CCCO2)CC1 ZINC000658109305 452730168 /nfs/dbraw/zinc/73/01/68/452730168.db2.gz VMPDDNBYSASJCP-PKOBYXMFSA-N 2 0 340.556 1.491 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655959622 452741303 /nfs/dbraw/zinc/74/13/03/452741303.db2.gz VAVPFJKTOGWCRY-SJORKVTESA-N 2 0 344.459 1.478 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cc1 ZINC000655959575 452741489 /nfs/dbraw/zinc/74/14/89/452741489.db2.gz UUFRTINCQNIFEY-IAGOWNOFSA-N 2 0 344.459 1.478 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138424 452746394 /nfs/dbraw/zinc/74/63/94/452746394.db2.gz NEBMKPLALFZGTB-MSOLQXFVSA-N 2 0 329.448 1.413 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000655971260 452751891 /nfs/dbraw/zinc/75/18/91/452751891.db2.gz YHKUASHWRVXOJS-FIDHJVLJSA-N 2 0 338.496 1.255 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000652580833 452756139 /nfs/dbraw/zinc/75/61/39/452756139.db2.gz CRQQXVNWKPDYIT-UHFFFAOYSA-N 2 0 330.436 1.486 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[N@H+](C)CC(C)C)cc1 ZINC000652625052 452783895 /nfs/dbraw/zinc/78/38/95/452783895.db2.gz UVWRVWDROGWTPQ-UHFFFAOYSA-N 2 0 334.464 1.439 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)CC1 ZINC000648114781 452830765 /nfs/dbraw/zinc/83/07/65/452830765.db2.gz CMWWJKUBFMGREX-WWDZGPRUSA-N 2 0 346.475 1.306 20 0 EDADRP [NH3+]C1(CC(=O)N(Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000648118839 452835642 /nfs/dbraw/zinc/83/56/42/452835642.db2.gz SWAFAPBPPNOXGN-ZDUSSCGKSA-N 2 0 334.489 1.885 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000654728965 452843831 /nfs/dbraw/zinc/84/38/31/452843831.db2.gz BRHHBASIIJNAAV-CVEARBPZSA-N 2 0 338.496 1.101 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CC3([NH3+])CCC3)cc2)C1 ZINC000645845792 452845313 /nfs/dbraw/zinc/84/53/13/452845313.db2.gz DPMKYKWTKOFZGO-HNNXBMFYSA-N 2 0 344.459 1.594 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC[N@@H+]2C2CC2)c1 ZINC000648161577 452872011 /nfs/dbraw/zinc/87/20/11/452872011.db2.gz NBAMYTHYGXMXMP-LFDJNIOPSA-N 2 0 341.455 1.555 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000645884269 452877709 /nfs/dbraw/zinc/87/77/09/452877709.db2.gz ZRZUZHLRJKNCQG-QGZVFWFLSA-N 2 0 349.479 1.038 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@H]1CC[NH+]1Cc1ccccc1 ZINC000662142858 452878533 /nfs/dbraw/zinc/87/85/33/452878533.db2.gz OWKYEZMFTOHJMN-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP O[C@@H]1CC[N@@H+](C2CCN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC2)C1 ZINC000662150968 452885613 /nfs/dbraw/zinc/88/56/13/452885613.db2.gz CVBQLNNIUJUGQR-WOJBJXKFSA-N 2 0 329.488 1.792 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)c1 ZINC000658424234 452949263 /nfs/dbraw/zinc/94/92/63/452949263.db2.gz ZUUHAPBIMWLQFA-OAHLLOKOSA-N 2 0 348.491 1.923 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000656201749 452956136 /nfs/dbraw/zinc/95/61/36/452956136.db2.gz YHYCEFGZVWSDPC-GVLSGGHMSA-N 2 0 325.497 1.231 20 0 EDADRP O=C(Nc1ccccc1)C1CC[NH+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248631 452973638 /nfs/dbraw/zinc/97/36/38/452973638.db2.gz IFLJIMZBWOXUAG-QGZVFWFLSA-N 2 0 329.444 1.858 20 0 EDADRP CC(C)OCCOC[C@H](O)C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662254943 452984028 /nfs/dbraw/zinc/98/40/28/452984028.db2.gz VFFVNLKYRDTNEL-GOSISDBHSA-N 2 0 336.476 1.567 20 0 EDADRP CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000662287414 453011874 /nfs/dbraw/zinc/01/18/74/453011874.db2.gz ZOEBEHORWUEGMD-CJNGLKHVSA-N 2 0 325.478 1.544 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666633516 453026195 /nfs/dbraw/zinc/02/61/95/453026195.db2.gz HCTLJBHYQYELAC-HNNXBMFYSA-N 2 0 346.475 1.855 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000654923366 453039191 /nfs/dbraw/zinc/03/91/91/453039191.db2.gz MRVREXDDBQIUDF-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCO[C@H](CCc3ccccc3)C2)C1 ZINC000666654976 453041213 /nfs/dbraw/zinc/04/12/13/453041213.db2.gz WCXMNRKKSQPHJK-RTBURBONSA-N 2 0 345.487 1.517 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)C1 ZINC000660120166 453046426 /nfs/dbraw/zinc/04/64/26/453046426.db2.gz DRJJLXCONKSUIE-JFIYKMOQSA-N 2 0 336.524 1.378 20 0 EDADRP CC[C@@H]1C[C@@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CCO1 ZINC000648488490 453108455 /nfs/dbraw/zinc/10/84/55/453108455.db2.gz XPRHGQNUEIDTRM-OTWHNJEPSA-N 2 0 347.503 1.823 20 0 EDADRP CC[NH2+]CCNC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662408844 453120385 /nfs/dbraw/zinc/12/03/85/453120385.db2.gz BIGHEWONTBHOBX-IBGZPJMESA-N 2 0 341.455 1.861 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000666754810 453120878 /nfs/dbraw/zinc/12/08/78/453120878.db2.gz UTCMKXGAKOLWOI-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP [NH3+]C[C@H](NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)C1CCCCC1 ZINC000662417855 453127295 /nfs/dbraw/zinc/12/72/95/453127295.db2.gz NDIPDXOSQWMJOG-GJZGRUSLSA-N 2 0 334.468 1.230 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000662420643 453129592 /nfs/dbraw/zinc/12/95/92/453129592.db2.gz FCLBYIQGDGTBRX-IUODEOHRSA-N 2 0 328.420 1.865 20 0 EDADRP CN1CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)[C@@H](C[NH3+])C1 ZINC000666778821 453141882 /nfs/dbraw/zinc/14/18/82/453141882.db2.gz FXAPYOJEEOWKPU-DOTOQJQBSA-N 2 0 348.447 1.351 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000662467938 453178296 /nfs/dbraw/zinc/17/82/96/453178296.db2.gz HUFRPQZEKVWHAJ-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000662482109 453195989 /nfs/dbraw/zinc/19/59/89/453195989.db2.gz HLADLAQTUJIEHF-AEFFLSMTSA-N 2 0 333.476 1.862 20 0 EDADRP CC(C)[NH+]1CCN(C2CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])CC2)CC1 ZINC000646214272 453226534 /nfs/dbraw/zinc/22/65/34/453226534.db2.gz QWXNFUWGZASYDU-HOTGVXAUSA-N 2 0 339.528 1.312 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Cn1ccc2ccc(F)cc21 ZINC000648770493 453247109 /nfs/dbraw/zinc/24/71/09/453247109.db2.gz KHAUOACNSBYWAV-UHFFFAOYSA-N 2 0 334.439 1.732 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000653105939 453287849 /nfs/dbraw/zinc/28/78/49/453287849.db2.gz NUAHXPUQEAFGLC-ROUUACIJSA-N 2 0 348.491 1.227 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H](N)CC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000653105940 453288243 /nfs/dbraw/zinc/28/82/43/453288243.db2.gz NUAHXPUQEAFGLC-ZWKOTPCHSA-N 2 0 348.491 1.227 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653108641 453291623 /nfs/dbraw/zinc/29/16/23/453291623.db2.gz CJLKBDLKIGYNAE-LPHOPBHVSA-N 2 0 346.519 1.956 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000667050255 453366217 /nfs/dbraw/zinc/36/62/17/453366217.db2.gz YRAAPTSGICZIGH-AWEZNQCLSA-N 2 0 346.475 1.581 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653182297 453371861 /nfs/dbraw/zinc/37/18/61/453371861.db2.gz PZIJGPQZTMKBJZ-ZQIUZPCESA-N 2 0 332.448 1.506 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662668211 453382633 /nfs/dbraw/zinc/38/26/33/453382633.db2.gz IWXYOMOOIBLCLH-CVEARBPZSA-N 2 0 348.495 1.587 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000658784831 453391743 /nfs/dbraw/zinc/39/17/43/453391743.db2.gz SXRMQJUMIKYZPL-QGZVFWFLSA-N 2 0 346.475 1.596 20 0 EDADRP CC(C)(CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662679872 453400170 /nfs/dbraw/zinc/40/01/70/453400170.db2.gz QQYKJRZKMQVQMY-IRXDYDNUSA-N 2 0 331.460 1.303 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000662694461 453414755 /nfs/dbraw/zinc/41/47/55/453414755.db2.gz QQJBZVMNMPWXSO-WFXMFSGNSA-N 2 0 337.508 1.756 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662708402 453432775 /nfs/dbraw/zinc/43/27/75/453432775.db2.gz MVYBAAJSKNUOQJ-HNNXBMFYSA-N 2 0 348.447 1.125 20 0 EDADRP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000667148754 453440339 /nfs/dbraw/zinc/44/03/39/453440339.db2.gz VYOCCLYXCWPWKY-QGZVFWFLSA-N 2 0 326.404 1.875 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@@H](C)[NH3+] ZINC000667155196 453443935 /nfs/dbraw/zinc/44/39/35/453443935.db2.gz OSLWVQGDITYUOY-CYBMUJFWSA-N 2 0 335.452 1.306 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)NCC[N@H+]3CC=CCC3)ccc21 ZINC000646557803 453470439 /nfs/dbraw/zinc/47/04/39/453470439.db2.gz UYNIBOMWTLYOMF-UHFFFAOYSA-N 2 0 326.444 1.982 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662753994 453490094 /nfs/dbraw/zinc/49/00/94/453490094.db2.gz AIBBMGFVMBGACS-XHSDSOJGSA-N 2 0 346.479 1.292 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664935451 453498826 /nfs/dbraw/zinc/49/88/26/453498826.db2.gz ZGXBLNHZTVVOFC-IAGOWNOFSA-N 2 0 342.528 1.859 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000667239342 453502232 /nfs/dbraw/zinc/50/22/32/453502232.db2.gz MGJOEAMNZAHNCW-RCCFBDPRSA-N 2 0 348.466 1.599 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1([NH+]2CCOCC2)CCCC1 ZINC000655449454 453536723 /nfs/dbraw/zinc/53/67/23/453536723.db2.gz XJTYRFBYGBJTCO-XYJFISCASA-N 2 0 335.492 1.526 20 0 EDADRP COc1ccccc1[C@@H](N)C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662832542 453558600 /nfs/dbraw/zinc/55/86/00/453558600.db2.gz ILWXNGRYJLEINI-MAUKXSAKSA-N 2 0 347.459 1.408 20 0 EDADRP C[C@H](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000662832584 453558615 /nfs/dbraw/zinc/55/86/15/453558615.db2.gz IVMBBTHNIQEIDH-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]([NH3+])CC(F)F)cc1F ZINC000662871060 453582234 /nfs/dbraw/zinc/58/22/34/453582234.db2.gz RWWFWCJABZYQJD-DRZSPHRISA-N 2 0 345.365 1.379 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N(CC[NH+](C)C)CC(=O)N(C)C)c1 ZINC000659018392 453582849 /nfs/dbraw/zinc/58/28/49/453582849.db2.gz FWVLLGLIVUZROD-UHFFFAOYSA-N 2 0 349.479 1.280 20 0 EDADRP COC1(C(=O)N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)CC[NH2+]CC1 ZINC000662871999 453582931 /nfs/dbraw/zinc/58/29/31/453582931.db2.gz HJARHTWXNHICLS-GOSISDBHSA-N 2 0 345.487 1.530 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659035053 453591106 /nfs/dbraw/zinc/59/11/06/453591106.db2.gz TXFMEADDQMPGLH-QGZVFWFLSA-N 2 0 332.448 1.907 20 0 EDADRP C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC[NH+](C)CC1 ZINC000660853216 453609697 /nfs/dbraw/zinc/60/96/97/453609697.db2.gz SBIYBTZEZNPAHL-WMLDXEAASA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000665233387 453618008 /nfs/dbraw/zinc/61/80/08/453618008.db2.gz GOCFPXOQLIZWCU-RDJZCZTQSA-N 2 0 325.497 1.234 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H](C1CC1)[C@@H]1CCCCO1 ZINC000665248128 453623409 /nfs/dbraw/zinc/62/34/09/453623409.db2.gz PQNALRGOHAHRAJ-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662971324 453630002 /nfs/dbraw/zinc/63/00/02/453630002.db2.gz FQLRFVUGBJLRHK-ALOPSCKCSA-N 2 0 333.476 1.039 20 0 EDADRP C[C@H](CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@@H]1CCC[NH2+]C1 ZINC000662973893 453631804 /nfs/dbraw/zinc/63/18/04/453631804.db2.gz XZAWVQKTQMKAEF-ZACQAIPSSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000660886710 453632134 /nfs/dbraw/zinc/63/21/34/453632134.db2.gz HAUWYCGVDYBWJK-KSSFIOAISA-N 2 0 334.508 1.890 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283985 453635935 /nfs/dbraw/zinc/63/59/35/453635935.db2.gz YKACDDZKLKIIRC-RTBURBONSA-N 2 0 334.508 1.146 20 0 EDADRP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3nc(C[NH3+])cc(=O)[nH]3)CC2)C1 ZINC000665291155 453637701 /nfs/dbraw/zinc/63/77/01/453637701.db2.gz VPKKEIZHCNGMRL-BBRMVZONSA-N 2 0 333.480 1.774 20 0 EDADRP C[C@H]1C[C@H](NCc2nc(C[NH3+])cc(=O)[nH]2)CC[N@@H+]1Cc1ccccc1 ZINC000665291404 453638215 /nfs/dbraw/zinc/63/82/15/453638215.db2.gz BFCABIXRXWIGPF-GOEBONIOSA-N 2 0 341.459 1.784 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnnn1C1CC[NH2+]CC1 ZINC000663002732 453643534 /nfs/dbraw/zinc/64/35/34/453643534.db2.gz IDSPLJDKPCURQE-OAHLLOKOSA-N 2 0 346.479 1.054 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)C1(C)C ZINC000663003277 453643830 /nfs/dbraw/zinc/64/38/30/453643830.db2.gz LGCBJXYZTHKSPP-FRQCXROJSA-N 2 0 337.508 1.757 20 0 EDADRP COC[C@@]1(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCC[NH2+]1 ZINC000659308986 453709704 /nfs/dbraw/zinc/70/97/04/453709704.db2.gz WBCZSHMXEVCEJJ-LPHOPBHVSA-N 2 0 331.460 1.564 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659349365 453724243 /nfs/dbraw/zinc/72/42/43/453724243.db2.gz FMDZTBWEWQLKTC-ABYLEIOUSA-N 2 0 337.414 1.915 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000659352876 453725207 /nfs/dbraw/zinc/72/52/07/453725207.db2.gz QFSYHGQWYAXKGJ-NJAFHUGGSA-N 2 0 331.460 1.647 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)COC2(C)C[NH2+]C2)cc1 ZINC000659353732 453725998 /nfs/dbraw/zinc/72/59/98/453725998.db2.gz SOMWRULXLUHVGJ-IRXDYDNUSA-N 2 0 347.459 1.026 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CCC(C)(C)[NH3+])cc1F ZINC000659355108 453726162 /nfs/dbraw/zinc/72/61/62/453726162.db2.gz DENACWMVMYBVKA-ZFWWWQNUSA-N 2 0 337.439 1.914 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2CC[NH2+][C@H]2C)cc1F ZINC000659356246 453726921 /nfs/dbraw/zinc/72/69/21/453726921.db2.gz XTRBHLNDBWYPHM-PCBIJLKTSA-N 2 0 335.423 1.394 20 0 EDADRP COC[C@@H]([NH2+]C[C@@H](O)CN(C)Cc1ccccc1)C1CCOCC1 ZINC000661157646 453740167 /nfs/dbraw/zinc/74/01/67/453740167.db2.gz JBFGNUMNUFPCQG-RTBURBONSA-N 2 0 336.476 1.511 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCCC[NH+]2CCO)C1 ZINC000665552699 453744805 /nfs/dbraw/zinc/74/48/05/453744805.db2.gz GUIWFTBZCZVIRP-LSDHHAIUSA-N 2 0 326.485 1.005 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCN([C@@H]2CCOC2)CC1 ZINC000661209392 453760214 /nfs/dbraw/zinc/76/02/14/453760214.db2.gz HKRVHANWEUHXIV-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]Cc3ccnn3CC3CC3)ccn2)CC1 ZINC000657313518 453764161 /nfs/dbraw/zinc/76/41/61/453764161.db2.gz IVVQBMXNBQEETQ-UHFFFAOYSA-N 2 0 340.475 1.730 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C[C@@H]1O ZINC000663400920 453789418 /nfs/dbraw/zinc/78/94/18/453789418.db2.gz WWACIBZZFXPZLG-SQNIBIBYSA-N 2 0 346.475 1.140 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cnc3ccc(C)cn23)CC1 ZINC000663502802 453811265 /nfs/dbraw/zinc/81/12/65/453811265.db2.gz BLUOULNSXVEHEK-UHFFFAOYSA-N 2 0 343.475 1.723 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000415647404 486763185 /nfs/dbraw/zinc/76/31/85/486763185.db2.gz NWGSXVOWNKSUJR-GDBMZVCRSA-N 2 0 332.448 1.115 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000672707656 486771020 /nfs/dbraw/zinc/77/10/20/486771020.db2.gz HYPBPVMRIPLTFR-UHFFFAOYSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCc1cccc(CN2CCO[C@@H](C)C2)c1 ZINC000417264927 486796263 /nfs/dbraw/zinc/79/62/63/486796263.db2.gz ATKDVFRUWXJXJH-HNNXBMFYSA-N 2 0 334.464 1.268 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000680518526 486799703 /nfs/dbraw/zinc/79/97/03/486799703.db2.gz OCGFCLSPNOAJGX-MRXNPFEDSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH2+]CCN(C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589262 486801356 /nfs/dbraw/zinc/80/13/56/486801356.db2.gz VRPFTALIIMQVTE-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC1 ZINC000683814390 486825331 /nfs/dbraw/zinc/82/53/31/486825331.db2.gz KRBPRJGLXCELDP-UHFFFAOYSA-N 2 0 334.468 1.708 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CCC[NH+](C)C1 ZINC000680914554 486891902 /nfs/dbraw/zinc/89/19/02/486891902.db2.gz QNZDRPIRJGPIHY-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(N2CCC2=O)c1 ZINC000684130659 486955154 /nfs/dbraw/zinc/95/51/54/486955154.db2.gz UMKSSECNHKJHCQ-UHFFFAOYSA-N 2 0 347.463 1.380 20 0 EDADRP CN(CCCC[NH+](C)C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673841374 487130844 /nfs/dbraw/zinc/13/08/44/487130844.db2.gz UVOVBJQPCCEGMR-LJQANCHMSA-N 2 0 333.476 1.424 20 0 EDADRP O=S1(=O)CC[C@H](CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000677690101 487152381 /nfs/dbraw/zinc/15/23/81/487152381.db2.gz NRKGUZXSUWOKSX-INIZCTEOSA-N 2 0 344.521 1.388 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000677798884 487170529 /nfs/dbraw/zinc/17/05/29/487170529.db2.gz DQDBKRWVRICLKN-JFRXWTBNSA-N 2 0 345.487 1.611 20 0 EDADRP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N2CCOC[C@H]2C2CC2)CC1 ZINC000677984287 487220090 /nfs/dbraw/zinc/22/00/90/487220090.db2.gz RQDPTTNXCCORKE-SFHVURJKSA-N 2 0 337.508 1.676 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC1 ZINC000674329768 487238616 /nfs/dbraw/zinc/23/86/16/487238616.db2.gz NOMXMVPISPUGSB-MRXNPFEDSA-N 2 0 342.528 1.763 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)nnc1C ZINC000678077055 487241572 /nfs/dbraw/zinc/24/15/72/487241572.db2.gz XETUXXLGHYEUNR-MRXNPFEDSA-N 2 0 333.480 1.582 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccc(CO)cc3)cn2)CC1 ZINC000679316889 487413676 /nfs/dbraw/zinc/41/36/76/487413676.db2.gz CIMYVWOCWVFSKQ-UHFFFAOYSA-N 2 0 326.444 1.616 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675536357 487419753 /nfs/dbraw/zinc/41/97/53/487419753.db2.gz GKXSPMYOPRJMOF-HNNXBMFYSA-N 2 0 340.512 1.251 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CCN(c2ccccn2)CC1)C1CC[NH+](C)CC1 ZINC000675890423 487457359 /nfs/dbraw/zinc/45/73/59/487457359.db2.gz MGORZXRLJSLSCH-ZWKOTPCHSA-N 2 0 345.535 1.912 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000669513903 485478079 /nfs/dbraw/zinc/47/80/79/485478079.db2.gz PMDIZJQHXWKLEQ-MRXNPFEDSA-N 2 0 326.485 1.317 20 0 EDADRP [NH3+][C@@H](C(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1cccc(Cl)c1 ZINC000669520486 485486636 /nfs/dbraw/zinc/48/66/36/485486636.db2.gz WVTBJYYTQIVGJV-OAGGEKHMSA-N 2 0 337.851 1.695 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)C1 ZINC000669539461 485522357 /nfs/dbraw/zinc/52/23/57/485522357.db2.gz ASJRTKUADZZHBI-OAGGEKHMSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCO1 ZINC000669545915 485533862 /nfs/dbraw/zinc/53/38/62/485533862.db2.gz YIKPMJQTKYCSHB-ORQFMDKSSA-N 2 0 332.448 1.189 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000669573784 485605584 /nfs/dbraw/zinc/60/55/84/485605584.db2.gz WIPRRNNQBKVBET-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669573795 485606032 /nfs/dbraw/zinc/60/60/32/485606032.db2.gz YIOOVHDDAXQMTN-SZMVWBNQSA-N 2 0 346.475 1.266 20 0 EDADRP O=C(NCC1C[NH2+]C1)NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000669589153 485644629 /nfs/dbraw/zinc/64/46/29/485644629.db2.gz FGEQKENZWAQYDR-KRWDZBQOSA-N 2 0 330.476 1.807 20 0 EDADRP C[C@@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[C@H]1CN(C)CCO1 ZINC000672961681 485838375 /nfs/dbraw/zinc/83/83/75/485838375.db2.gz KLZNVYYCEUNPFL-CRAIPNDOSA-N 2 0 346.475 1.231 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000669297632 485938885 /nfs/dbraw/zinc/93/88/85/485938885.db2.gz NEWWKIMFKFUMTP-CWRNSKLLSA-N 2 0 326.485 1.255 20 0 EDADRP CCc1c[nH]c(=O)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000668665940 486015664 /nfs/dbraw/zinc/01/56/64/486015664.db2.gz AOIRWYIUWAIESH-UHFFFAOYSA-N 2 0 336.480 1.695 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCC[NH2+]CC1 ZINC000669420564 486140668 /nfs/dbraw/zinc/14/06/68/486140668.db2.gz QFPXXTGGAMBRGJ-GOSISDBHSA-N 2 0 330.476 1.904 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000669508948 486292051 /nfs/dbraw/zinc/29/20/51/486292051.db2.gz XULGOFZMROJVSW-QMISJYABSA-N 2 0 331.460 1.965 20 0 EDADRP CN1CCC(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])([NH+]2CCCCC2)CC1 ZINC000261930443 486648286 /nfs/dbraw/zinc/64/82/86/486648286.db2.gz ZWXWPRZUHGIYCD-DLBZAZTESA-N 2 0 336.524 1.570 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000080117565 491171425 /nfs/dbraw/zinc/17/14/25/491171425.db2.gz LYZWLBSNCINZEA-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N(C2CC2)[C@H]2CC[NH2+]C2)ccn1 ZINC000417942406 517904149 /nfs/dbraw/zinc/90/41/49/517904149.db2.gz BRSVZABHUYERIU-INIZCTEOSA-N 2 0 347.463 1.058 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000249040467 535002038 /nfs/dbraw/zinc/00/20/38/535002038.db2.gz GOSZMFWYXQDSCM-XJKSGUPXSA-N 2 0 325.403 1.867 20 0 EDADRP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CC[NH+](C)CC1 ZINC000298286804 535191471 /nfs/dbraw/zinc/19/14/71/535191471.db2.gz HBCYUEDFQLHKOH-HXUWFJFHSA-N 3 0 345.535 1.912 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000071952709 535318075 /nfs/dbraw/zinc/31/80/75/535318075.db2.gz VVLUNTRGENMWGY-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP CC[NH2+]CC1CC[NH+](Cc2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000261666366 535459658 /nfs/dbraw/zinc/45/96/58/535459658.db2.gz GSVPHCFFQQICCB-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H](C)C[NH2+]C)cc1 ZINC000236866813 535539535 /nfs/dbraw/zinc/53/95/35/535539535.db2.gz JEEUBVOCLWSJQU-CQSZACIVSA-N 2 0 334.464 1.552 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340042996 535563662 /nfs/dbraw/zinc/56/36/62/535563662.db2.gz KKZWBORFTUZLOS-IYBDPMFKSA-N 2 0 333.542 1.616 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000347116704 535715828 /nfs/dbraw/zinc/71/58/28/535715828.db2.gz WYQXTYLGNRCBSP-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)CC1 ZINC000343254829 535718990 /nfs/dbraw/zinc/71/89/90/535718990.db2.gz USWWILKQEVANQK-NCXUSEDFSA-N 2 0 338.540 1.007 20 0 EDADRP CN(C1C[C@H]2CC[C@@H](C1)[NH2+]2)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261987432 536018272 /nfs/dbraw/zinc/01/82/72/536018272.db2.gz DMAOYDIMUAONTN-XYPWUTKMSA-N 2 0 337.489 1.652 20 0 EDADRP COc1ccc(Cl)cc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261968333 536557192 /nfs/dbraw/zinc/55/71/92/536557192.db2.gz PRTICVRNRDLJGW-LBPRGKRZSA-N 2 0 325.840 1.636 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCCOCC2)CC1 ZINC000340290317 536777422 /nfs/dbraw/zinc/77/74/22/536777422.db2.gz SDYMZBDQTZSLRZ-UHFFFAOYSA-N 2 0 341.540 1.779 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000345966762 536779120 /nfs/dbraw/zinc/77/91/20/536779120.db2.gz BWEDFSHXOXDSAN-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H](C)[NH+]1CCC[C@H](C)C1 ZINC000248868284 536786237 /nfs/dbraw/zinc/78/62/37/536786237.db2.gz IDNSXNQBYSJEGD-JKSUJKDBSA-N 2 0 328.501 1.374 20 0 EDADRP CC(C)[C@@H](C[NH+](C)C)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000743587848 579484692 /nfs/dbraw/zinc/48/46/92/579484692.db2.gz SUCQBYSZHWSJCA-LJQANCHMSA-N 2 0 346.519 1.750 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=S)NCC1CC[NH+](C)CC1 ZINC000760478430 580031727 /nfs/dbraw/zinc/03/17/27/580031727.db2.gz KBZSGXJVWUIVJC-LSDHHAIUSA-N 2 0 326.554 1.913 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734265124 578805383 /nfs/dbraw/zinc/80/53/83/578805383.db2.gz MSFZTAQJLLKFLL-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3CCC4(CCOCC4)C3=O)C2)CC1 ZINC000777542149 580444094 /nfs/dbraw/zinc/44/40/94/580444094.db2.gz RFGBSUROQRZQGK-QGZVFWFLSA-N 2 0 335.492 1.637 20 0 EDADRP CCN(C[C@H]1CC[N@H+](C[C@@H](O)C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000749118092 579713645 /nfs/dbraw/zinc/71/36/45/579713645.db2.gz XJCPOHFAYOZCAW-CABCVRRESA-N 2 0 337.430 1.649 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=S)NC[C@@H]1CCCO1 ZINC000751011845 579791202 /nfs/dbraw/zinc/79/12/02/579791202.db2.gz PLVCHSFVRWUEED-CVEARBPZSA-N 2 0 342.553 1.388 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000764073550 580112720 /nfs/dbraw/zinc/11/27/20/580112720.db2.gz KTZNGPYJZXUPBH-GOSISDBHSA-N 2 0 330.476 1.097 20 0 EDADRP C[C@@H](O)C[C@H](C)C[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000893043384 590632568 /nfs/dbraw/zinc/63/25/68/590632568.db2.gz XAWHTTREBXWSME-LSDHHAIUSA-N 2 0 343.512 1.972 20 0 EDADRP CN(C(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000891816124 590634027 /nfs/dbraw/zinc/63/40/27/590634027.db2.gz NVGXYRJLYUQNPS-QGZVFWFLSA-N 2 0 348.491 1.863 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000891881491 590668039 /nfs/dbraw/zinc/66/80/39/590668039.db2.gz XNDFMJFNNGLCHY-UHFFFAOYSA-N 2 0 327.517 1.173 20 0 EDADRP C[C@H](CNC(=O)N1CCN(C)CC[N@H+](C)CC1)[NH+]1CCCC[C@@H]1C ZINC000891890738 590674797 /nfs/dbraw/zinc/67/47/97/590674797.db2.gz XRXGQYZKEZDSSN-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH2+]C1CC1 ZINC000891989742 590730425 /nfs/dbraw/zinc/73/04/25/590730425.db2.gz ZMXSYTSTCXSZQH-DOTOQJQBSA-N 2 0 330.476 1.806 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)N[C@@H]3CCC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000892019328 590749857 /nfs/dbraw/zinc/74/98/57/590749857.db2.gz KZLDGVNVOHMMBR-CEXWTWQISA-N 2 0 342.487 1.854 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)[NH+]1CCc2ccccc2C1 ZINC000892019893 590750790 /nfs/dbraw/zinc/75/07/90/590750790.db2.gz PVCUPVNKHRQKSN-AYOQOUSVSA-N 2 0 342.487 1.779 20 0 EDADRP COCC[NH2+]CCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892055940 590775844 /nfs/dbraw/zinc/77/58/44/590775844.db2.gz NOMFBRFZCROKQN-RDJZCZTQSA-N 2 0 340.512 1.552 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)N[C@H](C)CC[NH3+])C2)c1 ZINC000892056481 590776484 /nfs/dbraw/zinc/77/64/84/590776484.db2.gz SMBIWMBMOAPPFJ-WBVHZDCISA-N 2 0 334.464 1.232 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000892082212 590789321 /nfs/dbraw/zinc/78/93/21/590789321.db2.gz XELKIJASOFFCSR-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C(F)(F)F ZINC000892086017 590790233 /nfs/dbraw/zinc/79/02/33/590790233.db2.gz FYQGXFFHIFBOSZ-KGLIPLIRSA-N 2 0 342.365 1.568 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)[NH2+]C1 ZINC000892118257 590809289 /nfs/dbraw/zinc/80/92/89/590809289.db2.gz DDYHKMVZSXXNDH-WBVHZDCISA-N 2 0 330.476 1.951 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[C@H]4C[N@@H+](C)C[C@H]43)nc12 ZINC000893382135 590820051 /nfs/dbraw/zinc/82/00/51/590820051.db2.gz NBVKSYQAWTTYLU-GOEBONIOSA-N 2 0 327.432 1.531 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000892151025 590823487 /nfs/dbraw/zinc/82/34/87/590823487.db2.gz TZDBUFDOPQOQPB-IWCQGFGOSA-N 2 0 332.423 1.275 20 0 EDADRP C[C@@H]1CN(Cc2cccc3[nH]c(=O)oc32)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892154314 590825440 /nfs/dbraw/zinc/82/54/40/590825440.db2.gz WYISAMZWXWURHP-RHSMWYFYSA-N 2 0 344.459 1.991 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC[C@@H]1CC(C)(C)CO1 ZINC000890931797 590853709 /nfs/dbraw/zinc/85/37/09/590853709.db2.gz PAQIBTBRYYUWJX-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000892214676 590867925 /nfs/dbraw/zinc/86/79/25/590867925.db2.gz VVLISXCHWLHNDD-STQMWFEESA-N 2 0 338.418 1.743 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000892214673 590868187 /nfs/dbraw/zinc/86/81/87/590868187.db2.gz VVLISXCHWLHNDD-CHWSQXEVSA-N 2 0 338.418 1.743 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC1 ZINC000892245810 590884877 /nfs/dbraw/zinc/88/48/77/590884877.db2.gz ZDXCJWHCPNQZQG-UHFFFAOYSA-N 2 0 348.466 1.724 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)C2 ZINC000892250547 590886412 /nfs/dbraw/zinc/88/64/12/590886412.db2.gz KYZKOYWRBSJYDC-DODZYUBVSA-N 2 0 328.460 1.383 20 0 EDADRP Cc1[nH+]ccc(NC[C@@H](C)N2CC[NH+](C)CC2)c1Br ZINC000892282628 590912016 /nfs/dbraw/zinc/91/20/16/590912016.db2.gz WDWOBKKPJDFDTB-LLVKDONJSA-N 2 0 327.270 1.622 20 0 EDADRP Cc1cc(N)nc(NCc2cccc(C(=O)NCC[NH+](C)C)c2)[nH+]1 ZINC000892293032 590919978 /nfs/dbraw/zinc/91/99/78/590919978.db2.gz LSIPQUANPHZZLU-UHFFFAOYSA-N 2 0 328.420 1.271 20 0 EDADRP C[N@@H+]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CCC1(C)C ZINC000892323168 590945270 /nfs/dbraw/zinc/94/52/70/590945270.db2.gz CSWYDAIOPYKBKJ-UHFFFAOYSA-N 2 0 330.476 1.958 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)C[C@@H]21 ZINC000892329652 590953309 /nfs/dbraw/zinc/95/33/09/590953309.db2.gz LXVMYFLXVWIGQQ-BPQIPLTHSA-N 2 0 328.460 1.601 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000892343936 590971876 /nfs/dbraw/zinc/97/18/76/590971876.db2.gz XJACEELBZKELBE-WMLDXEAASA-N 2 0 330.476 1.956 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892388512 591005941 /nfs/dbraw/zinc/00/59/41/591005941.db2.gz XDGHQGQAIUTTSY-LSDHHAIUSA-N 2 0 340.512 1.251 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000892389380 591006480 /nfs/dbraw/zinc/00/64/80/591006480.db2.gz MZXNPAZZDCBOGU-AWEZNQCLSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000893616392 591011449 /nfs/dbraw/zinc/01/14/49/591011449.db2.gz XWYBSOKHBAOWPN-UHFFFAOYSA-N 2 0 337.489 1.658 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC[N@@H+]1CCOC ZINC000892444777 591029851 /nfs/dbraw/zinc/02/98/51/591029851.db2.gz IEDFSXJJBXEWFS-ULQDDVLXSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000892480012 591042181 /nfs/dbraw/zinc/04/21/81/591042181.db2.gz XEQDETRICZWSCZ-CALCHBBNSA-N 2 0 346.475 1.330 20 0 EDADRP CC[C@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000891346567 591052628 /nfs/dbraw/zinc/05/26/28/591052628.db2.gz CRAQBOVGNJBTBQ-ZTFGCOKTSA-N 2 0 330.476 1.860 20 0 EDADRP COC(=O)c1sccc1C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000892535263 591063589 /nfs/dbraw/zinc/06/35/89/591063589.db2.gz IGOFBLUJZANSIQ-OAHLLOKOSA-N 2 0 339.505 1.896 20 0 EDADRP O=C(NC/C=C\Cl)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000892545739 591067327 /nfs/dbraw/zinc/06/73/27/591067327.db2.gz XIYBAJCEMCEVEB-KTAJNNJTSA-N 2 0 337.855 1.645 20 0 EDADRP O=C(NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448569 591075545 /nfs/dbraw/zinc/07/55/45/591075545.db2.gz RBGPXBCXXXYICU-KSZLIROESA-N 2 0 328.460 1.797 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000892586901 591083095 /nfs/dbraw/zinc/08/30/95/591083095.db2.gz GRSBZNXCSSARRM-ORQFMDKSSA-N 2 0 334.508 1.937 20 0 EDADRP CCN(C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000891506760 591100354 /nfs/dbraw/zinc/10/03/54/591100354.db2.gz BRRLHRWKWAKGFS-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@@H](c3ccco3)[NH+]3CCCC3)[C@@H]2C1 ZINC000891520036 591104559 /nfs/dbraw/zinc/10/45/59/591104559.db2.gz CKFYKKNPOVICOH-HRCADAONSA-N 2 0 332.448 1.762 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N3C[C@@H]([NH3+])C[C@@H]3C)CCCC2)CC1 ZINC000891527570 591108537 /nfs/dbraw/zinc/10/85/37/591108537.db2.gz BHULQBRGSXZVGH-GJZGRUSLSA-N 2 0 338.496 1.541 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000891541395 591114570 /nfs/dbraw/zinc/11/45/70/591114570.db2.gz JUJYEMYJOUOUMF-CALCHBBNSA-N 2 0 346.475 1.698 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000891542603 591115131 /nfs/dbraw/zinc/11/51/31/591115131.db2.gz WTZDXSZGYBAZDO-DOTOQJQBSA-N 2 0 346.475 1.792 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891540180 591116747 /nfs/dbraw/zinc/11/67/47/591116747.db2.gz MEEGQRCWGFNOBZ-JHJVBQTASA-N 2 0 336.402 1.639 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)ccc1F ZINC000891565138 591128236 /nfs/dbraw/zinc/12/82/36/591128236.db2.gz LVQNMYLFXSHORT-IAGOWNOFSA-N 2 0 334.439 1.923 20 0 EDADRP [NH3+]CC1(NC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCCCC1 ZINC000891577816 591133161 /nfs/dbraw/zinc/13/31/61/591133161.db2.gz ZFTRNLKHQXSBFK-HNNXBMFYSA-N 2 0 338.496 1.448 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+]2CCC[C@H]2C)C1 ZINC000891597297 591142194 /nfs/dbraw/zinc/14/21/94/591142194.db2.gz GVLFNPQWHPHKQU-CVEARBPZSA-N 2 0 326.485 1.127 20 0 EDADRP CCN(CC(=O)NC)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893940141 591144117 /nfs/dbraw/zinc/14/41/17/591144117.db2.gz JGBWABAKPYBCQH-UHFFFAOYSA-N 2 0 343.374 1.638 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891634622 591160099 /nfs/dbraw/zinc/16/00/99/591160099.db2.gz PGEHYTNUUHBKOR-IAGOWNOFSA-N 2 0 338.496 1.412 20 0 EDADRP CC[C@H](CO)Nc1cc(N2CCN(CCOC(C)C)CC2)ncn1 ZINC000892764972 591166243 /nfs/dbraw/zinc/16/62/43/591166243.db2.gz QJVUZWYFDTVSFY-OAHLLOKOSA-N 2 0 337.468 1.206 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000891648760 591167066 /nfs/dbraw/zinc/16/70/66/591167066.db2.gz ZGJLMDYSDNCNBB-UHFFFAOYSA-N 2 0 348.491 1.570 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892768900 591168127 /nfs/dbraw/zinc/16/81/27/591168127.db2.gz MDEHUDIPAQAZIX-HNNXBMFYSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[N@@H+]1C1CC1 ZINC000891661537 591173361 /nfs/dbraw/zinc/17/33/61/591173361.db2.gz RSLLQBJSFPHFBB-YCPHGPKFSA-N 2 0 336.480 1.070 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCC[N@@H+]1CCC[C@@H]1C)[NH+]1CCN(C)CC1 ZINC000891753103 591211425 /nfs/dbraw/zinc/21/14/25/591211425.db2.gz RVGNQVVJMLXNHW-DLBZAZTESA-N 2 0 339.528 1.042 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880055 591215191 /nfs/dbraw/zinc/21/51/91/591215191.db2.gz YUOPBSKFCMLPEK-GFCCVEGCSA-N 2 0 337.493 1.496 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880056 591215313 /nfs/dbraw/zinc/21/53/13/591215313.db2.gz YUOPBSKFCMLPEK-LBPRGKRZSA-N 2 0 337.493 1.496 20 0 EDADRP COC(=O)c1sccc1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000892938523 591230942 /nfs/dbraw/zinc/23/09/42/591230942.db2.gz PBWIDEBLBZZMOP-UHFFFAOYSA-N 2 0 339.505 1.898 20 0 EDADRP C[C@@H](CCNS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](C)CC1 ZINC000894279032 591263008 /nfs/dbraw/zinc/26/30/08/591263008.db2.gz KTTSFXXJTHHFQT-HNNXBMFYSA-N 2 0 339.505 1.675 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CCC[C@@H]([NH2+]CCN2CC[NH2+]CC2)C1 ZINC000841045231 591331850 /nfs/dbraw/zinc/33/18/50/591331850.db2.gz PQENKSMJSMHFOI-UONOGXRCSA-N 2 0 333.423 1.238 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897407809 591368119 /nfs/dbraw/zinc/36/81/19/591368119.db2.gz DSDDMYWPYDCOQJ-MNEFBYGVSA-N 2 0 343.471 1.344 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[N@@H+]2CCC(C)(C)C2)CCO1 ZINC000898588313 591418741 /nfs/dbraw/zinc/41/87/41/591418741.db2.gz FPLSKCYQVWMSDS-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCC[N@@H+]2CC[C@@H](C)C2)cc1 ZINC000897454075 591459425 /nfs/dbraw/zinc/45/94/25/591459425.db2.gz ACTFOLQVVRSLTB-CRAIPNDOSA-N 2 0 348.491 1.939 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CC[NH+](C3CCOCC3)C[C@H]2C)C1 ZINC000897454120 591459685 /nfs/dbraw/zinc/45/96/85/591459685.db2.gz BCBMKALOXFDYCI-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP Cc1[nH+]c2cc(NC3CC[NH+](C4CC4)CC3)ccc2n1C(CO)CO ZINC000894918324 591474254 /nfs/dbraw/zinc/47/42/54/591474254.db2.gz KUFBEJJDHQCTQB-UHFFFAOYSA-N 2 0 344.459 1.909 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000897514837 591515042 /nfs/dbraw/zinc/51/50/42/591515042.db2.gz AITRKUDRWPNABK-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+](C)C2)CC[N@@H+]1CC(C)(C)O ZINC000897554123 591550755 /nfs/dbraw/zinc/55/07/55/591550755.db2.gz OJIKSEQKRFECPG-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H](CO)C[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000897725536 591636444 /nfs/dbraw/zinc/63/64/44/591636444.db2.gz VREWWGHJOMKCRC-FHWLQOOXSA-N 2 0 345.487 1.642 20 0 EDADRP CC[C@H](C)[NH2+][C@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccco1 ZINC000897729553 591652632 /nfs/dbraw/zinc/65/26/32/591652632.db2.gz CPXAHEBHJUZJOE-CWRNSKLLSA-N 2 0 335.448 1.546 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCN(CCCOC(C)(C)C)CC2)C1 ZINC000899221002 591739883 /nfs/dbraw/zinc/73/98/83/591739883.db2.gz GPNKVQOAMQSLBO-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP COC(=O)COc1ccc(C[NH2+]C[C@H]2CCN2C2CCOCC2)cc1 ZINC000897228834 591779221 /nfs/dbraw/zinc/77/92/21/591779221.db2.gz PJSICQQSRXIXKC-QGZVFWFLSA-N 2 0 348.443 1.581 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000897264148 591794554 /nfs/dbraw/zinc/79/45/54/591794554.db2.gz VCHAUUJNJUPNHP-ZACQAIPSSA-N 2 0 336.524 1.344 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898141295 591801104 /nfs/dbraw/zinc/80/11/04/591801104.db2.gz YRDUVFDNVDQBTH-SFHVURJKSA-N 2 0 345.487 1.734 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCCC23CC[NH+](C)CC3)n[nH]1 ZINC000897288091 591816502 /nfs/dbraw/zinc/81/65/02/591816502.db2.gz RXOJSZCUARQJPQ-MRXNPFEDSA-N 2 0 331.464 1.877 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CCC[NH+](Cc3ccccc3)CC2)C1 ZINC000900045115 591882035 /nfs/dbraw/zinc/88/20/35/591882035.db2.gz LSODAGVALBLLIE-FQEVSTJZSA-N 2 0 345.487 1.568 20 0 EDADRP CCOC(=O)N1C[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)[C@@H](CO)C1 ZINC000898355888 591887363 /nfs/dbraw/zinc/88/73/63/591887363.db2.gz FEDWIHYFWOKCOI-HIFRSBDPSA-N 2 0 327.469 1.288 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000900157791 591920151 /nfs/dbraw/zinc/92/01/51/591920151.db2.gz ITRRBDFKRVFDOG-HXUWFJFHSA-N 2 0 345.487 1.745 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)C12CC[NH+](CC1)C2 ZINC000900186957 591933807 /nfs/dbraw/zinc/93/38/07/591933807.db2.gz GXCVGYKWTQKQOJ-UHFFFAOYSA-N 2 0 327.472 1.906 20 0 EDADRP CCn1cc(CN2CC[C@H](Oc3ccnc(C[N@H+](C)CC)c3)C2)nn1 ZINC000899885517 591971797 /nfs/dbraw/zinc/97/17/97/591971797.db2.gz DANJZKCSFKATEF-SFHVURJKSA-N 2 0 344.463 1.798 20 0 EDADRP C[NH+]1CCC2(CCN2C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000899910121 591979674 /nfs/dbraw/zinc/97/96/74/591979674.db2.gz JXNQFVRXSKRDBV-FQEVSTJZSA-N 2 0 329.488 1.794 20 0 EDADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@@H]1COCC12OCCO2 ZINC000902390861 591990009 /nfs/dbraw/zinc/99/00/09/591990009.db2.gz PWKMQCQOIVBYBA-CABCVRRESA-N 2 0 326.481 1.770 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1)[C@H]1COc2ccccc2C1 ZINC000902794705 592064755 /nfs/dbraw/zinc/06/47/55/592064755.db2.gz YHVLJCLWQIEUMF-RYQLBKOJSA-N 2 0 345.487 1.803 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000900623213 592074588 /nfs/dbraw/zinc/07/45/88/592074588.db2.gz GPISJOYPMMCVRE-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP CN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000900656620 592082977 /nfs/dbraw/zinc/08/29/77/592082977.db2.gz MHJZGHSERYSHSD-LJQANCHMSA-N 2 0 349.475 1.437 20 0 EDADRP O=C1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)[C@@H]([C@@H]2CCCO2)N1 ZINC000903173274 592130210 /nfs/dbraw/zinc/13/02/10/592130210.db2.gz XYWTVGRTZINJNX-DQUFNHPKSA-N 2 0 333.476 1.560 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000900883784 592156542 /nfs/dbraw/zinc/15/65/42/592156542.db2.gz SULQLIBHCLLFSJ-XCRHUMRWSA-N 2 0 328.416 1.505 20 0 EDADRP C[C@H]1[C@H]([NH2+]CCCn2ccc(=O)[nH]c2=O)CCN1Cc1ccccc1 ZINC000903428077 592167807 /nfs/dbraw/zinc/16/78/07/592167807.db2.gz CUEJFJYGRPTRLH-DOTOQJQBSA-N 2 0 342.443 1.592 20 0 EDADRP COc1cc2c(c(OC)c1OC)CC[N@H+](C[C@@H]1C[NH2+]C[C@H]1C)CC2 ZINC000903457541 592171289 /nfs/dbraw/zinc/17/12/89/592171289.db2.gz WMWZJRXLTHDHTE-HIFRSBDPSA-N 2 0 334.460 1.969 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)C[N@@H+]1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000903499813 592179717 /nfs/dbraw/zinc/17/97/17/592179717.db2.gz PLSQMHBCNXRUDO-ZIAGYGMSSA-N 2 0 333.432 1.353 20 0 EDADRP Cc1cccc(N2CCN(C(=O)C[N@H+]3C[C@@H](C)[C@H](CC[NH3+])C3)CC2)c1 ZINC000903496921 592188147 /nfs/dbraw/zinc/18/81/47/592188147.db2.gz KIWDZIFFELEHHU-QZTJIDSGSA-N 2 0 344.503 1.560 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCO[C@@H]2CCCC[C@@H]2C)C[C@H]1CC[NH3+] ZINC000903496943 592188541 /nfs/dbraw/zinc/18/85/41/592188541.db2.gz KTJUXNNPYVDJKE-YLFCFFPRSA-N 2 0 325.497 1.615 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCC2SCCS2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526514 592198249 /nfs/dbraw/zinc/19/82/49/592198249.db2.gz JOSBVAYVILBYOP-DOMZBBRYSA-N 2 0 329.535 1.419 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(Cl)n1 ZINC000903525836 592198257 /nfs/dbraw/zinc/19/82/57/592198257.db2.gz RZUFYEUNQMNRLH-ZBFHGGJFSA-N 2 0 336.867 1.780 20 0 EDADRP [NH3+]CC1([C@@H]2CCCCN2S(=O)(=O)CC2CC[NH2+]CC2)CCC1 ZINC000903545748 592204060 /nfs/dbraw/zinc/20/40/60/592204060.db2.gz CAIALLNPLOLLBV-HNNXBMFYSA-N 2 0 329.510 1.299 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccc(N4CC[NH2+]CC4)o3)C2)C1 ZINC000904373427 592240822 /nfs/dbraw/zinc/24/08/22/592240822.db2.gz DOOCQLDHDWXNIO-NUJGCVRESA-N 3 0 348.491 1.408 20 0 EDADRP CN(c1ccccc1)c1ccc(CN2CC[NH2+]CC[NH2+]CC2)cn1 ZINC000904396522 592244078 /nfs/dbraw/zinc/24/40/78/592244078.db2.gz JREPWODZDZODFZ-UHFFFAOYSA-N 2 0 325.460 1.844 20 0 EDADRP Fc1ccc(-n2cc(CN3CC[NH2+]CC[NH2+]CC3)nn2)c(Cl)c1 ZINC000904396300 592244308 /nfs/dbraw/zinc/24/43/08/592244308.db2.gz FVJYINPREIJSQI-UHFFFAOYSA-N 2 0 338.818 1.055 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103926 592246163 /nfs/dbraw/zinc/24/61/63/592246163.db2.gz ITRGGQSDBLNVFE-MSOLQXFVSA-N 2 0 336.524 1.345 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]([NH+]3CCOCC3)CC2)C1 ZINC000907991257 592252637 /nfs/dbraw/zinc/25/26/37/592252637.db2.gz QGWFSRREEVCYDS-ROUUACIJSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CCC[C@@H]4CC[C@]43C[NH3+])n2)CC1 ZINC000904457731 592266099 /nfs/dbraw/zinc/26/60/99/592266099.db2.gz QONMQLAQMUAGKT-KDOFPFPSSA-N 2 0 346.479 1.885 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCC(CN=[S@@](C)(=O)N(C)C)CC2)CC[NH2+]1 ZINC000904477918 592269470 /nfs/dbraw/zinc/26/94/70/592269470.db2.gz ZTEPRQGGKISOOJ-WEBUEUPWSA-N 2 0 330.542 1.661 20 0 EDADRP O=C(C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1)N1CCCC1 ZINC000903719363 592281475 /nfs/dbraw/zinc/28/14/75/592281475.db2.gz YUUPYDKNLHUBMZ-KRWDZBQOSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(c1ccsc1)N1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722567 592284307 /nfs/dbraw/zinc/28/43/07/592284307.db2.gz MYTBLCDHYQABRK-AEFFLSMTSA-N 2 0 349.500 1.665 20 0 EDADRP Clc1ccc(N2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903731961 592288399 /nfs/dbraw/zinc/28/83/99/592288399.db2.gz BIXAJGZOEIATCW-WBVHZDCISA-N 2 0 336.867 1.626 20 0 EDADRP Cc1ccccc1C[NH+]1CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903732965 592289381 /nfs/dbraw/zinc/28/93/81/592289381.db2.gz IMTGYOYYFFMJQC-VQTJNVASSA-N 2 0 329.488 1.881 20 0 EDADRP C(C[N@H+](CC1CC1)C[C@@H]1CC2(CO1)CC[NH2+]CC2)N1CCOCC1 ZINC000903765279 592308765 /nfs/dbraw/zinc/30/87/65/592308765.db2.gz GJDIINOQFBJFPY-SFHVURJKSA-N 2 0 337.508 1.189 20 0 EDADRP CCC[C@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000903755415 592313650 /nfs/dbraw/zinc/31/36/50/592313650.db2.gz GTZVNZJGTYXGKY-ZWKOTPCHSA-N 2 0 339.524 1.578 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000901260278 592315829 /nfs/dbraw/zinc/31/58/29/592315829.db2.gz YNRCQEAWIQXHPQ-QGZVFWFLSA-N 2 0 338.540 1.591 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)CCCN2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000901270149 592319764 /nfs/dbraw/zinc/31/97/64/592319764.db2.gz IRWHLYSVYSOSKJ-ZWKOTPCHSA-N 2 0 338.540 1.734 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CCN1c1cc[nH+]cc1 ZINC000903783148 592320973 /nfs/dbraw/zinc/32/09/73/592320973.db2.gz VCTUILZERVVMTI-SJLPKXTDSA-N 2 0 330.476 1.751 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)c1 ZINC000903783192 592321114 /nfs/dbraw/zinc/32/11/14/592321114.db2.gz WCZLIZYOFOMIDG-CEXWTWQISA-N 2 0 331.460 1.410 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903782687 592321464 /nfs/dbraw/zinc/32/14/64/592321464.db2.gz QPNVTKLVNSQSIA-OALUTQOASA-N 2 0 345.487 1.800 20 0 EDADRP C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000901359331 592347172 /nfs/dbraw/zinc/34/71/72/592347172.db2.gz CUMYGDSGGGTYDG-BOLBYERCSA-N 2 0 345.487 1.468 20 0 EDADRP C[N@@H+]1CCN(Cc2cnnn2[C@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000903872721 592354336 /nfs/dbraw/zinc/35/43/36/592354336.db2.gz ARUFJYYHIDROAR-PKOBYXMFSA-N 2 0 340.475 1.691 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(NC(=O)C(C)C)CC2)cnn1C ZINC000903886422 592364083 /nfs/dbraw/zinc/36/40/83/592364083.db2.gz SDMRZZFTGBLQJY-OAHLLOKOSA-N 2 0 335.496 1.083 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H]([NH+]3CCCC3)CC2)cnn1C ZINC000903896108 592367495 /nfs/dbraw/zinc/36/74/95/592367495.db2.gz SGUNJVVQEPPXMO-PKOBYXMFSA-N 2 0 333.524 1.796 20 0 EDADRP CCN(C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)S(C)(=O)=O ZINC000903904151 592372227 /nfs/dbraw/zinc/37/22/27/592372227.db2.gz PTQHKILUBAEASO-GOOCMWNKSA-N 2 0 329.510 1.263 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000908202077 592379203 /nfs/dbraw/zinc/37/92/03/592379203.db2.gz IFEWPQOGSGVXLK-MSOLQXFVSA-N 2 0 331.460 1.081 20 0 EDADRP C[NH+](C)Cc1cc(CNCc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1F ZINC000903925978 592380239 /nfs/dbraw/zinc/38/02/39/592380239.db2.gz QJBCPXOUNVYMRX-MRXNPFEDSA-N 2 0 346.454 1.693 20 0 EDADRP NC(=O)[C@@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)Cc1ccc(F)cc1 ZINC000903927080 592380688 /nfs/dbraw/zinc/38/06/88/592380688.db2.gz PTYJWOLAPOHAPW-QGZVFWFLSA-N 2 0 341.430 1.905 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000903934752 592385862 /nfs/dbraw/zinc/38/58/62/592385862.db2.gz JXSDCSDYXAWFGO-DYEKYZERSA-N 2 0 346.401 1.162 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCCCCNC(=O)CC2)cnn1C ZINC000903935896 592386242 /nfs/dbraw/zinc/38/62/42/592386242.db2.gz VOUUMXKCBMOGGR-MRXNPFEDSA-N 2 0 335.496 1.228 20 0 EDADRP C[N@H+](CCc1ccc2c(c1)OCO2)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000903960125 592391571 /nfs/dbraw/zinc/39/15/71/592391571.db2.gz XVTGKVRCQGZAOP-HNNXBMFYSA-N 2 0 333.432 1.087 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947729 592394124 /nfs/dbraw/zinc/39/41/24/592394124.db2.gz GHVFJXOYZIABKA-AEFFLSMTSA-N 2 0 337.508 1.712 20 0 EDADRP COCCCn1nccc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980535 592400932 /nfs/dbraw/zinc/40/09/32/592400932.db2.gz UKKGMYQIIJZKEG-KDURUIRLSA-N 2 0 347.507 1.320 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C[C@H]3CC[N@H+](C)C3)n2)ccn1 ZINC000904024262 592410180 /nfs/dbraw/zinc/41/01/80/592410180.db2.gz ZJBYWMSWHIHPRT-CYBMUJFWSA-N 2 0 331.420 1.566 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@@H](O)CC[C@H](O)c2ccccc2)CC1 ZINC000905109192 592410245 /nfs/dbraw/zinc/41/02/45/592410245.db2.gz CPIASILEZVUYDU-OALUTQOASA-N 2 0 349.519 1.477 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4[C@@H]5CC[NH2+]C[C@@H]54)n3)c2)CC1 ZINC000904103618 592426872 /nfs/dbraw/zinc/42/68/72/592426872.db2.gz BJCYFJUDVOOEIC-IJEWVQPXSA-N 2 0 340.431 1.206 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)CC1(O)CCCC1 ZINC000905175098 592454499 /nfs/dbraw/zinc/45/44/99/592454499.db2.gz MQEQRZBUYJKMFP-GVDBMIGSSA-N 2 0 326.481 1.010 20 0 EDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000904301133 592471557 /nfs/dbraw/zinc/47/15/57/592471557.db2.gz HPEUCSAVSZZNOP-IXDOHACOSA-N 3 0 338.540 1.720 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000905353362 592504011 /nfs/dbraw/zinc/50/40/11/592504011.db2.gz GLZVWFXTCXRZQN-MRXNPFEDSA-N 2 0 337.489 1.701 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(S(=O)(=O)CC2CC[NH2+]CC2)CC1 ZINC000905357244 592505367 /nfs/dbraw/zinc/50/53/67/592505367.db2.gz TXDVOWWQVNBIMM-OAHLLOKOSA-N 2 0 329.510 1.026 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000905361634 592508700 /nfs/dbraw/zinc/50/87/00/592508700.db2.gz IBTUDHAUEWEFPH-UHFFFAOYSA-N 2 0 329.510 1.011 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)S(=O)(=O)CC1CC[NH2+]CC1 ZINC000905338698 592510454 /nfs/dbraw/zinc/51/04/54/592510454.db2.gz JZHBDWRKMFIPHA-UHFFFAOYSA-N 2 0 345.553 1.760 20 0 EDADRP CN(C)c1nccc2cc(NC(=O)[C@@]3(C)C[C@@H](O)CN3C)ccc21 ZINC000908535858 592528323 /nfs/dbraw/zinc/52/83/23/592528323.db2.gz ZMQPGXLFWFMZLS-RDTXWAMCSA-N 2 0 328.416 1.694 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000908604218 592550767 /nfs/dbraw/zinc/55/07/67/592550767.db2.gz HCJMLCOPECYGSN-UHFFFAOYSA-N 2 0 334.464 1.108 20 0 EDADRP CCO[C@H](C[NH2+]CCC(=O)Nc1cc(F)cc(F)c1)CN(C)C ZINC000905580989 592579923 /nfs/dbraw/zinc/57/99/23/592579923.db2.gz RPRUZXPUXZILTE-OAHLLOKOSA-N 2 0 329.391 1.850 20 0 EDADRP O[C@H](C[NH2+]CC1(n2cc(Br)cn2)CC1)C[NH+]1CCCC1 ZINC000905585991 592582146 /nfs/dbraw/zinc/58/21/46/592582146.db2.gz JAIDRXCADKJKKE-CYBMUJFWSA-N 2 0 343.269 1.181 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CCC1 ZINC000908936196 592671833 /nfs/dbraw/zinc/67/18/33/592671833.db2.gz KPMKRZCNXWZIDP-PKOBYXMFSA-N 2 0 345.487 1.612 20 0 EDADRP CC[C@@](O)(C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C(F)(F)F ZINC000905934189 592688233 /nfs/dbraw/zinc/68/82/33/592688233.db2.gz RKQMKGBIIUEFKC-TZMCWYRMSA-N 2 0 326.403 1.714 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H](O)c2ccccc2)[C@H](C)C1 ZINC000906085238 592738671 /nfs/dbraw/zinc/73/86/71/592738671.db2.gz KBYMARWPCCBUIP-KBAYOESNSA-N 2 0 333.476 1.626 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218254 592760631 /nfs/dbraw/zinc/76/06/31/592760631.db2.gz ILJGOAZHUJXMEG-OAHLLOKOSA-N 2 0 333.480 1.151 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1)C(C)C ZINC000911231155 592971098 /nfs/dbraw/zinc/97/10/98/592971098.db2.gz VGQWWODDRFJPLA-JKSUJKDBSA-N 2 0 340.512 1.055 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)[C@]12CC[C@H]1C[NH2+]C2 ZINC000911743953 592994898 /nfs/dbraw/zinc/99/48/98/592994898.db2.gz FENUZNDQKHHFIJ-GMBSWORKSA-N 2 0 343.427 1.534 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000911755255 592998212 /nfs/dbraw/zinc/99/82/12/592998212.db2.gz QPCVKBARWNIPRB-UONOGXRCSA-N 2 0 340.265 1.577 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)[C@H]2NCCOc3ccccc32)cc1 ZINC000911733769 592999126 /nfs/dbraw/zinc/99/91/26/592999126.db2.gz CWMHMGBJEGAJGR-SFHVURJKSA-N 2 0 325.412 1.527 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000911799614 593012487 /nfs/dbraw/zinc/01/24/87/593012487.db2.gz IZTZGXKVORNJKU-UHFFFAOYSA-N 2 0 333.476 1.947 20 0 EDADRP C[NH+]1CCC(N(CCO)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000911940174 593040235 /nfs/dbraw/zinc/04/02/35/593040235.db2.gz ICDNGLSAIAZLDH-MRXNPFEDSA-N 2 0 337.508 1.556 20 0 EDADRP O=C(N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1)C12CC[NH+](CC1)C2 ZINC000912303593 593085147 /nfs/dbraw/zinc/08/51/47/593085147.db2.gz KLZUZAATHVXXKO-MSOLQXFVSA-N 2 0 341.455 1.194 20 0 EDADRP C[C@@]1(NC(=O)C2CCC([NH+]3CCOCC3)CC2)C[NH+]2CCC1CC2 ZINC000912376233 593091395 /nfs/dbraw/zinc/09/13/95/593091395.db2.gz UGBSLKLFUIPBER-GXOAENINSA-N 2 0 335.492 1.478 20 0 EDADRP C[C@H](O)c1ncc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)s1 ZINC000809643888 593352117 /nfs/dbraw/zinc/35/21/17/593352117.db2.gz LLBPTXKJUVDZRC-ZDUSSCGKSA-N 2 0 326.510 1.702 20 0 EDADRP CC[C@H](C(=O)O[C@H]1CCCN(c2cc[nH+]c(N)n2)C1)[NH+](CC)CC ZINC000810764502 593428151 /nfs/dbraw/zinc/42/81/51/593428151.db2.gz JXQGHHMTMMLIJV-UONOGXRCSA-N 2 0 335.452 1.691 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000816681608 593540373 /nfs/dbraw/zinc/54/03/73/593540373.db2.gz BRZWTTZYAMAKRU-OAHLLOKOSA-N 2 0 335.492 1.573 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2COC3(CCCC3)O2)CC[NH2+]CC1 ZINC000817918848 593648470 /nfs/dbraw/zinc/64/84/70/593648470.db2.gz NVHNHMVGYKMICP-GJZGRUSLSA-N 2 0 340.464 1.583 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000817936295 593650252 /nfs/dbraw/zinc/65/02/52/593650252.db2.gz MYBMXCMEXRWVLU-QUCCMNQESA-N 2 0 346.519 1.161 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@@H](O)c2ccc(F)cc2F)CC1 ZINC000819134777 593740727 /nfs/dbraw/zinc/74/07/27/593740727.db2.gz MZGWUNARLAWRSN-QGZVFWFLSA-N 2 0 327.419 1.614 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccc(-c2nn[nH]n2)cc1F ZINC000823713187 593840363 /nfs/dbraw/zinc/84/03/63/593840363.db2.gz DTZJMDHDNAREHL-HNNXBMFYSA-N 2 0 348.426 1.332 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)NOCC3CCC3)CC2)CC1 ZINC000824112673 593932392 /nfs/dbraw/zinc/93/23/92/593932392.db2.gz XMQJORNTUBLYBL-UHFFFAOYSA-N 2 0 338.496 1.920 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(-c2nn[nH]n2)cc1F ZINC000824412863 594005513 /nfs/dbraw/zinc/00/55/13/594005513.db2.gz GXUOIBWBDILZIS-QWHCGFSZSA-N 2 0 347.442 1.292 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2ccc(N3CCC[N@H+](C)CC3)nc2)no1 ZINC000822951263 594127322 /nfs/dbraw/zinc/12/73/22/594127322.db2.gz ONRMJOKYTLMUOM-HIFRSBDPSA-N 2 0 342.447 1.739 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(CCCCC[NH3+])n3)cn2)CC1 ZINC000822956900 594128484 /nfs/dbraw/zinc/12/84/84/594128484.db2.gz QPBDFVHJGRSNOC-UHFFFAOYSA-N 2 0 344.463 1.945 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCCON3C(=O)c4ccccc4C3=O)C2)C1 ZINC000830009037 594313906 /nfs/dbraw/zinc/31/39/06/594313906.db2.gz ODQVUQGFJREXHX-IBGZPJMESA-N 2 0 343.427 1.632 20 0 EDADRP Cc1cccc(CN2CCO[C@@H](CNC(=O)CCc3c[nH]cn3)C2)c1 ZINC000826555464 594524285 /nfs/dbraw/zinc/52/42/85/594524285.db2.gz BUBSIIMTXRIHSG-SFHVURJKSA-N 2 0 342.443 1.668 20 0 EDADRP COC(=O)C[C@H](N)C(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1 ZINC000827482518 594676335 /nfs/dbraw/zinc/67/63/35/594676335.db2.gz QAAZLMWUIRFRQD-AWEZNQCLSA-N 2 0 342.399 1.715 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[C@@H]([NH2+]C)C3)cc2)CC1 ZINC000841018547 594840408 /nfs/dbraw/zinc/84/04/08/594840408.db2.gz WGOORLKHNUROAI-MRXNPFEDSA-N 2 0 331.464 1.654 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]C[C@H](O)c2ccc3ccccc3c2)C1 ZINC000841096548 594850261 /nfs/dbraw/zinc/85/02/61/594850261.db2.gz ZSJATGCKQVXSTA-KXBFYZLASA-N 2 0 341.455 1.660 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCc2ccc(CC[NH3+])cc2)C[C@@H](C)O1 ZINC000841676592 594934577 /nfs/dbraw/zinc/93/45/77/594934577.db2.gz XJXXRDTZDLFPPO-HZPDHXFCSA-N 2 0 348.491 1.486 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847376 594964830 /nfs/dbraw/zinc/96/48/30/594964830.db2.gz VTYINCNAPFMITG-WBMJQRKESA-N 2 0 331.416 1.674 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCCCCCC[NH+]2CCCC2)CCO1 ZINC000841850060 594965160 /nfs/dbraw/zinc/96/51/60/594965160.db2.gz WHDNACSULTVLLK-DLBZAZTESA-N 2 0 340.512 1.790 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000841899080 594977350 /nfs/dbraw/zinc/97/73/50/594977350.db2.gz SDMPPCODOHULDW-LPHOPBHVSA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000841926515 594983293 /nfs/dbraw/zinc/98/32/93/594983293.db2.gz BALSHQNUECLYMI-GOSISDBHSA-N 2 0 346.475 1.052 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000843388626 595097345 /nfs/dbraw/zinc/09/73/45/595097345.db2.gz UTIFBHMSUPXKMM-KGLIPLIRSA-N 2 0 341.477 1.351 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000842509630 595123184 /nfs/dbraw/zinc/12/31/84/595123184.db2.gz LHXHNZFBSHTLDL-MRXNPFEDSA-N 2 0 336.484 1.412 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843486900 595126562 /nfs/dbraw/zinc/12/65/62/595126562.db2.gz KQXWYDPICFVGHI-QGZVFWFLSA-N 2 0 337.439 1.485 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000834448616 595126862 /nfs/dbraw/zinc/12/68/62/595126862.db2.gz UARHJFZYZQOSQJ-INIZCTEOSA-N 2 0 326.444 1.640 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](CCCCCC[NH3+])CC2)c1OC ZINC000846218937 595176602 /nfs/dbraw/zinc/17/66/02/595176602.db2.gz ZTQMPVLBHPKEGF-UHFFFAOYSA-N 2 0 349.475 1.981 20 0 EDADRP CCc1ccc([C@H](CNC(=O)CO[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000844166057 595288990 /nfs/dbraw/zinc/28/89/90/595288990.db2.gz YGXHCOCOSLQMIQ-MSOLQXFVSA-N 2 0 333.476 1.737 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)CO[C@@H]2CCC[NH2+]C2)cc1 ZINC000844171672 595290919 /nfs/dbraw/zinc/29/09/19/595290919.db2.gz PTTOMDPJMIUFJH-QGZVFWFLSA-N 2 0 335.448 1.012 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000844176772 595293064 /nfs/dbraw/zinc/29/30/64/595293064.db2.gz UGMIYKXMWSYAQI-MRXNPFEDSA-N 2 0 335.448 1.012 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000844181557 595294418 /nfs/dbraw/zinc/29/44/18/595294418.db2.gz ROCVSTJWPUYYCP-ROUUACIJSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844190543 595297861 /nfs/dbraw/zinc/29/78/61/595297861.db2.gz BMPMNKJNRKKWLC-HNNXBMFYSA-N 2 0 332.448 1.146 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC000844199763 595300704 /nfs/dbraw/zinc/30/07/04/595300704.db2.gz SELVIUBKUSRWTQ-QZTJIDSGSA-N 2 0 337.508 1.997 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCCN2C(=O)C2CC[NH+](C3CC3)CC2)C1 ZINC000846698245 595303703 /nfs/dbraw/zinc/30/37/03/595303703.db2.gz CJPPZMDEONQWJB-NXHRZFHOSA-N 2 0 335.492 1.748 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc3nonc3c2)CC1 ZINC000846822234 595321596 /nfs/dbraw/zinc/32/15/96/595321596.db2.gz LGEPXFJXUAQUGO-UHFFFAOYSA-N 2 0 331.420 1.113 20 0 EDADRP NC(=O)[C@H]1CCCC[N@@H+]1CCCCCC[NH+]1CCCC[C@H]1C(N)=O ZINC000105570120 595366161 /nfs/dbraw/zinc/36/61/61/595366161.db2.gz ONEZGELQWUZWNI-IYBDPMFKSA-N 2 0 338.496 1.226 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000844901553 595410537 /nfs/dbraw/zinc/41/05/37/595410537.db2.gz GPKCKYVMQXIXLU-JZXOWHBKSA-N 2 0 347.459 1.269 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc([C@@H](N)CC[NH+](C)C)n2)cc1 ZINC000844912585 595412790 /nfs/dbraw/zinc/41/27/90/595412790.db2.gz OJVRGRUPUBKHJU-HNNXBMFYSA-N 2 0 333.436 1.629 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@@H](O)COc1cccc(F)c1 ZINC000849059806 595476657 /nfs/dbraw/zinc/47/66/57/595476657.db2.gz OQFNRUASVIORNX-LSDHHAIUSA-N 2 0 338.427 1.164 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCCc1ccc(OC)cc1OC ZINC000849068532 595477530 /nfs/dbraw/zinc/47/75/30/595477530.db2.gz NWFJUDRYZYHYSL-OAHLLOKOSA-N 2 0 334.464 1.845 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCO1 ZINC000849095155 595481054 /nfs/dbraw/zinc/48/10/54/595481054.db2.gz YNKGGKQOCYHVTK-OAHLLOKOSA-N 2 0 346.475 1.388 20 0 EDADRP COC[C@H](C)NC(=[NH2+])NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000849100607 595481704 /nfs/dbraw/zinc/48/17/04/595481704.db2.gz MOSKNMIVDCMJRX-HNNXBMFYSA-N 2 0 334.464 1.810 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)cc1 ZINC000852793747 595545799 /nfs/dbraw/zinc/54/57/99/595545799.db2.gz GDGMXQNLNFFVHI-INIZCTEOSA-N 2 0 342.447 1.024 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)cn1 ZINC000849500246 595551513 /nfs/dbraw/zinc/55/15/13/595551513.db2.gz OXIVCWNXCJHPRN-MLHJIOFPSA-N 2 0 345.491 1.198 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849541576 595560677 /nfs/dbraw/zinc/56/06/77/595560677.db2.gz PFQAHBOPPCVEIJ-OIISXLGYSA-N 2 0 335.496 1.302 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572601 595574871 /nfs/dbraw/zinc/57/48/71/595574871.db2.gz CFKOLTQIOKDGDR-SJORKVTESA-N 2 0 347.507 1.304 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C3=NO[C@H](C[NH3+])C3)cc2)CC1 ZINC000852858020 595580035 /nfs/dbraw/zinc/58/00/35/595580035.db2.gz MWPNHKRHXLTNCE-INIZCTEOSA-N 2 0 330.432 1.961 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)N2CC(C[NH+](C)C)C2)[C@H](c2cnn(C)c2)C1 ZINC000849596635 595587081 /nfs/dbraw/zinc/58/70/81/595587081.db2.gz AWOZNVIGSNLRPD-ROUUACIJSA-N 2 0 347.507 1.254 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852871954 595591348 /nfs/dbraw/zinc/59/13/48/595591348.db2.gz FZAFAXQOMWJTCN-IRXDYDNUSA-N 2 0 344.459 1.461 20 0 EDADRP NC(=O)COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000853093816 595663508 /nfs/dbraw/zinc/66/35/08/595663508.db2.gz RVMCSNWYQWFXOP-QGZVFWFLSA-N 2 0 331.460 1.762 20 0 EDADRP CC[C@@H]1C[C@@H](C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)CCO1 ZINC000853248525 595719469 /nfs/dbraw/zinc/71/94/69/595719469.db2.gz VGTOFRQAHUSVSW-DOTOQJQBSA-N 2 0 325.497 1.772 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNc2cc[nH+]c(CO)c2)CC1 ZINC000858439693 595795018 /nfs/dbraw/zinc/79/50/18/595795018.db2.gz QNUKMAZNMRUZIB-UHFFFAOYSA-N 2 0 334.464 1.613 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@H+](CCC1CC1)CC1CC1)C2=O ZINC000853604502 595826750 /nfs/dbraw/zinc/82/67/50/595826750.db2.gz FXETVWJXTFSMNH-UHFFFAOYSA-N 2 0 334.464 1.472 20 0 EDADRP C[C@H](CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)[NH+](C)C ZINC000853741444 595868361 /nfs/dbraw/zinc/86/83/61/595868361.db2.gz ICXGHNBULFZZRO-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP Cn1ccnc1[C@@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000851868818 595954664 /nfs/dbraw/zinc/95/46/64/595954664.db2.gz VOGRCSIJRAYHFI-SNVBAGLBSA-N 2 0 325.214 1.264 20 0 EDADRP CO[C@@H]1C[N@H+](C)[C@@](C)(COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354043 595959396 /nfs/dbraw/zinc/95/93/96/595959396.db2.gz SAKUDRHQAJVNOY-XKQJLSEDSA-N 2 0 330.444 1.851 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CC[C@H]3COC(C)(C)O3)CC2)CC1 ZINC000851934973 595976840 /nfs/dbraw/zinc/97/68/40/595976840.db2.gz QKCJPQOVYIDJJW-KRWDZBQOSA-N 2 0 339.524 1.878 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@H](COC)OC)C2)ccn1 ZINC000856583561 596021030 /nfs/dbraw/zinc/02/10/30/596021030.db2.gz JYZFWUFWYYNXIS-ZWKOTPCHSA-N 2 0 337.464 1.648 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@@](C)(O)C(C)=O)C2)ccn1 ZINC000856584553 596023079 /nfs/dbraw/zinc/02/30/79/596023079.db2.gz MJFHFUCLJVXESQ-QZTJIDSGSA-N 2 0 335.448 1.326 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCN3CCCC3=O)C2)ccn1 ZINC000856591593 596025040 /nfs/dbraw/zinc/02/50/40/596025040.db2.gz OHGKXVFYVYIPGM-SFHVURJKSA-N 2 0 346.475 1.609 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N(C)C[C@@H](C)[NH3+])CC1 ZINC000861554426 596028531 /nfs/dbraw/zinc/02/85/31/596028531.db2.gz QPBDFAYEOJXBSX-MRXNPFEDSA-N 2 0 347.507 1.313 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@]1(C)Br ZINC000859352698 596060614 /nfs/dbraw/zinc/06/06/14/596060614.db2.gz WGLYJLOTWAGQCY-UKRRQHHQSA-N 2 0 348.329 1.892 20 0 EDADRP CC(C)(C)OC(=O)CC1([NH2+]C[C@H](O)C[NH+]2CCCC2)CCOCC1 ZINC000852179811 596072410 /nfs/dbraw/zinc/07/24/10/596072410.db2.gz BEPARSVLTHIZPZ-HNNXBMFYSA-N 2 0 342.480 1.314 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)c1cccc([C@H]2CCC[N@H+](C)C2)c1 ZINC000857163521 596173068 /nfs/dbraw/zinc/17/30/68/596173068.db2.gz ZVQFABVSDCDVDY-HKUYNNGSSA-N 2 0 333.476 1.538 20 0 EDADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CCC([NH+]2CCOCC2)CC1 ZINC000862217252 596278055 /nfs/dbraw/zinc/27/80/55/596278055.db2.gz WTAIWRGYXKBBMI-QGZVFWFLSA-N 2 0 349.519 1.964 20 0 EDADRP NC(=O)c1ccc(CC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000866668902 596285951 /nfs/dbraw/zinc/28/59/51/596285951.db2.gz LCPQBOGLQDBSLG-KZNAEPCWSA-N 2 0 331.460 1.689 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2cccc3cccnc32)C1 ZINC000866714492 596306922 /nfs/dbraw/zinc/30/69/22/596306922.db2.gz PXFJLDPOVZKAJF-YESZJQIVSA-N 2 0 338.411 1.602 20 0 EDADRP COc1cccc([C@H](CNC(=O)CCC23CC(C2)C[NH2+]3)[NH+](C)C)c1 ZINC000870854391 596377780 /nfs/dbraw/zinc/37/77/80/596377780.db2.gz ZCXWNRBLWVGTEC-KGYZHSKHSA-N 2 0 331.460 1.946 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[C@H]([NH3+])CC2)[C@@H](C)C1 ZINC000870887515 596391395 /nfs/dbraw/zinc/39/13/95/596391395.db2.gz CPYPRJYPNFSYMD-QAETUUGQSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2ccc(-n3ccnc3)nn2)C1 ZINC000870992160 596432061 /nfs/dbraw/zinc/43/20/61/596432061.db2.gz MXMPCGONRSSJOZ-KRWDZBQOSA-N 2 0 328.420 1.499 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000870994593 596432509 /nfs/dbraw/zinc/43/25/09/596432509.db2.gz SQSBIRIGWUUVBH-CRAIPNDOSA-N 2 0 333.480 1.645 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@]34CC[NH2+]C4)cc2F)CC1 ZINC000871012590 596438852 /nfs/dbraw/zinc/43/88/52/596438852.db2.gz XHUZSYFVAOIWRG-HNAYVOBHSA-N 2 0 346.450 1.906 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NCc2cccs2)C[C@H]1C[NH+](C)C ZINC000865246004 596523049 /nfs/dbraw/zinc/52/30/49/596523049.db2.gz VYPBVEYFQLPHEI-ZIAGYGMSSA-N 2 0 340.562 1.794 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000865457249 596581198 /nfs/dbraw/zinc/58/11/98/596581198.db2.gz SJUJJSLZEVCSEZ-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000863555727 596617497 /nfs/dbraw/zinc/61/74/97/596617497.db2.gz WDWZCWQDOBFWIC-HUUCEWRRSA-N 2 0 329.485 1.678 20 0 EDADRP C[NH+](C)CCOc1ccc(NC[C@H](O)C[NH+]2CCCC2)cc1F ZINC000863559765 596618875 /nfs/dbraw/zinc/61/88/75/596618875.db2.gz UQFSCNYORLTFMT-HNNXBMFYSA-N 2 0 325.428 1.635 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@@]2(CCC[NH2+]2)C1)c1cccc(Br)c1 ZINC000867978465 596642646 /nfs/dbraw/zinc/64/26/46/596642646.db2.gz LTMAVZCCKYSHTB-HIFRSBDPSA-N 2 0 338.249 1.803 20 0 EDADRP CNS(=O)(=O)c1ccc(CC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865817916 596696313 /nfs/dbraw/zinc/69/63/13/596696313.db2.gz IYWPRKDJHDLSTE-CVEARBPZSA-N 2 0 337.489 1.354 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@H]3C[C@H]([NH3+])C3)c2)CC1 ZINC000868149082 596702751 /nfs/dbraw/zinc/70/27/51/596702751.db2.gz UAQMQGLSGOFAEL-SHTZXODSSA-N 2 0 331.464 1.687 20 0 EDADRP c1c(-c2nc(C3C[C@H]4CC[C@@H](C3)[NH2+]4)no2)nnn1[C@H]1CCC[NH2+]CC1 ZINC000871800844 596702927 /nfs/dbraw/zinc/70/29/27/596702927.db2.gz XCMSGVQNUPTISM-GSPSYOTPSA-N 2 0 343.435 1.641 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nccc3occc32)C[C@H]1C[NH+](C)C ZINC000870016933 596708811 /nfs/dbraw/zinc/70/88/11/596708811.db2.gz BMUCDIQSXPIQEN-ZIAGYGMSSA-N 2 0 330.432 1.639 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccn(C(F)F)n2)C[C@H]1C[NH+](C)C ZINC000870022490 596712444 /nfs/dbraw/zinc/71/24/44/596712444.db2.gz UAIHJWRIMDBXFA-VXGBXAGGSA-N 2 0 329.395 1.090 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2c[nH]nc2[C@H]2CCCO2)C[C@H]1C[NH+](C)C ZINC000870025819 596714435 /nfs/dbraw/zinc/71/44/35/596714435.db2.gz YZNZKQBQPBACDJ-IIAWOOMASA-N 2 0 349.479 1.073 20 0 EDADRP COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1OC ZINC000870024504 596714763 /nfs/dbraw/zinc/71/47/63/596714763.db2.gz DLFGEGGNPBQFPW-HZPDHXFCSA-N 2 0 349.475 1.515 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868187707 596715394 /nfs/dbraw/zinc/71/53/94/596715394.db2.gz OEFGGCRIHYOBNN-DLBZAZTESA-N 2 0 332.448 1.734 20 0 EDADRP CN1CCn2nc(NC(=O)NCc3ccc(CC[NH3+])cc3)cc2C1 ZINC000868203112 596722089 /nfs/dbraw/zinc/72/20/89/596722089.db2.gz BVBFREBDWHBVDU-UHFFFAOYSA-N 2 0 328.420 1.151 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@H+](C)CCN2C)CC1 ZINC000868235752 596739645 /nfs/dbraw/zinc/73/96/45/596739645.db2.gz GNYFKWWXMXMANC-KRWDZBQOSA-N 2 0 339.528 1.042 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nccnc2OC2CCC2)C[C@H]1C[NH+](C)C ZINC000866010442 596757014 /nfs/dbraw/zinc/75/70/14/596757014.db2.gz ITWLJHMTXPOEHA-HUUCEWRRSA-N 2 0 333.480 1.584 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2ncnc3c(F)cccc32)C[C@H]1C[NH+](C)C ZINC000866012227 596757531 /nfs/dbraw/zinc/75/75/31/596757531.db2.gz USTRGCFPBWBLII-ZIAGYGMSSA-N 2 0 331.439 1.945 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868372492 596809478 /nfs/dbraw/zinc/80/94/78/596809478.db2.gz WLHXDVJPJGWGRM-HJOIGYKYSA-N 2 0 339.528 1.184 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](C[C@H]3CC4(CO3)CCOCC4)CC2)C1 ZINC000872145935 596809866 /nfs/dbraw/zinc/80/98/66/596809866.db2.gz ZPKPZAYCUJPUCV-KZNAEPCWSA-N 2 0 338.492 1.790 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](Cc2cccc(C3CC3)c2)C1 ZINC000872255309 596856589 /nfs/dbraw/zinc/85/65/89/596856589.db2.gz BBYLVLHSUDVGSH-FGTMMUONSA-N 2 0 327.428 1.931 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2scnc2C2CC2)C1 ZINC000872256984 596857538 /nfs/dbraw/zinc/85/75/38/596857538.db2.gz HAZHAADJVNRAGY-RWMBFGLXSA-N 2 0 334.445 1.387 20 0 EDADRP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411466 596879597 /nfs/dbraw/zinc/87/95/97/596879597.db2.gz MVGWBFIBCGEKEV-BBRMVZONSA-N 2 0 337.439 1.978 20 0 EDADRP CC[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875676549 596943665 /nfs/dbraw/zinc/94/36/65/596943665.db2.gz PLTTVJQHKBQPBD-VQHPVUNQSA-N 2 0 340.512 1.325 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H](C)[NH+](CCOC)[C@@H](C)C1)C1CC1 ZINC000124921540 597004940 /nfs/dbraw/zinc/00/49/40/597004940.db2.gz FTAPSKHBQLOSBQ-GASCZTMLSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CCC1)[C@@H]1CCOC1 ZINC000876098240 597089222 /nfs/dbraw/zinc/08/92/22/597089222.db2.gz NLSPPECNRSOTLW-SJORKVTESA-N 2 0 340.512 1.326 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)NCC[NH+](C)C)C2)c1 ZINC000876194284 597127607 /nfs/dbraw/zinc/12/76/07/597127607.db2.gz VWPCTADLCYBRKO-QGZVFWFLSA-N 2 0 334.464 1.057 20 0 EDADRP CC(C)(C)n1cc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)cn1 ZINC000873219322 597231504 /nfs/dbraw/zinc/23/15/04/597231504.db2.gz XTBASYWMXVTXLF-UHFFFAOYSA-N 2 0 339.447 1.967 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000876538413 597232788 /nfs/dbraw/zinc/23/27/88/597232788.db2.gz PWUJLNUJRSEHGL-KRWDZBQOSA-N 2 0 345.491 1.720 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)nn1 ZINC000873247682 597239315 /nfs/dbraw/zinc/23/93/15/597239315.db2.gz RUPXDUXGLPHPHI-DOTOQJQBSA-N 3 0 326.448 1.442 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000875005046 597240527 /nfs/dbraw/zinc/24/05/27/597240527.db2.gz IQXWIGPJWBBLKB-GUDVDZBRSA-N 2 0 342.487 1.997 20 0 EDADRP Cn1ncc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)cnc21 ZINC000876654309 597277147 /nfs/dbraw/zinc/27/71/47/597277147.db2.gz BNMMSXJMUDRYAH-UHFFFAOYSA-N 2 0 343.475 1.903 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)N[C@H](C)Cn2ccnc2)CC1 ZINC000875090470 597277292 /nfs/dbraw/zinc/27/72/92/597277292.db2.gz NQBGTMAJZSEFIK-OAHLLOKOSA-N 2 0 349.479 1.015 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000876719200 597303584 /nfs/dbraw/zinc/30/35/84/597303584.db2.gz FZIMJOWGTLHUMU-ZFTGLFDFSA-N 2 0 331.460 1.655 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)/C=C/[C@@H]2CCC[NH2+]C2)cc1 ZINC000876719702 597303878 /nfs/dbraw/zinc/30/38/78/597303878.db2.gz SNPMXPWMKNQSJQ-JCVNQNCUSA-N 2 0 331.460 1.799 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000876729677 597309494 /nfs/dbraw/zinc/30/94/94/597309494.db2.gz UNJZXUHEQQPFHZ-SJORKVTESA-N 2 0 345.491 1.816 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000875211211 597333569 /nfs/dbraw/zinc/33/35/69/597333569.db2.gz OWLAOXGDOIGOOM-IAGOWNOFSA-N 3 0 341.544 1.098 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876774829 597335901 /nfs/dbraw/zinc/33/59/01/597335901.db2.gz IGANPGDVFGAYJU-JKSUJKDBSA-N 2 0 341.471 1.333 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876781376 597339078 /nfs/dbraw/zinc/33/90/78/597339078.db2.gz GWAGRCOYCRHGBK-WLMCBFPDSA-N 2 0 343.475 1.005 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1 ZINC000876840084 597354975 /nfs/dbraw/zinc/35/49/75/597354975.db2.gz IOTUWMABWWMHJG-RCCFBDPRSA-N 2 0 325.412 1.648 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876881791 597368651 /nfs/dbraw/zinc/36/86/51/597368651.db2.gz PMQKGTKDMJNIAE-MJGOQNOKSA-N 2 0 328.460 1.694 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000876899942 597377354 /nfs/dbraw/zinc/37/73/54/597377354.db2.gz BKBLDYQGADBNMV-GVDBMIGSSA-N 2 0 345.491 1.672 20 0 EDADRP O=C([C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)N1CCC2(CC[NH2+]2)CC1 ZINC000876927804 597387653 /nfs/dbraw/zinc/38/76/53/597387653.db2.gz MNRMTLPSQZOKLL-JKSUJKDBSA-N 2 0 333.863 1.998 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000876927895 597387756 /nfs/dbraw/zinc/38/77/56/597387756.db2.gz ONHUIWWJVHBJCW-UHFFFAOYSA-N 2 0 334.489 1.887 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000876965041 597400007 /nfs/dbraw/zinc/40/00/07/597400007.db2.gz ZHZKBRGFNGHDAB-GNBUJSLZSA-N 2 0 343.471 1.789 20 0 EDADRP CO[C@@H]1CCC[C@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875458517 597437307 /nfs/dbraw/zinc/43/73/07/597437307.db2.gz FEZWSWADYSKJQL-YLFCFFPRSA-N 2 0 340.512 1.182 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)c1csc(CC[NH3+])n1 ZINC000877132842 597439794 /nfs/dbraw/zinc/43/97/94/597439794.db2.gz OPTBDZZEVOLXDY-UHFFFAOYSA-N 2 0 340.493 1.075 20 0 EDADRP C[C@H](CC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC[NH2+]CC1 ZINC000877143423 597442250 /nfs/dbraw/zinc/44/22/50/597442250.db2.gz OKJZPDGWYBXCOH-KBAYOESNSA-N 3 0 338.540 1.210 20 0 EDADRP COCCC(C)(C)CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875490231 597450273 /nfs/dbraw/zinc/45/02/73/597450273.db2.gz AJUYEQYYYOANBJ-HZPDHXFCSA-N 2 0 342.528 1.430 20 0 EDADRP COCCC1(NC(=O)[C@@H](C)N2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000877267819 597483761 /nfs/dbraw/zinc/48/37/61/597483761.db2.gz GIXHLCVOAVSKPX-MRXNPFEDSA-N 2 0 345.487 1.708 20 0 EDADRP COCCC1(NC(=O)C[N@H+](C)CCc2ccccc2)CC[NH2+]CC1 ZINC000877268328 597484073 /nfs/dbraw/zinc/48/40/73/597484073.db2.gz AEPXJADJQSJAJJ-UHFFFAOYSA-N 2 0 333.476 1.436 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1 ZINC000877344302 597496914 /nfs/dbraw/zinc/49/69/14/597496914.db2.gz WSNVLKKVSUGADA-QZTJIDSGSA-N 2 0 327.403 1.699 20 0 EDADRP [NH3+]C[C@H](C(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1)c1ccc(F)cc1 ZINC000877360261 597500826 /nfs/dbraw/zinc/50/08/26/597500826.db2.gz LJIHXHCHLKMWQU-WXHSDQCUSA-N 2 0 333.329 1.464 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)cn1 ZINC000877409171 597511280 /nfs/dbraw/zinc/51/12/80/597511280.db2.gz MYSPFUBTISWDKS-MRXNPFEDSA-N 2 0 333.480 1.487 20 0 EDADRP [NH3+][C@H](C[C@@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)C1CCCC1 ZINC000877445341 597516543 /nfs/dbraw/zinc/51/65/43/597516543.db2.gz PVHUYNOBROJYMO-RMRDIRSESA-N 2 0 335.492 1.369 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCn2cc(Br)cn2)CC1 ZINC000877518941 597529808 /nfs/dbraw/zinc/52/98/08/597529808.db2.gz NOSKMQYHNCFYSC-UHFFFAOYSA-N 2 0 345.285 1.471 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(C(=O)N2CCCC2)cc1 ZINC000877525399 597530656 /nfs/dbraw/zinc/53/06/56/597530656.db2.gz BOGATQNGIVQYLB-UHFFFAOYSA-N 2 0 346.519 1.848 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](Cc3ccc4nccnc4c3)CC2)CC1 ZINC000877746883 597552918 /nfs/dbraw/zinc/55/29/18/597552918.db2.gz LNOCFNSNJRFJSV-UHFFFAOYSA-N 2 0 325.460 1.842 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C[C@@H]2CC(C)(C)OC2(C)C)CC1 ZINC000878196859 597586213 /nfs/dbraw/zinc/58/62/13/597586213.db2.gz BEDFETCHCFUSRJ-JKSUJKDBSA-N 2 0 337.508 1.819 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCOCC2)CC1 ZINC000878364148 597597818 /nfs/dbraw/zinc/59/78/18/597597818.db2.gz CXIPTCQBVNRTDL-HXUWFJFHSA-N 2 0 345.487 1.954 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000878547010 597630292 /nfs/dbraw/zinc/63/02/92/597630292.db2.gz SXPLBSSQIDFVIG-IBGZPJMESA-N 2 0 333.451 2.000 20 0 EDADRP CC(C)C[N@@H+](CC(=O)NC(=O)NC(C)(C)C)CC1CC[NH+](C)CC1 ZINC000879702338 597694737 /nfs/dbraw/zinc/69/47/37/597694737.db2.gz KXQAKOXGBPMCJT-UHFFFAOYSA-N 2 0 340.512 1.911 20 0 EDADRP CC(C)C[N@H+](CCCS(=O)(=O)N(C)C)CC1CC[NH+](C)CC1 ZINC000879702730 597694814 /nfs/dbraw/zinc/69/48/14/597694814.db2.gz WUPIEJGORHEJHR-UHFFFAOYSA-N 2 0 333.542 1.568 20 0 EDADRP CC[C@H](CO)[N@H+](CC(=O)NC1CC[NH+](CC)CC1)Cc1ccccc1 ZINC000879741383 597708586 /nfs/dbraw/zinc/70/85/86/597708586.db2.gz QHASTAABTBGKEW-LJQANCHMSA-N 2 0 347.503 1.860 20 0 EDADRP CC1(C)C[C@@H](C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)C(C)(C)O1 ZINC000883415955 597739328 /nfs/dbraw/zinc/73/93/28/597739328.db2.gz IPXUTBLGVNVNQE-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1CCCC[NH2+]1 ZINC000131776607 597739934 /nfs/dbraw/zinc/73/99/34/597739934.db2.gz LWZMNZBMMPZXBC-MRXNPFEDSA-N 2 0 331.416 1.676 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@@H]3CCC4(CCOCC4)CO3)C2)nn1 ZINC000883431913 597743986 /nfs/dbraw/zinc/74/39/86/597743986.db2.gz GKMQXJXARFUJCE-SJORKVTESA-N 2 0 349.479 1.350 20 0 EDADRP COCC[N@@H+](CC(=O)NC1CCC(C)CC1)CC1CC[NH+](C)CC1 ZINC000879123337 597826248 /nfs/dbraw/zinc/82/62/48/597826248.db2.gz DRVUFQIBWFKSSI-UHFFFAOYSA-N 2 0 339.524 1.972 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2[C@H]1CCC[N@@H+]2C)c1ccccc1 ZINC000880137175 597853736 /nfs/dbraw/zinc/85/37/36/597853736.db2.gz ZCZHNFIYNFXLKV-GUDVDZBRSA-N 2 0 344.503 1.574 20 0 EDADRP CC(=O)Nc1cccc2c1C[N@H+](CCC(=O)N1CCN(C)CC1)CC2 ZINC000879237046 597861031 /nfs/dbraw/zinc/86/10/31/597861031.db2.gz DGALBWBRWQMYJN-UHFFFAOYSA-N 2 0 344.459 1.167 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccnn2CC2CC2)C[C@H]1C[NH+](C)C ZINC000879277734 597874548 /nfs/dbraw/zinc/87/45/48/597874548.db2.gz YOWKWTNGCWGQTP-HZPDHXFCSA-N 2 0 348.495 1.496 20 0 EDADRP C[C@H]1C[N@H+](C[C@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262103 597886182 /nfs/dbraw/zinc/88/61/82/597886182.db2.gz TWLWJODATZAOHD-RDJZCZTQSA-N 2 0 331.416 1.763 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccc(OCC(N)=O)cc2)CCN1c1cc[nH+]cc1 ZINC000880263642 597887000 /nfs/dbraw/zinc/88/70/00/597887000.db2.gz ZITKDOASCOMGAF-HNNXBMFYSA-N 2 0 340.427 1.656 20 0 EDADRP CC(C)(C)OCCC[NH+]1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000880412238 597926615 /nfs/dbraw/zinc/92/66/15/597926615.db2.gz PGZKDQCPFLEQCZ-QGZVFWFLSA-N 2 0 327.513 1.266 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000884022215 597970516 /nfs/dbraw/zinc/97/05/16/597970516.db2.gz AAWRSFMNRVPOLT-MRXNPFEDSA-N 2 0 331.416 1.661 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000884187888 598019283 /nfs/dbraw/zinc/01/92/83/598019283.db2.gz RVZSAJFAHOMWSE-RKVPGOIHSA-N 2 0 333.476 1.754 20 0 EDADRP CN(C(=O)[C@@H]1C[NH2+]CC1(C)C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000884206584 598028348 /nfs/dbraw/zinc/02/83/48/598028348.db2.gz YPZLWFBTVOQYEQ-SFHVURJKSA-N 2 0 344.503 1.793 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3)C[C@@H]2C)CC[N@@H+]1C ZINC000884206274 598028499 /nfs/dbraw/zinc/02/84/99/598028499.db2.gz QMKWLTQDUSRNLG-PMPSAXMXSA-N 2 0 331.464 1.784 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CCOCC1 ZINC000884218960 598032832 /nfs/dbraw/zinc/03/28/32/598032832.db2.gz DFFHDSQGLACRSI-MRXNPFEDSA-N 2 0 344.459 1.265 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000884223580 598034985 /nfs/dbraw/zinc/03/49/85/598034985.db2.gz TZZZEHVKHJMFOF-ZBFHGGJFSA-N 2 0 325.497 1.613 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)[C@H]([NH3+])CCOC)[C@H](C)C1 ZINC000884326997 598068743 /nfs/dbraw/zinc/06/87/43/598068743.db2.gz GPTRHGAASCRZLI-NVXWUHKLSA-N 2 0 349.475 1.482 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[N@@H+]1C ZINC000914191666 695267410 /nfs/dbraw/zinc/26/74/10/695267410.db2.gz BVGYNWGEHIRWGO-LSDHHAIUSA-N 2 0 340.537 1.740 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)C[NH+]1CCCC1 ZINC000914243413 695303059 /nfs/dbraw/zinc/30/30/59/695303059.db2.gz KXXAFJCQTOQGSI-OAGGEKHMSA-N 2 0 340.537 1.597 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@@H]3C2)CC1 ZINC000992850162 695406817 /nfs/dbraw/zinc/40/68/17/695406817.db2.gz BMMQANWFCOKFJZ-GVDBMIGSSA-N 2 0 325.472 1.905 20 0 EDADRP C[C@H]1[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CCC1CC1 ZINC000993370279 696021046 /nfs/dbraw/zinc/02/10/46/696021046.db2.gz WIULZGKZIQAKOV-RDJZCZTQSA-N 2 0 347.507 1.828 20 0 EDADRP C[C@H]1[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@@H+]1CCO ZINC000993628543 696291801 /nfs/dbraw/zinc/29/18/01/696291801.db2.gz HSCHUBDQZQRUGK-MAUKXSAKSA-N 2 0 333.476 1.366 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCCN1Cc1ccnn1C ZINC000993686581 696309217 /nfs/dbraw/zinc/30/92/17/696309217.db2.gz WMEYRTHEAGUMLQ-DOTOQJQBSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993737037 696340305 /nfs/dbraw/zinc/34/03/05/696340305.db2.gz BGAIMKONGRRJLC-MAUKXSAKSA-N 2 0 347.507 1.539 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)c2ccccc2C[NH+](C)C)CCC[N@@H+]1CCCO ZINC000994482942 696923314 /nfs/dbraw/zinc/92/33/14/696923314.db2.gz FUSDULCCQNPWCZ-QAPCUYQASA-N 2 0 333.476 1.713 20 0 EDADRP Cc1ccccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000940024315 700122696 /nfs/dbraw/zinc/12/26/96/700122696.db2.gz FRVOAGGFRHLRCA-GOSISDBHSA-N 2 0 345.487 1.796 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)CC2CC[NH+](C)CC2)CC1 ZINC000154791501 697200002 /nfs/dbraw/zinc/20/00/02/697200002.db2.gz FTUUUTXJYUHDEB-UHFFFAOYSA-N 2 0 339.480 1.062 20 0 EDADRP C[NH+]1CCN(C[C@H](N[C@@H]2C[C@H]([NH3+])C23CCC3)c2ccccc2)CC1 ZINC000925475101 697373430 /nfs/dbraw/zinc/37/34/30/697373430.db2.gz FHMUHEYOYWRQNP-GBESFXJTSA-N 2 0 328.504 1.835 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CCC(C)([NH+]2CCC2)CC1 ZINC000920421003 697429008 /nfs/dbraw/zinc/42/90/08/697429008.db2.gz GODMCXDFMLCVSP-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP Cc1noc(CCC[NH+]2CC(CNC(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)n1 ZINC001031665693 697446092 /nfs/dbraw/zinc/44/60/92/697446092.db2.gz DXAJILHMRRDAJA-INIZCTEOSA-N 2 0 349.479 1.231 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCC[C@H]2CCOC2)C1 ZINC001031667033 697448113 /nfs/dbraw/zinc/44/81/13/697448113.db2.gz WGJMJJPJILVSQT-FUHWJXTLSA-N 2 0 337.508 1.724 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669339 697464408 /nfs/dbraw/zinc/46/44/08/697464408.db2.gz IALLTGSEESALSG-RTBURBONSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H](O)c2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675463 697485735 /nfs/dbraw/zinc/48/57/35/697485735.db2.gz JAEQHMUSOFRTDZ-RTBURBONSA-N 2 0 343.471 1.110 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC[C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001031686998 697518289 /nfs/dbraw/zinc/51/82/89/697518289.db2.gz XLGUBXLCGOUZAS-BPQIPLTHSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2nc(CN(C)C)cs2)C[N@@H+]1C1CC1 ZINC000921382663 697581285 /nfs/dbraw/zinc/58/12/85/697581285.db2.gz HMNHROUJQUZPJR-RYUDHWBXSA-N 2 0 337.493 1.629 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921426735 697603341 /nfs/dbraw/zinc/60/33/41/697603341.db2.gz JSFJOTCLSCHAPJ-HOTGVXAUSA-N 2 0 328.501 1.230 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1CN(Cc2c(C)noc2CC)C1 ZINC001031715038 697738416 /nfs/dbraw/zinc/73/84/16/697738416.db2.gz PDRFTEWQGOPAJX-QGZVFWFLSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1ncc(CN2CC(CNC(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)cn1 ZINC001031729190 698082513 /nfs/dbraw/zinc/08/25/13/698082513.db2.gz HMLWKFWHNQPRKK-GOSISDBHSA-N 2 0 345.491 1.311 20 0 EDADRP CCCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516278 698430763 /nfs/dbraw/zinc/43/07/63/698430763.db2.gz KTDZSGNFXBISRP-WBVHZDCISA-N 2 0 335.496 1.685 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CCc3cnn(C)c3)C2)CC1 ZINC001032095340 698650993 /nfs/dbraw/zinc/65/09/93/698650993.db2.gz XHDNZHWFJVIMFM-UHFFFAOYSA-N 2 0 347.507 1.131 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000947881849 699013734 /nfs/dbraw/zinc/01/37/34/699013734.db2.gz KBRGPADWPIUEDA-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1C ZINC000939129362 699208628 /nfs/dbraw/zinc/20/86/28/699208628.db2.gz WDOCKERCWYIDTJ-JKSUJKDBSA-N 2 0 347.507 1.571 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1ccns1 ZINC000939138260 699217536 /nfs/dbraw/zinc/21/75/36/699217536.db2.gz VEAANBDRQPGVDI-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1)OC ZINC001031800486 699318519 /nfs/dbraw/zinc/31/85/19/699318519.db2.gz UFFAAXIVICZANH-MRXNPFEDSA-N 2 0 330.432 1.729 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]CCn1cccn1 ZINC000939246841 699416373 /nfs/dbraw/zinc/41/63/73/699416373.db2.gz KOXFJKCZJHNRTF-RDJZCZTQSA-N 2 0 333.480 1.052 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939256078 699448494 /nfs/dbraw/zinc/44/84/94/699448494.db2.gz AEOVMHZVQBLRDK-RDTXWAMCSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939398896 699547926 /nfs/dbraw/zinc/54/79/26/699547926.db2.gz SRXWTKGPAZVBDI-HOTGVXAUSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1ccnn1C ZINC000939549751 699682467 /nfs/dbraw/zinc/68/24/67/699682467.db2.gz CJQAFSMJVZXNMK-CZUORRHYSA-N 2 0 342.447 1.131 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000939543391 699684495 /nfs/dbraw/zinc/68/44/95/699684495.db2.gz CKCICVMNRPOGOZ-BBRMVZONSA-N 2 0 332.423 1.253 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)s1 ZINC000939545692 699687959 /nfs/dbraw/zinc/68/79/59/699687959.db2.gz OMYJTWAXYKIDPZ-SWLSCSKDSA-N 2 0 348.516 1.792 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)c(C)s1 ZINC000939546952 699689143 /nfs/dbraw/zinc/68/91/43/699689143.db2.gz UTQUEBLJIIGKRI-LRDDRELGSA-N 2 0 348.516 1.792 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1F ZINC000939756571 699923017 /nfs/dbraw/zinc/92/30/17/699923017.db2.gz VINGHSRBHJZYHC-PBHICJAKSA-N 2 0 349.450 1.867 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939809773 699958052 /nfs/dbraw/zinc/95/80/52/699958052.db2.gz JLGSFDVZHARVNR-NVXWUHKLSA-N 2 0 333.480 1.233 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000940176837 700309773 /nfs/dbraw/zinc/30/97/73/700309773.db2.gz QZQWFMTZTUYZPV-HOTGVXAUSA-N 2 0 347.463 1.557 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC000940178047 700311431 /nfs/dbraw/zinc/31/14/31/700311431.db2.gz AOOXJQMQUQTSCE-KRWDZBQOSA-N 2 0 347.507 1.684 20 0 EDADRP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219404 700381189 /nfs/dbraw/zinc/38/11/89/700381189.db2.gz KDKJRIFNQLIPKO-GNZRSQJKSA-N 2 0 347.503 1.620 20 0 EDADRP Cn1cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)C2)nn1 ZINC000995055725 700423410 /nfs/dbraw/zinc/42/34/10/700423410.db2.gz PQQROMBQIQFIPL-GJZGRUSLSA-N 2 0 348.495 1.064 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)[NH+](C)C ZINC000940305490 700487877 /nfs/dbraw/zinc/48/78/77/700487877.db2.gz CSEHTAUEUBKVNX-CQSZACIVSA-N 2 0 339.509 1.595 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327659 700504764 /nfs/dbraw/zinc/50/47/64/700504764.db2.gz MXWUWLBYTAEYJS-GDBMZVCRSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1 ZINC000940327711 700504805 /nfs/dbraw/zinc/50/48/05/700504805.db2.gz OZTAFBSMVGRVBT-NVXWUHKLSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000940328032 700505770 /nfs/dbraw/zinc/50/57/70/700505770.db2.gz CWBALBPNMIIGKR-HNNXBMFYSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940329502 700509118 /nfs/dbraw/zinc/50/91/18/700509118.db2.gz UTYMLQLFZVOXJJ-SJORKVTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)co1 ZINC000940426074 700619529 /nfs/dbraw/zinc/61/95/29/700619529.db2.gz DWBNMCKRWSFBAX-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426264 700620124 /nfs/dbraw/zinc/62/01/24/700620124.db2.gz MHRKTSMHXBANRA-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3ccccn3)CC2)C1 ZINC000940426740 700620978 /nfs/dbraw/zinc/62/09/78/700620978.db2.gz ZVRGYSBDGWXDCS-MRXNPFEDSA-N 2 0 330.476 1.894 20 0 EDADRP O=C(N[C@@H]1CC[C@@H](C[NH2+]Cc2ccccn2)C1)C12CC[NH+](CC1)C2 ZINC000995168192 701658881 /nfs/dbraw/zinc/65/88/81/701658881.db2.gz NBURNGMCEYSOQN-HZPDHXFCSA-N 2 0 328.460 1.552 20 0 EDADRP Cn1cncc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995077478 700660680 /nfs/dbraw/zinc/66/06/80/700660680.db2.gz HFJQRRYYEDQBFN-GDBMZVCRSA-N 2 0 333.480 1.136 20 0 EDADRP COc1ncccc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000940462029 700665478 /nfs/dbraw/zinc/66/54/78/700665478.db2.gz XKAYEWMPFISOAI-UHFFFAOYSA-N 2 0 346.475 1.657 20 0 EDADRP Cc1ncc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)o1 ZINC000940625094 700786705 /nfs/dbraw/zinc/78/67/05/700786705.db2.gz OSUIHQZUWVABHP-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccn2c[nH+]cc2c1 ZINC000940868276 700949313 /nfs/dbraw/zinc/94/93/13/700949313.db2.gz ZERRBINGJRIXBR-INIZCTEOSA-N 2 0 330.432 1.547 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C(C)(C)C1 ZINC000940901851 700976914 /nfs/dbraw/zinc/97/69/14/700976914.db2.gz RFLNYDQTBLILJE-RXCRORICSA-N 2 0 349.519 1.722 20 0 EDADRP CC(C)N1CCO[C@H](C(=O)N[C@@H]2CC[N@@H+](C(C)C)CC2(C)C)C1 ZINC000940973442 701015454 /nfs/dbraw/zinc/01/54/54/701015454.db2.gz VDZKQBKJJTYTGM-JKSUJKDBSA-N 2 0 325.497 1.721 20 0 EDADRP Cc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C(C)C)CCO3)C2)c1 ZINC001031920312 701057595 /nfs/dbraw/zinc/05/75/95/701057595.db2.gz ZFFCVVZAXQBEIU-IBGZPJMESA-N 2 0 345.487 1.652 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941027494 701067270 /nfs/dbraw/zinc/06/72/70/701067270.db2.gz GQVYIUIUORBHGW-HNNXBMFYSA-N 2 0 325.497 1.581 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C(C)(C)C1 ZINC000941091531 701135368 /nfs/dbraw/zinc/13/53/68/701135368.db2.gz VYRSXQAAMAERDM-INIZCTEOSA-N 2 0 335.496 1.685 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2ccc(F)cn2)C1)C12CC[NH+](CC1)C2 ZINC000995171174 701693586 /nfs/dbraw/zinc/69/35/86/701693586.db2.gz YVRAAYFFSWLWQZ-GOEBONIOSA-N 2 0 346.450 1.691 20 0 EDADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217644 701404145 /nfs/dbraw/zinc/40/41/45/701404145.db2.gz RJUMULCUEGLWKE-NVXWUHKLSA-N 2 0 347.507 1.131 20 0 EDADRP CC1(C)C[N@H+](CC[C@H]2CCCO2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221233 701411739 /nfs/dbraw/zinc/41/17/39/701411739.db2.gz NWRBTQHSZLYAQG-SJORKVTESA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999170705 706600263 /nfs/dbraw/zinc/60/02/63/706600263.db2.gz RKVVWABCEZIERF-SJORKVTESA-N 2 0 332.448 1.405 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C(C)(C)C1 ZINC000941236823 701427581 /nfs/dbraw/zinc/42/75/81/701427581.db2.gz BCKBPWOSTSVPKC-QAPCUYQASA-N 2 0 347.503 1.959 20 0 EDADRP CC(C)(C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1)[NH+]1CCCCC1 ZINC000941411085 701527409 /nfs/dbraw/zinc/52/74/09/701527409.db2.gz VDPGCKIPLIUHIR-UHFFFAOYSA-N 2 0 348.535 1.489 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941431829 701538261 /nfs/dbraw/zinc/53/82/61/701538261.db2.gz UTMOMSRYLWTUHZ-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189039 706630824 /nfs/dbraw/zinc/63/08/24/706630824.db2.gz GOPAUCVBFHVKPB-FGTMMUONSA-N 2 0 347.507 1.421 20 0 EDADRP Cc1ccnc(CN[C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2(C)C)n1 ZINC000995823386 702093404 /nfs/dbraw/zinc/09/34/04/702093404.db2.gz FZYWQCGXVRQCJB-BZUAXINKSA-N 2 0 345.491 1.452 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@H]1[NH2+]Cc1ccccn1 ZINC000995823140 702093435 /nfs/dbraw/zinc/09/34/35/702093435.db2.gz LACIVEULNNFINW-QZTJIDSGSA-N 2 0 342.487 1.750 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2nccn2C)C(C)(C)C1 ZINC000995878069 702184285 /nfs/dbraw/zinc/18/42/85/702184285.db2.gz DBOPYJFHUDSVDR-HZPDHXFCSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cnc(CN[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)o1 ZINC000995891817 702190422 /nfs/dbraw/zinc/19/04/22/702190422.db2.gz DMWOKZHOHGCERS-AWEZNQCLSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)ncn1 ZINC000995883588 702217448 /nfs/dbraw/zinc/21/74/48/702217448.db2.gz CMYOAYOFLPQXCB-INIZCTEOSA-N 2 0 345.491 1.596 20 0 EDADRP C[C@@H]([NH2+][C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C)c1cnccn1 ZINC000995915951 702276697 /nfs/dbraw/zinc/27/66/97/702276697.db2.gz HOFBLACCVAPQSU-PBHICJAKSA-N 2 0 345.491 1.849 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]Cc2cnns2)C(C)(C)C1 ZINC000995973035 702357519 /nfs/dbraw/zinc/35/75/19/702357519.db2.gz FQZAHLIQWNGPIP-UONOGXRCSA-N 2 0 337.493 1.349 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)on1 ZINC000944155310 702448755 /nfs/dbraw/zinc/44/87/55/702448755.db2.gz MFZNIFYNFVVDCL-BBRMVZONSA-N 2 0 332.448 1.405 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)C[C@H]1[NH2+]CC1CC1 ZINC000996072562 702484309 /nfs/dbraw/zinc/48/43/09/702484309.db2.gz QEZARLBCSBPTOD-BWRBCVJASA-N 2 0 333.476 1.086 20 0 EDADRP C[C@H]1C[N@H+](CC2CC2)CC[C@H]1NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000942057917 702508316 /nfs/dbraw/zinc/50/83/16/702508316.db2.gz QUOQJBGNYSXURS-GOEBONIOSA-N 2 0 333.480 1.295 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC2(C)C)n1 ZINC000996134683 702563972 /nfs/dbraw/zinc/56/39/72/702563972.db2.gz KYYZBQFELHLWIE-INIZCTEOSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)CC1 ZINC000996221859 702632500 /nfs/dbraw/zinc/63/25/00/702632500.db2.gz KFGQFDAMCLKHOE-INIZCTEOSA-N 2 0 333.480 1.052 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000996299977 702691096 /nfs/dbraw/zinc/69/10/96/702691096.db2.gz HWRMZMLIUATSMW-CRAIPNDOSA-N 2 0 347.503 1.612 20 0 EDADRP Cc1ccncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213191 702704054 /nfs/dbraw/zinc/70/40/54/702704054.db2.gz PZXFJTSDKHRWHH-FUHWJXTLSA-N 2 0 330.476 1.860 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)[nH]1 ZINC000996500595 702839673 /nfs/dbraw/zinc/83/96/73/702839673.db2.gz HBLDKQOFWNQBRG-HOCLYGCPSA-N 2 0 346.479 1.068 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000996500560 702839695 /nfs/dbraw/zinc/83/96/95/702839695.db2.gz GSYUNDIQUHTLPF-CRAIPNDOSA-N 2 0 346.475 1.938 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CC[C@H]1CCCCO1 ZINC000996518206 702853955 /nfs/dbraw/zinc/85/39/55/702853955.db2.gz CUWKBXNWWCSEIV-IAGOWNOFSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000996559195 702873171 /nfs/dbraw/zinc/87/31/71/702873171.db2.gz CERGXDDNTPMTNH-SFHVURJKSA-N 2 0 343.475 1.207 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996607602 702911208 /nfs/dbraw/zinc/91/12/08/702911208.db2.gz CZFKPJTWDMYLHJ-BBRMVZONSA-N 2 0 334.464 1.515 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cncn3C)CC2)CC[N@@H+]1C ZINC000996605037 702914480 /nfs/dbraw/zinc/91/44/80/702914480.db2.gz YBZRRQFEUPFKIG-DLBZAZTESA-N 2 0 333.480 1.231 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cncc(F)c1 ZINC000996611350 702916560 /nfs/dbraw/zinc/91/65/60/702916560.db2.gz MKUBPONZUBKTNV-INIZCTEOSA-N 2 0 334.439 1.643 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2conc2C)CC1 ZINC000996644248 702946765 /nfs/dbraw/zinc/94/67/65/702946765.db2.gz IGBYKENVGYNLFW-KRWDZBQOSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000996661623 702959232 /nfs/dbraw/zinc/95/92/32/702959232.db2.gz MKQSVURBZTZBIX-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996679041 702977746 /nfs/dbraw/zinc/97/77/46/702977746.db2.gz POZKRBSASKINLS-GOSISDBHSA-N 2 0 347.507 1.366 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996681295 702979797 /nfs/dbraw/zinc/97/97/97/702979797.db2.gz YZNNHPBXXXRBJK-GOSISDBHSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC000996688378 702985458 /nfs/dbraw/zinc/98/54/58/702985458.db2.gz IIQSGLJUMOUVAO-DOTOQJQBSA-N 2 0 345.491 1.993 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)c1 ZINC000996689062 702986388 /nfs/dbraw/zinc/98/63/88/702986388.db2.gz RMTFOICPASMCIQ-SFHVURJKSA-N 2 0 348.491 1.757 20 0 EDADRP COc1cncc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996695448 702991979 /nfs/dbraw/zinc/99/19/79/702991979.db2.gz LERJPSVBBLGCJJ-KRWDZBQOSA-N 2 0 349.479 1.152 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+](C(C)C)CCO1 ZINC000355117870 703004744 /nfs/dbraw/zinc/00/47/44/703004744.db2.gz JUFYFMNALFLZPL-IRXDYDNUSA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1)[NH+](C)C ZINC000996713476 703008537 /nfs/dbraw/zinc/00/85/37/703008537.db2.gz VJFCIKIHKISJKL-DLBZAZTESA-N 2 0 325.497 1.866 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC000996713445 703008651 /nfs/dbraw/zinc/00/86/51/703008651.db2.gz VCPKRTOLLOJUGG-BDVYOWHSSA-N 2 0 325.497 1.722 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)no1 ZINC000996719936 703013831 /nfs/dbraw/zinc/01/38/31/703013831.db2.gz DOJKSSVGSHOPGR-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000996725977 703020169 /nfs/dbraw/zinc/02/01/69/703020169.db2.gz UPCGNHWKVUYEJL-HNNXBMFYSA-N 2 0 346.479 1.247 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H]2CCCCO2)C1 ZINC001032027414 703049456 /nfs/dbraw/zinc/04/94/56/703049456.db2.gz RCCBABXMYPOXNU-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2ccn(C)n2)CC1 ZINC000996766270 703057582 /nfs/dbraw/zinc/05/75/82/703057582.db2.gz ZQYBINVZKXHOQP-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1cnccn1 ZINC000996769419 703060589 /nfs/dbraw/zinc/06/05/89/703060589.db2.gz FXIQDFUMALARSL-HNNXBMFYSA-N 2 0 343.475 1.747 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3ncccn3)CC2)C1 ZINC000996904626 703176571 /nfs/dbraw/zinc/17/65/71/703176571.db2.gz NOBJLESGQOFOPR-MRXNPFEDSA-N 2 0 345.491 1.679 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nncn3C)CC2)C1 ZINC000996904038 703178520 /nfs/dbraw/zinc/17/85/20/703178520.db2.gz LYSHAPVRFLDZJR-HNNXBMFYSA-N 2 0 348.495 1.018 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]CC3CCOCC3)CC2)CC[N@@H+]1C ZINC000996921060 703192125 /nfs/dbraw/zinc/19/21/25/703192125.db2.gz IMCDKAVTPPBAJG-RDJZCZTQSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996946917 703216565 /nfs/dbraw/zinc/21/65/65/703216565.db2.gz QFWROAXQBBJAOL-UHFFFAOYSA-N 2 0 334.464 1.659 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)[nH]1 ZINC000996951597 703222343 /nfs/dbraw/zinc/22/23/43/703222343.db2.gz HCDVLIXIPMSTIW-CYBMUJFWSA-N 2 0 348.495 1.351 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)c(C)o1 ZINC000996966801 703226613 /nfs/dbraw/zinc/22/66/13/703226613.db2.gz VEDZYKACSWMYGM-QGZVFWFLSA-N 2 0 336.480 1.958 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996977412 703242117 /nfs/dbraw/zinc/24/21/17/703242117.db2.gz ILFCSLOVSDDGHW-RDTXWAMCSA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]C[C@H]3C[C@@]34CCOC4)CC2)C1 ZINC000996996925 703260596 /nfs/dbraw/zinc/26/05/96/703260596.db2.gz BSIGXCICCPUBIF-OXQOHEQNSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)[nH]1 ZINC000997004151 703261290 /nfs/dbraw/zinc/26/12/90/703261290.db2.gz BVDMOTSMJYBWTC-HIFRSBDPSA-N 2 0 348.495 1.206 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005494 703262835 /nfs/dbraw/zinc/26/28/35/703262835.db2.gz DSXNARXWUBFCCO-RHSMWYFYSA-N 2 0 333.480 1.181 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997005486 703262852 /nfs/dbraw/zinc/26/28/52/703262852.db2.gz DSXNARXWUBFCCO-PBHICJAKSA-N 2 0 333.480 1.181 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997006554 703263971 /nfs/dbraw/zinc/26/39/71/703263971.db2.gz MTUZTDXCRZDHLQ-AWEZNQCLSA-N 2 0 331.464 1.207 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC000997007835 703265261 /nfs/dbraw/zinc/26/52/61/703265261.db2.gz JSDJSNXWKHCODF-DNVCBOLYSA-N 2 0 345.487 1.974 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997009114 703269732 /nfs/dbraw/zinc/26/97/32/703269732.db2.gz OTDCDTWFYHGGLQ-BBRMVZONSA-N 2 0 336.505 1.464 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]CCc2csc(C)n2)CC1)[NH+](C)C ZINC000997011246 703271371 /nfs/dbraw/zinc/27/13/71/703271371.db2.gz XIKGBRQMNZWYKF-INIZCTEOSA-N 2 0 338.521 1.915 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)oc1C ZINC000997013183 703272819 /nfs/dbraw/zinc/27/28/19/703272819.db2.gz ZAJIJWPUBAPPFO-BLLLJJGKSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccnn2C)CC[C@@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942820808 703329187 /nfs/dbraw/zinc/32/91/87/703329187.db2.gz AGLNQNJBKQIQAW-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921531674 703392011 /nfs/dbraw/zinc/39/20/11/703392011.db2.gz ZTVHYJAHSFMKLQ-NSHDSACASA-N 2 0 330.274 1.288 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000921531672 703392130 /nfs/dbraw/zinc/39/21/30/703392130.db2.gz ZTVHYJAHSFMKLQ-LLVKDONJSA-N 2 0 330.274 1.288 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]CC2CCOCC2)CC1 ZINC000997186434 703475450 /nfs/dbraw/zinc/47/54/50/703475450.db2.gz MTGJWRAWDLZGHL-UHFFFAOYSA-N 2 0 346.475 1.768 20 0 EDADRP CC[C@H](C[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1)OC ZINC000997290009 703551033 /nfs/dbraw/zinc/55/10/33/703551033.db2.gz REEUSWMPSVOIRF-CRAIPNDOSA-N 2 0 339.524 1.970 20 0 EDADRP CC(C)c1cnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000997307048 703565416 /nfs/dbraw/zinc/56/54/16/703565416.db2.gz MKQWSSBYUYSHTG-UHFFFAOYSA-N 2 0 334.464 1.974 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997362665 703596692 /nfs/dbraw/zinc/59/66/92/703596692.db2.gz BAPDLZPFSBKLTJ-KRWDZBQOSA-N 2 0 347.507 1.858 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032433092 703602222 /nfs/dbraw/zinc/60/22/22/703602222.db2.gz JGLWJDRPWLVIJS-OKZBNKHCSA-N 2 0 335.492 1.573 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2cncn2C)CC1)[NH+]1CCCC1 ZINC000997368171 703604927 /nfs/dbraw/zinc/60/49/27/703604927.db2.gz ABGUIGKAQXXKAQ-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1)C[NH+](C)C ZINC000921565725 703605926 /nfs/dbraw/zinc/60/59/26/703605926.db2.gz PIVGLUHBMXRIIK-SJORKVTESA-N 2 0 342.528 1.620 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000997368241 703606365 /nfs/dbraw/zinc/60/63/65/703606365.db2.gz DOCRXXPLAUMQAF-WBVHZDCISA-N 2 0 325.497 1.458 20 0 EDADRP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C1CC[NH+](C[C@H](C)O)CC1 ZINC000997395966 703660299 /nfs/dbraw/zinc/66/02/99/703660299.db2.gz NGEUYWRPAGGVQX-UONOGXRCSA-N 2 0 334.464 1.359 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccns2)CC1 ZINC000997422785 703671379 /nfs/dbraw/zinc/67/13/79/703671379.db2.gz ZCVVWFWXHMAPGD-UKRRQHHQSA-N 2 0 336.505 1.812 20 0 EDADRP CC[C@@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C12CCC[NH+](CCC1)C2)OC ZINC001032472454 703685768 /nfs/dbraw/zinc/68/57/68/703685768.db2.gz UCHJHZCEMPGTHS-ULQDDVLXSA-N 2 0 335.492 1.573 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1CN2CCc1ccccc1F)[NH+](C)C ZINC001032474670 703693691 /nfs/dbraw/zinc/69/36/91/703693691.db2.gz HXUVNKBJLFQNBN-XYJFISCASA-N 2 0 333.451 1.994 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2ccc(CO)cc2)C(C)(C)C1 ZINC000995550085 703929520 /nfs/dbraw/zinc/92/95/20/703929520.db2.gz HSZUVDZKCKMNFB-ROUUACIJSA-N 2 0 345.487 1.600 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549831 703933708 /nfs/dbraw/zinc/93/37/08/703933708.db2.gz FYDYXONCTVYVJE-SJORKVTESA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)ncn1 ZINC000995550935 703954751 /nfs/dbraw/zinc/95/47/51/703954751.db2.gz KRMVTUUAZWKIPA-HZPDHXFCSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995551363 703956665 /nfs/dbraw/zinc/95/66/65/703956665.db2.gz MHGNYBIBQFVDHB-CABCVRRESA-N 2 0 336.505 1.872 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1CC[NH+](CCO)CC1 ZINC000997652762 703967919 /nfs/dbraw/zinc/96/79/19/703967919.db2.gz FFGKWBIBILFUGO-DOTOQJQBSA-N 2 0 325.497 1.316 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555535 703975442 /nfs/dbraw/zinc/97/54/42/703975442.db2.gz ZYUVCQDMFLEXCM-IAGOWNOFSA-N 2 0 348.491 1.966 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)C1 ZINC000999288797 706783016 /nfs/dbraw/zinc/78/30/16/706783016.db2.gz ALVFDJPQPXBDNF-HJOIGYKYSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082182 704137957 /nfs/dbraw/zinc/13/79/57/704137957.db2.gz OUIIFDCNDODQNN-RBUKOAKNSA-N 2 0 342.487 1.765 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CC[C@H]3C[NH+](C[C@@H]4CCOC4)C[C@H]3CC2)CC[N@@H+]1C ZINC000946595145 704271037 /nfs/dbraw/zinc/27/10/37/704271037.db2.gz KKMJJMNIJRMROY-MTHXSQLBSA-N 2 0 349.519 1.534 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999302556 706806043 /nfs/dbraw/zinc/80/60/43/706806043.db2.gz HWKRLDNBURLOBQ-IQAUEXFUSA-N 2 0 334.464 1.792 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000999302923 706806389 /nfs/dbraw/zinc/80/63/89/706806389.db2.gz GSODRPCPZREKPV-DOTOQJQBSA-N 2 0 333.480 1.375 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCF)CC1)C1CC1 ZINC001004455862 704449343 /nfs/dbraw/zinc/44/93/43/704449343.db2.gz BJSRGTKQSNNPQC-IRXDYDNUSA-N 2 0 325.472 1.999 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000997708070 704599372 /nfs/dbraw/zinc/59/93/72/704599372.db2.gz LSUJPFMTKACLCU-RLFYNMQTSA-N 2 0 345.491 1.849 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997779628 704681641 /nfs/dbraw/zinc/68/16/41/704681641.db2.gz FFEFLXMEWUMHPA-WMZOPIPTSA-N 2 0 346.475 1.877 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)cn1 ZINC000997783525 704693724 /nfs/dbraw/zinc/69/37/24/704693724.db2.gz GJLOMMCXTGXILG-SFHVURJKSA-N 2 0 345.491 1.090 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000997821451 704741386 /nfs/dbraw/zinc/74/13/86/704741386.db2.gz LGGZTQMVVGOXRD-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)O1 ZINC000997822478 704742198 /nfs/dbraw/zinc/74/21/98/704742198.db2.gz FECRYGWPZOYYPB-DOTOQJQBSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000997858445 704768029 /nfs/dbraw/zinc/76/80/29/704768029.db2.gz FKFKGKAIOPLQMW-GOSISDBHSA-N 2 0 349.519 1.727 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)o1 ZINC000944918680 704769918 /nfs/dbraw/zinc/76/99/18/704769918.db2.gz LINFCPKVKKXVJP-XJKSGUPXSA-N 2 0 334.464 1.714 20 0 EDADRP CCn1ccc(CN2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)n1 ZINC000944946673 704799766 /nfs/dbraw/zinc/79/97/66/704799766.db2.gz YDXFTYJVEGWUSC-RDJZCZTQSA-N 2 0 333.480 1.325 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998078999 705292078 /nfs/dbraw/zinc/29/20/78/705292078.db2.gz NUMIRNQFXVYTGB-XJKSGUPXSA-N 2 0 336.505 1.669 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cncc(F)c3)CC2)C1 ZINC000998081207 705301464 /nfs/dbraw/zinc/30/14/64/705301464.db2.gz GVHIKNBLLQJNRJ-HNNXBMFYSA-N 2 0 348.466 1.891 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998081306 705301914 /nfs/dbraw/zinc/30/19/14/705301914.db2.gz ISHCBBUOCXOUKB-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000998079533 705303584 /nfs/dbraw/zinc/30/35/84/705303584.db2.gz QRXYSMVFIQCWRL-GUYCJALGSA-N 2 0 348.491 1.817 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000998080552 705305964 /nfs/dbraw/zinc/30/59/64/705305964.db2.gz DGGHEUSLJDZPML-INIZCTEOSA-N 2 0 347.507 1.716 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000998080470 705306033 /nfs/dbraw/zinc/30/60/33/705306033.db2.gz ALUYWZNZUQDAEK-UONOGXRCSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1ccncc1C[NH2+]CC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998082128 705308755 /nfs/dbraw/zinc/30/87/55/705308755.db2.gz NRATUYWIPSOBGQ-LPHOPBHVSA-N 2 0 344.503 1.916 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1 ZINC000998082989 705310802 /nfs/dbraw/zinc/31/08/02/705310802.db2.gz SINQYQVXJQLBGC-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)[NH+](C)C ZINC000998086243 705318384 /nfs/dbraw/zinc/31/83/84/705318384.db2.gz OQURDCGOAKKEFT-AWEZNQCLSA-N 2 0 325.482 1.207 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CCC[N@H+](CCCO)CC1 ZINC000998097294 705322440 /nfs/dbraw/zinc/32/24/40/705322440.db2.gz BUSQISSCDUPJJE-SJORKVTESA-N 2 0 325.497 1.556 20 0 EDADRP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000998145090 705415443 /nfs/dbraw/zinc/41/54/43/705415443.db2.gz DDJUFYRLUDEFQB-IRXDYDNUSA-N 2 0 347.463 1.415 20 0 EDADRP [NH2+]=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N[C@@H]1CCOc2ccccc21 ZINC000083034748 705527291 /nfs/dbraw/zinc/52/72/91/705527291.db2.gz KOVFGAADYGGZNF-IIAWOOMASA-N 2 0 330.432 1.278 20 0 EDADRP Cc1noc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998263960 705634347 /nfs/dbraw/zinc/63/43/47/705634347.db2.gz DIGOINSNGXLHMO-INIZCTEOSA-N 2 0 334.464 1.571 20 0 EDADRP CCc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998265945 705637183 /nfs/dbraw/zinc/63/71/83/705637183.db2.gz NHEJKACZQRZMFN-HIFRSBDPSA-N 2 0 349.479 1.473 20 0 EDADRP Cc1ncsc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998269262 705643922 /nfs/dbraw/zinc/64/39/22/705643922.db2.gz LJOMORDPBBQZSP-UHFFFAOYSA-N 2 0 336.505 1.876 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C[NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000998274101 705654698 /nfs/dbraw/zinc/65/46/98/705654698.db2.gz RATLMLCOOJAAAK-INIZCTEOSA-N 2 0 346.475 1.832 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccncc2Cl)C1 ZINC000998721121 706148396 /nfs/dbraw/zinc/14/83/96/706148396.db2.gz LOPPFIYTIVHGTL-HOCLYGCPSA-N 2 0 336.867 1.910 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c(C)o1 ZINC000998780366 706221670 /nfs/dbraw/zinc/22/16/70/706221670.db2.gz NUNXSXXPUVJTMN-JCYILVPMSA-N 2 0 346.475 1.712 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnnn2CC)C1 ZINC000998865004 706294770 /nfs/dbraw/zinc/29/47/70/706294770.db2.gz DSEULTUZUVDPFK-DQPZFDDXSA-N 2 0 348.495 1.251 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@@H+](CC(C)C)C3)C2)[nH]1 ZINC000998902454 706339119 /nfs/dbraw/zinc/33/91/19/706339119.db2.gz VJHRUMHDEPFGJH-FHERZECASA-N 2 0 348.495 1.170 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000998993979 706411378 /nfs/dbraw/zinc/41/13/78/706411378.db2.gz IGRBNUKXDAZQOK-PREGVCBESA-N 2 0 331.464 1.348 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998995958 706413250 /nfs/dbraw/zinc/41/32/50/706413250.db2.gz WSUILVQRIDZHKA-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999131215 706566011 /nfs/dbraw/zinc/56/60/11/706566011.db2.gz AVWHHXCKDNCXOC-IRXDYDNUSA-N 2 0 333.480 1.337 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999344903 706856247 /nfs/dbraw/zinc/85/62/47/706856247.db2.gz WMPRNPQUBQDEEC-UHFFFAOYSA-N 2 0 345.487 1.600 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999375963 706870148 /nfs/dbraw/zinc/87/01/48/706870148.db2.gz UABRAYYODGZVHF-WBVHZDCISA-N 2 0 348.495 1.027 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999367006 706880964 /nfs/dbraw/zinc/88/09/64/706880964.db2.gz DFAYJFSUOMOQCI-SJORKVTESA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)CC[C@H]3CCC[N@H+]3C)C2)on1 ZINC000999398347 706893019 /nfs/dbraw/zinc/89/30/19/706893019.db2.gz COZSQZFCYPUCFH-JKSUJKDBSA-N 2 0 334.464 1.938 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000999402966 706911517 /nfs/dbraw/zinc/91/15/17/706911517.db2.gz SYYVQANHFAGLFU-QZTJIDSGSA-N 2 0 347.507 1.858 20 0 EDADRP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)cn1 ZINC000999406125 706915670 /nfs/dbraw/zinc/91/56/70/706915670.db2.gz KKNDBBBPYLMAEV-OOHWJJMZSA-N 2 0 346.475 1.654 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]C[C@@H]2CCCCO2)C1 ZINC000999507889 707005394 /nfs/dbraw/zinc/00/53/94/707005394.db2.gz DCOLFCJUHNZAGY-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999515744 707014894 /nfs/dbraw/zinc/01/48/94/707014894.db2.gz YOLUNLKIRDOLLY-SJORKVTESA-N 2 0 333.480 1.293 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CC2CCOCC2)C1)C12CCC[NH+]1CCC2 ZINC000999595113 707098172 /nfs/dbraw/zinc/09/81/72/707098172.db2.gz FHBIQILVDAMRRE-KRWDZBQOSA-N 2 0 335.492 1.622 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)C2CC([NH2+]CC[C@H]3CCOC3)C2)CC1 ZINC000999600719 707102904 /nfs/dbraw/zinc/10/29/04/707102904.db2.gz DNQSESWOYIJPNN-AOCRQIFASA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000999680872 707165536 /nfs/dbraw/zinc/16/55/36/707165536.db2.gz BRPMYPPVOQRLRG-WLYUNCDWSA-N 2 0 348.495 1.349 20 0 EDADRP COC[C@H](C)[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779264 707238993 /nfs/dbraw/zinc/23/89/93/707238993.db2.gz LUWNTRBZGOHWJL-XLAORIBOSA-N 2 0 337.508 1.534 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)n1 ZINC000999687762 707241462 /nfs/dbraw/zinc/24/14/62/707241462.db2.gz JHBHTJLYDIRWBH-AOCRQIFASA-N 2 0 347.507 1.421 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC000999704949 707294413 /nfs/dbraw/zinc/29/44/13/707294413.db2.gz DOGLAZBECSQTRY-UHFFFAOYSA-N 2 0 328.460 1.565 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC000999707599 707298843 /nfs/dbraw/zinc/29/88/43/707298843.db2.gz IIPFMIIFSALTCY-UHFFFAOYSA-N 2 0 332.448 1.466 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999791277 707362459 /nfs/dbraw/zinc/36/24/59/707362459.db2.gz JYSNSGATRFWFEY-SJLPKXTDSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999792779 707364238 /nfs/dbraw/zinc/36/42/38/707364238.db2.gz OSUJUQLEUQETMV-QZTJIDSGSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1noc(CCC[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCCC[NH+]3C)C2)n1 ZINC001033194037 707430302 /nfs/dbraw/zinc/43/03/02/707430302.db2.gz AQSHSULFEOIQCP-HOTGVXAUSA-N 2 0 349.479 1.328 20 0 EDADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033198116 707459974 /nfs/dbraw/zinc/45/99/74/707459974.db2.gz KSBKZOFXCWFJPV-RBUKOAKNSA-N 2 0 345.487 1.696 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CC[C@H]3C[N@@H+](CCCO)C[C@H]3CC2)CC1 ZINC000946808917 707526355 /nfs/dbraw/zinc/52/63/55/707526355.db2.gz UEWHELQYJVXUEY-HDICACEKSA-N 2 0 337.508 1.271 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033326378 707537516 /nfs/dbraw/zinc/53/75/16/707537516.db2.gz OYADFIZUFXSBQA-KZNAEPCWSA-N 2 0 331.460 1.347 20 0 EDADRP C[C@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932354 707695567 /nfs/dbraw/zinc/69/55/67/707695567.db2.gz ZGXQSPUDBQRMEN-YJBOKZPZSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC001000194260 707831031 /nfs/dbraw/zinc/83/10/31/707831031.db2.gz VPWGWHFHCVMROO-CRAIPNDOSA-N 2 0 330.476 1.812 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033227234 707842116 /nfs/dbraw/zinc/84/21/16/707842116.db2.gz BZLAQYZVAMHBKD-INIZCTEOSA-N 2 0 331.464 1.044 20 0 EDADRP C[C@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004988644 707845577 /nfs/dbraw/zinc/84/55/77/707845577.db2.gz COZUYDQIJMJHQI-ZFWWWQNUSA-N 2 0 337.493 1.493 20 0 EDADRP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000921705302 707864426 /nfs/dbraw/zinc/86/44/26/707864426.db2.gz SDIZZEJDMBQZQH-JKSUJKDBSA-N 2 0 349.475 1.352 20 0 EDADRP Cc1cc(CN2CC[C@@H](N(C)C(=O)C34CCC[NH+]3CCC4)C2)on1 ZINC001033227960 707897494 /nfs/dbraw/zinc/89/74/94/707897494.db2.gz HRMANFJRZNVULO-OAHLLOKOSA-N 2 0 332.448 1.644 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033470662 707932065 /nfs/dbraw/zinc/93/20/65/707932065.db2.gz CDIXUAJGFODUHC-DLBZAZTESA-N 2 0 348.495 1.074 20 0 EDADRP CN(C)c1cccc(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)c1 ZINC001032782249 707972471 /nfs/dbraw/zinc/97/24/71/707972471.db2.gz ZKGYZAOOSVHPTM-WDSOQIARSA-N 2 0 342.487 1.489 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC[C@H]([NH2+]Cc3ccns3)C2)CC1 ZINC001000546233 708049529 /nfs/dbraw/zinc/04/95/29/708049529.db2.gz NQDNYWOPABQBNJ-HNNXBMFYSA-N 2 0 336.505 1.956 20 0 EDADRP CO[C@H](C[N@H+]1CC=C(CNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1)C1CCC1 ZINC001000700929 708060176 /nfs/dbraw/zinc/06/01/76/708060176.db2.gz AHGQEXLLCRDFNT-ATZDWAIDSA-N 2 0 349.519 1.890 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CCOCC2)CC1 ZINC001005183856 708134762 /nfs/dbraw/zinc/13/47/62/708134762.db2.gz KYBWVJWDPXYWHS-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CNc2ccnc(C)n2)C1 ZINC001061014318 708175340 /nfs/dbraw/zinc/17/53/40/708175340.db2.gz LDWHTXXXTZJDCS-JKSUJKDBSA-N 2 0 331.464 1.920 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582803 708266318 /nfs/dbraw/zinc/26/63/18/708266318.db2.gz RDMUPLQBUSCEOA-HOTGVXAUSA-N 2 0 348.491 1.920 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001033592447 708291182 /nfs/dbraw/zinc/29/11/82/708291182.db2.gz HAZSPJSYFCKPPW-QGZVFWFLSA-N 2 0 331.435 1.954 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1)C1CCCC1 ZINC001033594444 708296234 /nfs/dbraw/zinc/29/62/34/708296234.db2.gz QHFUSERRSMMPIR-QZTJIDSGSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1CC[NH+](Cc2ccns2)CC1 ZINC001001826569 708328865 /nfs/dbraw/zinc/32/88/65/708328865.db2.gz WPPBVNHMXDLLLZ-CZUORRHYSA-N 2 0 336.505 1.669 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](O)c2ccc(F)cc2)C1 ZINC001033663969 708445468 /nfs/dbraw/zinc/44/54/68/708445468.db2.gz AVKCAAJJDYRQHT-ZWKOTPCHSA-N 2 0 349.450 1.488 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1C ZINC001033661865 708475523 /nfs/dbraw/zinc/47/55/23/708475523.db2.gz MSNAEGFWJYMVSM-ZWKOTPCHSA-N 2 0 345.487 1.988 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCc2ccnn2C)C1 ZINC001033686726 708501331 /nfs/dbraw/zinc/50/13/31/708501331.db2.gz SLKNFAOLNOZLEM-ROUUACIJSA-N 2 0 347.507 1.370 20 0 EDADRP COC[C@H](C)[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001002043542 708534050 /nfs/dbraw/zinc/53/40/50/708534050.db2.gz RGFXZVKYGPQNNS-AWEZNQCLSA-N 2 0 334.464 1.624 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC001002044068 708534914 /nfs/dbraw/zinc/53/49/14/708534914.db2.gz XQFBQTXZCDNFDB-WBVHZDCISA-N 2 0 335.492 1.478 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001033773418 708671150 /nfs/dbraw/zinc/67/11/50/708671150.db2.gz FFGMXHZRLIAWGG-MSOLQXFVSA-N 2 0 330.476 1.907 20 0 EDADRP CCN(C(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033983071 709191740 /nfs/dbraw/zinc/19/17/40/709191740.db2.gz LRFNXDQNOCHIKU-SFHVURJKSA-N 2 0 347.507 1.781 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001034017604 709235252 /nfs/dbraw/zinc/23/52/52/709235252.db2.gz SJTYQKRWIXDHRW-MRXNPFEDSA-N 2 0 346.475 1.810 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2oc(C)nc2C)C1 ZINC001034039325 709272444 /nfs/dbraw/zinc/27/24/44/709272444.db2.gz HQYYEBPFLWCLSQ-JKSUJKDBSA-N 2 0 334.464 1.666 20 0 EDADRP O=C(NC1CC[NH+](CCC[C@H]2CCOC2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001002830745 709441874 /nfs/dbraw/zinc/44/18/74/709441874.db2.gz CBAIHHXCWCVJFH-QFBILLFUSA-N 2 0 349.519 1.726 20 0 EDADRP CO[C@H](C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)C1CCC1 ZINC001002835032 709450781 /nfs/dbraw/zinc/45/07/81/709450781.db2.gz WOHVAVXBFPMNPX-RTBURBONSA-N 2 0 349.519 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034210504 709560983 /nfs/dbraw/zinc/56/09/83/709560983.db2.gz PFBSRLYGGBYMHS-MRXNPFEDSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001034331562 709786533 /nfs/dbraw/zinc/78/65/33/709786533.db2.gz TVKZFILRVKZJTD-AEFFLSMTSA-N 2 0 347.503 1.756 20 0 EDADRP CC(C)(C)OC(=O)N1C[C@H](O)[C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000702811760 709856950 /nfs/dbraw/zinc/85/69/50/709856950.db2.gz HGPZJOJDXGUSIA-QXSJWSMHSA-N 2 0 339.480 1.431 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](CC[C@@H]3CCCO3)C2)CC1 ZINC001034386015 709914525 /nfs/dbraw/zinc/91/45/25/709914525.db2.gz PBHHAEDRVKIHQR-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001003161043 710070327 /nfs/dbraw/zinc/07/03/27/710070327.db2.gz RYTUOLVEOZBDBT-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC001003161044 710070577 /nfs/dbraw/zinc/07/05/77/710070577.db2.gz RYTUOLVEOZBDBT-FUHWJXTLSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034491370 710111770 /nfs/dbraw/zinc/11/17/70/710111770.db2.gz TVHDYSGOIOGUKG-SJORKVTESA-N 2 0 333.480 1.196 20 0 EDADRP Cc1cncc(C[N@@H+]2CCCC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)c1 ZINC001034485923 710132390 /nfs/dbraw/zinc/13/23/90/710132390.db2.gz HLCPUVZUMVIMND-GOSISDBHSA-N 2 0 342.487 1.957 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001032836963 710181407 /nfs/dbraw/zinc/18/14/07/710181407.db2.gz KQNLDELVEWRSEV-GUDVDZBRSA-N 2 0 345.487 1.785 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCOC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309505 710238806 /nfs/dbraw/zinc/23/88/06/710238806.db2.gz BOMMTQFXEQSPQM-OAHLLOKOSA-N 2 0 342.443 1.955 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032838391 710279389 /nfs/dbraw/zinc/27/93/89/710279389.db2.gz QWOJMLFOJYPRHF-ZACQAIPSSA-N 2 0 335.423 1.144 20 0 EDADRP CCn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC001034610391 710284373 /nfs/dbraw/zinc/28/43/73/710284373.db2.gz NMPPQEMQOWUCKG-BZSNNMDCSA-N 2 0 347.507 1.557 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(NC(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC001003375341 710293458 /nfs/dbraw/zinc/29/34/58/710293458.db2.gz MUVSMMXAXWLLLX-SFHVURJKSA-N 2 0 346.475 1.938 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1)OC ZINC001003424976 710340162 /nfs/dbraw/zinc/34/01/62/710340162.db2.gz XTFHGFBOAPKLFR-MRXNPFEDSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001034657068 710341665 /nfs/dbraw/zinc/34/16/65/710341665.db2.gz WSOTZQHYMXZNDO-QEJZJMRPSA-N 2 0 339.505 1.821 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001003624859 710454241 /nfs/dbraw/zinc/45/42/41/710454241.db2.gz VLXNYUKFIWXMFJ-CYBMUJFWSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001003626921 710455591 /nfs/dbraw/zinc/45/55/91/710455591.db2.gz XMKQDRJWDARQNK-ZDUSSCGKSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC001003636601 710456768 /nfs/dbraw/zinc/45/67/68/710456768.db2.gz WQGXTVABAIRPMA-DOMZBBRYSA-N 2 0 329.435 1.810 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCc2ccns2)CC1 ZINC001003636622 710456810 /nfs/dbraw/zinc/45/68/10/710456810.db2.gz WXVCTTXFFKOKRP-CZUORRHYSA-N 2 0 336.505 1.464 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)n1 ZINC001003628981 710459089 /nfs/dbraw/zinc/45/90/89/710459089.db2.gz VXTHZFUSOMUUNW-AWEZNQCLSA-N 2 0 349.479 1.376 20 0 EDADRP Cc1noc(CCC[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC001003633717 710461487 /nfs/dbraw/zinc/46/14/87/710461487.db2.gz HOWFFKKMJCQKSG-BBRMVZONSA-N 2 0 349.479 1.089 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](CC3CCOCC3)CC2)CC1 ZINC001003740460 710520472 /nfs/dbraw/zinc/52/04/72/710520472.db2.gz KODLYSDQUHRQQF-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1)OC ZINC001005592398 710639578 /nfs/dbraw/zinc/63/95/78/710639578.db2.gz LOYLDXRQHMZART-SJORKVTESA-N 2 0 325.497 1.819 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H](C)O)CC2)C1 ZINC001034711503 710867532 /nfs/dbraw/zinc/86/75/32/710867532.db2.gz BJUFOAFGRZAOOD-QBPKDAKJSA-N 2 0 325.497 1.506 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)[nH]1 ZINC001034734086 710915475 /nfs/dbraw/zinc/91/54/75/710915475.db2.gz KDWZGVSAIGKFMW-RRCSTGOVSA-N 2 0 348.495 1.533 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736926 710948026 /nfs/dbraw/zinc/94/80/26/710948026.db2.gz DPAZIXBMSFMJMU-DTZQCDIJSA-N 2 0 334.464 1.698 20 0 EDADRP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034749236 710956560 /nfs/dbraw/zinc/95/65/60/710956560.db2.gz IVZSUBHINOEWGG-QBPKDAKJSA-N 2 0 325.497 1.647 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC001032960376 710969486 /nfs/dbraw/zinc/96/94/86/710969486.db2.gz ROAOEVZGBQKVEH-FUHWJXTLSA-N 2 0 349.450 1.831 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CC[C@H]3CCCO3)CC2)C1 ZINC001034775469 711048530 /nfs/dbraw/zinc/04/85/30/711048530.db2.gz AHEPDKHEWPGPJQ-XLAORIBOSA-N 2 0 337.508 1.914 20 0 EDADRP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034791933 711117773 /nfs/dbraw/zinc/11/77/73/711117773.db2.gz YVFIMJLOLSALIT-RBSFLKMASA-N 2 0 348.495 1.397 20 0 EDADRP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC001034793212 711122641 /nfs/dbraw/zinc/12/26/41/711122641.db2.gz SPVZQZAQPBGHOB-AAVRWANBSA-N 2 0 337.493 1.568 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)s1 ZINC001034793606 711124332 /nfs/dbraw/zinc/12/43/32/711124332.db2.gz JYJQBPLZFBBKHJ-HDJSIYSDSA-N 2 0 337.493 1.459 20 0 EDADRP Cc1cnc(CN2CCC(NC(=O)C[C@H]3CC[N@@H+](C)C3)CC2)s1 ZINC001003977837 711150659 /nfs/dbraw/zinc/15/06/59/711150659.db2.gz YJSJRXVYLIBEFV-CQSZACIVSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nocc1C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C)cc1 ZINC001034810216 711169933 /nfs/dbraw/zinc/16/99/33/711169933.db2.gz ALDSYYBFVQOMHW-GOSISDBHSA-N 2 0 342.443 1.983 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001034935977 711364076 /nfs/dbraw/zinc/36/40/76/711364076.db2.gz FRGSKVKITLCLPV-HZPDHXFCSA-N 2 0 334.464 1.936 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnn(C)c1 ZINC001034935957 711364448 /nfs/dbraw/zinc/36/44/48/711364448.db2.gz FHSWSDWOVOEDMF-IAGOWNOFSA-N 2 0 333.480 1.374 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cn(C)nc1C ZINC001034955558 711423411 /nfs/dbraw/zinc/42/34/11/711423411.db2.gz KEBYARHFHLNZBZ-MSOLQXFVSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccnn1C ZINC001034958852 711432748 /nfs/dbraw/zinc/43/27/48/711432748.db2.gz MNDBQNYQCLSDMC-FUHWJXTLSA-N 2 0 347.507 1.764 20 0 EDADRP CNC(=O)c1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1 ZINC000922386883 711448564 /nfs/dbraw/zinc/44/85/64/711448564.db2.gz JUGUDXAXBCBCLL-XSYGEPLQSA-N 2 0 345.487 1.616 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@H]1C(C)C ZINC000922392119 711457482 /nfs/dbraw/zinc/45/74/82/711457482.db2.gz BMRGSDLTNJIKAM-PSBWJHGTSA-N 2 0 343.475 1.689 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)[C@@H]1C(C)C ZINC000922394577 711461116 /nfs/dbraw/zinc/46/11/16/711461116.db2.gz OQQOLMZIBAFOTL-LMCOJAPRSA-N 2 0 346.519 1.868 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1F ZINC001004145915 711555833 /nfs/dbraw/zinc/55/58/33/711555833.db2.gz WRWPGBIFQFZBAG-HNNXBMFYSA-N 2 0 349.450 1.867 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001004472247 711848933 /nfs/dbraw/zinc/84/89/33/711848933.db2.gz FQUIJUKNZGSCPQ-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP C[NH+](C)C1(C(=O)N2CC[C@H]3C[N@@H+](C[C@@H]4CCOC4)C[C@H]3CC2)CCC1 ZINC000946623753 711924912 /nfs/dbraw/zinc/92/49/12/711924912.db2.gz PLNVWBDZTWXFFV-OKZBNKHCSA-N 2 0 349.519 1.678 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccon3)C[C@H]2CC1)[NH+](C)C ZINC000946642300 712126060 /nfs/dbraw/zinc/12/60/60/712126060.db2.gz CVGRBOTVNWNGFF-HLLBOEOZSA-N 2 0 334.464 1.685 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1)c1ccccc1 ZINC000369654945 282171260 /nfs/dbraw/zinc/17/12/60/282171260.db2.gz NDFAFSMYGDZXIR-OKZBNKHCSA-N 2 0 331.460 1.516 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)C1 ZINC000365908930 282192144 /nfs/dbraw/zinc/19/21/44/282192144.db2.gz SHHWVJNILGXXBZ-YVSFHVDLSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000370135707 282192574 /nfs/dbraw/zinc/19/25/74/282192574.db2.gz IYACCQBAWRCGDV-JCECYMMASA-N 2 0 334.508 1.985 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000558722705 306245883 /nfs/dbraw/zinc/24/58/83/306245883.db2.gz OIKMTBQXGQSMGE-XHSDSOJGSA-N 2 0 343.537 1.511 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497914 282274266 /nfs/dbraw/zinc/27/42/66/282274266.db2.gz HWQWKGDWYOABPF-HOCLYGCPSA-N 2 0 328.526 1.455 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CCN1C(=O)NC3(CCCC3)C1=O)CC[NH2+]CC2 ZINC000333550600 539633304 /nfs/dbraw/zinc/63/33/04/539633304.db2.gz JKGODBQLOOYJPI-AWEZNQCLSA-N 2 0 334.464 1.315 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCCOC3)c2)C1 ZINC000248131807 539685805 /nfs/dbraw/zinc/68/58/05/539685805.db2.gz ONCKVISJMROTLF-MSOLQXFVSA-N 2 0 331.460 1.653 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339276886 539705419 /nfs/dbraw/zinc/70/54/19/539705419.db2.gz SPABQKFNSUNXDV-GOSISDBHSA-N 2 0 338.540 1.785 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000343015030 539776268 /nfs/dbraw/zinc/77/62/68/539776268.db2.gz PINQJRAITCMIMB-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)[N@H+](C)C1 ZINC000344671168 539814348 /nfs/dbraw/zinc/81/43/48/539814348.db2.gz VLHQEYVQBIMPTE-ROUUACIJSA-N 2 0 349.475 1.352 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000562478240 306299746 /nfs/dbraw/zinc/29/97/46/306299746.db2.gz YCVHVLYHAFSFPC-UHFFFAOYSA-N 2 0 348.495 1.927 20 0 EDADRP [NH3+]C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CCO2)c1ccc(F)cc1 ZINC000562808646 306309843 /nfs/dbraw/zinc/30/98/43/306309843.db2.gz JFJHXBGVZBYNEG-INIZCTEOSA-N 2 0 329.375 1.989 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)C[NH+](C)C ZINC000562995444 306314956 /nfs/dbraw/zinc/31/49/56/306314956.db2.gz KHQNYVKLIWUGDW-ZIAGYGMSSA-N 2 0 347.459 1.209 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)CCCC[NH3+] ZINC000563096663 306318620 /nfs/dbraw/zinc/31/86/20/306318620.db2.gz DZXWODNREHNUBA-UHFFFAOYSA-N 2 0 338.540 1.770 20 0 EDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000180907148 540122875 /nfs/dbraw/zinc/12/28/75/540122875.db2.gz DMSIJFBTLXPFFE-CYBMUJFWSA-N 2 0 329.448 1.860 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1)C(F)F ZINC000563351149 306329035 /nfs/dbraw/zinc/32/90/35/306329035.db2.gz VZHWFSAFLOBXGI-XQQFMLRXSA-N 2 0 331.794 1.742 20 0 EDADRP C[NH+]1CCC(NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC000047792959 540182943 /nfs/dbraw/zinc/18/29/43/540182943.db2.gz NPANSMIVUDXMAR-UHFFFAOYSA-N 2 0 338.496 1.415 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000051959430 138137017 /nfs/dbraw/zinc/13/70/17/138137017.db2.gz YCVVNQUBIIYTIU-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000564315288 306358011 /nfs/dbraw/zinc/35/80/11/306358011.db2.gz NMGSVVLPSYKWRZ-UHFFFAOYSA-N 2 0 334.443 1.332 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000377806135 299282507 /nfs/dbraw/zinc/28/25/07/299282507.db2.gz BLVYEPWBUKJJCT-KRWDZBQOSA-N 2 0 348.539 1.942 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC2([NH+](C)C)CCCCC2)C1(C)C ZINC000261903929 535440551 /nfs/dbraw/zinc/44/05/51/535440551.db2.gz PFPHXVWSQNGCGY-RDTXWAMCSA-N 2 0 325.497 1.900 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000564654633 306362312 /nfs/dbraw/zinc/36/23/12/306362312.db2.gz HNETYDVCPWZFCK-IEBWSBKVSA-N 2 0 328.460 1.506 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000377580801 291191971 /nfs/dbraw/zinc/19/19/71/291191971.db2.gz ARLNEBVLXNBYLD-BHIYHBOVSA-N 2 0 344.503 1.479 20 0 EDADRP CC(C)[C@H](CNC(=O)NCc1ccc(C[NH3+])cc1)[NH+]1CCN(C)CC1 ZINC000564938641 306370544 /nfs/dbraw/zinc/37/05/44/306370544.db2.gz RMWBONOYNHWRCO-SFHVURJKSA-N 2 0 347.507 1.217 20 0 EDADRP O=C([C@@H]1CC[N@@H+](C2CCCCC2)C1)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000361502114 296035839 /nfs/dbraw/zinc/03/58/39/296035839.db2.gz VNDCNUSEXXFPAW-ZWKOTPCHSA-N 2 0 349.519 1.822 20 0 EDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414179263 304104687 /nfs/dbraw/zinc/10/46/87/304104687.db2.gz AFEFDOZGRXFUBJ-QGZVFWFLSA-N 2 0 347.507 1.184 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)[C@@H](C)C1 ZINC000414184914 304104825 /nfs/dbraw/zinc/10/48/25/304104825.db2.gz GAPSMXNZVZGNSS-ZWKOTPCHSA-N 3 0 338.540 1.103 20 0 EDADRP COC1(C[C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000414184505 304104942 /nfs/dbraw/zinc/10/49/42/304104942.db2.gz FVRVFTWCTPUMCY-QGZVFWFLSA-N 2 0 339.524 1.720 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000565639447 306388336 /nfs/dbraw/zinc/38/83/36/306388336.db2.gz RPPRDGNMEYMRNA-FUHWJXTLSA-N 2 0 337.508 1.604 20 0 EDADRP CC(C)[NH+]1CCN(CCCN(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000566093095 306398719 /nfs/dbraw/zinc/39/87/19/306398719.db2.gz ORJALUCIMXYOFF-UHFFFAOYSA-N 2 0 347.551 1.861 20 0 EDADRP CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CS1 ZINC000414488477 304118840 /nfs/dbraw/zinc/11/88/40/304118840.db2.gz UIJAWWAMJDMROJ-IAGOWNOFSA-N 2 0 341.565 1.903 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)C[C@H]1c1ccccc1F ZINC000566209086 306403758 /nfs/dbraw/zinc/40/37/58/306403758.db2.gz OILLYCIUVLQOEV-ZIFCJYIRSA-N 2 0 339.414 1.966 20 0 EDADRP C[C@@H](C(=O)NC1CCCC1)N1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414698409 304129430 /nfs/dbraw/zinc/12/94/30/304129430.db2.gz QTHNUSFVEBRZDS-IKGGRYGDSA-N 2 0 336.524 1.439 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000414704302 304130274 /nfs/dbraw/zinc/13/02/74/304130274.db2.gz MVXRDHVNBQGUPD-IAGOWNOFSA-N 2 0 344.459 1.478 20 0 EDADRP COc1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)cc(OC)c1 ZINC000414710744 304131377 /nfs/dbraw/zinc/13/13/77/304131377.db2.gz SLZQVUCHLMXBPO-CQSZACIVSA-N 2 0 335.448 1.333 20 0 EDADRP C[C@@H]1C[C@H](C[N@H+](Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[NH2+]1 ZINC000414722604 304132878 /nfs/dbraw/zinc/13/28/78/304132878.db2.gz MUSPXAZIYJRCCI-ZACQAIPSSA-N 3 0 331.508 1.752 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000414725719 304133343 /nfs/dbraw/zinc/13/33/43/304133343.db2.gz JCFVAQVGJBAHNH-QGZVFWFLSA-N 2 0 345.491 1.963 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000414748220 304136648 /nfs/dbraw/zinc/13/66/48/304136648.db2.gz WIOGNEXRBUYRDQ-ZDUSSCGKSA-N 2 0 348.422 1.010 20 0 EDADRP Cc1cc(C)n2c(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cnc2n1 ZINC000414771760 304138815 /nfs/dbraw/zinc/13/88/15/304138815.db2.gz AMJNFRGEJCYHLZ-OAHLLOKOSA-N 2 0 329.448 1.533 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000414797338 304141724 /nfs/dbraw/zinc/14/17/24/304141724.db2.gz INKPMRODQQNYRJ-WCQYABFASA-N 2 0 341.839 1.430 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414828761 304145719 /nfs/dbraw/zinc/14/57/19/304145719.db2.gz MPYGYLZZWCTSHG-ZIAGYGMSSA-N 2 0 333.432 1.780 20 0 EDADRP C[NH2+]C[C@@H](C)C[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OC)c1 ZINC000414832235 304145731 /nfs/dbraw/zinc/14/57/31/304145731.db2.gz FEHNDMSBNRXAEK-SNVBAGLBSA-N 2 0 329.828 1.158 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000414996695 304149357 /nfs/dbraw/zinc/14/93/57/304149357.db2.gz XPYPYIMAGFZDTB-CABCVRRESA-N 2 0 346.475 1.739 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000415000090 304149805 /nfs/dbraw/zinc/14/98/05/304149805.db2.gz LEKCEZFTHKNMKB-KRWDZBQOSA-N 2 0 338.446 1.915 20 0 EDADRP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000415075077 304157859 /nfs/dbraw/zinc/15/78/59/304157859.db2.gz AZAMNZVXSOAKIT-ZMSDIMECSA-N 2 0 325.497 1.615 20 0 EDADRP CCOc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)cc1OC ZINC000415080830 304158095 /nfs/dbraw/zinc/15/80/95/304158095.db2.gz JUHGIBUJKVCHAI-HNNXBMFYSA-N 2 0 335.448 1.381 20 0 EDADRP CC(C)C[C@H]([NH3+])CNCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000415092976 304159255 /nfs/dbraw/zinc/15/92/55/304159255.db2.gz UOKLKHOBXLWTHO-OALUTQOASA-N 2 0 346.519 1.847 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CCCO[C@@H](C[NH3+])C2)CC1 ZINC000415100227 304160166 /nfs/dbraw/zinc/16/01/66/304160166.db2.gz ALZIDRQGJOAEGE-SFHVURJKSA-N 3 0 332.492 1.378 20 0 EDADRP C[C@H](C[NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(F)cc1F ZINC000415102769 304160199 /nfs/dbraw/zinc/16/01/99/304160199.db2.gz JSXXNADKXNCRFJ-CHWSQXEVSA-N 2 0 325.403 1.855 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH+]2CCN(Cc3ccccc3)CC2)C1 ZINC000415118962 304161273 /nfs/dbraw/zinc/16/12/73/304161273.db2.gz KEOXFEMHVOJPEQ-GOSISDBHSA-N 2 0 330.476 1.002 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000107368221 204233432 /nfs/dbraw/zinc/23/34/32/204233432.db2.gz YJVFWMPLWMPPMU-SFHVURJKSA-N 2 0 348.466 1.866 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000107370332 204235810 /nfs/dbraw/zinc/23/58/10/204235810.db2.gz VKMCCHLWGHUSRH-GOSISDBHSA-N 2 0 330.476 1.727 20 0 EDADRP Cc1cccc2ncc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)n21 ZINC000415132115 304162551 /nfs/dbraw/zinc/16/25/51/304162551.db2.gz AFNGQUNPMMMBSM-SJORKVTESA-N 2 0 326.444 1.843 20 0 EDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000112288880 204389912 /nfs/dbraw/zinc/38/99/12/204389912.db2.gz SVMRHMBRIOCKAS-QGZVFWFLSA-N 2 0 345.491 1.390 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000236777477 139030965 /nfs/dbraw/zinc/03/09/65/139030965.db2.gz SCUDKURVANGJBD-WBVHZDCISA-N 2 0 325.497 1.485 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000236946455 139035917 /nfs/dbraw/zinc/03/59/17/139035917.db2.gz LVCDIUMYHFRQSO-IRXDYDNUSA-N 2 0 346.475 1.919 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@H](C)[NH2+]C[C@@H]3C)cc2)CC1 ZINC000236994743 139037483 /nfs/dbraw/zinc/03/74/83/139037483.db2.gz MFMSFRCZIPJNMS-HOTGVXAUSA-N 2 0 330.476 1.651 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)[C@@H]([NH3+])c3ccccc3)cn2)CC1 ZINC000237033229 139038699 /nfs/dbraw/zinc/03/86/99/139038699.db2.gz YMMCXZOXDSKHFY-SFHVURJKSA-N 2 0 339.443 1.150 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000237196363 139043800 /nfs/dbraw/zinc/04/38/00/139043800.db2.gz XFRXVJFHNZQXLS-CJNGLKHVSA-N 2 0 325.478 1.483 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000567382538 306449938 /nfs/dbraw/zinc/44/99/38/306449938.db2.gz JMWDYBLJPOGUQV-SJORKVTESA-N 2 0 331.464 1.508 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@]3(C)CCCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000237400251 139050172 /nfs/dbraw/zinc/05/01/72/139050172.db2.gz IHIQFAVBMVGODC-MDZRGWNJSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCOC1 ZINC000156898908 205137667 /nfs/dbraw/zinc/13/76/67/205137667.db2.gz AWHPUKFOJFCJOO-SNRMKQJTSA-N 2 0 345.487 1.899 20 0 EDADRP C[C@@H](c1cccnc1)N1CCN(C(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000237491383 139052464 /nfs/dbraw/zinc/05/24/64/139052464.db2.gz XWIJQUSISPDJMP-GOEBONIOSA-N 2 0 334.489 1.382 20 0 EDADRP CC(=O)NC1CCC([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000133681871 205375008 /nfs/dbraw/zinc/37/50/08/205375008.db2.gz JOHGCNJJAFCELN-UHFFFAOYSA-N 2 0 334.464 1.559 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000237607414 139055595 /nfs/dbraw/zinc/05/55/95/139055595.db2.gz KOYKBAWSIZVNSP-NUIAMIPMSA-N 2 0 337.508 1.913 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CCC[NH2+]3)CC2)c1 ZINC000237722741 139058712 /nfs/dbraw/zinc/05/87/12/139058712.db2.gz QDIBKHXEBFNNJB-SFHVURJKSA-N 2 0 330.476 1.375 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NCc1nccn1CCc1ccccc1 ZINC000237903021 139063258 /nfs/dbraw/zinc/06/32/58/139063258.db2.gz YKQACJJOIJPSHQ-KRWDZBQOSA-N 2 0 342.443 1.511 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237870094 139062321 /nfs/dbraw/zinc/06/23/21/139062321.db2.gz KCDPQOBIOAOTJG-HKUYNNGSSA-N 2 0 344.503 1.832 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237907591 139063540 /nfs/dbraw/zinc/06/35/40/139063540.db2.gz JYUNNFHYTCPZGK-MSOLQXFVSA-N 2 0 331.460 1.536 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000238001898 139066157 /nfs/dbraw/zinc/06/61/57/139066157.db2.gz KCDPQOBIOAOTJG-IEBWSBKVSA-N 2 0 344.503 1.832 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)NCC2CC[NH+](CCO)CC2)CC1 ZINC000111811526 220194520 /nfs/dbraw/zinc/19/45/20/220194520.db2.gz PFKPGNURQHFSDJ-UHFFFAOYSA-N 2 0 340.512 1.110 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000415246260 304178079 /nfs/dbraw/zinc/17/80/79/304178079.db2.gz RANJCZBIXLYKDW-LJQANCHMSA-N 2 0 344.459 1.289 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)C1 ZINC000245933444 139090365 /nfs/dbraw/zinc/09/03/65/139090365.db2.gz VEGFOKQOJDSCJQ-SQNIBIBYSA-N 2 0 325.497 1.017 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[C@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567910433 306466227 /nfs/dbraw/zinc/46/62/27/306466227.db2.gz WRNCGAMFUSGLGN-MSOLQXFVSA-N 2 0 336.524 1.380 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246746351 139119883 /nfs/dbraw/zinc/11/98/83/139119883.db2.gz LDJUCYICVWACSH-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000162653603 206414801 /nfs/dbraw/zinc/41/48/01/206414801.db2.gz SSJGBSNNNBKIAG-APWZRJJASA-N 2 0 345.487 1.913 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)Cn1cc(Br)cn1 ZINC000165995278 206525072 /nfs/dbraw/zinc/52/50/72/206525072.db2.gz JUEXYAZHRNJPDQ-OCCSQVGLSA-N 2 0 347.301 1.981 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(C)(C(N)=O)C2)CC1 ZINC000568629981 306485788 /nfs/dbraw/zinc/48/57/88/306485788.db2.gz WYADNAIIMYKAEM-UHFFFAOYSA-N 2 0 330.476 1.526 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000247429897 139148343 /nfs/dbraw/zinc/14/83/43/139148343.db2.gz OPJNPRZSVNOCHA-NVXWUHKLSA-N 2 0 345.491 1.246 20 0 EDADRP COC1(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC[NH2+]CC1 ZINC000168773052 206546118 /nfs/dbraw/zinc/54/61/18/206546118.db2.gz RRFYBNNJVOIOBC-UHFFFAOYSA-N 2 0 335.448 1.724 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000247586575 139152792 /nfs/dbraw/zinc/15/27/92/139152792.db2.gz MIFPHIDJPIEZSX-UXHICEINSA-N 2 0 331.504 1.692 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC[C@@H](CO)C1 ZINC000249303167 139191084 /nfs/dbraw/zinc/19/10/84/139191084.db2.gz FHPOUSXNCPHWQA-QRQLOZEOSA-N 2 0 345.487 1.470 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000410889190 250395287 /nfs/dbraw/zinc/39/52/87/250395287.db2.gz YDCYCSBOQSRWTK-INIZCTEOSA-N 2 0 340.512 1.118 20 0 EDADRP C[C@H](NC(=O)C1([NH3+])CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261544001 139208632 /nfs/dbraw/zinc/20/86/32/139208632.db2.gz DLGPPGRXLXABNL-RDJZCZTQSA-N 2 0 331.460 1.521 20 0 EDADRP COCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CC[NH2+]CC1 ZINC000262324511 284802674 /nfs/dbraw/zinc/80/26/74/284802674.db2.gz DBPNUGLTKZJSGB-KRWDZBQOSA-N 2 0 333.476 1.730 20 0 EDADRP Cn1ccnc1[C@@H]1C[NH2+]CCN1Cc1nccn1Cc1ccccc1 ZINC000261688995 139217679 /nfs/dbraw/zinc/21/76/79/139217679.db2.gz DVZSRUBTVZLZKH-KRWDZBQOSA-N 2 0 336.443 1.811 20 0 EDADRP Cc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)co2)cc1 ZINC000261739469 139222100 /nfs/dbraw/zinc/22/21/00/139222100.db2.gz SOVKCOSECPYXDQ-MRXNPFEDSA-N 2 0 342.443 1.937 20 0 EDADRP O=C(CC[C@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000261759843 139223620 /nfs/dbraw/zinc/22/36/20/139223620.db2.gz HWJPHWNGCGHOIL-HNNXBMFYSA-N 2 0 325.522 1.854 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261784656 139225597 /nfs/dbraw/zinc/22/55/97/139225597.db2.gz LKWRTVIFUTXBJV-LQJRIPTKSA-N 2 0 326.238 1.571 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccccc3)no2)C1 ZINC000261786789 139226046 /nfs/dbraw/zinc/22/60/46/139226046.db2.gz YMCXOXPBDGXCSB-HNNXBMFYSA-N 2 0 328.416 1.629 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])ccc1C[NH+](C)C ZINC000415460273 304223723 /nfs/dbraw/zinc/22/37/23/304223723.db2.gz YOUHMMGCACNUAG-CZUORRHYSA-N 2 0 332.448 1.239 20 0 EDADRP CN(CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000261916509 139236670 /nfs/dbraw/zinc/23/66/70/139236670.db2.gz UNAMMNBCARFGCR-MJGOQNOKSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@]1(CN2CCC(NS(=O)(=O)c3cccs3)CC2)CC[NH2+]C1 ZINC000261953956 139239640 /nfs/dbraw/zinc/23/96/40/139239640.db2.gz GJRCPVWYAQRBTE-HNNXBMFYSA-N 2 0 343.518 1.490 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000262064783 139247936 /nfs/dbraw/zinc/24/79/36/139247936.db2.gz OISDOGRMOXBDJB-HIFRSBDPSA-N 2 0 325.478 1.496 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000416016642 251048264 /nfs/dbraw/zinc/04/82/64/251048264.db2.gz XDSOVLVIGLTJIF-LBPRGKRZSA-N 2 0 336.358 1.633 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000175066063 207090574 /nfs/dbraw/zinc/09/05/74/207090574.db2.gz KHTIABHDRBTBOF-KRWDZBQOSA-N 2 0 325.497 1.769 20 0 EDADRP C[C@@H]1SCC[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H]1c1ccccc1 ZINC000262246268 139263137 /nfs/dbraw/zinc/26/31/37/139263137.db2.gz WNSOJUVYBWBBMJ-MAUKXSAKSA-N 2 0 333.501 1.987 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000262245476 139263176 /nfs/dbraw/zinc/26/31/76/139263176.db2.gz PLQYHJUQIYSECI-QKLQHJQFSA-N 2 0 349.519 1.853 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262303537 139268313 /nfs/dbraw/zinc/26/83/13/139268313.db2.gz BVWKGVPNNMXFLK-MRXNPFEDSA-N 2 0 349.500 1.861 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000416882620 251117891 /nfs/dbraw/zinc/11/78/91/251117891.db2.gz AKTQZOFYQRWLFN-IRXDYDNUSA-N 2 0 334.464 1.003 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N(C)[C@@H](C)C[NH3+])cc1 ZINC000416999035 251125332 /nfs/dbraw/zinc/12/53/32/251125332.db2.gz XKVHQQVFNNXFAB-HNNXBMFYSA-N 2 0 336.480 1.896 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H](C[NH3+])C[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417307556 251153986 /nfs/dbraw/zinc/15/39/86/251153986.db2.gz BXAWHJRTIWUIFF-OAGGEKHMSA-N 2 0 330.476 1.812 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)[C@@H](C[NH3+])C1 ZINC000417318032 251157672 /nfs/dbraw/zinc/15/76/72/251157672.db2.gz XXBCHMRRLWQWMF-ARFHVFGLSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000262342527 139271609 /nfs/dbraw/zinc/27/16/09/139271609.db2.gz IBOGSTXARHPWOX-VQIMIIECSA-N 2 0 345.487 1.913 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccccc1 ZINC000417495831 251179730 /nfs/dbraw/zinc/17/97/30/251179730.db2.gz VAXZAPVCLGDZDV-XDNAFOTISA-N 2 0 346.475 1.213 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417647079 251212253 /nfs/dbraw/zinc/21/22/53/251212253.db2.gz DYALWVGJSJHMJP-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC[C@@H](c1c(F)cccc1F)N(C)C ZINC000417661847 251217203 /nfs/dbraw/zinc/21/72/03/251217203.db2.gz QKGGUNQFTGISGO-ZOWXZIJZSA-N 2 0 340.418 1.959 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000417666486 251219920 /nfs/dbraw/zinc/21/99/20/251219920.db2.gz CXSHVESZJKBTPR-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000417615922 251207039 /nfs/dbraw/zinc/20/70/39/251207039.db2.gz YJJWWLONVAQVEJ-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H]2C[NH2+]C)[C@H](C)C1 ZINC000417667206 251221345 /nfs/dbraw/zinc/22/13/45/251221345.db2.gz GFFMQRCUMKLVAQ-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2CCC([NH3+])CC2)[C@H](C)C1 ZINC000417669581 251221596 /nfs/dbraw/zinc/22/15/96/251221596.db2.gz LXGWSOLOFODBFZ-RDHHWEPZSA-N 2 0 340.512 1.693 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NC2(C)CC[NH2+]CC2)[C@H](C)C1 ZINC000417672276 251222383 /nfs/dbraw/zinc/22/23/83/251222383.db2.gz SFJBGXJCXXEKLV-HZPDHXFCSA-N 2 0 340.512 1.565 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000417719049 251240730 /nfs/dbraw/zinc/24/07/30/251240730.db2.gz WERDMSCPIYJCEP-NVXWUHKLSA-N 2 0 334.464 1.269 20 0 EDADRP C[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)C[NH+]1CCN(C)CC1 ZINC000417753044 251255898 /nfs/dbraw/zinc/25/58/98/251255898.db2.gz NVIGWSJWKRWQIB-CVEARBPZSA-N 2 0 347.507 1.389 20 0 EDADRP C[C@@H](NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C(C)(C)C[NH+](C)C ZINC000417847237 251295635 /nfs/dbraw/zinc/29/56/35/251295635.db2.gz ALDAEDNUPRISGG-CABCVRRESA-N 2 0 340.512 1.360 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000417800534 251275566 /nfs/dbraw/zinc/27/55/66/251275566.db2.gz BYKFADHDDPUECG-ZBFHGGJFSA-N 2 0 326.485 1.316 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000417805631 251277268 /nfs/dbraw/zinc/27/72/68/251277268.db2.gz HVUVHDHLOABUCI-MRXNPFEDSA-N 2 0 328.501 1.548 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@H]2COCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000262505873 139283059 /nfs/dbraw/zinc/28/30/59/139283059.db2.gz JDRRBQGBLAFJDN-FUHWJXTLSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)CCCO1 ZINC000418108182 251324303 /nfs/dbraw/zinc/32/43/03/251324303.db2.gz AOJGHPVTSQPPIS-JKSUJKDBSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418110686 251325737 /nfs/dbraw/zinc/32/57/37/251325737.db2.gz WPPZFASJZWDIPE-PKOBYXMFSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@H]1CCN(C(=O)NCCC[N@@H+]2CCCO[C@H](C)C2)C[C@H]1C[NH3+] ZINC000418112122 251327449 /nfs/dbraw/zinc/32/74/49/251327449.db2.gz HUYJUCGYOMSUBH-ARFHVFGLSA-N 2 0 326.485 1.114 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)NC[C@@H]1CCC[NH2+]1 ZINC000417860713 251302236 /nfs/dbraw/zinc/30/22/36/251302236.db2.gz YYWPTBGNZKNFHY-KRWDZBQOSA-N 2 0 346.475 1.195 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H](C[NH3+])C3CC3)cc2)CC1 ZINC000418162662 251350490 /nfs/dbraw/zinc/35/04/90/251350490.db2.gz GMACPRNRTQGFAJ-SFHVURJKSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418193015 251353028 /nfs/dbraw/zinc/35/30/28/251353028.db2.gz MXKCKXOFTSCJIT-GOEBONIOSA-N 2 0 349.479 1.339 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418382895 251364405 /nfs/dbraw/zinc/36/44/05/251364405.db2.gz IZJDSWJKZKKGDS-WMZOPIPTSA-N 2 0 347.507 1.933 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000418641330 251383010 /nfs/dbraw/zinc/38/30/10/251383010.db2.gz SAWZHPNUSAENAV-IIDMSEBBSA-N 2 0 330.476 1.938 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)CC1 ZINC000262657723 139293738 /nfs/dbraw/zinc/29/37/38/139293738.db2.gz VGSKEHIADJIDEI-QGZVFWFLSA-N 2 0 332.492 1.424 20 0 EDADRP C[C@@H]([NH3+])C(=O)Nc1ccc(C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000262660689 139293963 /nfs/dbraw/zinc/29/39/63/139293963.db2.gz XMEZPWFLFOQFTI-OAHLLOKOSA-N 2 0 339.443 1.690 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]([NH3+])Cc3ccccc32)CC1 ZINC000420406048 251704902 /nfs/dbraw/zinc/70/49/02/251704902.db2.gz QJGZSUOKZNISGF-INIZCTEOSA-N 2 0 330.476 1.365 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422901185 252017165 /nfs/dbraw/zinc/01/71/65/252017165.db2.gz KNUVPULWDPCIIZ-ZFWWWQNUSA-N 2 0 335.448 1.418 20 0 EDADRP CS(=O)(=O)c1ccc(OCC[NH2+]C2CCC(C[NH3+])CC2)cc1 ZINC000422856510 252002656 /nfs/dbraw/zinc/00/26/56/252002656.db2.gz FNDUUNKAFGYKCI-UHFFFAOYSA-N 2 0 326.462 1.576 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2c(C)nn(C)c2OC)CC[NH2+]CC1 ZINC000423056880 252029402 /nfs/dbraw/zinc/02/94/02/252029402.db2.gz YXGCVZWJTQMVKA-CYBMUJFWSA-N 2 0 338.452 1.148 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423071265 252033304 /nfs/dbraw/zinc/03/33/04/252033304.db2.gz FAHKCXSNAQAVLX-WBVHZDCISA-N 2 0 340.489 1.714 20 0 EDADRP C[C@](CO)(C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000423072288 252034677 /nfs/dbraw/zinc/03/46/77/252034677.db2.gz IXXKPBPMJGTDAH-VNTMZGSJSA-N 2 0 332.488 1.974 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000423321334 252046226 /nfs/dbraw/zinc/04/62/26/252046226.db2.gz HFGKMIOHFOSWLT-UHFFFAOYSA-N 2 0 332.448 1.306 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[NH2+]CC2)c1 ZINC000423348404 252049146 /nfs/dbraw/zinc/04/91/46/252049146.db2.gz SYFNXVUXTXKXCU-ZDUSSCGKSA-N 2 0 331.416 1.700 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423357085 252052029 /nfs/dbraw/zinc/05/20/29/252052029.db2.gz LLJYYXPZMZJLRM-ICSRJNTNSA-N 2 0 345.487 1.874 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CO)c2ccc(F)cc2)CC[NH2+]CC1 ZINC000422990773 252021683 /nfs/dbraw/zinc/02/16/83/252021683.db2.gz NYRVRERDLCFERP-BBRMVZONSA-N 2 0 338.423 1.770 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000423840831 252088667 /nfs/dbraw/zinc/08/86/67/252088667.db2.gz LQUUZISJROLWSC-IBGZPJMESA-N 2 0 345.487 1.660 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000423959813 252108987 /nfs/dbraw/zinc/10/89/87/252108987.db2.gz XTJHDQZQSPHEQU-ZGUYJTEBSA-N 2 0 336.524 1.617 20 0 EDADRP CC[C@H](C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1)[NH+](CC)CC ZINC000423993922 252111192 /nfs/dbraw/zinc/11/11/92/252111192.db2.gz BJZPROGSNPVNNR-BRWVUGGUSA-N 2 0 325.497 1.852 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000423791834 252075362 /nfs/dbraw/zinc/07/53/62/252075362.db2.gz HMBCSWUGJKTNHI-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)CCO1 ZINC000424180291 252154704 /nfs/dbraw/zinc/15/47/04/252154704.db2.gz NXCIITUZBPAEHA-SJORKVTESA-N 2 0 325.497 1.853 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424201388 252159201 /nfs/dbraw/zinc/15/92/01/252159201.db2.gz RWFMCWIPRURZRW-JKSUJKDBSA-N 2 0 342.447 1.413 20 0 EDADRP [NH3+][C@H](CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)c1ccccc1 ZINC000424221269 252167594 /nfs/dbraw/zinc/16/75/94/252167594.db2.gz GQBVBXBTHUMCNE-QGZVFWFLSA-N 2 0 339.443 1.740 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471919 252243224 /nfs/dbraw/zinc/24/32/24/252243224.db2.gz DMIPICLIBWNVIW-QXCFHYIPSA-N 2 0 342.487 1.900 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)c1 ZINC000424472379 252244686 /nfs/dbraw/zinc/24/46/86/252244686.db2.gz UYHBSLLGUSERKQ-MRXNPFEDSA-N 2 0 346.475 1.629 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000415620569 304240730 /nfs/dbraw/zinc/24/07/30/304240730.db2.gz VDBXGXBXALXLAV-PBHICJAKSA-N 2 0 346.475 1.581 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000417568823 285032949 /nfs/dbraw/zinc/03/29/49/285032949.db2.gz PLQUKRUHIRPXJZ-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000263198761 139327940 /nfs/dbraw/zinc/32/79/40/139327940.db2.gz IUWKDGJDSANRJR-VQIMIIECSA-N 2 0 345.491 1.357 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000426421183 254491048 /nfs/dbraw/zinc/49/10/48/254491048.db2.gz OREZWACHKLGPKP-UHFFFAOYSA-N 3 0 338.540 1.593 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000442715093 254558424 /nfs/dbraw/zinc/55/84/24/254558424.db2.gz LAVUFXJMFUEVQK-INIZCTEOSA-N 2 0 334.464 1.112 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H](OC)C(C)C ZINC000342253525 285244326 /nfs/dbraw/zinc/24/43/26/285244326.db2.gz UURFBZAKBFWQQR-IAGOWNOFSA-N 2 0 342.528 1.715 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1CCCC2 ZINC000372155505 285250313 /nfs/dbraw/zinc/25/03/13/285250313.db2.gz FVXWBMPEAQUFTE-MRXNPFEDSA-N 2 0 347.507 1.708 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)CC[C@H]2CCC[NH2+]2)CC1 ZINC000494662115 255256978 /nfs/dbraw/zinc/25/69/78/255256978.db2.gz ANJZGURTGDRSPW-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1CC([NH3+])C1 ZINC000415794268 304272470 /nfs/dbraw/zinc/27/24/70/304272470.db2.gz VNSBHCKABNTUDS-UHFFFAOYSA-N 2 0 344.459 1.559 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)CCO2)CC[NH2+]1 ZINC000496337854 255382998 /nfs/dbraw/zinc/38/29/98/255382998.db2.gz FFXSXOCZZDCDEN-KFWWJZLASA-N 2 0 327.469 1.600 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)CCOC ZINC000341054160 285278706 /nfs/dbraw/zinc/27/87/06/285278706.db2.gz NKKJIWKISQBULK-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C[NH3+] ZINC000415842599 304280239 /nfs/dbraw/zinc/28/02/39/304280239.db2.gz HNSMMYIHSHRDJI-GDBMZVCRSA-N 2 0 346.475 1.173 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)CC1 ZINC000570683657 306548643 /nfs/dbraw/zinc/54/86/43/306548643.db2.gz ACVFLAPQCVKNOU-KBAYOESNSA-N 2 0 335.492 1.523 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000571044062 306556476 /nfs/dbraw/zinc/55/64/76/306556476.db2.gz QVGCJRZXORCMBC-UHFFFAOYSA-N 2 0 335.448 1.012 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416213586 304296350 /nfs/dbraw/zinc/29/63/50/304296350.db2.gz HTZZVJFDZOICOT-WMZOPIPTSA-N 2 0 333.476 1.595 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000271137942 140244361 /nfs/dbraw/zinc/24/43/61/140244361.db2.gz ROJCZTSNOCSNHG-WMLDXEAASA-N 2 0 337.439 1.513 20 0 EDADRP C[NH+](C/C=C/C[N@H+](C)CCCn1ccnc1)CCCn1ccnc1 ZINC000271690702 140334609 /nfs/dbraw/zinc/33/46/09/140334609.db2.gz LPRLADYYVIXBLU-ONEGZZNKSA-N 2 0 330.480 1.980 20 0 EDADRP CO[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000571860089 306575894 /nfs/dbraw/zinc/57/58/94/306575894.db2.gz BUTLWZBRMYOYQA-QUCCMNQESA-N 2 0 345.487 1.877 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3nccn(C)c3=O)C2)[C@H](C)C1 ZINC000331475132 141035455 /nfs/dbraw/zinc/03/54/55/141035455.db2.gz CZGXOGVMABWMGU-PMPSAXMXSA-N 2 0 333.480 1.069 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000332610477 141214320 /nfs/dbraw/zinc/21/43/20/141214320.db2.gz AGYXAADWEIKZDP-XLAORIBOSA-N 2 0 330.476 1.996 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123068 141267689 /nfs/dbraw/zinc/26/76/89/141267689.db2.gz ASIMQTWSLJHAQG-VZEFYGNVSA-N 2 0 336.480 1.007 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@@H](C)[C@H]2C)CC1 ZINC000333379200 141308708 /nfs/dbraw/zinc/30/87/08/141308708.db2.gz NKAARJLQLJCVEV-XHSDSOJGSA-N 2 0 345.491 1.999 20 0 EDADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000333605556 141343743 /nfs/dbraw/zinc/34/37/43/141343743.db2.gz RBYMLRLMXZQDSK-CQSZACIVSA-N 2 0 331.464 1.382 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C1CCCC1 ZINC000333668308 141353339 /nfs/dbraw/zinc/35/33/39/141353339.db2.gz MQURLDQRNJZSGV-ULQDDVLXSA-N 2 0 338.496 1.432 20 0 EDADRP C[C@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C[C@@H]1[NH3+] ZINC000333800647 141384132 /nfs/dbraw/zinc/38/41/32/141384132.db2.gz OAQLSGIGVKQEFV-BBRMVZONSA-N 2 0 336.505 1.949 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000333833750 141390550 /nfs/dbraw/zinc/39/05/50/141390550.db2.gz JWTJEKRONHRVCG-MJGOQNOKSA-N 2 0 337.508 1.901 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)C1 ZINC000333873255 141399536 /nfs/dbraw/zinc/39/95/36/141399536.db2.gz SJAFUNAMPNINOZ-MVJTYMMSSA-N 2 0 337.508 1.709 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCCC[NH+]2CCCC2)C[C@@H](C)O1 ZINC000339415865 142042011 /nfs/dbraw/zinc/04/20/11/142042011.db2.gz WOADXCUCWLJFQN-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCCc2cc(S(N)(=O)=O)ccc21 ZINC000340165735 142289403 /nfs/dbraw/zinc/28/94/03/142289403.db2.gz KQJGFHBTILRKSW-MRXNPFEDSA-N 2 0 339.505 1.889 20 0 EDADRP Cc1nccn1CC[NH2+]Cc1ccccc1OCC(=O)N1CCCC1 ZINC000340440688 142392586 /nfs/dbraw/zinc/39/25/86/142392586.db2.gz REHGKFUCKKXWFF-UHFFFAOYSA-N 2 0 342.443 1.983 20 0 EDADRP CC[C@@H](C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[NH+](CC)CC ZINC000345429145 143090174 /nfs/dbraw/zinc/09/01/74/143090174.db2.gz JAGRIQMWAQDWJA-INIZCTEOSA-N 2 0 340.512 1.119 20 0 EDADRP O=C(CC1(O)CCCC1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000345709919 143124103 /nfs/dbraw/zinc/12/41/03/143124103.db2.gz XQYPVYUXJWSERL-UHFFFAOYSA-N 2 0 346.475 1.405 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000345737947 143127343 /nfs/dbraw/zinc/12/73/43/143127343.db2.gz FPPOWQMHPQMNHB-HUUCEWRRSA-N 2 0 326.485 1.004 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)c2ccccc2C[NH+](C)C)C[C@H](C)O1 ZINC000345938575 143149335 /nfs/dbraw/zinc/14/93/35/143149335.db2.gz XYZPEKXOFWDMEC-HOTGVXAUSA-N 2 0 333.476 1.977 20 0 EDADRP COC(=O)c1coc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000346662200 143228299 /nfs/dbraw/zinc/22/82/99/143228299.db2.gz BMZZSUBIZXDNAT-CJNGLKHVSA-N 2 0 349.431 1.146 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCOC2CCC2)CC1 ZINC000347028204 143273462 /nfs/dbraw/zinc/27/34/62/143273462.db2.gz FXTLHOZAVLDINN-UHFFFAOYSA-N 2 0 339.524 1.972 20 0 EDADRP COc1ccc(C)cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347127153 143285597 /nfs/dbraw/zinc/28/55/97/143285597.db2.gz YPHRJIJOFARUFN-MRXNPFEDSA-N 2 0 331.460 1.647 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1c(C)nn(C)c1C ZINC000347988892 143388007 /nfs/dbraw/zinc/38/80/07/143388007.db2.gz CDYRZLPXKHDCFD-QGZVFWFLSA-N 2 0 347.507 1.821 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000369791075 155179121 /nfs/dbraw/zinc/17/91/21/155179121.db2.gz PTRCBNHHXXRFCJ-UHFFFAOYSA-N 2 0 348.491 1.378 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)(N2CCOCC2)C1 ZINC000248994853 286012646 /nfs/dbraw/zinc/01/26/46/286012646.db2.gz OQLVBBQTSORKGJ-SMVLHYPJSA-N 2 0 337.508 1.473 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C[NH3+])C1 ZINC000416842859 304351064 /nfs/dbraw/zinc/35/10/64/304351064.db2.gz NRTVYDBHRGLNRL-OKZBNKHCSA-N 2 0 346.475 1.409 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416843313 304351113 /nfs/dbraw/zinc/35/11/13/304351113.db2.gz OKUAVWLGDZNIKZ-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)[NH+]1CCCC1 ZINC000416844245 304351147 /nfs/dbraw/zinc/35/11/47/304351147.db2.gz PYKQDEIPUWMOGI-IAGOWNOFSA-N 2 0 346.475 1.869 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000416867480 304353068 /nfs/dbraw/zinc/35/30/68/304353068.db2.gz LIWQMJZGDGEOHH-ARFHVFGLSA-N 2 0 326.485 1.160 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000352719432 149127662 /nfs/dbraw/zinc/12/76/62/149127662.db2.gz KEUGAPZDRUFHEF-UHFFFAOYSA-N 2 0 340.512 1.663 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000369915603 155230392 /nfs/dbraw/zinc/23/03/92/155230392.db2.gz HKMKDMCFYSYYJH-SFHVURJKSA-N 2 0 349.519 1.966 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000353267521 149346437 /nfs/dbraw/zinc/34/64/37/149346437.db2.gz USGHCWBPALKNQC-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416962516 304355847 /nfs/dbraw/zinc/35/58/47/304355847.db2.gz AKRUKCRWGRITKA-PBHICJAKSA-N 2 0 334.464 1.424 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+])[NH+]1CCN(C)CC1 ZINC000416965065 304356209 /nfs/dbraw/zinc/35/62/09/304356209.db2.gz WYFHSDWVGPHYCV-IKGGRYGDSA-N 2 0 339.528 1.027 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000369930176 155241290 /nfs/dbraw/zinc/24/12/90/155241290.db2.gz XBXGJPNFGLOULT-DLBZAZTESA-N 2 0 335.492 1.717 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000416969700 304357537 /nfs/dbraw/zinc/35/75/37/304357537.db2.gz LDTNIMIIZPJBHP-CABCVRRESA-N 2 0 334.464 1.519 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416973843 304358643 /nfs/dbraw/zinc/35/86/43/304358643.db2.gz VYDRJFCZCDEDJO-PBHICJAKSA-N 2 0 334.464 1.424 20 0 EDADRP CN(C)c1nccc(N2C[C@H](F)C[C@@H]2C[N@H+](C)Cc2cncnc2)n1 ZINC000354911873 150027593 /nfs/dbraw/zinc/02/75/93/150027593.db2.gz ASVGKXAAQZHJCQ-HUUCEWRRSA-N 2 0 345.426 1.381 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@@H](C)C1 ZINC000355085967 150109436 /nfs/dbraw/zinc/10/94/36/150109436.db2.gz WWQOARREIZHWOM-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C1 ZINC000355383031 150245732 /nfs/dbraw/zinc/24/57/32/150245732.db2.gz KJSZNLZFJZUPPR-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355507703 150297279 /nfs/dbraw/zinc/29/72/79/150297279.db2.gz JJAYBJBGOLZQIN-RTBURBONSA-N 2 0 343.471 1.583 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000573680908 306629549 /nfs/dbraw/zinc/62/95/49/306629549.db2.gz IDCQLQXJLFFAQV-BZSNNMDCSA-N 2 0 336.524 1.247 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC1CC[NH+](CC)CC1 ZINC000356114348 150515673 /nfs/dbraw/zinc/51/56/73/150515673.db2.gz GDAZTXOSYAVWOM-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000370280108 286197926 /nfs/dbraw/zinc/19/79/26/286197926.db2.gz DOJJCYJGUHUDKD-HOCLYGCPSA-N 2 0 334.464 1.981 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+](C)CC1 ZINC000357978135 151219840 /nfs/dbraw/zinc/21/98/40/151219840.db2.gz SFSCXOYVNOQVSI-CYBMUJFWSA-N 2 0 326.510 1.350 20 0 EDADRP C[C@@H](NC(=O)N1CCC[C@H]1CN1CCOCC1)C1=CC[N@H+](C)CC1 ZINC000358082731 151264727 /nfs/dbraw/zinc/26/47/27/151264727.db2.gz WZXJNWKARDZNCY-WBVHZDCISA-N 2 0 336.480 1.143 20 0 EDADRP C[C@@H]1COCCN1CCNC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000358277420 151324441 /nfs/dbraw/zinc/32/44/41/151324441.db2.gz SUBXHTQOSRGXNY-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NC[C@@H]1C[NH+](CC(C)C)CCO1 ZINC000358419807 151368946 /nfs/dbraw/zinc/36/89/46/151368946.db2.gz JMPSYSWFVOCDPJ-IAGOWNOFSA-N 2 0 342.528 1.763 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC[C@H]1COc2ccccc2O1 ZINC000358505520 151398508 /nfs/dbraw/zinc/39/85/08/151398508.db2.gz IWMMTLGVJJMESL-HNNXBMFYSA-N 2 0 345.443 1.018 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417121492 304374527 /nfs/dbraw/zinc/37/45/27/304374527.db2.gz WQEYDULHRGAKGD-UONOGXRCSA-N 2 0 326.510 1.479 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCC(C)(C)O)CC1 ZINC000360450172 152048933 /nfs/dbraw/zinc/04/89/33/152048933.db2.gz UOQBCYXTLDEXCA-UHFFFAOYSA-N 2 0 327.513 1.708 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360657641 152142076 /nfs/dbraw/zinc/14/20/76/152142076.db2.gz OTVROXJSMLLSMZ-HLLBOEOZSA-N 2 0 342.553 1.986 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000360694137 152155542 /nfs/dbraw/zinc/15/55/42/152155542.db2.gz LIYPXIPFMSSQLG-OAHLLOKOSA-N 2 0 342.553 1.797 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2)CC1 ZINC000574042751 306641315 /nfs/dbraw/zinc/64/13/15/306641315.db2.gz CBVMGNKVMKGTQZ-BEFAXECRSA-N 2 0 342.443 1.074 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)CCSC1 ZINC000360754282 152188060 /nfs/dbraw/zinc/18/80/60/152188060.db2.gz LRNZAOVKLKMUDV-HOCLYGCPSA-N 2 0 326.510 1.303 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000361354133 152370039 /nfs/dbraw/zinc/37/00/39/152370039.db2.gz WHPZBJKNQQBGHV-AEFFLSMTSA-N 2 0 334.508 1.523 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C1 ZINC000361892307 152541227 /nfs/dbraw/zinc/54/12/27/152541227.db2.gz FBQJWTOYPMGVCP-ZJPYXAASSA-N 2 0 337.508 1.759 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)C[C@H]2CCC[NH2+]CC2)C[C@H](C)O1 ZINC000363689801 153030276 /nfs/dbraw/zinc/03/02/76/153030276.db2.gz VAGOFHKNPNVRKA-BBWFWOEESA-N 2 0 325.497 1.772 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCO[C@]3(CCc4ccccc43)C2)CC1 ZINC000363737091 153043083 /nfs/dbraw/zinc/04/30/83/153043083.db2.gz CLGKCFOUUSRWEO-HXUWFJFHSA-N 2 0 343.471 1.324 20 0 EDADRP CC(C)[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(CCN3CCOCC3)C2)CS1 ZINC000364855544 153352074 /nfs/dbraw/zinc/35/20/74/153352074.db2.gz WNAYXAHEDDWTPE-JYJNAYRXSA-N 2 0 341.521 1.039 20 0 EDADRP O=C1NCCN1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000367355843 154086995 /nfs/dbraw/zinc/08/69/95/154086995.db2.gz HDXYEVGQZKRNML-FQEVSTJZSA-N 2 0 342.487 2.000 20 0 EDADRP CC[NH+](CC)CC(=O)NC1CC[NH+](CC2(O)CCCCC2)CC1 ZINC000367390522 154100776 /nfs/dbraw/zinc/10/07/76/154100776.db2.gz QIUNFRNTTVJLOT-UHFFFAOYSA-N 2 0 325.497 1.604 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3ccc4nsnc4c3)C2)CC1 ZINC000367593667 154191229 /nfs/dbraw/zinc/19/12/29/154191229.db2.gz LQWQYIFKCOGUFF-CYBMUJFWSA-N 2 0 345.472 1.590 20 0 EDADRP C[C@@H]1CN(C[C@H]2CN(C)CCO2)CC[N@@H+]1C[C@@H]1Cc2ccccc21 ZINC000367894459 154316171 /nfs/dbraw/zinc/31/61/71/154316171.db2.gz CZFIBEPHQPXOQX-NZSAHSFTSA-N 2 0 329.488 1.663 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[NH2+]1 ZINC000417341260 304392633 /nfs/dbraw/zinc/39/26/33/304392633.db2.gz BHEXDPGZETYQMU-GOEBONIOSA-N 2 0 334.464 1.567 20 0 EDADRP COC(=O)[C@@H]1C[C@H](OC)CCN1CCCN1CC[NH+](C(C)C)CC1 ZINC000369501688 155060667 /nfs/dbraw/zinc/06/06/67/155060667.db2.gz UDBKYKQALSATLK-SJORKVTESA-N 2 0 341.496 1.055 20 0 EDADRP C[NH+]1CCC(CCNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)CC1 ZINC000369656170 155121792 /nfs/dbraw/zinc/12/17/92/155121792.db2.gz JKXGVEBJJDZFOV-RCCFBDPRSA-N 2 0 334.508 1.844 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCC[NH+]2CCC(C)CC2)C1 ZINC000370600813 155573149 /nfs/dbraw/zinc/57/31/49/155573149.db2.gz BKBHSNULOHOGAC-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000417471612 304397965 /nfs/dbraw/zinc/39/79/65/304397965.db2.gz VQYJLQCWGIKJQE-HZPDHXFCSA-N 2 0 328.501 1.646 20 0 EDADRP CCO[C@H](C)c1noc(CN2CCCN(CC[NH2+]C(C)C)CC2)n1 ZINC000373838652 157027211 /nfs/dbraw/zinc/02/72/11/157027211.db2.gz ZZYXNUGCQCHKCR-OAHLLOKOSA-N 2 0 339.484 1.673 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NCCOc3ccccc3)C2)CC1 ZINC000374176296 157179331 /nfs/dbraw/zinc/17/93/31/157179331.db2.gz SRYIXJXZUODMCJ-UHFFFAOYSA-N 2 0 345.487 1.989 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)CC1 ZINC000374333670 157250017 /nfs/dbraw/zinc/25/00/17/157250017.db2.gz VUMFXSXLVXNODO-SFHVURJKSA-N 2 0 336.524 1.204 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585142 157336366 /nfs/dbraw/zinc/33/63/66/157336366.db2.gz NXEKBDBKBGXBHJ-OWYHZJEWSA-N 2 0 345.487 1.862 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000374585143 157336687 /nfs/dbraw/zinc/33/66/87/157336687.db2.gz NXEKBDBKBGXBHJ-YSHGAJCASA-N 2 0 345.487 1.862 20 0 EDADRP COCCN1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)C[C@H]1C ZINC000377966666 158042248 /nfs/dbraw/zinc/04/22/48/158042248.db2.gz VWDFMAKKBJCEIJ-AEFFLSMTSA-N 2 0 346.475 1.225 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378200901 158106073 /nfs/dbraw/zinc/10/60/73/158106073.db2.gz HCUYHHCQMLKLPA-KRWDZBQOSA-N 2 0 338.540 1.816 20 0 EDADRP CCn1cncc1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000417896629 304427948 /nfs/dbraw/zinc/42/79/48/304427948.db2.gz PUJQXZFDZCZWIO-UHFFFAOYSA-N 2 0 328.464 1.600 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@@H](CC[NH3+])C2)ccn1 ZINC000417956715 304438140 /nfs/dbraw/zinc/43/81/40/304438140.db2.gz TYSBHKLGJRJKCY-HNNXBMFYSA-N 2 0 349.479 1.292 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000352156195 162019775 /nfs/dbraw/zinc/01/97/75/162019775.db2.gz ZSBAMRDUMVNJJZ-JKSUJKDBSA-N 2 0 328.501 1.517 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCOCC[NH+](CC)CC ZINC000352209003 162052177 /nfs/dbraw/zinc/05/21/77/162052177.db2.gz XPOZNXRAVOJREY-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000352312536 162110753 /nfs/dbraw/zinc/11/07/53/162110753.db2.gz HMZXRTOILHMLDY-OAHLLOKOSA-N 2 0 333.542 1.758 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000418068686 304454003 /nfs/dbraw/zinc/45/40/03/304454003.db2.gz OOKREOOGKPKZKT-JKSUJKDBSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418184778 304461458 /nfs/dbraw/zinc/46/14/58/304461458.db2.gz ABHCSXNOYPIWFY-HIFRSBDPSA-N 2 0 335.452 1.043 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](C)C1 ZINC000663553233 452259844 /nfs/dbraw/zinc/25/98/44/452259844.db2.gz MSACVLPGNZIEFK-JYJNAYRXSA-N 2 0 326.485 1.221 20 0 EDADRP Cc1ccccc1-n1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000069703404 287252552 /nfs/dbraw/zinc/25/25/52/287252552.db2.gz INVCJGODBGOOGZ-UHFFFAOYSA-N 2 0 343.475 1.746 20 0 EDADRP Cc1cc(F)ccc1CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000088617614 287319606 /nfs/dbraw/zinc/31/96/06/287319606.db2.gz QUQQLYKNQBSSFB-UHFFFAOYSA-N 2 0 338.471 1.811 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000418371412 304486921 /nfs/dbraw/zinc/48/69/21/304486921.db2.gz XMNXQUAFESQKAV-INIZCTEOSA-N 2 0 340.512 1.429 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418380449 304488980 /nfs/dbraw/zinc/48/89/80/304488980.db2.gz FJVONOHUTVKLEC-NANBGGJNSA-N 2 0 346.475 1.710 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000123453282 222279611 /nfs/dbraw/zinc/27/96/11/222279611.db2.gz ANCWCKPAWGTFMP-UHFFFAOYSA-N 3 0 338.540 1.641 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418418621 304494376 /nfs/dbraw/zinc/49/43/76/304494376.db2.gz WNCLLSUBLBFZER-CYGHRXIMSA-N 2 0 348.466 1.945 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)CC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237155871 273008240 /nfs/dbraw/zinc/00/82/40/273008240.db2.gz NEQPTMLSUGMIPG-LJQANCHMSA-N 2 0 346.519 1.856 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[NH2+]C[C@@H]2CCCO2)C1 ZINC000237714150 273012171 /nfs/dbraw/zinc/01/21/71/273012171.db2.gz QLYMZFVRQGLNIU-XHSDSOJGSA-N 2 0 325.497 1.628 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)NCC[NH+](CC)CCO)cc1 ZINC000274605040 268167701 /nfs/dbraw/zinc/16/77/01/268167701.db2.gz XXDLNRFMBUIONW-UHFFFAOYSA-N 2 0 335.492 1.963 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)C[NH+](C)Cc1ccccc1 ZINC000274618550 268169637 /nfs/dbraw/zinc/16/96/37/268169637.db2.gz FDLAAFHBQZXISG-INIZCTEOSA-N 2 0 336.480 1.120 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189604 273076104 /nfs/dbraw/zinc/07/61/04/273076104.db2.gz HRSAZMJEDMPDHW-SJLPKXTDSA-N 2 0 330.476 1.854 20 0 EDADRP Cc1oc(-c2ccco2)nc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000103213358 272918912 /nfs/dbraw/zinc/91/89/12/272918912.db2.gz XRNDQOLERUDZMG-UHFFFAOYSA-N 2 0 348.447 1.737 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCOC[C@H]1C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000277511538 273202794 /nfs/dbraw/zinc/20/27/94/273202794.db2.gz QDJVFBQGJXGUHF-KCITZHQASA-N 2 0 345.487 1.780 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]23CCC[C@@H]2C[NH2+]C3)Cc2ccccc2C1 ZINC000280802209 273400266 /nfs/dbraw/zinc/40/02/66/273400266.db2.gz KWDHRNFSPFCUJM-XLIONFOSSA-N 2 0 327.472 1.592 20 0 EDADRP CC[N@H+](CC(=O)N1CCC([NH+]2CCN(C(C)C)CC2)CC1)C1CC1 ZINC000372826444 276080054 /nfs/dbraw/zinc/08/00/54/276080054.db2.gz VEWGUQCNLCUUKN-UHFFFAOYSA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[NH2+]C[C@@H]1C)Cc1ccccc1 ZINC000417012070 276113231 /nfs/dbraw/zinc/11/32/31/276113231.db2.gz VIOUGCRIYJTASH-FUHWJXTLSA-N 2 0 332.492 1.943 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N[C@H](C)CC[NH3+])CC1 ZINC000416999025 276385550 /nfs/dbraw/zinc/38/55/50/276385550.db2.gz XJFQVYHIDFDKCY-MRXNPFEDSA-N 2 0 347.507 1.361 20 0 EDADRP CC(C)(C(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000417835389 277122854 /nfs/dbraw/zinc/12/28/54/277122854.db2.gz VYWDTXCDSLUPMI-SJORKVTESA-N 2 0 330.476 1.219 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@@H]2CCCC[NH+]2C[C@@H]1C ZINC000343984913 277220858 /nfs/dbraw/zinc/22/08/58/277220858.db2.gz CPIJDDAKYOQGHK-BBWFWOEESA-N 2 0 338.496 1.365 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)cc1 ZINC000414935611 277286680 /nfs/dbraw/zinc/28/66/80/277286680.db2.gz BBZQRGNMKKPLSI-XJKSGUPXSA-N 2 0 332.448 1.189 20 0 EDADRP CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000352676860 277354110 /nfs/dbraw/zinc/35/41/10/277354110.db2.gz URKQKGBSNNTQFK-PQYPPTLTSA-N 2 0 333.476 1.085 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660024 452775173 /nfs/dbraw/zinc/77/51/73/452775173.db2.gz OLHLSRWIFUBLRV-XHSDSOJGSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000151210006 277384125 /nfs/dbraw/zinc/38/41/25/277384125.db2.gz WYEAFWKPYXPAAX-UHFFFAOYSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420351284 278212618 /nfs/dbraw/zinc/21/26/18/278212618.db2.gz WKUQEOYZMJQNLH-ICUGJSFKSA-N 2 0 336.524 1.295 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000418078424 278230054 /nfs/dbraw/zinc/23/00/54/278230054.db2.gz VVMVWRGSSCEZMS-DOTOQJQBSA-N 2 0 334.464 1.314 20 0 EDADRP C[C@@H](CCNC(=O)NC[C@@H]1C[NH2+]CCCO1)[N@H+](C)Cc1ccccc1 ZINC000417822939 278232778 /nfs/dbraw/zinc/23/27/78/278232778.db2.gz XOLWCLNUOZSCRP-WMZOPIPTSA-N 2 0 348.491 1.575 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417023880 278249416 /nfs/dbraw/zinc/24/94/16/278249416.db2.gz PMBPHOSLGIDDSH-RDJZCZTQSA-N 2 0 333.480 1.012 20 0 EDADRP CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000417835382 278267425 /nfs/dbraw/zinc/26/74/25/278267425.db2.gz VYWDTXCDSLUPMI-DLBZAZTESA-N 2 0 330.476 1.219 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000459033505 278277699 /nfs/dbraw/zinc/27/76/99/278277699.db2.gz BQXYPBCYQZXGOS-SZMVWBNQSA-N 2 0 348.491 1.119 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)C[C@H]1C ZINC000333979246 278291064 /nfs/dbraw/zinc/29/10/64/278291064.db2.gz ABCJYHXSKFENLD-CABCVRRESA-N 2 0 338.496 1.100 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000286671229 288058917 /nfs/dbraw/zinc/05/89/17/288058917.db2.gz XTBPWQLBOHGYOI-UHFFFAOYSA-N 2 0 341.419 1.796 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC[N@H+](C)Cc1ccco1 ZINC000286805105 288092347 /nfs/dbraw/zinc/09/23/47/288092347.db2.gz VGJUOKWCHNXPSS-MRXNPFEDSA-N 2 0 337.464 1.528 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCC[N@@H+]1C ZINC000345410564 279091767 /nfs/dbraw/zinc/09/17/67/279091767.db2.gz LVGYTIBTLTZLAC-NJAFHUGGSA-N 2 0 332.492 1.941 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]2CCC[N@@H+]2C[C@@H]1C ZINC000352213436 279108321 /nfs/dbraw/zinc/10/83/21/279108321.db2.gz HUEAAIJJNFSGQD-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340050408 279112142 /nfs/dbraw/zinc/11/21/42/279112142.db2.gz BTYFAYLRDVSEQG-XHSDSOJGSA-N 2 0 333.542 1.614 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1nccs1 ZINC000337577004 279302087 /nfs/dbraw/zinc/30/20/87/279302087.db2.gz JQYXYWRRLQRFIQ-OAHLLOKOSA-N 2 0 338.521 1.950 20 0 EDADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193156 279359059 /nfs/dbraw/zinc/35/90/59/279359059.db2.gz JGGRWDWBDBUGBJ-SJORKVTESA-N 2 0 337.508 1.556 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000333251548 279505883 /nfs/dbraw/zinc/50/58/83/279505883.db2.gz GVZSJBSWTYZCQN-MELADBBJSA-N 2 0 343.518 1.489 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417819681 279667395 /nfs/dbraw/zinc/66/73/95/279667395.db2.gz XQTMUTIQDVQUCI-RDJZCZTQSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nncn1C ZINC000287357441 288218797 /nfs/dbraw/zinc/21/87/97/288218797.db2.gz PMXWHDKPBFBDJY-CRAIPNDOSA-N 2 0 343.475 1.911 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC000287982702 288373502 /nfs/dbraw/zinc/37/35/02/288373502.db2.gz JLBMNMQIYCZHAT-WMZOPIPTSA-N 2 0 348.491 1.263 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C(C)C)N1CC[NH+](C)CC1 ZINC000347405842 282024082 /nfs/dbraw/zinc/02/40/82/282024082.db2.gz ZGAZPQGGMOZJNQ-CVEARBPZSA-N 2 0 326.529 1.541 20 0 EDADRP CCC[C@H](C(=O)NCc1ccncc1OCCC[NH+](C)C)[NH+](C)C ZINC000288724247 288552318 /nfs/dbraw/zinc/55/23/18/288552318.db2.gz MODPIQCBFVGJGT-MRXNPFEDSA-N 2 0 336.480 1.759 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H]1CCC[NH2+]C1)[C@H]1CC12CC[NH2+]CC2 ZINC000370159118 288717152 /nfs/dbraw/zinc/71/71/52/288717152.db2.gz FKXPHOPBEXZTLW-HOTGVXAUSA-N 2 0 345.491 1.373 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCOCC1 ZINC000458402034 289050501 /nfs/dbraw/zinc/05/05/01/289050501.db2.gz RRWIQZPKHKCPFK-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CN(C[C@](C)(O)C[N@@H+]1CC[C@@H](C[NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496174573 289195992 /nfs/dbraw/zinc/19/59/92/289195992.db2.gz XHXGZYNRFBJAHG-YOEHRIQHSA-N 2 0 329.485 1.488 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CCn3cncc3C2)[NH+](C)C)c1 ZINC000292306969 289312247 /nfs/dbraw/zinc/31/22/47/289312247.db2.gz HZIOQEJKFQDAFO-KRWDZBQOSA-N 2 0 343.431 1.720 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C)C[C@H](C)C1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430593445 289316728 /nfs/dbraw/zinc/31/67/28/289316728.db2.gz SPDIEGDOYTUNEJ-OWCLPIDISA-N 2 0 325.497 1.709 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)CCSC1 ZINC000353327373 289341504 /nfs/dbraw/zinc/34/15/04/289341504.db2.gz NQHAIDMJRFSARF-IIAWOOMASA-N 2 0 326.510 1.159 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NCC2([NH+](C)C)CCOCC2)CCc2ccccc21 ZINC000376764565 289397116 /nfs/dbraw/zinc/39/71/16/289397116.db2.gz MGRUFIPKYXACSO-HXUWFJFHSA-N 2 0 345.487 1.617 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360737852 289398860 /nfs/dbraw/zinc/39/88/60/289398860.db2.gz NNMLNZQSMCMMGN-HOCLYGCPSA-N 2 0 328.526 1.407 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000354556542 289517047 /nfs/dbraw/zinc/51/70/47/289517047.db2.gz SYEHGXFCQWMMJR-BMFZPTHFSA-N 2 0 326.485 1.004 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)NC[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414965302 289735508 /nfs/dbraw/zinc/73/55/08/289735508.db2.gz FLIFCFZULKEYDM-RBSFLKMASA-N 2 0 336.446 1.723 20 0 EDADRP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344045025 290399937 /nfs/dbraw/zinc/39/99/37/290399937.db2.gz XZDDRONUELVXAK-ROUUACIJSA-N 2 0 340.556 1.839 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H](c1ccc(F)cc1)N1CCOCC1 ZINC000422763035 293096297 /nfs/dbraw/zinc/09/62/97/293096297.db2.gz OKDHLTXMFVZQNL-ZWKOTPCHSA-N 2 0 339.455 1.543 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N1CCC[N@@H+](C2CCCC2)CC1)C(F)(F)F ZINC000416009355 295235561 /nfs/dbraw/zinc/23/55/61/295235561.db2.gz OVCGPUDUOCIAHV-CYBMUJFWSA-N 2 0 336.402 1.926 20 0 EDADRP [NH3+]C[C@@H](C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000424259598 295241945 /nfs/dbraw/zinc/24/19/45/295241945.db2.gz AMXUKQUTLQBTSZ-SJORKVTESA-N 3 0 348.466 1.012 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000418539693 304510225 /nfs/dbraw/zinc/51/02/25/304510225.db2.gz FYBVRCUNSNIZQJ-KBAYOESNSA-N 2 0 346.475 1.582 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000418556878 304512886 /nfs/dbraw/zinc/51/28/86/304512886.db2.gz OGIMFLCUIAVVFH-IKICRFKJSA-N 2 0 346.475 1.567 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000418933456 304552381 /nfs/dbraw/zinc/55/23/81/304552381.db2.gz IZOQYHCDOIFXFS-CVEARBPZSA-N 2 0 340.512 1.058 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000419234046 304579361 /nfs/dbraw/zinc/57/93/61/304579361.db2.gz LQYJGIDCJIESTH-MRXNPFEDSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NCC[N@H+](C)C2CCCC2)cc1 ZINC000414875797 299004620 /nfs/dbraw/zinc/00/46/20/299004620.db2.gz JTXPGIGXXFMELL-ZDUSSCGKSA-N 2 0 332.448 1.635 20 0 EDADRP CC(C)(CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)C[NH+]1CCCC1 ZINC000419666196 304655372 /nfs/dbraw/zinc/65/53/72/304655372.db2.gz QAIAPIDEATZFKI-INIZCTEOSA-N 2 0 346.475 1.041 20 0 EDADRP C[C@H](CCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)[NH+]1CCCCC1 ZINC000419702228 304666246 /nfs/dbraw/zinc/66/62/46/304666246.db2.gz ASMVZZLUHHHZKY-NVXWUHKLSA-N 2 0 346.475 1.183 20 0 EDADRP C[C@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C[NH3+] ZINC000420476594 304763521 /nfs/dbraw/zinc/76/35/21/304763521.db2.gz IPAGQUYVNRTLSP-DZGCQCFKSA-N 2 0 325.478 1.354 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754231 447322365 /nfs/dbraw/zinc/32/23/65/447322365.db2.gz NQKMVOWARHEGMI-ZNMIVQPWSA-N 2 0 346.475 1.566 20 0 EDADRP C[C@@H]1CCO[C@@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294453425 303109425 /nfs/dbraw/zinc/10/94/25/303109425.db2.gz HAKPQDBIAUBVRU-WBVHZDCISA-N 2 0 332.448 1.135 20 0 EDADRP C[NH+](C)C/C=C/C(=O)NCCCC(C)(C)NC(=O)/C=C/C[NH+](C)C ZINC000294688263 303136286 /nfs/dbraw/zinc/13/62/86/303136286.db2.gz UJOZJDISKSHOPY-AMMQDNIMSA-N 2 0 338.496 1.013 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNCc2cn(CC(=O)OC)nn2)c1 ZINC000296499862 303321295 /nfs/dbraw/zinc/32/12/95/303321295.db2.gz QWXYYPBKQHTFLG-UHFFFAOYSA-N 2 0 345.447 1.583 20 0 EDADRP C[C@@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400431264 303858946 /nfs/dbraw/zinc/85/89/46/303858946.db2.gz JWPDEZNERQDNRB-CABCVRRESA-N 2 0 329.485 1.942 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CC(=O)N(c2ccc(Cl)c(F)c2)C1 ZINC000423022046 304883353 /nfs/dbraw/zinc/88/33/53/304883353.db2.gz GWPYTBWECDPLLD-NWDGAFQWSA-N 2 0 343.830 1.928 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1)c1ccsc1 ZINC000423329703 304892525 /nfs/dbraw/zinc/89/25/25/304892525.db2.gz NDBAKPAGPXFUIT-JKSUJKDBSA-N 2 0 347.488 1.902 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)C[C@H]1COCC[NH2+]1 ZINC000423747769 304908063 /nfs/dbraw/zinc/90/80/63/304908063.db2.gz PWXAEEUOOSAJAE-SFHVURJKSA-N 2 0 333.476 1.388 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000423847420 304912182 /nfs/dbraw/zinc/91/21/82/304912182.db2.gz ORTHGDJNZIGPDQ-QGZVFWFLSA-N 2 0 346.475 1.534 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)[C@H](C)C1 ZINC000430702923 305062843 /nfs/dbraw/zinc/06/28/43/305062843.db2.gz DEXMIPLHERFDDO-IKGGRYGDSA-N 2 0 341.496 1.008 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430706471 305063081 /nfs/dbraw/zinc/06/30/81/305063081.db2.gz NCFCRSKLUXUXEC-MRXNPFEDSA-N 2 0 332.448 1.434 20 0 EDADRP CC[C@@H](CNC(=O)C[C@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000430767323 305064305 /nfs/dbraw/zinc/06/43/05/305064305.db2.gz VYNUNAPFQMIERJ-ROUUACIJSA-N 2 0 331.460 1.318 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCO[C@@H]2CCCC[C@H]2C)CC1 ZINC000430916467 305067778 /nfs/dbraw/zinc/06/77/78/305067778.db2.gz ARVGXYCXVHTJHX-NVXWUHKLSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)CC1 ZINC000430931037 305068823 /nfs/dbraw/zinc/06/88/23/305068823.db2.gz CCLPUUSIZKFUOP-CQSZACIVSA-N 2 0 332.448 1.462 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(OCCOC)cc2)CC1 ZINC000430965369 305071542 /nfs/dbraw/zinc/07/15/42/305071542.db2.gz IXJDICVGPDFBEW-UHFFFAOYSA-N 2 0 349.475 1.259 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000431011682 305072769 /nfs/dbraw/zinc/07/27/69/305072769.db2.gz BSOWNSMQOFSTDV-ZDUSSCGKSA-N 2 0 339.402 1.488 20 0 EDADRP C[C@H]1C[N@@H+](C2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)CCO1 ZINC000431063648 305073900 /nfs/dbraw/zinc/07/39/00/305073900.db2.gz GEZZJGXAJUENNK-MAUKXSAKSA-N 2 0 331.460 1.441 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000431058011 305073946 /nfs/dbraw/zinc/07/39/46/305073946.db2.gz QLYMZFVRQGLNIU-OWCLPIDISA-N 2 0 325.497 1.628 20 0 EDADRP COC1(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CC[NH2+]CC1 ZINC000431062832 305074069 /nfs/dbraw/zinc/07/40/69/305074069.db2.gz UKANYIQTGALDCW-RDJZCZTQSA-N 2 0 331.460 1.707 20 0 EDADRP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076023 305086915 /nfs/dbraw/zinc/08/69/15/305086915.db2.gz KPGULZBFJCXFKH-ZBFHGGJFSA-N 2 0 348.491 1.858 20 0 EDADRP COc1ccccc1CCN(C)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433130979 305101325 /nfs/dbraw/zinc/10/13/25/305101325.db2.gz TYHCUEQDTAUXAS-UHFFFAOYSA-N 2 0 333.476 1.899 20 0 EDADRP Cn1nccc1C1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)CC1 ZINC000433147272 305101730 /nfs/dbraw/zinc/10/17/30/305101730.db2.gz CJQVBXUAQICOJT-UHFFFAOYSA-N 2 0 333.480 1.329 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000433159801 305102228 /nfs/dbraw/zinc/10/22/28/305102228.db2.gz FVBCBEVVPBAYIV-SFHVURJKSA-N 2 0 333.476 1.490 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000433376588 305106720 /nfs/dbraw/zinc/10/67/20/305106720.db2.gz NRWZROBTBOGMSE-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385518 305107369 /nfs/dbraw/zinc/10/73/69/305107369.db2.gz BHRQVDRLJLMXLK-HZPDHXFCSA-N 2 0 348.495 1.587 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433409277 305108288 /nfs/dbraw/zinc/10/82/88/305108288.db2.gz GWYOBJLPQXRMDJ-HNNXBMFYSA-N 2 0 334.468 1.199 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000434534174 305124132 /nfs/dbraw/zinc/12/41/32/305124132.db2.gz GTDGPTZBXVLLPN-OAHLLOKOSA-N 2 0 332.510 1.244 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCCOCC(F)(F)F ZINC000436056500 305151612 /nfs/dbraw/zinc/15/16/12/305151612.db2.gz ZCCFLBDCZALCNR-LBPRGKRZSA-N 2 0 325.375 1.275 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000440975813 305215541 /nfs/dbraw/zinc/21/55/41/305215541.db2.gz AVSZSEHAXCAGQF-MRXNPFEDSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000444377670 305247749 /nfs/dbraw/zinc/24/77/49/305247749.db2.gz XKFDGHQFLQSDCT-HNNXBMFYSA-N 2 0 333.476 1.665 20 0 EDADRP Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000448679366 305301161 /nfs/dbraw/zinc/30/11/61/305301161.db2.gz CJDCMNJSFBXOHL-CABCVRRESA-N 2 0 348.491 1.355 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000449116957 305307110 /nfs/dbraw/zinc/30/71/10/305307110.db2.gz RYKZFKZNJPBNCP-HRCADAONSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H]1CSC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000449177518 305308919 /nfs/dbraw/zinc/30/89/19/305308919.db2.gz PWNASGQFWZWHHR-DZGCQCFKSA-N 2 0 327.538 1.954 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(CC(=O)N3CCN(Cc4ccsc4)CC3)C[C@@H]21 ZINC000451625543 305356966 /nfs/dbraw/zinc/35/69/66/305356966.db2.gz PYTLJTVVQCSMFQ-SJORKVTESA-N 2 0 348.516 1.028 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000452349413 305391416 /nfs/dbraw/zinc/39/14/16/305391416.db2.gz MRFBDBHYNQWRLP-MOPGFXCFSA-N 2 0 345.487 1.614 20 0 EDADRP CCC[C@H]1CN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000377775192 447349585 /nfs/dbraw/zinc/34/95/85/447349585.db2.gz LHQLYOHNBLSVIM-OKZBNKHCSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000471657246 305538137 /nfs/dbraw/zinc/53/81/37/305538137.db2.gz GVMBRNUIKFSKEN-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CC[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1cccc(C)c1 ZINC000514669302 305701478 /nfs/dbraw/zinc/70/14/78/305701478.db2.gz ZXBQTOPFDMHAKD-ZWKOTPCHSA-N 2 0 335.492 1.350 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000515223156 305717394 /nfs/dbraw/zinc/71/73/94/305717394.db2.gz IKSLDTRIMXSCIS-GJZGRUSLSA-N 2 0 347.463 1.310 20 0 EDADRP O=C(CC[NH2+]C1CC1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000519834198 305776695 /nfs/dbraw/zinc/77/66/95/305776695.db2.gz SPDMKTAFKYTNIN-UHFFFAOYSA-N 2 0 325.522 1.996 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000521050191 305784784 /nfs/dbraw/zinc/78/47/84/305784784.db2.gz DCTUJNDRUYZUCN-AWEZNQCLSA-N 2 0 331.460 1.970 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)N[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000521867261 305794016 /nfs/dbraw/zinc/79/40/16/305794016.db2.gz HBHJGNLWXXEFNH-AEFFLSMTSA-N 2 0 332.492 1.479 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2ccccc2C1 ZINC000524930308 305821098 /nfs/dbraw/zinc/82/10/98/305821098.db2.gz MWWFNLDIIBVNAO-SFHVURJKSA-N 2 0 332.492 1.679 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)[C@H](C)O1 ZINC000449122298 447362559 /nfs/dbraw/zinc/36/25/59/447362559.db2.gz KYJGACBTFJHNKF-IKGGRYGDSA-N 2 0 333.480 1.534 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1OC ZINC000414933047 447362859 /nfs/dbraw/zinc/36/28/59/447362859.db2.gz WLAIFGDIXJJPIL-CABCVRRESA-N 2 0 335.448 1.570 20 0 EDADRP C[C@@H]1C[C@@H](C)CN(C(=O)C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)C1 ZINC000530238370 305935530 /nfs/dbraw/zinc/93/55/30/305935530.db2.gz MPBGWVWOCVVEEI-NUJGCVRESA-N 2 0 337.508 1.581 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000535834525 306017964 /nfs/dbraw/zinc/01/79/64/306017964.db2.gz GGENMPLERFKBGB-IAGOWNOFSA-N 2 0 327.513 1.706 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000543027390 306060188 /nfs/dbraw/zinc/06/01/88/306060188.db2.gz RNVCSJKAILBFLN-ROUUACIJSA-N 2 0 330.476 1.704 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)N[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000545176063 306081141 /nfs/dbraw/zinc/08/11/41/306081141.db2.gz XPWZDZQQYOELDH-PKOBYXMFSA-N 2 0 346.475 1.017 20 0 EDADRP CC[C@@H]1CCCC[C@@H]1OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545954812 306088410 /nfs/dbraw/zinc/08/84/10/306088410.db2.gz SLNWTXPLSIWHCP-SJORKVTESA-N 2 0 327.513 1.924 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(Cl)c(F)c1 ZINC000550327841 306152285 /nfs/dbraw/zinc/15/22/85/306152285.db2.gz JKQNEIGPEZOPHN-UHFFFAOYSA-N 2 0 345.846 1.810 20 0 EDADRP C[NH+](C)CCCCC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000552566019 306180373 /nfs/dbraw/zinc/18/03/73/306180373.db2.gz OYJVMPXHAXGRCZ-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2cccc2)ccn1 ZINC000554579256 306195816 /nfs/dbraw/zinc/19/58/16/306195816.db2.gz IVRRDWKIOKVCHQ-UHFFFAOYSA-N 2 0 329.448 1.438 20 0 EDADRP CC(=O)Nc1ccccc1CC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000555309571 306201202 /nfs/dbraw/zinc/20/12/02/306201202.db2.gz JTAJQFTXOIGQNE-UHFFFAOYSA-N 2 0 334.464 1.139 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000556686463 306214011 /nfs/dbraw/zinc/21/40/11/306214011.db2.gz LQGFNHWGJJEHSA-QGZVFWFLSA-N 2 0 338.540 1.591 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1)c1ccccc1 ZINC000556780313 306217758 /nfs/dbraw/zinc/21/77/58/306217758.db2.gz XRXLQNRDPFPZRB-QZTJIDSGSA-N 2 0 345.487 1.785 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2CC[NH2+][C@@H](C)C2)[NH+]2CCCC2)c1 ZINC000557136074 306224854 /nfs/dbraw/zinc/22/48/54/306224854.db2.gz XWVRDAXLVZACNY-YJBOKZPZSA-N 2 0 346.475 1.835 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@@H]1C ZINC000414946843 447369700 /nfs/dbraw/zinc/36/97/00/447369700.db2.gz TYZINSHIPBUQQG-WMLDXEAASA-N 2 0 346.475 1.580 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CCC[NH+]1CCCO ZINC000458445449 447372753 /nfs/dbraw/zinc/37/27/53/447372753.db2.gz WICGGVDAWFSCBC-IRXDYDNUSA-N 2 0 340.512 1.397 20 0 EDADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414964782 447377136 /nfs/dbraw/zinc/37/71/36/447377136.db2.gz CFDDRBGGECKOPG-HNNXBMFYSA-N 2 0 347.429 1.471 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000414967608 447379359 /nfs/dbraw/zinc/37/93/59/447379359.db2.gz QFENJIXXDLHGKX-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCCC2)cc1 ZINC000415111462 447389694 /nfs/dbraw/zinc/38/96/94/447389694.db2.gz CCUOLIAJBZGVQR-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC1([NH+](C)C)CCC1 ZINC000426238378 447404703 /nfs/dbraw/zinc/40/47/03/447404703.db2.gz OCUCSCKJZWBDJB-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000415300948 447405775 /nfs/dbraw/zinc/40/57/75/447405775.db2.gz SFRHBEQKUOTCLL-OAHLLOKOSA-N 2 0 332.448 1.286 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000456538946 447408361 /nfs/dbraw/zinc/40/83/61/447408361.db2.gz YCOFDGJPQUIWFR-KRWDZBQOSA-N 2 0 337.508 1.964 20 0 EDADRP CC[C@@H]1CN(CCNC(=O)NC2CCC([NH+](C)C)CC2)CCO1 ZINC000422247744 447421785 /nfs/dbraw/zinc/42/17/85/447421785.db2.gz XPKSKUSOBAACPZ-UYSNPLJNSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000422258824 447428033 /nfs/dbraw/zinc/42/80/33/447428033.db2.gz KOMBRIZNASFYSQ-UYSNPLJNSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCc1cn(C)cn1 ZINC000458620514 447427743 /nfs/dbraw/zinc/42/77/43/447427743.db2.gz NQNIXTQXSXEWPC-OAHLLOKOSA-N 2 0 329.448 1.782 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000458632902 447432497 /nfs/dbraw/zinc/43/24/97/447432497.db2.gz OIKXGBCDBABKKX-UIBIWLFHSA-N 2 0 334.508 1.985 20 0 EDADRP CCN(C(=O)C(=O)NCCC[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000419828435 447436190 /nfs/dbraw/zinc/43/61/90/447436190.db2.gz CVWGSHXHVFWLIL-NVXWUHKLSA-N 2 0 346.475 1.135 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419830383 447437158 /nfs/dbraw/zinc/43/71/58/447437158.db2.gz VYSBTOYEWDHTDC-UHFFFAOYSA-N 2 0 338.496 1.017 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000080882422 441203832 /nfs/dbraw/zinc/20/38/32/441203832.db2.gz QVCKZBAMNDUESN-UHFFFAOYSA-N 2 0 331.460 1.469 20 0 EDADRP C[NH+](C)C1(C(=O)NCCC2CC[NH+](C)CC2)Cc2ccccc2C1 ZINC000081314332 441252616 /nfs/dbraw/zinc/25/26/16/441252616.db2.gz LZWUQMXUMJNFRU-UHFFFAOYSA-N 2 0 329.488 1.934 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)CCCOc2ccccc2)CC1 ZINC000048057438 441255536 /nfs/dbraw/zinc/25/55/36/441255536.db2.gz NYZHRDKBJQXYJV-UHFFFAOYSA-N 2 0 333.476 1.988 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000072996477 441284039 /nfs/dbraw/zinc/28/40/39/441284039.db2.gz OIMXMWLFUAJRBA-LJQANCHMSA-N 2 0 344.503 1.655 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000073427107 441316072 /nfs/dbraw/zinc/31/60/72/441316072.db2.gz VQSJKTNOSPZHSY-QGZVFWFLSA-N 2 0 325.497 1.676 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000063178539 441316536 /nfs/dbraw/zinc/31/65/36/441316536.db2.gz MDIGWHASTYKLSW-CYBMUJFWSA-N 2 0 340.265 1.736 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000107283997 441407733 /nfs/dbraw/zinc/40/77/33/441407733.db2.gz JPSMADYWVMCSNA-ZWKOTPCHSA-N 2 0 336.524 1.489 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCc1cccn1C ZINC000074922851 441479068 /nfs/dbraw/zinc/47/90/68/441479068.db2.gz FDXYNOCZXUZMQY-QGZVFWFLSA-N 2 0 335.496 1.583 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000074616569 441450774 /nfs/dbraw/zinc/45/07/74/441450774.db2.gz QJXPYBXNRHLVDC-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114459812 441658084 /nfs/dbraw/zinc/65/80/84/441658084.db2.gz CYICSDHCEMKJEV-IAGOWNOFSA-N 2 0 325.497 1.601 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000041717526 441669616 /nfs/dbraw/zinc/66/96/16/441669616.db2.gz RDJZPTXJTAILPZ-UHFFFAOYSA-N 2 0 334.464 1.533 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000116438627 441821789 /nfs/dbraw/zinc/82/17/89/441821789.db2.gz OCERXLFZJVYPCR-CVEARBPZSA-N 2 0 341.544 1.288 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NCCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000068515888 441811818 /nfs/dbraw/zinc/81/18/18/441811818.db2.gz AXFSRKNDUZSWOE-LJQANCHMSA-N 2 0 346.519 1.823 20 0 EDADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1 ZINC000173961218 441870725 /nfs/dbraw/zinc/87/07/25/441870725.db2.gz IHNFHMJZFKYHEO-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c[nH]c(C)cc1=O ZINC000174458055 441926269 /nfs/dbraw/zinc/92/62/69/441926269.db2.gz ZILTXRQHBITKBD-OAHLLOKOSA-N 2 0 334.464 1.171 20 0 EDADRP C[C@@H](CN1CCOCC1)NC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000078462974 441932942 /nfs/dbraw/zinc/93/29/42/441932942.db2.gz VVVKEPRWVCVWKY-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000119868805 441967332 /nfs/dbraw/zinc/96/73/32/441967332.db2.gz UARCJULLVRQUCJ-LEOMRAHMSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000079115053 442020451 /nfs/dbraw/zinc/02/04/51/442020451.db2.gz BXIWBKSUNQEPMW-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP COc1cc(F)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000120264614 442037862 /nfs/dbraw/zinc/03/78/62/442037862.db2.gz NVELQUBWWOIWOP-UHFFFAOYSA-N 2 0 344.406 1.931 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000161890783 442040587 /nfs/dbraw/zinc/04/05/87/442040587.db2.gz IPTGGYPRMHXMLE-KRWDZBQOSA-N 2 0 347.507 1.426 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000163105095 442144867 /nfs/dbraw/zinc/14/48/67/442144867.db2.gz XODBRUZQHQXYAR-WNRNVDISSA-N 2 0 338.540 1.638 20 0 EDADRP COc1ccccc1C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(C)CC1 ZINC000120873815 442145238 /nfs/dbraw/zinc/14/52/38/442145238.db2.gz GOHDYLAQXZZDGM-QGZVFWFLSA-N 2 0 331.460 1.476 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc1NC(C)=O ZINC000162549484 442103321 /nfs/dbraw/zinc/10/33/21/442103321.db2.gz WTGJNPZMBPUQTK-HNNXBMFYSA-N 2 0 348.491 1.942 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@H]2C[NH2+]CCO2)c2cccs2)CC1 ZINC000163578530 442175086 /nfs/dbraw/zinc/17/50/86/442175086.db2.gz JVVOOHIMNFDDSR-HUUCEWRRSA-N 2 0 337.489 1.626 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176130437 442180358 /nfs/dbraw/zinc/18/03/58/442180358.db2.gz JBMFNWLOQQVCMA-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000164609692 442200469 /nfs/dbraw/zinc/20/04/69/442200469.db2.gz BCJWPEOQPMODLF-HNNXBMFYSA-N 2 0 325.478 1.324 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)C[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000167253842 442219699 /nfs/dbraw/zinc/21/96/99/442219699.db2.gz SNLDPKKKMFFYLP-ROUUACIJSA-N 2 0 333.476 1.954 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCOCC2)[C@H](C)C1 ZINC000168289724 442223945 /nfs/dbraw/zinc/22/39/45/442223945.db2.gz VYQQRNWLSNULJU-MSOLQXFVSA-N 2 0 341.540 1.824 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000168708276 442224907 /nfs/dbraw/zinc/22/49/07/442224907.db2.gz DHFDSZSCTLXASJ-ZWKOTPCHSA-N 2 0 331.460 1.345 20 0 EDADRP COC1(C(=O)NC2CC[NH+](Cc3ccsc3)CC2)CC[NH2+]CC1 ZINC000168984665 442225514 /nfs/dbraw/zinc/22/55/14/442225514.db2.gz VCHJBOMDOJZGRD-UHFFFAOYSA-N 2 0 337.489 1.597 20 0 EDADRP COC(=O)[C@H](CC(C)C)NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000177057063 442291753 /nfs/dbraw/zinc/29/17/53/442291753.db2.gz GVHUVYPCYQARSG-KKUMJFAQSA-N 2 0 327.469 1.105 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(S(C)(=O)=O)cc2)[C@H](C)C1 ZINC000153087375 442260451 /nfs/dbraw/zinc/26/04/51/442260451.db2.gz GFAGPBHLXYLPHA-RHSMWYFYSA-N 2 0 340.489 1.789 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000130309411 442343028 /nfs/dbraw/zinc/34/30/28/442343028.db2.gz NSCLEMAAZNIGNV-CRAIPNDOSA-N 2 0 331.460 1.948 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+](C)CCCO)CC1 ZINC000154967451 442367334 /nfs/dbraw/zinc/36/73/34/442367334.db2.gz BSXMUKGVARRGCR-QGZVFWFLSA-N 2 0 340.512 1.349 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000154997219 442370166 /nfs/dbraw/zinc/37/01/66/442370166.db2.gz XCUGPLAWBKZYPM-SFHVURJKSA-N 2 0 344.503 1.916 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000155006981 442370418 /nfs/dbraw/zinc/37/04/18/442370418.db2.gz LNIZTSWKADEKRD-STQMWFEESA-N 2 0 344.301 1.260 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)CC1 ZINC000155748551 442424331 /nfs/dbraw/zinc/42/43/31/442424331.db2.gz FYOWSEDVQAYCRU-CVEARBPZSA-N 2 0 343.479 1.339 20 0 EDADRP CNC(=O)NC(=O)CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000178391229 442429415 /nfs/dbraw/zinc/42/94/15/442429415.db2.gz YQVFXLQRAXVGHV-OAHLLOKOSA-N 2 0 338.496 1.809 20 0 EDADRP COC1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000178670955 442454692 /nfs/dbraw/zinc/45/46/92/442454692.db2.gz AXOQUSQAYSCGDI-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP C[C@H]([NH2+]CCNC(=O)c1ccn[nH]1)c1cccc(OCC[NH+](C)C)c1 ZINC000180224757 442561353 /nfs/dbraw/zinc/56/13/53/442561353.db2.gz IQHGURSIZUACCZ-AWEZNQCLSA-N 2 0 345.447 1.431 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC[NH+](C(C)C)CC2)ncn1 ZINC000180630506 442637735 /nfs/dbraw/zinc/63/77/35/442637735.db2.gz ZYZIWPGWYQLXBL-MRXNPFEDSA-N 2 0 332.496 1.950 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](COC)C2CCOCC2)CC1 ZINC000187956435 442700380 /nfs/dbraw/zinc/70/03/80/442700380.db2.gz HLWUXJRYQTWQES-AEFFLSMTSA-N 2 0 327.513 1.291 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)C1(C)C ZINC000188202539 442723759 /nfs/dbraw/zinc/72/37/59/442723759.db2.gz AQGYYXFDCIZNGI-HDMKZQKVSA-N 2 0 325.497 1.613 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000246585251 442794962 /nfs/dbraw/zinc/79/49/62/442794962.db2.gz CKBAHLQPNIIGED-IAGOWNOFSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000246672749 442800938 /nfs/dbraw/zinc/80/09/38/442800938.db2.gz GKNFLZXXIYLSJW-CABCVRRESA-N 2 0 336.484 1.687 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cccc(C[NH+](C)C)c2)C1 ZINC000265656702 442866361 /nfs/dbraw/zinc/86/63/61/442866361.db2.gz YTGUHVSLVKDOKG-QGZVFWFLSA-N 2 0 334.464 1.268 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@H](C)[C@H]([NH+](C)C)C1 ZINC000268258691 442921732 /nfs/dbraw/zinc/92/17/32/442921732.db2.gz IHPNQSRGKYQQBQ-WMLDXEAASA-N 2 0 346.475 1.404 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC[NH+](C3CC3)CC2)C1 ZINC000194654057 442932360 /nfs/dbraw/zinc/93/23/60/442932360.db2.gz LQZCQRYZHDFXGU-KRWDZBQOSA-N 2 0 338.496 1.223 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)C1(C)C ZINC000249050631 442947134 /nfs/dbraw/zinc/94/71/34/442947134.db2.gz AQGYYXFDCIZNGI-IIDMSEBBSA-N 2 0 325.497 1.613 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000194832190 442960417 /nfs/dbraw/zinc/96/04/17/442960417.db2.gz SCVVWTAUXDORCB-UHFFFAOYSA-N 2 0 347.507 1.185 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCc2ccccc2C1 ZINC000195130039 442987123 /nfs/dbraw/zinc/98/71/23/442987123.db2.gz ZPZPYIIYPOKYFL-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC1(SC)CC1 ZINC000195131174 442987755 /nfs/dbraw/zinc/98/77/55/442987755.db2.gz KPLDHAFMZBHQGP-OAHLLOKOSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000251903095 443019846 /nfs/dbraw/zinc/01/98/46/443019846.db2.gz SOHKARBLVHVIFE-ULQDDVLXSA-N 2 0 345.487 1.347 20 0 EDADRP C[C@@H]([NH2+]CCCNS(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000268750711 443097206 /nfs/dbraw/zinc/09/72/06/443097206.db2.gz JMHJFDJUBFUNEE-CQSZACIVSA-N 2 0 343.493 1.217 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[N@@H+]1CCc2ccccc2C1 ZINC000236684895 443144140 /nfs/dbraw/zinc/14/41/40/443144140.db2.gz OARKXCFDUPWUDI-MSOLQXFVSA-N 2 0 331.460 1.174 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)[NH+]1CCC(C)CC1 ZINC000236726693 443145561 /nfs/dbraw/zinc/14/55/61/443145561.db2.gz JCBKWYXUWVTMBG-IAGOWNOFSA-N 2 0 325.497 1.628 20 0 EDADRP C[C@H]1C[C@H](NCCNS(C)(=O)=O)CC[N@@H+]1Cc1ccccc1 ZINC000268805312 443113730 /nfs/dbraw/zinc/11/37/30/443113730.db2.gz MALSHVIZGJPTPU-GOEBONIOSA-N 2 0 325.478 1.178 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000268807276 443115197 /nfs/dbraw/zinc/11/51/97/443115197.db2.gz LCWPIVREYVMUMY-ZWKOTPCHSA-N 3 0 331.508 1.666 20 0 EDADRP Cc1nn(C)cc1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000268814118 443116315 /nfs/dbraw/zinc/11/63/15/443116315.db2.gz NAOCNIUHGISAQH-MRXNPFEDSA-N 2 0 342.491 1.986 20 0 EDADRP OC1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000238141947 443195453 /nfs/dbraw/zinc/19/54/53/443195453.db2.gz FFAQIQPUTMKBTL-UHFFFAOYSA-N 2 0 334.460 1.792 20 0 EDADRP COCCN1CC[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000268931095 443150448 /nfs/dbraw/zinc/15/04/48/443150448.db2.gz QRQZFUGQCBQVGC-FUHWJXTLSA-N 2 0 335.492 1.998 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH2+]C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000236863593 443150770 /nfs/dbraw/zinc/15/07/70/443150770.db2.gz DEXMIPLHERFDDO-ULQDDVLXSA-N 2 0 341.496 1.008 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185680427 443238358 /nfs/dbraw/zinc/23/83/58/443238358.db2.gz HUWQMKOBUSFGJU-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504227 319112700 /nfs/dbraw/zinc/11/27/00/319112700.db2.gz IGJXYSSVOURJOQ-CQSZACIVSA-N 2 0 342.443 1.436 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000360059657 319116790 /nfs/dbraw/zinc/11/67/90/319116790.db2.gz OGQSEYLJDATUNT-OAHLLOKOSA-N 2 0 326.485 1.080 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000382684014 319124655 /nfs/dbraw/zinc/12/46/55/319124655.db2.gz DHFDSZSCTLXASJ-ROUUACIJSA-N 2 0 331.460 1.345 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)C[C@@H]1COCC[NH2+]1 ZINC000382725163 319125178 /nfs/dbraw/zinc/12/51/78/319125178.db2.gz RKRANAJCPWKXGN-SJLPKXTDSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000397508736 319135353 /nfs/dbraw/zinc/13/53/53/319135353.db2.gz LGIPXHTVCYSPHA-UHFFFAOYSA-N 2 0 341.496 1.680 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000269253941 443252234 /nfs/dbraw/zinc/25/22/34/443252234.db2.gz QWQCROJWLFIFLE-MSOLQXFVSA-N 2 0 331.460 1.536 20 0 EDADRP NC(=O)[C@@]1(O)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411713326 319197956 /nfs/dbraw/zinc/19/79/56/319197956.db2.gz AASQWRSURXDVOK-LJQANCHMSA-N 2 0 331.460 1.485 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414682683 319341616 /nfs/dbraw/zinc/34/16/16/319341616.db2.gz AELBKQAYDVQDTI-RDBSUJKOSA-N 2 0 325.478 1.715 20 0 EDADRP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CC[NH2+]CC2)c1C ZINC000414774812 319343675 /nfs/dbraw/zinc/34/36/75/319343675.db2.gz BSHWEUNTTZTOEC-MRXNPFEDSA-N 2 0 332.492 1.905 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c1C ZINC000415002974 319344798 /nfs/dbraw/zinc/34/47/98/319344798.db2.gz FGEZPIXFGFNFAW-DOTOQJQBSA-N 2 0 334.464 1.541 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC2(C[NH+](C)C)CCCC2)CC1 ZINC000185795409 443258710 /nfs/dbraw/zinc/25/87/10/443258710.db2.gz UUSHYYXSZSVLDD-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000415222713 319353481 /nfs/dbraw/zinc/35/34/81/319353481.db2.gz FOJYRILEJCLYON-ZBFHGGJFSA-N 2 0 344.459 1.430 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000415238556 319355526 /nfs/dbraw/zinc/35/55/26/319355526.db2.gz LSAIXTBLLGKSRF-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC[N@@H+](C2CC2)C1 ZINC000415255170 319357078 /nfs/dbraw/zinc/35/70/78/319357078.db2.gz MDXLPVKQZGEAGO-ZDUSSCGKSA-N 2 0 330.432 1.027 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889599 319382134 /nfs/dbraw/zinc/38/21/34/319382134.db2.gz BQPDNYVGLDNPIM-UHFFFAOYSA-N 2 0 334.464 1.812 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1 ZINC000415999339 319388938 /nfs/dbraw/zinc/38/89/38/319388938.db2.gz VXKLMAFOSCCKRS-ZDUSSCGKSA-N 2 0 332.370 1.827 20 0 EDADRP C[C@H](CN1CCOCC1)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000246138874 443271796 /nfs/dbraw/zinc/27/17/96/443271796.db2.gz RWBMQHMXQMFASX-KURKYZTESA-N 2 0 339.524 1.528 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000185813432 443262930 /nfs/dbraw/zinc/26/29/30/443262930.db2.gz YJCPWEJPHXENHB-IRXDYDNUSA-N 2 0 341.544 1.288 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C[C@H]1[NH+](C)C ZINC000266958569 443303203 /nfs/dbraw/zinc/30/32/03/443303203.db2.gz ZFGJNZGXUNRFJH-IEBWSBKVSA-N 2 0 344.503 1.607 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000264479881 443305759 /nfs/dbraw/zinc/30/57/59/443305759.db2.gz HPGBBIXKHWJTQA-SFHVURJKSA-N 2 0 331.460 1.733 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000416827519 319464534 /nfs/dbraw/zinc/46/45/34/319464534.db2.gz CUTHFWRVQPDWMS-GDBMZVCRSA-N 2 0 334.464 1.869 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(C)CCC[NH2+]C3)nc2)CC1 ZINC000269437760 443310526 /nfs/dbraw/zinc/31/05/26/443310526.db2.gz PMHOLKIYYUBMLZ-IBGZPJMESA-N 2 0 345.491 1.940 20 0 EDADRP COc1cccc([C@H](CNC(=O)N(C)C2CC([NH3+])C2)[NH+]2CCCC2)c1 ZINC000416839167 319465784 /nfs/dbraw/zinc/46/57/84/319465784.db2.gz DBNJQGZJFQNJHL-HTWSVDAQSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417371161 319494994 /nfs/dbraw/zinc/49/49/94/319494994.db2.gz VFOUUPPICLFGTC-LSDHHAIUSA-N 2 0 334.464 1.506 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000264586329 443335932 /nfs/dbraw/zinc/33/59/32/443335932.db2.gz VIMXCJIMIFDNRG-ZWKOTPCHSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000267206454 443377926 /nfs/dbraw/zinc/37/79/26/443377926.db2.gz SRJJYJLHAPZYBX-GFCCVEGCSA-N 2 0 335.452 1.309 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N[C@@H]1CCCC[NH2+]C1)CC(C)C ZINC000419121402 319557729 /nfs/dbraw/zinc/55/77/29/319557729.db2.gz DOLOGGKBLDHRBV-HZPDHXFCSA-N 2 0 340.512 1.117 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@H]2C[NH+](C)CCN2C)c1 ZINC000264760358 443411502 /nfs/dbraw/zinc/41/15/02/443411502.db2.gz LPQYIHFQVHVCBR-SFHVURJKSA-N 2 0 347.507 1.183 20 0 EDADRP C[C@@H]1C[C@H](C)N(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000422552715 319714447 /nfs/dbraw/zinc/71/44/47/319714447.db2.gz IFXVGXFOBCNPLP-YCPHGPKFSA-N 2 0 339.505 1.742 20 0 EDADRP COc1ccc(C(=O)NCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000422947460 319740168 /nfs/dbraw/zinc/74/01/68/319740168.db2.gz QEBIPEPKNUCHAP-KSZLIROESA-N 2 0 331.460 1.935 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O ZINC000423039974 319749103 /nfs/dbraw/zinc/74/91/03/319749103.db2.gz GKOJGFCWOGGZFR-ABAIWWIYSA-N 2 0 343.830 1.928 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)C1 ZINC000423366539 319767497 /nfs/dbraw/zinc/76/74/97/319767497.db2.gz XTGPUNJCUYEVMT-BBRMVZONSA-N 2 0 332.448 1.903 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423368144 319768093 /nfs/dbraw/zinc/76/80/93/319768093.db2.gz DBXPLICHFXKMDY-OAHLLOKOSA-N 2 0 347.507 1.881 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)COC2CC[NH2+]CC2)[NH+]2CCCC2)o1 ZINC000423396426 319771021 /nfs/dbraw/zinc/77/10/21/319771021.db2.gz NVJUSYUWRMBFNT-MRXNPFEDSA-N 2 0 335.448 1.610 20 0 EDADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2O)cc1 ZINC000423396909 319771212 /nfs/dbraw/zinc/77/12/12/319771212.db2.gz BTZQKEWAMRPGBY-JLJPHGGASA-N 2 0 334.464 1.791 20 0 EDADRP [NH3+][C@@H]1C[C@@H](NC[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2ccccc21 ZINC000423402756 319771639 /nfs/dbraw/zinc/77/16/39/319771639.db2.gz XBQUNEUXHZGHOW-RBSFLKMASA-N 2 0 328.382 1.557 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423421893 319773670 /nfs/dbraw/zinc/77/36/70/319773670.db2.gz BFFBSKZNOSMYPO-SFHVURJKSA-N 2 0 346.519 1.855 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423535853 319782315 /nfs/dbraw/zinc/78/23/15/319782315.db2.gz FRMRLOJDVVMRSZ-AWEZNQCLSA-N 2 0 327.428 1.961 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000265140269 443547568 /nfs/dbraw/zinc/54/75/68/443547568.db2.gz VKPWNIHFZKFLSB-SJLPKXTDSA-N 2 0 332.492 1.432 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000432509861 319954894 /nfs/dbraw/zinc/95/48/94/319954894.db2.gz OQFWSBCQUASVHZ-QAPCUYQASA-N 2 0 330.476 1.556 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(O)cc1F ZINC000436867158 320026676 /nfs/dbraw/zinc/02/66/76/320026676.db2.gz AJUARWXASIZGOF-UHFFFAOYSA-N 2 0 325.428 1.877 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000440225300 320065502 /nfs/dbraw/zinc/06/55/02/320065502.db2.gz IOVHFSWAKJYNCS-IRXDYDNUSA-N 2 0 340.512 1.346 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440861346 320084288 /nfs/dbraw/zinc/08/42/88/320084288.db2.gz QNURMCWYODLRNU-GPANFISMSA-N 2 0 326.485 1.127 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442906 320141986 /nfs/dbraw/zinc/14/19/86/320141986.db2.gz SUHSFLPLCBFQHX-QZTJIDSGSA-N 2 0 347.503 1.939 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000449361387 320184370 /nfs/dbraw/zinc/18/43/70/320184370.db2.gz JGJNNOGHFCDRPX-RDJZCZTQSA-N 2 0 325.497 1.900 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)[C@H](C)C1 ZINC000453299175 320262585 /nfs/dbraw/zinc/26/25/85/320262585.db2.gz UEUSLPSNEGFQSR-OWSLCNJRSA-N 2 0 328.497 1.765 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458457509 320337026 /nfs/dbraw/zinc/33/70/26/320337026.db2.gz MPPUAMJZRULLQJ-INIZCTEOSA-N 2 0 326.485 1.007 20 0 EDADRP CSC1(CNC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC[NH+](C)CC1 ZINC000458793420 320341672 /nfs/dbraw/zinc/34/16/72/320341672.db2.gz SLVBISXNCFJFSR-OAHLLOKOSA-N 2 0 342.553 1.845 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccncc1 ZINC000491348464 320368999 /nfs/dbraw/zinc/36/89/99/320368999.db2.gz FXIVFKZOXNTEPB-LKGOPFMKSA-N 2 0 330.476 1.969 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccc(=O)[nH]n1 ZINC000286242017 443675230 /nfs/dbraw/zinc/67/52/30/443675230.db2.gz TYZLWCVBSPLAIJ-AWEZNQCLSA-N 2 0 330.432 1.951 20 0 EDADRP CN(C[C@H]1CC[N@H+](C)C1)C(=O)NCc1ccc(CC[NH+](C)C)cc1 ZINC000276296968 443683026 /nfs/dbraw/zinc/68/30/26/443683026.db2.gz QAQGNIDVYACIEW-SFHVURJKSA-N 2 0 332.492 1.884 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H](c2ccccc2)[C@H]2CCCO2)CC1 ZINC000517922896 320453042 /nfs/dbraw/zinc/45/30/42/320453042.db2.gz YJHWXHZCHOIBNO-QRVBRYPASA-N 2 0 333.476 1.105 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000298591641 443809891 /nfs/dbraw/zinc/80/98/91/443809891.db2.gz ULWYENNRDULXBC-SFHVURJKSA-N 2 0 348.491 1.528 20 0 EDADRP CSC[C@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285248287 443911260 /nfs/dbraw/zinc/91/12/60/443911260.db2.gz AIZARWGFNCTJGE-GOSISDBHSA-N 2 0 337.533 1.460 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000288553112 443916588 /nfs/dbraw/zinc/91/65/88/443916588.db2.gz VTNWKSJPXCQBFI-RDJZCZTQSA-N 2 0 346.475 1.721 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000285383479 443963200 /nfs/dbraw/zinc/96/32/00/443963200.db2.gz ZKMYCUYWJVXOJD-GBESFXJTSA-N 2 0 345.487 1.829 20 0 EDADRP CCC[C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[N@@H+]1CCOC ZINC000285717431 444083675 /nfs/dbraw/zinc/08/36/75/444083675.db2.gz SBFSODMPLDNAJD-KRWDZBQOSA-N 2 0 330.432 1.907 20 0 EDADRP C[C@@H](NCCC[NH+]1CCN(c2ccccc2)CC1)c1nncn1C ZINC000285644722 444058593 /nfs/dbraw/zinc/05/85/93/444058593.db2.gz ODOQCIDKCGSWJB-MRXNPFEDSA-N 2 0 328.464 1.678 20 0 EDADRP Cn1cnc(CC[NH2+]Cc2c[nH]nc2-c2ccc3c(c2)OCCO3)c1 ZINC000562683159 321069775 /nfs/dbraw/zinc/06/97/75/321069775.db2.gz ZMFDWHYHCMOHJT-UHFFFAOYSA-N 2 0 339.399 1.914 20 0 EDADRP CCNC(=O)N1CC[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000562959346 321083676 /nfs/dbraw/zinc/08/36/76/321083676.db2.gz BESFYHNNDQNSJN-QOKNQOGYSA-N 2 0 344.459 1.636 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000563091523 321094606 /nfs/dbraw/zinc/09/46/06/321094606.db2.gz CCQZVTZNZXIBPF-SFHVURJKSA-N 2 0 348.491 1.613 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000563093202 321094694 /nfs/dbraw/zinc/09/46/94/321094694.db2.gz PELNDLWVYKYVER-IRXDYDNUSA-N 2 0 347.507 1.624 20 0 EDADRP CCOc1ccccc1CN1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)[C@@H](C)C1 ZINC000564442831 321131692 /nfs/dbraw/zinc/13/16/92/321131692.db2.gz BDGLVEKUIVCOLV-VPWXQRGCSA-N 2 0 343.471 1.870 20 0 EDADRP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000564910708 321155757 /nfs/dbraw/zinc/15/57/57/321155757.db2.gz LNEAOABUZRYWRM-INIZCTEOSA-N 2 0 347.507 1.474 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000564911126 321156180 /nfs/dbraw/zinc/15/61/80/321156180.db2.gz USANGHOSTVBVOG-SFHVURJKSA-N 2 0 330.476 1.017 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000299592859 444089537 /nfs/dbraw/zinc/08/95/37/444089537.db2.gz WNZJRUIDGLZOSA-IBGZPJMESA-N 2 0 344.503 1.535 20 0 EDADRP C[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000566088828 321214091 /nfs/dbraw/zinc/21/40/91/321214091.db2.gz SDQPBSCNUPYYJT-UONOGXRCSA-N 2 0 331.526 1.557 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)COc1ccccc1 ZINC000566116713 321217300 /nfs/dbraw/zinc/21/73/00/321217300.db2.gz KKQKUOFHYNZFOI-SJLPKXTDSA-N 2 0 334.460 1.517 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C[C@@H]3CCCC[C@H]3[NH3+])CC2)c1 ZINC000566972067 321237592 /nfs/dbraw/zinc/23/75/92/321237592.db2.gz YLHOLDXOPXOMAB-GOEBONIOSA-N 2 0 332.448 1.646 20 0 EDADRP [NH3+][C@H]1CCCC[C@@H]1CC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000567585695 321247166 /nfs/dbraw/zinc/24/71/66/321247166.db2.gz PCCXNPTUDPNVAM-AEFFLSMTSA-N 2 0 337.508 1.997 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000567846963 321262878 /nfs/dbraw/zinc/26/28/78/321262878.db2.gz YDNWDPZQUJUBQY-AJTLQJAISA-N 2 0 339.480 1.018 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C1 ZINC000568288198 321286193 /nfs/dbraw/zinc/28/61/93/321286193.db2.gz XBUSLUJPFYPAGM-RTBURBONSA-N 2 0 344.503 1.944 20 0 EDADRP C[N@H+](CCNC(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2)C1CCCC1 ZINC000568846123 321308122 /nfs/dbraw/zinc/30/81/22/321308122.db2.gz SDDOZPJODRVZLZ-CQSZACIVSA-N 2 0 331.464 1.894 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)COc1cccc2[nH]ccc21 ZINC000569921509 321331756 /nfs/dbraw/zinc/33/17/56/321331756.db2.gz VSDGGEVRPRPDGQ-HOCLYGCPSA-N 2 0 329.444 1.982 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](CC)N1CCO[C@@H](CC)C1 ZINC000571429295 321386729 /nfs/dbraw/zinc/38/67/29/321386729.db2.gz MKGSXDSBOQIWFI-ULQDDVLXSA-N 2 0 325.497 1.866 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000571439312 321386997 /nfs/dbraw/zinc/38/69/97/321386997.db2.gz CYTRABLZEIQHHI-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP COc1c(O)cccc1C[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000289390638 444128172 /nfs/dbraw/zinc/12/81/72/444128172.db2.gz DUQVXGAKTIMJSF-UHFFFAOYSA-N 2 0 333.476 1.860 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000290238808 444257843 /nfs/dbraw/zinc/25/78/43/444257843.db2.gz JCIWJPPNTZRRKU-CVEARBPZSA-N 2 0 333.432 1.220 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc(N3CCSCC3)ncn2)C1 ZINC000302828091 444225923 /nfs/dbraw/zinc/22/59/23/444225923.db2.gz IIWTXMOJJDTEGS-LSDHHAIUSA-N 2 0 333.505 1.950 20 0 EDADRP CC(C)C[C@H](C)N(C)C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303273729 444236002 /nfs/dbraw/zinc/23/60/02/444236002.db2.gz KIGOPZQHKBVOJR-IRXDYDNUSA-N 2 0 341.540 1.904 20 0 EDADRP CCOCCC1(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)CCCC1 ZINC000577366531 321645660 /nfs/dbraw/zinc/64/56/60/321645660.db2.gz WQGNIEGDLORHPP-QGZVFWFLSA-N 2 0 327.513 1.171 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000577384357 321648222 /nfs/dbraw/zinc/64/82/22/321648222.db2.gz VISJMSWPXMMIJU-UHFFFAOYSA-N 2 0 331.460 1.372 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)Cn1cccn1 ZINC000310816971 444293003 /nfs/dbraw/zinc/29/30/03/444293003.db2.gz JEQNRQAXAJGVHC-YSTOQKLRSA-N 2 0 340.471 1.744 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000297517442 444295786 /nfs/dbraw/zinc/29/57/86/444295786.db2.gz VCQBQFSBXOQQPG-INIZCTEOSA-N 2 0 344.463 1.869 20 0 EDADRP O=C(C1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000290589739 444298595 /nfs/dbraw/zinc/29/85/95/444298595.db2.gz OJPAQPSNOXRSHF-OALUTQOASA-N 2 0 327.472 1.967 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cnn(CC(F)F)c1)N1CC[NH+](C)CC1 ZINC000323604764 444343847 /nfs/dbraw/zinc/34/38/47/444343847.db2.gz IYZHIEIWBZUEIR-HNNXBMFYSA-N 2 0 329.439 1.510 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000323859982 444347623 /nfs/dbraw/zinc/34/76/23/444347623.db2.gz QZZRVTGUVBFXNH-ATNYBXOESA-N 2 0 325.497 1.611 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@]2([NH3+])[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000325933507 444371266 /nfs/dbraw/zinc/37/12/66/444371266.db2.gz YLEFIZCOJVXFNU-TXPKVOOTSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3ccc(S(N)(=O)=O)cc32)CN1C1CC1 ZINC000290836141 444328578 /nfs/dbraw/zinc/32/85/78/444328578.db2.gz YBJXMNMOADOGCT-IAISJRAMSA-N 2 0 349.500 1.926 20 0 EDADRP Cc1ccccc1S(=O)(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000321369489 444335641 /nfs/dbraw/zinc/33/56/41/444335641.db2.gz DVVTXDXUKOEIMI-UHFFFAOYSA-N 2 0 339.505 1.642 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)[N@@H+]1CCc2ccccc2C1 ZINC000337794247 444411489 /nfs/dbraw/zinc/41/14/89/444411489.db2.gz DNYNIEIABAUMJA-QYZOEREBSA-N 2 0 345.487 1.692 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000331798250 444487706 /nfs/dbraw/zinc/48/77/06/444487706.db2.gz LWBZZMAELFLKBK-YESZJQIVSA-N 2 0 338.496 1.258 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C[C@H](O)C(F)(F)F)[C@@H](c2ccccc2)C1 ZINC000580064999 322004204 /nfs/dbraw/zinc/00/42/04/322004204.db2.gz FZWFNNBZSAJBEQ-CVEARBPZSA-N 2 0 345.409 1.878 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)Nc2ccc3c(c2F)CC[NH2+]C3)C1 ZINC000580410391 322046642 /nfs/dbraw/zinc/04/66/42/322046642.db2.gz FTYWJKAAZQINBE-ZDUSSCGKSA-N 2 0 336.411 1.314 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(C(=O)c2ccccc2O)CC1 ZINC000580708764 322084928 /nfs/dbraw/zinc/08/49/28/322084928.db2.gz XGBNMLZJDUBSDQ-PBHICJAKSA-N 2 0 331.460 1.975 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000580951435 322116530 /nfs/dbraw/zinc/11/65/30/322116530.db2.gz SCBYREQFTOKUKK-MOPGFXCFSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000581001237 322122527 /nfs/dbraw/zinc/12/25/27/322122527.db2.gz HNPUOOKLQPDZEV-NXHRZFHOSA-N 2 0 345.491 1.106 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)C[N@@H+]3CC[C@@H](C)C3)CCCC2)CC1 ZINC000581021042 322126327 /nfs/dbraw/zinc/12/63/27/322126327.db2.gz QZXPYMRYMMFOEY-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000581188234 322146822 /nfs/dbraw/zinc/14/68/22/322146822.db2.gz UNWJOWVVDCGBLC-GOSISDBHSA-N 2 0 330.476 1.890 20 0 EDADRP CN(CCC[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000581417239 322174537 /nfs/dbraw/zinc/17/45/37/322174537.db2.gz MHHKVAIUMNHZKD-UHFFFAOYSA-N 2 0 332.448 1.071 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CC(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000581423861 322175379 /nfs/dbraw/zinc/17/53/79/322175379.db2.gz PSWUQCAZBXGZCR-INIZCTEOSA-N 2 0 331.460 1.646 20 0 EDADRP COc1ccc(C[C@@H](C)C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000581543717 322189720 /nfs/dbraw/zinc/18/97/20/322189720.db2.gz SFQAIJHHCVRMKW-AEFFLSMTSA-N 2 0 335.492 1.072 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCCc1ccc(OCC[NH+](C)C)cc1 ZINC000581822658 322220743 /nfs/dbraw/zinc/22/07/43/322220743.db2.gz HVEKQUOJSJHECH-LSDHHAIUSA-N 2 0 336.480 1.595 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C[C@H]1[NH3+] ZINC000332312888 444509435 /nfs/dbraw/zinc/50/94/35/444509435.db2.gz TZXQWMHJPQTHDU-JOCBIADPSA-N 2 0 330.476 1.886 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000329554895 444627175 /nfs/dbraw/zinc/62/71/75/444627175.db2.gz GXMZVVGWPCFCTQ-AWEZNQCLSA-N 2 0 326.360 1.152 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000338303454 444620535 /nfs/dbraw/zinc/62/05/35/444620535.db2.gz GWDJUAOQLHHFKR-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP [NH3+][C@@H]1Cc2ccccc2N(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C1 ZINC000333288709 444653811 /nfs/dbraw/zinc/65/38/11/444653811.db2.gz OAVJZSXMOCVJDI-HZPDHXFCSA-N 2 0 325.416 1.338 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)Nc3cnc4c(c3)C[C@H]([NH3+])CC4)[C@H]2C1 ZINC000333306140 444655925 /nfs/dbraw/zinc/65/59/25/444655925.db2.gz KYCQTUXCSVDBFT-MRRJBJDNSA-N 2 0 329.448 1.456 20 0 EDADRP C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1cnn(C)c1 ZINC000341154230 444699856 /nfs/dbraw/zinc/69/98/56/444699856.db2.gz ADGIHPISUUPRCV-OAHLLOKOSA-N 2 0 338.500 1.396 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000333936849 444723102 /nfs/dbraw/zinc/72/31/02/444723102.db2.gz KXRCHTFLOQCURP-MHORFTMASA-N 2 0 328.460 1.750 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CCC(OCC[NH+](C)C)CC2)CC1 ZINC000341214727 444733720 /nfs/dbraw/zinc/73/37/20/444733720.db2.gz PVXUTBZGIUKOEU-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333942912 444725072 /nfs/dbraw/zinc/72/50/72/444725072.db2.gz QKVZIBJTFRXNHM-GJZGRUSLSA-N 2 0 340.537 1.645 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000341213736 444732451 /nfs/dbraw/zinc/73/24/51/444732451.db2.gz OSZASERXLZBURI-IAGOWNOFSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCOC)C1)c1ccccc1 ZINC000341273540 444756865 /nfs/dbraw/zinc/75/68/65/444756865.db2.gz BURVFJFDOHTXPW-QZTJIDSGSA-N 2 0 333.476 1.906 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344143619 444804587 /nfs/dbraw/zinc/80/45/87/444804587.db2.gz QEYJYFKOZZXKKK-MRXNPFEDSA-N 2 0 335.496 1.589 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)C1 ZINC000341407573 444814513 /nfs/dbraw/zinc/81/45/13/444814513.db2.gz MXEDBDZNURQUOG-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP COCC[N@H+](C)CCNC(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000342764437 444854939 /nfs/dbraw/zinc/85/49/39/444854939.db2.gz HRGNUBNWCUAGFR-UHFFFAOYSA-N 2 0 333.476 1.537 20 0 EDADRP COCC[NH+]1CCC(N[C@H](C[NH+](C)C)c2ccc(OC)cc2)CC1 ZINC000342801890 444873148 /nfs/dbraw/zinc/87/31/48/444873148.db2.gz ZZLJKPVPTFJZNM-LJQANCHMSA-N 2 0 335.492 1.998 20 0 EDADRP COC1(CC[NH+]2CCN(C[C@@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC1 ZINC000338969110 444961347 /nfs/dbraw/zinc/96/13/47/444961347.db2.gz OJZLFLUWBBZHTF-GOSISDBHSA-N 2 0 339.524 1.672 20 0 EDADRP Cc1ccc(NC(=O)C(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c(C)n1 ZINC000341833623 445024767 /nfs/dbraw/zinc/02/47/67/445024767.db2.gz HRHDGJIREJKPLB-IIYDPXPESA-N 2 0 344.459 1.826 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@@H]1CCSC1 ZINC000344454425 444983677 /nfs/dbraw/zinc/98/36/77/444983677.db2.gz MNRFKTRGMJYHLN-USXIJHARSA-N 2 0 337.533 1.899 20 0 EDADRP COCCn1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)cn1 ZINC000337245627 445001401 /nfs/dbraw/zinc/00/14/01/445001401.db2.gz HIIBMIMZPXETPL-UHFFFAOYSA-N 2 0 326.404 1.708 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000344546874 445050708 /nfs/dbraw/zinc/05/07/08/445050708.db2.gz SCMZRATXYKGBKS-KRWDZBQOSA-N 2 0 342.528 1.717 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000337560486 445137633 /nfs/dbraw/zinc/13/76/33/445137633.db2.gz SAOXZZKBLHKGFO-FUHWJXTLSA-N 2 0 345.491 1.782 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@H]2CCO[C@@H]2c2ccnn2C)CC1 ZINC000343374851 445212130 /nfs/dbraw/zinc/21/21/30/445212130.db2.gz UTOVTVUYFIEHLL-MJGOQNOKSA-N 2 0 349.523 1.505 20 0 EDADRP CC[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)CCO1 ZINC000346694772 445223349 /nfs/dbraw/zinc/22/33/49/445223349.db2.gz WDKHDIVKYTVZAQ-XDNAFOTISA-N 2 0 337.508 1.772 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000347718889 445245582 /nfs/dbraw/zinc/24/55/82/445245582.db2.gz ASQLMYBWAYXTCG-DLBZAZTESA-N 2 0 349.475 1.891 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC2(C[NH+](C)C)CCCC2)[N@H+](C)C1 ZINC000347957702 445258280 /nfs/dbraw/zinc/25/82/80/445258280.db2.gz KOXXQMQUPVJPBY-HZPDHXFCSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H]([NH2+][C@@H]1COC[C@H]1n1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348516167 445310678 /nfs/dbraw/zinc/31/06/78/445310678.db2.gz QANHKAZBLZYSDO-GDAAHCPNSA-N 2 0 341.459 1.718 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000343640204 445276739 /nfs/dbraw/zinc/27/67/39/445276739.db2.gz LWPQPPSELSTQLA-MOPGFXCFSA-N 2 0 342.487 1.157 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C)N1CCOCC1 ZINC000343654121 445284862 /nfs/dbraw/zinc/28/48/62/445284862.db2.gz NNQIWLPRZATGQX-JYJNAYRXSA-N 2 0 326.485 1.125 20 0 EDADRP CC[C@H](C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[NH+](CC)CC ZINC000343670174 445293227 /nfs/dbraw/zinc/29/32/27/445293227.db2.gz DAKRVSREJUWBQU-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)c2sccc2C[NH+](C)C)[N@H+](C)C1 ZINC000348701325 445349420 /nfs/dbraw/zinc/34/94/20/445349420.db2.gz KADSXCJJNVOMJM-KGLIPLIRSA-N 2 0 325.478 1.601 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000351881827 445353646 /nfs/dbraw/zinc/35/36/46/445353646.db2.gz LEBNMCVWMYKNQV-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(C[NH+]1CCC(OCC2CC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000362418691 445372170 /nfs/dbraw/zinc/37/21/70/445372170.db2.gz IEUMZPFWXNXNFI-UHFFFAOYSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1cccn2c(=O)cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)nc12 ZINC000357079099 445412770 /nfs/dbraw/zinc/41/27/70/445412770.db2.gz COMZIQLNYVZHPE-INIZCTEOSA-N 2 0 326.444 1.824 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000357084364 445417435 /nfs/dbraw/zinc/41/74/35/445417435.db2.gz PWTBEXTWRLTKNE-UHFFFAOYSA-N 2 0 325.840 1.463 20 0 EDADRP COCCO[C@H]1COCC[C@H]1[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000362521982 445422238 /nfs/dbraw/zinc/42/22/38/445422238.db2.gz ADKLNNMLUNRTIB-MSOLQXFVSA-N 2 0 346.431 1.486 20 0 EDADRP CC[N@H+](CCC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1)CC1CC1 ZINC000357092462 445423564 /nfs/dbraw/zinc/42/35/64/445423564.db2.gz YOEUMNPMWNVXPC-CQSZACIVSA-N 2 0 338.496 1.665 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3cc([C@H]4CC[NH2+]C4)n[nH]3)CC2)CC1 ZINC000362553962 445435934 /nfs/dbraw/zinc/43/59/34/445435934.db2.gz RBFOFBCMXZSQDJ-PCKAHOCUSA-N 2 0 345.491 1.823 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000362564232 445441325 /nfs/dbraw/zinc/44/13/25/445441325.db2.gz ISMZFVGPFAWZDO-MRXNPFEDSA-N 2 0 345.491 1.825 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1 ZINC000352052213 445459976 /nfs/dbraw/zinc/45/99/76/445459976.db2.gz IZCZMSFGLCWIAI-IRXDYDNUSA-N 2 0 326.529 1.543 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000352051993 445460318 /nfs/dbraw/zinc/46/03/18/445460318.db2.gz GWMYZNMXIAIIKP-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[NH+](C)CC[C@@H]2C)C1 ZINC000355514321 445466020 /nfs/dbraw/zinc/46/60/20/445466020.db2.gz CPDDDSYVYIIAQR-JKSUJKDBSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000360137678 445589171 /nfs/dbraw/zinc/58/91/71/445589171.db2.gz WDMALKTUGPLZRS-MRXNPFEDSA-N 2 0 341.544 1.383 20 0 EDADRP C[C@@H]1C(=O)CC[C@@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355994516 445562234 /nfs/dbraw/zinc/56/22/34/445562234.db2.gz XFMAERSBVRHBKW-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC[N@@H+]1C ZINC000360044429 445542659 /nfs/dbraw/zinc/54/26/59/445542659.db2.gz FLINGOLFBOAPHE-GJZGRUSLSA-N 2 0 336.480 1.704 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)N[C@@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000355964356 445547617 /nfs/dbraw/zinc/54/76/17/445547617.db2.gz QBCCGCDUECNBLC-KRWDZBQOSA-N 2 0 341.544 1.383 20 0 EDADRP C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000362932385 445615228 /nfs/dbraw/zinc/61/52/28/445615228.db2.gz WKIQJLWIHUDBSR-KRWDZBQOSA-N 2 0 349.475 1.658 20 0 EDADRP CCN(C)C(=O)C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000349784264 445677926 /nfs/dbraw/zinc/67/79/26/445677926.db2.gz PHMRODMSLKNWKN-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356292825 445722129 /nfs/dbraw/zinc/72/21/29/445722129.db2.gz XFNUQRPNNBLBGQ-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349941897 445727905 /nfs/dbraw/zinc/72/79/05/445727905.db2.gz ZRQGCTMRWUZQSX-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN(C)CC[NH+](C(C)C)C(C)C)CC1 ZINC000356350656 445747562 /nfs/dbraw/zinc/74/75/62/445747562.db2.gz RDAVEOUNJVWUOM-UHFFFAOYSA-N 2 0 326.529 1.638 20 0 EDADRP CC(C)c1cc(NC2CCN(CC[NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000361162117 445750574 /nfs/dbraw/zinc/75/05/74/445750574.db2.gz QZWDRRJWPKDXJY-UHFFFAOYSA-N 2 0 334.512 2.104 20 0 EDADRP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)CC2 ZINC000361174816 445752069 /nfs/dbraw/zinc/75/20/69/445752069.db2.gz GNQNCAYRXXEITL-QAPCUYQASA-N 2 0 331.460 1.860 20 0 EDADRP C[C@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)[NH+](C)C1CC1 ZINC000356360988 445752675 /nfs/dbraw/zinc/75/26/75/445752675.db2.gz XPYSZYOBISZWLO-OAHLLOKOSA-N 3 0 339.528 1.137 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000363314337 445762842 /nfs/dbraw/zinc/76/28/42/445762842.db2.gz LKOLTQHFPSGCHY-MSOLQXFVSA-N 2 0 335.492 1.432 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000353810960 445766853 /nfs/dbraw/zinc/76/68/53/445766853.db2.gz MLZZRCDWEQEFDL-WMZOPIPTSA-N 2 0 335.492 1.478 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000350415709 445825848 /nfs/dbraw/zinc/82/58/48/445825848.db2.gz PRRZCFXBLZAMRF-SFHVURJKSA-N 2 0 330.476 1.856 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc2c(c1)COC2 ZINC000361484992 445783062 /nfs/dbraw/zinc/78/30/62/445783062.db2.gz LQGCEHDRGPNGKF-KRWDZBQOSA-N 2 0 347.503 1.758 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCC[NH+](C(C)C)C1)C(C)C ZINC000356549542 445853930 /nfs/dbraw/zinc/85/39/30/445853930.db2.gz NNKARUMAWCWCMN-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)CS(C)(=O)=O ZINC000372942612 445934355 /nfs/dbraw/zinc/93/43/55/445934355.db2.gz CLYTXDQLYGUOQE-HNNXBMFYSA-N 2 0 339.505 1.911 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@H](C)CS(C)(=O)=O)CC2)CC1 ZINC000365970632 445935531 /nfs/dbraw/zinc/93/55/31/445935531.db2.gz IPIZOFYJWCKPIN-INIZCTEOSA-N 2 0 345.553 1.159 20 0 EDADRP Cc1c(C(=O)N2C[C@H]3CCCC[N@H+]3C[C@@H]2C)nnn1C1CC[NH2+]CC1 ZINC000361711796 445893328 /nfs/dbraw/zinc/89/33/28/445893328.db2.gz VJBXUMADHXNOSP-XJKSGUPXSA-N 2 0 346.479 1.210 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000582230674 325802911 /nfs/dbraw/zinc/80/29/11/325802911.db2.gz QRFGUXSOJJEPSS-RCCFBDPRSA-N 2 0 330.476 1.977 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000350949829 445955987 /nfs/dbraw/zinc/95/59/87/445955987.db2.gz LLAKIYNRPOXTIW-AWEZNQCLSA-N 2 0 346.475 1.647 20 0 EDADRP CC[C@@]1(C(=O)Nc2ccc(N3CCC([NH+](C)C)CC3)cn2)CC[NH2+]C1 ZINC000361801316 445957929 /nfs/dbraw/zinc/95/79/29/445957929.db2.gz UNQIDVSXKJBANN-LJQANCHMSA-N 2 0 345.491 1.940 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NC[C@@H](O)C[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000359116658 445960245 /nfs/dbraw/zinc/96/02/45/445960245.db2.gz PWOBXTXFEXJOIX-SZVBFZGTSA-N 2 0 345.487 1.252 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000350980365 445963515 /nfs/dbraw/zinc/96/35/15/445963515.db2.gz HQPQPQMNKFWXDA-ARFHVFGLSA-N 2 0 340.512 1.070 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]([NH3+])CCC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000373057243 445998498 /nfs/dbraw/zinc/99/84/98/445998498.db2.gz JXWAMCVYNHQQRO-PVAVHDDUSA-N 2 0 346.475 1.091 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@@H](C)O)C[C@H]2C)C1 ZINC000354178204 445974569 /nfs/dbraw/zinc/97/45/69/445974569.db2.gz JYKBFHAQCBRSHU-BRWVUGGUSA-N 2 0 340.512 1.061 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000365099896 446023449 /nfs/dbraw/zinc/02/34/49/446023449.db2.gz VSGCDZBZXYHYJF-IFIJOSMWSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CCCC3)C2)C[C@H](C)[N@H+]1CCO ZINC000365106833 446027946 /nfs/dbraw/zinc/02/79/46/446027946.db2.gz DVDHZKURCFXWLP-OWCLPIDISA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000583199190 326025013 /nfs/dbraw/zinc/02/50/13/326025013.db2.gz CGXDCQLPBNYJNI-IAGOWNOFSA-N 2 0 325.497 1.066 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000583386371 326063490 /nfs/dbraw/zinc/06/34/90/326063490.db2.gz UDPYTIFCOZLIPD-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP c1ccc(N2CCC([NH2+]Cc3nnc(C4CC[NH2+]CC4)[nH]3)CC2)nc1 ZINC000583806984 326142751 /nfs/dbraw/zinc/14/27/51/326142751.db2.gz GNVXBVZWBZNSIS-UHFFFAOYSA-N 2 0 341.463 1.425 20 0 EDADRP C[C@@H]1CCCN(C(C)(C)C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000583866866 326155111 /nfs/dbraw/zinc/15/51/11/326155111.db2.gz KHDXZGNKSPJYJR-BDXSIMOUSA-N 2 0 341.540 1.557 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000584290028 326236347 /nfs/dbraw/zinc/23/63/47/326236347.db2.gz XQKWOLGQRSASMT-FDQIELQPSA-N 2 0 335.492 1.367 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000366173081 446060780 /nfs/dbraw/zinc/06/07/80/446060780.db2.gz XOAGEQRHMUCNSL-XWTMOSNGSA-N 2 0 328.497 1.643 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3CC[C@H]([NH+]4CCCC4)C3)n2)CC1 ZINC000369619590 446136683 /nfs/dbraw/zinc/13/66/83/446136683.db2.gz BMDVXWKPHUELEH-INIZCTEOSA-N 2 0 346.479 1.852 20 0 EDADRP C[C@H](CNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C)[NH+]1CCC(C)CC1 ZINC000373434669 446215308 /nfs/dbraw/zinc/21/53/08/446215308.db2.gz IIIGWVUCEBGYSV-YKTARERQSA-N 2 0 337.508 1.756 20 0 EDADRP FC(F)c1ccnc(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000359460664 446237156 /nfs/dbraw/zinc/23/71/56/446237156.db2.gz RGTVBJKLRYHPKE-UHFFFAOYSA-N 2 0 348.401 2.433 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)CC1 ZINC000362238506 446280033 /nfs/dbraw/zinc/28/00/33/446280033.db2.gz QUTHGTIROIDOES-MISYRCLQSA-N 2 0 329.488 1.745 20 0 EDADRP C[C@@H]1CN(C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1c[nH]c2nccnc12 ZINC000365663944 446292887 /nfs/dbraw/zinc/29/28/87/446292887.db2.gz QFUYQCQJKDBNEQ-FVQBIDKESA-N 2 0 329.448 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCSC2)CCN1C1CC[NH+](C)CC1 ZINC000365753613 446328474 /nfs/dbraw/zinc/32/84/74/446328474.db2.gz NQXDXEWGPMQKLN-CABCVRRESA-N 2 0 340.537 1.549 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417501641 446356244 /nfs/dbraw/zinc/35/62/44/446356244.db2.gz JROXDWBJSLWVQL-RTBURBONSA-N 2 0 344.503 1.992 20 0 EDADRP C[N@H+](CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000366801024 446357869 /nfs/dbraw/zinc/35/78/69/446357869.db2.gz VUQHOHOAPPDPBY-UHFFFAOYSA-N 2 0 348.495 2.146 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417511381 446358782 /nfs/dbraw/zinc/35/87/82/446358782.db2.gz YXYGDAUOCDMIEH-GBESFXJTSA-N 2 0 344.503 1.978 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N1CC[NH2+]CC1)c1ccccc1 ZINC000417514907 446359250 /nfs/dbraw/zinc/35/92/50/446359250.db2.gz KIBBCPLZEOACAD-QGZVFWFLSA-N 2 0 334.464 1.311 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC[NH2+]C2CC2)CC1 ZINC000417548460 446364106 /nfs/dbraw/zinc/36/41/06/446364106.db2.gz QTMMHFXIVPUKBX-UHFFFAOYSA-N 2 0 326.485 1.317 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N(C)[C@H](C)C[NH3+])CCCC2)CC1 ZINC000417547236 446364185 /nfs/dbraw/zinc/36/41/85/446364185.db2.gz OCSMCKLCLJBCHK-CQSZACIVSA-N 2 0 326.485 1.399 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417703250 446370740 /nfs/dbraw/zinc/37/07/40/446370740.db2.gz JWDBPEYEVXNKIT-CQSZACIVSA-N 2 0 332.439 1.939 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC([C@@H]2[NH2+]CC2(C)C)CC1 ZINC000417882728 446375539 /nfs/dbraw/zinc/37/55/39/446375539.db2.gz VJMYCTIJXGUYFG-COXVUDFISA-N 2 0 334.508 1.889 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)C1 ZINC000417907421 446382014 /nfs/dbraw/zinc/38/20/14/446382014.db2.gz FAGOMEWWIQQWAS-KGLIPLIRSA-N 2 0 332.439 1.651 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)[C@H](C[NH3+])C1 ZINC000417946017 446394907 /nfs/dbraw/zinc/39/49/07/446394907.db2.gz YLWJGUSKOWMVIE-IXDOHACOSA-N 2 0 340.512 1.645 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C[NH2+]CC2CC2)[C@@H](c2ccccc2)C1 ZINC000370768255 446427448 /nfs/dbraw/zinc/42/74/48/446427448.db2.gz YSJWIQIPFBYMMN-GOSISDBHSA-N 2 0 330.476 1.091 20 0 EDADRP Cc1c(Br)cccc1CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000420287822 446452465 /nfs/dbraw/zinc/45/24/65/446452465.db2.gz GQEIEDRMOHRYCN-UHFFFAOYSA-N 2 0 340.265 1.621 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000418082955 446434114 /nfs/dbraw/zinc/43/41/14/446434114.db2.gz YKPGRKOGYMHBRD-CVEARBPZSA-N 2 0 336.505 1.641 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC3(O)CCC3)CC2)C1 ZINC000411234761 446435575 /nfs/dbraw/zinc/43/55/75/446435575.db2.gz CLIKFWAGLMJUFK-QGZVFWFLSA-N 2 0 325.497 1.018 20 0 EDADRP CCCN(C(=O)NCCN1CC[N@H+](C)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000418179935 446448248 /nfs/dbraw/zinc/44/82/48/446448248.db2.gz YBSYKCRJVIJANY-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000417964037 446401672 /nfs/dbraw/zinc/40/16/72/446401672.db2.gz FLVAWVVBSYDRGO-SFHVURJKSA-N 2 0 331.464 1.678 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)[C@H](C)C[NH2+]1 ZINC000417989372 446409265 /nfs/dbraw/zinc/40/92/65/446409265.db2.gz JKYXJRPYELBLLK-IIDMSEBBSA-N 2 0 346.475 1.145 20 0 EDADRP C[C@H](C[NH3+])NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418006275 446413450 /nfs/dbraw/zinc/41/34/50/446413450.db2.gz ZTLHWDBZLOIPRL-OAHLLOKOSA-N 2 0 334.464 1.350 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000418007765 446413664 /nfs/dbraw/zinc/41/36/64/446413664.db2.gz GOKUKAWGRNZHFH-CVYDXHPNSA-N 2 0 330.476 1.899 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCN1CC[NH2+]CC1)[NH+](C)C ZINC000418186398 446452174 /nfs/dbraw/zinc/45/21/74/446452174.db2.gz RUWVMNQLEWFWLB-SJLPKXTDSA-N 2 0 347.507 1.191 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000411265264 446454294 /nfs/dbraw/zinc/45/42/94/446454294.db2.gz IRGJMMFQEFXBJD-HNNXBMFYSA-N 2 0 332.448 1.746 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000418202985 446455399 /nfs/dbraw/zinc/45/53/99/446455399.db2.gz UVDYPTGAQNGXFY-HNNXBMFYSA-N 2 0 328.501 1.646 20 0 EDADRP CSC1(CNC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)CC[NH+](C)CC1 ZINC000418203924 446457755 /nfs/dbraw/zinc/45/77/55/446457755.db2.gz WSTOHXZGGBPDGG-CQSZACIVSA-N 2 0 326.510 1.350 20 0 EDADRP O=C(CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)N1CCc2ccccc21 ZINC000420306183 446470765 /nfs/dbraw/zinc/47/07/65/446470765.db2.gz AADSASACPGAKFO-KRWDZBQOSA-N 2 0 342.487 1.193 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420311786 446475478 /nfs/dbraw/zinc/47/54/78/446475478.db2.gz ROKMFUAJJYSUAJ-QZTJIDSGSA-N 2 0 332.492 1.479 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000420313841 446478677 /nfs/dbraw/zinc/47/86/77/446478677.db2.gz JKNOJDXRVSGQEJ-SJLPKXTDSA-N 2 0 330.476 1.779 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000418311044 446494727 /nfs/dbraw/zinc/49/47/27/446494727.db2.gz FFPVPFBUWOAXMM-GJZGRUSLSA-N 2 0 326.485 1.135 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCCOc1ccc(F)cc1 ZINC000420327930 446495576 /nfs/dbraw/zinc/49/55/76/446495576.db2.gz LTLMCKQLAHTFHD-HOTGVXAUSA-N 2 0 349.450 1.642 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418335087 446505912 /nfs/dbraw/zinc/50/59/12/446505912.db2.gz YWBUTVDOAMOGHN-QGZVFWFLSA-N 2 0 333.480 1.685 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCOc1ccc(F)cc1 ZINC000420336401 446506417 /nfs/dbraw/zinc/50/64/17/446506417.db2.gz MHNNFSPFDISXGQ-GASCZTMLSA-N 2 0 335.423 1.252 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340459 446507115 /nfs/dbraw/zinc/50/71/15/446507115.db2.gz NQTAOJAIQLBFDT-WBVHZDCISA-N 2 0 331.464 1.439 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NC[C@@H]2C[NH2+]CCCO2)cc1 ZINC000418353408 446510308 /nfs/dbraw/zinc/51/03/08/446510308.db2.gz NJMNSTMWOMVJES-DLBZAZTESA-N 2 0 334.464 1.488 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)CCCN1CC(F)(F)F ZINC000420339909 446511122 /nfs/dbraw/zinc/51/11/22/446511122.db2.gz ZIORPQLBISIWDW-MELADBBJSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CCC[NH2+]C1 ZINC000418354486 446511729 /nfs/dbraw/zinc/51/17/29/446511729.db2.gz WKKOYHRPFSWCBC-RAXXDENGSA-N 2 0 334.508 1.827 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420341814 446513286 /nfs/dbraw/zinc/51/32/86/446513286.db2.gz QHWGLYMAOPLERK-AEGPPILISA-N 2 0 330.432 1.044 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418361455 446515307 /nfs/dbraw/zinc/51/53/07/446515307.db2.gz KYBCWHLJSGIAFO-CGTJXYLNSA-N 2 0 348.491 1.024 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420383524 446558592 /nfs/dbraw/zinc/55/85/92/446558592.db2.gz QWYAFUNLMZPWIZ-SJLPKXTDSA-N 2 0 325.497 1.853 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418493374 446565725 /nfs/dbraw/zinc/56/57/25/446565725.db2.gz WFMNDUQYDAYQSG-PKOBYXMFSA-N 2 0 344.459 1.451 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CCCC[NH2+]C2)C1 ZINC000418372505 446519161 /nfs/dbraw/zinc/51/91/61/446519161.db2.gz TWBCRJXFKVABNQ-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423404854 446519690 /nfs/dbraw/zinc/51/96/90/446519690.db2.gz ZJNFOCCFIQQEET-INMHGKMJSA-N 2 0 333.480 1.800 20 0 EDADRP C[C@@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[N@H+](C)Cc1ccccc1 ZINC000423407626 446521955 /nfs/dbraw/zinc/52/19/55/446521955.db2.gz MUSXMHDCZXTVAL-HNNXBMFYSA-N 2 0 344.463 1.267 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420346891 446522159 /nfs/dbraw/zinc/52/21/59/446522159.db2.gz ZJVUGFAQCKLUNN-IAGOWNOFSA-N 2 0 345.487 1.975 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1C(=O)NCC1([NH+]2CCCCC2)CCOCC1 ZINC000423417583 446525521 /nfs/dbraw/zinc/52/55/21/446525521.db2.gz GZZFUYSRTFODDD-INIZCTEOSA-N 2 0 337.508 1.916 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000423423616 446530076 /nfs/dbraw/zinc/53/00/76/446530076.db2.gz ZWXQZRQJRMQFSI-JKSUJKDBSA-N 2 0 345.491 1.871 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000423426370 446531107 /nfs/dbraw/zinc/53/11/07/446531107.db2.gz HRXJUALGTXDDID-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN[C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420352825 446532151 /nfs/dbraw/zinc/53/21/51/446532151.db2.gz AYBXVOOBTFOWCA-IRXDYDNUSA-N 2 0 332.492 1.383 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000423427986 446532716 /nfs/dbraw/zinc/53/27/16/446532716.db2.gz RASRJCOTNBRCPC-TYNCELHUSA-N 2 0 339.461 1.138 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423428237 446533442 /nfs/dbraw/zinc/53/34/42/446533442.db2.gz OENAXCHGGMSSSN-HUUCEWRRSA-N 2 0 333.480 1.871 20 0 EDADRP Cc1cc(NC(=O)C(=O)N(C)CC[N@H+](C)C2CC2)ccc1C[NH+](C)C ZINC000411421111 446533733 /nfs/dbraw/zinc/53/37/33/446533733.db2.gz VIETVFFEZDFNNT-UHFFFAOYSA-N 2 0 346.475 1.548 20 0 EDADRP CCc1nccn1[C@@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433144048 446537050 /nfs/dbraw/zinc/53/70/50/446537050.db2.gz AYAPECNWMMJMGW-QGZVFWFLSA-N 2 0 347.507 1.812 20 0 EDADRP Cn1c2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc2oc1=O ZINC000433150869 446537464 /nfs/dbraw/zinc/53/74/64/446537464.db2.gz MIMFKFOIKYXNFK-UHFFFAOYSA-N 2 0 332.404 1.273 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000418453352 446549346 /nfs/dbraw/zinc/54/93/46/446549346.db2.gz OZQQUWMLYDXLFH-IRXDYDNUSA-N 2 0 334.464 1.078 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371843 446550786 /nfs/dbraw/zinc/55/07/86/446550786.db2.gz DPDQZOPCJQKDPH-FUMNGEBKSA-N 3 0 347.503 1.136 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3C[C@H](C)[C@H]([NH3+])C3)CC2)cc1 ZINC000420372411 446551768 /nfs/dbraw/zinc/55/17/68/446551768.db2.gz MFZDSPTVNCNSCN-PKOBYXMFSA-N 2 0 344.503 1.308 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433338104 446556020 /nfs/dbraw/zinc/55/60/20/446556020.db2.gz FPBAYTBMYPFFPV-INIZCTEOSA-N 2 0 328.501 1.518 20 0 EDADRP COCC[NH2+]CCNC(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418503744 446569986 /nfs/dbraw/zinc/56/99/86/446569986.db2.gz YQSQDNZLNRMUDM-GOSISDBHSA-N 2 0 348.491 1.386 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000420396737 446570566 /nfs/dbraw/zinc/57/05/66/446570566.db2.gz WHYZAJRXFIMZPX-CWRNSKLLSA-N 2 0 325.497 1.898 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420399125 446572979 /nfs/dbraw/zinc/57/29/79/446572979.db2.gz ZQVOOXHRKNAHCV-YSVLISHTSA-N 2 0 325.497 1.898 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCC2(C)CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000418517606 446576728 /nfs/dbraw/zinc/57/67/28/446576728.db2.gz LGCVRMHKMWWTIU-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433467304 446579847 /nfs/dbraw/zinc/57/98/47/446579847.db2.gz QKQHFWSMPBOVKC-LJQANCHMSA-N 2 0 341.540 1.510 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000418530111 446583714 /nfs/dbraw/zinc/58/37/14/446583714.db2.gz ALFJCGSJQRLECH-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C[C@H]1C[NH3+] ZINC000420412038 446584786 /nfs/dbraw/zinc/58/47/86/446584786.db2.gz RZFHIORUYLXNBF-GOEBONIOSA-N 2 0 332.448 1.319 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000418552266 446590439 /nfs/dbraw/zinc/59/04/39/446590439.db2.gz BQSYFCDKWITSIQ-PBHICJAKSA-N 2 0 334.464 1.883 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000418564822 446597003 /nfs/dbraw/zinc/59/70/03/446597003.db2.gz UYDYGAJEFPYUBP-COXVUDFISA-N 2 0 334.464 1.567 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418574896 446600794 /nfs/dbraw/zinc/60/07/94/446600794.db2.gz MOOBHSTVJCCZPU-MJGOQNOKSA-N 2 0 346.475 1.065 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418574411 446600840 /nfs/dbraw/zinc/60/08/40/446600840.db2.gz VIXVSJXNGRVCGU-PCVQNBPASA-N 2 0 326.391 1.445 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418593584 446606500 /nfs/dbraw/zinc/60/65/00/446606500.db2.gz MHGJPICGZPYBMS-HZPDHXFCSA-N 2 0 326.485 1.256 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000418659152 446637567 /nfs/dbraw/zinc/63/75/67/446637567.db2.gz XAAGBYRDLZSNHC-KRWDZBQOSA-N 2 0 348.491 1.347 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)C[C@@H]1CCCCC1(F)F ZINC000420460165 446639456 /nfs/dbraw/zinc/63/94/56/446639456.db2.gz RUHSLBGJSGLVFW-LBPRGKRZSA-N 2 0 327.441 1.141 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000418667639 446641373 /nfs/dbraw/zinc/64/13/73/446641373.db2.gz HKJPYZSTDNQTGC-QZTJIDSGSA-N 2 0 348.491 1.613 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000368101783 446642151 /nfs/dbraw/zinc/64/21/51/446642151.db2.gz LKMCJONWXMXFNU-TZMCWYRMSA-N 2 0 348.472 1.868 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N(Cc1ccncc1)C[C@H]1CCC[N@@H+]1CC ZINC000418707280 446654853 /nfs/dbraw/zinc/65/48/53/446654853.db2.gz GGDYBSUOCLGJOS-DLBZAZTESA-N 2 0 333.480 1.815 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000418758653 446677425 /nfs/dbraw/zinc/67/74/25/446677425.db2.gz FPAGKBZFQZIEEG-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)cc1 ZINC000423729546 446664447 /nfs/dbraw/zinc/66/44/47/446664447.db2.gz MPBGDDCDLOMNSR-DLBZAZTESA-N 2 0 331.460 1.857 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2C[NH2+]CCC2(F)F)o1 ZINC000418748781 446667784 /nfs/dbraw/zinc/66/77/84/446667784.db2.gz LHKRZLBDSXQVEH-CQSZACIVSA-N 2 0 344.406 1.658 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000423734900 446667889 /nfs/dbraw/zinc/66/78/89/446667889.db2.gz BNBDXCJXNPNQCE-ICSRJNTNSA-N 2 0 344.503 1.489 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418749014 446668555 /nfs/dbraw/zinc/66/85/55/446668555.db2.gz LQCZFFBXRIIRPW-AWEZNQCLSA-N 2 0 341.406 1.152 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCC[NH2+]1 ZINC000418636554 446626782 /nfs/dbraw/zinc/62/67/82/446626782.db2.gz MGPYZWAVXIEECM-SJLPKXTDSA-N 2 0 334.464 1.534 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C[C@@H]1C ZINC000418646986 446630097 /nfs/dbraw/zinc/63/00/97/446630097.db2.gz XTACDDDAJAMOAS-RLFYNMQTSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCn2cc(CO)nn2)CC1 ZINC000368083682 446631155 /nfs/dbraw/zinc/63/11/55/446631155.db2.gz OGXGWXPAMMRNAV-MAUKXSAKSA-N 2 0 335.496 1.793 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000423768064 446694256 /nfs/dbraw/zinc/69/42/56/446694256.db2.gz ZRWPUAIPDVMIFG-OALUTQOASA-N 2 0 344.503 1.185 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000423752269 446681667 /nfs/dbraw/zinc/68/16/67/446681667.db2.gz VWZTYSIHBGGJFQ-OIJIEPSESA-N 2 0 337.508 1.756 20 0 EDADRP Cc1ccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371294607 446750302 /nfs/dbraw/zinc/75/03/02/446750302.db2.gz LWRBRYANNUUKLN-IZBJGVDFSA-N 2 0 348.487 1.918 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)COCc1ccccc1 ZINC000371296334 446751692 /nfs/dbraw/zinc/75/16/92/446751692.db2.gz YRXVCHHJJLVJBH-IYWMVGAKSA-N 2 0 348.487 1.748 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCN1CCN(c2nnnn2-c2ccccc2)CC1 ZINC000371321404 446773118 /nfs/dbraw/zinc/77/31/18/446773118.db2.gz QFAWFMYLOLIJQK-MRXNPFEDSA-N 2 0 341.463 1.269 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(c3cc(N4CCCC4)ncn3)CC2)C1 ZINC000375426690 446791143 /nfs/dbraw/zinc/79/11/43/446791143.db2.gz ODJVVEQRWGRWGG-MRXNPFEDSA-N 2 0 330.480 1.293 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cc(F)c(F)c(F)c2)CC1 ZINC000423884621 446741500 /nfs/dbraw/zinc/74/15/00/446741500.db2.gz YWNJNKQLSRMSDB-UHFFFAOYSA-N 2 0 343.393 1.966 20 0 EDADRP C[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000424016061 446823767 /nfs/dbraw/zinc/82/37/67/446823767.db2.gz BBMZXSPLSWWLHG-LJQANCHMSA-N 3 0 344.503 1.486 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)CC[NH+](Cc2ccccc2)CC1 ZINC000424017003 446824892 /nfs/dbraw/zinc/82/48/92/446824892.db2.gz FFLTWKCWGZVOKO-IEBWSBKVSA-N 3 0 342.487 1.096 20 0 EDADRP CCC(CC)(CNC(=O)C(=O)N(C)CC[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000418960982 446829738 /nfs/dbraw/zinc/82/97/38/446829738.db2.gz JLDCBKXFHNLPBQ-OAHLLOKOSA-N 2 0 348.491 1.429 20 0 EDADRP Cc1cc(CCNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)on1 ZINC000376990675 446845039 /nfs/dbraw/zinc/84/50/39/446845039.db2.gz DRLUXZWDYCEUDW-MRXNPFEDSA-N 2 0 349.479 1.335 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NC[C@@H]2CN(C3CC3)CCO2)cc1 ZINC000368355719 446808028 /nfs/dbraw/zinc/80/80/28/446808028.db2.gz QZHXFSCLLSWYEU-QGZVFWFLSA-N 2 0 332.448 1.215 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424372137 446867236 /nfs/dbraw/zinc/86/72/36/446867236.db2.gz VXTQOVJEBALMIC-NUEKZKHPSA-N 2 0 339.480 1.426 20 0 EDADRP CS(=O)(=O)CCCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000424385923 446868358 /nfs/dbraw/zinc/86/83/58/446868358.db2.gz WYDLTJKVUJLFLC-NVXWUHKLSA-N 2 0 338.473 1.657 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)C(=O)N2CCCC[C@H]2C[NH3+])c1 ZINC000419028668 446873836 /nfs/dbraw/zinc/87/38/36/446873836.db2.gz RGFGFGLZPFHJRU-KRWDZBQOSA-N 2 0 346.475 1.094 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000424454904 446875020 /nfs/dbraw/zinc/87/50/20/446875020.db2.gz MRBKCVSNLFPPIG-DOMZBBRYSA-N 2 0 330.432 1.134 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000377036074 446875820 /nfs/dbraw/zinc/87/58/20/446875820.db2.gz WRIQUCGLABVIAS-HOJAQTOUSA-N 2 0 349.567 1.560 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000412316977 446931537 /nfs/dbraw/zinc/93/15/37/446931537.db2.gz ODJIJARBWINRGV-KRWDZBQOSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)C[N@@H+]1C1CC1 ZINC000371885229 446972404 /nfs/dbraw/zinc/97/24/04/446972404.db2.gz ATICNIUNANCJTK-WBOSRHFRSA-N 2 0 332.492 1.737 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1F ZINC000442784967 446968150 /nfs/dbraw/zinc/96/81/50/446968150.db2.gz SRDVMOVKPWUOFB-YDHLFZDLSA-N 2 0 337.439 1.850 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)C(=O)NCCC[NH3+] ZINC000419196393 447005493 /nfs/dbraw/zinc/00/54/93/447005493.db2.gz ATXFHBWDALLWKO-HNNXBMFYSA-N 2 0 346.475 1.142 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@H]([NH3+])[C@H](c3ccc(F)cc3)C2)C1(C)C ZINC000372495837 447088596 /nfs/dbraw/zinc/08/85/96/447088596.db2.gz ISAGCNBVHAZOAW-GGXPGOJBSA-N 2 0 349.450 1.611 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COC(C)(C)C)C2)CC1 ZINC000375906464 447136249 /nfs/dbraw/zinc/13/62/49/447136249.db2.gz PGTPXAZJPGFTHA-IRXDYDNUSA-N 2 0 327.513 1.263 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(C[NH+](C)C)cc2)[C@@H](C)C[N@@H+]1CCO ZINC000419394738 447148459 /nfs/dbraw/zinc/14/84/59/447148459.db2.gz AJJSTXOKUPATDV-CVEARBPZSA-N 2 0 348.491 1.345 20 0 EDADRP c1ccc(N2CC[C@H](Nc3nccc(N[C@@H]4CCCOC4)n3)C2)nc1 ZINC000372573806 447153164 /nfs/dbraw/zinc/15/31/64/447153164.db2.gz WKURDCXTALMRDG-LSDHHAIUSA-N 2 0 340.431 2.153 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NCC[NH+]2CCC(C)CC2)cc1 ZINC000419415996 447162065 /nfs/dbraw/zinc/16/20/65/447162065.db2.gz VPDFRLGTRAXHPL-OAHLLOKOSA-N 2 0 346.475 1.171 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)OC(C)(C)C)C2)CC1 ZINC000375902779 447135016 /nfs/dbraw/zinc/13/50/16/447135016.db2.gz GKFWCKJVJYWZLY-INIZCTEOSA-N 2 0 325.497 1.819 20 0 EDADRP C[C@H](CNC(=O)N1C[C@H](C)[N@H+](CCO)C[C@@H]1C)C[NH+]1CCCCC1 ZINC000419428701 447168782 /nfs/dbraw/zinc/16/87/82/447168782.db2.gz RDZMHAXAENYFJO-IKGGRYGDSA-N 2 0 340.512 1.205 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000368980883 447244108 /nfs/dbraw/zinc/24/41/08/447244108.db2.gz MVADVBFEHKJRGZ-DLBZAZTESA-N 2 0 338.496 1.103 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000415492017 447475909 /nfs/dbraw/zinc/47/59/09/447475909.db2.gz SWTDZCMDAXNFOS-INIZCTEOSA-N 2 0 348.491 1.827 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CCC[C@H]2C[NH3+])cc1 ZINC000415492896 447476914 /nfs/dbraw/zinc/47/69/14/447476914.db2.gz XRXFYJPCHAOWOE-INIZCTEOSA-N 2 0 332.448 1.417 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C)[NH+]1CCCC1 ZINC000419976021 447525760 /nfs/dbraw/zinc/52/57/60/447525760.db2.gz BCXRXIUNTUEKJS-JKSUJKDBSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H]1C[NH+](CCC2CC[NH+](CCC(=O)N(C)C)CC2)C[C@H](C)O1 ZINC000426809938 447503026 /nfs/dbraw/zinc/50/30/26/447503026.db2.gz GWFROYDWKSTOKA-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@]1(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCCC[NH2+]1 ZINC000390924634 447506706 /nfs/dbraw/zinc/50/67/06/447506706.db2.gz IWOSQKKZRFTOPL-ICSRJNTNSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000390906466 447507297 /nfs/dbraw/zinc/50/72/97/447507297.db2.gz SCWXMADHZYPSPH-CGTJXYLNSA-N 2 0 331.460 1.392 20 0 EDADRP CS[C@@H]1CN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000416185827 447534280 /nfs/dbraw/zinc/53/42/80/447534280.db2.gz XILXFTRHEBUJRT-QZTJIDSGSA-N 2 0 347.528 1.939 20 0 EDADRP Cc1cc(CNC(=O)C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)cc(C)n1 ZINC000422428840 447546918 /nfs/dbraw/zinc/54/69/18/447546918.db2.gz GFWWWYQMQZFHKA-KRWDZBQOSA-N 2 0 344.459 1.448 20 0 EDADRP CN1CCO[C@H]2CCN(C(=O)C[C@H](c3ccccc3)[NH+](C)C)C[C@H]21 ZINC000416236985 447546884 /nfs/dbraw/zinc/54/68/84/447546884.db2.gz APNZXWYZYMUMRA-KURKYZTESA-N 2 0 331.460 1.611 20 0 EDADRP CC(C)C[C@@H](CNC(=O)C(=O)N[C@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000420020528 447550569 /nfs/dbraw/zinc/55/05/69/447550569.db2.gz FRBPKKOXYZYBTM-INMHGKMJSA-N 2 0 348.491 1.332 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CCC1 ZINC000399055322 447561199 /nfs/dbraw/zinc/56/11/99/447561199.db2.gz XAQOFFYZWDXBJB-MSOLQXFVSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)C[C@@H]1C[NH3+] ZINC000416826976 447692731 /nfs/dbraw/zinc/69/27/31/447692731.db2.gz CIIABPCQKLLZLQ-NJAFHUGGSA-N 2 0 332.492 1.786 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000416870654 447700708 /nfs/dbraw/zinc/70/07/08/447700708.db2.gz OJWUUBGWMHFAON-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP O=C1O[C@]2(CN1CN1CC[C@H]([NH+]3CCCCC3)C1)C[NH+]1CCC2CC1 ZINC000495961387 447677979 /nfs/dbraw/zinc/67/79/79/447677979.db2.gz LBIMCCXCRAOKIW-HKUYNNGSSA-N 2 0 348.491 1.421 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000457989148 447690950 /nfs/dbraw/zinc/69/09/50/447690950.db2.gz RBMBZIVMKDENEG-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)[C@H]1SC ZINC000459597234 447717942 /nfs/dbraw/zinc/71/79/42/447717942.db2.gz VVHZGRUGDRUGIS-ZMSDIMECSA-N 2 0 343.537 1.477 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[NH+]1CCN(C)CC1 ZINC000416944712 447720169 /nfs/dbraw/zinc/72/01/69/447720169.db2.gz DOCHQZNLKOMFKJ-ZACQAIPSSA-N 2 0 339.528 1.170 20 0 EDADRP CCCN(C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000416947245 447721132 /nfs/dbraw/zinc/72/11/32/447721132.db2.gz PEHAWWBOMOBXBE-HRCADAONSA-N 2 0 326.485 1.269 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@H]2CCC[C@H]2[NH3+])s1 ZINC000422714140 447724908 /nfs/dbraw/zinc/72/49/08/447724908.db2.gz KRFTXADGVFFLGV-KGLIPLIRSA-N 2 0 345.534 1.791 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000416956942 447725749 /nfs/dbraw/zinc/72/57/49/447725749.db2.gz WSSYFFDPURDVCV-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000458142932 447726587 /nfs/dbraw/zinc/72/65/87/447726587.db2.gz BPYQIPHEYFQHIK-QGZVFWFLSA-N 2 0 340.512 1.397 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@H]1CCC[NH2+]1 ZINC000422720603 447727311 /nfs/dbraw/zinc/72/73/11/447727311.db2.gz SUKCFLMPBKBPGZ-IAGOWNOFSA-N 3 0 332.496 1.109 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC1(C)CC[NH2+]CC1)[NH+]1CCOCC1 ZINC000416957838 447727780 /nfs/dbraw/zinc/72/77/80/447727780.db2.gz OKOFPUNYZXBGBG-INIZCTEOSA-N 2 0 340.512 1.565 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H](C[NH3+])C1 ZINC000417014801 447730065 /nfs/dbraw/zinc/73/00/65/447730065.db2.gz DYEUZRRAWWADNR-YYIAUSFCSA-N 2 0 340.512 1.502 20 0 EDADRP C[C@H](CCC[NH3+])[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422732482 447731695 /nfs/dbraw/zinc/73/16/95/447731695.db2.gz OOIIKJVNMVSSIS-LLVKDONJSA-N 2 0 328.254 1.896 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCN1CCOCC1 ZINC000422736145 447733146 /nfs/dbraw/zinc/73/31/46/447733146.db2.gz XMGCBPVQEGPUEL-MJGOQNOKSA-N 2 0 331.460 1.554 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000422743131 447736111 /nfs/dbraw/zinc/73/61/11/447736111.db2.gz QYCLFNKXEKLHIA-OAHLLOKOSA-N 3 0 333.524 1.773 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N2CCOCC2)cc1OC ZINC000422762568 447743727 /nfs/dbraw/zinc/74/37/27/447743727.db2.gz IIESFGUQKVXUSB-ULQDDVLXSA-N 2 0 349.475 1.547 20 0 EDADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)CN1CCOCC1 ZINC000422769422 447745459 /nfs/dbraw/zinc/74/54/59/447745459.db2.gz SWUYTXBZUFBPJO-IMFGXOCKSA-N 2 0 345.487 1.800 20 0 EDADRP O=C(C[N@@H+]1CC2(CCC2)[C@H]2COC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459713414 447749742 /nfs/dbraw/zinc/74/97/42/447749742.db2.gz KYCYUDYBMITILM-DLBZAZTESA-N 2 0 333.476 1.230 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786614 447750620 /nfs/dbraw/zinc/75/06/20/447750620.db2.gz KWCIKHXHOWQXSN-NWDGAFQWSA-N 2 0 332.366 1.934 20 0 EDADRP O=C1COc2ccccc2N1CCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000422917255 447772668 /nfs/dbraw/zinc/77/26/68/447772668.db2.gz FRVFWHLVTRXVJR-PKOBYXMFSA-N 2 0 345.443 1.159 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1OCC(N)=O ZINC000422941670 447777055 /nfs/dbraw/zinc/77/70/55/447777055.db2.gz VICRLFRUPNYQOH-OWCLPIDISA-N 2 0 347.459 1.570 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@@H]([NH3+])C1 ZINC000430593894 447782580 /nfs/dbraw/zinc/78/25/80/447782580.db2.gz PTPDKPDDWWRWEB-DOTOQJQBSA-N 2 0 330.476 1.189 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000430791633 447785508 /nfs/dbraw/zinc/78/55/08/447785508.db2.gz NWXNUMDENKGXPA-QGZVFWFLSA-N 2 0 349.450 1.927 20 0 EDADRP CC(C)C(=O)NCCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423016063 447791283 /nfs/dbraw/zinc/79/12/83/447791283.db2.gz SGEYZYQYXYRQQP-LPHOPBHVSA-N 2 0 331.460 1.994 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)ccn1 ZINC000423023911 447793272 /nfs/dbraw/zinc/79/32/72/447793272.db2.gz KSURIBLKFPKTOR-RCCFBDPRSA-N 2 0 348.491 1.269 20 0 EDADRP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCN(c2cccnn2)CC1 ZINC000423077148 447799766 /nfs/dbraw/zinc/79/97/66/447799766.db2.gz SQHNXXUMRACNQK-QAPCUYQASA-N 2 0 325.460 1.994 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423094831 447803619 /nfs/dbraw/zinc/80/36/19/447803619.db2.gz CUPZKJCYOPKLLL-BXUZGUMPSA-N 2 0 347.431 1.350 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])C2=O)c(OC)c1 ZINC000423099838 447804560 /nfs/dbraw/zinc/80/45/60/447804560.db2.gz BBQOELAQWWGGOM-YOEHRIQHSA-N 2 0 349.475 1.912 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496641280 447839113 /nfs/dbraw/zinc/83/91/13/447839113.db2.gz FHRYKYSZCJXGJA-MAUKXSAKSA-N 2 0 343.512 1.830 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000496708790 447852921 /nfs/dbraw/zinc/85/29/21/447852921.db2.gz MJRWBPVUMCTWRX-UHFFFAOYSA-N 2 0 342.528 1.859 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000522829865 447858763 /nfs/dbraw/zinc/85/87/63/447858763.db2.gz LQXRUXYGFOOPSK-GOSISDBHSA-N 2 0 330.476 1.896 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000477879727 447820993 /nfs/dbraw/zinc/82/09/93/447820993.db2.gz OSGGCZOMHPRMMB-ZACQAIPSSA-N 2 0 340.512 1.659 20 0 EDADRP CN(C)[C@H](CNC(=O)c1ccc(-n2ccnc2)nn1)c1ccco1 ZINC000522953870 447865704 /nfs/dbraw/zinc/86/57/04/447865704.db2.gz GRDLJQLIBQQIPY-CYBMUJFWSA-N 2 0 326.360 1.288 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)NCCC[NH2+]C1CC1 ZINC000575752548 447890545 /nfs/dbraw/zinc/89/05/45/447890545.db2.gz NMEMCHSVDVOJFW-UHFFFAOYSA-N 2 0 344.503 1.847 20 0 EDADRP CC1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]CC1 ZINC000569793989 447891195 /nfs/dbraw/zinc/89/11/95/447891195.db2.gz OVMMFOHHYZYPOM-UHFFFAOYSA-N 2 0 345.491 1.987 20 0 EDADRP CN1C(=O)CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802163 447900915 /nfs/dbraw/zinc/90/09/15/447900915.db2.gz GXUHOQMIECBLIF-IAGOWNOFSA-N 2 0 341.455 1.921 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000569720401 447877161 /nfs/dbraw/zinc/87/71/61/447877161.db2.gz CCXABTMWRSLULR-ZOBUZTSGSA-N 2 0 325.497 1.661 20 0 EDADRP COCC[NH+]1CCC(NC(=O)Nc2cnc3c(c2)C[C@@H]([NH3+])CC3)CC1 ZINC000575895836 447924885 /nfs/dbraw/zinc/92/48/85/447924885.db2.gz LPQJHCKUXBLKFF-AWEZNQCLSA-N 2 0 347.463 1.130 20 0 EDADRP C[C@@H](Oc1ccc2c(c1)CCC2)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530641772 447931562 /nfs/dbraw/zinc/93/15/62/447931562.db2.gz IWFHWUNVTCTEHQ-MRXNPFEDSA-N 2 0 347.503 1.894 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCN2CCCO)C1 ZINC000497186900 447937143 /nfs/dbraw/zinc/93/71/43/447937143.db2.gz MCENTRHQUDXKNA-HUUCEWRRSA-N 2 0 327.469 1.432 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000530912920 447983563 /nfs/dbraw/zinc/98/35/63/447983563.db2.gz CDVZSNQADPAJKO-NSHGMRRFSA-N 2 0 345.487 1.612 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccccc1-n1cccn1 ZINC000553285322 447984470 /nfs/dbraw/zinc/98/44/70/447984470.db2.gz WKCBRWHSYUJZFX-DLBZAZTESA-N 2 0 343.475 1.131 20 0 EDADRP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000570502646 448028597 /nfs/dbraw/zinc/02/85/97/448028597.db2.gz IBZOJDGNKLDGNH-AEFFLSMTSA-N 2 0 346.475 1.392 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000576463021 448061771 /nfs/dbraw/zinc/06/17/71/448061771.db2.gz FBCUKMXCAABJTN-ONIAQPFYSA-N 2 0 348.491 1.294 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000554621032 448044835 /nfs/dbraw/zinc/04/48/35/448044835.db2.gz SRXOGIRCAXVWMW-KRWDZBQOSA-N 2 0 335.448 1.460 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000570832402 448071916 /nfs/dbraw/zinc/07/19/16/448071916.db2.gz RHUBDAJPKOFEPF-OKYOBFRVSA-N 2 0 342.487 1.302 20 0 EDADRP [NH3+][C@H]1C[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000576519659 448073999 /nfs/dbraw/zinc/07/39/99/448073999.db2.gz FJDYSYBYQYWRMM-GASCZTMLSA-N 2 0 330.432 1.188 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C)nn2C2CC[NH+](C)CC2)C1 ZINC000531427309 448083024 /nfs/dbraw/zinc/08/30/24/448083024.db2.gz GCKCRGHEZHQZEQ-OAHLLOKOSA-N 2 0 348.495 1.922 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000576849241 448156010 /nfs/dbraw/zinc/15/60/10/448156010.db2.gz QGPCQWAOPRWAOI-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)C[C@@](C)(O)C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497009098 448118871 /nfs/dbraw/zinc/11/88/71/448118871.db2.gz RADWXWWHVWBUCX-JMLCCBQJSA-N 2 0 343.512 1.972 20 0 EDADRP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1)[NH+](C)C ZINC000531707945 448130605 /nfs/dbraw/zinc/13/06/05/448130605.db2.gz QTCVFDIKZCIOBR-JQHSSLGASA-N 2 0 333.476 1.732 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCNC[C@H]1c1cccnc1 ZINC000514783775 448202374 /nfs/dbraw/zinc/20/23/74/448202374.db2.gz ZHRKZSZRNRTFTM-WBVHZDCISA-N 2 0 331.464 1.612 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CCN1CC(=O)NCCc1nc2ccccc2s1 ZINC000571772498 448204192 /nfs/dbraw/zinc/20/41/92/448204192.db2.gz ACTPLNSWULMAHA-OLZOCXBDSA-N 2 0 332.473 1.767 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+][C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000514932925 448227604 /nfs/dbraw/zinc/22/76/04/448227604.db2.gz NRLBUZVISCYQKH-KBXCAEBGSA-N 2 0 332.444 1.869 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000577181427 448227933 /nfs/dbraw/zinc/22/79/33/448227933.db2.gz CVKDEOGDNBREPN-MJGOQNOKSA-N 2 0 345.487 1.833 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCOc2ccc3ccccc3c2)CC1 ZINC000514846334 448213228 /nfs/dbraw/zinc/21/32/28/448213228.db2.gz YOEIBAMXMHLMGS-LJQANCHMSA-N 2 0 343.471 1.417 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000515483325 448319883 /nfs/dbraw/zinc/31/98/83/448319883.db2.gz NBBBNKLFNINFST-DOTOQJQBSA-N 3 0 338.540 1.591 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000582726711 448322594 /nfs/dbraw/zinc/32/25/94/448322594.db2.gz FJCQUYDWLNRIKB-FERZIJSQSA-N 2 0 344.459 1.369 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000515381016 448304118 /nfs/dbraw/zinc/30/41/18/448304118.db2.gz QIVWMRPVXISJJY-LBTNJELSSA-N 2 0 343.475 1.576 20 0 EDADRP COC(=O)Cn1cc(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nn1 ZINC000533010682 448345056 /nfs/dbraw/zinc/34/50/56/448345056.db2.gz YQFZHONEJPZUDY-UHFFFAOYSA-N 2 0 337.468 1.046 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000577642533 448349800 /nfs/dbraw/zinc/34/98/00/448349800.db2.gz KNXHINYQGHCILH-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)C3(C)C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000582899206 448372188 /nfs/dbraw/zinc/37/21/88/448372188.db2.gz GMZLRYVAIHSNGB-IRXDYDNUSA-N 2 0 329.444 1.699 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000566171956 448404386 /nfs/dbraw/zinc/40/43/86/448404386.db2.gz KAWDJPHIMSWJDC-HNNXBMFYSA-N 2 0 328.420 1.517 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000577860275 448406410 /nfs/dbraw/zinc/40/64/10/448406410.db2.gz VFYFQGDFLPRCCN-SOUVJXGZSA-N 2 0 337.430 1.553 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H](C[NH3+])c3ccccc3)nc2)CC1 ZINC000572598580 448417994 /nfs/dbraw/zinc/41/79/94/448417994.db2.gz RJAWGVJSIXNXIB-KRWDZBQOSA-N 2 0 339.443 1.514 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000516070448 448375296 /nfs/dbraw/zinc/37/52/96/448375296.db2.gz FBHKALKYTHIGAC-XYVMCAHJSA-N 2 0 330.476 1.796 20 0 EDADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000572615234 448423806 /nfs/dbraw/zinc/42/38/06/448423806.db2.gz UXGFWJIKLOJHEU-IAGOWNOFSA-N 2 0 337.533 1.901 20 0 EDADRP CC[NH2+]CCCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000516634758 448452811 /nfs/dbraw/zinc/45/28/11/448452811.db2.gz AWEXUMQMAXMIHS-ZWKOTPCHSA-N 2 0 348.491 1.168 20 0 EDADRP CSC[C@H](O)C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000516761456 448469641 /nfs/dbraw/zinc/46/96/41/448469641.db2.gz FKZKELHWMRBJDQ-GOSISDBHSA-N 2 0 337.533 1.508 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000572855363 448482590 /nfs/dbraw/zinc/48/25/90/448482590.db2.gz NWPXTGGAQIGMSM-NJAFHUGGSA-N 2 0 346.475 1.185 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)N3CC[NH2+]CC3)CC[N@@H+]2C2CC2)c1 ZINC000584400208 448511993 /nfs/dbraw/zinc/51/19/93/448511993.db2.gz JTBHZEMZFUDDLJ-MSOLQXFVSA-N 2 0 344.459 1.588 20 0 EDADRP O=C(CN1CCC[C@H](n2ccnc2)C1)Nc1ccc2c(c1)OCCO2 ZINC000591868372 448512836 /nfs/dbraw/zinc/51/28/36/448512836.db2.gz YIHMDKZUNJZKCS-HNNXBMFYSA-N 2 0 342.399 1.930 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000566614992 448520463 /nfs/dbraw/zinc/52/04/63/448520463.db2.gz COVXQUABRZWHFC-AWEZNQCLSA-N 2 0 347.381 1.381 20 0 EDADRP O=C([C@@H]1CCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000566623048 448522557 /nfs/dbraw/zinc/52/25/57/448522557.db2.gz WMGDXEUPCVQUIK-HNNXBMFYSA-N 2 0 331.464 1.335 20 0 EDADRP Cc1c(C(=O)NCC2CC[NH+](C3CC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000584468336 448537878 /nfs/dbraw/zinc/53/78/78/448537878.db2.gz LNYRAEJZAICSHR-UHFFFAOYSA-N 2 0 346.479 1.115 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)Nc1ncc(C2CC[NH2+]CC2)s1 ZINC000517098762 448538866 /nfs/dbraw/zinc/53/88/66/448538866.db2.gz MUQXZNJOQDGFDV-NSHDSACASA-N 2 0 326.491 1.644 20 0 EDADRP COc1ccc(OC)c([C@@H](C)NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c1 ZINC000517158684 448545482 /nfs/dbraw/zinc/54/54/82/448545482.db2.gz GDPKJLIRZKIBOI-CQSZACIVSA-N 2 0 349.475 1.942 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)CCOC1C[NH2+]C1 ZINC000584715367 448605159 /nfs/dbraw/zinc/60/51/59/448605159.db2.gz JDQIHTGDPWRNRZ-MJGOQNOKSA-N 2 0 345.487 1.564 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000517712858 448607724 /nfs/dbraw/zinc/60/77/24/448607724.db2.gz HQUNGZKDTUDPMA-GOSISDBHSA-N 2 0 345.491 1.948 20 0 EDADRP Cc1nc2cc(NC(=O)C(=O)N[C@H]3CC[N@H+](C)[C@H](C)C3)ccc2n1C ZINC000573430056 448623501 /nfs/dbraw/zinc/62/35/01/448623501.db2.gz ZRYATIHZMRUVRQ-RISCZKNCSA-N 2 0 343.431 1.419 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000573267053 448585536 /nfs/dbraw/zinc/58/55/36/448585536.db2.gz YJGUYUHEMWSTQC-SJORKVTESA-N 3 0 332.496 1.238 20 0 EDADRP C[NH+](C)CC1(C(=O)NCCC[NH+]2CCC(O)CC2)CCCCC1 ZINC000573304340 448591913 /nfs/dbraw/zinc/59/19/13/448591913.db2.gz BXAWSGKFRODZAA-UHFFFAOYSA-N 2 0 325.497 1.462 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@H]1CCC[NH2+]C1)[NH+]1CCCC1 ZINC000578623534 448596086 /nfs/dbraw/zinc/59/60/86/448596086.db2.gz RNORUDPKPGTKQG-RDJZCZTQSA-N 2 0 346.475 1.883 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000573502416 448644426 /nfs/dbraw/zinc/64/44/26/448644426.db2.gz MKHQOAYDXNMRJO-QGZVFWFLSA-N 2 0 330.476 1.040 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000518367238 448669558 /nfs/dbraw/zinc/66/95/58/448669558.db2.gz UYYIAHLSPGUABU-MRXNPFEDSA-N 2 0 340.512 1.469 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000567463975 448699239 /nfs/dbraw/zinc/69/92/39/448699239.db2.gz AGNFKAVIHSFAQT-OAHLLOKOSA-N 2 0 332.448 1.192 20 0 EDADRP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CC2 ZINC000518754778 448705752 /nfs/dbraw/zinc/70/57/52/448705752.db2.gz BQUCMNBVVSVRDR-GGPKGHCWSA-N 2 0 343.471 1.919 20 0 EDADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000518480495 448682650 /nfs/dbraw/zinc/68/26/50/448682650.db2.gz AAKRWLJAQISATK-OAHLLOKOSA-N 2 0 344.463 1.684 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)NC[C@@H]1COCC[NH2+]1 ZINC000529297330 448811255 /nfs/dbraw/zinc/81/12/55/448811255.db2.gz CFRSYPJKIAQONA-GOSISDBHSA-N 2 0 346.475 1.186 20 0 EDADRP COc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000568619742 448896429 /nfs/dbraw/zinc/89/64/29/448896429.db2.gz HKLKJKXDKGBIBN-BSXFFOKHSA-N 2 0 334.460 1.742 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000592558576 448900705 /nfs/dbraw/zinc/90/07/05/448900705.db2.gz BYODQBCVPQUGBA-GDBMZVCRSA-N 2 0 339.480 1.251 20 0 EDADRP Cc1cc(NC(=O)NCC2(C)CC[NH2+]CC2)n(C2CC[NH+](C)CC2)n1 ZINC000574620411 448916504 /nfs/dbraw/zinc/91/65/04/448916504.db2.gz IPPOSSZPCJMZAZ-UHFFFAOYSA-N 2 0 348.495 1.969 20 0 EDADRP COC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000574686519 448931563 /nfs/dbraw/zinc/93/15/63/448931563.db2.gz WHRWBHNVPNSFKA-JQHSSLGASA-N 2 0 332.444 1.337 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)COCc1ccccc1)N1CC[NH+](C)CC1 ZINC000574512679 448889970 /nfs/dbraw/zinc/88/99/70/448889970.db2.gz RWFKVDDRYWFMNS-VQTJNVASSA-N 2 0 349.519 1.426 20 0 EDADRP CN1CC[NH+](C[C@H](O)CNc2cccc(CC[NH+]3CCCC3)c2)CC1 ZINC000574513087 448890440 /nfs/dbraw/zinc/89/04/40/448890440.db2.gz GUMMLVZWKJVBMP-HXUWFJFHSA-N 2 0 346.519 1.345 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000574859659 448971915 /nfs/dbraw/zinc/97/19/15/448971915.db2.gz RUHRWSYVAYDIAI-UHFFFAOYSA-N 2 0 334.464 1.234 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000569337838 449005857 /nfs/dbraw/zinc/00/58/57/449005857.db2.gz WUBYHYIXMDRNNC-IEZWGBDMSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+]1CC[C@H](C(=O)Nc2cccc(CNC(=O)[C@H]3CC[N@@H+](C)C3)c2)C1 ZINC000521927768 449029033 /nfs/dbraw/zinc/02/90/33/449029033.db2.gz XXIGQZFILCFIHW-HOTGVXAUSA-N 2 0 344.459 1.145 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)C1CCCCC1 ZINC000592956741 449077550 /nfs/dbraw/zinc/07/75/50/449077550.db2.gz IJJIPEVBTUZELQ-NVXWUHKLSA-N 2 0 347.507 1.960 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH+]3CCc4ccccc4C3)CC2)C1 ZINC000522138485 449055380 /nfs/dbraw/zinc/05/53/80/449055380.db2.gz QFTCIQUGUIHCGA-GOSISDBHSA-N 2 0 327.472 1.987 20 0 EDADRP COC(=O)[C@@](C)(O)C[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000575410312 449095085 /nfs/dbraw/zinc/09/50/85/449095085.db2.gz PJYZLDXESMABLP-PBHICJAKSA-N 2 0 340.489 1.734 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)nc1 ZINC000593731244 449165031 /nfs/dbraw/zinc/16/50/31/449165031.db2.gz VACYODIHZCSAPU-UAGQMJEPSA-N 2 0 333.432 1.729 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]CCCC[NH+]2CCN(C)CC2)n1 ZINC000600123034 449202844 /nfs/dbraw/zinc/20/28/44/449202844.db2.gz HMUZEALHFWUSOL-UHFFFAOYSA-N 2 0 334.464 1.376 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000595938234 449266337 /nfs/dbraw/zinc/26/63/37/449266337.db2.gz MINPVPBUUHDUFT-MRXNPFEDSA-N 2 0 336.505 1.490 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1ccc2c(c1)OCO2 ZINC000590798580 449298354 /nfs/dbraw/zinc/29/83/54/449298354.db2.gz ZDRVLEXXMBIWNH-UHFFFAOYSA-N 2 0 336.436 1.050 20 0 EDADRP Cc1cccc(C(=O)N[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000590817507 449306427 /nfs/dbraw/zinc/30/64/27/449306427.db2.gz JDFGIWGLOYCAPA-INIZCTEOSA-N 2 0 348.491 1.065 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000595956387 449280885 /nfs/dbraw/zinc/28/08/85/449280885.db2.gz PZUPQXIHACPRMK-UHFFFAOYSA-N 2 0 337.464 1.052 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C2([S@@](C)=O)CC[NH2+]CC2)CC1 ZINC000602473550 449619575 /nfs/dbraw/zinc/61/95/75/449619575.db2.gz ONNVTVYTOGSEFZ-HSZRJFAPSA-N 2 0 343.537 1.066 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C1([S@@](C)=O)CC[NH2+]CC1 ZINC000602488545 449627732 /nfs/dbraw/zinc/62/77/32/449627732.db2.gz YYUDFBGBMZJAFN-HSZRJFAPSA-N 2 0 337.489 1.496 20 0 EDADRP COC(=O)c1[nH]c(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1C ZINC000602599181 449696788 /nfs/dbraw/zinc/69/67/88/449696788.db2.gz GCVRMKHFOBRAMH-UHFFFAOYSA-N 2 0 346.431 1.735 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1F ZINC000597056226 449788490 /nfs/dbraw/zinc/78/84/90/449788490.db2.gz AWFIOPBVBUXGQH-HNNXBMFYSA-N 2 0 338.423 1.939 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000594924567 449809005 /nfs/dbraw/zinc/80/90/05/449809005.db2.gz JJECSRYPEQHSMJ-RYQLBKOJSA-N 2 0 346.475 1.381 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000595037904 449846971 /nfs/dbraw/zinc/84/69/71/449846971.db2.gz FGVMOQWXFUECRL-HNNXBMFYSA-N 2 0 327.513 1.970 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)C1 ZINC000612977577 449968940 /nfs/dbraw/zinc/96/89/40/449968940.db2.gz PUTZVAHCGMJIIJ-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP CN1CC[NH+](CC2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC000615273929 450038986 /nfs/dbraw/zinc/03/89/86/450038986.db2.gz ZGVSKJZLPSEHKU-UHFFFAOYSA-N 2 0 336.524 1.204 20 0 EDADRP CC[C@@H](C(=O)N(CCN1CCOCC1)CC1CC1)[NH+](CC)CC ZINC000619890083 450357935 /nfs/dbraw/zinc/35/79/35/450357935.db2.gz OIPGTQPFRBTRGO-KRWDZBQOSA-N 2 0 325.497 1.678 20 0 EDADRP O=C([C@H]1CCCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620478908 450497707 /nfs/dbraw/zinc/49/77/07/450497707.db2.gz JYQSTJDBTKGRSR-RTBURBONSA-N 2 0 349.519 1.841 20 0 EDADRP C[C@@H]1[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCS1(=O)=O ZINC000623718569 450571395 /nfs/dbraw/zinc/57/13/95/450571395.db2.gz QPSMDBNVVUMXJI-CZUORRHYSA-N 2 0 326.462 1.292 20 0 EDADRP CO[C@H]1C[C@H](NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000623529833 450538389 /nfs/dbraw/zinc/53/83/89/450538389.db2.gz AWXWYZOGDNLGCW-JCNLHEQBSA-N 2 0 347.463 1.070 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000626076449 450569499 /nfs/dbraw/zinc/56/94/99/450569499.db2.gz NCFAWCUKGJANEQ-FDPIWHGQSA-N 2 0 327.472 1.931 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([N@@H+]3CC[C@H](O)C3)C2)o1 ZINC000627258291 450585818 /nfs/dbraw/zinc/58/58/18/450585818.db2.gz YAVJSGSSDBTDEO-GJZGRUSLSA-N 2 0 335.448 1.403 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000633086309 450671102 /nfs/dbraw/zinc/67/11/02/450671102.db2.gz PCSCHSSXCQPXJM-OAHLLOKOSA-N 2 0 338.496 1.049 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C[NH2+]1 ZINC000627300694 450631688 /nfs/dbraw/zinc/63/16/88/450631688.db2.gz JQTHOMIIIKNVKE-LSDHHAIUSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1CO ZINC000621372345 450705099 /nfs/dbraw/zinc/70/50/99/450705099.db2.gz UEVZGKXULOTLGU-NJAFHUGGSA-N 2 0 333.476 1.356 20 0 EDADRP COc1cccc(N2CCC[C@H]([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629564921 450738426 /nfs/dbraw/zinc/73/84/26/450738426.db2.gz LVPBLVQTKLYQQD-FUHWJXTLSA-N 2 0 333.476 1.710 20 0 EDADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000629595358 450754942 /nfs/dbraw/zinc/75/49/42/450754942.db2.gz NFODTEXRWJJLFT-CQSZACIVSA-N 2 0 337.489 1.094 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[NH2+]2)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000631852771 450825852 /nfs/dbraw/zinc/82/58/52/450825852.db2.gz DNPDYASMOFNDIP-KDURUIRLSA-N 2 0 342.487 1.335 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21)c1ccccc1 ZINC000631890173 450851062 /nfs/dbraw/zinc/85/10/62/450851062.db2.gz NBSUPOZRKWJUEA-GUDVDZBRSA-N 2 0 344.503 1.479 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000621751523 450858113 /nfs/dbraw/zinc/85/81/13/450858113.db2.gz IIKIGGXBDSRSRP-YJBOKZPZSA-N 2 0 330.476 1.710 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000631923249 450882079 /nfs/dbraw/zinc/88/20/79/450882079.db2.gz QLHFPRIUCGVXEO-INIZCTEOSA-N 2 0 329.510 1.362 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000635447041 450947808 /nfs/dbraw/zinc/94/78/08/450947808.db2.gz OIDRHCVVMJCNPZ-OAHLLOKOSA-N 2 0 333.476 1.974 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631993515 450949159 /nfs/dbraw/zinc/94/91/59/450949159.db2.gz SQYHLMJCTNXADB-WBVHZDCISA-N 2 0 337.489 1.511 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631993513 450949662 /nfs/dbraw/zinc/94/96/62/450949662.db2.gz SQYHLMJCTNXADB-NVXWUHKLSA-N 2 0 337.489 1.511 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000630018843 450957729 /nfs/dbraw/zinc/95/77/29/450957729.db2.gz JSOHLSHUXRFAAJ-GOSISDBHSA-N 2 0 331.460 1.354 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC000621987803 450976217 /nfs/dbraw/zinc/97/62/17/450976217.db2.gz HIQBVMPNVUTZNH-UHFFFAOYSA-N 2 0 329.404 1.440 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000626916374 451002437 /nfs/dbraw/zinc/00/24/37/451002437.db2.gz AOTPXSMHQNHMCR-GOSISDBHSA-N 2 0 348.491 1.701 20 0 EDADRP [NH3+]CCCOCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000626919424 451003858 /nfs/dbraw/zinc/00/38/58/451003858.db2.gz HZGANYJOABNIHI-UHFFFAOYSA-N 2 0 340.512 1.840 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000626920760 451005390 /nfs/dbraw/zinc/00/53/90/451005390.db2.gz KMDGDTDRGBPKAP-AEFFLSMTSA-N 2 0 346.475 1.883 20 0 EDADRP [NH3+]CCCOCCNC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626954669 451032411 /nfs/dbraw/zinc/03/24/11/451032411.db2.gz ILZPPFIBKCFULQ-GOSISDBHSA-N 2 0 348.491 1.563 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCCC2)cc1 ZINC000626957475 451034434 /nfs/dbraw/zinc/03/44/34/451034434.db2.gz SLFDAXDSQNZQBO-ROUUACIJSA-N 2 0 346.475 1.420 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000626964178 451037591 /nfs/dbraw/zinc/03/75/91/451037591.db2.gz NRDFBSAYQDCYKE-UKRRQHHQSA-N 2 0 349.454 1.300 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000626967835 451040491 /nfs/dbraw/zinc/04/04/91/451040491.db2.gz JZNHHKBJYVAIJL-CGTJXYLNSA-N 2 0 345.491 1.025 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@H](CCCN2S(=O)(=O)CCC[NH+]2CCCC2)C1 ZINC000632122423 451052739 /nfs/dbraw/zinc/05/27/39/451052739.db2.gz UVLSDJATICFNFT-CVEARBPZSA-N 2 0 329.510 1.218 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635604049 451097970 /nfs/dbraw/zinc/09/79/70/451097970.db2.gz UJDXHKKFZNFKRS-QZTJIDSGSA-N 2 0 344.503 1.655 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)C1 ZINC000635570777 451068708 /nfs/dbraw/zinc/06/87/08/451068708.db2.gz LXKZRYKXFARWIX-QGZVFWFLSA-N 2 0 334.508 1.101 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000624946528 451074196 /nfs/dbraw/zinc/07/41/96/451074196.db2.gz XONVBVNTGYFFDH-GVDBMIGSSA-N 2 0 338.496 1.148 20 0 EDADRP CCC[C@H](OCC)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000624952338 451077037 /nfs/dbraw/zinc/07/70/37/451077037.db2.gz QNIHFVPZPJUCIZ-SFHVURJKSA-N 2 0 348.491 1.915 20 0 EDADRP [NH3+]CCCOCCNC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979281 451048709 /nfs/dbraw/zinc/04/87/09/451048709.db2.gz VWIDGOQYSCGTAI-SFHVURJKSA-N 2 0 348.491 1.878 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000627066267 451109355 /nfs/dbraw/zinc/10/93/55/451109355.db2.gz QNGQBTIYIMNIFA-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCC[N@@H+]2CC[C@H](O)C2)cc1 ZINC000627072053 451111037 /nfs/dbraw/zinc/11/10/37/451111037.db2.gz YDDQMXAJUFHOKZ-IRXDYDNUSA-N 2 0 334.464 1.176 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000627102560 451124175 /nfs/dbraw/zinc/12/41/75/451124175.db2.gz ONSQNWOSRHIRAP-HOTGVXAUSA-N 2 0 338.496 1.400 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627116315 451132918 /nfs/dbraw/zinc/13/29/18/451132918.db2.gz JBGZZWYDRLGPQY-JKSUJKDBSA-N 2 0 326.485 1.160 20 0 EDADRP C(C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)OC1CCOCC1 ZINC000625121056 451175486 /nfs/dbraw/zinc/17/54/86/451175486.db2.gz GZLVMOKQEJQFMQ-UHFFFAOYSA-N 2 0 326.481 1.616 20 0 EDADRP CN1CCCC[C@H]1C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000635709618 451188212 /nfs/dbraw/zinc/18/82/12/451188212.db2.gz PBQFXWVROZNEFT-OTWHNJEPSA-N 2 0 345.487 1.470 20 0 EDADRP CN1CCCC[C@H]1C(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000635709617 451188912 /nfs/dbraw/zinc/18/89/12/451188912.db2.gz PBQFXWVROZNEFT-FHWLQOOXSA-N 2 0 345.487 1.470 20 0 EDADRP CN(C)c1c(F)c(F)ccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000628278848 451207788 /nfs/dbraw/zinc/20/77/88/451207788.db2.gz KAALMNIEMJZMSX-UHFFFAOYSA-N 2 0 328.451 1.956 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000635782271 451236486 /nfs/dbraw/zinc/23/64/86/451236486.db2.gz FHUDYEXJZAGMIO-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000638100274 451265470 /nfs/dbraw/zinc/26/54/70/451265470.db2.gz XTYCCABFFBVLKJ-QGZVFWFLSA-N 2 0 329.444 1.307 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638110620 451278450 /nfs/dbraw/zinc/27/84/50/451278450.db2.gz GVNWXRAXTGBNIL-PKOBYXMFSA-N 2 0 331.460 1.345 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C[NH3+])CCCOC3)cc21 ZINC000638122168 451292698 /nfs/dbraw/zinc/29/26/98/451292698.db2.gz LRROHRGOKHNEFX-IBGZPJMESA-N 2 0 344.459 1.897 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)Cc2ccccc2)CC[N@@H+]1C ZINC000638124303 451293423 /nfs/dbraw/zinc/29/34/23/451293423.db2.gz RXRYMPVHCZFNQH-NJAFHUGGSA-N 2 0 332.492 1.387 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2=CC[C@H]([NH3+])C2)[C@@H](c2ccccc2)C1 ZINC000638137391 451310963 /nfs/dbraw/zinc/31/09/63/451310963.db2.gz JSKUKARMWCNEEZ-RBUKOAKNSA-N 2 0 342.487 1.529 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000638172266 451334695 /nfs/dbraw/zinc/33/46/95/451334695.db2.gz VEKBHOMWMNPOPR-HIFRSBDPSA-N 2 0 327.350 1.917 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C(=O)N(C)Cc2ncc[nH]2)C1 ZINC000636548200 451288506 /nfs/dbraw/zinc/28/85/06/451288506.db2.gz DRCXJNDIYODCDL-HUUCEWRRSA-N 2 0 349.479 1.242 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCc2ccc3c(c2)C[NH2+]C3)c1 ZINC000638195012 451350016 /nfs/dbraw/zinc/35/00/16/451350016.db2.gz AEKSKFZPCFBEFJ-SFHVURJKSA-N 2 0 325.412 1.485 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)CCn1nc2ccccn2c1=O ZINC000640531244 451382850 /nfs/dbraw/zinc/38/28/50/451382850.db2.gz NFTWKBDWLXYQSX-UHFFFAOYSA-N 2 0 331.464 1.694 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000640533854 451383968 /nfs/dbraw/zinc/38/39/68/451383968.db2.gz XLKVSSZDGMQQRB-QGZVFWFLSA-N 2 0 345.553 1.856 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636598743 451339416 /nfs/dbraw/zinc/33/94/16/451339416.db2.gz SGMSPZWVAUMNIN-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCN3CCC4)C2)cc1 ZINC000634457074 451346659 /nfs/dbraw/zinc/34/66/59/451346659.db2.gz QPHMHSVZJQVQMH-RBUKOAKNSA-N 2 0 342.487 1.075 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)c1cnc(C[NH3+])nc1 ZINC000638277794 451396554 /nfs/dbraw/zinc/39/65/54/451396554.db2.gz VJGHIEABZMSUBR-UHFFFAOYSA-N 2 0 331.395 1.278 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630816950 451418500 /nfs/dbraw/zinc/41/85/00/451418500.db2.gz NRPMTMOJTOVQDP-OAGGEKHMSA-N 2 0 335.496 1.541 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000638353062 451453771 /nfs/dbraw/zinc/45/37/71/451453771.db2.gz SYBIHCGZCKBRJS-DLBZAZTESA-N 2 0 331.460 1.932 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638364438 451462288 /nfs/dbraw/zinc/46/22/88/451462288.db2.gz HPLNLQGDIAVBKM-GHMZBOCLSA-N 2 0 342.394 1.140 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000634700739 451473984 /nfs/dbraw/zinc/47/39/84/451473984.db2.gz DWXSJECMIFUVCB-FQEVSTJZSA-N 2 0 331.504 1.945 20 0 EDADRP C[C@](O)(C[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CC1 ZINC000634711240 451490770 /nfs/dbraw/zinc/49/07/70/451490770.db2.gz LRLFHDGWTBHDQV-ZCNNSNEGSA-N 2 0 348.487 1.255 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC[C@H](O)C[NH+]1CCCC1 ZINC000634724052 451504600 /nfs/dbraw/zinc/50/46/00/451504600.db2.gz IUATYCKMSXCCBC-RLLQIKCJSA-N 3 0 331.504 1.801 20 0 EDADRP C[NH+]1CCN(c2cc[nH+]c(NCc3cn(C4CCC4)nn3)c2)CC1 ZINC000630960850 451509492 /nfs/dbraw/zinc/50/94/92/451509492.db2.gz JBZTVWRPPVZDRN-UHFFFAOYSA-N 2 0 327.436 1.762 20 0 EDADRP CO[C@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638455722 451524306 /nfs/dbraw/zinc/52/43/06/451524306.db2.gz YVWSMFMVKSXIJQ-GOSISDBHSA-N 2 0 348.491 1.365 20 0 EDADRP COCCC[NH+]1CCC(NC2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638484173 451537239 /nfs/dbraw/zinc/53/72/39/451537239.db2.gz UQZNQOWHLCACLS-UHFFFAOYSA-N 2 0 327.513 1.312 20 0 EDADRP CCN1CCOC[C@@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000636855458 451556891 /nfs/dbraw/zinc/55/68/91/451556891.db2.gz YXPYDPJYHKEYOZ-QGZVFWFLSA-N 2 0 337.439 1.437 20 0 EDADRP COCCc1ncc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000631070339 451568656 /nfs/dbraw/zinc/56/86/56/451568656.db2.gz UTRPRBAXICJGOM-CQSZACIVSA-N 2 0 338.521 1.590 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000638557223 451576110 /nfs/dbraw/zinc/57/61/10/451576110.db2.gz HIKWNYRHJVBWBQ-OCCSQVGLSA-N 2 0 329.366 1.787 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[C@H]1C(F)(F)F ZINC000638561115 451577895 /nfs/dbraw/zinc/57/78/95/451577895.db2.gz GDIJAJKWNZNEKW-SMDDNHRTSA-N 2 0 327.350 1.889 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000638618159 451611551 /nfs/dbraw/zinc/61/15/51/451611551.db2.gz LIBDEXDEJMOCPC-INIZCTEOSA-N 2 0 335.448 1.125 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000638601556 451599898 /nfs/dbraw/zinc/59/98/98/451599898.db2.gz FKQHCJDGOKLKHJ-DLBZAZTESA-N 2 0 335.492 1.335 20 0 EDADRP CC(C)[C@@H](C[NH2+]Cc1ccc2nccnc2c1)N1CC[NH+](C)CC1 ZINC000634951594 451619952 /nfs/dbraw/zinc/61/99/52/451619952.db2.gz ALRQCRFDKGHDRA-LJQANCHMSA-N 2 0 327.476 1.991 20 0 EDADRP C[NH+](C)C1(CNC2CC[NH+](CC(C)(C)O)CC2)Cc2ccccc2C1 ZINC000638668651 451642228 /nfs/dbraw/zinc/64/22/28/451642228.db2.gz OFLFOXTVAHTWIK-UHFFFAOYSA-N 2 0 345.531 1.911 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)OCC[NH2+]C2 ZINC000638672528 451643201 /nfs/dbraw/zinc/64/32/01/451643201.db2.gz VFUNDQCDAMETTO-IDHHARJASA-N 2 0 345.443 1.640 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638671244 451643330 /nfs/dbraw/zinc/64/33/30/451643330.db2.gz WAYKVPSAZNCJIR-RBUKOAKNSA-N 2 0 345.487 1.578 20 0 EDADRP c1ccc(N2CCC(Nc3cc(N4CC[NH2+]CC4)cc[nH+]3)CC2)nc1 ZINC000635009882 451648649 /nfs/dbraw/zinc/64/86/49/451648649.db2.gz OQJUURPKJHTGKM-UHFFFAOYSA-N 2 0 338.459 1.967 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H]2CC[C@H](C[NH3+])CC2)cc1 ZINC000635003857 451648728 /nfs/dbraw/zinc/64/87/28/451648728.db2.gz CDKANRBUCJAOPL-UMVBOHGHSA-N 2 0 325.478 1.763 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](C3CCN(C)CC3)C2)CC[N@@H+]1C ZINC000631246431 451660474 /nfs/dbraw/zinc/66/04/74/451660474.db2.gz CRFHMCXWILRZCN-OKZBNKHCSA-N 2 0 336.524 1.344 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637032462 451689611 /nfs/dbraw/zinc/68/96/11/451689611.db2.gz AYOPMUVLEYGUNA-UXLLHSPISA-N 2 0 338.496 1.005 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)C(=O)NCC[NH+](C)C ZINC000638818775 451700438 /nfs/dbraw/zinc/70/04/38/451700438.db2.gz SZPYHKCNMFQJAF-JYJNAYRXSA-N 2 0 340.512 1.116 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)CCOC1C[NH2+]C1 ZINC000638834740 451705733 /nfs/dbraw/zinc/70/57/33/451705733.db2.gz IAGJJZSRVOELKA-NVXWUHKLSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)c1cnc(C[NH3+])nc1 ZINC000638849789 451710336 /nfs/dbraw/zinc/71/03/36/451710336.db2.gz HALHZZDFQKLCIC-RHSMWYFYSA-N 2 0 339.443 1.433 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000638861481 451713614 /nfs/dbraw/zinc/71/36/14/451713614.db2.gz YASYRDOFDVGVJS-UHFFFAOYSA-N 2 0 345.491 1.439 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000638860918 451713888 /nfs/dbraw/zinc/71/38/88/451713888.db2.gz KQDGRPHTRZRZKI-QGZVFWFLSA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H]1CCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)[C@H](C[NH3+])C1 ZINC000632962096 451671132 /nfs/dbraw/zinc/67/11/32/451671132.db2.gz XEGOOXWVEFXSQB-CJNGLKHVSA-N 2 0 334.468 1.741 20 0 EDADRP O=C(CCC(=O)NC1CCCC1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638984780 451745899 /nfs/dbraw/zinc/74/58/99/451745899.db2.gz REWDCMGLGIXQSB-UHFFFAOYSA-N 2 0 345.447 1.269 20 0 EDADRP O=C(COc1ccc(O)cc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638987951 451747988 /nfs/dbraw/zinc/74/79/88/451747988.db2.gz OYDWKDZXRXRLBW-UHFFFAOYSA-N 2 0 328.372 1.214 20 0 EDADRP O=C(Cc1[nH]nc2ccccc21)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988442 451748185 /nfs/dbraw/zinc/74/81/85/451748185.db2.gz YJYPLXDBYAUXKY-UHFFFAOYSA-N 2 0 336.399 1.549 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)c3csc(CC[NH3+])n3)C2)cc1 ZINC000639006393 451751607 /nfs/dbraw/zinc/75/16/07/451751607.db2.gz WHNLJQPHIXKQKG-HNNXBMFYSA-N 2 0 344.484 1.957 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000653275182 451808727 /nfs/dbraw/zinc/80/87/27/451808727.db2.gz YKSGMDRTQLNEOL-KRWDZBQOSA-N 2 0 328.460 1.982 20 0 EDADRP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000639308080 451818136 /nfs/dbraw/zinc/81/81/36/451818136.db2.gz LEBMMUZLGRXUOE-LZQZEXGQSA-N 2 0 345.487 1.790 20 0 EDADRP O=S1(=O)CCCN1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000639358056 451843101 /nfs/dbraw/zinc/84/31/01/451843101.db2.gz FTOQUVIPGOZAAB-UHFFFAOYSA-N 2 0 338.477 1.066 20 0 EDADRP [NH3+][C@H](CCC(=O)Nc1nc(N2CC[NH2+]CC2)n[nH]1)CC1CCCCC1 ZINC000646801469 451849375 /nfs/dbraw/zinc/84/93/75/451849375.db2.gz HUPSCWCFTTWBCW-CQSZACIVSA-N 2 0 349.483 1.231 20 0 EDADRP Cc1ncccc1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000637431142 451850869 /nfs/dbraw/zinc/85/08/69/451850869.db2.gz VDHCFFQZIJZWIZ-UHFFFAOYSA-N 2 0 335.496 1.805 20 0 EDADRP CO[C@@H](CNc1cc(N2CC[NH+](C)CC2)cc[nH+]1)C1CCOCC1 ZINC000639381362 451858021 /nfs/dbraw/zinc/85/80/21/451858021.db2.gz BNYTWSWYMNYOFN-KRWDZBQOSA-N 2 0 334.464 1.687 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCOC3(CC[NH+](C)CC3)C2)cn1 ZINC000649129886 451863233 /nfs/dbraw/zinc/86/32/33/451863233.db2.gz ORTBGTAOWWFILB-UHFFFAOYSA-N 2 0 332.448 1.080 20 0 EDADRP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000644574019 451869731 /nfs/dbraw/zinc/86/97/31/451869731.db2.gz NJWXDTJMNIDQIC-PMACEKPBSA-N 2 0 333.520 1.986 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000646854266 451889745 /nfs/dbraw/zinc/88/97/45/451889745.db2.gz SUHQNIOHAUOMBD-FUHWJXTLSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000646854267 451890033 /nfs/dbraw/zinc/89/00/33/451890033.db2.gz SUHQNIOHAUOMBD-SJLPKXTDSA-N 2 0 345.487 1.863 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000637505561 451912986 /nfs/dbraw/zinc/91/29/86/451912986.db2.gz CDBYEFIAWVGING-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)c3cccc(CN4CC[NH+](C)CC4)c3)[C@@H]2C1 ZINC000646934906 451950045 /nfs/dbraw/zinc/95/00/45/451950045.db2.gz XNKNKXAFXIJEKD-RTBURBONSA-N 2 0 342.487 1.210 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@]2(N)CC[NH+](C)C2)cc1 ZINC000649288271 451962159 /nfs/dbraw/zinc/96/21/59/451962159.db2.gz HBJICGLIEPEVDC-UZLBHIALSA-N 2 0 344.503 1.710 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649288462 451963064 /nfs/dbraw/zinc/96/30/64/451963064.db2.gz SBQHXMFZZCZUEB-LPHOPBHVSA-N 2 0 345.487 1.771 20 0 EDADRP CC1(OCC(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)C[NH2+]C1 ZINC000649293654 451968970 /nfs/dbraw/zinc/96/89/70/451968970.db2.gz CHFGNXWEXLGMAE-KRWDZBQOSA-N 2 0 331.460 1.708 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000649313816 451991651 /nfs/dbraw/zinc/99/16/51/451991651.db2.gz YPQHQOFRNQLNGY-CWRNSKLLSA-N 2 0 344.459 1.320 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H](C)O1 ZINC000637658503 452001184 /nfs/dbraw/zinc/00/11/84/452001184.db2.gz XYWINPSBHBUECU-OAGGEKHMSA-N 2 0 328.501 1.467 20 0 EDADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)C1 ZINC000649322233 452001771 /nfs/dbraw/zinc/00/17/71/452001771.db2.gz HUPKHZFKDFVLPV-LIRRHRJNSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000642976688 452005031 /nfs/dbraw/zinc/00/50/31/452005031.db2.gz MTJKYYYIGNGFMK-RHSMWYFYSA-N 2 0 344.459 1.019 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NS(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641499880 452031337 /nfs/dbraw/zinc/03/13/37/452031337.db2.gz LRAOSTPNLONFSX-AWEZNQCLSA-N 2 0 339.505 1.682 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000649352619 452037542 /nfs/dbraw/zinc/03/75/42/452037542.db2.gz ADGSJYPDLQQNQC-SFHVURJKSA-N 2 0 344.503 1.301 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352708 452037972 /nfs/dbraw/zinc/03/79/72/452037972.db2.gz GJCKUDKGPVEVBX-MJGOQNOKSA-N 2 0 342.487 1.112 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000649359791 452039756 /nfs/dbraw/zinc/03/97/56/452039756.db2.gz BDXFRDIVKZSYIS-JCGIZDLHSA-N 2 0 341.459 1.058 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000647078560 452047120 /nfs/dbraw/zinc/04/71/20/452047120.db2.gz BBKFXMBJYONOCZ-GDBMZVCRSA-N 2 0 335.423 1.082 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@]2(N)CC[NH+](C)C2)CC1 ZINC000649378636 452051497 /nfs/dbraw/zinc/05/14/97/452051497.db2.gz PUPYQSLPQHXZOJ-LPHOPBHVSA-N 2 0 336.524 1.523 20 0 EDADRP CCC[C@@H]1CN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC[N@@H+]1CCOC ZINC000649379025 452052437 /nfs/dbraw/zinc/05/24/37/452052437.db2.gz CDKQFYBZPFGYTG-BBWFWOEESA-N 2 0 325.497 1.853 20 0 EDADRP [NH3+]C1(CNC(=O)C[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000647090632 452054868 /nfs/dbraw/zinc/05/48/68/452054868.db2.gz GJXHZMYNGPOJEQ-QGZVFWFLSA-N 3 0 330.476 1.096 20 0 EDADRP OC[C@@H](c1ccc(Cl)cc1)N1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000649413187 452076351 /nfs/dbraw/zinc/07/63/51/452076351.db2.gz ORXNAQLHCSUENT-QAPCUYQASA-N 2 0 337.895 1.991 20 0 EDADRP Cn1ccc(N2CCC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)n1 ZINC000649418268 452079971 /nfs/dbraw/zinc/07/99/71/452079971.db2.gz RFNBRNUZZUCHIE-ZACQAIPSSA-N 2 0 345.491 1.627 20 0 EDADRP [NH3+]CC1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000637803720 452090196 /nfs/dbraw/zinc/09/01/96/452090196.db2.gz HBIPDCYXCPKXCU-UHFFFAOYSA-N 2 0 344.503 1.567 20 0 EDADRP C[NH+]1CCN(Cc2ccc(-c3nc([C@@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647151446 452091144 /nfs/dbraw/zinc/09/11/44/452091144.db2.gz GGTWOYDDARZDSV-INIZCTEOSA-N 2 0 327.432 1.909 20 0 EDADRP [NH3+]C1(CC(=O)NC[C@@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000637815214 452098474 /nfs/dbraw/zinc/09/84/74/452098474.db2.gz UBMZBUBLBLOVSW-GOSISDBHSA-N 2 0 344.503 1.486 20 0 EDADRP Cn1c2ccccc2cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1=O ZINC000653777662 452110385 /nfs/dbraw/zinc/11/03/85/452110385.db2.gz RCKOFZVMFUBFIK-UHFFFAOYSA-N 2 0 341.455 1.835 20 0 EDADRP C[C@@](C[NH3+])(NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000637841374 452111765 /nfs/dbraw/zinc/11/17/65/452111765.db2.gz JYRGZNFALFNJLM-IBGZPJMESA-N 2 0 344.503 1.614 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637862193 452118857 /nfs/dbraw/zinc/11/88/57/452118857.db2.gz LTTGNFVAPHBOBS-AWEZNQCLSA-N 2 0 345.447 1.128 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000649755577 452233508 /nfs/dbraw/zinc/23/35/08/452233508.db2.gz RKNORSIKRSVBPF-ROUUACIJSA-N 2 0 333.476 1.906 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000643462978 452234700 /nfs/dbraw/zinc/23/47/00/452234700.db2.gz VFVMNIAJDCYXLF-PCBIJLKTSA-N 2 0 325.403 1.885 20 0 EDADRP COc1cc2[nH]c(NCc3cnc(N(C)C)n3C)[nH+]c2cc1OC ZINC000641777880 452249180 /nfs/dbraw/zinc/24/91/80/452249180.db2.gz BZMVALDOMCMWTG-UHFFFAOYSA-N 2 0 330.392 1.414 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657438779 452249809 /nfs/dbraw/zinc/24/98/09/452249809.db2.gz OVYPPPFIWDLMSD-YLJYHZDGSA-N 2 0 347.503 1.970 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000643488566 452257654 /nfs/dbraw/zinc/25/76/54/452257654.db2.gz LVAJCJUYVPRWBO-SIXWZSSISA-N 2 0 329.444 1.889 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)C[C@H]21 ZINC000641786321 452259785 /nfs/dbraw/zinc/25/97/85/452259785.db2.gz MALJFDMRGDWOTA-DDBAPUKQSA-N 2 0 328.460 1.642 20 0 EDADRP O=C(NC1CC1)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000647541268 452275512 /nfs/dbraw/zinc/27/55/12/452275512.db2.gz VPPUHSWRDXXCPQ-GOSISDBHSA-N 2 0 328.460 1.058 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[C@H]1F ZINC000659431825 452277046 /nfs/dbraw/zinc/27/70/46/452277046.db2.gz ORAZKOKWGMJGFP-HZPDHXFCSA-N 2 0 335.427 1.127 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659439847 452286125 /nfs/dbraw/zinc/28/61/25/452286125.db2.gz MNZMVSIBJGHWJD-QGZVFWFLSA-N 2 0 333.480 1.719 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000659443048 452291374 /nfs/dbraw/zinc/29/13/74/452291374.db2.gz WYLDUAFQLFQYLO-PSPFXIJKSA-N 2 0 328.460 1.955 20 0 EDADRP COc1ccccc1CCNC(=O)CN1[C@H](C)[C@H](C)CC[C@H]1C[NH3+] ZINC000641809876 452291782 /nfs/dbraw/zinc/29/17/82/452291782.db2.gz SZWIJDDIYOAOSY-INMHGKMJSA-N 2 0 333.476 1.802 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1(C)C ZINC000641814529 452295723 /nfs/dbraw/zinc/29/57/23/452295723.db2.gz MLFHWVLHSRMQBJ-CVEARBPZSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CC3CC2(C[NH3+])C3)cc1 ZINC000659450884 452300403 /nfs/dbraw/zinc/30/04/03/452300403.db2.gz HDZVXOOZJBLLIP-UHFFFAOYSA-N 2 0 346.475 1.650 20 0 EDADRP CC[NH+]1CCCN(c2cnc(N3CCC[N@@H+](CC)CC3)cn2)CC1 ZINC000663578793 452301907 /nfs/dbraw/zinc/30/19/07/452301907.db2.gz MUQXWFCKTMRWKA-UHFFFAOYSA-N 2 0 332.496 1.541 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]1NC(=O)[C@H](CC)[NH+](C)C)[NH+](C)C ZINC000665745617 452314574 /nfs/dbraw/zinc/31/45/74/452314574.db2.gz KCNHRIIOWACNFX-JONQDZQNSA-N 2 0 340.512 1.068 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652118048 452314763 /nfs/dbraw/zinc/31/47/63/452314763.db2.gz MUSMLEOEYBAJAG-ULQDDVLXSA-N 2 0 340.512 1.646 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1 ZINC000652120242 452315264 /nfs/dbraw/zinc/31/52/64/452315264.db2.gz BNDDRYRGNDVCNY-BQFCYCMXSA-N 2 0 338.496 1.114 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@]2(C[NH3+])CCCOC2)[NH+](C)C)cc1 ZINC000638048942 452317537 /nfs/dbraw/zinc/31/75/37/452317537.db2.gz ARXVZWBQZDAJIS-MJGOQNOKSA-N 2 0 333.476 1.723 20 0 EDADRP [NH3+]C[C@@H](NC(=O)C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655514048 452322306 /nfs/dbraw/zinc/32/23/06/452322306.db2.gz LEHZZTYEZWWVML-CQSZACIVSA-N 2 0 329.366 1.904 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)[NH+](C)C)cc1 ZINC000638050711 452323526 /nfs/dbraw/zinc/32/35/26/452323526.db2.gz RDLNYBWWWPVWCS-AOIWGVFYSA-N 2 0 333.476 1.735 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cn1 ZINC000638055702 452341232 /nfs/dbraw/zinc/34/12/32/452341232.db2.gz VCCVDBHPPJIENY-UHFFFAOYSA-N 2 0 325.416 1.461 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000659484190 452344208 /nfs/dbraw/zinc/34/42/08/452344208.db2.gz PJJHBFXAWSNTLS-KGXSXCIVSA-N 2 0 342.487 1.948 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659485185 452346771 /nfs/dbraw/zinc/34/67/71/452346771.db2.gz KKWFJHTULVHYAZ-WBVHZDCISA-N 2 0 334.464 1.185 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638059100 452347765 /nfs/dbraw/zinc/34/77/65/452347765.db2.gz FQMNOLZETKBHKV-UHFFFAOYSA-N 2 0 343.431 1.908 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665763799 452349433 /nfs/dbraw/zinc/34/94/33/452349433.db2.gz MCTVLPMAOAOTIL-IRXDYDNUSA-N 2 0 341.544 1.384 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000659493907 452357163 /nfs/dbraw/zinc/35/71/63/452357163.db2.gz YFKSMMPVJLBBBY-DZUCGIPZSA-N 2 0 334.439 1.730 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000638062960 452358625 /nfs/dbraw/zinc/35/86/25/452358625.db2.gz KOWPQNABNQPRNG-MJGOQNOKSA-N 2 0 333.476 1.910 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657596947 452366265 /nfs/dbraw/zinc/36/62/65/452366265.db2.gz PQTMSJUBYHBKPI-GOSISDBHSA-N 2 0 327.428 1.947 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[C@H]1C[NH3+] ZINC000652174515 452368489 /nfs/dbraw/zinc/36/84/89/452368489.db2.gz WOSZHNGYVNVYQD-XDNAFOTISA-N 2 0 346.475 1.437 20 0 EDADRP [NH3+]CCCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659509673 452373571 /nfs/dbraw/zinc/37/35/71/452373571.db2.gz GXUIZBSHUKXQFI-KRWDZBQOSA-N 2 0 330.476 1.937 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@H](N)C[NH+](C)Cc2ccccc2)C1 ZINC000638069448 452374320 /nfs/dbraw/zinc/37/43/20/452374320.db2.gz KEEZSHATJKVVJM-SJLPKXTDSA-N 2 0 332.492 1.294 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000659513908 452377133 /nfs/dbraw/zinc/37/71/33/452377133.db2.gz MCMHCZUWNHYDDJ-SJLPKXTDSA-N 2 0 346.475 1.052 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638071975 452380106 /nfs/dbraw/zinc/38/01/06/452380106.db2.gz JFBODRHDKURKQR-XOYOTBSWSA-N 2 0 331.460 1.662 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CCO1 ZINC000659520454 452382883 /nfs/dbraw/zinc/38/28/83/452382883.db2.gz QIDGVVMCUQEAEW-SJORKVTESA-N 2 0 334.464 1.439 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)CC[NH3+])cc1F ZINC000659528189 452391104 /nfs/dbraw/zinc/39/11/04/452391104.db2.gz BDHMNINNLVKWLU-ZLDLUXBVSA-N 2 0 338.427 1.316 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@]2(COC)CCCC[NH2+]2)c1 ZINC000638078658 452393204 /nfs/dbraw/zinc/39/32/04/452393204.db2.gz DYSJUZUAGLHHAS-IBGZPJMESA-N 2 0 333.476 1.913 20 0 EDADRP COC[C@]1(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCCC[NH2+]1 ZINC000638077852 452393554 /nfs/dbraw/zinc/39/35/54/452393554.db2.gz BSPMPKUPKWAEBT-NXHRZFHOSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659536125 452395853 /nfs/dbraw/zinc/39/58/53/452395853.db2.gz GEXJKIQETOTQJQ-YLFCFFPRSA-N 2 0 334.439 1.840 20 0 EDADRP CCN(C(=O)NCCCC[NH+]1CCN(CC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000663656116 452397544 /nfs/dbraw/zinc/39/75/44/452397544.db2.gz SLNANKLRAOZTPI-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000654351216 452400455 /nfs/dbraw/zinc/40/04/55/452400455.db2.gz CWWFGCOPTWDUQZ-OKZBNKHCSA-N 2 0 330.476 1.900 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652207547 452402757 /nfs/dbraw/zinc/40/27/57/452402757.db2.gz NJMJDJZKTRWDOU-QUSNUVHPSA-N 2 0 338.496 1.432 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCCC[C@@H]2CCC[NH2+]2)CCO1 ZINC000659552207 452409495 /nfs/dbraw/zinc/40/94/95/452409495.db2.gz OVLGTPNBAKXLDK-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@@H]3[NH2+]CC3(C)C)cc2)C[C@@H](C)O1 ZINC000645453362 452421458 /nfs/dbraw/zinc/42/14/58/452421458.db2.gz LWPHQMNEISNKMC-RKVPGOIHSA-N 2 0 345.487 1.910 20 0 EDADRP O=C([C@@H]1CCCC[NH+]1C1CCCC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000647709573 452443266 /nfs/dbraw/zinc/44/32/66/452443266.db2.gz YVRPBXVTZXYIAP-KSZLIROESA-N 2 0 335.492 1.451 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659589163 452445180 /nfs/dbraw/zinc/44/51/80/452445180.db2.gz LJQAEMUXILIDIK-JWZBEHFJSA-N 2 0 334.439 1.650 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659617939 452474915 /nfs/dbraw/zinc/47/49/15/452474915.db2.gz BOBRRNVYGGRMBP-QGZVFWFLSA-N 2 0 340.512 1.504 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)N[C@@H]2C[C@@H](N3CCOCC3)C23CCC3)C1 ZINC000663773298 452500718 /nfs/dbraw/zinc/50/07/18/452500718.db2.gz FFIAEWZZLXLSOG-ARFHVFGLSA-N 2 0 336.480 1.023 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652345372 452516567 /nfs/dbraw/zinc/51/65/67/452516567.db2.gz ANSHVKBQRQJVOC-MPGHIAIKSA-N 2 0 347.459 1.852 20 0 EDADRP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647786036 452520394 /nfs/dbraw/zinc/52/03/94/452520394.db2.gz HDZRYECCRKXKAR-UMHPPVOVSA-N 2 0 340.471 1.803 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)C1 ZINC000652345521 452520640 /nfs/dbraw/zinc/52/06/40/452520640.db2.gz DFWJENRLFSVJKR-ADHGMGHFSA-N 2 0 337.508 1.709 20 0 EDADRP O=C(C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccccc2)CC1 ZINC000647786151 452520654 /nfs/dbraw/zinc/52/06/54/452520654.db2.gz JDLBWXQGJSTRRQ-KZNAEPCWSA-N 2 0 342.487 1.313 20 0 EDADRP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346917 452522921 /nfs/dbraw/zinc/52/29/21/452522921.db2.gz LJRYJSLRHVRYKW-JKQORVJESA-N 2 0 325.497 1.898 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000647792269 452524396 /nfs/dbraw/zinc/52/43/96/452524396.db2.gz XSZPWIWBMDDNPB-ZMSDIMECSA-N 2 0 343.537 1.414 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000647791729 452524862 /nfs/dbraw/zinc/52/48/62/452524862.db2.gz LLNOTTJQZWYHJY-BZUAXINKSA-N 2 0 337.489 1.251 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]C1CCN(C[C@@H]2CCCO2)CC1 ZINC000655710784 452528989 /nfs/dbraw/zinc/52/89/89/452528989.db2.gz FGEWLMPGZBQQKA-MOPGFXCFSA-N 2 0 339.524 1.456 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652361182 452541574 /nfs/dbraw/zinc/54/15/74/452541574.db2.gz ZBGQNVNMEXGWRR-RZFLPCETSA-N 2 0 337.508 1.852 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)ccn1 ZINC000655736015 452548363 /nfs/dbraw/zinc/54/83/63/452548363.db2.gz CKBIHPMRIVRUIP-GOSISDBHSA-N 2 0 348.491 1.365 20 0 EDADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000663849529 452576696 /nfs/dbraw/zinc/57/66/96/452576696.db2.gz SEXQVRGYQKOMNH-QGZVFWFLSA-N 2 0 341.544 1.290 20 0 EDADRP Cn1nnc2c1CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C2 ZINC000655841337 452604150 /nfs/dbraw/zinc/60/41/50/452604150.db2.gz BJFANBRZFMQKIW-HNNXBMFYSA-N 2 0 329.448 1.403 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659714569 452605152 /nfs/dbraw/zinc/60/51/52/452605152.db2.gz XXJXDCNAZJFOSK-OAHLLOKOSA-N 2 0 338.496 1.014 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000655851018 452609255 /nfs/dbraw/zinc/60/92/55/452609255.db2.gz HZCXNJTWTGFTJA-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CC[C@@H](N)c1nc(-c2cccc(CN3CCOCC3)c2)no1 ZINC000650225909 452611381 /nfs/dbraw/zinc/61/13/81/452611381.db2.gz ZWDZNDYFUMOZNU-MRXNPFEDSA-N 2 0 345.447 1.520 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659726283 452621051 /nfs/dbraw/zinc/62/10/51/452621051.db2.gz CALFPECEYPMKFP-MRXNPFEDSA-N 2 0 346.475 1.011 20 0 EDADRP CCN1C[C@H](C)N(C(=O)C(=O)NCCC[N@H+](C)CC(C)C)C[C@H]1C ZINC000652456957 452649505 /nfs/dbraw/zinc/64/95/05/452649505.db2.gz TZBINLZEWDYKQN-CVEARBPZSA-N 2 0 340.512 1.022 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)n1 ZINC000654568440 452653149 /nfs/dbraw/zinc/65/31/49/452653149.db2.gz PKMBLXPWFMQLPH-UHFFFAOYSA-N 2 0 335.496 1.639 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000652460613 452656449 /nfs/dbraw/zinc/65/64/49/452656449.db2.gz AHEWFUAOJPVJNH-CVEARBPZSA-N 2 0 340.512 1.022 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)Cc1ccccc1 ZINC000655912839 452670323 /nfs/dbraw/zinc/67/03/23/452670323.db2.gz RBSWNTDCUUXYPT-CHWSQXEVSA-N 2 0 332.370 1.348 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000645685221 452687497 /nfs/dbraw/zinc/68/74/97/452687497.db2.gz WCIMFXMUCHDVDX-UKRRQHHQSA-N 2 0 340.265 1.833 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CCc2cn[nH]n2)CC1 ZINC000647970266 452716735 /nfs/dbraw/zinc/71/67/35/452716735.db2.gz JPALZEHVIAVIKY-AWEZNQCLSA-N 2 0 346.454 1.979 20 0 EDADRP c1cnc2nc(C3CC[NH+](CCN4CC[NH2+]CC4)CC3)ccc2c1 ZINC000655946739 452720009 /nfs/dbraw/zinc/72/00/09/452720009.db2.gz MQIRSHVLQXQIKZ-UHFFFAOYSA-N 2 0 325.460 1.714 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655957559 452736353 /nfs/dbraw/zinc/73/63/53/452736353.db2.gz BYTRCGACLFRYFQ-LBPRGKRZSA-N 2 0 346.353 1.001 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655959190 452739590 /nfs/dbraw/zinc/73/95/90/452739590.db2.gz QQABMBLKQBMDAC-IAGOWNOFSA-N 2 0 344.459 1.525 20 0 EDADRP O=C1N[C@@H]2CCCC[C@@H]2C[C@H]1[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659861221 452741052 /nfs/dbraw/zinc/74/10/52/452741052.db2.gz RHYAITZAPSGVBF-GUDVDZBRSA-N 2 0 349.519 1.868 20 0 EDADRP COC1([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCOCC1 ZINC000658135801 452746717 /nfs/dbraw/zinc/74/67/17/452746717.db2.gz FGBMBDVVAXFEJS-LPHOPBHVSA-N 2 0 348.487 1.927 20 0 EDADRP O=C([C@H]1[C@@H]2C[NH2+]C[C@@H]21)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119168 452835267 /nfs/dbraw/zinc/83/52/67/452835267.db2.gz WIQDZCOGWMQHAK-SFDCQRBFSA-N 2 0 332.473 1.079 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCOC1 ZINC000648122844 452838561 /nfs/dbraw/zinc/83/85/61/452838561.db2.gz YVLFJNBHAURLJA-IPMKNSEASA-N 2 0 345.487 1.421 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000652696352 452843614 /nfs/dbraw/zinc/84/36/14/452843614.db2.gz KKVWJHPMUHXGAZ-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000648142830 452854982 /nfs/dbraw/zinc/85/49/82/452854982.db2.gz APLFFPCJHYPTEO-HRCADAONSA-N 2 0 346.479 1.054 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC[C@@H]1CC[NH+]1Cc1ccccc1 ZINC000662142864 452878025 /nfs/dbraw/zinc/87/80/25/452878025.db2.gz OWKYEZMFTOHJMN-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2CCCCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000648178147 452891594 /nfs/dbraw/zinc/89/15/94/452891594.db2.gz VFTCPVICQFNGRB-SFHVURJKSA-N 3 0 344.503 1.628 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCCc3nc(C)no3)CC2)CC1 ZINC000645929117 452903971 /nfs/dbraw/zinc/90/39/71/452903971.db2.gz SBOHVOGAMKXJQU-UHFFFAOYSA-N 2 0 335.496 1.803 20 0 EDADRP Cc1cc(C)n(-c2cncc(NCCN(C)CCC[NH+](C)C)n2)n1 ZINC000664248304 452928102 /nfs/dbraw/zinc/92/81/02/452928102.db2.gz ZBIHHBQFRWVVBS-UHFFFAOYSA-N 2 0 331.468 1.575 20 0 EDADRP c1ccc2c(c1)C[C@H]([NH2+]C1CCN(CCN3CCOCC3)CC1)CN2 ZINC000650716016 452947989 /nfs/dbraw/zinc/94/79/89/452947989.db2.gz PRTSJUCZMBFLQM-IBGZPJMESA-N 2 0 344.503 1.409 20 0 EDADRP C[C@@H]1CCC[C@@H](CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)O1 ZINC000666597514 452998673 /nfs/dbraw/zinc/99/86/73/452998673.db2.gz RCJXCYLYNRKVHR-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccc4c(c3)C[NH2+]C4)CC2)C1 ZINC000646003178 452998823 /nfs/dbraw/zinc/99/88/23/452998823.db2.gz VNXWVSXGEQJFPR-SFHVURJKSA-N 2 0 328.460 1.142 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)c1cccs1 ZINC000666602757 453001832 /nfs/dbraw/zinc/00/18/32/453001832.db2.gz RGKAIESDOYUXLA-CQSZACIVSA-N 2 0 346.456 1.564 20 0 EDADRP c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)n2c1CCCC2 ZINC000662283111 453006163 /nfs/dbraw/zinc/00/61/63/453006163.db2.gz QWYHGJNMNTXUBB-WBVHZDCISA-N 2 0 330.476 1.920 20 0 EDADRP C[C@@H](CCO)N(C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000650802819 453007635 /nfs/dbraw/zinc/00/76/35/453007635.db2.gz XSKFEJYLFNUDOR-INIZCTEOSA-N 2 0 349.479 1.006 20 0 EDADRP c1cc2c(cc1C[N@H+](CCN1CCOCC1)CC1CC1)C[NH2+]CC2 ZINC000662315519 453032678 /nfs/dbraw/zinc/03/26/78/453032678.db2.gz QJGNKHWXYNACAO-UHFFFAOYSA-N 2 0 329.488 1.877 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664410633 453072983 /nfs/dbraw/zinc/07/29/83/453072983.db2.gz YBJURFWXJJCNRH-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660152883 453084245 /nfs/dbraw/zinc/08/42/45/453084245.db2.gz CCEOZCXQQUVOBG-QZTJIDSGSA-N 2 0 338.540 1.497 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)CC1 ZINC000662384632 453095021 /nfs/dbraw/zinc/09/50/21/453095021.db2.gz RDPOKXFTEDCKLA-UHFFFAOYSA-N 2 0 336.505 1.151 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)C1 ZINC000662387714 453097104 /nfs/dbraw/zinc/09/71/04/453097104.db2.gz HPVBLQWZRSZZQL-LSDHHAIUSA-N 2 0 333.480 1.729 20 0 EDADRP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2C[C@@H](O)CC[C@@H]2C)CC1 ZINC000646141429 453150059 /nfs/dbraw/zinc/15/00/59/453150059.db2.gz YDKAZTFKTIICNW-LNLFQRSKSA-N 2 0 345.487 1.737 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662523633 453243522 /nfs/dbraw/zinc/24/35/22/453243522.db2.gz PIGSAPZHNBBIPM-CQSZACIVSA-N 2 0 336.484 1.443 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000648769595 453247244 /nfs/dbraw/zinc/24/72/44/453247244.db2.gz BPKGJDPJXUIHMN-CRAIPNDOSA-N 2 0 333.476 1.626 20 0 EDADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648795231 453279543 /nfs/dbraw/zinc/27/95/43/453279543.db2.gz XPDYDTOMKPAREE-YQVWRLOYSA-N 2 0 344.503 1.654 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[NH+]2CCCC2)c1 ZINC000653105937 453287650 /nfs/dbraw/zinc/28/76/50/453287650.db2.gz NUAHXPUQEAFGLC-MSOLQXFVSA-N 2 0 348.491 1.227 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000646290734 453291539 /nfs/dbraw/zinc/29/15/39/453291539.db2.gz DBMDBISVERPZMA-KRWDZBQOSA-N 2 0 328.460 1.804 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662567185 453294132 /nfs/dbraw/zinc/29/41/32/453294132.db2.gz IQXMRMRQAGXROT-DOXZYTNZSA-N 2 0 341.455 1.987 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)COCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000646296450 453294596 /nfs/dbraw/zinc/29/45/96/453294596.db2.gz NSUNMSGIRWMJNQ-AEFFLSMTSA-N 2 0 333.432 1.065 20 0 EDADRP CN(C(=O)[C@H](N)CC[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000653117765 453306849 /nfs/dbraw/zinc/30/68/49/453306849.db2.gz VMJXYSITMIRAHN-GOSISDBHSA-N 2 0 332.492 1.388 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCN(C(=O)c3cc4c(s3)CC[NH2+]C4)C2)C1 ZINC000662583813 453310828 /nfs/dbraw/zinc/31/08/28/453310828.db2.gz WTDBTCYCAKZIIR-BPLDGKMQSA-N 2 0 349.500 1.752 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000653124191 453317068 /nfs/dbraw/zinc/31/70/68/453317068.db2.gz SYWMXPMZZCOUJS-ZWKOTPCHSA-N 2 0 328.460 1.693 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646338148 453329533 /nfs/dbraw/zinc/32/95/33/453329533.db2.gz CBVDVGARPNIOPD-KSZLIROESA-N 2 0 328.460 1.504 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc2c1C[NH2+]C2 ZINC000662614615 453333480 /nfs/dbraw/zinc/33/34/80/453333480.db2.gz SOMSHLDACJIIFA-UHFFFAOYSA-N 2 0 343.471 1.911 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cn2)CC1 ZINC000653147859 453334672 /nfs/dbraw/zinc/33/46/72/453334672.db2.gz CTZQDWDNSGOTBA-HZPDHXFCSA-N 2 0 329.448 1.303 20 0 EDADRP CN1CC(=O)N(CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)C1=O ZINC000660481123 453337078 /nfs/dbraw/zinc/33/70/78/453337078.db2.gz IZTIEVSXTSYOBI-CQSZACIVSA-N 2 0 345.447 1.293 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1CCN(CC(F)(F)F)CC1 ZINC000660486687 453343822 /nfs/dbraw/zinc/34/38/22/453343822.db2.gz MEGULQCVUZNWDL-HIFRSBDPSA-N 2 0 339.446 1.940 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000655246304 453370225 /nfs/dbraw/zinc/37/02/25/453370225.db2.gz HABVIOWXLWCMKX-OKZBNKHCSA-N 2 0 330.476 1.750 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653183756 453373452 /nfs/dbraw/zinc/37/34/52/453373452.db2.gz JJQFNTIFJQBDFF-ZJIFWQFVSA-N 2 0 325.497 1.756 20 0 EDADRP CCN(C(=O)NCCC[NH+]1CCCO[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000664758951 453383186 /nfs/dbraw/zinc/38/31/86/453383186.db2.gz RBYWKRRPASZXDD-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP CC[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662680397 453400858 /nfs/dbraw/zinc/40/08/58/453400858.db2.gz TVFQIUDKLQXAAC-SQNIBIBYSA-N 2 0 331.460 1.303 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667099624 453404648 /nfs/dbraw/zinc/40/46/48/453404648.db2.gz JNRJUECSRYLQPW-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000662694316 453414399 /nfs/dbraw/zinc/41/43/99/453414399.db2.gz OXXQQFAVXWWXAV-LSDHHAIUSA-N 2 0 334.468 1.053 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662694767 453416110 /nfs/dbraw/zinc/41/61/10/453416110.db2.gz CJJNRKRDEHRKTD-OWCLPIDISA-N 2 0 348.495 1.443 20 0 EDADRP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000655299293 453422163 /nfs/dbraw/zinc/42/21/63/453422163.db2.gz ZBUKAGYTOYDLHV-RBUKOAKNSA-N 2 0 345.487 1.810 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)C[C@@H]21 ZINC000667148644 453439506 /nfs/dbraw/zinc/43/95/06/453439506.db2.gz JKFRRSHRAPWJNI-UHOFOFEASA-N 2 0 326.404 1.858 20 0 EDADRP Cc1nc(-c2ccc(C)c(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])c2)n[nH]1 ZINC000667174495 453452956 /nfs/dbraw/zinc/45/29/56/453452956.db2.gz HLBIHXPICASFFT-AWEZNQCLSA-N 2 0 343.435 1.195 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000662742606 453469964 /nfs/dbraw/zinc/46/99/64/453469964.db2.gz FQHJDFYDZUCBQI-QGZVFWFLSA-N 2 0 346.475 1.183 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCO[C@H]2C[NH3+])[C@H]1c1cccs1 ZINC000662746965 453476059 /nfs/dbraw/zinc/47/60/59/453476059.db2.gz ZOGLBUYSGCOFTK-NYTXWWLZSA-N 2 0 337.489 1.611 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000662747737 453476326 /nfs/dbraw/zinc/47/63/26/453476326.db2.gz DCEQUFNCQAEGJE-SFHVURJKSA-N 2 0 345.487 1.648 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@@]23CCC[NH2+]C3)cc1 ZINC000655446910 453533782 /nfs/dbraw/zinc/53/37/82/453533782.db2.gz NBZAUJCLFPYRDV-AZUAARDMSA-N 2 0 345.487 1.675 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000662815848 453547895 /nfs/dbraw/zinc/54/78/95/453547895.db2.gz XVAOMBUHDGFGII-UXLLHSPISA-N 2 0 346.479 1.197 20 0 EDADRP CCC[C@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[N@@H+]1CCOC ZINC000662826017 453553091 /nfs/dbraw/zinc/55/30/91/453553091.db2.gz QPMDMGBBSPZXOD-INIZCTEOSA-N 2 0 331.460 1.863 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCO1 ZINC000665119889 453582433 /nfs/dbraw/zinc/58/24/33/453582433.db2.gz PMPICKFCOWWBMY-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659033558 453590141 /nfs/dbraw/zinc/59/01/41/453590141.db2.gz JNWQSFVGDAJYQD-QGZVFWFLSA-N 2 0 341.415 1.398 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C[NH+]2CCN(CC)CC2)C1 ZINC000660829455 453592523 /nfs/dbraw/zinc/59/25/23/453592523.db2.gz GFBLXVROXOXGHD-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000662899450 453594506 /nfs/dbraw/zinc/59/45/06/453594506.db2.gz DCVPKGWIIMWKJW-HNAYVOBHSA-N 2 0 344.503 1.947 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000660841705 453600349 /nfs/dbraw/zinc/60/03/49/453600349.db2.gz QSHZABIJLZKMAJ-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@H](C(=O)NC1CCN(C(=O)CCC[NH2+]C)CC1)[NH+](CC)CC ZINC000662942493 453618045 /nfs/dbraw/zinc/61/80/45/453618045.db2.gz IKUMYNKPROWAIA-MRXNPFEDSA-N 2 0 340.512 1.214 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660866584 453623214 /nfs/dbraw/zinc/62/32/14/453623214.db2.gz PFOOSGJOIWBQEC-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659089987 453624826 /nfs/dbraw/zinc/62/48/26/453624826.db2.gz GSOSBMFJJLBKLF-AWEZNQCLSA-N 2 0 346.475 1.581 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000665255578 453627138 /nfs/dbraw/zinc/62/71/38/453627138.db2.gz XBIXRJANDRVRLU-FXECBMLZSA-N 2 0 333.476 1.497 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659096076 453629161 /nfs/dbraw/zinc/62/91/61/453629161.db2.gz KSGYGKXCQCGVSH-DOMZBBRYSA-N 2 0 332.448 1.634 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665290937 453638030 /nfs/dbraw/zinc/63/80/30/453638030.db2.gz PFAXGRSCNAKRLB-PBHICJAKSA-N 2 0 341.459 1.641 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)C1 ZINC000660908847 453642408 /nfs/dbraw/zinc/64/24/08/453642408.db2.gz GGLQWFREIFBAKE-YESZJQIVSA-N 2 0 338.496 1.413 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000659248044 453684157 /nfs/dbraw/zinc/68/41/57/453684157.db2.gz SBKCGMKMAUOHQF-MSOLQXFVSA-N 2 0 333.476 1.862 20 0 EDADRP [NH3+]CCn1cc(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)nn1 ZINC000659285737 453700819 /nfs/dbraw/zinc/70/08/19/453700819.db2.gz SAEQJJKZJOAODL-UHFFFAOYSA-N 2 0 342.447 1.518 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](C(C)(C)C)C2)CC[N@@H+]1CC(C)(C)O ZINC000665554527 453746157 /nfs/dbraw/zinc/74/61/57/453746157.db2.gz NFDYXVSXGNDONV-CABCVRRESA-N 2 0 340.512 1.346 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)CN1CC[NH+](C)CC1 ZINC000657347345 453770683 /nfs/dbraw/zinc/77/06/83/453770683.db2.gz XRTKXMHTVDWIAV-FXAWDEMLSA-N 2 0 347.503 1.827 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000663363821 453779962 /nfs/dbraw/zinc/77/99/62/453779962.db2.gz NCOBTNWPMVFEAQ-UXHICEINSA-N 2 0 347.503 1.322 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000663448121 453801215 /nfs/dbraw/zinc/80/12/15/453801215.db2.gz LJTJCEWOWBPHEK-UHFFFAOYSA-N 2 0 341.544 1.434 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[NH+]1C(C)(C)C ZINC000661402619 453811435 /nfs/dbraw/zinc/81/14/35/453811435.db2.gz HKEUJZCAEMHQJF-LSDHHAIUSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)Cc2cccc(OC)n2)CC1 ZINC000663506534 453812507 /nfs/dbraw/zinc/81/25/07/453812507.db2.gz UCMIPVKROYDQOV-OAHLLOKOSA-N 2 0 348.491 1.601 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[NH+](C)C)c1ccc(CNC(=O)[C@H](C)[NH+](C)C)cc1 ZINC000680265479 486733684 /nfs/dbraw/zinc/73/36/84/486733684.db2.gz UFSUHNHTUGMGMG-KKUMJFAQSA-N 2 0 348.491 1.380 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)ccc21 ZINC000415646309 486762465 /nfs/dbraw/zinc/76/24/65/486762465.db2.gz MQXWZMZCVZCEEL-CKEIUWERSA-N 2 0 344.459 1.560 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000680471101 486783815 /nfs/dbraw/zinc/78/38/15/486783815.db2.gz UWGHJOXMMFERLU-JKSUJKDBSA-N 2 0 329.510 1.265 20 0 EDADRP CC[N@@H+]1CCN(C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)C[C@H]1C ZINC000683812559 486825708 /nfs/dbraw/zinc/82/57/08/486825708.db2.gz BCPAPHDXGYLQCK-CQSZACIVSA-N 2 0 334.468 1.708 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000676699806 486846030 /nfs/dbraw/zinc/84/60/30/486846030.db2.gz FLSPQLYRNLVTPY-QZTJIDSGSA-N 2 0 335.492 1.763 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000667753183 486949880 /nfs/dbraw/zinc/94/98/80/486949880.db2.gz CUFMMPJRNGZOGI-MRXNPFEDSA-N 2 0 346.475 1.547 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000681162127 486954902 /nfs/dbraw/zinc/95/49/02/486954902.db2.gz YOEORJFYFRCBNC-HZPDHXFCSA-N 2 0 339.528 1.042 20 0 EDADRP COCCc1ccc(OC[C@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000667875655 487000884 /nfs/dbraw/zinc/00/08/84/487000884.db2.gz QOHGUISKNMHAKY-INIZCTEOSA-N 2 0 336.476 1.689 20 0 EDADRP O=C(N[C@H]1CC[NH+](CC2CC2)C1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000673666858 487083308 /nfs/dbraw/zinc/08/33/08/487083308.db2.gz KSBLNFPAAASOIE-ICSRJNTNSA-N 2 0 343.471 1.224 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2CC)C1 ZINC000673775901 487111201 /nfs/dbraw/zinc/11/12/01/487111201.db2.gz FIEXCFYVJXOJSK-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000684955548 487200419 /nfs/dbraw/zinc/20/04/19/487200419.db2.gz PLOMBNGFAXLVQK-ZDUSSCGKSA-N 2 0 343.393 2.000 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674302407 487232656 /nfs/dbraw/zinc/23/26/56/487232656.db2.gz MXWXHECAJBKXPP-INIZCTEOSA-N 2 0 325.497 1.581 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000681975986 487270111 /nfs/dbraw/zinc/27/01/11/487270111.db2.gz APRUYQCKMIXZGL-HOTGVXAUSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1ccccc1-n1cncn1 ZINC000678338478 487291881 /nfs/dbraw/zinc/29/18/81/487291881.db2.gz AWWNFAJJKVABIW-QRQLOZEOSA-N 2 0 341.459 1.951 20 0 EDADRP Cn1nc2c(c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCCC2 ZINC000675794802 487444646 /nfs/dbraw/zinc/44/46/46/487444646.db2.gz XOCWIMZKKASJSA-UHFFFAOYSA-N 2 0 349.523 1.645 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1NC(=O)NC/C=C\C[NH3+] ZINC000669533117 485509800 /nfs/dbraw/zinc/50/98/00/485509800.db2.gz QOOWLHXANYDZAE-SXZNDUFUSA-N 2 0 330.476 1.957 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554265 485552730 /nfs/dbraw/zinc/55/27/30/485552730.db2.gz ZTHNNEORHUOVAC-OAUYIBNBSA-N 2 0 332.448 1.619 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669561170 485569227 /nfs/dbraw/zinc/56/92/27/485569227.db2.gz TUAIWADPNZWAHX-YSHGAJCASA-N 2 0 342.487 1.900 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)CCCO1 ZINC000669570868 485592414 /nfs/dbraw/zinc/59/24/14/485592414.db2.gz CIHCTUPKYVHOQR-SJLPKXTDSA-N 2 0 338.496 1.272 20 0 EDADRP CCn1c([C@@H]2C[NH+]3CCC[C@@H]3CO2)nnc1N1CC[N@H+](CC)[C@H](C)C1 ZINC000669131918 485719369 /nfs/dbraw/zinc/71/93/69/485719369.db2.gz VFGYBOQDXMKNCI-OAGGEKHMSA-N 2 0 348.495 1.364 20 0 EDADRP c1cc2n(n1)C[C@@H](C[NH2+]CC1CC[NH+](Cc3ccncc3)CC1)CN2 ZINC000668512011 485828244 /nfs/dbraw/zinc/82/82/44/485828244.db2.gz IRWXYXVNGDQXQB-SFHVURJKSA-N 2 0 340.475 1.822 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1)C1CC[NH+](C)CC1 ZINC000396467293 485895872 /nfs/dbraw/zinc/89/58/72/485895872.db2.gz UMZHKWRHMQOLLR-CQSZACIVSA-N 2 0 339.505 1.757 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC000343775864 485936735 /nfs/dbraw/zinc/93/67/35/485936735.db2.gz FOYWSAHWSDTBLO-NXHRZFHOSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000345227886 485966625 /nfs/dbraw/zinc/96/66/25/485966625.db2.gz DYCNSCCHJUNLGJ-MSOLQXFVSA-N 2 0 337.508 1.534 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000345752619 485980817 /nfs/dbraw/zinc/98/08/17/485980817.db2.gz DZXZSZMRVYZXBA-BGTYHANMSA-N 2 0 337.508 1.578 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]3CCCC[NH2+]3)CC2)c1 ZINC000237719374 485999175 /nfs/dbraw/zinc/99/91/75/485999175.db2.gz SLKWORFGHJZHHF-GOSISDBHSA-N 2 0 344.503 1.765 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000238025325 486024955 /nfs/dbraw/zinc/02/49/55/486024955.db2.gz VZFNLNDUSRKWHY-QGZVFWFLSA-N 2 0 330.476 1.457 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NCC[NH2+]C2CC2)[NH+]2CCCC2)c1 ZINC000668678503 486033158 /nfs/dbraw/zinc/03/31/58/486033158.db2.gz YYKXWWUUVDXMDT-GOSISDBHSA-N 2 0 346.475 1.883 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)C1 ZINC000669405729 486077386 /nfs/dbraw/zinc/07/73/86/486077386.db2.gz XGTBPEWVSZMSJV-IDCNUPLLSA-N 2 0 346.475 1.580 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)c1ccco1 ZINC000669418774 486137893 /nfs/dbraw/zinc/13/78/93/486137893.db2.gz HYSBOUCZMYWAGT-FMKPAKJESA-N 2 0 338.452 1.420 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NC/C=C\C[NH3+])CC2)cc1 ZINC000669422681 486143214 /nfs/dbraw/zinc/14/32/14/486143214.db2.gz PQYYHIYPGVQLQX-IHWYPQMZSA-N 2 0 346.475 1.721 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000668813893 486222347 /nfs/dbraw/zinc/22/23/47/486222347.db2.gz AFIUMDXTWYODNV-MAUKXSAKSA-N 2 0 346.475 1.540 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CCO1 ZINC000669479690 486241048 /nfs/dbraw/zinc/24/10/48/486241048.db2.gz JEONGWNKLMVQRO-YQQAZPJKSA-N 2 0 348.491 1.873 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000391017995 486484860 /nfs/dbraw/zinc/48/48/60/486484860.db2.gz ZFLDDVVYBIKRFK-ZWKOTPCHSA-N 2 0 330.476 1.048 20 0 EDADRP CCOc1ccc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)nc1 ZINC000088504022 491195758 /nfs/dbraw/zinc/19/57/58/491195758.db2.gz ZXVAHBNEIZWKOH-UHFFFAOYSA-N 2 0 334.464 1.370 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)CC1 ZINC000073471679 491008822 /nfs/dbraw/zinc/00/88/22/491008822.db2.gz UAEWKNFMBSFBED-UHFFFAOYSA-N 2 0 348.491 1.593 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000168511064 533893861 /nfs/dbraw/zinc/89/38/61/533893861.db2.gz UYLOQALSVBLKAL-BGTYHANMSA-N 2 0 331.460 1.221 20 0 EDADRP CC(C)O[C@H]1C[C@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000333233241 534933355 /nfs/dbraw/zinc/93/33/55/534933355.db2.gz CKEOXDFWYZJAJF-CVYDXHPNSA-N 2 0 337.508 1.815 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000067393646 534952590 /nfs/dbraw/zinc/95/25/90/534952590.db2.gz BCCAZSUXBSMLRN-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128284 535043511 /nfs/dbraw/zinc/04/35/11/535043511.db2.gz CVCMPDKVMKUNJS-SQGPQFPESA-N 2 0 349.519 1.996 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1)C(C)C ZINC000339616891 535065493 /nfs/dbraw/zinc/06/54/93/535065493.db2.gz SVQUZMUTJYUXJM-UHFFFAOYSA-N 2 0 340.512 1.164 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000333492960 535082832 /nfs/dbraw/zinc/08/28/32/535082832.db2.gz CODBXVFXLLHJHU-CVEARBPZSA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCS[C@H]3COCC[C@H]32)CC1 ZINC000249088107 535200081 /nfs/dbraw/zinc/20/00/81/535200081.db2.gz UEBFXSWMMUSVLY-SJORKVTESA-N 2 0 327.538 1.609 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@H]2CC[N@H+](C)C2)CC1 ZINC000264328125 535755650 /nfs/dbraw/zinc/75/56/50/535755650.db2.gz RWJRXLDJKVYHMF-MRXNPFEDSA-N 2 0 345.491 1.902 20 0 EDADRP CN(CCC(F)(F)F)C(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000346287897 535842772 /nfs/dbraw/zinc/84/27/72/535842772.db2.gz BZPWQNHHIMMBAA-UHFFFAOYSA-N 2 0 338.418 1.948 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCCN1 ZINC000261970307 535916460 /nfs/dbraw/zinc/91/64/60/535916460.db2.gz QLVKGRQAXWOMOT-QRVBRYPASA-N 2 0 347.503 1.874 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCCN1 ZINC000261970302 535916509 /nfs/dbraw/zinc/91/65/09/535916509.db2.gz QLVKGRQAXWOMOT-GUDVDZBRSA-N 2 0 347.503 1.874 20 0 EDADRP C[N@H+](CCNC(=O)NCCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000264907845 536378175 /nfs/dbraw/zinc/37/81/75/536378175.db2.gz WDOQCMAYQJUBFT-UHFFFAOYSA-N 2 0 330.476 1.828 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)[NH+](C)C1 ZINC000347676088 536774344 /nfs/dbraw/zinc/77/43/44/536774344.db2.gz XLCMJOKCXPDRIO-IXDOHACOSA-N 2 0 340.512 1.467 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCC2([NH+](C)C)CCCC2)[N@H+](C)C1 ZINC000345852267 536778208 /nfs/dbraw/zinc/77/82/08/536778208.db2.gz LFDKFVIYBPELEK-GJZGRUSLSA-N 2 0 326.485 1.221 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C ZINC000073721170 536787207 /nfs/dbraw/zinc/78/72/07/536787207.db2.gz HDFKLQTWGZWNNS-MQVJKMGUSA-N 2 0 326.485 1.269 20 0 EDADRP Cc1cc(N[C@@H](C)C[NH+]2CCN(c3ccccc3)CC2)nc(N)[nH+]1 ZINC000742413199 579451584 /nfs/dbraw/zinc/45/15/84/579451584.db2.gz YWULPLUPXFUXKW-HNNXBMFYSA-N 2 0 326.448 1.990 20 0 EDADRP O=C(CC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1)Nc1ccc(N2CCOCC2)cc1 ZINC000728913415 578554241 /nfs/dbraw/zinc/55/42/41/578554241.db2.gz BMGFDPKQWMDLPZ-IYBDPMFKSA-N 2 0 344.459 1.003 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000729618649 578584998 /nfs/dbraw/zinc/58/49/98/578584998.db2.gz KQPCCUCZRKWLAG-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000734283128 578806556 /nfs/dbraw/zinc/80/65/56/578806556.db2.gz QGDSGTUDPCSNCZ-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000747556744 579648886 /nfs/dbraw/zinc/64/88/86/579648886.db2.gz JBVOCQCJICZPAO-MRXNPFEDSA-N 2 0 336.484 1.831 20 0 EDADRP CN1CCN(C(=S)NCCN2CCOCC2)[C@@H](c2ccccc2)C1 ZINC000747755237 579657170 /nfs/dbraw/zinc/65/71/70/579657170.db2.gz FQMKTPAALTWQIP-QGZVFWFLSA-N 2 0 348.516 1.182 20 0 EDADRP C[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCCC1 ZINC000748617212 579695365 /nfs/dbraw/zinc/69/53/65/579695365.db2.gz IRTWUISNVRPPAK-GDBMZVCRSA-N 2 0 328.526 1.597 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000749818091 579740954 /nfs/dbraw/zinc/74/09/54/579740954.db2.gz GJBMVISLWNRKHI-SJJHQCBESA-N 2 0 338.496 1.269 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000749827566 579741290 /nfs/dbraw/zinc/74/12/90/579741290.db2.gz HNIJAKVNBLBMOP-HNNXBMFYSA-N 2 0 342.553 1.103 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=S)NCC[NH+](C)C ZINC000749829014 579741400 /nfs/dbraw/zinc/74/14/00/579741400.db2.gz KQWTVBGLINDFDT-WBVHZDCISA-N 2 0 334.533 1.923 20 0 EDADRP CC(C)C[C@@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000757610427 579968997 /nfs/dbraw/zinc/96/89/97/579968997.db2.gz DWAJROVUQLQIFM-HNNXBMFYSA-N 2 0 336.480 1.861 20 0 EDADRP CNC(=O)C[NH+]1CCC(Nc2cc[nH+]c3cc(OC)ccc23)CC1 ZINC000765465765 580143173 /nfs/dbraw/zinc/14/31/73/580143173.db2.gz AHEDISJJIORCNZ-UHFFFAOYSA-N 2 0 328.416 1.866 20 0 EDADRP C[C@@H](NC(=S)NCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000778533031 580467052 /nfs/dbraw/zinc/46/70/52/580467052.db2.gz XWAHQIFLSZXRQG-NVXWUHKLSA-N 2 0 334.533 1.923 20 0 EDADRP COc1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1F ZINC000784460000 580621335 /nfs/dbraw/zinc/62/13/35/580621335.db2.gz NGRKMVQNBPCZIP-UHFFFAOYSA-N 2 0 326.416 1.791 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786783284 580679079 /nfs/dbraw/zinc/67/90/79/580679079.db2.gz MEBUYQZCPNVYNI-INIZCTEOSA-N 2 0 345.491 1.504 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@@H](Oc2ccncc2)C1 ZINC000788332151 580717491 /nfs/dbraw/zinc/71/74/91/580717491.db2.gz KBNXNEOQXDXJEE-OAHLLOKOSA-N 2 0 336.505 1.997 20 0 EDADRP O[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)cn1 ZINC000799296944 581024309 /nfs/dbraw/zinc/02/43/09/581024309.db2.gz JLCWBLJDROUIAJ-GOSISDBHSA-N 2 0 337.439 1.688 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNc3cc[nH+]cc3CO)cc2)CC1 ZINC000891837222 590646062 /nfs/dbraw/zinc/64/60/62/590646062.db2.gz CIXMFBAIMYAIPO-UHFFFAOYSA-N 2 0 340.471 1.745 20 0 EDADRP Cc1[nH+]ccc(NCCC[NH+]2CCC(O)CC2)c1Br ZINC000891904951 590680996 /nfs/dbraw/zinc/68/09/96/590680996.db2.gz NDUUKCLMEUFGGR-UHFFFAOYSA-N 2 0 328.254 1.833 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC1 ZINC000891953213 590704370 /nfs/dbraw/zinc/70/43/70/590704370.db2.gz NYAHHYFGYCCJBU-MRXNPFEDSA-N 2 0 338.496 1.319 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H](C)CCCC[NH3+] ZINC000892134720 590817038 /nfs/dbraw/zinc/81/70/38/590817038.db2.gz OLYZYXKKQOGGOE-OAHLLOKOSA-N 2 0 328.501 1.504 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)C2)cc1 ZINC000892169000 590839955 /nfs/dbraw/zinc/83/99/55/590839955.db2.gz HUWMOFSEZYWBGR-KSZLIROESA-N 2 0 330.476 1.996 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(F)cc1 ZINC000892173039 590844229 /nfs/dbraw/zinc/84/42/29/590844229.db2.gz QRKMILFKMFOYNA-HLLBOEOZSA-N 2 0 334.439 1.631 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1C(F)(F)F ZINC000892186758 590853826 /nfs/dbraw/zinc/85/38/26/590853826.db2.gz CCWOBECSBOASIS-MLGHIDQZSA-N 2 0 334.386 1.153 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CCSC1 ZINC000893417774 590857548 /nfs/dbraw/zinc/85/75/48/590857548.db2.gz SYRMRKNLDWJXGH-INIZCTEOSA-N 2 0 328.526 1.455 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCC34CC(C3)C[NH2+]4)C2)cc1 ZINC000892262720 590894696 /nfs/dbraw/zinc/89/46/96/590894696.db2.gz VDUITJRYEZPALE-HFCFLWKCSA-N 2 0 328.460 1.621 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000892266136 590899277 /nfs/dbraw/zinc/89/92/77/590899277.db2.gz BNQDNRGOWIONPY-GOEBONIOSA-N 2 0 329.448 1.444 20 0 EDADRP C[NH2+]CCOCCNC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000892281571 590910931 /nfs/dbraw/zinc/91/09/31/590910931.db2.gz ISZSULUKFRTFHK-UHFFFAOYSA-N 2 0 328.501 1.232 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCCOCCC[NH3+] ZINC000892296264 590921659 /nfs/dbraw/zinc/92/16/59/590921659.db2.gz QQWNFWGNFXNIHH-SJLPKXTDSA-N 2 0 348.491 1.419 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892330414 590955564 /nfs/dbraw/zinc/95/55/64/590955564.db2.gz NATPIRBMXKIZNY-IBGZPJMESA-N 2 0 328.460 1.570 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000892343832 590971905 /nfs/dbraw/zinc/97/19/05/590971905.db2.gz SOSAHOSZDMASAW-QGZVFWFLSA-N 2 0 326.444 1.488 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892385048 591004349 /nfs/dbraw/zinc/00/43/49/591004349.db2.gz FTJQSOPYJYCGPK-HOTGVXAUSA-N 2 0 339.528 1.090 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)[C@H]1OC ZINC000892397356 591009968 /nfs/dbraw/zinc/00/99/68/591009968.db2.gz LZKDQQXCYRKFIA-VAMGGRTRSA-N 2 0 348.487 1.925 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891347029 591053337 /nfs/dbraw/zinc/05/33/37/591053337.db2.gz FQZHGODSYCMSPQ-QZTJIDSGSA-N 2 0 328.460 1.581 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)C1 ZINC000892529765 591060319 /nfs/dbraw/zinc/06/03/19/591060319.db2.gz AJFKNEGJWHQBPE-ROUUACIJSA-N 2 0 330.476 1.963 20 0 EDADRP COCCC1(NC(=O)NC2CCC(C)([NH+](C)C)CC2)CC[NH2+]CC1 ZINC000892531821 591061748 /nfs/dbraw/zinc/06/17/48/591061748.db2.gz CZEWPMCIVZJZTP-UHFFFAOYSA-N 2 0 340.512 1.707 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)cc1C ZINC000892546015 591067981 /nfs/dbraw/zinc/06/79/81/591067981.db2.gz YTLBCEALGHUCJR-UHFFFAOYSA-N 2 0 333.476 1.897 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891448568 591075504 /nfs/dbraw/zinc/07/55/04/591075504.db2.gz RBGPXBCXXXYICU-BZSNNMDCSA-N 2 0 328.460 1.797 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891455246 591077513 /nfs/dbraw/zinc/07/75/13/591077513.db2.gz AMHMJAIUHTYROQ-UHFFFAOYSA-N 2 0 346.475 1.792 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCc2sc(C[NH3+])nc2C1)C(C)C ZINC000891483742 591088474 /nfs/dbraw/zinc/08/84/74/591088474.db2.gz BRZKOISQDIHWEF-UHFFFAOYSA-N 2 0 325.482 1.400 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000891537409 591112071 /nfs/dbraw/zinc/11/20/71/591112071.db2.gz BXPXQECUZKNSSE-MSOLQXFVSA-N 2 0 330.476 1.875 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NC[C@@H]1C[NH+](C)C[C@H]1c1ccccc1 ZINC000892660025 591114420 /nfs/dbraw/zinc/11/44/20/591114420.db2.gz YAYFXZYMMZYBND-MSOLQXFVSA-N 2 0 332.492 1.971 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000891569068 591130355 /nfs/dbraw/zinc/13/03/55/591130355.db2.gz OEUGSLRKPHQFTR-QWHCGFSZSA-N 2 0 334.455 1.897 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)Cc1ccccc1 ZINC000891576264 591132054 /nfs/dbraw/zinc/13/20/54/591132054.db2.gz KDQLCULXRLQCLI-QZTJIDSGSA-N 2 0 330.476 1.730 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576710 591133295 /nfs/dbraw/zinc/13/32/95/591133295.db2.gz NMGJJFXLAHWTQW-JKSUJKDBSA-N 2 0 338.496 1.319 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891634575 591159968 /nfs/dbraw/zinc/15/99/68/591159968.db2.gz OSZOMWIAJKUWJN-MRXNPFEDSA-N 2 0 340.512 1.789 20 0 EDADRP CCCN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CC[NH2+]CC1 ZINC000892757682 591163090 /nfs/dbraw/zinc/16/30/90/591163090.db2.gz WDCCFUHYMQWBAP-MRXNPFEDSA-N 2 0 338.496 1.319 20 0 EDADRP CN(C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2)C1(C[NH3+])CCCCC1 ZINC000892760447 591165549 /nfs/dbraw/zinc/16/55/49/591165549.db2.gz OWWUJKNYDHAZTB-HNNXBMFYSA-N 2 0 338.496 1.448 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC[N@@H+]1C ZINC000892788427 591178569 /nfs/dbraw/zinc/17/85/69/591178569.db2.gz BZNPARNFCZKKJZ-ZWKOTPCHSA-N 2 0 330.476 1.683 20 0 EDADRP C[C@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[N@@H+](C2CC2)C1 ZINC000892878728 591211438 /nfs/dbraw/zinc/21/14/38/591211438.db2.gz DCHQDAOJCGOQDO-GFCCVEGCSA-N 2 0 349.504 1.496 20 0 EDADRP CN1CC[N@H+](CCCNc2cc[nH+]cc2CO)[C@@H](c2ccccc2)C1 ZINC000891762374 591215171 /nfs/dbraw/zinc/21/51/71/591215171.db2.gz NAUZTYRKCWZKIW-HXUWFJFHSA-N 2 0 340.471 1.787 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000891778972 591222169 /nfs/dbraw/zinc/22/21/69/591222169.db2.gz LHTZVEDHENJCHC-UHFFFAOYSA-N 2 0 348.491 1.490 20 0 EDADRP COC(=O)[C@H]1[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1(F)F ZINC000894190742 591222847 /nfs/dbraw/zinc/22/28/47/591222847.db2.gz WYHLFSMXVLAQKL-HUUCEWRRSA-N 2 0 342.386 1.771 20 0 EDADRP CC(C)(C)OC(=O)N1CC(C[NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000894201361 591225411 /nfs/dbraw/zinc/22/54/11/591225411.db2.gz ZTHTXFCLEPDGKG-UHFFFAOYSA-N 2 0 327.469 1.290 20 0 EDADRP CO[C@](C)(C[NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1CC1 ZINC000895685987 591248758 /nfs/dbraw/zinc/24/87/58/591248758.db2.gz PEGXQUWVBNDDGF-QZTJIDSGSA-N 2 0 325.497 1.188 20 0 EDADRP COC[C@](C)(CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894392665 591300007 /nfs/dbraw/zinc/30/00/07/591300007.db2.gz DAYGSXBKCUVIRH-HNNXBMFYSA-N 2 0 346.374 1.557 20 0 EDADRP COc1ccc(C[C@H](CO)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1O ZINC000894472408 591319531 /nfs/dbraw/zinc/31/95/31/591319531.db2.gz LNJVPBHHSQRNMM-XYTVBORESA-N 2 0 334.460 1.767 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)CC1 ZINC000896004863 591321493 /nfs/dbraw/zinc/32/14/93/591321493.db2.gz QZYLVHDQCLLKIT-KRWDZBQOSA-N 2 0 336.524 1.534 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N2CCC(n3ccnc3)CC2)n[nH]1 ZINC000896008880 591322211 /nfs/dbraw/zinc/32/22/11/591322211.db2.gz HKPXEPISFGPBJR-MRXNPFEDSA-N 2 0 328.420 1.850 20 0 EDADRP C[N@H+](Cc1ccc2oc(=O)oc2c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000894770591 591411205 /nfs/dbraw/zinc/41/12/05/591411205.db2.gz RSEUAGQFHMVCRZ-INIZCTEOSA-N 2 0 345.443 1.986 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000897455831 591461900 /nfs/dbraw/zinc/46/19/00/591461900.db2.gz WEHNQNPRYJRUKZ-HNNXBMFYSA-N 2 0 347.463 1.264 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000897466112 591466668 /nfs/dbraw/zinc/46/66/68/591466668.db2.gz OCVAPRKYEMBJAR-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[NH+]2CCO ZINC000894905208 591468126 /nfs/dbraw/zinc/46/81/26/591468126.db2.gz BYCGIMPVBNSAMM-GVDBMIGSSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@@H+]2CCC[C@@H]2C)C1 ZINC000897482567 591488520 /nfs/dbraw/zinc/48/85/20/591488520.db2.gz BNKPNOQZVIKPEJ-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000897497866 591500677 /nfs/dbraw/zinc/50/06/77/591500677.db2.gz DCYMLZXUWYVMGS-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC000897518870 591520061 /nfs/dbraw/zinc/52/00/61/591520061.db2.gz MYIKUIARMJGVEC-HOTGVXAUSA-N 2 0 331.464 1.786 20 0 EDADRP CN1CCC[C@@H]1c1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)[nH]n1 ZINC000898826830 591549593 /nfs/dbraw/zinc/54/95/93/591549593.db2.gz RXFDEXRLJZHZIB-BZUAXINKSA-N 2 0 331.464 1.779 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H]2CCCN2CC(F)(F)F)CC1 ZINC000896839073 591627976 /nfs/dbraw/zinc/62/79/76/591627976.db2.gz IZRCNBCLZQTEIH-CQSZACIVSA-N 2 0 337.430 1.838 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@H]2C[C@@H](CO)C2)c2c1OC(F)(F)O2 ZINC000895419883 591755153 /nfs/dbraw/zinc/75/51/53/591755153.db2.gz ZTCPGRFQUZSDSD-GSJFWJNXSA-N 2 0 328.359 1.930 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)[NH+](C)C)cc1 ZINC000895460994 591765783 /nfs/dbraw/zinc/76/57/83/591765783.db2.gz JIYNJMGYGMLLCK-OALUTQOASA-N 2 0 345.487 1.689 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1nc(C(C)(C)C)co1 ZINC000898247840 591835646 /nfs/dbraw/zinc/83/56/46/591835646.db2.gz PEPCWFJZEGGOQY-UHFFFAOYSA-N 2 0 339.484 1.607 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000900189295 591934487 /nfs/dbraw/zinc/93/44/87/591934487.db2.gz XTZBGMWEMHIQOP-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900209148 591943506 /nfs/dbraw/zinc/94/35/06/591943506.db2.gz QBFLESYQIHIBLU-AOCRQIFASA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[C@]12C[C@H]1C(=O)N(C[N@@H+]1CC[C@H](C3CC[NH+](C)CC3)C1)C2=O ZINC000902200521 591943690 /nfs/dbraw/zinc/94/36/90/591943690.db2.gz FHLZNWAPBGOAEO-TXPKVOOTSA-N 2 0 333.476 1.639 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C[C@H]([C@@H]4CCCO4)CC3=O)C2)CC1 ZINC000902201300 591944539 /nfs/dbraw/zinc/94/45/39/591944539.db2.gz LUNDUULRTCKBIW-KURKYZTESA-N 2 0 335.492 1.635 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)C1 ZINC000902345679 591977106 /nfs/dbraw/zinc/97/71/06/591977106.db2.gz DPSOWIGAYBTWTR-CQSZACIVSA-N 2 0 329.510 1.311 20 0 EDADRP COc1cn(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)c(C)cc1=O ZINC000902370569 591981410 /nfs/dbraw/zinc/98/14/10/591981410.db2.gz LHHMLPYHVSPJTN-OAHLLOKOSA-N 2 0 328.416 1.729 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CN[C@@H](CCCC[NH3+])c2ccc(F)cc2F)C1 ZINC000902374931 591982568 /nfs/dbraw/zinc/98/25/68/591982568.db2.gz SEIKVPVOPQLJEG-DLBZAZTESA-N 2 0 327.419 1.791 20 0 EDADRP CNc1cc(N2CCC[C@H]2C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ncn1 ZINC000902358165 591986105 /nfs/dbraw/zinc/98/61/05/591986105.db2.gz BLIFBPURCHOGKV-CABCVRRESA-N 2 0 332.496 1.855 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000900405849 592009593 /nfs/dbraw/zinc/00/95/93/592009593.db2.gz KTDZTHHSEOWXGE-SFHVURJKSA-N 2 0 338.540 1.639 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1cn(C)nn1 ZINC000902741073 592055134 /nfs/dbraw/zinc/05/51/34/592055134.db2.gz KPGJNMYFZGDJDD-VQIMIIECSA-N 2 0 342.491 1.845 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC000900692891 592096997 /nfs/dbraw/zinc/09/69/97/592096997.db2.gz KZEDZLSSOJKIMV-ZWKOTPCHSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)CC[N@@H+]1C ZINC000903189227 592136185 /nfs/dbraw/zinc/13/61/85/592136185.db2.gz SXXDQNJOGYCXKT-UONOGXRCSA-N 2 0 331.526 1.699 20 0 EDADRP C[C@H](NC(=O)C1CCC([NH+]2CCOCC2)CC1)C(C)(C)C[NH+](C)C ZINC000900832829 592140460 /nfs/dbraw/zinc/14/04/60/592140460.db2.gz PCXUAXOZYYMOGI-GTPINHCMSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903458517 592171249 /nfs/dbraw/zinc/17/12/49/592171249.db2.gz BWNCXEBAXKRTQN-IPYPFGDCSA-N 2 0 325.478 1.443 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1cn3cc(C)ccc3n1)C2 ZINC000903492455 592185062 /nfs/dbraw/zinc/18/50/62/592185062.db2.gz DYOCOFAPEVFLDB-IYOUNJFTSA-N 2 0 328.416 1.355 20 0 EDADRP C[C@@H]1C[N@H+](CCCCN2C(=O)c3ccccc3C2=O)C[C@H]1CC[NH3+] ZINC000903494482 592186660 /nfs/dbraw/zinc/18/66/60/592186660.db2.gz GBRDHLNRPHIXPM-HUUCEWRRSA-N 2 0 329.444 1.980 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCc2c(F)cccc2F)C[C@H]1CC[NH3+] ZINC000903496974 592188166 /nfs/dbraw/zinc/18/81/66/592188166.db2.gz LOICNHWLGAGCHJ-CHWSQXEVSA-N 2 0 325.403 1.540 20 0 EDADRP CCCN(CCC)C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511734 592191283 /nfs/dbraw/zinc/19/12/83/592191283.db2.gz XLIFQDPPUIWUKB-HDICACEKSA-N 2 0 336.524 1.536 20 0 EDADRP CN(CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)c1ccccc1 ZINC000903525861 592198422 /nfs/dbraw/zinc/19/84/22/592198422.db2.gz SYPOCPHOMALWOI-MJGOQNOKSA-N 2 0 330.476 1.359 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H](c2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000903565000 592212328 /nfs/dbraw/zinc/21/23/28/592212328.db2.gz BTIZVUSMDCXHAB-AWEZNQCLSA-N 2 0 348.516 1.633 20 0 EDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000904383761 592247597 /nfs/dbraw/zinc/24/75/97/592247597.db2.gz DKFNRQNRYNQRIX-INIZCTEOSA-N 2 0 338.540 1.946 20 0 EDADRP CCOc1c(Cl)cc(CN2CC[NH2+]CC[NH2+]CC2)cc1OC ZINC000904397870 592253057 /nfs/dbraw/zinc/25/30/57/592253057.db2.gz JFCLNDBRLNVEGV-UHFFFAOYSA-N 2 0 327.856 1.742 20 0 EDADRP COC(=O)CCC1([NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)CCCCC1 ZINC000904434883 592255623 /nfs/dbraw/zinc/25/56/23/592255623.db2.gz ZZWDDAOONGKTLX-HNNXBMFYSA-N 2 0 349.479 1.948 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906661435 592270655 /nfs/dbraw/zinc/27/06/55/592270655.db2.gz PLJRDVVVNSAIEW-UHFFFAOYSA-N 2 0 332.448 1.373 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C[C@]2(C)C1 ZINC000904511509 592274665 /nfs/dbraw/zinc/27/46/65/592274665.db2.gz RHALPXFFJBSSSM-GLJUWKHASA-N 2 0 329.448 1.313 20 0 EDADRP CC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)C[C@@H]1COc2ccccc2O1 ZINC000903717440 592280738 /nfs/dbraw/zinc/28/07/38/592280738.db2.gz AKJSZTOCAVAART-FRQCXROJSA-N 2 0 332.444 1.917 20 0 EDADRP CCCCNC(=O)[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903727770 592286242 /nfs/dbraw/zinc/28/62/42/592286242.db2.gz XEJAHVIEBAGXOI-IAGOWNOFSA-N 2 0 337.508 1.773 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2C[C@]3(CC[NH2+]C3)CO2)cc1 ZINC000903747064 592293628 /nfs/dbraw/zinc/29/36/28/592293628.db2.gz OVHUFQILMKIRQJ-AABGKKOBSA-N 2 0 329.488 1.964 20 0 EDADRP CCCCNC(=O)C1([NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CCCCC1 ZINC000903734245 592297823 /nfs/dbraw/zinc/29/78/23/592297823.db2.gz WLTOHYUZBYGMCG-SJLPKXTDSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccccc2C[NH3+])C[C@H]1C[NH+](C)C ZINC000904627151 592298626 /nfs/dbraw/zinc/29/86/26/592298626.db2.gz WMWUJCOYXLMESN-HZPDHXFCSA-N 3 0 333.480 1.348 20 0 EDADRP c1cc2c(c(-c3nc([C@@H]4C[N@@H+]5CCC[C@@H]5CO4)no3)c1)OCC[NH2+]C2 ZINC000904638182 592301034 /nfs/dbraw/zinc/30/10/34/592301034.db2.gz NLPOYNMGWVNJFE-HIFRSBDPSA-N 2 0 342.399 1.754 20 0 EDADRP [NH3+][C@@H]1CCCn2nc(-c3nc([C@@H]4CN5CCCC[C@@H]5CO4)no3)cc21 ZINC000904644260 592301265 /nfs/dbraw/zinc/30/12/65/592301265.db2.gz OIXYODVBNKISHN-JMSVASOKSA-N 2 0 344.419 1.653 20 0 EDADRP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[NH+](C)C ZINC000901243199 592301811 /nfs/dbraw/zinc/30/18/11/592301811.db2.gz XWTZAHZZVQIBBQ-SQNIBIBYSA-N 2 0 333.476 1.326 20 0 EDADRP O=C1N[C@@H]2C[N@H+](Cc3ccccc3CF)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000903760676 592306463 /nfs/dbraw/zinc/30/64/63/592306463.db2.gz JKRPDZKHAOUOOV-QZTJIDSGSA-N 2 0 346.450 1.876 20 0 EDADRP [NH3+][C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1cccc(F)c1 ZINC000903761434 592307397 /nfs/dbraw/zinc/30/73/97/592307397.db2.gz SNHSCXSXRRWNJO-OKZBNKHCSA-N 2 0 333.451 1.711 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@@H]4CCC[C@H]([NH3+])C4)n3)c2)CC1 ZINC000904672623 592309578 /nfs/dbraw/zinc/30/95/78/592309578.db2.gz OXLXASOTHGTRPN-KGLIPLIRSA-N 2 0 342.447 1.868 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCN2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000903794089 592317172 /nfs/dbraw/zinc/31/71/72/592317172.db2.gz ZZXVTFHZISTVLS-KDURUIRLSA-N 2 0 329.488 1.842 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1cncn1C)C(=O)C12CC[NH+](CC1)C2 ZINC000908105615 592322639 /nfs/dbraw/zinc/32/26/39/592322639.db2.gz HCVFQOOMXBJVAE-DOTOQJQBSA-N 2 0 345.491 1.357 20 0 EDADRP CC(C)(C[NH3+])C1CC[NH+](CC(=O)NCCOc2ccccc2)CC1 ZINC000903788879 592323009 /nfs/dbraw/zinc/32/30/09/592323009.db2.gz IJEBEYHPMBVCGY-UHFFFAOYSA-N 2 0 333.476 1.879 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000901336109 592333549 /nfs/dbraw/zinc/33/35/49/592333549.db2.gz IBLAAJLEJAMYFC-LPHOPBHVSA-N 2 0 333.476 1.470 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000903899536 592370330 /nfs/dbraw/zinc/37/03/30/592370330.db2.gz TTZOUMIZIFAUJB-KRWDZBQOSA-N 2 0 341.459 1.998 20 0 EDADRP CN1CCO[C@H](C[N@@H+](Cc2cccc3c2CC[NH2+]C3)CC2CC2)C1 ZINC000903912288 592374813 /nfs/dbraw/zinc/37/48/13/592374813.db2.gz CRASHCBIUMMVOF-IBGZPJMESA-N 2 0 329.488 1.875 20 0 EDADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)c2ccccc2C[NH2+]1 ZINC000903918988 592376970 /nfs/dbraw/zinc/37/69/70/592376970.db2.gz KAJOUEOWOACMEF-ZBFHGGJFSA-N 2 0 326.448 1.701 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@H](C)[NH2+]Cc3ccccc32)cnn1C ZINC000903919641 592377595 /nfs/dbraw/zinc/37/75/95/592377595.db2.gz PCUOTUHPWBYMJP-HOCLYGCPSA-N 2 0 327.476 1.844 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+]C[C@H](O)CC3(O)CCCC3)CC2)CC1 ZINC000905078657 592388450 /nfs/dbraw/zinc/38/84/50/592388450.db2.gz AXEHEEKLXFAGEY-GOSISDBHSA-N 2 0 339.524 1.191 20 0 EDADRP Cc1nc(CC2CC[NH+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)CC2)no1 ZINC000903988053 592406093 /nfs/dbraw/zinc/40/60/93/592406093.db2.gz MZVGVPJDKHFEJX-MRXNPFEDSA-N 2 0 346.479 1.492 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(c3cccc4[nH]c(=O)[nH]c43)CC2)CC[NH2+]1 ZINC000903988592 592407128 /nfs/dbraw/zinc/40/71/28/592407128.db2.gz SZDJQPLSCKJQCY-KBPBESRZSA-N 2 0 329.448 1.779 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000905111215 592412031 /nfs/dbraw/zinc/41/20/31/592412031.db2.gz URMYWEPQUWTTPF-SXLOBPIMSA-N 2 0 347.503 1.229 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC000908317156 592430560 /nfs/dbraw/zinc/43/05/60/592430560.db2.gz WKMVMZCVHAYIEZ-MRXNPFEDSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2NC(=O)NCC2([NH3+])CC2)C[C@H](C)O1 ZINC000904295941 592470562 /nfs/dbraw/zinc/47/05/62/592470562.db2.gz MHFOKWMVHXKNGF-OKILXGFUSA-N 2 0 332.448 1.909 20 0 EDADRP C[C@@](O)(C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C(F)F ZINC000905365721 592516118 /nfs/dbraw/zinc/51/61/18/592516118.db2.gz DWTTZTXCHNMWJV-DOTOQJQBSA-N 2 0 328.403 1.749 20 0 EDADRP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905367172 592517228 /nfs/dbraw/zinc/51/72/28/592517228.db2.gz JFROFQKNAAZTOI-RTBURBONSA-N 2 0 348.487 1.399 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)C2)[C@H]1C(C)C ZINC000905503738 592546707 /nfs/dbraw/zinc/54/67/07/592546707.db2.gz UEJWLPJMRAJHEJ-ZSAUSMIDSA-N 2 0 338.414 1.759 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=S)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000905650240 592596729 /nfs/dbraw/zinc/59/67/29/592596729.db2.gz FIQIDHZEDIXNIE-KRWDZBQOSA-N 2 0 332.517 1.819 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669420 592607073 /nfs/dbraw/zinc/60/70/73/592607073.db2.gz XNZMTJFAIGPFGN-BBWFWOEESA-N 2 0 325.497 1.724 20 0 EDADRP CN(C(=O)C1CN(C)CC[N@H+](C)C1)C(C)(C)C[NH+]1CCCCCC1 ZINC000907526430 592688305 /nfs/dbraw/zinc/68/83/05/592688305.db2.gz PDKHQZVZUDHNML-UHFFFAOYSA-N 2 0 338.540 1.593 20 0 EDADRP CC(C)C[N@@H+](Cc1cn(Cc2ncon2)nn1)CC1CC[NH+](C)CC1 ZINC000906323916 592796026 /nfs/dbraw/zinc/79/60/26/592796026.db2.gz FLHRESMSBXHKQE-UHFFFAOYSA-N 2 0 347.467 1.509 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)C1 ZINC000906384512 592814593 /nfs/dbraw/zinc/81/45/93/592814593.db2.gz JQNIZVKIZPLVIN-INIZCTEOSA-N 2 0 345.491 1.894 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000906610676 592863785 /nfs/dbraw/zinc/86/37/85/592863785.db2.gz HABMLGMQCGDJBF-UHFFFAOYSA-N 2 0 348.491 1.449 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000910859942 592897512 /nfs/dbraw/zinc/89/75/12/592897512.db2.gz GZTOZWOYEMUPCT-CALCHBBNSA-N 2 0 339.524 1.801 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)CC(C)(C)[NH2+]1 ZINC000911247252 592967392 /nfs/dbraw/zinc/96/73/92/592967392.db2.gz OKOIPXSBFJFDSK-ZDUSSCGKSA-N 2 0 338.496 1.060 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC000911665856 592973609 /nfs/dbraw/zinc/97/36/09/592973609.db2.gz UTAKIQXTQCAORO-KNBMTAEXSA-N 2 0 339.439 1.870 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000911706108 592991501 /nfs/dbraw/zinc/99/15/01/592991501.db2.gz CYZIFUWNRZNSOU-PYUISTEWSA-N 2 0 331.460 1.756 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000911736281 592992757 /nfs/dbraw/zinc/99/27/57/592992757.db2.gz KGGUZVZICYUYIF-VGMNTSGFSA-N 2 0 331.460 1.851 20 0 EDADRP C[NH2+]C1CC(C(=O)Nc2ccccc2C(=O)OC[C@@H]2CCC[NH2+]2)C1 ZINC000911750536 592997083 /nfs/dbraw/zinc/99/70/83/592997083.db2.gz DBHVHPUPBQQOMO-MOKVOYLWSA-N 2 0 331.416 1.532 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@H]2CCCC[N@@H+]2C)c1 ZINC000911928551 593034756 /nfs/dbraw/zinc/03/47/56/593034756.db2.gz CAGRYNJCXIGFMW-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000912284741 593082637 /nfs/dbraw/zinc/08/26/37/593082637.db2.gz SLYRJVPRUYRRSP-QGZVFWFLSA-N 2 0 338.540 1.782 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000912586048 593106392 /nfs/dbraw/zinc/10/63/92/593106392.db2.gz JHQABLVRXVJAOQ-HNNXBMFYSA-N 2 0 325.497 1.458 20 0 EDADRP CN(C(=O)Nc1cnn(CC[NH+](C)C)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000806319479 593438705 /nfs/dbraw/zinc/43/87/05/593438705.db2.gz NYJANMOWIVDKHW-XYPWUTKMSA-N 2 0 334.468 1.534 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000811743429 593477888 /nfs/dbraw/zinc/47/78/88/593477888.db2.gz RGDYACAQOIZIAQ-SJORKVTESA-N 2 0 335.492 1.778 20 0 EDADRP Cn1c2ccc(C[NH2+][C@H]3CCN(C4CC[NH+](C)CC4)C3)cc2oc1=O ZINC000816549347 593531047 /nfs/dbraw/zinc/53/10/47/593531047.db2.gz LINXXXZKMPQDFW-HNNXBMFYSA-N 2 0 344.459 1.390 20 0 EDADRP C[C@H](CNC(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)C[NH+](C)C ZINC000816833201 593552546 /nfs/dbraw/zinc/55/25/46/593552546.db2.gz ARAGLALTKMRDFJ-JXMNSVBMSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCC[NH2+]1 ZINC000817890901 593645784 /nfs/dbraw/zinc/64/57/84/593645784.db2.gz BFZJTPKYLHWOHA-ZYHUDNBSSA-N 2 0 343.415 1.278 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(CCS(C)(=O)=O)CC1 ZINC000817905477 593647344 /nfs/dbraw/zinc/64/73/44/593647344.db2.gz NXWQXIZAFJBOEB-NVXWUHKLSA-N 2 0 345.553 1.396 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000819034963 593734901 /nfs/dbraw/zinc/73/49/01/593734901.db2.gz SUGORGYGOWRXRO-WBMJQRKESA-N 2 0 329.847 1.738 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H](O)C3CC3)c2)C1 ZINC000819040602 593735028 /nfs/dbraw/zinc/73/50/28/593735028.db2.gz ODUOCFUOFCULOE-MSOLQXFVSA-N 2 0 331.460 1.244 20 0 EDADRP O=C(C[NH+]1CCCC1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000820444484 593819371 /nfs/dbraw/zinc/81/93/71/593819371.db2.gz CQNOJEIWTMZJMA-UHFFFAOYSA-N 2 0 331.460 1.355 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCN(S(C)(=O)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820829853 593899374 /nfs/dbraw/zinc/89/93/74/593899374.db2.gz NBNSWIUEMVWESQ-HOCLYGCPSA-N 2 0 339.505 1.680 20 0 EDADRP CS(=O)(=O)N1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000820830658 593900214 /nfs/dbraw/zinc/90/02/14/593900214.db2.gz XWMPZODAKATRNR-WYQXTGKHSA-N 2 0 327.494 1.015 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821253735 593998068 /nfs/dbraw/zinc/99/80/68/593998068.db2.gz HZILVQHTUDLUIL-PBHICJAKSA-N 2 0 344.463 1.908 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC000826668873 594550449 /nfs/dbraw/zinc/55/04/49/594550449.db2.gz XJUVJMJNZOHSFV-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP [NH3+]CCCCCCNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000831132988 594565072 /nfs/dbraw/zinc/56/50/72/594565072.db2.gz PHZORMIERVKCCN-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP CCO[C@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[NH+](C)C ZINC000831718680 594695815 /nfs/dbraw/zinc/69/58/15/594695815.db2.gz NIKHINGFGRPPSK-QZTJIDSGSA-N 2 0 333.476 1.591 20 0 EDADRP CCO[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C[NH+](C)C ZINC000831745586 594698700 /nfs/dbraw/zinc/69/87/00/594698700.db2.gz TVBOTESRDIOWEK-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(NCCN1CCc2c(Cl)cccc2C1)[C@]1(F)CC[NH2+]C1 ZINC000832158302 594730916 /nfs/dbraw/zinc/73/09/16/594730916.db2.gz JTAMIFFQMRLHTC-INIZCTEOSA-N 2 0 325.815 1.516 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=S)N1CCO[C@@H]2CC[NH+](CC)C[C@@H]21 ZINC000840755161 594815061 /nfs/dbraw/zinc/81/50/61/594815061.db2.gz QKQOYVDRXRQQHS-OWCLPIDISA-N 2 0 340.537 1.140 20 0 EDADRP C[NH+](C)CCNC(=O)Nc1ccc(C(=O)OC[C@@H]2CCC[NH2+]2)cc1 ZINC000841270833 594879010 /nfs/dbraw/zinc/87/90/10/594879010.db2.gz CMDUMDXXBTXBNF-HNNXBMFYSA-N 2 0 334.420 1.279 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000841288760 594881796 /nfs/dbraw/zinc/88/17/96/594881796.db2.gz UFNWFKSESWKCPL-HNNXBMFYSA-N 2 0 332.448 1.974 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000841327207 594885292 /nfs/dbraw/zinc/88/52/92/594885292.db2.gz FBDWZYXCRFTKPG-HZPDHXFCSA-N 2 0 346.431 1.153 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)NC1CC[NH+](C2CCC2)CC1 ZINC000836283753 594946914 /nfs/dbraw/zinc/94/69/14/594946914.db2.gz NHTKQYXZMHAVEF-IAGOWNOFSA-N 2 0 336.480 1.166 20 0 EDADRP [NH3+][C@H](CC(=O)Nc1cccc(C(=O)OC[C@H]2CCC[NH2+]2)c1)C1CC1 ZINC000841845961 594963956 /nfs/dbraw/zinc/96/39/56/594963956.db2.gz CNWBUZWGTRWLGE-HZPDHXFCSA-N 2 0 331.416 1.661 20 0 EDADRP C[C@@]1(CNC(=O)N2CC[C@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000841896452 594976307 /nfs/dbraw/zinc/97/63/07/594976307.db2.gz MJOYCHKRIBMHKB-MJGOQNOKSA-N 2 0 330.476 1.889 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCc2ccc(CC[NH3+])cc2)CC1 ZINC000841926114 594982987 /nfs/dbraw/zinc/98/29/87/594982987.db2.gz BRNPELPGYONLCG-UHFFFAOYSA-N 2 0 348.491 1.440 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000843261242 595056497 /nfs/dbraw/zinc/05/64/97/595056497.db2.gz GVKNDJKDGPOXBF-MRXNPFEDSA-N 2 0 338.496 1.099 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCCCCCC[NH3+])C1 ZINC000843263555 595057653 /nfs/dbraw/zinc/05/76/53/595057653.db2.gz YEAKREMPLSURLR-OAHLLOKOSA-N 2 0 340.512 1.248 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)CC1 ZINC000843335169 595078734 /nfs/dbraw/zinc/07/87/34/595078734.db2.gz MJWDOTNBRYEKJD-CYBMUJFWSA-N 2 0 331.416 1.663 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843355402 595085219 /nfs/dbraw/zinc/08/52/19/595085219.db2.gz NDXRNZFYMWPWJN-OTBWCIGPSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000843378355 595094202 /nfs/dbraw/zinc/09/42/02/595094202.db2.gz RLUGKGDVZGOHPH-NWDGAFQWSA-N 2 0 331.420 1.656 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]C2CC(CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000845937488 595100449 /nfs/dbraw/zinc/10/04/49/595100449.db2.gz BLYWHGMSCFNSKD-UHFFFAOYSA-N 2 0 341.496 1.726 20 0 EDADRP CON(C)C(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000843095155 595286560 /nfs/dbraw/zinc/28/65/60/595286560.db2.gz NCTBBRGMPGQOEH-KRWDZBQOSA-N 2 0 335.448 1.143 20 0 EDADRP C[NH+](C)Cc1ccc(NC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1F ZINC000844188085 595297136 /nfs/dbraw/zinc/29/71/36/595297136.db2.gz OBOUUERWDCNCKV-AWEZNQCLSA-N 2 0 346.410 1.656 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(Cl)cc1 ZINC000844189955 595297997 /nfs/dbraw/zinc/29/79/97/595297997.db2.gz YCTMFIAOAANEAY-JKSUJKDBSA-N 2 0 339.867 1.828 20 0 EDADRP CN(C)c1ccc(N2CCC(NC(=O)[C@]3(C)CCC[NH2+]3)CC2)cc1 ZINC000844191512 595298002 /nfs/dbraw/zinc/29/80/02/595298002.db2.gz DMISEULIPRRSJS-IBGZPJMESA-N 2 0 330.476 1.980 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000848024185 595305974 /nfs/dbraw/zinc/30/59/74/595305974.db2.gz FPJPBMNQVPTOCX-YOEHRIQHSA-N 2 0 331.476 1.408 20 0 EDADRP CCN1C[C@@H](C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)OC1=O ZINC000846857952 595328065 /nfs/dbraw/zinc/32/80/65/595328065.db2.gz AZPREWCDCTXRBZ-MRXNPFEDSA-N 2 0 338.496 1.177 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)CC1 ZINC000848416048 595375722 /nfs/dbraw/zinc/37/57/22/595375722.db2.gz XFRIJKIOFNQLQZ-BEFAXECRSA-N 2 0 328.460 1.767 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000847311825 595393955 /nfs/dbraw/zinc/39/39/55/595393955.db2.gz ISTXIUAWCJMKHR-CVEARBPZSA-N 2 0 338.496 1.365 20 0 EDADRP COc1cccc(NC(=[NH2+])NCCCC[NH+]2CCC(C(N)=O)CC2)c1 ZINC000849059926 595476529 /nfs/dbraw/zinc/47/65/29/595476529.db2.gz XEDJJTMPZJWKGZ-UHFFFAOYSA-N 2 0 347.463 1.609 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])Nc2cc(F)ccc2F)C1 ZINC000849081461 595479563 /nfs/dbraw/zinc/47/95/63/595479563.db2.gz ABEIVKHIHGIWEY-LLVKDONJSA-N 2 0 339.390 1.488 20 0 EDADRP C[C@H]1OCC[C@@]1(O)CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849105025 595482655 /nfs/dbraw/zinc/48/26/55/595482655.db2.gz MTBOMFPBNDOZTF-DNVCBOLYSA-N 2 0 346.475 1.305 20 0 EDADRP O=C1[C@@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1C1CCOCC1 ZINC000852753448 595526895 /nfs/dbraw/zinc/52/68/95/595526895.db2.gz BEDGVIPMLKRUIC-WMZOPIPTSA-N 2 0 335.492 1.478 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000852796045 595547309 /nfs/dbraw/zinc/54/73/09/595547309.db2.gz LXCWRVNLDGMINU-HNNXBMFYSA-N 2 0 343.427 1.844 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NC[C@@H]3C[N@@H+]4CCC[C@H]4CO3)cc21 ZINC000852797743 595548071 /nfs/dbraw/zinc/54/80/71/595548071.db2.gz AKIDEEHYAOTLCZ-OKZBNKHCSA-N 2 0 343.471 1.658 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849527057 595558157 /nfs/dbraw/zinc/55/81/57/595558157.db2.gz UFUGDBPOCCCGEG-IRXDYDNUSA-N 2 0 333.480 1.010 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@H]2CC[NH+](CC3CC3)C2)cn1 ZINC000849525122 595558476 /nfs/dbraw/zinc/55/84/76/595558476.db2.gz LTUKCYFCBCRHOW-BZSNNMDCSA-N 2 0 345.491 1.056 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000849555899 595566336 /nfs/dbraw/zinc/56/63/36/595566336.db2.gz ZOFHZNSUEBNGEF-XMTFNYHQSA-N 2 0 345.491 1.151 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849559213 595567732 /nfs/dbraw/zinc/56/77/32/595567732.db2.gz SLIBSRKVIFJUGY-IAGOWNOFSA-N 2 0 335.496 1.304 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cc2c(s1)CC[NH2+]C2 ZINC000852874853 595592580 /nfs/dbraw/zinc/59/25/80/595592580.db2.gz DDYWLEFTQGWZPK-UHFFFAOYSA-N 2 0 331.445 1.767 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)=NO1 ZINC000852895484 595603427 /nfs/dbraw/zinc/60/34/27/595603427.db2.gz CPPOOISFQNALNS-CQSZACIVSA-N 2 0 348.472 1.917 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857858199 595634149 /nfs/dbraw/zinc/63/41/49/595634149.db2.gz ISQNIDVVMPPAEJ-QGZVFWFLSA-N 2 0 341.459 1.868 20 0 EDADRP [NH3+]CC1(C[NH+]2CCC(c3nccc(N4CCOCC4)n3)CC2)CC1 ZINC000853250009 595720169 /nfs/dbraw/zinc/72/01/69/595720169.db2.gz XVJBPVOYCJCAFC-UHFFFAOYSA-N 2 0 331.464 1.232 20 0 EDADRP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)CC1(C)C ZINC000858178594 595721926 /nfs/dbraw/zinc/72/19/26/595721926.db2.gz YVOQDKPHYUKEHK-CABCVRRESA-N 2 0 326.481 1.865 20 0 EDADRP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1(NC(=O)OC(C)(C)C)CCOCC1 ZINC000858248414 595742785 /nfs/dbraw/zinc/74/27/85/595742785.db2.gz SPOCUSOMYCNSTR-KBPBESRZSA-N 2 0 327.469 1.600 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CCC([NH+]3CCCCC3)CC2)CC[C@H]1F ZINC000851657882 595871146 /nfs/dbraw/zinc/87/11/46/595871146.db2.gz PRHVRJWBMVEBOO-QDIHITRGSA-N 2 0 326.460 1.864 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)N[C@H]1C[NH2+]CCC1(F)F ZINC000851666774 595875869 /nfs/dbraw/zinc/87/58/69/595875869.db2.gz IUJVUEVSTHZXMG-JSGCOSHPSA-N 2 0 330.423 1.690 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853824172 595892657 /nfs/dbraw/zinc/89/26/57/595892657.db2.gz XFEBEVUYVAOGTI-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(=O)NC)C2)ccn1 ZINC000856584264 596020299 /nfs/dbraw/zinc/02/02/99/596020299.db2.gz GIDIJRYQFWOMNG-KRWDZBQOSA-N 2 0 334.464 1.513 20 0 EDADRP C[Si](C)(CC[NH+]1C[C@@H]2C[C@]2(CO)C1)CC[N@@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000859270992 596025149 /nfs/dbraw/zinc/02/51/49/596025149.db2.gz ZRPMHVITILNESU-WNRNVDISSA-N 2 0 338.568 1.323 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C(C)C ZINC000852064842 596030358 /nfs/dbraw/zinc/03/03/58/596030358.db2.gz RXAHTIHSKOJIBK-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP CCC[N@H+](C)CC(=O)N1CC[C@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856635427 596041608 /nfs/dbraw/zinc/04/16/08/596041608.db2.gz RZGGTOVQCVVVAZ-SFHVURJKSA-N 2 0 348.491 1.855 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)C[NH2+]1 ZINC000861685560 596068102 /nfs/dbraw/zinc/06/81/02/596068102.db2.gz PMKLCJOPFLHFHP-WMZOPIPTSA-N 2 0 332.492 1.943 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCOC[C@@H]1[C@H]1CCC[NH+]1C ZINC000854642671 596145815 /nfs/dbraw/zinc/14/58/15/596145815.db2.gz QYAWXFLJGHJGIW-IAGOWNOFSA-N 2 0 325.497 1.820 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000854724784 596176097 /nfs/dbraw/zinc/17/60/97/596176097.db2.gz UUSYTVNHSDIBNI-YFHOEESVSA-N 2 0 331.460 1.660 20 0 EDADRP CSc1ccccc1C[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866711251 596305036 /nfs/dbraw/zinc/30/50/36/596305036.db2.gz GIBSQPVKZKVCGG-KFWWJZLASA-N 2 0 333.457 1.775 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](Cc2ccc(C(F)F)cc2)C1 ZINC000866714768 596306732 /nfs/dbraw/zinc/30/67/32/596306732.db2.gz WZBVZIBPLLZQEV-ZNMIVQPWSA-N 2 0 337.370 1.991 20 0 EDADRP Cc1ccccc1CCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714480 596306957 /nfs/dbraw/zinc/30/69/57/596306957.db2.gz PSPOWQJGZDBAHU-KURKYZTESA-N 2 0 329.444 1.795 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870871042 596384856 /nfs/dbraw/zinc/38/48/56/596384856.db2.gz GUDFHGUTRQLOQP-ZWNOBZJWSA-N 2 0 326.238 1.517 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935045 596411336 /nfs/dbraw/zinc/41/13/36/596411336.db2.gz TYQZZRSEDNUKQL-STQMWFEESA-N 2 0 326.238 1.659 20 0 EDADRP C[C@H](CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1)[NH+](C)C ZINC000870953122 596417234 /nfs/dbraw/zinc/41/72/34/596417234.db2.gz LAIFOLXXIASANJ-ZWNOBZJWSA-N 2 0 328.254 1.905 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)Cc1cc(=O)oc2cc(NC(C)=O)ccc12 ZINC000863554298 596616910 /nfs/dbraw/zinc/61/69/10/596616910.db2.gz VXTARGVTHGRCAM-UHFFFAOYSA-N 2 0 347.415 1.419 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000867968412 596638372 /nfs/dbraw/zinc/63/83/72/596638372.db2.gz CNEFZZFVQKJYMF-ICCXJUOJSA-N 2 0 326.238 1.563 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N2CCC([NH+]3CCN(C)CC3)CC2)c1 ZINC000868163522 596706720 /nfs/dbraw/zinc/70/67/20/596706720.db2.gz LXXWCPVCGKXRIP-UHFFFAOYSA-N 2 0 345.491 1.650 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)CC[C@H]21 ZINC000868168634 596708833 /nfs/dbraw/zinc/70/88/33/596708833.db2.gz YVDWNAQNXOUHSL-HACGYAERSA-N 2 0 329.448 1.456 20 0 EDADRP C/C(=C\c1ccncc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018222 596710116 /nfs/dbraw/zinc/71/01/16/596710116.db2.gz XPSXDCAGGNXQMM-MGJGCBFKSA-N 2 0 330.476 1.683 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2CCC(=O)c3cccn32)C[C@H]1C[NH+](C)C ZINC000870019542 596710775 /nfs/dbraw/zinc/71/07/75/596710775.db2.gz ZYIVNNIWGVDOGX-BFYDXBDKSA-N 2 0 346.475 1.204 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccnc(Cl)c2F)C[C@H]1C[NH+](C)C ZINC000870020730 596711978 /nfs/dbraw/zinc/71/19/78/596711978.db2.gz TVUKHHVNKSBJSI-VXGBXAGGSA-N 2 0 342.846 1.686 20 0 EDADRP CC[C@H](C)n1nc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1C ZINC000870022514 596712557 /nfs/dbraw/zinc/71/25/57/596712557.db2.gz URJRYFDCHXHFHJ-USXIJHARSA-N 2 0 349.523 1.974 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cnn3ccccc23)C[C@H]1C[NH+](C)C ZINC000870021764 596712623 /nfs/dbraw/zinc/71/26/23/596712623.db2.gz KGZMGHCCJUNBJL-HUUCEWRRSA-N 2 0 329.448 1.146 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)cn2)CC1 ZINC000868190331 596716681 /nfs/dbraw/zinc/71/66/81/596716681.db2.gz JXWZSIXSMVUNOQ-SFHVURJKSA-N 2 0 346.479 1.757 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[N@H+](C)C1CC1 ZINC000868228567 596735996 /nfs/dbraw/zinc/73/59/96/596735996.db2.gz GDAOJQORWYTQOA-KNXALSJPSA-N 2 0 330.432 1.039 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000868298018 596773610 /nfs/dbraw/zinc/77/36/10/596773610.db2.gz OASITQNILMWPES-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000868309866 596783334 /nfs/dbraw/zinc/78/33/34/596783334.db2.gz NQASKVHUEWUMEJ-DOTOQJQBSA-N 2 0 344.459 1.287 20 0 EDADRP O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000872146155 596810326 /nfs/dbraw/zinc/81/03/26/596810326.db2.gz GYEAUQDXRVPZLY-MLHJIOFPSA-N 2 0 337.508 1.508 20 0 EDADRP CN1CC[NH+](C2CCN(c3nc(N)[nH+]c4c3CCCC4)CC2)CC1 ZINC000866212112 596829398 /nfs/dbraw/zinc/82/93/98/596829398.db2.gz PDTUGYICEOUQEU-UHFFFAOYSA-N 2 0 330.480 1.154 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875578140 596903727 /nfs/dbraw/zinc/90/37/27/596903727.db2.gz DGAPUQHDUHNXSD-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000875582346 596904781 /nfs/dbraw/zinc/90/47/81/596904781.db2.gz OMYQVBRWPVJUGD-FUHWJXTLSA-N 2 0 348.491 1.445 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)C[NH+]3CCCC3)c2)CC1 ZINC000874077913 596918156 /nfs/dbraw/zinc/91/81/56/596918156.db2.gz MNRQCBIVAGSTRG-UHFFFAOYSA-N 2 0 344.459 1.418 20 0 EDADRP CC(C)CN(CC1CC[NH+](C)CC1)C(=O)NCCc1cn(C)cn1 ZINC000875659054 596936878 /nfs/dbraw/zinc/93/68/78/596936878.db2.gz PMEJBMOJGQIMTN-UHFFFAOYSA-N 2 0 335.496 1.972 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@H]2CCCOC2)C[C@H]1C[NH+](C)C ZINC000875772635 596980609 /nfs/dbraw/zinc/98/06/09/596980609.db2.gz TWODEJAZHUYMDG-BRWVUGGUSA-N 2 0 340.512 1.184 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)C1 ZINC000876518365 597227924 /nfs/dbraw/zinc/22/79/24/597227924.db2.gz FMHQSBSADHZLSF-AWEZNQCLSA-N 2 0 345.443 1.876 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000876518110 597228181 /nfs/dbraw/zinc/22/81/81/597228181.db2.gz AKRDZGMKOPEDSK-CVEARBPZSA-N 2 0 345.443 1.907 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000876521809 597229191 /nfs/dbraw/zinc/22/91/91/597229191.db2.gz XKSKTUBGPIOBTP-OAHLLOKOSA-N 2 0 345.443 1.924 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876521633 597229375 /nfs/dbraw/zinc/22/93/75/597229375.db2.gz RYGVNQIFKBRGKM-WWGRRREGSA-N 2 0 349.406 1.482 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)c2)nn1 ZINC000873215960 597230481 /nfs/dbraw/zinc/23/04/81/597230481.db2.gz HNTHNHVPODARKU-GUDVDZBRSA-N 3 0 340.475 1.736 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@H](Oc3ccc(F)cc3)C2)C1 ZINC000873227515 597234003 /nfs/dbraw/zinc/23/40/03/597234003.db2.gz LCKDNFMEZBZGBH-PBHICJAKSA-N 2 0 335.423 1.476 20 0 EDADRP CC(C)c1cc([C@@H]2CCC[N@H+](C[C@H]3CCCN(C(=O)C[NH3+])C3)C2)[nH]n1 ZINC000873226803 597234117 /nfs/dbraw/zinc/23/41/17/597234117.db2.gz BOMMRQTVPJYHFT-HZPDHXFCSA-N 2 0 347.507 1.910 20 0 EDADRP C[C@H](NC[C@H]1CCC(C)(C)C[NH2+]1)c1cccc(S(N)(=O)=O)c1 ZINC000873237112 597235700 /nfs/dbraw/zinc/23/57/00/597235700.db2.gz MPVOMYBDORPDPS-GXTWGEPZSA-N 2 0 325.478 1.763 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C1CC[NH2+]CC1 ZINC000873271552 597244521 /nfs/dbraw/zinc/24/45/21/597244521.db2.gz JKILUYNDYKJUSX-YVEFUNNKSA-N 2 0 337.489 1.689 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)Cc1cccc(Cl)c1 ZINC000873296529 597249934 /nfs/dbraw/zinc/24/99/34/597249934.db2.gz HVEFTXAKVIELBE-XLAORIBOSA-N 2 0 338.879 1.990 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2Cc3ccccc32)C[C@H]1C[NH+](C)C ZINC000875137008 597297838 /nfs/dbraw/zinc/29/78/38/597297838.db2.gz QLAKNHHXQYEJMV-RCCFBDPRSA-N 2 0 344.503 1.707 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@]2(COC)C[NH2+]CCO2)c1 ZINC000876720878 597303992 /nfs/dbraw/zinc/30/39/92/597303992.db2.gz NMVYPPIYPHMATG-IBGZPJMESA-N 2 0 349.475 1.150 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000876753518 597323256 /nfs/dbraw/zinc/32/32/56/597323256.db2.gz LTBVZTVXEOPRBD-AEFFLSMTSA-N 2 0 335.448 1.357 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)cc1 ZINC000876757682 597325080 /nfs/dbraw/zinc/32/50/80/597325080.db2.gz HGBKWQUDSQAJCI-KBPBESRZSA-N 2 0 327.375 1.796 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3[C@H](C[NH3+])C3(F)F)CCCC2)CC1 ZINC000876760608 597327162 /nfs/dbraw/zinc/32/71/62/597327162.db2.gz WWHXIFIVRCGXSG-KBPBESRZSA-N 2 0 345.434 1.366 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876764159 597329181 /nfs/dbraw/zinc/32/91/81/597329181.db2.gz KNHSJGMVGJRDDO-GJZGRUSLSA-N 2 0 327.444 1.085 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)CC1 ZINC000876779526 597337878 /nfs/dbraw/zinc/33/78/78/597337878.db2.gz ILAWPVBLTUCLEF-QWGSZXSUSA-N 2 0 328.460 1.933 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000876887005 597369733 /nfs/dbraw/zinc/36/97/33/597369733.db2.gz HFLFCOFTRYIQKC-QGZUEGPWSA-N 2 0 328.460 1.970 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000876960871 597397628 /nfs/dbraw/zinc/39/76/28/597397628.db2.gz OJHXLMRBFVRTAT-BZSNNMDCSA-N 2 0 331.460 1.387 20 0 EDADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877053384 597423527 /nfs/dbraw/zinc/42/35/27/597423527.db2.gz LRVHYRPANSWENC-LSDHHAIUSA-N 2 0 325.840 1.125 20 0 EDADRP COc1cc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)ccn1 ZINC000877089253 597429040 /nfs/dbraw/zinc/42/90/40/597429040.db2.gz LREGVBAEIXQOJQ-BMGDILEWSA-N 2 0 333.476 1.989 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206795 597461565 /nfs/dbraw/zinc/46/15/65/597461565.db2.gz QGHTYEPYYNLOKT-AWEZNQCLSA-N 2 0 334.468 1.149 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)C[C@H]2[NH3+])cc1 ZINC000877238613 597474510 /nfs/dbraw/zinc/47/45/10/597474510.db2.gz ITJHNBUKBMUTFO-IMBTUZDBSA-N 2 0 329.444 1.338 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)C[C@H]2[NH3+])cc1 ZINC000877238330 597474793 /nfs/dbraw/zinc/47/47/93/597474793.db2.gz FVXCUIHAMQIILS-XWTMOSNGSA-N 2 0 329.444 1.479 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)c3ccccc3CC[NH3+])C[C@H]2[NH3+])cc1 ZINC000877239797 597475222 /nfs/dbraw/zinc/47/52/22/597475222.db2.gz WNXORKDECDVOKB-RBUKOAKNSA-N 2 0 339.439 1.763 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3C[C@H]4CC[C@@H](C3)[NH2+]4)ccn2)CC1 ZINC000877245232 597477013 /nfs/dbraw/zinc/47/70/13/597477013.db2.gz DRHUUKSUEVUCKV-ACHSLPGTSA-N 2 0 343.475 1.094 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)ccc21 ZINC000877288119 597487584 /nfs/dbraw/zinc/48/75/84/597487584.db2.gz NPXZVSQODAFBCK-FUHWJXTLSA-N 2 0 326.444 1.957 20 0 EDADRP COC(=O)N1CCC([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000877424482 597513095 /nfs/dbraw/zinc/51/30/95/597513095.db2.gz KJSWBKSGYFRJPE-CQSZACIVSA-N 2 0 341.496 1.678 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)[C@@H](c1ccccc1)N1CCN(C)CC1 ZINC000877438180 597515619 /nfs/dbraw/zinc/51/56/19/597515619.db2.gz JRADVEGJSYILRO-LJQANCHMSA-N 2 0 346.519 1.953 20 0 EDADRP [NH3+][C@H](C[C@H]1CCCN(C(=O)C[NH2+]C[C@H]2CCCO2)C1)C1CCCC1 ZINC000877449727 597516852 /nfs/dbraw/zinc/51/68/52/597516852.db2.gz RFHJGPSOWWVDOC-KBAYOESNSA-N 2 0 337.508 1.901 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(S(N)(=O)=O)s3)C2)CC1 ZINC000877497195 597525394 /nfs/dbraw/zinc/52/53/94/597525394.db2.gz JKJDKJGMSYGTKA-UHFFFAOYSA-N 2 0 343.518 1.703 20 0 EDADRP COCC[N@@H+](Cc1ccc(C(=O)OC)n1C)CC1CC[NH+](C)CC1 ZINC000877663891 597546071 /nfs/dbraw/zinc/54/60/71/597546071.db2.gz CMRRJBGYFYGKED-UHFFFAOYSA-N 2 0 337.464 1.602 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000877726709 597551548 /nfs/dbraw/zinc/55/15/48/597551548.db2.gz LRSPXZRJMBMOHL-IEBWSBKVSA-N 2 0 346.471 1.861 20 0 EDADRP Cn1nnnc1CCN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000878159958 597582920 /nfs/dbraw/zinc/58/29/20/597582920.db2.gz BKJVHSWRFSBZHH-IBGZPJMESA-N 2 0 340.475 1.741 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](C[C@@H]2CCCC(C)(C)O2)CC1 ZINC000878230180 597588403 /nfs/dbraw/zinc/58/84/03/597588403.db2.gz GHQSZUPSYHOAIG-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)CC(C)(C)O ZINC000878603201 597651568 /nfs/dbraw/zinc/65/15/68/597651568.db2.gz UIIJIYPGLBCUQQ-IBGZPJMESA-N 2 0 349.519 1.258 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000883350125 597722601 /nfs/dbraw/zinc/72/26/01/597722601.db2.gz XHFCFNSNVAWJPV-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CCN1c1cc[nH+]cc1 ZINC000883359256 597723899 /nfs/dbraw/zinc/72/38/99/597723899.db2.gz BOZFCVULOSSAGS-HZPDHXFCSA-N 2 0 331.464 1.644 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](C[C@@H](O)CCNC(=O)OC(C)(C)C)C2)CC1 ZINC000878864324 597738238 /nfs/dbraw/zinc/73/82/38/597738238.db2.gz YGXHWDVTKCFORT-HNNXBMFYSA-N 2 0 341.496 1.680 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883415873 597739314 /nfs/dbraw/zinc/73/93/14/597739314.db2.gz HEXVPIUMXAHOGP-JKSUJKDBSA-N 2 0 336.480 1.166 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000883586724 597815257 /nfs/dbraw/zinc/81/52/57/597815257.db2.gz RHLHISDLLZINEQ-SJLPKXTDSA-N 2 0 343.475 1.845 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COC[C@@H]2CCCO2)CCN1c1cc[nH+]cc1 ZINC000880260503 597886362 /nfs/dbraw/zinc/88/63/62/597886362.db2.gz DBOHNVSKJOPFGZ-NXHRZFHOSA-N 2 0 335.448 1.149 20 0 EDADRP C[C@H](C(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000882384570 597952515 /nfs/dbraw/zinc/95/25/15/597952515.db2.gz QIIIBDLFQBGBMP-MRXNPFEDSA-N 2 0 333.476 1.470 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)c1 ZINC000884025315 597971642 /nfs/dbraw/zinc/97/16/42/597971642.db2.gz SBMJREZIQMQSSS-UHFFFAOYSA-N 2 0 341.415 1.081 20 0 EDADRP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884177005 598015753 /nfs/dbraw/zinc/01/57/53/598015753.db2.gz XJDBLLTUFOXLND-MRXNPFEDSA-N 2 0 347.507 1.732 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCOCC1 ZINC000884222011 598033858 /nfs/dbraw/zinc/03/38/58/598033858.db2.gz GATAMPQNQOTLOG-DOTOQJQBSA-N 2 0 349.475 1.366 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000884227889 598036779 /nfs/dbraw/zinc/03/67/79/598036779.db2.gz AJGDAHJGXYVTCG-UHFFFAOYSA-N 2 0 348.491 1.041 20 0 EDADRP CC1(CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]CC1 ZINC000884247541 598042476 /nfs/dbraw/zinc/04/24/76/598042476.db2.gz YRWQUTCRTHPGIM-ZDUSSCGKSA-N 2 0 340.265 1.955 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884390000 598090144 /nfs/dbraw/zinc/09/01/44/598090144.db2.gz LOQAQSPTQFUFRT-GDLCADMTSA-N 2 0 340.265 1.905 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCc1nc(CN(C)C)cs1 ZINC000914081100 695078010 /nfs/dbraw/zinc/07/80/10/695078010.db2.gz POSQRTRNZUSQTJ-CYBMUJFWSA-N 2 0 339.509 1.878 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914160490 695171894 /nfs/dbraw/zinc/17/18/94/695171894.db2.gz FFCSOUZULKPIFR-BPUTZDHNSA-N 2 0 338.521 1.350 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000914160680 695172485 /nfs/dbraw/zinc/17/24/85/695172485.db2.gz ISEKGDJWPNETKN-MAUKXSAKSA-N 2 0 345.491 1.858 20 0 EDADRP Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@H]3C2)ccc2c[nH+]cn21 ZINC000992738855 695260899 /nfs/dbraw/zinc/26/08/99/695260899.db2.gz IKWJVAOSXLVOON-JCGIZDLHSA-N 2 0 342.443 1.465 20 0 EDADRP C[NH+](C)CC1CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000914311624 695350173 /nfs/dbraw/zinc/35/01/73/695350173.db2.gz ZBRSHAWYDABOQY-INIZCTEOSA-N 2 0 329.510 1.076 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cncs3)[C@H]2C1 ZINC000992914026 695450494 /nfs/dbraw/zinc/45/04/94/695450494.db2.gz FLYAVEAWUFZHCR-XIRDDKMYSA-N 2 0 348.516 1.956 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)S(=O)(=O)C1C[NH2+]C1 ZINC000923597046 695743394 /nfs/dbraw/zinc/74/33/94/695743394.db2.gz VVEZJUQYARKULO-UHFFFAOYSA-N 2 0 331.869 1.005 20 0 EDADRP CC[C@@H](C(=O)N1CC(NC(=O)c2cccc(C[NH+](C)C)c2)C1)[NH+](C)C ZINC000993829352 696397659 /nfs/dbraw/zinc/39/76/59/696397659.db2.gz JFPPDRYHTRVFKE-KRWDZBQOSA-N 2 0 346.475 1.029 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CCC[N@H+](CCn3cccn3)[C@H]2C)CC1 ZINC000994081802 696516595 /nfs/dbraw/zinc/51/65/95/696516595.db2.gz PVOVFCILJDNRKF-ZWKOTPCHSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CC1CCOCC1 ZINC000994261111 696674588 /nfs/dbraw/zinc/67/45/88/696674588.db2.gz YWUJVXSDJKDPID-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000916578086 696682872 /nfs/dbraw/zinc/68/28/72/696682872.db2.gz TVJQXOXVHYWMHQ-INIZCTEOSA-N 2 0 345.491 1.902 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000917889661 697103567 /nfs/dbraw/zinc/10/35/67/697103567.db2.gz HFUWSJVFYNOPQT-OAGGEKHMSA-N 2 0 340.537 1.740 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+]([C@H]2CCc3c2cccc3F)C1 ZINC001031585058 697280670 /nfs/dbraw/zinc/28/06/70/697280670.db2.gz PBGXQFPNDDQMEZ-ZWKOTPCHSA-N 2 0 331.435 1.955 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC[C@H]2CCCC2(F)F)C1 ZINC001031585170 697280912 /nfs/dbraw/zinc/28/09/12/697280912.db2.gz RDGSAETWICNQDE-HUUCEWRRSA-N 2 0 329.435 1.954 20 0 EDADRP C[NH+](C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000919657234 697311615 /nfs/dbraw/zinc/31/16/15/697311615.db2.gz HRUFECWLGXNUGE-SFHVURJKSA-N 2 0 332.492 1.897 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)C1 ZINC000921331136 697558305 /nfs/dbraw/zinc/55/83/05/697558305.db2.gz XIZBNDXJCZLRGY-OIISXLGYSA-N 2 0 338.496 1.412 20 0 EDADRP Cc1ncsc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939053559 699113669 /nfs/dbraw/zinc/11/36/69/699113669.db2.gz APPCBNLBFMFTMV-SWLSCSKDSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)s1 ZINC000939054378 699114700 /nfs/dbraw/zinc/11/47/00/699114700.db2.gz IPSBAZKKTMGKAV-BLLLJJGKSA-N 2 0 336.505 1.730 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC001031776615 699151347 /nfs/dbraw/zinc/15/13/47/699151347.db2.gz KYQICVOVIWTPOO-GOSISDBHSA-N 2 0 331.460 1.728 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)cc1 ZINC001031777048 699161073 /nfs/dbraw/zinc/16/10/73/699161073.db2.gz UWROUXXOKXFDLM-GOSISDBHSA-N 2 0 331.460 1.728 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939127344 699205201 /nfs/dbraw/zinc/20/52/01/699205201.db2.gz CLLRRTYXHZBYRQ-KGLIPLIRSA-N 2 0 336.505 1.812 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)C1 ZINC000941603759 701593573 /nfs/dbraw/zinc/59/35/73/701593573.db2.gz NZMITYSBXXFTOV-PKOBYXMFSA-N 2 0 348.535 1.632 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939256865 699433842 /nfs/dbraw/zinc/43/38/42/699433842.db2.gz FTSNBPDRQNAVPX-RHSMWYFYSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)nn1C ZINC000939257332 699434674 /nfs/dbraw/zinc/43/46/74/699434674.db2.gz LRROWZMVNSXJGZ-KBXCAEBGSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC3CC[NH+](C)CC3)C[C@@H]2C)ncn1 ZINC000939259072 699436700 /nfs/dbraw/zinc/43/67/00/699436700.db2.gz SWIGALCZNZYYGE-KBXCAEBGSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncsc1CN1CC(CNC(=O)c2ccn3c[nH+]cc3c2)C1 ZINC001031816583 699516839 /nfs/dbraw/zinc/51/68/39/699516839.db2.gz GFQZAOAWRXJRGO-UHFFFAOYSA-N 2 0 341.440 1.961 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939395330 699545450 /nfs/dbraw/zinc/54/54/50/699545450.db2.gz GLJHWVQNSLAAIN-PBHICJAKSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939397128 699546882 /nfs/dbraw/zinc/54/68/82/699546882.db2.gz LMWHFVMXLLQAFY-WBVHZDCISA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939398342 699547590 /nfs/dbraw/zinc/54/75/90/699547590.db2.gz OTRQDMMOSOPEPF-WBVHZDCISA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)COC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939424593 699574485 /nfs/dbraw/zinc/57/44/85/699574485.db2.gz YEGBMYZUHRZLQZ-YJBOKZPZSA-N 2 0 346.475 1.129 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)oc1C ZINC000995165416 701610709 /nfs/dbraw/zinc/61/07/09/701610709.db2.gz DRIFKISWUBQTRB-HOTGVXAUSA-N 2 0 346.475 1.762 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677134 701615824 /nfs/dbraw/zinc/61/58/24/701615824.db2.gz LUZMKQMRZGOYQQ-IRXDYDNUSA-N 2 0 336.524 1.488 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3ccnc3C)C[C@@H]2C)cc1 ZINC000939748568 699895581 /nfs/dbraw/zinc/89/55/81/699895581.db2.gz QNQXLXMANJHYLU-KSSFIOAISA-N 2 0 342.443 1.837 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)cc1F ZINC000939756573 699922811 /nfs/dbraw/zinc/92/28/11/699922811.db2.gz VINGHSRBHJZYHC-RHSMWYFYSA-N 2 0 349.450 1.867 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939756687 699923249 /nfs/dbraw/zinc/92/32/49/699923249.db2.gz VRTYOJPTKQQXOA-DYVFJYSZSA-N 2 0 337.414 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939808137 699957071 /nfs/dbraw/zinc/95/70/71/699957071.db2.gz BYINMNNWMRTEDU-WBVHZDCISA-N 2 0 333.480 1.233 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)o1 ZINC000939813269 699960595 /nfs/dbraw/zinc/96/05/95/699960595.db2.gz YPVDSTVNXQCUQT-RHSMWYFYSA-N 2 0 334.464 1.796 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940141847 700269800 /nfs/dbraw/zinc/26/98/00/700269800.db2.gz INBFWSFPDFTVIE-MRXNPFEDSA-N 2 0 345.491 1.822 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnc(C)nc2)CC1)[NH+](C)C ZINC000940176792 700309732 /nfs/dbraw/zinc/30/97/32/700309732.db2.gz PBGFZPAYESQRIG-MRXNPFEDSA-N 2 0 333.480 1.596 20 0 EDADRP CCn1nncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940178060 700311111 /nfs/dbraw/zinc/31/11/11/700311111.db2.gz BATDOWFREYWGIN-MRXNPFEDSA-N 2 0 348.495 1.253 20 0 EDADRP CO[C@H](C)C[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001031874181 700332896 /nfs/dbraw/zinc/33/28/96/700332896.db2.gz KTGNFBMWRQZSBE-OAHLLOKOSA-N 2 0 333.476 1.487 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940295818 700467454 /nfs/dbraw/zinc/46/74/54/700467454.db2.gz CCCUABYHWNMDHT-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC000940327930 700505394 /nfs/dbraw/zinc/50/53/94/700505394.db2.gz AARHGECQBLOBFQ-HNNXBMFYSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000940327990 700505937 /nfs/dbraw/zinc/50/59/37/700505937.db2.gz BVSZJLXHCLXISI-XJKSGUPXSA-N 2 0 348.491 1.960 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)n1 ZINC000940328362 700506236 /nfs/dbraw/zinc/50/62/36/700506236.db2.gz HPPLTOKIWAUDCP-OAHLLOKOSA-N 2 0 348.495 1.253 20 0 EDADRP CC1([NH2+]C[C@H]2C[C@@]23CCOC3)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940428201 700622418 /nfs/dbraw/zinc/62/24/18/700622418.db2.gz YBEIHTKAIKZRLS-OXQOHEQNSA-N 2 0 347.503 1.480 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nonc2C)CC1 ZINC000940471957 700657173 /nfs/dbraw/zinc/65/71/73/700657173.db2.gz CYGURSDFHJDJIC-INIZCTEOSA-N 2 0 349.479 1.723 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940472291 700657573 /nfs/dbraw/zinc/65/75/73/700657573.db2.gz QNZHGFOHPZUZTP-GJZGRUSLSA-N 2 0 348.495 1.159 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940472739 700658080 /nfs/dbraw/zinc/65/80/80/700658080.db2.gz TXAUIHJTGDSITM-INIZCTEOSA-N 2 0 345.491 1.822 20 0 EDADRP Cc1cnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995078535 700670971 /nfs/dbraw/zinc/67/09/71/700670971.db2.gz KLGAJEAPJCYYLG-GDBMZVCRSA-N 2 0 334.464 1.699 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3ncccn3)C2)CC1 ZINC000995078699 700671782 /nfs/dbraw/zinc/67/17/82/700671782.db2.gz LGYNPHUMFVQOTP-GOEBONIOSA-N 2 0 331.464 1.193 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCOCC3)C2)CC1 ZINC000995079873 700694687 /nfs/dbraw/zinc/69/46/87/700694687.db2.gz PMGMUXHGRLMADR-AEFFLSMTSA-N 2 0 337.508 1.629 20 0 EDADRP Cn1nccc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995080990 700708686 /nfs/dbraw/zinc/70/86/86/700708686.db2.gz SXYOMYNTGIMHLP-GDBMZVCRSA-N 2 0 333.480 1.136 20 0 EDADRP Cc1ncccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995169899 701668297 /nfs/dbraw/zinc/66/82/97/701668297.db2.gz VZJLJQDHFYEVMJ-WMZOPIPTSA-N 2 0 342.487 1.860 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cnns2)C1)C12CC[NH+](CC1)C2 ZINC000995170185 701676491 /nfs/dbraw/zinc/67/64/91/701676491.db2.gz WJZDWPAZRDUCQO-STQMWFEESA-N 2 0 335.477 1.008 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCOC2)CC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC000940865458 700947442 /nfs/dbraw/zinc/94/74/42/700947442.db2.gz ZFSMNWKMEPUXLM-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1CC[N@H+](CCO)CC1(C)C ZINC000940918031 700995378 /nfs/dbraw/zinc/99/53/78/700995378.db2.gz IOEWJCQZIJUDEC-SFHVURJKSA-N 2 0 347.503 1.613 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[NH+](CCCO)CC2(C)C)C1 ZINC000940972635 701014744 /nfs/dbraw/zinc/01/47/44/701014744.db2.gz OMZVTAISCFLFJH-SJORKVTESA-N 2 0 339.524 1.708 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029705 701070683 /nfs/dbraw/zinc/07/06/83/701070683.db2.gz ZIHNXBOKJXAJHI-HZPDHXFCSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080285 701142487 /nfs/dbraw/zinc/14/24/87/701142487.db2.gz WBHGCGHOVLLGCW-ZBFHGGJFSA-N 2 0 325.497 1.316 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@H]2CCCCO2)C1 ZINC001031931537 701381157 /nfs/dbraw/zinc/38/11/57/701381157.db2.gz KJTLHQLBZLKDAU-MRXNPFEDSA-N 2 0 335.448 1.572 20 0 EDADRP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215702 701401847 /nfs/dbraw/zinc/40/18/47/701401847.db2.gz AEPWNKXIGAQOTP-GOEBONIOSA-N 2 0 334.464 1.651 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999170381 706600015 /nfs/dbraw/zinc/60/00/15/706600015.db2.gz PTDAYWYCWCMCEC-SJORKVTESA-N 2 0 346.475 1.659 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccn(C)n3)C2)CC1 ZINC000995132169 701417543 /nfs/dbraw/zinc/41/75/43/701417543.db2.gz IAVNHPAPTZKQER-IRXDYDNUSA-N 2 0 347.507 1.527 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC000995132190 701418066 /nfs/dbraw/zinc/41/80/66/701418066.db2.gz IGAXNWGRYYXFBU-IAGOWNOFSA-N 2 0 347.507 1.527 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129005 701804266 /nfs/dbraw/zinc/80/42/66/701804266.db2.gz OILDVXDKJUAEHG-WMZOPIPTSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999176416 706618167 /nfs/dbraw/zinc/61/81/67/706618167.db2.gz WMDAHQJYTNTAIW-HZPDHXFCSA-N 2 0 348.516 1.874 20 0 EDADRP COc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1C ZINC001031976534 701966675 /nfs/dbraw/zinc/96/66/75/701966675.db2.gz OAXBSIFLSQXPMU-KBXCAEBGSA-N 2 0 345.487 1.749 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)on1 ZINC000995825806 702097954 /nfs/dbraw/zinc/09/79/54/702097954.db2.gz SACHOVRTCIJZJG-IRXDYDNUSA-N 2 0 346.475 1.651 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)cn1 ZINC000995893729 702195229 /nfs/dbraw/zinc/19/52/29/702195229.db2.gz IYRFSXQOJGFLHZ-HNNXBMFYSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC2(C)C)cn1 ZINC000995887007 702224320 /nfs/dbraw/zinc/22/43/20/702224320.db2.gz NELSDCZYOKDRHI-MRXNPFEDSA-N 2 0 345.491 1.596 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995917502 702236147 /nfs/dbraw/zinc/23/61/47/702236147.db2.gz VNFDHHZSJLNWSK-IRXDYDNUSA-N 2 0 347.507 1.584 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]Cc2cc(OC)ccn2)C(C)(C)C1)[NH+](C)C ZINC000995952983 702317003 /nfs/dbraw/zinc/31/70/03/702317003.db2.gz SZZGNTKKDWPWKR-IAGOWNOFSA-N 2 0 348.491 1.757 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]([NH2+]CCn2cccn2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996130245 702561861 /nfs/dbraw/zinc/56/18/61/702561861.db2.gz YWRWUWDOUUHOTP-MRXNPFEDSA-N 2 0 347.507 1.584 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1C[C@@H](NCc2ccon2)C(C)(C)C1 ZINC000996198052 702624694 /nfs/dbraw/zinc/62/46/94/702624694.db2.gz NFDCDROEEKORQE-OAHLLOKOSA-N 2 0 346.431 1.970 20 0 EDADRP CCn1nnc(C)c1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995205925 702646136 /nfs/dbraw/zinc/64/61/36/702646136.db2.gz CXTZVTPYCFDULP-HZPDHXFCSA-N 2 0 348.495 1.077 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996246640 702650022 /nfs/dbraw/zinc/65/00/22/702650022.db2.gz JHRBBJBTASMOID-QGZVFWFLSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)s1 ZINC000995211125 702683015 /nfs/dbraw/zinc/68/30/15/702683015.db2.gz NHOSQTUTKABNQY-LSDHHAIUSA-N 2 0 336.505 1.922 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2cncs2)C(C)(C)C1 ZINC000996299742 702690531 /nfs/dbraw/zinc/69/05/31/702690531.db2.gz DLPQPAJBTGACGR-UKRRQHHQSA-N 2 0 336.505 1.954 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995218602 702754741 /nfs/dbraw/zinc/75/47/41/702754741.db2.gz YGCALLSBYOOMJQ-JKSUJKDBSA-N 2 0 345.491 1.300 20 0 EDADRP CCn1cc(CC[NH2+][C@@H]2CN(C(=O)Cc3ncc[nH]3)CC2(C)C)cn1 ZINC000996454783 702799370 /nfs/dbraw/zinc/79/93/70/702799370.db2.gz CAYMPANHSQVHRU-OAHLLOKOSA-N 2 0 344.463 1.238 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)o1 ZINC000996479472 702811237 /nfs/dbraw/zinc/81/12/37/702811237.db2.gz ZQOWSSLYTWGKHJ-NVXWUHKLSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]CCn2cncn2)CC1)[NH+]1CCCCC1 ZINC000996533410 702847970 /nfs/dbraw/zinc/84/79/70/702847970.db2.gz BUAZUAHIMZZUGR-UHFFFAOYSA-N 2 0 348.495 1.123 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)oc1C ZINC000996561036 702875298 /nfs/dbraw/zinc/87/52/98/702875298.db2.gz NUPMWOGIZBMWBS-QGZVFWFLSA-N 2 0 346.475 1.714 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561461 702875517 /nfs/dbraw/zinc/87/55/17/702875517.db2.gz PBKHRMFQPKUUAE-YOEHRIQHSA-N 2 0 346.475 1.966 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1cnccn1 ZINC000996560519 702878956 /nfs/dbraw/zinc/87/89/56/702878956.db2.gz IYZRGPVVXSYJIY-WMLDXEAASA-N 2 0 343.475 1.460 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccccn2)CC1 ZINC000996617316 702924229 /nfs/dbraw/zinc/92/42/29/702924229.db2.gz AIRKAXYVPPYBGC-MSOLQXFVSA-N 2 0 344.459 1.025 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+][C@H](C)c2nnc(C)o2)CC1 ZINC000996643690 702946422 /nfs/dbraw/zinc/94/64/22/702946422.db2.gz DXNLFCBVMJURMB-CZUORRHYSA-N 2 0 349.479 1.894 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1ncccn1 ZINC000996667818 702964737 /nfs/dbraw/zinc/96/47/37/702964737.db2.gz YYIYUSBDZSAPCE-CQSZACIVSA-N 2 0 331.464 1.603 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)o1 ZINC000996664764 702967047 /nfs/dbraw/zinc/96/70/47/702967047.db2.gz ITDHPCWEGSMGBH-LBPRGKRZSA-N 2 0 335.452 1.504 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC000996669803 702971280 /nfs/dbraw/zinc/97/12/80/702971280.db2.gz IAKQUUSAFXLGNB-QGZVFWFLSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)s1 ZINC000996678857 702977472 /nfs/dbraw/zinc/97/74/72/702977472.db2.gz OHOPWRZJNSUKBW-MRXNPFEDSA-N 2 0 336.505 1.872 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2nncn2C)CC1)[NH+](C)C ZINC000996690908 702987166 /nfs/dbraw/zinc/98/71/66/702987166.db2.gz GEHVDUDLFFDHDI-HIFRSBDPSA-N 2 0 336.484 1.043 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)s1 ZINC000996686508 702992939 /nfs/dbraw/zinc/99/29/39/702992939.db2.gz BSJPOVMRTDKDKW-HNNXBMFYSA-N 2 0 339.509 1.513 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]CCc2scnc2C)CC1)[NH+](C)C ZINC000996713264 703008142 /nfs/dbraw/zinc/00/81/42/703008142.db2.gz RQLFNKMRPALHCC-OAHLLOKOSA-N 2 0 338.521 1.915 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000996722539 703017793 /nfs/dbraw/zinc/01/77/93/703017793.db2.gz IZHJPGLQCXOMSJ-KRWDZBQOSA-N 2 0 333.480 1.468 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1ncccn1 ZINC000996725117 703019850 /nfs/dbraw/zinc/01/98/50/703019850.db2.gz SAUHMMMFGICAAN-GOEBONIOSA-N 2 0 331.464 1.603 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000996730528 703027159 /nfs/dbraw/zinc/02/71/59/703027159.db2.gz UKXCHFYOLCPZRM-KRWDZBQOSA-N 2 0 346.475 1.655 20 0 EDADRP O=C(N1CCC([NH2+]C[C@H]2C[C@@]23CCOC3)CC1)C12CCC[NH+]1CCC2 ZINC000996768396 703059721 /nfs/dbraw/zinc/05/97/21/703059721.db2.gz ZZPRPALMRHEKDE-VQIMIIECSA-N 2 0 347.503 1.622 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000996945906 703214690 /nfs/dbraw/zinc/21/46/90/703214690.db2.gz KFZHTUPTWBLSHN-UHFFFAOYSA-N 2 0 346.475 1.513 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996946960 703216524 /nfs/dbraw/zinc/21/65/24/703216524.db2.gz QPHGHEDMCJKWRA-UHFFFAOYSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000996951564 703222302 /nfs/dbraw/zinc/22/23/02/703222302.db2.gz GZPDRDMFXGPMFD-HNNXBMFYSA-N 2 0 345.491 1.768 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2C[NH+](CC3CCCCC3)C2)cn1 ZINC001032044726 703248326 /nfs/dbraw/zinc/24/83/26/703248326.db2.gz ZJHJXQJJHCNADE-UHFFFAOYSA-N 2 0 347.507 1.687 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996995229 703252117 /nfs/dbraw/zinc/25/21/17/703252117.db2.gz MPBPWDXACNWGBU-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3CCC[C@@H]3C)CC2)ncn1 ZINC000996997830 703254755 /nfs/dbraw/zinc/25/47/55/703254755.db2.gz HQDZJIOTTCEXHF-HNNXBMFYSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996998476 703255439 /nfs/dbraw/zinc/25/54/39/703255439.db2.gz KARKPYROXCZTSU-QWHCGFSZSA-N 2 0 335.452 1.504 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CC2CC(F)(F)C2)CC1 ZINC000997004208 703261135 /nfs/dbraw/zinc/26/11/35/703261135.db2.gz CBIXOBAAUMFOTD-IUODEOHRSA-N 2 0 329.435 1.810 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997006275 703263492 /nfs/dbraw/zinc/26/34/92/703263492.db2.gz FPJMMUICRKLTAL-SJCJKPOMSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1 ZINC000997006912 703264086 /nfs/dbraw/zinc/26/40/86/703264086.db2.gz HFRGCZAHFKIPBZ-SUMWQHHRSA-N 2 0 334.439 1.499 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008509 703266315 /nfs/dbraw/zinc/26/63/15/703266315.db2.gz MXOZRZGREDDAJR-KSSFIOAISA-N 2 0 345.491 1.108 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)n1 ZINC000997009351 703270000 /nfs/dbraw/zinc/27/00/00/703270000.db2.gz ZTCJGTAHLYSDGR-OAHLLOKOSA-N 2 0 346.475 1.513 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2cc(OC)ccn2)CC1)[NH+](C)C ZINC000997010292 703270605 /nfs/dbraw/zinc/27/06/05/703270605.db2.gz SIKUUOAICJHKJX-KRWDZBQOSA-N 2 0 334.464 1.511 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000997011416 703271599 /nfs/dbraw/zinc/27/15/99/703271599.db2.gz VIYCXRRXQKCOJQ-LRDDRELGSA-N 2 0 334.464 1.570 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nn(CC)nc2C)CC1)[NH+](C)C ZINC000997014138 703273545 /nfs/dbraw/zinc/27/35/45/703273545.db2.gz GOGKOMXYCHDILN-INIZCTEOSA-N 2 0 336.484 1.027 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C)Cc2c[nH]cn2)CC1)c1cnccn1 ZINC000997084203 703322260 /nfs/dbraw/zinc/32/22/60/703322260.db2.gz KWQBKPZVIRTEHU-UONOGXRCSA-N 2 0 342.447 1.720 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cnn(C)c2)CC[C@H]1NC(=O)C[NH+]1CCC(C)(C)C1 ZINC000942821685 703330091 /nfs/dbraw/zinc/33/00/91/703330091.db2.gz GDCCWVBOVYDCSF-NVXWUHKLSA-N 2 0 347.507 1.479 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1C[C@@H]2C[C@H]1C[N@@H+]2CCc1ccccc1 ZINC001032405659 703429775 /nfs/dbraw/zinc/42/97/75/703429775.db2.gz NDWWIIHLYNZSAL-UFYCRDLUSA-N 2 0 339.483 1.856 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000997184120 703466294 /nfs/dbraw/zinc/46/62/94/703466294.db2.gz MQTDBYCNQXJWOA-WBVHZDCISA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997180313 703470607 /nfs/dbraw/zinc/47/06/07/703470607.db2.gz OTZOQQJLGPUHAF-FUHWJXTLSA-N 2 0 347.507 1.584 20 0 EDADRP C[C@@H](NC(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC000997229380 703505206 /nfs/dbraw/zinc/50/52/06/703505206.db2.gz VAPPKROVWUIGJJ-UZTJYVCTSA-N 2 0 347.503 1.476 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997300996 703544487 /nfs/dbraw/zinc/54/44/87/703544487.db2.gz ZBGBDUFPUIMHGY-CQSZACIVSA-N 2 0 332.448 1.123 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccnc(Cl)c3)CC2)C1 ZINC000997297222 703555640 /nfs/dbraw/zinc/55/56/40/703555640.db2.gz DGMZSJWBFDZIHJ-AWEZNQCLSA-N 2 0 336.867 1.767 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997299468 703556629 /nfs/dbraw/zinc/55/66/29/703556629.db2.gz NTTNTUQYYHEIEZ-CQSZACIVSA-N 2 0 334.464 1.578 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000997306262 703565063 /nfs/dbraw/zinc/56/50/63/703565063.db2.gz BCWXMLOTNTVLKL-UHFFFAOYSA-N 2 0 334.468 1.035 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)ncn1 ZINC000997360243 703590634 /nfs/dbraw/zinc/59/06/34/703590634.db2.gz MVHBGDIQPAEYKM-HZPDHXFCSA-N 2 0 345.491 1.738 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)nn1 ZINC000997361587 703595764 /nfs/dbraw/zinc/59/57/64/703595764.db2.gz WHQWYKQIHUGYOA-HUUCEWRRSA-N 2 0 348.495 1.251 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)cn2)CC1 ZINC000997366607 703600582 /nfs/dbraw/zinc/60/05/82/703600582.db2.gz HJQHXXDVTLJBRP-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1ncsc1C[NH2+]CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000997605640 703903337 /nfs/dbraw/zinc/90/33/37/703903337.db2.gz GRVXAGODGLHCET-OAHLLOKOSA-N 2 0 336.505 1.874 20 0 EDADRP COc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC000997611939 703909274 /nfs/dbraw/zinc/90/92/74/703909274.db2.gz IFGBLOPXBJJKPY-OAHLLOKOSA-N 2 0 336.436 1.106 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC2)sn1 ZINC000997613804 703913320 /nfs/dbraw/zinc/91/33/20/703913320.db2.gz PYHSGYWKNMMXAS-INIZCTEOSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997640961 703945835 /nfs/dbraw/zinc/94/58/35/703945835.db2.gz CHLSEVYBQWUBKD-YJBOKZPZSA-N 2 0 347.507 1.621 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2cc3n(n2)CCC3)C(C)(C)C1 ZINC000995550923 703954631 /nfs/dbraw/zinc/95/46/31/703954631.db2.gz KQIXENAXLXXJTD-IAGOWNOFSA-N 2 0 345.491 1.250 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033071340 704092629 /nfs/dbraw/zinc/09/26/29/704092629.db2.gz ZHCAVNNSFJLACU-SJORKVTESA-N 2 0 333.480 1.289 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033080208 704145327 /nfs/dbraw/zinc/14/53/27/704145327.db2.gz FOUSUMSFYWAFBD-NVXWUHKLSA-N 2 0 348.516 1.560 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033080191 704145689 /nfs/dbraw/zinc/14/56/89/704145689.db2.gz FDVFXERSGMJNNJ-SJLPKXTDSA-N 2 0 335.492 1.430 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CCN(Cc3cnc(C)o3)C2)CC[N@@H+]1C ZINC001033100021 704225078 /nfs/dbraw/zinc/22/50/78/704225078.db2.gz VLJZXGZMRNDSNQ-BHYGNILZSA-N 2 0 334.464 1.746 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[NH+]2C1)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946592697 704230513 /nfs/dbraw/zinc/23/05/13/704230513.db2.gz USINFWYQICIKNQ-RDGPPVDQSA-N 2 0 349.519 1.414 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)CCc3ncc[nH]3)CC2)no1 ZINC000997739745 704637828 /nfs/dbraw/zinc/63/78/28/704637828.db2.gz YISIYCBIGTVIDH-UHFFFAOYSA-N 2 0 331.420 1.667 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000997830243 704748632 /nfs/dbraw/zinc/74/86/32/704748632.db2.gz FWOGZWXKFWWISO-SFHVURJKSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000997831036 704751341 /nfs/dbraw/zinc/75/13/41/704751341.db2.gz PBWFIVAUVKZDBS-BLLLJJGKSA-N 2 0 348.495 1.343 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997831045 704751428 /nfs/dbraw/zinc/75/14/28/704751428.db2.gz PDGKOKRYWVILJO-GOSISDBHSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cccnc2)CC1 ZINC000997836946 704754019 /nfs/dbraw/zinc/75/40/19/704754019.db2.gz ODAQHJCUUTWNGA-INIZCTEOSA-N 2 0 342.487 1.894 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000997860916 704771675 /nfs/dbraw/zinc/77/16/75/704771675.db2.gz OCXCYTCEEVPJDS-DOTOQJQBSA-N 2 0 330.476 1.750 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cnns2)CC1 ZINC000997866811 704772189 /nfs/dbraw/zinc/77/21/89/704772189.db2.gz UZCNRHRXWFQVOK-OAHLLOKOSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000997865088 704772539 /nfs/dbraw/zinc/77/25/39/704772539.db2.gz KWKLTAPLPLOETF-QGZVFWFLSA-N 2 0 334.464 1.796 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CC)[C@H]2CCC[NH+](CCCO)CC2)CC[N@@H+]1C ZINC000998004433 705166719 /nfs/dbraw/zinc/16/67/19/705166719.db2.gz AIQUZOMYIFUJMF-OKZBNKHCSA-N 2 0 339.524 1.802 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998030920 705220631 /nfs/dbraw/zinc/22/06/31/705220631.db2.gz HIXULUQMGHMCFB-UHFFFAOYSA-N 2 0 345.491 1.455 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)nc1 ZINC000998080545 705306077 /nfs/dbraw/zinc/30/60/77/705306077.db2.gz DBYJZTOUIDMXJP-OAHLLOKOSA-N 2 0 345.491 1.455 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC000998082514 705310145 /nfs/dbraw/zinc/31/01/45/705310145.db2.gz QDSUWWWRTJODMB-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000998083136 705311994 /nfs/dbraw/zinc/31/19/94/705311994.db2.gz VNOASFTZZHNEHR-DOTOQJQBSA-N 2 0 347.507 1.429 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+][C@H](C)c2cnccn2)CC1)[NH+](C)C ZINC000998085674 705317265 /nfs/dbraw/zinc/31/72/65/705317265.db2.gz ICVRSKSOBIOQPO-PBHICJAKSA-N 2 0 333.480 1.706 20 0 EDADRP CC[N@@H+]1CCC[C@@H](N(C)C(=O)[C@@H]2COCCN2CC2CCC2)CC1 ZINC000948647938 705423185 /nfs/dbraw/zinc/42/31/85/705423185.db2.gz NVOHCLOYYVCHBW-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998216411 705538547 /nfs/dbraw/zinc/53/85/47/705538547.db2.gz HSKHFZHLULZJLB-MRXNPFEDSA-N 2 0 348.466 1.891 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000998216656 705538870 /nfs/dbraw/zinc/53/88/70/705538870.db2.gz JNXRMZQJJYEQIU-MSOLQXFVSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998221887 705547803 /nfs/dbraw/zinc/54/78/03/705547803.db2.gz JBLJSRGCCKLAEK-UHFFFAOYSA-N 2 0 332.448 1.407 20 0 EDADRP COc1ccc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998273387 705653995 /nfs/dbraw/zinc/65/39/95/705653995.db2.gz PFFIEZAOCVAUAM-QGZVFWFLSA-N 2 0 346.475 1.370 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)[nH]1 ZINC000998288591 705688635 /nfs/dbraw/zinc/68/86/35/705688635.db2.gz WNEOWSKBXASMDE-KBPBESRZSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1nc(CCN2C[C@@H]3C[C@H]2CN3C(=O)C[N@H+]2CCC[C@H]2C)cs1 ZINC001032627435 705730389 /nfs/dbraw/zinc/73/03/89/705730389.db2.gz WASMLMMLHPOEQK-COXVUDFISA-N 2 0 348.516 1.763 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2Cc1cccc(COC)c1)[NH+](C)C ZINC001032633988 705866953 /nfs/dbraw/zinc/86/69/53/705866953.db2.gz BTUHEAINEQCAQG-FHWLQOOXSA-N 2 0 345.487 1.958 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998536482 705970278 /nfs/dbraw/zinc/97/02/78/705970278.db2.gz VVGHYPWUYFJUBF-JCYILVPMSA-N 2 0 333.480 1.637 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCn2cc(Cl)cn2)C1 ZINC000998730773 706163452 /nfs/dbraw/zinc/16/34/52/706163452.db2.gz KTFPLASYYXSFJA-GJZGRUSLSA-N 2 0 339.871 1.211 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000998771016 706212908 /nfs/dbraw/zinc/21/29/08/706212908.db2.gz RQWRVMPTEOJTPN-KLAILNCOSA-N 2 0 337.508 1.866 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1)C1CC([NH2+]CCF)C1 ZINC000998898860 706326635 /nfs/dbraw/zinc/32/66/35/706326635.db2.gz NJBJODVIMMSVIQ-AVVWSFFYSA-N 2 0 327.444 1.178 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CCC[N@H+]3C(C)C)C2)[nH]1 ZINC000998901294 706337816 /nfs/dbraw/zinc/33/78/16/706337816.db2.gz MBGHBLWYYAFZSO-PCKAHOCUSA-N 2 0 348.495 1.455 20 0 EDADRP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CN(C)C[C@@H](C)O3)C2)cc1 ZINC000998988556 706420575 /nfs/dbraw/zinc/42/05/75/706420575.db2.gz ULZFABBZCRSYCT-JYPHPWERSA-N 2 0 345.487 1.793 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)CCc3ncc[nH]3)C2)n1 ZINC000999035045 706449506 /nfs/dbraw/zinc/44/95/06/706449506.db2.gz KTNMPBMNSRFPCN-CYBMUJFWSA-N 2 0 333.461 1.888 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000999049178 706469504 /nfs/dbraw/zinc/46/95/04/706469504.db2.gz CTBUILHKMZWAOG-UHFFFAOYSA-N 2 0 346.450 1.928 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CCC[NH+]3CCC4)C2)c(C)o1 ZINC000999050093 706470771 /nfs/dbraw/zinc/47/07/71/706470771.db2.gz JKYMSVQOIZDLNF-UHFFFAOYSA-N 2 0 346.475 1.999 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]C[C@H]2CCOC2)C1 ZINC000999059799 706521063 /nfs/dbraw/zinc/52/10/63/706521063.db2.gz FDXKTDZJCAHCRT-IUDNXUCKSA-N 2 0 328.416 1.563 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)C1CC([NH2+]CCn2cccn2)C1 ZINC000999061199 706522826 /nfs/dbraw/zinc/52/28/26/706522826.db2.gz NZVNCOUSHHOUOE-UHFFFAOYSA-N 2 0 338.415 1.424 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000999144744 706558784 /nfs/dbraw/zinc/55/87/84/706558784.db2.gz NIWVFXNIMPMPOO-WBVHZDCISA-N 2 0 333.480 1.374 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999154337 706584672 /nfs/dbraw/zinc/58/46/72/706584672.db2.gz UHWYXIFNHJYLNS-MRXNPFEDSA-N 2 0 347.507 1.765 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)ncn1 ZINC000999344885 706856363 /nfs/dbraw/zinc/85/63/63/706856363.db2.gz VSIYVOYFGOTQDP-UHFFFAOYSA-N 2 0 331.464 1.206 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@H]([NH2+]C[C@@H](O)c3ccccc3)C2)CCC1 ZINC000999349240 706861481 /nfs/dbraw/zinc/86/14/81/706861481.db2.gz RYSHKPAUISBKRN-ZWKOTPCHSA-N 2 0 345.487 1.785 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999350744 706863152 /nfs/dbraw/zinc/86/31/52/706863152.db2.gz AUYFNHOLBXUCSM-IAGOWNOFSA-N 2 0 347.507 1.764 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999371024 706885113 /nfs/dbraw/zinc/88/51/13/706885113.db2.gz MPROKYNZFWAMON-WMZOPIPTSA-N 2 0 346.475 1.511 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]([NH2+]CC2CCOCC2)C1 ZINC000999404134 706913186 /nfs/dbraw/zinc/91/31/86/706913186.db2.gz ZESLZABSMWXHOI-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC000999404713 706913708 /nfs/dbraw/zinc/91/37/08/706913708.db2.gz ZHSBVHWQXGPQQC-NNGSBXSVSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nnsc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999432563 706940298 /nfs/dbraw/zinc/94/02/98/706940298.db2.gz HRGYUOMQJMESSH-HIFRSBDPSA-N 2 0 339.509 1.513 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999506223 707003601 /nfs/dbraw/zinc/00/36/01/707003601.db2.gz PDJNAGFXKGQFEY-LEOMRAHMSA-N 2 0 347.507 1.762 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000999507871 707005278 /nfs/dbraw/zinc/00/52/78/707005278.db2.gz FRODVZWNGMTIAL-KBPBESRZSA-N 2 0 337.493 1.411 20 0 EDADRP C[C@H]([NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1)c1cnccn1 ZINC000999509683 707007849 /nfs/dbraw/zinc/00/78/49/707007849.db2.gz QYESEEBUKUPXOF-OOHWJJMZSA-N 2 0 345.491 1.849 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2ccnc(N(C)C)c2)C1)[NH+](C)C ZINC000999489723 707025892 /nfs/dbraw/zinc/02/58/92/707025892.db2.gz MEUXNWSUYWXWJF-IAGOWNOFSA-N 2 0 347.507 1.568 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)n1 ZINC000999491533 707028146 /nfs/dbraw/zinc/02/81/46/707028146.db2.gz VMOZXERNVTYKMQ-KRWDZBQOSA-N 2 0 345.491 1.377 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000999709550 707302565 /nfs/dbraw/zinc/30/25/65/707302565.db2.gz VUVBCAQLAVHUOF-OAHLLOKOSA-N 2 0 338.415 1.462 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999791270 707362387 /nfs/dbraw/zinc/36/23/87/707362387.db2.gz JYSNSGATRFWFEY-AEFFLSMTSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999837556 707408519 /nfs/dbraw/zinc/40/85/19/707408519.db2.gz PMFMTXBFOMIJJP-NFOMZHRRSA-N 2 0 336.505 1.791 20 0 EDADRP C[C@@H]([NH2+]CC1CC1)[C@H]1CCCCN1C(=O)c1ccn(CC[NH+](C)C)n1 ZINC001004847886 707445982 /nfs/dbraw/zinc/44/59/82/707445982.db2.gz BBFAOCICYMJQOH-CRAIPNDOSA-N 2 0 347.507 1.828 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000999832279 707462725 /nfs/dbraw/zinc/46/27/25/707462725.db2.gz BURPCDWZLTZEKW-UHFFFAOYSA-N 2 0 332.448 1.265 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033319409 707497904 /nfs/dbraw/zinc/49/79/04/707497904.db2.gz PUCKQPLMWABXHC-SJORKVTESA-N 2 0 337.508 1.963 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)on1 ZINC000999871413 707514779 /nfs/dbraw/zinc/51/47/79/707514779.db2.gz KINWIOMUANTGCL-OAHLLOKOSA-N 2 0 334.464 1.938 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032731716 707734226 /nfs/dbraw/zinc/73/42/26/707734226.db2.gz PTXABDSKLIOLJA-SQNIBIBYSA-N 2 0 335.492 1.430 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CC(F)(F)C2)C1 ZINC001032732133 707736632 /nfs/dbraw/zinc/73/66/32/707736632.db2.gz XCRSWQBIFASOMY-SNPRPXQTSA-N 2 0 327.419 1.659 20 0 EDADRP CC1(C)CO[C@H](C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)C1 ZINC001032733634 707741676 /nfs/dbraw/zinc/74/16/76/707741676.db2.gz DUGDNEUNHZEWKO-JYJNAYRXSA-N 2 0 333.476 1.182 20 0 EDADRP Cc1ccncc1C[N@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033389593 707760401 /nfs/dbraw/zinc/76/04/01/707760401.db2.gz DDAKHZZGYAHUIW-GOSISDBHSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001000193800 707830127 /nfs/dbraw/zinc/83/01/27/707830127.db2.gz SEEQRBGTPYXZTJ-UKRRQHHQSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1ncc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)o1 ZINC001004988191 707844814 /nfs/dbraw/zinc/84/48/14/707844814.db2.gz APHFZYYVNINISB-RHSMWYFYSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004989617 707848814 /nfs/dbraw/zinc/84/88/14/707848814.db2.gz GFTMAOOHFYDOIS-WMZOPIPTSA-N 2 0 345.491 1.740 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1)OC ZINC001033427109 707850134 /nfs/dbraw/zinc/85/01/34/707850134.db2.gz XVBPAPDPVYDTKL-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033472474 707960641 /nfs/dbraw/zinc/96/06/41/707960641.db2.gz WNSDFAFOPBSEJZ-MSOLQXFVSA-N 2 0 347.507 1.679 20 0 EDADRP CN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033505308 707973833 /nfs/dbraw/zinc/97/38/33/707973833.db2.gz QFAKHGDNPPYXKR-IEBWSBKVSA-N 2 0 345.487 1.931 20 0 EDADRP CCc1noc([C@H](C)N2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC001005182075 708128112 /nfs/dbraw/zinc/12/81/12/708128112.db2.gz CJSOJZOPJWYXLN-DZGCQCFKSA-N 2 0 349.479 1.710 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001033546854 708175949 /nfs/dbraw/zinc/17/59/49/708175949.db2.gz GZLMRBIMTALYNS-NVXWUHKLSA-N 2 0 325.497 1.674 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033579994 708259998 /nfs/dbraw/zinc/25/99/98/708259998.db2.gz CCGADRPXIWZQJE-WMZOPIPTSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583329 708267482 /nfs/dbraw/zinc/26/74/82/708267482.db2.gz SYZNPZUGBHMBCQ-CABCVRRESA-N 2 0 336.505 1.826 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033591324 708288905 /nfs/dbraw/zinc/28/89/05/708288905.db2.gz AOALIKDZWPIYHC-GOSISDBHSA-N 2 0 349.519 1.822 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001824086 708326226 /nfs/dbraw/zinc/32/62/26/708326226.db2.gz BGPGLCHOXPGBMG-XJKSGUPXSA-N 2 0 334.464 1.509 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC2CC[NH+](CCC3CC3)CC2)cn1 ZINC001001926242 708433725 /nfs/dbraw/zinc/43/37/25/708433725.db2.gz XKICYMVDKUEPDQ-UHFFFAOYSA-N 2 0 347.507 1.687 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033666791 708452296 /nfs/dbraw/zinc/45/22/96/708452296.db2.gz ZJZDOKOVXSFXEY-IRXDYDNUSA-N 2 0 331.460 1.680 20 0 EDADRP Cc1ccc(OCC[N@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)cc1 ZINC001033660025 708472384 /nfs/dbraw/zinc/47/23/84/708472384.db2.gz GQAVLJWHJJIPDN-ROUUACIJSA-N 2 0 345.487 1.858 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033776395 708701616 /nfs/dbraw/zinc/70/16/16/708701616.db2.gz PLLPUGHOWPQFQC-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000921884235 708787165 /nfs/dbraw/zinc/78/71/65/708787165.db2.gz KDUOVFLCCSVAEE-FHLIZLRMSA-N 2 0 346.475 1.145 20 0 EDADRP CC[C@H](C[NH+]1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)OC ZINC001005400236 708887159 /nfs/dbraw/zinc/88/71/59/708887159.db2.gz ZUFOVRHMMAURHS-QZTJIDSGSA-N 2 0 337.508 1.676 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1C)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033878296 708948362 /nfs/dbraw/zinc/94/83/62/708948362.db2.gz IYCBBJNWYCHOIO-MRXNPFEDSA-N 2 0 330.432 1.562 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001033904012 709030814 /nfs/dbraw/zinc/03/08/14/709030814.db2.gz FMZMOZLIQKJSFD-NNVNDSJASA-N 2 0 347.503 1.573 20 0 EDADRP O=C(NC1CC[NH+](CCCF)CC1)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC001003009640 709795344 /nfs/dbraw/zinc/79/53/44/709795344.db2.gz YSURWOSJDYGQLZ-KRWDZBQOSA-N 2 0 341.471 1.570 20 0 EDADRP O=C(N[C@H]1CCCC[N@@H+](CCO)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001034361743 709876630 /nfs/dbraw/zinc/87/66/30/709876630.db2.gz RKOXFZDQKCBSLM-WMZOPIPTSA-N 2 0 337.508 1.747 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC001003158946 710067260 /nfs/dbraw/zinc/06/72/60/710067260.db2.gz KKXFMUPDXGAYKU-SFHVURJKSA-N 2 0 347.507 1.565 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[N@H+](CCC2CCOCC2)C1 ZINC001034528266 710182554 /nfs/dbraw/zinc/18/25/54/710182554.db2.gz LFUHUTWMIIFJNM-GOSISDBHSA-N 2 0 337.508 1.870 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034607070 710270258 /nfs/dbraw/zinc/27/02/58/710270258.db2.gz KELBNMXVFLZXRZ-AJNGGQMLSA-N 2 0 348.495 1.539 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)on1 ZINC001034648529 710325389 /nfs/dbraw/zinc/32/53/89/710325389.db2.gz KXBNZWHVEWNEKM-JFIYKMOQSA-N 2 0 346.475 1.842 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001034649013 710325540 /nfs/dbraw/zinc/32/55/40/710325540.db2.gz OXAJEPUXZMLCHM-OWYHZJEWSA-N 2 0 349.519 1.772 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034658263 710342757 /nfs/dbraw/zinc/34/27/57/710342757.db2.gz CWHGLQUPMMKWRP-BZUAXINKSA-N 2 0 348.495 1.207 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001003516833 710394256 /nfs/dbraw/zinc/39/42/56/710394256.db2.gz CHGCXTFYATXUHD-UHFFFAOYSA-N 2 0 349.475 1.962 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543921 710412059 /nfs/dbraw/zinc/41/20/59/710412059.db2.gz JSEUARYEAAFIOJ-UHFFFAOYSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001003630696 710459998 /nfs/dbraw/zinc/45/99/98/710459998.db2.gz NAUYASAKCIXKBL-MLGOLLRUSA-N 2 0 334.464 1.570 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1CC[NH+](CCOc2ccccc2)CC1 ZINC001003631179 710460432 /nfs/dbraw/zinc/46/04/32/710460432.db2.gz SIWAWLHGXAHEHK-VQIMIIECSA-N 2 0 345.487 1.844 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)n1 ZINC001003636124 710463007 /nfs/dbraw/zinc/46/30/07/710463007.db2.gz STQYNFLJWCZNHV-IFXJQAMLSA-N 2 0 344.503 1.977 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnon3)CC2)C1 ZINC001034661874 710593087 /nfs/dbraw/zinc/59/30/87/710593087.db2.gz KIJCVEASWIJOJK-JYJNAYRXSA-N 2 0 349.479 1.565 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC001034672684 710605683 /nfs/dbraw/zinc/60/56/83/710605683.db2.gz RGYCBLXCNUYUFN-JFIYKMOQSA-N 2 0 345.491 1.786 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](CCn3cccn3)CC2)CC1 ZINC001003838994 710667157 /nfs/dbraw/zinc/66/71/57/710667157.db2.gz LLNLASDSYCKNKA-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP COCC[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001005633571 710785499 /nfs/dbraw/zinc/78/54/99/710785499.db2.gz ZTZAIHWCTSBKIK-UHFFFAOYSA-N 2 0 330.432 1.826 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034720197 710886483 /nfs/dbraw/zinc/88/64/83/710886483.db2.gz AEOVQQOVURAWAE-WKILWMFISA-N 2 0 348.495 1.157 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC001034724887 710896703 /nfs/dbraw/zinc/89/67/03/710896703.db2.gz WMEGNNLLKSXRAV-WKILWMFISA-N 2 0 334.464 1.842 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cccnc3)CC2)C1 ZINC001034733853 710914390 /nfs/dbraw/zinc/91/43/90/710914390.db2.gz FEANYGPMDJXYMJ-SZMVWBNQSA-N 2 0 330.476 1.940 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)c(C)n1 ZINC001032967237 711026565 /nfs/dbraw/zinc/02/65/65/711026565.db2.gz HRFCQEVWPREKJF-ROUUACIJSA-N 2 0 330.476 1.825 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034790915 711103793 /nfs/dbraw/zinc/10/37/93/711103793.db2.gz BAOQSTPYHHCQER-JYJNAYRXSA-N 2 0 346.475 1.559 20 0 EDADRP COc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001034791921 711117535 /nfs/dbraw/zinc/11/75/35/711117535.db2.gz YJDCBAMDUVHFDC-BZUAXINKSA-N 2 0 346.475 1.559 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034792366 711119572 /nfs/dbraw/zinc/11/95/72/711119572.db2.gz HEYQXHQYMAFMQF-BRWVUGGUSA-N 2 0 347.507 1.933 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)Cc3cncn3C)CC2)C1 ZINC001003970520 711119893 /nfs/dbraw/zinc/11/98/93/711119893.db2.gz IXZUMTNPGXYEAM-UHFFFAOYSA-N 2 0 334.464 1.358 20 0 EDADRP CCn1nc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC001034793070 711121447 /nfs/dbraw/zinc/12/14/47/711121447.db2.gz QNLVQIAVIZGHKK-JYJNAYRXSA-N 2 0 348.495 1.075 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)n1 ZINC001034793770 711124614 /nfs/dbraw/zinc/12/46/14/711124614.db2.gz RFZBQHLKBKLMIX-IYARVYRRSA-N 2 0 347.507 1.613 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003968742 711145058 /nfs/dbraw/zinc/14/50/58/711145058.db2.gz TZKLKWOWQBTEBU-HNNXBMFYSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@@H](c1cnccn1)N1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003977852 711150522 /nfs/dbraw/zinc/15/05/22/711150522.db2.gz YTAVICUJZOGXDI-LSDHHAIUSA-N 2 0 331.464 1.460 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc2nonc2c1 ZINC001034885268 711289587 /nfs/dbraw/zinc/28/95/87/711289587.db2.gz RTVYCJNHSDPZIB-PBHICJAKSA-N 2 0 343.431 1.398 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(CO)ccc1F ZINC001034885548 711290328 /nfs/dbraw/zinc/29/03/28/711290328.db2.gz VYFPFNBGZZGZFD-SJLPKXTDSA-N 2 0 349.450 1.493 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnns1 ZINC001034955043 711421589 /nfs/dbraw/zinc/42/15/89/711421589.db2.gz ZBJHRRDHKYXPFR-UKRRQHHQSA-N 2 0 337.493 1.493 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2C[C@@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388047 711429613 /nfs/dbraw/zinc/42/96/13/711429613.db2.gz NTHQVAGPIRKPQF-JZGRTCEGSA-N 2 0 334.460 1.970 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001033123869 711852865 /nfs/dbraw/zinc/85/28/65/711852865.db2.gz SXRFURJYHUIAID-GXTWGEPZSA-N 2 0 325.478 1.337 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([C@H]3CCC[NH+]3Cc3cnon3)CC2)C1 ZINC001004616951 712076777 /nfs/dbraw/zinc/07/67/77/712076777.db2.gz NICLKFUQUPEJDO-DOTOQJQBSA-N 2 0 347.463 1.224 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@@H+]2Cc2ccon2)CC1 ZINC001004618380 712078773 /nfs/dbraw/zinc/07/87/73/712078773.db2.gz WBHLQEYIJOVYPD-SFHVURJKSA-N 2 0 346.475 1.973 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C(C)(C)C ZINC000458399914 282113410 /nfs/dbraw/zinc/11/34/10/282113410.db2.gz GIKGQEKVPXWVJK-JKSUJKDBSA-N 2 0 342.528 1.499 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000126940423 282129071 /nfs/dbraw/zinc/12/90/71/282129071.db2.gz WSQPHEYOGVQWAB-MJGOQNOKSA-N 2 0 348.491 1.263 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cnn(CC(F)(F)F)c2)CC1 ZINC000433118351 305100883 /nfs/dbraw/zinc/10/08/83/305100883.db2.gz RRXQUPXYKPIPAE-UHFFFAOYSA-N 2 0 333.358 1.587 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@@H]1CCC(=O)c2ccccc21 ZINC000559568504 306256467 /nfs/dbraw/zinc/25/64/67/306256467.db2.gz ZOCVWVBGZQKWLY-QGZVFWFLSA-N 2 0 331.460 1.699 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2CCCc3ccccc3CC2)C1=O ZINC000560074632 306260627 /nfs/dbraw/zinc/26/06/27/306260627.db2.gz GBFJZNHGBPVROQ-GOSISDBHSA-N 2 0 343.471 1.557 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000560549289 306274352 /nfs/dbraw/zinc/27/43/52/306274352.db2.gz XJMZXGTYHJONNQ-BRWVUGGUSA-N 2 0 343.537 1.511 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000561193823 306284304 /nfs/dbraw/zinc/28/43/04/306284304.db2.gz KOCMEAYSXLRHRX-BPQIPLTHSA-N 2 0 346.475 1.185 20 0 EDADRP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000349814562 539674322 /nfs/dbraw/zinc/67/43/22/539674322.db2.gz UKZZKIMENAYODE-UHFFFAOYSA-N 2 0 347.429 1.951 20 0 EDADRP COc1ccc([C@H]([NH2+]C[C@H](O)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000561402167 306287579 /nfs/dbraw/zinc/28/75/79/306287579.db2.gz FJAFHIIXQJVKRS-PKOBYXMFSA-N 2 0 333.476 1.344 20 0 EDADRP O=C1NC(=O)C2(CCC([NH2+]C3CC[NH+](C4CCCC4)CC3)CC2)N1 ZINC000561527618 306288915 /nfs/dbraw/zinc/28/89/15/306288915.db2.gz INPRJJLRNKQUSM-UHFFFAOYSA-N 2 0 334.464 1.504 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000342993909 539773017 /nfs/dbraw/zinc/77/30/17/539773017.db2.gz UIDKOQNVRYKJFM-OWCLPIDISA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000343015559 539776850 /nfs/dbraw/zinc/77/68/50/539776850.db2.gz POXYDHPHXUAXIY-JYJNAYRXSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000562638089 306303996 /nfs/dbraw/zinc/30/39/96/306303996.db2.gz KKGFGMDHTOPNAL-UHFFFAOYSA-N 2 0 347.507 1.440 20 0 EDADRP Cn1cc(C(=O)NC[C@@H]2[NH2+]CCCC2(C)C)c([C@H]2CCC[NH2+]C2)n1 ZINC000562809581 306310046 /nfs/dbraw/zinc/31/00/46/306310046.db2.gz CDUXCXIXJQGLJJ-ZFWWWQNUSA-N 2 0 333.480 1.395 20 0 EDADRP CCCN(C(=O)NCC1(SC)CC[NH+](C)CC1)[C@H]1CC[NH2+]C1 ZINC000418197159 283002246 /nfs/dbraw/zinc/00/22/46/283002246.db2.gz IYXVFUFGOPKIBH-AWEZNQCLSA-N 2 0 328.526 1.597 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000563134286 306319749 /nfs/dbraw/zinc/31/97/49/306319749.db2.gz XPCBCJKCQRRLKP-SLEUVZQESA-N 2 0 348.447 1.252 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CCC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000347808656 283086275 /nfs/dbraw/zinc/08/62/75/283086275.db2.gz ILVWZCRFOORGSG-FHWLQOOXSA-N 2 0 343.471 1.583 20 0 EDADRP CCCN(C(=O)NCC1([NH+]2CCCC2)CCOCC1)[C@@H]1CC[NH2+]C1 ZINC000563521507 306336980 /nfs/dbraw/zinc/33/69/80/306336980.db2.gz OTASFHUDAYUXDO-MRXNPFEDSA-N 2 0 338.496 1.415 20 0 EDADRP CC[C@H](C(=O)NC[C@@](C)(NC(=O)[C@@H](CC)[NH+](C)C)C(C)C)[NH+](C)C ZINC000413458289 304061264 /nfs/dbraw/zinc/06/12/64/304061264.db2.gz WBTASHNZNPXBHY-IIDMSEBBSA-N 2 0 342.528 1.314 20 0 EDADRP CCC[C@@H]1CN(C(=O)NCCC[NH2+]C(C)C)CC[N@@H+]1CCOC ZINC000563875526 306351017 /nfs/dbraw/zinc/35/10/17/306351017.db2.gz WKOFHKDTBUGCAZ-MRXNPFEDSA-N 2 0 328.501 1.517 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2nc(C(C)(C)C)cs2)CC1 ZINC000564721712 306363486 /nfs/dbraw/zinc/36/34/86/306363486.db2.gz CPKCVZVCIRPVHH-AWEZNQCLSA-N 2 0 340.537 1.181 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000333441532 283456000 /nfs/dbraw/zinc/45/60/00/283456000.db2.gz WCYXXAXASIOVOD-BBWFWOEESA-N 2 0 338.496 1.277 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000564831005 306365897 /nfs/dbraw/zinc/36/58/97/306365897.db2.gz YQUCEUBQKOCESN-HOCLYGCPSA-N 2 0 342.447 1.195 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+](CC(=O)NCC3CC3)CC2)C[C@H](C)O1 ZINC000177497158 237390038 /nfs/dbraw/zinc/39/00/38/237390038.db2.gz PVBMGQMITXJORU-IYBDPMFKSA-N 2 0 337.508 1.724 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000565294824 306380964 /nfs/dbraw/zinc/38/09/64/306380964.db2.gz UZZUWSFNZHTYQD-GJZGRUSLSA-N 2 0 338.496 1.162 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000414699523 304129501 /nfs/dbraw/zinc/12/95/01/304129501.db2.gz INYABKYKNFSKHZ-QGZVFWFLSA-N 2 0 346.475 1.711 20 0 EDADRP [NH3+]CCC1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000566352571 306410053 /nfs/dbraw/zinc/41/00/53/306410053.db2.gz SGISQFNDWCVEDD-DLBZAZTESA-N 2 0 338.496 1.135 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[NH+]1CCC(C)CC1 ZINC000414792251 304141408 /nfs/dbraw/zinc/14/14/08/304141408.db2.gz RJAOMYYBWXMKTC-AWEZNQCLSA-N 2 0 344.459 1.465 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000414799706 304142101 /nfs/dbraw/zinc/14/21/01/304142101.db2.gz YPXSVHCXIRNURJ-HNNXBMFYSA-N 2 0 346.475 1.581 20 0 EDADRP CC(C)c1ccc([C@H](N)C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414841599 304146931 /nfs/dbraw/zinc/14/69/31/304146931.db2.gz YIVMBUGONLUPEV-CRAIPNDOSA-N 3 0 332.492 1.597 20 0 EDADRP CC[C@H]([NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414989308 304148142 /nfs/dbraw/zinc/14/81/42/304148142.db2.gz MYWYZYNUJVLQFI-ZDUSSCGKSA-N 2 0 341.477 1.175 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@@H](C)[NH3+])CC2)cc1 ZINC000415023204 304151645 /nfs/dbraw/zinc/15/16/45/304151645.db2.gz WHPUQOYLSHPJOR-CHWSQXEVSA-N 2 0 341.477 1.174 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000415041787 304153739 /nfs/dbraw/zinc/15/37/39/304153739.db2.gz RRZZFOWLUHNLLX-MTYBJYJGSA-N 2 0 342.443 1.560 20 0 EDADRP C[C@@]1(C[NH2+]C2CCN(CC(=O)Nc3ccccc3)CC2)CC[NH2+]C1 ZINC000415089071 304158702 /nfs/dbraw/zinc/15/87/02/304158702.db2.gz XGGQHRIRWXKARC-LJQANCHMSA-N 2 0 330.476 1.679 20 0 EDADRP COc1ccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)cc1 ZINC000415106658 304160474 /nfs/dbraw/zinc/16/04/74/304160474.db2.gz OBZPILMSIDBINF-CVEARBPZSA-N 2 0 331.460 1.841 20 0 EDADRP COCCOc1cc2c(cc1CN1CC[C@@H](C)[C@@H](C[NH3+])C1)OCO2 ZINC000415127339 304161967 /nfs/dbraw/zinc/16/19/67/304161967.db2.gz MTSYFHCZRJMXKX-HIFRSBDPSA-N 2 0 336.432 1.857 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1)[NH+](C)C ZINC000106434864 204195106 /nfs/dbraw/zinc/19/51/06/204195106.db2.gz GEQIVFVQBGCQCJ-MRXNPFEDSA-N 2 0 348.447 1.681 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000106458684 204196208 /nfs/dbraw/zinc/19/62/08/204196208.db2.gz DHMGGZPBSCREFB-KRWDZBQOSA-N 2 0 333.480 1.036 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COc3cccc(C)c3)C2)CC1 ZINC000107371649 204235661 /nfs/dbraw/zinc/23/56/61/204235661.db2.gz BSIKOWDRFAWPPT-OALUTQOASA-N 2 0 347.503 1.447 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415155990 304166922 /nfs/dbraw/zinc/16/69/22/304166922.db2.gz WFPIXEQRXYRZEM-RHSMWYFYSA-N 2 0 346.475 1.533 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415159770 304168054 /nfs/dbraw/zinc/16/80/54/304168054.db2.gz GYTGDAJYYNXBLR-GOEBONIOSA-N 2 0 330.432 1.027 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000237197121 139043716 /nfs/dbraw/zinc/04/37/16/139043716.db2.gz BMJUJOOMMGJKGF-QGZVFWFLSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H](C[NH3+])c2ccccc2)c1 ZINC000237202664 139044148 /nfs/dbraw/zinc/04/41/48/139044148.db2.gz OOFVUJWXOMELSL-LJQANCHMSA-N 2 0 341.455 1.986 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]([NH3+])CCSC)[NH+](C)C)c1 ZINC000237303288 139047102 /nfs/dbraw/zinc/04/71/02/139047102.db2.gz DPARMAXHBPRPEW-LSDHHAIUSA-N 2 0 325.478 1.495 20 0 EDADRP CN(C(=O)C[NH2+]C[C@@H]1CCCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000237269403 139046105 /nfs/dbraw/zinc/04/61/05/139046105.db2.gz IHXNPCPVLXGADL-MOPGFXCFSA-N 2 0 345.487 1.878 20 0 EDADRP CC(=O)NC1CCC([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)CC1 ZINC000132486187 205328800 /nfs/dbraw/zinc/32/88/00/205328800.db2.gz KWHJTQOUDQPZSC-UHFFFAOYSA-N 2 0 345.491 1.370 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]([NH3+])C3CC3)CC2)c1 ZINC000237719309 139058616 /nfs/dbraw/zinc/05/86/16/139058616.db2.gz GAMRBOZVEFVHRF-SFHVURJKSA-N 2 0 330.476 1.361 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237901665 139063249 /nfs/dbraw/zinc/06/32/49/139063249.db2.gz PADCBKPCGICDQW-MSOLQXFVSA-N 2 0 331.460 1.536 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000237923209 139063928 /nfs/dbraw/zinc/06/39/28/139063928.db2.gz CDMQPYJTKCRZMX-GOSISDBHSA-N 2 0 331.460 1.490 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000567595791 306456186 /nfs/dbraw/zinc/45/61/86/306456186.db2.gz LZRFHHBHNUXTCN-INIZCTEOSA-N 2 0 336.480 1.167 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000238088421 139068553 /nfs/dbraw/zinc/06/85/53/139068553.db2.gz AHFHMLWXQHACHF-IRXDYDNUSA-N 2 0 333.501 1.862 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN([C@@H](C(=O)OC)c3ccccc3)C2)CC1 ZINC000245445296 139075165 /nfs/dbraw/zinc/07/51/65/139075165.db2.gz YSPAQKWJNNAVRC-ZWKOTPCHSA-N 2 0 331.460 1.613 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000157994152 206167116 /nfs/dbraw/zinc/16/71/16/206167116.db2.gz INVNAFAVHMYBKX-WMZOPIPTSA-N 2 0 330.476 1.442 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000415290092 304186854 /nfs/dbraw/zinc/18/68/54/304186854.db2.gz BQDUMBPCUNTPLO-GDBMZVCRSA-N 2 0 344.459 1.417 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000352080750 284649089 /nfs/dbraw/zinc/64/90/89/284649089.db2.gz BICLCAMXKODWSU-INIZCTEOSA-N 2 0 331.526 1.322 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415370779 304206559 /nfs/dbraw/zinc/20/65/59/304206559.db2.gz FHYQMYLTNGHDKQ-CABCVRRESA-N 2 0 346.475 1.711 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000417843998 284676627 /nfs/dbraw/zinc/67/66/27/284676627.db2.gz WDHZEJHWJIRMIU-RTBURBONSA-N 2 0 327.472 1.837 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000247573922 139152612 /nfs/dbraw/zinc/15/26/12/139152612.db2.gz XEGOLYOHBOKQQZ-CRAIPNDOSA-N 2 0 345.491 1.685 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247972058 139156466 /nfs/dbraw/zinc/15/64/66/139156466.db2.gz JSSVUQGICXASBI-NLWGTHIKSA-N 2 0 348.487 1.989 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000248732260 139173502 /nfs/dbraw/zinc/17/35/02/139173502.db2.gz LCFNJDSUBATKCP-GJZGRUSLSA-N 2 0 334.464 1.667 20 0 EDADRP CC[N@H+](CCO)CCN[C@@H]1CC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000249027286 139183290 /nfs/dbraw/zinc/18/32/90/139183290.db2.gz RUKRCUGSQGITLX-XUVXKRRUSA-N 2 0 331.504 1.801 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@H](C[NH3+])C3CC3)ccc21 ZINC000415447613 304220941 /nfs/dbraw/zinc/22/09/41/304220941.db2.gz HNNIFOQPBVJJEA-HZPDHXFCSA-N 2 0 330.432 1.028 20 0 EDADRP CCN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261562860 139209013 /nfs/dbraw/zinc/20/90/13/139209013.db2.gz WPQGGLIAFIAHDA-GOSISDBHSA-N 2 0 330.476 1.015 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(F)cc3cccnc32)C1 ZINC000261628062 139212573 /nfs/dbraw/zinc/21/25/73/139212573.db2.gz HBFHNGFLQCMUMM-AWEZNQCLSA-N 2 0 330.407 1.661 20 0 EDADRP CCC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH2+]CC1 ZINC000261638092 139213386 /nfs/dbraw/zinc/21/33/86/139213386.db2.gz DQLWBOSBYWGBFD-UHFFFAOYSA-N 2 0 339.505 1.901 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1cccc(OC)c1 ZINC000261640701 139213655 /nfs/dbraw/zinc/21/36/55/139213655.db2.gz DKFCIDXGHOYXIP-SQNIBIBYSA-N 2 0 349.475 1.701 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000261676590 139216634 /nfs/dbraw/zinc/21/66/34/139216634.db2.gz HQECONNBUBFANL-ZDUSSCGKSA-N 2 0 329.366 1.992 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000261740516 139222193 /nfs/dbraw/zinc/22/21/93/139222193.db2.gz IKLGIZCNFIJUOX-RIEGTJTDSA-N 2 0 340.265 1.737 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](Cc2cc(O)cc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000261721903 139220567 /nfs/dbraw/zinc/22/05/67/139220567.db2.gz QVNRTPHBZRENRH-DYVFJYSZSA-N 2 0 335.423 1.612 20 0 EDADRP FC(F)(F)c1nnc(N2CC[NH+](CC3CC[NH2+]CC3)CC2)s1 ZINC000261773926 139224851 /nfs/dbraw/zinc/22/48/51/139224851.db2.gz DWVCHAVPJNYLKM-UHFFFAOYSA-N 2 0 335.399 1.679 20 0 EDADRP C[N@H+](CCN1CCN(C[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000261899386 139235084 /nfs/dbraw/zinc/23/50/84/139235084.db2.gz VROSAVHTTKEOHR-HXUWFJFHSA-N 2 0 330.520 1.736 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccsc2)C1 ZINC000261991153 139242357 /nfs/dbraw/zinc/24/23/57/139242357.db2.gz SHZBYGNVQGNWCO-LBPRGKRZSA-N 2 0 333.461 1.425 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000262023212 139244486 /nfs/dbraw/zinc/24/44/86/139244486.db2.gz ZFOVZEBHVSNSFD-XHDPSFHLSA-N 2 0 340.265 1.820 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000262128279 139253245 /nfs/dbraw/zinc/25/32/45/139253245.db2.gz CVCMPDKVMKUNJS-QKLQHJQFSA-N 2 0 349.519 1.996 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000174509052 207024360 /nfs/dbraw/zinc/02/43/60/207024360.db2.gz RORFGIBTRICQKP-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000262137122 139254074 /nfs/dbraw/zinc/25/40/74/139254074.db2.gz OXOCSPDPTJDPSQ-HUBLWGQQSA-N 2 0 325.840 1.535 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000415571569 304228065 /nfs/dbraw/zinc/22/80/65/304228065.db2.gz MSRWGAPRPZEAAN-GOEBONIOSA-N 2 0 346.475 1.663 20 0 EDADRP [NH3+]CC1(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CCOCC1 ZINC000262261338 139264491 /nfs/dbraw/zinc/26/44/91/139264491.db2.gz MFUSGRQKNHUBCN-UHFFFAOYSA-N 2 0 349.450 1.662 20 0 EDADRP COc1ccc(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262247311 139263290 /nfs/dbraw/zinc/26/32/90/139263290.db2.gz PRZVVVUPRKARCP-PKOBYXMFSA-N 2 0 345.487 1.818 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2NCCO[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000262266167 139264959 /nfs/dbraw/zinc/26/49/59/139264959.db2.gz MPEJKPNCIHSLTP-RWQQGDIJSA-N 2 0 345.487 1.875 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000416875139 251116459 /nfs/dbraw/zinc/11/64/59/251116459.db2.gz QGAQWEPSGQXDFY-ZWKOTPCHSA-N 2 0 330.476 1.999 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+](CCOc2ccccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000262297537 139267718 /nfs/dbraw/zinc/26/77/18/139267718.db2.gz WZAVURFDPYURML-NVXWUHKLSA-N 2 0 349.450 1.785 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000262301292 139268031 /nfs/dbraw/zinc/26/80/31/139268031.db2.gz KRCJQQGGZQDYJR-KRWDZBQOSA-N 2 0 325.497 1.903 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CCCO[C@H](C[NH3+])C1)C1CCCCC1 ZINC000417005079 251127112 /nfs/dbraw/zinc/12/71/12/251127112.db2.gz CUSHXEKVIOAZPC-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC[C@H]1CCC[NH2+]1 ZINC000417014258 251133095 /nfs/dbraw/zinc/13/30/95/251133095.db2.gz CZAZCXPONKSADY-GOSISDBHSA-N 2 0 330.476 1.876 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000416996693 251122997 /nfs/dbraw/zinc/12/29/97/251122997.db2.gz UUYCULNXNVJCKE-GJZGRUSLSA-N 2 0 336.480 1.942 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)NCCCN2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000417221003 251148410 /nfs/dbraw/zinc/14/84/10/251148410.db2.gz ZKWSQTXLVVNZKP-WMZOPIPTSA-N 2 0 339.528 1.091 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1ccco1 ZINC000417308739 251153718 /nfs/dbraw/zinc/15/37/18/251153718.db2.gz IATAOWPDKWCHNE-BZUAXINKSA-N 2 0 334.464 1.913 20 0 EDADRP C[C@@H](NC(=O)N(C)CC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417422548 251167980 /nfs/dbraw/zinc/16/79/80/251167980.db2.gz PBXUBVNRVWYZBH-CYBMUJFWSA-N 2 0 337.443 1.239 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)[C@@H](C)C2C[NH2+]C2)cc1 ZINC000262349052 139272250 /nfs/dbraw/zinc/27/22/50/139272250.db2.gz ITMRXCHAPUEZKA-HNNXBMFYSA-N 2 0 333.476 1.879 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000262352882 139272404 /nfs/dbraw/zinc/27/24/04/139272404.db2.gz JIJMDROMAHYKQP-ROUUACIJSA-N 2 0 331.460 1.536 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)NCCN2CCOCC2(C)C)cc1 ZINC000417498433 251181452 /nfs/dbraw/zinc/18/14/52/251181452.db2.gz DPCCDWIWHOZFDU-AWEZNQCLSA-N 2 0 334.464 1.616 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000417535429 251185649 /nfs/dbraw/zinc/18/56/49/251185649.db2.gz BYNBEUZMZXJGPZ-OAHLLOKOSA-N 2 0 340.512 1.565 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417437508 251172841 /nfs/dbraw/zinc/17/28/41/251172841.db2.gz HHEHBIVJLQHOFV-GOEBONIOSA-N 2 0 326.485 1.304 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417579525 251195930 /nfs/dbraw/zinc/19/59/30/251195930.db2.gz AUYLZPCCMCHSTI-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH2+]CCCNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417597996 251203986 /nfs/dbraw/zinc/20/39/86/251203986.db2.gz WNDZZKQDUJBAFS-UHFFFAOYSA-N 2 0 334.464 1.570 20 0 EDADRP COCC1(C(=O)NCCCC[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000262391708 139275596 /nfs/dbraw/zinc/27/55/96/139275596.db2.gz PQQXYBQNFKDEJX-UHFFFAOYSA-N 2 0 325.497 1.631 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)ccc1F ZINC000417657705 251216242 /nfs/dbraw/zinc/21/62/42/251216242.db2.gz HXIRUNRIRHCWTO-HNNXBMFYSA-N 2 0 338.427 1.147 20 0 EDADRP COC[C@H]([NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000262395494 139275935 /nfs/dbraw/zinc/27/59/35/139275935.db2.gz ZEYVFIQYKWWMJG-OKZBNKHCSA-N 2 0 331.460 1.473 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000417687032 251229916 /nfs/dbraw/zinc/22/99/16/251229916.db2.gz UXOQYIXINUSQFS-YQQAZPJKSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000417828516 251286004 /nfs/dbraw/zinc/28/60/04/251286004.db2.gz QHDYIKJPONPKMC-GDBMZVCRSA-N 2 0 336.455 1.884 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417830954 251288756 /nfs/dbraw/zinc/28/87/56/251288756.db2.gz BWJTYLHTDFUIGB-INIZCTEOSA-N 2 0 340.512 1.424 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417804925 251276960 /nfs/dbraw/zinc/27/69/60/251276960.db2.gz GWZXPINXFCWPBW-HUUCEWRRSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000417813893 251280544 /nfs/dbraw/zinc/28/05/44/251280544.db2.gz AMTBHWDDTPBSHW-YSHGAJCASA-N 2 0 342.487 1.758 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000417822089 251285209 /nfs/dbraw/zinc/28/52/09/251285209.db2.gz JBWYMPSCTMGAMP-ZWKOTPCHSA-N 2 0 348.466 1.945 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@@H]12 ZINC000418106146 251322649 /nfs/dbraw/zinc/32/26/49/251322649.db2.gz MQTCUSBPNLVASB-NCXUSEDFSA-N 2 0 342.487 1.887 20 0 EDADRP CC(C)([NH3+])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417858670 251300993 /nfs/dbraw/zinc/30/09/93/251300993.db2.gz ZLLWEWOWKDMROW-UHFFFAOYSA-N 2 0 326.485 1.306 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCO[C@@H](C[NH3+])C1)C1CC1 ZINC000418152970 251345843 /nfs/dbraw/zinc/34/58/43/251345843.db2.gz UKRMDKZBAIIVGY-ROUUACIJSA-N 2 0 346.475 1.266 20 0 EDADRP [NH3+]CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000418159536 251348622 /nfs/dbraw/zinc/34/86/22/251348622.db2.gz RDQUNWZDFSKRHY-RBUKOAKNSA-N 2 0 338.455 1.913 20 0 EDADRP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CCN1C(=O)NCC[NH3+] ZINC000418305519 251358545 /nfs/dbraw/zinc/35/85/45/251358545.db2.gz OKTNCDLFBVFOKW-WMLDXEAASA-N 2 0 333.480 1.591 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000262562661 139286838 /nfs/dbraw/zinc/28/68/38/139286838.db2.gz AKWZPVIUPKQCTQ-INIZCTEOSA-N 2 0 330.476 1.163 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000262587732 139288543 /nfs/dbraw/zinc/28/85/43/139288543.db2.gz AIJLRZVCXYMDGC-AEFFLSMTSA-N 2 0 343.475 1.435 20 0 EDADRP [NH3+]CC(=O)NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000262632409 139291564 /nfs/dbraw/zinc/29/15/64/139291564.db2.gz FZQZCHRDCUUPQD-UHFFFAOYSA-N 2 0 344.381 1.292 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262635503 139291812 /nfs/dbraw/zinc/29/18/12/139291812.db2.gz HGBBGZXTRCWJGX-HOTGVXAUSA-N 2 0 346.475 1.379 20 0 EDADRP O=C([C@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636698 139291957 /nfs/dbraw/zinc/29/19/57/139291957.db2.gz ONJWMVZOCSLKMO-FGTMMUONSA-N 2 0 329.444 1.240 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000262638670 139292199 /nfs/dbraw/zinc/29/21/99/139292199.db2.gz JETMZSKZINLCEO-DLBZAZTESA-N 2 0 331.460 1.957 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000262640713 139292387 /nfs/dbraw/zinc/29/23/87/139292387.db2.gz KFNXNFYKBRUPAG-QGZVFWFLSA-N 2 0 333.476 1.633 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262841812 139307210 /nfs/dbraw/zinc/30/72/10/139307210.db2.gz RIDURLGQCQIULO-AEFFLSMTSA-N 2 0 341.459 1.840 20 0 EDADRP COc1cc(OC)c(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H](C)[NH3+])c(OC)c1 ZINC000422883618 252009977 /nfs/dbraw/zinc/00/99/77/252009977.db2.gz CNLJPSUNMGCJRC-UHOFOFEASA-N 2 0 338.448 1.597 20 0 EDADRP C[C@H]([NH2+]C1CCC(C(=O)N2CCSCC2)CC1)[C@H]1CCC[NH2+]1 ZINC000422879271 252010731 /nfs/dbraw/zinc/01/07/31/252010731.db2.gz MAZHRQMWDCEMQR-SLTXQBBLSA-N 2 0 325.522 1.851 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422897161 252015005 /nfs/dbraw/zinc/01/50/05/252015005.db2.gz JFNBAENDGCEGHG-XUVXKRRUSA-N 3 0 347.503 1.874 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)COc1ccc2c(c1)OCO2 ZINC000422902657 252017013 /nfs/dbraw/zinc/01/70/13/252017013.db2.gz UXJHHJVNDTXOMY-XLNGHYISSA-N 2 0 348.443 1.665 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000422839160 251996713 /nfs/dbraw/zinc/99/67/13/251996713.db2.gz PQIHGAWIBOQDCN-SJORKVTESA-N 2 0 325.497 1.628 20 0 EDADRP CCS(=O)(=O)N(C)CCC[NH2+][C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422862304 252003253 /nfs/dbraw/zinc/00/32/53/252003253.db2.gz PUCPJJRFHGZQRK-GOEBONIOSA-N 2 0 327.494 1.206 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCc2scnc2C)CC[NH2+]CC1 ZINC000423152554 252037653 /nfs/dbraw/zinc/03/76/53/252037653.db2.gz LTIYCEPYQWCDCB-CYBMUJFWSA-N 2 0 325.478 1.905 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000423319879 252046287 /nfs/dbraw/zinc/04/62/87/252046287.db2.gz FOEJDEYMDSPOET-UHFFFAOYSA-N 2 0 344.463 1.399 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)c2cn(CCCC[NH3+])nn2)([NH+](C)C)C1 ZINC000423353242 252050408 /nfs/dbraw/zinc/05/04/08/252050408.db2.gz LKTYXJDAIHBPHY-YOEHRIQHSA-N 2 0 336.484 1.257 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423354023 252050541 /nfs/dbraw/zinc/05/05/41/252050541.db2.gz MOESZUCJHPDASO-OAHLLOKOSA-N 2 0 333.480 1.729 20 0 EDADRP CCCCN1CCOC[C@H]1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000423670184 252066676 /nfs/dbraw/zinc/06/66/76/252066676.db2.gz LXTXZAFTOGZMOS-MSOLQXFVSA-N 2 0 331.460 1.491 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@@H](C)CCC[NH3+])cc1 ZINC000422906814 252018880 /nfs/dbraw/zinc/01/88/80/252018880.db2.gz VUBDMLDIHBSDIE-AWEZNQCLSA-N 2 0 327.494 1.933 20 0 EDADRP Nc1cccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)c1 ZINC000424034561 252122041 /nfs/dbraw/zinc/12/20/41/252122041.db2.gz COFSHCWFWRYLLF-UHFFFAOYSA-N 2 0 338.455 1.992 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000424144836 252143524 /nfs/dbraw/zinc/14/35/24/252143524.db2.gz MEEMQWJLYVVLJL-HNNXBMFYSA-N 2 0 334.468 1.054 20 0 EDADRP [NH3+][C@H](CCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000424161028 252149004 /nfs/dbraw/zinc/14/90/04/252149004.db2.gz BDYPSGVORMKJMH-MSOLQXFVSA-N 2 0 336.524 1.570 20 0 EDADRP O=C(CCOC1C[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424218776 252167081 /nfs/dbraw/zinc/16/70/81/252167081.db2.gz WYEYTPYKGYWRHG-FUHWJXTLSA-N 2 0 329.444 1.098 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424136357 252137970 /nfs/dbraw/zinc/13/79/70/252137970.db2.gz AKEMSPQAQZXUFL-HOTGVXAUSA-N 2 0 345.491 1.681 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424225967 252171693 /nfs/dbraw/zinc/17/16/93/252171693.db2.gz QVSINKDHKSCFND-DOTOQJQBSA-N 2 0 331.464 1.284 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)C[NH+]2CCCC2)c1 ZINC000424466505 252240150 /nfs/dbraw/zinc/24/01/50/252240150.db2.gz LLVLAOYAODDMFZ-UHFFFAOYSA-N 2 0 346.475 1.630 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475022 252244884 /nfs/dbraw/zinc/24/48/84/252244884.db2.gz YJOBUWOBBMBQOG-CQSZACIVSA-N 2 0 334.464 1.629 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000415630096 304242764 /nfs/dbraw/zinc/24/27/64/304242764.db2.gz JYSUYBQRLKZJKH-IYBDPMFKSA-N 2 0 344.459 1.082 20 0 EDADRP [NH3+]C1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCCC1 ZINC000263280798 139332916 /nfs/dbraw/zinc/33/29/16/139332916.db2.gz RYNDVTFYOHCDAI-UHFFFAOYSA-N 2 0 330.476 1.586 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cccnc1 ZINC000263853666 139364773 /nfs/dbraw/zinc/36/47/73/139364773.db2.gz ZHJKKXYQICCLIV-QZEKMECESA-N 2 0 330.476 1.969 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1occ2c1CCOC2 ZINC000375714869 285250335 /nfs/dbraw/zinc/25/03/35/285250335.db2.gz RYICGEZZARKUFJ-MRXNPFEDSA-N 2 0 349.475 1.840 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCCC3)C1 ZINC000493974566 255229288 /nfs/dbraw/zinc/22/92/88/255229288.db2.gz BRXMUWDHPNJJES-WCXIOVBPSA-N 2 0 335.492 1.511 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000494556142 255253387 /nfs/dbraw/zinc/25/33/87/255253387.db2.gz TUYHHARTQUFGJL-ARFHVFGLSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494673652 255257299 /nfs/dbraw/zinc/25/72/99/255257299.db2.gz RLVWBMZRWWOYCP-INIZCTEOSA-N 2 0 348.491 1.903 20 0 EDADRP CN(C[C@H](O)C[NH+]1CCC(C[NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000496231829 255367425 /nfs/dbraw/zinc/36/74/25/255367425.db2.gz ZXCYFLRECRSVQK-HNNXBMFYSA-N 2 0 329.485 1.488 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000496239701 255369060 /nfs/dbraw/zinc/36/90/60/255369060.db2.gz QCNDBVVUOJJOJY-OAGGEKHMSA-N 2 0 341.496 1.869 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCOCC1 ZINC000345756215 285280363 /nfs/dbraw/zinc/28/03/63/285280363.db2.gz ABLLZALOAPGVIB-IRXDYDNUSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NC[C@H](C2CC2)[NH+](C)C)cc1 ZINC000118100763 221116623 /nfs/dbraw/zinc/11/66/23/221116623.db2.gz JZEJYIPHBHOPEI-QGZVFWFLSA-N 2 0 346.475 1.186 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000357107394 285314939 /nfs/dbraw/zinc/31/49/39/285314939.db2.gz FBCAPYHCFXQVOO-QZTJIDSGSA-N 2 0 338.540 1.498 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000570641656 306547367 /nfs/dbraw/zinc/54/73/67/306547367.db2.gz WJCZLLBZKFTCPG-SFHVURJKSA-N 2 0 344.503 1.428 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000570668457 306547692 /nfs/dbraw/zinc/54/76/92/306547692.db2.gz XTEAZECFIIZAFX-MNEFBYGVSA-N 2 0 345.487 1.910 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@H](C)CC[NH3+])c(C)c2)CC1 ZINC000414752842 285338461 /nfs/dbraw/zinc/33/84/61/285338461.db2.gz PLMRNUXBHZASTF-OAHLLOKOSA-N 2 0 333.480 1.996 20 0 EDADRP COC[C@H](C)[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000120303406 285340095 /nfs/dbraw/zinc/34/00/95/285340095.db2.gz DVCJXRLQZLXSEN-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000271159527 140248522 /nfs/dbraw/zinc/24/85/22/140248522.db2.gz WAXYAOZWQILZMW-IRXDYDNUSA-N 2 0 345.487 1.518 20 0 EDADRP C[N@@H+]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000271393866 140290021 /nfs/dbraw/zinc/29/00/21/140290021.db2.gz DAFXGPOBFOIFSU-UHFFFAOYSA-N 2 0 331.464 1.645 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271815896 140355445 /nfs/dbraw/zinc/35/54/45/140355445.db2.gz MAIGSJOIRPLSDW-UHFFFAOYSA-N 2 0 334.464 1.803 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416302442 304306461 /nfs/dbraw/zinc/30/64/61/304306461.db2.gz GCWJHLQCKLDNDR-JFIYKMOQSA-N 2 0 333.476 1.593 20 0 EDADRP Cc1cn2c(n1)[C@H](CNC(=O)N1CC[C@H]3CC[N@@H+](C)C[C@H]31)CCC2 ZINC000332852838 141241166 /nfs/dbraw/zinc/24/11/66/141241166.db2.gz XQPIOBWRAYOVTN-OWCLPIDISA-N 2 0 331.464 1.805 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000333166694 141274878 /nfs/dbraw/zinc/27/48/78/141274878.db2.gz HMAUMAYIWNNYLV-MJQMVNBJSA-N 2 0 335.492 1.511 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000333356094 141304767 /nfs/dbraw/zinc/30/47/67/141304767.db2.gz KICZKCHLAQRJMB-RANZSIQMSA-N 2 0 330.476 1.853 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)C[C@@H]12 ZINC000333540806 141333913 /nfs/dbraw/zinc/33/39/13/141333913.db2.gz JFKABAICZAXOLX-KBAYOESNSA-N 2 0 343.475 1.677 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000333660426 141351861 /nfs/dbraw/zinc/35/18/61/141351861.db2.gz LMAANGNMDZYWFW-JSSFPYSZSA-N 2 0 348.466 1.911 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000333767754 141376749 /nfs/dbraw/zinc/37/67/49/141376749.db2.gz BMXPRFMMYROKDL-WBVHZDCISA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000333805441 141384893 /nfs/dbraw/zinc/38/48/93/141384893.db2.gz OSGAAGHHWFFCOT-FDPIWHGQSA-N 2 0 342.487 1.812 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000336875209 141470410 /nfs/dbraw/zinc/47/04/10/141470410.db2.gz CDFKMJWAXXXUIF-SJORKVTESA-N 3 0 326.529 1.626 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)C1CC[NH+](C2CC2)CC1 ZINC000338842465 141894665 /nfs/dbraw/zinc/89/46/65/141894665.db2.gz XMVDRKQZOKQYFJ-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](CC3CC3)CC2)C1 ZINC000339562949 142078081 /nfs/dbraw/zinc/07/80/81/142078081.db2.gz PEILYAVIHKSVIE-KRWDZBQOSA-N 2 0 338.496 1.080 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3cc(S(N)(=O)=O)ccc32)C1 ZINC000340188150 142296587 /nfs/dbraw/zinc/29/65/87/142296587.db2.gz HEIWKSDKPZHLAN-GUYCJALGSA-N 2 0 337.489 1.643 20 0 EDADRP CO[C@@H]1CCCC[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000340283590 142329475 /nfs/dbraw/zinc/32/94/75/142329475.db2.gz LUMYHXNVUYLMEM-IAGOWNOFSA-N 2 0 327.513 1.924 20 0 EDADRP Cn1ccnc1CNC(=O)c1cnn(-c2ccncc2)c1C(F)F ZINC000345897999 143144553 /nfs/dbraw/zinc/14/45/53/143144553.db2.gz ZVFXGSLQEVSVAQ-UHFFFAOYSA-N 2 0 332.314 1.868 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000346155174 143173393 /nfs/dbraw/zinc/17/33/93/143173393.db2.gz RZYPMRKUTXSPAC-KRWDZBQOSA-N 2 0 344.503 1.600 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346224721 143180620 /nfs/dbraw/zinc/18/06/20/143180620.db2.gz QIXPFTBCCKCPBU-QGZVFWFLSA-N 2 0 329.448 1.464 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000346280559 143186487 /nfs/dbraw/zinc/18/64/87/143186487.db2.gz JJSLVVIGZXZAJS-IAGOWNOFSA-N 3 0 345.491 1.227 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@@H](C)C1 ZINC000346575927 143218071 /nfs/dbraw/zinc/21/80/71/143218071.db2.gz VKUHJCNJGHYYFW-OKYOBFRVSA-N 2 0 339.524 1.576 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](C/C=C/C[N@H+]2CC[C@H](C(=O)OC)[C@@H]2C)[C@H]1C ZINC000346668245 143229165 /nfs/dbraw/zinc/22/91/65/143229165.db2.gz IERDFFNWNAJCDZ-QEKYSWFISA-N 2 0 338.448 1.309 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000346960483 143266288 /nfs/dbraw/zinc/26/62/88/143266288.db2.gz HUIZSHWURBNNRQ-CABCVRRESA-N 2 0 325.497 1.865 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000346982041 143268347 /nfs/dbraw/zinc/26/83/47/143268347.db2.gz FOIQLDAQOADAKF-SFHVURJKSA-N 2 0 346.475 1.065 20 0 EDADRP COc1ccccc1/C=C/C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347227836 143297617 /nfs/dbraw/zinc/29/76/17/143297617.db2.gz WMWXGDBPVCMEQN-UKTKYZJWSA-N 2 0 343.471 1.852 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000347665968 143347199 /nfs/dbraw/zinc/34/71/99/143347199.db2.gz ABAWPJHTQHBKGK-HZPDHXFCSA-N 2 0 343.475 1.142 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347695672 143350929 /nfs/dbraw/zinc/35/09/29/143350929.db2.gz CJCRYZPAOGNMFD-KURKYZTESA-N 2 0 339.524 1.829 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000347718897 143354016 /nfs/dbraw/zinc/35/40/16/143354016.db2.gz ASQLMYBWAYXTCG-SJORKVTESA-N 2 0 349.475 1.891 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[N@H+](C)CC[C@H]2C)CC1 ZINC000355418736 292168378 /nfs/dbraw/zinc/16/83/78/292168378.db2.gz LGQAUOHFESZBQO-OAHLLOKOSA-N 2 0 340.512 1.611 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416819354 304349879 /nfs/dbraw/zinc/34/98/79/304349879.db2.gz RWTLVJXTMZXJRM-HZPDHXFCSA-N 2 0 349.479 1.009 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000416845419 304351287 /nfs/dbraw/zinc/35/12/87/304351287.db2.gz RSAPHKYCVUMQFO-KZNAEPCWSA-N 2 0 328.460 1.512 20 0 EDADRP Cc1nn(-c2ccccc2)cc1CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000352691670 149118671 /nfs/dbraw/zinc/11/86/71/149118671.db2.gz NAANIBCRGSEPHE-LJQANCHMSA-N 2 0 325.460 1.660 20 0 EDADRP CN(c1ccccc1C[NH2+]CCOCC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000354184655 149689945 /nfs/dbraw/zinc/68/99/45/149689945.db2.gz DFMBLFAVAUIXMC-UHFFFAOYSA-N 3 0 348.535 1.885 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)C1 ZINC000416973922 304358781 /nfs/dbraw/zinc/35/87/81/304358781.db2.gz KEVOWACEVQAZTD-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NCc2cccc(OCC[NH+](C)C)c2)[C@@H]1C ZINC000416976013 304359356 /nfs/dbraw/zinc/35/93/56/304359356.db2.gz PIEZTDMLIOUILQ-HUUCEWRRSA-N 2 0 334.464 1.519 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H]2C[C@H](F)CN2Cc2nccn2C)CC1 ZINC000354861004 150000572 /nfs/dbraw/zinc/00/05/72/150000572.db2.gz FZVWXOFSYMZIGC-RDJZCZTQSA-N 3 0 337.487 1.795 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC2(C)CC[NH2+]CC2)c1 ZINC000416980118 304360590 /nfs/dbraw/zinc/36/05/90/304360590.db2.gz YDQDVCJGUNJSRQ-UHFFFAOYSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[NH+]1CCC(CCCO)CC1)c1ccccc1 ZINC000355050746 150092513 /nfs/dbraw/zinc/09/25/13/150092513.db2.gz HMDABZMDSPAMLM-IBGZPJMESA-N 2 0 347.503 1.890 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1C[C@@H]2CC[NH2+]C[C@H]2C1 ZINC000417038032 304364404 /nfs/dbraw/zinc/36/44/04/304364404.db2.gz UHWNQLVJEVQEAU-OALUTQOASA-N 2 0 342.487 1.686 20 0 EDADRP COC[C@@]1(CNC(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417045075 304365770 /nfs/dbraw/zinc/36/57/70/304365770.db2.gz YUXAAEFUICQXQN-JZXOWHBKSA-N 2 0 340.512 1.422 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)CC[NH3+])CC2)c1 ZINC000417056531 304367396 /nfs/dbraw/zinc/36/73/96/304367396.db2.gz ZXVDSQFDRCBSAI-KRWDZBQOSA-N 2 0 347.507 1.544 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000358132697 151283104 /nfs/dbraw/zinc/28/31/04/151283104.db2.gz ODOALTBNAMQAQL-HOTGVXAUSA-N 2 0 340.512 1.166 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2CC[NH+](C)[C@@H]2C1)Cc1ccc(F)cc1 ZINC000360437991 152043280 /nfs/dbraw/zinc/04/32/80/152043280.db2.gz UVJFXUOEVCXVCR-FUHWJXTLSA-N 2 0 348.466 1.993 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(C)(C)O)CC1 ZINC000360449427 152048424 /nfs/dbraw/zinc/04/84/24/152048424.db2.gz RYXLQCSFRQWSJR-UHFFFAOYSA-N 2 0 327.513 1.563 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N3CC[C@]4(CC[NH2+]C4)C3)C2=O)c1 ZINC000360549966 152091181 /nfs/dbraw/zinc/09/11/81/152091181.db2.gz HKJQXQUZAMZYMD-HKUYNNGSSA-N 2 0 345.443 1.495 20 0 EDADRP C[N@H+]1[C@@H]2CC[C@H]1CC(CNC(=O)N1CC[C@@H]3[C@H](CCC[NH+]3C)C1)C2 ZINC000360571882 152102402 /nfs/dbraw/zinc/10/24/02/152102402.db2.gz RMEIFIKSPDSAKT-JRACIQGZSA-N 2 0 334.508 1.985 20 0 EDADRP CSC1(CNC(=O)NCCNc2cc[nH+]cc2)CC[NH+](C)CC1 ZINC000360696476 152157180 /nfs/dbraw/zinc/15/71/80/152157180.db2.gz RVEFZZKGAUWXQO-UHFFFAOYSA-N 2 0 337.493 1.042 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000360964405 152265473 /nfs/dbraw/zinc/26/54/73/152265473.db2.gz RFFVJZSKJISODZ-ZDUSSCGKSA-N 2 0 329.439 1.721 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361007564 152276419 /nfs/dbraw/zinc/27/64/19/152276419.db2.gz GVVISRHOEBXXKH-GOSISDBHSA-N 2 0 345.487 1.731 20 0 EDADRP CN1CCN(C(=O)CC[NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000361129595 152315327 /nfs/dbraw/zinc/31/53/27/152315327.db2.gz WHJIGODCJONSMB-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000417149336 304377965 /nfs/dbraw/zinc/37/79/65/304377965.db2.gz FCQIJPGYLPGCCF-AWEZNQCLSA-N 2 0 334.439 1.793 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCOCC2(C)C)[C@H](C)C1 ZINC000361164611 152324328 /nfs/dbraw/zinc/32/43/28/152324328.db2.gz RKEADWZAODFQFJ-MSOLQXFVSA-N 2 0 341.540 1.824 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@H]3C[NH+]4CCC3CC4)c2)CC1 ZINC000361269703 152350117 /nfs/dbraw/zinc/35/01/17/152350117.db2.gz YUPFJXOROLUBIV-IBGZPJMESA-N 2 0 342.487 1.714 20 0 EDADRP C[NH2+]CCNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000417150663 304378140 /nfs/dbraw/zinc/37/81/40/304378140.db2.gz FWUJJHREHHVLCN-UHFFFAOYSA-N 2 0 347.507 1.103 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccc(F)cc3)CC2)C1 ZINC000417158252 304379195 /nfs/dbraw/zinc/37/91/95/304379195.db2.gz NWGBKIVHDYQAHS-OAHLLOKOSA-N 2 0 334.439 1.780 20 0 EDADRP COCC1(CNC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC[NH2+]CC1 ZINC000417162370 304379488 /nfs/dbraw/zinc/37/94/88/304379488.db2.gz RDFWOBLSFVZGDX-OAHLLOKOSA-N 2 0 326.485 1.034 20 0 EDADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000574163866 306644279 /nfs/dbraw/zinc/64/42/79/306644279.db2.gz CQQIMVCPKYDRRI-UHFFFAOYSA-N 2 0 349.475 1.723 20 0 EDADRP CC(C)COC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363633247 153017452 /nfs/dbraw/zinc/01/74/52/153017452.db2.gz OBEXZNQWHRBBTM-GOSISDBHSA-N 2 0 328.497 1.454 20 0 EDADRP C[NH+](C)CCNC(=O)N[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000363857715 153076479 /nfs/dbraw/zinc/07/64/79/153076479.db2.gz ZZJWUSWKDKUNDW-FGTMMUONSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863381 153078822 /nfs/dbraw/zinc/07/88/22/153078822.db2.gz UGJLQEIYZAFAKI-KXBFYZLASA-N 2 0 342.487 1.893 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000417197735 304383752 /nfs/dbraw/zinc/38/37/52/304383752.db2.gz QGICIBCJAUIIOR-HKUYNNGSSA-N 2 0 332.492 1.848 20 0 EDADRP CC(C)N1CCc2nc(C[NH2+]C[C@@]3(O)CCO[C@H]3C)sc2C1 ZINC000364779057 153330525 /nfs/dbraw/zinc/33/05/25/153330525.db2.gz DXLBUVWBISNYDM-LRDDRELGSA-N 2 0 325.478 1.539 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@]1(F)CC[NH2+]C1 ZINC000364871176 153356925 /nfs/dbraw/zinc/35/69/25/153356925.db2.gz GPTNNWPBMOPFSB-WMLDXEAASA-N 2 0 335.379 1.236 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)C1(C)C ZINC000188133250 286417048 /nfs/dbraw/zinc/41/70/48/286417048.db2.gz HAZNIPRLEOLTEA-RKVPGOIHSA-N 2 0 325.497 1.756 20 0 EDADRP [NH3+][C@H](C(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CCOCC1 ZINC000367181067 154032262 /nfs/dbraw/zinc/03/22/62/154032262.db2.gz WRPGEBWUUITNQO-SFHVURJKSA-N 2 0 337.508 1.901 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C(C)(C)CN2CCn3ccnc3C2)C1 ZINC000367933152 154332557 /nfs/dbraw/zinc/33/25/57/154332557.db2.gz WSSACAXKGGZPDS-HNNXBMFYSA-N 2 0 333.480 1.278 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000369658433 155122319 /nfs/dbraw/zinc/12/23/19/155122319.db2.gz DGMRNAMPSIGEHH-ULQDDVLXSA-N 2 0 325.497 1.819 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000417397227 304396387 /nfs/dbraw/zinc/39/63/87/304396387.db2.gz WXTZBSHLFSWMGF-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N2CCCO[C@H]3CCC[C@H]32)CC1 ZINC000372268027 156295717 /nfs/dbraw/zinc/29/57/17/156295717.db2.gz VKHBHRSMDHLMGS-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)CC1 ZINC000417439428 292348911 /nfs/dbraw/zinc/34/89/11/292348911.db2.gz LPNOIYUCCASQDL-SFHVURJKSA-N 2 0 338.496 1.272 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000368696896 292349208 /nfs/dbraw/zinc/34/92/08/292349208.db2.gz OMPPVZUEBPBXBU-SJORKVTESA-N 2 0 338.496 1.413 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000374044612 157120402 /nfs/dbraw/zinc/12/04/02/157120402.db2.gz TUKCLDGVOZDMPV-ROUUACIJSA-N 2 0 349.519 1.964 20 0 EDADRP Cc1ncc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C2CC2)n1 ZINC000374228398 157203742 /nfs/dbraw/zinc/20/37/42/157203742.db2.gz GQYUPSHJKBNIMH-OAHLLOKOSA-N 2 0 343.475 1.561 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[C@H]1c1cccs1 ZINC000374591682 157339366 /nfs/dbraw/zinc/33/93/66/157339366.db2.gz HKUFPNRLHMDALM-BMFZPTHFSA-N 2 0 337.489 1.611 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000377799191 157994551 /nfs/dbraw/zinc/99/45/51/157994551.db2.gz RSSAJLHOJNCYKF-DOTOQJQBSA-N 2 0 331.464 1.406 20 0 EDADRP COCC[C@@]1(C(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000378200117 158106861 /nfs/dbraw/zinc/10/68/61/158106861.db2.gz CRNROFDKEAKWNU-SFHVURJKSA-N 2 0 335.448 1.582 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[C@H]2[NH3+])[C@@H](c2ccccc2)C1 ZINC000378207484 158110075 /nfs/dbraw/zinc/11/00/75/158110075.db2.gz RURUNPBKTKYUNW-KZNAEPCWSA-N 2 0 330.476 1.219 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000417914036 304430352 /nfs/dbraw/zinc/43/03/52/304430352.db2.gz QPMPUFHRPDBASG-BBWFWOEESA-N 2 0 338.496 1.181 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417913687 304430380 /nfs/dbraw/zinc/43/03/80/304430380.db2.gz QHPQEJDXJGRJQR-DJIMGWMZSA-N 2 0 338.496 1.196 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)c1ccon1 ZINC000352276800 162088793 /nfs/dbraw/zinc/08/87/93/162088793.db2.gz XGVYVUKRCMMPJL-GJZGRUSLSA-N 2 0 337.468 1.793 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418170366 304458706 /nfs/dbraw/zinc/45/87/06/304458706.db2.gz OIYOILXYRZHKEV-HNNXBMFYSA-N 2 0 348.491 1.814 20 0 EDADRP C[N@@H+](CCC(=O)Nc1ccc(C(N)=O)cc1)CC[C@H]1CCCC[NH+]1C ZINC000072759266 287256892 /nfs/dbraw/zinc/25/68/92/287256892.db2.gz JBCPLMAZXOEETM-QGZVFWFLSA-N 2 0 346.475 1.920 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)C1 ZINC000073527324 287261167 /nfs/dbraw/zinc/26/11/67/287261167.db2.gz LYCHJNQJPAOVKE-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000073676591 287262600 /nfs/dbraw/zinc/26/26/00/287262600.db2.gz GJVCJNSMDRRLFV-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC(=O)Nc1cccc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000077762323 287289710 /nfs/dbraw/zinc/28/97/10/287289710.db2.gz HMPZNYSNDYCBHH-UHFFFAOYSA-N 2 0 349.479 1.280 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cc(C)n(C)n1 ZINC000121873080 287375450 /nfs/dbraw/zinc/37/54/50/287375450.db2.gz ASCYOFWKKCCVHA-OAHLLOKOSA-N 2 0 336.484 1.608 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COC[C@H]2CCCO2)CC1 ZINC000123540396 287388388 /nfs/dbraw/zinc/38/83/88/287388388.db2.gz CBEPTLKSMYWNNX-ZWKOTPCHSA-N 2 0 328.497 1.597 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000124279717 287396608 /nfs/dbraw/zinc/39/66/08/287396608.db2.gz NQGVZTJJKJIHFX-UHFFFAOYSA-N 2 0 332.448 1.241 20 0 EDADRP Cc1c(C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000169027295 226229994 /nfs/dbraw/zinc/22/99/94/226229994.db2.gz DTOBPEBFYLYGRS-ZFWWWQNUSA-N 2 0 334.468 1.114 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000123345313 222260782 /nfs/dbraw/zinc/26/07/82/222260782.db2.gz KLVKVYSAWGWKCN-INIZCTEOSA-N 2 0 340.512 1.374 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418464819 304498565 /nfs/dbraw/zinc/49/85/65/304498565.db2.gz BTYLJGGGTVOCLK-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418477854 304500275 /nfs/dbraw/zinc/50/02/75/304500275.db2.gz YPNAKMUBUXYSLN-OAHLLOKOSA-N 2 0 328.501 1.646 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000418492103 304502817 /nfs/dbraw/zinc/50/28/17/304502817.db2.gz UBTIPUVGEQDYIG-UAGQMJEPSA-N 2 0 334.439 1.555 20 0 EDADRP CC(C)N(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000652345389 452519795 /nfs/dbraw/zinc/51/97/95/452519795.db2.gz AWVZDFIMMRHUIX-YESZJQIVSA-N 2 0 325.497 1.850 20 0 EDADRP CS[C@H]1CN(C(=O)c2cnccc2N(C)C)C[C@H]1[NH+]1CCCC1 ZINC000275075458 268276064 /nfs/dbraw/zinc/27/60/64/268276064.db2.gz CMOHLJUEIYZVDO-CVEARBPZSA-N 2 0 334.489 1.799 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275382256 268333425 /nfs/dbraw/zinc/33/34/25/268333425.db2.gz DPHQJKOPQRKUGJ-UHFFFAOYSA-N 2 0 348.491 1.577 20 0 EDADRP Cc1nnc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000273445340 273040500 /nfs/dbraw/zinc/04/05/00/273040500.db2.gz KFDLETLGYWJDAU-UHFFFAOYSA-N 2 0 346.460 1.184 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000273546883 273043467 /nfs/dbraw/zinc/04/34/67/273043467.db2.gz UTYBDIKWVZRGJH-KRWDZBQOSA-N 2 0 344.459 1.660 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000277284855 273187313 /nfs/dbraw/zinc/18/73/13/273187313.db2.gz IPPWAYSOROUNEI-MOPGFXCFSA-N 2 0 347.503 1.980 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CCCCCO ZINC000278985562 273277215 /nfs/dbraw/zinc/27/72/15/273277215.db2.gz ZSMPXCWEZRYEOI-MJGOQNOKSA-N 2 0 347.503 1.860 20 0 EDADRP CC1=CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000280581177 273373871 /nfs/dbraw/zinc/37/38/71/273373871.db2.gz ABZNYAQACRBZNV-UHFFFAOYSA-N 2 0 343.475 1.955 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH2+][C@@]2(CO)CCc3ccccc32)CC1 ZINC000374300903 273532441 /nfs/dbraw/zinc/53/24/41/273532441.db2.gz ZBZVJELGZLWVFW-HXUWFJFHSA-N 2 0 331.504 1.826 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)C2(C[NH3+])CCOCC2)c1 ZINC000284888794 274374352 /nfs/dbraw/zinc/37/43/52/274374352.db2.gz SVOIWMSAWYLVGD-UHFFFAOYSA-N 2 0 335.448 1.711 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365085337 276123021 /nfs/dbraw/zinc/12/30/21/276123021.db2.gz DOCKERNMPQNDQF-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377637688 276158066 /nfs/dbraw/zinc/15/80/66/276158066.db2.gz UOOYDPUVZWKGNQ-ROUUACIJSA-N 2 0 336.524 1.488 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000171528245 276200830 /nfs/dbraw/zinc/20/08/30/276200830.db2.gz DJSAEEUFYZUVND-INIZCTEOSA-N 2 0 348.466 1.866 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)C[C@@H]1C ZINC000442880340 276287569 /nfs/dbraw/zinc/28/75/69/276287569.db2.gz YKHXRFANNYGJBS-GVDBMIGSSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC000176635632 276773154 /nfs/dbraw/zinc/77/31/54/276773154.db2.gz UOOHUXWWYPXNEO-WBVHZDCISA-N 2 0 339.528 1.184 20 0 EDADRP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC[C@H]21 ZINC000496385706 277068851 /nfs/dbraw/zinc/06/88/51/277068851.db2.gz UGTMEIBOZSPWGK-IIDMSEBBSA-N 2 0 341.496 1.678 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCC[NH+](CC(C)C)CC1 ZINC000369611376 277222952 /nfs/dbraw/zinc/22/29/52/277222952.db2.gz GGBSRIULDLRUNS-KRWDZBQOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262789493 277597135 /nfs/dbraw/zinc/59/71/35/277597135.db2.gz MWHJYHGLZKGTAC-KGLIPLIRSA-N 2 0 336.455 1.882 20 0 EDADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)CN1CCOCC1 ZINC000422769423 278211332 /nfs/dbraw/zinc/21/13/32/278211332.db2.gz SWUYTXBZUFBPJO-KPFFTGBYSA-N 2 0 345.487 1.800 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000262007172 278289513 /nfs/dbraw/zinc/28/95/13/278289513.db2.gz RWQSQLHAVJELSX-QILLFSRXSA-N 2 0 325.497 1.445 20 0 EDADRP CC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCOC1 ZINC000347281636 288064323 /nfs/dbraw/zinc/06/43/23/288064323.db2.gz YLCAKNOIUPENPJ-FHWLQOOXSA-N 2 0 347.503 1.680 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000362385232 279124398 /nfs/dbraw/zinc/12/43/98/279124398.db2.gz VADGQWLRQYESED-INIZCTEOSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(N2CCOCC2)CCSC1 ZINC000247040101 288107007 /nfs/dbraw/zinc/10/70/07/288107007.db2.gz MRUXGJOZTKQDLC-VQHPVUNQSA-N 2 0 327.538 1.513 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000163968180 279147422 /nfs/dbraw/zinc/14/74/22/279147422.db2.gz XZHPYVRCIORTOS-DLBZAZTESA-N 2 0 335.448 1.183 20 0 EDADRP C[C@H](C(=O)N1CC(=O)Nc2ccccc21)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062364 279187105 /nfs/dbraw/zinc/18/71/05/279187105.db2.gz UNDMECIFIFDWGM-ZIAGYGMSSA-N 2 0 330.432 1.421 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000333829551 279195540 /nfs/dbraw/zinc/19/55/40/279195540.db2.gz JECJQFQTHCHASS-KBMXLJTQSA-N 2 0 336.480 1.613 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]1C[N@@H+]1CCC[C@H]1CO)[NH+](C)C1CC1 ZINC000362812765 279330085 /nfs/dbraw/zinc/33/00/85/279330085.db2.gz DUJJIEWBACPHFL-PVAVHDDUSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000360121666 279374788 /nfs/dbraw/zinc/37/47/88/279374788.db2.gz AHMYEJYWILRJSK-HOTGVXAUSA-N 2 0 328.501 1.467 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@]34CCC[C@@H]3C[NH2+]C4)CC2)C[C@H](C)O1 ZINC000373860607 288151915 /nfs/dbraw/zinc/15/19/15/288151915.db2.gz UGQLOSBUTMYCBS-YNVMFWSZSA-N 2 0 349.519 1.724 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]([NH3+])CC(F)F)CC2)C[C@H](C)O1 ZINC000345704244 288156490 /nfs/dbraw/zinc/15/64/90/288156490.db2.gz FQKIUWFOWNVIPR-VNHYZAJKSA-N 2 0 347.450 1.707 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cn1cc(Cl)cn1 ZINC000287382474 288224723 /nfs/dbraw/zinc/22/47/23/288224723.db2.gz LMDDSKCALSVYCA-HNNXBMFYSA-N 2 0 341.887 1.411 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000287491232 288249326 /nfs/dbraw/zinc/24/93/26/288249326.db2.gz XOKSLSUWQVWVMQ-MRXNPFEDSA-N 2 0 340.443 1.306 20 0 EDADRP CC1(C)C[N@@H+](C2(CNC(=O)C3CC[NH2+]CC3)CCCCC2)CCO1 ZINC000262702972 281229519 /nfs/dbraw/zinc/22/95/19/281229519.db2.gz JWKZVHVUBSOXCV-UHFFFAOYSA-N 2 0 337.508 1.916 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000287993022 288376410 /nfs/dbraw/zinc/37/64/10/288376410.db2.gz XNFJNQBVMXRMQI-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000458552554 282060415 /nfs/dbraw/zinc/06/04/15/282060415.db2.gz MZAYNWRUWIAEDS-JKSUJKDBSA-N 2 0 340.512 1.394 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)C12CCC[NH+]1CCC2 ZINC000290613214 288925168 /nfs/dbraw/zinc/92/51/68/288925168.db2.gz KKQCPUCOUITLDA-UHFFFAOYSA-N 2 0 346.475 1.657 20 0 EDADRP C[NH+](C)C[C@](C)(O)CNC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000119867379 289220231 /nfs/dbraw/zinc/22/02/31/289220231.db2.gz ZIQJDTRXALQSDB-IEBWSBKVSA-N 2 0 348.491 1.435 20 0 EDADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)CC3CC[NH+](C)CC3)nc2)C1 ZINC000292081630 289257003 /nfs/dbraw/zinc/25/70/03/289257003.db2.gz HUWXTEAZRWRGKV-KRWDZBQOSA-N 2 0 345.491 1.892 20 0 EDADRP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237412632 289271537 /nfs/dbraw/zinc/27/15/37/289271537.db2.gz XFQZXHWWDBRAMR-JENIJYKNSA-N 2 0 345.487 1.893 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000420303302 289277973 /nfs/dbraw/zinc/27/79/73/289277973.db2.gz CRZBAZOUQKOTIB-AEFFLSMTSA-N 3 0 332.492 1.466 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)Nc1ncccc1C[NH3+])Cc1ccccc1 ZINC000415995389 289359067 /nfs/dbraw/zinc/35/90/67/289359067.db2.gz KTQDXPLGJWPZRK-INIZCTEOSA-N 2 0 327.432 1.835 20 0 EDADRP CN(C[C@H](O)C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496478519 289376122 /nfs/dbraw/zinc/37/61/22/289376122.db2.gz YDDZHRPVDNLBIL-QLFBSQMISA-N 2 0 329.485 1.677 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)CCSC1 ZINC000417822487 289399489 /nfs/dbraw/zinc/39/94/89/289399489.db2.gz IMWDLQJMMOHABI-INIZCTEOSA-N 2 0 326.510 1.209 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237447271 289901100 /nfs/dbraw/zinc/90/11/00/289901100.db2.gz JLHNKJGHQVKIEU-YOEHRIQHSA-N 2 0 348.466 1.897 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H]2CCCC[NH+]2C2CC2)C[C@@H]1C ZINC000333115504 290096942 /nfs/dbraw/zinc/09/69/42/290096942.db2.gz GFURFAZXVVRFAD-YQQAZPJKSA-N 2 0 338.496 1.100 20 0 EDADRP CSC1(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CC[NH+](C)CC1 ZINC000353618439 295582496 /nfs/dbraw/zinc/58/24/96/295582496.db2.gz GFXAIIGDVJCZFB-ZDUSSCGKSA-N 2 0 334.551 1.617 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000419642160 304648317 /nfs/dbraw/zinc/64/83/17/304648317.db2.gz FNJQDBOOYBDERZ-KGLIPLIRSA-N 2 0 334.464 1.086 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000419664415 304654853 /nfs/dbraw/zinc/65/48/53/304654853.db2.gz MHUOXDDSXVISCP-CQSZACIVSA-N 2 0 338.496 1.014 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+])C(C)C ZINC000419665477 304655179 /nfs/dbraw/zinc/65/51/79/304655179.db2.gz OPBCCVQVBOGKLR-HZPDHXFCSA-N 2 0 340.512 1.197 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419720787 304670922 /nfs/dbraw/zinc/67/09/22/304670922.db2.gz IVEOEEHRHVRNLM-GFCCVEGCSA-N 2 0 326.485 1.046 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C(=O)N(C)[C@@H](C)C[NH3+])CC1 ZINC000419733993 304674772 /nfs/dbraw/zinc/67/47/72/304674772.db2.gz URBWQRPYBHQEHB-LSDHHAIUSA-N 2 0 346.475 1.134 20 0 EDADRP O=C(CN1CC[NH+](CC[C@H]2CCC[NH2+]C2)CC1)NCc1ccccc1 ZINC000420298529 304745597 /nfs/dbraw/zinc/74/55/97/304745597.db2.gz HOATXBLFNLYOCO-LJQANCHMSA-N 2 0 344.503 1.310 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C3(COC)CCC3)CC2)CC1 ZINC000422025953 447314013 /nfs/dbraw/zinc/31/40/13/447314013.db2.gz TWUGWZQPSLGOBP-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC([C@@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420389030 304754086 /nfs/dbraw/zinc/75/40/86/304754086.db2.gz LWAOAWJOWQWPPT-SJORKVTESA-N 2 0 325.497 1.853 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977392 303117340 /nfs/dbraw/zinc/11/73/40/303117340.db2.gz RLDFMIKPVKKXGK-XQLPTFJDSA-N 2 0 334.430 1.333 20 0 EDADRP O=C(CCNC(=O)[C@H]1CCC[NH2+]1)NCCCCC[NH+]1CCCCC1 ZINC000354707147 303583681 /nfs/dbraw/zinc/58/36/81/303583681.db2.gz LAUCQQUWQSCPGY-MRXNPFEDSA-N 2 0 338.496 1.017 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[N@H+](C)C1CC1 ZINC000414882150 447342290 /nfs/dbraw/zinc/34/22/90/447342290.db2.gz RRTYPHJATPIAQN-LLVKDONJSA-N 2 0 348.422 1.009 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1CS(=O)(=O)N1CCCC1 ZINC000422998446 304882657 /nfs/dbraw/zinc/88/26/57/304882657.db2.gz CSMPELIXEHQJGD-LSDHHAIUSA-N 2 0 339.505 1.828 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423098807 304885852 /nfs/dbraw/zinc/88/58/52/304885852.db2.gz LNOOIDCHLICERT-SMDDNHRTSA-N 2 0 347.431 1.221 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3nn(C)cc32)CC[NH2+]CC1 ZINC000423117159 304887377 /nfs/dbraw/zinc/88/73/77/304887377.db2.gz UCHOTDXBVNUKRG-DZGCQCFKSA-N 2 0 334.464 1.709 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCN2CC[NH2+]CC2)c2ccccc21 ZINC000423205325 304889259 /nfs/dbraw/zinc/88/92/59/304889259.db2.gz PDALKTHRXNCDQQ-QZTJIDSGSA-N 2 0 331.460 1.663 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1)c1cccs1 ZINC000423311143 304892120 /nfs/dbraw/zinc/89/21/20/304892120.db2.gz SSTRIUDHOOVUMU-OCCSQVGLSA-N 2 0 347.488 1.971 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1 ZINC000423328854 304892468 /nfs/dbraw/zinc/89/24/68/304892468.db2.gz MGXCSURTTUSYEZ-XJKSGUPXSA-N 2 0 325.478 1.635 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+]CCC[NH2+]C1CC1 ZINC000423562507 304898598 /nfs/dbraw/zinc/89/85/98/304898598.db2.gz QNDLQISTJZGVRL-LLVKDONJSA-N 2 0 328.254 1.731 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000423724348 304906040 /nfs/dbraw/zinc/90/60/40/304906040.db2.gz HVAOMTHLCILYOC-UHFFFAOYSA-N 3 0 346.519 1.780 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000423743998 304907483 /nfs/dbraw/zinc/90/74/83/304907483.db2.gz KSOAEUQIXBADQR-INIZCTEOSA-N 2 0 339.867 1.609 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CC1 ZINC000423747084 304908070 /nfs/dbraw/zinc/90/80/70/304908070.db2.gz OXMWJZMTIAIFDU-SHARSMKWSA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000423752232 304908223 /nfs/dbraw/zinc/90/82/23/304908223.db2.gz VRANPVVDXQZKQS-QAPCUYQASA-N 2 0 337.414 1.855 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)CC1 ZINC000423768894 304909477 /nfs/dbraw/zinc/90/94/77/304909477.db2.gz XNCKFSRDDZXCIM-FQEVSTJZSA-N 2 0 344.503 1.347 20 0 EDADRP Cc1ncoc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017689 304925381 /nfs/dbraw/zinc/92/53/81/304925381.db2.gz GVCZQIYRMNMKDM-UHFFFAOYSA-N 2 0 328.416 1.706 20 0 EDADRP C[C@@]1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CCCC[NH2+]1 ZINC000424019513 304925631 /nfs/dbraw/zinc/92/56/31/304925631.db2.gz MCHYRFBCFSMNEF-IBGZPJMESA-N 3 0 344.503 1.628 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424039341 304925997 /nfs/dbraw/zinc/92/59/97/304925997.db2.gz NPMUYIUXSVDBEB-QZTJIDSGSA-N 3 0 344.503 1.614 20 0 EDADRP C[C@@H](NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000428950634 305020786 /nfs/dbraw/zinc/02/07/86/305020786.db2.gz GBXKSZIRDKLFEZ-VQIMIIECSA-N 2 0 344.503 1.552 20 0 EDADRP O=C(C[N@@H+]1CCOC[C@@H](C2CCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000429007391 305022278 /nfs/dbraw/zinc/02/22/78/305022278.db2.gz JTQKGTRCASSPBQ-INIZCTEOSA-N 2 0 335.492 1.478 20 0 EDADRP CCOCc1ccc(CNC(=O)C[NH+]2CCC(C[NH2+]C)CC2)cc1 ZINC000430932727 305068898 /nfs/dbraw/zinc/06/88/98/305068898.db2.gz ZVZWYCZWNPSZOY-UHFFFAOYSA-N 2 0 333.476 1.771 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c1 ZINC000430950279 305070273 /nfs/dbraw/zinc/07/02/73/305070273.db2.gz QQYKWRQBEHEDHY-CHWSQXEVSA-N 2 0 332.448 1.432 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431032006 305073187 /nfs/dbraw/zinc/07/31/87/305073187.db2.gz GSPUBSROWUNRKS-ZDUSSCGKSA-N 2 0 331.416 1.818 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433385363 305107142 /nfs/dbraw/zinc/10/71/42/305107142.db2.gz XWQRAPYSPPCXDK-QLFBSQMISA-N 2 0 334.468 1.195 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)([NH+](C)C)C1 ZINC000433392853 305107592 /nfs/dbraw/zinc/10/75/92/305107592.db2.gz YTHCNCKZFDYDTN-VKJFTORMSA-N 2 0 348.495 1.443 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC000434662184 305126813 /nfs/dbraw/zinc/12/68/13/305126813.db2.gz BHDXOKNRVVTUMP-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1CCc1ccc2c(c1)CCO2 ZINC000436051382 305151380 /nfs/dbraw/zinc/15/13/80/305151380.db2.gz AVVZWWDSWDLWJU-KRWDZBQOSA-N 2 0 331.460 1.484 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438888829 305190587 /nfs/dbraw/zinc/19/05/87/305190587.db2.gz XFWORBFBAHBDDC-INIZCTEOSA-N 2 0 332.448 1.122 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000441307355 305220554 /nfs/dbraw/zinc/22/05/54/305220554.db2.gz VNMHKGFLUODYTJ-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@H+](CCNS(=O)(=O)c1ccccc1Cn1ccnc1)C1CC1 ZINC000442983819 305232640 /nfs/dbraw/zinc/23/26/40/305232640.db2.gz PEOIRKNDEUFMLJ-UHFFFAOYSA-N 2 0 334.445 1.304 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)(N2CCOCC2)C1 ZINC000447566119 305282343 /nfs/dbraw/zinc/28/23/43/305282343.db2.gz QMBBUWYOMQZPSI-ZLZJIPBDSA-N 2 0 325.497 1.186 20 0 EDADRP CCn1nnc(C)c1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449173797 305308746 /nfs/dbraw/zinc/30/87/46/305308746.db2.gz XZPDKQCKUSLLIV-UHFFFAOYSA-N 2 0 334.512 1.646 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CCSC1 ZINC000449326792 305311443 /nfs/dbraw/zinc/31/14/43/305311443.db2.gz ZEUBMQMCJKYDID-QZTJIDSGSA-N 2 0 333.501 1.471 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000449725584 305318137 /nfs/dbraw/zinc/31/81/37/305318137.db2.gz OBASFRZMVICVCM-SJLPKXTDSA-N 2 0 330.476 1.291 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2ccccc2F)CC1 ZINC000451975973 305375576 /nfs/dbraw/zinc/37/55/76/305375576.db2.gz ATKFZURDGWONFX-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNCc2cc(C3CC[NH2+]CC3)no2)C1 ZINC000425894921 447352141 /nfs/dbraw/zinc/35/21/41/447352141.db2.gz HNJGGLSJNHXTRT-QGZVFWFLSA-N 2 0 336.480 1.588 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414913008 447354687 /nfs/dbraw/zinc/35/46/87/447354687.db2.gz VMVFEWGYEAAUNA-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1)CC2 ZINC000518754779 305763533 /nfs/dbraw/zinc/76/35/33/305763533.db2.gz BQUCMNBVVSVRDR-NSHGMRRFSA-N 2 0 343.471 1.919 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CC1 ZINC000524936890 305821155 /nfs/dbraw/zinc/82/11/55/305821155.db2.gz FYSRAXRILMKCHO-UHFFFAOYSA-N 3 0 341.544 1.242 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414931800 447361893 /nfs/dbraw/zinc/36/18/93/447361893.db2.gz UZBGMQMLQAEJJH-INIZCTEOSA-N 2 0 330.432 1.171 20 0 EDADRP CCCCOC1CC[NH+]([C@@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000525750259 305826789 /nfs/dbraw/zinc/82/67/89/305826789.db2.gz VPLPEKRIHDAVSH-MRXNPFEDSA-N 2 0 339.480 1.347 20 0 EDADRP [NH3+]CCOCC[NH+]1CCC(Cc2nc(C3CCOCC3)no2)CC1 ZINC000530231555 305935229 /nfs/dbraw/zinc/93/52/29/305935229.db2.gz KFYAHHZSUPUHSV-UHFFFAOYSA-N 2 0 338.452 1.193 20 0 EDADRP CCc1noc2ncc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc12 ZINC000530641883 305944544 /nfs/dbraw/zinc/94/45/44/305944544.db2.gz ZAVDHNLPCTWOJO-UHFFFAOYSA-N 2 0 333.436 1.351 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000539832494 306037730 /nfs/dbraw/zinc/03/77/30/306037730.db2.gz VUZSPGRVUBXMMJ-UHFFFAOYSA-N 2 0 333.480 1.619 20 0 EDADRP Cc1cc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])n(Cc2ccccc2)n1 ZINC000556938063 306221397 /nfs/dbraw/zinc/22/13/97/306221397.db2.gz UGXDIGDUKLEJNJ-MRXNPFEDSA-N 2 0 342.447 1.346 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N(C)[C@@H]2CC[NH2+]C2)CC1 ZINC000556947492 306221699 /nfs/dbraw/zinc/22/16/99/306221699.db2.gz SAZVLGIMHJTERV-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000557133931 306224687 /nfs/dbraw/zinc/22/46/87/306224687.db2.gz HIFHMJJJGDARMS-BZUAXINKSA-N 2 0 326.485 1.160 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000557190475 306226017 /nfs/dbraw/zinc/22/60/17/306226017.db2.gz SMJVSZNEPIVMMN-OKZBNKHCSA-N 2 0 339.443 1.293 20 0 EDADRP C[C@H](CCNC(=O)C(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCCCC1 ZINC000419716975 447369980 /nfs/dbraw/zinc/36/99/80/447369980.db2.gz SSHBSSGRPSARER-ZBFHGGJFSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(S(=O)(=O)C(C)(C)C)CC1 ZINC000426041724 447384395 /nfs/dbraw/zinc/38/43/95/447384395.db2.gz HCLVUEFWKHZNTE-YCPHGPKFSA-N 2 0 345.553 1.897 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+](C2CC2)C1 ZINC000458521331 447399678 /nfs/dbraw/zinc/39/96/78/447399678.db2.gz SSUWCSURXDIARR-YOEHRIQHSA-N 2 0 340.537 1.549 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000419810216 447425638 /nfs/dbraw/zinc/42/56/38/447425638.db2.gz LIFREBSMRAHPMA-IRXDYDNUSA-N 2 0 348.491 1.237 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CCCCC1 ZINC000419809083 447426165 /nfs/dbraw/zinc/42/61/65/447426165.db2.gz HDZFWUCCDMDICH-LSDHHAIUSA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415428053 447429637 /nfs/dbraw/zinc/42/96/37/447429637.db2.gz OBAQBKGAZBXKCX-RDJZCZTQSA-N 2 0 346.475 1.664 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccncc2)on1 ZINC000103212733 441177620 /nfs/dbraw/zinc/17/76/20/441177620.db2.gz WZTLXUBXGGAOBT-UHFFFAOYSA-N 2 0 331.420 1.302 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+](C)C2CCCC2)C[C@@H](C)O1 ZINC000104780667 441207773 /nfs/dbraw/zinc/20/77/73/441207773.db2.gz ZDHSTXKARUNURG-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCc2ccccc2C[NH+]2CCCC2)CC1 ZINC000072828779 441264536 /nfs/dbraw/zinc/26/45/36/441264536.db2.gz KJSAZHRPRAYBPP-UHFFFAOYSA-N 2 0 344.503 1.536 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000063178538 441316710 /nfs/dbraw/zinc/31/67/10/441316710.db2.gz MDIGWHASTYKLSW-ZDUSSCGKSA-N 2 0 340.265 1.736 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000073728648 441347234 /nfs/dbraw/zinc/34/72/34/441347234.db2.gz KLLXGFRQHMAVFL-INIZCTEOSA-N 2 0 329.488 1.886 20 0 EDADRP CCc1cnc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000074843038 441471740 /nfs/dbraw/zinc/47/17/40/441471740.db2.gz BDSICEOACVDZEH-UHFFFAOYSA-N 2 0 327.498 1.340 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000085822452 441451824 /nfs/dbraw/zinc/45/18/24/441451824.db2.gz OOZYJIFDXQOTNB-QBPKDAKJSA-N 2 0 341.521 1.074 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000111832050 441541740 /nfs/dbraw/zinc/54/17/40/441541740.db2.gz BMMAWXUEZSTYCG-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835501 441558058 /nfs/dbraw/zinc/55/80/58/441558058.db2.gz CXZUGTXOOPYXRS-BZSNNMDCSA-N 2 0 326.481 1.351 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000115433626 441740321 /nfs/dbraw/zinc/74/03/21/441740321.db2.gz GFHNHARRYUXWMX-INIZCTEOSA-N 2 0 345.491 1.247 20 0 EDADRP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC000121515524 441723078 /nfs/dbraw/zinc/72/30/78/441723078.db2.gz JXDZXOGBODYRLM-UHFFFAOYSA-N 2 0 348.472 1.728 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000121763865 441775020 /nfs/dbraw/zinc/77/50/20/441775020.db2.gz NYYCINJURCENJF-HKUYNNGSSA-N 2 0 348.491 1.435 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC2(CO)COC2)CC1 ZINC000092414647 441796918 /nfs/dbraw/zinc/79/69/18/441796918.db2.gz KHFUCOADMXJAQT-UHFFFAOYSA-N 2 0 339.867 1.190 20 0 EDADRP CC(C)COC[C@@H](O)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173953070 441868681 /nfs/dbraw/zinc/86/86/81/441868681.db2.gz MSGIUXGPFOGRTB-KRWDZBQOSA-N 2 0 328.497 1.597 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(CC(=O)NC(=O)NCc3ccccc3)CC[C@@H]21 ZINC000139823328 441828154 /nfs/dbraw/zinc/82/81/54/441828154.db2.gz IHRDPYDZMANXIL-SJORKVTESA-N 2 0 344.459 1.429 20 0 EDADRP CN(c1ccccc1C[N@H+](C)CC(C)(CO)CO)C1CC[NH+](C)CC1 ZINC000093502749 441888288 /nfs/dbraw/zinc/88/82/88/441888288.db2.gz CYARMKURQRMNLX-UHFFFAOYSA-N 2 0 349.519 1.640 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000174718691 441957173 /nfs/dbraw/zinc/95/71/73/441957173.db2.gz MIKOBOOOTMIAIN-QGZVFWFLSA-N 2 0 338.540 1.497 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000175236268 442022642 /nfs/dbraw/zinc/02/26/42/442022642.db2.gz TWTFRRSSKOICAY-UHFFFAOYSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000175608108 442092703 /nfs/dbraw/zinc/09/27/03/442092703.db2.gz HPDWFZAQVSJQPT-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C[NH+]1CCCCC1 ZINC000151434839 442060934 /nfs/dbraw/zinc/06/09/34/442060934.db2.gz NBEYBBOFBXRUPD-MRXNPFEDSA-N 2 0 340.512 1.207 20 0 EDADRP Cc1noc(C)c1[C@@H](C)CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000151517976 442076446 /nfs/dbraw/zinc/07/64/46/442076446.db2.gz IRUKUJGELCUCHG-ZDUSSCGKSA-N 2 0 339.484 1.530 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCC[N@H+](C)CC)[NH+]1CCOCC1 ZINC000120733677 442124786 /nfs/dbraw/zinc/12/47/86/442124786.db2.gz BCDWFUMNRGZQNN-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CCC([NH+](C)CCO)CC2)C1 ZINC000162964400 442134686 /nfs/dbraw/zinc/13/46/86/442134686.db2.gz CULOMXMIYFCVHO-MRXNPFEDSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)N2CCC([N@H+](C)CCO)CC2)CC1 ZINC000164592295 442199577 /nfs/dbraw/zinc/19/95/77/442199577.db2.gz SEIASSYDESGCDH-UHFFFAOYSA-N 2 0 340.512 1.205 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000120968551 442159603 /nfs/dbraw/zinc/15/96/03/442159603.db2.gz FEELTYLXFXPDFQ-IBGZPJMESA-N 2 0 345.487 1.914 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000152545659 442224861 /nfs/dbraw/zinc/22/48/61/442224861.db2.gz DRWWJDRGUAWZBA-HKUYNNGSSA-N 2 0 333.476 1.327 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)CC1 ZINC000171065788 442305692 /nfs/dbraw/zinc/30/56/92/442305692.db2.gz KYWORCRWAZXATO-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP Cc1nccn1CCCN(C)CC(=O)Nc1nnc(-c2ccco2)o1 ZINC000130567025 442349571 /nfs/dbraw/zinc/34/95/71/442349571.db2.gz BWDYTONEQJXEJV-UHFFFAOYSA-N 2 0 344.375 1.795 20 0 EDADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000130619293 442351479 /nfs/dbraw/zinc/35/14/79/442351479.db2.gz GXSSPHAOCFWHQG-IAGOWNOFSA-N 2 0 345.491 1.180 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000129320110 442311665 /nfs/dbraw/zinc/31/16/65/442311665.db2.gz YSHWQOYFEVRTBG-ZWKOTPCHSA-N 2 0 332.492 1.752 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]2C[NH+]2CCCC2)CC1 ZINC000171663043 442367523 /nfs/dbraw/zinc/36/75/23/442367523.db2.gz JKWWDYQDNSVLQT-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C[N@H+](C)[C@@H]2CCSC2)o1 ZINC000155128926 442377256 /nfs/dbraw/zinc/37/72/56/442377256.db2.gz RGTREXXQECXWPF-OAHLLOKOSA-N 2 0 339.505 1.916 20 0 EDADRP Cc1nn(C)cc1[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000177826778 442389014 /nfs/dbraw/zinc/38/90/14/442389014.db2.gz ZEUQFUZWCUMBIF-AWEZNQCLSA-N 2 0 328.464 1.726 20 0 EDADRP CC[C@H](NC(=O)C[C@@H]1CC[NH2+]C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000130939043 442360272 /nfs/dbraw/zinc/36/02/72/442360272.db2.gz YURNZMUKTKQXKA-FHWLQOOXSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000178832713 442498229 /nfs/dbraw/zinc/49/82/29/442498229.db2.gz RVEKOBKDPKJADA-QGZVFWFLSA-N 2 0 331.460 1.402 20 0 EDADRP O=C(c1cc2ccccc2[nH]1)N1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178971387 442541811 /nfs/dbraw/zinc/54/18/11/442541811.db2.gz RUTHYRPFMUXLMF-UHFFFAOYSA-N 2 0 326.444 1.925 20 0 EDADRP COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)CC3CC[NH2+]CC3)C2=O)c1 ZINC000178976496 442543158 /nfs/dbraw/zinc/54/31/58/442543158.db2.gz NKIKIXUOGKYMQI-GOSISDBHSA-N 2 0 347.459 1.741 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@H]3C[NH2+]CC[C@@H]3C)cc2)CC1 ZINC000186711368 442597795 /nfs/dbraw/zinc/59/77/95/442597795.db2.gz XTWNBXPCTHFXJO-LPHOPBHVSA-N 2 0 344.503 1.945 20 0 EDADRP COC(=O)C1CCC([NH2+]CC2CC[NH+](CCN(C)C)CC2)CC1 ZINC000192441878 442646354 /nfs/dbraw/zinc/64/63/54/442646354.db2.gz TVAXTZUCLYXNNZ-UHFFFAOYSA-N 2 0 325.497 1.581 20 0 EDADRP CC[C@@H](C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000192231278 442619450 /nfs/dbraw/zinc/61/94/50/442619450.db2.gz BRJSNWLSTKNBLC-MSOLQXFVSA-N 2 0 333.476 1.734 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC[NH+]2CCCOCC2)C1 ZINC000187149941 442657292 /nfs/dbraw/zinc/65/72/92/442657292.db2.gz KMWOPPMZUTXJFY-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP COCCO[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192780202 442685697 /nfs/dbraw/zinc/68/56/97/442685697.db2.gz ZIZREXTWZOJGIF-SFHVURJKSA-N 2 0 327.513 1.530 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccccc1 ZINC000188181605 442721062 /nfs/dbraw/zinc/72/10/62/442721062.db2.gz OMMIKSURQGTUPP-KRWDZBQOSA-N 2 0 341.459 1.868 20 0 EDADRP C[NH+](C[C@@H]1CCCOC1)CC1(C[N@H+](C)C[C@@H]2CCCOC2)COC1 ZINC000182157874 442740860 /nfs/dbraw/zinc/74/08/60/442740860.db2.gz XCILETWLKUDQDI-ROUUACIJSA-N 2 0 340.508 1.720 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ncn1 ZINC000246497507 442786749 /nfs/dbraw/zinc/78/67/49/442786749.db2.gz SKLVSHHZLSPFBK-QKPAOTATSA-N 2 0 332.496 1.805 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182596745 442792579 /nfs/dbraw/zinc/79/25/79/442792579.db2.gz WAFUGNLRFVHLBK-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)C2(c3ccccc3)CC[NH2+]CC2)C[C@H]1C ZINC000246698933 442805492 /nfs/dbraw/zinc/80/54/92/442805492.db2.gz WCHSHBRRRNZMNQ-SJORKVTESA-N 2 0 345.487 1.221 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188768663 442809069 /nfs/dbraw/zinc/80/90/69/442809069.db2.gz DCAASZPKNXQBQM-ZDUSSCGKSA-N 2 0 333.480 1.686 20 0 EDADRP C[NH+](C)CCCOc1cccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)c1 ZINC000188770252 442809112 /nfs/dbraw/zinc/80/91/12/442809112.db2.gz KNSZJOUFBLSSQX-UHFFFAOYSA-N 2 0 343.431 1.638 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000182794814 442826787 /nfs/dbraw/zinc/82/67/87/442826787.db2.gz GWEMYFNVHOCMJE-AWEZNQCLSA-N 2 0 326.485 1.665 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247310207 442846872 /nfs/dbraw/zinc/84/68/72/442846872.db2.gz VIQPPEGQLJFUOC-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000194368901 442884716 /nfs/dbraw/zinc/88/47/16/442884716.db2.gz ZZNLMBIQFQNCBO-UHFFFAOYSA-N 2 0 345.491 1.831 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@H]1CCC[N@@H+]1C)[NH+]1CCOCC1 ZINC000195125154 442985224 /nfs/dbraw/zinc/98/52/24/442985224.db2.gz OKMNGYBWBZRMLU-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000252348597 443022459 /nfs/dbraw/zinc/02/24/59/443022459.db2.gz CUPYJADLOFPAFK-QZTJIDSGSA-N 2 0 332.492 1.800 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCCC[NH+]1CCCCC1 ZINC000185086054 443133905 /nfs/dbraw/zinc/13/39/05/443133905.db2.gz GNPVTTYKDVMCSJ-QGZVFWFLSA-N 2 0 339.528 1.188 20 0 EDADRP C[C@H](NC[C@@H](O)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268878625 443135077 /nfs/dbraw/zinc/13/50/77/443135077.db2.gz XCVFFGVLKNYUOZ-FUHWJXTLSA-N 2 0 335.492 1.734 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000236708755 443145632 /nfs/dbraw/zinc/14/56/32/443145632.db2.gz LBUIGHQJOOVDDE-KRWDZBQOSA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)CC1(O)CCCC1)c1ccccc1 ZINC000184989524 443112691 /nfs/dbraw/zinc/11/26/91/443112691.db2.gz JIZDMJBTROIIPL-QGZVFWFLSA-N 2 0 333.476 1.642 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)[C@H]1C[NH3+] ZINC000237449751 443171614 /nfs/dbraw/zinc/17/16/14/443171614.db2.gz ZYULGHHVTCSQED-ZBFHGGJFSA-N 2 0 331.464 1.033 20 0 EDADRP CCN(C)c1ccc(C[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cn1 ZINC000190744703 443175523 /nfs/dbraw/zinc/17/55/23/443175523.db2.gz KTQDNGKNNKGZMM-GOSISDBHSA-N 2 0 333.524 1.899 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)[C@H]2[NH2+]CCc3ccccc32)C[C@H](C)O1 ZINC000237611343 443177435 /nfs/dbraw/zinc/17/74/35/443177435.db2.gz DTULDOZTJJVOJU-DAYGRLMNSA-N 2 0 331.460 1.489 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000237138997 443161166 /nfs/dbraw/zinc/16/11/66/443161166.db2.gz GLURCGRAFGHKRE-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(CN3CCC[C@@H]3C(N)=O)c2)CC[NH2+]C1 ZINC000269226759 443240265 /nfs/dbraw/zinc/24/02/65/443240265.db2.gz AKFCCYKINJSXRR-CRAIPNDOSA-N 2 0 330.432 1.074 20 0 EDADRP COCC[NH2+]CC(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000262643126 443205857 /nfs/dbraw/zinc/20/58/57/443205857.db2.gz MBRMKRCGWMUDMF-MNZLEMJZSA-N 2 0 333.476 1.495 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262945888 443218052 /nfs/dbraw/zinc/21/80/52/443218052.db2.gz UZOJCNGPCZVWGN-QZTJIDSGSA-N 2 0 333.476 1.940 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000350935207 319080227 /nfs/dbraw/zinc/08/02/27/319080227.db2.gz VVFDELZCCDTISZ-OAHLLOKOSA-N 2 0 349.479 1.712 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000382653032 319124550 /nfs/dbraw/zinc/12/45/50/319124550.db2.gz BYEGJNSHFODILV-MJGOQNOKSA-N 2 0 335.492 1.132 20 0 EDADRP Cc1nn(C)c(C[NH2+]CC2(O)CC[NH+](C)CC2)c1Br ZINC000397553840 319135530 /nfs/dbraw/zinc/13/55/30/319135530.db2.gz HWRVSDMZDSTOMI-UHFFFAOYSA-N 2 0 331.258 1.037 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)[C@H]2CC[C@H](C)C2)CC1 ZINC000411645936 319191284 /nfs/dbraw/zinc/19/12/84/319191284.db2.gz LSRIYJRFHMIRSO-RDJZCZTQSA-N 2 0 325.497 1.458 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2C[C@@H](OC(C)C)C2(C)C)CC1 ZINC000411787239 319204188 /nfs/dbraw/zinc/20/41/88/319204188.db2.gz DNNPUPASBJHDKS-HZPDHXFCSA-N 2 0 325.497 1.769 20 0 EDADRP C[C@@H](CNC(=O)C1CC[NH+]([C@@H]2CCSC2)CC1)[N@H+](C)C1CC1 ZINC000411989409 319219388 /nfs/dbraw/zinc/21/93/88/319219388.db2.gz WVWHQQMVLJTPQL-XJKSGUPXSA-N 2 0 325.522 1.803 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000269261956 443256313 /nfs/dbraw/zinc/25/63/13/443256313.db2.gz WNTGEHKTXRVIKP-RDJZCZTQSA-N 2 0 344.459 1.465 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccc2F)C1 ZINC000413827990 319292749 /nfs/dbraw/zinc/29/27/49/319292749.db2.gz COENWQMTPLOUGU-INIZCTEOSA-N 2 0 336.455 1.993 20 0 EDADRP COC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CCCC1 ZINC000414189394 319318562 /nfs/dbraw/zinc/31/85/62/319318562.db2.gz JRHWHVHIMOSROE-GOSISDBHSA-N 2 0 339.524 1.578 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CC(C)(C)OC2(C)C)(N2CCOCC2)CC1 ZINC000414194131 319318960 /nfs/dbraw/zinc/31/89/60/319318960.db2.gz NJWRMRPQZPGNCK-MRXNPFEDSA-N 2 0 339.524 1.719 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000414661384 319337843 /nfs/dbraw/zinc/33/78/43/319337843.db2.gz PWSOEVNSUMSRLQ-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C)c1 ZINC000414677623 319340376 /nfs/dbraw/zinc/34/03/76/319340376.db2.gz UWFDMSSAWMCARH-UHFFFAOYSA-N 2 0 334.464 1.580 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCOC[C@H]2Cc2ccccc2)C1 ZINC000414679206 319340833 /nfs/dbraw/zinc/34/08/33/319340833.db2.gz RHSBMTXLANEGBC-QZTJIDSGSA-N 2 0 331.460 1.127 20 0 EDADRP C[C@H]1C[C@@H](C[NH+]2CCN(Cc3nccn3C(F)F)CC2)CC[NH2+]1 ZINC000414690312 319342705 /nfs/dbraw/zinc/34/27/05/319342705.db2.gz NEDLWZBHLUDWLX-KBPBESRZSA-N 2 0 327.423 1.784 20 0 EDADRP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000414776587 319343909 /nfs/dbraw/zinc/34/39/09/319343909.db2.gz FTHTUWHWSGXTPJ-CQSZACIVSA-N 2 0 338.883 1.942 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000415234294 319354782 /nfs/dbraw/zinc/35/47/82/319354782.db2.gz XUHQOHPOTFQNGX-UONOGXRCSA-N 2 0 334.464 1.881 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415236384 319355092 /nfs/dbraw/zinc/35/50/92/319355092.db2.gz FLGVBGZHWRXMDP-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1 ZINC000415904581 319383184 /nfs/dbraw/zinc/38/31/84/319383184.db2.gz GMXLRTHHISEHTF-CABCVRRESA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)Nc1cnc(N2CC[NH2+]CC2)nc1 ZINC000415957004 319384770 /nfs/dbraw/zinc/38/47/70/319384770.db2.gz SNWMRGZMEUZRKY-UHFFFAOYSA-N 2 0 349.483 1.128 20 0 EDADRP C[C@H](C(=O)N(C)Cc1ccccc1)N1CCN(c2nccn2C)CC1 ZINC000266885850 443279708 /nfs/dbraw/zinc/27/97/08/443279708.db2.gz BJTLTPRLSNLOFT-MRXNPFEDSA-N 2 0 341.459 1.589 20 0 EDADRP CC[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[NH+](CC)CC ZINC000266838012 443262503 /nfs/dbraw/zinc/26/25/03/443262503.db2.gz OHYZZXONCVZDRI-KRWDZBQOSA-N 2 0 347.507 1.570 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+]1CCCC1 ZINC000416851787 319466679 /nfs/dbraw/zinc/46/66/79/319466679.db2.gz RMOBHSSJCOFENP-GOEBONIOSA-N 2 0 334.464 1.869 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416903595 319470356 /nfs/dbraw/zinc/47/03/56/319470356.db2.gz NJLXZZGJCMTABW-HDICACEKSA-N 2 0 328.460 1.643 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000419131831 319559504 /nfs/dbraw/zinc/55/95/04/319559504.db2.gz GZQCDJQFMAWCEW-KKUMJFAQSA-N 2 0 340.512 1.197 20 0 EDADRP Cc1cccc2nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc(=O)n12 ZINC000420315408 319609498 /nfs/dbraw/zinc/60/94/98/319609498.db2.gz MCDUCZAAEMPLMY-MRXNPFEDSA-N 2 0 326.444 1.824 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)C(=O)NCCF ZINC000282731983 443418535 /nfs/dbraw/zinc/41/85/35/443418535.db2.gz MQCGJXJGPTVTFA-UONOGXRCSA-N 2 0 325.428 1.752 20 0 EDADRP CCOCCN1CCN(C(=O)NCc2cn3ccc(C)cc3n2)CC1 ZINC000264817032 443438993 /nfs/dbraw/zinc/43/89/93/443438993.db2.gz XCBGWKCELCMXIR-UHFFFAOYSA-N 2 0 345.447 1.506 20 0 EDADRP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422730696 319734210 /nfs/dbraw/zinc/73/42/10/319734210.db2.gz FGTVRNFXVIBBDT-IXDOHACOSA-N 2 0 335.517 1.853 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000423023594 319746691 /nfs/dbraw/zinc/74/66/91/319746691.db2.gz HQIKPDWILOSKBT-QAPCUYQASA-N 3 0 349.523 1.592 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000423037826 319748690 /nfs/dbraw/zinc/74/86/90/319748690.db2.gz CBZYWJFXLAHZHT-OAHLLOKOSA-N 3 0 325.497 1.629 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H]3CCCCN3C2=O)CC[NH2+]CC1 ZINC000423161287 319753716 /nfs/dbraw/zinc/75/37/16/319753716.db2.gz IPLGKYWCLBNHRZ-ZNMIVQPWSA-N 2 0 337.464 1.051 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423363980 319767190 /nfs/dbraw/zinc/76/71/90/319767190.db2.gz CFJGLGWZYOFSBI-DVOMOZLQSA-N 2 0 325.478 1.586 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423402198 319771595 /nfs/dbraw/zinc/77/15/95/319771595.db2.gz WNMUDSLPYRKGCW-NWANDNLSSA-N 2 0 325.478 1.857 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)N1CCOCC1 ZINC000425904729 319875465 /nfs/dbraw/zinc/87/54/65/319875465.db2.gz ZWUPPGRCEUOCDV-SFHVURJKSA-N 2 0 336.480 1.588 20 0 EDADRP Cc1nccn1C[C@H]1CCCN1C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433139117 319971149 /nfs/dbraw/zinc/97/11/49/319971149.db2.gz VQVGCIFZIGUNRY-QGZVFWFLSA-N 2 0 333.480 1.386 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000433884877 319988331 /nfs/dbraw/zinc/98/83/31/319988331.db2.gz WUUXJBBORLBNQK-HNNXBMFYSA-N 2 0 325.478 1.463 20 0 EDADRP CN1CCC(CNC(=O)[C@H]2C[C@]23CC[NH2+]C3)([NH+]2CCCCC2)CC1 ZINC000444268281 320123627 /nfs/dbraw/zinc/12/36/27/320123627.db2.gz MHSJHLGIJNOTGJ-AEFFLSMTSA-N 2 0 334.508 1.053 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N[C@@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000447442905 320142070 /nfs/dbraw/zinc/14/20/70/320142070.db2.gz SUHSFLPLCBFQHX-MSOLQXFVSA-N 2 0 347.503 1.939 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000449508905 320193298 /nfs/dbraw/zinc/19/32/98/320193298.db2.gz IERIBNMXVFBAEB-ZVDOUQERSA-N 2 0 335.451 1.871 20 0 EDADRP C[NH+](C)CCCC(C)(C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000457628277 320331922 /nfs/dbraw/zinc/33/19/22/320331922.db2.gz ANBYURDRPMCWLP-UHFFFAOYSA-N 2 0 341.544 1.432 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)[NH+]1CCC[C@@H](C)C1 ZINC000457724542 320333519 /nfs/dbraw/zinc/33/35/19/320333519.db2.gz YTUCKYIFEXHHDK-BRWVUGGUSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCCC[C@H]1C ZINC000457724560 320333647 /nfs/dbraw/zinc/33/36/47/320333647.db2.gz ZANORGKDIKHMFQ-IXDOHACOSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC[N@@H+](C2CC2)C1 ZINC000458708555 320338888 /nfs/dbraw/zinc/33/88/88/320338888.db2.gz RIAWEAKUVNCCGV-HNNXBMFYSA-N 2 0 334.508 1.987 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCC[NH+]2CCCOCC2)C[C@@H]1C ZINC000458853126 320343242 /nfs/dbraw/zinc/34/32/42/320343242.db2.gz WFKXBGUIVLRNLZ-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+]2C[C@H](OC)[C@@H](OC)C2)CC1 ZINC000488543720 320358520 /nfs/dbraw/zinc/35/85/20/320358520.db2.gz KEXPRCPWGWBHMZ-OALUTQOASA-N 2 0 333.476 1.674 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000489330996 320359095 /nfs/dbraw/zinc/35/90/95/320359095.db2.gz PSYFCOJTJOUBBL-MHORFTMASA-N 2 0 339.524 1.919 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1CC(F)(F)C1 ZINC000490844895 320363437 /nfs/dbraw/zinc/36/34/37/320363437.db2.gz DBCULVWBRLFBJY-UHFFFAOYSA-N 2 0 334.455 1.947 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(CCc2c(C)nc3sccn3c2=O)C1 ZINC000286297856 443685388 /nfs/dbraw/zinc/68/53/88/443685388.db2.gz GJPUGAOJEWNONQ-CQSZACIVSA-N 2 0 334.489 1.881 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000286307935 443687153 /nfs/dbraw/zinc/68/71/53/443687153.db2.gz XUHANEFJFONNNM-CQSZACIVSA-N 2 0 325.403 1.855 20 0 EDADRP CCS(=O)(=O)N(C)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298515843 443788729 /nfs/dbraw/zinc/78/87/29/443788729.db2.gz RFNVCWSENZCDOT-UHFFFAOYSA-N 2 0 340.493 1.312 20 0 EDADRP C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)[NH+](C)C)c1)[NH+](C)C ZINC000298626684 443822128 /nfs/dbraw/zinc/82/21/28/443822128.db2.gz SEXKILVESNWXQM-OKILXGFUSA-N 2 0 334.464 1.046 20 0 EDADRP COCC[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298794519 443870660 /nfs/dbraw/zinc/87/06/60/443870660.db2.gz UIUTXJBJWDHKJX-QGZVFWFLSA-N 2 0 335.492 1.970 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCCCNc2ccccn2)CC1(C)C ZINC000281620679 443960611 /nfs/dbraw/zinc/96/06/11/443960611.db2.gz HNFVDNVMDMQCGQ-UHFFFAOYSA-N 2 0 348.495 1.209 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H](O)C(F)(F)F ZINC000285403740 443971026 /nfs/dbraw/zinc/97/10/26/443971026.db2.gz IOVNYTCOGCEDLI-MRXNPFEDSA-N 2 0 345.409 1.659 20 0 EDADRP CCOC(=O)CCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285406611 443973859 /nfs/dbraw/zinc/97/38/59/443973859.db2.gz BDZCONKWBWTJMS-IBGZPJMESA-N 2 0 345.487 1.832 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000299246403 443994272 /nfs/dbraw/zinc/99/42/72/443994272.db2.gz MRUJYSCVDAQCHX-MRXNPFEDSA-N 2 0 334.464 1.980 20 0 EDADRP OC[C@@H]1CCCCN1c1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ncn1 ZINC000277300304 443956991 /nfs/dbraw/zinc/95/69/91/443956991.db2.gz BWCHXARKLPBVAO-CVEARBPZSA-N 2 0 329.448 1.278 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2)N1CC[NH+](C)CC1 ZINC000285497622 444007249 /nfs/dbraw/zinc/00/72/49/444007249.db2.gz AAGIKBQQELHTBL-KGLIPLIRSA-N 2 0 332.448 1.304 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1ccc(-n2cccn2)cc1 ZINC000561178703 321035309 /nfs/dbraw/zinc/03/53/09/321035309.db2.gz SROSYIJCKNRZNU-APWZRJJASA-N 2 0 343.475 1.131 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[NH+]1CC(C)C1 ZINC000561225837 321037535 /nfs/dbraw/zinc/03/75/35/321037535.db2.gz SKEQZAXYOJBOHL-INIZCTEOSA-N 2 0 345.487 1.600 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCOC2(C[NH2+]C2)C1)c1ccc2ccccc2c1 ZINC000562817153 321078548 /nfs/dbraw/zinc/07/85/48/321078548.db2.gz UHWRCNYBDSJQMQ-QGZVFWFLSA-N 2 0 340.427 1.223 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000563883898 321114247 /nfs/dbraw/zinc/11/42/47/321114247.db2.gz YFERCDYGAIVFOO-RDTXWAMCSA-N 2 0 349.450 1.783 20 0 EDADRP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000564825452 321150550 /nfs/dbraw/zinc/15/05/50/321150550.db2.gz IJGKEKCUYOTPLG-PASDCYSWSA-N 2 0 329.444 1.747 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC1 ZINC000564865149 321153331 /nfs/dbraw/zinc/15/33/31/321153331.db2.gz WZIACARPWZPMDR-UYAOXDASSA-N 2 0 346.519 1.101 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000566107553 321215831 /nfs/dbraw/zinc/21/58/31/321215831.db2.gz MZCHNVXVWNFQCA-QAPCUYQASA-N 2 0 349.475 1.706 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000566907838 321235999 /nfs/dbraw/zinc/23/59/99/321235999.db2.gz UWNAODLOLQWPRI-LJQANCHMSA-N 2 0 347.503 1.991 20 0 EDADRP CC[C@@H](NC(=O)C1CC[NH+](C2CCN(CC)CC2)CC1)[C@@H](O)CC ZINC000568293900 321287073 /nfs/dbraw/zinc/28/70/73/321287073.db2.gz WYAAQYYDAVMQST-MSOLQXFVSA-N 2 0 339.524 1.848 20 0 EDADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000570509848 321343596 /nfs/dbraw/zinc/34/35/96/321343596.db2.gz OWTINYDDQFQSHX-WMZOPIPTSA-N 2 0 334.460 1.950 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000570616760 321350013 /nfs/dbraw/zinc/35/00/13/321350013.db2.gz HKEBMVUXHZKKAO-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCCC1 ZINC000570665828 321353079 /nfs/dbraw/zinc/35/30/79/321353079.db2.gz YGHRRNPOMHZCOY-HPFXQQBRSA-N 2 0 344.459 1.349 20 0 EDADRP Cc1ccccc1C(=O)NC1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000289339913 444111789 /nfs/dbraw/zinc/11/17/89/444111789.db2.gz JBLBNILCNHBBPO-SFHVURJKSA-N 2 0 345.487 1.644 20 0 EDADRP COc1cccc([C@@H](C)N2CCN(C(=O)C[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000285854387 444129603 /nfs/dbraw/zinc/12/96/03/444129603.db2.gz XYYVIBIPNWWWPY-NVXWUHKLSA-N 2 0 347.459 1.279 20 0 EDADRP COc1cccc(NC(=O)CN(C)CCC[N@H+](C)CCN(C)C)c1 ZINC000289515150 444163050 /nfs/dbraw/zinc/16/30/50/444163050.db2.gz VHQARTKYPYHOGR-UHFFFAOYSA-N 2 0 336.480 1.449 20 0 EDADRP CC1CC[NH+](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000574503574 321486697 /nfs/dbraw/zinc/48/66/97/321486697.db2.gz LCJBWAQCSOPCKJ-ZWKOTPCHSA-N 2 0 330.476 1.773 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(c2cc(N3CCC[C@@H](CO)C3)ncn2)C1 ZINC000301570823 444179771 /nfs/dbraw/zinc/17/97/71/444179771.db2.gz WVPDLXITJFBHGK-HZPDHXFCSA-N 2 0 333.480 1.463 20 0 EDADRP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000295749639 444192462 /nfs/dbraw/zinc/19/24/62/444192462.db2.gz NPLBPNFOQMWXHD-UHOSZYNNSA-N 2 0 336.476 1.511 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)c2conc2C(C)(C)[NH3+])c1 ZINC000576647478 321584207 /nfs/dbraw/zinc/58/42/07/321584207.db2.gz DUQGXGHMUFUILO-UHFFFAOYSA-N 2 0 346.431 1.739 20 0 EDADRP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H]1CO)[NH+]1CCCCCC1 ZINC000305144217 444260985 /nfs/dbraw/zinc/26/09/85/444260985.db2.gz XOOYFYLBRAUFLS-DLBZAZTESA-N 2 0 325.497 1.604 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000305174193 444262760 /nfs/dbraw/zinc/26/27/60/444262760.db2.gz QLPCIHKBXRBSGD-KRWDZBQOSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)CN1CCOCC1 ZINC000305194826 444263947 /nfs/dbraw/zinc/26/39/47/444263947.db2.gz YYUMEBQXQNKVDA-LJQANCHMSA-N 2 0 339.524 1.456 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000297020167 444268677 /nfs/dbraw/zinc/26/86/77/444268677.db2.gz IBOQEEZKFOFPGG-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000290103399 444243050 /nfs/dbraw/zinc/24/30/50/444243050.db2.gz IERHOMCXERQZAC-NVXWUHKLSA-N 2 0 331.464 1.406 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)[C@@H](C)C1 ZINC000305767724 444279469 /nfs/dbraw/zinc/27/94/69/444279469.db2.gz INGGZPHZWPLPLI-FFGOWVMKSA-N 2 0 331.504 1.942 20 0 EDADRP COCC[N@H+](C)C[C@@H](O)CN1CC[NH+](Cc2ccccc2)C[C@H](C)C1 ZINC000323510108 444343581 /nfs/dbraw/zinc/34/35/81/444343581.db2.gz YIFCIZNUQYNJKQ-AZUAARDMSA-N 2 0 349.519 1.379 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000578191322 321735778 /nfs/dbraw/zinc/73/57/78/321735778.db2.gz AXYRZOITDHRYAK-GOSISDBHSA-N 2 0 348.491 1.471 20 0 EDADRP CC[C@H](C)[C@@H](NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)C(=O)OC ZINC000324776529 444357509 /nfs/dbraw/zinc/35/75/09/444357509.db2.gz GIEFCHZJJURNGZ-YSVLISHTSA-N 2 0 339.480 1.154 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000320726323 444331824 /nfs/dbraw/zinc/33/18/24/444331824.db2.gz MTWYEZCASJOYKW-GFCCVEGCSA-N 2 0 339.823 1.356 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1 ZINC000297795214 444335602 /nfs/dbraw/zinc/33/56/02/444335602.db2.gz MZDJQKSZYTWWOL-QGZVFWFLSA-N 2 0 348.491 1.759 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N1CCC[NH2+]CC1)c1ccccc1 ZINC000337804389 444414955 /nfs/dbraw/zinc/41/49/55/444414955.db2.gz GUISGJMWEAYOCF-KRWDZBQOSA-N 2 0 346.475 1.008 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000340506097 444415276 /nfs/dbraw/zinc/41/52/76/444415276.db2.gz SNHUKIXTAPEFCQ-UIAACRFSSA-N 2 0 329.488 1.478 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(NC(=O)[C@@H]([NH3+])C3CCC3)c2)CC1 ZINC000579468400 321938416 /nfs/dbraw/zinc/93/84/16/321938416.db2.gz FOLLHBYLZPGELT-KRWDZBQOSA-N 2 0 344.459 1.450 20 0 EDADRP COC[C@@H]1CCN(C(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)C1 ZINC000337832557 444429003 /nfs/dbraw/zinc/42/90/03/444429003.db2.gz SSKBROFSOFZCDK-OAHLLOKOSA-N 2 0 326.485 1.033 20 0 EDADRP C[N@H+](CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCSC1 ZINC000340726548 444490515 /nfs/dbraw/zinc/49/05/15/444490515.db2.gz LSXYMKRXYTXTQZ-DLBZAZTESA-N 2 0 333.501 1.814 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000581777590 322219577 /nfs/dbraw/zinc/21/95/77/322219577.db2.gz XZFVDLSFQZVUKH-RYQLBKOJSA-N 2 0 348.466 1.912 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CC[C@@H](C)C2)[C@H](C)C1 ZINC000581952612 322237908 /nfs/dbraw/zinc/23/79/08/322237908.db2.gz PSIDREBYSGZFHE-ZACQAIPSSA-N 2 0 325.497 1.581 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)c2)C1 ZINC000582013525 322245631 /nfs/dbraw/zinc/24/56/31/322245631.db2.gz OIULNMHNOJXEKO-QYZOEREBSA-N 3 0 344.503 1.743 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCCO[C@@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000332372918 444511961 /nfs/dbraw/zinc/51/19/61/444511961.db2.gz SRCTYHIIVBUCGK-HLLBOEOZSA-N 2 0 326.485 1.256 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343766624 444576350 /nfs/dbraw/zinc/57/63/50/444576350.db2.gz FZGVCSNWUGOKHJ-XYTVBORESA-N 2 0 349.519 1.818 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)C1 ZINC000343834440 444618407 /nfs/dbraw/zinc/61/84/07/444618407.db2.gz QLFVYJLYVWQHEF-NUIAMIPMSA-N 2 0 349.519 1.675 20 0 EDADRP C[C@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000333399974 444664726 /nfs/dbraw/zinc/66/47/26/444664726.db2.gz YPMBIGIEKIHBPP-AWEZNQCLSA-N 2 0 346.475 1.641 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000333432146 444668173 /nfs/dbraw/zinc/66/81/73/444668173.db2.gz UTQWAUNYSPUAIA-OAHLLOKOSA-N 2 0 340.537 1.871 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000341099266 444673772 /nfs/dbraw/zinc/67/37/72/444673772.db2.gz ZLHRIUWJTNUVQL-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCC[C@@H]2C(C)C)C1 ZINC000343937819 444681591 /nfs/dbraw/zinc/68/15/91/444681591.db2.gz QGMGUMMLFPFHJM-ZWKOTPCHSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000333830318 444701597 /nfs/dbraw/zinc/70/15/97/444701597.db2.gz MLJHDFFRGCDNIP-UXLLHSPISA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)NC[C@@H]3CCC[NH2+]3)CC2)C[C@@H](C)O1 ZINC000333830316 444701627 /nfs/dbraw/zinc/70/16/27/444701627.db2.gz MLJHDFFRGCDNIP-INMHGKMJSA-N 2 0 338.496 1.269 20 0 EDADRP CC[N@H+](CCNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1)C1CC1 ZINC000338463390 444707448 /nfs/dbraw/zinc/70/74/48/444707448.db2.gz RQXRQKXNSKBZMU-HLLBOEOZSA-N 2 0 325.497 1.721 20 0 EDADRP CN(C)c1nccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000341179560 444712875 /nfs/dbraw/zinc/71/28/75/444712875.db2.gz PTEFTMRQLBKCRL-UHFFFAOYSA-N 2 0 333.480 1.477 20 0 EDADRP C[C@@H](C(=O)N1C[C@H](C)C[C@@H](C)C1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344046915 444748127 /nfs/dbraw/zinc/74/81/27/444748127.db2.gz XZPIARMXNASZQN-KURKYZTESA-N 2 0 340.556 1.695 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000336793780 444796943 /nfs/dbraw/zinc/79/69/43/444796943.db2.gz YIMXZNZKLJHVOS-DYXWJJEUSA-N 2 0 343.515 1.895 20 0 EDADRP C[N@H+](CCCN1C(=O)c2ccccc2C1=O)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000336878574 444825002 /nfs/dbraw/zinc/82/50/02/444825002.db2.gz GNCIWNIXIGKDBH-YIONKMFJSA-N 2 0 327.428 1.888 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000342764270 444854627 /nfs/dbraw/zinc/85/46/27/444854627.db2.gz HARMNIPRNBGTCE-HZSPNIEDSA-N 2 0 327.469 1.140 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC2CC[NH2+]CC2)C1 ZINC000342708846 444827410 /nfs/dbraw/zinc/82/74/10/444827410.db2.gz OFVRYDASBFWIGX-SFHVURJKSA-N 2 0 345.487 1.679 20 0 EDADRP C[C@H](C(=O)NCCCC[NH+]1CCC[C@H]1CO)[N@H+](C)Cc1ccccc1 ZINC000342954989 444964761 /nfs/dbraw/zinc/96/47/61/444964761.db2.gz DDWVUXFJVNHTFY-MJGOQNOKSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C[NH+]1CCCC1 ZINC000344544655 445048935 /nfs/dbraw/zinc/04/89/35/445048935.db2.gz RNUYMDXPRGWTNY-IRXDYDNUSA-N 2 0 340.512 1.110 20 0 EDADRP COC(=O)C1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)CC1 ZINC000330718444 445110295 /nfs/dbraw/zinc/11/02/95/445110295.db2.gz ATNYTRIDNPJASF-CQSZACIVSA-N 2 0 339.480 1.060 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651423 445187571 /nfs/dbraw/zinc/18/75/71/445187571.db2.gz KIWXGJPTGMWICF-HZPDHXFCSA-N 2 0 326.485 1.127 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)N[C@@H](C)C[NH+]2CCCCC2)[N@H+](C)C1 ZINC000346182826 445207870 /nfs/dbraw/zinc/20/78/70/445207870.db2.gz DXXYGNJBGGBHPH-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP Cn1nccc1[C@H]1OCC[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343363020 445210448 /nfs/dbraw/zinc/21/04/48/445210448.db2.gz GBUZQXQBMZFAGH-QAPCUYQASA-N 2 0 335.496 1.113 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC000345760088 445198630 /nfs/dbraw/zinc/19/86/30/445198630.db2.gz MQIZGBJLZKZOCG-DZKIICNBSA-N 2 0 328.526 1.548 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)CC[NH+](C)C)CC[N@@H+]1CCOC ZINC000347074992 445230959 /nfs/dbraw/zinc/23/09/59/445230959.db2.gz SWRRUGODGBIYGD-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347207186 445234365 /nfs/dbraw/zinc/23/43/65/445234365.db2.gz MMTWAMSJOUQNIJ-AWEZNQCLSA-N 2 0 333.480 1.351 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)[C@H]1C[NH+]2CCN1CCC2 ZINC000343529565 445239504 /nfs/dbraw/zinc/23/95/04/445239504.db2.gz UCKYFLOFBAXLLS-FUHWJXTLSA-N 2 0 330.476 1.013 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NCCCC[NH+]1CCOCC1 ZINC000351639258 445253067 /nfs/dbraw/zinc/25/30/67/445253067.db2.gz YZODBQGOQKARPT-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000347887450 445254088 /nfs/dbraw/zinc/25/40/88/445254088.db2.gz HYCZDQJFAXQMSE-AHCXZYCDSA-N 2 0 337.508 1.815 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CN(C)C[C@H]2C)CC1 ZINC000343604537 445260127 /nfs/dbraw/zinc/26/01/27/445260127.db2.gz KURXASUKARQATD-YLJYHZDGSA-N 2 0 330.520 1.864 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000343631170 445271322 /nfs/dbraw/zinc/27/13/22/445271322.db2.gz NKWBFSYMTOYPHV-HOTGVXAUSA-N 2 0 327.513 1.874 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000351700174 445279172 /nfs/dbraw/zinc/27/91/72/445279172.db2.gz PXYNMDPMAXHPOE-HNNXBMFYSA-N 2 0 328.501 1.326 20 0 EDADRP C[N@H+](CCCNC(=O)CCNC(=O)[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000354681863 445338830 /nfs/dbraw/zinc/33/88/30/445338830.db2.gz AVYPYKKPYWFKNT-MRXNPFEDSA-N 2 0 338.496 1.016 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCC[N@H+](C)C(C)C)C1 ZINC000351890388 445357601 /nfs/dbraw/zinc/35/76/01/445357601.db2.gz XTBQBNNJEXQJQC-MRXNPFEDSA-N 2 0 328.501 1.469 20 0 EDADRP CN1CCO[C@H](C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000359660793 445362256 /nfs/dbraw/zinc/36/22/56/445362256.db2.gz XDWWVRXCPRLIRB-OTWHNJEPSA-N 2 0 343.471 1.298 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2Cc1cnn(CC(F)F)c1 ZINC000351807061 445327778 /nfs/dbraw/zinc/32/77/78/445327778.db2.gz GQMRELZIQIPCKR-RBSFLKMASA-N 2 0 328.407 1.832 20 0 EDADRP C[C@H]1C[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1O ZINC000351960794 445401390 /nfs/dbraw/zinc/40/13/90/445401390.db2.gz WIPKKWGSXFGIGD-MAUKXSAKSA-N 2 0 331.460 1.211 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)N[C@@H]1CCOc2ccccc21 ZINC000357081389 445414306 /nfs/dbraw/zinc/41/43/06/445414306.db2.gz GTRVBWHWSIWPBT-SJLPKXTDSA-N 2 0 343.471 1.948 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NCCc1ccc(F)cc1 ZINC000357089227 445420792 /nfs/dbraw/zinc/42/07/92/445420792.db2.gz YRQZFKPZTIQWEP-KRWDZBQOSA-N 2 0 333.451 1.806 20 0 EDADRP CCC[N@H+](CCOCC[NH3+])C1CCN(C(=O)c2ccccc2)CC1 ZINC000357104449 445430255 /nfs/dbraw/zinc/43/02/55/445430255.db2.gz MBZOVJCPSUNJSM-UHFFFAOYSA-N 2 0 333.476 1.979 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21)c1ccccc1 ZINC000354789806 445390586 /nfs/dbraw/zinc/39/05/86/445390586.db2.gz MABFFPFBIMAYNN-GBESFXJTSA-N 2 0 345.487 1.906 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000359732797 445397159 /nfs/dbraw/zinc/39/71/59/445397159.db2.gz KUJYOLIIUJDHIJ-MRXNPFEDSA-N 2 0 340.512 1.166 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000362564726 445442656 /nfs/dbraw/zinc/44/26/56/445442656.db2.gz NOLWEUXHUAHSLU-HNNXBMFYSA-N 2 0 331.464 1.435 20 0 EDADRP COCC(C)(C)C[NH+]1CCC(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000348935449 445448332 /nfs/dbraw/zinc/44/83/32/445448332.db2.gz PTWJKRPDAAPROL-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000355255125 445452049 /nfs/dbraw/zinc/45/20/49/445452049.db2.gz PDIYMXWGSHZPAK-CVEARBPZSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCC[NH+](C)C2CCCC2)C1 ZINC000355458421 445462670 /nfs/dbraw/zinc/46/26/70/445462670.db2.gz UXVZBFSMCZHOEO-KRWDZBQOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000362746245 445529759 /nfs/dbraw/zinc/52/97/59/445529759.db2.gz SYJPCUCGWWNBED-CRAIPNDOSA-N 2 0 333.476 1.831 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)oc(=O)n2C)N1CC[NH+](C)CC1 ZINC000352102322 445493349 /nfs/dbraw/zinc/49/33/49/445493349.db2.gz LRTYCLUJMUGOTO-KRWDZBQOSA-N 2 0 346.475 1.493 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNc2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000362821066 445564804 /nfs/dbraw/zinc/56/48/04/445564804.db2.gz UTYLEMSSENSCGM-HNNXBMFYSA-N 2 0 335.496 2.435 20 0 EDADRP COCC[NH+](CCOC)C1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000353021367 445571820 /nfs/dbraw/zinc/57/18/20/445571820.db2.gz JPFSZVARYKCFQX-GOSISDBHSA-N 3 0 341.540 1.920 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356040467 445585593 /nfs/dbraw/zinc/58/55/93/445585593.db2.gz SRLLVHYXRHCUIR-QFBILLFUSA-N 2 0 348.491 1.263 20 0 EDADRP Cc1cc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)n(C(C)(C)C)n1 ZINC000358515736 445627557 /nfs/dbraw/zinc/62/75/57/445627557.db2.gz NLWJOBVVUDGRSB-UHFFFAOYSA-N 2 0 333.480 1.961 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000362878419 445593087 /nfs/dbraw/zinc/59/30/87/445593087.db2.gz VWTFWVHTTHVRKU-KSSFIOAISA-N 2 0 331.460 1.780 20 0 EDADRP CCC[N@H+](C)CC(=O)NCCC[NH+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000358590839 445665426 /nfs/dbraw/zinc/66/54/26/445665426.db2.gz MAOSXBBLEDAQTD-LJQANCHMSA-N 2 0 346.519 1.823 20 0 EDADRP C[NH+](C)C[C@H](O)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000358580344 445660500 /nfs/dbraw/zinc/66/05/00/445660500.db2.gz XKYAMRJVTSDNBF-YSTOQKLRSA-N 2 0 331.504 1.799 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000358652169 445695433 /nfs/dbraw/zinc/69/54/33/445695433.db2.gz SGFYRYSQFATKPP-KRWDZBQOSA-N 2 0 336.480 1.002 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000356284254 445717316 /nfs/dbraw/zinc/71/73/16/445717316.db2.gz SVZFUXHEQCYBAL-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000358694326 445721421 /nfs/dbraw/zinc/72/14/21/445721421.db2.gz QCKFNMJXRWGNRD-IAGOWNOFSA-N 3 0 345.491 1.098 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)NC[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358697549 445724237 /nfs/dbraw/zinc/72/42/37/445724237.db2.gz WGXSCQVDKZBXNC-IBGZPJMESA-N 2 0 348.491 1.394 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(O)CC[NH+](C)C1 ZINC000358708699 445732959 /nfs/dbraw/zinc/73/29/59/445732959.db2.gz QRCZMHGBDNFCIX-RDJZCZTQSA-N 2 0 326.485 1.007 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000363235156 445733879 /nfs/dbraw/zinc/73/38/79/445733879.db2.gz YWPIXCIKTONTAG-YJBOKZPZSA-N 2 0 345.491 1.685 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@H+]3CC=CCC3)cc2)CC1 ZINC000350072870 445762354 /nfs/dbraw/zinc/76/23/54/445762354.db2.gz HKVAZFQPYODQED-UHFFFAOYSA-N 2 0 342.487 1.820 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000350077452 445762986 /nfs/dbraw/zinc/76/29/86/445762986.db2.gz RSOSEQYOZAKISV-KRWDZBQOSA-N 2 0 341.544 1.242 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353805231 445763849 /nfs/dbraw/zinc/76/38/49/445763849.db2.gz BKHVRVLUEWFHIK-RBUKOAKNSA-N 2 0 342.487 1.798 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000358863910 445817723 /nfs/dbraw/zinc/81/77/23/445817723.db2.gz WHHOOLYAWBWBSN-QGZVFWFLSA-N 2 0 336.455 1.012 20 0 EDADRP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353944230 445821925 /nfs/dbraw/zinc/82/19/25/445821925.db2.gz QUASFJNKOKVEBV-MYSGWJLTSA-N 2 0 340.537 1.690 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCCCCC2)C1 ZINC000350153118 445781572 /nfs/dbraw/zinc/78/15/72/445781572.db2.gz LBAZKMGYKGURSW-KRWDZBQOSA-N 2 0 325.497 1.822 20 0 EDADRP CC1(C)CC(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC(C)(C)[NH2+]1 ZINC000363390711 445784992 /nfs/dbraw/zinc/78/49/92/445784992.db2.gz VNOMFKFEBSVVEK-GJZGRUSLSA-N 2 0 338.496 1.458 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000358814948 445789337 /nfs/dbraw/zinc/78/93/37/445789337.db2.gz PRVFXHBJDFFGDP-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356453052 445797682 /nfs/dbraw/zinc/79/76/82/445797682.db2.gz NUPADBURPOSMEW-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP [NH2+]=C(NC[C@H](O)C[NH+]1CCCCC1)N[C@@H]1CCOc2ccccc21 ZINC000363432169 445800921 /nfs/dbraw/zinc/80/09/21/445800921.db2.gz FYKURMZFNQXDGA-GOEBONIOSA-N 2 0 332.448 1.471 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](C[NH3+])c3ccc(F)cc3)CC2)CCO1 ZINC000358856981 445813774 /nfs/dbraw/zinc/81/37/74/445813774.db2.gz OPVDVDNDKFBCOB-RDTXWAMCSA-N 2 0 349.450 1.580 20 0 EDADRP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000356707492 445954975 /nfs/dbraw/zinc/95/49/75/445954975.db2.gz YGWHLLOAMZHFPH-OAHLLOKOSA-N 2 0 333.476 1.473 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]([NH3+])CCC(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000373057238 445998556 /nfs/dbraw/zinc/99/85/56/445998556.db2.gz JXWAMCVYNHQQRO-HYVNUMGLSA-N 2 0 346.475 1.091 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@H]2Cn2ccnn2)CC1 ZINC000369184825 445977073 /nfs/dbraw/zinc/97/70/73/445977073.db2.gz SCNCFSGVVKYFJD-SFHVURJKSA-N 2 0 334.512 1.549 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@H]3CCc4[nH]cnc4C3)CC2)CCO1 ZINC000366115196 446022052 /nfs/dbraw/zinc/02/20/52/446022052.db2.gz IIQHIZQZVHNFNL-KGLIPLIRSA-N 2 0 347.463 1.162 20 0 EDADRP CCN(CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(C)c1 ZINC000582840629 325939932 /nfs/dbraw/zinc/93/99/32/325939932.db2.gz DNSXCZAWBDEWSH-LJQANCHMSA-N 2 0 334.508 1.019 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000361886952 446040077 /nfs/dbraw/zinc/04/00/77/446040077.db2.gz BFAAHZUAOCAQAC-IZBJGVDFSA-N 2 0 331.504 1.942 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583742708 326130074 /nfs/dbraw/zinc/13/00/74/326130074.db2.gz UYAQQYLVWNFZMR-NJAFHUGGSA-N 2 0 330.476 1.806 20 0 EDADRP COc1ccc(CN2CC[C@@H]([NH2+]C3CCC(C[NH3+])CC3)C2=O)cc1 ZINC000583919417 326165127 /nfs/dbraw/zinc/16/51/27/326165127.db2.gz RCQMLBKOQMYPMI-JFUPDXTOSA-N 2 0 331.460 1.903 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000365266791 446113497 /nfs/dbraw/zinc/11/34/97/446113497.db2.gz LSXYNBYNEXFVFN-LTIDMASMSA-N 2 0 336.476 1.951 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000359284511 446120085 /nfs/dbraw/zinc/12/00/85/446120085.db2.gz HBUVZPWVUOMYFA-HRCADAONSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H]([NH2+]CCNc1cnccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000361980570 446124824 /nfs/dbraw/zinc/12/48/24/446124824.db2.gz LCDUQPBYQNKMMG-OAHLLOKOSA-N 2 0 329.448 2.180 20 0 EDADRP CCN1CCO[C@@H](C(=O)N2CCC[N@H+](CC3CCCCC3)CC2)C1 ZINC000369679322 446146458 /nfs/dbraw/zinc/14/64/58/446146458.db2.gz GKVVVLVPTNLNDJ-GOSISDBHSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000366319944 446147646 /nfs/dbraw/zinc/14/76/46/446147646.db2.gz CXUBPMIXPKIULU-SFHVURJKSA-N 2 0 338.540 1.624 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCCC[NH2+]3)CC2)CC1 ZINC000366328444 446155998 /nfs/dbraw/zinc/15/59/98/446155998.db2.gz VHANNNSGZCOJQC-SFHVURJKSA-N 2 0 336.524 1.441 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)[C@H]1C ZINC000373395216 446198252 /nfs/dbraw/zinc/19/82/52/446198252.db2.gz PYYGLXADNMVYAZ-CUSZFKRNSA-N 2 0 337.508 1.722 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000373515274 446245798 /nfs/dbraw/zinc/24/57/98/446245798.db2.gz LTQSNGCZHCRWLV-QXRTWZOPSA-N 2 0 331.460 1.645 20 0 EDADRP CSC[C@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)C[C@H](O)CSC)CC1 ZINC000373600597 446277649 /nfs/dbraw/zinc/27/76/49/446277649.db2.gz DTEZKROAYQBIPZ-QLFBSQMISA-N 2 0 336.567 1.221 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365659116 446290432 /nfs/dbraw/zinc/29/04/32/446290432.db2.gz AKGKMZXZWHVBFH-GOSISDBHSA-N 2 0 344.519 1.541 20 0 EDADRP C[C@H]1CN(Cc2c[nH]c3nccnc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365661347 446291417 /nfs/dbraw/zinc/29/14/17/446291417.db2.gz QNYHVOCWJCQGPD-GOEBONIOSA-N 2 0 328.464 1.367 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCC[C@H]3C2)CCCO1 ZINC000370489705 446302471 /nfs/dbraw/zinc/30/24/71/446302471.db2.gz CIBYDJJGXVLNDG-ZACQAIPSSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1cc(=O)n2nc(C[N@H+]3CCCC4(CC[NH+](C)CC4)C3)sc2n1 ZINC000374074572 446351041 /nfs/dbraw/zinc/35/10/41/446351041.db2.gz LTQAXWSVGAUCTD-UHFFFAOYSA-N 2 0 347.488 1.767 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@H]4CCCC[N@@H+]4C3)cn2)CC1 ZINC000365816812 446353804 /nfs/dbraw/zinc/35/38/04/446353804.db2.gz NCIHKOBPPYNSLC-DOTOQJQBSA-N 2 0 343.475 1.646 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417500519 446356088 /nfs/dbraw/zinc/35/60/88/446356088.db2.gz GKNCKUWFSJCYMT-RYQLBKOJSA-N 2 0 348.491 1.827 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)CC1 ZINC000417549577 446365323 /nfs/dbraw/zinc/36/53/23/446365323.db2.gz TZHREFHUPHTGDR-HUUCEWRRSA-N 2 0 340.512 1.645 20 0 EDADRP Cc1cn2c(n1)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)CCC2 ZINC000374423727 446368771 /nfs/dbraw/zinc/36/87/71/446368771.db2.gz XFWBRGWFVZNQBG-HNNXBMFYSA-N 2 0 349.479 1.167 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1 ZINC000417910972 446383828 /nfs/dbraw/zinc/38/38/28/446383828.db2.gz LZGPTEOKLMIIPF-KZNAEPCWSA-N 2 0 346.475 1.363 20 0 EDADRP CSC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)CC[NH+](C)CC1 ZINC000423119488 446429811 /nfs/dbraw/zinc/42/98/11/446429811.db2.gz COBTZWUQCLDYSJ-OAGGEKHMSA-N 2 0 327.538 1.561 20 0 EDADRP O=C(Cc1cn2ccccc2n1)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000370771274 446429847 /nfs/dbraw/zinc/42/98/47/446429847.db2.gz HVFZCZAVUBTNHQ-DOTOQJQBSA-N 2 0 342.443 1.494 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000423132839 446434189 /nfs/dbraw/zinc/43/41/89/446434189.db2.gz VAXJNJDOENDRFV-RDJZCZTQSA-N 2 0 336.480 1.269 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000418099209 446440742 /nfs/dbraw/zinc/44/07/42/446440742.db2.gz BSQZJFIBNXZLQW-UYAOXDASSA-N 2 0 342.487 1.904 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CCC[NH2+]CC1)C1CC1 ZINC000418133935 446442588 /nfs/dbraw/zinc/44/25/88/446442588.db2.gz GSGIMMXMXIMBSV-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)CCSCC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000370787712 446443119 /nfs/dbraw/zinc/44/31/19/446443119.db2.gz NWLBSJIUQGZBCZ-MRXNPFEDSA-N 2 0 343.537 1.431 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423207928 446452947 /nfs/dbraw/zinc/45/29/47/446452947.db2.gz SMBFFHNNAWSZJS-PCCBWWKXSA-N 3 0 342.531 1.782 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)CC[NH2+]CC1 ZINC000423173096 446446870 /nfs/dbraw/zinc/44/68/70/446446870.db2.gz WXGBIBAYCCMZPR-JKSUJKDBSA-N 3 0 325.497 1.629 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423191402 446448845 /nfs/dbraw/zinc/44/88/45/446448845.db2.gz STKPYQWWGJUWRC-HKUYNNGSSA-N 3 0 331.504 1.991 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NCCC[NH2+]C1CC1 ZINC000418019101 446417624 /nfs/dbraw/zinc/41/76/24/446417624.db2.gz WMAPZSCPJXJDJI-QAPCUYQASA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000418043132 446422989 /nfs/dbraw/zinc/42/29/89/446422989.db2.gz YOAMWOVBGBCXLY-UONOGXRCSA-N 2 0 344.381 1.969 20 0 EDADRP CCOC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](CCC(=O)OCC)CC2 ZINC000376363509 446454990 /nfs/dbraw/zinc/45/49/90/446454990.db2.gz AMFKQZDLXKOPEN-UHFFFAOYSA-N 2 0 340.464 1.681 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423211418 446455136 /nfs/dbraw/zinc/45/51/36/446455136.db2.gz HHCAARZWHHHKPZ-KKUMJFAQSA-N 2 0 339.505 1.990 20 0 EDADRP CSC1(CNC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC[NH+](C)CC1 ZINC000418199381 446455629 /nfs/dbraw/zinc/45/56/29/446455629.db2.gz NTRBDEOKANWZNT-ZIAGYGMSSA-N 2 0 328.526 1.583 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)NC[C@@H]1CN(C2CC2)CCO1 ZINC000418211224 446460594 /nfs/dbraw/zinc/46/05/94/446460594.db2.gz KRSPAQOEYJCCPJ-AEFFLSMTSA-N 2 0 346.475 1.411 20 0 EDADRP C[C@@H]([NH3+])CC[NH2+][C@H](C)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423235343 446460714 /nfs/dbraw/zinc/46/07/14/446460714.db2.gz QXNYGVGKBOXBQK-ZIAGYGMSSA-N 2 0 341.477 1.095 20 0 EDADRP CSc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000418228690 446464617 /nfs/dbraw/zinc/46/46/17/446464617.db2.gz FLLRYVLMMZHXCB-UXLLHSPISA-N 2 0 348.516 1.872 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000418240000 446469587 /nfs/dbraw/zinc/46/95/87/446469587.db2.gz PEFQKXMOVFBSMC-CVEARBPZSA-N 2 0 340.512 1.504 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000420309257 446471772 /nfs/dbraw/zinc/47/17/72/446471772.db2.gz DTYCMXSXZXWQBI-NVXWUHKLSA-N 2 0 329.448 1.741 20 0 EDADRP CCOC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420310779 446473640 /nfs/dbraw/zinc/47/36/40/446473640.db2.gz QCHKNBZEDPXWDE-UHFFFAOYSA-N 2 0 345.443 1.877 20 0 EDADRP Cc1cccc2nc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)cc(=O)n12 ZINC000420315407 446480620 /nfs/dbraw/zinc/48/06/20/446480620.db2.gz MCDUCZAAEMPLMY-INIZCTEOSA-N 2 0 326.444 1.824 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)c1ccccc1 ZINC000423309474 446483104 /nfs/dbraw/zinc/48/31/04/446483104.db2.gz LKWGSAGGMJGJJC-QZTJIDSGSA-N 2 0 341.459 1.840 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCCC2)c1 ZINC000423310827 446483280 /nfs/dbraw/zinc/48/32/80/446483280.db2.gz SHZRFAWTAZFXNF-AYBZRNKSSA-N 2 0 329.444 1.700 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(CC(=O)NCCc2cccc3cccnc32)C1 ZINC000420317606 446483604 /nfs/dbraw/zinc/48/36/04/446483604.db2.gz ZQQILMJBXSEPKI-YOEHRIQHSA-N 2 0 326.444 1.563 20 0 EDADRP CCOC(=O)[C@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420328737 446496568 /nfs/dbraw/zinc/49/65/68/446496568.db2.gz FNKVHUAGXGEVKO-OAHLLOKOSA-N 2 0 337.464 1.006 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCCC[NH2+]Cc3cccnc3)CC[C@@H]21 ZINC000418330033 446502505 /nfs/dbraw/zinc/50/25/05/446502505.db2.gz PGXAXLCDJMZHOR-MSOLQXFVSA-N 2 0 345.491 1.687 20 0 EDADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000423365498 446503296 /nfs/dbraw/zinc/50/32/96/446503296.db2.gz KFHYNADRTHBTTF-TXPWEPMLSA-N 2 0 339.430 1.767 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000420336638 446505810 /nfs/dbraw/zinc/50/58/10/446505810.db2.gz MMOZNVUHOVHTDY-SFHVURJKSA-N 3 0 334.508 1.193 20 0 EDADRP C[C@@H](NC(=O)N1CC([N@H+](C)Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000418338370 446506863 /nfs/dbraw/zinc/50/68/63/446506863.db2.gz JTKTXBCRJLQSGN-NVXWUHKLSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH2+]CCNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418338046 446507907 /nfs/dbraw/zinc/50/79/07/446507907.db2.gz YUOFNBCTVGGWRS-GASCZTMLSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000423377817 446509166 /nfs/dbraw/zinc/50/91/66/446509166.db2.gz KLHGNJJPGUVAAE-NTZNESFSSA-N 2 0 328.254 1.729 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)CCCN1CC(F)(F)F ZINC000420339911 446512373 /nfs/dbraw/zinc/51/23/73/446512373.db2.gz ZIORPQLBISIWDW-MGPQQGTHSA-N 2 0 333.398 1.861 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NC(=O)NCc1cccs1 ZINC000420329685 446499709 /nfs/dbraw/zinc/49/97/09/446499709.db2.gz HCZOYPNVAYUNGA-BETUJISGSA-N 2 0 336.461 1.005 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@H]2C)cc1 ZINC000418483940 446561665 /nfs/dbraw/zinc/56/16/65/446561665.db2.gz FYEOVVOWFSHXKX-QLFBSQMISA-N 2 0 334.464 1.303 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1CO ZINC000418366338 446516767 /nfs/dbraw/zinc/51/67/67/446516767.db2.gz POIGWFFDQJTKHL-JQHSSLGASA-N 2 0 348.491 1.024 20 0 EDADRP C[C@@H](C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1)CS(C)(=O)=O ZINC000367209508 446522074 /nfs/dbraw/zinc/52/20/74/446522074.db2.gz RDRFWIOQCPFAQI-LSDHHAIUSA-N 2 0 328.522 1.863 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000423412084 446523655 /nfs/dbraw/zinc/52/36/55/446523655.db2.gz WCFPRFZWHSSLLR-LSDHHAIUSA-N 2 0 333.480 1.584 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)CC1 ZINC000423419724 446527221 /nfs/dbraw/zinc/52/72/21/446527221.db2.gz AMZFCSAAWCQTHQ-RDJZCZTQSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C2(CCCCC2)C1 ZINC000423423502 446530050 /nfs/dbraw/zinc/53/00/50/446530050.db2.gz DRAFKRIDFYAGQS-QGZVFWFLSA-N 2 0 345.491 1.898 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000418401426 446531400 /nfs/dbraw/zinc/53/14/00/446531400.db2.gz GMDUGJSXWFXLCK-DKIMLUQUSA-N 2 0 346.475 1.567 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418403934 446532971 /nfs/dbraw/zinc/53/29/71/446532971.db2.gz IUBVGOJXDVVWGN-YQVWRLOYSA-N 2 0 346.475 1.050 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000418428621 446540488 /nfs/dbraw/zinc/54/04/88/446540488.db2.gz QKWXQSQZAXWUCQ-HZPDHXFCSA-N 2 0 339.528 1.170 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nnc2n1CCCCC2 ZINC000433180124 446543813 /nfs/dbraw/zinc/54/38/13/446543813.db2.gz VHJDUEXEBITIBD-CQSZACIVSA-N 2 0 348.495 1.385 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4cccc(C)n34)C2)CC1 ZINC000367419598 446544718 /nfs/dbraw/zinc/54/47/18/446544718.db2.gz USMATPCFGHSYBF-KRWDZBQOSA-N 2 0 327.476 1.855 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@@H]2NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000375054422 446547764 /nfs/dbraw/zinc/54/77/64/446547764.db2.gz NLTMURCGPHJXOR-MSOLQXFVSA-N 2 0 331.460 1.599 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000418464350 446553622 /nfs/dbraw/zinc/55/36/22/446553622.db2.gz MCPPUHRJBSYONE-HUUCEWRRSA-N 2 0 326.485 1.399 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000418463974 446554005 /nfs/dbraw/zinc/55/40/05/446554005.db2.gz LTSZYAIHXHFFAB-INIZCTEOSA-N 2 0 339.528 1.315 20 0 EDADRP Cc1ccc(NCCCNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)nc1 ZINC000433905701 446610143 /nfs/dbraw/zinc/61/01/43/446610143.db2.gz CZBRKAJPDFNEDR-QGZVFWFLSA-N 2 0 345.491 2.508 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000418609264 446614932 /nfs/dbraw/zinc/61/49/32/446614932.db2.gz CAFSQYAJJIPFFN-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H]1CN(C)CCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453712076 446615490 /nfs/dbraw/zinc/61/54/90/446615490.db2.gz MLOHPKXAVXMGCP-CXAGYDPISA-N 2 0 344.459 1.337 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000418613380 446615650 /nfs/dbraw/zinc/61/56/50/446615650.db2.gz JSFNWJHMPPBAAU-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)CCCO1 ZINC000433451193 446574461 /nfs/dbraw/zinc/57/44/61/446574461.db2.gz BIUFZSMEDCUBOA-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH2+]C2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000418519752 446578693 /nfs/dbraw/zinc/57/86/93/446578693.db2.gz GLBHWPYFJBNZBB-SOLBZPMBSA-N 2 0 330.476 1.900 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC000433465745 446578888 /nfs/dbraw/zinc/57/88/88/446578888.db2.gz ISVQNONPTOKXSR-ULQDDVLXSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418529280 446582228 /nfs/dbraw/zinc/58/22/28/446582228.db2.gz SZKOMIGUQIYCJT-AZUAARDMSA-N 2 0 342.487 1.904 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418537494 446585262 /nfs/dbraw/zinc/58/52/62/446585262.db2.gz JUUVNVQYBTUYQQ-SJLPKXTDSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418541398 446586189 /nfs/dbraw/zinc/58/61/89/446586189.db2.gz QIHTYCWRMBMYKQ-WDYCEAGBSA-N 2 0 346.475 1.063 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)[C@H]3C2)c1 ZINC000367766922 446588253 /nfs/dbraw/zinc/58/82/53/446588253.db2.gz GVTUQADNBIWSCI-RDJZCZTQSA-N 2 0 344.459 1.239 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCc3ccc4c(c3)C[NH2+]C4)CC[C@H]21 ZINC000418549010 446589729 /nfs/dbraw/zinc/58/97/29/446589729.db2.gz DGBULQKMFMQHHH-FUHWJXTLSA-N 2 0 328.460 1.916 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)N[C@@H](C)CC[NH3+])CC1 ZINC000418563242 446594838 /nfs/dbraw/zinc/59/48/38/446594838.db2.gz SBXBGVQYOGEPEW-HNNXBMFYSA-N 2 0 328.501 1.504 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCO[C@H](C(F)(F)F)C3)C2)CC1 ZINC000367910905 446607881 /nfs/dbraw/zinc/60/78/81/446607881.db2.gz LZHZHIFTJLQFHI-IPYPFGDCSA-N 2 0 335.414 1.854 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000418659586 446639368 /nfs/dbraw/zinc/63/93/68/446639368.db2.gz XOHDQWINGLQWDI-HDMKZQKVSA-N 2 0 348.491 1.345 20 0 EDADRP COCCOCC[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371159485 446661865 /nfs/dbraw/zinc/66/18/65/446661865.db2.gz CZHZYCKQNZORCQ-UHFFFAOYSA-N 2 0 341.540 1.778 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000418739124 446662785 /nfs/dbraw/zinc/66/27/85/446662785.db2.gz YMCDCGYVGQLYFY-AETAKHFUSA-N 2 0 348.466 1.945 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000423734899 446668583 /nfs/dbraw/zinc/66/85/83/446668583.db2.gz BNBDXCJXNPNQCE-AZUAARDMSA-N 2 0 344.503 1.489 20 0 EDADRP COc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1Cl ZINC000420453401 446629854 /nfs/dbraw/zinc/62/98/54/446629854.db2.gz KDWMBZRRMGANDN-UHFFFAOYSA-N 2 0 335.857 1.037 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@@]2(COC)CCC[NH2+]2)C[C@@H]1C ZINC000418649950 446633517 /nfs/dbraw/zinc/63/35/17/446633517.db2.gz FEYZCHQDMGRGSL-YQQAZPJKSA-N 2 0 326.485 1.269 20 0 EDADRP COC[C@@]1(CNC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CCC[NH2+]1 ZINC000418650010 446633528 /nfs/dbraw/zinc/63/35/28/446633528.db2.gz FKADXSXNWUXHLG-WMZOPIPTSA-N 2 0 338.496 1.128 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+](CC3CCCCC3)CC2)nn1 ZINC000375291567 446696850 /nfs/dbraw/zinc/69/68/50/446696850.db2.gz HCFQLJSEBNBNIN-UHFFFAOYSA-N 2 0 349.479 1.699 20 0 EDADRP Cc1nc(N(C)C[C@@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420633011 446713171 /nfs/dbraw/zinc/71/31/71/446713171.db2.gz IOOYMYSRDLVKJB-HOTGVXAUSA-N 2 0 347.511 1.241 20 0 EDADRP C[C@H]1C[C@H]([NH2+][C@H]2CCN(S(=O)(=O)c3ccccc3)C2)CCN1C ZINC000376824790 446739847 /nfs/dbraw/zinc/73/98/47/446739847.db2.gz YICZSNZHBLLYNC-XHSDSOJGSA-N 2 0 337.489 1.522 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)CC1 ZINC000376792314 446721362 /nfs/dbraw/zinc/72/13/62/446721362.db2.gz UEUWPXOALDJACJ-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NC[C@@H]2C[C@@H](O)C[N@@H+]2Cc2ccccc2)C1 ZINC000418760194 446678772 /nfs/dbraw/zinc/67/87/72/446678772.db2.gz GYYZAOFZIPWZSD-VSZNYVQBSA-N 2 0 346.475 1.048 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H](O)Cc1ccccc1 ZINC000423891277 446746921 /nfs/dbraw/zinc/74/69/21/446746921.db2.gz BMKGTDDIOHRFTI-CRAIPNDOSA-N 2 0 333.476 1.298 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418922722 446800238 /nfs/dbraw/zinc/80/02/38/446800238.db2.gz DUOBQTXIXGDFEC-KGLIPLIRSA-N 2 0 334.464 1.169 20 0 EDADRP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@H](C)[NH3+] ZINC000423931663 446784154 /nfs/dbraw/zinc/78/41/54/446784154.db2.gz MOITZTWACNONMP-XJNFMUPTSA-N 2 0 335.496 1.539 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018492 446824855 /nfs/dbraw/zinc/82/48/55/446824855.db2.gz JFHOPHYQQCXBCD-KRWDZBQOSA-N 3 0 332.492 1.614 20 0 EDADRP CSC1(CNC(=O)N(C)C[C@@H]2CCC[N@@H+]2C)CC[NH+](C)CC1 ZINC000420853678 446857025 /nfs/dbraw/zinc/85/70/25/446857025.db2.gz YJBJFPFXCFWHTN-AWEZNQCLSA-N 2 0 328.526 1.549 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419100468 446923980 /nfs/dbraw/zinc/92/39/80/446923980.db2.gz BUXUKROWORKHMY-DJIMGWMZSA-N 2 0 346.475 1.009 20 0 EDADRP c1cc(CN2CCOCC2)cc(C[N@@H+]2CCO[C@@]3(CCCOC3)C2)c1 ZINC000420965563 446935279 /nfs/dbraw/zinc/93/52/79/446935279.db2.gz POMAMMLPSSUQED-FQEVSTJZSA-N 2 0 346.471 1.900 20 0 EDADRP C[NH2+]CCCN(C)C(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000419213162 447014103 /nfs/dbraw/zinc/01/41/03/447014103.db2.gz LBUYXJSXVWKYGT-UHFFFAOYSA-N 2 0 348.491 1.211 20 0 EDADRP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062252 447002101 /nfs/dbraw/zinc/00/21/01/447002101.db2.gz UBZBMDVNYOIAMH-MRXNPFEDSA-N 2 0 333.476 1.900 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000372103331 447003518 /nfs/dbraw/zinc/00/35/18/447003518.db2.gz SZOZJIUDZNLJBW-LJQANCHMSA-N 2 0 348.466 1.142 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000425325936 447116531 /nfs/dbraw/zinc/11/65/31/447116531.db2.gz OXSXRBGSFGYTFC-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP C[N@H+](C[C@@](C)(O)c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829848 447085542 /nfs/dbraw/zinc/08/55/42/447085542.db2.gz HTOBPVZIYBVDOP-VQTJNVASSA-N 2 0 331.504 1.994 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425397059 447142245 /nfs/dbraw/zinc/14/22/45/447142245.db2.gz QUIKULUSAODWJQ-GOEBONIOSA-N 2 0 325.497 1.410 20 0 EDADRP COc1cccc(C(=O)NCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375897806 447131244 /nfs/dbraw/zinc/13/12/44/447131244.db2.gz LSSWVGXANAOZBS-KSZLIROESA-N 2 0 331.460 1.887 20 0 EDADRP COC(=O)[C@]1(c2ccccc2)CC[N@H+](Cc2cnc(N(C)C)n2C)C1 ZINC000425376431 447131924 /nfs/dbraw/zinc/13/19/24/447131924.db2.gz FCLRUTKHPCTSFF-LJQANCHMSA-N 2 0 342.443 1.803 20 0 EDADRP O[C@@H]1CC[C@@H]2C[NH+](C/C=C/C[N@H+]3C[C@@H]4CC[C@H](O)C[C@@H]4C3)C[C@@H]2C1 ZINC000425530302 447214465 /nfs/dbraw/zinc/21/44/65/447214465.db2.gz ZGRXYRARIBYFES-WJXXMDLASA-N 2 0 334.504 1.728 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000368991574 447251789 /nfs/dbraw/zinc/25/17/89/447251789.db2.gz JSIVAXOPEJFKTL-IRXDYDNUSA-N 2 0 338.496 1.272 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000369027087 447272452 /nfs/dbraw/zinc/27/24/52/447272452.db2.gz LAMKVBGMWYUAJH-HZPDHXFCSA-N 2 0 326.485 1.268 20 0 EDADRP [NH3+]CCc1nc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)cs1 ZINC000379851460 447456073 /nfs/dbraw/zinc/45/60/73/447456073.db2.gz GZCSWBMDMQDFSZ-OAHLLOKOSA-N 2 0 344.484 1.896 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415517055 447492137 /nfs/dbraw/zinc/49/21/37/447492137.db2.gz IJZGEOBALUPLDJ-INIZCTEOSA-N 2 0 332.448 1.290 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)ccc1C[NH+](C)C ZINC000415530125 447498849 /nfs/dbraw/zinc/49/88/49/447498849.db2.gz UCEPNLMZWOIRMU-ZIAGYGMSSA-N 2 0 332.448 1.191 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000419968823 447521393 /nfs/dbraw/zinc/52/13/93/447521393.db2.gz QTSXSTNBGLETSY-MRXNPFEDSA-N 2 0 340.512 1.201 20 0 EDADRP C[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC000426569288 447473397 /nfs/dbraw/zinc/47/33/97/447473397.db2.gz YTVOYGNWJJZKRR-DLBZAZTESA-N 2 0 338.496 1.005 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000420027752 447553555 /nfs/dbraw/zinc/55/35/55/447553555.db2.gz LEURMDZVIZAPNI-ZOBUZTSGSA-N 2 0 346.475 1.134 20 0 EDADRP C[C@H]1CCC[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)[C@@H]1CC[NH3+] ZINC000404271037 447597392 /nfs/dbraw/zinc/59/73/92/447597392.db2.gz KTGNDGPFCGLZPR-XJKSGUPXSA-N 2 0 341.477 1.162 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C[C@H]1C[NH2+]CCO1 ZINC000404391224 447600706 /nfs/dbraw/zinc/60/07/06/447600706.db2.gz PNGJVZSRGXMXKR-BMFAXAFESA-N 2 0 345.487 1.875 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420112476 447608974 /nfs/dbraw/zinc/60/89/74/447608974.db2.gz DIIFUFJNSYVVIT-YOEHRIQHSA-N 2 0 346.475 1.264 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)[NH+]1CCC[C@@H](C)C1 ZINC000457695042 447621683 /nfs/dbraw/zinc/62/16/83/447621683.db2.gz CVSXNXOGGXHZSU-BRWVUGGUSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1cccc(F)c1 ZINC000416825239 447691959 /nfs/dbraw/zinc/69/19/59/447691959.db2.gz AOZWLGLZNVQEDZ-FUHWJXTLSA-N 2 0 334.439 1.823 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000416838388 447694341 /nfs/dbraw/zinc/69/43/41/447694341.db2.gz JBZSMFIJJNYHMK-ZWKOTPCHSA-N 2 0 348.491 1.529 20 0 EDADRP COCC1(CNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000416836815 447694623 /nfs/dbraw/zinc/69/46/23/447694623.db2.gz WADICAHQOROZDI-UHFFFAOYSA-N 2 0 340.512 1.566 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)[C@H](C[NH3+])C1 ZINC000416853052 447696373 /nfs/dbraw/zinc/69/63/73/447696373.db2.gz TWRPNOVMVHIZAM-OKZBNKHCSA-N 2 0 348.491 1.307 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000416851947 447696932 /nfs/dbraw/zinc/69/69/32/447696932.db2.gz LXJRGLPBQSHAMP-PBHICJAKSA-N 2 0 334.464 1.739 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCCC[C@H]2[C@@H](C)[NH3+])C1 ZINC000416873488 447700543 /nfs/dbraw/zinc/70/05/43/447700543.db2.gz RWNHDEMFQZYOGM-OAGGEKHMSA-N 2 0 326.485 1.255 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000416808567 447688915 /nfs/dbraw/zinc/68/89/15/447688915.db2.gz IILCLRMVUKEDHL-SJLPKXTDSA-N 2 0 348.491 1.704 20 0 EDADRP CON1CCC([NH+](C)CCC[N@@H+](C)C2CCN(OC)CC2)CC1 ZINC000459575046 447710430 /nfs/dbraw/zinc/71/04/30/447710430.db2.gz CQCDCQWLWMVDCS-UHFFFAOYSA-N 2 0 328.501 1.292 20 0 EDADRP C[C@@H]([NH2+]CCc1ccc(OCC(=O)NC2CC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422718692 447728061 /nfs/dbraw/zinc/72/80/61/447728061.db2.gz XISOHPBGDVWDHL-GDBMZVCRSA-N 2 0 331.460 1.474 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(CCC3)[C@@H]3COC[C@@H]32)CC1 ZINC000459666445 447735687 /nfs/dbraw/zinc/73/56/87/447735687.db2.gz CDXONRVBZKPGKJ-SJORKVTESA-N 2 0 335.492 1.476 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496404342 447767840 /nfs/dbraw/zinc/76/78/40/447767840.db2.gz UQKYTNLMJNADIL-CPUCHLNUSA-N 2 0 329.485 1.725 20 0 EDADRP C[C@H]([NH2+]CCCNC(=O)c1ccc(Br)cc1)C1C[NH2+]C1 ZINC000422884498 447770758 /nfs/dbraw/zinc/77/07/58/447770758.db2.gz XDTULMPOTXEDSV-NSHDSACASA-N 2 0 340.265 1.767 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422913828 447771148 /nfs/dbraw/zinc/77/11/48/447771148.db2.gz QVXWPPOQMMPNGV-ZWKOTPCHSA-N 2 0 330.476 1.585 20 0 EDADRP CN(CC(=O)Nc1ccccc1SCC(N)=O)CC(C)(C)C[NH3+] ZINC000430578039 447781094 /nfs/dbraw/zinc/78/10/94/447781094.db2.gz OTVIPIMAAFTGMU-UHFFFAOYSA-N 2 0 338.477 1.119 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CN(C(C)C)C[C@H]2C)CC[NH2+]CC1 ZINC000422986687 447788255 /nfs/dbraw/zinc/78/82/55/447788255.db2.gz DFAXEGPDRJMSDR-PMPSAXMXSA-N 2 0 325.497 1.626 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)ccn1 ZINC000423023910 447793187 /nfs/dbraw/zinc/79/31/87/447793187.db2.gz KSURIBLKFPKTOR-KZNAEPCWSA-N 2 0 348.491 1.269 20 0 EDADRP [NH3+]CC1CCC([NH2+]Cc2ccc(N3CCCS3(=O)=O)cc2)CC1 ZINC000423048592 447797886 /nfs/dbraw/zinc/79/78/86/447797886.db2.gz ITDLNVKXAMRNKA-UHFFFAOYSA-N 2 0 337.489 1.834 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423097192 447804277 /nfs/dbraw/zinc/80/42/77/447804277.db2.gz JDBRELXZGSSHLJ-GWCFXTLKSA-N 2 0 349.859 1.474 20 0 EDADRP C[C@@H](CCNC(=O)N1CCN(C)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000569676592 447863355 /nfs/dbraw/zinc/86/33/55/447863355.db2.gz LQJWBACDTUPHLW-FUHWJXTLSA-N 3 0 347.507 1.181 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CC(NC(=O)OC(C)(C)C)C2)CC1 ZINC000496621468 447834853 /nfs/dbraw/zinc/83/48/53/447834853.db2.gz GLFGFLQILIZFAE-UHFFFAOYSA-N 2 0 341.496 1.867 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)[C@H]2C[N@H+](C)C[C@H]2C)c1 ZINC000487685527 447835818 /nfs/dbraw/zinc/83/58/18/447835818.db2.gz IIXYMRAETPHRIS-QAPCUYQASA-N 2 0 333.476 1.783 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000551867803 447911585 /nfs/dbraw/zinc/91/15/85/447911585.db2.gz ZVUKZBYCJKOWBQ-MSOLQXFVSA-N 2 0 331.460 1.345 20 0 EDADRP O=C(N1CC[C@@H]([NH+]2CCCC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530815011 447964325 /nfs/dbraw/zinc/96/43/25/447964325.db2.gz GMZPEGXIUYAWNO-UYAOXDASSA-N 2 0 343.471 1.320 20 0 EDADRP C[C@@H](Cn1ccnc1)NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530812567 447962429 /nfs/dbraw/zinc/96/24/29/447962429.db2.gz AYCNACPQHFCJBC-MAUKXSAKSA-N 2 0 328.416 1.025 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530587718 447922358 /nfs/dbraw/zinc/92/23/58/447922358.db2.gz SDOYCYWKSPNSFM-ICSRJNTNSA-N 2 0 345.487 1.424 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)NCCCOc2ccccc2F)CC1 ZINC000570286026 447979191 /nfs/dbraw/zinc/97/91/91/447979191.db2.gz MGGXZXOTJCPADF-UHFFFAOYSA-N 2 0 337.439 1.772 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCOC1CCCCC1 ZINC000525417855 447999333 /nfs/dbraw/zinc/99/93/33/447999333.db2.gz BTOWYWPEAAFJGW-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000576091995 447968150 /nfs/dbraw/zinc/96/81/50/447968150.db2.gz OGRADVYLXPXPJN-JKSUJKDBSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)C[C@H](C)O1 ZINC000576339217 448030944 /nfs/dbraw/zinc/03/09/44/448030944.db2.gz DUTMZXGVMSQXDY-DAYGRLMNSA-N 2 0 349.475 1.430 20 0 EDADRP C[C@@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000497289633 448043999 /nfs/dbraw/zinc/04/39/99/448043999.db2.gz OPQSLABNMYYWBH-MAUKXSAKSA-N 2 0 343.512 1.974 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000570836381 448073165 /nfs/dbraw/zinc/07/31/65/448073165.db2.gz GUOXWIYQLIUBAI-CRAIPNDOSA-N 2 0 347.459 1.459 20 0 EDADRP Cc1nn(C)c2ncc(C[N@@H+]3C[C@@H](C[NH3+])C4(C3)CCOCC4)cc12 ZINC000576584181 448090928 /nfs/dbraw/zinc/09/09/28/448090928.db2.gz JJBLDGMUSBWXTO-OAHLLOKOSA-N 2 0 329.448 1.464 20 0 EDADRP CC[N@@H+]1CC[C@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@H]2C1 ZINC000502737999 448103982 /nfs/dbraw/zinc/10/39/82/448103982.db2.gz HICZMGGTFOFKFE-FGTMMUONSA-N 2 0 335.492 1.715 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000512441898 448158187 /nfs/dbraw/zinc/15/81/87/448158187.db2.gz SPJMXHYSOMXFEI-XIRDDKMYSA-N 2 0 333.480 1.666 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)CC1 ZINC000571281473 448127100 /nfs/dbraw/zinc/12/71/00/448127100.db2.gz ZNFCQXBRDQTZFE-UHFFFAOYSA-N 2 0 346.475 1.380 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)C2C[NH+](C3CCCCC3)C2)CC1 ZINC000556721904 448143675 /nfs/dbraw/zinc/14/36/75/448143675.db2.gz SSGUTZDXEYZVIW-GOSISDBHSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC[N@@H+]1C ZINC000511510167 448153316 /nfs/dbraw/zinc/15/33/16/448153316.db2.gz ZKDJOVSFUPETGM-BBWFWOEESA-N 2 0 338.496 1.223 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000571637276 448184014 /nfs/dbraw/zinc/18/40/14/448184014.db2.gz CIEVNNJAGLTXTQ-ZWKOTPCHSA-N 2 0 330.476 1.233 20 0 EDADRP O=C1O[C@]2(CN1CN1CCOC3(CCCCC3)C1)C[NH+]1CCC2CC1 ZINC000497095698 448194836 /nfs/dbraw/zinc/19/48/36/448194836.db2.gz OIAKQILLNHWNPA-IBGZPJMESA-N 2 0 349.475 1.896 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[NH+]1CCN(C)CC1 ZINC000571795581 448208455 /nfs/dbraw/zinc/20/84/55/448208455.db2.gz GHPPYWCOZZZURF-SQNIBIBYSA-N 2 0 338.540 1.672 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000576898595 448167273 /nfs/dbraw/zinc/16/72/73/448167273.db2.gz IYPLGVTZWWAMSE-QZTJIDSGSA-N 2 0 332.492 1.432 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cccc(N3CC[NH+](C)CC3)n2)CCC1 ZINC000527362989 448215670 /nfs/dbraw/zinc/21/56/70/448215670.db2.gz BLNCVGHFCZGUER-UHFFFAOYSA-N 2 0 331.464 1.048 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)N[C@H]1C[NH2+]CCC1(F)F)c1ccccc1 ZINC000577269258 448250823 /nfs/dbraw/zinc/25/08/23/448250823.db2.gz MFGKHADDALBDEZ-UONOGXRCSA-N 2 0 349.385 1.806 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000515851831 448358645 /nfs/dbraw/zinc/35/86/45/448358645.db2.gz INLBMMAXRJYJMK-XHSDSOJGSA-N 2 0 333.480 1.685 20 0 EDADRP C[C@@H](CN1CCOCC1)[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1 ZINC000515851343 448358935 /nfs/dbraw/zinc/35/89/35/448358935.db2.gz DPEOKMOAALULSY-IBGZPJMESA-N 2 0 346.519 1.115 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)c1ccc(Cl)cc1 ZINC000582774886 448335327 /nfs/dbraw/zinc/33/53/27/448335327.db2.gz GHLKXTDOYACUSX-KBMXLJTQSA-N 2 0 336.867 1.946 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCCN1CCOC[C@H]1C ZINC000591573244 448393496 /nfs/dbraw/zinc/39/34/96/448393496.db2.gz ODPLIBFGFAYKLS-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000572550925 448407148 /nfs/dbraw/zinc/40/71/48/448407148.db2.gz XBMJORLBCHQWCV-QGZVFWFLSA-N 2 0 338.496 1.082 20 0 EDADRP C[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000516098032 448380223 /nfs/dbraw/zinc/38/02/23/448380223.db2.gz GOAZLZYOKQKJPG-CGXNFDGLSA-N 2 0 343.515 1.868 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3c2NCC3)C1)[C@@H]1CCC[NH2+]1 ZINC000566230583 448422102 /nfs/dbraw/zinc/42/21/02/448422102.db2.gz CFISGVOHXGZCNZ-YJBOKZPZSA-N 2 0 342.487 1.735 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000578039194 448447421 /nfs/dbraw/zinc/44/74/21/448447421.db2.gz DPYBSTWVGGNGIN-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(C(=O)Nc2ccccc2OC)CC1 ZINC000566352060 448451780 /nfs/dbraw/zinc/45/17/80/448451780.db2.gz TURWJQGHNIEMON-SFHVURJKSA-N 2 0 335.448 1.316 20 0 EDADRP O=C(NCc1cn2ccccc2n1)N1CCNC[C@H]1c1cccnc1 ZINC000516915694 448495749 /nfs/dbraw/zinc/49/57/49/448495749.db2.gz ADMJKOONFIWVCS-INIZCTEOSA-N 2 0 336.399 1.585 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1)[C@H](C)[NH3+] ZINC000572957012 448504802 /nfs/dbraw/zinc/50/48/02/448504802.db2.gz WGTKTNDDCBSHRI-QFBILLFUSA-N 2 0 346.519 1.670 20 0 EDADRP NC(=O)c1c[nH+]ccc1NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000517226174 448556293 /nfs/dbraw/zinc/55/62/93/448556293.db2.gz BIXJCCSPBZAUPJ-DZGCQCFKSA-N 2 0 328.391 1.547 20 0 EDADRP COc1ccccc1CCNC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000573083204 448538195 /nfs/dbraw/zinc/53/81/95/448538195.db2.gz PMDVJRAZNFQUHH-MRXNPFEDSA-N 2 0 345.487 1.818 20 0 EDADRP O=S(=O)(C1CC1)N1CCC([NH2+]C2CC[NH+](CC3CC3)CC2)CC1 ZINC000538197529 448580674 /nfs/dbraw/zinc/58/06/74/448580674.db2.gz JAWKCIAOLBJGKD-UHFFFAOYSA-N 2 0 341.521 1.407 20 0 EDADRP C[C@@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(F)cc1Cl ZINC000567249307 448649711 /nfs/dbraw/zinc/64/97/11/448649711.db2.gz RXBJVCFZHHHJMB-ZYHUDNBSSA-N 2 0 328.819 1.824 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000567348380 448671909 /nfs/dbraw/zinc/67/19/09/448671909.db2.gz BEHUCWZRTHSBHL-INIZCTEOSA-N 2 0 348.495 1.395 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000541720845 448687140 /nfs/dbraw/zinc/68/71/40/448687140.db2.gz CLTANDABJQREEG-QUCCMNQESA-N 2 0 345.487 1.472 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000579003957 448692675 /nfs/dbraw/zinc/69/26/75/448692675.db2.gz PVIBUUAUPUHEHU-HQSKLWIPSA-N 2 0 334.508 1.146 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000567494278 448703487 /nfs/dbraw/zinc/70/34/87/448703487.db2.gz XHKSIVZYERYMDJ-HKUYNNGSSA-N 2 0 348.487 1.825 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)COCc1ccccc1 ZINC000518490183 448683649 /nfs/dbraw/zinc/68/36/49/448683649.db2.gz HQGFUGHSAMCDHL-MJGOQNOKSA-N 2 0 335.492 1.037 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2ccn(CC[NH+](C)C)n2)cc1 ZINC000573979157 448761606 /nfs/dbraw/zinc/76/16/06/448761606.db2.gz IJCRRQZTNWXDFY-UHFFFAOYSA-N 2 0 345.447 1.637 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000579149761 448728509 /nfs/dbraw/zinc/72/85/09/448728509.db2.gz KROYFCWYVYYLKY-NVXWUHKLSA-N 2 0 325.497 1.602 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(C)C(C)(C)C[NH+]2CCCCCC2)CC1 ZINC000567667349 448730248 /nfs/dbraw/zinc/73/02/48/448730248.db2.gz LZXBPEJYGADZDT-UHFFFAOYSA-N 2 0 338.540 1.737 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2(Cc3ccccc3)CCC2)CC1 ZINC000568254935 448847919 /nfs/dbraw/zinc/84/79/19/448847919.db2.gz VZGUHQNBOCVSMH-LJQANCHMSA-N 2 0 331.504 1.597 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)[C@@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336851 448848253 /nfs/dbraw/zinc/84/82/53/448848253.db2.gz JUYPYJQDRZQRKS-HZPDHXFCSA-N 2 0 344.459 1.567 20 0 EDADRP CN(CCC[N@H+](C)Cc1cc2ccccc2n(C)c1=O)CC[NH+](C)C ZINC000579727212 448864638 /nfs/dbraw/zinc/86/46/38/448864638.db2.gz AFPIQZNVVFZXSM-UHFFFAOYSA-N 2 0 344.503 1.854 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC000520372330 448889161 /nfs/dbraw/zinc/88/91/61/448889161.db2.gz KKFNPKFWUOMVBR-RTBURBONSA-N 2 0 342.487 1.846 20 0 EDADRP Fc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000529539119 448893416 /nfs/dbraw/zinc/89/34/16/448893416.db2.gz SPWLWAULFANFRJ-UHFFFAOYSA-N 2 0 329.423 1.918 20 0 EDADRP CC[NH+]1CCC(N2CCC(C(=O)NCCC[S@](C)=O)CC2)CC1 ZINC000582190371 449034777 /nfs/dbraw/zinc/03/47/77/449034777.db2.gz SBNSPAPRLMKMFR-QHCPKHFHSA-N 2 0 343.537 1.068 20 0 EDADRP CC(=O)c1cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)nc1C ZINC000548274600 449011298 /nfs/dbraw/zinc/01/12/98/449011298.db2.gz ULBAFEZFFYYONJ-UHFFFAOYSA-N 2 0 334.464 1.466 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000575065257 449027691 /nfs/dbraw/zinc/02/76/91/449027691.db2.gz CJXYHBIAPWPOSI-INIZCTEOSA-N 2 0 326.485 1.114 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(COC)CC1 ZINC000582183036 449032056 /nfs/dbraw/zinc/03/20/56/449032056.db2.gz YOZAVPWZMBZHNJ-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239312 449090630 /nfs/dbraw/zinc/09/06/30/449090630.db2.gz RQVYIDUAHBBEAM-LJQANCHMSA-N 2 0 345.487 1.736 20 0 EDADRP COC(=O)c1ccccc1OCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595862351 449213842 /nfs/dbraw/zinc/21/38/42/449213842.db2.gz AOJIRORKHBXIGG-MRXNPFEDSA-N 2 0 348.443 1.383 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@](O)(C[NH+](C)C)C2)o1 ZINC000614069238 449443966 /nfs/dbraw/zinc/44/39/66/449443966.db2.gz VHMVURMZLXSCFI-SFHVURJKSA-N 2 0 337.464 1.650 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000617348813 449568930 /nfs/dbraw/zinc/56/89/30/449568930.db2.gz HAMGDBMTQFEWDO-YLJYHZDGSA-N 2 0 345.487 1.612 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602542352 449663813 /nfs/dbraw/zinc/66/38/13/449663813.db2.gz VQRFQEZNSLHBTQ-CQSZACIVSA-N 2 0 336.480 1.473 20 0 EDADRP COC(=O)c1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)c[nH]1 ZINC000601070051 449679567 /nfs/dbraw/zinc/67/95/67/449679567.db2.gz YBFSNGHQFDHOAD-UHFFFAOYSA-N 2 0 329.404 1.560 20 0 EDADRP CCOC(=O)[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCOC1 ZINC000602742193 449777302 /nfs/dbraw/zinc/77/73/02/449777302.db2.gz OOYBKJPBFYXYDJ-SFHVURJKSA-N 2 0 344.415 1.717 20 0 EDADRP CCOC(=O)[C@@]1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCOC1 ZINC000602743294 449779241 /nfs/dbraw/zinc/77/92/41/449779241.db2.gz DRTQQTRUBDXRJG-GOSISDBHSA-N 2 0 342.480 1.171 20 0 EDADRP C[C@@H](CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[NH+](C)C ZINC000617753481 449816321 /nfs/dbraw/zinc/81/63/21/449816321.db2.gz DKUAXZQTASMULA-INIZCTEOSA-N 2 0 332.492 1.504 20 0 EDADRP O=C(NC1CC[NH+](CCO)CC1)N1CCC([NH+]2CCCCC2)CC1 ZINC000601330756 449839541 /nfs/dbraw/zinc/83/95/41/449839541.db2.gz ZWNMUXGTZJARML-UHFFFAOYSA-N 2 0 338.496 1.103 20 0 EDADRP COC(=O)c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000597187607 449862592 /nfs/dbraw/zinc/86/25/92/449862592.db2.gz RNXGNBVOJKUOIU-QGZVFWFLSA-N 2 0 343.427 1.658 20 0 EDADRP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878544 449886469 /nfs/dbraw/zinc/88/64/69/449886469.db2.gz YJVYQDXBMHHJOY-UHFFFAOYSA-N 2 0 345.443 1.829 20 0 EDADRP C[C@]1(NC(=O)NCC2([NH+]3CCSCC3)CCCCC2)CC[NH2+]C1 ZINC000612879849 449923456 /nfs/dbraw/zinc/92/34/56/449923456.db2.gz DXESLOCWTRZPPS-INIZCTEOSA-N 2 0 340.537 1.789 20 0 EDADRP C[C@]1(NC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC[NH2+]C1 ZINC000612879965 449923912 /nfs/dbraw/zinc/92/39/12/449923912.db2.gz HIOLFCIAESXNPO-IBGZPJMESA-N 2 0 346.475 1.712 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@]2(C)CC[NH2+]C2)[C@H](C)C1 ZINC000612882842 449925295 /nfs/dbraw/zinc/92/52/95/449925295.db2.gz GWALNDOIFYDIDH-VYDXJSESSA-N 2 0 326.485 1.175 20 0 EDADRP Cc1ccc(CO[C@@H](C)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000625286686 450274682 /nfs/dbraw/zinc/27/46/82/450274682.db2.gz KBDIHJRVKOFXGZ-KRWDZBQOSA-N 2 0 335.492 1.852 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000618555758 450241450 /nfs/dbraw/zinc/24/14/50/450241450.db2.gz FURDSFKEYFRPNA-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C1 ZINC000625362902 450314490 /nfs/dbraw/zinc/31/44/90/450314490.db2.gz GCMWZWXFESLMSN-FGTMMUONSA-N 2 0 331.460 1.169 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000603815493 450354246 /nfs/dbraw/zinc/35/42/46/450354246.db2.gz YGJFDDWDGRXJAB-FQEVSTJZSA-N 2 0 345.487 1.614 20 0 EDADRP CC1(C)CCC[C@](CO)([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625835967 450518504 /nfs/dbraw/zinc/51/85/04/450518504.db2.gz OTYIIYYIWAIJJB-IBGZPJMESA-N 2 0 337.508 1.650 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCSCC2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000625854966 450522154 /nfs/dbraw/zinc/52/21/54/450522154.db2.gz UKHJIWLKDAIFGS-MRXNPFEDSA-N 2 0 334.489 1.761 20 0 EDADRP Cc1cc(NCCNC(=O)NC[C@@H]2CCC[N@@H+]2C)nc(C(C)C)n1 ZINC000623716733 450571114 /nfs/dbraw/zinc/57/11/14/450571114.db2.gz XUXZYUXWGATNDT-AWEZNQCLSA-N 2 0 334.468 1.714 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C(=O)C[NH+](CC)CC)[C@H](C)[C@H]1C ZINC000620747005 450538146 /nfs/dbraw/zinc/53/81/46/450538146.db2.gz KFBBTOCRNMNBPU-HZPDHXFCSA-N 2 0 340.512 1.118 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)C[C@H](C)[NH2+]1 ZINC000620904501 450557893 /nfs/dbraw/zinc/55/78/93/450557893.db2.gz OPNXLVHOOSRCDI-RYQLBKOJSA-N 2 0 330.476 1.893 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000633011870 450608962 /nfs/dbraw/zinc/60/89/62/450608962.db2.gz DOBWDIXWYFWBJE-MRXNPFEDSA-N 2 0 346.475 1.459 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635071830 450623303 /nfs/dbraw/zinc/62/33/03/450623303.db2.gz YAIILKBGQCJFJB-MOPGFXCFSA-N 2 0 343.471 1.630 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)N[C@@H]2CC[NH2+][C@H]2C)c1 ZINC000627345619 450663395 /nfs/dbraw/zinc/66/33/95/450663395.db2.gz PTWPFJWNBPSOPC-WMLDXEAASA-N 2 0 346.475 1.011 20 0 EDADRP C[NH+](C)Cc1ccccc1CNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635126709 450672894 /nfs/dbraw/zinc/67/28/94/450672894.db2.gz GMCQEEQEWAHOKK-UHFFFAOYSA-N 2 0 333.476 1.723 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000624081845 450698890 /nfs/dbraw/zinc/69/88/90/450698890.db2.gz GQFXKQKSXMVVOM-INIZCTEOSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc4nncn4n3)C2)[C@H]2CCC[C@H]21 ZINC000624116969 450712619 /nfs/dbraw/zinc/71/26/19/450712619.db2.gz CNWKGAIERSXXSP-LVQVYYBASA-N 2 0 341.463 1.165 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522107 450724619 /nfs/dbraw/zinc/72/46/19/450724619.db2.gz XSWNMPXUKWWJIJ-CYBMUJFWSA-N 2 0 331.416 1.159 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(Br)cnc1OC ZINC000629524642 450724966 /nfs/dbraw/zinc/72/49/66/450724966.db2.gz RVVDLTVKJMKTPA-GFCCVEGCSA-N 2 0 332.242 1.696 20 0 EDADRP COc1ccc(CC[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC(F)F ZINC000629558694 450734250 /nfs/dbraw/zinc/73/42/50/450734250.db2.gz LWTVLDUFFHUZOD-AWEZNQCLSA-N 2 0 344.402 1.885 20 0 EDADRP COc1cccc(N2CC[C@@H](C[NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)c1 ZINC000629558346 450734481 /nfs/dbraw/zinc/73/44/81/450734481.db2.gz GDGHOVXDFLGMRD-FUHWJXTLSA-N 2 0 333.476 1.568 20 0 EDADRP C(c1nc(C2CCOCC2)no1)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000629575013 450744409 /nfs/dbraw/zinc/74/44/09/450744409.db2.gz MSFQMOJBRWCGAE-HNNXBMFYSA-N 2 0 334.464 1.828 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]([NH3+])CC(C)C)CC1 ZINC000621505373 450749438 /nfs/dbraw/zinc/74/94/38/450749438.db2.gz YZMGQFACBIZZMO-LJQANCHMSA-N 2 0 346.519 1.814 20 0 EDADRP FC(F)C(F)(F)COCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591832 450753272 /nfs/dbraw/zinc/75/32/72/450753272.db2.gz PFDQVVUVUSDQNZ-ZDUSSCGKSA-N 2 0 342.377 1.994 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccnc(-c3ccccc3)c2)CC1 ZINC000629611744 450762702 /nfs/dbraw/zinc/76/27/02/450762702.db2.gz DMFHKPNTLAHOGX-LJQANCHMSA-N 2 0 340.471 1.447 20 0 EDADRP C[NH+](C)CC1(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000635278364 450808778 /nfs/dbraw/zinc/80/87/78/450808778.db2.gz KEWOHHGYJMKQLK-UHFFFAOYSA-N 2 0 330.476 1.714 20 0 EDADRP Cc1ccc(C[N@@H+]2CCCN(C(=O)CN3C[C@@H]4C[C@H]3C[NH2+]4)CC2)cc1 ZINC000631848667 450822828 /nfs/dbraw/zinc/82/28/28/450822828.db2.gz HCLLJHSCGALRCG-OALUTQOASA-N 2 0 342.487 1.075 20 0 EDADRP CCN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000627618936 450849130 /nfs/dbraw/zinc/84/91/30/450849130.db2.gz MJXXMDLQCWOOCJ-UHFFFAOYSA-N 2 0 345.491 1.390 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c2ccccc21 ZINC000621751522 450857885 /nfs/dbraw/zinc/85/78/85/450857885.db2.gz IIKIGGXBDSRSRP-QAPCUYQASA-N 2 0 330.476 1.710 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C(C)(C)C[NH+]2CCOCC2)cc1 ZINC000635361107 450881940 /nfs/dbraw/zinc/88/19/40/450881940.db2.gz RBJHUCYGJFMHDS-UHFFFAOYSA-N 2 0 349.475 1.924 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631940371 450897341 /nfs/dbraw/zinc/89/73/41/450897341.db2.gz UVCRBWFZXKUWSV-DLBZAZTESA-N 2 0 343.537 1.514 20 0 EDADRP C[C@@H]1CC2(CN1S(=O)(=O)CCC[NH+]1CCCC1)CC[NH2+]CC2 ZINC000631946650 450904780 /nfs/dbraw/zinc/90/47/80/450904780.db2.gz GNKGYYMFQYFHRO-OAHLLOKOSA-N 2 0 329.510 1.266 20 0 EDADRP C[C@H]1CCC[C@](CNC(=O)NC2(C[NH3+])CCOCC2)([NH+](C)C)C1 ZINC000626944758 451024211 /nfs/dbraw/zinc/02/42/11/451024211.db2.gz APNSDHGZBKPXEG-YOEHRIQHSA-N 2 0 326.485 1.304 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000626953727 451031247 /nfs/dbraw/zinc/03/12/47/451031247.db2.gz CXPFKFKRIBALFR-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)c1ccco1 ZINC000626954938 451032286 /nfs/dbraw/zinc/03/22/86/451032286.db2.gz NVJRZZVONJKJTA-CQSZACIVSA-N 2 0 338.452 1.470 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)[NH+](C)C)CCOCC1)c1ccccc1 ZINC000635564385 451062662 /nfs/dbraw/zinc/06/26/62/451062662.db2.gz GPKYLFZMMUUJDH-HZPDHXFCSA-N 2 0 333.476 1.953 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000627027086 451088672 /nfs/dbraw/zinc/08/86/72/451088672.db2.gz IIAPHKSRYDSROG-MRXNPFEDSA-N 2 0 338.496 1.591 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000627078432 451113258 /nfs/dbraw/zinc/11/32/58/451113258.db2.gz PUURSEVKHXKVQI-CYDGBPFRSA-N 2 0 336.402 1.673 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635664846 451150125 /nfs/dbraw/zinc/15/01/25/451150125.db2.gz DXNPSCVKXLAXIC-GOSISDBHSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)C[N@H+](C)CC(C)(C)C)ccn1 ZINC000635747418 451215954 /nfs/dbraw/zinc/21/59/54/451215954.db2.gz TTZWHMAMBDCNNM-UHFFFAOYSA-N 2 0 336.480 1.616 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000638084589 451247510 /nfs/dbraw/zinc/24/75/10/451247510.db2.gz FMPMEVZPVAZSAO-HBFSDRIKSA-N 2 0 345.487 1.434 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000638085596 451249837 /nfs/dbraw/zinc/24/98/37/451249837.db2.gz RTUHUGLZRFMRNV-MAUKXSAKSA-N 2 0 335.448 1.010 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638087542 451252416 /nfs/dbraw/zinc/25/24/16/451252416.db2.gz STKRYYBRYMJWSU-LJHODMEESA-N 2 0 331.460 1.316 20 0 EDADRP C[C@H]1C[N@H+](CCOC2CCOCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000625276003 451253892 /nfs/dbraw/zinc/25/38/92/451253892.db2.gz JYQAWZJOUMFUIR-WMZOPIPTSA-N 2 0 325.497 1.140 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1nnn([C@H]2CC[NH2+]C2)c1C(F)F ZINC000638096965 451260532 /nfs/dbraw/zinc/26/05/32/451260532.db2.gz OQGDTXOSHUCDCO-QWRGUYRKSA-N 2 0 344.410 1.210 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000638101097 451266362 /nfs/dbraw/zinc/26/63/62/451266362.db2.gz SVURORPHNVUOPA-DAYGRLMNSA-N 2 0 333.476 1.944 20 0 EDADRP c1c(CCN2CC[NH2+]CC2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000630592678 451267806 /nfs/dbraw/zinc/26/78/06/451267806.db2.gz VFZBHGOGFBNZJX-LJQANCHMSA-N 2 0 340.475 1.173 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@@]3(C)C[NH2+]CCO3)cc21 ZINC000638123744 451294138 /nfs/dbraw/zinc/29/41/38/451294138.db2.gz RLLFWZVQSHIWRL-GOSISDBHSA-N 2 0 330.432 1.520 20 0 EDADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)CN2CC[NH2+]CC2)c1 ZINC000638130927 451302322 /nfs/dbraw/zinc/30/23/22/451302322.db2.gz BOHOIRCLLFBJMG-UHFFFAOYSA-N 2 0 346.519 1.830 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)CN3CC[NH2+]CC3)cc2)C1 ZINC000638133328 451305866 /nfs/dbraw/zinc/30/58/66/451305866.db2.gz KPKXMGPFMWDSFJ-MRXNPFEDSA-N 2 0 346.475 1.251 20 0 EDADRP C[C@@H](NC(=O)C1=CC[C@H]([NH3+])C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000638137739 451313341 /nfs/dbraw/zinc/31/33/41/451313341.db2.gz MUYUOLTYLWNFRA-CJNGLKHVSA-N 2 0 346.450 1.802 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000638142489 451316091 /nfs/dbraw/zinc/31/60/91/451316091.db2.gz CHWNXTOEOIRNRK-CEXWTWQISA-N 2 0 344.503 1.436 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000638272227 451390918 /nfs/dbraw/zinc/39/09/18/451390918.db2.gz JIODUWCCSHRXAL-FUHWJXTLSA-N 2 0 335.492 1.965 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1CCOC1 ZINC000638273401 451391626 /nfs/dbraw/zinc/39/16/26/451391626.db2.gz IXZMYYSIRAKMAH-AZUAARDMSA-N 2 0 348.487 1.784 20 0 EDADRP CN(C(=O)c1cnc(C[NH3+])nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638272366 451392220 /nfs/dbraw/zinc/39/22/20/451392220.db2.gz MNLSXIHCTVQMQV-INIZCTEOSA-N 2 0 325.416 1.282 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000636663174 451396033 /nfs/dbraw/zinc/39/60/33/451396033.db2.gz QLWAVYWACNXACT-GJZGRUSLSA-N 2 0 338.452 1.028 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)c1 ZINC000638277261 451396991 /nfs/dbraw/zinc/39/69/91/451396991.db2.gz SRWDMJQJQGOSQH-QZTJIDSGSA-N 2 0 349.475 1.134 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000640556614 451404422 /nfs/dbraw/zinc/40/44/22/451404422.db2.gz LLEHIGRUWRNDKS-MRXNPFEDSA-N 2 0 349.479 1.622 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)NC[C@]2([NH+](C)C)CCSC2)c1 ZINC000640562887 451408697 /nfs/dbraw/zinc/40/86/97/451408697.db2.gz KVXOIGFEWIMSKH-MRXNPFEDSA-N 2 0 337.493 1.702 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC000638292659 451409246 /nfs/dbraw/zinc/40/92/46/451409246.db2.gz XLYGFNWXUBYXFN-HKUYNNGSSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630807090 451412567 /nfs/dbraw/zinc/41/25/67/451412567.db2.gz DAGHSNLZNDILQB-IYBDPMFKSA-N 2 0 349.523 1.931 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)c1 ZINC000640575289 451420110 /nfs/dbraw/zinc/42/01/10/451420110.db2.gz LYXJSTWFZBTDBJ-HNNXBMFYSA-N 2 0 335.452 1.112 20 0 EDADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)[C@@H](C)[NH+](C)C)CC2)cc1 ZINC000635992975 451423460 /nfs/dbraw/zinc/42/34/60/451423460.db2.gz YONSKARTMOWGPI-CQSZACIVSA-N 2 0 346.475 1.676 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638328490 451436747 /nfs/dbraw/zinc/43/67/47/451436747.db2.gz JMBRZNVXWLXZPB-CEXWTWQISA-N 2 0 344.503 1.436 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@H]([NH3+])Cc2ccccc21 ZINC000638350254 451451354 /nfs/dbraw/zinc/45/13/54/451451354.db2.gz FEDWESUFMHXIOM-QZTJIDSGSA-N 2 0 338.455 1.362 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)[C@]12CCCO2 ZINC000638352605 451453878 /nfs/dbraw/zinc/45/38/78/451453878.db2.gz NBQZJBXFLWSBRE-WJFTUGDTSA-N 2 0 339.524 1.575 20 0 EDADRP COc1cc(C[C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)ccn1 ZINC000638352969 451454678 /nfs/dbraw/zinc/45/46/78/451454678.db2.gz POSCHEWYFLOLQI-SJLPKXTDSA-N 2 0 334.508 1.883 20 0 EDADRP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)O1 ZINC000634688399 451465220 /nfs/dbraw/zinc/46/52/20/451465220.db2.gz RCJVUINFONMDBP-BZUAXINKSA-N 2 0 333.480 1.566 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634698893 451470731 /nfs/dbraw/zinc/47/07/31/451470731.db2.gz ANHNIUDMHJHQRC-IRXDYDNUSA-N 2 0 328.497 1.523 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000638403019 451490840 /nfs/dbraw/zinc/49/08/40/451490840.db2.gz QCZBGMGTHDJHNJ-FUHWJXTLSA-N 2 0 331.460 1.933 20 0 EDADRP Nc1ccc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000638346952 451448782 /nfs/dbraw/zinc/44/87/82/451448782.db2.gz IPEKGFIIVHZEBR-UHFFFAOYSA-N 2 0 339.443 1.387 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC[C@H](O)C[NH+](C)C1CC1 ZINC000634724552 451505942 /nfs/dbraw/zinc/50/59/42/451505942.db2.gz SHVIGWZEOSXXOP-KPFFTGBYSA-N 2 0 331.504 1.799 20 0 EDADRP OCc1ccc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000638462917 451528121 /nfs/dbraw/zinc/52/81/21/451528121.db2.gz PMZQDSXIWYUKOD-UHFFFAOYSA-N 2 0 340.471 1.876 20 0 EDADRP O=C(N[C@]12CCC[C@@H]1C[NH2+]C2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000634768795 451536650 /nfs/dbraw/zinc/53/66/50/451536650.db2.gz YXKRIUTTXKSRAR-SCTDSRPQSA-N 2 0 328.460 1.552 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC[C@H]1C(F)(F)F ZINC000638546135 451571618 /nfs/dbraw/zinc/57/16/18/451571618.db2.gz BEFMFLPIRQMZGL-YUELXQCFSA-N 2 0 341.377 1.859 20 0 EDADRP C[C@@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000638550784 451572615 /nfs/dbraw/zinc/57/26/15/451572615.db2.gz JBAWZPDMCZCQJD-RBUKOAKNSA-N 2 0 330.520 1.986 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CC[C@@H]1C(F)(F)F ZINC000638564128 451578898 /nfs/dbraw/zinc/57/88/98/451578898.db2.gz SLHMFSFMROWGHV-WCABBAIRSA-N 2 0 347.303 1.514 20 0 EDADRP COc1ccc(CN2CC[C@@H]2CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC000636255334 451625295 /nfs/dbraw/zinc/62/52/95/451625295.db2.gz HBSFXKYQTCPOHK-MRXNPFEDSA-N 2 0 331.460 1.728 20 0 EDADRP Cc1nc(N)nc(NCC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000631177854 451627104 /nfs/dbraw/zinc/62/71/04/451627104.db2.gz ATECFDXTLIWYOY-CJNGLKHVSA-N 2 0 326.448 1.897 20 0 EDADRP FC(F)(F)c1ccn(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000635014322 451649142 /nfs/dbraw/zinc/64/91/42/451649142.db2.gz PRCUOARMKLTXOZ-RWMBFGLXSA-N 2 0 332.370 1.649 20 0 EDADRP FC(F)(F)c1ccn(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000635014323 451650346 /nfs/dbraw/zinc/65/03/46/451650346.db2.gz PRCUOARMKLTXOZ-YNEHKIRRSA-N 2 0 332.370 1.649 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1Cc2cncn2C1 ZINC000637023472 451684548 /nfs/dbraw/zinc/68/45/48/451684548.db2.gz OOUXKDOXSRGGGP-GDBMZVCRSA-N 2 0 327.432 1.628 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[NH2+]CCC1(F)F ZINC000638803816 451695515 /nfs/dbraw/zinc/69/55/15/451695515.db2.gz PJRAHJFQXIPNOJ-HOTGVXAUSA-N 2 0 337.414 1.870 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845456 451708765 /nfs/dbraw/zinc/70/87/65/451708765.db2.gz QEAAVDLVEGOULR-MBOZVWFJSA-N 2 0 343.471 1.481 20 0 EDADRP CCOc1ccc(NC(=O)CNC2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000638859821 451713108 /nfs/dbraw/zinc/71/31/08/451713108.db2.gz OGDAGFGXIQGHJH-UHFFFAOYSA-N 2 0 349.475 1.849 20 0 EDADRP CO[C@](C)(C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CC1 ZINC000638872630 451715585 /nfs/dbraw/zinc/71/55/85/451715585.db2.gz JTSDKKDWYBXKLD-LJQANCHMSA-N 2 0 333.476 1.883 20 0 EDADRP [NH3+][C@@H](CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1)Cc1ccccc1 ZINC000638876332 451716093 /nfs/dbraw/zinc/71/60/93/451716093.db2.gz FYQBJCQKCJYJRE-PZJWPPBQSA-N 2 0 337.467 1.994 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnc(OCC[NH+](C)C)c2)[C@]12CCCO2 ZINC000638902506 451726510 /nfs/dbraw/zinc/72/65/10/451726510.db2.gz OTPIXBIZEYKTEJ-ZHALLVOQSA-N 2 0 349.475 1.838 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NCc1ccccc1C[NH+]1CCCC1 ZINC000636501001 451739286 /nfs/dbraw/zinc/73/92/86/451739286.db2.gz QOLFUDVAEWJJAQ-SFHVURJKSA-N 2 0 346.475 1.148 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000641041345 451739723 /nfs/dbraw/zinc/73/97/23/451739723.db2.gz BAIBTKWBOINNKE-DOTOQJQBSA-N 2 0 334.464 1.739 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)CC1 ZINC000638981346 451745212 /nfs/dbraw/zinc/74/52/12/451745212.db2.gz RJYMVPGRSNZENO-INIZCTEOSA-N 2 0 333.480 1.754 20 0 EDADRP C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988452 451747705 /nfs/dbraw/zinc/74/77/05/451747705.db2.gz YQZPUANTNPVPEZ-GOEBONIOSA-N 2 0 348.447 1.404 20 0 EDADRP CC(C)NC(=O)c1cnn2c1C[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000639090086 451766135 /nfs/dbraw/zinc/76/61/35/451766135.db2.gz FWWRRRCLBLQMLH-BZUAXINKSA-N 2 0 347.507 1.656 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC[NH2+]C1CC1 ZINC000637307071 451786177 /nfs/dbraw/zinc/78/61/77/451786177.db2.gz PCWOBUDSDVVIQA-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP CC[C@](C)([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641230433 451791203 /nfs/dbraw/zinc/79/12/03/451791203.db2.gz REWMMZKRKULZAV-ROUUACIJSA-N 2 0 329.448 1.499 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000639325768 451826245 /nfs/dbraw/zinc/82/62/45/451826245.db2.gz BSIKIOYASZKXFZ-UHFFFAOYSA-N 2 0 325.497 1.637 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1 ZINC000639334282 451833299 /nfs/dbraw/zinc/83/32/99/451833299.db2.gz BZJCBPXHVRQANJ-UHFFFAOYSA-N 2 0 337.489 1.546 20 0 EDADRP Cc1cccc(C)c1OC[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562185 451863454 /nfs/dbraw/zinc/86/34/54/451863454.db2.gz AHZUCTAFUDHJNH-SFHVURJKSA-N 2 0 349.519 1.659 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000644562127 451863466 /nfs/dbraw/zinc/86/34/66/451863466.db2.gz XGGLXZDYUXYZIQ-ICSRJNTNSA-N 2 0 347.503 1.322 20 0 EDADRP CC(C)[NH+](CCC[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@H](C)C1)C(C)C ZINC000644581370 451873494 /nfs/dbraw/zinc/87/34/94/451873494.db2.gz GHOCPGRSLGZRTQ-KZNAEPCWSA-N 2 0 329.529 1.555 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000644583800 451876999 /nfs/dbraw/zinc/87/69/99/451876999.db2.gz LVIKILNEECLMEF-FGTMMUONSA-N 2 0 349.475 1.847 20 0 EDADRP O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000651521984 451887706 /nfs/dbraw/zinc/88/77/06/451887706.db2.gz MFJIWQRLOLKUQZ-SJORKVTESA-N 2 0 346.475 1.522 20 0 EDADRP CCOc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)CCO2 ZINC000644624716 451901969 /nfs/dbraw/zinc/90/19/69/451901969.db2.gz SLPIXTJSRZRGJH-QAPCUYQASA-N 2 0 349.475 1.107 20 0 EDADRP CN(Cc1ccccc1)C[C@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000644677949 451935159 /nfs/dbraw/zinc/93/51/59/451935159.db2.gz PQJAJQAMYBRCIP-HXUWFJFHSA-N 2 0 348.535 1.095 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC000649280678 451952407 /nfs/dbraw/zinc/95/24/07/451952407.db2.gz CVAGJKHOKXCLTQ-SJORKVTESA-N 2 0 333.480 1.022 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CN1CCCC[C@H]([NH3+])C1=O)CC(C)C ZINC000649285378 451959198 /nfs/dbraw/zinc/95/91/98/451959198.db2.gz UIFQJHDSFFYUQY-CVEARBPZSA-N 2 0 340.512 1.199 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@H]3C[NH2+]CCOC3)cc2)CC1 ZINC000649288560 451962092 /nfs/dbraw/zinc/96/20/92/451962092.db2.gz YXEZYCOIYLRRDW-IBGZPJMESA-N 2 0 345.487 1.771 20 0 EDADRP COc1cccc([C@H](CNC(=O)COC2(C)C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000649279327 451951157 /nfs/dbraw/zinc/95/11/57/451951157.db2.gz GCDHZMJZVIBSOK-KRWDZBQOSA-N 2 0 347.459 1.327 20 0 EDADRP COc1cc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000649301970 451978218 /nfs/dbraw/zinc/97/82/18/451978218.db2.gz CVRTUGPVSUJTDV-CVEARBPZSA-N 2 0 349.475 1.627 20 0 EDADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000649305300 451981503 /nfs/dbraw/zinc/98/15/03/451981503.db2.gz LGABLWDNAZKAQC-KZNAEPCWSA-N 2 0 331.460 1.392 20 0 EDADRP Cc1ncc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000639628504 451982714 /nfs/dbraw/zinc/98/27/14/451982714.db2.gz OCUIUISNBDZRIF-UHFFFAOYSA-N 2 0 343.431 1.249 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@H]4CC[N@H+](C)C[C@H]43)cn2)CC1 ZINC000637666193 452008399 /nfs/dbraw/zinc/00/83/99/452008399.db2.gz XXMVDIFYIJBOPV-RHSMWYFYSA-N 2 0 346.479 1.708 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000649332233 452013431 /nfs/dbraw/zinc/01/34/31/452013431.db2.gz IKOJOVOGNHXJIN-HNNXBMFYSA-N 2 0 334.468 1.199 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1)C(C)(C)C ZINC000649335769 452016026 /nfs/dbraw/zinc/01/60/26/452016026.db2.gz XWSBCBNEGTWEID-DZGCQCFKSA-N 2 0 336.484 1.126 20 0 EDADRP COC[C@]1(C(=O)N2CC[C@H]([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649342871 452023075 /nfs/dbraw/zinc/02/30/75/452023075.db2.gz VBMBLQULWDJXMU-HKUYNNGSSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@H]2CC[NH2+][C@@H]2C1)c1ccccc1 ZINC000643067084 452030262 /nfs/dbraw/zinc/03/02/62/452030262.db2.gz XQXGEPMSDXVXDB-KBAYOESNSA-N 2 0 330.476 1.089 20 0 EDADRP COC[C@]1(C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)CCC[NH2+]1 ZINC000649351705 452035037 /nfs/dbraw/zinc/03/50/37/452035037.db2.gz LBTCNBSBVXLIKP-IBGZPJMESA-N 2 0 346.475 1.141 20 0 EDADRP CN(C(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CC[NH+](CCn2cccn2)CC1 ZINC000649352519 452035138 /nfs/dbraw/zinc/03/51/38/452035138.db2.gz TUDCEDLRLMEQNY-WBVHZDCISA-N 2 0 333.480 1.181 20 0 EDADRP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C[NH+]1CCN(C)CC1 ZINC000649351412 452035952 /nfs/dbraw/zinc/03/59/52/452035952.db2.gz VMKFAEOLIKIDOD-XJKSGUPXSA-N 2 0 338.883 1.340 20 0 EDADRP [NH3+][C@@H](Cc1cn(Cc2ccccc2)cn1)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000649357679 452039826 /nfs/dbraw/zinc/03/98/26/452039826.db2.gz ADNJPLOSLYQWEQ-RYRKJORJSA-N 2 0 341.459 1.187 20 0 EDADRP C[NH+](C)Cc1ccc(N2CCN(C(=O)[C@@H]3CCC[C@@H]3C[NH3+])CC2)nc1 ZINC000649374027 452049024 /nfs/dbraw/zinc/04/90/24/452049024.db2.gz DPZKZFJRKHDDQH-IAGOWNOFSA-N 2 0 345.491 1.167 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)CC1 ZINC000647088030 452053292 /nfs/dbraw/zinc/05/32/92/452053292.db2.gz CAQMMGXVYPMLOA-MSOLQXFVSA-N 2 0 337.508 1.852 20 0 EDADRP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649417946 452080260 /nfs/dbraw/zinc/08/02/60/452080260.db2.gz PUHOCXZZQPJQMD-VYDXJSESSA-N 2 0 331.464 1.237 20 0 EDADRP C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC([NH3+])C1 ZINC000649418263 452080273 /nfs/dbraw/zinc/08/02/73/452080273.db2.gz QXHVDUJNOLEMFZ-UHFFFAOYSA-N 2 0 334.439 1.286 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000649480541 452102934 /nfs/dbraw/zinc/10/29/34/452102934.db2.gz JZJYQGNLFKMTJI-MGPQQGTHSA-N 2 0 340.493 1.356 20 0 EDADRP [NH3+]C1(CC(=O)NCC[NH2+]C2CC2)CCN(Cc2ccccc2)CC1 ZINC000637828041 452103414 /nfs/dbraw/zinc/10/34/14/452103414.db2.gz OOBWLKRKTCGGLP-UHFFFAOYSA-N 2 0 330.476 1.238 20 0 EDADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000637839565 452110094 /nfs/dbraw/zinc/11/00/94/452110094.db2.gz DVPUNDCBADNHRY-MRXNPFEDSA-N 2 0 330.476 1.190 20 0 EDADRP CNC(=O)[C@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000643295228 452121792 /nfs/dbraw/zinc/12/17/92/452121792.db2.gz GIDZOJACYSKJHI-KRWDZBQOSA-N 2 0 331.460 1.729 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NS(=O)(=O)CC[C@@H]1CCCCO1 ZINC000641620063 452140515 /nfs/dbraw/zinc/14/05/15/452140515.db2.gz COSAHHASJCTZIB-HOTGVXAUSA-N 2 0 349.541 1.137 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649561774 452144817 /nfs/dbraw/zinc/14/48/17/452144817.db2.gz IXVHSNGPJJAGAE-SFHVURJKSA-N 2 0 346.519 1.843 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000649574127 452150422 /nfs/dbraw/zinc/15/04/22/452150422.db2.gz ANTKYUJDMSAWOY-HOCLYGCPSA-N 2 0 348.466 1.897 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)COCC[NH3+])c1ccccc1Cl ZINC000645178680 452196391 /nfs/dbraw/zinc/19/63/91/452196391.db2.gz SBHXLAKVDZOJCW-HNNXBMFYSA-N 2 0 327.856 1.814 20 0 EDADRP C[C@H](CNC(=O)N1CCOC2(CC[NH+](C)CC2)C1)C[NH+]1CCCC1 ZINC000645190094 452203163 /nfs/dbraw/zinc/20/31/63/452203163.db2.gz UCSGYQKKYVDLSH-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000654012957 452203451 /nfs/dbraw/zinc/20/34/51/452203451.db2.gz MERRYZOTGROLSK-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP CO[C@]1(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CCOC1 ZINC000637984698 452228690 /nfs/dbraw/zinc/22/86/90/452228690.db2.gz KQBXJILKBIXJRC-BZSNNMDCSA-N 2 0 325.497 1.282 20 0 EDADRP CCCN(C(=O)NC1CC[NH+](CCCOC)CC1)[C@H]1CC[N@H+](C)C1 ZINC000645249524 452235273 /nfs/dbraw/zinc/23/52/73/452235273.db2.gz CZNDVRXUBDOHGK-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)CC1 ZINC000641785865 452257397 /nfs/dbraw/zinc/25/73/97/452257397.db2.gz GDPOMURBNLRPLA-LJQANCHMSA-N 2 0 338.540 1.247 20 0 EDADRP C[C@H](Cn1ncc2ccccc2c1=O)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647548498 452277131 /nfs/dbraw/zinc/27/71/31/452277131.db2.gz DFVGAHALHLVUBN-YALNPMBYSA-N 2 0 326.444 1.763 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@]2([NH3+])[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000655495062 452294093 /nfs/dbraw/zinc/29/40/93/452294093.db2.gz RSOJTNAKXGHZJA-QMTMVMCOSA-N 2 0 337.508 1.852 20 0 EDADRP CCCc1nc(C)c(CN2CCN(C(=O)N3CC[NH2+]CC3)CC2)o1 ZINC000641819962 452298937 /nfs/dbraw/zinc/29/89/37/452298937.db2.gz JVNFFVABQMYUML-UHFFFAOYSA-N 2 0 335.452 1.078 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)[C@H](C)C1 ZINC000659456945 452307691 /nfs/dbraw/zinc/30/76/91/452307691.db2.gz USXDUDIJCUQKII-JBCIKUTRSA-N 2 0 338.496 1.256 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C1=CC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000638051130 452324404 /nfs/dbraw/zinc/32/44/04/452324404.db2.gz XNXXLFNWQMRUGS-DOTOQJQBSA-N 2 0 329.444 1.996 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC23CC(C2)C[NH2+]3)C[N@@H+]1Cc1ccccc1 ZINC000659468487 452325379 /nfs/dbraw/zinc/32/53/79/452325379.db2.gz BFTXNCTYYCYLKH-BBPFYFEFSA-N 2 0 328.460 1.701 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000638052126 452328418 /nfs/dbraw/zinc/32/84/18/452328418.db2.gz XPHJWJDAZDJCQY-WMZOPIPTSA-N 2 0 329.444 1.996 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000665760099 452332368 /nfs/dbraw/zinc/33/23/68/452332368.db2.gz ZEHUTWAJKRPSBK-IKGGRYGDSA-N 2 0 341.544 1.240 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCc2ccc(C[NH3+])cc2F)CC1 ZINC000652140075 452333299 /nfs/dbraw/zinc/33/32/99/452333299.db2.gz CHBZOHIVELMCME-UHFFFAOYSA-N 2 0 338.427 1.194 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144689 452338510 /nfs/dbraw/zinc/33/85/10/452338510.db2.gz OONVPBPTHKJWLY-UXLLHSPISA-N 2 0 338.496 1.399 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)CN1CC[NH2+]CC1)c1cccc(OC)c1 ZINC000638054822 452339419 /nfs/dbraw/zinc/33/94/19/452339419.db2.gz FKQCIMGOFFNUEW-SFHVURJKSA-N 2 0 348.491 1.100 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000638062436 452356730 /nfs/dbraw/zinc/35/67/30/452356730.db2.gz NPHRPQAHZVYFRC-ICSRJNTNSA-N 2 0 345.487 1.796 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)C3=CC[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000638062891 452357981 /nfs/dbraw/zinc/35/79/81/452357981.db2.gz JRPRLERODANCPN-KHYOSLBOSA-N 2 0 343.471 1.960 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C)C[NH2+]CCO1)Cc1ccccc1 ZINC000638064589 452365325 /nfs/dbraw/zinc/36/53/25/452365325.db2.gz NONGBYINYWNULD-PKOBYXMFSA-N 2 0 333.476 1.434 20 0 EDADRP [NH3+]CCCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000659509674 452373477 /nfs/dbraw/zinc/37/34/77/452373477.db2.gz GXUIZBSHUKXQFI-QGZVFWFLSA-N 2 0 330.476 1.937 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000659511475 452375212 /nfs/dbraw/zinc/37/52/12/452375212.db2.gz QFEKUUXCTXUQEW-MOIQIXESSA-N 2 0 348.466 1.959 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC000652183101 452379298 /nfs/dbraw/zinc/37/92/98/452379298.db2.gz OLZBCFWVVKYSOD-BQFCYCMXSA-N 2 0 338.496 1.258 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000638073178 452384393 /nfs/dbraw/zinc/38/43/93/452384393.db2.gz CGMUKCWIQAGZIW-OALUTQOASA-N 2 0 344.503 1.533 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)CCC[NH2+]1 ZINC000659541559 452399178 /nfs/dbraw/zinc/39/91/78/452399178.db2.gz IPNKEFXODJGCRS-FUHWJXTLSA-N 2 0 338.496 1.176 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)NC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659551384 452407114 /nfs/dbraw/zinc/40/71/14/452407114.db2.gz TUBJRVZCTLNCGW-CVEARBPZSA-N 2 0 345.491 1.376 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H](C)[C@@H](C)[NH3+])cc1F ZINC000659552517 452410439 /nfs/dbraw/zinc/41/04/39/452410439.db2.gz ZHXGTRSONVNBRQ-ZSEWYUTFSA-N 2 0 338.427 1.315 20 0 EDADRP COC[C@]1(C(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)CC[NH2+]C1 ZINC000645473516 452442752 /nfs/dbraw/zinc/44/27/52/452442752.db2.gz RHJAEOXTEDQGLJ-FQEVSTJZSA-N 2 0 345.487 1.655 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC(C)(C)CC[NH3+])cc1 ZINC000659587562 452443277 /nfs/dbraw/zinc/44/32/77/452443277.db2.gz ROHDMTLTOKIPFH-IRXDYDNUSA-N 2 0 348.491 1.957 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC[C@H](C)[NH3+])cc1F ZINC000659599025 452455270 /nfs/dbraw/zinc/45/52/70/452455270.db2.gz WANKWGRUKKOMEA-WHOFXGATSA-N 2 0 338.427 1.316 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C[NH3+] ZINC000659603172 452459026 /nfs/dbraw/zinc/45/90/26/452459026.db2.gz VEWDPWICAIOORY-BFYDXBDKSA-N 2 0 338.496 1.399 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000659609149 452465954 /nfs/dbraw/zinc/46/59/54/452465954.db2.gz TUCWKQRNLQADSQ-JKSUJKDBSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000652291161 452475331 /nfs/dbraw/zinc/47/53/31/452475331.db2.gz HLUYHMGFFFGVIY-QGZVFWFLSA-N 2 0 334.464 1.052 20 0 EDADRP COc1cccc([C@@H](C)NC(=O)NCCN(C)CCC[NH+](C)C)c1 ZINC000663755258 452485328 /nfs/dbraw/zinc/48/53/28/452485328.db2.gz IGGCYDSHXLWZLQ-OAHLLOKOSA-N 2 0 336.480 1.939 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@H](CCF)C2)C1 ZINC000661694981 452500838 /nfs/dbraw/zinc/50/08/38/452500838.db2.gz LFXAYZXTFVNBDZ-IAGOWNOFSA-N 2 0 343.487 1.531 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000652340981 452513665 /nfs/dbraw/zinc/51/36/65/452513665.db2.gz RNZXWFVEGGWSQE-AWEZNQCLSA-N 2 0 337.489 1.688 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CCC3CC[NH2+]CC3)nc2)CC1 ZINC000645552413 452519068 /nfs/dbraw/zinc/51/90/68/452519068.db2.gz WIECPSMOBPPHCE-UHFFFAOYSA-N 2 0 331.464 1.552 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647786765 452522741 /nfs/dbraw/zinc/52/27/41/452522741.db2.gz YKFYUVGSCDOUSP-YESZJQIVSA-N 2 0 337.489 1.214 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CC(=O)NCc2cccnc2)C1 ZINC000652362926 452544976 /nfs/dbraw/zinc/54/49/76/452544976.db2.gz SSKJZAUGIIOXAJ-IKGGRYGDSA-N 2 0 332.448 1.059 20 0 EDADRP CNC(=O)c1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652363168 452545811 /nfs/dbraw/zinc/54/58/11/452545811.db2.gz ZMZPFFKFASPBSX-KSZLIROESA-N 2 0 331.460 1.907 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NCC1([NH3+])CCCC1)Cc1ccccc1 ZINC000659681291 452555311 /nfs/dbraw/zinc/55/53/11/452555311.db2.gz DZEVELXSOIQCNS-UHFFFAOYSA-N 2 0 346.475 1.012 20 0 EDADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000647831843 452566575 /nfs/dbraw/zinc/56/65/75/452566575.db2.gz QGACYGNHRFWDQF-QFBILLFUSA-N 2 0 344.503 1.599 20 0 EDADRP C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000647833930 452567521 /nfs/dbraw/zinc/56/75/21/452567521.db2.gz UNEWGEMQWJCSIA-PKOBYXMFSA-N 2 0 344.503 1.750 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000659698948 452584240 /nfs/dbraw/zinc/58/42/40/452584240.db2.gz SWFQAQZBKOBVDP-NVXWUHKLSA-N 2 0 346.475 1.054 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657947881 452628264 /nfs/dbraw/zinc/62/82/64/452628264.db2.gz FOQSYHFYDBJQBT-HNNXBMFYSA-N 2 0 343.431 1.572 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)C1CC1 ZINC000663919707 452644881 /nfs/dbraw/zinc/64/48/81/452644881.db2.gz ICGBAIGFQKNLMY-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000655920104 452681615 /nfs/dbraw/zinc/68/16/15/452681615.db2.gz HMNPRVWJTIRTHS-KBPBESRZSA-N 2 0 344.381 1.792 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000655927817 452696451 /nfs/dbraw/zinc/69/64/51/452696451.db2.gz JVVIVWVSXNSJIZ-ZIAGYGMSSA-N 2 0 344.381 1.697 20 0 EDADRP Cc1cc(=O)n2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)sc2n1 ZINC000647976159 452720566 /nfs/dbraw/zinc/72/05/66/452720566.db2.gz KZXMXZOFZBZTPD-ZIAGYGMSSA-N 2 0 347.488 1.671 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659860674 452742139 /nfs/dbraw/zinc/74/21/39/452742139.db2.gz AYSQCQURTDGZSZ-SFHVURJKSA-N 2 0 327.513 1.122 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000652624251 452781239 /nfs/dbraw/zinc/78/12/39/452781239.db2.gz DUTJYLZMRLXLOZ-UHFFFAOYSA-N 2 0 346.475 1.365 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)NCCC2CC[NH2+]CC2)cc1 ZINC000652643491 452800464 /nfs/dbraw/zinc/80/04/64/452800464.db2.gz MZKBEZLUAYJOAL-UHFFFAOYSA-N 2 0 346.475 1.235 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)CC[N@@H+]1C ZINC000648117327 452832911 /nfs/dbraw/zinc/83/29/11/452832911.db2.gz SHBXYSHWKYYLPU-KBAYOESNSA-N 2 0 330.476 1.893 20 0 EDADRP C[C@@H](NC(=O)[C@H]1[NH2+]CC1(C)C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000645839499 452838301 /nfs/dbraw/zinc/83/83/01/452838301.db2.gz PSELZYDKTWUZSL-CXAGYDPISA-N 2 0 348.466 1.753 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)[C@H](C)C1 ZINC000654734434 452859453 /nfs/dbraw/zinc/85/94/53/452859453.db2.gz KWOGLZBEAHIERO-TWMKSMIVSA-N 2 0 338.496 1.100 20 0 EDADRP [NH3+]C1(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167945 452878975 /nfs/dbraw/zinc/87/89/75/452878975.db2.gz JUCUUANELNCDTQ-MJGOQNOKSA-N 2 0 339.483 1.958 20 0 EDADRP [NH3+]CCc1nc(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)cs1 ZINC000648178979 452891611 /nfs/dbraw/zinc/89/16/11/452891611.db2.gz GJWWHWSDQMGTLZ-UHFFFAOYSA-N 2 0 334.489 1.528 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982506 452892150 /nfs/dbraw/zinc/89/21/50/452892150.db2.gz OUAZVJGUWWRQSY-INIZCTEOSA-N 2 0 339.505 1.758 20 0 EDADRP O=C(c1ccc(F)cc1)N1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662250178 452976185 /nfs/dbraw/zinc/97/61/85/452976185.db2.gz AEEVWRMIYVSXDN-QGZVFWFLSA-N 2 0 347.434 1.495 20 0 EDADRP c1ccn2c(c1)nnc2[C@@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662260172 452990031 /nfs/dbraw/zinc/99/00/31/452990031.db2.gz GVYDSEPYTAQKLE-HUUCEWRRSA-N 2 0 327.432 1.430 20 0 EDADRP CCCCOCCNC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290995 453013866 /nfs/dbraw/zinc/01/38/66/453013866.db2.gz AYJHMQPUXYNAGD-KRWDZBQOSA-N 2 0 325.497 1.631 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCCC[C@@H]1C ZINC000666627442 453019433 /nfs/dbraw/zinc/01/94/33/453019433.db2.gz RSWQFGLOFKHJNB-KBPBESRZSA-N 2 0 332.448 1.463 20 0 EDADRP O=C1[C@@H]([N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298162 453020418 /nfs/dbraw/zinc/02/04/18/453020418.db2.gz UTBIYVCZVXOIKE-KGLIPLIRSA-N 2 0 333.398 1.861 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297995 453020598 /nfs/dbraw/zinc/02/05/98/453020598.db2.gz SVQNWLGKKNBSBG-WBVHZDCISA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+][C@@H]1CCc2ccccc2N(CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000662303999 453025088 /nfs/dbraw/zinc/02/50/88/453025088.db2.gz ZQZMEWAOKWWFGM-MRXNPFEDSA-N 2 0 342.487 1.510 20 0 EDADRP CO[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@H]1CCOC1 ZINC000660141070 453072187 /nfs/dbraw/zinc/07/21/87/453072187.db2.gz QZLYLSRHFMXROV-CGTJXYLNSA-N 2 0 325.497 1.138 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000644155047 453087536 /nfs/dbraw/zinc/08/75/36/453087536.db2.gz SGHRJPPAYUMITO-OAHLLOKOSA-N 2 0 325.403 1.853 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000662387443 453096851 /nfs/dbraw/zinc/09/68/51/453096851.db2.gz IDCWTINBWBZPNY-UHFFFAOYSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000662396449 453106494 /nfs/dbraw/zinc/10/64/94/453106494.db2.gz BTJZGIFDEVKJPN-XJKSGUPXSA-N 2 0 345.422 1.658 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000664473498 453125541 /nfs/dbraw/zinc/12/55/41/453125541.db2.gz RZGPPGGJSNFVKH-BRWVUGGUSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000662426047 453132716 /nfs/dbraw/zinc/13/27/16/453132716.db2.gz ROZQOAPVSRGCCI-INIZCTEOSA-N 2 0 339.505 1.829 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000662429954 453136856 /nfs/dbraw/zinc/13/68/56/453136856.db2.gz MBIXLNJSULVBES-GFCCVEGCSA-N 2 0 328.420 1.152 20 0 EDADRP CN1CCN(C(=O)Nc2cccc(OC[C@H]3CCCO3)c2)[C@H](C[NH3+])C1 ZINC000666778822 453142052 /nfs/dbraw/zinc/14/20/52/453142052.db2.gz FXAPYOJEEOWKPU-NVXWUHKLSA-N 2 0 348.447 1.351 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2C(=O)C1C[NH+](C2CCCCC2)C1 ZINC000655027928 453150669 /nfs/dbraw/zinc/15/06/69/453150669.db2.gz GZIRMCKZIHCNHF-CEXWTWQISA-N 2 0 349.519 1.961 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H](NC(=O)c3cc4c(s3)CC[NH2+]C4)C2)CC1 ZINC000662458247 453166288 /nfs/dbraw/zinc/16/62/88/453166288.db2.gz RWYBHDJWESRCRL-CQSZACIVSA-N 2 0 348.516 1.292 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000646183689 453194316 /nfs/dbraw/zinc/19/43/16/453194316.db2.gz MHCBEYJOGDPMIK-XYJFISCASA-N 2 0 328.460 1.881 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]C[C@H]1CCOc2ccccc21)N1CC[NH2+]CC1 ZINC000666899053 453225584 /nfs/dbraw/zinc/22/55/84/453225584.db2.gz VMGUWNABBGFCEX-CJNGLKHVSA-N 2 0 343.393 1.978 20 0 EDADRP C[C@@H]1CN(C(=O)c2sc3c(c2Br)CNC3)[C@H](C)C[NH2+]1 ZINC000662515583 453233496 /nfs/dbraw/zinc/23/34/96/453233496.db2.gz WYGJJZYECWICBD-HTQZYQBOSA-N 2 0 344.278 1.936 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000648758298 453240054 /nfs/dbraw/zinc/24/00/54/453240054.db2.gz MYKWMLNOJPRNDW-WNRNVDISSA-N 2 0 336.524 1.344 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@H](N)CC[NH+](C)C ZINC000653121466 453313684 /nfs/dbraw/zinc/31/36/84/453313684.db2.gz WANYHWRRQZGAPS-KBAYOESNSA-N 2 0 332.492 1.292 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662614236 453333822 /nfs/dbraw/zinc/33/38/22/453333822.db2.gz NZAHJRBBLYKHOE-MJGOQNOKSA-N 2 0 335.492 1.383 20 0 EDADRP Cn1ccnc1[C@H](NC(=O)NCC1([NH+](C)C)CCC1)C(C)(C)CO ZINC000664721569 453349475 /nfs/dbraw/zinc/34/94/75/453349475.db2.gz SRNVZZCQFIFICL-ZDUSSCGKSA-N 2 0 337.468 1.263 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)[C@H](N)CC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000653158195 453351399 /nfs/dbraw/zinc/35/13/99/453351399.db2.gz XIJJXWBTUQAQSC-BHIYHBOVSA-N 3 0 346.519 1.682 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+]1C ZINC000648880168 453355236 /nfs/dbraw/zinc/35/52/36/453355236.db2.gz YHIJZKZMFYCNNP-NZSAHSFTSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653169042 453360202 /nfs/dbraw/zinc/36/02/02/453360202.db2.gz ZYWNHXOFDQWIEJ-WMZOPIPTSA-N 3 0 338.540 1.769 20 0 EDADRP NC(=O)[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000656676231 453360367 /nfs/dbraw/zinc/36/03/67/453360367.db2.gz GSHHKWWQYFLKNQ-GOSISDBHSA-N 2 0 349.450 1.833 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653181926 453371381 /nfs/dbraw/zinc/37/13/81/453371381.db2.gz LJSAABRRNPMGBA-YQVWRLOYSA-N 2 0 345.487 1.807 20 0 EDADRP O=C(CCOC1C[NH2+]C1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646409988 453372400 /nfs/dbraw/zinc/37/24/00/453372400.db2.gz IXNHKSCOVHJFTC-GOSISDBHSA-N 2 0 331.460 1.708 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000653183755 453373800 /nfs/dbraw/zinc/37/38/00/453373800.db2.gz JJQFNTIFJQBDFF-JONQDZQNSA-N 2 0 325.497 1.756 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC000653185277 453376890 /nfs/dbraw/zinc/37/68/90/453376890.db2.gz YXWZHHXFZZMTNT-UNEWFSDZSA-N 2 0 328.416 1.693 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662670081 453384245 /nfs/dbraw/zinc/38/42/45/453384245.db2.gz DEAPTZKGHTZERJ-HNNXBMFYSA-N 2 0 334.468 1.197 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000662674216 453390714 /nfs/dbraw/zinc/39/07/14/453390714.db2.gz ZYGPSCOHEBTRMO-ZWKOTPCHSA-N 2 0 331.460 1.174 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000667082916 453393686 /nfs/dbraw/zinc/39/36/86/453393686.db2.gz CZDARZDEOUPUAJ-INIZCTEOSA-N 2 0 336.436 1.127 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)[C@H](N)CC[NH+](C)C ZINC000653202612 453397300 /nfs/dbraw/zinc/39/73/00/453397300.db2.gz PDRKKGJDKPRMQI-IMBTUZDBSA-N 2 0 346.519 1.775 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662693486 453414246 /nfs/dbraw/zinc/41/42/46/453414246.db2.gz QHMNSOXBTXQZDH-MRXNPFEDSA-N 2 0 348.495 1.445 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662699627 453420275 /nfs/dbraw/zinc/42/02/75/453420275.db2.gz CYEQYOBOSKOUCX-IRXDYDNUSA-N 2 0 348.535 1.678 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662726199 453452584 /nfs/dbraw/zinc/45/25/84/453452584.db2.gz FRHOUVHHRBDMGO-OWYHZJEWSA-N 2 0 345.487 1.862 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000662733691 453458518 /nfs/dbraw/zinc/45/85/18/453458518.db2.gz VJYQYOLTYAMIFP-GJZGRUSLSA-N 2 0 341.521 1.218 20 0 EDADRP O=C(N1CC[C@@H](C[NH+]2CCCCC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662746425 453475000 /nfs/dbraw/zinc/47/50/00/453475000.db2.gz PLFRXQKJZXFRRI-DZGCQCFKSA-N 2 0 333.398 1.863 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)CC3([NH3+])CC3)cc2)CC1 ZINC000662755957 453492529 /nfs/dbraw/zinc/49/25/29/453492529.db2.gz DTRCGDOPQJVNOT-UHFFFAOYSA-N 2 0 330.476 1.322 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000662788013 453522709 /nfs/dbraw/zinc/52/27/09/453522709.db2.gz FVTHEFGPYQPBPB-RTBURBONSA-N 2 0 345.487 1.517 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000655449461 453536470 /nfs/dbraw/zinc/53/64/70/453536470.db2.gz HIAJHHRZULLCRA-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[NH2+]C2CC2)cc1 ZINC000667293276 453540413 /nfs/dbraw/zinc/54/04/13/453540413.db2.gz MPUSATAYOZHCQY-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000662817640 453549292 /nfs/dbraw/zinc/54/92/92/453549292.db2.gz XVYZBGHVXGZGES-LZZSGRCPSA-N 2 0 345.409 1.798 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cc3c(s2)CC[NH2+]C3)C1 ZINC000662830102 453555630 /nfs/dbraw/zinc/55/56/30/453555630.db2.gz JLGPKYOJSGRSIY-ILXRZTDVSA-N 2 0 349.500 1.895 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000662858291 453573516 /nfs/dbraw/zinc/57/35/16/453573516.db2.gz GFFKOUGCILOJKB-YJBOKZPZSA-N 2 0 330.476 1.798 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000662859479 453574095 /nfs/dbraw/zinc/57/40/95/453574095.db2.gz NGRLHIINHJBHHD-OTWHNJEPSA-N 2 0 343.471 1.400 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@H]2CC[NH2+]C2)cc1F ZINC000662871333 453582039 /nfs/dbraw/zinc/58/20/39/453582039.db2.gz XNBQPZOZVABTPF-QRTARXTBSA-N 2 0 349.450 1.786 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)CC[C@@H]2CC[NH2+]C2)cc1F ZINC000662871332 453582062 /nfs/dbraw/zinc/58/20/62/453582062.db2.gz XNBQPZOZVABTPF-KMFMINBZSA-N 2 0 349.450 1.786 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C[NH+]1CCCC1 ZINC000660828407 453591933 /nfs/dbraw/zinc/59/19/33/453591933.db2.gz CBWJLYLFHDETSJ-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000660854575 453611616 /nfs/dbraw/zinc/61/16/16/453611616.db2.gz ZIFYMDSOSSNYPD-IAGOWNOFSA-N 2 0 339.528 1.042 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659096364 453629403 /nfs/dbraw/zinc/62/94/03/453629403.db2.gz PGPDRRPIIBLEKZ-INIZCTEOSA-N 2 0 346.475 1.724 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000665270646 453631372 /nfs/dbraw/zinc/63/13/72/453631372.db2.gz LDMFHFSUWPNAGH-SJORKVTESA-N 2 0 337.533 1.804 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000659100506 453633458 /nfs/dbraw/zinc/63/34/58/453633458.db2.gz BDJPPEQYFGLORT-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP CC[C@H](NC[C@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285636 453635765 /nfs/dbraw/zinc/63/57/65/453635765.db2.gz SETBQRWUPHCIAN-UFYCRDLUSA-N 2 0 330.520 1.923 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCc3c2cnn3C)CC1 ZINC000665285731 453635930 /nfs/dbraw/zinc/63/59/30/453635930.db2.gz VGIQWXMCSNQOTE-MRXNPFEDSA-N 2 0 333.480 1.378 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](CO)Cc2ccccc2)CC1 ZINC000661091044 453711298 /nfs/dbraw/zinc/71/12/98/453711298.db2.gz DVXWIPDJPVAEKK-FQEVSTJZSA-N 2 0 333.520 1.938 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)Nc1cccc(-n2cccn2)c1 ZINC000665609381 453764992 /nfs/dbraw/zinc/76/49/92/453764992.db2.gz DBTIFFIGWTTXMZ-UHFFFAOYSA-N 2 0 344.463 1.877 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663363823 453780249 /nfs/dbraw/zinc/78/02/49/453780249.db2.gz NCOBTNWPMVFEAQ-VQTJNVASSA-N 2 0 347.503 1.322 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1)C(C)C ZINC000663421029 453793491 /nfs/dbraw/zinc/79/34/91/453793491.db2.gz WJZRUMGJAPDQAH-KRWDZBQOSA-N 2 0 340.512 1.346 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000663505470 453812013 /nfs/dbraw/zinc/81/20/13/453812013.db2.gz INXIAHUWQGFZJP-OKZBNKHCSA-N 3 0 336.524 1.487 20 0 EDADRP c1c([C@H]2CCC[N@@H+](C[C@@H]3CCSC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663509980 453812900 /nfs/dbraw/zinc/81/29/00/453812900.db2.gz DIZQVRRIQJWPGF-GJZGRUSLSA-N 2 0 335.521 1.752 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](C[C@H]3CCSC3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000663509984 453813084 /nfs/dbraw/zinc/81/30/84/453813084.db2.gz DIZQVRRIQJWPGF-HUUCEWRRSA-N 2 0 335.521 1.752 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)Nc2cccc3c2CC[NH2+]C3)n1 ZINC000667746347 486946193 /nfs/dbraw/zinc/94/61/93/486946193.db2.gz KUZKRIUFJVNNES-UHFFFAOYSA-N 2 0 328.420 1.734 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)Nc3cnc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000667800742 486971864 /nfs/dbraw/zinc/97/18/64/486971864.db2.gz NAXXUYYAPPQSJW-HNNXBMFYSA-N 2 0 343.475 1.923 20 0 EDADRP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681219119 486977040 /nfs/dbraw/zinc/97/70/40/486977040.db2.gz URIKUBWPTCDNBE-CRAIPNDOSA-N 2 0 349.523 1.033 20 0 EDADRP Cc1ccc(CC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000677138025 486983376 /nfs/dbraw/zinc/98/33/76/486983376.db2.gz XGVQXMFOWPKZGU-UHFFFAOYSA-N 2 0 342.443 1.854 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000684256111 487004238 /nfs/dbraw/zinc/00/42/38/487004238.db2.gz BCGLSUXPUPEZRK-OTWHNJEPSA-N 2 0 342.487 1.854 20 0 EDADRP CN(c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1)S(C)(=O)=O ZINC000677242013 487018855 /nfs/dbraw/zinc/01/88/55/487018855.db2.gz WDERPLGREBPQAS-DOTOQJQBSA-N 2 0 337.489 1.799 20 0 EDADRP C[C@@H](C(=O)N(C)[C@H]1CCCC[C@H]1[N@H+](C)C1CCN(C)CC1)[NH+](C)C ZINC000677290647 487034070 /nfs/dbraw/zinc/03/40/70/487034070.db2.gz ONBYVTLZTCTBHU-JQHSSLGASA-N 2 0 338.540 1.732 20 0 EDADRP O=C(C[N@@H+]1CCOCC2(CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000681474973 487057659 /nfs/dbraw/zinc/05/76/59/487057659.db2.gz GZILWNMCIVMPCL-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC[C@H]2CCS(=O)(=O)C2)C1 ZINC000677687512 487151570 /nfs/dbraw/zinc/15/15/70/487151570.db2.gz ACZMRBNOKLZCHM-HOTGVXAUSA-N 2 0 332.510 1.244 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@@H]2CNc3ccnn3C2)ccn1 ZINC000677811701 487173138 /nfs/dbraw/zinc/17/31/38/487173138.db2.gz MVPGVCMRNFUBHA-OAHLLOKOSA-N 2 0 330.436 1.050 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1)[NH+](C)C ZINC000674245543 487222543 /nfs/dbraw/zinc/22/25/43/487222543.db2.gz PKRZVCFYNDBEOG-XHSDSOJGSA-N 2 0 333.476 1.862 20 0 EDADRP Cc1nn2c(C[NH2+]CCCN3CCC[N@@H+](C)CC3)c(C)nc2s1 ZINC000678012815 487227897 /nfs/dbraw/zinc/22/78/97/487227897.db2.gz SKBJPGVVDLJFRR-UHFFFAOYSA-N 2 0 336.509 1.525 20 0 EDADRP CN(C)c1ncc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685457603 487277978 /nfs/dbraw/zinc/27/79/78/487277978.db2.gz GIYNDZQBBHSDQA-OAHLLOKOSA-N 2 0 337.537 1.809 20 0 EDADRP Cn1cc(CN(CC[NH+](C)C)CC[NH+](C)C)c(-c2ccncc2)n1 ZINC000685456950 487278577 /nfs/dbraw/zinc/27/85/77/487278577.db2.gz GOMXKCZAJFERQT-UHFFFAOYSA-N 2 0 330.480 1.407 20 0 EDADRP COc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(OC)n1 ZINC000682228135 487325868 /nfs/dbraw/zinc/32/58/68/487325868.db2.gz PWOGYVGWCYDLDU-UHFFFAOYSA-N 2 0 339.440 1.056 20 0 EDADRP COc1ccc2c(c1)C(C)(C)C[C@@H]2[NH2+]CC(=O)N1CCN(C)CC1 ZINC000682733426 487410893 /nfs/dbraw/zinc/41/08/93/487410893.db2.gz XNPZJYVUDUFZPV-KRWDZBQOSA-N 2 0 331.460 1.781 20 0 EDADRP C[NH+]1CCCC[C@H]1CCC(=O)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000672900348 485492075 /nfs/dbraw/zinc/49/20/75/485492075.db2.gz ZRVDWMZPGQDDND-ROUUACIJSA-N 2 0 336.524 1.489 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)NC[C@H]1CCCC[NH2+]1 ZINC000669550945 485544244 /nfs/dbraw/zinc/54/42/44/485544244.db2.gz QHYDKWJWNKNCNI-MRXNPFEDSA-N 2 0 331.464 1.739 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)NC/C=C\C[NH3+])cc2)C[C@@H](C)O1 ZINC000669121510 485701720 /nfs/dbraw/zinc/70/17/20/485701720.db2.gz ICFGVUCXTMOTRH-JGPFYOFESA-N 2 0 346.475 1.610 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C(=O)NCCC1CCCCC1 ZINC000671078886 485757334 /nfs/dbraw/zinc/75/73/34/485757334.db2.gz ZKVRJXWPVQGUOG-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](C2CCOCC2)CC1)C1CC[NH+](C)CC1 ZINC000673879653 485858884 /nfs/dbraw/zinc/85/88/84/485858884.db2.gz MQBJOBNFRMEGAZ-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000669323277 485970219 /nfs/dbraw/zinc/97/02/19/485970219.db2.gz GXYVRZZTUANPQY-JQHSSLGASA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CCO1 ZINC000669406518 486080624 /nfs/dbraw/zinc/08/06/24/486080624.db2.gz UMENZPBDUBHKBM-RBSFLKMASA-N 2 0 326.485 1.255 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@@H]1C[NH2+]CCO1 ZINC000669420290 486138977 /nfs/dbraw/zinc/13/89/77/486138977.db2.gz IANVRNRIEUDHBJ-MSOLQXFVSA-N 2 0 346.475 1.186 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420292 486139993 /nfs/dbraw/zinc/13/99/93/486139993.db2.gz IANVRNRIEUDHBJ-ROUUACIJSA-N 2 0 346.475 1.186 20 0 EDADRP C[C@@H](NC(=O)NCC1C[NH2+]C1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000669443407 486200513 /nfs/dbraw/zinc/20/05/13/486200513.db2.gz SHEKGGGNRHUDPX-CYBMUJFWSA-N 2 0 349.454 1.157 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000570584370 486205267 /nfs/dbraw/zinc/20/52/67/486205267.db2.gz NAVSGWSMGWATEM-LMMKCTJWSA-N 2 0 341.540 1.510 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406106 486448887 /nfs/dbraw/zinc/44/88/87/486448887.db2.gz GTOVHBIGPABWKY-MSOLQXFVSA-N 2 0 330.476 1.186 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000670503668 486598869 /nfs/dbraw/zinc/59/88/69/486598869.db2.gz PNUONLZHYDYBIJ-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP CCC(=O)N1CCC([NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000089144843 491196340 /nfs/dbraw/zinc/19/63/40/491196340.db2.gz QZNQZPUPGPXBIT-HOTGVXAUSA-N 2 0 325.497 1.866 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)CC1 ZINC000080054381 491170168 /nfs/dbraw/zinc/17/01/68/491170168.db2.gz TYFHTXAQBYATRA-KRWDZBQOSA-N 2 0 341.496 1.007 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000080072832 491170575 /nfs/dbraw/zinc/17/05/75/491170575.db2.gz UTOXGCGORPDCOP-CVEARBPZSA-N 2 0 340.512 1.659 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000081768029 491181425 /nfs/dbraw/zinc/18/14/25/491181425.db2.gz PGJCZMNLAVACCP-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1CCC[NH+]1CCOC ZINC000353113454 534905265 /nfs/dbraw/zinc/90/52/65/534905265.db2.gz QNWDSPYNNREHKC-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262691713 535059600 /nfs/dbraw/zinc/05/96/00/535059600.db2.gz ARWZEFJLJBLUAD-ZBFHGGJFSA-N 2 0 332.448 1.306 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262660922 535316458 /nfs/dbraw/zinc/31/64/58/535316458.db2.gz GASPXOYBBAUQND-RBUKOAKNSA-N 2 0 347.503 1.922 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NCC[NH+](C)C ZINC000270622632 535555575 /nfs/dbraw/zinc/55/55/75/535555575.db2.gz DLEHZBCXLRWKPC-UHFFFAOYSA-N 2 0 336.480 1.768 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@H+](C)CCOC)c1ccco1 ZINC000263802900 535658685 /nfs/dbraw/zinc/65/86/85/535658685.db2.gz WKIUPIXJZCMSQX-HNNXBMFYSA-N 2 0 340.468 1.540 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccccc1 ZINC000261699905 535675132 /nfs/dbraw/zinc/67/51/32/535675132.db2.gz OODGJJUZPLTWQX-MJGOQNOKSA-N 2 0 333.476 1.812 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000263301092 535688242 /nfs/dbraw/zinc/68/82/42/535688242.db2.gz DFRWMNTYSNVYDJ-SFHVURJKSA-N 2 0 332.492 1.610 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000236875414 535689245 /nfs/dbraw/zinc/68/92/45/535689245.db2.gz SLMMRGCCOFNJGG-MSOLQXFVSA-N 2 0 338.540 1.546 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)CC1 ZINC000236951652 535714267 /nfs/dbraw/zinc/71/42/67/535714267.db2.gz YYKXOCXBBTVWST-OWSLCNJRSA-N 2 0 336.524 1.297 20 0 EDADRP CCOC(=O)c1coc(C[NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)c1 ZINC000354353643 535718993 /nfs/dbraw/zinc/71/89/93/535718993.db2.gz VHIVYBDAPJPWCS-OAHLLOKOSA-N 2 0 337.464 1.820 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C2([NH3+])CC2)CC1 ZINC000261843138 535746349 /nfs/dbraw/zinc/74/63/49/535746349.db2.gz ANMHZCLKZCOTEW-CYBMUJFWSA-N 2 0 334.439 1.636 20 0 EDADRP CC[C@]1(C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)CCC[NH2+]1 ZINC000248751289 535878423 /nfs/dbraw/zinc/87/84/23/535878423.db2.gz UCIMCUOZQRNJQB-TXPKVOOTSA-N 2 0 337.508 1.866 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717677 535954863 /nfs/dbraw/zinc/95/48/63/535954863.db2.gz WPBDAJAWCMYTJA-LXZKKBNFSA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[NH+](CC3CC3)CC2)cc1 ZINC000339555297 536007359 /nfs/dbraw/zinc/00/73/59/536007359.db2.gz QNSGMZLCCKIHKU-UHFFFAOYSA-N 2 0 330.476 1.985 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262349138 536017535 /nfs/dbraw/zinc/01/75/35/536017535.db2.gz UGUVZDBGQRMIKQ-UHFFFAOYSA-N 2 0 337.489 1.512 20 0 EDADRP CN(c1ccccc1)C1CC[NH+](CCC(=O)N2CC[NH2+]CC2)CC1 ZINC000261984747 536297134 /nfs/dbraw/zinc/29/71/34/536297134.db2.gz CIIMZONJMPZPJF-UHFFFAOYSA-N 2 0 330.476 1.409 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000079490598 536784085 /nfs/dbraw/zinc/78/40/85/536784085.db2.gz FTLMXABLNLPWDH-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[NH2+]C1(c3ccccc3)CCC1)C2=O ZINC000728706976 578550887 /nfs/dbraw/zinc/55/08/87/578550887.db2.gz KJWSVYJVAFGIDD-UHFFFAOYSA-N 2 0 342.443 1.629 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000729366141 578565677 /nfs/dbraw/zinc/56/56/77/578565677.db2.gz WSDDKNXESGYOHN-UHFFFAOYSA-N 2 0 325.497 1.870 20 0 EDADRP CN(C)c1ccc(CCC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000729434346 578575224 /nfs/dbraw/zinc/57/52/24/578575224.db2.gz BMPGMHNOVIYNJG-UHFFFAOYSA-N 2 0 334.508 1.637 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(-c2ccccn2)n1 ZINC000729436655 578575382 /nfs/dbraw/zinc/57/53/82/578575382.db2.gz XVPOWOTXXVRYDU-UHFFFAOYSA-N 2 0 347.488 1.771 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[NH+]1CCCC[C@H]1C ZINC000729496851 578577676 /nfs/dbraw/zinc/57/76/76/578577676.db2.gz KNVODTJRKNGQIF-WCXIOVBPSA-N 2 0 338.496 1.412 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000729618161 578584789 /nfs/dbraw/zinc/58/47/89/578584789.db2.gz HKISIHGUYPRNNN-IXDOHACOSA-N 2 0 336.480 1.119 20 0 EDADRP C[C@H](c1cccnc1)N1CCN(C(=O)CCN2CCOCC2)CC1 ZINC000734143442 578798806 /nfs/dbraw/zinc/79/88/06/578798806.db2.gz JPULLZNXKGHSOU-MRXNPFEDSA-N 2 0 332.448 1.009 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734275680 578804308 /nfs/dbraw/zinc/80/43/08/578804308.db2.gz AZJCVMGQTTWGEF-RDJZCZTQSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC[N@@H+]1C ZINC000745824511 579564449 /nfs/dbraw/zinc/56/44/49/579564449.db2.gz JNEOCOFLXZZTGE-PVAVHDDUSA-N 2 0 338.496 1.412 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cnn(C)c1 ZINC000750735170 579778954 /nfs/dbraw/zinc/77/89/54/579778954.db2.gz VHZXHXKWVBMHGX-XZVRFQMRSA-N 2 0 333.480 1.308 20 0 EDADRP CC(C)C[C@@H]1NC(=O)N(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755780202 579934857 /nfs/dbraw/zinc/93/48/57/579934857.db2.gz WTAPTALKRSQMJM-HOTGVXAUSA-N 2 0 336.480 1.574 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+]C2CCS(=O)CC2)c2ccccc2)CC1 ZINC000769132205 580229537 /nfs/dbraw/zinc/22/95/37/580229537.db2.gz GVCXFNOMIHHHOZ-FRIYVGAWSA-N 2 0 335.517 1.476 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)C1 ZINC000770524389 580263588 /nfs/dbraw/zinc/26/35/88/580263588.db2.gz VCSZUDLDDPEZKV-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1[C@@H](C)[N@H+](C)CCN1C(=O)Nc1ccccc1N1CC[NH+](C)CC1 ZINC000770717744 580269230 /nfs/dbraw/zinc/26/92/30/580269230.db2.gz YJYSFCFVSLQUAC-HZPDHXFCSA-N 2 0 345.491 1.995 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=S)NC2CC[NH+](C)CC2)cc1 ZINC000786086087 580660785 /nfs/dbraw/zinc/66/07/85/580660785.db2.gz OQDKBZNWQIASAY-UHFFFAOYSA-N 2 0 334.533 1.849 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]CC2CCC3(CC2)OCCO3)CC1 ZINC000795900053 580940684 /nfs/dbraw/zinc/94/06/84/580940684.db2.gz QWFXRAGFAMZESO-UHFFFAOYSA-N 2 0 325.497 1.537 20 0 EDADRP CSC1(CNC(=O)N2C3CCC2(C[NH3+])CC3)CC[NH+](C)CC1 ZINC000891905416 590681513 /nfs/dbraw/zinc/68/15/13/590681513.db2.gz HQDYJJLABSQWLV-UHFFFAOYSA-N 2 0 326.510 1.479 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(c2cc[nH+]cc2CO)CC1 ZINC000891951774 590703434 /nfs/dbraw/zinc/70/34/34/590703434.db2.gz CHWOEENVJGEDFL-UHFFFAOYSA-N 2 0 348.491 1.494 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000891956462 590706982 /nfs/dbraw/zinc/70/69/82/590706982.db2.gz QPNKGCMNLRGBNO-GFCCVEGCSA-N 2 0 337.493 1.401 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C1 ZINC000892053811 590775349 /nfs/dbraw/zinc/77/53/49/590775349.db2.gz AMEDVQGDQLEWLO-DOTOQJQBSA-N 2 0 334.464 1.232 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000892082072 590789716 /nfs/dbraw/zinc/78/97/16/590789716.db2.gz GUWZDODPTLBXLF-DOTOQJQBSA-N 2 0 332.448 1.493 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccnc(N2CCSCC2)c1 ZINC000892091212 590795100 /nfs/dbraw/zinc/79/51/00/590795100.db2.gz DEJNKLIHPDIUHQ-HIFRSBDPSA-N 2 0 349.504 1.432 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)NC[C@H]1CN(Cc2cccc(C)c2)CCO1 ZINC000892148327 590822363 /nfs/dbraw/zinc/82/23/63/590822363.db2.gz XRXUSTJBVKBASA-IRXDYDNUSA-N 2 0 334.464 1.232 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000890883829 590830791 /nfs/dbraw/zinc/83/07/91/590830791.db2.gz PHZXPCOHAYILJK-UHFFFAOYSA-N 2 0 347.507 1.493 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)NC[C@@H]3C[NH2+]CCCO3)C2)cc1 ZINC000892170617 590841107 /nfs/dbraw/zinc/84/11/07/590841107.db2.gz VCVBGOLOHBMHHF-MSOLQXFVSA-N 2 0 346.475 1.247 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)NCc3cccc4c3CC[NH2+]C4)C2)C1 ZINC000892330415 590955603 /nfs/dbraw/zinc/95/56/03/590955603.db2.gz NATPIRBMXKIZNY-LJQANCHMSA-N 2 0 328.460 1.570 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000892399964 591011406 /nfs/dbraw/zinc/01/14/06/591011406.db2.gz MDPUTFROMYFUOH-ZWKOTPCHSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000892433972 591026938 /nfs/dbraw/zinc/02/69/38/591026938.db2.gz JDJZPJTZAGLVMY-ZOFXXKQRSA-N 2 0 338.496 1.432 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCc1cc(N)cc[nH+]1)c1cccc(F)c1 ZINC000891321735 591045996 /nfs/dbraw/zinc/04/59/96/591045996.db2.gz AZYIDQXMGCJZDX-INIZCTEOSA-N 2 0 331.395 1.905 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NC2(C[NH3+])CCOCC2)CC1 ZINC000892501946 591051708 /nfs/dbraw/zinc/05/17/08/591051708.db2.gz SXCXHMYVYAUSFJ-UHFFFAOYSA-N 2 0 326.485 1.304 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891347033 591053345 /nfs/dbraw/zinc/05/33/45/591053345.db2.gz FQZHGODSYCMSPQ-ZWKOTPCHSA-N 2 0 328.460 1.581 20 0 EDADRP CCN(C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[C@H]1CC[NH2+]C1 ZINC000892529987 591060608 /nfs/dbraw/zinc/06/06/08/591060608.db2.gz HBJXEZFOOLZUGA-ROUUACIJSA-N 2 0 330.476 1.963 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000891446822 591074867 /nfs/dbraw/zinc/07/48/67/591074867.db2.gz RHFJKUKNCGBRFO-LZQZEXGQSA-N 2 0 342.487 1.969 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000892585307 591082252 /nfs/dbraw/zinc/08/22/52/591082252.db2.gz VBBCAVZTHATFOA-NXOAAHMSSA-N 2 0 343.475 1.832 20 0 EDADRP CC1(C)CN(CCNC(=O)N2CCCC[C@]3(CC[NH2+]C3)C2)CCO1 ZINC000891473761 591083345 /nfs/dbraw/zinc/08/33/45/591083345.db2.gz YQORIQWKRYNVLV-GOSISDBHSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000891518379 591104618 /nfs/dbraw/zinc/10/46/18/591104618.db2.gz PWWLOXBXHHEQIH-PBHICJAKSA-N 2 0 346.475 1.274 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000891544535 591118395 /nfs/dbraw/zinc/11/83/95/591118395.db2.gz WVJRSVNHHCZSML-SJLPKXTDSA-N 2 0 330.476 1.902 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(CC)[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000891565600 591127881 /nfs/dbraw/zinc/12/78/81/591127881.db2.gz QENCUZCIBIWRKS-ZACQAIPSSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)ccc1F ZINC000891565139 591128131 /nfs/dbraw/zinc/12/81/31/591128131.db2.gz LVQNMYLFXSHORT-IRXDYDNUSA-N 2 0 334.439 1.923 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000891569066 591130421 /nfs/dbraw/zinc/13/04/21/591130421.db2.gz OEUGSLRKPHQFTR-OLZOCXBDSA-N 2 0 334.455 1.897 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000891576090 591131970 /nfs/dbraw/zinc/13/19/70/591131970.db2.gz QVKGBRAJIYXNAJ-MXWWQKGMSA-N 2 0 336.480 1.153 20 0 EDADRP O=C(NCc1cccc2c1CC[NH2+]C2)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000891575900 591132452 /nfs/dbraw/zinc/13/24/52/591132452.db2.gz IPJVVXHEFKISSN-KRWDZBQOSA-N 2 0 328.460 1.616 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577872 591132884 /nfs/dbraw/zinc/13/28/84/591132884.db2.gz SVDRLIJRHAKLJR-RHSMWYFYSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000891605464 591146909 /nfs/dbraw/zinc/14/69/09/591146909.db2.gz FAGJJGKPEBYSKM-HZPDHXFCSA-N 2 0 337.512 1.068 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@H]2C1 ZINC000893988863 591161256 /nfs/dbraw/zinc/16/12/56/591161256.db2.gz CZRSTLQILUHNHG-AEFFLSMTSA-N 2 0 343.475 1.644 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000891662285 591174259 /nfs/dbraw/zinc/17/42/59/591174259.db2.gz XXJRUWNMIVJGCA-CJNGLKHVSA-N 2 0 328.460 1.757 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)CC(C)C ZINC000891751944 591210679 /nfs/dbraw/zinc/21/06/79/591210679.db2.gz BBMUTMPOMDMOCQ-INIZCTEOSA-N 2 0 342.528 1.499 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NCc1c(C)nc2ccccn21 ZINC000894161936 591212261 /nfs/dbraw/zinc/21/22/61/591212261.db2.gz MMDAVWZYGVOOCD-UHFFFAOYSA-N 2 0 347.463 1.800 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000891764081 591216225 /nfs/dbraw/zinc/21/62/25/591216225.db2.gz ACLUUUUUWCIYDJ-OAFZBRQQSA-N 2 0 334.508 1.890 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000894173060 591216710 /nfs/dbraw/zinc/21/67/10/591216710.db2.gz GKQGMPGPPHNZAV-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3c(C)ccnc3N)cn2)CC1 ZINC000894184321 591219617 /nfs/dbraw/zinc/21/96/17/591219617.db2.gz VYDMFCUMJYRJDQ-UHFFFAOYSA-N 2 0 340.475 1.799 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N(C)CCC[N@H+](C)CCN(C)C)CC1 ZINC000892931099 591227843 /nfs/dbraw/zinc/22/78/43/591227843.db2.gz FZSWCGDKISLJGB-UHFFFAOYSA-N 2 0 327.517 1.125 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([NH+]3CCN(C)CC3)CC2)CC1 ZINC000892934814 591229913 /nfs/dbraw/zinc/22/99/13/591229913.db2.gz KNCAAPAYEDHGBJ-UHFFFAOYSA-N 2 0 337.512 1.022 20 0 EDADRP Cc1ccnc(N)c1C[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000894210890 591231774 /nfs/dbraw/zinc/23/17/74/591231774.db2.gz KXTQCUKQJCFJGI-UHFFFAOYSA-N 2 0 340.475 1.669 20 0 EDADRP C[C@@H](CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000895653340 591244279 /nfs/dbraw/zinc/24/42/79/591244279.db2.gz GIXRWVDEBVGQNC-KXBFYZLASA-N 2 0 343.471 1.270 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000894255327 591250261 /nfs/dbraw/zinc/25/02/61/591250261.db2.gz WNHWXVRUXZZZQS-CQSZACIVSA-N 2 0 337.489 1.793 20 0 EDADRP COC(=O)[C@@H]1[C@H](C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)C1(F)F ZINC000894332735 591281463 /nfs/dbraw/zinc/28/14/63/591281463.db2.gz QNZZTPVEANNPCE-XQLPTFJDSA-N 2 0 346.418 1.398 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NCc2ccc(CC[NH+](C)C)cc2)C1 ZINC000894346174 591285414 /nfs/dbraw/zinc/28/54/14/591285414.db2.gz QYVAAQMIPYIHTP-INIZCTEOSA-N 2 0 332.492 1.932 20 0 EDADRP C[C@@H](C[S@@](C)=O)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894445181 591313424 /nfs/dbraw/zinc/31/34/24/591313424.db2.gz NXSRJKJHBUEMSK-SDWAUSNYSA-N 2 0 348.415 1.926 20 0 EDADRP CN(Cc1cnn(C)c1C1CC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459890 591318351 /nfs/dbraw/zinc/31/83/51/591318351.db2.gz RFNQTOQDOLFSEN-GOSISDBHSA-N 2 0 331.508 1.898 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC000894470228 591320968 /nfs/dbraw/zinc/32/09/68/591320968.db2.gz GGBIOTROOZEGGR-UHFFFAOYSA-N 2 0 332.448 1.366 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894482436 591321841 /nfs/dbraw/zinc/32/18/41/591321841.db2.gz FNMOHAXTEHKBDC-HNNXBMFYSA-N 2 0 340.512 1.469 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000896138731 591360020 /nfs/dbraw/zinc/36/00/20/591360020.db2.gz UNJMIFWJBUNJMX-CJNGLKHVSA-N 2 0 335.452 1.017 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897407806 591368367 /nfs/dbraw/zinc/36/83/67/591368367.db2.gz DSDDMYWPYDCOQJ-ATZDWAIDSA-N 2 0 343.471 1.344 20 0 EDADRP CN(CC[N@H+](C)Cc1ccc2oc(=O)oc2c1)C1CC[NH+](C)CC1 ZINC000894765541 591414486 /nfs/dbraw/zinc/41/44/86/591414486.db2.gz JLKYXSVKCZROFW-UHFFFAOYSA-N 2 0 333.432 1.844 20 0 EDADRP C[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896291973 591417120 /nfs/dbraw/zinc/41/71/20/591417120.db2.gz MVXRLOUHBHIWPK-MRXNPFEDSA-N 2 0 345.487 1.734 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)C[C@H]3CCC4(CCC4)O3)C2)CC1 ZINC000896324340 591418549 /nfs/dbraw/zinc/41/85/49/591418549.db2.gz ATCGBYCUTMLZSN-NVXWUHKLSA-N 2 0 335.492 1.763 20 0 EDADRP CSC1(CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC[NH+](C)CC1 ZINC000894950711 591497080 /nfs/dbraw/zinc/49/70/80/591497080.db2.gz AOJJOHRKAWFEPS-UHFFFAOYSA-N 2 0 342.553 1.845 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000897517542 591517503 /nfs/dbraw/zinc/51/75/03/591517503.db2.gz AZQVVCVPVHBFTE-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000896610590 591547448 /nfs/dbraw/zinc/54/74/48/591547448.db2.gz WWMMTGLWALOSSS-RBSFLKMASA-N 2 0 326.510 1.350 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000896781086 591610631 /nfs/dbraw/zinc/61/06/31/591610631.db2.gz MPUUWUZOIUYPNT-KRWDZBQOSA-N 2 0 337.508 1.963 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCO)[C@@H]1c1ccccc1 ZINC000897881152 591704698 /nfs/dbraw/zinc/70/46/98/591704698.db2.gz PQIXZFYFVGBQGA-QYZOEREBSA-N 2 0 345.487 1.642 20 0 EDADRP C[C@@H](CC[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1)[NH+](C)C ZINC000895429248 591753543 /nfs/dbraw/zinc/75/35/43/591753543.db2.gz LTTANAYZQCDXCO-HNNXBMFYSA-N 2 0 342.528 1.905 20 0 EDADRP COc1ccc(-c2cc(C[C@@H](C[NH3+])CO)ccc2OC)c(C[NH3+])c1 ZINC000899323253 591775073 /nfs/dbraw/zinc/77/50/73/591775073.db2.gz PXYDSQCVOIDMRT-AWEZNQCLSA-N 2 0 330.428 1.939 20 0 EDADRP Cn1cc(NC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000899444454 591805939 /nfs/dbraw/zinc/80/59/39/591805939.db2.gz NTTZGCQLLVPXHI-UHFFFAOYSA-N 2 0 326.514 1.322 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000899558262 591849451 /nfs/dbraw/zinc/84/94/51/591849451.db2.gz HTSUZSOFJYKUIP-OAHLLOKOSA-N 2 0 325.522 1.901 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000900159424 591920638 /nfs/dbraw/zinc/92/06/38/591920638.db2.gz GGBJPNZLCHTJNK-HXUWFJFHSA-N 2 0 345.487 1.398 20 0 EDADRP O=C(N[C@H]1CC[N@@H+]2CCCC[C@@H]12)C1CCC([NH+]2CCOCC2)CC1 ZINC000900214138 591945216 /nfs/dbraw/zinc/94/52/16/591945216.db2.gz AQJCVPFKTWOCGD-FOIPXRHGSA-N 2 0 335.492 1.620 20 0 EDADRP CC[NH+](CC)CCOc1cccc(N2C(=O)N[C@@H](C[NH+](C)C)C2=O)c1 ZINC000900281976 591970038 /nfs/dbraw/zinc/97/00/38/591970038.db2.gz LHKRHWFUCUJNKT-INIZCTEOSA-N 2 0 348.447 1.394 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899909641 591977212 /nfs/dbraw/zinc/97/72/12/591977212.db2.gz FZCUZFYQHJAYAC-KRWDZBQOSA-N 2 0 347.459 1.555 20 0 EDADRP [NH3+]CCCC[C@@H]([NH2+]CCN1CC[C@H](O)C1)c1ccc(F)cc1F ZINC000902399586 591990714 /nfs/dbraw/zinc/99/07/14/591990714.db2.gz UTGWIGAIKDHVEY-WMLDXEAASA-N 2 0 327.419 1.791 20 0 EDADRP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)C12CCC2 ZINC000902514829 592008823 /nfs/dbraw/zinc/00/88/23/592008823.db2.gz QXPPAPLVJACMNN-HOTGVXAUSA-N 2 0 335.473 1.950 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCOC2CCSCC2)CC[NH2+]CC1 ZINC000902516771 592009458 /nfs/dbraw/zinc/00/94/58/592009458.db2.gz GKEHIYWAFVTANA-AWEZNQCLSA-N 2 0 344.521 1.810 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccco1 ZINC000900406659 592009943 /nfs/dbraw/zinc/00/99/43/592009943.db2.gz TXRHLUXPRNPVGA-YJBOKZPZSA-N 2 0 337.464 1.626 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900439840 592019163 /nfs/dbraw/zinc/01/91/63/592019163.db2.gz SJOZRMBIWDXGCK-RBUKOAKNSA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@@H](O)[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455018 592022517 /nfs/dbraw/zinc/02/25/17/592022517.db2.gz LYYJQSMGEXRODF-DOTOQJQBSA-N 2 0 334.464 1.117 20 0 EDADRP [NH2+]=C(NOCc1cnn(-c2ccccc2)n1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902809865 592068560 /nfs/dbraw/zinc/06/85/60/592068560.db2.gz KWWJMTLDLULQJT-JKSUJKDBSA-N 2 0 342.403 1.129 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C)C1CC[NH+](CCn2cccn2)CC1 ZINC000900642472 592070759 /nfs/dbraw/zinc/07/07/59/592070759.db2.gz GQKABKRWPPQMSB-KRWDZBQOSA-N 2 0 347.507 1.679 20 0 EDADRP CNc1nc(C)ccc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000900681899 592093089 /nfs/dbraw/zinc/09/30/89/592093089.db2.gz BELVJPJYZYYWCU-UHFFFAOYSA-N 2 0 335.496 1.777 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000903116555 592123262 /nfs/dbraw/zinc/12/32/62/592123262.db2.gz RSTIUIFEKOLFQW-ZRNYENFQSA-N 3 0 335.536 1.930 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@@H]1C(C)C ZINC000903116961 592123458 /nfs/dbraw/zinc/12/34/58/592123458.db2.gz BSSFDYDQCJXESJ-AKHDSKFASA-N 2 0 337.508 1.457 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+][C@@H]3CN(C4CC4)C[C@@H]3C)C2)[C@H]1C(C)C ZINC000903122009 592124041 /nfs/dbraw/zinc/12/40/41/592124041.db2.gz WFUVWARVVVCJJD-VHLJGOKISA-N 2 0 335.536 1.929 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CC(=O)N(C)C2)[C@H](C)C1 ZINC000903219596 592141508 /nfs/dbraw/zinc/14/15/08/592141508.db2.gz QMHQBKLWYMFPHV-IKGGRYGDSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H](NC(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000900800708 592142643 /nfs/dbraw/zinc/14/26/43/592142643.db2.gz APRTTYIEJJOWOZ-RYQLBKOJSA-N 2 0 332.492 1.430 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000903437150 592170047 /nfs/dbraw/zinc/17/00/47/592170047.db2.gz GDMANMQNZHDJLR-YQVWRLOYSA-N 2 0 342.487 1.537 20 0 EDADRP [NH3+][C@@H]1CC[C@H](CN2CCn3c(Cc4ccccc4F)nnc3C2)C1 ZINC000903461878 592171569 /nfs/dbraw/zinc/17/15/69/592171569.db2.gz ZLRLXFNVTIGPLP-DZGCQCFKSA-N 2 0 329.423 1.951 20 0 EDADRP COC[C@H](C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1)C(C)C ZINC000903460102 592171807 /nfs/dbraw/zinc/17/18/07/592171807.db2.gz XCRWXJHKFQEGDA-XIRDDKMYSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@H]1CC[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1C[NH3+] ZINC000903459657 592171814 /nfs/dbraw/zinc/17/18/14/592171814.db2.gz WDLLCAFLVOCNJC-LSDHHAIUSA-N 2 0 345.443 1.216 20 0 EDADRP CON1CC[C@@H]([NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1=O ZINC000903464177 592172130 /nfs/dbraw/zinc/17/21/30/592172130.db2.gz CNDGSYDFULWTLQ-QGZVFWFLSA-N 2 0 347.463 1.218 20 0 EDADRP CC1(C)[C@H]([NH2+]CCOCCN2C(=O)c3ccccc3C2=O)C[C@@H]1[NH3+] ZINC000903482441 592177037 /nfs/dbraw/zinc/17/70/37/592177037.db2.gz HWQXJFIULDXHIF-LSDHHAIUSA-N 2 0 331.416 1.015 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)C2 ZINC000903495076 592186803 /nfs/dbraw/zinc/18/68/03/592186803.db2.gz UCBNYNYUHOBWML-HXNLIRTISA-N 2 0 336.354 1.309 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)CCC3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903524924 592197806 /nfs/dbraw/zinc/19/78/06/592197806.db2.gz FGOSDCSZJHJSPP-QUCCMNQESA-N 2 0 327.472 1.912 20 0 EDADRP COc1c(C)cnc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c1C ZINC000903525104 592197970 /nfs/dbraw/zinc/19/79/70/592197970.db2.gz OQMUWVSNQPNYJM-QAPCUYQASA-N 2 0 346.475 1.443 20 0 EDADRP Cc1cc(C)c(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)c(C)n1 ZINC000903526757 592198684 /nfs/dbraw/zinc/19/86/84/592198684.db2.gz LWIROJNCTIFEBY-MJGOQNOKSA-N 2 0 330.476 1.743 20 0 EDADRP Brc1ccc2c(c1)[C@H]([NH2+]CCN1CC[NH2+]CC1)CCO2 ZINC000903565019 592212258 /nfs/dbraw/zinc/21/22/58/592212258.db2.gz CJKKRWJMTUAGGK-CQSZACIVSA-N 2 0 340.265 1.768 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1CCNS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000903548531 592213781 /nfs/dbraw/zinc/21/37/81/592213781.db2.gz ADWQRSDIVPXPCR-UKRRQHHQSA-N 2 0 325.478 1.272 20 0 EDADRP CC1(C)CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@H]1[NH3+] ZINC000903557599 592218550 /nfs/dbraw/zinc/21/85/50/592218550.db2.gz DHKYUCFXQAODMV-GOSISDBHSA-N 2 0 344.503 1.568 20 0 EDADRP C[NH+](C)C1CCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906646973 592232097 /nfs/dbraw/zinc/23/20/97/592232097.db2.gz YPOADTAJVYZYFK-UHFFFAOYSA-N 2 0 332.448 1.372 20 0 EDADRP CS(=O)(=O)N(CC(F)(F)F)C1CC[NH+](C[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000904341887 592234420 /nfs/dbraw/zinc/23/44/20/592234420.db2.gz YTQUDGXLRKNMGZ-PHIMTYICSA-N 2 0 343.415 1.012 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906650427 592234965 /nfs/dbraw/zinc/23/49/65/592234965.db2.gz HSGPBXOTWPZJOJ-UHFFFAOYSA-N 2 0 346.475 1.619 20 0 EDADRP C[C@]1(C[NH2+][C@@H]2CC(=O)N(CCOc3ccccc3)C2)CCC[NH2+]C1 ZINC000904365132 592241952 /nfs/dbraw/zinc/24/19/52/592241952.db2.gz WWWSCIBXMYDJBE-APWZRJJASA-N 2 0 331.460 1.646 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(O)c1)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901126796 592243272 /nfs/dbraw/zinc/24/32/72/592243272.db2.gz KOLAUFNPBPBPFZ-LJQANCHMSA-N 2 0 349.475 1.129 20 0 EDADRP COC(=O)CCC1([NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCCCC1 ZINC000904434884 592255966 /nfs/dbraw/zinc/25/59/66/592255966.db2.gz ZZWDDAOONGKTLX-OAHLLOKOSA-N 2 0 349.479 1.948 20 0 EDADRP COC(=O)CCC1([NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)CCCCC1 ZINC000904433437 592256028 /nfs/dbraw/zinc/25/60/28/592256028.db2.gz NOJCQZVDHLOEIF-HNNXBMFYSA-N 2 0 339.480 1.429 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CC[C@H](Cc3nccs3)C2)cnn1C ZINC000904469900 592267617 /nfs/dbraw/zinc/26/76/17/592267617.db2.gz QYPOPDYZPVXWLI-CABCVRRESA-N 2 0 333.505 1.867 20 0 EDADRP CC(C)[C@H](C)NC(=O)C1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727080 592285806 /nfs/dbraw/zinc/28/58/06/592285806.db2.gz PVTYLFPZULPNAZ-KVSKMBFKSA-N 2 0 337.508 1.628 20 0 EDADRP O[C@H](CN1CC[NH+](C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1)c1ccccc1 ZINC000903739636 592301366 /nfs/dbraw/zinc/30/13/66/592301366.db2.gz NFEAXEOERJLDHX-VAMGGRTRSA-N 2 0 345.487 1.106 20 0 EDADRP c1cc(-c2nc([C@H]3C[N@@H+]4CCC[C@@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904639597 592301737 /nfs/dbraw/zinc/30/17/37/592301737.db2.gz VAYGKFJTHGRMSF-IUODEOHRSA-N 2 0 327.388 1.313 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@@H]2CCCCC[NH2+]2)ccc1C[NH+](C)C ZINC000906737495 592302297 /nfs/dbraw/zinc/30/22/97/592302297.db2.gz CWWLJHJTAATHCA-KRWDZBQOSA-N 2 0 346.475 1.644 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903742566 592304901 /nfs/dbraw/zinc/30/49/01/592304901.db2.gz XKUQDACPBHXHIJ-AQNXPRMDSA-N 2 0 329.488 1.961 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000904662224 592308324 /nfs/dbraw/zinc/30/83/24/592308324.db2.gz YJKOXEGZZCEXLW-AWEZNQCLSA-N 2 0 332.448 1.768 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)Nc2ccccc2C[NH3+])CC1 ZINC000904663776 592308638 /nfs/dbraw/zinc/30/86/38/592308638.db2.gz BVEBJSRHRKKMNZ-UHFFFAOYSA-N 2 0 333.480 1.685 20 0 EDADRP C[NH+](C)CCCC1CCN(C(=O)c2ccnn2CC[NH+](C)C)CC1 ZINC000901277293 592310191 /nfs/dbraw/zinc/31/01/91/592310191.db2.gz VTUGJVNENBHRGF-UHFFFAOYSA-N 2 0 335.496 1.639 20 0 EDADRP C(O[C@H]1CC[NH2+]C1)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903775091 592318510 /nfs/dbraw/zinc/31/85/10/592318510.db2.gz HPHYSZCNPUYXJX-ROUUACIJSA-N 3 0 337.508 1.236 20 0 EDADRP O=S1(=O)CCCN1CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000903789483 592322667 /nfs/dbraw/zinc/32/26/67/592322667.db2.gz YDNZARZMNTYKMK-OAHLLOKOSA-N 2 0 329.510 1.124 20 0 EDADRP [NH3+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccc(S(=O)(=O)NC3CC3)cc1)C2 ZINC000903842454 592338515 /nfs/dbraw/zinc/33/85/15/592338515.db2.gz OXUBBCUXRQVUNW-LZWOXQAQSA-N 2 0 335.473 1.439 20 0 EDADRP C[C@@H](C(=O)N1CCCC1)N1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903898545 592369066 /nfs/dbraw/zinc/36/90/66/592369066.db2.gz PBHJPGACDIOGTC-OOKSDGMUSA-N 2 0 334.508 1.146 20 0 EDADRP [NH3+][C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000903905577 592372820 /nfs/dbraw/zinc/37/28/20/592372820.db2.gz JHOGYDSIDPLWFR-BPQIPLTHSA-N 2 0 326.448 1.129 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C[C@H]1C1CCCC1 ZINC000903930488 592382888 /nfs/dbraw/zinc/38/28/88/592382888.db2.gz YTABMOJHGKUMRE-RYQLBKOJSA-N 2 0 333.480 1.576 20 0 EDADRP O=C(N[C@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000903937582 592387362 /nfs/dbraw/zinc/38/73/62/592387362.db2.gz NQVUGPNUVCEQFJ-NJAJRWJTSA-N 2 0 349.519 1.649 20 0 EDADRP O=S(=O)(C1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)N1CCCC1 ZINC000903917446 592389039 /nfs/dbraw/zinc/38/90/39/592389039.db2.gz LXXCHZXUGBIOSG-MQVJKMGUSA-N 2 0 341.521 1.407 20 0 EDADRP CC(C)([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1ccc(F)cc1F ZINC000903959783 592391054 /nfs/dbraw/zinc/39/10/54/592391054.db2.gz OGGFIHLVKRXQJV-GFCCVEGCSA-N 2 0 325.403 1.987 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000903976862 592398503 /nfs/dbraw/zinc/39/85/03/592398503.db2.gz FLULZZAQPQVJGY-QKLQHJQFSA-N 2 0 344.455 1.766 20 0 EDADRP COC(=O)c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)oc1C ZINC000903980073 592400244 /nfs/dbraw/zinc/40/02/44/592400244.db2.gz GADZWPOFDVQPSC-IYBDPMFKSA-N 2 0 347.459 1.775 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)C[C@@H](O)c2ccccc2)CC1 ZINC000905110763 592410955 /nfs/dbraw/zinc/41/09/55/592410955.db2.gz OZXXVXMDACAKCP-MISYRCLQSA-N 2 0 349.519 1.334 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905110244 592411111 /nfs/dbraw/zinc/41/11/11/592411111.db2.gz LHLGAQBWOUDKNE-QGZVFWFLSA-N 2 0 327.513 1.050 20 0 EDADRP C[C@H](CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1)[N@H+](C)Cc1ccccc1 ZINC000905147777 592438320 /nfs/dbraw/zinc/43/83/20/592438320.db2.gz RRBCXPSUNSLNAT-QRQLOZEOSA-N 2 0 336.476 1.389 20 0 EDADRP Cn1ccnc1CNc1ccc(C(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000908350053 592456480 /nfs/dbraw/zinc/45/64/80/592456480.db2.gz UXSDONLFPWMMPF-RDJZCZTQSA-N 2 0 339.443 1.808 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)N2CCC[C@@]23CC[NH2+]C3)c1 ZINC000904295394 592470811 /nfs/dbraw/zinc/47/08/11/592470811.db2.gz OQTKQJMJWPWBSH-SFHVURJKSA-N 2 0 332.448 1.987 20 0 EDADRP Cc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000905257207 592478994 /nfs/dbraw/zinc/47/89/94/592478994.db2.gz PUVGMZVRKRHWBK-IPQPSQTFSA-N 2 0 345.487 1.702 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCNC[C@@H]1c1cccc(F)c1 ZINC000905344620 592500528 /nfs/dbraw/zinc/50/05/28/592500528.db2.gz PXKCLSUJFYRALV-MRXNPFEDSA-N 2 0 341.452 1.101 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000905346417 592501231 /nfs/dbraw/zinc/50/12/31/592501231.db2.gz SSWXIJGFGJTALJ-INIZCTEOSA-N 2 0 329.510 1.027 20 0 EDADRP CCN([C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000905349823 592502475 /nfs/dbraw/zinc/50/24/75/592502475.db2.gz PURQXVFAKCOYPI-MRXNPFEDSA-N 2 0 339.505 1.901 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333289 592508941 /nfs/dbraw/zinc/50/89/41/592508941.db2.gz AOYYFFPRZBZVIV-GASCZTMLSA-N 2 0 345.553 1.662 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905334302 592508950 /nfs/dbraw/zinc/50/89/50/592508950.db2.gz QIUOUIOYGTZIRO-HUUCEWRRSA-N 2 0 331.526 1.273 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNS(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000905333296 592509036 /nfs/dbraw/zinc/50/90/36/592509036.db2.gz AOYYFFPRZBZVIV-HUUCEWRRSA-N 2 0 345.553 1.662 20 0 EDADRP C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CCC([NH+]3CCOCC3)CC1)C2 ZINC000908537621 592528886 /nfs/dbraw/zinc/52/88/86/592528886.db2.gz ZKOKXTGBSKIWLJ-AFMYVXGZSA-N 2 0 349.519 1.822 20 0 EDADRP C[C@@H]1[C@H](c2nnc(N3C[C@@H]4C[NH+](C)C[C@]4(C)C3)n2C)CCC[N@@H+]1C ZINC000908567662 592542187 /nfs/dbraw/zinc/54/21/87/592542187.db2.gz TWEFLVRHWVZHQN-BASYENTBSA-N 2 0 332.496 1.401 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)c1cccc(F)c1)C2 ZINC000905501869 592545915 /nfs/dbraw/zinc/54/59/15/592545915.db2.gz HSACCUZRVJSCSJ-ZSXDVEMLSA-N 2 0 336.451 1.928 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1CC[C@H](C[NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000905624465 592589491 /nfs/dbraw/zinc/58/94/91/592589491.db2.gz NVZRHIMUFAUVMD-ARFHVFGLSA-N 2 0 341.496 1.726 20 0 EDADRP CC(C)COc1cncc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000905702373 592615338 /nfs/dbraw/zinc/61/53/38/592615338.db2.gz FPUZWVRUQXGXBZ-CALCHBBNSA-N 2 0 345.491 1.916 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905931278 592687279 /nfs/dbraw/zinc/68/72/79/592687279.db2.gz KSCNGJDBZQBGRC-NVXWUHKLSA-N 2 0 328.497 1.067 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218836 592760301 /nfs/dbraw/zinc/76/03/01/592760301.db2.gz OEFLGSUESWOKTK-CVEARBPZSA-N 2 0 331.464 1.047 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000907782831 592793221 /nfs/dbraw/zinc/79/32/21/592793221.db2.gz MEAITROVNVGZCR-UHFFFAOYSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382802 592814155 /nfs/dbraw/zinc/81/41/55/592814155.db2.gz UFSRTBCUPBWZID-LPHOPBHVSA-N 2 0 344.503 1.432 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccccc1C[NH3+])[N@@H+]1CCC[C@H](C)C1 ZINC000906645014 592865804 /nfs/dbraw/zinc/86/58/04/592865804.db2.gz IJJVGQHBXXRIIX-UONOGXRCSA-N 2 0 332.448 1.320 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000910933218 592902027 /nfs/dbraw/zinc/90/20/27/592902027.db2.gz IIHDZUNAGUJJOZ-CQSZACIVSA-N 2 0 340.512 1.022 20 0 EDADRP [NH3+][C@@H](CC(=O)NC[C@H]1CCCC[NH2+]1)Cc1cc(F)c(F)cc1F ZINC000911713956 592986330 /nfs/dbraw/zinc/98/63/30/592986330.db2.gz MYGZARDJJFWIFB-VXGBXAGGSA-N 2 0 329.366 1.622 20 0 EDADRP C[NH2+]C1CCN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000911787821 593008659 /nfs/dbraw/zinc/00/86/59/593008659.db2.gz VUPKUYYQIRWFLX-RMKNXTFCSA-N 2 0 331.460 1.851 20 0 EDADRP CCC(CC)(C[NH3+])NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911799400 593012333 /nfs/dbraw/zinc/01/23/33/593012333.db2.gz HIZAECCJYCCJMK-LLVKDONJSA-N 2 0 331.382 1.998 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000911804093 593013473 /nfs/dbraw/zinc/01/34/73/593013473.db2.gz ZQUMDCFGUUCCIP-LFIXQJEJSA-N 2 0 331.460 1.884 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H]2CC[NH2+][C@@H]([C@H]3CCCO3)C2)cc1 ZINC000911855378 593027572 /nfs/dbraw/zinc/02/75/72/593027572.db2.gz JELRQGDJUNHIMB-OKDNKWQNSA-N 2 0 331.460 1.870 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2NS(C)(=O)=O)[C@H](C)C1 ZINC000809702777 593355912 /nfs/dbraw/zinc/35/59/12/593355912.db2.gz YHKRONSNPRVOFF-FXUDXRNXSA-N 2 0 331.526 1.414 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)N2CC[N@H+](CCO)C(C)(C)C2)CC1 ZINC000806480344 593449030 /nfs/dbraw/zinc/44/90/30/593449030.db2.gz IXDWSHQGIBHFFO-UHFFFAOYSA-N 2 0 340.512 1.347 20 0 EDADRP O=C1N(CN2CC[C@H](C[NH+]3CCCC3)C2)[C@H]([C@@H]2CCCO2)C12CCC2 ZINC000811749037 593478388 /nfs/dbraw/zinc/47/83/88/593478388.db2.gz QSVIQUSNXAPULG-FGTMMUONSA-N 2 0 347.503 1.922 20 0 EDADRP C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000813820421 593556435 /nfs/dbraw/zinc/55/64/35/593556435.db2.gz FUTFWZFBTVLCSQ-YJBOKZPZSA-N 2 0 343.475 1.606 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](O)c2cccc(C)c2)CC[NH2+]CC1 ZINC000817910640 593647862 /nfs/dbraw/zinc/64/78/62/593647862.db2.gz XDSDIVBQJSBRSH-DOTOQJQBSA-N 2 0 334.460 1.939 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H](O)c1ccccc1Br ZINC000817934837 593650253 /nfs/dbraw/zinc/65/02/53/593650253.db2.gz JTUSZGYNQXOFRI-SMDDNHRTSA-N 2 0 331.254 1.826 20 0 EDADRP [NH3+]CC1(CC(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000818539295 593703873 /nfs/dbraw/zinc/70/38/73/593703873.db2.gz GJZDKTGZILDLMO-OAHLLOKOSA-N 2 0 331.416 1.663 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3ccccc3)ccn2)CC1 ZINC000818960790 593730521 /nfs/dbraw/zinc/73/05/21/593730521.db2.gz JOBKSYUUYNUWBU-SFHVURJKSA-N 2 0 326.444 1.657 20 0 EDADRP Cc1cc(C)cc([C@@H](O)C[NH2+]CCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000818997522 593732931 /nfs/dbraw/zinc/73/29/31/593732931.db2.gz CWCFOMOYOXVMTI-MOPGFXCFSA-N 2 0 347.503 1.869 20 0 EDADRP Cc1cc(F)ccc1[C@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000819003811 593733483 /nfs/dbraw/zinc/73/34/83/593733483.db2.gz HIXYZEXAUZOUFR-WMLDXEAASA-N 2 0 337.439 1.345 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000819175136 593742730 /nfs/dbraw/zinc/74/27/30/593742730.db2.gz VABJNFSGAIXLKM-FGTMMUONSA-N 2 0 340.414 1.966 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)c2cccc(Cl)c2)CC1(C)C ZINC000819288058 593748707 /nfs/dbraw/zinc/74/87/07/593748707.db2.gz UHQZCOLUKKFTJH-MRXNPFEDSA-N 2 0 325.884 1.989 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453512 594004896 /nfs/dbraw/zinc/00/48/96/594004896.db2.gz PSSFPKQRXDKKSJ-YOEHRIQHSA-N 2 0 329.460 1.162 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1 ZINC000824414324 594006329 /nfs/dbraw/zinc/00/63/29/594006329.db2.gz ZJOQGMWBNDIQDJ-KGLIPLIRSA-N 2 0 329.452 1.153 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000824942560 594101687 /nfs/dbraw/zinc/10/16/87/594101687.db2.gz XAHPVYAWRSKMSB-RTBURBONSA-N 2 0 345.487 1.742 20 0 EDADRP CC(C)[C@@H]1C[C@@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000827892079 594298814 /nfs/dbraw/zinc/29/88/14/594298814.db2.gz GNVASGUKXDYGPF-MLHJIOFPSA-N 2 0 339.524 1.635 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C3(C[NH+](C)C)CC3)C2)c1 ZINC000826550257 594522758 /nfs/dbraw/zinc/52/27/58/594522758.db2.gz FACJBJCROIYDHX-GOSISDBHSA-N 2 0 345.487 1.654 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C)[N@@H+](CCOC)[C@@H](C)C1 ZINC000826685023 594554856 /nfs/dbraw/zinc/55/48/56/594554856.db2.gz DTWLRFPCCJAKMV-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])cc1 ZINC000831177740 594575700 /nfs/dbraw/zinc/57/57/00/594575700.db2.gz BEHDMBHNJMJOON-LJQANCHMSA-N 2 0 338.455 1.956 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000826999994 594620379 /nfs/dbraw/zinc/62/03/79/594620379.db2.gz FXUYAEYHCVEJHG-MRXNPFEDSA-N 2 0 327.388 1.602 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)[C@@H]1COCC12OCCO2)C1CC[NH+](C)CC1 ZINC000840797784 594816953 /nfs/dbraw/zinc/81/69/53/594816953.db2.gz AQWGBWMDFYINLX-HOCLYGCPSA-N 2 0 326.481 1.722 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCO[C@H](C[NH3+])C3)cc2)CC1 ZINC000841018635 594840447 /nfs/dbraw/zinc/84/04/47/594840447.db2.gz YZEBFHVXAJFRQB-QGZVFWFLSA-N 2 0 347.463 1.020 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]CC2CCN(S(=O)(=O)C(F)F)CC2)CC[NH2+]1 ZINC000841098626 594850964 /nfs/dbraw/zinc/85/09/64/594850964.db2.gz YQNYYQRIIVLTKD-AAEUAGOBSA-N 2 0 339.452 1.229 20 0 EDADRP C[NH+](C)CCNC(=O)Nc1ccc(C(=O)OC[C@H]2CCC[NH2+]2)cc1 ZINC000841270834 594879037 /nfs/dbraw/zinc/87/90/37/594879037.db2.gz CMDUMDXXBTXBNF-OAHLLOKOSA-N 2 0 334.420 1.279 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(C)C2CCC([NH3+])CC2)C[C@H](C)O1 ZINC000841674407 594934068 /nfs/dbraw/zinc/93/40/68/594934068.db2.gz IOGVWGPSFQPYJO-FXQLRMTLSA-N 2 0 326.485 1.397 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841791017 594953442 /nfs/dbraw/zinc/95/34/42/594953442.db2.gz LRNQGFNDGAXGQU-DLBZAZTESA-N 2 0 338.496 1.461 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000841791418 594953900 /nfs/dbraw/zinc/95/39/00/594953900.db2.gz WQGVIRPIEDYVNI-LZLYRXPVSA-N 2 0 344.459 1.036 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C(=O)OC[C@H]3CCC[NH2+]3)c2)C1 ZINC000841845951 594964038 /nfs/dbraw/zinc/96/40/38/594964038.db2.gz CJVPAFHYEDKSSB-KBRIMQKVSA-N 2 0 345.443 1.922 20 0 EDADRP [NH3+][C@@H](CC(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)C1CC1 ZINC000841847902 594964687 /nfs/dbraw/zinc/96/46/87/594964687.db2.gz YTJKFWXCLUXZLS-INIZCTEOSA-N 2 0 331.416 1.661 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841932519 594984632 /nfs/dbraw/zinc/98/46/32/594984632.db2.gz FADOMCBNXSKMEG-QAPCUYQASA-N 2 0 330.476 1.956 20 0 EDADRP [NH3+]C[C@@H](C(=O)Nc1cnn(C2CC[NH2+]CC2)c1)c1ccc(F)cc1 ZINC000843457947 595117679 /nfs/dbraw/zinc/11/76/79/595117679.db2.gz XMEYMDNPNCEZIS-MRXNPFEDSA-N 2 0 331.395 1.628 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000844169211 595289860 /nfs/dbraw/zinc/28/98/60/595289860.db2.gz RTIHIXSZGLJJHL-LJQANCHMSA-N 2 0 345.487 1.798 20 0 EDADRP C[C@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)C1CC[NH2+]CC1 ZINC000844170075 595290212 /nfs/dbraw/zinc/29/02/12/595290212.db2.gz GOTAWHPNZWSLAK-CRAIPNDOSA-N 2 0 337.508 1.772 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000844199349 595300686 /nfs/dbraw/zinc/30/06/86/595300686.db2.gz YTUZEHYALBECRR-UHFFFAOYSA-N 2 0 336.524 1.585 20 0 EDADRP CON1CCN(Cc2cccc(CN3CCN(OC)CC3)c2)CC1 ZINC000846975578 595345061 /nfs/dbraw/zinc/34/50/61/595345061.db2.gz GYYSEYMURSOURA-UHFFFAOYSA-N 2 0 334.464 1.045 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901478 595410435 /nfs/dbraw/zinc/41/04/35/595410435.db2.gz FSGDSGRDHJAFEJ-KZNAEPCWSA-N 3 0 341.459 1.986 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc(C[C@@H]3CCC[C@H]3[NH3+])n2)ccn1 ZINC000844912480 595412547 /nfs/dbraw/zinc/41/25/47/595412547.db2.gz HPHPQKKOAJJPBQ-GXTWGEPZSA-N 2 0 331.420 1.742 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C[C@@H]1C ZINC000847411401 595413957 /nfs/dbraw/zinc/41/39/57/595413957.db2.gz CDINCGDKOUARRQ-GEEKYZPCSA-N 2 0 326.485 1.077 20 0 EDADRP COC[C@@H](CNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1)OC ZINC000849079001 595479016 /nfs/dbraw/zinc/47/90/16/595479016.db2.gz KLBCUMSKEAZAJV-QGZVFWFLSA-N 2 0 334.464 1.426 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000849088363 595479692 /nfs/dbraw/zinc/47/96/92/595479692.db2.gz GTMVFIOMPNXKGQ-LLVKDONJSA-N 2 0 344.506 1.250 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@H]2C(=O)NCCC[NH+]2CCCCC2)cn1 ZINC000849486800 595547692 /nfs/dbraw/zinc/54/76/92/595547692.db2.gz JAKVYKLJGBDUTC-QZTJIDSGSA-N 2 0 347.507 1.448 20 0 EDADRP CC(C)[NH+](CCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)C(C)C ZINC000849485445 595548247 /nfs/dbraw/zinc/54/82/47/595548247.db2.gz WVMYIKRJLGOYFC-ROUUACIJSA-N 2 0 349.523 1.690 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849517011 595557252 /nfs/dbraw/zinc/55/72/52/595557252.db2.gz MHTLKMLTELGQTP-BHYGNILZSA-N 2 0 335.496 1.302 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)N[C@H](C)CC[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849541268 595560553 /nfs/dbraw/zinc/56/05/53/595560553.db2.gz MOKMLDZACWLBKN-NXHRZFHOSA-N 2 0 349.523 1.690 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC2(C)CC[NH+](C)CC2)cn1 ZINC000849572598 595574823 /nfs/dbraw/zinc/57/48/23/595574823.db2.gz CFKOLTQIOKDGDR-IRXDYDNUSA-N 2 0 347.507 1.304 20 0 EDADRP CC1=CC[NH+](CCNC(=O)[C@@H]2CC[N@@H+](C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849579750 595580777 /nfs/dbraw/zinc/58/07/77/595580777.db2.gz RMNYDRVTDVPFFO-QZTJIDSGSA-N 2 0 345.491 1.224 20 0 EDADRP C[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852872514 595591332 /nfs/dbraw/zinc/59/13/32/595591332.db2.gz OUPZPJGRHSIILU-GDBMZVCRSA-N 2 0 330.432 1.213 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849614564 595597312 /nfs/dbraw/zinc/59/73/12/595597312.db2.gz ZSUQGMHMLPAWDE-HYVNUMGLSA-N 2 0 333.480 1.056 20 0 EDADRP C[N@H+](CCCO)C1CCN(C[C@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549522 595598081 /nfs/dbraw/zinc/59/80/81/595598081.db2.gz CFZDONSVDGPFRE-KRWDZBQOSA-N 2 0 328.403 1.777 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000852887125 595599587 /nfs/dbraw/zinc/59/95/87/595599587.db2.gz GCGXSLYLSHMNPT-LJQANCHMSA-N 2 0 343.471 1.704 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](C)[NH2+]C2CC2)cc1F ZINC000852906643 595609222 /nfs/dbraw/zinc/60/92/22/595609222.db2.gz MRTZZEMYYUCQMX-PJODQICGSA-N 2 0 335.423 1.537 20 0 EDADRP C[N@@H+]1CCN(Cc2ccccc2)[C@@H](CNC(=O)C=C2CC[NH2+]CC2)C1 ZINC000852918718 595614986 /nfs/dbraw/zinc/61/49/86/595614986.db2.gz FWNMWBUDOHSOTJ-IBGZPJMESA-N 2 0 342.487 1.229 20 0 EDADRP C[C@@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[NH+]1CCCCC1 ZINC000853466131 595759064 /nfs/dbraw/zinc/75/90/64/595759064.db2.gz SUIBTULIINXPJC-INIZCTEOSA-N 2 0 327.517 1.044 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]CCN2CCC([NH+](C)C)CC2)CC1 ZINC000850438763 595834122 /nfs/dbraw/zinc/83/41/22/595834122.db2.gz DBKJORJCKUTMJF-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000851663872 595874449 /nfs/dbraw/zinc/87/44/49/595874449.db2.gz LKKKHMQDUCDCEJ-RDJZCZTQSA-N 2 0 330.476 1.935 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCCCCC[NH3+])cc1 ZINC000851667209 595876927 /nfs/dbraw/zinc/87/69/27/595876927.db2.gz NVWXDUWDIJZBHH-ROUUACIJSA-N 2 0 348.491 1.959 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H](Oc2ccnc(C[N@H+](C)CC)c2)C1)[NH+](C)C ZINC000856630502 596040222 /nfs/dbraw/zinc/04/02/22/596040222.db2.gz GGYVOGDZGIUADP-QZTJIDSGSA-N 2 0 348.491 1.853 20 0 EDADRP Cc1[nH]c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c(C)c1C=O ZINC000859352009 596060391 /nfs/dbraw/zinc/06/03/91/596060391.db2.gz LYDUJXSHINTOCJ-UHFFFAOYSA-N 2 0 336.480 1.790 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000861702424 596073365 /nfs/dbraw/zinc/07/33/65/596073365.db2.gz NVKQWTTUUAJBMB-KVSKMBFKSA-N 2 0 346.475 1.015 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[NH+]1C ZINC000854642670 596145621 /nfs/dbraw/zinc/14/56/21/596145621.db2.gz QYAWXFLJGHJGIW-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](CCSc2ccccc2)C1 ZINC000866709896 596303823 /nfs/dbraw/zinc/30/38/23/596303823.db2.gz MSXWHRRAVSAJQD-VNQPRFMTSA-N 2 0 333.457 1.646 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21)c1ccccc1 ZINC000866723540 596310342 /nfs/dbraw/zinc/31/03/42/596310342.db2.gz FJGHOUUVNIQIRQ-OKZBNKHCSA-N 2 0 330.476 1.232 20 0 EDADRP CN(c1ccc(OCC[NH+](C)C)cc1)S(=O)(=O)CCC[NH+](C)C ZINC000866767259 596331849 /nfs/dbraw/zinc/33/18/49/596331849.db2.gz NYVNXCNRMOXOED-UHFFFAOYSA-N 2 0 343.493 1.345 20 0 EDADRP [NH3+][C@H]1CC[C@@H](C(=O)NCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000870865271 596382080 /nfs/dbraw/zinc/38/20/80/596382080.db2.gz LYAMLVADNSNEBJ-KDURUIRLSA-N 2 0 344.503 1.438 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)CC[NH2+]CC3CC3)CCCC2)CC1 ZINC000870884251 596389312 /nfs/dbraw/zinc/38/93/12/596389312.db2.gz RETPWGNHYOATIW-UHFFFAOYSA-N 2 0 337.508 1.916 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC[C@@H]1[NH3+] ZINC000870936991 596412054 /nfs/dbraw/zinc/41/20/54/596412054.db2.gz RNYDWUPNDYHVOW-ICCXJUOJSA-N 2 0 326.238 1.645 20 0 EDADRP CC(=O)NCC1CCC([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)CC1 ZINC000865457493 596581250 /nfs/dbraw/zinc/58/12/50/596581250.db2.gz MCRCGAZULGWTBE-ABHNRTSZSA-N 2 0 325.497 1.508 20 0 EDADRP CN1CCn2nc(NC(=O)Nc3cccc4c3CC[NH2+]C4)cc2C1 ZINC000868164056 596707012 /nfs/dbraw/zinc/70/70/12/596707012.db2.gz IBUWXDIRKQWHKF-UHFFFAOYSA-N 2 0 326.404 1.618 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3oc(=O)[nH]c32)C[C@H]1C[NH+](C)C ZINC000870018379 596710373 /nfs/dbraw/zinc/71/03/73/596710373.db2.gz PLLRZSJRMRMWMF-CHWSQXEVSA-N 2 0 346.431 1.345 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2OCCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870020838 596711935 /nfs/dbraw/zinc/71/19/35/596711935.db2.gz VEZXTXLFPPTNBG-ZHALLVOQSA-N 2 0 345.487 1.498 20 0 EDADRP CC(C)Oc1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870022125 596712640 /nfs/dbraw/zinc/71/26/40/596712640.db2.gz OMHVVCMKWRXPRV-HZPDHXFCSA-N 2 0 348.491 1.680 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868230208 596736687 /nfs/dbraw/zinc/73/66/87/596736687.db2.gz VUXNLQYZGGPABF-JKSUJKDBSA-N 2 0 330.432 1.040 20 0 EDADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868230998 596736702 /nfs/dbraw/zinc/73/67/02/596736702.db2.gz UQIWOPNGVFOFLV-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CCC1 ZINC000868235182 596739465 /nfs/dbraw/zinc/73/94/65/596739465.db2.gz OWHOMTWFYOMWFZ-LSDHHAIUSA-N 2 0 330.432 1.040 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(=O)c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000866041049 596770084 /nfs/dbraw/zinc/77/00/84/596770084.db2.gz MMJPWVJBDATHES-HUUCEWRRSA-N 2 0 335.423 1.206 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000868305598 596780112 /nfs/dbraw/zinc/78/01/12/596780112.db2.gz BYHVQLHUVWZSHF-ACHSLPGTSA-N 2 0 344.459 1.334 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)cc1 ZINC000868309544 596782447 /nfs/dbraw/zinc/78/24/47/596782447.db2.gz KPPVWBNDIXDVSS-DUVNUKRYSA-N 2 0 330.432 1.197 20 0 EDADRP COC(=O)CCNC(=O)C[N@@H+]1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872157026 596815891 /nfs/dbraw/zinc/81/58/91/596815891.db2.gz MZSUDBFNBIXRFL-HOCLYGCPSA-N 2 0 339.480 1.285 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@@H]1CC[N@H+](C[C@@H]2CCOc3ccccc32)C1 ZINC000872256210 596856426 /nfs/dbraw/zinc/85/64/26/596856426.db2.gz QTGUJAIRPPFPQM-JSSFPYSZSA-N 2 0 343.427 1.420 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(CC(C)(C)O)C1)c1cccc(-n2cnnn2)c1 ZINC000866411092 596879638 /nfs/dbraw/zinc/87/96/38/596879638.db2.gz BXCUTZGKDKDEGH-ZFWWWQNUSA-N 2 0 330.436 1.158 20 0 EDADRP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411788 596879710 /nfs/dbraw/zinc/87/97/10/596879710.db2.gz WDZOBSQEWLIYBF-BBRMVZONSA-N 2 0 337.439 1.978 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2cccs2)C[C@H]1C[NH+](C)C ZINC000864408839 596885646 /nfs/dbraw/zinc/88/56/46/596885646.db2.gz HIPLYFVTFZVBQO-HUUCEWRRSA-N 2 0 338.521 1.671 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875609297 596917922 /nfs/dbraw/zinc/91/79/22/596917922.db2.gz GTOOCYKCRVZBMB-GJZGRUSLSA-N 2 0 328.501 1.251 20 0 EDADRP C[C@@H]1CN(CN2CCC3(CCC3)C2=O)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000872595280 596981076 /nfs/dbraw/zinc/98/10/76/596981076.db2.gz DIXYENUTVHNULP-SJORKVTESA-N 2 0 334.508 1.304 20 0 EDADRP COc1cc(CNC(=O)C[NH+]2CCCC2)ccc1OCC[NH+](C)C ZINC000874266749 596992612 /nfs/dbraw/zinc/99/26/12/596992612.db2.gz QMORGCZWODBKNV-UHFFFAOYSA-N 2 0 335.448 1.348 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)Cc1ccccc1 ZINC000874431978 597075723 /nfs/dbraw/zinc/07/57/23/597075723.db2.gz DYBJAYRSWUUUOZ-RCCFBDPRSA-N 2 0 330.476 1.695 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000874432837 597076708 /nfs/dbraw/zinc/07/67/08/597076708.db2.gz RTSPWIKTOFYUPB-LRYGQEGESA-N 2 0 328.460 1.926 20 0 EDADRP C[NH+]1CCC(CNC(=O)NCC[NH+]2CCC2)(c2ccccc2)CC1 ZINC000876071205 597078536 /nfs/dbraw/zinc/07/85/36/597078536.db2.gz JITDGEVZAKCQEQ-UHFFFAOYSA-N 2 0 330.476 1.655 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000876519372 597227919 /nfs/dbraw/zinc/22/79/19/597227919.db2.gz XWKOPCBMCMMKRL-AWEZNQCLSA-N 2 0 329.400 1.581 20 0 EDADRP CC(C)[C@@H](C[NH3+])C[NH+]1CCC(c2nccc(N3CCOCC3)n2)CC1 ZINC000873212322 597229768 /nfs/dbraw/zinc/22/97/68/597229768.db2.gz IYUVUJOEAMXBGY-KRWDZBQOSA-N 2 0 347.507 1.724 20 0 EDADRP CC(=O)Nc1cccc2c1C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)CC2 ZINC000873217943 597231158 /nfs/dbraw/zinc/23/11/58/597231158.db2.gz VKMNUJUAQYBYCJ-OAHLLOKOSA-N 2 0 344.459 1.200 20 0 EDADRP CC[C@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)c1nccn1C ZINC000873244892 597237955 /nfs/dbraw/zinc/23/79/55/597237955.db2.gz VLOGEVABBZZZOL-INIZCTEOSA-N 2 0 325.420 1.700 20 0 EDADRP COC[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)C1CCOCC1 ZINC000873245401 597238164 /nfs/dbraw/zinc/23/81/64/597238164.db2.gz ZWAYXSSZHVHECU-GOSISDBHSA-N 2 0 345.447 1.257 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000876557171 597240366 /nfs/dbraw/zinc/24/03/66/597240366.db2.gz VNJVFGKVTOHOIF-LXXRFIIISA-N 2 0 335.492 1.694 20 0 EDADRP CC[C@H]1COCCN1CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000875072592 597270533 /nfs/dbraw/zinc/27/05/33/597270533.db2.gz CJBIVWQGWVNSFH-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000876712694 597299690 /nfs/dbraw/zinc/29/96/90/597299690.db2.gz TVAITMKBLWCNES-QGZVFWFLSA-N 2 0 347.507 1.968 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)/C=C\[C@H]2CCC[NH2+]C2)cc1 ZINC000876719701 597302970 /nfs/dbraw/zinc/30/29/70/597302970.db2.gz SNPMXPWMKNQSJQ-BSDKJSHOSA-N 2 0 331.460 1.799 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000876721979 597305670 /nfs/dbraw/zinc/30/56/70/597305670.db2.gz ZAOOFATYUDZLTM-CWDCEQMOSA-N 2 0 328.460 1.718 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000876765002 597329503 /nfs/dbraw/zinc/32/95/03/597329503.db2.gz QCRZXCJADMKXPV-XUWVNRHRSA-N 2 0 329.460 1.187 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876777815 597336862 /nfs/dbraw/zinc/33/68/62/597336862.db2.gz UEZOCGQYAUYQLM-CRAIPNDOSA-N 2 0 349.450 1.207 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@]3(C[NH3+])CCCOC3)cc2)CC1 ZINC000876780305 597338034 /nfs/dbraw/zinc/33/80/34/597338034.db2.gz UJLALADMVOZYQE-GOSISDBHSA-N 2 0 332.448 1.132 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000876800685 597344242 /nfs/dbraw/zinc/34/42/42/597344242.db2.gz PPSBQMCAFYFVET-INIZCTEOSA-N 2 0 329.404 1.455 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841012 597355687 /nfs/dbraw/zinc/35/56/87/597355687.db2.gz IQZZHLKGIBGQRQ-HKUYNNGSSA-N 2 0 330.476 1.048 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876868887 597363314 /nfs/dbraw/zinc/36/33/14/597363314.db2.gz NEDBUJLGTMIUPN-IXDOHACOSA-N 2 0 345.491 1.578 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876871708 597364025 /nfs/dbraw/zinc/36/40/25/597364025.db2.gz YJHBFBGSSLILLX-ZDUSSCGKSA-N 2 0 338.477 1.027 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000876888775 597370726 /nfs/dbraw/zinc/37/07/26/597370726.db2.gz GEFGWDLKPRJSFU-UEKDZROGSA-N 2 0 349.519 1.893 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000875296190 597373670 /nfs/dbraw/zinc/37/36/70/597373670.db2.gz UHURYLMQFQCQQQ-INIZCTEOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876942551 597391782 /nfs/dbraw/zinc/39/17/82/597391782.db2.gz ZFGGEATXQNXGCJ-HNNXBMFYSA-N 2 0 347.507 1.996 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC2CCC(C)(O)CC2)C[C@H]1C[NH+](C)C ZINC000875346438 597393588 /nfs/dbraw/zinc/39/35/88/597393588.db2.gz CAKDUKHHYHELPK-RSIVFMTNSA-N 2 0 340.512 1.061 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000876966542 597400738 /nfs/dbraw/zinc/40/07/38/597400738.db2.gz TVVHEJIDXRVDHD-ZQGOZJEZSA-N 2 0 331.435 1.943 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[C@H]([NH3+])C2(C)C)cc1F ZINC000876966323 597400965 /nfs/dbraw/zinc/40/09/65/597400965.db2.gz PPPZFUCBCAHQDP-YXPYIKCWSA-N 2 0 349.450 1.769 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C=C2CC[NH2+]CC2)cc1 ZINC000877008909 597410387 /nfs/dbraw/zinc/41/03/87/597410387.db2.gz CBBLSDGBRXZRJS-UHFFFAOYSA-N 2 0 330.432 1.226 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C[NH2+]1 ZINC000877045956 597420954 /nfs/dbraw/zinc/42/09/54/597420954.db2.gz HEFZTINICXQOES-ICCXJUOJSA-N 2 0 326.238 1.706 20 0 EDADRP Cc1nc(CCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cs1 ZINC000877199389 597459227 /nfs/dbraw/zinc/45/92/27/597459227.db2.gz PCGPRNXTWCYJMV-UHFFFAOYSA-N 2 0 331.445 1.827 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)(c2ccccc2)CC1 ZINC000877224934 597466586 /nfs/dbraw/zinc/46/65/86/597466586.db2.gz PNJLVQJATPBJHN-WBVHZDCISA-N 2 0 333.451 1.714 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@H]3C[C@@]34CCC[NH2+]C4)C[C@H]2[NH3+])cc1 ZINC000877238602 597474664 /nfs/dbraw/zinc/47/46/64/597474664.db2.gz ITJHNBUKBMUTFO-DODZYUBVSA-N 2 0 329.444 1.338 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000877257028 597481696 /nfs/dbraw/zinc/48/16/96/597481696.db2.gz KASBXUYQTPVCSR-DNVCBOLYSA-N 2 0 347.507 1.953 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000877342417 597496189 /nfs/dbraw/zinc/49/61/89/597496189.db2.gz BLLNXLUHKDVTRU-HXUWFJFHSA-N 2 0 335.451 1.819 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1(C)C ZINC000877361472 597501180 /nfs/dbraw/zinc/50/11/80/597501180.db2.gz UOOVRNLISOXAGX-OXIWPEFWSA-N 2 0 337.386 1.115 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N[C@@H]2CCCCC23CC[NH2+]CC3)nn1 ZINC000877407713 597511090 /nfs/dbraw/zinc/51/10/90/597511090.db2.gz VXMQDBNOATWFRH-OAHLLOKOSA-N 2 0 334.468 1.059 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)N2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)C1 ZINC000877443718 597516318 /nfs/dbraw/zinc/51/63/18/597516318.db2.gz GQUAZTKJXAOZRT-RMRDIRSESA-N 2 0 337.508 1.900 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000877445022 597516669 /nfs/dbraw/zinc/51/66/69/597516669.db2.gz OCNRDINFHLMEDG-PVAVHDDUSA-N 2 0 325.497 1.885 20 0 EDADRP COCC[N@@H+](Cc1ccc2oc(=O)n(C)c2c1)CC1CC[NH+](C)CC1 ZINC000877664193 597546034 /nfs/dbraw/zinc/54/60/34/597546034.db2.gz MONPAYAOSVDJBF-UHFFFAOYSA-N 2 0 347.459 1.922 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2c(F)ccc(O)c2F)C[C@H]1C[NH+](C)C ZINC000877669805 597546593 /nfs/dbraw/zinc/54/65/93/597546593.db2.gz AATZKQHHZXLKGK-CHWSQXEVSA-N 2 0 327.419 1.842 20 0 EDADRP O[C@H](C[C@H](O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000877969760 597567070 /nfs/dbraw/zinc/56/70/70/597567070.db2.gz HDJRTARFMMSWMS-VQTJNVASSA-N 2 0 348.487 1.515 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(CC(=O)Nc2ncccc2C)C1 ZINC000878159484 597582910 /nfs/dbraw/zinc/58/29/10/597582910.db2.gz YEPUJYVAPPDROM-INIZCTEOSA-N 2 0 334.464 1.761 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000883055809 597634374 /nfs/dbraw/zinc/63/43/74/597634374.db2.gz TYPJZYFWDPAYEE-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C[C@@]3(O)CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000879580144 597641601 /nfs/dbraw/zinc/64/16/01/597641601.db2.gz RVBSTOAPEWUNKA-AABGKKOBSA-N 2 0 329.488 1.649 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C(F)F)n[nH]1 ZINC000878589049 597645960 /nfs/dbraw/zinc/64/59/60/597645960.db2.gz CNSBCTMYHLNGFK-LBPRGKRZSA-N 2 0 343.422 1.835 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)c2ccc(Cl)cc2)CC1 ZINC000878619148 597657052 /nfs/dbraw/zinc/65/70/52/597657052.db2.gz KWWUZAUABISFKX-MRXNPFEDSA-N 2 0 339.867 1.564 20 0 EDADRP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCC3(CCOCC3)CO1)CCO2 ZINC000878769395 597706280 /nfs/dbraw/zinc/70/62/80/597706280.db2.gz OOLKYBNOZQWURD-QGZVFWFLSA-N 2 0 338.492 1.759 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000883300783 597706398 /nfs/dbraw/zinc/70/63/98/597706398.db2.gz HMGOAGIFPRKCJM-KKUMJFAQSA-N 2 0 343.537 1.699 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883415871 597739317 /nfs/dbraw/zinc/73/93/17/597739317.db2.gz HEXVPIUMXAHOGP-HOTGVXAUSA-N 2 0 336.480 1.166 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000883441955 597748583 /nfs/dbraw/zinc/74/85/83/597748583.db2.gz BDJMZUTYUJGIDJ-IRXDYDNUSA-N 2 0 346.475 1.567 20 0 EDADRP CCOC(=O)c1sc([C@H]2CC[N@H+](CCOCC[NH3+])C2)nc1C ZINC000883448665 597750760 /nfs/dbraw/zinc/75/07/60/597750760.db2.gz MSGFNPVNMJRHIX-LBPRGKRZSA-N 2 0 327.450 1.393 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCC[C@H]([NH2+]C3CCOCC3)C2)CC[N@@H+]1C ZINC000883456797 597755297 /nfs/dbraw/zinc/75/52/97/597755297.db2.gz JKEDWIPYLGXYMN-PVAVHDDUSA-N 2 0 338.496 1.412 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000883490218 597773245 /nfs/dbraw/zinc/77/32/45/597773245.db2.gz HHNKCKDOQSPWGI-MRXNPFEDSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883575933 597809265 /nfs/dbraw/zinc/80/92/65/597809265.db2.gz UOBAHTDIACOWOA-PWSUYJOCSA-N 2 0 331.342 1.191 20 0 EDADRP C[C@@H]1CN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCN1c1cc[nH+]cc1 ZINC000883679919 597859957 /nfs/dbraw/zinc/85/99/57/597859957.db2.gz XRKNXDYFTLJLDR-DUZACMNTSA-N 2 0 343.475 1.927 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](C[C@@H](O)COC[C@H]1CCCO1)CC2 ZINC000879248438 597864088 /nfs/dbraw/zinc/86/40/88/597864088.db2.gz ONUKESSULNUPPZ-IAGOWNOFSA-N 2 0 326.481 1.351 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000127636019 597874154 /nfs/dbraw/zinc/87/41/54/597874154.db2.gz AKTXFZJKTIYWGS-BBRMVZONSA-N 2 0 331.416 1.534 20 0 EDADRP O=C(C[C@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000127640885 597883138 /nfs/dbraw/zinc/88/31/38/597883138.db2.gz QNYCGVDOXBHJKQ-KGLIPLIRSA-N 2 0 331.416 1.534 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)CC1(O)CCOCC1 ZINC000880517394 597953234 /nfs/dbraw/zinc/95/32/34/597953234.db2.gz PZHUIXSLXNMMQD-KRWDZBQOSA-N 2 0 328.497 1.477 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884196018 598023694 /nfs/dbraw/zinc/02/36/94/598023694.db2.gz FTOMPCMTRODPIM-KGLIPLIRSA-N 2 0 340.265 1.905 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@H]([NH3+])CC2CC2)CC1)Cc1ccccc1 ZINC000884213133 598031765 /nfs/dbraw/zinc/03/17/65/598031765.db2.gz UOLWAXMWUVGTLC-LJQANCHMSA-N 2 0 344.503 1.390 20 0 EDADRP COCC[C@@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223725 598035324 /nfs/dbraw/zinc/03/53/24/598035324.db2.gz XRBRJHIFCBMZHR-ATLSCFEFSA-N 2 0 333.476 1.623 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884242731 598040401 /nfs/dbraw/zinc/04/04/01/598040401.db2.gz GVTAHJNAGQCIMO-QGZVFWFLSA-N 2 0 328.460 1.886 20 0 EDADRP [NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000884280443 598053550 /nfs/dbraw/zinc/05/35/50/598053550.db2.gz LRNUOIXHPOJHHA-APWZRJJASA-N 2 0 326.444 1.640 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000884414648 598097863 /nfs/dbraw/zinc/09/78/63/598097863.db2.gz YEAJJUUXDCYOTB-KRWDZBQOSA-N 2 0 347.459 1.268 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C)C[NH+](C)C ZINC000914072731 695063062 /nfs/dbraw/zinc/06/30/62/695063062.db2.gz WSEFWZNHKGDRLU-IAGOWNOFSA-N 2 0 342.528 1.763 20 0 EDADRP CCO[C@H](CNC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1)C[NH+](C)C ZINC000914074386 695069382 /nfs/dbraw/zinc/06/93/82/695069382.db2.gz DKEVCZMABZWINS-OWCLPIDISA-N 2 0 328.501 1.373 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1cccnc1 ZINC000914160682 695172508 /nfs/dbraw/zinc/17/25/08/695172508.db2.gz ISEKGDJWPNETKN-YJBOKZPZSA-N 2 0 345.491 1.858 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnon3)[C@H]2C1)C1CCC1 ZINC000992717481 695233635 /nfs/dbraw/zinc/23/36/35/695233635.db2.gz VUTFJYAXTSDVCH-RRQGHBQHSA-N 2 0 347.463 1.271 20 0 EDADRP CC[N@H+](C)C(C)(C)C(=O)NCC[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001060464426 695249821 /nfs/dbraw/zinc/24/98/21/695249821.db2.gz WRIUTVHNQGXBOP-CQSZACIVSA-N 2 0 349.479 1.037 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CC1)N1CCc2sccc2C1 ZINC000914193348 695262062 /nfs/dbraw/zinc/26/20/62/695262062.db2.gz XJVKIDGKUUXNLW-ZDUSSCGKSA-N 2 0 336.505 1.888 20 0 EDADRP CC(C)(CNS(=O)(=O)C[C@@]12CC[N@H+](C1)CCC2)C[NH+]1CCCC1 ZINC000914429192 695403491 /nfs/dbraw/zinc/40/34/91/695403491.db2.gz LPHMLODBYFXQNK-KRWDZBQOSA-N 2 0 343.537 1.514 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211250 696583499 /nfs/dbraw/zinc/58/34/99/696583499.db2.gz YHHAQYKGRAHSSH-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@@H+]1CCOC1CCC1 ZINC000994219004 696587653 /nfs/dbraw/zinc/58/76/53/696587653.db2.gz AIKDIGZNNYPRPA-WMLDXEAASA-N 2 0 334.464 1.501 20 0 EDADRP Cc1ncccc1C[N@H+]1CCC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H]1C ZINC000994257803 696664096 /nfs/dbraw/zinc/66/40/96/696664096.db2.gz UGHVPESTLVGUEH-FUHWJXTLSA-N 2 0 342.487 1.955 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2C[NH+](C)C)[C@H]1C ZINC000994489176 696931268 /nfs/dbraw/zinc/93/12/68/696931268.db2.gz TXFSSSZCJNMVNY-CRAIPNDOSA-N 2 0 333.476 1.977 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000917413282 697014441 /nfs/dbraw/zinc/01/44/41/697014441.db2.gz ZLUHCTIZZLCVSK-UKRRQHHQSA-N 2 0 326.485 1.268 20 0 EDADRP O=C(CC1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1)NC1CCCC1 ZINC000920210988 697408230 /nfs/dbraw/zinc/40/82/30/697408230.db2.gz XOEUVSDQBNTOCJ-SFHVURJKSA-N 2 0 337.508 1.604 20 0 EDADRP Cc1cc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cs1 ZINC001031688815 697527114 /nfs/dbraw/zinc/52/71/14/697527114.db2.gz LLLOBYWUTLXOPM-SJORKVTESA-N 2 0 349.500 1.468 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCOc2ccccc2)C1 ZINC001031713566 697733053 /nfs/dbraw/zinc/73/30/53/697733053.db2.gz BXUPYLWEKOVJBG-LJQANCHMSA-N 2 0 345.487 1.988 20 0 EDADRP CC(C)=CC[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC001031727770 697978252 /nfs/dbraw/zinc/97/82/52/697978252.db2.gz SEGFAQCQCLGJDR-SFHVURJKSA-N 2 0 335.492 1.644 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccnn2C)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943337619 698155666 /nfs/dbraw/zinc/15/56/66/698155666.db2.gz YUHJYRQPVKGFOG-CRAIPNDOSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]C[C@H]2CCOC2)CC1 ZINC000940109082 700221710 /nfs/dbraw/zinc/22/17/10/700221710.db2.gz LBOUAARVMJHFCN-SJORKVTESA-N 2 0 337.508 1.866 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C1CC[NH2+]CC1 ZINC000237958659 698557396 /nfs/dbraw/zinc/55/73/96/698557396.db2.gz UIGDODJIPXXZIE-UHFFFAOYSA-N 2 0 331.416 1.534 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)C2CC[NH+](C(C)C)CC2)C1)OC ZINC001032094326 698590731 /nfs/dbraw/zinc/59/07/31/698590731.db2.gz HGKBCOSIGDZHDF-QGZVFWFLSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000940120970 700254239 /nfs/dbraw/zinc/25/42/39/700254239.db2.gz VTOIGHMVZREBAP-NVXWUHKLSA-N 2 0 347.507 1.539 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2C[C@]23CCOC3)C1)C12CCC[NH+](CCC1)C2 ZINC001031764683 699049852 /nfs/dbraw/zinc/04/98/52/699049852.db2.gz KCIFIYGDKJQRIY-XLIONFOSSA-N 2 0 347.503 1.337 20 0 EDADRP CCCCCC[C@H](C)[NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000181044568 699088565 /nfs/dbraw/zinc/08/85/65/699088565.db2.gz MPXMAOXUZXRELF-DLBZAZTESA-N 2 0 325.497 1.868 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)cn1 ZINC000939054987 699115619 /nfs/dbraw/zinc/11/56/19/699115619.db2.gz RWIOYXXUBPWBJE-RHSMWYFYSA-N 2 0 346.475 1.369 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129774 699227245 /nfs/dbraw/zinc/22/72/45/699227245.db2.gz ZHARRKBPPGBUTB-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@H]2CCCOC2)C1 ZINC001031802441 699364299 /nfs/dbraw/zinc/36/42/99/699364299.db2.gz QRNOHHGPIYOWHJ-SJLPKXTDSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC000939256869 699434005 /nfs/dbraw/zinc/43/40/05/699434005.db2.gz FTTFRKTZIBHERU-DYVFJYSZSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC000939394102 699544418 /nfs/dbraw/zinc/54/44/18/699544418.db2.gz AOZRTWKQQRFOGO-QAPCUYQASA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939394507 699544800 /nfs/dbraw/zinc/54/48/00/699544800.db2.gz CALBXQDQZKXUNH-WBVHZDCISA-N 2 0 333.480 1.089 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)Cc3[nH]cnc3C)C[C@@H]2C)cc1 ZINC000939622861 699760074 /nfs/dbraw/zinc/76/00/74/699760074.db2.gz OQVIMHJTGOBJBR-SCLBCKFNSA-N 2 0 342.443 1.906 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)CCc3cncn3C)C[C@@H]2C)sn1 ZINC000939642967 699774938 /nfs/dbraw/zinc/77/49/38/699774938.db2.gz NUMJFISEVQQQEU-LRDDRELGSA-N 2 0 347.488 1.754 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cnn(C(C)(C)C)c1 ZINC000939754300 699904552 /nfs/dbraw/zinc/90/45/52/699904552.db2.gz MDHLJRKXZFXGCO-RDJZCZTQSA-N 2 0 347.507 1.670 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cn1 ZINC000939755934 699922480 /nfs/dbraw/zinc/92/24/80/699922480.db2.gz SEILKGNWGMPAGJ-GOEBONIOSA-N 2 0 332.448 1.123 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]2C)o1 ZINC000939757594 699924782 /nfs/dbraw/zinc/92/47/82/699924782.db2.gz YWARELZWNIKNEA-HIFRSBDPSA-N 2 0 334.464 1.578 20 0 EDADRP Cc1oncc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000940149665 700282838 /nfs/dbraw/zinc/28/28/38/700282838.db2.gz NSLZWCNZSPHXFR-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000940159671 700292910 /nfs/dbraw/zinc/29/29/10/700292910.db2.gz OHZBVZZTYMWKCY-MRXNPFEDSA-N 2 0 347.507 1.765 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccc(OC)nc2)CC1)[NH+](C)C ZINC000940176801 700309711 /nfs/dbraw/zinc/30/97/11/700309711.db2.gz PNZVZPUXCHRARI-MRXNPFEDSA-N 2 0 348.491 1.901 20 0 EDADRP CC1([NH2+]C[C@@H]2CCOC2)CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000940232186 700397771 /nfs/dbraw/zinc/39/77/71/700397771.db2.gz OQGCEFVSJYORRM-WMZOPIPTSA-N 2 0 349.519 1.868 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995054502 700416769 /nfs/dbraw/zinc/41/67/69/700416769.db2.gz MCCQDIXDIGZVJW-CVEARBPZSA-N 2 0 347.507 1.669 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940328027 700506028 /nfs/dbraw/zinc/50/60/28/700506028.db2.gz CPXIPRMNENOUCS-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nccs2)CC1 ZINC000940329248 700508379 /nfs/dbraw/zinc/50/83/79/700508379.db2.gz SHVHIKMWEXCJNM-ZIAGYGMSSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)no1 ZINC000940329160 700508538 /nfs/dbraw/zinc/50/85/38/700508538.db2.gz QKSZPZOUEIGVHR-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP CCn1ncnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000940329474 700508895 /nfs/dbraw/zinc/50/88/95/700508895.db2.gz UBGURQVGRASAHT-HNNXBMFYSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cccnc2)CC1 ZINC000940329707 700509708 /nfs/dbraw/zinc/50/97/08/700509708.db2.gz XPQFXQPIJMODSF-WBVHZDCISA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnon2)CC1)[NH+]1CCCCCC1 ZINC000940366374 700547736 /nfs/dbraw/zinc/54/77/36/700547736.db2.gz VEDTUYLPNXQPHZ-OAHLLOKOSA-N 2 0 349.479 1.805 20 0 EDADRP Cn1ccc(C[NH2+]C2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)n1 ZINC000940366423 700548057 /nfs/dbraw/zinc/54/80/57/700548057.db2.gz XRROXTVEFATQAB-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC000940426285 700620015 /nfs/dbraw/zinc/62/00/15/700620015.db2.gz NNSPIPGIJQIJAS-IRXDYDNUSA-N 2 0 337.508 1.726 20 0 EDADRP CC1([NH2+]C[C@@H]2CCCOC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427896 700621931 /nfs/dbraw/zinc/62/19/31/700621931.db2.gz QVKGLJSYDOJKAZ-INIZCTEOSA-N 2 0 335.492 1.480 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000940472373 700657894 /nfs/dbraw/zinc/65/78/94/700657894.db2.gz UVEIICYHNFOJAX-ZIAGYGMSSA-N 2 0 349.479 1.722 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940472654 700658102 /nfs/dbraw/zinc/65/81/02/700658102.db2.gz OPUFNYJOBVPVBT-MRXNPFEDSA-N 2 0 348.495 1.160 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000940457604 700661197 /nfs/dbraw/zinc/66/11/97/700661197.db2.gz MOWLJGYCINSGCC-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000940457482 700661213 /nfs/dbraw/zinc/66/12/13/700661213.db2.gz HTAOWHYHBRWFSP-HNNXBMFYSA-N 2 0 333.480 1.325 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940457685 700661397 /nfs/dbraw/zinc/66/13/97/700661397.db2.gz PNTLABXDFJSNHE-OAHLLOKOSA-N 2 0 348.491 1.968 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995078537 700671078 /nfs/dbraw/zinc/67/10/78/700671078.db2.gz KLGAJEAPJCYYLG-GOEBONIOSA-N 2 0 334.464 1.699 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3CCOCC3)C2)CC1 ZINC000995079877 700694582 /nfs/dbraw/zinc/69/45/82/700694582.db2.gz PMGMUXHGRLMADR-WMZOPIPTSA-N 2 0 337.508 1.629 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccccn3)C2)CC1 ZINC000995079969 700695041 /nfs/dbraw/zinc/69/50/41/700695041.db2.gz QAJAEEDSDAFOID-WBVHZDCISA-N 2 0 330.476 1.798 20 0 EDADRP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625698 700787772 /nfs/dbraw/zinc/78/77/72/700787772.db2.gz UZIMXDNQNFAZQJ-CVEARBPZSA-N 2 0 334.464 1.794 20 0 EDADRP CC1(C)C[N@H+](CCO)CC[C@H]1NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000940801887 700907277 /nfs/dbraw/zinc/90/72/77/700907277.db2.gz YQTOAIXELAFOMZ-IAGOWNOFSA-N 2 0 337.508 1.602 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3cnon3)C2)CC1 ZINC000995108107 700962170 /nfs/dbraw/zinc/96/21/70/700962170.db2.gz BHSGYDVPSUXHFO-CABCVRRESA-N 2 0 335.452 1.176 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)C1 ZINC001031918833 701037567 /nfs/dbraw/zinc/03/75/67/701037567.db2.gz IIBYXCWGKBJQPM-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC000995170741 701686348 /nfs/dbraw/zinc/68/63/48/701686348.db2.gz XTDYCIGPQPYTFY-KBPBESRZSA-N 2 0 343.431 1.824 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCOC2)C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001031921864 701070216 /nfs/dbraw/zinc/07/02/16/701070216.db2.gz KHIOBANKEIYYHL-LPHOPBHVSA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCN(Cc3cnon3)CC2(C)C)C1 ZINC000941163324 701228073 /nfs/dbraw/zinc/22/80/73/701228073.db2.gz JNIMNRXBHCHUGZ-HIFRSBDPSA-N 2 0 335.452 1.128 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217274 701403463 /nfs/dbraw/zinc/40/34/63/701403463.db2.gz LNVBQYZSIOMSBW-RHSMWYFYSA-N 2 0 348.491 1.905 20 0 EDADRP Cn1nccc1CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941217645 701404152 /nfs/dbraw/zinc/40/41/52/701404152.db2.gz RJUMULCUEGLWKE-RDJZCZTQSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1oncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC000941221543 701412021 /nfs/dbraw/zinc/41/20/21/701412021.db2.gz WVMINWBPNLSYNA-MRXNPFEDSA-N 2 0 334.464 1.796 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC000995132193 701418171 /nfs/dbraw/zinc/41/81/71/701418171.db2.gz IGAXNWGRYYXFBU-SJORKVTESA-N 2 0 347.507 1.527 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236900 701427418 /nfs/dbraw/zinc/42/74/18/701427418.db2.gz CNVZHJFUZMMEMH-MAUKXSAKSA-N 2 0 347.503 1.959 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCO)CC1(C)C ZINC000941236962 701427553 /nfs/dbraw/zinc/42/75/53/701427553.db2.gz DLWSTKRJXJNVIP-HOTGVXAUSA-N 2 0 325.497 1.460 20 0 EDADRP Cn1ccnc1C[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518510 706604299 /nfs/dbraw/zinc/60/42/99/706604299.db2.gz VGEMRGFZRVDHKF-IXDOHACOSA-N 2 0 345.491 1.185 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)C1 ZINC000941408845 701521285 /nfs/dbraw/zinc/52/12/85/701521285.db2.gz WRGAKGYVQLRRBI-QZTJIDSGSA-N 2 0 348.535 1.489 20 0 EDADRP O=C(N1CCN(C2C[NH+](CC3CC3)C2)CC1)C12CCC[NH+](CCC1)C2 ZINC000941455530 701548689 /nfs/dbraw/zinc/54/86/89/701548689.db2.gz UCKKCBJBOPMKSI-UHFFFAOYSA-N 2 0 346.519 1.101 20 0 EDADRP Cc1nn(C)cc1CN1CC(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001032129459 701821591 /nfs/dbraw/zinc/82/15/91/701821591.db2.gz YOBFKPUYUVQQDU-AEFFLSMTSA-N 2 0 347.507 1.397 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1C[NH+](CC[C@@H]2CCOC2)C1 ZINC001032134285 701890941 /nfs/dbraw/zinc/89/09/41/701890941.db2.gz RKOUFZYKSBRSFN-CQSZACIVSA-N 2 0 332.448 1.236 20 0 EDADRP Cn1ccnc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995821581 702090401 /nfs/dbraw/zinc/09/04/01/702090401.db2.gz JGANEOVMBSNTLZ-HZPDHXFCSA-N 2 0 345.491 1.089 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995824857 702095844 /nfs/dbraw/zinc/09/58/44/702095844.db2.gz LLKKFHAEQHWGLU-BMFZPTHFSA-N 2 0 333.480 1.087 20 0 EDADRP CC1(C)CN(C(=O)CCc2c[nH]cn2)C[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995879078 702185866 /nfs/dbraw/zinc/18/58/66/702185866.db2.gz BJTRBYBJBKUKPX-ZBFHGGJFSA-N 2 0 334.464 1.596 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895617 702199121 /nfs/dbraw/zinc/19/91/21/702199121.db2.gz LWSLJDUIULBUSL-IAGOWNOFSA-N 2 0 345.491 1.452 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995897467 702201676 /nfs/dbraw/zinc/20/16/76/702201676.db2.gz RJPQTBGTQNDQHD-IAGOWNOFSA-N 2 0 348.491 1.904 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995891168 702233483 /nfs/dbraw/zinc/23/34/83/702233483.db2.gz CMIZAAQDCREAHH-IRXDYDNUSA-N 2 0 345.491 1.452 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000995928317 702258241 /nfs/dbraw/zinc/25/82/41/702258241.db2.gz TUUSBEGXMOHDRA-HOTGVXAUSA-N 2 0 336.480 1.896 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000995965134 702312045 /nfs/dbraw/zinc/31/20/45/702312045.db2.gz IAAUEPDJBXPHPO-IRXDYDNUSA-N 2 0 349.519 1.726 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000996001360 702380889 /nfs/dbraw/zinc/38/08/89/702380889.db2.gz YKQHAUQINPYLHA-CVEARBPZSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996225015 702634549 /nfs/dbraw/zinc/63/45/49/702634549.db2.gz YGDRGWAANBENFT-MRXNPFEDSA-N 2 0 334.464 1.651 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)n1 ZINC000996246603 702650135 /nfs/dbraw/zinc/65/01/35/702650135.db2.gz JEKQNPWPLULLER-MRXNPFEDSA-N 2 0 333.480 1.089 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996249781 702652148 /nfs/dbraw/zinc/65/21/48/702652148.db2.gz RBKAZVZYUGWKCJ-INIZCTEOSA-N 2 0 333.480 1.089 20 0 EDADRP COc1ncccc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995207610 702656994 /nfs/dbraw/zinc/65/69/94/702656994.db2.gz FJEWNLCHUDUFIG-DOTOQJQBSA-N 2 0 346.475 1.561 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302610 702694855 /nfs/dbraw/zinc/69/48/55/702694855.db2.gz XWQSVXVFUSTJJE-RDJZCZTQSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996302768 702694893 /nfs/dbraw/zinc/69/48/93/702694893.db2.gz ZCJBHANCAXTPTD-CXAGYDPISA-N 2 0 348.491 1.960 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)n1 ZINC000996477784 702809714 /nfs/dbraw/zinc/80/97/14/702809714.db2.gz OSKVNNLTAZNAGK-YJBOKZPZSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518230 702853843 /nfs/dbraw/zinc/85/38/43/702853843.db2.gz INVWPJGBFSYSRF-NVXWUHKLSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)nn1C ZINC000996519019 702854455 /nfs/dbraw/zinc/85/44/55/702854455.db2.gz MGGIHZOTKRJKBK-WBVHZDCISA-N 2 0 347.507 1.397 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996522333 702858275 /nfs/dbraw/zinc/85/82/75/702858275.db2.gz YQOPQOXDUVNCFF-RHSMWYFYSA-N 2 0 348.466 1.889 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607536 702910580 /nfs/dbraw/zinc/91/05/80/702910580.db2.gz CJEGAWRGSOQJKL-HOCLYGCPSA-N 2 0 346.475 1.369 20 0 EDADRP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)CC2)C1 ZINC000996618344 702924732 /nfs/dbraw/zinc/92/47/32/702924732.db2.gz FLFWVMOXAMRKJI-MSOLQXFVSA-N 2 0 349.519 1.866 20 0 EDADRP CC1(C)CC(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CCC[C@H]4CO3)CC2)C1 ZINC000996618358 702925129 /nfs/dbraw/zinc/92/51/29/702925129.db2.gz FLFWVMOXAMRKJI-ZWKOTPCHSA-N 2 0 349.519 1.866 20 0 EDADRP Cc1nnsc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000996674355 702969623 /nfs/dbraw/zinc/96/96/23/702969623.db2.gz CASPDFPMUZJKPI-HNNXBMFYSA-N 2 0 337.493 1.267 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996675020 702969971 /nfs/dbraw/zinc/96/99/71/702969971.db2.gz DWPLFCXXLJYXKY-KRWDZBQOSA-N 2 0 334.464 1.658 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996679095 702977831 /nfs/dbraw/zinc/97/78/31/702977831.db2.gz PWSVFEUFDCWSBM-XJKSGUPXSA-N 2 0 334.464 1.965 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000996688291 702985773 /nfs/dbraw/zinc/98/57/73/702985773.db2.gz HSPQESCVDIRWIX-HNNXBMFYSA-N 2 0 335.452 1.333 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996720204 703013981 /nfs/dbraw/zinc/01/39/81/703013981.db2.gz RXMLDWYJJSJEMB-DLBZAZTESA-N 2 0 343.475 1.574 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996721019 703016335 /nfs/dbraw/zinc/01/63/35/703016335.db2.gz WJQOQSREHWESQF-IRXDYDNUSA-N 2 0 332.448 1.772 20 0 EDADRP O=C(N1CCC([NH2+]CCn2cccn2)CC1)C12CCC[NH+](CCC1)C2 ZINC000996725224 703019646 /nfs/dbraw/zinc/01/96/46/703019646.db2.gz FLZOBBZPHIOQRN-UHFFFAOYSA-N 2 0 345.491 1.340 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996766868 703058495 /nfs/dbraw/zinc/05/84/95/703058495.db2.gz MSUWBMZEDHILKQ-UHFFFAOYSA-N 2 0 332.448 1.692 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)co1 ZINC000996769541 703061031 /nfs/dbraw/zinc/06/10/31/703061031.db2.gz GYLSMUNUCRVFOJ-UHFFFAOYSA-N 2 0 332.448 1.692 20 0 EDADRP Cc1cc(C)cc(C[N@H+]2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CN(C)CCO2)c1 ZINC001032331382 703108163 /nfs/dbraw/zinc/10/81/63/703108163.db2.gz BFLRARYPPTWTEB-GBESFXJTSA-N 2 0 343.471 1.419 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)on1 ZINC000996867454 703140362 /nfs/dbraw/zinc/14/03/62/703140362.db2.gz IQGLTOPTNSNZIF-UHFFFAOYSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cn(C)nn3)CC2)C1 ZINC000996902267 703176780 /nfs/dbraw/zinc/17/67/80/703176780.db2.gz DYJRPHGCANEHFQ-OAHLLOKOSA-N 2 0 348.495 1.018 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000996922137 703193071 /nfs/dbraw/zinc/19/30/71/703193071.db2.gz MRFIZSQKZDLNHJ-HOTGVXAUSA-N 2 0 347.507 1.714 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)CC1 ZINC000996946244 703214948 /nfs/dbraw/zinc/21/49/48/703214948.db2.gz PJACIGRMKMKKGE-UHFFFAOYSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CCN(Cc2nccn2C)CC1 ZINC000996977121 703241838 /nfs/dbraw/zinc/24/18/38/703241838.db2.gz GWRJCKASZHIKKT-GDBMZVCRSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996997739 703254635 /nfs/dbraw/zinc/25/46/35/703254635.db2.gz GFDCBIQMDOMCBH-HZPDHXFCSA-N 2 0 345.491 1.911 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)o1 ZINC000996998479 703255454 /nfs/dbraw/zinc/25/54/54/703255454.db2.gz KARKPYROXCZTSU-STQMWFEESA-N 2 0 335.452 1.504 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)[nH]1 ZINC000996996945 703260624 /nfs/dbraw/zinc/26/06/24/703260624.db2.gz CJNJFLMUUPZXAD-STQMWFEESA-N 2 0 334.468 1.239 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)cn1 ZINC000997005071 703262504 /nfs/dbraw/zinc/26/25/04/703262504.db2.gz CEBGISRBNPWQQD-YJBOKZPZSA-N 2 0 347.507 1.224 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1C ZINC000997007064 703264382 /nfs/dbraw/zinc/26/43/82/703264382.db2.gz OHFRPPCQYAWZAT-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000997008369 703266211 /nfs/dbraw/zinc/26/62/11/703266211.db2.gz LSDWKWMPJWJYJE-YJBOKZPZSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)c(C)o1 ZINC000997008677 703266718 /nfs/dbraw/zinc/26/67/18/703266718.db2.gz WCOCBSXHMUHQPY-ZDUSSCGKSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c(C)n1 ZINC000997012934 703272618 /nfs/dbraw/zinc/27/26/18/703272618.db2.gz YQEJJKSUFRYYKB-KUHUBIRLSA-N 2 0 344.503 1.977 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCOC)CC2)CC[N@@H+]1C ZINC000997093545 703340776 /nfs/dbraw/zinc/34/07/76/703340776.db2.gz JTPFAEBCAZROHC-HYVNUMGLSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000921529537 703389933 /nfs/dbraw/zinc/38/99/33/703389933.db2.gz BGCFVTWAPWRPMT-HOTGVXAUSA-N 2 0 338.496 1.148 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)C1 ZINC000997131852 703391152 /nfs/dbraw/zinc/39/11/52/703391152.db2.gz IOKMDJWAEJGQOE-SJLPKXTDSA-N 2 0 339.524 1.563 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)nn1 ZINC000997176646 703461198 /nfs/dbraw/zinc/46/11/98/703461198.db2.gz AEIDTSPPVHKEPA-RHSMWYFYSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000997184951 703473353 /nfs/dbraw/zinc/47/33/53/703473353.db2.gz AQAAYGOCMFQPNK-HOTGVXAUSA-N 2 0 335.492 1.478 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC([NH2+]Cc2cscn2)CC1 ZINC000997186309 703475606 /nfs/dbraw/zinc/47/56/06/703475606.db2.gz KXHDZGBLMJTGNJ-UHFFFAOYSA-N 2 0 345.472 1.999 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997301803 703544879 /nfs/dbraw/zinc/54/48/79/703544879.db2.gz GVJZPXGIEXKVTO-LSDHHAIUSA-N 2 0 331.464 1.378 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccncc3Cl)CC2)C1 ZINC000997298342 703556322 /nfs/dbraw/zinc/55/63/22/703556322.db2.gz IOZWCFPGMPRDRL-CQSZACIVSA-N 2 0 336.867 1.767 20 0 EDADRP COCc1cccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997298588 703556409 /nfs/dbraw/zinc/55/64/09/703556409.db2.gz KDDVSHZYFYODIR-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3cccc(Cl)n3)CC2)C1 ZINC000997299493 703556965 /nfs/dbraw/zinc/55/69/65/703556965.db2.gz OHWKPRIBIOXODP-CYBMUJFWSA-N 2 0 336.867 1.767 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997299956 703557161 /nfs/dbraw/zinc/55/71/61/703557161.db2.gz SMEWNVDSVYPQIO-INIZCTEOSA-N 2 0 331.460 1.728 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997304015 703563656 /nfs/dbraw/zinc/56/36/56/703563656.db2.gz QJWMSNMCIUAQOE-MRXNPFEDSA-N 2 0 333.480 1.032 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000997307026 703565409 /nfs/dbraw/zinc/56/54/09/703565409.db2.gz LPPPLTFXBLEIOZ-UHFFFAOYSA-N 2 0 336.505 1.670 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000997359207 703589800 /nfs/dbraw/zinc/58/98/00/703589800.db2.gz GTZYCFUBUHFFQH-BETUJISGSA-N 2 0 337.493 1.492 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997359173 703589847 /nfs/dbraw/zinc/58/98/47/703589847.db2.gz GEBIDZIYTHEILY-HZPDHXFCSA-N 2 0 333.480 1.337 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)no2)CC1 ZINC000997364422 703597752 /nfs/dbraw/zinc/59/77/52/703597752.db2.gz MUOGBOCCTOPYFP-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997366596 703600430 /nfs/dbraw/zinc/60/04/30/703600430.db2.gz HGTDZAXKTVXCMX-QGZVFWFLSA-N 2 0 333.480 1.338 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)co1 ZINC000997369270 703610691 /nfs/dbraw/zinc/61/06/91/703610691.db2.gz ZVVKLEXSNAWMHI-UHFFFAOYSA-N 2 0 334.464 1.940 20 0 EDADRP CC[C@@H](CN1CC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)C1)OC ZINC001042901146 703736973 /nfs/dbraw/zinc/73/69/73/703736973.db2.gz XYAYDAPUZCJMRG-RDJZCZTQSA-N 2 0 325.497 1.532 20 0 EDADRP CC(C)n1ncnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997608329 703905157 /nfs/dbraw/zinc/90/51/57/703905157.db2.gz VAVVDMBCPQUWJJ-INIZCTEOSA-N 2 0 348.495 1.281 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995549246 703932400 /nfs/dbraw/zinc/93/24/00/703932400.db2.gz BRONXQMAPMVYNK-GJZGRUSLSA-N 2 0 333.480 1.324 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001033082678 704139864 /nfs/dbraw/zinc/13/98/64/704139864.db2.gz UHFKRZWRUHPFCJ-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999301869 706805415 /nfs/dbraw/zinc/80/54/15/706805415.db2.gz DGVAFFJKMZSYNW-QZTJIDSGSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CNC(=O)C2)CC1 ZINC000922782169 704335445 /nfs/dbraw/zinc/33/54/45/704335445.db2.gz XHQHVAZXSAAHRT-KRWDZBQOSA-N 2 0 344.503 1.834 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccnn2C)C1 ZINC000999309645 706812507 /nfs/dbraw/zinc/81/25/07/706812507.db2.gz VJMCYFRDJBQABV-FUHWJXTLSA-N 2 0 347.507 1.418 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([C@@H]2CCC[N@@H+]2CCO)CC1)[NH+](C)C ZINC001004463554 704451416 /nfs/dbraw/zinc/45/14/16/704451416.db2.gz LRMGNFGFCJBVQC-IRXDYDNUSA-N 2 0 325.497 1.268 20 0 EDADRP C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000997688181 704560890 /nfs/dbraw/zinc/56/08/90/704560890.db2.gz IBXBZCGIJIWVQX-INIZCTEOSA-N 2 0 347.503 1.613 20 0 EDADRP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000997708610 704601862 /nfs/dbraw/zinc/60/18/62/704601862.db2.gz UQTHKDKBCDPERE-LZLYRXPVSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997821633 704741667 /nfs/dbraw/zinc/74/16/67/704741667.db2.gz NTFSMIVGBGVYJV-KRWDZBQOSA-N 2 0 348.495 1.018 20 0 EDADRP C[C@@H]1CC[C@H](C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)O1 ZINC000997822480 704742134 /nfs/dbraw/zinc/74/21/34/704742134.db2.gz FECRYGWPZOYYPB-NVXWUHKLSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)CCC1 ZINC000997824769 704744450 /nfs/dbraw/zinc/74/44/50/704744450.db2.gz VGJSJSGCCYNPQV-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997829526 704748059 /nfs/dbraw/zinc/74/80/59/704748059.db2.gz AJBUVSSQYQAGFF-CYBMUJFWSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000997831014 704751248 /nfs/dbraw/zinc/75/12/48/704751248.db2.gz OJPPNQZSJRXYEE-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnc(C)nc2)CC1)[NH+](C)C ZINC000997855584 704764200 /nfs/dbraw/zinc/76/42/00/704764200.db2.gz NROHVYCDIIQFBB-QGZVFWFLSA-N 2 0 333.480 1.453 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000997864374 704771014 /nfs/dbraw/zinc/77/10/14/704771014.db2.gz GHFQNQDOUXSEBZ-KRWDZBQOSA-N 2 0 347.507 1.716 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2ccccn2)CC1 ZINC000997860920 704771839 /nfs/dbraw/zinc/77/18/39/704771839.db2.gz OCXCYTCEEVPJDS-RDJZCZTQSA-N 2 0 330.476 1.750 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C12CCC[NH+]1CCC2 ZINC000997888316 704790608 /nfs/dbraw/zinc/79/06/08/704790608.db2.gz JKJPNWAMLUNIDQ-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000997889075 704791046 /nfs/dbraw/zinc/79/10/46/704791046.db2.gz RKVAJIOLUMKASN-UHFFFAOYSA-N 2 0 347.463 1.335 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000997950261 705076906 /nfs/dbraw/zinc/07/69/06/705076906.db2.gz RDQVUXBEGRMARC-ROUUACIJSA-N 2 0 347.507 1.680 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CC(C)(C)CO2)CC[N@@H+]1C ZINC001032587390 705111140 /nfs/dbraw/zinc/11/11/40/705111140.db2.gz WSTPTQZJEKQHMC-KFGODFMUSA-N 2 0 349.519 1.817 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)CC[N@@H+]1C ZINC000998004792 705167197 /nfs/dbraw/zinc/16/71/97/705167197.db2.gz PLRDAENLEZNVEZ-HOCLYGCPSA-N 2 0 334.464 1.733 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C3CC[NH+](C)CC3)CC2)no1 ZINC000998027832 705214974 /nfs/dbraw/zinc/21/49/74/705214974.db2.gz OIUFYPSQGFACIY-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998077306 705297804 /nfs/dbraw/zinc/29/78/04/705297804.db2.gz DGBZJGQBEQFHGD-XJKSGUPXSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nocc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998081574 705302418 /nfs/dbraw/zinc/30/24/18/705302418.db2.gz JVGFVBLSWUYWOY-AWEZNQCLSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cc(C)n(CCN2C[C@@H]3C[C@H]2CN3C(=O)[C@@H](C(C)C)[NH+](C)C)n1 ZINC001032611272 705581975 /nfs/dbraw/zinc/58/19/75/705581975.db2.gz GBIPRCQSLSMRCF-OKZBNKHCSA-N 2 0 347.507 1.371 20 0 EDADRP Cn1cncc1CCC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998252928 705607846 /nfs/dbraw/zinc/60/78/46/705607846.db2.gz DTKZBDYHGCBETG-UHFFFAOYSA-N 2 0 348.476 1.233 20 0 EDADRP Cc1ncccc1C[NH2+]CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000998268463 705644342 /nfs/dbraw/zinc/64/43/42/705644342.db2.gz GHKNXEGHMHLWKO-UHFFFAOYSA-N 2 0 330.476 1.814 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000998287855 705682751 /nfs/dbraw/zinc/68/27/51/705682751.db2.gz RCAVPXWQUFXZJA-UHFFFAOYSA-N 2 0 334.464 1.879 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000998287552 705686144 /nfs/dbraw/zinc/68/61/44/705686144.db2.gz OLBWMZJBPVWBLL-GASCZTMLSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)Cn3ccnc3)CC2)s1 ZINC000998298387 705701989 /nfs/dbraw/zinc/70/19/89/705701989.db2.gz XBWIWILNOLVDGC-LBPRGKRZSA-N 2 0 348.476 1.632 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1C1CC1 ZINC000998547832 705980422 /nfs/dbraw/zinc/98/04/22/705980422.db2.gz AXKFOYDRESUHLQ-BCLQGDPASA-N 2 0 346.479 1.095 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000998547998 705983148 /nfs/dbraw/zinc/98/31/48/705983148.db2.gz FEXACFFMTQEFPM-AVVWSFFYSA-N 2 0 348.495 1.206 20 0 EDADRP Cc1ncsc1CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998548291 705983239 /nfs/dbraw/zinc/98/32/39/705983239.db2.gz FZURRRJSXPXLFX-YMAMQOFZSA-N 2 0 336.505 1.667 20 0 EDADRP CCOc1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000998548926 705984689 /nfs/dbraw/zinc/98/46/89/705984689.db2.gz IQAZQRWMKJRWOD-JCYILVPMSA-N 2 0 346.475 1.654 20 0 EDADRP CC(C)Cn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998550403 705986556 /nfs/dbraw/zinc/98/65/56/705986556.db2.gz LZGSNKOKMKCZEC-GPANFISMSA-N 2 0 348.495 1.107 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998550754 705987568 /nfs/dbraw/zinc/98/75/68/705987568.db2.gz PFNUQXDPVYAWKE-XUJLQICISA-N 2 0 334.464 1.719 20 0 EDADRP Cn1c(Cl)cnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998722033 706153690 /nfs/dbraw/zinc/15/36/90/706153690.db2.gz NSGBWTKHQYZYIT-CHWSQXEVSA-N 2 0 339.871 1.248 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000998731337 706164056 /nfs/dbraw/zinc/16/40/56/706164056.db2.gz NZTHUFPKUSLLAA-HOCLYGCPSA-N 2 0 334.464 1.720 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2nncn2C)C1 ZINC000998900804 706337420 /nfs/dbraw/zinc/33/74/20/706337420.db2.gz HSJCKBNXJUMNPH-HWOWSKLDSA-N 2 0 348.495 1.157 20 0 EDADRP Cc1cccnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000998996300 706413826 /nfs/dbraw/zinc/41/38/26/706413826.db2.gz ZAOVBZUPONHZBJ-HTWSVDAQSA-N 2 0 330.476 1.953 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000998986645 706418332 /nfs/dbraw/zinc/41/83/32/706418332.db2.gz HJDHGZLNZSEXPV-UHFFFAOYSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2nccs2)C1 ZINC000999051707 706472384 /nfs/dbraw/zinc/47/23/84/706472384.db2.gz RMAXTOSOPFAUMX-UHFFFAOYSA-N 2 0 334.489 1.851 20 0 EDADRP Cc1nocc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518149 706550884 /nfs/dbraw/zinc/55/08/84/706550884.db2.gz OQERZOIVNGLGGD-SOLBZPMBSA-N 2 0 346.475 1.748 20 0 EDADRP Cc1nonc1C[NH+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946518154 706574735 /nfs/dbraw/zinc/57/47/35/706574735.db2.gz OTWHORLMBQTIFU-UXLLHSPISA-N 2 0 347.463 1.143 20 0 EDADRP CC(C)C[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000999352024 706865048 /nfs/dbraw/zinc/86/50/48/706865048.db2.gz HUYKRYRKLMAKMG-FUHWJXTLSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999374821 706869262 /nfs/dbraw/zinc/86/92/62/706869262.db2.gz SCBSYZQKSWEZNM-MSOLQXFVSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999376384 706870867 /nfs/dbraw/zinc/87/08/67/706870867.db2.gz WBEBXYROGXAZIP-IRXDYDNUSA-N 2 0 331.464 1.206 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999362379 706875557 /nfs/dbraw/zinc/87/55/57/706875557.db2.gz AOHAARPIRDZVTC-SJORKVTESA-N 2 0 333.480 1.324 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000999406624 706916180 /nfs/dbraw/zinc/91/61/80/706916180.db2.gz OQFZEWALANXXGB-MNNVXMFVSA-N 2 0 345.487 1.742 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CC3CC(F)(F)C3)C2)C1 ZINC000999409134 706918879 /nfs/dbraw/zinc/91/88/79/706918879.db2.gz ORVMEQOJOHKLOP-LRVUVFPRSA-N 2 0 329.435 1.953 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]CCn2cc(Cl)cn2)C1)[NH+](C)C ZINC000999490034 707026133 /nfs/dbraw/zinc/02/61/33/707026133.db2.gz NTEOQACANXEWQZ-LSDHHAIUSA-N 2 0 341.887 1.457 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCCN(C(=O)c2ccn3c[nH+]cc3c2)C1 ZINC000999618372 707138095 /nfs/dbraw/zinc/13/80/95/707138095.db2.gz FZUFNMRKBFDGSW-OAHLLOKOSA-N 2 0 338.415 1.462 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)c(C)o1 ZINC000999711749 707307677 /nfs/dbraw/zinc/30/76/77/707307677.db2.gz ZOKZHVIWNSHPCS-UHFFFAOYSA-N 2 0 332.448 1.466 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001033279712 707348039 /nfs/dbraw/zinc/34/80/39/707348039.db2.gz WOGPIEXXGJISSS-AGYKMIKPSA-N 2 0 347.503 1.573 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCc2ccns2)C1 ZINC001033196599 707411392 /nfs/dbraw/zinc/41/13/92/707411392.db2.gz DETCYCCDMNTWAA-ZBFHGGJFSA-N 2 0 336.505 1.703 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)cn1 ZINC000999834852 707467789 /nfs/dbraw/zinc/46/77/89/707467789.db2.gz YDXJQSKBIPBZIG-QQFBHYJXSA-N 2 0 331.464 1.521 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)sn1 ZINC000999836929 707472984 /nfs/dbraw/zinc/47/29/84/707472984.db2.gz MFENHZAXACZPGM-PNESKVBLSA-N 2 0 338.477 1.182 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999873629 707518514 /nfs/dbraw/zinc/51/85/14/707518514.db2.gz VAOODASCGIKDTJ-MRXNPFEDSA-N 2 0 334.464 1.938 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnns2)C1 ZINC000999876167 707523373 /nfs/dbraw/zinc/52/33/73/707523373.db2.gz HOEASRWZSASJFX-SSDMNJCBSA-N 2 0 337.493 1.492 20 0 EDADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004882004 707530094 /nfs/dbraw/zinc/53/00/94/707530094.db2.gz ZASBMBKXLUOCSO-PBHICJAKSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)[NH+](C)C ZINC001000113059 707704482 /nfs/dbraw/zinc/70/44/82/707704482.db2.gz PBJKDQDSMUCSSF-ZWKOTPCHSA-N 2 0 339.524 1.970 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392075 707725271 /nfs/dbraw/zinc/72/52/71/707725271.db2.gz YLIKNPNJTTVBMH-MRXNPFEDSA-N 2 0 348.491 1.920 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033397640 707738060 /nfs/dbraw/zinc/73/80/60/707738060.db2.gz ULUWMLKJFACACL-CABCVRRESA-N 2 0 345.434 1.285 20 0 EDADRP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CCCCN1C(=O)Cc1ncc[nH]1 ZINC001004967778 707765627 /nfs/dbraw/zinc/76/56/27/707765627.db2.gz SDWBRQUAQNKSDD-HOCLYGCPSA-N 2 0 334.464 1.738 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCn2cccn2)C1 ZINC001033220902 707792288 /nfs/dbraw/zinc/79/22/88/707792288.db2.gz CSGMKOFYNFBLBG-QZTJIDSGSA-N 2 0 347.507 1.536 20 0 EDADRP Cc1oncc1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982080 707860954 /nfs/dbraw/zinc/86/09/54/707860954.db2.gz OSSZDNIJGPCJLL-PBHICJAKSA-N 2 0 346.475 1.938 20 0 EDADRP CC(C)[NH+]1CCC(C2(NC(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)CC1 ZINC001000213933 707876259 /nfs/dbraw/zinc/87/62/59/707876259.db2.gz KXUDXEVFBYLFSV-URSIVYNOSA-N 2 0 347.503 1.619 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033230368 707891040 /nfs/dbraw/zinc/89/10/40/707891040.db2.gz MVQOHHNIJIRTNH-MRXNPFEDSA-N 2 0 338.415 1.377 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1)c1cnccn1 ZINC001000387881 708001283 /nfs/dbraw/zinc/00/12/83/708001283.db2.gz IHJCCWPGUCFYPV-NVXWUHKLSA-N 2 0 345.491 1.850 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cnc3n2CCOC3)(N2CCCCC2)CC1 ZINC000921792480 708044585 /nfs/dbraw/zinc/04/45/85/708044585.db2.gz XUPYUSNRUOFLGS-UHFFFAOYSA-N 2 0 347.507 1.453 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3nc4ccccc4o3)C2)C1 ZINC001000921105 708076880 /nfs/dbraw/zinc/07/68/80/708076880.db2.gz WSJJQAAQSJCOQF-CABCVRRESA-N 2 0 342.443 1.860 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582953 708266881 /nfs/dbraw/zinc/26/68/81/708266881.db2.gz RTBAMMYVXIQLHB-HZPDHXFCSA-N 2 0 334.464 1.666 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001033571405 708274541 /nfs/dbraw/zinc/27/45/41/708274541.db2.gz NVOGOSSFEHWFQY-CRAIPNDOSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2ccc(F)cc2)C1 ZINC001033592446 708291139 /nfs/dbraw/zinc/29/11/39/708291139.db2.gz HAZSPJSYFCKPPW-KRWDZBQOSA-N 2 0 331.435 1.954 20 0 EDADRP Cc1nocc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001826448 708328835 /nfs/dbraw/zinc/32/88/35/708328835.db2.gz UIRSIBNBAWJCGW-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC001033664502 708446322 /nfs/dbraw/zinc/44/63/22/708446322.db2.gz HIUFMORGKGPSFK-QFBILLFUSA-N 2 0 343.471 1.701 20 0 EDADRP CN(C(=O)c1ccccc1C[NH+](C)C)[C@@H]1CC[N@H+](C[C@H]2CCOC2)C1 ZINC001033686570 708500963 /nfs/dbraw/zinc/50/09/63/708500963.db2.gz QXAFCMCEVJVKRA-SJLPKXTDSA-N 2 0 345.487 1.931 20 0 EDADRP COc1ncccc1C[NH+]1CCC(CNC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001002121583 708635438 /nfs/dbraw/zinc/63/54/38/708635438.db2.gz RRCJFGXOYNOGAX-INIZCTEOSA-N 2 0 346.475 1.370 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCc2ccnn2C)C1 ZINC001033833124 708857311 /nfs/dbraw/zinc/85/73/11/708857311.db2.gz FOLMUUSPEIQFEM-BPQIPLTHSA-N 2 0 347.507 1.226 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005398328 708881878 /nfs/dbraw/zinc/88/18/78/708881878.db2.gz NSZUCYROSMGICH-LPHOPBHVSA-N 2 0 349.519 1.678 20 0 EDADRP CCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033928489 709060391 /nfs/dbraw/zinc/06/03/91/709060391.db2.gz ZDXPVZNRVGKWIP-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CCN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCCO)C1 ZINC001034046271 709299528 /nfs/dbraw/zinc/29/95/28/709299528.db2.gz RFGCVLULTBCDAY-SFHVURJKSA-N 2 0 333.476 1.667 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002830716 709441844 /nfs/dbraw/zinc/44/18/44/709441844.db2.gz BWNOEGFIRRIOPY-INIZCTEOSA-N 2 0 348.516 1.874 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@@H]2CCCC[NH+](Cc3cnn(C)c3)C2)CC[N@@H+]1C ZINC001034215183 709568560 /nfs/dbraw/zinc/56/85/60/709568560.db2.gz WZMOAUOZHXONPL-DJIMGWMZSA-N 2 0 333.480 1.231 20 0 EDADRP CC[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1)OC ZINC001002995603 709743248 /nfs/dbraw/zinc/74/32/48/709743248.db2.gz POCPSSVUGMINMC-AEFFLSMTSA-N 2 0 339.524 1.970 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001003007532 709776614 /nfs/dbraw/zinc/77/66/14/709776614.db2.gz JLNHZDQSMFOOCS-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCOC3CCC3)C2)C1 ZINC001034394790 709931523 /nfs/dbraw/zinc/93/15/23/709931523.db2.gz RORXXWSCZHMFMX-IRXDYDNUSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@@H]2CCCC[N@H+](C[C@@H]3CCOC3)C2)CC1 ZINC001034431769 709999978 /nfs/dbraw/zinc/99/99/78/709999978.db2.gz NZEHMYPUENMQBQ-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001034463740 710033396 /nfs/dbraw/zinc/03/33/96/710033396.db2.gz VNGBQNSMYVOKQT-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP CC1(C)CO[C@H](C[N@@H+]2CCCC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001034490358 710109191 /nfs/dbraw/zinc/10/91/91/710109191.db2.gz HYXXKPDVMHPQGW-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1ncsc1C[NH+]1CCCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001034526337 710178580 /nfs/dbraw/zinc/17/85/80/710178580.db2.gz XGPJAODCLQAYPQ-GJZGRUSLSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1ccnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC001034608399 710281788 /nfs/dbraw/zinc/28/17/88/710281788.db2.gz BWKRYFKXOFRDHN-JYJNAYRXSA-N 2 0 331.464 1.396 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC001034610350 710284562 /nfs/dbraw/zinc/28/45/62/710284562.db2.gz MMBZBKVWMVFNOB-JKQORVJESA-N 2 0 331.464 1.649 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647262 710323824 /nfs/dbraw/zinc/32/38/24/710323824.db2.gz BQWZVAPIHRIENU-KCYZZUKISA-N 2 0 348.495 1.155 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001003492322 710374988 /nfs/dbraw/zinc/37/49/88/710374988.db2.gz GHGXKOWWJAWZEW-QAPCUYQASA-N 2 0 337.508 1.745 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001003519065 710396243 /nfs/dbraw/zinc/39/62/43/710396243.db2.gz ZJUXHMTWYYMNRZ-HNNXBMFYSA-N 2 0 349.475 1.962 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](C[C@H]3CCCOC3)CC2)CC1 ZINC001003841605 710675989 /nfs/dbraw/zinc/67/59/89/710675989.db2.gz PXRYEQQRDFLFEU-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034733798 710914770 /nfs/dbraw/zinc/91/47/70/710914770.db2.gz DCCYUPPRBMPNGG-FVQBIDKESA-N 2 0 334.464 1.842 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCCOC3)CC2)C1 ZINC001034734069 710915409 /nfs/dbraw/zinc/91/54/09/710915409.db2.gz JDBLXNSFSQDAIT-XMTFNYHQSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC001034735324 710920464 /nfs/dbraw/zinc/92/04/64/710920464.db2.gz FGEOVZWNVHPSFN-QKPAOTATSA-N 2 0 348.495 1.377 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034736928 710947989 /nfs/dbraw/zinc/94/79/89/710947989.db2.gz DPAZIXBMSFMJMU-MIGQKNRLSA-N 2 0 334.464 1.698 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[C@H]([NH2+]CC3CCC3)CC2)cn1 ZINC001034753486 710990011 /nfs/dbraw/zinc/99/00/11/710990011.db2.gz IGHPFRPUTXQFAE-IYARVYRRSA-N 2 0 347.507 1.875 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)cn1 ZINC001034778801 711082732 /nfs/dbraw/zinc/08/27/32/711082732.db2.gz ZUXZIONTSRAQEV-WKILWMFISA-N 2 0 343.475 1.398 20 0 EDADRP Cc1ncsc1C[NH+]1CCC(NC(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001003969480 711117873 /nfs/dbraw/zinc/11/78/73/711117873.db2.gz XDPYQEQGVZCNBZ-AWEZNQCLSA-N 2 0 336.505 1.874 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034793373 711123688 /nfs/dbraw/zinc/12/36/88/711123688.db2.gz YNNPQTRAFYSGHK-BPUTZDHNSA-N 2 0 334.464 1.706 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)s1 ZINC001003981112 711163535 /nfs/dbraw/zinc/16/35/35/711163535.db2.gz ZIIWLLBZKAAGHS-UHFFFAOYSA-N 2 0 348.516 1.936 20 0 EDADRP O=C(NC1CC[NH+](CCC2CCOCC2)CC1)C12CC[NH+](CC1)C2 ZINC001003984358 711185640 /nfs/dbraw/zinc/18/56/40/711185640.db2.gz DHEZXVIANBSOHO-UHFFFAOYSA-N 2 0 335.492 1.480 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H]2CCC[N@@H+]2C)sn1 ZINC001034883626 711286276 /nfs/dbraw/zinc/28/62/76/711286276.db2.gz UBYWKRVOFUWHAP-TZMCWYRMSA-N 2 0 338.477 1.327 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cn3ccccc3n1)C2 ZINC000922388129 711429698 /nfs/dbraw/zinc/42/96/98/711429698.db2.gz OOWHAPKTGQFXIM-PSBWJHGTSA-N 2 0 328.460 1.904 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2ccn(C)n2)C1 ZINC001034958652 711432112 /nfs/dbraw/zinc/43/21/12/711432112.db2.gz LXJOBCFSOOFNJO-FUHWJXTLSA-N 2 0 347.507 1.479 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(CO)cc1)C1CC1 ZINC001034959600 711434749 /nfs/dbraw/zinc/43/47/49/711434749.db2.gz DWBNGHHUPTYWEU-RTBURBONSA-N 2 0 345.487 1.600 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3c(cnn3C)c1)C2 ZINC000922389824 711437926 /nfs/dbraw/zinc/43/79/26/711437926.db2.gz KOUQVBYMVIRFCR-MTNOOBJLSA-N 2 0 343.475 1.538 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cnoc2C)CC[N@@H+]1C ZINC001034940979 711445149 /nfs/dbraw/zinc/44/51/49/711445149.db2.gz JLKHFFIAOGOWGP-IXDOHACOSA-N 2 0 334.464 1.794 20 0 EDADRP CN(C)c1cccc(C[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004142082 711542108 /nfs/dbraw/zinc/54/21/08/711542108.db2.gz HCDMZJIQDMKDQQ-QGZVFWFLSA-N 2 0 344.503 1.785 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000922511138 711640999 /nfs/dbraw/zinc/64/09/99/711640999.db2.gz SQRWWJYSFUMIJN-XHSDSOJGSA-N 2 0 342.553 1.986 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([C@H]2CCC[N@@H+]2C[C@@H]2CCOC2)CC1 ZINC001004617512 712077421 /nfs/dbraw/zinc/07/74/21/712077421.db2.gz QVGJEVCHTXEVAQ-PKOBYXMFSA-N 2 0 349.519 1.822 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)ccn1 ZINC000359900936 282109708 /nfs/dbraw/zinc/10/97/08/282109708.db2.gz QVBJIFNAQCRAQZ-SJORKVTESA-N 2 0 346.475 1.721 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCCN2C(=O)C1CC[NH+](C2CC2)CC1 ZINC000365136264 282212740 /nfs/dbraw/zinc/21/27/40/282212740.db2.gz JYDCMJNGLMLASY-KURKYZTESA-N 2 0 335.492 1.571 20 0 EDADRP C[NH+](C)[C@H](Cc1ccccc1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000371589975 282251369 /nfs/dbraw/zinc/25/13/69/282251369.db2.gz KAKAEVVLGWLROW-OKZBNKHCSA-N 2 0 331.460 1.139 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)CCSC1 ZINC000360754283 282273745 /nfs/dbraw/zinc/27/37/45/282273745.db2.gz LRNZAOVKLKMUDV-ZBFHGGJFSA-N 2 0 326.510 1.303 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183564802 282306728 /nfs/dbraw/zinc/30/67/28/282306728.db2.gz RTJXUEZFSRFFSO-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000560315373 306264106 /nfs/dbraw/zinc/26/41/06/306264106.db2.gz SKPWKGPKCQJNNT-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP COC1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000178841227 232534866 /nfs/dbraw/zinc/53/48/66/232534866.db2.gz QXNLXUPFRBYRSV-QGZVFWFLSA-N 2 0 345.487 1.878 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2S(C)(=O)=O)[C@@H]2CCC[C@H]21 ZINC000560583952 306275112 /nfs/dbraw/zinc/27/51/12/306275112.db2.gz DOHNZMNTJPKICX-YHUYYLMFSA-N 2 0 329.510 1.263 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433349016 539558438 /nfs/dbraw/zinc/55/84/38/539558438.db2.gz XMFHMHKBSYKDBM-CQSZACIVSA-N 2 0 327.494 1.757 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000332818836 539605384 /nfs/dbraw/zinc/60/53/84/539605384.db2.gz ADHXWDDCPIXJEE-JKSUJKDBSA-N 2 0 339.528 1.042 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH+]3CCC([C@H]4CCC[NH2+]4)CC3)C2=O)n1 ZINC000420335637 282713029 /nfs/dbraw/zinc/71/30/29/282713029.db2.gz KRORUGKBZBGXFT-CVEARBPZSA-N 2 0 331.464 1.380 20 0 EDADRP COCCN(C)C[C@@H](O)C[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000562441644 306298683 /nfs/dbraw/zinc/29/86/83/306298683.db2.gz CNCICXTXLKKBJH-RBUKOAKNSA-N 2 0 335.492 1.526 20 0 EDADRP CCOc1cc(C[N@H+](C)CCC[NH3+])ccc1O[C@H](C)C(=O)N(C)C ZINC000563130475 306319510 /nfs/dbraw/zinc/31/95/10/306319510.db2.gz YUUXLWKVYZLXOY-CQSZACIVSA-N 2 0 337.464 1.721 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000342765988 291048331 /nfs/dbraw/zinc/04/83/31/291048331.db2.gz RJDAGEDPYCWDGV-PMPSAXMXSA-N 2 0 339.480 1.380 20 0 EDADRP C[C@H](C[NH2+]Cc1cncc(Br)c1)N1CC[NH+](C)CC1 ZINC000183700696 235201687 /nfs/dbraw/zinc/20/16/87/235201687.db2.gz BMSRGORQCZAHQO-GFCCVEGCSA-N 2 0 327.270 1.570 20 0 EDADRP COC(=O)CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000050032203 138130585 /nfs/dbraw/zinc/13/05/85/138130585.db2.gz MJMCVHUVPGWNEM-UHFFFAOYSA-N 2 0 339.480 1.251 20 0 EDADRP CCCCN(CC)C(=O)C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000076682490 138248976 /nfs/dbraw/zinc/24/89/76/138248976.db2.gz HJZDTOVQLIMRBH-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP C[NH2+][C@H]1CCN(C(=O)NCC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000563578755 306339595 /nfs/dbraw/zinc/33/95/95/306339595.db2.gz NNRPXZZSQWFFLZ-HNNXBMFYSA-N 2 0 338.496 1.413 20 0 EDADRP O=S(=O)(C1CC1)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000090231562 138278240 /nfs/dbraw/zinc/27/82/40/138278240.db2.gz XDOYAXAPARLVOT-CABCVRRESA-N 2 0 327.494 1.159 20 0 EDADRP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)s1 ZINC000092746451 138290308 /nfs/dbraw/zinc/29/03/08/138290308.db2.gz OVINZSUMWHHUMO-ZIAGYGMSSA-N 2 0 340.537 1.927 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](C)O1 ZINC000130297270 138340681 /nfs/dbraw/zinc/34/06/81/138340681.db2.gz NGCBTBGEWDFMJS-HOTGVXAUSA-N 2 0 333.476 1.977 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000132045899 138370789 /nfs/dbraw/zinc/37/07/89/138370789.db2.gz PNQZIGMFUVPJCO-BQFCYCMXSA-N 2 0 339.524 1.920 20 0 EDADRP Cc1cccc(N2CCC(NC(=O)[C@@H](C)N3CCSCC3)CC2)n1 ZINC000132206000 138372784 /nfs/dbraw/zinc/37/27/84/138372784.db2.gz SJVKTLJLGARGNF-OAHLLOKOSA-N 2 0 348.516 1.912 20 0 EDADRP O=c1c2ccccc2ncn1CC[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000563668487 306344424 /nfs/dbraw/zinc/34/44/24/306344424.db2.gz ACDQHDCDBLVGST-KRWDZBQOSA-N 2 0 326.444 1.861 20 0 EDADRP CCC[C@H]1CN(C(=O)NCCC[NH2+]C(C)C)CC[N@@H+]1CCOC ZINC000563875525 306350985 /nfs/dbraw/zinc/35/09/85/306350985.db2.gz WKOFHKDTBUGCAZ-INIZCTEOSA-N 2 0 328.501 1.517 20 0 EDADRP COC1CCC(CC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000564321744 306358274 /nfs/dbraw/zinc/35/82/74/306358274.db2.gz KVCKMVNEOXTKSW-MTCSXPRVSA-N 2 0 328.497 1.641 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)C1(C)C ZINC000249073324 535440514 /nfs/dbraw/zinc/44/05/14/535440514.db2.gz MDXAETDLYGOOCG-IIDMSEBBSA-N 2 0 325.497 1.756 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)cc1 ZINC000564562462 306360738 /nfs/dbraw/zinc/36/07/38/306360738.db2.gz GZQAZGFNUPVQBG-HOJAQTOUSA-N 2 0 348.487 1.702 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000565099021 306375536 /nfs/dbraw/zinc/37/55/36/306375536.db2.gz OSGMKKBWIBVFDG-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000187947425 138830047 /nfs/dbraw/zinc/83/00/47/138830047.db2.gz XVKSNROIYQIHGY-DLBZAZTESA-N 2 0 335.448 1.010 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCC(=O)N2CCN(c3ccccc3)CC2)C1 ZINC000566020277 306396862 /nfs/dbraw/zinc/39/68/62/306396862.db2.gz KTONQMUSIDLDQX-ZWKOTPCHSA-N 2 0 344.503 1.975 20 0 EDADRP CC[C@@H]1CCCC[C@@H]1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000566059371 306397172 /nfs/dbraw/zinc/39/71/72/306397172.db2.gz UYWPRHYWZIHZKM-CVEARBPZSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414478658 304117811 /nfs/dbraw/zinc/11/78/11/304117811.db2.gz FOZXFCCXVPGLKX-KRWDZBQOSA-N 2 0 347.503 1.709 20 0 EDADRP Cc1cnc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1C ZINC000414528817 304121797 /nfs/dbraw/zinc/12/17/97/304121797.db2.gz UQFSEVWXNPLBIZ-UHFFFAOYSA-N 2 0 328.460 1.845 20 0 EDADRP CC(C)C[C@H]([NH3+])CN1CCN(C[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000414694632 304128581 /nfs/dbraw/zinc/12/85/81/304128581.db2.gz NGBFLZYHNURSCA-ZWKOTPCHSA-N 2 0 326.529 1.087 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)c1 ZINC000414701698 304129932 /nfs/dbraw/zinc/12/99/32/304129932.db2.gz KOOVEBYSVMEATK-GJZGRUSLSA-N 2 0 346.475 1.724 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414707549 304130870 /nfs/dbraw/zinc/13/08/70/304130870.db2.gz PUMMRTQLGWZUDW-CYBMUJFWSA-N 2 0 330.432 1.219 20 0 EDADRP COc1cccc(C(=O)N2CC[NH+](C[C@H]3CC[NH2+][C@H](C)C3)CC2)c1 ZINC000414734365 304134593 /nfs/dbraw/zinc/13/45/93/304134593.db2.gz KVQKVZDEWGOQPS-CVEARBPZSA-N 2 0 331.460 1.841 20 0 EDADRP Cc1ccc(C2CC[NH+](C[C@H]3CCCN(C(=O)C[NH3+])C3)CC2)cn1 ZINC000414739028 304135238 /nfs/dbraw/zinc/13/52/38/304135238.db2.gz IRBNTUIJSMAEOX-MRXNPFEDSA-N 2 0 330.476 1.767 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000414740684 304135796 /nfs/dbraw/zinc/13/57/96/304135796.db2.gz RJEDFYFTUGQYRB-KBPBESRZSA-N 2 0 332.448 1.493 20 0 EDADRP CCC(CC)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000414847370 304147327 /nfs/dbraw/zinc/14/73/27/304147327.db2.gz UTPMYUAIXVXMBJ-INIZCTEOSA-N 2 0 334.464 1.566 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000415043108 304153696 /nfs/dbraw/zinc/15/36/96/304153696.db2.gz AEEBYUKDJQRBSU-AWEZNQCLSA-N 2 0 330.432 1.413 20 0 EDADRP COCCC(=O)N1CCC([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000415078565 304158213 /nfs/dbraw/zinc/15/82/13/304158213.db2.gz IWTCPWPWLVRJEG-RDJZCZTQSA-N 2 0 325.497 1.914 20 0 EDADRP CN(c1ccccc1C[NH2+]C[C@H]1CNCCO1)C1CC[NH+](C)CC1 ZINC000415099400 304159928 /nfs/dbraw/zinc/15/99/28/304159928.db2.gz YELHNVUNESLZJK-GOSISDBHSA-N 3 0 332.492 1.295 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1=O ZINC000103500558 204082011 /nfs/dbraw/zinc/08/20/11/204082011.db2.gz XKVKZLZRKOVMMC-MRXNPFEDSA-N 2 0 333.407 1.731 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2ccc(F)cc2F)(N2CCOCC2)CC1 ZINC000567220394 306442504 /nfs/dbraw/zinc/44/25/04/306442504.db2.gz OHUAAKLNDHFPAK-UHFFFAOYSA-N 2 0 339.430 1.851 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC3CC[NH+](C)CC3)CC2)c1 ZINC000105079767 204132829 /nfs/dbraw/zinc/13/28/29/204132829.db2.gz KFFZUVFMSONPRD-UHFFFAOYSA-N 2 0 333.436 1.016 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N2CCCC23CC[NH+](C)CC3)cc1 ZINC000415148175 304165199 /nfs/dbraw/zinc/16/51/99/304165199.db2.gz KNTHHKAEOQOWFT-CQSZACIVSA-N 2 0 344.459 1.732 20 0 EDADRP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC3CC3)C2)[nH+]1 ZINC000195516217 139018840 /nfs/dbraw/zinc/01/88/40/139018840.db2.gz MSCLDRWAOGPVGH-UONOGXRCSA-N 2 0 345.447 1.501 20 0 EDADRP COc1ccc(CC[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cc1 ZINC000195519178 139019509 /nfs/dbraw/zinc/01/95/09/139019509.db2.gz AGMHDCJHMUHSOY-UHFFFAOYSA-N 2 0 333.476 1.628 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C[NH3+])CC(C)C)CC2)c1 ZINC000236621553 139027169 /nfs/dbraw/zinc/02/71/69/139027169.db2.gz DPAOBIXSZXOLCK-SFHVURJKSA-N 2 0 346.519 1.997 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C2CC[NH2+]CC2)nn1)[NH+]1CCC(C)CC1 ZINC000236647921 139027503 /nfs/dbraw/zinc/02/75/03/139027503.db2.gz GJZJTPCNDDVCIO-AWEZNQCLSA-N 2 0 334.468 1.053 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000415158882 304167646 /nfs/dbraw/zinc/16/76/46/304167646.db2.gz ZYOCTTSKCXMECJ-UHFFFAOYSA-N 2 0 344.459 1.431 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000236923445 139035377 /nfs/dbraw/zinc/03/53/77/139035377.db2.gz QJYBMXILFNMBNK-MJGOQNOKSA-N 2 0 346.519 1.997 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC3([NH3+])CCCCC3)cc2)CC1 ZINC000237213520 139044707 /nfs/dbraw/zinc/04/47/07/139044707.db2.gz VPXOSTIIPGDXJA-UHFFFAOYSA-N 2 0 344.503 1.825 20 0 EDADRP CN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000237229978 139045106 /nfs/dbraw/zinc/04/51/06/139045106.db2.gz XMPRNFUGODEMPH-ROUUACIJSA-N 2 0 342.443 1.439 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)C[C@@H](C)O1 ZINC000237399971 139050145 /nfs/dbraw/zinc/05/01/45/139050145.db2.gz GIEQSCLPEKMWRW-MDZRGWNJSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000237524606 139053316 /nfs/dbraw/zinc/05/33/16/139053316.db2.gz XWPDFGVEMBZVAK-YJBOKZPZSA-N 2 0 331.460 1.666 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000133766003 205377059 /nfs/dbraw/zinc/37/70/59/205377059.db2.gz KEIDOTLTJBEPFL-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)CCC2CC[NH2+]CC2)C[C@H](C)O1 ZINC000237665444 139057441 /nfs/dbraw/zinc/05/74/41/139057441.db2.gz MVDBUYIEIBTSCH-HOTGVXAUSA-N 2 0 325.497 1.772 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000111806045 220194581 /nfs/dbraw/zinc/19/45/81/220194581.db2.gz RJHQTWMGFYUSIL-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)CC[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000238015617 139066560 /nfs/dbraw/zinc/06/65/60/139066560.db2.gz YRAOUDSIYAIGHG-UHFFFAOYSA-N 2 0 339.443 1.691 20 0 EDADRP O=C(CN1CCC(NC(=O)C2CC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000238126603 139069338 /nfs/dbraw/zinc/06/93/38/139069338.db2.gz PVADUCCCUXPAKG-UHFFFAOYSA-N 2 0 344.459 1.205 20 0 EDADRP O=C(CC1CC[NH2+]CC1)NC1CC[NH+](CCc2ccncc2)CC1 ZINC000238134408 139069553 /nfs/dbraw/zinc/06/95/53/139069553.db2.gz ARIXTIFIEUNRAQ-UHFFFAOYSA-N 2 0 330.476 1.594 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])CC2)CC1 ZINC000567910435 306466335 /nfs/dbraw/zinc/46/63/35/306466335.db2.gz WRNCGAMFUSGLGN-ROUUACIJSA-N 2 0 336.524 1.380 20 0 EDADRP CC1(C)CCC[N@@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415297905 304188169 /nfs/dbraw/zinc/18/81/69/304188169.db2.gz OROAPTMBYNOXSO-UHFFFAOYSA-N 2 0 330.432 1.219 20 0 EDADRP Cc1nc(N2CCOCC2)ccc1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000415299133 304188625 /nfs/dbraw/zinc/18/86/25/304188625.db2.gz HOLBNNLFJNMOAH-ZFWWWQNUSA-N 2 0 333.436 1.476 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000248233369 139159663 /nfs/dbraw/zinc/15/96/63/139159663.db2.gz LNKUVNMRDCNTTG-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP C[NH+](CC1(C[N@@H+](C)[C@H](CO)C(C)(C)C)COC1)[C@H](CO)C(C)(C)C ZINC000248413295 139162732 /nfs/dbraw/zinc/16/27/32/139162732.db2.gz FZCILRUHQCGBQV-HZPDHXFCSA-N 2 0 344.540 1.681 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)CC1 ZINC000248649151 139170185 /nfs/dbraw/zinc/17/01/85/139170185.db2.gz UINYPSWUTZETKQ-WDSOQIARSA-N 2 0 342.487 1.638 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C[NH+](C)C)CC2)C[C@H]1C ZINC000248652976 139170277 /nfs/dbraw/zinc/17/02/77/139170277.db2.gz VMNRRHDWOVQYKM-XNIRIUNOSA-N 2 0 340.512 1.203 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)(N2CCOCC2)C1 ZINC000248885352 139179339 /nfs/dbraw/zinc/17/93/39/139179339.db2.gz LZKSNUUQOAGRRI-VYMRPNJYSA-N 2 0 325.497 1.329 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)c1 ZINC000415433290 304219299 /nfs/dbraw/zinc/21/92/99/304219299.db2.gz AKPWIFPOWDELDF-RHSMWYFYSA-N 2 0 346.475 1.663 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000252442126 139204507 /nfs/dbraw/zinc/20/45/07/139204507.db2.gz QKWXDQVDFHHMLZ-JKSUJKDBSA-N 2 0 332.448 1.906 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCOCC1 ZINC000411479909 250553429 /nfs/dbraw/zinc/55/34/29/250553429.db2.gz NHEIDUWHOJEPQN-KRWDZBQOSA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](NC(=O)COC1CC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261579986 139209202 /nfs/dbraw/zinc/20/92/02/139209202.db2.gz PUOLUCRWBQNQLD-WMZOPIPTSA-N 2 0 345.487 1.782 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cn2)CC1 ZINC000261634095 139213054 /nfs/dbraw/zinc/21/30/54/139213054.db2.gz AHOUCWVLQQLDAN-DLBZAZTESA-N 2 0 345.491 1.357 20 0 EDADRP CCCOc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261636529 139213287 /nfs/dbraw/zinc/21/32/87/139213287.db2.gz HYRWYGIVSUQLCW-KRWDZBQOSA-N 2 0 333.476 1.834 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+]2CCCC2)cc1 ZINC000261680590 139217020 /nfs/dbraw/zinc/21/70/20/139217020.db2.gz GVVYTMOMDNGOHP-SQNIBIBYSA-N 2 0 331.460 1.754 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000261664019 139215469 /nfs/dbraw/zinc/21/54/69/139215469.db2.gz KYINZRWRMPTMOT-CYBMUJFWSA-N 2 0 345.365 1.872 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000261664021 139215500 /nfs/dbraw/zinc/21/55/00/139215500.db2.gz KYINZRWRMPTMOT-ZDUSSCGKSA-N 2 0 345.365 1.872 20 0 EDADRP COc1cc(OC)c(OC)cc1C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261725706 139220874 /nfs/dbraw/zinc/22/08/74/139220874.db2.gz REPLKGMIRAEJBT-OAHLLOKOSA-N 2 0 335.448 1.192 20 0 EDADRP COc1cccc([C@@H](CNC(=O)c2ccnc(C[NH3+])c2)[NH+](C)C)c1 ZINC000261765992 139224256 /nfs/dbraw/zinc/22/42/56/139224256.db2.gz WIKHDBYKMXFETG-QGZVFWFLSA-N 2 0 328.416 1.582 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2(C[NH3+])CCOCC2)[NH+](C)C)c1 ZINC000261781263 139225564 /nfs/dbraw/zinc/22/55/64/139225564.db2.gz XXQBBFUSFOQBHL-INIZCTEOSA-N 2 0 335.448 1.170 20 0 EDADRP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000261781242 139225590 /nfs/dbraw/zinc/22/55/90/139225590.db2.gz XXHHCYJDYACABJ-WBVHZDCISA-N 2 0 333.480 1.117 20 0 EDADRP Cc1cc(N2CCN(C(=O)CC[C@@H]3CC[NH2+]C3)CC2)nc(C(C)C)n1 ZINC000261792843 139226424 /nfs/dbraw/zinc/22/64/24/139226424.db2.gz CYIFEQGPUSUYQN-MRXNPFEDSA-N 2 0 345.491 1.947 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)CC[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000261867646 139232652 /nfs/dbraw/zinc/23/26/52/139232652.db2.gz QGLITEJLAWVVMH-GOSISDBHSA-N 2 0 344.503 1.440 20 0 EDADRP COc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c(OC)c1 ZINC000261929037 139237855 /nfs/dbraw/zinc/23/78/55/139237855.db2.gz CNBYANZAJOIHGX-OAHLLOKOSA-N 2 0 335.448 1.523 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940240 139238857 /nfs/dbraw/zinc/23/88/57/139238857.db2.gz LCTRDKDFWVBYQZ-ZFWWWQNUSA-N 2 0 325.478 1.496 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CC[C@@H]21 ZINC000414966636 250903947 /nfs/dbraw/zinc/90/39/47/250903947.db2.gz OWESBVIIEBNPQD-ZBFHGGJFSA-N 2 0 330.432 1.027 20 0 EDADRP COCCCn1nccc1C[NH+]1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000415112950 250912698 /nfs/dbraw/zinc/91/26/98/250912698.db2.gz TULCKNATPBUHJR-ZWKOTPCHSA-N 2 0 336.480 1.638 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CN(C)CCO2)[NH+]2CCCC2)c1 ZINC000174425585 207017961 /nfs/dbraw/zinc/01/79/61/207017961.db2.gz GAIMXYPGHCHBJW-ZWKOTPCHSA-N 2 0 347.459 1.279 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1OC(C)C ZINC000262164988 139256616 /nfs/dbraw/zinc/25/66/16/139256616.db2.gz UCGBBRAQHDTLAV-QGZVFWFLSA-N 2 0 333.476 1.962 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000415967487 251039703 /nfs/dbraw/zinc/03/97/03/251039703.db2.gz WRKIZGWIUAJMDS-OAHLLOKOSA-N 2 0 333.480 1.949 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)Nc1ccccc1OCCN1CC[NH2+]CC1 ZINC000416029527 251048940 /nfs/dbraw/zinc/04/89/40/251048940.db2.gz OUXQGSCDRYXCDF-HNNXBMFYSA-N 2 0 349.479 1.042 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@H]1CCCCN1Cc1cccc(Cl)c1 ZINC000262214245 139260586 /nfs/dbraw/zinc/26/05/86/139260586.db2.gz FDQWUAGVDJMYPN-CVEARBPZSA-N 2 0 339.867 1.784 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000415994987 251044607 /nfs/dbraw/zinc/04/46/07/251044607.db2.gz MKVFTZUPBZEJKF-KBPBESRZSA-N 2 0 346.397 1.738 20 0 EDADRP COc1ccc(CC[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)cc1 ZINC000262247301 139263338 /nfs/dbraw/zinc/26/33/38/139263338.db2.gz PRZVVVUPRKARCP-IEBWSBKVSA-N 2 0 345.487 1.818 20 0 EDADRP C[N@H+](CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1)Cc1ccccc1 ZINC000416877879 251115332 /nfs/dbraw/zinc/11/53/32/251115332.db2.gz VEYAYHURQGMPHB-KRWDZBQOSA-N 2 0 334.464 1.186 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)N1CC[NH2+]CC1 ZINC000416877659 251115634 /nfs/dbraw/zinc/11/56/34/251115634.db2.gz BFQCYVWLRLYQOZ-UHFFFAOYSA-N 2 0 336.867 1.919 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)C1CCCC1 ZINC000417004162 251127175 /nfs/dbraw/zinc/12/71/75/251127175.db2.gz HTKHAEXAVCVOBI-GOSISDBHSA-N 2 0 330.476 1.861 20 0 EDADRP CC[NH2+]CCNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013513 251131319 /nfs/dbraw/zinc/13/13/19/251131319.db2.gz CNVXQHCLYZDRJQ-UHFFFAOYSA-N 2 0 333.480 1.107 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000417001210 251124620 /nfs/dbraw/zinc/12/46/20/251124620.db2.gz ZPHPUVONCQAEGK-KRWDZBQOSA-N 2 0 348.491 1.958 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]([NH3+])C1CC1)Cc1ccccc1 ZINC000417004021 251126486 /nfs/dbraw/zinc/12/64/86/251126486.db2.gz HPFMENJKPVOZBQ-QZTJIDSGSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000417024776 251139459 /nfs/dbraw/zinc/13/94/59/251139459.db2.gz MPIXDIISIMHBOF-JKSUJKDBSA-N 2 0 330.476 1.827 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000417222554 251148205 /nfs/dbraw/zinc/14/82/05/251148205.db2.gz QGBVBKNAHSVBDJ-YYIAUSFCSA-N 2 0 336.524 1.994 20 0 EDADRP C[C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)[NH+]1CCC(C)CC1 ZINC000417314302 251156663 /nfs/dbraw/zinc/15/66/63/251156663.db2.gz QVZHPHZYFXDPEB-QGZVFWFLSA-N 2 0 347.507 1.981 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262364906 139273435 /nfs/dbraw/zinc/27/34/35/139273435.db2.gz JCJPMXWTVCXZMQ-ZTFGCOKTSA-N 2 0 331.460 1.400 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000417551173 251186557 /nfs/dbraw/zinc/18/65/57/251186557.db2.gz YQQFHPXDJPBZDB-UHFFFAOYSA-N 2 0 338.496 1.485 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417443261 251175706 /nfs/dbraw/zinc/17/57/06/251175706.db2.gz XULMRRVHJDMFIG-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417573020 251192445 /nfs/dbraw/zinc/19/24/45/251192445.db2.gz WHPBOKSKGZBPLG-MSOLQXFVSA-N 2 0 348.491 1.877 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)C1 ZINC000417647080 251212623 /nfs/dbraw/zinc/21/26/23/251212623.db2.gz DYALWVGJSJHMJP-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP C[N@H+](Cc1ccccc1CNC(=O)CNC(=O)C[NH3+])C1CCCCC1 ZINC000262413181 139277272 /nfs/dbraw/zinc/27/72/72/139277272.db2.gz PQXQCMPYDUAHJY-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417687030 251227579 /nfs/dbraw/zinc/22/75/79/251227579.db2.gz UXOQYIXINUSQFS-HLLBOEOZSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@H](C(=O)Nc1ccccc1C(=O)NCC[NH3+])[C@@H]([NH3+])c1ccccc1 ZINC000262450622 139279966 /nfs/dbraw/zinc/27/99/66/139279966.db2.gz WGSHPCUMEOGMFB-SUMWQHHRSA-N 2 0 340.427 1.650 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CCC(OCCC[NH3+])CC2)CC1 ZINC000417751016 251254385 /nfs/dbraw/zinc/25/43/85/251254385.db2.gz OKTJGPILYYVLLJ-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000417826492 251286845 /nfs/dbraw/zinc/28/68/45/251286845.db2.gz OPMHRDNNRHVFNK-INIZCTEOSA-N 2 0 348.491 1.704 20 0 EDADRP COC[C@@]1(C(=O)Nc2cc(C[NH3+])cc(C(F)(F)F)c2)CC[NH2+]C1 ZINC000417831477 251288727 /nfs/dbraw/zinc/28/87/27/251288727.db2.gz SLINJEUDPIYWPZ-CQSZACIVSA-N 2 0 331.338 1.729 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCSC2)cc1 ZINC000417836224 251292207 /nfs/dbraw/zinc/29/22/07/251292207.db2.gz UUERAPPLCFNRKF-CXAGYDPISA-N 2 0 336.505 1.943 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000417847677 251294991 /nfs/dbraw/zinc/29/49/91/251294991.db2.gz KGFKBUSRNCCIFJ-HNNXBMFYSA-N 2 0 348.491 1.298 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417800049 251274608 /nfs/dbraw/zinc/27/46/08/251274608.db2.gz BVIAFACVPPTHES-QGZVFWFLSA-N 2 0 342.528 1.891 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417803340 251276210 /nfs/dbraw/zinc/27/62/10/251276210.db2.gz FLSRYDVEXJOWJO-QGZVFWFLSA-N 2 0 340.512 1.693 20 0 EDADRP C[C@@H](CCNC(=O)N1CCCO[C@@H](C[NH3+])C1)[N@H+](C)Cc1ccccc1 ZINC000417810903 251278279 /nfs/dbraw/zinc/27/82/79/251278279.db2.gz JAPXVUFVBYLAJW-WMZOPIPTSA-N 2 0 348.491 1.656 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417820376 251282432 /nfs/dbraw/zinc/28/24/32/251282432.db2.gz YALRGJMZLTUOOJ-MRXNPFEDSA-N 2 0 340.512 1.707 20 0 EDADRP C[N@H+](CCNC(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000417824497 251284384 /nfs/dbraw/zinc/28/43/84/251284384.db2.gz LYQOXBNFZBGSGF-OAHLLOKOSA-N 2 0 336.455 1.946 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000417992545 251319239 /nfs/dbraw/zinc/31/92/39/251319239.db2.gz WPUINTXULXFZOK-KRWDZBQOSA-N 2 0 347.507 1.101 20 0 EDADRP C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418106382 251322252 /nfs/dbraw/zinc/32/22/52/251322252.db2.gz MZQODAOQUZRBFE-NXHRZFHOSA-N 2 0 330.476 1.887 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418426819 251368206 /nfs/dbraw/zinc/36/82/06/251368206.db2.gz KIXKNTFCZPYWSP-WBVHZDCISA-N 2 0 333.480 1.012 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[C@@H]3C[NH3+])cc2)CC1 ZINC000418156081 251347223 /nfs/dbraw/zinc/34/72/23/251347223.db2.gz ACRXJQLVAOXARN-MRXNPFEDSA-N 2 0 346.475 1.792 20 0 EDADRP CSC1(CNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)CC[NH+](C)CC1 ZINC000418196738 251354644 /nfs/dbraw/zinc/35/46/44/251354644.db2.gz IEXHXGSCRMVOJA-UONOGXRCSA-N 2 0 328.526 1.440 20 0 EDADRP C[NH2+]CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418305647 251358432 /nfs/dbraw/zinc/35/84/32/251358432.db2.gz IIGHQAVKYXSOIH-WFASDCNBSA-N 2 0 326.391 1.319 20 0 EDADRP C[C@@H](NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F)[C@H](C)[NH3+] ZINC000418709836 251392148 /nfs/dbraw/zinc/39/21/48/251392148.db2.gz VEFVPZIPYBZOHY-NWDGAFQWSA-N 2 0 328.407 1.774 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000262579117 139288027 /nfs/dbraw/zinc/28/80/27/139288027.db2.gz HUBFGHQIMOSNKM-UHFFFAOYSA-N 2 0 332.492 1.491 20 0 EDADRP C[NH+]1CCC(N(Cc2ccccc2)C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000418678078 251383613 /nfs/dbraw/zinc/38/36/13/251383613.db2.gz VSNUTLBVQPRVJT-PIIMJCKOSA-N 2 0 328.460 1.510 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262629310 139291194 /nfs/dbraw/zinc/29/11/94/139291194.db2.gz DBOATRPQFGGDJS-MOPGFXCFSA-N 2 0 344.503 1.568 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262701794 139297480 /nfs/dbraw/zinc/29/74/80/139297480.db2.gz IYPONECUCXMURT-INIZCTEOSA-N 2 0 332.448 1.306 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262719700 139298858 /nfs/dbraw/zinc/29/88/58/139298858.db2.gz FKFZVGIPXAMLFM-AWEZNQCLSA-N 2 0 332.448 1.578 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)cn2)CC1 ZINC000422881951 252010612 /nfs/dbraw/zinc/01/06/12/252010612.db2.gz RIYGPDMCAUBYSH-SJLPKXTDSA-N 3 0 331.508 1.701 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000422856258 252002142 /nfs/dbraw/zinc/00/21/42/252002142.db2.gz FVBFXKYITBMUCL-ZWKOTPCHSA-N 2 0 333.476 1.910 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423351589 252049186 /nfs/dbraw/zinc/04/91/86/252049186.db2.gz ZFVTVBMFPZCBEM-WFASDCNBSA-N 2 0 342.281 1.979 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+])[N@H+](C)Cc1ccccc1 ZINC000423506941 252056516 /nfs/dbraw/zinc/05/65/16/252056516.db2.gz IZDUYJSTRMMTDQ-RCCFBDPRSA-N 2 0 333.476 1.862 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)COC1CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423780783 252070796 /nfs/dbraw/zinc/07/07/96/252070796.db2.gz WTIILWJLJHLZAB-MRXNPFEDSA-N 2 0 339.867 1.828 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H]2CCCCN2CC)CC[NH2+]CC1 ZINC000422912297 252019834 /nfs/dbraw/zinc/01/98/34/252019834.db2.gz VWJNHNPMDZUYDQ-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCNC(=O)c2ccccc2)CC[NH2+]CC1 ZINC000422911620 252020526 /nfs/dbraw/zinc/02/05/26/252020526.db2.gz LFHKFMBMNXJSRT-OAHLLOKOSA-N 2 0 347.459 1.327 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCO1 ZINC000424020993 252115888 /nfs/dbraw/zinc/11/58/88/252115888.db2.gz NCGIGVWRKOCOCV-QGZVFWFLSA-N 2 0 326.400 1.437 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1(C)C ZINC000424020881 252116051 /nfs/dbraw/zinc/11/60/51/252116051.db2.gz ADMJRKXUZLYFMG-YBKUAAOGSA-N 2 0 349.450 1.611 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(OCCC[NH+](C)C)CC2)cc1 ZINC000423838509 252086657 /nfs/dbraw/zinc/08/66/57/252086657.db2.gz KFYKDZIOIXJWMJ-SFHVURJKSA-N 2 0 333.476 1.954 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424139883 252140674 /nfs/dbraw/zinc/14/06/74/252140674.db2.gz VSOZOKDYPMFXFX-JKSUJKDBSA-N 2 0 348.495 1.587 20 0 EDADRP [NH3+][C@H](CCC(=O)NCC[N@@H+]1CCCOCC1)CC1CCCCC1 ZINC000424179237 252154667 /nfs/dbraw/zinc/15/46/67/252154667.db2.gz YMCXLKIWDDVAMO-QGZVFWFLSA-N 2 0 325.497 1.903 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)cc1 ZINC000424182467 252155756 /nfs/dbraw/zinc/15/57/56/252155756.db2.gz ZJZZBLZAQIRJML-AWEZNQCLSA-N 2 0 327.432 1.859 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000424217547 252165114 /nfs/dbraw/zinc/16/51/14/252165114.db2.gz MCTXUPMCPHVKEI-OAHLLOKOSA-N 2 0 325.497 1.581 20 0 EDADRP Cn1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424132995 252135188 /nfs/dbraw/zinc/13/51/88/252135188.db2.gz LOXICQFKRLQKCA-RBSFLKMASA-N 2 0 331.464 1.244 20 0 EDADRP COc1ccccc1CNC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300565 252192578 /nfs/dbraw/zinc/19/25/78/252192578.db2.gz WTSOYHSYXCZBRB-HNNXBMFYSA-N 2 0 331.460 1.775 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@@H](C)C1 ZINC000424333751 252198704 /nfs/dbraw/zinc/19/87/04/252198704.db2.gz WGHNDUCKJUNISI-ULQDDVLXSA-N 2 0 325.497 1.581 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000424466059 252237459 /nfs/dbraw/zinc/23/74/59/252237459.db2.gz SRMJQTVJYXKASX-IAGOWNOFSA-N 2 0 331.464 1.867 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000424439699 252231409 /nfs/dbraw/zinc/23/14/09/252231409.db2.gz OSODKHXUXPTFPK-HIFRSBDPSA-N 2 0 346.475 1.629 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424470113 252242945 /nfs/dbraw/zinc/24/29/45/252242945.db2.gz AUMPKTLDCAORAF-YTQUADARSA-N 2 0 342.487 1.902 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000178934268 207554583 /nfs/dbraw/zinc/55/45/83/207554583.db2.gz TWVHRHSIWFWSGF-PBHICJAKSA-N 2 0 338.452 1.028 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)CC1 ZINC000137460841 285010598 /nfs/dbraw/zinc/01/05/98/285010598.db2.gz PKSIBYDXMRVMRO-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000163573536 285075275 /nfs/dbraw/zinc/07/52/75/285075275.db2.gz YOMZNVGPHRYIFN-INIZCTEOSA-N 2 0 335.448 1.184 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000570147818 306531267 /nfs/dbraw/zinc/53/12/67/306531267.db2.gz UUNUSIWLRHKQTL-ROUUACIJSA-N 2 0 339.443 1.594 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000246953426 285193511 /nfs/dbraw/zinc/19/35/11/285193511.db2.gz PGIJRMKURDFMQX-QZTJIDSGSA-N 2 0 336.524 1.489 20 0 EDADRP CN(C)[C@H](CNC(=O)NCc1cn2c(n1)CCCC2)c1ccco1 ZINC000263743480 139357326 /nfs/dbraw/zinc/35/73/26/139357326.db2.gz IPDPZDBIXDHZJF-CQSZACIVSA-N 2 0 331.420 1.915 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N[C@@H]1CC2(CC[NH+](C)CC2)Oc2ccccc21 ZINC000367713191 285226265 /nfs/dbraw/zinc/22/62/65/285226265.db2.gz QRAJPXFAMKFQOD-HUUCEWRRSA-N 2 0 333.432 1.065 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H](C)OC ZINC000341089045 285244334 /nfs/dbraw/zinc/24/43/34/285244334.db2.gz QXUGVXMJCRHANK-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)c2)CC1 ZINC000487179064 255027708 /nfs/dbraw/zinc/02/77/08/255027708.db2.gz CQDFHWMKDJPVFV-QAPCUYQASA-N 2 0 330.476 1.965 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](OC(=O)N(C)C)C2)CC1 ZINC000496126277 255356091 /nfs/dbraw/zinc/35/60/91/255356091.db2.gz GDYCRXQTPJSDDK-QGZVFWFLSA-N 2 0 340.512 1.565 20 0 EDADRP O=C1O[C@@]2(CN1CN1CC[C@H](C[NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000496007083 255340594 /nfs/dbraw/zinc/34/05/94/255340594.db2.gz ACKVXMKJJNJPJK-VQIMIIECSA-N 2 0 348.491 1.278 20 0 EDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496382805 255389889 /nfs/dbraw/zinc/38/98/89/255389889.db2.gz VLDOHNRXQLKWSY-UXLLHSPISA-N 2 0 335.448 1.739 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000418408030 285314885 /nfs/dbraw/zinc/31/48/85/285314885.db2.gz MFWHXMHPJDEDRE-CVEARBPZSA-N 2 0 339.528 1.219 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+]([C@@H]3CCCCNC3=O)CC2)C[C@@H](C)O1 ZINC000119361638 221303453 /nfs/dbraw/zinc/30/34/53/221303453.db2.gz LFYJTTGMTVNMEH-JFIYKMOQSA-N 2 0 337.508 1.866 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000296036752 258012280 /nfs/dbraw/zinc/01/22/80/258012280.db2.gz ARFYJTGNZNZKAB-JKSUJKDBSA-N 2 0 349.500 1.597 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H](c1ccsc1)[NH+](C)C ZINC000264273617 139392442 /nfs/dbraw/zinc/39/24/42/139392442.db2.gz PQCQVIVKQSVFER-OAHLLOKOSA-N 2 0 342.509 1.570 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[N@H+](C)C1 ZINC000416240404 304299540 /nfs/dbraw/zinc/29/95/40/304299540.db2.gz JKVUEHRMUKTADT-BZSNNMDCSA-N 2 0 333.476 1.857 20 0 EDADRP CCn1nccc1/C=C/C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC ZINC000269931573 140020371 /nfs/dbraw/zinc/02/03/71/140020371.db2.gz AXDCVLIUYHKLMW-QZEKMECESA-N 2 0 347.507 1.791 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@]2(CO)C[C@H](C)CC(C)(C)C2)CC1 ZINC000331323745 141007443 /nfs/dbraw/zinc/00/74/43/141007443.db2.gz FTFOYJQXGBIUHF-DNVCBOLYSA-N 2 0 339.524 1.754 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333217758 141282695 /nfs/dbraw/zinc/28/26/95/141282695.db2.gz VVGFVUVQMSNHME-HNNXBMFYSA-N 2 0 331.464 1.572 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)[C@H](C)C1 ZINC000333260487 141288953 /nfs/dbraw/zinc/28/89/53/141288953.db2.gz DUISDPICGNUIGM-ZIAGYGMSSA-N 2 0 332.448 1.251 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CC[N@@H+]1C ZINC000333356090 141304716 /nfs/dbraw/zinc/30/47/16/141304716.db2.gz KICZKCHLAQRJMB-HPBDAGMYSA-N 2 0 330.476 1.853 20 0 EDADRP [NH3+]C[C@H](C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000333582456 141340407 /nfs/dbraw/zinc/34/04/07/141340407.db2.gz OBBZFFSPNHPWQJ-NXHRZFHOSA-N 2 0 333.451 1.568 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CC(=O)Nc3ccccc31)CC[NH2+]CC2 ZINC000333608618 141344228 /nfs/dbraw/zinc/34/42/28/141344228.db2.gz RPJJSQPVDWSNJQ-CQSZACIVSA-N 2 0 342.443 1.436 20 0 EDADRP C[C@H](NC(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1cccs1 ZINC000333828618 141389339 /nfs/dbraw/zinc/38/93/39/141389339.db2.gz JANCRCBUCWBPEZ-ZNMIVQPWSA-N 2 0 349.500 1.626 20 0 EDADRP C[C@H](CC1CCOCC1)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH3+] ZINC000340684256 142459600 /nfs/dbraw/zinc/45/96/00/142459600.db2.gz WRFMRKPSKKLOKI-NVXWUHKLSA-N 2 0 325.497 1.759 20 0 EDADRP C[C@@H](CNC(=O)C1(n2cccn2)CC[NH2+]CC1)C[NH+]1CCCCC1 ZINC000344463590 142971665 /nfs/dbraw/zinc/97/16/65/142971665.db2.gz WKPJEZVHLOFGGB-INIZCTEOSA-N 2 0 333.480 1.200 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000345686761 143121423 /nfs/dbraw/zinc/12/14/23/143121423.db2.gz GNRRIBRDBLPLGB-CQSZACIVSA-N 2 0 329.366 1.889 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC000345730631 143126644 /nfs/dbraw/zinc/12/66/44/143126644.db2.gz FRRDFEXMTVBEJV-QZWWFDLISA-N 2 0 340.512 1.610 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000345736980 143127174 /nfs/dbraw/zinc/12/71/74/143127174.db2.gz FPPOWQMHPQMNHB-CABCVRRESA-N 2 0 326.485 1.004 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)N[C@@H]3CCC[NH+](C)[C@H]3C)CC2)CCO1 ZINC000345780983 143132790 /nfs/dbraw/zinc/13/27/90/143132790.db2.gz MZTAUSOYJBMXHG-HLLBOEOZSA-N 2 0 338.496 1.364 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CCn2ccnc2C)CC1 ZINC000346370599 143197612 /nfs/dbraw/zinc/19/76/12/143197612.db2.gz PPRZKKZYTYJYAB-UHFFFAOYSA-N 2 0 349.523 1.752 20 0 EDADRP C[C@@H]1CCc2nc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)sc2C1 ZINC000347111483 143283921 /nfs/dbraw/zinc/28/39/21/143283921.db2.gz QOJYSBLETRNJRA-OLZOCXBDSA-N 2 0 336.505 1.555 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347117929 143284496 /nfs/dbraw/zinc/28/44/96/143284496.db2.gz XMPOOZJRMFTLGD-HNNXBMFYSA-N 2 0 345.422 1.298 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)C3C[NH2+]C3)CC2)cc1 ZINC000572832601 306600050 /nfs/dbraw/zinc/60/00/50/306600050.db2.gz MZQAUQQRPLOBTK-CQSZACIVSA-N 2 0 337.489 1.346 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000572881000 306602655 /nfs/dbraw/zinc/60/26/55/306602655.db2.gz XAPSBTPWLIZRNM-ZNMIVQPWSA-N 2 0 348.491 1.474 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000369820903 155189827 /nfs/dbraw/zinc/18/98/27/155189827.db2.gz WVNJSGRTQNYEQV-KRWDZBQOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000416843253 304350852 /nfs/dbraw/zinc/35/08/52/304350852.db2.gz OPEPYLKJPVDMOJ-SZMVWBNQSA-N 2 0 332.492 1.847 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)Cc1ccccc1 ZINC000416843810 304350985 /nfs/dbraw/zinc/35/09/85/304350985.db2.gz PIKBUWNRNRGVEF-KSZLIROESA-N 2 0 330.476 1.410 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)CC[N@@H+]1C ZINC000369851095 155203661 /nfs/dbraw/zinc/20/36/61/155203661.db2.gz IOSMZUZDWJZKQI-OAGGEKHMSA-N 2 0 343.479 1.413 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)c1ccccc1 ZINC000416848425 304351807 /nfs/dbraw/zinc/35/18/07/304351807.db2.gz WPXLSGKEZYVVDI-GOSISDBHSA-N 2 0 347.507 1.274 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000416867010 304353016 /nfs/dbraw/zinc/35/30/16/304353016.db2.gz KVVVDMFLXPORKI-CVEARBPZSA-N 2 0 328.501 1.358 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000352637262 149097097 /nfs/dbraw/zinc/09/70/97/149097097.db2.gz NIZUMEYEMCMYLJ-QGZVFWFLSA-N 2 0 340.512 1.661 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCC[C@H]2CCC[NH2+]2)C1 ZINC000418764731 286093465 /nfs/dbraw/zinc/09/34/65/286093465.db2.gz JLQAFNJYQQKLRD-IKGGRYGDSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@H](C)[C@H](C[NH3+])C2)C[C@H](C)O1 ZINC000416959848 304355192 /nfs/dbraw/zinc/35/51/92/304355192.db2.gz ZLBHXAULCYFTJK-CAOSSQGBSA-N 2 0 326.485 1.112 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H](C)O1 ZINC000416960180 304355714 /nfs/dbraw/zinc/35/57/14/304355714.db2.gz ZOWRKZBTTWBKTG-KLHDSHLOSA-N 2 0 326.485 1.302 20 0 EDADRP Cc1ccccc1-n1nccc1C[NH2+]CC1CC[NH+](CCO)CC1 ZINC000354347045 149767494 /nfs/dbraw/zinc/76/74/94/149767494.db2.gz BJDDPKIKKNBXRW-UHFFFAOYSA-N 2 0 328.460 1.975 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000416974638 304358875 /nfs/dbraw/zinc/35/88/75/304358875.db2.gz XPCGFIXTLLUHEM-GDBMZVCRSA-N 2 0 334.464 1.567 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)C1 ZINC000416976965 304359408 /nfs/dbraw/zinc/35/94/08/304359408.db2.gz ANICBZNSONDPCX-GOEBONIOSA-N 2 0 347.463 1.200 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000354902540 150021819 /nfs/dbraw/zinc/02/18/19/150021819.db2.gz OQYVDQMNQHCEFS-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000355068850 150102227 /nfs/dbraw/zinc/10/22/27/150102227.db2.gz BCYMQRMYFGSSNI-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416984197 304361471 /nfs/dbraw/zinc/36/14/71/304361471.db2.gz XWPLONLYJRXPSE-KRWDZBQOSA-N 2 0 331.464 1.569 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H](c3ccccc3)N(C)C)[C@@H]2C1 ZINC000355378107 150241624 /nfs/dbraw/zinc/24/16/24/150241624.db2.gz ZVFZMKWMEBYIQW-SQNIBIBYSA-N 2 0 331.460 1.611 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)N[C@@H]1CCC[NH2+]C1 ZINC000417032142 304362895 /nfs/dbraw/zinc/36/28/95/304362895.db2.gz XUKPSMIJATUUNM-QGZVFWFLSA-N 2 0 345.491 1.250 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417034002 304363798 /nfs/dbraw/zinc/36/37/98/304363798.db2.gz RPFYFPZKOKPCMR-OALUTQOASA-N 2 0 342.487 1.828 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000417040483 304365269 /nfs/dbraw/zinc/36/52/69/304365269.db2.gz XWHJXJIYCDMRQL-JKSUJKDBSA-N 2 0 348.491 1.710 20 0 EDADRP COC[C@]1(CNC(=O)NCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417045079 304365918 /nfs/dbraw/zinc/36/59/18/304365918.db2.gz YUXAAEFUICQXQN-XYJFISCASA-N 2 0 340.512 1.422 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000357823055 151162914 /nfs/dbraw/zinc/16/29/14/151162914.db2.gz AETMPDDGYWJYMU-KRWDZBQOSA-N 2 0 341.544 1.432 20 0 EDADRP COCC1(CNC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@H]2C)CC[NH2+]CC1 ZINC000333629902 292239573 /nfs/dbraw/zinc/23/95/73/292239573.db2.gz GKMPCWUIZHXCAD-HZPDHXFCSA-N 2 0 338.496 1.271 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000417323960 292242070 /nfs/dbraw/zinc/24/20/70/292242070.db2.gz IBJFIYNEWMURBL-CVEARBPZSA-N 2 0 340.512 1.422 20 0 EDADRP CC(=O)N1CCC([NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)CC1 ZINC000358039299 151243672 /nfs/dbraw/zinc/24/36/72/151243672.db2.gz ADAHGWBZASCLLA-UHFFFAOYSA-N 2 0 346.475 1.079 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000358291614 151327956 /nfs/dbraw/zinc/32/79/56/151327956.db2.gz TZMORXJTWQBUJB-HNNXBMFYSA-N 2 0 342.553 1.940 20 0 EDADRP COc1ccc(OC)c(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358508920 151399593 /nfs/dbraw/zinc/39/95/93/151399593.db2.gz MHULIBPGRXZCTH-UHFFFAOYSA-N 2 0 333.432 1.718 20 0 EDADRP Cc1nc2c(cnn2C)c(N2CC[NH+](CCC3CC[NH2+]CC3)CC2)n1 ZINC000359211970 151636759 /nfs/dbraw/zinc/63/67/59/151636759.db2.gz NFFGYKGIMRWBSH-UHFFFAOYSA-N 2 0 343.479 1.183 20 0 EDADRP O=C(CC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000359285059 151671109 /nfs/dbraw/zinc/67/11/09/151671109.db2.gz LMMUOHUFYNYZOP-HOTGVXAUSA-N 2 0 346.450 1.016 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)CCSC1 ZINC000360739040 152178472 /nfs/dbraw/zinc/17/84/72/152178472.db2.gz QZDJCJGUWYYIEE-WBVHZDCISA-N 2 0 340.537 1.694 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360745764 152182145 /nfs/dbraw/zinc/18/21/45/152182145.db2.gz NDJDNXYILYIISI-NVXWUHKLSA-N 2 0 342.553 1.940 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000360789563 152205899 /nfs/dbraw/zinc/20/58/99/152205899.db2.gz VOXDIKZGISYEEO-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP COC[C@@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)C(C)C ZINC000361112225 152308847 /nfs/dbraw/zinc/30/88/47/152308847.db2.gz XBGXEJQMBIHUCH-QGZVFWFLSA-N 2 0 335.496 1.639 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417149425 304377951 /nfs/dbraw/zinc/37/79/51/304377951.db2.gz ILHFVDAUJDRMHA-QGZVFWFLSA-N 2 0 347.507 1.496 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000361166887 152324967 /nfs/dbraw/zinc/32/49/67/152324967.db2.gz JDTBBVHPVQLVLP-KRWDZBQOSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)COC2 ZINC000361184906 152328447 /nfs/dbraw/zinc/32/84/47/152328447.db2.gz ZOADWPLQRCHOOY-GOEBONIOSA-N 2 0 331.460 1.955 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000417180142 304381073 /nfs/dbraw/zinc/38/10/73/304381073.db2.gz QKHVDORCQGMBKO-IKGGRYGDSA-N 2 0 334.439 1.964 20 0 EDADRP C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C(=O)Nc1ncccn1 ZINC000363708462 153035037 /nfs/dbraw/zinc/03/50/37/153035037.db2.gz SUEYGCZZJQITGS-CAOSSQGBSA-N 2 0 347.463 1.283 20 0 EDADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363717592 153038363 /nfs/dbraw/zinc/03/83/63/153038363.db2.gz HFWMYELTDNDXBC-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000363863375 153079040 /nfs/dbraw/zinc/07/90/40/153079040.db2.gz UGJLQEIYZAFAKI-BEFAXECRSA-N 2 0 342.487 1.893 20 0 EDADRP C[C@@H]1C[N@H+](CCO[C@@H]2CCCCO2)CCN1C1CC[NH+](C)CC1 ZINC000364461279 153243599 /nfs/dbraw/zinc/24/35/99/153243599.db2.gz LIMGORZYDKMUHY-SJLPKXTDSA-N 2 0 325.497 1.630 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3CC[NH+](C)[C@H]3C2)C1 ZINC000364927151 153373118 /nfs/dbraw/zinc/37/31/18/153373118.db2.gz WEMSVNFAROLBRZ-ZACQAIPSSA-N 2 0 338.496 1.079 20 0 EDADRP COC[C@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000367212004 154043301 /nfs/dbraw/zinc/04/33/01/154043301.db2.gz GWPMCBDNTHPTIF-KRWDZBQOSA-N 2 0 333.476 1.654 20 0 EDADRP C[N@H+](C[C@H]1CC12CCN(C(=O)NC1CC[NH+](C)CC1)CC2)C1CC1 ZINC000367222173 154046832 /nfs/dbraw/zinc/04/68/32/154046832.db2.gz ZIJNYKFQJSEMDP-OAHLLOKOSA-N 2 0 334.508 1.987 20 0 EDADRP Cc1ncc(CN2CC[C@H]([NH2+]CCN3CCNC3=O)[C@@H](C)C2)s1 ZINC000367321969 154077250 /nfs/dbraw/zinc/07/72/50/154077250.db2.gz LTVKTCVJSQKCEW-WFASDCNBSA-N 2 0 337.493 1.277 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000367626186 154204344 /nfs/dbraw/zinc/20/43/44/154204344.db2.gz NFICXXNBCYUXJZ-KRWDZBQOSA-N 2 0 341.459 1.868 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000367641866 154209125 /nfs/dbraw/zinc/20/91/25/154209125.db2.gz FTYUGXCTDCVHJD-MSOLQXFVSA-N 2 0 331.460 1.393 20 0 EDADRP CC1CCC([NH+]2CCC(N(C)C(=O)C[C@H]3COCC[NH2+]3)CC2)CC1 ZINC000367650457 154212126 /nfs/dbraw/zinc/21/21/26/154212126.db2.gz GESIMGFLZDYMEK-PQUAAJSLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCc2ccccc2OCC[NH+](C)C)CC1 ZINC000417356249 304394423 /nfs/dbraw/zinc/39/44/23/304394423.db2.gz FDAAKTOFRJDGEO-OAHLLOKOSA-N 2 0 348.491 1.896 20 0 EDADRP O[C@H](COCc1ccccc1)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000369656505 155121853 /nfs/dbraw/zinc/12/18/53/155121853.db2.gz KMZTVMXLPDSGMF-FYQPLNBISA-N 2 0 330.472 1.980 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000417478767 304398907 /nfs/dbraw/zinc/39/89/07/304398907.db2.gz JDMOAHOHOAVKNT-FUHWJXTLSA-N 2 0 348.491 1.944 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000074616377 292335447 /nfs/dbraw/zinc/33/54/47/292335447.db2.gz PJCYQOIOSZWBPT-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(c3ncnc4c3CN(C)CC4)C2)CC1 ZINC000371960788 156184466 /nfs/dbraw/zinc/18/44/66/156184466.db2.gz CFZMTNLKCSQPOR-INIZCTEOSA-N 2 0 344.507 1.069 20 0 EDADRP C[C@@H]1C[C@]2(C[C@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000371960252 156185227 /nfs/dbraw/zinc/18/52/27/156185227.db2.gz NXGRGMROSYQVNV-AOIWGVFYSA-N 2 0 339.524 1.924 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000417529680 304403714 /nfs/dbraw/zinc/40/37/14/304403714.db2.gz RCVUNHLDURRAGZ-UHFFFAOYSA-N 2 0 348.491 1.739 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000374460355 157298056 /nfs/dbraw/zinc/29/80/56/157298056.db2.gz GBLUTKJQLDEHNP-NXHRZFHOSA-N 2 0 331.460 1.344 20 0 EDADRP [NH3+]C1(C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CCCCC1 ZINC000374483506 157305130 /nfs/dbraw/zinc/30/51/30/157305130.db2.gz SLJOBQUSYYQARM-UHFFFAOYSA-N 2 0 330.476 1.866 20 0 EDADRP COCC[C@@]1(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC[NH2+]C1 ZINC000378200345 158106700 /nfs/dbraw/zinc/10/67/00/158106700.db2.gz BLLDVHRKSWWPKE-TVPLGVNVSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CCC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000378205079 158108914 /nfs/dbraw/zinc/10/89/14/158108914.db2.gz MIBQAMSJNXEAPH-QZTJIDSGSA-N 2 0 330.476 1.091 20 0 EDADRP CC(C)CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000378283759 158129275 /nfs/dbraw/zinc/12/92/75/158129275.db2.gz OROZMOZGXNLKKT-SJORKVTESA-N 2 0 335.492 1.824 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000417916178 304430758 /nfs/dbraw/zinc/43/07/58/304430758.db2.gz UQAMITKCWXCTJS-ZACQAIPSSA-N 2 0 340.512 1.571 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000417921358 304431265 /nfs/dbraw/zinc/43/12/65/304431265.db2.gz ZRLYOKFVRYUXTK-PMPSAXMXSA-N 2 0 326.485 1.181 20 0 EDADRP [NH3+]CC[C@@H]1CCCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000352488336 162208329 /nfs/dbraw/zinc/20/83/29/162208329.db2.gz OXUMGHAYXQSQKG-KRWDZBQOSA-N 2 0 345.491 1.324 20 0 EDADRP c1ccc(-c2noc(CC[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000352495779 162212733 /nfs/dbraw/zinc/21/27/33/162212733.db2.gz OPRCZKBRCMFCFW-MRXNPFEDSA-N 2 0 327.432 1.259 20 0 EDADRP [NH3+]CCC[N@H+](CCNS(=O)(=O)c1ccccc1)CC1CCCC1 ZINC000352503240 162216200 /nfs/dbraw/zinc/21/62/00/162216200.db2.gz DBFVMSCRVXRBKN-UHFFFAOYSA-N 2 0 339.505 1.806 20 0 EDADRP O=C(NCCCNc1ccccn1)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000365182698 162352803 /nfs/dbraw/zinc/35/28/03/162352803.db2.gz HQOCJPVIIQEYGL-LSDHHAIUSA-N 2 0 333.436 1.046 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C[NH3+])C1 ZINC000418032042 304448648 /nfs/dbraw/zinc/44/86/48/304448648.db2.gz UPGQZPXZNWDJMQ-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2CCCCCC2)[C@@H](C[NH3+])C1 ZINC000418051435 304451937 /nfs/dbraw/zinc/45/19/37/304451937.db2.gz YIWUGFFGEBZLAT-BZUAXINKSA-N 2 0 326.485 1.399 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000349526278 287089884 /nfs/dbraw/zinc/08/98/84/287089884.db2.gz QAIHISLZDWVPSY-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676539 287262828 /nfs/dbraw/zinc/26/28/28/287262828.db2.gz QSIQEVRMQSBGGA-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C(N)=O)cc2)[C@H](C)C1 ZINC000081096955 287311143 /nfs/dbraw/zinc/31/11/43/287311143.db2.gz HAIMSQPEDLRRGY-RHSMWYFYSA-N 2 0 346.475 1.776 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418336957 304482670 /nfs/dbraw/zinc/48/26/70/304482670.db2.gz IODRIHPPGMCQDB-CVEARBPZSA-N 2 0 328.501 1.374 20 0 EDADRP Cc1cc(N2CC[C@@H]([NH+]3CCC(CCC[NH+](C)C)CC3)C2=O)n(C)n1 ZINC000123497590 222286973 /nfs/dbraw/zinc/28/69/73/222286973.db2.gz KQJXCNPSIUQEAN-QGZVFWFLSA-N 2 0 347.507 1.888 20 0 EDADRP C[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000237546578 273010729 /nfs/dbraw/zinc/01/07/29/273010729.db2.gz PAODJTPUYMGRDW-YJBOKZPZSA-N 2 0 331.460 1.318 20 0 EDADRP CCc1nnc(C)cc1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000273613758 268064754 /nfs/dbraw/zinc/06/47/54/268064754.db2.gz ONHGANLEQBPDFU-UHFFFAOYSA-N 2 0 335.496 1.693 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@H]1CC[C@H](O)CC1)c1ccccc1 ZINC000275866188 268379992 /nfs/dbraw/zinc/37/99/92/268379992.db2.gz NGRGLZZDQZNZJF-BZSNNMDCSA-N 2 0 333.476 1.641 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H](C[NH3+])C(F)(F)F)c1cccc(F)c1 ZINC000655909592 452665936 /nfs/dbraw/zinc/66/59/36/452665936.db2.gz BKEHCGXXGCONLZ-NWDGAFQWSA-N 2 0 336.333 1.617 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177316023 272940558 /nfs/dbraw/zinc/94/05/58/272940558.db2.gz MTRJIDHCYJMCCD-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000280763957 273395469 /nfs/dbraw/zinc/39/54/69/273395469.db2.gz DRIXPSJHGPYACI-HNNXBMFYSA-N 2 0 331.439 1.737 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000349784489 276096738 /nfs/dbraw/zinc/09/67/38/276096738.db2.gz PZDGANHXHJFJSE-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000155995751 276099017 /nfs/dbraw/zinc/09/90/17/276099017.db2.gz HCIAZQDUYIFZIR-SJORKVTESA-N 2 0 340.512 1.395 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000264558960 276111323 /nfs/dbraw/zinc/11/13/23/276111323.db2.gz AEFXWLLFQLMQII-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCN(C)CC2)C1 ZINC000363672125 276153025 /nfs/dbraw/zinc/15/30/25/276153025.db2.gz MPXWYZFQVHJSGJ-QZTJIDSGSA-N 2 0 336.524 1.347 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000349644250 276193696 /nfs/dbraw/zinc/19/36/96/276193696.db2.gz HOQCUPPJVZWQBO-GOSISDBHSA-N 2 0 346.519 1.651 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000172753211 276830733 /nfs/dbraw/zinc/83/07/33/276830733.db2.gz LAGQIGHCGLGVKI-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)C2)CC1 ZINC000364850239 277611712 /nfs/dbraw/zinc/61/17/12/277611712.db2.gz KCAAMCFLNBLXJU-YRXWBPOGSA-N 2 0 348.535 1.534 20 0 EDADRP Cc1cnn(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000286664761 288057698 /nfs/dbraw/zinc/05/76/98/288057698.db2.gz UURSGXUOHAINSP-UHFFFAOYSA-N 2 0 328.460 1.975 20 0 EDADRP Cc1cccc([C@H](CNC(=O)N[C@@H](C)C[NH+](C)C)N2CCOCC2)c1 ZINC000287061242 288147949 /nfs/dbraw/zinc/14/79/49/288147949.db2.gz ILWSAIHUZRUNNY-WMZOPIPTSA-N 2 0 348.491 1.618 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000287080768 288151965 /nfs/dbraw/zinc/15/19/65/288151965.db2.gz KOWZZDYILMSWRL-RDJZCZTQSA-N 2 0 327.432 1.845 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)C3([NH3+])CCCC3)CC2)C[C@H](C)O1 ZINC000237605005 288156286 /nfs/dbraw/zinc/15/62/86/288156286.db2.gz HSPLCFHGTIPXGK-IYBDPMFKSA-N 2 0 337.508 1.996 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000261692030 279848155 /nfs/dbraw/zinc/84/81/55/279848155.db2.gz HPXYPMWVTIFJSM-SJORKVTESA-N 2 0 325.497 1.613 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1(C)C ZINC000188225717 279887019 /nfs/dbraw/zinc/88/70/19/279887019.db2.gz AUFZCSSZAJXTTR-FCEWJHQRSA-N 2 0 337.508 1.996 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H]1C ZINC000287349480 288215993 /nfs/dbraw/zinc/21/59/93/288215993.db2.gz MOHHOWNWPUHWEU-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]([NH3+])CC(F)F ZINC000345708530 288217501 /nfs/dbraw/zinc/21/75/01/288217501.db2.gz JHKIJTVFVITYIU-VHDGCEQUSA-N 2 0 325.403 1.996 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2oc(=O)[nH]c2c1 ZINC000287520923 288256907 /nfs/dbraw/zinc/25/69/07/288256907.db2.gz HPWZGHNTWGPVEY-UHFFFAOYSA-N 2 0 348.447 1.467 20 0 EDADRP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000287561160 288265859 /nfs/dbraw/zinc/26/58/59/288265859.db2.gz GEWVVGZGIYJVJO-MRXNPFEDSA-N 2 0 342.491 1.944 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[N@@H+](C)C2CC2)Cc2ccccc2C1 ZINC000266861130 282035290 /nfs/dbraw/zinc/03/52/90/282035290.db2.gz SDIMYZDTAQHJJN-UHFFFAOYSA-N 2 0 330.476 1.479 20 0 EDADRP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)C(C)(C)n1cncn1 ZINC000290050030 288828891 /nfs/dbraw/zinc/82/88/91/288828891.db2.gz BYZJUCSDRDNUQP-HNNXBMFYSA-N 2 0 346.479 1.917 20 0 EDADRP C[NH+](C)C1(CN[C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)Cc2ccccc2C1 ZINC000422789034 289060485 /nfs/dbraw/zinc/06/04/85/289060485.db2.gz SWJWYGKQYNCHCX-VAMGGRTRSA-N 2 0 343.515 1.832 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)Nc1ccn(CC[NH+](C)C)n1)C(C)(C)C ZINC000173922365 289179600 /nfs/dbraw/zinc/17/96/00/289179600.db2.gz KAKGAKBCSVLJRD-CQSZACIVSA-N 2 0 338.500 1.933 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000173935060 289186226 /nfs/dbraw/zinc/18/62/26/289186226.db2.gz QZIATXSAZNMQRF-MRXNPFEDSA-N 2 0 344.463 1.869 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829324 289357363 /nfs/dbraw/zinc/35/73/63/289357363.db2.gz FSLQJKOFUWFDSM-MSOLQXFVSA-N 2 0 332.492 1.848 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000343876982 297011677 /nfs/dbraw/zinc/01/16/77/297011677.db2.gz WQQSEFCLCCANKM-BRWVUGGUSA-N 2 0 327.513 1.120 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccc(F)cc1 ZINC000358866727 295241464 /nfs/dbraw/zinc/24/14/64/295241464.db2.gz RUNRHAQCZOEXHV-RHSMWYFYSA-N 2 0 335.423 1.049 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@@H](C[NH3+])OC)[NH+]2CCCC2)c1 ZINC000262768468 295314370 /nfs/dbraw/zinc/31/43/70/295314370.db2.gz HWQCCRNCRJJHLP-DLBZAZTESA-N 2 0 335.448 1.312 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@H]3C[NH+]3CCCC3)cc2C1 ZINC000333353301 295342227 /nfs/dbraw/zinc/34/22/27/295342227.db2.gz RRXRQIFLEFSIND-RDJZCZTQSA-N 2 0 343.475 1.990 20 0 EDADRP C[C@@H]1C[C@H](C)N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000422633364 297367257 /nfs/dbraw/zinc/36/72/57/297367257.db2.gz HZTPBDVZMWBVSF-UKBAYJJMSA-N 2 0 346.519 1.711 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)C1 ZINC000418630035 304521357 /nfs/dbraw/zinc/52/13/57/304521357.db2.gz DSUTZVQTIFKIGD-SJLPKXTDSA-N 2 0 330.476 1.999 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000418843762 304540126 /nfs/dbraw/zinc/54/01/26/304540126.db2.gz SLTKNQDYZZGJQH-HUUCEWRRSA-N 2 0 338.496 1.095 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000418910286 304549312 /nfs/dbraw/zinc/54/93/12/304549312.db2.gz BHCVMMVESLEWKU-DAYGRLMNSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCCCCC1 ZINC000155877883 297999240 /nfs/dbraw/zinc/99/92/40/297999240.db2.gz DEPKEVKGSXXABZ-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000419822976 304690456 /nfs/dbraw/zinc/69/04/56/304690456.db2.gz XBXWTLOSGKNHJL-IAGOWNOFSA-N 2 0 346.475 1.006 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@H](N)c2ccccc2Br)CC[NH2+]1 ZINC000662515696 453233083 /nfs/dbraw/zinc/23/30/83/453233083.db2.gz SCRSVEBMYRCYIY-ZIAGYGMSSA-N 2 0 340.265 1.905 20 0 EDADRP O[C@@H](COc1ccccc1)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420308615 304747502 /nfs/dbraw/zinc/74/75/02/304747502.db2.gz CWIICJNIJGRIGG-ZWKOTPCHSA-N 2 0 333.476 1.044 20 0 EDADRP CC[NH+]1CCN(CC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000448445006 447319755 /nfs/dbraw/zinc/31/97/55/447319755.db2.gz DHARMHCOMVNAHQ-FUHWJXTLSA-N 2 0 334.508 1.099 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000162478628 302932036 /nfs/dbraw/zinc/93/20/36/302932036.db2.gz DSSILOFSNSLXIK-HNNXBMFYSA-N 2 0 330.476 1.859 20 0 EDADRP CC(C)[NH+]1CCC(NC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000294937916 303155273 /nfs/dbraw/zinc/15/52/73/303155273.db2.gz HUYQZFSFFPTYIH-HXUWFJFHSA-N 2 0 331.504 1.868 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000295499928 303227029 /nfs/dbraw/zinc/22/70/29/303227029.db2.gz YIXBTTYGTHNBRQ-CQSZACIVSA-N 2 0 347.459 1.542 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](CO)C[NH+]2CCCCC2)c1 ZINC000296155892 303299064 /nfs/dbraw/zinc/29/90/64/303299064.db2.gz ALSKAJUFIIPCSN-QGZVFWFLSA-N 2 0 334.464 1.717 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C2CC3CC(C2)CC1C3 ZINC000333498124 303358274 /nfs/dbraw/zinc/35/82/74/303358274.db2.gz HNCHTVWDCFEWRJ-WDSZJTOSSA-N 2 0 332.492 1.676 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000297376532 303391517 /nfs/dbraw/zinc/39/15/17/303391517.db2.gz DVAAQOGITHKGNR-DOTOQJQBSA-N 2 0 327.432 1.960 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000414855788 447329468 /nfs/dbraw/zinc/32/94/68/447329468.db2.gz NQATVTZSKNOMTH-OKILXGFUSA-N 2 0 344.459 1.607 20 0 EDADRP CNC(=O)C[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000298703845 303547089 /nfs/dbraw/zinc/54/70/89/303547089.db2.gz QVVPLCABDRQNMX-QGZVFWFLSA-N 2 0 332.492 1.703 20 0 EDADRP c1ccc(COc2ccccc2C[NH2+]CCN2CC[NH2+]CC2)nc1 ZINC000414865775 447334497 /nfs/dbraw/zinc/33/44/97/447334497.db2.gz MBCSATAFLBKTDT-UHFFFAOYSA-N 2 0 326.444 1.655 20 0 EDADRP COc1cc(Br)c(C[NH2+]CCN2CC[NH2+]CC2)cc1O ZINC000414862274 447333784 /nfs/dbraw/zinc/33/37/84/447333784.db2.gz HGWLFPOMLAOHBO-UHFFFAOYSA-N 2 0 344.253 1.158 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCNc2cccc(C)n2)CC[NH2+]CC1 ZINC000422921532 304880351 /nfs/dbraw/zinc/88/03/51/304880351.db2.gz QHXIRDIGYAJKEV-OAHLLOKOSA-N 2 0 334.464 1.713 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)CC[NH2+]CC1 ZINC000423018667 304883119 /nfs/dbraw/zinc/88/31/19/304883119.db2.gz RRDITKZGMPIWDZ-CAOSSQGBSA-N 2 0 336.476 1.855 20 0 EDADRP CN(C)S(=O)(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000423148260 304888675 /nfs/dbraw/zinc/88/86/75/304888675.db2.gz FOXCDIYMDAEERJ-GDBMZVCRSA-N 2 0 325.478 1.544 20 0 EDADRP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423329663 304892465 /nfs/dbraw/zinc/89/24/65/304892465.db2.gz NAFXJAJXQOVARC-CQSZACIVSA-N 2 0 339.505 1.977 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC[NH2+]CC1 ZINC000423417474 304895196 /nfs/dbraw/zinc/89/51/96/304895196.db2.gz FODATIAWSQBZGI-JYJNAYRXSA-N 3 0 325.497 1.663 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000423426850 304895800 /nfs/dbraw/zinc/89/58/00/304895800.db2.gz IEHOOXJRIKYUPB-INIZCTEOSA-N 2 0 340.512 1.153 20 0 EDADRP Nc1ccoc1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018533 304925495 /nfs/dbraw/zinc/92/54/95/304925495.db2.gz JOZXOCOBJOTWIG-UHFFFAOYSA-N 2 0 328.416 1.585 20 0 EDADRP COCCC1(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000424019049 304925519 /nfs/dbraw/zinc/92/55/19/304925519.db2.gz KRBHMWGYHHEGOB-UHFFFAOYSA-N 2 0 345.487 1.913 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC12CC2 ZINC000425437118 304964101 /nfs/dbraw/zinc/96/41/01/304964101.db2.gz ZCNQMVUBSCEFSI-INIZCTEOSA-N 2 0 329.448 1.445 20 0 EDADRP COc1ccccc1CCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430581933 305057023 /nfs/dbraw/zinc/05/70/23/305057023.db2.gz IVJMRULOVWRMRK-UHFFFAOYSA-N 2 0 349.475 1.184 20 0 EDADRP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1C ZINC000430614466 305059250 /nfs/dbraw/zinc/05/92/50/305059250.db2.gz ZIAAETLBORIDJB-CVEARBPZSA-N 2 0 346.475 1.417 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[NH+]2CCC(C[NH3+])CC2)cc1Cl ZINC000430652507 305061375 /nfs/dbraw/zinc/06/13/75/305061375.db2.gz NDCHLZQEDIKFKK-UHFFFAOYSA-N 2 0 338.839 1.438 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000430652884 305061390 /nfs/dbraw/zinc/06/13/90/305061390.db2.gz XXHDAEHXWBWVHF-FGTMMUONSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)(C[NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430703120 305062865 /nfs/dbraw/zinc/06/28/65/305062865.db2.gz DHSFILPEBUTYMF-UHFFFAOYSA-N 2 0 332.448 1.436 20 0 EDADRP CC[C@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000430759759 305064093 /nfs/dbraw/zinc/06/40/93/305064093.db2.gz FWOGEHSPYVPDER-MOPGFXCFSA-N 2 0 345.487 1.708 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)CC1 ZINC000430779137 305064817 /nfs/dbraw/zinc/06/48/17/305064817.db2.gz YXSHCRHJAVBRCG-UHFFFAOYSA-N 2 0 347.463 1.826 20 0 EDADRP [NH3+]C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C1 ZINC000430935419 305069334 /nfs/dbraw/zinc/06/93/34/305069334.db2.gz SUXPTBCYDXPLGV-CQSZACIVSA-N 2 0 330.432 1.423 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCCN(C)c2ccccc2)CC1 ZINC000430966235 305071528 /nfs/dbraw/zinc/07/15/28/305071528.db2.gz OFEMRDDSALTBTN-INIZCTEOSA-N 2 0 332.492 1.688 20 0 EDADRP CNC(=O)c1cccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431034243 305073409 /nfs/dbraw/zinc/07/34/09/305073409.db2.gz UUJIIBZBBVPKPW-CQSZACIVSA-N 2 0 344.459 1.449 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431070662 305074242 /nfs/dbraw/zinc/07/42/42/305074242.db2.gz LUNKIHCBWKLEFP-CYBMUJFWSA-N 3 0 325.457 1.196 20 0 EDADRP CCOC(=O)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H](C)CC ZINC000433117105 305100814 /nfs/dbraw/zinc/10/08/14/305100814.db2.gz MOWACHZWZOVBFY-BBRMVZONSA-N 2 0 327.469 1.284 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433127766 305101236 /nfs/dbraw/zinc/10/12/36/305101236.db2.gz UIFMTGWVLLIPHA-BRWVUGGUSA-N 3 0 338.540 1.672 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433380838 305106940 /nfs/dbraw/zinc/10/69/40/305106940.db2.gz FVABQYDWELBZSF-FZKCQIBNSA-N 2 0 348.495 1.299 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385178 305107155 /nfs/dbraw/zinc/10/71/55/305107155.db2.gz XWQRAPYSPPCXDK-KFWWJZLASA-N 2 0 334.468 1.195 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)C[C@@H]1C ZINC000433402269 305108028 /nfs/dbraw/zinc/10/80/28/305108028.db2.gz WTZYNFIOBTVLGA-HRCADAONSA-N 2 0 333.480 1.752 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000433919118 305114546 /nfs/dbraw/zinc/11/45/46/305114546.db2.gz KLPNICSRJXOVMC-WBVHZDCISA-N 2 0 340.537 1.740 20 0 EDADRP [NH3+]C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc2ccccc2c1 ZINC000434668625 305126929 /nfs/dbraw/zinc/12/69/29/305126929.db2.gz BMVCIHGQQOWECZ-ROUUACIJSA-N 2 0 327.428 1.724 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)C[N@@H+]1C1CC1 ZINC000438891493 305190822 /nfs/dbraw/zinc/19/08/22/305190822.db2.gz UCMADLYCAGOARO-MRRJBJDNSA-N 2 0 326.444 1.779 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CCCO2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000439290825 305196036 /nfs/dbraw/zinc/19/60/36/305196036.db2.gz CIEVCBWQBCBHOK-GOSISDBHSA-N 2 0 335.492 1.620 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441338826 305221269 /nfs/dbraw/zinc/22/12/69/305221269.db2.gz XRBWTLSMYAHNSP-UHFFFAOYSA-N 3 0 342.491 1.691 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000442135132 305225834 /nfs/dbraw/zinc/22/58/34/305225834.db2.gz TWDMXMUNJISYJP-CZUORRHYSA-N 2 0 332.448 1.286 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414899609 447349129 /nfs/dbraw/zinc/34/91/29/447349129.db2.gz CPKWCKBNSGBERD-INIZCTEOSA-N 2 0 344.459 1.274 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000449315963 305311353 /nfs/dbraw/zinc/31/13/53/305311353.db2.gz KVBNAOLHJVNGKJ-AZUAARDMSA-N 2 0 345.487 1.391 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H](C)O1 ZINC000449331501 305311663 /nfs/dbraw/zinc/31/16/63/305311663.db2.gz ZFRHOYAISKLMHK-WCXIOVBPSA-N 2 0 325.497 1.900 20 0 EDADRP CCC1([NH2+]CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000451270638 305335613 /nfs/dbraw/zinc/33/56/13/305335613.db2.gz CHDANZOSYSKGOO-MRXNPFEDSA-N 2 0 325.497 1.772 20 0 EDADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451771906 305368388 /nfs/dbraw/zinc/36/83/88/305368388.db2.gz JDIRIZBEOUVQMP-CVEARBPZSA-N 2 0 337.464 1.051 20 0 EDADRP CC1(C)COC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000451808238 305370405 /nfs/dbraw/zinc/37/04/05/305370405.db2.gz IWWFVZBYHOLONR-SFHVURJKSA-N 2 0 345.487 1.913 20 0 EDADRP C[C@H]1C[N@H+](CCO)CCN1C[C@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000452136954 305385012 /nfs/dbraw/zinc/38/50/12/305385012.db2.gz ZGVBVAQJSWECMS-AZUAARDMSA-N 2 0 347.503 1.276 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000457994265 305498288 /nfs/dbraw/zinc/49/82/88/305498288.db2.gz WDEQCHAIYRDPHU-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CCN(C(C)=O)c1nc(CN(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000515557544 305724495 /nfs/dbraw/zinc/72/44/95/305724495.db2.gz XYOPEUHBAHSOIJ-UHFFFAOYSA-N 2 0 341.525 1.441 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)CC[NH+](C)CC1 ZINC000517719997 305755462 /nfs/dbraw/zinc/75/54/62/305755462.db2.gz QTWOVJIERARHHJ-IHRRRGAJSA-N 2 0 326.510 1.193 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)C1 ZINC000518497239 305761989 /nfs/dbraw/zinc/76/19/89/305761989.db2.gz DOXJQQYYWBFHJH-WBVHZDCISA-N 2 0 346.475 1.835 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1CC(C)C ZINC000419705471 447361759 /nfs/dbraw/zinc/36/17/59/447361759.db2.gz ZTQVYEMNFREITR-JKSUJKDBSA-N 2 0 340.512 1.103 20 0 EDADRP CC(C)C[C@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000538644128 306031137 /nfs/dbraw/zinc/03/11/37/306031137.db2.gz RPHSFZWKRZOMCI-IRXDYDNUSA-N 2 0 342.528 1.715 20 0 EDADRP Cc1ncc(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[nH]1 ZINC000542013795 306050636 /nfs/dbraw/zinc/05/06/36/306050636.db2.gz QIANQAOFNFRRGQ-MRXNPFEDSA-N 2 0 328.416 1.605 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]CCC(=O)NC(N)=O)cc1 ZINC000548832280 306139548 /nfs/dbraw/zinc/13/95/48/306139548.db2.gz XZEDCVCTUNFICM-AWEZNQCLSA-N 2 0 332.448 1.736 20 0 EDADRP CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000554855074 306198851 /nfs/dbraw/zinc/19/88/51/306198851.db2.gz JEZDJFSRESMHEW-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000557099815 306223871 /nfs/dbraw/zinc/22/38/71/306223871.db2.gz FGVPAUBQYDLKPN-CRAIPNDOSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CCSC1 ZINC000660826635 453589984 /nfs/dbraw/zinc/58/99/84/453589984.db2.gz QJNYZZYTMMHSFD-XJKSGUPXSA-N 2 0 328.526 1.596 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000422146295 447372542 /nfs/dbraw/zinc/37/25/42/447372542.db2.gz URGJHHPETRRKKW-QZTJIDSGSA-N 2 0 330.476 1.997 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000419735364 447381889 /nfs/dbraw/zinc/38/18/89/447381889.db2.gz QAXGUQOYIYTJNI-QGZVFWFLSA-N 2 0 348.491 1.384 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N(CCC[NH3+])Cc2ccccc2)n1 ZINC000415222534 447400749 /nfs/dbraw/zinc/40/07/49/447400749.db2.gz WUMRISKPEQFOMK-UHFFFAOYSA-N 2 0 344.463 1.828 20 0 EDADRP C[N@H+](C[C@@H](O)c1ccc(F)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378433618 447427737 /nfs/dbraw/zinc/42/77/37/447427737.db2.gz STJHJKPAAHTNMT-RTBURBONSA-N 2 0 335.467 1.959 20 0 EDADRP CN1C(=O)N[C@]2(CCC[C@H]2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)C1=O ZINC000378478566 447433543 /nfs/dbraw/zinc/43/35/43/447433543.db2.gz XFPWHUBSLKYKGC-UGSOOPFHSA-N 2 0 336.480 1.559 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000046382205 441105117 /nfs/dbraw/zinc/10/51/17/441105117.db2.gz UONXQTSEKIZEJS-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP Cc1c(Cl)cccc1S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000104102225 441190502 /nfs/dbraw/zinc/19/05/02/441190502.db2.gz DXJFVLIERLBJMT-UHFFFAOYSA-N 2 0 347.912 1.762 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105112006 441234957 /nfs/dbraw/zinc/23/49/57/441234957.db2.gz AWLYXHQKUBDBFR-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000072085638 441205529 /nfs/dbraw/zinc/20/55/29/441205529.db2.gz ZHQPVLMYENSVNX-IYBDPMFKSA-N 2 0 325.497 1.676 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NCCCC[NH+]2CCOCC2)o1 ZINC000048287313 441286413 /nfs/dbraw/zinc/28/64/13/441286413.db2.gz FLZKFODEIKPNBJ-UHFFFAOYSA-N 2 0 337.464 1.964 20 0 EDADRP C[C@H](CC(=O)OC(C)(C)C)[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378527258 447439370 /nfs/dbraw/zinc/43/93/70/447439370.db2.gz ULZBOVPUJXLQRY-HUUCEWRRSA-N 2 0 325.497 1.865 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000081724669 441304971 /nfs/dbraw/zinc/30/49/71/441304971.db2.gz KQXQBHVQEXIZKX-ZWKOTPCHSA-N 3 0 338.540 1.593 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000073377943 441313574 /nfs/dbraw/zinc/31/35/74/441313574.db2.gz CSJIVVBXDBOGCM-UHFFFAOYSA-N 2 0 344.503 1.753 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000074098034 441391926 /nfs/dbraw/zinc/39/19/26/441391926.db2.gz CMTXCRGSHAPGLF-SJORKVTESA-N 2 0 338.496 1.271 20 0 EDADRP CO[C@@]1(C)C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000074943055 441481957 /nfs/dbraw/zinc/48/19/57/441481957.db2.gz CGHDVNYNOAJCGI-YOEHRIQHSA-N 2 0 328.501 1.325 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2c1cccc2O ZINC000074712074 441460038 /nfs/dbraw/zinc/46/00/38/441460038.db2.gz LFXCHXNHIXIIQR-INIZCTEOSA-N 2 0 334.464 1.514 20 0 EDADRP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000113349162 441602305 /nfs/dbraw/zinc/60/23/05/441602305.db2.gz JDKADKLWKRQPMP-CQSZACIVSA-N 2 0 328.478 1.540 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000077004841 441711632 /nfs/dbraw/zinc/71/16/32/441711632.db2.gz PLNIWQCBTBQDON-KRWDZBQOSA-N 2 0 346.475 1.079 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCCC[C@@H]([NH+]2CCN(C)CC2)C1 ZINC000091848469 441747582 /nfs/dbraw/zinc/74/75/82/441747582.db2.gz CDZOYYMQVSIJAV-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000158993906 441778637 /nfs/dbraw/zinc/77/86/37/441778637.db2.gz BUTIHEONLTVFFP-HXUWFJFHSA-N 2 0 346.519 1.728 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000077593415 441811275 /nfs/dbraw/zinc/81/12/75/441811275.db2.gz YARFJHHFMXRIPA-CABCVRRESA-N 2 0 338.496 1.269 20 0 EDADRP CCc1nc([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000077826579 441871343 /nfs/dbraw/zinc/87/13/43/441871343.db2.gz YRHPEOIWVNORKX-ZDUSSCGKSA-N 2 0 341.525 1.901 20 0 EDADRP CC(=O)Nc1ccc(NC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000139815382 441827199 /nfs/dbraw/zinc/82/71/99/441827199.db2.gz LEAAMGGDEFZTHZ-CRAIPNDOSA-N 2 0 344.459 2.000 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@](C)(O)C[NH+](C)C)[NH+](C)C)cc1 ZINC000123916762 441903353 /nfs/dbraw/zinc/90/33/53/441903353.db2.gz APGAQCJKBRQJKZ-WMZOPIPTSA-N 2 0 336.480 1.210 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnn(-c2ccccc2)c1 ZINC000174716867 441957957 /nfs/dbraw/zinc/95/79/57/441957957.db2.gz PRCMIBOQQRVEBR-UHFFFAOYSA-N 2 0 327.476 1.942 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000175606613 442093155 /nfs/dbraw/zinc/09/31/55/442093155.db2.gz FXRPVIXEQKBBAC-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@@H](C)CN1CCOCC1 ZINC000175790250 442122210 /nfs/dbraw/zinc/12/22/10/442122210.db2.gz PNKFAIYHOVJAGI-HOCLYGCPSA-N 2 0 335.452 1.086 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000151816792 442124663 /nfs/dbraw/zinc/12/46/63/442124663.db2.gz FGOHKQKZIXQDGD-UHFFFAOYSA-N 2 0 345.531 1.987 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000151821099 442125473 /nfs/dbraw/zinc/12/54/73/442125473.db2.gz JCPUUUCZEWMJSJ-KRWDZBQOSA-N 3 0 349.519 1.982 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000175805519 442125820 /nfs/dbraw/zinc/12/58/20/442125820.db2.gz ZIVNXNJRXNLQLE-CVEARBPZSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C)C1CC1 ZINC000176085629 442173705 /nfs/dbraw/zinc/17/37/05/442173705.db2.gz DJJUUUJCCIRNMD-UHFFFAOYSA-N 2 0 346.475 1.596 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(OCC(=O)N(C)C)c1 ZINC000163795391 442182886 /nfs/dbraw/zinc/18/28/86/442182886.db2.gz OXFPZUSAHNKVNK-VKJFTORMSA-N 2 0 333.476 1.972 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCCn2ccnc2C)c1 ZINC000165634149 442209793 /nfs/dbraw/zinc/20/97/93/442209793.db2.gz UZLRUSYXUFKNMZ-CYBMUJFWSA-N 2 0 336.461 1.841 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(Br)cc1)C(=O)C[NH+](C)C ZINC000170757250 442258228 /nfs/dbraw/zinc/25/82/28/442258228.db2.gz IYZBIUSRGFQMGM-UHFFFAOYSA-N 2 0 342.281 1.901 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000171528240 442354778 /nfs/dbraw/zinc/35/47/78/442354778.db2.gz DJSAEEUFYZUVND-MRXNPFEDSA-N 2 0 348.466 1.866 20 0 EDADRP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129244257 442307761 /nfs/dbraw/zinc/30/77/61/442307761.db2.gz DTMCUBLHLMFPIW-RCCFBDPRSA-N 2 0 337.508 1.678 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[C@H](C[NH+](C)C)C2)[NH+](C)C)c1 ZINC000129322567 442311125 /nfs/dbraw/zinc/31/11/25/442311125.db2.gz XZUQVCOAPPBXNZ-CRAIPNDOSA-N 2 0 348.491 1.891 20 0 EDADRP CC(C)Cn1ccnc1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000155205311 442381863 /nfs/dbraw/zinc/38/18/63/442381863.db2.gz WPLJRBALVGTZOA-UHFFFAOYSA-N 2 0 345.447 1.805 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000178013316 442401858 /nfs/dbraw/zinc/40/18/58/442401858.db2.gz BNZIWUCAYPEUBS-DLBZAZTESA-N 2 0 346.475 1.676 20 0 EDADRP Cc1nccn1CCC[N@@H+](C)CC(=O)NC[C@H]1Cc2ccccc2O1 ZINC000130863849 442358580 /nfs/dbraw/zinc/35/85/80/442358580.db2.gz XDDHUOCWPDKGTA-QGZVFWFLSA-N 2 0 342.443 1.633 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000178214519 442415950 /nfs/dbraw/zinc/41/59/50/442415950.db2.gz DXCRVQGOZSZNOT-DLBZAZTESA-N 2 0 336.524 1.393 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCCC[NH2+]2)CC1 ZINC000178873909 442510356 /nfs/dbraw/zinc/51/03/56/442510356.db2.gz ADFOEZVYSOMOCE-IBGZPJMESA-N 2 0 344.503 1.582 20 0 EDADRP COc1cc(CN2CC[NH+](CC3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000178982358 442543593 /nfs/dbraw/zinc/54/35/93/442543593.db2.gz NIIZCVSOQSKDAF-UHFFFAOYSA-N 2 0 333.476 1.821 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@]1(F)CC[NH2+]C1 ZINC000178879225 442512234 /nfs/dbraw/zinc/51/22/34/442512234.db2.gz GJBCLSUXJUIVNP-IBGZPJMESA-N 2 0 346.450 1.859 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000178892058 442516895 /nfs/dbraw/zinc/51/68/95/442516895.db2.gz NIGXWBSJTNHGFZ-HNNXBMFYSA-N 2 0 346.475 1.918 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CC[NH+](CCCOC)CC2)C1 ZINC000173179129 442618073 /nfs/dbraw/zinc/61/80/73/442618073.db2.gz DCEMXYHYRVISPL-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000186919981 442629973 /nfs/dbraw/zinc/62/99/73/442629973.db2.gz YQODDSLVURRAOR-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP Cn1c2ccc(C[NH2+]CCN3CCC([NH+](C)C)CC3)cc2sc1=O ZINC000192685343 442677082 /nfs/dbraw/zinc/67/70/82/442677082.db2.gz MQFIDRMAXFBLFO-UHFFFAOYSA-N 2 0 348.516 1.716 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000192839929 442691744 /nfs/dbraw/zinc/69/17/44/442691744.db2.gz WWJGXJSCPKEROE-GOSISDBHSA-N 2 0 340.556 1.180 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)N2CC[C@H](C)[N@H+](Cc3ccccc3)CC2)C1 ZINC000187973905 442701433 /nfs/dbraw/zinc/70/14/33/442701433.db2.gz AZIAWYXMOUKWBR-RYQLBKOJSA-N 2 0 331.460 1.486 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCO2)[NH+]2CCCCC2)cc1 ZINC000188028271 442703819 /nfs/dbraw/zinc/70/38/19/442703819.db2.gz QSGDIOVFZDUAGY-QZTJIDSGSA-N 2 0 347.459 1.327 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NC2CC[NH+](CC(C)C)CC2)C1(C)C ZINC000188052918 442705785 /nfs/dbraw/zinc/70/57/85/442705785.db2.gz SCYXFZQKZAIIDR-MAUKXSAKSA-N 2 0 325.497 1.756 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1 ZINC000182167522 442741855 /nfs/dbraw/zinc/74/18/55/442741855.db2.gz LMJGNIKASNQTDP-RHSMWYFYSA-N 2 0 333.480 1.165 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)c3coc(C[NH3+])c3)CC2)C[C@H](C)O1 ZINC000188135344 442715192 /nfs/dbraw/zinc/71/51/92/442715192.db2.gz SIKYQXBZPOOZCJ-OKILXGFUSA-N 2 0 335.448 1.700 20 0 EDADRP C[C@@H]1CN(C(=O)CN(C)Cc2ccccc2)CC[N@@H+]1CC(C)(C)O ZINC000188715993 442795865 /nfs/dbraw/zinc/79/58/65/442795865.db2.gz ZWUDCYWWKIGXAV-MRXNPFEDSA-N 2 0 333.476 1.422 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182631761 442798304 /nfs/dbraw/zinc/79/83/04/442798304.db2.gz IMRQTNXSDRKLIV-CVEARBPZSA-N 2 0 327.513 1.970 20 0 EDADRP C[NH+](CC1CCOCC1)CC1(C[N@H+](C)CC2CCOCC2)COC1 ZINC000182394567 442763331 /nfs/dbraw/zinc/76/33/31/442763331.db2.gz HVIVXHHSIMXAJX-UHFFFAOYSA-N 2 0 340.508 1.720 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000265437394 442772511 /nfs/dbraw/zinc/77/25/11/442772511.db2.gz XPTRZGYTRJMVLU-SFHVURJKSA-N 2 0 346.519 1.651 20 0 EDADRP C[C@@H](NC(=O)c1[nH]nc2c1C[NH2+]CC2)c1cccc(-n2ccnc2)c1 ZINC000188791950 442814191 /nfs/dbraw/zinc/81/41/91/442814191.db2.gz MPKCGAPEVXAJAQ-GFCCVEGCSA-N 2 0 336.399 1.732 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246904372 442820507 /nfs/dbraw/zinc/82/05/07/442820507.db2.gz FUOKNWWUIRVYOR-IAGOWNOFSA-N 2 0 338.496 1.082 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000247188488 442839697 /nfs/dbraw/zinc/83/96/97/442839697.db2.gz PZGTVJFOQIGPRH-BZUAXINKSA-N 2 0 326.485 1.127 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000265604899 442842674 /nfs/dbraw/zinc/84/26/74/442842674.db2.gz MQJKFHSGMSCXNX-WMZOPIPTSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NCC1CC[NH+](CCO)CC1 ZINC000247221935 442841596 /nfs/dbraw/zinc/84/15/96/442841596.db2.gz BXPALNLFGPUWED-CVEARBPZSA-N 2 0 340.512 1.110 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189006951 442859937 /nfs/dbraw/zinc/85/99/37/442859937.db2.gz GVNONDMOQZNLCT-CJNGLKHVSA-N 2 0 325.403 1.868 20 0 EDADRP C[C@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H]1[NH+](C)C ZINC000268141581 442866337 /nfs/dbraw/zinc/86/63/37/442866337.db2.gz FSWICVGDSSOLIQ-LRDDRELGSA-N 2 0 347.463 1.261 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cncc(Cl)n1 ZINC000189424070 442949707 /nfs/dbraw/zinc/94/97/07/442949707.db2.gz ZEYQIEAIBLMYNA-UHFFFAOYSA-N 2 0 327.860 1.476 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)Cn1cccn1 ZINC000189953540 443036268 /nfs/dbraw/zinc/03/62/68/443036268.db2.gz VFJFVRQRHJEMOQ-LNLFQRSKSA-N 2 0 342.487 1.990 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1CO ZINC000190341442 443087258 /nfs/dbraw/zinc/08/72/58/443087258.db2.gz FRRFGAYDZCXXHU-VQIMIIECSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1c(C(=O)NC2CC[NH+](CC(C)C)CC2)nnn1C1CC[NH2+]CC1 ZINC000236790740 443148122 /nfs/dbraw/zinc/14/81/22/443148122.db2.gz TWGYSMBEHPLBDT-UHFFFAOYSA-N 2 0 348.495 1.361 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H](C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000236724587 443145301 /nfs/dbraw/zinc/14/53/01/443145301.db2.gz OFTIDTVOLFRCHV-CVEARBPZSA-N 2 0 341.496 1.680 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC2(CC[NH2+]C2)CC1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000261731517 443166409 /nfs/dbraw/zinc/16/64/09/443166409.db2.gz HSGKGKZFQGLUEG-BBWFWOEESA-N 2 0 337.508 1.722 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@H]([NH3+])C2CCOCC2)C1 ZINC000261767097 443169038 /nfs/dbraw/zinc/16/90/38/443169038.db2.gz FNOHOKVWEDUGPA-BFYDXBDKSA-N 2 0 325.497 1.615 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261767111 443169182 /nfs/dbraw/zinc/16/91/82/443169182.db2.gz FNOHOKVWEDUGPA-INMHGKMJSA-N 2 0 325.497 1.615 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CCC(C[NH3+])CC3)cc2)CC1 ZINC000236992298 443154925 /nfs/dbraw/zinc/15/49/25/443154925.db2.gz IGBDZJJILZLKQF-UHFFFAOYSA-N 2 0 330.476 1.639 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1CCCOC1 ZINC000245663088 443242938 /nfs/dbraw/zinc/24/29/38/443242938.db2.gz DJOCBPLOAOVPIZ-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1C[C@@H](C)[N@H+](CCOc2ccc(S(N)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000397343532 319134304 /nfs/dbraw/zinc/13/43/04/319134304.db2.gz WWVHTROXBLLFPI-MCIONIFRSA-N 2 0 341.477 1.018 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000266812828 443252514 /nfs/dbraw/zinc/25/25/14/443252514.db2.gz HYSQIDSZHBPRSA-LJQANCHMSA-N 2 0 342.487 1.505 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414659736 319337633 /nfs/dbraw/zinc/33/76/33/319337633.db2.gz LQAOBQPVHBUQRC-AWEZNQCLSA-N 2 0 332.448 1.465 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCC[C@H](C)C1 ZINC000414692280 319343526 /nfs/dbraw/zinc/34/35/26/319343526.db2.gz APZFFHUQIBOKSI-UONOGXRCSA-N 2 0 344.459 1.465 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1 ZINC000414777485 319343860 /nfs/dbraw/zinc/34/38/60/319343860.db2.gz DFOYMSYGYQULAO-HNNXBMFYSA-N 2 0 346.475 1.581 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+]Cc2ccc(Br)cc2)C1 ZINC000415082993 319345787 /nfs/dbraw/zinc/34/57/87/319345787.db2.gz MOHCUABLJDSSLU-ZDUSSCGKSA-N 2 0 340.265 1.736 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000415130239 319347312 /nfs/dbraw/zinc/34/73/12/319347312.db2.gz WMWQWLUIAKNUJJ-CQSZACIVSA-N 2 0 332.448 1.287 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415217660 319352476 /nfs/dbraw/zinc/35/24/76/319352476.db2.gz UIJDMGJJMMAHEU-BBRMVZONSA-N 2 0 332.448 1.635 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000415222700 319353515 /nfs/dbraw/zinc/35/35/15/319353515.db2.gz FOJYRILEJCLYON-HOCLYGCPSA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H](C)N(C)[C@@H](C)C2)c1 ZINC000415242939 319355921 /nfs/dbraw/zinc/35/59/21/319355921.db2.gz JKMHCXSJDHQBFM-OKILXGFUSA-N 2 0 332.448 1.286 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415308452 319360904 /nfs/dbraw/zinc/36/09/04/319360904.db2.gz PNCYNQXPUUEWJR-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415793185 319370500 /nfs/dbraw/zinc/37/05/00/319370500.db2.gz UUMREIQTQBEJHR-OAHLLOKOSA-N 2 0 332.448 1.117 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415852999 319377989 /nfs/dbraw/zinc/37/79/89/319377989.db2.gz SFCLDTWJJICXTP-CJNGLKHVSA-N 2 0 346.475 1.438 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000415996184 319388364 /nfs/dbraw/zinc/38/83/64/319388364.db2.gz OMPVPDUECBEMEB-UONOGXRCSA-N 2 0 344.381 1.840 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000185881112 443274996 /nfs/dbraw/zinc/27/49/96/443274996.db2.gz FAZINXMLMYOQJN-QGZVFWFLSA-N 2 0 327.476 1.988 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246231231 443281360 /nfs/dbraw/zinc/28/13/60/443281360.db2.gz FDOVOUDNOXGUNE-SZMVWBNQSA-N 2 0 337.508 1.722 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000416807589 319462025 /nfs/dbraw/zinc/46/20/25/319462025.db2.gz HGYZRVAQAHXTLN-GJZGRUSLSA-N 2 0 336.436 1.094 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CCOC)C2)cc1 ZINC000264509703 443311597 /nfs/dbraw/zinc/31/15/97/443311597.db2.gz LGXUERZXBSAOPD-SFHVURJKSA-N 2 0 333.476 1.979 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000416948761 319483199 /nfs/dbraw/zinc/48/31/99/319483199.db2.gz PYGIXWYXYADKBK-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N(C)[C@@H](C)C[NH3+])CC2)cc1 ZINC000417328066 319491636 /nfs/dbraw/zinc/49/16/36/319491636.db2.gz HXRAUHRGOJHZJH-HNNXBMFYSA-N 2 0 348.491 1.896 20 0 EDADRP CN(c1ccccc1C[NH2+]CC1(CO)COC1)C1CC[NH+](C)CC1 ZINC000269525961 443337154 /nfs/dbraw/zinc/33/71/54/443337154.db2.gz ZDWZJQCIKGZVJE-UHFFFAOYSA-N 2 0 333.476 1.316 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@H](O)C[N@@H+]2CCc3ccccc3C2)CC1 ZINC000269581531 443354636 /nfs/dbraw/zinc/35/46/36/443354636.db2.gz WJZKKWHAIBAKCF-IBGZPJMESA-N 2 0 345.487 1.254 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000264759632 443411436 /nfs/dbraw/zinc/41/14/36/443411436.db2.gz SVHUXIQTEYKJJQ-MRXNPFEDSA-N 2 0 336.480 1.384 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)cc1 ZINC000278984900 443481425 /nfs/dbraw/zinc/48/14/25/443481425.db2.gz KIDKXAREXMMVOR-CYBMUJFWSA-N 2 0 343.431 1.679 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3cnnn3C)CC2)c1 ZINC000267534441 443487931 /nfs/dbraw/zinc/48/79/31/443487931.db2.gz UWZUUMNJRKLQSW-UHFFFAOYSA-N 2 0 342.491 1.816 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H](C)N1CCOCC1 ZINC000422733081 319734654 /nfs/dbraw/zinc/73/46/54/319734654.db2.gz ARYDAJSSJUFSNA-YTXYEVPYSA-N 2 0 345.487 1.941 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H](C)CCCC[NH3+])c1 ZINC000422740014 319736573 /nfs/dbraw/zinc/73/65/73/319736573.db2.gz MUWFEDVMMNCYTJ-AWEZNQCLSA-N 2 0 327.494 1.980 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1 ZINC000422944243 319739658 /nfs/dbraw/zinc/73/96/58/319739658.db2.gz ZQIJBHZSCOWCIS-HOCLYGCPSA-N 2 0 325.478 1.380 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1cccc(Br)c1)C1C[NH2+]C1 ZINC000422957501 319742012 /nfs/dbraw/zinc/74/20/12/319742012.db2.gz ULCLAJTVFIWCBB-SNVBAGLBSA-N 2 0 326.238 1.376 20 0 EDADRP COc1ccc([C@H](NC[C@H](O)C[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422975037 319744202 /nfs/dbraw/zinc/74/42/02/319744202.db2.gz SATYYUPLALSTGD-UHOSZYNNSA-N 2 0 333.476 1.535 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](CC3CCOCC3)CC2)cc1 ZINC000423405092 319772177 /nfs/dbraw/zinc/77/21/77/319772177.db2.gz JCYASYHIIDIUNE-HNNXBMFYSA-N 2 0 331.460 1.891 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000423475247 319778442 /nfs/dbraw/zinc/77/84/42/319778442.db2.gz ZVLMPNAMSOWJEW-KCQAQPDRSA-N 2 0 325.478 1.763 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000423750524 319810734 /nfs/dbraw/zinc/81/07/34/319810734.db2.gz TXJMOCYWOHJVKT-BDVYOWHSSA-N 2 0 333.480 1.658 20 0 EDADRP Nc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000272278812 443577414 /nfs/dbraw/zinc/57/74/14/443577414.db2.gz BJBQJKKKRRNADO-UHFFFAOYSA-N 2 0 340.431 1.001 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)C[C@H]3CCC[NH2+]CC3)CC2)CC1 ZINC000427267404 319894261 /nfs/dbraw/zinc/89/42/61/319894261.db2.gz YDCNYKPAHMENMQ-INIZCTEOSA-N 2 0 336.524 1.441 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCN(c3ccccc3F)CC2)CC1 ZINC000430930434 319936230 /nfs/dbraw/zinc/93/62/30/319936230.db2.gz ARWNWTXQIAKNJI-UHFFFAOYSA-N 2 0 348.466 1.406 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000286201762 443666940 /nfs/dbraw/zinc/66/69/40/443666940.db2.gz RRDVZHDTYRJYTM-IBGZPJMESA-N 2 0 344.503 1.357 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(S(N)(=O)=O)cc1 ZINC000453403875 320263339 /nfs/dbraw/zinc/26/33/39/320263339.db2.gz OZMLEFLXXKBTKV-CYBMUJFWSA-N 2 0 325.478 1.859 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458457510 320336983 /nfs/dbraw/zinc/33/69/83/320336983.db2.gz MPPUAMJZRULLQJ-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP CSC1(CNC(=O)NC(C)(C)C[NH+]2CCCC2)CC[NH+](C)CC1 ZINC000458797383 320341807 /nfs/dbraw/zinc/34/18/07/320341807.db2.gz XUZIVUVPHKVYJF-UHFFFAOYSA-N 2 0 342.553 1.987 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000500189011 320425488 /nfs/dbraw/zinc/42/54/88/320425488.db2.gz SYEHGXFCQWMMJR-BPUTZDHNSA-N 2 0 326.485 1.004 20 0 EDADRP CNC(=O)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000298882167 443891414 /nfs/dbraw/zinc/89/14/14/443891414.db2.gz PANCKYBYPZATGY-CABCVRRESA-N 2 0 346.475 1.995 20 0 EDADRP CC(C)Oc1ccc([C@@H](CNC(=O)[C@H]2CN(C)CCO2)[NH+](C)C)cc1 ZINC000288482571 443894914 /nfs/dbraw/zinc/89/49/14/443894914.db2.gz YEEUBQTUZMKJBZ-QZTJIDSGSA-N 2 0 349.475 1.523 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@H](C)[NH3+] ZINC000277103840 443913369 /nfs/dbraw/zinc/91/33/69/443913369.db2.gz UGHAKOADSFHCKS-KGLIPLIRSA-N 2 0 337.439 1.768 20 0 EDADRP CC(C)C[C@H]1OCCC[C@@H]1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000548189868 320866855 /nfs/dbraw/zinc/86/68/55/320866855.db2.gz JLWMEWLIUQDHIS-DLBZAZTESA-N 2 0 342.528 1.715 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000277531937 444002839 /nfs/dbraw/zinc/00/28/39/444002839.db2.gz SPXQDPIGRPTAJR-SFHVURJKSA-N 2 0 348.491 1.481 20 0 EDADRP CNC(=O)NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293425167 444014355 /nfs/dbraw/zinc/01/43/55/444014355.db2.gz TWLIVGNVKNVYTO-UHFFFAOYSA-N 2 0 344.459 1.430 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000562956319 321083102 /nfs/dbraw/zinc/08/31/02/321083102.db2.gz NQKVZVFRUFDYSV-SJORKVTESA-N 2 0 345.443 1.190 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)CC3CCCC3)ccn2)CC1 ZINC000562985839 321084951 /nfs/dbraw/zinc/08/49/51/321084951.db2.gz VAOHEMBNTVNFCI-GOSISDBHSA-N 2 0 332.492 1.864 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)COc2cccc(C)c2)CC1 ZINC000562993719 321086621 /nfs/dbraw/zinc/08/66/21/321086621.db2.gz MQVZVDRFXUAZLB-MOPGFXCFSA-N 2 0 349.519 1.598 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[NH2+]Cc2cccnc2)C1(C)C ZINC000563106138 321096522 /nfs/dbraw/zinc/09/65/22/321096522.db2.gz XPMJXBSTGATKKA-CRAIPNDOSA-N 2 0 334.464 1.210 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000564889472 321155091 /nfs/dbraw/zinc/15/50/91/321155091.db2.gz CQQJUVPXZBPWKE-LXPRWKDFSA-N 2 0 333.476 1.562 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000564954815 321160005 /nfs/dbraw/zinc/16/00/05/321160005.db2.gz WDGPJABYSRISAR-ORPJZTTNSA-N 2 0 327.472 1.826 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000564956954 321160304 /nfs/dbraw/zinc/16/03/04/321160304.db2.gz VSTGJBLLZCVNBA-AOIWGVFYSA-N 2 0 337.508 1.996 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC12CCOCC2 ZINC000564956045 321160457 /nfs/dbraw/zinc/16/04/57/321160457.db2.gz GBAUTSUCXCOLIE-QSFKDOLUSA-N 2 0 335.492 1.354 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)C[N@@H+]1C1CC1 ZINC000565940820 321207523 /nfs/dbraw/zinc/20/75/23/321207523.db2.gz YUDHYPLMAIWYGG-XUWXXGDYSA-N 2 0 328.460 1.798 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)COc2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000566103317 321214955 /nfs/dbraw/zinc/21/49/55/321214955.db2.gz GIBWYXVISCGHBO-CRAIPNDOSA-N 2 0 349.475 1.558 20 0 EDADRP Cn1c2ccccc2nc1CC[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000566304265 321226010 /nfs/dbraw/zinc/22/60/10/321226010.db2.gz XFAVOCCSVUHKMF-BEFAXECRSA-N 2 0 328.460 1.944 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCN(Cc2ccc(F)cc2Cl)CC1 ZINC000567120920 321241548 /nfs/dbraw/zinc/24/15/48/321241548.db2.gz SRUFWTOPALSMLO-INIZCTEOSA-N 2 0 343.874 1.909 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000567475348 321242958 /nfs/dbraw/zinc/24/29/58/321242958.db2.gz HNNSZVKJYCXKJE-AEFFLSMTSA-N 2 0 333.476 1.392 20 0 EDADRP C[N@@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C(C)(C)C1 ZINC000567625743 321249368 /nfs/dbraw/zinc/24/93/68/321249368.db2.gz VSQMDGMIVMZEJP-OAHLLOKOSA-N 2 0 325.522 1.757 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC1 ZINC000567642575 321250188 /nfs/dbraw/zinc/25/01/88/321250188.db2.gz VHLXIUFNRIWQKC-YJBOKZPZSA-N 2 0 345.487 1.959 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)CN1CC[NH+](C)CC1 ZINC000567691190 321253246 /nfs/dbraw/zinc/25/32/46/321253246.db2.gz RGPPWSBIVUQRGV-QAPCUYQASA-N 2 0 339.911 1.717 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000567804669 321258752 /nfs/dbraw/zinc/25/87/52/321258752.db2.gz SMNKBFPDDZGWCK-ICSRJNTNSA-N 2 0 345.487 1.127 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH+]1CCCC1 ZINC000567870629 321263505 /nfs/dbraw/zinc/26/35/05/321263505.db2.gz WXFWMAXNLXPHHS-BHYGNILZSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C1 ZINC000569083120 321317399 /nfs/dbraw/zinc/31/73/99/321317399.db2.gz KMBRKRCCJONWCN-AWEZNQCLSA-N 2 0 344.459 1.119 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000569098449 321318708 /nfs/dbraw/zinc/31/87/08/321318708.db2.gz GEVZDDKWUREOIT-LXZKKBNFSA-N 2 0 344.459 1.320 20 0 EDADRP CCOc1ncc(C)cc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000569192731 321321027 /nfs/dbraw/zinc/32/10/27/321321027.db2.gz BDHLNQQJBRQRHP-UHFFFAOYSA-N 2 0 337.468 1.746 20 0 EDADRP C[C@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]([NH3+])c1ccccc1 ZINC000570941235 321365399 /nfs/dbraw/zinc/36/53/99/321365399.db2.gz TXQTXNKXXBXMNV-GWFLUQINSA-N 2 0 344.503 1.655 20 0 EDADRP CO[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000571147981 321375068 /nfs/dbraw/zinc/37/50/68/321375068.db2.gz FZTRPRCWDZYFQA-LSDHHAIUSA-N 2 0 340.855 1.312 20 0 EDADRP CS[C@H]1CN(C(=O)Nc2cccc3c2CC[NH2+]C3)C[C@@H]1[NH+](C)C ZINC000571267105 321381179 /nfs/dbraw/zinc/38/11/79/321381179.db2.gz WRBWXQWWAYHVRH-HOTGVXAUSA-N 2 0 334.489 1.842 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@@H](C[NH3+])OC ZINC000278159274 444109916 /nfs/dbraw/zinc/10/99/16/444109916.db2.gz BEEMVYITKUIORL-INIZCTEOSA-N 2 0 337.464 1.387 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](O)C[NH+](C)C1CC1 ZINC000289554346 444170695 /nfs/dbraw/zinc/17/06/95/444170695.db2.gz PAWPBUPIBNZYRV-AHRSYUTCSA-N 2 0 331.504 1.942 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000574548933 321489137 /nfs/dbraw/zinc/48/91/37/321489137.db2.gz YDBOAGOXOBCJTG-QZIVSUOLSA-N 2 0 342.487 1.660 20 0 EDADRP Cc1cc(N(C)C[C@@H](O)C[NH+]2CCN(C)CC2)c2ccccc2[nH+]1 ZINC000302682004 444219543 /nfs/dbraw/zinc/21/95/43/444219543.db2.gz SFOZMHXHKHASBS-MRXNPFEDSA-N 2 0 328.460 1.588 20 0 EDADRP COCCOC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000295749628 444192608 /nfs/dbraw/zinc/19/26/08/444192608.db2.gz NPLBPNFOQMWXHD-QRQLOZEOSA-N 2 0 336.476 1.511 20 0 EDADRP C[C@@H]([NH2+]CCCn1cc(CO)nn1)c1cccc(OCC[NH+](C)C)c1 ZINC000289735961 444197040 /nfs/dbraw/zinc/19/70/40/444197040.db2.gz KITIRZJUWPRJNF-OAHLLOKOSA-N 2 0 347.463 1.452 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1 ZINC000576495849 321571959 /nfs/dbraw/zinc/57/19/59/321571959.db2.gz ZWCMBFRWEFJPDB-QFBILLFUSA-N 2 0 335.492 1.510 20 0 EDADRP C[C@@H]1C[C@@H](NC[C@H](O)C[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000305110345 444258393 /nfs/dbraw/zinc/25/83/93/444258393.db2.gz FOPHEHJXNPAOPA-ZTNFWEORSA-N 2 0 329.488 1.620 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000577062846 321619710 /nfs/dbraw/zinc/61/97/10/321619710.db2.gz RXQQEDZPCVDNFK-LSDHHAIUSA-N 2 0 340.512 1.103 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@H](C[NH+]3CCCCC3)C2)C[C@@H](C)O1 ZINC000304294914 444245231 /nfs/dbraw/zinc/24/52/31/444245231.db2.gz FFTFCCVNCARGRZ-NCXUSEDFSA-N 2 0 339.524 1.264 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@@H](O)CCc2ccccc2)CC1 ZINC000577366242 321645806 /nfs/dbraw/zinc/64/58/06/321645806.db2.gz PSEIYSWVABAPFG-ICSRJNTNSA-N 2 0 333.520 1.843 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CCC[NH+](CCCO)C1)Cc1ccccc1 ZINC000297289614 444280977 /nfs/dbraw/zinc/28/09/77/444280977.db2.gz HFAFDPSPQUTNTR-SFHVURJKSA-N 2 0 348.491 1.264 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](Cc3ccccc3)OC)C2)CC1 ZINC000297465301 444289263 /nfs/dbraw/zinc/28/92/63/444289263.db2.gz KKWUMQKXBDGMMJ-WOJBJXKFSA-N 2 0 331.504 1.956 20 0 EDADRP CN1CCN(C)[C@H](C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)C1 ZINC000309947426 444290076 /nfs/dbraw/zinc/29/00/76/444290076.db2.gz POEKYPDBMPDNLG-HRCADAONSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426396 444291601 /nfs/dbraw/zinc/29/16/01/444291601.db2.gz PDONYXNHBNXGQC-NVXWUHKLSA-N 2 0 331.460 1.392 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCS(=O)(=O)c3ccc(F)cc32)CC1 ZINC000314795023 444302582 /nfs/dbraw/zinc/30/25/82/444302582.db2.gz CYICUILKDORYGC-OAHLLOKOSA-N 2 0 326.437 1.976 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CO2 ZINC000297826135 444339222 /nfs/dbraw/zinc/33/92/22/444339222.db2.gz RONHANIVYVGZMX-IAGOWNOFSA-N 2 0 334.460 1.825 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000324224066 444351725 /nfs/dbraw/zinc/35/17/25/444351725.db2.gz FWHDQAWWYOUUAU-GOSISDBHSA-N 2 0 325.497 1.583 20 0 EDADRP C[C@@H]1CN(C(=O)N2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)C[C@@]1(C)C[NH3+] ZINC000578490082 321782310 /nfs/dbraw/zinc/78/23/10/321782310.db2.gz HDACOYXGOLOUCM-NYCLONFESA-N 2 0 338.496 1.241 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000340262443 444374497 /nfs/dbraw/zinc/37/44/97/444374497.db2.gz DBHCEGRSUQEBMS-INIZCTEOSA-N 2 0 340.512 1.167 20 0 EDADRP COC[C@@]1(CNC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)CCC[NH2+]1 ZINC000578624986 321804943 /nfs/dbraw/zinc/80/49/43/321804943.db2.gz FXWUPVQQMIVCTB-YJBOKZPZSA-N 2 0 338.496 1.175 20 0 EDADRP C[C@H](CC(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000579110075 321884999 /nfs/dbraw/zinc/88/49/99/321884999.db2.gz PSNMUKHGNSEJPF-BGTYHANMSA-N 2 0 337.508 1.757 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CCCNS(=O)(=O)CC)CC1 ZINC000337959312 444471998 /nfs/dbraw/zinc/47/19/98/444471998.db2.gz JIJNAJBIFJVADU-UHFFFAOYSA-N 2 0 333.542 1.760 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000338048502 444499227 /nfs/dbraw/zinc/49/92/27/444499227.db2.gz FIFMWBMJMLYOCY-IEBWSBKVSA-N 2 0 338.540 1.641 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[C@@H]1c1cccs1 ZINC000580052506 322002043 /nfs/dbraw/zinc/00/20/43/322002043.db2.gz IVABGFPQUAYTIN-XYTFPVCRSA-N 2 0 334.489 1.648 20 0 EDADRP C[NH+](C)[C@@H]1CCN(c2ccc(N[C@@H](C3CC3)[C@H]3C[NH2+]CCO3)nc2)C1 ZINC000580062658 322003313 /nfs/dbraw/zinc/00/33/13/322003313.db2.gz PAVVHWDVURWGFC-LMMKCTJWSA-N 2 0 345.491 1.401 20 0 EDADRP CC(C)c1nc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cs1 ZINC000580063919 322003494 /nfs/dbraw/zinc/00/34/94/322003494.db2.gz BKSCNGWRHCJQIB-HNNXBMFYSA-N 2 0 326.510 1.007 20 0 EDADRP CCOC[C@@H](O)C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000580063925 322003782 /nfs/dbraw/zinc/00/37/82/322003782.db2.gz BOQPAYJHHFIBBA-HOCLYGCPSA-N 2 0 339.455 1.626 20 0 EDADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000580725329 322088455 /nfs/dbraw/zinc/08/84/55/322088455.db2.gz ARNYBBBWWDSULR-IRXDYDNUSA-N 2 0 330.476 1.948 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000580764235 322091854 /nfs/dbraw/zinc/09/18/54/322091854.db2.gz NHLHSNAEPLRQBX-CVEARBPZSA-N 2 0 338.496 1.128 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[C@H]([NH3+])C2)[NH+]2CCCCC2)cc1 ZINC000580763422 322091896 /nfs/dbraw/zinc/09/18/96/322091896.db2.gz BFWBPYRINSDZOT-FUHWJXTLSA-N 2 0 346.475 1.965 20 0 EDADRP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000580828744 322100498 /nfs/dbraw/zinc/10/04/98/322100498.db2.gz KBBMGSXBQNRKIS-NJAFHUGGSA-N 2 0 333.476 1.328 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000580881912 322106886 /nfs/dbraw/zinc/10/68/86/322106886.db2.gz GBYNYQLPNRVSTG-KBAYOESNSA-N 2 0 330.476 1.806 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000581202452 322149371 /nfs/dbraw/zinc/14/93/71/322149371.db2.gz XCYZTZCJTMUKGE-FQEVSTJZSA-N 2 0 348.535 1.049 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000581886761 322228787 /nfs/dbraw/zinc/22/87/87/322228787.db2.gz RLIHNOOKDNWQBI-IAGOWNOFSA-N 2 0 345.491 1.322 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000343695809 444526353 /nfs/dbraw/zinc/52/63/53/444526353.db2.gz QRSNVDXPFJYYAC-MRXNPFEDSA-N 2 0 340.512 1.215 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1CC12CC[NH2+]CC2 ZINC000332831159 444567104 /nfs/dbraw/zinc/56/71/04/444567104.db2.gz SLHGSERALLJPCS-GVDBMIGSSA-N 2 0 331.435 1.777 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)N[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000340966499 444604134 /nfs/dbraw/zinc/60/41/34/444604134.db2.gz NLWWCOLHVRFPBG-DLBZAZTESA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000342288867 444615332 /nfs/dbraw/zinc/61/53/32/444615332.db2.gz ADMJCIGYCKJOHO-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP CCOC(=O)CC(C)(C)[N@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000343894489 444651591 /nfs/dbraw/zinc/65/15/91/444651591.db2.gz CIVKKDMKUBDGDY-UHFFFAOYSA-N 2 0 327.469 1.251 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341098233 444672911 /nfs/dbraw/zinc/67/29/11/444672911.db2.gz YRJCNDQZOJVUFS-HOTGVXAUSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000333495603 444676646 /nfs/dbraw/zinc/67/66/46/444676646.db2.gz DTDGHZMVOMEBFV-CADBVGFASA-N 2 0 342.487 1.773 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccncc1OCC[NH+](C)C)C1CCOCC1 ZINC000343991510 444714153 /nfs/dbraw/zinc/71/41/53/444714153.db2.gz QLIPGGKRZHVFGE-QGZVFWFLSA-N 2 0 337.464 1.553 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC000333921330 444718823 /nfs/dbraw/zinc/71/88/23/444718823.db2.gz QNVIMHYXTQXXTM-MRXNPFEDSA-N 2 0 338.496 1.544 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]12 ZINC000333941882 444724077 /nfs/dbraw/zinc/72/40/77/444724077.db2.gz PMBSPGZPKHGFCD-FGTMMUONSA-N 2 0 328.460 1.423 20 0 EDADRP C[N@H+](CCCn1ccnc1)CC(=O)NC[C@H]1COc2ccccc2O1 ZINC000341123458 444686130 /nfs/dbraw/zinc/68/61/30/444686130.db2.gz HXJIKFJYIAJDIU-HNNXBMFYSA-N 2 0 344.415 1.161 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028019 444738027 /nfs/dbraw/zinc/73/80/27/444738027.db2.gz LPRKJXATLRGDKC-ZWKOTPCHSA-N 2 0 340.556 1.981 20 0 EDADRP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344028018 444738171 /nfs/dbraw/zinc/73/81/71/444738171.db2.gz LPRKJXATLRGDKC-ROUUACIJSA-N 2 0 340.556 1.981 20 0 EDADRP C[C@H]1CCCC[C@H]1NC(=O)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344032315 444739870 /nfs/dbraw/zinc/73/98/70/444739870.db2.gz PUUJZAPHOLVOGQ-DLBZAZTESA-N 2 0 326.529 1.497 20 0 EDADRP Cn1ccnc1CN1C[C@@H](F)C[C@@H]1C[N@H+](C)CCc1ccnn1C ZINC000338562105 444748135 /nfs/dbraw/zinc/74/81/35/444748135.db2.gz BCXZBVBWGZFURC-GOEBONIOSA-N 2 0 334.443 1.241 20 0 EDADRP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@@H]3CCCC[N@@H+]3C)ncn2)C1 ZINC000334027695 444751372 /nfs/dbraw/zinc/75/13/72/444751372.db2.gz IMBWBFYMNLEQQR-BBWFWOEESA-N 2 0 347.507 1.994 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000344022903 444734169 /nfs/dbraw/zinc/73/41/69/444734169.db2.gz PJRIEQYFBWRZFB-GDBMZVCRSA-N 2 0 349.475 1.942 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)C[C@@H]1CCCS(=O)(=O)C1 ZINC000344131666 444798089 /nfs/dbraw/zinc/79/80/89/444798089.db2.gz OBGXXOQGMDRVFD-KRWDZBQOSA-N 2 0 345.553 1.161 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000329996742 444804575 /nfs/dbraw/zinc/80/45/75/444804575.db2.gz PJINBBDIMOIBCD-AWEZNQCLSA-N 2 0 332.510 1.025 20 0 EDADRP Cc1cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2nccn2c1 ZINC000625541011 450417639 /nfs/dbraw/zinc/41/76/39/450417639.db2.gz SXTODIRBWQELRR-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)nn1 ZINC000342805787 444874347 /nfs/dbraw/zinc/87/43/47/444874347.db2.gz JOFUAFXXCCKSAN-ZBFHGGJFSA-N 2 0 349.479 1.697 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(c3cc(N4CCCC[C@@H]4CO)ncn3)C2)C1 ZINC000330181139 444876624 /nfs/dbraw/zinc/87/66/24/444876624.db2.gz GKVOGQXVCKIJKH-CRAIPNDOSA-N 2 0 331.464 1.360 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338913437 444928974 /nfs/dbraw/zinc/92/89/74/444928974.db2.gz ICTDROAAIGWECL-UHFFFAOYSA-N 2 0 344.459 1.613 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)CCC[N@@H+]1C ZINC000344420792 444957485 /nfs/dbraw/zinc/95/74/85/444957485.db2.gz KLMSKMDEGSWZML-XJKSGUPXSA-N 2 0 332.448 1.286 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000341712532 444965185 /nfs/dbraw/zinc/96/51/85/444965185.db2.gz QNPMCYTWLZDMDH-UHFFFAOYSA-N 2 0 346.519 1.603 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000344471366 444996387 /nfs/dbraw/zinc/99/63/87/444996387.db2.gz IRXUBJJKDWUXLA-UHFFFAOYSA-N 2 0 333.480 1.200 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)C1(n2cccn2)CC[NH2+]CC1 ZINC000344492209 445008246 /nfs/dbraw/zinc/00/82/46/445008246.db2.gz RPOCSRUQMARSLS-UHFFFAOYSA-N 2 0 333.480 1.344 20 0 EDADRP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399978 445062872 /nfs/dbraw/zinc/06/28/72/445062872.db2.gz QUFHOSBSIZOSBJ-WBVHZDCISA-N 2 0 336.476 1.990 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105369 445070007 /nfs/dbraw/zinc/07/00/07/445070007.db2.gz HWFNWUPKQSIMJR-BHIYHBOVSA-N 2 0 345.487 1.591 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337345423 445040369 /nfs/dbraw/zinc/04/03/69/445040369.db2.gz VAHBBOADHVRNEN-CALCHBBNSA-N 2 0 340.512 1.517 20 0 EDADRP C[N@H+](CC(=O)NCc1ccccc1Cn1ccnc1)[C@@H]1CCSC1 ZINC000343141377 445091702 /nfs/dbraw/zinc/09/17/02/445091702.db2.gz HMIQQRKYMRDXKP-QGZVFWFLSA-N 2 0 344.484 1.985 20 0 EDADRP COc1ccc(F)c(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)c1 ZINC000339255264 445118273 /nfs/dbraw/zinc/11/82/73/445118273.db2.gz AKYMTODHLHBVLY-UHFFFAOYSA-N 2 0 339.455 1.314 20 0 EDADRP C[C@H]([NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1)c1ccc2c(c1)OCCO2 ZINC000346084274 445205805 /nfs/dbraw/zinc/20/58/05/445205805.db2.gz CMHPFSJESFSQOO-GOEBONIOSA-N 2 0 347.459 1.696 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NCC(C)(C)[NH+]2CCCCC2)C1 ZINC000346964289 445228958 /nfs/dbraw/zinc/22/89/58/445228958.db2.gz NJNHMZFKRJJRKE-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347111542 445232044 /nfs/dbraw/zinc/23/20/44/445232044.db2.gz QUPKHPHLHBQKSP-QGZVFWFLSA-N 2 0 330.476 1.396 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000347085552 445231382 /nfs/dbraw/zinc/23/13/82/445231382.db2.gz LYWQAYYWYUQRQQ-NUJGCVRESA-N 2 0 337.508 1.555 20 0 EDADRP C[N@H+](CC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[C@H]1CCSC1 ZINC000343536705 445240361 /nfs/dbraw/zinc/24/03/61/445240361.db2.gz HQKSBAVGYJEKPK-CVEARBPZSA-N 2 0 325.522 1.901 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC[N@@H+]1C ZINC000343626012 445268992 /nfs/dbraw/zinc/26/89/92/445268992.db2.gz OJFFYKCJGPMUFB-CRAIPNDOSA-N 2 0 345.491 1.828 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)C1CC1 ZINC000348123224 445280771 /nfs/dbraw/zinc/28/07/71/445280771.db2.gz DGFFEJVZELZVPV-SJORKVTESA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000351822910 445333784 /nfs/dbraw/zinc/33/37/84/445333784.db2.gz PNBBRCSFXKCHOF-MSOLQXFVSA-N 2 0 344.503 1.785 20 0 EDADRP COc1cc(NC(=O)CN2CC[C@@H]([C@@H](C)[NH3+])C2)cc(OC)c1OC ZINC000351849128 445342325 /nfs/dbraw/zinc/34/23/25/445342325.db2.gz FOTVQHBBEFLYLL-VXGBXAGGSA-N 2 0 337.420 1.320 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000359738708 445400697 /nfs/dbraw/zinc/40/06/97/445400697.db2.gz JLKZVBXIRSQERD-UHFFFAOYSA-N 2 0 349.479 1.258 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357078905 445411980 /nfs/dbraw/zinc/41/19/80/445411980.db2.gz KMMLDYKXMXPOPO-CZUORRHYSA-N 2 0 344.459 1.434 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCCC(=O)NC(N)=O)CC1)CC1CC1 ZINC000357085801 445417859 /nfs/dbraw/zinc/41/78/59/445417859.db2.gz OIDORYDFFWFRRV-UHFFFAOYSA-N 2 0 338.496 1.796 20 0 EDADRP CCCCN(C)S(=O)(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC ZINC000357055248 445398002 /nfs/dbraw/zinc/39/80/02/445398002.db2.gz UIAAVOIRTFJMHB-INIZCTEOSA-N 2 0 348.557 1.311 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CC[N@H+](C)CC[C@H]1C)N1CCOCC1 ZINC000355481040 445464079 /nfs/dbraw/zinc/46/40/79/445464079.db2.gz MCRBZCFLJQKFEB-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000357295013 445531449 /nfs/dbraw/zinc/53/14/49/445531449.db2.gz ZJSKEKIYWGOEIX-AYBZRNKSSA-N 2 0 348.491 1.352 20 0 EDADRP O=C([C@H]1COCCN1C1CCCC1)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000357368211 445555131 /nfs/dbraw/zinc/55/51/31/445555131.db2.gz DWOUYZYDCGZJGE-IEBWSBKVSA-N 2 0 349.519 1.964 20 0 EDADRP C[C@@H]1C(=O)CC[C@H]1CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000355994513 445562577 /nfs/dbraw/zinc/56/25/77/445562577.db2.gz XFMAERSBVRHBKW-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)NCCN1CCOC[C@H]1C)C(C)C ZINC000355955783 445544037 /nfs/dbraw/zinc/54/40/37/445544037.db2.gz DCYYWSABFUNOPM-MRXNPFEDSA-N 2 0 328.501 1.467 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000352682527 445547940 /nfs/dbraw/zinc/54/79/40/445547940.db2.gz DRFONBBFYGAQTR-UHFFFAOYSA-N 3 0 341.544 1.386 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CN2CCCC2=O)[C@@H](C)C1 ZINC000358014800 445600009 /nfs/dbraw/zinc/60/00/09/445600009.db2.gz DDHAIZYEYZMSIY-ULQDDVLXSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000353435564 445600547 /nfs/dbraw/zinc/60/05/47/445600547.db2.gz AHCVWDKJHDNSTD-JCGIZDLHSA-N 2 0 337.508 1.173 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000356085297 445611313 /nfs/dbraw/zinc/61/13/13/445611313.db2.gz FCGUDSXQNSDCAV-MRXNPFEDSA-N 2 0 349.523 1.973 20 0 EDADRP C[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000356126041 445635739 /nfs/dbraw/zinc/63/57/39/445635739.db2.gz RQFPVHYHKSKOJL-GOSISDBHSA-N 2 0 330.476 1.902 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)C1 ZINC000349660467 445637790 /nfs/dbraw/zinc/63/77/90/445637790.db2.gz BZBLLKIPJVKATB-QZTJIDSGSA-N 2 0 348.491 1.179 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986400 445639473 /nfs/dbraw/zinc/63/94/73/445639473.db2.gz KLWVVPITKNAKSI-YOEHRIQHSA-N 2 0 331.460 1.780 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCSC1 ZINC000360248758 445655732 /nfs/dbraw/zinc/65/57/32/445655732.db2.gz JNQZLBARQZPSDE-DZKIICNBSA-N 2 0 326.510 1.350 20 0 EDADRP COc1cc(C[NH2+]C(C)(C)CCN2CC[NH+](C)CC2)cc2c1OCO2 ZINC000349822734 445689519 /nfs/dbraw/zinc/68/95/19/445689519.db2.gz QUBGYCZXDNJRRO-UHFFFAOYSA-N 2 0 349.475 1.930 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCOCC1 ZINC000353659732 445696227 /nfs/dbraw/zinc/69/62/27/445696227.db2.gz BDUJQTFTLURUDE-NVXWUHKLSA-N 2 0 333.476 1.986 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCCC[NH+]2CCC(O)CC2)[C@@H](C)C1 ZINC000360338147 445699945 /nfs/dbraw/zinc/69/99/45/445699945.db2.gz PBMJJRMFBIXOON-PKOBYXMFSA-N 2 0 341.540 1.560 20 0 EDADRP CC(C)OCC[C@H](O)C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349903793 445716984 /nfs/dbraw/zinc/71/69/84/445716984.db2.gz BJYOJNMSMMXHMK-BZSNNMDCSA-N 2 0 327.513 1.120 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356299486 445725216 /nfs/dbraw/zinc/72/52/16/445725216.db2.gz OFSNECCDPMROPR-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)C1 ZINC000349937330 445726672 /nfs/dbraw/zinc/72/66/72/445726672.db2.gz SEGCSWAOUAVGHG-DLBZAZTESA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NCC[NH+](C)C1CC1 ZINC000363235155 445733674 /nfs/dbraw/zinc/73/36/74/445733674.db2.gz YWPIXCIKTONTAG-QAPCUYQASA-N 2 0 345.491 1.685 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC(C)(C)C[NH+]2CCCC2)CCSC1 ZINC000358738581 445751910 /nfs/dbraw/zinc/75/19/10/445751910.db2.gz BMLXDHYLXKDDPS-QGZVFWFLSA-N 2 0 342.553 1.845 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000356390856 445767253 /nfs/dbraw/zinc/76/72/53/445767253.db2.gz DRCYOZVJWVEJBC-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000356462816 445803373 /nfs/dbraw/zinc/80/33/73/445803373.db2.gz VMCLZSYBMFVTIK-MRXNPFEDSA-N 2 0 332.448 1.265 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356610630 445884202 /nfs/dbraw/zinc/88/42/02/445884202.db2.gz UNUQLGKZWPILJN-ROUUACIJSA-N 2 0 338.540 1.593 20 0 EDADRP COC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000354067620 445884854 /nfs/dbraw/zinc/88/48/54/445884854.db2.gz DIUXEESIVNDTID-IBGZPJMESA-N 2 0 347.503 1.811 20 0 EDADRP CS[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H]1[NH+]1CCCC1 ZINC000361626667 445855171 /nfs/dbraw/zinc/85/51/71/445855171.db2.gz XZMJZWXUYCISBZ-SOUVJXGZSA-N 2 0 343.562 1.462 20 0 EDADRP CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363556641 445857527 /nfs/dbraw/zinc/85/75/27/445857527.db2.gz CFJUNOSNIUCRCD-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP C[NH+](C)[C@@]1(C(=O)N2CCC(OCCC[NH3+])CC2)CCc2ccccc21 ZINC000361707513 445890291 /nfs/dbraw/zinc/89/02/91/445890291.db2.gz DDHCWAOINTUGKT-FQEVSTJZSA-N 2 0 345.487 1.746 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC000350732658 445891500 /nfs/dbraw/zinc/89/15/00/445891500.db2.gz QSZROMQFLMLQPC-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000361710506 445892238 /nfs/dbraw/zinc/89/22/38/445892238.db2.gz KALPLIZHEBDXJT-MRXNPFEDSA-N 2 0 336.480 1.499 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)CC1 ZINC000365918973 445906652 /nfs/dbraw/zinc/90/66/52/445906652.db2.gz HVRXSSXACSOYQP-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000356644517 445909231 /nfs/dbraw/zinc/90/92/31/445909231.db2.gz AMNOBLUNMICBQI-JKSUJKDBSA-N 2 0 340.512 1.659 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000361743076 445910317 /nfs/dbraw/zinc/91/03/17/445910317.db2.gz BWMBIMHSHCFGRI-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000361753231 445916975 /nfs/dbraw/zinc/91/69/75/445916975.db2.gz HEHCYMDDRIXZMX-GVDBMIGSSA-N 2 0 341.496 1.007 20 0 EDADRP CN1CCc2ncnc(N3CCN(C[C@H]4CCCC[N@@H+]4C)CC3)c2C1 ZINC000364842719 445960482 /nfs/dbraw/zinc/96/04/82/445960482.db2.gz IRFAXOYFDQWPFS-MRXNPFEDSA-N 2 0 344.507 1.071 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000351010619 445968859 /nfs/dbraw/zinc/96/88/59/445968859.db2.gz RGRZYRBLXHKXPL-OAGGEKHMSA-N 2 0 340.512 1.022 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000373039183 445989233 /nfs/dbraw/zinc/98/92/33/445989233.db2.gz ZUUAUOUQNVELEK-MRXNPFEDSA-N 2 0 335.492 1.432 20 0 EDADRP Cc1c([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)nnn1-c1ccccc1 ZINC000361886971 446040050 /nfs/dbraw/zinc/04/00/50/446040050.db2.gz BGDHFLSWQWPFFS-CQSZACIVSA-N 2 0 329.448 1.683 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1C[C@@H](O)C1CCCCC1 ZINC000365074996 446009517 /nfs/dbraw/zinc/00/95/17/446009517.db2.gz XYDICEWXFBGOPW-NZSAHSFTSA-N 2 0 339.524 1.264 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000583153378 326015307 /nfs/dbraw/zinc/01/53/07/326015307.db2.gz KMQWOYPBLSPJOK-WMZOPIPTSA-N 2 0 341.459 1.272 20 0 EDADRP O[C@H](CNC[C@H](O)C[NH+]1CCCCC1)COc1ccc(Cl)cc1 ZINC000583631471 326108052 /nfs/dbraw/zinc/10/80/52/326108052.db2.gz YMJVHDNLFHSMJR-JKSUJKDBSA-N 2 0 342.867 1.516 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCCCc2ccc(Cl)s2)CC1 ZINC000583748396 326131896 /nfs/dbraw/zinc/13/18/96/326131896.db2.gz BIMPQZNKXNAICK-AWEZNQCLSA-N 2 0 345.940 1.922 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000583807603 326143688 /nfs/dbraw/zinc/14/36/88/326143688.db2.gz RUUARLGMPOQRNK-QGZVFWFLSA-N 2 0 347.507 1.582 20 0 EDADRP Cc1nc[nH]c1CC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000366177638 446065442 /nfs/dbraw/zinc/06/54/42/446065442.db2.gz DHWRVVDQYGNRJS-KRWDZBQOSA-N 2 0 326.444 1.941 20 0 EDADRP CC[C@@H](C(=O)N[C@@H]1CC[NH+](CCOC)C1)[N@H+](C)Cc1ccccc1 ZINC000354286253 446082702 /nfs/dbraw/zinc/08/27/02/446082702.db2.gz XGBOWLXDECORPK-MSOLQXFVSA-N 2 0 333.476 1.734 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(=O)CC)C2)[C@H](C)C1 ZINC000361943170 446092437 /nfs/dbraw/zinc/09/24/37/446092437.db2.gz AZVCGGJHXRXMNN-ZACQAIPSSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)[C@H]1CCCOC1 ZINC000356904461 446110612 /nfs/dbraw/zinc/11/06/12/446110612.db2.gz TZUKRZJFXAHRNW-WDSOQIARSA-N 2 0 347.503 1.680 20 0 EDADRP COC(=O)CCn1nc(C)c(C[NH2+]CC2(C)CC[NH+](C)CC2)c1C ZINC000356914714 446121105 /nfs/dbraw/zinc/12/11/05/446121105.db2.gz IRSMMDAXVCUGEG-UHFFFAOYSA-N 2 0 336.480 1.885 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)C1CCSCC1 ZINC000354346069 446129622 /nfs/dbraw/zinc/12/96/22/446129622.db2.gz FPPSADQQFOYEQA-MRXNPFEDSA-N 2 0 329.554 1.498 20 0 EDADRP O=C(NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000366343645 446164844 /nfs/dbraw/zinc/16/48/44/446164844.db2.gz BPQDWDQJANLLTK-WKULXVSPSA-N 2 0 335.492 1.524 20 0 EDADRP C[C@H](CC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000366345090 446166341 /nfs/dbraw/zinc/16/63/41/446166341.db2.gz HPAULEHSGZLUKA-BPQIPLTHSA-N 2 0 337.508 1.629 20 0 EDADRP C[C@H](CC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1)C1CC[NH2+]CC1 ZINC000366345093 446166618 /nfs/dbraw/zinc/16/66/18/446166618.db2.gz HPAULEHSGZLUKA-NXHRZFHOSA-N 2 0 337.508 1.629 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351544464 446145567 /nfs/dbraw/zinc/14/55/67/446145567.db2.gz UXOWHKKGANSCLM-HOCLYGCPSA-N 2 0 346.475 1.100 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000370592759 446347437 /nfs/dbraw/zinc/34/74/37/446347437.db2.gz IWUCDYUFRBMIQT-MSOLQXFVSA-N 2 0 330.476 1.927 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC1(C)CC[NH2+]CC1 ZINC000417370772 446350437 /nfs/dbraw/zinc/35/04/37/446350437.db2.gz UKHYSXWAOQFIQL-UHFFFAOYSA-N 2 0 334.464 1.568 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000417441705 446351759 /nfs/dbraw/zinc/35/17/59/446351759.db2.gz QRRMUROKUWJJIG-UHFFFAOYSA-N 2 0 338.496 1.017 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CCN3C(=O)NC4(CCCC4)C3=O)C2)CC1 ZINC000374178526 446356720 /nfs/dbraw/zinc/35/67/20/446356720.db2.gz PNKUGVZBBBFLED-UHFFFAOYSA-N 2 0 348.491 1.659 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370646415 446370879 /nfs/dbraw/zinc/37/08/79/446370879.db2.gz UFLIVYCEYYNDQO-AKHDSKFASA-N 2 0 339.524 1.576 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)C1 ZINC000417896425 446378847 /nfs/dbraw/zinc/37/88/47/446378847.db2.gz VUJBEHOZWKPSMY-SQNIBIBYSA-N 2 0 336.524 1.995 20 0 EDADRP COCC1(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC[NH2+]CC1 ZINC000417896539 446379054 /nfs/dbraw/zinc/37/90/54/446379054.db2.gz VZDBMLNPFPGYMK-INIZCTEOSA-N 2 0 340.512 1.280 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000417897796 446379865 /nfs/dbraw/zinc/37/98/65/446379865.db2.gz XAHTXWBGTMPEKV-SFHVURJKSA-N 2 0 347.507 1.838 20 0 EDADRP COc1ncc(CN2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)n1 ZINC000366851894 446382535 /nfs/dbraw/zinc/38/25/35/446382535.db2.gz OLCKPBSAHCXPGD-QGZVFWFLSA-N 2 0 333.480 1.394 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000365877385 446384394 /nfs/dbraw/zinc/38/43/94/446384394.db2.gz KSKQPTKLGKPXGB-HZPDHXFCSA-N 2 0 340.512 1.611 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918876 446385868 /nfs/dbraw/zinc/38/58/68/446385868.db2.gz PIQWXPADWGCHMT-AEFFLSMTSA-N 2 0 340.512 1.565 20 0 EDADRP O[C@H](C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1)C1CCCCC1 ZINC000366964514 446431114 /nfs/dbraw/zinc/43/11/14/446431114.db2.gz UWFBQJKGUCOEIT-LJQANCHMSA-N 2 0 339.524 1.268 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000370778568 446437208 /nfs/dbraw/zinc/43/72/08/446437208.db2.gz GKPWGWZQMKZNAR-JXFKEZNVSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@@H]1C[NH+](CCOc2ccc(CCNC(=O)NCC[NH3+])cc2)C[C@H]1C ZINC000417973288 446403765 /nfs/dbraw/zinc/40/37/65/446403765.db2.gz CDVMFTBMCFHSIR-HZPDHXFCSA-N 2 0 348.491 1.454 20 0 EDADRP C[N@@H+](CC(=O)NCC(F)(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374847785 446416284 /nfs/dbraw/zinc/41/62/84/446416284.db2.gz SSWBTIUJOLLXMD-UHFFFAOYSA-N 2 0 344.381 1.908 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N(C)[C@H]1C[NH2+]C[C@@H]1O ZINC000418037738 446422034 /nfs/dbraw/zinc/42/20/34/446422034.db2.gz REJVWSDCFZDXJK-SQNIBIBYSA-N 2 0 348.491 1.117 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C)C[NH+]2CCCCCC2)CC[NH2+]CC1 ZINC000418048922 446425014 /nfs/dbraw/zinc/42/50/14/446425014.db2.gz SNYYYPNKVXYVHI-INIZCTEOSA-N 2 0 340.512 1.566 20 0 EDADRP CSC1(CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC[NH+](C)CC1 ZINC000418202979 446455978 /nfs/dbraw/zinc/45/59/78/446455978.db2.gz UUSWGVKHEDLSSQ-CQSZACIVSA-N 2 0 328.526 1.631 20 0 EDADRP C[NH+](C)CC1(NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)CCC1 ZINC000367006236 446458710 /nfs/dbraw/zinc/45/87/10/446458710.db2.gz ZWWGGIUXECWPSE-UHFFFAOYSA-N 2 0 333.480 1.583 20 0 EDADRP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000423235342 446460724 /nfs/dbraw/zinc/46/07/24/446460724.db2.gz QXNYGVGKBOXBQK-UONOGXRCSA-N 2 0 341.477 1.095 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000420299725 446460929 /nfs/dbraw/zinc/46/09/29/446460929.db2.gz BLUIYEDBHNFULP-LSDHHAIUSA-N 2 0 333.432 1.252 20 0 EDADRP CSc1ccc([C@H](CNC(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000418227920 446464655 /nfs/dbraw/zinc/46/46/55/446464655.db2.gz DDKYEKVNFCRLER-KCXAZCMYSA-N 2 0 336.505 2.000 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@]2([NH+](C)C)CCCSC2)C1 ZINC000367019180 446466402 /nfs/dbraw/zinc/46/64/02/446466402.db2.gz GTIZOYZEVZUHBN-NVXWUHKLSA-N 2 0 327.538 1.908 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000420305381 446467469 /nfs/dbraw/zinc/46/74/69/446467469.db2.gz ZADHCNVLXNCWQR-ZDUSSCGKSA-N 2 0 333.432 1.495 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])c1 ZINC000423265974 446468578 /nfs/dbraw/zinc/46/85/78/446468578.db2.gz BMWLMGBVXCXQJI-NOLJZWGESA-N 2 0 325.478 1.763 20 0 EDADRP CN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000420314994 446479519 /nfs/dbraw/zinc/47/95/19/446479519.db2.gz RIVLMVXLADQDKO-MSOLQXFVSA-N 2 0 332.492 1.479 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)ccc1OCC[NH+](C)C ZINC000423337015 446494654 /nfs/dbraw/zinc/49/46/54/446494654.db2.gz HAVSSCYXHLSKAV-GDBMZVCRSA-N 2 0 349.475 1.640 20 0 EDADRP COCc1ccccc1CNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420331251 446501225 /nfs/dbraw/zinc/50/12/25/446501225.db2.gz DSXGQFKXRTXUKY-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000423363682 446501351 /nfs/dbraw/zinc/50/13/51/446501351.db2.gz UWDGUSNPJUASBG-KRWDZBQOSA-N 2 0 347.459 1.569 20 0 EDADRP CCc1ccnc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000374997333 446502738 /nfs/dbraw/zinc/50/27/38/446502738.db2.gz JWCKUKWJKVUKDN-QGZVFWFLSA-N 2 0 330.476 1.885 20 0 EDADRP C[C@H](C[C@@H]1COCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000423365495 446503630 /nfs/dbraw/zinc/50/36/30/446503630.db2.gz KFHYNADRTHBTTF-SCFUHWHPSA-N 2 0 339.430 1.767 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418332540 446504187 /nfs/dbraw/zinc/50/41/87/446504187.db2.gz SVHXZBWLSQFOBX-QGZVFWFLSA-N 2 0 333.480 1.687 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)NCCC[NH2+]Cc2cccnc2)C1 ZINC000418335086 446506092 /nfs/dbraw/zinc/50/60/92/446506092.db2.gz YWBUTVDOAMOGHN-KRWDZBQOSA-N 2 0 333.480 1.685 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C1CCCCC1 ZINC000418343109 446509228 /nfs/dbraw/zinc/50/92/28/446509228.db2.gz AMFFWACIHXYKPL-CVEARBPZSA-N 2 0 326.485 1.040 20 0 EDADRP COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420341108 446511830 /nfs/dbraw/zinc/51/18/30/446511830.db2.gz NQTDSNSJRNGGFS-QZTJIDSGSA-N 2 0 345.487 1.975 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418359253 446512836 /nfs/dbraw/zinc/51/28/36/446512836.db2.gz ZTOGACNQGOTIQP-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418360938 446513523 /nfs/dbraw/zinc/51/35/23/446513523.db2.gz KPSMIRDWNNOQQX-RDJZCZTQSA-N 2 0 339.528 1.219 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423394713 446515534 /nfs/dbraw/zinc/51/55/34/446515534.db2.gz MZAXFKVVHUZDKN-NQBHXWOUSA-N 2 0 328.254 1.587 20 0 EDADRP C[NH2+]CCNC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@H+](C)C1CCN(C)CC1 ZINC000418325710 446498980 /nfs/dbraw/zinc/49/89/80/446498980.db2.gz JYDZWRKUZQSPRX-DLBZAZTESA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000418480049 446559437 /nfs/dbraw/zinc/55/94/37/446559437.db2.gz CASDMOAJPVOOAH-QGZVFWFLSA-N 2 0 332.492 1.931 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1C[C@@H](C)O ZINC000418481411 446559812 /nfs/dbraw/zinc/55/98/12/446559812.db2.gz DKFRYFMEZMIOSL-IIDMSEBBSA-N 2 0 348.491 1.693 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]([NH3+])C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418486076 446561814 /nfs/dbraw/zinc/56/18/14/446561814.db2.gz INRGSQXVSVLBGP-MAUKXSAKSA-N 2 0 330.476 1.887 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418420960 446538448 /nfs/dbraw/zinc/53/84/48/446538448.db2.gz ZUFVSDVINXHUII-SJORKVTESA-N 2 0 339.528 1.173 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@H]([NH3+])c2ccccc2)CC[N@@H+]1CCOC ZINC000418421803 446538498 /nfs/dbraw/zinc/53/84/98/446538498.db2.gz CXPCNPFDFCRBGG-MSOLQXFVSA-N 2 0 348.491 1.829 20 0 EDADRP C[C@@H](O)C[C@@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccccc1 ZINC000433151979 446538566 /nfs/dbraw/zinc/53/85/66/446538566.db2.gz PKTIILAEUDREFM-AEFFLSMTSA-N 2 0 347.503 1.861 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418419454 446538791 /nfs/dbraw/zinc/53/87/91/446538791.db2.gz XLZCSGKFKXEODQ-HZPDHXFCSA-N 2 0 327.517 1.029 20 0 EDADRP COC(=O)[C@@H]1CC12CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420362425 446542133 /nfs/dbraw/zinc/54/21/33/446542133.db2.gz OEUUGKSXCRIXNT-ULQDDVLXSA-N 2 0 332.444 1.192 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000433169812 446543745 /nfs/dbraw/zinc/54/37/45/446543745.db2.gz SVVHCZNRQWFVBL-UHFFFAOYSA-N 2 0 333.411 1.522 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000453198622 446550184 /nfs/dbraw/zinc/55/01/84/446550184.db2.gz QCSFBKUYMPVZLJ-BEFAXECRSA-N 2 0 326.444 1.764 20 0 EDADRP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2CN[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000423480351 446551742 /nfs/dbraw/zinc/55/17/42/446551742.db2.gz VUCVCDDZTDQGQA-BTHPGYMESA-N 2 0 347.478 1.875 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)CC1 ZINC000420381917 446557146 /nfs/dbraw/zinc/55/71/46/446557146.db2.gz CXFHQWRSEWKIKD-WMZOPIPTSA-N 2 0 336.524 1.439 20 0 EDADRP COCC[NH2+]CCNC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418504256 446569459 /nfs/dbraw/zinc/56/94/59/446569459.db2.gz ASXHZZRJSFKBRV-IRXDYDNUSA-N 2 0 348.491 1.527 20 0 EDADRP C[C@@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1C[NH2+]C1 ZINC000367649307 446572007 /nfs/dbraw/zinc/57/20/07/446572007.db2.gz RNOPAPJOSQYMFS-OAHLLOKOSA-N 2 0 337.508 1.772 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCCc3ccccc3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000420406589 446580579 /nfs/dbraw/zinc/58/05/79/446580579.db2.gz RBEVEHBKTQPYFG-RBUKOAKNSA-N 2 0 342.487 1.839 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418532429 446583497 /nfs/dbraw/zinc/58/34/97/446583497.db2.gz SVDVJZFUBXBUPF-KFWWJZLASA-N 2 0 326.485 1.255 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1CC ZINC000418558363 446593919 /nfs/dbraw/zinc/59/39/19/446593919.db2.gz XKFDLXCASPRDIG-WMZOPIPTSA-N 2 0 340.512 1.518 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)CC2 ZINC000423595979 446594567 /nfs/dbraw/zinc/59/45/67/446594567.db2.gz QWBFWQMATNLYND-HZPDHXFCSA-N 2 0 347.459 1.448 20 0 EDADRP CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000453688793 446600482 /nfs/dbraw/zinc/60/04/82/446600482.db2.gz FQEBBELKRUUGQZ-MRXNPFEDSA-N 2 0 332.448 1.194 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000418589204 446604992 /nfs/dbraw/zinc/60/49/92/446604992.db2.gz INSHPDFHSJPCTC-PBHICJAKSA-N 2 0 336.455 1.897 20 0 EDADRP CCc1ccc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1CC ZINC000420458383 446636577 /nfs/dbraw/zinc/63/65/77/446636577.db2.gz PNXOJHTUZKHQSQ-UHFFFAOYSA-N 2 0 327.494 1.500 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000418661074 446638987 /nfs/dbraw/zinc/63/89/87/446638987.db2.gz ZVHGZDMXFTVZDJ-BFYDXBDKSA-N 2 0 334.464 1.397 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000368103214 446642996 /nfs/dbraw/zinc/64/29/96/446642996.db2.gz UAQSBSOEDUBAHB-CVEARBPZSA-N 2 0 339.480 1.012 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000418675199 446643706 /nfs/dbraw/zinc/64/37/06/446643706.db2.gz QNRDCEZTQJOJLG-UHFFFAOYSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000418683159 446647139 /nfs/dbraw/zinc/64/71/39/446647139.db2.gz JBPUOJVYUZNSGD-AYOQOUSVSA-N 2 0 342.487 1.868 20 0 EDADRP CN(C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000418692080 446650920 /nfs/dbraw/zinc/65/09/20/446650920.db2.gz ZSQBXWKGMJPSLA-FGTMMUONSA-N 2 0 328.460 1.620 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418694885 446651673 /nfs/dbraw/zinc/65/16/73/446651673.db2.gz WPPCNDCXWFVAAI-HRCADAONSA-N 2 0 340.512 1.645 20 0 EDADRP O=C(COC1CC[NH2+]CC1)N1CCN(Cc2cccc(F)c2)CC1 ZINC000423709679 446651867 /nfs/dbraw/zinc/65/18/67/446651867.db2.gz IVPYQOSGKCLERA-UHFFFAOYSA-N 2 0 335.423 1.239 20 0 EDADRP C[C@@H](NC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418702717 446655312 /nfs/dbraw/zinc/65/53/12/446655312.db2.gz HHRNIYCAXZNDAC-LVQVYYBASA-N 2 0 340.512 1.643 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418737679 446660304 /nfs/dbraw/zinc/66/03/04/446660304.db2.gz YKZPPQVZEAUIGA-JYJNAYRXSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1)C1CC[NH2+]CC1 ZINC000423733335 446667770 /nfs/dbraw/zinc/66/77/70/446667770.db2.gz PQVWEBGJSFSWHH-OAHLLOKOSA-N 2 0 345.491 1.798 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000368042754 446621366 /nfs/dbraw/zinc/62/13/66/446621366.db2.gz OGPKNZXHAYVYPQ-KURKYZTESA-N 2 0 325.497 1.188 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418627799 446621481 /nfs/dbraw/zinc/62/14/81/446621481.db2.gz OCANICGRIXGPHX-NXHRZFHOSA-N 2 0 330.476 1.758 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418632751 446623751 /nfs/dbraw/zinc/62/37/51/446623751.db2.gz HQVJYCUOMHLIBJ-MSOLQXFVSA-N 2 0 330.476 1.855 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([NH3+])[C@H]3C)CC2)c1 ZINC000423646314 446623776 /nfs/dbraw/zinc/62/37/76/446623776.db2.gz LSUYEDUHKDERPB-SJLPKXTDSA-N 2 0 330.476 1.455 20 0 EDADRP CNC(=O)NC(=O)CN1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371096683 446626527 /nfs/dbraw/zinc/62/65/27/446626527.db2.gz BBDXEOGVTVZYOG-INIZCTEOSA-N 2 0 332.448 1.429 20 0 EDADRP COC[C@]1(CNC(=O)N2CC([N@H+](C)Cc3ccccc3)C2)CCC[NH2+]1 ZINC000418654733 446635257 /nfs/dbraw/zinc/63/52/57/446635257.db2.gz MPXMUZMHTLWICC-LJQANCHMSA-N 2 0 346.475 1.281 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000418774730 446693133 /nfs/dbraw/zinc/69/31/33/446693133.db2.gz VVTXTTJFZIEXFN-ZIAGYGMSSA-N 2 0 348.438 1.126 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000371291077 446747689 /nfs/dbraw/zinc/74/76/89/446747689.db2.gz XPRMZXABBQZBLP-MRXNPFEDSA-N 3 0 339.528 1.137 20 0 EDADRP COc1ccc([C@@H](C[NH+]2CCCC2)NC(=O)[C@@H]([NH3+])CC(F)F)cc1 ZINC000423894268 446748793 /nfs/dbraw/zinc/74/87/93/446748793.db2.gz LWWCYRXQMKMCLL-LSDHHAIUSA-N 2 0 341.402 1.931 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)c3ccc4c(c3)CC[NH2+]CC4)CC[C@H]21 ZINC000423895651 446750333 /nfs/dbraw/zinc/75/03/33/446750333.db2.gz GCIZDARYDTWHDI-RBUKOAKNSA-N 2 0 327.472 1.931 20 0 EDADRP CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[C@@H](C)[NH3+] ZINC000423930677 446781859 /nfs/dbraw/zinc/78/18/59/446781859.db2.gz LGRBZXBVHRCMCR-MXSMSXNCSA-N 2 0 349.523 1.881 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CCCCCC1 ZINC000418902593 446785321 /nfs/dbraw/zinc/78/53/21/446785321.db2.gz QAWLMONFGLQBPK-HUUCEWRRSA-N 2 0 338.496 1.143 20 0 EDADRP COCCn1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cn1 ZINC000371338030 446787283 /nfs/dbraw/zinc/78/72/83/446787283.db2.gz XZPOEMVXFLDADY-GOSISDBHSA-N 2 0 335.496 1.130 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000371342054 446790220 /nfs/dbraw/zinc/79/02/20/446790220.db2.gz UKRUMWGAMVPTAD-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP C[N@@H+]1CCCC12CCN(C(=O)[C@@H]1COCCN1CC1CCC1)CC2 ZINC000376987242 446841818 /nfs/dbraw/zinc/84/18/18/446841818.db2.gz HHDMSECEDNJDOH-KRWDZBQOSA-N 2 0 335.492 1.574 20 0 EDADRP CCN(CCCNC(=O)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000418994033 446852490 /nfs/dbraw/zinc/85/24/90/446852490.db2.gz AYIYBPJNZOECSO-CVEARBPZSA-N 2 0 346.475 1.263 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCO[C@@H]3CCCC[C@H]31)CC[NH2+]CC2 ZINC000424284596 446865789 /nfs/dbraw/zinc/86/57/89/446865789.db2.gz DHEAFWZWNVTYJS-BRWVUGGUSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000419018009 446869659 /nfs/dbraw/zinc/86/96/59/446869659.db2.gz BICLFGVWELMAPM-HUUCEWRRSA-N 2 0 340.512 1.103 20 0 EDADRP Cc1n[nH]c(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n1 ZINC000375594615 446914026 /nfs/dbraw/zinc/91/40/26/446914026.db2.gz BEGVRWORECPYIW-UHFFFAOYSA-N 2 0 334.512 1.709 20 0 EDADRP CC1(C[NH+]2CCOCC2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000377096011 446915878 /nfs/dbraw/zinc/91/58/78/446915878.db2.gz WYTAYRURMALNKV-UHFFFAOYSA-N 2 0 349.519 1.822 20 0 EDADRP [NH2+]=C(NO)[C@H]1CCCCN1C/C=C/CN1CCCC[C@@H]1C(=[NH2+])NO ZINC000368525540 446922014 /nfs/dbraw/zinc/92/20/14/446922014.db2.gz PGCWCIWTCXNDFT-QAMKJQMISA-N 2 0 338.456 1.164 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)ccn1 ZINC000371545013 446924250 /nfs/dbraw/zinc/92/42/50/446924250.db2.gz GYKHNLPIAQMIPS-GOEBONIOSA-N 2 0 332.448 1.188 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[C@@H]1C[NH3+])CC(C)C ZINC000419123900 446938117 /nfs/dbraw/zinc/93/81/17/446938117.db2.gz HHEBRSVOPJJQME-OWCLPIDISA-N 2 0 340.512 1.103 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371765475 446959973 /nfs/dbraw/zinc/95/99/73/446959973.db2.gz LGGDWJKUJIBBLM-YESZJQIVSA-N 2 0 338.496 1.080 20 0 EDADRP C[C@]1(O)CCC[N@H+](CC(=O)N2CCN(Cc3ccco3)CC2)CC1 ZINC000375679062 446969806 /nfs/dbraw/zinc/96/98/06/446969806.db2.gz NNYIIQNFPOMXTN-SFHVURJKSA-N 2 0 335.448 1.161 20 0 EDADRP COCC[C@@]1(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)CC[NH2+]C1 ZINC000372118343 447013511 /nfs/dbraw/zinc/01/35/11/447013511.db2.gz GRXGMNMFICDSJA-SFHVURJKSA-N 2 0 325.497 1.583 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000419175405 446990602 /nfs/dbraw/zinc/99/06/02/446990602.db2.gz XHXZBSWHPCTPEU-HNNXBMFYSA-N 2 0 340.512 1.201 20 0 EDADRP CN(CC[NH3+])C(=O)C(=O)NCc1ccccc1C[NH+]1CCCCCC1 ZINC000419278952 447052025 /nfs/dbraw/zinc/05/20/25/447052025.db2.gz BSHJQLWXZBIOIM-UHFFFAOYSA-N 2 0 346.475 1.096 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000455422489 447126198 /nfs/dbraw/zinc/12/61/98/447126198.db2.gz ADKSGEWDPNBYQU-NUEKZKHPSA-N 2 0 326.485 1.004 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CN(c3cc[nH+]c4ccccc43)CCO2)CC1 ZINC000375983706 447190852 /nfs/dbraw/zinc/19/08/52/447190852.db2.gz FNNBIAIYIUEWQW-MRXNPFEDSA-N 2 0 326.444 1.687 20 0 EDADRP C[NH+]1CCC(CNc2cc[nH+]c3ccccc23)(N2CCOCC2)CC1 ZINC000413480349 447195057 /nfs/dbraw/zinc/19/50/57/447195057.db2.gz LPAXXVOEZWGVGY-UHFFFAOYSA-N 2 0 340.471 1.865 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000377555553 447201545 /nfs/dbraw/zinc/20/15/45/447201545.db2.gz VBAHEVLCNMDSAH-UYSNPLJNSA-N 2 0 339.480 1.426 20 0 EDADRP CN(C(=O)NC1CC[NH+](C)CC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000368922776 447203722 /nfs/dbraw/zinc/20/37/22/447203722.db2.gz MVVXBIRUKXIUEV-UHFFFAOYSA-N 2 0 345.491 1.782 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000419478378 447210893 /nfs/dbraw/zinc/21/08/93/447210893.db2.gz JJRLPJZKHCUVEY-HOTGVXAUSA-N 2 0 340.512 1.247 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)C[C@H]1C ZINC000419511223 447234087 /nfs/dbraw/zinc/23/40/87/447234087.db2.gz HWBVUKDLGVVKFG-BZUAXINKSA-N 2 0 328.501 1.203 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C)nc2C)C[C@@H]1C ZINC000447233399 447270053 /nfs/dbraw/zinc/27/00/53/447270053.db2.gz ZJLIXEHHOZFXOU-DZGCQCFKSA-N 2 0 332.448 1.968 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000422005430 447304642 /nfs/dbraw/zinc/30/46/42/447304642.db2.gz IXLLNYQXVQDFGO-UHFFFAOYSA-N 2 0 345.491 1.436 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415468592 447459538 /nfs/dbraw/zinc/45/95/38/447459538.db2.gz KHLMOQGRXJSHTK-UHFFFAOYSA-N 2 0 346.475 1.507 20 0 EDADRP COc1cc2c(cc1C[N@@H+]1CC[C@@H](N3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000392182015 447521565 /nfs/dbraw/zinc/52/15/65/447521565.db2.gz CWXDDOVNNQZRGW-WMLDXEAASA-N 2 0 331.460 1.498 20 0 EDADRP CN1C[C@H](C[N@H+](C)CCN2CC[NH+](Cc3ccccc3)CC2)OC1=O ZINC000495596913 447521912 /nfs/dbraw/zinc/52/19/12/447521912.db2.gz SOMIPKUFYUNABO-SFHVURJKSA-N 2 0 346.475 1.187 20 0 EDADRP CC[C@H](C)[C@@H](CNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)OC ZINC000458972109 447522357 /nfs/dbraw/zinc/52/23/57/447522357.db2.gz PHYBUAHJLYAINP-DOTOQJQBSA-N 2 0 342.528 1.715 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)CC1 ZINC000396432539 447544911 /nfs/dbraw/zinc/54/49/11/447544911.db2.gz VEZVLSPMIDNWJF-NXVRBGIVSA-N 2 0 326.481 1.791 20 0 EDADRP CC(C)C[C@H](CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000420020535 447549980 /nfs/dbraw/zinc/54/99/80/447549980.db2.gz FRBPKKOXYZYBTM-ZMSDIMECSA-N 2 0 348.491 1.332 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1CC[NH2+]CC1 ZINC000398104269 447557026 /nfs/dbraw/zinc/55/70/26/447557026.db2.gz AZMFDAIWHKFNCB-LPHOPBHVSA-N 2 0 345.487 1.782 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000416853703 447696407 /nfs/dbraw/zinc/69/64/07/447696407.db2.gz UHRVQGDOGHMDNR-NVXWUHKLSA-N 2 0 346.475 1.741 20 0 EDADRP CCCN(C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1)[C@H]1CC[NH2+]C1 ZINC000416861936 447697511 /nfs/dbraw/zinc/69/75/11/447697511.db2.gz FKXSORUALBPSJI-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCCC1)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000416906097 447703783 /nfs/dbraw/zinc/70/37/83/447703783.db2.gz RYMRKJJLXBKGRA-MSOLQXFVSA-N 2 0 346.475 1.052 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000428341546 447691002 /nfs/dbraw/zinc/69/10/02/447691002.db2.gz XKRPVJIUGHYRMQ-UHFFFAOYSA-N 2 0 342.509 1.284 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@H](C[NH3+])C2CCCCC2)C[C@@H](C)O1 ZINC000416936506 447714539 /nfs/dbraw/zinc/71/45/39/447714539.db2.gz BUHZFNPJUXESHM-BFYDXBDKSA-N 2 0 340.512 1.693 20 0 EDADRP CC(C)CN(CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cnn(C)c1 ZINC000459598752 447716973 /nfs/dbraw/zinc/71/69/73/447716973.db2.gz VYLQAEDWBVJBIQ-UHFFFAOYSA-N 2 0 349.523 1.867 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCC(=O)N[C@H](C)CC)CC[NH2+]CC1 ZINC000422699284 447719837 /nfs/dbraw/zinc/71/98/37/447719837.db2.gz CWCZUTIZWBQXTH-ZIAGYGMSSA-N 2 0 327.469 1.202 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722710 447729013 /nfs/dbraw/zinc/72/90/13/447729013.db2.gz YOLBIOZSRNUROA-MISYRCLQSA-N 2 0 331.504 1.908 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000429186342 447734057 /nfs/dbraw/zinc/73/40/57/447734057.db2.gz WYMIVUIUJROXQK-SFHVURJKSA-N 2 0 332.492 1.688 20 0 EDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000422739446 447734404 /nfs/dbraw/zinc/73/44/04/447734404.db2.gz LHZZRYAOIDZDOA-YLJYHZDGSA-N 3 0 332.536 1.808 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000496186143 447737672 /nfs/dbraw/zinc/73/76/72/447737672.db2.gz MWOKVQDXWUUAHR-AWEZNQCLSA-N 2 0 339.484 1.453 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000422757061 447741908 /nfs/dbraw/zinc/74/19/08/447741908.db2.gz JGVZIZWQOJXBQM-IEZWGBDMSA-N 2 0 333.476 1.656 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C[NH+]1CCCCC1 ZINC000496229742 447745958 /nfs/dbraw/zinc/74/59/58/447745958.db2.gz SJENWJGWULAIIM-JKSUJKDBSA-N 2 0 343.512 1.926 20 0 EDADRP COCCS(=O)(=O)c1ccc(CN[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000429431356 447748064 /nfs/dbraw/zinc/74/80/64/447748064.db2.gz YWDMHLZBFYIWSC-HOCLYGCPSA-N 2 0 340.489 1.679 20 0 EDADRP CN(C[C@@](C)(O)C[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1)C(=O)OC(C)(C)C ZINC000496535931 447811640 /nfs/dbraw/zinc/81/16/40/447811640.db2.gz UEODFDANHAKHJT-QZTJIDSGSA-N 2 0 341.496 1.632 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CN1C(=O)OC(C)(C)C ZINC000496545408 447815124 /nfs/dbraw/zinc/81/51/24/447815124.db2.gz GDLBNNMEWIBARN-PMPSAXMXSA-N 2 0 341.496 1.821 20 0 EDADRP COCc1ccc(CNC(=O)C[NH+]2CCC(OCCC[NH3+])CC2)cc1 ZINC000430551621 447776625 /nfs/dbraw/zinc/77/66/25/447776625.db2.gz MFLWNOSLBKDLLR-UHFFFAOYSA-N 2 0 349.475 1.279 20 0 EDADRP O=C(C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NCC(F)(F)F ZINC000422938971 447777145 /nfs/dbraw/zinc/77/71/45/447777145.db2.gz FHWAJHZSHHVPFC-SWLSCSKDSA-N 2 0 343.349 1.510 20 0 EDADRP Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430557180 447778329 /nfs/dbraw/zinc/77/83/29/447778329.db2.gz NBERHICEYVLRAM-MRXNPFEDSA-N 2 0 333.476 1.830 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@H]3CCCC[C@H]3C[NH3+])C2)nc1 ZINC000423030548 447794595 /nfs/dbraw/zinc/79/45/95/447794595.db2.gz KAOAWLCZIARKMG-BBRMVZONSA-N 2 0 332.448 1.554 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@H](C)O ZINC000462523326 447799305 /nfs/dbraw/zinc/79/93/05/447799305.db2.gz FKYNZEZKTFQWTJ-PMPSAXMXSA-N 2 0 328.501 1.202 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423094833 447803869 /nfs/dbraw/zinc/80/38/69/447803869.db2.gz CUPZKJCYOPKLLL-RISCZKNCSA-N 2 0 347.431 1.350 20 0 EDADRP CCN1CCO[C@@H](C[NH2+][C@@H](CCC[NH3+])COC)[C@@H]1c1ccccc1 ZINC000423106102 447806113 /nfs/dbraw/zinc/80/61/13/447806113.db2.gz OGYVGPOVNQWJQU-FHWLQOOXSA-N 2 0 335.492 1.792 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000497108796 447861155 /nfs/dbraw/zinc/86/11/55/447861155.db2.gz QEJHTYGNSUDTGO-DZGCQCFKSA-N 2 0 327.469 1.454 20 0 EDADRP CCOc1ccc(CNCCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1F ZINC000487328618 447829375 /nfs/dbraw/zinc/82/93/75/447829375.db2.gz VYHPBSCZYXROQT-OAHLLOKOSA-N 2 0 337.439 1.901 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000575801816 447901185 /nfs/dbraw/zinc/90/11/85/447901185.db2.gz NCVHACPVKBICOY-OKZBNKHCSA-N 2 0 330.476 1.927 20 0 EDADRP Cn1ncc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnc21 ZINC000530621336 447927720 /nfs/dbraw/zinc/92/77/20/447927720.db2.gz AZJNNNWESOGNBX-UHFFFAOYSA-N 2 0 346.479 1.314 20 0 EDADRP CN(C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@H+](C)C1 ZINC000531059425 448011647 /nfs/dbraw/zinc/01/16/47/448011647.db2.gz MRQSXPTVWPTKGH-MJGOQNOKSA-N 2 0 331.460 1.176 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000531061752 448011848 /nfs/dbraw/zinc/01/18/48/448011848.db2.gz ZKVSIQFNZBPGLF-FQEVSTJZSA-N 2 0 345.487 1.424 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000576285623 448019338 /nfs/dbraw/zinc/01/93/38/448019338.db2.gz OOKABJBIVXICAT-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP CCN(CC)C(=O)OC[C@H]1CCCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000496906581 448023455 /nfs/dbraw/zinc/02/34/55/448023455.db2.gz GHMONSIOQAMXMS-IAGOWNOFSA-N 2 0 341.496 1.774 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000525837452 448037256 /nfs/dbraw/zinc/03/72/56/448037256.db2.gz MPZYOWVQOGBLMJ-INIZCTEOSA-N 2 0 328.526 1.549 20 0 EDADRP CNC(=O)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])Cc1ccc(OC)c(F)c1 ZINC000570721752 448054643 /nfs/dbraw/zinc/05/46/43/448054643.db2.gz CGDVIKPVXPEBDG-YCPHGPKFSA-N 2 0 337.439 1.456 20 0 EDADRP C[C@H](NC(=O)c1ccn(CC[NH+](C)C)n1)[C@H](c1ccccc1)[NH+](C)C ZINC000570823932 448069813 /nfs/dbraw/zinc/06/98/13/448069813.db2.gz NZAMKSPOWHTWDG-MAUKXSAKSA-N 2 0 343.475 1.866 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)[NH+](C)C1 ZINC000503765252 448106483 /nfs/dbraw/zinc/10/64/83/448106483.db2.gz NINVCXVFRNEYGP-OKZBNKHCSA-N 2 0 337.508 1.961 20 0 EDADRP CC(C)[C@H]1C[C@@H](CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CCO1 ZINC000576921488 448169373 /nfs/dbraw/zinc/16/93/73/448169373.db2.gz AKQMZFKFYDEGTH-DLBZAZTESA-N 2 0 342.528 1.572 20 0 EDADRP C[NH+](C)CCN(C(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CC1 ZINC000571831459 448213003 /nfs/dbraw/zinc/21/30/03/448213003.db2.gz OSEPPLQMCJKXQN-KRWDZBQOSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230840 448218909 /nfs/dbraw/zinc/21/89/09/448218909.db2.gz IMTBNLAHINXRDJ-SJLPKXTDSA-N 2 0 332.492 1.338 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H]2C[C@@H](OC)C[NH2+]2)[NH+]2CCCC2)cc1 ZINC000515064030 448253743 /nfs/dbraw/zinc/25/37/43/448253743.db2.gz YBTUBBJCGNUXPA-KZNAEPCWSA-N 2 0 347.459 1.325 20 0 EDADRP Cc1cccc(C)c1OC[C@H](O)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000515467267 448317413 /nfs/dbraw/zinc/31/74/13/448317413.db2.gz VWPLVYWNHVDHCT-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)c(SC)cc1OC ZINC000577513327 448318858 /nfs/dbraw/zinc/31/88/58/448318858.db2.gz ZDTVDOYUCOYSQC-UHFFFAOYSA-N 2 0 339.505 1.763 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[N@@H+]1C1CC1 ZINC000515504725 448323999 /nfs/dbraw/zinc/32/39/99/448323999.db2.gz DELDBAUTSSNORH-FRFSOERESA-N 2 0 337.533 1.945 20 0 EDADRP Cc1nn(CC(=O)OC(C)C)c(C)c1C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000591281835 448305193 /nfs/dbraw/zinc/30/51/93/448305193.db2.gz OATHNBYKDOGKQZ-MRXNPFEDSA-N 2 0 334.464 1.683 20 0 EDADRP NC(=O)c1c[nH+]ccc1NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000572343351 448350626 /nfs/dbraw/zinc/35/06/26/448350626.db2.gz TXPXLMIGZKZJAS-UHFFFAOYSA-N 2 0 340.427 1.041 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCCC2)c1 ZINC000591418231 448357133 /nfs/dbraw/zinc/35/71/33/448357133.db2.gz UNESNPVCMWVXGT-SJLPKXTDSA-N 2 0 331.460 1.900 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(C)CCC[NH+](C)C ZINC000572388591 448366134 /nfs/dbraw/zinc/36/61/34/448366134.db2.gz KISSGZKACLFRCQ-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000572282928 448336722 /nfs/dbraw/zinc/33/67/22/448336722.db2.gz WQXNFYWBDKXQQG-QGZVFWFLSA-N 2 0 332.448 1.009 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000577759275 448382193 /nfs/dbraw/zinc/38/21/93/448382193.db2.gz YSMPMGCZBFFPJS-IEBWSBKVSA-N 2 0 331.460 1.252 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NC)CC[NH2+]CC1 ZINC000591573575 448392815 /nfs/dbraw/zinc/39/28/15/448392815.db2.gz NIGLBPHIBRRWEN-KGLIPLIRSA-N 2 0 327.469 1.058 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@@H]3CCCC[C@@H]3[NH3+])ccn2)CC1 ZINC000566168042 448401585 /nfs/dbraw/zinc/40/15/85/448401585.db2.gz OGHYOGKXGIWITR-IRXDYDNUSA-N 2 0 345.491 1.357 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CSC)CC1 ZINC000572631473 448428355 /nfs/dbraw/zinc/42/83/55/448428355.db2.gz UCUVDZYJLKPMTI-SFHVURJKSA-N 2 0 337.533 1.638 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000591709259 448464037 /nfs/dbraw/zinc/46/40/37/448464037.db2.gz LWHQKWFLTRHJDG-UHFFFAOYSA-N 2 0 329.492 1.937 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000572856007 448482117 /nfs/dbraw/zinc/48/21/17/448482117.db2.gz UURZNMSQGQWRFJ-CABCVRRESA-N 2 0 326.462 1.466 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000572856008 448482874 /nfs/dbraw/zinc/48/28/74/448482874.db2.gz UURZNMSQGQWRFJ-GJZGRUSLSA-N 2 0 326.462 1.466 20 0 EDADRP CC(C)([NH3+])c1nocc1C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000566473546 448486691 /nfs/dbraw/zinc/48/66/91/448486691.db2.gz INJSXWSWUWWDAY-CQSZACIVSA-N 2 0 328.416 1.873 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000566444447 448472983 /nfs/dbraw/zinc/47/29/83/448472983.db2.gz NLQINTOZZPARFX-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C[C@H](C)O1 ZINC000572956889 448505476 /nfs/dbraw/zinc/50/54/76/448505476.db2.gz QDRBGXXUJDEZBD-ADHGMGHFSA-N 2 0 337.508 1.994 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000517225556 448556745 /nfs/dbraw/zinc/55/67/45/448556745.db2.gz NTDUHIUQADEAMV-MXSMSXNCSA-N 2 0 330.476 1.804 20 0 EDADRP O[C@@H](COCc1ccccc1F)C[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000567101179 448612051 /nfs/dbraw/zinc/61/20/51/448612051.db2.gz PURSYISYBPXGJZ-OAHLLOKOSA-N 2 0 334.395 1.249 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H](C)O)C[C@@H]1C ZINC000517414799 448581358 /nfs/dbraw/zinc/58/13/58/448581358.db2.gz BPKARGDPOGRAAD-GVDBMIGSSA-N 2 0 340.512 1.203 20 0 EDADRP O=C(NC1CC([NH+]2CCCCC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000566913437 448584237 /nfs/dbraw/zinc/58/42/37/448584237.db2.gz CBGVKFDCGVWJIK-AQFXKWCLSA-N 2 0 331.464 1.554 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000566981178 448596164 /nfs/dbraw/zinc/59/61/64/448596164.db2.gz ZYWNRHHXUSVSAG-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000573474373 448638045 /nfs/dbraw/zinc/63/80/45/448638045.db2.gz SMEOAHRHVBHOHM-SJLPKXTDSA-N 2 0 330.476 1.572 20 0 EDADRP CO[C@@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000584834445 448647818 /nfs/dbraw/zinc/64/78/18/448647818.db2.gz ORQOSLZXHLWKQQ-SJORKVTESA-N 2 0 341.883 1.225 20 0 EDADRP Cc1cccc([C@@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)N2CCOCC2)c1 ZINC000573547890 448654724 /nfs/dbraw/zinc/65/47/24/448654724.db2.gz SODMADYMOWHAAR-QZTJIDSGSA-N 2 0 346.475 1.420 20 0 EDADRP CCCNC(=O)CCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000584847850 448655547 /nfs/dbraw/zinc/65/55/47/448655547.db2.gz YPLSSSYLTRGNBL-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000578882907 448662527 /nfs/dbraw/zinc/66/25/27/448662527.db2.gz PKCQFHNCXYBYTF-YTQUADARSA-N 2 0 327.472 1.919 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000573442039 448628224 /nfs/dbraw/zinc/62/82/24/448628224.db2.gz SOOPSEXTSIAJAT-GOSISDBHSA-N 2 0 337.508 1.770 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@H](c2ccccc2)c2cncnc2)CC1 ZINC000541749411 448690775 /nfs/dbraw/zinc/69/07/75/448690775.db2.gz NOWBVUQVTPTWRD-LJQANCHMSA-N 2 0 325.460 1.793 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000579001216 448691032 /nfs/dbraw/zinc/69/10/32/448691032.db2.gz IYUUPOLNNUSGDM-ZDUSSCGKSA-N 2 0 346.431 1.436 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@H]2[N@H+](C)CCCC2(C)C)CCC[NH2+]1 ZINC000573786131 448710906 /nfs/dbraw/zinc/71/09/06/448710906.db2.gz AMRQRWLCJUVBSA-RHSMWYFYSA-N 2 0 326.485 1.175 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+]2CCCC2)c1 ZINC000573785401 448710934 /nfs/dbraw/zinc/71/09/34/448710934.db2.gz VEXMXOFJURCLKK-XDNAFOTISA-N 2 0 344.459 1.349 20 0 EDADRP O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NC(=O)NCc1ccccc1 ZINC000579100427 448713919 /nfs/dbraw/zinc/71/39/19/448713919.db2.gz YYCCQPHGAHPWIE-SJORKVTESA-N 2 0 344.459 1.476 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCCN(C(=O)c2cccc(C)c2)CC1 ZINC000567363755 448676490 /nfs/dbraw/zinc/67/64/90/448676490.db2.gz TVNVUAOKABBFLH-GOSISDBHSA-N 2 0 333.476 1.456 20 0 EDADRP c1ccc(-n2nnnc2CCN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1 ZINC000519365273 448761830 /nfs/dbraw/zinc/76/18/30/448761830.db2.gz FNJWIUAONHPUDQ-DLBZAZTESA-N 2 0 326.448 1.811 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CCN1CC(=O)NCc1ccccc1Cn1cccn1 ZINC000579138185 448726053 /nfs/dbraw/zinc/72/60/53/448726053.db2.gz NTHFMSXVXGBDOC-CRAIPNDOSA-N 2 0 341.459 1.359 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[NH+]2CC=C(C)CC2)CC[N@@H+]1C[C@@H](C)O ZINC000545884207 448805735 /nfs/dbraw/zinc/80/57/35/448805735.db2.gz PUZMHNYRBHPGKQ-IAGOWNOFSA-N 2 0 338.496 1.125 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000519635123 448807005 /nfs/dbraw/zinc/80/70/05/448807005.db2.gz UZEHVBGJQYSIHD-DOTOQJQBSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)COc1ccccc1Cl ZINC000568078150 448812421 /nfs/dbraw/zinc/81/24/21/448812421.db2.gz HTNVVDBXAKOWBZ-CABCVRRESA-N 2 0 341.883 1.305 20 0 EDADRP CC(C)[C@H]1C[NH2+]CCN1C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000529302779 448813061 /nfs/dbraw/zinc/81/30/61/448813061.db2.gz ZUOMIIZLQPEYLO-QGZVFWFLSA-N 2 0 348.491 1.766 20 0 EDADRP CN1CCN(C(=O)Nc2ccccc2C(=O)N2CCCC2)[C@H](C[NH3+])C1 ZINC000519529278 448777957 /nfs/dbraw/zinc/77/79/57/448777957.db2.gz QEGJEMBYICETLT-CQSZACIVSA-N 2 0 345.447 1.029 20 0 EDADRP C[C@H](CNC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[N@H+](C)C1CC1 ZINC000529309863 448816969 /nfs/dbraw/zinc/81/69/69/448816969.db2.gz YQZWDGPIFDWZAD-RHSMWYFYSA-N 2 0 338.496 1.269 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC[N@H+]3CC=CCC3)CC2)CC1 ZINC000574291280 448838790 /nfs/dbraw/zinc/83/87/90/448838790.db2.gz DBXYWSAMYQKNSI-UHFFFAOYSA-N 2 0 348.535 1.561 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2cccc([N+](=O)[O-])c2)C1 ZINC000568254772 448847572 /nfs/dbraw/zinc/84/75/72/448847572.db2.gz NHCGMTPLCMBLKN-HOCLYGCPSA-N 2 0 337.420 1.656 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@@H]2COCC[NH2+]2)C1 ZINC000529381834 448850373 /nfs/dbraw/zinc/85/03/73/448850373.db2.gz ROEFOTJEOBXTAO-BRWVUGGUSA-N 2 0 338.496 1.271 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)C2)nc1 ZINC000592471101 448852054 /nfs/dbraw/zinc/85/20/54/448852054.db2.gz XYWFLXZGKHZILE-VNQPRFMTSA-N 2 0 344.459 1.425 20 0 EDADRP C[N@H+](C[C@H](O)CN[C@H]1CCCN(c2ccccc2F)C1=O)C1CC1 ZINC000579702447 448856155 /nfs/dbraw/zinc/85/61/55/448856155.db2.gz UYKUNTZVUSGKPP-ZBFHGGJFSA-N 2 0 335.423 1.366 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCC[NH2+]1 ZINC000592558639 448900763 /nfs/dbraw/zinc/90/07/63/448900763.db2.gz KWMIWUQAXHIRSM-LSDHHAIUSA-N 2 0 325.453 1.005 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)C1CC(F)(F)C1 ZINC000529604966 448904760 /nfs/dbraw/zinc/90/47/60/448904760.db2.gz IAGHQVOJKKEQDG-AWEZNQCLSA-N 2 0 331.451 1.806 20 0 EDADRP COCCN(C)C[C@H](O)C[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000574528823 448896143 /nfs/dbraw/zinc/89/61/43/448896143.db2.gz OJWDQKTYVBLFET-OAGGEKHMSA-N 2 0 344.496 1.225 20 0 EDADRP C/C=C\c1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000574782256 448955634 /nfs/dbraw/zinc/95/56/34/448955634.db2.gz VCSYETOAVCXOTP-SREVYHEPSA-N 2 0 346.475 1.610 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC(CC[NH3+])CC2)C1 ZINC000575065258 449028305 /nfs/dbraw/zinc/02/83/05/449028305.db2.gz CJXYHBIAPWPOSI-MRXNPFEDSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)([NH+](C)C)C1 ZINC000592956485 449076612 /nfs/dbraw/zinc/07/66/12/449076612.db2.gz HEKIFGBSDVVLNL-CLCXKQKWSA-N 2 0 347.507 1.960 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2)c1ccccc1 ZINC000592956851 449077681 /nfs/dbraw/zinc/07/76/81/449077681.db2.gz ZZQBHNWZYIXIGD-NVXWUHKLSA-N 2 0 341.459 1.752 20 0 EDADRP Cc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c(C)c(C)[nH+]1 ZINC000582370614 449078879 /nfs/dbraw/zinc/07/88/79/449078879.db2.gz VHCVRHRAZGOUBN-KRWDZBQOSA-N 2 0 349.475 1.859 20 0 EDADRP CN1CCN(C(=O)Nc2ccc3nnc(C4CCC4)n3c2)[C@H](C[NH3+])C1 ZINC000582229428 449041952 /nfs/dbraw/zinc/04/19/52/449041952.db2.gz QZJPJLLQKGWSPO-CQSZACIVSA-N 2 0 343.435 1.103 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](C[NH3+])C2)C[N@@H+]1Cc1ccccc1 ZINC000569578062 449047762 /nfs/dbraw/zinc/04/77/62/449047762.db2.gz GZSCRUKNFPJQOA-PVAVHDDUSA-N 2 0 332.448 1.019 20 0 EDADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)CC[NH2+]C2CC2)c1 ZINC000582311664 449064151 /nfs/dbraw/zinc/06/41/51/449064151.db2.gz TXFWKPBOWJPWMN-INIZCTEOSA-N 2 0 330.432 1.217 20 0 EDADRP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000595891519 449235842 /nfs/dbraw/zinc/23/58/42/449235842.db2.gz INTOMHQTRJKLLH-ZACQAIPSSA-N 2 0 336.476 1.951 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1 ZINC000604654798 449269292 /nfs/dbraw/zinc/26/92/92/449269292.db2.gz QQHWDUIHQWEUHS-KRWDZBQOSA-N 2 0 339.528 1.140 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000595961205 449283196 /nfs/dbraw/zinc/28/31/96/449283196.db2.gz JLLFKQHGQYFKAE-KBPBESRZSA-N 2 0 333.480 1.569 20 0 EDADRP C[C@H](NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000606632896 449493861 /nfs/dbraw/zinc/49/38/61/449493861.db2.gz XEQIUAFLTQJQGC-XHSDSOJGSA-N 2 0 340.512 1.515 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000606685248 449504180 /nfs/dbraw/zinc/50/41/80/449504180.db2.gz FIQKSCMUNKEMEE-HOCLYGCPSA-N 2 0 326.485 1.127 20 0 EDADRP CCc1ccc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000607245581 449589116 /nfs/dbraw/zinc/58/91/16/449589116.db2.gz GFLBMYAZEZLWAQ-UHFFFAOYSA-N 2 0 334.508 1.926 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCN1CCC2)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000614506438 449655501 /nfs/dbraw/zinc/65/55/01/449655501.db2.gz XQQSGKRPOLESDA-MOPGFXCFSA-N 2 0 342.487 1.015 20 0 EDADRP CCOC(=O)c1cc(C[NH2+]C[C@H](C)CN2CC[NH+](CC)CC2)on1 ZINC000602540612 449662468 /nfs/dbraw/zinc/66/24/68/449662468.db2.gz LLFKXYTUIWJHPW-AWEZNQCLSA-N 2 0 338.452 1.215 20 0 EDADRP CCOC(=O)c1ccc(C[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)[nH]1 ZINC000602549187 449667764 /nfs/dbraw/zinc/66/77/64/449667764.db2.gz SOZUHVFPZIPKIJ-HNNXBMFYSA-N 2 0 334.464 1.450 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000612489438 449738327 /nfs/dbraw/zinc/73/83/27/449738327.db2.gz SUOUOLVVGKKJAQ-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP CSC1(C[NH2+]Cc2ccc(S(N)(=O)=O)cc2)CC[NH+](C)CC1 ZINC000602667656 449738395 /nfs/dbraw/zinc/73/83/95/449738395.db2.gz RUAMXFGEJRGZLX-UHFFFAOYSA-N 2 0 343.518 1.251 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000601230200 449762546 /nfs/dbraw/zinc/76/25/46/449762546.db2.gz SZCUVVGNWPVGFV-BBWFWOEESA-N 2 0 340.512 1.658 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000594940607 449814585 /nfs/dbraw/zinc/81/45/85/449814585.db2.gz PBXXODBRYGAZHK-ZOCIIQOWSA-N 2 0 346.471 1.931 20 0 EDADRP CS[C@@H]1CN(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)C[C@H]1[NH+](C)C ZINC000612750329 449867300 /nfs/dbraw/zinc/86/73/00/449867300.db2.gz NXYVITJGFUFXOQ-HUUCEWRRSA-N 2 0 346.460 1.777 20 0 EDADRP C[C@H](CSCCF)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000595052908 449850902 /nfs/dbraw/zinc/85/09/02/449850902.db2.gz SMFONZCUDHQEFO-OAHLLOKOSA-N 2 0 333.517 1.464 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000615090675 449950234 /nfs/dbraw/zinc/95/02/34/449950234.db2.gz UKVVUVHIKYGSIG-INIZCTEOSA-N 2 0 346.475 1.620 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@]2(C)CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000612862936 449915644 /nfs/dbraw/zinc/91/56/44/449915644.db2.gz RQCCCDVXFUEKGF-IEBWSBKVSA-N 2 0 346.475 1.883 20 0 EDADRP CCOC(=O)C[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000599367488 449923085 /nfs/dbraw/zinc/92/30/85/449923085.db2.gz XOYOBKUOCAIBQN-QGZVFWFLSA-N 2 0 342.480 1.125 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612964250 449960231 /nfs/dbraw/zinc/96/02/31/449960231.db2.gz OWUROKVPZAADSY-SJORKVTESA-N 2 0 328.460 1.702 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612965107 449960287 /nfs/dbraw/zinc/96/02/87/449960287.db2.gz XGYOQHSJZOHHHE-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CC12CC[NH2+]CC2)[N@@H+]1CCc2ccccc2C1 ZINC000612967322 449962801 /nfs/dbraw/zinc/96/28/01/449962801.db2.gz ZVRUPVUHFCWBBH-QAPCUYQASA-N 2 0 342.487 1.875 20 0 EDADRP COc1cncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000625307461 450285448 /nfs/dbraw/zinc/28/54/48/450285448.db2.gz MTUBDIRCRVMEMD-UHFFFAOYSA-N 2 0 334.464 1.810 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620475461 450495371 /nfs/dbraw/zinc/49/53/71/450495371.db2.gz PMRJTSVSDCJQMG-GOSISDBHSA-N 2 0 335.492 1.309 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)NCC2([NH3+])CCOCC2)c1 ZINC000625847159 450520467 /nfs/dbraw/zinc/52/04/67/450520467.db2.gz NKZJHOJMXVWVCX-UHFFFAOYSA-N 2 0 336.436 1.256 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000625865688 450524146 /nfs/dbraw/zinc/52/41/46/450524146.db2.gz YWXAQLFBMLDBQC-CQSZACIVSA-N 2 0 347.463 1.321 20 0 EDADRP Cc1cc(NCCNC(=O)N[C@H]2CCC[N@H+](C)C2)nc(C(C)C)n1 ZINC000623716992 450571063 /nfs/dbraw/zinc/57/10/63/450571063.db2.gz FVQSVRXRVINYFM-AWEZNQCLSA-N 2 0 334.468 1.714 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623573372 450545477 /nfs/dbraw/zinc/54/54/77/450545477.db2.gz GJSFTIGGDPUMPX-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCN1CCC[C@H]1C(N)=O ZINC000623617966 450552245 /nfs/dbraw/zinc/55/22/45/450552245.db2.gz YCGCOZGVASSYFR-ZBFHGGJFSA-N 2 0 332.448 1.333 20 0 EDADRP COC[C@]1(C)C[NH+](CCCC[N@@H+]2CCO[C@](C)(COC)C2)CCO1 ZINC000626176567 450611083 /nfs/dbraw/zinc/61/10/83/450611083.db2.gz RFQYPRNELIQALU-ROUUACIJSA-N 2 0 344.496 1.241 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631691010 450717291 /nfs/dbraw/zinc/71/72/91/450717291.db2.gz KNJURUMSIXJTHF-UHFFFAOYSA-N 2 0 349.504 1.710 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccc3nncn3n2)C1 ZINC000629524542 450725311 /nfs/dbraw/zinc/72/53/11/450725311.db2.gz RTODJVQQGJKVMZ-PMPSAXMXSA-N 2 0 343.479 1.603 20 0 EDADRP CCc1noc(-c2ccc(CC[NH2+]C[C@@H](O)C[NH+]3CCCC3)cc2)n1 ZINC000629558825 450736581 /nfs/dbraw/zinc/73/65/81/450736581.db2.gz IFCKIAOWFCJBCP-QGZVFWFLSA-N 2 0 344.459 1.888 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629590618 450752481 /nfs/dbraw/zinc/75/24/81/450752481.db2.gz ZWTRRFOISNKRNR-NVXWUHKLSA-N 2 0 325.497 1.628 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000621648418 450812302 /nfs/dbraw/zinc/81/23/02/450812302.db2.gz VUAANIZJGJTWCZ-HNNXBMFYSA-N 2 0 325.497 1.772 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635312710 450835612 /nfs/dbraw/zinc/83/56/12/450835612.db2.gz NYVZRUPGAWWNED-IBGZPJMESA-N 2 0 344.503 1.392 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CC[C@H](O)C2)CC1 ZINC000624339526 450800054 /nfs/dbraw/zinc/80/00/54/450800054.db2.gz PYFJFHYTSAVVFI-PXNSSMCTSA-N 2 0 331.504 1.738 20 0 EDADRP NC(=O)c1cc(F)ccc1N1CC[NH+](CCCC2CC[NH2+]CC2)CC1 ZINC000621778650 450864044 /nfs/dbraw/zinc/86/40/44/450864044.db2.gz SSVGRQAIAYQSRL-UHFFFAOYSA-N 2 0 348.466 1.826 20 0 EDADRP CN(C1CC[NH2+]CC1)S(=O)(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000631911608 450870361 /nfs/dbraw/zinc/87/03/61/450870361.db2.gz LAUCBJSVQUDZCQ-UHFFFAOYSA-N 2 0 346.541 1.159 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000631952535 450911509 /nfs/dbraw/zinc/91/15/09/450911509.db2.gz LJUJPSZPPDAAQE-CVEARBPZSA-N 2 0 343.468 1.224 20 0 EDADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000635437597 450940706 /nfs/dbraw/zinc/94/07/06/450940706.db2.gz MVWWRCRICBIJDZ-MRXNPFEDSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000626920505 451005056 /nfs/dbraw/zinc/00/50/56/451005056.db2.gz CPXVEBGOTVUPPP-OAHLLOKOSA-N 2 0 338.452 1.342 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000626922207 451006707 /nfs/dbraw/zinc/00/67/07/451006707.db2.gz QUPMFDVAJFHQHI-DLBZAZTESA-N 2 0 334.464 1.357 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)[NH+]1CCOCC1 ZINC000626929004 451011686 /nfs/dbraw/zinc/01/16/86/451011686.db2.gz GCSCAQGDZDDEFF-OIISXLGYSA-N 2 0 340.512 1.563 20 0 EDADRP COc1cccc([C@H](CNC(=O)N2C[C@@H]([NH3+])C[C@@H]2C)[NH+]2CCCC2)c1 ZINC000635527942 451024166 /nfs/dbraw/zinc/02/41/66/451024166.db2.gz NMHCUASOJQFYLQ-ZVZYQTTQSA-N 2 0 346.475 1.963 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N(C)CCOCC[NH3+])C1 ZINC000626947210 451026326 /nfs/dbraw/zinc/02/63/26/451026326.db2.gz OSXUIZFPRITYHV-DOTOQJQBSA-N 2 0 334.464 1.439 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)Cc2ccccc2C1 ZINC000626984776 451052257 /nfs/dbraw/zinc/05/22/57/451052257.db2.gz KSYIWOIPCHNYQG-QGZVFWFLSA-N 2 0 342.487 1.669 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC[C@@H]3CCC[N@@H+]3C)ccc2[nH]c1=O ZINC000635559840 451057330 /nfs/dbraw/zinc/05/73/30/451057330.db2.gz WAXCFUWJRAISDV-AWEZNQCLSA-N 2 0 345.447 1.128 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)N[C@@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000627004278 451069764 /nfs/dbraw/zinc/06/97/64/451069764.db2.gz HYQSPMKAAQIGNL-CGTJXYLNSA-N 2 0 330.476 1.948 20 0 EDADRP Cc1cn2ccc(C(=O)N3CC[C@@H](CN4CCOCC4)C3)cc2n1 ZINC000635610570 451103375 /nfs/dbraw/zinc/10/33/75/451103375.db2.gz FIRZDLCKNXYXHU-HNNXBMFYSA-N 2 0 328.416 1.437 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000627157957 451154376 /nfs/dbraw/zinc/15/43/76/451154376.db2.gz FRBNLMFVAXSTTD-FGTMMUONSA-N 2 0 346.475 1.193 20 0 EDADRP CCn1cc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c(C)n1 ZINC000625027666 451119875 /nfs/dbraw/zinc/11/98/75/451119875.db2.gz UEFMIFVBJYNXPB-MRXNPFEDSA-N 2 0 335.496 1.700 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000627188899 451175813 /nfs/dbraw/zinc/17/58/13/451175813.db2.gz CZTSVDMRZXBMKP-GJZGRUSLSA-N 2 0 340.855 1.230 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000635694843 451176710 /nfs/dbraw/zinc/17/67/10/451176710.db2.gz OFTLBUKXRWYKMC-QZTJIDSGSA-N 2 0 335.492 1.717 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000627207651 451186710 /nfs/dbraw/zinc/18/67/10/451186710.db2.gz CGAXBRORXZFUAK-HZPDHXFCSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632308539 451189441 /nfs/dbraw/zinc/18/94/41/451189441.db2.gz VMAJLLTYECQSSQ-MRXNPFEDSA-N 2 0 343.475 1.695 20 0 EDADRP C[N@H+](CCc1ccccc1)CC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000635774538 451231860 /nfs/dbraw/zinc/23/18/60/451231860.db2.gz IJHUIMUYDUCBAS-UHFFFAOYSA-N 2 0 333.476 1.124 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634194200 451230728 /nfs/dbraw/zinc/23/07/28/451230728.db2.gz GTXJCZSOORLZRB-MRXNPFEDSA-N 2 0 331.464 1.646 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000635743490 451212685 /nfs/dbraw/zinc/21/26/85/451212685.db2.gz OWOCHVSQOZBGHK-QRVBRYPASA-N 2 0 345.487 1.327 20 0 EDADRP CCC[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCOC ZINC000635753931 451221642 /nfs/dbraw/zinc/22/16/42/451221642.db2.gz SUQRDGXOQGFIDV-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CCC[C@@H]2CO)C1 ZINC000635784114 451238251 /nfs/dbraw/zinc/23/82/51/451238251.db2.gz AQPLCACTSKDBLG-VQIMIIECSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)CN2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000638083715 451247348 /nfs/dbraw/zinc/24/73/48/451247348.db2.gz BREDWIFNCXIBRP-GOSISDBHSA-N 2 0 330.476 1.153 20 0 EDADRP C[C@@]1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C[NH2+]CCO1 ZINC000638085130 451250186 /nfs/dbraw/zinc/25/01/86/451250186.db2.gz NYYCGAXERAKWHP-KRWDZBQOSA-N 2 0 337.489 1.455 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000638118999 451287030 /nfs/dbraw/zinc/28/70/30/451287030.db2.gz GLFDFKWKXHSXCQ-RDTXWAMCSA-N 2 0 347.459 1.312 20 0 EDADRP C[C@@H](C[N@H+](C)CC(=O)NCC(C)(C)N1CCOCC1)C(C)(C)C ZINC000640349294 451277172 /nfs/dbraw/zinc/27/71/72/451277172.db2.gz APLCBWXPEHCOSJ-HNNXBMFYSA-N 2 0 327.513 1.827 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000638120741 451290520 /nfs/dbraw/zinc/29/05/20/451290520.db2.gz CCQRQUXESXHWAN-OALUTQOASA-N 2 0 344.503 1.390 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638126334 451297359 /nfs/dbraw/zinc/29/73/59/451297359.db2.gz TXOBEJYKYWCQAM-WMZOPIPTSA-N 2 0 333.476 1.755 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638131533 451303199 /nfs/dbraw/zinc/30/31/99/451303199.db2.gz RHRQRWQKHPOONT-VQIMIIECSA-N 2 0 331.460 1.488 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638135763 451308325 /nfs/dbraw/zinc/30/83/25/451308325.db2.gz VEGKQBXGBVWHDV-UYAOXDASSA-N 2 0 345.487 1.736 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)Cc2ncc[nH]2)[NH+](C)C)cc1 ZINC000636593223 451333230 /nfs/dbraw/zinc/33/32/30/451333230.db2.gz FQPIEMWTNPECRB-OAHLLOKOSA-N 2 0 343.431 1.096 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000638253116 451382999 /nfs/dbraw/zinc/38/29/99/451382999.db2.gz YUQHMTMSRGWVGI-CVEARBPZSA-N 2 0 333.480 1.297 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)c1cnc(C[NH3+])nc1 ZINC000638287753 451405181 /nfs/dbraw/zinc/40/51/81/451405181.db2.gz XENWNJVWEJHSMC-CZUORRHYSA-N 2 0 325.416 1.186 20 0 EDADRP C[C@@H]1CN(C(C)(C)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C[C@H](C)O1 ZINC000638319991 451430731 /nfs/dbraw/zinc/43/07/31/451430731.db2.gz VSAAGLANEZWNRS-IYBDPMFKSA-N 2 0 341.540 1.699 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)CC1(O)CCOCC1 ZINC000634639706 451431007 /nfs/dbraw/zinc/43/10/07/451431007.db2.gz NXTVKMFJTYVSEA-LJQANCHMSA-N 2 0 348.487 1.665 20 0 EDADRP [NH3+]C[C@@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCOC1 ZINC000638367459 451464748 /nfs/dbraw/zinc/46/47/48/451464748.db2.gz OSHIZHWFOVRCEV-NSHGMRRFSA-N 2 0 343.471 1.475 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000638367796 451466649 /nfs/dbraw/zinc/46/66/49/451466649.db2.gz HLTFAFNTDLQNKK-SJORKVTESA-N 2 0 330.476 1.237 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634698892 451470944 /nfs/dbraw/zinc/47/09/44/451470944.db2.gz ANHNIUDMHJHQRC-IAGOWNOFSA-N 2 0 328.497 1.523 20 0 EDADRP CC(C)(C)NS(=O)(=O)C1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000638376852 451472331 /nfs/dbraw/zinc/47/23/31/451472331.db2.gz MDJVCPIESNAXQH-UONOGXRCSA-N 2 0 329.510 1.453 20 0 EDADRP O[C@H](C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCOCC1 ZINC000634709098 451487374 /nfs/dbraw/zinc/48/73/74/451487374.db2.gz DEASXDMTCIVACC-SFHVURJKSA-N 2 0 349.475 1.180 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000638400728 451490007 /nfs/dbraw/zinc/49/00/07/451490007.db2.gz SHSAQGUBQCENFI-OTWHNJEPSA-N 2 0 344.503 1.579 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000638402415 451490529 /nfs/dbraw/zinc/49/05/29/451490529.db2.gz MAVUATNSDXSSDW-LJQANCHMSA-N 2 0 333.520 1.984 20 0 EDADRP OCCC[N@@H+]1CCC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721246 451500993 /nfs/dbraw/zinc/50/09/93/451500993.db2.gz VRRKVPONFGJLKR-UXHICEINSA-N 2 0 347.503 1.060 20 0 EDADRP OCc1cccc(CNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)n1 ZINC000634722341 451503404 /nfs/dbraw/zinc/50/34/04/451503404.db2.gz NPQMUGJEGKOXFV-IBGZPJMESA-N 2 0 327.428 1.301 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000638432579 451511870 /nfs/dbraw/zinc/51/18/70/451511870.db2.gz LOWFRJULHJLTQC-IAGOWNOFSA-N 2 0 335.448 1.264 20 0 EDADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000638458470 451525795 /nfs/dbraw/zinc/52/57/95/451525795.db2.gz DOERNFQMGNELFC-DOTOQJQBSA-N 2 0 336.524 1.582 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638505840 451550362 /nfs/dbraw/zinc/55/03/62/451550362.db2.gz OTQGSCBQQPWMHR-SJORKVTESA-N 2 0 328.460 1.694 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631064284 451562976 /nfs/dbraw/zinc/56/29/76/451562976.db2.gz QPJDFYYNVNJXQO-INIZCTEOSA-N 2 0 333.524 1.662 20 0 EDADRP COc1cc(C[C@@H](C)[NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000638587164 451591678 /nfs/dbraw/zinc/59/16/78/451591678.db2.gz BCVJHANYHDWODS-WBVHZDCISA-N 2 0 332.492 1.779 20 0 EDADRP C[C@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000638602863 451601152 /nfs/dbraw/zinc/60/11/52/451601152.db2.gz PDRYGSYEPOQKCW-IAGOWNOFSA-N 2 0 337.508 1.726 20 0 EDADRP COc1cc(C[C@@H](C)[NH2+]CC2CC[NH+](CCN(C)C)CC2)ccn1 ZINC000638564620 451578915 /nfs/dbraw/zinc/57/89/15/451578915.db2.gz LGJBUXRGUMRMDE-MRXNPFEDSA-N 2 0 334.508 1.884 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC3(C[NH3+])CCOCC3)cc2)CC1 ZINC000638635082 451623735 /nfs/dbraw/zinc/62/37/35/451623735.db2.gz ZKFFUFPIHHJFKO-UHFFFAOYSA-N 2 0 346.475 1.066 20 0 EDADRP Nc1ccc(-c2cccc(C[NH2+]CCCN3CC[NH2+]CC3)n2)cc1 ZINC000634994793 451641535 /nfs/dbraw/zinc/64/15/35/451641535.db2.gz MTTRZZCKVBRPQT-UHFFFAOYSA-N 2 0 325.460 1.716 20 0 EDADRP CC(C)[C@H](C[NH3+])C[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000634997844 451642293 /nfs/dbraw/zinc/64/22/93/451642293.db2.gz URJNEINCXKXNJP-HZPDHXFCSA-N 3 0 334.512 1.230 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000636337915 451685979 /nfs/dbraw/zinc/68/59/79/451685979.db2.gz MYMQHUUBVRWUJE-KURKYZTESA-N 2 0 337.508 1.532 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000638975594 451744249 /nfs/dbraw/zinc/74/42/49/451744249.db2.gz NHHKMHPULFCHND-UHFFFAOYSA-N 2 0 348.495 1.457 20 0 EDADRP Cc1c(CCC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)cnn1C ZINC000638985972 451746317 /nfs/dbraw/zinc/74/63/17/451746317.db2.gz QDPPRFJUEDADCW-UHFFFAOYSA-N 2 0 328.420 1.104 20 0 EDADRP C[C@H](CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000638987686 451747731 /nfs/dbraw/zinc/74/77/31/451747731.db2.gz WIYKVOUZDPZRDC-HUUCEWRRSA-N 3 0 331.464 1.456 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000641173934 451769311 /nfs/dbraw/zinc/76/93/11/451769311.db2.gz HCAVMXBWUQBBTF-IAGOWNOFSA-N 2 0 328.460 1.821 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000641221924 451787857 /nfs/dbraw/zinc/78/78/57/451787857.db2.gz MBKRKPBNUPBHMJ-WMZOPIPTSA-N 2 0 331.464 1.092 20 0 EDADRP CCCN(C(=O)C(=O)Nc1c(C)cc(C)nc1C)[C@@H]1CC[N@H+](C)C1 ZINC000646763505 451823535 /nfs/dbraw/zinc/82/35/35/451823535.db2.gz BAGPNPKYLILPJL-OAHLLOKOSA-N 2 0 332.448 1.888 20 0 EDADRP CN([C@H]1CC[N@@H+](C2CC2)C1)S(=O)(=O)c1cccc2c1CCN(C)C2 ZINC000641326852 451849614 /nfs/dbraw/zinc/84/96/14/451849614.db2.gz HPNODNRZSOKYOQ-INIZCTEOSA-N 2 0 349.500 1.532 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000644562417 451863186 /nfs/dbraw/zinc/86/31/86/451863186.db2.gz QAZGWGAUJUXOPN-KRWDZBQOSA-N 2 0 335.492 1.350 20 0 EDADRP O=C1[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)CCN1C1CCC1 ZINC000639506325 451912644 /nfs/dbraw/zinc/91/26/44/451912644.db2.gz AYQJSGXOIAVPQF-GOSISDBHSA-N 2 0 335.492 1.717 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000637558255 451943491 /nfs/dbraw/zinc/94/34/91/451943491.db2.gz YLCBQJMJWACXSA-YESZJQIVSA-N 2 0 340.512 1.469 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(N)CC[N@H+](C)C1)c1cccc(OC)c1 ZINC000649282870 451955742 /nfs/dbraw/zinc/95/57/42/451955742.db2.gz PFWZWTLCFDHRGL-MJGOQNOKSA-N 2 0 348.491 1.227 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccccc2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649287895 451961407 /nfs/dbraw/zinc/96/14/07/451961407.db2.gz KDBPFVDYWGKJHY-QGZVFWFLSA-N 2 0 331.460 1.046 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@]2(N)CC[N@H+](C)C2)CC1 ZINC000649288406 451962202 /nfs/dbraw/zinc/96/22/02/451962202.db2.gz OGJFNRKTFICJRF-FQEVSTJZSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)C[C@@H](C)O1 ZINC000649288307 451963214 /nfs/dbraw/zinc/96/32/14/451963214.db2.gz JTLTVMPAFYGFNX-ACJWMLNOSA-N 2 0 343.471 1.377 20 0 EDADRP COC[C@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000649288002 451963437 /nfs/dbraw/zinc/96/34/37/451963437.db2.gz YRZJPHWLYMWCQA-FQEVSTJZSA-N 2 0 345.487 1.578 20 0 EDADRP COC[C@]1(C(=O)NCc2cccc(OCC[NH+](C)C)c2)CCC[NH2+]1 ZINC000649288791 451964444 /nfs/dbraw/zinc/96/44/44/451964444.db2.gz KARFJTSJOAXHJN-SFHVURJKSA-N 2 0 335.448 1.012 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649293761 451969264 /nfs/dbraw/zinc/96/92/64/451969264.db2.gz IJHSEKJTUBBWGJ-MSOLQXFVSA-N 2 0 331.460 1.566 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCC[NH2+]1 ZINC000649295910 451971801 /nfs/dbraw/zinc/97/18/01/451971801.db2.gz FZJWDDSTXRDOKN-LJQANCHMSA-N 2 0 347.459 1.350 20 0 EDADRP CC(C)[C@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000639612975 451973973 /nfs/dbraw/zinc/97/39/73/451973973.db2.gz OBLDPZNYUMTWGS-WOJBJXKFSA-N 2 0 331.504 1.895 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000649299465 451976430 /nfs/dbraw/zinc/97/64/30/451976430.db2.gz XPWMCNHOQKRRJR-CABCVRRESA-N 2 0 325.522 1.839 20 0 EDADRP Cc1ccc([C@H](CNC(=O)CN2CCCC[C@H]([NH3+])C2=O)[NH+](C)C)cc1 ZINC000649302951 451980164 /nfs/dbraw/zinc/98/01/64/451980164.db2.gz IQDOFNJNEYBRFB-IRXDYDNUSA-N 2 0 346.475 1.054 20 0 EDADRP COCCC1(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC[NH2+]CC1 ZINC000649306849 451982988 /nfs/dbraw/zinc/98/29/88/451982988.db2.gz TVUCZLRZHGBDNT-CVEARBPZSA-N 2 0 325.497 1.629 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CCC[NH2+]1 ZINC000649307470 451984506 /nfs/dbraw/zinc/98/45/06/451984506.db2.gz RNCWZUYEZIWVFX-RKVPGOIHSA-N 2 0 325.497 1.628 20 0 EDADRP COC[C@]1(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC[NH2+]1 ZINC000649310534 451987494 /nfs/dbraw/zinc/98/74/94/451987494.db2.gz QVUBRIIDEPVHMV-QUCCMNQESA-N 2 0 345.487 1.436 20 0 EDADRP COCCC1(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000649309910 451987863 /nfs/dbraw/zinc/98/78/63/451987863.db2.gz JWOSSRSOBIGYQU-MRXNPFEDSA-N 2 0 325.497 1.629 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)[C@]3(N)CC[N@H+](C)C3)c2)CC1 ZINC000649310812 451988056 /nfs/dbraw/zinc/98/80/56/451988056.db2.gz DNAMVSMIHNAKCU-FQEVSTJZSA-N 2 0 344.503 1.568 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1C[NH2+]CCOC1 ZINC000649310998 451989262 /nfs/dbraw/zinc/98/92/62/451989262.db2.gz SNMAWKOMVQYZNL-IBGZPJMESA-N 2 0 345.487 1.915 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(N)CC[N@H+](C)C2)CC1 ZINC000649323653 452003315 /nfs/dbraw/zinc/00/33/15/452003315.db2.gz MFOHWDXONRZZAJ-HNAYVOBHSA-N 2 0 330.476 1.361 20 0 EDADRP [NH3+]C1(CC(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CCC1 ZINC000649332226 452012647 /nfs/dbraw/zinc/01/26/47/452012647.db2.gz HXAUBTKQMZWZTD-UHFFFAOYSA-N 2 0 344.459 1.722 20 0 EDADRP CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000649332235 452013529 /nfs/dbraw/zinc/01/35/29/452013529.db2.gz INXOTVHTINHKQI-QGZVFWFLSA-N 2 0 346.475 1.824 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352706 452037943 /nfs/dbraw/zinc/03/79/43/452037943.db2.gz GJCKUDKGPVEVBX-HKUYNNGSSA-N 2 0 342.487 1.112 20 0 EDADRP C[C@@]1(F)CNCCN(C(=O)c2cccc(CN3CCOCC3)c2)C1 ZINC000647065213 452038774 /nfs/dbraw/zinc/03/87/74/452038774.db2.gz KAFJINCGJIGLLJ-GOSISDBHSA-N 2 0 335.423 1.292 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC(C)([NH3+])CC3)cc2)CC1 ZINC000649357807 452040491 /nfs/dbraw/zinc/04/04/91/452040491.db2.gz MFHFJCCMRNTJQS-UHFFFAOYSA-N 2 0 330.476 1.387 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799979 452088500 /nfs/dbraw/zinc/08/85/00/452088500.db2.gz UNXQBDXXXFCBKU-MJGOQNOKSA-N 2 0 333.476 1.941 20 0 EDADRP [NH3+]C1(CC(=O)N[C@@H]2CCC[NH2+]C2)CCN(Cc2ccccc2)CC1 ZINC000637806573 452092372 /nfs/dbraw/zinc/09/23/72/452092372.db2.gz YLZQBANAGKVUKG-QGZVFWFLSA-N 2 0 330.476 1.238 20 0 EDADRP C[NH+]1CCC2(CC[N@H+](CCC(=O)NCC(=O)c3ccccc3)C2)CC1 ZINC000639756666 452096915 /nfs/dbraw/zinc/09/69/15/452096915.db2.gz BENWGKNKNOOGOB-UHFFFAOYSA-N 2 0 343.471 1.793 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)CC[NH2+]1 ZINC000637840846 452111971 /nfs/dbraw/zinc/11/19/71/452111971.db2.gz LETKCEZXOWWBAS-IMFGXOCKSA-N 2 0 343.471 1.345 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000645104648 452154156 /nfs/dbraw/zinc/15/41/56/452154156.db2.gz QSNRVVOKDBIXRS-INJPQVFBSA-N 2 0 335.492 1.510 20 0 EDADRP COc1cc(F)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1OC ZINC000651953096 452188649 /nfs/dbraw/zinc/18/86/49/452188649.db2.gz QQGPUTWFABYZOS-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCn3c(CC4CC4)nnc3C2)CC1 ZINC000649704645 452205256 /nfs/dbraw/zinc/20/52/56/452205256.db2.gz PSXHTJGQJURTNV-UHFFFAOYSA-N 2 0 346.523 1.462 20 0 EDADRP COc1cccc(OC)c1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000637981230 452224463 /nfs/dbraw/zinc/22/44/63/452224463.db2.gz DUCLWPKIZGIXEB-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2nc3c(s2)CCC3)C1)N1CC[NH2+]CC1 ZINC000647486433 452230121 /nfs/dbraw/zinc/23/01/21/452230121.db2.gz PIDFCERITROGKZ-CYBMUJFWSA-N 2 0 334.489 1.276 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000641771248 452244248 /nfs/dbraw/zinc/24/42/48/452244248.db2.gz FGOOFLPCBZOTJB-KRWDZBQOSA-N 2 0 331.464 1.758 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000663551813 452258167 /nfs/dbraw/zinc/25/81/67/452258167.db2.gz KESOOMKRPLPQRY-IYBDPMFKSA-N 2 0 342.528 1.905 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663554162 452262173 /nfs/dbraw/zinc/26/21/73/452262173.db2.gz QZPAZVJJZBFLCI-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655470097 452263735 /nfs/dbraw/zinc/26/37/35/452263735.db2.gz JSNQEDDVGWWJEQ-HKUYNNGSSA-N 2 0 328.460 1.804 20 0 EDADRP [NH3+]C[C@H]1C[N@H+](Cc2ccccc2-n2cncn2)CC12CCOCC2 ZINC000647545429 452275397 /nfs/dbraw/zinc/27/53/97/452275397.db2.gz FWOWVMMEHVNZGK-INIZCTEOSA-N 2 0 327.432 1.455 20 0 EDADRP C[C@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663563093 452280532 /nfs/dbraw/zinc/28/05/32/452280532.db2.gz DAJLNNJMVZKFCK-LSDHHAIUSA-N 2 0 329.448 1.404 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC13CC[NH2+]CC3)CCC2 ZINC000643536881 452301107 /nfs/dbraw/zinc/30/11/07/452301107.db2.gz XKWMHOBNZFRWRI-JKSUJKDBSA-N 2 0 335.473 1.443 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000663578829 452303192 /nfs/dbraw/zinc/30/31/92/452303192.db2.gz OKOMYUTZKVUGNR-MRXNPFEDSA-N 2 0 339.528 1.184 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)CCC1C[NH2+]C1)[NH+]1CCCC1 ZINC000638049319 452317136 /nfs/dbraw/zinc/31/71/36/452317136.db2.gz COMUPJAVXXLHML-KRWDZBQOSA-N 2 0 331.460 1.948 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638049704 452318513 /nfs/dbraw/zinc/31/85/13/452318513.db2.gz ZBSFWPZIICKXIS-UHFFFAOYSA-N 2 0 346.475 1.696 20 0 EDADRP COc1ccc([C@@H](CNC(=O)C2=CC[C@H]([NH3+])C2)[NH+]2CCCC2)cc1 ZINC000638049787 452319174 /nfs/dbraw/zinc/31/91/74/452319174.db2.gz NRGDNIXWJHTTKM-FUHWJXTLSA-N 2 0 329.444 1.996 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@]2(C)C[NH2+]CCO2)[NH+]2CCCC2)cc1 ZINC000638050417 452321163 /nfs/dbraw/zinc/32/11/63/452321163.db2.gz WCZHRQNFRZLCOA-PKOBYXMFSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)[C@H](C[NH3+])C1 ZINC000659470907 452328207 /nfs/dbraw/zinc/32/82/07/452328207.db2.gz JHRDLLNZDIYSCW-BSWAZPDLSA-N 2 0 338.496 1.133 20 0 EDADRP CCC(=O)N[C@H](C)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606771 452332739 /nfs/dbraw/zinc/33/27/39/452332739.db2.gz HRKXJFQMHILCJV-OAHLLOKOSA-N 2 0 346.475 1.011 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000659492770 452355494 /nfs/dbraw/zinc/35/54/94/452355494.db2.gz KFFINTJGTQGTSH-JGWYNZBZSA-N 2 0 328.460 1.701 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C[C@@H](C)O1 ZINC000638062892 452358350 /nfs/dbraw/zinc/35/83/50/452358350.db2.gz JRPRLERODANCPN-SPYBWZPUSA-N 2 0 343.471 1.960 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638062524 452358374 /nfs/dbraw/zinc/35/83/74/452358374.db2.gz FURGWJUTIRMSCF-FHLIZLRMSA-N 2 0 331.460 1.793 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCC3)CC2)C[C@H]1C[NH3+] ZINC000652164548 452358804 /nfs/dbraw/zinc/35/88/04/452358804.db2.gz RMOIKEIIUHJUOA-RHSMWYFYSA-N 2 0 338.496 1.399 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000652164127 452359993 /nfs/dbraw/zinc/35/99/93/452359993.db2.gz FPTMCKLAOMHMEI-HZPDHXFCSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1ccsc1 ZINC000638065886 452366921 /nfs/dbraw/zinc/36/69/21/452366921.db2.gz ZAHPDEPUXWNGDV-HOCLYGCPSA-N 2 0 325.478 1.626 20 0 EDADRP C[C@H](CNC(=O)[C@H](N)C[N@H+](C)Cc1ccccc1)[NH+]1CCCC[C@H]1C ZINC000638070537 452377257 /nfs/dbraw/zinc/37/72/57/452377257.db2.gz YYOZPPSBTHOOQS-ZHALLVOQSA-N 2 0 346.519 1.825 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[C@H]1CCC[NH2+]C1 ZINC000659513370 452378409 /nfs/dbraw/zinc/37/84/09/452378409.db2.gz YFVCWEXWDDVNAI-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)N[C@H]1CCC[NH2+]CC1 ZINC000659535856 452396502 /nfs/dbraw/zinc/39/65/02/452396502.db2.gz LGJGJSCBZQILNH-ZWKOTPCHSA-N 2 0 346.475 1.195 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NCCCC[NH+]1CCOCC1 ZINC000663656637 452398431 /nfs/dbraw/zinc/39/84/31/452398431.db2.gz WKPSKFGMOVHZBN-UHFFFAOYSA-N 2 0 328.501 1.518 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638080860 452399802 /nfs/dbraw/zinc/39/98/02/452399802.db2.gz RVVFLBFRGLTEPY-GOSISDBHSA-N 2 0 333.476 1.803 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659551220 452407954 /nfs/dbraw/zinc/40/79/54/452407954.db2.gz AHGHNQMRTNPUDU-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000659556218 452413869 /nfs/dbraw/zinc/41/38/69/452413869.db2.gz RMXMQIWYKLRCSH-BODMPHMZSA-N 2 0 348.491 1.956 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCO1 ZINC000663687256 452425137 /nfs/dbraw/zinc/42/51/37/452425137.db2.gz JCGHMIYJWVWMIZ-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[C@H]1[NH3+] ZINC000659575840 452430957 /nfs/dbraw/zinc/43/09/57/452430957.db2.gz CIHLZXJTAMMKJU-DZOHQFGASA-N 2 0 330.476 1.901 20 0 EDADRP CC(CC[NH+](C)C[C@@H]1COCCO1)CC[N@H+](C)C[C@@H]1COCCO1 ZINC000661613178 452433782 /nfs/dbraw/zinc/43/37/82/452433782.db2.gz GZQONGRLFQCBCD-QZTJIDSGSA-N 2 0 344.496 1.097 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000659582912 452438239 /nfs/dbraw/zinc/43/82/39/452438239.db2.gz WHSIZDQIPDTUHT-JFIYKMOQSA-N 2 0 334.439 1.652 20 0 EDADRP CN1CCN(C(=O)NCc2ccc(Cl)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000659600166 452455155 /nfs/dbraw/zinc/45/51/55/452455155.db2.gz UVRSXJRHAOLHJK-LLVKDONJSA-N 2 0 331.247 1.778 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@H]([NH+](C)CCc2ccccc2)C1 ZINC000661641872 452457244 /nfs/dbraw/zinc/45/72/44/452457244.db2.gz XDSXSAMRJKHFBQ-UXHICEINSA-N 2 0 333.520 1.936 20 0 EDADRP C[NH+](CCc1ccccc1)[C@@H]1CCN(C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000661639739 452457932 /nfs/dbraw/zinc/45/79/32/452457932.db2.gz OJTFBQPJLUJLFB-UXHICEINSA-N 2 0 331.504 1.690 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645506909 452474127 /nfs/dbraw/zinc/47/41/27/452474127.db2.gz FTDWINJYWDGQFV-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654421413 452474479 /nfs/dbraw/zinc/47/44/79/452474479.db2.gz GHMGBQUAVNEVFZ-FZNQNYSPSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCC[C@@H]([NH3+])C(C)C)CC1 ZINC000659618434 452476857 /nfs/dbraw/zinc/47/68/57/452476857.db2.gz HQNDQEHBMOAMOD-OAHLLOKOSA-N 2 0 327.517 1.075 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661694983 452499385 /nfs/dbraw/zinc/49/93/85/452499385.db2.gz LFXAYZXTFVNBDZ-IRXDYDNUSA-N 2 0 343.487 1.531 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CCCC[N@@H+]1CCO ZINC000655680960 452505584 /nfs/dbraw/zinc/50/55/84/452505584.db2.gz QSVPRIAZUOAZDW-JKSUJKDBSA-N 2 0 326.485 1.007 20 0 EDADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652345993 452520678 /nfs/dbraw/zinc/52/06/78/452520678.db2.gz QNYXJJWKQAYGTF-GBESFXJTSA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645554854 452522996 /nfs/dbraw/zinc/52/29/96/452522996.db2.gz ARXFPMSWWXQLPV-UHFFFAOYSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)CN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CC1 ZINC000652361565 452542536 /nfs/dbraw/zinc/54/25/36/452542536.db2.gz KGQGEACELYOKCH-NXHRZFHOSA-N 2 0 337.508 1.994 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)C1 ZINC000652363776 452545267 /nfs/dbraw/zinc/54/52/67/452545267.db2.gz NECVDVHBZBASAJ-HYVNUMGLSA-N 2 0 332.448 1.771 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3COC4(CCC4)C3)CC2)nc1 ZINC000657871610 452582630 /nfs/dbraw/zinc/58/26/30/452582630.db2.gz VRLWLTSOPOJMJC-KRWDZBQOSA-N 2 0 345.491 1.680 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000659705988 452596588 /nfs/dbraw/zinc/59/65/88/452596588.db2.gz BHLWSEBNEYCRBD-HUUCEWRRSA-N 2 0 346.475 1.052 20 0 EDADRP Cc1cn2ccc(NC(=O)C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)cc2n1 ZINC000658007337 452679342 /nfs/dbraw/zinc/67/93/42/452679342.db2.gz PNVTWZJAHXGTBM-AWEZNQCLSA-N 2 0 343.431 1.429 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H](C[NH3+])C(F)(F)F)cc1 ZINC000655930961 452699852 /nfs/dbraw/zinc/69/98/52/452699852.db2.gz WBEQKSCCEMRHNU-STQMWFEESA-N 2 0 348.369 1.487 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000647961310 452704262 /nfs/dbraw/zinc/70/42/62/452704262.db2.gz AHSLSCQKCAXKMO-FHWLQOOXSA-N 2 0 340.556 1.178 20 0 EDADRP C[C@@H](CCNC(=O)NCC1([NH+]2CCCC2)CCOCC1)[NH+](C)C ZINC000664006465 452705931 /nfs/dbraw/zinc/70/59/31/452705931.db2.gz IZBNTIRPXBXHHO-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000666238981 452708043 /nfs/dbraw/zinc/70/80/43/452708043.db2.gz LTURDRIOSJEGAD-UHFFFAOYSA-N 2 0 348.495 1.688 20 0 EDADRP CS(=O)(=O)N1CCC[C@H](C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)C1 ZINC000647977592 452723959 /nfs/dbraw/zinc/72/39/59/452723959.db2.gz DVGBOQJFRXMVDM-ZACQAIPSSA-N 2 0 343.537 1.370 20 0 EDADRP COCc1noc(CN2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000647989688 452733697 /nfs/dbraw/zinc/73/36/97/452733697.db2.gz XIQXRULJSIYFPC-UHFFFAOYSA-N 2 0 337.468 1.113 20 0 EDADRP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139078 452746029 /nfs/dbraw/zinc/74/60/29/452746029.db2.gz KRYDLRYQTXCSSY-CDHQVMDDSA-N 3 0 329.488 1.826 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC[C@@]2(COC)CCC[NH2+]2)CC1 ZINC000655967591 452748170 /nfs/dbraw/zinc/74/81/70/452748170.db2.gz YFUZYJJEVXDRJM-QGZVFWFLSA-N 2 0 326.485 1.271 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664077241 452770591 /nfs/dbraw/zinc/77/05/91/452770591.db2.gz OXOHYKJIZMAYPT-IAGOWNOFSA-N 2 0 338.496 1.101 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664078215 452772729 /nfs/dbraw/zinc/77/27/29/452772729.db2.gz YEEQDXQHTVXDTN-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP O=C(Nc1ccn([C@H]2CC[NH2+]C2)n1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000648111787 452826910 /nfs/dbraw/zinc/82/69/10/452826910.db2.gz DJRJLURQCFXBNX-INIZCTEOSA-N 2 0 339.443 1.677 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000648119202 452835820 /nfs/dbraw/zinc/83/58/20/452835820.db2.gz YCZDUXSAVXISQB-KGLIPLIRSA-N 2 0 336.505 1.987 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC12CCOCC2 ZINC000648147519 452858839 /nfs/dbraw/zinc/85/88/39/452858839.db2.gz LPSLQINVIQLXAQ-DZGCQCFKSA-N 2 0 337.851 1.554 20 0 EDADRP [NH3+]C1(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)Cc2ccccc2C1 ZINC000648167946 452878416 /nfs/dbraw/zinc/87/84/16/452878416.db2.gz JUCUUANELNCDTQ-PKOBYXMFSA-N 2 0 339.483 1.958 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)c1coc(C[NH3+])c1 ZINC000648176001 452887014 /nfs/dbraw/zinc/88/70/14/452887014.db2.gz OYJPYYCMMSAQJZ-SUMWQHHRSA-N 2 0 345.447 1.627 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])CCC[N@@H+]1C ZINC000648175937 452888245 /nfs/dbraw/zinc/88/82/45/452888245.db2.gz GMYPWRYTDBJOPV-WBTNSWJXSA-N 2 0 333.480 1.294 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(Cc2ccc(S(=O)(=O)NC)cc2)C1 ZINC000659982507 452890212 /nfs/dbraw/zinc/89/02/12/452890212.db2.gz OUAZVJGUWWRQSY-MRXNPFEDSA-N 2 0 339.505 1.758 20 0 EDADRP CC1(C)C[NH2+][C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000645974350 452961060 /nfs/dbraw/zinc/96/10/60/452961060.db2.gz SKQDTJIOFRBSSC-AWEZNQCLSA-N 2 0 325.522 1.852 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCO[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000652812402 452968797 /nfs/dbraw/zinc/96/87/97/452968797.db2.gz IQXBBDDWWZIMDC-FHWLQOOXSA-N 2 0 343.471 1.440 20 0 EDADRP Cn1c(=O)ccc2c1CCC[C@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000650764714 452980215 /nfs/dbraw/zinc/98/02/15/452980215.db2.gz JXVXPMBEHWUSDG-YLFCFFPRSA-N 2 0 331.460 1.509 20 0 EDADRP CO[C@@H](C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+])C1CCCCC1 ZINC000662270672 453000124 /nfs/dbraw/zinc/00/01/24/453000124.db2.gz BPMQEHZSGKYHCX-IRXDYDNUSA-N 2 0 325.497 1.901 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C1CCC1 ZINC000662280623 453004307 /nfs/dbraw/zinc/00/43/07/453004307.db2.gz GGXZAEUBZSOIRH-IXDOHACOSA-N 2 0 336.480 1.022 20 0 EDADRP CC[C@H](CC(F)F)C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000662280931 453005096 /nfs/dbraw/zinc/00/50/96/453005096.db2.gz IEUMPMYXNXYMAH-BPLDGKMQSA-N 2 0 344.450 1.888 20 0 EDADRP CNC(=O)Cc1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662296404 453019081 /nfs/dbraw/zinc/01/90/81/453019081.db2.gz ZONVBEWGZPSFNK-AWEZNQCLSA-N 2 0 336.505 1.643 20 0 EDADRP O=C1[C@H]([N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)CCN1CC(F)(F)F ZINC000662298165 453020732 /nfs/dbraw/zinc/02/07/32/453020732.db2.gz UTBIYVCZVXOIKE-UONOGXRCSA-N 2 0 333.398 1.861 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000664367868 453037722 /nfs/dbraw/zinc/03/77/22/453037722.db2.gz MUXCXTDSYQDHHO-BFYDXBDKSA-N 2 0 338.496 1.364 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCO[C@@H](CCc3ccccc3)C2)C1 ZINC000666654972 453041313 /nfs/dbraw/zinc/04/13/13/453041313.db2.gz WCXMNRKKSQPHJK-OALUTQOASA-N 2 0 345.487 1.517 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)c1 ZINC000666669114 453054993 /nfs/dbraw/zinc/05/49/93/453054993.db2.gz NVPRXAREKXDWPE-UHFFFAOYSA-N 2 0 330.432 1.171 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NCCN2C[C@H](C)OC[C@H]2C)C1 ZINC000664395703 453059742 /nfs/dbraw/zinc/05/97/42/453059742.db2.gz IYNZHNSMLCQVLO-IXDOHACOSA-N 2 0 340.512 1.373 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3cccc(F)c3)C2)C1 ZINC000666701990 453079218 /nfs/dbraw/zinc/07/92/18/453079218.db2.gz WJIXYOYPVZYRGG-RHSMWYFYSA-N 2 0 335.423 1.476 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000644165789 453095681 /nfs/dbraw/zinc/09/56/81/453095681.db2.gz SJIMBGLAKNVIJV-WBVHZDCISA-N 2 0 334.508 1.987 20 0 EDADRP CC(C)[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)[NH+]1CCN(C)CC1 ZINC000646108898 453112899 /nfs/dbraw/zinc/11/28/99/453112899.db2.gz ZZGMYXTYMKDPIA-SJLPKXTDSA-N 2 0 338.540 1.400 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000666759494 453123589 /nfs/dbraw/zinc/12/35/89/453123589.db2.gz GCYBTQFFFNHUAL-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662453255 453161540 /nfs/dbraw/zinc/16/15/40/453161540.db2.gz VSQJAARRDSBCLO-UHFFFAOYSA-N 2 0 331.460 1.909 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)C[C@H]3[NH2+]Cc4ccccc43)CC2)C1 ZINC000662463316 453172855 /nfs/dbraw/zinc/17/28/55/453172855.db2.gz YDRCICNTKKZWDY-PKOBYXMFSA-N 2 0 342.487 1.459 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCCCN2CCO)cc1 ZINC000648643940 453179127 /nfs/dbraw/zinc/17/91/27/453179127.db2.gz WBPKSPQNWDQFIB-GOSISDBHSA-N 2 0 335.492 1.563 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCCN2CCO)cc1 ZINC000648643943 453179238 /nfs/dbraw/zinc/17/92/38/453179238.db2.gz WBPKSPQNWDQFIB-SFHVURJKSA-N 2 0 335.492 1.563 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662484522 453200645 /nfs/dbraw/zinc/20/06/45/453200645.db2.gz KMUJALLALOOROC-CQSZACIVSA-N 2 0 334.464 1.946 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1)N1CCOCC1 ZINC000660322778 453211780 /nfs/dbraw/zinc/21/17/80/453211780.db2.gz CVVPHQIRLKGSMU-RDJZCZTQSA-N 2 0 338.496 1.128 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCCc1cccs1 ZINC000656541116 453263712 /nfs/dbraw/zinc/26/37/12/453263712.db2.gz XFNQLCHDUJJTLZ-AWEZNQCLSA-N 2 0 326.510 1.862 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=O)COCC[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000646277762 453283455 /nfs/dbraw/zinc/28/34/55/453283455.db2.gz JAWXUFQPUJDRTB-LRDDRELGSA-N 2 0 343.830 1.563 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H](N)CC[NH+](C)C)cc2)C1 ZINC000653108953 453294513 /nfs/dbraw/zinc/29/45/13/453294513.db2.gz NHMJZYIPFZHGBS-VQIMIIECSA-N 2 0 346.519 1.814 20 0 EDADRP CC[C@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000653110067 453296257 /nfs/dbraw/zinc/29/62/57/453296257.db2.gz WUHRXTWPULNCGO-QZTJIDSGSA-N 2 0 332.492 1.219 20 0 EDADRP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653111801 453297526 /nfs/dbraw/zinc/29/75/26/453297526.db2.gz BMLOWNZRPHYBGH-PXNSSMCTSA-N 2 0 343.471 1.890 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000653116552 453304353 /nfs/dbraw/zinc/30/43/53/453304353.db2.gz LPPMCQLDABSUSN-IBGZPJMESA-N 2 0 346.519 1.636 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000651195112 453346672 /nfs/dbraw/zinc/34/66/72/453346672.db2.gz CBOWGZVXDGJEPQ-MRXNPFEDSA-N 2 0 342.528 1.451 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN([C@@H]3CC[NH2+]C3)CC2)o1 ZINC000646364495 453348409 /nfs/dbraw/zinc/34/84/09/453348409.db2.gz ZVHCRAQSCQJUOS-OAHLLOKOSA-N 2 0 334.464 1.241 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000667041712 453357566 /nfs/dbraw/zinc/35/75/66/453357566.db2.gz LCQRFFJFCVHSRV-HKUYNNGSSA-N 2 0 341.459 1.986 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]2C[NH+]2CCCCC2)c1 ZINC000667045979 453361462 /nfs/dbraw/zinc/36/14/62/453361462.db2.gz KSFIIKBJMUAFQO-KRWDZBQOSA-N 2 0 344.459 1.561 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000662658401 453371127 /nfs/dbraw/zinc/37/11/27/453371127.db2.gz FEHMEAJXMCMBHJ-GGPKGHCWSA-N 2 0 327.472 1.761 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000662661166 453375296 /nfs/dbraw/zinc/37/52/96/453375296.db2.gz LSJNVTZAJRYWOI-SFHVURJKSA-N 2 0 345.487 1.530 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662673307 453388322 /nfs/dbraw/zinc/38/83/22/453388322.db2.gz JKJKMEZOUUWLMX-LSDHHAIUSA-N 2 0 334.468 1.149 20 0 EDADRP CN1CCN(C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000667083145 453394601 /nfs/dbraw/zinc/39/46/01/453394601.db2.gz NPNXDCKAZDUROR-MRXNPFEDSA-N 2 0 349.479 1.124 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1nscc1Br ZINC000651263945 453406973 /nfs/dbraw/zinc/40/69/73/453406973.db2.gz VFKVIENFHKFTJK-UHFFFAOYSA-N 2 0 349.298 1.471 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000662699844 453420338 /nfs/dbraw/zinc/42/03/38/453420338.db2.gz DOBUJJYXNXRZOP-CVEARBPZSA-N 2 0 335.473 1.538 20 0 EDADRP [NH3+]C[C@H](C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709518 453432650 /nfs/dbraw/zinc/43/26/50/453432650.db2.gz SLXRCDLAQUQZOL-SJORKVTESA-N 2 0 335.423 1.238 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662733461 453459649 /nfs/dbraw/zinc/45/96/49/453459649.db2.gz KMHXTEFNOBBNCC-LSDHHAIUSA-N 2 0 334.468 1.197 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@@H](CNC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000662743349 453471604 /nfs/dbraw/zinc/47/16/04/453471604.db2.gz YIFJNDDCPCHKKD-ROUUACIJSA-N 2 0 330.476 1.046 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662745923 453474601 /nfs/dbraw/zinc/47/46/01/453474601.db2.gz PVIZRDQPHHXRRV-AWEZNQCLSA-N 2 0 334.468 1.149 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000664919278 453484972 /nfs/dbraw/zinc/48/49/72/453484972.db2.gz ZKXBNFXXOOBLSJ-RDJZCZTQSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])c1ccc(Cl)cc1 ZINC000662753412 453488880 /nfs/dbraw/zinc/48/88/80/453488880.db2.gz QQMJXXOAKGJFTA-RBSFLKMASA-N 2 0 325.840 1.423 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662756053 453492298 /nfs/dbraw/zinc/49/22/98/453492298.db2.gz HGEJLNHBTTTZOS-HNNXBMFYSA-N 2 0 330.476 1.088 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662786518 453521082 /nfs/dbraw/zinc/52/10/82/453521082.db2.gz VIKAZZZUZTYVBY-OAHLLOKOSA-N 2 0 334.468 1.195 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831845 453558430 /nfs/dbraw/zinc/55/84/30/453558430.db2.gz CTISFIGRWOXEFC-XSLAGTTESA-N 2 0 335.492 1.620 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1cccc(OC)n1 ZINC000667332713 453565374 /nfs/dbraw/zinc/56/53/74/453565374.db2.gz JYRLHLDYDNEJNE-HNNXBMFYSA-N 2 0 349.479 1.970 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000662860514 453574874 /nfs/dbraw/zinc/57/48/74/453574874.db2.gz SCQHQRIIYCHPIE-MSOLQXFVSA-N 2 0 331.460 1.259 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000662859805 453574888 /nfs/dbraw/zinc/57/48/88/453574888.db2.gz OTVLUWSVSMTHOR-ZWKOTPCHSA-N 2 0 331.460 1.402 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000662860516 453575196 /nfs/dbraw/zinc/57/51/96/453575196.db2.gz SCQHQRIIYCHPIE-ROUUACIJSA-N 2 0 331.460 1.259 20 0 EDADRP [NH3+]CCc1nc(C(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)cs1 ZINC000662885960 453587808 /nfs/dbraw/zinc/58/78/08/453587808.db2.gz XTUHVFZXSCTCJX-CQSZACIVSA-N 2 0 332.429 1.558 20 0 EDADRP CN(C(=O)c1ccccc1CC[NH3+])[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901272 453596394 /nfs/dbraw/zinc/59/63/94/453596394.db2.gz VCDMRVMYVPTTCK-SFHVURJKSA-N 2 0 344.503 1.428 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@@H]2COCC[NH2+]2)cc1 ZINC000665255579 453626641 /nfs/dbraw/zinc/62/66/41/453626641.db2.gz XBIXRJANDRVRLU-JZGRTCEGSA-N 2 0 333.476 1.497 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)c2cc3c(s2)CC[NH2+]C3)CCO1 ZINC000662973141 453631059 /nfs/dbraw/zinc/63/10/59/453631059.db2.gz OKKZVQDKZHPSML-CQSZACIVSA-N 2 0 337.489 1.577 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C12CCC2 ZINC000665287412 453635397 /nfs/dbraw/zinc/63/53/97/453635397.db2.gz KPWHWIXPJHQFOO-IAGOWNOFSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCc3nn(C)cc32)CC1 ZINC000665289337 453636715 /nfs/dbraw/zinc/63/67/15/453636715.db2.gz LSCFZKGKZLERBB-INIZCTEOSA-N 2 0 333.480 1.378 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665291653 453638308 /nfs/dbraw/zinc/63/83/08/453638308.db2.gz HGKJMQLJQNBVBW-CJNGLKHVSA-N 2 0 327.432 1.251 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000659288105 453703205 /nfs/dbraw/zinc/70/32/05/453703205.db2.gz AAUTXJXJBCKPEV-UHFFFAOYSA-N 2 0 346.475 1.363 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000659353849 453726183 /nfs/dbraw/zinc/72/61/83/453726183.db2.gz PRPMBBCMEPLOSV-BRSBDYLESA-N 2 0 331.460 1.645 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)[C@@H]1CCC[NH3+] ZINC000659376378 453732636 /nfs/dbraw/zinc/73/26/36/453732636.db2.gz LUJVYBNHJSCOGC-IIAWOOMASA-N 2 0 334.468 1.010 20 0 EDADRP O=C(C1CC1)N1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657302387 453760457 /nfs/dbraw/zinc/76/04/57/453760457.db2.gz DMKAYUOHZOMFFI-UHFFFAOYSA-N 2 0 325.416 1.758 20 0 EDADRP CO[C@@H]1CCC[C@@H]([C@H](CO)[NH2+]CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000661216434 453762631 /nfs/dbraw/zinc/76/26/31/453762631.db2.gz RKYCCIPYWSXJJS-QRVBRYPASA-N 2 0 341.540 1.558 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657366528 453775847 /nfs/dbraw/zinc/77/58/47/453775847.db2.gz IHICROOIROCMQV-UHFFFAOYSA-N 2 0 341.459 1.411 20 0 EDADRP C[NH+]1CCC(NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000663444633 453800979 /nfs/dbraw/zinc/80/09/79/453800979.db2.gz CQVJJRIEQVJYCM-SFHVURJKSA-N 2 0 346.475 1.147 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)cc2OC)CC1 ZINC000663501848 453811496 /nfs/dbraw/zinc/81/14/96/453811496.db2.gz BGECJJOOZHVVDJ-UHFFFAOYSA-N 2 0 349.475 1.784 20 0 EDADRP c1cc(OCC[NH+]2CCCC2)ccc1CN1CCOC2(C[NH2+]C2)C1 ZINC000663512946 453813662 /nfs/dbraw/zinc/81/36/62/453813662.db2.gz LDDOKCOZKNTUJH-UHFFFAOYSA-N 2 0 331.460 1.335 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NCCCN1CCC[N@H+](C)CC1)c1ccccc1 ZINC000672250469 486673574 /nfs/dbraw/zinc/67/35/74/486673574.db2.gz KRZZDQUNJZNAMD-LJQANCHMSA-N 2 0 346.519 1.823 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(OC)cn1 ZINC000680233075 486726226 /nfs/dbraw/zinc/72/62/26/486726226.db2.gz FDIPUSNDMUTJNA-OAHLLOKOSA-N 2 0 349.479 1.970 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000416981224 486790255 /nfs/dbraw/zinc/79/02/55/486790255.db2.gz VBVMCDHHJSRRTF-GDBMZVCRSA-N 2 0 331.464 1.615 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000672740147 486786371 /nfs/dbraw/zinc/78/63/71/486786371.db2.gz TUJYZQAAHIVKQU-MSOLQXFVSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@@H](c1ccc(OC)c(OC)c1)[NH+](C)C ZINC000416816397 486786673 /nfs/dbraw/zinc/78/66/73/486786673.db2.gz JAQDBRSGJJHPSU-AWEZNQCLSA-N 2 0 338.452 1.167 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@H]2CNc3ccnn3C2)CC1 ZINC000684193984 486978422 /nfs/dbraw/zinc/97/84/22/486978422.db2.gz CLTQSVLRMFUDNP-KZNAEPCWSA-N 2 0 346.523 1.415 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000673428769 486997652 /nfs/dbraw/zinc/99/76/52/486997652.db2.gz GAEDCJSVTDTMSG-FQEVSTJZSA-N 2 0 345.487 1.811 20 0 EDADRP C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000673428771 486998051 /nfs/dbraw/zinc/99/80/51/486998051.db2.gz GAEDCJSVTDTMSG-HXUWFJFHSA-N 2 0 345.487 1.811 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCN1CCC2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000673446152 487003514 /nfs/dbraw/zinc/00/35/14/487003514.db2.gz GNHJVYSZPUUTEQ-LJQANCHMSA-N 2 0 342.487 1.402 20 0 EDADRP O=C([C@@H]1CCC[NH+]1Cc1ccccc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673519135 487043929 /nfs/dbraw/zinc/04/39/29/487043929.db2.gz YXKZITKFPPWUCI-OTWHNJEPSA-N 2 0 343.471 1.319 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCn3ccccc3=O)CC2)CC1 ZINC000677738821 487161910 /nfs/dbraw/zinc/16/19/10/487161910.db2.gz QOPSWRVOOMEJFO-UHFFFAOYSA-N 2 0 332.492 1.339 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2C[N@@H+]3CCN2CCC3)cc1 ZINC000677944675 487208285 /nfs/dbraw/zinc/20/82/85/487208285.db2.gz SKFJXHBPYXEVAP-SFHVURJKSA-N 2 0 346.475 1.346 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000674302579 487232682 /nfs/dbraw/zinc/23/26/82/487232682.db2.gz OHARHNMIMSAFDN-KRWDZBQOSA-N 2 0 333.476 1.928 20 0 EDADRP COCC(=O)NC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678183380 487262659 /nfs/dbraw/zinc/26/26/59/487262659.db2.gz MAHLIPLDMNSUDP-UHFFFAOYSA-N 2 0 349.475 1.354 20 0 EDADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1CC[NH+](C)CC1 ZINC000681970210 487268465 /nfs/dbraw/zinc/26/84/65/487268465.db2.gz QBCMPYPCQHURCB-GJZGRUSLSA-N 2 0 340.512 1.203 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)C[C@H]1C ZINC000674745698 487308058 /nfs/dbraw/zinc/30/80/58/487308058.db2.gz WWKSDCBXXVQUHA-ZBFHGGJFSA-N 2 0 336.484 1.781 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000678505773 487322470 /nfs/dbraw/zinc/32/24/70/487322470.db2.gz CMJUWAKCXMQTCV-MRXNPFEDSA-N 2 0 331.464 1.691 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000675575030 487424737 /nfs/dbraw/zinc/42/47/37/487424737.db2.gz KBVSFULFJYVHFL-MSOLQXFVSA-N 2 0 330.476 1.997 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@H](O)C1)NC[C@H]1CCCC[NH2+]1 ZINC000669556092 485558613 /nfs/dbraw/zinc/55/86/13/485558613.db2.gz FHVXRHSRQYOLJL-MSOLQXFVSA-N 2 0 346.475 1.195 20 0 EDADRP O=C(NC[C@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]CC1 ZINC000669573734 485605514 /nfs/dbraw/zinc/60/55/14/485605514.db2.gz CHSIWPFSBGATFR-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](C)C2)C1 ZINC000673770740 485722420 /nfs/dbraw/zinc/72/24/20/485722420.db2.gz DNWIRFLHTWPFPA-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP CCC[NH+]1CCC(NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC1 ZINC000343305986 485930747 /nfs/dbraw/zinc/93/07/47/485930747.db2.gz PELAITUYQWHIRE-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CN(c2ccc(CNC(=O)c3ccc(C[NH3+])o3)cn2)C[C@@H](C)O1 ZINC000237442875 485983865 /nfs/dbraw/zinc/98/38/65/485983865.db2.gz WVTSBEUNRMJDHN-CHWSQXEVSA-N 2 0 344.415 1.677 20 0 EDADRP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C2CC2)[C@H]1c1ccnn1C ZINC000347902076 486028751 /nfs/dbraw/zinc/02/87/51/486028751.db2.gz MGJYXCFMDOVAFM-HNAYVOBHSA-N 2 0 347.507 1.794 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]([C@@H](C)c3ccccc3)C2)CCO1 ZINC000669405730 486077501 /nfs/dbraw/zinc/07/75/01/486077501.db2.gz XGTBPEWVSZMSJV-LAQRGFTBSA-N 2 0 346.475 1.580 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)NC[C@H]1C[NH2+]CCO1 ZINC000669420293 486140128 /nfs/dbraw/zinc/14/01/28/486140128.db2.gz IANVRNRIEUDHBJ-ZWKOTPCHSA-N 2 0 346.475 1.186 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000669420548 486141005 /nfs/dbraw/zinc/14/10/05/486141005.db2.gz PFSUKFUCZAPCLC-KRWDZBQOSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC(C)([NH3+])CC1 ZINC000669426360 486148283 /nfs/dbraw/zinc/14/82/83/486148283.db2.gz XBRCZZBQHFRIAS-UHFFFAOYSA-N 2 0 334.464 1.650 20 0 EDADRP CCOc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)nc1C ZINC000668141109 486175817 /nfs/dbraw/zinc/17/58/17/486175817.db2.gz VUOAVLLTOZHAAD-UHFFFAOYSA-N 2 0 337.468 1.746 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000668809844 486219304 /nfs/dbraw/zinc/21/93/04/486219304.db2.gz DIKUTDHZCWVPDX-DOTOQJQBSA-N 2 0 334.464 1.266 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CC1 ZINC000669469594 486221086 /nfs/dbraw/zinc/22/10/86/486221086.db2.gz ZTNVQBGWMCDMBX-ZBFHGGJFSA-N 2 0 338.496 1.269 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC[NH+]3CCc4ccccc4C3)C[C@@H]21 ZINC000454241716 486443614 /nfs/dbraw/zinc/44/36/14/486443614.db2.gz JGXYUUUCDPWQBH-MOPGFXCFSA-N 2 0 342.487 1.780 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H](N3CCNC3=O)C2)cc1 ZINC000092188369 491202819 /nfs/dbraw/zinc/20/28/19/491202819.db2.gz RDXHQWXASOKCBF-QGZVFWFLSA-N 2 0 346.475 1.617 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CS(=O)(=O)NC)cc2)[C@H](C)C1 ZINC000131889299 491213976 /nfs/dbraw/zinc/21/39/76/491213976.db2.gz FTOVBYYZJFYIKC-PBHICJAKSA-N 2 0 339.505 1.556 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C[C@@H](C)O1 ZINC000305723498 491244750 /nfs/dbraw/zinc/24/47/50/491244750.db2.gz KSOVWLYOMIPCEJ-ZHALLVOQSA-N 2 0 341.540 1.510 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000080055549 491170553 /nfs/dbraw/zinc/17/05/53/491170553.db2.gz ATLLYXDWBGNGKA-SFHVURJKSA-N 2 0 348.491 1.699 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000080056753 491170602 /nfs/dbraw/zinc/17/06/02/491170602.db2.gz GOIGWXFDPLTMTD-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000168750209 534326161 /nfs/dbraw/zinc/32/61/61/534326161.db2.gz CNGWRNJXXXHWHS-HNNXBMFYSA-N 2 0 330.432 1.060 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000187124291 528542409 /nfs/dbraw/zinc/54/24/09/528542409.db2.gz VMIGXLMRGVMACL-GOSISDBHSA-N 2 0 348.491 1.437 20 0 EDADRP CC(C)(C)OC1CC([NH2+]CCCC[NH+]2CCN(CCO)CC2)C1 ZINC000352784187 534964914 /nfs/dbraw/zinc/96/49/14/534964914.db2.gz RLTNIJYKBXAART-UHFFFAOYSA-N 2 0 327.513 1.312 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)[NH+]1CCCCCC1 ZINC000339989561 534993244 /nfs/dbraw/zinc/99/32/44/534993244.db2.gz NNIJPYMSRCUHAC-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP CC(C)(C)c1n[nH]cc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347207189 535158408 /nfs/dbraw/zinc/15/84/08/535158408.db2.gz MMTWAMSJOUQNIJ-CQSZACIVSA-N 2 0 333.480 1.351 20 0 EDADRP CC(C)[C@H]1C[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CCCO1 ZINC000339816265 535235045 /nfs/dbraw/zinc/23/50/45/535235045.db2.gz XNUOOWZMWPYONP-QGZVFWFLSA-N 2 0 325.497 1.722 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000346870564 535264051 /nfs/dbraw/zinc/26/40/51/535264051.db2.gz WVIHBTVPCYIULO-IRXDYDNUSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346814047 535325685 /nfs/dbraw/zinc/32/56/85/535325685.db2.gz BJRCWJXFVZDZTQ-INIZCTEOSA-N 2 0 325.497 1.629 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262775743 535692171 /nfs/dbraw/zinc/69/21/71/535692171.db2.gz BQCPSWKZEOJWLW-LJQANCHMSA-N 2 0 332.492 1.394 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC3C[C@H]4CC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000236860674 535745009 /nfs/dbraw/zinc/74/50/09/535745009.db2.gz VXWYMNKBGZSDQG-JWTNVVGKSA-N 2 0 342.487 1.841 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CCC(=O)NC)CC1 ZINC000271805992 535746835 /nfs/dbraw/zinc/74/68/35/535746835.db2.gz NMKKEVQATZCXMI-CQSZACIVSA-N 2 0 336.455 1.754 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262717679 535849591 /nfs/dbraw/zinc/84/95/91/535849591.db2.gz WPBDAJAWCMYTJA-YSVLISHTSA-N 2 0 346.475 1.696 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000262719422 535850051 /nfs/dbraw/zinc/85/00/51/535850051.db2.gz YCFIJMOLGFUNNS-SUMWQHHRSA-N 2 0 346.475 1.696 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262717676 535850222 /nfs/dbraw/zinc/85/02/22/535850222.db2.gz WPBDAJAWCMYTJA-JLJPHGGASA-N 2 0 346.475 1.696 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@]3(C)CC[NH2+]C3)ccc2oc1=O ZINC000236991038 535933806 /nfs/dbraw/zinc/93/38/06/535933806.db2.gz UTFGMWXCRGIZRJ-KRWDZBQOSA-N 2 0 332.404 1.094 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261626186 536110873 /nfs/dbraw/zinc/11/08/73/536110873.db2.gz CPIXIIRRBBJDET-UAGQMJEPSA-N 2 0 337.489 1.496 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)s1 ZINC000262029786 536303087 /nfs/dbraw/zinc/30/30/87/536303087.db2.gz GUNUMUSEOTUJOL-UHFFFAOYSA-N 2 0 346.294 1.764 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000270530036 536334445 /nfs/dbraw/zinc/33/44/45/536334445.db2.gz AZMBOOIWYSPBDJ-RBUKOAKNSA-N 2 0 345.487 1.327 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000237077750 536354965 /nfs/dbraw/zinc/35/49/65/536354965.db2.gz PVCHMVBJMJAPDC-MSOLQXFVSA-N 2 0 330.476 1.315 20 0 EDADRP C[NH2+][C@@H]1CCCN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000261683546 536360960 /nfs/dbraw/zinc/36/09/60/536360960.db2.gz DIFLTXLJGCAPBD-LJQANCHMSA-N 2 0 344.503 1.582 20 0 EDADRP COCC1(C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC[NH2+]CC1 ZINC000262327796 536809982 /nfs/dbraw/zinc/80/99/82/536809982.db2.gz DRUWNQKTXXNDOU-UHFFFAOYSA-N 2 0 339.524 1.877 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=S)NCC(C)(C)C[NH+](C)C)CC1 ZINC000727075855 578515779 /nfs/dbraw/zinc/51/57/79/578515779.db2.gz NDNGRLDAAJGWPA-OAHLLOKOSA-N 2 0 343.585 1.064 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2C[NH+]3CCC[C@H]3CO2)CC1 ZINC000729618651 578585005 /nfs/dbraw/zinc/58/50/05/578585005.db2.gz KQPCCUCZRKWLAG-JKSUJKDBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH+]2CCCC2)CC[N@@H+]1C[C@H](O)c1ccccc1 ZINC000729929098 578604087 /nfs/dbraw/zinc/60/40/87/578604087.db2.gz BAVCVYIJUMSIOS-RLLQIKCJSA-N 2 0 347.503 1.183 20 0 EDADRP COC1CC[NH+](C2(CNC(=S)NCC[NH+](C)C)CCCC2)CC1 ZINC000730737908 578656618 /nfs/dbraw/zinc/65/66/18/578656618.db2.gz SZBRIWACCQRMPS-UHFFFAOYSA-N 2 0 342.553 1.436 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=S)NCC1CC[NH+](C)CC1 ZINC000760481833 580031748 /nfs/dbraw/zinc/03/17/48/580031748.db2.gz FRODXKJDSBUVQM-UHFFFAOYSA-N 2 0 349.548 1.662 20 0 EDADRP CC[C@H]1CN(C(=S)NC[C@H]2CCC[NH+]2CC)CC[N@@H+]1CCOC ZINC000735247613 578871480 /nfs/dbraw/zinc/87/14/80/578871480.db2.gz XUGJQIYXBBYKMX-JKSUJKDBSA-N 2 0 342.553 1.388 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1SCCS1 ZINC000761155960 580050027 /nfs/dbraw/zinc/05/00/27/580050027.db2.gz NBUAULKCCJXWFE-ZDUSSCGKSA-N 2 0 331.551 1.667 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCc2ccc(N3CCOCC3)nc2)C1 ZINC000744452664 579511157 /nfs/dbraw/zinc/51/11/57/579511157.db2.gz NRVOCFUBJZCOMA-OAHLLOKOSA-N 2 0 347.463 1.059 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCC(F)(F)F ZINC000751011825 579791280 /nfs/dbraw/zinc/79/12/80/579791280.db2.gz OZWMQWCTTXSTRA-LBPRGKRZSA-N 2 0 340.459 1.771 20 0 EDADRP Cn1c(Cl)nc(Cl)c1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000752262484 579843598 /nfs/dbraw/zinc/84/35/98/579843598.db2.gz QQWRBZALEWLVPC-UHFFFAOYSA-N 2 0 334.295 1.844 20 0 EDADRP C[C@@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)N1CC[NH+](C)CC1 ZINC000753369314 579878033 /nfs/dbraw/zinc/87/80/33/579878033.db2.gz URXSTIACCRFWMA-AWEZNQCLSA-N 2 0 331.489 1.931 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnc(Br)c1 ZINC000758222602 579977381 /nfs/dbraw/zinc/97/73/81/579977381.db2.gz KPMGHMSWGIHECA-UHFFFAOYSA-N 2 0 343.269 1.410 20 0 EDADRP C[C@@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000766124388 580159709 /nfs/dbraw/zinc/15/97/09/580159709.db2.gz XBZGPTOUHYPMOY-OAHLLOKOSA-N 2 0 331.460 1.921 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(=O)C2CC2)CC1 ZINC000767395655 580188377 /nfs/dbraw/zinc/18/83/77/580188377.db2.gz HELZKLDRUOAXMT-UHFFFAOYSA-N 2 0 337.508 1.772 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000769514680 580238897 /nfs/dbraw/zinc/23/88/97/580238897.db2.gz ATXBISYIGCPUCD-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC12OCCO2 ZINC000773951957 580350071 /nfs/dbraw/zinc/35/00/71/580350071.db2.gz FSAGUIHSDGTKRP-INIZCTEOSA-N 2 0 341.496 1.262 20 0 EDADRP C[NH+]1CCN(C[C@H]([NH2+]C2CCN(C=O)CC2)c2ccccc2)CC1 ZINC000774168164 580355665 /nfs/dbraw/zinc/35/56/65/580355665.db2.gz FYFRGKCEZKIKIB-IBGZPJMESA-N 2 0 330.476 1.186 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)CC1 ZINC000788473747 580722291 /nfs/dbraw/zinc/72/22/91/580722291.db2.gz KDFJWUISFHQXFB-UHFFFAOYSA-N 2 0 348.466 1.724 20 0 EDADRP CC(C)(CNC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C[NH+]1CCCC1 ZINC000790290967 580766137 /nfs/dbraw/zinc/76/61/37/580766137.db2.gz RJPMLMMVNITIPM-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP CON(C)C(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796445446 580954016 /nfs/dbraw/zinc/95/40/16/580954016.db2.gz UVRDYQWRHITDLZ-LJQANCHMSA-N 2 0 331.460 1.994 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(Cc2c3c(nn2C)CCC3)CC1 ZINC000891844449 590652504 /nfs/dbraw/zinc/65/25/04/590652504.db2.gz DXUYYTKYCXYMPI-IRXDYDNUSA-N 2 0 345.535 1.899 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCC1(F)F)NC1CC([NH+]2CCCCC2)C1 ZINC000891866642 590662893 /nfs/dbraw/zinc/66/28/93/590662893.db2.gz DZXJXOQBUSSFSJ-IYXRBSQSSA-N 2 0 330.423 1.547 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NCC[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000891881897 590669353 /nfs/dbraw/zinc/66/93/53/590669353.db2.gz MVZXDTQNJCUZLX-HDICACEKSA-N 2 0 328.460 1.248 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2C[C@H](C[NH3+])[C@H](C(F)(F)F)C2)C1 ZINC000891954122 590704880 /nfs/dbraw/zinc/70/48/80/590704880.db2.gz CQCRYROWMXEPCM-FRRDWIJNSA-N 2 0 336.402 1.497 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000892040218 590766576 /nfs/dbraw/zinc/76/65/76/590766576.db2.gz JXKUSNJJHZAGCS-DOTOQJQBSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000892042646 590767129 /nfs/dbraw/zinc/76/71/29/590767129.db2.gz QVIAEZAXOIRIIU-RHSMWYFYSA-N 2 0 346.475 1.664 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)cc1 ZINC000892043299 590769286 /nfs/dbraw/zinc/76/92/86/590769286.db2.gz VJVSNGLXCYDOAZ-ZLKJLUDKSA-N 2 0 344.381 1.985 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000892046842 590770929 /nfs/dbraw/zinc/77/09/29/590770929.db2.gz RRDMWPWCBDITOP-JQHSSLGASA-N 2 0 330.476 1.806 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000892059966 590778793 /nfs/dbraw/zinc/77/87/93/590778793.db2.gz KWBRHISZNOGITD-PKOBYXMFSA-N 2 0 346.475 1.741 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)N[C@@H](C)CCC[NH3+])C1 ZINC000892139291 590819008 /nfs/dbraw/zinc/81/90/08/590819008.db2.gz MYSNCQFRIFTLSE-WMZOPIPTSA-N 2 0 348.491 1.622 20 0 EDADRP [NH3+][C@H](CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F)Cc1ccccc1 ZINC000892157513 590829244 /nfs/dbraw/zinc/82/92/44/590829244.db2.gz UDIDWIKRACVMBQ-KGLIPLIRSA-N 2 0 326.391 1.243 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CCc3sc(C[NH3+])nc3C2)CC1 ZINC000892187207 590853797 /nfs/dbraw/zinc/85/37/97/590853797.db2.gz AWHMPMKWECWYOC-UHFFFAOYSA-N 2 0 337.493 1.542 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892189411 590856318 /nfs/dbraw/zinc/85/63/18/590856318.db2.gz SYWSFANFMQYNGT-UYSNPLJNSA-N 2 0 338.496 1.317 20 0 EDADRP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@@H]1CC[NH2+]C1 ZINC000892256956 590890221 /nfs/dbraw/zinc/89/02/21/590890221.db2.gz GDHQSFMFSDSSCF-KBAYOESNSA-N 2 0 346.475 1.534 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCN(C)CC[N@H+](C)CC2)cc1 ZINC000888985375 590955706 /nfs/dbraw/zinc/95/57/06/590955706.db2.gz VSIYNJSRCQQQFX-UHFFFAOYSA-N 2 0 346.519 1.848 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000892344414 590973171 /nfs/dbraw/zinc/97/31/71/590973171.db2.gz RLYUYUCFECRZNQ-OAHLLOKOSA-N 2 0 330.476 1.816 20 0 EDADRP CC1(C)CC[C@@H](CNC(=O)N2CCc3sc(C[NH3+])nc3C2)[NH2+]C1 ZINC000892378580 591000921 /nfs/dbraw/zinc/00/09/21/591000921.db2.gz UAAFRJZWDCOANG-NSHDSACASA-N 2 0 337.493 1.448 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CC1 ZINC000892494321 591048737 /nfs/dbraw/zinc/04/87/37/591048737.db2.gz BPKKUCDFDNEILX-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1C(F)(F)F ZINC000891365712 591062577 /nfs/dbraw/zinc/06/25/77/591062577.db2.gz NOTOPVHQOWXXOL-DMDPSCGWSA-N 2 0 334.386 1.249 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000891446823 591074886 /nfs/dbraw/zinc/07/48/86/591074886.db2.gz RHFJKUKNCGBRFO-MNEFBYGVSA-N 2 0 342.487 1.969 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891464845 591080839 /nfs/dbraw/zinc/08/08/39/591080839.db2.gz JILWPNKKRVYJQP-AWEZNQCLSA-N 2 0 332.439 1.652 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(Cc3ccc4c(c3)OCCO4)CC2)CC1 ZINC000891489160 591091486 /nfs/dbraw/zinc/09/14/86/591091486.db2.gz GUDWZPLZEBBWNX-UHFFFAOYSA-N 2 0 345.487 1.917 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000892611676 591095451 /nfs/dbraw/zinc/09/54/51/591095451.db2.gz ZFNOOECLLDMBIC-GDBMZVCRSA-N 2 0 340.489 1.540 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000891535533 591111324 /nfs/dbraw/zinc/11/13/24/591111324.db2.gz UFTZPJIVZVGLLK-FUHWJXTLSA-N 2 0 332.492 1.943 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891538124 591113203 /nfs/dbraw/zinc/11/32/03/591113203.db2.gz QFKFTJPKXTWEGS-AEFFLSMTSA-N 2 0 338.496 1.272 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)NCc3cc(N)cc(F)c3)C2)CC1 ZINC000891560797 591125694 /nfs/dbraw/zinc/12/56/94/591125694.db2.gz PLQQZVDWWZXDMX-MRXNPFEDSA-N 2 0 349.454 1.376 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H]2CCCCC23CC[NH2+]CC3)C1 ZINC000891576707 591133233 /nfs/dbraw/zinc/13/32/33/591133233.db2.gz NMGJJFXLAHWTQW-CVEARBPZSA-N 2 0 338.496 1.319 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892755189 591163362 /nfs/dbraw/zinc/16/33/62/591163362.db2.gz FZIIEEKIODJWSB-CVEARBPZSA-N 2 0 338.496 1.269 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764670 591166207 /nfs/dbraw/zinc/16/62/07/591166207.db2.gz WDJYHFGOXQDNNN-LNLFQRSKSA-N 2 0 345.491 1.056 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000891658959 591172046 /nfs/dbraw/zinc/17/20/46/591172046.db2.gz BXRYEWCSQDWTFA-BLFANLJRSA-N 2 0 334.386 1.390 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673671 591179763 /nfs/dbraw/zinc/17/97/63/591179763.db2.gz QLWRRJQQSANEHV-PWSUYJOCSA-N 2 0 335.477 1.152 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891673668 591179990 /nfs/dbraw/zinc/17/99/90/591179990.db2.gz QLWRRJQQSANEHV-CMPLNLGQSA-N 2 0 335.477 1.152 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCCCC[C@H]([NH3+])C2)ccn1 ZINC000891728351 591201134 /nfs/dbraw/zinc/20/11/34/591201134.db2.gz XFMLNDDKMNELGC-INIZCTEOSA-N 2 0 349.479 1.435 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891757895 591213790 /nfs/dbraw/zinc/21/37/90/591213790.db2.gz ADALDFRRUNCGKE-DKIMLUQUSA-N 2 0 328.460 1.653 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N1CC[C@H]([NH+]3CCCCC3)C1)C2 ZINC000892882657 591214103 /nfs/dbraw/zinc/21/41/03/591214103.db2.gz ODZXOPSRHJJVNP-ZDUSSCGKSA-N 2 0 349.504 1.640 20 0 EDADRP COC(=O)[C@H]1[C@H](C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(F)F ZINC000894189862 591220358 /nfs/dbraw/zinc/22/03/58/591220358.db2.gz FSQXBNHAYPMEBF-LSDHHAIUSA-N 2 0 342.386 1.771 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000892932138 591229496 /nfs/dbraw/zinc/22/94/96/591229496.db2.gz DDIHUSNMOUFMKA-MRXNPFEDSA-N 2 0 338.496 1.354 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2ccccc2OCC[NH+](C)C)C1(F)F ZINC000894208803 591230129 /nfs/dbraw/zinc/23/01/29/591230129.db2.gz LPSAZTZNIWYRMA-HIFRSBDPSA-N 2 0 342.386 1.771 20 0 EDADRP COCC[N@@H+](Cc1c2c(nn1C)CCOC2)CC1CC[NH+](C)CC1 ZINC000895691347 591250621 /nfs/dbraw/zinc/25/06/21/591250621.db2.gz GIWORRMJIRXGRZ-UHFFFAOYSA-N 2 0 336.480 1.283 20 0 EDADRP COc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc1N[C@H]1CC[NH+](C)[C@@H]1C ZINC000895740196 591262281 /nfs/dbraw/zinc/26/22/81/591262281.db2.gz MFSQHTQRRZWEPR-YIYPIFLZSA-N 2 0 334.468 1.494 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)c1 ZINC000895767740 591268389 /nfs/dbraw/zinc/26/83/89/591268389.db2.gz ATVWCOHHIYGNNY-IBGZPJMESA-N 2 0 345.487 1.865 20 0 EDADRP Cn1cc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c(C2CC2)n1 ZINC000894458721 591317010 /nfs/dbraw/zinc/31/70/10/591317010.db2.gz YCEXPNKBAPPFLM-UHFFFAOYSA-N 2 0 331.508 1.757 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H](C)C2CCN(S(C)(=O)=O)CC2)C1 ZINC000894454957 591317159 /nfs/dbraw/zinc/31/71/59/591317159.db2.gz CQNAORGGLZFKQS-CABCVRRESA-N 2 0 331.526 1.366 20 0 EDADRP CN(Cc1cnc2n1CCOC2)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000894459877 591318626 /nfs/dbraw/zinc/31/86/26/591318626.db2.gz QVCBFJLGOVGQDY-MRXNPFEDSA-N 2 0 333.480 1.014 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+][C@]2(CO)CCOC2)c2c1OC(F)(F)O2 ZINC000894461741 591319064 /nfs/dbraw/zinc/31/90/64/591319064.db2.gz WELPCMORPZXUFB-HNNXBMFYSA-N 2 0 344.358 1.311 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1)c1ccccc1 ZINC000896149229 591363796 /nfs/dbraw/zinc/36/37/96/591363796.db2.gz SCNGMGCOTKGHGC-QAPCUYQASA-N 2 0 345.487 1.953 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)C1 ZINC000897469667 591471183 /nfs/dbraw/zinc/47/11/83/591471183.db2.gz OJRNALJLMWJDKL-INIZCTEOSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[C@@H]1C[NH+](C)CCN1C ZINC000896541785 591505661 /nfs/dbraw/zinc/50/56/61/591505661.db2.gz IDDNXFOKEYGBTG-SZMVWBNQSA-N 2 0 336.524 1.534 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000729612084 591560034 /nfs/dbraw/zinc/56/00/34/591560034.db2.gz USAMNBGHNFJKHF-UHFFFAOYSA-N 2 0 336.480 1.468 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NCC[N@@H+]2CCCC2(C)C)CC1 ZINC000909428134 591560281 /nfs/dbraw/zinc/56/02/81/591560281.db2.gz BCPMEECFSVXIIO-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897058125 591726333 /nfs/dbraw/zinc/72/63/33/591726333.db2.gz NFZYLMNFTNSTRK-SFHVURJKSA-N 2 0 349.450 1.437 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000897101559 591740175 /nfs/dbraw/zinc/74/01/75/591740175.db2.gz ONVKCKIADFVGMA-MRXNPFEDSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H](C(=O)N1CCC(CO)([NH2+]CC2CC2)CC1)[NH+]1CCCCCC1 ZINC000898118648 591788081 /nfs/dbraw/zinc/78/80/81/591788081.db2.gz QUWZLOODCBVYMO-MRXNPFEDSA-N 2 0 337.508 1.604 20 0 EDADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000895525887 591788659 /nfs/dbraw/zinc/78/86/59/591788659.db2.gz CRQMSAWHJMKAHA-IBGZPJMESA-N 2 0 343.471 1.442 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000900191880 591935127 /nfs/dbraw/zinc/93/51/27/591935127.db2.gz JEWPPHGSKXLFSX-UHFFFAOYSA-N 2 0 332.448 1.989 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[C@@]1(O)CCC[NH+](C)C1 ZINC000900229968 591957379 /nfs/dbraw/zinc/95/73/79/591957379.db2.gz WHHSEXLZVHADGP-FQEVSTJZSA-N 2 0 347.503 1.990 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C[C@@H](O)C3(O)CCC3)cc2)C[C@@H](C)O1 ZINC000899870284 591966735 /nfs/dbraw/zinc/96/67/35/591966735.db2.gz LRWAFVRFUBYYPY-GPMSIDNRSA-N 2 0 348.487 1.661 20 0 EDADRP CC[NH+](CC)CCOc1cccc(N2C(=O)N[C@H](C[NH+](C)C)C2=O)c1 ZINC000900281977 591970274 /nfs/dbraw/zinc/97/02/74/591970274.db2.gz LHKRHWFUCUJNKT-MRXNPFEDSA-N 2 0 348.447 1.394 20 0 EDADRP C[C@@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)C1([NH3+])CC1 ZINC000902347231 591978168 /nfs/dbraw/zinc/97/81/68/591978168.db2.gz HPIPPNXSBMEUGV-PBHICJAKSA-N 2 0 330.476 1.353 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[N@@H+]2CCC23CC[NH+](C)CC3)cc1 ZINC000899910792 591979318 /nfs/dbraw/zinc/97/93/18/591979318.db2.gz NBRHGLKCFCPFSA-GOSISDBHSA-N 2 0 348.487 1.785 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)C3([NH3+])CC3)CC2)cc1 ZINC000902335268 591980592 /nfs/dbraw/zinc/98/05/92/591980592.db2.gz UEMBJARZUHGKAK-CQSZACIVSA-N 2 0 337.489 1.618 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)C1 ZINC000902337722 591980682 /nfs/dbraw/zinc/98/06/82/591980682.db2.gz SAESZTBUTIUSFS-QGZVFWFLSA-N 2 0 346.523 1.357 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000899927296 591984082 /nfs/dbraw/zinc/98/40/82/591984082.db2.gz OSLNDIAGMVITGR-MJGOQNOKSA-N 2 0 331.460 1.222 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000902358792 591986445 /nfs/dbraw/zinc/98/64/45/591986445.db2.gz DDYQZUWNICZJCB-QUCCMNQESA-N 2 0 331.504 1.991 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)C1 ZINC000902400233 591990874 /nfs/dbraw/zinc/99/08/74/591990874.db2.gz YXOKHBQWCLSERR-ZWKOTPCHSA-N 2 0 332.492 1.650 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C1 ZINC000902402752 591991032 /nfs/dbraw/zinc/99/10/32/591991032.db2.gz DVNUCBXHWCOQKZ-LJQANCHMSA-N 3 0 330.520 1.960 20 0 EDADRP C/C(=C\C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1)CN1CCOCC1 ZINC000900352215 591992682 /nfs/dbraw/zinc/99/26/82/591992682.db2.gz CXICDNRBQZBZJU-MPRSVLFKSA-N 2 0 337.508 1.748 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900354170 591993304 /nfs/dbraw/zinc/99/33/04/591993304.db2.gz UXXIPUPRAJCPDI-OAGGEKHMSA-N 2 0 335.496 1.541 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC[NH+](C[C@@H]2CCCO2)CC1 ZINC000900419691 592013689 /nfs/dbraw/zinc/01/36/89/592013689.db2.gz VXWGUJZJLYEGRS-SQNIBIBYSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900429338 592016091 /nfs/dbraw/zinc/01/60/91/592016091.db2.gz PATWURJSPKMLLA-NTDBWNAOSA-N 2 0 337.508 1.697 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)C2CCC([NH+]3CCOCC3)CC2)n1 ZINC000900442404 592019815 /nfs/dbraw/zinc/01/98/15/592019815.db2.gz NPWDMOJOTZUSKY-UHFFFAOYSA-N 2 0 349.479 1.274 20 0 EDADRP C[NH+](C)CCOc1cccc(NC(=O)c2ccnn2CC[NH+](C)C)c1 ZINC000900455868 592022975 /nfs/dbraw/zinc/02/29/75/592022975.db2.gz FLHJUGMRFCZXSH-UHFFFAOYSA-N 2 0 345.447 1.637 20 0 EDADRP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900601535 592065913 /nfs/dbraw/zinc/06/59/13/592065913.db2.gz XYNCCHJGVHLPMA-WZOJCFFYSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)CCN(C(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900660897 592083890 /nfs/dbraw/zinc/08/38/90/592083890.db2.gz XOOWGXGJMDHLJS-GOSISDBHSA-N 2 0 325.497 1.556 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC000900692887 592097204 /nfs/dbraw/zinc/09/72/04/592097204.db2.gz KZEDZLSSOJKIMV-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)C[C@@H](O)C[NH+]2C)C1 ZINC000900710258 592101352 /nfs/dbraw/zinc/10/13/52/592101352.db2.gz LVKIFZXECCDUKB-SFNKJDCFSA-N 2 0 337.508 1.555 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)c3ccnn3CC[NH+](C)C)CC2)CC1 ZINC000900732355 592112060 /nfs/dbraw/zinc/11/20/60/592112060.db2.gz RZWLLUPVKFDVPF-UHFFFAOYSA-N 2 0 347.507 1.781 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217879 592140988 /nfs/dbraw/zinc/14/09/88/592140988.db2.gz FMIQEPAHFUOIAR-RYRKJORJSA-N 2 0 330.476 1.750 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)[C@H]2CCC[C@H]21 ZINC000903234891 592146292 /nfs/dbraw/zinc/14/62/92/592146292.db2.gz QVYPLESILFGZHB-BQJWPVKWSA-N 2 0 343.537 1.557 20 0 EDADRP C[NH+](C)CC[C@@H](NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000903377660 592163693 /nfs/dbraw/zinc/16/36/93/592163693.db2.gz MYCKEEKNVFXSJG-RTBURBONSA-N 2 0 332.492 1.917 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000903423566 592171104 /nfs/dbraw/zinc/17/11/04/592171104.db2.gz WXLBMKQLZXSIEF-AWEZNQCLSA-N 2 0 345.443 1.358 20 0 EDADRP COC[C@H](C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1)C(C)C ZINC000903464122 592172525 /nfs/dbraw/zinc/17/25/25/592172525.db2.gz AQGCLQKBMHCLIC-IMJJTQAJSA-N 2 0 325.453 1.162 20 0 EDADRP C[C@@H]1C[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)C[C@H]1CC[NH3+] ZINC000903499739 592179522 /nfs/dbraw/zinc/17/95/22/592179522.db2.gz ZKGDYJPIUVDFDZ-HUUCEWRRSA-N 2 0 345.443 1.216 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+](C[C@H](OC)c1ccc(F)cc1)C2 ZINC000903494539 592186696 /nfs/dbraw/zinc/18/66/96/592186696.db2.gz IZOPLKCQOJGVGC-DNMXQMFDSA-N 2 0 336.407 1.726 20 0 EDADRP CO[C@H](C)c1noc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903508904 592189425 /nfs/dbraw/zinc/18/94/25/592189425.db2.gz ZFFHNBXCBMWKKY-YUELXQCFSA-N 2 0 335.452 1.178 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC000900978936 592191488 /nfs/dbraw/zinc/19/14/88/592191488.db2.gz MFDZTPAOAKEBMT-TVPLGVNVSA-N 2 0 337.508 1.747 20 0 EDADRP O=C1CC[C@@H]([NH2+]CC[C@H]2CC2(Cl)Cl)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525685 592197918 /nfs/dbraw/zinc/19/79/18/592197918.db2.gz OSVMMBUMBIQOHG-SCRDCRAPSA-N 2 0 334.291 1.807 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903526738 592198171 /nfs/dbraw/zinc/19/81/71/592198171.db2.gz KVCBOQUMBNCCQJ-QUCCMNQESA-N 3 0 342.487 1.069 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525990 592198447 /nfs/dbraw/zinc/19/84/47/592198447.db2.gz YUCCYHKKPMAGSA-QUCCMNQESA-N 3 0 342.487 1.069 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906647208 592231907 /nfs/dbraw/zinc/23/19/07/592231907.db2.gz POHXCCLFHHFNMZ-MRXNPFEDSA-N 2 0 338.540 1.497 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)[N@H+](C)C1CC1 ZINC000906649774 592233749 /nfs/dbraw/zinc/23/37/49/592233749.db2.gz GZQKJBPABGWTEX-GFCCVEGCSA-N 2 0 332.448 1.418 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000904351492 592237019 /nfs/dbraw/zinc/23/70/19/592237019.db2.gz ZUZMLPKLKFIAJG-SJORKVTESA-N 3 0 332.492 1.901 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)Nc2cccc(OCCC[NH+](C)C)c2)C1 ZINC000906656496 592238442 /nfs/dbraw/zinc/23/84/42/592238442.db2.gz PUYBQIOFWFAUOE-UHFFFAOYSA-N 2 0 348.491 1.449 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccc(N4CC[NH2+]CC4)o3)CC2)C1 ZINC000904372274 592239790 /nfs/dbraw/zinc/23/97/90/592239790.db2.gz AFVUNMRBWHZFTJ-AEFFLSMTSA-N 3 0 348.491 1.408 20 0 EDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cn(Cc3cccnc3)nn1)CC2 ZINC000904392292 592243013 /nfs/dbraw/zinc/24/30/13/592243013.db2.gz OWZDAOOXUVAEAD-QGZVFWFLSA-N 2 0 342.447 1.051 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906665558 592247807 /nfs/dbraw/zinc/24/78/07/592247807.db2.gz ZECRFUQGLGDOII-CZUORRHYSA-N 2 0 346.475 1.618 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906666354 592247846 /nfs/dbraw/zinc/24/78/46/592247846.db2.gz PAAKLHUNLNBXNJ-UHFFFAOYSA-N 2 0 346.475 1.763 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[N@@H+]2C[C@@H]3CCC[C@]3(c3nc(-c4cnccn4)no3)C2)C1 ZINC000904386251 592248710 /nfs/dbraw/zinc/24/87/10/592248710.db2.gz UJCADUILZCYYQB-FLTUCWPJSA-N 2 0 340.431 1.617 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)C1 ZINC000904417001 592252547 /nfs/dbraw/zinc/25/25/47/592252547.db2.gz WMFNUNPJUSZCGH-DLBZAZTESA-N 3 0 336.524 1.285 20 0 EDADRP COc1cc(CN2CC[NH2+]CC[NH2+]CC2)c(SC)cc1OC ZINC000904398162 592252709 /nfs/dbraw/zinc/25/27/09/592252709.db2.gz MBESQWXYPNQEJL-UHFFFAOYSA-N 2 0 325.478 1.421 20 0 EDADRP Cc1csc(C[C@H]2CC[N@H+](C[C@@H]3CCCN(C(=O)C[NH3+])C3)C2)n1 ZINC000904432616 592254469 /nfs/dbraw/zinc/25/44/69/592254469.db2.gz DFXOXZPDQOTBQH-CABCVRRESA-N 2 0 336.505 1.513 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCCCC[NH+]2CCN(CC)CC2)C1 ZINC000906675418 592256545 /nfs/dbraw/zinc/25/65/45/592256545.db2.gz WYBPZWNTXVQPSZ-SFHVURJKSA-N 2 0 338.540 1.642 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3CCO)c1 ZINC000904501417 592272506 /nfs/dbraw/zinc/27/25/06/592272506.db2.gz YVKMEBVGASPCQV-SJORKVTESA-N 2 0 348.447 1.087 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[NH2+]CC2(C)C)cc1 ZINC000906704776 592276861 /nfs/dbraw/zinc/27/68/61/592276861.db2.gz JEFVJQMBTYEQEX-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP NC(=O)c1ccc(C[N@H+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C2CC2)cc1 ZINC000903725457 592284701 /nfs/dbraw/zinc/28/47/01/592284701.db2.gz ZVVDJUPHOUVNSX-HKUYNNGSSA-N 2 0 329.444 1.519 20 0 EDADRP O=C(NCC1CC1)[C@@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725170 592285294 /nfs/dbraw/zinc/28/52/94/592285294.db2.gz XOHZTWCZFAIODJ-SJORKVTESA-N 2 0 335.492 1.383 20 0 EDADRP Cc1ccc(N(C)C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)nn1 ZINC000903739154 592300049 /nfs/dbraw/zinc/30/00/49/592300049.db2.gz DDESWLBGJUSAKK-HKUYNNGSSA-N 2 0 345.491 1.454 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)Nc3ccccc3C[NH3+])CC2)CC1 ZINC000904645160 592302742 /nfs/dbraw/zinc/30/27/42/592302742.db2.gz TUXBCPCHDSXHOL-UHFFFAOYSA-N 2 0 345.491 1.825 20 0 EDADRP Cc1nc(CN(C)[C@H]2CC[N@H+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)C2)no1 ZINC000903741690 592303371 /nfs/dbraw/zinc/30/33/71/592303371.db2.gz RLYIZXSELULUJT-HOTGVXAUSA-N 2 0 349.479 1.043 20 0 EDADRP CC[C@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCN1CC(F)F ZINC000903756840 592314118 /nfs/dbraw/zinc/31/41/18/592314118.db2.gz WMPQMTMEBAHYGA-GJZGRUSLSA-N 2 0 331.451 1.806 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)nn1 ZINC000903778365 592319577 /nfs/dbraw/zinc/31/95/77/592319577.db2.gz LXKRIJQVCPPJGD-FRRDWIJNSA-N 2 0 333.358 1.484 20 0 EDADRP CC(=O)Nc1ccc2c(c1)C[N@@H+](C[C@@H]1C[C@]3(CC[NH2+]C3)CO1)CC2 ZINC000903781153 592319923 /nfs/dbraw/zinc/31/99/23/592319923.db2.gz OYNLZXTZYUBZHA-OALUTQOASA-N 2 0 329.444 1.772 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(c3ccnn3C)CC2)cnn1C ZINC000903888817 592351043 /nfs/dbraw/zinc/35/10/43/592351043.db2.gz LKXYDBGXJSNNLW-HNNXBMFYSA-N 2 0 330.480 1.459 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)[C@H]2CCCc3c2cnn3C)cnn1C ZINC000903897879 592368929 /nfs/dbraw/zinc/36/89/29/592368929.db2.gz KAWOHCBCUBXOHR-YOEHRIQHSA-N 2 0 330.480 1.589 20 0 EDADRP COc1cccc2c1CC[C@@H]2[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903919513 592377315 /nfs/dbraw/zinc/37/73/15/592377315.db2.gz DHEIBYZJEPKBHI-GUYCJALGSA-N 2 0 327.432 1.988 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CNc2ccc3c(c2)C[NH2+]CCO3)cnn1C ZINC000903919670 592377534 /nfs/dbraw/zinc/37/75/34/592377534.db2.gz PLCBSIJHGGSMMG-CQSZACIVSA-N 2 0 329.448 1.440 20 0 EDADRP O=C1[C@H]([NH2+]Cc2cccc3c2CC[NH2+]C3)CCCN1CC(F)(F)F ZINC000903926425 592381228 /nfs/dbraw/zinc/38/12/28/592381228.db2.gz RZBVCPYPUSGNDN-OAHLLOKOSA-N 2 0 341.377 1.975 20 0 EDADRP CN(c1ccccc1)[C@@H]1CC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903933816 592384490 /nfs/dbraw/zinc/38/44/90/592384490.db2.gz VZVQKLZVCNXNCH-ZWKOTPCHSA-N 2 0 340.475 1.913 20 0 EDADRP COC(=O)c1cn([C@H]2CCC[N@H+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)nn1 ZINC000903917521 592390866 /nfs/dbraw/zinc/39/08/66/592390866.db2.gz ZFNLHHQJGPYJNB-DKUMPPAJSA-N 2 0 333.436 1.232 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+]2CCC[C@H](c3ccn(C)n3)C2)cnn1C ZINC000903988410 592407451 /nfs/dbraw/zinc/40/74/51/592407451.db2.gz QPVHSBRUQIAOJQ-CVEARBPZSA-N 2 0 330.480 1.459 20 0 EDADRP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1(O)CCOCC1 ZINC000905098168 592422154 /nfs/dbraw/zinc/42/21/54/592422154.db2.gz PXTRJYRHQCYEIH-RBUKOAKNSA-N 2 0 348.487 1.043 20 0 EDADRP C[N@@H+]1CC[C@H](Cc2nc(-c3ccnc(N4CC[NH+](C)CC4)c3)no2)C1 ZINC000904104061 592427027 /nfs/dbraw/zinc/42/70/27/592427027.db2.gz LCHYIHZDCODKFS-CQSZACIVSA-N 2 0 342.447 1.378 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)CC1(O)CCCCC1 ZINC000905126422 592427132 /nfs/dbraw/zinc/42/71/32/592427132.db2.gz FMKWXLWTDYMHNT-SJLPKXTDSA-N 2 0 340.508 1.523 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CCC([NH+]4CCOCC4)CC3)C[C@H]2C1 ZINC000908291601 592434749 /nfs/dbraw/zinc/43/47/49/592434749.db2.gz UDTUAXBXLWXKBV-QLOLRVAOSA-N 2 0 335.492 1.288 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1(O)CCC1 ZINC000905143597 592435897 /nfs/dbraw/zinc/43/58/97/592435897.db2.gz CMUXPJHOOCHMDP-GOSISDBHSA-N 2 0 334.460 1.009 20 0 EDADRP CSC1(C[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC[NH+](C)CC1 ZINC000905263231 592481500 /nfs/dbraw/zinc/48/15/00/592481500.db2.gz LREABIZXBXOGCK-HNNXBMFYSA-N 2 0 330.538 1.707 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905240903 592485061 /nfs/dbraw/zinc/48/50/61/592485061.db2.gz BHWIREOFHGCGCK-ROUUACIJSA-N 2 0 334.460 1.001 20 0 EDADRP O=S(=O)(CC1CC[NH2+]CC1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000905345633 592501027 /nfs/dbraw/zinc/50/10/27/592501027.db2.gz JNVSNJWONZAZTK-MRXNPFEDSA-N 2 0 329.510 1.027 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000905399830 592521003 /nfs/dbraw/zinc/52/10/03/592521003.db2.gz JIZHMAMLUQCMGI-LJQANCHMSA-N 2 0 344.503 1.433 20 0 EDADRP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000905436288 592534541 /nfs/dbraw/zinc/53/45/41/592534541.db2.gz WQIGLQLASMZCGE-DOTOQJQBSA-N 2 0 349.475 1.107 20 0 EDADRP C[NH+](C)CC[C@H](NC(=S)NCC1CC[NH+](C)CC1)c1cccnc1 ZINC000905660508 592599379 /nfs/dbraw/zinc/59/93/79/592599379.db2.gz JAZUUDRNOVIISD-KRWDZBQOSA-N 2 0 349.548 1.880 20 0 EDADRP Nc1nc(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc2ccccc12 ZINC000905701457 592614883 /nfs/dbraw/zinc/61/48/83/592614883.db2.gz ZYJJUAQGMYGGJQ-GASCZTMLSA-N 2 0 338.459 1.617 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000907456713 592664820 /nfs/dbraw/zinc/66/48/20/592664820.db2.gz OGJMGJSGGDQTPI-IAGOWNOFSA-N 2 0 336.524 1.536 20 0 EDADRP CC[C@@](O)(C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1)C(F)(F)F ZINC000905926284 592685399 /nfs/dbraw/zinc/68/53/99/592685399.db2.gz FQCRJRZZRYMKNK-CQSZACIVSA-N 2 0 339.402 1.080 20 0 EDADRP Cc1cccc([C@@H](O)C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000905930134 592686730 /nfs/dbraw/zinc/68/67/30/592686730.db2.gz RCJKWMBMQIGZQR-IBGZPJMESA-N 2 0 340.471 1.965 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)NCCC[NH+]2CCCCC2)cc1 ZINC000906644277 592865346 /nfs/dbraw/zinc/86/53/46/592865346.db2.gz JRRJVKGUGIHTRA-UHFFFAOYSA-N 2 0 346.475 1.811 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906644523 592865536 /nfs/dbraw/zinc/86/55/36/592865536.db2.gz DQJLBIZYMZXZLH-UHFFFAOYSA-N 2 0 332.448 1.463 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645900 592865876 /nfs/dbraw/zinc/86/58/76/592865876.db2.gz MSWXVJWZVNQFAG-QLFBSQMISA-N 2 0 346.475 1.566 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NC[C@@H]1CC[C@H]([NH3+])C1)C1CCCCC1 ZINC000911162934 592943337 /nfs/dbraw/zinc/94/33/37/592943337.db2.gz UKCUTRPVDWTUTL-CABCVRRESA-N 2 0 338.496 1.001 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@@H]([NH+](C)C)C2(C)C)CC1 ZINC000911579676 592953783 /nfs/dbraw/zinc/95/37/83/592953783.db2.gz PBANYHKHPXWWEU-DLBZAZTESA-N 2 0 338.540 1.638 20 0 EDADRP C[NH2+]C1CC(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000911747240 592996511 /nfs/dbraw/zinc/99/65/11/592996511.db2.gz XDCRXGQNORKRGH-SIWZUTFBSA-N 2 0 331.416 1.532 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C2=NO[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000911762817 592999706 /nfs/dbraw/zinc/99/97/06/592999706.db2.gz DGBSJSCAPJCQBB-QFBILLFUSA-N 2 0 344.459 1.825 20 0 EDADRP CCCN(C(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2)[C@H]1CC[NH2+]C1 ZINC000911769397 593001314 /nfs/dbraw/zinc/00/13/14/593001314.db2.gz VPCOGOYEUWCIDP-LSDHHAIUSA-N 2 0 330.432 1.113 20 0 EDADRP C[C@](C[NH3+])(NC(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F)C1CC1 ZINC000911801275 593012838 /nfs/dbraw/zinc/01/28/38/593012838.db2.gz AWLYUUKKTXNAHY-BDJLRTHQSA-N 2 0 329.366 1.607 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)/C=C/c2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000911885610 593030772 /nfs/dbraw/zinc/03/07/72/593030772.db2.gz YHPGJYKGGIXCJB-BJSLICBWSA-N 2 0 347.459 1.215 20 0 EDADRP O=C(C[C@@]1(O)CCC[NH2+]C1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000912014745 593052124 /nfs/dbraw/zinc/05/21/24/593052124.db2.gz NZUZNILDZZUNJJ-IBGZPJMESA-N 2 0 337.508 1.796 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912462840 593096763 /nfs/dbraw/zinc/09/67/63/593096763.db2.gz BMVCJKHEQKLISZ-SFHVURJKSA-N 2 0 327.472 1.858 20 0 EDADRP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]CC1CCN(S(=O)(=O)C(F)F)CC1 ZINC000841097323 593107642 /nfs/dbraw/zinc/10/76/42/593107642.db2.gz KNSXFFSXBPZHTC-YPMHNXCESA-N 2 0 339.452 1.371 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000838895862 593235808 /nfs/dbraw/zinc/23/58/08/593235808.db2.gz VGCXQSQSYXNGGA-SFHVURJKSA-N 2 0 333.476 1.520 20 0 EDADRP C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000813330449 593527407 /nfs/dbraw/zinc/52/74/07/593527407.db2.gz XZXANUYVIVYWSZ-MAUKXSAKSA-N 2 0 345.487 1.790 20 0 EDADRP COc1cc(CN2CC[NH+](C)CC2)cc(CN2CC[NH+](C)CC2)c1 ZINC000814617164 593597846 /nfs/dbraw/zinc/59/78/46/593597846.db2.gz KPCOBMLRZPCSOS-UHFFFAOYSA-N 2 0 332.492 1.190 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)C3([NH+](C)C)CCC3)CC2)CC1 ZINC000817657461 593620362 /nfs/dbraw/zinc/62/03/62/593620362.db2.gz ZLBLNXNXFKXCSA-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)CC[NH2+]CC1 ZINC000817911588 593647817 /nfs/dbraw/zinc/64/78/17/593647817.db2.gz CUJOKGRAYHSSQG-MAUKXSAKSA-N 2 0 334.460 1.805 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCCOC2=O)cc1 ZINC000817937185 593650472 /nfs/dbraw/zinc/65/04/72/593650472.db2.gz USTWTJFAJRPWCZ-MRXNPFEDSA-N 2 0 346.475 1.979 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1ccc(F)cc1Cl)CN1CC[NH+](C)CC1 ZINC000819059047 593736385 /nfs/dbraw/zinc/73/63/85/593736385.db2.gz UAYKOBLCKZNIEZ-GUYCJALGSA-N 2 0 343.874 1.986 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819315360 593750286 /nfs/dbraw/zinc/75/02/86/593750286.db2.gz DGMSWTXBJWWRPR-QGZVFWFLSA-N 2 0 348.422 1.769 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)c1cccc(F)c1-c1nn[nH]n1 ZINC000821584773 593869808 /nfs/dbraw/zinc/86/98/08/593869808.db2.gz RVJNZFRCCUBARZ-UHFFFAOYSA-N 2 0 349.458 1.716 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN1S(C)(=O)=O)c1cccc(C[NH+](C)C)c1 ZINC000820829319 593899313 /nfs/dbraw/zinc/89/93/13/593899313.db2.gz HXBZYUNGDNODNL-WMLDXEAASA-N 2 0 339.505 1.823 20 0 EDADRP COC(=O)[C@H]1[C@@H](C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1(F)F ZINC000820869554 593911206 /nfs/dbraw/zinc/91/12/06/593911206.db2.gz WZHSHCSVEQQBCV-HUUCEWRRSA-N 2 0 346.418 1.618 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821189631 593986356 /nfs/dbraw/zinc/98/63/56/593986356.db2.gz QQAKKFFCVBKTTO-QGZVFWFLSA-N 2 0 344.463 1.799 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](CN3CCOC3=O)C2)cc1 ZINC000824451088 594015176 /nfs/dbraw/zinc/01/51/76/594015176.db2.gz GYTCSBAWOPNIEM-KRWDZBQOSA-N 2 0 347.459 1.901 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000827864328 594293223 /nfs/dbraw/zinc/29/32/23/594293223.db2.gz UYSWVAUJKPJEPC-UHFFFAOYSA-N 2 0 337.508 1.916 20 0 EDADRP C[N@@H+](Cc1cnc2ccc(-c3nn[nH]n3)cn12)CC1CC[NH+](C)CC1 ZINC000826022999 594308522 /nfs/dbraw/zinc/30/85/22/594308522.db2.gz VFSWHLHPEGNOBG-UHFFFAOYSA-N 2 0 340.435 1.288 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)cc1-c1nn[nH]n1 ZINC000826038020 594313060 /nfs/dbraw/zinc/31/30/60/594313060.db2.gz GFRULXKBCLJRBN-UHFFFAOYSA-N 2 0 347.442 1.075 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCCCC[NH3+])cc2)C1 ZINC000828138608 594349477 /nfs/dbraw/zinc/34/94/77/594349477.db2.gz CGRRHWYDBKQSCL-MRXNPFEDSA-N 2 0 346.475 1.842 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)NCCCCCC[NH3+])CC1 ZINC000831264171 594594564 /nfs/dbraw/zinc/59/45/64/594594564.db2.gz WHSXFPUPTZWYJY-KRWDZBQOSA-N 2 0 339.528 1.317 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)CCc1ccc(OCC[NH+](C)C)cc1 ZINC000829449816 594615697 /nfs/dbraw/zinc/61/56/97/594615697.db2.gz HDMGLTRLOPRSGV-QGZVFWFLSA-N 2 0 333.476 1.770 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ccnc(F)c3)CC2)CC1 ZINC000831463633 594635139 /nfs/dbraw/zinc/63/51/39/594635139.db2.gz YGQKUHSGVWOPMQ-UHFFFAOYSA-N 2 0 349.498 1.759 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000841020530 594840701 /nfs/dbraw/zinc/84/07/01/594840701.db2.gz SOLWBDLSUYYLKE-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574385 594877406 /nfs/dbraw/zinc/87/74/06/594877406.db2.gz CUCDQMKLQPNXAZ-YOEHRIQHSA-N 2 0 329.460 1.162 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Nc2cccc(OCC[NH3+])c2)CC1 ZINC000841287722 594881963 /nfs/dbraw/zinc/88/19/63/594881963.db2.gz IZCDGKKFDOBYQC-UHFFFAOYSA-N 2 0 349.479 1.172 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000836283822 594947183 /nfs/dbraw/zinc/94/71/83/594947183.db2.gz OJIVTPYOHIPPQD-SJORKVTESA-N 2 0 338.496 1.415 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000841846041 594964001 /nfs/dbraw/zinc/96/40/01/594964001.db2.gz LFDZRULYMFMQOA-UHFFFAOYSA-N 2 0 326.444 1.844 20 0 EDADRP [NH3+][C@@H](CC(F)F)C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000841847194 594964364 /nfs/dbraw/zinc/96/43/64/594964364.db2.gz SMHYWJJDYXAODU-STQMWFEESA-N 2 0 341.358 1.516 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)NCC2CC[NH+](C3CC3)CC2)cc1 ZINC000841887047 594974449 /nfs/dbraw/zinc/97/44/49/594974449.db2.gz BXQMMOQTHXBHEP-UHFFFAOYSA-N 2 0 330.476 1.861 20 0 EDADRP C[C@]1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)CC[N@H+](Cc2ccccc2)C1 ZINC000841899679 594977566 /nfs/dbraw/zinc/97/75/66/594977566.db2.gz XRUNDHCDFUJPSG-WSTZPKSXSA-N 2 0 342.487 1.902 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000842007226 595000803 /nfs/dbraw/zinc/00/08/03/595000803.db2.gz WZKYHYSFUDEUHQ-MELADBBJSA-N 2 0 330.423 1.405 20 0 EDADRP C[C@@H](O)CCON=C(N)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000842027663 595005334 /nfs/dbraw/zinc/00/53/34/595005334.db2.gz GDSSMCPOLHXUDC-MRXNPFEDSA-N 2 0 334.464 1.464 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc(CCCCCC[NH3+])n2)CC1 ZINC000843222741 595042003 /nfs/dbraw/zinc/04/20/03/595042003.db2.gz UNLHHELZLRDARC-UHFFFAOYSA-N 2 0 337.468 1.226 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C(=O)NCCCCCC[NH3+] ZINC000843267126 595058022 /nfs/dbraw/zinc/05/80/22/595058022.db2.gz UYXIOCITMYPCPE-HUUCEWRRSA-N 2 0 326.485 1.001 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000843454327 595116467 /nfs/dbraw/zinc/11/64/67/595116467.db2.gz QDQVGOHJIJIOLG-QGZVFWFLSA-N 2 0 325.416 1.461 20 0 EDADRP O=C(Nc1cnn(C2CC[NH2+]CC2)c1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000843460233 595118600 /nfs/dbraw/zinc/11/86/00/595118600.db2.gz ZMSBSHMQXCVLCC-MRXNPFEDSA-N 2 0 343.435 1.181 20 0 EDADRP C[N@H+](Cc1ccc(S(=O)(=O)NC2CC2)cc1)C1CCC([NH3+])CC1 ZINC000846218004 595176662 /nfs/dbraw/zinc/17/66/62/595176662.db2.gz RMRJPBJMESXWNZ-UHFFFAOYSA-N 2 0 337.489 1.829 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000843074440 595281008 /nfs/dbraw/zinc/28/10/08/595281008.db2.gz ZTWSXGMRVPLMEG-WMLDXEAASA-N 2 0 328.403 1.825 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)CO[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000844166060 595288945 /nfs/dbraw/zinc/28/89/45/595288945.db2.gz YGXHCOCOSLQMIQ-ZWKOTPCHSA-N 2 0 333.476 1.737 20 0 EDADRP CC(C)[C@@H](CNC(=O)CO[C@@H]1CCC[NH2+]C1)[NH+]1CCC(C)CC1 ZINC000844172725 595291479 /nfs/dbraw/zinc/29/14/79/595291479.db2.gz WOADHLUOJOEVEF-IAGOWNOFSA-N 2 0 325.497 1.628 20 0 EDADRP COC1(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC[NH2+]CC1 ZINC000844183015 595294999 /nfs/dbraw/zinc/29/49/99/595294999.db2.gz SRCPWUBTLPOOTK-UHFFFAOYSA-N 2 0 335.448 1.358 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)[C@H]1CCC[NH2+]CC1 ZINC000846665125 595296021 /nfs/dbraw/zinc/29/60/21/595296021.db2.gz GAJWEYMXQNDFET-GJZGRUSLSA-N 2 0 345.443 1.924 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)CO[C@H]3CCC[NH2+]C3)cc21 ZINC000844186187 595296606 /nfs/dbraw/zinc/29/66/06/595296606.db2.gz VNHHVCBHIYFFMB-KRWDZBQOSA-N 2 0 344.459 1.910 20 0 EDADRP O=C(CC[NH2+]C1CC1)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000848394439 595373069 /nfs/dbraw/zinc/37/30/69/595373069.db2.gz LSFRUUCQFAWHTG-INIZCTEOSA-N 2 0 331.416 1.676 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000844910375 595412235 /nfs/dbraw/zinc/41/22/35/595412235.db2.gz GUPMVHLSFGDXRG-JQHSSLGASA-N 2 0 347.459 1.412 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000849064289 595476984 /nfs/dbraw/zinc/47/69/84/595476984.db2.gz MBVVMTCFCHFVJJ-QGZVFWFLSA-N 2 0 326.448 1.971 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ccc2c(c1)C(=O)NCC2 ZINC000849081844 595479509 /nfs/dbraw/zinc/47/95/09/595479509.db2.gz FDLRZESLKLENRN-OAHLLOKOSA-N 2 0 329.448 1.071 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000849093604 595480200 /nfs/dbraw/zinc/48/02/00/595480200.db2.gz BLJZMXXRRUEKNN-SJLPKXTDSA-N 2 0 346.475 1.523 20 0 EDADRP C[C@H]1CN(C(=[NH2+])NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CCO1 ZINC000849093605 595480386 /nfs/dbraw/zinc/48/03/86/595480386.db2.gz BLJZMXXRRUEKNN-WMZOPIPTSA-N 2 0 346.475 1.523 20 0 EDADRP [NH2+]=C(NCCc1ccccc1)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000849103266 595482107 /nfs/dbraw/zinc/48/21/07/595482107.db2.gz JPAOOUWOHUQUFD-UHFFFAOYSA-N 2 0 345.491 1.335 20 0 EDADRP COc1cccc(NC(=[NH2+])NCC(=O)NCC[NH+]2CCCCCC2)c1 ZINC000849103031 595482274 /nfs/dbraw/zinc/48/22/74/595482274.db2.gz BSKVYHTURMKSLM-UHFFFAOYSA-N 2 0 347.463 1.624 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000845508267 595509399 /nfs/dbraw/zinc/50/93/99/595509399.db2.gz TWNVKFPBNBJMSL-KGLIPLIRSA-N 2 0 342.484 1.042 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@H]2CCC[NH+]2C)[C@H](c2cnn(C)c2)C1 ZINC000849540944 595559051 /nfs/dbraw/zinc/55/90/51/595559051.db2.gz JWECRIAHAARKOT-SQNIBIBYSA-N 2 0 347.507 1.444 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849594035 595585473 /nfs/dbraw/zinc/58/54/73/595585473.db2.gz SFPSJUFHAGISEF-JQHSSLGASA-N 2 0 349.523 1.692 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594337 595585707 /nfs/dbraw/zinc/58/57/07/595585707.db2.gz WWOMLOLJKWFASG-UAGQMJEPSA-N 2 0 333.480 1.008 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NC2CCC([NH+](C)C)CC2)cn1 ZINC000849603182 595589961 /nfs/dbraw/zinc/58/99/61/595589961.db2.gz CUBZPFYTPMTVLD-FOIPXRHGSA-N 2 0 347.507 1.444 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879221 595595171 /nfs/dbraw/zinc/59/51/71/595595171.db2.gz SMIXBKILGKEMRN-SOLBZPMBSA-N 2 0 344.459 1.289 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852879219 595595197 /nfs/dbraw/zinc/59/51/97/595595197.db2.gz SMIXBKILGKEMRN-BQFCYCMXSA-N 2 0 344.459 1.289 20 0 EDADRP C[NH+]1CCC(NC(=S)NC[C@@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000853049521 595648892 /nfs/dbraw/zinc/64/88/92/595648892.db2.gz YZQOZATXBJWPLH-KRWDZBQOSA-N 2 0 332.517 1.819 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000850353920 595815878 /nfs/dbraw/zinc/81/58/78/595815878.db2.gz PUAMMMWVQBMHTE-JKSUJKDBSA-N 2 0 342.528 1.857 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000851661834 595872892 /nfs/dbraw/zinc/87/28/92/595872892.db2.gz PHIUUUFGMIHQDJ-SFHVURJKSA-N 2 0 346.475 1.240 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000853823837 595892335 /nfs/dbraw/zinc/89/23/35/595892335.db2.gz KXVUNENTQXJNMP-BBWFWOEESA-N 2 0 341.544 1.430 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N2CCC([NH+]3CC[C@H](O)C3)CC2)C1 ZINC000856255923 595936890 /nfs/dbraw/zinc/93/68/90/595936890.db2.gz KELWQJLAFCFXFU-YJBOKZPZSA-N 2 0 341.471 1.257 20 0 EDADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC(=O)O1 ZINC000852038426 596017325 /nfs/dbraw/zinc/01/73/25/596017325.db2.gz DARGUJSDLMDUTK-GOSISDBHSA-N 2 0 331.460 1.442 20 0 EDADRP COC(CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)OC ZINC000852039433 596018241 /nfs/dbraw/zinc/01/82/41/596018241.db2.gz FBWSFOFEWQDKNA-LJQANCHMSA-N 2 0 347.503 1.888 20 0 EDADRP CCNC(=O)CC[N@@H+]1CC[C@@H](Oc2ccnc(C[NH+](C)CC)c2)C1 ZINC000856591103 596025060 /nfs/dbraw/zinc/02/50/60/596025060.db2.gz IBCRIPNWAKKCKB-QGZVFWFLSA-N 2 0 334.464 1.513 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604882 596032505 /nfs/dbraw/zinc/03/25/05/596032505.db2.gz SVWFRURFTYCEJQ-SFHVURJKSA-N 2 0 344.463 1.736 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CCC([NH+]3CCCCC3)CC2)CCOCC1 ZINC000861604743 596045237 /nfs/dbraw/zinc/04/52/37/596045237.db2.gz PIMKMVDVZWZZIO-UHFFFAOYSA-N 2 0 338.496 1.591 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)c2cccc([C@H]3CCC[NH+](C)C3)c2)C1 ZINC000857180246 596177795 /nfs/dbraw/zinc/17/77/95/596177795.db2.gz XQKAJWZWIHZHQF-PKOBYXMFSA-N 2 0 331.460 1.292 20 0 EDADRP Cc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)c(Cl)n1 ZINC000852743671 596237134 /nfs/dbraw/zinc/23/71/34/596237134.db2.gz HMSCMJRBZIOHGB-HNNXBMFYSA-N 2 0 336.867 1.687 20 0 EDADRP C[C@H]1C[C@H]([NH2+]C2CCN(CC(=O)OC(C)(C)C)CC2)CCN1C ZINC000866527204 596242232 /nfs/dbraw/zinc/24/22/32/596242232.db2.gz WIYVWFXFNJHCQY-GOEBONIOSA-N 2 0 325.497 1.865 20 0 EDADRP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000866569809 596254492 /nfs/dbraw/zinc/25/44/92/596254492.db2.gz DXISMPMZPCHHLC-GOEBONIOSA-N 2 0 345.553 1.934 20 0 EDADRP Cc1cc(C)c(C[N@@H+]2CC[C@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c(C)n1 ZINC000866711774 596305123 /nfs/dbraw/zinc/30/51/23/596305123.db2.gz NHAMUVSSXPZRRC-UAGQMJEPSA-N 2 0 330.432 1.374 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870919804 596404874 /nfs/dbraw/zinc/40/48/74/596404874.db2.gz HZNWMFHDVVHIJE-SMDDNHRTSA-N 2 0 340.265 1.907 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CCO1 ZINC000870938099 596412769 /nfs/dbraw/zinc/41/27/69/596412769.db2.gz FOKAZCLVAGVAEC-ZWKOPEQDSA-N 2 0 342.237 1.024 20 0 EDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(F)cc2)C[C@H]1C[NH+](C)C ZINC000867591044 596449776 /nfs/dbraw/zinc/44/97/76/596449776.db2.gz YDIRAIYWYGPWKV-ZIAGYGMSSA-N 2 0 343.468 1.186 20 0 EDADRP Cc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1F ZINC000863546815 596613915 /nfs/dbraw/zinc/61/39/15/596613915.db2.gz HFGCWKIPOBGANL-SJORKVTESA-N 2 0 333.407 1.891 20 0 EDADRP CSC1(C[NH2+]Cc2cn(C[C@H]3CCCO3)nn2)CC[NH+](C)CC1 ZINC000865573147 596614951 /nfs/dbraw/zinc/61/49/51/596614951.db2.gz CLZATGLLONGGPH-OAHLLOKOSA-N 2 0 339.509 1.374 20 0 EDADRP Cc1cccc2nc(CC[NH2+]Cc3cn(C[C@H]4CCCO4)nn3)cn21 ZINC000865614699 596627429 /nfs/dbraw/zinc/62/74/29/596627429.db2.gz OREUVVQTWWPKQJ-QGZVFWFLSA-N 2 0 340.431 1.746 20 0 EDADRP COc1ccccc1C[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863642900 596641562 /nfs/dbraw/zinc/64/15/62/596641562.db2.gz ZXHVRXSVTILCQL-WBVHZDCISA-N 2 0 331.416 1.452 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000868020414 596657793 /nfs/dbraw/zinc/65/77/93/596657793.db2.gz CGEOYOHJSAXGNN-ZDUSSCGKSA-N 2 0 342.484 1.042 20 0 EDADRP CC(C)[NH+]1CCC(CC[NH2+]Cc2cn(C[C@H]3CCOC3)nn2)CC1 ZINC000865717768 596659044 /nfs/dbraw/zinc/65/90/44/596659044.db2.gz KNVXMJLQNQRKIP-QGZVFWFLSA-N 2 0 335.496 1.915 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@@H]2[C@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000868130713 596696400 /nfs/dbraw/zinc/69/64/00/596696400.db2.gz RKCRBXHOAUCAPQ-QZTJIDSGSA-N 2 0 330.476 1.854 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2[C@@H](CC[NH+]2C)C1)Cc1ccccc1 ZINC000868130714 596696434 /nfs/dbraw/zinc/69/64/34/596696434.db2.gz RKCRBXHOAUCAPQ-ROUUACIJSA-N 2 0 330.476 1.854 20 0 EDADRP O=C(CNc1cc[nH+]cc1C(F)(F)F)NCC[NH+]1CCCCCC1 ZINC000865829151 596698572 /nfs/dbraw/zinc/69/85/72/596698572.db2.gz COCNBVNZUKFZDW-UHFFFAOYSA-N 2 0 344.381 1.926 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2nc(Cl)cs2)C[C@H]1C[NH+](C)C ZINC000870019365 596710687 /nfs/dbraw/zinc/71/06/87/596710687.db2.gz WEJQNSZJRMZONP-GHMZBOCLSA-N 2 0 330.885 1.608 20 0 EDADRP CCc1nnc(C)cc1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019642 596711426 /nfs/dbraw/zinc/71/14/26/596711426.db2.gz LIBUODNIBWKDAC-HUUCEWRRSA-N 2 0 333.480 1.159 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)c(F)c2)C[C@H]1C[NH+](C)C ZINC000870021030 596712060 /nfs/dbraw/zinc/71/20/60/596712060.db2.gz YYMIUUYICCILLO-HUUCEWRRSA-N 2 0 339.430 1.705 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cccc3[nH]ncc32)C[C@H]1C[NH+](C)C ZINC000870023913 596713877 /nfs/dbraw/zinc/71/38/77/596713877.db2.gz NZKHOEVFBGDWBK-ZIAGYGMSSA-N 2 0 329.448 1.374 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)[C@H](C)C1 ZINC000868180864 596714184 /nfs/dbraw/zinc/71/41/84/596714184.db2.gz UPNDRRXMIAHBQT-UTJXIGIESA-N 2 0 332.448 1.420 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nc3ccccc3cc2CO)C[C@H]1C[NH+](C)C ZINC000866012449 596757560 /nfs/dbraw/zinc/75/75/60/596757560.db2.gz CNISVXHFGSDYJQ-QZTJIDSGSA-N 2 0 342.487 1.903 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2[C@H](CC[NH+]2C)C1)Cc1ccc(F)cc1 ZINC000868335468 596790109 /nfs/dbraw/zinc/79/01/09/596790109.db2.gz DHNLPYXFEVYPDT-AEFFLSMTSA-N 2 0 348.466 1.993 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000872274802 596864695 /nfs/dbraw/zinc/86/46/95/596864695.db2.gz COJCMEIPNILGNZ-LSDHHAIUSA-N 2 0 333.480 1.624 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872304901 596875342 /nfs/dbraw/zinc/87/53/42/596875342.db2.gz MNWKVMYQEOKCIQ-CVEARBPZSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)(c2ccccc2)CC1 ZINC000872310613 596877137 /nfs/dbraw/zinc/87/71/37/596877137.db2.gz GKDYEPBWNHYYPB-UWVAXJGDSA-N 2 0 327.472 1.894 20 0 EDADRP C[N@H+](CCCCNC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1)C1CC1 ZINC000875654391 596935211 /nfs/dbraw/zinc/93/52/11/596935211.db2.gz RAVDJAJETZVUDE-AWEZNQCLSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCOC2(C)C)C[C@H]1C[NH+](C)C ZINC000875753454 596973153 /nfs/dbraw/zinc/97/31/53/596973153.db2.gz UCRKNRNCARSXSO-BZUAXINKSA-N 2 0 340.512 1.182 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2C(=O)[C@H](C3CC3)[C@H]2C2CC2)C[C@H]1C[NH+](C)C ZINC000872636600 597003067 /nfs/dbraw/zinc/00/30/67/597003067.db2.gz QIDWMTIYJYGCHN-NCXUSEDFSA-N 2 0 348.535 1.262 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)C[NH+]2CCCC2)c2ccccc2)CC1 ZINC000874327163 597019552 /nfs/dbraw/zinc/01/95/52/597019552.db2.gz YBVUYGGQIJFJAN-SFHVURJKSA-N 2 0 330.476 1.187 20 0 EDADRP COC(=O)[C@@H]1CC(=O)N(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)C1 ZINC000872743623 597055555 /nfs/dbraw/zinc/05/55/55/597055555.db2.gz GKRAARJYVYSOBB-MRXNPFEDSA-N 2 0 339.480 1.265 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)[C@H](C)C1 ZINC000876109925 597093796 /nfs/dbraw/zinc/09/37/96/597093796.db2.gz ZZJLNZXGFVMCKV-MHAAMQRSSA-N 2 0 340.512 1.346 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1(COC)C[NH2+]CCO1)c1ccccc1 ZINC000876503329 597223857 /nfs/dbraw/zinc/22/38/57/597223857.db2.gz GZJLBPMQGCYDOP-HKUYNNGSSA-N 2 0 349.475 1.191 20 0 EDADRP COC(=O)c1cn([C@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)nn1 ZINC000873210711 597228607 /nfs/dbraw/zinc/22/86/07/597228607.db2.gz PCUXCLDVSBLWRN-LBPRGKRZSA-N 2 0 347.444 1.219 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1)C(C)(C)n1cncn1 ZINC000873242780 597237089 /nfs/dbraw/zinc/23/70/89/597237089.db2.gz DPOKRAJOENSNAK-CYBMUJFWSA-N 2 0 340.435 1.231 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000876708987 597297423 /nfs/dbraw/zinc/29/74/23/597297423.db2.gz GFGCBDAYTRALKL-SZMVWBNQSA-N 2 0 349.450 1.896 20 0 EDADRP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H](N)C[NH+](C)C)cc1 ZINC000876719277 597303256 /nfs/dbraw/zinc/30/32/56/597303256.db2.gz HHYAZUJDRQWTDC-YJBOKZPZSA-N 2 0 332.492 1.566 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)cn1 ZINC000876736119 597312794 /nfs/dbraw/zinc/31/27/94/597312794.db2.gz GVXNFXTXEIGSOR-UHFFFAOYSA-N 2 0 331.464 1.710 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000876737300 597313950 /nfs/dbraw/zinc/31/39/50/597313950.db2.gz RDEBQGXZEUKRPQ-UHFFFAOYSA-N 2 0 327.432 1.769 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H](N)C[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000876759658 597325869 /nfs/dbraw/zinc/32/58/69/597325869.db2.gz PRBJZZKFZXRNQK-NJAFHUGGSA-N 2 0 332.492 1.387 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)/C=C/[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000876765902 597330291 /nfs/dbraw/zinc/33/02/91/597330291.db2.gz WMKJDVDOPZLHGA-RHBGGLPHSA-N 2 0 337.508 1.795 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@]23CCC[C@H]2[NH2+]CC3)Cc2ccccc2C1 ZINC000876768237 597331810 /nfs/dbraw/zinc/33/18/10/597331810.db2.gz FSSWSFSNOREIGQ-XLIONFOSSA-N 2 0 327.472 1.734 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H](N)C[NH+](C)C ZINC000876776763 597336659 /nfs/dbraw/zinc/33/66/59/597336659.db2.gz QKYDUWGGSOZNMU-ROUUACIJSA-N 2 0 332.492 1.246 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)Nc2cnn(C3CC[NH2+]CC3)c2)c1 ZINC000876800583 597344119 /nfs/dbraw/zinc/34/41/19/597344119.db2.gz ODNFPOTUPDMOGR-KRWDZBQOSA-N 2 0 343.431 1.325 20 0 EDADRP O=C(c1csc(C2CC[NH2+]CC2)n1)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876841365 597355467 /nfs/dbraw/zinc/35/54/67/597355467.db2.gz QFDDOMFUOFFDML-KRWDZBQOSA-N 2 0 334.489 1.826 20 0 EDADRP C[C@H](NC(=O)[C@H](F)[C@H]1CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000876900869 597377766 /nfs/dbraw/zinc/37/77/66/597377766.db2.gz SJWWFXFWKSEPCL-LEUOFYLZSA-N 2 0 333.451 1.961 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@H]([NH3+])c1cccc(Br)c1 ZINC000877023407 597414744 /nfs/dbraw/zinc/41/47/44/597414744.db2.gz QAJQSRLABBDDCR-XQQFMLRXSA-N 2 0 326.238 1.706 20 0 EDADRP Cc1ccccc1CN1CCO[C@@H](CNC(=O)[C@@H]([NH3+])CC(C)C)C1 ZINC000877231773 597470704 /nfs/dbraw/zinc/47/07/04/597470704.db2.gz SUDIMFGIZLIFHW-ROUUACIJSA-N 2 0 333.476 1.685 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000877258488 597481878 /nfs/dbraw/zinc/48/18/78/597481878.db2.gz NXDXSBQUBAZFEQ-RDTXWAMCSA-N 2 0 348.495 1.430 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000877258112 597481928 /nfs/dbraw/zinc/48/19/28/597481928.db2.gz VVYFUFGNLGVDNB-LPHOPBHVSA-N 2 0 333.476 1.789 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2F)CC1 ZINC000877265780 597483171 /nfs/dbraw/zinc/48/31/71/597483171.db2.gz JENORHFEDBKAOB-CQSZACIVSA-N 2 0 332.423 1.954 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1C(F)(F)F ZINC000877372053 597503813 /nfs/dbraw/zinc/50/38/13/597503813.db2.gz YKMZHZXWZLAEBT-OLZOCXBDSA-N 2 0 327.350 1.078 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)c2)CC1 ZINC000877393164 597508721 /nfs/dbraw/zinc/50/87/21/597508721.db2.gz WFMADNMWUMXPRZ-UYAOXDASSA-N 2 0 342.487 1.448 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)C1(F)F ZINC000877444772 597516673 /nfs/dbraw/zinc/51/66/73/597516673.db2.gz PYFVISAVGGWWIM-NMFUWQPSSA-N 2 0 329.435 1.973 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](Cc3ccc(S(N)(=O)=O)cc3)C2)CC1 ZINC000877495377 597525365 /nfs/dbraw/zinc/52/53/65/597525365.db2.gz AQKLCLSLGJVVNB-UHFFFAOYSA-N 2 0 337.489 1.642 20 0 EDADRP CC(=O)Nc1ccc(C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000877747450 597552849 /nfs/dbraw/zinc/55/28/49/597552849.db2.gz LVVRLLFKTPNMPF-UHFFFAOYSA-N 2 0 330.476 1.857 20 0 EDADRP NC(=O)c1ccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000878155894 597582630 /nfs/dbraw/zinc/58/26/30/597582630.db2.gz SZPIDYCROMSROM-UHFFFAOYSA-N 2 0 345.487 1.905 20 0 EDADRP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C)CC2)C1 ZINC000878340763 597596837 /nfs/dbraw/zinc/59/68/37/597596837.db2.gz OJLYHVRIHKBCFV-CQSZACIVSA-N 2 0 339.480 1.108 20 0 EDADRP CCC[C@H](C)[C@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130780845 597624918 /nfs/dbraw/zinc/62/49/18/597624918.db2.gz XUZJWKRPYKYILR-LSDHHAIUSA-N 2 0 336.480 1.861 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2CCCC[C@@H]2O)CC1 ZINC000878544889 597629454 /nfs/dbraw/zinc/62/94/54/597629454.db2.gz AZGICPKHNQAZER-KSZLIROESA-N 2 0 337.508 1.602 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CC[N@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000878573628 597639365 /nfs/dbraw/zinc/63/93/65/597639365.db2.gz KXMSYTDZGLXKAI-LJQANCHMSA-N 2 0 344.503 1.056 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3ccccc3)CC2)CC1 ZINC000879591396 597648335 /nfs/dbraw/zinc/64/83/35/597648335.db2.gz NPMCCZSLCAOAMO-UHFFFAOYSA-N 2 0 330.476 1.727 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000883105326 597651931 /nfs/dbraw/zinc/65/19/31/597651931.db2.gz GJCKMQNFMCZVHF-MRXNPFEDSA-N 2 0 334.464 1.520 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883135986 597663507 /nfs/dbraw/zinc/66/35/07/597663507.db2.gz RLIMHRGIPDZJLR-JKSUJKDBSA-N 2 0 343.475 1.786 20 0 EDADRP C[C@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CC[NH2+]1 ZINC000883585968 597814498 /nfs/dbraw/zinc/81/44/98/597814498.db2.gz BSGRBVBHDAADHH-YJBOKZPZSA-N 2 0 343.475 1.797 20 0 EDADRP CC1CC[NH+](CCN2CCC(C(N)=O)([NH+]3CCCCC3)CC2)CC1 ZINC000880252420 597883422 /nfs/dbraw/zinc/88/34/22/597883422.db2.gz JCNAKVVGXKPXDF-UHFFFAOYSA-N 2 0 336.524 1.524 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NCCNc1cc(C)nc(C(C)C)n1 ZINC000883795048 597904124 /nfs/dbraw/zinc/90/41/24/597904124.db2.gz STQANAQKBWAPHL-AWEZNQCLSA-N 2 0 334.468 1.714 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000882392722 597955483 /nfs/dbraw/zinc/95/54/83/597955483.db2.gz ROCAELVROOKIAE-YJBOKZPZSA-N 2 0 328.460 1.861 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000884018441 597969109 /nfs/dbraw/zinc/96/91/09/597969109.db2.gz VJSLSVKRRCSFIF-STQMWFEESA-N 2 0 326.238 1.707 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882505811 597980896 /nfs/dbraw/zinc/98/08/96/597980896.db2.gz OASUYIWCARBVBU-QGZVFWFLSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccn(CCF)n2)C[C@H]1C[NH+](C)C ZINC000880753937 598002529 /nfs/dbraw/zinc/00/25/29/598002529.db2.gz OMHUACQQUGJXIQ-ZIAGYGMSSA-N 2 0 340.447 1.056 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000884220213 598033306 /nfs/dbraw/zinc/03/33/06/598033306.db2.gz JWBXBGRYOFKPLW-GOSISDBHSA-N 2 0 331.460 1.905 20 0 EDADRP C[C@@H](NC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C)C1=CC[N@H+](C)CC1 ZINC000884261580 598046427 /nfs/dbraw/zinc/04/64/27/598046427.db2.gz OWZZFJOBTKOMKN-JKSUJKDBSA-N 2 0 343.475 1.952 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000884316938 598063621 /nfs/dbraw/zinc/06/36/21/598063621.db2.gz HEWATAYEDQDLJP-HNNXBMFYSA-N 2 0 340.427 1.689 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000884346541 598076608 /nfs/dbraw/zinc/07/66/08/598076608.db2.gz OWFCFBZMNKZPRE-INIZCTEOSA-N 2 0 345.491 1.710 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H]2C[NH2+]CC2(C)C)cc1 ZINC000884404106 598094740 /nfs/dbraw/zinc/09/47/40/598094740.db2.gz CBAPIKYWZSDHES-KSZLIROESA-N 2 0 345.487 1.893 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000884419862 598099982 /nfs/dbraw/zinc/09/99/82/598099982.db2.gz CZNKRPQUWMUEIQ-GOSISDBHSA-N 2 0 349.475 1.468 20 0 EDADRP CN(C(=O)[C@H]([NH3+])Cc1cc2ccccc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000884452977 598109679 /nfs/dbraw/zinc/10/96/79/598109679.db2.gz BRLQFOSTZGOWSR-IAGOWNOFSA-N 2 0 327.428 1.855 20 0 EDADRP C[C@H]([NH3+])c1cn([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000881278507 598115880 /nfs/dbraw/zinc/11/58/80/598115880.db2.gz WVWFSGXOAJPYNW-DZKIICNBSA-N 2 0 342.447 1.250 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000914098127 695095227 /nfs/dbraw/zinc/09/52/27/695095227.db2.gz VLUUZOGLWMIECT-UHFFFAOYSA-N 2 0 335.452 1.059 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+]1CCCCC1 ZINC000914293768 695340834 /nfs/dbraw/zinc/34/08/34/695340834.db2.gz PXGDPFSYPHLHKD-PMPSAXMXSA-N 2 0 340.537 1.740 20 0 EDADRP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)c3cnn(CC[NH+](C)C)c3)C[C@@H]21 ZINC000992837795 695396807 /nfs/dbraw/zinc/39/68/07/695396807.db2.gz WPGPMCJENGOVOB-BPQIPLTHSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1ncc(CN2CCC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@H]2C)o1 ZINC000993758985 696352106 /nfs/dbraw/zinc/35/21/06/696352106.db2.gz JUSFWFYSJDZUKY-DYVFJYSZSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CC1CCOCC1 ZINC000993760818 696353388 /nfs/dbraw/zinc/35/33/88/696353388.db2.gz NUUNOCHGAIFFBI-MAUKXSAKSA-N 2 0 337.508 1.724 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC000994211260 696583927 /nfs/dbraw/zinc/58/39/27/696583927.db2.gz YHHAQYKGRAHSSH-YJBOKZPZSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@H]12 ZINC000916362477 696655338 /nfs/dbraw/zinc/65/53/38/696655338.db2.gz SCVAWAYIBHEGPC-RRFJBIMHSA-N 2 0 328.526 1.596 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[NH+](C)C1CC1 ZINC000916851834 696803055 /nfs/dbraw/zinc/80/30/55/696803055.db2.gz SCBRICSUEIZFRE-VHDGCEQUSA-N 2 0 326.510 1.348 20 0 EDADRP CCN1CCO[C@H](C(=O)NC2CN([C@@H]3CCCc4ccccc43)C2)C1 ZINC001031413985 697061291 /nfs/dbraw/zinc/06/12/91/697061291.db2.gz CSJAXIHODPSUFI-MOPGFXCFSA-N 2 0 343.471 1.585 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001031584355 697279894 /nfs/dbraw/zinc/27/98/94/697279894.db2.gz BZYMXLMBGHQTMQ-QZTJIDSGSA-N 2 0 331.460 1.516 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+]([C@@H]2CCc3ccc(F)cc32)C1 ZINC001031584702 697280079 /nfs/dbraw/zinc/28/00/79/697280079.db2.gz IADYQRPSNPHHAS-MSOLQXFVSA-N 2 0 331.435 1.955 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)C1 ZINC000919636730 697308587 /nfs/dbraw/zinc/30/85/87/697308587.db2.gz YRPGVKAELRXCHG-IAGOWNOFSA-N 2 0 349.479 1.094 20 0 EDADRP CCOC1CC(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)C1 ZINC001031684135 697515298 /nfs/dbraw/zinc/51/52/98/697515298.db2.gz IKYQLWLDJIGMHS-DQVOVIAYSA-N 2 0 337.508 1.580 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)c2cc([C@@H]3CCCN3C)n[nH]2)C1)OC ZINC001031685961 697516012 /nfs/dbraw/zinc/51/60/12/697516012.db2.gz HPXXOQRHEFUEEK-YOEHRIQHSA-N 2 0 349.479 1.263 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCc3ccns3)C2)CC[N@@H+]1C ZINC001031686057 697516123 /nfs/dbraw/zinc/51/61/23/697516123.db2.gz IQQNPZXYPFDZJA-JKSUJKDBSA-N 2 0 336.505 1.464 20 0 EDADRP O=C(NCC1C[NH+](CC2CC3(CCC3)C2)C1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688476 697523574 /nfs/dbraw/zinc/52/35/74/697523574.db2.gz GEGOSCMIGGDVTC-QZTJIDSGSA-N 2 0 347.503 1.478 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12)C(C)(C)C[NH+](C)C ZINC000921387876 697587501 /nfs/dbraw/zinc/58/75/01/697587501.db2.gz TXYDLLKQZPIIJA-RRFJBIMHSA-N 2 0 342.553 1.842 20 0 EDADRP CC[C@@H](C[NH+]1CC(CNC(=O)c2sccc2C[NH+](C)C)C1)OC ZINC001031707221 697700506 /nfs/dbraw/zinc/70/05/06/697700506.db2.gz UEJRBKFWOIKKDH-HNNXBMFYSA-N 2 0 339.505 1.896 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2ccc(OC)nc2)C1 ZINC001031710999 697715556 /nfs/dbraw/zinc/71/55/56/697715556.db2.gz BMFXVIIXBGJEJJ-KRWDZBQOSA-N 2 0 346.475 1.513 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031713530 697733288 /nfs/dbraw/zinc/73/32/88/697733288.db2.gz BHLRQCZQCAVWQR-INIZCTEOSA-N 2 0 336.505 1.608 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CCCc2nc(C)no2)C1 ZINC001031715540 697737100 /nfs/dbraw/zinc/73/71/00/697737100.db2.gz VBWDTGKIQUDSDF-INIZCTEOSA-N 2 0 349.479 1.233 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943334174 698150940 /nfs/dbraw/zinc/15/09/40/698150940.db2.gz LZXDWJNQDSLCFZ-YJBOKZPZSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)n2)CC1 ZINC000940110483 700224291 /nfs/dbraw/zinc/22/42/91/700224291.db2.gz ZPCIHNGJKBHCJF-MRXNPFEDSA-N 2 0 348.495 1.159 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@@H]1CCCC[NH2+]1 ZINC000238049559 698659042 /nfs/dbraw/zinc/65/90/42/698659042.db2.gz HZFZBHNKAZRJLE-HOTGVXAUSA-N 2 0 331.416 1.676 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC000940117473 700249964 /nfs/dbraw/zinc/24/99/64/700249964.db2.gz SUBJECPXKPGMOO-NVXWUHKLSA-N 2 0 347.507 1.714 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941502597 701561726 /nfs/dbraw/zinc/56/17/26/701561726.db2.gz SRWAOKKSIXJANB-LJQANCHMSA-N 2 0 346.519 1.099 20 0 EDADRP CC(C)(C(=O)N1CCN(C2C[NH+](CCCF)C2)CC1)[NH+]1CCCC1 ZINC000941512534 701565862 /nfs/dbraw/zinc/56/58/62/701565862.db2.gz MPTLXAPDKJHMLO-UHFFFAOYSA-N 2 0 340.487 1.049 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001031774467 699145745 /nfs/dbraw/zinc/14/57/45/699145745.db2.gz YYALHOSPNAXDQW-IBGZPJMESA-N 2 0 344.503 1.785 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCc3nccn3C2)C1)C1CCC1 ZINC001031783214 699209010 /nfs/dbraw/zinc/20/90/10/699209010.db2.gz UQEGWFVHPKLVDO-SJORKVTESA-N 2 0 346.475 1.309 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939136630 699223096 /nfs/dbraw/zinc/22/30/96/699223096.db2.gz ALVCDPCFGMKZNI-DOTOQJQBSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939129554 699226831 /nfs/dbraw/zinc/22/68/31/699226831.db2.gz XTRFNCBSUMYVQE-YOEHRIQHSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939256124 699448500 /nfs/dbraw/zinc/44/85/00/699448500.db2.gz AUNQASPHGIDFEE-KDOFPFPSSA-N 2 0 348.466 1.889 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]CC1CCOCC1 ZINC000939549759 699683118 /nfs/dbraw/zinc/68/31/18/699683118.db2.gz CLZBAHOATZUHCY-WMLDXEAASA-N 2 0 346.475 1.624 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(Cl)n1 ZINC000939543657 699684995 /nfs/dbraw/zinc/68/49/95/699684995.db2.gz FQIMOBWCPGWHKU-UKRRQHHQSA-N 2 0 348.878 1.767 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939545919 699687964 /nfs/dbraw/zinc/68/79/64/699687964.db2.gz PQGQPYVQNYXODY-XJKSGUPXSA-N 2 0 349.425 1.997 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@@H]2C)sn1 ZINC000939552266 699701949 /nfs/dbraw/zinc/70/19/49/699701949.db2.gz WRDUIRBMBIICSQ-WFASDCNBSA-N 2 0 334.489 1.484 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1C ZINC000939552254 699702006 /nfs/dbraw/zinc/70/20/06/699702006.db2.gz WIWJWFWBGPMJDJ-WBMJQRKESA-N 2 0 343.431 1.694 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939627247 699764982 /nfs/dbraw/zinc/76/49/82/699764982.db2.gz RAFZTGFHIUZUJW-FZKQIMNGSA-N 2 0 342.443 1.390 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cnc(Cl)s1 ZINC000939755908 699922412 /nfs/dbraw/zinc/92/24/12/699922412.db2.gz RRBVKDWZTOTRHO-YPMHNXCESA-N 2 0 342.896 1.829 20 0 EDADRP CC1(C)CO[C@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)C1 ZINC001031849789 699933165 /nfs/dbraw/zinc/93/31/65/699933165.db2.gz AGUFXDOUWDTRFJ-KRWDZBQOSA-N 2 0 342.443 1.811 20 0 EDADRP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1nccn1C ZINC000939809757 699958183 /nfs/dbraw/zinc/95/81/83/699958183.db2.gz JFYBMOIGWFOUNC-HOTGVXAUSA-N 2 0 333.480 1.233 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000940150251 700260925 /nfs/dbraw/zinc/26/09/25/700260925.db2.gz SWDKDOXERMYDAU-UHFFFAOYSA-N 2 0 333.480 1.375 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]C[C@H]3CCCOC3)CC2)CCC1 ZINC000940148876 700281762 /nfs/dbraw/zinc/28/17/62/700281762.db2.gz DWXOQHUSQKVDJZ-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP CC1([NH2+]Cc2ccon2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000940200301 700358869 /nfs/dbraw/zinc/35/88/69/700358869.db2.gz JZVHAWMFMJPFJV-UHFFFAOYSA-N 2 0 332.448 1.774 20 0 EDADRP CC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219405 700381168 /nfs/dbraw/zinc/38/11/68/700381168.db2.gz KDKJRIFNQLIPKO-OHTSDLOESA-N 2 0 347.503 1.620 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940328085 700505787 /nfs/dbraw/zinc/50/57/87/700505787.db2.gz FKTVURQIBLDYPK-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940426277 700620222 /nfs/dbraw/zinc/62/02/22/700620222.db2.gz MWMYNLDAUUHCJM-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP CC1([NH2+]Cc2cncs2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427568 700621488 /nfs/dbraw/zinc/62/14/88/700621488.db2.gz KJXQBFAKBQARCF-UHFFFAOYSA-N 2 0 334.489 1.710 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940472167 700657508 /nfs/dbraw/zinc/65/75/08/700657508.db2.gz LXNRYKWDODTTBM-HOTGVXAUSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000940461763 700664850 /nfs/dbraw/zinc/66/48/50/700664850.db2.gz JPYZDKNTFWFZPL-UHFFFAOYSA-N 2 0 331.464 1.352 20 0 EDADRP CC(C)c1noc(CNC2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940461881 700665194 /nfs/dbraw/zinc/66/51/94/700665194.db2.gz PQQUNWUBKPESQX-CQSZACIVSA-N 2 0 349.479 1.615 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CC2CCOCC2)CC1(C)C ZINC000940618164 700799886 /nfs/dbraw/zinc/79/98/86/700799886.db2.gz PIKIBERVJCJUGW-DLBZAZTESA-N 2 0 337.508 1.724 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCOCC2)C(C)(C)C1 ZINC000940795680 700914633 /nfs/dbraw/zinc/91/46/33/700914633.db2.gz QQCUITWGCLMQPS-SJORKVTESA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCn2cccn2)CC1(C)C ZINC000940843207 700939292 /nfs/dbraw/zinc/93/92/92/700939292.db2.gz ZEVVHTNAPHFKND-SJORKVTESA-N 2 0 347.507 1.584 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ncccn3)C2)C1 ZINC000995110442 700998482 /nfs/dbraw/zinc/99/84/82/700998482.db2.gz YSXBLZRZOZUZAG-CVEARBPZSA-N 2 0 345.491 1.583 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N[C@H]2CC[N@@H+](C(C)C)CC2(C)C)C1 ZINC000940973438 701015575 /nfs/dbraw/zinc/01/55/75/701015575.db2.gz VDZKQBKJJTYTGM-CVEARBPZSA-N 2 0 325.497 1.721 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CC3CCC3)C2)cn1 ZINC000995113793 701017300 /nfs/dbraw/zinc/01/73/00/701017300.db2.gz OMSPXGLFNAOAAY-AEFFLSMTSA-N 2 0 347.507 1.733 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C(C)C)CCO3)C2)cc1 ZINC001031919573 701048670 /nfs/dbraw/zinc/04/86/70/701048670.db2.gz DPNWELBCTMKWKW-LJQANCHMSA-N 2 0 345.487 1.652 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000995116634 701064200 /nfs/dbraw/zinc/06/42/00/701064200.db2.gz XRZXMVLSFLVRER-HOTGVXAUSA-N 2 0 349.479 1.484 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941080282 701142629 /nfs/dbraw/zinc/14/26/29/701142629.db2.gz WBHGCGHOVLLGCW-GDBMZVCRSA-N 2 0 325.497 1.316 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999169190 706597611 /nfs/dbraw/zinc/59/76/11/706597611.db2.gz JCVPYGLEJVUGRB-ROUUACIJSA-N 2 0 345.491 1.151 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccn(C)n3)C2)CC1 ZINC000995132170 701417507 /nfs/dbraw/zinc/41/75/07/701417507.db2.gz IAVNHPAPTZKQER-SJORKVTESA-N 2 0 347.507 1.527 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC001031948505 701517022 /nfs/dbraw/zinc/51/70/22/701517022.db2.gz DSLYAGITDADQSL-IBGZPJMESA-N 2 0 345.487 1.764 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)c(C)c1 ZINC001032129932 701830597 /nfs/dbraw/zinc/83/05/97/701830597.db2.gz BGGGJLXWXNUOKZ-UHFFFAOYSA-N 2 0 327.472 1.947 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccccc2F)C1)C12CC[NH+](CC1)C2 ZINC001032130294 701840903 /nfs/dbraw/zinc/84/09/03/701840903.db2.gz JQLIWYXXGXUZPQ-UHFFFAOYSA-N 2 0 331.435 1.512 20 0 EDADRP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cc1 ZINC001031980591 702139333 /nfs/dbraw/zinc/13/93/33/702139333.db2.gz WERAXJFASQJAJP-LPHOPBHVSA-N 2 0 329.488 1.783 20 0 EDADRP Cc1ccc(CCC[NH+]2CC(CNC(=O)[C@@H]3CC[N@@H+](C)C3)C2)cc1 ZINC001032182203 702189043 /nfs/dbraw/zinc/18/90/43/702189043.db2.gz GTPBLOAHHSXTAT-LJQANCHMSA-N 2 0 329.488 1.927 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895778 702199462 /nfs/dbraw/zinc/19/94/62/702199462.db2.gz MKHSKFMBXYPUFQ-HOTGVXAUSA-N 2 0 333.480 1.087 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]C[C@H]2CCCOC2)C(C)(C)C1)C1CCC1 ZINC000995918637 702237944 /nfs/dbraw/zinc/23/79/44/702237944.db2.gz OKPMXCKPRDSMIF-NVXWUHKLSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)C1CCC1 ZINC000995919465 702239841 /nfs/dbraw/zinc/23/98/41/702239841.db2.gz RFQPVNDHDAMSAC-QGZVFWFLSA-N 2 0 330.476 1.893 20 0 EDADRP Cn1nccc1C[NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C ZINC000995916087 702276559 /nfs/dbraw/zinc/27/65/59/702276559.db2.gz IFYUWQOSHSZDSD-MRXNPFEDSA-N 2 0 333.480 1.231 20 0 EDADRP CCCOc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186043 702313941 /nfs/dbraw/zinc/31/39/41/702313941.db2.gz GUHJAFQXGVICLO-GOSISDBHSA-N 2 0 345.487 1.975 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)CC[N@@H+]1C ZINC000999208178 706661697 /nfs/dbraw/zinc/66/16/97/706661697.db2.gz MCZIRYIXNMKTNX-BHYGNILZSA-N 2 0 333.480 1.231 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC1CCOCC1 ZINC000995993673 702371576 /nfs/dbraw/zinc/37/15/76/702371576.db2.gz CGXLXBPQRDAPAF-QGZVFWFLSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944170459 702414129 /nfs/dbraw/zinc/41/41/29/702414129.db2.gz UDTFXTZDYDCWAK-ZFWWWQNUSA-N 2 0 332.448 1.405 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944154123 702443880 /nfs/dbraw/zinc/44/38/80/702443880.db2.gz KCQMKXMEMDPZQP-DOTOQJQBSA-N 2 0 328.460 1.504 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC1(C)C ZINC000996223828 702633593 /nfs/dbraw/zinc/63/35/93/702633593.db2.gz SZXHAZUDOFJFCL-MRXNPFEDSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC000996245404 702648853 /nfs/dbraw/zinc/64/88/53/702648853.db2.gz ISIUEXQCWSYYNE-HZPDHXFCSA-N 2 0 336.480 1.896 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)C1 ZINC000996293006 702685471 /nfs/dbraw/zinc/68/54/71/702685471.db2.gz AEFCBTRPPDQPIA-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccccn2)C(C)(C)C1 ZINC000996301190 702693111 /nfs/dbraw/zinc/69/31/11/702693111.db2.gz RLXKVAGTUWCMGM-RDJZCZTQSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995213546 702711826 /nfs/dbraw/zinc/71/18/26/702711826.db2.gz QKNPXDIUAJVDCB-IAGOWNOFSA-N 2 0 330.476 1.860 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC000996499245 702838205 /nfs/dbraw/zinc/83/82/05/702838205.db2.gz BPEREWXANSIQRJ-RHSMWYFYSA-N 2 0 337.508 1.316 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996517886 702853423 /nfs/dbraw/zinc/85/34/23/702853423.db2.gz BKBWNIDGSQTKEJ-HNNXBMFYSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996518233 702853824 /nfs/dbraw/zinc/85/38/24/702853824.db2.gz INVWPJGBFSYSRF-WBVHZDCISA-N 2 0 348.491 1.960 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2(C)C)nn1C ZINC000996519015 702854505 /nfs/dbraw/zinc/85/45/05/702854505.db2.gz MGGIHZOTKRJKBK-NVXWUHKLSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996563013 702876901 /nfs/dbraw/zinc/87/69/01/702876901.db2.gz ZIQYXFUENVPXFT-QGZVFWFLSA-N 2 0 332.448 1.405 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)n1 ZINC000996607530 702910738 /nfs/dbraw/zinc/91/07/38/702910738.db2.gz CJEGAWRGSOQJKL-GDBMZVCRSA-N 2 0 346.475 1.369 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996607606 702911019 /nfs/dbraw/zinc/91/10/19/702911019.db2.gz CZFKPJTWDMYLHJ-CJNGLKHVSA-N 2 0 334.464 1.515 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1(C)C ZINC000996607652 702911274 /nfs/dbraw/zinc/91/12/74/702911274.db2.gz DJVOSJSCSMNKBK-DLBZAZTESA-N 2 0 330.476 1.668 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000996602995 702912633 /nfs/dbraw/zinc/91/26/33/702912633.db2.gz JRULZONVFPBHNN-DLBZAZTESA-N 2 0 333.480 1.231 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]Cc2ccsc2)CC1 ZINC000996617446 702924555 /nfs/dbraw/zinc/92/45/55/702924555.db2.gz AWFCSCQLYMXXGB-IAGOWNOFSA-N 2 0 349.500 1.692 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)o1 ZINC000996618247 702924871 /nfs/dbraw/zinc/92/48/71/702924871.db2.gz WWIMILIWFIOTQX-HOCLYGCPSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000996681213 702979868 /nfs/dbraw/zinc/97/98/68/702979868.db2.gz XZUZDLFJTLYMNN-KRWDZBQOSA-N 2 0 334.464 1.712 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996698072 702996505 /nfs/dbraw/zinc/99/65/05/702996505.db2.gz SQNOQNGWIQZDES-KRWDZBQOSA-N 2 0 335.496 1.570 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc(C3CC3)no2)CC1)[NH+](C)C ZINC000996713309 703008102 /nfs/dbraw/zinc/00/81/02/703008102.db2.gz TUEWTYQXOHHZQE-QGZVFWFLSA-N 2 0 334.464 1.973 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000996725087 703019758 /nfs/dbraw/zinc/01/97/58/703019758.db2.gz RGJXHUSKRYONPK-IUODEOHRSA-N 2 0 334.468 1.239 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996729507 703026387 /nfs/dbraw/zinc/02/63/87/703026387.db2.gz OZSCDAUSYQOMMT-SFHVURJKSA-N 2 0 330.476 1.955 20 0 EDADRP O=C([C@H]1CCc2cncn2C1)N1CCC([NH2+]Cc2ccon2)CC1 ZINC000996760145 703048508 /nfs/dbraw/zinc/04/85/08/703048508.db2.gz SQJWVROSOFVTMN-ZDUSSCGKSA-N 2 0 329.404 1.214 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3nonc3C)CC2)C1 ZINC000996906067 703185220 /nfs/dbraw/zinc/18/52/20/703185220.db2.gz XDAGGWSIHXIBHO-HNNXBMFYSA-N 2 0 349.479 1.581 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1ncccn1 ZINC000996951582 703222332 /nfs/dbraw/zinc/22/23/32/703222332.db2.gz HBZCCSWVDDOXRD-CQSZACIVSA-N 2 0 331.464 1.460 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000996964343 703232320 /nfs/dbraw/zinc/23/23/20/703232320.db2.gz JJMGSLZLZXKOQT-QGZVFWFLSA-N 2 0 333.480 1.452 20 0 EDADRP C[C@@H]1C[N@H+](CCO)CC[C@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942721046 703235548 /nfs/dbraw/zinc/23/55/48/703235548.db2.gz KUHNPQNSBFMVKF-CRAIPNDOSA-N 2 0 333.476 1.223 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000997006365 703263568 /nfs/dbraw/zinc/26/35/68/703263568.db2.gz LMFSYLJANGNUGC-HNNXBMFYSA-N 2 0 333.480 1.325 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997013205 703273027 /nfs/dbraw/zinc/27/30/27/703273027.db2.gz ZDHRGQNYGLMJRY-DYVFJYSZSA-N 2 0 334.439 1.499 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]C[C@H]3CCCCO3)CC2)CC1 ZINC000997057105 703302889 /nfs/dbraw/zinc/30/28/89/703302889.db2.gz IVKKVWSOQXJPFL-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3cncs3)CC2)CC1 ZINC000997116044 703370551 /nfs/dbraw/zinc/37/05/51/703370551.db2.gz SHAREUHVBSRDHA-UHFFFAOYSA-N 2 0 336.505 1.956 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CC1 ZINC000997139069 703400299 /nfs/dbraw/zinc/40/02/99/703400299.db2.gz KVMALMUKNRHTSK-UHFFFAOYSA-N 2 0 347.507 1.621 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)cc1 ZINC001032054836 703423931 /nfs/dbraw/zinc/42/39/31/703423931.db2.gz FSUXWTHIQYGFDU-KRWDZBQOSA-N 2 0 345.487 1.836 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997181982 703466960 /nfs/dbraw/zinc/46/69/60/703466960.db2.gz FJNQQZIEUTZNGF-OCCSQVGLSA-N 2 0 334.468 1.097 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997184165 703469758 /nfs/dbraw/zinc/46/97/58/703469758.db2.gz NJHQEWNUGWJLIU-KRWDZBQOSA-N 2 0 347.507 1.422 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)s1 ZINC000997299479 703556833 /nfs/dbraw/zinc/55/68/33/703556833.db2.gz NXCZRJRNSOADGY-AAEUAGOBSA-N 2 0 337.493 1.440 20 0 EDADRP CCc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cs1 ZINC000997299915 703557099 /nfs/dbraw/zinc/55/70/99/703557099.db2.gz RIPVEEUCDLXDPN-CYBMUJFWSA-N 2 0 336.505 1.738 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000997359265 703589820 /nfs/dbraw/zinc/58/98/20/703589820.db2.gz HJPURBCNCJRCDO-OKILXGFUSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)no1 ZINC000997361101 703598386 /nfs/dbraw/zinc/59/83/86/703598386.db2.gz SLEHCESDAOTDCW-OKILXGFUSA-N 2 0 334.464 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cnc(C)o2)CC1 ZINC000997367146 703601427 /nfs/dbraw/zinc/60/14/27/703601427.db2.gz VPNBSQXWJLWTGD-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997368901 703609215 /nfs/dbraw/zinc/60/92/15/703609215.db2.gz WXANPDHIDDSGDB-UHFFFAOYSA-N 2 0 333.480 1.340 20 0 EDADRP Cc1cnc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997423628 703671547 /nfs/dbraw/zinc/67/15/47/703671547.db2.gz GPYVZNDGTYYRLK-WBVHZDCISA-N 2 0 345.491 1.453 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997514465 703764678 /nfs/dbraw/zinc/76/46/78/703764678.db2.gz FWBWWKWTIQKJHB-GUYCJALGSA-N 2 0 334.464 1.794 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCOCC1 ZINC001032493546 703778926 /nfs/dbraw/zinc/77/89/26/703778926.db2.gz YJWWYJDYJUECGL-GBESFXJTSA-N 2 0 349.519 1.819 20 0 EDADRP CC(C)CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001032530243 704034950 /nfs/dbraw/zinc/03/49/50/704034950.db2.gz IISRQMQGXVGLDR-JBWWOZQKSA-N 2 0 333.476 1.181 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2cn(C[C@@H]3CCOC3)nn2)CC1 ZINC000922845609 704421234 /nfs/dbraw/zinc/42/12/34/704421234.db2.gz FHNJCABDBNXYLN-HJOIGYKYSA-N 2 0 333.480 1.811 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000922844827 704428777 /nfs/dbraw/zinc/42/87/77/704428777.db2.gz HUTCYLYWNOLTST-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1CC[NH+](C)C ZINC001032538241 704587621 /nfs/dbraw/zinc/58/76/21/704587621.db2.gz OCAPVUPGUYDPCG-NJAFHUGGSA-N 2 0 345.487 1.724 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)co1 ZINC000997785776 704690005 /nfs/dbraw/zinc/69/00/05/704690005.db2.gz XGTMKXZXBYVZSA-GOSISDBHSA-N 2 0 346.475 1.653 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997821636 704741492 /nfs/dbraw/zinc/74/14/92/704741492.db2.gz NTFSMIVGBGVYJV-QGZVFWFLSA-N 2 0 348.495 1.018 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cnc(C)cn2)CC1)[NH+](C)C ZINC000997854253 704766396 /nfs/dbraw/zinc/76/63/96/704766396.db2.gz AQBDEEYXXGYJJH-QGZVFWFLSA-N 2 0 333.480 1.453 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccccn2)CC1 ZINC000997863693 704770951 /nfs/dbraw/zinc/77/09/51/704770951.db2.gz FEPFRZGCDQKCFF-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997861121 704771776 /nfs/dbraw/zinc/77/17/76/704771776.db2.gz IGEKMKLXCOGSCT-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nccs2)CC1 ZINC000997866989 704772160 /nfs/dbraw/zinc/77/21/60/704772160.db2.gz YAZTXZGHCMXQGK-HNNXBMFYSA-N 2 0 336.505 1.956 20 0 EDADRP Cc1ccncc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943655 704796429 /nfs/dbraw/zinc/79/64/29/704796429.db2.gz JHQLVCXROLNYHE-WMZOPIPTSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nccn1CC(=O)N[C@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965642 704836635 /nfs/dbraw/zinc/83/66/35/704836635.db2.gz TVUHJLUVJRANGX-YPMHNXCESA-N 2 0 332.370 1.971 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC000997955960 705085409 /nfs/dbraw/zinc/08/54/09/705085409.db2.gz KEYFYUJUASXWJB-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cscn2)CC1 ZINC000998078243 705298795 /nfs/dbraw/zinc/29/87/95/705298795.db2.gz KHYPLIJKCMHGIA-CJNGLKHVSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000998081638 705303152 /nfs/dbraw/zinc/30/31/52/705303152.db2.gz KXOVAYVNJAYXNC-OAHLLOKOSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000998080464 705305369 /nfs/dbraw/zinc/30/53/69/705305369.db2.gz ALUYWZNZUQDAEK-KGLIPLIRSA-N 2 0 349.479 1.752 20 0 EDADRP Cc1noc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)n1 ZINC000998082641 705310344 /nfs/dbraw/zinc/31/03/44/705310344.db2.gz RUWDLZOSZYDZSY-UONOGXRCSA-N 2 0 349.479 1.609 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3nccs3)CC2)C1 ZINC000998083090 705311705 /nfs/dbraw/zinc/31/17/05/705311705.db2.gz UQTDKWVIVGGBDA-CQSZACIVSA-N 2 0 336.505 1.813 20 0 EDADRP CCN(C(=O)[C@@H]1C[C@H]1c1cncn1C)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998126746 705384495 /nfs/dbraw/zinc/38/44/95/705384495.db2.gz PYMYOUMTAQIMDC-BZUAXINKSA-N 2 0 334.464 1.219 20 0 EDADRP Cc1nsc(C)c1CN1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C)CC1 ZINC001032602742 705409167 /nfs/dbraw/zinc/40/91/67/705409167.db2.gz YWZYIPXIZQTUQI-HOTGVXAUSA-N 2 0 348.516 1.887 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC(F)(F)C2)CC1 ZINC001032603114 705413397 /nfs/dbraw/zinc/41/33/97/705413397.db2.gz PNEOVTQFWQOTPF-GJZGRUSLSA-N 2 0 327.419 1.659 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998218310 705541091 /nfs/dbraw/zinc/54/10/91/705541091.db2.gz ZUNYPIJQRCMBDP-MRXNPFEDSA-N 2 0 333.480 1.090 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCc2cccs2)C1 ZINC001032627818 705741972 /nfs/dbraw/zinc/74/19/72/705741972.db2.gz JFVGWKIEXNTRTC-JYJNAYRXSA-N 2 0 333.501 1.918 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000998548948 705984983 /nfs/dbraw/zinc/98/49/83/705984983.db2.gz JITGRNLUGJFODO-BPCQOVAHSA-N 2 0 339.871 1.247 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998721573 706157346 /nfs/dbraw/zinc/15/73/46/706157346.db2.gz MWCHDAVJRSYFRP-DGCLKSJQSA-N 2 0 342.896 1.971 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC000998728038 706158144 /nfs/dbraw/zinc/15/81/44/706158144.db2.gz BCMIWDMASAWNTE-MJGOQNOKSA-N 2 0 345.487 1.913 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2nc(C3CCC3)no2)C1 ZINC000998730185 706162114 /nfs/dbraw/zinc/16/21/14/706162114.db2.gz JEUIARZIPFZYDK-LSDHHAIUSA-N 2 0 347.463 1.512 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)C1 ZINC000998898482 706326288 /nfs/dbraw/zinc/32/62/88/706326288.db2.gz LWVHDVRPQWVUGM-KLAILNCOSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)cn1 ZINC000998993978 706411477 /nfs/dbraw/zinc/41/14/77/706411477.db2.gz IGRBNUKXDAZQOK-BDVYOWHSSA-N 2 0 331.464 1.348 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000999344706 706856361 /nfs/dbraw/zinc/85/63/61/706856361.db2.gz SWZKRQQRAFELFN-UHFFFAOYSA-N 2 0 334.464 1.712 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)cn1 ZINC000999346307 706858205 /nfs/dbraw/zinc/85/82/05/706858205.db2.gz CZGLOXOXOGBWCV-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CC1 ZINC000999376511 706870809 /nfs/dbraw/zinc/87/08/09/706870809.db2.gz WGSWNOGHTAKNOS-HOCLYGCPSA-N 2 0 336.505 1.606 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C[N@@H+](C)C3CCC3)C2)cn1 ZINC000999372609 706887401 /nfs/dbraw/zinc/88/74/01/706887401.db2.gz CVIHXBXQVNSRLN-MRXNPFEDSA-N 2 0 331.464 1.350 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999399520 706894131 /nfs/dbraw/zinc/89/41/31/706894131.db2.gz HVUAGAAFVOBBRY-HOTGVXAUSA-N 2 0 333.480 1.375 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000999403683 706912722 /nfs/dbraw/zinc/91/27/22/706912722.db2.gz XRRUFSMSOXIOTF-HOTGVXAUSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CCC[C@@H]3C)C2)c1 ZINC000999405735 706914637 /nfs/dbraw/zinc/91/46/37/706914637.db2.gz GXJRJDOMDZJMQL-ZLPCBKJTSA-N 2 0 330.476 1.953 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC[C@H]2C)C1 ZINC000999405802 706915128 /nfs/dbraw/zinc/91/51/28/706915128.db2.gz JBZUNUIRAPKLPL-IUDNXUCKSA-N 2 0 348.495 1.170 20 0 EDADRP Cc1nccnc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999406847 706916124 /nfs/dbraw/zinc/91/61/24/706916124.db2.gz SNRINFJFRSVWMU-JEYLPNPQSA-N 2 0 331.464 1.348 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)ncn1 ZINC000999433160 706940999 /nfs/dbraw/zinc/94/09/99/706940999.db2.gz KEOAVWDWVFIRPB-RDJZCZTQSA-N 2 0 333.480 1.452 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999506855 707004377 /nfs/dbraw/zinc/00/43/77/707004377.db2.gz CBXHGNILFNDXDD-HOTGVXAUSA-N 2 0 333.480 1.468 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)on1 ZINC000999511859 707010552 /nfs/dbraw/zinc/01/05/52/707010552.db2.gz MYCBIBLIQBHFSZ-DZGCQCFKSA-N 2 0 336.436 1.248 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000999488995 707025044 /nfs/dbraw/zinc/02/50/44/707025044.db2.gz IERBPHIMPUGKKW-INIZCTEOSA-N 2 0 345.491 1.377 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999573386 707079664 /nfs/dbraw/zinc/07/96/64/707079664.db2.gz IOBFPVVHALHUIR-SJLPKXTDSA-N 2 0 347.507 1.621 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@H]([NH2+]CCn2cccn2)C1 ZINC000999608570 707122427 /nfs/dbraw/zinc/12/24/27/707122427.db2.gz ILLXKFVERMKSIG-INIZCTEOSA-N 2 0 338.415 1.425 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]Cc3ccnn3C)C2)CC1 ZINC000999630232 707155323 /nfs/dbraw/zinc/15/53/23/707155323.db2.gz VYNMUWSHSHDQDO-UHFFFAOYSA-N 2 0 347.507 1.620 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](Cc4ccon4)C[C@H]3CC2)C1 ZINC000946779173 707238219 /nfs/dbraw/zinc/23/82/19/707238219.db2.gz IVIXSHPQGIVNNF-YESZJQIVSA-N 2 0 346.475 1.687 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccn(-c3cc[nH+]cc3)n2)C1 ZINC001033254743 707243535 /nfs/dbraw/zinc/24/35/35/707243535.db2.gz GEQORALOPDFYRF-OAHLLOKOSA-N 2 0 329.404 1.060 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3C[NH+](C[C@H]4CCOC4)C[C@H]3CC2)C1 ZINC000946779579 707244817 /nfs/dbraw/zinc/24/48/17/707244817.db2.gz PLDPYZSPMCEPOH-ZSYWTGECSA-N 2 0 349.519 1.535 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3nc(C)no3)C[C@H]2CC1)[NH+](C)C ZINC000946784517 707310955 /nfs/dbraw/zinc/31/09/55/707310955.db2.gz MITWGHOBOBKNTN-XHSDSOJGSA-N 2 0 349.479 1.389 20 0 EDADRP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999760191 707312686 /nfs/dbraw/zinc/31/26/86/707312686.db2.gz PPIZTKUSVXQJHW-TVPLGVNVSA-N 2 0 345.491 1.028 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999792672 707363797 /nfs/dbraw/zinc/36/37/97/707363797.db2.gz OEWBSRXXZKXGBB-RDJZCZTQSA-N 2 0 333.476 1.366 20 0 EDADRP CCCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)o1 ZINC000999838289 707409789 /nfs/dbraw/zinc/40/97/89/707409789.db2.gz VTKCIBVRJBOZOY-QQFBHYJXSA-N 2 0 348.491 1.966 20 0 EDADRP COc1ccc(CC[NH2+]C2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC000999828854 707456972 /nfs/dbraw/zinc/45/69/72/707456972.db2.gz GPARPOJRFKCYFP-AOCRQIFASA-N 2 0 345.487 1.768 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033320761 707517111 /nfs/dbraw/zinc/51/71/11/707517111.db2.gz WQIAAYDPXYLWSK-INIZCTEOSA-N 2 0 333.480 1.290 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)C1 ZINC001032731268 707732284 /nfs/dbraw/zinc/73/22/84/707732284.db2.gz HBNWQVWENFDBRL-FHWLQOOXSA-N 2 0 349.519 1.820 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033426748 707848745 /nfs/dbraw/zinc/84/87/45/707848745.db2.gz UMVUKDCXPZPDPK-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033225021 707849388 /nfs/dbraw/zinc/84/93/88/707849388.db2.gz CBTACCCAGWIRDX-IAGOWNOFSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C(=O)c1ccn2c[nH+]cc2c1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033230646 707892086 /nfs/dbraw/zinc/89/20/86/707892086.db2.gz RFHFPCMKZZENBB-HOCLYGCPSA-N 2 0 328.416 1.517 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2(C3CC[NH+](C[C@H]4CCOC4)CC3)CC2)C1 ZINC001000333943 707985961 /nfs/dbraw/zinc/98/59/61/707985961.db2.gz ULNFMTZBYWZSDZ-HZPDHXFCSA-N 2 0 335.492 1.335 20 0 EDADRP CO[C@H](C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccccc1C[NH+](C)C ZINC001032800725 708083517 /nfs/dbraw/zinc/08/35/17/708083517.db2.gz WMTOTISIQAKZJA-PVAVHDDUSA-N 2 0 331.460 1.682 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NCC2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001001759187 708282921 /nfs/dbraw/zinc/28/29/21/708282921.db2.gz HFVPBENKPAXSBH-YJBOKZPZSA-N 2 0 347.507 1.479 20 0 EDADRP Cc1ncc(CN2CC[C@H](N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)cn1 ZINC001033583603 708307533 /nfs/dbraw/zinc/30/75/33/708307533.db2.gz WEDHLGSVDAZZPP-WBVHZDCISA-N 2 0 331.464 1.160 20 0 EDADRP CN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC001033629347 708374276 /nfs/dbraw/zinc/37/42/76/708374276.db2.gz YUCHFGQSPLUUMS-ICSRJNTNSA-N 2 0 349.519 1.822 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)C34CC[NH+](CC3)C4)CC2)ncn1 ZINC001002043528 708534192 /nfs/dbraw/zinc/53/41/92/708534192.db2.gz QVLOUJVIHOOLDF-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP C[C@H](c1ncccn1)N1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002042279 708563256 /nfs/dbraw/zinc/56/32/56/708563256.db2.gz DRBLKFPWFUUHAK-OAHLLOKOSA-N 2 0 343.475 1.462 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001002121872 708635907 /nfs/dbraw/zinc/63/59/07/708635907.db2.gz WFOLYZHTKNVNTP-QGZVFWFLSA-N 2 0 330.476 1.670 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005385766 708827589 /nfs/dbraw/zinc/82/75/89/708827589.db2.gz VZEOXLOMOGKMCL-WBVHZDCISA-N 2 0 325.497 1.817 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2cccnc2)C1 ZINC001033831132 708853365 /nfs/dbraw/zinc/85/33/65/708853365.db2.gz TUEOXZOHTSXDFU-OALUTQOASA-N 2 0 342.487 1.846 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC001005399277 708885342 /nfs/dbraw/zinc/88/53/42/708885342.db2.gz RCRKTRZSZFDGJA-RBUKOAKNSA-N 2 0 349.519 1.820 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](Cc2cccnc2)CC1 ZINC001005397614 708909502 /nfs/dbraw/zinc/90/95/02/708909502.db2.gz MFNOBGFBFVHECY-LJQANCHMSA-N 2 0 342.487 1.846 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC001002476771 709013602 /nfs/dbraw/zinc/01/36/02/709013602.db2.gz UBGUTSKLKHXZOL-KGLIPLIRSA-N 2 0 331.407 1.085 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCCF)C1 ZINC001033905087 709033529 /nfs/dbraw/zinc/03/35/29/709033529.db2.gz JRIQBNLHEMAETC-BNQMIIOLSA-N 2 0 339.455 1.132 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033941605 709148360 /nfs/dbraw/zinc/14/83/60/709148360.db2.gz QSQZMCRMCONYTN-WMZOPIPTSA-N 2 0 337.508 1.678 20 0 EDADRP COCC[NH2+]CC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000702125735 709336763 /nfs/dbraw/zinc/33/67/63/709336763.db2.gz XGPIRQDDZHRTJV-PKOBYXMFSA-N 2 0 331.460 1.203 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCc2ccnn2C)CC1 ZINC001002793174 709401030 /nfs/dbraw/zinc/40/10/30/709401030.db2.gz WJPFGICBCXPEDC-GOSISDBHSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832102 709443118 /nfs/dbraw/zinc/44/31/18/709443118.db2.gz JFKZWJWZZCCTGO-SFHVURJKSA-N 2 0 345.491 1.151 20 0 EDADRP O=C(NC1CC[NH+](C/C=C\Cl)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875781 709483087 /nfs/dbraw/zinc/48/30/87/709483087.db2.gz QZKAVCAKBHTCON-XSSAKHTASA-N 2 0 327.856 1.183 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034204274 709526059 /nfs/dbraw/zinc/52/60/59/709526059.db2.gz LHNCCWLJQAYWER-ZWKOTPCHSA-N 2 0 347.507 1.727 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cccn2)C1 ZINC001034239050 709620769 /nfs/dbraw/zinc/62/07/69/709620769.db2.gz HMDBNRAYZHIZHW-ROUUACIJSA-N 2 0 347.507 1.728 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291632 709717290 /nfs/dbraw/zinc/71/72/90/709717290.db2.gz MYPQUPPXBFPGEI-DOTOQJQBSA-N 2 0 342.443 1.955 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010486 709780826 /nfs/dbraw/zinc/78/08/26/709780826.db2.gz HOZQIJYNLAWQGY-CVEARBPZSA-N 2 0 338.496 1.094 20 0 EDADRP CC[C@@H](C(N)=O)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003010487 709780910 /nfs/dbraw/zinc/78/09/10/709780910.db2.gz HOZQIJYNLAWQGY-HOTGVXAUSA-N 2 0 338.496 1.094 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)NC1CC[NH+](CCn2cccn2)CC1 ZINC001003011147 709783020 /nfs/dbraw/zinc/78/30/20/709783020.db2.gz MOKCYYMXCYXVJN-GOSISDBHSA-N 2 0 347.507 1.727 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCn3cccn3)C2)C1 ZINC001034395045 709932096 /nfs/dbraw/zinc/93/20/96/709932096.db2.gz ULDFZIRVPYVOAO-IRXDYDNUSA-N 2 0 333.480 1.196 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCCC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001034397224 709937108 /nfs/dbraw/zinc/93/71/08/709937108.db2.gz JQBCPYNQCZVGDW-CRAIPNDOSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436807 710011449 /nfs/dbraw/zinc/01/14/49/710011449.db2.gz SVCPIWBFELECPI-QGZVFWFLSA-N 2 0 335.496 1.685 20 0 EDADRP Cc1nocc1C[NH+]1CCCC[C@H](NC(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034490045 710107723 /nfs/dbraw/zinc/10/77/23/710107723.db2.gz IHRCXMNYXLGKPR-RDJZCZTQSA-N 2 0 334.464 1.796 20 0 EDADRP CO[C@@H](C[N@@H+]1CCCC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1)C1CCC1 ZINC001034491567 710111594 /nfs/dbraw/zinc/11/15/94/710111594.db2.gz UTCDWFZOPCROGJ-ROUUACIJSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001003243507 710166862 /nfs/dbraw/zinc/16/68/62/710166862.db2.gz BBZQAYLVOVMCNB-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309900 710239161 /nfs/dbraw/zinc/23/91/61/710239161.db2.gz GRWPBOGUPWAIOA-HNNXBMFYSA-N 2 0 342.443 1.955 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001034654568 710329702 /nfs/dbraw/zinc/32/97/02/710329702.db2.gz YJOYGFPCDYBSEV-BRSBDYLESA-N 2 0 335.492 1.667 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001003543837 710412150 /nfs/dbraw/zinc/41/21/50/710412150.db2.gz GFHHGYHONPWQNU-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP CCc1nocc1C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001003626718 710448612 /nfs/dbraw/zinc/44/86/12/710448612.db2.gz VSOOCKRRQYZQLQ-AWEZNQCLSA-N 2 0 334.464 1.659 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001003636648 710457065 /nfs/dbraw/zinc/45/70/65/710457065.db2.gz XAWPTPIBAQYCLO-YJBOKZPZSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001003632785 710461360 /nfs/dbraw/zinc/46/13/60/710461360.db2.gz CISPRJDEQYDCSB-YJBOKZPZSA-N 2 0 330.476 1.668 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001003634774 710462289 /nfs/dbraw/zinc/46/22/89/710462289.db2.gz LYFWIKLLUFAONO-XJKSGUPXSA-N 2 0 348.491 1.824 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnnn2C)CC1 ZINC001034658809 710587436 /nfs/dbraw/zinc/58/74/36/710587436.db2.gz HUWPJSXTSFQGOS-BFYDXBDKSA-N 2 0 348.495 1.207 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnns2)CC1 ZINC001034673557 710611298 /nfs/dbraw/zinc/61/12/98/710611298.db2.gz CTNWBXBQIGLXHK-UMVBOHGHSA-N 2 0 337.493 1.539 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCOCC2)CC1 ZINC001034672579 710621001 /nfs/dbraw/zinc/62/10/01/710621001.db2.gz NZHKOYRXKSQPSI-KZNAEPCWSA-N 2 0 337.508 1.914 20 0 EDADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1)C(N)=O ZINC001034703514 710812907 /nfs/dbraw/zinc/81/29/07/710812907.db2.gz ADBZXLOUPYWYOC-KKUMJFAQSA-N 2 0 338.496 1.142 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001034703969 710813959 /nfs/dbraw/zinc/81/39/59/710813959.db2.gz GYWNBHHJEGPQKR-WKILWMFISA-N 2 0 347.507 1.812 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnnn3C)CC2)CC[N@@H+]1C ZINC001034715044 710850849 /nfs/dbraw/zinc/85/08/49/710850849.db2.gz CAQRMZSRNIKCMA-VGWMRTNUSA-N 2 0 348.495 1.062 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001034721121 710872567 /nfs/dbraw/zinc/87/25/67/710872567.db2.gz KBJFAXXCGHFEDI-IYARVYRRSA-N 2 0 347.507 1.587 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC001034734831 710913418 /nfs/dbraw/zinc/91/34/18/710913418.db2.gz AFLVOYTWRSHWRG-BPLDGKMQSA-N 2 0 334.468 1.114 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC001034734040 710915673 /nfs/dbraw/zinc/91/56/73/710915673.db2.gz HVGDTBUDDJUHCK-WBAXXEDZSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC001034735700 710922146 /nfs/dbraw/zinc/92/21/46/710922146.db2.gz MFBOTVQFHDKBEL-BPUTZDHNSA-N 2 0 334.464 1.984 20 0 EDADRP CCn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034737213 710949115 /nfs/dbraw/zinc/94/91/15/710949115.db2.gz HOYQJUMYYAHCPE-FPCVCCKLSA-N 2 0 348.495 1.013 20 0 EDADRP CCc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)o1 ZINC001034738187 710952922 /nfs/dbraw/zinc/95/29/22/710952922.db2.gz QSXPTEPFLQJDMS-QBYUYEEZSA-N 2 0 348.491 1.952 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001034749537 710956996 /nfs/dbraw/zinc/95/69/96/710956996.db2.gz LJFGBDFNZVARHZ-YYIAUSFCSA-N 2 0 325.497 1.649 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cccn3)CC2)C1 ZINC001034776088 711050906 /nfs/dbraw/zinc/05/09/06/711050906.db2.gz PKYOYUFGDSSARP-ULQDDVLXSA-N 2 0 333.480 1.242 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034776052 711050940 /nfs/dbraw/zinc/05/09/40/711050940.db2.gz OLKANISOCWTVGO-UKMLZYKCSA-N 2 0 348.495 1.533 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)ncn1 ZINC001034777766 711056971 /nfs/dbraw/zinc/05/69/71/711056971.db2.gz KKZXDMGORGTPIV-WKILWMFISA-N 2 0 343.475 1.398 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034778379 711079746 /nfs/dbraw/zinc/07/97/46/711079746.db2.gz SAKXZAFIALZSRY-SHTZXODSSA-N 2 0 331.464 1.033 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccccn3)CC2)C1 ZINC001034779820 711086459 /nfs/dbraw/zinc/08/64/59/711086459.db2.gz WQQSRVUHVNWTKZ-BRWVUGGUSA-N 2 0 330.476 1.940 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1)c1ncccn1 ZINC001034793416 711118642 /nfs/dbraw/zinc/11/86/42/711118642.db2.gz CTUXJELDZWCHTF-JYJNAYRXSA-N 2 0 331.464 1.650 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)o1 ZINC001034793912 711125342 /nfs/dbraw/zinc/12/53/42/711125342.db2.gz VFTBEYZXTDNEFN-KKUMJFAQSA-N 2 0 349.479 1.806 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034797413 711131382 /nfs/dbraw/zinc/13/13/82/711131382.db2.gz ZYOMIBPSNGVQPZ-LDKKBFSKSA-N 2 0 348.495 1.205 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CCO[C@H]3CC3(F)F)CC2)C1 ZINC001003974789 711134610 /nfs/dbraw/zinc/13/46/10/711134610.db2.gz KDGLNNRSBPKENY-HIFRSBDPSA-N 2 0 345.434 1.333 20 0 EDADRP O=C(NCc1ccc(C[NH2+]CC2CC2)cc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001034818183 711204088 /nfs/dbraw/zinc/20/40/88/711204088.db2.gz CWDJKGWDUVCHDO-RBUKOAKNSA-N 2 0 343.471 1.666 20 0 EDADRP CC(C)[NH2+]Cc1ccc(CNC(=O)[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC001034818998 711206586 /nfs/dbraw/zinc/20/65/86/711206586.db2.gz URZXUKJSELDRHN-QZTJIDSGSA-N 2 0 331.460 1.664 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(CC)n1 ZINC001034954396 711420229 /nfs/dbraw/zinc/42/02/29/711420229.db2.gz PGGDLQHKVKFLHS-QZTJIDSGSA-N 2 0 347.507 1.858 20 0 EDADRP Cc1noc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC001034957900 711430433 /nfs/dbraw/zinc/43/04/33/711430433.db2.gz OLJZFMSLFJDORU-MRXNPFEDSA-N 2 0 334.464 1.856 20 0 EDADRP Cc1cncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)c1 ZINC001034958133 711431041 /nfs/dbraw/zinc/43/10/41/711431041.db2.gz AYVCFRSYPATTJP-QZTJIDSGSA-N 2 0 330.476 1.811 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3cnccn13)C2 ZINC000922385810 711445350 /nfs/dbraw/zinc/44/53/50/711445350.db2.gz AWHYCCRSLAGMLA-XYVMCAHJSA-N 2 0 329.448 1.299 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3c(cnn3C)c1)C2 ZINC000922390098 711452640 /nfs/dbraw/zinc/45/26/40/711452640.db2.gz KOUQVBYMVIRFCR-YWTNHNAXSA-N 2 0 343.475 1.538 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)cn1C ZINC000922391127 711455567 /nfs/dbraw/zinc/45/55/67/711455567.db2.gz SOHRFBVQURCNIW-VYCZESIESA-N 2 0 349.475 1.381 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc4cnccn34)C2)[C@@H]1C(C)C ZINC000922392117 711457235 /nfs/dbraw/zinc/45/72/35/711457235.db2.gz BMRGSDLTNJIKAM-FPAYPSAMSA-N 2 0 343.475 1.689 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cnc(N(C)C)n3C)C2)[C@H]1C(C)C ZINC000922392738 711458236 /nfs/dbraw/zinc/45/82/36/711458236.db2.gz GVJPFPJUUBRXCX-YWTNHNAXSA-N 2 0 349.523 1.446 20 0 EDADRP COCc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001004143037 711542976 /nfs/dbraw/zinc/54/29/76/711542976.db2.gz KZUQSEGTZFTVDF-SFHVURJKSA-N 2 0 345.487 1.865 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC001004150385 711565746 /nfs/dbraw/zinc/56/57/46/711565746.db2.gz SAJVCOWFQJACFS-MRXNPFEDSA-N 2 0 333.480 1.032 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033140774 711940303 /nfs/dbraw/zinc/94/03/03/711940303.db2.gz JIRJINQFPPSTPL-ROUUACIJSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([C@H]3CCC[NH+]3CCCO)CC2)C1 ZINC001004547159 711957621 /nfs/dbraw/zinc/95/76/21/711957621.db2.gz MDEWEQAGGOCATC-SJLPKXTDSA-N 2 0 337.508 1.414 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000445767825 539461681 /nfs/dbraw/zinc/46/16/81/539461681.db2.gz UFYKZALCVHOLCM-HNNXBMFYSA-N 2 0 348.491 1.576 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000436126286 539569574 /nfs/dbraw/zinc/56/95/74/539569574.db2.gz QPFUROFYESLETD-GJZGRUSLSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000333888836 539657984 /nfs/dbraw/zinc/65/79/84/539657984.db2.gz XTEYXYKCJSFKNY-YJBOKZPZSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CC1 ZINC000333921214 539661061 /nfs/dbraw/zinc/66/10/61/539661061.db2.gz QKVTXTYYMVKGQA-UHFFFAOYSA-N 2 0 334.508 1.924 20 0 EDADRP Cc1cc(C)c(CNC(=O)N2C[C@H](C)[C@H](N3CCOCC3)C2)cn1 ZINC000334092792 539668160 /nfs/dbraw/zinc/66/81/60/539668160.db2.gz OXMFBPITNCZWNE-WMLDXEAASA-N 2 0 332.448 1.561 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000343015032 539776053 /nfs/dbraw/zinc/77/60/53/539776053.db2.gz PINQJRAITCMIMB-HUUCEWRRSA-N 2 0 340.512 1.022 20 0 EDADRP OC1(CN2CCOCC2)CC[NH+](CCOC2CCCCCC2)CC1 ZINC000354909748 539950860 /nfs/dbraw/zinc/95/08/60/539950860.db2.gz TWXLSEXSRZIVRB-UHFFFAOYSA-N 2 0 340.508 1.885 20 0 EDADRP O=C(CCc1c[nH]cn1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000356257718 539964282 /nfs/dbraw/zinc/96/42/82/539964282.db2.gz UIIWYLKVDFCQJK-SFHVURJKSA-N 2 0 328.416 1.096 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000562808745 306309859 /nfs/dbraw/zinc/30/98/59/306309859.db2.gz QAWFBESCYBAJHN-HZPDHXFCSA-N 2 0 331.464 1.725 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000157853940 539984347 /nfs/dbraw/zinc/98/43/47/539984347.db2.gz BCHMWMMFRCYNEQ-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)nn1 ZINC000562839094 306311123 /nfs/dbraw/zinc/31/11/23/306311123.db2.gz YZZLYJJUTOYLBI-INIZCTEOSA-N 2 0 346.410 1.542 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000562949525 306313430 /nfs/dbraw/zinc/31/34/30/306313430.db2.gz HRWJPDSZTWMGGU-MJGOQNOKSA-N 2 0 331.460 1.176 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000563134285 306319745 /nfs/dbraw/zinc/31/97/45/306319745.db2.gz XPCBCJKCQRRLKP-HUBLWGQQSA-N 2 0 348.447 1.252 20 0 EDADRP Cc1cnc2cc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccn12 ZINC000563382056 306331069 /nfs/dbraw/zinc/33/10/69/306331069.db2.gz AXLCZOZUMNUWDI-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1([NH+]2CCOCC2)CCCC1 ZINC000363566130 299236091 /nfs/dbraw/zinc/23/60/91/299236091.db2.gz NDUXLBQOPRMAIB-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000563559514 306338893 /nfs/dbraw/zinc/33/88/93/306338893.db2.gz ROJKEPPMSRIIIZ-FGTMMUONSA-N 2 0 330.476 1.936 20 0 EDADRP C[C@H]1OCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028777 138277383 /nfs/dbraw/zinc/27/73/83/138277383.db2.gz VTKUADBPMRYECT-CRAIPNDOSA-N 2 0 331.460 1.779 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000418942754 283210319 /nfs/dbraw/zinc/21/03/19/283210319.db2.gz XUPMVVMMGZMZHX-HZPDHXFCSA-N 2 0 340.512 1.201 20 0 EDADRP c1nc(NCC2(N3CCOCC3)CCOCC2)cc(N2CCCC2)n1 ZINC000413395061 304059879 /nfs/dbraw/zinc/05/98/79/304059879.db2.gz BXNVYSZOOSUPBI-UHFFFAOYSA-N 2 0 347.463 1.370 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000111867889 138308962 /nfs/dbraw/zinc/30/89/62/138308962.db2.gz JYUVOGZXWNGNIZ-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)C[C@@](C)(O)CNC(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000126237510 138337620 /nfs/dbraw/zinc/33/76/20/138337620.db2.gz NTKQHRCZKWRVMX-YJBOKZPZSA-N 2 0 340.512 1.395 20 0 EDADRP COCCCC[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000130681107 138344453 /nfs/dbraw/zinc/34/44/53/138344453.db2.gz CPGXXSFIUAYVKC-UHFFFAOYSA-N 2 0 327.513 1.829 20 0 EDADRP C[NH+](C)C1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000172797750 138667362 /nfs/dbraw/zinc/66/73/62/138667362.db2.gz CCDACSJJQADNJC-UHFFFAOYSA-N 2 0 344.503 1.600 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209343 306357134 /nfs/dbraw/zinc/35/71/34/306357134.db2.gz NRTQLBMDXICSEU-IDHHARJASA-N 2 0 345.443 1.640 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]C2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000564850926 306367446 /nfs/dbraw/zinc/36/74/46/306367446.db2.gz ZEKUGCTWGQLNTD-JTDSTZFVSA-N 2 0 339.524 1.453 20 0 EDADRP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1)[C@@H](C)[NH3+] ZINC000564924567 306369807 /nfs/dbraw/zinc/36/98/07/306369807.db2.gz LCLNNOIVOKGFEU-SJORKVTESA-N 2 0 338.540 1.672 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)ccn1 ZINC000359900933 201115984 /nfs/dbraw/zinc/11/59/84/201115984.db2.gz QVBJIFNAQCRAQZ-DLBZAZTESA-N 2 0 346.475 1.721 20 0 EDADRP CCn1cc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414195118 304105344 /nfs/dbraw/zinc/10/53/44/304105344.db2.gz NQSRLCSAVKNQAF-INIZCTEOSA-N 2 0 335.496 1.350 20 0 EDADRP OCC[NH+]1CCC(C[NH2+]Cc2cccc3c2OC(F)(F)O3)CC1 ZINC000414343143 304108809 /nfs/dbraw/zinc/10/88/09/304108809.db2.gz XYZCWYQLTNZFIP-UHFFFAOYSA-N 2 0 328.359 1.802 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1 ZINC000565890219 306394035 /nfs/dbraw/zinc/39/40/35/306394035.db2.gz NDFAFSMYGDZXIR-KURKYZTESA-N 2 0 331.460 1.516 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)ccc2F)(N2CCOCC2)CC1 ZINC000414486114 304118941 /nfs/dbraw/zinc/11/89/41/304118941.db2.gz QOELLDLHBSHMOW-UHFFFAOYSA-N 2 0 339.430 1.851 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000566179034 306402051 /nfs/dbraw/zinc/40/20/51/306402051.db2.gz MFCCTTVVCUTVFH-SJLPKXTDSA-N 2 0 331.460 1.082 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)CC[NH2+]1 ZINC000414703853 304130535 /nfs/dbraw/zinc/13/05/35/304130535.db2.gz YIINWABLSVCBOQ-GDBMZVCRSA-N 2 0 333.480 1.250 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000414743140 304135958 /nfs/dbraw/zinc/13/59/58/304135958.db2.gz VEOVOXCRVZSDRU-HZPDHXFCSA-N 2 0 345.491 1.948 20 0 EDADRP COc1ccc(C[NH2+]CCCN2CC[NH2+]CC2)c(Cl)c1OC ZINC000414778698 304139687 /nfs/dbraw/zinc/13/96/87/304139687.db2.gz IJCQTOLGNFCAJP-UHFFFAOYSA-N 2 0 327.856 1.742 20 0 EDADRP COCCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414780892 304140235 /nfs/dbraw/zinc/14/02/35/304140235.db2.gz MCNCVOVXFXFJCD-QGZVFWFLSA-N 2 0 334.460 1.899 20 0 EDADRP C[N@H+](C[C@H](O)Cn1cccn1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109840 203338773 /nfs/dbraw/zinc/33/87/73/203338773.db2.gz FULBPHXMRJWQFQ-MOPGFXCFSA-N 2 0 328.460 1.698 20 0 EDADRP C[C@]1(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090483 304158602 /nfs/dbraw/zinc/15/86/02/304158602.db2.gz OZJQCJLSIFGZFU-ICSRJNTNSA-N 3 0 344.503 1.473 20 0 EDADRP CC[N@H+](CCNC(=O)NCC[NH+]1CCc2ccccc2C1)C1CC1 ZINC000101981138 204029584 /nfs/dbraw/zinc/02/95/84/204029584.db2.gz XGMMQGWAIAAJSX-UHFFFAOYSA-N 2 0 330.476 1.828 20 0 EDADRP COCCOc1ccccc1C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415126788 304162052 /nfs/dbraw/zinc/16/20/52/304162052.db2.gz MJNMFBYNBYQACP-KRWDZBQOSA-N 2 0 345.447 1.599 20 0 EDADRP COCCOc1ccccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133167 304162431 /nfs/dbraw/zinc/16/24/31/304162431.db2.gz BWGAYBVFTFMBKZ-MSOLQXFVSA-N 2 0 346.471 1.912 20 0 EDADRP CCOc1ccccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000195519162 139019414 /nfs/dbraw/zinc/01/94/14/139019414.db2.gz WGCMWXAMOGXFLX-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000236851952 139033491 /nfs/dbraw/zinc/03/34/91/139033491.db2.gz LYQFSQUIQNRTRQ-ZWKOTPCHSA-N 2 0 332.492 1.609 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000236793985 139031608 /nfs/dbraw/zinc/03/16/08/139031608.db2.gz XHIJVISIFIEBCE-SFHVURJKSA-N 2 0 332.492 1.832 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2)CC1 ZINC000237092716 139040380 /nfs/dbraw/zinc/04/03/80/139040380.db2.gz XOYSCDTXAWLYFN-SFHVURJKSA-N 2 0 342.487 1.762 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000237262650 139045922 /nfs/dbraw/zinc/04/59/22/139045922.db2.gz UVEYBJPVSFPTJF-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC000128588437 205152952 /nfs/dbraw/zinc/15/29/52/205152952.db2.gz LKDUXBFOMQBUHS-QZTJIDSGSA-N 2 0 330.476 1.434 20 0 EDADRP CC[N@H+](CC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000130465800 205240954 /nfs/dbraw/zinc/24/09/54/205240954.db2.gz MMYMSQFUMIHFJE-UHFFFAOYSA-N 2 0 344.503 1.405 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)C3([NH3+])CCCCC3)CC2)C[C@H](C)O1 ZINC000237602491 139055435 /nfs/dbraw/zinc/05/54/35/139055435.db2.gz CJHYMDLFRRHHLA-IYBDPMFKSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C(=O)C[C@@H]2CSCC[NH2+]2)C[C@H](C)O1 ZINC000237615535 139055865 /nfs/dbraw/zinc/05/58/65/139055865.db2.gz PBDGFQOYRDSIOH-QXSJWSMHSA-N 2 0 341.521 1.182 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237674154 139057715 /nfs/dbraw/zinc/05/77/15/139057715.db2.gz FJYCHFCNJKLOTE-CQSZACIVSA-N 2 0 334.468 1.197 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@@H]1CCC[NH2+]1 ZINC000237904771 139063434 /nfs/dbraw/zinc/06/34/34/139063434.db2.gz MSRBLCRTMKBDHV-SFHVURJKSA-N 2 0 328.460 1.909 20 0 EDADRP Cc1c(C(=O)N[C@@H](C[NH3+])C2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000237824674 139061267 /nfs/dbraw/zinc/06/12/67/139061267.db2.gz XCFQETBXXONUAL-HNNXBMFYSA-N 2 0 334.468 1.148 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000237973899 139065426 /nfs/dbraw/zinc/06/54/26/139065426.db2.gz XUILKUUIUYXSHE-SJORKVTESA-N 2 0 345.491 1.227 20 0 EDADRP O=C(NCCCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000238040102 139067347 /nfs/dbraw/zinc/06/73/47/139067347.db2.gz KSNCKTHTGPJBER-IBGZPJMESA-N 2 0 344.503 1.453 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)Nc1ccc(CCN2CCOCC2)cc1 ZINC000238065438 139068100 /nfs/dbraw/zinc/06/81/00/139068100.db2.gz MOTADGSTHIXYJT-QGZVFWFLSA-N 2 0 349.500 1.595 20 0 EDADRP CC[C@H](CSC)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000245569040 139079904 /nfs/dbraw/zinc/07/99/04/139079904.db2.gz AJKQVMGTEZDDOC-CVEARBPZSA-N 2 0 345.553 1.533 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000154047099 205904419 /nfs/dbraw/zinc/90/44/19/205904419.db2.gz WUNHQBQFYRZESA-UHFFFAOYSA-N 2 0 347.503 1.963 20 0 EDADRP C[C@H]1CN(c2ccc(CNC(=O)CCC3CC[NH2+]CC3)cn2)CCO1 ZINC000155895866 206042825 /nfs/dbraw/zinc/04/28/25/206042825.db2.gz KERQARRAFYMWEV-HNNXBMFYSA-N 2 0 346.475 1.703 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@](C)(C[NH3+])C(C)C)CC2)c1 ZINC000158251801 206181867 /nfs/dbraw/zinc/18/18/67/206181867.db2.gz ICWMKQJSOGHLSE-FQEVSTJZSA-N 2 0 346.519 1.997 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000158566359 206197721 /nfs/dbraw/zinc/19/77/21/206197721.db2.gz RPYSYCYTBHVVJH-KRWDZBQOSA-N 2 0 330.476 1.780 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)C[C@H]3CCCC[C@H]3[NH3+])CC2)CC1 ZINC000567910434 306466255 /nfs/dbraw/zinc/46/62/55/306466255.db2.gz WRNCGAMFUSGLGN-QZTJIDSGSA-N 2 0 336.524 1.380 20 0 EDADRP C[C@@H](CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)C1CC[NH2+]CC1 ZINC000246209672 139099227 /nfs/dbraw/zinc/09/92/27/139099227.db2.gz FSVZIUTVTGHCCZ-ARFHVFGLSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000417843996 296233084 /nfs/dbraw/zinc/23/30/84/296233084.db2.gz WDHZEJHWJIRMIU-OALUTQOASA-N 2 0 327.472 1.837 20 0 EDADRP O=C(Nc1cccc(CC[NH+]2CCCC2)c1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000415313780 304192116 /nfs/dbraw/zinc/19/21/16/304192116.db2.gz IIFHSFZODFGHQN-KRWDZBQOSA-N 2 0 344.459 1.132 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000415334526 304196833 /nfs/dbraw/zinc/19/68/33/304196833.db2.gz SNIFSXQSHURELM-WMLDXEAASA-N 2 0 344.459 1.335 20 0 EDADRP CC[NH+](CC)CCN(CCC(F)(F)F)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418677645 284616466 /nfs/dbraw/zinc/61/64/66/284616466.db2.gz UXBHBXKTBUPRET-ITGUQSILSA-N 2 0 336.402 1.510 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1)N1CC[NH+](C)CC1 ZINC000568383863 306480508 /nfs/dbraw/zinc/48/05/08/306480508.db2.gz MRCZAAOPSFVNDS-IEBWSBKVSA-N 2 0 335.492 1.288 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000171194887 206671621 /nfs/dbraw/zinc/67/16/21/206671621.db2.gz KMXLWUOXGWUJRF-INIZCTEOSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000248855767 139177907 /nfs/dbraw/zinc/17/79/07/139177907.db2.gz PGUPJLIPTGEWFL-HHXXYDBFSA-N 2 0 348.491 1.119 20 0 EDADRP CC[N@H+](CCO)CCN[C@@H]1CC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]12 ZINC000249027281 139183306 /nfs/dbraw/zinc/18/33/06/139183306.db2.gz RUKRCUGSQGITLX-VAMGGRTRSA-N 2 0 331.504 1.801 20 0 EDADRP C[NH2+][C@H](C)Cc1noc(CN2CCN(Cc3ccccc3)CC2)n1 ZINC000261627610 139212398 /nfs/dbraw/zinc/21/23/98/139212398.db2.gz CGHHAWQUJJIIKC-OAHLLOKOSA-N 2 0 329.448 1.538 20 0 EDADRP [NH3+]CC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCOCC1 ZINC000261629599 139212724 /nfs/dbraw/zinc/21/27/24/139212724.db2.gz HDGMHWBGRPJEOE-KRWDZBQOSA-N 2 0 331.460 1.695 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C2(C[NH3+])CCOCC2)[NH+]2CCCC2)o1 ZINC000261897485 139234923 /nfs/dbraw/zinc/23/49/23/139234923.db2.gz ABUHXNSXDBIHGT-HNNXBMFYSA-N 2 0 335.448 1.597 20 0 EDADRP O=C(CC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000261902650 139235333 /nfs/dbraw/zinc/23/53/33/139235333.db2.gz PDGQNUGRLXWSQU-INIZCTEOSA-N 2 0 336.867 1.648 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000261868831 139232857 /nfs/dbraw/zinc/23/28/57/139232857.db2.gz XPWMCNHOQKRRJR-HUUCEWRRSA-N 2 0 325.522 1.839 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)O1 ZINC000261930877 139238060 /nfs/dbraw/zinc/23/80/60/139238060.db2.gz ZTGJNRJMPOQMFO-KURKYZTESA-N 2 0 331.460 1.174 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261959188 139240168 /nfs/dbraw/zinc/24/01/68/139240168.db2.gz KTGSDRSNPSOUPX-MOPGFXCFSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)[C@@H]3CC[C@H](C[NH3+])O3)cc2)C1 ZINC000261971705 139240957 /nfs/dbraw/zinc/24/09/57/139240957.db2.gz LNPZESUNROAWHV-OLMNPRSZSA-N 2 0 347.459 1.852 20 0 EDADRP O=C(CC[N@@H+]1CCCN(Cc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000261977060 139241216 /nfs/dbraw/zinc/24/12/16/139241216.db2.gz BTFHQDNYQMOCKN-UHFFFAOYSA-N 2 0 330.476 1.016 20 0 EDADRP Cc1nc2ccc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)cc2s1 ZINC000262038200 139245698 /nfs/dbraw/zinc/24/56/98/139245698.db2.gz XYHCSBGBNIDLEC-AWEZNQCLSA-N 2 0 332.473 1.892 20 0 EDADRP [NH3+][C@H](C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1)C1CCOCC1 ZINC000262043863 139246250 /nfs/dbraw/zinc/24/62/50/139246250.db2.gz QLUSLUKTKHLDNS-SFHVURJKSA-N 2 0 347.459 1.336 20 0 EDADRP COC(=O)CCn1nc(C)c(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1C ZINC000262049630 139246804 /nfs/dbraw/zinc/24/68/04/139246804.db2.gz QBVLXNXGRHXPSB-UHFFFAOYSA-N 2 0 334.464 1.639 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262075158 139248815 /nfs/dbraw/zinc/24/88/15/139248815.db2.gz SKVMXBRSYTUOBK-INIZCTEOSA-N 2 0 333.432 1.293 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2ccnn2C)c1 ZINC000262160327 139256233 /nfs/dbraw/zinc/25/62/33/139256233.db2.gz SOIVJFFFWGDLMM-GOSISDBHSA-N 2 0 339.487 1.875 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C)c1ccccc1 ZINC000262278469 139265992 /nfs/dbraw/zinc/26/59/92/139265992.db2.gz UHQMLHYBQXPUJW-PFRQMTDMSA-N 2 0 345.487 1.938 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000416791055 251110968 /nfs/dbraw/zinc/11/09/68/251110968.db2.gz ICWBPUWZKFJZJZ-OAHLLOKOSA-N 2 0 340.418 1.933 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H](C[NH3+])C2CCCC2)C1 ZINC000416871991 251113601 /nfs/dbraw/zinc/11/36/01/251113601.db2.gz PUILEYFUABBOGG-HZPDHXFCSA-N 2 0 326.485 1.160 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H]([C@H](C)[NH3+])C2)C1 ZINC000416871609 251114846 /nfs/dbraw/zinc/11/48/46/251114846.db2.gz PRVNQBXDYKVWQR-HRCADAONSA-N 2 0 326.485 1.112 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000416880033 251117325 /nfs/dbraw/zinc/11/73/25/251117325.db2.gz XRECGVRLFDIGGI-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000417008783 251128297 /nfs/dbraw/zinc/12/82/97/251128297.db2.gz JFZUPAMVUIYXNQ-SJORKVTESA-N 2 0 347.507 1.981 20 0 EDADRP [NH3+][C@H]1CCC[C@@H](CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000417012308 251130340 /nfs/dbraw/zinc/13/03/40/251130340.db2.gz WWZHQRDUGZFRSQ-QAPCUYQASA-N 2 0 330.476 1.861 20 0 EDADRP CC(C)(CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000417087954 251141842 /nfs/dbraw/zinc/14/18/42/251141842.db2.gz IUTVYOFNZRFMMC-AEFFLSMTSA-N 2 0 342.487 1.827 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000417219403 251148044 /nfs/dbraw/zinc/14/80/44/251148044.db2.gz JGIJHOONUYAWOQ-DJIMGWMZSA-N 2 0 332.448 1.110 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CCC[NH2+]1 ZINC000417321959 251158965 /nfs/dbraw/zinc/15/89/65/251158965.db2.gz DRPPQGBUQRJXFC-ZMSDIMECSA-N 2 0 326.485 1.175 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000417389607 251161677 /nfs/dbraw/zinc/16/16/77/251161677.db2.gz PSSCJTRBDQXMRJ-MRXNPFEDSA-N 2 0 339.528 1.362 20 0 EDADRP CC(C)([NH3+])CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417589830 251200106 /nfs/dbraw/zinc/20/01/06/251200106.db2.gz WFKLVUFNLYTOIA-UHFFFAOYSA-N 2 0 340.512 1.837 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417562376 251188957 /nfs/dbraw/zinc/18/89/57/251188957.db2.gz FTMBSQYFQOSLPP-OAHLLOKOSA-N 2 0 326.485 1.448 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)CCC[NH3+])[C@@H](C)C1 ZINC000417669600 251220392 /nfs/dbraw/zinc/22/03/92/251220392.db2.gz MCFIIAXDRALAMV-JYJNAYRXSA-N 2 0 328.501 1.550 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000417613967 251206796 /nfs/dbraw/zinc/20/67/96/251206796.db2.gz USRIAHGWTNMHJK-CVEARBPZSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H](NC(=O)NCC1([NH+]2CCSCC2)CCCCC1)[C@H](C)[NH3+] ZINC000417622564 251208471 /nfs/dbraw/zinc/20/84/71/251208471.db2.gz HKVFBAFNECJZHN-UONOGXRCSA-N 2 0 328.526 1.773 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000569439792 306507528 /nfs/dbraw/zinc/50/75/28/306507528.db2.gz QTMWFPBAYPMXLO-IRXDYDNUSA-N 2 0 332.448 1.111 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N(C)C2CC([NH3+])C2)[C@@H](C)C1 ZINC000417670233 251223376 /nfs/dbraw/zinc/22/33/76/251223376.db2.gz NNDGAASCNBOYEX-LBDPXKHJSA-N 2 0 326.485 1.255 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C ZINC000176061235 207187834 /nfs/dbraw/zinc/18/78/34/207187834.db2.gz DHADDUQBGHDISY-ZDUSSCGKSA-N 2 0 349.479 1.699 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000417713969 251239084 /nfs/dbraw/zinc/23/90/84/251239084.db2.gz RMTQYFHHNKIPSB-MRXNPFEDSA-N 2 0 326.485 1.320 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccc(F)cc1 ZINC000417830140 251288938 /nfs/dbraw/zinc/28/89/38/251288938.db2.gz RNJFDBVZUDVSIM-ZDUSSCGKSA-N 2 0 332.370 1.539 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417835664 251289982 /nfs/dbraw/zinc/28/99/82/251289982.db2.gz GPTVTZNQUZIBAJ-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP C[C@H](NC(=O)NCC[N@H+](C)Cc1ccc(F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000417837170 251292729 /nfs/dbraw/zinc/29/27/29/251292729.db2.gz XMJSRWOVCNHZIH-GOEBONIOSA-N 2 0 336.455 1.945 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000417844023 251294943 /nfs/dbraw/zinc/29/49/43/251294943.db2.gz HHLOIMJWSSZINT-HNNXBMFYSA-N 2 0 334.468 1.011 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H](C[NH3+])C1 ZINC000417791243 251271295 /nfs/dbraw/zinc/27/12/95/251271295.db2.gz JPQPKQNLXAIPCF-BRWVUGGUSA-N 2 0 338.496 1.399 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000417802326 251276999 /nfs/dbraw/zinc/27/69/99/251276999.db2.gz DRWKAUHKBBJGJN-CVEARBPZSA-N 2 0 340.512 1.563 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000417812157 251281407 /nfs/dbraw/zinc/28/14/07/251281407.db2.gz PHCYCDYFIPDJRA-HNNXBMFYSA-N 2 0 328.501 1.693 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418110680 251325424 /nfs/dbraw/zinc/32/54/24/251325424.db2.gz WPPZFASJZWDIPE-IEBWSBKVSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000417858245 251300101 /nfs/dbraw/zinc/30/01/01/251300101.db2.gz UWGBUASISZUKGB-HZMBPMFUSA-N 2 0 328.254 1.867 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000262524850 139284152 /nfs/dbraw/zinc/28/41/52/139284152.db2.gz KGTPTQWICHJBAD-YDHLFZDLSA-N 2 0 332.448 1.306 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418426815 251368395 /nfs/dbraw/zinc/36/83/95/251368395.db2.gz KIXKNTFCZPYWSP-NVXWUHKLSA-N 2 0 333.480 1.012 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@H]([NH3+])C(C)C)CC1 ZINC000418382988 251363787 /nfs/dbraw/zinc/36/37/87/251363787.db2.gz IOZSLGRMDBTOKD-KRWDZBQOSA-N 2 0 342.528 1.750 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262651738 139293189 /nfs/dbraw/zinc/29/31/89/139293189.db2.gz RMGVCELXJJDLHC-GDBMZVCRSA-N 2 0 346.475 1.696 20 0 EDADRP [NH3+]CCCCCCC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000262665971 139294604 /nfs/dbraw/zinc/29/46/04/139294604.db2.gz JXAYSSLMXRZNID-UHFFFAOYSA-N 2 0 325.497 1.999 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(N2C[C@H](C)O[C@@H](C)C2)nc1 ZINC000422874849 252008954 /nfs/dbraw/zinc/00/89/54/252008954.db2.gz DKGAMTSPPVTJDY-ZOBUZTSGSA-N 2 0 336.480 1.539 20 0 EDADRP CC(C)N(C)S(=O)(=O)c1ccc(C[NH2+][C@H](C)C[C@H](C)[NH3+])cc1 ZINC000422897067 252015650 /nfs/dbraw/zinc/01/56/50/252015650.db2.gz BJKXTLXBVPNFKQ-UONOGXRCSA-N 2 0 327.494 1.931 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])(N2CCOCC2)C1 ZINC000423073634 252034965 /nfs/dbraw/zinc/03/49/65/252034965.db2.gz JKSZWLFVBNOPRK-PBHCIXSXSA-N 2 0 325.497 1.363 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000423347249 252047700 /nfs/dbraw/zinc/04/77/00/252047700.db2.gz ZZSNUFLEPAGEQD-UHFFFAOYSA-N 2 0 344.463 1.397 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000423357084 252052619 /nfs/dbraw/zinc/05/26/19/252052619.db2.gz LLJYYXPZMZJLRM-AZUAARDMSA-N 2 0 345.487 1.874 20 0 EDADRP O=C(CNC(=O)[C@@H]1CCC[NH2+]1)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423776478 252068766 /nfs/dbraw/zinc/06/87/66/252068766.db2.gz QOZNVFDTIMDVSZ-KRWDZBQOSA-N 2 0 344.459 1.132 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422907051 252018893 /nfs/dbraw/zinc/01/88/93/252018893.db2.gz ASZSGYABRYGRDO-SJORKVTESA-N 2 0 332.492 1.831 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262910553 139312236 /nfs/dbraw/zinc/31/22/36/139312236.db2.gz YKSXRBZUYZXUBC-CVEARBPZSA-N 2 0 333.480 1.754 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423932213 252105961 /nfs/dbraw/zinc/10/59/61/252105961.db2.gz NQVZGWQCNKSCOJ-CIRFHOKZSA-N 2 0 347.507 1.553 20 0 EDADRP [NH3+]C[C@H](C(=O)N1C[C@@H](c2cccc(F)c2)[C@H]([NH3+])C1)c1ccccc1 ZINC000424015350 252114348 /nfs/dbraw/zinc/11/43/48/252114348.db2.gz ZEHPLYPLHGINMS-OKZBNKHCSA-N 2 0 327.403 1.821 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000423785747 252073201 /nfs/dbraw/zinc/07/32/01/252073201.db2.gz ABSMWQCWRDHZCF-SFHVURJKSA-N 2 0 337.508 1.870 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C1 ZINC000424143933 252142258 /nfs/dbraw/zinc/14/22/58/252142258.db2.gz KGASDBGXPGFODT-HUUCEWRRSA-N 2 0 333.480 1.301 20 0 EDADRP CC(C)n1cncc1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000424138293 252138193 /nfs/dbraw/zinc/13/81/93/252138193.db2.gz UDKMGYMOAFJXBG-UHFFFAOYSA-N 2 0 328.464 1.901 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000262937850 139314017 /nfs/dbraw/zinc/31/40/17/139314017.db2.gz UGCJTLPLFPUULW-AWEZNQCLSA-N 2 0 329.510 1.218 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000262940228 139314096 /nfs/dbraw/zinc/31/40/96/139314096.db2.gz ULTICFGPZABXGJ-SJORKVTESA-N 2 0 330.476 1.455 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424475018 252245062 /nfs/dbraw/zinc/24/50/62/252245062.db2.gz YJIOLVHKANDVIV-IAGOWNOFSA-N 2 0 344.459 1.477 20 0 EDADRP COC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000165347582 532974593 /nfs/dbraw/zinc/97/45/93/532974593.db2.gz GWDGESCBOGZRKO-KRWDZBQOSA-N 2 0 331.460 1.536 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]2CCCC[NH+]2C[C@H]1C ZINC000343984914 285023726 /nfs/dbraw/zinc/02/37/26/285023726.db2.gz CPIJDDAKYOQGHK-BRWVUGGUSA-N 2 0 338.496 1.365 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000111843315 285034401 /nfs/dbraw/zinc/03/44/01/285034401.db2.gz WOKGLBHEWRMREQ-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000569842946 306522908 /nfs/dbraw/zinc/52/29/08/306522908.db2.gz FAPNJWPUXANIME-LSDHHAIUSA-N 2 0 336.484 1.270 20 0 EDADRP [NH3+]CCCn1cc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)nn1 ZINC000569924814 306525280 /nfs/dbraw/zinc/52/52/80/306525280.db2.gz KPIYRMLYWVZCOE-UHFFFAOYSA-N 2 0 334.468 1.154 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000112284345 220285799 /nfs/dbraw/zinc/28/57/99/220285799.db2.gz VFUHGUYWXTWFRC-UHFFFAOYSA-N 2 0 345.491 1.390 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(O)c1 ZINC000263708577 139354494 /nfs/dbraw/zinc/35/44/94/139354494.db2.gz QBOMDMOYDSMVGW-QGZVFWFLSA-N 2 0 333.476 1.809 20 0 EDADRP CCC(CC)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)[NH+]1CCOCC1 ZINC000494718193 255259520 /nfs/dbraw/zinc/25/95/20/255259520.db2.gz NKHVAEBYBNBASY-SJORKVTESA-N 2 0 325.497 1.772 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NCCCN3CC[NH2+]CC3)ccc21 ZINC000415796552 304273045 /nfs/dbraw/zinc/27/30/45/304273045.db2.gz YIHTZUQFYGPHRK-GOSISDBHSA-N 2 0 345.491 1.652 20 0 EDADRP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]Cc1cnc(N(C)C)n1C ZINC000495890307 255334750 /nfs/dbraw/zinc/33/47/50/255334750.db2.gz ZBSDBAISYLDSDO-GFCCVEGCSA-N 2 0 325.457 1.737 20 0 EDADRP CC(C)(C)OC(=O)N1CC2(CC([NH2+]C[C@@H](O)C[NH+]3CCCC3)C2)C1 ZINC000495980609 255336691 /nfs/dbraw/zinc/33/66/91/255336691.db2.gz JNMYQZPEGREVAF-OAHLLOKOSA-N 2 0 339.480 1.432 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCc2c[nH]nc2C1 ZINC000361690397 285280514 /nfs/dbraw/zinc/28/05/14/285280514.db2.gz GYFMDPAUYNZWIP-RDJZCZTQSA-N 2 0 347.507 1.389 20 0 EDADRP CCC[NH+]1CCC([NH2+]CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000119678985 221374442 /nfs/dbraw/zinc/37/44/42/221374442.db2.gz VYDDKFRMMPSMIJ-UHFFFAOYSA-N 2 0 325.478 1.341 20 0 EDADRP O[C@H](COCC(F)(F)F)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000367927657 285358138 /nfs/dbraw/zinc/35/81/38/285358138.db2.gz QGIINVOVYVHRHL-QEJZJMRPSA-N 2 0 336.398 1.875 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c1 ZINC000415925362 304286032 /nfs/dbraw/zinc/28/60/32/304286032.db2.gz XVFARQJRKBOYRB-HUUCEWRRSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@H](NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000571184064 306560321 /nfs/dbraw/zinc/56/03/21/306560321.db2.gz YRFNDXDWHBYLHP-MAUKXSAKSA-N 2 0 344.503 1.773 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000571395062 306564055 /nfs/dbraw/zinc/56/40/55/306564055.db2.gz SPWWESVYWUIZGI-ARFHVFGLSA-N 2 0 343.479 1.590 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000571400923 306564366 /nfs/dbraw/zinc/56/43/66/306564366.db2.gz FSOLJRAURIQKDT-SWLSCSKDSA-N 2 0 325.403 1.853 20 0 EDADRP CC[N@H+](CCCO)[C@@H](C)C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270709742 140152643 /nfs/dbraw/zinc/15/26/43/140152643.db2.gz HRHPEIRMSWPKLF-FUHWJXTLSA-N 2 0 333.476 1.470 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc2nc[nH]c2n1 ZINC000271264813 140267552 /nfs/dbraw/zinc/26/75/52/140267552.db2.gz KGMWGHUVTNVRFN-UHFFFAOYSA-N 2 0 332.452 1.304 20 0 EDADRP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000271452511 140297760 /nfs/dbraw/zinc/29/77/60/140297760.db2.gz UZYMPZPTEWDXCK-VQTJNVASSA-N 2 0 329.488 1.915 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000332167232 141134280 /nfs/dbraw/zinc/13/42/80/141134280.db2.gz UYGYNVLPJBYUGG-HOCLYGCPSA-N 2 0 331.464 1.700 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N2CC[NH+](C3CCOCC3)CC2)c1 ZINC000332496018 141191057 /nfs/dbraw/zinc/19/10/57/141191057.db2.gz DYJMFIMIXQIOOR-UHFFFAOYSA-N 2 0 332.448 1.782 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC([C@@H]4OCCC[C@@H]4[NH3+])CC3)cc12 ZINC000333186064 141277924 /nfs/dbraw/zinc/27/79/24/141277924.db2.gz SXMAJMKQUGWTKD-ROUUACIJSA-N 2 0 343.475 1.995 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCC1 ZINC000333291923 141293792 /nfs/dbraw/zinc/29/37/92/141293792.db2.gz AOSQMUNYBQXREP-HZPDHXFCSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000333649687 141350417 /nfs/dbraw/zinc/35/04/17/141350417.db2.gz JOVBPXDPFLTCAV-GDBMZVCRSA-N 2 0 334.468 1.021 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000333701016 141361272 /nfs/dbraw/zinc/36/12/72/141361272.db2.gz QUYTXKNXMLGDET-OAGGEKHMSA-N 2 0 338.496 1.269 20 0 EDADRP CS(=O)(=O)CC1CCC([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)CC1 ZINC000340235517 142315201 /nfs/dbraw/zinc/31/52/01/142315201.db2.gz HCFBKFQXGQOXEJ-OFLPRAFFSA-N 2 0 346.537 1.416 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000340278800 142328438 /nfs/dbraw/zinc/32/84/38/142328438.db2.gz LUSVISSYWWPWBJ-INIZCTEOSA-N 2 0 333.476 1.327 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCO[C@@H](C)C1 ZINC000345594067 143109676 /nfs/dbraw/zinc/10/96/76/143109676.db2.gz LUFSJXKFCZWADS-GVDBMIGSSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C[C@H](C)O1 ZINC000345695878 143122505 /nfs/dbraw/zinc/12/25/05/143122505.db2.gz QGJNJXHISDJMOO-DFGXFYAUSA-N 2 0 325.497 1.900 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000346125431 143170204 /nfs/dbraw/zinc/17/02/04/143170204.db2.gz GCIGAFMTOKWEJR-QGZVFWFLSA-N 2 0 345.491 1.146 20 0 EDADRP [NH3+][C@H]1CCC[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000346280561 143186505 /nfs/dbraw/zinc/18/65/05/143186505.db2.gz JJSLVVIGZXZAJS-IRXDYDNUSA-N 3 0 345.491 1.227 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H](O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000346601985 143221039 /nfs/dbraw/zinc/22/10/39/143221039.db2.gz HXVXRHUXZJHTGC-KSZLIROESA-N 2 0 327.513 1.170 20 0 EDADRP C[NH2+]CCC1CC[NH+](Cc2cnc(N3CCN(C)CC3)nc2)CC1 ZINC000346686605 143231862 /nfs/dbraw/zinc/23/18/62/143231862.db2.gz ROYYXLVGUVPUGB-UHFFFAOYSA-N 2 0 332.496 1.050 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)C2(C[NH+](C)C)CCCCC2)[N@H+](C)C1 ZINC000346700961 143234288 /nfs/dbraw/zinc/23/42/88/143234288.db2.gz JBFNEWMVTSBBTC-HZPDHXFCSA-N 2 0 325.497 1.676 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2ccccc2OCC2CC2)C1 ZINC000347019994 143272331 /nfs/dbraw/zinc/27/23/31/143272331.db2.gz MOZIATHDTPKFEN-KRWDZBQOSA-N 2 0 331.460 1.762 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1)N1CC[NH2+]CC1 ZINC000347032189 143274054 /nfs/dbraw/zinc/27/40/54/143274054.db2.gz ZCCNFJCTSXJYLH-MRXNPFEDSA-N 2 0 327.432 1.207 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000347244705 143299543 /nfs/dbraw/zinc/29/95/43/143299543.db2.gz ZOCBSOUWRCMAQK-UHFFFAOYSA-N 2 0 338.496 1.226 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+][C@@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)C1 ZINC000347273446 143302652 /nfs/dbraw/zinc/30/26/52/143302652.db2.gz QWLGSTIFWWDZCB-YTQUADARSA-N 2 0 346.519 1.205 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCO1 ZINC000416844788 304351458 /nfs/dbraw/zinc/35/14/58/304351458.db2.gz QMCJQBBJLSGSET-ZIAGYGMSSA-N 2 0 338.477 1.254 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000416846837 304351617 /nfs/dbraw/zinc/35/16/17/304351617.db2.gz UQDJZNNAWPFWCH-PKOBYXMFSA-N 2 0 346.475 1.329 20 0 EDADRP CCCN(CC[NH+]1CCCC1)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000352884970 149202535 /nfs/dbraw/zinc/20/25/35/149202535.db2.gz CFEATOFZWIKGER-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NC(C)(C)CC[NH+]2CCN(C)CC2)CCC[N@@H+]1C ZINC000353211726 149326829 /nfs/dbraw/zinc/32/68/29/149326829.db2.gz UKZHETVNYKEUSZ-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000416960157 304355625 /nfs/dbraw/zinc/35/56/25/304355625.db2.gz ZNDNZWBEBPHGHZ-LVQVYYBASA-N 2 0 326.485 1.397 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000416968025 304356977 /nfs/dbraw/zinc/35/69/77/304356977.db2.gz ICJLWHXLWJWUEX-SFHVURJKSA-N 2 0 347.507 1.230 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000416971243 304357832 /nfs/dbraw/zinc/35/78/32/304357832.db2.gz PFAUURBUFYOMIB-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000369952707 155250730 /nfs/dbraw/zinc/25/07/30/155250730.db2.gz URJRQUPJYXEFHR-UHFFFAOYSA-N 2 0 330.476 1.846 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000416978053 304359688 /nfs/dbraw/zinc/35/96/88/304359688.db2.gz QQJWUTXJZPUSCL-GOSISDBHSA-N 2 0 330.476 1.996 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416982278 304360989 /nfs/dbraw/zinc/36/09/89/304360989.db2.gz VZXYYKALVOWINT-QAPCUYQASA-N 2 0 345.491 1.957 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)C1 ZINC000417028940 304362075 /nfs/dbraw/zinc/36/20/75/304362075.db2.gz CCQGITRMDDLUNK-MHORFTMASA-N 2 0 336.524 1.995 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[NH+](C)CC[C@@H]2C)C[C@H](C)O1 ZINC000355483092 150286750 /nfs/dbraw/zinc/28/67/50/150286750.db2.gz RILHIUAEJYPSTL-HRCADAONSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]1CC[N@H+](C)CCN1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355510578 150298247 /nfs/dbraw/zinc/29/82/47/150298247.db2.gz QJKLVFUCBOVWKJ-FUHWJXTLSA-N 2 0 330.476 1.997 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000417042330 304365223 /nfs/dbraw/zinc/36/52/23/304365223.db2.gz NRYASKMJZVBZEO-HZPDHXFCSA-N 2 0 333.480 1.104 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000417046609 304366165 /nfs/dbraw/zinc/36/61/65/304366165.db2.gz ZTDDAKXBEMBEHZ-BZUAXINKSA-N 2 0 326.485 1.032 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000417047375 304366459 /nfs/dbraw/zinc/36/64/59/304366459.db2.gz QJDFXFTYOHMXDY-HZPDHXFCSA-N 2 0 326.485 1.176 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)NCC[NH3+])CC2)c1 ZINC000417055416 304367209 /nfs/dbraw/zinc/36/72/09/304367209.db2.gz XDAYIFCIFGEBIO-UHFFFAOYSA-N 2 0 333.480 1.155 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])ccc1OCC[NH+](C)C ZINC000261643610 286221731 /nfs/dbraw/zinc/22/17/31/286221731.db2.gz CVRTUGPVSUJTDV-HZPDHXFCSA-N 2 0 349.475 1.627 20 0 EDADRP COCC1(CNC(=O)C2([NH+](C)C)Cc3ccccc3C2)CC[NH2+]CC1 ZINC000375070644 292235989 /nfs/dbraw/zinc/23/59/89/292235989.db2.gz NZQKQCYRPWAMFE-UHFFFAOYSA-N 2 0 345.487 1.218 20 0 EDADRP O=C1[C@H]([N@@H+]2CC[C@@H](CN3CCOCC3)C2)CCCN1c1ccccc1 ZINC000357779472 151149185 /nfs/dbraw/zinc/14/91/85/151149185.db2.gz JXDDNXSLQSLKTQ-PKOBYXMFSA-N 2 0 343.471 1.836 20 0 EDADRP CC[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000358048774 151247700 /nfs/dbraw/zinc/24/77/00/151247700.db2.gz QJCZHRVXOIBEGK-MSOLQXFVSA-N 2 0 333.476 1.883 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)s1 ZINC000358327146 151338262 /nfs/dbraw/zinc/33/82/62/151338262.db2.gz IARBZYMYYANOIB-YPMHNXCESA-N 2 0 331.507 1.265 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH+]2CCCCC[C@H]2C)C1 ZINC000358409824 151366039 /nfs/dbraw/zinc/36/60/39/151366039.db2.gz ITQFKXYNOZQUDU-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)C1 ZINC000360694136 152155734 /nfs/dbraw/zinc/15/57/34/152155734.db2.gz LIYPXIPFMSSQLG-HNNXBMFYSA-N 2 0 342.553 1.797 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000360743694 152180571 /nfs/dbraw/zinc/18/05/71/152180571.db2.gz FYCHPTGPIJPVSQ-YCPHGPKFSA-N 2 0 328.526 1.548 20 0 EDADRP C[C@H]([NH2+]CCN1CCOC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000361108372 152308052 /nfs/dbraw/zinc/30/80/52/152308052.db2.gz CCCFCCMRWHJGME-SJORKVTESA-N 2 0 335.492 1.998 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2C(F)F)CC1 ZINC000361182206 152328033 /nfs/dbraw/zinc/32/80/33/152328033.db2.gz XCCYSCMQKREGEI-GFCCVEGCSA-N 2 0 330.423 1.882 20 0 EDADRP CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000361362913 152372476 /nfs/dbraw/zinc/37/24/76/152372476.db2.gz WLSQSWHBXYOXDJ-QFBILLFUSA-N 2 0 345.487 1.876 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417154004 304378411 /nfs/dbraw/zinc/37/84/11/304378411.db2.gz PSDXGJKOAXKZBI-QGZVFWFLSA-N 2 0 347.507 1.625 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000362564481 152745346 /nfs/dbraw/zinc/74/53/46/152745346.db2.gz LCOYQBNKMCVNCL-CABCVRRESA-N 2 0 333.480 1.871 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948056 153105062 /nfs/dbraw/zinc/10/50/62/153105062.db2.gz PWCFGXAMPPCDNR-HOCLYGCPSA-N 2 0 330.432 1.038 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H]3CCC[NH2+]CC3)cc2)CC1 ZINC000364160129 153159263 /nfs/dbraw/zinc/15/92/63/153159263.db2.gz IXWBORNAHLTGIY-QGZVFWFLSA-N 2 0 330.476 1.700 20 0 EDADRP [NH3+]Cc1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)co1 ZINC000364194180 153169428 /nfs/dbraw/zinc/16/94/28/153169428.db2.gz GXTCFEOBTUDPOI-BBRMVZONSA-N 2 0 335.354 1.892 20 0 EDADRP [NH2+]=C(NCCCN1CCOCC1)N[C@H]1C[C@@H](CO)c2ccccc21 ZINC000364279150 153194279 /nfs/dbraw/zinc/19/42/79/153194279.db2.gz GFODYZMCKIQBHX-YOEHRIQHSA-N 2 0 332.448 1.044 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000417226278 304385940 /nfs/dbraw/zinc/38/59/40/304385940.db2.gz ZKMRBOCVQZLGNK-NRSFXHEJSA-N 2 0 328.460 1.683 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccccc2)[C@@H](C[NH3+])C1 ZINC000417234162 304386758 /nfs/dbraw/zinc/38/67/58/304386758.db2.gz UMHRIRFMQRCYJF-SJORKVTESA-N 2 0 334.464 1.266 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000417248258 304387934 /nfs/dbraw/zinc/38/79/34/304387934.db2.gz BHJWADLKUSZJEU-UIBIWLFHSA-N 2 0 340.512 1.421 20 0 EDADRP COC(=O)[C@@H](CC(C)C)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000367159300 154026467 /nfs/dbraw/zinc/02/64/67/154026467.db2.gz WCZHOFGITAQTNU-QGZVFWFLSA-N 2 0 336.480 1.867 20 0 EDADRP O=C(NCc1cnc2n1CCCC2)[C@@H]1COCCN1C1CCCC1 ZINC000367649753 154212912 /nfs/dbraw/zinc/21/29/12/154212912.db2.gz XCYAHVVOFWVQOQ-INIZCTEOSA-N 2 0 332.448 1.479 20 0 EDADRP O=C(C[C@@H]1COCC[NH2+]1)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000367654347 154215962 /nfs/dbraw/zinc/21/59/62/154215962.db2.gz VOVZIMYRKDZRHV-LJQANCHMSA-N 2 0 345.487 1.436 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417357200 304394420 /nfs/dbraw/zinc/39/44/20/304394420.db2.gz GHPBDJSNUBVLJD-INIZCTEOSA-N 2 0 348.491 1.768 20 0 EDADRP CCN1CCN(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)CC1 ZINC000369421639 155024422 /nfs/dbraw/zinc/02/44/22/155024422.db2.gz CEAXXRMBWHXVIF-DOTOQJQBSA-N 2 0 348.495 1.150 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@@H+](C2CCOCC2)CC1 ZINC000369529633 155074314 /nfs/dbraw/zinc/07/43/14/155074314.db2.gz DHPYOQDQWKYFKQ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000574861121 306658045 /nfs/dbraw/zinc/65/80/45/306658045.db2.gz NJIXCBMRQSEQGE-IRXDYDNUSA-N 2 0 334.464 1.275 20 0 EDADRP C[C@H](C[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)CN1CCOCC1 ZINC000372045925 156223307 /nfs/dbraw/zinc/22/33/07/156223307.db2.gz ICQRMNLYLIBUQH-FCGDIQPGSA-N 2 0 339.524 1.434 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000364218612 292351202 /nfs/dbraw/zinc/35/12/02/292351202.db2.gz HWGDUFOIOKFJMG-UHFFFAOYSA-N 2 0 325.497 1.857 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000373877979 157045374 /nfs/dbraw/zinc/04/53/74/157045374.db2.gz JTHKXSNIVSCYLJ-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP CN1CCO[C@H](C(=O)NC[C@@H]2CSCCN2Cc2ccccc2)C1 ZINC000373879826 157045621 /nfs/dbraw/zinc/04/56/21/157045621.db2.gz CSXPCIPHGOMCOX-SJORKVTESA-N 2 0 349.500 1.051 20 0 EDADRP COCCSCCC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000373916215 157062348 /nfs/dbraw/zinc/06/23/48/157062348.db2.gz CFKZMXAGWROTRE-INIZCTEOSA-N 2 0 329.554 1.856 20 0 EDADRP COCCCNC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374299357 157232597 /nfs/dbraw/zinc/23/25/97/157232597.db2.gz YBMZYPXBAOXDKB-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccn2)CC1 ZINC000374595847 157340891 /nfs/dbraw/zinc/34/08/91/157340891.db2.gz QBIKLAQLKITJEY-BBWFWOEESA-N 2 0 343.475 1.033 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000378123578 158085373 /nfs/dbraw/zinc/08/53/73/158085373.db2.gz ZLVZADDVLKMCIW-SJLPKXTDSA-N 2 0 347.507 1.828 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000378209448 158109761 /nfs/dbraw/zinc/10/97/61/158109761.db2.gz ZADCADOJPSFHJT-APIJFGDWSA-N 2 0 329.510 1.072 20 0 EDADRP CCC[C@H](C(=O)N[C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)[NH+](C)C ZINC000378322078 158140038 /nfs/dbraw/zinc/14/00/38/158140038.db2.gz ZWIIVTNYXKESQM-MWDXBVQZSA-N 2 0 325.497 1.722 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N(C)C[C@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000347519656 161785329 /nfs/dbraw/zinc/78/53/29/161785329.db2.gz QSUKPVIDAKBSQX-CVEARBPZSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC(=O)NCC(F)(F)F ZINC000364459074 162329278 /nfs/dbraw/zinc/32/92/78/162329278.db2.gz QHTSLDPFJOSZBW-JHJVBQTASA-N 2 0 337.386 1.144 20 0 EDADRP C[NH2+]CC1CCN(C(=O)NCc2ccc(CC[NH+](C)C)cc2)CC1 ZINC000418062832 304453135 /nfs/dbraw/zinc/45/31/35/304453135.db2.gz ZVYQJOGJSQNXIS-UHFFFAOYSA-N 2 0 332.492 1.932 20 0 EDADRP CCn1cncc1C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000418075103 304455257 /nfs/dbraw/zinc/45/52/57/304455257.db2.gz YSWRITHXALNSJV-UHFFFAOYSA-N 2 0 349.523 1.963 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC2CCN(CC[NH+](C)C)CC2)C1 ZINC000073618783 287262304 /nfs/dbraw/zinc/26/23/04/287262304.db2.gz OWBWQUUBAVYDGF-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)C1 ZINC000073660330 287263002 /nfs/dbraw/zinc/26/30/02/287263002.db2.gz TVLGQQAEKFTYDF-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP Cc1cccc(NC(=O)CN2CC[NH+](CC3CC[NH2+]CC3)CC2)c1C ZINC000178977949 292564891 /nfs/dbraw/zinc/56/48/91/292564891.db2.gz VQUYKLIZHCEANO-UHFFFAOYSA-N 2 0 344.503 1.859 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCCC[NH2+]C3CC3)CC2)c1 ZINC000418296851 304476579 /nfs/dbraw/zinc/47/65/79/304476579.db2.gz GZRJYXAFTPUWES-UHFFFAOYSA-N 2 0 333.436 1.064 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418386741 304489081 /nfs/dbraw/zinc/48/90/81/304489081.db2.gz LUSZFZBMWJFDLA-ZDUSSCGKSA-N 2 0 342.434 1.894 20 0 EDADRP CCN1CCN(C(=O)NCc2ccc(Cn3ccnc3)cc2)CC1 ZINC000193975621 273000212 /nfs/dbraw/zinc/00/02/12/273000212.db2.gz DRYVJBZBTYUXCW-UHFFFAOYSA-N 2 0 327.432 1.779 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)C[NH2+]C[C@H]3CCCO3)CC2)nc1 ZINC000237619206 273011247 /nfs/dbraw/zinc/01/12/47/273011247.db2.gz DOIGPESHSINXTJ-MRXNPFEDSA-N 2 0 332.448 1.244 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[NH+](C2CCC2)CC1)c1ccccc1 ZINC000274648302 268175910 /nfs/dbraw/zinc/17/59/10/268175910.db2.gz MRTHHSPGYHRPDQ-IBGZPJMESA-N 2 0 344.503 1.576 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000273224611 273033839 /nfs/dbraw/zinc/03/38/39/273033839.db2.gz NRFUUTIIRWKABL-OAHLLOKOSA-N 2 0 347.507 1.616 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283961096 274027325 /nfs/dbraw/zinc/02/73/25/274027325.db2.gz JZJHKMOLUBVXSD-DOTOQJQBSA-N 2 0 348.491 1.252 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000361622349 276361975 /nfs/dbraw/zinc/36/19/75/276361975.db2.gz KKIZVOXGXJAIJF-OWCLPIDISA-N 2 0 325.522 1.899 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)C[NH2+]CC2CC2)[C@H](c2ccccc2)C1 ZINC000370768256 277106242 /nfs/dbraw/zinc/10/62/42/277106242.db2.gz YSJWIQIPFBYMMN-SFHVURJKSA-N 2 0 330.476 1.091 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC[N@@H+]1CCCC1(C)C ZINC000496818034 277198697 /nfs/dbraw/zinc/19/86/97/277198697.db2.gz HOBOVXUWCYXOAP-UHFFFAOYSA-N 2 0 327.473 1.499 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](C)[NH+]1CCCC[C@@H]1C ZINC000349645579 277221018 /nfs/dbraw/zinc/22/10/18/277221018.db2.gz OJJKZFNYWAGTOK-YESZJQIVSA-N 2 0 340.512 1.659 20 0 EDADRP CNC(=O)CCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000271473500 277225311 /nfs/dbraw/zinc/22/53/11/277225311.db2.gz LBRNHGVYOLNZOC-UHFFFAOYSA-N 2 0 338.883 1.708 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000246204238 277273416 /nfs/dbraw/zinc/27/34/16/277273416.db2.gz FFGVONJAYNCHDP-AEFFLSMTSA-N 2 0 332.492 1.337 20 0 EDADRP C[NH2+][C@H](C(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1)c1cnn(C)c1 ZINC000375826450 277296611 /nfs/dbraw/zinc/29/66/11/277296611.db2.gz VOBJDNHNIFEXKI-MSOLQXFVSA-N 2 0 341.459 1.414 20 0 EDADRP CC1(C)CN(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC[NH2+]1 ZINC000333370214 278301229 /nfs/dbraw/zinc/30/12/29/278301229.db2.gz MIGSWNZDYIRZDJ-HOTGVXAUSA-N 2 0 338.496 1.148 20 0 EDADRP CC(C)(C)OC(=O)N1CCO[C@H](C[NH2+]C2CCC(C[NH3+])CC2)C1 ZINC000495934942 278403893 /nfs/dbraw/zinc/40/38/93/278403893.db2.gz MWSUBAGFLWSGGW-YMAMQOFZSA-N 2 0 327.469 1.729 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCC[NH+]1CCCCCC1 ZINC000496526601 278430099 /nfs/dbraw/zinc/43/00/99/278430099.db2.gz DETPAWPFBVORPG-UHFFFAOYSA-N 2 0 327.473 1.501 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)C[C@@H](C)O1 ZINC000367627973 278746926 /nfs/dbraw/zinc/74/69/26/278746926.db2.gz HBCHCMCVYKVQPV-VXIBKDFQSA-N 2 0 337.508 1.772 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000354492830 278941571 /nfs/dbraw/zinc/94/15/71/278941571.db2.gz JRGAQSCRPOYBMH-RDJZCZTQSA-N 2 0 327.513 1.704 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000362969404 288089997 /nfs/dbraw/zinc/08/99/97/288089997.db2.gz LYCUIQTUQCYASY-CJNGLKHVSA-N 2 0 332.448 1.691 20 0 EDADRP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000378324553 279077057 /nfs/dbraw/zinc/07/70/57/279077057.db2.gz WQYKTMCOIWOPRM-KRWDZBQOSA-N 2 0 338.540 1.734 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[NH+]2CCC(C[NH+](CC)CC)CC2)CC1 ZINC000343579609 279092656 /nfs/dbraw/zinc/09/26/56/279092656.db2.gz LZKRVZQDNBUPQZ-QGZVFWFLSA-N 2 0 338.540 1.593 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112212972 279142852 /nfs/dbraw/zinc/14/28/52/279142852.db2.gz KBBNEUDKHUAEPV-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333769649 279190665 /nfs/dbraw/zinc/19/06/65/279190665.db2.gz FDMDSRDSRWPUFO-KBAYOESNSA-N 2 0 337.508 1.996 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N1CCC(OC)CC1 ZINC000349384250 279329103 /nfs/dbraw/zinc/32/91/03/279329103.db2.gz WGAHSKXCVPKEOI-INIZCTEOSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CCCO1 ZINC000418123506 288163042 /nfs/dbraw/zinc/16/30/42/288163042.db2.gz ZCSWUGHBULKXAW-PMPSAXMXSA-N 2 0 326.485 1.304 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@H]([NH+]3CCCCC3)C2)C1(C)C ZINC000363748766 279887032 /nfs/dbraw/zinc/88/70/32/279887032.db2.gz VWZGQJPSKXITOK-FCEWJHQRSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NC(=O)CCC1CC[NH2+]CC1 ZINC000361083380 288205392 /nfs/dbraw/zinc/20/53/92/288205392.db2.gz GWLBRFGRCRQFRM-KBAYOESNSA-N 2 0 337.508 1.772 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000105105798 280246029 /nfs/dbraw/zinc/24/60/29/280246029.db2.gz IQGWZKKOYCFCJP-WBVHZDCISA-N 2 0 339.528 1.040 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000333862112 280282917 /nfs/dbraw/zinc/28/29/17/280282917.db2.gz QDJCZFUOHABYNF-HUUCEWRRSA-N 2 0 334.464 1.315 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246231222 280322220 /nfs/dbraw/zinc/32/22/20/280322220.db2.gz FDOVOUDNOXGUNE-JQHSSLGASA-N 2 0 337.508 1.722 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)N[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372573 288309408 /nfs/dbraw/zinc/30/94/08/288309408.db2.gz KBVUWCAHADJQTL-RYRKJORJSA-N 2 0 349.523 1.033 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000357606154 282007879 /nfs/dbraw/zinc/00/78/79/282007879.db2.gz LHPCJWVSJSWFLJ-HOTGVXAUSA-N 2 0 338.540 1.780 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCC1 ZINC000375202401 282070866 /nfs/dbraw/zinc/07/08/66/282070866.db2.gz QKRCENQLPQQPIS-CVEARBPZSA-N 2 0 338.496 1.271 20 0 EDADRP COCCOCc1ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000289161151 288642363 /nfs/dbraw/zinc/64/23/63/288642363.db2.gz AIMQPZXVELZJMU-SFHVURJKSA-N 2 0 349.519 1.823 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000358884732 289131396 /nfs/dbraw/zinc/13/13/96/289131396.db2.gz HXUTXKLGVMRZIJ-IAGOWNOFSA-N 2 0 341.544 1.384 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)N3CCc4ccccc4C3)C2)C1 ZINC000292053907 289250214 /nfs/dbraw/zinc/25/02/14/289250214.db2.gz BUJMRYOADUKYKQ-HXUWFJFHSA-N 2 0 327.472 1.989 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000292210544 289289985 /nfs/dbraw/zinc/28/99/85/289289985.db2.gz YZPBYGIZLSPEFD-MRXNPFEDSA-N 2 0 333.480 1.227 20 0 EDADRP CN(C[C@H](O)C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)C(=O)OC(C)(C)C ZINC000496478522 289380242 /nfs/dbraw/zinc/38/02/42/289380242.db2.gz YDDZHRPVDNLBIL-SOUVJXGZSA-N 2 0 329.485 1.677 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)[C@H](C[NH3+])OC)CC[N@@H+]2C2CC2)c1 ZINC000423837872 295321614 /nfs/dbraw/zinc/32/16/14/295321614.db2.gz XHFUETUUOYDSKW-IXDOHACOSA-N 2 0 333.432 1.063 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H]2CC[NH2+]C2)c1 ZINC000418512486 304506397 /nfs/dbraw/zinc/50/63/97/304506397.db2.gz FPUIEDQAAANYOE-INIZCTEOSA-N 2 0 334.464 1.378 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377032476 297263109 /nfs/dbraw/zinc/26/31/09/297263109.db2.gz RBKXUFWLKSNGPT-GUDVDZBRSA-N 2 0 335.540 1.172 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000419117547 304566455 /nfs/dbraw/zinc/56/64/55/304566455.db2.gz HLXWIYLUWVTGNF-CVEARBPZSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000419639157 447311058 /nfs/dbraw/zinc/31/10/58/447311058.db2.gz CDGSLKCRDNPOHW-GOEBONIOSA-N 2 0 346.475 1.100 20 0 EDADRP O=C1[C@@H](N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000420295026 304744542 /nfs/dbraw/zinc/74/45/42/304744542.db2.gz BUZABHWKGRTLNI-MJGOQNOKSA-N 2 0 342.487 1.409 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372855765 447319107 /nfs/dbraw/zinc/31/91/07/447319107.db2.gz ILJSAISYENPRGJ-GOSISDBHSA-N 2 0 348.466 1.106 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CC[NH2+]C[C@@](C)(F)C2)CC1 ZINC000414766641 447324680 /nfs/dbraw/zinc/32/46/80/447324680.db2.gz IBSGILWAIUTUSY-LJQANCHMSA-N 2 0 334.483 1.962 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC2CCOCC2)CC1 ZINC000172983887 302949855 /nfs/dbraw/zinc/94/98/55/302949855.db2.gz RJLMMNAOOSGNKH-UHFFFAOYSA-N 2 0 339.524 1.829 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2ccc3c(c2)NC(=O)CO3)CC1 ZINC000293663948 303000238 /nfs/dbraw/zinc/00/02/38/303000238.db2.gz PTQWDOJXJHKEMF-HNNXBMFYSA-N 2 0 346.475 1.381 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NC[C@]2([NH+](C)C)CCSC2)[C@H](C)C1 ZINC000448521340 447327064 /nfs/dbraw/zinc/32/70/64/447327064.db2.gz OCVOHDCGPJRZFO-HLLBOEOZSA-N 2 0 342.553 1.795 20 0 EDADRP CC[C@@H](CO)[N@H+](C)CC(=O)N1CCC[NH+](Cc2ccccc2C)CC1 ZINC000295721606 303257615 /nfs/dbraw/zinc/25/76/15/303257615.db2.gz OBWHCSOSCOKCIA-IBGZPJMESA-N 2 0 347.503 1.732 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCOC)C2)[C@@H](C)C1 ZINC000448524688 447327727 /nfs/dbraw/zinc/32/77/27/447327727.db2.gz KITODJSRFCIKGK-JYJNAYRXSA-N 2 0 326.485 1.079 20 0 EDADRP COCCOC[C@H](O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297555378 303412211 /nfs/dbraw/zinc/41/22/11/303412211.db2.gz GUDXXXSNLKLIMS-MRXNPFEDSA-N 2 0 345.443 1.381 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1O ZINC000299456207 303620308 /nfs/dbraw/zinc/62/03/08/303620308.db2.gz ARMXKGYGXSTCLH-UHFFFAOYSA-N 2 0 340.427 1.729 20 0 EDADRP CCOc1cccc(C[NH2+]CCN2CC[NH2+]CC2)c1OC(F)F ZINC000414866571 447334243 /nfs/dbraw/zinc/33/42/43/447334243.db2.gz NEQKKMVTQRYWRL-UHFFFAOYSA-N 2 0 329.391 1.682 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422751898 304879990 /nfs/dbraw/zinc/87/99/90/304879990.db2.gz BVNNWUXKMPGABC-IUODEOHRSA-N 2 0 345.896 1.596 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000422917225 304880273 /nfs/dbraw/zinc/88/02/73/304880273.db2.gz FQISWUFAHZSPOV-DZGCQCFKSA-N 2 0 325.840 1.789 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](N1CCOCC1)C(F)(F)F ZINC000423114408 304887182 /nfs/dbraw/zinc/88/71/82/304887182.db2.gz VOSXKMUJBLBEOC-XHDPSFHLSA-N 2 0 346.397 1.762 20 0 EDADRP Cc1c([C@H](C)[NH2+]CCN2CC[NH2+]CC2)nnn1-c1ccc(Cl)cc1 ZINC000423204168 304889257 /nfs/dbraw/zinc/88/92/57/304889257.db2.gz NWLULZFHLZOHIY-ZDUSSCGKSA-N 2 0 348.882 1.785 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)N1CC[NH2+]CC1 ZINC000423400973 304894643 /nfs/dbraw/zinc/89/46/43/304894643.db2.gz XMLOEGLYGNYETB-BARDWOONSA-N 2 0 347.425 1.760 20 0 EDADRP CC[NH2+]CC1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000430546198 305056026 /nfs/dbraw/zinc/05/60/26/305056026.db2.gz RQCARZWBWNIWRC-UHFFFAOYSA-N 2 0 325.478 1.286 20 0 EDADRP C[C@@H](C(=O)NCCc1c[nH]c2ccccc12)[NH+]1CCC(C[NH3+])CC1 ZINC000430605315 305058446 /nfs/dbraw/zinc/05/84/46/305058446.db2.gz QNYYYXLTSSZJQM-AWEZNQCLSA-N 2 0 328.460 1.886 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000430643919 305061077 /nfs/dbraw/zinc/06/10/77/305061077.db2.gz YDTKUPGSPYKNPI-IBGZPJMESA-N 2 0 344.503 1.712 20 0 EDADRP CC(C)(C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000430871667 305066525 /nfs/dbraw/zinc/06/65/25/305066525.db2.gz DZQVREVOEGXKDE-AWEZNQCLSA-N 2 0 332.448 1.307 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430878917 305066643 /nfs/dbraw/zinc/06/66/43/305066643.db2.gz QGVFMULBFCDWGD-LSDHHAIUSA-N 2 0 332.448 1.450 20 0 EDADRP Cc1cccc(OCCCNC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430962856 305071354 /nfs/dbraw/zinc/07/13/54/305071354.db2.gz IGRBMIJEKFPRRV-INIZCTEOSA-N 2 0 333.476 1.939 20 0 EDADRP CN(CCCOc1ccccc1)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431030162 305073079 /nfs/dbraw/zinc/07/30/79/305073079.db2.gz JWVOIPHLRZQOAR-UHFFFAOYSA-N 2 0 345.487 1.989 20 0 EDADRP COc1ccccc1CNC(=O)[C@H](C)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431037731 305073366 /nfs/dbraw/zinc/07/33/66/305073366.db2.gz PKLDXJCBUKARLQ-HNNXBMFYSA-N 2 0 331.460 1.775 20 0 EDADRP CCCN(CC(=O)Nc1ccc2c(c1)OCCO2)C1CC[NH2+]CC1 ZINC000431067972 305074203 /nfs/dbraw/zinc/07/42/03/305074203.db2.gz AOEKCTJDEICLJT-UHFFFAOYSA-N 2 0 333.432 1.860 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCc2cc(F)cc(F)c2)CC1 ZINC000433133284 305101361 /nfs/dbraw/zinc/10/13/61/305101361.db2.gz DPKACVGXLNAKPW-UHFFFAOYSA-N 2 0 325.403 1.827 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433338602 305106094 /nfs/dbraw/zinc/10/60/94/305106094.db2.gz WSCVWFAAZGQXBE-HZPDHXFCSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433358013 305106407 /nfs/dbraw/zinc/10/64/07/305106407.db2.gz XJAMPQGMHSJDHB-AEFFLSMTSA-N 2 0 332.492 1.432 20 0 EDADRP C[C@H](CNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)[N@@H+]1CCCC[C@H]1C ZINC000433387914 305107558 /nfs/dbraw/zinc/10/75/58/305107558.db2.gz SHNHSHZXGDTRDD-BZUAXINKSA-N 2 0 333.480 1.800 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@H]1N(C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433862641 305114103 /nfs/dbraw/zinc/11/41/03/305114103.db2.gz MRBMAAMEULBYQZ-WMLDXEAASA-N 2 0 339.505 1.709 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH2+][C@@H](C)[C@@H]3C)cc2)CC1 ZINC000434697873 305128046 /nfs/dbraw/zinc/12/80/46/305128046.db2.gz BMMFPGADVVSOFA-HOTGVXAUSA-N 2 0 330.476 1.651 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000436310960 305155773 /nfs/dbraw/zinc/15/57/73/305155773.db2.gz YEEGAJJWSHWMIV-CRAIPNDOSA-N 2 0 337.533 1.854 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH+]1CCN(C)CC1 ZINC000438549618 305187072 /nfs/dbraw/zinc/18/70/72/305187072.db2.gz FDZYOOKSLKUPTB-WMZOPIPTSA-N 2 0 336.524 1.393 20 0 EDADRP [NH3+][C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC[NH+]1CCC(O)CC1 ZINC000438888739 305190526 /nfs/dbraw/zinc/19/05/26/305190526.db2.gz DSOOIGOZDQEQNA-KRWDZBQOSA-N 2 0 344.459 1.001 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC000440980978 305215570 /nfs/dbraw/zinc/21/55/70/305215570.db2.gz NMFAUSNBWAHYNZ-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)C[C@@H](C)C2)C1 ZINC000443639786 305240378 /nfs/dbraw/zinc/24/03/78/305240378.db2.gz LOVCLITXJREDGM-RCCFBDPRSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000443686421 305240938 /nfs/dbraw/zinc/24/09/38/305240938.db2.gz XBHHFQYYJMVCPW-YYIAUSFCSA-N 2 0 325.497 1.865 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)N1CCC([NH+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000444375912 305247514 /nfs/dbraw/zinc/24/75/14/305247514.db2.gz QWWZBMSSNNNSJX-QFBILLFUSA-N 2 0 347.503 1.983 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000414897884 447349205 /nfs/dbraw/zinc/34/92/05/447349205.db2.gz ADDVQXWJPDGIRL-UHFFFAOYSA-N 2 0 348.491 1.970 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NCC1([NH+](C)C)CCC1 ZINC000446621198 305268118 /nfs/dbraw/zinc/26/81/18/305268118.db2.gz VUAWVUKXZHBNIE-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)COC1CCC([NH3+])CC1 ZINC000449107897 305306952 /nfs/dbraw/zinc/30/69/52/305306952.db2.gz OUJRLJLBFBYCND-UHFFFAOYSA-N 2 0 325.497 1.996 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1ccc2c(c1)NCC2 ZINC000449132594 305307332 /nfs/dbraw/zinc/30/73/32/305307332.db2.gz AWIOVLJAMQWRGT-UHFFFAOYSA-N 2 0 346.519 1.929 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000452169535 305385530 /nfs/dbraw/zinc/38/55/30/305385530.db2.gz GEINFWOSYRWYBA-QAPCUYQASA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]C2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663818 305673797 /nfs/dbraw/zinc/67/37/97/305673797.db2.gz PWUFWVHUNLUUMA-KBPBESRZSA-N 2 0 327.469 1.336 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1 ZINC000516469822 305737306 /nfs/dbraw/zinc/73/73/06/305737306.db2.gz UFCQKCOJLAPRCQ-QAPCUYQASA-N 2 0 342.443 1.706 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[C@@H]2CC[NH2+]C2)Cc2ccccc2C1 ZINC000519118936 305766635 /nfs/dbraw/zinc/76/66/35/305766635.db2.gz QROMPVXTFQGUTM-HNNXBMFYSA-N 2 0 330.476 1.384 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000414937084 447363812 /nfs/dbraw/zinc/36/38/12/447363812.db2.gz HKYIUGXGGZEEHG-PBHICJAKSA-N 2 0 346.475 1.676 20 0 EDADRP CC(C)CN(C)S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000538675546 306031766 /nfs/dbraw/zinc/03/17/66/306031766.db2.gz OZJKKQFREPYDAC-UHFFFAOYSA-N 2 0 336.546 1.024 20 0 EDADRP COC[C@@](C)(O)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000539953356 306038581 /nfs/dbraw/zinc/03/85/81/306038581.db2.gz XOMKXKLXYRIZMI-KRWDZBQOSA-N 2 0 341.883 1.579 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414944404 447367630 /nfs/dbraw/zinc/36/76/30/447367630.db2.gz OAFXZLTYQUZMIM-CXAGYDPISA-N 2 0 344.459 1.116 20 0 EDADRP C[N@H+](CCC(=O)NC1(CCO)CC[NH+](C)CC1)C1CCCCC1 ZINC000548392314 306126539 /nfs/dbraw/zinc/12/65/39/306126539.db2.gz XNCZGKIISFJASX-UHFFFAOYSA-N 2 0 325.497 1.604 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CCC[NH+](C)C)[NH+](C)C)cc1 ZINC000551642273 306159150 /nfs/dbraw/zinc/15/91/50/306159150.db2.gz VXDIMGXWNUMLKS-QGZVFWFLSA-N 2 0 348.491 1.124 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000414949070 447369685 /nfs/dbraw/zinc/36/96/85/447369685.db2.gz ZNQTVQWRCXPWIA-RHSMWYFYSA-N 2 0 346.475 1.676 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@@H]2C)c1 ZINC000414949392 447370851 /nfs/dbraw/zinc/37/08/51/447370851.db2.gz ZHRGXNPLZQODQX-WMLDXEAASA-N 2 0 346.475 1.580 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000414951759 447371267 /nfs/dbraw/zinc/37/12/67/447371267.db2.gz QBTHOXZNQYVSPU-GDBMZVCRSA-N 2 0 330.432 1.217 20 0 EDADRP CCCn1nc(C)c(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c1C ZINC000414964069 447377345 /nfs/dbraw/zinc/37/73/45/447377345.db2.gz BWXOVVUAQHUFLY-HNNXBMFYSA-N 2 0 347.429 1.836 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665237074 453618368 /nfs/dbraw/zinc/61/83/68/453618368.db2.gz ZMTUXUYDKVTAFT-ZJUUUORDSA-N 2 0 329.242 1.289 20 0 EDADRP CN(c1ccccc1CNC[C@H]1C[NH2+]CCN1C)C1CC[NH+](C)CC1 ZINC000414971229 447380273 /nfs/dbraw/zinc/38/02/73/447380273.db2.gz ICDFYIYZRRNFNT-LJQANCHMSA-N 3 0 345.535 1.210 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000414974061 447380425 /nfs/dbraw/zinc/38/04/25/447380425.db2.gz LSNZXKVMCUXHEH-CYBMUJFWSA-N 2 0 334.464 1.437 20 0 EDADRP Cc1cccc2ncc(C[NH2+]C[C@@H](N3CC[NH2+]CC3)C(F)(F)F)n21 ZINC000414986833 447385052 /nfs/dbraw/zinc/38/50/52/447385052.db2.gz OBVSKXCBFNKQLC-CQSZACIVSA-N 2 0 341.381 1.568 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC[C@@H]2CCC[N@H+](C)C2)CCSC1 ZINC000458497912 447389894 /nfs/dbraw/zinc/38/98/94/447389894.db2.gz HWQWKGDWYOABPF-GOEBONIOSA-N 2 0 328.526 1.455 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415113307 447390501 /nfs/dbraw/zinc/39/05/01/447390501.db2.gz DYFPPIODYUWFDD-CQSZACIVSA-N 2 0 332.448 1.465 20 0 EDADRP CN(C(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000419803528 447422351 /nfs/dbraw/zinc/42/23/51/447422351.db2.gz DZRHQJKQSNXUDY-IAGOWNOFSA-N 2 0 346.475 1.006 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)c1 ZINC000415425651 447426801 /nfs/dbraw/zinc/42/68/01/447426801.db2.gz LLTQGXGDIYOFTR-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)CCCCC1 ZINC000419814932 447428697 /nfs/dbraw/zinc/42/86/97/447428697.db2.gz KOZZVKBBDUGJND-UHFFFAOYSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@H](C[C@@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000494472702 447436810 /nfs/dbraw/zinc/43/68/10/447436810.db2.gz STZAYPUCDFUTSY-BZUAXINKSA-N 2 0 342.528 1.904 20 0 EDADRP C[NH+](C)CC1(CNC(=O)N[C@@H]2CCC[N@H+](CCCO)C2)CCCC1 ZINC000458646203 447438101 /nfs/dbraw/zinc/43/81/01/447438101.db2.gz GIOGKVIBOWENHR-MRXNPFEDSA-N 2 0 340.512 1.254 20 0 EDADRP C[N@H+](CCNC(=O)C1CC[NH+](CC(C)(C)O)CC1)Cc1ccccc1 ZINC000081156105 441236491 /nfs/dbraw/zinc/23/64/91/441236491.db2.gz KIVAKKZUHQCZJU-UHFFFAOYSA-N 2 0 347.503 1.718 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[N@H+](C)C2CCCC2)CC1 ZINC000105193090 441242014 /nfs/dbraw/zinc/24/20/14/441242014.db2.gz BVXNMJOECCTCBD-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)CCCC(=O)NCC(C)(C)[NH+](C)C ZINC000105593751 441260649 /nfs/dbraw/zinc/26/06/49/441260649.db2.gz PFPLVOVVLACIPP-UHFFFAOYSA-N 2 0 328.501 1.070 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000072985295 441283242 /nfs/dbraw/zinc/28/32/42/441283242.db2.gz QPRJTPBTIIOWII-UHFFFAOYSA-N 2 0 334.464 1.203 20 0 EDADRP CC[NH+](CC)CC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000063732530 441348199 /nfs/dbraw/zinc/34/81/99/441348199.db2.gz MEWGWRRERIMBCP-IBGZPJMESA-N 2 0 346.519 1.823 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[N@H+](C)C3CC3)cc2)CC1 ZINC000074229092 441411265 /nfs/dbraw/zinc/41/12/65/441411265.db2.gz GLPKWPCRZJZIFS-UHFFFAOYSA-N 2 0 330.476 1.653 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@@H]1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000085401764 441436731 /nfs/dbraw/zinc/43/67/31/441436731.db2.gz HDCAUGGPADITCC-IAGOWNOFSA-N 2 0 338.496 1.101 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000074616374 441450137 /nfs/dbraw/zinc/45/01/37/441450137.db2.gz PJCYQOIOSZWBPT-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NC[C@@H]3CCC[N@H+](C)C3)cc2)CC1 ZINC000108462312 441455572 /nfs/dbraw/zinc/45/55/72/441455572.db2.gz ITXPBDQCEDANKB-SFHVURJKSA-N 2 0 344.503 1.506 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000108549445 441462970 /nfs/dbraw/zinc/46/29/70/441462970.db2.gz FMVBNFILZOUNLP-MRXNPFEDSA-N 2 0 345.491 1.687 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000066873121 441578405 /nfs/dbraw/zinc/57/84/05/441578405.db2.gz XSQFCTNCRZBTSY-UHFFFAOYSA-N 2 0 345.487 1.981 20 0 EDADRP C[C@H]([NH2+][C@H](CO)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000090884949 441645843 /nfs/dbraw/zinc/64/58/43/441645843.db2.gz ZHQVSUVPWIOYKF-KBXCAEBGSA-N 2 0 332.448 1.745 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000136919806 441731996 /nfs/dbraw/zinc/73/19/96/441731996.db2.gz JBUMWNGKTPAUNJ-UHFFFAOYSA-N 2 0 348.491 1.872 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000068080433 441723712 /nfs/dbraw/zinc/72/37/12/441723712.db2.gz WRTFHXUGGZQHAB-IBGZPJMESA-N 2 0 347.503 1.983 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NCCc1nccn1Cc1ccccc1 ZINC000139504908 441819100 /nfs/dbraw/zinc/81/91/00/441819100.db2.gz PXSOEOAFAZEXJX-KRWDZBQOSA-N 2 0 341.459 1.867 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000121784655 441779703 /nfs/dbraw/zinc/77/97/03/441779703.db2.gz OZUZCURTEXFYSD-QFBILLFUSA-N 2 0 344.503 1.776 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CCC[NH+]2C)[C@H](C)C1 ZINC000115810212 441779793 /nfs/dbraw/zinc/77/97/93/441779793.db2.gz UGSRCLUPHMNLCF-IKGGRYGDSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2cc(F)ccc21 ZINC000077788409 441861131 /nfs/dbraw/zinc/86/11/31/441861131.db2.gz OCNIZFHCVBZHHV-QGZVFWFLSA-N 2 0 336.455 1.948 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCN1Cc2ccccc2C1 ZINC000077799277 441861815 /nfs/dbraw/zinc/86/18/15/441861815.db2.gz COKGUWZBOVJJOL-UHFFFAOYSA-N 2 0 347.507 1.137 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000173746302 441833358 /nfs/dbraw/zinc/83/33/58/441833358.db2.gz HEBPLLGRHFABIU-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@@H](CNC(=O)N1CCN(c2cc[nH+]cc2)CC1)C[NH+]1CCCC1 ZINC000123037764 441874111 /nfs/dbraw/zinc/87/41/11/441874111.db2.gz HJSXABYHZZAYOU-INIZCTEOSA-N 2 0 331.464 1.645 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NCC[N@H+]2CCC[C@H](C)C2)C[C@H](C)O1 ZINC000079093240 442018286 /nfs/dbraw/zinc/01/82/86/442018286.db2.gz KRMIKKVKHWKWSK-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474400 442095794 /nfs/dbraw/zinc/09/57/94/442095794.db2.gz IBBCTULQGRNQQG-IJEWVQPXSA-N 2 0 325.478 1.283 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000126138615 442083058 /nfs/dbraw/zinc/08/30/58/442083058.db2.gz QVMQEIVLEWRCOV-WBVHZDCISA-N 2 0 328.501 1.253 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000162792445 442122879 /nfs/dbraw/zinc/12/28/79/442122879.db2.gz IWZGTVVVADOEAQ-WDSOQIARSA-N 2 0 348.487 1.989 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000162797531 442123999 /nfs/dbraw/zinc/12/39/99/442123999.db2.gz PJHWFZPLWOHOIL-HBFSDRIKSA-N 2 0 348.487 1.989 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2C[C@H](O)C[NH2+]2)[NH+]2CCCCC2)cc1 ZINC000163517527 442171762 /nfs/dbraw/zinc/17/17/62/442171762.db2.gz QOBLAHAZBNJQPW-JQHSSLGASA-N 2 0 347.459 1.061 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1cccc(F)c1 ZINC000163945847 442186648 /nfs/dbraw/zinc/18/66/48/442186648.db2.gz GAFOQFZIQMSGPX-RDJZCZTQSA-N 2 0 346.406 1.533 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000164276598 442194488 /nfs/dbraw/zinc/19/44/88/442194488.db2.gz MCVDXUUEVKETMX-INIZCTEOSA-N 2 0 325.522 1.758 20 0 EDADRP CN(CC(=O)NCCOc1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152347890 442200497 /nfs/dbraw/zinc/20/04/97/442200497.db2.gz ZPOVPFNRDHEAOM-OAHLLOKOSA-N 2 0 337.439 1.594 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000165833369 442211696 /nfs/dbraw/zinc/21/16/96/442211696.db2.gz ZPGGDKTZKBSMOE-UHFFFAOYSA-N 2 0 336.484 1.445 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCN1CCN(CC(=O)NC2CCCCC2)CC1 ZINC000128246392 442255189 /nfs/dbraw/zinc/25/51/89/442255189.db2.gz APRPGVJQVJOISA-GOSISDBHSA-N 2 0 336.524 1.537 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000168093173 442222894 /nfs/dbraw/zinc/22/28/94/442222894.db2.gz LBKJVJYCGAOTNB-OALUTQOASA-N 2 0 345.487 1.690 20 0 EDADRP C[C@@H](CC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000169107393 442225990 /nfs/dbraw/zinc/22/59/90/442225990.db2.gz FKRLEFDUNWSMIA-JKSUJKDBSA-N 2 0 337.508 1.629 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC[NH2+]C(C)(C)C)c1 ZINC000127848045 442229133 /nfs/dbraw/zinc/22/91/33/442229133.db2.gz MDZUZAQAEHHACS-UHFFFAOYSA-N 2 0 348.491 1.971 20 0 EDADRP C[NH+](C)C1CCN(CCOCCN2CCC([NH+](C)C)CC2)CC1 ZINC000127952400 442236075 /nfs/dbraw/zinc/23/60/75/442236075.db2.gz LXWVORWVOBWEGQ-UHFFFAOYSA-N 4 0 326.529 1.055 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC[C@@H]3CCC[NH2+]C3)c2)CC1 ZINC000152741005 442241070 /nfs/dbraw/zinc/24/10/70/442241070.db2.gz FWDBMZYDKPHLRG-KRWDZBQOSA-N 2 0 344.503 1.554 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000129648772 442326518 /nfs/dbraw/zinc/32/65/18/442326518.db2.gz GSXQJOQDGBICLT-GDBMZVCRSA-N 2 0 342.447 1.801 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000130279620 442342260 /nfs/dbraw/zinc/34/22/60/442342260.db2.gz ZNBBMMBQXPYYMR-HNNXBMFYSA-N 2 0 346.475 1.696 20 0 EDADRP Cc1cccc([C@@H](CNC(=O)C[C@@H]2CC[NH2+]C2)N2CCOCC2)c1 ZINC000130420211 442346298 /nfs/dbraw/zinc/34/62/98/442346298.db2.gz PDMBAVRNFJDZHH-FUHWJXTLSA-N 2 0 331.460 1.484 20 0 EDADRP C[C@H](C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)N1CCSCC1 ZINC000130849957 442358364 /nfs/dbraw/zinc/35/83/64/442358364.db2.gz VOPCGKVJQVSHDK-RBSFLKMASA-N 2 0 329.510 1.039 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC[C@@H](C)[NH+](C)C2CC2)C1 ZINC000171592994 442360764 /nfs/dbraw/zinc/36/07/64/442360764.db2.gz JJVMINGSSOQWNV-GDBMZVCRSA-N 2 0 326.485 1.125 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000178857108 442504613 /nfs/dbraw/zinc/50/46/13/442504613.db2.gz IUJAUQZYDNAKAG-HRCADAONSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000186117564 442466651 /nfs/dbraw/zinc/46/66/51/442466651.db2.gz DJNNTEZDNSNHMV-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000186590238 442567397 /nfs/dbraw/zinc/56/73/97/442567397.db2.gz NTQJFJNGRBZYJK-SJORKVTESA-N 2 0 348.516 1.647 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000186976342 442637984 /nfs/dbraw/zinc/63/79/84/442637984.db2.gz GZXKVSJINFPHOB-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CCC[C@H]([NH2+][C@@H]1CC(=O)N(CCN2CCOCC2)C1)c1ccccn1 ZINC000181029523 442676358 /nfs/dbraw/zinc/67/63/58/442676358.db2.gz AISRHHHBPHSVOZ-AEFFLSMTSA-N 2 0 346.475 1.446 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCNC(=O)[C@@H]2c2ccccc2)CC1 ZINC000192770181 442684809 /nfs/dbraw/zinc/68/48/09/442684809.db2.gz XKFXFQDORYKKDC-IBGZPJMESA-N 2 0 344.503 1.576 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CCNC(=O)[C@H]2c2ccccc2)CC1 ZINC000192770193 442684875 /nfs/dbraw/zinc/68/48/75/442684875.db2.gz XKFXFQDORYKKDC-LJQANCHMSA-N 2 0 344.503 1.576 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](CCC(=O)OCc3ccccc3)C2)CC1 ZINC000181454266 442698220 /nfs/dbraw/zinc/69/82/20/442698220.db2.gz BVMHPTWFZNDGEZ-IBGZPJMESA-N 2 0 345.487 1.832 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000193317958 442732284 /nfs/dbraw/zinc/73/22/84/442732284.db2.gz XGWMNBUUWKGKNW-YOEHRIQHSA-N 2 0 346.475 1.919 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000193503456 442749052 /nfs/dbraw/zinc/74/90/52/442749052.db2.gz CBJHUZFMGSSDFD-YJBOKZPZSA-N 2 0 330.476 1.304 20 0 EDADRP C[N@H+]1C[C@@H]2C[NH+]([C@H]3CCCN(Cc4ccc(F)cc4F)C3=O)C[C@@H]2C1 ZINC000193622625 442760521 /nfs/dbraw/zinc/76/05/21/442760521.db2.gz JMQXDBRTPGNFGJ-DAYGRLMNSA-N 2 0 349.425 1.949 20 0 EDADRP CCc1nccn1[C@@H]1CCCN(C(=O)NCCn2ccnc2C)C1 ZINC000265608069 442844039 /nfs/dbraw/zinc/84/40/39/442844039.db2.gz YYXQJAJGQKYLJV-OAHLLOKOSA-N 2 0 330.436 1.997 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000268132535 442862648 /nfs/dbraw/zinc/86/26/48/442862648.db2.gz DRQWRNXUTNMNMX-QAPCUYQASA-N 2 0 344.503 1.677 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000179158365 318453745 /nfs/dbraw/zinc/45/37/45/318453745.db2.gz RRCFTBLLOPUHAP-MSOLQXFVSA-N 2 0 339.524 1.850 20 0 EDADRP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182957883 442854361 /nfs/dbraw/zinc/85/43/61/442854361.db2.gz CLCAKMOQMOZOOW-KRWDZBQOSA-N 2 0 338.540 1.735 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)C1 ZINC000183220383 442906084 /nfs/dbraw/zinc/90/60/84/442906084.db2.gz XPDZAESIKVAPOH-MRXNPFEDSA-N 2 0 348.491 1.826 20 0 EDADRP C[C@@H]1CC(O)C[C@@H](C)[NH+]1CCOCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000248748976 442923918 /nfs/dbraw/zinc/92/39/18/442923918.db2.gz GBDOCMFXDRYICI-KLHDSHLOSA-N 2 0 328.497 1.470 20 0 EDADRP CC1CC[NH+](CC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC1 ZINC000268543042 443027593 /nfs/dbraw/zinc/02/75/93/443027593.db2.gz LFUBNFLDYIMBCZ-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP CN(CCC[NH2+]Cc1cn(C)nc1-c1cccnc1)CC[NH+](C)C ZINC000623087957 450398570 /nfs/dbraw/zinc/39/85/70/450398570.db2.gz QLKYARAUNVNTBI-UHFFFAOYSA-N 2 0 330.480 1.455 20 0 EDADRP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[NH+](C)C ZINC000268758172 443099527 /nfs/dbraw/zinc/09/95/27/443099527.db2.gz ZAXSZIDLLFMGQM-SFHVURJKSA-N 2 0 333.476 1.600 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770349 443103505 /nfs/dbraw/zinc/10/35/05/443103505.db2.gz POCICCOLOSWJTP-YAJHFMINSA-N 2 0 331.504 1.724 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C(N)=O)CCOCC1 ZINC000268794365 443111147 /nfs/dbraw/zinc/11/11/47/443111147.db2.gz FDCKBHRFYCMDST-WMZOPIPTSA-N 2 0 345.487 1.769 20 0 EDADRP Cc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3C[NH2+]CCO3)CC2)cc1 ZINC000237722476 443180886 /nfs/dbraw/zinc/18/08/86/443180886.db2.gz DQNCEXWOCIOTON-SFHVURJKSA-N 2 0 331.460 1.312 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)C1 ZINC000262374034 443191836 /nfs/dbraw/zinc/19/18/36/443191836.db2.gz XRMDAHZPAKLPQP-HOCLYGCPSA-N 2 0 329.510 1.122 20 0 EDADRP O=C([C@H]1[NH2+]CCc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000238018242 443192718 /nfs/dbraw/zinc/19/27/18/443192718.db2.gz BBSHXHRPMVCIAL-YJBOKZPZSA-N 2 0 329.444 1.054 20 0 EDADRP O=C(CC1CC[NH2+]CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000238148444 443195439 /nfs/dbraw/zinc/19/54/39/443195439.db2.gz HZPIMOXRHFKIGH-UHFFFAOYSA-N 2 0 345.443 1.924 20 0 EDADRP C[C@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000269187806 443226294 /nfs/dbraw/zinc/22/62/94/443226294.db2.gz GZKKSIHRMYPWPY-MRXNPFEDSA-N 2 0 333.476 1.863 20 0 EDADRP O=C(N[C@H]1CC[N@H+](CC2CCCC2)C1)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000245483265 443231364 /nfs/dbraw/zinc/23/13/64/443231364.db2.gz FBKOXPGFIFVWSJ-ZWKOTPCHSA-N 2 0 332.492 1.907 20 0 EDADRP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)c1 ZINC000262509207 443198889 /nfs/dbraw/zinc/19/88/89/443198889.db2.gz LVLYGRSZDFKMRL-QZTJIDSGSA-N 2 0 333.476 1.648 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ccc(C)nc1 ZINC000266683315 443207192 /nfs/dbraw/zinc/20/71/92/443207192.db2.gz ROWVPSJAFIJOKR-SFHVURJKSA-N 2 0 347.507 1.948 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)[N@@H+]2CC3(CCCC3)OC(C)(C)C2)CC1 ZINC000190971914 443217219 /nfs/dbraw/zinc/21/72/19/443217219.db2.gz YPGHGXJMYLNGPZ-MRXNPFEDSA-N 2 0 337.508 1.963 20 0 EDADRP CC1(C)CN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382690258 319124273 /nfs/dbraw/zinc/12/42/73/319124273.db2.gz BECJAKUOUNTOAN-UHFFFAOYSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000382719093 319124699 /nfs/dbraw/zinc/12/46/99/319124699.db2.gz JVUFSVXDGGLGIV-NXHRZFHOSA-N 2 0 331.460 1.616 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000266815491 443254057 /nfs/dbraw/zinc/25/40/57/443254057.db2.gz INMSKQYFURQNNO-GOSISDBHSA-N 2 0 330.476 1.361 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(C)C ZINC000414190593 319318655 /nfs/dbraw/zinc/31/86/55/319318655.db2.gz KQFJYRQQIZUNAR-IAGOWNOFSA-N 2 0 339.524 1.576 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCF)(N2CCOCC2)CC1 ZINC000414202703 319319078 /nfs/dbraw/zinc/31/90/78/319319078.db2.gz UNFVLMSBUBMISW-SJORKVTESA-N 2 0 327.488 1.901 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)c1cccs1 ZINC000414662883 319338533 /nfs/dbraw/zinc/33/85/33/319338533.db2.gz RLSIQHFMVXSPSQ-CQSZACIVSA-N 2 0 346.456 1.564 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NCC1CC[NH+](Cc2cccs2)CC1 ZINC000269267405 443258511 /nfs/dbraw/zinc/25/85/11/443258511.db2.gz ZWWCAWQBXMOGDY-HNNXBMFYSA-N 2 0 337.489 1.455 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)C[C@H]2CCCN(C(=O)C[NH3+])C2)oc1C ZINC000414684764 319342375 /nfs/dbraw/zinc/34/23/75/319342375.db2.gz WPEQVEXDQNKZIC-CYBMUJFWSA-N 2 0 337.420 1.004 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415236393 319355073 /nfs/dbraw/zinc/35/50/73/319355073.db2.gz FMBFRQMINUVZCE-CQSZACIVSA-N 2 0 346.475 1.507 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000415749518 319369724 /nfs/dbraw/zinc/36/97/24/319369724.db2.gz RDDJAKKUXBXKFD-HOTGVXAUSA-N 2 0 344.459 1.063 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2ccc(C[NH2+]C)cc2)CC[N@@H+]1C[C@@H](C)O ZINC000415972211 319386723 /nfs/dbraw/zinc/38/67/23/319386723.db2.gz MEXNWBPTWYQCOU-RHSMWYFYSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000415991486 319388032 /nfs/dbraw/zinc/38/80/32/319388032.db2.gz PHUDYMHTTBAXDM-SFHVURJKSA-N 2 0 347.507 1.800 20 0 EDADRP CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000269283530 443266156 /nfs/dbraw/zinc/26/61/56/443266156.db2.gz GXSSPHAOCFWHQG-IRXDYDNUSA-N 2 0 345.491 1.180 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)Cc1ccccc1 ZINC000416839102 319465933 /nfs/dbraw/zinc/46/59/33/319465933.db2.gz JJSXJFYNYTYUEJ-OKYOBFRVSA-N 2 0 344.503 1.928 20 0 EDADRP Cc1n[nH]c(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000272477093 443332128 /nfs/dbraw/zinc/33/21/28/443332128.db2.gz XZULWXLVOYZGJM-UHFFFAOYSA-N 2 0 342.491 1.976 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000264577592 443333410 /nfs/dbraw/zinc/33/34/10/443333410.db2.gz ZFWNTNQSLWMELO-LPHOPBHVSA-N 2 0 345.487 1.817 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)C2)CC1 ZINC000418794452 319512473 /nfs/dbraw/zinc/51/24/73/319512473.db2.gz PMEPKWWWQFSTAM-XWTMOSNGSA-N 2 0 334.508 1.748 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000422739116 319736006 /nfs/dbraw/zinc/73/60/06/319736006.db2.gz KNVOZKYQLKMQPO-DGCLKSJQSA-N 2 0 340.265 1.767 20 0 EDADRP O=C1CCN(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)CC1 ZINC000273096574 443538106 /nfs/dbraw/zinc/53/81/06/443538106.db2.gz OXMSJHMPKWYDFK-FQEVSTJZSA-N 2 0 345.487 1.644 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](Cc3ccccn3)CC2)CC[N@@H+]1C ZINC000279219305 443539395 /nfs/dbraw/zinc/53/93/95/443539395.db2.gz OUIOYEQALMDRSE-HOTGVXAUSA-N 2 0 330.476 1.893 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000264963973 443493603 /nfs/dbraw/zinc/49/36/03/443493603.db2.gz ATQWZCMHBCHGRW-GOSISDBHSA-N 2 0 330.476 1.641 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000265414914 443634715 /nfs/dbraw/zinc/63/47/15/443634715.db2.gz ICBFEEPJDADKJZ-ROUUACIJSA-N 2 0 346.475 1.233 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000274563423 443608209 /nfs/dbraw/zinc/60/82/09/443608209.db2.gz AACBASGKFQHLSI-NEPXVJNWSA-N 2 0 345.487 1.780 20 0 EDADRP COc1cccc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)c1OC ZINC000433163371 319973299 /nfs/dbraw/zinc/97/32/99/319973299.db2.gz BDXSZMWKWVUSAU-UHFFFAOYSA-N 2 0 335.448 1.523 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000445838726 320130479 /nfs/dbraw/zinc/13/04/79/320130479.db2.gz AQJRXTURQXEKON-GASCZTMLSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(N1CC[C@@H](C[NH+]2CCOCC2)C1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449367226 320184890 /nfs/dbraw/zinc/18/48/90/320184890.db2.gz UOSXTLGUTZBNTB-PXNSSMCTSA-N 2 0 343.471 1.098 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H]3CC[C@H](C[NH3+])C3)CC2)c1 ZINC000449715885 320201750 /nfs/dbraw/zinc/20/17/50/320201750.db2.gz BXCDAFPMYJEUHT-ZWKOTPCHSA-N 2 0 344.503 1.751 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1cccc(F)c1 ZINC000457482274 320327701 /nfs/dbraw/zinc/32/77/01/320327701.db2.gz PJIZTSSMPZVVGN-BHYGNILZSA-N 2 0 334.439 1.774 20 0 EDADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000457734132 320334161 /nfs/dbraw/zinc/33/41/61/320334161.db2.gz FSIPDENYDYRBBL-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCOCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000471647584 320353118 /nfs/dbraw/zinc/35/31/18/320353118.db2.gz QIDHYABNRJPBJA-KRWDZBQOSA-N 2 0 342.528 1.620 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)N[C@@H]2C[C@H](C)[NH+](C3CC3)C2)C[C@@H](C)C1 ZINC000489563650 320361451 /nfs/dbraw/zinc/36/14/51/320361451.db2.gz QXZOFIUQGQDNCQ-WXQHOCMDSA-N 2 0 334.508 1.983 20 0 EDADRP CNC(=O)c1ccc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000527376205 320508243 /nfs/dbraw/zinc/50/82/43/320508243.db2.gz DGKSXNYRRJXJPM-UHFFFAOYSA-N 2 0 349.479 1.312 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCN(C)CC1 ZINC000298657210 443830767 /nfs/dbraw/zinc/83/07/67/443830767.db2.gz UMHHJZKJBQWIOG-UHFFFAOYSA-N 2 0 348.491 1.864 20 0 EDADRP COc1cc(C[NH+]2CCC[C@@H]2CO)cc(C[N@@H+]2CCC[C@@H]2CO)c1 ZINC000292658436 443810404 /nfs/dbraw/zinc/81/04/04/443810404.db2.gz PQRDHFNPULIVKL-QZTJIDSGSA-N 2 0 334.460 1.609 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000288502911 443900981 /nfs/dbraw/zinc/90/09/81/443900981.db2.gz BJNRDSBVAGTALF-SJORKVTESA-N 2 0 347.459 1.390 20 0 EDADRP CCOC(=O)CCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285406616 443973126 /nfs/dbraw/zinc/97/31/26/443973126.db2.gz BDZCONKWBWTJMS-LJQANCHMSA-N 2 0 345.487 1.832 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000299402280 444037907 /nfs/dbraw/zinc/03/79/07/444037907.db2.gz CLPNBIKFTCOWRD-UHFFFAOYSA-N 2 0 336.480 1.768 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000562476458 321059594 /nfs/dbraw/zinc/05/95/94/321059594.db2.gz NARNEKKBCGXYNI-UHFFFAOYSA-N 2 0 334.468 1.537 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@H]1CCCC[NH+]1CCO ZINC000562674416 321068666 /nfs/dbraw/zinc/06/86/66/321068666.db2.gz DJGCAKKMMMTORV-HZPDHXFCSA-N 2 0 340.512 1.253 20 0 EDADRP CCN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ncc[nH]1 ZINC000562819573 321079069 /nfs/dbraw/zinc/07/90/69/321079069.db2.gz PTSNFBSIVDFNHX-ILXRZTDVSA-N 2 0 334.468 1.315 20 0 EDADRP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC(=O)N2CC[NH2+]CC2)c2ccccc21 ZINC000562956317 321083094 /nfs/dbraw/zinc/08/30/94/321083094.db2.gz NQKVZVFRUFDYSV-IRXDYDNUSA-N 2 0 345.443 1.190 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccc([C@H](C)[NH3+])cc3)C2)CC1 ZINC000563073784 321093793 /nfs/dbraw/zinc/09/37/93/321093793.db2.gz LVONUMOGHDNYQW-YJBOKZPZSA-N 2 0 330.476 1.558 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000563932148 321116037 /nfs/dbraw/zinc/11/60/37/321116037.db2.gz LSFXVVRGQOMGLH-QGZVFWFLSA-N 2 0 325.497 1.583 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000564823649 321149987 /nfs/dbraw/zinc/14/99/87/321149987.db2.gz PTBILMDPHUESQP-NEWSRXKRSA-N 2 0 335.492 1.619 20 0 EDADRP C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000564852942 321151386 /nfs/dbraw/zinc/15/13/86/321151386.db2.gz VIADDFYMSOMIFF-OAFZBRQQSA-N 2 0 336.476 1.773 20 0 EDADRP Cc1cccc(OCCC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1C ZINC000564862126 321152591 /nfs/dbraw/zinc/15/25/91/321152591.db2.gz JFTVUZZYTKLLPW-SFHVURJKSA-N 2 0 335.492 1.270 20 0 EDADRP Nc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000564914361 321156927 /nfs/dbraw/zinc/15/69/27/321156927.db2.gz LAVVFOQFTXNBOW-UHFFFAOYSA-N 2 0 340.431 1.001 20 0 EDADRP O[C@@H](Cn1cccn1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289257682 444089100 /nfs/dbraw/zinc/08/91/00/444089100.db2.gz CVXJGMGCUXYOKL-MRXNPFEDSA-N 2 0 337.427 1.614 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000565416477 321185642 /nfs/dbraw/zinc/18/56/42/321185642.db2.gz RYXREMPTOLRWEW-ADAWSYLGSA-N 2 0 349.500 1.689 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1CCC(C(=O)N2CCSCC2)CC1 ZINC000566089634 321214254 /nfs/dbraw/zinc/21/42/54/321214254.db2.gz AHRQVLMWEISEEZ-GYTBAZASSA-N 2 0 325.522 1.838 20 0 EDADRP CC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1 ZINC000566107552 321215783 /nfs/dbraw/zinc/21/57/83/321215783.db2.gz MZCHNVXVWNFQCA-MAUKXSAKSA-N 2 0 349.475 1.706 20 0 EDADRP Cc1ccc(OC[C@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(C)c1 ZINC000566115720 321217031 /nfs/dbraw/zinc/21/70/31/321217031.db2.gz FYPITDXJVVEKCM-QZTJIDSGSA-N 2 0 335.492 1.269 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])c1 ZINC000567735693 321256323 /nfs/dbraw/zinc/25/63/23/321256323.db2.gz PWOYGQDUNZMGON-HZPDHXFCSA-N 2 0 348.491 1.127 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000567842607 321261889 /nfs/dbraw/zinc/26/18/89/321261889.db2.gz UJSFROAXXIQMLG-DOTOQJQBSA-N 3 0 330.476 1.094 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000568201049 321280098 /nfs/dbraw/zinc/28/00/98/321280098.db2.gz GFUQCOAUJKMHDG-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000569966068 321332327 /nfs/dbraw/zinc/33/23/27/321332327.db2.gz BTHDJMBDEZRWMQ-BZUAXINKSA-N 2 0 348.495 1.128 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)c1 ZINC000285818062 444117910 /nfs/dbraw/zinc/11/79/10/444117910.db2.gz SNZHRGJXYILVPZ-HNAYVOBHSA-N 2 0 344.459 1.519 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000570665465 321352980 /nfs/dbraw/zinc/35/29/80/321352980.db2.gz KNKYXLULRRTODW-ROUUACIJSA-N 2 0 345.491 1.026 20 0 EDADRP COC[C@]1(CNC(=O)N2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)CCC[NH2+]1 ZINC000570942803 321365699 /nfs/dbraw/zinc/36/56/99/321365699.db2.gz HQFCXZWSTCLXST-LISAXSMJSA-N 2 0 338.496 1.127 20 0 EDADRP CO[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1cccc(Cl)c1 ZINC000571147979 321375076 /nfs/dbraw/zinc/37/50/76/321375076.db2.gz FZTRPRCWDZYFQA-GJZGRUSLSA-N 2 0 340.855 1.312 20 0 EDADRP CN(CCC[N@H+](C)[C@@H]1CCN(c2ccccc2)C1=O)CC[NH+](C)C ZINC000289457158 444150019 /nfs/dbraw/zinc/15/00/19/444150019.db2.gz PTCSKCXYSUKTEP-GOSISDBHSA-N 2 0 332.492 1.607 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(=O)OC)[nH]1 ZINC000289460453 444150162 /nfs/dbraw/zinc/15/01/62/444150162.db2.gz OJJFLSAUTRXAAB-MRXNPFEDSA-N 2 0 336.480 1.649 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1ccnn1-c1ccccc1 ZINC000289495447 444158755 /nfs/dbraw/zinc/15/87/55/444158755.db2.gz SFCCYKZQNAKODB-UHFFFAOYSA-N 2 0 327.476 1.942 20 0 EDADRP COc1ccsc1C[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000289914924 444219065 /nfs/dbraw/zinc/21/90/65/444219065.db2.gz VFWFARPWCYSKKV-UHFFFAOYSA-N 2 0 337.489 1.743 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)nn1 ZINC000289642174 444185185 /nfs/dbraw/zinc/18/51/85/444185185.db2.gz HDXGUGHWPYSWLR-GOSISDBHSA-N 2 0 343.475 1.902 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(S(N)(=O)=O)cc32)C1 ZINC000289757977 444199433 /nfs/dbraw/zinc/19/94/33/444199433.db2.gz MXEXMUVLTAEOCK-CXAGYDPISA-N 2 0 337.489 1.643 20 0 EDADRP C[C@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000305219202 444265848 /nfs/dbraw/zinc/26/58/48/444265848.db2.gz KLUYWTRERCWALK-DLBZAZTESA-N 2 0 346.475 1.356 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C[C@H](C)O)C2CCCCC2)CC1 ZINC000303973437 444238077 /nfs/dbraw/zinc/23/80/77/444238077.db2.gz GWLAFWFDCKLKJN-HNNXBMFYSA-N 2 0 325.497 1.602 20 0 EDADRP CCn1nc(C)c(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1C ZINC000307976450 444288653 /nfs/dbraw/zinc/28/86/53/444288653.db2.gz WDLPGTROXDBYDO-SJLPKXTDSA-N 2 0 347.507 1.600 20 0 EDADRP C[C@H]1CN(C[C@H](O)C[N@H+](C)C2CC2)CC[NH+](Cc2ccccc2)C1 ZINC000323493854 444343617 /nfs/dbraw/zinc/34/36/17/444343617.db2.gz SUQIFTZJCUSPLK-YLJYHZDGSA-N 2 0 331.504 1.895 20 0 EDADRP C[C@@H](CNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12)C[NH+]1CCCC1 ZINC000326091762 444371916 /nfs/dbraw/zinc/37/19/16/444371916.db2.gz SFFDPEMBIMMXPO-WMLDXEAASA-N 2 0 328.460 1.886 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000327238617 444381218 /nfs/dbraw/zinc/38/12/18/444381218.db2.gz MGQNDSAEZJWFLS-IBGZPJMESA-N 2 0 343.471 1.444 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000579344467 321922179 /nfs/dbraw/zinc/92/21/79/321922179.db2.gz DOPYGLYEKZGCRS-DLBZAZTESA-N 2 0 325.497 1.066 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCc2ccc3[nH]ccc3c2)C[C@@H](C)O1 ZINC000580305834 322033636 /nfs/dbraw/zinc/03/36/36/322033636.db2.gz WUTIADCHDISGNJ-RKVPGOIHSA-N 2 0 331.460 1.770 20 0 EDADRP CN(CCCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+])c1ccccc1 ZINC000580704151 322084425 /nfs/dbraw/zinc/08/44/25/322084425.db2.gz LTGSPZAFDKJSGR-KRWDZBQOSA-N 2 0 333.480 1.187 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000580887291 322107757 /nfs/dbraw/zinc/10/77/57/322107757.db2.gz LNSPZFFAQOIJTN-ARFHVFGLSA-N 2 0 348.491 1.751 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)C[C@@H]21 ZINC000342150169 444536064 /nfs/dbraw/zinc/53/60/64/444536064.db2.gz XDUCQENRFDIXJB-RYQLBKOJSA-N 2 0 337.508 1.901 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338209032 444564388 /nfs/dbraw/zinc/56/43/88/444564388.db2.gz UJOFWWIMZLOAHF-FXAWDEMLSA-N 2 0 339.487 1.986 20 0 EDADRP CC[NH+](CC)C[C@H]1CCCC[C@H]1NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343767294 444576265 /nfs/dbraw/zinc/57/62/65/444576265.db2.gz GZPKUVUXOMFTAG-AJYUKVHDSA-N 2 0 349.519 1.818 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCn2cncn2)CC1 ZINC000343843233 444621987 /nfs/dbraw/zinc/62/19/87/444621987.db2.gz IBBKHQBTYXOFRQ-UHFFFAOYSA-N 2 0 328.464 1.600 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H]1C ZINC000333263143 444651574 /nfs/dbraw/zinc/65/15/74/444651574.db2.gz FEPINOJYLGJZCZ-KGLIPLIRSA-N 2 0 348.447 1.087 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333123066 444640356 /nfs/dbraw/zinc/64/03/56/444640356.db2.gz ASIMQTWSLJHAQG-DXEWXGHRSA-N 2 0 336.480 1.007 20 0 EDADRP O=C(NCc1ccnc(N2CCCC2)c1)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000333924658 444719571 /nfs/dbraw/zinc/71/95/71/444719571.db2.gz TVUIPGAIMFOSQE-CVEARBPZSA-N 2 0 329.448 1.433 20 0 EDADRP C[C@H]1C[C@H](C)CN(C(=O)C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)C1 ZINC000333645660 444687086 /nfs/dbraw/zinc/68/70/86/444687086.db2.gz YBMKFQYXWIQDNT-GJZGRUSLSA-N 2 0 345.491 1.628 20 0 EDADRP C[C@@H]1C[NH+](C)[C@H](C)CN1c1cncc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)n1 ZINC000342547018 444739393 /nfs/dbraw/zinc/73/93/93/444739393.db2.gz PXKOTDDJOSKJEY-QKPAOTATSA-N 2 0 332.496 1.534 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)n3ccnc32)CC[N@@H+]1C[C@@H](C)O ZINC000334073996 444771481 /nfs/dbraw/zinc/77/14/81/444771481.db2.gz JBCAKSVIXPGWLU-KBUPBQIOSA-N 2 0 335.452 1.376 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(F)c1 ZINC000336876266 444821441 /nfs/dbraw/zinc/82/14/41/444821441.db2.gz QUKYAPCJKAIGLI-UHFFFAOYSA-N 2 0 343.468 1.472 20 0 EDADRP C[C@@H]1C[C@H](CO)CC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000344174543 444822136 /nfs/dbraw/zinc/82/21/36/444822136.db2.gz QVLAFDGKHSNJGG-NUJGCVRESA-N 2 0 333.476 1.498 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000330084175 444838541 /nfs/dbraw/zinc/83/85/41/444838541.db2.gz KYMNYODHLXLISU-JKSUJKDBSA-N 2 0 331.464 1.384 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000341473934 444850247 /nfs/dbraw/zinc/85/02/47/444850247.db2.gz STEIZAPJDINDTA-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)nn1 ZINC000342805784 444874607 /nfs/dbraw/zinc/87/46/07/444874607.db2.gz JOFUAFXXCCKSAN-GDBMZVCRSA-N 2 0 349.479 1.697 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000344188531 444829422 /nfs/dbraw/zinc/82/94/22/444829422.db2.gz FZKXRUIKAZGIGN-DLBZAZTESA-N 2 0 325.497 1.724 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000341561403 444895456 /nfs/dbraw/zinc/89/54/56/444895456.db2.gz SLBRTEIUMZMBPK-HZPDHXFCSA-N 2 0 328.501 1.469 20 0 EDADRP CC[C@@H](C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1)[NH+](C)C ZINC000338970008 444961782 /nfs/dbraw/zinc/96/17/82/444961782.db2.gz LQZHEQCFXLHTBK-INIZCTEOSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000330539251 445024730 /nfs/dbraw/zinc/02/47/30/445024730.db2.gz YOKQIUYHQMCDST-LSDHHAIUSA-N 2 0 329.448 1.463 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@](O)(C(F)(F)F)C2)CC1 ZINC000337261406 445007627 /nfs/dbraw/zinc/00/76/27/445007627.db2.gz XWXGWNZIXAQJHT-OAHLLOKOSA-N 2 0 337.430 1.792 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1C(=O)NC2(CCCC2)C1=O ZINC000341903211 445063283 /nfs/dbraw/zinc/06/32/83/445063283.db2.gz TYAUUCCWBZDWBK-KFWWJZLASA-N 2 0 336.480 1.559 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341915678 445070139 /nfs/dbraw/zinc/07/01/39/445070139.db2.gz DGIAEIKMPVHGCQ-IAGOWNOFSA-N 2 0 325.497 1.726 20 0 EDADRP CC(C)OC[C@@H](C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000337347573 445042041 /nfs/dbraw/zinc/04/20/41/445042041.db2.gz XRIGVXSUHJSXHR-QGZVFWFLSA-N 2 0 335.496 1.782 20 0 EDADRP CCN1C[C@@H](C)[C@H]([NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343079132 445046862 /nfs/dbraw/zinc/04/68/62/445046862.db2.gz OSVXNUXXLQMCJI-UYAOXDASSA-N 2 0 330.520 1.734 20 0 EDADRP C[C@H]1CN(C(=O)[C@H](c2cncn2C)N(C)C)CC[N@@H+](C2CCC2)C1 ZINC000344738826 445138207 /nfs/dbraw/zinc/13/82/07/445138207.db2.gz HWYANKMULUSXKY-PBHICJAKSA-N 2 0 333.480 1.356 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2ccc(C[NH+](C)C)nc2)C[C@H](C)O1 ZINC000339225748 445099912 /nfs/dbraw/zinc/09/99/12/445099912.db2.gz ICMFXLUZEFMTPN-HOTGVXAUSA-N 2 0 348.491 1.762 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000330716346 445109123 /nfs/dbraw/zinc/10/91/23/445109123.db2.gz UFNIRRMLFUCLJE-CQSZACIVSA-N 2 0 336.484 1.639 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCOc3ccccc3F)C[C@@H]21 ZINC000342082902 445162307 /nfs/dbraw/zinc/16/23/07/445162307.db2.gz JIABRVPSOCTVTN-HLLBOEOZSA-N 2 0 349.450 1.770 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000342047482 445142861 /nfs/dbraw/zinc/14/28/61/445142861.db2.gz WWEXFKDGBIJSLK-MRXNPFEDSA-N 2 0 340.512 1.023 20 0 EDADRP CCNC(=O)C[C@H]1CCCC[N@@H+]1CCCN1CC[NH+](C(C)C)CC1 ZINC000342050424 445145295 /nfs/dbraw/zinc/14/52/95/445145295.db2.gz QXQLQEVULZVZBD-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3=CC[N@H+](C)CC3)cc2)CC1 ZINC000343347809 445206821 /nfs/dbraw/zinc/20/68/21/445206821.db2.gz SBOFYBRWZNMASX-UHFFFAOYSA-N 2 0 342.487 1.820 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@@H]([NH3+])CC(F)F)CC2)C[C@H](C)O1 ZINC000345704240 445196628 /nfs/dbraw/zinc/19/66/28/445196628.db2.gz FQKIUWFOWNVIPR-GUTXKFCHSA-N 2 0 347.450 1.707 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000343429555 445221371 /nfs/dbraw/zinc/22/13/71/445221371.db2.gz CDSAUPHTIBXJTO-JKSUJKDBSA-N 2 0 329.400 1.236 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000347686785 445244900 /nfs/dbraw/zinc/24/49/00/445244900.db2.gz ACRPRFXYFYNWGY-HOTGVXAUSA-N 2 0 325.497 1.581 20 0 EDADRP CO[C@@H](C)C[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C(C)C ZINC000354465165 445249066 /nfs/dbraw/zinc/24/90/66/445249066.db2.gz UVWSFHHVRBZBPK-IRXDYDNUSA-N 2 0 343.512 1.205 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[N@H+](CC)C2)C1 ZINC000351768498 445314501 /nfs/dbraw/zinc/31/45/01/445314501.db2.gz WMTBYAAMQIEMKF-DLBZAZTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351927246 445380181 /nfs/dbraw/zinc/38/01/81/445380181.db2.gz NBKBUDQLVFVBJI-LMSBXDPUSA-N 2 0 331.460 1.078 20 0 EDADRP C[C@@H]1C[C@H](CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)CCO1 ZINC000362637576 445473190 /nfs/dbraw/zinc/47/31/90/445473190.db2.gz HSJOPNNSBKHKRJ-BZUAXINKSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(CCOC1C[NH2+]C1)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000349011502 445475933 /nfs/dbraw/zinc/47/59/33/445475933.db2.gz YMUSLJDDLNVDFY-UHFFFAOYSA-N 2 0 347.459 1.208 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362566094 445443618 /nfs/dbraw/zinc/44/36/18/445443618.db2.gz FNYYNFBIUKENMP-RBSFLKMASA-N 2 0 347.507 1.973 20 0 EDADRP CCn1nccc1C[NH+]1CCC(C(=O)NCCC[NH+](CC)CC)CC1 ZINC000348935917 445448442 /nfs/dbraw/zinc/44/84/42/445448442.db2.gz QQRVNXMPDOGTCH-UHFFFAOYSA-N 2 0 349.523 1.963 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CCN2CCCS2(=O)=O)CC1 ZINC000359841849 445455813 /nfs/dbraw/zinc/45/58/13/445455813.db2.gz GONFBHMGHDSHOZ-UHFFFAOYSA-N 2 0 345.553 1.856 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H]3CCC[NH+]3C3CCCC3)[C@@H]2C1 ZINC000355381327 445457891 /nfs/dbraw/zinc/45/78/91/445457891.db2.gz HICZMGGTFOFKFE-KURKYZTESA-N 2 0 335.492 1.715 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC([NH+](C)CCO)CC1 ZINC000359911130 445484197 /nfs/dbraw/zinc/48/41/97/445484197.db2.gz KTMIOFZBQPNGIW-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP COC[C@@]1(CNC(=O)c2oc3ccccc3c2C[NH+](C)C)CCC[NH2+]1 ZINC000357267504 445516998 /nfs/dbraw/zinc/51/69/98/445516998.db2.gz FNJVUBBNBJHQIC-IBGZPJMESA-N 2 0 345.443 1.993 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CC[NH+](CC3(O)CCCC3)CC2)C1 ZINC000349041566 445485682 /nfs/dbraw/zinc/48/56/82/445485682.db2.gz UNGKIRIJACUHFN-KRWDZBQOSA-N 2 0 325.497 1.018 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000359914590 445486167 /nfs/dbraw/zinc/48/61/67/445486167.db2.gz UWSNKRNDAHCWMS-HZPDHXFCSA-N 2 0 328.501 1.253 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000359919156 445489054 /nfs/dbraw/zinc/48/90/54/445489054.db2.gz SUOOXTIEZXAFMT-YESZJQIVSA-N 2 0 342.528 1.593 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221048 445489899 /nfs/dbraw/zinc/48/98/99/445489899.db2.gz BPFRCNNSWHJQLK-ZWKOTPCHSA-N 2 0 349.475 1.191 20 0 EDADRP Cc1cnn(C)c1C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000352773849 445553835 /nfs/dbraw/zinc/55/38/35/445553835.db2.gz VAZSAYNEUNUBAM-UHFFFAOYSA-N 2 0 343.479 1.211 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)C[NH+](C)C(C)C)C[C@H]1CC ZINC000360137386 445589146 /nfs/dbraw/zinc/58/91/46/445589146.db2.gz SPCJQCNHDGCPQK-IAGOWNOFSA-N 2 0 342.528 1.857 20 0 EDADRP C[N@H+](CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1)C1CCCCC1 ZINC000362804335 445557257 /nfs/dbraw/zinc/55/72/57/445557257.db2.gz DPWIKJUAAOVIHE-MRXNPFEDSA-N 2 0 333.480 1.802 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCC(C)(C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC000360108774 445572317 /nfs/dbraw/zinc/57/23/17/445572317.db2.gz ASSVCHWPBMXMNY-KRWDZBQOSA-N 2 0 346.519 1.870 20 0 EDADRP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)C1(C(=O)OC)CCC1 ZINC000353555239 445654254 /nfs/dbraw/zinc/65/42/54/445654254.db2.gz ZHGKEXMXDSGAQP-HOTGVXAUSA-N 2 0 326.481 1.791 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353573750 445661949 /nfs/dbraw/zinc/66/19/49/445661949.db2.gz AFLHKKZEMSEFJA-SFHVURJKSA-N 3 0 333.480 1.227 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000353699641 445714459 /nfs/dbraw/zinc/71/44/59/445714459.db2.gz FUVNVULDEXBZAC-MSOLQXFVSA-N 2 0 330.476 1.984 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000349904118 445716629 /nfs/dbraw/zinc/71/66/29/445716629.db2.gz PDWDLNLSOXEGHG-IRXDYDNUSA-N 2 0 338.496 1.367 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000349955645 445733237 /nfs/dbraw/zinc/73/32/37/445733237.db2.gz ZMXREZOAGOAIOR-BRWVUGGUSA-N 2 0 340.512 1.659 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000363252354 445741049 /nfs/dbraw/zinc/74/10/49/445741049.db2.gz VEXJTZUBHIRVJG-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])C[C@H](C)O1 ZINC000353796694 445760293 /nfs/dbraw/zinc/76/02/93/445760293.db2.gz PHMLQKSSQQOKHT-GPNCCUPLSA-N 2 0 337.508 1.756 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000353944666 445822440 /nfs/dbraw/zinc/82/24/40/445822440.db2.gz LMBPEIAYABWDFA-OWSLCNJRSA-N 2 0 339.524 1.826 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000356411151 445778295 /nfs/dbraw/zinc/77/82/95/445778295.db2.gz DDPYFDJCZINZSU-INIZCTEOSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH+]2CCC(O)(COC)CC2)CC1 ZINC000353885170 445797467 /nfs/dbraw/zinc/79/74/67/445797467.db2.gz ZINDBADOVQFRDQ-UHFFFAOYSA-N 2 0 347.503 1.802 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000356452918 445797605 /nfs/dbraw/zinc/79/76/05/445797605.db2.gz BLMPKMIKYXTYPK-KRWDZBQOSA-N 2 0 348.491 1.903 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)N[C@@H](C)C[NH+](C)C)[NH+]1CCOCC1 ZINC000350253038 445801175 /nfs/dbraw/zinc/80/11/75/445801175.db2.gz QHHFHSGFLMRCKX-GOEBONIOSA-N 2 0 328.501 1.373 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000350686259 445879914 /nfs/dbraw/zinc/87/99/14/445879914.db2.gz VPSCWWXYAARZIA-INIZCTEOSA-N 2 0 325.497 1.602 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCN2CCOCC2)CC1 ZINC000353971029 445834482 /nfs/dbraw/zinc/83/44/82/445834482.db2.gz HSPQYCBTCQCBLE-LJQANCHMSA-N 2 0 338.540 1.247 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1)C1CC1 ZINC000361768183 445927860 /nfs/dbraw/zinc/92/78/60/445927860.db2.gz CXWMSFRHGDTQGY-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]3CCCO3)C2)c1 ZINC000361751825 445915785 /nfs/dbraw/zinc/91/57/85/445915785.db2.gz PTFKLQXERCVFOC-ULQDDVLXSA-N 2 0 346.475 1.808 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC([NH+](C)Cc2ccccc2)C1 ZINC000354175745 445971214 /nfs/dbraw/zinc/97/12/14/445971214.db2.gz BSGQHTWDUXDVOC-DNVCBOLYSA-N 2 0 342.487 1.995 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000369198704 445988059 /nfs/dbraw/zinc/98/80/59/445988059.db2.gz YXEUOFVJFJTAOJ-QZTJIDSGSA-N 2 0 345.491 1.639 20 0 EDADRP COC(=O)C1(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)CCCCC1 ZINC000350918106 445949681 /nfs/dbraw/zinc/94/96/81/445949681.db2.gz LLLWHDGVEAZASX-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP Cc1nc(C)c(F)c(NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000356786914 446018613 /nfs/dbraw/zinc/01/86/13/446018613.db2.gz WDTOYFYJQTXDKE-UHFFFAOYSA-N 2 0 344.438 2.252 20 0 EDADRP CC(C)CCOC1CC[NH+]([C@H]2CC(=O)N(CC[NH+](C)C)C2=O)CC1 ZINC000359210726 446039554 /nfs/dbraw/zinc/03/95/54/446039554.db2.gz ROGNLQROJBFDME-INIZCTEOSA-N 2 0 339.480 1.203 20 0 EDADRP [NH3+][C@@H]1C[C@@H]1C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000583141112 326011036 /nfs/dbraw/zinc/01/10/36/326011036.db2.gz WPXSDJCXYDQREI-JKSUJKDBSA-N 2 0 336.867 1.316 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000583321650 326050516 /nfs/dbraw/zinc/05/05/16/326050516.db2.gz XEZOHMUUVBJMPW-INIZCTEOSA-N 2 0 345.491 1.725 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000359224469 446055152 /nfs/dbraw/zinc/05/51/52/446055152.db2.gz ILIBOZWUBXGQQA-INIZCTEOSA-N 2 0 346.475 1.663 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000359225594 446055618 /nfs/dbraw/zinc/05/56/18/446055618.db2.gz MCGHBGLUFMLLQY-INIZCTEOSA-N 2 0 331.464 1.048 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)COC2CCOCC2)c1 ZINC000583807467 326143473 /nfs/dbraw/zinc/14/34/73/326143473.db2.gz MXGCIHBHGKVDGJ-GOSISDBHSA-N 2 0 336.476 1.784 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCc3ccccc3[C@H]2C[NH3+])C1 ZINC000583932760 326168249 /nfs/dbraw/zinc/16/82/49/326168249.db2.gz IKAWVBRRMWDYMR-MAUKXSAKSA-N 2 0 330.476 1.986 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000583936079 326169567 /nfs/dbraw/zinc/16/95/67/326169567.db2.gz QUFBEICVHBOPQP-ZHALLVOQSA-N 2 0 331.460 1.605 20 0 EDADRP CC(C)C(=O)NC1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000584053967 326191029 /nfs/dbraw/zinc/19/10/29/326191029.db2.gz XVRIRIHVHNISGX-ROUUACIJSA-N 2 0 333.476 1.154 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[N@H+](C)[C@H](C)C3)CC2)c1 ZINC000354269504 446065417 /nfs/dbraw/zinc/06/54/17/446065417.db2.gz SBZZLWQHJHMGTA-CABCVRRESA-N 2 0 332.448 1.469 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)c2ccccc2CN2CCOCC2)CC[N@H+]1C ZINC000356850558 446069729 /nfs/dbraw/zinc/06/97/29/446069729.db2.gz MEVPLKRRVQWAPS-CVEARBPZSA-N 2 0 331.460 1.683 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000359242228 446073837 /nfs/dbraw/zinc/07/38/37/446073837.db2.gz VMQNNNHCFFSURQ-KRWDZBQOSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000369372571 446111629 /nfs/dbraw/zinc/11/16/29/446111629.db2.gz KBVUWCAHADJQTL-JFIYKMOQSA-N 2 0 349.523 1.033 20 0 EDADRP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)[C@H]1C ZINC000354330859 446117710 /nfs/dbraw/zinc/11/77/10/446117710.db2.gz BEVXLBSVUHUXHL-RYQLBKOJSA-N 2 0 339.524 1.827 20 0 EDADRP Cn1cc([C@@H]2[C@@H](CNC(=O)NC[C@H]3CCC[N@@H+]3C)CCC[NH+]2C)cn1 ZINC000365346579 446160016 /nfs/dbraw/zinc/16/00/16/446160016.db2.gz DCEMWOSOPLXXFP-OIISXLGYSA-N 2 0 348.495 1.196 20 0 EDADRP C[C@H](C(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[C@@H]([NH3+])c1ccccc1 ZINC000366344482 446164809 /nfs/dbraw/zinc/16/48/09/446164809.db2.gz FQXQGJGTTCKCSI-GDAAHCPNSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(C)Cc2cn3c(n2)CCCC3)C[N@@H+]1C1CC1 ZINC000365366279 446169925 /nfs/dbraw/zinc/16/99/25/446169925.db2.gz RGYOSDFJUOPXDF-ZIAGYGMSSA-N 2 0 331.464 1.986 20 0 EDADRP O=C1OCC[C@H]2CC[NH+](CCCC[N@H+]3CC[C@H]4CCOC(=O)[C@H]43)[C@H]12 ZINC000369974928 446170732 /nfs/dbraw/zinc/17/07/32/446170732.db2.gz QPLXZPDKVCPMSZ-FZKCQIBNSA-N 2 0 336.432 1.041 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359363600 446174979 /nfs/dbraw/zinc/17/49/79/446174979.db2.gz RUEDCTHJXYFYDZ-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000359319188 446146892 /nfs/dbraw/zinc/14/68/92/446146892.db2.gz PWNMZEKNYLJJLS-OAHLLOKOSA-N 2 0 338.496 1.223 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366330382 446155837 /nfs/dbraw/zinc/15/58/37/446155837.db2.gz MGLFHFSEZUSSDI-OWYHZJEWSA-N 2 0 349.519 1.745 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000359396213 446198142 /nfs/dbraw/zinc/19/81/42/446198142.db2.gz XWOAZMIXYGVAQV-MRXNPFEDSA-N 2 0 340.512 1.212 20 0 EDADRP O=S(=O)(CC[NH+]1CCCC1)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000366424643 446206660 /nfs/dbraw/zinc/20/66/60/446206660.db2.gz AJLNSAKCBNYLBU-QGZVFWFLSA-N 2 0 343.537 1.752 20 0 EDADRP COCC[N@H+](CCCc1ccccc1)CCC(=O)N1CC[NH2+]CC1 ZINC000351621812 446217157 /nfs/dbraw/zinc/21/71/57/446217157.db2.gz FUYLAXUAHGFNNE-UHFFFAOYSA-N 2 0 333.476 1.390 20 0 EDADRP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CC[C@@H](C)C1 ZINC000362151050 446237764 /nfs/dbraw/zinc/23/77/64/446237764.db2.gz RKHVSVIEVLAUEC-QAPCUYQASA-N 2 0 337.508 1.866 20 0 EDADRP CCN(C(=O)C[N@@H+]1CC[C@@H](CN2CCOCC2)C1)C1CCCCC1 ZINC000365570332 446258202 /nfs/dbraw/zinc/25/82/02/446258202.db2.gz OHCCZGCUDIIDKG-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP Cc1nc(N[C@@H]2CC[NH+](C)[C@H](C)C2)nc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000359580753 446302930 /nfs/dbraw/zinc/30/29/30/446302930.db2.gz SJSMTAFAWWKVBD-OCVGTWLNSA-N 2 0 347.511 1.969 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000417337827 446346964 /nfs/dbraw/zinc/34/69/64/446346964.db2.gz JFRHKBZNLMMQFF-VYDXJSESSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c(=O)n1C ZINC000370533705 446321978 /nfs/dbraw/zinc/32/19/78/446321978.db2.gz ASLCWZHORNGWLL-FHLIZLRMSA-N 2 0 333.476 1.673 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000417337802 446346380 /nfs/dbraw/zinc/34/63/80/446346380.db2.gz JEVHSJLUGPVKBO-AYOQOUSVSA-N 2 0 342.487 1.827 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@@H]1c1cc[nH]n1)c1ccccc1 ZINC000370601611 446351943 /nfs/dbraw/zinc/35/19/43/446351943.db2.gz KMOUHEUIANOXJI-QZTJIDSGSA-N 2 0 341.459 1.966 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000374100302 446352987 /nfs/dbraw/zinc/35/29/87/446352987.db2.gz SGKUTVUVUJFGSD-UHFFFAOYSA-N 2 0 337.508 1.966 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H]2CCCc3nc[nH]c32)C[C@H](C)O1 ZINC000370605530 446353907 /nfs/dbraw/zinc/35/39/07/446353907.db2.gz AEFULRCSSXNIHQ-HZSPNIEDSA-N 2 0 334.464 1.834 20 0 EDADRP COCC1(CNC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)CC[NH2+]CC1 ZINC000417531961 446363159 /nfs/dbraw/zinc/36/31/59/446363159.db2.gz KDCAZFJXTWMQCT-HOTGVXAUSA-N 2 0 340.512 1.565 20 0 EDADRP COc1cccc(N2CCC([NH2+]C[C@H](C)N3CC[NH+](C)CC3)CC2)c1 ZINC000370628694 446363795 /nfs/dbraw/zinc/36/37/95/446363795.db2.gz LFMLBXXPTKYRJK-KRWDZBQOSA-N 2 0 346.519 1.890 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417544442 446363988 /nfs/dbraw/zinc/36/39/88/446363988.db2.gz MTXXWVXDYZBBSW-WMZOPIPTSA-N 2 0 347.507 1.402 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417580814 446365079 /nfs/dbraw/zinc/36/50/79/446365079.db2.gz GICLJQRFEQJFQI-OAHLLOKOSA-N 2 0 340.512 1.707 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)[C@@H](C)C1 ZINC000417667868 446369724 /nfs/dbraw/zinc/36/97/24/446369724.db2.gz HUJNDANRKUARGL-NXOAAHMSSA-N 2 0 340.512 1.421 20 0 EDADRP CCCN(C(=O)NC[C@H](C)C[NH+]1CCN(CC)CC1)[C@H]1CC[NH2+]C1 ZINC000417759237 446371768 /nfs/dbraw/zinc/37/17/68/446371768.db2.gz WBPXORNFHOCVAI-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000417932069 446389866 /nfs/dbraw/zinc/38/98/66/446389866.db2.gz MAKIYCSQOWYXDD-CABCVRRESA-N 2 0 333.480 1.762 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[C@H]1c1ccccc1 ZINC000417936830 446391232 /nfs/dbraw/zinc/39/12/32/446391232.db2.gz HUUHDMMOOSQIOU-FGTMMUONSA-N 2 0 328.460 1.968 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NC[C@@]2(C)CCC[NH2+]C2)ccn1 ZINC000417947979 446395981 /nfs/dbraw/zinc/39/59/81/446395981.db2.gz IMDNIJGOGLAFBZ-SFHVURJKSA-N 2 0 349.479 1.211 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NC[C@]2(C)CCC[NH2+]C2)cc1 ZINC000418059010 446427066 /nfs/dbraw/zinc/42/70/66/446427066.db2.gz SBDPSGMNUFIXIF-LJQANCHMSA-N 2 0 332.492 1.980 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCN(C(=O)Cc2ccccc2)C1 ZINC000423117860 446429590 /nfs/dbraw/zinc/42/95/90/446429590.db2.gz XPQWCORLAFKMII-MSOLQXFVSA-N 2 0 333.476 1.564 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H](C)[NH3+] ZINC000418077396 446434277 /nfs/dbraw/zinc/43/42/77/446434277.db2.gz STOKOINEXUEOHL-UXLLHSPISA-N 2 0 334.464 1.312 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)CCCO1 ZINC000418116594 446442240 /nfs/dbraw/zinc/44/22/40/446442240.db2.gz QOQOBYJNRJBYMV-DOTOQJQBSA-N 2 0 334.464 1.487 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000423191409 446448893 /nfs/dbraw/zinc/44/88/93/446448893.db2.gz STKPYQWWGJUWRC-PKOBYXMFSA-N 3 0 331.504 1.991 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)N1CCCO[C@@H](C[NH3+])C1)[NH+](C)C ZINC000418183185 446449125 /nfs/dbraw/zinc/44/91/25/446449125.db2.gz NUTQGURRJGRKCO-RYRKJORJSA-N 2 0 348.491 1.745 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000418184992 446451023 /nfs/dbraw/zinc/45/10/23/446451023.db2.gz AHISLZUMSNSPND-BPLDGKMQSA-N 2 0 340.418 1.931 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000370723719 446404150 /nfs/dbraw/zinc/40/41/50/446404150.db2.gz XNKYJKRCYKCYIL-QZTJIDSGSA-N 2 0 349.519 1.964 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982347 446406822 /nfs/dbraw/zinc/40/68/22/446406822.db2.gz AAQCONAKNDMWKI-SJLPKXTDSA-N 2 0 348.491 1.432 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000418011925 446415286 /nfs/dbraw/zinc/41/52/86/446415286.db2.gz LIFXDAYVSLDVJB-HHXXYDBFSA-N 2 0 330.476 1.887 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCCN2CCc3c(Cl)cccc3C2)C1 ZINC000418047476 446424225 /nfs/dbraw/zinc/42/42/25/446424225.db2.gz JEJFFBAHKALWNR-ZDUSSCGKSA-N 2 0 336.867 1.688 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418191166 446454331 /nfs/dbraw/zinc/45/43/31/446454331.db2.gz KKYGMACMSOVUKI-NRSFXHEJSA-N 2 0 328.460 1.510 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418189993 446454419 /nfs/dbraw/zinc/45/44/19/446454419.db2.gz IMTPFXBFFWDJNG-ZBFHGGJFSA-N 2 0 349.479 1.209 20 0 EDADRP Cn1cc(C(=O)NCC2([NH+](C)C)CCCC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423305084 446481889 /nfs/dbraw/zinc/48/18/89/446481889.db2.gz KCBZTZXWWPJQCB-CQSZACIVSA-N 2 0 333.480 1.491 20 0 EDADRP COC(=O)c1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420301965 446463588 /nfs/dbraw/zinc/46/35/88/446463588.db2.gz FNVSQHYMSRYBFQ-UHFFFAOYSA-N 2 0 331.416 1.487 20 0 EDADRP O=C(CN1CC[C@@H]2C[NH2+]C[C@H]2C1)NCCc1cccc2cccnc21 ZINC000420308346 446469742 /nfs/dbraw/zinc/46/97/42/446469742.db2.gz CZXJXNFRVCVEEB-MSOLQXFVSA-N 2 0 338.455 1.435 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420307827 446470730 /nfs/dbraw/zinc/47/07/30/446470730.db2.gz MTFZZZNQJRESSJ-FQUUOJAGSA-N 2 0 333.432 1.658 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000420309323 446471882 /nfs/dbraw/zinc/47/18/82/446471882.db2.gz DWLHMEJDCWPJII-ROUUACIJSA-N 3 0 336.524 1.443 20 0 EDADRP C[C@@H](CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000418257525 446475339 /nfs/dbraw/zinc/47/53/39/446475339.db2.gz NCPIKTOAFLXDKC-GHJWDPDVSA-N 2 0 340.418 1.660 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC000420311867 446475841 /nfs/dbraw/zinc/47/58/41/446475841.db2.gz IBUACZPCYTYWEU-JKSUJKDBSA-N 2 0 345.443 1.124 20 0 EDADRP C[NH2+]CCCNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418274748 446480102 /nfs/dbraw/zinc/48/01/02/446480102.db2.gz BMCJHUFFBWTKRH-LJQANCHMSA-N 2 0 330.476 1.904 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000420315349 446480446 /nfs/dbraw/zinc/48/04/46/446480446.db2.gz LXDGQIMFMMPGRM-ROUUACIJSA-N 2 0 332.492 1.609 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)CN2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000420317583 446483244 /nfs/dbraw/zinc/48/32/44/446483244.db2.gz ZMRRRZWGYRZSKB-BPUTZDHNSA-N 2 0 331.416 1.471 20 0 EDADRP C[C@@H](CNC(=O)c1c[nH]nc1[C@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423334016 446493231 /nfs/dbraw/zinc/49/32/31/446493231.db2.gz QGRNUTFDGAZOGW-ILXRZTDVSA-N 2 0 333.480 1.727 20 0 EDADRP COc1cc(C[NH+]2C[C@H](O)C[C@@H]2C)cc(C[N@@H+]2C[C@H](O)C[C@@H]2C)c1 ZINC000432772975 446502601 /nfs/dbraw/zinc/50/26/01/446502601.db2.gz YTOQFOHZAWGWJX-LBTBCDHLSA-N 2 0 334.460 1.605 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2cn(CCC[NH3+])nn2)c1 ZINC000423370531 446505520 /nfs/dbraw/zinc/50/55/20/446505520.db2.gz UIWABLHWCXYTGW-UHFFFAOYSA-N 2 0 344.463 1.397 20 0 EDADRP COc1ccc(NC(=O)[C@@H](C)[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000420336409 446506026 /nfs/dbraw/zinc/50/60/26/446506026.db2.gz MIDJIYDZPCNVQE-KFWWJZLASA-N 2 0 347.459 1.962 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000423388641 446513407 /nfs/dbraw/zinc/51/34/07/446513407.db2.gz UIOMNGCNCFJCAW-MAUKXSAKSA-N 2 0 333.476 1.674 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000418364766 446514658 /nfs/dbraw/zinc/51/46/58/446514658.db2.gz OGJJJOICXYQCAT-KRWDZBQOSA-N 2 0 339.528 1.173 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C[C@@H]1CC ZINC000418329566 446499989 /nfs/dbraw/zinc/49/99/89/446499989.db2.gz BIVZWCWGDPTBQK-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H](C)C[NH3+])CC2)cc1 ZINC000418478705 446558392 /nfs/dbraw/zinc/55/83/92/446558392.db2.gz XLITVRMVWBZDLP-OAHLLOKOSA-N 2 0 334.464 1.507 20 0 EDADRP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000367552960 446560929 /nfs/dbraw/zinc/56/09/29/446560929.db2.gz OSCMFSDPLUOSRI-OAGGEKHMSA-N 2 0 329.510 1.263 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CCO)C2CCCCC2)CC1 ZINC000411482934 446563532 /nfs/dbraw/zinc/56/35/32/446563532.db2.gz BEAPLNCMFFDLBT-QGZVFWFLSA-N 2 0 325.497 1.508 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@H](C)C[NH3+] ZINC000418492174 446563614 /nfs/dbraw/zinc/56/36/14/446563614.db2.gz PECUETOKIGNVPL-NVXWUHKLSA-N 2 0 333.480 1.672 20 0 EDADRP C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420389007 446565134 /nfs/dbraw/zinc/56/51/34/446565134.db2.gz NEOJCLQXVFVBPY-BDXSIMOUSA-N 2 0 349.519 1.724 20 0 EDADRP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@@H]2O)cc1 ZINC000423396910 446517203 /nfs/dbraw/zinc/51/72/03/446517203.db2.gz BTZQKEWAMRPGBY-LXZKKBNFSA-N 2 0 334.464 1.791 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)C1CCCCC1 ZINC000418377701 446520941 /nfs/dbraw/zinc/52/09/41/446520941.db2.gz JFOAWEMBQDJGGC-JKSUJKDBSA-N 2 0 326.485 1.040 20 0 EDADRP C[C@H](CCNC(=O)c1cn(CCC[NH3+])nn1)[N@H+](C)Cc1ccccc1 ZINC000423420119 446527017 /nfs/dbraw/zinc/52/70/17/446527017.db2.gz AWSLOMJAYIHOAS-OAHLLOKOSA-N 2 0 344.463 1.267 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C[NH3+])C2CC2)c1 ZINC000418399489 446529905 /nfs/dbraw/zinc/52/99/05/446529905.db2.gz LENMJXFUNUDEBL-KRWDZBQOSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(S(N)(=O)=O)c1 ZINC000423428461 446532208 /nfs/dbraw/zinc/53/22/08/446532208.db2.gz RHBMWGMPMKXIAU-IHRRRGAJSA-N 2 0 325.478 1.750 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000433137836 446535813 /nfs/dbraw/zinc/53/58/13/446535813.db2.gz VDCFQWMCIXMIDJ-NVXWUHKLSA-N 2 0 346.475 1.553 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418415573 446535848 /nfs/dbraw/zinc/53/58/48/446535848.db2.gz NWEYKSCWYIEABU-HKUYNNGSSA-N 2 0 348.491 1.296 20 0 EDADRP O=S(=O)(NC1CCCC1)[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000420363232 446542677 /nfs/dbraw/zinc/54/26/77/446542677.db2.gz BMFNEDNNWOVNOW-QGZVFWFLSA-N 2 0 343.537 1.703 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H](C)[NH3+] ZINC000423452976 446543819 /nfs/dbraw/zinc/54/38/19/446543819.db2.gz ZTMUYCDDQJEWTI-KXBFYZLASA-N 2 0 347.503 1.879 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC([C@@H](C)NC(C)=O)CC2)cc1 ZINC000420365084 446544530 /nfs/dbraw/zinc/54/45/30/446544530.db2.gz RUFPPSWNEZXTBI-KDOFPFPSSA-N 2 0 333.476 1.974 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000418447228 446545118 /nfs/dbraw/zinc/54/51/18/446545118.db2.gz QEIDYBRQBCOBIG-RDJZCZTQSA-N 2 0 336.480 1.971 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccc([C@H](C)[NH3+])cc2)CC[N@@H+]1CCOC ZINC000418456596 446550451 /nfs/dbraw/zinc/55/04/51/446550451.db2.gz FXRQGFSCCUWFRR-YJBOKZPZSA-N 2 0 348.491 1.959 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418601196 446610235 /nfs/dbraw/zinc/61/02/35/446610235.db2.gz UEBLWKMWWIYBOI-KANFNMMFSA-N 2 0 342.487 1.758 20 0 EDADRP CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(O)(C[NH3+])CC1)c1ccccc1 ZINC000420406723 446580271 /nfs/dbraw/zinc/58/02/71/446580271.db2.gz RVPFPJPRYWBLGS-WBVHZDCISA-N 2 0 333.476 1.818 20 0 EDADRP Cc1ccc(CC[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405975 446580462 /nfs/dbraw/zinc/58/04/62/446580462.db2.gz QFRBQHOJRBAGMD-OALUTQOASA-N 2 0 342.487 1.758 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000375102438 446581111 /nfs/dbraw/zinc/58/11/11/446581111.db2.gz TWSLCTGYDSFINM-SFHVURJKSA-N 2 0 342.487 1.990 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418619910 446618834 /nfs/dbraw/zinc/61/88/34/446618834.db2.gz CNDRVNWBIFUENA-QGZVFWFLSA-N 2 0 348.491 1.564 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000418555383 446591897 /nfs/dbraw/zinc/59/18/97/446591897.db2.gz DOPYDYYDGXUUAX-JQFCIGGWSA-N 2 0 334.464 1.595 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418563266 446595414 /nfs/dbraw/zinc/59/54/14/446595414.db2.gz SEBPWUVFRPTFIY-KRWDZBQOSA-N 2 0 347.507 1.183 20 0 EDADRP CC[C@@H](C(=O)N1CCN([C@H]2CC[NH2+]C2)CC1)[N@H+](C)Cc1ccccc1 ZINC000423638088 446620084 /nfs/dbraw/zinc/62/00/84/446620084.db2.gz DIDVPQUSFHXEMF-OALUTQOASA-N 2 0 344.503 1.403 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000418668929 446642086 /nfs/dbraw/zinc/64/20/86/446642086.db2.gz OSZSNYSZNJXFJC-WKILWMFISA-N 2 0 340.512 1.286 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=O)N2CC[NH+]3CCC2CC3)[C@H]1c1ccccc1 ZINC000375225432 446654425 /nfs/dbraw/zinc/65/44/25/446654425.db2.gz CQUXEHNTXTXSTE-QZTJIDSGSA-N 2 0 328.460 1.921 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N(C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000418733850 446658705 /nfs/dbraw/zinc/65/87/05/446658705.db2.gz RQLSRCUQCPNGDJ-GOSISDBHSA-N 2 0 347.507 1.183 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1CC ZINC000418732398 446659745 /nfs/dbraw/zinc/65/97/45/446659745.db2.gz JMTOASWWHXFESX-ZACQAIPSSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000423727847 446663892 /nfs/dbraw/zinc/66/38/92/446663892.db2.gz LCRWFJDCAYJELD-MQVJKMGUSA-N 2 0 343.475 1.693 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([NH3+])[C@H]3C)CC2)c1 ZINC000423646312 446623465 /nfs/dbraw/zinc/62/34/65/446623465.db2.gz LSUYEDUHKDERPB-AEFFLSMTSA-N 2 0 330.476 1.455 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000418633463 446624865 /nfs/dbraw/zinc/62/48/65/446624865.db2.gz IGTCKSAULRIUCR-SJLPKXTDSA-N 2 0 328.460 1.753 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418634666 446625130 /nfs/dbraw/zinc/62/51/30/446625130.db2.gz JMAWVEOQMHEECD-KRWDZBQOSA-N 2 0 330.476 1.999 20 0 EDADRP COCC1(CNC(=O)N2CC[NH+](C3CCCC3)CC2)CC[NH2+]CC1 ZINC000418640131 446627777 /nfs/dbraw/zinc/62/77/77/446627777.db2.gz NXDRVVUXNGZXCE-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCC1(COC)CC[NH2+]CC1 ZINC000418650957 446633357 /nfs/dbraw/zinc/63/33/57/446633357.db2.gz XJJUQJWWMWKZBA-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000423757971 446687004 /nfs/dbraw/zinc/68/70/04/446687004.db2.gz NFXSIDFNYCAQII-RBUKOAKNSA-N 2 0 344.503 1.357 20 0 EDADRP Cn1ccnc1CN1C[C@@H](F)C[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC000368248841 446738352 /nfs/dbraw/zinc/73/83/52/446738352.db2.gz CVZOISAHRCPLJE-GJZGRUSLSA-N 2 0 349.454 1.077 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2cccc3c2OCCCO3)CC1 ZINC000423762421 446691523 /nfs/dbraw/zinc/69/15/23/446691523.db2.gz QEZWIFFVRPUNAT-UHFFFAOYSA-N 2 0 347.459 1.667 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)nn1 ZINC000375291981 446698891 /nfs/dbraw/zinc/69/88/91/446698891.db2.gz JFEJRASUZDBHIR-PBHICJAKSA-N 2 0 349.479 1.697 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423822733 446712395 /nfs/dbraw/zinc/71/23/95/446712395.db2.gz JXSYLHJHTCKVHZ-QUCCMNQESA-N 2 0 345.487 1.736 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418822381 446727528 /nfs/dbraw/zinc/72/75/28/446727528.db2.gz MXXYICVEHGGDMG-HNNXBMFYSA-N 2 0 340.512 1.056 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423844409 446727956 /nfs/dbraw/zinc/72/79/56/446727956.db2.gz JDXYUMLTPZOEAV-GOSISDBHSA-N 2 0 345.487 1.865 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000423748354 446678958 /nfs/dbraw/zinc/67/89/58/446678958.db2.gz UHPQWPVFDWJXKC-GOSISDBHSA-N 2 0 336.524 1.395 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896080 446750913 /nfs/dbraw/zinc/75/09/13/446750913.db2.gz GFGWMJOZBJKTCX-NCXUSEDFSA-N 2 0 343.471 1.222 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000371303671 446760093 /nfs/dbraw/zinc/76/00/93/446760093.db2.gz PRSFVOMYMLNISU-MRXNPFEDSA-N 2 0 336.505 1.028 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000423931286 446784040 /nfs/dbraw/zinc/78/40/40/446784040.db2.gz LZQZNTFMUQQDHH-WDYCEAGBSA-N 2 0 347.507 1.651 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](c3cccc(F)c3)[C@H]([NH3+])C2)C1(C)C ZINC000424004524 446818869 /nfs/dbraw/zinc/81/88/69/446818869.db2.gz BFMMVTBAZGJQBQ-RCJHGTSTSA-N 2 0 349.450 1.611 20 0 EDADRP CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000438886905 446803326 /nfs/dbraw/zinc/80/33/26/446803326.db2.gz YIWBZMQIFLOMJH-RDJZCZTQSA-N 2 0 326.444 1.733 20 0 EDADRP CCN(CCCNC(=O)C(=O)N1CCC[C@@H]1C[NH2+]C)c1ccccc1 ZINC000418994322 446853342 /nfs/dbraw/zinc/85/33/42/446853342.db2.gz BMOFYPMEJGMPMV-QGZVFWFLSA-N 2 0 346.475 1.230 20 0 EDADRP CSCCONC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368447809 446868246 /nfs/dbraw/zinc/86/82/46/446868246.db2.gz VNOHZJXYAUIVHC-CQSZACIVSA-N 2 0 330.498 1.091 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000420921586 446889188 /nfs/dbraw/zinc/88/91/88/446889188.db2.gz VBRYDMZPJUVXGC-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000419104869 446926367 /nfs/dbraw/zinc/92/63/67/446926367.db2.gz NCQNLMSZPDHSPD-QGZVFWFLSA-N 2 0 346.475 1.136 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000419126109 446938298 /nfs/dbraw/zinc/93/82/98/446938298.db2.gz LXHUDSGOSBLLRV-CVEARBPZSA-N 2 0 340.512 1.117 20 0 EDADRP C[C@@H]1CCCN(C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[C@H]1C[NH3+] ZINC000419135826 446946197 /nfs/dbraw/zinc/94/61/97/446946197.db2.gz NTBALSNFRRRTSF-ILXRZTDVSA-N 2 0 340.512 1.055 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])C(C)(C)C ZINC000419138638 446950742 /nfs/dbraw/zinc/95/07/42/446950742.db2.gz SWNSLVVUUSZEOR-ZNMIVQPWSA-N 2 0 340.512 1.103 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)cc1F ZINC000454724930 446954392 /nfs/dbraw/zinc/95/43/92/446954392.db2.gz CPNNRMGLTQZRRJ-DOTOQJQBSA-N 2 0 334.439 1.733 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OC ZINC000442777320 446964506 /nfs/dbraw/zinc/96/45/06/446964506.db2.gz IWKGVEAOHYRRCU-OFQRWUPVSA-N 2 0 349.475 1.720 20 0 EDADRP Cc1cccc(C[NH+]2CCC(NC(=O)[C@@H]([NH3+])C3CCOCC3)CC2)c1 ZINC000375704171 446987920 /nfs/dbraw/zinc/98/79/20/446987920.db2.gz KTWKCOKVVILUBR-IBGZPJMESA-N 2 0 345.487 1.830 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443058011 447000129 /nfs/dbraw/zinc/00/01/29/447000129.db2.gz ISDLKHVCURNYEH-AWEZNQCLSA-N 2 0 332.448 1.388 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000443059598 447001074 /nfs/dbraw/zinc/00/10/74/447001074.db2.gz NEVUYIPMICXZEQ-CQSZACIVSA-N 2 0 339.867 1.896 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375902919 447135299 /nfs/dbraw/zinc/13/52/99/447135299.db2.gz GXHPYCWSVYMRHT-LJQANCHMSA-N 2 0 344.503 1.647 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NCC1CC[NH+](Cc2ccccc2F)CC1 ZINC000375911641 447142458 /nfs/dbraw/zinc/14/24/58/447142458.db2.gz HQHVCEXDUYFNCW-KRWDZBQOSA-N 2 0 349.450 1.532 20 0 EDADRP C[C@H]1C[C@H](NC(=O)C(=O)NCCC[N@H+](C)C2CCCCC2)CC[NH2+]1 ZINC000419410120 447158102 /nfs/dbraw/zinc/15/81/02/447158102.db2.gz OFJMSZWUWPXTFW-LSDHHAIUSA-N 2 0 338.496 1.014 20 0 EDADRP CON(C)C(=O)CC[N@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000377526797 447182058 /nfs/dbraw/zinc/18/20/58/447182058.db2.gz GWXFMMVKNKKZAB-UHFFFAOYSA-N 2 0 334.464 1.430 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000377536842 447188601 /nfs/dbraw/zinc/18/86/01/447188601.db2.gz XNQUNQFPUJJNCL-DFGXFYAUSA-N 2 0 345.443 1.028 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)Nc2ccnn2CC[NH+](C)C)CC1 ZINC000455661264 447200830 /nfs/dbraw/zinc/20/08/30/447200830.db2.gz UCJHBNQIIKNZAP-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](C(C)(C)COC)CC1 ZINC000425452998 447171462 /nfs/dbraw/zinc/17/14/62/447171462.db2.gz YFVQMNSQDCCYTM-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@]12C[C@H]1CCC2 ZINC000421757508 447240073 /nfs/dbraw/zinc/24/00/73/447240073.db2.gz NTLCNDALSRMSRZ-VQIMIIECSA-N 2 0 328.460 1.900 20 0 EDADRP CO[C@H](C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000379247376 447451256 /nfs/dbraw/zinc/45/12/56/447451256.db2.gz ZIJRXBPZPMXNRK-YTQUADARSA-N 2 0 345.487 1.954 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@@H]1CC[NH+](C2CC2)C1 ZINC000495185502 447480131 /nfs/dbraw/zinc/48/01/31/447480131.db2.gz UBFXVZYYCZEOAI-LSDHHAIUSA-N 2 0 336.480 1.118 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000390718408 447496254 /nfs/dbraw/zinc/49/62/54/447496254.db2.gz YSERPZXXUMCGHT-RBUKOAKNSA-N 2 0 335.492 1.621 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)C1 ZINC000422354117 447497514 /nfs/dbraw/zinc/49/75/14/447497514.db2.gz HMSCLQQSNJYVFE-CABCVRRESA-N 2 0 340.512 1.020 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000415538430 447503595 /nfs/dbraw/zinc/50/35/95/447503595.db2.gz JLSCOQWPNDYBON-INIZCTEOSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)CCCC(=O)NC(C)(C)C[NH+](C)C ZINC000457207745 447541982 /nfs/dbraw/zinc/54/19/82/447541982.db2.gz NEURVLNXKGVXMK-UHFFFAOYSA-N 2 0 328.501 1.070 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@H](O)C[NH+]1CCCCC1)C1CC1 ZINC000459135935 447591239 /nfs/dbraw/zinc/59/12/39/447591239.db2.gz BCHKWQWDOCXSQE-INIZCTEOSA-N 2 0 326.485 1.007 20 0 EDADRP COC(=O)[C@H]([N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C1(OC)CCC1 ZINC000459338261 447638318 /nfs/dbraw/zinc/63/83/18/447638318.db2.gz RPOQNIVNIGTETK-HOCLYGCPSA-N 2 0 342.480 1.122 20 0 EDADRP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1CCN1CC[NH2+]CC1 ZINC000404317332 447599163 /nfs/dbraw/zinc/59/91/63/447599163.db2.gz HTPJPYKCLKICCK-OTWHNJEPSA-N 2 0 330.520 1.875 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000420119382 447614109 /nfs/dbraw/zinc/61/41/09/447614109.db2.gz IZJWFZMXKHXFFQ-JKSUJKDBSA-N 2 0 340.512 1.070 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000420130555 447622420 /nfs/dbraw/zinc/62/24/20/447622420.db2.gz QLVAYAIAFDRWQP-CQSZACIVSA-N 2 0 334.464 1.123 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422631497 447679175 /nfs/dbraw/zinc/67/91/75/447679175.db2.gz FPNWOFXJRLTNAZ-NFAWXSAZSA-N 2 0 332.448 1.889 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1)[NH+]1CCOCC1 ZINC000416945266 447721395 /nfs/dbraw/zinc/72/13/95/447721395.db2.gz FDVVLSXKKDGOSO-XIRDDKMYSA-N 2 0 340.512 1.550 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)[NH+]1CCCC1 ZINC000416950082 447723218 /nfs/dbraw/zinc/72/32/18/447723218.db2.gz HQGCYKZWHAAABC-SJORKVTESA-N 2 0 340.512 1.565 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422712848 447723644 /nfs/dbraw/zinc/72/36/44/447723644.db2.gz OPOMDVUBLAKMHU-YLJYHZDGSA-N 2 0 346.519 1.291 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H](C)C3)cc2)CC1 ZINC000429138196 447729823 /nfs/dbraw/zinc/72/98/23/447729823.db2.gz DXLDCZVOGABIJO-YJBOKZPZSA-N 2 0 330.476 1.638 20 0 EDADRP COC(=O)[C@H](CC(C)C)[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000429154994 447731422 /nfs/dbraw/zinc/73/14/22/447731422.db2.gz IGMMIHMHQPFDGI-KRWDZBQOSA-N 2 0 327.513 1.922 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H](C[NH3+])C1 ZINC000417255680 447738470 /nfs/dbraw/zinc/73/84/70/447738470.db2.gz PZMCPYNCZHUXDD-BPKGMFCQSA-N 2 0 340.512 1.501 20 0 EDADRP COc1ccc(OC)c(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422765232 447744307 /nfs/dbraw/zinc/74/43/07/447744307.db2.gz QQRCDQOJGQJRRM-KZNAEPCWSA-N 2 0 334.460 1.993 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H]2Cc3ccccc3O2)CC[NH2+]CC1 ZINC000422801597 447753970 /nfs/dbraw/zinc/75/39/70/447753970.db2.gz CBSXIXBOMWDNAE-GDBMZVCRSA-N 2 0 332.444 1.901 20 0 EDADRP CN(C)C(=O)COc1ccccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459730484 447754318 /nfs/dbraw/zinc/75/43/18/447754318.db2.gz KGJFDQFCCYBOIX-INIZCTEOSA-N 2 0 333.476 1.975 20 0 EDADRP CC(C)(C[NH3+])C(=O)NC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000430783230 447784833 /nfs/dbraw/zinc/78/48/33/447784833.db2.gz LTMSDKPCOZVJKT-UHFFFAOYSA-N 2 0 337.439 1.770 20 0 EDADRP O[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)COCC1CC1 ZINC000422977988 447786345 /nfs/dbraw/zinc/78/63/45/447786345.db2.gz YEVPFNRQINQEBG-SZVBFZGTSA-N 2 0 332.444 1.619 20 0 EDADRP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422981779 447787076 /nfs/dbraw/zinc/78/70/76/447787076.db2.gz UHGCKNPVVZVMMJ-LXKKFAQKSA-N 2 0 329.488 1.742 20 0 EDADRP Cc1cc(S(=O)(=O)NCC[NH2+][C@H]2CCCC[C@@H]2C[NH3+])c(C)s1 ZINC000422996219 447788752 /nfs/dbraw/zinc/78/87/52/447788752.db2.gz LJKAWSOEWNOIGL-KGLIPLIRSA-N 2 0 345.534 1.750 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CCCS2(=O)=O)cc1 ZINC000423053506 447798762 /nfs/dbraw/zinc/79/87/62/447798762.db2.gz SQXGGTACIMBISJ-NVXWUHKLSA-N 2 0 337.489 1.834 20 0 EDADRP CC[C@H]([NH2+]C1CCN(S(=O)(=O)C(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423077282 447799927 /nfs/dbraw/zinc/79/99/27/447799927.db2.gz SUIFVXPVDZVMED-JKSUJKDBSA-N 2 0 331.526 1.699 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000471645901 447806790 /nfs/dbraw/zinc/80/67/90/447806790.db2.gz JOFJQJISNGQPFX-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H](c2nccn2C)C2CC2)CC[NH2+]CC1 ZINC000423113840 447807867 /nfs/dbraw/zinc/80/78/67/447807867.db2.gz ZIERQVOJCRXBMU-DZGCQCFKSA-N 2 0 334.464 1.782 20 0 EDADRP C[C@@H](CNc1ncc(Cl)c(NC[C@H](C)C[NH+](C)C)n1)C[NH+](C)C ZINC000489021192 447851385 /nfs/dbraw/zinc/85/13/85/447851385.db2.gz VBBWZZZNGGAYBA-STQMWFEESA-N 2 0 342.919 1.193 20 0 EDADRP C[N@@H+]1CCC[C@]2(CC[NH+](C[C@@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728587 447860745 /nfs/dbraw/zinc/86/07/45/447860745.db2.gz VRSCHMWEVFNHFA-ROUUACIJSA-N 2 0 341.496 1.680 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNc2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000486976629 447826774 /nfs/dbraw/zinc/82/67/74/447826774.db2.gz CWWMSQCHHSUNEN-HNNXBMFYSA-N 2 0 334.512 2.104 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H]2CCn3c(C)ncc3C2)CC1 ZINC000575842482 447909336 /nfs/dbraw/zinc/90/93/36/447909336.db2.gz GXDMOSWNLSAUBQ-HNNXBMFYSA-N 2 0 348.491 1.760 20 0 EDADRP C[NH+](C)CCCCC(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000552363161 447947914 /nfs/dbraw/zinc/94/79/14/447947914.db2.gz FBIKQIVGTGVPBR-UHFFFAOYSA-N 2 0 346.519 1.782 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CC[C@H]3OCC[NH2+][C@H]3C2)cc1)C1CC1 ZINC000575871496 447917390 /nfs/dbraw/zinc/91/73/90/447917390.db2.gz FGQOPJCZZYTMOQ-RBUKOAKNSA-N 2 0 343.471 1.874 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570395416 448002330 /nfs/dbraw/zinc/00/23/30/448002330.db2.gz OCXSXSQJRLKNQZ-BFYDXBDKSA-N 2 0 331.464 1.269 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000570395417 448002882 /nfs/dbraw/zinc/00/28/82/448002882.db2.gz OCXSXSQJRLKNQZ-HLLBOEOZSA-N 2 0 331.464 1.269 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000531056127 448009888 /nfs/dbraw/zinc/00/98/88/448009888.db2.gz MSLYRHULMBNYKZ-LJQANCHMSA-N 2 0 333.476 1.472 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000576290986 448021484 /nfs/dbraw/zinc/02/14/84/448021484.db2.gz VXNZUFZRSGRKML-RBUKOAKNSA-N 2 0 345.487 1.472 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1ccc2c(c1)OCCO2 ZINC000531357524 448069632 /nfs/dbraw/zinc/06/96/32/448069632.db2.gz RSLHSIOIQZWIPP-UHFFFAOYSA-N 2 0 349.475 1.342 20 0 EDADRP Cc1nccn1CCNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000576655822 448107575 /nfs/dbraw/zinc/10/75/75/448107575.db2.gz GMDHWJNUPDJWEY-UHFFFAOYSA-N 2 0 349.479 1.335 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)C1(CF)CCC1 ZINC000576876950 448160310 /nfs/dbraw/zinc/16/03/10/448160310.db2.gz NQBSCDUEOSDXIU-UHFFFAOYSA-N 2 0 334.439 1.850 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)CN(C)C(=O)OC(C)(C)C)C1 ZINC000497029961 448138692 /nfs/dbraw/zinc/13/86/92/448138692.db2.gz UCESPPWEXPEOPQ-HOTGVXAUSA-N 2 0 343.512 1.878 20 0 EDADRP CC[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000556723872 448145123 /nfs/dbraw/zinc/14/51/23/448145123.db2.gz BZRMOXCOSGMWMB-FHWLQOOXSA-N 2 0 345.487 1.734 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+][C@H]2CCCN(CCCO)C2)C1 ZINC000497065345 448170213 /nfs/dbraw/zinc/17/02/13/448170213.db2.gz QLYPGILDFLBVCG-JKSUJKDBSA-N 2 0 341.496 1.822 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)[C@@H]1CCC[NH+]1C1CC1 ZINC000556933256 448173373 /nfs/dbraw/zinc/17/33/73/448173373.db2.gz GWECCOJQVIDAFJ-SFHVURJKSA-N 2 0 330.476 1.989 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000571625458 448181716 /nfs/dbraw/zinc/18/17/16/448181716.db2.gz CSOJQAIPNJHKDI-BPQIPLTHSA-N 2 0 346.475 1.327 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000571759512 448200935 /nfs/dbraw/zinc/20/09/35/448200935.db2.gz VSRWAEMYQPQFEQ-GOSISDBHSA-N 2 0 345.491 1.756 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)C2)CC1 ZINC000514904787 448221217 /nfs/dbraw/zinc/22/12/17/448221217.db2.gz MVJWYOFTHRRIQT-ROUUACIJSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000562763019 448268567 /nfs/dbraw/zinc/26/85/67/448268567.db2.gz GQVQAKQJMCWJKN-AWEZNQCLSA-N 2 0 334.468 1.661 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]C2CCN(Cc3ccccn3)CC2)CC1 ZINC000577319555 448264445 /nfs/dbraw/zinc/26/44/45/448264445.db2.gz WIQYLNWSRBWMPY-UHFFFAOYSA-N 2 0 331.508 1.273 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000572104061 448285518 /nfs/dbraw/zinc/28/55/18/448285518.db2.gz MBFHITSALKWBJQ-DOTOQJQBSA-N 2 0 340.512 1.422 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)COC2CC[NH2+]CC2)CC1 ZINC000515301839 448287641 /nfs/dbraw/zinc/28/76/41/448287641.db2.gz DFQUJIXQLWAUNA-UHFFFAOYSA-N 2 0 346.475 1.536 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000515373668 448302279 /nfs/dbraw/zinc/30/22/79/448302279.db2.gz DVUXZHGVWFUUHZ-ROUUACIJSA-N 2 0 344.459 1.415 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000515645453 448339033 /nfs/dbraw/zinc/33/90/33/448339033.db2.gz YTFMUHIUQHFPCS-MRXNPFEDSA-N 2 0 331.464 1.413 20 0 EDADRP C[N@H+](CCC[NH3+])Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000515845916 448356530 /nfs/dbraw/zinc/35/65/30/448356530.db2.gz XIPQOJLMNJZQBL-UHFFFAOYSA-N 2 0 341.883 1.832 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000516024269 448370171 /nfs/dbraw/zinc/37/01/71/448370171.db2.gz NQJXQWTXBGVXCB-YJBOKZPZSA-N 2 0 344.503 1.854 20 0 EDADRP CN1C2(CCC2)COC[C@@]1(CO)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000527952790 448396367 /nfs/dbraw/zinc/39/63/67/448396367.db2.gz URSWHBUGNUPZHT-IBGZPJMESA-N 2 0 337.508 1.066 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000566179487 448405566 /nfs/dbraw/zinc/40/55/66/448405566.db2.gz OZEVBUQASULZQV-ZWKOTPCHSA-N 2 0 347.503 1.922 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC2CCN(CC[NH+](C)C)CC2)CC1 ZINC000516586225 448445110 /nfs/dbraw/zinc/44/51/10/448445110.db2.gz OHJFBPQVKIBNIW-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)c2conc2C(C)(C)[NH3+])CC1 ZINC000566471120 448485670 /nfs/dbraw/zinc/48/56/70/448485670.db2.gz NPOVZXYMNFBFLR-AWEZNQCLSA-N 2 0 349.479 1.111 20 0 EDADRP CN1CCN(C)[C@H](C[NH2+]C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C1 ZINC000517025517 448526694 /nfs/dbraw/zinc/52/66/94/448526694.db2.gz WAWIZQCVWKANOH-HZPDHXFCSA-N 2 0 345.409 1.444 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)C[C@H]1COc2ccccc2O1 ZINC000566895556 448578982 /nfs/dbraw/zinc/57/89/82/448578982.db2.gz PWENIDYIYQDJPD-HNNXBMFYSA-N 2 0 335.448 1.168 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](O)CC3(O)CCC3)CC2)CC1 ZINC000528525935 448569610 /nfs/dbraw/zinc/56/96/10/448569610.db2.gz GNRMZYUMKRMTEC-SFHVURJKSA-N 2 0 339.524 1.144 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CCN(c3cnccn3)CC2)CC1 ZINC000537957103 448575316 /nfs/dbraw/zinc/57/53/16/448575316.db2.gz REHODRPGIFQEHV-ROUUACIJSA-N 2 0 345.491 1.413 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CC[NH2+][C@H]3C)cc2)CC1 ZINC000566676098 448535767 /nfs/dbraw/zinc/53/57/67/448535767.db2.gz RVUOZEKDHKHADT-LPHOPBHVSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(N3CCCS3(=O)=O)c2)CC[NH2+]1 ZINC000517712882 448607699 /nfs/dbraw/zinc/60/76/99/448607699.db2.gz LSYARHHWOYVYID-ZBFHGGJFSA-N 2 0 337.489 1.704 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000573305694 448591535 /nfs/dbraw/zinc/59/15/35/448591535.db2.gz LHAIKWCAZLOJMA-GOSISDBHSA-N 2 0 346.475 1.825 20 0 EDADRP CC[NH+]1CCN([C@H]2CCN(C(=O)c3ccccc3CC[NH3+])C2)CC1 ZINC000573502415 448644301 /nfs/dbraw/zinc/64/43/01/448644301.db2.gz MKHQOAYDXNMRJO-KRWDZBQOSA-N 2 0 330.476 1.040 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CC[NH+]([C@@H]3CCCN(C)C3=O)CC2)C[C@H](C)O1 ZINC000540907945 448653728 /nfs/dbraw/zinc/65/37/28/448653728.db2.gz MRZSCSJQHPNEGS-SOLBZPMBSA-N 2 0 337.508 1.819 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000567264951 448654067 /nfs/dbraw/zinc/65/40/67/448654067.db2.gz UMUIPCOTTFPCDX-INIZCTEOSA-N 2 0 346.475 1.711 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573687438 448690902 /nfs/dbraw/zinc/69/09/02/448690902.db2.gz HVUQIPGOCLOYKA-GOSISDBHSA-N 2 0 330.476 1.017 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CCc2nc(-c3ccccc3)no2)CC12CCOCC2 ZINC000567502348 448704865 /nfs/dbraw/zinc/70/48/65/448704865.db2.gz ICVUBNABMSWKDZ-MRXNPFEDSA-N 2 0 342.443 1.966 20 0 EDADRP NC(=O)C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830839 448726122 /nfs/dbraw/zinc/72/61/22/448726122.db2.gz LFDRAPXYHGTXSF-KXBFYZLASA-N 2 0 329.444 1.878 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)NC[C@@H]1CCC[NH2+]C1 ZINC000519634083 448805968 /nfs/dbraw/zinc/80/59/68/448805968.db2.gz FCEXPYGJQCBEAD-MSOLQXFVSA-N 2 0 330.476 1.807 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)N[C@H]1CC[NH2+]C1 ZINC000529344658 448833960 /nfs/dbraw/zinc/83/39/60/448833960.db2.gz RNVHWTAHENILGG-ZWKOTPCHSA-N 2 0 330.476 1.900 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000519754850 448835987 /nfs/dbraw/zinc/83/59/87/448835987.db2.gz HSSDEZZEWKWYAO-MAUKXSAKSA-N 2 0 348.466 1.912 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC[N@@H+]1CCOC ZINC000529354864 448838370 /nfs/dbraw/zinc/83/83/70/448838370.db2.gz KMDGHKMSGIZKJY-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)NCCC[NH2+]Cc3cccnc3)c21 ZINC000592458562 448846683 /nfs/dbraw/zinc/84/66/83/448846683.db2.gz MLEYDJGBSDTKAN-OAHLLOKOSA-N 2 0 342.447 1.024 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000568372664 448863524 /nfs/dbraw/zinc/86/35/24/448863524.db2.gz GMPMNIOUHLEZIG-JQHSSLGASA-N 2 0 346.475 1.409 20 0 EDADRP CN(CCC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)c1cc[nH+]cc1 ZINC000547785105 448927985 /nfs/dbraw/zinc/92/79/85/448927985.db2.gz GKSZTXOAARBYSV-UHFFFAOYSA-N 2 0 347.507 1.440 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC([C@@H]4CCC[NH2+]4)CC3)c21 ZINC000592540783 448889083 /nfs/dbraw/zinc/88/90/83/448889083.db2.gz NBUZWQXQYNRZGU-HOCLYGCPSA-N 2 0 331.464 1.323 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3nc4c(s3)C[C@@H]([NH3+])CC4)c21 ZINC000592551336 448894898 /nfs/dbraw/zinc/89/48/98/448894898.db2.gz LEOCVLYKCHIDKJ-ZJUUUORDSA-N 2 0 346.460 1.244 20 0 EDADRP CC(C)(C)[C@@H](CO)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000520957149 448941129 /nfs/dbraw/zinc/94/11/29/448941129.db2.gz WBUOSBIZUBYIIY-GOSISDBHSA-N 2 0 347.503 1.895 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)nn1 ZINC000574739587 448944070 /nfs/dbraw/zinc/94/40/70/448944070.db2.gz RIMUENLBHMBIMK-QGZVFWFLSA-N 2 0 337.431 1.964 20 0 EDADRP CC(C)[C@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741346 448944437 /nfs/dbraw/zinc/94/44/37/448944437.db2.gz XBUUUOSSOZYPSV-IRXDYDNUSA-N 2 0 339.528 1.027 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000569337840 449005476 /nfs/dbraw/zinc/00/54/76/449005476.db2.gz WUBYHYIXMDRNNC-WDYCEAGBSA-N 2 0 333.476 1.910 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2CCn3ccnc3C2)cc1F ZINC000548279892 449012528 /nfs/dbraw/zinc/01/25/28/449012528.db2.gz NYEURDUWYXJAFW-HNNXBMFYSA-N 2 0 345.422 1.898 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)NC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592955929 449076526 /nfs/dbraw/zinc/07/65/26/449076526.db2.gz PTYYDQAKIKNSKQ-LSDHHAIUSA-N 2 0 335.496 1.960 20 0 EDADRP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000530220005 449084095 /nfs/dbraw/zinc/08/40/95/449084095.db2.gz AXAOJYLSXPCOOA-MSOLQXFVSA-N 2 0 347.438 1.771 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](C)[NH3+] ZINC000575177736 449054356 /nfs/dbraw/zinc/05/43/56/449054356.db2.gz UREUYTAJBNTKTF-PBHICJAKSA-N 2 0 333.480 1.069 20 0 EDADRP COc1cccc(C[N@H+](CCN2CC[NH2+]CC2)C[C@@H]2CCCO2)c1 ZINC000569605299 449056645 /nfs/dbraw/zinc/05/66/45/449056645.db2.gz KQDLJEWLAJHUHV-IBGZPJMESA-N 2 0 333.476 1.581 20 0 EDADRP CC(C)CN(C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)C(C)C ZINC000530240462 449092287 /nfs/dbraw/zinc/09/22/87/449092287.db2.gz LMTUUUNAACLLMC-SFHVURJKSA-N 2 0 339.524 1.970 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)nc1 ZINC000593737654 449172466 /nfs/dbraw/zinc/17/24/66/449172466.db2.gz SFONIYYUCJLISL-UXLLHSPISA-N 2 0 333.432 1.587 20 0 EDADRP COC(=O)[C@@]1(OC)CC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000600190555 449235002 /nfs/dbraw/zinc/23/50/02/449235002.db2.gz HDNVMYSOVPLELL-GOSISDBHSA-N 2 0 336.432 1.391 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)NC(=O)NCc2ccccc2)[C@@H]1CCC[NH3+] ZINC000595904506 449244963 /nfs/dbraw/zinc/24/49/63/449244963.db2.gz DWEVDHSLLCJZKT-NVXWUHKLSA-N 2 0 346.475 1.852 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000593913708 449282322 /nfs/dbraw/zinc/28/23/22/449282322.db2.gz YMDLGMKKNUTJJY-ROUUACIJSA-N 2 0 346.475 1.131 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC000606700655 449511177 /nfs/dbraw/zinc/51/11/77/449511177.db2.gz OBLBKGYBSDLWHP-RDJZCZTQSA-N 2 0 340.512 1.469 20 0 EDADRP COC(=O)c1csc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000602551454 449669058 /nfs/dbraw/zinc/66/90/58/449669058.db2.gz NOLZGGSCJNKPOO-CQSZACIVSA-N 2 0 326.462 1.861 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCOc2ccc(C[NH3+])cc21 ZINC000602575122 449683196 /nfs/dbraw/zinc/68/31/96/449683196.db2.gz BPWBTHPXKLUGLW-UHFFFAOYSA-N 2 0 337.489 1.946 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+]C[C@H](O)CN2CCc3ccccc3C2)C1 ZINC000601263941 449783921 /nfs/dbraw/zinc/78/39/21/449783921.db2.gz QSXZMWFXVLIJLI-FDYSRKEFSA-N 2 0 346.471 1.727 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000601328652 449836370 /nfs/dbraw/zinc/83/63/70/449836370.db2.gz WRTIITQMRDDOKT-JKSUJKDBSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)NC1CC[NH+](CCO)CC1 ZINC000601331640 449839345 /nfs/dbraw/zinc/83/93/45/449839345.db2.gz HIPQDMWAKFLHII-UHFFFAOYSA-N 2 0 348.491 1.217 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000602775019 449798316 /nfs/dbraw/zinc/79/83/16/449798316.db2.gz DBLPFLQHXCBEKR-IBGZPJMESA-N 2 0 329.488 1.971 20 0 EDADRP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000597178387 449855858 /nfs/dbraw/zinc/85/58/58/449855858.db2.gz RTNNHTKCMTVSJX-UHFFFAOYSA-N 2 0 335.448 1.782 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612966177 449961994 /nfs/dbraw/zinc/96/19/94/449961994.db2.gz NQMVBVGVSMHHOS-IAGOWNOFSA-N 2 0 330.476 1.601 20 0 EDADRP CN(CCC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C)c1cc[nH+]cc1 ZINC000615268339 450031947 /nfs/dbraw/zinc/03/19/47/450031947.db2.gz GWPINAJLHOQSCN-IRXDYDNUSA-N 2 0 332.448 1.230 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)[C@H]1CCOC1 ZINC000595341288 450053963 /nfs/dbraw/zinc/05/39/63/450053963.db2.gz VGFQHEWBDIALNI-OKZBNKHCSA-N 2 0 325.497 1.138 20 0 EDADRP COC(=O)CCN1CC[C@@H]([N@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000603122372 450082798 /nfs/dbraw/zinc/08/27/98/450082798.db2.gz VUHTUXOEPSDGRM-MRXNPFEDSA-N 2 0 339.480 1.348 20 0 EDADRP COC(=O)CCN1CCC[C@@H]([NH+]2CCC(c3c[nH]cn3)CC2)C1=O ZINC000595393285 450106673 /nfs/dbraw/zinc/10/66/73/450106673.db2.gz UGEKTAFBJFRHQF-OAHLLOKOSA-N 2 0 334.420 1.143 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000618560756 450244390 /nfs/dbraw/zinc/24/43/90/450244390.db2.gz MLXHGNYZMMCGRH-KRWDZBQOSA-N 2 0 336.455 1.993 20 0 EDADRP CC[C@H](C(=O)N1CCN(C(=O)[C@H](CC)[NH+](C)C)[C@H](C)[C@H]1C)[NH+](C)C ZINC000620748044 450538635 /nfs/dbraw/zinc/53/86/35/450538635.db2.gz WYUOZJPZNASEOV-FPCVCCKLSA-N 2 0 340.512 1.115 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21)c1ccccc1 ZINC000626140189 450581587 /nfs/dbraw/zinc/58/15/87/450581587.db2.gz RCNOJCDJYXVZHF-DODZYUBVSA-N 2 0 331.460 1.251 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NC[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000621106014 450581550 /nfs/dbraw/zinc/58/15/50/450581550.db2.gz CDAGOJLWVWZZBZ-SFHVURJKSA-N 2 0 336.524 1.252 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000631448602 450597915 /nfs/dbraw/zinc/59/79/15/450597915.db2.gz OAMZFAUBNLXERD-UHFFFAOYSA-N 2 0 341.463 2.089 20 0 EDADRP Cn1ccnc1N1CCN(c2nc3ccccc3n3cncc23)CC1 ZINC000623983013 450659540 /nfs/dbraw/zinc/65/95/40/450659540.db2.gz OJVMOIXXSLLSRF-UHFFFAOYSA-N 2 0 333.399 1.943 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N[C@@H]3CCC[N@@H+](C)C3)C2)cc1 ZINC000633080546 450667129 /nfs/dbraw/zinc/66/71/29/450667129.db2.gz CVWHPKUZBRXCOR-MSOLQXFVSA-N 2 0 330.476 1.963 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635126107 450670442 /nfs/dbraw/zinc/67/04/42/450670442.db2.gz UQXFKRLLFVPUBH-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP Nc1nc(NCc2cccc(C[NH+]3CCCCCC3)c2)nc(N)[nH+]1 ZINC000623909235 450632455 /nfs/dbraw/zinc/63/24/55/450632455.db2.gz MGSCIBRVEWIOBC-UHFFFAOYSA-N 2 0 327.436 1.107 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000627380649 450691736 /nfs/dbraw/zinc/69/17/36/450691736.db2.gz VMJZVYYUTPCWTL-CQSZACIVSA-N 2 0 334.464 1.039 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635148639 450694911 /nfs/dbraw/zinc/69/49/11/450694911.db2.gz HBYYISZVENNPEK-SFHVURJKSA-N 2 0 345.487 1.736 20 0 EDADRP O=C([C@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCC[NH+](Cc2ccccc2)CC1 ZINC000635161063 450705767 /nfs/dbraw/zinc/70/57/67/450705767.db2.gz XWOKJEQVDWVLMR-RBUKOAKNSA-N 2 0 343.471 1.584 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)[C@H](C)C1 ZINC000624113470 450710423 /nfs/dbraw/zinc/71/04/23/450710423.db2.gz GQBGEANGMROGQL-ILXRZTDVSA-N 2 0 329.452 1.023 20 0 EDADRP c1nnc2ccc(N3CC[C@H]([NH2+][C@@H]4CCC[C@@H]4[C@H]4CCC[NH2+]4)C3)nn12 ZINC000629523957 450724432 /nfs/dbraw/zinc/72/44/32/450724432.db2.gz OPDHXBRDXHBSON-ZJIFWQFVSA-N 2 0 341.463 1.213 20 0 EDADRP COc1ccc([C@H](CCn2cncn2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629524759 450725185 /nfs/dbraw/zinc/72/51/85/450725185.db2.gz OOJBKIHWHRXEET-KRWDZBQOSA-N 2 0 345.447 1.516 20 0 EDADRP C[N@H+](CC(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)CC(C)(C)C ZINC000635183367 450726872 /nfs/dbraw/zinc/72/68/72/450726872.db2.gz OIPUOVXMPZQFBY-UHFFFAOYSA-N 2 0 347.507 1.428 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](OCC[NH+]3CCCCC3)C2)CC[N@@H+]1C ZINC000631782039 450771387 /nfs/dbraw/zinc/77/13/87/450771387.db2.gz AGILOFCUKXMQDZ-OKZBNKHCSA-N 2 0 337.508 1.820 20 0 EDADRP c1ncn(-c2ccccc2C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)n1 ZINC000629672819 450777059 /nfs/dbraw/zinc/77/70/59/450777059.db2.gz SYXNNWHGUPMMNN-GOSISDBHSA-N 2 0 341.459 1.858 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)[NH+](C)C ZINC000635258255 450790161 /nfs/dbraw/zinc/79/01/61/450790161.db2.gz SXQJWTHSSLNGQA-SJLPKXTDSA-N 2 0 332.492 1.432 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635279335 450809565 /nfs/dbraw/zinc/80/95/65/450809565.db2.gz OSPKOGGZSBNTTO-KRWDZBQOSA-N 2 0 330.476 1.714 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2)CC1 ZINC000621698918 450839719 /nfs/dbraw/zinc/83/97/19/450839719.db2.gz IQKHAWCYGVLJJR-AZUAARDMSA-N 2 0 342.487 1.387 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCCCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000631835042 450804753 /nfs/dbraw/zinc/80/47/53/450804753.db2.gz LDESYMUOOGBDNQ-QZTJIDSGSA-N 2 0 332.492 1.609 20 0 EDADRP CCn1nccc1CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000621775101 450862691 /nfs/dbraw/zinc/86/26/91/450862691.db2.gz GEOGQOITCFAJLJ-WBVHZDCISA-N 2 0 333.480 1.026 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635347407 450871523 /nfs/dbraw/zinc/87/15/23/450871523.db2.gz ZONDZWWKQGHPTL-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000626919209 451003402 /nfs/dbraw/zinc/00/34/02/451003402.db2.gz DANGQUJRRWGPPT-WBVHZDCISA-N 2 0 332.448 1.493 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC1([NH3+])CCOCC1)c1cccs1 ZINC000626920545 451004559 /nfs/dbraw/zinc/00/45/59/451004559.db2.gz DMMVQJIDPGZGGL-GFCCVEGCSA-N 2 0 326.466 1.158 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000626922460 451005772 /nfs/dbraw/zinc/00/57/72/451005772.db2.gz YAZKZDUYLLUFBU-MRXNPFEDSA-N 2 0 334.464 1.822 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCC2([NH+]3CCSCC3)CCCC2)C[NH2+]1 ZINC000626939763 451021211 /nfs/dbraw/zinc/02/12/11/451021211.db2.gz NFZKFNXBQQJBNZ-GJZGRUSLSA-N 2 0 340.537 1.788 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[NH+](C)C)cc1 ZINC000635527335 451024599 /nfs/dbraw/zinc/02/45/99/451024599.db2.gz HCFDPQLTGRUCDY-FGTMMUONSA-N 2 0 330.476 1.998 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)CC1 ZINC000626965619 451038607 /nfs/dbraw/zinc/03/86/07/451038607.db2.gz JSTYXKYTRDIGMW-HDICACEKSA-N 2 0 338.496 1.128 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)CC1 ZINC000626971333 451042448 /nfs/dbraw/zinc/04/24/48/451042448.db2.gz FCWJFHZRXILKRC-KGLIPLIRSA-N 2 0 326.485 1.316 20 0 EDADRP C[NH2+]CCOCCNC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000626991771 451056836 /nfs/dbraw/zinc/05/68/36/451056836.db2.gz KCZLPANFGKHQSR-HNNXBMFYSA-N 2 0 342.871 1.478 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NC[C@H]3CCC[N@@H+]3C)ccc2[nH]c1=O ZINC000635559841 451057516 /nfs/dbraw/zinc/05/75/16/451057516.db2.gz WAXCFUWJRAISDV-CQSZACIVSA-N 2 0 345.447 1.128 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635559822 451058343 /nfs/dbraw/zinc/05/83/43/451058343.db2.gz WAGZTQTVYIEOBU-CYBMUJFWSA-N 2 0 347.463 1.374 20 0 EDADRP C[C@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627016635 451081347 /nfs/dbraw/zinc/08/13/47/451081347.db2.gz QYNIIYOQSDKSEN-IEBWSBKVSA-N 2 0 346.475 1.329 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C)CCC(F)(F)F ZINC000627019573 451084292 /nfs/dbraw/zinc/08/42/92/451084292.db2.gz IQRSIFZMSDCPJO-CYBMUJFWSA-N 2 0 338.418 1.900 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000627033365 451091681 /nfs/dbraw/zinc/09/16/81/451091681.db2.gz HYOALZAMQOFZDH-DOTOQJQBSA-N 2 0 336.480 1.521 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC1(C[NH3+])CCOCC1)[NH+](C)C ZINC000627033784 451092985 /nfs/dbraw/zinc/09/29/85/451092985.db2.gz TYKOYVPZMGUCJY-RDJZCZTQSA-N 2 0 348.491 1.793 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635613508 451105590 /nfs/dbraw/zinc/10/55/90/451105590.db2.gz AKPVHLVETZRCOW-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCC2([NH3+])CCCCC2)CC[C@H]1C(F)(F)F ZINC000627069501 451110103 /nfs/dbraw/zinc/11/01/03/451110103.db2.gz VGXRXCVADDZENB-NWDGAFQWSA-N 2 0 336.402 1.817 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CCC[NH2+]CC2)CC1 ZINC000627086036 451118499 /nfs/dbraw/zinc/11/84/99/451118499.db2.gz FKLRXGBSCKHNCF-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627151598 451150023 /nfs/dbraw/zinc/15/00/23/451150023.db2.gz IMIVZWBOYHMAKM-UHFFFAOYSA-N 2 0 340.493 1.329 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCCC[NH+]2CCCC2)CC1 ZINC000630394110 451163747 /nfs/dbraw/zinc/16/37/47/451163747.db2.gz FROAHPSXENTCMC-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP CCN(C(=O)NCCOCC[NH2+]C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627174847 451165074 /nfs/dbraw/zinc/16/50/74/451165074.db2.gz TWDGEJIJTCICNP-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)NCCOCCC[NH3+] ZINC000627214622 451191061 /nfs/dbraw/zinc/19/10/61/451191061.db2.gz TYLKVCJOLVOAPT-QGZVFWFLSA-N 2 0 348.491 1.658 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)NCCOCCC[NH3+])C2)CC1 ZINC000627214121 451191625 /nfs/dbraw/zinc/19/16/25/451191625.db2.gz WUSZTSKQEGKFJD-QGZVFWFLSA-N 2 0 340.512 1.505 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000635719420 451197156 /nfs/dbraw/zinc/19/71/56/451197156.db2.gz LKGSMDMQSXVHHG-AEFFLSMTSA-N 2 0 349.519 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634194199 451230938 /nfs/dbraw/zinc/23/09/38/451230938.db2.gz GTXJCZSOORLZRB-INIZCTEOSA-N 2 0 331.464 1.646 20 0 EDADRP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@]1(CO)CCOC1 ZINC000628366610 451229152 /nfs/dbraw/zinc/22/91/52/451229152.db2.gz URAQVWLBQOMUQW-IBGZPJMESA-N 2 0 334.460 1.744 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)c1cccc(C[NH+]2CCCCC2)c1 ZINC000640320532 451247278 /nfs/dbraw/zinc/24/72/78/451247278.db2.gz STTRGMCQZPGAGK-IBGZPJMESA-N 2 0 345.487 1.859 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000638084587 451247932 /nfs/dbraw/zinc/24/79/32/451247932.db2.gz FMPMEVZPVAZSAO-BJLQDIEVSA-N 2 0 345.487 1.434 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NC3CC[NH+](C4CC4)CC3)cn2)CC1 ZINC000636516364 451257654 /nfs/dbraw/zinc/25/76/54/451257654.db2.gz ADXJLQKOIMPRBG-UHFFFAOYSA-N 2 0 346.479 1.898 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)CCC3C[NH2+]C3)ccc2oc1=O ZINC000638091742 451257757 /nfs/dbraw/zinc/25/77/57/451257757.db2.gz XSINVDCZGXQMOG-UHFFFAOYSA-N 2 0 332.404 1.094 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC[C@H]1c1ccc(F)cc1 ZINC000634270130 451259785 /nfs/dbraw/zinc/25/97/85/451259785.db2.gz LWNBEELDYQZUMY-YESZJQIVSA-N 2 0 334.439 1.794 20 0 EDADRP COC[C@@H]([NH3+])Cc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630595588 451268728 /nfs/dbraw/zinc/26/87/28/451268728.db2.gz HFIKVNDSYDOGMK-SJORKVTESA-N 2 0 329.448 1.316 20 0 EDADRP COC[C@]1(C(=O)N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638127339 451298325 /nfs/dbraw/zinc/29/83/25/451298325.db2.gz CNXIKYBOQZYNKY-HQRMLTQVSA-N 2 0 345.487 1.924 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000638130934 451301913 /nfs/dbraw/zinc/30/19/13/451301913.db2.gz JWMMADJRIVYWIK-HHXXYDBFSA-N 2 0 333.476 1.780 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)cn2)CC1 ZINC000636596288 451336182 /nfs/dbraw/zinc/33/61/82/451336182.db2.gz LPPUDXHZJOCBQH-IRXDYDNUSA-N 2 0 346.479 1.898 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638135370 451308710 /nfs/dbraw/zinc/30/87/10/451308710.db2.gz TXUQSNHHYZPZRP-OKZBNKHCSA-N 2 0 331.460 1.473 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2=CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000638137387 451310819 /nfs/dbraw/zinc/31/08/19/451310819.db2.gz JSKUKARMWCNEEZ-MOPGFXCFSA-N 2 0 342.487 1.529 20 0 EDADRP [NH3+][C@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)C1CC1 ZINC000638155050 451325069 /nfs/dbraw/zinc/32/50/69/451325069.db2.gz RPKCRZWHUZJHMH-GGPKGHCWSA-N 2 0 343.471 1.379 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)NCC3([NH3+])CCC3)CC2)C[C@H](C)O1 ZINC000640451223 451325058 /nfs/dbraw/zinc/32/50/58/451325058.db2.gz LREGJKSKKAFNIG-GJZGRUSLSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160650 451328348 /nfs/dbraw/zinc/32/83/48/451328348.db2.gz IIOZXPGILOMJTA-KBXCAEBGSA-N 2 0 343.427 1.895 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638201578 451352526 /nfs/dbraw/zinc/35/25/26/451352526.db2.gz DAKYRJBORPMPGD-WMZOPIPTSA-N 2 0 344.503 1.484 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1nnn(C2CC[NH2+]CC2)c1C(F)F ZINC000638206229 451354835 /nfs/dbraw/zinc/35/48/35/451354835.db2.gz LJJWNIOPSYIZLB-ONGXEEELSA-N 2 0 342.394 1.011 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000635928378 451372341 /nfs/dbraw/zinc/37/23/41/451372341.db2.gz FMYOPRZFZZAXOB-HQRMLTQVSA-N 2 0 345.487 1.591 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635933077 451375935 /nfs/dbraw/zinc/37/59/35/451375935.db2.gz DROBIRQCKZGKIN-INIZCTEOSA-N 2 0 334.464 1.513 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cn1 ZINC000632544838 451387372 /nfs/dbraw/zinc/38/73/72/451387372.db2.gz ODNRIJGJMGKOMM-UHFFFAOYSA-N 2 0 347.507 1.853 20 0 EDADRP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638277857 451396424 /nfs/dbraw/zinc/39/64/24/451396424.db2.gz WKLXWDWKDJLHHX-ROUUACIJSA-N 2 0 332.492 1.388 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749185 451396764 /nfs/dbraw/zinc/39/67/64/451396764.db2.gz IIYUPJFIMVYRLD-AZUAARDMSA-N 2 0 345.487 1.472 20 0 EDADRP C[C@@H]1CN(CCNC(=O)Nc2cc(C[NH+](C)C)ccn2)[C@H](C)CO1 ZINC000640576514 451420241 /nfs/dbraw/zinc/42/02/41/451420241.db2.gz WEAYLYPPLAYKAN-ZIAGYGMSSA-N 2 0 335.452 1.374 20 0 EDADRP C[N@H+](CCC[NH2+]C[C@H](O)CC1(O)CCOCC1)C1CCCCC1 ZINC000634640646 451432240 /nfs/dbraw/zinc/43/22/40/451432240.db2.gz DBQQGIXUKYMVKR-QGZVFWFLSA-N 2 0 328.497 1.523 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000638328439 451436187 /nfs/dbraw/zinc/43/61/87/451436187.db2.gz ISUQVCNOGFSWCC-NJAFHUGGSA-N 2 0 331.460 1.556 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cc2c(cn1)OCCO2)N1CC[NH+](C)CC1 ZINC000638352903 451454093 /nfs/dbraw/zinc/45/40/93/451454093.db2.gz ORLUWFNFNLJKPN-INIZCTEOSA-N 2 0 334.464 1.214 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCCNC(=O)C2)[C@H](c2ccccc2)C1 ZINC000638356211 451457273 /nfs/dbraw/zinc/45/72/73/451457273.db2.gz XWQVHYTXYFCFGW-OALUTQOASA-N 2 0 344.503 1.624 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1 ZINC000638399572 451487477 /nfs/dbraw/zinc/48/74/77/451487477.db2.gz IXIVCZDDIAGBBD-KSZLIROESA-N 2 0 331.460 1.698 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000638400625 451489447 /nfs/dbraw/zinc/48/94/47/451489447.db2.gz SHSAQGUBQCENFI-FHWLQOOXSA-N 2 0 344.503 1.579 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ncnn3C)CC2)c1 ZINC000638336437 451441563 /nfs/dbraw/zinc/44/15/63/451441563.db2.gz AEZWUSJIZREBAB-UHFFFAOYSA-N 2 0 342.491 1.816 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)cc1 ZINC000638411932 451498204 /nfs/dbraw/zinc/49/82/04/451498204.db2.gz GMESORVTEOMGEJ-BZSNNMDCSA-N 2 0 333.476 1.987 20 0 EDADRP Cc1nnsc1CNCc1ccccc1OCCN1CCOCC1 ZINC000638437016 451514592 /nfs/dbraw/zinc/51/45/92/451514592.db2.gz PAHWEMNXLAWMPJ-UHFFFAOYSA-N 2 0 348.472 1.847 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000638490293 451541792 /nfs/dbraw/zinc/54/17/92/451541792.db2.gz UQWRURJQAXPKBA-MSOLQXFVSA-N 2 0 330.476 1.750 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)C[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638512485 451552137 /nfs/dbraw/zinc/55/21/37/451552137.db2.gz GOFCOJQLQPEZIU-MOPGFXCFSA-N 2 0 345.487 1.734 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)c2ccc(C[NH3+])cc2)cc1 ZINC000638524781 451557068 /nfs/dbraw/zinc/55/70/68/451557068.db2.gz RSOJSJAFZAJMLW-UHFFFAOYSA-N 2 0 340.427 1.689 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000638526123 451558493 /nfs/dbraw/zinc/55/84/93/451558493.db2.gz FFFACYIRBKEIGQ-CVEARBPZSA-N 2 0 332.448 1.305 20 0 EDADRP C[C@H](CC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000638550582 451572063 /nfs/dbraw/zinc/57/20/63/451572063.db2.gz SFLCSAIRANNJGY-SYQHCUMBSA-N 2 0 335.414 1.998 20 0 EDADRP C[C@H](CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)Cc1ccccc1 ZINC000636878268 451577259 /nfs/dbraw/zinc/57/72/59/451577259.db2.gz PSWIJFWYIILXNC-AEFFLSMTSA-N 2 0 348.491 1.263 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2cccc3c2C[NH2+]C3)CC[C@@H]1C(F)(F)F ZINC000638561113 451577886 /nfs/dbraw/zinc/57/78/86/451577886.db2.gz GDIJAJKWNZNEKW-RISCZKNCSA-N 2 0 327.350 1.889 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000638572451 451583790 /nfs/dbraw/zinc/58/37/90/451583790.db2.gz LPHPJXQYTWQACH-GUTXKFCHSA-N 2 0 340.265 1.880 20 0 EDADRP COc1cncc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1C ZINC000631101115 451584028 /nfs/dbraw/zinc/58/40/28/451584028.db2.gz CHYDPKQOOFHVPH-INIZCTEOSA-N 2 0 336.480 1.581 20 0 EDADRP CC1(C(=O)NC[C@H]2COCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000638615659 451609120 /nfs/dbraw/zinc/60/91/20/451609120.db2.gz DVXZQDISJYAFRO-KRWDZBQOSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[NH2+]1 ZINC000638644829 451628528 /nfs/dbraw/zinc/62/85/28/451628528.db2.gz SKGCULPZKXIKLK-YJBOKZPZSA-N 2 0 330.476 1.304 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccnc(N2CCSCC2)c1 ZINC000635010866 451648054 /nfs/dbraw/zinc/64/80/54/451648054.db2.gz WKZXXSWCVGVGAP-CWRNSKLLSA-N 2 0 336.505 1.477 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)C34CCC[NH+](CCC3)C4)cn2)CC1 ZINC000636314292 451674954 /nfs/dbraw/zinc/67/49/54/451674954.db2.gz LWJPZRLZWUIRKR-UHFFFAOYSA-N 2 0 331.464 1.964 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000638780011 451688855 /nfs/dbraw/zinc/68/88/55/451688855.db2.gz NMOADHJWQCWWPP-FBVQUNGASA-N 2 0 335.492 1.524 20 0 EDADRP C[C@H](CC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000638780802 451689441 /nfs/dbraw/zinc/68/94/41/451689441.db2.gz WTSSKKNIRSLDNF-KBAYOESNSA-N 2 0 337.508 1.629 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCOC1 ZINC000638800763 451694885 /nfs/dbraw/zinc/69/48/85/451694885.db2.gz PUCCLALDBSXGNH-PKOBYXMFSA-N 2 0 331.460 1.380 20 0 EDADRP O=C(CN1CC[NH2+]CC1)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638851664 451710309 /nfs/dbraw/zinc/71/03/09/451710309.db2.gz ORUJWDHLUAXXQQ-IBGZPJMESA-N 2 0 344.503 1.453 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000638860796 451713867 /nfs/dbraw/zinc/71/38/67/451713867.db2.gz GLQSLVLFRBYRPT-CQSZACIVSA-N 2 0 331.464 1.577 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)NCC[NH+]3CCCCC3)cn2)CC1 ZINC000636502094 451739268 /nfs/dbraw/zinc/73/92/68/451739268.db2.gz ZKBMLIUELZEOTN-UHFFFAOYSA-N 2 0 334.468 1.757 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@H]2CCC[NH2+]CC2)c1 ZINC000641042149 451739841 /nfs/dbraw/zinc/73/98/41/451739841.db2.gz GUMCHOGFGJULOL-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP COC1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC[NH2+]CC1 ZINC000639004367 451751158 /nfs/dbraw/zinc/75/11/58/451751158.db2.gz HDBRKZKGDFIZCQ-KRWDZBQOSA-N 2 0 331.460 1.454 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@H]([NH3+])CC3)cc2)CC1 ZINC000639043610 451756586 /nfs/dbraw/zinc/75/65/86/451756586.db2.gz VBZAADLJKYQOKR-QAQDUYKDSA-N 2 0 330.476 1.828 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@]12CCCO2 ZINC000639058834 451759581 /nfs/dbraw/zinc/75/95/81/451759581.db2.gz GKNCDPLIDYHMJT-JFIYKMOQSA-N 2 0 326.481 1.538 20 0 EDADRP COc1cncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1C ZINC000639169050 451783985 /nfs/dbraw/zinc/78/39/85/451783985.db2.gz ASVXRJIIVTUARO-UHFFFAOYSA-N 2 0 332.492 1.858 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc([C@@H]([NH3+])c2ccc(Cl)cc2)nn1 ZINC000641220725 451786980 /nfs/dbraw/zinc/78/69/80/451786980.db2.gz DXFLDXIPXOYMLC-HOCLYGCPSA-N 2 0 337.855 1.681 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)Cn1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000641220993 451787049 /nfs/dbraw/zinc/78/70/49/451787049.db2.gz IHJSDMHWYSANEU-INIZCTEOSA-N 2 0 333.436 1.017 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C[C@H](c2nnc[nH]2)c2ccccc2)CC1 ZINC000639235441 451796616 /nfs/dbraw/zinc/79/66/16/451796616.db2.gz IXYLDYYHWNCYBU-KRWDZBQOSA-N 2 0 343.475 1.762 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642015730 451805758 /nfs/dbraw/zinc/80/57/58/451805758.db2.gz XIDBVYZMZQTLIZ-KRWDZBQOSA-N 2 0 338.496 1.272 20 0 EDADRP CC(C)[C@@H](C(=O)N1CN(CC[NH+](C)C)C(=O)[C@@H]1C)[NH+]1CCCCC1 ZINC000649077099 451820261 /nfs/dbraw/zinc/82/02/61/451820261.db2.gz LWSQLSUQFYZXJW-HOTGVXAUSA-N 2 0 338.496 1.075 20 0 EDADRP Cc1cc(NC(=O)CC[NH2+]Cc2cccc(OCC[NH+](C)C)c2)no1 ZINC000644543777 451851867 /nfs/dbraw/zinc/85/18/67/451851867.db2.gz VZBMWJNXEIZKRZ-UHFFFAOYSA-N 2 0 346.431 2.042 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H]1CCC[NH2+]CC1)CC(C)C ZINC000642531636 451887757 /nfs/dbraw/zinc/88/77/57/451887757.db2.gz NGMMAVDWHOQTTE-CVEARBPZSA-N 2 0 340.512 1.117 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCc2cnccn2)CC1 ZINC000639500280 451905785 /nfs/dbraw/zinc/90/57/85/451905785.db2.gz MQVAWKAEYURSKA-UHFFFAOYSA-N 2 0 347.507 1.435 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000637518641 451921275 /nfs/dbraw/zinc/92/12/75/451921275.db2.gz JSNHLCNDXGUGIH-XKQJLSEDSA-N 2 0 334.464 1.567 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCN3CCc4ccccc43)CC2)C1 ZINC000644675996 451932973 /nfs/dbraw/zinc/93/29/73/451932973.db2.gz KJTKGKULYCRJRK-LJQANCHMSA-N 2 0 328.504 1.761 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)[C@@H]2C1 ZINC000646916772 451934126 /nfs/dbraw/zinc/93/41/26/451934126.db2.gz QGBIVKCCYYYPEC-PKOBYXMFSA-N 2 0 342.487 1.361 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@]2(N)CC[N@@H+](C)C2)CC1 ZINC000649287837 451960757 /nfs/dbraw/zinc/96/07/57/451960757.db2.gz BUVACLPDYNDUDU-IBGZPJMESA-N 2 0 330.476 1.109 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@H]2C[N@H+](C)C[C@H]21)c1ccccc1 ZINC000644734462 451961687 /nfs/dbraw/zinc/96/16/87/451961687.db2.gz PYVYYJIFONXPAH-OKZBNKHCSA-N 2 0 330.476 1.041 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000649293396 451968657 /nfs/dbraw/zinc/96/86/57/451968657.db2.gz RLOGXOSCDPQZPZ-KBPBESRZSA-N 2 0 329.366 1.789 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CC1 ZINC000649294223 451971317 /nfs/dbraw/zinc/97/13/17/451971317.db2.gz FJBGSTBZJBEHSL-INIZCTEOSA-N 2 0 348.495 1.397 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)COC2(C)C[NH2+]C2)cc1Cl ZINC000649305967 451983697 /nfs/dbraw/zinc/98/36/97/451983697.db2.gz QWNFFZKKPATDLZ-UHFFFAOYSA-N 2 0 341.839 1.597 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000649320253 451999444 /nfs/dbraw/zinc/99/94/44/451999444.db2.gz RVTSFRDXYGHTJU-HKUYNNGSSA-N 2 0 337.508 1.870 20 0 EDADRP COC[C@]1(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CCC[NH2+]1 ZINC000649320255 452000201 /nfs/dbraw/zinc/00/02/01/452000201.db2.gz RVTSFRDXYGHTJU-MJGOQNOKSA-N 2 0 337.508 1.870 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)CC[C@@H]1[NH3+] ZINC000647009927 452003258 /nfs/dbraw/zinc/00/32/58/452003258.db2.gz KUIBGPLGDCELAH-SQNIBIBYSA-N 2 0 330.476 1.879 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]([NH+]4CC=CC4)C3)cn2)CC1 ZINC000637669566 452010410 /nfs/dbraw/zinc/01/04/10/452010410.db2.gz NUUQDURVMIAUMP-QGZVFWFLSA-N 2 0 344.463 1.628 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)COC2(C)C[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000649330076 452011752 /nfs/dbraw/zinc/01/17/52/452011752.db2.gz UXWGQPLXQAMQMG-WMZOPIPTSA-N 2 0 345.487 1.876 20 0 EDADRP COC[C@@]1(C(=O)N2CC[C@@H](C)[N@H+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649344889 452026728 /nfs/dbraw/zinc/02/67/28/452026728.db2.gz WKMRVSMCGAVTPL-YLJYHZDGSA-N 2 0 345.487 1.878 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000649352821 452037007 /nfs/dbraw/zinc/03/70/07/452037007.db2.gz OJYDPPFAMWMFPP-MSOLQXFVSA-N 2 0 330.476 1.233 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352628 452037830 /nfs/dbraw/zinc/03/78/30/452037830.db2.gz AXFOJUBHPBDJIN-IEBWSBKVSA-N 2 0 330.476 1.099 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000647083856 452050920 /nfs/dbraw/zinc/05/09/20/452050920.db2.gz YYBPBJJKTCXAEW-UONOGXRCSA-N 2 0 344.381 1.690 20 0 EDADRP Cn1cc(N2CC[C@H]([N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)C2=O)cn1 ZINC000649417944 452079403 /nfs/dbraw/zinc/07/94/03/452079403.db2.gz PUHOCXZZQPJQMD-INMHGKMJSA-N 2 0 331.464 1.237 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000637799978 452088930 /nfs/dbraw/zinc/08/89/30/452088930.db2.gz UNXQBDXXXFCBKU-IEBWSBKVSA-N 2 0 333.476 1.941 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N3CCC(C[NH3+])CC3)ccc2[nH]c1=O ZINC000637804139 452090164 /nfs/dbraw/zinc/09/01/64/452090164.db2.gz MYQPXQSCLVKVPZ-UHFFFAOYSA-N 2 0 345.447 1.114 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000637823144 452101599 /nfs/dbraw/zinc/10/15/99/452101599.db2.gz IPAOARLBJOTZGD-QGZVFWFLSA-N 2 0 341.415 1.138 20 0 EDADRP [NH3+]C[C@H](NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)C1CC1 ZINC000637854061 452116586 /nfs/dbraw/zinc/11/65/86/452116586.db2.gz CSGCPYCRPJNESG-KRWDZBQOSA-N 2 0 330.476 1.224 20 0 EDADRP CC(C)([NH3+])CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000637858071 452117789 /nfs/dbraw/zinc/11/77/89/452117789.db2.gz UXGQGIAUONPSCN-QFBILLFUSA-N 2 0 331.460 1.379 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)cc1 ZINC000637861033 452119541 /nfs/dbraw/zinc/11/95/41/452119541.db2.gz QXQVTQCAUPTJFP-DNVCBOLYSA-N 2 0 340.471 1.782 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000643294141 452120675 /nfs/dbraw/zinc/12/06/75/452120675.db2.gz GPMMSJDWWLJXMN-IKGGRYGDSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)c1[nH+]c(CN2CCN(CC[NH+](C)C)C(=O)C2)c2ccccn21 ZINC000651890983 452148667 /nfs/dbraw/zinc/14/86/67/452148667.db2.gz BMIITTXYIONQPV-UHFFFAOYSA-N 2 0 343.475 1.664 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H](n2ccnn2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000639818008 452150043 /nfs/dbraw/zinc/15/00/43/452150043.db2.gz YEBOGGHXLWJTQT-KRWDZBQOSA-N 2 0 346.479 1.048 20 0 EDADRP Nc1nc(NCC[N@@H+]2CCc3sccc3C2)c2c([nH+]1)CCCC2 ZINC000645134309 452169472 /nfs/dbraw/zinc/16/94/72/452169472.db2.gz BTKLPDIODSKGOS-UHFFFAOYSA-N 2 0 329.473 1.891 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)o1 ZINC000647488940 452233080 /nfs/dbraw/zinc/23/30/80/452233080.db2.gz CGDAFYBEKNQZLV-CQSZACIVSA-N 2 0 345.447 1.275 20 0 EDADRP CCN(C(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[C@H]1CC[N@H+](CC)C1 ZINC000663554165 452262576 /nfs/dbraw/zinc/26/25/76/452262576.db2.gz QZPAZVJJZBFLCI-ZACQAIPSSA-N 2 0 340.512 1.611 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC1CC[NH2+]CC1 ZINC000643497426 452267519 /nfs/dbraw/zinc/26/75/19/452267519.db2.gz SRENNLZZKJYLPZ-CYBMUJFWSA-N 2 0 325.478 1.601 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(Br)s1 ZINC000643500002 452270483 /nfs/dbraw/zinc/27/04/83/452270483.db2.gz CXOQPMOJIVFYLH-SECBINFHSA-N 2 0 332.267 1.593 20 0 EDADRP O=C(CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)N1CC[NH2+]CC1 ZINC000643500402 452270547 /nfs/dbraw/zinc/27/05/47/452270547.db2.gz CALKDNUACQXFEH-LDLYASANSA-N 2 0 342.487 1.203 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000659430483 452275349 /nfs/dbraw/zinc/27/53/49/452275349.db2.gz ACSXRIKQUNOSSW-UHFFFAOYSA-N 2 0 329.448 1.179 20 0 EDADRP C[N@@H+](Cc1ccc(S(N)(=O)=O)cc1F)CC1CC[NH+](C)CC1 ZINC000638029888 452278565 /nfs/dbraw/zinc/27/85/65/452278565.db2.gz XDVCYMBDFNWERX-UHFFFAOYSA-N 2 0 329.441 1.247 20 0 EDADRP CC(C)(CNC(=O)N1CC2CC1(C[NH3+])C2)[N@@H+]1CCc2ccccc2C1 ZINC000659437602 452283752 /nfs/dbraw/zinc/28/37/52/452283752.db2.gz DZBRAIWIKMXEDE-UHFFFAOYSA-N 2 0 342.487 1.956 20 0 EDADRP C[C@H](CC(=O)NC[C@@H](C)N1C[C@@H](C)O[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000655488399 452284807 /nfs/dbraw/zinc/28/48/07/452284807.db2.gz YQOAQEXIRNPRSX-OVYGPGRDSA-N 2 0 325.497 1.626 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000659438908 452286829 /nfs/dbraw/zinc/28/68/29/452286829.db2.gz DMNKQPDQTGDVEJ-QGZVFWFLSA-N 2 0 347.507 1.496 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000659440023 452289016 /nfs/dbraw/zinc/28/90/16/452289016.db2.gz OSTDVXXODUOXCI-UHFFFAOYSA-N 2 0 329.448 1.179 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CCC[NH2+]1 ZINC000641812422 452292598 /nfs/dbraw/zinc/29/25/98/452292598.db2.gz HFBVOHPZMALKCJ-QGZVFWFLSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000659454693 452306069 /nfs/dbraw/zinc/30/60/69/452306069.db2.gz MRVLZRYNDWYQCJ-IAGOWNOFSA-N 2 0 334.439 1.665 20 0 EDADRP C[C@@H](OCC1CC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606711 452332186 /nfs/dbraw/zinc/33/21/86/452332186.db2.gz FJWCBVZDSFTCOW-MRXNPFEDSA-N 2 0 345.487 1.911 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NCc2ccccc2C[NH+]2CCCC2)CCCOC1 ZINC000638053643 452334072 /nfs/dbraw/zinc/33/40/72/452334072.db2.gz LIGWVSCZUIVXIK-IBGZPJMESA-N 2 0 331.460 1.654 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@H]1F ZINC000659477523 452337721 /nfs/dbraw/zinc/33/77/21/452337721.db2.gz JVNMZFFMICWJNA-HZPDHXFCSA-N 2 0 335.427 1.379 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652145035 452337934 /nfs/dbraw/zinc/33/79/34/452337934.db2.gz ASEPSXTUAFBVLB-NXOAAHMSSA-N 2 0 340.512 1.645 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1)Cc1ccccc1 ZINC000638064834 452364809 /nfs/dbraw/zinc/36/48/09/452364809.db2.gz OQCSUKDFJIXESP-BJLQDIEVSA-N 2 0 347.503 1.823 20 0 EDADRP [NH3+]C[C@]1(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CCCOC1 ZINC000638067625 452369734 /nfs/dbraw/zinc/36/97/34/452369734.db2.gz SGDXTMIIDQEEKX-LJQANCHMSA-N 2 0 347.459 1.337 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000663630133 452369841 /nfs/dbraw/zinc/36/98/41/452369841.db2.gz NAMQATVRHZKNOY-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP COC[C@]1(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)CCCC[NH2+]1 ZINC000638066199 452370677 /nfs/dbraw/zinc/37/06/77/452370677.db2.gz FOWUONGOZYCMGQ-WMZOPIPTSA-N 2 0 325.497 1.773 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCCC1 ZINC000659518763 452382997 /nfs/dbraw/zinc/38/29/97/452382997.db2.gz ZWASAYDYVFNJRC-SJORKVTESA-N 2 0 338.496 1.447 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NCC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000659536247 452396676 /nfs/dbraw/zinc/39/66/76/452396676.db2.gz HDBFHFOYYZSGOP-CVEARBPZSA-N 2 0 338.496 1.447 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)N1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000659555706 452410856 /nfs/dbraw/zinc/41/08/56/452410856.db2.gz OJKUEJWZCPMBEH-ATLSCFEFSA-N 2 0 346.475 1.407 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000659558129 452414437 /nfs/dbraw/zinc/41/44/37/452414437.db2.gz XPQOJPGVBDUHSJ-KZNAEPCWSA-N 2 0 334.508 1.796 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567444 452423984 /nfs/dbraw/zinc/42/39/84/452423984.db2.gz UXNIULMIEWLRKQ-CRAIPNDOSA-N 2 0 345.491 1.672 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000652236647 452424245 /nfs/dbraw/zinc/42/42/45/452424245.db2.gz UWBQPYJPNNUVOF-UHFFFAOYSA-N 2 0 348.491 1.897 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@@H]21 ZINC000659577324 452432703 /nfs/dbraw/zinc/43/27/03/452432703.db2.gz QGABWJWPMFFQLH-ZWJWXYIHSA-N 2 0 342.487 1.901 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)C1 ZINC000659579593 452433884 /nfs/dbraw/zinc/43/38/84/452433884.db2.gz SQTIMJZVSZSGEZ-CGTJXYLNSA-N 2 0 330.476 1.725 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)[C@@H]1C ZINC000659582168 452438350 /nfs/dbraw/zinc/43/83/50/452438350.db2.gz QFIFDXFTHFBKDB-BQGCOEIASA-N 2 0 334.439 1.663 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589597 452446049 /nfs/dbraw/zinc/44/60/49/452446049.db2.gz USBPCTUYTKJACD-NSNWQYSKSA-N 2 0 334.439 1.650 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000659618061 452475118 /nfs/dbraw/zinc/47/51/18/452475118.db2.gz ZBWZBIBSPIBOGT-HFCFLWKCSA-N 2 0 328.460 1.654 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654437015 452495490 /nfs/dbraw/zinc/49/54/90/452495490.db2.gz AXCUVIYOCSEFOC-ZACQAIPSSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347110 452522422 /nfs/dbraw/zinc/52/24/22/452522422.db2.gz RUDGFSBRJVALCC-GBESFXJTSA-N 2 0 345.487 1.830 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347331 452522992 /nfs/dbraw/zinc/52/29/92/452522992.db2.gz YWNMAXJFOBYNOO-QUSNUVHPSA-N 2 0 325.497 1.898 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)C1 ZINC000652348814 452525152 /nfs/dbraw/zinc/52/51/52/452525152.db2.gz SDAHXXYQXNNTFG-DGAVXFQQSA-N 2 0 349.397 1.368 20 0 EDADRP COCCC[NH+]1CCC(NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655707747 452525952 /nfs/dbraw/zinc/52/59/52/452525952.db2.gz CAORRWJLTNOYNW-GOSISDBHSA-N 2 0 325.497 1.330 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647794195 452526492 /nfs/dbraw/zinc/52/64/92/452526492.db2.gz UCLPZWRRRZIRGE-IJXRJRJASA-N 3 0 329.488 1.731 20 0 EDADRP CCO[C@@H]1C[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652357554 452538141 /nfs/dbraw/zinc/53/81/41/452538141.db2.gz WUUHWFDFOJTTED-IUODEOHRSA-N 2 0 325.840 1.964 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361430 452542662 /nfs/dbraw/zinc/54/26/62/452542662.db2.gz HFYPLULDSKFMOH-GUDVDZBRSA-N 2 0 345.487 1.972 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@H]3CCCn4nccc43)ccn2)CC1 ZINC000657839211 452558855 /nfs/dbraw/zinc/55/88/55/452558855.db2.gz PCAKYSJGQNQWKJ-INIZCTEOSA-N 2 0 326.448 1.655 20 0 EDADRP CC[C@H]([NH2+]CC(=O)NCc1ccccc1CN1CCOCC1)C1CC1 ZINC000661759680 452559227 /nfs/dbraw/zinc/55/92/27/452559227.db2.gz YOCQPLAWXSNDFV-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000661785304 452577398 /nfs/dbraw/zinc/57/73/98/452577398.db2.gz NBSJAFOKDSDNLN-SJLPKXTDSA-N 2 0 347.507 1.321 20 0 EDADRP CN(CCC[NH3+])C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000659697942 452581524 /nfs/dbraw/zinc/58/15/24/452581524.db2.gz LQRTZEDOMJHOEZ-KRWDZBQOSA-N 2 0 346.475 1.137 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CCO)CCc1ccccc1 ZINC000647885832 452625555 /nfs/dbraw/zinc/62/55/55/452625555.db2.gz VQCPLGGUKIQBMB-PMACEKPBSA-N 2 0 328.456 1.454 20 0 EDADRP CO[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000666190221 452671071 /nfs/dbraw/zinc/67/10/71/452671071.db2.gz HNYLBURYPJWXLL-SJORKVTESA-N 2 0 325.497 1.330 20 0 EDADRP FC(F)(F)COc1ccc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nn1 ZINC000655941454 452712281 /nfs/dbraw/zinc/71/22/81/452712281.db2.gz UXCSAOFPGMHXDU-UHFFFAOYSA-N 2 0 330.354 1.993 20 0 EDADRP CO[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)[C@H]1CCOC1 ZINC000659860862 452743196 /nfs/dbraw/zinc/74/31/96/452743196.db2.gz HGHULAJOGXOJLN-ZWKOTPCHSA-N 2 0 326.481 1.472 20 0 EDADRP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCN(C4CC4)CC3)cc2)C1 ZINC000658137372 452745412 /nfs/dbraw/zinc/74/54/12/452745412.db2.gz KOMKSMOHLDKLHE-FQEVSTJZSA-N 2 0 329.488 1.970 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655971158 452752636 /nfs/dbraw/zinc/75/26/36/452752636.db2.gz UPGFMZVXMSKZOB-OWYFMNJBSA-N 2 0 326.485 1.253 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+](CCNC(=O)NC(C)C)CC1 ZINC000645810877 452810452 /nfs/dbraw/zinc/81/04/52/452810452.db2.gz DENBZUWFNDAGBJ-UHFFFAOYSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(Cc2nccn2C)[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1C ZINC000648118670 452835361 /nfs/dbraw/zinc/83/53/61/452835361.db2.gz LMCVGYUIFSVRGP-OAGGEKHMSA-N 2 0 345.491 1.231 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC3(CC[NH2+]CC3)CC2)cnn1C ZINC000648122729 452839117 /nfs/dbraw/zinc/83/91/17/452839117.db2.gz HLBUNYZGFIDCDT-SJORKVTESA-N 2 0 345.491 1.024 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654727632 452842906 /nfs/dbraw/zinc/84/29/06/452842906.db2.gz QXLOAQSRLOBEGB-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)COC1(C)C[NH2+]C1 ZINC000648137462 452849886 /nfs/dbraw/zinc/84/98/86/452849886.db2.gz UWITWSYTNMOFEC-UHFFFAOYSA-N 2 0 341.402 1.234 20 0 EDADRP COCCC1(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)CC[NH2+]CC1 ZINC000648139383 452851772 /nfs/dbraw/zinc/85/17/72/452851772.db2.gz DYGABJKDXBZXFV-UHFFFAOYSA-N 2 0 333.432 1.513 20 0 EDADRP Cn1nnc2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc21 ZINC000650705957 452943696 /nfs/dbraw/zinc/94/36/96/452943696.db2.gz BBWZSMYEOKURLQ-HDMKZQKVSA-N 2 0 329.448 1.687 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000658425252 452951072 /nfs/dbraw/zinc/95/10/72/452951072.db2.gz FZGDLQVJJGKBOQ-OAHLLOKOSA-N 2 0 348.491 1.923 20 0 EDADRP O=C(c1ccsc1)N1CCC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662252393 452978902 /nfs/dbraw/zinc/97/89/02/452978902.db2.gz KWTSCGOPAVQOGW-HNNXBMFYSA-N 2 0 335.473 1.417 20 0 EDADRP COCC[N@@H+](Cc1ccc2c(c1)OCO2)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254534 452983016 /nfs/dbraw/zinc/98/30/16/452983016.db2.gz JFYGEWRSEDPOIK-HNNXBMFYSA-N 2 0 334.416 1.385 20 0 EDADRP CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCN(c2ccccc2)C1=O ZINC000662254060 452983594 /nfs/dbraw/zinc/98/35/94/452983594.db2.gz DQVPKFOTZORJJV-SJORKVTESA-N 2 0 329.444 1.635 20 0 EDADRP C[C@H](CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1)[C@H]1CCC[NH2+]C1 ZINC000646003204 452998910 /nfs/dbraw/zinc/99/89/10/452998910.db2.gz WJSGUVJUOSJLQW-SQNIBIBYSA-N 2 0 336.524 1.251 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000646003207 452999043 /nfs/dbraw/zinc/99/90/43/452999043.db2.gz WKGZBEHFARKPDT-MJGOQNOKSA-N 2 0 342.487 1.112 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1cccc(C[NH3+])c1)c1cccs1 ZINC000666602756 453002067 /nfs/dbraw/zinc/00/20/67/453002067.db2.gz RGKAIESDOYUXLA-AWEZNQCLSA-N 2 0 346.456 1.564 20 0 EDADRP O=c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2sccn21 ZINC000662294271 453015757 /nfs/dbraw/zinc/01/57/57/453015757.db2.gz JZGISBRKYCUYLO-CQSZACIVSA-N 2 0 332.473 1.968 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662292624 453016371 /nfs/dbraw/zinc/01/63/71/453016371.db2.gz GFVDFNHJBRZUGK-INIZCTEOSA-N 2 0 333.480 1.687 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2C[C@H]([NH3+])CCc3ccccc32)CC1 ZINC000662301385 453022946 /nfs/dbraw/zinc/02/29/46/453022946.db2.gz FGYWLYHPFKXYNH-MRXNPFEDSA-N 2 0 330.476 1.367 20 0 EDADRP CC[C@@H]1CN(C)c2ccccc2C[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000666650270 453037714 /nfs/dbraw/zinc/03/77/14/453037714.db2.gz BMKXMHOTFLPVEP-FUHWJXTLSA-N 2 0 344.503 1.914 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662327113 453045819 /nfs/dbraw/zinc/04/58/19/453045819.db2.gz JPNSZBVBRTZWPD-MJGOQNOKSA-N 2 0 335.492 1.780 20 0 EDADRP C[C@H](c1cnccn1)[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337639 453055032 /nfs/dbraw/zinc/05/50/32/453055032.db2.gz MLEFWBXQEFKQCX-HUUCEWRRSA-N 2 0 341.463 1.550 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)c1cn(CC[NH3+])nn1 ZINC000662385809 453095233 /nfs/dbraw/zinc/09/52/33/453095233.db2.gz GUYYUEIYYWBUQU-UHFFFAOYSA-N 2 0 330.436 1.007 20 0 EDADRP CN(CCN1CC[NH2+]CC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662412548 453121806 /nfs/dbraw/zinc/12/18/06/453121806.db2.gz NTYOOMVBMZVLTG-KRWDZBQOSA-N 2 0 330.476 1.042 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000666759844 453124179 /nfs/dbraw/zinc/12/41/79/453124179.db2.gz ISGVESNSLITTHD-KRWDZBQOSA-N 3 0 341.544 1.242 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000662460099 453169226 /nfs/dbraw/zinc/16/92/26/453169226.db2.gz PYTPEWITJUZBKG-IKGGRYGDSA-N 2 0 325.497 1.852 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)Nc2cccc(OCC[NH+](C)C)c2)CCO1 ZINC000666831399 453175515 /nfs/dbraw/zinc/17/55/15/453175515.db2.gz CIQQQUKVIBPONC-XJKSGUPXSA-N 2 0 336.436 1.207 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000652989729 453179607 /nfs/dbraw/zinc/17/96/07/453179607.db2.gz RSGGYYDNRDEVQN-UHFFFAOYSA-N 2 0 337.508 1.966 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)N1CCOCC1 ZINC000660297715 453186559 /nfs/dbraw/zinc/18/65/59/453186559.db2.gz OPUMUVUIXLHKHN-CVEARBPZSA-N 2 0 340.512 1.515 20 0 EDADRP COC1CC[NH+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000646180995 453193125 /nfs/dbraw/zinc/19/31/25/453193125.db2.gz OPIAQYSMUKIKHY-QGZVFWFLSA-N 2 0 333.476 1.940 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)CC[N@@H+]1C ZINC000648758426 453239500 /nfs/dbraw/zinc/23/95/00/453239500.db2.gz UIBUVIGECGXNPC-VQIMIIECSA-N 2 0 344.503 1.887 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C1 ZINC000662526672 453247053 /nfs/dbraw/zinc/24/70/53/453247053.db2.gz HYRSRGBXEULDOD-XUWVNRHRSA-N 2 0 345.491 1.964 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCC2(O)CC[NH+](C(C)C)CC2)C1 ZINC000666924583 453251566 /nfs/dbraw/zinc/25/15/66/453251566.db2.gz IKIDYVVJDSLLDO-OAHLLOKOSA-N 2 0 326.485 1.005 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)[C@H](C)C1 ZINC000648786460 453270341 /nfs/dbraw/zinc/27/03/41/453270341.db2.gz CASLUSPGGVWEGO-VQHPVUNQSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)C[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000666970057 453286354 /nfs/dbraw/zinc/28/63/54/453286354.db2.gz JFPOICXPPXDRRK-KRWDZBQOSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@@H+]1C ZINC000648813057 453295229 /nfs/dbraw/zinc/29/52/29/453295229.db2.gz OQSUMLLYSWYTTH-RDTXWAMCSA-N 2 0 331.460 1.922 20 0 EDADRP NC(=O)[C@@H]1CCCN1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653111560 453297234 /nfs/dbraw/zinc/29/72/34/453297234.db2.gz SDXDWFOCKKXDTA-RDJZCZTQSA-N 2 0 344.459 1.465 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@]23C[NH2+]C[C@H]2COC3)[NH+]2CCCC2)o1 ZINC000653115248 453303571 /nfs/dbraw/zinc/30/35/71/453303571.db2.gz IFTGWZFPULJUAM-MPGHIAIKSA-N 2 0 333.432 1.077 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]CC1 ZINC000653124861 453319562 /nfs/dbraw/zinc/31/95/62/453319562.db2.gz JKHWCDROVNHQCK-GOSISDBHSA-N 2 0 344.503 1.705 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000653159604 453352277 /nfs/dbraw/zinc/35/22/77/453352277.db2.gz HYMBOIDVBMIUFX-MRXNPFEDSA-N 2 0 338.883 1.093 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000651196509 453352630 /nfs/dbraw/zinc/35/26/30/453352630.db2.gz DMKIXIDHLWYEPS-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)CC[N@@H+]1C ZINC000648880167 453355574 /nfs/dbraw/zinc/35/55/74/453355574.db2.gz YHIJZKZMFYCNNP-BHIYHBOVSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H](N)CC[NH+](C)C)CC1 ZINC000653169041 453359914 /nfs/dbraw/zinc/35/99/14/453359914.db2.gz ZYWNHXOFDQWIEJ-SJLPKXTDSA-N 3 0 338.540 1.769 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000646408981 453370412 /nfs/dbraw/zinc/37/04/12/453370412.db2.gz WKGFIJHAFLFVSV-ROUUACIJSA-N 2 0 331.460 1.708 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000662658403 453370563 /nfs/dbraw/zinc/37/05/63/453370563.db2.gz FEHMEAJXMCMBHJ-HBFSDRIKSA-N 2 0 327.472 1.761 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000662658215 453371285 /nfs/dbraw/zinc/37/12/85/453371285.db2.gz CFSIYYHNHXKZJY-ROUUACIJSA-N 2 0 331.460 1.140 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C1(O)C[NH2+]C1)c1ccccc1Cl ZINC000662663495 453378379 /nfs/dbraw/zinc/37/83/79/453378379.db2.gz NKFOCPJSOQBCOZ-CQSZACIVSA-N 2 0 325.840 1.173 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662667960 453382735 /nfs/dbraw/zinc/38/27/35/453382735.db2.gz FEJJDWLNLAUZNI-UONOGXRCSA-N 2 0 331.464 1.623 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662674673 453390123 /nfs/dbraw/zinc/39/01/23/453390123.db2.gz FNXUOXVVXBAEGL-OALUTQOASA-N 2 0 345.487 1.899 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000662675936 453394316 /nfs/dbraw/zinc/39/43/16/453394316.db2.gz QYTKRASMUCJPBU-MNEFBYGVSA-N 2 0 345.487 1.899 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000667094468 453402197 /nfs/dbraw/zinc/40/21/97/453402197.db2.gz HXCGCUHZMLIGEA-KRWDZBQOSA-N 2 0 346.475 1.724 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662691778 453412201 /nfs/dbraw/zinc/41/22/01/453412201.db2.gz ITJDADOCLGSGBG-GJZGRUSLSA-N 2 0 334.468 1.053 20 0 EDADRP O=C(CN1CCn2cncc2C1)N1CCN(Cc2ccccc2)CC1 ZINC000660577335 453417324 /nfs/dbraw/zinc/41/73/24/453417324.db2.gz FOHNEBBCSJCUCF-UHFFFAOYSA-N 2 0 339.443 1.043 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662705241 453427814 /nfs/dbraw/zinc/42/78/14/453427814.db2.gz NNNVAQXPDDQEGL-NVXWUHKLSA-N 2 0 349.500 1.846 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(C2CC[NH2+]CC2)no1 ZINC000662708404 453432332 /nfs/dbraw/zinc/43/23/32/453432332.db2.gz MVYBAAJSKNUOQJ-OAHLLOKOSA-N 2 0 348.447 1.125 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662711391 453436221 /nfs/dbraw/zinc/43/62/21/453436221.db2.gz AOBZSWSNQMBTOG-RTBURBONSA-N 2 0 345.487 1.721 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1C[NH2+]CCO1 ZINC000662716837 453441588 /nfs/dbraw/zinc/44/15/88/453441588.db2.gz WYUQHDWPLXHUJY-QZTJIDSGSA-N 2 0 343.471 1.393 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)C1 ZINC000653260485 453443358 /nfs/dbraw/zinc/44/33/58/453443358.db2.gz HMTNDHQXMYOVSU-CWQOZTLDSA-N 2 0 335.492 1.510 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000662743267 453471235 /nfs/dbraw/zinc/47/12/35/453471235.db2.gz MQVXSTZZYMPNHN-CVEARBPZSA-N 2 0 346.479 1.151 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662786426 453520994 /nfs/dbraw/zinc/52/09/94/453520994.db2.gz WLZHSAUVWMXONN-MSOLQXFVSA-N 2 0 329.444 1.301 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)on1 ZINC000662815636 453547593 /nfs/dbraw/zinc/54/75/93/453547593.db2.gz KWPBCNQMBSXDNU-WCQYABFASA-N 2 0 332.379 1.574 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000659022647 453585322 /nfs/dbraw/zinc/58/53/22/453585322.db2.gz NZHHKCCUZSQZDK-KRWDZBQOSA-N 2 0 332.448 1.781 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@H](CC[NH3+])C(F)(F)F)CCO1 ZINC000659023897 453586434 /nfs/dbraw/zinc/58/64/34/453586434.db2.gz SUDXJNNKOOFTIA-NWDGAFQWSA-N 2 0 340.390 1.018 20 0 EDADRP [NH3+][C@H]1C[C@@H](C(=O)NC2(C[NH+]3CCN(c4ccccc4)CC3)CC2)C1 ZINC000662886932 453588075 /nfs/dbraw/zinc/58/80/75/453588075.db2.gz BEZTZXJKFKDBDF-IYBDPMFKSA-N 2 0 328.460 1.195 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662886974 453588752 /nfs/dbraw/zinc/58/87/52/453588752.db2.gz QNWWRCQONOENCR-HOTGVXAUSA-N 2 0 348.495 1.443 20 0 EDADRP O=C(Nc1ccc([C@H]2C[NH2+]CCO2)cc1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000659034351 453589902 /nfs/dbraw/zinc/58/99/02/453589902.db2.gz LYAWKQCTTGGVJH-QZTJIDSGSA-N 2 0 344.459 1.953 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900994 453596120 /nfs/dbraw/zinc/59/61/20/453596120.db2.gz RAMIRQCNHGRDNM-WMZOPIPTSA-N 2 0 338.540 1.624 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660841633 453600624 /nfs/dbraw/zinc/60/06/24/453600624.db2.gz QSHZABIJLZKMAJ-NVXWUHKLSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CCC(CCNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000660842303 453601742 /nfs/dbraw/zinc/60/17/42/453601742.db2.gz NAOPHTAFPUODOU-QGZVFWFLSA-N 2 0 338.496 1.271 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000665232839 453617683 /nfs/dbraw/zinc/61/76/83/453617683.db2.gz VOUUSVHVBYVPJR-SUMDDJOVSA-N 2 0 336.476 1.593 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000665255580 453626702 /nfs/dbraw/zinc/62/67/02/453626702.db2.gz XBIXRJANDRVRLU-XIVBQZFQSA-N 2 0 333.476 1.497 20 0 EDADRP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1 ZINC000665292997 453639447 /nfs/dbraw/zinc/63/94/47/453639447.db2.gz ONAPNZJXYCZUKD-NSHDSACASA-N 2 0 326.404 1.628 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000663004078 453644518 /nfs/dbraw/zinc/64/45/18/453644518.db2.gz PBEPIAMRIQRSCD-SJLPKXTDSA-N 2 0 345.491 1.659 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665364666 453668016 /nfs/dbraw/zinc/66/80/16/453668016.db2.gz VDAQOXBUTWAVRN-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000659284238 453700186 /nfs/dbraw/zinc/70/01/86/453700186.db2.gz CRJDDUIZUQZPRM-HNNXBMFYSA-N 2 0 343.537 1.607 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)N1CC[NH+](C)CC1 ZINC000657348962 453771486 /nfs/dbraw/zinc/77/14/86/453771486.db2.gz NIEOKXDRZCTAEM-QFBILLFUSA-N 2 0 333.476 1.580 20 0 EDADRP O[C@H](C[NH2+]CC1CC[NH+](CC2CC2)CC1)COC1CCOCC1 ZINC000663373988 453782790 /nfs/dbraw/zinc/78/27/90/453782790.db2.gz AHQHQTWLSBCRCG-QGZVFWFLSA-N 2 0 326.481 1.255 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2cc(OC)ccc2OC)CC1 ZINC000663503228 453811355 /nfs/dbraw/zinc/81/13/55/453811355.db2.gz LRYPCIBRFDUENN-UHFFFAOYSA-N 2 0 349.475 1.784 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672757479 486792349 /nfs/dbraw/zinc/79/23/49/486792349.db2.gz BGPWAUWXHNDQEO-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H](C)C1 ZINC000417669623 486867853 /nfs/dbraw/zinc/86/78/53/486867853.db2.gz MFFIAROWOGRURW-HZMVEIRTSA-N 2 0 340.512 1.693 20 0 EDADRP CC1(C)CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)CC[N@@H+]1CCO ZINC000673044730 486893530 /nfs/dbraw/zinc/89/35/30/486893530.db2.gz ZBPOMEWXZANTIY-INIZCTEOSA-N 2 0 338.496 1.101 20 0 EDADRP c1cc(CN2CC[NH+](C[C@H]3CCOC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000667683239 486912030 /nfs/dbraw/zinc/91/20/30/486912030.db2.gz JTEIUANHRBVWJA-MRXNPFEDSA-N 2 0 327.432 1.421 20 0 EDADRP O=C(N1CCC(C[NH+]2CCCC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000320609935 486949184 /nfs/dbraw/zinc/94/91/84/486949184.db2.gz GMODBFDOHRFGGX-HNNXBMFYSA-N 2 0 333.398 1.863 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](CCO)CC(C)(C)C)c1ccccc1 ZINC000681209635 486974122 /nfs/dbraw/zinc/97/41/22/486974122.db2.gz YDCNSBHBTZPQBS-KRWDZBQOSA-N 2 0 335.492 1.746 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@@H]([NH+]4CCCC4)C3)cc2C1 ZINC000667806966 486974880 /nfs/dbraw/zinc/97/48/80/486974880.db2.gz CHKRNIINVCJLBC-DOTOQJQBSA-N 2 0 343.475 1.990 20 0 EDADRP CN(C(=O)N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000681219123 486977399 /nfs/dbraw/zinc/97/73/99/486977399.db2.gz URIKUBWPTCDNBE-QAPCUYQASA-N 2 0 349.523 1.033 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CC)[C@H](C)C3)cc2)CC1 ZINC000677182818 487000678 /nfs/dbraw/zinc/00/06/78/487000678.db2.gz LQRSTICKSKUZGN-QGZVFWFLSA-N 2 0 344.503 1.995 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000673861873 487136719 /nfs/dbraw/zinc/13/67/19/487136719.db2.gz BUJZTCPTLNZNCA-UHFFFAOYSA-N 2 0 332.408 1.309 20 0 EDADRP CCOc1cnc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cn1 ZINC000681721948 487144750 /nfs/dbraw/zinc/14/47/50/487144750.db2.gz DCTPKEVDJNANRU-HNNXBMFYSA-N 2 0 349.479 1.363 20 0 EDADRP c1cn(CCCC2CCN(Cc3nnc4n3CCOC4)CC2)cn1 ZINC000684770501 487159599 /nfs/dbraw/zinc/15/95/99/487159599.db2.gz CCFIXNYMMXMFHI-UHFFFAOYSA-N 2 0 330.436 1.697 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCSC1 ZINC000677859915 487184145 /nfs/dbraw/zinc/18/41/45/487184145.db2.gz IXVAWCNQZACVCX-HZPDHXFCSA-N 2 0 341.521 1.137 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H](C)[NH+](C)C)cc2)CC1 ZINC000674245637 487222730 /nfs/dbraw/zinc/22/27/30/487222730.db2.gz SPVRLLQSWQTCBL-INIZCTEOSA-N 2 0 332.492 1.390 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCn2cncn2)CC1 ZINC000678359198 487295452 /nfs/dbraw/zinc/29/54/52/487295452.db2.gz SNTVAEJVPOAFIA-UHFFFAOYSA-N 2 0 348.882 1.863 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000685566519 487297402 /nfs/dbraw/zinc/29/74/02/487297402.db2.gz COJRULZHPRNPLY-UHFFFAOYSA-N 2 0 349.438 1.763 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N2CCC([N@H+](C)CCO)CC2)o1 ZINC000679239671 487405085 /nfs/dbraw/zinc/40/50/85/487405085.db2.gz PALVMZJJVRAXND-UHFFFAOYSA-N 2 0 337.464 1.650 20 0 EDADRP C[C@@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000675890421 487457329 /nfs/dbraw/zinc/45/73/29/487457329.db2.gz MGORZXRLJSLSCH-ROUUACIJSA-N 2 0 345.535 1.912 20 0 EDADRP COC[C@@]1(CNC(=O)C2(c3ccccc3)CC[NH2+]CC2)CCC[NH2+]1 ZINC000669518433 485483909 /nfs/dbraw/zinc/48/39/09/485483909.db2.gz CGTXJALMQFZGKM-SFHVURJKSA-N 2 0 331.460 1.193 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000669537110 485518144 /nfs/dbraw/zinc/51/81/44/485518144.db2.gz XDGPMYUUGKRKIP-ULQDDVLXSA-N 2 0 338.496 1.196 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)NCC3C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000669554122 485552886 /nfs/dbraw/zinc/55/28/86/485552886.db2.gz GBAQZVRGMWPAGH-MSOLQXFVSA-N 2 0 344.459 1.492 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NC[C@H](c1cccc(C(F)(F)F)c1)[NH+](C)C ZINC000669562601 485571021 /nfs/dbraw/zinc/57/10/21/485571021.db2.gz VYLRDMQMHYRGJC-ZWNOBZJWSA-N 2 0 332.370 1.955 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)CCCO1 ZINC000669570918 485592541 /nfs/dbraw/zinc/59/25/41/485592541.db2.gz OYEKTCVWKOLQKJ-YYIAUSFCSA-N 2 0 338.496 1.256 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000362198814 485725212 /nfs/dbraw/zinc/72/52/12/485725212.db2.gz FMGXZHKTYZORTP-GOSISDBHSA-N 2 0 331.460 1.731 20 0 EDADRP C[C@H]([NH3+])CNC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000669397206 486054543 /nfs/dbraw/zinc/05/45/43/486054543.db2.gz FDPPPRUQUNJITE-KRWDZBQOSA-N 2 0 347.507 1.231 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669462419 486215498 /nfs/dbraw/zinc/21/54/98/486215498.db2.gz UDPPTWCNKXZCJW-KRWDZBQOSA-N 2 0 348.491 1.611 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC/C=C/C[NH3+])c1cccc(OC)c1 ZINC000668899942 486321491 /nfs/dbraw/zinc/32/14/91/486321491.db2.gz QXQCUFZUMHRTAD-LXXRFIIISA-N 2 0 334.464 1.892 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1)[NH+](C)C ZINC000078750128 491002493 /nfs/dbraw/zinc/00/24/93/491002493.db2.gz UVIXSCFXUMFIKB-YOEHRIQHSA-N 2 0 346.475 1.741 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCN(c3cc[nH+]cc3)CC2)C[N@@H+]1C1CC1 ZINC000127606714 491016722 /nfs/dbraw/zinc/01/67/22/491016722.db2.gz JBVFJURHNPATQT-CABCVRRESA-N 2 0 329.448 1.538 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)CC2(C[NH3+])CCCCC2)C[C@H](C)O1 ZINC000184221764 533932520 /nfs/dbraw/zinc/93/25/20/533932520.db2.gz NDTBVRCQTYRDCU-HOTGVXAUSA-N 2 0 325.497 1.901 20 0 EDADRP CC[NH+](CC)CC(=O)N1CC[NH+](CC2(O)CCC(C)CC2)CC1 ZINC000304323685 517636558 /nfs/dbraw/zinc/63/65/58/517636558.db2.gz PWLHIYHZDMDDIN-UHFFFAOYSA-N 2 0 325.497 1.414 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)N[C@@H]3CC[NH+](CC4CCCC4)C3)[C@H]2C1 ZINC000353332694 536461834 /nfs/dbraw/zinc/46/18/34/536461834.db2.gz WVNAIZQDCLAOQU-KURKYZTESA-N 2 0 334.508 1.987 20 0 EDADRP CC(C)(CF)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000353079024 535059418 /nfs/dbraw/zinc/05/94/18/535059418.db2.gz KPGTZIVHBNNVEB-UHFFFAOYSA-N 2 0 337.443 1.641 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000074005898 535278426 /nfs/dbraw/zinc/27/84/26/535278426.db2.gz WJFZFAOMIHMOFN-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346814049 535325753 /nfs/dbraw/zinc/32/57/53/535325753.db2.gz BJRCWJXFVZDZTQ-MRXNPFEDSA-N 2 0 325.497 1.629 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000354218807 535545750 /nfs/dbraw/zinc/54/57/50/535545750.db2.gz UWQSKQKBHIVRAF-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263273285 535547614 /nfs/dbraw/zinc/54/76/14/535547614.db2.gz SMPCPRNWRRMDIW-SOLBZPMBSA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+](CC)CCOc1ccc(NC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261947382 535554536 /nfs/dbraw/zinc/55/45/36/535554536.db2.gz YNXADFIUYGHWCW-UHFFFAOYSA-N 2 0 335.448 1.854 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)C1 ZINC000339483329 535570672 /nfs/dbraw/zinc/57/06/72/535570672.db2.gz JHEVBOWEXZEWPI-ZDUSSCGKSA-N 2 0 338.496 1.012 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1cccnc1 ZINC000263853664 535593445 /nfs/dbraw/zinc/59/34/45/535593445.db2.gz ZHJKKXYQICCLIV-BBVFFXRHSA-N 2 0 330.476 1.969 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000236895920 535772264 /nfs/dbraw/zinc/77/22/64/535772264.db2.gz OQBYVOLFUHQJKS-MSOLQXFVSA-N 2 0 331.460 1.345 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])C2CCOCC2)C1 ZINC000261698759 535819777 /nfs/dbraw/zinc/81/97/77/535819777.db2.gz HXNHRPKIWLZLIR-ZBFHGGJFSA-N 2 0 325.497 1.757 20 0 EDADRP CC[C@]1(C(=O)Nc2ccc(NC(=O)CC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000119644812 535882844 /nfs/dbraw/zinc/88/28/44/535882844.db2.gz KDRPIYBKPMCJCN-SFHVURJKSA-N 2 0 332.448 1.905 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261977785 535916200 /nfs/dbraw/zinc/91/62/00/535916200.db2.gz IWGCPMONRWUCGV-HXUWFJFHSA-N 2 0 346.519 1.749 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262118726 536019238 /nfs/dbraw/zinc/01/92/38/536019238.db2.gz VLKZZGBCHZVXEY-UAGQMJEPSA-N 2 0 337.489 1.496 20 0 EDADRP CN(C)Cc1cnc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)s1 ZINC000352753843 536057372 /nfs/dbraw/zinc/05/73/72/536057372.db2.gz GGMNEAVXRRNJEF-AWEZNQCLSA-N 2 0 326.510 1.531 20 0 EDADRP C[N@H+](CCOc1cccc(CNC(=O)CCC[NH3+])c1)C1CCOCC1 ZINC000237189666 536400850 /nfs/dbraw/zinc/40/08/50/536400850.db2.gz WSUSEDOPOSWAQS-UHFFFAOYSA-N 2 0 349.475 1.531 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000347327346 536779007 /nfs/dbraw/zinc/77/90/07/536779007.db2.gz MUIXWZNRAMHMOI-IRXDYDNUSA-N 2 0 342.528 1.856 20 0 EDADRP COCC1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CC[NH2+]CC1 ZINC000262313323 536813851 /nfs/dbraw/zinc/81/38/51/536813851.db2.gz AXZHFCYNTXAINV-INIZCTEOSA-N 2 0 337.439 1.561 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@@H](C)C[NH+]1CCC[C@H](C)C1 ZINC000247657099 536859580 /nfs/dbraw/zinc/85/95/80/536859580.db2.gz YUQWOOJGKYSXTM-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000252442435 536860752 /nfs/dbraw/zinc/86/07/52/536860752.db2.gz ZXYFOPCUVGPUKL-DLBZAZTESA-N 2 0 340.512 1.517 20 0 EDADRP COc1ccccc1[C@H](O)C[NH2+]C[C@H](O)CN(C)Cc1ccccc1 ZINC000726797125 578361679 /nfs/dbraw/zinc/36/16/79/578361679.db2.gz USCQDKAJVLJLQQ-PKOBYXMFSA-N 2 0 344.455 1.811 20 0 EDADRP CC[C@H](C)[C@@H]1CCCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000738056726 578478040 /nfs/dbraw/zinc/47/80/40/578478040.db2.gz QAOSMSPWFRXGJI-GJZGRUSLSA-N 2 0 336.480 1.861 20 0 EDADRP CN(C[C@H]1CCN(C[C@@H](O)C[NH+]2CCCC2)C1)C(=O)OC(C)(C)C ZINC000729543798 578581845 /nfs/dbraw/zinc/58/18/45/578581845.db2.gz QLJVLFQAKGFRCU-CVEARBPZSA-N 2 0 341.496 1.632 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000733165262 578745527 /nfs/dbraw/zinc/74/55/27/578745527.db2.gz AKEVUKFOWXRXKB-ROUUACIJSA-N 2 0 332.492 1.996 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](N3C(=O)NC4(CCCCCC4)C3=O)C2)CC1 ZINC000761301982 580054391 /nfs/dbraw/zinc/05/43/91/580054391.db2.gz JPMSVIBEYIYRMG-INIZCTEOSA-N 2 0 348.491 1.800 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)c1cn[nH]c1 ZINC000778141034 580457366 /nfs/dbraw/zinc/45/73/66/580457366.db2.gz SHRKMEUSGMHUAJ-OAHLLOKOSA-N 2 0 341.459 1.973 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220351 580458994 /nfs/dbraw/zinc/45/89/94/580458994.db2.gz DVHZFYFDMBNBDB-HOTGVXAUSA-N 2 0 340.464 1.655 20 0 EDADRP C[NH+]1CCC([C@@H]2CC[N@H+](CN3C(=O)CC4(CCCC4)C3=O)C2)CC1 ZINC000755773814 579934621 /nfs/dbraw/zinc/93/46/21/579934621.db2.gz ASXPKFAIRLXDHZ-MRXNPFEDSA-N 2 0 333.476 1.927 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000758456562 579982884 /nfs/dbraw/zinc/98/28/84/579982884.db2.gz TUIREELXNSWGIR-DJIMGWMZSA-N 2 0 338.496 1.221 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)NC(=S)NCC(C)(C)C[NH+](C)C ZINC000769766054 580244496 /nfs/dbraw/zinc/24/44/96/580244496.db2.gz IVQZNTOUBPJJLW-OAHLLOKOSA-N 2 0 343.585 1.064 20 0 EDADRP C[NH+]1CCC(NC(=S)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000772816431 580321211 /nfs/dbraw/zinc/32/12/11/580321211.db2.gz GOWQIBCEVVPPFI-PBHICJAKSA-N 2 0 336.549 1.904 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000774350572 580360216 /nfs/dbraw/zinc/36/02/16/580360216.db2.gz YXEWUVXUQNLSQF-MQVJKMGUSA-N 2 0 329.510 1.263 20 0 EDADRP COCCOC[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000893067394 590645984 /nfs/dbraw/zinc/64/59/84/590645984.db2.gz DOLDTDXYXMQPNK-QGZVFWFLSA-N 2 0 327.513 1.578 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)C1 ZINC000891855345 590656114 /nfs/dbraw/zinc/65/61/14/590656114.db2.gz JYVRHMLBZYJWIM-KSZLIROESA-N 2 0 346.475 1.314 20 0 EDADRP C[N@@H+]1C[C@H]2CCN(C(=O)NCC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000891881532 590668567 /nfs/dbraw/zinc/66/85/67/590668567.db2.gz GXECGOOCRZDMGL-MSOLQXFVSA-N 2 0 328.460 1.390 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891905563 590681256 /nfs/dbraw/zinc/68/12/56/590681256.db2.gz PQHXZRQMSVOHAR-NSHDSACASA-N 2 0 325.482 1.398 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCc3sc(C[NH3+])nc3C2)C1 ZINC000891956463 590707072 /nfs/dbraw/zinc/70/70/72/590707072.db2.gz QPNKGCMNLRGBNO-LBPRGKRZSA-N 2 0 337.493 1.401 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)CN ZINC000892063181 590779006 /nfs/dbraw/zinc/77/90/06/590779006.db2.gz YANQDBXNSIRIIO-DZGCQCFKSA-N 2 0 340.418 1.648 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC(F)(F)CN ZINC000892063183 590779130 /nfs/dbraw/zinc/77/91/30/590779130.db2.gz YANQDBXNSIRIIO-UKRRQHHQSA-N 2 0 340.418 1.648 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C[NH3+])C2CCCC2)c1 ZINC000892091139 590794019 /nfs/dbraw/zinc/79/40/19/590794019.db2.gz IXUZCFKVUIQDSD-QZTJIDSGSA-N 2 0 346.475 1.869 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCC[C@@H]2CCC[NH2+]2)c1 ZINC000892163566 590834526 /nfs/dbraw/zinc/83/45/26/590834526.db2.gz QIKSHHGIJLQNHS-FUHWJXTLSA-N 2 0 346.475 1.883 20 0 EDADRP O=C(NCCC[C@@H]1CCC[NH2+]1)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892163973 590836117 /nfs/dbraw/zinc/83/61/17/590836117.db2.gz VVQORCPWSHCMCD-HNNXBMFYSA-N 2 0 338.496 1.461 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000890896326 590837882 /nfs/dbraw/zinc/83/78/82/590837882.db2.gz ASFYWHOQSCJNIV-BZSNNMDCSA-N 2 0 349.523 1.548 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)N[C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)C2 ZINC000892186652 590853112 /nfs/dbraw/zinc/85/31/12/590853112.db2.gz ATQPMXQTNUWJJL-QJPTWQEYSA-N 2 0 335.477 1.058 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)C[C@H]1C(F)(F)F ZINC000892234981 590879596 /nfs/dbraw/zinc/87/95/96/590879596.db2.gz BNHRAMRDCXZWGV-AAVRWANBSA-N 2 0 348.413 1.782 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000892258151 590890738 /nfs/dbraw/zinc/89/07/38/590890738.db2.gz ZLUWFSRRTFGZDX-XWTMOSNGSA-N 2 0 346.450 1.807 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000892274870 590906434 /nfs/dbraw/zinc/90/64/34/590906434.db2.gz QZHZRPVFFVKXFU-GOEBONIOSA-N 2 0 329.448 1.586 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[C@@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892290622 590918757 /nfs/dbraw/zinc/91/87/57/590918757.db2.gz IOCSVVNWMGNMQS-RDJZCZTQSA-N 2 0 340.512 1.681 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NCCOCCC[NH3+])C2)cc1 ZINC000892292435 590918970 /nfs/dbraw/zinc/91/89/70/590918970.db2.gz RJGQNWXONDOYGO-KRWDZBQOSA-N 2 0 334.464 1.234 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000892294478 590920038 /nfs/dbraw/zinc/92/00/38/590920038.db2.gz ZAUAVMUYSGTCRL-GDBMZVCRSA-N 2 0 326.485 1.127 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892324321 590945629 /nfs/dbraw/zinc/94/56/29/590945629.db2.gz RUQLIVYJGPSMAT-FUHWJXTLSA-N 2 0 328.460 1.568 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892343151 590971648 /nfs/dbraw/zinc/97/16/48/590971648.db2.gz KJJCRRPQXCLINF-OAHLLOKOSA-N 2 0 330.476 1.816 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H]3C[NH+](C)C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000893622470 591015567 /nfs/dbraw/zinc/01/55/67/591015567.db2.gz SQKAOEJHLSSFGO-OQIJWPOYSA-N 2 0 342.487 1.995 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891350817 591055739 /nfs/dbraw/zinc/05/57/39/591055739.db2.gz VOYDGEOOJKPGIN-KSZLIROESA-N 2 0 328.460 1.969 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000891460588 591079766 /nfs/dbraw/zinc/07/97/66/591079766.db2.gz QUNNFIHEDFBFFW-GASCZTMLSA-N 2 0 336.505 1.997 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1)c1ccccc1 ZINC000891476496 591085081 /nfs/dbraw/zinc/08/50/81/591085081.db2.gz RIFLYUQFLBYQTD-JENIJYKNSA-N 2 0 330.476 1.882 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)NCC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000891518674 591105027 /nfs/dbraw/zinc/10/50/27/591105027.db2.gz TVFHPUDVJSLZSS-WKILWMFISA-N 2 0 338.496 1.448 20 0 EDADRP CCN(C(=O)NCC(C)(C)[NH+]1CCC(OC)CC1)[C@@H]1CC[NH2+]C1 ZINC000891529223 591108202 /nfs/dbraw/zinc/10/82/02/591108202.db2.gz QCULTVKKZKGLBX-CQSZACIVSA-N 2 0 326.485 1.269 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891538101 591113229 /nfs/dbraw/zinc/11/32/29/591113229.db2.gz JVTDYUVUGBAJNE-HNNXBMFYSA-N 2 0 326.485 1.319 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000891578862 591133686 /nfs/dbraw/zinc/13/36/86/591133686.db2.gz BIZWIILACGGFTG-MRXNPFEDSA-N 2 0 340.512 1.709 20 0 EDADRP CN(C(=O)NCCCC[NH+]1CCN(C)CC1)C1(C[NH3+])CCCCC1 ZINC000891580603 591135767 /nfs/dbraw/zinc/13/57/67/591135767.db2.gz YOWSCTGJZBBALK-UHFFFAOYSA-N 2 0 339.528 1.317 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891630094 591157248 /nfs/dbraw/zinc/15/72/48/591157248.db2.gz FEIHUDSXKQRUBH-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3CCN(c4cc[nH+]cc4)CC3)[C@@H]2C1 ZINC000893988865 591161225 /nfs/dbraw/zinc/16/12/25/591161225.db2.gz CZRSTLQILUHNHG-FUHWJXTLSA-N 2 0 343.475 1.644 20 0 EDADRP COCCC1(NC(=O)NC2CCC(C[NH+](C)C)CC2)CC[NH2+]CC1 ZINC000891704163 591192862 /nfs/dbraw/zinc/19/28/62/591192862.db2.gz QKXHTHUNVASUHC-UHFFFAOYSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891758655 591213525 /nfs/dbraw/zinc/21/35/25/591213525.db2.gz KTXPQVSJRQOENB-DDBAPUKQSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891757896 591213734 /nfs/dbraw/zinc/21/37/34/591213734.db2.gz ADALDFRRUNCGKE-RANZSIQMSA-N 2 0 328.460 1.653 20 0 EDADRP COC(=O)[C@@H]1[C@@H](C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)C1(F)F ZINC000894189857 591220367 /nfs/dbraw/zinc/22/03/67/591220367.db2.gz FSQXBNHAYPMEBF-CABCVRRESA-N 2 0 342.386 1.771 20 0 EDADRP O=C(C1C[NH+]([C@H]2CCOC2)C1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000895809643 591274288 /nfs/dbraw/zinc/27/42/88/591274288.db2.gz NZWHDKWWEHYIKA-IBGZPJMESA-N 2 0 349.519 1.822 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000895850342 591287440 /nfs/dbraw/zinc/28/74/40/591287440.db2.gz HNEPVRJSDOIOGD-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000898579633 591420854 /nfs/dbraw/zinc/42/08/54/591420854.db2.gz SKJSQLVDBHESGK-KRWDZBQOSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)sc1C ZINC000894893623 591461379 /nfs/dbraw/zinc/46/13/79/591461379.db2.gz GCGJOLORACWZGE-UHFFFAOYSA-N 2 0 338.521 1.646 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[NH+]2CCO ZINC000894905217 591467568 /nfs/dbraw/zinc/46/75/68/591467568.db2.gz BYCGIMPVBNSAMM-YESZJQIVSA-N 2 0 340.512 1.347 20 0 EDADRP OC1(C2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CC2)CCOCC1 ZINC000896628109 591557646 /nfs/dbraw/zinc/55/76/46/591557646.db2.gz MKWHHERBULZNAK-UHFFFAOYSA-N 2 0 331.460 1.962 20 0 EDADRP Cc1nc2cc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc2c(=O)[nH]1 ZINC000896682101 591572828 /nfs/dbraw/zinc/57/28/28/591572828.db2.gz QSMUPZRHIGMLNH-UHFFFAOYSA-N 2 0 345.447 1.209 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccncc1)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897778277 591649210 /nfs/dbraw/zinc/64/92/10/591649210.db2.gz BYPMDMZGGHVKDQ-SFHVURJKSA-N 2 0 346.475 1.083 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)o1 ZINC000896973148 591701787 /nfs/dbraw/zinc/70/17/87/591701787.db2.gz JXWHVNPYAROFEN-MRXNPFEDSA-N 2 0 335.448 1.199 20 0 EDADRP CSCC1CC[NH+]([C@H]2CC(=O)N(CCC[NH+](C)C)C2=O)CC1 ZINC000899245275 591743700 /nfs/dbraw/zinc/74/37/00/591743700.db2.gz NIRYYGAHNFCSRF-AWEZNQCLSA-N 2 0 327.494 1.141 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)Nc2nc3c(s2)CN(C)CC3)n[nH]1 ZINC000895484377 591778382 /nfs/dbraw/zinc/77/83/82/591778382.db2.gz WSLOUFNPABBKFI-ZDUSSCGKSA-N 2 0 346.460 1.873 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccccc1 ZINC000900077612 591888372 /nfs/dbraw/zinc/88/83/72/591888372.db2.gz RASQENLNTBZSKZ-SCTDSRPQSA-N 2 0 333.476 1.641 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC[NH+]2CCc3ccccc3C2)C1 ZINC000900116535 591904738 /nfs/dbraw/zinc/90/47/38/591904738.db2.gz QICBHPWWYKRNIS-LJQANCHMSA-N 2 0 331.460 1.008 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900198208 591938376 /nfs/dbraw/zinc/93/83/76/591938376.db2.gz ULFLXQVSMRRZRC-SJLPKXTDSA-N 2 0 325.497 1.460 20 0 EDADRP Cc1cn2c(n1)C[C@@H](C(=O)N1CCN(c3cc[nH+]cc3)C[C@H]1C)CC2 ZINC000899808603 591945909 /nfs/dbraw/zinc/94/59/09/591945909.db2.gz AETQNUREVZXXER-CVEARBPZSA-N 2 0 339.443 1.886 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@H]2C)CC1 ZINC000900199161 591948342 /nfs/dbraw/zinc/94/83/42/591948342.db2.gz QRBUZXYXFCEWDN-MSOLQXFVSA-N 2 0 338.540 1.782 20 0 EDADRP C/C(=C\C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1)CN1CCOCC1 ZINC000900339884 591988842 /nfs/dbraw/zinc/98/88/42/591988842.db2.gz SJRKTPSCSVAQJG-WLSWZUKCSA-N 2 0 337.508 1.892 20 0 EDADRP [NH3+]CCCC[C@@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000902391104 591989928 /nfs/dbraw/zinc/98/99/28/591989928.db2.gz UFLWZZOGCCPLDP-QGZVFWFLSA-N 3 0 326.435 1.630 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000900344535 591996631 /nfs/dbraw/zinc/99/66/31/591996631.db2.gz LSOVEWQNLULLMY-QZTJIDSGSA-N 2 0 338.540 1.639 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902518125 592009644 /nfs/dbraw/zinc/00/96/44/592009644.db2.gz KTYDZDRSPVSTKM-YCRSDQPHSA-N 2 0 337.855 1.520 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)ccn2)CC1 ZINC000902751262 592057388 /nfs/dbraw/zinc/05/73/88/592057388.db2.gz RRRALNDCBSUIAL-OCBLOMHFSA-N 2 0 342.487 1.737 20 0 EDADRP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)CC2)CC1 ZINC000902782914 592062272 /nfs/dbraw/zinc/06/22/72/592062272.db2.gz SHPOXMZZEJLTOH-WKWVNEEDSA-N 2 0 333.520 1.948 20 0 EDADRP CCO[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000903018080 592097217 /nfs/dbraw/zinc/09/72/17/592097217.db2.gz WZJVZAXBQFSBNN-QZTJIDSGSA-N 2 0 339.524 1.720 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903171418 592129696 /nfs/dbraw/zinc/12/96/96/592129696.db2.gz PBHHJUJVSLJRRD-CVGRLMLNSA-N 2 0 341.521 1.548 20 0 EDADRP C[C@H]([NH2+]CC1(S(=O)(=O)NC(C)(C)C)CCC1)C1CC[NH+](C)CC1 ZINC000903188473 592135395 /nfs/dbraw/zinc/13/53/95/592135395.db2.gz DVHKQYSFDMPISV-AWEZNQCLSA-N 2 0 345.553 1.947 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000900816804 592135775 /nfs/dbraw/zinc/13/57/75/592135775.db2.gz CNHSQZNDDQGGGM-MSOLQXFVSA-N 2 0 338.540 1.591 20 0 EDADRP C[C@H](NC(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1C[N@H+](C)CCN1C ZINC000900800706 592142181 /nfs/dbraw/zinc/14/21/81/592142181.db2.gz APRTTYIEJJOWOZ-CGTJXYLNSA-N 2 0 332.492 1.430 20 0 EDADRP CO[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000903267239 592149001 /nfs/dbraw/zinc/14/90/01/592149001.db2.gz CBVIAHUHZNOVOW-FVQBIDKESA-N 2 0 341.496 1.941 20 0 EDADRP CN1CCOC[C@]1(CO)C[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000903278655 592150668 /nfs/dbraw/zinc/15/06/68/592150668.db2.gz MLORNMXZKTZEJY-DAWZGUTISA-N 2 0 325.497 1.066 20 0 EDADRP CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)C[C@@H]1C[NH2+]C[C@H]1C ZINC000903426501 592167562 /nfs/dbraw/zinc/16/75/62/592167562.db2.gz MWJJBPNELFTHIU-HIFRSBDPSA-N 2 0 332.448 1.761 20 0 EDADRP CC(C)OCCCNC(=O)C1CC[NH+](C[C@@H]2C[NH2+]C[C@H]2C)CC1 ZINC000903431601 592168451 /nfs/dbraw/zinc/16/84/51/592168451.db2.gz RBYIDWMBQANGTF-WBVHZDCISA-N 2 0 325.497 1.485 20 0 EDADRP c1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)c2c(c1)C[NH2+]CC2 ZINC000903506729 592180317 /nfs/dbraw/zinc/18/03/17/592180317.db2.gz XPZTXDXUVNEHEQ-BGYRXZFFSA-N 3 0 340.515 1.733 20 0 EDADRP COC(=O)c1coc([C@@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903506790 592180687 /nfs/dbraw/zinc/18/06/87/592180687.db2.gz ZMCWEDGNIGAGPZ-YUELXQCFSA-N 2 0 348.447 1.423 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900973127 592182322 /nfs/dbraw/zinc/18/23/22/592182322.db2.gz FZYXCWAMSLFUCI-PHXBYCTMSA-N 2 0 345.487 1.611 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000900959096 592185137 /nfs/dbraw/zinc/18/51/37/592185137.db2.gz UVXNGVOONPFXHJ-JYSRZZCRSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000900998269 592201166 /nfs/dbraw/zinc/20/11/66/592201166.db2.gz YJUMGRKNIHEOMK-SJORKVTESA-N 2 0 336.524 1.534 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000903541120 592201994 /nfs/dbraw/zinc/20/19/94/592201994.db2.gz SGAHSQRYRXDQBW-QPSCCSFWSA-N 2 0 331.382 1.129 20 0 EDADRP C[C@@]1(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)COC(=O)N1 ZINC000903564040 592211796 /nfs/dbraw/zinc/21/17/96/592211796.db2.gz OESNUVNRILXFDT-LNLFQRSKSA-N 2 0 347.459 1.128 20 0 EDADRP C[C@@H]1CN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC[NH3+] ZINC000903558606 592219023 /nfs/dbraw/zinc/21/90/23/592219023.db2.gz OLLHFYBEWLPIQI-UKRRQHHQSA-N 2 0 325.478 1.354 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906649988 592234997 /nfs/dbraw/zinc/23/49/97/592234997.db2.gz IFCMWDNVGSTPKX-CQSZACIVSA-N 2 0 332.448 1.320 20 0 EDADRP COC(=O)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1C ZINC000904351146 592237151 /nfs/dbraw/zinc/23/71/51/592237151.db2.gz UYCVFVZRJXJIRW-INIZCTEOSA-N 2 0 347.459 1.601 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCN(C)CC3)C2)C1 ZINC000906661695 592243756 /nfs/dbraw/zinc/24/37/56/592243756.db2.gz SVSSCJVSUXGFRF-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@@H](C(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO)[NH+](C)C ZINC000901129227 592244365 /nfs/dbraw/zinc/24/43/65/592244365.db2.gz BMAGLGIAXYSWSU-KSZLIROESA-N 2 0 333.476 1.326 20 0 EDADRP Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904398861 592248516 /nfs/dbraw/zinc/24/85/16/592248516.db2.gz UNXRYMILMVKXSP-UHFFFAOYSA-N 2 0 331.439 1.623 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H](CNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000901153497 592264294 /nfs/dbraw/zinc/26/42/94/592264294.db2.gz WSSREZUMMSKTCZ-AEFFLSMTSA-N 2 0 325.497 1.317 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000901156849 592265085 /nfs/dbraw/zinc/26/50/85/592265085.db2.gz IEFJOSSTMVKVHD-DOTOQJQBSA-N 2 0 345.491 1.534 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)C(=O)Nc3ccccc3C[NH3+])C2)CC1 ZINC000906658838 592268817 /nfs/dbraw/zinc/26/88/17/592268817.db2.gz RZDZRXGIXDOAQQ-MRXNPFEDSA-N 2 0 344.459 1.274 20 0 EDADRP CCCNC(=O)C1([NH2+]C[C@H]2CC3(CO2)CC[NH2+]CC3)CCCCC1 ZINC000903733095 592281835 /nfs/dbraw/zinc/28/18/35/592281835.db2.gz JPUGOJGBHFGZAW-MRXNPFEDSA-N 2 0 337.508 1.964 20 0 EDADRP CC1CCN(C(=O)C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)CC1 ZINC000903722244 592283457 /nfs/dbraw/zinc/28/34/57/592283457.db2.gz JKBNRDGFBXOJSR-ICSRJNTNSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(NCC(F)(F)F)C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723604 592284238 /nfs/dbraw/zinc/28/42/38/592284238.db2.gz WWGFWXKOSKCNHE-DZGCQCFKSA-N 2 0 349.397 1.146 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)c1ccsc1 ZINC000903726539 592285151 /nfs/dbraw/zinc/28/51/51/592285151.db2.gz MQOQKVRWARSWIS-WMZOPIPTSA-N 2 0 349.500 1.711 20 0 EDADRP O=C(NC1CCCCC1)C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903727673 592286294 /nfs/dbraw/zinc/28/62/94/592286294.db2.gz WWLUSLSMOOTQAC-QUCCMNQESA-N 2 0 349.519 1.916 20 0 EDADRP C[C@@H]1CN(CC[N@H+](C)C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H](C)O1 ZINC000903753144 592296677 /nfs/dbraw/zinc/29/66/77/592296677.db2.gz RSQPCIWPPWAZKJ-BBWFWOEESA-N 2 0 325.497 1.186 20 0 EDADRP COc1cccc(N2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903734399 592297556 /nfs/dbraw/zinc/29/75/56/592297556.db2.gz YYJSDWFJYWSXPZ-IBGZPJMESA-N 2 0 345.487 1.976 20 0 EDADRP C([C@@H]1CC2(CO1)CC[NH2+]CC2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000903740389 592303651 /nfs/dbraw/zinc/30/36/51/592303651.db2.gz VINUOACZLDABOL-SFHVURJKSA-N 2 0 337.508 1.189 20 0 EDADRP Cc1nsc(N2CCC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)n1 ZINC000903741930 592304873 /nfs/dbraw/zinc/30/48/73/592304873.db2.gz TVDXNQUABBATSM-GOEBONIOSA-N 2 0 337.493 1.127 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCC[N@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)nn1 ZINC000903760989 592307838 /nfs/dbraw/zinc/30/78/38/592307838.db2.gz MKXGYWUBFAADRY-MCIONIFRSA-N 2 0 347.385 1.874 20 0 EDADRP c1c([C@@H]2CCC[N@@H+](C[C@@H]3CCCC[NH2+]C3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000903770148 592310555 /nfs/dbraw/zinc/31/05/55/592310555.db2.gz TUEDYWLKAHDWBN-IAGOWNOFSA-N 3 0 346.523 1.388 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000908095488 592313114 /nfs/dbraw/zinc/31/31/14/592313114.db2.gz WTHGKBCOINLIND-IEBWSBKVSA-N 2 0 349.475 1.261 20 0 EDADRP O=C(Nc1ccccc1C[NH+]1CCC(O)CC1)C12CC[NH+](CC1)C2 ZINC000901255255 592314446 /nfs/dbraw/zinc/31/44/46/592314446.db2.gz ITYYCJBKVMYJJT-UHFFFAOYSA-N 2 0 329.444 1.678 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2)C1 ZINC000903823263 592334027 /nfs/dbraw/zinc/33/40/27/592334027.db2.gz FNGYLVWFTQGVFU-OAHLLOKOSA-N 2 0 325.840 1.510 20 0 EDADRP COc1ccccc1N1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903829591 592334996 /nfs/dbraw/zinc/33/49/96/592334996.db2.gz IBNWTSADIOXECZ-XLIONFOSSA-N 2 0 345.487 1.976 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN1CC[NH+](CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000903879582 592360243 /nfs/dbraw/zinc/36/02/43/592360243.db2.gz DWNBVVQOXYPXEL-MVCQKVDPSA-N 2 0 348.535 1.536 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCCN(c3nccs3)CC2)cnn1C ZINC000903885696 592363445 /nfs/dbraw/zinc/36/34/45/592363445.db2.gz JKPRSCVPIOERDU-HNNXBMFYSA-N 2 0 348.520 1.515 20 0 EDADRP Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903920026 592377081 /nfs/dbraw/zinc/37/70/81/592377081.db2.gz RJNKSAKQDPORSV-CRAIPNDOSA-N 2 0 326.448 1.952 20 0 EDADRP CCOc1ccccc1CC[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903923385 592378536 /nfs/dbraw/zinc/37/85/36/592378536.db2.gz SMJISPQQMRQRRM-INIZCTEOSA-N 2 0 329.448 1.934 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)C1 ZINC000905047679 592379047 /nfs/dbraw/zinc/37/90/47/592379047.db2.gz VGIBHZLFZDMNPF-MHORFTMASA-N 2 0 328.497 1.237 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]C[C@H](O)C3(O)CCCC3)cc2)CC1 ZINC000905051185 592381036 /nfs/dbraw/zinc/38/10/36/592381036.db2.gz ZUIGVNNJVSIISR-IBGZPJMESA-N 2 0 347.503 1.190 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnn1C ZINC000903937994 592387809 /nfs/dbraw/zinc/38/78/09/592387809.db2.gz XEFVALILSMJUSB-DOTOQJQBSA-N 2 0 342.491 1.452 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)CC2(O)CCCC2)cc1 ZINC000905086244 592391486 /nfs/dbraw/zinc/39/14/86/592391486.db2.gz CEIBFKZGHLHZOS-KRWDZBQOSA-N 2 0 336.476 1.773 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CC[C@]3(CC(F)(F)C3(F)F)C2)C1 ZINC000903978207 592399170 /nfs/dbraw/zinc/39/91/70/592399170.db2.gz AAWMYOCQNZBFKP-AAEUAGOBSA-N 2 0 337.361 1.550 20 0 EDADRP C[NH+](C)CCCOc1ccc(C[NH2+]C[C@H](O)C2(O)CCCC2)cc1 ZINC000905096413 592421118 /nfs/dbraw/zinc/42/11/18/592421118.db2.gz IXPQLPGPQZLABG-SFHVURJKSA-N 2 0 336.476 1.773 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C[C@@](C)(O)C(F)F)CC1 ZINC000905156521 592424760 /nfs/dbraw/zinc/42/47/60/592424760.db2.gz ZTWPMDBYSKPICJ-MRXNPFEDSA-N 2 0 335.439 1.219 20 0 EDADRP C[C@@H]1C[N@H+](CCC[NH2+]C[C@H](O)CC2(O)CCCCC2)CCCO1 ZINC000905229304 592458653 /nfs/dbraw/zinc/45/86/53/592458653.db2.gz AMFGSLYVRYADGC-IAGOWNOFSA-N 2 0 328.497 1.523 20 0 EDADRP O[C@H](C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1)C1(O)CCC1 ZINC000905201809 592462450 /nfs/dbraw/zinc/46/24/50/592462450.db2.gz PMDXFXMVBLCYAG-LJQANCHMSA-N 2 0 348.487 1.569 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N1CC[N@H+](C)C2(CCCCC2)C1 ZINC000908571969 592544269 /nfs/dbraw/zinc/54/42/69/592544269.db2.gz PGYJDYBNPILHQB-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP Cc1ccc(NCC[NH2+]C[C@H](O)CN(C)Cc2ccccc2)nc1 ZINC000905605853 592576480 /nfs/dbraw/zinc/57/64/80/592576480.db2.gz SRJYVFSJOYIFQA-SFHVURJKSA-N 2 0 328.460 1.884 20 0 EDADRP CC(C)(C)OC(=O)N1C[C@@H]2[C@@H](C[NH2+]C[C@H](O)C[NH+]3CCCC3)[C@@H]2C1 ZINC000905586700 592582835 /nfs/dbraw/zinc/58/28/35/592582835.db2.gz OAEXSZFWBIEQOK-YHUYYLMFSA-N 2 0 339.480 1.146 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000905669421 592606804 /nfs/dbraw/zinc/60/68/04/592606804.db2.gz XNZMTJFAIGPFGN-IXDOHACOSA-N 2 0 325.497 1.724 20 0 EDADRP OC[C@@H]1CCCN(c2cc(N3CCCC[C@@]4(CC[NH2+]C4)C3)ncn2)C1 ZINC000905677816 592609539 /nfs/dbraw/zinc/60/95/39/592609539.db2.gz AHBVAACTLOIMTP-APWZRJJASA-N 2 0 345.491 1.655 20 0 EDADRP O=c1[nH]c(N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)nc2ccccc21 ZINC000905699725 592613718 /nfs/dbraw/zinc/61/37/18/592613718.db2.gz CDPZWINCHZFZFX-GASCZTMLSA-N 2 0 339.443 1.740 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905907696 592676778 /nfs/dbraw/zinc/67/67/78/592676778.db2.gz MTBCFOYREXHQSX-OALUTQOASA-N 2 0 335.492 1.088 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N(CC[NH+](C)C)Cc2ccsc2)C1 ZINC000909919195 592713530 /nfs/dbraw/zinc/71/35/30/592713530.db2.gz VFVGIKJUTMTIEA-UHFFFAOYSA-N 2 0 338.521 1.132 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C12CC[NH+](CC1)C2 ZINC000907739958 592766831 /nfs/dbraw/zinc/76/68/31/592766831.db2.gz XNOYJMCGFRDBSD-SFHVURJKSA-N 2 0 343.471 1.490 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2ccccc2C[NH3+])([NH+](C)C)C1 ZINC000906645909 592865899 /nfs/dbraw/zinc/86/58/99/592865899.db2.gz NBBXZAZANVLKBC-AUUYWEPGSA-N 2 0 346.475 1.711 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000910869565 592898487 /nfs/dbraw/zinc/89/84/87/592898487.db2.gz JCRAOTWLMJSPOS-GOSISDBHSA-N 2 0 337.508 1.555 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]([NH3+])Cc1cc[nH]n1)c1ccccc1 ZINC000911632695 592970487 /nfs/dbraw/zinc/97/04/87/592970487.db2.gz JGKCUXUWKXEGFU-IAGOWNOFSA-N 2 0 329.448 1.479 20 0 EDADRP O=C(Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1)[C@H]1[C@@H]2CC[NH2+]C[C@@H]21 ZINC000911735939 592992783 /nfs/dbraw/zinc/99/27/83/592992783.db2.gz MLCMXEJVTVNDQO-IKGGRYGDSA-N 2 0 343.427 1.389 20 0 EDADRP CC[NH2+]CCNC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911751310 592997525 /nfs/dbraw/zinc/99/75/25/592997525.db2.gz WDNILXMPMOEMSU-ZDUSSCGKSA-N 2 0 328.254 1.435 20 0 EDADRP CN(CC(C)(C)C[NH3+])C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911868653 593024559 /nfs/dbraw/zinc/02/45/59/593024559.db2.gz RKTMNQULKWBFAQ-LLVKDONJSA-N 2 0 331.382 1.807 20 0 EDADRP O[C@@H](C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1)C1CC1 ZINC000838847595 593224078 /nfs/dbraw/zinc/22/40/78/593224078.db2.gz MZUHZBNRXCAUFI-UXHICEINSA-N 2 0 329.488 1.649 20 0 EDADRP C[N@H+](CC1CC[NH+](C)CC1)CN1C(=O)C2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000811743428 593477819 /nfs/dbraw/zinc/47/78/19/593477819.db2.gz RGDYACAQOIZIAQ-IRXDYDNUSA-N 2 0 335.492 1.778 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817944415 593650912 /nfs/dbraw/zinc/65/09/12/593650912.db2.gz BJTIOSQFDJTDBJ-JTQLQIEISA-N 2 0 331.233 1.539 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCCNC[C@H](O)c2c(F)cccc2F)C1 ZINC000819004474 593733477 /nfs/dbraw/zinc/73/34/77/593733477.db2.gz PBKDMOQQWHJXNW-WFASDCNBSA-N 2 0 341.402 1.175 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)c3c(F)cccc3F)C2)CC1 ZINC000819054261 593735983 /nfs/dbraw/zinc/73/59/83/593735983.db2.gz PJRHZFJHEKXURP-SUMWQHHRSA-N 2 0 339.430 1.756 20 0 EDADRP COC[C@@H](C)OC[C@@H](O)C[NH2+]C1CCC([NH+]2CCCCC2)CC1 ZINC000819137687 593740961 /nfs/dbraw/zinc/74/09/61/593740961.db2.gz HDWIWCCHPGDHNQ-CPFNUKBASA-N 2 0 328.497 1.786 20 0 EDADRP C[NH+](C)CCOCC[NH2+]C[C@@H](O)c1ccc(F)c(Br)c1 ZINC000819211271 593744410 /nfs/dbraw/zinc/74/44/10/593744410.db2.gz YCJCAFIZTSNNPC-CQSZACIVSA-N 2 0 349.244 1.789 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000821917226 593964995 /nfs/dbraw/zinc/96/49/95/593964995.db2.gz BIUVXFQYARMPLZ-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H](CO)C[NH+]2CCCCC2)C1 ZINC000840453385 594005192 /nfs/dbraw/zinc/00/51/92/594005192.db2.gz PSSFPKQRXDKKSJ-PBHICJAKSA-N 2 0 329.460 1.162 20 0 EDADRP COC[C@]1(c2nc(-c3ccccc3OCC[NH+](C)C)no2)CC[NH2+]C1 ZINC000822807891 594103721 /nfs/dbraw/zinc/10/37/21/594103721.db2.gz JWXRLOOXGLWRRA-SFHVURJKSA-N 2 0 346.431 1.555 20 0 EDADRP c1ccc(C[N@@H+]2CCC[C@H](c3nc(N4CC[NH2+]CC4)no3)C2)cc1 ZINC000823315526 594184654 /nfs/dbraw/zinc/18/46/54/594184654.db2.gz MYODNGIJQOGKPD-INIZCTEOSA-N 2 0 327.432 1.859 20 0 EDADRP [NH3+][C@H](CC(=O)NCc1cccc(OCCN2CCOCC2)c1)C1CC1 ZINC000827712692 594263474 /nfs/dbraw/zinc/26/34/74/594263474.db2.gz LRBXEGWIQJBSBJ-GOSISDBHSA-N 2 0 347.459 1.141 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000830734264 594467816 /nfs/dbraw/zinc/46/78/16/594467816.db2.gz JWKYPTCWMSGHCE-GOSISDBHSA-N 2 0 346.475 1.379 20 0 EDADRP Cc1c(C(=O)NC[C@H](C)[NH+]2CCCCC2)nnn1C1CC[NH2+]CC1 ZINC000827473947 594675482 /nfs/dbraw/zinc/67/54/82/594675482.db2.gz MFJMNZDJNGPSQE-ZDUSSCGKSA-N 2 0 334.468 1.115 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@@H]([NH3+])C3CC3)cc2)CC1 ZINC000841017982 594839972 /nfs/dbraw/zinc/83/99/72/594839972.db2.gz NAKDTYIHEHZANY-QGZVFWFLSA-N 2 0 331.464 1.687 20 0 EDADRP CN1CCN(C(=O)NCCCCCCC[NH+]2CCCC2)[C@@H](C[NH3+])C1 ZINC000841850055 594965126 /nfs/dbraw/zinc/96/51/26/594965126.db2.gz WAGKWPGVGZDRQN-KRWDZBQOSA-N 2 0 339.528 1.317 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@]1(F)CC[NH2+]C1 ZINC000841851493 594965265 /nfs/dbraw/zinc/96/52/65/594965265.db2.gz LLICTCNIXKXEKO-SCTDSRPQSA-N 2 0 333.451 1.887 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841928663 594983668 /nfs/dbraw/zinc/98/36/68/594983668.db2.gz QWRHASGYEKQXID-OAHLLOKOSA-N 2 0 348.491 1.174 20 0 EDADRP C[NH+]1CCN(c2ccnc(-c3noc([C@]4(C)CC[NH2+]C4)n3)c2)CC1 ZINC000843208273 595035682 /nfs/dbraw/zinc/03/56/82/595035682.db2.gz IXRSLWPGKZRXNT-QGZVFWFLSA-N 2 0 328.420 1.134 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+]CCCCCC[NH3+])CCC2 ZINC000843340327 595079687 /nfs/dbraw/zinc/07/96/87/595079687.db2.gz AYXLLQFBXOTJST-MRXNPFEDSA-N 2 0 325.478 1.820 20 0 EDADRP C[N@H+](CCOc1ccc(S(C)(=O)=O)cc1)C1CCC([NH3+])CC1 ZINC000843354684 595084984 /nfs/dbraw/zinc/08/49/84/595084984.db2.gz BZSHYACRZPACII-UHFFFAOYSA-N 2 0 326.462 1.671 20 0 EDADRP O=C(CC[N@H+]1CCCC[C@H]1[C@H](O)c1ccccc1)N1CC[NH2+]CC1 ZINC000843358427 595087112 /nfs/dbraw/zinc/08/71/12/595087112.db2.gz ONZCUAFDOOTLJO-PKOBYXMFSA-N 2 0 331.460 1.396 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000844169690 595289702 /nfs/dbraw/zinc/28/97/02/595289702.db2.gz BTCARMXAZFGKJZ-MJGOQNOKSA-N 2 0 343.471 1.633 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000844171745 595290823 /nfs/dbraw/zinc/29/08/23/595290823.db2.gz RRILAIAPTGJAOQ-QZTJIDSGSA-N 2 0 331.460 1.754 20 0 EDADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000844174240 595291972 /nfs/dbraw/zinc/29/19/72/595291972.db2.gz SCOWGBCBKYPABD-MOPGFXCFSA-N 2 0 345.487 1.878 20 0 EDADRP C[NH+]1CCC(ONC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)CC1 ZINC000846647552 595292175 /nfs/dbraw/zinc/29/21/75/595292175.db2.gz VDQKSHIPBCRDPT-UHFFFAOYSA-N 2 0 346.475 1.190 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000843124809 595293114 /nfs/dbraw/zinc/29/31/14/595293114.db2.gz HIFAXNUKCYTKPZ-AEFFLSMTSA-N 2 0 327.432 1.596 20 0 EDADRP CC[NH2+]CC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000844192341 595298430 /nfs/dbraw/zinc/29/84/30/595298430.db2.gz MCSYUMZNGBFHBQ-UHFFFAOYSA-N 2 0 332.492 1.310 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708891 595305051 /nfs/dbraw/zinc/30/50/51/595305051.db2.gz XLGUHUMVWXOFIU-HOTGVXAUSA-N 2 0 346.475 1.663 20 0 EDADRP C[N@H+](CC(=O)NCCN1CCc2ccccc21)C1CCC([NH3+])CC1 ZINC000844220711 595306192 /nfs/dbraw/zinc/30/61/92/595306192.db2.gz KLDPZHWYZUMKDX-UHFFFAOYSA-N 2 0 330.476 1.367 20 0 EDADRP [NH3+]C1(C[NH2+]CCC(=O)Nc2ccc(N3CCOCC3)cc2)CCC1 ZINC000844223119 595307110 /nfs/dbraw/zinc/30/71/10/595307110.db2.gz RMSFJNBTCNTPFZ-UHFFFAOYSA-N 2 0 332.448 1.323 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000848893006 595464268 /nfs/dbraw/zinc/46/42/68/595464268.db2.gz MWHNWDIGOZEQJR-BQYQJAHWSA-N 2 0 335.448 1.581 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC000848897104 595464301 /nfs/dbraw/zinc/46/43/01/595464301.db2.gz FDDNBBGXYUCPOB-SREVYHEPSA-N 2 0 336.432 1.791 20 0 EDADRP COC(=O)/C=C/c1ccc(C[N@H+](C)CCCN2CC[NH+](C)CC2)o1 ZINC000848910224 595466414 /nfs/dbraw/zinc/46/64/14/595466414.db2.gz GDVYKRDSRMHAQK-BQYQJAHWSA-N 2 0 335.448 1.535 20 0 EDADRP C[N@@H+]1CC[C@@H](CNC(=[NH2+])NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000849069873 595477454 /nfs/dbraw/zinc/47/74/54/595477454.db2.gz YUZJHVWTFFFHNL-KRWDZBQOSA-N 3 0 329.492 1.717 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCO1 ZINC000849094310 595480685 /nfs/dbraw/zinc/48/06/85/595480685.db2.gz FDXQNSPSGXXZTC-AEFFLSMTSA-N 2 0 330.476 1.796 20 0 EDADRP Cc1cccc(NC(=[NH2+])NCC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000849116242 595484581 /nfs/dbraw/zinc/48/45/81/595484581.db2.gz KEHDRTDXHRDDDU-UHFFFAOYSA-N 2 0 345.491 1.728 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849491594 595549536 /nfs/dbraw/zinc/54/95/36/595549536.db2.gz ZRKNCFDGPOYVLY-ZACQAIPSSA-N 2 0 333.480 1.056 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NC[C@@H](C)[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849495933 595550342 /nfs/dbraw/zinc/55/03/42/595550342.db2.gz GXQHVZKTDQSJOE-PVAVHDDUSA-N 2 0 335.496 1.300 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@@H]2C(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000849495275 595550368 /nfs/dbraw/zinc/55/03/68/595550368.db2.gz BSMHRRBWTMQHBS-ROUUACIJSA-N 2 0 347.507 1.448 20 0 EDADRP CC1(C)CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852866136 595585820 /nfs/dbraw/zinc/58/58/20/595585820.db2.gz FSYLELOZAVNNQE-OAHLLOKOSA-N 2 0 330.432 1.213 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC[C@H]2CCC[NH+](C)C2)cn1 ZINC000849600118 595588870 /nfs/dbraw/zinc/58/88/70/595588870.db2.gz DCLZDKQEDRKFEP-NXHRZFHOSA-N 2 0 347.507 1.304 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)C=C3CC[NH2+]CC3)c2)CC1 ZINC000852872373 595591294 /nfs/dbraw/zinc/59/12/94/595591294.db2.gz FJPXUHKLKJFQLP-UHFFFAOYSA-N 2 0 328.460 1.682 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@@H]([NH3+])C2CC2)cc1 ZINC000852906545 595609243 /nfs/dbraw/zinc/60/92/43/595609243.db2.gz HWCIOCRGEGAHBZ-KSZLIROESA-N 2 0 331.460 1.774 20 0 EDADRP C[C@H]1CCc2nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn2C1 ZINC000857926675 595654897 /nfs/dbraw/zinc/65/48/97/595654897.db2.gz IIGSOZMZRVEEQD-INIZCTEOSA-N 2 0 349.523 1.811 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000858546916 595824311 /nfs/dbraw/zinc/82/43/11/595824311.db2.gz BCOJLOWVPPNZDW-MGPQQGTHSA-N 2 0 334.407 1.400 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CCO1 ZINC000853823311 595892594 /nfs/dbraw/zinc/89/25/94/595892594.db2.gz UYCPYRVYISQWSE-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC([N@@H+]3CC[C@@H](O)C3)CC2)C1 ZINC000853823523 595892682 /nfs/dbraw/zinc/89/26/82/595892682.db2.gz XSIFRDLNXAYCSQ-DJIMGWMZSA-N 2 0 338.496 1.100 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280681 595941173 /nfs/dbraw/zinc/94/11/73/595941173.db2.gz BESQISRPWKEKGX-IAGOWNOFSA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[S@](C)=O)C2)ccn1 ZINC000856603764 596032437 /nfs/dbraw/zinc/03/24/37/596032437.db2.gz FPMBCHKADOAASA-HXOBKFHXSA-N 2 0 339.505 1.753 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000861573546 596033384 /nfs/dbraw/zinc/03/33/84/596033384.db2.gz IUFJGMNJEXARHS-CQSZACIVSA-N 2 0 334.464 1.132 20 0 EDADRP C[N@@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc(S(N)(=O)=O)cc1)C2 ZINC000852106074 596045773 /nfs/dbraw/zinc/04/57/73/596045773.db2.gz TWRKJXWDZLQMTI-KRWDZBQOSA-N 2 0 337.489 1.294 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000861630623 596051315 /nfs/dbraw/zinc/05/13/15/596051315.db2.gz UFMUEDFDPWQQMS-IBGZPJMESA-N 2 0 348.491 1.515 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000861745369 596086333 /nfs/dbraw/zinc/08/63/33/596086333.db2.gz JQRCTXIJGXKCEE-NVXWUHKLSA-N 2 0 348.491 1.065 20 0 EDADRP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000861745368 596086365 /nfs/dbraw/zinc/08/63/65/596086365.db2.gz JQRCTXIJGXKCEE-DOTOQJQBSA-N 2 0 348.491 1.065 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)C[C@H](C)[NH3+])c(C)c2)CC1 ZINC000859621422 596148716 /nfs/dbraw/zinc/14/87/16/596148716.db2.gz LGRFIRWEBXFSSK-HNNXBMFYSA-N 2 0 333.480 1.948 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc(CC[C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000857253520 596198588 /nfs/dbraw/zinc/19/85/88/596198588.db2.gz OPDWWRUBRVZONT-AWEZNQCLSA-N 2 0 349.479 1.097 20 0 EDADRP C[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000852744941 596237456 /nfs/dbraw/zinc/23/74/56/596237456.db2.gz LKBDVZSZBSMSJS-OAHLLOKOSA-N 2 0 341.377 1.927 20 0 EDADRP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)CS(N)(=O)=O)CC2)C1 ZINC000866569810 596254430 /nfs/dbraw/zinc/25/44/30/596254430.db2.gz DXISMPMZPCHHLC-HOCLYGCPSA-N 2 0 345.553 1.934 20 0 EDADRP NC(=O)c1ccc(CC[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000866667651 596286262 /nfs/dbraw/zinc/28/62/62/596286262.db2.gz UAGLALLUTFCPII-KSZLIROESA-N 2 0 331.460 1.546 20 0 EDADRP CN1CCC(CNC(=O)CC[NH2+]CC2CC2)([NH+]2CCCCC2)CC1 ZINC000870894412 596393475 /nfs/dbraw/zinc/39/34/75/596393475.db2.gz SEPODILPZVFLKS-UHFFFAOYSA-N 2 0 336.524 1.443 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)C1 ZINC000870994171 596432686 /nfs/dbraw/zinc/43/26/86/596432686.db2.gz OGNJOXIJLJUWQX-GUYCJALGSA-N 2 0 334.468 1.040 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=S)NCc2ccccc2)C[C@H]1C[NH+](C)C ZINC000865245403 596522323 /nfs/dbraw/zinc/52/23/23/596522323.db2.gz KEDFEJFFZKXIGI-IAGOWNOFSA-N 2 0 334.533 1.732 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccnc2Br)CC1 ZINC000865414900 596567433 /nfs/dbraw/zinc/56/74/33/596567433.db2.gz VTVRMMFCAHPKQH-ZDUSSCGKSA-N 2 0 341.297 1.960 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](Cc2ccc3c(c2)CCC3)CC1 ZINC000863549807 596614420 /nfs/dbraw/zinc/61/44/20/596614420.db2.gz RRSKVDDHUODVSM-RBUKOAKNSA-N 2 0 341.455 1.932 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000869777262 596627999 /nfs/dbraw/zinc/62/79/99/596627999.db2.gz LHGMKBZUGDCBFN-SFHVURJKSA-N 2 0 345.487 1.857 20 0 EDADRP CC[C@H]1C[C@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)CCO1 ZINC000863642018 596640769 /nfs/dbraw/zinc/64/07/69/596640769.db2.gz IDLMRXRAYZIFFE-XBVQOTNRSA-N 2 0 337.464 1.449 20 0 EDADRP CC1(C)[C@H]([NH3+])c2ccccc2N1C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000867987272 596645595 /nfs/dbraw/zinc/64/55/95/596645595.db2.gz JBBDDCFXENKPDI-MLGOLLRUSA-N 2 0 340.431 1.641 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H](O)C2CCCCC2)C[C@H]1C[NH+](C)C ZINC000870019980 596711440 /nfs/dbraw/zinc/71/14/40/596711440.db2.gz XVGZDIYELMSJKI-ZACQAIPSSA-N 2 0 325.497 1.125 20 0 EDADRP C[C@H](OCc1ccccc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019606 596711540 /nfs/dbraw/zinc/71/15/40/596711540.db2.gz KIZNSAQVSAKMJW-QXAKKESOSA-N 2 0 347.503 1.790 20 0 EDADRP Cn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C1CC1 ZINC000870023064 596713239 /nfs/dbraw/zinc/71/32/39/596713239.db2.gz KIFGNMNODQCHFP-HUUCEWRRSA-N 2 0 333.480 1.109 20 0 EDADRP Cc1noc(C)c1[C@@H](C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870022852 596713380 /nfs/dbraw/zinc/71/33/80/596713380.db2.gz ASRKGQASQYUQAZ-DAXOMENPSA-N 2 0 336.480 1.593 20 0 EDADRP Cc1cc(C)n(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870023754 596713730 /nfs/dbraw/zinc/71/37/30/596713730.db2.gz LJHUMYIEQSCVBZ-IAGOWNOFSA-N 2 0 335.496 1.088 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2n[nH]c3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000870024089 596713732 /nfs/dbraw/zinc/71/37/32/596713732.db2.gz ROXCSILMZPSSHW-ZIAGYGMSSA-N 2 0 333.480 1.100 20 0 EDADRP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)CCO1 ZINC000872032928 596798123 /nfs/dbraw/zinc/79/81/23/596798123.db2.gz CKGWRRNAXPQRIX-PMPSAXMXSA-N 2 0 325.497 1.757 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)CCO1 ZINC000872158701 596817113 /nfs/dbraw/zinc/81/71/13/596817113.db2.gz XENRFIYVLODVGT-JFIYKMOQSA-N 2 0 337.508 1.853 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CC[NH2+]CCC3(C)C)cc2)CC1 ZINC000872297750 596872236 /nfs/dbraw/zinc/87/22/36/596872236.db2.gz VEHMSGALMCCAHG-UHFFFAOYSA-N 2 0 344.503 1.648 20 0 EDADRP CCn1ccnc1[C@@H](C)NC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000875644814 596931418 /nfs/dbraw/zinc/93/14/18/596931418.db2.gz NPMQOUKOMJGNKG-OAHLLOKOSA-N 2 0 349.479 1.718 20 0 EDADRP Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1C ZINC000875660123 596937234 /nfs/dbraw/zinc/93/72/34/596937234.db2.gz UOHVNDBAKCPGPS-IAGOWNOFSA-N 2 0 347.507 1.579 20 0 EDADRP C[C@H]1SCC[C@H]1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875693783 596949041 /nfs/dbraw/zinc/94/90/41/596949041.db2.gz YEWKVJAAIBEYOA-KBUPBQIOSA-N 2 0 328.526 1.261 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(Cl)n1C ZINC000874266320 596991960 /nfs/dbraw/zinc/99/19/60/596991960.db2.gz JJVOCMYXCUVNSZ-CYBMUJFWSA-N 2 0 341.887 1.562 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)c1 ZINC000874365654 597037966 /nfs/dbraw/zinc/03/79/66/597037966.db2.gz RUXLTZKAPREFGW-IAGOWNOFSA-N 2 0 344.459 1.382 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000874432679 597076443 /nfs/dbraw/zinc/07/64/43/597076443.db2.gz PJIFEIUDGYJWAG-BZUAXINKSA-N 2 0 332.448 1.952 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@H](C)C2CC[NH2+]CC2)cc1OC ZINC000873221526 597231380 /nfs/dbraw/zinc/23/13/80/597231380.db2.gz VQYZOPJARSPKSV-CQSZACIVSA-N 2 0 349.475 1.688 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000873259780 597241073 /nfs/dbraw/zinc/24/10/73/597241073.db2.gz LGCRDNVWMQJWLT-LUYZLQTOSA-N 2 0 337.489 1.776 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)C2CC[NH2+]CC2)cc1 ZINC000873265243 597243325 /nfs/dbraw/zinc/24/33/25/597243325.db2.gz LSXVLVNZBNCBQH-CHWSQXEVSA-N 2 0 325.478 1.633 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCc2ccc(S(N)(=O)=O)cc21)C1CC[NH2+]CC1 ZINC000873269671 597243897 /nfs/dbraw/zinc/24/38/97/597243897.db2.gz JKILUYNDYKJUSX-SJKOYZFVSA-N 2 0 337.489 1.689 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)C1(F)F ZINC000876708795 597296996 /nfs/dbraw/zinc/29/69/96/597296996.db2.gz AWHGNPBDVAUUSI-NTZNESFSSA-N 2 0 329.416 1.841 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000876724236 597306795 /nfs/dbraw/zinc/30/67/95/597306795.db2.gz QVGLYACKNQOJNP-CVEARBPZSA-N 2 0 333.480 1.720 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876740511 597316941 /nfs/dbraw/zinc/31/69/41/597316941.db2.gz OLONJJFLSQTBSV-LRDDRELGSA-N 2 0 336.411 1.463 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2c(C[NH3+])cnn2C)[NH+]2CCCC2)cc1 ZINC000876740585 597316971 /nfs/dbraw/zinc/31/69/71/597316971.db2.gz JHRXJNJWRBBBFY-KRWDZBQOSA-N 2 0 341.459 1.754 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876742281 597317645 /nfs/dbraw/zinc/31/76/45/597317645.db2.gz XARRDXQPSCGFSG-CABCVRRESA-N 2 0 333.480 1.605 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H](N)C[NH+](C)C ZINC000876744471 597318036 /nfs/dbraw/zinc/31/80/36/597318036.db2.gz VDRDCFKJXJXCOM-HNNXBMFYSA-N 2 0 336.505 1.371 20 0 EDADRP Cc1cc(NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000876769370 597332036 /nfs/dbraw/zinc/33/20/36/597332036.db2.gz VKMBQWZHDJMBEC-YVACAVLKSA-N 2 0 331.464 1.953 20 0 EDADRP O=C([C@H](F)[C@H]1CC[NH2+]C1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000876774120 597334944 /nfs/dbraw/zinc/33/49/44/597334944.db2.gz MAECBNXKKBTCCH-GOEBONIOSA-N 2 0 327.444 1.037 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000876782023 597339011 /nfs/dbraw/zinc/33/90/11/597339011.db2.gz LQYYKVMAOCSOIQ-UHFFFAOYSA-N 2 0 342.447 1.273 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000876840766 597355604 /nfs/dbraw/zinc/35/56/04/597355604.db2.gz FISHUAUIBBETQR-YJBOKZPZSA-N 2 0 331.464 1.332 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000876868885 597363765 /nfs/dbraw/zinc/36/37/65/597363765.db2.gz NEDBUJLGTMIUPN-BRWVUGGUSA-N 2 0 345.491 1.578 20 0 EDADRP COC[C@@]1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C[NH2+]CCO1 ZINC000876881656 597368737 /nfs/dbraw/zinc/36/87/37/597368737.db2.gz MEYZFXQNNVMYNI-LJQANCHMSA-N 2 0 347.459 1.268 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000876910090 597381062 /nfs/dbraw/zinc/38/10/62/597381062.db2.gz SHWFMKVVTFQXDC-QGZVFWFLSA-N 2 0 345.491 1.720 20 0 EDADRP O=C(NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000876961782 597397942 /nfs/dbraw/zinc/39/79/42/597397942.db2.gz XASQURFCQMPLMU-NSHGMRRFSA-N 2 0 343.471 1.402 20 0 EDADRP O=C(CC[NH2+]CC1CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000876961765 597398031 /nfs/dbraw/zinc/39/80/31/597398031.db2.gz WXBHAYOPTLVJMR-GOSISDBHSA-N 2 0 331.460 1.259 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000877009013 597410300 /nfs/dbraw/zinc/41/03/00/597410300.db2.gz DXIOHBJYBYEFED-LSDHHAIUSA-N 2 0 332.448 1.290 20 0 EDADRP C[NH+](C)Cc1cc(C[NH2+]CC2CCS(=O)(=O)CC2)ccc1F ZINC000877044928 597420977 /nfs/dbraw/zinc/42/09/77/597420977.db2.gz LLZABURCAJNKRZ-UHFFFAOYSA-N 2 0 328.453 1.802 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201859 597460625 /nfs/dbraw/zinc/46/06/25/597460625.db2.gz RREHTZSQSDACIO-IBGZPJMESA-N 2 0 345.487 1.783 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]1CCC[N@H+](Cc3ccccc3)C1)C2 ZINC000877374666 597503982 /nfs/dbraw/zinc/50/39/82/597503982.db2.gz NAMKCRUDXNXAFL-CMKODMSKSA-N 2 0 327.472 1.967 20 0 EDADRP CN(CCCCCC[NH3+])C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000877439326 597515675 /nfs/dbraw/zinc/51/56/75/597515675.db2.gz DKDPQVYHXYMYAY-UHFFFAOYSA-N 2 0 347.507 1.571 20 0 EDADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)C1)C1CCCC1 ZINC000877445342 597516497 /nfs/dbraw/zinc/51/64/97/597516497.db2.gz PVHUYNOBROJYMO-WMEZAQDKSA-N 2 0 335.492 1.369 20 0 EDADRP COc1cccc(OC)c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670355 597546633 /nfs/dbraw/zinc/54/66/33/597546633.db2.gz KSDGPPRXCMINRD-HZPDHXFCSA-N 2 0 335.492 1.875 20 0 EDADRP c1nnnn1CCN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000878160038 597583064 /nfs/dbraw/zinc/58/30/64/597583064.db2.gz DICKMKHFPBJDJJ-GOSISDBHSA-N 2 0 326.448 1.661 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3CSC[C@H]3C2)CC1 ZINC000879558332 597631654 /nfs/dbraw/zinc/63/16/54/597631654.db2.gz IRGAMDZJPJMSDX-HUUCEWRRSA-N 2 0 325.522 1.660 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CCC[C@](CO)(c3ccccc3)C2)CC1 ZINC000878562600 597635643 /nfs/dbraw/zinc/63/56/43/597635643.db2.gz AYMNJERGOQWCOT-FQEVSTJZSA-N 2 0 345.487 1.223 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000883062050 597636707 /nfs/dbraw/zinc/63/67/07/597636707.db2.gz PJJBAWPIAPGQQT-NVXWUHKLSA-N 2 0 334.464 1.691 20 0 EDADRP C[NH+]1CCN(C2CC[NH+](CCC(=O)Nc3cccc(F)c3)CC2)CC1 ZINC000879590821 597647682 /nfs/dbraw/zinc/64/76/82/597647682.db2.gz FPDSLKLXERHZTB-UHFFFAOYSA-N 2 0 348.466 1.866 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000879590776 597647704 /nfs/dbraw/zinc/64/77/04/597647704.db2.gz DNWGFFFMDQBFMX-LJQANCHMSA-N 2 0 347.503 1.447 20 0 EDADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H](O)CC(C)(C)O ZINC000878603202 597651644 /nfs/dbraw/zinc/65/16/44/597651644.db2.gz UIIJIYPGLBCUQQ-LJQANCHMSA-N 2 0 349.519 1.258 20 0 EDADRP C[C@H](C[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H](C)CO)c1ccccc1 ZINC000878619393 597657038 /nfs/dbraw/zinc/65/70/38/597657038.db2.gz LQOTZCAFTPHSEL-SJORKVTESA-N 2 0 347.503 1.683 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@@H](c2cccs2)C(C)(C)CO)CC1 ZINC000878621562 597657920 /nfs/dbraw/zinc/65/79/20/597657920.db2.gz DFQLHGAMVFXTOG-INIZCTEOSA-N 2 0 339.505 1.608 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N[C@@H]1CC[NH2+]C1 ZINC000883585581 597813575 /nfs/dbraw/zinc/81/35/75/597813575.db2.gz RHDSKEHMXDQRHE-NVXWUHKLSA-N 2 0 329.448 1.454 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883586381 597814389 /nfs/dbraw/zinc/81/43/89/597814389.db2.gz KQUUJKKUUHSABM-FHLIZLRMSA-N 2 0 343.475 1.782 20 0 EDADRP O=C(Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1)N1CCC[NH2+]CC1 ZINC000883586763 597815005 /nfs/dbraw/zinc/81/50/05/597815005.db2.gz RWOMGCYCSQDPCD-GOSISDBHSA-N 2 0 343.475 1.798 20 0 EDADRP COCC[N@@H+](CC(=O)NC(C1CC1)C1CC1)CC1CC[NH+](C)CC1 ZINC000879125705 597827825 /nfs/dbraw/zinc/82/78/25/597827825.db2.gz HCCWFTPFJXVGAF-UHFFFAOYSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000884021320 597970022 /nfs/dbraw/zinc/97/00/22/597970022.db2.gz XYAZZYILWFCLMS-UHFFFAOYSA-N 2 0 327.428 1.716 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000884179086 598016462 /nfs/dbraw/zinc/01/64/62/598016462.db2.gz DTTSVCRZPXJEKM-HOTGVXAUSA-N 2 0 339.867 1.957 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000884206566 598028725 /nfs/dbraw/zinc/02/87/25/598028725.db2.gz YJHSDIRSSZQVLL-KRWDZBQOSA-N 2 0 338.540 1.671 20 0 EDADRP CN(C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000884213210 598031432 /nfs/dbraw/zinc/03/14/32/598031432.db2.gz WAQVBEWCGNEBQU-RDJZCZTQSA-N 2 0 327.428 1.998 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000884239724 598039355 /nfs/dbraw/zinc/03/93/55/598039355.db2.gz ZUZJIFLBFRVOCN-IAGOWNOFSA-N 2 0 343.475 1.095 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000884243607 598040840 /nfs/dbraw/zinc/04/08/40/598040840.db2.gz LNQDPGGYPQKQCU-UHFFFAOYSA-N 2 0 326.400 1.578 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)CC[NH2+]1 ZINC000884273820 598050500 /nfs/dbraw/zinc/05/05/00/598050500.db2.gz YOOKNFQQOIMWOU-WQAKAFBOSA-N 2 0 326.238 1.706 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CC[C@@H]2CC(C)(C)CO2)C[C@H]1C[NH+](C)C ZINC000881019674 598054180 /nfs/dbraw/zinc/05/41/80/598054180.db2.gz DGHYILXJFXMXQU-BRWVUGGUSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000884300601 598058993 /nfs/dbraw/zinc/05/89/93/598058993.db2.gz CWHWTYTWDIECCL-IRXDYDNUSA-N 2 0 331.460 1.747 20 0 EDADRP [NH3+][C@@H](C(=O)N1CC[C@]2(CCC[NH2+]2)C1)c1ccc(Br)cc1 ZINC000884345257 598076051 /nfs/dbraw/zinc/07/60/51/598076051.db2.gz ZQFHXTVFUCWDCK-UKRRQHHQSA-N 2 0 338.249 1.803 20 0 EDADRP C[C@H](CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)[NH+](C)C ZINC000884401262 598093753 /nfs/dbraw/zinc/09/37/53/598093753.db2.gz JKSWZFLTDBLVTR-MFKMUULPSA-N 2 0 328.254 1.905 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccc(Br)cc2)C[NH2+]1 ZINC000884437895 598105154 /nfs/dbraw/zinc/10/51/54/598105154.db2.gz PEXHYCQTZKRUOV-OASPWFOLSA-N 2 0 326.238 1.706 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)cc1 ZINC000884451493 598108935 /nfs/dbraw/zinc/10/89/35/598108935.db2.gz RGUVVBQXQALPQW-DLBZAZTESA-N 2 0 337.427 1.558 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000914076093 695071464 /nfs/dbraw/zinc/07/14/64/695071464.db2.gz PPDHGIOQXXGSFN-WBVHZDCISA-N 2 0 338.496 1.413 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914081391 695078702 /nfs/dbraw/zinc/07/87/02/695078702.db2.gz VPMCAZJILFTWPO-PMPSAXMXSA-N 2 0 340.537 1.740 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]Cc4cnon4)[C@@H]3C2)CCC1 ZINC000992709176 695225897 /nfs/dbraw/zinc/22/58/97/695225897.db2.gz HRNKXRYYIWRGKM-NUEKZKHPSA-N 2 0 347.463 1.271 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995017519 699983695 /nfs/dbraw/zinc/98/36/95/699983695.db2.gz VXBHIGFNHBBQTF-CABCVRRESA-N 2 0 347.463 1.381 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCOCC3)[C@@H]2C1 ZINC000992922361 695455551 /nfs/dbraw/zinc/45/55/51/695455551.db2.gz TUWMLMOQIXCKOL-OTWHNJEPSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1conc1C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992925118 695456923 /nfs/dbraw/zinc/45/69/23/695456923.db2.gz ZVWLNFXPMBSRFA-YESZJQIVSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(NC1CN(CC2CC(F)(F)C2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001031081730 695483837 /nfs/dbraw/zinc/48/38/37/695483837.db2.gz BPWGFVWEIQEHOA-CABCVRRESA-N 2 0 327.419 1.849 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@H]2CC[NH+]2C2CCOCC2)C1 ZINC000915136302 695748448 /nfs/dbraw/zinc/74/84/48/695748448.db2.gz OXSFWKQLZUVBOC-DOTOQJQBSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1c1cc[nH+]cc1 ZINC000915258098 695772424 /nfs/dbraw/zinc/77/24/24/695772424.db2.gz UTABWXFDHXWHNL-MRXNPFEDSA-N 2 0 328.460 1.995 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000915360464 695801142 /nfs/dbraw/zinc/80/11/42/695801142.db2.gz GJWFGKYPISHCRW-GDBMZVCRSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CC1CCC1 ZINC000993362320 696009165 /nfs/dbraw/zinc/00/91/65/696009165.db2.gz HLGBZVLTJVXKNK-NVXWUHKLSA-N 2 0 347.507 1.828 20 0 EDADRP C[C@H]1[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCC[N@@H+]1CCn1cncn1 ZINC000993669285 696298538 /nfs/dbraw/zinc/29/85/38/696298538.db2.gz AFXISHODKVAADT-JKSUJKDBSA-N 2 0 348.495 1.122 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]2CC[N@@H+]2C)cc1 ZINC000916808167 696784642 /nfs/dbraw/zinc/78/46/42/696784642.db2.gz RGEABMWCWOWNRH-MRXNPFEDSA-N 2 0 334.464 1.173 20 0 EDADRP Cc1nnsc1[C@H](C)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000929954769 696822846 /nfs/dbraw/zinc/82/28/46/696822846.db2.gz XZMDLVJTLBWKAC-LBPRGKRZSA-N 2 0 325.482 1.297 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CCCN(Cc2cnc(C)nc2)[C@@H]1C ZINC000994428628 696856234 /nfs/dbraw/zinc/85/62/34/696856234.db2.gz XIBZFCOXWAJGBV-CXAGYDPISA-N 2 0 342.447 1.459 20 0 EDADRP C[C@@H](NC(=O)NCc1cc(N(C)C)cc[nH+]1)[C@@H](C)N1CCOCC1 ZINC000917015734 696877553 /nfs/dbraw/zinc/87/75/53/696877553.db2.gz MEGCQCIDPSOYFT-ZIAGYGMSSA-N 2 0 335.452 1.056 20 0 EDADRP Cc1cncc(C[N@H+]2CCC[C@@H](NC(=O)Cn3ccnc3)[C@@H]2C)c1 ZINC000994511154 696955989 /nfs/dbraw/zinc/95/59/89/696955989.db2.gz VOJYWWKGTYFOBX-DOTOQJQBSA-N 2 0 327.432 1.756 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CC(NC(=O)c3ccccc3C[NH+](C)C)C2)CCO1 ZINC001031437762 697107500 /nfs/dbraw/zinc/10/75/00/697107500.db2.gz LEEWWTHRHIXOBT-JKSUJKDBSA-N 2 0 345.487 1.977 20 0 EDADRP CN(C)c1cccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC001031579699 697275342 /nfs/dbraw/zinc/27/53/42/697275342.db2.gz KKXGJUNKSWHVAP-SFHVURJKSA-N 2 0 330.476 1.395 20 0 EDADRP CCc1ccc([C@H](O)C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031585264 697280937 /nfs/dbraw/zinc/28/09/37/697280937.db2.gz USSHMKDGMWOWNZ-RTBURBONSA-N 2 0 345.487 1.425 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccnc1 ZINC000919628431 697305234 /nfs/dbraw/zinc/30/52/34/697305234.db2.gz SKLJQDZLCSBQCN-ROUUACIJSA-N 2 0 345.491 1.858 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCC[C@H]3CCOC3)C2)CC[N@@H+]1C ZINC001031687001 697517183 /nfs/dbraw/zinc/51/71/83/697517183.db2.gz XLGUBXLCGOUZAS-RYQLBKOJSA-N 2 0 337.508 1.581 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccccc2)C1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031688881 697527384 /nfs/dbraw/zinc/52/73/84/697527384.db2.gz MYQFIUBRWUAWGA-ROUUACIJSA-N 2 0 329.444 1.098 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](C[C@@H](OC)C2CCC2)C1 ZINC001031713738 697735053 /nfs/dbraw/zinc/73/50/53/697735053.db2.gz DMHJKTOMYXPKIP-ZWKOTPCHSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCCO2)C1 ZINC001031713835 697739572 /nfs/dbraw/zinc/73/95/72/697739572.db2.gz GHGSRDGQYUWWKC-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)c2ccccc2)C1 ZINC001031713893 697740188 /nfs/dbraw/zinc/74/01/88/697740188.db2.gz HRBPVVFENMVIQT-RTBURBONSA-N 2 0 345.487 1.642 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1)C1CC[NH2+]CC1 ZINC000237927773 698517602 /nfs/dbraw/zinc/51/76/02/698517602.db2.gz MPYJOHOXNPJANI-AWEZNQCLSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CC(CNC(=O)C34CCC[NH+](CCC3)C4)C2)CCO1 ZINC001031764734 699049884 /nfs/dbraw/zinc/04/98/84/699049884.db2.gz MIWKPIGXJOZYPJ-IAGOWNOFSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054417 699114816 /nfs/dbraw/zinc/11/48/16/699114816.db2.gz JDQTXZXBHPKZJM-YVEFUNNKSA-N 2 0 334.464 1.570 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2ccccc2F)C1 ZINC001031776778 699169697 /nfs/dbraw/zinc/16/96/97/699169697.db2.gz NXDGRAUYDXCRGM-SFHVURJKSA-N 2 0 333.451 1.901 20 0 EDADRP CC1CC(C[NH+]2CC(N3CCN(C(=O)C[N@@H+]4CCC[C@H]4C)CC3)C2)C1 ZINC000941566722 701585357 /nfs/dbraw/zinc/58/53/57/701585357.db2.gz KYTAEQPDXVBXOM-LXPRWKDFSA-N 2 0 348.535 1.345 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1nccs1 ZINC000939256904 699434109 /nfs/dbraw/zinc/43/41/09/699434109.db2.gz GLEGUWAVVXAZGI-DZGCQCFKSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1ccn(C)n1 ZINC000939257008 699434257 /nfs/dbraw/zinc/43/42/57/699434257.db2.gz HYSDXKDGJVMWPT-PBHICJAKSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939398915 699548402 /nfs/dbraw/zinc/54/84/02/699548402.db2.gz SUBJOVKPWMXICQ-CABCVRRESA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccnc(Cl)c1 ZINC000939543297 699684476 /nfs/dbraw/zinc/68/44/76/699684476.db2.gz CFRUTCPPTKHODC-DZGCQCFKSA-N 2 0 348.878 1.767 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)sc1C ZINC000939544761 699686747 /nfs/dbraw/zinc/68/67/47/699686747.db2.gz MGYGUEYHAZSYRW-IUODEOHRSA-N 2 0 348.516 1.792 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccncc1Cl ZINC000939546111 699688206 /nfs/dbraw/zinc/68/82/06/699688206.db2.gz QBIHJRAFABMTRR-CJNGLKHVSA-N 2 0 348.878 1.767 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)c(C)s1 ZINC000939546953 699689235 /nfs/dbraw/zinc/68/92/35/699689235.db2.gz UTQUEBLJIIGKRI-MLGOLLRUSA-N 2 0 348.516 1.792 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1ccc(F)c(F)c1 ZINC000939757618 699924836 /nfs/dbraw/zinc/92/48/36/699924836.db2.gz ZCUFJKXOYACXMK-DYVFJYSZSA-N 2 0 337.414 1.997 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995012117 699953275 /nfs/dbraw/zinc/95/32/75/699953275.db2.gz DSERHOXAJMJWFW-HZPDHXFCSA-N 2 0 346.475 1.986 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@H]2C)ncn1 ZINC000939811810 699959704 /nfs/dbraw/zinc/95/97/04/699959704.db2.gz USVPZOZFOMLTPJ-CRAIPNDOSA-N 2 0 345.491 1.598 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccnn2C)CC1 ZINC000940143467 700272598 /nfs/dbraw/zinc/27/25/98/700272598.db2.gz WLKVUCVSTNMIJA-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)o1 ZINC000940149237 700282007 /nfs/dbraw/zinc/28/20/07/700282007.db2.gz HXRDAYLJEJSBST-MRXNPFEDSA-N 2 0 349.479 1.443 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC000940176806 700309663 /nfs/dbraw/zinc/30/96/63/700309663.db2.gz PPEJDTOOYFNHHI-CYBMUJFWSA-N 2 0 337.468 1.443 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)nn1C ZINC000940178048 700311300 /nfs/dbraw/zinc/31/13/00/700311300.db2.gz AOOXJQMQUQTSCE-QGZVFWFLSA-N 2 0 347.507 1.684 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000940174117 700328552 /nfs/dbraw/zinc/32/85/52/700328552.db2.gz OVCQLYJFAFQBCQ-UHFFFAOYSA-N 2 0 347.463 1.416 20 0 EDADRP CC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC000940219666 700381142 /nfs/dbraw/zinc/38/11/42/700381142.db2.gz UFMNTZGFEDOKQY-KOHRHEQBSA-N 2 0 333.476 1.230 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000940327581 700504545 /nfs/dbraw/zinc/50/45/45/700504545.db2.gz JWPDOOGESLKROS-UKRRQHHQSA-N 2 0 334.464 1.651 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)nn1 ZINC000940366429 700548103 /nfs/dbraw/zinc/54/81/03/700548103.db2.gz XWOOWGRWDBKEOD-UHFFFAOYSA-N 2 0 348.495 1.018 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]Cc3cnns3)CC2)C1 ZINC000940426266 700620063 /nfs/dbraw/zinc/62/00/63/700620063.db2.gz MJBBWVBYURJAHZ-CYBMUJFWSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940426273 700620105 /nfs/dbraw/zinc/62/01/05/700620105.db2.gz MQFGSBNERPQYPU-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1ncoc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995076010 700641499 /nfs/dbraw/zinc/64/14/99/700641499.db2.gz BTSHGRFCLRGWFX-GOEBONIOSA-N 2 0 334.464 1.699 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3cncc(F)c3)C2)CC1 ZINC000995076667 700651589 /nfs/dbraw/zinc/65/15/89/700651589.db2.gz DYLQGKALVGWASN-RDTXWAMCSA-N 2 0 348.466 1.937 20 0 EDADRP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457451 700660945 /nfs/dbraw/zinc/66/09/45/700660945.db2.gz GOBVLQOVBJCCNI-MRXNPFEDSA-N 2 0 330.476 1.812 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCOCC3)C2)CC1 ZINC000995079875 700694704 /nfs/dbraw/zinc/69/47/04/700694704.db2.gz PMGMUXHGRLMADR-FUHWJXTLSA-N 2 0 337.508 1.629 20 0 EDADRP Cn1nccc1CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC000940624647 700786385 /nfs/dbraw/zinc/78/63/85/700786385.db2.gz JCPKSYFKOJNVQT-IAGOWNOFSA-N 2 0 347.507 1.274 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccon3)C2)C1 ZINC000995099632 700884314 /nfs/dbraw/zinc/88/43/14/700884314.db2.gz ABDFTAOYCCABGG-CABCVRRESA-N 2 0 334.464 1.781 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)Cc3c[nH]cn3)C2)cn1 ZINC000995109227 700981155 /nfs/dbraw/zinc/98/11/55/700981155.db2.gz WQBNUWDKGZKTFP-ZFWWWQNUSA-N 2 0 328.420 1.125 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2CN(Cc3ocnc3C)C2)C1 ZINC001031919269 701042979 /nfs/dbraw/zinc/04/29/79/701042979.db2.gz QJAHURLESAGJGE-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](CCCO)CC1(C)C)[NH+]1CCCCCC1 ZINC000941074340 701101531 /nfs/dbraw/zinc/10/15/31/701101531.db2.gz BQSVSRQIONGABI-IAGOWNOFSA-N 2 0 339.524 1.850 20 0 EDADRP Cc1oncc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC000941166960 701377874 /nfs/dbraw/zinc/37/78/74/701377874.db2.gz NFNNEMDUMHDPHX-INIZCTEOSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@H](O)C[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC000999169845 706598876 /nfs/dbraw/zinc/59/88/76/706598876.db2.gz VARINXQFUAYPFI-OOHWJJMZSA-N 2 0 333.476 1.364 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[NH+](CCn3cccn3)CC2(C)C)C1 ZINC000941217391 701403569 /nfs/dbraw/zinc/40/35/69/701403569.db2.gz NPRUYWZPUWJREM-HOTGVXAUSA-N 2 0 333.480 1.052 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]Cc3ccon3)C2)CC1 ZINC000995131805 701415428 /nfs/dbraw/zinc/41/54/28/701415428.db2.gz GUBMJNREVFAVTI-HOTGVXAUSA-N 2 0 334.464 1.781 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)s1 ZINC000999170819 706600145 /nfs/dbraw/zinc/60/01/45/706600145.db2.gz SRNLBXLRBJKGIX-DOTOQJQBSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999170732 706600336 /nfs/dbraw/zinc/60/03/36/706600336.db2.gz RSINOLDAWMCOFH-OALUTQOASA-N 2 0 342.487 1.812 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1 ZINC000999171297 706601542 /nfs/dbraw/zinc/60/15/42/706601542.db2.gz VZURBNNYJPYRAY-QZTJIDSGSA-N 2 0 346.450 1.643 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](CCc3ccccc3F)C2)CC1 ZINC001031948383 701514373 /nfs/dbraw/zinc/51/43/73/701514373.db2.gz XJJADDAOYIHYNT-UHFFFAOYSA-N 2 0 333.451 1.758 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941431826 701538232 /nfs/dbraw/zinc/53/82/32/701538232.db2.gz UTMOMSRYLWTUHZ-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C2C[NH+](CC3CCCC3)C2)CC1 ZINC000941459472 701544043 /nfs/dbraw/zinc/54/40/43/701544043.db2.gz BWHZVDTZRTYIAY-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)sn1 ZINC000999174394 706605926 /nfs/dbraw/zinc/60/59/26/706605926.db2.gz OSKRFKHMSFXVJM-NVXWUHKLSA-N 2 0 348.516 1.874 20 0 EDADRP Cc1nc(CC[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cs1 ZINC001032130130 701834750 /nfs/dbraw/zinc/83/47/50/701834750.db2.gz GSTGWFGODJFJAW-UHFFFAOYSA-N 2 0 334.489 1.138 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC000999188909 706630520 /nfs/dbraw/zinc/63/05/20/706630520.db2.gz FQKLQDVOVFKCGR-HLLBOEOZSA-N 2 0 331.464 1.206 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999189413 706631257 /nfs/dbraw/zinc/63/12/57/706631257.db2.gz KPEBHJLPZREDKP-VNQPRFMTSA-N 2 0 334.464 1.658 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]Cc2cncn2C)C(C)(C)C1 ZINC000995802762 702046848 /nfs/dbraw/zinc/04/68/48/702046848.db2.gz OHLFZUIPBFHTPA-IRXDYDNUSA-N 2 0 347.507 1.620 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000995791893 702086473 /nfs/dbraw/zinc/08/64/73/702086473.db2.gz FAPDERNDGNALEW-IAGOWNOFSA-N 2 0 347.507 1.620 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C[C@@H]1[NH2+]Cc1cncs1 ZINC000995822288 702091628 /nfs/dbraw/zinc/09/16/28/702091628.db2.gz JZNMEXQAJZFDKO-CVEARBPZSA-N 2 0 348.516 1.812 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCC2C[NH+](CC[C@@H]3CCOC3)C2)c1 ZINC001032206491 702148999 /nfs/dbraw/zinc/14/89/99/702148999.db2.gz BYQLLVLCRLXMJU-MRXNPFEDSA-N 2 0 345.487 1.836 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001032206687 702155991 /nfs/dbraw/zinc/15/59/91/702155991.db2.gz HROJSVGEXCZKRI-INIZCTEOSA-N 2 0 345.487 1.836 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)CC1(C)C ZINC000995857647 702167533 /nfs/dbraw/zinc/16/75/33/702167533.db2.gz ZRIFXQUKSCXARE-TZMCWYRMSA-N 2 0 339.505 1.631 20 0 EDADRP CC(C)[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995899648 702205514 /nfs/dbraw/zinc/20/55/14/702205514.db2.gz XBBNSKWBLKDQGE-DLBZAZTESA-N 2 0 337.508 1.865 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]C[C@@H]3CCCCO3)C(C)(C)C2)CCC1 ZINC000995888861 702228433 /nfs/dbraw/zinc/22/84/33/702228433.db2.gz SDYZZNPYIWLXCI-HOTGVXAUSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1C[C@H]([NH2+]CC2CC2)C(C)(C)C1 ZINC000995958314 702324865 /nfs/dbraw/zinc/32/48/65/702324865.db2.gz DAWBBKRUJMIPLP-INIZCTEOSA-N 2 0 337.508 1.581 20 0 EDADRP CC1(C)CN(C(=O)c2ccn3c[nH+]cc3c2)C[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000996004555 702386376 /nfs/dbraw/zinc/38/63/76/702386376.db2.gz CULGOLGTYATMPW-RHSMWYFYSA-N 2 0 342.443 1.811 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H](C)C2)on1 ZINC000944155313 702448780 /nfs/dbraw/zinc/44/87/80/702448780.db2.gz MFZNIFYNFVVDCL-XJKSGUPXSA-N 2 0 332.448 1.405 20 0 EDADRP Cc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944156687 702452477 /nfs/dbraw/zinc/45/24/77/702452477.db2.gz VORHLBDKSAJLKG-CXAGYDPISA-N 2 0 346.475 1.714 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@@H]2CCCCO2)CC1 ZINC001032666026 706679672 /nfs/dbraw/zinc/67/96/72/706679672.db2.gz RZQFIZQYKIHSGI-BZSNNMDCSA-N 2 0 335.492 1.573 20 0 EDADRP Cc1oncc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996293186 702685743 /nfs/dbraw/zinc/68/57/43/702685743.db2.gz BPLGOSHQZUILSK-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCc3cnn(C)c3)C(C)(C)C2)C1 ZINC000996302685 702694773 /nfs/dbraw/zinc/69/47/73/702694773.db2.gz YSVQHJLAZCOQSE-RDJZCZTQSA-N 2 0 347.507 1.131 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996302756 702694810 /nfs/dbraw/zinc/69/48/10/702694810.db2.gz YWGLCCRCMPDQQJ-HZPDHXFCSA-N 2 0 347.507 1.714 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2c(C)noc2C)C(C)(C)C1)[NH+](C)C ZINC000996315969 702704164 /nfs/dbraw/zinc/70/41/64/702704164.db2.gz VOTWOTUPALGWKD-JKSUJKDBSA-N 2 0 336.480 1.958 20 0 EDADRP C[C@H]([NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C)c1cnccn1 ZINC000996355580 702733333 /nfs/dbraw/zinc/73/33/33/702733333.db2.gz NBDFICRROMDSHY-SWLSCSKDSA-N 2 0 328.420 1.330 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1 ZINC000996399845 702756674 /nfs/dbraw/zinc/75/66/74/702756674.db2.gz TUPIXIXLCDOQIJ-WMLDXEAASA-N 2 0 348.491 1.842 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)CC2)on1 ZINC000996462906 702790508 /nfs/dbraw/zinc/79/05/08/702790508.db2.gz CMMCINRIHINPPZ-QGZVFWFLSA-N 2 0 334.464 1.936 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000996463906 702791596 /nfs/dbraw/zinc/79/15/96/702791596.db2.gz JPHALJFACUHAMB-KRWDZBQOSA-N 2 0 333.480 1.374 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996503207 702825201 /nfs/dbraw/zinc/82/52/01/702825201.db2.gz YMPZABBJZUFQCW-SJLPKXTDSA-N 2 0 345.491 1.338 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996501573 702840623 /nfs/dbraw/zinc/84/06/23/702840623.db2.gz LIFSZCXOKZIBAQ-HIFRSBDPSA-N 2 0 349.504 1.493 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000996524407 702841070 /nfs/dbraw/zinc/84/10/70/702841070.db2.gz PSSMYOYFSXJJAD-CVEARBPZSA-N 2 0 337.508 1.602 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1C[C@@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1 ZINC000996526816 702843110 /nfs/dbraw/zinc/84/31/10/702843110.db2.gz UKLYMANLEOTFRY-WMLDXEAASA-N 2 0 346.475 1.624 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996520062 702855963 /nfs/dbraw/zinc/85/59/63/702855963.db2.gz MPUULASQJFHCJK-INIZCTEOSA-N 2 0 346.450 1.643 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1csnn1 ZINC000996562224 702876151 /nfs/dbraw/zinc/87/61/51/702876151.db2.gz WTLBWFBJGLWEBI-IUODEOHRSA-N 2 0 349.504 1.522 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1)c1csnn1 ZINC000996562752 702876678 /nfs/dbraw/zinc/87/66/78/702876678.db2.gz WTLBWFBJGLWEBI-SWLSCSKDSA-N 2 0 349.504 1.522 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996610852 702916087 /nfs/dbraw/zinc/91/60/87/702916087.db2.gz KXQNGYYXVYECMF-JKSUJKDBSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996612924 702918053 /nfs/dbraw/zinc/91/80/53/702918053.db2.gz SPHASZUADWEKBT-QGZVFWFLSA-N 2 0 330.476 1.812 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)cn1 ZINC000996614258 702919816 /nfs/dbraw/zinc/91/98/16/702919816.db2.gz MQQNTMZKGVOUNY-CVEARBPZSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)sn1 ZINC000996618541 702925094 /nfs/dbraw/zinc/92/50/94/702925094.db2.gz XPNZNMFHGXSLKC-DZGCQCFKSA-N 2 0 336.505 1.730 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996646991 702949100 /nfs/dbraw/zinc/94/91/00/702949100.db2.gz VXPSXYHBJVKECA-KRWDZBQOSA-N 2 0 333.480 1.338 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996667402 702964450 /nfs/dbraw/zinc/96/44/50/702964450.db2.gz BCBVRUNYFOUTRF-INIZCTEOSA-N 2 0 335.452 1.413 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCCCO2)CC1)C1CC1 ZINC000996678454 702977342 /nfs/dbraw/zinc/97/73/42/702977342.db2.gz NTWZSKKSDKUVQU-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996686941 702984319 /nfs/dbraw/zinc/98/43/19/702984319.db2.gz DLGMTZPLWFKAFE-AWEZNQCLSA-N 2 0 337.493 1.493 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996686565 702993242 /nfs/dbraw/zinc/99/32/42/702993242.db2.gz DCHRZAPHWWFGOU-KRWDZBQOSA-N 2 0 336.480 1.904 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@H]3CCc4cncn4C3)CC2)o1 ZINC000996760089 703048439 /nfs/dbraw/zinc/04/84/39/703048439.db2.gz SGKWAPVDDOWABJ-AWEZNQCLSA-N 2 0 343.431 1.523 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000996770831 703065807 /nfs/dbraw/zinc/06/58/07/703065807.db2.gz OUOBQQBBFRXPJL-UHFFFAOYSA-N 2 0 331.464 1.129 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1nncn1C ZINC000996770801 703065886 /nfs/dbraw/zinc/06/58/86/703065886.db2.gz ORIXKADXWWTUDV-CQSZACIVSA-N 2 0 346.479 1.085 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000996798419 703090913 /nfs/dbraw/zinc/09/09/13/703090913.db2.gz PJKRGPKTMZUDPZ-UHFFFAOYSA-N 2 0 338.415 1.425 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598147 703113326 /nfs/dbraw/zinc/11/33/26/703113326.db2.gz RZDAFPOZUUMQKM-CZUORRHYSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942598132 703113341 /nfs/dbraw/zinc/11/33/41/703113341.db2.gz RSUKPJPLXURPTA-SUMWQHHRSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC([NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000996922923 703193761 /nfs/dbraw/zinc/19/37/61/703193761.db2.gz PCUIPNPHAISHKK-HOCLYGCPSA-N 2 0 333.480 1.231 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC([NH2+]Cc2ccc(CO)cc2)CC1)[NH+](C)C ZINC000996963553 703232023 /nfs/dbraw/zinc/23/20/23/703232023.db2.gz DYRBLHSXRTYMQU-LJQANCHMSA-N 2 0 347.503 1.846 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2)n1 ZINC000996994708 703251505 /nfs/dbraw/zinc/25/15/05/703251505.db2.gz ISBYBNABDDNLEE-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)C1 ZINC000996996918 703260469 /nfs/dbraw/zinc/26/04/69/703260469.db2.gz BSIGXCICCPUBIF-JXFKEZNVSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC000997004482 703261534 /nfs/dbraw/zinc/26/15/34/703261534.db2.gz DIZBZAFHDIVNMB-GDBMZVCRSA-N 2 0 345.491 1.768 20 0 EDADRP CC(C)n1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997005210 703262377 /nfs/dbraw/zinc/26/23/77/703262377.db2.gz DFNXZLFOYGLHMG-GDBMZVCRSA-N 2 0 348.495 1.137 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000997007975 703265556 /nfs/dbraw/zinc/26/55/56/703265556.db2.gz SKVRGQQFQIHEAT-AWEZNQCLSA-N 2 0 331.464 1.207 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@H](CC)[NH+](C)C)CC2)C1 ZINC000997016417 703275123 /nfs/dbraw/zinc/27/51/23/703275123.db2.gz VCPKRTOLLOJUGG-PREGVCBESA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2nccn2C)CC1)[NH+]1CCCCCC1 ZINC000997074230 703316937 /nfs/dbraw/zinc/31/69/37/703316937.db2.gz UPGVJUHDYIDYPB-INIZCTEOSA-N 2 0 347.507 1.765 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)cn1 ZINC000997094036 703341680 /nfs/dbraw/zinc/34/16/80/703341680.db2.gz QVPXAGNDJHFDKY-QZTJIDSGSA-N 2 0 345.491 1.518 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)Cc3ncc[nH]3)CC2)c1 ZINC000997121672 703377015 /nfs/dbraw/zinc/37/70/15/703377015.db2.gz AEFQZJXNQCZXMO-UHFFFAOYSA-N 2 0 329.404 1.137 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCC2CCOCC2)CC[N@@H+]1C ZINC001032411816 703448974 /nfs/dbraw/zinc/44/89/74/703448974.db2.gz XDIGTKGLXKLMIP-XGXHKWSGSA-N 2 0 349.519 1.819 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)[nH]1 ZINC000997181174 703471095 /nfs/dbraw/zinc/47/10/95/703471095.db2.gz WITMOYWCOKTGEQ-HOCLYGCPSA-N 2 0 348.495 1.314 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000997190431 703472699 /nfs/dbraw/zinc/47/26/99/703472699.db2.gz YBVRRHOCBJYFBE-UHFFFAOYSA-N 2 0 332.448 1.468 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997220830 703498991 /nfs/dbraw/zinc/49/89/91/703498991.db2.gz FTLLNUKJTSSQTF-UHFFFAOYSA-N 2 0 333.461 1.540 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)[nH]1 ZINC000997306343 703565011 /nfs/dbraw/zinc/56/50/11/703565011.db2.gz DZJHIJQIPPFSSX-UHFFFAOYSA-N 2 0 334.468 1.105 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCC([NH2+]CC2CCCC2)CC1 ZINC000997312112 703568340 /nfs/dbraw/zinc/56/83/40/703568340.db2.gz BYYBADLCBJXSTB-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP CCn1ncnc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997358535 703589328 /nfs/dbraw/zinc/58/93/28/703589328.db2.gz BVEVIFVODGETBU-HUUCEWRRSA-N 2 0 348.495 1.251 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)o1 ZINC000997359192 703589871 /nfs/dbraw/zinc/58/98/71/703589871.db2.gz GNMZUYJPAZCDQG-OKILXGFUSA-N 2 0 334.464 1.936 20 0 EDADRP CCn1nncc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000997367569 703601744 /nfs/dbraw/zinc/60/17/44/703601744.db2.gz KOQUGDHIVITMBO-KRWDZBQOSA-N 2 0 348.495 1.253 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)CC[NH+]3CCCCC3)CC2)n1 ZINC000997368146 703604891 /nfs/dbraw/zinc/60/48/91/703604891.db2.gz QBADABYHIKVFAO-UHFFFAOYSA-N 2 0 347.507 1.860 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997390394 703657996 /nfs/dbraw/zinc/65/79/96/703657996.db2.gz OXIKEECMBLYTDB-MRXNPFEDSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](Cc2cncs2)CC1 ZINC000997396079 703660229 /nfs/dbraw/zinc/66/02/29/703660229.db2.gz PSGDZYCXQAINTD-CQSZACIVSA-N 2 0 348.516 1.956 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCO1 ZINC001032499632 703810658 /nfs/dbraw/zinc/81/06/58/703810658.db2.gz DLOOXGFJDYWSKC-OKZBNKHCSA-N 2 0 340.427 1.802 20 0 EDADRP C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CC[NH+](CCO)CC1 ZINC000997610713 703907065 /nfs/dbraw/zinc/90/70/65/703907065.db2.gz SPIXFEHEMBAXDC-ZDUSSCGKSA-N 2 0 339.505 1.632 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997611779 703911997 /nfs/dbraw/zinc/91/19/97/703911997.db2.gz HIGFFZDPXVXGBL-MAUKXSAKSA-N 2 0 345.491 1.768 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)c1 ZINC000995550593 703954138 /nfs/dbraw/zinc/95/41/38/703954138.db2.gz JXEMXIDTZWQARN-DLBZAZTESA-N 2 0 330.476 1.811 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)n1 ZINC000995552173 703958780 /nfs/dbraw/zinc/95/87/80/703958780.db2.gz PXUKJPAJWRKCQN-HZPDHXFCSA-N 2 0 346.475 1.511 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995552315 703959634 /nfs/dbraw/zinc/95/96/34/703959634.db2.gz QFCHBPKFKDLOEA-NVXWUHKLSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995555527 703975502 /nfs/dbraw/zinc/97/55/02/703975502.db2.gz ZUHVHQKMSOMWRJ-HOTGVXAUSA-N 2 0 333.480 1.149 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2CN3Cc2cncn2C)CC1 ZINC001032710706 706799485 /nfs/dbraw/zinc/79/94/85/706799485.db2.gz MVYUKBIBUSOCPD-IRXDYDNUSA-N 2 0 345.491 1.326 20 0 EDADRP CCO[C@@H](C[NH2+]C1CCN(CCC(F)(F)F)CC1)CN(C)C ZINC000922754742 704315035 /nfs/dbraw/zinc/31/50/35/704315035.db2.gz TUQOGCOGGSRILB-AWEZNQCLSA-N 2 0 325.419 1.960 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004426544 704411907 /nfs/dbraw/zinc/41/19/07/704411907.db2.gz BQPPHMIFTQLPAN-QZTJIDSGSA-N 2 0 337.508 1.555 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)[NH+](CC)CC ZINC000922867315 704444453 /nfs/dbraw/zinc/44/44/53/704444453.db2.gz JCHYQOTZTUWHRV-QGZVFWFLSA-N 2 0 325.497 1.866 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000997771467 704673121 /nfs/dbraw/zinc/67/31/21/704673121.db2.gz HTTIHFDTNROPGL-MSOLQXFVSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1nncn1C ZINC000997791898 704700332 /nfs/dbraw/zinc/70/03/32/704700332.db2.gz BDGYWHCVDLOYAE-SQWLQELKSA-N 2 0 348.495 1.045 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000997793540 704706322 /nfs/dbraw/zinc/70/63/22/704706322.db2.gz QLMYMVVJGNLPSO-RDTXWAMCSA-N 2 0 345.491 1.453 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)co1 ZINC000997822974 704742756 /nfs/dbraw/zinc/74/27/56/704742756.db2.gz IIZGMLBXMYWANC-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)co1 ZINC000997830227 704748712 /nfs/dbraw/zinc/74/87/12/704748712.db2.gz FITLGBQOEWQEOZ-KRWDZBQOSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000997831040 704751451 /nfs/dbraw/zinc/75/14/51/704751451.db2.gz PBWFIVAUVKZDBS-MLGOLLRUSA-N 2 0 348.495 1.343 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000997841067 704757513 /nfs/dbraw/zinc/75/75/13/704757513.db2.gz UFHDBPBZSWYBMJ-SFHVURJKSA-N 2 0 347.507 1.699 20 0 EDADRP O=C(N1CCC(C[NH2+]C[C@@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000997858450 704767975 /nfs/dbraw/zinc/76/79/75/704767975.db2.gz FKFKGKAIOPLQMW-SFHVURJKSA-N 2 0 349.519 1.727 20 0 EDADRP CCn1cc(CC[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)cn1 ZINC000944919654 704771687 /nfs/dbraw/zinc/77/16/87/704771687.db2.gz PKLLSPUHNYZKBH-FUHWJXTLSA-N 2 0 347.507 1.368 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC000997865236 704772458 /nfs/dbraw/zinc/77/24/58/704772458.db2.gz MOPWVIRMZXUGDX-KRWDZBQOSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997865570 704772729 /nfs/dbraw/zinc/77/27/29/704772729.db2.gz FWWKBDHLUIDADU-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1oncc1C[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000997866630 704773423 /nfs/dbraw/zinc/77/34/23/704773423.db2.gz MGSIXUZSFKVARP-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944943686 704796160 /nfs/dbraw/zinc/79/61/60/704796160.db2.gz JLHSUJGRUFMNKE-PBHICJAKSA-N 2 0 333.480 1.151 20 0 EDADRP COc1ncccc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943990 704796732 /nfs/dbraw/zinc/79/67/32/704796732.db2.gz KXUJKKAEBMLWPR-DOTOQJQBSA-N 2 0 346.475 1.513 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998018471 705202138 /nfs/dbraw/zinc/20/21/38/705202138.db2.gz VJAQLWKMZJNZQA-HZPDHXFCSA-N 2 0 338.496 1.048 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998084075 705313634 /nfs/dbraw/zinc/31/36/34/705313634.db2.gz YZJLZNQMURNKNF-MAUKXSAKSA-N 2 0 330.476 1.608 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C[NH2+]CC2CCOCC2)CC1)[NH+](C)C ZINC000998085425 705317101 /nfs/dbraw/zinc/31/71/01/705317101.db2.gz FYTJAXGAXNJXLY-KRWDZBQOSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)C1 ZINC000998216337 705537982 /nfs/dbraw/zinc/53/79/82/705537982.db2.gz HAQXTTKVYCABAO-NVXWUHKLSA-N 2 0 349.479 1.518 20 0 EDADRP CO[C@H](C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+](C)C)C1CCC1 ZINC001032610982 705581127 /nfs/dbraw/zinc/58/11/27/705581127.db2.gz BILKGPVMGXAQLJ-WNRNVDISSA-N 2 0 337.508 1.673 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000998245272 705588686 /nfs/dbraw/zinc/58/86/86/705588686.db2.gz QYTHMXGKIDJRCL-UHFFFAOYSA-N 2 0 330.436 1.023 20 0 EDADRP Cc1nnsc1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000998267375 705642270 /nfs/dbraw/zinc/64/22/70/705642270.db2.gz XCENHQZTUFXHBH-AWEZNQCLSA-N 2 0 337.493 1.126 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000998270642 705649260 /nfs/dbraw/zinc/64/92/60/705649260.db2.gz WYXUXBTXCRJJCB-MRXNPFEDSA-N 2 0 345.491 1.770 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncccn2)CC1 ZINC000998284363 705678978 /nfs/dbraw/zinc/67/89/78/705678978.db2.gz BHINZMDQKUHSJH-QGZVFWFLSA-N 2 0 345.491 1.679 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CC(F)(F)C1 ZINC001032627522 705730878 /nfs/dbraw/zinc/73/08/78/705730878.db2.gz ZJVQSGHTTKOZNH-QEJZJMRPSA-N 2 0 327.419 1.801 20 0 EDADRP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1)[NH+](C)C ZINC001032634694 705910562 /nfs/dbraw/zinc/91/05/62/705910562.db2.gz RHKCIIMBDLLKKM-BZSNNMDCSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998548356 705984097 /nfs/dbraw/zinc/98/40/97/705984097.db2.gz GZXKFGDPOCTUNY-ABHNRTSZSA-N 2 0 331.460 1.352 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998718991 706150694 /nfs/dbraw/zinc/15/06/94/706150694.db2.gz DPSAWHCLEFSNKY-HZPDHXFCSA-N 2 0 332.448 1.265 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000998780553 706221339 /nfs/dbraw/zinc/22/13/39/706221339.db2.gz PDCHFWQZMLTHKM-VMWRSERWSA-N 2 0 343.475 1.206 20 0 EDADRP CC(C)n1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1 ZINC000998797448 706244553 /nfs/dbraw/zinc/24/45/53/706244553.db2.gz VJDBQFIPQHXSGF-RKHAHWSXSA-N 2 0 348.495 1.278 20 0 EDADRP CCn1c(C)nnc1CN[C@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC000999036218 706451096 /nfs/dbraw/zinc/45/10/96/706451096.db2.gz UBNPUEMDVZJKAY-AWEZNQCLSA-N 2 0 345.451 1.043 20 0 EDADRP C[C@@H]([NH2+]C1CC(N(C)C(=O)C23CCC[NH+]2CCC3)C1)c1nncn1C ZINC000999051717 706472412 /nfs/dbraw/zinc/47/24/12/706472412.db2.gz RMCNHCAUQBABTB-WLYUNCDWSA-N 2 0 346.479 1.084 20 0 EDADRP Cc1oncc1C[NH+]1C[C@@H]2CCN(C(=O)[C@H]3CCC[N@H+]3C)CC[C@@H]2C1 ZINC000946517186 706520457 /nfs/dbraw/zinc/52/04/57/706520457.db2.gz AZGLRVZWWLWSLU-SOLBZPMBSA-N 2 0 346.475 1.748 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2cnsn2)C1 ZINC000999145040 706558602 /nfs/dbraw/zinc/55/86/02/706558602.db2.gz OWCUJHLJWUVEEW-DZGCQCFKSA-N 2 0 337.493 1.492 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC000999145963 706559611 /nfs/dbraw/zinc/55/96/11/706559611.db2.gz TZOINRJFVXTOQL-SJLPKXTDSA-N 2 0 347.507 1.682 20 0 EDADRP CC[C@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1)C(N)=O ZINC000999152110 706580549 /nfs/dbraw/zinc/58/05/49/706580549.db2.gz IKFXXHLWMPOLRS-CABCVRRESA-N 2 0 338.496 1.095 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000999354559 706843554 /nfs/dbraw/zinc/84/35/54/706843554.db2.gz QJBHZKFWIVEOBR-SJORKVTESA-N 2 0 348.495 1.122 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC[C@@H]([NH2+]C[C@H]3CC(C)(C)CO3)C2)CCC1 ZINC000999355191 706844368 /nfs/dbraw/zinc/84/43/68/706844368.db2.gz SVFPXQYQKRKBHT-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cncn3C)C2)C1 ZINC000999349204 706861346 /nfs/dbraw/zinc/86/13/46/706861346.db2.gz ROJPLQVCYIQRMC-SJORKVTESA-N 2 0 347.507 1.479 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)cn1 ZINC000999371018 706885151 /nfs/dbraw/zinc/88/51/51/706885151.db2.gz MPROKYNZFWAMON-AEFFLSMTSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]CCc2ccnn2C)C1 ZINC000999398873 706893315 /nfs/dbraw/zinc/89/33/15/706893315.db2.gz ASZMNZMTXGZBPH-UQPPLGOBSA-N 2 0 333.480 1.026 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999510675 707009128 /nfs/dbraw/zinc/00/91/28/707009128.db2.gz XZXUKODUVZUYKL-UHFFFAOYSA-N 2 0 333.480 1.231 20 0 EDADRP CCn1nncc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000999596956 707099988 /nfs/dbraw/zinc/09/99/88/707099988.db2.gz BYFHJGGNTTUMPM-UHFFFAOYSA-N 2 0 348.495 1.109 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]C[C@H]2CCCOC2)C1 ZINC000999623082 707144925 /nfs/dbraw/zinc/14/49/25/707144925.db2.gz VGDRLMCFZVEAGO-NVXWUHKLSA-N 2 0 342.443 1.955 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]C[C@@H]2CC(C)(C)CO2)C1 ZINC000999699196 707227512 /nfs/dbraw/zinc/22/75/12/707227512.db2.gz VRVJZWMYOZCJGF-GPANFISMSA-N 2 0 335.492 1.476 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC[C@@H]2C1 ZINC000946779037 707235858 /nfs/dbraw/zinc/23/58/58/707235858.db2.gz DPBSOEDSFHSIRD-XLAORIBOSA-N 2 0 337.508 1.534 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000999778263 707339109 /nfs/dbraw/zinc/33/91/09/707339109.db2.gz WQYAUIRKOLSCSV-MRXNPFEDSA-N 2 0 344.463 1.175 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)n1C1CC1 ZINC000999832209 707462298 /nfs/dbraw/zinc/46/22/98/707462298.db2.gz AHJKXMCLIDBJLL-UHFFFAOYSA-N 2 0 346.479 1.096 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCCC3)C2)c1 ZINC000999834136 707466879 /nfs/dbraw/zinc/46/68/79/707466879.db2.gz SKXFVFQYSQAHLV-UHFFFAOYSA-N 2 0 331.460 1.870 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cncn2C)C1 ZINC000999876844 707524996 /nfs/dbraw/zinc/52/49/96/707524996.db2.gz UMBKPJKFMJFNMD-DQPZFDDXSA-N 2 0 333.480 1.374 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999876984 707525127 /nfs/dbraw/zinc/52/51/27/707525127.db2.gz RALMTPZFFYCAPJ-HOTGVXAUSA-N 2 0 345.491 1.993 20 0 EDADRP O=C([C@@H]1CCC[C@@H]2CCC[NH+]21)N1CC[C@H]2C[N@H+](CCO)C[C@H]2CC1 ZINC000946819172 707584961 /nfs/dbraw/zinc/58/49/61/707584961.db2.gz VPXSXENEOXYKHM-XDNAFOTISA-N 2 0 335.492 1.166 20 0 EDADRP COCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365154 707659521 /nfs/dbraw/zinc/65/95/21/707659521.db2.gz LWDGZTMALFEBPB-QZTJIDSGSA-N 2 0 337.508 1.963 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](n2cc(CNC(=O)[C@@H]3CCCC[NH+]3C)nn2)C1 ZINC000999995577 707674259 /nfs/dbraw/zinc/67/42/59/707674259.db2.gz GZHRCVNDSVLLMT-CVEARBPZSA-N 2 0 334.468 1.034 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1cn([C@H]2CC[NH+](CC3CC3)C2)nn1 ZINC000999999105 707682581 /nfs/dbraw/zinc/68/25/81/707682581.db2.gz WTTYZGSHZHMNQW-IRXDYDNUSA-N 2 0 346.479 1.035 20 0 EDADRP Cc1ncsc1CC[NH+]1C[C@@H]2C[C@H]1CN2C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC001032731670 707733615 /nfs/dbraw/zinc/73/36/15/707733615.db2.gz NYOSTFWNWDKGSX-JYJNAYRXSA-N 2 0 348.516 1.621 20 0 EDADRP C[C@H]([NH2+]Cc1cnn(C)c1)[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC001004977412 707812837 /nfs/dbraw/zinc/81/28/37/707812837.db2.gz QQCFWIPJXNGZRH-WMLDXEAASA-N 2 0 344.463 1.256 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@@H+]3CCC[C@H]3C)C2)n1 ZINC001000185151 707823894 /nfs/dbraw/zinc/82/38/94/707823894.db2.gz PLQWTWVSCMWYLY-WBVHZDCISA-N 2 0 346.475 1.655 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CC[C@H](N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001033420036 707829804 /nfs/dbraw/zinc/82/98/04/707829804.db2.gz LSPLTMWKTWILMF-QAPCUYQASA-N 2 0 347.507 1.374 20 0 EDADRP Cc1csc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC001000193799 707830226 /nfs/dbraw/zinc/83/02/26/707830226.db2.gz SEEQRBGTPYXZTJ-HIFRSBDPSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H]([NH2+]Cc1ccnn1C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004992288 707873243 /nfs/dbraw/zinc/87/32/43/707873243.db2.gz NTFQXCJZGHXDIP-RDJZCZTQSA-N 2 0 333.480 1.375 20 0 EDADRP COC(=O)[C@H](C)Oc1ccccc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000921768814 708007680 /nfs/dbraw/zinc/00/76/80/708007680.db2.gz CBSHOJKHHJINEX-AWEZNQCLSA-N 2 0 336.432 1.173 20 0 EDADRP Cc1nn(C)cc1C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001000520346 708039336 /nfs/dbraw/zinc/03/93/36/708039336.db2.gz DCFIDQKJNOHJGQ-KRWDZBQOSA-N 2 0 331.464 1.071 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCCO1 ZINC001032802326 708086175 /nfs/dbraw/zinc/08/61/75/708086175.db2.gz UYEPCJVAVJWVHX-BZSNNMDCSA-N 2 0 335.492 1.717 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC001001475331 708156786 /nfs/dbraw/zinc/15/67/86/708156786.db2.gz ADYQISLIHHKEIS-LJQANCHMSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1ncsc1C[N@H+]1CC[C@@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583332 708267372 /nfs/dbraw/zinc/26/73/72/708267372.db2.gz SYZNPZUGBHMBCQ-HUUCEWRRSA-N 2 0 336.505 1.826 20 0 EDADRP CC[C@H](C)C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC001001757559 708281272 /nfs/dbraw/zinc/28/12/72/708281272.db2.gz VLFBQAWVISHMJJ-WMZOPIPTSA-N 2 0 339.524 1.970 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)C1 ZINC001033596377 708301435 /nfs/dbraw/zinc/30/14/35/708301435.db2.gz ZFWCQYRQGYFAIB-CGZBRXJRSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)C[C@@H]3CC[NH+](C)C3)C2)n1 ZINC001033583649 708308053 /nfs/dbraw/zinc/30/80/53/708308053.db2.gz XGIJXQPWGRITJS-ROUUACIJSA-N 2 0 347.507 1.374 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(CNC(=O)C3CC[NH+](C)CC3)CC2)O1 ZINC001001794121 708308825 /nfs/dbraw/zinc/30/88/25/708308825.db2.gz BFSHCQUOLWPRKU-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001001795423 708310102 /nfs/dbraw/zinc/31/01/02/708310102.db2.gz QXDFWMMQPDDCEU-UYAOXDASSA-N 2 0 349.519 1.583 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c1 ZINC001033658707 708469902 /nfs/dbraw/zinc/46/99/02/708469902.db2.gz BIQSGQWPDIRTSC-SJORKVTESA-N 2 0 331.460 1.680 20 0 EDADRP CO[C@@H](C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1)C1CCC1 ZINC001002042256 708563479 /nfs/dbraw/zinc/56/34/79/708563479.db2.gz DEGRPLCQULUTFZ-SFHVURJKSA-N 2 0 349.519 1.726 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CCN(Cc2cnoc2C)C1 ZINC001033830239 708851555 /nfs/dbraw/zinc/85/15/55/708851555.db2.gz GFPCPNCMSLXDCQ-ROUUACIJSA-N 2 0 346.475 1.748 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@H]3CCCCO3)CC2)CC[N@@H+]1C ZINC001005408290 708915833 /nfs/dbraw/zinc/91/58/33/708915833.db2.gz WNKDMBVTUFTIIJ-KBAYOESNSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH+](CCC2CC2)CC1 ZINC001005423895 708941709 /nfs/dbraw/zinc/94/17/09/708941709.db2.gz GOZTUYFMTICTPY-QZTJIDSGSA-N 2 0 335.492 1.573 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](N(CC)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033983424 709192331 /nfs/dbraw/zinc/19/23/31/709192331.db2.gz QCSBXISZDAGVKZ-QGZVFWFLSA-N 2 0 335.496 1.781 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005493480 709215750 /nfs/dbraw/zinc/21/57/50/709215750.db2.gz RZPOZQOMWUOQRR-IAGOWNOFSA-N 2 0 339.524 1.922 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001034037726 709270139 /nfs/dbraw/zinc/27/01/39/709270139.db2.gz DWYPMUIRLXGSPB-ROUUACIJSA-N 2 0 347.507 1.320 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]3C[N@@H+](CCO)C[C@H]3CC2)cc1 ZINC000946824416 709344151 /nfs/dbraw/zinc/34/41/51/709344151.db2.gz MAQZEKSJSBNBAE-KDURUIRLSA-N 2 0 345.487 1.525 20 0 EDADRP Cc1nonc1CN1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002793640 709401596 /nfs/dbraw/zinc/40/15/96/709401596.db2.gz YJMWSWKJQUAGFS-MRXNPFEDSA-N 2 0 335.452 1.331 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCN(C[C@H]2COc3ccccc3O2)C1 ZINC001032828525 709452696 /nfs/dbraw/zinc/45/26/96/709452696.db2.gz FKONBQRODBFKDG-HRCADAONSA-N 2 0 345.443 1.111 20 0 EDADRP O=C(NC1CC[NH+](CC2=CCCCC2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001002875755 709482999 /nfs/dbraw/zinc/48/29/99/709482999.db2.gz QOIVQTGVNPXEOD-RTBURBONSA-N 2 0 347.503 1.931 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@H](NC(=O)[C@H]3CCCC[NH+]3C)C2)cn1 ZINC001034271481 709678197 /nfs/dbraw/zinc/67/81/97/709678197.db2.gz NNHNMEVOFAPNCQ-ZWKOTPCHSA-N 2 0 347.507 1.418 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](C[C@@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC001034291220 709716690 /nfs/dbraw/zinc/71/66/90/709716690.db2.gz RNBLHMGHMJJENG-IRXDYDNUSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O)C1CC[NH+](C)CC1 ZINC000702807749 709855096 /nfs/dbraw/zinc/85/50/96/709855096.db2.gz DLXUCLJPYXKPTF-CWRNSKLLSA-N 2 0 341.496 1.534 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CCCC[NH+](CCOC)C2)C1 ZINC001034369768 709855838 /nfs/dbraw/zinc/85/58/38/709855838.db2.gz UZKXCUHCRVUFEI-SJORKVTESA-N 2 0 325.497 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3cccnc3)C2)C1 ZINC001034491100 710110852 /nfs/dbraw/zinc/11/08/52/710110852.db2.gz QKYYGWODKGLKMQ-FUHWJXTLSA-N 2 0 330.476 1.894 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001003229293 710150181 /nfs/dbraw/zinc/15/01/81/710150181.db2.gz FJGCKBNUMQWFGK-DOTOQJQBSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@H]1CC[C@@H](C[NH+]2CCC(NC(=O)C34CCC[NH+]3CCC4)CC2)O1 ZINC001003242741 710165383 /nfs/dbraw/zinc/16/53/83/710165383.db2.gz HEBIDZSFFHLTRB-RDJZCZTQSA-N 2 0 335.492 1.763 20 0 EDADRP CCn1cc(CC[N@@H+]2CCCC[C@@H](NC(=O)C[NH+]3CCCC3)C2)cn1 ZINC001034528748 710183229 /nfs/dbraw/zinc/18/32/29/710183229.db2.gz QEBIQNUIROAQHP-GOSISDBHSA-N 2 0 347.507 1.512 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCCC[N@H+](CCCO)C2)c1 ZINC001034536504 710208511 /nfs/dbraw/zinc/20/85/11/710208511.db2.gz GEMKQEOIWWFNEC-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001034611586 710286130 /nfs/dbraw/zinc/28/61/30/710286130.db2.gz LZKPKCKUJKTZJH-BZUAXINKSA-N 2 0 333.480 1.514 20 0 EDADRP CCOC1CC(C[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC001003546853 710413627 /nfs/dbraw/zinc/41/36/27/710413627.db2.gz COUMPAHYSBXBAA-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC001003546873 710413639 /nfs/dbraw/zinc/41/36/39/710413639.db2.gz DOXJNCKPGKMBKA-UHFFFAOYSA-N 2 0 347.507 1.368 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC001003628667 710458706 /nfs/dbraw/zinc/45/87/06/710458706.db2.gz SNWIOTMJFUJEQE-KDOFPFPSSA-N 2 0 343.487 1.814 20 0 EDADRP COc1ccc(C[NH+]2CCC(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cc1 ZINC001003632686 710461393 /nfs/dbraw/zinc/46/13/93/710461393.db2.gz BRDGZLNXJUFFAV-DNVCBOLYSA-N 2 0 345.487 1.974 20 0 EDADRP C[NH+]1CCC(CC(=O)NC2CC[NH+](C[C@H]3CCCCO3)CC2)CC1 ZINC001003740175 710520384 /nfs/dbraw/zinc/52/03/84/710520384.db2.gz HVPRGFHBXDOVHV-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000922264898 710550486 /nfs/dbraw/zinc/55/04/86/710550486.db2.gz YAIYWUZYYXDSOX-KRWDZBQOSA-N 2 0 330.476 1.902 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)C12CCC[NH+]1CCC2 ZINC001034683027 710691995 /nfs/dbraw/zinc/69/19/95/710691995.db2.gz YGMMTBSLMPIGLZ-BRWVUGGUSA-N 2 0 335.492 1.668 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)c2)CC1 ZINC001034736582 710924001 /nfs/dbraw/zinc/92/40/01/710924001.db2.gz XFCQBYUWNKPFIF-XIRDDKMYSA-N 2 0 333.480 1.421 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](NCc3cnsn3)CC2)C1 ZINC001034775476 711048769 /nfs/dbraw/zinc/04/87/69/711048769.db2.gz ANDNULNUYYEVEN-MGPQQGTHSA-N 2 0 337.493 1.397 20 0 EDADRP CCOC1CC(C[NH2+][C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001034778274 711079375 /nfs/dbraw/zinc/07/93/75/711079375.db2.gz QLBIXNDURKWPPT-GFHJVICUSA-N 2 0 349.519 1.914 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CC[NH+](CC3CC(F)(F)C3)CC2)C1 ZINC001003973800 711130486 /nfs/dbraw/zinc/13/04/86/711130486.db2.gz GMKSSDRUCJITCL-CYBMUJFWSA-N 2 0 329.435 1.954 20 0 EDADRP Cn1c(Cl)cnc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001034885223 711289447 /nfs/dbraw/zinc/28/94/47/711289447.db2.gz RAUBOKWOZAZBEE-CHWSQXEVSA-N 2 0 339.871 1.248 20 0 EDADRP CN(C(=O)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC001005743165 711367737 /nfs/dbraw/zinc/36/77/37/711367737.db2.gz XPMPSAXEHXEXIR-RMXPPQQLSA-N 2 0 333.476 1.182 20 0 EDADRP Cc1cnc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H](C2CC2)[NH+](C)C)s1 ZINC001034959872 711435905 /nfs/dbraw/zinc/43/59/05/711435905.db2.gz HGASJEQRIIOICQ-GDBMZVCRSA-N 2 0 336.505 1.872 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2cncn2C)CC[N@@H+]1C ZINC001034941752 711446638 /nfs/dbraw/zinc/44/66/38/711446638.db2.gz WIKHZWQMRAPTMW-HYVNUMGLSA-N 2 0 333.480 1.231 20 0 EDADRP CCc1ncc(C[NH2+][C@@H]2C[C@@]3(C[N@@H+](CC)[C@@H]3C(C)C)C[C@H]2O)cn1 ZINC000922395018 711461199 /nfs/dbraw/zinc/46/11/99/711461199.db2.gz PWZNKLDEYUALOF-RWQQGDIJSA-N 2 0 332.492 1.998 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)Cc3ccccc3)CC2)C1 ZINC001004143755 711544196 /nfs/dbraw/zinc/54/41/96/711544196.db2.gz ORXIGJZYWPMJLV-MJGOQNOKSA-N 2 0 345.487 1.122 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H](O)c3ccccc3F)CC2)C1 ZINC001004149510 711563577 /nfs/dbraw/zinc/56/35/77/711563577.db2.gz KGCKQVUDJDAYLZ-RDTXWAMCSA-N 2 0 349.450 1.391 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CC[NH+](CCOc3ccccc3)CC2)C1 ZINC001004150010 711564716 /nfs/dbraw/zinc/56/47/16/711564716.db2.gz QOBIWIWPLNCMSY-INIZCTEOSA-N 2 0 331.460 1.598 20 0 EDADRP Cc1ccc(OCC[NH+]2CCC(NC(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cc1 ZINC001004151366 711569115 /nfs/dbraw/zinc/56/91/15/711569115.db2.gz XSPZGKMPEHOUNF-QGZVFWFLSA-N 2 0 345.487 1.906 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CCN(Cc2cn(C)nc2C)C1 ZINC001033126187 711889033 /nfs/dbraw/zinc/88/90/33/711889033.db2.gz LARUNQPQFCTKGB-QZTJIDSGSA-N 2 0 347.507 1.636 20 0 EDADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C1=CC[NH+](C)CC1 ZINC000333294486 299105888 /nfs/dbraw/zinc/10/58/88/299105888.db2.gz RYJYDRIGJLBPPY-GJZGRUSLSA-N 2 0 338.496 1.123 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@@H+]1C[C@H](C)O ZINC000345343890 539829095 /nfs/dbraw/zinc/82/90/95/539829095.db2.gz NCKNDZAZCXKVHE-OWCLPIDISA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C[C@@H](C)O1 ZINC000355356676 539954833 /nfs/dbraw/zinc/95/48/33/539954833.db2.gz YZRUOXZNVXWMMW-ZAWLATJESA-N 2 0 339.524 1.120 20 0 EDADRP CSC1(CNC(=O)NCc2ccc(C[NH3+])cc2)CC[NH+](C)CC1 ZINC000563090277 306318451 /nfs/dbraw/zinc/31/84/51/306318451.db2.gz FPBULLUYJUOQJY-UHFFFAOYSA-N 2 0 336.505 1.772 20 0 EDADRP C[NH+](C)CCOCC[NH2+][C@H]1CCN(C(=O)OCc2ccccc2)C1 ZINC000401901135 303860347 /nfs/dbraw/zinc/86/03/47/303860347.db2.gz OMZQFPANWGPNHA-KRWDZBQOSA-N 2 0 335.448 1.565 20 0 EDADRP Cc1csc2nc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc(=O)n12 ZINC000563154004 306320569 /nfs/dbraw/zinc/32/05/69/306320569.db2.gz MDADSFLBHCKAGV-ZBFHGGJFSA-N 2 0 348.472 1.393 20 0 EDADRP Cc1n[nH]cc1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000180413287 540120764 /nfs/dbraw/zinc/12/07/64/540120764.db2.gz NXKMMEFAERXINT-CYBMUJFWSA-N 2 0 329.448 1.860 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(C[NH2+][C@H]2CCCOC2)cc1 ZINC000180976616 540122742 /nfs/dbraw/zinc/12/27/42/540122742.db2.gz SIMHPBKBLVJMBT-SFHVURJKSA-N 2 0 331.460 1.781 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@@H]2C1 ZINC000418686942 283148635 /nfs/dbraw/zinc/14/86/35/283148635.db2.gz QDVZYSNAKRMMMI-WNRNVDISSA-N 2 0 328.460 1.478 20 0 EDADRP COc1ccc(OC)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1 ZINC000006169213 138094759 /nfs/dbraw/zinc/09/47/59/138094759.db2.gz WOVUTHSWEMXLHF-UHFFFAOYSA-N 2 0 349.475 1.594 20 0 EDADRP Cn1ncc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c1-c1ccccc1 ZINC000563497847 306335691 /nfs/dbraw/zinc/33/56/91/306335691.db2.gz KNMOHYBLKOCMLC-CQSZACIVSA-N 2 0 328.420 1.194 20 0 EDADRP CC[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000066988168 138183338 /nfs/dbraw/zinc/18/33/38/138183338.db2.gz JONFBSVTEHXHBS-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP [NH3+]C1(C(=O)Nc2ccccc2OCCN2CC[NH2+]CC2)CCCCC1 ZINC000563528876 306337304 /nfs/dbraw/zinc/33/73/04/306337304.db2.gz LQVNFHHJWNTDKH-UHFFFAOYSA-N 2 0 346.475 1.571 20 0 EDADRP C[N@H+](C[C@@H](O)CNCCOc1ccc(Br)cc1)C1CC1 ZINC000563528704 306337396 /nfs/dbraw/zinc/33/73/96/306337396.db2.gz BKJFAWVUIBORCM-AWEZNQCLSA-N 2 0 343.265 1.873 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC000074198419 138227694 /nfs/dbraw/zinc/22/76/94/138227694.db2.gz RRCWDNFGPDNPBV-UHFFFAOYSA-N 2 0 344.503 1.995 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000343020551 283210416 /nfs/dbraw/zinc/21/04/16/283210416.db2.gz QUFNQHRSVLKFFL-JKSUJKDBSA-N 2 0 340.512 1.214 20 0 EDADRP Cc1cc(CNC(=O)NCC2=CC[NH2+]CC2)cc(N2CCCC2)n1 ZINC000563591461 306340524 /nfs/dbraw/zinc/34/05/24/306340524.db2.gz NBMANVGRPHLPNH-UHFFFAOYSA-N 2 0 329.448 1.709 20 0 EDADRP C[C@@H](c1cccc(F)c1)N1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000124932277 138330812 /nfs/dbraw/zinc/33/08/12/138330812.db2.gz OODADBVCABFQTD-WMLDXEAASA-N 2 0 335.423 1.362 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000123788261 138321231 /nfs/dbraw/zinc/32/12/31/138321231.db2.gz SFAJTWSTJPIPPF-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CC1 ZINC000132463721 138377292 /nfs/dbraw/zinc/37/72/92/138377292.db2.gz NBVHIKASXLDEPC-GOSISDBHSA-N 2 0 331.460 1.345 20 0 EDADRP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](CC)CC2)C1(C)C ZINC000133159171 138389464 /nfs/dbraw/zinc/38/94/64/138389464.db2.gz YYVZAMYXDJIAJG-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000342779686 283246318 /nfs/dbraw/zinc/24/63/18/283246318.db2.gz FFNOGSGRIBNAII-KRWDZBQOSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc2c(c1)CCC(=O)N2C)N1CC[NH+](C)CC1 ZINC000187209963 236146990 /nfs/dbraw/zinc/14/69/90/236146990.db2.gz AKRBFVQKNCFPGD-OAHLLOKOSA-N 2 0 330.476 1.321 20 0 EDADRP O[C@H](CN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C[NH+]1CCCC1 ZINC000564074261 306354840 /nfs/dbraw/zinc/35/48/40/306354840.db2.gz NTBYOCKDXPGEGK-SUMDDJOVSA-N 2 0 331.460 1.289 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC000564224463 306357743 /nfs/dbraw/zinc/35/77/43/306357743.db2.gz VKTOQMSIBLSUKB-HOTGVXAUSA-N 2 0 335.496 1.543 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH+](CC)C2)C[C@H]1CC ZINC000413829862 304079139 /nfs/dbraw/zinc/07/91/39/304079139.db2.gz FMJQCSJGDVVIAY-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP Cc1ncc2n1C[C@H](C(=O)NCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)CC2 ZINC000565074246 306374765 /nfs/dbraw/zinc/37/47/65/306374765.db2.gz QQPUXHBKXTYCKG-HLLBOEOZSA-N 2 0 348.491 1.760 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000565163149 306377006 /nfs/dbraw/zinc/37/70/06/306377006.db2.gz JQWCKBJBIZCOGF-MOPGFXCFSA-N 2 0 341.540 1.369 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cn1 ZINC000359876931 201113829 /nfs/dbraw/zinc/11/38/29/201113829.db2.gz PJOYUTXWNPKIIF-UHFFFAOYSA-N 2 0 333.480 1.477 20 0 EDADRP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000414356564 304111106 /nfs/dbraw/zinc/11/11/06/304111106.db2.gz FFGYWXYDMOVAKD-UHFFFAOYSA-N 2 0 332.423 1.866 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1)C1=CC[NH+](C)CC1 ZINC000333294487 296065386 /nfs/dbraw/zinc/06/53/86/296065386.db2.gz RYJYDRIGJLBPPY-HUUCEWRRSA-N 2 0 338.496 1.123 20 0 EDADRP C[C@H](O)[C@H]1CN(Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000414578560 304123083 /nfs/dbraw/zinc/12/30/83/304123083.db2.gz IERPALMJHRIBBU-OXJNMPFZSA-N 2 0 347.503 1.799 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000414709130 304130982 /nfs/dbraw/zinc/13/09/82/304130982.db2.gz RAQLMZDMQVIWOE-CQSZACIVSA-N 2 0 332.448 1.335 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[NH+](C3CCCC3)CC2)cc1 ZINC000414722252 304133145 /nfs/dbraw/zinc/13/31/45/304133145.db2.gz LMKOCNBWDGEEGF-UHFFFAOYSA-N 2 0 344.459 1.431 20 0 EDADRP [NH3+]CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Br)cn2)C1 ZINC000414741743 304135772 /nfs/dbraw/zinc/13/57/72/304135772.db2.gz HRZXBDOGZXYKJN-NSHDSACASA-N 2 0 341.253 1.843 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]C[C@H]([NH3+])C(C)C)CC2)cc1 ZINC000414788166 304140712 /nfs/dbraw/zinc/14/07/12/304140712.db2.gz CYCXFHIHTKVLAJ-KRWDZBQOSA-N 2 0 339.505 1.721 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+](C)C)C2)c1 ZINC000414828333 304145512 /nfs/dbraw/zinc/14/55/12/304145512.db2.gz IQNVFRPFMHDDOK-HNNXBMFYSA-N 2 0 332.448 1.145 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000414997264 304149092 /nfs/dbraw/zinc/14/90/92/304149092.db2.gz PNDHDAPEMMLFOW-RHSMWYFYSA-N 2 0 346.475 1.881 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000073621946 203270983 /nfs/dbraw/zinc/27/09/83/203270983.db2.gz YNRCWTMMWMXQSE-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC[C@H](C)[NH+]2CCCCC2)cc1 ZINC000415035695 304153053 /nfs/dbraw/zinc/15/30/53/304153053.db2.gz FDOJULRCHMVXGF-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000415048193 304154336 /nfs/dbraw/zinc/15/43/36/304154336.db2.gz WYEJPMOKOOOVKH-HIFRSBDPSA-N 2 0 332.448 1.334 20 0 EDADRP CCOc1cc(C[NH2+]C[C@H]2CCCN(C(=O)C[NH3+])C2)ccc1OC ZINC000415076747 304157705 /nfs/dbraw/zinc/15/77/05/304157705.db2.gz BCEVAODDUUDBTJ-OAHLLOKOSA-N 2 0 335.448 1.381 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000415120956 304161559 /nfs/dbraw/zinc/16/15/59/304161559.db2.gz GVAXBCINCIGUFP-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP Cn1cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(C(C)(C)C)n1 ZINC000415121888 304161666 /nfs/dbraw/zinc/16/16/66/304161666.db2.gz HQLYYJQZZHPCGG-HNNXBMFYSA-N 2 0 331.468 1.605 20 0 EDADRP COc1cccc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1OC ZINC000415123773 304162261 /nfs/dbraw/zinc/16/22/61/304162261.db2.gz JQTOWUKNMPDKJC-OAHLLOKOSA-N 2 0 331.420 1.591 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000107369918 204235306 /nfs/dbraw/zinc/23/53/06/204235306.db2.gz QDGPJTAVOJPSBX-PMACEKPBSA-N 2 0 347.503 1.276 20 0 EDADRP Cc1c(C(=O)NC[C@H](CC(C)C)[NH+](C)C)nnn1C1CC[NH2+]CC1 ZINC000236680042 139028602 /nfs/dbraw/zinc/02/86/02/139028602.db2.gz KAHBDXWDHKQBIQ-HNNXBMFYSA-N 2 0 336.484 1.217 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)C[NH2+]C)c1 ZINC000236866932 139033824 /nfs/dbraw/zinc/03/38/24/139033824.db2.gz RNVPVLAIFAGFCK-CQSZACIVSA-N 2 0 334.464 1.552 20 0 EDADRP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000236989428 139037352 /nfs/dbraw/zinc/03/73/52/139037352.db2.gz AURWMYZQJYOYMX-RHSMWYFYSA-N 2 0 333.480 1.213 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000237065298 139039633 /nfs/dbraw/zinc/03/96/33/139039633.db2.gz XPXFEOSYLBWCRM-PKOBYXMFSA-N 2 0 346.519 1.684 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cn(C2CC[NH2+]CC2)nn1)c1ccccc1 ZINC000237114703 139041014 /nfs/dbraw/zinc/04/10/14/139041014.db2.gz RSZPAKASNARHAS-UHFFFAOYSA-N 2 0 342.447 1.411 20 0 EDADRP Cc1ccc(NC(=O)C[NH2+]C[C@H]2CCCO2)c(OCC[NH+](C)C)c1 ZINC000237183014 139043131 /nfs/dbraw/zinc/04/31/31/139043131.db2.gz XLIGXWINQBOHAZ-OAHLLOKOSA-N 2 0 335.448 1.643 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000237214511 139044669 /nfs/dbraw/zinc/04/46/69/139044669.db2.gz YVJUKHVYQSYULY-ROUUACIJSA-N 2 0 330.476 1.291 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]1CN(Cc2ccccc2)CCO1 ZINC000237232492 139045147 /nfs/dbraw/zinc/04/51/47/139045147.db2.gz OVOJUSWMBPFGGN-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237413310 139050592 /nfs/dbraw/zinc/05/05/92/139050592.db2.gz XFQZXHWWDBRAMR-YQVWRLOYSA-N 2 0 345.487 1.893 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000130519405 205243174 /nfs/dbraw/zinc/24/31/74/205243174.db2.gz YTPJLCHPBRFVPH-QGZVFWFLSA-N 2 0 345.491 1.891 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000237486864 139052329 /nfs/dbraw/zinc/05/23/29/139052329.db2.gz KMRAJCUBUJJZCN-QXAKKESOSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@@H]3CC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237631318 139056462 /nfs/dbraw/zinc/05/64/62/139056462.db2.gz LQONJGDWLVVXDS-RVKKMQEKSA-N 2 0 331.460 1.522 20 0 EDADRP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[NH+]1CCC(C)CC1 ZINC000111843322 220205071 /nfs/dbraw/zinc/20/50/71/220205071.db2.gz SJJKGNHVWKSKCB-INIZCTEOSA-N 2 0 340.512 1.110 20 0 EDADRP O[C@H](C[NH2+]CC1(CN2CCOCC2)CCCCC1)C[NH+]1CCCC1 ZINC000238123204 139069217 /nfs/dbraw/zinc/06/92/17/139069217.db2.gz CZTPZEWLFQAZKA-GOSISDBHSA-N 2 0 339.524 1.315 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(CO)CC2)c1)[C@@H]1CCCC[NH2+]1 ZINC000238170657 139069704 /nfs/dbraw/zinc/06/97/04/139069704.db2.gz QQUGOGWNZQRWCV-SFHVURJKSA-N 2 0 331.460 1.972 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000245585282 139080247 /nfs/dbraw/zinc/08/02/47/139080247.db2.gz JPQFZEYOVWWTPN-DLBZAZTESA-N 2 0 336.480 1.945 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1 ZINC000567700244 306459511 /nfs/dbraw/zinc/45/95/11/306459511.db2.gz HZDJXXKQZKZLME-QHAWAJNXSA-N 2 0 339.483 1.894 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC[N@@H+](C2CC2)C1 ZINC000415258158 304180015 /nfs/dbraw/zinc/18/00/15/304180015.db2.gz RFPCVJSRQPYAJE-ZDUSSCGKSA-N 2 0 342.443 1.171 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156762109 206097451 /nfs/dbraw/zinc/09/74/51/206097451.db2.gz ARPBSOMJGGEADU-SJORKVTESA-N 2 0 335.492 1.998 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1CC ZINC000246189140 139098358 /nfs/dbraw/zinc/09/83/58/139098358.db2.gz CZGSRIPCCPIIPN-FBVQUNGASA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000246994898 139130184 /nfs/dbraw/zinc/13/01/84/139130184.db2.gz PKKXAIKCMPKGJP-UNEWFSDZSA-N 2 0 344.459 1.529 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3CCCC[C@]3(C)[NH3+])CC2)CC1 ZINC000568512797 306483402 /nfs/dbraw/zinc/48/34/02/306483402.db2.gz LKRPJYVKOYDOQK-HKUYNNGSSA-N 2 0 336.524 1.380 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NC[C@@H]([NH3+])c2ccccc2)c1 ZINC000415391073 304212233 /nfs/dbraw/zinc/21/22/33/304212233.db2.gz LBVZNQHYIYLYNS-QGZVFWFLSA-N 2 0 340.427 1.503 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000248397834 139161787 /nfs/dbraw/zinc/16/17/87/139161787.db2.gz MLJRKYMULWWLEF-HWWDLCQESA-N 2 0 344.459 1.284 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000249034831 139183421 /nfs/dbraw/zinc/18/34/21/139183421.db2.gz TVWBKFFQRDXBHQ-AEFFLSMTSA-N 2 0 348.491 1.120 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000249102045 139185648 /nfs/dbraw/zinc/18/56/48/139185648.db2.gz KFVDXAJORXCKLI-GJZGRUSLSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@@H](NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C(C)(C)C[NH+](C)C ZINC000249132267 139186917 /nfs/dbraw/zinc/18/69/17/139186917.db2.gz STIVLAXYDBANSG-LSDHHAIUSA-N 2 0 342.528 1.449 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000112212977 220264210 /nfs/dbraw/zinc/26/42/10/220264210.db2.gz KBBNEUDKHUAEPV-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000261628764 139212601 /nfs/dbraw/zinc/21/26/01/139212601.db2.gz CTDGRXAEGDZUAG-MSOLQXFVSA-N 2 0 347.459 1.284 20 0 EDADRP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000261636532 139213376 /nfs/dbraw/zinc/21/33/76/139213376.db2.gz HYRWYGIVSUQLCW-QGZVFWFLSA-N 2 0 333.476 1.834 20 0 EDADRP [NH3+]C1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000261654627 139214873 /nfs/dbraw/zinc/21/48/73/139214873.db2.gz ASPITMBCIXEIQK-UHFFFAOYSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000261732748 139221523 /nfs/dbraw/zinc/22/15/23/139221523.db2.gz HVKNXOYHSIQUBW-TZMCWYRMSA-N 2 0 326.238 1.573 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2cn(C3CC[NH2+]CC3)nn2)CC1 ZINC000261774024 139224772 /nfs/dbraw/zinc/22/47/72/139224772.db2.gz XGHKMWNZEHDLAQ-UHFFFAOYSA-N 2 0 348.495 1.397 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])C2CCOCC2)[NH+](C)C)c1 ZINC000261862508 139232177 /nfs/dbraw/zinc/23/21/77/139232177.db2.gz SIZFLFDCNNIWNN-IAGOWNOFSA-N 2 0 335.448 1.168 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261847113 139231123 /nfs/dbraw/zinc/23/11/23/139231123.db2.gz QCXXTZSEPBXFIF-SPUZQDLCSA-N 2 0 331.460 1.632 20 0 EDADRP COc1cccc([C@H](CNC(=O)C2([NH3+])CCOCC2)[NH+]2CCCC2)c1 ZINC000261869732 139232854 /nfs/dbraw/zinc/23/28/54/139232854.db2.gz NZVJRQWOEUYSQO-KRWDZBQOSA-N 2 0 347.459 1.456 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000261874669 139233170 /nfs/dbraw/zinc/23/31/70/139233170.db2.gz SQKYALOUSZXSGA-RBUKOAKNSA-N 2 0 344.503 1.568 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000261880088 139233638 /nfs/dbraw/zinc/23/36/38/139233638.db2.gz PCNYZYYSQQGFDP-UHFFFAOYSA-N 2 0 331.460 1.797 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)N[C@H]2CCOc3ccccc32)CC1 ZINC000262015963 139243916 /nfs/dbraw/zinc/24/39/16/139243916.db2.gz WDPIDZPXFJJSIF-KRWDZBQOSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000415504300 304225236 /nfs/dbraw/zinc/22/52/36/304225236.db2.gz XNTROAHAVSLHFZ-MRXNPFEDSA-N 2 0 332.448 1.206 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262067633 139248189 /nfs/dbraw/zinc/24/81/89/139248189.db2.gz BKXDMCSSSSEDIK-SFHVURJKSA-N 3 0 326.448 1.055 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000414951431 250899102 /nfs/dbraw/zinc/89/91/02/250899102.db2.gz PUYAQMRFQLEYBA-CVEARBPZSA-N 2 0 346.475 1.724 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(-c2cccs2)n1 ZINC000262127913 139253324 /nfs/dbraw/zinc/25/33/24/139253324.db2.gz NHISLXBKAFRXNY-OAHLLOKOSA-N 2 0 331.489 1.628 20 0 EDADRP CCO[C@H]1C[C@H]([N@H+](C)CCC(=O)N2CC[NH2+]CC2)C1(CC)CC ZINC000262154351 139255645 /nfs/dbraw/zinc/25/56/45/139255645.db2.gz PKSNNWZHLJMOQA-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP Fc1ccc(-n2nccc2C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262153489 139255713 /nfs/dbraw/zinc/25/57/13/139255713.db2.gz ROWAHRCERSQWII-QGZVFWFLSA-N 2 0 329.423 1.491 20 0 EDADRP COc1cccc([C@@H](C)N2CCN(C(=O)[C@H]3NCCO[C@@H]3C)CC2)c1 ZINC000262235300 139262428 /nfs/dbraw/zinc/26/24/28/139262428.db2.gz KMJTXGUOTIHABX-RKVPGOIHSA-N 2 0 347.459 1.277 20 0 EDADRP O=C(CC[N@H+]1CCC(C(F)(F)F)(C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000262222653 139261269 /nfs/dbraw/zinc/26/12/69/139261269.db2.gz UQKVLBOLXVHLEB-UHFFFAOYSA-N 2 0 347.303 1.625 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416831300 251111439 /nfs/dbraw/zinc/11/14/39/251111439.db2.gz AVMCBPNDPASFIY-SJLPKXTDSA-N 2 0 328.460 1.797 20 0 EDADRP C[N@H+](CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)Cc1ccccc1 ZINC000416873025 251114614 /nfs/dbraw/zinc/11/46/14/251114614.db2.gz MXSBDUDPFGDVAM-LJQANCHMSA-N 2 0 330.476 1.904 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000417009131 251128102 /nfs/dbraw/zinc/12/81/02/251128102.db2.gz MTYWZPNXFPHHGZ-MSOLQXFVSA-N 2 0 332.492 1.991 20 0 EDADRP COC[C@@]1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]1 ZINC000417010899 251130101 /nfs/dbraw/zinc/13/01/01/251130101.db2.gz QOMJXOXQCNPRCS-IBGZPJMESA-N 2 0 346.475 1.113 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000417011542 251130972 /nfs/dbraw/zinc/13/09/72/251130972.db2.gz SIGUEHVEOHOSGD-ROUUACIJSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NCCC[N@@H+]3CCc4ccccc4C3)C[C@@H]12 ZINC000417021063 251136165 /nfs/dbraw/zinc/13/61/65/251136165.db2.gz JTODVOZJMJCJRO-GUDVDZBRSA-N 2 0 342.487 1.814 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000262333183 139271046 /nfs/dbraw/zinc/27/10/46/139271046.db2.gz SJCNFIRACAPNML-UHFFFAOYSA-N 2 0 347.507 1.542 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[NH+](C)C)cc1 ZINC000417317099 251156169 /nfs/dbraw/zinc/15/61/69/251156169.db2.gz VNYCGIMCMKYYNZ-IEBWSBKVSA-N 2 0 330.476 1.993 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC[NH2+]CCOC)C1 ZINC000417585615 251198787 /nfs/dbraw/zinc/19/87/87/251198787.db2.gz PPKREXOEBJWTPN-HNNXBMFYSA-N 2 0 328.501 1.422 20 0 EDADRP C[NH2+]CCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000417632791 251210820 /nfs/dbraw/zinc/21/08/20/251210820.db2.gz XEFCCEKHIPSYEW-UHFFFAOYSA-N 2 0 328.526 1.647 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736441 251248221 /nfs/dbraw/zinc/24/82/21/251248221.db2.gz MPQKVDZMKICNLT-QAPCUYQASA-N 2 0 344.503 1.902 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000417753074 251256741 /nfs/dbraw/zinc/25/67/41/251256741.db2.gz NXFZEMCVYNMXKI-IAGOWNOFSA-N 2 0 341.544 1.275 20 0 EDADRP COC[C@@]1(C(=O)N[C@@H](C[NH3+])c2ccc3ccccc3c2)CC[NH2+]C1 ZINC000417826164 251286392 /nfs/dbraw/zinc/28/63/92/251286392.db2.gz MLWTXIFMQPUWBH-PKOBYXMFSA-N 2 0 327.428 1.582 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)CC1 ZINC000417803425 251276337 /nfs/dbraw/zinc/27/63/37/251276337.db2.gz FPDFJWIYNMIHIH-GOEBONIOSA-N 2 0 326.485 1.173 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC([C@H](C)[NH3+])CC2)CC1 ZINC000417814615 251280783 /nfs/dbraw/zinc/28/07/83/251280783.db2.gz RYIADMFACBHAPF-HNNXBMFYSA-N 2 0 340.512 1.645 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108467 251325041 /nfs/dbraw/zinc/32/50/41/251325041.db2.gz RMBSZDLMXGKUQT-AEFFLSMTSA-N 2 0 330.476 1.807 20 0 EDADRP CCn1nncc1C[NH2+]Cc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000417861619 251302555 /nfs/dbraw/zinc/30/25/55/251302555.db2.gz ALADOKZPGSCCSL-UHFFFAOYSA-N 2 0 342.491 1.725 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418198762 251354119 /nfs/dbraw/zinc/35/41/19/251354119.db2.gz WASNIHAKZRADND-GOEBONIOSA-N 2 0 349.479 1.339 20 0 EDADRP Cc1cc(CN2C[C@@H](F)C[C@H]2CN(C)C(=O)N[C@@H](C)[C@H](C)[NH3+])on1 ZINC000418708151 251389409 /nfs/dbraw/zinc/38/94/09/251389409.db2.gz UEJUXWLWLYEPPF-XUXIUFHCSA-N 2 0 341.431 1.273 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(F)c1)C(=O)N[C@H](CC[NH3+])C(F)F ZINC000418708911 251391661 /nfs/dbraw/zinc/39/16/61/251391661.db2.gz JWNAWMSROJWNKE-CQSZACIVSA-N 2 0 346.397 1.881 20 0 EDADRP C[C@H]([NH3+])[C@H](C)NC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418702690 251388746 /nfs/dbraw/zinc/38/87/46/251388746.db2.gz HGAOBVIZBCRSSS-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H](C(=O)NCC[C@H]1CC[NH2+]C1)N1CCN(c2ccc(F)cc2)CC1 ZINC000262564149 139286894 /nfs/dbraw/zinc/28/68/94/139286894.db2.gz BKNNSJWKVHNFNX-JKSUJKDBSA-N 2 0 348.466 1.452 20 0 EDADRP [NH3+][C@H]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000262638674 139292137 /nfs/dbraw/zinc/29/21/37/139292137.db2.gz JETMZSKZINLCEO-IRXDYDNUSA-N 2 0 331.460 1.957 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000262653165 139293328 /nfs/dbraw/zinc/29/33/28/139293328.db2.gz SJGYXZKYOKPFGM-MSOLQXFVSA-N 2 0 344.503 1.751 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000262653170 139293416 /nfs/dbraw/zinc/29/34/16/139293416.db2.gz SJGYXZKYOKPFGM-ZWKOTPCHSA-N 2 0 344.503 1.751 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000262655772 139293548 /nfs/dbraw/zinc/29/35/48/139293548.db2.gz UJUDSFBFKLGULG-HKUYNNGSSA-N 2 0 346.519 1.856 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)C1 ZINC000262672352 139295194 /nfs/dbraw/zinc/29/51/94/139295194.db2.gz PETGZPBLNDGLOH-SJLPKXTDSA-N 2 0 339.524 1.972 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCCN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000262751991 139301215 /nfs/dbraw/zinc/30/12/15/139301215.db2.gz GWICLIXIPSCQPU-OAHLLOKOSA-N 2 0 338.496 1.132 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccc(NC(=O)NC2CC[NH+](C)CC2)cc1 ZINC000262778071 139302906 /nfs/dbraw/zinc/30/29/06/139302906.db2.gz LCJWNNJWLUDTSO-ZDUSSCGKSA-N 2 0 347.463 1.968 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@](C)([NH3+])c2ccccc2)C1 ZINC000262843124 139307418 /nfs/dbraw/zinc/30/74/18/139307418.db2.gz JCYKNYSWOUYWHQ-IEBWSBKVSA-N 2 0 333.476 1.820 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000262856078 139308325 /nfs/dbraw/zinc/30/83/25/139308325.db2.gz KQXQLDLJQBNBFS-JCYILVPMSA-N 2 0 325.497 1.709 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@H]3CCCC[C@H]3C[NH3+])cc2)NC(=O)NC1=O ZINC000422875011 252007827 /nfs/dbraw/zinc/00/78/27/252007827.db2.gz BHBGZONYXYMSJU-DHSIGJKJSA-N 2 0 330.432 1.348 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422876937 252008133 /nfs/dbraw/zinc/00/81/33/252008133.db2.gz GUMHRBWJZGUKEO-MHORFTMASA-N 2 0 336.524 1.439 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3c(c2)OCCO3)CC[NH2+]CC1 ZINC000422767712 251971208 /nfs/dbraw/zinc/97/12/08/251971208.db2.gz YUIUBVUSGZFATB-AWEZNQCLSA-N 2 0 348.443 1.869 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422899176 252016546 /nfs/dbraw/zinc/01/65/46/252016546.db2.gz GWVDKUFHYBKXJB-OFQRWUPVSA-N 2 0 333.432 1.028 20 0 EDADRP CCN(CC)S(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422864601 252005137 /nfs/dbraw/zinc/00/51/37/252005137.db2.gz VQKQPPCRNDNYMK-ARFHVFGLSA-N 2 0 331.526 1.558 20 0 EDADRP c1ccc(C[C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccnc2)nc1 ZINC000423174670 252042434 /nfs/dbraw/zinc/04/24/34/252042434.db2.gz BUCZJIQPCDQFNG-LJQANCHMSA-N 2 0 325.460 1.645 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423174667 252042598 /nfs/dbraw/zinc/04/25/98/252042598.db2.gz BTRNIYJWKUPSEZ-AWEZNQCLSA-N 2 0 348.882 1.867 20 0 EDADRP C[C@H](NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000423180965 252044489 /nfs/dbraw/zinc/04/44/89/252044489.db2.gz LAFMKPUABNFQDR-HNAYVOBHSA-N 2 0 344.503 1.614 20 0 EDADRP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CCCN2CC[NH2+]CC2)cc1 ZINC000423181935 252044562 /nfs/dbraw/zinc/04/45/62/252044562.db2.gz JYYDGAFVNHSNNL-LJQANCHMSA-N 2 0 342.491 1.603 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(COC)CC[NH2+]C1)c1ccsc1 ZINC000423320362 252045393 /nfs/dbraw/zinc/04/53/93/252045393.db2.gz GDBWLNYMBZRYNO-WBVHZDCISA-N 2 0 339.505 1.873 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1)C[NH+]1CCCCC1 ZINC000423351282 252049049 /nfs/dbraw/zinc/04/90/49/252049049.db2.gz HSXUFAYGYVLZQQ-HOTGVXAUSA-N 2 0 347.507 1.739 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000423357751 252052955 /nfs/dbraw/zinc/05/29/55/252052955.db2.gz ANZCJFMTBCJPHA-WBVHZDCISA-N 2 0 344.459 1.450 20 0 EDADRP CC[N@H+](CCC1CCN(C(=O)C(=O)N(C)CC[NH3+])CC1)CC(C)C ZINC000423513030 252057645 /nfs/dbraw/zinc/05/76/45/252057645.db2.gz BXUWOTWVLVWVSE-UHFFFAOYSA-N 2 0 340.512 1.010 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(CN[C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422906276 252018584 /nfs/dbraw/zinc/01/85/84/252018584.db2.gz JLCGCTCVUUZKCD-QZTJIDSGSA-N 2 0 332.492 1.728 20 0 EDADRP O=C(COC1C[NH2+]C1)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000423840314 252088848 /nfs/dbraw/zinc/08/88/48/252088848.db2.gz DTOKLKRGPMQBDZ-UHFFFAOYSA-N 2 0 343.471 1.490 20 0 EDADRP C[C@@H]1C[C@H](C)[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000424020541 252116584 /nfs/dbraw/zinc/11/65/84/252116584.db2.gz PJENNPYWTKSGSL-JZXOWHBKSA-N 2 0 345.487 1.910 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000424026419 252119058 /nfs/dbraw/zinc/11/90/58/252119058.db2.gz UOPKFYIFIOAQKA-SFHVURJKSA-N 2 0 331.460 1.861 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000423791197 252075405 /nfs/dbraw/zinc/07/54/05/252075405.db2.gz HCYJEZCMFVDBGX-QYZOEREBSA-N 2 0 344.503 1.996 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@H]1CCN(C(=O)[C@@]2(C)CCC[NH2+]C2)C1 ZINC000423795942 252079728 /nfs/dbraw/zinc/07/97/28/252079728.db2.gz KYZNPJWSXXPWDW-MJGOQNOKSA-N 2 0 330.476 1.752 20 0 EDADRP Cn1cc(C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000424152625 252145639 /nfs/dbraw/zinc/14/56/39/252145639.db2.gz JQKGWROYOJOAHH-NVXWUHKLSA-N 2 0 345.491 1.491 20 0 EDADRP COC(=O)CC1CC([NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000424272427 252187537 /nfs/dbraw/zinc/18/75/37/252187537.db2.gz UFNLKYKLQIYDCM-UHFFFAOYSA-N 2 0 345.487 1.865 20 0 EDADRP CN(C)c1ncc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)s1 ZINC000424386051 252206442 /nfs/dbraw/zinc/20/64/42/252206442.db2.gz WTWHYLIXZKHNJY-UHFFFAOYSA-N 2 0 332.477 1.846 20 0 EDADRP CC[C@@H]1CN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC[N@@H+]1C[C@@H](C)O ZINC000424440445 252231308 /nfs/dbraw/zinc/23/13/08/252231308.db2.gz UNWRFFNQMRZZBZ-RHSMWYFYSA-N 2 0 334.464 1.763 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424473347 252244795 /nfs/dbraw/zinc/24/47/95/252244795.db2.gz WFLNVEPKNZDAIG-WMLDXEAASA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424476984 252247026 /nfs/dbraw/zinc/24/70/26/252247026.db2.gz KUFIEGNUNJRTNR-QXCFHYIPSA-N 2 0 342.487 1.900 20 0 EDADRP c1c(C[NH2+][C@@H]2CCN(c3ccccn3)C2)onc1C1CC[NH2+]CC1 ZINC000425899024 252313689 /nfs/dbraw/zinc/31/36/89/252313689.db2.gz KGTDIIXUOHEWPS-OAHLLOKOSA-N 2 0 327.432 1.905 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)c1 ZINC000570340483 306538161 /nfs/dbraw/zinc/53/81/61/306538161.db2.gz SBPGNALTEUIASV-UHFFFAOYSA-N 2 0 340.427 1.554 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)Cc1cn2ccccc2n1 ZINC000263790764 139360520 /nfs/dbraw/zinc/36/05/20/139360520.db2.gz XZFOREDKECMQJT-UHFFFAOYSA-N 2 0 345.491 1.609 20 0 EDADRP CC(C)[C@H]1CN(c2cc(N3CCC[C@@H](CO)C3)ncn2)CC[N@@H+]1C ZINC000487051166 255023684 /nfs/dbraw/zinc/02/36/84/255023684.db2.gz WOQSOROSEYPPHG-HZPDHXFCSA-N 2 0 333.480 1.462 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495430728 255284757 /nfs/dbraw/zinc/28/47/57/255284757.db2.gz YGLBBCUENWKHAW-HNNXBMFYSA-N 2 0 342.528 1.905 20 0 EDADRP CC[C@@H]1CN(CCNC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CCO1 ZINC000495136939 255269910 /nfs/dbraw/zinc/26/99/10/255269910.db2.gz KJQQEOZZFRDKJU-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000415796769 304273118 /nfs/dbraw/zinc/27/31/18/304273118.db2.gz ZGTVZZSNZQATBX-INIZCTEOSA-N 2 0 346.475 1.507 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1ccncc1 ZINC000263644614 285276356 /nfs/dbraw/zinc/27/63/56/285276356.db2.gz BVCMIDPVERMWLY-SFHVURJKSA-N 2 0 332.492 1.889 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)c1ccnn1C ZINC000421757187 285279656 /nfs/dbraw/zinc/27/96/56/285279656.db2.gz MHNXJFMMRWZZQH-HOTGVXAUSA-N 2 0 335.496 1.398 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[NH2+]C[C@@H]3C2)ccc1C[NH+](C)C ZINC000415870216 304283172 /nfs/dbraw/zinc/28/31/72/304283172.db2.gz OMTJGFFNCQGMLK-JKSUJKDBSA-N 2 0 344.459 1.063 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000415910983 304284851 /nfs/dbraw/zinc/28/48/51/304284851.db2.gz CSWZIODKZOWHHH-MRXNPFEDSA-N 2 0 347.507 1.944 20 0 EDADRP CC[N@H+](CC(C)(C)O)[C@@H](C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000270695328 140149400 /nfs/dbraw/zinc/14/94/00/140149400.db2.gz DIMZAWSCQYYNOU-WMZOPIPTSA-N 2 0 347.503 1.858 20 0 EDADRP C[C@@H]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)[C@H](C[NH3+])C1 ZINC000332506450 141192899 /nfs/dbraw/zinc/19/28/99/141192899.db2.gz KOWIKDZWGROVSE-VYDXJSESSA-N 2 0 338.496 1.256 20 0 EDADRP O=C(NC[C@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000333142018 141271020 /nfs/dbraw/zinc/27/10/20/141271020.db2.gz DEFIPQXPHGMFAU-HNNXBMFYSA-N 2 0 340.537 1.647 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000333595927 141342341 /nfs/dbraw/zinc/34/23/41/141342341.db2.gz PSWJJIJTFSJTMQ-GASCZTMLSA-N 2 0 345.491 1.913 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000333850410 141394254 /nfs/dbraw/zinc/39/42/54/141394254.db2.gz PYVQKHXFJHINDM-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)CCCC1 ZINC000333921007 141410320 /nfs/dbraw/zinc/41/03/20/141410320.db2.gz QICSVGHKVPLVPR-CVEARBPZSA-N 2 0 338.496 1.399 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333945126 141415318 /nfs/dbraw/zinc/41/53/18/141415318.db2.gz SMYCPYDUWREKCU-WBVHZDCISA-N 2 0 344.459 1.206 20 0 EDADRP CC[NH+](CC)CCNC(=O)C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000339582064 142083059 /nfs/dbraw/zinc/08/30/59/142083059.db2.gz NNYTYAIRUGTJIM-QAPCUYQASA-N 2 0 340.512 1.071 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CC[NH+](C)C)C2CC[NH+](C)CC2)cc1 ZINC000340185898 142296013 /nfs/dbraw/zinc/29/60/13/142296013.db2.gz XTTHBTRGFJIXQL-UHFFFAOYSA-N 2 0 339.505 1.642 20 0 EDADRP Cc1c(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cnn1C ZINC000340224979 142311762 /nfs/dbraw/zinc/31/17/62/142311762.db2.gz GZIQZNUZRMKANB-UHFFFAOYSA-N 2 0 338.500 1.144 20 0 EDADRP CC[C@H](CNC1CC[NH+](CCCC(=O)OC)CC1)[NH+]1CCCC1 ZINC000342485067 142725716 /nfs/dbraw/zinc/72/57/16/142725716.db2.gz FVJNJAVDAZRLMZ-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCCOC3)c2)C1 ZINC000344405011 142962127 /nfs/dbraw/zinc/96/21/27/142962127.db2.gz GDSWIZHIBKTCLZ-MOPGFXCFSA-N 2 0 345.487 1.900 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1 ZINC000344949786 143029960 /nfs/dbraw/zinc/02/99/60/143029960.db2.gz OJYZJBCIJKETSH-UHFFFAOYSA-N 2 0 332.448 1.857 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@H](CC)C1 ZINC000345563495 143106200 /nfs/dbraw/zinc/10/62/00/143106200.db2.gz LWLWDROEARXYNI-JKSUJKDBSA-N 2 0 328.501 1.205 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)c2ccnc(N3CCN(C)CC3)c2)C[C@@H]1C ZINC000345897462 143144547 /nfs/dbraw/zinc/14/45/47/143144547.db2.gz BNFBQFWOGWYLOB-HOTGVXAUSA-N 2 0 345.491 1.388 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C ZINC000345916414 143146761 /nfs/dbraw/zinc/14/67/61/143146761.db2.gz IYYYPQOBDRTOCN-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000346252641 143183878 /nfs/dbraw/zinc/18/38/78/143183878.db2.gz LPPKIDAYVWDXBH-BBWFWOEESA-N 2 0 339.524 1.968 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000346282984 143186689 /nfs/dbraw/zinc/18/66/89/143186689.db2.gz LFFIDJGYMXJDEB-CVEARBPZSA-N 2 0 325.497 1.853 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COc1ccccc1 ZINC000346619474 143222804 /nfs/dbraw/zinc/22/28/04/143222804.db2.gz JLCRAMLDWFTKRS-QGZVFWFLSA-N 2 0 333.476 1.940 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCCC[NH+]2CCCC2)C1 ZINC000346876625 143254838 /nfs/dbraw/zinc/25/48/38/143254838.db2.gz QMOINLVJMYKXSN-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP Cc1ccc(-c2ncc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)s2)o1 ZINC000347024904 143273112 /nfs/dbraw/zinc/27/31/12/143273112.db2.gz ROAWRCMIANLGPV-ZDUSSCGKSA-N 2 0 348.472 1.998 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347069104 143278663 /nfs/dbraw/zinc/27/86/63/143278663.db2.gz OBIWWUUBGICMAZ-CYBMUJFWSA-N 2 0 345.422 1.503 20 0 EDADRP C[C@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000347089419 143281247 /nfs/dbraw/zinc/28/12/47/143281247.db2.gz KWWTXEQHARJJGI-QFBILLFUSA-N 2 0 345.487 1.810 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000347255859 143300791 /nfs/dbraw/zinc/30/07/91/143300791.db2.gz KWLFFUFMGHSNMZ-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCCC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000347327347 143309036 /nfs/dbraw/zinc/30/90/36/143309036.db2.gz MUIXWZNRAMHMOI-SJORKVTESA-N 2 0 342.528 1.856 20 0 EDADRP CCCC(=O)Nc1ccc(C[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000573198914 306614800 /nfs/dbraw/zinc/61/48/00/306614800.db2.gz BZLYCLZRLOUROX-GOSISDBHSA-N 2 0 348.491 1.123 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N(C)C1CC([NH3+])C1)[NH+]1CCCC1 ZINC000416841857 304350710 /nfs/dbraw/zinc/35/07/10/304350710.db2.gz MPRWMIZMPHYFAK-DQPZFDDXSA-N 2 0 346.475 1.963 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000352621272 149088688 /nfs/dbraw/zinc/08/86/88/149088688.db2.gz AALYHYAGBJOEDG-UHFFFAOYSA-N 2 0 328.501 1.253 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@H]3CCO[C@H](C)C3)CC2)C1 ZINC000352691093 149118149 /nfs/dbraw/zinc/11/81/49/149118149.db2.gz IRHLXZMAOFIXGP-CEXWTWQISA-N 2 0 339.524 1.528 20 0 EDADRP Cc1[nH]nc2ncc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)cc12 ZINC000353360906 149379555 /nfs/dbraw/zinc/37/95/55/149379555.db2.gz NRMCBMQWJGYHFC-ZDUSSCGKSA-N 2 0 331.464 1.791 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[C@H](C)C1 ZINC000353366527 149381184 /nfs/dbraw/zinc/38/11/84/149381184.db2.gz LPPZPXKMWAZPKN-OWCLPIDISA-N 2 0 342.528 1.449 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H](CC[NH3+])C(F)F)cc1 ZINC000416964263 304356422 /nfs/dbraw/zinc/35/64/22/304356422.db2.gz CGEIWHOSUCJXLT-CQSZACIVSA-N 2 0 344.406 1.409 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000416971133 304357751 /nfs/dbraw/zinc/35/77/51/304357751.db2.gz OWTSDABSPTVNFH-SFHVURJKSA-N 2 0 348.491 1.944 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)N[C@H](C[NH3+])C2CC2)CC1 ZINC000416974002 304358745 /nfs/dbraw/zinc/35/87/45/304358745.db2.gz KOLPRLLFBYYHHM-GOSISDBHSA-N 2 0 330.476 1.996 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCCC2=CC[NH2+]CC2)CC[C@H]1c1ccc(F)cc1 ZINC000573583451 306625629 /nfs/dbraw/zinc/62/56/29/306625629.db2.gz KHGZWPHDVVTVBY-ZWKOTPCHSA-N 2 0 346.450 1.962 20 0 EDADRP CCOC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353674005 286151162 /nfs/dbraw/zinc/15/11/62/286151162.db2.gz QUMLLGIECLKZNE-DLBZAZTESA-N 2 0 325.497 1.773 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354948202 150049670 /nfs/dbraw/zinc/04/96/70/150049670.db2.gz QJUILELJDZKPPA-WMZOPIPTSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000416981292 304360832 /nfs/dbraw/zinc/36/08/32/304360832.db2.gz ZWBBUUKLUZUWTH-NVXWUHKLSA-N 2 0 348.491 1.814 20 0 EDADRP C[C@H](CCNC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C)[NH+]1CCCCC1 ZINC000355085966 150109774 /nfs/dbraw/zinc/10/97/74/150109774.db2.gz WWQOARREIZHWOM-IKGGRYGDSA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)NC[C@H]1CC[NH2+]C1 ZINC000416982249 304361180 /nfs/dbraw/zinc/36/11/80/304361180.db2.gz DVASZTSXGRRIMV-INIZCTEOSA-N 2 0 348.491 1.816 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)NCC[C@@H](C)[NH3+])cc2)CC1 ZINC000416986103 304361892 /nfs/dbraw/zinc/36/18/92/304361892.db2.gz ISUZWVWJBIFVPV-MRXNPFEDSA-N 2 0 347.507 1.361 20 0 EDADRP CC[C@@H]1CN(C(=O)CC[C@H]2CCCC[NH+]2C)CC[N@@H+]1C[C@H](C)O ZINC000355625999 150342240 /nfs/dbraw/zinc/34/22/40/150342240.db2.gz WJAUTTCDZGEXLD-GVDBMIGSSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)N[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000417040303 304364915 /nfs/dbraw/zinc/36/49/15/304364915.db2.gz KKGBYBNPMKJQRV-ZIAGYGMSSA-N 2 0 332.439 1.795 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000417046611 304366282 /nfs/dbraw/zinc/36/62/82/304366282.db2.gz ZTDDAKXBEMBEHZ-OWCLPIDISA-N 2 0 326.485 1.032 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N3CC[NH2+]CC3)CC2)c1 ZINC000417050342 304367062 /nfs/dbraw/zinc/36/70/62/304367062.db2.gz JVDGHHUMHZTKIK-UHFFFAOYSA-N 2 0 345.491 1.122 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)NCC[N@H+](C)[C@H](C)CC)CC1 ZINC000357624477 151088698 /nfs/dbraw/zinc/08/86/98/151088698.db2.gz MCCRKJBPBGLHFE-OAHLLOKOSA-N 2 0 340.512 1.214 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@H](N(C)Cc2ncccn2)C1 ZINC000357921048 151196904 /nfs/dbraw/zinc/19/69/04/151196904.db2.gz WBZTVCDRZURKAC-INIZCTEOSA-N 2 0 348.495 1.424 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141503 151286309 /nfs/dbraw/zinc/28/63/09/151286309.db2.gz PNTMUNNVQWKPNV-FUHWJXTLSA-N 2 0 336.524 1.251 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000358271130 151322424 /nfs/dbraw/zinc/32/24/24/151322424.db2.gz DWTRGHQUTJEUTO-SFHVURJKSA-N 2 0 344.459 1.613 20 0 EDADRP O=C(CC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1)NC(=O)NCc1ccccc1 ZINC000360536467 152085915 /nfs/dbraw/zinc/08/59/15/152085915.db2.gz VZZRTAQIMWWNRD-SFHVURJKSA-N 2 0 330.432 1.088 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CCSC1 ZINC000360670659 152146331 /nfs/dbraw/zinc/14/63/31/152146331.db2.gz YLMAOGXBNQYCLE-RHSMWYFYSA-N 2 0 340.537 1.740 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]CC2CC[NH+](C3CC3)CC2)CC1 ZINC000361118875 152311092 /nfs/dbraw/zinc/31/10/92/152311092.db2.gz YGODWZYQIZOYPT-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000361215085 152337280 /nfs/dbraw/zinc/33/72/80/152337280.db2.gz MHNVVCHTRXMELM-LJQANCHMSA-N 2 0 342.487 1.289 20 0 EDADRP c1ccc(C[NH+]2C[C@H]3CN(CC[N@@H+]4CCCOCC4)C[C@@H]3C2)cc1 ZINC000361397926 152381174 /nfs/dbraw/zinc/38/11/74/152381174.db2.gz ZHCDOBNMJSQQAB-WOJBJXKFSA-N 2 0 329.488 1.773 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417158446 304379012 /nfs/dbraw/zinc/37/90/12/304379012.db2.gz WEQOKSRPEOVCAY-KRWDZBQOSA-N 2 0 347.507 1.483 20 0 EDADRP COc1ccc(C2CCC([NH2+]CC(=O)N3CC[NH2+]CC3)CC2)cc1 ZINC000574149479 306643323 /nfs/dbraw/zinc/64/33/23/306643323.db2.gz WKAJFJMPBSYLGV-UHFFFAOYSA-N 2 0 331.460 1.743 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@@H](O)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000574150415 306643470 /nfs/dbraw/zinc/64/34/70/306643470.db2.gz BALDVDNPXRDNLQ-VQTJNVASSA-N 2 0 333.520 1.842 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[N@@H+]2CCC[C@H]2C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000363592303 153008062 /nfs/dbraw/zinc/00/80/62/153008062.db2.gz LXSXCMSDFDCKKY-MHORFTMASA-N 2 0 337.508 1.817 20 0 EDADRP CC(C)NC(=O)C[NH+]1CCC(CC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000363608327 153011444 /nfs/dbraw/zinc/01/14/44/153011444.db2.gz ZJTGQXYLRBNURN-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000364122848 153150881 /nfs/dbraw/zinc/15/08/81/153150881.db2.gz NTHLIPMZBWDSBE-WFXMFSGNSA-N 2 0 337.508 1.852 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCCC1 ZINC000364563448 153272009 /nfs/dbraw/zinc/27/20/09/153272009.db2.gz SSGOFRMXSOUFAQ-ABSDTBQOSA-N 2 0 343.471 1.948 20 0 EDADRP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1)[NH+](C)C ZINC000364676267 153300917 /nfs/dbraw/zinc/30/09/17/153300917.db2.gz VPFSJKHCFSFAIQ-USXIJHARSA-N 2 0 335.496 1.602 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@]1(F)CC[NH2+]C1 ZINC000364871177 153356507 /nfs/dbraw/zinc/35/65/07/153356507.db2.gz GPTNNWPBMOPFSB-YOEHRIQHSA-N 2 0 335.379 1.236 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000367403187 154107113 /nfs/dbraw/zinc/10/71/13/154107113.db2.gz VVDXCSWIFUXCGG-CABCVRRESA-N 2 0 325.453 1.134 20 0 EDADRP COCCCNC(=O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367906507 154321101 /nfs/dbraw/zinc/32/11/01/154321101.db2.gz RGVODXBVJCSCIK-UHFFFAOYSA-N 2 0 334.464 1.383 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417326563 304392340 /nfs/dbraw/zinc/39/23/40/304392340.db2.gz KIXIOTJAQLDPFC-HOTGVXAUSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000417340110 304392447 /nfs/dbraw/zinc/39/24/47/304392447.db2.gz AAXWKRYSSKNAEU-BBWFWOEESA-N 2 0 346.475 1.506 20 0 EDADRP C[C@H](C(=O)Nc1ccc2c(c1)OCCO2)[NH+]1CCC(CC[NH3+])CC1 ZINC000574881559 306658838 /nfs/dbraw/zinc/65/88/38/306658838.db2.gz GEWPXULJWVECPC-CYBMUJFWSA-N 2 0 333.432 1.846 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000417477428 304398890 /nfs/dbraw/zinc/39/88/90/304398890.db2.gz GNJHEHVNMCRTLA-IRXDYDNUSA-N 2 0 348.491 1.944 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC000372011377 156209250 /nfs/dbraw/zinc/20/92/50/156209250.db2.gz BHERFTTWUNWUSX-SFHVURJKSA-N 2 0 336.524 1.345 20 0 EDADRP O=S(=O)(CC[NH+]1CC[C@@H](C2CC2)C1)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000372334845 156339887 /nfs/dbraw/zinc/33/98/87/156339887.db2.gz SYNFVWAUFUBBCD-QZTJIDSGSA-N 2 0 340.533 1.865 20 0 EDADRP O=C(Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000372431474 156386099 /nfs/dbraw/zinc/38/60/99/156386099.db2.gz NBACUQCRABHWSW-FCEWJHQRSA-N 2 0 343.427 1.534 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000372438555 156390447 /nfs/dbraw/zinc/39/04/47/156390447.db2.gz QIVWNDVUZCQKFK-CEXWTWQISA-N 2 0 343.471 1.630 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(CC(O)C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000373899147 157055018 /nfs/dbraw/zinc/05/50/18/157055018.db2.gz UTJZBBJTXUIIEX-QZTJIDSGSA-N 3 0 340.556 1.180 20 0 EDADRP COCc1nc(C)cc(N2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)n1 ZINC000374253513 157213629 /nfs/dbraw/zinc/21/36/29/157213629.db2.gz IKBAHWGCWWMICP-HNNXBMFYSA-N 2 0 333.480 1.536 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000374629069 157349347 /nfs/dbraw/zinc/34/93/47/157349347.db2.gz HSGNDGMMFSELKB-UAGQMJEPSA-N 2 0 331.460 1.826 20 0 EDADRP C[N@H+](C[C@H]1CC12CCN(C(=O)NCCn1ccnc1)CC2)C1CC1 ZINC000378353892 158148212 /nfs/dbraw/zinc/14/82/12/158148212.db2.gz HHVPRKKPQKGEON-OAHLLOKOSA-N 2 0 331.464 1.789 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000423008759 286804576 /nfs/dbraw/zinc/80/45/76/286804576.db2.gz UNYOLDCJGZRTPK-SZMVWBNQSA-N 2 0 330.476 1.302 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000352151388 162016014 /nfs/dbraw/zinc/01/60/14/162016014.db2.gz YAFUGBFLNGFZDG-KRWDZBQOSA-N 2 0 347.507 1.616 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000352208910 162051897 /nfs/dbraw/zinc/05/18/97/162051897.db2.gz VXURNLJAQBHRCL-JKSUJKDBSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000352311985 162111279 /nfs/dbraw/zinc/11/12/79/162111279.db2.gz BEFIWBOJHUUIBM-ZACQAIPSSA-N 2 0 345.553 1.995 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000418181219 304460589 /nfs/dbraw/zinc/46/05/89/304460589.db2.gz LATYDPLQCOYLBM-DDBAPUKQSA-N 2 0 348.491 1.826 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCC(=O)N2CCOCC2)C1 ZINC000247115006 287274742 /nfs/dbraw/zinc/27/47/42/287274742.db2.gz YIMQFDDSNWMOSZ-MSOLQXFVSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCCN2CCOCC2)CC1 ZINC000075677749 287278306 /nfs/dbraw/zinc/27/83/06/287278306.db2.gz QADOANKIOOVGOP-KDURUIRLSA-N 2 0 338.540 1.199 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079733289 287302516 /nfs/dbraw/zinc/30/25/16/287302516.db2.gz NSJAXYHNDWBLQP-QZTJIDSGSA-N 2 0 344.503 1.943 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC000081095040 287311522 /nfs/dbraw/zinc/31/15/22/287311522.db2.gz OMNHYFKPHUNCSV-AEFFLSMTSA-N 2 0 338.540 1.638 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418324406 304479784 /nfs/dbraw/zinc/47/97/84/304479784.db2.gz GYHDMIMGTJHEPO-AEFFLSMTSA-N 2 0 345.491 1.830 20 0 EDADRP CC[NH2+]CCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418328138 304480808 /nfs/dbraw/zinc/48/08/08/304480808.db2.gz RPXJXXKGQRUDPF-GJZGRUSLSA-N 2 0 326.485 1.127 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(=O)[nH]c2cc(F)ccc21 ZINC000121402408 287370793 /nfs/dbraw/zinc/37/07/93/287370793.db2.gz OVAXWNYBISLDGC-UHFFFAOYSA-N 2 0 348.422 1.233 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121840910 287375116 /nfs/dbraw/zinc/37/51/16/287375116.db2.gz HATZFUYXUNXFJI-HNNXBMFYSA-N 2 0 338.496 1.809 20 0 EDADRP CNS(=O)(=O)CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000122118420 222018933 /nfs/dbraw/zinc/01/89/33/222018933.db2.gz AFCKUVSKOQNSIM-UHFFFAOYSA-N 2 0 331.526 1.514 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nnc(C(F)F)s1 ZINC000131643892 287514206 /nfs/dbraw/zinc/51/42/06/287514206.db2.gz ZDXBBOLWADNCSZ-UHFFFAOYSA-N 2 0 336.412 1.433 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000665763975 452348001 /nfs/dbraw/zinc/34/80/01/452348001.db2.gz QMBNOYIMOUDROH-DLBZAZTESA-N 2 0 341.544 1.384 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418455684 304497308 /nfs/dbraw/zinc/49/73/08/304497308.db2.gz HBDJLOSQYILTGN-KBPBESRZSA-N 2 0 333.436 1.049 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000638067009 452371057 /nfs/dbraw/zinc/37/10/57/452371057.db2.gz PTZKBWADRXYLQJ-OVWQWFNUSA-N 2 0 325.497 1.628 20 0 EDADRP CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH2+]CC1 ZINC000237065889 273007458 /nfs/dbraw/zinc/00/74/58/273007458.db2.gz DSMIDMWBLXQMRJ-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237822749 273013197 /nfs/dbraw/zinc/01/31/97/273013197.db2.gz VWLRKTTUPDNQTK-IBGZPJMESA-N 2 0 344.503 1.929 20 0 EDADRP [NH3+]C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccccc1 ZINC000238020870 273013709 /nfs/dbraw/zinc/01/37/09/273013709.db2.gz IRXFATYWLJQXCM-GOSISDBHSA-N 2 0 345.487 1.880 20 0 EDADRP CC[N@H+](CCC(=O)OC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274675857 268181177 /nfs/dbraw/zinc/18/11/77/268181177.db2.gz UUVJBPMOJFQWJO-MRXNPFEDSA-N 2 0 335.448 1.291 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2([NH+](C)C)CCC2)c1 ZINC000275828795 268375650 /nfs/dbraw/zinc/37/56/50/268375650.db2.gz LHLZSTCUVWNMDD-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)C1(C)C ZINC000275808723 273129642 /nfs/dbraw/zinc/12/96/42/273129642.db2.gz QDNAMZTZZRQUGW-CKEIUWERSA-N 2 0 339.505 2.000 20 0 EDADRP CC(C)N1CCC[C@H]([NH+]2CCC(OCC[NH+]3CCCC3)CC2)C1=O ZINC000177843701 272942220 /nfs/dbraw/zinc/94/22/20/272942220.db2.gz HCQMFUKILAZQRS-SFHVURJKSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H](CC[NH3+])C3)c2)CC1 ZINC000281942392 273556818 /nfs/dbraw/zinc/55/68/18/273556818.db2.gz LHQSODIMMHDDPU-QGZVFWFLSA-N 2 0 344.503 1.635 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)c1ccccc1 ZINC000283624638 273907884 /nfs/dbraw/zinc/90/78/84/273907884.db2.gz XRJQVUKQOXOBLW-QGZVFWFLSA-N 2 0 348.491 1.206 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284674112 274289237 /nfs/dbraw/zinc/28/92/37/274289237.db2.gz MQWBIQXRJFVJPQ-SFHVURJKSA-N 2 0 331.460 1.870 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000247149765 287758866 /nfs/dbraw/zinc/75/88/66/287758866.db2.gz UEWNSESFGXNAAM-QBPKDAKJSA-N 2 0 340.512 1.658 20 0 EDADRP CC(C)[C@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407862 276013499 /nfs/dbraw/zinc/01/34/99/276013499.db2.gz KTTGFVAYQFNHCT-QZTJIDSGSA-N 2 0 338.540 1.639 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000361719754 276100425 /nfs/dbraw/zinc/10/04/25/276100425.db2.gz VGHDSPFWDPVZIX-RBUKOAKNSA-N 2 0 345.487 1.660 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C(=O)c1cccn1C ZINC000352824627 276170507 /nfs/dbraw/zinc/17/05/07/276170507.db2.gz ABMJOHNXMNQCMK-OAHLLOKOSA-N 2 0 334.464 1.082 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@@H](C)CC(N)=O)CC1 ZINC000267251680 276203172 /nfs/dbraw/zinc/20/31/72/276203172.db2.gz OKCQQVSYMQHALC-KBPBESRZSA-N 2 0 336.455 1.882 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000344697565 276243003 /nfs/dbraw/zinc/24/30/03/276243003.db2.gz LJICMFXQMRYGDY-WBVHZDCISA-N 2 0 338.540 1.543 20 0 EDADRP CCCN(CC[NH+]1CCCCCC1)C(=O)CN1CC[NH+](CC)CC1 ZINC000356647147 276254344 /nfs/dbraw/zinc/25/43/44/276254344.db2.gz OBESJVKYIBLIGR-UHFFFAOYSA-N 2 0 338.540 1.739 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000424333744 276315797 /nfs/dbraw/zinc/31/57/97/276315797.db2.gz WGHNDUCKJUNISI-IKGGRYGDSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)C1(CN[C@H](C2CC2)[C@H]2C[NH2+]CCO2)Cc2ccccc2C1 ZINC000422776449 276771334 /nfs/dbraw/zinc/77/13/34/276771334.db2.gz DOHVAKMUVXRKTD-RTBURBONSA-N 2 0 329.488 1.442 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000333129699 277027049 /nfs/dbraw/zinc/02/70/49/277027049.db2.gz BPAUAYWALXWVFL-YESZJQIVSA-N 2 0 338.496 1.148 20 0 EDADRP C[NH2+]CCCC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000262659834 277266583 /nfs/dbraw/zinc/26/65/83/277266583.db2.gz WUAWGAIFKZYCRV-SFHVURJKSA-N 2 0 332.492 1.481 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000337655947 277398385 /nfs/dbraw/zinc/39/83/85/277398385.db2.gz NDVLNYOYCICHNE-RDJZCZTQSA-N 2 0 342.553 1.843 20 0 EDADRP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000128600965 278344604 /nfs/dbraw/zinc/34/46/04/278344604.db2.gz QUPNLXVJOWRPCH-MRXNPFEDSA-N 2 0 343.479 1.341 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000339944509 279116456 /nfs/dbraw/zinc/11/64/56/279116456.db2.gz BRPXJGQWZVWVSD-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000424026418 279234752 /nfs/dbraw/zinc/23/47/52/279234752.db2.gz UOPKFYIFIOAQKA-GOSISDBHSA-N 2 0 331.460 1.861 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCc2n[nH]cc21 ZINC000342566351 279302620 /nfs/dbraw/zinc/30/26/20/279302620.db2.gz GDCDXQZXBTZVNW-HZPDHXFCSA-N 2 0 347.507 1.704 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000341047529 279333892 /nfs/dbraw/zinc/33/38/92/279333892.db2.gz KEYMEXQZMHTTNU-HOTGVXAUSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C2)CC1 ZINC000492261224 279369525 /nfs/dbraw/zinc/36/95/25/279369525.db2.gz VJFARXOUKKYCSN-JKSUJKDBSA-N 2 0 340.512 1.611 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000358959118 279379602 /nfs/dbraw/zinc/37/96/02/279379602.db2.gz QAGUNWFRZLKLAE-HNNXBMFYSA-N 2 0 327.517 1.040 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[NH+](C)C ZINC000359610073 280176413 /nfs/dbraw/zinc/17/64/13/280176413.db2.gz ZWMZRIMPGXDBLE-QZTJIDSGSA-N 2 0 333.476 1.456 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000360345635 280321803 /nfs/dbraw/zinc/32/18/03/280321803.db2.gz RANLVHKJEUBJTO-KRWDZBQOSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000417728980 282036374 /nfs/dbraw/zinc/03/63/74/282036374.db2.gz BNBQMMFAJMCLGL-ZWKOTPCHSA-N 2 0 344.503 1.902 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CCOCC1 ZINC000073235800 282039086 /nfs/dbraw/zinc/03/90/86/282039086.db2.gz WCHONTPAMTUGDY-HNNXBMFYSA-N 2 0 338.496 1.413 20 0 EDADRP CN(CC[NH+](C)C)c1cc(N(C)CC[NH+](C)C)c2ccncc2n1 ZINC000288567225 288516100 /nfs/dbraw/zinc/51/61/00/288516100.db2.gz WQHXZCPMIBJWCD-UHFFFAOYSA-N 2 0 330.480 1.625 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1ccc(I)cc1 ZINC000234256351 289170310 /nfs/dbraw/zinc/17/03/10/289170310.db2.gz TWYOGCXABCHLBN-UHFFFAOYSA-N 2 0 348.228 1.959 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105169855 289186954 /nfs/dbraw/zinc/18/69/54/289186954.db2.gz CTECREHHKZTVAT-MSOLQXFVSA-N 2 0 332.492 1.895 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NCC1CC[NH+](C)CC1 ZINC000105169977 289206822 /nfs/dbraw/zinc/20/68/22/289206822.db2.gz VOPZZQUCXNXHKQ-SFHVURJKSA-N 2 0 332.492 1.800 20 0 EDADRP COCC[C@]1(C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]C1 ZINC000370775264 292725487 /nfs/dbraw/zinc/72/54/87/292725487.db2.gz VBZKSXZNCKGBMO-GOSISDBHSA-N 2 0 325.497 1.775 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H](C(N)=O)c2ccccc2)(N2CCCCC2)CC1 ZINC000174253268 289879689 /nfs/dbraw/zinc/87/96/89/289879689.db2.gz ZWQHCIMOWSJRPH-SFHVURJKSA-N 2 0 344.503 1.753 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CN3C[C@]4(C[NH+]5CCC4CC5)OC3=O)C2)C1 ZINC000496840239 290004606 /nfs/dbraw/zinc/00/46/06/290004606.db2.gz ZZGZTGOGINZAJC-OALUTQOASA-N 2 0 348.491 1.278 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183844845 290084328 /nfs/dbraw/zinc/08/43/28/290084328.db2.gz LFIREIXPRPLCBU-AWEZNQCLSA-N 2 0 334.464 1.312 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(S(C)(=O)=O)CC2)[C@@H]2CCC[C@H]21 ZINC000367638872 290216235 /nfs/dbraw/zinc/21/62/35/290216235.db2.gz RKPKODYERAUXSM-HRCADAONSA-N 2 0 329.510 1.120 20 0 EDADRP Cn1cc(CN2C[C@H](F)C[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000354851089 294238372 /nfs/dbraw/zinc/23/83/72/294238372.db2.gz IKUQQVJYQDGUMI-VSZNYVQBSA-N 2 0 335.471 1.549 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000375993483 295240540 /nfs/dbraw/zinc/24/05/40/295240540.db2.gz QHENGELJIBARHF-MSOLQXFVSA-N 2 0 331.460 1.756 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NCC[NH+](C)C)CC[N@@H+]2C2CC2)c1 ZINC000183765764 295321023 /nfs/dbraw/zinc/32/10/23/295321023.db2.gz BYALXSUEMMWYAL-QZTJIDSGSA-N 2 0 346.475 1.834 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@]1(C)CC[NH2+]C1)[NH+]1CCCC1 ZINC000163569405 295402279 /nfs/dbraw/zinc/40/22/79/295402279.db2.gz KCVJAGBLVIADNM-LPHOPBHVSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NCC[C@H]2CCC[NH2+]2)CC1 ZINC000418546901 304511056 /nfs/dbraw/zinc/51/10/56/304511056.db2.gz ICTQPGJHHWFMDR-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418578364 304514853 /nfs/dbraw/zinc/51/48/53/304514853.db2.gz VNRFHTIQIVMOPJ-AETAKHFUSA-N 2 0 348.466 1.959 20 0 EDADRP Cc1ccc(CN(CC[NH+](C)C)C(=O)NCCC2=CC[NH2+]CC2)o1 ZINC000418602618 304517657 /nfs/dbraw/zinc/51/76/57/304517657.db2.gz NHIRBYGSWREZAZ-UHFFFAOYSA-N 2 0 334.464 1.971 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CC[NH+](C2CCC2)CC1 ZINC000418642755 304523738 /nfs/dbraw/zinc/52/37/38/304523738.db2.gz TWMVIEYOLQLEPE-GOSISDBHSA-N 2 0 328.460 1.753 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)CC(C)C ZINC000419127855 304567654 /nfs/dbraw/zinc/56/76/54/304567654.db2.gz SVQTXWMBGYWTKM-JYJNAYRXSA-N 2 0 340.512 1.103 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)CC1 ZINC000420393311 304754977 /nfs/dbraw/zinc/75/49/77/304754977.db2.gz XKTIMRMOMKVCIV-FUHWJXTLSA-N 2 0 348.466 1.153 20 0 EDADRP CC(C)[NH2+]CCC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000166553536 302938570 /nfs/dbraw/zinc/93/85/70/302938570.db2.gz BRGXMIZJNRCDQM-UHFFFAOYSA-N 2 0 332.492 1.935 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H](C)C[NH+](C)C)CC2)c1 ZINC000293601117 302991022 /nfs/dbraw/zinc/99/10/22/302991022.db2.gz ASYVOFKFGAUKHM-GOSISDBHSA-N 2 0 346.519 1.821 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294169471 303072393 /nfs/dbraw/zinc/07/23/93/303072393.db2.gz JDMIQLLLZOEWOA-UHFFFAOYSA-N 3 0 331.508 1.666 20 0 EDADRP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000294286870 303086949 /nfs/dbraw/zinc/08/69/49/303086949.db2.gz TVZDKZKRSBEZPI-KRWDZBQOSA-N 2 0 332.448 1.277 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000294981204 303159217 /nfs/dbraw/zinc/15/92/17/303159217.db2.gz GXQUSUFSPMWYCP-IRXDYDNUSA-N 2 0 346.475 1.054 20 0 EDADRP CSC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000296028973 303290108 /nfs/dbraw/zinc/29/01/08/303290108.db2.gz RXCRUETZULECAV-HUUCEWRRSA-N 2 0 337.489 1.859 20 0 EDADRP COc1cc(C[NH2+]CCN2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414860343 447331474 /nfs/dbraw/zinc/33/14/74/447331474.db2.gz CMHJRQOLWPMRPT-UHFFFAOYSA-N 2 0 347.381 1.631 20 0 EDADRP COC[C@H](C)[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000360160580 303828589 /nfs/dbraw/zinc/82/85/89/303828589.db2.gz BZGSXVKCKDLHPJ-IRXDYDNUSA-N 2 0 348.491 1.629 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC2(SC)CCOCC2)CC[NH2+]CC1 ZINC000422920121 304880300 /nfs/dbraw/zinc/88/03/00/304880300.db2.gz LOCKMJMZFCWBSO-CQSZACIVSA-N 2 0 344.521 1.810 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)[C@H]1CC[NH2+]C1 ZINC000422940027 304880712 /nfs/dbraw/zinc/88/07/12/304880712.db2.gz MXBVZFLCJSSFQT-RWMBFGLXSA-N 2 0 343.265 1.776 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](CO)c2cccc(F)c2)CC[NH2+]CC1 ZINC000422985541 304882158 /nfs/dbraw/zinc/88/21/58/304882158.db2.gz FFFLQKOMOLIPMT-XJKSGUPXSA-N 2 0 338.423 1.770 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)[C@H](O)Cc2ccccc2)CC[NH2+]CC1 ZINC000422995532 304882354 /nfs/dbraw/zinc/88/23/54/304882354.db2.gz KILAKJDPVUWIRX-SOLBZPMBSA-N 2 0 348.487 1.890 20 0 EDADRP CCNC(=O)C1(C[NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)CCC1 ZINC000423077688 304884350 /nfs/dbraw/zinc/88/43/50/304884350.db2.gz MQKPEYZPPKQFNJ-CQSZACIVSA-N 2 0 339.480 1.204 20 0 EDADRP Cc1cc(Cl)ccc1S(=O)(=O)NCC[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423106636 304886344 /nfs/dbraw/zinc/88/63/44/304886344.db2.gz JYMNLTPACKSLJY-QWHCGFSZSA-N 2 0 345.896 1.514 20 0 EDADRP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423208601 304889437 /nfs/dbraw/zinc/88/94/37/304889437.db2.gz TVFDKHRIFZRAGL-OAHLLOKOSA-N 2 0 333.480 1.772 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000423377819 304893982 /nfs/dbraw/zinc/89/39/82/304893982.db2.gz KLHGNJJPGUVAAE-WZRBSPASSA-N 2 0 328.254 1.729 20 0 EDADRP [NH3+]CC1(CC(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000423400513 304894552 /nfs/dbraw/zinc/89/45/52/304894552.db2.gz FOECCRBOSDEZLT-UHFFFAOYSA-N 2 0 331.460 1.906 20 0 EDADRP CC(C)n1cc([C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cn1 ZINC000423400708 304894681 /nfs/dbraw/zinc/89/46/81/304894681.db2.gz XBAVFWLPYNMDJA-OCCSQVGLSA-N 2 0 333.402 1.951 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000423739470 304907082 /nfs/dbraw/zinc/90/70/82/304907082.db2.gz FVGMULQQYYRKDL-MTCSXPRVSA-N 2 0 337.508 1.709 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000423752355 304908397 /nfs/dbraw/zinc/90/83/97/304908397.db2.gz CBXOXNCITDMRFY-KRWDZBQOSA-N 2 0 347.459 1.468 20 0 EDADRP CC(C)[NH+]1CCN(c2cccc(NC(=O)C[C@H]3COCC[NH2+]3)c2)CC1 ZINC000423847417 304912164 /nfs/dbraw/zinc/91/21/64/304912164.db2.gz ORTHGDJNZIGPDQ-KRWDZBQOSA-N 2 0 346.475 1.534 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H](CC(C)C)C[NH+](C)C)CC1 ZINC000425482046 304965533 /nfs/dbraw/zinc/96/55/33/304965533.db2.gz SOMZHGNIYGPOLA-INIZCTEOSA-N 2 0 342.528 1.715 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CCCC[C@H]1C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430570412 305056448 /nfs/dbraw/zinc/05/64/48/305056448.db2.gz GSZCKAZKQFNUAI-HLLBOEOZSA-N 2 0 325.497 1.900 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)CN2CC[C@H]([NH3+])C2)CC1 ZINC000430638339 305060868 /nfs/dbraw/zinc/06/08/68/305060868.db2.gz FKLDSCIFEKGPNY-SFHVURJKSA-N 2 0 330.476 1.062 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH2+]C[C@H]2CCCO2)C1 ZINC000430707820 305063062 /nfs/dbraw/zinc/06/30/62/305063062.db2.gz HOMYMZKAAOJIHL-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771115 305064585 /nfs/dbraw/zinc/06/45/85/305064585.db2.gz BGNULFIIJCFPAO-AZUAARDMSA-N 2 0 345.487 1.783 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000430773075 305064642 /nfs/dbraw/zinc/06/46/42/305064642.db2.gz PYAUOYFXZVRCFH-YESZJQIVSA-N 2 0 325.497 1.772 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000430900349 305067318 /nfs/dbraw/zinc/06/73/18/305067318.db2.gz NGMMBLWLLGKQNA-UHFFFAOYSA-N 2 0 331.460 1.345 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@@H]2CCN(c3cc(OC)cc(OC)c3)C2=O)CC1 ZINC000430960991 305070979 /nfs/dbraw/zinc/07/09/79/305070979.db2.gz AXNCYDQBCYBLTF-GOSISDBHSA-N 2 0 347.459 1.741 20 0 EDADRP CC(C)(C[NH3+])C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000431011373 305072781 /nfs/dbraw/zinc/07/27/81/305072781.db2.gz UOYMFRIKYZDAGN-UHFFFAOYSA-N 2 0 332.492 1.295 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@@H]2CCOc3ccc(F)cc32)CC1 ZINC000433121322 305100803 /nfs/dbraw/zinc/10/08/03/305100803.db2.gz RFCZXFCUDWHVMK-MRXNPFEDSA-N 2 0 335.423 1.969 20 0 EDADRP CCOC(=O)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@H](C)CC ZINC000433117107 305100977 /nfs/dbraw/zinc/10/09/77/305100977.db2.gz MOWACHZWZOVBFY-CJNGLKHVSA-N 2 0 327.469 1.284 20 0 EDADRP COC(=O)c1cc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)ccc1C ZINC000433122193 305100999 /nfs/dbraw/zinc/10/09/99/305100999.db2.gz UVNZXXBUXKWYPM-UHFFFAOYSA-N 2 0 333.432 1.923 20 0 EDADRP CN(C)C(=O)Cc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1 ZINC000433129445 305101297 /nfs/dbraw/zinc/10/12/97/305101297.db2.gz ZLIGBBUCVBLDKR-UHFFFAOYSA-N 2 0 346.475 1.459 20 0 EDADRP CNC(=O)c1cccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)c1C ZINC000433145961 305101662 /nfs/dbraw/zinc/10/16/62/305101662.db2.gz SJYHEQSYWGVSON-UHFFFAOYSA-N 2 0 332.448 1.496 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCC(=O)N2)CC1 ZINC000433188324 305102589 /nfs/dbraw/zinc/10/25/89/305102589.db2.gz QGALBOHCOCQEGX-SFHVURJKSA-N 2 0 344.503 1.977 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)C(C)(C)C[NH+](C)C ZINC000433388135 305107443 /nfs/dbraw/zinc/10/74/43/305107443.db2.gz LQFIWGNWVUTOEW-HZPDHXFCSA-N 2 0 342.528 1.763 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433412021 305108443 /nfs/dbraw/zinc/10/84/43/305108443.db2.gz POKZXSIUERKULO-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N(Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435569184 305142646 /nfs/dbraw/zinc/14/26/46/305142646.db2.gz JDDJEOZKYIBDEO-AWEZNQCLSA-N 2 0 336.505 1.954 20 0 EDADRP COC(=O)CC1(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CC1 ZINC000440492500 305207838 /nfs/dbraw/zinc/20/78/38/305207838.db2.gz UGPKHBVATBHVSR-UHFFFAOYSA-N 2 0 337.508 1.679 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCN2CC[N@H+](C)C(C)(C)C2)[C@@H]1C ZINC000441335858 305221231 /nfs/dbraw/zinc/22/12/31/305221231.db2.gz RCQFHHKTESUYKL-PMPSAXMXSA-N 2 0 325.497 1.580 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2)CC1 ZINC000444265420 305244988 /nfs/dbraw/zinc/24/49/88/305244988.db2.gz FJHFITKBLKXMSX-QUCCMNQESA-N 2 0 342.487 1.050 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@]2([NH3+])[C@@H]3CCCO[C@@H]3C2(C)C)CCSC1 ZINC000446289746 305262707 /nfs/dbraw/zinc/26/27/07/305262707.db2.gz SOEMNJGGKXWGKU-OSRSDYAFSA-N 2 0 341.521 1.072 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000446358667 305263686 /nfs/dbraw/zinc/26/36/86/305263686.db2.gz ASVHNJRUGNMYCZ-AXVVYFOYSA-N 2 0 349.519 1.900 20 0 EDADRP CN(CC(O)CN(C)CC1([NH+](C)C)CCC1)CC1([NH+](C)C)CCC1 ZINC000447262028 305276597 /nfs/dbraw/zinc/27/65/97/305276597.db2.gz CBBNGZAVNLLYQN-UHFFFAOYSA-N 2 0 340.556 1.180 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449084538 305306073 /nfs/dbraw/zinc/30/60/73/305306073.db2.gz HUERNQBIXPTYTK-NUWOQIAWSA-N 2 0 325.497 1.757 20 0 EDADRP CN1CCN(c2ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn2)CC1 ZINC000449527754 305312882 /nfs/dbraw/zinc/31/28/82/305312882.db2.gz KSVJGDZLSFXQSB-UHFFFAOYSA-N 2 0 334.512 1.438 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)Nc2nc(C)cs2)CC1 ZINC000451975879 305375485 /nfs/dbraw/zinc/37/54/85/305375485.db2.gz AHFYMKBGXRFOPI-UHFFFAOYSA-N 2 0 339.509 1.396 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@@H](O)COc2ccccc2C)CC1 ZINC000451975890 305375563 /nfs/dbraw/zinc/37/55/63/305375563.db2.gz AJPQWYJPSPPALI-GOSISDBHSA-N 2 0 349.519 1.740 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]C[C@H](O)COc2ccccc2C)CC1 ZINC000451975891 305375571 /nfs/dbraw/zinc/37/55/71/305375571.db2.gz AJPQWYJPSPPALI-SFHVURJKSA-N 2 0 349.519 1.740 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000414913518 447355329 /nfs/dbraw/zinc/35/53/29/447355329.db2.gz WDBVAEAGCSUVFN-OAHLLOKOSA-N 2 0 332.448 1.145 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCC[C@@H]2CC[NH2+]C2)CC[C@H]1c1ccc(F)cc1 ZINC000519690515 305772949 /nfs/dbraw/zinc/77/29/49/305772949.db2.gz GWVKRWPFAHIMDK-RRQGHBQHSA-N 2 0 334.439 1.652 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])c1 ZINC000519829902 305776256 /nfs/dbraw/zinc/77/62/56/305776256.db2.gz VITAEBAKXISOCV-UONOGXRCSA-N 2 0 334.464 1.709 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H]1CCCC[N@@H+]1CC(C)C ZINC000419705523 447362042 /nfs/dbraw/zinc/36/20/42/447362042.db2.gz ZWHPGBWCUPQLNS-CVEARBPZSA-N 2 0 340.512 1.247 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C1CCOCC1 ZINC000526117725 305834755 /nfs/dbraw/zinc/83/47/55/305834755.db2.gz GAVJOQBCPACIMW-RCCFBDPRSA-N 2 0 326.481 1.395 20 0 EDADRP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](CCc3ccncc3)CC2)CC[N@@H+]1C ZINC000377796792 447360787 /nfs/dbraw/zinc/36/07/87/447360787.db2.gz UUKZZKLBUYPKDG-WMZOPIPTSA-N 2 0 344.503 1.935 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000529310649 305907739 /nfs/dbraw/zinc/90/77/39/305907739.db2.gz RHQMXRGUGPYRGJ-GOEBONIOSA-N 2 0 336.480 1.071 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000529310648 305907830 /nfs/dbraw/zinc/90/78/30/305907830.db2.gz RHQMXRGUGPYRGJ-GDBMZVCRSA-N 2 0 336.480 1.071 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ncccc1Br ZINC000530486775 305941515 /nfs/dbraw/zinc/94/15/15/305941515.db2.gz XWLIXOJNYYFWNG-UHFFFAOYSA-N 2 0 343.269 1.410 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCCCC[NH+]2CCN(C)CC2)C[C@H]1C ZINC000536553810 306022230 /nfs/dbraw/zinc/02/22/30/306022230.db2.gz JXFYSBFIQQZAOM-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H](NC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1=CC[NH+](C)CC1 ZINC000541896825 306049429 /nfs/dbraw/zinc/04/94/29/306049429.db2.gz HWANZTRJWSHBIW-OXJNMPFZSA-N 2 0 343.471 1.390 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000414947698 447369208 /nfs/dbraw/zinc/36/92/08/447369208.db2.gz LBXJBFDPDNPHFD-WBVHZDCISA-N 2 0 344.459 1.260 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)CC1 ZINC000458486735 447384366 /nfs/dbraw/zinc/38/43/66/447384366.db2.gz BKQOAGKIWCADRN-ZBFHGGJFSA-N 2 0 328.526 1.549 20 0 EDADRP CN(C)c1nccc(N2C[C@@H](F)C[C@H]2C[NH2+]C[C@H]2CCC[NH2+]C2)n1 ZINC000415112654 447390440 /nfs/dbraw/zinc/39/04/40/447390440.db2.gz VSBRKUCPOCAOFT-KKUMJFAQSA-N 2 0 336.459 1.049 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)c2cnn(CC[NH+]3CCCCC3)c2)[C@@H](C)C1 ZINC000378123580 447402315 /nfs/dbraw/zinc/40/23/15/447402315.db2.gz ZLVZADDVLKMCIW-WMZOPIPTSA-N 2 0 347.507 1.828 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000378209536 447407749 /nfs/dbraw/zinc/40/77/49/447407749.db2.gz ZLWOHTLLYLOYDJ-KURKYZTESA-N 2 0 330.476 1.219 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000419794951 447416207 /nfs/dbraw/zinc/41/62/07/447416207.db2.gz IFJFODONYKMGJE-HNNXBMFYSA-N 2 0 328.501 1.053 20 0 EDADRP C[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000419806240 447425104 /nfs/dbraw/zinc/42/51/04/447425104.db2.gz RCZDFCAKKYGEKU-HUUCEWRRSA-N 2 0 338.496 1.001 20 0 EDADRP CCC[C@@H](O)[C@@H](CO)[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000419811126 447427577 /nfs/dbraw/zinc/42/75/77/447427577.db2.gz HGBWMYIGRFVFKL-UYAOXDASSA-N 2 0 349.519 1.829 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCO[C@H](CC)C2)[C@@H](C)C1 ZINC000494453418 447437898 /nfs/dbraw/zinc/43/78/98/447437898.db2.gz KYGXDTDNUAQACC-OTWHNJEPSA-N 2 0 341.540 1.824 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@H](C)[N@H+](C)C1CC1)[NH+]1CCN(C)CC1 ZINC000105105801 441234985 /nfs/dbraw/zinc/23/49/85/441234985.db2.gz IQGWZKKOYCFCJP-DOTOQJQBSA-N 2 0 339.528 1.040 20 0 EDADRP C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000072714932 441254623 /nfs/dbraw/zinc/25/46/23/441254623.db2.gz AKNAUFMMOWRVAF-IRXDYDNUSA-N 2 0 347.503 1.858 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000112436537 441548117 /nfs/dbraw/zinc/54/81/17/441548117.db2.gz SMXUPYVJGIRJFC-KRWDZBQOSA-N 2 0 341.544 1.290 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000113604595 441618015 /nfs/dbraw/zinc/61/80/15/441618015.db2.gz ATMOXBXXCSESGI-KRWDZBQOSA-N 2 0 340.512 1.661 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCCCC[NH+]1CCOCC1 ZINC000076311256 441628418 /nfs/dbraw/zinc/62/84/18/441628418.db2.gz ZNMVTRULGUOUNP-QGZVFWFLSA-N 2 0 341.496 1.008 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000173398946 441734953 /nfs/dbraw/zinc/73/49/53/441734953.db2.gz CYJZIJJXFQMLLM-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000068127265 441739136 /nfs/dbraw/zinc/73/91/36/441739136.db2.gz WUKKXDVDFGEVIQ-IAGOWNOFSA-N 2 0 331.460 1.984 20 0 EDADRP COc1cc(F)cc(CNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000091922444 441752855 /nfs/dbraw/zinc/75/28/55/441752855.db2.gz SYHOGWJOYYBMMO-UHFFFAOYSA-N 2 0 340.443 1.469 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC000068277481 441768275 /nfs/dbraw/zinc/76/82/75/441768275.db2.gz UIHOLANFPWRUEW-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+]C2(c3ccccc3)CC2)C1 ZINC000077378010 441768556 /nfs/dbraw/zinc/76/85/56/441768556.db2.gz SBKGEJCAWCVZDV-GOSISDBHSA-N 2 0 345.487 1.738 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000137512245 441772381 /nfs/dbraw/zinc/77/23/81/441772381.db2.gz MFQILNLSFIEFQR-HKUYNNGSSA-N 2 0 344.503 1.403 20 0 EDADRP C[C@H](CNC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1)[N@H+](C)C1CC1 ZINC000077593417 441811214 /nfs/dbraw/zinc/81/12/14/441811214.db2.gz YARFJHHFMXRIPA-HUUCEWRRSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000116537850 441827444 /nfs/dbraw/zinc/82/74/44/441827444.db2.gz CQQJROVXGLOVQI-NJAFHUGGSA-N 2 0 345.491 1.685 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](CC(=O)N(C)CC3CC3)CC2)C[C@@H](C)O1 ZINC000069016974 441879271 /nfs/dbraw/zinc/87/92/71/441879271.db2.gz RROPTJWBFDYDEP-HZPDHXFCSA-N 2 0 337.508 1.676 20 0 EDADRP COC(=O)c1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000123324164 441883360 /nfs/dbraw/zinc/88/33/60/441883360.db2.gz YZPZRJLGIKSGMA-CJNGLKHVSA-N 2 0 333.432 1.826 20 0 EDADRP Cc1cc2ncc([C@@H](C)[NH2+][C@H](C)CN3CC[NH+](C)CC3)c(C)n2n1 ZINC000093406101 441886507 /nfs/dbraw/zinc/88/65/07/441886507.db2.gz YHVOALMERMDACY-HUUCEWRRSA-N 2 0 330.480 1.633 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCS(=O)(=O)C2)cc1 ZINC000119612699 441942763 /nfs/dbraw/zinc/94/27/63/441942763.db2.gz LSHVOGNQMDBHBP-OAHLLOKOSA-N 2 0 326.462 1.294 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](CC2CC2)CC1 ZINC000079874943 442092971 /nfs/dbraw/zinc/09/29/71/442092971.db2.gz ZOOHCGCMECFVPU-LJQANCHMSA-N 2 0 342.487 1.998 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC2CC[NH+](C)CC2)cc1 ZINC000126385680 442106682 /nfs/dbraw/zinc/10/66/82/442106682.db2.gz SURMAEFZTKKAAD-CYBMUJFWSA-N 2 0 325.478 1.587 20 0 EDADRP CCc1nccn1[C@H]1CCCN(C(=O)N[C@@H](C)CN2CCOCC2)C1 ZINC000152204407 442181457 /nfs/dbraw/zinc/18/14/57/442181457.db2.gz LXLKEUZAZBRTTN-HOTGVXAUSA-N 2 0 349.479 1.513 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(S(=O)(=O)N(C)C)cc2)C1 ZINC000121159900 442184340 /nfs/dbraw/zinc/18/43/40/442184340.db2.gz IBHHMRJLLXQRQL-GJZGRUSLSA-N 2 0 339.505 1.929 20 0 EDADRP Fc1cncc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)c1 ZINC000494611269 447447350 /nfs/dbraw/zinc/44/73/50/447447350.db2.gz IUBDQOBPBXDBIN-UHFFFAOYSA-N 2 0 344.438 1.703 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CCOc3cccc(OC)c3)C2)CC1 ZINC000153145366 442263855 /nfs/dbraw/zinc/26/38/55/442263855.db2.gz LJFLXMWGFTZNSD-QGZVFWFLSA-N 2 0 333.476 1.786 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000130645331 442352677 /nfs/dbraw/zinc/35/26/77/442352677.db2.gz MYVLLSJVOGNNLQ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000153896300 442309238 /nfs/dbraw/zinc/30/92/38/442309238.db2.gz QVQWAMCPTWCNEL-UHFFFAOYSA-N 2 0 334.464 1.980 20 0 EDADRP CC[N@H+](C)CCNC(=O)CN1CCc2cc(OC)c(OC)cc2C1 ZINC000155349414 442389501 /nfs/dbraw/zinc/38/95/01/442389501.db2.gz LGUDFZWQSOIXJV-UHFFFAOYSA-N 2 0 335.448 1.130 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)CC1 ZINC000178841536 442499257 /nfs/dbraw/zinc/49/92/57/442499257.db2.gz NHSBAFHRBYSPCX-INIZCTEOSA-N 2 0 344.503 1.633 20 0 EDADRP COC(=O)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000191552090 442462575 /nfs/dbraw/zinc/46/25/75/442462575.db2.gz NSLDTXRVPCDVLP-UHFFFAOYSA-N 2 0 325.497 1.820 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C[NH2+]C)C3)cc2)CC1 ZINC000178992354 442546775 /nfs/dbraw/zinc/54/67/75/442546775.db2.gz WUZNPMISVRHKSD-MRXNPFEDSA-N 2 0 330.476 1.510 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000179853911 442512043 /nfs/dbraw/zinc/51/20/43/442512043.db2.gz DFMXFLUSADOOCX-MAUKXSAKSA-N 2 0 333.476 1.108 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(Cc2c(C)nn(C)c2N2CCOCC2)C1 ZINC000180006211 442528090 /nfs/dbraw/zinc/52/80/90/442528090.db2.gz LCBXSELZACAWQR-QGZVFWFLSA-N 2 0 349.523 1.729 20 0 EDADRP C[C@H]1CC[NH2+]C[C@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000186724635 442601409 /nfs/dbraw/zinc/60/14/09/442601409.db2.gz DQKHTYMNIISSRE-PKOBYXMFSA-N 2 0 344.503 1.703 20 0 EDADRP CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000179062148 442563504 /nfs/dbraw/zinc/56/35/04/442563504.db2.gz SWNAJTMSUHREQJ-GOSISDBHSA-N 2 0 330.476 1.409 20 0 EDADRP CN(C)c1ccccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000173279094 442639709 /nfs/dbraw/zinc/63/97/09/442639709.db2.gz DVPWEVYSCGPWTK-UHFFFAOYSA-N 2 0 332.492 1.642 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CC(=O)N(CCOc2ccccc2)C1 ZINC000181142622 442681959 /nfs/dbraw/zinc/68/19/59/442681959.db2.gz BCSPSZGTXWDMBW-MTNOOBJLSA-N 2 0 345.487 1.985 20 0 EDADRP C[C@@H]1CN(C(=O)NCCC[NH+]2CCCCC2)CC[N@@H+]1CC(C)(C)O ZINC000187219246 442661092 /nfs/dbraw/zinc/66/10/92/442661092.db2.gz LOQDZZSGLHTJQF-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)c3c[nH+]ccc3N)CC2)C[C@@H](C)O1 ZINC000188135233 442714972 /nfs/dbraw/zinc/71/49/72/442714972.db2.gz SSVKWGZKLWONLI-ZIAGYGMSSA-N 2 0 332.448 1.625 20 0 EDADRP COc1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)ccc1C ZINC000193811803 442791816 /nfs/dbraw/zinc/79/18/16/442791816.db2.gz CFKBWQWHIPJFQL-UHFFFAOYSA-N 2 0 333.476 1.893 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)CC(=O)OC(C)(C)C)CC1 ZINC000182631782 442798076 /nfs/dbraw/zinc/79/80/76/442798076.db2.gz IMRQTNXSDRKLIV-JKSUJKDBSA-N 2 0 327.513 1.970 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188751902 442803840 /nfs/dbraw/zinc/80/38/40/442803840.db2.gz DFRLLOMQOXPHBT-OFQRWUPVSA-N 2 0 348.422 1.022 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000193690024 442767340 /nfs/dbraw/zinc/76/73/40/442767340.db2.gz KYSCZHHLEIFQJH-QGZVFWFLSA-N 2 0 346.475 1.208 20 0 EDADRP O=C(C[C@H]1CCCCO1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000267988584 442808677 /nfs/dbraw/zinc/80/86/77/442808677.db2.gz ZHNWUQJNTSGBGX-GOSISDBHSA-N 2 0 346.475 1.669 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)Oc1cccnc1 ZINC000265530140 442810910 /nfs/dbraw/zinc/81/09/10/442810910.db2.gz FMMLXXAQPSBMIA-IAGOWNOFSA-N 2 0 348.491 1.723 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2CCN2CCOC[C@H]2C)C[C@@H](C)O1 ZINC000249061147 442948931 /nfs/dbraw/zinc/94/89/31/442948931.db2.gz PQDTWLJBOHQFHH-TVFCKZIOSA-N 2 0 325.497 1.281 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000268244500 442915723 /nfs/dbraw/zinc/91/57/23/442915723.db2.gz RTDTYJAJEGHJNS-BPQIPLTHSA-N 2 0 332.492 1.751 20 0 EDADRP CO[C@H]1C[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@H]1C ZINC000189357142 442928565 /nfs/dbraw/zinc/92/85/65/442928565.db2.gz KPJCRFFSMNSCQQ-NJAFHUGGSA-N 2 0 333.476 1.762 20 0 EDADRP C[C@H]1CN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1[NH+](C)C ZINC000268418114 442981908 /nfs/dbraw/zinc/98/19/08/442981908.db2.gz VUISXRPYBRBOOQ-YJBOKZPZSA-N 2 0 330.476 1.636 20 0 EDADRP C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249539449 442984028 /nfs/dbraw/zinc/98/40/28/442984028.db2.gz DNHAHKMQIYBRIO-YVWKXTFCSA-N 2 0 347.503 1.888 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H](C)C2CCCC2)C1 ZINC000184611865 443049172 /nfs/dbraw/zinc/04/91/72/443049172.db2.gz ARHRDHUPGDIKID-RDJZCZTQSA-N 2 0 325.497 1.628 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)NCCC[N@H+](C)CCOC)c1 ZINC000268802802 443112778 /nfs/dbraw/zinc/11/27/78/443112778.db2.gz HZJLGCMZJUFESZ-CQSZACIVSA-N 2 0 343.493 1.214 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000237203089 443163430 /nfs/dbraw/zinc/16/34/30/443163430.db2.gz HDCZNDHRXDXDLB-QUCCMNQESA-N 2 0 344.503 1.481 20 0 EDADRP CN(C)Cc1nc(C(C)(C)NC(=O)CC[C@H]([NH3+])c2ccccc2)no1 ZINC000237061611 443158241 /nfs/dbraw/zinc/15/82/41/443158241.db2.gz KBEKCTFIEQABAG-AWEZNQCLSA-N 2 0 345.447 1.963 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[NH+]1CCC(C)CC1 ZINC000185573313 443221303 /nfs/dbraw/zinc/22/13/03/443221303.db2.gz XETFUODNONVKAP-QGZVFWFLSA-N 2 0 339.528 1.044 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000269109470 443200767 /nfs/dbraw/zinc/20/07/67/443200767.db2.gz NCVFVYPIRCJVFD-GOSISDBHSA-N 2 0 330.476 1.998 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000262583627 443201698 /nfs/dbraw/zinc/20/16/98/443201698.db2.gz NGWAPKDRSWASRS-GDBMZVCRSA-N 2 0 331.464 1.033 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)CC1 ZINC000185473107 443204676 /nfs/dbraw/zinc/20/46/76/443204676.db2.gz DBTLKEKPVQSADS-INIZCTEOSA-N 2 0 339.528 1.184 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000262853049 443214973 /nfs/dbraw/zinc/21/49/73/443214973.db2.gz VOIQJFKKWAIZQC-SJORKVTESA-N 2 0 345.491 1.898 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397590106 319135788 /nfs/dbraw/zinc/13/57/88/319135788.db2.gz LVZJNQMPAOSOIU-HKUYNNGSSA-N 2 0 347.503 1.370 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C(C)C)C2(CO)CCC2)CC1 ZINC000411769237 319202209 /nfs/dbraw/zinc/20/22/09/319202209.db2.gz IMPRSCMGDOJLPN-KRWDZBQOSA-N 2 0 325.497 1.364 20 0 EDADRP CC(C)[C@@H](CO)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000411785678 319203573 /nfs/dbraw/zinc/20/35/73/319203573.db2.gz JBFKDAJSTQDZEQ-IEBWSBKVSA-N 2 0 341.540 1.854 20 0 EDADRP O=C([C@@H]1CCC[N@H+](C[C@@H]2C[C@H]2c2ccccc2)C1)N1CC[NH2+]CC1 ZINC000414656860 319337270 /nfs/dbraw/zinc/33/72/70/319337270.db2.gz NSDRTCRZDDEKFE-QYZOEREBSA-N 2 0 327.472 1.934 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000414693086 319343450 /nfs/dbraw/zinc/34/34/50/319343450.db2.gz BSUGQOASYKUWTJ-UONOGXRCSA-N 2 0 332.448 1.635 20 0 EDADRP COCCOc1cccc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415130070 319347288 /nfs/dbraw/zinc/34/72/88/319347288.db2.gz QEFUJDIDGYQLQF-KRWDZBQOSA-N 2 0 345.447 1.599 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415229256 319354183 /nfs/dbraw/zinc/35/41/83/319354183.db2.gz LUMPARXKDKVOKG-XJKSGUPXSA-N 2 0 330.432 1.169 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000415242176 319356163 /nfs/dbraw/zinc/35/61/63/319356163.db2.gz NMUSMRRPZTZRKH-LJQANCHMSA-N 2 0 344.459 1.289 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C[N@@H+]1C1CC1 ZINC000246144406 443272871 /nfs/dbraw/zinc/27/28/71/443272871.db2.gz CFLVKAJALIACCI-BFYDXBDKSA-N 2 0 338.496 1.364 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](C(N)=O)c2ccccc2)cc1 ZINC000264369406 443265806 /nfs/dbraw/zinc/26/58/06/443265806.db2.gz LFRGSOMZHVVKIZ-LJQANCHMSA-N 2 0 341.455 1.986 20 0 EDADRP O=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000416833697 319465397 /nfs/dbraw/zinc/46/53/97/319465397.db2.gz CSQUWZQGAXPHDY-ZNMIVQPWSA-N 2 0 334.489 1.746 20 0 EDADRP CCc1ccc([C@H](CNC(=O)NC[C@@H]2C[NH2+]CCCO2)[NH+](C)C)cc1 ZINC000416838387 319465906 /nfs/dbraw/zinc/46/59/06/319465906.db2.gz JBZSMFIJJNYHMK-ROUUACIJSA-N 2 0 348.491 1.529 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC2(C1)CC[NH2+]CC2)Cc1ccccc1 ZINC000416851889 319466757 /nfs/dbraw/zinc/46/67/57/319466757.db2.gz RWVGDEULTAHEDJ-SFHVURJKSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000416938320 319479209 /nfs/dbraw/zinc/47/92/09/319479209.db2.gz FHJMRIKWYQLXMP-RBSFLKMASA-N 2 0 326.485 1.255 20 0 EDADRP CC(C)(C[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418569041 319506098 /nfs/dbraw/zinc/50/60/98/319506098.db2.gz PDPBKWQPMLACDL-FZMZJTMJSA-N 2 0 326.391 1.447 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418568179 319506110 /nfs/dbraw/zinc/50/61/10/319506110.db2.gz OOBVGSZLDQDWNV-NVBFEUDRSA-N 2 0 326.391 1.447 20 0 EDADRP COCCC[C@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272609316 443381753 /nfs/dbraw/zinc/38/17/53/443381753.db2.gz WOZDVTWRUJQWNO-KRWDZBQOSA-N 2 0 348.491 1.773 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)CC1 ZINC000420325559 319610368 /nfs/dbraw/zinc/61/03/68/319610368.db2.gz IUTFOFBSXVHTEB-MMTROXRISA-N 2 0 349.519 1.996 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CC2([C@@H](O)C(C)C)CC2)CC[NH2+]CC1 ZINC000423014609 319745928 /nfs/dbraw/zinc/74/59/28/319745928.db2.gz JATZZKPLZWXVMP-GJZGRUSLSA-N 2 0 326.481 1.695 20 0 EDADRP C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1ccccn1)[C@@H]1CCC[NH2+]C1 ZINC000423762558 319812213 /nfs/dbraw/zinc/81/22/13/319812213.db2.gz SRUCRCMZWHNDQH-DLBZAZTESA-N 2 0 332.492 1.998 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1)c1ccc(F)cc1 ZINC000279029767 443494285 /nfs/dbraw/zinc/49/42/85/443494285.db2.gz PNMTUJNVBYIQJH-CXAGYDPISA-N 2 0 345.422 1.658 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000267764393 443570053 /nfs/dbraw/zinc/57/00/53/443570053.db2.gz KIKPRKWHGKVFPA-QGZVFWFLSA-N 2 0 344.459 1.036 20 0 EDADRP CN(CC(=O)Nc1ccccc1)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433136551 319971001 /nfs/dbraw/zinc/97/10/01/319971001.db2.gz XSWRSQDSPNENKI-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP CO[C@@H](C)c1nc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)cs1 ZINC000433151667 319972331 /nfs/dbraw/zinc/97/23/31/319972331.db2.gz JBOKSWVOHGMDSE-LBPRGKRZSA-N 2 0 340.493 1.670 20 0 EDADRP COc1ccccc1O[C@H](C)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155898 319972814 /nfs/dbraw/zinc/97/28/14/319972814.db2.gz ZXDIQRJFARPOEN-OAHLLOKOSA-N 2 0 349.475 1.782 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000433884878 319988292 /nfs/dbraw/zinc/98/82/92/319988292.db2.gz WUUXJBBORLBNQK-OAHLLOKOSA-N 2 0 325.478 1.463 20 0 EDADRP C[C@H](C(=O)N1CCC(OCC[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000439408311 320046882 /nfs/dbraw/zinc/04/68/82/320046882.db2.gz JUJLQMFVCREKQW-OWCLPIDISA-N 2 0 325.497 1.817 20 0 EDADRP C[C@@H]1CSC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000449216287 320179011 /nfs/dbraw/zinc/17/90/11/320179011.db2.gz RBXLFHYCVNEBBN-PVAVHDDUSA-N 2 0 335.517 1.617 20 0 EDADRP COC(=O)Cn1cc(CN2CCC(Oc3ccncc3C)CC2)nn1 ZINC000449287992 320181977 /nfs/dbraw/zinc/18/19/77/320181977.db2.gz LVQCBKYSHZZAIF-UHFFFAOYSA-N 2 0 345.403 1.198 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)c2cccc(N3CC[NH+](C)CC3)n2)CC1 ZINC000456520195 320308875 /nfs/dbraw/zinc/30/88/75/320308875.db2.gz AXTAVNMJUYIDDR-INIZCTEOSA-N 2 0 345.491 1.390 20 0 EDADRP C[N@H+](CCCCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CC1 ZINC000457168833 320321599 /nfs/dbraw/zinc/32/15/99/320321599.db2.gz NYSLQXPZCONLPJ-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP CCC(C)(C)OCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000457501621 320328519 /nfs/dbraw/zinc/32/85/19/320328519.db2.gz JLPRIAQWDRCSML-UHFFFAOYSA-N 2 0 348.491 1.915 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000458784298 320341109 /nfs/dbraw/zinc/34/11/09/320341109.db2.gz ILULQQJWOYXFJW-OAHLLOKOSA-N 2 0 342.553 1.940 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)NCCCCC[NH+]1CCCC1 ZINC000458858229 320343447 /nfs/dbraw/zinc/34/34/47/320343447.db2.gz TVSGWMOZFSKLRF-IAGOWNOFSA-N 2 0 340.512 1.349 20 0 EDADRP C[C@@H]1C[C@H]1[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H](C)C1 ZINC000488157980 320357615 /nfs/dbraw/zinc/35/76/15/320357615.db2.gz FXEBUPUGQXVELS-HDMKZQKVSA-N 2 0 334.508 1.985 20 0 EDADRP C[C@H]1C[NH+](CCCCNC(=O)c2conc2C(C)(C)[NH3+])C[C@H](C)O1 ZINC000516783980 320441410 /nfs/dbraw/zinc/44/14/10/320441410.db2.gz HJZDXBPPGHIGNH-STQMWFEESA-N 2 0 338.452 1.488 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2c[nH]c3nccnc23)CC1 ZINC000290972815 443723965 /nfs/dbraw/zinc/72/39/65/443723965.db2.gz XPUVZJIAQMTGJO-JKSUJKDBSA-N 2 0 329.448 1.815 20 0 EDADRP CN(CCCCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000276549000 443742980 /nfs/dbraw/zinc/74/29/80/443742980.db2.gz YEENDVATWNEUNY-UHFFFAOYSA-N 2 0 349.479 1.008 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000283857782 443744250 /nfs/dbraw/zinc/74/42/50/443744250.db2.gz GBZZGJVVPOCKLX-YOEHRIQHSA-N 2 0 346.475 1.004 20 0 EDADRP CN(CCC[N@H+](C)CC(=O)N(C)Cc1cccs1)CC[NH+](C)C ZINC000298343266 443750392 /nfs/dbraw/zinc/75/03/92/443750392.db2.gz BLNVAUJFGNXHBU-UHFFFAOYSA-N 2 0 340.537 1.522 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000276615990 443766588 /nfs/dbraw/zinc/76/65/88/443766588.db2.gz IDABESTZWXTBAK-BMGDILEWSA-N 2 0 331.460 1.258 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000529913878 320601193 /nfs/dbraw/zinc/60/11/93/320601193.db2.gz OUSHKHDBCBTQKH-ZACQAIPSSA-N 2 0 337.508 1.961 20 0 EDADRP CCNC(=O)[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000292757874 443836299 /nfs/dbraw/zinc/83/62/99/443836299.db2.gz BQQGLNWXJMMOEQ-WMZOPIPTSA-N 2 0 348.491 1.156 20 0 EDADRP CNC(=O)C[C@H](C)[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000298714182 443846540 /nfs/dbraw/zinc/84/65/40/443846540.db2.gz WJCGFYXPGPRSQD-SFHVURJKSA-N 2 0 346.519 1.699 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc(-c2ccccn2)s1 ZINC000530881365 320642280 /nfs/dbraw/zinc/64/22/80/320642280.db2.gz ZFLGWNNOUSNWGA-UHFFFAOYSA-N 2 0 347.488 1.771 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CC[C@H]([NH+]3CCCC3)C2)CCSC1 ZINC000530895396 320642535 /nfs/dbraw/zinc/64/25/35/320642535.db2.gz IEJWMLOQQLECLB-HOCLYGCPSA-N 2 0 326.510 1.303 20 0 EDADRP COC1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCOCC1 ZINC000276980169 443883293 /nfs/dbraw/zinc/88/32/93/443883293.db2.gz GQMRPWRRONSTOC-LJQANCHMSA-N 2 0 348.487 1.929 20 0 EDADRP C[C@@H]1C[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000292913907 443877531 /nfs/dbraw/zinc/87/75/31/443877531.db2.gz FOPHEHJXNPAOPA-MOXGXCLJSA-N 2 0 329.488 1.620 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)CC(=O)NC1CC1 ZINC000285242606 443909298 /nfs/dbraw/zinc/90/92/98/443909298.db2.gz AARMMZDOWLHCDN-UHFFFAOYSA-N 2 0 330.476 1.015 20 0 EDADRP Cc1nccn1CC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285255549 443914256 /nfs/dbraw/zinc/91/42/56/443914256.db2.gz AXBSCBYZHYTTQD-UHFFFAOYSA-N 2 0 341.503 1.941 20 0 EDADRP COC(=O)[C@@H]1C[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1C ZINC000285284938 443927268 /nfs/dbraw/zinc/92/72/68/443927268.db2.gz KSSBHOYQWMIXLI-IEBWSBKVSA-N 2 0 345.487 1.940 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]([NH+](C)C)CC2)ccn1 ZINC000277379720 443971277 /nfs/dbraw/zinc/97/12/77/443971277.db2.gz WELSOADYCLHDHW-MRXNPFEDSA-N 2 0 334.464 1.578 20 0 EDADRP COCCCn1nccc1CNc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000549250793 320904986 /nfs/dbraw/zinc/90/49/86/320904986.db2.gz JVCJHVKGKUAKKU-UHFFFAOYSA-N 2 0 344.463 1.679 20 0 EDADRP CC[NH+](CC)CC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299535967 444072178 /nfs/dbraw/zinc/07/21/78/444072178.db2.gz HVKHRWPQDUKUBM-UHFFFAOYSA-N 3 0 333.480 1.052 20 0 EDADRP COCCc1ccc(OC[C@@H](O)CN2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000293590773 444063005 /nfs/dbraw/zinc/06/30/05/444063005.db2.gz OJFOUMICLABAFI-AZUAARDMSA-N 2 0 348.487 1.643 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000561223815 321037519 /nfs/dbraw/zinc/03/75/19/321037519.db2.gz GIBFGJNHNXMLGU-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000562819886 321079123 /nfs/dbraw/zinc/07/91/23/321079123.db2.gz ZQGNVZYOKUZPKJ-JSSFPYSZSA-N 2 0 348.466 1.898 20 0 EDADRP O=C(C[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3)N1CC[NH2+]CC1 ZINC000562956175 321083120 /nfs/dbraw/zinc/08/31/20/321083120.db2.gz KNETWCGKVAUWFX-QGZVFWFLSA-N 2 0 329.444 1.410 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000563092181 321094855 /nfs/dbraw/zinc/09/48/55/321094855.db2.gz IENRTOOCAITERG-INIZCTEOSA-N 2 0 332.448 1.042 20 0 EDADRP COc1c(O)cccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000563370181 321106257 /nfs/dbraw/zinc/10/62/57/321106257.db2.gz STGXTANVRDTXAF-UHFFFAOYSA-N 2 0 349.475 1.287 20 0 EDADRP Cn1ccnc1[C@H](NC[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000564386089 321128358 /nfs/dbraw/zinc/12/83/58/321128358.db2.gz ZEGLHAPUSBQIMD-DLBZAZTESA-N 2 0 332.423 1.693 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](O)CC(C)(C)C2)CC1 ZINC000564777082 321147094 /nfs/dbraw/zinc/14/70/94/321147094.db2.gz FCIYBBLZCAVLKW-MRXNPFEDSA-N 2 0 325.497 1.458 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000564824069 321150163 /nfs/dbraw/zinc/15/01/63/321150163.db2.gz SUSTWGKRGNYOJX-IAGOWNOFSA-N 2 0 345.491 1.370 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000564827516 321150850 /nfs/dbraw/zinc/15/08/50/321150850.db2.gz QKYMDTLNWJSIIO-QCEMKRCNSA-N 2 0 337.489 1.633 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000565039727 321165423 /nfs/dbraw/zinc/16/54/23/321165423.db2.gz BSGNMMWHEXOXDM-CRAIPNDOSA-N 2 0 330.476 1.761 20 0 EDADRP COc1ccc(CC[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000565653198 321194942 /nfs/dbraw/zinc/19/49/42/321194942.db2.gz CVBJRILPYLVQTJ-HNNXBMFYSA-N 2 0 341.883 1.089 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@@H](C)c1nc2ccccc2s1 ZINC000566087962 321214098 /nfs/dbraw/zinc/21/40/98/321214098.db2.gz HZXGOUKPVBAXBK-CHWSQXEVSA-N 2 0 332.473 1.810 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CC34CC[NH2+]CC4)C2)CC1 ZINC000566190322 321221864 /nfs/dbraw/zinc/22/18/64/321221864.db2.gz PLDZYWIPMZGCLK-IAGOWNOFSA-N 2 0 334.508 1.003 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCCC[C@@H]1CNC(=O)c1ccccc1 ZINC000567120656 321241552 /nfs/dbraw/zinc/24/15/52/321241552.db2.gz IKKRFIMDJMZOMA-MSOLQXFVSA-N 2 0 333.476 1.584 20 0 EDADRP CC[N@H+](C)C[C@H](O)CNC1(c2cccc(OC)c2F)CCOCC1 ZINC000567121122 321241707 /nfs/dbraw/zinc/24/17/07/321241707.db2.gz ZTMPPSQUEMKMOX-CQSZACIVSA-N 2 0 340.439 1.742 20 0 EDADRP C[C@H]1CC2(C[N@@H+]1CCc1nnnn1-c1ccccc1)CC[NH2+]CC2 ZINC000567663210 321251985 /nfs/dbraw/zinc/25/19/85/321251985.db2.gz HTSRATODQUXTSB-HNNXBMFYSA-N 2 0 326.448 1.669 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)N3CC[C@@H](C)[C@@H]3CO)CC2)CC1 ZINC000568205264 321280951 /nfs/dbraw/zinc/28/09/51/321280951.db2.gz IYWOGRHLFFQNEO-QAPCUYQASA-N 2 0 337.508 1.412 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)CC1 ZINC000568231011 321283577 /nfs/dbraw/zinc/28/35/77/321283577.db2.gz JNVGZSHMGDUEPE-UHFFFAOYSA-N 2 0 346.475 1.393 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NCC[C@@H]2CC[NH2+]C2)C1 ZINC000568288197 321286123 /nfs/dbraw/zinc/28/61/23/321286123.db2.gz XBUSLUJPFYPAGM-RBUKOAKNSA-N 2 0 344.503 1.944 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000569001237 321314296 /nfs/dbraw/zinc/31/42/96/321314296.db2.gz YXSWUWSKOHFYNB-LPHOPBHVSA-N 2 0 331.460 1.081 20 0 EDADRP O=C(CN1CCC[C@]2(CC[NH2+]C2)C1)NC[C@H]1COc2ccccc2O1 ZINC000569087219 321318062 /nfs/dbraw/zinc/31/80/62/321318062.db2.gz GZDKMDLDOIWBLK-HNAYVOBHSA-N 2 0 345.443 1.018 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000570549093 321347113 /nfs/dbraw/zinc/34/71/13/321347113.db2.gz BFIHXSNNVWKFKE-YRXWBPOGSA-N 2 0 342.487 1.806 20 0 EDADRP CC[NH2+]CCCNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000570563767 321347652 /nfs/dbraw/zinc/34/76/52/321347652.db2.gz ZBIIFLXYJLFPOX-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1)[C@H](C)[NH3+] ZINC000570570172 321348568 /nfs/dbraw/zinc/34/85/68/321348568.db2.gz RMDJAACJEKADJX-OLZOCXBDSA-N 2 0 333.480 1.566 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708586 321354924 /nfs/dbraw/zinc/35/49/24/321354924.db2.gz BOGZAYCRLVZVGS-KSZLIROESA-N 2 0 339.524 1.611 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000570941280 321365722 /nfs/dbraw/zinc/36/57/22/321365722.db2.gz UHZQTPDVKGJFFK-ZWKOTPCHSA-N 2 0 330.476 1.889 20 0 EDADRP COc1nccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000571273075 321382213 /nfs/dbraw/zinc/38/22/13/321382213.db2.gz QDWJJXXTZYYKIF-UHFFFAOYSA-N 2 0 333.480 1.525 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NCC2=CC[NH2+]CC2)CC1 ZINC000571651360 321395000 /nfs/dbraw/zinc/39/50/00/321395000.db2.gz DVSGOBJVDFCZQM-UHFFFAOYSA-N 2 0 343.475 1.870 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000571675028 321397007 /nfs/dbraw/zinc/39/70/07/321397007.db2.gz AJUKKMNSOFXHFK-KBPBESRZSA-N 2 0 341.839 1.339 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1ccc(C)cc1=O ZINC000278153699 444108186 /nfs/dbraw/zinc/10/81/86/444108186.db2.gz OPRBNUUGZLNWGB-QGZVFWFLSA-N 2 0 348.491 1.031 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)C[C@H](C[NH3+])OC ZINC000278159276 444109795 /nfs/dbraw/zinc/10/97/95/444109795.db2.gz BEEMVYITKUIORL-MRXNPFEDSA-N 2 0 337.464 1.387 20 0 EDADRP O=S(=O)(NC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)c1cccs1 ZINC000572138633 321417590 /nfs/dbraw/zinc/41/75/90/321417590.db2.gz GFHCMWWMVIJOBO-CYBMUJFWSA-N 2 0 343.518 1.490 20 0 EDADRP CO[C@](C)([C@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CC1 ZINC000572223113 321421230 /nfs/dbraw/zinc/42/12/30/321421230.db2.gz DCBNZEFURRKQEL-WMLDXEAASA-N 2 0 328.501 1.325 20 0 EDADRP CN(CCC[N@H+](C)C[C@@H](O)COCc1ccccc1)CC[NH+](C)C ZINC000289420159 444138353 /nfs/dbraw/zinc/13/83/53/444138353.db2.gz MPSIEYWYWIYTTE-LJQANCHMSA-N 2 0 337.508 1.379 20 0 EDADRP CN(CC[N@H+](C)Cc1c[nH]nc1-c1cccnc1)C1CC[NH+](C)CC1 ZINC000289464622 444151680 /nfs/dbraw/zinc/15/16/80/444151680.db2.gz OTXFRHKYXBGIKH-UHFFFAOYSA-N 2 0 342.491 1.930 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@@H](C[NH3+])OC)c1cccc(OC)c1 ZINC000278238094 444121599 /nfs/dbraw/zinc/12/15/99/444121599.db2.gz KXAXSGFATOZLEW-DLBZAZTESA-N 2 0 337.464 1.558 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cc(-c2ccccc2)nn1C ZINC000574629781 321493247 /nfs/dbraw/zinc/49/32/47/321493247.db2.gz VLEYXKLTZMDXRA-AWEZNQCLSA-N 2 0 327.432 1.170 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[N@H+](C)CC2)cc1 ZINC000289924925 444220006 /nfs/dbraw/zinc/22/00/06/444220006.db2.gz NYLMQMCJMUCFLC-INIZCTEOSA-N 2 0 348.447 1.048 20 0 EDADRP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)CN1CC[NH+](C)CC1 ZINC000576390410 321562160 /nfs/dbraw/zinc/56/21/60/321562160.db2.gz ICOWMJDNWCDNMT-ZWKOTPCHSA-N 2 0 349.519 1.775 20 0 EDADRP C[C@H](NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1)C(C)(C)C[NH+](C)C ZINC000304893329 444254161 /nfs/dbraw/zinc/25/41/61/444254161.db2.gz ROLBMHNLKHBEHP-HOTGVXAUSA-N 2 0 342.528 1.355 20 0 EDADRP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@H]1CO)[NH+]1CCCCCC1 ZINC000305144220 444260787 /nfs/dbraw/zinc/26/07/87/444260787.db2.gz XOOYFYLBRAUFLS-SJORKVTESA-N 2 0 325.497 1.604 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000290049165 444235448 /nfs/dbraw/zinc/23/54/48/444235448.db2.gz DYQJSZHACDBNIP-AEFFLSMTSA-N 2 0 345.491 1.084 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000290067652 444237821 /nfs/dbraw/zinc/23/78/21/444237821.db2.gz VWOJVOGEVCVEBR-UKRRQHHQSA-N 2 0 335.448 1.513 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000290067643 444238022 /nfs/dbraw/zinc/23/80/22/444238022.db2.gz VWOJVOGEVCVEBR-DZGCQCFKSA-N 2 0 335.448 1.513 20 0 EDADRP C[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)Oc1ccc(Cl)cc1 ZINC000577504258 321658966 /nfs/dbraw/zinc/65/89/66/321658966.db2.gz YSFJXOSGXSLMSN-GDBMZVCRSA-N 2 0 341.883 1.305 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@H+](C)CCCn1ccnc1 ZINC000290507240 444289403 /nfs/dbraw/zinc/28/94/03/444289403.db2.gz PJTZWFZWFCEEKQ-UHFFFAOYSA-N 2 0 332.452 1.284 20 0 EDADRP C[C@H](NC(=O)COC1(C)C[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000310426395 444291780 /nfs/dbraw/zinc/29/17/80/444291780.db2.gz PDONYXNHBNXGQC-DOTOQJQBSA-N 2 0 331.460 1.392 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CC2CCN(c3ccccc3)CC2)CC1 ZINC000578619505 321803329 /nfs/dbraw/zinc/80/33/29/321803329.db2.gz SRFVMTHWNSDWHB-HXUWFJFHSA-N 2 0 346.519 1.101 20 0 EDADRP C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C)c1cn[nH]c1 ZINC000340514921 444421411 /nfs/dbraw/zinc/42/14/11/444421411.db2.gz QKAXSMMTCQBCBH-YOEHRIQHSA-N 2 0 329.448 1.349 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CN[C@H](c1cn[nH]n1)c1ccc(F)cc1 ZINC000340523610 444423682 /nfs/dbraw/zinc/42/36/82/444423682.db2.gz GRSSHCCLRBLDCN-WBVHZDCISA-N 2 0 335.427 1.980 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H]1C[NH2+]Cc2ccccc21)[NH+]1CCN(C)CC1 ZINC000327069107 444380246 /nfs/dbraw/zinc/38/02/46/444380246.db2.gz KUASLJDWUFOLMP-RBUKOAKNSA-N 2 0 344.503 1.262 20 0 EDADRP CC(C)(C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)N1CC[NH2+]CC1 ZINC000327224088 444380936 /nfs/dbraw/zinc/38/09/36/444380936.db2.gz QMRCQLPJQICFSL-GOSISDBHSA-N 2 0 344.503 1.624 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)NCc2ccc(C[NH3+])cc2)C1 ZINC000579829335 321975053 /nfs/dbraw/zinc/97/50/53/321975053.db2.gz FOBOHIZIHKGJCW-GOSISDBHSA-N 2 0 348.491 1.788 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)n1 ZINC000579975910 321994858 /nfs/dbraw/zinc/99/48/58/321994858.db2.gz BASLMKPCJGKWCJ-UHFFFAOYSA-N 2 0 333.480 1.582 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000580069097 322004816 /nfs/dbraw/zinc/00/48/16/322004816.db2.gz JYSLWSFTXTVDPP-IAGOWNOFSA-N 2 0 330.476 1.890 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132432 322139970 /nfs/dbraw/zinc/13/99/70/322139970.db2.gz IOFWCICKXQTDCQ-QUCCMNQESA-N 2 0 344.503 1.481 20 0 EDADRP [NH3+][C@H](C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1)C1CCC1 ZINC000581188062 322146935 /nfs/dbraw/zinc/14/69/35/322146935.db2.gz NLTDRVWNQZBYIF-IBGZPJMESA-N 2 0 344.503 1.438 20 0 EDADRP O=S(=O)(c1cccs1)N1CC[C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)C1 ZINC000581304661 322161242 /nfs/dbraw/zinc/16/12/42/322161242.db2.gz WINVWPIWROPICU-KBPBESRZSA-N 2 0 343.518 1.490 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000581775035 322218927 /nfs/dbraw/zinc/21/89/27/322218927.db2.gz JPKAOOAHERBHKZ-OAHLLOKOSA-N 2 0 332.448 1.565 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)CC[NH+](C)CC1 ZINC000332304914 444509657 /nfs/dbraw/zinc/50/96/57/444509657.db2.gz LPSRFCOODCPOJD-ZNMIVQPWSA-N 2 0 340.537 1.583 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Cn1nc(C)cc1C ZINC000338085802 444512095 /nfs/dbraw/zinc/51/20/95/444512095.db2.gz CTTPTEVQOOEYLM-QGZVFWFLSA-N 2 0 335.496 1.374 20 0 EDADRP CC(C)[NH+](CCNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1)C(C)C ZINC000340881983 444556506 /nfs/dbraw/zinc/55/65/06/444556506.db2.gz CNOBCYGUTRLZRJ-QGZVFWFLSA-N 2 0 342.528 1.857 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H](O)C[C@H]2C)CC1 ZINC000340915216 444573968 /nfs/dbraw/zinc/57/39/68/444573968.db2.gz IHMDFSJCVVXZTL-APWZRJJASA-N 2 0 345.487 1.531 20 0 EDADRP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765730 444575104 /nfs/dbraw/zinc/57/51/04/444575104.db2.gz IUPGFDBPJMXSHL-NLYLCNNHSA-N 2 0 335.492 1.284 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@H](CO)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000340843706 444538198 /nfs/dbraw/zinc/53/81/98/444538198.db2.gz IDPOLYAHKHIMKV-IRXDYDNUSA-N 2 0 325.497 1.460 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](CCN2C(=O)c3ccccc3C2=O)CC1 ZINC000338320700 444630568 /nfs/dbraw/zinc/63/05/68/444630568.db2.gz ZIIWLKCOFCDWKP-UHFFFAOYSA-N 2 0 345.443 1.325 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000341000322 444624022 /nfs/dbraw/zinc/62/40/22/444624022.db2.gz YWMYUDCXOAAEAZ-RBUKOAKNSA-N 2 0 345.487 1.736 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343894621 444651656 /nfs/dbraw/zinc/65/16/56/444651656.db2.gz VEGKGVVATJPCFD-JKSUJKDBSA-N 2 0 339.480 1.252 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000341056893 444656029 /nfs/dbraw/zinc/65/60/29/444656029.db2.gz SISJSKUNSCAHNS-HNNXBMFYSA-N 2 0 332.492 1.725 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)CC1 ZINC000333416326 444665689 /nfs/dbraw/zinc/66/56/89/444665689.db2.gz RXRDECQELVVWGY-OBVSXPTNSA-N 2 0 335.492 1.652 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)C[C@@H]21 ZINC000333510754 444677233 /nfs/dbraw/zinc/67/72/33/444677233.db2.gz JBJCLKKLRVXKMN-VAFNWZARSA-N 2 0 346.519 1.909 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H](O)COC(C)(C)C)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000343876985 444640480 /nfs/dbraw/zinc/64/04/80/444640480.db2.gz WQQSEFCLCCANKM-ZACQAIPSSA-N 2 0 327.513 1.120 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[N@H+](CCOC)[C@@H](CC)C2)CC1 ZINC000341212203 444733039 /nfs/dbraw/zinc/73/30/39/444733039.db2.gz LSWJDUOOWDTLHB-KRWDZBQOSA-N 2 0 340.512 1.613 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000333890630 444710020 /nfs/dbraw/zinc/71/00/20/444710020.db2.gz YDCGZNATZZYLRO-LUXYFRNMSA-N 2 0 349.500 1.689 20 0 EDADRP CCN1C[C@H]([NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000343987067 444711366 /nfs/dbraw/zinc/71/13/66/444711366.db2.gz SDFIJPYTYRHNCF-HKUYNNGSSA-N 2 0 331.508 1.524 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCO1 ZINC000333921235 444718889 /nfs/dbraw/zinc/71/88/89/444718889.db2.gz QLMDDBLOLDQXCI-MRXNPFEDSA-N 2 0 338.496 1.544 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000342425609 444686527 /nfs/dbraw/zinc/68/65/27/444686527.db2.gz PHSFEJUFKSNMBM-KXBFYZLASA-N 2 0 345.487 1.457 20 0 EDADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)C[NH+](C)C)cc2)C[C@@H]1C ZINC000342427042 444687497 /nfs/dbraw/zinc/68/74/97/444687497.db2.gz TZLQNZBTOMTDFV-IRXDYDNUSA-N 2 0 347.503 1.874 20 0 EDADRP C[C@H](C(=O)NC1CCCCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344034561 444741797 /nfs/dbraw/zinc/74/17/97/444741797.db2.gz HCECFJPCNCKVBE-MRXNPFEDSA-N 2 0 326.529 1.639 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[NH2+]C[C@@H]2CCCO2)cc1 ZINC000344039050 444744858 /nfs/dbraw/zinc/74/48/58/444744858.db2.gz AVJRVTUSPUPULA-BZSNNMDCSA-N 2 0 347.459 1.026 20 0 EDADRP C[C@H](CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000341289092 444763557 /nfs/dbraw/zinc/76/35/57/444763557.db2.gz OQLKIYWXSUMTMH-GOSISDBHSA-N 2 0 346.519 1.903 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H](C3CC3)[NH+](C)C)cc2)CC1 ZINC000344074625 444767492 /nfs/dbraw/zinc/76/74/92/444767492.db2.gz ZXJJJTZCWJZASP-IBGZPJMESA-N 2 0 344.503 1.899 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342693714 444818626 /nfs/dbraw/zinc/81/86/26/444818626.db2.gz MSBOJHKRMGJOJK-QGZVFWFLSA-N 2 0 347.459 1.569 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H]2CCCN(S(C)(=O)=O)C2)C1 ZINC000336875006 444819989 /nfs/dbraw/zinc/81/99/89/444819989.db2.gz ZSHLVLVZKJNGFA-SJORKVTESA-N 2 0 343.537 1.322 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C(N)=O)c1 ZINC000344117690 444790320 /nfs/dbraw/zinc/79/03/20/444790320.db2.gz BSYLYQDVACQIQT-UHFFFAOYSA-N 2 0 332.492 1.635 20 0 EDADRP CCN1C[C@H](C)[C@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000344204916 444838550 /nfs/dbraw/zinc/83/85/50/444838550.db2.gz BHLAQWRVHRKRBE-ZWKOTPCHSA-N 2 0 346.523 1.309 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000338834898 444879072 /nfs/dbraw/zinc/87/90/72/444879072.db2.gz PKXYGRHINUDABG-OAHLLOKOSA-N 2 0 337.508 1.412 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)Nc1ccn(CC[NH+](C)C)n1)c1ccccc1 ZINC000344264656 444870016 /nfs/dbraw/zinc/87/00/16/444870016.db2.gz RILWIKMXAKALKW-GOSISDBHSA-N 2 0 343.475 2.466 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCN2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000337320529 445031743 /nfs/dbraw/zinc/03/17/43/445031743.db2.gz PEYLTSWAINDHOK-BZSNNMDCSA-N 2 0 327.513 1.434 20 0 EDADRP Cc1cc(CN2C[C@H](F)C[C@H]2CNc2ccnc(N(C)C)n2)on1 ZINC000342986931 444990673 /nfs/dbraw/zinc/99/06/73/444990673.db2.gz DFVFSRRKNNCLJQ-OLZOCXBDSA-N 2 0 334.399 1.864 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000343023554 445011198 /nfs/dbraw/zinc/01/11/98/445011198.db2.gz KCYGECSTSBMLIB-IIDMSEBBSA-N 2 0 340.512 1.070 20 0 EDADRP NC(=O)C[C@H]1CCCC[N@@H+]1C/C=C\C[NH+]1CCCC[C@H]1CC(N)=O ZINC000339137993 445052055 /nfs/dbraw/zinc/05/20/55/445052055.db2.gz YBKKOWSJJBNHTL-HNXFAEETSA-N 2 0 336.480 1.002 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000343087958 445052698 /nfs/dbraw/zinc/05/26/98/445052698.db2.gz KWJNYBDVXXUMFH-JLSDUUJJSA-N 2 0 331.460 1.067 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H](C)CC(N)=O)CC2)c1 ZINC000341886659 445053115 /nfs/dbraw/zinc/05/31/15/445053115.db2.gz CAGCPLBWWYGDTN-QGZVFWFLSA-N 2 0 332.492 1.751 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000339146328 445056639 /nfs/dbraw/zinc/05/66/39/445056639.db2.gz YTPHGXNVEOENBO-KRWDZBQOSA-N 2 0 345.418 1.955 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000337385049 445058055 /nfs/dbraw/zinc/05/80/55/445058055.db2.gz FKATYOBOPJKNLB-SZVBFZGTSA-N 2 0 348.491 1.434 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000341917884 445071920 /nfs/dbraw/zinc/07/19/20/445071920.db2.gz FPUSNUJTALZGSK-ZIFCJYIRSA-N 2 0 345.487 1.906 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000343177389 445118255 /nfs/dbraw/zinc/11/82/55/445118255.db2.gz KCFBQWAGEKAOJC-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)CC1 ZINC000343251234 445161942 /nfs/dbraw/zinc/16/19/42/445161942.db2.gz MDHCTNAXKAOSIL-OTWHNJEPSA-N 2 0 338.540 1.151 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000343220412 445146480 /nfs/dbraw/zinc/14/64/80/445146480.db2.gz SDRNCIDOKMXYMK-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCC[NH+]1CCC1)[NH+]1CCCC1 ZINC000337593221 445155423 /nfs/dbraw/zinc/15/54/23/445155423.db2.gz DRWUFTJINJPONQ-KRWDZBQOSA-N 2 0 346.475 1.837 20 0 EDADRP CC[NH+](CC)CC(=O)N1C[C@@H](C)N(C(=O)C[NH+](CC)CC)[C@H](C)C1 ZINC000337593602 445156450 /nfs/dbraw/zinc/15/64/50/445156450.db2.gz JGQPJOARQAYUJB-HZPDHXFCSA-N 2 0 340.512 1.118 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOCC1 ZINC000345739386 445197738 /nfs/dbraw/zinc/19/77/38/445197738.db2.gz JBYKUYZGORDXFN-KRWDZBQOSA-N 2 0 346.475 1.527 20 0 EDADRP C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193154 445233852 /nfs/dbraw/zinc/23/38/52/445233852.db2.gz JGGRWDWBDBUGBJ-IAGOWNOFSA-N 2 0 337.508 1.556 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H](C)C[NH+]1CCOCC1)[NH+]1CCC(C)CC1 ZINC000347703365 445245435 /nfs/dbraw/zinc/24/54/35/445245435.db2.gz PWFZFAXLUWKQPJ-ROUUACIJSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347702295 445245512 /nfs/dbraw/zinc/24/55/12/445245512.db2.gz MIYBQLQGPHCSBL-IXDOHACOSA-N 2 0 339.524 1.827 20 0 EDADRP CN(C[C@H](O)C[N@H+](C)C1CC1)C[C@@H]1CCC[NH+](C)[C@H]1c1cnn(C)c1 ZINC000351625805 445246850 /nfs/dbraw/zinc/24/68/50/445246850.db2.gz BRKSGXHUIPABST-ZYSHUDEJSA-N 2 0 349.523 1.190 20 0 EDADRP Cc1cnc(N[C@@H]2CCC[N@H+](C)[C@@H]2C)nc1N[C@H]1CCC[NH+](C)[C@@H]1C ZINC000343600368 445258714 /nfs/dbraw/zinc/25/87/14/445258714.db2.gz KCICFQZEFITBHL-WCXIOVBPSA-N 2 0 346.523 2.574 20 0 EDADRP C[NH+](C)C1(CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)CCCCCC1 ZINC000354705106 445345893 /nfs/dbraw/zinc/34/58/93/445345893.db2.gz FPWYOJAPYKNDPY-HNNXBMFYSA-N 2 0 338.496 1.016 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362520454 445421632 /nfs/dbraw/zinc/42/16/32/445421632.db2.gz QADCCTQBHHMEIK-UHFFFAOYSA-N 2 0 339.480 1.110 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000359721016 445392078 /nfs/dbraw/zinc/39/20/78/445392078.db2.gz IMKUSBBLJQABCN-OAHLLOKOSA-N 2 0 349.479 1.115 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000352073619 445473500 /nfs/dbraw/zinc/47/35/00/445473500.db2.gz HTBOWDSBQISTOP-OAHLLOKOSA-N 2 0 326.485 1.294 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH+](C)CCO)CC1)[N@H+](C)Cc1ccccc1 ZINC000355799454 445484595 /nfs/dbraw/zinc/48/45/95/445484595.db2.gz BUPWRSIJXYHLCJ-LJQANCHMSA-N 2 0 347.503 1.812 20 0 EDADRP CC[C@@H](CNC(=O)CCOC1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000349007918 445473785 /nfs/dbraw/zinc/47/37/85/445473785.db2.gz VQXKONSHFGKIER-KRWDZBQOSA-N 2 0 331.460 1.318 20 0 EDADRP C[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)[N@@H+]1CCCC[C@H]1C ZINC000354959133 445436294 /nfs/dbraw/zinc/43/62/94/445436294.db2.gz NSUAKHGPRDGZPM-CABCVRRESA-N 2 0 326.485 1.005 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000357280037 445522904 /nfs/dbraw/zinc/52/29/04/445522904.db2.gz YYZJBVSSPXSZER-RDJZCZTQSA-N 2 0 336.480 1.291 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)ccn2)CC1 ZINC000352094598 445489314 /nfs/dbraw/zinc/48/93/14/445489314.db2.gz CXZKXEBRIHQVFZ-IRXDYDNUSA-N 2 0 343.475 1.190 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000349061990 445492303 /nfs/dbraw/zinc/49/23/03/445492303.db2.gz ZOOVWQWTQHSDNR-SFHVURJKSA-N 2 0 336.524 1.536 20 0 EDADRP CN(CC[N@H+](C)Cc1ccc(-n2cncn2)cc1)C1CC[NH+](C)CC1 ZINC000349075017 445494968 /nfs/dbraw/zinc/49/49/68/445494968.db2.gz NVMXUGNQDKPHQM-UHFFFAOYSA-N 2 0 342.491 1.725 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@H](N2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000359939833 445497108 /nfs/dbraw/zinc/49/71/08/445497108.db2.gz OMEZBZPXAFQKLB-BRWVUGGUSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000352112065 445500311 /nfs/dbraw/zinc/50/03/11/445500311.db2.gz QCSHVHBDLNXKLB-ICSRJNTNSA-N 2 0 347.503 1.860 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N(C)C[C@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000358531468 445636909 /nfs/dbraw/zinc/63/69/09/445636909.db2.gz SPJMXHYSOMXFEI-OIISXLGYSA-N 2 0 333.480 1.666 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000357972052 445597084 /nfs/dbraw/zinc/59/70/84/445597084.db2.gz HTBYFDWVXJUIPB-UHFFFAOYSA-N 2 0 340.512 1.167 20 0 EDADRP CCC[NH+]1CCC([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)CC1 ZINC000360244853 445653195 /nfs/dbraw/zinc/65/31/95/445653195.db2.gz HOIPVTLPUYQQIR-UHFFFAOYSA-N 2 0 331.526 1.653 20 0 EDADRP CC(C)[N@H+](CCO)CC(=O)N1CCN([C@H](C)c2ccccc2)CC1 ZINC000356227609 445686632 /nfs/dbraw/zinc/68/66/32/445686632.db2.gz WFUKTJWETNLWJP-QGZVFWFLSA-N 2 0 333.476 1.595 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000356238049 445692183 /nfs/dbraw/zinc/69/21/83/445692183.db2.gz SDQVBMILLZFBAA-KRWDZBQOSA-N 2 0 342.528 1.717 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000349833343 445692904 /nfs/dbraw/zinc/69/29/04/445692904.db2.gz KXAJIOPALLZQJT-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000358678498 445711240 /nfs/dbraw/zinc/71/12/40/445711240.db2.gz GVIBWGFWXDEPEM-IBGZPJMESA-N 2 0 348.491 1.394 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CC[NH2+][C@@H](C)C3)cn2)CC1 ZINC000358688764 445718546 /nfs/dbraw/zinc/71/85/46/445718546.db2.gz SXZYVRGAPDLIPP-RDJZCZTQSA-N 2 0 345.491 1.228 20 0 EDADRP O=C(NCCCC[NH+]1CCCC1)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363476974 445820394 /nfs/dbraw/zinc/82/03/94/445820394.db2.gz OFFNSUJXAAFNQY-DLBZAZTESA-N 2 0 338.496 1.103 20 0 EDADRP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000361518795 445799491 /nfs/dbraw/zinc/79/94/91/445799491.db2.gz LCBVISUXAHZFIZ-KRWDZBQOSA-N 2 0 327.428 1.816 20 0 EDADRP Cn1cnc2c1CC[NH+](CCCCC[N@H+]1CCc3c(ncn3C)C1)C2 ZINC000363507574 445836771 /nfs/dbraw/zinc/83/67/71/445836771.db2.gz YIQVYJLHPGUUIZ-UHFFFAOYSA-N 2 0 342.491 1.740 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000353985647 445840601 /nfs/dbraw/zinc/84/06/01/445840601.db2.gz DGKPNVQZVWKJEX-WVDLQDBSSA-N 2 0 336.524 1.388 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000350627009 445862291 /nfs/dbraw/zinc/86/22/91/445862291.db2.gz PSPCRAUVWRDUMD-HNNXBMFYSA-N 2 0 340.512 1.022 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000350749796 445896506 /nfs/dbraw/zinc/89/65/06/445896506.db2.gz VZWPZFIFVNTVCL-OAHLLOKOSA-N 2 0 328.501 1.469 20 0 EDADRP CCc1ccccc1CN1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1 ZINC000372903313 445912694 /nfs/dbraw/zinc/91/26/94/445912694.db2.gz YMFOIRRAIJHSMR-SFHVURJKSA-N 2 0 336.501 1.990 20 0 EDADRP C[C@@H]1C[NH+](C(C)(C)CNc2cccc(-n3ccnc3)n2)C[C@@H](C)O1 ZINC000361795001 445952202 /nfs/dbraw/zinc/95/22/02/445952202.db2.gz AYMOWISPFAWJNS-HUUCEWRRSA-N 2 0 329.448 2.567 20 0 EDADRP C[NH+](C)[C@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000369198705 445988548 /nfs/dbraw/zinc/98/85/48/445988548.db2.gz YXEUOFVJFJTAOJ-ROUUACIJSA-N 2 0 345.491 1.639 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C ZINC000354224702 446021698 /nfs/dbraw/zinc/02/16/98/446021698.db2.gz OSZODRDVIDNDGK-MAUKXSAKSA-N 2 0 336.524 1.534 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1)Oc1cccc(Cl)c1 ZINC000582840762 325939901 /nfs/dbraw/zinc/93/99/01/325939901.db2.gz JYOKWZGYGPKUTI-ZBFHGGJFSA-N 2 0 341.883 1.305 20 0 EDADRP COc1cc(C)c(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c(C)n1 ZINC000359221440 446051453 /nfs/dbraw/zinc/05/14/53/446051453.db2.gz GQMNJUZPRDUCNR-UHFFFAOYSA-N 2 0 348.491 1.597 20 0 EDADRP CC1CC[NH+](C2CCC([NH2+]C[C@H](O)CN3CCOCC3)CC2)CC1 ZINC000583258407 326035679 /nfs/dbraw/zinc/03/56/79/326035679.db2.gz LIVNCCYFXXIXBJ-ACBHZAAOSA-N 2 0 339.524 1.312 20 0 EDADRP C[C@@]1(F)CNCCN(C(=O)C[C@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000583692982 326120433 /nfs/dbraw/zinc/12/04/33/326120433.db2.gz SGKNTFCVJZJRES-PKOBYXMFSA-N 2 0 349.450 1.438 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CCC[NH2+]1 ZINC000583945667 326171881 /nfs/dbraw/zinc/17/18/81/326171881.db2.gz CHGQDLFTULQSJB-RDJZCZTQSA-N 2 0 326.485 1.175 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000584100391 326198796 /nfs/dbraw/zinc/19/87/96/326198796.db2.gz YOYBKRRCCPACKA-HNNXBMFYSA-N 2 0 331.382 1.403 20 0 EDADRP CN(C(=O)C1CC[NH+](C2CC2)CC1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369647191 446139085 /nfs/dbraw/zinc/13/90/85/446139085.db2.gz IWBZDEVWEVCHQN-IBGZPJMESA-N 2 0 348.535 1.488 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)C(=O)NCC[NH+](C)[C@H](C)CC)C1 ZINC000359257054 446092480 /nfs/dbraw/zinc/09/24/80/446092480.db2.gz AWCLGXMIUHHDKE-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)N(C)[C@H]1CC[NH+](CC)[C@@H](C)C1 ZINC000359284514 446119762 /nfs/dbraw/zinc/11/97/62/446119762.db2.gz HBUVZPWVUOMYFA-JYJNAYRXSA-N 2 0 340.512 1.164 20 0 EDADRP CCOC(=O)c1coc(C[NH2+]CC2CC[NH+](CCN(C)C)CC2)c1 ZINC000354335208 446120211 /nfs/dbraw/zinc/12/02/11/446120211.db2.gz QMIJDPRNDXRTKH-UHFFFAOYSA-N 2 0 337.464 1.820 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000351564588 446162539 /nfs/dbraw/zinc/16/25/39/446162539.db2.gz SVPLBUKYORFVKB-GDBMZVCRSA-N 2 0 337.489 1.605 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000354407861 446184340 /nfs/dbraw/zinc/18/43/40/446184340.db2.gz KTTGFVAYQFNHCT-MSOLQXFVSA-N 2 0 338.540 1.639 20 0 EDADRP O=C(c1ccc(C[NH+]2CCSCC2)cc1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359395585 446197944 /nfs/dbraw/zinc/19/79/44/446197944.db2.gz SPBHGSWGGKSZGG-IRXDYDNUSA-N 2 0 331.485 1.527 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359423515 446215584 /nfs/dbraw/zinc/21/55/84/446215584.db2.gz LMPQVNJDXBFWBV-ROUUACIJSA-N 2 0 342.487 1.267 20 0 EDADRP CS(=O)(=O)N1CC[C@@H](CN2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290518 446216390 /nfs/dbraw/zinc/21/63/90/446216390.db2.gz VQBFBHFYPAVOMJ-IRXDYDNUSA-N 2 0 343.537 1.466 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cc2)[nH]1 ZINC000365557269 446254032 /nfs/dbraw/zinc/25/40/32/446254032.db2.gz NTKRYDXYKZETAT-GFCCVEGCSA-N 2 0 328.420 1.649 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000365564101 446255968 /nfs/dbraw/zinc/25/59/68/446255968.db2.gz DUPXOGHKCWAOMJ-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)CC1 ZINC000366563716 446263466 /nfs/dbraw/zinc/26/34/66/446263466.db2.gz FCVPMGXSBBWIKC-IEBWSBKVSA-N 2 0 342.487 1.653 20 0 EDADRP CSC1(C[NH+]2CCN(C[C@H]3C[N@@H+](C(C)C)CCO3)CC2)CCC1 ZINC000365611472 446273308 /nfs/dbraw/zinc/27/33/08/446273308.db2.gz IJBSQMWSDFXKLI-KRWDZBQOSA-N 2 0 341.565 1.999 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000365664848 446292966 /nfs/dbraw/zinc/29/29/66/446292966.db2.gz RNFQTISLSRIJKQ-KRWDZBQOSA-N 2 0 330.492 1.199 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)CCCO1 ZINC000370489703 446302806 /nfs/dbraw/zinc/30/28/06/446302806.db2.gz CIBYDJJGXVLNDG-IXDOHACOSA-N 2 0 338.496 1.413 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365713121 446311464 /nfs/dbraw/zinc/31/14/64/446311464.db2.gz QPGWTHAFRWRPCW-UKPHBRMFSA-N 2 0 339.867 1.813 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)[C@@H]1Oc1ccccc1 ZINC000359632312 446328567 /nfs/dbraw/zinc/32/85/67/446328567.db2.gz BDGZATJYXAONIO-MDNKFWRPSA-N 2 0 347.503 1.837 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)[NH+](C)C)cc1 ZINC000417311178 446343233 /nfs/dbraw/zinc/34/32/33/446343233.db2.gz LLFNMMIQYJIJCB-UONOGXRCSA-N 2 0 328.407 1.879 20 0 EDADRP CS[C@@H]1CN(C(=O)C2([NH+](C)C)Cc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000370614183 446358979 /nfs/dbraw/zinc/35/89/79/446358979.db2.gz LKMAXQIDBAAIHU-IAGOWNOFSA-N 2 0 347.528 1.590 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])c1ccccc1 ZINC000417515934 446359078 /nfs/dbraw/zinc/35/90/78/446359078.db2.gz MGOIDYVLVIIWRP-RDJZCZTQSA-N 2 0 336.480 1.685 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000370633894 446365454 /nfs/dbraw/zinc/36/54/54/446365454.db2.gz JFPGGONDVUIIJS-KCYZZUKISA-N 2 0 330.476 1.683 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000365851896 446370898 /nfs/dbraw/zinc/37/08/98/446370898.db2.gz XIZHTRMCTDEOGJ-MJGOQNOKSA-N 2 0 331.460 1.252 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417885545 446376563 /nfs/dbraw/zinc/37/65/63/446376563.db2.gz GWZBRHFDIYFDCA-YQQAZPJKSA-N 2 0 330.476 1.886 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000417929258 446388753 /nfs/dbraw/zinc/38/87/53/446388753.db2.gz ILFVHTUOSMLYRS-HOCLYGCPSA-N 2 0 334.439 1.638 20 0 EDADRP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCN1CC[NH2+]CC1 ZINC000423205379 446453383 /nfs/dbraw/zinc/45/33/83/446453383.db2.gz PLPGKLNHIDERJU-SFHVURJKSA-N 2 0 325.460 1.745 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C)nn2C)CC1 ZINC000418067725 446430141 /nfs/dbraw/zinc/43/01/41/446430141.db2.gz NFNVMRRBXAYSKF-UHFFFAOYSA-N 2 0 349.523 1.789 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000374880137 446431621 /nfs/dbraw/zinc/43/16/21/446431621.db2.gz KUHAGWCPPMNVDF-BZUAXINKSA-N 2 0 337.464 1.483 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC(C)(C)C[NH3+])cc2)CC1 ZINC000418188393 446452484 /nfs/dbraw/zinc/45/24/84/446452484.db2.gz UGDBOQJGAGIQKL-UHFFFAOYSA-N 2 0 334.464 1.696 20 0 EDADRP CN1CCN(C(=O)CC[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000366977001 446440228 /nfs/dbraw/zinc/44/02/28/446440228.db2.gz QKMQMMOKQDZOOC-QGZVFWFLSA-N 2 0 348.535 1.347 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H](C(=O)N(C)CC)C(C)C)CC[NH2+]CC1 ZINC000423159440 446442224 /nfs/dbraw/zinc/44/22/24/446442224.db2.gz PKAWDVUJOIGUET-GJZGRUSLSA-N 2 0 341.496 1.400 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000417961167 446401946 /nfs/dbraw/zinc/40/19/46/446401946.db2.gz AUHNZFGMBVOIMF-UHFFFAOYSA-N 2 0 331.464 1.739 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@H](C)C[NH3+])CC2)cc1 ZINC000420285674 446451345 /nfs/dbraw/zinc/45/13/45/446451345.db2.gz FLWOMBCAHUJCKA-QGZVFWFLSA-N 2 0 332.492 1.308 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000370731350 446407482 /nfs/dbraw/zinc/40/74/82/446407482.db2.gz WALAHSLRHCQQQO-OIISXLGYSA-N 2 0 336.480 1.118 20 0 EDADRP C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418009376 446414554 /nfs/dbraw/zinc/41/45/54/446414554.db2.gz PALCVMKLJVKLBW-WBAXXEDZSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000625571115 450431622 /nfs/dbraw/zinc/43/16/22/450431622.db2.gz RBBBCJITCVKZOZ-YTQUADARSA-N 2 0 344.503 1.084 20 0 EDADRP COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)N2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420307830 446469194 /nfs/dbraw/zinc/46/91/94/446469194.db2.gz MTFZZZNQJRESSJ-XUXIUFHCSA-N 2 0 333.432 1.658 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000420306186 446470498 /nfs/dbraw/zinc/47/04/98/446470498.db2.gz AAISTPXVCDOAAL-LPHOPBHVSA-N 3 0 349.519 1.762 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423274040 446470923 /nfs/dbraw/zinc/47/09/23/446470923.db2.gz LPMOSWZSRKGTFJ-LSDHHAIUSA-N 2 0 339.505 1.991 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418245949 446471867 /nfs/dbraw/zinc/47/18/67/446471867.db2.gz YOYFMWNAVYQPFD-KRWDZBQOSA-N 2 0 339.528 1.091 20 0 EDADRP COC(=O)c1ccc(NC(=O)CN2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420309237 446472216 /nfs/dbraw/zinc/47/22/16/446472216.db2.gz DQVJTYXHSAXEAL-MRXNPFEDSA-N 2 0 345.443 1.733 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000420312185 446474971 /nfs/dbraw/zinc/47/49/71/446474971.db2.gz RTAOYQOHGHCFAJ-WWGRRREGSA-N 2 0 333.432 1.147 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(CCN(Cc2ccccc2)S(C)(=O)=O)C1 ZINC000420311341 446475808 /nfs/dbraw/zinc/47/58/08/446475808.db2.gz QXRUMDXOFNKYEP-GOEBONIOSA-N 2 0 325.478 1.117 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418190876 446453510 /nfs/dbraw/zinc/45/35/10/446453510.db2.gz KAGJUROGHLKRLV-HOCLYGCPSA-N 2 0 349.479 1.339 20 0 EDADRP C[C@@H](C(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000432545416 446482837 /nfs/dbraw/zinc/48/28/37/446482837.db2.gz ILEFWZUAFPSOSA-NXOAAHMSSA-N 2 0 325.497 1.865 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418289688 446485952 /nfs/dbraw/zinc/48/59/52/446485952.db2.gz YIJNWASNCRQJLM-MRXNPFEDSA-N 2 0 340.512 1.790 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)COC2CC[NH2+]CC2)c1 ZINC000423317696 446486791 /nfs/dbraw/zinc/48/67/91/446486791.db2.gz CYEKRHHVTKHLFN-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP CCN(C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)c1ccccc1 ZINC000420323665 446489323 /nfs/dbraw/zinc/48/93/23/446489323.db2.gz GPXWMBGRSUXJSA-MJGOQNOKSA-N 2 0 331.460 1.868 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)C1 ZINC000423338816 446494225 /nfs/dbraw/zinc/49/42/25/446494225.db2.gz UYZWURZDMHZVIC-HNNXBMFYSA-N 2 0 336.484 1.259 20 0 EDADRP C[C@@H](CNC(=O)[C@@H](N)c1cscn1)N1CCc2sccc2C1 ZINC000423340146 446494271 /nfs/dbraw/zinc/49/42/71/446494271.db2.gz XCWRXQJKHPQONG-HZMBPMFUSA-N 2 0 336.486 1.767 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)NCc1ccc2c(c1)OCO2 ZINC000420339510 446509279 /nfs/dbraw/zinc/50/92/79/446509279.db2.gz LXHJTXJQHCMGNR-HOTGVXAUSA-N 2 0 345.443 1.353 20 0 EDADRP CCOC(=O)[C@@H]1CCCCN1C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000420328735 446497901 /nfs/dbraw/zinc/49/79/01/446497901.db2.gz FNKVHUAGXGEVKO-HNNXBMFYSA-N 2 0 337.464 1.006 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)N[C@H]1CCOc2ccccc21 ZINC000420331506 446500264 /nfs/dbraw/zinc/50/02/64/446500264.db2.gz CBUCBLWURDVLEV-RYRKJORJSA-N 2 0 343.471 1.948 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000418477617 446558456 /nfs/dbraw/zinc/55/84/56/446558456.db2.gz YHDMUGUPQRDUQW-HUUCEWRRSA-N 2 0 326.485 1.399 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCCO[C@H](C[NH3+])C1)c1ccc2ccccc2c1 ZINC000418501415 446568473 /nfs/dbraw/zinc/56/84/73/446568473.db2.gz QUNTWEBXHUAYEI-MSOLQXFVSA-N 2 0 342.443 1.599 20 0 EDADRP O=C(CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1)N1CC[NH2+]CC1 ZINC000420391288 446566127 /nfs/dbraw/zinc/56/61/27/446566127.db2.gz ANZNZXLRRUTASF-DOTOQJQBSA-N 2 0 337.851 1.582 20 0 EDADRP O=C(NC[C@H]1CCC[NH2+]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418368102 446516798 /nfs/dbraw/zinc/51/67/98/446516798.db2.gz MABSALWJULRGOE-FGTMMUONSA-N 2 0 328.460 1.512 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CC[NH2+]CC1 ZINC000423405963 446520013 /nfs/dbraw/zinc/52/00/13/446520013.db2.gz ZTPWRWKUMJTYLV-FPCVCCKLSA-N 2 0 348.457 1.723 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CCCCC1 ZINC000418377698 446520576 /nfs/dbraw/zinc/52/05/76/446520576.db2.gz JFOAWEMBQDJGGC-CVEARBPZSA-N 2 0 326.485 1.040 20 0 EDADRP Cc1ccccc1CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420348267 446523984 /nfs/dbraw/zinc/52/39/84/446523984.db2.gz KKVBUYVPNNBQTP-MJGOQNOKSA-N 2 0 344.503 1.022 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418497506 446567001 /nfs/dbraw/zinc/56/70/01/446567001.db2.gz KKBJIICKKFATGG-PKOBYXMFSA-N 2 0 346.475 1.002 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000411414742 446530316 /nfs/dbraw/zinc/53/03/16/446530316.db2.gz BYDJDRPXHZIYTD-SFHVURJKSA-N 2 0 348.466 1.500 20 0 EDADRP C[N@H+](CCC(=O)Nc1cccc(Br)c1)C[C@@H](O)C[NH3+] ZINC000420352033 446531814 /nfs/dbraw/zinc/53/18/14/446531814.db2.gz LPFDAKSAWTTYOS-LBPRGKRZSA-N 2 0 330.226 1.029 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1C(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000423427540 446532348 /nfs/dbraw/zinc/53/23/48/446532348.db2.gz FWOKTLDRTUTXHX-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2cn(CCC[NH3+])nn2)C[N@@H+]1Cc1ccccc1 ZINC000423434987 446536150 /nfs/dbraw/zinc/53/61/50/446536150.db2.gz KZIUAIJSNHUNLW-HOCLYGCPSA-N 2 0 342.447 1.020 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153596 446538424 /nfs/dbraw/zinc/53/84/24/446538424.db2.gz WRLHIGCQZRSRMN-SFHVURJKSA-N 3 0 338.540 1.961 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000418430578 446539988 /nfs/dbraw/zinc/53/99/88/446539988.db2.gz PHPIXMPLJAQHJA-QGZVFWFLSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1CC[C@H]([NH3+])[C@@H]1C ZINC000420362884 446542241 /nfs/dbraw/zinc/54/22/41/446542241.db2.gz ZQLSLNHOOOGCDS-BXWFABGCSA-N 2 0 344.503 1.577 20 0 EDADRP CC(C)[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H](C)[NH3+] ZINC000423452972 446544026 /nfs/dbraw/zinc/54/40/26/446544026.db2.gz ZTMUYCDDQJEWTI-BEFAXECRSA-N 2 0 347.503 1.879 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000423475245 446550397 /nfs/dbraw/zinc/55/03/97/446550397.db2.gz ZVLMPNAMSOWJEW-GUTXKFCHSA-N 2 0 325.478 1.763 20 0 EDADRP C[C@H]1C[C@H]([NH2+]CCn2cc(Br)ccc2=O)CC[N@@H+]1C ZINC000453258487 446552098 /nfs/dbraw/zinc/55/20/98/446552098.db2.gz WGGJAOPQQTVZBF-WCQYABFASA-N 2 0 328.254 1.683 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)N2CCC(OCC[NH+](C)C)CC2)cc1 ZINC000418466370 446555463 /nfs/dbraw/zinc/55/54/63/446555463.db2.gz REFUTKWLBZZCTG-HNNXBMFYSA-N 2 0 348.491 1.959 20 0 EDADRP CC(C)N(C(=O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)C(C)C ZINC000420380904 446556192 /nfs/dbraw/zinc/55/61/92/446556192.db2.gz OPGRPVLVVVXYFX-AEFFLSMTSA-N 2 0 325.497 1.850 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000433342444 446556083 /nfs/dbraw/zinc/55/60/83/446556083.db2.gz WIEHMIUZLPINFG-UHFFFAOYSA-N 2 0 347.463 1.149 20 0 EDADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)C[NH+]1CCCC1 ZINC000433334857 446556474 /nfs/dbraw/zinc/55/64/74/446556474.db2.gz NAJLZOHOJFGDNZ-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418607029 446612994 /nfs/dbraw/zinc/61/29/94/446612994.db2.gz ZXHHTWSRYVRYJD-WMLDXEAASA-N 2 0 336.455 1.897 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000418511030 446573729 /nfs/dbraw/zinc/57/37/29/446573729.db2.gz DBHLIGLTOBNVTR-ZDUSSCGKSA-N 2 0 340.418 1.648 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CC[NH+](C3CCC3)CC2)CCCO1 ZINC000433462866 446577565 /nfs/dbraw/zinc/57/75/65/446577565.db2.gz MKEITIZRRBLSMQ-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000418530974 446583910 /nfs/dbraw/zinc/58/39/10/446583910.db2.gz VVMLDURHFWNCLU-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000418563267 446595178 /nfs/dbraw/zinc/59/51/78/446595178.db2.gz SEBPWUVFRPTFIY-QGZVFWFLSA-N 2 0 347.507 1.183 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418576457 446601184 /nfs/dbraw/zinc/60/11/84/446601184.db2.gz XVISJFSJERMPQN-FFSVYQOJSA-N 2 0 340.418 1.708 20 0 EDADRP COCCCC(=O)NCCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000371085965 446619783 /nfs/dbraw/zinc/61/97/83/446619783.db2.gz JSPFTCIYMPCEJJ-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](CNC(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000418739244 446662641 /nfs/dbraw/zinc/66/26/41/446662641.db2.gz ZZGWKMSYNJDUTI-LBZRDPAVSA-N 2 0 334.508 1.957 20 0 EDADRP C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)C1 ZINC000371090620 446623305 /nfs/dbraw/zinc/62/33/05/446623305.db2.gz VQVVAJLTVNTDTR-QGZVFWFLSA-N 2 0 337.508 1.679 20 0 EDADRP O[C@H](C[NH+]1CC[C@]2(C1)CCCOC2)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375274355 446687160 /nfs/dbraw/zinc/68/71/60/446687160.db2.gz ACEZKNNEWMZDSS-REPLKXPHSA-N 2 0 338.492 1.352 20 0 EDADRP Cn1cncc1CNC(=O)NC[C@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000368196895 446702341 /nfs/dbraw/zinc/70/23/41/446702341.db2.gz YROALPCDPWDZSB-QGZVFWFLSA-N 2 0 341.459 1.926 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000453913887 446706702 /nfs/dbraw/zinc/70/67/02/446706702.db2.gz HCCTYWJFVKXPBK-DOTOQJQBSA-N 2 0 344.459 1.158 20 0 EDADRP Cc1nc(N(C)C[C@H]2CCC[NH+]2C)nc(N(C)C[C@@H]2CCC[N@@H+]2C)n1 ZINC000420633015 446713331 /nfs/dbraw/zinc/71/33/31/446713331.db2.gz IOOYMYSRDLVKJB-IYBDPMFKSA-N 2 0 347.511 1.241 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000423827573 446716422 /nfs/dbraw/zinc/71/64/22/446716422.db2.gz AGMOWSRAEOYKDU-SJLPKXTDSA-N 2 0 325.497 1.853 20 0 EDADRP CC(C)CC[C@H](O)C[NH+]1CCN(CC[N@@H+]2CCCOCC2)CC1 ZINC000375334122 446727780 /nfs/dbraw/zinc/72/77/80/446727780.db2.gz BPBAUZUMKHURDG-SFHVURJKSA-N 2 0 327.513 1.123 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000418822382 446727866 /nfs/dbraw/zinc/72/78/66/446727866.db2.gz MXXYICVEHGGDMG-OAHLLOKOSA-N 2 0 340.512 1.056 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCN1CCC2)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000371274170 446734317 /nfs/dbraw/zinc/73/43/17/446734317.db2.gz CTSAKUBCVLXFLM-IBGZPJMESA-N 2 0 348.535 1.491 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000418829817 446736673 /nfs/dbraw/zinc/73/66/73/446736673.db2.gz XJDDFUGJZCWIQA-SJORKVTESA-N 2 0 348.491 1.348 20 0 EDADRP O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000375265062 446680333 /nfs/dbraw/zinc/68/03/33/446680333.db2.gz HXQAGUXEVYKTJX-ROUUACIJSA-N 2 0 342.487 1.942 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000423751101 446680481 /nfs/dbraw/zinc/68/04/81/446680481.db2.gz YEGGTQKRRVPSEJ-ZHALLVOQSA-N 2 0 336.524 1.523 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc3c(ccn3CCC[NH3+])c2)CCO1 ZINC000423751409 446682306 /nfs/dbraw/zinc/68/23/06/446682306.db2.gz FIMKGQOLTQCFSC-QGZVFWFLSA-N 2 0 344.459 1.393 20 0 EDADRP O=C([C@H]1C[C@@H](O)C[NH2+]1)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423896082 446750219 /nfs/dbraw/zinc/75/02/19/446750219.db2.gz GFGWMJOZBJKTCX-WJFTUGDTSA-N 2 0 343.471 1.222 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)C1CC[NH+](Cc2cccnc2)CC1 ZINC000376924802 446800402 /nfs/dbraw/zinc/80/04/02/446800402.db2.gz ZROMPKXPAZDPQL-UHFFFAOYSA-N 2 0 330.476 1.846 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000418899057 446781576 /nfs/dbraw/zinc/78/15/76/446781576.db2.gz BKHLVLKDIIOGAH-ZACQAIPSSA-N 2 0 346.475 1.182 20 0 EDADRP C[C@@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C[C@@H]1C[NH3+] ZINC000424011428 446821605 /nfs/dbraw/zinc/82/16/05/446821605.db2.gz YWUZRFVAWOQFRG-APWZRJJASA-N 2 0 344.503 1.491 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000424018572 446825385 /nfs/dbraw/zinc/82/53/85/446825385.db2.gz ISBOWFPVPGWKMS-SFHVURJKSA-N 2 0 349.475 1.597 20 0 EDADRP C[N@@H+]1CCC[C@H](CNCC(=O)NC[C@H]2CCCO2)[C@H]1c1ccccc1 ZINC000375448427 446805951 /nfs/dbraw/zinc/80/59/51/446805951.db2.gz LUCYLRISFFWWTN-QWFCFKBJSA-N 2 0 345.487 1.954 20 0 EDADRP C[N@@H+]1CCC[C@H](CNCC(=O)NC2CCOCC2)[C@H]1c1ccccc1 ZINC000375452016 446808987 /nfs/dbraw/zinc/80/89/87/446808987.db2.gz COQCCVRRMOLUGZ-YLJYHZDGSA-N 2 0 345.487 1.954 20 0 EDADRP Cn1nnnc1N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000371436956 446854847 /nfs/dbraw/zinc/85/48/47/446854847.db2.gz CWBDFECRUSKIPN-UHFFFAOYSA-N 2 0 347.511 1.566 20 0 EDADRP COCC[NH2+]CC(=O)N1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000375511236 446861816 /nfs/dbraw/zinc/86/18/16/446861816.db2.gz FQRJUXKBOZLJPO-QZTJIDSGSA-N 2 0 333.476 1.421 20 0 EDADRP COC(=O)[C@]1(C)CCC[N@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000412111415 446866835 /nfs/dbraw/zinc/86/68/35/446866835.db2.gz VXCLYCBCQOYMGA-GOSISDBHSA-N 2 0 339.480 1.251 20 0 EDADRP C[C@@H](C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000412132225 446875151 /nfs/dbraw/zinc/87/51/51/446875151.db2.gz PSRKFPSJZSXSSB-YVSFHVDLSA-N 2 0 325.497 1.817 20 0 EDADRP C[N@H+](CC(=O)N1CCC[NH+](CC2CCC2)CC1)[C@H]1CCSC1 ZINC000412308209 446929212 /nfs/dbraw/zinc/92/92/12/446929212.db2.gz IVYAZCZXOJSHAE-INIZCTEOSA-N 2 0 325.522 1.758 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000371568720 446931928 /nfs/dbraw/zinc/93/19/28/446931928.db2.gz AORFHLAGNWFITG-IRXDYDNUSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCCC[C@H]1C[NH3+])CC(C)C ZINC000419127777 446939756 /nfs/dbraw/zinc/93/97/56/446939756.db2.gz SLHZMCLSKBTEBT-HOTGVXAUSA-N 2 0 340.512 1.199 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)C(=O)NCC2([NH3+])CCCCC2)C1 ZINC000419166248 446984459 /nfs/dbraw/zinc/98/44/59/446984459.db2.gz HJDBTYWOUAMQPN-HNNXBMFYSA-N 2 0 338.496 1.001 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCC(N3CCCS3(=O)=O)CC2)[C@H](C)C1 ZINC000372056515 446985425 /nfs/dbraw/zinc/98/54/25/446985425.db2.gz QNNYYEPVZNTEPC-VXLLPVPCSA-N 2 0 343.537 1.653 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889927 447123376 /nfs/dbraw/zinc/12/33/76/447123376.db2.gz LUMFEBIDGKAYOH-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)c2coc(C[NH3+])c2)cc1 ZINC000444168934 447084897 /nfs/dbraw/zinc/08/48/97/447084897.db2.gz PUPODHZGMATSEA-UHFFFAOYSA-N 2 0 331.416 1.651 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCn3ccnc3C2)CCCC1 ZINC000368753697 447086331 /nfs/dbraw/zinc/08/63/31/447086331.db2.gz LAWUBPIAHMBALP-OAHLLOKOSA-N 2 0 333.480 1.867 20 0 EDADRP C[C@@H](C(=O)N1CCC[N@H+](CC(C)(C)O)CC1)[NH+]1CCCCCC1 ZINC000372494785 447089255 /nfs/dbraw/zinc/08/92/55/447089255.db2.gz KKBLBMVESCGIOE-INIZCTEOSA-N 2 0 325.497 1.556 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419386984 447143628 /nfs/dbraw/zinc/14/36/28/447143628.db2.gz AFJIDYWFHQMHMF-KBPBESRZSA-N 2 0 340.512 1.392 20 0 EDADRP CC[C@@H](C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1)[NH+](C)C ZINC000413303402 447126890 /nfs/dbraw/zinc/12/68/90/447126890.db2.gz QCBPPDSNPREPFL-WBVHZDCISA-N 2 0 346.475 1.663 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000375977110 447186727 /nfs/dbraw/zinc/18/67/27/447186727.db2.gz RIMCKEZAFPOZAE-AZUAARDMSA-N 2 0 343.471 1.259 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000377572475 447214584 /nfs/dbraw/zinc/21/45/84/447214584.db2.gz QUTJBSFLIHWXQI-QGZVFWFLSA-N 2 0 347.459 1.310 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CCC[C@@H]2[NH+]2CCOCC2)C1 ZINC000368986744 447248072 /nfs/dbraw/zinc/24/80/72/447248072.db2.gz LCADBMTUBFGWBS-ULQDDVLXSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000377621945 447251027 /nfs/dbraw/zinc/25/10/27/447251027.db2.gz HKSIRPRLUSHZLF-INIZCTEOSA-N 2 0 331.460 1.875 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419584477 447281199 /nfs/dbraw/zinc/28/11/99/447281199.db2.gz KVCIZWJSMHKVCT-WMLDXEAASA-N 2 0 346.475 1.313 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000426497468 447458981 /nfs/dbraw/zinc/45/89/81/447458981.db2.gz LECJJTRISHPLMD-INIZCTEOSA-N 2 0 347.507 1.684 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000458781129 447476830 /nfs/dbraw/zinc/47/68/30/447476830.db2.gz GCVWXTNWHSGQPY-OAGGEKHMSA-N 2 0 328.501 1.203 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415495900 447479140 /nfs/dbraw/zinc/47/91/40/447479140.db2.gz NJCDQFRKSBTUFO-NVXWUHKLSA-N 2 0 344.459 1.384 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426675112 447490083 /nfs/dbraw/zinc/49/00/83/447490083.db2.gz PHHIWOBBENUWNG-SFHVURJKSA-N 2 0 337.508 1.963 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415522878 447494447 /nfs/dbraw/zinc/49/44/47/447494447.db2.gz WUACLTWVJIHKAZ-UHFFFAOYSA-N 2 0 346.475 1.727 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@@H]1CCCC[NH2+]1 ZINC000390942802 447506182 /nfs/dbraw/zinc/50/61/82/447506182.db2.gz QZMHMQRYWUEERZ-MSOLQXFVSA-N 2 0 331.460 1.536 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NCC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000419999270 447537126 /nfs/dbraw/zinc/53/71/26/447537126.db2.gz MPCRGGRMLIMDKT-INIZCTEOSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000457213316 447545424 /nfs/dbraw/zinc/54/54/24/447545424.db2.gz VBKJSGVVOLHIIZ-UHFFFAOYSA-N 2 0 332.492 1.504 20 0 EDADRP C[C@@H]1CN(C(=O)CN2CC[NH2+]CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404403923 447600083 /nfs/dbraw/zinc/60/00/83/447600083.db2.gz XULMHGMIXZGZGD-KZNAEPCWSA-N 2 0 344.503 1.402 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427505955 447610974 /nfs/dbraw/zinc/61/09/74/447610974.db2.gz LKQDSASMTLMEEM-INIZCTEOSA-N 2 0 339.524 1.802 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000457997489 447692676 /nfs/dbraw/zinc/69/26/76/447692676.db2.gz ZJFZVUVCRVDROE-INIZCTEOSA-N 2 0 326.485 1.221 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000416835600 447693302 /nfs/dbraw/zinc/69/33/02/447693302.db2.gz UHAQDJFBXZKYCI-ARFHVFGLSA-N 2 0 332.448 1.667 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416812379 447690237 /nfs/dbraw/zinc/69/02/37/447690237.db2.gz DWQGWAQAVUHXPO-CVEARBPZSA-N 2 0 332.448 1.952 20 0 EDADRP C[C@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)[NH+]1CCC(C)CC1 ZINC000458053527 447710225 /nfs/dbraw/zinc/71/02/25/447710225.db2.gz SKWPIPIURSKFCZ-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2[NH2+]CCCC2(C)C)C[C@@H](C)O1 ZINC000416940865 447716934 /nfs/dbraw/zinc/71/69/34/447716934.db2.gz JJFZPXUVPGPDJE-BZUAXINKSA-N 2 0 340.512 1.563 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCC(=O)N2CCCCC2)CC[NH2+]CC1 ZINC000422695532 447718437 /nfs/dbraw/zinc/71/84/37/447718437.db2.gz PXFUYFGBZNIFHA-HNNXBMFYSA-N 2 0 339.480 1.300 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000416943646 447719653 /nfs/dbraw/zinc/71/96/53/447719653.db2.gz MACCFXXXSWNIHM-UXLLHSPISA-N 2 0 334.464 1.485 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000416947478 447722437 /nfs/dbraw/zinc/72/24/37/447722437.db2.gz GWAHVWRQGMZIOH-IAGOWNOFSA-N 2 0 339.528 1.090 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN(C)CC(F)(F)F)CC[NH2+]CC1 ZINC000422713125 447724351 /nfs/dbraw/zinc/72/43/51/447724351.db2.gz PEXQNOIKDFZFLQ-LBPRGKRZSA-N 2 0 339.402 1.392 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000422720268 447728023 /nfs/dbraw/zinc/72/80/23/447728023.db2.gz ZAUIBGUZLJBCKZ-LJQANCHMSA-N 3 0 334.508 1.278 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)Cn1ccnn1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000459715214 447749966 /nfs/dbraw/zinc/74/99/66/447749966.db2.gz PAIBXXXOIIZIGK-SZMVWBNQSA-N 2 0 329.448 1.139 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000458241119 447752362 /nfs/dbraw/zinc/75/23/62/447752362.db2.gz PMWYDWCGMJSRLC-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]CCN1CCN(c2ccc(F)cc2)CC1 ZINC000422814636 447757662 /nfs/dbraw/zinc/75/76/62/447757662.db2.gz VRQMGQGBRBZNNE-QGZVFWFLSA-N 2 0 338.471 1.291 20 0 EDADRP C[C@H](CCCC[NH3+])[NH2+]CCC(=O)N1CCN(c2ccccc2)CC1 ZINC000422843069 447767017 /nfs/dbraw/zinc/76/70/17/447767017.db2.gz GVDFTIPAHQCDAC-QGZVFWFLSA-N 2 0 332.492 1.832 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3C[NH3+])c2)C1 ZINC000422886883 447770222 /nfs/dbraw/zinc/77/02/22/447770222.db2.gz JWEJQTLNVCLWOL-OTWHNJEPSA-N 3 0 344.503 1.601 20 0 EDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCN[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000422875021 447770774 /nfs/dbraw/zinc/77/07/74/447770774.db2.gz BHLOAUGWCIDKTM-SQNIBIBYSA-N 2 0 330.476 1.664 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H](O)COc1ccccc1Br ZINC000422947316 447777806 /nfs/dbraw/zinc/77/78/06/447777806.db2.gz YFCGDNNTACGAQN-MBNYWOFBSA-N 2 0 343.265 1.776 20 0 EDADRP C[C@@H]([NH2+]C[C@H](CO)Cc1ccc(OC(F)(F)F)cc1)C1C[NH2+]C1 ZINC000422985776 447787395 /nfs/dbraw/zinc/78/73/95/447787395.db2.gz AGSCNXPFUKPLPM-DGCLKSJQSA-N 2 0 332.366 1.934 20 0 EDADRP CCOC(=O)c1ccc(N2CC([NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)C2)nc1 ZINC000423026171 447793965 /nfs/dbraw/zinc/79/39/65/447793965.db2.gz AVCYCEZIPUSJRS-XJKSGUPXSA-N 2 0 332.448 1.425 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000423031874 447794676 /nfs/dbraw/zinc/79/46/76/447794676.db2.gz LMWIFTYUAPHJOQ-LSTHTHJFSA-N 2 0 347.503 1.500 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000462723936 447799628 /nfs/dbraw/zinc/79/96/28/447799628.db2.gz VOJOMSBQLZNXIJ-IKGGRYGDSA-N 2 0 342.528 1.593 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000471654022 447807157 /nfs/dbraw/zinc/80/71/57/447807157.db2.gz QCGIXWISYCEXDY-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F ZINC000423114626 447808575 /nfs/dbraw/zinc/80/85/75/447808575.db2.gz ZSUJYEVEJHYDPX-UWVGGRQHSA-N 2 0 337.848 1.473 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC[C@](C)(NCC(=O)OC(C)(C)C)C1 ZINC000488567418 447848826 /nfs/dbraw/zinc/84/88/26/447848826.db2.gz WKXDDWVFCDJNFO-LBTNJELSSA-N 2 0 339.480 1.106 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497134035 447880724 /nfs/dbraw/zinc/88/07/24/447880724.db2.gz RLDLEZVFKLOUIB-PBHICJAKSA-N 2 0 329.485 1.584 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1cccnc1 ZINC000523484314 447888961 /nfs/dbraw/zinc/88/89/61/447888961.db2.gz AUBTWUVVOFORKA-SFHVURJKSA-N 2 0 332.492 1.889 20 0 EDADRP Cc1ccc([C@@H]2C[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000575799547 447899410 /nfs/dbraw/zinc/89/94/10/447899410.db2.gz LIOMOWHKUYPCHS-ZWKOTPCHSA-N 2 0 332.492 1.986 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CCc2ccccc2C1 ZINC000524930307 447960959 /nfs/dbraw/zinc/96/09/59/447960959.db2.gz MWWFNLDIIBVNAO-GOSISDBHSA-N 2 0 332.492 1.679 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C2(C)C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000569924226 447919621 /nfs/dbraw/zinc/91/96/21/447919621.db2.gz TZZGZEYVACPHKC-QGZVFWFLSA-N 2 0 330.476 1.091 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000576357931 448036411 /nfs/dbraw/zinc/03/64/11/448036411.db2.gz VAIXYMFMQQQHAI-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[NH+](CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1)C(C)C ZINC000576277136 448017115 /nfs/dbraw/zinc/01/71/15/448017115.db2.gz QMJAZMVXEQLQKR-UHFFFAOYSA-N 2 0 336.484 1.441 20 0 EDADRP C[NH+](Cc1cncc(C[N@@H+](C)[C@@H]2CCC[C@H]2O)c1)[C@@H]1CCC[C@H]1O ZINC000570914868 448084240 /nfs/dbraw/zinc/08/42/40/448084240.db2.gz ZMPQSDWREQWRJP-NCXUSEDFSA-N 2 0 333.476 1.772 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC(C[N@H+](C)C(C)C)CC2)CCC[NH2+]1 ZINC000576848978 448155049 /nfs/dbraw/zinc/15/50/49/448155049.db2.gz LYSSETRJWIBAFH-GOSISDBHSA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)/C=C/C[NH+](C)C)cc1 ZINC000491872608 448140108 /nfs/dbraw/zinc/14/01/08/448140108.db2.gz RQSQMEOUYMVFPR-BQYQJAHWSA-N 2 0 346.475 1.815 20 0 EDADRP CC(C)(C)CC[NH+]1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000514600922 448170645 /nfs/dbraw/zinc/17/06/45/448170645.db2.gz VUHRPBZIESGHJW-OAHLLOKOSA-N 2 0 348.495 1.224 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc([C@@]2(C)NC(=O)NC2=O)cc1 ZINC000531964783 448176934 /nfs/dbraw/zinc/17/69/34/448176934.db2.gz IXMMEMKPGHVTLV-QXMSGVSCSA-N 2 0 344.459 1.560 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@H](C[NH3+])C2)[C@@H](C)C1 ZINC000577047282 448199408 /nfs/dbraw/zinc/19/94/08/448199408.db2.gz QNHRULFQXIPRBP-BBWFWOEESA-N 2 0 340.512 1.504 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)[C@@H](N)c1cscn1 ZINC000582414555 448230489 /nfs/dbraw/zinc/23/04/89/448230489.db2.gz DSZMCHAGBIOZFB-XPKDYRNWSA-N 2 0 330.457 1.780 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000577347235 448270043 /nfs/dbraw/zinc/27/00/43/448270043.db2.gz IOYSQUCCZBCTBE-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@@H+]1C ZINC000532494168 448264637 /nfs/dbraw/zinc/26/46/37/448264637.db2.gz VQHRBKYQSCYKNI-DWQUBVKVSA-N 2 0 330.432 1.314 20 0 EDADRP [NH3+][C@H](CCC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000515402728 448308276 /nfs/dbraw/zinc/30/82/76/448308276.db2.gz SUEROXDSLZGUFN-CTWPCTMYSA-N 2 0 344.503 1.799 20 0 EDADRP Cc1cnc(C)nc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000577388305 448285107 /nfs/dbraw/zinc/28/51/07/448285107.db2.gz HKWMZPDOWBZFDE-UHFFFAOYSA-N 2 0 326.448 2.113 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000572116161 448291163 /nfs/dbraw/zinc/29/11/63/448291163.db2.gz MWMSDJMVGCTPBR-WMZOPIPTSA-N 2 0 331.460 1.346 20 0 EDADRP C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000582895018 448370370 /nfs/dbraw/zinc/37/03/70/448370370.db2.gz XTKDCJYTPJTTDY-RYQLBKOJSA-N 2 0 346.475 1.266 20 0 EDADRP O=c1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nc(C2CC2)[nH]1 ZINC000577585525 448332789 /nfs/dbraw/zinc/33/27/89/448332789.db2.gz KLOSOSKNNHGCQV-UHFFFAOYSA-N 2 0 346.475 1.994 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)(N2CCOCC2)C1 ZINC000577839753 448398779 /nfs/dbraw/zinc/39/87/79/448398779.db2.gz SGWSVLJEOVZHOW-GLKKMWKASA-N 2 0 345.487 1.991 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H]3CCCCC[NH2+]3)cn2)CC1 ZINC000577853278 448403601 /nfs/dbraw/zinc/40/36/01/448403601.db2.gz CEEALUNPVMLHJZ-KRWDZBQOSA-N 2 0 345.491 1.372 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000528046849 448416675 /nfs/dbraw/zinc/41/66/75/448416675.db2.gz AWBRZGUXNYFWAB-INIZCTEOSA-N 2 0 325.478 1.367 20 0 EDADRP Cc1ccccc1OC[C@@H](O)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000578064653 448452510 /nfs/dbraw/zinc/45/25/10/448452510.db2.gz OQVYOPMXWLCUGB-SFHVURJKSA-N 2 0 335.492 1.350 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC[N@@H+]1CCOC ZINC000572769388 448461193 /nfs/dbraw/zinc/46/11/93/448461193.db2.gz YWMNULXSRMPFNE-JFIYKMOQSA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)CC1 ZINC000516751357 448466870 /nfs/dbraw/zinc/46/68/70/448466870.db2.gz NMNVLLDAEQJSBS-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CCOC(=O)C1CCC(O)(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000591749047 448480711 /nfs/dbraw/zinc/48/07/11/448480711.db2.gz CIZNKKNMBHXFAV-BNQMIIOLSA-N 2 0 326.481 1.933 20 0 EDADRP CN1CCN(C(=O)NCc2cccc(COC(C)(C)C)c2)[C@H](C[NH3+])C1 ZINC000572856206 448482714 /nfs/dbraw/zinc/48/27/14/448482714.db2.gz DHSWQKJVXDCJSX-QGZVFWFLSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000566512836 448497490 /nfs/dbraw/zinc/49/74/90/448497490.db2.gz KLKQFRZSTGXICG-CIRFHOKZSA-N 2 0 330.476 1.804 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000584412135 448518013 /nfs/dbraw/zinc/51/80/13/448518013.db2.gz WBNCZLDRIJDNNU-IYBDPMFKSA-N 2 0 344.459 1.258 20 0 EDADRP CC[N@H+]1C[C@@H](C)N(C(=O)CN2CCN(c3ccccn3)CC2)[C@@H](C)C1 ZINC000578337321 448522431 /nfs/dbraw/zinc/52/24/31/448522431.db2.gz CLQPHAHSSFSFNT-CALCHBBNSA-N 2 0 345.491 1.145 20 0 EDADRP CN1CCN(C(=O)Nc2ccnc(Oc3ccccc3)c2)[C@H](C[NH3+])C1 ZINC000573071097 448534165 /nfs/dbraw/zinc/53/41/65/448534165.db2.gz IGXKVNMUYRVIQX-OAHLLOKOSA-N 2 0 341.415 1.981 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)n1ccnc1 ZINC000578513014 448565586 /nfs/dbraw/zinc/56/55/86/448565586.db2.gz IBNNHRITDYSFAU-DLBZAZTESA-N 2 0 335.496 1.709 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1csc(CC[NH3+])n1 ZINC000584471117 448540394 /nfs/dbraw/zinc/54/03/94/448540394.db2.gz XKINBEILHGYLKX-UHFFFAOYSA-N 2 0 333.461 1.243 20 0 EDADRP C[NH+](C)[C@H]1CN(C(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1O ZINC000584479484 448542713 /nfs/dbraw/zinc/54/27/13/448542713.db2.gz XMUNDPHVFXWGQN-ROUUACIJSA-N 2 0 345.487 1.422 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000567102539 448613575 /nfs/dbraw/zinc/61/35/75/448613575.db2.gz OBYPYDMKWDHKSN-KBAYOESNSA-N 2 0 331.460 1.916 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@H]1CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000573340119 448604030 /nfs/dbraw/zinc/60/40/30/448604030.db2.gz JHVBXWBHTUIRLK-IBGZPJMESA-N 2 0 342.487 1.865 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000578857594 448653025 /nfs/dbraw/zinc/65/30/25/448653025.db2.gz KAJBHRGFAGKVMT-NSHDSACASA-N 2 0 348.310 1.209 20 0 EDADRP CC[NH+]1CCC(N2CCCN(S(=O)(=O)CC3CC3)CC2)CC1 ZINC000578886432 448663172 /nfs/dbraw/zinc/66/31/72/448663172.db2.gz PADWGMMTNSWVLH-UHFFFAOYSA-N 2 0 329.510 1.218 20 0 EDADRP CCc1cccnc1[C@@H](C)[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC[NH2+]CC1 ZINC000573594037 448666825 /nfs/dbraw/zinc/66/68/25/448666825.db2.gz LBTTWQVWWBDWHB-NRXGSXMXSA-N 2 0 330.476 1.941 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000584778766 448629029 /nfs/dbraw/zinc/62/90/29/448629029.db2.gz XZOBBFKKSVSQSG-ZQIUZPCESA-N 2 0 334.464 1.178 20 0 EDADRP C[C@@H](C(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)[NH+]1CC(C)C1 ZINC000573815799 448722104 /nfs/dbraw/zinc/72/21/04/448722104.db2.gz XSSULGLXJOBFTK-KRWDZBQOSA-N 2 0 337.508 1.678 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000573786436 448711184 /nfs/dbraw/zinc/71/11/84/448711184.db2.gz JIUFIBKKPTUNAJ-CEXWTWQISA-N 2 0 343.471 1.618 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000567571526 448715579 /nfs/dbraw/zinc/71/55/79/448715579.db2.gz LPYZUNMUMCIGJG-RDTXWAMCSA-N 2 0 328.460 1.657 20 0 EDADRP CC[C@H]1C[N@H+](C)CCN1C(=O)NCc1cccnc1N1CCOCC1 ZINC000567580369 448718360 /nfs/dbraw/zinc/71/83/60/448718360.db2.gz BDDBEWDYCINXQL-INIZCTEOSA-N 2 0 347.463 1.154 20 0 EDADRP c1cn(-c2cccc(CNc3ccnc(N4CCOCC4)n3)c2)cn1 ZINC000543693883 448743615 /nfs/dbraw/zinc/74/36/15/448743615.db2.gz XOGJXBOSGWCKHY-UHFFFAOYSA-N 2 0 336.399 2.111 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCC(C)(C)N2CCOCC2)C1 ZINC000579443048 448793093 /nfs/dbraw/zinc/79/30/93/448793093.db2.gz KRXSQZJNUQIQIA-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2COCC[NH2+]2)CC1 ZINC000529310002 448817234 /nfs/dbraw/zinc/81/72/34/448817234.db2.gz MQCGUOLQQVBOBD-MAUKXSAKSA-N 2 0 346.475 1.500 20 0 EDADRP COc1ccc(C[N@@H+]2CCN3C(=O)[C@H]([NH3+])C[C@@H]3C2)c2ccccc12 ZINC000519703266 448824177 /nfs/dbraw/zinc/82/41/77/448824177.db2.gz FCSOCRUEZDFXDC-RHSMWYFYSA-N 2 0 325.412 1.592 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)Cc1ccccc1N1CCOCC1 ZINC000579647100 448841220 /nfs/dbraw/zinc/84/12/20/448841220.db2.gz FPQGPXAQIKRFHV-UHFFFAOYSA-N 2 0 334.508 1.448 20 0 EDADRP COc1c2ccccc2oc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000574312338 448842168 /nfs/dbraw/zinc/84/21/68/448842168.db2.gz NYINUXYWYCGIFS-CQSZACIVSA-N 2 0 333.432 1.139 20 0 EDADRP COc1ccc(COC[C@@H](O)C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000519816261 448850063 /nfs/dbraw/zinc/85/00/63/448850063.db2.gz CPVLRWCMSBHPEI-AEFFLSMTSA-N 2 0 334.460 1.647 20 0 EDADRP CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1 ZINC000520578101 448912492 /nfs/dbraw/zinc/91/24/92/448912492.db2.gz TXBBGPHYXOOTEA-YOEHRIQHSA-N 2 0 331.460 1.730 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2([NH3+])CCC2)c1 ZINC000520588061 448914725 /nfs/dbraw/zinc/91/47/25/448914725.db2.gz DONJVBAJEJHXKS-UHFFFAOYSA-N 2 0 332.448 1.578 20 0 EDADRP COc1cc2c(cc1C[N@H+](C)CCCN(C)CC[NH+](C)C)OCO2 ZINC000574677861 448930916 /nfs/dbraw/zinc/93/09/16/448930916.db2.gz LSHKTLXJUUFXAA-UHFFFAOYSA-N 2 0 337.464 1.739 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@]3(O)CC[NH+](Cc4ccccc4)C3)C2)C1 ZINC000568547633 448887597 /nfs/dbraw/zinc/88/75/97/448887597.db2.gz XELBLVGPMUCOMB-VQTJNVASSA-N 2 0 343.471 1.178 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)N2CC[NH+](C)CC2)o1 ZINC000588935398 448951667 /nfs/dbraw/zinc/95/16/67/448951667.db2.gz KCPNOXUWDPIYRN-HNNXBMFYSA-N 2 0 336.480 1.487 20 0 EDADRP C[NH2+]C[C@@](C)(O)C[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000582127570 449019176 /nfs/dbraw/zinc/01/91/76/449019176.db2.gz ZOHBTKXIYFJVTD-QFBILLFUSA-N 2 0 348.491 1.799 20 0 EDADRP Cc1c(Cl)c(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)nc2ccccc12 ZINC000582133060 449020987 /nfs/dbraw/zinc/02/09/87/449020987.db2.gz IBOPPLPMIRLYST-JSGCOSHPSA-N 2 0 344.846 1.940 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC1CC[NH2+]CC1 ZINC000575051323 449022541 /nfs/dbraw/zinc/02/25/41/449022541.db2.gz ZPDVVSHBERVJFZ-UHFFFAOYSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@@H](CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C[NH+]1CCCCC1 ZINC000592956689 449078264 /nfs/dbraw/zinc/07/82/64/449078264.db2.gz INYSWZNSQQPOTB-GJZGRUSLSA-N 2 0 333.480 1.571 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592960423 449084754 /nfs/dbraw/zinc/08/47/54/449084754.db2.gz ZXENJIWQGWQMKC-LSDHHAIUSA-N 2 0 333.480 1.714 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000522138132 449055087 /nfs/dbraw/zinc/05/50/87/449055087.db2.gz CEGBFXRUHOVGDP-INIZCTEOSA-N 2 0 344.459 1.402 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592960212 449084940 /nfs/dbraw/zinc/08/49/40/449084940.db2.gz UMMAZSBGMKKXSA-CABCVRRESA-N 2 0 333.480 1.427 20 0 EDADRP CC[C@@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C(=O)OC ZINC000595909685 449247272 /nfs/dbraw/zinc/24/72/72/449247272.db2.gz MQNCFNDTNRIAFE-ANQUJSFKSA-N 2 0 341.496 1.530 20 0 EDADRP C[N@@H+]1CCC[C@@H](NC(=O)NC[C@@H]2CC[NH+](CCc3ccccc3)C2)C1 ZINC000590860010 449323930 /nfs/dbraw/zinc/32/39/30/449323930.db2.gz YLWWUMAAYUHWFO-RBUKOAKNSA-N 2 0 344.503 1.944 20 0 EDADRP O=C(NC[C@H]1CC[NH+](C2CC2)C1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000605425579 449380764 /nfs/dbraw/zinc/38/07/64/449380764.db2.gz CWJUONYRLXETEL-YLJYHZDGSA-N 2 0 343.471 1.224 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@@H+](C)C(C)(C)CO)CC2)cc1 ZINC000605574770 449397954 /nfs/dbraw/zinc/39/79/54/449397954.db2.gz LHMGFYDZQMZWCP-UHFFFAOYSA-N 2 0 347.503 1.732 20 0 EDADRP CSC1(CNC(=O)[C@H]2CCN2C2CCCC2)CC[NH+](C)CC1 ZINC000602152604 449387535 /nfs/dbraw/zinc/38/75/35/449387535.db2.gz PRHFBSFVWMDKJR-OAHLLOKOSA-N 2 0 325.522 1.947 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1OCCc2ccccc21 ZINC000607244677 449589863 /nfs/dbraw/zinc/58/98/63/449589863.db2.gz UQYBGOFHURRWCQ-GOSISDBHSA-N 2 0 348.491 1.435 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1CSc2ccccc21 ZINC000607247511 449591211 /nfs/dbraw/zinc/59/12/11/449591211.db2.gz SCNLEBXIIBNNPN-OAHLLOKOSA-N 2 0 336.505 1.968 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2cc(C(=O)OC)cs2)CC1 ZINC000602538279 449660742 /nfs/dbraw/zinc/66/07/42/449660742.db2.gz BWFLWNKZZLTYML-CQSZACIVSA-N 2 0 339.505 1.898 20 0 EDADRP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1C ZINC000602657662 449734414 /nfs/dbraw/zinc/73/44/14/449734414.db2.gz QRASIJQTUVFNPA-INIZCTEOSA-N 2 0 348.491 1.412 20 0 EDADRP [NH3+][C@H]1C[C@@H]2C[N@H+](CCCc3ccc(C(F)(F)F)cc3)CCN2C1=O ZINC000594875137 449789566 /nfs/dbraw/zinc/78/95/66/449789566.db2.gz XHYDSVMAAUTUMB-CABCVRRESA-N 2 0 341.377 1.882 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H]2CNc3ccnn3C2)(N2CCCCC2)CC1 ZINC000608064926 449741134 /nfs/dbraw/zinc/74/11/34/449741134.db2.gz JMMQAOOKFNOHFF-KRWDZBQOSA-N 2 0 346.523 1.465 20 0 EDADRP COc1ccc(C[NH+](C)C)cc1NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000601350674 449863734 /nfs/dbraw/zinc/86/37/34/449863734.db2.gz ZWFNMWBBJVZKAD-HNNXBMFYSA-N 2 0 349.479 1.124 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCCN1CCN(c2ccc(F)cc2)CC1 ZINC000599308962 449880353 /nfs/dbraw/zinc/88/03/53/449880353.db2.gz GGACDIVKZNUHGA-GOSISDBHSA-N 2 0 348.466 1.548 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000612970027 449963718 /nfs/dbraw/zinc/96/37/18/449963718.db2.gz KJGBGCFHAVXAII-HNNXBMFYSA-N 2 0 336.480 1.073 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612977841 449968486 /nfs/dbraw/zinc/96/84/86/449968486.db2.gz SMOPYDNVVYDIHA-MRXNPFEDSA-N 2 0 338.496 1.317 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CCN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000612992211 449974501 /nfs/dbraw/zinc/97/45/01/449974501.db2.gz BIUXXIRFHWKKMN-BZUAXINKSA-N 2 0 336.480 1.056 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCN(C(=O)N[C@@H]3CC34CC[NH2+]CC4)C2)C1 ZINC000612997236 449977285 /nfs/dbraw/zinc/97/72/85/449977285.db2.gz VYSPINQVRQTAKO-XUWVNRHRSA-N 2 0 336.480 1.056 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@@H]2CCC[N@@H+]2C)cn1 ZINC000615268169 450030227 /nfs/dbraw/zinc/03/02/27/450030227.db2.gz UHYDVNYLWHNZJZ-DLBZAZTESA-N 2 0 332.448 1.078 20 0 EDADRP CC(C)CNC(=O)CCC[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595341353 450054539 /nfs/dbraw/zinc/05/45/39/450054539.db2.gz WJPYGAOKKGGPCE-GOSISDBHSA-N 2 0 338.540 1.639 20 0 EDADRP COC(=O)c1c[nH]c2cc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])ccc12 ZINC000599615780 450105820 /nfs/dbraw/zinc/10/58/20/450105820.db2.gz NCPCUPCQBPJRSE-GFCCVEGCSA-N 2 0 345.403 1.061 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000613661474 450263447 /nfs/dbraw/zinc/26/34/47/450263447.db2.gz XFYGHOCVHRKKMX-HZPDHXFCSA-N 2 0 331.464 1.046 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCOC3CCOCC3)CC2)CC1 ZINC000625325633 450291467 /nfs/dbraw/zinc/29/14/67/450291467.db2.gz JLPJXMCHDNHUNY-UHFFFAOYSA-N 2 0 339.524 1.532 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000620623294 450522048 /nfs/dbraw/zinc/52/20/48/450522048.db2.gz OOPRVUMYCWGOKV-UHFFFAOYSA-N 2 0 336.480 1.872 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H]1CC[NH+]1C1CCCCC1 ZINC000623572071 450545195 /nfs/dbraw/zinc/54/51/95/450545195.db2.gz PTPLMAWJNFDPCO-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000627257525 450586603 /nfs/dbraw/zinc/58/66/03/450586603.db2.gz ISVYEMPMKNVQRI-IAGOWNOFSA-N 2 0 325.497 1.556 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000633042268 450640869 /nfs/dbraw/zinc/64/08/69/450640869.db2.gz CLAAKKSULKAOEG-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000635113205 450659221 /nfs/dbraw/zinc/65/92/21/450659221.db2.gz XUYAMLAYNGODNG-INIZCTEOSA-N 2 0 349.475 1.891 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)CC[N@@H+]1C ZINC000631600807 450672202 /nfs/dbraw/zinc/67/22/02/450672202.db2.gz TWSDBPCLLFZWJH-IXDOHACOSA-N 2 0 325.497 1.676 20 0 EDADRP C[C@@H]1CC[C@H](NC(=O)C(=O)NCC2([NH+](C)C)CCCCCC2)C[NH2+]1 ZINC000627300691 450632062 /nfs/dbraw/zinc/63/20/62/450632062.db2.gz JQTHOMIIIKNVKE-CABCVRRESA-N 2 0 338.496 1.014 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H]1CCN(c2ccc(F)c(F)c2)C1)C[NH+]1CCCC1 ZINC000629558650 450735234 /nfs/dbraw/zinc/73/52/34/450735234.db2.gz LIKBIMIPSMMFSG-HOCLYGCPSA-N 2 0 339.430 1.837 20 0 EDADRP O[C@H](CNC[C@H]1CC[N@H+](CCc2ccccc2)C1)C[NH+]1CCCC1 ZINC000629560324 450736457 /nfs/dbraw/zinc/73/64/57/450736457.db2.gz QWMFOVBLQSZFAY-WOJBJXKFSA-N 2 0 331.504 1.597 20 0 EDADRP COc1ccc(C[C@H](C)C[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000629575411 450743824 /nfs/dbraw/zinc/74/38/24/450743824.db2.gz OYTRRXRSTPKCKQ-DOTOQJQBSA-N 2 0 336.476 1.929 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]Cc2csc(C(F)(F)F)c2)CC1 ZINC000629615268 450762189 /nfs/dbraw/zinc/76/21/89/450762189.db2.gz TZYWMZNZOAXMEG-LBPRGKRZSA-N 2 0 337.411 1.465 20 0 EDADRP C[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)C2)C1 ZINC000627505068 450781592 /nfs/dbraw/zinc/78/15/92/450781592.db2.gz UYKMGDQZWORALH-NSHGMRRFSA-N 2 0 327.472 1.886 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000635278337 450808513 /nfs/dbraw/zinc/80/85/13/450808513.db2.gz JWXDKLOLRVBOIS-OAHLLOKOSA-N 2 0 325.522 1.806 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000631861338 450831797 /nfs/dbraw/zinc/83/17/97/450831797.db2.gz ZJJBFQSYLBVATJ-GDBMZVCRSA-N 2 0 348.516 1.595 20 0 EDADRP C[C@@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000631827061 450799339 /nfs/dbraw/zinc/79/93/39/450799339.db2.gz DNTZRJKXZVZURN-NUJGCVRESA-N 2 0 330.476 1.232 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828849 450801151 /nfs/dbraw/zinc/80/11/51/450801151.db2.gz AATZKNQIHPMYNQ-RLFYNMQTSA-N 2 0 345.443 1.850 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@H]3CCC(F)(F)C3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000631828294 450801172 /nfs/dbraw/zinc/80/11/72/450801172.db2.gz LCVNEZXYMOHIPQ-CFVMTHIKSA-N 2 0 342.434 1.642 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H](C[NH3+])Cc3ccccc32)CC1 ZINC000631893088 450852881 /nfs/dbraw/zinc/85/28/81/450852881.db2.gz GVIADSWITWDFPK-MRXNPFEDSA-N 2 0 344.503 1.613 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C(C)(C)C[NH+]2CCOCC2)([NH+](C)C)C1 ZINC000635404308 450913158 /nfs/dbraw/zinc/91/31/58/450913158.db2.gz AFAQPYJYYTUKRG-APWZRJJASA-N 2 0 339.524 1.972 20 0 EDADRP CCC(C)(C)[C@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000635457062 450956490 /nfs/dbraw/zinc/95/64/90/450956490.db2.gz ARYKTTARFRCJGB-QGZVFWFLSA-N 2 0 348.491 1.507 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC1(C[NH3+])CCOCC1)[NH+]1CCCC1 ZINC000626930233 451012743 /nfs/dbraw/zinc/01/27/43/451012743.db2.gz ZBPBEGTZZXFXJB-INIZCTEOSA-N 2 0 340.512 1.694 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626937787 451019256 /nfs/dbraw/zinc/01/92/56/451019256.db2.gz YUWNCCWGNQAOMR-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626945182 451024602 /nfs/dbraw/zinc/02/46/02/451024602.db2.gz RFCOCZHZNMAIDJ-IRXDYDNUSA-N 2 0 330.476 1.743 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000626947691 451026305 /nfs/dbraw/zinc/02/63/05/451026305.db2.gz WTECXZZENHKMBH-OAHLLOKOSA-N 2 0 328.501 1.374 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000626977411 451045971 /nfs/dbraw/zinc/04/59/71/451045971.db2.gz ZAMMSJKFIJEBCT-QWHCGFSZSA-N 2 0 338.418 1.887 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)C[C@H]3CC[N@H+](C)C3)CCCC2)CC1 ZINC000635539513 451035595 /nfs/dbraw/zinc/03/55/95/451035595.db2.gz QDZIIABUYNWLGK-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)[NH+](C)C ZINC000635542575 451038495 /nfs/dbraw/zinc/03/84/95/451038495.db2.gz ZSHHMYSLYURCJD-OAHLLOKOSA-N 2 0 325.497 1.866 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)CC1 ZINC000635542183 451038668 /nfs/dbraw/zinc/03/86/68/451038668.db2.gz AOBGIVQWMHYEET-LJQANCHMSA-N 2 0 348.535 1.489 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559008 451055767 /nfs/dbraw/zinc/05/57/67/451055767.db2.gz OUVBGYAUBIEPKN-SFHVURJKSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@H](NC(=O)NC1(C[NH3+])CCOCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000627011834 451075292 /nfs/dbraw/zinc/07/52/92/451075292.db2.gz KZOCUBNZTXMIJT-GJZGRUSLSA-N 2 0 338.496 1.447 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000632150973 451076360 /nfs/dbraw/zinc/07/63/60/451076360.db2.gz TZMBMGFGAWLROZ-HZPDHXFCSA-N 2 0 325.478 1.303 20 0 EDADRP O=C(NCCC[NH+]1CCC(O)CC1)c1cc(-n2ccnc2)ccc1O ZINC000635580616 451079873 /nfs/dbraw/zinc/07/98/73/451079873.db2.gz HVEAPQGAMBMHOE-UHFFFAOYSA-N 2 0 344.415 1.155 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000627031797 451090595 /nfs/dbraw/zinc/09/05/95/451090595.db2.gz IKUROODHYBHNGP-KBXCAEBGSA-N 2 0 346.475 1.709 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000627038495 451095419 /nfs/dbraw/zinc/09/54/19/451095419.db2.gz MULRKGWNJPWJQI-RDJZCZTQSA-N 2 0 340.512 1.515 20 0 EDADRP C[N@H+](Cc1ccccc1)C1(CNC(=O)NC[C@H]2COCC[NH2+]2)CCC1 ZINC000627050085 451101811 /nfs/dbraw/zinc/10/18/11/451101811.db2.gz AQAVQBYWKBCLRE-KRWDZBQOSA-N 2 0 346.475 1.329 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NCC2([NH3+])CCOCC2)cc1 ZINC000627071008 451111094 /nfs/dbraw/zinc/11/10/94/451111094.db2.gz IXYJDPHSMDIEHI-INIZCTEOSA-N 2 0 334.464 1.617 20 0 EDADRP COc1ccc(CN2CC[C@H]2C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000635633927 451123178 /nfs/dbraw/zinc/12/31/78/451123178.db2.gz NQSJDTWSEKDGRM-AOIWGVFYSA-N 2 0 343.471 1.965 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NS(=O)(=O)CCC[NH+](C)C)[NH+](C)C ZINC000632266365 451156800 /nfs/dbraw/zinc/15/68/00/451156800.db2.gz VLAIFQUGXIZXRM-RDJZCZTQSA-N 2 0 341.521 1.857 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(C[NH+]3CCC(O)CC3)cc2)C1 ZINC000635745053 451214613 /nfs/dbraw/zinc/21/46/13/451214613.db2.gz TYBWKOJXCRWYCM-INIZCTEOSA-N 2 0 331.460 1.924 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000638083362 451246388 /nfs/dbraw/zinc/24/63/88/451246388.db2.gz IZHOLMTZGSSPFQ-SFHVURJKSA-N 2 0 327.472 1.962 20 0 EDADRP C[C@]1(C(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]CCO1 ZINC000638085083 451249085 /nfs/dbraw/zinc/24/90/85/451249085.db2.gz JJXGVIZDFSYHES-PKOBYXMFSA-N 2 0 331.460 1.046 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634261220 451256341 /nfs/dbraw/zinc/25/63/41/451256341.db2.gz ZBYYJLBZFKDRPR-HKUYNNGSSA-N 2 0 346.475 1.065 20 0 EDADRP CC(C)CC[C@@H]([NH3+])C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000638089765 451256338 /nfs/dbraw/zinc/25/63/38/451256338.db2.gz CUOBTHZWUMXPPJ-FGTMMUONSA-N 2 0 338.540 1.767 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C3=CC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000638091491 451256951 /nfs/dbraw/zinc/25/69/51/451256951.db2.gz WFMKLUQMQIHVBR-GFCCVEGCSA-N 2 0 330.388 1.142 20 0 EDADRP [NH3+]Cc1cnn(Cc2cn([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2)c1 ZINC000630591091 451266824 /nfs/dbraw/zinc/26/68/24/451266824.db2.gz CTQAMRTWUSCPGS-GOSISDBHSA-N 2 0 337.431 1.429 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@]1(C[NH3+])CCCOC1)c1ccccc1 ZINC000638101614 451266854 /nfs/dbraw/zinc/26/68/54/451266854.db2.gz QGOHLEYJGOMONR-BEFAXECRSA-N 2 0 333.476 1.988 20 0 EDADRP C[C@H]1C[C@H](NC(=O)c2cnc(C[NH3+])nc2)CC[N@@H+]1Cc1ccccc1 ZINC000638104429 451271504 /nfs/dbraw/zinc/27/15/04/451271504.db2.gz ZQCGKEXMFRPGGM-WMLDXEAASA-N 2 0 339.443 1.718 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)c3oc(C[NH3+])cc3C)CC2)c1 ZINC000638104157 451272178 /nfs/dbraw/zinc/27/21/78/451272178.db2.gz XTDKVWWYCSINKF-UHFFFAOYSA-N 2 0 330.388 1.413 20 0 EDADRP C[C@@]1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C[NH2+]CCO1 ZINC000638111411 451280197 /nfs/dbraw/zinc/28/01/97/451280197.db2.gz DMDAQDUAHQYUGL-IBGZPJMESA-N 2 0 347.459 1.156 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)Nc2ccc3ccn(CC[NH+](C)C)c3c2)C1 ZINC000638120512 451287716 /nfs/dbraw/zinc/28/77/16/451287716.db2.gz FCCRNFUBHIREAX-LPHOPBHVSA-N 2 0 344.459 1.908 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000638122106 451291509 /nfs/dbraw/zinc/29/15/09/451291509.db2.gz LJLWMLXQRBODOH-INIZCTEOSA-N 2 0 347.434 1.833 20 0 EDADRP C[NH+](C)CCn1ccc2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc21 ZINC000638123746 451294043 /nfs/dbraw/zinc/29/40/43/451294043.db2.gz RLLFWZVQSHIWRL-SFHVURJKSA-N 2 0 330.432 1.520 20 0 EDADRP [NH3+][C@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000638138578 451312499 /nfs/dbraw/zinc/31/24/99/451312499.db2.gz IBXVWDSMFUXGIP-JENIJYKNSA-N 2 0 329.444 1.085 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638152829 451323941 /nfs/dbraw/zinc/32/39/41/451323941.db2.gz RWQCOCYYSASNPN-GOSISDBHSA-N 2 0 332.492 1.294 20 0 EDADRP [NH3+][C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2)C1CC1 ZINC000638155052 451325693 /nfs/dbraw/zinc/32/56/93/451325693.db2.gz RPKCRZWHUZJHMH-NSHGMRRFSA-N 2 0 343.471 1.379 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635935179 451378293 /nfs/dbraw/zinc/37/82/93/451378293.db2.gz ZFIQYOXJSFRTRS-OAHLLOKOSA-N 2 0 334.464 1.370 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000638266747 451388138 /nfs/dbraw/zinc/38/81/38/451388138.db2.gz ROCYOLBDPIVIKB-OLZOCXBDSA-N 2 0 331.338 1.200 20 0 EDADRP C[N@@H+]1CCCC[C@@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000628749186 451397077 /nfs/dbraw/zinc/39/70/77/451397077.db2.gz IIYUPJFIMVYRLD-ICSRJNTNSA-N 2 0 345.487 1.472 20 0 EDADRP CO[C@@H](C[NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000638290786 451406554 /nfs/dbraw/zinc/40/65/54/451406554.db2.gz JOUQQUUNICVFGC-PMACEKPBSA-N 2 0 347.503 1.445 20 0 EDADRP CC(C)(C)[C@@H](C[NH3+])NC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1 ZINC000638334816 451439796 /nfs/dbraw/zinc/43/97/96/451439796.db2.gz FEDCNKYPGAOKEN-QGZVFWFLSA-N 2 0 346.519 1.860 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630807089 451413071 /nfs/dbraw/zinc/41/30/71/451413071.db2.gz DAGHSNLZNDILQB-HZPDHXFCSA-N 2 0 349.523 1.931 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCc2cccnc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000630838125 451429694 /nfs/dbraw/zinc/42/96/94/451429694.db2.gz WCEHMUBQXYKMOB-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP CC(C)[C@H](C[NH2+]C1CC[NH+](CC(C)(C)O)CC1)N1CCOCC1 ZINC000638322362 451431887 /nfs/dbraw/zinc/43/18/87/451431887.db2.gz ZBTVWRAKNBYMBF-KRWDZBQOSA-N 2 0 327.513 1.168 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]C[C@H](O)CC2(O)CCOCC2)C1 ZINC000634642132 451434513 /nfs/dbraw/zinc/43/45/13/451434513.db2.gz FLBUNVPSKUPDRN-BRWVUGGUSA-N 2 0 328.497 1.237 20 0 EDADRP COC[C@]1(C(=O)Nc2ncc(C3CC[NH2+]CC3)s2)CCCC[NH2+]1 ZINC000638328280 451435967 /nfs/dbraw/zinc/43/59/67/451435967.db2.gz GNQVZJAOIKSUGA-INIZCTEOSA-N 2 0 338.477 1.707 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000638361223 451460069 /nfs/dbraw/zinc/46/00/69/451460069.db2.gz ZPSMQMNZECGTJP-UHFFFAOYSA-N 3 0 340.556 1.229 20 0 EDADRP COc1ccc(CN2CC[C@H]2C(=O)N(C)C[C@H]2CCC[N@@H+]2C)cc1 ZINC000636052366 451467663 /nfs/dbraw/zinc/46/76/63/451467663.db2.gz CQIIUICJNGSMAU-AEFFLSMTSA-N 2 0 331.460 1.822 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638374153 451470263 /nfs/dbraw/zinc/47/02/63/451470263.db2.gz XFNMIXYXBZPDLC-FQEVSTJZSA-N 2 0 335.451 1.960 20 0 EDADRP C[C@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000634698934 451471038 /nfs/dbraw/zinc/47/10/38/451471038.db2.gz BKTVBHUUCTTZNM-UYAOXDASSA-N 2 0 331.504 1.945 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000638379769 451475382 /nfs/dbraw/zinc/47/53/82/451475382.db2.gz MZGUOMPAEPIHFC-TVRKMHQQSA-N 2 0 330.476 1.176 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000630912285 451480042 /nfs/dbraw/zinc/48/00/42/451480042.db2.gz HPEGOBZMZNEOFL-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000638388968 451480937 /nfs/dbraw/zinc/48/09/37/451480937.db2.gz KSJNYBTZRHUYBV-GOSISDBHSA-N 2 0 344.434 1.360 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000638400632 451488968 /nfs/dbraw/zinc/48/89/68/451488968.db2.gz KGTYHJNOEKWQQG-MSOLQXFVSA-N 2 0 346.519 1.682 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC([C@H]3CCC[NH2+]C3)CC2)c1 ZINC000638404093 451493089 /nfs/dbraw/zinc/49/30/89/451493089.db2.gz ZFMYKMYSSXBNKD-HKUYNNGSSA-N 2 0 345.487 1.803 20 0 EDADRP O[C@@H](CNC[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCCC1 ZINC000634719369 451500361 /nfs/dbraw/zinc/50/03/61/451500361.db2.gz SNJCJCDNQJLEEH-VQTJNVASSA-N 2 0 347.503 1.060 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnc(CCOC)s2)CC1 ZINC000631040974 451547171 /nfs/dbraw/zinc/54/71/71/451547171.db2.gz HNRPLQYNXRGBRY-AWEZNQCLSA-N 2 0 326.510 1.448 20 0 EDADRP COc1cc(F)cc(OC)c1C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000631039787 451547212 /nfs/dbraw/zinc/54/72/12/451547212.db2.gz CQBJHXQPXSUHLA-UHFFFAOYSA-N 2 0 339.455 1.960 20 0 EDADRP COCC[NH2+]CC(=O)N1CC[N@H+](Cc2ccccc2)[C@H](C(C)C)C1 ZINC000638513486 451553948 /nfs/dbraw/zinc/55/39/48/451553948.db2.gz MQUTWAHIKSDIRG-SFHVURJKSA-N 2 0 333.476 1.591 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000638525780 451558061 /nfs/dbraw/zinc/55/80/61/451558061.db2.gz DUKNXIWGMOSCBW-UHFFFAOYSA-N 2 0 344.459 1.578 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CCOCC1 ZINC000638539346 451566828 /nfs/dbraw/zinc/56/68/28/451566828.db2.gz OCDAHQWRFQOYSA-INIZCTEOSA-N 2 0 349.450 1.662 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C(F)(F)F ZINC000638552235 451573096 /nfs/dbraw/zinc/57/30/96/451573096.db2.gz YBIZOSYXRGVFNM-ZVLQPQRZSA-N 2 0 333.398 1.893 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000638559509 451576687 /nfs/dbraw/zinc/57/66/87/451576687.db2.gz AQDAEUNDSKHQCR-BNOWGMLFSA-N 2 0 345.365 1.681 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000636203741 451582049 /nfs/dbraw/zinc/58/20/49/451582049.db2.gz YNLIKNBJMQRGML-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H](C[NH3+])c2ccccc2)CC1 ZINC000638601926 451599173 /nfs/dbraw/zinc/59/91/73/451599173.db2.gz JCQMFFFWJUXAAL-KRWDZBQOSA-N 2 0 331.460 1.442 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000638602039 451600693 /nfs/dbraw/zinc/60/06/93/451600693.db2.gz JYVQBHOEGVJMRS-GOSISDBHSA-N 2 0 343.471 1.587 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634995771 451641970 /nfs/dbraw/zinc/64/19/70/451641970.db2.gz OKIGGBLGHMOQLY-UHFFFAOYSA-N 2 0 343.471 1.570 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCCC[NH2+]1 ZINC000638800635 451694643 /nfs/dbraw/zinc/69/46/43/451694643.db2.gz OBJCKFHJBAWNHR-AZUAARDMSA-N 2 0 345.487 1.783 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000638837057 451706164 /nfs/dbraw/zinc/70/61/64/451706164.db2.gz XMDBEVOMUWSAGJ-NEWSRXKRSA-N 2 0 345.487 1.639 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC[C@H](CC[NH3+])C3)cn2)CC1 ZINC000632961496 451670309 /nfs/dbraw/zinc/67/03/09/451670309.db2.gz RVCVGBYUUFEKPG-CQSZACIVSA-N 2 0 334.468 1.743 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139397 451738555 /nfs/dbraw/zinc/73/85/55/451738555.db2.gz JYQAULOTGBSQBQ-ILXRZTDVSA-N 2 0 338.452 1.075 20 0 EDADRP CC[C@@H](C)[NH2+][C@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000637139400 451739258 /nfs/dbraw/zinc/73/92/58/451739258.db2.gz JYQAULOTGBSQBQ-QLFBSQMISA-N 2 0 338.452 1.075 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CCC[C@H]4C[NH2+]CC[C@@H]43)ccn2)CC1 ZINC000639025405 451754146 /nfs/dbraw/zinc/75/41/46/451754146.db2.gz RMUNKXODFMQOJN-IRXDYDNUSA-N 2 0 343.475 1.048 20 0 EDADRP [NH3+]C[C@@H](O)CCc1cn(Cc2cccc(C[NH+]3CCCCC3)c2)nn1 ZINC000641180077 451770991 /nfs/dbraw/zinc/77/09/91/451770991.db2.gz ZYZLWBRDRUFVJN-IBGZPJMESA-N 2 0 343.475 1.565 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000639170317 451784791 /nfs/dbraw/zinc/78/47/91/451784791.db2.gz SUTOHLSPNPEJBB-AWEZNQCLSA-N 2 0 331.526 1.557 20 0 EDADRP COc1cc(F)cc(OC)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000639172070 451784817 /nfs/dbraw/zinc/78/48/17/451784817.db2.gz HZAOGJYNMJXGBP-UHFFFAOYSA-N 2 0 327.444 1.768 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000644539337 451851076 /nfs/dbraw/zinc/85/10/76/451851076.db2.gz CBAWUHZLNBQQBX-QZTJIDSGSA-N 2 0 333.476 1.157 20 0 EDADRP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000639500300 451905364 /nfs/dbraw/zinc/90/53/64/451905364.db2.gz NGAFRVPCMBZYOD-DOTOQJQBSA-N 2 0 339.524 1.827 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000642684811 451915896 /nfs/dbraw/zinc/91/58/96/451915896.db2.gz TUUJAJGHEQVVKC-HUUCEWRRSA-N 2 0 346.475 1.141 20 0 EDADRP O=C(Cc1cn2c(n1)CCCC2)N[C@@H]1CCN(c2ccccn2)C1 ZINC000651568935 451923555 /nfs/dbraw/zinc/92/35/55/451923555.db2.gz CIFUAPPBWDSIGT-CQSZACIVSA-N 2 0 325.416 1.552 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC[NH2+]CC3(C)C)c2)CC1 ZINC000649273801 451946764 /nfs/dbraw/zinc/94/67/64/451946764.db2.gz IRNCIPZDWGYYLS-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)CCCCCC1 ZINC000649280436 451952739 /nfs/dbraw/zinc/95/27/39/451952739.db2.gz UEJUTBOPWQWUQM-AWEZNQCLSA-N 2 0 334.468 1.197 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)c1cccc(OC)c1 ZINC000649282842 451956091 /nfs/dbraw/zinc/95/60/91/451956091.db2.gz LJOJPSUXUOYTRU-SJLPKXTDSA-N 2 0 349.475 1.430 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cn([C@H]2CC[NH2+]C2)nn1)CC(C)C ZINC000649285351 451959474 /nfs/dbraw/zinc/95/94/74/451959474.db2.gz QCGOPBPDMUAOBZ-LSDHHAIUSA-N 2 0 336.484 1.299 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@]2(N)CC[NH+](C)C2)C1 ZINC000649288428 451963364 /nfs/dbraw/zinc/96/33/64/451963364.db2.gz PIBCTQPRNNTBTK-OXQOHEQNSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC[NH+]1CCC1 ZINC000637608586 451971190 /nfs/dbraw/zinc/97/11/90/451971190.db2.gz WNPCLTCURYWHHN-FUHWJXTLSA-N 2 0 330.476 1.759 20 0 EDADRP CN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000649300805 451978093 /nfs/dbraw/zinc/97/80/93/451978093.db2.gz PGMCOBWWCSLPSP-QZTJIDSGSA-N 2 0 331.460 1.345 20 0 EDADRP COc1cc(CNC(=O)[C@]2(C)CCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000649302107 451978209 /nfs/dbraw/zinc/97/82/09/451978209.db2.gz WZAVVYWHODFFIN-SFHVURJKSA-N 2 0 335.448 1.394 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1C[NH2+]CCOC1 ZINC000649305320 451981420 /nfs/dbraw/zinc/98/14/20/451981420.db2.gz MMJUIJBWQZSVFS-MSOLQXFVSA-N 2 0 331.460 1.393 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[NH2+]CCC2(F)F)c1 ZINC000649306190 451983399 /nfs/dbraw/zinc/98/33/99/451983399.db2.gz FIQBWIRLABFFOP-HNNXBMFYSA-N 2 0 325.403 1.999 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)cnn1C ZINC000649318907 451998044 /nfs/dbraw/zinc/99/80/44/451998044.db2.gz URCCNVQWFIKPOA-ZZCKCESHSA-N 2 0 347.507 1.411 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cnn1C ZINC000649326780 452006207 /nfs/dbraw/zinc/00/62/07/452006207.db2.gz IFYWCFSHOWXIHC-VSZNYVQBSA-N 2 0 345.491 1.117 20 0 EDADRP Cn1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c([C@H]2CCC[NH2+]C2)n1 ZINC000649326543 452007319 /nfs/dbraw/zinc/00/73/19/452007319.db2.gz BJHXVSSOXRVBAD-UAGQMJEPSA-N 2 0 345.491 1.586 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@H]2C[NH2+]C[C@@H]2c2cnn(C)c2C)CC1 ZINC000649331980 452013457 /nfs/dbraw/zinc/01/34/57/452013457.db2.gz LRTMQOJIBCZILJ-MSOLQXFVSA-N 2 0 347.507 1.270 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1C[NH2+]CCOC1 ZINC000649332760 452014659 /nfs/dbraw/zinc/01/46/59/452014659.db2.gz BZYNVUVAUNIBJB-QBUWPKIASA-N 2 0 343.471 1.534 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000649345594 452026259 /nfs/dbraw/zinc/02/62/59/452026259.db2.gz GPIPGRXSDWIROD-OAGGEKHMSA-N 2 0 346.479 1.292 20 0 EDADRP COc1ccccc1C(=O)N1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000643056800 452028469 /nfs/dbraw/zinc/02/84/69/452028469.db2.gz MDXVZNHFXRVTJT-INIZCTEOSA-N 2 0 331.460 1.843 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@]2(N)CC[NH+](C)C2)CC1 ZINC000649378638 452051711 /nfs/dbraw/zinc/05/17/11/452051711.db2.gz PUPYQSLPQHXZOJ-VQIMIIECSA-N 2 0 336.524 1.523 20 0 EDADRP c1ccc(N2CC[NH+](C[C@@H]3CCCN(C[C@H]4CC[NH2+]C4)C3)CC2)nc1 ZINC000649414723 452076805 /nfs/dbraw/zinc/07/68/05/452076805.db2.gz SRBXOTFMHOFVFR-OALUTQOASA-N 2 0 343.519 1.525 20 0 EDADRP [NH3+][C@@H](C(=O)NCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000637799309 452089021 /nfs/dbraw/zinc/08/90/21/452089021.db2.gz XSYAXTQBJHMGEH-CQSZACIVSA-N 2 0 344.381 1.117 20 0 EDADRP COc1cccc(COC[C@H](O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759950 452098136 /nfs/dbraw/zinc/09/81/36/452098136.db2.gz ORCDMOPGDAERAW-GOSISDBHSA-N 2 0 348.487 1.990 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000637856233 452115812 /nfs/dbraw/zinc/11/58/12/452115812.db2.gz JLRJRMHWAMMHQC-LJQANCHMSA-N 2 0 344.503 1.436 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC[NH2+]C2CCCCCC2)c1 ZINC000637856110 452116572 /nfs/dbraw/zinc/11/65/72/452116572.db2.gz WEFINIWXAQWWKI-SFHVURJKSA-N 2 0 333.476 1.994 20 0 EDADRP CN1Cc2ccccc2[C@@H](NC(=O)N2CCC[C@H]3C[N@H+](C)C[C@H]32)C1 ZINC000645021510 452117689 /nfs/dbraw/zinc/11/76/89/452117689.db2.gz RSHXTOXQXFROHX-RYQLBKOJSA-N 2 0 328.460 1.909 20 0 EDADRP O=S(=O)(CCn1ccnc1)NC[C@H]1CCN1Cc1ccccc1 ZINC000641620202 452140677 /nfs/dbraw/zinc/14/06/77/452140677.db2.gz PKVKUSLFNKRACK-MRXNPFEDSA-N 2 0 334.445 1.077 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000654013269 452203941 /nfs/dbraw/zinc/20/39/41/452203941.db2.gz YRHBLBFENLCOHE-HZPDHXFCSA-N 2 0 334.468 1.583 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000643454568 452230929 /nfs/dbraw/zinc/23/09/29/452230929.db2.gz IJSHWPXYRNFKGS-CVEARBPZSA-N 2 0 325.478 1.343 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N2CCOC3(CC[NH+](C)CC3)C2)CC1 ZINC000645241591 452231154 /nfs/dbraw/zinc/23/11/54/452231154.db2.gz NUBXHHTVCIWLNF-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000643455478 452232521 /nfs/dbraw/zinc/23/25/21/452232521.db2.gz JYGUAGDYDPFDPV-CEXWTWQISA-N 2 0 338.540 1.293 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(OCc2ccccn2)cc1 ZINC000647492662 452235615 /nfs/dbraw/zinc/23/56/15/452235615.db2.gz RDAGXDCFFSHKLC-UHFFFAOYSA-N 2 0 340.471 1.998 20 0 EDADRP O=C(C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)NC1CCCC1 ZINC000643469729 452236489 /nfs/dbraw/zinc/23/64/89/452236489.db2.gz GFHMDZNUQZQXGA-LPHOPBHVSA-N 2 0 329.444 1.891 20 0 EDADRP COCC1(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)CC[NH2+]CC1 ZINC000641766508 452242778 /nfs/dbraw/zinc/24/27/78/452242778.db2.gz MIBMFIDICPXTFU-MRXNPFEDSA-N 2 0 338.496 1.130 20 0 EDADRP C[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000659424208 452265860 /nfs/dbraw/zinc/26/58/60/452265860.db2.gz AEDPKMUPYVJBCZ-IAGOWNOFSA-N 2 0 334.439 1.665 20 0 EDADRP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)o1 ZINC000647541256 452275218 /nfs/dbraw/zinc/27/52/18/452275218.db2.gz UZUTUJWESAMAIP-INIZCTEOSA-N 2 0 329.448 1.468 20 0 EDADRP C[C@H](CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000655487878 452285105 /nfs/dbraw/zinc/28/51/05/452285105.db2.gz OOCCLJRUGSWLMO-QXSJWSMHSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1CCO ZINC000661497402 452296875 /nfs/dbraw/zinc/29/68/75/452296875.db2.gz IVVUNPCOZOPKOR-QRQLOZEOSA-N 2 0 347.503 1.888 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000652119535 452315388 /nfs/dbraw/zinc/31/53/88/452315388.db2.gz JOTLTKPBLISMFP-UXLLHSPISA-N 2 0 338.496 1.399 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000659465244 452318812 /nfs/dbraw/zinc/31/88/12/452318812.db2.gz NUHLLJCOVNZQEQ-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)N[C@H]2CC[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000659472418 452330765 /nfs/dbraw/zinc/33/07/65/452330765.db2.gz HYQSPMKAAQIGNL-NJAFHUGGSA-N 2 0 330.476 1.948 20 0 EDADRP CCO[C@@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652136754 452331410 /nfs/dbraw/zinc/33/14/10/452331410.db2.gz XYXQUPPWINKTJK-KONPQCLYSA-N 2 0 340.512 1.502 20 0 EDADRP COC[C@@]1(C(=O)NCCC[N@H+](C)Cc2ccccc2)CCCC[NH2+]1 ZINC000638053251 452331518 /nfs/dbraw/zinc/33/15/18/452331518.db2.gz IXSCOSPLNRFPET-LJQANCHMSA-N 2 0 333.476 1.783 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000647594590 452333340 /nfs/dbraw/zinc/33/33/40/452333340.db2.gz UZFRHMUNOIKEQU-LSDHHAIUSA-N 2 0 346.475 1.141 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCc2cccc(C[N@H+](C)CC)c2)C[C@H]1C[NH3+] ZINC000652141953 452335698 /nfs/dbraw/zinc/33/56/98/452335698.db2.gz DKAWNTPNYNDBOG-QZTJIDSGSA-N 2 0 348.491 1.644 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000641893786 452339610 /nfs/dbraw/zinc/33/96/10/452339610.db2.gz IFIXOTVZKLDFPP-IXDOHACOSA-N 2 0 338.496 1.127 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)cc1 ZINC000638056450 452341060 /nfs/dbraw/zinc/34/10/60/452341060.db2.gz YYICYWBWGHGIGB-MJGOQNOKSA-N 2 0 333.476 1.912 20 0 EDADRP CC[C@H](C)[NH2+][C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)c1ccco1 ZINC000659492706 452355832 /nfs/dbraw/zinc/35/58/32/452355832.db2.gz QKCZYELPFDKVHY-DGAVXFQQSA-N 2 0 326.416 1.790 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000638064384 452364607 /nfs/dbraw/zinc/36/46/07/452364607.db2.gz SXISYFZXBLBPIP-AZUAARDMSA-N 2 0 345.487 1.577 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)C1 ZINC000638064714 452364816 /nfs/dbraw/zinc/36/48/16/452364816.db2.gz VYYFKSPJGDWBRF-JCGIZDLHSA-N 2 0 331.460 1.651 20 0 EDADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000663629127 452367007 /nfs/dbraw/zinc/36/70/07/452367007.db2.gz NOVBQTOPBVFRIW-DLBZAZTESA-N 2 0 341.544 1.432 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000638066156 452369911 /nfs/dbraw/zinc/36/99/11/452369911.db2.gz DMFOQRMPGCBRPD-MJGOQNOKSA-N 2 0 347.459 1.349 20 0 EDADRP COC[C@@]1(C(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCC[NH2+]1 ZINC000638070575 452376129 /nfs/dbraw/zinc/37/61/29/452376129.db2.gz RRRNMSAWHPQGCU-HXUWFJFHSA-N 2 0 345.487 1.710 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2C[C@@H]3CCC[C@]3(C[NH3+])C2)CCCO1 ZINC000652183102 452378691 /nfs/dbraw/zinc/37/86/91/452378691.db2.gz OLZBCFWVVKYSOD-RYRKJORJSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NCCN(C)CCC[NH+](C)C ZINC000663640406 452382802 /nfs/dbraw/zinc/38/28/02/452382802.db2.gz DTHFGYVDNTWWEK-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659523857 452387531 /nfs/dbraw/zinc/38/75/31/452387531.db2.gz XUDJBUPQNJCMFW-ROUUACIJSA-N 2 0 348.491 1.426 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)c2ccccc2)CC1 ZINC000638076707 452390865 /nfs/dbraw/zinc/39/08/65/452390865.db2.gz MFHUYMRJQCJQMU-ICSRJNTNSA-N 2 0 345.487 1.954 20 0 EDADRP O=C(CN1CC[NH2+]CC1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000638079327 452395325 /nfs/dbraw/zinc/39/53/25/452395325.db2.gz SDIOCRFLYGMYNI-UHFFFAOYSA-N 2 0 330.476 1.559 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659537520 452396317 /nfs/dbraw/zinc/39/63/17/452396317.db2.gz SGRODTHHUSBTRP-PBHICJAKSA-N 2 0 338.496 1.175 20 0 EDADRP CC1(CNC(=O)N2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)CC[NH2+]CC1 ZINC000652212490 452406232 /nfs/dbraw/zinc/40/62/32/452406232.db2.gz CRBAAGHSTVLVEO-HRCADAONSA-N 2 0 338.496 1.304 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000659558028 452415144 /nfs/dbraw/zinc/41/51/44/452415144.db2.gz BFKLAHZVKKYCGN-SFHVURJKSA-N 2 0 348.491 1.658 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000645452129 452419043 /nfs/dbraw/zinc/41/90/43/452419043.db2.gz HDQNYJYZOVYFOK-PKOBYXMFSA-N 2 0 344.503 1.309 20 0 EDADRP C[C@@H]1CN(C[C@H]2CCCN2C(=O)NCC2([NH3+])CCCC2)C[C@H](C)O1 ZINC000659572554 452427176 /nfs/dbraw/zinc/42/71/76/452427176.db2.gz XLRZNOJFWCWFNU-OWCLPIDISA-N 2 0 338.496 1.541 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000659576942 452431942 /nfs/dbraw/zinc/43/19/42/452431942.db2.gz GYUQBLXYQIQJNG-QZTJIDSGSA-N 2 0 330.476 1.868 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000659587038 452442573 /nfs/dbraw/zinc/44/25/73/452442573.db2.gz MNGOTJNIAJFEGE-SZMVWBNQSA-N 2 0 346.475 1.534 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000659587454 452444056 /nfs/dbraw/zinc/44/40/56/452444056.db2.gz DZOAKQZGAAKIKM-PVAVHDDUSA-N 2 0 332.448 1.273 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NC2CC[NH+](CCOC)CC2)CC1 ZINC000654404699 452456219 /nfs/dbraw/zinc/45/62/19/452456219.db2.gz WNYAYOFRTFSNSB-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC3(CC[NH2+]CC3)CC2)c(F)c1 ZINC000652268949 452456767 /nfs/dbraw/zinc/45/67/67/452456767.db2.gz QYTBAZHHOQUBNG-UHFFFAOYSA-N 2 0 334.439 1.960 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)C[NH+]1CCCC1 ZINC000663736231 452470746 /nfs/dbraw/zinc/47/07/46/452470746.db2.gz JUSRYLOLGLLZCM-SJORKVTESA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000659621407 452478601 /nfs/dbraw/zinc/47/86/01/452478601.db2.gz DMYQRIFUNHEBEV-ZACQAIPSSA-N 2 0 339.528 1.027 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)CC3([NH3+])CCC3)cn2)CC1 ZINC000645531850 452500155 /nfs/dbraw/zinc/50/01/55/452500155.db2.gz DAUVZQXCJFKQNY-UHFFFAOYSA-N 2 0 331.464 1.111 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CC(=O)NCC3CCCCC3)C2)C1 ZINC000652345640 452519196 /nfs/dbraw/zinc/51/91/96/452519196.db2.gz HHEXXLFJVCZSDN-RCCFBDPRSA-N 2 0 337.508 1.901 20 0 EDADRP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647794267 452527113 /nfs/dbraw/zinc/52/71/13/452527113.db2.gz WLBGJOOCXOMDKF-HCXYKTFWSA-N 2 0 345.487 1.338 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCC(=O)Nc2cccnc2)C1 ZINC000652363777 452544074 /nfs/dbraw/zinc/54/40/74/452544074.db2.gz NECVDVHBZBASAJ-OIISXLGYSA-N 2 0 332.448 1.771 20 0 EDADRP COc1cc(NC(=O)CC[N@H+](C)CCC[NH3+])c(OC)cc1Cl ZINC000647848461 452582543 /nfs/dbraw/zinc/58/25/43/452582543.db2.gz SEPNGLXATZAKLZ-UHFFFAOYSA-N 2 0 329.828 1.966 20 0 EDADRP c1ccc(-c2noc(C3CC[NH+](CCN4CC[NH2+]CC4)CC3)n2)cc1 ZINC000647884395 452623365 /nfs/dbraw/zinc/62/33/65/452623365.db2.gz KZMGKQWQOLAQDA-UHFFFAOYSA-N 2 0 341.459 1.821 20 0 EDADRP COc1ccc(C2([NH2+]CCC(=O)N3CC[NH2+]CC3)CCOCC2)cc1 ZINC000647892286 452633242 /nfs/dbraw/zinc/63/32/42/452633242.db2.gz NXXAILAANYYTIA-UHFFFAOYSA-N 2 0 347.459 1.112 20 0 EDADRP CC[C@H]1CN(C)CCN1C(=O)C(=O)Nc1ccn2cc(C)nc2c1 ZINC000657972242 452650776 /nfs/dbraw/zinc/65/07/76/452650776.db2.gz BEMKBNQIONOAEK-AWEZNQCLSA-N 2 0 329.404 1.134 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000652612609 452771570 /nfs/dbraw/zinc/77/15/70/452771570.db2.gz XDDIQVUFDNIEAH-HUUCEWRRSA-N 2 0 334.468 1.298 20 0 EDADRP CC(=O)NCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000648063141 452791158 /nfs/dbraw/zinc/79/11/58/452791158.db2.gz SUMUSDSLPOGVIY-UHFFFAOYSA-N 2 0 332.492 1.785 20 0 EDADRP CC(C)[C@H]([NH3+])CC(=O)N(Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000648118586 452835485 /nfs/dbraw/zinc/83/54/85/452835485.db2.gz SPQNOQNVXRPTEL-HUUCEWRRSA-N 2 0 333.480 1.264 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000654734988 452860569 /nfs/dbraw/zinc/86/05/69/452860569.db2.gz OBZLTHSUDSFALB-BBWFWOEESA-N 2 0 338.496 1.149 20 0 EDADRP CO[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)[C@@H]1CCOC1 ZINC000659973772 452878852 /nfs/dbraw/zinc/87/88/52/452878852.db2.gz HDOUQJXQJMSQCM-AEFFLSMTSA-N 2 0 326.481 1.615 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000648190315 452899771 /nfs/dbraw/zinc/89/97/71/452899771.db2.gz QOOQZLVYZZMQSF-IMSIIYSGSA-N 2 0 328.254 1.865 20 0 EDADRP CC(C)[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000656198817 452955326 /nfs/dbraw/zinc/95/53/26/452955326.db2.gz ZNPAEUYINJWGAE-CPUCHLNUSA-N 2 0 348.495 1.067 20 0 EDADRP CC(C)[N@@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249386 452975307 /nfs/dbraw/zinc/97/53/07/452975307.db2.gz LVWVSZRGNREGNF-MRXNPFEDSA-N 2 0 335.423 1.996 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000666604652 453003566 /nfs/dbraw/zinc/00/35/66/453003566.db2.gz SUHVCMCDEHIQAP-UHFFFAOYSA-N 2 0 332.448 1.466 20 0 EDADRP c1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662282791 453008166 /nfs/dbraw/zinc/00/81/66/453008166.db2.gz QTONWDPWRZVCKK-MSOLQXFVSA-N 2 0 331.460 1.171 20 0 EDADRP COc1ccnc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1OC ZINC000662282158 453008318 /nfs/dbraw/zinc/00/83/18/453008318.db2.gz STEIEQCAFFFTLJ-PBHICJAKSA-N 2 0 335.448 1.817 20 0 EDADRP CC(C)CCOCCNC(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298183 453020843 /nfs/dbraw/zinc/02/08/43/453020843.db2.gz UTWWZMWQLIPSBM-GOSISDBHSA-N 2 0 339.524 1.877 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315408 453031803 /nfs/dbraw/zinc/03/18/03/453031803.db2.gz FGRJMAJEBSNMCK-CVEARBPZSA-N 2 0 334.464 1.425 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](N(C)C(=O)N(C)C)C2)cc1 ZINC000662315414 453032342 /nfs/dbraw/zinc/03/23/42/453032342.db2.gz FGRJMAJEBSNMCK-JKSUJKDBSA-N 2 0 334.464 1.425 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C[N@@H+]1C1CC1 ZINC000664367869 453038057 /nfs/dbraw/zinc/03/80/57/453038057.db2.gz MUXCXTDSYQDHHO-HLLBOEOZSA-N 2 0 338.496 1.364 20 0 EDADRP Cc1ncc(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000662338944 453057283 /nfs/dbraw/zinc/05/72/83/453057283.db2.gz XMNDQTFCAMVRBR-AWEZNQCLSA-N 2 0 346.504 1.964 20 0 EDADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000644153830 453085492 /nfs/dbraw/zinc/08/54/92/453085492.db2.gz VQZWCSYQWPSKHC-CVEARBPZSA-N 2 0 337.414 1.964 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662382434 453093382 /nfs/dbraw/zinc/09/33/82/453093382.db2.gz LDZSOJSOVPHHOS-KRWDZBQOSA-N 2 0 333.476 1.763 20 0 EDADRP O=C([C@H]1C[NH2+]Cc2ccccc21)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000646087613 453096607 /nfs/dbraw/zinc/09/66/07/453096607.db2.gz FNBUTOIIZXBUGJ-YJBOKZPZSA-N 2 0 329.444 1.054 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CC1C[NH+](C)C1 ZINC000658540261 453096963 /nfs/dbraw/zinc/09/69/63/453096963.db2.gz STSAOZGXZDZPDH-UHFFFAOYSA-N 2 0 332.448 1.015 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CCOCC3)CC1 ZINC000646100178 453101215 /nfs/dbraw/zinc/10/12/15/453101215.db2.gz PAXNWQURYUODTQ-MRXNPFEDSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662406241 453118445 /nfs/dbraw/zinc/11/84/45/453118445.db2.gz DPWDFFXKQFCVGC-QLFBSQMISA-N 2 0 348.495 1.299 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000666759848 453123131 /nfs/dbraw/zinc/12/31/31/453123131.db2.gz ISGVESNSLITTHD-QGZVFWFLSA-N 3 0 341.544 1.242 20 0 EDADRP C[C@@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000666770768 453135326 /nfs/dbraw/zinc/13/53/26/453135326.db2.gz VRNPMZBGNSRDJJ-MLGOLLRUSA-N 2 0 330.432 1.245 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cnnn2C2CC[NH2+]CC2)cc1 ZINC000662429957 453137934 /nfs/dbraw/zinc/13/79/34/453137934.db2.gz MBIXLNJSULVBES-LBPRGKRZSA-N 2 0 328.420 1.152 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662449677 453157041 /nfs/dbraw/zinc/15/70/41/453157041.db2.gz PPAQWIHLNVYRSH-MAUKXSAKSA-N 2 0 344.503 1.431 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)C1 ZINC000662452851 453161725 /nfs/dbraw/zinc/16/17/25/453161725.db2.gz PQUAALQKMWGJRM-SJORKVTESA-N 2 0 331.460 1.516 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660281697 453170878 /nfs/dbraw/zinc/17/08/78/453170878.db2.gz YWKDCFLLVUGJRY-KRWDZBQOSA-N 2 0 336.480 1.166 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000666889033 453215701 /nfs/dbraw/zinc/21/57/01/453215701.db2.gz KATYWXHZKPBHDJ-UHFFFAOYSA-N 2 0 344.415 1.267 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+](C)C2CCN(C)CC2)C1 ZINC000666926340 453253676 /nfs/dbraw/zinc/25/36/76/453253676.db2.gz NULCFBQXJWMANR-MRXNPFEDSA-N 3 0 339.528 1.138 20 0 EDADRP CC[C@@H](CNC(=O)[C@H](N)CC[NH+](C)C)[N@@H+]1CCc2ccccc2C1 ZINC000653110069 453294835 /nfs/dbraw/zinc/29/48/35/453294835.db2.gz WUHRXTWPULNCGO-ZWKOTPCHSA-N 2 0 332.492 1.219 20 0 EDADRP O=C(Nc1nc(C2CC[NH2+]CC2)cs1)c1cn[nH]c1[C@H]1CC[NH2+]C1 ZINC000662571897 453297980 /nfs/dbraw/zinc/29/79/80/453297980.db2.gz SDELBIHERDYWJS-NSHDSACASA-N 2 0 346.460 1.662 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000653114520 453300552 /nfs/dbraw/zinc/30/05/52/453300552.db2.gz LLNABGIIUSACAC-HNNXBMFYSA-N 2 0 333.480 1.410 20 0 EDADRP O=C([C@H]1CC[C@@H](C2CC2)[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000653122072 453313058 /nfs/dbraw/zinc/31/30/58/453313058.db2.gz KRYSCIVYQHZONL-ZWKOTPCHSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662586799 453314415 /nfs/dbraw/zinc/31/44/15/453314415.db2.gz OCRQKBRAJBFWHU-HNNXBMFYSA-N 2 0 346.479 1.054 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000653123406 453314721 /nfs/dbraw/zinc/31/47/21/453314721.db2.gz XMUAMXVUGYREFS-GJZGRUSLSA-N 2 0 326.872 1.338 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)c2cc(C3CC[NH2+]CC3)no2)C1 ZINC000662589335 453315046 /nfs/dbraw/zinc/31/50/46/453315046.db2.gz AZXBJURGFZLRDI-CYBMUJFWSA-N 2 0 334.464 1.992 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)c3ccccc3CC[NH3+])CC2)C1 ZINC000653125340 453319482 /nfs/dbraw/zinc/31/94/82/453319482.db2.gz WPZMYNQEQCCYFX-KRWDZBQOSA-N 2 0 330.476 1.040 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@@H+]1C ZINC000648842517 453322855 /nfs/dbraw/zinc/32/28/55/453322855.db2.gz AHEREHBHEQOJPQ-OWYHZJEWSA-N 2 0 345.487 1.326 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000646367713 453350283 /nfs/dbraw/zinc/35/02/83/453350283.db2.gz CPTQJYOEMPZGPV-INIZCTEOSA-N 2 0 330.476 1.874 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC000664758519 453379899 /nfs/dbraw/zinc/37/98/99/453379899.db2.gz OQQHDRFSKDDXOL-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP [NH3+]C[C@H]1OCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000662669266 453382067 /nfs/dbraw/zinc/38/20/67/453382067.db2.gz ODZFTXSDKHXAQU-ZWKOTPCHSA-N 2 0 331.460 1.653 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C(C)C)C2)c1 ZINC000667095358 453401810 /nfs/dbraw/zinc/40/18/10/453401810.db2.gz FALJEAPBPVZGQU-INIZCTEOSA-N 2 0 332.448 1.334 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000662690490 453410635 /nfs/dbraw/zinc/41/06/35/453410635.db2.gz ABKDQXWSTJMUFI-SQNIBIBYSA-N 2 0 331.460 1.379 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662691457 453412896 /nfs/dbraw/zinc/41/28/96/453412896.db2.gz RRBNOTSVEFCIRA-AWEZNQCLSA-N 2 0 330.432 1.771 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662736383 453462848 /nfs/dbraw/zinc/46/28/48/453462848.db2.gz SIIJQQJMELQOAE-HOTGVXAUSA-N 2 0 348.495 1.587 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CCO[C@H]3C[NH3+])CC2)CC1 ZINC000662749166 453479856 /nfs/dbraw/zinc/47/98/56/453479856.db2.gz HNSFSHWQBOZROV-HIEASXQVSA-N 2 0 337.508 1.709 20 0 EDADRP CC[NH+]1CCN(CCCNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662757838 453495501 /nfs/dbraw/zinc/49/55/01/453495501.db2.gz OENXOJOIJHUKPL-UHFFFAOYSA-N 2 0 330.476 1.090 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C1 ZINC000660705656 453533067 /nfs/dbraw/zinc/53/30/67/453533067.db2.gz IVFDPAXXUNWYGJ-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2C[C@]23CCC[NH2+]C3)cc1 ZINC000655446911 453534169 /nfs/dbraw/zinc/53/41/69/453534169.db2.gz NBZAUJCLFPYRDV-ICSRJNTNSA-N 2 0 345.487 1.675 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000662814449 453546629 /nfs/dbraw/zinc/54/66/29/453546629.db2.gz PJCYNIPMHBBNBZ-QGZVFWFLSA-N 2 0 340.427 1.928 20 0 EDADRP CCC[C@H]1CN(C(=O)C[C@@H](C[NH3+])CC(C)C)CC[N@@H+]1CCOC ZINC000662826162 453553844 /nfs/dbraw/zinc/55/38/44/453553844.db2.gz VHYVYAKAULOAGD-IRXDYDNUSA-N 2 0 327.513 1.957 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)c(F)c1 ZINC000662829962 453555992 /nfs/dbraw/zinc/55/59/92/453555992.db2.gz QLPDWRQXQFANHO-AWEZNQCLSA-N 2 0 346.410 1.121 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000662830287 453556732 /nfs/dbraw/zinc/55/67/32/453556732.db2.gz JVSFDTWTSQACEJ-NXOAAHMSSA-N 2 0 325.497 1.885 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662833308 453559981 /nfs/dbraw/zinc/55/99/81/453559981.db2.gz NIKZJMVDTLFWFH-HNNXBMFYSA-N 2 0 334.468 1.151 20 0 EDADRP O=C(c1ccc2c(c1)C[NH2+]C2)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662833990 453561016 /nfs/dbraw/zinc/56/10/16/453561016.db2.gz XHVPVFVKQVUGRA-GOSISDBHSA-N 2 0 329.444 1.617 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)NC[C@H]2CC[N@@H+]2Cc2ccccc2)CC1 ZINC000667329231 453562676 /nfs/dbraw/zinc/56/26/76/453562676.db2.gz CQERTZKILJSZOE-QGZVFWFLSA-N 2 0 346.475 1.017 20 0 EDADRP O=C(N1CCC([C@H]2CCC[NH2+]C2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662838858 453564820 /nfs/dbraw/zinc/56/48/20/453564820.db2.gz LEAGBWUQDCFIBZ-ZFWWWQNUSA-N 2 0 333.398 1.767 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)cc1 ZINC000658993045 453571362 /nfs/dbraw/zinc/57/13/62/453571362.db2.gz QSYWCHXRRUWMMD-HZPDHXFCSA-N 2 0 338.427 1.920 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000658995923 453572201 /nfs/dbraw/zinc/57/22/01/453572201.db2.gz CAZVXELAKUDHDJ-MRXNPFEDSA-N 2 0 348.495 1.688 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662866008 453578372 /nfs/dbraw/zinc/57/83/72/453578372.db2.gz YWHCLPCULAJRPA-ZQIUZPCESA-N 2 0 349.425 1.916 20 0 EDADRP C[NH+](C)C1(C(=O)NCc2ccccc2OCCN2CCOCC2)CC1 ZINC000667369055 453579155 /nfs/dbraw/zinc/57/91/55/453579155.db2.gz IIMFVWBBWPDGIJ-UHFFFAOYSA-N 2 0 347.459 1.108 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000662866562 453579604 /nfs/dbraw/zinc/57/96/04/453579604.db2.gz NAROQFXHNYYJJX-BBWFWOEESA-N 2 0 331.435 1.777 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000660822797 453587525 /nfs/dbraw/zinc/58/75/25/453587525.db2.gz AFMAGBXFVFHYBW-NVXWUHKLSA-N 2 0 342.553 1.843 20 0 EDADRP CN(C(=O)C[C@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899870 453593749 /nfs/dbraw/zinc/59/37/49/453593749.db2.gz HJMCPVLGCGUXQZ-OALUTQOASA-N 2 0 344.503 1.703 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc1 ZINC000662899448 453593958 /nfs/dbraw/zinc/59/39/58/453593958.db2.gz DCVPKGWIIMWKJW-DNVCBOLYSA-N 2 0 344.503 1.947 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900993 453595228 /nfs/dbraw/zinc/59/52/28/453595228.db2.gz RAMIRQCNHGRDNM-FUHWJXTLSA-N 2 0 338.540 1.624 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000660854576 453612147 /nfs/dbraw/zinc/61/21/47/453612147.db2.gz ZIFYMDSOSSNYPD-IRXDYDNUSA-N 2 0 339.528 1.042 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)CC[C@H]1F ZINC000662944876 453619352 /nfs/dbraw/zinc/61/93/52/453619352.db2.gz VYWHZOLEDLZLPS-IAGOWNOFSA-N 2 0 334.439 1.096 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CCO1 ZINC000662973232 453631825 /nfs/dbraw/zinc/63/18/25/453631825.db2.gz QJAHSCJHHMGAPH-IKGGRYGDSA-N 2 0 325.497 1.853 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000665289326 453637249 /nfs/dbraw/zinc/63/72/49/453637249.db2.gz LKQGXXCNUXGCOD-ROUUACIJSA-N 3 0 330.476 1.711 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000661036117 453689023 /nfs/dbraw/zinc/68/90/23/453689023.db2.gz DZRPKKNFZNOQGR-HZPDHXFCSA-N 2 0 339.528 1.184 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)CN1C[C@@H]2[C@H](C1)OCCN2Cc1ccccc1 ZINC000661188869 453751624 /nfs/dbraw/zinc/75/16/24/453751624.db2.gz XDZLVKLNDLPSIO-ZCNNSNEGSA-N 2 0 347.503 1.273 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cnn3c2CCC3)c1 ZINC000657345231 453770323 /nfs/dbraw/zinc/77/03/23/453770323.db2.gz LCQDVKQAOMSFPM-UHFFFAOYSA-N 2 0 341.459 1.411 20 0 EDADRP CS(=O)(=O)[C@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657373210 453777406 /nfs/dbraw/zinc/77/74/06/453777406.db2.gz PZCXGNGAIXLLFM-BBRMVZONSA-N 2 0 334.445 1.713 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2nsc3ccccc23)CC1 ZINC000663368100 453781473 /nfs/dbraw/zinc/78/14/73/453781473.db2.gz WHXSCDYRUSJOFS-CQSZACIVSA-N 2 0 334.489 1.037 20 0 EDADRP c1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)c(N[C@@H]2CC[NH+](C3CC3)C2)n1 ZINC000663424953 453794545 /nfs/dbraw/zinc/79/45/45/453794545.db2.gz KOOLBHHTLLBRPR-ZIAGYGMSSA-N 2 0 328.464 1.774 20 0 EDADRP Cc1c(N2CCC[C@@H]([NH+](C)C)C2)ncnc1N1CCC[C@@H]([NH+](C)C)C1 ZINC000663531654 453817005 /nfs/dbraw/zinc/81/70/05/453817005.db2.gz VZEWMKDKYPVFHA-IAGOWNOFSA-N 2 0 346.523 1.846 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000667559957 486846898 /nfs/dbraw/zinc/84/68/98/486846898.db2.gz XIZYEFAINJHPPI-UONOGXRCSA-N 2 0 332.448 1.320 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000431002365 486900695 /nfs/dbraw/zinc/90/06/95/486900695.db2.gz BUTLJLRQMKHZSY-MSOLQXFVSA-N 2 0 330.476 1.178 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000431016603 486902405 /nfs/dbraw/zinc/90/24/05/486902405.db2.gz WBUFRIDPWGKMPP-MOPGFXCFSA-N 2 0 344.503 1.568 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000681136184 486947975 /nfs/dbraw/zinc/94/79/75/486947975.db2.gz PANGQXVIFCZWHX-MRXNPFEDSA-N 2 0 344.503 1.694 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCSC1 ZINC000667799387 486970199 /nfs/dbraw/zinc/97/01/99/486970199.db2.gz UTMBZSRMCWGRLO-MRXNPFEDSA-N 2 0 335.477 1.286 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000321944527 487024524 /nfs/dbraw/zinc/02/45/24/487024524.db2.gz VRIKHICVSNXRLE-IRXDYDNUSA-N 2 0 326.529 1.386 20 0 EDADRP C[C@H](NC(=O)CC1([NH+]2CCOCC2)CCCC1)C1CC[NH+](C)CC1 ZINC000673671156 487085944 /nfs/dbraw/zinc/08/59/44/487085944.db2.gz VDPGHANWECIIJW-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP O=C(NCc1cnc2n1CCCC2)[C@@H]1CCCN1Cc1ccccn1 ZINC000671922995 487155702 /nfs/dbraw/zinc/15/57/02/487155702.db2.gz QYSDOJGFLRURAH-KRWDZBQOSA-N 2 0 339.443 1.895 20 0 EDADRP CC(C)[NH+](C)CC(=O)N[C@H]1CCC[C@H]1CNC(=O)C[N@@H+](C)C(C)C ZINC000673992381 487179023 /nfs/dbraw/zinc/17/90/23/487179023.db2.gz FLOSYCSODNZIFC-HOTGVXAUSA-N 2 0 340.512 1.068 20 0 EDADRP C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685044888 487220630 /nfs/dbraw/zinc/22/06/30/487220630.db2.gz RVZMCIPDWLKINU-YJBOKZPZSA-N 2 0 331.460 1.775 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000675114104 487379405 /nfs/dbraw/zinc/37/94/05/487379405.db2.gz FSADUQOQLUXFFY-RHSMWYFYSA-N 2 0 329.448 1.396 20 0 EDADRP CN1CCN(C(=O)C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000678921945 487379677 /nfs/dbraw/zinc/37/96/77/487379677.db2.gz JZCAIOJYWAJFKW-SFHVURJKSA-N 2 0 344.503 1.403 20 0 EDADRP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCN(C)S(C)(=O)=O)CC1 ZINC000675746696 487440978 /nfs/dbraw/zinc/44/09/78/487440978.db2.gz MQQFSBURIVHISQ-RDJZCZTQSA-N 2 0 345.553 1.901 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000683136666 487453374 /nfs/dbraw/zinc/45/33/74/487453374.db2.gz BAMUGJWRLSLRDT-AZUAARDMSA-N 2 0 345.487 1.422 20 0 EDADRP O=C(N1CCC2(CC[NH2+]C2)CC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669519895 485485555 /nfs/dbraw/zinc/48/55/55/485485555.db2.gz WWUQOCTYVXVVRM-UHFFFAOYSA-N 2 0 327.472 1.910 20 0 EDADRP O=C(NCC[NH2+]C1CC1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000669524040 485493405 /nfs/dbraw/zinc/49/34/05/485493405.db2.gz WGGFDRIYZVVUSM-UHFFFAOYSA-N 2 0 338.496 1.320 20 0 EDADRP C[C@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669554896 485554558 /nfs/dbraw/zinc/55/45/58/485554558.db2.gz UOBTVUITLIMNMJ-RDJZCZTQSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc2c1OC(F)(F)O2 ZINC000668302772 485581101 /nfs/dbraw/zinc/58/11/01/485581101.db2.gz PCXVKHLYXOSVJN-UHFFFAOYSA-N 2 0 343.374 1.574 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000669132508 485720668 /nfs/dbraw/zinc/72/06/68/485720668.db2.gz SICSCBBTRJRXSN-INIZCTEOSA-N 2 0 334.464 1.568 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000669139210 485728785 /nfs/dbraw/zinc/72/87/85/485728785.db2.gz KXWYEZDFHQGNDZ-IBGZPJMESA-N 2 0 346.475 1.522 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCCC[N@H+](C)C2CCCCC2)CCO1 ZINC000669306369 485951397 /nfs/dbraw/zinc/95/13/97/485951397.db2.gz QGNXBUYDARHOQU-HOCLYGCPSA-N 2 0 326.485 1.399 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000237104899 485953171 /nfs/dbraw/zinc/95/31/71/485953171.db2.gz WWECGJZJETVOMI-UHFFFAOYSA-N 2 0 331.416 1.999 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[C@@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000668644662 485989658 /nfs/dbraw/zinc/98/96/58/485989658.db2.gz BOMUNXXZEGTYBL-RDJZCZTQSA-N 2 0 346.475 1.822 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1CC[NH2+]CC1)[NH+]1CCCCC1 ZINC000669398598 486059482 /nfs/dbraw/zinc/05/94/82/486059482.db2.gz GZCTWXYFMPFYPB-KRWDZBQOSA-N 2 0 346.475 1.837 20 0 EDADRP C[N@H+](C[C@@H](O)CN[C@@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039293 486070388 /nfs/dbraw/zinc/07/03/88/486070388.db2.gz DPIMPZXLFTVBSN-PMACEKPBSA-N 2 0 346.519 1.020 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000669420303 486139135 /nfs/dbraw/zinc/13/91/35/486139135.db2.gz IPQHHGMATCYARH-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000669420471 486140512 /nfs/dbraw/zinc/14/05/12/486140512.db2.gz MSBZZMUUCDXOFU-QZTJIDSGSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2CO)C1 ZINC000570581630 486206190 /nfs/dbraw/zinc/20/61/90/486206190.db2.gz LHJSUGHQPIFCAI-QRQLOZEOSA-N 2 0 345.487 1.327 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCCCCC[NH+]2CCCCC2)CCO1 ZINC000669491611 486264753 /nfs/dbraw/zinc/26/47/53/486264753.db2.gz NTIOWXXRGKIFEY-HZPDHXFCSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cn(CC[NH3+])nn2)CC[N@@H+]1Cc1ccccc1 ZINC000379666812 486636837 /nfs/dbraw/zinc/63/68/37/486636837.db2.gz XQVSIWXMWABAGT-GDBMZVCRSA-N 2 0 342.447 1.020 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)Nc2ccn(CC[NH+](C)C)n2)ccn1 ZINC000136741209 491232279 /nfs/dbraw/zinc/23/22/79/491232279.db2.gz PVUQKRTVDYTVBV-UHFFFAOYSA-N 2 0 346.435 1.032 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657386297 491003666 /nfs/dbraw/zinc/00/36/66/491003666.db2.gz DISWYRSITQXVGZ-FQEVSTJZSA-N 2 0 347.503 1.970 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CCN(c2cc[nH+]cc2)CC1 ZINC000305056052 491007166 /nfs/dbraw/zinc/00/71/66/491007166.db2.gz FBRWJFISCOQMHD-FQEVSTJZSA-N 2 0 340.471 1.697 20 0 EDADRP CN(CCC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1)c1cc[nH+]cc1 ZINC000679409303 491011405 /nfs/dbraw/zinc/01/14/05/491011405.db2.gz YQQJJSJJHWFQFE-GOSISDBHSA-N 2 0 345.491 1.146 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000683377299 491012779 /nfs/dbraw/zinc/01/27/79/491012779.db2.gz ZKSXXBALSSKWQF-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP C[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C[C@@H](O)C1CC1 ZINC000079770321 491168714 /nfs/dbraw/zinc/16/87/14/491168714.db2.gz CCJDUBSGMKOTAY-LJQANCHMSA-N 2 0 345.487 1.601 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000080000322 491170151 /nfs/dbraw/zinc/17/01/51/491170151.db2.gz XJUPZDCDQXNEEJ-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000080099229 491170561 /nfs/dbraw/zinc/17/05/61/491170561.db2.gz YDJYBCTVLUSBIL-HZPDHXFCSA-N 2 0 340.512 1.517 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC2([NH+](C)C)CCCCC2)CC1 ZINC000080055924 491170675 /nfs/dbraw/zinc/17/06/75/491170675.db2.gz YBUQNHNZEGCXHG-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000169027385 533807751 /nfs/dbraw/zinc/80/77/51/533807751.db2.gz DTOBPEBFYLYGRS-UKRRQHHQSA-N 2 0 334.468 1.114 20 0 EDADRP [NH3+]CC1(CC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CCCCC1 ZINC000184239490 534588143 /nfs/dbraw/zinc/58/81/43/534588143.db2.gz ZTMPYBORDQTIFV-MRXNPFEDSA-N 2 0 337.508 1.903 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc1 ZINC000188711742 521802557 /nfs/dbraw/zinc/80/25/57/521802557.db2.gz MZQXRZVICPDNKQ-UHFFFAOYSA-N 2 0 329.404 1.248 20 0 EDADRP CCc1ccc([C@H](CNC(=O)c2[nH]nc3c2C[NH2+]CC3)[NH+](C)C)cc1 ZINC000188693434 524049126 /nfs/dbraw/zinc/04/91/26/524049126.db2.gz FENGEMNFPKPRMI-KRWDZBQOSA-N 2 0 341.459 1.651 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188722647 526993659 /nfs/dbraw/zinc/99/36/59/526993659.db2.gz BCJNYSYACQCGPT-QGZVFWFLSA-N 2 0 339.443 1.622 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173943651 528458879 /nfs/dbraw/zinc/45/88/79/528458879.db2.gz KWAATLRKUSDCKC-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP CC[NH+]1CCC(NC(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000332611260 535467853 /nfs/dbraw/zinc/46/78/53/535467853.db2.gz PBWKWUSAKJGYAJ-GASCZTMLSA-N 2 0 326.485 1.269 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000262453221 535518416 /nfs/dbraw/zinc/51/84/16/535518416.db2.gz ZXOKDOJTUHSAFF-LUKYLMHMSA-N 2 0 325.497 1.628 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC[C@H](C)[NH3+])cc1 ZINC000262706719 535539602 /nfs/dbraw/zinc/53/96/02/535539602.db2.gz BPQKNLMXCNRKIC-AWEZNQCLSA-N 2 0 334.464 1.824 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@@](C)([NH3+])c2ccccc2)CC1 ZINC000262775740 535692763 /nfs/dbraw/zinc/69/27/63/535692763.db2.gz BQCPSWKZEOJWLW-IBGZPJMESA-N 2 0 332.492 1.394 20 0 EDADRP CC[N@H+](CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CC1 ZINC000347689109 535734690 /nfs/dbraw/zinc/73/46/90/535734690.db2.gz RNRGEPVDOKWWPR-UHFFFAOYSA-N 2 0 331.464 1.048 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H]([NH3+])Cc3c[nH]c4ccccc34)CC[C@@H]21 ZINC000262188601 536379524 /nfs/dbraw/zinc/37/95/24/536379524.db2.gz JLLIYDSIEQVIEA-LJHODMEESA-N 2 0 340.471 1.980 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262910556 536403189 /nfs/dbraw/zinc/40/31/89/536403189.db2.gz YKSXRBZUYZXUBC-JKSUJKDBSA-N 2 0 333.480 1.754 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)ccc1OC(C)C ZINC000347227824 536750232 /nfs/dbraw/zinc/75/02/32/536750232.db2.gz WLXMHTMIOSBQNN-MRXNPFEDSA-N 2 0 349.475 1.769 20 0 EDADRP C[NH+](C)CCCNC(=S)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000741484649 579419402 /nfs/dbraw/zinc/41/94/02/579419402.db2.gz QVBRMKMNEJDIND-UHFFFAOYSA-N 2 0 334.533 1.501 20 0 EDADRP CCCCCC[N@H+](C)CC(=O)N1CC[NH+](C[C@@H](C)O)[C@@H](CC)C1 ZINC000742780642 579462327 /nfs/dbraw/zinc/46/23/27/579462327.db2.gz MUYFGZAGGBYESI-SJORKVTESA-N 2 0 327.513 1.802 20 0 EDADRP C[C@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000729683716 578587197 /nfs/dbraw/zinc/58/71/97/578587197.db2.gz YGWKTINMQAWZLM-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000732677807 578723062 /nfs/dbraw/zinc/72/30/62/578723062.db2.gz ZCQYUULSNQSYII-VQHPVUNQSA-N 2 0 336.480 1.118 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C2CCN(C)CC2)C1)C(C)C ZINC000734277139 578804505 /nfs/dbraw/zinc/80/45/05/578804505.db2.gz YPAXGWQOPLWQJO-MRXNPFEDSA-N 2 0 339.528 1.184 20 0 EDADRP C[N@H+](CCOc1ccc(-c2nn[nH]n2)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000736855869 579026956 /nfs/dbraw/zinc/02/69/56/579026956.db2.gz IIEOKWINRZMGKI-AWEZNQCLSA-N 2 0 330.436 1.519 20 0 EDADRP CC(C)[C@@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782104 579934929 /nfs/dbraw/zinc/93/49/29/579934929.db2.gz YBVPKUXELJQXKD-CRAIPNDOSA-N 2 0 336.480 1.574 20 0 EDADRP C[C@@H]1C[N@H+](CN2C(=O)NC3(CC[NH+](C)CC3)C2=O)[C@H]2CCCC[C@H]12 ZINC000782275906 580570611 /nfs/dbraw/zinc/57/06/11/580570611.db2.gz LTWNZFHUHRRPHJ-KFWWJZLASA-N 2 0 334.464 1.471 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCCCC[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000782911346 580587971 /nfs/dbraw/zinc/58/79/71/580587971.db2.gz YGEJTAWQPAJJBX-IYBDPMFKSA-N 2 0 341.455 1.994 20 0 EDADRP O[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccc(F)cn1 ZINC000799296946 581024282 /nfs/dbraw/zinc/02/42/82/581024282.db2.gz JLCWBLJDROUIAJ-SFHVURJKSA-N 2 0 337.439 1.688 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000893048629 590635578 /nfs/dbraw/zinc/63/55/78/590635578.db2.gz SQRMCGAZRABSEW-WOJBJXKFSA-N 2 0 331.504 1.801 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NCC[NH+]1CCC(O)CC1)C(C)(C)C ZINC000893067294 590645037 /nfs/dbraw/zinc/64/50/37/590645037.db2.gz XYGZAZMXDRRHSQ-OAHLLOKOSA-N 2 0 328.501 1.109 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC2(C[NH3+])CCCCC2)CCCO1 ZINC000891856006 590657029 /nfs/dbraw/zinc/65/70/29/590657029.db2.gz NPDQDYSDQVAQNY-HNNXBMFYSA-N 2 0 326.485 1.448 20 0 EDADRP CCN(C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000891865881 590662164 /nfs/dbraw/zinc/66/21/64/590662164.db2.gz XFGHUOCWJHOWJV-QZTJIDSGSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[C@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000891877569 590666421 /nfs/dbraw/zinc/66/64/21/590666421.db2.gz LXWRZUNLPOFRAJ-KSZLIROESA-N 2 0 336.524 1.946 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000891910987 590682007 /nfs/dbraw/zinc/68/20/07/590682007.db2.gz XEBSNQUQYQXPAE-YNEHKIRRSA-N 2 0 338.418 1.885 20 0 EDADRP Cc1ccc(CN2CCO[C@@H](CNC(=O)NCC(C)(C)[NH3+])C2)cc1 ZINC000892033317 590762160 /nfs/dbraw/zinc/76/21/60/590762160.db2.gz DJBWFKQIWMRVRJ-INIZCTEOSA-N 2 0 334.464 1.232 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1([NH3+])CCC1 ZINC000892052639 590773198 /nfs/dbraw/zinc/77/31/98/590773198.db2.gz DPLDQFBINJLMGL-DOTOQJQBSA-N 2 0 330.476 1.935 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000892087690 590791893 /nfs/dbraw/zinc/79/18/93/590791893.db2.gz HUYHBCLMWDRXKA-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP COCCC1(NC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC[NH2+]CC1 ZINC000892128732 590813648 /nfs/dbraw/zinc/81/36/48/590813648.db2.gz DOEIIBHYTDHZBF-KRWDZBQOSA-N 2 0 348.491 1.925 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)N[C@@H]3C[NH2+]CCC3(F)F)CC2)CC1 ZINC000892157490 590829512 /nfs/dbraw/zinc/82/95/12/590829512.db2.gz STMLGWYTQDQWLI-CYBMUJFWSA-N 2 0 330.423 1.501 20 0 EDADRP COCCCC1(C[NH+]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CCC1 ZINC000892176467 590846392 /nfs/dbraw/zinc/84/63/92/590846392.db2.gz VIYPWENCQIIGIS-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000892258150 590890726 /nfs/dbraw/zinc/89/07/26/590890726.db2.gz ZLUWFSRRTFGZDX-XSLAGTTESA-N 2 0 346.450 1.807 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCC23CC(C2)C[NH2+]3)c1 ZINC000892261322 590894219 /nfs/dbraw/zinc/89/42/19/590894219.db2.gz LQBCYXGWXCMUKK-CRPOECCBSA-N 2 0 330.432 1.103 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC000892283487 590913420 /nfs/dbraw/zinc/91/34/20/590913420.db2.gz PQCROXYEPXWXOL-QGZVFWFLSA-N 2 0 334.464 1.105 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000892290621 590918546 /nfs/dbraw/zinc/91/85/46/590918546.db2.gz IOCSVVNWMGNMQS-NVXWUHKLSA-N 2 0 340.512 1.681 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000892343935 590972132 /nfs/dbraw/zinc/97/21/32/590972132.db2.gz XJACEELBZKELBE-RHSMWYFYSA-N 2 0 330.476 1.956 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892414719 591018560 /nfs/dbraw/zinc/01/85/60/591018560.db2.gz PSHBFIWAKZZGRX-SJORKVTESA-N 2 0 348.491 1.091 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000892434381 591027303 /nfs/dbraw/zinc/02/73/03/591027303.db2.gz LYXHOGHDFVSLMU-QSPRXWTASA-N 2 0 338.496 1.432 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892446661 591031449 /nfs/dbraw/zinc/03/14/49/591031449.db2.gz MXLWTQOJEHAUGT-WKILWMFISA-N 2 0 333.480 1.672 20 0 EDADRP CC(=O)OC[C@H](C)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000892553177 591069911 /nfs/dbraw/zinc/06/99/11/591069911.db2.gz JUHUWRTTZPRIFL-LPHOPBHVSA-N 2 0 333.476 1.906 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000892563631 591074599 /nfs/dbraw/zinc/07/45/99/591074599.db2.gz SWEZMWGNWZXGID-HZPDHXFCSA-N 2 0 329.460 1.237 20 0 EDADRP CCc1ccc(CN2CCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892566465 591075067 /nfs/dbraw/zinc/07/50/67/591075067.db2.gz QODFRPJVUMYZOX-IYARVYRRSA-N 2 0 330.476 1.814 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000891491737 591091936 /nfs/dbraw/zinc/09/19/36/591091936.db2.gz CWDKIQCEXUGRKY-CYBMUJFWSA-N 2 0 348.438 1.031 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000891493219 591094203 /nfs/dbraw/zinc/09/42/03/591094203.db2.gz OKPYWAGRRKUJPH-SHTZXODSSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000891547103 591117703 /nfs/dbraw/zinc/11/77/03/591117703.db2.gz XSKITPVMOZWVHX-GJZGRUSLSA-N 2 0 340.537 1.869 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000891547102 591118035 /nfs/dbraw/zinc/11/80/35/591118035.db2.gz XSKITPVMOZWVHX-CABCVRRESA-N 2 0 340.537 1.869 20 0 EDADRP C[NH+]1CC[C@@H](NC(=O)N2CC[C@H]3C[N@@H+](C)C[C@@H]32)[C@@H]1c1ccccc1 ZINC000893873941 591124514 /nfs/dbraw/zinc/12/45/14/591124514.db2.gz DUDGFTNCEKUTML-MHORFTMASA-N 2 0 328.460 1.777 20 0 EDADRP CN(C)[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)c1c(F)cccc1F ZINC000891564039 591127082 /nfs/dbraw/zinc/12/70/82/591127082.db2.gz GFOOOJMIWORDNU-MJVIPROJSA-N 2 0 326.391 1.604 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCCC[C@H]2C[NH3+])[C@@H](C)C1 ZINC000891565647 591127863 /nfs/dbraw/zinc/12/78/63/591127863.db2.gz QUTNLHQLTRDALE-YESZJQIVSA-N 2 0 340.512 1.646 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)Cc2ccccc2C1 ZINC000891597368 591142515 /nfs/dbraw/zinc/14/25/15/591142515.db2.gz NSZYWWWIRLLSQU-MSOLQXFVSA-N 2 0 342.487 1.622 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[C@@H]1c1cccs1 ZINC000891597408 591142562 /nfs/dbraw/zinc/14/25/62/591142562.db2.gz OSLKJMUFBRZLFA-ORIJERBGSA-N 2 0 334.489 1.887 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CCSC1 ZINC000891639433 591163028 /nfs/dbraw/zinc/16/30/28/591163028.db2.gz RFTYRYRUJMLCBK-BBRMVZONSA-N 2 0 328.526 1.501 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cn1 ZINC000892764672 591165897 /nfs/dbraw/zinc/16/58/97/591165897.db2.gz WDJYHFGOXQDNNN-YQVWRLOYSA-N 2 0 345.491 1.056 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892769468 591168073 /nfs/dbraw/zinc/16/80/73/591168073.db2.gz ZBSCQYFURWPUIK-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1C[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC[N@@H+]1Cc1ccccc1 ZINC000891655490 591170934 /nfs/dbraw/zinc/17/09/34/591170934.db2.gz MSNFQGLSNKYEGA-RANZSIQMSA-N 2 0 328.460 1.795 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)C[N@@H+]1C1CC1 ZINC000891658961 591172340 /nfs/dbraw/zinc/17/23/40/591172340.db2.gz BXRYEWCSQDWTFA-HNCHTBHHSA-N 2 0 334.386 1.390 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000892808407 591187082 /nfs/dbraw/zinc/18/70/82/591187082.db2.gz BAMRRXSXCDDRRM-MOPGFXCFSA-N 2 0 342.487 1.971 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)C[C@@H](C)O1 ZINC000891727253 591200672 /nfs/dbraw/zinc/20/06/72/591200672.db2.gz FPYVAIGSWFYPCX-VQHPVUNQSA-N 2 0 338.496 1.364 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891749694 591209608 /nfs/dbraw/zinc/20/96/08/591209608.db2.gz VFNZQWMWEIOPTA-PKOBYXMFSA-N 2 0 343.475 1.882 20 0 EDADRP Cc1noc2ncc(C[NH2+]C[C@H](C(C)C)N3CC[NH+](C)CC3)cc12 ZINC000894166024 591214300 /nfs/dbraw/zinc/21/43/00/591214300.db2.gz CDVWFLNLRRLXJG-QGZVFWFLSA-N 2 0 331.464 1.893 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)C1 ZINC000892943108 591232550 /nfs/dbraw/zinc/23/25/50/591232550.db2.gz DHWIUIMOSJQIPX-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CCC4(C[C@H]3F)OCCO4)C2)CC1 ZINC000892948226 591235385 /nfs/dbraw/zinc/23/53/85/591235385.db2.gz OKLVXDIJRAAGKS-USXIJHARSA-N 2 0 341.471 1.378 20 0 EDADRP C[N@@H+]1C[C@@H]2CCN(C(=O)NC[C@@H]3CCC[NH+]3Cc3ccccc3)[C@@H]2C1 ZINC000892999118 591250577 /nfs/dbraw/zinc/25/05/77/591250577.db2.gz AQDGEAALYSSBMJ-GBESFXJTSA-N 2 0 342.487 1.997 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1cc(NC[C@@H]2CC[N@H+]2C)nc2cnccc21 ZINC000895768496 591268991 /nfs/dbraw/zinc/26/89/91/591268991.db2.gz CZKZNVDSHBZORG-KGLIPLIRSA-N 2 0 326.448 1.862 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C[C@]2(C)C1 ZINC000895898842 591299219 /nfs/dbraw/zinc/29/92/19/591299219.db2.gz AFDWKRSZYRGJTF-HBFSDRIKSA-N 2 0 342.487 1.854 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C2C[NH+](C3CCOCC3)C2)[NH+](C)C)cc1 ZINC000895934782 591308016 /nfs/dbraw/zinc/30/80/16/591308016.db2.gz FOJATASDEWEELP-LJQANCHMSA-N 2 0 345.487 1.825 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3ccc4[nH]c(=O)[nH]c4c3)CC2)CC1 ZINC000894765775 591414432 /nfs/dbraw/zinc/41/44/32/591414432.db2.gz MZSCNUGOGNSDGS-UHFFFAOYSA-N 2 0 343.475 1.728 20 0 EDADRP CN(C)Cc1csc(C[NH2+][C@@H]2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000896312050 591421141 /nfs/dbraw/zinc/42/11/41/591421141.db2.gz ZJPJMZZLQIXXOJ-DGCLKSJQSA-N 2 0 331.507 1.650 20 0 EDADRP CCCSC[C@@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894896279 591463362 /nfs/dbraw/zinc/46/33/62/591463362.db2.gz UIABQBKCNOZVPX-MRXNPFEDSA-N 2 0 329.554 1.904 20 0 EDADRP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894917583 591473735 /nfs/dbraw/zinc/47/37/35/591473735.db2.gz NXNFNKQWOBELOB-SNVBAGLBSA-N 2 0 343.374 1.684 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+]Cc3cnc[nH]3)cc2)CC1 ZINC000895011426 591522395 /nfs/dbraw/zinc/52/23/95/591522395.db2.gz HNTZRFPMBPQVOM-UHFFFAOYSA-N 2 0 327.432 1.397 20 0 EDADRP CN(C)Cc1csc(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)n1 ZINC000896595438 591546044 /nfs/dbraw/zinc/54/60/44/591546044.db2.gz RUIBAEFJILFOKC-ZDUSSCGKSA-N 2 0 339.509 1.736 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=O)N2CCN(C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000897574665 591561340 /nfs/dbraw/zinc/56/13/40/591561340.db2.gz IULUVTXFZHMLOM-MJGOQNOKSA-N 2 0 342.487 1.821 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000899154340 591710183 /nfs/dbraw/zinc/71/01/83/591710183.db2.gz SWIZFIMIVYJFJO-INIZCTEOSA-N 2 0 325.497 1.676 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000899204941 591729141 /nfs/dbraw/zinc/72/91/41/591729141.db2.gz ITHKZKHURWLSKA-GOSISDBHSA-N 2 0 349.519 1.964 20 0 EDADRP CN(C)Cc1csc(NC(=O)c2cc([C@@H]3CCCN3C)[nH]n2)n1 ZINC000897946580 591732849 /nfs/dbraw/zinc/73/28/49/591732849.db2.gz UMYRSTJYYJOGTP-ZDUSSCGKSA-N 2 0 334.449 1.947 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000895463709 591766737 /nfs/dbraw/zinc/76/67/37/591766737.db2.gz BAMFASIJGOAGTP-ZWKOTPCHSA-N 2 0 345.487 1.876 20 0 EDADRP C[NH2+][C@@H](C)Cc1noc(C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)n1 ZINC000900009369 591865730 /nfs/dbraw/zinc/86/57/30/591865730.db2.gz XNGRRSPRZRLWFT-WCBMZHEXSA-N 2 0 328.338 1.750 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CCCn2ccc(=O)[nH]c2=O)cc1 ZINC000898333309 591875064 /nfs/dbraw/zinc/87/50/64/591875064.db2.gz RAZBXIZYRYJDKS-UHFFFAOYSA-N 2 0 346.431 1.069 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000900273223 591976017 /nfs/dbraw/zinc/97/60/17/591976017.db2.gz VCJYXERRVNRZBG-GOSISDBHSA-N 2 0 338.540 1.641 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900299783 591979895 /nfs/dbraw/zinc/97/98/95/591979895.db2.gz JWCDWFJJVSGMJE-IEBWSBKVSA-N 2 0 333.476 1.122 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(NS(C)(=O)=O)cc2)C1 ZINC000902350863 591984943 /nfs/dbraw/zinc/98/49/43/591984943.db2.gz BYNKDOPOFNBSTC-HNNXBMFYSA-N 2 0 325.478 1.926 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CC(C)(C)[C@@H]3CCC[C@@H]31)C2=O ZINC000902673974 592041000 /nfs/dbraw/zinc/04/10/00/592041000.db2.gz MGFSGEKFZHPQMK-KGLIPLIRSA-N 2 0 334.464 1.471 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC000900565415 592054032 /nfs/dbraw/zinc/05/40/32/592054032.db2.gz IMQVXEVQGKTMKG-SFHVURJKSA-N 2 0 327.472 1.763 20 0 EDADRP [NH2+]=C(NOCc1ncnn1-c1ccccc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902806380 592062944 /nfs/dbraw/zinc/06/29/44/592062944.db2.gz RNLSSRCPIKUZOQ-LSDHHAIUSA-N 2 0 342.403 1.129 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)C2CCCC2)CC1 ZINC000900684754 592093590 /nfs/dbraw/zinc/09/35/90/592093590.db2.gz FYDKOMVXRNBFAD-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000900706381 592100441 /nfs/dbraw/zinc/10/04/41/592100441.db2.gz HSAKQZZTWJXEOX-UHFFFAOYSA-N 2 0 335.492 1.574 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC000900708283 592100699 /nfs/dbraw/zinc/10/06/99/592100699.db2.gz IDQDGNZOEMABPK-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900760284 592109322 /nfs/dbraw/zinc/10/93/22/592109322.db2.gz TZGLWNBGAULZGY-RYQLBKOJSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900760283 592109446 /nfs/dbraw/zinc/10/94/46/592109446.db2.gz TZGLWNBGAULZGY-JQHSSLGASA-N 2 0 335.492 1.620 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900730241 592110828 /nfs/dbraw/zinc/11/08/28/592110828.db2.gz DAMSJKBUUTWSKV-SFHVURJKSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076321 592115788 /nfs/dbraw/zinc/11/57/88/592115788.db2.gz NGVDWAFGMHPWDF-KGLIPLIRSA-N 2 0 327.469 1.479 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900788093 592123709 /nfs/dbraw/zinc/12/37/09/592123709.db2.gz UMTOGIUNLOKRKC-SFHVURJKSA-N 2 0 338.540 1.591 20 0 EDADRP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CC[C@H]1CC(=O)N(C)C1 ZINC000903217880 592141318 /nfs/dbraw/zinc/14/13/18/592141318.db2.gz FMIQEPAHFUOIAR-SOLBZPMBSA-N 2 0 330.476 1.750 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)N2CC[C@@H]([NH+](CC)CC)C2)C1 ZINC000900887399 592157499 /nfs/dbraw/zinc/15/74/99/592157499.db2.gz UBPWEUZMWIRVKQ-HZPDHXFCSA-N 2 0 339.480 1.204 20 0 EDADRP c1cc(CC[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)sn1 ZINC000903464233 592172468 /nfs/dbraw/zinc/17/24/68/592172468.db2.gz DZTKPXONPKANRM-AWEZNQCLSA-N 2 0 346.504 1.698 20 0 EDADRP Cc1cn2c(nc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)cc2=O)s1 ZINC000903452368 592173505 /nfs/dbraw/zinc/17/35/05/592173505.db2.gz LKKZZGYCVXDCNO-CQSZACIVSA-N 2 0 332.473 1.886 20 0 EDADRP O=C1[C@@H](N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)CCN1C1CCC1 ZINC000903505490 592181688 /nfs/dbraw/zinc/18/16/88/592181688.db2.gz DGDPGIGPMWTACI-KSZLIROESA-N 2 0 332.492 1.040 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)Nc1ccc(C)cc1C)C2 ZINC000903491045 592184667 /nfs/dbraw/zinc/18/46/67/592184667.db2.gz SIGASHIASIVPHK-KHYOSLBOSA-N 2 0 345.443 1.454 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1nc(-c3ccccc3)no1)C2 ZINC000903491798 592184942 /nfs/dbraw/zinc/18/49/42/592184942.db2.gz BABUEDLZTVPRFT-IYOUNJFTSA-N 2 0 342.399 1.449 20 0 EDADRP C[C@@H]1CCCCN1C(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511147 592191029 /nfs/dbraw/zinc/19/10/29/592191029.db2.gz QKTJDZZHZQYESE-NXHRZFHOSA-N 2 0 334.508 1.288 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000901024600 592202486 /nfs/dbraw/zinc/20/24/86/592202486.db2.gz YOPZMYUIJVJPSV-FCCDEINASA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[N@@H+]1C[C@H](C)[C@H](NC(=O)CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000901024255 592202550 /nfs/dbraw/zinc/20/25/50/592202550.db2.gz XMDQKUIQDQGUEJ-ZWKOTPCHSA-N 2 0 338.540 1.638 20 0 EDADRP [NH3+]CC1([C@H]2CCCCN2S(=O)(=O)CCC[NH+]2CCCC2)CCC1 ZINC000903547938 592205228 /nfs/dbraw/zinc/20/52/28/592205228.db2.gz YAKRSPXQRBGMLR-MRXNPFEDSA-N 2 0 343.537 1.786 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000901078981 592226276 /nfs/dbraw/zinc/22/62/76/592226276.db2.gz SWDQTVOEWQRNRS-SQNIBIBYSA-N 2 0 335.492 1.717 20 0 EDADRP COc1ccc(CCC(=O)N2CC[NH+](C[C@H]3C[C@@H]([NH3+])C3)CC2)cc1 ZINC000904336535 592234584 /nfs/dbraw/zinc/23/45/84/592234584.db2.gz RWFRGSBMVNZILY-CALCHBBNSA-N 2 0 331.460 1.509 20 0 EDADRP CC(C)(C)CC[C@@H]([NH3+])C[NH2+]C1CCN(S(=O)(=O)C2CC2)CC1 ZINC000904362202 592238156 /nfs/dbraw/zinc/23/81/56/592238156.db2.gz IJRBRAWGDZMELW-CYBMUJFWSA-N 2 0 331.526 1.686 20 0 EDADRP [NH3+]CCN1CCC([NH2+]Cc2ccccc2CN2CCOCC2)CC1 ZINC000904361977 592238534 /nfs/dbraw/zinc/23/85/34/592238534.db2.gz DSILTPVCGLCPRR-UHFFFAOYSA-N 2 0 332.492 1.032 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)n(C2CC[NH+](C)CC2)n1 ZINC000904367033 592238812 /nfs/dbraw/zinc/23/88/12/592238812.db2.gz UPVAXPLEAIRYQE-NWANDNLSSA-N 2 0 332.452 1.473 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906658115 592240216 /nfs/dbraw/zinc/24/02/16/592240216.db2.gz VMUHPFOEJQNTOL-OAHLLOKOSA-N 2 0 332.448 1.417 20 0 EDADRP [NH3+][C@@H]1CN(Cc2ccc(N3CC[NH2+]CC3)o2)C[C@H]1c1ccccc1F ZINC000904373801 592241426 /nfs/dbraw/zinc/24/14/26/592241426.db2.gz WPEFBXQLYKKDRL-FUHWJXTLSA-N 2 0 344.434 1.755 20 0 EDADRP C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906664592 592246798 /nfs/dbraw/zinc/24/67/98/592246798.db2.gz MFGDCUISEGFXES-XJKSGUPXSA-N 2 0 344.459 1.514 20 0 EDADRP CC[C@@H](C(=O)NC[C@@]1(C)CCN(C(=O)[C@H](CC)[NH+](C)C)C1)[NH+](C)C ZINC000907979068 592247257 /nfs/dbraw/zinc/24/72/57/592247257.db2.gz DEGJDKILPHLISC-RLFYNMQTSA-N 2 0 340.512 1.022 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906669025 592250721 /nfs/dbraw/zinc/25/07/21/592250721.db2.gz DXFZBYVVNALZIY-UKRRQHHQSA-N 2 0 330.432 1.169 20 0 EDADRP CC(C)(C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000907990714 592251272 /nfs/dbraw/zinc/25/12/72/592251272.db2.gz OFPKYKJVRCWBHS-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC3(C4CC[NH2+]CC4)CC3)n2)CC1 ZINC000904457426 592265593 /nfs/dbraw/zinc/26/55/93/592265593.db2.gz OEECUORLCRNABG-UHFFFAOYSA-N 2 0 346.479 1.804 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NCC3([NH3+])CC3)cc2)C1 ZINC000906697684 592270736 /nfs/dbraw/zinc/27/07/36/592270736.db2.gz PLMYQZYCUUGWKY-CQSZACIVSA-N 2 0 344.459 1.465 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC2CCC(C[NH+](C)C)CC2)CC1 ZINC000901173241 592275936 /nfs/dbraw/zinc/27/59/36/592275936.db2.gz GLUXXVYCFJUOTR-UHFFFAOYSA-N 2 0 338.540 1.639 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CCC[C@H]4CC[C@]43C[NH3+])cn2)CC1 ZINC000904535365 592280805 /nfs/dbraw/zinc/28/08/05/592280805.db2.gz IQUJIDOVUYGVLI-KSSFIOAISA-N 2 0 346.479 1.885 20 0 EDADRP c1ccc(CN2CCC[N@@H+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903733244 592281500 /nfs/dbraw/zinc/28/15/00/592281500.db2.gz LIOMNSJMYSLXLC-WOJBJXKFSA-N 2 0 329.488 1.963 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCOCC3)C2)C1 ZINC000908036958 592283570 /nfs/dbraw/zinc/28/35/70/592283570.db2.gz RTBLWRVMUHJQLE-MSOLQXFVSA-N 2 0 337.508 1.679 20 0 EDADRP O=C1C[C@H](c2ccccc2)[N@H+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CCN1 ZINC000903723326 592284178 /nfs/dbraw/zinc/28/41/78/592284178.db2.gz VGOJZQQKTTYQBA-YQVWRLOYSA-N 2 0 329.444 1.318 20 0 EDADRP Clc1ccc(N2CC[NH+](C[C@H]3C[C@@]4(CC[NH2+]C4)CO3)CC2)nc1 ZINC000903731957 592288227 /nfs/dbraw/zinc/28/82/27/592288227.db2.gz BIXAJGZOEIATCW-NVXWUHKLSA-N 2 0 336.867 1.626 20 0 EDADRP CCN(CCS(=O)(=O)Nc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000903745682 592292107 /nfs/dbraw/zinc/29/21/07/592292107.db2.gz NWYHBXKQYWTSID-INIZCTEOSA-N 2 0 325.478 1.892 20 0 EDADRP c1nnc([C@@H]2CCC[N@@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751341 592295552 /nfs/dbraw/zinc/29/55/52/592295552.db2.gz CZQSQYOBARNZPQ-UWWQBHOKSA-N 2 0 331.464 1.561 20 0 EDADRP CCOCCN1CC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1CC ZINC000903739677 592301538 /nfs/dbraw/zinc/30/15/38/592301538.db2.gz NXQJYBATGSVRMB-MSOLQXFVSA-N 2 0 339.524 1.578 20 0 EDADRP c1cc(-c2nc([C@@H]3C[N@@H+]4CCC[C@H]4CO3)no2)nc2c1CC[NH2+]C2 ZINC000904639603 592302283 /nfs/dbraw/zinc/30/22/83/592302283.db2.gz VAYGKFJTHGRMSF-WFASDCNBSA-N 2 0 327.388 1.313 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CCS(=O)(=O)Nc1ccccc1)CC[NH2+]CC2 ZINC000903763796 592308928 /nfs/dbraw/zinc/30/89/28/592308928.db2.gz NBJGVZUPKFKFDT-OAHLLOKOSA-N 2 0 337.489 1.892 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000903792949 592315872 /nfs/dbraw/zinc/31/58/72/592315872.db2.gz KHUKDJOISCRATN-OALUTQOASA-N 2 0 348.487 1.535 20 0 EDADRP COC(=O)c1cnc(C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)cn1 ZINC000903793104 592316208 /nfs/dbraw/zinc/31/62/08/592316208.db2.gz MZONTDNCHSUOMH-UHFFFAOYSA-N 2 0 340.427 1.756 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903803698 592327768 /nfs/dbraw/zinc/32/77/68/592327768.db2.gz ZVOSYFRCGXHSAV-NSHGMRRFSA-N 2 0 344.503 1.609 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2C[C@@H](OC)C[C@H]2C[NH+]2CCCC2)C1 ZINC000908115092 592328486 /nfs/dbraw/zinc/32/84/86/592328486.db2.gz KLOIHQFTZDMZQK-BZSNNMDCSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1 ZINC000906755339 592334424 /nfs/dbraw/zinc/33/44/24/592334424.db2.gz BTAVLOAKTSPIEU-MRXNPFEDSA-N 2 0 346.475 1.908 20 0 EDADRP CCCC(=O)NC[C@H]1CCC[N@H+](C[C@@H](C[NH3+])Cc2cnn(C)c2C)C1 ZINC000903888578 592351648 /nfs/dbraw/zinc/35/16/48/592351648.db2.gz GLYRZQOIXRYYLC-IAGOWNOFSA-N 2 0 349.523 1.474 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)Cc2ccc3c(c2)OCO3)cnn1C ZINC000903877679 592358884 /nfs/dbraw/zinc/35/88/84/592358884.db2.gz OYAZNGMQKJYJFD-HNNXBMFYSA-N 2 0 330.432 1.707 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](C(=O)NCC3CC3)C2)cnn1C ZINC000903886039 592364004 /nfs/dbraw/zinc/36/40/04/592364004.db2.gz QUKPHSBVLVCDMT-DLBZAZTESA-N 2 0 347.507 1.084 20 0 EDADRP [NH3+][C@H](CC(F)F)CN1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000903887022 592364354 /nfs/dbraw/zinc/36/43/54/592364354.db2.gz WRBOUBZNSCOSMB-LLVKDONJSA-N 2 0 333.345 1.556 20 0 EDADRP CN(CC[NH+]1CCN(c2ccccc2)CC1)C[C@H]([NH3+])CC(F)F ZINC000903894596 592366356 /nfs/dbraw/zinc/36/63/56/592366356.db2.gz AGCPIFRSAGLLFC-OAHLLOKOSA-N 2 0 326.435 1.723 20 0 EDADRP CC1([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)OCCO1 ZINC000903902960 592371453 /nfs/dbraw/zinc/37/14/53/592371453.db2.gz QACIRLIYODWEKM-GJZGRUSLSA-N 2 0 335.452 1.178 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000908201318 592378314 /nfs/dbraw/zinc/37/83/14/592378314.db2.gz DTPOASNCCJJASI-OALUTQOASA-N 2 0 345.487 1.439 20 0 EDADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903926452 592381384 /nfs/dbraw/zinc/38/13/84/592381384.db2.gz SGQMTOHILJQPRY-AWEZNQCLSA-N 2 0 332.496 1.494 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+]2CCC[C@H](C(=O)NC(C)C)C2)cnn1C ZINC000903932984 592384650 /nfs/dbraw/zinc/38/46/50/592384650.db2.gz JEEHXSAUDATWIS-HOTGVXAUSA-N 2 0 335.496 1.083 20 0 EDADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C[C@H]1OCCc2sccc21 ZINC000903947560 592394688 /nfs/dbraw/zinc/39/46/88/592394688.db2.gz AWQOFSJWHYOSJD-UKRRQHHQSA-N 2 0 337.489 1.491 20 0 EDADRP c1nc2ccccn2c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980552 592400052 /nfs/dbraw/zinc/40/00/52/592400052.db2.gz UQPKRESATYVDJD-CALCHBBNSA-N 2 0 325.460 1.735 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)C[C@H](O)c3ccccc3)C2)CC1 ZINC000905111214 592411836 /nfs/dbraw/zinc/41/18/36/592411836.db2.gz URMYWEPQUWTTPF-IHPCNDPISA-N 2 0 347.503 1.229 20 0 EDADRP C[NH2+]CCOc1ccccc1-c1nc([C@H]2C[N@@H+]3CCC[C@H]3CO2)no1 ZINC000904100486 592425533 /nfs/dbraw/zinc/42/55/33/592425533.db2.gz YYLWVILDOURDTD-XJKSGUPXSA-N 2 0 344.415 1.871 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000908317352 592430456 /nfs/dbraw/zinc/43/04/56/592430456.db2.gz XZUGZDGYWVUZOI-JFIYKMOQSA-N 2 0 335.492 1.715 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2(O)CCOCC2)CN1Cc1ccccc1 ZINC000905160827 592436680 /nfs/dbraw/zinc/43/66/80/592436680.db2.gz SXHVFYRWMFGMML-BPQIPLTHSA-N 2 0 334.460 1.141 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)CC1 ZINC000908364422 592466331 /nfs/dbraw/zinc/46/63/31/592466331.db2.gz ZOOKONRIKZMKQB-IBGZPJMESA-N 2 0 336.524 1.347 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNS(=O)(=O)CC2CC[NH2+]CC2)cc1 ZINC000905330674 592507893 /nfs/dbraw/zinc/50/78/93/592507893.db2.gz WBFNNFCIBZMXQC-KRWDZBQOSA-N 2 0 339.505 1.729 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000908491770 592508145 /nfs/dbraw/zinc/50/81/45/592508145.db2.gz SYNRKXBBHIKEFH-UHFFFAOYSA-N 2 0 336.524 1.251 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000907195998 592542497 /nfs/dbraw/zinc/54/24/97/592542497.db2.gz JLPRLVOEOHHPKZ-UHFFFAOYSA-N 2 0 344.503 1.757 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@H](O)CC1(O)CCCC1)C2 ZINC000905496379 592553681 /nfs/dbraw/zinc/55/36/81/592553681.db2.gz SCZFICBYKOLDTC-HSFUPAIVSA-N 2 0 340.508 1.112 20 0 EDADRP CC[NH+](CC)CCCC1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@@H+]2C)CC1 ZINC000907306938 592579145 /nfs/dbraw/zinc/57/91/45/592579145.db2.gz QTSBYQZGNWUQAF-IEBWSBKVSA-N 2 0 339.524 1.802 20 0 EDADRP C[C@H](NC(=O)C[C@@]1(O)CCC[N@H+](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000907446814 592659908 /nfs/dbraw/zinc/65/99/08/592659908.db2.gz KUKOXFJHQAMZQT-IPELMVKDSA-N 2 0 333.476 1.641 20 0 EDADRP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@@]3(C)C[C@@H](O)C[N@H+]3C)C1)CCCC2 ZINC000907553848 592704953 /nfs/dbraw/zinc/70/49/53/592704953.db2.gz IYJBHAITWXWVLK-SPYBWZPUSA-N 2 0 346.475 1.299 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906221866 592761031 /nfs/dbraw/zinc/76/10/31/592761031.db2.gz JDUWHUAWLSCTBG-CVEARBPZSA-N 2 0 331.464 1.047 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@H](N3CCC3)[C@@H](F)C2)CC1 ZINC000907794153 592797416 /nfs/dbraw/zinc/79/74/16/592797416.db2.gz QBUWDKPQXJWJTM-IRXDYDNUSA-N 2 0 340.487 1.047 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C2(CCOC)CC[NH+](C)CC2)[C@H](C)C1 ZINC000910266391 592813766 /nfs/dbraw/zinc/81/37/66/592813766.db2.gz MNLFHAVIJGIMAH-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1c2c(nn1C)CCC2 ZINC000906490397 592831156 /nfs/dbraw/zinc/83/11/56/592831156.db2.gz YNIPNDGZPLURLK-OAHLLOKOSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@]2(O)CCC[N@H+](C)C2)CCN1Cc1ccccc1 ZINC000910447047 592865086 /nfs/dbraw/zinc/86/50/86/592865086.db2.gz SOCKNPZFJWAXKU-XLIONFOSSA-N 2 0 345.487 1.566 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000911671939 592975498 /nfs/dbraw/zinc/97/54/98/592975498.db2.gz FPNZRPPBXSLIHM-YVMONPNESA-N 2 0 331.460 1.756 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)c1ccc2c(c1)CC[C@@H]([NH3+])C(=O)N2 ZINC000911682848 592981194 /nfs/dbraw/zinc/98/11/94/592981194.db2.gz PYDLNGZYNIUPAH-OAHLLOKOSA-N 2 0 338.411 1.870 20 0 EDADRP CN(C(=O)/C=C\c1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000911692781 592983260 /nfs/dbraw/zinc/98/32/60/592983260.db2.gz WYNPDFMYCMWNNP-TWGQIWQCSA-N 2 0 331.460 1.851 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(Cc2ccc(F)cc2-c2nn[nH]n2)CC1 ZINC000736145379 592991116 /nfs/dbraw/zinc/99/11/16/592991116.db2.gz UEXGMICAKNIFQL-GFCCVEGCSA-N 2 0 348.426 1.283 20 0 EDADRP O=C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnc(CC2CC[NH2+]CC2)s1 ZINC000911706644 592991870 /nfs/dbraw/zinc/99/18/70/592991870.db2.gz UERJAMVSNTXFBS-PBWFPOADSA-N 2 0 334.489 1.698 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000911707639 592992022 /nfs/dbraw/zinc/99/20/22/592992022.db2.gz OSRWXRVOIAIYQK-JEZWAEDTSA-N 2 0 331.460 1.838 20 0 EDADRP [NH3+][C@@H]1C[C@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)[C@H]2C[C@H]21 ZINC000911744307 592995541 /nfs/dbraw/zinc/99/55/41/592995541.db2.gz HFHBBCFHMRSCAJ-ZOFXXKQRSA-N 2 0 343.427 1.517 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@@H]1CCC[NH2+]1)Cc1ccc(Br)cc1 ZINC000911755254 592998380 /nfs/dbraw/zinc/99/83/80/592998380.db2.gz QPCVKBARWNIPRB-KBPBESRZSA-N 2 0 340.265 1.577 20 0 EDADRP CCCN(C(=O)c1ccc2c(c1)CC[C@H]([NH3+])C(=O)N2)[C@@H]1CC[NH2+]C1 ZINC000911769394 593001366 /nfs/dbraw/zinc/00/13/66/593001366.db2.gz VPCOGOYEUWCIDP-CABCVRRESA-N 2 0 330.432 1.113 20 0 EDADRP [NH3+][C@@H](CC(=O)NCC[C@H]1CC[NH2+]C1)Cc1cc(F)c(F)cc1F ZINC000911774393 593002583 /nfs/dbraw/zinc/00/25/83/593002583.db2.gz HNIXBMNCALFYDC-ZYHUDNBSSA-N 2 0 329.366 1.480 20 0 EDADRP C[C@@H]1CN(C(=O)/C=C\c2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000911819672 593016432 /nfs/dbraw/zinc/01/64/32/593016432.db2.gz QBCGLBAKUJFIMJ-YANQBMCKSA-N 2 0 331.460 1.836 20 0 EDADRP CN1CCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H](Cc2ccccc2)C1 ZINC000911900458 593028398 /nfs/dbraw/zinc/02/83/98/593028398.db2.gz PAXDPGRJIOQOJL-OALUTQOASA-N 2 0 343.471 1.092 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@@H]2CCC[C@@H]21 ZINC000840795218 593231904 /nfs/dbraw/zinc/23/19/04/593231904.db2.gz DZRRGLXHWWAHLD-QAETUUGQSA-N 2 0 338.492 1.865 20 0 EDADRP C=COc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000839527814 593316292 /nfs/dbraw/zinc/31/62/92/593316292.db2.gz OCJZPRGDMOBGHD-UHFFFAOYSA-N 2 0 348.447 1.099 20 0 EDADRP C[NH+](C)C[C@@H](NC(=S)NC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000806592782 593458765 /nfs/dbraw/zinc/45/87/65/593458765.db2.gz DISJHMGFUDXQKX-MRXNPFEDSA-N 2 0 338.496 1.987 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC(C)(C)[C@@H]1COCC12OCCO2 ZINC000817935445 593650271 /nfs/dbraw/zinc/65/02/71/593650271.db2.gz OHUCQDHLWORAJZ-SZMVWBNQSA-N 2 0 348.487 1.950 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000818637833 593709715 /nfs/dbraw/zinc/70/97/15/593709715.db2.gz KLIGRYWPVGVQGK-AWEZNQCLSA-N 2 0 332.448 1.383 20 0 EDADRP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000818940938 593728995 /nfs/dbraw/zinc/72/89/95/593728995.db2.gz LCOFJHLJEGUCSR-HNNXBMFYSA-N 2 0 329.485 1.725 20 0 EDADRP O[C@@H](C[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1)C1CC1 ZINC000818964919 593730840 /nfs/dbraw/zinc/73/08/40/593730840.db2.gz LGGJYOZRKXRBPS-FQEVSTJZSA-N 2 0 331.504 1.945 20 0 EDADRP COCCOC[C@H](O)C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000818983015 593732272 /nfs/dbraw/zinc/73/22/72/593732272.db2.gz AQVDBCKAPCNAFG-GOSISDBHSA-N 2 0 328.497 1.645 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819062568 593736861 /nfs/dbraw/zinc/73/68/61/593736861.db2.gz RNHHEEWDAGJHDT-INIZCTEOSA-N 2 0 327.419 1.614 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2ccc(F)cc2)ccn1 ZINC000819195339 593743725 /nfs/dbraw/zinc/74/37/25/593743725.db2.gz AHQNECJOTMWFTI-KRWDZBQOSA-N 2 0 333.407 1.984 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C[C@H](O)c2cccc(F)c2)ccn1 ZINC000819195958 593743882 /nfs/dbraw/zinc/74/38/82/593743882.db2.gz NFTHJRSAOFRHNK-KRWDZBQOSA-N 2 0 333.407 1.984 20 0 EDADRP C[N@@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)c2ccc(S(C)(=O)=O)cc2)C1 ZINC000819366960 593752166 /nfs/dbraw/zinc/75/21/66/593752166.db2.gz VBGHXSBUYZFFAH-RHSMWYFYSA-N 2 0 340.489 1.445 20 0 EDADRP C[NH+](C)C1CCC([NH2+]C[C@H](O)c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000819376075 593752348 /nfs/dbraw/zinc/75/23/48/593752348.db2.gz VYCKFIMOCIZLNW-DQPZFDDXSA-N 2 0 340.489 1.586 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000819387540 593753047 /nfs/dbraw/zinc/75/30/47/593753047.db2.gz AIWHYBCWQKDDBR-QGZVFWFLSA-N 2 0 327.419 1.614 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCCOc2cccc(-c3nn[nH]n3)c2)C1 ZINC000821583409 593869109 /nfs/dbraw/zinc/86/91/09/593869109.db2.gz UOMHLMSNCJLUIU-AWEZNQCLSA-N 2 0 330.436 1.519 20 0 EDADRP COC(=O)CC[C@H](N)c1nc(-c2ccc(-n3ccnc3)nc2)no1 ZINC000822677735 594084118 /nfs/dbraw/zinc/08/41/18/594084118.db2.gz ZWCCBIPWEOQQCB-NSHDSACASA-N 2 0 328.332 1.270 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N2CC([NH+]3CCCC3)C2)cc1 ZINC000824866646 594087105 /nfs/dbraw/zinc/08/71/05/594087105.db2.gz QHCFWMWEWLQMRX-UHFFFAOYSA-N 2 0 345.487 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCc1ncccn1 ZINC000822987083 594132248 /nfs/dbraw/zinc/13/22/48/594132248.db2.gz LPTGBXVHZWEUQY-HNNXBMFYSA-N 2 0 334.468 1.034 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)C[C@@H]1C ZINC000825760994 594240175 /nfs/dbraw/zinc/24/01/75/594240175.db2.gz GHAXTOGWMWHHMI-YVSFHVDLSA-N 2 0 338.496 1.364 20 0 EDADRP Cc1cccc(C(=O)C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000827892507 594298832 /nfs/dbraw/zinc/29/88/32/594298832.db2.gz LWMVWCJLSRDLLG-IAGOWNOFSA-N 2 0 331.460 1.376 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(Cc3cc(-c4nn[nH]n4)cs3)CC2)C1 ZINC000826029074 594310049 /nfs/dbraw/zinc/31/00/49/594310049.db2.gz NUBCTGDXWFQVEM-CQSZACIVSA-N 2 0 347.492 1.140 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CCC[NH2+]CC3)cc2)CC1 ZINC000841018656 594840137 /nfs/dbraw/zinc/84/01/37/594840137.db2.gz ZUNDENREVFTLOG-UHFFFAOYSA-N 2 0 331.464 1.656 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841790453 594953406 /nfs/dbraw/zinc/95/34/06/594953406.db2.gz WPEPKFOCMUCGIM-IRXDYDNUSA-N 2 0 338.496 1.400 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1 ZINC000841846018 594963924 /nfs/dbraw/zinc/96/39/24/594963924.db2.gz KUARZXJYJCGJCB-SFHVURJKSA-N 2 0 336.439 1.855 20 0 EDADRP [NH3+]C1(CNC(=O)N2CCC3(C2)CC[NH2+]CC3)C2CC3CC(C2)CC1C3 ZINC000842012918 595002678 /nfs/dbraw/zinc/00/26/78/595002678.db2.gz LBNILSBYJNGWTG-UHFFFAOYSA-N 2 0 346.519 1.925 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C(C)(C)C[NH3+])n3)cn2)CC1 ZINC000843204443 595034041 /nfs/dbraw/zinc/03/40/41/595034041.db2.gz ANPSDXNWWKSUNT-UHFFFAOYSA-N 2 0 330.436 1.510 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc([C@]4(F)CC[NH2+]C4)n3)cn2)CC1 ZINC000843207914 595035450 /nfs/dbraw/zinc/03/54/50/595035450.db2.gz QGVOXNRTUAGIAZ-KRWDZBQOSA-N 2 0 346.410 1.432 20 0 EDADRP Cc1nn(CCS(C)(=O)=O)c(C)c1C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000843378343 595094438 /nfs/dbraw/zinc/09/44/38/595094438.db2.gz QRKOKKWXMQMMFI-HNNXBMFYSA-N 2 0 342.509 1.105 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000844170664 595290293 /nfs/dbraw/zinc/29/02/93/595290293.db2.gz LBNSOIMAHRNNQI-QZTJIDSGSA-N 2 0 331.460 1.316 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC000844199764 595300714 /nfs/dbraw/zinc/30/07/14/595300714.db2.gz SELVIUBKUSRWTQ-ROUUACIJSA-N 2 0 337.508 1.997 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccc(-n4ccnc4)nc3)C2)C1 ZINC000844901482 595410590 /nfs/dbraw/zinc/41/05/90/595410590.db2.gz FSGDSGRDHJAFEJ-RCCFBDPRSA-N 3 0 341.459 1.986 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)(C)[NH+](C)C ZINC000845089986 595439462 /nfs/dbraw/zinc/43/94/62/595439462.db2.gz CQUSYQVMTURIGN-CYBMUJFWSA-N 2 0 344.500 1.288 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]CCN2CCC([NH+](C)C)CC2)o1 ZINC000848900310 595464755 /nfs/dbraw/zinc/46/47/55/595464755.db2.gz DETCRYCMARLEHZ-VOTSOKGWSA-N 2 0 335.448 1.581 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cnc(Cl)n1C ZINC000848911721 595466753 /nfs/dbraw/zinc/46/67/53/595466753.db2.gz XOMZDKYZPQLOGZ-CQSZACIVSA-N 2 0 327.904 1.921 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC1CN(C(=O)OC(C)(C)C)C1 ZINC000849018782 595474922 /nfs/dbraw/zinc/47/49/22/595474922.db2.gz ADUCXAFVXCFWSW-AWEZNQCLSA-N 2 0 339.484 1.452 20 0 EDADRP C[C@@H](CNC(=[NH2+])N1CCN(c2ncccn2)CC1)[NH+]1CCC(C)CC1 ZINC000849067544 595477272 /nfs/dbraw/zinc/47/72/72/595477272.db2.gz LLQLFJRVAKDGCY-INIZCTEOSA-N 2 0 345.495 1.243 20 0 EDADRP COc1ccc(CCNC(=[NH2+])NCC[N@@H+]2CC[C@@H](C)C2)cc1OC ZINC000849096786 595481153 /nfs/dbraw/zinc/48/11/53/595481153.db2.gz VMPVWIDCYRFJDF-CQSZACIVSA-N 2 0 334.464 1.702 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=[NH2+])NC2CCC2)CC1 ZINC000849110944 595483609 /nfs/dbraw/zinc/48/36/09/595483609.db2.gz PNTLKNAOWGOMMH-UHFFFAOYSA-N 2 0 329.492 1.991 20 0 EDADRP [NH2+]=C(NCC1(O)CC[NH+](Cc2ccccc2)CC1)N1CCSCC1 ZINC000849117705 595484951 /nfs/dbraw/zinc/48/49/51/595484951.db2.gz RAKHPMDQIUGYTN-UHFFFAOYSA-N 2 0 348.516 1.587 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC(C)(C)C1(O)CCOCC1 ZINC000849118058 595484966 /nfs/dbraw/zinc/48/49/66/595484966.db2.gz IFVIXKYIAZWIRY-AWEZNQCLSA-N 2 0 326.485 1.152 20 0 EDADRP C[NH+](C)CCNC(=S)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000849291844 595502505 /nfs/dbraw/zinc/50/25/05/595502505.db2.gz JJSNDONPWVFNLB-QGZVFWFLSA-N 2 0 334.533 1.671 20 0 EDADRP [NH3+]CCCCCCC[N@@H+]1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765765 595533663 /nfs/dbraw/zinc/53/36/63/595533663.db2.gz RXAKYAMDFPCGKC-QGZVFWFLSA-N 3 0 348.539 1.908 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C3CCC3)CC2)cn1 ZINC000849545180 595561244 /nfs/dbraw/zinc/56/12/44/595561244.db2.gz LNRSDFYKMLBAPU-ZWKOTPCHSA-N 2 0 345.491 1.152 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849579933 595580679 /nfs/dbraw/zinc/58/06/79/595580679.db2.gz SWOFHHSGTMPYBW-IRXDYDNUSA-N 2 0 333.480 1.008 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N2CC[NH+](C)C(C)(C)C2)cn1 ZINC000849586536 595582604 /nfs/dbraw/zinc/58/26/04/595582604.db2.gz PTMOTKRTPXFGEH-JKSUJKDBSA-N 2 0 333.480 1.008 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)[C@H]1CC[NH+](C)C[C@H]1c1cnn(C)c1 ZINC000849607028 595592896 /nfs/dbraw/zinc/59/28/96/595592896.db2.gz SRBWCPYPZMFMRY-IKGGRYGDSA-N 2 0 333.480 1.008 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000857858198 595634169 /nfs/dbraw/zinc/63/41/69/595634169.db2.gz ISQNIDVVMPPAEJ-KRWDZBQOSA-N 2 0 341.459 1.868 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[S@](=O)CC(F)(F)F ZINC000850348783 595815011 /nfs/dbraw/zinc/81/50/11/595815011.db2.gz UVXDOZIWIOVATH-QHCPKHFHSA-N 2 0 346.378 1.976 20 0 EDADRP Cn1cncc1CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000851662632 595873608 /nfs/dbraw/zinc/87/36/08/595873608.db2.gz YJKUHDVGKVUJSO-HZPDHXFCSA-N 2 0 331.395 1.504 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000851670685 595878506 /nfs/dbraw/zinc/87/85/06/595878506.db2.gz XETRBLFNLBSUMV-GOSISDBHSA-N 2 0 345.491 1.674 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000853823840 595892669 /nfs/dbraw/zinc/89/26/69/595892669.db2.gz KXVUNENTQXJNMP-YESZJQIVSA-N 2 0 341.544 1.430 20 0 EDADRP C[NH+](C)C[C@H]1COC2(CCCC2)CN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000856411548 595982269 /nfs/dbraw/zinc/98/22/69/595982269.db2.gz WJVLZMFPLLPVAP-SFHVURJKSA-N 2 0 349.519 1.963 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCn3cncn3)C2)ccn1 ZINC000856584310 596020100 /nfs/dbraw/zinc/02/01/00/596020100.db2.gz HLFCZPSLUMWKMR-KRWDZBQOSA-N 2 0 330.436 1.278 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H](COC)OC)C2)ccn1 ZINC000856583560 596020429 /nfs/dbraw/zinc/02/04/29/596020429.db2.gz JYZFWUFWYYNXIS-ROUUACIJSA-N 2 0 337.464 1.648 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000861552463 596027816 /nfs/dbraw/zinc/02/78/16/596027816.db2.gz NRSPHINSIIGSJQ-HRCADAONSA-N 2 0 348.491 1.784 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCc3c[nH]nn3)C2)ccn1 ZINC000856604881 596031837 /nfs/dbraw/zinc/03/18/37/596031837.db2.gz SVWFRURFTYCEJQ-GOSISDBHSA-N 2 0 344.463 1.736 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N(C)C[C@@H](C)[NH3+])CCCC2)CC1 ZINC000861573778 596033572 /nfs/dbraw/zinc/03/35/72/596033572.db2.gz LGYHYEONELCMGE-CQSZACIVSA-N 2 0 326.485 1.399 20 0 EDADRP Cn1cc(CNC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c(Cl)n1 ZINC000856773780 596079177 /nfs/dbraw/zinc/07/91/77/596079177.db2.gz UCZSBZFMYVNDSH-HUUCEWRRSA-N 2 0 326.872 1.931 20 0 EDADRP C[NH+](C)C[C@H](CO)NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000861718911 596079689 /nfs/dbraw/zinc/07/96/89/596079689.db2.gz SPPIYNYCXPOYKE-MSOLQXFVSA-N 2 0 345.487 1.327 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CC[N@@H+](CC[C@H]2CC2(Cl)Cl)C1 ZINC000866711053 596303800 /nfs/dbraw/zinc/30/38/00/596303800.db2.gz AOLPVBPBSSQVDT-YFKTTZPYSA-N 2 0 334.247 1.437 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@H]3C[C@]34CC[NH2+]C4)cc2F)CC1 ZINC000871012588 596438769 /nfs/dbraw/zinc/43/87/69/596438769.db2.gz XHUZSYFVAOIWRG-BEFAXECRSA-N 2 0 346.450 1.906 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000869762294 596620596 /nfs/dbraw/zinc/62/05/96/596620596.db2.gz MSRIPABQDOFJGO-HNNXBMFYSA-N 2 0 327.513 1.970 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCc3ccccc3C2)C1 ZINC000869778661 596630441 /nfs/dbraw/zinc/63/04/41/596630441.db2.gz MREXFTDTDBXYJD-SFHVURJKSA-N 2 0 345.487 1.396 20 0 EDADRP COc1ccc(C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1O ZINC000863642655 596641306 /nfs/dbraw/zinc/64/13/06/596641306.db2.gz UNKWKVZTVSEKRC-PBHICJAKSA-N 2 0 347.415 1.158 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N3C4CCC3(C[NH3+])CC4)n2)CC1 ZINC000868155272 596704574 /nfs/dbraw/zinc/70/45/74/596704574.db2.gz LVIMUEJUQAXRFD-UHFFFAOYSA-N 2 0 332.452 1.637 20 0 EDADRP C[C@H](C(=O)OC(C)(C)C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870017032 596708771 /nfs/dbraw/zinc/70/87/71/596708771.db2.gz GBAZMTFDAVAWQD-RRFJBIMHSA-N 2 0 341.496 1.162 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)[C@H]2CCCCO2)C[C@H]1C[NH+](C)C ZINC000870016179 596708911 /nfs/dbraw/zinc/70/89/11/596708911.db2.gz FGEIYMKHNGEYDW-BRWVUGGUSA-N 2 0 339.524 1.780 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H](O)CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000870018372 596710170 /nfs/dbraw/zinc/71/01/70/596710170.db2.gz PJAOJXJYVOJECJ-BZUAXINKSA-N 2 0 327.513 1.371 20 0 EDADRP CO[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccc(O)cc1 ZINC000870019547 596710813 /nfs/dbraw/zinc/71/08/13/596710813.db2.gz IISHTSISDFZMQS-NUJGCVRESA-N 2 0 349.475 1.278 20 0 EDADRP CO[C@H]1CCC[C@H](C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C1 ZINC000870018645 596710874 /nfs/dbraw/zinc/71/08/74/596710874.db2.gz UXWFGIFVSPJCBE-HZMVEIRTSA-N 2 0 325.497 1.389 20 0 EDADRP CC(C)(O)C[N@@H+]1CC[C@H](NC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868175322 596711343 /nfs/dbraw/zinc/71/13/43/596711343.db2.gz AEPUVWDFMJDOFH-HRCADAONSA-N 2 0 332.448 1.468 20 0 EDADRP C[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C(C)C)C[C@H]2c2cnn(C)c2)CCC1 ZINC000863921469 596716913 /nfs/dbraw/zinc/71/69/13/596716913.db2.gz HUQMBWWXMMMXOY-SJORKVTESA-N 2 0 347.507 1.492 20 0 EDADRP Cc1cc(C(F)(F)F)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nn1 ZINC000866012863 596757932 /nfs/dbraw/zinc/75/79/32/596757932.db2.gz STXXGZMHQNAVIV-CHWSQXEVSA-N 2 0 345.413 1.979 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCCN1C(=O)c3ccccc3C1=O)C2 ZINC000872148992 596812122 /nfs/dbraw/zinc/81/21/22/596812122.db2.gz JWPBDGIHQRRWHS-IFXJQAMLSA-N 2 0 327.428 1.604 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1C[N@@H+]([C@@H]1CCCN(Cc3ccc(F)cc3F)C1=O)C2 ZINC000872153839 596815102 /nfs/dbraw/zinc/81/51/02/596815102.db2.gz JJTMRRGJAZIBTF-POZUXBRTSA-N 2 0 349.425 1.997 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC[C@H]1CCC12CCOCC2 ZINC000876144453 597110644 /nfs/dbraw/zinc/11/06/44/597110644.db2.gz DPWXCYWAAFZCRY-MRXNPFEDSA-N 2 0 340.512 1.328 20 0 EDADRP COCC(C)(C)CCNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000876323225 597169053 /nfs/dbraw/zinc/16/90/53/597169053.db2.gz IOHSKXROBSRITI-HZPDHXFCSA-N 2 0 342.528 1.430 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CC(C)(C)CO2)C[C@H]1C[NH+](C)C ZINC000876326141 597169480 /nfs/dbraw/zinc/16/94/80/597169480.db2.gz GAAFOFMEORUFLV-BZUAXINKSA-N 2 0 340.512 1.182 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000873111390 597199421 /nfs/dbraw/zinc/19/94/21/597199421.db2.gz MSYHWTJTJIHGPW-SJORKVTESA-N 2 0 344.459 1.430 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876518372 597228159 /nfs/dbraw/zinc/22/81/59/597228159.db2.gz FNTJCMAUROPOHI-BBRMVZONSA-N 2 0 349.406 1.482 20 0 EDADRP COC(=O)C1CCC([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000873215468 597230317 /nfs/dbraw/zinc/23/03/17/597230317.db2.gz AYKVFEXVJNCECC-UHFFFAOYSA-N 2 0 343.431 1.547 20 0 EDADRP CCC[NH+]1CCC([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)CC1 ZINC000873218332 597231132 /nfs/dbraw/zinc/23/11/32/597231132.db2.gz CZLOJJDPSHKMDG-UHFFFAOYSA-N 3 0 328.464 1.690 20 0 EDADRP COCc1ccc(C[NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)o1 ZINC000873218023 597231405 /nfs/dbraw/zinc/23/14/05/597231405.db2.gz XFWBRILMBWTAON-UHFFFAOYSA-N 2 0 327.388 1.755 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC[C@@H](C(F)(F)F)O1 ZINC000873228485 597234134 /nfs/dbraw/zinc/23/41/34/597234134.db2.gz FHASRNCRVGBSCS-AGIUHOORSA-N 2 0 337.386 1.225 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(CN[C@@H]3C[C@H]([NH3+])c4ccccc43)c2)nn1 ZINC000873244385 597237729 /nfs/dbraw/zinc/23/77/29/597237729.db2.gz RMTSKYNMRZXFGI-RBUKOAKNSA-N 2 0 334.427 1.960 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@@H](CC[NH+]3C)C2)C1 ZINC000875014077 597244354 /nfs/dbraw/zinc/24/43/54/597244354.db2.gz GVQCODJIRPKIOG-GVDBMIGSSA-N 2 0 338.496 1.079 20 0 EDADRP O=c1[nH]c2c(cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCCC2 ZINC000873275407 597245872 /nfs/dbraw/zinc/24/58/72/597245872.db2.gz FIAUDEMHUUOXDX-RYQLBKOJSA-N 2 0 331.460 1.913 20 0 EDADRP CC(C)(CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000876722890 597305700 /nfs/dbraw/zinc/30/57/00/597305700.db2.gz HNYGGYLKGWANCM-WBVHZDCISA-N 2 0 333.451 1.887 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)c2c(C[NH3+])cnn2C)C1 ZINC000876736359 597313804 /nfs/dbraw/zinc/31/38/04/597313804.db2.gz JXZQUKMGHGGLHJ-XJKSGUPXSA-N 2 0 327.432 1.444 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000876747272 597319770 /nfs/dbraw/zinc/31/97/70/597319770.db2.gz ZOTUJXRWZOOHSE-HNNXBMFYSA-N 2 0 345.451 1.126 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCc2ccc(O)cc2)C[C@H]1C[NH+](C)C ZINC000875187869 597320363 /nfs/dbraw/zinc/32/03/63/597320363.db2.gz CSQLSMAUPNQYPQ-IAGOWNOFSA-N 2 0 348.491 1.316 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1cccc(O)c1 ZINC000875275453 597363971 /nfs/dbraw/zinc/36/39/71/597363971.db2.gz QWHMUOYJVZXCRP-DJIMGWMZSA-N 2 0 348.491 1.834 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876875887 597365651 /nfs/dbraw/zinc/36/56/51/597365651.db2.gz DIBPSXGWHHWEEV-QZTJIDSGSA-N 2 0 335.467 1.957 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000876885113 597369199 /nfs/dbraw/zinc/36/91/99/597369199.db2.gz VIHSKKAFKZVAIS-JKSUJKDBSA-N 2 0 333.480 1.672 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CCNC(=O)c2ccc(F)cc2)CC1 ZINC000876965048 597400287 /nfs/dbraw/zinc/40/02/87/597400287.db2.gz ZRSFIVGTIUWSDA-UHFFFAOYSA-N 2 0 337.439 1.380 20 0 EDADRP O=C(/C=C\CN1CCOCC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000876968088 597400844 /nfs/dbraw/zinc/40/08/44/597400844.db2.gz DWBAJFWANPKJQX-YYZONTRBSA-N 2 0 331.416 1.174 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCOCC1 ZINC000877015029 597412248 /nfs/dbraw/zinc/41/22/48/597412248.db2.gz WEMTWZLQXAWUFE-LSDHHAIUSA-N 2 0 337.851 1.267 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[C@H]1C(F)(F)F ZINC000877019575 597413408 /nfs/dbraw/zinc/41/34/08/597413408.db2.gz ZSZXZXSANVWNGJ-TZMCWYRMSA-N 2 0 333.398 1.847 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)COC1(C)C[NH2+]C1 ZINC000877031536 597417304 /nfs/dbraw/zinc/41/73/04/597417304.db2.gz XGFNKSXFEQLSQK-NVXWUHKLSA-N 2 0 329.444 1.508 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000875487661 597448853 /nfs/dbraw/zinc/44/88/53/597448853.db2.gz BGEUOCPWBKPUGR-CVEARBPZSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000877207384 597462617 /nfs/dbraw/zinc/46/26/17/597462617.db2.gz UVPPRXGMEJOFBV-ZIAGYGMSSA-N 2 0 342.447 1.215 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCC1 ZINC000875541658 597470734 /nfs/dbraw/zinc/47/07/34/597470734.db2.gz MYRNHPSHOLYTKD-HUUCEWRRSA-N 2 0 342.553 1.653 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C[C@H]2[NH3+])cc1 ZINC000877237909 597474165 /nfs/dbraw/zinc/47/41/65/597474165.db2.gz OTMRMASATVKVNQ-DFEHZGFQSA-N 2 0 331.460 1.821 20 0 EDADRP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000877415393 597511943 /nfs/dbraw/zinc/51/19/43/597511943.db2.gz AQUVAXBCDDZGMB-CABCVRRESA-N 2 0 341.496 1.678 20 0 EDADRP COC(=O)N1CCC(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CC1 ZINC000877518628 597529833 /nfs/dbraw/zinc/52/98/33/597529833.db2.gz KWWKKYAESGHZLC-UHFFFAOYSA-N 2 0 327.469 1.290 20 0 EDADRP Cn1c2ccc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2oc1=O ZINC000877669860 597546632 /nfs/dbraw/zinc/54/66/32/597546632.db2.gz CEBQHROZDUEZME-HZPDHXFCSA-N 2 0 346.475 1.303 20 0 EDADRP CC(C)C[N@@H+](Cc1ccc(S(N)(=O)=O)o1)CC1CC[NH+](C)CC1 ZINC000877767208 597554090 /nfs/dbraw/zinc/55/40/90/597554090.db2.gz CCLQUQFUTHYEME-UHFFFAOYSA-N 2 0 343.493 1.727 20 0 EDADRP COc1cnc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)s1 ZINC000879491811 597605768 /nfs/dbraw/zinc/60/57/68/597605768.db2.gz LPJWUOWPCHKDHB-VXGBXAGGSA-N 2 0 341.481 1.355 20 0 EDADRP c1cc(N[C@H]2CCC[N@@H+](CCN3CCOCC3)C2)c(C2CC2)c[nH+]1 ZINC000882987079 597608860 /nfs/dbraw/zinc/60/88/60/597608860.db2.gz RVOBLXDKCCPFIZ-KRWDZBQOSA-N 2 0 330.476 1.589 20 0 EDADRP CC(C)CC[C@@H]1CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000130691009 597611586 /nfs/dbraw/zinc/61/15/86/597611586.db2.gz UMZSROOXGLTZBQ-HNNXBMFYSA-N 2 0 336.480 1.861 20 0 EDADRP CC[NH+]1CCC(NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)CC1 ZINC000883066025 597637042 /nfs/dbraw/zinc/63/70/42/597637042.db2.gz GYUJXMMKLHSVTQ-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC000879590775 597647281 /nfs/dbraw/zinc/64/72/81/597647281.db2.gz DNWGFFFMDQBFMX-IBGZPJMESA-N 2 0 347.503 1.447 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)CCN1c1cc[nH+]cc1 ZINC000883135984 597663361 /nfs/dbraw/zinc/66/33/61/597663361.db2.gz RLIMHRGIPDZJLR-HOTGVXAUSA-N 2 0 343.475 1.786 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(C(C)(C)O)CC2)CC1 ZINC000879625714 597664243 /nfs/dbraw/zinc/66/42/43/597664243.db2.gz AJBPDRJYXHEWNV-UHFFFAOYSA-N 2 0 325.497 1.458 20 0 EDADRP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CCCOC1 ZINC000883207196 597685935 /nfs/dbraw/zinc/68/59/35/597685935.db2.gz HVHQBCDXFUYDCZ-KANFNMMFSA-N 2 0 340.508 1.786 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC(F)CC1 ZINC000883250495 597693866 /nfs/dbraw/zinc/69/38/66/597693866.db2.gz AZBSFKATVZFWRT-UHFFFAOYSA-N 2 0 349.454 1.737 20 0 EDADRP CCOP(=O)(OCC)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000878863669 597737987 /nfs/dbraw/zinc/73/79/87/597737987.db2.gz BJHSZVSLAWCKJU-CQSZACIVSA-N 2 0 334.397 1.989 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@H]3CCC4(CCC4)O3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000883433788 597745101 /nfs/dbraw/zinc/74/51/01/597745101.db2.gz YXDXLYMVTIMTIL-ZACQAIPSSA-N 2 0 348.491 1.308 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C[C@H](O)C[NH+]1CCCC1 ZINC000879016944 597787825 /nfs/dbraw/zinc/78/78/25/597787825.db2.gz SQSOEPCWBBEZGB-IAGOWNOFSA-N 2 0 325.497 1.018 20 0 EDADRP [NH3+]C/C=C\CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586748 597815473 /nfs/dbraw/zinc/81/54/73/597815473.db2.gz RPYVDOCCMIWPHM-NLVOMGJBSA-N 2 0 329.448 1.607 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)c1ccc(C(F)(F)F)nc1 ZINC000880102508 597841888 /nfs/dbraw/zinc/84/18/88/597841888.db2.gz FIXYRVIWBJBFRJ-NSHDSACASA-N 2 0 344.381 1.961 20 0 EDADRP CN(C(=O)C(=O)N1CCC(c2ncc[nH]2)CC1)C1(C[NH3+])CCCCC1 ZINC000883652946 597848238 /nfs/dbraw/zinc/84/82/38/597848238.db2.gz HQRPTMHUYYDMMZ-UHFFFAOYSA-N 2 0 347.463 1.236 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCN1c1cc[nH+]cc1 ZINC000883711218 597871608 /nfs/dbraw/zinc/87/16/08/597871608.db2.gz HJIGFOGVFYWXCX-YQQAZPJKSA-N 2 0 331.464 1.642 20 0 EDADRP C[N@H+](CCNC(=O)[C@@H]([NH3+])c1ccc(Br)cc1)C1CC1 ZINC000884200614 598026251 /nfs/dbraw/zinc/02/62/51/598026251.db2.gz GTQDYXBNZPFESO-ZDUSSCGKSA-N 2 0 326.238 1.659 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884202358 598026712 /nfs/dbraw/zinc/02/67/12/598026712.db2.gz XBHNZDKYKVMIKI-MFKMUULPSA-N 2 0 328.254 1.905 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000884212407 598030946 /nfs/dbraw/zinc/03/09/46/598030946.db2.gz DIFSMGLBVPLJPH-OAHLLOKOSA-N 2 0 325.497 1.757 20 0 EDADRP [NH3+][C@@H](CC1CC1)C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000884220328 598033418 /nfs/dbraw/zinc/03/34/18/598033418.db2.gz OMJHDHFFPFQQME-KRWDZBQOSA-N 2 0 344.459 1.578 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000884239388 598039403 /nfs/dbraw/zinc/03/94/03/598039403.db2.gz UELFTSWFQGZGBD-AEFFLSMTSA-N 2 0 331.460 1.889 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)[C@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884279944 598053174 /nfs/dbraw/zinc/05/31/74/598053174.db2.gz YIVILRKWQKFFPV-TZMCWYRMSA-N 2 0 326.238 1.646 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1ccnc(N3CC[NH2+]CC3)c1)CC[NH2+]CC2 ZINC000884370520 598084149 /nfs/dbraw/zinc/08/41/49/598084149.db2.gz MGLFYABSKHQSEJ-OAHLLOKOSA-N 2 0 343.475 1.095 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)N1CCC([NH2+]CCOC)CC1 ZINC000884381864 598087169 /nfs/dbraw/zinc/08/71/69/598087169.db2.gz TVVAFLCUVMAAFA-UHFFFAOYSA-N 2 0 335.448 1.125 20 0 EDADRP CCc1ccc(CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)nc1 ZINC000884463642 598112591 /nfs/dbraw/zinc/11/25/91/598112591.db2.gz NTNXPBFKZBWFTC-UHFFFAOYSA-N 2 0 325.416 1.630 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000914069730 695065239 /nfs/dbraw/zinc/06/52/39/695065239.db2.gz ZITFCMQGYFRFIA-GOEBONIOSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCO)[C@@H]2C1)[NH+]1CCCCC1 ZINC000992690994 695207961 /nfs/dbraw/zinc/20/79/61/695207961.db2.gz MSRHSUWZMMEJBE-GVDBMIGSSA-N 2 0 337.508 1.460 20 0 EDADRP CC1CC[NH+](CC(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCF)[C@H]3C2)CC1 ZINC000992850180 695407038 /nfs/dbraw/zinc/40/70/38/695407038.db2.gz BMMQANWFCOKFJZ-YESZJQIVSA-N 2 0 325.472 1.905 20 0 EDADRP O=C(N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1)C12CC[NH+](CC1)C2 ZINC000992853185 695408812 /nfs/dbraw/zinc/40/88/12/695408812.db2.gz DXDRADMJUKAJOW-USXIJHARSA-N 2 0 344.459 1.487 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccnn2CC[NH+](C)C)CCN1c1cc[nH+]cc1 ZINC000915260678 695775062 /nfs/dbraw/zinc/77/50/62/695775062.db2.gz BNNKYQPWGVGXOP-OAHLLOKOSA-N 2 0 342.447 1.191 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H]1CCC[NH+](Cc2cccs2)C1 ZINC000915457302 695826313 /nfs/dbraw/zinc/82/63/13/695826313.db2.gz AKOAYEHYEOAHHA-LSDHHAIUSA-N 2 0 336.505 1.963 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)CCC[N@@H+]1CCC1CC1 ZINC000993370273 696020997 /nfs/dbraw/zinc/02/09/97/696020997.db2.gz WIULZGKZIQAKOV-NVXWUHKLSA-N 2 0 347.507 1.828 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC001015654943 696030892 /nfs/dbraw/zinc/03/08/92/696030892.db2.gz JECYKNHJSHNYKI-HIFRSBDPSA-N 2 0 329.435 1.954 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CCC[N@@H+]1CCCO ZINC000993619190 696262354 /nfs/dbraw/zinc/26/23/54/696262354.db2.gz FSOPYIJTXXLTBI-VQIMIIECSA-N 2 0 347.503 1.756 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)CN2CCCC2)CCC[N@@H+]1Cc1ccc(CO)cc1 ZINC000994404695 696827725 /nfs/dbraw/zinc/82/77/25/696827725.db2.gz GRPOGXCYVAODGS-APWZRJJASA-N 2 0 345.487 1.744 20 0 EDADRP Cc1ccncc1C[N@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)[C@@H]1C ZINC000994505073 696947874 /nfs/dbraw/zinc/94/78/74/696947874.db2.gz IGNIPQPSUUVCBA-DOTOQJQBSA-N 2 0 327.432 1.756 20 0 EDADRP C[C@@H]1[C@H](NC(=O)Cn2ccnc2)CCC[N@@H+]1CCOc1ccccc1 ZINC000994505730 696948951 /nfs/dbraw/zinc/94/89/51/696948951.db2.gz KIMRVYFWTCLBIW-SJLPKXTDSA-N 2 0 342.443 1.931 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)CC1 ZINC000917413280 697014379 /nfs/dbraw/zinc/01/43/79/697014379.db2.gz ZLUHCTIZZLCVSK-DZGCQCFKSA-N 2 0 326.485 1.268 20 0 EDADRP C[C@H](CNC(=O)NC1CCN(CC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000918121851 697133886 /nfs/dbraw/zinc/13/38/86/697133886.db2.gz OJPYGCKIPBRAOQ-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000918465554 697169435 /nfs/dbraw/zinc/16/94/35/697169435.db2.gz PLCCTIPOSJODOA-OAHLLOKOSA-N 2 0 346.475 1.677 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)cc1 ZINC001031579891 697275499 /nfs/dbraw/zinc/27/54/99/697275499.db2.gz NXECGVYOPLBWIV-SFHVURJKSA-N 2 0 331.460 1.475 20 0 EDADRP O=C(NCC1C[NH+](C[C@H]2CCOC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001031730213 698067228 /nfs/dbraw/zinc/06/72/28/698067228.db2.gz HEKAIZHGNOQUQG-QAPCUYQASA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940108531 700220868 /nfs/dbraw/zinc/22/08/68/700220868.db2.gz GDOHTMNFDCVJHN-MRXNPFEDSA-N 2 0 345.491 1.820 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H]3CCCOC3)C2)CC1 ZINC001032094608 698599452 /nfs/dbraw/zinc/59/94/52/698599452.db2.gz LBVLJYSKCGRQFH-INIZCTEOSA-N 2 0 337.508 1.581 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3ncccn3)CC2)CC[N@@H+]1C ZINC000940123556 700256855 /nfs/dbraw/zinc/25/68/55/700256855.db2.gz LWSJQBCTCBAZAR-JKSUJKDBSA-N 2 0 345.491 1.678 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](Cc3cncn3C)C[C@@H]2C)CC1 ZINC000943755447 698828692 /nfs/dbraw/zinc/82/86/92/698828692.db2.gz DUNAGTAHMNOZRN-WMZOPIPTSA-N 2 0 347.507 1.479 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2C[C@@]23CCOC3)C1)C12CCC[NH+](CCC1)C2 ZINC001031764681 699049870 /nfs/dbraw/zinc/04/98/70/699049870.db2.gz KCIFIYGDKJQRIY-FXAWDEMLSA-N 2 0 347.503 1.337 20 0 EDADRP CCc1nocc1CN1CC(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001031766467 699062693 /nfs/dbraw/zinc/06/26/93/699062693.db2.gz JLMIRPKEMVBGTL-FUHWJXTLSA-N 2 0 346.475 1.802 20 0 EDADRP C[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cncc(F)c1 ZINC000939055498 699116695 /nfs/dbraw/zinc/11/66/95/699116695.db2.gz ZMURZYDGPGBBQT-CXAGYDPISA-N 2 0 334.439 1.499 20 0 EDADRP CC[C@@H](C)C[NH+]1CC(N2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000941566492 701585318 /nfs/dbraw/zinc/58/53/18/701585318.db2.gz FBWUJDJMTRCROV-IAGOWNOFSA-N 2 0 336.524 1.345 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC000939256870 699433819 /nfs/dbraw/zinc/43/38/19/699433819.db2.gz FTTFRKTZIBHERU-GUYCJALGSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@H]2C)nn1C ZINC000939396522 699546407 /nfs/dbraw/zinc/54/64/07/699546407.db2.gz JSLKIHUDZMLREJ-CRAIPNDOSA-N 2 0 347.507 1.397 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000939399568 699548780 /nfs/dbraw/zinc/54/87/80/699548780.db2.gz YTZFNMOVSBLLTL-MAUKXSAKSA-N 2 0 348.466 1.889 20 0 EDADRP COc1ncccc1C[NH2+][C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939543215 699684193 /nfs/dbraw/zinc/68/41/93/699684193.db2.gz BMYZUUXJPWEMRN-ZBFHGGJFSA-N 2 0 344.459 1.123 20 0 EDADRP COCc1cccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)c1 ZINC000939753719 699903538 /nfs/dbraw/zinc/90/35/38/699903538.db2.gz HTKREALZFUJUSK-LPHOPBHVSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccccn1 ZINC000939810354 699958665 /nfs/dbraw/zinc/95/86/65/699958665.db2.gz LVYGIBCRTAIPAH-AEFFLSMTSA-N 2 0 330.476 1.894 20 0 EDADRP CCc1nnc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC000940148670 700281723 /nfs/dbraw/zinc/28/17/23/700281723.db2.gz CIBCRWJPLJQUEX-UHFFFAOYSA-N 2 0 349.479 1.587 20 0 EDADRP Cn1ncnc1C[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940159464 700292163 /nfs/dbraw/zinc/29/21/63/700292163.db2.gz KCNLLXOZOQQVIV-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1)[NH+](C)C ZINC000940164682 700299499 /nfs/dbraw/zinc/29/94/99/700299499.db2.gz UPYQTYQYPDGZOY-INIZCTEOSA-N 2 0 335.496 1.477 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ncc(C)cn2)CC1)[NH+](C)C ZINC000940176825 700309765 /nfs/dbraw/zinc/30/97/65/700309765.db2.gz QEEQIABCQOPRRQ-OAHLLOKOSA-N 2 0 333.480 1.596 20 0 EDADRP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccn(CC)n2)CC1)[NH+](C)C ZINC000940177141 700309935 /nfs/dbraw/zinc/30/99/35/700309935.db2.gz WTSQLPODDGGENJ-MRXNPFEDSA-N 2 0 335.496 1.714 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC000940178125 700311815 /nfs/dbraw/zinc/31/18/15/700311815.db2.gz CLAQHWJFUONXPK-MRXNPFEDSA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1 ZINC000940178868 700312325 /nfs/dbraw/zinc/31/23/25/700312325.db2.gz NYNOLOJUFGBCES-ZDUSSCGKSA-N 2 0 337.493 1.493 20 0 EDADRP CCc1nnc(CN2CCC[C@@H](N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000948244728 700456142 /nfs/dbraw/zinc/45/61/42/700456142.db2.gz JBBXQDIVRQHHEQ-CABCVRRESA-N 2 0 349.479 1.539 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)on1 ZINC000940296786 700469190 /nfs/dbraw/zinc/46/91/90/700469190.db2.gz WUQUJYGWUXVSPA-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP O=C(N[C@@H]1CC[C@H](C[NH2+]Cc2cccnc2)C1)C12CC[NH+](CC1)C2 ZINC000995169139 701645904 /nfs/dbraw/zinc/64/59/04/701645904.db2.gz RAQZTRKQORXFNO-DOTOQJQBSA-N 2 0 328.460 1.552 20 0 EDADRP CCn1ccnc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000940328429 700506719 /nfs/dbraw/zinc/50/67/19/700506719.db2.gz JZECIOOUIKKEKH-MRXNPFEDSA-N 2 0 347.507 1.858 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccn(C)n2)CC1 ZINC000940328962 700507985 /nfs/dbraw/zinc/50/79/85/700507985.db2.gz OWBXTFBEPRHBLO-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000940329897 700509527 /nfs/dbraw/zinc/50/95/27/700509527.db2.gz ZNCLPAANQNKNJL-WMLDXEAASA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC2CCOCC2)CC1)[NH+](C)C ZINC000940335130 700515439 /nfs/dbraw/zinc/51/54/39/700515439.db2.gz UOZSEIQRXDESMP-INIZCTEOSA-N 2 0 325.497 1.724 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000940365658 700546838 /nfs/dbraw/zinc/54/68/38/700546838.db2.gz KHWZQWZCUHLWBC-UHFFFAOYSA-N 2 0 347.507 1.623 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000940427612 700621821 /nfs/dbraw/zinc/62/18/21/700621821.db2.gz MHOHTZVODLACEU-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cn(C)nn2)CC1 ZINC000940472535 700657821 /nfs/dbraw/zinc/65/78/21/700657821.db2.gz BWDFVKCTGRBVKY-MRXNPFEDSA-N 2 0 348.495 1.160 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000940461847 700665263 /nfs/dbraw/zinc/66/52/63/700665263.db2.gz NYUIYKXFSSFIFP-AWEZNQCLSA-N 2 0 348.495 1.351 20 0 EDADRP CC1([NH2+]Cc2ncc(C3CC3)o2)CCN(C(=O)Cn2ccnc2)CC1 ZINC000940482706 700670743 /nfs/dbraw/zinc/67/07/43/700670743.db2.gz MUEVPVGNHDPEPV-UHFFFAOYSA-N 2 0 343.431 1.919 20 0 EDADRP Cn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081418 700711319 /nfs/dbraw/zinc/71/13/19/700711319.db2.gz UZRWMIKRAWYBAS-HOCLYGCPSA-N 2 0 333.480 1.136 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)[C@@H]3CCCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940842828 700939159 /nfs/dbraw/zinc/93/91/59/700939159.db2.gz QAZGMOTWXODAHN-IRXDYDNUSA-N 2 0 347.507 1.621 20 0 EDADRP CC1(C)C[N@H+](CCF)CC[C@H]1NC(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC000940901328 700976426 /nfs/dbraw/zinc/97/64/26/700976426.db2.gz MEQTWVXNYICYHO-QRHJNKNDSA-N 2 0 339.455 1.036 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N[C@H]2CC[NH+](CCO)CC2(C)C)C1 ZINC000941026466 701065727 /nfs/dbraw/zinc/06/57/27/701065727.db2.gz KMQATNIZSNINQU-KBXCAEBGSA-N 2 0 343.487 1.408 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CC[C@H](C[NH2+]Cc2ccon2)C1 ZINC000995170743 701686252 /nfs/dbraw/zinc/68/62/52/701686252.db2.gz XTDYCIGPQPYTFY-UONOGXRCSA-N 2 0 343.431 1.824 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000941075473 701102855 /nfs/dbraw/zinc/10/28/55/701102855.db2.gz MNZJBVDOWBBQJI-HOTGVXAUSA-N 2 0 325.497 1.458 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NCC1C[NH+](C[C@@H]2CCCOC2)C1 ZINC001031931100 701378365 /nfs/dbraw/zinc/37/83/65/701378365.db2.gz FKXJXWPFVXBFQP-AWEZNQCLSA-N 2 0 335.448 1.429 20 0 EDADRP Cc1oncc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941215912 701402195 /nfs/dbraw/zinc/40/21/95/701402195.db2.gz BGJCLQBNKJAEKD-HOCLYGCPSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3C[NH+]4CCC3CC4)C2)c1 ZINC000999170446 706600051 /nfs/dbraw/zinc/60/00/51/706600051.db2.gz QOQVFLGTPLEZKC-OALUTQOASA-N 2 0 342.487 1.812 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000999173619 706604747 /nfs/dbraw/zinc/60/47/47/706604747.db2.gz KLKSGUFWGSGQFC-ZWKOTPCHSA-N 2 0 343.475 1.207 20 0 EDADRP Cc1cnc(CN[C@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nc1 ZINC000999174038 706605664 /nfs/dbraw/zinc/60/56/64/706605664.db2.gz NJQGZKPWPXVFRH-DLBZAZTESA-N 2 0 343.475 1.207 20 0 EDADRP CCN1CCO[C@@H](C(=O)NCC2C[NH+](C/C=C\c3ccccc3)C2)C1 ZINC001032201508 701832153 /nfs/dbraw/zinc/83/21/53/701832153.db2.gz GIVXXSGWOHONFA-WMHRWZGDSA-N 2 0 343.471 1.469 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2cncs2)C1 ZINC000999176557 706618467 /nfs/dbraw/zinc/61/84/67/706618467.db2.gz WTTHOESQMZYWSL-GOEBONIOSA-N 2 0 334.489 1.566 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1C[NH+](CCOc2ccc(F)cc2)C1 ZINC001031977133 702012547 /nfs/dbraw/zinc/01/25/47/702012547.db2.gz XBYMIGPARWLAFC-RDTXWAMCSA-N 2 0 349.450 1.450 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cncn3C)C(C)(C)C2)CC[N@@H+]1C ZINC000995824266 702094628 /nfs/dbraw/zinc/09/46/28/702094628.db2.gz HPIXUSRVXFVEIA-BBWFWOEESA-N 2 0 347.507 1.477 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]CCc3ccnn3C)C2)CC[N@@H+]1C ZINC000999201996 706646169 /nfs/dbraw/zinc/64/61/69/706646169.db2.gz UJYPKQPRBILDNK-BPQIPLTHSA-N 2 0 347.507 1.274 20 0 EDADRP CC1(C)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1[NH2+]CC1CC1 ZINC000995900522 702206178 /nfs/dbraw/zinc/20/61/78/702206178.db2.gz YHTVRRLQEKBDSD-ROUUACIJSA-N 2 0 349.519 1.866 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)C[C@@H]1[NH2+]CCF ZINC000995891182 702233567 /nfs/dbraw/zinc/23/35/67/702233567.db2.gz CPNFTUQTHLVDMX-CVEARBPZSA-N 2 0 341.471 1.426 20 0 EDADRP C[N@H+](CC(=O)N1C[C@H]([NH2+]Cc2cncs2)C(C)(C)C1)C1CCC1 ZINC000995920197 702241606 /nfs/dbraw/zinc/24/16/06/702241606.db2.gz TXNBPGOHAYNOAL-HNNXBMFYSA-N 2 0 336.505 1.954 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000995921791 702244156 /nfs/dbraw/zinc/24/41/56/702244156.db2.gz CCNHZAVLJPPKTO-CVEARBPZSA-N 2 0 335.496 1.333 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCOCC2)C(C)(C)C1)[NH+](C)C ZINC000995946837 702294379 /nfs/dbraw/zinc/29/43/79/702294379.db2.gz HPXFJDXSKJRRPP-HZPDHXFCSA-N 2 0 325.497 1.580 20 0 EDADRP Cc1ccccc1OCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186080 702314304 /nfs/dbraw/zinc/31/43/04/702314304.db2.gz HNTRSBAWVOUHJE-KRWDZBQOSA-N 2 0 331.460 1.374 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cncc(OC)n2)C(C)(C)C1)[NH+](C)C ZINC000995951918 702314992 /nfs/dbraw/zinc/31/49/92/702314992.db2.gz QPPGESFYFZRLPA-CABCVRRESA-N 2 0 349.479 1.152 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C[C@H]3CCCCO3)C2)CC1 ZINC001015929925 702319840 /nfs/dbraw/zinc/31/98/40/702319840.db2.gz FMXWCJUVWCZDNP-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](O)C[NH2+][C@@H]1CN(C(=O)c2ccccc2CC[NH+](C)C)CC1(C)C ZINC000996102744 702520857 /nfs/dbraw/zinc/52/08/57/702520857.db2.gz VWIUDFMJGWJNJJ-CRAIPNDOSA-N 2 0 347.503 1.612 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CC3CCOCC3)C(C)(C)C2)CC1 ZINC000996220300 702632243 /nfs/dbraw/zinc/63/22/43/702632243.db2.gz FJSFUJVMRYWXQI-KRWDZBQOSA-N 2 0 337.508 1.581 20 0 EDADRP CCCn1ncnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995211163 702686122 /nfs/dbraw/zinc/68/61/22/702686122.db2.gz NMSBKFJMEGMJSY-HOTGVXAUSA-N 2 0 348.495 1.158 20 0 EDADRP COc1ccnc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)c1 ZINC000995210506 702686164 /nfs/dbraw/zinc/68/61/64/702686164.db2.gz MDQBKFGEXJSLLV-CVEARBPZSA-N 2 0 346.475 1.561 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1(C)C ZINC000996300477 702692339 /nfs/dbraw/zinc/69/23/39/702692339.db2.gz MTVFHYJNZOAMMD-ZBFHGGJFSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1(C)C ZINC000996300544 702692349 /nfs/dbraw/zinc/69/23/49/702692349.db2.gz NPEXQXKIJNHHFU-YOEHRIQHSA-N 2 0 347.507 1.397 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C ZINC000996355817 702733498 /nfs/dbraw/zinc/73/34/98/702733498.db2.gz NVBUGFJGOGWPER-OAHLLOKOSA-N 2 0 328.420 1.077 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996516982 702852270 /nfs/dbraw/zinc/85/22/70/702852270.db2.gz DADGJNVVKWCWCZ-YOEHRIQHSA-N 2 0 348.491 1.905 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000996559792 702878051 /nfs/dbraw/zinc/87/80/51/702878051.db2.gz FJWURBWCTNWGPH-MAUKXSAKSA-N 2 0 335.492 1.335 20 0 EDADRP Cc1ncsc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996608516 702911991 /nfs/dbraw/zinc/91/19/91/702911991.db2.gz CYOZXRPAGLOJQA-HNNXBMFYSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC([NH2+]CCc3ccns3)CC2)CC[N@@H+]1C ZINC000996608840 702915075 /nfs/dbraw/zinc/91/50/75/702915075.db2.gz TWORERKSAZSJEY-CZUORRHYSA-N 2 0 336.505 1.606 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]CCc2ccns2)CC1)C1CCC1 ZINC000996673795 702969148 /nfs/dbraw/zinc/96/91/48/702969148.db2.gz XJLYHWCFGUJCIA-UHFFFAOYSA-N 2 0 336.505 1.751 20 0 EDADRP C[N@H+](CC(=O)N1CCC([NH2+]C[C@@H]2C[C@]23CCOC3)CC1)C1CCC1 ZINC000996672920 702973973 /nfs/dbraw/zinc/97/39/73/702973973.db2.gz QGFAYUPNQHRVCQ-KXBFYZLASA-N 2 0 335.492 1.478 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)c1 ZINC000996676751 702975764 /nfs/dbraw/zinc/97/57/64/702975764.db2.gz HZWOJDYHACKDNA-SFHVURJKSA-N 2 0 346.475 1.511 20 0 EDADRP Cn1cc(CC[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996692357 702989902 /nfs/dbraw/zinc/98/99/02/702989902.db2.gz XSNLEYFWYVMJTK-GOSISDBHSA-N 2 0 347.507 1.418 20 0 EDADRP O=C([C@@H](C1CC1)[NH+]1CCCC1)N1CCC([NH2+]C[C@@H]2CCOC2)CC1 ZINC000996839500 703126592 /nfs/dbraw/zinc/12/65/92/703126592.db2.gz ATZOQCKXVKTGBU-MAUKXSAKSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)o1 ZINC000996921432 703192405 /nfs/dbraw/zinc/19/24/05/703192405.db2.gz JQRBZPCMBJQXMS-ZFWWWQNUSA-N 2 0 334.464 1.794 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3cncc(F)c3)CC2)CC1 ZINC000996945357 703214137 /nfs/dbraw/zinc/21/41/37/703214137.db2.gz IENKJMYCYZQILE-UHFFFAOYSA-N 2 0 334.439 1.643 20 0 EDADRP Cc1cccnc1C[NH2+]C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000996947064 703216849 /nfs/dbraw/zinc/21/68/49/703216849.db2.gz RPYDJBAXURRZMM-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)o1 ZINC000996957232 703220398 /nfs/dbraw/zinc/22/03/98/703220398.db2.gz YUSZBEJOXHVZOJ-GFCCVEGCSA-N 2 0 335.452 1.361 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@@H]1NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000942718129 703232010 /nfs/dbraw/zinc/23/20/10/703232010.db2.gz BVGQVHCEERDKRW-LPHOPBHVSA-N 2 0 347.503 1.613 20 0 EDADRP COc1cncc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000996964571 703232880 /nfs/dbraw/zinc/23/28/80/703232880.db2.gz LERJPSVBBLGCJJ-QGZVFWFLSA-N 2 0 349.479 1.152 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)oc1C ZINC000996979061 703234371 /nfs/dbraw/zinc/23/43/71/703234371.db2.gz QMGMADNBVJOREP-QGZVFWFLSA-N 2 0 336.480 1.958 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCc2cnn(C)c2)CC1 ZINC000996981837 703236660 /nfs/dbraw/zinc/23/66/60/703236660.db2.gz YBGZKKGZPHWKSV-QAPCUYQASA-N 2 0 347.507 1.274 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996993232 703249805 /nfs/dbraw/zinc/24/98/05/703249805.db2.gz BWNPNNLQBKNPDC-HNNXBMFYSA-N 2 0 346.475 1.655 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC000996993803 703250520 /nfs/dbraw/zinc/25/05/20/703250520.db2.gz FPWYHZATDJVXSH-HNNXBMFYSA-N 2 0 333.480 1.468 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000996995741 703252372 /nfs/dbraw/zinc/25/23/72/703252372.db2.gz QBUXAIDKWPXAAI-CYBMUJFWSA-N 2 0 334.464 1.714 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC000996996308 703259808 /nfs/dbraw/zinc/25/98/08/703259808.db2.gz XUUUJXVLNOHONO-CQSZACIVSA-N 2 0 334.464 1.802 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000997058545 703304056 /nfs/dbraw/zinc/30/40/56/703304056.db2.gz SLOYLBJPZCCINO-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCn2cncn2)CC1 ZINC000997060286 703305482 /nfs/dbraw/zinc/30/54/82/703305482.db2.gz GFCVBMQMIGEHJG-QGZVFWFLSA-N 2 0 348.495 1.122 20 0 EDADRP CCC[NH+]1CCC([C@@H](C)NC(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000997092832 703340016 /nfs/dbraw/zinc/34/00/16/703340016.db2.gz DRTGDCVFRFXIMT-OAHLLOKOSA-N 2 0 335.496 1.685 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)CC1 ZINC000997115561 703369458 /nfs/dbraw/zinc/36/94/58/703369458.db2.gz NUDJGSDEXTWGHN-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921529690 703390290 /nfs/dbraw/zinc/39/02/90/703390290.db2.gz OGSXDVLHGBPJCD-AWEZNQCLSA-N 2 0 348.520 1.659 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2C[NH+](CC[C@H]3CCCO3)C2)cc1 ZINC001032052811 703396403 /nfs/dbraw/zinc/39/64/03/703396403.db2.gz BMCJCNLTMVSWKF-LJQANCHMSA-N 2 0 345.487 1.979 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000997172357 703454118 /nfs/dbraw/zinc/45/41/18/703454118.db2.gz ZAPMUXSIBZYOME-DOTOQJQBSA-N 2 0 325.497 1.602 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997185181 703474216 /nfs/dbraw/zinc/47/42/16/703474216.db2.gz RGVVDBDCXIVJFZ-OAHLLOKOSA-N 2 0 348.491 1.968 20 0 EDADRP O=C(N1CCC([NH2+]CC2CC(F)(F)C2)CC1)C12CC[NH+](CC1)C2 ZINC000997185829 703475029 /nfs/dbraw/zinc/47/50/29/703475029.db2.gz FVKXTUJSOBXZNC-UHFFFAOYSA-N 2 0 327.419 1.708 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N[C@H](C)C2CC[NH+](CC3CC3)CC2)C1 ZINC000997271163 703533774 /nfs/dbraw/zinc/53/37/74/703533774.db2.gz GPHWTSUSKSYXIP-CRAIPNDOSA-N 2 0 337.508 1.722 20 0 EDADRP C[NH+](C)CCCC(=O)NC[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001060822281 703537745 /nfs/dbraw/zinc/53/77/45/703537745.db2.gz WWGLNSFMORDWAK-WKILWMFISA-N 2 0 340.512 1.071 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3ccc(F)c(F)c3)CC2)C1 ZINC000997296754 703555358 /nfs/dbraw/zinc/55/53/58/703555358.db2.gz BSFZRTDNVLESLJ-CQSZACIVSA-N 2 0 337.414 1.997 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)co1 ZINC000997361609 703595698 /nfs/dbraw/zinc/59/56/98/703595698.db2.gz WSWKKVIPIKLGSB-KBPBESRZSA-N 2 0 334.464 1.936 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000997366833 703600852 /nfs/dbraw/zinc/60/08/52/703600852.db2.gz NHXUZNZVPKKHGA-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997368152 703604907 /nfs/dbraw/zinc/60/49/07/703604907.db2.gz QFDCDZZWHDZLDE-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CC(F)(F)C1)C1CC1 ZINC001032445959 703614800 /nfs/dbraw/zinc/61/48/00/703614800.db2.gz SOLOUPKCNYOZEM-SOUVJXGZSA-N 2 0 327.419 1.657 20 0 EDADRP CCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032444127 703621180 /nfs/dbraw/zinc/62/11/80/703621180.db2.gz LSCYTKHGKMDIOY-OKZBNKHCSA-N 2 0 335.492 1.715 20 0 EDADRP CCOC1CC(C[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC000997611461 703911284 /nfs/dbraw/zinc/91/12/84/703911284.db2.gz FSZHOFKEKYCADK-ABHNRTSZSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)o1 ZINC000995551990 703958650 /nfs/dbraw/zinc/95/86/50/703958650.db2.gz PIFMBCDZNCDPJH-HOCLYGCPSA-N 2 0 334.464 1.712 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CCF)C[C@H]2CC1 ZINC000946586621 704120187 /nfs/dbraw/zinc/12/01/87/704120187.db2.gz PFFHYKCAZNULBC-IXDOHACOSA-N 2 0 325.472 1.999 20 0 EDADRP Cc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)ncn1 ZINC001033091109 704165403 /nfs/dbraw/zinc/16/54/03/704165403.db2.gz GXVIDIADWXJTKZ-HYVNUMGLSA-N 2 0 331.464 1.158 20 0 EDADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@H]4CO3)CC[C@@H]2C1 ZINC000946598070 704310781 /nfs/dbraw/zinc/31/07/81/704310781.db2.gz WQEWUNFTJSFESG-XWTMOSNGSA-N 2 0 335.492 1.428 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2conc2C)C1 ZINC000999309004 706809957 /nfs/dbraw/zinc/80/99/57/706809957.db2.gz TYGZASYYTRIUPS-IRXDYDNUSA-N 2 0 334.464 1.938 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2conc2C)C1 ZINC000999309000 706809999 /nfs/dbraw/zinc/80/99/99/706809999.db2.gz TYGZASYYTRIUPS-DLBZAZTESA-N 2 0 334.464 1.938 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC([C@H]3CCC[N@@H+]3CCCO)CC2)CCC1 ZINC001004459396 704453002 /nfs/dbraw/zinc/45/30/02/704453002.db2.gz UGEIJEHHQKDNEL-QGZVFWFLSA-N 2 0 337.508 1.556 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nn1C ZINC000997784432 704688081 /nfs/dbraw/zinc/68/80/81/704688081.db2.gz FMNYQWUGXKDRSJ-CRAIPNDOSA-N 2 0 347.507 1.397 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccon3)CC2)CC[N@@H+]1C ZINC000997791878 704700336 /nfs/dbraw/zinc/70/03/36/704700336.db2.gz AHJPCNNBDIACES-DLBZAZTESA-N 2 0 334.464 1.733 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1)C1CC1 ZINC000997832043 704750536 /nfs/dbraw/zinc/75/05/36/704750536.db2.gz XUBRADQEIBJLBJ-GOSISDBHSA-N 2 0 330.476 1.750 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000997856151 704764480 /nfs/dbraw/zinc/76/44/80/704764480.db2.gz QZRVPPDIGJUYJA-GOSISDBHSA-N 2 0 347.507 1.498 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2nnc(C3CC3)[nH]2)CC1)[NH+](C)C ZINC000997854498 704766375 /nfs/dbraw/zinc/76/63/75/704766375.db2.gz FVIGYXIKVQWTJU-OAHLLOKOSA-N 2 0 348.495 1.351 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(CO)cc2)CC[C@@H]1NC(=O)C[NH+]1CCCC1 ZINC000944918445 704769668 /nfs/dbraw/zinc/76/96/68/704769668.db2.gz JCBXWTUIZYOTMJ-APWZRJJASA-N 2 0 345.487 1.601 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]Cc2cncc(F)c2)CC1)[NH+](C)C ZINC000997857209 704769811 /nfs/dbraw/zinc/76/98/11/704769811.db2.gz YGYNFAUTLDKEHO-QGZVFWFLSA-N 2 0 336.455 1.889 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000997864377 704770765 /nfs/dbraw/zinc/77/07/65/704770765.db2.gz GHFQNQDOUXSEBZ-QGZVFWFLSA-N 2 0 347.507 1.716 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1ncccn1 ZINC000997866089 704772803 /nfs/dbraw/zinc/77/28/03/704772803.db2.gz QCMUAWZIROYFDV-DOTOQJQBSA-N 2 0 345.491 1.850 20 0 EDADRP Cc1cc(CN2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)nn1C ZINC000944942575 704794589 /nfs/dbraw/zinc/79/45/89/704794589.db2.gz BIVOUSUHUICYDH-YOEHRIQHSA-N 2 0 333.480 1.151 20 0 EDADRP C[C@@H]1CN(Cc2ncc(C3CC3)o2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000944942532 704794668 /nfs/dbraw/zinc/79/46/68/704794668.db2.gz ARGCAIAQECGABY-GDBMZVCRSA-N 2 0 346.475 1.974 20 0 EDADRP Cc1ccncc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000944943652 704796322 /nfs/dbraw/zinc/79/63/22/704796322.db2.gz JHQLVCXROLNYHE-FUHWJXTLSA-N 2 0 330.476 1.812 20 0 EDADRP CCc1onc(C)c1C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944944565 704797420 /nfs/dbraw/zinc/79/74/20/704797420.db2.gz NIHYAMAOUJFSMO-PBHICJAKSA-N 2 0 348.491 1.968 20 0 EDADRP CCc1nocc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945508 704798585 /nfs/dbraw/zinc/79/85/85/704798585.db2.gz RQOOHRIPTXIAQB-RHSMWYFYSA-N 2 0 334.464 1.659 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@H]2CCCCO2)CC[N@@H+]1C ZINC001032588517 705143462 /nfs/dbraw/zinc/14/34/62/705143462.db2.gz GAFLOJFVEXOSLL-KFGODFMUSA-N 2 0 335.492 1.571 20 0 EDADRP CN(C)Cc1ccoc1C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1 ZINC001032592739 705200154 /nfs/dbraw/zinc/20/01/54/705200154.db2.gz SSAKOSIUYGYLGM-IRXDYDNUSA-N 2 0 347.459 1.667 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CCC[N@H+](CC(N)=O)CC1 ZINC000998018474 705201916 /nfs/dbraw/zinc/20/19/16/705201916.db2.gz VJAQLWKMZJNZQA-JKSUJKDBSA-N 2 0 338.496 1.048 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000998032324 705218002 /nfs/dbraw/zinc/21/80/02/705218002.db2.gz RRNNBQQBBNVPAG-CQSZACIVSA-N 2 0 348.495 1.046 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000998040281 705229110 /nfs/dbraw/zinc/22/91/10/705229110.db2.gz OKUIEFULCMUIPR-GOSISDBHSA-N 2 0 347.507 1.699 20 0 EDADRP CCN(C(=O)c1cccc2nccn21)[C@H]1CCC[N@H+](CCO)CC1 ZINC000998065987 705278610 /nfs/dbraw/zinc/27/86/10/705278610.db2.gz ZUUPBLBFKZSTJY-HNNXBMFYSA-N 2 0 330.432 1.643 20 0 EDADRP Cc1ncoc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000998081654 705303340 /nfs/dbraw/zinc/30/33/40/705303340.db2.gz KZRIXPHTRKTPKT-AWEZNQCLSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)ncn1 ZINC000998079657 705304158 /nfs/dbraw/zinc/30/41/58/705304158.db2.gz SNRISOVITXPCLN-RDTXWAMCSA-N 2 0 345.491 1.311 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084099 705314540 /nfs/dbraw/zinc/31/45/40/705314540.db2.gz ZOCRSUWKQSHQBT-HUUCEWRRSA-N 2 0 348.495 1.189 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)co1 ZINC000998217254 705539657 /nfs/dbraw/zinc/53/96/57/705539657.db2.gz NYBPQLGFXUXSBN-INIZCTEOSA-N 2 0 334.464 1.653 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000998217959 705540997 /nfs/dbraw/zinc/54/09/97/705540997.db2.gz UTWPVYDTZVJMTE-MRXNPFEDSA-N 2 0 333.480 1.090 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)c1cnccn1 ZINC000998265408 705632248 /nfs/dbraw/zinc/63/22/48/705632248.db2.gz MGPQYRFNNOAMNK-GDBMZVCRSA-N 2 0 331.464 1.318 20 0 EDADRP CCc1nc(C)c(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998267709 705638827 /nfs/dbraw/zinc/63/88/27/705638827.db2.gz ZDPXMPVWMYTANB-MRXNPFEDSA-N 2 0 348.491 1.825 20 0 EDADRP CCOC1CC(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC000998267927 705639412 /nfs/dbraw/zinc/63/94/12/705639412.db2.gz ALDQQAQWLWQITO-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000998268059 705640171 /nfs/dbraw/zinc/64/01/71/705640171.db2.gz AJYONDHGUXADGP-OAHLLOKOSA-N 2 0 334.464 1.517 20 0 EDADRP CCc1nc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000998534009 705968315 /nfs/dbraw/zinc/96/83/15/705968315.db2.gz ARDHLOULPYKKHD-ZALBZXLWSA-N 2 0 336.505 1.879 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000998720616 706147447 /nfs/dbraw/zinc/14/74/47/706147447.db2.gz JPWGTIILJQSOOJ-AEFFLSMTSA-N 2 0 331.460 1.870 20 0 EDADRP Cc1nsc(C)c1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998723971 706155685 /nfs/dbraw/zinc/15/56/85/706155685.db2.gz SXUNJMSRCNTVIQ-GDBMZVCRSA-N 2 0 336.505 1.935 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cn(C)nc2C)C1 ZINC000998865997 706295720 /nfs/dbraw/zinc/29/57/20/706295720.db2.gz JCBRQZDDWAAXDE-DAWZGUTISA-N 2 0 347.507 1.682 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nccn2CC)C1 ZINC000998867256 706296930 /nfs/dbraw/zinc/29/69/30/706296930.db2.gz OVWLLVSNHXIXMS-OFLPRAFFSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N(C)C2CC([NH2+]Cc3nccn3C)C2)C1 ZINC000998897435 706325415 /nfs/dbraw/zinc/32/54/15/706325415.db2.gz DWJYPSFOGHENLK-KLAILNCOSA-N 2 0 347.507 1.477 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000998995738 706413401 /nfs/dbraw/zinc/41/34/01/706413401.db2.gz UJQQZEWSEHOYHS-OFLPRAFFSA-N 2 0 334.439 1.784 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cnns3)C[C@H]2CC1 ZINC000946517496 706528514 /nfs/dbraw/zinc/52/85/14/706528514.db2.gz GWPOYTBNFJZMKP-LZWOXQAQSA-N 2 0 349.504 1.303 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000999145543 706558936 /nfs/dbraw/zinc/55/89/36/706558936.db2.gz SJDCBIAESQEIPQ-IRXDYDNUSA-N 2 0 333.480 1.374 20 0 EDADRP CC[C@H](F)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518219 706579770 /nfs/dbraw/zinc/57/97/70/706579770.db2.gz PZSFSPRNKPJXTM-YVSFHVDLSA-N 2 0 325.472 1.999 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999348263 706860366 /nfs/dbraw/zinc/86/03/66/706860366.db2.gz MYBVYNMAFBSCPQ-QGZVFWFLSA-N 2 0 347.507 1.565 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)cn1 ZINC000999350510 706863255 /nfs/dbraw/zinc/86/32/55/706863255.db2.gz XZWGZTKXTIOJPW-MRXNPFEDSA-N 2 0 333.480 1.028 20 0 EDADRP COc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999372942 706867625 /nfs/dbraw/zinc/86/76/25/706867625.db2.gz PNHDRIBSILFELZ-SJORKVTESA-N 2 0 346.475 1.511 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000999365689 706879371 /nfs/dbraw/zinc/87/93/71/706879371.db2.gz RIMQGTXNRUSHGX-HNNXBMFYSA-N 2 0 333.480 1.468 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]Cc2ccc(F)cn2)C1)C1CC1 ZINC000999369948 706883738 /nfs/dbraw/zinc/88/37/38/706883738.db2.gz KSSJMTUIGSXGCY-DLBZAZTESA-N 2 0 334.439 1.642 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999371842 706886137 /nfs/dbraw/zinc/88/61/37/706886137.db2.gz NBBGBGBCQSMQJA-ROUUACIJSA-N 2 0 347.507 1.885 20 0 EDADRP COc1ncccc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC000999402691 706910990 /nfs/dbraw/zinc/91/09/90/706910990.db2.gz JAWFLMBNAPHSSE-ODIFPOPNSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000999406155 706915734 /nfs/dbraw/zinc/91/57/34/706915734.db2.gz LCLCWKOXOVUAAY-KSTDHSDQSA-N 2 0 345.491 1.393 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)ccn1 ZINC000999431094 706933928 /nfs/dbraw/zinc/93/39/28/706933928.db2.gz AYCNGUBFEVJMPU-WMZOPIPTSA-N 2 0 348.491 1.757 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1)C(N)=O ZINC000999558144 707055763 /nfs/dbraw/zinc/05/57/63/707055763.db2.gz SXGCKEJCDQTZTA-KBPBESRZSA-N 2 0 338.496 1.094 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)ncn1 ZINC000999602366 707104350 /nfs/dbraw/zinc/10/43/50/707104350.db2.gz SRXIUCVZNSPZDE-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1ccncc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999681441 707166178 /nfs/dbraw/zinc/16/61/78/707166178.db2.gz GLTUIIYIOFXEJI-FAEJEUNOSA-N 2 0 330.476 1.811 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N(C)C1CC([NH2+]CC2CCOCC2)C1 ZINC000999699391 707227638 /nfs/dbraw/zinc/22/76/38/707227638.db2.gz SEBHRZBZVXYQPW-UHFFFAOYSA-N 2 0 346.475 1.767 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999688291 707241669 /nfs/dbraw/zinc/24/16/69/707241669.db2.gz KCIKFVLYPBLUHH-LRVUVFPRSA-N 2 0 329.435 1.953 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000999710216 707304664 /nfs/dbraw/zinc/30/46/64/707304664.db2.gz UCFWWZDNUYHJSR-UHFFFAOYSA-N 2 0 346.475 1.720 20 0 EDADRP CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC([NH2+]Cc2ncc(Cl)n2C)C1 ZINC000999837638 707408649 /nfs/dbraw/zinc/40/86/49/707408649.db2.gz QJQGMLSWDHOMJU-PNESKVBLSA-N 2 0 339.871 1.104 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999831256 707461244 /nfs/dbraw/zinc/46/12/44/707461244.db2.gz JULLZELZXJDKKX-ZLPCBKJTSA-N 2 0 347.507 1.803 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+]C1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC000999834848 707467886 /nfs/dbraw/zinc/46/78/86/707467886.db2.gz YDMDYSGNHSGSFL-UHFFFAOYSA-N 2 0 347.507 1.947 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)OC ZINC001033317579 707504480 /nfs/dbraw/zinc/50/44/80/707504480.db2.gz BMTPLYZBQFCNJW-HZPDHXFCSA-N 2 0 325.497 1.819 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC001033320989 707517923 /nfs/dbraw/zinc/51/79/23/707517923.db2.gz YXZCWGHMWQOVTF-DLBZAZTESA-N 2 0 337.508 1.820 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCc2cn([C@@H]3CC[NH+](C(C)C)C3)nn2)CC[N@@H+]1C ZINC000999985454 707655856 /nfs/dbraw/zinc/65/58/56/707655856.db2.gz CFCDFHSTNCZTSA-IXDOHACOSA-N 2 0 348.495 1.280 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[C@@H]([NH2+]CCC2CCOCC2)C1)[NH+](C)C ZINC001000113055 707703857 /nfs/dbraw/zinc/70/38/57/707703857.db2.gz PBJKDQDSMUCSSF-QZTJIDSGSA-N 2 0 339.524 1.970 20 0 EDADRP COC[C@@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033422819 707837245 /nfs/dbraw/zinc/83/72/45/707837245.db2.gz LHTMSBRQQGUECY-VQIMIIECSA-N 2 0 347.503 1.972 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423996 707840199 /nfs/dbraw/zinc/84/01/99/707840199.db2.gz WHAIMIJWQXRALX-CRAIPNDOSA-N 2 0 333.476 1.318 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC001033424403 707841232 /nfs/dbraw/zinc/84/12/32/707841232.db2.gz QZHDMDXGNAYZEB-AEFFLSMTSA-N 2 0 337.508 1.820 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC[C@@H]([NH2+]Cc3cncs3)C2)CC1 ZINC001000546231 708049497 /nfs/dbraw/zinc/04/94/97/708049497.db2.gz NPADGCGTINYORB-OAHLLOKOSA-N 2 0 336.505 1.956 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cc4n(n3)CCCC4)C2)C1 ZINC001000927391 708077501 /nfs/dbraw/zinc/07/75/01/708077501.db2.gz LQMJXQDQGVOSOM-CVEARBPZSA-N 2 0 345.491 1.252 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC001005185111 708112484 /nfs/dbraw/zinc/11/24/84/708112484.db2.gz PWUIBYIYZHNYQZ-QZTJIDSGSA-N 2 0 337.508 1.963 20 0 EDADRP CCOC1CC(C[NH+]2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001005182038 708127510 /nfs/dbraw/zinc/12/75/10/708127510.db2.gz CDCADVAPVGAJDF-VMWRSERWSA-N 2 0 337.508 1.819 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCn3cccn3)C2)CC1 ZINC001033524266 708138076 /nfs/dbraw/zinc/13/80/76/708138076.db2.gz GHPMGPHZCZCCPR-QGZVFWFLSA-N 2 0 333.480 1.148 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CNc2ccnc(C)n2)C1 ZINC001061014316 708175368 /nfs/dbraw/zinc/17/53/68/708175368.db2.gz LDWHTXXXTZJDCS-HOTGVXAUSA-N 2 0 331.464 1.920 20 0 EDADRP CN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001033592526 708291096 /nfs/dbraw/zinc/29/10/96/708291096.db2.gz AXVHOESVXWQBAP-QZTJIDSGSA-N 2 0 345.487 1.940 20 0 EDADRP Cc1ncc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC001001835722 708340088 /nfs/dbraw/zinc/34/00/88/708340088.db2.gz ZJOQBSJHXARXFH-KSSFIOAISA-N 2 0 345.491 1.311 20 0 EDADRP CN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@H]1CC[N@H+](CC2CCOCC2)C1 ZINC001033627176 708367757 /nfs/dbraw/zinc/36/77/57/708367757.db2.gz IWQQOAYBRYFAEG-HKUYNNGSSA-N 2 0 335.492 1.432 20 0 EDADRP COc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+]3CCCC3)C2)cc1 ZINC001033658125 708428518 /nfs/dbraw/zinc/42/85/18/708428518.db2.gz PMIAZXNXLRLHMO-QGZVFWFLSA-N 2 0 331.460 1.824 20 0 EDADRP C[C@@H](C(N)=O)[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001943772 708442143 /nfs/dbraw/zinc/44/21/43/708442143.db2.gz ZJQZBSLTVRMAHV-AWEZNQCLSA-N 2 0 346.475 1.064 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@H](O)Cc2ccccc2)C1 ZINC001033659148 708470219 /nfs/dbraw/zinc/47/02/19/708470219.db2.gz VMHQZNBGKPYSON-RBUKOAKNSA-N 2 0 345.487 1.219 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033659224 708471226 /nfs/dbraw/zinc/47/12/26/708471226.db2.gz WILKZONSQBNDHK-SFHVURJKSA-N 2 0 331.460 1.307 20 0 EDADRP Cc1cc(CN2CCC(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)nn1C ZINC001002122117 708636463 /nfs/dbraw/zinc/63/64/63/708636463.db2.gz ZHXVVFGPPWBAKN-MRXNPFEDSA-N 2 0 333.480 1.008 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001002154571 708669270 /nfs/dbraw/zinc/66/92/70/708669270.db2.gz ARMSYESNSOCAFI-QZTJIDSGSA-N 2 0 337.508 1.726 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC001033831467 708853987 /nfs/dbraw/zinc/85/39/87/708853987.db2.gz WLBOOAXKYXDSBW-RBUKOAKNSA-N 2 0 342.487 1.846 20 0 EDADRP CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[C@@H]1CCN(Cc2ncc(C)o2)C1 ZINC001033837751 708867241 /nfs/dbraw/zinc/86/72/41/708867241.db2.gz JIPCNLPMPXWHLK-BZUAXINKSA-N 2 0 334.464 1.746 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2cccnc2C)C1 ZINC001034042008 709291911 /nfs/dbraw/zinc/29/19/11/709291911.db2.gz KBYIKVWVXTZGBT-QZTJIDSGSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ccncc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034136233 709407464 /nfs/dbraw/zinc/40/74/64/709407464.db2.gz JQGKCGWRBYXRKP-ROUUACIJSA-N 2 0 330.476 1.955 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](CCC[C@@H]3CCOC3)C2)CC[N@@H+]1C ZINC001032830287 709466948 /nfs/dbraw/zinc/46/69/48/709466948.db2.gz PSIKCMZBYFKKCQ-MHORFTMASA-N 2 0 337.508 1.724 20 0 EDADRP O=C(CCN1CCOCC1)N1CC[C@H]2C[N@@H+](CC3CCC3)C[C@H]2CC1 ZINC000946824610 709547831 /nfs/dbraw/zinc/54/78/31/709547831.db2.gz WKAUKBGSIOKHPQ-KDURUIRLSA-N 2 0 349.519 1.679 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCn2cncn2)C1 ZINC001034238864 709620626 /nfs/dbraw/zinc/62/06/26/709620626.db2.gz GHWDSXLAUGSBAL-DLBZAZTESA-N 2 0 348.495 1.123 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCCCN(Cc3cncn3C)C2)CC[N@@H+]1C ZINC001034365334 709887142 /nfs/dbraw/zinc/88/71/42/709887142.db2.gz ZRVWITFZKQPGPO-YESZJQIVSA-N 2 0 347.507 1.621 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)cn1 ZINC001034386502 709915149 /nfs/dbraw/zinc/91/51/49/709915149.db2.gz SEXQNUSKYJKFGB-QGZVFWFLSA-N 2 0 333.480 1.233 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001034436833 710011317 /nfs/dbraw/zinc/01/13/17/710011317.db2.gz UIYFDKGROKQPKO-QGZVFWFLSA-N 2 0 335.496 1.829 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001003159597 710068426 /nfs/dbraw/zinc/06/84/26/710068426.db2.gz MKXZBYJQGLJRLK-GOSISDBHSA-N 2 0 347.507 1.510 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)CC[N@@H+]1C ZINC001032836467 710146187 /nfs/dbraw/zinc/14/61/87/710146187.db2.gz WHCGDAYDHDCCIF-FCGDIQPGSA-N 2 0 345.487 1.641 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034538901 710212066 /nfs/dbraw/zinc/21/20/66/710212066.db2.gz VUEQNTVIMAPROF-GOSISDBHSA-N 2 0 333.476 1.979 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001034607430 710271056 /nfs/dbraw/zinc/27/10/56/710271056.db2.gz PCOVIWNGJKOXEK-ZOBUZTSGSA-N 2 0 333.480 1.074 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC001034647882 710323791 /nfs/dbraw/zinc/32/37/91/710323791.db2.gz AFDTZJNAMMOKBR-JFIYKMOQSA-N 2 0 346.475 1.842 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2ccon2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC001034649478 710326010 /nfs/dbraw/zinc/32/60/10/710326010.db2.gz XXSKJCRNRKHHOJ-BFYDXBDKSA-N 2 0 332.448 1.533 20 0 EDADRP CC[C@H](F)C[NH+]1CCC(NC(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC001003778050 710557521 /nfs/dbraw/zinc/55/75/21/710557521.db2.gz YENMULBTNZFUJU-HNNXBMFYSA-N 2 0 339.459 1.387 20 0 EDADRP Cc1nonc1CN1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001005590494 710622200 /nfs/dbraw/zinc/62/22/00/710622200.db2.gz AEFLYFQANFWSOF-INIZCTEOSA-N 2 0 335.452 1.285 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cn1 ZINC001034674319 710622868 /nfs/dbraw/zinc/62/28/68/710622868.db2.gz MSFQVIWGPDVMBL-ULQDDVLXSA-N 2 0 333.480 1.421 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001005591180 710647158 /nfs/dbraw/zinc/64/71/58/710647158.db2.gz FWLSWTDWMFSOOQ-MRXNPFEDSA-N 2 0 334.464 1.890 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001003840782 710650920 /nfs/dbraw/zinc/65/09/20/710650920.db2.gz CLVWUKCWLPOIEC-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001005594474 710655544 /nfs/dbraw/zinc/65/55/44/710655544.db2.gz ZLBBVTRQDUDJRS-SJLPKXTDSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3nccn3C)CC2)CC[N@@H+]1C ZINC001034716660 710859225 /nfs/dbraw/zinc/85/92/25/710859225.db2.gz PDIAJLWTFNOWBQ-QAETUUGQSA-N 2 0 347.507 1.667 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)CC2)ncn1 ZINC001034722010 710888700 /nfs/dbraw/zinc/88/87/00/710888700.db2.gz USBORIPXNQVXNI-QAQDUYKDSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)cn1 ZINC001034734800 710917784 /nfs/dbraw/zinc/91/77/84/710917784.db2.gz ZHLNIJKVSKVQGV-DJIMGWMZSA-N 2 0 345.491 1.644 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC001034735701 710922101 /nfs/dbraw/zinc/92/21/01/710922101.db2.gz MFBOTVQFHDKBEL-FVQBIDKESA-N 2 0 334.464 1.984 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC(C)(C)C3)CC2)nn1 ZINC001034736195 710922810 /nfs/dbraw/zinc/92/28/10/710922810.db2.gz SJEDKGPIHLJZDG-SHTZXODSSA-N 2 0 348.495 1.064 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncccn2)CC1 ZINC001034736589 710923899 /nfs/dbraw/zinc/92/38/99/710923899.db2.gz XPVJDGPQDIUWHZ-BZUAXINKSA-N 2 0 331.464 1.478 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCc2ccnn2C)CC1 ZINC001034739255 710933571 /nfs/dbraw/zinc/93/35/71/710933571.db2.gz ZQWBTABEZWRJIW-YFHUEUNASA-N 2 0 347.507 1.177 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034737028 710948391 /nfs/dbraw/zinc/94/83/91/710948391.db2.gz GUVAMHSCRSMOFG-YFHUEUNASA-N 2 0 347.507 1.618 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1 ZINC001034737558 710950270 /nfs/dbraw/zinc/95/02/70/710950270.db2.gz MLIZVWQDHSIZRF-YXWQFLTLSA-N 2 0 336.505 1.858 20 0 EDADRP CCn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC001034738612 710954280 /nfs/dbraw/zinc/95/42/80/710954280.db2.gz UOTYPRKQNHBPGZ-KCYZZUKISA-N 2 0 348.495 1.013 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001034778644 711081969 /nfs/dbraw/zinc/08/19/69/711081969.db2.gz KWPLYVKAVRIBHR-BRWVUGGUSA-N 2 0 347.507 1.762 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001034793887 711125303 /nfs/dbraw/zinc/12/53/03/711125303.db2.gz TWPNIMULHPVREI-BRWVUGGUSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@@H](c1cnccn1)N1CCC(NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001003977848 711150806 /nfs/dbraw/zinc/15/08/06/711150806.db2.gz YTAVICUJZOGXDI-GJZGRUSLSA-N 2 0 331.464 1.460 20 0 EDADRP O=C(N1CCC[C@@H]1C[NH2+]C[C@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001034969797 711449318 /nfs/dbraw/zinc/44/93/18/711449318.db2.gz MDRRWRPVUSCPHH-IAGOWNOFSA-N 2 0 335.492 1.480 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3cccc(C(N)=O)c3)C2)[C@@H]1C(C)C ZINC000922391990 711456996 /nfs/dbraw/zinc/45/69/96/711456996.db2.gz IXWKPMBGFNZDKC-FTEYMNFISA-N 2 0 345.487 1.745 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3c4c(nn3C)CCC4)C2)[C@H]1C(C)C ZINC000922394579 711461031 /nfs/dbraw/zinc/46/10/31/711461031.db2.gz OQQOLMZIBAFOTL-VBSBHUPXSA-N 2 0 346.519 1.868 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922516638 711635761 /nfs/dbraw/zinc/63/57/61/711635761.db2.gz SQRWWJYSFUMIJN-OWCLPIDISA-N 2 0 342.553 1.986 20 0 EDADRP CC(C)(C(=O)N1CCC([C@H]2CCC[N@@H+]2CCO)CC1)[NH+]1CCCC1 ZINC001004505211 711893397 /nfs/dbraw/zinc/89/33/97/711893397.db2.gz GERTYFZAIHEILJ-QGZVFWFLSA-N 2 0 337.508 1.556 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCC([C@@H]2CCC[N@H+]2CCO)CC1 ZINC001004501668 711902068 /nfs/dbraw/zinc/90/20/68/711902068.db2.gz ZIFLKHHANGMKQX-OALUTQOASA-N 2 0 349.519 1.556 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([C@@H]3CCC[N@@H+]3CCO)CC2)CC1 ZINC001004567682 711987616 /nfs/dbraw/zinc/98/76/16/711987616.db2.gz KYTWULDWFINUPA-SFHVURJKSA-N 2 0 337.508 1.414 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccon2)C1 ZINC001033146156 712010399 /nfs/dbraw/zinc/01/03/99/712010399.db2.gz OBAJWACMRBWYEP-IRXDYDNUSA-N 2 0 334.464 1.970 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1)[NH+](C)C ZINC000946633094 712054179 /nfs/dbraw/zinc/05/41/79/712054179.db2.gz HXDMHHDZUNVSGQ-NXOAAHMSSA-N 2 0 325.497 1.124 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([C@H]2CCC[N@@H+]2C[C@H]2CCOC2)CC1 ZINC001004617509 712077522 /nfs/dbraw/zinc/07/75/22/712077522.db2.gz QVGJEVCHTXEVAQ-IEBWSBKVSA-N 2 0 349.519 1.822 20 0 EDADRP COCc1cnc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000558456705 306238257 /nfs/dbraw/zinc/23/82/57/306238257.db2.gz RVSBSCRDWZUIHH-UHFFFAOYSA-N 2 0 329.470 1.247 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1csc(C(F)(F)F)n1 ZINC000558556727 306239748 /nfs/dbraw/zinc/23/97/48/306239748.db2.gz QPGVVIIITDQSDG-UHFFFAOYSA-N 2 0 338.399 1.727 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCCC[C@@H]1CC(N)=O)c1ccccc1 ZINC000158273731 282171264 /nfs/dbraw/zinc/17/12/64/282171264.db2.gz LSEJJMAAUPRLII-SJORKVTESA-N 2 0 346.475 1.135 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cc2cccc(F)c2o1 ZINC000558713913 306245421 /nfs/dbraw/zinc/24/54/21/306245421.db2.gz YDYNOMQHNUWWTA-UKRRQHHQSA-N 2 0 335.423 1.831 20 0 EDADRP COC[C@H]1C[N@H+]([C@@H](C)CCN2C[C@@H](C)O[C@H](COC)C2)C[C@H](C)O1 ZINC000439298226 539589317 /nfs/dbraw/zinc/58/93/17/539589317.db2.gz VEUTZTJYOBBWTI-FLXSYLCISA-N 2 0 344.496 1.236 20 0 EDADRP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@]1(N2CCOCC2)CCSC1 ZINC000339068458 539699876 /nfs/dbraw/zinc/69/98/76/539699876.db2.gz QJFNFWLLWYLVQT-ZACQAIPSSA-N 2 0 325.522 1.411 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000343007418 539774708 /nfs/dbraw/zinc/77/47/08/539774708.db2.gz GJBFCDISWAUNOI-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP Cn1ccc(N2CCC[C@H]([NH+]3CCC([C@H]4CC[NH2+]C4)CC3)C2=O)n1 ZINC000357108069 282713067 /nfs/dbraw/zinc/71/30/67/282713067.db2.gz SPEYJGUZDSSHQD-HOTGVXAUSA-N 2 0 331.464 1.237 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COc1ccc2c(c1)OCO2)C1CC[NH+](C)CC1 ZINC000153316212 539862490 /nfs/dbraw/zinc/86/24/90/539862490.db2.gz RQBORXWBORWSJM-DZGCQCFKSA-N 2 0 336.432 1.475 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000351615005 539917028 /nfs/dbraw/zinc/91/70/28/539917028.db2.gz KCZCQFMBAISJGM-CVEARBPZSA-N 2 0 327.517 1.042 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000156109215 539937510 /nfs/dbraw/zinc/93/75/10/539937510.db2.gz DLNAPHBAKIZTPS-INIZCTEOSA-N 2 0 348.495 1.784 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN1C(=O)c2ccccc2C1=O)C(C)(C)C[NH+](C)C ZINC000562995438 306315098 /nfs/dbraw/zinc/31/50/98/306315098.db2.gz KHQNYVKLIWUGDW-KGLIPLIRSA-N 2 0 347.459 1.209 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CCC[NH+](C)[C@@H]1c1ccnn1C ZINC000347881329 283051579 /nfs/dbraw/zinc/05/15/79/283051579.db2.gz YAVJIZZBXUTCJT-QAPCUYQASA-N 2 0 335.496 1.603 20 0 EDADRP C[C@H](NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2)C(C)(C)C[NH+](C)C ZINC000563452424 306334246 /nfs/dbraw/zinc/33/42/46/306334246.db2.gz NGOUTTBVPAHPHJ-ZDUSSCGKSA-N 2 0 346.475 1.363 20 0 EDADRP C[NH+]1CCC(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000089209619 138273518 /nfs/dbraw/zinc/27/35/18/138273518.db2.gz JLXCESSMIVSAQO-UHFFFAOYSA-N 2 0 345.491 1.939 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000418940699 283210181 /nfs/dbraw/zinc/21/01/81/283210181.db2.gz TXSSWFVRFWQTHE-HOTGVXAUSA-N 2 0 340.512 1.343 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000106546292 138303166 /nfs/dbraw/zinc/30/31/66/138303166.db2.gz BDKVDJOSJQKSFK-INIZCTEOSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CN2CC[NH+](CC)CC2)CC1 ZINC000124566706 138328004 /nfs/dbraw/zinc/32/80/04/138328004.db2.gz RCXTVVVRWPTUCR-UHFFFAOYSA-N 2 0 330.520 1.962 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC000124262566 138325380 /nfs/dbraw/zinc/32/53/80/138325380.db2.gz ISBAAFPKLBYUMG-YJBOKZPZSA-N 2 0 335.492 1.478 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000497215771 283352789 /nfs/dbraw/zinc/35/27/89/283352789.db2.gz SRINJEVUTJTMKT-RHSMWYFYSA-N 2 0 329.485 1.584 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000564209344 306357029 /nfs/dbraw/zinc/35/70/29/306357029.db2.gz NRTQLBMDXICSEU-OGWOLHLISA-N 2 0 345.443 1.640 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000564344606 306359472 /nfs/dbraw/zinc/35/94/72/306359472.db2.gz SFLKPRBFHDTTOK-AWEZNQCLSA-N 2 0 335.477 1.539 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000564547654 306360353 /nfs/dbraw/zinc/36/03/53/306360353.db2.gz UJNWAXWAXPLNCJ-UHFFFAOYSA-N 2 0 346.475 1.663 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000173923562 237269490 /nfs/dbraw/zinc/26/94/90/237269490.db2.gz AQFFEHIMPOCDEW-OAHLLOKOSA-N 2 0 336.484 1.783 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000564947676 306371012 /nfs/dbraw/zinc/37/10/12/306371012.db2.gz WNAGDZXLNZDNJA-MDZRGWNJSA-N 2 0 346.475 1.210 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000129504749 223063601 /nfs/dbraw/zinc/06/36/01/223063601.db2.gz NGJOFQHDYTUCQI-INIZCTEOSA-N 2 0 330.476 1.638 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)CC1 ZINC000565301110 306381218 /nfs/dbraw/zinc/38/12/18/306381218.db2.gz LNPPMYZZIVWPJK-GOSISDBHSA-N 2 0 346.475 1.379 20 0 EDADRP CN(CCC(=O)N1CCN[C@@H](c2ccncc2)C1)c1cc[nH+]cc1 ZINC000565409436 306383242 /nfs/dbraw/zinc/38/32/42/306383242.db2.gz PDANFVCXVDZDAQ-QGZVFWFLSA-N 2 0 325.416 1.476 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1cccc(CO)c1 ZINC000414198431 304105784 /nfs/dbraw/zinc/10/57/84/304105784.db2.gz QLNRMZWPALMSAT-KRWDZBQOSA-N 2 0 347.503 1.626 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000565589450 306387415 /nfs/dbraw/zinc/38/74/15/306387415.db2.gz BNRLUZNTXWSKNJ-KRWDZBQOSA-N 2 0 346.475 1.056 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298533090 201354122 /nfs/dbraw/zinc/35/41/22/201354122.db2.gz SIDFNEFMKMCWII-OAHLLOKOSA-N 2 0 338.477 1.064 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(C(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000414702415 304129728 /nfs/dbraw/zinc/12/97/28/304129728.db2.gz WXUZLFIWKKPHQI-HRCADAONSA-N 2 0 339.480 1.108 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](CCc2ccccc2)[C@H]2CCOC2)C1 ZINC000414701331 304130042 /nfs/dbraw/zinc/13/00/42/304130042.db2.gz GVTGLJGEYXILPC-OALUTQOASA-N 2 0 345.487 1.517 20 0 EDADRP C[C@]1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC[NH2+]C1 ZINC000333890386 291382784 /nfs/dbraw/zinc/38/27/84/291382784.db2.gz YBGDHCGUNPQTBV-SFHVURJKSA-N 2 0 338.496 1.130 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000414712100 304131246 /nfs/dbraw/zinc/13/12/46/304131246.db2.gz UPSDLSOEMWCCSK-GJZGRUSLSA-N 2 0 346.475 1.568 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C[NH+]1CCCCC1 ZINC000414747959 304136626 /nfs/dbraw/zinc/13/66/26/304136626.db2.gz VRMNOARUBLAZIO-AWEZNQCLSA-N 2 0 344.459 1.467 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H](C)[NH2+]C)c(C)c2)CC1 ZINC000414747124 304136660 /nfs/dbraw/zinc/13/66/60/304136660.db2.gz GTHJCFUNAMVZLJ-HNNXBMFYSA-N 2 0 333.480 1.866 20 0 EDADRP COc1cc(C[NH2+]CCCN2CC[NH2+]CC2)ccc1OC(F)F ZINC000414782858 304140040 /nfs/dbraw/zinc/14/00/40/304140040.db2.gz POJGCNPQEGREJP-UHFFFAOYSA-N 2 0 329.391 1.682 20 0 EDADRP COc1sc(C[NH2+]CCCN2CC[NH2+]CC2)cc1Br ZINC000414786196 304140452 /nfs/dbraw/zinc/14/04/52/304140452.db2.gz XBGCPURMGLNIPA-UHFFFAOYSA-N 2 0 348.310 1.904 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1OC ZINC000414791287 304141331 /nfs/dbraw/zinc/14/13/31/304141331.db2.gz BDVUIXDYAYRDJN-HUUCEWRRSA-N 2 0 335.448 1.427 20 0 EDADRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C1CCS(=O)(=O)CC1 ZINC000354333744 296122034 /nfs/dbraw/zinc/12/20/34/296122034.db2.gz JQQIAYHIGBBBLV-GDBMZVCRSA-N 2 0 332.510 1.026 20 0 EDADRP C[NH2+]C[C@@H](C)C[NH2+]C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000414847518 304147596 /nfs/dbraw/zinc/14/75/96/304147596.db2.gz VXLVZIVEIYSDQZ-OAHLLOKOSA-N 2 0 339.505 1.593 20 0 EDADRP CCc1cccc2c(CC[NH2+]C[C@@H](O)CN3CC[NH+](C)CC3)c[nH]c21 ZINC000567161181 306439890 /nfs/dbraw/zinc/43/98/90/306439890.db2.gz OWKQWXGEKLCAOH-GOSISDBHSA-N 2 0 344.503 1.471 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCC[NH2+]C3)c2)C1 ZINC000415092642 304159168 /nfs/dbraw/zinc/15/91/68/304159168.db2.gz UBHQZPKDRRRCPA-OALUTQOASA-N 3 0 344.503 1.473 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102812026 204052345 /nfs/dbraw/zinc/05/23/45/204052345.db2.gz AZFDXDBARTUKAP-OAHLLOKOSA-N 2 0 348.491 1.576 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000194830067 139000981 /nfs/dbraw/zinc/00/09/81/139000981.db2.gz UTRRQUBVLQXCHA-AWEZNQCLSA-N 2 0 332.473 1.547 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COc3ccccc3)C2)CC1 ZINC000107370275 204236549 /nfs/dbraw/zinc/23/65/49/204236549.db2.gz YEJSTHIMOFRLHV-MSOLQXFVSA-N 2 0 333.476 1.138 20 0 EDADRP Cc1c(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000236609923 139026901 /nfs/dbraw/zinc/02/69/01/139026901.db2.gz BZFRRBFOUOWKGB-OAHLLOKOSA-N 2 0 348.495 1.361 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@@H]2CCC[NH2+]2)CC1 ZINC000236955114 139036374 /nfs/dbraw/zinc/03/63/74/139036374.db2.gz SRJAHRIDGPOMCN-SFHVURJKSA-N 2 0 330.476 1.192 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COCc2ccccc2)CC1 ZINC000567378030 306449745 /nfs/dbraw/zinc/44/97/45/306449745.db2.gz NDZJSFKZJNZAOH-IBGZPJMESA-N 2 0 335.492 1.180 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@]2(C)CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000237284889 139046583 /nfs/dbraw/zinc/04/65/83/139046583.db2.gz GNPCIXFMSDADHY-IEBWSBKVSA-N 2 0 331.460 1.948 20 0 EDADRP C[NH2+]C[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237339806 139048549 /nfs/dbraw/zinc/04/85/49/139048549.db2.gz RKKNPQILNZPZJB-KBPBESRZSA-N 2 0 336.455 1.610 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000127540189 205107101 /nfs/dbraw/zinc/10/71/01/205107101.db2.gz SLCYUKVKHOAAKP-JKSUJKDBSA-N 2 0 346.475 1.930 20 0 EDADRP C[C@@H](CC(=O)NCC1CC[NH+](CCN(C)C)CC1)[C@@H]1CCC[NH2+]C1 ZINC000237411615 139050415 /nfs/dbraw/zinc/05/04/15/139050415.db2.gz DDQIJRAPGLDXPR-FUHWJXTLSA-N 2 0 338.540 1.402 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)[C@@H](C[NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000237494014 139052529 /nfs/dbraw/zinc/05/25/29/139052529.db2.gz MRRWABAEOBFPGK-INMHGKMJSA-N 2 0 333.476 1.733 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CN(Cc3ccccc3)CCO2)CCCCC1 ZINC000237763632 139059820 /nfs/dbraw/zinc/05/98/20/139059820.db2.gz ABTOZWWAGMTSOC-QGZVFWFLSA-N 2 0 331.460 1.665 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415233203 304177267 /nfs/dbraw/zinc/17/72/67/304177267.db2.gz VHQMYMKEDBZTIQ-AWEZNQCLSA-N 2 0 334.464 1.581 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415231624 304177156 /nfs/dbraw/zinc/17/71/56/304177156.db2.gz PKUGXMZKAFXNLL-GUYCJALGSA-N 2 0 342.443 1.314 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000415251794 304179290 /nfs/dbraw/zinc/17/92/90/304179290.db2.gz AFIWAQNRYOHFOK-QGZVFWFLSA-N 2 0 344.459 1.212 20 0 EDADRP Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)[C@@H](C)[NH3+] ZINC000157758931 206153812 /nfs/dbraw/zinc/15/38/12/206153812.db2.gz HMBFQXZFVQUASR-GDBMZVCRSA-N 2 0 327.432 1.924 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH2+]CC2)[C@@H](C)C1 ZINC000246212375 139099421 /nfs/dbraw/zinc/09/94/21/139099421.db2.gz FXKDGROTOQZSFK-RDJZCZTQSA-N 2 0 325.497 1.629 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@@H]3C[C@H]4CCCC[C@@H]4[NH2+]3)CC2)CCO1 ZINC000246228285 139100191 /nfs/dbraw/zinc/10/01/91/139100191.db2.gz HMGOMXOOPWXLHQ-LMSBXDPUSA-N 2 0 335.492 1.619 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246746368 139119921 /nfs/dbraw/zinc/11/99/21/139119921.db2.gz LDJUCYICVWACSH-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(C(=O)NCCCC[NH+]3CCOCC3)CC[C@H]21 ZINC000246956162 139128268 /nfs/dbraw/zinc/12/82/68/139128268.db2.gz OBEZRAQOOFBICS-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCS[C@H]3COCC[C@H]32)CC1 ZINC000246972133 139129157 /nfs/dbraw/zinc/12/91/57/139129157.db2.gz OPGYFYDBIFUHRO-CVEARBPZSA-N 2 0 341.521 1.182 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353453443 284642814 /nfs/dbraw/zinc/64/28/14/284642814.db2.gz RJBGFXYODGLEQK-BRWVUGGUSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1C[C@H]1CCCN(S(C)(=O)=O)C1)CC[NH2+]CC2 ZINC000333634049 296294423 /nfs/dbraw/zinc/29/44/23/296294423.db2.gz WGBJIIPKUDSRRZ-HUUCEWRRSA-N 2 0 329.510 1.122 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1C[NH+](C)C ZINC000415454966 304222437 /nfs/dbraw/zinc/22/24/37/304222437.db2.gz VPVUOPNTXNOEQL-GDBMZVCRSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]CCC(=O)Nc2cccc(F)c2)CC1 ZINC000569111523 306496904 /nfs/dbraw/zinc/49/69/04/306496904.db2.gz RVVREWAHGPCSGO-UHFFFAOYSA-N 2 0 336.455 1.770 20 0 EDADRP [NH3+][C@H](C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CCOCC1 ZINC000261722412 139220457 /nfs/dbraw/zinc/22/04/57/139220457.db2.gz JISHCYIJZPLGOT-SFHVURJKSA-N 2 0 349.450 1.660 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C2([NH3+])CCOCC2)cc1 ZINC000261933179 139238263 /nfs/dbraw/zinc/23/82/63/139238263.db2.gz WMQVHGMYOACGFF-UHFFFAOYSA-N 2 0 349.475 1.531 20 0 EDADRP [NH3+]Cc1cc(NC(=O)[C@H]([NH3+])C2CCOCC2)cc(C(F)(F)F)c1 ZINC000261957612 139239903 /nfs/dbraw/zinc/23/99/03/139239903.db2.gz KRUZLOMXEAGYNE-CYBMUJFWSA-N 2 0 331.338 1.857 20 0 EDADRP Cc1nc2ccc(C[N@@H+]3CCC[C@@H](C(=O)NCC[NH3+])C3)cc2s1 ZINC000262038203 139245666 /nfs/dbraw/zinc/24/56/66/139245666.db2.gz XYHCSBGBNIDLEC-CQSZACIVSA-N 2 0 332.473 1.892 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414909456 250885386 /nfs/dbraw/zinc/88/53/86/250885386.db2.gz RFSMBGHGLULJOB-HNNXBMFYSA-N 2 0 332.448 1.287 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000415567120 304226969 /nfs/dbraw/zinc/22/69/69/304226969.db2.gz XGENAVRSMAOWCC-UHFFFAOYSA-N 2 0 332.448 1.465 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000415547171 251002120 /nfs/dbraw/zinc/00/21/20/251002120.db2.gz YWSXABULVFEPTI-ZBFHGGJFSA-N 2 0 346.475 1.663 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000415952794 251038367 /nfs/dbraw/zinc/03/83/67/251038367.db2.gz FCPGDTBJXGIWCY-GOEBONIOSA-N 2 0 349.479 1.376 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015043 251047699 /nfs/dbraw/zinc/04/76/99/251047699.db2.gz VWDJGKGSVDGGKP-MWLCHTKSSA-N 2 0 328.404 1.003 20 0 EDADRP Cc1ccc([C@@H]2CSCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1 ZINC000262224025 139261400 /nfs/dbraw/zinc/26/14/00/139261400.db2.gz UTWVAELSBMQAAS-KRWDZBQOSA-N 2 0 333.501 1.907 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)c1cccc(F)c1 ZINC000416832731 251112912 /nfs/dbraw/zinc/11/29/12/251112912.db2.gz ITEZJNDYOSZJPG-BFYDXBDKSA-N 2 0 334.439 1.679 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N[C@H]1CCCC[NH2+]C1 ZINC000417017008 251133869 /nfs/dbraw/zinc/13/38/69/251133869.db2.gz GNABJWRNLNTMMB-SFHVURJKSA-N 2 0 330.476 1.876 20 0 EDADRP CC[C@@H](CNC(=O)N1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000417020701 251136742 /nfs/dbraw/zinc/13/67/42/251136742.db2.gz SLHDTYRMFIDQFL-ROUUACIJSA-N 2 0 330.476 1.956 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+]2CCCC2)o1 ZINC000417424950 251168299 /nfs/dbraw/zinc/16/82/99/251168299.db2.gz WKJWACBUHGZOCG-XHSDSOJGSA-N 2 0 332.448 1.586 20 0 EDADRP Cn1cc([C@H]2C[NH2+]C[C@@H]2C(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cn1 ZINC000262369938 139273772 /nfs/dbraw/zinc/27/37/72/139273772.db2.gz WALDBNSAEURZKR-FGTMMUONSA-N 2 0 347.507 1.350 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417590146 251199556 /nfs/dbraw/zinc/19/95/56/251199556.db2.gz HFUMYUXHDFEJBC-HNNXBMFYSA-N 2 0 334.464 1.698 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)NC[C@H]1CCC[NH2+]1 ZINC000417595880 251202017 /nfs/dbraw/zinc/20/20/17/251202017.db2.gz OTNDAXTUZOCMSU-QGZVFWFLSA-N 2 0 346.475 1.712 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@]23C[NH2+]C[C@@H]2CCCC3)CC1 ZINC000262393886 139275760 /nfs/dbraw/zinc/27/57/60/139275760.db2.gz OOXOHZFKCKJUMX-VDZJLULYSA-N 2 0 337.508 1.317 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000262453669 139280059 /nfs/dbraw/zinc/28/00/59/139280059.db2.gz UYLOQALSVBLKAL-NRSFXHEJSA-N 2 0 331.460 1.221 20 0 EDADRP CN(C(=O)NCC1([NH+](C)C)Cc2ccccc2C1)C1CC[NH2+]CC1 ZINC000417744462 251252239 /nfs/dbraw/zinc/25/22/39/251252239.db2.gz YOBKDWPHZBKAJL-UHFFFAOYSA-N 2 0 330.476 1.479 20 0 EDADRP C[N@H+](CCNC(=O)NC[C@]1(C)CCC[NH2+]C1)Cc1ccc(F)cc1 ZINC000417833114 251290998 /nfs/dbraw/zinc/29/09/98/251290998.db2.gz UEFSHSKXXOUXIY-GOSISDBHSA-N 2 0 336.455 1.946 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N(CC[NH3+])Cc2ccccc2)CCSC1 ZINC000417837997 251292550 /nfs/dbraw/zinc/29/25/50/251292550.db2.gz VNJGNWMVLPNBOX-QGZVFWFLSA-N 2 0 336.505 1.594 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCO[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000417847031 251295251 /nfs/dbraw/zinc/29/52/51/251295251.db2.gz UNVVJCFOBJBJTC-BPQIPLTHSA-N 2 0 346.475 1.409 20 0 EDADRP CN(C)C(=O)c1ccccc1C[NH+]1CCC(OCC[NH+](C)C)CC1 ZINC000417791856 251270601 /nfs/dbraw/zinc/27/06/01/251270601.db2.gz JVDOTFVDIYBVSV-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000417817878 251282679 /nfs/dbraw/zinc/28/26/79/251282679.db2.gz FAKVPIHPSFXGLF-MRXNPFEDSA-N 2 0 342.447 1.021 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCCC2=CC[NH2+]CC2)CC1 ZINC000417818634 251282897 /nfs/dbraw/zinc/28/28/97/251282897.db2.gz WZYMVSOPNPZIKD-UHFFFAOYSA-N 2 0 338.496 1.485 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1)Cc1ccc(F)cc1 ZINC000417821254 251282924 /nfs/dbraw/zinc/28/29/24/251282924.db2.gz IJLSDPZHPOXACJ-SFHVURJKSA-N 2 0 334.439 1.653 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417845563 251296053 /nfs/dbraw/zinc/29/60/53/251296053.db2.gz SBDAQRJTYJBQEO-XHSDSOJGSA-N 2 0 325.497 1.756 20 0 EDADRP CCn1cncc1C[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000417873064 251309289 /nfs/dbraw/zinc/30/92/89/251309289.db2.gz NYUGKFFSUUQGMQ-UHFFFAOYSA-N 2 0 328.464 1.730 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)N(CC[NH3+])CCO ZINC000417887608 251314580 /nfs/dbraw/zinc/31/45/80/251314580.db2.gz IGAVCCGJACDISX-HOTGVXAUSA-N 2 0 348.491 1.106 20 0 EDADRP CN1CC[C@H](NC(=O)N2CCC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000417944643 251317663 /nfs/dbraw/zinc/31/76/63/251317663.db2.gz CNMUPODUDVERDE-JKSUJKDBSA-N 2 0 338.402 1.715 20 0 EDADRP C[C@H](NC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000418115405 251329012 /nfs/dbraw/zinc/32/90/12/251329012.db2.gz OFOQONDFKLNOIA-PMPSAXMXSA-N 2 0 326.485 1.175 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccccc1 ZINC000418429696 251368765 /nfs/dbraw/zinc/36/87/65/251368765.db2.gz SKXRTLFXBDDHJD-IRXDYDNUSA-N 2 0 348.491 1.439 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N3CCC[C@H]3C[NH3+])cc2)CC1 ZINC000418156079 251347853 /nfs/dbraw/zinc/34/78/53/251347853.db2.gz ACRXJQLVAOXARN-INIZCTEOSA-N 2 0 346.475 1.792 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000418193647 251352962 /nfs/dbraw/zinc/35/29/62/251352962.db2.gz CLXGYRBUTIBBTA-BHYGNILZSA-N 2 0 340.512 1.643 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)CCCC[NH3+])C[C@@H]1CC ZINC000418716425 251394812 /nfs/dbraw/zinc/39/48/12/251394812.db2.gz YYJALJAVXGHWOR-CVEARBPZSA-N 2 0 328.501 1.646 20 0 EDADRP C[N@H+](Cc1ccccc1)C1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000418531582 251377571 /nfs/dbraw/zinc/37/75/71/251377571.db2.gz BLXCCTYPYBBJQJ-LJQANCHMSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000418688290 251385752 /nfs/dbraw/zinc/38/57/52/251385752.db2.gz MYBWHLOHOYYUAI-KBAYOESNSA-N 2 0 348.491 1.296 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000262631384 139291608 /nfs/dbraw/zinc/29/16/08/139291608.db2.gz FGTHCPBZCKDQFV-SOLBZPMBSA-N 2 0 332.492 1.465 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCCC1 ZINC000262660764 139294090 /nfs/dbraw/zinc/29/40/90/139294090.db2.gz XTVJFYXUSMBNBV-UHFFFAOYSA-N 2 0 345.487 1.921 20 0 EDADRP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000262676983 139295608 /nfs/dbraw/zinc/29/56/08/139295608.db2.gz STFCVYUDRQLQQJ-HZPDHXFCSA-N 2 0 344.459 1.578 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415588477 304233832 /nfs/dbraw/zinc/23/38/32/304233832.db2.gz ZTJDKTOIQXTQIJ-AWEZNQCLSA-N 2 0 332.448 1.117 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262705020 139297544 /nfs/dbraw/zinc/29/75/44/139297544.db2.gz BKKVIGKGGYEYPU-QGZVFWFLSA-N 2 0 332.492 1.438 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000262736364 139299985 /nfs/dbraw/zinc/29/99/85/139299985.db2.gz FXTUQMNWIQBRSD-RYQLBKOJSA-N 2 0 331.460 1.616 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000262885629 139310529 /nfs/dbraw/zinc/31/05/29/139310529.db2.gz WKHBVRZQWDQFRP-SFHVURJKSA-N 2 0 346.519 1.828 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422897751 252015788 /nfs/dbraw/zinc/01/57/88/252015788.db2.gz COPHPJXGWARLMB-DLBZAZTESA-N 2 0 339.505 1.731 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000422899177 252016709 /nfs/dbraw/zinc/01/67/09/252016709.db2.gz GWVDKUFHYBKXJB-SQWLQELKSA-N 2 0 333.432 1.028 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)cc1 ZINC000423071251 252033923 /nfs/dbraw/zinc/03/39/23/252033923.db2.gz DYVPWNAQXLOUIS-PBHICJAKSA-N 2 0 340.489 1.584 20 0 EDADRP C[C@H]([NH2+]C[C@H](CO)Cc1cc(Br)ccc1F)C1C[NH2+]C1 ZINC000423150718 252038055 /nfs/dbraw/zinc/03/80/55/252038055.db2.gz BZRBATNATOVOIB-WDEREUQCSA-N 2 0 345.256 1.937 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423354021 252051366 /nfs/dbraw/zinc/05/13/66/252051366.db2.gz CMGFPBNNUOQXTJ-ZIAGYGMSSA-N 2 0 336.484 1.113 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1)C(C)C ZINC000423414183 252054269 /nfs/dbraw/zinc/05/42/69/252054269.db2.gz MDHFMOKPHGUOPB-HZPDHXFCSA-N 2 0 340.512 1.149 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[C@H]2CCC[NH2+]2)cc1 ZINC000423484428 252054491 /nfs/dbraw/zinc/05/44/91/252054491.db2.gz RBDDTTXMQLPOTD-ZFWWWQNUSA-N 2 0 325.478 1.778 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)C[C@@H]3CCC[NH2+]CC3)cn2)CC1 ZINC000423736422 252067360 /nfs/dbraw/zinc/06/73/60/252067360.db2.gz SHCIYALTZRNOGX-OAHLLOKOSA-N 2 0 331.464 1.552 20 0 EDADRP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccc(OCC(=O)NC2CC2)cc1 ZINC000422905575 252018442 /nfs/dbraw/zinc/01/84/42/252018442.db2.gz ZHVKNAPAVHAPFE-DZKIICNBSA-N 2 0 331.460 1.993 20 0 EDADRP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])C2)c1 ZINC000422908646 252018944 /nfs/dbraw/zinc/01/89/44/252018944.db2.gz YXBONBSXNQPBAR-OHDICMOHSA-N 2 0 333.476 1.863 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000424043808 252123413 /nfs/dbraw/zinc/12/34/13/252123413.db2.gz HCHVQLBKQCUFOD-ZWKOTPCHSA-N 2 0 347.459 1.220 20 0 EDADRP [NH3+][C@H]1CCc2nc(NC(=O)c3cn[nH]c3[C@H]3CCC[NH2+]C3)sc2C1 ZINC000424179374 252154375 /nfs/dbraw/zinc/15/43/75/252154375.db2.gz SVKXPJTYAJVSLG-UWVGGRQHSA-N 2 0 346.460 1.402 20 0 EDADRP Cn1cc(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424182444 252156486 /nfs/dbraw/zinc/15/64/86/252156486.db2.gz ZGUDWXMNODWFBH-KKUMJFAQSA-N 2 0 333.480 1.382 20 0 EDADRP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424220692 252167960 /nfs/dbraw/zinc/16/79/60/252167960.db2.gz FLHQKJCGKCXVOM-IAGOWNOFSA-N 2 0 345.491 1.948 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1)c1ccccc1 ZINC000424127060 252132122 /nfs/dbraw/zinc/13/21/22/252132122.db2.gz AAADTGWLMZFOJV-DOTOQJQBSA-N 2 0 342.447 1.235 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)c1 ZINC000424463566 252237764 /nfs/dbraw/zinc/23/77/64/252237764.db2.gz HPYOZTVEKDHMMJ-ZDUSSCGKSA-N 2 0 330.432 1.159 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482676 252249247 /nfs/dbraw/zinc/24/92/47/252249247.db2.gz VALMOXHBKPKUIE-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1 ZINC000458377717 285020129 /nfs/dbraw/zinc/02/01/29/285020129.db2.gz WJFIAUHIRLDLSI-HZPDHXFCSA-N 2 0 326.485 1.221 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000111811524 285023878 /nfs/dbraw/zinc/02/38/78/285023878.db2.gz XTMUJEWMTBLJSH-QGZVFWFLSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCCC[NH+]2CCCC[C@H]2C)C1 ZINC000347048708 285055303 /nfs/dbraw/zinc/05/53/03/285055303.db2.gz QRFVSPQQQINIAI-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000263184942 139327137 /nfs/dbraw/zinc/32/71/37/139327137.db2.gz HENLDMXWDNVYSF-XNRPHZJLSA-N 2 0 339.867 1.247 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415659942 304250334 /nfs/dbraw/zinc/25/03/34/304250334.db2.gz ROZYTZJWDWYDOP-OAHLLOKOSA-N 2 0 346.475 1.378 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCC[NH2+][C@H]2C)ccc1C[NH+](C)C ZINC000415675325 304254085 /nfs/dbraw/zinc/25/40/85/304254085.db2.gz LQBGYZIHMVCIMR-BBRMVZONSA-N 2 0 332.448 1.252 20 0 EDADRP [NH3+][C@H]1CCCCCC[C@H]1C(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000570273841 306534907 /nfs/dbraw/zinc/53/49/07/306534907.db2.gz TUIQZARBZNLVQK-CVEARBPZSA-N 2 0 331.464 1.727 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000415759960 304266990 /nfs/dbraw/zinc/26/69/90/304266990.db2.gz RNBNNUQGLMASQL-IYBDPMFKSA-N 2 0 344.459 1.145 20 0 EDADRP O=C(CN1C[C@@H]2C[C@H]1CS2)N1CCN(Cc2cccs2)CC1 ZINC000459796262 255002805 /nfs/dbraw/zinc/00/28/05/255002805.db2.gz QAZNNANXBKQMQW-ZFWWWQNUSA-N 2 0 337.514 1.582 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487574959 255033315 /nfs/dbraw/zinc/03/33/15/255033315.db2.gz PUZOXVFOGXNDPC-IAGOWNOFSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000570394318 306540331 /nfs/dbraw/zinc/54/03/31/306540331.db2.gz AHLKYMNXEBSXOD-GXTWGEPZSA-N 2 0 325.403 1.853 20 0 EDADRP CN1CCN(C(=O)/C=C/c2ccc(Br)cc2)[C@@H](C[NH3+])C1 ZINC000493558059 255215427 /nfs/dbraw/zinc/21/54/27/255215427.db2.gz QJJZLWFPOOVKHT-GBXSZLQWSA-N 2 0 338.249 1.564 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000494702048 255258679 /nfs/dbraw/zinc/25/86/79/255258679.db2.gz HAUYQMFGHPZOCS-GOEBONIOSA-N 2 0 334.464 1.226 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000495040250 255266629 /nfs/dbraw/zinc/26/66/29/255266629.db2.gz DYCDKXIKKWDPOD-INIZCTEOSA-N 2 0 346.475 1.125 20 0 EDADRP CCOC(=O)N1CCC(NC(=[NH2+])NCC2([NH+](C)C)CCC2)CC1 ZINC000496320654 255380508 /nfs/dbraw/zinc/38/05/08/255380508.db2.gz FWYCANCSVSMMPP-UHFFFAOYSA-N 2 0 325.457 1.206 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCOCC1 ZINC000345756217 285279666 /nfs/dbraw/zinc/27/96/66/285279666.db2.gz ABLLZALOAPGVIB-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@H](C[NH3+])C2)c1 ZINC000415828649 304278520 /nfs/dbraw/zinc/27/85/20/304278520.db2.gz DCDZPHJLTQLBAG-YOEHRIQHSA-N 2 0 346.475 1.711 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000417756146 285318709 /nfs/dbraw/zinc/31/87/09/285318709.db2.gz RWUDOMBWFBZPRO-DOTOQJQBSA-N 2 0 339.528 1.077 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)c1 ZINC000415828646 304278560 /nfs/dbraw/zinc/27/85/60/304278560.db2.gz DCDZPHJLTQLBAG-PBHICJAKSA-N 2 0 346.475 1.711 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000353779739 285333194 /nfs/dbraw/zinc/33/31/94/285333194.db2.gz RBRGIKRHKPYFLV-ROUUACIJSA-N 2 0 346.519 1.649 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H]2CCCC[NH2+]C2)ccc1C[NH+](C)C ZINC000415864231 304282285 /nfs/dbraw/zinc/28/22/85/304282285.db2.gz HTIJFVJDYDSOIT-INIZCTEOSA-N 2 0 332.448 1.253 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[NH+]([C@@H](CC)CO)CC2)c1 ZINC000415907502 304284702 /nfs/dbraw/zinc/28/47/02/304284702.db2.gz NHDXDIGEAAIYKP-KRWDZBQOSA-N 2 0 334.464 1.717 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)C[NH+]2CCN(C)CC2)c1 ZINC000415915547 304285257 /nfs/dbraw/zinc/28/52/57/304285257.db2.gz FUXZCNBGUKDPME-OAHLLOKOSA-N 2 0 333.480 1.411 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000271159525 140248477 /nfs/dbraw/zinc/24/84/77/140248477.db2.gz WAXYAOZWQILZMW-IAGOWNOFSA-N 2 0 345.487 1.518 20 0 EDADRP COC(=O)c1cc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c[nH]1 ZINC000271187242 140253084 /nfs/dbraw/zinc/25/30/84/140253084.db2.gz DXQFOQXXIYLNMQ-UHFFFAOYSA-N 2 0 348.491 1.792 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)C[C@H]2[C@H](C)O)CC1 ZINC000331277659 141002390 /nfs/dbraw/zinc/00/23/90/141002390.db2.gz GHTMAPQLRTXKTQ-VYDXJSESSA-N 2 0 325.497 1.457 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCN(c2ccccn2)CC1 ZINC000332543424 141199892 /nfs/dbraw/zinc/19/98/92/141199892.db2.gz LXDNNGGYIWKCOF-GDBMZVCRSA-N 2 0 331.464 1.962 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000333358949 141305236 /nfs/dbraw/zinc/30/52/36/141305236.db2.gz CONWGXADUCGCLD-BBWFWOEESA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000333466934 141321938 /nfs/dbraw/zinc/32/19/38/141321938.db2.gz ACACAXNPXMQJFX-WRNCNIFXSA-N 2 0 342.487 1.886 20 0 EDADRP Cc1nn(C)c(-n2ccnc2C)c1C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000333788561 141381874 /nfs/dbraw/zinc/38/18/74/141381874.db2.gz VXDMSFSTFMTYNF-CQSZACIVSA-N 2 0 330.436 1.389 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C(C)C ZINC000339609338 142092279 /nfs/dbraw/zinc/09/22/79/142092279.db2.gz VVRPYUICPOFRIO-UHFFFAOYSA-N 2 0 340.512 1.212 20 0 EDADRP Cc1nc(CC[NH+](C)C/C=C\C[N@H+](C)CCc2noc(C)n2)no1 ZINC000340198874 142300481 /nfs/dbraw/zinc/30/04/81/142300481.db2.gz SYAAJSIZHSNPMC-WAYWQWQTSA-N 2 0 334.424 1.274 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000344557278 142984402 /nfs/dbraw/zinc/98/44/02/142984402.db2.gz SMYZVTFCOQVAJV-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000345172449 143060883 /nfs/dbraw/zinc/06/08/83/143060883.db2.gz XMBMNLYMVRECPO-QGZVFWFLSA-N 2 0 341.544 1.243 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]([NH3+])CC(F)F)[NH+]2CCCC2)c1 ZINC000345698158 143122761 /nfs/dbraw/zinc/12/27/61/143122761.db2.gz BWWJJCLSDXGZQY-HUUCEWRRSA-N 2 0 341.402 1.931 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCOCC[NH+](C)C ZINC000346163212 143173942 /nfs/dbraw/zinc/17/39/42/143173942.db2.gz LHWQVTTXLKIUNX-AEFFLSMTSA-N 2 0 333.476 1.449 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN(C)C1CC[NH+](CCO)CC1 ZINC000346208873 143179184 /nfs/dbraw/zinc/17/91/84/143179184.db2.gz NUFVEWUKVMGXPK-UHFFFAOYSA-N 2 0 329.448 1.464 20 0 EDADRP CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000346337267 143193321 /nfs/dbraw/zinc/19/33/21/143193321.db2.gz NTUPEVYMSGPIKF-KRWDZBQOSA-N 2 0 325.497 1.679 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000346907728 143259250 /nfs/dbraw/zinc/25/92/50/143259250.db2.gz YZSXVFIJASBNQL-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[C@@H](CC1CCOCC1)C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347099125 143282550 /nfs/dbraw/zinc/28/25/50/143282550.db2.gz KKQYKSTXCXAQFD-FUHWJXTLSA-N 2 0 337.508 1.583 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000347164085 143289722 /nfs/dbraw/zinc/28/97/22/143289722.db2.gz PGSLLMMSDVSHIN-SJLPKXTDSA-N 2 0 348.491 1.435 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NCc1ccc(C[NH+](C)C)c(F)c1 ZINC000347444511 143321825 /nfs/dbraw/zinc/32/18/25/143321825.db2.gz MYPSVRPRHLIRKG-UHFFFAOYSA-N 2 0 340.443 1.001 20 0 EDADRP COC1CC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000347470539 143325611 /nfs/dbraw/zinc/32/56/11/143325611.db2.gz QBCYSVQHFFNGJK-UHFFFAOYSA-N 2 0 331.460 1.779 20 0 EDADRP COC1(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CCOCC1 ZINC000372993204 292121260 /nfs/dbraw/zinc/12/12/60/292121260.db2.gz OPBOWQUHVJAIKP-UHFFFAOYSA-N 2 0 339.524 1.722 20 0 EDADRP COc1ccccc1-n1nccc1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000572764070 306598794 /nfs/dbraw/zinc/59/87/94/306598794.db2.gz FUVKWEZFSXMEBG-UHFFFAOYSA-N 2 0 345.491 1.806 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)Cc1nnc2n1CCCCC2 ZINC000369755528 155162873 /nfs/dbraw/zinc/16/28/73/155162873.db2.gz ROQGAXNOFHKFDP-UHFFFAOYSA-N 2 0 334.512 1.462 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369779410 155172583 /nfs/dbraw/zinc/17/25/83/155172583.db2.gz VYNMUCROKPFCFM-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP C[N@H+](C[C@H]1CCCN(S(C)(=O)=O)C1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352920987 149216191 /nfs/dbraw/zinc/21/61/91/149216191.db2.gz CQFREALHPWHIMN-JZWPEALZSA-N 2 0 329.510 1.215 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]([NH3+])CCSC)CC1 ZINC000353210793 149325987 /nfs/dbraw/zinc/32/59/87/149325987.db2.gz ZLPFERYCYFGZAY-OAHLLOKOSA-N 2 0 331.526 1.416 20 0 EDADRP CCN1CCO[C@H](C(=O)NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)C1 ZINC000369928331 155238990 /nfs/dbraw/zinc/23/89/90/155238990.db2.gz QDDAJTBPPMQEIL-OFQRWUPVSA-N 2 0 337.489 1.578 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416970174 304357222 /nfs/dbraw/zinc/35/72/22/304357222.db2.gz MWFSPVAYRWXOJB-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000416972837 304358342 /nfs/dbraw/zinc/35/83/42/304358342.db2.gz ISZBPNIJVXLRAS-QAPCUYQASA-N 2 0 330.476 1.682 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)N(C)CC[NH3+])cc2)C[C@H](C)O1 ZINC000416974076 304358536 /nfs/dbraw/zinc/35/85/36/304358536.db2.gz WDVAPRJDSDCLJN-GASCZTMLSA-N 2 0 334.464 1.396 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NCCC[C@H]2CCC[NH2+]2)c1 ZINC000416977473 304359754 /nfs/dbraw/zinc/35/97/54/304359754.db2.gz TVOJHRFZUGUVMZ-QGZVFWFLSA-N 2 0 348.491 1.958 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CCC[NH2+]CC1 ZINC000416980062 304360298 /nfs/dbraw/zinc/36/02/98/304360298.db2.gz AZPHHRWKXGCWGZ-UHFFFAOYSA-N 2 0 348.491 1.912 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000355048572 150091407 /nfs/dbraw/zinc/09/14/07/150091407.db2.gz YSGBINMNSHBXRL-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@H]2CCN2Cc2ccccc2)CCSC1 ZINC000355534636 150305670 /nfs/dbraw/zinc/30/56/70/150305670.db2.gz OXUAPERKVSVRLQ-AEFFLSMTSA-N 2 0 333.501 1.814 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@@H]2C[NH2+]CCO2)C1 ZINC000417033793 304363638 /nfs/dbraw/zinc/36/36/38/304363638.db2.gz FRMRQAFBVGGUFM-XHSDSOJGSA-N 2 0 326.485 1.032 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000356257328 150571894 /nfs/dbraw/zinc/57/18/94/150571894.db2.gz CMUJMIUQTCEYSM-HNNXBMFYSA-N 2 0 325.497 1.914 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)NCC[C@H]1CC[NH2+]C1 ZINC000417039042 304364718 /nfs/dbraw/zinc/36/47/18/304364718.db2.gz URSGDKPJRHCKDX-MRXNPFEDSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]([NH3+])[C@H]1C)N1CCN(c2ccccc2)CC1 ZINC000417042268 304365192 /nfs/dbraw/zinc/36/51/92/304365192.db2.gz NGEFLRJBMREPOE-NUJGCVRESA-N 2 0 345.491 1.328 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)N(C)CC[NH3+])CC2)c1 ZINC000417047681 304366559 /nfs/dbraw/zinc/36/65/59/304366559.db2.gz DMKONRIGXUICPI-UHFFFAOYSA-N 2 0 347.507 1.497 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)N[C@H]1CCC[NH2+]CC1 ZINC000370023675 155287367 /nfs/dbraw/zinc/28/73/67/155287367.db2.gz ZFOQERMYBSCDLH-KRWDZBQOSA-N 2 0 330.476 1.457 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(=O)n(C)c(=O)n2C)CC1 ZINC000357699620 151119871 /nfs/dbraw/zinc/11/98/71/151119871.db2.gz TZJJTEHYEZGDEA-UHFFFAOYSA-N 2 0 336.480 1.028 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000358017722 151236564 /nfs/dbraw/zinc/23/65/64/151236564.db2.gz IJPRFVTVXGHBFD-MJGOQNOKSA-N 2 0 345.487 1.736 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CN(C)C[C@@H]2C)cc1 ZINC000358079282 151262043 /nfs/dbraw/zinc/26/20/43/151262043.db2.gz DMQYYLWKWJWNSP-YOEHRIQHSA-N 2 0 339.505 1.757 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000358287309 151326084 /nfs/dbraw/zinc/32/60/84/151326084.db2.gz BXFBFRBAAUDOFV-IAGOWNOFSA-N 2 0 340.512 1.253 20 0 EDADRP CC[C@H](C(=O)N1CCN(c2cc[nH+]cc2OC)CC1)[NH+](CC)CC ZINC000358287286 151326417 /nfs/dbraw/zinc/32/64/17/151326417.db2.gz HUVUKAAKULKHHP-OAHLLOKOSA-N 2 0 334.464 1.859 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000358463829 151385824 /nfs/dbraw/zinc/38/58/24/151385824.db2.gz IHFNLWIZKLDEAY-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358497251 151394790 /nfs/dbraw/zinc/39/47/90/151394790.db2.gz ATKHCUUMROSSGC-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP CS(=O)(=O)c1ccc(OCC[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508633 151399528 /nfs/dbraw/zinc/39/95/28/151399528.db2.gz LNIJRUCFCVXQSD-UHFFFAOYSA-N 2 0 338.473 1.544 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CCSC1 ZINC000360377368 152011786 /nfs/dbraw/zinc/01/17/86/152011786.db2.gz LGHFEPSXADQASV-QGZVFWFLSA-N 2 0 342.553 1.987 20 0 EDADRP CSC1(CNC(=O)N2CC[NH+](C(C)C)CC2)CC[NH+](C)CC1 ZINC000360688352 152153206 /nfs/dbraw/zinc/15/32/06/152153206.db2.gz CUENYIMAAQQETB-UHFFFAOYSA-N 2 0 328.526 1.549 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000360889936 152242614 /nfs/dbraw/zinc/24/26/14/152242614.db2.gz VOJOMSBQLZNXIJ-GVDBMIGSSA-N 2 0 342.528 1.593 20 0 EDADRP CC[NH+]1CCN(c2cc(C)nc([C@H](C)N3CC[NH+](CC)CC3)n2)CC1 ZINC000361020966 152281225 /nfs/dbraw/zinc/28/12/25/152281225.db2.gz SBAXYNCOEXIPTJ-KRWDZBQOSA-N 2 0 346.523 1.625 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1(C)C ZINC000377529562 286307499 /nfs/dbraw/zinc/30/74/99/286307499.db2.gz FCHCAVJYCQNNTF-PXTQAZKISA-N 2 0 338.477 1.430 20 0 EDADRP C[NH+](C)CCOCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000361676529 152464167 /nfs/dbraw/zinc/46/41/67/152464167.db2.gz ZSYYMBOPDCWQEL-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP Cc1nnc(CN[C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)n1C1CC1 ZINC000363711585 153036256 /nfs/dbraw/zinc/03/62/56/153036256.db2.gz ZEJCFWBCRJDOOP-KBRIMQKVSA-N 2 0 333.480 1.900 20 0 EDADRP Cn1nccc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccnn1C)CC2 ZINC000364080177 153140405 /nfs/dbraw/zinc/14/04/05/153140405.db2.gz DUFPWLHKCIGAPK-UHFFFAOYSA-N 2 0 328.464 1.642 20 0 EDADRP COCCCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000364725978 153315270 /nfs/dbraw/zinc/31/52/70/153315270.db2.gz HICIBVOXKQKULJ-CVEARBPZSA-N 2 0 334.464 1.665 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000364852145 153350923 /nfs/dbraw/zinc/35/09/23/153350923.db2.gz SFLNEAQSAZCODU-XHSDSOJGSA-N 2 0 329.488 1.965 20 0 EDADRP CC(=O)NCCCN1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367143494 154020351 /nfs/dbraw/zinc/02/03/51/154020351.db2.gz IURQZZFEYPWAQM-HXUWFJFHSA-N 2 0 344.503 1.405 20 0 EDADRP C[N@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)CN1CCCC1=O)CC2)C1CC1 ZINC000367208002 154041924 /nfs/dbraw/zinc/04/19/24/154041924.db2.gz FWXKSINNJBQTGI-DOTOQJQBSA-N 2 0 335.492 1.166 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000417299481 304391185 /nfs/dbraw/zinc/39/11/85/304391185.db2.gz RQVWRQYUJANBOX-GOSISDBHSA-N 2 0 348.491 1.659 20 0 EDADRP CN(C(=O)[C@]12C[NH2+]C[C@@H]1CCCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000367650542 154214106 /nfs/dbraw/zinc/21/41/06/154214106.db2.gz HDIWXWWGSOAVLD-OXJNMPFZSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCOCC2)CCN1c1cc(N2CCCC2)ncn1 ZINC000367824288 154286319 /nfs/dbraw/zinc/28/63/19/154286319.db2.gz GQPDEFSYVMUNAC-OAHLLOKOSA-N 2 0 331.464 1.766 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@H](O)COCc3ccc4c(c3)OCO4)C2)C1 ZINC000367846282 154297090 /nfs/dbraw/zinc/29/70/90/154297090.db2.gz LPVQAHCVDWKAJY-APWZRJJASA-N 2 0 348.443 1.320 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CC[C@@H](CC(N)=O)C3)c2cc1C ZINC000367993516 154360135 /nfs/dbraw/zinc/36/01/35/154360135.db2.gz LZAQOCHSFAUWRW-LSDHHAIUSA-N 2 0 330.432 1.211 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000368005237 154364705 /nfs/dbraw/zinc/36/47/05/154364705.db2.gz HTEISCXPECDAAV-ZSGPHXLJSA-N 2 0 331.460 1.645 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](Cc3ccc(C(N)=O)cc3)CC2)CC1 ZINC000369152858 154891357 /nfs/dbraw/zinc/89/13/57/154891357.db2.gz AYLARAXDHFFMGW-UHFFFAOYSA-N 2 0 344.503 1.778 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1=O ZINC000369600202 155105835 /nfs/dbraw/zinc/10/58/35/155105835.db2.gz IVLQFJJCCDPSFH-ILXRZTDVSA-N 2 0 334.464 1.123 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)NCC2CC[NH+](C3CC3)CC2)C1 ZINC000369648966 155120007 /nfs/dbraw/zinc/12/00/07/155120007.db2.gz OYKBIMIKUGZTPX-WMZOPIPTSA-N 2 0 334.508 1.987 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000417477429 304399002 /nfs/dbraw/zinc/39/90/02/304399002.db2.gz GNJHEHVNMCRTLA-SJORKVTESA-N 2 0 348.491 1.944 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000371568718 156008245 /nfs/dbraw/zinc/00/82/45/156008245.db2.gz AORFHLAGNWFITG-IAGOWNOFSA-N 2 0 338.496 1.100 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000371968665 156188513 /nfs/dbraw/zinc/18/85/13/156188513.db2.gz ZYURJAOIIDBPLQ-YJBOKZPZSA-N 2 0 334.508 1.987 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417535187 304404348 /nfs/dbraw/zinc/40/43/48/304404348.db2.gz BMPNZSWYLNCYMF-LSDHHAIUSA-N 2 0 340.512 1.693 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C3([NH3+])Cc4ccccc4C3)cc2)[nH]1 ZINC000373890956 157051270 /nfs/dbraw/zinc/05/12/70/157051270.db2.gz HEDBAFHQGQXNMP-UHFFFAOYSA-N 2 0 348.410 1.365 20 0 EDADRP C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374295079 157230635 /nfs/dbraw/zinc/23/06/35/157230635.db2.gz IXGACCWFYMZDBS-UONOGXRCSA-N 2 0 348.491 1.559 20 0 EDADRP Cc1ncc2n1CC[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC000377936132 158033304 /nfs/dbraw/zinc/03/33/04/158033304.db2.gz HKDKSPLARKEQDI-KRWDZBQOSA-N 2 0 349.523 1.486 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1 ZINC000378204436 158109078 /nfs/dbraw/zinc/10/90/78/158109078.db2.gz WAFYNPOXDAQRKK-GOSISDBHSA-N 2 0 338.540 1.961 20 0 EDADRP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378208094 158110238 /nfs/dbraw/zinc/11/02/38/158110238.db2.gz FWRVGXAAKBRMII-FHWLQOOXSA-N 2 0 349.519 1.868 20 0 EDADRP C[C@H]1C[N@H+](CCC(=O)Nc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000378309823 158135636 /nfs/dbraw/zinc/13/56/36/158135636.db2.gz BXUPDVFQPUUJFK-HKUYNNGSSA-N 2 0 344.503 1.973 20 0 EDADRP [NH3+][C@H](CNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1 ZINC000417910974 304430072 /nfs/dbraw/zinc/43/00/72/304430072.db2.gz LZGPTEOKLMIIPF-SQNIBIBYSA-N 2 0 346.475 1.363 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417916177 304430706 /nfs/dbraw/zinc/43/07/06/304430706.db2.gz UQAMITKCWXCTJS-IXDOHACOSA-N 2 0 340.512 1.571 20 0 EDADRP CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000352186208 162038128 /nfs/dbraw/zinc/03/81/28/162038128.db2.gz JWPBRHUOXSNPRE-SJORKVTESA-N 2 0 347.503 1.858 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000352397532 162161799 /nfs/dbraw/zinc/16/17/99/162161799.db2.gz HULDRTXQFGLTQH-HNNXBMFYSA-N 2 0 333.480 1.294 20 0 EDADRP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[C@@H](S(C)(=O)=O)C2)CC1 ZINC000352442185 162183289 /nfs/dbraw/zinc/18/32/89/162183289.db2.gz LRPMPDKCRAHYAS-DLBZAZTESA-N 2 0 345.553 1.205 20 0 EDADRP C[C@@H](NC(=O)N1CCC(C[NH+]2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333661934 286949690 /nfs/dbraw/zinc/94/96/90/286949690.db2.gz LROHRJCUMXKOGR-WBVHZDCISA-N 2 0 338.496 1.128 20 0 EDADRP C[C@@H]([NH2+]CCCS(=O)(=O)N(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347949157 287026276 /nfs/dbraw/zinc/02/62/76/287026276.db2.gz GZFITQYEQQWDFT-CABCVRRESA-N 2 0 331.526 1.511 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000179853717 287085635 /nfs/dbraw/zinc/08/56/35/287085635.db2.gz ISVHQKRNOIUARZ-CRAIPNDOSA-N 2 0 333.476 1.280 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000418177442 304459745 /nfs/dbraw/zinc/45/97/45/304459745.db2.gz XPXBAALKZWVQTI-CQSZACIVSA-N 2 0 334.464 1.567 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000418189007 304462107 /nfs/dbraw/zinc/46/21/07/304462107.db2.gz HADLYSBJORBVDI-HNNXBMFYSA-N 2 0 337.468 1.195 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCc1ccncc1OCC[NH+](C)C ZINC000418191639 304462765 /nfs/dbraw/zinc/46/27/65/304462765.db2.gz LCBDCWJGYIAUOI-GOEBONIOSA-N 2 0 349.479 1.433 20 0 EDADRP CSc1ccc([C@@H](CNC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000418228689 304467313 /nfs/dbraw/zinc/46/73/13/304467313.db2.gz FLLRYVLMMZHXCB-HLLBOEOZSA-N 2 0 348.516 1.872 20 0 EDADRP C[C@@H]1CC2(CN1C(=O)c1ccn([C@H]3CCC[NH2+]C3)n1)CC[NH2+]CC2 ZINC000424241851 287237089 /nfs/dbraw/zinc/23/70/89/287237089.db2.gz QDIDHAPTYSXASA-CABCVRRESA-N 2 0 331.464 1.412 20 0 EDADRP C[NH2+]CCNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418338053 304482792 /nfs/dbraw/zinc/48/27/92/304482792.db2.gz YUOFNBCTVGGWRS-HUUCEWRRSA-N 2 0 326.485 1.127 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H](C)[C@@H](C)C2)C1 ZINC000122946704 222188847 /nfs/dbraw/zinc/18/88/47/222188847.db2.gz YJIOQAQYPOGSIO-YESZJQIVSA-N 2 0 325.497 1.437 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)nc4ccccn43)C2)CC1 ZINC000123290933 222250208 /nfs/dbraw/zinc/25/02/08/222250208.db2.gz ODTZXXRZJHWCLO-KRWDZBQOSA-N 2 0 327.476 1.855 20 0 EDADRP Cn1cc(N2CC[C@@H]([NH+]3CCC(CCC[NH+](C)C)CC3)C2=O)cn1 ZINC000123492193 222287432 /nfs/dbraw/zinc/28/74/32/222287432.db2.gz IMZYBXISRVEVMF-QGZVFWFLSA-N 2 0 333.480 1.579 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000124039849 222368292 /nfs/dbraw/zinc/36/82/92/222368292.db2.gz WRZNSLZUTXIXDY-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP CC[C@]1(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CCC[NH2+]1 ZINC000134574085 287557358 /nfs/dbraw/zinc/55/73/58/287557358.db2.gz DRUNZVYFTMNQIA-QGZVFWFLSA-N 2 0 325.522 1.996 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000153875498 287633902 /nfs/dbraw/zinc/63/39/02/287633902.db2.gz GOKCEFSKWGEZBS-UHFFFAOYSA-N 3 0 341.544 1.384 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cc12 ZINC000185897443 267699721 /nfs/dbraw/zinc/69/97/21/267699721.db2.gz MWWVTDJUNYTKCZ-UHFFFAOYSA-N 2 0 344.507 1.782 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000275554981 268359855 /nfs/dbraw/zinc/35/98/55/268359855.db2.gz AKMCOFVIYAKZBB-SFHVURJKSA-N 2 0 346.475 1.282 20 0 EDADRP COc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c(C)c1 ZINC000104102275 272919275 /nfs/dbraw/zinc/91/92/75/272919275.db2.gz WPVVTMIWADTEJA-UHFFFAOYSA-N 2 0 343.493 1.118 20 0 EDADRP CSc1nc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c2ccccn21 ZINC000104533657 272919713 /nfs/dbraw/zinc/91/97/13/272919713.db2.gz AHTORKLVABLVGU-UHFFFAOYSA-N 2 0 349.504 1.622 20 0 EDADRP C[C@H](CS(=O)(=O)c1ccccc1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000122375985 272925615 /nfs/dbraw/zinc/92/56/15/272925615.db2.gz PRYBIDAKJGHWNZ-OAHLLOKOSA-N 2 0 340.489 1.143 20 0 EDADRP C[NH+](C)CCN(C(=O)Nc1ccn(CC[NH+](C)C)n1)C1CCCC1 ZINC000154849240 287650923 /nfs/dbraw/zinc/65/09/23/287650923.db2.gz ASQYAXHOFVGCDE-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@](C)(O)CC1)c1ccccc1 ZINC000280163552 273346738 /nfs/dbraw/zinc/34/67/38/273346738.db2.gz SESNOWMYXDQOKB-MJGOQNOKSA-N 2 0 333.476 1.642 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccc(Cl)nn1 ZINC000280700892 273387544 /nfs/dbraw/zinc/38/75/44/273387544.db2.gz FIIIOIHTIDRAJG-UHFFFAOYSA-N 2 0 327.860 1.476 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000377530823 287684093 /nfs/dbraw/zinc/68/40/93/287684093.db2.gz REUBMUVTWAGHRM-BRSBDYLESA-N 2 0 336.524 1.392 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC(=O)N(C)[C@H]2c2cnn(C)c2C)[C@H](C)C1 ZINC000331939262 276228987 /nfs/dbraw/zinc/22/89/87/276228987.db2.gz DZYVTFWFZKZGOQ-FDZBUTDGSA-N 2 0 347.507 1.568 20 0 EDADRP CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000265522431 277080273 /nfs/dbraw/zinc/08/02/73/277080273.db2.gz SZFWJEPKMXVCKO-AEFFLSMTSA-N 2 0 349.475 1.658 20 0 EDADRP COC(=O)[C@](C)(O)C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000353505784 277142580 /nfs/dbraw/zinc/14/25/80/277142580.db2.gz YUCLMAIYZNONMU-RVKKMQEKSA-N 2 0 342.480 1.122 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[C@@H]1c1ccccc1 ZINC000417942505 277166189 /nfs/dbraw/zinc/16/61/89/277166189.db2.gz OBUYEHAVOMVPMC-XSLAGTTESA-N 2 0 328.460 1.683 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000262945887 277279127 /nfs/dbraw/zinc/27/91/27/277279127.db2.gz UZOJCNGPCZVWGN-MSOLQXFVSA-N 2 0 333.476 1.940 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@@H](CO)C[NH+]1CCCCC1)[NH+]1CCCCC1 ZINC000340843708 277726065 /nfs/dbraw/zinc/72/60/65/277726065.db2.gz IDPOLYAHKHIMKV-SJORKVTESA-N 2 0 325.497 1.460 20 0 EDADRP CS[C@@H]1CN(C(=O)C[N@H+](C)[C@H]2CCSC2)C[C@H]1[NH+]1CCCC1 ZINC000361626666 278148694 /nfs/dbraw/zinc/14/86/94/278148694.db2.gz XZMJZWXUYCISBZ-RRFJBIMHSA-N 2 0 343.562 1.462 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1)[NH+]1CCCCCC1 ZINC000362885376 278213203 /nfs/dbraw/zinc/21/32/03/278213203.db2.gz ONTWADBWVRWYPN-IRXDYDNUSA-N 2 0 336.524 1.536 20 0 EDADRP CC(C)(C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000417835387 278267462 /nfs/dbraw/zinc/26/74/62/278267462.db2.gz VYWDTXCDSLUPMI-IRXDYDNUSA-N 2 0 330.476 1.219 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)NCCC[NH+]1CCCCCC1 ZINC000364200263 278434590 /nfs/dbraw/zinc/43/45/90/278434590.db2.gz HVXFGPDIASYDBJ-FRQCXROJSA-N 2 0 337.508 1.901 20 0 EDADRP CCN(CC)C(=O)C[N@@H+]1CCCN(CC[C@H]2CCCC[NH+]2C)CC1 ZINC000351631505 279068483 /nfs/dbraw/zinc/06/84/83/279068483.db2.gz GBWNESXRKWIEAM-GOSISDBHSA-N 2 0 338.540 1.737 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)CNC(=O)[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000351519340 279162107 /nfs/dbraw/zinc/16/21/07/279162107.db2.gz FJWSEHFJZHVQCL-DLBZAZTESA-N 2 0 346.475 1.054 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352661760 279229645 /nfs/dbraw/zinc/22/96/45/279229645.db2.gz UYWDPSHCOHZHAY-YSHGAJCASA-N 2 0 345.487 1.611 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000417026101 279396717 /nfs/dbraw/zinc/39/67/17/279396717.db2.gz RWYWOHDEPCFDFP-FUHWJXTLSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H]2CCCN2C[C@H](O)C[NH+](C)C2CC2)C[C@H](C)O1 ZINC000351477574 288192720 /nfs/dbraw/zinc/19/27/20/288192720.db2.gz NTMSMGRDBHDUIQ-CIRFHOKZSA-N 2 0 325.497 1.015 20 0 EDADRP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000288874323 288585082 /nfs/dbraw/zinc/58/50/82/288585082.db2.gz YVYSJNSEJHYEKT-KRWDZBQOSA-N 2 0 349.475 1.638 20 0 EDADRP COc1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cc(OC)c1O ZINC000289757413 288774121 /nfs/dbraw/zinc/77/41/21/288774121.db2.gz QEZXUSOADNUAKT-CQSZACIVSA-N 2 0 337.464 1.525 20 0 EDADRP C[C@@]([NH3+])(C(=O)N1CCC[C@@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000262023208 289109810 /nfs/dbraw/zinc/10/98/10/289109810.db2.gz ZFOVZEBHVSNSFD-NHYWBVRUSA-N 2 0 340.265 1.820 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959916 289114346 /nfs/dbraw/zinc/11/43/46/289114346.db2.gz VOELPBFWKVXIOG-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)CC[C@H]2CCC[NH2+]2)cc1 ZINC000292046477 289247548 /nfs/dbraw/zinc/24/75/48/289247548.db2.gz IQXCXUHVUHWYQV-QGZVFWFLSA-N 2 0 346.475 1.126 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCNC(=O)C(F)(F)F ZINC000378439061 289331609 /nfs/dbraw/zinc/33/16/09/289331609.db2.gz ZPKVKFKCLBLLOP-FRRDWIJNSA-N 2 0 337.386 1.239 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)CCSC1 ZINC000416015041 289400584 /nfs/dbraw/zinc/40/05/84/289400584.db2.gz VWDJGKGSVDGGKP-KOLCDFICSA-N 2 0 328.404 1.003 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)C[C@@H](C)O1 ZINC000137211894 296993242 /nfs/dbraw/zinc/99/32/42/296993242.db2.gz CFBGXGLQHAYTGQ-NUJGCVRESA-N 2 0 349.519 1.724 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000262856079 293520900 /nfs/dbraw/zinc/52/09/00/293520900.db2.gz KQXQLDLJQBNBFS-OFLPRAFFSA-N 2 0 325.497 1.709 20 0 EDADRP CO[C@@H]1CCN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000417025107 293729854 /nfs/dbraw/zinc/72/98/54/293729854.db2.gz XOHFUYSEHRFGAT-KFWWJZLASA-N 2 0 340.493 1.499 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC2([NH3+])CCC2)cc1 ZINC000418537461 304509401 /nfs/dbraw/zinc/50/94/01/304509401.db2.gz CWDBFEJJZOBADX-HOTGVXAUSA-N 2 0 332.448 1.321 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000418552269 304512282 /nfs/dbraw/zinc/51/22/82/304512282.db2.gz BQSYFCDKWITSIQ-YOEHRIQHSA-N 2 0 334.464 1.883 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000376320493 297261170 /nfs/dbraw/zinc/26/11/70/297261170.db2.gz HRHPFOZIZXLISJ-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)NC2CCC([NH3+])CC2)[NH+](C)C)cc1 ZINC000418817985 304534934 /nfs/dbraw/zinc/53/49/34/304534934.db2.gz MYMQBNRJHBDVAF-OFLPRAFFSA-N 2 0 346.475 1.100 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000418836505 304538180 /nfs/dbraw/zinc/53/81/80/304538180.db2.gz RIKZCWCEALWEDI-QWHCGFSZSA-N 2 0 340.493 1.101 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000419643744 304649005 /nfs/dbraw/zinc/64/90/05/304649005.db2.gz NOPASXDHAJVFCZ-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)CC3(O)CCCC3)CC2)CC1 ZINC000422025470 447313344 /nfs/dbraw/zinc/31/33/44/447313344.db2.gz RZPGWQFYUNDTCT-UHFFFAOYSA-N 2 0 337.508 1.700 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000420364137 304752436 /nfs/dbraw/zinc/75/24/36/304752436.db2.gz IHYJZZFICCZVKT-JTDSTZFVSA-N 2 0 344.503 1.435 20 0 EDADRP C[C@H]1[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)CCCN1Cc1ccccc1 ZINC000294496375 303116025 /nfs/dbraw/zinc/11/60/25/303116025.db2.gz YBVLSUIZLGHQLH-RDJZCZTQSA-N 2 0 341.459 1.782 20 0 EDADRP CCOC(=O)c1cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)[nH]c1C ZINC000294675903 303136056 /nfs/dbraw/zinc/13/60/56/303136056.db2.gz AUTFTKDXROMBEK-AWEZNQCLSA-N 2 0 336.480 1.615 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)[C@@H](C)CO)CC1 ZINC000295808463 303270124 /nfs/dbraw/zinc/27/01/24/303270124.db2.gz TXBFGZYDAAZZBW-ZWKOTPCHSA-N 2 0 347.503 1.636 20 0 EDADRP C[NH2+]CCC[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414862636 447333331 /nfs/dbraw/zinc/33/33/31/447333331.db2.gz VTFFEFJVEYMBBV-UHFFFAOYSA-N 2 0 330.432 1.948 20 0 EDADRP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[NH+]1CCCCCC1 ZINC000304304839 303752537 /nfs/dbraw/zinc/75/25/37/303752537.db2.gz IXJOBAMADKEKJX-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP C[C@H](C[NH3+])C[NH2+]Cc1cn(C)nc1-c1ccc2c(c1)OCCCO2 ZINC000414878192 447340256 /nfs/dbraw/zinc/34/02/56/447340256.db2.gz OBNRFASURXJXKG-CYBMUJFWSA-N 2 0 330.432 1.933 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000422705459 304878933 /nfs/dbraw/zinc/87/89/33/304878933.db2.gz CDDKGQKEUKVDIB-UHFFFAOYSA-N 2 0 345.487 1.994 20 0 EDADRP CC[C@@H]1CN(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCO1 ZINC000423087061 304885292 /nfs/dbraw/zinc/88/52/92/304885292.db2.gz NEVDFYZAQVVYDS-POAQFYNOSA-N 2 0 345.487 1.943 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+]CCNS(=O)(=O)c1ccc(F)cc1Cl ZINC000423111333 304886881 /nfs/dbraw/zinc/88/68/81/304886881.db2.gz IVOUIIXQMDHCPG-JTQLQIEISA-N 2 0 337.848 1.474 20 0 EDADRP COc1ccc([C@@H](NCCCN2CC[NH2+]CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423194761 304889134 /nfs/dbraw/zinc/88/91/34/304889134.db2.gz YRDKNLBGSADQEU-RTBURBONSA-N 2 0 332.492 1.373 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000423330121 304892772 /nfs/dbraw/zinc/89/27/72/304892772.db2.gz LXWHVAGPMIKBKU-KRWDZBQOSA-N 2 0 347.459 1.425 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)C12CCOCC2 ZINC000423411525 304894765 /nfs/dbraw/zinc/89/47/65/304894765.db2.gz USWDQOPKKWPWAA-HOTGVXAUSA-N 2 0 326.481 1.566 20 0 EDADRP CC(C)c1nc2n(n1)C[C@@H]([NH2+]Cc1cc(C3CC[NH2+]CC3)no1)CC2 ZINC000425894779 304976326 /nfs/dbraw/zinc/97/63/26/304976326.db2.gz HCIBQSCZTXRRJG-AWEZNQCLSA-N 2 0 344.463 1.961 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000428617099 305012951 /nfs/dbraw/zinc/01/29/51/305012951.db2.gz INRMHGLYJGHSIW-SFHVURJKSA-N 2 0 344.503 1.786 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC(C)(C)O1 ZINC000430083305 305045070 /nfs/dbraw/zinc/04/50/70/305045070.db2.gz GYFLAEALINMDPV-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH2+]CC1 ZINC000430641006 305060753 /nfs/dbraw/zinc/06/07/53/305060753.db2.gz RWWFBBFFWOUMJA-UHFFFAOYSA-N 2 0 344.503 1.582 20 0 EDADRP C[C@H](CC(=O)NCC1([NH+]2CCCC2)CCOCC1)C1CC[NH2+]CC1 ZINC000430723010 305063392 /nfs/dbraw/zinc/06/33/92/305063392.db2.gz RLLKEVXNCDSYIK-MRXNPFEDSA-N 2 0 337.508 1.773 20 0 EDADRP C[NH2+]CCCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000430877779 305066640 /nfs/dbraw/zinc/06/66/40/305066640.db2.gz KARFQDSGNNDFED-HNNXBMFYSA-N 2 0 332.448 1.322 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000430938143 305069348 /nfs/dbraw/zinc/06/93/48/305069348.db2.gz ANIRSSUJMZSQDR-NSHDSACASA-N 2 0 348.403 1.123 20 0 EDADRP CCOc1cccc(CNC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431030460 305073085 /nfs/dbraw/zinc/07/30/85/305073085.db2.gz NGUNLPMRGFFJLW-UHFFFAOYSA-N 2 0 331.460 1.777 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NC[C@@H]1COc2ccccc2O1 ZINC000431029122 305073107 /nfs/dbraw/zinc/07/31/07/305073107.db2.gz YCNXWSSGURCXLD-OAHLLOKOSA-N 2 0 345.443 1.018 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431037054 305073348 /nfs/dbraw/zinc/07/33/48/305073348.db2.gz ZMAKMTFBIJZWJL-UHFFFAOYSA-N 2 0 331.460 1.729 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])CC2)CCO1 ZINC000431062739 305073983 /nfs/dbraw/zinc/07/39/83/305073983.db2.gz SWESZUHSOZDVCB-NJAFHUGGSA-N 2 0 337.508 1.996 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)CCO1 ZINC000431062737 305074013 /nfs/dbraw/zinc/07/40/13/305074013.db2.gz SWESZUHSOZDVCB-BPQIPLTHSA-N 2 0 337.508 1.996 20 0 EDADRP CO[C@@]1(C)C[C@@H](N(C)C(=O)CCC[NH+]2CCC([NH3+])CC2)C1(C)C ZINC000433158553 305101889 /nfs/dbraw/zinc/10/18/89/305101889.db2.gz JYZPTKPWSCMQTI-QAPCUYQASA-N 2 0 325.497 1.852 20 0 EDADRP C[C@@H]1CCCC[C@H]1OCCNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433161580 305102161 /nfs/dbraw/zinc/10/21/61/305102161.db2.gz KKKHLBVTAZZOQL-NVXWUHKLSA-N 2 0 325.497 1.901 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)CCCO1 ZINC000433280429 305104663 /nfs/dbraw/zinc/10/46/63/305104663.db2.gz BXUPXGWKGMKDQO-BRWVUGGUSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c1 ZINC000433381940 305107002 /nfs/dbraw/zinc/10/70/02/305107002.db2.gz MICFBIOLLCXLMZ-HNNXBMFYSA-N 2 0 328.420 1.517 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1C1CC1 ZINC000433927484 305114819 /nfs/dbraw/zinc/11/48/19/305114819.db2.gz SBAFIFPROFEVAR-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP O=C1CCC(=O)N1CC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435692841 305145495 /nfs/dbraw/zinc/14/54/95/305145495.db2.gz KOCSPRMOBWKGTG-OAHLLOKOSA-N 2 0 347.484 1.841 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCC[C@@H](O)C1 ZINC000439460018 305197849 /nfs/dbraw/zinc/19/78/49/305197849.db2.gz GEGPKZYOVVMJBI-FUHWJXTLSA-N 2 0 346.475 1.261 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@]1([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000446365712 305263791 /nfs/dbraw/zinc/26/37/91/305263791.db2.gz BEQISSVTMMPXLN-DEWZPKMOSA-N 2 0 335.492 1.652 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000447724049 305284428 /nfs/dbraw/zinc/28/44/28/305284428.db2.gz SULIVPAFEBKNIL-QGZVFWFLSA-N 2 0 346.475 1.648 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCSC1 ZINC000448248533 305294424 /nfs/dbraw/zinc/29/44/24/305294424.db2.gz JYHMEQPXLLCFGT-OAHLLOKOSA-N 2 0 330.542 1.655 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)COC1CCC([NH3+])CC1)c1ccsc1 ZINC000449088602 305306239 /nfs/dbraw/zinc/30/62/39/305306239.db2.gz IDRQMXPUJOYPHS-NRXISQOPSA-N 2 0 325.478 1.754 20 0 EDADRP CCO[C@@H]1CCC[C@H]1[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000452022057 305379215 /nfs/dbraw/zinc/37/92/15/305379215.db2.gz OZGCQNXJUPNCLR-GVDBMIGSSA-N 2 0 341.496 1.007 20 0 EDADRP C[C@H]1CN(C(=O)[C@@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000452170798 305385708 /nfs/dbraw/zinc/38/57/08/305385708.db2.gz JCUDOFJGIBOAFN-QAPCUYQASA-N 2 0 335.492 1.573 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425898068 447354702 /nfs/dbraw/zinc/35/47/02/447354702.db2.gz XRAFXEKMYRKDLP-MRXNPFEDSA-N 3 0 336.480 1.468 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000414917967 447356470 /nfs/dbraw/zinc/35/64/70/447356470.db2.gz SRVCHLYVEHGHQX-UHFFFAOYSA-N 2 0 348.491 1.970 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCCO1 ZINC000516856141 305742726 /nfs/dbraw/zinc/74/27/26/305742726.db2.gz NGOVBVCBBHKUTG-QZTJIDSGSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000517230108 305750000 /nfs/dbraw/zinc/75/00/00/305750000.db2.gz NGWBYOVILWSIIU-ZFWWWQNUSA-N 2 0 325.478 1.415 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)n1 ZINC000520426256 305779600 /nfs/dbraw/zinc/77/96/00/305779600.db2.gz CIKBQTJPJNDEDI-UHFFFAOYSA-N 2 0 347.438 1.575 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnc2ccc(F)cc2c1 ZINC000534064813 306003348 /nfs/dbraw/zinc/00/33/48/306003348.db2.gz DQUAEMZSHQUMSP-UHFFFAOYSA-N 2 0 332.423 1.939 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cccc(OCC(F)F)n1 ZINC000534087240 306003588 /nfs/dbraw/zinc/00/35/88/306003588.db2.gz FFKNQVOGJZMWFN-UHFFFAOYSA-N 2 0 344.406 1.291 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000535264135 306012320 /nfs/dbraw/zinc/01/23/20/306012320.db2.gz IWMZTXFAYSKGHT-UHFFFAOYSA-N 2 0 339.443 1.652 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H]1C[C@H](O)C[NH+]1Cc1ccccc1 ZINC000536353667 306020190 /nfs/dbraw/zinc/02/01/90/306020190.db2.gz IYJSQMHHOFPHKN-KURKYZTESA-N 2 0 346.475 1.015 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1)[C@@H]1CCSC1 ZINC000536543186 306022110 /nfs/dbraw/zinc/02/21/10/306022110.db2.gz WGPGCGUKIJOTRG-OAGGEKHMSA-N 2 0 341.521 1.183 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)c1ccc(OCC[NH+](C)C)cc1 ZINC000539044352 306034096 /nfs/dbraw/zinc/03/40/96/306034096.db2.gz KXBXUWPMTRKDPX-UONOGXRCSA-N 2 0 328.478 1.711 20 0 EDADRP C[C@H](N[C@H]1CCCN(Cc2nccn2C)C1=O)c1ccncc1F ZINC000550918205 306155018 /nfs/dbraw/zinc/15/50/18/306155018.db2.gz ZCSGFVIZWWELDT-WFASDCNBSA-N 2 0 331.395 1.796 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000553463384 306185248 /nfs/dbraw/zinc/18/52/48/306185248.db2.gz WJCLJRNOHMDHQL-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP Cn1cnc(CCNC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)c1 ZINC000556749517 306215417 /nfs/dbraw/zinc/21/54/17/306215417.db2.gz VHUCSTJMBLBNJB-UHFFFAOYSA-N 2 0 341.459 1.361 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@]1(O)C[NH+]2CCC1CC2)c1ccccc1 ZINC000556849984 306219869 /nfs/dbraw/zinc/21/98/69/306219869.db2.gz NJAVOKIIUUZQEQ-ICSRJNTNSA-N 2 0 345.487 1.642 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000557135836 306224949 /nfs/dbraw/zinc/22/49/49/306224949.db2.gz SVUXCCGKBKTFGC-NCXUSEDFSA-N 2 0 342.487 1.948 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)cc1 ZINC000414951718 447371171 /nfs/dbraw/zinc/37/11/71/447371171.db2.gz HBQMZCWJCILEJR-MKBNYLNASA-N 2 0 330.432 1.244 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](C)CC[C@H]1C)CCC(F)(F)F ZINC000426000626 447375561 /nfs/dbraw/zinc/37/55/61/447375561.db2.gz HWJAWZSMWCYWNI-CYBMUJFWSA-N 2 0 338.418 1.996 20 0 EDADRP FC(F)(F)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)N1CC[NH2+]CC1 ZINC000414977385 447381747 /nfs/dbraw/zinc/38/17/47/447381747.db2.gz RLDFMIKPVKKXGK-BARDWOONSA-N 2 0 334.430 1.333 20 0 EDADRP COCC1(C[NH2+]Cc2ccc(Br)cn2)CC[NH2+]CC1 ZINC000414981279 447383823 /nfs/dbraw/zinc/38/38/23/447383823.db2.gz WXMUACDJIYZMME-UHFFFAOYSA-N 2 0 328.254 1.950 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000458529490 447402264 /nfs/dbraw/zinc/40/22/64/447402264.db2.gz XZINQBAKGMBNSW-GDBMZVCRSA-N 2 0 328.526 1.549 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000422234651 447415185 /nfs/dbraw/zinc/41/51/85/447415185.db2.gz DWRINTCTNNZYDV-UHFFFAOYSA-N 2 0 340.512 1.394 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000419794126 447416099 /nfs/dbraw/zinc/41/60/99/447416099.db2.gz DSXOPEAIWHRMLQ-OAHLLOKOSA-N 2 0 348.491 1.558 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@H](C[NH3+])CC(C)C)cc1 ZINC000415426440 447427702 /nfs/dbraw/zinc/42/77/02/447427702.db2.gz LTOAUUJRMQXKMT-KRWDZBQOSA-N 2 0 348.491 1.957 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000045410529 440982638 /nfs/dbraw/zinc/98/26/38/440982638.db2.gz MFACKIPPQATMCI-UHFFFAOYSA-N 2 0 329.448 1.540 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CCC[C@H]([NH+](C)C)C1)Cc1ccccc1 ZINC000105082506 441230849 /nfs/dbraw/zinc/23/08/49/441230849.db2.gz KEAAAEAPYMEDKQ-ROUUACIJSA-N 2 0 332.492 1.895 20 0 EDADRP CC[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1CCOCC1 ZINC000080734871 441193038 /nfs/dbraw/zinc/19/30/38/441193038.db2.gz LFHJEEHBOXJTOB-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000105186074 441241072 /nfs/dbraw/zinc/24/10/72/441241072.db2.gz UVZLCPBEAXMYPY-IXDOHACOSA-N 2 0 342.528 1.572 20 0 EDADRP C[NH+](C)C(C)(C)CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000072812460 441261717 /nfs/dbraw/zinc/26/17/17/441261717.db2.gz VOYZVLZDPATYIF-UHFFFAOYSA-N 2 0 332.492 1.655 20 0 EDADRP CC(C)[NH+](CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1)C(C)C ZINC000106516323 441348021 /nfs/dbraw/zinc/34/80/21/441348021.db2.gz DVAWVJDJPRAZSW-MRXNPFEDSA-N 2 0 327.517 1.040 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000106516252 441348108 /nfs/dbraw/zinc/34/81/08/441348108.db2.gz KURUEURLNKOYFT-FUHWJXTLSA-N 2 0 347.507 1.224 20 0 EDADRP Cc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+](C)C)C2)c(C[NH+](C)C)c1 ZINC000074677780 441455936 /nfs/dbraw/zinc/45/59/36/441455936.db2.gz RCYDGPGUIGIQKR-INIZCTEOSA-N 2 0 346.475 1.405 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@@H](C[NH+]3CCCCC3)C2)CC1 ZINC000075836307 441557851 /nfs/dbraw/zinc/55/78/51/441557851.db2.gz UZBQXWPTAMTABB-KRWDZBQOSA-N 2 0 336.524 1.395 20 0 EDADRP CC1CC[NH+](CC(=O)NC[C@@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000089961711 441605219 /nfs/dbraw/zinc/60/52/19/441605219.db2.gz XPWAVGKAMKTGGR-OALUTQOASA-N 2 0 345.487 1.470 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000121784810 441780473 /nfs/dbraw/zinc/78/04/73/441780473.db2.gz OZUZCURTEXFYSD-VQIMIIECSA-N 2 0 344.503 1.776 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1cccn(C)c1=O ZINC000173536793 441783570 /nfs/dbraw/zinc/78/35/70/441783570.db2.gz PGINQVMBRGAYAE-OAHLLOKOSA-N 2 0 349.479 1.265 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCc1ccc2c(c1)CCO2 ZINC000077829815 441873458 /nfs/dbraw/zinc/87/34/58/441873458.db2.gz VARGYEABMXKNFH-UHFFFAOYSA-N 2 0 348.491 1.299 20 0 EDADRP CN(c1ccccc1C[N@H+](CCO)CCCO)C1CC[NH+](C)CC1 ZINC000093324024 441877112 /nfs/dbraw/zinc/87/71/12/441877112.db2.gz NATGBFSANGWFBC-UHFFFAOYSA-N 2 0 335.492 1.394 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000174500799 441930801 /nfs/dbraw/zinc/93/08/01/441930801.db2.gz ANEIHVSWTWXCHR-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP C[C@@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)CS(C)(=O)=O ZINC000119540604 441939927 /nfs/dbraw/zinc/93/99/27/441939927.db2.gz RYSUKAIEBMIQHV-HNNXBMFYSA-N 2 0 332.510 1.244 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1ccsc1 ZINC000124785302 441952809 /nfs/dbraw/zinc/95/28/09/441952809.db2.gz LNAPRKMADFGXAH-UHFFFAOYSA-N 2 0 340.493 1.419 20 0 EDADRP CC[C@@H](C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1)[NH+](C)C ZINC000124811661 441955155 /nfs/dbraw/zinc/95/51/55/441955155.db2.gz AVFRBDUPWCHQHN-IBGZPJMESA-N 2 0 346.519 1.781 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000151114093 442008917 /nfs/dbraw/zinc/00/89/17/442008917.db2.gz DMYVVJNTKSHEOS-UHFFFAOYSA-N 2 0 328.501 1.203 20 0 EDADRP Cc1cnc([C@@H](C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000079082229 442018435 /nfs/dbraw/zinc/01/84/35/442018435.db2.gz WWAMFNUCPNSKBV-CYBMUJFWSA-N 2 0 327.498 1.647 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000079208802 442029270 /nfs/dbraw/zinc/02/92/70/442029270.db2.gz OTWNYYVFVNIUPZ-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP CSc1nsc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)n1 ZINC000120250162 442036004 /nfs/dbraw/zinc/03/60/04/442036004.db2.gz RWVBIZOBURGXPT-UHFFFAOYSA-N 2 0 332.499 1.217 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000162193157 442073026 /nfs/dbraw/zinc/07/30/26/442073026.db2.gz QMOASQFKPWXXCR-UHFFFAOYSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000120678127 442115767 /nfs/dbraw/zinc/11/57/67/442115767.db2.gz UYVHDUQMFSFLBE-BBWFWOEESA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000176137020 442181978 /nfs/dbraw/zinc/18/19/78/442181978.db2.gz ZQNHLTWJRWNWAJ-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP Cc1cccc(C)c1NC(=O)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000163822570 442183894 /nfs/dbraw/zinc/18/38/94/442183894.db2.gz AEZWDYPTLYZEIH-UHFFFAOYSA-N 2 0 334.464 1.194 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[N@@H+]1C ZINC000127427933 442201487 /nfs/dbraw/zinc/20/14/87/442201487.db2.gz SVAOZBUEILMTCL-WBVHZDCISA-N 2 0 345.491 1.388 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CCC[NH2+]C3)ccc2oc1=O ZINC000166616340 442217696 /nfs/dbraw/zinc/21/76/96/442217696.db2.gz CJWHGQDKWPUUCM-GFCCVEGCSA-N 2 0 332.404 1.094 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000153104593 442262040 /nfs/dbraw/zinc/26/20/40/442262040.db2.gz LCTNXZPDKIFGCQ-KEYYUXOJSA-N 2 0 340.489 1.787 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000153506495 442286655 /nfs/dbraw/zinc/28/66/55/442286655.db2.gz ZWZKJIXJFJCULD-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000128268868 442256859 /nfs/dbraw/zinc/25/68/59/442256859.db2.gz OJJPTQQDCQFRFT-UHFFFAOYSA-N 2 0 336.446 1.630 20 0 EDADRP CC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000130619495 442351465 /nfs/dbraw/zinc/35/14/65/442351465.db2.gz GXSSPHAOCFWHQG-DLBZAZTESA-N 2 0 345.491 1.180 20 0 EDADRP C[C@@H](CNC(=O)c1ccnc(OCC[NH+](C)C)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000154932554 442365803 /nfs/dbraw/zinc/36/58/03/442365803.db2.gz HOMXSTQJRRNEAI-CVEARBPZSA-N 2 0 348.491 1.872 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000171687145 442369992 /nfs/dbraw/zinc/36/99/92/442369992.db2.gz NFOLNSJRUUJUIY-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@]1(O)CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000177969302 442398557 /nfs/dbraw/zinc/39/85/57/442398557.db2.gz LLVMPPFZUZZLRD-LJQANCHMSA-N 2 0 331.460 1.355 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@@H](C)N1CCSCC1)N1CCOCC1 ZINC000130868125 442358183 /nfs/dbraw/zinc/35/81/83/442358183.db2.gz YYCOMPXQDIQRNJ-HZPDHXFCSA-N 2 0 343.537 1.287 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)C1 ZINC000154852217 442360190 /nfs/dbraw/zinc/36/01/90/442360190.db2.gz NMTDJWIXQYCRMP-QUCCMNQESA-N 2 0 345.487 1.878 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000178837332 442499620 /nfs/dbraw/zinc/49/96/20/442499620.db2.gz WLRIGVHOQKSPBG-HNNXBMFYSA-N 2 0 343.537 1.466 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000156795305 442521312 /nfs/dbraw/zinc/52/13/12/442521312.db2.gz QKJXALWBDCTNIW-OAHLLOKOSA-N 2 0 343.537 1.383 20 0 EDADRP C[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)[NH+]1CCc2ccccc2C1 ZINC000135517262 442605983 /nfs/dbraw/zinc/60/59/83/442605983.db2.gz VRCBDWVUOJZKIB-MAUKXSAKSA-N 2 0 347.528 1.987 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3ccccc3NC2=O)CC1 ZINC000192003407 442562036 /nfs/dbraw/zinc/56/20/36/442562036.db2.gz SUOWNQZEWDRLLO-HNAYVOBHSA-N 2 0 345.487 1.965 20 0 EDADRP C[N@H+](CCCS(N)(=O)=O)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179393627 442639984 /nfs/dbraw/zinc/63/99/84/442639984.db2.gz DCQBEUKXTPRWKA-UHFFFAOYSA-N 2 0 340.493 1.299 20 0 EDADRP CC[C@H](CO)N1CCN(C(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000179409472 442643955 /nfs/dbraw/zinc/64/39/55/442643955.db2.gz QPAMEIABCRKSAB-RTBURBONSA-N 2 0 347.503 1.985 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3[nH]nc4c3C[NH2+]CC4)C2)CC1 ZINC000188747039 442802095 /nfs/dbraw/zinc/80/20/95/442802095.db2.gz PERSWGNIHDIAQK-OAHLLOKOSA-N 2 0 345.491 1.640 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000193591296 442757520 /nfs/dbraw/zinc/75/75/20/442757520.db2.gz ICRUQNUNVTWKHN-AEFFLSMTSA-N 2 0 330.476 1.455 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182364577 442760531 /nfs/dbraw/zinc/76/05/31/442760531.db2.gz IKDGIUCISHMUQO-WOJBJXKFSA-N 2 0 331.504 1.692 20 0 EDADRP Cn1nccc1[C@H]1c2[nH]cnc2CCN1CCC[NH+]1CCCCC1 ZINC000625499966 450395733 /nfs/dbraw/zinc/39/57/33/450395733.db2.gz OPCIFWYKRZLRGI-SFHVURJKSA-N 2 0 328.464 1.967 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC[NH+](C)CCCOC)[C@@H](C)C1 ZINC000246464655 442783241 /nfs/dbraw/zinc/78/32/41/442783241.db2.gz PODCVGNMBZEXGP-JKSUJKDBSA-N 2 0 328.501 1.326 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)CC1 ZINC000188796178 442815257 /nfs/dbraw/zinc/81/52/57/442815257.db2.gz KDKHOAHKPMGHGG-DOTOQJQBSA-N 2 0 334.439 1.463 20 0 EDADRP C[NH+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000268098576 442847163 /nfs/dbraw/zinc/84/71/63/442847163.db2.gz HQRSFCPCAVPQKE-QGZVFWFLSA-N 2 0 345.491 1.146 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+](C)Cc1ccccc1 ZINC000268148202 442870665 /nfs/dbraw/zinc/87/06/65/442870665.db2.gz UDWOFVGFYQJGGZ-CRAIPNDOSA-N 2 0 330.476 1.900 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000248602881 442905812 /nfs/dbraw/zinc/90/58/12/442905812.db2.gz JIQGAUQCFGUJNO-YESZJQIVSA-N 2 0 340.512 1.347 20 0 EDADRP COC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)C1CCOCC1 ZINC000188286320 318559189 /nfs/dbraw/zinc/55/91/89/318559189.db2.gz LRMPOIAGVABNKK-KRWDZBQOSA-N 2 0 337.464 1.553 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192540863 318578311 /nfs/dbraw/zinc/57/83/11/318578311.db2.gz LFRHVHZGAPQFNQ-CYBMUJFWSA-N 2 0 334.489 1.326 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195137243 442988569 /nfs/dbraw/zinc/98/85/69/442988569.db2.gz KAYIFCUCSOTXLH-GOSISDBHSA-N 2 0 348.491 1.699 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000184074581 442989336 /nfs/dbraw/zinc/98/93/36/442989336.db2.gz QWQWSYNYMAGWEP-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@H]1C ZINC000249091238 442950567 /nfs/dbraw/zinc/95/05/67/442950567.db2.gz GYIVYVFSIPLQTA-LSDHHAIUSA-N 2 0 328.501 1.203 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCCCCC2)C[C@@H]1C ZINC000251547307 443015396 /nfs/dbraw/zinc/01/53/96/443015396.db2.gz GZPJYAYSPAVXMV-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000252348598 443022340 /nfs/dbraw/zinc/02/23/40/443022340.db2.gz CUPYJADLOFPAFK-ZWKOTPCHSA-N 2 0 332.492 1.800 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](CC(C)(C)O)C1CC1)c1ccccc1 ZINC000189904461 443026776 /nfs/dbraw/zinc/02/67/76/443026776.db2.gz KWCQWBOEJISETJ-KRWDZBQOSA-N 2 0 333.476 1.641 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)CC[NH+]3CCN(c4ccccc4)CC3)C[C@@H]12 ZINC000185028542 443121504 /nfs/dbraw/zinc/12/15/04/443121504.db2.gz DOYIFIUMSHGQJM-QXAKKESOSA-N 2 0 342.487 1.394 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)CC[C@H]2CC[NH2+]C2)CC1 ZINC000261863075 443172665 /nfs/dbraw/zinc/17/26/65/443172665.db2.gz PWHKOVPJLUOOPQ-KSZLIROESA-N 2 0 336.524 1.393 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000185329048 443183638 /nfs/dbraw/zinc/18/36/38/443183638.db2.gz TZVHNTROSLGHNO-MRXNPFEDSA-N 2 0 341.544 1.432 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237986495 443191092 /nfs/dbraw/zinc/19/10/92/443191092.db2.gz POILFJIVWNZDJY-HKUYNNGSSA-N 2 0 344.503 1.832 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)Cc1ccccc1 ZINC000269223676 443238341 /nfs/dbraw/zinc/23/83/41/443238341.db2.gz BGULYBYSPCZDPU-RTBURBONSA-N 2 0 347.503 1.824 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000266808372 443250327 /nfs/dbraw/zinc/25/03/27/443250327.db2.gz FHLKHYMEDVLKFV-RTBURBONSA-N 2 0 344.503 1.403 20 0 EDADRP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000387007856 319130607 /nfs/dbraw/zinc/13/06/07/319130607.db2.gz IURHBQYKVXAXIU-CYBMUJFWSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@H](C[C@H]1COCCN1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397590109 319136080 /nfs/dbraw/zinc/13/60/80/319136080.db2.gz LVZJNQMPAOSOIU-MJGOQNOKSA-N 2 0 347.503 1.370 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C(C)C)[C@@H](CO)C(C)C)CC1 ZINC000411783168 319203472 /nfs/dbraw/zinc/20/34/72/319203472.db2.gz FKLMSGXPQYILFV-FUHWJXTLSA-N 2 0 327.513 1.466 20 0 EDADRP C[C@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000266815029 443253692 /nfs/dbraw/zinc/25/36/92/443253692.db2.gz DOYVNMABKQVSGD-MRXNPFEDSA-N 2 0 333.476 1.470 20 0 EDADRP Cc1cncc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414194108 319319179 /nfs/dbraw/zinc/31/91/79/319319179.db2.gz NGDLOGXFSMSCKT-QGZVFWFLSA-N 2 0 332.492 1.837 20 0 EDADRP CC[C@@H](C[NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)Oc1ccccc1C ZINC000415082328 319345687 /nfs/dbraw/zinc/34/56/87/319345687.db2.gz OEYWYCKJRIRUFM-IRXDYDNUSA-N 2 0 333.476 1.939 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@H+](CC)CC1 ZINC000415088148 319346541 /nfs/dbraw/zinc/34/65/41/319346541.db2.gz XCIZNGWAACNUFY-UHFFFAOYSA-N 2 0 332.448 1.289 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000415234293 319354763 /nfs/dbraw/zinc/35/47/63/319354763.db2.gz XUHQOHPOTFQNGX-KBPBESRZSA-N 2 0 334.464 1.881 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415304023 319360476 /nfs/dbraw/zinc/36/04/76/319360476.db2.gz GRZVHBOZFSGDFI-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000415822620 319374170 /nfs/dbraw/zinc/37/41/70/319374170.db2.gz MROBEJQBCQSMPT-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP [NH3+]CC[C@H](NC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C(F)(F)F ZINC000416002576 319389364 /nfs/dbraw/zinc/38/93/64/319389364.db2.gz FDWGNGQERLVPJA-XBFCOCLRSA-N 2 0 348.413 1.924 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000185813472 443262964 /nfs/dbraw/zinc/26/29/64/443262964.db2.gz YJCPWEJPHXENHB-SJORKVTESA-N 2 0 341.544 1.288 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@@H]([NH+](C)C)C3)CC2)c1 ZINC000266853810 443267908 /nfs/dbraw/zinc/26/79/08/443267908.db2.gz RZWUSDZYWQKLCM-LJQANCHMSA-N 2 0 344.503 1.670 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC2([NH+](C)C)CCCCC2)[C@@H](C[NH3+])C1 ZINC000416810993 319462233 /nfs/dbraw/zinc/46/22/33/319462233.db2.gz CEHKKRQLCRWFQD-HUUCEWRRSA-N 2 0 326.485 1.399 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000416827903 319464569 /nfs/dbraw/zinc/46/45/69/319464569.db2.gz DGWPCZXZUABRIP-QZTJIDSGSA-N 2 0 332.492 1.991 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000418929787 319535118 /nfs/dbraw/zinc/53/51/18/319535118.db2.gz AHGKUYGAYLWPQR-HOTGVXAUSA-N 2 0 338.496 1.016 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)NCC1([NH3+])CCCCCC1 ZINC000418951597 319537213 /nfs/dbraw/zinc/53/72/13/319537213.db2.gz UOZTWUYIMRCAIK-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000272623102 443386095 /nfs/dbraw/zinc/38/60/95/443386095.db2.gz YMIXWNHDSYOOBU-XUVXKRRUSA-N 3 0 343.515 1.943 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267232093 443386610 /nfs/dbraw/zinc/38/66/10/443386610.db2.gz PNVRFKVSTKDBAX-UHFFFAOYSA-N 2 0 333.476 1.600 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419126008 319558864 /nfs/dbraw/zinc/55/88/64/319558864.db2.gz VDWMSWIECHUSDV-DOTOQJQBSA-N 2 0 346.475 1.183 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422932024 319739036 /nfs/dbraw/zinc/73/90/36/319739036.db2.gz YLVRNWQRBSLLGE-ZDUSSCGKSA-N 2 0 328.840 1.997 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422946517 319739930 /nfs/dbraw/zinc/73/99/30/319739930.db2.gz OZPSBVUSWWIWGN-UKRRQHHQSA-N 2 0 343.493 1.341 20 0 EDADRP CC(C)C[C@H](N[C@@H]1C[C@@H]([NH3+])c2ccccc21)C(=O)NCC[NH+](C)C ZINC000423023861 319746975 /nfs/dbraw/zinc/74/69/75/319746975.db2.gz IHGLXEPAOQXVIW-KURKYZTESA-N 2 0 332.492 1.813 20 0 EDADRP CC[NH+](CC)CCOCC[N@H+](CCC(=O)NC)Cc1ccccc1 ZINC000273098788 443538519 /nfs/dbraw/zinc/53/85/19/443538519.db2.gz VEJWWVAOPRJQQX-UHFFFAOYSA-N 2 0 335.492 1.983 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000423886701 319824849 /nfs/dbraw/zinc/82/48/49/319824849.db2.gz UWZKRDAUHYOUPK-HIFRSBDPSA-N 2 0 325.453 1.038 20 0 EDADRP C[NH+](C)Cc1ccsc1C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000272279296 443577160 /nfs/dbraw/zinc/57/71/60/443577160.db2.gz DHMQWHRRUYBDMM-UHFFFAOYSA-N 2 0 325.478 1.338 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)C[C@H]3CCC[NH2+]CC3)ccn2)CC1 ZINC000427276788 319894944 /nfs/dbraw/zinc/89/49/44/319894944.db2.gz YCIJTBLSMXJERX-INIZCTEOSA-N 2 0 345.491 1.229 20 0 EDADRP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(=O)Nc2ccccc2F)CC1 ZINC000430928940 319935632 /nfs/dbraw/zinc/93/56/32/319935632.db2.gz VUZJELZSMKAVJB-LBPRGKRZSA-N 2 0 336.411 1.794 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC([NH+]2CCCCC2)CC1 ZINC000433377799 319978881 /nfs/dbraw/zinc/97/88/81/319978881.db2.gz NUPOFRRSJPWBOH-KRWDZBQOSA-N 2 0 345.491 1.898 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NC2CCC(C[NH+](C)C)CC2)C1 ZINC000440861348 320084328 /nfs/dbraw/zinc/08/43/28/320084328.db2.gz QNURMCWYODLRNU-UYSNPLJNSA-N 2 0 326.485 1.127 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000441345408 320093715 /nfs/dbraw/zinc/09/37/15/320093715.db2.gz GSDMBFUOOHTHST-KRWDZBQOSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1N1C[C@@H](C)[NH+](C)C[C@H]1C ZINC000443521854 320108308 /nfs/dbraw/zinc/10/83/08/320108308.db2.gz KMGJNNKYPNACOT-TWMKSMIVSA-N 2 0 346.523 1.843 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CC(=O)N(CC)C2)CC1 ZINC000449516504 320193329 /nfs/dbraw/zinc/19/33/29/320193329.db2.gz GMZXXPLLGOHPHK-GOSISDBHSA-N 2 0 344.503 1.929 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc3c2OCCO3)CC1 ZINC000449745702 320203801 /nfs/dbraw/zinc/20/38/01/320203801.db2.gz OGIWKJJVYAOVDL-UHFFFAOYSA-N 2 0 333.476 1.964 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(CC(O)CN2CC[NH+]([C@H](C)CC)CC2)CC1 ZINC000451841540 320239809 /nfs/dbraw/zinc/23/98/09/320239809.db2.gz LTWGENUQOQWIDC-QZTJIDSGSA-N 2 0 340.556 1.180 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000452157853 320245051 /nfs/dbraw/zinc/24/50/51/320245051.db2.gz YKEMKPBZIPPVJB-MJGOQNOKSA-N 2 0 337.508 1.724 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458127148 320336512 /nfs/dbraw/zinc/33/65/12/320336512.db2.gz IBRYGBCMSCYFAK-QGZVFWFLSA-N 2 0 340.512 1.254 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCCOCC[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000471647585 320353220 /nfs/dbraw/zinc/35/32/20/320353220.db2.gz QIDHYABNRJPBJA-QGZVFWFLSA-N 2 0 342.528 1.620 20 0 EDADRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc2c(c1)OCC(=O)N2 ZINC000286251191 443676510 /nfs/dbraw/zinc/67/65/10/443676510.db2.gz UKJNTCNARFBLJI-HOCLYGCPSA-N 2 0 347.459 1.905 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000520219155 320475730 /nfs/dbraw/zinc/47/57/30/320475730.db2.gz WVZAEKZXSDCZCK-MRXNPFEDSA-N 2 0 334.439 1.047 20 0 EDADRP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1cc(-n2ccnc2)ccn1 ZINC000288280147 443830353 /nfs/dbraw/zinc/83/03/53/443830353.db2.gz HGMQLJLAPXZUSH-GDBMZVCRSA-N 2 0 325.416 1.966 20 0 EDADRP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C(=O)NC(N)=O ZINC000298887216 443892433 /nfs/dbraw/zinc/89/24/33/443892433.db2.gz SJCXKNXBAVQTOP-UONOGXRCSA-N 2 0 332.448 1.734 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N1CCC[N@H+](C)CC1 ZINC000299466309 444053606 /nfs/dbraw/zinc/05/36/06/444053606.db2.gz ZMQSIFNFXZMGNM-UHFFFAOYSA-N 2 0 334.464 1.474 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000556860242 320995368 /nfs/dbraw/zinc/99/53/68/320995368.db2.gz ZCYWCSHGZAOLSP-OAHLLOKOSA-N 2 0 346.475 1.696 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)NC[C@@H]1CCCC[NH+]1CCO ZINC000562674417 321068832 /nfs/dbraw/zinc/06/88/32/321068832.db2.gz DJGCAKKMMMTORV-JKSUJKDBSA-N 2 0 340.512 1.253 20 0 EDADRP Cc1ccc2c(CC[NH2+]C[C@H](O)CN3CC[NH+](C)CC3)c[nH]c2c1 ZINC000562985628 321084938 /nfs/dbraw/zinc/08/49/38/321084938.db2.gz BUPLYCJBYAFKBX-KRWDZBQOSA-N 2 0 330.476 1.217 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000563075827 321093999 /nfs/dbraw/zinc/09/39/99/321093999.db2.gz ULJKEZMYAYQQSC-BRWVUGGUSA-N 2 0 325.497 1.493 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCc2ccc(C[NH3+])cc2)CCCO1 ZINC000563091804 321094864 /nfs/dbraw/zinc/09/48/64/321094864.db2.gz FFUVJSJOVDMABZ-HNNXBMFYSA-N 2 0 334.464 1.445 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]C2CCc3ccccc3CC2)C[C@H](C)O1 ZINC000564859973 321152384 /nfs/dbraw/zinc/15/23/84/321152384.db2.gz LJMPGLSXSUYOSG-YRNRMSPPSA-N 2 0 332.488 1.994 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000565038722 321165496 /nfs/dbraw/zinc/16/54/96/321165496.db2.gz VMGNIZRKMLLMLP-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)[C@H](C)c1nc2ccccc2s1 ZINC000566087965 321214182 /nfs/dbraw/zinc/21/41/82/321214182.db2.gz HZXGOUKPVBAXBK-STQMWFEESA-N 2 0 332.473 1.810 20 0 EDADRP CC(C)[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)c1nc2ccccc2[nH]1 ZINC000566106911 321215370 /nfs/dbraw/zinc/21/53/70/321215370.db2.gz BXYMQKDNTZSONU-YJBOKZPZSA-N 2 0 345.491 1.458 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CCCC[NH3+])[C@H](c2ccccc2)C1 ZINC000566165426 321220564 /nfs/dbraw/zinc/22/05/64/321220564.db2.gz PCQGZAUXBLTGKV-SFHVURJKSA-N 2 0 332.492 1.610 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)[C@@H](C)[NH3+] ZINC000566971859 321237577 /nfs/dbraw/zinc/23/75/77/321237577.db2.gz QSORGURVCISIEH-QAPCUYQASA-N 2 0 332.492 1.992 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3C[C@H](C[NH3+])C4(C3)CCOCC4)cc(=O)n2c1 ZINC000567894704 321266837 /nfs/dbraw/zinc/26/68/37/321266837.db2.gz PIGYPTDRNWMJFA-HNNXBMFYSA-N 2 0 342.443 1.190 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000568637217 321300441 /nfs/dbraw/zinc/30/04/41/321300441.db2.gz JYIXIILSYWEFPL-INIZCTEOSA-N 2 0 331.460 1.243 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCC2)cc1)N1CCOC2(C[NH2+]C2)C1 ZINC000570617757 321350221 /nfs/dbraw/zinc/35/02/21/321350221.db2.gz UEGJHOMRZCQNJN-UHFFFAOYSA-N 2 0 344.459 1.166 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[NH+]1CCCC1 ZINC000570665829 321352973 /nfs/dbraw/zinc/35/29/73/321352973.db2.gz YGHRRNPOMHZCOY-UIBIWLFHSA-N 2 0 344.459 1.349 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)C2)CC1 ZINC000571408250 321386369 /nfs/dbraw/zinc/38/63/69/321386369.db2.gz UDLKEBZABZRMSJ-AZUAARDMSA-N 2 0 344.503 1.487 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2Cc3ccccc3C2)CC1 ZINC000571487715 321388463 /nfs/dbraw/zinc/38/84/63/321388463.db2.gz DLVWNENVCBSXBV-LJQANCHMSA-N 2 0 327.472 1.640 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCn2cnc3ccccc32)C[C@H](C)O1 ZINC000571551835 321391450 /nfs/dbraw/zinc/39/14/50/321391450.db2.gz VWMOPKNXVBSRLJ-BBWFWOEESA-N 2 0 346.475 1.486 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000289778908 444202146 /nfs/dbraw/zinc/20/21/46/444202146.db2.gz IYHTVTSEMPHCQZ-SJORKVTESA-N 2 0 347.459 1.247 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000576815996 321598372 /nfs/dbraw/zinc/59/83/72/321598372.db2.gz FUVPDBMBTUQHEA-VQTJNVASSA-N 2 0 349.519 1.741 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000296505791 444234506 /nfs/dbraw/zinc/23/45/06/444234506.db2.gz RFJBHVNPCQVQJD-HNNXBMFYSA-N 2 0 330.476 1.191 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000303985077 444238857 /nfs/dbraw/zinc/23/88/57/444238857.db2.gz HZMPURPUEZEUJF-SJORKVTESA-N 2 0 340.512 1.253 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CO2 ZINC000297704499 444321299 /nfs/dbraw/zinc/32/12/99/444321299.db2.gz MNZUFOHQFCXYJH-SFHVURJKSA-N 2 0 347.503 1.862 20 0 EDADRP C[N@@H+](CCc1cn[nH]c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000297820795 444338558 /nfs/dbraw/zinc/33/85/58/444338558.db2.gz YXEPTGHDCKNPTQ-UHFFFAOYSA-N 2 0 327.476 1.702 20 0 EDADRP COc1ccc2c(c1)C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CO2 ZINC000297826139 444339236 /nfs/dbraw/zinc/33/92/36/444339236.db2.gz RONHANIVYVGZMX-SJORKVTESA-N 2 0 334.460 1.825 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000331027885 444365113 /nfs/dbraw/zinc/36/51/13/444365113.db2.gz WJBNNGPJOORIDL-OAGGEKHMSA-N 2 0 325.497 1.599 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000578445669 321775879 /nfs/dbraw/zinc/77/58/79/321775879.db2.gz NHHATWGRKJRETM-NUJGCVRESA-N 2 0 341.459 1.045 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000580307622 322034190 /nfs/dbraw/zinc/03/41/90/322034190.db2.gz YKXCDTSPUOMFSR-HUUCEWRRSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC[C@@H]3CCC[NH2+]3)cc2)CC1 ZINC000580540129 322063584 /nfs/dbraw/zinc/06/35/84/322063584.db2.gz JNPSXRFDTQHBLN-INIZCTEOSA-N 2 0 346.475 1.711 20 0 EDADRP COc1cccc([C@H](C)N2CCN(C(=O)NC3CC[NH2+]CC3)CC2)c1 ZINC000580704334 322084358 /nfs/dbraw/zinc/08/43/58/322084358.db2.gz MCGAUGDWWVAVSZ-HNNXBMFYSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000581321929 322164545 /nfs/dbraw/zinc/16/45/45/322164545.db2.gz CWKJCLCXSZKZCE-MRXNPFEDSA-N 2 0 340.512 1.646 20 0 EDADRP CC[C@H](C(=O)NC[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccccc1)[NH+](CC)CC ZINC000342202113 444562516 /nfs/dbraw/zinc/56/25/16/444562516.db2.gz HDGZQQZWVSPXDX-IPMKNSEASA-N 2 0 347.503 1.858 20 0 EDADRP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000343765731 444575484 /nfs/dbraw/zinc/57/54/84/444575484.db2.gz IUPGFDBPJMXSHL-QIPOYEBXSA-N 2 0 335.492 1.284 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000342158180 444540025 /nfs/dbraw/zinc/54/00/25/444540025.db2.gz GZOHABVHAVLKSR-QGZVFWFLSA-N 2 0 330.476 1.827 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000338300359 444618049 /nfs/dbraw/zinc/61/80/49/444618049.db2.gz GWOOLHNMGGJXBY-IAGOWNOFSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)CC[N@@H+]1C ZINC000341214343 444733011 /nfs/dbraw/zinc/73/30/11/444733011.db2.gz YSCBBYRKFKZJNY-PMPSAXMXSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000333902535 444713945 /nfs/dbraw/zinc/71/39/45/444713945.db2.gz BWJWKOVXWXDEPU-HUUCEWRRSA-N 2 0 326.485 1.175 20 0 EDADRP CC[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000343992692 444714896 /nfs/dbraw/zinc/71/48/96/444714896.db2.gz NGUYZQHXEMOXQG-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC[C@@]1(C)CCOC1 ZINC000341134425 444690676 /nfs/dbraw/zinc/69/06/76/444690676.db2.gz UKLOBUHWMNQTCW-SJLPKXTDSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)cc1F ZINC000342433913 444690795 /nfs/dbraw/zinc/69/07/95/444690795.db2.gz WLNLGBNXLZTJOF-OAHLLOKOSA-N 2 0 334.439 1.923 20 0 EDADRP COCCCn1nccc1CNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000338434399 444693292 /nfs/dbraw/zinc/69/32/92/444693292.db2.gz AZLNMIBIEYHRQI-ROUUACIJSA-N 2 0 336.480 1.387 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C1 ZINC000334095485 444778895 /nfs/dbraw/zinc/77/88/95/444778895.db2.gz RJBJQSTZAGPEFX-LSDHHAIUSA-N 2 0 338.496 1.100 20 0 EDADRP COC(=O)[C@@](C)(O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336789380 444795587 /nfs/dbraw/zinc/79/55/87/444795587.db2.gz JEDWTMOLTMQNHU-IBGZPJMESA-N 2 0 346.471 1.899 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCC2 ZINC000344138478 444802480 /nfs/dbraw/zinc/80/24/80/444802480.db2.gz NJPJCWFAIACFDA-ZWKOTPCHSA-N 2 0 339.524 1.314 20 0 EDADRP CC[NH+](CC)C[C@@H](C)NC(=O)NCC(C)(C)[NH+]1CCC(OC)CC1 ZINC000341432404 444827188 /nfs/dbraw/zinc/82/71/88/444827188.db2.gz LGVOLMHCDZIJTG-OAHLLOKOSA-N 2 0 342.528 1.905 20 0 EDADRP C[NH+](C)CCn1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)n1 ZINC000338746765 444834341 /nfs/dbraw/zinc/83/43/41/444834341.db2.gz RAEXILWGHUDRIC-UHFFFAOYSA-N 2 0 341.459 2.293 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000342766559 444855871 /nfs/dbraw/zinc/85/58/71/444855871.db2.gz VYSJULDYSBWYQO-GDBMZVCRSA-N 2 0 344.459 1.322 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341668056 444940522 /nfs/dbraw/zinc/94/05/22/444940522.db2.gz VGDSUUDCTFGGSR-DLBZAZTESA-N 2 0 325.497 1.581 20 0 EDADRP CS[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C[C@H]1N(C)C ZINC000337318964 445030766 /nfs/dbraw/zinc/03/07/66/445030766.db2.gz NJIMMOMJFQMAEF-SJORKVTESA-N 2 0 328.570 1.380 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C[C@H](O)Cc1ccc(F)cc1 ZINC000339044855 445006024 /nfs/dbraw/zinc/00/60/24/445006024.db2.gz OSZRTIQUTGHBIA-NCXUSEDFSA-N 2 0 336.451 1.913 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H](O)Cc2ccc(F)cc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000339060508 445013455 /nfs/dbraw/zinc/01/34/55/445013455.db2.gz ZJVYDJARBKOGKI-AHRSYUTCSA-N 2 0 349.494 1.687 20 0 EDADRP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1OC ZINC000337399973 445062953 /nfs/dbraw/zinc/06/29/53/445062953.db2.gz QUFHOSBSIZOSBJ-DOTOQJQBSA-N 2 0 336.476 1.990 20 0 EDADRP CC1CC[NH+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000337345424 445040756 /nfs/dbraw/zinc/04/07/56/445040756.db2.gz VAHBBOADHVRNEN-IAGOWNOFSA-N 2 0 340.512 1.517 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H](O)C[NH+]2CCCCC2)CCCCC1 ZINC000337347687 445041833 /nfs/dbraw/zinc/04/18/33/445041833.db2.gz XXVSRJXPDMZWJD-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP C[N@@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000339430338 445138252 /nfs/dbraw/zinc/13/82/52/445138252.db2.gz UUIIFKGNOBMUOZ-IBGZPJMESA-N 2 0 344.459 1.532 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000339223557 445098555 /nfs/dbraw/zinc/09/85/55/445098555.db2.gz BVHCEURSFVNIQO-HOTGVXAUSA-N 2 0 325.497 1.722 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000342020502 445127362 /nfs/dbraw/zinc/12/73/62/445127362.db2.gz OCTJNEOFNWEGKR-ZBFHGGJFSA-N 2 0 325.522 1.662 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000344686643 445127763 /nfs/dbraw/zinc/12/77/63/445127763.db2.gz BPWZYJQRAPOCRM-CABCVRRESA-N 2 0 326.485 1.221 20 0 EDADRP CN(CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1)c1ccccc1 ZINC000342111240 445177787 /nfs/dbraw/zinc/17/77/87/445177787.db2.gz UHQSKGDYGGMKHT-UHOSZYNNSA-N 2 0 344.503 1.688 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000337654924 445189780 /nfs/dbraw/zinc/18/97/80/445189780.db2.gz OFJCZWJQIVOWJT-KRWDZBQOSA-N 2 0 338.496 1.226 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCC[N@@H+]1C ZINC000345745554 445198207 /nfs/dbraw/zinc/19/82/07/445198207.db2.gz KYCAYURIKQVLEP-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CCC[N@@H+]1C ZINC000345745556 445198214 /nfs/dbraw/zinc/19/82/14/445198214.db2.gz KYCAYURIKQVLEP-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000343504564 445235408 /nfs/dbraw/zinc/23/54/08/445235408.db2.gz GDYCYBMOOUWYHL-UONOGXRCSA-N 2 0 339.823 1.093 20 0 EDADRP C[C@@H]1[C@@H]([NH+](C)CCO)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000347085554 445231289 /nfs/dbraw/zinc/23/12/89/445231289.db2.gz LYWQAYYWYUQRQQ-RYRKJORJSA-N 2 0 337.508 1.555 20 0 EDADRP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)C1 ZINC000343564086 445244837 /nfs/dbraw/zinc/24/48/37/445244837.db2.gz GXHGQLBYBYHIHS-AEFFLSMTSA-N 2 0 331.508 1.653 20 0 EDADRP CC[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347905637 445255678 /nfs/dbraw/zinc/25/56/78/445255678.db2.gz SDNGYQLGSBYCOQ-UXLLHSPISA-N 2 0 335.496 1.602 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CN1CCOCC1 ZINC000348324469 445256904 /nfs/dbraw/zinc/25/69/04/445256904.db2.gz XTSGQFRVXNOTKD-BZSNNMDCSA-N 2 0 327.513 1.170 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000348131113 445285412 /nfs/dbraw/zinc/28/54/12/445285412.db2.gz ZVIJPBQNVBTCDA-ARFHVFGLSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN([C@@H](C)C(=O)Nc2cccc(N3CCCC3=O)c2)C1 ZINC000351848426 445341858 /nfs/dbraw/zinc/34/18/58/445341858.db2.gz CSDGTCAAWHHPPK-KKUMJFAQSA-N 2 0 344.459 1.810 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)C1 ZINC000351854823 445344275 /nfs/dbraw/zinc/34/42/75/445344275.db2.gz RSXGWRGGCQEJBD-GHMZBOCLSA-N 2 0 338.839 1.437 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000348557920 445325345 /nfs/dbraw/zinc/32/53/45/445325345.db2.gz RKSCWEWDWRRQIG-KXBFYZLASA-N 2 0 341.459 1.871 20 0 EDADRP CCOC(=O)[C@](C)(O)CN1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000354849694 445423795 /nfs/dbraw/zinc/42/37/95/445423795.db2.gz LXHROSREXIPJHT-SJLPKXTDSA-N 2 0 326.481 1.744 20 0 EDADRP CC1CCN(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC1 ZINC000351999602 445428286 /nfs/dbraw/zinc/42/82/86/445428286.db2.gz KXWASMNASAOAPM-UHFFFAOYSA-N 2 0 348.557 1.169 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000354905120 445432738 /nfs/dbraw/zinc/43/27/38/445432738.db2.gz KEVDOGNINMBANP-RLCCDNCMSA-N 2 0 340.418 1.959 20 0 EDADRP CCOc1cccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)n1 ZINC000349035597 445482989 /nfs/dbraw/zinc/48/29/89/445482989.db2.gz KCGNRYGSEPDQCQ-UHFFFAOYSA-N 2 0 332.492 1.940 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@@H]2C1 ZINC000355371672 445456118 /nfs/dbraw/zinc/45/61/18/445456118.db2.gz RGCFBUMTNJOLAJ-SQNIBIBYSA-N 2 0 337.508 1.819 20 0 EDADRP CC[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@H](C(C)C)[NH+]3CCCCC3)[C@H]2C1 ZINC000355371669 445456515 /nfs/dbraw/zinc/45/65/15/445456515.db2.gz RGCFBUMTNJOLAJ-BZSNNMDCSA-N 2 0 337.508 1.819 20 0 EDADRP C[C@H](C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1)C1C[NH2+]C1 ZINC000357254788 445510298 /nfs/dbraw/zinc/51/02/98/445510298.db2.gz ZJMFVRIWNPBPLM-AWEZNQCLSA-N 2 0 331.460 1.115 20 0 EDADRP COCCOc1cccc(C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)c1 ZINC000362677448 445494275 /nfs/dbraw/zinc/49/42/75/445494275.db2.gz YJSRGMMHCZOTAD-KRWDZBQOSA-N 2 0 347.459 1.108 20 0 EDADRP C[N@H+](CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)C1CCCCC1 ZINC000362804334 445557366 /nfs/dbraw/zinc/55/73/66/445557366.db2.gz DPWIKJUAAOVIHE-INIZCTEOSA-N 2 0 333.480 1.802 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000360125034 445580835 /nfs/dbraw/zinc/58/08/35/445580835.db2.gz NFEFZGNRROJPRQ-JKSUJKDBSA-N 2 0 342.528 1.449 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000360125646 445581899 /nfs/dbraw/zinc/58/18/99/445581899.db2.gz QBMGPOYGBMPJEH-GJZGRUSLSA-N 2 0 328.501 1.202 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000360135422 445587747 /nfs/dbraw/zinc/58/77/47/445587747.db2.gz JHVSKJOFTVAKKC-HNNXBMFYSA-N 2 0 328.501 1.250 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000357320643 445546783 /nfs/dbraw/zinc/54/67/83/445546783.db2.gz ZEKQWXZBESWTLT-GPMSIDNRSA-N 2 0 344.503 1.550 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000353454043 445608880 /nfs/dbraw/zinc/60/88/80/445608880.db2.gz TYVBEVQFQQUIPO-JCGIZDLHSA-N 2 0 335.492 1.239 20 0 EDADRP COC(=O)c1csc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)c1 ZINC000353454873 445609571 /nfs/dbraw/zinc/60/95/71/445609571.db2.gz MYNDCJNDBREHPL-CYBMUJFWSA-N 2 0 325.478 1.823 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000360170789 445609820 /nfs/dbraw/zinc/60/98/20/445609820.db2.gz KWFHTAFKYDISQY-UHFFFAOYSA-N 2 0 340.512 1.214 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@H](O)CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358527385 445634629 /nfs/dbraw/zinc/63/46/29/445634629.db2.gz MSOMFLGLJACMKB-LNLFQRSKSA-N 2 0 341.540 1.510 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000353582557 445666036 /nfs/dbraw/zinc/66/60/36/445666036.db2.gz QUEHDEBWTZSACL-IBGZPJMESA-N 2 0 341.455 1.986 20 0 EDADRP COC(=O)[C@@H]1CCCN(CCCc2ccc(C)nc2)[C@H]1C(=O)OC ZINC000353645857 445691282 /nfs/dbraw/zinc/69/12/82/445691282.db2.gz CTCUSHLKOMYCSS-HZPDHXFCSA-N 2 0 334.416 1.749 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000349914568 445719857 /nfs/dbraw/zinc/71/98/57/445719857.db2.gz TVMHSEVHKJLVSO-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP COC1(C[C@@H](C)[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCC1 ZINC000353667308 445699776 /nfs/dbraw/zinc/69/97/76/445699776.db2.gz CHWPERITFPAOJA-MRXNPFEDSA-N 2 0 325.497 1.916 20 0 EDADRP COC[C@@H](Cc1ccccc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000353669869 445700294 /nfs/dbraw/zinc/70/02/94/445700294.db2.gz JSKBCMPGWDPAEM-LJQANCHMSA-N 2 0 347.503 1.826 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363081946 445670015 /nfs/dbraw/zinc/67/00/15/445670015.db2.gz VHLGRZDORSCPMY-DLBZAZTESA-N 2 0 335.492 1.765 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363081949 445670227 /nfs/dbraw/zinc/67/02/27/445670227.db2.gz VHLGRZDORSCPMY-SJORKVTESA-N 2 0 335.492 1.765 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000356199258 445671294 /nfs/dbraw/zinc/67/12/94/445671294.db2.gz ADJAUJKJAJAIPN-KRWDZBQOSA-N 2 0 338.496 1.225 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[N@H+](C)CCCCO)CC1 ZINC000349938151 445727175 /nfs/dbraw/zinc/72/71/75/445727175.db2.gz WFMQWZJBGLUHLX-UHFFFAOYSA-N 2 0 347.503 1.780 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000358727388 445745547 /nfs/dbraw/zinc/74/55/47/445745547.db2.gz RFZDZGKULXSVNG-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP CC(C)C[C@@H]([NH2+]C1CCN(CC(F)F)CC1)C(=O)NCC[NH+](C)C ZINC000361456357 445768473 /nfs/dbraw/zinc/76/84/73/445768473.db2.gz JQDZMDRQAFYBFO-OAHLLOKOSA-N 2 0 348.482 1.398 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)C(C)C ZINC000363473670 445818974 /nfs/dbraw/zinc/81/89/74/445818974.db2.gz DWBITWXVGVGYHE-IAGOWNOFSA-N 2 0 340.512 1.346 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000358884735 445831454 /nfs/dbraw/zinc/83/14/54/445831454.db2.gz HXUTXKLGVMRZIJ-SJORKVTESA-N 2 0 341.544 1.384 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)CC1 ZINC000361479091 445779812 /nfs/dbraw/zinc/77/98/12/445779812.db2.gz RATCTQGYLCXVDA-NZSAHSFTSA-N 2 0 348.535 1.392 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H](C)O1 ZINC000358855062 445812971 /nfs/dbraw/zinc/81/29/71/445812971.db2.gz LCRCQTKNDMELFP-CKEIUWERSA-N 2 0 337.439 1.484 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC(C[NH+]2CCOCC2)CC1)c1ccc(F)cc1 ZINC000358862934 445816880 /nfs/dbraw/zinc/81/68/80/445816880.db2.gz IJKGKCDKAROUOR-SFHVURJKSA-N 2 0 349.450 1.439 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@@H](C)C1 ZINC000353979490 445837941 /nfs/dbraw/zinc/83/79/41/445837941.db2.gz QZGQJNDXIRBFMV-XWDNEUNKSA-N 2 0 336.524 1.390 20 0 EDADRP Cn1cc([C@@H]2[C@H](CNC(=O)CC3CC[NH+](C)CC3)CCC[N@@H+]2C)cn1 ZINC000365971729 445935627 /nfs/dbraw/zinc/93/56/27/445935627.db2.gz JGMYNMDMTZAZIE-LPHOPBHVSA-N 2 0 347.507 1.651 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc(C[NH3+])cc3)C2)CC1 ZINC000364850233 445963367 /nfs/dbraw/zinc/96/33/67/445963367.db2.gz KAEZNLLGZQSUMN-SFHVURJKSA-N 2 0 330.476 1.386 20 0 EDADRP Cn1cc([C@@H]2[C@H](CNc3ncnc(N)c3Cl)CCC[N@@H+]2C)cn1 ZINC000365052844 445993323 /nfs/dbraw/zinc/99/33/23/445993323.db2.gz KLULZSZOLWZOMB-GWCFXTLKSA-N 2 0 335.843 1.941 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000582835225 325938136 /nfs/dbraw/zinc/93/81/36/325938136.db2.gz ZPVVVHUOCGAIGI-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](CCC3CC[NH2+]CC3)CC2)C1 ZINC000359214963 446044332 /nfs/dbraw/zinc/04/43/32/446044332.db2.gz HYZXDIHIDVDAOC-LJQANCHMSA-N 3 0 338.540 1.103 20 0 EDADRP Cc1c(C(=O)N2CCC3(CC[NH2+]CC3)CC2)nnn1C1CC[NH2+]CC1 ZINC000583260959 326037172 /nfs/dbraw/zinc/03/71/72/326037172.db2.gz CKJSWRHYBDQVBQ-UHFFFAOYSA-N 2 0 346.479 1.117 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn2c1OCCC2 ZINC000583825832 326147620 /nfs/dbraw/zinc/14/76/20/326147620.db2.gz GWUWVFBTIYLCIG-OAHLLOKOSA-N 2 0 349.479 1.154 20 0 EDADRP [NH3+][C@H]1CCO[C@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000583870937 326156746 /nfs/dbraw/zinc/15/67/46/326156746.db2.gz ASXYPQYBKQTKBY-RDJZCZTQSA-N 2 0 328.416 1.693 20 0 EDADRP CCCCOC[C@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000365310996 446139200 /nfs/dbraw/zinc/13/92/00/446139200.db2.gz VWGGFAGJNNWLNI-LJQANCHMSA-N 2 0 341.540 1.654 20 0 EDADRP CC[N@@H+]1CCc2c(cccc2NC(=O)C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000366359230 446172345 /nfs/dbraw/zinc/17/23/45/446172345.db2.gz CVJYWDYZZDFTFD-CQSZACIVSA-N 2 0 346.475 1.460 20 0 EDADRP OCCOC1(C[NH2+]C2CC[NH+](C3CCCC3)CC2)CCOCC1 ZINC000370180404 446188820 /nfs/dbraw/zinc/18/88/20/446188820.db2.gz CHEFEAPBJSOERJ-UHFFFAOYSA-N 2 0 326.481 1.541 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000366324282 446150269 /nfs/dbraw/zinc/15/02/69/446150269.db2.gz ALFURUBFBDIUQZ-MRXNPFEDSA-N 2 0 346.475 1.207 20 0 EDADRP C[NH2+]CC1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)CC1 ZINC000366329236 446156365 /nfs/dbraw/zinc/15/63/65/446156365.db2.gz XVVTZHYCEIXMIN-UHFFFAOYSA-N 2 0 333.480 1.441 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000370228543 446193904 /nfs/dbraw/zinc/19/39/04/446193904.db2.gz SOHHBSDPCSLJOV-HZPDHXFCSA-N 2 0 348.495 1.925 20 0 EDADRP CN1CCN(C(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC1 ZINC000370288072 446215357 /nfs/dbraw/zinc/21/53/57/446215357.db2.gz LKDWSYSDUFFNIF-GOSISDBHSA-N 2 0 336.524 1.348 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCN2Cc2ccccn2)CC1 ZINC000370358935 446245467 /nfs/dbraw/zinc/24/54/67/446245467.db2.gz RWSMZVLRVREDJL-KRWDZBQOSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1noc(C2CCC([NH2+]C[C@H](C)CN3CC[NH+](C)CC3)CC2)n1 ZINC000366492982 446236310 /nfs/dbraw/zinc/23/63/10/446236310.db2.gz XHLVNEDYCGTNCM-OOHWJJMZSA-N 2 0 335.496 1.877 20 0 EDADRP CN(c1ccccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000359463221 446238632 /nfs/dbraw/zinc/23/86/32/446238632.db2.gz ZAEHIWJBYADHQA-ROUUACIJSA-N 2 0 328.504 1.868 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000370344390 446238746 /nfs/dbraw/zinc/23/87/46/446238746.db2.gz XBHRLZYRYASLCE-UHFFFAOYSA-N 2 0 334.464 1.037 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@@H](CO)C(C)C)CC1 ZINC000362182991 446250873 /nfs/dbraw/zinc/25/08/73/446250873.db2.gz RJCRZKJVHBBLSW-IBGZPJMESA-N 2 0 347.503 1.682 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](CO)C(C)C)CC1 ZINC000362182992 446250935 /nfs/dbraw/zinc/25/09/35/446250935.db2.gz RJCRZKJVHBBLSW-LJQANCHMSA-N 2 0 347.503 1.682 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc3nc[nH]c3n2)CCN1C1CC[NH+](C)CC1 ZINC000370373444 446251449 /nfs/dbraw/zinc/25/14/49/446251449.db2.gz DGRWFMYKJWLRSU-CYBMUJFWSA-N 2 0 342.447 1.198 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000365553424 446251611 /nfs/dbraw/zinc/25/16/11/446251611.db2.gz BFAPVNPEGORWIC-OAGGEKHMSA-N 2 0 338.496 1.269 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@@H](O)C1 ZINC000359607236 446316725 /nfs/dbraw/zinc/31/67/25/446316725.db2.gz DJSUMTBIXMIBHW-MOPGFXCFSA-N 2 0 345.487 1.744 20 0 EDADRP CC1CCC([NH+]2CCC(NC(=O)[C@@H]([NH3+])C3CCOCC3)CC2)CC1 ZINC000370582402 446342435 /nfs/dbraw/zinc/34/24/35/446342435.db2.gz FBEXQNRMLKXHKE-UYJHFMRCSA-N 2 0 337.508 1.900 20 0 EDADRP COC[C@@H](C)[NH2+]CC(=O)N1CCC[N@H+](Cc2ccc(C)cc2)CC1 ZINC000370589399 446345495 /nfs/dbraw/zinc/34/54/95/446345495.db2.gz PUJAWBNYVRZXCE-QGZVFWFLSA-N 2 0 333.476 1.654 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000365808891 446350606 /nfs/dbraw/zinc/35/06/06/446350606.db2.gz IORYHIIQWMVKTP-KRWDZBQOSA-N 2 0 342.528 1.861 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417502796 446355992 /nfs/dbraw/zinc/35/59/92/446355992.db2.gz KVBCSYYELRAMFM-WMZOPIPTSA-N 2 0 330.476 1.554 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417544437 446363627 /nfs/dbraw/zinc/36/36/27/446363627.db2.gz MTXXWVXDYZBBSW-AEFFLSMTSA-N 2 0 347.507 1.402 20 0 EDADRP C[C@H](CCCC[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000417906693 446382884 /nfs/dbraw/zinc/38/28/84/446382884.db2.gz FTYNHQWIXDEZBY-PVAVHDDUSA-N 2 0 340.512 1.571 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CCC[NH2+]1 ZINC000417918879 446385644 /nfs/dbraw/zinc/38/56/44/446385644.db2.gz PIQWXPADWGCHMT-WMZOPIPTSA-N 2 0 340.512 1.565 20 0 EDADRP Cc1cc(N2CCC([N@H+](C)C[C@H]3CNC(=O)O3)CC2)nc(C(C)C)n1 ZINC000366784644 446349508 /nfs/dbraw/zinc/34/95/08/446349508.db2.gz ZHBWWNCTVCBGSQ-OAHLLOKOSA-N 2 0 347.463 1.917 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000370770627 446428129 /nfs/dbraw/zinc/42/81/29/446428129.db2.gz DRIRCCFCGUJNJE-SEPJDSBXSA-N 2 0 349.519 1.913 20 0 EDADRP C[C@H]1[C@H]([NH2+]CCCN2CC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000423193529 446450194 /nfs/dbraw/zinc/45/01/94/446450194.db2.gz WTCSVMVMHKQTSM-AZUAARDMSA-N 2 0 330.520 1.924 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417982338 446407282 /nfs/dbraw/zinc/40/72/82/446407282.db2.gz AABYVMYMKLNHKW-NUJGCVRESA-N 2 0 330.476 1.900 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417985270 446408144 /nfs/dbraw/zinc/40/81/44/446408144.db2.gz HAWHVVNFWDFQTK-AFAVFJNCSA-N 2 0 332.448 1.619 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000417989594 446409304 /nfs/dbraw/zinc/40/93/04/446409304.db2.gz TYONWTKGYRRYST-RDJZCZTQSA-N 2 0 334.464 1.185 20 0 EDADRP Cc1cc(N2CCC[NH+](C)CC2)nc([C@@H](C)N2CCC[N@H+](C)CC2)n1 ZINC000411150643 446410600 /nfs/dbraw/zinc/41/06/00/446410600.db2.gz ATTDAHJCFCIARB-QGZVFWFLSA-N 2 0 346.523 1.625 20 0 EDADRP COC(=O)[C@@H]1CC[NH+](CCC(C)CC[N@H+]2CC[C@@H](C(=O)OC)C2)C1 ZINC000411181004 446419798 /nfs/dbraw/zinc/41/97/98/446419798.db2.gz OFEALWKCUPFSRB-HZPDHXFCSA-N 2 0 340.464 1.393 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418046004 446423842 /nfs/dbraw/zinc/42/38/42/446423842.db2.gz PSEQNGQZZUQNCB-LJQANCHMSA-N 2 0 348.491 1.576 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000370765925 446424068 /nfs/dbraw/zinc/42/40/68/446424068.db2.gz INFZJCAPORQWNP-JQHSSLGASA-N 2 0 332.492 1.465 20 0 EDADRP C[NH2+]C[C@@H]1CCN([C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C1 ZINC000420299235 446461300 /nfs/dbraw/zinc/46/13/00/446461300.db2.gz TXIUQBCGLMQYTG-SUMWQHHRSA-N 2 0 337.414 1.997 20 0 EDADRP O=C(CN1CC[NH+](CC[C@@H]2CCC[NH2+]C2)CC1)NCc1ccccc1 ZINC000420298528 446462370 /nfs/dbraw/zinc/46/23/70/446462370.db2.gz HOATXBLFNLYOCO-IBGZPJMESA-N 2 0 344.503 1.310 20 0 EDADRP Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)c1 ZINC000420301180 446463712 /nfs/dbraw/zinc/46/37/12/446463712.db2.gz LDHROOGDIPLPHS-QZTJIDSGSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H](Cn1cc(Br)ccc1=O)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423278790 446471518 /nfs/dbraw/zinc/47/15/18/446471518.db2.gz RODKNBGUQJPGSQ-STQMWFEESA-N 2 0 342.281 1.979 20 0 EDADRP CC[N@H+](Cc1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420314224 446478906 /nfs/dbraw/zinc/47/89/06/446478906.db2.gz QJYFTFFLUBTILR-MRXNPFEDSA-N 2 0 339.505 1.901 20 0 EDADRP C[C@@H](c1ccc(S(N)(=O)=O)cc1)[N@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420322255 446487067 /nfs/dbraw/zinc/48/70/67/446487067.db2.gz SHDJSZXFTVDAJU-UONOGXRCSA-N 2 0 325.478 1.717 20 0 EDADRP C[C@@H](CNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)[N@@H+]1CCCC[C@H]1C ZINC000423325994 446488916 /nfs/dbraw/zinc/48/89/16/446488916.db2.gz KINFLYGLNXPIAX-HLLBOEOZSA-N 2 0 333.480 1.800 20 0 EDADRP CC[C@@H]1CN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1C[C@H](C)O ZINC000420325940 446493681 /nfs/dbraw/zinc/49/36/81/446493681.db2.gz WWJUOBGZSWSYRD-RYQLBKOJSA-N 2 0 335.492 1.515 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418333815 446503366 /nfs/dbraw/zinc/50/33/66/446503366.db2.gz VPMAVHXNQSKDEK-GVDBMIGSSA-N 2 0 331.464 1.249 20 0 EDADRP CN(C)C(=O)[C@H](c1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338293 446508589 /nfs/dbraw/zinc/50/85/89/446508589.db2.gz XSCWLOVKGSPANT-SQNIBIBYSA-N 2 0 331.460 1.644 20 0 EDADRP C[C@@H]([NH3+])c1ccc(C(=O)NCC2CC[NH+](CCN(C)C)CC2)cc1 ZINC000423359119 446500321 /nfs/dbraw/zinc/50/03/21/446500321.db2.gz KHBIBNFKPXGDCH-OAHLLOKOSA-N 2 0 332.492 1.710 20 0 EDADRP COCc1ccc(CNC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000420331259 446500680 /nfs/dbraw/zinc/50/06/80/446500680.db2.gz DVPDGFLHWGZHBW-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cn1 ZINC000423516321 446558117 /nfs/dbraw/zinc/55/81/17/446558117.db2.gz WNWJAPMIWJJYIU-ZLPCBKJTSA-N 2 0 332.492 1.827 20 0 EDADRP O=C(NCC1C[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418480959 446559518 /nfs/dbraw/zinc/55/95/18/446559518.db2.gz CCAWHOZSRPLGBA-ROUUACIJSA-N 2 0 328.460 1.369 20 0 EDADRP C[C@H](C[NH3+])CNC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000418494799 446565139 /nfs/dbraw/zinc/56/51/39/446565139.db2.gz SVGLCKWXXQUUPO-NXHRZFHOSA-N 2 0 330.476 1.745 20 0 EDADRP C[C@H](CNC(=O)c1cn(CCCC[NH3+])nn1)[N@H+](C)Cc1ccccc1 ZINC000423407627 446522336 /nfs/dbraw/zinc/52/23/36/446522336.db2.gz MUSXMHDCZXTVAL-OAHLLOKOSA-N 2 0 344.463 1.267 20 0 EDADRP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347479 446523603 /nfs/dbraw/zinc/52/36/03/446523603.db2.gz GWABLBOKYAWVQF-MAUKXSAKSA-N 2 0 348.466 1.325 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000418387228 446524028 /nfs/dbraw/zinc/52/40/28/446524028.db2.gz QWFBANVAHXCUMZ-OKZBNKHCSA-N 2 0 328.460 1.512 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423419743 446526038 /nfs/dbraw/zinc/52/60/38/446526038.db2.gz JATDAHQIANVIAK-DLBZAZTESA-N 2 0 333.480 1.802 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418398164 446528074 /nfs/dbraw/zinc/52/80/74/446528074.db2.gz KGNYVQYGBPHZOD-ZWKOTPCHSA-N 2 0 345.491 1.815 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000423421546 446528793 /nfs/dbraw/zinc/52/87/93/446528793.db2.gz XXJUSPHFTKHEKD-HZPDHXFCSA-N 2 0 340.512 1.007 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000420352351 446531802 /nfs/dbraw/zinc/53/18/02/446531802.db2.gz MJPKJNRUZOYGDL-YOEHRIQHSA-N 2 0 348.516 1.595 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000418413694 446535800 /nfs/dbraw/zinc/53/58/00/446535800.db2.gz SHUIENUUPXILBS-BRWVUGGUSA-N 2 0 339.528 1.170 20 0 EDADRP C[C@H](C(=O)N(C)c1ccccc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000411426934 446536498 /nfs/dbraw/zinc/53/64/98/446536498.db2.gz NRNFGFKEPILCCE-QGZVFWFLSA-N 2 0 332.492 1.607 20 0 EDADRP CC(C)c1nc([C@H]2CCC[N@H+](CCC(=O)N3CC[NH2+]CC3)C2)no1 ZINC000420356617 446538237 /nfs/dbraw/zinc/53/82/37/446538237.db2.gz GPORXACYYKZKIX-AWEZNQCLSA-N 2 0 335.452 1.194 20 0 EDADRP COC(=O)c1ccc(N2CC[N@H+](CC[C@H]3CC[NH2+]C3)[C@@H](C)C2)cc1 ZINC000420357979 446538671 /nfs/dbraw/zinc/53/86/71/446538671.db2.gz IJXPECDPUCXDPA-JKSUJKDBSA-N 2 0 331.460 1.983 20 0 EDADRP COc1ccncc1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000376508447 446543422 /nfs/dbraw/zinc/54/34/22/446543422.db2.gz UKSRGPYWVRMTFU-UHFFFAOYSA-N 2 0 332.492 1.940 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Cn3cncn3)CC2)cc1 ZINC000420363630 446543411 /nfs/dbraw/zinc/54/34/11/446543411.db2.gz BRAMINIBQCATDG-QGZVFWFLSA-N 2 0 329.448 1.741 20 0 EDADRP c1nn(-c2ccccc2)cc1CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420366929 446546691 /nfs/dbraw/zinc/54/66/91/446546691.db2.gz VGTZEJORIWTBOV-SFHVURJKSA-N 2 0 339.487 1.990 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@H]1COCCN1C1CCCC1 ZINC000423462818 446547371 /nfs/dbraw/zinc/54/73/71/446547371.db2.gz PNTYSNHCDSTRLB-BWDFJHHZSA-N 2 0 335.492 1.652 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2[C@@H]2CNC(=O)C2)cc1 ZINC000420370580 446547745 /nfs/dbraw/zinc/54/77/45/446547745.db2.gz JPZKRHYOJMLUPI-JZXOWHBKSA-N 2 0 331.460 1.728 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC[N@@H+]1CCOC ZINC000418456593 446550141 /nfs/dbraw/zinc/55/01/41/446550141.db2.gz FXRQGFSCCUWFRR-CRAIPNDOSA-N 2 0 348.491 1.959 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000423472244 446550291 /nfs/dbraw/zinc/55/02/91/446550291.db2.gz NBTHQZXEYWETGO-OYSPMZIOSA-N 2 0 335.467 1.875 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)N[C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000418456196 446550270 /nfs/dbraw/zinc/55/02/70/446550270.db2.gz HNTVARYAEZNFRM-HOCLYGCPSA-N 2 0 326.485 1.256 20 0 EDADRP O=C(CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1)N1CC[NH2+]CC1 ZINC000420373145 446550367 /nfs/dbraw/zinc/55/03/67/446550367.db2.gz MCCDRQWMIBHNPJ-CQSZACIVSA-N 2 0 337.851 1.615 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000418601117 446610179 /nfs/dbraw/zinc/61/01/79/446610179.db2.gz LKOJVHXIMVLAIG-SZVBFZGTSA-N 2 0 346.475 1.063 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000423637247 446620156 /nfs/dbraw/zinc/62/01/56/446620156.db2.gz BZIXWRRXXMQVDI-YJBOKZPZSA-N 2 0 330.476 1.779 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000418615064 446617513 /nfs/dbraw/zinc/61/75/13/446617513.db2.gz FMNQLVYHJCJFCQ-LBPRGKRZSA-N 2 0 328.407 1.646 20 0 EDADRP C[NH2+]CCCN(C)[C@H](C)C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000420394319 446568819 /nfs/dbraw/zinc/56/88/19/446568819.db2.gz ZQPDGSIMUGIBGL-QGZVFWFLSA-N 2 0 346.519 1.697 20 0 EDADRP Cc1ccc(CC[N@@H+]2CC[C@@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000420405982 446580379 /nfs/dbraw/zinc/58/03/79/446580379.db2.gz QFRBQHOJRBAGMD-RTBURBONSA-N 2 0 342.487 1.758 20 0 EDADRP C[C@@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000420409789 446582489 /nfs/dbraw/zinc/58/24/89/446582489.db2.gz QWWYKMIPJRYMAX-OAHLLOKOSA-N 2 0 327.432 1.345 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000418548268 446589011 /nfs/dbraw/zinc/58/90/11/446589011.db2.gz ZEMTULRAJDOBFZ-BRWVUGGUSA-N 3 0 339.528 1.184 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000418555934 446592321 /nfs/dbraw/zinc/59/23/21/446592321.db2.gz OAEGKVZZAOQKQI-IAGOWNOFSA-N 2 0 348.491 1.780 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418556661 446593900 /nfs/dbraw/zinc/59/39/00/446593900.db2.gz PAYAHJFSKCCAMM-ZBFHGGJFSA-N 2 0 326.485 1.127 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@H](C)C[N@H+](C)C(C)C)ccc1C[NH+](C)C ZINC000411543141 446594154 /nfs/dbraw/zinc/59/41/54/446594154.db2.gz KDLMMKNOTGABTC-OAHLLOKOSA-N 2 0 348.491 1.840 20 0 EDADRP CC1CC[NH+](CC(=O)Nc2ccc(-c3nnc(C[NH3+])[n-]3)cc2)CC1 ZINC000423598412 446596497 /nfs/dbraw/zinc/59/64/97/446596497.db2.gz WHWYEULFAXPWHH-UHFFFAOYSA-N 2 0 328.420 1.601 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]C[C@H]3c3ccccc3)[C@H]2C1 ZINC000418686941 446648976 /nfs/dbraw/zinc/64/89/76/446648976.db2.gz QDVZYSNAKRMMMI-FJIDUMEYSA-N 2 0 328.460 1.478 20 0 EDADRP C[C@@H](NC(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1)[C@H](C)[NH3+] ZINC000418695331 446651322 /nfs/dbraw/zinc/65/13/22/446651322.db2.gz JIQFWYIKWQQBQQ-APIJFGDWSA-N 2 0 326.485 1.253 20 0 EDADRP O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423713433 446654679 /nfs/dbraw/zinc/65/46/79/446654679.db2.gz FHCOAQPEYKRFJP-SQNIBIBYSA-N 2 0 335.492 1.335 20 0 EDADRP O=C([C@@H]1COCCN1CC1CCC1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000423713431 446654765 /nfs/dbraw/zinc/65/47/65/446654765.db2.gz FHCOAQPEYKRFJP-KURKYZTESA-N 2 0 335.492 1.335 20 0 EDADRP COCC1(C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000423720131 446659466 /nfs/dbraw/zinc/65/94/66/446659466.db2.gz AAINDXFRMZUQBS-BBWFWOEESA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3CCCCCC[C@@H]3[NH3+])C2)CC1 ZINC000423734383 446668056 /nfs/dbraw/zinc/66/80/56/446668056.db2.gz AUXAMBHRVHOPDZ-SQNIBIBYSA-N 2 0 336.524 1.523 20 0 EDADRP CN1CCO[C@@H](CN(CC2CC2)C(=O)NCCC2=CC[NH2+]CC2)C1 ZINC000418637262 446626289 /nfs/dbraw/zinc/62/62/89/446626289.db2.gz JRSYXKNQJHPDPW-QGZVFWFLSA-N 2 0 336.480 1.048 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@]2(COC)CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000423822734 446711650 /nfs/dbraw/zinc/71/16/50/446711650.db2.gz JXSYLHJHTCKVHZ-UYAOXDASSA-N 2 0 345.487 1.736 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000418814528 446720473 /nfs/dbraw/zinc/72/04/73/446720473.db2.gz JTFSARZNHNSTPO-BEFAXECRSA-N 2 0 346.475 1.011 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C(=O)NC(N)=O ZINC000368234233 446727459 /nfs/dbraw/zinc/72/74/59/446727459.db2.gz JVCWHEQOOMVGNS-RKTXRCNFSA-N 2 0 344.459 1.460 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]C1 ZINC000371271665 446730750 /nfs/dbraw/zinc/73/07/50/446730750.db2.gz UEIQMEXIRCKNSB-APWZRJJASA-N 2 0 333.476 1.639 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000423751919 446682516 /nfs/dbraw/zinc/68/25/16/446682516.db2.gz ACKWKWPEYJEQSN-HOTGVXAUSA-N 2 0 339.867 1.828 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)C[C@@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423890149 446746679 /nfs/dbraw/zinc/74/66/79/446746679.db2.gz ABAMGOOZZDBSFB-NZSAHSFTSA-N 2 0 345.487 1.782 20 0 EDADRP CC[NH+]1CCC(NC(=O)C(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000418882907 446771749 /nfs/dbraw/zinc/77/17/49/446771749.db2.gz ZSGUDJCHEMLDAL-UHFFFAOYSA-N 2 0 338.496 1.016 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnn4ccccc34)C2)CC1 ZINC000371331296 446779982 /nfs/dbraw/zinc/77/99/82/446779982.db2.gz GMAJRNSMTSCWJZ-SFHVURJKSA-N 2 0 327.476 1.935 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCCCC[N@H+](C)C2CC2)C[C@H](C)O1 ZINC000454223473 446813108 /nfs/dbraw/zinc/81/31/08/446813108.db2.gz HGYQHXOXYKNZOR-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000368384604 446827441 /nfs/dbraw/zinc/82/74/41/446827441.db2.gz WUXWXVGTFYGQLA-DOTOQJQBSA-N 2 0 339.528 1.137 20 0 EDADRP Cc1nccn1CCCN1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000368383184 446827773 /nfs/dbraw/zinc/82/77/73/446827773.db2.gz NQHMYBMUFRVRON-UHFFFAOYSA-N 2 0 326.466 1.128 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000438886954 446802738 /nfs/dbraw/zinc/80/27/38/446802738.db2.gz YPAHNOGGYRPJNK-WBVHZDCISA-N 2 0 344.459 1.265 20 0 EDADRP CCN(CCCNC(=O)C(=O)N[C@H]1CC[C@H](C[NH3+])C1)c1ccccc1 ZINC000418994035 446852522 /nfs/dbraw/zinc/85/25/22/446852522.db2.gz AYIYBPJNZOECSO-HOTGVXAUSA-N 2 0 346.475 1.263 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)N1CCO[C@@H]3CCCC[C@@H]31)CC[NH2+]CC2 ZINC000424284601 446865325 /nfs/dbraw/zinc/86/53/25/446865325.db2.gz DHEAFWZWNVTYJS-IXDOHACOSA-N 2 0 335.492 1.620 20 0 EDADRP C[C@H]1C[N@H+](CCO)CCN1Cc1cccc(CN2CCOCC2)c1 ZINC000420959609 446930699 /nfs/dbraw/zinc/93/06/99/446930699.db2.gz FPQSMYYWCZWIPG-KRWDZBQOSA-N 2 0 333.476 1.017 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1)C(C)(C)C ZINC000419131222 446940397 /nfs/dbraw/zinc/94/03/97/446940397.db2.gz GLBUJQJFVCYVSY-CABCVRRESA-N 2 0 340.512 1.103 20 0 EDADRP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+]1CCCN(C2CC[NH+](CC)CC2)CC1 ZINC000420977354 446949076 /nfs/dbraw/zinc/94/90/76/446949076.db2.gz HVBMZNLQLMEFHL-IAGOWNOFSA-N 2 0 338.540 1.782 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CC[NH2+]C1 ZINC000372121851 447015576 /nfs/dbraw/zinc/01/55/76/447015576.db2.gz QOQQPVUHGGFSKS-FUHWJXTLSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C1(C2CC2)CCOCC1)c1ccccc1 ZINC000375700887 446986824 /nfs/dbraw/zinc/98/68/24/446986824.db2.gz KGRCEAWJNXCGAJ-GOSISDBHSA-N 2 0 345.487 1.954 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NC[C@H]2CCN(c3ccccc3)C2)C1 ZINC000443062342 447002399 /nfs/dbraw/zinc/00/23/99/447002399.db2.gz ULWDUGJNUPAQML-ZWKOTPCHSA-N 2 0 344.503 1.690 20 0 EDADRP C[C@H](C[NH3+])NC(=O)C(=O)NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000419191355 447002851 /nfs/dbraw/zinc/00/28/51/447002851.db2.gz OAGCPVQJRFYSRZ-HUUCEWRRSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@H](CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1)[NH+]1C[C@@H]2CC[C@@H](O)C[C@@H]2C1 ZINC000425527787 447213449 /nfs/dbraw/zinc/21/34/49/447213449.db2.gz NYOQYKTVFLDPGS-CNTDEZBTSA-N 2 0 336.520 1.951 20 0 EDADRP Cn1cc([C@@H]2C[C@H]2C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cn1 ZINC000368899711 447189379 /nfs/dbraw/zinc/18/93/79/447189379.db2.gz MTAHLKQTRTVQHI-DLBZAZTESA-N 2 0 335.496 1.256 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000413451806 447190236 /nfs/dbraw/zinc/19/02/36/447190236.db2.gz MUVDCVZKGUXMGJ-NJAFHUGGSA-N 2 0 330.476 1.900 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445870528 447199809 /nfs/dbraw/zinc/19/98/09/447199809.db2.gz BEDAMVCARAEMGT-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C[N@@H+]1CCO ZINC000419476362 447208287 /nfs/dbraw/zinc/20/82/87/447208287.db2.gz JKMCPTWKEPGXKY-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C)[NH+]1CCCC[C@H]1C ZINC000419430891 447170913 /nfs/dbraw/zinc/17/09/13/447170913.db2.gz WNBHEBLNXKCYAS-YYIAUSFCSA-N 2 0 340.512 1.346 20 0 EDADRP CC1CC[NH+](CCCNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000369028372 447274282 /nfs/dbraw/zinc/27/42/82/447274282.db2.gz QATMHYODUKGBQP-DLBZAZTESA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NC1CCC([NH3+])CC1 ZINC000419871481 447462954 /nfs/dbraw/zinc/46/29/54/447462954.db2.gz LACAXWYMNJFCEX-UHFFFAOYSA-N 2 0 340.512 1.199 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458813566 447481751 /nfs/dbraw/zinc/48/17/51/447481751.db2.gz MNRBNFXMZXMMAA-JKSUJKDBSA-N 2 0 328.501 1.253 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(C(=O)OCC)C2)[C@H](C)C1 ZINC000495382545 447500062 /nfs/dbraw/zinc/50/00/62/447500062.db2.gz QIJQEKYIAVMNNI-IKGGRYGDSA-N 2 0 341.496 1.944 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c1 ZINC000415949612 447528381 /nfs/dbraw/zinc/52/83/81/447528381.db2.gz ZVEKFHQCNXALSD-QZTJIDSGSA-N 2 0 346.475 1.905 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CCN(C/C=C/c3ccncc3)CC2)C1 ZINC000494960118 447469310 /nfs/dbraw/zinc/46/93/10/447469310.db2.gz RHTIOOPCANNXPV-WUUFJKRQSA-N 2 0 344.503 1.822 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400503028 447573869 /nfs/dbraw/zinc/57/38/69/447573869.db2.gz JAWMQYLFHNJYJP-GJZGRUSLSA-N 2 0 341.496 1.821 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292983 447576076 /nfs/dbraw/zinc/57/60/76/447576076.db2.gz WMNBXRAUELOXJP-HKUYNNGSSA-N 2 0 344.503 1.481 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459132487 447587471 /nfs/dbraw/zinc/58/74/71/447587471.db2.gz BWCYSLMPDQNXFS-UHFFFAOYSA-N 2 0 340.512 1.395 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)NC[C@@H]([NH3+])C(C)C)CC1 ZINC000419994342 447534496 /nfs/dbraw/zinc/53/44/96/447534496.db2.gz JCTVOWVBVMFPIJ-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP C[C@@H](CNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000459049969 447553163 /nfs/dbraw/zinc/55/31/63/447553163.db2.gz ZVHNHXOWBHLIOG-QFBILLFUSA-N 2 0 348.491 1.215 20 0 EDADRP CCN(C(=O)C(=O)N[C@@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000420027749 447553528 /nfs/dbraw/zinc/55/35/28/447553528.db2.gz LEURMDZVIZAPNI-UXLLHSPISA-N 2 0 346.475 1.134 20 0 EDADRP COC(=O)[C@H]([N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1)C1(OC)CCC1 ZINC000459338262 447638356 /nfs/dbraw/zinc/63/83/56/447638356.db2.gz RPOQNIVNIGTETK-ZBFHGGJFSA-N 2 0 342.480 1.122 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@@H]1C[C@@H]2CC[C@H]1C2 ZINC000416464984 447610640 /nfs/dbraw/zinc/61/06/40/447610640.db2.gz JTAYZKMGLYBPQD-HLLBOEOZSA-N 2 0 343.537 1.463 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000420126670 447619407 /nfs/dbraw/zinc/61/94/07/447619407.db2.gz NZNJXWNMBINFNX-WMLDXEAASA-N 2 0 346.475 1.265 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)Cc1ccccc1 ZINC000416855246 447697493 /nfs/dbraw/zinc/69/74/93/447697493.db2.gz VVERUVADJMNCSO-OKZBNKHCSA-N 2 0 330.476 1.553 20 0 EDADRP COC1(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CCOCC1 ZINC000408379511 447654862 /nfs/dbraw/zinc/65/48/62/447654862.db2.gz LJIWIVPGHSQKEW-SJORKVTESA-N 2 0 326.481 1.540 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cnccc1N ZINC000422833354 447763751 /nfs/dbraw/zinc/76/37/51/447763751.db2.gz GNRYUNKWUHJFGE-CQSZACIVSA-N 2 0 347.507 1.771 20 0 EDADRP CCCN(C(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000416947256 447721100 /nfs/dbraw/zinc/72/11/00/447721100.db2.gz PEHAWWBOMOBXBE-XHSDSOJGSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N[C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H](C)O1 ZINC000416948858 447722840 /nfs/dbraw/zinc/72/28/40/447722840.db2.gz QEIFKQBFRLZIJC-NXNVCVFFSA-N 2 0 338.496 1.173 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@@H]1CC[NH2+]C1)[NH+]1CCOCC1 ZINC000416952128 447723574 /nfs/dbraw/zinc/72/35/74/447723574.db2.gz JENNIHPPHIJTQE-ZBFHGGJFSA-N 2 0 326.485 1.032 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H](c1cccc(F)c1)N1CCOCC1 ZINC000422715427 447725547 /nfs/dbraw/zinc/72/55/47/447725547.db2.gz MCNUYNWLKXXLJF-QZTJIDSGSA-N 2 0 339.455 1.543 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417013847 447730183 /nfs/dbraw/zinc/73/01/83/447730183.db2.gz CWZSKRRAUBBLPK-HZPDHXFCSA-N 2 0 338.496 1.258 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(N(C)C)nc2)CC[NH2+]CC1 ZINC000422836983 447764455 /nfs/dbraw/zinc/76/44/55/447764455.db2.gz SKZRPFZIZYLIEJ-CQSZACIVSA-N 2 0 334.464 1.559 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC000458166939 447733485 /nfs/dbraw/zinc/73/34/85/447733485.db2.gz QTMWTHAQRRZOHK-KRWDZBQOSA-N 2 0 340.512 1.397 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000417090341 447734733 /nfs/dbraw/zinc/73/47/33/447734733.db2.gz VWXPIQGFQPKVIS-HNNXBMFYSA-N 2 0 332.492 1.978 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422742053 447735611 /nfs/dbraw/zinc/73/56/11/447735611.db2.gz QZHULTWSBGOYKI-RHSMWYFYSA-N 2 0 339.505 1.851 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)cc1 ZINC000422746955 447737476 /nfs/dbraw/zinc/73/74/76/447737476.db2.gz XRTOGHDYFGBSLK-UXHICEINSA-N 2 0 347.503 1.526 20 0 EDADRP O=C1CCCN1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422756889 447740825 /nfs/dbraw/zinc/74/08/25/447740825.db2.gz CPLQHYUDIAUMSZ-APWZRJJASA-N 2 0 329.444 1.844 20 0 EDADRP COc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)N2CCOCC2)cc1 ZINC000422757063 447741483 /nfs/dbraw/zinc/74/14/83/447741483.db2.gz JGVZIZWQOJXBQM-WDYCEAGBSA-N 2 0 333.476 1.656 20 0 EDADRP Cc1cc(NC(=O)[C@H]2C[N@@H+]3CCN2CCC3)ccc1OCC[NH+](C)C ZINC000458225413 447749842 /nfs/dbraw/zinc/74/98/42/447749842.db2.gz YLFFUGLITAAWLG-QGZVFWFLSA-N 2 0 346.475 1.264 20 0 EDADRP O=C(C[N@@H+]1CC2(CCC2)[C@@H]2COC[C@H]21)NC1CC[NH+](C2CC2)CC1 ZINC000459714220 447750294 /nfs/dbraw/zinc/75/02/94/447750294.db2.gz KYCYUDYBMITILM-IAGOWNOFSA-N 2 0 333.476 1.230 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](CO)Cc1ccccc1OC(F)(F)F)C1C[NH2+]C1 ZINC000422786613 447750651 /nfs/dbraw/zinc/75/06/51/447750651.db2.gz KWCIKHXHOWQXSN-NEPJUHHUSA-N 2 0 332.366 1.934 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000422792195 447751633 /nfs/dbraw/zinc/75/16/33/447751633.db2.gz QXSAGPJINUDPNU-QZTJIDSGSA-N 2 0 338.540 1.293 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000471856566 447815518 /nfs/dbraw/zinc/81/55/18/447815518.db2.gz LRKDTTPAUGQLAZ-SJORKVTESA-N 2 0 344.459 1.210 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000422851280 447769337 /nfs/dbraw/zinc/76/93/37/447769337.db2.gz WTIOYQQQOZHQAI-UHFFFAOYSA-N 2 0 345.491 1.227 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000422927333 447774602 /nfs/dbraw/zinc/77/46/02/447774602.db2.gz GBYJBDSHEQEFGS-WHOFXGATSA-N 2 0 340.851 1.996 20 0 EDADRP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430562309 447779954 /nfs/dbraw/zinc/77/99/54/447779954.db2.gz QOSCXMPDVXZJLC-CVEARBPZSA-N 2 0 325.497 1.996 20 0 EDADRP CCOC(=O)[C@@H]1NCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422986460 447787562 /nfs/dbraw/zinc/78/75/62/447787562.db2.gz GXCVAIPUUUXWPH-IAGOWNOFSA-N 2 0 332.448 1.181 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](C)C1 ZINC000462629206 447800256 /nfs/dbraw/zinc/80/02/56/447800256.db2.gz UKUXZCKOMFAEKE-PMPSAXMXSA-N 2 0 328.501 1.203 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCNS(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000423112547 447807812 /nfs/dbraw/zinc/80/78/12/447807812.db2.gz XPUNIQNUJGEJQZ-UHFFFAOYSA-N 2 0 347.431 1.350 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000471667140 447809241 /nfs/dbraw/zinc/80/92/41/447809241.db2.gz YUBXNECUOGYUPK-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC(C)(C)OC(=O)NC[C@](C)(O)C[NH2+]CCC[NH+]1CCCCC1 ZINC000496607890 447832104 /nfs/dbraw/zinc/83/21/04/447832104.db2.gz MOJPLJNVDNLDGI-QGZVFWFLSA-N 2 0 329.485 1.728 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]C[C@H]3CCSC3)CC2)nc1 ZINC000487284185 447828881 /nfs/dbraw/zinc/82/88/81/447828881.db2.gz ZHFSMEBUBKWDMB-MRXNPFEDSA-N 2 0 335.521 1.722 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCc1cccnc1 ZINC000523484313 447889422 /nfs/dbraw/zinc/88/94/22/447889422.db2.gz AUBTWUVVOFORKA-GOSISDBHSA-N 2 0 332.492 1.889 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000530805321 447961153 /nfs/dbraw/zinc/96/11/53/447961153.db2.gz DOFYRTLXGACKPT-IBGZPJMESA-N 2 0 331.460 1.226 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)NC1CC[NH2+]CC1 ZINC000569947817 447926552 /nfs/dbraw/zinc/92/65/52/447926552.db2.gz INSXIICQQSHYGI-KRWDZBQOSA-N 2 0 330.476 1.602 20 0 EDADRP C[C@@H](NC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000575921431 447927952 /nfs/dbraw/zinc/92/79/52/447927952.db2.gz ZUILBUIMXHSCJH-OWCLPIDISA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H](Oc1ccc2c(c1)CCC2)C(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000530641771 447932557 /nfs/dbraw/zinc/93/25/57/447932557.db2.gz IWFHWUNVTCTEHQ-INIZCTEOSA-N 2 0 347.503 1.894 20 0 EDADRP CCc1nc(CCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cs1 ZINC000524627975 447937611 /nfs/dbraw/zinc/93/76/11/447937611.db2.gz LPPKYQZZABOBGK-UHFFFAOYSA-N 2 0 341.525 1.383 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CC[C@]3(C2)CCC[NH2+]C3)C[C@@H](C)O1 ZINC000575972346 447939653 /nfs/dbraw/zinc/93/96/53/447939653.db2.gz JPZLALLARNHYER-JFIYKMOQSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000525306323 447993171 /nfs/dbraw/zinc/99/31/71/447993171.db2.gz JZLKNVBOVKDSFE-BZUAXINKSA-N 2 0 340.512 1.325 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN(C)[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000576227942 448005925 /nfs/dbraw/zinc/00/59/25/448005925.db2.gz MOCICFXMWPYCDP-LJQANCHMSA-N 2 0 344.503 1.323 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1ccnn1C ZINC000491433049 448027432 /nfs/dbraw/zinc/02/74/32/448027432.db2.gz CIIVBFKVMPSDKO-JJEJIETFSA-N 2 0 333.480 1.308 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804202 448027719 /nfs/dbraw/zinc/02/77/19/448027719.db2.gz MDVFYFAXNQVATK-WMZOPIPTSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804199 448028874 /nfs/dbraw/zinc/02/88/74/448028874.db2.gz MDVFYFAXNQVATK-AEFFLSMTSA-N 2 0 330.476 1.752 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]C[C@H]2CCCN2CCCO)CC1 ZINC000497301370 448054448 /nfs/dbraw/zinc/05/44/48/448054448.db2.gz QCJMEADKORAWIJ-QGZVFWFLSA-N 2 0 341.496 1.680 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000576569703 448086473 /nfs/dbraw/zinc/08/64/73/448086473.db2.gz XXUSTHVDENNDQZ-KRWDZBQOSA-N 2 0 344.459 1.035 20 0 EDADRP C[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000576575597 448087092 /nfs/dbraw/zinc/08/70/92/448087092.db2.gz CLTUPNZIHZIEHP-GFCCVEGCSA-N 2 0 329.366 1.658 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000576592727 448093792 /nfs/dbraw/zinc/09/37/92/448093792.db2.gz WUBWWZHVFYKGHC-GOSISDBHSA-N 2 0 330.476 1.905 20 0 EDADRP CC(C)[NH+]1CCC(NCc2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1 ZINC000531709226 448130822 /nfs/dbraw/zinc/13/08/22/448130822.db2.gz HDJAEERQIWIKDL-LJQANCHMSA-N 2 0 344.459 1.704 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CC[C@@]2(CCN(C(=O)OC(C)(C)C)C2)C1 ZINC000497100743 448199204 /nfs/dbraw/zinc/19/92/04/448199204.db2.gz RSLUAILNSIVNSS-MAUKXSAKSA-N 2 0 341.496 1.632 20 0 EDADRP CC1(C)C[NH2+][C@@H]1C1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000571764853 448202352 /nfs/dbraw/zinc/20/23/52/448202352.db2.gz LZIITSHOIFXPLH-ZWKOTPCHSA-N 2 0 327.472 1.938 20 0 EDADRP C[C@H]([C@H](C)NC(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2)N1CCOCC1 ZINC000514588880 448167013 /nfs/dbraw/zinc/16/70/13/448167013.db2.gz DBYUBMUZNFIPIC-GUTXKFCHSA-N 2 0 347.463 1.128 20 0 EDADRP C[C@H](CC(=O)N(C)C)[NH2+]C[C@H](c1cccs1)N1CCN(C)CC1 ZINC000532187499 448214456 /nfs/dbraw/zinc/21/44/56/448214456.db2.gz GKHIJXVEQMOZPO-HUUCEWRRSA-N 2 0 338.521 1.493 20 0 EDADRP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000532230841 448218355 /nfs/dbraw/zinc/21/83/55/448218355.db2.gz IMTBNLAHINXRDJ-WMZOPIPTSA-N 2 0 332.492 1.338 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC000582555900 448274509 /nfs/dbraw/zinc/27/45/09/448274509.db2.gz RUIIEMSVJCSSDZ-LJQANCHMSA-N 2 0 347.503 1.877 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000577520653 448320934 /nfs/dbraw/zinc/32/09/34/448320934.db2.gz IUIGIUZVYRDZES-BBWFWOEESA-N 2 0 343.537 1.653 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000577392036 448286062 /nfs/dbraw/zinc/28/60/62/448286062.db2.gz IBXXIUSTMOJFLB-WMZOPIPTSA-N 2 0 346.475 1.365 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1)COC1CCOCC1 ZINC000577603429 448338359 /nfs/dbraw/zinc/33/83/59/448338359.db2.gz CLTULZXYAHRZSW-MOPGFXCFSA-N 2 0 348.487 1.655 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000582791490 448341937 /nfs/dbraw/zinc/34/19/37/448341937.db2.gz YZYIRCOSWVFYTG-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)C3(C)C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000582899205 448371817 /nfs/dbraw/zinc/37/18/17/448371817.db2.gz GMZLRYVAIHSNGB-IAGOWNOFSA-N 2 0 329.444 1.699 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000515839725 448355712 /nfs/dbraw/zinc/35/57/12/448355712.db2.gz PUORVZWBADUMRX-LSDHHAIUSA-N 2 0 325.840 1.437 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@H]1CC[NH+](C)C1)c1ccccc1 ZINC000591459412 448372156 /nfs/dbraw/zinc/37/21/56/448372156.db2.gz GYNRRVNMWWYNRV-QZTJIDSGSA-N 2 0 333.476 1.764 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)C(F)(F)F)cn2)CC1 ZINC000572274652 448334334 /nfs/dbraw/zinc/33/43/34/448334334.db2.gz JWHCBKVZTZTJFW-CYBMUJFWSA-N 2 0 332.370 1.236 20 0 EDADRP Cc1c(C(=O)N(C)[C@H](C)C2CC[NH+](C)CC2)nnn1C1CC[NH2+]CC1 ZINC000566193914 448411375 /nfs/dbraw/zinc/41/13/75/448411375.db2.gz OYUKYUSMTUOBDS-CYBMUJFWSA-N 2 0 348.495 1.313 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000516070445 448375801 /nfs/dbraw/zinc/37/58/01/448375801.db2.gz FBHKALKYTHIGAC-AHCXZYCDSA-N 2 0 330.476 1.796 20 0 EDADRP c1cc2c(cc1CN1CC[NH+](CCC3CC[NH2+]CC3)CC1)OCCO2 ZINC000572606382 448420805 /nfs/dbraw/zinc/42/08/05/448420805.db2.gz PSIJAWUYSGFTOC-UHFFFAOYSA-N 2 0 345.487 1.965 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCNS(=O)(=O)c2ccccc2Cl)C1 ZINC000577963552 448428005 /nfs/dbraw/zinc/42/80/05/448428005.db2.gz DWPRPYMQEISLNY-QWHCGFSZSA-N 2 0 345.896 1.868 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000578024235 448443619 /nfs/dbraw/zinc/44/36/19/448443619.db2.gz RHQDGNVETHUMRW-PKOBYXMFSA-N 2 0 344.503 1.261 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2nn(C)c3ccccc23)CC1 ZINC000591701268 448460498 /nfs/dbraw/zinc/46/04/98/448460498.db2.gz MLRRZKWARCRHJL-INIZCTEOSA-N 2 0 329.492 1.937 20 0 EDADRP CC[NH+]1CCC(C[NH2+]Cc2cccc(NS(C)(=O)=O)c2)CC1 ZINC000591707962 448464478 /nfs/dbraw/zinc/46/44/78/448464478.db2.gz BCBAJJDCHYUANK-UHFFFAOYSA-N 2 0 325.478 1.880 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000578122739 448465771 /nfs/dbraw/zinc/46/57/71/448465771.db2.gz JSZGETMOILDYBJ-HKUYNNGSSA-N 2 0 348.491 1.113 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000578204076 448485178 /nfs/dbraw/zinc/48/51/78/448485178.db2.gz HZPBENDWPFPWMV-SJORKVTESA-N 2 0 339.524 1.850 20 0 EDADRP C[C@H](c1ccc(OC(F)(F)F)cc1)N1CCN2C(=O)[C@H]([NH3+])C[C@H]2C1 ZINC000578144517 448472302 /nfs/dbraw/zinc/47/23/02/448472302.db2.gz WCDMOTFNIMUSMG-SCDSUCTJSA-N 2 0 343.349 1.890 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCCC[NH2+]C(C)C)C[C@H]1CC ZINC000516916681 448495579 /nfs/dbraw/zinc/49/55/79/448495579.db2.gz IIINLFUACFCGCN-MRXNPFEDSA-N 2 0 328.501 1.517 20 0 EDADRP O=C1N[C@]2(CC[N@H+](Cc3ccccc3)C2)C(=O)N1CC[C@@H]1CC[NH2+]C1 ZINC000578349707 448525335 /nfs/dbraw/zinc/52/53/35/448525335.db2.gz NDAVPLPFORQABU-KXBFYZLASA-N 2 0 342.443 1.183 20 0 EDADRP Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000566639493 448527110 /nfs/dbraw/zinc/52/71/10/448527110.db2.gz QRJHKPDZQVOWFL-GOSISDBHSA-N 2 0 331.460 1.361 20 0 EDADRP CCCC(=O)Nc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000573198915 448565666 /nfs/dbraw/zinc/56/56/66/448565666.db2.gz BZLYCLZRLOUROX-SFHVURJKSA-N 2 0 348.491 1.123 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc(N(C)C)s3)C2)CC1 ZINC000536709518 448539400 /nfs/dbraw/zinc/53/94/00/448539400.db2.gz CUSQLVMBPLUGTF-HNNXBMFYSA-N 2 0 337.537 1.809 20 0 EDADRP Cc1nc2cc(NC(=O)C(=O)N[C@@H]3CC[N@H+](C)[C@@H](C)C3)ccc2n1C ZINC000573430057 448623719 /nfs/dbraw/zinc/62/37/19/448623719.db2.gz ZRYATIHZMRUVRQ-SMDDNHRTSA-N 2 0 343.431 1.419 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000573278508 448586686 /nfs/dbraw/zinc/58/66/86/448586686.db2.gz AZFQSRYLTIQGMQ-CVEARBPZSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC[C@H](O)C[N@@H+](C)C1CC1 ZINC000517556735 448591435 /nfs/dbraw/zinc/59/14/35/448591435.db2.gz SYBKBKTWMWRKOV-SFHVURJKSA-N 2 0 332.492 1.614 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCNC(=O)NC(C)C)CC2)CC1 ZINC000573320685 448598258 /nfs/dbraw/zinc/59/82/58/448598258.db2.gz FQUVAFCQGIMRRR-UHFFFAOYSA-N 2 0 339.528 1.186 20 0 EDADRP C[NH+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000573336314 448602434 /nfs/dbraw/zinc/60/24/34/448602434.db2.gz LWTCYQOKJIAEAN-HOTGVXAUSA-N 2 0 325.522 1.757 20 0 EDADRP CCN(C(=O)CN1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000573550215 448655997 /nfs/dbraw/zinc/65/59/97/448655997.db2.gz QQISOQXTHBQQMJ-KRWDZBQOSA-N 2 0 342.447 1.427 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000518753869 448705127 /nfs/dbraw/zinc/70/51/27/448705127.db2.gz QPLNSGLDOYHMKS-ZDUSSCGKSA-N 2 0 345.447 1.053 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)C1(n2cccn2)CC[NH2+]CC1 ZINC000573803878 448717673 /nfs/dbraw/zinc/71/76/73/448717673.db2.gz FLVNEUDHHMQGHZ-UHFFFAOYSA-N 2 0 341.415 1.083 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@H]3[NH2+]CCCC3(C)C)ccn2)CC1 ZINC000573850708 448729232 /nfs/dbraw/zinc/72/92/32/448729232.db2.gz ZZUMVFIJWWUSCS-QGZVFWFLSA-N 2 0 345.491 1.228 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+]C[C@@H](O)COC(C)C)cc2)CC1 ZINC000567677486 448733417 /nfs/dbraw/zinc/73/34/17/448733417.db2.gz YPRPEFQEMITWKQ-HXUWFJFHSA-N 2 0 349.519 1.700 20 0 EDADRP Cc1c2ccccc2n(C)c1C[NH2+]C[C@H](O)CN1CC[NH+](C)CC1 ZINC000567699363 448740132 /nfs/dbraw/zinc/74/01/32/448740132.db2.gz LLNFMZOHDCKTGY-INIZCTEOSA-N 2 0 330.476 1.185 20 0 EDADRP COCCN(C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000579254418 448755240 /nfs/dbraw/zinc/75/52/40/448755240.db2.gz JBGPIGGVVVRCIS-SPOLIRPYSA-N 2 0 342.524 1.577 20 0 EDADRP Cn1ccnc1C[N@H+](C[C@@H]1CCCC[C@@H]1O)[C@H]1CC12CC[NH2+]CC2 ZINC000579483668 448807316 /nfs/dbraw/zinc/80/73/16/448807316.db2.gz ZTXZGKXGMMDNQK-ULQDDVLXSA-N 2 0 332.492 1.915 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000519584546 448790985 /nfs/dbraw/zinc/79/09/85/448790985.db2.gz MJAPKIKSOOKCDW-QUCCMNQESA-N 2 0 345.487 1.565 20 0 EDADRP Cc1ncsc1CN(C[C@H]1CC[NH2+]C1)C(=O)[C@@H]1CCCCC[NH2+]1 ZINC000519592177 448793574 /nfs/dbraw/zinc/79/35/74/448793574.db2.gz JUMLCHVKTNDSFC-GJZGRUSLSA-N 2 0 336.505 1.922 20 0 EDADRP Cc1ccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c(C[NH+](C)C)c1 ZINC000579469190 448801319 /nfs/dbraw/zinc/80/13/19/448801319.db2.gz SRMXTBDBTWTGIX-HNNXBMFYSA-N 2 0 342.447 1.652 20 0 EDADRP CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568214726 448839037 /nfs/dbraw/zinc/83/90/37/448839037.db2.gz BMRQKQWPIMKXCU-MOPGFXCFSA-N 2 0 347.503 1.718 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000579664892 448844192 /nfs/dbraw/zinc/84/41/92/448844192.db2.gz RKGUORSPEUWXCA-LPHOPBHVSA-N 2 0 333.476 1.468 20 0 EDADRP C[C@@H]1C[NH+](C[C@H](O)CN[C@H]2CC[N@@H+](C3CCCC3)C2)C[C@@H](C)O1 ZINC000568621590 448896837 /nfs/dbraw/zinc/89/68/37/448896837.db2.gz WIIASXPFEKSZGX-XLMAVXFVSA-N 2 0 325.497 1.063 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2)c1ccccc1 ZINC000592566548 448903348 /nfs/dbraw/zinc/90/33/48/448903348.db2.gz LVPANSFCNUIFLL-DOTOQJQBSA-N 2 0 341.459 1.929 20 0 EDADRP CC(C)C(=O)c1ccc([C@H](C)C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000520578100 448911937 /nfs/dbraw/zinc/91/19/37/448911937.db2.gz TXBBGPHYXOOTEA-WMLDXEAASA-N 2 0 331.460 1.730 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568738780 448913547 /nfs/dbraw/zinc/91/35/47/448913547.db2.gz TUBZFEVRTBEANP-ROUUACIJSA-N 2 0 346.475 1.281 20 0 EDADRP C[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)CC1(C)C ZINC000579970317 448925326 /nfs/dbraw/zinc/92/53/26/448925326.db2.gz BJFIJIQPNQTRTN-QGZVFWFLSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2C[C@H](C[NH3+])C3(C2)CCOCC3)C[N@@H+]1C1CC1 ZINC000568856246 448927302 /nfs/dbraw/zinc/92/73/02/448927302.db2.gz PDVAOSMKFUVGEE-ILXRZTDVSA-N 2 0 336.480 1.009 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)C2(CCCCC2)C1 ZINC000579838240 448892160 /nfs/dbraw/zinc/89/21/60/448892160.db2.gz NSXKOPJEZKKGGW-HNNXBMFYSA-N 2 0 346.479 1.121 20 0 EDADRP C[C@H]1C[C@H](NCC(=O)N2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000521225627 448965429 /nfs/dbraw/zinc/96/54/29/448965429.db2.gz LWTZTGIBSOQBSN-FUHWJXTLSA-N 2 0 330.476 1.061 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)NCc2ccc3c[nH+]cn3c2)C1 ZINC000574854251 448969054 /nfs/dbraw/zinc/96/90/54/448969054.db2.gz DIAFJZRVIGNIPZ-KRWDZBQOSA-N 2 0 345.447 1.490 20 0 EDADRP Cc1cn2c(n1)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)CCC2 ZINC000574967559 449000177 /nfs/dbraw/zinc/00/01/77/449000177.db2.gz QIXXZWQHGFKTSA-CVEARBPZSA-N 2 0 349.479 1.215 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000529913875 449004063 /nfs/dbraw/zinc/00/40/63/449004063.db2.gz OUSHKHDBCBTQKH-BBWFWOEESA-N 2 0 337.508 1.961 20 0 EDADRP O=C(CN1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NC[C@H]1Cc2ccccc2O1 ZINC000569337162 449005618 /nfs/dbraw/zinc/00/56/18/449005618.db2.gz GSYUMTCLQSZJBM-KZNAEPCWSA-N 2 0 343.471 1.570 20 0 EDADRP C[NH+]1CC[C@H](C(=O)Nc2cccc(CNC(=O)[C@@H]3CC[N@@H+](C)C3)c2)C1 ZINC000521927767 449029398 /nfs/dbraw/zinc/02/93/98/449029398.db2.gz XXIGQZFILCFIHW-CVEARBPZSA-N 2 0 344.459 1.145 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592954794 449075918 /nfs/dbraw/zinc/07/59/18/449075918.db2.gz DGHVAEATOGRWRW-HUUCEWRRSA-N 2 0 333.480 1.714 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592956260 449076272 /nfs/dbraw/zinc/07/62/72/449076272.db2.gz FQOCXHFNAPGCEO-LSDHHAIUSA-N 2 0 347.507 1.960 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+]([C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000530222506 449085986 /nfs/dbraw/zinc/08/59/86/449085986.db2.gz RAKYNLUFPGLSBZ-SQNIBIBYSA-N 2 0 335.492 1.748 20 0 EDADRP O=C(CC[N@H+]1CCc2c(cccc2C(F)(F)F)C1)N1CC[NH2+]CC1 ZINC000530231197 449089902 /nfs/dbraw/zinc/08/99/02/449089902.db2.gz GBYJSTUCJGQIKI-UHFFFAOYSA-N 2 0 341.377 1.885 20 0 EDADRP O=C1[C@H]([NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)CCN1c1ccccc1 ZINC000530240407 449091847 /nfs/dbraw/zinc/09/18/47/449091847.db2.gz LKGXLZFZWJQZAC-RTBURBONSA-N 2 0 343.471 1.882 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000595974104 449292745 /nfs/dbraw/zinc/29/27/45/449292745.db2.gz WPBFOTNVWRAOPK-CABCVRRESA-N 2 0 333.480 1.569 20 0 EDADRP CC[NH+](CC)CC1CCN(Cc2nc3c(cnn3C)c(=O)[nH]2)CC1 ZINC000590785815 449293756 /nfs/dbraw/zinc/29/37/56/449293756.db2.gz SVHUGKQDJYSDCT-UHFFFAOYSA-N 2 0 332.452 1.623 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000590859561 449322883 /nfs/dbraw/zinc/32/28/83/449322883.db2.gz KHJHIRADQRSPQC-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP COC(=O)[C@H]1C[NH2+]CCCN1C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000595951936 449277258 /nfs/dbraw/zinc/27/72/58/449277258.db2.gz VWAKLLJFSPOYKK-DOTOQJQBSA-N 2 0 345.443 1.042 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000593915395 449283378 /nfs/dbraw/zinc/28/33/78/449283378.db2.gz WSMBBIIPAOXEMM-ZDUSSCGKSA-N 2 0 327.432 1.369 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC[C@H](C4CC[NH2+]CC4)C3)c21 ZINC000595962716 449284825 /nfs/dbraw/zinc/28/48/25/449284825.db2.gz UDBOGJPSKYHDFA-CVEARBPZSA-N 2 0 345.491 1.571 20 0 EDADRP C[NH+](C)CC1(C(=O)N2CCC[C@@](O)(C[NH+](C)C)C2)CCCCC1 ZINC000614066418 449441600 /nfs/dbraw/zinc/44/16/00/449441600.db2.gz FCFWZXLXFZBQMD-GOSISDBHSA-N 2 0 325.497 1.414 20 0 EDADRP C[S@@](=O)C1(C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH2+]CC1 ZINC000602521438 449646653 /nfs/dbraw/zinc/64/66/53/449646653.db2.gz OIWXIZNCXGUKHV-QKFKETGDSA-N 2 0 341.521 1.010 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000602586753 449688748 /nfs/dbraw/zinc/68/87/48/449688748.db2.gz UNYAEEANPCCKSZ-AWEZNQCLSA-N 2 0 325.453 1.134 20 0 EDADRP COC(=O)c1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)[nH]c1C ZINC000602739091 449776243 /nfs/dbraw/zinc/77/62/43/449776243.db2.gz IQMRSDMPPOPYGY-UHFFFAOYSA-N 2 0 343.431 1.869 20 0 EDADRP COC(=O)c1oc(C[NH2+]C[C@H](C(C)C)N2CCN(C)CC2)cc1C ZINC000597043433 449780687 /nfs/dbraw/zinc/78/06/87/449780687.db2.gz MXOURJYWRMZDGA-MRXNPFEDSA-N 2 0 337.464 1.736 20 0 EDADRP CCOC(=O)CCc1cc(NC[C@@H]2CCCC[N@H+](C)C2)nc(C)n1 ZINC000601201439 449747048 /nfs/dbraw/zinc/74/70/48/449747048.db2.gz ORDGPASQZCWGSJ-HNNXBMFYSA-N 2 0 334.464 2.425 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601248861 449772682 /nfs/dbraw/zinc/77/26/82/449772682.db2.gz WBTREKWNHWAMBT-MRXNPFEDSA-N 2 0 340.512 1.397 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000594919396 449807012 /nfs/dbraw/zinc/80/70/12/449807012.db2.gz ZJOKPQNHVVKNNC-CWRNSKLLSA-N 2 0 332.448 1.121 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000594924565 449808977 /nfs/dbraw/zinc/80/89/77/449808977.db2.gz JJECSRYPEQHSMJ-KBAYOESNSA-N 2 0 346.475 1.381 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)CC(C)(C)CC(=O)OC)CC1 ZINC000595008225 449840225 /nfs/dbraw/zinc/84/02/25/449840225.db2.gz STEVEEHRECDVJL-CVEARBPZSA-N 2 0 327.513 1.970 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)CC1 ZINC000601281774 449795254 /nfs/dbraw/zinc/79/52/54/449795254.db2.gz GGVDJURMADYDNR-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597076965 449800200 /nfs/dbraw/zinc/80/02/00/449800200.db2.gz XGSWITDAQLPXIL-UHFFFAOYSA-N 2 0 337.439 1.730 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000599310017 449881863 /nfs/dbraw/zinc/88/18/63/449881863.db2.gz CLGSYMBTJUGHJM-IBGZPJMESA-N 2 0 344.503 1.405 20 0 EDADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)NCCC[NH+](C)C ZINC000608615491 449887309 /nfs/dbraw/zinc/88/73/09/449887309.db2.gz ZTXFNIMJKGCYJA-QGZVFWFLSA-N 2 0 347.507 1.448 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H]2CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000608648277 449895969 /nfs/dbraw/zinc/89/59/69/449895969.db2.gz QVJBSIPLAMMXAS-QGZVFWFLSA-N 2 0 330.476 1.479 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+](C)C(C)C)CC1 ZINC000608704939 449915118 /nfs/dbraw/zinc/91/51/18/449915118.db2.gz PNQBTBVJGWLQBP-UHFFFAOYSA-N 2 0 342.528 1.717 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612985667 449971387 /nfs/dbraw/zinc/97/13/87/449971387.db2.gz MFJSPFZWAIGTJQ-HOCLYGCPSA-N 2 0 336.480 1.023 20 0 EDADRP COC(=O)c1c[nH]c2cc(NC(=O)N3CCN(C)C[C@@H]3C[NH3+])ccc12 ZINC000599615782 450105998 /nfs/dbraw/zinc/10/59/98/450105998.db2.gz NCPCUPCQBPJRSE-LBPRGKRZSA-N 2 0 345.403 1.061 20 0 EDADRP C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC1([NH+]3CCOCC3)CCCC1)C2 ZINC000615617235 450168836 /nfs/dbraw/zinc/16/88/36/450168836.db2.gz VQGGANTXBDCAGO-IBGZPJMESA-N 2 0 349.519 1.966 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613581241 450234766 /nfs/dbraw/zinc/23/47/66/450234766.db2.gz ASBICEIXDDOANE-GOSISDBHSA-N 2 0 333.476 1.296 20 0 EDADRP CC(CC[NH+]1CCc2nc[nH]c2C1)CC[N@@H+]1CCc2nc[nH]c2C1 ZINC000625434607 450359270 /nfs/dbraw/zinc/35/92/70/450359270.db2.gz CIGBLUGBLTZSDU-UHFFFAOYSA-N 2 0 328.464 1.966 20 0 EDADRP Cc1cnc(C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)o1 ZINC000623068698 450390023 /nfs/dbraw/zinc/39/00/23/450390023.db2.gz HQWYUBGIADXAMU-UHFFFAOYSA-N 2 0 328.416 1.706 20 0 EDADRP C[NH+](C)C[C@@H]1COC2(CCCC2)CN1C(=O)[C@@H]1CCn2cncc2C1 ZINC000620910477 450559759 /nfs/dbraw/zinc/55/97/59/450559759.db2.gz QVVGBLFESQNVHJ-NVXWUHKLSA-N 2 0 346.475 1.547 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623723677 450573087 /nfs/dbraw/zinc/57/30/87/450573087.db2.gz ZKNXIQXHHQYCGJ-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000621153671 450601875 /nfs/dbraw/zinc/60/18/75/450601875.db2.gz XFEXWDQOYPJPDD-HKUYNNGSSA-N 2 0 331.460 1.080 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)Nc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000633043821 450643274 /nfs/dbraw/zinc/64/32/74/450643274.db2.gz VUKFMYXHACBJOU-CQSZACIVSA-N 2 0 346.475 1.978 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1=O ZINC000629532030 450726203 /nfs/dbraw/zinc/72/62/03/450726203.db2.gz JBAWNHIZRXWLKL-OCCSQVGLSA-N 2 0 343.830 1.928 20 0 EDADRP O[C@@H](CNc1cccc(C[NH+]2CCC(O)CC2)c1)C[NH+]1CCCC1 ZINC000629582889 450748725 /nfs/dbraw/zinc/74/87/25/450748725.db2.gz YNZJJYPRMMELPW-IBGZPJMESA-N 2 0 333.476 1.512 20 0 EDADRP CNS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000629595003 450755344 /nfs/dbraw/zinc/75/53/44/450755344.db2.gz HZACPZHTBWIVPU-OAHLLOKOSA-N 2 0 337.489 1.094 20 0 EDADRP [NH3+]CCC[C@@H](NS(=O)(=O)CCC[NH+]1CCCC1)c1ccccc1 ZINC000631942725 450900325 /nfs/dbraw/zinc/90/03/25/450900325.db2.gz FWNCKQKKDSOCLL-QGZVFWFLSA-N 2 0 339.505 1.872 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000631943077 450900340 /nfs/dbraw/zinc/90/03/40/450900340.db2.gz MMLYSKJBHIVXBF-CVEARBPZSA-N 2 0 329.510 1.266 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631965011 450923523 /nfs/dbraw/zinc/92/35/23/450923523.db2.gz QTQOVQDEKBVGAY-IRXDYDNUSA-N 2 0 345.553 1.854 20 0 EDADRP CN(CCC[N@H+](C)Cc1ccco1)C(=O)NC[C@@H]1COCCN1C ZINC000624732309 450968956 /nfs/dbraw/zinc/96/89/56/450968956.db2.gz ORKAXDJFPZJIKP-OAHLLOKOSA-N 2 0 338.452 1.074 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C[C@H](C)O1 ZINC000626929227 451012922 /nfs/dbraw/zinc/01/29/22/451012922.db2.gz RBPHAOHSWKXZPU-LVYXFOGZSA-N 2 0 338.496 1.127 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000626931142 451013525 /nfs/dbraw/zinc/01/35/25/451013525.db2.gz UCNTUOQGRWUSIC-UHFFFAOYSA-N 2 0 348.491 1.310 20 0 EDADRP CC[C@H](CNC(=O)NCCOCCC[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000626934752 451017431 /nfs/dbraw/zinc/01/74/31/451017431.db2.gz MZIVESGUHSFIQG-GOSISDBHSA-N 2 0 348.491 1.488 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632085385 451023485 /nfs/dbraw/zinc/02/34/85/451023485.db2.gz NREYBBWSBYYDEI-IXDOHACOSA-N 2 0 345.553 1.758 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626947073 451025131 /nfs/dbraw/zinc/02/51/31/451025131.db2.gz KQJAALDYUSRNSI-GASCZTMLSA-N 2 0 340.512 1.550 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000626946343 451025417 /nfs/dbraw/zinc/02/54/17/451025417.db2.gz XKLIXYSIEQVRNZ-NVXWUHKLSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@@H]1COCC[NH2+]1)c1ccc(Cl)cc1 ZINC000626991087 451056063 /nfs/dbraw/zinc/05/60/63/451056063.db2.gz BVCWKPSVWAHTIK-HUUCEWRRSA-N 2 0 340.855 1.230 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)NCC2([NH3+])CCOCC2)C[N@@H+]1Cc1ccccc1 ZINC000626999073 451064471 /nfs/dbraw/zinc/06/44/71/451064471.db2.gz WFGMJIILLDHFNS-WBVHZDCISA-N 2 0 346.475 1.457 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)N2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)C1 ZINC000627002022 451067564 /nfs/dbraw/zinc/06/75/64/451067564.db2.gz PZYCZSGRFSBOAW-YTQUADARSA-N 2 0 336.524 1.995 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635570111 451069263 /nfs/dbraw/zinc/06/92/63/451069263.db2.gz YYZCWUCTFFOVEG-QZTJIDSGSA-N 2 0 344.459 1.025 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC000635572558 451071709 /nfs/dbraw/zinc/07/17/09/451071709.db2.gz LTTDSPVBDCUDRQ-HOTGVXAUSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@@H](NC(=O)N(C)CCOCC[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000627010784 451074409 /nfs/dbraw/zinc/07/44/09/451074409.db2.gz SJJWQHDNGOTWHZ-AEFFLSMTSA-N 2 0 348.491 1.514 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000627018576 451082874 /nfs/dbraw/zinc/08/28/74/451082874.db2.gz YXGMFWDRFSIJPH-NWDGAFQWSA-N 2 0 336.402 1.639 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@H]1CSCCN1Cc1ccccc1 ZINC000627019444 451084429 /nfs/dbraw/zinc/08/44/29/451084429.db2.gz DBUGILPEHCHMJK-INIZCTEOSA-N 2 0 336.505 1.594 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000635629837 451118966 /nfs/dbraw/zinc/11/89/66/451118966.db2.gz HUYKDTLWZORZHH-HKUYNNGSSA-N 2 0 331.460 1.081 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnc(NC)cn1 ZINC000625027733 451119516 /nfs/dbraw/zinc/11/95/16/451119516.db2.gz UPRKYTAMJHQQPI-CQSZACIVSA-N 2 0 334.468 1.006 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C)CCCC[NH3+])CC1 ZINC000627093240 451121456 /nfs/dbraw/zinc/12/14/56/451121456.db2.gz KUIHRMJBHYISHW-INIZCTEOSA-N 2 0 340.512 1.790 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)N2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1 ZINC000627111227 451128783 /nfs/dbraw/zinc/12/87/83/451128783.db2.gz OVQPIQWWZRXQGS-WUHRBBMRSA-N 2 0 336.402 1.495 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)N3CC[NH2+]C(C)(C)C3)ccc2[nH]c1=O ZINC000635646234 451133555 /nfs/dbraw/zinc/13/35/55/451133555.db2.gz VBRINZCNPGESFD-UHFFFAOYSA-N 2 0 345.447 1.128 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC(Oc2ccncc2C)CC1 ZINC000627173480 451163290 /nfs/dbraw/zinc/16/32/90/451163290.db2.gz YEYLPGCWCDDSSV-UHFFFAOYSA-N 2 0 336.436 1.179 20 0 EDADRP C[C@H](C(=O)N(C)[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](C)[NH+](C)C)[NH+](C)C ZINC000635729637 451202785 /nfs/dbraw/zinc/20/27/85/451202785.db2.gz BXQOHKSVRQITGO-KLHDSHLOSA-N 2 0 340.512 1.115 20 0 EDADRP C[C@]1(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C[NH2+]CCO1 ZINC000638085134 451250297 /nfs/dbraw/zinc/25/02/97/451250297.db2.gz NYYCGAXERAKWHP-QGZVFWFLSA-N 2 0 337.489 1.455 20 0 EDADRP Cc1c(C[NH+]2CCSCC2)cccc1NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638089210 451253895 /nfs/dbraw/zinc/25/38/95/451253895.db2.gz PFPLMQZZDNZPMY-SFHVURJKSA-N 2 0 349.500 1.861 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccnc(N2CCSCC2)c1)C1CC1 ZINC000634303011 451286589 /nfs/dbraw/zinc/28/65/89/451286589.db2.gz BZDQTBXBXMEEEY-UHFFFAOYSA-N 2 0 334.489 1.735 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000638098661 451263126 /nfs/dbraw/zinc/26/31/26/451263126.db2.gz CEHPEFMDAVAMST-JCGIZDLHSA-N 2 0 331.460 1.614 20 0 EDADRP CC[NH2+][C@H](C)C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000638098702 451263962 /nfs/dbraw/zinc/26/39/62/451263962.db2.gz DJENTDAZZIVPNX-QGZVFWFLSA-N 2 0 332.492 1.261 20 0 EDADRP c1c(C[C@H]2CC[NH2+]C2)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000630596304 451269010 /nfs/dbraw/zinc/26/90/10/451269010.db2.gz NRHYIHZDNGUFET-MSOLQXFVSA-N 2 0 325.460 1.952 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC000635843484 451292340 /nfs/dbraw/zinc/29/23/40/451292340.db2.gz ULKQUDCARBGPPA-HXUWFJFHSA-N 2 0 345.487 1.424 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000638129261 451300381 /nfs/dbraw/zinc/30/03/81/451300381.db2.gz XZUAVLTZCLBDEK-SZVBFZGTSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000638144694 451317656 /nfs/dbraw/zinc/31/76/56/451317656.db2.gz GQPVQHRHJAUZKM-ZYSHUDEJSA-N 2 0 345.487 1.910 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000638145563 451319739 /nfs/dbraw/zinc/31/97/39/451319739.db2.gz LZDHHJRZZHCASW-QZTJIDSGSA-N 2 0 331.460 1.556 20 0 EDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCCC[NH+]1C ZINC000635839273 451288083 /nfs/dbraw/zinc/28/80/83/451288083.db2.gz DXVYJABPRQWUIV-AZUAARDMSA-N 2 0 345.487 1.566 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000638241366 451376164 /nfs/dbraw/zinc/37/61/64/451376164.db2.gz VHVZKDGTNPNXHG-WMZOPIPTSA-N 2 0 331.460 1.413 20 0 EDADRP Cn1cc(N2CC[C@H]([N@H+](C)CCCC[NH+]3CCCCC3)C2=O)cn1 ZINC000640531256 451382496 /nfs/dbraw/zinc/38/24/96/451382496.db2.gz NSRLLVDHIZEQKE-KRWDZBQOSA-N 2 0 333.480 1.723 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638254876 451383378 /nfs/dbraw/zinc/38/33/78/451383378.db2.gz JALKKFVLBINKPF-YQVWRLOYSA-N 2 0 331.460 1.379 20 0 EDADRP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCOC[C@@H]1C1CC1 ZINC000640534029 451383572 /nfs/dbraw/zinc/38/35/72/451383572.db2.gz ZXGZKDSFJVTDFO-GOSISDBHSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638176810 451338277 /nfs/dbraw/zinc/33/82/77/451338277.db2.gz FYQMDOGIMGFAEO-IUODEOHRSA-N 2 0 345.447 1.031 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1F)C(=O)CCC1C[NH2+]C1 ZINC000638274745 451392983 /nfs/dbraw/zinc/39/29/83/451392983.db2.gz GRPPKCJRCIWIHL-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638285403 451402796 /nfs/dbraw/zinc/40/27/96/451402796.db2.gz KLOSXQXXOUZQBR-ROUUACIJSA-N 2 0 332.492 1.388 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000638288170 451404830 /nfs/dbraw/zinc/40/48/30/451404830.db2.gz KGHUFWDMGDWGIU-LEOMRAHMSA-N 2 0 331.460 1.698 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N2CCC([N@H+](C)CCCO)CC2)c1 ZINC000640562304 451407310 /nfs/dbraw/zinc/40/73/10/451407310.db2.gz LONPOSPSRLPGAE-UHFFFAOYSA-N 2 0 349.479 1.454 20 0 EDADRP COC[C@@]1(C(=O)N2CCC(OCCC[NH+](C)C)CC2)CCCC[NH2+]1 ZINC000638297384 451411787 /nfs/dbraw/zinc/41/17/87/451411787.db2.gz DGOQWCHQPBNYIG-GOSISDBHSA-N 2 0 341.496 1.104 20 0 EDADRP C[C@@H]1C[C@H](CCNC(=O)CN2CC[NH2+]CC2)C[N@@H+]1Cc1ccccc1 ZINC000638310261 451424040 /nfs/dbraw/zinc/42/40/40/451424040.db2.gz QCNCZEZCCJADJZ-MJGOQNOKSA-N 2 0 344.503 1.309 20 0 EDADRP C[C@H](C[NH2+]CC1(S(=O)(=O)NC(C)(C)C)CC1)C[NH+]1CCCC1 ZINC000638387097 451479227 /nfs/dbraw/zinc/47/92/27/451479227.db2.gz RVNSJEAAPZJBGK-CQSZACIVSA-N 2 0 331.526 1.558 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638394596 451484220 /nfs/dbraw/zinc/48/42/20/451484220.db2.gz GSRHZGBVGXHMDL-KRWDZBQOSA-N 2 0 333.476 1.898 20 0 EDADRP C[C@](O)(C[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C1CC1 ZINC000634711237 451490973 /nfs/dbraw/zinc/49/09/73/451490973.db2.gz LRLFHDGWTBHDQV-AABGKKOBSA-N 2 0 348.487 1.255 20 0 EDADRP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000638338102 451441433 /nfs/dbraw/zinc/44/14/33/451441433.db2.gz RABVWUPHMIGAKO-GUDVDZBRSA-N 2 0 345.487 1.639 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)N[C@H]1Cc2cncn2C1 ZINC000636784901 451506199 /nfs/dbraw/zinc/50/61/99/451506199.db2.gz ANIYWJMWRFARIW-IRXDYDNUSA-N 2 0 339.443 1.772 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)nnn1C1CC[NH2+]CC1 ZINC000634753623 451526699 /nfs/dbraw/zinc/52/66/99/451526699.db2.gz KGHUNMXGEYBRPD-CYBMUJFWSA-N 2 0 334.468 1.019 20 0 EDADRP C[C@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000636123964 451529329 /nfs/dbraw/zinc/52/93/29/451529329.db2.gz SYBTZIPPDOMLNT-NXHRZFHOSA-N 2 0 331.460 1.438 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000634761408 451532095 /nfs/dbraw/zinc/53/20/95/451532095.db2.gz ASEDJPGRFSWZRT-INIZCTEOSA-N 2 0 337.508 1.916 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)Cc2ccnc(OC)c2)CC1 ZINC000638555577 451574717 /nfs/dbraw/zinc/57/47/17/451574717.db2.gz YQJJQRWAAGINLA-IRXDYDNUSA-N 2 0 334.508 1.884 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC[C@H]1C(F)(F)F ZINC000638546199 451571017 /nfs/dbraw/zinc/57/10/17/451571017.db2.gz CITSPSRFCSEGDE-MCIONIFRSA-N 2 0 329.366 1.542 20 0 EDADRP C[C@H](CC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CC[NH2+]CC1 ZINC000638551178 451573073 /nfs/dbraw/zinc/57/30/73/451573073.db2.gz UXDHLLXJYPMYQO-MRVWCRGKSA-N 2 0 335.414 1.998 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccncc1Br ZINC000631113400 451591481 /nfs/dbraw/zinc/59/14/81/451591481.db2.gz GIQXXRKKBHJMHN-ZDUSSCGKSA-N 2 0 341.297 1.960 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000638675553 451645790 /nfs/dbraw/zinc/64/57/90/451645790.db2.gz VUBYLUNGKIXSOZ-AWEZNQCLSA-N 2 0 344.253 1.057 20 0 EDADRP FC(F)(F)CN1CCC(Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)CC1 ZINC000635008808 451648369 /nfs/dbraw/zinc/64/83/69/451648369.db2.gz KTANYFPLLQLHLJ-UHFFFAOYSA-N 2 0 343.397 1.930 20 0 EDADRP CNS(=O)(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000631229277 451651576 /nfs/dbraw/zinc/65/15/76/451651576.db2.gz IEIKIMKKKQASDK-RDJZCZTQSA-N 2 0 339.505 1.568 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@H]3CC[C@H](C[NH3+])CC3)n2)CC1 ZINC000632940600 451661604 /nfs/dbraw/zinc/66/16/04/451661604.db2.gz PHDGPYNZYMSEFG-OKILXGFUSA-N 2 0 334.468 1.789 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000636309556 451672412 /nfs/dbraw/zinc/67/24/12/451672412.db2.gz CNAINQXTZCSTTO-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP C[C@@H](NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000637032461 451689056 /nfs/dbraw/zinc/68/90/56/451689056.db2.gz AYOPMUVLEYGUNA-INMHGKMJSA-N 2 0 338.496 1.005 20 0 EDADRP [NH3+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000638820691 451701323 /nfs/dbraw/zinc/70/13/23/451701323.db2.gz ZCDRDNBPJROMFB-QGZVFWFLSA-N 2 0 345.491 1.324 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]CC2)CC[N@@H+]1CCOC ZINC000641032225 451735792 /nfs/dbraw/zinc/73/57/92/451735792.db2.gz HCPYBFGJLMIXJN-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP CCN(CCCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccccc1 ZINC000636493814 451735852 /nfs/dbraw/zinc/73/58/52/451735852.db2.gz KQFAAKLCCSUOOG-QGZVFWFLSA-N 2 0 334.464 1.269 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000638978354 451744884 /nfs/dbraw/zinc/74/48/84/451744884.db2.gz ZPPOFIWHFCBDPR-CQSZACIVSA-N 2 0 334.464 1.616 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@H]1OCCc2ccccc21 ZINC000638983789 451745590 /nfs/dbraw/zinc/74/55/90/451745590.db2.gz FRBFMNLCKKTRJN-SFHVURJKSA-N 2 0 338.411 1.744 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000638987549 451748139 /nfs/dbraw/zinc/74/81/39/451748139.db2.gz UXOFWHFPQBFKIO-QGZVFWFLSA-N 2 0 337.427 1.144 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)c2ccccc21 ZINC000639065315 451760958 /nfs/dbraw/zinc/76/09/58/451760958.db2.gz OZWCJRVYPMJKDZ-KBPBESRZSA-N 2 0 340.431 1.295 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccn(C(F)F)c1=O ZINC000639172331 451785003 /nfs/dbraw/zinc/78/50/03/451785003.db2.gz NXKJQOYRQHLKRS-UHFFFAOYSA-N 2 0 328.407 1.313 20 0 EDADRP [NH3+]CCCCc1cn(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641228765 451790813 /nfs/dbraw/zinc/79/08/13/451790813.db2.gz DAOWWFAEIZANJN-GOSISDBHSA-N 2 0 329.448 1.197 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)[C@H]1n1cccn1 ZINC000639212129 451792842 /nfs/dbraw/zinc/79/28/42/451792842.db2.gz BJHLJJFQGKNZJY-BRWVUGGUSA-N 2 0 336.480 1.427 20 0 EDADRP CNC(=O)CC1(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)CCCCC1 ZINC000639329296 451828457 /nfs/dbraw/zinc/82/84/57/451828457.db2.gz XIJHITSJWXSJCW-UHFFFAOYSA-N 2 0 339.524 1.898 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000644531164 451845549 /nfs/dbraw/zinc/84/55/49/451845549.db2.gz YVTBKWZYTCBTNL-KRWDZBQOSA-N 2 0 336.480 1.099 20 0 EDADRP Cc1ncccc1CNC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000637428186 451849585 /nfs/dbraw/zinc/84/95/85/451849585.db2.gz WUJXRMJBGACXEZ-SFHVURJKSA-N 2 0 345.491 1.700 20 0 EDADRP CC(C)COC[C@@H](O)C[NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000644543682 451852157 /nfs/dbraw/zinc/85/21/57/451852157.db2.gz NIGDYTMQLNDPJG-PMACEKPBSA-N 2 0 349.519 1.598 20 0 EDADRP C[C@@H](O)C[NH2+]Cc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1 ZINC000644574561 451870068 /nfs/dbraw/zinc/87/00/68/451870068.db2.gz SSSIHUHJQKWJJM-GFCCVEGCSA-N 2 0 331.382 1.928 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639553537 451941301 /nfs/dbraw/zinc/94/13/01/451941301.db2.gz GQGGFQSSVAZPEB-KRWDZBQOSA-N 2 0 332.496 1.256 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000649288747 451963956 /nfs/dbraw/zinc/96/39/56/451963956.db2.gz FCKMFBXTXPDAMN-OAHLLOKOSA-N 2 0 341.402 1.488 20 0 EDADRP COC[C@]1(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCC[NH2+]1 ZINC000649288749 451963983 /nfs/dbraw/zinc/96/39/83/451963983.db2.gz FEQPANHFFNDUOL-IBGZPJMESA-N 2 0 333.476 1.912 20 0 EDADRP CC(C)([NH3+])CCC(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000649295906 451971932 /nfs/dbraw/zinc/97/19/32/451971932.db2.gz FSGFTSGOYCIXHG-UHFFFAOYSA-N 2 0 346.475 1.840 20 0 EDADRP COC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)CCC[NH2+]1 ZINC000649307740 451985102 /nfs/dbraw/zinc/98/51/02/451985102.db2.gz DJIFLTKKJYZUPI-HXUWFJFHSA-N 2 0 345.487 1.783 20 0 EDADRP CC1(OCC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[NH2+]C1 ZINC000649310565 451987639 /nfs/dbraw/zinc/98/76/39/451987639.db2.gz URRNKPNGYDIDLF-QGZVFWFLSA-N 2 0 331.460 1.046 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000649329685 452010453 /nfs/dbraw/zinc/01/04/53/452010453.db2.gz BRUDYMXBLSBOLW-GPFWEFOESA-N 2 0 327.472 1.963 20 0 EDADRP COC[C@@]1(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC[NH2+]1 ZINC000649335479 452016302 /nfs/dbraw/zinc/01/63/02/452016302.db2.gz FIBNWAIDXAKQHS-IEBWSBKVSA-N 2 0 331.460 1.536 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCN(C4CCC4)C3=O)CC2)CC1 ZINC000639686959 452022543 /nfs/dbraw/zinc/02/25/43/452022543.db2.gz QRETUBUVZDXXIR-IBGZPJMESA-N 2 0 348.535 1.632 20 0 EDADRP COc1cc(OC)c(C[NH2+]C[C@@H](C)CN2CCOCC2)cc1F ZINC000651720162 452035660 /nfs/dbraw/zinc/03/56/60/452035660.db2.gz RTWOZKWFJQADJF-CYBMUJFWSA-N 2 0 326.412 1.901 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000649363800 452043307 /nfs/dbraw/zinc/04/33/07/452043307.db2.gz ODXZUBQYRRJUOS-MSOLQXFVSA-N 2 0 336.524 1.252 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2C[NH2+]CCOC2)CC1 ZINC000649378550 452052808 /nfs/dbraw/zinc/05/28/08/452052808.db2.gz IVDZSPTXAQEDSU-AEFFLSMTSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(CC[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1)N1CC[NH2+]CC1 ZINC000649411642 452074346 /nfs/dbraw/zinc/07/43/46/452074346.db2.gz NVVLXHAHFKXCRJ-HNNXBMFYSA-N 2 0 342.443 1.829 20 0 EDADRP Cc1cc(N2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n2ncnc2n1 ZINC000649412035 452075399 /nfs/dbraw/zinc/07/53/99/452075399.db2.gz FENVXTYVYVITRG-UHFFFAOYSA-N 2 0 343.479 1.335 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)NC[C@@H]([NH3+])c2ccccc2OC)c1 ZINC000637803146 452090674 /nfs/dbraw/zinc/09/06/74/452090674.db2.gz AHJQOOVKRXSYQG-WBVHZDCISA-N 2 0 329.400 1.520 20 0 EDADRP COc1ccc(-c2noc(C[N@@H+]3CCC4(C3)CC[NH+](C)CC4)n2)nn1 ZINC000639754562 452094782 /nfs/dbraw/zinc/09/47/82/452094782.db2.gz CFUUQDKQGFLESP-UHFFFAOYSA-N 2 0 344.419 1.453 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827232 452103626 /nfs/dbraw/zinc/10/36/26/452103626.db2.gz OBMNNLGGZGUKKP-NSHGMRRFSA-N 2 0 343.471 1.393 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000643294350 452120247 /nfs/dbraw/zinc/12/02/47/452120247.db2.gz OUOCGOKLROZWEI-OAHLLOKOSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](O)CO ZINC000643296424 452121765 /nfs/dbraw/zinc/12/17/65/452121765.db2.gz VOYZLZXBGASGMV-GOSISDBHSA-N 2 0 336.476 1.725 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC=C(c3cnn(C)c3)C2)CC1 ZINC000639797526 452134533 /nfs/dbraw/zinc/13/45/33/452134533.db2.gz METQMVJYUVGPQQ-UHFFFAOYSA-N 2 0 331.508 1.925 20 0 EDADRP O=C(N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000645106703 452155411 /nfs/dbraw/zinc/15/54/11/452155411.db2.gz GTLVFEIVUKYVGT-XKGZKEIXSA-N 2 0 327.472 1.908 20 0 EDADRP CCCN(C(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)[C@@H]1CC[N@H+](C)C1 ZINC000645126846 452165984 /nfs/dbraw/zinc/16/59/84/452165984.db2.gz QMHPMEGCZGIVCV-SJORKVTESA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)cn1 ZINC000654013267 452203976 /nfs/dbraw/zinc/20/39/76/452203976.db2.gz YRHBLBFENLCOHE-CVEARBPZSA-N 2 0 334.468 1.583 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000645222315 452219192 /nfs/dbraw/zinc/21/91/92/452219192.db2.gz XBPHWYKRSFNWHC-KRWDZBQOSA-N 2 0 340.431 1.165 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)cc1-n1cncn1 ZINC000647492604 452235530 /nfs/dbraw/zinc/23/55/30/452235530.db2.gz MPVOGACLJOFYGF-UHFFFAOYSA-N 2 0 334.855 1.258 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](O)[C@H](Oc3ccccc3)C2)CC1 ZINC000639931980 452245549 /nfs/dbraw/zinc/24/55/49/452245549.db2.gz RZCBYPQUMOOMDE-WOJBJXKFSA-N 2 0 347.503 1.527 20 0 EDADRP CCN(C(=O)NCC(C)(C)N1C[C@H](C)O[C@@H](C)C1)[C@@H]1CC[N@H+](C)C1 ZINC000663543670 452248055 /nfs/dbraw/zinc/24/80/55/452248055.db2.gz OOKBZAPXVGXRKE-HRCADAONSA-N 2 0 340.512 1.610 20 0 EDADRP O=C(CC[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)Nc1ccccc1F ZINC000647522821 452256557 /nfs/dbraw/zinc/25/65/57/452256557.db2.gz GGHPVTIAOGXZMR-OAHLLOKOSA-N 2 0 337.439 1.981 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000659428894 452271101 /nfs/dbraw/zinc/27/11/01/452271101.db2.gz IVJOVNYIRZNVDI-UHFFFAOYSA-N 2 0 328.460 1.915 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CC[C@H]1F ZINC000659433452 452279363 /nfs/dbraw/zinc/27/93/63/452279363.db2.gz JAQUZGCDKFNWSK-IAGOWNOFSA-N 2 0 334.439 1.863 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)C1 ZINC000659443336 452291070 /nfs/dbraw/zinc/29/10/70/452291070.db2.gz ZUCNMXVEXYSOCA-XLNGHYISSA-N 2 0 334.439 1.903 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@@H]1CCCc2cccnc21)N1CC[NH2+]CC1 ZINC000643530553 452293432 /nfs/dbraw/zinc/29/34/32/452293432.db2.gz KZBSXGWBXADJCP-ZIAGYGMSSA-N 2 0 328.382 1.885 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[NH+](C(C)(C)CC)CC2)C1(C)C ZINC000655494611 452294176 /nfs/dbraw/zinc/29/41/76/452294176.db2.gz LPJVWRQCOZQUJW-KDOFPFPSSA-N 2 0 325.497 1.852 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H](N)C[N@@H+](C)Cc2ccccc2)CCCC1 ZINC000638049161 452318474 /nfs/dbraw/zinc/31/84/74/452318474.db2.gz IYLMZIQDUHVMJF-QGZVFWFLSA-N 2 0 332.492 1.436 20 0 EDADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C(F)(F)F ZINC000655513886 452323042 /nfs/dbraw/zinc/32/30/42/452323042.db2.gz HMMUCWYRHQSJOL-QWHCGFSZSA-N 2 0 330.354 1.299 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652138698 452332293 /nfs/dbraw/zinc/33/22/93/452332293.db2.gz NCQASHQZHWPAKD-ZHCJQAHYSA-N 2 0 340.512 1.358 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)C[C@H]1C[NH3+] ZINC000652137306 452332410 /nfs/dbraw/zinc/33/24/10/452332410.db2.gz GOXNBOGYWSWMPF-BZUAXINKSA-N 2 0 340.512 1.502 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CC1 ZINC000652144690 452337433 /nfs/dbraw/zinc/33/74/33/452337433.db2.gz OONVPBPTHKJWLY-YQQAZPJKSA-N 2 0 338.496 1.399 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@H+](CC3CC3)C2)cc1 ZINC000663609595 452337937 /nfs/dbraw/zinc/33/79/37/452337937.db2.gz UUQNEUGODPNAFV-MRXNPFEDSA-N 2 0 344.459 1.322 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000638054994 452338633 /nfs/dbraw/zinc/33/86/33/452338633.db2.gz QHVCABJDNGPAGR-UHFFFAOYSA-N 2 0 325.416 1.461 20 0 EDADRP C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659480420 452338845 /nfs/dbraw/zinc/33/88/45/452338845.db2.gz LQOPPHIAKSVYOH-SNXQWQLTSA-N 2 0 342.487 1.948 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000665763526 452343132 /nfs/dbraw/zinc/34/31/32/452343132.db2.gz DKEXESIOEGDXGR-IRXDYDNUSA-N 2 0 341.544 1.383 20 0 EDADRP CCCN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)[C@@H]1CC[N@H+](C)C1 ZINC000665763749 452350061 /nfs/dbraw/zinc/35/00/61/452350061.db2.gz KZQJEXNBGHLCMO-DLBZAZTESA-N 2 0 341.544 1.384 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)C2CC[NH+](C(C)C)CC2)c1 ZINC000638060571 452351871 /nfs/dbraw/zinc/35/18/71/452351871.db2.gz XJICNLWSEOJOBY-GOSISDBHSA-N 2 0 333.476 1.896 20 0 EDADRP C[NH+](C)CCOC1CC[NH+](Cc2cccn(C(F)F)c2=O)CC1 ZINC000638063067 452359990 /nfs/dbraw/zinc/35/99/90/452359990.db2.gz YLQRPQZUEXMFRG-UHFFFAOYSA-N 2 0 329.391 1.786 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)[C@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000638064946 452365142 /nfs/dbraw/zinc/36/51/42/452365142.db2.gz YLLDBAKNPADHNR-FQEVSTJZSA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)c1 ZINC000638066061 452367352 /nfs/dbraw/zinc/36/73/52/452367352.db2.gz YLGFXSIJBBJCDE-HKUYNNGSSA-N 2 0 333.476 1.912 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659505805 452371432 /nfs/dbraw/zinc/37/14/32/452371432.db2.gz GLGMHOZWWWPGOL-IRXDYDNUSA-N 2 0 334.439 1.713 20 0 EDADRP [NH3+][C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000659519760 452382739 /nfs/dbraw/zinc/38/27/39/452382739.db2.gz LBEATDBELBRHBY-IRXDYDNUSA-N 2 0 332.448 1.239 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659522951 452387287 /nfs/dbraw/zinc/38/72/87/452387287.db2.gz HQNIHTSDPYRVGH-INIZCTEOSA-N 2 0 340.512 1.694 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CCO1 ZINC000659523969 452387440 /nfs/dbraw/zinc/38/74/40/452387440.db2.gz RIXAKBHLCBRDME-OAGGEKHMSA-N 2 0 326.485 1.256 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000638074456 452387557 /nfs/dbraw/zinc/38/75/57/452387557.db2.gz BCGDMYOHQFJNOC-LJQANCHMSA-N 2 0 346.519 1.779 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1 ZINC000638077532 452389874 /nfs/dbraw/zinc/38/98/74/452389874.db2.gz UDFUHBGXDSHETP-MAUKXSAKSA-N 2 0 333.476 1.803 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)C1 ZINC000638080879 452398828 /nfs/dbraw/zinc/39/88/28/452398828.db2.gz SJGHOJPOVOKHHT-HBFSDRIKSA-N 2 0 345.487 1.924 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCN(C)C[C@@H]1Cc1ccccc1 ZINC000652209090 452404729 /nfs/dbraw/zinc/40/47/29/452404729.db2.gz ZUPKYRMLGSTABN-ROUUACIJSA-N 2 0 332.492 1.928 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H](C)[C@H](C)[NH3+])cc1F ZINC000659552512 452409789 /nfs/dbraw/zinc/40/97/89/452409789.db2.gz ZHXGTRSONVNBRQ-UHXUCMFUSA-N 2 0 338.427 1.315 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000663680264 452416527 /nfs/dbraw/zinc/41/65/27/452416527.db2.gz DXNILOGINFWCCE-BBWFWOEESA-N 2 0 339.528 1.184 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000652224880 452417707 /nfs/dbraw/zinc/41/77/07/452417707.db2.gz KDHBLNRKVUNRIQ-SJORKVTESA-N 2 0 340.512 1.502 20 0 EDADRP [NH3+]C[C@H]1CCCCN1C(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659564492 452419289 /nfs/dbraw/zinc/41/92/89/452419289.db2.gz AVTHHIFVQDDOGW-GOSISDBHSA-N 2 0 345.491 1.816 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C[C@H]21 ZINC000659577322 452432515 /nfs/dbraw/zinc/43/25/15/452432515.db2.gz QGABWJWPMFFQLH-UURKPOQGSA-N 2 0 342.487 1.901 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659581012 452436535 /nfs/dbraw/zinc/43/65/35/452436535.db2.gz HLKPMDYMMJFIJM-OJIPUDJLSA-N 2 0 332.423 1.404 20 0 EDADRP C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589516 452446426 /nfs/dbraw/zinc/44/64/26/452446426.db2.gz RIEAPPDJECGHHJ-NSNWQYSKSA-N 2 0 334.439 1.663 20 0 EDADRP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)C1 ZINC000652345524 452520547 /nfs/dbraw/zinc/52/05/47/452520547.db2.gz DFWJENRLFSVJKR-RZFLPCETSA-N 2 0 337.508 1.709 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)CC1 ZINC000647789746 452522311 /nfs/dbraw/zinc/52/23/11/452522311.db2.gz KMBXPXWUNLJCQJ-GBESFXJTSA-N 3 0 343.519 1.701 20 0 EDADRP C[C@@H]1C[N@@H+](CCCC[NH2+]C2CCN([C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000655730892 452543803 /nfs/dbraw/zinc/54/38/03/452543803.db2.gz VOMVVWKSRAXIEJ-ZIFCJYIRSA-N 2 0 339.524 1.719 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2noc3c2CCCC3)C1)N1CC[NH2+]CC1 ZINC000647824977 452558435 /nfs/dbraw/zinc/55/84/35/452558435.db2.gz KJKPSLHRKMNCTR-CQSZACIVSA-N 2 0 332.448 1.197 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)Cn3cncn3)cc2)CC1 ZINC000657839607 452559249 /nfs/dbraw/zinc/55/92/49/452559249.db2.gz XANDVCNISOUXOH-QGZVFWFLSA-N 2 0 342.491 1.594 20 0 EDADRP C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000647831842 452566496 /nfs/dbraw/zinc/56/64/96/452566496.db2.gz QGACYGNHRFWDQF-LPHOPBHVSA-N 2 0 344.503 1.599 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000654496067 452569485 /nfs/dbraw/zinc/56/94/85/452569485.db2.gz IPJWZPVGEKJGEY-PQEBFOHHSA-N 2 0 338.496 1.004 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000657872826 452582208 /nfs/dbraw/zinc/58/22/08/452582208.db2.gz INIQZQMSSCRAEU-OAHLLOKOSA-N 2 0 329.448 1.413 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000657891920 452596467 /nfs/dbraw/zinc/59/64/67/452596467.db2.gz QCPVVIMTCOVOKZ-IEBWSBKVSA-N 2 0 340.508 1.909 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(c3[nH+]ccc4[nH]ccc43)CC2)C1 ZINC000647867138 452606135 /nfs/dbraw/zinc/60/61/35/452606135.db2.gz AEWRCLXSKHZVQY-INIZCTEOSA-N 2 0 343.475 1.794 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000659721495 452612369 /nfs/dbraw/zinc/61/23/69/452612369.db2.gz GWJXMRYJHROKJN-HUUCEWRRSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CCCO1 ZINC000654546197 452627925 /nfs/dbraw/zinc/62/79/25/452627925.db2.gz NIFVSINUYZWDAM-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP CN(C)C(=O)c1cccc(CC[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000647909428 452648581 /nfs/dbraw/zinc/64/85/81/452648581.db2.gz MRAZHQYDGNEGDC-UHFFFAOYSA-N 2 0 347.503 1.756 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000659751064 452648903 /nfs/dbraw/zinc/64/89/03/452648903.db2.gz JPPZTLRYICOBHI-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)c1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)CC2 ZINC000647909534 452649179 /nfs/dbraw/zinc/64/91/79/452649179.db2.gz VPBDIQZGHPLYPW-OAHLLOKOSA-N 2 0 335.496 1.541 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655909572 452666525 /nfs/dbraw/zinc/66/65/25/452666525.db2.gz BEFJWKJLVIRANT-AWEZNQCLSA-N 2 0 344.381 1.840 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(F)(F)F ZINC000655911803 452667415 /nfs/dbraw/zinc/66/74/15/452667415.db2.gz GSFHQDHESPHXIQ-AWEZNQCLSA-N 2 0 344.381 1.971 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978558 452724273 /nfs/dbraw/zinc/72/42/73/452724273.db2.gz UWCGNRXLHQZQFM-HZPDHXFCSA-N 2 0 348.491 1.563 20 0 EDADRP O=C1N[C@@H]2CCCC[C@H]2C[C@H]1[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000659861222 452742668 /nfs/dbraw/zinc/74/26/68/452742668.db2.gz RHYAITZAPSGVBF-IPMKNSEASA-N 2 0 349.519 1.868 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@]2(OCCO)CCOC2)CC1 ZINC000658148704 452757053 /nfs/dbraw/zinc/75/70/53/452757053.db2.gz OLKYUVGDSRJADC-NEWSRXKRSA-N 2 0 340.508 1.787 20 0 EDADRP COCC1(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000654691651 452813610 /nfs/dbraw/zinc/81/36/10/452813610.db2.gz SRRFWWZNUZFTDK-INIZCTEOSA-N 2 0 338.496 1.223 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCOC1 ZINC000648122843 452838843 /nfs/dbraw/zinc/83/88/43/452838843.db2.gz YVLFJNBHAURLJA-GBESFXJTSA-N 2 0 345.487 1.421 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCC[NH2+]1 ZINC000648146851 452858872 /nfs/dbraw/zinc/85/88/72/452858872.db2.gz HOQGQQYIVFMAGT-KVSKMBFKSA-N 2 0 349.450 1.404 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000654735958 452864328 /nfs/dbraw/zinc/86/43/28/452864328.db2.gz XJJREYKSGKCGPJ-SFHVURJKSA-N 2 0 333.476 1.545 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000654749390 452880390 /nfs/dbraw/zinc/88/03/90/452880390.db2.gz OXXOBXDVVNBGOU-OALUTQOASA-N 2 0 345.487 1.736 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CCc2ccc(F)cc21 ZINC000650724744 452952552 /nfs/dbraw/zinc/95/25/52/452952552.db2.gz LOTUKYXHXYAANA-HUUCEWRRSA-N 2 0 333.451 1.985 20 0 EDADRP COCCCn1nccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650725320 452954582 /nfs/dbraw/zinc/95/45/82/452954582.db2.gz YFTMREHHTOUKST-JQHSSLGASA-N 2 0 336.480 1.780 20 0 EDADRP CN1CCC([N@@H+]2CC[C@@H](NC(=O)[C@H](C[NH3+])c3ccc(F)cc3)C2)CC1 ZINC000645977870 452964913 /nfs/dbraw/zinc/96/49/13/452964913.db2.gz MGFANRHYIPRTNT-SJLPKXTDSA-N 2 0 348.466 1.153 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1)CC(F)(F)F ZINC000662262560 452992890 /nfs/dbraw/zinc/99/28/90/452992890.db2.gz HLBVWFCTQAVJRS-KBPBESRZSA-N 2 0 335.414 1.714 20 0 EDADRP C[N@H+](CCN1CCN(c2ccccc2)CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662266104 452997017 /nfs/dbraw/zinc/99/70/17/452997017.db2.gz XMEZNXQLRZAFPQ-LJQANCHMSA-N 2 0 344.503 1.261 20 0 EDADRP O=S1(=O)CCCN1[C@H]1CCC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281138 453004134 /nfs/dbraw/zinc/00/41/34/453004134.db2.gz UATAFMLMSDWPBW-KRWDZBQOSA-N 2 0 349.500 1.332 20 0 EDADRP COc1cc(NC(=O)CCN2CC3CC2(C[NH3+])C3)cc(OC)c1OC ZINC000662305076 453025307 /nfs/dbraw/zinc/02/53/07/453025307.db2.gz YLCQEEKFKILQHK-UHFFFAOYSA-N 2 0 349.431 1.464 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000662338959 453056957 /nfs/dbraw/zinc/05/69/57/453056957.db2.gz XQRIDKBMMWYSKE-INIZCTEOSA-N 2 0 326.448 1.594 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662351052 453067336 /nfs/dbraw/zinc/06/73/36/453067336.db2.gz IJJJCLSYWUSPTB-AWEZNQCLSA-N 2 0 334.468 1.197 20 0 EDADRP Cc1noc(C)c1[C@H](C)CNC(=O)NCCN(C)CCC[NH+](C)C ZINC000664511545 453153533 /nfs/dbraw/zinc/15/35/33/453153533.db2.gz NCKPGJNZAAYFSI-CYBMUJFWSA-N 2 0 339.484 1.578 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662449678 453158222 /nfs/dbraw/zinc/15/82/22/453158222.db2.gz PPAQWIHLNVYRSH-QAPCUYQASA-N 2 0 344.503 1.431 20 0 EDADRP O=C(c1cccc2c1C[NH2+]C2)N1CC[NH+](CC2CCOCC2)CC1 ZINC000662467742 453178045 /nfs/dbraw/zinc/17/80/45/453178045.db2.gz ZULSKCCXBIGAFM-UHFFFAOYSA-N 2 0 329.444 1.474 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2cc([C@@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448910 453189794 /nfs/dbraw/zinc/18/97/94/453189794.db2.gz PQFQMFHOZCIFLM-AEFFLSMTSA-N 2 0 329.448 1.683 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000662477484 453191494 /nfs/dbraw/zinc/19/14/94/453191494.db2.gz GSXUFFJMIVSLFH-HNNXBMFYSA-N 2 0 346.479 1.151 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000662491252 453207679 /nfs/dbraw/zinc/20/76/79/453207679.db2.gz DFGNLOPLGOZQNG-MAUKXSAKSA-N 2 0 329.444 1.402 20 0 EDADRP COCCOc1cc2c(cc1C[NH2+][C@@H]1CC13CC[NH2+]CC3)OCO2 ZINC000666952277 453276204 /nfs/dbraw/zinc/27/62/04/453276204.db2.gz NSVXFBHHKSSIBY-QGZVFWFLSA-N 2 0 334.416 1.672 20 0 EDADRP C[C@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666954587 453278749 /nfs/dbraw/zinc/27/87/49/453278749.db2.gz YKTZLTNOOLZTCR-CZUORRHYSA-N 2 0 327.428 1.793 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000666972560 453288039 /nfs/dbraw/zinc/28/80/39/453288039.db2.gz ARPLDLMBKLUHRL-QGZVFWFLSA-N 2 0 336.480 1.119 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[NH+]1CCOCC1 ZINC000653108218 453292263 /nfs/dbraw/zinc/29/22/63/453292263.db2.gz OAVNQQFHFZWTJM-GVDBMIGSSA-N 2 0 325.497 1.757 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]12C[NH2+]C[C@H]1COC2)Cc1ccccc1 ZINC000653109706 453296006 /nfs/dbraw/zinc/29/60/06/453296006.db2.gz KBSAOQPRZLEOIA-NSHGMRRFSA-N 2 0 345.487 1.292 20 0 EDADRP [NH3+]Cc1cn([C@@H]2CCCN(C(=O)C[C@@H]3[NH2+]Cc4ccccc43)C2)nn1 ZINC000662576427 453303705 /nfs/dbraw/zinc/30/37/05/453303705.db2.gz XMIJSUFAXWRYLF-WBVHZDCISA-N 2 0 340.431 1.135 20 0 EDADRP C[C@H]1C[C@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1Cc1ccccc1 ZINC000653122340 453312705 /nfs/dbraw/zinc/31/27/05/453312705.db2.gz UFWUDDOHOLGGGD-XPYUAMARSA-N 2 0 329.444 1.002 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@H](N)CC[NH+](C)C)CC2)CC1 ZINC000653123324 453315356 /nfs/dbraw/zinc/31/53/56/453315356.db2.gz VGYYFIBXTBIMIL-DAWZGUTISA-N 2 0 338.540 1.624 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCC[NH2+]CC2)c2ccccc2)CC1 ZINC000653125267 453319945 /nfs/dbraw/zinc/31/99/45/453319945.db2.gz UYYSRMOPXONGOY-MOPGFXCFSA-N 2 0 344.503 1.481 20 0 EDADRP O=C(NCC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000662615270 453336248 /nfs/dbraw/zinc/33/62/48/453336248.db2.gz YSWAZXRPDFCFCP-ZWKOTPCHSA-N 2 0 335.492 1.524 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)CCCO1 ZINC000664757000 453381550 /nfs/dbraw/zinc/38/15/50/453381550.db2.gz YUIJKMHNDYOQDC-HOTGVXAUSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000653192293 453382526 /nfs/dbraw/zinc/38/25/26/453382526.db2.gz KHVRSIDRMDSKMT-YRXWBPOGSA-N 2 0 343.471 1.446 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CC1)C1CCOCC1 ZINC000651246758 453392190 /nfs/dbraw/zinc/39/21/90/453392190.db2.gz LFYASONBJOYEMW-KRWDZBQOSA-N 2 0 340.512 1.326 20 0 EDADRP CC(C)(CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000662679870 453399518 /nfs/dbraw/zinc/39/95/18/453399518.db2.gz QQYKJRZKMQVQMY-IAGOWNOFSA-N 2 0 331.460 1.303 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC4CC3(C[NH3+])C4)cc2)CC1 ZINC000662680658 453400400 /nfs/dbraw/zinc/40/04/00/453400400.db2.gz XVIFVULDQIJIJR-UHFFFAOYSA-N 2 0 328.460 1.392 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)C[C@@H](C)O1 ZINC000662687620 453409035 /nfs/dbraw/zinc/40/90/35/453409035.db2.gz HPLJMKRJXWCEDO-KFWWJZLASA-N 2 0 349.479 1.106 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000662718328 453441563 /nfs/dbraw/zinc/44/15/63/453441563.db2.gz YPGCFAZLYCLOML-KOHRHEQBSA-N 2 0 331.435 1.906 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667156051 453443810 /nfs/dbraw/zinc/44/38/10/453443810.db2.gz LRZBHCASEVAWSK-CYBMUJFWSA-N 2 0 332.448 1.116 20 0 EDADRP [NH3+][C@@H](CC(=O)N1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000653261497 453444433 /nfs/dbraw/zinc/44/44/33/453444433.db2.gz SGOBYGDWLCCCKB-OWSLCNJRSA-N 2 0 331.460 1.964 20 0 EDADRP [NH3+]C[C@H]1OCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000662733693 453458751 /nfs/dbraw/zinc/45/87/51/453458751.db2.gz VJYQYOLTYAMIFP-HUUCEWRRSA-N 2 0 341.521 1.218 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000664898063 453470138 /nfs/dbraw/zinc/47/01/38/453470138.db2.gz XXWQULHHBLFJNV-WMLDXEAASA-N 2 0 334.464 1.003 20 0 EDADRP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(C(N)=O)cc1)C2 ZINC000660656757 453492550 /nfs/dbraw/zinc/49/25/50/453492550.db2.gz NYCHTLLUAZQWAP-LJQANCHMSA-N 2 0 344.459 1.532 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662756538 453494146 /nfs/dbraw/zinc/49/41/46/453494146.db2.gz IQKQRFNELBETBB-INIZCTEOSA-N 2 0 344.503 1.336 20 0 EDADRP [NH3+]C1(CC(=O)NCCCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000662759414 453498619 /nfs/dbraw/zinc/49/86/19/453498619.db2.gz VYZLDPHEULLGFP-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000664935201 453499796 /nfs/dbraw/zinc/49/97/96/453499796.db2.gz FKCHHNXVBURHRS-DOTOQJQBSA-N 2 0 340.512 1.347 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000646604523 453508669 /nfs/dbraw/zinc/50/86/69/453508669.db2.gz OZAZRCRGEGPWMB-IAGOWNOFSA-N 2 0 325.412 1.698 20 0 EDADRP CN(CC[N@H+](C)C1CCCCC1)C(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662788630 453522371 /nfs/dbraw/zinc/52/23/71/453522371.db2.gz PJKCLXOQEKQJNU-UHFFFAOYSA-N 2 0 348.495 1.539 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000655445687 453531680 /nfs/dbraw/zinc/53/16/80/453531680.db2.gz ISKDTZBNNGDMGG-APWZRJJASA-N 2 0 331.460 1.633 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662866564 453579652 /nfs/dbraw/zinc/57/96/52/453579652.db2.gz NAROQFXHNYYJJX-ULQDDVLXSA-N 2 0 331.435 1.777 20 0 EDADRP O=C(Nc1ccc([C@@H]2C[NH2+]CCO2)cc1)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000659034352 453590284 /nfs/dbraw/zinc/59/02/84/453590284.db2.gz LYAWKQCTTGGVJH-ROUUACIJSA-N 2 0 344.459 1.953 20 0 EDADRP CN(C(=O)c1ccccc1CC[NH3+])[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662901270 453595256 /nfs/dbraw/zinc/59/52/56/453595256.db2.gz VCDMRVMYVPTTCK-GOSISDBHSA-N 2 0 344.503 1.428 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000660837087 453598213 /nfs/dbraw/zinc/59/82/13/453598213.db2.gz IFROJTYPNGUFDL-DOTOQJQBSA-N 2 0 338.496 1.269 20 0 EDADRP COc1ccccc1[C@@H](N)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000662914799 453600427 /nfs/dbraw/zinc/60/04/27/453600427.db2.gz GLZUNZVCUNFLHS-WMLDXEAASA-N 2 0 333.432 1.065 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000660844912 453602774 /nfs/dbraw/zinc/60/27/74/453602774.db2.gz WYNBAGPTZYRUAH-OAHLLOKOSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@H](O)C2)CC1 ZINC000665217626 453611208 /nfs/dbraw/zinc/61/12/08/453611208.db2.gz PISGHKOYNXHMQD-KRWDZBQOSA-N 2 0 340.512 1.205 20 0 EDADRP CO[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCOC1 ZINC000665235266 453618625 /nfs/dbraw/zinc/61/86/25/453618625.db2.gz SVXFADPHJVAOCG-YCEFEEMOSA-N 2 0 332.444 1.883 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236413 453619181 /nfs/dbraw/zinc/61/91/81/453619181.db2.gz MAPCGVYJISPZHF-NSHDSACASA-N 2 0 343.269 1.681 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659098044 453630604 /nfs/dbraw/zinc/63/06/04/453630604.db2.gz XQGZVFTVVTWORF-UHFFFAOYSA-N 2 0 346.475 1.855 20 0 EDADRP CC[C@H](NC[C@@H]1C[N@H+](C)CCN1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000665285634 453635792 /nfs/dbraw/zinc/63/57/92/453635792.db2.gz SETBQRWUPHCIAN-AABGKKOBSA-N 2 0 330.520 1.923 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000665289776 453636683 /nfs/dbraw/zinc/63/66/83/453636683.db2.gz XBKANTXTTGHVOY-KSZLIROESA-N 3 0 336.524 1.439 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000663003298 453643405 /nfs/dbraw/zinc/64/34/05/453643405.db2.gz LISKOHMVEKLLKM-UKRRQHHQSA-N 2 0 333.398 1.767 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N(C)CC1C[NH+](C)C1 ZINC000661030782 453687044 /nfs/dbraw/zinc/68/70/44/453687044.db2.gz ZLKPIADAMUZRCB-QAPCUYQASA-N 2 0 330.476 1.710 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000659307084 453708786 /nfs/dbraw/zinc/70/87/86/453708786.db2.gz LCTDGTMYVVRRMC-DOTOQJQBSA-N 2 0 344.459 1.067 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000659354730 453726268 /nfs/dbraw/zinc/72/62/68/453726268.db2.gz GGPFJCXPGIBPQZ-MJQMVNBJSA-N 2 0 331.435 1.777 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O ZINC000665637916 453777898 /nfs/dbraw/zinc/77/78/98/453777898.db2.gz SRMLAMXFLUUFFP-JCGIZDLHSA-N 2 0 348.491 1.216 20 0 EDADRP CCN(C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000663443324 453800181 /nfs/dbraw/zinc/80/01/81/453800181.db2.gz DBXANGFLFGJFPA-ZWKOTPCHSA-N 2 0 332.492 1.895 20 0 EDADRP O=C([C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1)N1CCOC2(C[NH2+]C2)C1 ZINC000663493868 453810164 /nfs/dbraw/zinc/81/01/64/453810164.db2.gz MEDCPXOYHPWTBG-MRXNPFEDSA-N 2 0 347.434 1.239 20 0 EDADRP CN(c1ccccc1)[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000663499986 453810935 /nfs/dbraw/zinc/81/09/35/453810935.db2.gz HOKNDLFKNVIXKB-SJLPKXTDSA-N 2 0 330.476 1.394 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(S(C)(=O)=O)CC2)cc1 ZINC000684419581 486775406 /nfs/dbraw/zinc/77/54/06/486775406.db2.gz OXYFXTDOGKKIAF-UHFFFAOYSA-N 2 0 326.462 1.294 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000416981230 486790439 /nfs/dbraw/zinc/79/04/39/486790439.db2.gz VBVMCDHHJSRRTF-HOCLYGCPSA-N 2 0 331.464 1.615 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000683725175 486801595 /nfs/dbraw/zinc/80/15/95/486801595.db2.gz SCYFUJRFTGQWNE-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[NH2+][C@@H](C(C)C)C2)ccc1C[NH+](C)C ZINC000667520670 486820484 /nfs/dbraw/zinc/82/04/84/486820484.db2.gz XRJHNYRNQKZZFR-QGZVFWFLSA-N 2 0 346.475 1.452 20 0 EDADRP CC(C)[NH+](CCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1)C(C)C ZINC000672913247 486838436 /nfs/dbraw/zinc/83/84/36/486838436.db2.gz PYRYAHLDQDDTDC-UHFFFAOYSA-N 2 0 342.528 1.593 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)CC1 ZINC000680890539 486886464 /nfs/dbraw/zinc/88/64/64/486886464.db2.gz INYALSPIDKDDOU-KRWDZBQOSA-N 2 0 330.476 1.547 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667732355 486938077 /nfs/dbraw/zinc/93/80/77/486938077.db2.gz IFIKBZKQMSMARO-UHFFFAOYSA-N 2 0 333.480 1.683 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)Nc2cnc3c(c2)C[NH2+]CC3)CCCO1 ZINC000667804528 486974164 /nfs/dbraw/zinc/97/41/64/486974164.db2.gz BGNDCPIQGNEQRV-CQSZACIVSA-N 2 0 347.463 1.350 20 0 EDADRP [NH3+][C@H]1CCc2ncc(NC(=O)N3CCC[C@H]([NH+]4CCCC4)C3)cc2C1 ZINC000667806968 486974589 /nfs/dbraw/zinc/97/45/89/486974589.db2.gz CHKRNIINVCJLBC-RDJZCZTQSA-N 2 0 343.475 1.990 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)CC1 ZINC000667888675 487008724 /nfs/dbraw/zinc/00/87/24/487008724.db2.gz ALYKXCIVHOMIQD-IRXDYDNUSA-N 2 0 337.508 1.770 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000684368789 487039540 /nfs/dbraw/zinc/03/95/40/487039540.db2.gz UGZUMTXLMFVXPP-CQSZACIVSA-N 2 0 333.436 1.016 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CC[NH+](C(C)(C)CO)CC1)c1ccccc1 ZINC000667972818 487041267 /nfs/dbraw/zinc/04/12/67/487041267.db2.gz NIYPTDJAQPQNAR-KRWDZBQOSA-N 2 0 333.476 1.595 20 0 EDADRP CC[C@@H](C(=O)N1CCC[N@H+](C[C@H]2CCCO2)CC1)[NH+](CC)CC ZINC000673650346 487076463 /nfs/dbraw/zinc/07/64/63/487076463.db2.gz NZOYWCMORHPYFC-SJORKVTESA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)[C@H]1CC[NH+](C2CCN(C)CC2)C1 ZINC000673669310 487084093 /nfs/dbraw/zinc/08/40/93/487084093.db2.gz HBCAYFSMKQATRS-JZXOWHBKSA-N 2 0 336.524 1.486 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000678033947 487230649 /nfs/dbraw/zinc/23/06/49/487230649.db2.gz GZKJORKLHRTWKO-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000682613059 487397306 /nfs/dbraw/zinc/39/73/06/487397306.db2.gz FJPHVGSTRXGNFE-GOSISDBHSA-N 2 0 348.491 1.481 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)C1(C)C ZINC000669519992 485485395 /nfs/dbraw/zinc/48/53/95/485485395.db2.gz ZUXHXXRPTCDWTC-NNFUDEMPSA-N 2 0 337.508 1.757 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000669529843 485504827 /nfs/dbraw/zinc/50/48/27/485504827.db2.gz GQFWVIDBGOMFFH-KRWDZBQOSA-N 2 0 333.480 1.735 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C(C)C ZINC000668348536 485616345 /nfs/dbraw/zinc/61/63/45/485616345.db2.gz WLLZQMDTDAAUQF-OAHLLOKOSA-N 2 0 340.512 1.210 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC/C=C/C[NH3+])[NH+]2CCCC2)cc1 ZINC000668592646 485928819 /nfs/dbraw/zinc/92/88/19/485928819.db2.gz KOGRUZYWUQXKPB-RCAFFNEUSA-N 2 0 332.448 1.646 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCO1 ZINC000669297630 485939042 /nfs/dbraw/zinc/93/90/42/485939042.db2.gz NEWWKIMFKFUMTP-BPUTZDHNSA-N 2 0 326.485 1.255 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[NH2+]CCCO1)c1ccsc1 ZINC000669300946 485944279 /nfs/dbraw/zinc/94/42/79/485944279.db2.gz HQHBXVZCZAXUCO-ZIAGYGMSSA-N 2 0 326.466 1.029 20 0 EDADRP COc1cc(CNC(=O)CC2([NH3+])CCC2)ccc1OCC[NH+](C)C ZINC000237336332 485976004 /nfs/dbraw/zinc/97/60/04/485976004.db2.gz UUMSWHBVVAANTB-UHFFFAOYSA-N 2 0 335.448 1.523 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000668649574 485994110 /nfs/dbraw/zinc/99/41/10/485994110.db2.gz VFTTWMBOJZISGU-FGTMMUONSA-N 2 0 332.492 1.928 20 0 EDADRP Cc1ccn2cnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c2c1 ZINC000668666829 486017158 /nfs/dbraw/zinc/01/71/58/486017158.db2.gz NGEUQLIWILCPAA-UHFFFAOYSA-N 2 0 345.491 1.988 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N2CC[C@@H](C[NH3+])C2)[NH+]2CCCC2)c1 ZINC000668677995 486032917 /nfs/dbraw/zinc/03/29/17/486032917.db2.gz ASUKPWKDJMOAMJ-MAUKXSAKSA-N 2 0 346.475 1.822 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000669474136 486228150 /nfs/dbraw/zinc/22/81/50/486228150.db2.gz CRILREUXVAPCTG-KBAYOESNSA-N 2 0 330.476 1.900 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)CCO1 ZINC000669483799 486250116 /nfs/dbraw/zinc/25/01/16/486250116.db2.gz NBZRYBCTKRBZPA-ZWKOTPCHSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H](NC(=O)NCCC[NH2+]Cc1cccnc1)C1CC[NH+](C)CC1 ZINC000669490551 486262607 /nfs/dbraw/zinc/26/26/07/486262607.db2.gz NOVLCGKTDUGKGL-OAHLLOKOSA-N 2 0 333.480 1.591 20 0 EDADRP CC[C@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[C@@H]1[NH3+] ZINC000669496425 486270793 /nfs/dbraw/zinc/27/07/93/486270793.db2.gz NHECAVRMMAFJBH-YJBOKZPZSA-N 2 0 344.503 1.854 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000669508722 486292001 /nfs/dbraw/zinc/29/20/01/486292001.db2.gz KYWDVPHEKVXEOG-SFHVURJKSA-N 2 0 339.439 1.813 20 0 EDADRP CC(C)[NH2+][C@H]1CCCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)C1 ZINC000670503907 486599051 /nfs/dbraw/zinc/59/90/51/486599051.db2.gz FSBPTKZJPOAGMC-INIZCTEOSA-N 2 0 340.512 1.210 20 0 EDADRP C[C@H]1CCCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C[NH3+] ZINC000262018298 486648791 /nfs/dbraw/zinc/64/87/91/486648791.db2.gz IHMWAKKHPMHZTJ-XJKSGUPXSA-N 2 0 325.478 1.496 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000668475768 491176282 /nfs/dbraw/zinc/17/62/82/491176282.db2.gz WILOLXMNTIKOJQ-XHSDSOJGSA-N 2 0 333.542 1.204 20 0 EDADRP O=C(NCC[NH+]1CCCC1)c1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000168750116 534325757 /nfs/dbraw/zinc/32/57/57/534325757.db2.gz CNGWRNJXXXHWHS-OAHLLOKOSA-N 2 0 330.432 1.060 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000183942989 528543541 /nfs/dbraw/zinc/54/35/41/528543541.db2.gz YJBDSUCNMBBNBQ-SFHVURJKSA-N 2 0 333.476 1.472 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C[C@@H]1CSCC[NH2+]1)[NH+]1CCOCC1 ZINC000236663599 535102858 /nfs/dbraw/zinc/10/28/58/535102858.db2.gz NBXSTJGWRYOJLS-HZPDHXFCSA-N 2 0 343.537 1.335 20 0 EDADRP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)C1 ZINC000245861781 535171502 /nfs/dbraw/zinc/17/15/02/535171502.db2.gz IUPXORIYAQKFHR-IXDOHACOSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000333388952 535330790 /nfs/dbraw/zinc/33/07/90/535330790.db2.gz ONBRFHINIBESBX-JKSUJKDBSA-N 2 0 338.496 1.127 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000236888856 535355478 /nfs/dbraw/zinc/35/54/78/535355478.db2.gz UHYQVCYXMDZGAO-SFHVURJKSA-N 2 0 332.492 1.681 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C(C)C)c1 ZINC000345392989 535594142 /nfs/dbraw/zinc/59/41/42/535594142.db2.gz GAOIONMCRPFTGD-KRWDZBQOSA-N 2 0 335.496 1.952 20 0 EDADRP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1ccc(F)cn1 ZINC000352784373 535803528 /nfs/dbraw/zinc/80/35/28/535803528.db2.gz TVRARBGVZDDZIY-QGZVFWFLSA-N 2 0 338.471 1.652 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1cnc2c(c1)C[C@H]([NH3+])CC2 ZINC000333280062 535874136 /nfs/dbraw/zinc/87/41/36/535874136.db2.gz HLEOZYWEBVVNER-DJIMGWMZSA-N 2 0 343.475 1.988 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@@H]([NH3+])c2ccccc2)cc1 ZINC000262042647 536018882 /nfs/dbraw/zinc/01/88/82/536018882.db2.gz LMYXJTWUAFCJLV-QGZVFWFLSA-N 2 0 333.457 1.727 20 0 EDADRP C[NH2+][C@@H](C)Cc1noc(-c2ccc(CN3CC[NH+](C)CC3)cc2)n1 ZINC000261733093 536346044 /nfs/dbraw/zinc/34/60/44/536346044.db2.gz KKFFYGIBHYMRIE-AWEZNQCLSA-N 2 0 329.448 1.634 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000262401963 536656099 /nfs/dbraw/zinc/65/60/99/536656099.db2.gz ZTIQXTXWRJYLLG-QGZVFWFLSA-N 2 0 331.460 1.475 20 0 EDADRP COCC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]CC1 ZINC000261777943 536825216 /nfs/dbraw/zinc/82/52/16/536825216.db2.gz SDSPNVZJUBVKSP-SFHVURJKSA-N 2 0 345.487 1.783 20 0 EDADRP Cc1ccccc1[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000741784180 579428234 /nfs/dbraw/zinc/42/82/34/579428234.db2.gz HAKFSNDQQAQIPK-LJQANCHMSA-N 2 0 340.471 1.965 20 0 EDADRP CC[C@@H](CO)[NH2+]CC(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1 ZINC000727057582 578512177 /nfs/dbraw/zinc/51/21/77/578512177.db2.gz ALKPHWQDSCWPOS-HNNXBMFYSA-N 2 0 334.464 1.128 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CCCCC1 ZINC000729495753 578577514 /nfs/dbraw/zinc/57/75/14/578577514.db2.gz IJCUYSOKUIAGDC-HZPDHXFCSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CN(C)CCO2)CC[N@@H+]1CC1(O)CCCCC1 ZINC000729930961 578602991 /nfs/dbraw/zinc/60/29/91/578602991.db2.gz SMSROMOIDMCGBZ-SJORKVTESA-N 2 0 325.497 1.018 20 0 EDADRP CN1CC[N@H+](C)C[C@H]1CNC(=O)NCCCCCCC[NH+](C)C ZINC000732456362 578713614 /nfs/dbraw/zinc/71/36/14/578713614.db2.gz OVAJUASOROOTLY-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP C[C@H](CNC(=O)NCCN1CCO[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000732459552 578713629 /nfs/dbraw/zinc/71/36/29/578713629.db2.gz XAIYLKRZAVAOPS-IAGOWNOFSA-N 2 0 348.491 1.527 20 0 EDADRP C[NH+](C)C[C@@H]1CCN(C(=O)Nc2ccccc2N2CC[NH+](C)CC2)C1 ZINC000733333624 578760082 /nfs/dbraw/zinc/76/00/82/578760082.db2.gz JEKNBVRJYPBIMZ-INIZCTEOSA-N 2 0 345.491 1.854 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CCN(CC[NH+]2CCCC2)CC1 ZINC000760815475 580038765 /nfs/dbraw/zinc/03/87/65/580038765.db2.gz BGUPDANBUXEIOD-UHFFFAOYSA-N 2 0 338.540 1.642 20 0 EDADRP CN1CCC([NH2+]CCSCc2ccccc2-c2nn[nH]n2)CC1 ZINC000736854481 579026667 /nfs/dbraw/zinc/02/66/67/579026667.db2.gz FBHNECVWXMCIQS-UHFFFAOYSA-N 2 0 332.477 1.784 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=S)NCC[NH+](C)C)CC1 ZINC000747717384 579655526 /nfs/dbraw/zinc/65/55/26/579655526.db2.gz NNZRVNUTPRVHKK-AWEZNQCLSA-N 2 0 335.521 1.633 20 0 EDADRP CC(C)[C@]1(C)NC(=O)N(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C1=O ZINC000755782106 579934915 /nfs/dbraw/zinc/93/49/15/579934915.db2.gz YBVPKUXELJQXKD-QAPCUYQASA-N 2 0 336.480 1.574 20 0 EDADRP CN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000775372661 580389513 /nfs/dbraw/zinc/38/95/13/580389513.db2.gz FTCYSTJIITXBAA-OWCLPIDISA-N 2 0 329.579 1.983 20 0 EDADRP Cn1nc(Br)cc1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000785423052 580643583 /nfs/dbraw/zinc/64/35/83/580643583.db2.gz UQONLTDBLNGRDZ-UHFFFAOYSA-N 2 0 344.301 1.298 20 0 EDADRP CCOCCCN1CC[C@H]([NH2+]CCS(=O)(=O)C(C)C)[C@H](C)C1 ZINC000787303951 580692321 /nfs/dbraw/zinc/69/23/21/580692321.db2.gz NOZNFAPRNMTOEP-CVEARBPZSA-N 2 0 334.526 1.536 20 0 EDADRP C[NH+]1CCC2(CCC[N@H+](CC(=O)NC(=O)NC3CCCC3)C2)CC1 ZINC000799178561 581021373 /nfs/dbraw/zinc/02/13/73/581021373.db2.gz UIDDFORZYOCEKD-UHFFFAOYSA-N 2 0 336.480 1.563 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)cc1 ZINC000891816303 590634430 /nfs/dbraw/zinc/63/44/30/590634430.db2.gz VKVZRKPGHHXCNU-WMZOPIPTSA-N 2 0 346.475 1.473 20 0 EDADRP CNC(=O)[C@H](Cc1c[nH]c2ccccc12)[NH2+]CC1CC[NH+](C)CC1 ZINC000893046737 590635216 /nfs/dbraw/zinc/63/52/16/590635216.db2.gz HRAMLXOCGRSAMF-SFHVURJKSA-N 2 0 328.460 1.756 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2CO)CC1 ZINC000893048626 590636120 /nfs/dbraw/zinc/63/61/20/590636120.db2.gz SQRMCGAZRABSEW-PMACEKPBSA-N 2 0 331.504 1.801 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccnn2C2CCC2)CC1 ZINC000891834825 590644370 /nfs/dbraw/zinc/64/43/70/590644370.db2.gz WBZWRWOJJCYLFY-UHFFFAOYSA-N 2 0 333.480 1.498 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N2C[C@@H]3C[NH2+]C[C@]3(C)C2)cc1 ZINC000891835128 590644384 /nfs/dbraw/zinc/64/43/84/590644384.db2.gz DYUITITVKDQLCH-PKOBYXMFSA-N 2 0 330.476 1.542 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2)CCC(F)(F)F ZINC000891857236 590658076 /nfs/dbraw/zinc/65/80/76/590658076.db2.gz SPCGRQVSDMTRIM-OCCSQVGLSA-N 2 0 336.402 1.845 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)NC[C@H]2C[NH2+]CCC2(F)F)CCCO1 ZINC000891857712 590659916 /nfs/dbraw/zinc/65/99/16/590659916.db2.gz DQFLCFHUSMNGQS-ZIAGYGMSSA-N 2 0 348.438 1.031 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+][C@@H]2CCC3(C[C@H]2F)OCCO3)CC1 ZINC000893106345 590664475 /nfs/dbraw/zinc/66/44/75/590664475.db2.gz PHOZZGYJFKXVNU-HUUCEWRRSA-N 2 0 330.444 1.445 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)Cc2ccccc2C1 ZINC000893191993 590703871 /nfs/dbraw/zinc/70/38/71/590703871.db2.gz RSGQODPSJZMTEO-HDICACEKSA-N 2 0 342.487 1.289 20 0 EDADRP CC(C)C[C@H]([NH2+]C[C@H]1C[C@@]1(C)Br)C(=O)NCC[NH+](C)C ZINC000893260835 590741013 /nfs/dbraw/zinc/74/10/13/590741013.db2.gz RIWLSYCOPAEIAV-VNHYZAJKSA-N 2 0 348.329 1.842 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000892053161 590773563 /nfs/dbraw/zinc/77/35/63/590773563.db2.gz JKVXJEQWKRFRPJ-RYQLBKOJSA-N 2 0 330.476 1.887 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+]CCCN2CCC[N@H+](C)CC2)s1 ZINC000893318146 590775894 /nfs/dbraw/zinc/77/58/94/590775894.db2.gz LAAXBASZGUWILE-UHFFFAOYSA-N 2 0 340.493 1.437 20 0 EDADRP C[C@@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000892059261 590776390 /nfs/dbraw/zinc/77/63/90/590776390.db2.gz AJVBZLPKDVABIA-QAPCUYQASA-N 2 0 331.464 1.691 20 0 EDADRP C[NH+]1CCN(CCC[NH2+]C2CN(C(=O)OCc3ccccc3)C2)CC1 ZINC000893323577 590778569 /nfs/dbraw/zinc/77/85/69/590778569.db2.gz HFOHEGSECAHUKQ-UHFFFAOYSA-N 2 0 346.475 1.235 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000892066112 590781231 /nfs/dbraw/zinc/78/12/31/590781231.db2.gz YOMQLCSHXVGJQF-QFBILLFUSA-N 2 0 342.487 1.973 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H](C[NH3+])C2CCCC2)c1 ZINC000892091141 590794155 /nfs/dbraw/zinc/79/41/55/590794155.db2.gz IXUZCFKVUIQDSD-ZWKOTPCHSA-N 2 0 346.475 1.869 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000892163278 590834328 /nfs/dbraw/zinc/83/43/28/590834328.db2.gz LYXMYCBKRQZUKD-JKSUJKDBSA-N 2 0 331.464 1.834 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2C[C@@H]3C[N@H+](C)C[C@]3(C)C2)CCSC1 ZINC000893413793 590855177 /nfs/dbraw/zinc/85/51/77/590855177.db2.gz XRZRSOTTYVSZSZ-IMJJTQAJSA-N 2 0 326.510 1.017 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2CCO)[NH+]1CCCCC1 ZINC000892204053 590863854 /nfs/dbraw/zinc/86/38/54/590863854.db2.gz HTNFEHLTHFKVJE-IXDOHACOSA-N 2 0 338.496 1.101 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000892211730 590865901 /nfs/dbraw/zinc/86/59/01/590865901.db2.gz MDBFWCDPNBGBQZ-WMZOPIPTSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000892251575 590887149 /nfs/dbraw/zinc/88/71/49/590887149.db2.gz BUNGIPGNRUUUJT-RSRPTUBKSA-N 2 0 342.487 1.962 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000892255345 590889560 /nfs/dbraw/zinc/88/95/60/590889560.db2.gz GGCKGPAGHRJCAO-LSTDLKDCSA-N 2 0 346.450 1.855 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000892266390 590899198 /nfs/dbraw/zinc/89/91/98/590899198.db2.gz GUQJRODLEADSRS-SJORKVTESA-N 2 0 344.459 1.493 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000892274531 590906318 /nfs/dbraw/zinc/90/63/18/590906318.db2.gz ORFQRIUKUWDCSZ-GOEBONIOSA-N 2 0 329.448 1.586 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)c1 ZINC000892295648 590921758 /nfs/dbraw/zinc/92/17/58/590921758.db2.gz RNNQJZNMLANLRD-LXZKKBNFSA-N 2 0 332.448 1.492 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892343425 590971455 /nfs/dbraw/zinc/97/14/55/590971455.db2.gz QGLNKZSEYDJSLI-IEBWSBKVSA-N 2 0 342.487 1.958 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000892401094 591012526 /nfs/dbraw/zinc/01/25/26/591012526.db2.gz YUZOEHWREAADIM-QZTJIDSGSA-N 2 0 332.492 1.930 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)N3CCC[C@@H]4[NH2+]CC[C@H]43)CC2)CC1 ZINC000891459551 591078494 /nfs/dbraw/zinc/07/84/94/591078494.db2.gz AXGWLPXJEAWJEY-ZWKOTPCHSA-N 3 0 349.523 1.081 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892592507 591084657 /nfs/dbraw/zinc/08/46/57/591084657.db2.gz AEIHZTFQNPYQRK-LVQVYYBASA-N 2 0 338.496 1.004 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000891508533 591098686 /nfs/dbraw/zinc/09/86/86/591098686.db2.gz NNVAQMYRCZKFIG-KZNAEPCWSA-N 2 0 330.476 1.588 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NCc2nccn2C)c1 ZINC000891507616 591099705 /nfs/dbraw/zinc/09/97/05/591099705.db2.gz JJZUYMGTDGWMNW-HNNXBMFYSA-N 2 0 329.404 1.285 20 0 EDADRP CC1(C)COCCN1CCNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891507421 591099777 /nfs/dbraw/zinc/09/97/77/591099777.db2.gz QZZMIICRIUURMK-SFHVURJKSA-N 2 0 338.496 1.272 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[N@@H+]2CC[C@@H](C)C2)[NH+](C)C)c1 ZINC000891539041 591113611 /nfs/dbraw/zinc/11/36/11/591113611.db2.gz JGPGEHVDUCKMMB-QAPCUYQASA-N 2 0 348.491 1.939 20 0 EDADRP O=C(N[C@H](C[NH+]1CCCCC1)c1ccccc1)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891557387 591124075 /nfs/dbraw/zinc/12/40/75/591124075.db2.gz PYSGVLNFJCBQOU-OKZBNKHCSA-N 2 0 328.460 1.969 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000891560485 591127511 /nfs/dbraw/zinc/12/75/11/591127511.db2.gz PCGXGOARINQPTJ-YJBOKZPZSA-N 2 0 344.459 1.588 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)C1 ZINC000891577873 591133287 /nfs/dbraw/zinc/13/32/87/591133287.db2.gz SVDRLIJRHAKLJR-WMLDXEAASA-N 2 0 326.485 1.114 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755781 591163551 /nfs/dbraw/zinc/16/35/51/591163551.db2.gz KONVUXMROCFPDX-OAHLLOKOSA-N 2 0 338.496 1.319 20 0 EDADRP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(CCNC(=O)OC(C)(C)C)CC1 ZINC000892763350 591167585 /nfs/dbraw/zinc/16/75/85/591167585.db2.gz KUGFYEHOXMWURW-HNNXBMFYSA-N 2 0 342.528 1.905 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892780909 591173221 /nfs/dbraw/zinc/17/32/21/591173221.db2.gz WOXDHAYHMIOOKJ-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672711 591178088 /nfs/dbraw/zinc/17/80/88/591178088.db2.gz CGACFQPVPZZBGZ-HZPDHXFCSA-N 2 0 338.496 1.319 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672709 591178449 /nfs/dbraw/zinc/17/84/49/591178449.db2.gz CGACFQPVPZZBGZ-CVEARBPZSA-N 2 0 338.496 1.319 20 0 EDADRP Cc1[nH+]ccc(NCC[N@H+]2C[C@H]3CC[C@@H](C2)O3)c1Br ZINC000894074820 591186725 /nfs/dbraw/zinc/18/67/25/591186725.db2.gz AATFPNIGZYSBPS-TXEJJXNPSA-N 2 0 326.238 1.850 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)ccn1 ZINC000891725035 591200580 /nfs/dbraw/zinc/20/05/80/591200580.db2.gz DKBHMWSDZRJNNQ-MAUKXSAKSA-N 2 0 347.463 1.106 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000891727264 591200770 /nfs/dbraw/zinc/20/07/70/591200770.db2.gz FYRBCKXWPJYIHH-OAGGEKHMSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000891758657 591213181 /nfs/dbraw/zinc/21/31/81/591213181.db2.gz KTXPQVSJRQOENB-DZJNRPSUSA-N 2 0 330.476 1.934 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)CC1 ZINC000892925980 591227197 /nfs/dbraw/zinc/22/71/97/591227197.db2.gz NHJLCUAFZQOJKJ-AWEZNQCLSA-N 2 0 326.485 1.087 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892944363 591234525 /nfs/dbraw/zinc/23/45/25/591234525.db2.gz PLAFIMRYONNGIZ-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895626733 591234803 /nfs/dbraw/zinc/23/48/03/591234803.db2.gz VQORYCUAGKFJRP-OALUTQOASA-N 2 0 343.471 1.660 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@H]3C[C@@]3(C)Br)C2)CC1 ZINC000892948051 591235592 /nfs/dbraw/zinc/23/55/92/591235592.db2.gz LOJSDMDKENPZRT-VNHYZAJKSA-N 2 0 330.314 1.918 20 0 EDADRP COC(=O)c1cnc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)s1 ZINC000894365766 591291145 /nfs/dbraw/zinc/29/11/45/591291145.db2.gz HLTJPDXIDIINQY-UHFFFAOYSA-N 2 0 347.444 1.689 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NC[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000894516169 591330534 /nfs/dbraw/zinc/33/05/34/591330534.db2.gz GSPJNLFVOJENBF-GBESFXJTSA-N 2 0 342.487 1.712 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000896149227 591363950 /nfs/dbraw/zinc/36/39/50/591363950.db2.gz SCNGMGCOTKGHGC-CRAIPNDOSA-N 2 0 345.487 1.953 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@@H]3CC[N@@H+]3C(C)(C)C)CC2)c1 ZINC000896177969 591373049 /nfs/dbraw/zinc/37/30/49/591373049.db2.gz HGFHRNHCUJZVLC-HNNXBMFYSA-N 2 0 332.448 1.612 20 0 EDADRP C[C@H]1CN(C(=O)NCC[NH+]2CCC(C)(C)C2)CC[N@@H+]1CC(C)(C)O ZINC000898592355 591426483 /nfs/dbraw/zinc/42/64/83/591426483.db2.gz MBWHZRAVDSZNKC-HNNXBMFYSA-N 2 0 340.512 1.205 20 0 EDADRP CCCSC[C@H](C)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000894896274 591463150 /nfs/dbraw/zinc/46/31/50/591463150.db2.gz UIABQBKCNOZVPX-INIZCTEOSA-N 2 0 329.554 1.904 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000897518053 591519274 /nfs/dbraw/zinc/51/92/74/591519274.db2.gz BTZREKJVUZHVIZ-HOTGVXAUSA-N 2 0 331.464 1.786 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)N[C@@H]2CCC[N@@H+]3CCSC[C@@H]23)CC1 ZINC000896608668 591551004 /nfs/dbraw/zinc/55/10/04/591551004.db2.gz HZLJPDLLDWRGFE-CABCVRRESA-N 2 0 338.521 1.446 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000896607942 591551017 /nfs/dbraw/zinc/55/10/17/591551017.db2.gz BLKXULIQFHJWCG-XHSDSOJGSA-N 2 0 342.553 1.842 20 0 EDADRP COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000895250708 591680921 /nfs/dbraw/zinc/68/09/21/591680921.db2.gz NXIWMHSYULSTEA-XCDZQEORSA-N 2 0 344.455 1.960 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896948490 591691699 /nfs/dbraw/zinc/69/16/99/591691699.db2.gz IOQXONHVPQLQNI-UHFFFAOYSA-N 2 0 335.448 1.281 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000895463706 591767103 /nfs/dbraw/zinc/76/71/03/591767103.db2.gz BAMFASIJGOAGTP-MSOLQXFVSA-N 2 0 345.487 1.876 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000900020246 591870242 /nfs/dbraw/zinc/87/02/42/591870242.db2.gz BDHRLUUSFPHVIW-HKUYNNGSSA-N 2 0 331.460 1.224 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023490 591871262 /nfs/dbraw/zinc/87/12/62/591871262.db2.gz MFVNPEMZNKZDBA-QZTJIDSGSA-N 2 0 334.508 1.243 20 0 EDADRP COc1c[nH]c(CO)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1=O ZINC000902201691 591944619 /nfs/dbraw/zinc/94/46/19/591944619.db2.gz OXCOUKKSNATFEV-AWEZNQCLSA-N 2 0 335.448 1.040 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900299782 591980042 /nfs/dbraw/zinc/98/00/42/591980042.db2.gz JWCDWFJJVSGMJE-HKUYNNGSSA-N 2 0 333.476 1.122 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc3nonc3c2)CC[NH2+]CC1 ZINC000902454523 591999088 /nfs/dbraw/zinc/99/90/88/591999088.db2.gz IMNPSIIJCUMJJU-LBPRGKRZSA-N 2 0 332.404 1.634 20 0 EDADRP C[C@H]([NH2+][C@H]1C[C@H](C[NH3+])C1)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000902485194 592005607 /nfs/dbraw/zinc/00/56/07/592005607.db2.gz IXEJCUFNVLNHDO-LEUOFYLZSA-N 2 0 347.459 1.739 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)C1 ZINC000902521426 592010266 /nfs/dbraw/zinc/01/02/66/592010266.db2.gz SQCGXELZRJJAOY-NEPJUHHUSA-N 2 0 339.871 1.782 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC000900411421 592011193 /nfs/dbraw/zinc/01/11/93/592011193.db2.gz HTHUOBINPYHHPH-UHFFFAOYSA-N 2 0 330.432 1.611 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC000900429731 592016194 /nfs/dbraw/zinc/01/61/94/592016194.db2.gz OHEAZJAYGYKQBN-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900439841 592019310 /nfs/dbraw/zinc/01/93/10/592019310.db2.gz SJOZRMBIWDXGCK-RTBURBONSA-N 2 0 349.519 1.964 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)nc1NC ZINC000900480117 592029971 /nfs/dbraw/zinc/02/99/71/592029971.db2.gz BVRKCXMGSQRTPY-INIZCTEOSA-N 2 0 347.507 1.920 20 0 EDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)CC2)C1 ZINC000900725950 592106206 /nfs/dbraw/zinc/10/62/06/592106206.db2.gz PVFBMJFHGAPNLQ-SQNIBIBYSA-N 2 0 334.508 1.242 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)C1(NC(=O)OC(C)(C)C)CC1 ZINC000903076443 592116257 /nfs/dbraw/zinc/11/62/57/592116257.db2.gz QAACUOHOSJZRIZ-CABCVRRESA-N 2 0 341.496 1.869 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903148240 592128906 /nfs/dbraw/zinc/12/89/06/592128906.db2.gz RPOZMWDYUNWLDF-XUVXKRRUSA-N 2 0 346.471 1.681 20 0 EDADRP OC1(C[NH2+][C@@H]2CCO[C@]23CCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000903189294 592136030 /nfs/dbraw/zinc/13/60/30/592136030.db2.gz AGWRYHCLMICXDF-QUCCMNQESA-N 2 0 346.471 1.551 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc([C@@H]3CCCN3C)[nH]n2)[C@@H](C)C1 ZINC000900825008 592138348 /nfs/dbraw/zinc/13/83/48/592138348.db2.gz QSQKMTBSEXJIRW-JQFCIGGWSA-N 2 0 333.480 1.979 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)Cc2ccccc2C1 ZINC000900825691 592138746 /nfs/dbraw/zinc/13/87/46/592138746.db2.gz ACPAUMSESPBHEO-HXUWFJFHSA-N 2 0 345.487 1.049 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900885825 592156784 /nfs/dbraw/zinc/15/67/84/592156784.db2.gz MKCIHMKGAJHONK-GOSISDBHSA-N 2 0 338.540 1.593 20 0 EDADRP COCCOc1ccc(CNC(=O)C[N@@H+]2C[C@@H](C)[C@H](CC[NH3+])C2)cc1 ZINC000903497038 592188330 /nfs/dbraw/zinc/18/83/30/592188330.db2.gz NZCOZTZVUVTZKJ-NVXWUHKLSA-N 2 0 349.475 1.245 20 0 EDADRP [NH3+]CC[C@@H]1Cc2ccccc2N(S(=O)(=O)CC2CC[NH2+]CC2)C1 ZINC000903520568 592195724 /nfs/dbraw/zinc/19/57/24/592195724.db2.gz SGZINNBNWSAVIO-OAHLLOKOSA-N 2 0 337.489 1.344 20 0 EDADRP O=C1CC[C@@H]([NH2+]CCCOCc2ccccc2)[C@H](C2CC[NH2+]CC2)N1 ZINC000903525709 592197919 /nfs/dbraw/zinc/19/79/19/592197919.db2.gz PQEBFWBZTIHFSZ-QUCCMNQESA-N 2 0 345.487 1.830 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[C@H](C(F)(F)F)[C@@H]([NH3+])C2)cc1 ZINC000903541204 592202035 /nfs/dbraw/zinc/20/20/35/592202035.db2.gz TVPKNEZZYSBAQF-SNPRPXQTSA-N 2 0 331.382 1.949 20 0 EDADRP C[C@]1(C2CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)CC2)COC(=O)N1 ZINC000903564039 592211588 /nfs/dbraw/zinc/21/15/88/592211588.db2.gz OESNUVNRILXFDT-JENIJYKNSA-N 2 0 347.459 1.128 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906647749 592232647 /nfs/dbraw/zinc/23/26/47/592232647.db2.gz ATJIAYHZAUEEQI-AWEZNQCLSA-N 2 0 346.475 1.665 20 0 EDADRP CCC[NH+]1CCC(NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906649901 592234891 /nfs/dbraw/zinc/23/48/91/592234891.db2.gz HYIGYKTVQLDPJJ-UHFFFAOYSA-N 2 0 346.475 1.810 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000901157062 592266239 /nfs/dbraw/zinc/26/62/39/592266239.db2.gz KHXJFNOBRQDFLR-AYBZRNKSSA-N 2 0 335.492 1.309 20 0 EDADRP C[C@@H]1CN(Cc2cnnn2[C@@H]2CCC[NH2+]C2)CCN1c1ccccc1 ZINC000904469011 592268013 /nfs/dbraw/zinc/26/80/13/592268013.db2.gz HXIHMAMCTLBHLN-SJLPKXTDSA-N 2 0 340.475 1.913 20 0 EDADRP [NH3+]C[C@H]1C[C@H](NC(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C1 ZINC000904537096 592282410 /nfs/dbraw/zinc/28/24/10/592282410.db2.gz CONQGVLUSRGOGP-QGPMSJSTSA-N 2 0 343.475 1.830 20 0 EDADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)C1 ZINC000903721477 592282474 /nfs/dbraw/zinc/28/24/74/592282474.db2.gz AYTOLOSIGVNGEV-POAQFYNOSA-N 2 0 349.519 1.726 20 0 EDADRP O=C(c1ccccc1)N1CCC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903723052 592283469 /nfs/dbraw/zinc/28/34/69/592283469.db2.gz SPGVLPMZHIIACB-QUCCMNQESA-N 2 0 343.471 1.603 20 0 EDADRP CCOCCCNC(=O)C1CC[NH+](C[C@H]2CCCC[NH2+]C2)CC1 ZINC000903722984 592283559 /nfs/dbraw/zinc/28/35/59/592283559.db2.gz FOPNASZQVSQOTE-INIZCTEOSA-N 2 0 325.497 1.631 20 0 EDADRP CCCC(=O)NC[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725501 592285250 /nfs/dbraw/zinc/28/52/50/592285250.db2.gz BTCDLQOTKJUQHQ-DLBZAZTESA-N 2 0 337.508 1.773 20 0 EDADRP CCO[C@@H]1C[C@@H](O)C12CC[NH+](C[C@@H]1CC3(CO1)CC[NH2+]CC3)CC2 ZINC000903734451 592297690 /nfs/dbraw/zinc/29/76/90/592297690.db2.gz QXLJZWKFCAZLMU-GVDBMIGSSA-N 2 0 338.492 1.397 20 0 EDADRP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C[C@H](C)O1 ZINC000903736798 592298777 /nfs/dbraw/zinc/29/87/77/592298777.db2.gz NAQZPYNKIYDIMQ-XCDZQEORSA-N 2 0 337.508 1.329 20 0 EDADRP C[C@@H]1[NH2+]CCn2c(-c3nc([C@H]4C[N@@H+]5CCC[C@H]5CO4)no3)ccc21 ZINC000904638225 592300294 /nfs/dbraw/zinc/30/02/94/592300294.db2.gz NVYXVNCBQUJWAD-SLEUVZQESA-N 2 0 329.404 1.738 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)Nc1ccccc1C[NH3+] ZINC000904637704 592300698 /nfs/dbraw/zinc/30/06/98/592300698.db2.gz VHGIRKRNPBJRRL-AWEZNQCLSA-N 2 0 332.448 1.862 20 0 EDADRP C([C@@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740601 592303299 /nfs/dbraw/zinc/30/32/99/592303299.db2.gz XSQRRRBVWLEQBQ-MPGHIAIKSA-N 2 0 331.464 1.172 20 0 EDADRP c1ccc([C@H](CN2CCOCC2)[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)cc1 ZINC000903761045 592307332 /nfs/dbraw/zinc/30/73/32/592307332.db2.gz ZHLXQSLYXYAJBM-HSALFYBXSA-N 2 0 345.487 1.418 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1C1CC[NH+](Cc2ccccc2CF)CC1 ZINC000903769436 592310928 /nfs/dbraw/zinc/31/09/28/592310928.db2.gz GDWOMHARPWFWQM-SJORKVTESA-N 2 0 333.407 1.913 20 0 EDADRP CCOC(=O)N1CCC[C@H]([C@H](C)[NH2+]C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903757050 592315191 /nfs/dbraw/zinc/31/51/91/592315191.db2.gz BBIQQFQIJBPBHT-LISAXSMJSA-N 2 0 339.480 1.602 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CCC[C@]12CC[NH2+]C2)c1ccccc1 ZINC000903865339 592341611 /nfs/dbraw/zinc/34/16/11/592341611.db2.gz CMZRETIGXCORAV-IEBWSBKVSA-N 2 0 330.476 1.233 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903888590 592351098 /nfs/dbraw/zinc/35/10/98/592351098.db2.gz GPHKTYRTXJTMCN-WYQXTGKHSA-N 2 0 337.489 1.857 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cnn1C ZINC000903897824 592369078 /nfs/dbraw/zinc/36/90/78/592369078.db2.gz HGXOVLVUHKQUDX-OAHLLOKOSA-N 2 0 343.475 1.853 20 0 EDADRP Cc1nnc([C@H]2CCC[N@@H+](C[C@@H](C[NH3+])Cc3cnn(C)c3C)C2)[nH]1 ZINC000903898367 592369759 /nfs/dbraw/zinc/36/97/59/592369759.db2.gz KHXPWSCGXDFICI-CABCVRRESA-N 2 0 331.468 1.152 20 0 EDADRP Cc1cnn(CC2CC[NH+](C[C@H](C[NH3+])Cc3cnn(C)c3C)CC2)c1 ZINC000903904061 592371373 /nfs/dbraw/zinc/37/13/73/592371373.db2.gz ONSDIBIFYJUNOA-SFHVURJKSA-N 2 0 344.507 1.763 20 0 EDADRP NC(=O)c1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000903908671 592373369 /nfs/dbraw/zinc/37/33/69/592373369.db2.gz NLTSWRLEVJGNHF-ZXFUBFMLSA-N 2 0 328.460 1.438 20 0 EDADRP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000903909288 592373507 /nfs/dbraw/zinc/37/35/07/592373507.db2.gz DKPVJWLSTXPCCO-UWJYYQICSA-N 3 0 342.531 1.790 20 0 EDADRP C[NH+](C)CCCNC(=O)c1cscc1C(=O)NCCC[NH+](C)C ZINC000905049118 592379708 /nfs/dbraw/zinc/37/97/08/592379708.db2.gz VEYONXHNHWMOHU-UHFFFAOYSA-N 2 0 340.493 1.111 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCc1cn2ccccc2n1 ZINC000903928349 592382586 /nfs/dbraw/zinc/38/25/86/592382586.db2.gz XTNMXSMXTPGHSE-OAHLLOKOSA-N 2 0 325.420 1.183 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)cnn1C ZINC000903929752 592382604 /nfs/dbraw/zinc/38/26/04/592382604.db2.gz KRHJTXNVQRKZEZ-DKSSEZFCSA-N 2 0 345.466 1.412 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cnn1C ZINC000903931423 592383506 /nfs/dbraw/zinc/38/35/06/592383506.db2.gz DHPSVOLWSSZECY-FUHWJXTLSA-N 3 0 333.524 1.558 20 0 EDADRP CCn1nc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)c2ccccc21 ZINC000903976813 592398289 /nfs/dbraw/zinc/39/82/89/592398289.db2.gz BQHOTYBHDBGNGV-KSMMKXTCSA-N 2 0 342.443 1.769 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)CC1(O)CCCCC1 ZINC000905126419 592427455 /nfs/dbraw/zinc/42/74/55/592427455.db2.gz FMKWXLWTDYMHNT-FUHWJXTLSA-N 2 0 340.508 1.523 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@H]2CC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000905149360 592439362 /nfs/dbraw/zinc/43/93/62/592439362.db2.gz QPDQEFXBGURVQR-AEFFLSMTSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000908359215 592464662 /nfs/dbraw/zinc/46/46/62/592464662.db2.gz SFMVTFOQVHLYMC-OAHLLOKOSA-N 2 0 335.492 1.430 20 0 EDADRP CC(C)(C)CC[C@H]([NH3+])CN1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000904301134 592471620 /nfs/dbraw/zinc/47/16/20/592471620.db2.gz HPEUCSAVSZZNOP-ULQDDVLXSA-N 3 0 338.540 1.720 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNS(=O)(=O)CC2CC[NH2+]CC2)c1 ZINC000905333434 592509001 /nfs/dbraw/zinc/50/90/01/592509001.db2.gz DLVYBRZHEYWQSG-UHFFFAOYSA-N 2 0 339.505 1.557 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](C[NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905380522 592512648 /nfs/dbraw/zinc/51/26/48/592512648.db2.gz GRAMCLMRKGGQTP-NVXWUHKLSA-N 2 0 327.419 1.408 20 0 EDADRP C[N@H+](CC(=O)N1CC[NH+](C)C2(CCCCC2)C1)[C@@H]1CCSC1 ZINC000908573069 592544232 /nfs/dbraw/zinc/54/42/32/592544232.db2.gz MRJIHTWRBDVSNH-OAHLLOKOSA-N 2 0 325.522 1.901 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@H](O)COCC(C)C)C2)[C@H]1C(C)C ZINC000905503693 592546784 /nfs/dbraw/zinc/54/67/84/592546784.db2.gz SHQZUTKLPOATLW-VHPHOLNESA-N 2 0 342.524 1.479 20 0 EDADRP CCSc1ccccc1CC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000905565200 592567978 /nfs/dbraw/zinc/56/79/78/592567978.db2.gz QEDCAAJJNCHGOC-QGZVFWFLSA-N 2 0 337.533 1.539 20 0 EDADRP CCOC(=O)[C@H]1CCCN(CC(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000907385300 592620648 /nfs/dbraw/zinc/62/06/48/592620648.db2.gz GNTXHDHRXJUNRC-INIZCTEOSA-N 2 0 337.464 1.030 20 0 EDADRP CC[NH+](CC)Cc1ccc(C[NH2+]C[C@H](O)C[C@]2(O)CCOC2)cc1 ZINC000905889614 592669020 /nfs/dbraw/zinc/66/90/20/592669020.db2.gz NKFKTBVYKPCXPG-RTBURBONSA-N 2 0 336.476 1.520 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2cccn2CCN2CCOCC2)CCCC1 ZINC000906226394 592766073 /nfs/dbraw/zinc/76/60/73/592766073.db2.gz GAEAECJGXGAOCA-UHFFFAOYSA-N 2 0 348.491 1.425 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906382800 592813885 /nfs/dbraw/zinc/81/38/85/592813885.db2.gz UFSRTBCUPBWZID-APWZRJJASA-N 2 0 344.503 1.432 20 0 EDADRP C[N@H+](CCNC(=O)C(=O)Nc1ccccc1C[NH3+])Cc1ccccc1 ZINC000906645850 592865857 /nfs/dbraw/zinc/86/58/57/592865857.db2.gz LTLSBCKZRRAMFR-UHFFFAOYSA-N 2 0 340.427 1.332 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CC([NH+]4CCCC4)C3)c2)CC1 ZINC000912325258 593087118 /nfs/dbraw/zinc/08/71/18/593087118.db2.gz UTDSLRFYFCXKIE-UHFFFAOYSA-N 2 0 342.487 1.354 20 0 EDADRP C[C@]1(NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C[NH+]2CCC1CC2 ZINC000912373660 593091155 /nfs/dbraw/zinc/09/11/55/593091155.db2.gz GAVHPJOSNQMZLR-AEFFLSMTSA-N 2 0 337.533 1.804 20 0 EDADRP CCN(C(=O)CCCN1CC[NH+](C(C)C)CC1)[C@H]1CC[N@H+](CC)C1 ZINC000912400193 593093081 /nfs/dbraw/zinc/09/30/81/593093081.db2.gz IYQFTXPDGUBPQQ-SFHVURJKSA-N 2 0 338.540 1.735 20 0 EDADRP COC(OC)c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)o1 ZINC000806933385 593129190 /nfs/dbraw/zinc/12/91/90/593129190.db2.gz ILGXQLZZXAFHRR-UHFFFAOYSA-N 2 0 327.425 1.136 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc2ccccc2oc1=O ZINC000103211691 593220699 /nfs/dbraw/zinc/22/06/99/593220699.db2.gz NUJCMVNJTLJOEK-UHFFFAOYSA-N 2 0 331.416 1.358 20 0 EDADRP CCOC(=O)CC(C)(C)C[NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1 ZINC000838900338 593236851 /nfs/dbraw/zinc/23/68/51/593236851.db2.gz PTIMUYSVHBCWJB-MRXNPFEDSA-N 2 0 327.513 1.827 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000810755596 593427508 /nfs/dbraw/zinc/42/75/08/593427508.db2.gz XNUGKNKKDOFHGH-ZENOOKHLSA-N 2 0 331.501 1.703 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000806542787 593457113 /nfs/dbraw/zinc/45/71/13/593457113.db2.gz YLCLUVALZWWICI-UHFFFAOYSA-N 2 0 342.528 1.597 20 0 EDADRP C[C@H]([NH2+]CC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CCC[NH2+]1 ZINC000817890899 593645709 /nfs/dbraw/zinc/64/57/09/593645709.db2.gz BFZJTPKYLHWOHA-JQWIXIFHSA-N 2 0 343.415 1.278 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC(C)(C)[C@H]1COCC12OCCO2 ZINC000817935441 593650322 /nfs/dbraw/zinc/65/03/22/593650322.db2.gz OHUCQDHLWORAJZ-CGTJXYLNSA-N 2 0 348.487 1.950 20 0 EDADRP C[C@H]([NH2+]CCN1CC[NH2+]CC1)c1ccc(S(=O)(=O)C(F)F)cc1 ZINC000817942569 593650706 /nfs/dbraw/zinc/65/07/06/593650706.db2.gz APCHOYOSQHVVEX-LBPRGKRZSA-N 2 0 347.431 1.239 20 0 EDADRP [NH3+]CCNC(=O)c1ccccc1NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000818582939 593705845 /nfs/dbraw/zinc/70/58/45/593705845.db2.gz CQDDWKYWUXPSFV-UHFFFAOYSA-N 2 0 330.432 1.188 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+]C[C@@H](O)c2ccc(F)cn2)c1 ZINC000819010551 593733829 /nfs/dbraw/zinc/73/38/29/593733829.db2.gz CZEOMCVKSMAPED-GOSISDBHSA-N 2 0 333.407 1.984 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)c1cccc(C(F)(F)F)c1 ZINC000819033162 593734666 /nfs/dbraw/zinc/73/46/66/593734666.db2.gz KTNPSGLIPCLPKB-CJNGLKHVSA-N 2 0 345.409 1.964 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)c1cc(F)ccc1F)CN1CC[NH+](C)CC1 ZINC000819059677 593736583 /nfs/dbraw/zinc/73/65/83/593736583.db2.gz ZOHWPYCVPFYHCT-SUMWQHHRSA-N 2 0 327.419 1.471 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccc(F)cn1 ZINC000819219254 593744840 /nfs/dbraw/zinc/74/48/40/593744840.db2.gz ORCSJTQGIFDNAZ-IEBWSBKVSA-N 2 0 345.418 1.611 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1[C@H]2C[NH+](Cc3ccccc3)C[C@H]21)[C@H]1CCSC1 ZINC000820085195 593789716 /nfs/dbraw/zinc/78/97/16/593789716.db2.gz IFNMENWOAKJOJE-IMBTUZDBSA-N 2 0 345.512 1.670 20 0 EDADRP C[C@H](c1ccc(-c2nn[nH]n2)cc1)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000820554934 593831949 /nfs/dbraw/zinc/83/19/49/593831949.db2.gz BXAOSKJOLAKJQY-OAHLLOKOSA-N 2 0 343.479 1.497 20 0 EDADRP COC(=O)Cn1cc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)nn1 ZINC000823966271 593896452 /nfs/dbraw/zinc/89/64/52/593896452.db2.gz IRCGHFQIMIMVJH-UHFFFAOYSA-N 2 0 335.452 1.338 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824547872 594036778 /nfs/dbraw/zinc/03/67/78/594036778.db2.gz TYCYJYFNOFSPNB-AWEZNQCLSA-N 2 0 343.479 1.543 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCN2CCCO)C1 ZINC000824565549 594039177 /nfs/dbraw/zinc/03/91/77/594039177.db2.gz YJLHNXLNVFUDLW-QLFBSQMISA-N 2 0 348.434 1.790 20 0 EDADRP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(-c2nn[nH]n2)c1 ZINC000824573430 594040664 /nfs/dbraw/zinc/04/06/64/594040664.db2.gz ZGKRGDZSCKSVJP-CQSZACIVSA-N 2 0 343.479 1.543 20 0 EDADRP CC(C)(C)[NH2+]CCC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000824940471 594101336 /nfs/dbraw/zinc/10/13/36/594101336.db2.gz BXDDQACWUMJNON-KRWDZBQOSA-N 2 0 333.476 1.648 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1)C(C)C ZINC000830357513 594381917 /nfs/dbraw/zinc/38/19/17/594381917.db2.gz AXXXWWKVVDHNOV-MRXNPFEDSA-N 2 0 340.512 1.070 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC000826558053 594525687 /nfs/dbraw/zinc/52/56/87/594525687.db2.gz SQLBOEAJMMXBRE-GOSISDBHSA-N 2 0 345.487 1.796 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)cn1 ZINC000826653779 594547478 /nfs/dbraw/zinc/54/74/78/594547478.db2.gz ITWJIZRVEVFFEB-GOSISDBHSA-N 2 0 347.507 1.972 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)N[C@H]2C[NH+](C3CC3)C[C@H]2C)C[C@@H]1C ZINC000826686687 594555978 /nfs/dbraw/zinc/55/59/78/594555978.db2.gz WNZYCFRDLBYKIA-AIANPOQGSA-N 2 0 338.496 1.220 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@H]([NH3+])C2CC2)[C@@H](c2ccccc2)C1 ZINC000826907506 594599659 /nfs/dbraw/zinc/59/96/59/594599659.db2.gz QEYDQDLHZLKELN-RBUKOAKNSA-N 2 0 344.503 1.609 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH2+][C@H](C)C3)cc2)CC1 ZINC000841017825 594839705 /nfs/dbraw/zinc/83/97/05/594839705.db2.gz IFLQFLKZXIHWQL-OAHLLOKOSA-N 2 0 331.464 1.654 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000841310634 594883782 /nfs/dbraw/zinc/88/37/82/594883782.db2.gz GPZKCZQDFXGKML-HOTGVXAUSA-N 2 0 332.448 1.781 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)C1 ZINC000841847576 594964879 /nfs/dbraw/zinc/96/48/79/594964879.db2.gz TWMPQYPUAVSARI-GUYCJALGSA-N 2 0 345.443 1.922 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NCc3ccc(CC[NH3+])cc3)C2)C1 ZINC000841933356 594985167 /nfs/dbraw/zinc/98/51/67/594985167.db2.gz MTAAMLRIACXWNI-IBGZPJMESA-N 2 0 330.476 1.815 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(CCc2ccccc2)CC[NH+](C)C)CC[NH2+]1 ZINC000841990304 594996684 /nfs/dbraw/zinc/99/66/84/594996684.db2.gz ZEPCXRCXKBHXDD-WMZOPIPTSA-N 2 0 332.492 1.943 20 0 EDADRP CCc1ccccc1NC(=O)CNC(=O)C[N@H+](C)C1CCC([NH3+])CC1 ZINC000843353667 595084116 /nfs/dbraw/zinc/08/41/16/595084116.db2.gz IHICJMCCCCAWNU-UHFFFAOYSA-N 2 0 346.475 1.505 20 0 EDADRP CC[C@H]1CN(C(=O)CO[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000843494031 595129965 /nfs/dbraw/zinc/12/99/65/595129965.db2.gz XNRDGXLGNRIEHL-OALUTQOASA-N 2 0 345.487 1.878 20 0 EDADRP CCCCCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000846223107 595178333 /nfs/dbraw/zinc/17/83/33/595178333.db2.gz OMDFXXQTHXTPPC-ULQDDVLXSA-N 2 0 325.497 1.901 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)n1 ZINC000834805403 595217876 /nfs/dbraw/zinc/21/78/76/595217876.db2.gz RLSJCCZJCBKVPB-VNHYZAJKSA-N 2 0 336.867 1.891 20 0 EDADRP O=C(CO[C@H]1CCC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000844172978 595291367 /nfs/dbraw/zinc/29/13/67/595291367.db2.gz LMVJHSQBLHSSQP-HNNXBMFYSA-N 2 0 341.521 1.233 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000846775262 595315518 /nfs/dbraw/zinc/31/55/18/595315518.db2.gz YNKPRJYKPVIKEN-IBGZPJMESA-N 2 0 342.487 1.665 20 0 EDADRP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178738 595372005 /nfs/dbraw/zinc/37/20/05/595372005.db2.gz SQZRJTBLUMCQML-OIPACUDHSA-N 2 0 343.487 1.813 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2noc([C@@H](N)CC[NH+](C)C)n2)c1 ZINC000844908515 595411473 /nfs/dbraw/zinc/41/14/73/595411473.db2.gz HIVMLQGXLYHVIA-HNNXBMFYSA-N 2 0 333.436 1.629 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(S(=O)(=O)C(F)(F)F)CC2)C1 ZINC000848717441 595435556 /nfs/dbraw/zinc/43/55/56/595435556.db2.gz BVFQTFIDVYWLNL-ONGXEEELSA-N 2 0 329.388 1.160 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000847592713 595453844 /nfs/dbraw/zinc/45/38/44/595453844.db2.gz ULROHKAIQTZADE-GOSISDBHSA-N 2 0 333.476 1.367 20 0 EDADRP COCCOCCCNC(=[NH2+])NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849057322 595476125 /nfs/dbraw/zinc/47/61/25/595476125.db2.gz INURWJJIPDHRSI-UHFFFAOYSA-N 2 0 348.491 1.818 20 0 EDADRP [NH2+]=C(NC[C@H]1COCCO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000849068763 595477393 /nfs/dbraw/zinc/47/73/93/595477393.db2.gz LWJGCXZXOCTZJB-KRWDZBQOSA-N 2 0 332.448 1.180 20 0 EDADRP CC(C)(C)NC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849068789 595477521 /nfs/dbraw/zinc/47/75/21/595477521.db2.gz NSLFNIWQKCNTBH-UHFFFAOYSA-N 2 0 333.484 1.291 20 0 EDADRP CCCCNC(=[NH2+])NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000849068840 595477541 /nfs/dbraw/zinc/47/75/41/595477541.db2.gz RIIRUSZKEHFPAP-UHFFFAOYSA-N 2 0 333.484 1.293 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000849070984 595477882 /nfs/dbraw/zinc/47/78/82/595477882.db2.gz BNOZKIHIXBYNNO-QGZVFWFLSA-N 2 0 343.475 1.677 20 0 EDADRP O=C1[C@H]([NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000852754281 595526649 /nfs/dbraw/zinc/52/66/49/595526649.db2.gz SATMZWGZHXGIIY-SJLPKXTDSA-N 2 0 335.492 1.478 20 0 EDADRP OCCCCCC[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852765196 595533188 /nfs/dbraw/zinc/53/31/88/595533188.db2.gz OASMKMBYSNEKQB-INIZCTEOSA-N 2 0 335.496 1.551 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000852793763 595545801 /nfs/dbraw/zinc/54/58/01/595545801.db2.gz GRYMQQPUCTUYKR-UHFFFAOYSA-N 2 0 343.427 1.844 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482652 595546768 /nfs/dbraw/zinc/54/67/68/595546768.db2.gz SFUGCXRXJNPCOK-MSOLQXFVSA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@@H](c2cnn(C)c2)C1 ZINC000849487303 595547794 /nfs/dbraw/zinc/54/77/94/595547794.db2.gz OPPCHWBSHXFRAJ-DLBZAZTESA-N 2 0 349.523 1.690 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541157 595560905 /nfs/dbraw/zinc/56/09/05/595560905.db2.gz LGWGVQRURRQOHI-QZTJIDSGSA-N 2 0 349.523 1.690 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852895106 595602744 /nfs/dbraw/zinc/60/27/44/595602744.db2.gz XEKFFBJEBVKDMZ-ZBFHGGJFSA-N 2 0 336.480 1.593 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]([NH3+])C2CC2)cc1F ZINC000852906834 595609043 /nfs/dbraw/zinc/60/90/43/595609043.db2.gz URSLGSDQMHTHOY-BPUTZDHNSA-N 2 0 335.423 1.523 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cn2)CC1 ZINC000851760030 595912644 /nfs/dbraw/zinc/91/26/44/595912644.db2.gz AVWRIUAQAXNJAM-QGZVFWFLSA-N 2 0 327.432 1.052 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCO1 ZINC000856431579 595989170 /nfs/dbraw/zinc/98/91/70/595989170.db2.gz SXDTVPJZKNYAKD-YJBOKZPZSA-N 2 0 343.487 1.768 20 0 EDADRP Cn1cc(CC[N@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)nn1 ZINC000859160612 595991989 /nfs/dbraw/zinc/99/19/89/595991989.db2.gz JHNUDSOMBKGVSR-UHFFFAOYSA-N 2 0 348.539 1.486 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@](C)(O)C(C)=O)C2)ccn1 ZINC000856584554 596023438 /nfs/dbraw/zinc/02/34/38/596023438.db2.gz MJFHFUCLJVXESQ-ROUUACIJSA-N 2 0 335.448 1.326 20 0 EDADRP CC(=O)[C@](C)(O)C[NH+]1CC[C@H](Oc2ccnc(C[N@@H+](C)C(C)C)c2)C1 ZINC000856604476 596032098 /nfs/dbraw/zinc/03/20/98/596032098.db2.gz NTKCAIHPBIVHHO-RBUKOAKNSA-N 2 0 349.475 1.715 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C(C)C ZINC000861570408 596032594 /nfs/dbraw/zinc/03/25/94/596032594.db2.gz PKUFSDCKTNPYBL-CHWSQXEVSA-N 2 0 338.418 1.885 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CC[C@@H]([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000861717805 596079579 /nfs/dbraw/zinc/07/95/79/596079579.db2.gz TZZYNAZSKGLNND-QZTJIDSGSA-N 2 0 331.460 1.072 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)C[C@@H](C)[NH3+])c(C)c2)CC1 ZINC000859621423 596148965 /nfs/dbraw/zinc/14/89/65/596148965.db2.gz LGRFIRWEBXFSSK-OAHLLOKOSA-N 2 0 333.480 1.948 20 0 EDADRP Cn1cncc1CC[N@@H+]1CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C1 ZINC000852738874 596236773 /nfs/dbraw/zinc/23/67/73/596236773.db2.gz BTXCSFAGCWHYOO-ZIAGYGMSSA-N 2 0 326.416 1.900 20 0 EDADRP COC(=O)/C=C\c1ccc(OCC[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000866659646 596283789 /nfs/dbraw/zinc/28/37/89/596283789.db2.gz QKTWEPBQPNPDEC-YVMONPNESA-N 2 0 347.459 1.089 20 0 EDADRP CC1(C)CC[C@H](C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)OC1 ZINC000866660405 596283836 /nfs/dbraw/zinc/28/38/36/596283836.db2.gz HRXOSKVRAZSGHD-BRWVUGGUSA-N 2 0 337.508 1.772 20 0 EDADRP Cc1ccccc1OCC[N@@H+]1CC[C@@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1 ZINC000866714667 596306398 /nfs/dbraw/zinc/30/63/98/596306398.db2.gz UWJIEWLMWIKVTJ-INMHGKMJSA-N 2 0 331.416 1.241 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)CC2)cc1 ZINC000870859285 596379683 /nfs/dbraw/zinc/37/96/83/596379683.db2.gz YVTWNIREBFXHHV-UWVAXJGDSA-N 2 0 343.471 1.857 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)CCC23CC(C2)C[NH2+]3)C[C@@H](C)O1 ZINC000870873404 596385671 /nfs/dbraw/zinc/38/56/71/596385671.db2.gz CJHGYURCSHQFEK-RWUQJRKBSA-N 2 0 335.492 1.619 20 0 EDADRP CN1CCC(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)([NH+]2CCCCC2)CC1 ZINC000870894004 596393558 /nfs/dbraw/zinc/39/35/58/596393558.db2.gz CNLYNULSSFWIDY-GJYPPUQNSA-N 2 0 334.508 1.180 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870945006 596414710 /nfs/dbraw/zinc/41/47/10/596414710.db2.gz MXOAFFQFWZZBAF-OASPWFOLSA-N 2 0 326.238 1.693 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)[C@H]([NH3+])c1cccc(Br)c1)C(F)F ZINC000870945902 596414932 /nfs/dbraw/zinc/41/49/32/596414932.db2.gz YTRSJUZQNJEAAQ-NXEZZACHSA-N 2 0 336.180 1.548 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)c1csc(C3CC[NH2+]CC3)n1)C2 ZINC000870948077 596415565 /nfs/dbraw/zinc/41/55/65/596415565.db2.gz DKEPRSYHBOVVPD-GUYCJALGSA-N 2 0 334.489 1.811 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)C1 ZINC000870994170 596432375 /nfs/dbraw/zinc/43/23/75/596432375.db2.gz OGNJOXIJLJUWQX-DYVFJYSZSA-N 2 0 334.468 1.040 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnc2nccn2c1 ZINC000865088691 596468995 /nfs/dbraw/zinc/46/89/95/596468995.db2.gz ITAIKZCPBDABJV-INIZCTEOSA-N 2 0 344.463 1.217 20 0 EDADRP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc3c(cnn3C)c2)C[C@@H](C)O1 ZINC000865470717 596584382 /nfs/dbraw/zinc/58/43/82/596584382.db2.gz FJZHXTWNWVFEAT-HUUCEWRRSA-N 2 0 331.464 1.947 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@H](C)[NH2+]1 ZINC000867965654 596637579 /nfs/dbraw/zinc/63/75/79/596637579.db2.gz GUFMKOQHLQSRLC-GBIKHYSHSA-N 2 0 326.238 1.658 20 0 EDADRP [NH3+]C[C@H](NC(=O)[C@@H]([NH3+])c1cccc(Br)c1)C(F)(F)F ZINC000867984361 596644579 /nfs/dbraw/zinc/64/45/79/596644579.db2.gz WCBLQBCNEYZKDT-IUCAKERBSA-N 2 0 340.143 1.455 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]CCOC)cc2F)CC1 ZINC000868037757 596663698 /nfs/dbraw/zinc/66/36/98/596663698.db2.gz HVOLMTCZCYMCQK-UHFFFAOYSA-N 2 0 338.427 1.142 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865766027 596673747 /nfs/dbraw/zinc/67/37/47/596673747.db2.gz XXUFISMEWCVSTN-UHFFFAOYSA-N 2 0 349.523 1.918 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000871760438 596688195 /nfs/dbraw/zinc/68/81/95/596688195.db2.gz LPPLBEOBBIPRKM-QGZVFWFLSA-N 2 0 334.464 1.981 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCCc3cccnc32)C[C@H]1C[NH+](C)C ZINC000870019086 596710725 /nfs/dbraw/zinc/71/07/25/596710725.db2.gz PBJWAPZHPAAVCP-KZNAEPCWSA-N 2 0 344.503 1.699 20 0 EDADRP CC(=O)c1cccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870020443 596711316 /nfs/dbraw/zinc/71/13/16/596711316.db2.gz QCRUTIVVNTZUSV-QZTJIDSGSA-N 2 0 331.460 1.701 20 0 EDADRP CN1CCc2cc(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)ccc21 ZINC000870019589 596711348 /nfs/dbraw/zinc/71/13/48/596711348.db2.gz JQYYTWISLWUCEU-QZTJIDSGSA-N 2 0 344.503 1.490 20 0 EDADRP CO[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)c1ccccc1 ZINC000870020078 596711388 /nfs/dbraw/zinc/71/13/88/596711388.db2.gz BRDIPPLLHBIEGH-KZNAEPCWSA-N 2 0 333.476 1.572 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCC2CCOCC2)C[C@H]1C[NH+](C)C ZINC000870020751 596711906 /nfs/dbraw/zinc/71/19/06/596711906.db2.gz FWAAIFNWGOFIMD-IAGOWNOFSA-N 2 0 325.497 1.391 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1(C)C ZINC000868179408 596713277 /nfs/dbraw/zinc/71/32/77/596713277.db2.gz OXHRSUQIMCRPPV-DLBZAZTESA-N 2 0 345.491 1.649 20 0 EDADRP Cc1cc(C)n([C@@H](C)CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870023532 596713918 /nfs/dbraw/zinc/71/39/18/596713918.db2.gz BSVIDFMVIGXXRW-RCCFBDPRSA-N 2 0 349.523 1.649 20 0 EDADRP CCc1cccc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024459 596714543 /nfs/dbraw/zinc/71/45/43/596714543.db2.gz PJOJIBXZWYTALO-QZTJIDSGSA-N 2 0 347.503 1.826 20 0 EDADRP Cc1cccn2cc(CCNC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)nc12 ZINC000868330991 596788948 /nfs/dbraw/zinc/78/89/48/596788948.db2.gz PMPWOQKPTJIZAS-DOTOQJQBSA-N 2 0 341.459 1.921 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2C[C@@H]2CC3(CO2)CCOCC3)C1 ZINC000872145168 596810236 /nfs/dbraw/zinc/81/02/36/596810236.db2.gz PJHBUNOZVVBXFW-OWSLCNJRSA-N 2 0 338.492 1.933 20 0 EDADRP CO[C@H]1C[C@@H](C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)C1 ZINC000872144907 596810436 /nfs/dbraw/zinc/81/04/36/596810436.db2.gz IGQGPOUUDJLFCV-HRCADAONSA-N 2 0 333.480 1.424 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)O)CC1 ZINC000872198573 596831514 /nfs/dbraw/zinc/83/15/14/596831514.db2.gz RFFSJYNGRTUHCV-IBGZPJMESA-N 2 0 349.519 1.436 20 0 EDADRP O=C1O[C@H]2C[NH2+]C[C@H]2N1[C@H]1CCN(Cc2cc(Cl)cs2)C1 ZINC000872257787 596857636 /nfs/dbraw/zinc/85/76/36/596857636.db2.gz WZMPRGKLDYLICK-UHTWSYAYSA-N 2 0 327.837 1.768 20 0 EDADRP Cc1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)nc1 ZINC000875688494 596947865 /nfs/dbraw/zinc/94/78/65/596947865.db2.gz SMXGFGKGIVBLDJ-HZPDHXFCSA-N 2 0 333.480 1.271 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CC3(CCC3)CO2)CC1 ZINC000888684040 597018495 /nfs/dbraw/zinc/01/84/95/597018495.db2.gz SZRDLEKLTOFJHT-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)C[N@H+](CC1CC[NH+](C)CC1)CN1C[C@]2(CCOC2)CC1=O ZINC000872744259 597055643 /nfs/dbraw/zinc/05/56/43/597055643.db2.gz SHUQVWGLKVWWLT-IBGZPJMESA-N 2 0 337.508 1.883 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1)C(C)C ZINC000874429460 597074969 /nfs/dbraw/zinc/07/49/69/597074969.db2.gz KHTYSJNWQMNXQZ-CHWSQXEVSA-N 2 0 338.418 1.884 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CCCC1 ZINC000874432227 597075607 /nfs/dbraw/zinc/07/56/07/597075607.db2.gz VSGAYENFOMHEQV-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000874432770 597076740 /nfs/dbraw/zinc/07/67/40/597076740.db2.gz RCHKDIJYZQZDGT-BFYDXBDKSA-N 2 0 346.475 1.869 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cc2ccccc2nn1 ZINC000888612434 597180596 /nfs/dbraw/zinc/18/05/96/597180596.db2.gz WXKSYVYCEVQYSB-UHFFFAOYSA-N 2 0 330.436 1.587 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)c2sc(C3CC[NH2+]CC3)nc2C)C1 ZINC000876503327 597223700 /nfs/dbraw/zinc/22/37/00/597223700.db2.gz GVTLOMVTPXNDSF-CYBMUJFWSA-N 2 0 336.505 1.990 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532082 597231421 /nfs/dbraw/zinc/23/14/21/597231421.db2.gz BEFDTVOXPZTYLJ-HOTGVXAUSA-N 2 0 333.480 1.753 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(-n3cc(C[NH3+])nn3)c2)[C@H]2CCC[C@H]21 ZINC000873245338 597237667 /nfs/dbraw/zinc/23/76/67/597237667.db2.gz ZFHLTVZCUYETCF-CEXWTWQISA-N 3 0 340.475 1.688 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)CC1 ZINC000875005322 597240673 /nfs/dbraw/zinc/24/06/73/597240673.db2.gz NUKHFMSRDJPFSO-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000875014076 597244287 /nfs/dbraw/zinc/24/42/87/597244287.db2.gz GVQCODJIRPKIOG-BRWVUGGUSA-N 2 0 338.496 1.079 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000876716467 597302526 /nfs/dbraw/zinc/30/25/26/597302526.db2.gz GGJUZUBNVANSAK-CVEARBPZSA-N 2 0 335.496 1.822 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000876727491 597308450 /nfs/dbraw/zinc/30/84/50/597308450.db2.gz MDVRAWJFMUXNDU-ARFHVFGLSA-N 2 0 331.464 1.473 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876728943 597309720 /nfs/dbraw/zinc/30/97/20/597309720.db2.gz ZYUYLBIMNKJZAM-ZIAGYGMSSA-N 2 0 329.485 1.412 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000876734953 597312991 /nfs/dbraw/zinc/31/29/91/597312991.db2.gz XEWAIZNAMMBQNF-HOTGVXAUSA-N 2 0 333.480 1.576 20 0 EDADRP C[C@@H]1C[NH+](C[C@@H]2CCCN2C(=O)/C=C\[C@@H]2CCC[NH2+]C2)C[C@@H](C)O1 ZINC000876737866 597314719 /nfs/dbraw/zinc/31/47/19/597314719.db2.gz VABHPTLASVQXLP-WYOBXGJPSA-N 2 0 335.492 1.642 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC000876738003 597314886 /nfs/dbraw/zinc/31/48/86/597314886.db2.gz WVNJZHSYKGUDFI-HKUYNNGSSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876739532 597315849 /nfs/dbraw/zinc/31/58/49/597315849.db2.gz JJRSVJSYBGGYLN-LSDHHAIUSA-N 2 0 332.448 1.889 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876765248 597329405 /nfs/dbraw/zinc/32/94/05/597329405.db2.gz SGFRXVJBMOIPJM-SJLPKXTDSA-N 2 0 349.450 1.725 20 0 EDADRP C[NH+](C)CC1CCN(c2ccc(NC(=O)[C@@H]3OCC[C@@H]3[NH3+])cc2)CC1 ZINC000876769971 597332711 /nfs/dbraw/zinc/33/27/11/597332711.db2.gz FMAYTPPQFVMZCL-ZWKOTPCHSA-N 2 0 346.475 1.519 20 0 EDADRP O=C(/C=C\[C@@H]1CCC[NH2+]C1)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000876775153 597335804 /nfs/dbraw/zinc/33/58/04/597335804.db2.gz PJXQGLNOAJZRBP-MJRGOJFPSA-N 2 0 349.519 1.941 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1ccc(C(F)(F)F)cc1 ZINC000876866570 597363035 /nfs/dbraw/zinc/36/30/35/597363035.db2.gz VCWFQVOHWKMHNO-GHMZBOCLSA-N 2 0 337.292 1.819 20 0 EDADRP C[NH+](C)CCN(CCCc1ccccc1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876875870 597365816 /nfs/dbraw/zinc/36/58/16/597365816.db2.gz COYLZAUTSARLBH-HOTGVXAUSA-N 2 0 339.430 1.849 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)CCC34CC(C3)C[NH2+]4)CC2)CC1 ZINC000876876438 597365834 /nfs/dbraw/zinc/36/58/34/597365834.db2.gz FDCZLJAGFRQZMZ-UHFFFAOYSA-N 2 0 334.508 1.005 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876880084 597367821 /nfs/dbraw/zinc/36/78/21/597367821.db2.gz ZASBNWQRTPYTAF-GJZGRUSLSA-N 2 0 325.403 1.937 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876897144 597375994 /nfs/dbraw/zinc/37/59/94/597375994.db2.gz QBQYZMYKTPBQTB-RCCFBDPRSA-N 2 0 345.487 1.767 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000876957778 597396814 /nfs/dbraw/zinc/39/68/14/597396814.db2.gz GSKXHFVCGUPYQL-HMDTVDTHSA-N 2 0 335.492 1.405 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000876957779 597396863 /nfs/dbraw/zinc/39/68/63/597396863.db2.gz GSKXHFVCGUPYQL-OTUKTJHOSA-N 2 0 335.492 1.405 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876962302 597398946 /nfs/dbraw/zinc/39/89/46/597398946.db2.gz OSBGAJDXAQLCOL-IAGOWNOFSA-N 2 0 334.439 1.357 20 0 EDADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000876964528 597399740 /nfs/dbraw/zinc/39/97/40/597399740.db2.gz IFCDMTVUYBFMMM-NNWPQKRMSA-N 2 0 331.435 1.943 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)=NO1 ZINC000877143256 597441987 /nfs/dbraw/zinc/44/19/87/597441987.db2.gz JJLJXRJVDJMXRO-IAGOWNOFSA-N 2 0 344.459 1.651 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877151873 597444002 /nfs/dbraw/zinc/44/40/02/597444002.db2.gz USNFATIXRQOKEC-BHYGNILZSA-N 2 0 333.476 1.813 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CN(Cc2ccccc2C)CCO1 ZINC000877231563 597470600 /nfs/dbraw/zinc/47/06/00/597470600.db2.gz OCCUVZXQMXWUOD-IEBWSBKVSA-N 2 0 333.476 1.830 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000877250293 597479518 /nfs/dbraw/zinc/47/95/18/597479518.db2.gz OOQQFSBWHJTDBW-BZUAXINKSA-N 2 0 331.464 1.282 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000877257930 597482053 /nfs/dbraw/zinc/48/20/53/597482053.db2.gz UOPOIUKJFPZKFM-PXNSSMCTSA-N 2 0 346.519 1.669 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)C1(C)C ZINC000877361471 597501195 /nfs/dbraw/zinc/50/11/95/597501195.db2.gz UOOVRNLISOXAGX-DYNIEEOBSA-N 2 0 337.386 1.115 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)C[C@@H]1C(F)(F)F ZINC000877361536 597501630 /nfs/dbraw/zinc/50/16/30/597501630.db2.gz VAEHJGHTQJGBOM-IVMMDQJWSA-N 2 0 341.377 1.513 20 0 EDADRP C[C@H](C(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)[C@H]([NH3+])c1ccccc1 ZINC000877371436 597503726 /nfs/dbraw/zinc/50/37/26/597503726.db2.gz QNMDFXUCZSDGIG-DEQVHRJGSA-N 2 0 329.366 1.918 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)C1(F)F ZINC000877444773 597516500 /nfs/dbraw/zinc/51/65/00/597516500.db2.gz PYFVISAVGGWWIM-PMOUVXMZSA-N 2 0 329.435 1.973 20 0 EDADRP [NH3+][C@@H](C[C@H]1CCCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)C1)C1CCCC1 ZINC000877451903 597517459 /nfs/dbraw/zinc/51/74/59/597517459.db2.gz MUBQWTFISYRRHJ-CJNGLKHVSA-N 2 0 345.491 1.815 20 0 EDADRP CCOC(=O)CC(C)(C)CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877670046 597546570 /nfs/dbraw/zinc/54/65/70/597546570.db2.gz GNOQFGOANOHHMT-HZPDHXFCSA-N 2 0 327.513 1.637 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Cc3ccc(F)cc3)C2)CC1 ZINC000878116264 597579611 /nfs/dbraw/zinc/57/96/11/597579611.db2.gz GARRYHXMQGBFPS-INIZCTEOSA-N 2 0 333.451 1.901 20 0 EDADRP CCOC(=O)C[C@@](C)([NH2+]CC(=O)NC1CC[NH+](C)CC1)C(C)C ZINC000878456734 597603023 /nfs/dbraw/zinc/60/30/23/597603023.db2.gz RYKKRGXNGKOSHW-QGZVFWFLSA-N 2 0 327.469 1.154 20 0 EDADRP CN1C(=O)[C@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]2C1=O ZINC000879535226 597623484 /nfs/dbraw/zinc/62/34/84/597623484.db2.gz KBPFTJIHKAZZPH-HDICACEKSA-N 2 0 341.455 1.719 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000878547011 597630200 /nfs/dbraw/zinc/63/02/00/597630200.db2.gz SXPLBSSQIDFVIG-LJQANCHMSA-N 2 0 333.451 2.000 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CCC[C@@](CO)(c3ccccc3)C2)CC1 ZINC000878562601 597635934 /nfs/dbraw/zinc/63/59/34/597635934.db2.gz AYMNJERGOQWCOT-HXUWFJFHSA-N 2 0 345.487 1.223 20 0 EDADRP C[NH+](C)CCCCC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000881623436 597661283 /nfs/dbraw/zinc/66/12/83/597661283.db2.gz XVCYJHBYHRPDAR-UHFFFAOYSA-N 2 0 338.496 1.051 20 0 EDADRP C[C@H]1CN(C(=O)C[N@H+](C)[C@@H]2CCSC2)CCN1c1cc[nH+]cc1 ZINC000881632152 597665435 /nfs/dbraw/zinc/66/54/35/597665435.db2.gz KWZOACJALGNLDZ-GOEBONIOSA-N 2 0 334.489 1.556 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@H](COC)[C@H]2CCCOC2)CC1 ZINC000883172535 597676810 /nfs/dbraw/zinc/67/68/10/597676810.db2.gz KPDBUZYCPUTYMG-ZWKOTPCHSA-N 2 0 327.513 1.435 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1)[N@H+](C)C1CC1 ZINC000883332531 597716440 /nfs/dbraw/zinc/71/64/40/597716440.db2.gz WZQURBUPGKQDDJ-ZBFHGGJFSA-N 2 0 338.496 1.412 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC(C)([NH+]3CCC3)CC2)cn1 ZINC000878848412 597733794 /nfs/dbraw/zinc/73/37/94/597733794.db2.gz QQHSPIGYHUZIPV-UHFFFAOYSA-N 2 0 334.468 1.537 20 0 EDADRP COc1ccc2c(c1)CC[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000878968870 597769401 /nfs/dbraw/zinc/76/94/01/597769401.db2.gz DHCBSHBTLVHUPF-GOSISDBHSA-N 2 0 347.503 1.752 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC000879973912 597792128 /nfs/dbraw/zinc/79/21/28/597792128.db2.gz FDINZMSDCUGOAD-BRSBDYLESA-N 2 0 337.508 1.602 20 0 EDADRP C[C@H]([NH3+])CN(C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883584979 597813477 /nfs/dbraw/zinc/81/34/77/597813477.db2.gz BWCVXSOQIOLLED-WMLDXEAASA-N 2 0 331.464 1.782 20 0 EDADRP C[NH2+]CCN(C)C(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000883586291 597814184 /nfs/dbraw/zinc/81/41/84/597814184.db2.gz IOWXMELPBATOBY-KRWDZBQOSA-N 2 0 331.464 1.654 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cnn(C(F)F)c2)C[C@H]1C[NH+](C)C ZINC000879089866 597818598 /nfs/dbraw/zinc/81/85/98/597818598.db2.gz RHDLYNYXXSMOEZ-VXGBXAGGSA-N 2 0 344.410 1.481 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)CC1 ZINC000880264454 597887674 /nfs/dbraw/zinc/88/76/74/597887674.db2.gz WORDYSCKFCOVAL-INIZCTEOSA-N 2 0 345.491 1.193 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@H]1CCCC[NH2+]1)c1ccc(Br)cc1 ZINC000884018439 597969126 /nfs/dbraw/zinc/96/91/26/597969126.db2.gz VJSLSVKRRCSFIF-OLZOCXBDSA-N 2 0 326.238 1.707 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884180092 598016853 /nfs/dbraw/zinc/01/68/53/598016853.db2.gz LXESGEPVQIUKKE-MRXNPFEDSA-N 2 0 345.491 1.486 20 0 EDADRP COC1CC[NH+](CCNC(=O)[C@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000884228155 598037055 /nfs/dbraw/zinc/03/70/55/598037055.db2.gz JJNWBAHTGSSSFW-QGZVFWFLSA-N 2 0 344.459 1.265 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccc(Br)cc2)C1 ZINC000884303392 598059400 /nfs/dbraw/zinc/05/94/00/598059400.db2.gz NMWMXSDMRPMZPZ-ICCXJUOJSA-N 2 0 326.238 1.693 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000884346542 598076444 /nfs/dbraw/zinc/07/64/44/598076444.db2.gz OWFCFBZMNKZPRE-MRXNPFEDSA-N 2 0 345.491 1.710 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884394359 598092237 /nfs/dbraw/zinc/09/22/37/598092237.db2.gz CREROSJDRYXOLR-HNNXBMFYSA-N 2 0 345.491 1.341 20 0 EDADRP CO[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001040913602 699975995 /nfs/dbraw/zinc/97/59/95/699975995.db2.gz BTGCWKBXMAFYPD-SJORKVTESA-N 2 0 337.508 1.678 20 0 EDADRP Cc1c(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)ccc2c[nH+]cn21 ZINC000992738851 695260881 /nfs/dbraw/zinc/26/08/81/695260881.db2.gz IKWJVAOSXLVOON-BMGDILEWSA-N 2 0 342.443 1.465 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)N[C@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914219621 695283490 /nfs/dbraw/zinc/28/34/90/695283490.db2.gz YQJOUVPWDJLNEY-JJXSEGSLSA-N 2 0 338.521 1.492 20 0 EDADRP Cn1ccnc1CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CC3)[C@@H]2C1 ZINC000992758730 695289414 /nfs/dbraw/zinc/28/94/14/695289414.db2.gz SNPVOODRTXZZEZ-BBWFWOEESA-N 2 0 330.476 1.979 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCO)[C@H]2C1 ZINC000992926705 695457665 /nfs/dbraw/zinc/45/76/65/695457665.db2.gz QFTKVMDEYLMCQC-WDSOQIARSA-N 2 0 345.487 1.571 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1)C1CCC1 ZINC001015502574 695555332 /nfs/dbraw/zinc/55/53/32/695555332.db2.gz GJGVJEBBHPYJFP-SJORKVTESA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000915154163 695753082 /nfs/dbraw/zinc/75/30/82/695753082.db2.gz UTNUXFFDPOUKJE-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)Cc2cn3c(n2)CCCC3)[C@@H]1C ZINC000993329050 695983034 /nfs/dbraw/zinc/98/30/34/695983034.db2.gz BUFQUAWIDZVVNE-GOEBONIOSA-N 2 0 334.464 1.377 20 0 EDADRP CCCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@@H]1C ZINC000993366790 696015230 /nfs/dbraw/zinc/01/52/30/696015230.db2.gz PAUSMLNJOGXCBU-HOTGVXAUSA-N 2 0 335.496 1.828 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC000993980951 696480371 /nfs/dbraw/zinc/48/03/71/696480371.db2.gz CIYIODISBHEGGF-YJBOKZPZSA-N 2 0 333.476 1.977 20 0 EDADRP Cc1cnc(CN2CCC[C@H](NC(=O)C34CC[NH+](CC3)C4)[C@@H]2C)o1 ZINC000994250844 696643804 /nfs/dbraw/zinc/64/38/04/696643804.db2.gz JNXKVFPGMZNSDL-GJZGRUSLSA-N 2 0 332.448 1.548 20 0 EDADRP COc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)on1 ZINC000940007975 700109255 /nfs/dbraw/zinc/10/92/55/700109255.db2.gz CAEKLOIOEAGBEI-CQSZACIVSA-N 2 0 336.436 1.248 20 0 EDADRP Cc1cc(CN2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@H]2C)ncn1 ZINC000994409175 696826924 /nfs/dbraw/zinc/82/69/24/696826924.db2.gz PUILLRPLIJOQHQ-WBVHZDCISA-N 2 0 331.464 1.350 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC2CN([C@H]3CCCc4ccccc43)C2)C1 ZINC001031413987 697061358 /nfs/dbraw/zinc/06/13/58/697061358.db2.gz CSJAXIHODPSUFI-RBUKOAKNSA-N 2 0 343.471 1.585 20 0 EDADRP CCC1([NH+](C)C)CCN(S(=O)(=O)C[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000918801493 697209456 /nfs/dbraw/zinc/20/94/56/697209456.db2.gz OOEVJTWPQZESTF-INIZCTEOSA-N 2 0 343.537 1.608 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C)C1)c1ccccc1 ZINC001031584358 697279859 /nfs/dbraw/zinc/27/98/59/697279859.db2.gz BZYMXLMBGHQTMQ-ZWKOTPCHSA-N 2 0 331.460 1.516 20 0 EDADRP COc1cc(C[NH+]2CC(CNC(=O)[C@@H]3CCC[N@@H+]3C)C2)ccc1C ZINC001031585304 697281124 /nfs/dbraw/zinc/28/11/24/697281124.db2.gz VWYVNSDKCLLHKJ-KRWDZBQOSA-N 2 0 331.460 1.646 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000920226318 697411399 /nfs/dbraw/zinc/41/13/99/697411399.db2.gz FLCIMLTWXQJSKH-IAGOWNOFSA-N 2 0 333.480 1.858 20 0 EDADRP O=C(NCC1CN(Cc2cccnc2)C1)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC001031668513 697460883 /nfs/dbraw/zinc/46/08/83/697460883.db2.gz ICGWGQNLVMLCFX-MSOLQXFVSA-N 2 0 328.460 1.504 20 0 EDADRP Cc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cc1 ZINC001031675746 697488125 /nfs/dbraw/zinc/48/81/25/697488125.db2.gz QVWQXBSXMSZWIB-LJQANCHMSA-N 2 0 327.472 1.885 20 0 EDADRP O=C(NCC1C[NH+](Cc2ccsc2)C1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC001031688720 697526897 /nfs/dbraw/zinc/52/68/97/697526897.db2.gz KKLJAJYTPLTRHP-CVEARBPZSA-N 2 0 335.473 1.159 20 0 EDADRP C[C@@]1(C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)CCC[NH2+]C1 ZINC000237630646 698251373 /nfs/dbraw/zinc/25/13/73/698251373.db2.gz BAJRRGHKPVJWEG-QFBILLFUSA-N 2 0 345.443 1.924 20 0 EDADRP O=C(NCC1C[NH+](CC[C@@H]2CCCCO2)C1)C12CCC[NH+](CCC1)C2 ZINC001031764408 699048291 /nfs/dbraw/zinc/04/82/91/699048291.db2.gz DFLBJFKMXWRECB-SFHVURJKSA-N 2 0 349.519 1.870 20 0 EDADRP CCCC[NH+]1CC(N2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)C1 ZINC000941501748 701561455 /nfs/dbraw/zinc/56/14/55/701561455.db2.gz GTCWVFPYNIVUTO-IBGZPJMESA-N 2 0 348.535 1.489 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054599 699114971 /nfs/dbraw/zinc/11/49/71/699114971.db2.gz LXRSTGHHCNBERD-MAUKXSAKSA-N 2 0 330.476 1.668 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)sn1 ZINC000939063435 699130355 /nfs/dbraw/zinc/13/03/55/699130355.db2.gz GEJPWYSPFSSCKB-MLGOLLRUSA-N 2 0 336.505 1.730 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](C[C@@H](O)C2CCCCC2)C1 ZINC001031776830 699169728 /nfs/dbraw/zinc/16/97/28/699169728.db2.gz PJIJFSBGGYXOLC-QZTJIDSGSA-N 2 0 337.508 1.460 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1nccs1 ZINC000939127343 699205150 /nfs/dbraw/zinc/20/51/50/699205150.db2.gz CLLRRTYXHZBYRQ-KBPBESRZSA-N 2 0 336.505 1.812 20 0 EDADRP CC[C@H](C(=O)N1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)C1)[NH+](C)C ZINC000941547418 701576505 /nfs/dbraw/zinc/57/65/05/701576505.db2.gz AKQODNHZKRHYLS-GDBMZVCRSA-N 2 0 343.431 1.005 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)[C@H]3C[N@H+](C)C[C@@H]3C)CC2)C1 ZINC000941567498 701579855 /nfs/dbraw/zinc/57/98/55/701579855.db2.gz VFZSYNQPXWIVTO-WMZOPIPTSA-N 2 0 336.524 1.059 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@]3(F)CC[N@@H+](C(C)(C)C)C3)CC2)C1 ZINC000941566576 701585230 /nfs/dbraw/zinc/58/52/30/701585230.db2.gz IBLOMHFRLFAKAT-SFHVURJKSA-N 2 0 340.487 1.047 20 0 EDADRP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1[NH2+]Cc1cncs1 ZINC000939256847 699434078 /nfs/dbraw/zinc/43/40/78/699434078.db2.gz FMHUILKSBULETD-XJKSGUPXSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1[NH2+]Cc1cccnc1 ZINC000939256353 699448661 /nfs/dbraw/zinc/44/86/61/699448661.db2.gz BAZFYNJUGMDDBF-QAPCUYQASA-N 2 0 330.476 1.750 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H](O)c2ccccc2)C1)C12CCC[NH+]1CCC2 ZINC001031813077 699488592 /nfs/dbraw/zinc/48/85/92/699488592.db2.gz ORFDETDIKBNFCX-GOSISDBHSA-N 2 0 343.471 1.396 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939396532 699546376 /nfs/dbraw/zinc/54/63/76/699546376.db2.gz JXSTYWMJHJWLFD-SJLPKXTDSA-N 2 0 347.507 1.131 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]Cc3nccn3C)[C@@H](C)C2)CC1 ZINC000939453424 699599342 /nfs/dbraw/zinc/59/93/42/699599342.db2.gz HINVQUXDKQYTQL-RDJZCZTQSA-N 2 0 347.507 1.477 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1cccc(F)c1F ZINC000939545918 699687869 /nfs/dbraw/zinc/68/78/69/699687869.db2.gz PQGQPYVQNYXODY-CZUORRHYSA-N 2 0 349.425 1.997 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939546463 699688592 /nfs/dbraw/zinc/68/85/92/699688592.db2.gz SOOZTIGGXNYHBG-RHSMWYFYSA-N 2 0 328.460 1.422 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C34CC[NH+](CC3)C4)C[C@H]2C)s1 ZINC000939546814 699688917 /nfs/dbraw/zinc/68/89/17/699688917.db2.gz UKJFRKCNJKOFCD-DOMZBBRYSA-N 2 0 334.489 1.484 20 0 EDADRP O=C(N1CCN(C2C[NH+](CC3CCCC3)C2)CC1)C12CC[NH+](CC1)C2 ZINC000941641108 701608468 /nfs/dbraw/zinc/60/84/68/701608468.db2.gz TYFWHDQJAZQUAM-UHFFFAOYSA-N 2 0 346.519 1.101 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2nncn2C)CC1 ZINC000940141683 700269532 /nfs/dbraw/zinc/26/95/32/700269532.db2.gz BMLXNDXGDSWRSW-HNNXBMFYSA-N 2 0 348.495 1.160 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC(C)([NH2+]Cc2cnns2)CC1)C1CC1 ZINC000940148651 700281538 /nfs/dbraw/zinc/28/15/38/700281538.db2.gz CCWGGCOFKGJIAN-AWEZNQCLSA-N 2 0 337.493 1.349 20 0 EDADRP Cc1conc1C[NH2+]C1(C)CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000940149864 700283064 /nfs/dbraw/zinc/28/30/64/700283064.db2.gz PIVXRJYUVKKXRK-INIZCTEOSA-N 2 0 334.464 1.794 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCC1C[NH+](CCn2cccn2)C1 ZINC001032119098 701628793 /nfs/dbraw/zinc/62/87/93/701628793.db2.gz FHRMCRUKXDXYKU-GOSISDBHSA-N 2 0 347.507 1.586 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)o1 ZINC000940179054 700312762 /nfs/dbraw/zinc/31/27/62/700312762.db2.gz QEFZDTGKVFUKMS-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP Cc1nc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)co1 ZINC000995167345 701635285 /nfs/dbraw/zinc/63/52/85/701635285.db2.gz JEQOVDULCLCQPZ-HUUCEWRRSA-N 2 0 332.448 1.453 20 0 EDADRP Cc1nc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)co1 ZINC000995167343 701635604 /nfs/dbraw/zinc/63/56/04/701635604.db2.gz JEQOVDULCLCQPZ-GJZGRUSLSA-N 2 0 332.448 1.453 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C3CC[NH+](C)CC3)CC2)nn1 ZINC000940296415 700468426 /nfs/dbraw/zinc/46/84/26/700468426.db2.gz KDCHGNSAHXQEML-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296599 700468840 /nfs/dbraw/zinc/46/88/40/700468840.db2.gz PQVHEVZXMJRLLH-UHFFFAOYSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940328101 700505951 /nfs/dbraw/zinc/50/59/51/700505951.db2.gz FNEBXNKJYQLURO-WMLDXEAASA-N 2 0 347.507 1.397 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000940329741 700509430 /nfs/dbraw/zinc/50/94/30/700509430.db2.gz YGVAFIXJBDPMHW-HNNXBMFYSA-N 2 0 345.491 1.598 20 0 EDADRP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2cc(C)ncn2)CC1)[NH+](C)C ZINC000940333958 700513896 /nfs/dbraw/zinc/51/38/96/700513896.db2.gz DEVWMZKPWQAEAI-INIZCTEOSA-N 2 0 333.480 1.596 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)CC3CC[NH+](C)CC3)CC2)o1 ZINC000940365160 700546198 /nfs/dbraw/zinc/54/61/98/700546198.db2.gz CCRMTIBOYLQCEO-UHFFFAOYSA-N 2 0 349.479 1.581 20 0 EDADRP Cc1nnc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940426691 700620603 /nfs/dbraw/zinc/62/06/03/700620603.db2.gz XUSTUGARANLSNG-AWEZNQCLSA-N 2 0 335.452 1.191 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082460 700724973 /nfs/dbraw/zinc/72/49/73/700724973.db2.gz YTBDOAXVIPKWNG-HOCLYGCPSA-N 2 0 333.480 1.136 20 0 EDADRP Cc1nccnc1C[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940626133 700788461 /nfs/dbraw/zinc/78/84/61/700788461.db2.gz ZNSJDRSEFIUHFE-SJORKVTESA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)C[N@H+](CCCO)CC[C@@H]1NC(=O)[C@@H]1CCCc2nccn21 ZINC000940794827 700913905 /nfs/dbraw/zinc/91/39/05/700913905.db2.gz AKFYKDZQWTXJHZ-GJZGRUSLSA-N 2 0 334.464 1.360 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)c2ccn3c[nH+]cc3c2)C(C)(C)C1 ZINC000940867613 700948843 /nfs/dbraw/zinc/94/88/43/700948843.db2.gz GAIDYDMZBINYJW-XJKSGUPXSA-N 2 0 330.432 1.545 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](CCCO)CC2(C)C)CC[N@@H+]1C ZINC000940980071 701020460 /nfs/dbraw/zinc/02/04/60/701020460.db2.gz NMOMCOICRXYWEC-HRCADAONSA-N 2 0 325.497 1.316 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCC2C[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001031922793 701091735 /nfs/dbraw/zinc/09/17/35/701091735.db2.gz JZIVMULROITSOG-VQIMIIECSA-N 2 0 345.487 1.905 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166987 701377756 /nfs/dbraw/zinc/37/77/56/701377756.db2.gz NVFRHQOIYRCINN-SJORKVTESA-N 2 0 349.519 1.726 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3nccn3C)C2)CC1 ZINC000995132188 701417530 /nfs/dbraw/zinc/41/75/30/701417530.db2.gz IGAXNWGRYYXFBU-DLBZAZTESA-N 2 0 347.507 1.527 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](O)C3CCCCC3)C2)CC1 ZINC001031947238 701500387 /nfs/dbraw/zinc/50/03/87/701500387.db2.gz DVAIXJHPSGKAAW-GOSISDBHSA-N 2 0 337.508 1.317 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)[C@H]3CC[N@@H+](C4CCCCC4)C3)CC2)C1 ZINC000941410672 701526881 /nfs/dbraw/zinc/52/68/81/701526881.db2.gz LRQDJDODUXKQEN-KRWDZBQOSA-N 2 0 348.535 1.489 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CC2)C1 ZINC000941456914 701543228 /nfs/dbraw/zinc/54/32/28/701543228.db2.gz VSNARCMGWOYLCM-PKOBYXMFSA-N 2 0 348.535 1.488 20 0 EDADRP CO[C@H](C)C[N@@H+]1CCC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000948583468 701763726 /nfs/dbraw/zinc/76/37/26/701763726.db2.gz RRZWUXAQLZJWMW-SJORKVTESA-N 2 0 337.508 1.963 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999176709 706619013 /nfs/dbraw/zinc/61/90/13/706619013.db2.gz XATDWJSRYFQRRH-SJORKVTESA-N 2 0 343.475 1.207 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@H]3C)C2)cc1C ZINC001031975957 701932465 /nfs/dbraw/zinc/93/24/65/701932465.db2.gz CHODGQXNPIHBNZ-QAPCUYQASA-N 2 0 345.487 1.749 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000999189040 706631025 /nfs/dbraw/zinc/63/10/25/706631025.db2.gz GOPAUCVBFHVKPB-KZNAEPCWSA-N 2 0 347.507 1.421 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999190762 706633028 /nfs/dbraw/zinc/63/30/28/706633028.db2.gz TVANITFQMCFIDK-BZUAXINKSA-N 2 0 333.480 1.324 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000995800542 702043264 /nfs/dbraw/zinc/04/32/64/702043264.db2.gz GAOIDXDQLYHYQO-IAGOWNOFSA-N 2 0 347.507 1.620 20 0 EDADRP Cc1nc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)C2)cs1 ZINC001031979400 702068069 /nfs/dbraw/zinc/06/80/69/702068069.db2.gz CXLDHBHSAUJISH-LRDDRELGSA-N 2 0 336.505 1.240 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825942 702099145 /nfs/dbraw/zinc/09/91/45/702099145.db2.gz UPHAUQRQQFRLDL-DOTOQJQBSA-N 2 0 346.475 1.651 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3cccc(C[NH+](C)C)c3)C2)O1 ZINC001032207384 702186705 /nfs/dbraw/zinc/18/67/05/702186705.db2.gz OZADFOJNBWJHAH-HNAYVOBHSA-N 2 0 345.487 1.977 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)CCC1 ZINC000995900732 702207453 /nfs/dbraw/zinc/20/74/53/702207453.db2.gz YVRCPMRCGQRHIO-INIZCTEOSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1ccccc1CCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC001032186573 702275358 /nfs/dbraw/zinc/27/53/58/702275358.db2.gz SAFZJCJMWYBQQR-IBGZPJMESA-N 2 0 329.488 1.927 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2cc(C)ncn2)C(C)(C)C1)[NH+](C)C ZINC000995944352 702289109 /nfs/dbraw/zinc/28/91/09/702289109.db2.gz BHXUJMMVSUWAQR-CVEARBPZSA-N 2 0 333.480 1.452 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4c3cccc4F)C2)C1 ZINC001032186181 702318718 /nfs/dbraw/zinc/31/87/18/702318718.db2.gz KDLXWQYAEZYOOH-RDTXWAMCSA-N 2 0 331.435 1.813 20 0 EDADRP C[C@@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098999 702593717 /nfs/dbraw/zinc/59/37/17/702593717.db2.gz FIBGXOGPBDJOLX-UKRRQHHQSA-N 2 0 339.505 1.632 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)ncn1 ZINC000996220167 702631679 /nfs/dbraw/zinc/63/16/79/702631679.db2.gz CRXFAIPGVIGMSS-QGZVFWFLSA-N 2 0 345.491 1.453 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208651 702678951 /nfs/dbraw/zinc/67/89/51/702678951.db2.gz IBXSJYYGGSSFOQ-CVEARBPZSA-N 2 0 348.495 1.077 20 0 EDADRP Cc1nccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000995208693 702679180 /nfs/dbraw/zinc/67/91/80/702679180.db2.gz ILDCFZXIVAVUOL-HZPDHXFCSA-N 2 0 331.464 1.255 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000995210371 702685202 /nfs/dbraw/zinc/68/52/02/702685202.db2.gz LOOZOYVHXWLJRL-DOTOQJQBSA-N 2 0 346.475 1.561 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996299927 702691025 /nfs/dbraw/zinc/69/10/25/702691025.db2.gz GWOYWJLZXACQFJ-DOTOQJQBSA-N 2 0 347.507 1.714 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1 ZINC000996300281 702691809 /nfs/dbraw/zinc/69/18/09/702691809.db2.gz LEWSBTGWKJQOPQ-HOCLYGCPSA-N 2 0 333.480 1.231 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1(C)C ZINC000996301150 702692999 /nfs/dbraw/zinc/69/29/99/702692999.db2.gz QWCZCELQOPAQTG-WMLDXEAASA-N 2 0 345.491 1.596 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@H]([NH2+]C[C@@H]3CCOC3)C(C)(C)C2)CC1 ZINC000996385786 702749850 /nfs/dbraw/zinc/74/98/50/702749850.db2.gz JRVSDEXNFNXJJA-IRXDYDNUSA-N 2 0 337.508 1.581 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000996561463 702875541 /nfs/dbraw/zinc/87/55/41/702875541.db2.gz PEZBXAJXHUBKIZ-MRXNPFEDSA-N 2 0 332.448 1.405 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2ccns2)CC1 ZINC000996559840 702877919 /nfs/dbraw/zinc/87/79/19/702877919.db2.gz FWSKEMDVWIIFHZ-MRXNPFEDSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)ncn1 ZINC000996560615 702879121 /nfs/dbraw/zinc/87/91/21/702879121.db2.gz KYXRMJGEDXVTFX-GOSISDBHSA-N 2 0 343.475 1.207 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3cnnn3CC)CC2)CC[N@@H+]1C ZINC000996602791 702905389 /nfs/dbraw/zinc/90/53/89/702905389.db2.gz GOYMERFRNFXWMV-DLBZAZTESA-N 2 0 348.495 1.109 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cn1 ZINC000996605457 702915006 /nfs/dbraw/zinc/91/50/06/702915006.db2.gz FITIINDXYXOFKY-RHSMWYFYSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)s1 ZINC000996611715 702916970 /nfs/dbraw/zinc/91/69/70/702916970.db2.gz OFRWJZUDDYEQCY-HNNXBMFYSA-N 2 0 336.505 1.874 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CC[N@H+](C)C3)CC2(C)C)c1 ZINC000996609042 702920090 /nfs/dbraw/zinc/92/00/90/702920090.db2.gz IKLMOPAXLGGLAI-FUHWJXTLSA-N 2 0 345.487 1.974 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)sn1 ZINC000996618546 702925164 /nfs/dbraw/zinc/92/51/64/702925164.db2.gz XPNZNMFHGXSLKC-ZFWWWQNUSA-N 2 0 336.505 1.730 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)[nH]1 ZINC000996666039 702968441 /nfs/dbraw/zinc/96/84/41/702968441.db2.gz OLUUAVCPGIAUHG-LBPRGKRZSA-N 2 0 334.468 1.239 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)n1 ZINC000996674357 702969683 /nfs/dbraw/zinc/96/96/83/702969683.db2.gz CDEWBMUFYPSLJA-KRWDZBQOSA-N 2 0 333.480 1.324 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)c1 ZINC000996676742 702975777 /nfs/dbraw/zinc/97/57/77/702975777.db2.gz HZWOJDYHACKDNA-GOSISDBHSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1)c1csnn1 ZINC000996678958 702977996 /nfs/dbraw/zinc/97/79/96/702977996.db2.gz OYGQABRJEBFJSU-IAQYHMDHSA-N 2 0 337.493 1.520 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)c1 ZINC000996680697 702978762 /nfs/dbraw/zinc/97/87/62/702978762.db2.gz UHCGZVOMVXXGRT-SFHVURJKSA-N 2 0 330.476 1.811 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)C1 ZINC000996680856 702979371 /nfs/dbraw/zinc/97/93/71/702979371.db2.gz VURVZHXBOZLEOL-IUPXNIOVSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]CC[C@@H]2CCOC2)CC1)[NH+](C)C ZINC000996691349 702988812 /nfs/dbraw/zinc/98/88/12/702988812.db2.gz KQZNDWAUDHZZGK-WBVHZDCISA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1)[NH+](C)C ZINC000996692497 702989672 /nfs/dbraw/zinc/98/96/72/702989672.db2.gz NFXGQDLRJLJWFF-WBVHZDCISA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000996695496 702991995 /nfs/dbraw/zinc/99/19/95/702991995.db2.gz LRQPNWUVRNKURR-SJORKVTESA-N 2 0 325.497 1.722 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC000996695856 702992332 /nfs/dbraw/zinc/99/23/32/702992332.db2.gz HSUFIWIRXFRBPO-IAGOWNOFSA-N 2 0 339.443 1.997 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]CCC2CCOCC2)CC1)[NH+](C)C ZINC000996713607 703008750 /nfs/dbraw/zinc/00/87/50/703008750.db2.gz WUHMMIUTCKQQGQ-QGZVFWFLSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3ccnn3C)CC2)C1 ZINC000996902108 703176818 /nfs/dbraw/zinc/17/68/18/703176818.db2.gz DGMNKYCKFUJZMA-INIZCTEOSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000996924540 703198570 /nfs/dbraw/zinc/19/85/70/703198570.db2.gz WMPNYADMJGYEKB-JSGCOSHPSA-N 2 0 335.452 1.189 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cn1 ZINC000996965216 703225619 /nfs/dbraw/zinc/22/56/19/703225619.db2.gz NHVBYHGDOYKQTR-GOSISDBHSA-N 2 0 349.523 1.612 20 0 EDADRP CCn1ccnc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996978795 703234107 /nfs/dbraw/zinc/23/41/07/703234107.db2.gz JSGDYFWALCKVJJ-WBVHZDCISA-N 2 0 347.507 1.714 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2CCC([NH2+]CC[C@@H]3CCCO3)CC2)C1 ZINC000996999391 703256218 /nfs/dbraw/zinc/25/62/18/703256218.db2.gz NZSKJVACCRBUCV-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3cc4n(n3)CCC4)CC2)C1 ZINC000997004608 703261524 /nfs/dbraw/zinc/26/15/24/703261524.db2.gz FNXIQNYDULHDGY-HNNXBMFYSA-N 2 0 345.491 1.252 20 0 EDADRP Cc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000997009002 703263290 /nfs/dbraw/zinc/26/32/90/703263290.db2.gz NUXUFEJNJWVODH-RDTXWAMCSA-N 2 0 330.476 1.668 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]CCc2ccns2)CC1 ZINC000997009124 703269724 /nfs/dbraw/zinc/26/97/24/703269724.db2.gz OTDCDTWFYHGGLQ-XJKSGUPXSA-N 2 0 336.505 1.464 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)ncn1 ZINC000997010916 703270865 /nfs/dbraw/zinc/27/08/65/703270865.db2.gz UQNLFHCBIJUDAK-GUYCJALGSA-N 2 0 331.464 1.063 20 0 EDADRP CCn1cc(C[NH2+]C2CCN(C(=O)CC3CC[NH+](C)CC3)CC2)nn1 ZINC000997058477 703303656 /nfs/dbraw/zinc/30/36/56/703303656.db2.gz RDFYDADZSLBXFY-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]Cc3ncccn3)CC2)CC1 ZINC000997114857 703368027 /nfs/dbraw/zinc/36/80/27/703368027.db2.gz IVHUSPQWNRZDTH-UHFFFAOYSA-N 2 0 331.464 1.289 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CCC(C)(C)C)n1 ZINC001032408969 703438232 /nfs/dbraw/zinc/43/82/32/703438232.db2.gz QMVYMZZXBFMVST-HOTGVXAUSA-N 2 0 347.507 1.780 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC([NH2+]Cc3ccon3)CC2)C1 ZINC000997178755 703462941 /nfs/dbraw/zinc/46/29/41/703462941.db2.gz GMRQPBYNYCCGRR-YOEHRIQHSA-N 2 0 334.464 1.876 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1)c1csnn1 ZINC000997182003 703466838 /nfs/dbraw/zinc/46/68/38/703466838.db2.gz FQKNJDSGOOANKG-CHWSQXEVSA-N 2 0 337.493 1.522 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997183591 703468824 /nfs/dbraw/zinc/46/88/24/703468824.db2.gz LDKJMYKKMHUSHL-HNNXBMFYSA-N 2 0 333.480 1.325 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC([NH2+]CCn3cccn3)CC2)C1 ZINC000997180314 703470564 /nfs/dbraw/zinc/47/05/64/703470564.db2.gz OTZOQQJLGPUHAF-SJLPKXTDSA-N 2 0 347.507 1.584 20 0 EDADRP Cc1c(C(=O)N[C@H](C)C2CC[NH+](C[C@@H](C)O)CC2)ccc2c[nH+]cn21 ZINC000997185506 703474138 /nfs/dbraw/zinc/47/41/38/703474138.db2.gz GUUHSHUXVJIKHL-ZIAGYGMSSA-N 2 0 344.459 1.854 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185832 703474979 /nfs/dbraw/zinc/47/49/79/703474979.db2.gz SKQJNLZEBOKDIW-CQSZACIVSA-N 2 0 348.495 1.351 20 0 EDADRP Cc1nc(CC[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cs1 ZINC000997192525 703489892 /nfs/dbraw/zinc/48/98/92/703489892.db2.gz KHZDIBDLPZPJQP-UHFFFAOYSA-N 2 0 348.516 1.670 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2cc3n(n2)CCCC3)CC1 ZINC000997301301 703544734 /nfs/dbraw/zinc/54/47/34/703544734.db2.gz DUEARCQNLHYDFK-UHFFFAOYSA-N 2 0 345.491 1.396 20 0 EDADRP C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997288670 703550361 /nfs/dbraw/zinc/55/03/61/703550361.db2.gz BJKGWWLBPUESDI-OAHLLOKOSA-N 2 0 347.507 1.479 20 0 EDADRP CCc1cc(NC[C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)nc(C)n1 ZINC001060824979 703554487 /nfs/dbraw/zinc/55/44/87/703554487.db2.gz MKSYAGYJXNRMIG-HOCLYGCPSA-N 2 0 331.464 1.702 20 0 EDADRP COc1ccc(F)cc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997297003 703555774 /nfs/dbraw/zinc/55/57/74/703555774.db2.gz CJPMOJQXQASRBH-CQSZACIVSA-N 2 0 349.450 1.867 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000997297366 703555829 /nfs/dbraw/zinc/55/58/29/703555829.db2.gz FIZUHBVBISGHKA-HNNXBMFYSA-N 2 0 332.448 1.123 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997359174 703589744 /nfs/dbraw/zinc/58/97/44/703589744.db2.gz GEBIDZIYTHEILY-IYBDPMFKSA-N 2 0 333.480 1.337 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997359269 703589792 /nfs/dbraw/zinc/58/97/92/703589792.db2.gz HJPURBCNCJRCDO-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)CC1 ZINC000921563603 703603002 /nfs/dbraw/zinc/60/30/02/703603002.db2.gz MRHQUOLRHCVTPH-UHFFFAOYSA-N 2 0 345.466 1.890 20 0 EDADRP C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000997389745 703657697 /nfs/dbraw/zinc/65/76/97/703657697.db2.gz HZOUJAOVDMYLFX-SJORKVTESA-N 2 0 349.519 1.726 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000997394702 703659826 /nfs/dbraw/zinc/65/98/26/703659826.db2.gz AHSMUJWJJFGMCH-CQSZACIVSA-N 2 0 334.464 1.624 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1CN2CCOC1CCC1 ZINC001032493041 703774918 /nfs/dbraw/zinc/77/49/18/703774918.db2.gz JBNQBAPQMZINEG-LNLFQRSKSA-N 2 0 349.519 1.961 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)nn1C ZINC000997606486 703899596 /nfs/dbraw/zinc/89/95/96/703899596.db2.gz LLKPMVSFZAGNOL-QGZVFWFLSA-N 2 0 333.480 1.151 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001004207145 703965830 /nfs/dbraw/zinc/96/58/30/703965830.db2.gz QEKHENBBRBXJEU-OAHLLOKOSA-N 2 0 333.476 1.977 20 0 EDADRP CC(C)[NH+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[N@H+](C[C@H](C)O)C[C@H]2CC1 ZINC000946586590 704119845 /nfs/dbraw/zinc/11/98/45/704119845.db2.gz NWVXOHUUBFXOTJ-WNRNVDISSA-N 2 0 337.508 1.410 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]CCc2cnn(C)c2)C1 ZINC000999310378 706813270 /nfs/dbraw/zinc/81/32/70/706813270.db2.gz XXQULHNBDNEDHB-ZWKOTPCHSA-N 2 0 347.507 1.418 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([C@H]2CCC[N@H+]2CCCO)CC1 ZINC001004436658 704411188 /nfs/dbraw/zinc/41/11/88/704411188.db2.gz HBIYEDVTRHYDEF-RBUKOAKNSA-N 2 0 349.519 1.414 20 0 EDADRP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC000922846603 704422688 /nfs/dbraw/zinc/42/26/88/704422688.db2.gz ONEKHDYSDQVTHX-UHFFFAOYSA-N 2 0 343.518 1.892 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001004456873 704450253 /nfs/dbraw/zinc/45/02/53/704450253.db2.gz ICYZYQVHJCDVGP-CRAIPNDOSA-N 2 0 337.508 1.555 20 0 EDADRP C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CCCO)CC1 ZINC000997729691 704626512 /nfs/dbraw/zinc/62/65/12/704626512.db2.gz QWYUZNGGPGOPJH-ZOBUZTSGSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3cnns3)CC2)CC[N@@H+]1C ZINC000997793054 704699479 /nfs/dbraw/zinc/69/94/79/704699479.db2.gz KTXAASPYPMVYGD-IUODEOHRSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997792093 704700388 /nfs/dbraw/zinc/70/03/88/704700388.db2.gz FXSMDYADVWYDQO-WOSRLPQWSA-N 2 0 349.479 1.607 20 0 EDADRP CCn1ncnc1C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000997824524 704744057 /nfs/dbraw/zinc/74/40/57/704744057.db2.gz TZXRRBGZGRMKJK-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997838402 704755571 /nfs/dbraw/zinc/75/55/71/704755571.db2.gz BZUALLUAYJSMTK-INIZCTEOSA-N 2 0 335.452 1.272 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+][C@H](C)c2csnn2)CC1)[NH+](C)C ZINC000997854557 704766721 /nfs/dbraw/zinc/76/67/21/704766721.db2.gz GGDSJTGDLWITSR-IUODEOHRSA-N 2 0 339.509 1.768 20 0 EDADRP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997859269 704768290 /nfs/dbraw/zinc/76/82/90/704768290.db2.gz KNZRDTJDIFMVPE-IAGOWNOFSA-N 2 0 347.463 1.415 20 0 EDADRP Cc1cnc(CN2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)s1 ZINC000944919517 704771425 /nfs/dbraw/zinc/77/14/25/704771425.db2.gz OQAWHXISVDDAPF-ZFWWWQNUSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1conc1C[NH2+]CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000997887667 704790070 /nfs/dbraw/zinc/79/00/70/704790070.db2.gz CSFGGOSSNPUZDT-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+]3CCCC3)[C@@H](C)C2)sn1 ZINC000944943713 704796147 /nfs/dbraw/zinc/79/61/47/704796147.db2.gz JTXXNSOBNVIBAN-XJKSGUPXSA-N 2 0 336.505 1.874 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944945601 704798525 /nfs/dbraw/zinc/79/85/25/704798525.db2.gz SKDKCONWUDKWNF-GDBMZVCRSA-N 2 0 331.464 1.207 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3ncccn3)CC2)CC[N@@H+]1C ZINC000998003881 705164839 /nfs/dbraw/zinc/16/48/39/705164839.db2.gz DOSYMDJXJVJWSI-RDJZCZTQSA-N 2 0 345.491 1.535 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC(C[NH2+][C@H](C)c2ncccn2)CC1)[NH+](C)C ZINC000998047082 705243077 /nfs/dbraw/zinc/24/30/77/705243077.db2.gz NJLBKGWYCBXSGY-NVXWUHKLSA-N 2 0 347.507 1.952 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000998076565 705296290 /nfs/dbraw/zinc/29/62/90/705296290.db2.gz ACDVQJHOLUUFIU-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nccnc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000998076593 705296410 /nfs/dbraw/zinc/29/64/10/705296410.db2.gz AKVFCQRRAQQWFG-WMLDXEAASA-N 2 0 345.491 1.311 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1ncccn1 ZINC000998080928 705300573 /nfs/dbraw/zinc/30/05/73/705300573.db2.gz GANDZROZJOGLGV-CVEARBPZSA-N 2 0 345.491 1.708 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@@H]2C)CC1)c1cnccn1 ZINC000998081986 705308485 /nfs/dbraw/zinc/30/84/85/705308485.db2.gz MZXZGIXHKXRURU-JKSUJKDBSA-N 2 0 345.491 1.850 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3ccc(F)cn3)CC2)C1 ZINC000998082198 705308649 /nfs/dbraw/zinc/30/86/49/705308649.db2.gz OHFBGAZYARWPED-HNNXBMFYSA-N 2 0 348.466 1.891 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CCC[N@H+](CCO)CC1 ZINC000998098285 705338895 /nfs/dbraw/zinc/33/88/95/705338895.db2.gz OPRJKWXWMJQJFN-YESZJQIVSA-N 2 0 325.497 1.412 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC(C[NH2+]Cc3cnon3)CC2)CC1 ZINC000998137509 705402043 /nfs/dbraw/zinc/40/20/43/705402043.db2.gz UYRVZNHFJKPCAJ-UHFFFAOYSA-N 2 0 335.452 1.130 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3C[C@H](O)C2CCCCC2)CC1 ZINC001032603043 705421901 /nfs/dbraw/zinc/42/19/01/705421901.db2.gz MNGUGYIBMKQHTH-FHWLQOOXSA-N 2 0 349.519 1.555 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CCC[N@H+](CCn2cccn2)CC1 ZINC000998190456 705496162 /nfs/dbraw/zinc/49/61/62/705496162.db2.gz PYTPTIVLGOCAHK-ZWKOTPCHSA-N 2 0 347.507 1.538 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C[NH2+]C[C@@H]3CCCCO3)CC2)C1 ZINC000998215484 705535975 /nfs/dbraw/zinc/53/59/75/705535975.db2.gz AFRXEVFWKHFRSK-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998216753 705538977 /nfs/dbraw/zinc/53/89/77/705538977.db2.gz KMJVZEYLGHSLNZ-BBRMVZONSA-N 2 0 349.479 1.609 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C[NH2+]Cc3ccccn3)CC2)C1 ZINC000998217294 705539827 /nfs/dbraw/zinc/53/98/27/705539827.db2.gz ORCPIZWGONYBBD-KRWDZBQOSA-N 2 0 330.476 1.752 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)O1 ZINC000998224119 705552851 /nfs/dbraw/zinc/55/28/51/705552851.db2.gz XPNJJXSFCAUEOP-RDJZCZTQSA-N 2 0 335.492 1.478 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC(C[NH2+]Cc3coc(C4CC4)n3)CC2)C1 ZINC000998265424 705631935 /nfs/dbraw/zinc/63/19/35/705631935.db2.gz MHSFPWLZXVIFDN-MRXNPFEDSA-N 2 0 346.475 1.832 20 0 EDADRP COc1cccc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000998266214 705638181 /nfs/dbraw/zinc/63/81/81/705638181.db2.gz PGMZBVKWXPTHQW-SFHVURJKSA-N 2 0 345.487 1.975 20 0 EDADRP CCn1ccc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)n1 ZINC000998267949 705639428 /nfs/dbraw/zinc/63/94/28/705639428.db2.gz BBDVMSCJCDUJNC-UHFFFAOYSA-N 2 0 333.480 1.327 20 0 EDADRP Cc1csc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000998268079 705640128 /nfs/dbraw/zinc/64/01/28/705640128.db2.gz ASIMUOLOPLCJBG-OAHLLOKOSA-N 2 0 336.505 1.731 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)sc1C ZINC000998548380 705983830 /nfs/dbraw/zinc/98/38/30/705983830.db2.gz HEIXDJGOBDIGSL-YMAMQOFZSA-N 2 0 336.505 1.933 20 0 EDADRP COc1cc(C[NH2+]C2CC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)C2)sn1 ZINC000998553381 705991301 /nfs/dbraw/zinc/99/13/01/705991301.db2.gz WMYWIOFRSSPAHI-ORHYLEIMSA-N 2 0 338.477 1.325 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)sc1C ZINC000998724445 706156518 /nfs/dbraw/zinc/15/65/18/706156518.db2.gz UEHPVZQFKRWMPC-GJZGRUSLSA-N 2 0 336.505 1.935 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]Cc3cnnn3CC)C2)CC[N@@H+]1C ZINC000998792959 706239914 /nfs/dbraw/zinc/23/99/14/706239914.db2.gz GSVJEPGHZIQOTD-YQEWQEHLSA-N 2 0 348.495 1.107 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ccns3)C[C@H]2CC1 ZINC000946517168 706519406 /nfs/dbraw/zinc/51/94/06/706519406.db2.gz AKTLBULEPLKIHY-UXLLHSPISA-N 2 0 348.516 1.908 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](Cc3cncs3)C[C@H]2CC1 ZINC000946517585 706531592 /nfs/dbraw/zinc/53/15/92/706531592.db2.gz JCGVMIJMNCCUBY-UXLLHSPISA-N 2 0 348.516 1.908 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)Cn3cncc3C)C2)c1 ZINC000999124493 706548704 /nfs/dbraw/zinc/54/87/04/706548704.db2.gz DBKGGHNJTJDRNS-UHFFFAOYSA-N 2 0 342.443 1.979 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C(C)C)C2)nn1C ZINC000999145944 706559555 /nfs/dbraw/zinc/55/95/55/706559555.db2.gz TZOINRJFVXTOQL-AEFFLSMTSA-N 2 0 347.507 1.682 20 0 EDADRP Cc1ncccc1C[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC000999344904 706856353 /nfs/dbraw/zinc/85/63/53/706856353.db2.gz WQGFWTKGFHKFSI-UHFFFAOYSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)o1 ZINC000999348205 706860223 /nfs/dbraw/zinc/86/02/23/706860223.db2.gz MNLVJURHJGZJLW-HNNXBMFYSA-N 2 0 334.464 1.856 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC000999364328 706878029 /nfs/dbraw/zinc/87/80/29/706878029.db2.gz MBIQMRUQBLONMF-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP COc1nccc(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999366780 706880382 /nfs/dbraw/zinc/88/03/82/706880382.db2.gz ZUNWAYNWWFVLHP-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1)C1CC1 ZINC000999368907 706882087 /nfs/dbraw/zinc/88/20/87/706882087.db2.gz HOHHEYFTEZBVCB-ROUUACIJSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCc3ccns3)C2)C1 ZINC000999408394 706918087 /nfs/dbraw/zinc/91/80/87/706918087.db2.gz KALXZQNTJHNDDB-WLYUNCDWSA-N 2 0 336.505 1.606 20 0 EDADRP Cc1ncoc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000999409231 706919240 /nfs/dbraw/zinc/91/92/40/706919240.db2.gz QCBRBULLOIQKAZ-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000999436212 706943664 /nfs/dbraw/zinc/94/36/64/706943664.db2.gz UVYFADIAJMHUDB-SJORKVTESA-N 2 0 335.496 1.395 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999505091 707002343 /nfs/dbraw/zinc/00/23/43/707002343.db2.gz HJJKTQFPPNKEIQ-DAWZGUTISA-N 2 0 347.507 1.762 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)nn1 ZINC000999515042 707014144 /nfs/dbraw/zinc/01/41/44/707014144.db2.gz WWEZZSLHBIOHHL-HOTGVXAUSA-N 2 0 347.463 1.050 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cc(OC)ccn2)C1)[NH+](C)C ZINC000999495766 707032532 /nfs/dbraw/zinc/03/25/32/707032532.db2.gz LFCXCIGCFZLIAB-WMLDXEAASA-N 2 0 334.464 1.511 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CC[C@@H]2CCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999596814 707099704 /nfs/dbraw/zinc/09/97/04/707099704.db2.gz MPNCCBYACHLLQA-IRXDYDNUSA-N 2 0 335.492 1.765 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)n1 ZINC000999600766 707103164 /nfs/dbraw/zinc/10/31/64/707103164.db2.gz FICYZTISVAAXNT-MRXNPFEDSA-N 2 0 331.464 1.129 20 0 EDADRP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000999682300 707167728 /nfs/dbraw/zinc/16/77/28/707167728.db2.gz NOXVWRGRIRRXOC-LRVUVFPRSA-N 2 0 347.463 1.368 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]CC[C@H]2CCCCO2)C1 ZINC000999696398 707221023 /nfs/dbraw/zinc/22/10/23/707221023.db2.gz ABDBPCHVDLDVOC-OFLPRAFFSA-N 2 0 335.492 1.620 20 0 EDADRP CN(C(=O)C(C)(C)c1cnc[nH]1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999700837 707230753 /nfs/dbraw/zinc/23/07/53/707230753.db2.gz ZNIRCCCXSYSDJG-NFOMZHRRSA-N 2 0 334.464 1.693 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999687763 707241404 /nfs/dbraw/zinc/24/14/04/707241404.db2.gz JHBHTJLYDIRWBH-WWDZGPRUSA-N 2 0 347.507 1.421 20 0 EDADRP CO[C@@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)C[NH+]3CCC[C@@H]3C)CC[C@@H]2C1 ZINC000946779626 707244361 /nfs/dbraw/zinc/24/43/61/707244361.db2.gz QWDXDXJCFOIDOY-XLAORIBOSA-N 2 0 337.508 1.676 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)s1 ZINC000999838214 707409707 /nfs/dbraw/zinc/40/97/07/707409707.db2.gz UHSYAMXLGLPUTQ-WLYUNCDWSA-N 2 0 336.505 1.791 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001033297698 707412371 /nfs/dbraw/zinc/41/23/71/707412371.db2.gz RGXHAUYYCRRIEN-AEFFLSMTSA-N 2 0 347.503 1.972 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870245 707511954 /nfs/dbraw/zinc/51/19/54/707511954.db2.gz DEKMMMYCCDCEME-HNNXBMFYSA-N 2 0 333.480 1.375 20 0 EDADRP CC[N@@H+]1CC[C@H](n2cc(CNC(=O)[C@@H]3CC[NH+](CC(C)C)C3)nn2)C1 ZINC000999992795 707669310 /nfs/dbraw/zinc/66/93/10/707669310.db2.gz QJCVVXLAMIQIOQ-WBVHZDCISA-N 2 0 348.495 1.139 20 0 EDADRP Cc1conc1CN[C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983958 707830106 /nfs/dbraw/zinc/83/01/06/707830106.db2.gz SLJPOUNVWQCCAS-RDJZCZTQSA-N 2 0 346.475 1.938 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000921720837 707904060 /nfs/dbraw/zinc/90/40/60/707904060.db2.gz MJJSTCLNZPMZIX-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP COc1ccc(C)cc1CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001032781223 707966452 /nfs/dbraw/zinc/96/64/52/707966452.db2.gz OFGRVUZOHCWILZ-NJAFHUGGSA-N 2 0 343.471 1.740 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCCc2ccsc2)C1 ZINC001032781034 707966564 /nfs/dbraw/zinc/96/65/64/707966564.db2.gz HOBKOBATJABTSR-ULQDDVLXSA-N 2 0 333.501 1.918 20 0 EDADRP Cn1nccc1CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CC[NH+]1CCCCC1 ZINC001032801289 708082588 /nfs/dbraw/zinc/08/25/88/708082588.db2.gz OGQDOMYBSNAOKC-ROUUACIJSA-N 2 0 345.491 1.124 20 0 EDADRP Cc1noc(C)c1C[NH+]1CC=C(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001153618 708108115 /nfs/dbraw/zinc/10/81/15/708108115.db2.gz XMEUVCWUTFQISG-SUMWQHHRSA-N 2 0 346.475 1.737 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC001005183456 708133943 /nfs/dbraw/zinc/13/39/43/708133943.db2.gz IPFJWCLRBPZCST-HUUCEWRRSA-N 2 0 345.434 1.428 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033665938 708449383 /nfs/dbraw/zinc/44/93/83/708449383.db2.gz SKDCURPYSQMLKU-MSOLQXFVSA-N 2 0 344.503 1.737 20 0 EDADRP COCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033666027 708450158 /nfs/dbraw/zinc/45/01/58/708450158.db2.gz UAGICXYBCBTDKZ-OALUTQOASA-N 2 0 345.487 1.817 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033658798 708469796 /nfs/dbraw/zinc/46/97/96/708469796.db2.gz UPOWRGBBJIPYMT-QZTJIDSGSA-N 2 0 331.460 1.349 20 0 EDADRP Cc1nccnc1C[NH+]1CCC(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001002043553 708533995 /nfs/dbraw/zinc/53/39/95/708533995.db2.gz ROZGQGDAMSNSIZ-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CCOC)C2)o1 ZINC001033698893 708546367 /nfs/dbraw/zinc/54/63/67/708546367.db2.gz FDNIVEAKYRPBEU-HNNXBMFYSA-N 2 0 337.464 1.914 20 0 EDADRP O=C(NCC1CC[NH+](CCOC2CCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001002089225 708597166 /nfs/dbraw/zinc/59/71/66/708597166.db2.gz PAMDTEDRCKNZIL-FQEVSTJZSA-N 2 0 349.519 1.870 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CCN(Cc2nnc(C)o2)CC1 ZINC001002159361 708673404 /nfs/dbraw/zinc/67/34/04/708673404.db2.gz RKUQANNMOHIFSZ-INIZCTEOSA-N 2 0 349.479 1.581 20 0 EDADRP CC[C@H](F)C[NH+]1CCC(CNC(=O)[C@@H]2CN(CC)CCO2)CC1 ZINC001002138220 708675277 /nfs/dbraw/zinc/67/52/77/708675277.db2.gz JAEUAHZXQPJCFY-HOTGVXAUSA-N 2 0 329.460 1.283 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCOC2CCC2)C1 ZINC001033830964 708852956 /nfs/dbraw/zinc/85/29/56/708852956.db2.gz QRXVAIDNTKFKFC-HKUYNNGSSA-N 2 0 349.519 1.820 20 0 EDADRP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCn2cccn2)C1 ZINC001033837875 708867587 /nfs/dbraw/zinc/86/75/87/708867587.db2.gz KNLGFLFTTKZARW-IXDOHACOSA-N 2 0 333.480 1.146 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C2CC[NH+](C[C@@H]3CCCOC3)CC2)CC[N@@H+]1C ZINC001005407274 708937596 /nfs/dbraw/zinc/93/75/96/708937596.db2.gz OSCNDDBLQPTBOS-SOLBZPMBSA-N 2 0 337.508 1.676 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](C[C@@H](O)c2ccccc2)C1 ZINC001033922801 709078097 /nfs/dbraw/zinc/07/80/97/709078097.db2.gz OECCZXZGUYIIBQ-GUDVDZBRSA-N 2 0 345.487 1.737 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]Cc2cnc3n2CCOC3)ccn1 ZINC000921942112 709108360 /nfs/dbraw/zinc/10/83/60/709108360.db2.gz OLAOREYVBDFGAM-UHFFFAOYSA-N 2 0 331.420 1.039 20 0 EDADRP CCN(C(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCOC)C1 ZINC001033955539 709137060 /nfs/dbraw/zinc/13/70/60/709137060.db2.gz ZPJUTKOQRUWSGH-LJQANCHMSA-N 2 0 347.503 1.974 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](Cc2cnccc2C)C1 ZINC001034013969 709228072 /nfs/dbraw/zinc/22/80/72/709228072.db2.gz SFKWAGFKFXPOBB-SFHVURJKSA-N 2 0 342.487 1.909 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001034016025 709232642 /nfs/dbraw/zinc/23/26/42/709232642.db2.gz KPJUNYFYXSXAIU-DLBZAZTESA-N 2 0 349.519 1.820 20 0 EDADRP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921981396 709350742 /nfs/dbraw/zinc/35/07/42/709350742.db2.gz TWWZLQVBYUGFBG-SFHVURJKSA-N 2 0 332.423 1.709 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCCC[C@@H](NC(=O)[C@H]3CCC[N@H+]3C)C2)n1 ZINC001034130594 709400065 /nfs/dbraw/zinc/40/00/65/709400065.db2.gz JDHIMNCGEIUCSL-QZTJIDSGSA-N 2 0 347.507 1.565 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000922010191 709422419 /nfs/dbraw/zinc/42/24/19/709422419.db2.gz AWQLROASZNBORV-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP COCC[N@@H+]1CCCC[C@H](NC(=O)C[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001034251114 709650639 /nfs/dbraw/zinc/65/06/39/709650639.db2.gz VWOMGZVZFURIMR-IRXDYDNUSA-N 2 0 325.497 1.866 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[NH+](C[C@@H](O)c3ccccc3)C2)C1 ZINC001032832467 709698636 /nfs/dbraw/zinc/69/86/36/709698636.db2.gz CCGTVVHOGKDQTC-RYQLBKOJSA-N 2 0 331.460 1.252 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](C[C@H]2CCOC2)C1)c1ccn2c[nH+]cc2c1 ZINC001034291633 709717232 /nfs/dbraw/zinc/71/72/32/709717232.db2.gz MYPQUPPXBFPGEI-NVXWUHKLSA-N 2 0 342.443 1.955 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCCC[NH+](CC3CCOCC3)C2)C1 ZINC001034490685 710109058 /nfs/dbraw/zinc/10/90/58/710109058.db2.gz MQIUJFOCWCUYSI-ROUUACIJSA-N 2 0 337.508 1.726 20 0 EDADRP Cn1cc(CC[N@@H+]2CCCC[C@H](NC(=O)C[C@H]3CC[NH+](C)C3)C2)cn1 ZINC001034491389 710111893 /nfs/dbraw/zinc/11/18/93/710111893.db2.gz UDOWQDXJHXKJQR-AEFFLSMTSA-N 2 0 347.507 1.275 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC1CCN(Cc2cncn2C)CC1 ZINC001003228891 710149784 /nfs/dbraw/zinc/14/97/84/710149784.db2.gz DWTXMSOPVPBPPW-GOSISDBHSA-N 2 0 347.507 1.621 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CCCC[NH+](Cc3ccc(CO)cc3)C2)C1 ZINC001034523977 710172547 /nfs/dbraw/zinc/17/25/47/710172547.db2.gz DASKINRKVOPROP-MOPGFXCFSA-N 2 0 345.487 1.601 20 0 EDADRP CCc1nc(C)c(C[N@@H+]2CCCC[C@H](NC(=O)[C@@H]3CC[NH+](C)C3)C2)o1 ZINC001034526487 710178310 /nfs/dbraw/zinc/17/83/10/710178310.db2.gz YPVBDRAPLMOKQK-CVEARBPZSA-N 2 0 348.491 1.968 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[N@@H+](Cc2ccc(CO)cc2)C1 ZINC001034529070 710183681 /nfs/dbraw/zinc/18/36/81/710183681.db2.gz WBOQTGIOWSAEGK-IBGZPJMESA-N 2 0 345.487 1.745 20 0 EDADRP O=C(NC1CC[NH+](CC[C@@H]2CCOC2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003309902 710239152 /nfs/dbraw/zinc/23/91/52/710239152.db2.gz GRWPBOGUPWAIOA-OAHLLOKOSA-N 2 0 342.443 1.955 20 0 EDADRP CC(C)CC[NH+]1CCC(NC(=O)[C@H]2C[N@@H+]3CC4CC3(C4)CO2)CC1 ZINC001003331270 710255572 /nfs/dbraw/zinc/25/55/72/710255572.db2.gz GFIBYPNZBDQRTO-URSIVYNOSA-N 2 0 335.492 1.476 20 0 EDADRP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034611581 710286115 /nfs/dbraw/zinc/28/61/15/710286115.db2.gz LTSZAUSANBSSFT-RBSFLKMASA-N 2 0 348.495 1.539 20 0 EDADRP Cc1cncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CN(C)CCO3)CC2)c1 ZINC001034613818 710289080 /nfs/dbraw/zinc/28/90/80/710289080.db2.gz BYDVOASCGFKOLU-BZSNNMDCSA-N 2 0 346.475 1.238 20 0 EDADRP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1)C(N)=O ZINC001034646860 710323401 /nfs/dbraw/zinc/32/34/01/710323401.db2.gz YJJGQEMXGIECQG-VGWMRTNUSA-N 2 0 338.496 1.140 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1ncccn1 ZINC001034647256 710323524 /nfs/dbraw/zinc/32/35/24/710323524.db2.gz BHUYPAIJYGABOT-BQJWPVKWSA-N 2 0 345.491 1.895 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)nc1 ZINC001034648010 710324634 /nfs/dbraw/zinc/32/46/34/710324634.db2.gz UKWNHEWFDIBHQJ-QBPKDAKJSA-N 2 0 345.491 1.642 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]C[C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC001034649617 710326258 /nfs/dbraw/zinc/32/62/58/710326258.db2.gz NNECQQWWXRVOCP-HSFUPAIVSA-N 2 0 337.508 1.770 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCCO2)CC1)[C@@H]1CCCc2nc[nH]c21 ZINC001003606582 710446722 /nfs/dbraw/zinc/44/67/22/710446722.db2.gz OEGINGPZUGSGCU-JKSUJKDBSA-N 2 0 346.475 1.979 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)[nH]1 ZINC001034734088 710915811 /nfs/dbraw/zinc/91/58/11/710915811.db2.gz KDWZGVSAIGKFMW-XRGAULLZSA-N 2 0 348.495 1.533 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3ccn(C)n3)CC2)C1 ZINC001034734477 710916200 /nfs/dbraw/zinc/91/62/00/710916200.db2.gz PFNYHURVGOUDTP-JYJNAYRXSA-N 2 0 333.480 1.279 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@H](C)C3)CC2)nn1C ZINC001034734559 710916690 /nfs/dbraw/zinc/91/66/90/710916690.db2.gz RGDCCJZXDFNIIN-XIRDDKMYSA-N 2 0 347.507 1.587 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@H]2C)CC1 ZINC001034736271 710923557 /nfs/dbraw/zinc/92/35/57/710923557.db2.gz VLTDSXFQNAMBPH-BZUAXINKSA-N 2 0 348.495 1.299 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCc2ccccc2F)C1 ZINC001032958845 710981158 /nfs/dbraw/zinc/98/11/58/710981158.db2.gz BQIFOIOZSBUCDQ-FUHWJXTLSA-N 2 0 333.451 1.995 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)n3)CC2)CC1 ZINC001034762193 710997502 /nfs/dbraw/zinc/99/75/02/710997502.db2.gz AKPCWPHXTFMOOW-WKILWMFISA-N 2 0 348.495 1.064 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](CCCO)CC1 ZINC001003940629 711033800 /nfs/dbraw/zinc/03/38/00/711033800.db2.gz LUGNAUGKEUHHQI-QGZVFWFLSA-N 2 0 325.497 1.604 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034792049 711118123 /nfs/dbraw/zinc/11/81/23/711118123.db2.gz CUVRZRWNNLBOKA-JYJNAYRXSA-N 2 0 331.464 1.254 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034793192 711121717 /nfs/dbraw/zinc/12/17/17/711121717.db2.gz RUGPYABBSKZDNP-JYJNAYRXSA-N 2 0 334.464 1.760 20 0 EDADRP CC[NH2+]Cc1ccc(CNC(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC001034826573 711229605 /nfs/dbraw/zinc/22/96/05/711229605.db2.gz PGWUQKQJDHUNGU-UHFFFAOYSA-N 2 0 329.448 1.484 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@@H]3CCOC3)cc2)C1 ZINC001034831956 711238602 /nfs/dbraw/zinc/23/86/02/711238602.db2.gz GRWFWBXIPXFEPR-ROUUACIJSA-N 2 0 331.460 1.381 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC[C@@H]1C[NH2+]CC1CC(F)(F)C1 ZINC001034942593 711395812 /nfs/dbraw/zinc/39/58/12/711395812.db2.gz ZNOUHSRFERBKJV-CVEARBPZSA-N 2 0 341.446 1.954 20 0 EDADRP COc1nccc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)n1 ZINC001034957013 711427804 /nfs/dbraw/zinc/42/78/04/711427804.db2.gz HTMVARMXYIFGFR-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3n(n1)CCCC3)C2 ZINC000922389762 711438401 /nfs/dbraw/zinc/43/84/01/711438401.db2.gz JWWPFMFDCUMCFI-YRXWBPOGSA-N 2 0 332.492 1.789 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]Cc2nccnc2C)CC[N@@H+]1C ZINC001034941014 711445272 /nfs/dbraw/zinc/44/52/72/711445272.db2.gz KZQFGEALOLZOGM-SOLBZPMBSA-N 2 0 345.491 1.596 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC001004147561 711559803 /nfs/dbraw/zinc/55/98/03/711559803.db2.gz KXJHISWNMGNCLC-UHFFFAOYSA-N 2 0 349.450 1.881 20 0 EDADRP NC(=O)CC1CC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000922512268 711641998 /nfs/dbraw/zinc/64/19/98/711641998.db2.gz PCRSVDVMFXLSGF-UHFFFAOYSA-N 2 0 331.460 1.905 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N(C)[C@H]1CCN(Cc2ccn(C)n2)C1 ZINC001033151119 712117456 /nfs/dbraw/zinc/11/74/56/712117456.db2.gz IIMSTANHVSQLPT-ROUUACIJSA-N 2 0 347.507 1.716 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2O1 ZINC000378198203 282136886 /nfs/dbraw/zinc/13/68/86/282136886.db2.gz AJGLAYOXSRGOHN-KGLIPLIRSA-N 2 0 335.473 1.437 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1=CC[N@H+](C)CC1)c1ccc(F)cc1 ZINC000272064358 282174989 /nfs/dbraw/zinc/17/49/89/282174989.db2.gz INUNBFGUEWWDSP-KRWDZBQOSA-N 2 0 334.439 1.990 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000183517293 529798743 /nfs/dbraw/zinc/79/87/43/529798743.db2.gz ABTHMTMRXAFKHO-UHFFFAOYSA-N 2 0 332.448 1.332 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000093663993 539522988 /nfs/dbraw/zinc/52/29/88/539522988.db2.gz CBKWIXGSDDLQAN-IBGZPJMESA-N 2 0 347.503 1.781 20 0 EDADRP COc1ccc([C@H]([NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)C2CC2)cc1 ZINC000561402165 306287621 /nfs/dbraw/zinc/28/76/21/306287621.db2.gz FJAFHIIXQJVKRS-IEBWSBKVSA-N 2 0 333.476 1.344 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000151934156 539779907 /nfs/dbraw/zinc/77/99/07/539779907.db2.gz XIGPOJVGXJHLLE-UONOGXRCSA-N 2 0 339.505 1.976 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N(C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000345362503 539829631 /nfs/dbraw/zinc/82/96/31/539829631.db2.gz FOUPDRXZGOGYOH-HOTGVXAUSA-N 2 0 342.528 1.451 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000562809240 306310137 /nfs/dbraw/zinc/31/01/37/306310137.db2.gz HBASCXMYHOAIHM-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CC[NH+](C)CC1 ZINC000159211581 540006164 /nfs/dbraw/zinc/00/61/64/540006164.db2.gz GZFRLHGHPRYFIN-INIZCTEOSA-N 3 0 331.508 1.653 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H](C)[NH2+]C1CC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000563157660 306320787 /nfs/dbraw/zinc/32/07/87/306320787.db2.gz KRPWLWQMYJLULY-GOEBONIOSA-N 2 0 345.491 1.514 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)[C@@H]2CCCCC[NH2+]2)CCC[N@@H+]1C ZINC000563161318 306321107 /nfs/dbraw/zinc/32/11/07/306321107.db2.gz XOXUABTVVPEPNP-YQQAZPJKSA-N 2 0 333.480 1.451 20 0 EDADRP [NH3+]CCC1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000563340055 306328261 /nfs/dbraw/zinc/32/82/61/306328261.db2.gz ZDFGMAYSLDWXIB-GOSISDBHSA-N 2 0 330.476 1.881 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(Cn3cccn3)CC2)CC1 ZINC000105920322 540190852 /nfs/dbraw/zinc/19/08/52/540190852.db2.gz OVCVXTUQXZIZAJ-UHFFFAOYSA-N 2 0 333.480 1.196 20 0 EDADRP CCC[N@H+](CCO)CC(=O)N1CCC[NH+](Cc2ccc(C)cc2)CC1 ZINC000052691097 138139233 /nfs/dbraw/zinc/13/92/33/138139233.db2.gz CQPPSMKGZOHEEY-UHFFFAOYSA-N 2 0 347.503 1.734 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C1 ZINC000563559305 306338840 /nfs/dbraw/zinc/33/88/40/306338840.db2.gz UYRXBMAXVPEDIF-HZMVEIRTSA-N 2 0 338.496 1.112 20 0 EDADRP CC[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])Oc1ccccc1C ZINC000563588489 306340184 /nfs/dbraw/zinc/34/01/84/306340184.db2.gz PTMBWCPANIJAKD-HOTGVXAUSA-N 2 0 334.464 1.437 20 0 EDADRP C[C@]1(C[NH3+])CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000563608586 306341675 /nfs/dbraw/zinc/34/16/75/306341675.db2.gz PFZQGWYZAMVPKC-KVSKMBFKSA-N 2 0 348.466 1.899 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3CC[NH2+][C@H]3C)CC2)c1 ZINC000563621113 306342487 /nfs/dbraw/zinc/34/24/87/306342487.db2.gz UAKADQMCYQHYEG-HKUYNNGSSA-N 2 0 344.503 1.621 20 0 EDADRP CC(C)CC[C@@H](O)C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000563704683 306345603 /nfs/dbraw/zinc/34/56/03/306345603.db2.gz ANDCNJAJMKDARG-QGZVFWFLSA-N 2 0 327.513 1.170 20 0 EDADRP C[C@@H](NC(=O)[C@]12C[C@H]1CC[NH2+]2)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000563889989 306351632 /nfs/dbraw/zinc/35/16/32/306351632.db2.gz ZCSXIRMYCGPCPW-LPMFXHHGSA-N 2 0 346.450 1.507 20 0 EDADRP CNC(=O)NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471834698 283346868 /nfs/dbraw/zinc/34/68/68/283346868.db2.gz SVJNAAKUEIYERU-IAGOWNOFSA-N 2 0 346.475 1.504 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2cccc(OC)c2)C1 ZINC000413836907 304079857 /nfs/dbraw/zinc/07/98/57/304079857.db2.gz LYHZJYJAZKVFRE-KRWDZBQOSA-N 2 0 348.491 1.863 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000133095295 535441377 /nfs/dbraw/zinc/44/13/77/535441377.db2.gz SSDMVFBRHRNLGX-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000423176776 299293621 /nfs/dbraw/zinc/29/36/21/299293621.db2.gz HSZKTRBJTWFLII-AWEZNQCLSA-N 2 0 340.493 1.004 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)C1 ZINC000564837925 306366383 /nfs/dbraw/zinc/36/63/83/306366383.db2.gz SEXSGXYRODXWOR-POAQFYNOSA-N 2 0 327.472 1.860 20 0 EDADRP C[C@@H]1C[N@@H+](CCCCNC(=O)c2ccccc2CC[NH3+])C[C@H](C)O1 ZINC000565152260 306376180 /nfs/dbraw/zinc/37/61/80/306376180.db2.gz ZGOKIFZBCRFABF-IYBDPMFKSA-N 2 0 333.476 1.807 20 0 EDADRP COC1(C[C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CCC1 ZINC000414184498 304104835 /nfs/dbraw/zinc/10/48/35/304104835.db2.gz FVRVFTWCTPUMCY-KRWDZBQOSA-N 2 0 339.524 1.720 20 0 EDADRP C[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000414698240 304129449 /nfs/dbraw/zinc/12/94/49/304129449.db2.gz ITQOYVORLYPDIY-MJGOQNOKSA-N 2 0 344.503 1.785 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H](C)C[NH+]2CCCC2)cc1 ZINC000414728081 304133913 /nfs/dbraw/zinc/13/39/13/304133913.db2.gz BNKTUNRJCZLTKM-CQSZACIVSA-N 2 0 332.448 1.193 20 0 EDADRP CC(C)[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+]1CCCC1 ZINC000414740377 304135252 /nfs/dbraw/zinc/13/52/52/304135252.db2.gz QYGBGCSUDACUPV-MRXNPFEDSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3[C@H](C2)OCCN3Cc2ccccc2)CC[NH2+]1 ZINC000414757606 304137563 /nfs/dbraw/zinc/13/75/63/304137563.db2.gz LLMDWKINVFVQOG-AFYVEPGGSA-N 2 0 329.488 1.960 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000414796296 304141717 /nfs/dbraw/zinc/14/17/17/304141717.db2.gz HJGGKKGBAIWHSY-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc(Cl)c1OCC(N)=O ZINC000414797333 304141762 /nfs/dbraw/zinc/14/17/62/304141762.db2.gz INKPMRODQQNYRJ-AAEUAGOBSA-N 2 0 341.839 1.430 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[NH+](C)C ZINC000414847371 304147342 /nfs/dbraw/zinc/14/73/42/304147342.db2.gz UTPMYUAIXVXMBJ-MRXNPFEDSA-N 2 0 334.464 1.566 20 0 EDADRP CCOc1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414991010 304148801 /nfs/dbraw/zinc/14/88/01/304148801.db2.gz PVJBZRUZXXMKAQ-MJGOQNOKSA-N 2 0 331.460 1.822 20 0 EDADRP C[NH+](C)CCN(C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCC1 ZINC000415074088 304157359 /nfs/dbraw/zinc/15/73/59/304157359.db2.gz BVMJUDFYNKRPFR-UHFFFAOYSA-N 2 0 344.459 1.561 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[NH3+])C1)c1nc(C2CCCCC2)no1 ZINC000415092773 304159184 /nfs/dbraw/zinc/15/91/84/304159184.db2.gz BGZVLTQIJYYYTH-UONOGXRCSA-N 2 0 349.479 1.965 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)cs1 ZINC000194758099 139000149 /nfs/dbraw/zinc/00/01/49/139000149.db2.gz PUADBNVCPBMWJJ-UHFFFAOYSA-N 2 0 344.484 1.992 20 0 EDADRP [NH3+]CCc1nc(C(=O)N2CC[NH+](CC3CCCCC3)CC2)cs1 ZINC000194827215 139000852 /nfs/dbraw/zinc/00/08/52/139000852.db2.gz CNMJZOLZNWFTMV-UHFFFAOYSA-N 2 0 336.505 1.982 20 0 EDADRP C[C@H](CNC(=O)c1csc(CC[NH3+])n1)[N@@H+]1CCc2ccccc2C1 ZINC000194832566 139001006 /nfs/dbraw/zinc/00/10/06/139001006.db2.gz IXMFZLMTCPBOFV-CYBMUJFWSA-N 2 0 344.484 1.821 20 0 EDADRP COc1ccc(OC)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000415120953 304161662 /nfs/dbraw/zinc/16/16/62/304161662.db2.gz GUZOIKXFSWVBSG-HNNXBMFYSA-N 2 0 331.420 1.591 20 0 EDADRP Cc1cccc(C[N@@H+]2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000415136003 304162957 /nfs/dbraw/zinc/16/29/57/304162957.db2.gz GTWHVUPOXLKMGX-ROUUACIJSA-N 2 0 328.460 1.715 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000415136033 304163027 /nfs/dbraw/zinc/16/30/27/304163027.db2.gz WZNWJIBWHJPSTA-OAHLLOKOSA-N 2 0 346.475 1.535 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195222581 139010685 /nfs/dbraw/zinc/01/06/85/139010685.db2.gz LMPQVNJDXBFWBV-HDICACEKSA-N 2 0 342.487 1.267 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000195519163 139019511 /nfs/dbraw/zinc/01/95/11/139019511.db2.gz UIXQBSGKXGEMNE-UHFFFAOYSA-N 2 0 325.403 1.855 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415159762 304167872 /nfs/dbraw/zinc/16/78/72/304167872.db2.gz GYHXWRLYXUOHSF-UHFFFAOYSA-N 2 0 334.464 1.664 20 0 EDADRP CCC[C@@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000236942484 139035760 /nfs/dbraw/zinc/03/57/60/139035760.db2.gz LIJUAWRHOJOIHC-GOSISDBHSA-N 2 0 332.492 1.832 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000237065963 139039708 /nfs/dbraw/zinc/03/97/08/139039708.db2.gz ZLSIGZZAJLYKCG-UHFFFAOYSA-N 2 0 342.447 1.825 20 0 EDADRP COc1cc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)ccc1OCC[NH+](C)C ZINC000237130248 139041578 /nfs/dbraw/zinc/04/15/78/139041578.db2.gz ZLALKGBSCJWPRR-MRXNPFEDSA-N 2 0 337.464 1.625 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000237195166 139043709 /nfs/dbraw/zinc/04/37/09/139043709.db2.gz FOHNZUJVXSXNJS-HOTGVXAUSA-N 2 0 325.497 1.629 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]([NH3+])c2ccccc2)c1 ZINC000237202725 139044186 /nfs/dbraw/zinc/04/41/86/139044186.db2.gz IIUDNBXLZGNROG-GOSISDBHSA-N 2 0 327.428 1.943 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)[C@H]([NH3+])Cc2ccccc2)c1 ZINC000237202692 139044231 /nfs/dbraw/zinc/04/42/31/139044231.db2.gz LVWSMAVAOGTEBO-LJQANCHMSA-N 2 0 341.455 1.813 20 0 EDADRP C[C@@H]1CN(C(=O)C[C@@H]2CN(Cc3ccccc3)CCO2)[C@@H](C)C[NH2+]1 ZINC000237585466 139054791 /nfs/dbraw/zinc/05/47/91/139054791.db2.gz RMBNJHBRDJFGSA-SOLBZPMBSA-N 2 0 331.460 1.486 20 0 EDADRP Cc1cc(C[NH+]2CCSCC2)ccc1NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000237609414 139055523 /nfs/dbraw/zinc/05/55/23/139055523.db2.gz NXFDLHZNKXOSRM-INIZCTEOSA-N 2 0 335.473 1.471 20 0 EDADRP [NH3+]CCCC(=O)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC000237903666 139063280 /nfs/dbraw/zinc/06/32/80/139063280.db2.gz USBGOPCTPDYRFV-UHFFFAOYSA-N 2 0 325.840 1.602 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238000675 139066119 /nfs/dbraw/zinc/06/61/19/139066119.db2.gz HBPJBCRUDYONFP-QGZVFWFLSA-N 2 0 349.519 1.775 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCC2)c1)NC[C@H]1C[NH2+]CCO1 ZINC000567594301 306456217 /nfs/dbraw/zinc/45/62/17/306456217.db2.gz IISLLQJYQGRTMH-QGZVFWFLSA-N 2 0 332.448 1.070 20 0 EDADRP Cc1cc(NC(=O)N[C@H](C[NH3+])CC(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000415252361 304179339 /nfs/dbraw/zinc/17/93/39/304179339.db2.gz ODPMOIOLDUOLNL-AWEZNQCLSA-N 2 0 336.484 1.953 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@@H]([NH3+])C2)c1 ZINC000415274354 304183243 /nfs/dbraw/zinc/18/32/43/304183243.db2.gz UGKDPWJZCCMZCX-OAHLLOKOSA-N 2 0 332.448 1.417 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000246262839 139101564 /nfs/dbraw/zinc/10/15/64/139101564.db2.gz ZAWDSHOGALLOMN-GJZGRUSLSA-N 2 0 344.459 1.530 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000246656696 139116632 /nfs/dbraw/zinc/11/66/32/139116632.db2.gz UDQHKTZUWKCKNN-DOTOQJQBSA-N 2 0 328.501 1.253 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000247032795 139132433 /nfs/dbraw/zinc/13/24/33/139132433.db2.gz GJFCALIHOFSLRE-YVSFHVDLSA-N 2 0 325.497 1.530 20 0 EDADRP CSCC[C@@H](C)[N@H+](C)CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000247234747 139141618 /nfs/dbraw/zinc/14/16/18/139141618.db2.gz XZAKPGSTGJXKOI-CVEARBPZSA-N 2 0 345.553 1.533 20 0 EDADRP COCc1cccc(CNC(=O)CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000247964442 139156237 /nfs/dbraw/zinc/15/62/37/139156237.db2.gz GPUHKROPBTZIMC-RTBURBONSA-N 2 0 345.487 1.865 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](CC(C)(C)O)[C@@H](C)C2)C1 ZINC000249118741 139186222 /nfs/dbraw/zinc/18/62/22/139186222.db2.gz PDUPPLUWXNWJSQ-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CNS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000251513569 139201753 /nfs/dbraw/zinc/20/17/53/139201753.db2.gz CGHBSJLGYFTYAO-GVDBMIGSSA-N 2 0 337.489 1.036 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000261602465 139209759 /nfs/dbraw/zinc/20/97/59/139209759.db2.gz AKFBIYUVMYDRCG-GDBMZVCRSA-N 2 0 330.432 1.074 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261659416 139215267 /nfs/dbraw/zinc/21/52/67/139215267.db2.gz BXOXQNOOMMJDKK-CALCHBBNSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000261755329 139223397 /nfs/dbraw/zinc/22/33/97/139223397.db2.gz VGFLLKJSKRCIDZ-SQNIBIBYSA-N 2 0 334.508 1.147 20 0 EDADRP Cc1cc(N2CCN(C(=O)CC[C@H]3CC[NH2+]C3)CC2)nc(C(C)C)n1 ZINC000261792835 139226405 /nfs/dbraw/zinc/22/64/05/139226405.db2.gz CYIFEQGPUSUYQN-INIZCTEOSA-N 2 0 345.491 1.947 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)C3([NH3+])CCOCC3)CC2)CC1 ZINC000261829437 139229666 /nfs/dbraw/zinc/22/96/66/139229666.db2.gz KWMXKAWTZGYKAA-UHFFFAOYSA-N 2 0 337.508 1.853 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261951610 139239431 /nfs/dbraw/zinc/23/94/31/139239431.db2.gz PRVAOJPVAAYROV-QGZVFWFLSA-N 2 0 328.460 1.552 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NCc2ccc(COC)cc2)CC1 ZINC000261979807 139241576 /nfs/dbraw/zinc/24/15/76/139241576.db2.gz HLPHJYDKZZHXLD-UHFFFAOYSA-N 2 0 333.476 1.771 20 0 EDADRP CCc1nc(CN(C(C)=O)[C@H]2CC[N@H+](CC3CC[NH2+]CC3)C2)no1 ZINC000262006141 139243418 /nfs/dbraw/zinc/24/34/18/139243418.db2.gz UOAGIEHGEJKBGN-HNNXBMFYSA-N 2 0 335.452 1.054 20 0 EDADRP Cc1ccccc1[C@H]1C[N@H+](CCC(=O)N2CC[NH2+]CC2)[C@H](C)CO1 ZINC000262074865 139248945 /nfs/dbraw/zinc/24/89/45/139248945.db2.gz KGKXTNUOSOPRAJ-SJLPKXTDSA-N 2 0 331.460 1.579 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000414906735 250884618 /nfs/dbraw/zinc/88/46/18/250884618.db2.gz POHIDQRACBVHEQ-MRXNPFEDSA-N 2 0 346.475 1.677 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C2CCCCC2)n1 ZINC000262099442 139250838 /nfs/dbraw/zinc/25/08/38/139250838.db2.gz IKGKFCQQVPEVJV-SFHVURJKSA-N 2 0 331.508 1.947 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CCN(C(=O)Nc3ccc(OCC[NH3+])cc3)C2)C1 ZINC000415946051 251036117 /nfs/dbraw/zinc/03/61/17/251036117.db2.gz MOBPVGUDDJRVRI-GOSISDBHSA-N 2 0 332.448 1.974 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000262210833 139260280 /nfs/dbraw/zinc/26/02/80/139260280.db2.gz IVADBFFWJXVJDS-MRXNPFEDSA-N 2 0 347.507 1.589 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC(C)(C)C[NH3+])[NH+](C)C)cc1OC ZINC000416831233 251112847 /nfs/dbraw/zinc/11/28/47/251112847.db2.gz SLWCNAPDRRZVMQ-ZDUSSCGKSA-N 2 0 338.452 1.343 20 0 EDADRP CO[C@H]1CCN(C(=O)NCCC[NH+]2CCC(C)CC2)[C@H](C[NH3+])C1 ZINC000416871332 251113634 /nfs/dbraw/zinc/11/36/34/251113634.db2.gz JRSAUBRXALQNEW-HOTGVXAUSA-N 2 0 326.485 1.256 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000417009132 251128439 /nfs/dbraw/zinc/12/84/39/251128439.db2.gz MTYWZPNXFPHHGZ-QZTJIDSGSA-N 2 0 332.492 1.991 20 0 EDADRP CO[C@H]1CCN(C(=O)NCCC[N@H+](C)C2CCCCC2)[C@@H](C[NH3+])C1 ZINC000417018372 251134207 /nfs/dbraw/zinc/13/42/07/251134207.db2.gz HSMREFDYTXLHPA-SJORKVTESA-N 2 0 340.512 1.789 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000262339880 139271450 /nfs/dbraw/zinc/27/14/50/139271450.db2.gz HUJXIMNIAWWKLE-INIZCTEOSA-N 2 0 335.473 1.552 20 0 EDADRP CC1(C)COCCN1CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000417499247 251180724 /nfs/dbraw/zinc/18/07/24/251180724.db2.gz FOSHXJBWFZRTFC-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC[C@@H]2CCC[NH2+]C2)CC1 ZINC000417543363 251184755 /nfs/dbraw/zinc/18/47/55/251184755.db2.gz GAEBLFJHHYITPO-HNNXBMFYSA-N 2 0 340.512 1.565 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000417557311 251187299 /nfs/dbraw/zinc/18/72/99/251187299.db2.gz RGIZOXVJRWJHCL-FUHWJXTLSA-N 2 0 340.512 1.709 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@H]3COCC[NH2+]3)cc2)CC1 ZINC000262359957 139272996 /nfs/dbraw/zinc/27/29/96/139272996.db2.gz KFLDRNBDAUGROF-SFHVURJKSA-N 2 0 346.475 1.141 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCCO[C@@H](C[NH3+])C2)C1 ZINC000417587867 251200240 /nfs/dbraw/zinc/20/02/40/251200240.db2.gz SREKUYXIYKWTJW-CVEARBPZSA-N 2 0 340.512 1.646 20 0 EDADRP C[C@@H](CC(=O)Nc1ccccc1C(=O)NCC[NH3+])C1CC[NH2+]CC1 ZINC000262402704 139276635 /nfs/dbraw/zinc/27/66/35/139276635.db2.gz MPDGKQUMWJOBRA-ZDUSSCGKSA-N 2 0 332.448 1.339 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2F)N(C)C)CC[C@H]1[NH3+] ZINC000417660626 251216956 /nfs/dbraw/zinc/21/69/56/251216956.db2.gz NMSOQLFLPYPUFQ-KCPJHIHWSA-N 2 0 340.418 1.946 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+][C@@H](C)C2)[C@@H](C)C1 ZINC000417667354 251221135 /nfs/dbraw/zinc/22/11/35/251221135.db2.gz GJQGSEMAULDFSE-HRCADAONSA-N 2 0 326.485 1.127 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@@H]2CC[NH2+]C2)[C@H](C)C1 ZINC000417666961 251221764 /nfs/dbraw/zinc/22/17/64/251221764.db2.gz FGUXHURVKJXVSV-IKGGRYGDSA-N 2 0 340.512 1.422 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CC[NH2+]C[C@H]2C)[C@@H](C)C1 ZINC000417670636 251223239 /nfs/dbraw/zinc/22/32/39/251223239.db2.gz OPHZTEBXJORKKH-ARFHVFGLSA-N 2 0 326.485 1.127 20 0 EDADRP CCc1ccccc1[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000417719053 251240879 /nfs/dbraw/zinc/24/08/79/251240879.db2.gz WERDMSCPIYJCEP-WBVHZDCISA-N 2 0 334.464 1.269 20 0 EDADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)N1CC[NH2+]C[C@H]1C ZINC000417723850 251242858 /nfs/dbraw/zinc/24/28/58/251242858.db2.gz CSOMRMGVYMHHGW-DLBZAZTESA-N 2 0 345.491 1.200 20 0 EDADRP COCC1(C(=O)NCc2ccccc2OCC[NH+](C)C)CC[NH2+]CC1 ZINC000262448373 139279717 /nfs/dbraw/zinc/27/97/17/139279717.db2.gz ZCRNOHCTJHYKNK-UHFFFAOYSA-N 2 0 349.475 1.259 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000417750186 251254705 /nfs/dbraw/zinc/25/47/05/251254705.db2.gz KFDQCQMXJVGQBU-ZACQAIPSSA-N 2 0 339.528 1.077 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)N2CC[C@@H](OC)C[C@H]2C[NH3+])CC1 ZINC000417752504 251256643 /nfs/dbraw/zinc/25/66/43/251256643.db2.gz RETSFGFXLIRBCQ-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000417828519 251287035 /nfs/dbraw/zinc/28/70/35/251287035.db2.gz QHDYIKJPONPKMC-ZBFHGGJFSA-N 2 0 336.455 1.884 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)Cc1ccc(F)cc1 ZINC000417833711 251290158 /nfs/dbraw/zinc/29/01/58/251290158.db2.gz UMOQJMHGRSOVTG-HZPDHXFCSA-N 2 0 334.439 1.508 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)N1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000418476976 251373897 /nfs/dbraw/zinc/37/38/97/251373897.db2.gz UHWSCBWRSYWSTB-HRCADAONSA-N 2 0 340.512 1.502 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000418144077 251343272 /nfs/dbraw/zinc/34/32/72/251343272.db2.gz MXXROKOTSQDMHM-QYZOEREBSA-N 2 0 342.487 1.900 20 0 EDADRP O=C(NC1CC[NH2+]CC1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418306161 251358496 /nfs/dbraw/zinc/35/84/96/251358496.db2.gz JQEPITKLHMVYDY-CZUORRHYSA-N 2 0 338.402 1.462 20 0 EDADRP [NH3+]C1(CNC(=O)NCC[C@H]2CCC[NH2+]C2)C2CC3CC(C2)CC1C3 ZINC000418345964 251361666 /nfs/dbraw/zinc/36/16/66/251361666.db2.gz MBFNPFPRXBLGTB-ZXZQKFIBSA-N 2 0 334.508 1.829 20 0 EDADRP C[NH+](C)CCN(Cc1ccsc1)C(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418708800 251392158 /nfs/dbraw/zinc/39/21/58/251392158.db2.gz JKGSHTFLQUAAIB-LBPRGKRZSA-N 2 0 334.436 1.804 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000418714541 251393348 /nfs/dbraw/zinc/39/33/48/251393348.db2.gz YQTLOLWHPNWAGP-INMHGKMJSA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@@H]1C[N@H+](CC)CCN1C(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000418685500 251386790 /nfs/dbraw/zinc/38/67/90/251386790.db2.gz MSYFVGZXPOZQMA-FGTMMUONSA-N 2 0 330.476 1.868 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000262654218 139293401 /nfs/dbraw/zinc/29/34/01/139293401.db2.gz SXQWWVCMTKJOIE-ZWKOTPCHSA-N 2 0 344.503 1.832 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000262659164 139293885 /nfs/dbraw/zinc/29/38/85/139293885.db2.gz WNTGEHKTXRVIKP-NVXWUHKLSA-N 2 0 344.459 1.465 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262671663 139295115 /nfs/dbraw/zinc/29/51/15/139295115.db2.gz ONIPFKJTVDPJRY-PBHICJAKSA-N 2 0 346.475 1.824 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000262672346 139295259 /nfs/dbraw/zinc/29/52/59/139295259.db2.gz PEBJMEFUMZMBOG-SFHVURJKSA-N 2 0 331.460 1.127 20 0 EDADRP COC[C@@H](CCC[NH3+])[NH2+]C[C@H]1CSCCN1Cc1ccccc1 ZINC000423070976 252033691 /nfs/dbraw/zinc/03/36/91/252033691.db2.gz DSLVTIDDMVNAQH-MSOLQXFVSA-N 2 0 337.533 1.948 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423354018 252050819 /nfs/dbraw/zinc/05/08/19/252050819.db2.gz CMGFPBNNUOQXTJ-KBPBESRZSA-N 2 0 336.484 1.113 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@H]2CCNCC2(F)F)cc1 ZINC000423484429 252055089 /nfs/dbraw/zinc/05/50/89/252055089.db2.gz SQACHNJMWYSTCO-WCQYABFASA-N 2 0 347.431 1.490 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000423645278 252063747 /nfs/dbraw/zinc/06/37/47/252063747.db2.gz KSFFZGFLXFWHCL-AEFFLSMTSA-N 2 0 330.476 1.537 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000422913365 252019935 /nfs/dbraw/zinc/01/99/35/252019935.db2.gz PVKUFSVBQRHQLI-OALUTQOASA-N 3 0 344.503 1.729 20 0 EDADRP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)c2)CC1 ZINC000423850557 252090359 /nfs/dbraw/zinc/09/03/59/252090359.db2.gz QXWXJIFCZCMNNS-QZTJIDSGSA-N 2 0 331.460 1.622 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@H](n2cc(C[NH3+])nn2)C1)[NH+]1CCCCC1 ZINC000423995707 252109805 /nfs/dbraw/zinc/10/98/05/252109805.db2.gz FFTDBQTZZYGHHO-IRXDYDNUSA-N 2 0 348.495 1.411 20 0 EDADRP C[C@@H]1C[C@@H](C)[C@@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)O1 ZINC000424020543 252116487 /nfs/dbraw/zinc/11/64/87/252116487.db2.gz PJENNPYWTKSGSL-NUJGCVRESA-N 2 0 345.487 1.910 20 0 EDADRP CCOCCOCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424019893 252116574 /nfs/dbraw/zinc/11/65/74/252116574.db2.gz NDBBYMUOTLASPJ-UHFFFAOYSA-N 2 0 349.475 1.149 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424143841 252141886 /nfs/dbraw/zinc/14/18/86/252141886.db2.gz GMQBTTKJMFJFNX-OAHLLOKOSA-N 2 0 336.484 1.445 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424214478 252164215 /nfs/dbraw/zinc/16/42/15/252164215.db2.gz CMNGQGCSECTFMP-OKZBNKHCSA-N 2 0 329.444 1.098 20 0 EDADRP CC[NH+](CC)CCCCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000424131206 252133290 /nfs/dbraw/zinc/13/32/90/252133290.db2.gz IMTMNXCMKLAIOK-HNNXBMFYSA-N 2 0 335.496 1.739 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCCC(C)(C)C2)C1 ZINC000445150913 285055340 /nfs/dbraw/zinc/05/53/40/285055340.db2.gz PMFKQKXUGIBVHG-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP COCC[N@H+](C)CCNC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000263810663 139362021 /nfs/dbraw/zinc/36/20/21/139362021.db2.gz WLVJHPYGOCANTM-UHFFFAOYSA-N 2 0 333.476 1.593 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NC1CC[NH+](C)CC1 ZINC000173391132 285243489 /nfs/dbraw/zinc/24/34/89/285243489.db2.gz DYNUDCPORGQJQB-QGZVFWFLSA-N 3 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)NCC(C)(C)[NH+](C)C ZINC000487884449 255038402 /nfs/dbraw/zinc/03/84/02/255038402.db2.gz VFDVJXYLHMOXJM-UHFFFAOYSA-N 2 0 334.464 1.186 20 0 EDADRP C[C@@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492608746 255183194 /nfs/dbraw/zinc/18/31/94/255183194.db2.gz MGUWEWBBTMLPTK-HNNXBMFYSA-N 2 0 342.528 1.857 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1cc(F)cc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000493145733 255193185 /nfs/dbraw/zinc/19/31/85/255193185.db2.gz GLPHIHVJYLTMLP-CGXWXWIYSA-N 2 0 348.422 1.938 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000494556143 255253500 /nfs/dbraw/zinc/25/35/00/255253500.db2.gz TUYHHARTQUFGJL-HRCADAONSA-N 2 0 341.496 1.726 20 0 EDADRP CN(C(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC([NH3+])C1 ZINC000415790362 304272026 /nfs/dbraw/zinc/27/20/26/304272026.db2.gz OYMYXOPDJUUYJM-LDZOIKDWSA-N 2 0 330.432 1.122 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(CNC(=O)OC(C)(C)C)CC1 ZINC000496387854 255390541 /nfs/dbraw/zinc/39/05/41/255390541.db2.gz QIQPNOFIVZSFFN-OAHLLOKOSA-N 2 0 341.496 1.822 20 0 EDADRP CC[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000496248332 255370015 /nfs/dbraw/zinc/37/00/15/255370015.db2.gz VXUBNVBXJSSMPP-ZDUSSCGKSA-N 2 0 327.473 1.499 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861491 285278700 /nfs/dbraw/zinc/27/87/00/285278700.db2.gz QVSYZKFQTVFCLW-ZBFHGGJFSA-N 2 0 336.484 1.528 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000118118539 221123445 /nfs/dbraw/zinc/12/34/45/221123445.db2.gz HTBSUGQXNGLLDK-AWEZNQCLSA-N 2 0 334.464 1.533 20 0 EDADRP Cn1nccc1[C@H]1[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC(=O)N1C1CC1 ZINC000570583123 306545700 /nfs/dbraw/zinc/54/57/00/306545700.db2.gz VLBBPQJSYYKRLZ-ZFHGCVPZSA-N 2 0 331.464 1.474 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000166381303 533602463 /nfs/dbraw/zinc/60/24/63/533602463.db2.gz IAGROUHFJLQPFY-DLBZAZTESA-N 2 0 335.517 1.748 20 0 EDADRP CN(C(=O)c1cnn(CC[NH+]2CCCCC2)c1)C1CC[NH+](C)CC1 ZINC000369667093 155132057 /nfs/dbraw/zinc/13/20/57/155132057.db2.gz PNIVNTSJBCNPDC-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000271043881 140225897 /nfs/dbraw/zinc/22/58/97/140225897.db2.gz RLWDYHYKVORGFC-INIZCTEOSA-N 2 0 347.503 1.961 20 0 EDADRP C[NH+](C)C1(CNC(=O)CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000416302155 304306100 /nfs/dbraw/zinc/30/61/00/304306100.db2.gz NOLNUULAEDCXHE-UHFFFAOYSA-N 2 0 344.503 1.799 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000331475828 141035605 /nfs/dbraw/zinc/03/56/05/141035605.db2.gz IUBYKNZCANHEEO-GUYCJALGSA-N 2 0 337.489 1.509 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](NC(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)C1 ZINC000332163941 141133524 /nfs/dbraw/zinc/13/35/24/141133524.db2.gz UCTZWGNDZBARBD-DXEWXGHRSA-N 2 0 334.439 1.779 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332532481 141197420 /nfs/dbraw/zinc/19/74/20/141197420.db2.gz HQDUMTGRCUYMIS-VDNDLQMASA-N 2 0 334.439 1.650 20 0 EDADRP C[NH+](C)CC1CC[NH+](CC(=O)NC(=O)NCc2cccs2)CC1 ZINC000332575557 141206414 /nfs/dbraw/zinc/20/64/14/141206414.db2.gz YLYGKOUDDWBLSY-UHFFFAOYSA-N 2 0 338.477 1.348 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[NH+](C4CCCC4)CC3)cc2C1 ZINC000333258039 141288736 /nfs/dbraw/zinc/28/87/36/141288736.db2.gz DMRUEXSTAPCSAQ-OAHLLOKOSA-N 2 0 343.475 1.990 20 0 EDADRP O=C1c2ccccc2C(=O)N1[C@H]1CCCC[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000333348002 141303454 /nfs/dbraw/zinc/30/34/54/141303454.db2.gz ZSIXZHOTKMAMOG-WIHIRCLASA-N 2 0 339.439 1.791 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)NCc1cnc(N(C)C)n1C ZINC000333352738 141304094 /nfs/dbraw/zinc/30/40/94/141304094.db2.gz WADRJULCWIAQOF-KGLIPLIRSA-N 2 0 334.468 1.254 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)C1 ZINC000333353086 141304136 /nfs/dbraw/zinc/30/41/36/141304136.db2.gz JWSGXPRNXDXVIF-VQHPVUNQSA-N 2 0 338.496 1.397 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000333471118 141322618 /nfs/dbraw/zinc/32/26/18/141322618.db2.gz AKPVTGKTDQJZGG-FHZKDXSVSA-N 2 0 334.508 1.240 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@@H]1C[NH3+] ZINC000333580551 141340225 /nfs/dbraw/zinc/34/02/25/141340225.db2.gz NQWOJJGBWUHXOH-WBVHZDCISA-N 2 0 345.491 1.924 20 0 EDADRP C[C@H](NC(=O)N1CC[NH+](CC2CCOCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000333672675 141354125 /nfs/dbraw/zinc/35/41/25/141354125.db2.gz NKPIRGZKBRLSMR-RDJZCZTQSA-N 2 0 338.496 1.128 20 0 EDADRP CN(CC(F)(F)F)C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000336899858 141481076 /nfs/dbraw/zinc/48/10/76/141481076.db2.gz PYBFNDUWQSSMAX-UHFFFAOYSA-N 2 0 326.407 1.806 20 0 EDADRP C[C@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1CCOCC1 ZINC000339369362 142029084 /nfs/dbraw/zinc/02/90/84/142029084.db2.gz QRBQRCVCUYOYKQ-INIZCTEOSA-N 2 0 327.513 1.781 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000339636323 142102372 /nfs/dbraw/zinc/10/23/72/142102372.db2.gz NXQQSWAYHRKARL-CQSZACIVSA-N 2 0 340.512 1.068 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@@H](OCC[NH+]2CCCC2)C1 ZINC000339906386 142196687 /nfs/dbraw/zinc/19/66/87/142196687.db2.gz BIYDTTXFOGILKJ-QGZVFWFLSA-N 2 0 328.416 1.661 20 0 EDADRP Cc1nccn1CCNC(=O)N1CCN(Cc2cccs2)CC1 ZINC000340001822 142230967 /nfs/dbraw/zinc/23/09/67/142230967.db2.gz BXZNODAAUXYGPN-UHFFFAOYSA-N 2 0 333.461 1.780 20 0 EDADRP CS(=O)(=O)CC1CCC([NH2+]C[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000340197416 142299668 /nfs/dbraw/zinc/29/96/68/142299668.db2.gz JNTBURQWSAELMV-GPANFISMSA-N 2 0 332.510 1.026 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000345154448 143058544 /nfs/dbraw/zinc/05/85/44/143058544.db2.gz SWJBQLUGVOPEHX-UHFFFAOYSA-N 2 0 335.496 1.662 20 0 EDADRP CC[N@@H+]1C[C@@H](C)N(C(=O)NCCCC[NH+]2CCOCC2)C[C@@H]1C ZINC000345751580 143128873 /nfs/dbraw/zinc/12/88/73/143128873.db2.gz CRPLIASAKXJWGI-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C2)C1 ZINC000346325509 143192168 /nfs/dbraw/zinc/19/21/68/143192168.db2.gz NZYSSKYQUUGXJL-GOSISDBHSA-N 2 0 335.492 1.576 20 0 EDADRP COc1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1F ZINC000347100713 143282742 /nfs/dbraw/zinc/28/27/42/143282742.db2.gz LXNMRRCVBSJKIJ-HNNXBMFYSA-N 2 0 335.423 1.478 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)C1 ZINC000347164083 143289774 /nfs/dbraw/zinc/28/97/74/143289774.db2.gz PGSLLMMSDVSHIN-AEFFLSMTSA-N 2 0 348.491 1.435 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@H+](C)C1 ZINC000347314413 143307223 /nfs/dbraw/zinc/30/72/23/143307223.db2.gz RCYZNEVNARIXJS-BZUAXINKSA-N 2 0 342.528 1.713 20 0 EDADRP CC(C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000347866879 143372336 /nfs/dbraw/zinc/37/23/36/143372336.db2.gz LCGYYEPERDWXIP-KBAYOESNSA-N 2 0 349.523 1.848 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000347931360 143380601 /nfs/dbraw/zinc/38/06/01/143380601.db2.gz SFWRFGLYJQBQQU-ZWKOTPCHSA-N 2 0 346.475 1.469 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000348002954 143389950 /nfs/dbraw/zinc/38/99/50/143389950.db2.gz KRCCTVNBJYYMPM-KSZLIROESA-N 2 0 335.492 1.573 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000348019443 143391891 /nfs/dbraw/zinc/39/18/91/143391891.db2.gz YKMFJLAJHNLHBV-HXUWFJFHSA-N 2 0 346.519 1.913 20 0 EDADRP O=C(NCCN1CC[NH2+]CC1)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000416787044 304349280 /nfs/dbraw/zinc/34/92/80/304349280.db2.gz NRQJUVDFLAERBW-GOSISDBHSA-N 2 0 345.491 1.028 20 0 EDADRP C[C@H](NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000416843246 304351032 /nfs/dbraw/zinc/35/10/32/304351032.db2.gz OPEPYLKJPVDMOJ-JQHSSLGASA-N 2 0 332.492 1.847 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)CC[C@H]([NH3+])C(C)C)C1 ZINC000416867011 304353131 /nfs/dbraw/zinc/35/31/31/304353131.db2.gz KVVVDMFLXPORKI-HOTGVXAUSA-N 2 0 328.501 1.358 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000352639967 149098272 /nfs/dbraw/zinc/09/82/72/149098272.db2.gz JXPMXKMHSBUNRY-PKOBYXMFSA-N 2 0 347.503 1.791 20 0 EDADRP COc1cc2c(cc1C[NH2+]CC1(O)CC[NH+](C(C)C)CC1)OCO2 ZINC000353176670 149314326 /nfs/dbraw/zinc/31/43/26/149314326.db2.gz YFNXZDHPOYQNPT-UHFFFAOYSA-N 2 0 336.432 1.749 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000416960642 304355641 /nfs/dbraw/zinc/35/56/41/304355641.db2.gz RGQKCFCJXVRRRF-SJORKVTESA-N 2 0 341.544 1.273 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)CC(C)C ZINC000416961100 304355701 /nfs/dbraw/zinc/35/57/01/304355701.db2.gz RQVLZEXSOZHEBX-CVEARBPZSA-N 2 0 328.501 1.421 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C1 ZINC000416964675 304356439 /nfs/dbraw/zinc/35/64/39/304356439.db2.gz CHCFNNKLNITLMR-MRXNPFEDSA-N 2 0 348.491 1.381 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000416969701 304357296 /nfs/dbraw/zinc/35/72/96/304357296.db2.gz LDTNIMIIZPJBHP-GJZGRUSLSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@H]1C[C@H](C[NH3+])CN1C(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416971827 304357727 /nfs/dbraw/zinc/35/77/27/304357727.db2.gz FCLIKGHUXUWPCI-GOEBONIOSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@H]1C[NH2+]CC[C@H]1NC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000416973650 304358585 /nfs/dbraw/zinc/35/85/85/304358585.db2.gz JLSHJHVVDGXMQY-WMLDXEAASA-N 2 0 334.464 1.424 20 0 EDADRP O=C(C[NH2+][C@H](CCO)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000355006089 150073651 /nfs/dbraw/zinc/07/36/51/150073651.db2.gz IABXSEZBMMSSCW-GOSISDBHSA-N 2 0 337.508 1.650 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416984914 304361477 /nfs/dbraw/zinc/36/14/77/304361477.db2.gz YDVQNOOEINRJDK-MRXNPFEDSA-N 2 0 332.492 1.848 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000356224473 150559411 /nfs/dbraw/zinc/55/94/11/150559411.db2.gz PCYKPOBMSADFRE-UHFFFAOYSA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@H](c3ccc(F)cc3)C2)CC1 ZINC000573713256 306631162 /nfs/dbraw/zinc/63/11/62/306631162.db2.gz NHJGOLUKQQQLJK-QXAKKESOSA-N 2 0 335.467 1.660 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417044036 304365464 /nfs/dbraw/zinc/36/54/64/304365464.db2.gz MLDZLEHJZNOQIH-XHSDSOJGSA-N 2 0 326.485 1.114 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)N2CCO[C@H](C[NH3+])C2)C1 ZINC000417043448 304365636 /nfs/dbraw/zinc/36/56/36/304365636.db2.gz MLDZLEHJZNOQIH-BZUAXINKSA-N 2 0 326.485 1.114 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000417046770 304366345 /nfs/dbraw/zinc/36/63/45/304366345.db2.gz PRYKQZJVTVBIMI-UHFFFAOYSA-N 2 0 339.528 1.365 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000417066901 304368863 /nfs/dbraw/zinc/36/88/63/304368863.db2.gz MGSQFJJMFOXLFY-HDICACEKSA-N 2 0 330.476 1.889 20 0 EDADRP C[C@@H]1COCC[C@H]1CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357825460 151162772 /nfs/dbraw/zinc/16/27/72/151162772.db2.gz VZFJCGUAYSREQN-SJORKVTESA-N 2 0 342.528 1.574 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCC[C@@H](C)C1 ZINC000358092153 151267081 /nfs/dbraw/zinc/26/70/81/151267081.db2.gz GNNVNNJLCZMTGI-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H](NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1)C1=CC[N@H+](C)CC1 ZINC000358096089 151269089 /nfs/dbraw/zinc/26/90/89/151269089.db2.gz DXCYPMZNVLOJOX-CVEARBPZSA-N 2 0 336.480 1.001 20 0 EDADRP C[C@H](NC(=O)NC[C@]1([NH+](C)C)CCSC1)C1=CC[N@H+](C)CC1 ZINC000358107698 151273364 /nfs/dbraw/zinc/27/33/64/151273364.db2.gz ZKRJAGVHXJUYRO-XJKSGUPXSA-N 2 0 326.510 1.373 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417091389 304371705 /nfs/dbraw/zinc/37/17/05/304371705.db2.gz JSWYTQJSDSZFCW-KRWDZBQOSA-N 2 0 334.464 1.141 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NCCN1CCO[C@H](CC)C1 ZINC000360804998 152213107 /nfs/dbraw/zinc/21/31/07/152213107.db2.gz ZHLZUSAJNVPCKG-JKSUJKDBSA-N 2 0 328.501 1.517 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H](O)CCc1ccccc1)N1CC[NH+](C)CC1 ZINC000574150400 306643479 /nfs/dbraw/zinc/64/34/79/306643479.db2.gz BALDVDNPXRDNLQ-PMACEKPBSA-N 2 0 333.520 1.842 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCc2cccc(CN3CCOCC3)c2)C1 ZINC000417170102 304380291 /nfs/dbraw/zinc/38/02/91/304380291.db2.gz DZJUSNQBNHOFOT-MAUKXSAKSA-N 2 0 346.475 1.398 20 0 EDADRP C[NH+]1CCN(CCC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000363676069 153026791 /nfs/dbraw/zinc/02/67/91/153026791.db2.gz OZWVEMBXVOAUBY-INIZCTEOSA-N 2 0 334.439 1.826 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@H]3CCc4nccn4C3)cn2)CC1 ZINC000363692731 153031860 /nfs/dbraw/zinc/03/18/60/153031860.db2.gz JBGAXZXKQUUVFP-AWEZNQCLSA-N 2 0 340.431 1.231 20 0 EDADRP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948049 153105704 /nfs/dbraw/zinc/10/57/04/153105704.db2.gz PWCFGXAMPPCDNR-GDBMZVCRSA-N 2 0 330.432 1.038 20 0 EDADRP C[C@H](NC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000417193722 304383107 /nfs/dbraw/zinc/38/31/07/304383107.db2.gz LUQGWQZPGZWWGE-SZMVWBNQSA-N 2 0 332.492 1.847 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000417193686 304383117 /nfs/dbraw/zinc/38/31/17/304383117.db2.gz LRAJLOUWLULWGK-FGTMMUONSA-N 2 0 330.476 1.695 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000417194904 304383178 /nfs/dbraw/zinc/38/31/78/304383178.db2.gz NKEMMUVPICYDMP-INDMIFKZSA-N 2 0 344.503 1.928 20 0 EDADRP O[C@@H]1C[NH+](Cc2ccccc2C[N@H+]2C[C@@H](O)C3(CC3)C2)CC12CC2 ZINC000364441407 153238708 /nfs/dbraw/zinc/23/87/08/153238708.db2.gz DXZQISCSQYHKIH-QZTJIDSGSA-N 2 0 328.456 1.600 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000574261920 306646103 /nfs/dbraw/zinc/64/61/03/306646103.db2.gz NKBAHYUSKOTHDE-MRXNPFEDSA-N 2 0 332.448 1.404 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)cc1 ZINC000364848563 153351253 /nfs/dbraw/zinc/35/12/53/153351253.db2.gz BUZGCPYNMZBFEC-GOOCMWNKSA-N 2 0 345.443 1.380 20 0 EDADRP CCOC(=O)[C@@](C)(O)C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364879646 153358910 /nfs/dbraw/zinc/35/89/10/153358910.db2.gz SATMDFCSKFJQAW-SFHVURJKSA-N 2 0 335.448 1.544 20 0 EDADRP CC(C)[NH+]1CCN(CCCN2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000367097657 154007600 /nfs/dbraw/zinc/00/76/00/154007600.db2.gz BGYDBKUSDYKJED-SFHVURJKSA-N 2 0 340.581 1.526 20 0 EDADRP CCn1nccc1CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000367256806 154056835 /nfs/dbraw/zinc/05/68/35/154056835.db2.gz AZTHCQXWESKLDK-DFNIBXOVSA-N 2 0 331.508 1.688 20 0 EDADRP Cc1cnccc1NC(=O)N[C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367351941 154085854 /nfs/dbraw/zinc/08/58/54/154085854.db2.gz TUXKDDXRVUIDIQ-HLLBOEOZSA-N 2 0 332.448 1.823 20 0 EDADRP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000367661486 154219074 /nfs/dbraw/zinc/21/90/74/154219074.db2.gz RNALQZBSUZVEFW-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851287 154298884 /nfs/dbraw/zinc/29/88/84/154298884.db2.gz UXLLZRWJHIVQJS-SFHVURJKSA-N 2 0 330.432 1.142 20 0 EDADRP CCN1CCN(C(=O)NCCCn2ccnc2C)C[C@H]1c1ncc[nH]1 ZINC000369638811 155118519 /nfs/dbraw/zinc/11/85/19/155118519.db2.gz LDACOCBFGPZBQZ-HNNXBMFYSA-N 2 0 345.451 1.393 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CCC(N2CC[NH2+]CC2)CC1)C(C)C ZINC000417454880 304397359 /nfs/dbraw/zinc/39/73/59/304397359.db2.gz CZGAFRQWUFFXNS-UHFFFAOYSA-N 2 0 339.528 1.232 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372055812 156227712 /nfs/dbraw/zinc/22/77/12/156227712.db2.gz VKASFVGPXSFESC-AKHDSKFASA-N 3 0 341.540 1.822 20 0 EDADRP Cn1cc(-c2cc(CN3CCO[C@@H]4C[C@H]([NH+](C)C)CC[C@@H]43)on2)cn1 ZINC000372190710 156264983 /nfs/dbraw/zinc/26/49/83/156264983.db2.gz GXMXLYOVLHFSKW-FHLIZLRMSA-N 2 0 345.447 1.759 20 0 EDADRP O=S1(=O)CC[C@H]([NH2+]C2CCN(c3cc[nH+]c4ccccc43)CC2)C1 ZINC000373797082 157007694 /nfs/dbraw/zinc/00/76/94/157007694.db2.gz ZGHBZZWXXRYOHC-HNNXBMFYSA-N 2 0 345.468 1.980 20 0 EDADRP CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374285816 157225994 /nfs/dbraw/zinc/22/59/94/157225994.db2.gz DLOPGKUYCFXWFK-UONOGXRCSA-N 2 0 336.480 1.417 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)CC3([NH+]4CCOCC4)CCCC3)C[C@H]21 ZINC000374609715 157343881 /nfs/dbraw/zinc/34/38/81/157343881.db2.gz GSJUEIOOOXOVRE-BRWVUGGUSA-N 2 0 335.492 1.607 20 0 EDADRP CC(C)Cn1cc(CN2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@H]2C)cn1 ZINC000374716183 157375424 /nfs/dbraw/zinc/37/54/24/157375424.db2.gz KXKUUYXZPVHWME-MJGOQNOKSA-N 2 0 349.523 1.376 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC000377932588 158032313 /nfs/dbraw/zinc/03/23/13/158032313.db2.gz NFAVEYZGYJFART-WMLDXEAASA-N 2 0 329.460 1.426 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)CC1 ZINC000378141777 158090864 /nfs/dbraw/zinc/09/08/64/158090864.db2.gz QZZWCWRHXMMWHJ-MRXNPFEDSA-N 2 0 328.464 1.510 20 0 EDADRP CN1CC[NH+](C2(CNC(=O)[C@@H]([NH3+])C(C)(C)C)CCCCCC2)CC1 ZINC000378201869 158107355 /nfs/dbraw/zinc/10/73/55/158107355.db2.gz KULNHPVADDGRLO-MRXNPFEDSA-N 2 0 338.540 1.816 20 0 EDADRP C[C@H](CN1CCOCC1)[NH+]1CCC(C)(C[NH+]2CCOCC2)CC1 ZINC000378429573 158171022 /nfs/dbraw/zinc/17/10/22/158171022.db2.gz MJHCAHVWTSSCLA-QGZVFWFLSA-N 2 0 325.497 1.141 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000417905785 304429816 /nfs/dbraw/zinc/42/98/16/304429816.db2.gz DBFWTJMIOODYJB-OAGGEKHMSA-N 2 0 326.485 1.037 20 0 EDADRP C[C@]1(CNC(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CCC[NH2+]C1 ZINC000333859184 161665234 /nfs/dbraw/zinc/66/52/34/161665234.db2.gz RPCRWZHKRNFTJU-JZXOWHBKSA-N 2 0 338.496 1.304 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000352208907 162052139 /nfs/dbraw/zinc/05/21/39/162052139.db2.gz VXURNLJAQBHRCL-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000352327366 162119786 /nfs/dbraw/zinc/11/97/86/162119786.db2.gz YJJFBEUUADBCPP-QGZVFWFLSA-N 2 0 341.521 1.421 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420322745 287002786 /nfs/dbraw/zinc/00/27/86/287002786.db2.gz FGMIQALNZWHSOX-BRWVUGGUSA-N 2 0 337.508 1.853 20 0 EDADRP C[C@@H]([NH2+]CCC(=O)N1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422852281 287020895 /nfs/dbraw/zinc/02/08/95/287020895.db2.gz XVRBYQABFPLJDV-SJORKVTESA-N 2 0 330.476 1.313 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@H]2C[NH2+]CC[C@H]2C)CC1 ZINC000333453377 287157638 /nfs/dbraw/zinc/15/76/38/287157638.db2.gz XUNGLPPXMHTYFA-VKJFTORMSA-N 2 0 345.491 1.904 20 0 EDADRP C[C@@H]1CC2(C[N@@H+]1CC(=O)NC(=O)NC1CCCCC1)CC[NH2+]CC2 ZINC000333541295 287236819 /nfs/dbraw/zinc/23/68/19/287236819.db2.gz HYWPJNWTXNFXCL-CQSZACIVSA-N 2 0 336.480 1.609 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCCCC[NH+]2CCOCC2)C1 ZINC000073676536 287262894 /nfs/dbraw/zinc/26/28/94/287262894.db2.gz QSIQEVRMQSBGGA-KRWDZBQOSA-N 2 0 340.512 1.472 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000120397962 287360603 /nfs/dbraw/zinc/36/06/03/287360603.db2.gz XBHXEMASVKEACF-HOCLYGCPSA-N 2 0 326.485 1.079 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC[C@@H]2CCC[NH2+]C2)C1 ZINC000418338871 304482801 /nfs/dbraw/zinc/48/28/01/304482801.db2.gz DNAIGCOMUGRVAR-IRXDYDNUSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151839699 287602039 /nfs/dbraw/zinc/60/20/39/287602039.db2.gz OMNWXFKCAXNYLV-LBPRGKRZSA-N 2 0 345.285 1.328 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NCCC[NH+](C)C)cc1 ZINC000189409275 272964411 /nfs/dbraw/zinc/96/44/11/272964411.db2.gz FVULWDOQLXGUHW-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)C[NH2+]C3CC3)cc2)C[C@H](C)O1 ZINC000237630560 273011526 /nfs/dbraw/zinc/01/15/26/273011526.db2.gz RPJJAQQQKPIBCQ-GJZGRUSLSA-N 2 0 331.460 1.664 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000275286065 268314468 /nfs/dbraw/zinc/31/44/68/268314468.db2.gz OSKHTWFTJXSRHJ-MSOLQXFVSA-N 2 0 330.476 1.854 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@@H](O)C[NH2+]3)cc2)C1 ZINC000276711206 268464935 /nfs/dbraw/zinc/46/49/35/268464935.db2.gz YNWXJTVDSFKWEV-OHDICMOHSA-N 2 0 345.487 1.504 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccccc2CC[NH+](C)C)C[C@H]1C ZINC000275628978 273114893 /nfs/dbraw/zinc/11/48/93/273114893.db2.gz KLXWGWWKIFBVTB-HZPDHXFCSA-N 2 0 348.491 1.710 20 0 EDADRP O=C(/C=C/c1ccc[nH]1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000275705297 273120586 /nfs/dbraw/zinc/12/05/86/273120586.db2.gz KBRGXINAELCLBE-SNAWJCMRSA-N 2 0 339.443 1.751 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)C[C@@H](C[NH3+])OC)cc1 ZINC000278231324 273255112 /nfs/dbraw/zinc/25/51/12/273255112.db2.gz KKGCLRFYWWBOKX-KRWDZBQOSA-N 2 0 337.464 1.387 20 0 EDADRP C[C@@H]([NH2+]CCF)c1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1 ZINC000281225898 273450567 /nfs/dbraw/zinc/45/05/67/273450567.db2.gz ZUYMNZIEJJACRR-CYBMUJFWSA-N 2 0 331.457 1.537 20 0 EDADRP C[C@@H]1C[C@H](C)[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000282173334 273600164 /nfs/dbraw/zinc/60/01/64/273600164.db2.gz MJVKCRYQOPLXJW-JZXOWHBKSA-N 2 0 346.475 1.523 20 0 EDADRP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000191946704 275024857 /nfs/dbraw/zinc/02/48/57/275024857.db2.gz PBIGQAIYBBBRRI-IBGZPJMESA-N 2 0 343.471 1.984 20 0 EDADRP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000360703041 275592429 /nfs/dbraw/zinc/59/24/29/275592429.db2.gz LMSHUBOQOPOCNZ-MSOLQXFVSA-N 2 0 337.508 1.913 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948870 276011688 /nfs/dbraw/zinc/01/16/88/276011688.db2.gz IHIWUOAKBDBOIX-IRXDYDNUSA-N 2 0 325.497 1.770 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000348303532 276105490 /nfs/dbraw/zinc/10/54/90/276105490.db2.gz PPMWLIWTWKISSY-ROUUACIJSA-N 2 0 338.540 1.641 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](C[C@H](C)O)[C@H](C)C1 ZINC000359926720 276231836 /nfs/dbraw/zinc/23/18/36/276231836.db2.gz WBLHFIZVUJWIBE-XHSDSOJGSA-N 2 0 328.501 1.203 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)(N2CCOCC2)C1 ZINC000248887208 276309994 /nfs/dbraw/zinc/30/99/94/276309994.db2.gz MMKYNIWGNKBZOP-FDIDQYAWSA-N 2 0 339.524 1.575 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000376256636 276338868 /nfs/dbraw/zinc/33/88/68/276338868.db2.gz GHSDXYUGDCORLK-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1)C1CC1 ZINC000245394133 276345297 /nfs/dbraw/zinc/34/52/97/276345297.db2.gz XHIMZIAXUYEIHM-HNNXBMFYSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000248970114 276349477 /nfs/dbraw/zinc/34/94/77/276349477.db2.gz GMQDMLQGOBFAIQ-AEFFLSMTSA-N 2 0 348.491 1.263 20 0 EDADRP CC[C@@H]([NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCC[NH2+]1 ZINC000423066177 276435526 /nfs/dbraw/zinc/43/55/26/276435526.db2.gz WHFVYLQBWHXKJD-CABCVRRESA-N 2 0 336.480 1.751 20 0 EDADRP C[NH+](C)CC(C)(C)NC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000458559389 276756430 /nfs/dbraw/zinc/75/64/30/276756430.db2.gz VLMTXMXTLSSWOA-LSDHHAIUSA-N 2 0 326.485 1.004 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)[C@@H]3CC[NH+](C4CCCCC4)C3)[C@H]2C1 ZINC000345548621 277151313 /nfs/dbraw/zinc/15/13/13/277151313.db2.gz DWLOPMVSVBWNMY-NJAFHUGGSA-N 2 0 335.492 1.573 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000415495904 277276535 /nfs/dbraw/zinc/27/65/35/277276535.db2.gz NJCDQFRKSBTUFO-RDJZCZTQSA-N 2 0 344.459 1.384 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCOCC1 ZINC000119591496 277393717 /nfs/dbraw/zinc/39/37/17/277393717.db2.gz IQUNXFPYMCBQAU-MSOLQXFVSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248691794 278189367 /nfs/dbraw/zinc/18/93/67/278189367.db2.gz YAAJIOCSAXMJMK-VQHPVUNQSA-N 2 0 340.512 1.203 20 0 EDADRP CC1(C)C[NH+](CCOCC[N@@H+]2CC[C@H](O)C(C)(C)C2)CC[C@@H]1O ZINC000446067267 278333441 /nfs/dbraw/zinc/33/34/41/278333441.db2.gz OBZLAYHSASVSFK-HOTGVXAUSA-N 2 0 328.497 1.189 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(=O)NCc2nccn2C)C1 ZINC000286772201 288082889 /nfs/dbraw/zinc/08/28/89/288082889.db2.gz HUNUWXBIFAXAGS-AWEZNQCLSA-N 2 0 349.479 1.053 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cnn(CC(F)F)c1 ZINC000353499834 279329989 /nfs/dbraw/zinc/32/99/89/279329989.db2.gz DMPWGIZOZFJMBE-INIZCTEOSA-N 2 0 343.466 1.996 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](CCN3CCOC[C@@H]3C)CC2)CC1 ZINC000377103341 279509633 /nfs/dbraw/zinc/50/96/33/279509633.db2.gz GQMYYNNITYSSNZ-SFHVURJKSA-N 2 0 338.540 1.198 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCCCCC2)CC[NH2+]CC1 ZINC000422812287 279528677 /nfs/dbraw/zinc/52/86/77/279528677.db2.gz WDWGHGDXLNQSHD-MRXNPFEDSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CCCN1C(=O)NC2(CCCCC2)C1=O ZINC000422828954 279734873 /nfs/dbraw/zinc/73/48/73/279734873.db2.gz OZWIXKPHBXBSSV-LSDHHAIUSA-N 2 0 336.480 1.609 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000417006167 279843488 /nfs/dbraw/zinc/84/34/88/279843488.db2.gz JPGXJNMNLKEVJK-RCCFBDPRSA-N 2 0 336.524 1.994 20 0 EDADRP CC[C@@H](C)[C@H]([NH3+])C(=O)NCC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000353575797 280123867 /nfs/dbraw/zinc/12/38/67/280123867.db2.gz DIXNBSKJVKERCR-ZBFHGGJFSA-N 2 0 325.497 1.900 20 0 EDADRP CC(C)[C@H](C(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000373547434 280137399 /nfs/dbraw/zinc/13/73/99/280137399.db2.gz UTJINXJCFHIFFN-UYAOXDASSA-N 2 0 347.503 1.668 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347862207 280172759 /nfs/dbraw/zinc/17/27/59/280172759.db2.gz MRHITGMDCIXEBP-UAGQMJEPSA-N 2 0 335.496 1.505 20 0 EDADRP O=C1O[C@@]2(CN1C[N@@H+]1CC[C@H](C3CCOCC3)C1)C[NH+]1CCC2CC1 ZINC000497157677 280311714 /nfs/dbraw/zinc/31/17/14/280311714.db2.gz CZUJYLFTPUHBJR-QFBILLFUSA-N 2 0 349.475 1.609 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342567969 288307393 /nfs/dbraw/zinc/30/73/93/288307393.db2.gz LTXHSZMQFDTFBN-HYVNUMGLSA-N 2 0 337.533 1.899 20 0 EDADRP Cc1ccccc1[C@@H]([C@H](C)NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[NH+](C)C ZINC000418160163 281362064 /nfs/dbraw/zinc/36/20/64/281362064.db2.gz BAYFIIFKGGGYDY-LISAXSMJSA-N 2 0 330.476 1.847 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000289854341 288791603 /nfs/dbraw/zinc/79/16/03/288791603.db2.gz KWCPREIBDLVYBL-SFHVURJKSA-N 2 0 333.476 1.500 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)CC1 ZINC000422273035 289065260 /nfs/dbraw/zinc/06/52/60/289065260.db2.gz ZUPLQZXHIRRXIQ-PCKAHOCUSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000333705973 289186260 /nfs/dbraw/zinc/18/62/60/289186260.db2.gz SCDRALRJSQLCFN-GJZGRUSLSA-N 2 0 334.468 1.393 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO)c1ccccc1 ZINC000292908396 289470089 /nfs/dbraw/zinc/47/00/89/289470089.db2.gz AWWQXVIPRKBZFH-IEBWSBKVSA-N 2 0 347.503 1.792 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423321551 289571568 /nfs/dbraw/zinc/57/15/68/289571568.db2.gz GKMYIHWAPAIXQG-HUUCEWRRSA-N 2 0 333.480 1.491 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCCOCCO)CC1 ZINC000181225670 290058015 /nfs/dbraw/zinc/05/80/15/290058015.db2.gz AKMJZQSMBBTNAR-UHFFFAOYSA-N 2 0 341.883 1.580 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H]1CCC[C@H]1C[NH3+])CC2 ZINC000422773563 295040232 /nfs/dbraw/zinc/04/02/32/295040232.db2.gz YRHSLHFFJVSDMN-DOTOQJQBSA-N 2 0 333.476 1.779 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418617750 304519796 /nfs/dbraw/zinc/51/97/96/304519796.db2.gz IKSQUNZSGGNOQQ-WMLDXEAASA-N 2 0 340.512 1.238 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459128 297399727 /nfs/dbraw/zinc/39/97/27/297399727.db2.gz PCGAAAZOJCIREY-BZUAXINKSA-N 2 0 341.496 1.990 20 0 EDADRP COC[C@@]1(CNC(=O)N[C@H](CCC[NH3+])c2ccccc2)CCC[NH2+]1 ZINC000418636552 304523040 /nfs/dbraw/zinc/52/30/40/304523040.db2.gz MGPYZWAVXIEECM-AEFFLSMTSA-N 2 0 334.464 1.534 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccccc1 ZINC000418862790 304541091 /nfs/dbraw/zinc/54/10/91/304541091.db2.gz OPFTVYVEOOQJOG-GOEBONIOSA-N 2 0 334.464 1.039 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423321549 298576370 /nfs/dbraw/zinc/57/63/70/298576370.db2.gz GKMYIHWAPAIXQG-CABCVRRESA-N 2 0 333.480 1.491 20 0 EDADRP C[C@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000496509932 298673902 /nfs/dbraw/zinc/67/39/02/298673902.db2.gz AMHRQWMVYGVKIO-CQSZACIVSA-N 2 0 341.500 1.745 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC2)C[C@H](C)O1 ZINC000166429725 300252391 /nfs/dbraw/zinc/25/23/91/300252391.db2.gz NCHAYNRLTPYWFD-OFQRWUPVSA-N 2 0 325.497 1.708 20 0 EDADRP C[C@@H]([NH3+])C1CC[NH+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000420291753 304743437 /nfs/dbraw/zinc/74/34/37/304743437.db2.gz KRMLGZQEHUNAIY-QAPCUYQASA-N 3 0 332.492 1.465 20 0 EDADRP COc1ccc([C@H](C[NH3+])CN2CC[NH+](CCOC(C)C)CC2)cc1 ZINC000420308155 304747528 /nfs/dbraw/zinc/74/75/28/304747528.db2.gz COLOPKFCQRLVOT-GOSISDBHSA-N 2 0 335.492 1.780 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420377921 304753480 /nfs/dbraw/zinc/75/34/80/304753480.db2.gz SWANOPKVPMCSJR-KBPBESRZSA-N 2 0 325.478 1.587 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)Cn3ccc(C)n3)CC2)CC1 ZINC000422026378 447314888 /nfs/dbraw/zinc/31/48/88/447314888.db2.gz UVNRENQNWYEHHW-UHFFFAOYSA-N 2 0 333.480 1.210 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)N[C@@H](C[NH3+])C1CC1)c1ccccc1 ZINC000419654763 447323524 /nfs/dbraw/zinc/32/35/24/447323524.db2.gz SETDHIRARAHLKP-CJNGLKHVSA-N 2 0 346.475 1.086 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)N1CC[NH2+]C[C@@H]1C)c1ccccc1 ZINC000419656520 447325127 /nfs/dbraw/zinc/32/51/27/447325127.db2.gz UWMUAEIVBJUJMT-GJZGRUSLSA-N 2 0 346.475 1.052 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])c3ccccc3C)C2)CC1 ZINC000295280271 303198811 /nfs/dbraw/zinc/19/88/11/303198811.db2.gz WIQHJCSAXITVQJ-AEFFLSMTSA-N 2 0 330.476 1.233 20 0 EDADRP C[C@H]([NH2+]CCN1CCC(O)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000296059115 303292867 /nfs/dbraw/zinc/29/28/67/303292867.db2.gz VRIJESWADPIJKC-INIZCTEOSA-N 2 0 335.492 1.734 20 0 EDADRP CCOC(=O)c1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)[nH]c1C ZINC000296079565 303294371 /nfs/dbraw/zinc/29/43/71/303294371.db2.gz QJCRHVBCDIWOOW-UHFFFAOYSA-N 2 0 338.496 1.815 20 0 EDADRP Cc1cc(NC(=O)NCCN2CCC([NH+](C)C)CC2)cn2ccnc12 ZINC000296837291 303340614 /nfs/dbraw/zinc/34/06/14/303340614.db2.gz JPDXQAFGIYNUIL-UHFFFAOYSA-N 2 0 344.463 1.790 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCCc1cccnc1 ZINC000298654087 303542354 /nfs/dbraw/zinc/54/23/54/303542354.db2.gz KWOULDNEKKBLRT-UHFFFAOYSA-N 2 0 335.496 1.539 20 0 EDADRP C[C@H](C[NH3+])C[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414871622 447336370 /nfs/dbraw/zinc/33/63/70/447336370.db2.gz DPRQLSDSHGDHEN-CQSZACIVSA-N 2 0 341.883 1.735 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCN4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000414869579 447336617 /nfs/dbraw/zinc/33/66/17/447336617.db2.gz RKLRXDJABRADJZ-ZCNNSNEGSA-N 3 0 328.504 1.392 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400506863 303859217 /nfs/dbraw/zinc/85/92/17/303859217.db2.gz KFVPCERAJBGILP-LSDHHAIUSA-N 2 0 341.496 1.678 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414884103 447343501 /nfs/dbraw/zinc/34/35/01/447343501.db2.gz UPBUUVKIRCHZOE-KRWDZBQOSA-N 2 0 344.459 1.261 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000422966347 304881643 /nfs/dbraw/zinc/88/16/43/304881643.db2.gz RBPMGMKYMUFFRN-GOEBONIOSA-N 2 0 331.526 1.544 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCOc2ncccc2F)CC[NH2+]CC1 ZINC000422999581 304882803 /nfs/dbraw/zinc/88/28/03/304882803.db2.gz SSPAXVLXPBNVPE-CYBMUJFWSA-N 2 0 339.411 1.511 20 0 EDADRP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCN(S(=O)(=O)c2ccccc2)C1 ZINC000423119036 304887681 /nfs/dbraw/zinc/88/76/81/304887681.db2.gz CVHYBRUMHQWFEN-GJZGRUSLSA-N 2 0 325.478 1.557 20 0 EDADRP C[C@H]([NH2+][C@H]1CCCc2cc(S(N)(=O)=O)ccc21)[C@@H]1CCC[NH2+]C1 ZINC000423208730 304889448 /nfs/dbraw/zinc/88/94/48/304889448.db2.gz DNJQJMKVWNXGJO-QEORTHHSSA-N 2 0 337.489 1.689 20 0 EDADRP Cn1cc(C(=O)NCCC[NH+]2CCCCCC2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000423310039 304892104 /nfs/dbraw/zinc/89/21/04/304892104.db2.gz REUTVWYRLFTKOD-MRXNPFEDSA-N 2 0 347.507 1.883 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000423755076 304908672 /nfs/dbraw/zinc/90/86/72/304908672.db2.gz DBYQCHMJUQQIQR-INIZCTEOSA-N 2 0 339.480 1.811 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCCNc2cccc(F)c2)CC1 ZINC000423881101 304913012 /nfs/dbraw/zinc/91/30/12/304913012.db2.gz QVNGZUQKBLZFQY-UHFFFAOYSA-N 2 0 336.455 1.947 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)C2CC[NH+](C3CC3)CC2)C[C@@H](C)O1 ZINC000426650995 304982675 /nfs/dbraw/zinc/98/26/75/304982675.db2.gz IUQDBBNGHCYJKL-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC2CC[NH+](C3CC3)CC2)CCSC1 ZINC000428930551 305020248 /nfs/dbraw/zinc/02/02/48/305020248.db2.gz MVNPZDGEGGLILF-KRWDZBQOSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@H]1C[C@H]1[N@@H+]1CCN(C[C@H](O)C[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H](C)C1 ZINC000429003532 305022229 /nfs/dbraw/zinc/02/22/29/305022229.db2.gz IQLBGUJCMKTFKB-UWVPOSKDSA-N 2 0 339.524 1.119 20 0 EDADRP O=C([C@H]1CCC[N@@H+](CCOc2ccccc2F)C1)N1CC[NH2+]CC1 ZINC000430627455 305059984 /nfs/dbraw/zinc/05/99/84/305059984.db2.gz NHLNOWFRNHPQOA-HNNXBMFYSA-N 2 0 335.423 1.348 20 0 EDADRP COCC[C@]1(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CC[NH2+]C1 ZINC000430767815 305064445 /nfs/dbraw/zinc/06/44/45/305064445.db2.gz WZJFFINQKUPHDZ-GOEBONIOSA-N 2 0 325.478 1.483 20 0 EDADRP Cc1cccc(N2CCN(C(=O)C[NH+]3CCC([C@@H](C)[NH3+])CC3)CC2)c1 ZINC000430953665 305070473 /nfs/dbraw/zinc/07/04/73/305070473.db2.gz UODNNUMPYCBHKX-QGZVFWFLSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000430966067 305071380 /nfs/dbraw/zinc/07/13/80/305071380.db2.gz MEOWGBBYHAJPRG-KBPBESRZSA-N 2 0 332.448 1.460 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@@H]2CCOc3ccccc32)CC1 ZINC000433141314 305101561 /nfs/dbraw/zinc/10/15/61/305101561.db2.gz NXDTYSQLOOWLEE-HNNXBMFYSA-N 2 0 331.460 1.872 20 0 EDADRP CO[C@H](CNC(=O)CCC[NH+]1CCC([NH3+])CC1)c1ccc(F)cc1 ZINC000433157766 305101979 /nfs/dbraw/zinc/10/19/79/305101979.db2.gz HEYYYENCGHRJQW-QGZVFWFLSA-N 2 0 337.439 1.833 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000433159799 305102191 /nfs/dbraw/zinc/10/21/91/305102191.db2.gz FVBCBEVVPBAYIV-GOSISDBHSA-N 2 0 333.476 1.490 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000433279022 305104651 /nfs/dbraw/zinc/10/46/51/305104651.db2.gz NQYXNIINDNUJAP-INIZCTEOSA-N 2 0 340.512 1.659 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CCSC1 ZINC000433919114 305114699 /nfs/dbraw/zinc/11/46/99/305114699.db2.gz KLPNICSRJXOVMC-NVXWUHKLSA-N 2 0 340.537 1.740 20 0 EDADRP CCC[C@@]1(COC)CCC[N@@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000447390806 305279758 /nfs/dbraw/zinc/27/97/58/305279758.db2.gz HLZFGMQVKCXFMP-SFHVURJKSA-N 2 0 325.497 1.868 20 0 EDADRP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1c(Br)c(C)nn1C ZINC000447895790 305288115 /nfs/dbraw/zinc/28/81/15/305288115.db2.gz ZXDNZLRIZVTASM-GFCCVEGCSA-N 2 0 347.301 1.937 20 0 EDADRP C[C@H]1CN(C(=O)[C@H]2CCC[NH+]2C2CCOCC2)CC[N@@H+](C2CC2)C1 ZINC000452170796 305385759 /nfs/dbraw/zinc/38/57/59/305385759.db2.gz JCUDOFJGIBOAFN-CRAIPNDOSA-N 2 0 335.492 1.573 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414909787 447353192 /nfs/dbraw/zinc/35/31/92/447353192.db2.gz CKRLNQOORZAVHO-QGZVFWFLSA-N 2 0 344.459 1.214 20 0 EDADRP COc1ccc(OC)c(/C=C/C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000492804360 305603236 /nfs/dbraw/zinc/60/32/36/305603236.db2.gz HNGWGEUAAASJLR-JXMROGBWSA-N 2 0 349.475 1.669 20 0 EDADRP CC[NH+]1CCC(C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000497073342 305680804 /nfs/dbraw/zinc/68/08/04/305680804.db2.gz QJQQFBZHVMHCMX-QGZVFWFLSA-N 2 0 329.485 1.584 20 0 EDADRP CS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000515093865 305715045 /nfs/dbraw/zinc/71/50/45/305715045.db2.gz UNMXAUFTVDBZQG-DOTOQJQBSA-N 2 0 343.537 1.558 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)[C@@H]([NH3+])Cc2c[nH]c3ccccc23)CC1 ZINC000521890910 305794622 /nfs/dbraw/zinc/79/46/22/305794622.db2.gz GUBCFNQRQQUZAA-KRWDZBQOSA-N 2 0 344.459 1.265 20 0 EDADRP C[C@H](NC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000529333630 305909867 /nfs/dbraw/zinc/90/98/67/305909867.db2.gz RHQKIAPFWONBQK-UAGQMJEPSA-N 2 0 338.496 1.175 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000545310431 306083967 /nfs/dbraw/zinc/08/39/67/306083967.db2.gz LQYVDJBEJAJEPL-MRXNPFEDSA-N 2 0 332.496 1.061 20 0 EDADRP CC[C@H]1CCCC[C@H]1OCC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000545954809 306088301 /nfs/dbraw/zinc/08/83/01/306088301.db2.gz SLNWTXPLSIWHCP-DLBZAZTESA-N 2 0 327.513 1.924 20 0 EDADRP C[N@@H+]1CC[C@](O)(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000547297987 306098118 /nfs/dbraw/zinc/09/81/18/306098118.db2.gz MQBGDPJHYXQXKM-IBGZPJMESA-N 2 0 346.475 1.148 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc2c(c1)NC(=O)C2(C)C ZINC000550722020 306153894 /nfs/dbraw/zinc/15/38/94/306153894.db2.gz XYOIDFTUTZLTKC-UHFFFAOYSA-N 2 0 346.475 1.482 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000555596782 306203716 /nfs/dbraw/zinc/20/37/16/306203716.db2.gz DNSRBTDGYUHKDZ-FQEVSTJZSA-N 2 0 343.471 1.793 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)C(=O)N(C)CCC[NH+](C)C)([NH+](C)C)C1 ZINC000556662225 306212682 /nfs/dbraw/zinc/21/26/82/306212682.db2.gz GIITXVGEJMGJLN-QAPCUYQASA-N 2 0 340.512 1.023 20 0 EDADRP CNS(=O)(=O)C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000556936653 306221328 /nfs/dbraw/zinc/22/13/28/306221328.db2.gz PMSBNIKNQFJTPL-UHFFFAOYSA-N 2 0 340.474 1.447 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NCC2CC[NH2+]CC2)C1 ZINC000557211267 306226570 /nfs/dbraw/zinc/22/65/70/306226570.db2.gz OKAHNYDWVOEIIX-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414945714 447368062 /nfs/dbraw/zinc/36/80/62/447368062.db2.gz RYVCAJLPOAXSNG-DZGCQCFKSA-N 2 0 335.448 1.298 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414949512 447371243 /nfs/dbraw/zinc/37/12/43/447371243.db2.gz ZTLZLQUHEDMHDO-DVOMOZLQSA-N 2 0 332.448 1.490 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)N[C@H]1CCC[NH+](CCCO)C1 ZINC000665356779 453664167 /nfs/dbraw/zinc/66/41/67/453664167.db2.gz XTPUOLZNVAOILJ-GJZGRUSLSA-N 2 0 326.485 1.005 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC000378025095 447397039 /nfs/dbraw/zinc/39/70/39/447397039.db2.gz LGYDTBWHPWMCHN-KRWDZBQOSA-N 2 0 334.508 1.242 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)C(=O)NC[C@H](C)C[NH+]2CCCC2)cc1 ZINC000419812116 447427929 /nfs/dbraw/zinc/42/79/29/447427929.db2.gz GLPUYBXHRLCSMZ-LSDHHAIUSA-N 2 0 346.475 1.171 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426390197 447433042 /nfs/dbraw/zinc/43/30/42/447433042.db2.gz IFDMCTCORLGCCM-MSOLQXFVSA-N 2 0 334.508 1.242 20 0 EDADRP COc1ccc(Br)cc1C[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148968 441141582 /nfs/dbraw/zinc/14/15/82/441141582.db2.gz COSQGHXMUDITAQ-UHFFFAOYSA-N 2 0 342.281 1.795 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]Cc2ccc(CO)o2)CC1 ZINC000080373727 441165457 /nfs/dbraw/zinc/16/54/57/441165457.db2.gz XYLFHESVXCGOTQ-UHFFFAOYSA-N 2 0 337.464 1.488 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000072811423 441261922 /nfs/dbraw/zinc/26/19/22/441261922.db2.gz DFZGYCPUYISZKZ-INIZCTEOSA-N 2 0 334.464 1.170 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000063737437 441348258 /nfs/dbraw/zinc/34/82/58/441348258.db2.gz XGCBWKZQSMZPJM-QGZVFWFLSA-N 2 0 346.519 1.894 20 0 EDADRP C[NH+](C)CC1(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)CCCC1 ZINC000458655262 447439852 /nfs/dbraw/zinc/43/98/52/447439852.db2.gz LLXROGIDIRZWGE-INIZCTEOSA-N 2 0 340.512 1.254 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000073427128 441316117 /nfs/dbraw/zinc/31/61/17/441316117.db2.gz VLJJSLZJNHFNPM-GOSISDBHSA-N 2 0 333.476 1.931 20 0 EDADRP O=C(NC1CC[NH+](C2CC2)CC1)N1CC[NH+](C2CCOCC2)CC1 ZINC000083173452 441353225 /nfs/dbraw/zinc/35/32/25/441353225.db2.gz JUXWAYKTIQIJOR-UHFFFAOYSA-N 2 0 336.480 1.119 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cccc(C(=O)N(C)C)c3)C2)CC1 ZINC000107368140 441412090 /nfs/dbraw/zinc/41/20/90/441412090.db2.gz FRTPZXWNSPYLQM-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCn1cccc1 ZINC000084457152 441402371 /nfs/dbraw/zinc/40/23/71/441402371.db2.gz ZDUMXRHCKXSBBS-QGZVFWFLSA-N 2 0 335.496 1.546 20 0 EDADRP CO[C@]1(C)C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)C1(C)C ZINC000074943052 441481507 /nfs/dbraw/zinc/48/15/07/441481507.db2.gz CGHDVNYNOAJCGI-RHSMWYFYSA-N 2 0 328.501 1.325 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000108572297 441466616 /nfs/dbraw/zinc/46/66/16/441466616.db2.gz WNUVFIXOHPJTKS-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[N@H+](CC(=O)NCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCSC1 ZINC000089393249 441545716 /nfs/dbraw/zinc/54/57/16/441545716.db2.gz MBDPKXYWAOERGK-QGZVFWFLSA-N 2 0 348.516 1.852 20 0 EDADRP Cc1cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)ccc1F ZINC000112362268 441547926 /nfs/dbraw/zinc/54/79/26/441547926.db2.gz MRRLPJSUEATCRK-UHFFFAOYSA-N 2 0 331.457 1.248 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000114074647 441633853 /nfs/dbraw/zinc/63/38/53/441633853.db2.gz XYTWMARXCQBPLA-KSSFIOAISA-N 2 0 348.466 1.849 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000068190785 441750781 /nfs/dbraw/zinc/75/07/81/441750781.db2.gz XUVHKSCETPNZPP-GOSISDBHSA-N 2 0 332.492 1.433 20 0 EDADRP C[NH+]1CCC(NC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173380358 441729962 /nfs/dbraw/zinc/72/99/62/441729962.db2.gz UDVCBHSTBVRPNX-UHFFFAOYSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)NCC2(O)CC[NH+](C)CC2)([NH+](C)C)C1 ZINC000077785662 441861042 /nfs/dbraw/zinc/86/10/42/441861042.db2.gz NFZKHHFYXCRCKV-NVXWUHKLSA-N 2 0 340.512 1.253 20 0 EDADRP CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1ccc2c(c1)CCO2 ZINC000122946162 441869951 /nfs/dbraw/zinc/86/99/51/441869951.db2.gz FDEYYVBZWLZLBT-UHFFFAOYSA-N 2 0 331.460 1.720 20 0 EDADRP C[N@H+](CCCNC(=O)NCC1(O)CC[NH+](C)CC1)Cc1ccccc1 ZINC000077756416 441848309 /nfs/dbraw/zinc/84/83/09/441848309.db2.gz CDCGREOQSSFAGR-UHFFFAOYSA-N 2 0 348.491 1.264 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(c2cc(N3CCC[C@H]([NH+](C)C)C3)ncn2)C1 ZINC000123559481 441891385 /nfs/dbraw/zinc/89/13/85/441891385.db2.gz PVRIYOKZCIJXJQ-IYBDPMFKSA-N 2 0 332.496 1.537 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](CC(N)=O)C2)CC1 ZINC000093809092 441895926 /nfs/dbraw/zinc/89/59/26/441895926.db2.gz WELRWFGZHLWXEN-QGZVFWFLSA-N 2 0 344.503 1.916 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCC[C@@H]1CO)C1CC1 ZINC000125194445 441995149 /nfs/dbraw/zinc/99/51/49/441995149.db2.gz NMOWKDHIMAEBMC-LJQANCHMSA-N 2 0 345.487 1.744 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000150993474 441988314 /nfs/dbraw/zinc/98/83/14/441988314.db2.gz QXZZTCHMBWGGNT-OAHLLOKOSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(-n2cnnn2)cc1 ZINC000151000828 441989509 /nfs/dbraw/zinc/98/95/09/441989509.db2.gz LALGFTDTAJQDLV-HNNXBMFYSA-N 2 0 343.479 1.339 20 0 EDADRP CC(=O)NC1CCC([NH2+]C[C@@H]2C[C@@H](O)CN2Cc2ccccc2)CC1 ZINC000161733847 442028272 /nfs/dbraw/zinc/02/82/72/442028272.db2.gz ZRCBUBBCJCCUJG-GHBBCFCZSA-N 2 0 345.487 1.659 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccn2)CC1)N1CCSCC1 ZINC000151508062 442075003 /nfs/dbraw/zinc/07/50/03/442075003.db2.gz WDFSQYDPNJCQND-HNNXBMFYSA-N 2 0 348.516 1.600 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3CC[NH+](C)CC3)cc2)CC1 ZINC000175863178 442136346 /nfs/dbraw/zinc/13/63/46/442136346.db2.gz QBLSNMSXYSMYMN-UHFFFAOYSA-N 2 0 344.503 1.900 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176046480 442166906 /nfs/dbraw/zinc/16/69/06/442166906.db2.gz WADWKSCEHCGRPO-HNNXBMFYSA-N 2 0 348.491 1.842 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000176097976 442175486 /nfs/dbraw/zinc/17/54/86/442175486.db2.gz RDZRQPAKCRCCIW-IAGOWNOFSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCCNS(C)(=O)=O)CC2)C1 ZINC000121205325 442191245 /nfs/dbraw/zinc/19/12/45/442191245.db2.gz PIVWETUNDPEODI-ZBFHGGJFSA-N 2 0 331.526 1.558 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000176272754 442203906 /nfs/dbraw/zinc/20/39/06/442203906.db2.gz OXXYPUFILBDQLK-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1CCCC[C@H]1OCCNC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000152495348 442219706 /nfs/dbraw/zinc/21/97/06/442219706.db2.gz YNDMFGVXEWVFKR-RCCFBDPRSA-N 2 0 339.524 1.972 20 0 EDADRP COc1ccccc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168915107 442225585 /nfs/dbraw/zinc/22/55/85/442225585.db2.gz DMVBBGGJPXBZCH-QGZVFWFLSA-N 2 0 335.492 1.736 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000171198262 442325929 /nfs/dbraw/zinc/32/59/29/442325929.db2.gz MKKGCWOOGALUMW-GOSISDBHSA-N 2 0 348.491 1.528 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](NC(C)=O)C2)CC1 ZINC000153909256 442310673 /nfs/dbraw/zinc/31/06/73/442310673.db2.gz MJQXPWIRZFQJES-IBGZPJMESA-N 2 0 344.503 1.929 20 0 EDADRP C[C@H]1C[C@H](NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[N@@H+]1C1CC1 ZINC000177221093 442315431 /nfs/dbraw/zinc/31/54/31/442315431.db2.gz NGZGEEOETQHASF-HOTGVXAUSA-N 2 0 335.492 1.763 20 0 EDADRP C[C@H](NC(=O)C[C@@H]1CSCC[NH2+]1)C1([NH+]2CCOCC2)CCCC1 ZINC000133919764 442440037 /nfs/dbraw/zinc/44/00/37/442440037.db2.gz HAZBOISSNVFYNI-LSDHHAIUSA-N 2 0 341.521 1.231 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000186102334 442463795 /nfs/dbraw/zinc/46/37/95/442463795.db2.gz XLCVRVKQOKTSMQ-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP COC(=O)[C@@H](C)N(Cc1cnc(N2CCN(C)CC2)nc1)C1CCC1 ZINC000191646244 442482837 /nfs/dbraw/zinc/48/28/37/442482837.db2.gz LBHQTFLEVQSUIA-CQSZACIVSA-N 2 0 347.463 1.144 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1C[NH2+]CCO1 ZINC000178879156 442512001 /nfs/dbraw/zinc/51/20/01/442512001.db2.gz CVDSZFVELKSBSI-GOSISDBHSA-N 2 0 344.459 1.146 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NCC3=CC[NH2+]CC3)CC2)c1 ZINC000186332253 442513935 /nfs/dbraw/zinc/51/39/35/442513935.db2.gz QJYZIDHMXLEKPB-UHFFFAOYSA-N 2 0 342.487 1.543 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@H]1CCC[NH2+]1 ZINC000178890663 442516780 /nfs/dbraw/zinc/51/67/80/442516780.db2.gz BLSGYLORRBWWTM-IAGOWNOFSA-N 2 0 330.476 1.455 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000186707793 442596981 /nfs/dbraw/zinc/59/69/81/442596981.db2.gz KUQVOYHBXXOPPX-CRAIPNDOSA-N 2 0 325.497 1.900 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N[C@@H]3C[NH2+]CC[C@H]3C)cc2)CC1 ZINC000186711384 442598360 /nfs/dbraw/zinc/59/83/60/442598360.db2.gz XTWNBXPCTHFXJO-VQIMIIECSA-N 2 0 344.503 1.945 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000186583325 442566637 /nfs/dbraw/zinc/56/66/37/442566637.db2.gz GEGDDDKRRWLARJ-IAGOWNOFSA-N 2 0 342.491 1.944 20 0 EDADRP COC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)C1CCOCC1 ZINC000187746463 442690150 /nfs/dbraw/zinc/69/01/50/442690150.db2.gz PDWYPRVSPUNITL-QZTJIDSGSA-N 2 0 327.513 1.290 20 0 EDADRP Cc1cc(N2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)n[nH]1 ZINC000192840689 442691500 /nfs/dbraw/zinc/69/15/00/442691500.db2.gz BVBSKJGGCAHCFV-UHFFFAOYSA-N 2 0 334.512 1.256 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1)Cc1ccccc1 ZINC000187907861 442697176 /nfs/dbraw/zinc/69/71/76/442697176.db2.gz RUQOJNLPKXPOAC-FGTMMUONSA-N 2 0 333.476 1.433 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187974766 442701273 /nfs/dbraw/zinc/70/12/73/442701273.db2.gz WLBHIEAKCALRCK-CEXWTWQISA-N 2 0 345.487 1.734 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000187974798 442701301 /nfs/dbraw/zinc/70/13/01/442701301.db2.gz WLBHIEAKCALRCK-GBESFXJTSA-N 2 0 345.487 1.734 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1(C)C ZINC000188225769 442726538 /nfs/dbraw/zinc/72/65/38/442726538.db2.gz AUFZCSSZAJXTTR-FRQCXROJSA-N 2 0 337.508 1.996 20 0 EDADRP COC[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182236833 442748425 /nfs/dbraw/zinc/74/84/25/442748425.db2.gz PSNWMEWBJPJALM-KRWDZBQOSA-N 2 0 327.419 1.879 20 0 EDADRP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000182270339 442751948 /nfs/dbraw/zinc/75/19/48/442751948.db2.gz BPBHNYWFHBEXDM-APWZRJJASA-N 2 0 347.503 1.990 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000182299658 442754703 /nfs/dbraw/zinc/75/47/03/442754703.db2.gz MTNMFNBACJSNJV-GOSISDBHSA-N 2 0 348.491 1.394 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)[C@]2([NH3+])C[C@@H](OCC)C2(C)C)CC1 ZINC000188117001 442713558 /nfs/dbraw/zinc/71/35/58/442713558.db2.gz UQNWLVFRBAGIAR-CRAIPNDOSA-N 2 0 325.497 1.757 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000193840827 442796349 /nfs/dbraw/zinc/79/63/49/442796349.db2.gz QRWZYTXDOOJYMR-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCCC1CC[NH+](C)CC1 ZINC000188515357 442759152 /nfs/dbraw/zinc/75/91/52/442759152.db2.gz NKRIEQNYXHMFDI-HNNXBMFYSA-N 2 0 340.512 1.205 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)C[C@H]1CCC[C@@H]1O)C[C@@H]1CCC[C@@H]1O ZINC000246472866 442783900 /nfs/dbraw/zinc/78/39/00/442783900.db2.gz JLYZWCSZJBGSSY-MHORFTMASA-N 2 0 328.497 1.189 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCc2cn3cc(C)ccc3n2)C1 ZINC000265597890 442839701 /nfs/dbraw/zinc/83/97/01/442839701.db2.gz LLDGCXLKHXLRDI-CQSZACIVSA-N 2 0 331.420 1.163 20 0 EDADRP O[C@H](COC[C@H]1CCCO1)C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247396107 442852133 /nfs/dbraw/zinc/85/21/33/442852133.db2.gz QUCJVWCOMCZQNO-FGTMMUONSA-N 2 0 326.481 1.493 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000179158386 318454062 /nfs/dbraw/zinc/45/40/62/318454062.db2.gz RRCFTBLLOPUHAP-QZTJIDSGSA-N 2 0 339.524 1.850 20 0 EDADRP CC[C@@H](O)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000248687197 442918197 /nfs/dbraw/zinc/91/81/97/442918197.db2.gz AISGDSJHWSRWEP-FKSLSLAPSA-N 2 0 342.524 1.598 20 0 EDADRP CN(CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)CC[NH+](C)C ZINC000623088078 450398045 /nfs/dbraw/zinc/39/80/45/450398045.db2.gz VNHRWSOOINVRBF-UHFFFAOYSA-N 2 0 333.455 1.985 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000266170416 443044796 /nfs/dbraw/zinc/04/47/96/443044796.db2.gz SDFWSQQYXMAKFM-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP OC[C@@H]1CCCN(c2cc(N3CC[C@H]([NH+]4CC=CC4)C3)ncn2)C1 ZINC000266281200 443084607 /nfs/dbraw/zinc/08/46/07/443084607.db2.gz UFYMLJNWJCJLBS-CVEARBPZSA-N 2 0 329.448 1.136 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000184962855 443107804 /nfs/dbraw/zinc/10/78/04/443107804.db2.gz MMJBRDLWLHZFJL-ROUUACIJSA-N 2 0 332.492 1.432 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190463471 443113785 /nfs/dbraw/zinc/11/37/85/443113785.db2.gz PEPCUPATXCNTOU-JKSUJKDBSA-N 2 0 343.537 1.144 20 0 EDADRP COCCN1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000268867866 443131145 /nfs/dbraw/zinc/13/11/45/443131145.db2.gz FSWCOBKRRJHRKY-AEFFLSMTSA-N 2 0 335.492 1.998 20 0 EDADRP C[NH2+]CCCC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000237234897 443165451 /nfs/dbraw/zinc/16/54/51/443165451.db2.gz ZADSISNERBWREM-QGZVFWFLSA-N 2 0 346.475 1.791 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000237432386 443171711 /nfs/dbraw/zinc/17/17/11/443171711.db2.gz XJTSUSRGKBBWIO-CZUORRHYSA-N 2 0 334.439 1.507 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCCN1Cc1cnn(-c2ccccc2)c1 ZINC000261985287 443178248 /nfs/dbraw/zinc/17/82/48/443178248.db2.gz JQSSMSDIFRAIRO-SFHVURJKSA-N 2 0 341.459 1.692 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262395852 443192801 /nfs/dbraw/zinc/19/28/01/443192801.db2.gz YGMISXOGVGBNQR-MRXNPFEDSA-N 2 0 333.480 1.295 20 0 EDADRP C[NH+](C)CCNC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000190839651 443193151 /nfs/dbraw/zinc/19/31/51/443193151.db2.gz OHLFWQVPOOVSKI-QGZVFWFLSA-N 2 0 334.464 1.138 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000237162855 443162065 /nfs/dbraw/zinc/16/20/65/443162065.db2.gz KQLNRJKWNUSCEF-LJQANCHMSA-N 2 0 344.503 1.263 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185663445 443234816 /nfs/dbraw/zinc/23/48/16/443234816.db2.gz XZZLGYACILAFAI-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]C2CCN(S(=O)(=O)CC(C)C)CC2)[C@@H](C)C1 ZINC000245564441 443237279 /nfs/dbraw/zinc/23/72/79/443237279.db2.gz OFOYDAIQWGGDFB-RDJZCZTQSA-N 2 0 345.553 1.757 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1C[NH2+]CCO1)c1ccsc1 ZINC000269229469 443241652 /nfs/dbraw/zinc/24/16/52/443241652.db2.gz HMRGKFHPERTOBA-LSDHHAIUSA-N 2 0 325.478 1.626 20 0 EDADRP Cc1nn(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000382156841 319123553 /nfs/dbraw/zinc/12/35/53/319123553.db2.gz BOXQJODSEAWCPW-TXEJJXNPSA-N 2 0 327.270 1.922 20 0 EDADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000411376673 319181133 /nfs/dbraw/zinc/18/11/33/319181133.db2.gz BFBQPADRCTVQFG-IAGOWNOFSA-N 2 0 337.533 1.901 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](CCOC)[C@@H]2CCC[C@H]2C)CC1 ZINC000411628654 319191024 /nfs/dbraw/zinc/19/10/24/319191024.db2.gz WZEZBJOIEFXGOD-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1)C1CC1 ZINC000414321131 319324565 /nfs/dbraw/zinc/32/45/65/319324565.db2.gz DNOYMDGFNKYHMT-LJQANCHMSA-N 2 0 345.487 1.899 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCSC[C@H]2c2ccccc2)C1 ZINC000414671881 319339326 /nfs/dbraw/zinc/33/93/26/319339326.db2.gz GWUBIFZDIQJVIY-RDJZCZTQSA-N 2 0 333.501 1.974 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)Nc1ccc([C@@H](C)[NH3+])cc1)C(C)C ZINC000414681146 319341384 /nfs/dbraw/zinc/34/13/84/319341384.db2.gz ZNMJAWNJZAOJCW-CQSZACIVSA-N 2 0 334.464 1.880 20 0 EDADRP C[N@H+](CCOc1cccc(Cl)c1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414681046 319341422 /nfs/dbraw/zinc/34/14/22/319341422.db2.gz OCEOROJBGIAUSV-AWEZNQCLSA-N 2 0 339.867 1.848 20 0 EDADRP Cc1ccccc1N1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414682444 319341685 /nfs/dbraw/zinc/34/16/85/319341685.db2.gz RGDKKVHKLQCGOT-QGZVFWFLSA-N 2 0 330.476 1.314 20 0 EDADRP COc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693485 319343467 /nfs/dbraw/zinc/34/34/67/319343467.db2.gz RTHSJWAMENMQKB-AEFFLSMTSA-N 2 0 345.487 1.899 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CC[NH2+]C(C)(C)C3)ccc21 ZINC000415822792 319374229 /nfs/dbraw/zinc/37/42/29/319374229.db2.gz NJHXTRBWJULUGO-INIZCTEOSA-N 2 0 344.459 1.384 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C[NH3+])C2CCCC2)ccc1C[NH+](C)C ZINC000415824324 319374956 /nfs/dbraw/zinc/37/49/56/319374956.db2.gz UXKCMDUWKLQFFB-KRWDZBQOSA-N 2 0 346.475 1.629 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)N(C)CCN2CCOC(C)(C)C2)c1 ZINC000415953742 319384333 /nfs/dbraw/zinc/38/43/33/319384333.db2.gz GCBFACTUAYHKCS-UHFFFAOYSA-N 2 0 334.464 1.981 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cn1 ZINC000191330816 443279560 /nfs/dbraw/zinc/27/95/60/443279560.db2.gz BBVSJIAWSROXLU-GOSISDBHSA-N 2 0 331.508 1.750 20 0 EDADRP CC(C)[NH+]1CCN(CCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000191391195 443289039 /nfs/dbraw/zinc/28/90/39/443289039.db2.gz MXQFCIHIDPGZAK-UHFFFAOYSA-N 2 0 332.496 1.015 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)CC1 ZINC000185834152 443266734 /nfs/dbraw/zinc/26/67/34/443266734.db2.gz KNXBQEWPGUDJOA-HZPDHXFCSA-N 2 0 340.512 1.205 20 0 EDADRP COCC[NH2+]CCNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416809531 319462435 /nfs/dbraw/zinc/46/24/35/319462435.db2.gz JCWCMGDLZUKWNF-OAHLLOKOSA-N 2 0 338.452 1.342 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1)Cc1ccccc1 ZINC000416854710 319467696 /nfs/dbraw/zinc/46/76/96/319467696.db2.gz VEQWCGBENXQUJE-BZSNNMDCSA-N 2 0 332.492 1.976 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]Cc2cncc(Br)c2)CC1(C)C ZINC000282379858 443321960 /nfs/dbraw/zinc/32/19/60/443321960.db2.gz OIDSAKQIEBUOPX-UHFFFAOYSA-N 2 0 341.297 1.960 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417370166 319495109 /nfs/dbraw/zinc/49/51/09/319495109.db2.gz TVXJEXDHLDFXLJ-GOEBONIOSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418568177 319505893 /nfs/dbraw/zinc/50/58/93/319505893.db2.gz OOBVGSZLDQDWNV-ITDIGPHOSA-N 2 0 326.391 1.447 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[C@H]2CC[NH+](C)C[C@H]21)Cc1ccc(F)cc1 ZINC000272619905 443385019 /nfs/dbraw/zinc/38/50/19/443385019.db2.gz UJHYZTAFUOMSAL-SJLPKXTDSA-N 2 0 348.466 1.993 20 0 EDADRP CC[C@H](C(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1)[NH+](CC)CC ZINC000269559161 443348120 /nfs/dbraw/zinc/34/81/20/443348120.db2.gz QFBYFXPRIUUABV-RTBURBONSA-N 2 0 347.503 1.642 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@@H]2C[N@@H+](C)CCN2C)[NH+](C)C)cc1 ZINC000264732140 443396141 /nfs/dbraw/zinc/39/61/41/443396141.db2.gz NFXBZMWMTQFINI-QZTJIDSGSA-N 2 0 347.507 1.143 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000272650325 443396466 /nfs/dbraw/zinc/39/64/66/443396466.db2.gz FFZZGFPHRQZSBH-CZUORRHYSA-N 2 0 332.448 1.235 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)C1CC1 ZINC000269711732 443406759 /nfs/dbraw/zinc/40/67/59/443406759.db2.gz VBLPJABRDYIDLC-GOSISDBHSA-N 2 0 331.460 1.006 20 0 EDADRP C[C@H](CNC(=O)NCC[N@H+](C)C1CC1)[NH+]1CCc2ccccc2C1 ZINC000264919439 443476836 /nfs/dbraw/zinc/47/68/36/443476836.db2.gz YTQFKNDIAABHSU-OAHLLOKOSA-N 2 0 330.476 1.827 20 0 EDADRP C[N@H+](C[C@@H]1CNC(=O)O1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000269951597 443456007 /nfs/dbraw/zinc/45/60/07/443456007.db2.gz GOQMFQVNZPDMEW-ROUUACIJSA-N 2 0 347.459 1.472 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000422956010 319742185 /nfs/dbraw/zinc/74/21/85/319742185.db2.gz ODJZJNUOETXJCZ-MNOVXSKESA-N 2 0 328.254 1.894 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000423103437 319750641 /nfs/dbraw/zinc/75/06/41/319750641.db2.gz AKZHDTYYSVUJKG-HOTGVXAUSA-N 2 0 335.448 1.010 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC1 ZINC000423163309 319753848 /nfs/dbraw/zinc/75/38/48/319753848.db2.gz MOELEXBHUAOJEF-MRXNPFEDSA-N 2 0 340.512 1.151 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)[nH+]1 ZINC000271381845 443503287 /nfs/dbraw/zinc/50/32/87/443503287.db2.gz GCERDWQQKYUAPV-DZGCQCFKSA-N 2 0 339.447 1.698 20 0 EDADRP NS(=O)(=O)c1ccc2c(c1)CCC[C@H]2[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000423476700 319778370 /nfs/dbraw/zinc/77/83/70/319778370.db2.gz JIOCFFQBLNLIHB-WMLDXEAASA-N 2 0 337.489 1.833 20 0 EDADRP C[NH+]1CCC(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000273137065 443547586 /nfs/dbraw/zinc/54/75/86/443547586.db2.gz SSFBYKMTQQGDKK-SFHVURJKSA-N 2 0 331.460 1.211 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000273142044 443549745 /nfs/dbraw/zinc/54/97/45/443549745.db2.gz WXXJTEDJNPCQFW-ZIFCJYIRSA-N 2 0 345.487 1.734 20 0 EDADRP CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000267850192 443597996 /nfs/dbraw/zinc/59/79/96/443597996.db2.gz WLSQSWHBXYOXDJ-LPHOPBHVSA-N 2 0 345.487 1.876 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCCOc2ccc(F)cc2F)CC1 ZINC000433139443 319971461 /nfs/dbraw/zinc/97/14/61/319971461.db2.gz AZCDLOMVCJUOBB-UHFFFAOYSA-N 2 0 341.402 1.663 20 0 EDADRP COc1ccccc1OCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH3+] ZINC000436070045 320019119 /nfs/dbraw/zinc/01/91/19/320019119.db2.gz ZUUBWLXIDVSBRU-HNNXBMFYSA-N 2 0 335.448 1.394 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)C(=O)Nc1ccccc1CC[NH+](C)C ZINC000439355800 320046266 /nfs/dbraw/zinc/04/62/66/320046266.db2.gz JKGYTRWDYGDMIG-OAHLLOKOSA-N 2 0 346.475 1.282 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(Cl)cc2)CC1)[C@H]1CC[NH2+]1 ZINC000444268221 320123730 /nfs/dbraw/zinc/12/37/30/320123730.db2.gz IQZHVGBFBHMFBU-MRXNPFEDSA-N 2 0 337.851 1.661 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)[C@H]2C[C@]23CC[NH2+]C3)CC1 ZINC000444269468 320123763 /nfs/dbraw/zinc/12/37/63/320123763.db2.gz PXCZZAHJVDEBQJ-BEFAXECRSA-N 2 0 328.460 1.767 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)NCCCC[NH+]1CCOCC1 ZINC000447983709 320151998 /nfs/dbraw/zinc/15/19/98/320151998.db2.gz SXMGUIXDFNKSKD-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC(C)(C)CCC[NH+](C)C)C[C@@H](C)O1 ZINC000457590813 320329669 /nfs/dbraw/zinc/32/96/69/320329669.db2.gz ZAFHPAXIUGYFRB-HZPDHXFCSA-N 2 0 342.528 1.905 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H](C)[NH+](C)[C@@H](C)C1)CCC(F)(F)F ZINC000458715522 320339740 /nfs/dbraw/zinc/33/97/40/320339740.db2.gz QXLVPVDEFWBUPB-BETUJISGSA-N 2 0 338.418 1.995 20 0 EDADRP C[C@@H](NC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1)c1cc[nH]c(=O)c1 ZINC000458827457 320342443 /nfs/dbraw/zinc/34/24/43/320342443.db2.gz CDQGKSJLQLXJKF-CQSZACIVSA-N 2 0 349.479 1.516 20 0 EDADRP O=C(NCCCCC[NH+]1CCCC1)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000458841966 320342834 /nfs/dbraw/zinc/34/28/34/320342834.db2.gz GINIFIDONUWJOI-KRWDZBQOSA-N 2 0 340.512 1.399 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459378842 320347565 /nfs/dbraw/zinc/34/75/65/320347565.db2.gz RLQXPLAZXKIMDP-UHFFFAOYSA-N 2 0 347.507 1.656 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCCC[C@H]2C)[C@H](C)C1 ZINC000479284702 320354944 /nfs/dbraw/zinc/35/49/44/320354944.db2.gz SXQWAJCGMQKURZ-TWMKSMIVSA-N 2 0 340.512 1.346 20 0 EDADRP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)c1ccc(=O)[nH]n1 ZINC000286292986 443684185 /nfs/dbraw/zinc/68/41/85/443684185.db2.gz WIHQGYQGLPIFKO-QILLFSRXSA-N 2 0 342.443 1.304 20 0 EDADRP C[NH+](C)C/C=C/C(=O)Nc1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492986394 320392230 /nfs/dbraw/zinc/39/22/30/320392230.db2.gz QSHRBNYXXFKPGW-NAKBGQTNSA-N 2 0 330.432 1.799 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)[NH+]1CCCC1 ZINC000516879298 320442842 /nfs/dbraw/zinc/44/28/42/320442842.db2.gz WFKXWWMBEAAUMO-GOEBONIOSA-N 2 0 332.448 1.493 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000283857751 443744661 /nfs/dbraw/zinc/74/46/61/443744661.db2.gz GBZZGJVVPOCKLX-PBHICJAKSA-N 2 0 346.475 1.004 20 0 EDADRP Cc1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2n[nH]cc21 ZINC000527381615 320508498 /nfs/dbraw/zinc/50/84/98/320508498.db2.gz LZVNDMKBRONDRF-UHFFFAOYSA-N 2 0 332.452 1.828 20 0 EDADRP O[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000298394507 443760671 /nfs/dbraw/zinc/76/06/71/443760671.db2.gz HLYYZXXZQCHWBG-HXUWFJFHSA-N 2 0 331.504 1.740 20 0 EDADRP CC[NH+](CC)CCNC(=O)/C=C/C=C/C(=O)NCC[NH+](CC)CC ZINC000281162640 443835015 /nfs/dbraw/zinc/83/50/15/443835015.db2.gz LXBRKTZLKQIXCN-WGDLNXRISA-N 2 0 338.496 1.015 20 0 EDADRP C[C@H]1C[C@@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000292913909 443877639 /nfs/dbraw/zinc/87/76/39/443877639.db2.gz FOPHEHJXNPAOPA-QKYXUNIQSA-N 2 0 329.488 1.620 20 0 EDADRP Cn1cc([C@H]([NH2+]CC2(O)CC[NH+](C)CC2)c2cccc(F)c2)cn1 ZINC000537610220 320736984 /nfs/dbraw/zinc/73/69/84/320736984.db2.gz DIWQCWTZJKIPNW-QGZVFWFLSA-N 2 0 332.423 1.695 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000293013024 443902422 /nfs/dbraw/zinc/90/24/22/443902422.db2.gz HPXWJDZHKUEVQY-RBUKOAKNSA-N 2 0 335.467 1.441 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277164188 443924285 /nfs/dbraw/zinc/92/42/85/443924285.db2.gz KICGCUVDYSGJCY-ROUUACIJSA-N 2 0 336.476 1.989 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NC[C@H]1C[NH+](C)CCN1C ZINC000288970751 444024739 /nfs/dbraw/zinc/02/47/39/444024739.db2.gz XDZCYWYDVSVTSJ-AEFFLSMTSA-N 2 0 347.507 1.052 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)Nc2cccc3c2CC[NH2+]C3)C[C@H](C)O1 ZINC000557044425 320998578 /nfs/dbraw/zinc/99/85/78/320998578.db2.gz QKHLGHLFNMQJJQ-GJZGRUSLSA-N 2 0 346.475 1.953 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000561186272 321035491 /nfs/dbraw/zinc/03/54/91/321035491.db2.gz QGDUHFSKGAJYDM-NXHRZFHOSA-N 2 0 346.475 1.266 20 0 EDADRP C[NH+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000562293964 321050120 /nfs/dbraw/zinc/05/01/20/321050120.db2.gz PSIQMNKFYIXPBY-QZTJIDSGSA-N 2 0 330.476 1.846 20 0 EDADRP C[C@H]([NH2+]C[C@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC[NH2+]1 ZINC000562960184 321084002 /nfs/dbraw/zinc/08/40/02/321084002.db2.gz FKAHCIKVXVJQLQ-ZNMIVQPWSA-N 2 0 329.452 1.071 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1CCC1 ZINC000299580178 444085945 /nfs/dbraw/zinc/08/59/45/444085945.db2.gz RAZLNKGEYALCDJ-UHFFFAOYSA-N 2 0 331.464 1.693 20 0 EDADRP O=C(NC[C@@]1(O)C[NH+]2CCC1CC2)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000563395805 321108355 /nfs/dbraw/zinc/10/83/55/321108355.db2.gz CEOCXWQCIITPHH-DNVCBOLYSA-N 2 0 335.492 1.214 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000564431522 321131392 /nfs/dbraw/zinc/13/13/92/321131392.db2.gz IWURFIPARWCBEZ-IRXDYDNUSA-N 2 0 346.475 1.052 20 0 EDADRP CCOCC[C@H](O)C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000564853818 321151433 /nfs/dbraw/zinc/15/14/33/321151433.db2.gz GXCGSCZSTKMNNL-KRWDZBQOSA-N 2 0 327.513 1.314 20 0 EDADRP [NH3+]C1[C@@H]2CCC[C@H]1CC(C(=O)N1CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC1)C2 ZINC000564951611 321159636 /nfs/dbraw/zinc/15/96/36/321159636.db2.gz PHYHSHKACSPKTE-FCQZEMJXSA-N 2 0 349.519 1.885 20 0 EDADRP CCc1n[nH]cc1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299619303 444097231 /nfs/dbraw/zinc/09/72/31/444097231.db2.gz ZGUFUFRAXPNQID-UHFFFAOYSA-N 2 0 342.447 1.309 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)CCCC[NH3+])CC2)c1 ZINC000566166037 321220400 /nfs/dbraw/zinc/22/04/00/321220400.db2.gz JEBDXTXTRFTWGB-UHFFFAOYSA-N 2 0 332.492 1.752 20 0 EDADRP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C)[NH3+] ZINC000566165905 321220555 /nfs/dbraw/zinc/22/05/55/321220555.db2.gz NEKJRSZTMUWBIB-PKOBYXMFSA-N 2 0 346.519 1.934 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000567476959 321243391 /nfs/dbraw/zinc/24/33/91/321243391.db2.gz SAWVJMYOKCARJB-SJORKVTESA-N 2 0 346.475 1.378 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000568411875 321291235 /nfs/dbraw/zinc/29/12/35/321291235.db2.gz FEDSYHXMQPPBDF-FQEVSTJZSA-N 2 0 343.471 1.008 20 0 EDADRP CC1(C)CN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000568491425 321293718 /nfs/dbraw/zinc/29/37/18/321293718.db2.gz QVNZVYSJGQGYKO-KRWDZBQOSA-N 2 0 346.475 1.281 20 0 EDADRP Cc1c(C[NH+](C)CCOCC[N@@H+](C)Cc2cnn(C)c2C)cnn1C ZINC000568954376 321312351 /nfs/dbraw/zinc/31/23/51/321312351.db2.gz MECRIRVEJQAVDT-UHFFFAOYSA-N 2 0 348.495 1.351 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000568996884 321313855 /nfs/dbraw/zinc/31/38/55/321313855.db2.gz FXFAAXHOLDSMIC-UHFFFAOYSA-N 3 0 333.480 1.098 20 0 EDADRP COc1cccc([C@@H]2C[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000570141256 321339006 /nfs/dbraw/zinc/33/90/06/321339006.db2.gz AYMFXVVMRCTNAA-ZWKOTPCHSA-N 2 0 348.491 1.686 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N3CCO[C@H](C[NH3+])C3)c2)CC1 ZINC000570543430 321346784 /nfs/dbraw/zinc/34/67/84/321346784.db2.gz HLPIQVKTNMLTIZ-QGZVFWFLSA-N 2 0 347.463 1.020 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708585 321354849 /nfs/dbraw/zinc/35/48/49/321354849.db2.gz BOGZAYCRLVZVGS-BZSNNMDCSA-N 2 0 339.524 1.611 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)C1 ZINC000570942592 321365524 /nfs/dbraw/zinc/36/55/24/321365524.db2.gz KYPOCAOYINSBEF-RBUKOAKNSA-N 2 0 344.503 1.944 20 0 EDADRP Cn1cc(CC(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000571441379 321387016 /nfs/dbraw/zinc/38/70/16/321387016.db2.gz IIGXOJMBHXHGOD-UHFFFAOYSA-N 2 0 341.459 1.072 20 0 EDADRP C[C@@H]1C[C@H](C)[C@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000282173335 444104888 /nfs/dbraw/zinc/10/48/88/444104888.db2.gz MJVKCRYQOPLXJW-LZLYRXPVSA-N 2 0 346.475 1.523 20 0 EDADRP [NH3+]CC[C@H](NC(=O)c1ccc(C[NH+]2CCSCC2)cc1)C(F)F ZINC000571919254 321406470 /nfs/dbraw/zinc/40/64/70/321406470.db2.gz TXGHTXSBIYWENU-AWEZNQCLSA-N 2 0 343.443 1.948 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000572014050 321410797 /nfs/dbraw/zinc/41/07/97/321410797.db2.gz MMFKRJJNGFSYIR-RHSMWYFYSA-N 2 0 331.464 1.595 20 0 EDADRP COc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cc2c1OCO2 ZINC000289470447 444152103 /nfs/dbraw/zinc/15/21/03/444152103.db2.gz PKNLTIQUAWWZFF-UHFFFAOYSA-N 2 0 335.448 1.493 20 0 EDADRP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000289475057 444154055 /nfs/dbraw/zinc/15/40/55/444154055.db2.gz RIQREYLWXLQHPT-HNNXBMFYSA-N 2 0 338.471 1.968 20 0 EDADRP C[C@@H](C(=O)c1c[nH]c2ncccc12)N(C)CCC[N@H+](C)CCN(C)C ZINC000289541499 444167950 /nfs/dbraw/zinc/16/79/50/444167950.db2.gz WTBCMBOLSLQYKL-HNNXBMFYSA-N 2 0 345.491 1.949 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCN1CCNC1=O ZINC000289882975 444215084 /nfs/dbraw/zinc/21/50/84/444215084.db2.gz MGCOCPPSEKOESX-HZPDHXFCSA-N 2 0 330.476 1.758 20 0 EDADRP CN(CCC[N@H+](C)Cc1cc(=O)n2ccsc2n1)CC[NH+](C)C ZINC000289595256 444178602 /nfs/dbraw/zinc/17/86/02/444178602.db2.gz ZXKONYLLYMRPRJ-UHFFFAOYSA-N 2 0 337.493 1.071 20 0 EDADRP C[C@@H](NC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C(=O)NCC[NH+]1CCCCC1 ZINC000575921430 321534773 /nfs/dbraw/zinc/53/47/73/321534773.db2.gz ZUILBUIMXHSCJH-OAGGEKHMSA-N 2 0 338.496 1.001 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@]3(C)CCC[NH2+]C3)CC2)c1 ZINC000576212291 321547065 /nfs/dbraw/zinc/54/70/65/321547065.db2.gz PBJLSEZDIUDPHG-GOSISDBHSA-N 2 0 347.463 1.312 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000576749113 321592815 /nfs/dbraw/zinc/59/28/15/321592815.db2.gz MYQAMTNVYJUILI-MAUKXSAKSA-N 2 0 334.460 1.950 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](O)C[NH+]1CCc2ccccc2C1 ZINC000305192553 444264143 /nfs/dbraw/zinc/26/41/43/444264143.db2.gz KHTKQTZCBAZKSD-RBUKOAKNSA-N 2 0 345.487 1.396 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000303984226 444238948 /nfs/dbraw/zinc/23/89/48/444238948.db2.gz HPGGTJUKOBKUDA-IRXDYDNUSA-N 2 0 340.512 1.110 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000577366245 321645730 /nfs/dbraw/zinc/64/57/30/321645730.db2.gz PSEIYSWVABAPFG-UYAOXDASSA-N 2 0 333.520 1.843 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)NCc3ccc4c[nH+]cn4c3)CC[C@H]21 ZINC000297654462 444314578 /nfs/dbraw/zinc/31/45/78/444314578.db2.gz VVNDINCTRIYARX-NVXWUHKLSA-N 2 0 327.432 1.960 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccncc1OCCC[NH+](C)C)C1CC1 ZINC000290739576 444317241 /nfs/dbraw/zinc/31/72/41/444317241.db2.gz XFPDDDXJHUKTSP-UHFFFAOYSA-N 2 0 334.464 1.513 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C)[NH+](C)C ZINC000323320937 444342596 /nfs/dbraw/zinc/34/25/96/444342596.db2.gz TXQCZFGEUSXCMU-BASYENTBSA-N 2 0 325.497 1.611 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000578532993 321791091 /nfs/dbraw/zinc/79/10/91/321791091.db2.gz OEVKRNZNYZEZMN-AJNGGQMLSA-N 2 0 340.512 1.101 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCCC[C@H]2C[NH3+])Cc2ccccc2C1 ZINC000579097897 321881990 /nfs/dbraw/zinc/88/19/90/321881990.db2.gz JVIWBSCGGSDFNV-KRWDZBQOSA-N 2 0 330.476 1.608 20 0 EDADRP CC(C)OCc1ccccc1C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000579210885 321899848 /nfs/dbraw/zinc/89/98/48/321899848.db2.gz MBNDYNWZNXEURP-LJQANCHMSA-N 2 0 335.492 1.310 20 0 EDADRP CSC1(CNC(=O)c2ccn(CC[NH+](C)C)n2)CC[NH+](C)CC1 ZINC000579373868 321928938 /nfs/dbraw/zinc/92/89/38/321928938.db2.gz BSSMBNVIUGTSRS-UHFFFAOYSA-N 2 0 339.509 1.002 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000328994567 444437672 /nfs/dbraw/zinc/43/76/72/444437672.db2.gz UDFROQSPWPZATL-TXPKVOOTSA-N 2 0 348.491 1.588 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@H](O)COc2ccccc2F)CC1 ZINC000579702483 321962909 /nfs/dbraw/zinc/96/29/09/321962909.db2.gz WCQFMADHWOMPQS-INIZCTEOSA-N 2 0 339.455 1.181 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000580444032 322052393 /nfs/dbraw/zinc/05/23/93/322052393.db2.gz MFCNGOMSSYSDJH-ZWKOTPCHSA-N 2 0 337.508 1.852 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCCO1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000581478579 322181931 /nfs/dbraw/zinc/18/19/31/322181931.db2.gz CMKFWOBLYXGJFH-GOSISDBHSA-N 2 0 346.475 1.282 20 0 EDADRP O=C1C[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CN1C1CC1 ZINC000581720310 322212687 /nfs/dbraw/zinc/21/26/87/322212687.db2.gz IZDZCPFQDXSEBJ-URKNILKWSA-N 2 0 327.428 1.595 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000333013025 444629592 /nfs/dbraw/zinc/62/95/92/444629592.db2.gz VFDDOWVKVFJVET-IRXDYDNUSA-N 2 0 338.496 1.100 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000332982864 444620488 /nfs/dbraw/zinc/62/04/88/444620488.db2.gz YHXQGFZCAYNGOK-GJZGRUSLSA-N 2 0 338.496 1.146 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000341027689 444640111 /nfs/dbraw/zinc/64/01/11/444640111.db2.gz YVKRZVKZAGHJPC-IRXDYDNUSA-N 2 0 342.528 1.715 20 0 EDADRP CC[C@@H](CNC1CC[NH+](CCCC(=O)OC)CC1)[NH+]1CCCC1 ZINC000342485066 444711154 /nfs/dbraw/zinc/71/11/54/444711154.db2.gz FVJNJAVDAZRLMZ-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP COC(=O)CCCN1CCC([NH2+]C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC000342491442 444714236 /nfs/dbraw/zinc/71/42/36/444714236.db2.gz PIECPKWBBJZFLB-MRXNPFEDSA-N 2 0 325.497 1.726 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333945125 444724953 /nfs/dbraw/zinc/72/49/53/444724953.db2.gz SMYCPYDUWREKCU-RDJZCZTQSA-N 2 0 344.459 1.206 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@H]([NH+](C)C)[C@@H](C)C3)n2)C[C@H]1[NH+](C)C ZINC000342512643 444725258 /nfs/dbraw/zinc/72/52/58/444725258.db2.gz PFCUYWZZHOGDEM-GEEKYZPCSA-N 2 0 332.496 1.249 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C[C@H]1[NH3+] ZINC000333945706 444725780 /nfs/dbraw/zinc/72/57/80/444725780.db2.gz TXBMQNUVYHNFIT-IJEWVQPXSA-N 2 0 336.505 1.949 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000333630989 444686645 /nfs/dbraw/zinc/68/66/45/444686645.db2.gz SQZLXZMPQPGEKU-BOMAWHNGSA-N 2 0 334.508 1.099 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCCN3CCOCC3)CC2)C[C@H](C)O1 ZINC000342452996 444697964 /nfs/dbraw/zinc/69/79/64/444697964.db2.gz XZIHATGAIREUKE-HDICACEKSA-N 2 0 339.524 1.530 20 0 EDADRP COC(=O)C(C)(C)CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000338547895 444743478 /nfs/dbraw/zinc/74/34/78/444743478.db2.gz POINNARPTWGGSR-UHFFFAOYSA-N 2 0 334.464 1.512 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000341257909 444751777 /nfs/dbraw/zinc/75/17/77/444751777.db2.gz KLSSCONRJZXNAL-WBVHZDCISA-N 2 0 330.476 1.883 20 0 EDADRP C[C@H](CNC(=O)N1CCO[C@@H](C[NH+](C)C)C1)[N@@H+]1CCCC[C@H]1C ZINC000342657417 444799927 /nfs/dbraw/zinc/79/99/27/444799927.db2.gz LPIAYUYOBAPBMP-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP CCC[N@H+](CCCN1CCOCC1)CCN1CC[NH+](CC)CC1 ZINC000344161441 444814706 /nfs/dbraw/zinc/81/47/06/444814706.db2.gz YFWPYTIXVDBXOG-UHFFFAOYSA-N 2 0 326.529 1.058 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1c[nH]c2cccnc12 ZINC000344193396 444832493 /nfs/dbraw/zinc/83/24/93/444832493.db2.gz BJQOQISRRHETQH-UHFFFAOYSA-N 2 0 331.464 1.909 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[N@@H+]1C ZINC000341444272 444835977 /nfs/dbraw/zinc/83/59/77/444835977.db2.gz ZBSCLZOOJZJOQS-HOCLYGCPSA-N 2 0 349.479 1.304 20 0 EDADRP Cc1cnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc1N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000338785639 444850867 /nfs/dbraw/zinc/85/08/67/444850867.db2.gz MQWUFZHZAOXQFR-LUKYLMHMSA-N 2 0 346.523 1.843 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000344235886 444854963 /nfs/dbraw/zinc/85/49/63/444854963.db2.gz MOYBKEGDBQVZGS-GJYPPUQNSA-N 2 0 345.487 1.600 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C1 ZINC000344237788 444855769 /nfs/dbraw/zinc/85/57/69/444855769.db2.gz OPPBATQKGIRHQL-ARFHVFGLSA-N 2 0 326.485 1.125 20 0 EDADRP COC(=O)CCC[NH+]1CCC(N[C@H]2C[N@@H+](C(C)C)C[C@@H]2C)CC1 ZINC000342772611 444860033 /nfs/dbraw/zinc/86/00/33/444860033.db2.gz AEKNZSYPFVKRCB-RDJZCZTQSA-N 2 0 325.497 1.722 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000342779687 444863073 /nfs/dbraw/zinc/86/30/73/444863073.db2.gz FFNOGSGRIBNAII-QGZVFWFLSA-N 2 0 325.497 1.679 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000342711527 444827957 /nfs/dbraw/zinc/82/79/57/444827957.db2.gz MBOLCRXMFQXRQR-QGZVFWFLSA-N 2 0 330.476 1.233 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccn(CC[NH+](C)C)n1 ZINC000344336521 444905101 /nfs/dbraw/zinc/90/51/01/444905101.db2.gz SPTKOBWFIIWLNK-UHFFFAOYSA-N 2 0 325.420 1.946 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000342886712 444918635 /nfs/dbraw/zinc/91/86/35/444918635.db2.gz XVIULSKBOVHNOW-DLBZAZTESA-N 2 0 337.508 1.583 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N[C@H]1CC[C@@H](F)C1 ZINC000344519593 445029589 /nfs/dbraw/zinc/02/95/89/445029589.db2.gz GBDFULDWKVGHAA-CVEARBPZSA-N 2 0 349.454 1.784 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)C1 ZINC000344473721 444998010 /nfs/dbraw/zinc/99/80/10/444998010.db2.gz GQOJBIMDTINQGX-SJORKVTESA-N 2 0 340.512 1.110 20 0 EDADRP CCOCCCN1CC[C@H]([NH2+]C[C@H]2CCCS(=O)(=O)C2)[C@@H](C)C1 ZINC000341910203 445067330 /nfs/dbraw/zinc/06/73/30/445067330.db2.gz KHOUIFDIHSQJRG-BBWFWOEESA-N 2 0 346.537 1.538 20 0 EDADRP C[C@H](Cn1ccnc1)NC(=O)NCC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000337524187 445119549 /nfs/dbraw/zinc/11/95/49/445119549.db2.gz ALACBHRMIDJISG-KFWWJZLASA-N 2 0 337.468 1.459 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000337655946 445189808 /nfs/dbraw/zinc/18/98/08/445189808.db2.gz NDVLNYOYCICHNE-NVXWUHKLSA-N 2 0 342.553 1.843 20 0 EDADRP CC(=O)[C@@](C)(O)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000330807022 445148856 /nfs/dbraw/zinc/14/88/56/445148856.db2.gz CMLJDNBQCPTTEK-DAYGRLMNSA-N 2 0 326.481 1.538 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)CC1 ZINC000339549151 445149494 /nfs/dbraw/zinc/14/94/94/445149494.db2.gz WHHGXRMJNOIISV-SQNIBIBYSA-N 2 0 334.508 1.987 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000345020869 445157007 /nfs/dbraw/zinc/15/70/07/445157007.db2.gz OICBGXQNDIPLRJ-GVDBMIGSSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[C@H](C[NH2+]C[C@@H]1CCO[C@H]1c1ccnn1C)N1CC[NH+](C)CC1 ZINC000343402945 445216515 /nfs/dbraw/zinc/21/65/15/445216515.db2.gz MRMMVWNDFNAPBD-YTQUADARSA-N 2 0 349.523 1.359 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[N@H+](C)C1 ZINC000345667434 445195608 /nfs/dbraw/zinc/19/56/08/445195608.db2.gz OUNRPKFJAMWUMF-KURKYZTESA-N 2 0 348.491 1.650 20 0 EDADRP CCOCC[C@H](O)C[N@H+](C)C[C@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000346914245 445227701 /nfs/dbraw/zinc/22/77/01/445227701.db2.gz FPAPHFJJTAAGBD-SOLBZPMBSA-N 2 0 338.496 1.522 20 0 EDADRP CCC[C@H](C(=O)N(C)C[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347879269 445252632 /nfs/dbraw/zinc/25/26/32/445252632.db2.gz UGQCJWUATDASQF-NXHRZFHOSA-N 2 0 349.523 1.992 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC2CCS(=O)(=O)CC2)C1 ZINC000348187666 445310629 /nfs/dbraw/zinc/31/06/29/445310629.db2.gz IMAPGPIHKXLSTP-INIZCTEOSA-N 2 0 332.510 1.244 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000348211333 445317379 /nfs/dbraw/zinc/31/73/79/445317379.db2.gz RZOUECYXLQVLEF-SJORKVTESA-N 2 0 338.496 1.080 20 0 EDADRP Cc1ccccc1C[NH+]1CCCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H](O)C2)CC1 ZINC000351820141 445332982 /nfs/dbraw/zinc/33/29/82/445332982.db2.gz COTUSXGPUHUADG-MJGOQNOKSA-N 2 0 345.487 1.342 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CCNC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000354678849 445337706 /nfs/dbraw/zinc/33/77/06/445337706.db2.gz WMRSNIDELPCFMW-DLBZAZTESA-N 2 0 346.475 1.184 20 0 EDADRP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCSC1)N1CCc2ccccc2C1 ZINC000359685063 445373930 /nfs/dbraw/zinc/37/39/30/445373930.db2.gz LEGXGNRFJIGHPU-HNAYVOBHSA-N 2 0 347.528 1.987 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000348557918 445325737 /nfs/dbraw/zinc/32/57/37/445325737.db2.gz RKSCWEWDWRRQIG-DNVCBOLYSA-N 2 0 341.459 1.871 20 0 EDADRP CSC1(CNC(=O)NCCC[NH+]2CCCC2)CC[NH+](C)CC1 ZINC000357061271 445401371 /nfs/dbraw/zinc/40/13/71/445401371.db2.gz ZJELTNZKYRACIZ-UHFFFAOYSA-N 2 0 328.526 1.599 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)N[C@H]1CCOc2ccccc21 ZINC000357081392 445413794 /nfs/dbraw/zinc/41/37/94/445413794.db2.gz GTRVBWHWSIWPBT-WMZOPIPTSA-N 2 0 343.471 1.948 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CCC(=O)NC(=O)NC)CC1)CC1CC1 ZINC000357091152 445421653 /nfs/dbraw/zinc/42/16/53/445421653.db2.gz WJWRGGPQSHVHPM-UHFFFAOYSA-N 2 0 338.496 1.666 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000362522295 445422982 /nfs/dbraw/zinc/42/29/82/445422982.db2.gz POQXXIGCLXEUTB-QGZVFWFLSA-N 2 0 345.491 1.390 20 0 EDADRP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1NC(=O)CCOC1C[NH2+]C1 ZINC000349002956 445472343 /nfs/dbraw/zinc/47/23/43/445472343.db2.gz PWFLXXIASRKMQW-HOTGVXAUSA-N 2 0 345.487 1.638 20 0 EDADRP O=C(c1cc([C@H]2CC[NH2+]C2)n[nH]1)N1CC[NH+](CC2CCCCC2)CC1 ZINC000362564231 445441604 /nfs/dbraw/zinc/44/16/04/445441604.db2.gz ISMZFVGPFAWZDO-INIZCTEOSA-N 2 0 345.491 1.825 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)NC[C@H]2CN3CCCC[C@H]3CO2)CC1 ZINC000362719700 445517032 /nfs/dbraw/zinc/51/70/32/445517032.db2.gz NLJHGUHXEJPFHL-IRXDYDNUSA-N 2 0 338.496 1.223 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H](C)C3C[NH2+]C3)CC2)c1 ZINC000357241202 445501185 /nfs/dbraw/zinc/50/11/85/445501185.db2.gz MVHIBPHOSJKQPS-QGZVFWFLSA-N 2 0 344.503 1.479 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352122138 445506082 /nfs/dbraw/zinc/50/60/82/445506082.db2.gz SXNNCBUTTLNILM-MJGOQNOKSA-N 2 0 333.476 1.470 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000360138172 445590535 /nfs/dbraw/zinc/59/05/35/445590535.db2.gz ZRNXKISWUYMMGD-INIZCTEOSA-N 2 0 340.512 1.469 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000362871270 445590478 /nfs/dbraw/zinc/59/04/78/445590478.db2.gz MCLYEBHCTZNRSE-RYQLBKOJSA-N 2 0 335.492 1.620 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC([NH+]2CCO[C@@H](C)C2)CC1 ZINC000360125545 445581747 /nfs/dbraw/zinc/58/17/47/445581747.db2.gz PLGFSESUXMTRTC-HOTGVXAUSA-N 2 0 340.512 1.610 20 0 EDADRP C[C@H]1[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CCC12CCOCC2 ZINC000349234943 445541804 /nfs/dbraw/zinc/54/18/04/445541804.db2.gz FHHGBEFRBQNPGE-OAHLLOKOSA-N 2 0 335.492 1.620 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NC[C@H]1[NH+](C)CCCC1(C)C ZINC000360164627 445605828 /nfs/dbraw/zinc/60/58/28/445605828.db2.gz SKWWNJMPIVYFHD-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000356085292 445611599 /nfs/dbraw/zinc/61/15/99/445611599.db2.gz FCGUDSXQNSDCAV-INIZCTEOSA-N 2 0 349.523 1.973 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H](O)CN2CCC([NH+]3CCCCC3)CC2)C[C@H](C)O1 ZINC000358514241 445626774 /nfs/dbraw/zinc/62/67/74/445626774.db2.gz MPRGAZOIOLNLCF-SCTDSRPQSA-N 2 0 339.524 1.407 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358527388 445634330 /nfs/dbraw/zinc/63/43/30/445634330.db2.gz MSOMFLGLJACMKB-ZIFCJYIRSA-N 2 0 341.540 1.510 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000353414785 445593864 /nfs/dbraw/zinc/59/38/64/445593864.db2.gz LGWKUWKLNGQZFY-DLBZAZTESA-N 2 0 325.497 1.460 20 0 EDADRP CC[C@H]([NH2+]C[C@H](C)N1CC[NH+](CC)CC1)C1(C(=O)OC)CCC1 ZINC000353546548 445650914 /nfs/dbraw/zinc/65/09/14/445650914.db2.gz PDIMKBJNZNBJGZ-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000353584357 445666848 /nfs/dbraw/zinc/66/68/48/445666848.db2.gz ZOOPQEHBYFRRDZ-SFHVURJKSA-N 2 0 348.495 1.013 20 0 EDADRP CC[NH+](CC)CCCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000360283294 445675816 /nfs/dbraw/zinc/67/58/16/445675816.db2.gz GRZWUTAOIWFYIS-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000356207620 445676158 /nfs/dbraw/zinc/67/61/58/445676158.db2.gz QYIOCPCCDVHVRK-OAHLLOKOSA-N 2 0 326.529 1.638 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)NCCNc2cc[nH+]cc2)C1 ZINC000356236217 445691195 /nfs/dbraw/zinc/69/11/95/445691195.db2.gz YXTVBFVZMHOMTG-IYBDPMFKSA-N 2 0 347.507 1.971 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000360330384 445696883 /nfs/dbraw/zinc/69/68/83/445696883.db2.gz UFQFUNURWZZZDP-MISYRCLQSA-N 2 0 347.503 1.180 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+]1CCCC1 ZINC000358658572 445698964 /nfs/dbraw/zinc/69/89/64/445698964.db2.gz FFNRSMAUYHCNRH-AEFFLSMTSA-N 2 0 340.512 1.253 20 0 EDADRP CC[C@H]1C[C@@H](C[NH2+]CC(=O)NCC[NH+]2CCCCCC2)CCO1 ZINC000353670276 445700362 /nfs/dbraw/zinc/70/03/62/445700362.db2.gz KVCLMQLXEMEPDK-IRXDYDNUSA-N 2 0 325.497 1.773 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CC(=O)NCC[NH+]2CCCCCC2)C12CCC2 ZINC000353670416 445700934 /nfs/dbraw/zinc/70/09/34/445700934.db2.gz HFNDJAGSRLWTNK-IRXDYDNUSA-N 2 0 337.508 1.916 20 0 EDADRP CC[NH+]1CCN([C@@H]2CCN(C(=O)NCC[N@H+]3CC=C(C)CC3)C2)CC1 ZINC000358669127 445704266 /nfs/dbraw/zinc/70/42/66/445704266.db2.gz QYHIJHUSVSGXGL-GOSISDBHSA-N 2 0 349.523 1.060 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363179037 445709798 /nfs/dbraw/zinc/70/97/98/445709798.db2.gz CZMIIAKDMQFWPM-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP CC(C)OCC[C@H](O)C[NH+]1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000349883936 445711447 /nfs/dbraw/zinc/71/14/47/445711447.db2.gz PRZOKOMEIMDGGV-LNLFQRSKSA-N 2 0 342.524 1.984 20 0 EDADRP CC(C)[N@H+](C)CC(=O)NCCN1CC[NH+](C)C[C@H]1c1ccccc1 ZINC000363189808 445714479 /nfs/dbraw/zinc/71/44/79/445714479.db2.gz KCWLXLLBDXGHPM-SFHVURJKSA-N 2 0 332.492 1.432 20 0 EDADRP CC(C)OCC[C@@H](O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000349900681 445716021 /nfs/dbraw/zinc/71/60/21/445716021.db2.gz ZTZIPPRZEXDONM-LJQANCHMSA-N 2 0 342.524 1.987 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)NCCC[NH+]2CCCC[C@H]2C)C1 ZINC000349929654 445723649 /nfs/dbraw/zinc/72/36/49/445723649.db2.gz CHTOEBFRIMSTEI-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000349932176 445724867 /nfs/dbraw/zinc/72/48/67/445724867.db2.gz DMMPEXIREHNLEE-KRWDZBQOSA-N 2 0 327.513 1.922 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N[C@@H]2CC[N@H+](CCOC)C2)CC1 ZINC000349934717 445726326 /nfs/dbraw/zinc/72/63/26/445726326.db2.gz OPILCRKHUJMIIG-MRXNPFEDSA-N 2 0 326.485 1.128 20 0 EDADRP CN(C(=O)[C@H](O)c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363348204 445774594 /nfs/dbraw/zinc/77/45/94/445774594.db2.gz CMKLHIZCDYNWAI-ZWKOTPCHSA-N 2 0 331.460 1.347 20 0 EDADRP Cc1nccn1CCCC[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000363459229 445813926 /nfs/dbraw/zinc/81/39/26/445813926.db2.gz IVDGVOGQZQDDCO-IBGZPJMESA-N 2 0 333.524 1.931 20 0 EDADRP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@H](C)CS(C)(=O)=O)C2)c1 ZINC000365986526 445942894 /nfs/dbraw/zinc/94/28/94/445942894.db2.gz YSBKXDLDHACLIL-GJZGRUSLSA-N 2 0 325.478 1.805 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000350987099 445967024 /nfs/dbraw/zinc/96/70/24/445967024.db2.gz KMLNFWDKYWMXNR-HZPDHXFCSA-N 2 0 340.512 1.071 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000351018024 445971162 /nfs/dbraw/zinc/97/11/62/445971162.db2.gz TUYJNXYRNGHQAV-BZUAXINKSA-N 2 0 340.512 1.164 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C2CC2)n(C)n1 ZINC000359194289 446020628 /nfs/dbraw/zinc/02/06/28/446020628.db2.gz AQXYKJQRCCHLNT-INIZCTEOSA-N 2 0 347.507 1.786 20 0 EDADRP C[C@H]1CN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC[N@@H+]1CC(C)(C)O ZINC000356807192 446039155 /nfs/dbraw/zinc/03/91/55/446039155.db2.gz VAXVAIQJAPZCSQ-HOTGVXAUSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000356778517 446011106 /nfs/dbraw/zinc/01/11/06/446011106.db2.gz QNGQZNPSBCGJAQ-JKSUJKDBSA-N 2 0 325.497 1.555 20 0 EDADRP Cc1cc(NC(=O)NCC[C@@H]2CCC[NH2+]C2)n(C2CC[NH+](C)CC2)n1 ZINC000583131429 326007856 /nfs/dbraw/zinc/00/78/56/326007856.db2.gz IKBMJZZVFZFQOH-HNNXBMFYSA-N 2 0 348.495 1.969 20 0 EDADRP O=C(CN1CC[NH+](CCC2CC[NH2+]CC2)CC1)NC1CCCCC1 ZINC000359221323 446051354 /nfs/dbraw/zinc/05/13/54/446051354.db2.gz OXSHGOIAUXVLOZ-UHFFFAOYSA-N 2 0 336.524 1.443 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451170 326076370 /nfs/dbraw/zinc/07/63/70/326076370.db2.gz MXZGHHKLZILGEL-ZNMIVQPWSA-N 2 0 329.452 1.200 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC(=O)N(C3CC3)C2)[C@H](C)C1 ZINC000583635702 326109231 /nfs/dbraw/zinc/10/92/31/326109231.db2.gz RGIHDVPKICPKOH-NUJGCVRESA-N 2 0 337.508 1.724 20 0 EDADRP [NH3+][C@@H]1CCO[C@H](C2CCN(C(=O)c3ccc4c[nH+]cn4c3)CC2)C1 ZINC000583870938 326156655 /nfs/dbraw/zinc/15/66/55/326156655.db2.gz ASXYPQYBKQTKBY-WBVHZDCISA-N 2 0 328.416 1.693 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)COc1ccccc1 ZINC000583930042 326166746 /nfs/dbraw/zinc/16/67/46/326166746.db2.gz NVKIWGKYPAMUKE-RLLQIKCJSA-N 2 0 348.487 1.784 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CCC([C@H]2C[C@@H]([NH3+])CCO2)CC1)c1ccccc1 ZINC000583936078 326169695 /nfs/dbraw/zinc/16/96/95/326169695.db2.gz QUFBEICVHBOPQP-YQVWRLOYSA-N 2 0 331.460 1.605 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C(N)=O)nc1)c1cccc(OCC[NH+](C)C)c1 ZINC000361926649 446075547 /nfs/dbraw/zinc/07/55/47/446075547.db2.gz QVJZSXBYNCUWFN-AWEZNQCLSA-N 2 0 342.443 1.972 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)CC1 ZINC000369329759 446076746 /nfs/dbraw/zinc/07/67/46/446076746.db2.gz NPAANBNJBMDYBE-ROUUACIJSA-N 2 0 336.524 1.534 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(Cc3nc(-c4ccc5c(c4)OCO5)no3)C[C@@H]12 ZINC000351480880 446081337 /nfs/dbraw/zinc/08/13/37/446081337.db2.gz WECQMYGPMJMTQB-YNEHKIRRSA-N 2 0 328.372 1.634 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC2CC([NH+]3CCCCC3)C2)C[C@@H]1C ZINC000369547206 446130897 /nfs/dbraw/zinc/13/08/97/446130897.db2.gz RQJIJJZDJHNDNV-JUVOFCAFSA-N 2 0 338.496 1.100 20 0 EDADRP Cn1cc([C@H]2[C@@H](CNC(=O)NC[C@H]3CCC[N@@H+]3C)CCC[NH+]2C)cn1 ZINC000365346575 446160125 /nfs/dbraw/zinc/16/01/25/446160125.db2.gz DCEMWOSOPLXXFP-DJIMGWMZSA-N 2 0 348.495 1.196 20 0 EDADRP O=C(NC1CC[NH+](CC2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365356637 446165747 /nfs/dbraw/zinc/16/57/47/446165747.db2.gz LRPKNWYUEPTCIC-WDSOQIARSA-N 2 0 346.519 1.987 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359353777 446168564 /nfs/dbraw/zinc/16/85/64/446168564.db2.gz SARVPEBIPBDNKT-MRXNPFEDSA-N 2 0 342.528 1.715 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC(OCC[NH+](C)C)CC1)C(C)C ZINC000359362831 446174615 /nfs/dbraw/zinc/17/46/15/446174615.db2.gz QTJCUUNQFLKNFG-UHFFFAOYSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000359312201 446143039 /nfs/dbraw/zinc/14/30/39/446143039.db2.gz KSVJXJTVMDAZCZ-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369665819 446144142 /nfs/dbraw/zinc/14/41/42/446144142.db2.gz SYJYVHZVSNTEHW-ZBFHGGJFSA-N 2 0 346.479 1.850 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369669193 446144838 /nfs/dbraw/zinc/14/48/38/446144838.db2.gz XVVGWXBBVVOJPT-XMTFNYHQSA-N 2 0 334.508 1.987 20 0 EDADRP CN(CC(F)F)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000351623095 446216074 /nfs/dbraw/zinc/21/60/74/446216074.db2.gz NWJBSBRSBPOSBW-UHFFFAOYSA-N 2 0 341.406 1.500 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[NH+](C)CC1 ZINC000365470180 446222651 /nfs/dbraw/zinc/22/26/51/446222651.db2.gz YXRSTWICXQYFMC-SJLPKXTDSA-N 2 0 336.524 1.536 20 0 EDADRP C[NH+]1CCN(C2(C[NH2+]C3CCN(C=O)CC3)CCCCCC2)CC1 ZINC000365490202 446230102 /nfs/dbraw/zinc/23/01/02/446230102.db2.gz HJWCWZOZWIXSHC-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2C[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000359457254 446233831 /nfs/dbraw/zinc/23/38/31/446233831.db2.gz IURMRKRUOGAQDR-OALUTQOASA-N 2 0 328.504 1.870 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)NCC2=CC[N@H+](C)CC2)CC1 ZINC000370349172 446241008 /nfs/dbraw/zinc/24/10/08/446241008.db2.gz CUSCOTXFHKAHDL-UHFFFAOYSA-N 2 0 328.460 1.985 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[NH+]1CCCCC1 ZINC000359488842 446254228 /nfs/dbraw/zinc/25/42/28/446254228.db2.gz ZMOIGGCGWBHGIJ-QZTJIDSGSA-N 2 0 337.508 1.678 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(-n2cccn2)c1 ZINC000370396876 446260737 /nfs/dbraw/zinc/26/07/37/446260737.db2.gz LOBQXLPHHPZSBW-UHFFFAOYSA-N 2 0 327.476 1.942 20 0 EDADRP C[C@@H]1CN(Cc2c[nH]c3nccnc23)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000365661346 446291688 /nfs/dbraw/zinc/29/16/88/446291688.db2.gz QNYHVOCWJCQGPD-GDBMZVCRSA-N 2 0 328.464 1.367 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCC(=O)N2CCOc3ccccc3C2)CC[N@@H+]1C ZINC000370541628 446323992 /nfs/dbraw/zinc/32/39/92/446323992.db2.gz HZNVHCHHIQYHMI-RDJZCZTQSA-N 2 0 331.460 1.870 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000417511331 446358749 /nfs/dbraw/zinc/35/87/49/446358749.db2.gz YSMNGLXESQSGEV-QZTJIDSGSA-N 2 0 330.476 1.554 20 0 EDADRP C[NH+]1CCC2(CCC[N@@H+]([C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000366890213 446399383 /nfs/dbraw/zinc/39/93/83/446399383.db2.gz YKEXJFATBVZQOX-CYBMUJFWSA-N 2 0 333.398 1.957 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000417516836 446360840 /nfs/dbraw/zinc/36/08/40/446360840.db2.gz OVOSNLJKCULPKO-DLBZAZTESA-N 2 0 334.464 1.357 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)[C@H](C[NH3+])C1 ZINC000417533468 446362621 /nfs/dbraw/zinc/36/26/21/446362621.db2.gz MSHOIHHKXZDOQH-LVQVYYBASA-N 2 0 326.485 1.397 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)CC1 ZINC000417547195 446363882 /nfs/dbraw/zinc/36/38/82/446363882.db2.gz NSRHXQJKMBCQCV-KGLIPLIRSA-N 2 0 326.485 1.268 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417575591 446365492 /nfs/dbraw/zinc/36/54/92/446365492.db2.gz GHOXPKLNMPWQKZ-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1CN(C(=O)[C@](C)([NH3+])c2ccc(Br)cc2)C[C@H]1[NH3+] ZINC000417840178 446375449 /nfs/dbraw/zinc/37/54/49/446375449.db2.gz RUZDMCFXEJRAJY-GAJTVXKRSA-N 2 0 326.238 1.429 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC(=O)N1CCCCC1 ZINC000370671443 446380432 /nfs/dbraw/zinc/38/04/32/446380432.db2.gz RQKMLYHSRJGMSC-SQNIBIBYSA-N 2 0 337.508 1.868 20 0 EDADRP COCCC[N@H+](C)CCN[C@@H]1CC[NH+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370682224 446384398 /nfs/dbraw/zinc/38/43/98/446384398.db2.gz MXOIGBMRNRXOKK-OKZBNKHCSA-N 2 0 327.513 1.434 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000417929257 446389485 /nfs/dbraw/zinc/38/94/85/446389485.db2.gz ILFVHTUOSMLYRS-GOEBONIOSA-N 2 0 334.439 1.638 20 0 EDADRP Cc1ccc(C[NH2+]C2CCN(Cc3ccncc3)CC2)c(=O)n1C ZINC000365899039 446394023 /nfs/dbraw/zinc/39/40/23/446394023.db2.gz YCRPCBSBOHIYDK-UHFFFAOYSA-N 2 0 326.444 1.843 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CN[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423124182 446430520 /nfs/dbraw/zinc/43/05/20/446430520.db2.gz MFUXFTVSLIPJJA-MOPGFXCFSA-N 2 0 348.491 1.269 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423146487 446440577 /nfs/dbraw/zinc/44/05/77/446440577.db2.gz PNEPWCTXXLRSII-FUNVUKJBSA-N 2 0 326.238 1.483 20 0 EDADRP O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]CC[C@@H]2C1 ZINC000418100230 446440948 /nfs/dbraw/zinc/44/09/48/446440948.db2.gz DFMXTPDFVSYRNT-IPMKNSEASA-N 2 0 342.487 1.759 20 0 EDADRP C[C@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418184776 446451261 /nfs/dbraw/zinc/45/12/61/446451261.db2.gz ABHCSXNOYPIWFY-DZGCQCFKSA-N 2 0 335.452 1.043 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000417974961 446404765 /nfs/dbraw/zinc/40/47/65/446404765.db2.gz DXHSXHVEWFDJCW-NVXWUHKLSA-N 2 0 334.464 1.266 20 0 EDADRP CC1(C)CN(C(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)CC[NH2+]1 ZINC000418003008 446412094 /nfs/dbraw/zinc/41/20/94/446412094.db2.gz YLYFKCUPONNHPV-KRWDZBQOSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@@]1(CNC(=O)N(CC[NH3+])CCO)CCC[N@@H+]1Cc1ccccc1 ZINC000418047872 446424683 /nfs/dbraw/zinc/42/46/83/446424683.db2.gz UGOLRIDLMGCIQP-SFHVURJKSA-N 2 0 334.464 1.004 20 0 EDADRP Cc1ccc(C[N@H+]2CCCN(C(=O)CN3CC[NH2+]C[C@H]3C)CC2)cc1 ZINC000420290861 446454171 /nfs/dbraw/zinc/45/41/71/446454171.db2.gz JRJAELJBLNLXJK-GOSISDBHSA-N 2 0 344.503 1.323 20 0 EDADRP c1c(CN2CC[NH+](CC[C@H]3CCC[NH2+]C3)CC2)nc2ccccn12 ZINC000420293710 446457001 /nfs/dbraw/zinc/45/70/01/446457001.db2.gz ADRWSGOCWWNRII-QGZVFWFLSA-N 2 0 327.476 1.842 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000418227419 446465392 /nfs/dbraw/zinc/46/53/92/446465392.db2.gz QRFGSSYZXHGWKO-QGZVFWFLSA-N 2 0 334.464 1.270 20 0 EDADRP [NH3+]CCNC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000418226840 446465481 /nfs/dbraw/zinc/46/54/81/446465481.db2.gz PVBZVPQNBURTNE-KRWDZBQOSA-N 2 0 346.475 1.173 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000418229231 446467198 /nfs/dbraw/zinc/46/71/98/446467198.db2.gz CLXGYRBUTIBBTA-DJIMGWMZSA-N 2 0 340.512 1.643 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1)c1ccccc1 ZINC000420309159 446472058 /nfs/dbraw/zinc/47/20/58/446472058.db2.gz OJTODYCAOGZXNM-WNRNVDISSA-N 3 0 330.476 1.075 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCN(Cc3cc(C)no3)CC2)cc1 ZINC000420309461 446472124 /nfs/dbraw/zinc/47/21/24/446472124.db2.gz TYRGNBYZUSTKQX-KRWDZBQOSA-N 2 0 344.459 1.852 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000420309676 446472177 /nfs/dbraw/zinc/47/21/77/446472177.db2.gz FALDSEMPWLKSEI-MOPGFXCFSA-N 2 0 347.503 1.924 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423285323 446473400 /nfs/dbraw/zinc/47/34/00/446473400.db2.gz ZCZZIFKGIJWZLW-BJJXKVORSA-N 2 0 325.478 1.763 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)C[C@H](C)O1 ZINC000423298763 446478259 /nfs/dbraw/zinc/47/82/59/446478259.db2.gz AGENIPXWGGOXDM-HLLBOEOZSA-N 2 0 349.479 1.037 20 0 EDADRP COc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cc1 ZINC000420326430 446493108 /nfs/dbraw/zinc/49/31/08/446493108.db2.gz JXEXNKWGENAKCR-VHSSKADRSA-N 2 0 347.459 1.850 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420332456 446502655 /nfs/dbraw/zinc/50/26/55/446502655.db2.gz JTKBBYRXAHBHEK-IYBDPMFKSA-N 2 0 331.460 1.585 20 0 EDADRP Cc1cccc2nc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)cc(=O)n12 ZINC000420335599 446506296 /nfs/dbraw/zinc/50/62/96/446506296.db2.gz KOKPBESIKWRNEF-KRWDZBQOSA-N 2 0 326.444 1.967 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)n1 ZINC000420335644 446506497 /nfs/dbraw/zinc/50/64/97/446506497.db2.gz KRORUGKBZBGXFT-JKSUJKDBSA-N 2 0 331.464 1.380 20 0 EDADRP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000423377426 446509184 /nfs/dbraw/zinc/50/91/84/446509184.db2.gz LPPHJJUXFJWRSO-ZWKOTPCHSA-N 2 0 337.508 1.855 20 0 EDADRP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420338501 446510367 /nfs/dbraw/zinc/51/03/67/446510367.db2.gz ROUWOWFVICDUDO-MYZZLAAOSA-N 2 0 337.508 1.852 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1 ZINC000423391260 446514174 /nfs/dbraw/zinc/51/41/74/446514174.db2.gz NLGOZEINZISLGO-CABCVRRESA-N 2 0 333.480 1.443 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418317493 446497219 /nfs/dbraw/zinc/49/72/19/446497219.db2.gz MSNMJDFRGCBBKT-DOMZBBRYSA-N 2 0 326.391 1.319 20 0 EDADRP CCCCOC[C@H](O)C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000432731730 446497427 /nfs/dbraw/zinc/49/74/27/446497427.db2.gz ZOONIFGZRUKUNI-LJQANCHMSA-N 2 0 341.540 1.654 20 0 EDADRP COc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420331459 446500505 /nfs/dbraw/zinc/50/05/05/446500505.db2.gz QUUKLFIKORGBKF-MJGOQNOKSA-N 2 0 347.459 1.140 20 0 EDADRP C[C@@H](C(=O)NCC1CCCCC1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420331132 446501094 /nfs/dbraw/zinc/50/10/94/446501094.db2.gz QQKCAHXFJPEWCD-QGTPRVQTSA-N 2 0 337.508 1.900 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[NH2+]CCN2C)CC1 ZINC000423518407 446559800 /nfs/dbraw/zinc/55/98/00/446559800.db2.gz OOHWRGPOPSEDFB-PXNSSMCTSA-N 2 0 330.520 1.575 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CCO)C2CCCCC2)CC1 ZINC000411482932 446563885 /nfs/dbraw/zinc/56/38/85/446563885.db2.gz BEAPLNCMFFDLBT-KRWDZBQOSA-N 2 0 325.497 1.508 20 0 EDADRP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420344199 446517620 /nfs/dbraw/zinc/51/76/20/446517620.db2.gz SRVCJCJHUPTGJF-JONQDZQNSA-N 2 0 336.480 1.322 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000418369356 446517836 /nfs/dbraw/zinc/51/78/36/446517836.db2.gz UCPUJOQFJHNBDG-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418372179 446518489 /nfs/dbraw/zinc/51/84/89/446518489.db2.gz QPHBSJRUASAERK-HEHGZKQESA-N 2 0 338.402 1.462 20 0 EDADRP Cc1ccc([C@H](CNC(=O)c2cn(CCC[NH3+])nn2)[NH+]2CCCC2)o1 ZINC000423405328 446519287 /nfs/dbraw/zinc/51/92/87/446519287.db2.gz TUDDOINWZTWJCE-HNNXBMFYSA-N 2 0 346.435 1.095 20 0 EDADRP CCN(C(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000420350945 446529510 /nfs/dbraw/zinc/52/95/10/446529510.db2.gz VHPYJVNBCDEQKL-WMZOPIPTSA-N 2 0 330.476 1.408 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433153595 446538819 /nfs/dbraw/zinc/53/88/19/446538819.db2.gz WRLHIGCQZRSRMN-GOSISDBHSA-N 3 0 338.540 1.961 20 0 EDADRP CN(Cc1nccn1C(F)F)C(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433171853 446543554 /nfs/dbraw/zinc/54/35/54/446543554.db2.gz BOCAFWUUSSMKCW-UHFFFAOYSA-N 2 0 329.395 1.440 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@@H](C)[NH3+] ZINC000423452991 446544463 /nfs/dbraw/zinc/54/44/63/446544463.db2.gz ZVMCQJWZHYJPPD-NVXWUHKLSA-N 2 0 325.497 1.709 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000418448885 446547257 /nfs/dbraw/zinc/54/72/57/446547257.db2.gz RGQQHJJKVUGFCS-ZWKOTPCHSA-N 2 0 348.491 1.222 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)CC[N@@H+]1CCOC ZINC000418600447 446610329 /nfs/dbraw/zinc/61/03/29/446610329.db2.gz KVMUCZYBYRSTDX-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418612574 446616454 /nfs/dbraw/zinc/61/64/54/446616454.db2.gz ICJGBYBNABMKBB-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP [NH3+]CC1(O)CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000420404325 446579069 /nfs/dbraw/zinc/57/90/69/446579069.db2.gz NAYPFGPALXMOJK-UHFFFAOYSA-N 2 0 327.428 1.954 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(N)=O)C2CCCCC2)CC1 ZINC000411514137 446579172 /nfs/dbraw/zinc/57/91/72/446579172.db2.gz FOHCZLZNSMRGEQ-INIZCTEOSA-N 2 0 338.496 1.001 20 0 EDADRP O=C1N[C@H]2C[N@H+](CCCc3ccccc3)CC[C@@H]2N1C1CC[NH2+]CC1 ZINC000420406588 446580184 /nfs/dbraw/zinc/58/01/84/446580184.db2.gz RBEVEHBKTQPYFG-OALUTQOASA-N 2 0 342.487 1.839 20 0 EDADRP CCC[C@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418537496 446584879 /nfs/dbraw/zinc/58/48/79/446584879.db2.gz JUUVNVQYBTUYQQ-WMZOPIPTSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000418552267 446591146 /nfs/dbraw/zinc/59/11/46/446591146.db2.gz BQSYFCDKWITSIQ-RHSMWYFYSA-N 2 0 334.464 1.883 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)c1 ZINC000418571970 446599974 /nfs/dbraw/zinc/59/99/74/446599974.db2.gz KCHMZUXLEGQNKE-MAUKXSAKSA-N 2 0 348.491 1.766 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)C[C@H]1CC ZINC000418592656 446606325 /nfs/dbraw/zinc/60/63/25/446606325.db2.gz DGWXQPKLEDLTIV-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418659192 446637524 /nfs/dbraw/zinc/63/75/24/446637524.db2.gz VHIIYXRRPIMNPB-KRWDZBQOSA-N 2 0 326.485 1.272 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000418665032 446640972 /nfs/dbraw/zinc/64/09/72/446640972.db2.gz DLMTYTDSLXTMHP-QZTJIDSGSA-N 2 0 348.491 1.613 20 0 EDADRP CCOC(=O)CC1([NH2+]CC(=O)NC2CC[NH+](CC)CC2)CCCC1 ZINC000411669839 446641957 /nfs/dbraw/zinc/64/19/57/446641957.db2.gz KJUYMFFVOYUCQU-UHFFFAOYSA-N 2 0 339.480 1.443 20 0 EDADRP CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C1(C)C ZINC000411795916 446676481 /nfs/dbraw/zinc/67/64/81/446676481.db2.gz KBIYJSHXSDPVTH-QAPCUYQASA-N 2 0 325.497 1.769 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000418731495 446657176 /nfs/dbraw/zinc/65/71/76/446657176.db2.gz TVKCOKSXGATWGI-LSDHHAIUSA-N 2 0 326.485 1.038 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000423721212 446658899 /nfs/dbraw/zinc/65/88/99/446658899.db2.gz FGAZRYDYYXEDOE-AYHJJNSGSA-N 2 0 343.471 1.392 20 0 EDADRP COCC1(C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH2+]CC1 ZINC000423720132 446658999 /nfs/dbraw/zinc/65/89/99/446658999.db2.gz AAINDXFRMZUQBS-IXDOHACOSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423724930 446660150 /nfs/dbraw/zinc/66/01/50/446660150.db2.gz ITCZOZFNHRXCDK-MRXNPFEDSA-N 2 0 341.459 1.691 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418630746 446623904 /nfs/dbraw/zinc/62/39/04/446623904.db2.gz GCTVPPRGCUKVQP-AEFFLSMTSA-N 2 0 346.475 1.019 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC[N@@H+]1C ZINC000418641374 446628124 /nfs/dbraw/zinc/62/81/24/446628124.db2.gz SCLVXRLAVBGLQY-ZWKOTPCHSA-N 2 0 330.476 1.855 20 0 EDADRP COCC1(CNC(=O)N(CC[NH+](C)C)C2CCCC2)CC[NH2+]CC1 ZINC000418644386 446630263 /nfs/dbraw/zinc/63/02/63/446630263.db2.gz VGKDTLVRKWRPBP-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767229 446695093 /nfs/dbraw/zinc/69/50/93/446695093.db2.gz ABCJWHSWKOJRFI-RXQRSOPUSA-N 2 0 345.487 1.910 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423768258 446695114 /nfs/dbraw/zinc/69/51/14/446695114.db2.gz WXGCUYNBJHQWSN-QGZVFWFLSA-N 2 0 325.497 1.726 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000368198568 446703840 /nfs/dbraw/zinc/70/38/40/446703840.db2.gz BKJGGQKTRGZAIC-GOSISDBHSA-N 2 0 342.487 1.306 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)NCC[NH+](C)C)[C@@H](C)C2)s1 ZINC000371261085 446721633 /nfs/dbraw/zinc/72/16/33/446721633.db2.gz UQGXCQMWOVRTRW-WFASDCNBSA-N 2 0 339.509 1.523 20 0 EDADRP CC(C)(CNC(=O)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[NH+]1CCCCC1 ZINC000418835413 446740447 /nfs/dbraw/zinc/74/04/47/446740447.db2.gz NOWOABRJNPFQDY-CABCVRRESA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000423750585 446680518 /nfs/dbraw/zinc/68/05/18/446680518.db2.gz UGYJWVAEIVIVRC-MRXNPFEDSA-N 2 0 339.867 1.609 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)COC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423902830 446753968 /nfs/dbraw/zinc/75/39/68/446753968.db2.gz MMGXVNBSINBXCK-RDJZCZTQSA-N 2 0 331.460 1.392 20 0 EDADRP O=C([C@@H]1COCCN1)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000423917426 446766218 /nfs/dbraw/zinc/76/62/18/446766218.db2.gz ZNZPBUSGHHOFBV-FHWLQOOXSA-N 2 0 343.471 1.488 20 0 EDADRP CCn1ccnc1[C@@H](C)NC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000454220911 446811738 /nfs/dbraw/zinc/81/17/38/446811738.db2.gz FBHVHVOBEQRSOM-QLFBSQMISA-N 2 0 337.468 1.763 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)CCCO1 ZINC000424023960 446826735 /nfs/dbraw/zinc/82/67/35/446826735.db2.gz QIYXDPSMWHZURF-KRWDZBQOSA-N 2 0 349.500 1.425 20 0 EDADRP Cc1cc(CCNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)on1 ZINC000376990673 446845224 /nfs/dbraw/zinc/84/52/24/446845224.db2.gz DRLUXZWDYCEUDW-INIZCTEOSA-N 2 0 349.479 1.335 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)[NH+](C)C)cc1 ZINC000454440363 446874369 /nfs/dbraw/zinc/87/43/69/446874369.db2.gz AXJRVUZSRWBXGM-OKZBNKHCSA-N 2 0 330.476 1.943 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)c1ccc(F)cc1 ZINC000454533087 446902757 /nfs/dbraw/zinc/90/27/57/446902757.db2.gz IDUAKZFXJNCDDQ-BHYGNILZSA-N 2 0 334.439 1.774 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)CCC[N@@H+]1C ZINC000412254834 446912327 /nfs/dbraw/zinc/91/23/27/446912327.db2.gz YRHKHUIUCDRNPO-KBMXLJTQSA-N 2 0 325.522 1.803 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419121667 446936785 /nfs/dbraw/zinc/93/67/85/446936785.db2.gz SEVZVSOXDHKYPI-KRWDZBQOSA-N 2 0 346.475 1.039 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)C(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000419196011 447005402 /nfs/dbraw/zinc/00/54/02/447005402.db2.gz AFGDMOYJXRDOJE-OAHLLOKOSA-N 2 0 348.491 1.115 20 0 EDADRP CC[C@H](C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1)OC ZINC000419201620 447007677 /nfs/dbraw/zinc/00/76/77/447007677.db2.gz GBFKWYRRFXJGTG-MRXNPFEDSA-N 2 0 327.513 1.827 20 0 EDADRP CCOCc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062251 447001937 /nfs/dbraw/zinc/00/19/37/447001937.db2.gz UBZBMDVNYOIAMH-INIZCTEOSA-N 2 0 333.476 1.900 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000372107655 447004309 /nfs/dbraw/zinc/00/43/09/447004309.db2.gz KVBGXBYYBPUUJY-SJLPKXTDSA-N 2 0 337.508 1.604 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]1C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000372105770 447004523 /nfs/dbraw/zinc/00/45/23/447004523.db2.gz QMWPYRKUUDLJSJ-QRVBRYPASA-N 2 0 345.487 1.676 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ncn1 ZINC000375804400 447065186 /nfs/dbraw/zinc/06/51/86/447065186.db2.gz HZCJTQPRQACQRE-TWMKSMIVSA-N 3 0 344.507 1.950 20 0 EDADRP COC(=O)c1cccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000375757327 447025793 /nfs/dbraw/zinc/02/57/93/447025793.db2.gz LJAVTJZAVWTGEE-SJPCQFCGSA-N 2 0 345.443 1.969 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN(C)C(C)(C)C[NH+]2CCCC2)CC1 ZINC000419384518 447142621 /nfs/dbraw/zinc/14/26/21/447142621.db2.gz ZOPASXNHZADKFW-UHFFFAOYSA-N 2 0 338.540 1.782 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H]2CC[NH+](C)[C@H]2c2cccnc2)C1 ZINC000372578399 447157683 /nfs/dbraw/zinc/15/76/83/447157683.db2.gz RTWJUMYAEHEDLP-BZSNNMDCSA-N 2 0 345.491 1.858 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000419408451 447158745 /nfs/dbraw/zinc/15/87/45/447158745.db2.gz LPDONWSHFMFKKM-GJZGRUSLSA-N 2 0 338.496 1.143 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)[NH+](C)C ZINC000455422481 447126545 /nfs/dbraw/zinc/12/65/45/447126545.db2.gz ADKSGEWDPNBYQU-CWRNSKLLSA-N 2 0 326.485 1.004 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3Cc4ccccc4[C@H]3O)CC2)CC1 ZINC000368820727 447133774 /nfs/dbraw/zinc/13/37/74/447133774.db2.gz GCDPCUVBDGKNFQ-WOJBJXKFSA-N 2 0 343.515 1.994 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425458177 447173213 /nfs/dbraw/zinc/17/32/13/447173213.db2.gz MBHPSERCOQIKPI-KRWDZBQOSA-N 2 0 338.540 1.735 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000455662883 447202891 /nfs/dbraw/zinc/20/28/91/447202891.db2.gz WJOYYPOICZAALA-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP C[N@@H+]1C[C@@H]2CCCN(C(=O)N[C@H]3CC[NH+](Cc4ccccc4)C3)[C@@H]2C1 ZINC000425648459 447252519 /nfs/dbraw/zinc/25/25/19/447252519.db2.gz ULQSNWHVIOEAPP-GBESFXJTSA-N 2 0 342.487 1.997 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000376042024 447230720 /nfs/dbraw/zinc/23/07/20/447230720.db2.gz JNIOBXLVHPKRCY-ICSRJNTNSA-N 2 0 345.487 1.865 20 0 EDADRP [NH3+]CCn1cc(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)nn1 ZINC000379667406 447454538 /nfs/dbraw/zinc/45/45/38/447454538.db2.gz ZPXGLEJZSXXIFD-MRXNPFEDSA-N 2 0 342.447 1.021 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NCC1CC[NH+](C2CC2)CC1 ZINC000458707198 447457846 /nfs/dbraw/zinc/45/78/46/447457846.db2.gz NXHHNILPFMXBMY-KRWDZBQOSA-N 2 0 338.496 1.007 20 0 EDADRP COCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)o1 ZINC000382469826 447462576 /nfs/dbraw/zinc/46/25/76/447462576.db2.gz GUVXXONQJJKUKT-YOEHRIQHSA-N 2 0 335.448 1.506 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415506320 447486110 /nfs/dbraw/zinc/48/61/10/447486110.db2.gz ZUCRXFXSUOSLCV-INIZCTEOSA-N 2 0 334.464 1.363 20 0 EDADRP C[C@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000419928874 447495538 /nfs/dbraw/zinc/49/55/38/447495538.db2.gz LOUJYJRRBSHMFZ-WBVHZDCISA-N 2 0 346.475 1.041 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000419968822 447520943 /nfs/dbraw/zinc/52/09/43/447520943.db2.gz QTSXSTNBGLETSY-INIZCTEOSA-N 2 0 340.512 1.201 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000495009498 447473508 /nfs/dbraw/zinc/47/35/08/447473508.db2.gz AVJLNYMMZNVWMK-HOTGVXAUSA-N 2 0 341.496 1.822 20 0 EDADRP Cn1ccnc1[C@@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C1CC1 ZINC000458779752 447475138 /nfs/dbraw/zinc/47/51/38/447475138.db2.gz UMOZLAXQUWFLOW-CABCVRRESA-N 2 0 335.452 1.017 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H](C)O1 ZINC000457412304 447575202 /nfs/dbraw/zinc/57/52/02/447575202.db2.gz XYIOGILJBYKEMX-HZPDHXFCSA-N 2 0 337.508 1.866 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[C@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000427292985 447575787 /nfs/dbraw/zinc/57/57/87/447575787.db2.gz WMNBXRAUELOXJP-MJGOQNOKSA-N 2 0 344.503 1.481 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000457427928 447578509 /nfs/dbraw/zinc/57/85/09/447578509.db2.gz WDXKJMVINOAVOU-ROUUACIJSA-N 2 0 348.491 1.435 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NC(C)(C)C[NH+]2CCCC2)C1 ZINC000457514587 447584798 /nfs/dbraw/zinc/58/47/98/447584798.db2.gz MIGOPEIGBRTQFY-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416150364 447532817 /nfs/dbraw/zinc/53/28/17/447532817.db2.gz JQIUARFRDRGKCX-QZTJIDSGSA-N 2 0 333.476 1.906 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000393870965 447533119 /nfs/dbraw/zinc/53/31/19/447533119.db2.gz YFFNUHWEIAPNBD-KRWDZBQOSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CN(C(=O)OC(C)(C)C)CCN2C)CC[N@@H+]1C ZINC000394408748 447538463 /nfs/dbraw/zinc/53/84/63/447538463.db2.gz MQNKLJDKDHGHGJ-OWCLPIDISA-N 2 0 340.512 1.610 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)c1cccc(C#N)c1)C1CC[NH+](C)CC1 ZINC000396443807 447544860 /nfs/dbraw/zinc/54/48/60/447544860.db2.gz BQCXKMGLRVLHRE-AWEZNQCLSA-N 2 0 335.473 1.652 20 0 EDADRP CCN(C(=O)C(=O)N[C@H](C)C[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000420013453 447546051 /nfs/dbraw/zinc/54/60/51/447546051.db2.gz LEURMDZVIZAPNI-VYDXJSESSA-N 2 0 346.475 1.134 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N[C@H](CO)C[NH+]1CCCCC1)c1ccccc1 ZINC000416246736 447547893 /nfs/dbraw/zinc/54/78/93/447547893.db2.gz VUNACIDJWBDICF-ROUUACIJSA-N 2 0 333.476 1.642 20 0 EDADRP COCC[NH2+]CC(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404264723 447598563 /nfs/dbraw/zinc/59/85/63/447598563.db2.gz GOUNQRVLMWUHHI-ULQDDVLXSA-N 2 0 333.476 1.732 20 0 EDADRP O=C(C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000450866662 447600388 /nfs/dbraw/zinc/60/03/88/447600388.db2.gz TYHJMNSPWCITBN-UHOSZYNNSA-N 2 0 347.503 1.667 20 0 EDADRP O=C1CC[C@H](C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCN1 ZINC000450890615 447606298 /nfs/dbraw/zinc/60/62/98/447606298.db2.gz VYQVRHQSCKXOOY-GBESFXJTSA-N 2 0 327.472 1.967 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420117684 447612396 /nfs/dbraw/zinc/61/23/96/447612396.db2.gz HYCOCDGCCZRPGL-YOEHRIQHSA-N 2 0 346.475 1.265 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000420124176 447617216 /nfs/dbraw/zinc/61/72/16/447617216.db2.gz LWYNXBMZDRZBBA-ZQIUZPCESA-N 2 0 346.475 1.167 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459252381 447622829 /nfs/dbraw/zinc/62/28/29/447622829.db2.gz GWOZHLWCEGICCP-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000420140130 447629776 /nfs/dbraw/zinc/62/97/76/447629776.db2.gz GSFVTVHZBOJMPV-OAGGEKHMSA-N 2 0 338.496 1.094 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F)c1cccc(F)c1 ZINC000416852957 447696516 /nfs/dbraw/zinc/69/65/16/447696516.db2.gz SUKGXIKJQUPTPS-UONOGXRCSA-N 2 0 344.381 1.725 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC[C@H](C[NH3+])C3)c2)CC1 ZINC000428518587 447705870 /nfs/dbraw/zinc/70/58/70/447705870.db2.gz BYYVPRNLBNJZNH-QGZVFWFLSA-N 2 0 330.476 1.245 20 0 EDADRP C[C@@H]1CN(Cc2cnc(C3CC3)nc2)CCN1C1CC[NH+](C)CC1 ZINC000459562480 447706649 /nfs/dbraw/zinc/70/66/49/447706649.db2.gz PXZNQVYPIURTPT-OAHLLOKOSA-N 2 0 329.492 1.954 20 0 EDADRP CN1CCC(CNC(=O)NC(C)(C)CC[NH3+])([NH+]2CCCCC2)CC1 ZINC000422605343 447666707 /nfs/dbraw/zinc/66/67/07/447666707.db2.gz PZAQGGAEHPHLBA-UHFFFAOYSA-N 2 0 339.528 1.363 20 0 EDADRP O[C@@H]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)[N@H+](Cc2ccccc2)C1 ZINC000459452592 447670725 /nfs/dbraw/zinc/67/07/25/447670725.db2.gz MFZOBVSUVOYJJF-VQTJNVASSA-N 2 0 329.488 1.838 20 0 EDADRP COCC1(CNc2cc(N3CC[C@H]([C@@H](C)O)C3)ncn2)CC[NH2+]CC1 ZINC000420240431 447682857 /nfs/dbraw/zinc/68/28/57/447682857.db2.gz LZMYRXPMXADBRX-CABCVRRESA-N 2 0 349.479 1.112 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)c1cc(N2CCOCC2)ncn1 ZINC000420238052 447682915 /nfs/dbraw/zinc/68/29/15/447682915.db2.gz IOPAEZGYRJCIHW-UHFFFAOYSA-N 2 0 327.432 1.321 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(=O)[nH]n3)cn2)CC1 ZINC000428217435 447685354 /nfs/dbraw/zinc/68/53/54/447685354.db2.gz HBEITLQTTNUJTM-AWEZNQCLSA-N 2 0 342.447 1.570 20 0 EDADRP CN(C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1)C1CC([NH3+])C1 ZINC000417087684 447734155 /nfs/dbraw/zinc/73/41/55/447734155.db2.gz HRBDTBDIPCYMMD-UHFFFAOYSA-N 2 0 330.476 1.954 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422746956 447737209 /nfs/dbraw/zinc/73/72/09/447737209.db2.gz XRTOGHDYFGBSLK-VQTJNVASSA-N 2 0 347.503 1.526 20 0 EDADRP CO[C@H]1C[C@H]([N@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)C12CCC2 ZINC000451857601 447764739 /nfs/dbraw/zinc/76/47/39/447764739.db2.gz URHPTUUVBWREEQ-IRXDYDNUSA-N 2 0 337.508 1.865 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@H]1CCC[NH2+]CC1)CC2 ZINC000422770242 447746245 /nfs/dbraw/zinc/74/62/45/447746245.db2.gz URGORAPDYLNWNM-KRWDZBQOSA-N 2 0 333.476 1.794 20 0 EDADRP c1cc(N2CCOCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422804228 447754763 /nfs/dbraw/zinc/75/47/63/447754763.db2.gz DYGBEVXQWMJHCA-KZNAEPCWSA-N 2 0 330.476 1.929 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000458266956 447758004 /nfs/dbraw/zinc/75/80/04/447758004.db2.gz FGOUOQICNOVMOW-CALCHBBNSA-N 2 0 342.528 1.595 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C1C[NH2+]C1 ZINC000422943180 447777958 /nfs/dbraw/zinc/77/79/58/447777958.db2.gz QMKYRNUQWJKIRM-ZYHUDNBSSA-N 2 0 329.238 1.386 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1 ZINC000422945094 447778017 /nfs/dbraw/zinc/77/80/17/447778017.db2.gz TZOPJAYZROWNAG-XJKSGUPXSA-N 2 0 325.478 1.415 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422950215 447778947 /nfs/dbraw/zinc/77/89/47/447778947.db2.gz XLWNTANWSZUECU-CABCVRRESA-N 2 0 339.505 1.803 20 0 EDADRP O=C(NC1CC1)c1cccc(C[NH2+][C@@H](C2CC2)[C@H]2CNCCO2)c1 ZINC000422950639 447778959 /nfs/dbraw/zinc/77/89/59/447778959.db2.gz YSTGDUDCAGBVLC-MSOLQXFVSA-N 2 0 329.444 1.435 20 0 EDADRP C[C@H](NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422961998 447781817 /nfs/dbraw/zinc/78/18/17/447781817.db2.gz BMQFFGYPLKKXGB-YOEHRIQHSA-N 2 0 326.444 1.564 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H](C)O)[C@H](CC)C1 ZINC000462723935 447799801 /nfs/dbraw/zinc/79/98/01/447799801.db2.gz VOJOMSBQLZNXIJ-BRWVUGGUSA-N 2 0 342.528 1.593 20 0 EDADRP C[NH+](C)CCOCCNC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000471649581 447807308 /nfs/dbraw/zinc/80/73/08/447807308.db2.gz ZARMOAQBNWKPPR-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP CN(C(=O)NCCOCC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000471659243 447808273 /nfs/dbraw/zinc/80/82/73/447808273.db2.gz PSKLAZNDUWBWPF-SFHVURJKSA-N 2 0 348.491 1.481 20 0 EDADRP C[C@H]1CN(C(=O)NC[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000487820754 447837064 /nfs/dbraw/zinc/83/70/64/447837064.db2.gz MPRJDUQPCQQIRS-HZPDHXFCSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000549126783 447864448 /nfs/dbraw/zinc/86/44/48/447864448.db2.gz JUGUEAVGZGLEEX-SJLPKXTDSA-N 2 0 331.460 1.345 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489527106 447862801 /nfs/dbraw/zinc/86/28/01/447862801.db2.gz GNSYIYDIWQVNKO-INIZCTEOSA-N 2 0 326.485 1.082 20 0 EDADRP Cc1ccc(-c2nc(CNC(=O)N3CCN(C)C[C@@H]3C[NH3+])co2)cc1 ZINC000575733680 447883818 /nfs/dbraw/zinc/88/38/18/447883818.db2.gz QXODXDKISWQJMF-INIZCTEOSA-N 2 0 343.431 1.434 20 0 EDADRP C[NH+]1CCN(Cc2cccc(NC(=O)COC3CC[NH2+]CC3)c2)CC1 ZINC000569840614 447904351 /nfs/dbraw/zinc/90/43/51/447904351.db2.gz CZECQFJASDGWHH-UHFFFAOYSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@H]3CC[NH+](C)C3)CC2)C[C@H](C)O1 ZINC000530702471 447943171 /nfs/dbraw/zinc/94/31/71/447943171.db2.gz NOVOCPZGGPJFDR-JZXOWHBKSA-N 2 0 337.508 1.676 20 0 EDADRP CN(C[C@@H](O)C[NH2+]Cc1ccc2c[nH+]cn2c1)C(=O)OC(C)(C)C ZINC000496846583 447964880 /nfs/dbraw/zinc/96/48/80/447964880.db2.gz MBLZUYRZPPBGHC-HNNXBMFYSA-N 2 0 334.420 1.652 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCCN2CC[NH2+]CC2)C1 ZINC000570306403 447984733 /nfs/dbraw/zinc/98/47/33/447984733.db2.gz YRCZDFYQZQQLLT-AEFFLSMTSA-N 2 0 345.491 1.026 20 0 EDADRP CC[N@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000570322534 447985476 /nfs/dbraw/zinc/98/54/76/447985476.db2.gz JQPAIARCVOHXPZ-QKLQHJQFSA-N 3 0 349.519 1.698 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CCC[C@H](F)C1 ZINC000570335554 447989666 /nfs/dbraw/zinc/98/96/66/447989666.db2.gz AUNPLDIEOHRCHO-INIZCTEOSA-N 2 0 349.454 1.737 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000530819000 447965570 /nfs/dbraw/zinc/96/55/70/447965570.db2.gz CHSLXRAQQNYRFP-UYAOXDASSA-N 2 0 345.487 1.614 20 0 EDADRP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000576390404 448042527 /nfs/dbraw/zinc/04/25/27/448042527.db2.gz ICOWMJDNWCDNMT-MSOLQXFVSA-N 2 0 349.519 1.775 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000500189029 448087702 /nfs/dbraw/zinc/08/77/02/448087702.db2.gz SYEHGXFCQWMMJR-NUEKZKHPSA-N 2 0 326.485 1.004 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)Cc1cccc(Cl)c1 ZINC000571000017 448093023 /nfs/dbraw/zinc/09/30/23/448093023.db2.gz VUZORBGJVXBGFX-UHFFFAOYSA-N 2 0 347.912 1.595 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)[NH+](C)C1 ZINC000501762443 448098083 /nfs/dbraw/zinc/09/80/83/448098083.db2.gz NTPOPGRISFMLDS-ULQDDVLXSA-N 2 0 340.512 1.325 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN[C@H]1CC[NH+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000576884768 448163095 /nfs/dbraw/zinc/16/30/95/448163095.db2.gz LIGXNWCPVYZHSH-YZGWKJHDSA-N 2 0 347.503 1.875 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)C(=O)Nc2ccc3nccn3c2)CC1 ZINC000576797179 448139514 /nfs/dbraw/zinc/13/95/14/448139514.db2.gz ZWGBBAOJIWCBNJ-UHFFFAOYSA-N 2 0 327.388 1.041 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000514837827 448211172 /nfs/dbraw/zinc/21/11/72/448211172.db2.gz JWTMXHIBRZLXFN-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)CC1 ZINC000571908669 448233978 /nfs/dbraw/zinc/23/39/78/448233978.db2.gz PUGSPFXYFWUTQF-PWIZWCRZSA-N 2 0 346.519 1.988 20 0 EDADRP C[C@H]1C[C@H](NCc2ccc(C(=O)N3CCOCC3)cc2)CC[N@@H+]1C ZINC000532209514 448216507 /nfs/dbraw/zinc/21/65/07/448216507.db2.gz MVNYRWOTJWRMDD-MAUKXSAKSA-N 2 0 331.460 1.731 20 0 EDADRP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCO)CC2 ZINC000571870831 448222021 /nfs/dbraw/zinc/22/20/21/448222021.db2.gz LAVQXFYOICNMLE-GJZGRUSLSA-N 2 0 348.491 1.601 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000532282264 448225564 /nfs/dbraw/zinc/22/55/64/448225564.db2.gz JGHRSSJUICAZGS-DJIMGWMZSA-N 2 0 338.496 1.100 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)[NH+]2CCCC2)cc1 ZINC000591092301 448259516 /nfs/dbraw/zinc/25/95/16/448259516.db2.gz YQFSFFHLFLHXPY-AEFFLSMTSA-N 2 0 331.460 1.900 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c1 ZINC000572112525 448289108 /nfs/dbraw/zinc/28/91/08/448289108.db2.gz ODKYWVOBYMFATR-RLLQIKCJSA-N 2 0 348.487 1.702 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000572116158 448290943 /nfs/dbraw/zinc/29/09/43/448290943.db2.gz MWMSDJMVGCTPBR-AEFFLSMTSA-N 2 0 331.460 1.346 20 0 EDADRP COCC1(CNC(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)CC[NH2+]CC1 ZINC000582797468 448344945 /nfs/dbraw/zinc/34/49/45/448344945.db2.gz QBSYFROQJWOIOA-INIZCTEOSA-N 2 0 340.512 1.422 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000582834656 448353373 /nfs/dbraw/zinc/35/33/73/448353373.db2.gz ZLVWWOCALAQKEK-BBWFWOEESA-N 2 0 339.528 1.029 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000591571567 448393464 /nfs/dbraw/zinc/39/34/64/448393464.db2.gz PRGCJBATSONFEI-QGZVFWFLSA-N 2 0 348.491 1.563 20 0 EDADRP COc1ccccc1COC[C@@H](O)C[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000572596067 448416270 /nfs/dbraw/zinc/41/62/70/448416270.db2.gz FNQATNRBFSRNSN-YJBOKZPZSA-N 2 0 334.460 1.813 20 0 EDADRP C[N@H+](C[C@@H](O)CNCCC[NH+]1CCN(c2ccccc2)CC1)C1CC1 ZINC000516762035 448469897 /nfs/dbraw/zinc/46/98/97/448469897.db2.gz SBTSRHMGBNUUAX-FQEVSTJZSA-N 2 0 346.519 1.243 20 0 EDADRP C(C[N@@H+]1CCC[C@@H](c2nnc3n2CCCCC3)C1)N1CC[NH2+]CC1 ZINC000566245230 448429051 /nfs/dbraw/zinc/42/90/51/448429051.db2.gz MOAHPTBLEMHYIZ-MRXNPFEDSA-N 2 0 332.496 1.089 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](CC(C)(C)C)[NH2+]C)CC1 ZINC000566296935 448438158 /nfs/dbraw/zinc/43/81/58/448438158.db2.gz AEXFXQRITOEQQG-INIZCTEOSA-N 2 0 326.529 1.545 20 0 EDADRP CCOC(=O)CC[C@H](O)C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000516563269 448438334 /nfs/dbraw/zinc/43/83/34/448438334.db2.gz AXHQUUNZHBCVEL-YESZJQIVSA-N 2 0 342.480 1.048 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN(Cc1ccccc1)[C@@H](C)CN1CCOCC1 ZINC000572703510 448441901 /nfs/dbraw/zinc/44/19/01/448441901.db2.gz KJDCKKQTUJKLAP-ICSRJNTNSA-N 2 0 349.519 1.522 20 0 EDADRP CCOc1ccc(OCCNC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000566355667 448452939 /nfs/dbraw/zinc/45/29/39/448452939.db2.gz GVLODLONDUQNOF-UHFFFAOYSA-N 2 0 349.475 1.641 20 0 EDADRP C[C@H]1C[NH+](CCC2CCN(C(=O)CCCC[NH3+])CC2)C[C@H](C)O1 ZINC000578130680 448468511 /nfs/dbraw/zinc/46/85/11/448468511.db2.gz XELZRWGLVVHTFB-HOTGVXAUSA-N 2 0 325.497 1.853 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2cnc(N3CCCC3)nc2)CC1 ZINC000591717150 448469687 /nfs/dbraw/zinc/46/96/87/448469687.db2.gz LFXKULFFYUVKCC-UHFFFAOYSA-N 2 0 332.496 1.194 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000528339609 448491248 /nfs/dbraw/zinc/49/12/48/448491248.db2.gz XYAQGJDPKNICHD-RZFLPCETSA-N 2 0 339.524 1.920 20 0 EDADRP Cc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)ccc1-n1cncn1 ZINC000578282469 448503746 /nfs/dbraw/zinc/50/37/46/448503746.db2.gz DJQKZYGSWGCCNH-UHFFFAOYSA-N 2 0 330.480 1.501 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)C1 ZINC000517019459 448523993 /nfs/dbraw/zinc/52/39/93/448523993.db2.gz GDBARKAQCVORSR-BPQIPLTHSA-N 2 0 330.476 1.855 20 0 EDADRP C[C@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578354607 448527453 /nfs/dbraw/zinc/52/74/53/448527453.db2.gz PQEUQTSNJNIECL-NRUSHDPLSA-N 2 0 348.491 1.750 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCOC)CC1 ZINC000578661183 448606852 /nfs/dbraw/zinc/60/68/52/448606852.db2.gz YJKKLDPWRYHYFG-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000567147815 448623701 /nfs/dbraw/zinc/62/37/01/448623701.db2.gz DXIIZFZVRJXOMP-JQHSSLGASA-N 2 0 330.476 1.682 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000578574828 448582084 /nfs/dbraw/zinc/58/20/84/448582084.db2.gz SYPAMKHWPGXSNU-UHFFFAOYSA-N 2 0 327.476 1.990 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)C2)CCCO1 ZINC000573278509 448586180 /nfs/dbraw/zinc/58/61/80/448586180.db2.gz AZFQSRYLTIQGMQ-HOTGVXAUSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H](O)CN1CCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000517585923 448597741 /nfs/dbraw/zinc/59/77/41/448597741.db2.gz XQYARXBBIZKLMU-AOIWGVFYSA-N 2 0 345.487 1.422 20 0 EDADRP C[NH+](C)CC1CCC(NC(=O)C2(n3cccn3)CC[NH2+]CC2)CC1 ZINC000578772352 448634336 /nfs/dbraw/zinc/63/43/36/448634336.db2.gz SOMXPACQYPCYOG-UHFFFAOYSA-N 2 0 333.480 1.198 20 0 EDADRP C[C@@H]1C[N@@H+](CCC2CCN(C(=O)[C@]3(C)CCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000573688501 448690843 /nfs/dbraw/zinc/69/08/43/448690843.db2.gz TVPTVUACHQYRLL-FCEWJHQRSA-N 2 0 337.508 1.866 20 0 EDADRP COC(=O)[C@@H]1C[NH+](C/C=C\C[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129767 448699889 /nfs/dbraw/zinc/69/98/89/448699889.db2.gz WATLWASSJVJSKE-YAYUBMGZSA-N 2 0 338.448 1.024 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000579086615 448710196 /nfs/dbraw/zinc/71/01/96/448710196.db2.gz FOPOIZRCDIGKSP-TZMCWYRMSA-N 2 0 342.443 1.012 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CNC(=O)CC(F)(F)F)C1 ZINC000567363612 448676656 /nfs/dbraw/zinc/67/66/56/448676656.db2.gz MWYDBLZWEYDHEW-QWHCGFSZSA-N 2 0 339.402 1.080 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000567817450 448767039 /nfs/dbraw/zinc/76/70/39/448767039.db2.gz PUMAXHGMJGAIRO-UHFFFAOYSA-N 2 0 341.459 1.814 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000518979996 448728763 /nfs/dbraw/zinc/72/87/63/448728763.db2.gz YVHPFAGTXJMBNS-ARFHVFGLSA-N 2 0 348.491 1.255 20 0 EDADRP c1ccc2nc(NCC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)ccc2c1 ZINC000579221200 448743243 /nfs/dbraw/zinc/74/32/43/448743243.db2.gz MYGUNUTXSHHTRC-YTQUADARSA-N 2 0 340.471 2.393 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1COCC[NH2+]1 ZINC000529280933 448806349 /nfs/dbraw/zinc/80/63/49/448806349.db2.gz AJPTUKQDEDGFAM-GOSISDBHSA-N 2 0 346.475 1.460 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CC[NH+](C3CCC3)CC2)CC1 ZINC000519642090 448809729 /nfs/dbraw/zinc/80/97/29/448809729.db2.gz NENVQXNOIXQFOS-UHFFFAOYSA-N 2 0 338.496 1.413 20 0 EDADRP Cn1cnc(CCNC(=O)N2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000567854143 448774631 /nfs/dbraw/zinc/77/46/31/448774631.db2.gz DGRUSGXWUPBGOJ-KRWDZBQOSA-N 2 0 327.432 1.661 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000568191476 448832453 /nfs/dbraw/zinc/83/24/53/448832453.db2.gz JALRMPYWCIURQH-JKSUJKDBSA-N 2 0 341.521 1.041 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2CC[NH2+]C23CCC3)CC[C@H]1c1ccc(F)cc1 ZINC000529351708 448837445 /nfs/dbraw/zinc/83/74/45/448837445.db2.gz TTWSFOWBLQONIG-GVDBMIGSSA-N 2 0 346.450 1.937 20 0 EDADRP COc1cccc([C@@H](C)N2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)c1 ZINC000579691549 448853805 /nfs/dbraw/zinc/85/38/05/448853805.db2.gz OJKHZNRLBYTDOB-WBVHZDCISA-N 2 0 346.475 1.835 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000574414882 448870771 /nfs/dbraw/zinc/87/07/71/448870771.db2.gz SJMFEOOBBFQHAU-WMZOPIPTSA-N 2 0 341.459 1.620 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c21 ZINC000592554164 448896997 /nfs/dbraw/zinc/89/69/97/448896997.db2.gz FLJHYFJIBQKOPQ-JYJNAYRXSA-N 2 0 345.491 1.571 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)cc1 ZINC000574563368 448903199 /nfs/dbraw/zinc/90/31/99/448903199.db2.gz QZOQCCUPPBLNAZ-AFAVFJNCSA-N 2 0 337.489 1.633 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+]1CCO)Nc1cccc2c1CC[NH2+]C2 ZINC000568729040 448909325 /nfs/dbraw/zinc/90/93/25/448909325.db2.gz SFYMGODXDRHFND-HNNXBMFYSA-N 2 0 332.448 1.301 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)N(C)CCC[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000568730947 448911117 /nfs/dbraw/zinc/91/11/17/448911117.db2.gz YZZZGKXSAMIPGK-ROUUACIJSA-N 2 0 346.475 1.963 20 0 EDADRP C[N@H+](C[C@H](O)CN[C@H](CN1CC[NH+](C)CC1)c1ccccc1)C1CC1 ZINC000575039296 449019035 /nfs/dbraw/zinc/01/90/35/449019035.db2.gz DPIMPZXLFTVBSN-WOJBJXKFSA-N 2 0 346.519 1.020 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)COCc1ccccc1 ZINC000521863235 449019837 /nfs/dbraw/zinc/01/98/37/449019837.db2.gz VBDBHZTULBGDHK-AABGKKOBSA-N 2 0 348.487 1.532 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592956251 449076162 /nfs/dbraw/zinc/07/61/62/449076162.db2.gz FQOCXHFNAPGCEO-GJZGRUSLSA-N 2 0 347.507 1.960 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CCC([NH+]4CCCCC4)CC3)c21 ZINC000592955908 449076562 /nfs/dbraw/zinc/07/65/62/449076562.db2.gz FWJKNGBDGRYAAU-HNNXBMFYSA-N 2 0 345.491 1.810 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)c21 ZINC000592958786 449081873 /nfs/dbraw/zinc/08/18/73/449081873.db2.gz KBYZBBUUZBBTSH-GFCCVEGCSA-N 2 0 337.387 1.552 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N3CC[C@@H]([NH+]4CCCCC4)C3)c21 ZINC000592960139 449083797 /nfs/dbraw/zinc/08/37/97/449083797.db2.gz YYWPTBFERDOSDX-LSDHHAIUSA-N 2 0 331.464 1.420 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)COC[C@@H]1CCCO1 ZINC000522192901 449062373 /nfs/dbraw/zinc/06/23/73/449062373.db2.gz ZAVUWCGDSUCTRR-SJORKVTESA-N 2 0 341.496 1.057 20 0 EDADRP C[NH+](C)CCCNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000601877953 449202523 /nfs/dbraw/zinc/20/25/23/449202523.db2.gz YPJOZFUVWHGYCP-UHFFFAOYSA-N 2 0 342.553 1.989 20 0 EDADRP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1C ZINC000590593670 449210513 /nfs/dbraw/zinc/21/05/13/449210513.db2.gz WHTMWTPPZKGHKW-UHFFFAOYSA-N 2 0 335.448 1.356 20 0 EDADRP CCn1ccnc1CN1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000600500615 449414185 /nfs/dbraw/zinc/41/41/85/449414185.db2.gz PMQVODMPHYWUSE-MRXNPFEDSA-N 2 0 333.480 1.422 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000614066442 449441425 /nfs/dbraw/zinc/44/14/25/449441425.db2.gz FREVQAPDQZWHQY-APWZRJJASA-N 2 0 337.508 1.556 20 0 EDADRP CC(C)(C)OC(=O)[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CCC1 ZINC000600747509 449531696 /nfs/dbraw/zinc/53/16/96/449531696.db2.gz XXVFSXJNCTXJDV-CVEARBPZSA-N 2 0 326.481 1.791 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000606701052 449511451 /nfs/dbraw/zinc/51/14/51/449511451.db2.gz VGUWJGMGCAWLMW-MRXNPFEDSA-N 2 0 342.528 1.717 20 0 EDADRP CC(C)OC(=O)C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[NH3+])C1)C(C)C ZINC000594583261 449584574 /nfs/dbraw/zinc/58/45/74/449584574.db2.gz GFJAIZZGARNKQN-GJZGRUSLSA-N 2 0 327.469 1.140 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc4oc(=O)n(C)c4c3)C2)CC1 ZINC000602462215 449607912 /nfs/dbraw/zinc/60/79/12/449607912.db2.gz AUOVXAQWZYGKFM-INIZCTEOSA-N 2 0 344.459 1.343 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c4c(nn3C)CCCC4)C2)CC1 ZINC000602481148 449623209 /nfs/dbraw/zinc/62/32/09/449623209.db2.gz FNYHWVMZMPSXDU-KRWDZBQOSA-N 2 0 345.535 1.899 20 0 EDADRP CCN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CC[N@H+](C)C1 ZINC000617554666 449684434 /nfs/dbraw/zinc/68/44/34/449684434.db2.gz HKAJLEVIMQZGTO-LJQANCHMSA-N 2 0 344.503 1.751 20 0 EDADRP CCOC(=O)C(C)(C)CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000602602088 449697864 /nfs/dbraw/zinc/69/78/64/449697864.db2.gz NUINRUIMQVDZOK-UHFFFAOYSA-N 2 0 334.420 1.409 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)[NH+](C)C ZINC000617700446 449744526 /nfs/dbraw/zinc/74/45/26/449744526.db2.gz DZPINNLOHRVTIO-MSOLQXFVSA-N 2 0 333.476 1.456 20 0 EDADRP C[C@@H]1CN(CCNC(=O)c2cnn(-c3ccncc3)c2)[C@H](C)CO1 ZINC000617720312 449769420 /nfs/dbraw/zinc/76/94/20/449769420.db2.gz AWGYBBXNVXGZQM-ZIAGYGMSSA-N 2 0 329.404 1.106 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000594915420 449805803 /nfs/dbraw/zinc/80/58/03/449805803.db2.gz UJGUCDFLMYCCLF-FVQBIDKESA-N 2 0 332.448 1.121 20 0 EDADRP C[C@]1(NC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)CC[NH2+]C1 ZINC000612891251 449929837 /nfs/dbraw/zinc/92/98/37/449929837.db2.gz CXSAOSIPTGZHCT-KRWDZBQOSA-N 2 0 338.496 1.320 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000608712227 449917952 /nfs/dbraw/zinc/91/79/52/449917952.db2.gz PARPSHHYEVTGGU-SJORKVTESA-N 2 0 338.496 1.101 20 0 EDADRP C[C@]1(NC(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000612877267 449922053 /nfs/dbraw/zinc/92/20/53/449922053.db2.gz RDAQALICLUQBPM-MJGOQNOKSA-N 2 0 330.476 1.950 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000601436940 449959037 /nfs/dbraw/zinc/95/90/37/449959037.db2.gz MTDALZJEXJRBLD-XUWVNRHRSA-N 2 0 325.522 1.755 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612970992 449963988 /nfs/dbraw/zinc/96/39/88/449963988.db2.gz NKJAPBSZJNLCQS-QGZVFWFLSA-N 2 0 346.475 1.568 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC23CC[NH2+]CC3)[C@H]1c1ccccc1 ZINC000612975866 449967076 /nfs/dbraw/zinc/96/70/76/449967076.db2.gz OPLIPJAVIPIGIR-YESZJQIVSA-N 2 0 328.460 1.873 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CC23CC[NH2+]CC3)cc1 ZINC000612987694 449972914 /nfs/dbraw/zinc/97/29/14/449972914.db2.gz MVGKRJRGZTUJAX-IRXDYDNUSA-N 2 0 346.475 1.739 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)C2CC3CC(C2)CC1C3 ZINC000612994004 449976745 /nfs/dbraw/zinc/97/67/45/449976745.db2.gz RLUQIRDOYIRUTK-IRJKRNAASA-N 2 0 332.492 1.581 20 0 EDADRP COC(=O)c1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)nc1 ZINC000599449219 449984976 /nfs/dbraw/zinc/98/49/76/449984976.db2.gz NBFRKBWCRBTYTG-UHFFFAOYSA-N 2 0 348.491 1.716 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000618193984 450049001 /nfs/dbraw/zinc/04/90/01/450049001.db2.gz LQJIDOUYIHFJOX-UHFFFAOYSA-N 2 0 344.503 1.609 20 0 EDADRP C[C@H](NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)[C@H](C)N1CCOCC1 ZINC000625294255 450278493 /nfs/dbraw/zinc/27/84/93/450278493.db2.gz XIZBPRSIJHIVJA-PBWTXFEYSA-N 2 0 345.487 1.557 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618663819 450267589 /nfs/dbraw/zinc/26/75/89/450267589.db2.gz MTWWVTFFFCNGNC-KRWDZBQOSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000625333809 450298136 /nfs/dbraw/zinc/29/81/36/450298136.db2.gz ODGQIPXCUUEVMB-NZSAHSFTSA-N 2 0 344.503 1.084 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CC[NH+](CC3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000625381788 450323197 /nfs/dbraw/zinc/32/31/97/450323197.db2.gz UXBCMAUOYNDQGQ-OTWHNJEPSA-N 2 0 327.472 1.932 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)C1 ZINC000619904868 450369885 /nfs/dbraw/zinc/36/98/85/450369885.db2.gz QYPVNIKDVMLHSA-JKSUJKDBSA-N 2 0 325.522 1.804 20 0 EDADRP CCCN(CC[NH+]1CCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633039458 450636184 /nfs/dbraw/zinc/63/61/84/450636184.db2.gz KXCYRJUXVGJKAC-UHFFFAOYSA-N 2 0 335.496 1.783 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)C2(N3CCOCC3)CC2)C1 ZINC000631543978 450646254 /nfs/dbraw/zinc/64/62/54/450646254.db2.gz OMNHABLQRSPITF-SFHVURJKSA-N 2 0 343.471 1.584 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000635148638 450695524 /nfs/dbraw/zinc/69/55/24/450695524.db2.gz HBYYISZVENNPEK-GOSISDBHSA-N 2 0 345.487 1.736 20 0 EDADRP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000624120835 450714930 /nfs/dbraw/zinc/71/49/30/450714930.db2.gz HYNHQXYQLYRUHK-GOSISDBHSA-N 2 0 338.540 1.105 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CC[C@@H](O)C3)c2)CC[N@@H+]1C ZINC000633157455 450716005 /nfs/dbraw/zinc/71/60/05/450716005.db2.gz QWMDOPGJRPQCMC-FGTMMUONSA-N 2 0 331.460 1.922 20 0 EDADRP Cc1ncc([C@@H](C)[NH2+]C2CCN(CCN3CCOCC3)CC2)s1 ZINC000631707079 450723253 /nfs/dbraw/zinc/72/32/53/450723253.db2.gz PRKNPEQNMMOVFR-CQSZACIVSA-N 2 0 338.521 1.899 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCCc3cccc(C[NH3+])c32)CC1 ZINC000629559608 450736609 /nfs/dbraw/zinc/73/66/09/450736609.db2.gz GGUQFSIOEYPUPS-UHFFFAOYSA-N 2 0 330.476 1.498 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629571515 450742124 /nfs/dbraw/zinc/74/21/24/450742124.db2.gz VNSZRSYIDUEGNE-VQIMIIECSA-N 2 0 332.492 1.653 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000631738530 450743147 /nfs/dbraw/zinc/74/31/47/450743147.db2.gz OLEZUOWVLNCFAC-UHFFFAOYSA-N 2 0 349.566 1.219 20 0 EDADRP OC[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)Cc1ccc(F)c(F)c1 ZINC000629584432 450749712 /nfs/dbraw/zinc/74/97/12/450749712.db2.gz QYPFORSEWMMFQA-GJZGRUSLSA-N 2 0 328.403 1.162 20 0 EDADRP O=C(CCN1CCOCC1)Nc1cccc(C[NH2+]Cc2cn[nH]c2)c1 ZINC000624214883 450751400 /nfs/dbraw/zinc/75/14/00/450751400.db2.gz INLVHFQKBHJEET-UHFFFAOYSA-N 2 0 343.431 1.360 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000621648110 450811879 /nfs/dbraw/zinc/81/18/79/450811879.db2.gz RFFNPQUCNWVHSH-INIZCTEOSA-N 2 0 330.476 1.942 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)CC[C@@H]3CCC[NH2+]C3)CC2)CC1 ZINC000621659202 450819085 /nfs/dbraw/zinc/81/90/85/450819085.db2.gz BWOSXTQGHNOURK-KRWDZBQOSA-N 2 0 336.524 1.252 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000633370344 450822955 /nfs/dbraw/zinc/82/29/55/450822955.db2.gz CMCBDPNPCGJOBY-IAGOWNOFSA-N 2 0 338.496 1.221 20 0 EDADRP Cc1cccc(CN(CC[NH+](C)C)S(=O)(=O)CCC[NH+](C)C)c1 ZINC000631898715 450857265 /nfs/dbraw/zinc/85/72/65/450857265.db2.gz SKFGYCZCRBTXFZ-UHFFFAOYSA-N 2 0 341.521 1.640 20 0 EDADRP CC(=O)N1CC[C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c2ccccc21 ZINC000621751882 450857818 /nfs/dbraw/zinc/85/78/18/450857818.db2.gz PNJVXUNHPIIZSI-LPHOPBHVSA-N 2 0 344.503 1.957 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC[N@@H+]1C ZINC000631910380 450869784 /nfs/dbraw/zinc/86/97/84/450869784.db2.gz DCGIQQWOTMVVTK-MLHJIOFPSA-N 2 0 337.508 1.601 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000635352909 450875372 /nfs/dbraw/zinc/87/53/72/450875372.db2.gz YQZLBINEHHQAPK-MSOLQXFVSA-N 2 0 344.459 1.025 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NCC[NH+]2CC[C@H](O)C2)cc1)C(C)C ZINC000629913403 450881240 /nfs/dbraw/zinc/88/12/40/450881240.db2.gz YJQJMUHGDWMNFX-SFHVURJKSA-N 2 0 333.476 1.713 20 0 EDADRP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000629981475 450932213 /nfs/dbraw/zinc/93/22/13/450932213.db2.gz BJYVXRPZVZEZDQ-QGZVFWFLSA-N 2 0 330.476 1.846 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@@H]1C(F)(F)F ZINC000630092693 450991201 /nfs/dbraw/zinc/99/12/01/450991201.db2.gz RZJHYHOMBHXRGK-OLZOCXBDSA-N 2 0 333.398 1.848 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000626922766 451006271 /nfs/dbraw/zinc/00/62/71/451006271.db2.gz DVEDFBPKOZLOIE-KRWDZBQOSA-N 2 0 334.464 1.822 20 0 EDADRP CCN(CC[NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000626943689 451023111 /nfs/dbraw/zinc/02/31/11/451023111.db2.gz OPZYSEROBNJQAJ-UHFFFAOYSA-N 2 0 347.507 1.579 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626945183 451024071 /nfs/dbraw/zinc/02/40/71/451024071.db2.gz RFCOCZHZNMAIDJ-SJORKVTESA-N 2 0 330.476 1.743 20 0 EDADRP C[NH2+]CCOCCNC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000626947391 451026483 /nfs/dbraw/zinc/02/64/83/451026483.db2.gz TZOMRPRTMWNHKQ-HUUCEWRRSA-N 2 0 328.501 1.278 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000626966470 451039408 /nfs/dbraw/zinc/03/94/08/451039408.db2.gz VRAUJANPDQDGDJ-RDJZCZTQSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)C[N@@H+]1C1CC1 ZINC000626996865 451062508 /nfs/dbraw/zinc/06/25/08/451062508.db2.gz HGIVZZXXKBGCAU-NRWUCQMLSA-N 2 0 348.413 1.780 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627001727 451066787 /nfs/dbraw/zinc/06/67/87/451066787.db2.gz KZJYYKACICMBNH-HNNXBMFYSA-N 2 0 326.485 1.162 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N[C@@H]2CC[NH2+][C@H]2C)CC1 ZINC000627002053 451067647 /nfs/dbraw/zinc/06/76/47/451067647.db2.gz QIICWPCOLSZIDQ-GRDNDAEWSA-N 2 0 331.464 1.657 20 0 EDADRP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)NCCOCCC[NH3+])[NH+](C)C ZINC000627033344 451091840 /nfs/dbraw/zinc/09/18/40/451091840.db2.gz HKJXIHKYIYERHA-NVXWUHKLSA-N 2 0 336.480 1.651 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC1(C[NH3+])CCOCC1)c1ccccc1 ZINC000626977972 451047805 /nfs/dbraw/zinc/04/78/05/451047805.db2.gz IHIHNTSUCPPMTE-OAHLLOKOSA-N 2 0 348.491 1.923 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)NCCOCCC[NH3+])CC1 ZINC000626980597 451049944 /nfs/dbraw/zinc/04/99/44/451049944.db2.gz UYIACJCQFAZJOC-INIZCTEOSA-N 2 0 348.491 1.877 20 0 EDADRP C[C@@H]1CC[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C[NH2+]1 ZINC000627113437 451130619 /nfs/dbraw/zinc/13/06/19/451130619.db2.gz AERRNRYMRXEBMA-BASLNEPJSA-N 2 0 334.439 1.711 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000627116805 451133091 /nfs/dbraw/zinc/13/30/91/451133091.db2.gz NNHUEBLNBMSIGR-DLBZAZTESA-N 2 0 338.496 1.271 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CCC(c2ncc3n2CCCC3)CC1 ZINC000627173520 451163715 /nfs/dbraw/zinc/16/37/15/451163715.db2.gz ZVOHRCBXWXRZIU-UHFFFAOYSA-N 2 0 349.479 1.344 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000627177121 451167532 /nfs/dbraw/zinc/16/75/32/451167532.db2.gz DXIUZTAJOOKDKL-UHFFFAOYSA-N 2 0 348.491 1.528 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)cn1 ZINC000634095732 451191359 /nfs/dbraw/zinc/19/13/59/451191359.db2.gz FPRFZGVRRUTIKZ-UHFFFAOYSA-N 2 0 345.451 1.160 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cc(N2CC[NH+](C)CC2)ccn1 ZINC000634193159 451228181 /nfs/dbraw/zinc/22/81/81/451228181.db2.gz DVVXFUUXYGKAKN-CQSZACIVSA-N 2 0 333.480 1.939 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@]2(C[NH3+])CCCOC2)cc1 ZINC000638109012 451276444 /nfs/dbraw/zinc/27/64/44/451276444.db2.gz QSMMCSOUNVCYHE-SFHVURJKSA-N 2 0 335.448 1.711 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CCN1C(=O)c1cnc(C[NH3+])nc1 ZINC000638112919 451281441 /nfs/dbraw/zinc/28/14/41/451281441.db2.gz XBPUQDDCZPONQN-AWEZNQCLSA-N 2 0 325.416 1.282 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638115010 451283605 /nfs/dbraw/zinc/28/36/05/451283605.db2.gz FGNPIONTZPBZCK-RTBURBONSA-N 2 0 346.519 1.826 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)c2cnc(C[NH3+])nc2)[C@H]1c1cccs1 ZINC000638121694 451292129 /nfs/dbraw/zinc/29/21/29/451292129.db2.gz GOWQAFIMHSUDAD-WBMJQRKESA-N 2 0 345.472 1.810 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC000635847409 451295444 /nfs/dbraw/zinc/29/54/44/451295444.db2.gz XGSXHWGIRFCVBE-KRWDZBQOSA-N 2 0 333.476 1.927 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@]2(C[NH3+])CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000638129260 451300240 /nfs/dbraw/zinc/30/02/40/451300240.db2.gz XZUAVLTZCLBDEK-SUMDDJOVSA-N 2 0 331.460 1.521 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@]2(C[NH3+])CCCOC2)C[N@@H+]1Cc1ccccc1 ZINC000638129259 451300897 /nfs/dbraw/zinc/30/08/97/451300897.db2.gz XZUAVLTZCLBDEK-HHXXYDBFSA-N 2 0 331.460 1.521 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000638137757 451312564 /nfs/dbraw/zinc/31/25/64/451312564.db2.gz NFOSBYKQHSVTGU-UHFFFAOYSA-N 2 0 344.503 1.019 20 0 EDADRP CC(C)CC[C@H]([NH3+])C(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000638137863 451312994 /nfs/dbraw/zinc/31/29/94/451312994.db2.gz PMABRQRMEUADEJ-INIZCTEOSA-N 2 0 333.480 1.213 20 0 EDADRP C[C@@H]1CN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)[C@@H](C)C[NH2+]1 ZINC000638158070 451328566 /nfs/dbraw/zinc/32/85/66/451328566.db2.gz OLKGZMIIDWAKTQ-SJORKVTESA-N 2 0 344.503 1.579 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000638166457 451332465 /nfs/dbraw/zinc/33/24/65/451332465.db2.gz XCEUXJQCTMCHJE-XSLAGTTESA-N 2 0 330.476 1.032 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635928379 451371924 /nfs/dbraw/zinc/37/19/24/451371924.db2.gz FMYOPRZFZZAXOB-ILZDJORESA-N 2 0 345.487 1.591 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000638240689 451376525 /nfs/dbraw/zinc/37/65/25/451376525.db2.gz RIUWZNQQRRXSBK-KFKAGJAMSA-N 2 0 345.487 1.767 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630747830 451382186 /nfs/dbraw/zinc/38/21/86/451382186.db2.gz WXPIMZMERXYRKM-INIZCTEOSA-N 2 0 335.496 1.829 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)[C@H]3C[NH+]4CCN3CCC4)C2)cc1 ZINC000634457075 451346745 /nfs/dbraw/zinc/34/67/45/451346745.db2.gz QPHMHSVZJQVQMH-RTBURBONSA-N 2 0 342.487 1.075 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000640562490 451406826 /nfs/dbraw/zinc/40/68/26/451406826.db2.gz HNYPYXVXSHNXKB-OAHLLOKOSA-N 2 0 337.468 1.622 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638304679 451419224 /nfs/dbraw/zinc/41/92/24/451419224.db2.gz JNWNLXVRHDQOEQ-RDTXWAMCSA-N 2 0 332.448 1.102 20 0 EDADRP COC[C@@]1(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)CCCC[NH2+]1 ZINC000638350605 451451507 /nfs/dbraw/zinc/45/15/07/451451507.db2.gz DJJROCDZCGMJNI-JHGNMZQASA-N 2 0 335.492 1.415 20 0 EDADRP CO[C@]1(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CCOC1 ZINC000638355637 451456860 /nfs/dbraw/zinc/45/68/60/451456860.db2.gz OZWNQSVIBFQZJG-PMACEKPBSA-N 2 0 347.503 1.760 20 0 EDADRP CC[N@H+](CCCNC(=O)[C@@]1(C[NH3+])CCCOC1)C1CCCCC1 ZINC000638383980 451476831 /nfs/dbraw/zinc/47/68/31/451476831.db2.gz QJAUTWMGVHQMAI-GOSISDBHSA-N 2 0 325.497 1.903 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(Cc3ccncc3)CC2)CC1 ZINC000638383829 451476842 /nfs/dbraw/zinc/47/68/42/451476842.db2.gz KAHVEFGKKZFQKT-UHFFFAOYSA-N 2 0 346.519 1.871 20 0 EDADRP CC[N@H+](CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1)C1CCCCC1 ZINC000638384905 451477807 /nfs/dbraw/zinc/47/78/07/451477807.db2.gz DWEVWYKJASISRV-FUHWJXTLSA-N 2 0 325.497 1.914 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCCN(Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC000630937857 451495608 /nfs/dbraw/zinc/49/56/08/451495608.db2.gz CXNBRWWLCCHYSI-DLBZAZTESA-N 2 0 333.480 1.185 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638432997 451511699 /nfs/dbraw/zinc/51/16/99/451511699.db2.gz PKKRWFKBTSUXAW-KVSKMBFKSA-N 2 0 331.460 1.249 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]([NH3+])Cc1c[nH]c3ccccc13)C2 ZINC000634744166 451520202 /nfs/dbraw/zinc/52/02/02/451520202.db2.gz PLMYLKFCTTUJLF-ZYSHUDEJSA-N 2 0 326.444 1.496 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+]CC2(S(=O)(=O)NC(C)(C)C)CC2)C1 ZINC000638409376 451495762 /nfs/dbraw/zinc/49/57/62/451495762.db2.gz KRHLAMOLONATKU-AWEZNQCLSA-N 2 0 331.526 1.558 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](CC)CC2)[C@]12CCCO2 ZINC000638553179 451574085 /nfs/dbraw/zinc/57/40/85/451574085.db2.gz RKIOQYQFDFSDSV-NCXUSEDFSA-N 2 0 339.524 1.576 20 0 EDADRP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)sn1 ZINC000638529391 451561318 /nfs/dbraw/zinc/56/13/18/451561318.db2.gz JQJAQJUAHNAPIS-UHFFFAOYSA-N 2 0 346.504 1.934 20 0 EDADRP [NH3+]Cc1cccc2c1N(C(=O)c1cn([C@H]3CCC[NH2+]C3)nn1)CCC2 ZINC000638543962 451569692 /nfs/dbraw/zinc/56/96/92/451569692.db2.gz QHFWPGIRLBHWEH-HNNXBMFYSA-N 2 0 340.431 1.254 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)CC[C@H]1C(F)(F)F ZINC000638560724 451576726 /nfs/dbraw/zinc/57/67/26/451576726.db2.gz XJXFVXXKQPKLAD-VHDGCEQUSA-N 2 0 341.377 1.859 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)[C@]12CCCO2 ZINC000638618500 451611939 /nfs/dbraw/zinc/61/19/39/451611939.db2.gz IFVOPDPVCOLSOH-BRSBDYLESA-N 2 0 326.481 1.540 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000638618177 451611950 /nfs/dbraw/zinc/61/19/50/451611950.db2.gz LKERQKJBXXVHGT-WBVHZDCISA-N 2 0 335.423 1.142 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000636932706 451616357 /nfs/dbraw/zinc/61/63/57/451616357.db2.gz RPLXADHINHOXCI-OAHLLOKOSA-N 2 0 340.512 1.166 20 0 EDADRP C[NH+](C)C1CCC([NH2+]Cc2ccc(Cl)c(S(N)(=O)=O)c2)CC1 ZINC000631161811 451617973 /nfs/dbraw/zinc/61/79/73/451617973.db2.gz VSLXVEGXIRKIHX-UHFFFAOYSA-N 2 0 345.896 1.950 20 0 EDADRP CC[C@](C)([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836462 451621018 /nfs/dbraw/zinc/62/10/18/451621018.db2.gz FDWRIOPHIRDSGE-QAPCUYQASA-N 2 0 344.463 1.281 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@H]1CCOC1 ZINC000638748400 451674423 /nfs/dbraw/zinc/67/44/23/451674423.db2.gz HYBGLOHKIBPXRG-DZOHQFGASA-N 2 0 326.481 1.395 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)[C@@H]1CCOC1 ZINC000638748402 451674913 /nfs/dbraw/zinc/67/49/13/451674913.db2.gz HYBGLOHKIBPXRG-VDHUWJSZSA-N 2 0 326.481 1.395 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)[C@](C)([NH3+])c1ccc(Br)cc1 ZINC000638768365 451684482 /nfs/dbraw/zinc/68/44/82/451684482.db2.gz XCHIGIPJBRPYEI-MRCXROJRSA-N 2 0 326.238 1.490 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780734 451688482 /nfs/dbraw/zinc/68/84/82/451688482.db2.gz UUNHOYMQFRYNDH-MOPGFXCFSA-N 2 0 343.471 1.318 20 0 EDADRP O=C(N1CCC(CO[C@@H]2CC[NH2+]C2)CC1)C12CCC[NH+](CCC1)C2 ZINC000638793462 451694354 /nfs/dbraw/zinc/69/43/54/451694354.db2.gz YRFVEICVZARAPJ-QGZVFWFLSA-N 2 0 335.492 1.480 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638852688 451711398 /nfs/dbraw/zinc/71/13/98/451711398.db2.gz ZSPFWXSQHGPSAJ-QRVBRYPASA-N 2 0 345.487 1.911 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000638860816 451713890 /nfs/dbraw/zinc/71/38/90/451713890.db2.gz GZNRMBHPAWIXCD-RZQQEMMASA-N 2 0 349.519 1.996 20 0 EDADRP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000638865246 451714251 /nfs/dbraw/zinc/71/42/51/451714251.db2.gz UKTBUQGTODMRFW-LBPRGKRZSA-N 2 0 333.523 1.996 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638737034 451670694 /nfs/dbraw/zinc/67/06/94/451670694.db2.gz CKGIVPMANIGDBC-UHFFFAOYSA-N 2 0 329.391 1.568 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000637117906 451730289 /nfs/dbraw/zinc/73/02/89/451730289.db2.gz DVCMVIWEKGSFHR-SJORKVTESA-N 2 0 338.496 1.149 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cn2)CC1 ZINC000638976626 451744230 /nfs/dbraw/zinc/74/42/30/451744230.db2.gz BHSGXWBPHJYMKX-CYBMUJFWSA-N 2 0 327.379 1.333 20 0 EDADRP CO[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C1CCOCC1 ZINC000638977465 451744725 /nfs/dbraw/zinc/74/47/25/451744725.db2.gz SPEPWIUKCRUBLR-PMACEKPBSA-N 2 0 348.487 1.784 20 0 EDADRP CO[C@H](C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1ccc(F)cc1 ZINC000638985343 451746371 /nfs/dbraw/zinc/74/63/71/451746371.db2.gz DWWVUXKEWFQLQX-KRWDZBQOSA-N 2 0 344.390 1.957 20 0 EDADRP C[C@@H](OC[C@@H]1CCCCO1)C(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988455 451748276 /nfs/dbraw/zinc/74/82/76/451748276.db2.gz YQZPUANTNPVPEZ-ZBFHGGJFSA-N 2 0 348.447 1.404 20 0 EDADRP CC(C)[C@H]1CN(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC[N@@H+]1C ZINC000637263141 451773394 /nfs/dbraw/zinc/77/33/94/451773394.db2.gz FHNPQKYRHHKVDJ-DLBZAZTESA-N 3 0 341.544 1.240 20 0 EDADRP CN(C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000641215651 451785112 /nfs/dbraw/zinc/78/51/12/451785112.db2.gz CPWMXSZYGZRENI-UXLLHSPISA-N 2 0 337.512 1.066 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)CC(F)(F)F)ccn2)CC1 ZINC000644523121 451839209 /nfs/dbraw/zinc/83/92/09/451839209.db2.gz TVNFZYPJOXBQJG-CYBMUJFWSA-N 2 0 332.370 1.236 20 0 EDADRP COCCN1CCN(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)CC1 ZINC000637370507 451802443 /nfs/dbraw/zinc/80/24/43/451802443.db2.gz QJHWXIASSLZHDQ-KRWDZBQOSA-N 2 0 338.496 1.367 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000641997537 451803342 /nfs/dbraw/zinc/80/33/42/451803342.db2.gz LDOTTYXAJDXTFA-HNNXBMFYSA-N 2 0 327.517 1.040 20 0 EDADRP CC[C@@H]1CN(C(=O)C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[C@@H]1[NH3+] ZINC000642548537 451888410 /nfs/dbraw/zinc/88/84/10/451888410.db2.gz PFCJAEKMKIRTOD-QLFBSQMISA-N 2 0 340.512 1.055 20 0 EDADRP C[C@H]1C[N@H+](CCCNC[C@@H](O)C[NH+](C)Cc2ccccc2)CCCO1 ZINC000644632256 451906639 /nfs/dbraw/zinc/90/66/39/451906639.db2.gz HTSUYNSPAFDDHC-AZUAARDMSA-N 2 0 349.519 1.570 20 0 EDADRP C[C@@H](C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)S(C)(=O)=O ZINC000644642232 451912822 /nfs/dbraw/zinc/91/28/22/451912822.db2.gz NCZDMDHMBPZOQW-AWEZNQCLSA-N 2 0 340.489 1.682 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000646894182 451915679 /nfs/dbraw/zinc/91/56/79/451915679.db2.gz NVOHOGVOJRQADC-UHFFFAOYSA-N 2 0 345.487 1.728 20 0 EDADRP O[C@]1(CN2CC[C@@](O)(C(F)(F)F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639515802 451917957 /nfs/dbraw/zinc/91/79/57/451917957.db2.gz YHHUWSSAYNJTNX-CVEARBPZSA-N 2 0 344.377 1.623 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000639553290 451941190 /nfs/dbraw/zinc/94/11/90/451941190.db2.gz BZATYOMPTCNIKL-KRWDZBQOSA-N 2 0 328.497 1.333 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)cc2)C[C@H](C)O1 ZINC000649288309 451962769 /nfs/dbraw/zinc/96/27/69/451962769.db2.gz JTLTVMPAFYGFNX-CJBAZIHXSA-N 2 0 343.471 1.377 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1CN1CCO[C@H](CN2CC[NH+](C)CC2)C1 ZINC000649296303 451973577 /nfs/dbraw/zinc/97/35/77/451973577.db2.gz ZPBCLYFDCDXPHR-RBUKOAKNSA-N 2 0 338.540 1.198 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC[NH2+]1 ZINC000649305095 451982313 /nfs/dbraw/zinc/98/23/13/451982313.db2.gz CVMICXFENDASER-AZUAARDMSA-N 2 0 345.487 1.783 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000649310520 451988164 /nfs/dbraw/zinc/98/81/64/451988164.db2.gz QCZFWSBEAGSGGU-HUUCEWRRSA-N 2 0 334.468 1.197 20 0 EDADRP CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC[NH+](CCc2ccccn2)CC1 ZINC000649312188 451990183 /nfs/dbraw/zinc/99/01/83/451990183.db2.gz ZGLXPVZOENNLRA-PIIMJCKOSA-N 2 0 328.460 1.012 20 0 EDADRP O=C(c1ccc2c(c1)CC[NH2+]CC2)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000649321133 451999270 /nfs/dbraw/zinc/99/92/70/451999270.db2.gz MOUIQGWOWADIMJ-OALUTQOASA-N 2 0 343.471 1.046 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000649334091 452014742 /nfs/dbraw/zinc/01/47/42/452014742.db2.gz IAKCHHCYOCNDAH-KRWDZBQOSA-N 2 0 344.503 1.347 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@](C)([NH3+])c3ccccc3)CC2)C1 ZINC000649352629 452036767 /nfs/dbraw/zinc/03/67/67/452036767.db2.gz AXFOJUBHPBDJIN-MJGOQNOKSA-N 2 0 330.476 1.099 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000649353637 452037319 /nfs/dbraw/zinc/03/73/19/452037319.db2.gz XPBJYWZTFVOBAK-KRWDZBQOSA-N 2 0 346.475 1.774 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N=c1ccn([C@H]2CC[NH2+]C2)[nH]1 ZINC000649356509 452039306 /nfs/dbraw/zinc/03/93/06/452039306.db2.gz SABNZGFEIMLUBC-AWEZNQCLSA-N 2 0 343.431 1.032 20 0 EDADRP CC1(C)C[NH2+][C@H]1C1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000647093028 452055511 /nfs/dbraw/zinc/05/55/11/452055511.db2.gz AKIXKJDZSJCQJS-CJNGLKHVSA-N 2 0 331.464 1.337 20 0 EDADRP [NH3+]CCOCC[NH+]1CCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000649411447 452074404 /nfs/dbraw/zinc/07/44/04/452074404.db2.gz YPOAOORJPNOATN-UHFFFAOYSA-N 2 0 331.382 1.798 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)CC1 ZINC000649414944 452077696 /nfs/dbraw/zinc/07/76/96/452077696.db2.gz AQVIMBNFMXVFIF-SJLPKXTDSA-N 2 0 336.524 1.439 20 0 EDADRP CN(Cc1cnn(C)c1)C(=O)C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000649417786 452079252 /nfs/dbraw/zinc/07/92/52/452079252.db2.gz GZVRWKKOUYCIOE-IRXDYDNUSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1cc(CNC(=O)N[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)cc(C)n1 ZINC000643231566 452084650 /nfs/dbraw/zinc/08/46/50/452084650.db2.gz BQDQZSIRDUDRPB-QGZVFWFLSA-N 3 0 345.491 1.666 20 0 EDADRP Cc1csc2nc(C[N@H+]3CCC4(C3)CC[NH+](C)CC4)cc(=O)n12 ZINC000639756771 452095975 /nfs/dbraw/zinc/09/59/75/452095975.db2.gz COJNIBSKIQILMF-UHFFFAOYSA-N 2 0 332.473 1.982 20 0 EDADRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647182373 452110087 /nfs/dbraw/zinc/11/00/87/452110087.db2.gz YTCZFHPDGZYRTQ-QGZVFWFLSA-N 2 0 329.448 1.594 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647182372 452111049 /nfs/dbraw/zinc/11/10/49/452111049.db2.gz YTCZFHPDGZYRTQ-KRWDZBQOSA-N 2 0 329.448 1.594 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(C(N)=O)CC3)cc2)CO1 ZINC000647218366 452130536 /nfs/dbraw/zinc/13/05/36/452130536.db2.gz JAQRCGIQPPNXMV-KDOFPFPSSA-N 2 0 331.460 1.651 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@H]2C[C@]23CCC[NH2+]C3)c2ccccc2O1 ZINC000655451761 452246035 /nfs/dbraw/zinc/24/60/35/452246035.db2.gz WEOYZSBSERQORR-CLCXKQKWSA-N 2 0 329.444 1.732 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000654104756 452247873 /nfs/dbraw/zinc/24/78/73/452247873.db2.gz VLAKOVXJRRPGIY-HUUCEWRRSA-N 2 0 334.468 1.583 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2nsc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000641795969 452273224 /nfs/dbraw/zinc/27/32/24/452273224.db2.gz CDDZMHUMBIZWFV-AWEZNQCLSA-N 2 0 344.484 1.940 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544222 452275177 /nfs/dbraw/zinc/27/51/77/452275177.db2.gz YIJHCFCPKZZBKY-HZPDHXFCSA-N 2 0 341.455 1.994 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1(C)C ZINC000641814531 452296038 /nfs/dbraw/zinc/29/60/38/452296038.db2.gz MLFHWVLHSRMQBJ-HZPDHXFCSA-N 2 0 338.496 1.100 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCCC2)[C@@H](C)C1 ZINC000659456662 452307207 /nfs/dbraw/zinc/30/72/07/452307207.db2.gz QCFJYSXSKSUTNC-HOTGVXAUSA-N 2 0 340.512 1.694 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1OCC[C@@H]1[NH3+])c1ccccc1Cl ZINC000638050725 452324448 /nfs/dbraw/zinc/32/44/48/452324448.db2.gz RFTIKXIWMDXDRB-ARFHVFGLSA-N 2 0 339.867 1.955 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000661515323 452324622 /nfs/dbraw/zinc/32/46/22/452324622.db2.gz RBMRLDBLEOTHEE-CVEARBPZSA-N 2 0 338.496 1.412 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)C[C@@H]1C ZINC000665760743 452332870 /nfs/dbraw/zinc/33/28/70/452332870.db2.gz OKDVLGRTJYCHMJ-ULQDDVLXSA-N 2 0 341.544 1.383 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652145481 452338654 /nfs/dbraw/zinc/33/86/54/452338654.db2.gz PLZIWZCIJLETGP-UHFFFAOYSA-N 2 0 326.485 1.176 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)cc1 ZINC000638056447 452340794 /nfs/dbraw/zinc/34/07/94/452340794.db2.gz YYICYWBWGHGIGB-HKUYNNGSSA-N 2 0 333.476 1.912 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC[N@@H+]1C ZINC000652159101 452352894 /nfs/dbraw/zinc/35/28/94/452352894.db2.gz RMHXZPKUJKGYFL-JJTUDDRGSA-N 2 0 338.496 1.397 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000652167226 452360786 /nfs/dbraw/zinc/36/07/86/452360786.db2.gz OCADAYFBRFVNDK-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC[C@@H](C(C)C)[NH+]2CCC(C)CC2)C1 ZINC000638064246 452363220 /nfs/dbraw/zinc/36/32/20/452363220.db2.gz KPMVRDLMPSNFFU-BQFCYCMXSA-N 2 0 325.497 1.626 20 0 EDADRP CC[C@H](CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000638067915 452370278 /nfs/dbraw/zinc/37/02/78/452370278.db2.gz GUVYJPMZCHSDQO-HBFSDRIKSA-N 2 0 345.487 1.707 20 0 EDADRP CC[NH2+]CCCNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659505421 452371709 /nfs/dbraw/zinc/37/17/09/452371709.db2.gz MZKQDFIKKHNASM-KRWDZBQOSA-N 2 0 334.464 1.052 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCC2CC[NH2+]CC2)cc1 ZINC000659507559 452373169 /nfs/dbraw/zinc/37/31/69/452373169.db2.gz KDCIMOSMWTXLPA-ROUUACIJSA-N 2 0 346.475 1.440 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000659509560 452374189 /nfs/dbraw/zinc/37/41/89/452374189.db2.gz HDJQUFJSPXIALL-DZOHQFGASA-N 2 0 330.476 1.819 20 0 EDADRP C[C@@]1(C(=O)NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[NH2+]CCO1 ZINC000638079431 452396574 /nfs/dbraw/zinc/39/65/74/452396574.db2.gz DUXJWOPXFNAREK-HKUYNNGSSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000659536658 452396572 /nfs/dbraw/zinc/39/65/72/452396572.db2.gz ISETVADXQFUWPX-QAPCUYQASA-N 2 0 345.491 1.591 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC/C=C/C[NH3+])cc1F ZINC000659543067 452401545 /nfs/dbraw/zinc/40/15/45/452401545.db2.gz FLJAPFXKEKGUQE-MQGHRYHHSA-N 2 0 336.411 1.094 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000659553189 452409058 /nfs/dbraw/zinc/40/90/58/452409058.db2.gz HOZIIYXBKACNCE-KKBVYLPWSA-N 2 0 334.439 1.698 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000645452126 452419696 /nfs/dbraw/zinc/41/96/96/452419696.db2.gz HDQNYJYZOVYFOK-HKUYNNGSSA-N 2 0 344.503 1.309 20 0 EDADRP C[C@@]1(C[NH3+])CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659566830 452420556 /nfs/dbraw/zinc/42/05/56/452420556.db2.gz OKGLWYSVNABNJS-IBGZPJMESA-N 2 0 345.491 1.674 20 0 EDADRP [NH3+]C1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC1 ZINC000659566567 452422182 /nfs/dbraw/zinc/42/21/82/452422182.db2.gz LVNVQAWQHQATTP-UHFFFAOYSA-N 2 0 331.464 1.426 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000663693508 452431592 /nfs/dbraw/zinc/43/15/92/452431592.db2.gz OZXOXEDXUNGVTI-RDJZCZTQSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589627 452446258 /nfs/dbraw/zinc/44/62/58/452446258.db2.gz VNUNVRHEZNCMDE-BRWVUGGUSA-N 2 0 336.455 1.944 20 0 EDADRP C[C@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000659589444 452446467 /nfs/dbraw/zinc/44/64/67/452446467.db2.gz QNSHQSOOEYUPMJ-OXXUSNJHSA-N 2 0 348.466 1.898 20 0 EDADRP O=C(NCC12CC(C1)C[NH2+]2)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659589448 452446637 /nfs/dbraw/zinc/44/66/37/452446637.db2.gz QQCCFJYRDOFEOE-WVLMQXSCSA-N 2 0 332.423 1.322 20 0 EDADRP C[C@@H]1CCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000659589442 452446975 /nfs/dbraw/zinc/44/69/75/452446975.db2.gz QNSHQSOOEYUPMJ-AETAKHFUSA-N 2 0 348.466 1.898 20 0 EDADRP [NH3+]C[C@]12CCC[C@H]1CN(C(=O)NC1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000659608849 452465806 /nfs/dbraw/zinc/46/58/06/452465806.db2.gz RJBDDTHKSGZPNX-ZVZYQTTQSA-N 2 0 336.480 1.010 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000652286923 452470035 /nfs/dbraw/zinc/47/00/35/452470035.db2.gz JFTKFDGICPYQDB-GOSISDBHSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NCCC2CC[NH2+]CC2)CC1 ZINC000652314877 452489025 /nfs/dbraw/zinc/48/90/25/452489025.db2.gz JHGSLODSNIUQRF-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000652320589 452495718 /nfs/dbraw/zinc/49/57/18/452495718.db2.gz GEEGPHXIUIDMEP-KRWDZBQOSA-N 2 0 338.496 1.130 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)C[NH2+]C ZINC000659646703 452508247 /nfs/dbraw/zinc/50/82/47/452508247.db2.gz PRUDLBLADIEFNS-DOTOQJQBSA-N 2 0 333.480 1.685 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652345473 452519303 /nfs/dbraw/zinc/51/93/03/452519303.db2.gz CKMALHVSCJAZFT-FHWLQOOXSA-N 2 0 345.487 1.863 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346647 452522554 /nfs/dbraw/zinc/52/25/54/452522554.db2.gz CQFQPHIFPSFBOJ-OWSLCNJRSA-N 2 0 337.508 1.996 20 0 EDADRP c1ccc(-c2ccc(NCC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)nn2)cc1 ZINC000647788065 452523202 /nfs/dbraw/zinc/52/32/02/452523202.db2.gz BUHFOXIGSWGBPB-RCCFBDPRSA-N 2 0 337.471 2.533 20 0 EDADRP CS(=O)(=O)CC1(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)CC1 ZINC000652350084 452525215 /nfs/dbraw/zinc/52/52/15/452525215.db2.gz FIUHTNMUZJNDEA-KKUMJFAQSA-N 2 0 330.494 1.030 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)C[N@@H+]1Cc1ccccc1 ZINC000655921281 452684431 /nfs/dbraw/zinc/68/44/31/452684431.db2.gz NEIPATVCWVQPAG-XBFCOCLRSA-N 2 0 344.381 1.838 20 0 EDADRP COCC1([NH2+]CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CCOCC1 ZINC000647952058 452694291 /nfs/dbraw/zinc/69/42/91/452694291.db2.gz KOHSYFWBVOQJPY-KRWDZBQOSA-N 2 0 349.475 1.191 20 0 EDADRP O=C(CCN1CC[NH2+]C[C@H]1c1ccccc1Cl)N1CC[NH2+]CC1 ZINC000647953300 452697837 /nfs/dbraw/zinc/69/78/37/452697837.db2.gz FNKFNVCQCYEIKB-INIZCTEOSA-N 2 0 336.867 1.108 20 0 EDADRP CNC(=O)c1ccn([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000647991518 452733954 /nfs/dbraw/zinc/73/39/54/452733954.db2.gz FDOIMMOENUSKBV-MRXNPFEDSA-N 2 0 333.480 1.659 20 0 EDADRP CO[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)[C@@H]1CCOC1 ZINC000659860859 452742653 /nfs/dbraw/zinc/74/26/53/452742653.db2.gz HGHULAJOGXOJLN-MSOLQXFVSA-N 2 0 326.481 1.472 20 0 EDADRP C[C@H](CNC(=O)NC[C@@]1(C)CCC[NH2+]C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000655964928 452745971 /nfs/dbraw/zinc/74/59/71/452745971.db2.gz JFXZJIZZEJPBSC-AIANPOQGSA-N 2 0 326.485 1.173 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)Nc1cnc2c(c1)C[C@@H]([NH3+])CC2 ZINC000652611045 452769544 /nfs/dbraw/zinc/76/95/44/452769544.db2.gz VMZNLBAJOZTDDX-HNNXBMFYSA-N 2 0 331.464 1.847 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000652644581 452801880 /nfs/dbraw/zinc/80/18/80/452801880.db2.gz BSMDJOSTXGVQQX-UHFFFAOYSA-N 2 0 330.432 1.173 20 0 EDADRP c1ncc(C[N@@H+]2CCC3(COC3)C2)cc1C[NH+]1CCC2(COC2)C1 ZINC000662072747 452817774 /nfs/dbraw/zinc/81/77/74/452817774.db2.gz IUOKYNKMQWYLLE-UHFFFAOYSA-N 2 0 329.444 1.526 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000648106705 452826210 /nfs/dbraw/zinc/82/62/10/452826210.db2.gz OTQAQWVGXLDREA-DDUZABMNSA-N 2 0 330.432 1.198 20 0 EDADRP Cn1ccnc1CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC12CC[NH2+]CC2 ZINC000648118359 452834970 /nfs/dbraw/zinc/83/49/70/452834970.db2.gz ORSDYRBJYDOQIV-AWEZNQCLSA-N 2 0 333.480 1.408 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648122835 452839032 /nfs/dbraw/zinc/83/90/32/452839032.db2.gz YMXNCFNAUUMZRY-GFEQUFNTSA-N 2 0 327.472 1.651 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)NC[C@@H]3CC[NH+]3Cc3ccccc3)C2)C1 ZINC000662140544 452876171 /nfs/dbraw/zinc/87/61/71/452876171.db2.gz INMHNJPWIJVLSO-ICSRJNTNSA-N 2 0 342.487 1.998 20 0 EDADRP CN(C)C(=O)c1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)[nH]1 ZINC000650723829 452952971 /nfs/dbraw/zinc/95/29/71/452952971.db2.gz URYHRUIAMCXLEJ-XKQJLSEDSA-N 2 0 334.464 1.577 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000646002970 452999179 /nfs/dbraw/zinc/99/91/79/452999179.db2.gz LTMAIGYIMHHTMI-AEFFLSMTSA-N 2 0 330.476 1.233 20 0 EDADRP Cc1ccc(-c2noc(CCC[NH2+]C3(CO)CC[NH2+]CC3)n2)cc1F ZINC000662285658 453010009 /nfs/dbraw/zinc/01/00/09/453010009.db2.gz LNABDYHEZOEPSX-UHFFFAOYSA-N 2 0 348.422 1.821 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)[C@H](C)[NH+]3CC(C)C3)CC2)CC1 ZINC000654930269 453045142 /nfs/dbraw/zinc/04/51/42/453045142.db2.gz DLMUWPNHHXCNSO-KRWDZBQOSA-N 2 0 336.524 1.344 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000666664217 453050756 /nfs/dbraw/zinc/05/07/56/453050756.db2.gz BIOJJMGHKYROEJ-INIZCTEOSA-N 2 0 340.512 1.613 20 0 EDADRP c1c([C@H]2CCC[N@@H+](CC[C@H]3CCCO3)C2)[nH]nc1N1CC[NH2+]CC1 ZINC000662338260 453056008 /nfs/dbraw/zinc/05/60/08/453056008.db2.gz PLTYTXFJSIUOKZ-JKSUJKDBSA-N 2 0 333.480 1.568 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000654956257 453069525 /nfs/dbraw/zinc/06/95/25/453069525.db2.gz AKOQNSNNMKGASV-MSOLQXFVSA-N 2 0 335.492 1.309 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000662379612 453087132 /nfs/dbraw/zinc/08/71/32/453087132.db2.gz GCLFEOBAOKBZCE-MPGHIAIKSA-N 2 0 333.476 1.910 20 0 EDADRP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CCO1 ZINC000648446128 453090807 /nfs/dbraw/zinc/09/08/07/453090807.db2.gz AOKJSKFRBVRKEL-ZWKOTPCHSA-N 2 0 347.507 1.926 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000644195573 453123627 /nfs/dbraw/zinc/12/36/27/453123627.db2.gz JWEHSZKABXMFCZ-OAHLLOKOSA-N 2 0 332.448 1.383 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662424389 453133162 /nfs/dbraw/zinc/13/31/62/453133162.db2.gz VIVJBALTZSBSEE-OAHLLOKOSA-N 2 0 345.491 1.871 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1C[N@@H+]2CCN1CCC2)c1ccccc1 ZINC000646121920 453136698 /nfs/dbraw/zinc/13/66/98/453136698.db2.gz YVODURIATVXGEN-RBUKOAKNSA-N 2 0 344.503 1.576 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000646139499 453148865 /nfs/dbraw/zinc/14/88/65/453148865.db2.gz WDVBYNVFHARXGT-HZPDHXFCSA-N 2 0 339.867 1.828 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CC[NH+]2C(C)(C)C)C[C@H](C)O1 ZINC000660300009 453189171 /nfs/dbraw/zinc/18/91/71/453189171.db2.gz KMRFTMLTVUZTGM-XHSDSOJGSA-N 2 0 340.512 1.658 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCc3ccc(C[NH3+])cc3)C2)CC1 ZINC000646188809 453202392 /nfs/dbraw/zinc/20/23/92/453202392.db2.gz MJXZUPBNPCDXGI-KRWDZBQOSA-N 2 0 345.491 1.113 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662487778 453204154 /nfs/dbraw/zinc/20/41/54/453204154.db2.gz DXTIASIXYPBTFJ-UHFFFAOYSA-N 2 0 331.460 1.909 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)c2c[nH]nc2[C@H]2CC[NH2+]C2)CC1 ZINC000662493038 453210053 /nfs/dbraw/zinc/21/00/53/453210053.db2.gz XBWDEAMOYQLQLL-INIZCTEOSA-N 2 0 347.507 1.975 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC[C@@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000648804069 453288917 /nfs/dbraw/zinc/28/89/17/453288917.db2.gz RNXDNKDBCYEISG-SUMDDJOVSA-N 2 0 331.460 1.080 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666973711 453290266 /nfs/dbraw/zinc/29/02/66/453290266.db2.gz YTABWIVNFFZXHE-SJORKVTESA-N 2 0 338.496 1.412 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000653108640 453291354 /nfs/dbraw/zinc/29/13/54/453291354.db2.gz CJLKBDLKIGYNAE-APWZRJJASA-N 2 0 346.519 1.956 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)CC[N@@H+]1C ZINC000666974714 453291975 /nfs/dbraw/zinc/29/19/75/453291975.db2.gz XJWXTRHXXGZTBP-OIISXLGYSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000653108654 453291924 /nfs/dbraw/zinc/29/19/24/453291924.db2.gz CSNRMHKHGPZMGY-LPHOPBHVSA-N 2 0 346.519 1.814 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)cc1 ZINC000653108763 453294326 /nfs/dbraw/zinc/29/43/26/453294326.db2.gz HAVISNVIMLDMIR-QZTJIDSGSA-N 2 0 331.460 1.774 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000666976638 453294578 /nfs/dbraw/zinc/29/45/78/453294578.db2.gz MGWMIPFVHXOLOY-INIZCTEOSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000653116649 453304477 /nfs/dbraw/zinc/30/44/77/453304477.db2.gz NZXNXKCAFQJKHI-QGZVFWFLSA-N 2 0 333.476 1.675 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000653117421 453305242 /nfs/dbraw/zinc/30/52/42/453305242.db2.gz LJPWLFGQNWTWLC-KRWDZBQOSA-N 2 0 332.492 1.388 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653121465 453313446 /nfs/dbraw/zinc/31/34/46/453313446.db2.gz WANYHWRRQZGAPS-BPQIPLTHSA-N 2 0 332.492 1.292 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000651192379 453341252 /nfs/dbraw/zinc/34/12/52/453341252.db2.gz LHNUKDOVALUJPJ-IRXDYDNUSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000651192378 453341570 /nfs/dbraw/zinc/34/15/70/453341570.db2.gz LHNUKDOVALUJPJ-IAGOWNOFSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)C[C@@H]1C ZINC000651197108 453350835 /nfs/dbraw/zinc/35/08/35/453350835.db2.gz WEHMOVZGTHRRIT-CVEARBPZSA-N 2 0 328.501 1.061 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)C1 ZINC000655246303 453370292 /nfs/dbraw/zinc/37/02/92/453370292.db2.gz HABVIOWXLWCMKX-KURKYZTESA-N 2 0 330.476 1.750 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H](CC(C)C)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000646419754 453378887 /nfs/dbraw/zinc/37/88/87/453378887.db2.gz OKRYDDFESULEGH-CVEARBPZSA-N 2 0 340.512 1.022 20 0 EDADRP O=C1C[C@H](C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CN1 ZINC000660536291 453382141 /nfs/dbraw/zinc/38/21/41/453382141.db2.gz GAJXUFKWIZTFRS-OALUTQOASA-N 2 0 342.487 1.015 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662676647 453395717 /nfs/dbraw/zinc/39/57/17/453395717.db2.gz HJTYYCXVCBKWFA-SJLPKXTDSA-N 2 0 349.475 1.387 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667099611 453404563 /nfs/dbraw/zinc/40/45/63/453404563.db2.gz HVIZHXDMPOVLIM-UHFFFAOYSA-N 2 0 334.464 1.664 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662691781 453412329 /nfs/dbraw/zinc/41/23/29/453412329.db2.gz ITJDADOCLGSGBG-LSDHHAIUSA-N 2 0 334.468 1.053 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])cc1Cl ZINC000662693692 453413669 /nfs/dbraw/zinc/41/36/69/453413669.db2.gz LJQNYKPTFAEFGU-WFASDCNBSA-N 2 0 341.839 1.583 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000662709900 453434651 /nfs/dbraw/zinc/43/46/51/453434651.db2.gz UQSKPSLJNZYJSX-QUCCMNQESA-N 2 0 343.471 1.287 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000662711931 453435374 /nfs/dbraw/zinc/43/53/74/453435374.db2.gz CVOGVBXFWGPDHU-ROUUACIJSA-N 2 0 345.487 1.769 20 0 EDADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)[NH+](CC)CC ZINC000653260794 453443469 /nfs/dbraw/zinc/44/34/69/453443469.db2.gz LGMBAEGIYQZWAR-QBPKDAKJSA-N 2 0 325.497 1.994 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662744941 453473327 /nfs/dbraw/zinc/47/33/27/453473327.db2.gz AWHVJBITEDDVCS-HOTGVXAUSA-N 2 0 348.495 1.397 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)c2cc(C(C)(C)[NH3+])no2)C1 ZINC000662747749 453475995 /nfs/dbraw/zinc/47/59/95/453475995.db2.gz AHPBISVNTBQBCN-ZDUSSCGKSA-N 2 0 338.452 1.441 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000660634710 453476720 /nfs/dbraw/zinc/47/67/20/453476720.db2.gz SYTAZEULOVYNLS-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CC1 ZINC000662765291 453503535 /nfs/dbraw/zinc/50/35/35/453503535.db2.gz XYQWASYNAWEOTB-OAHLLOKOSA-N 2 0 334.468 1.054 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cn[nH]c1[C@@H]1CC[NH2+]C1 ZINC000662776786 453512145 /nfs/dbraw/zinc/51/21/45/453512145.db2.gz NZGCZCBRJYIFEQ-LLVKDONJSA-N 2 0 329.379 1.524 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@@H]2CCCC[NH2+]2)c1 ZINC000667264498 453524099 /nfs/dbraw/zinc/52/40/99/453524099.db2.gz OLBLYFWWKQJURE-KRWDZBQOSA-N 2 0 346.475 1.725 20 0 EDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662789241 453524502 /nfs/dbraw/zinc/52/45/02/453524502.db2.gz VJABIGPGEAYMJV-LSDHHAIUSA-N 2 0 334.468 1.149 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000660702514 453525496 /nfs/dbraw/zinc/52/54/96/453525496.db2.gz JVPZEOYLWQAYDT-GOSISDBHSA-N 2 0 334.508 1.892 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662826033 453553305 /nfs/dbraw/zinc/55/33/05/453553305.db2.gz QWZUTXBAUYGKMX-NJAFHUGGSA-N 2 0 337.508 1.853 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCN(C(=O)[C@]3(C(F)(F)F)CC[NH2+]C3)C2)C1 ZINC000662828182 453554314 /nfs/dbraw/zinc/55/43/14/453554314.db2.gz UKENADKZWDTHDU-CXTNEJHOSA-N 2 0 349.397 1.273 20 0 EDADRP C[C@@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@H]1[NH3+] ZINC000658972549 453556864 /nfs/dbraw/zinc/55/68/64/453556864.db2.gz HATRGCNLIVEKHV-QAPCUYQASA-N 2 0 330.476 1.243 20 0 EDADRP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662858848 453573614 /nfs/dbraw/zinc/57/36/14/453573614.db2.gz IUYMIIFZECPMEZ-BJLQDIEVSA-N 2 0 345.487 1.777 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)C[C@H]2CCC[NH2+]2)cc1F ZINC000662870111 453581632 /nfs/dbraw/zinc/58/16/32/453581632.db2.gz YILJVIXCOSCMMD-YCPHGPKFSA-N 2 0 335.423 1.538 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000662873291 453582716 /nfs/dbraw/zinc/58/27/16/453582716.db2.gz WCABDCBNTUNRRK-KZNAEPCWSA-N 2 0 331.460 1.126 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CCCCC2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000662878352 453584942 /nfs/dbraw/zinc/58/49/42/453584942.db2.gz REQUVQDOAXWZMP-INIZCTEOSA-N 2 0 345.491 1.485 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000660821264 453586636 /nfs/dbraw/zinc/58/66/36/453586636.db2.gz BYJHFDZUZWASQJ-GDBMZVCRSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CCSC1 ZINC000660826186 453589414 /nfs/dbraw/zinc/58/94/14/453589414.db2.gz NRSYSIKRIWAEPE-CZUORRHYSA-N 2 0 328.526 1.596 20 0 EDADRP C[NH+](C)CCOCCNC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659039045 453593216 /nfs/dbraw/zinc/59/32/16/453593216.db2.gz YWEMLHVHSNLGAA-INIZCTEOSA-N 2 0 336.436 1.047 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC(C)(C)c1cccnc1 ZINC000665156112 453594905 /nfs/dbraw/zinc/59/49/05/453594905.db2.gz ZJVWPRGETJCXTO-UHFFFAOYSA-N 2 0 335.496 1.542 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NC1CCC([NH+](C)C)CC1 ZINC000665173874 453600416 /nfs/dbraw/zinc/60/04/16/453600416.db2.gz XUAZBPQVPIESSR-GTPINHCMSA-N 3 0 341.544 1.430 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1CCC([NH+]2CC[C@@H](O)C2)CC1 ZINC000665217627 453610761 /nfs/dbraw/zinc/61/07/61/453610761.db2.gz PISGHKOYNXHMQD-QGZVFWFLSA-N 2 0 340.512 1.205 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240922 453620656 /nfs/dbraw/zinc/62/06/56/453620656.db2.gz VZHTUVJRTFFQEU-LPHOPBHVSA-N 2 0 332.492 1.650 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC2CC[NH+](CC3CC3)CC2)C1(C)C ZINC000662973261 453631501 /nfs/dbraw/zinc/63/15/01/453631501.db2.gz XNELQNYXSHLFBL-LPHOPBHVSA-N 2 0 337.508 1.757 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)C1(C)C ZINC000665287743 453637325 /nfs/dbraw/zinc/63/73/25/453637325.db2.gz SUHKJYHLUFIPAI-JKSUJKDBSA-N 2 0 325.497 1.770 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](CC2CC2)C1)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000663002687 453643603 /nfs/dbraw/zinc/64/36/03/453643603.db2.gz HFBFNJQZUFXJJX-CVEARBPZSA-N 2 0 346.479 1.054 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](CC2CC2)C1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000663004080 453644481 /nfs/dbraw/zinc/64/44/81/453644481.db2.gz PBEPIAMRIQRSCD-WMZOPIPTSA-N 2 0 345.491 1.659 20 0 EDADRP CC(C)[NH2+]CC(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000659281547 453698691 /nfs/dbraw/zinc/69/86/91/453698691.db2.gz QVGLWNKXTBZHCF-UHFFFAOYSA-N 2 0 332.448 1.449 20 0 EDADRP CO[C@@H]1CCC[C@H]([C@@H](CO)[NH2+]CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000661216424 453762517 /nfs/dbraw/zinc/76/25/17/453762517.db2.gz RKYCCIPYWSXJJS-IPMKNSEASA-N 2 0 341.540 1.558 20 0 EDADRP Cn1nc(C(F)(F)F)cc1C[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000657356805 453774347 /nfs/dbraw/zinc/77/43/47/453774347.db2.gz RVVHLHOUEJTPPT-LBPRGKRZSA-N 2 0 334.386 1.765 20 0 EDADRP CC[NH+](CC)CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000663402147 453790233 /nfs/dbraw/zinc/79/02/33/453790233.db2.gz IEMHXOAYCHWVBL-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH+](C)CCOCC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000234263344 486651877 /nfs/dbraw/zinc/65/18/77/486651877.db2.gz UFDNMXGAGJCSQG-HUUCEWRRSA-N 2 0 329.485 1.990 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)[C@H]1CCSC1 ZINC000614437949 486654443 /nfs/dbraw/zinc/65/44/43/486654443.db2.gz LAUNFYLPOWYFAL-HOTGVXAUSA-N 2 0 341.521 1.137 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[NH+](C)C)c1ccccc1NC(=O)[C@H](C)[NH+](C)C ZINC000680000470 486692406 /nfs/dbraw/zinc/69/24/06/486692406.db2.gz JNRXVCBJAPNXRJ-RDBSUJKOSA-N 2 0 334.464 1.703 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccccc2-n2cncn2)CCCO1 ZINC000683343866 486693214 /nfs/dbraw/zinc/69/32/14/486693214.db2.gz AHEFDANQURPJOY-INIZCTEOSA-N 2 0 329.448 1.858 20 0 EDADRP Brc1cc(C[NH2+]CCN2CC[NH2+]CC2)cc2c1OCO2 ZINC000414858907 486732664 /nfs/dbraw/zinc/73/26/64/486732664.db2.gz AAIYLBAEQRDNPC-UHFFFAOYSA-N 2 0 342.237 1.173 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C)C2CC[NH+](C)CC2)CC[N@@H+]1C[C@H](C)O ZINC000680282243 486738474 /nfs/dbraw/zinc/73/84/74/486738474.db2.gz RGJMMWNAADLTMN-YQQAZPJKSA-N 2 0 340.512 1.203 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1c(C)cnn1C ZINC000667436577 486781440 /nfs/dbraw/zinc/78/14/40/486781440.db2.gz JCRWUAYBLHVCHN-OAHLLOKOSA-N 2 0 336.484 1.608 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000680467578 486783796 /nfs/dbraw/zinc/78/37/96/486783796.db2.gz QMLINZLNAXWHMZ-AWEZNQCLSA-N 2 0 336.484 1.639 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672757478 486792212 /nfs/dbraw/zinc/79/22/12/486792212.db2.gz BGPWAUWXHNDQEO-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccn(C)c(=O)c3)CC2)CC1 ZINC000676709641 486849228 /nfs/dbraw/zinc/84/92/28/486849228.db2.gz PNGHJPAEOXHYNT-UHFFFAOYSA-N 2 0 332.492 1.376 20 0 EDADRP CCS(=O)(=O)NCCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000677058281 486967306 /nfs/dbraw/zinc/96/73/06/486967306.db2.gz VRYAOAMGGKQCLN-UHFFFAOYSA-N 2 0 345.553 1.904 20 0 EDADRP CC(=O)N1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684420074 487055205 /nfs/dbraw/zinc/05/52/05/487055205.db2.gz HZXDENYUFNSQHX-GOSISDBHSA-N 2 0 333.476 1.975 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000681975988 487269788 /nfs/dbraw/zinc/26/97/88/487269788.db2.gz APRUYQCKMIXZGL-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000675191992 487387416 /nfs/dbraw/zinc/38/74/16/487387416.db2.gz SLRKJHRMKKXAAJ-IRXDYDNUSA-N 2 0 339.528 1.044 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)N[C@H](C)C2CC[NH+](C)CC2)CC1 ZINC000675536358 487419664 /nfs/dbraw/zinc/41/96/64/487419664.db2.gz GKXSPMYOPRJMOF-OAHLLOKOSA-N 2 0 340.512 1.251 20 0 EDADRP CN(C)C(=O)NCC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679391364 487421216 /nfs/dbraw/zinc/42/12/16/487421216.db2.gz UVPANXLZBCCUOE-UHFFFAOYSA-N 2 0 348.491 1.864 20 0 EDADRP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCN(C)S(C)(=O)=O)CC1 ZINC000675746697 487440949 /nfs/dbraw/zinc/44/09/49/487440949.db2.gz MQQFSBURIVHISQ-WBVHZDCISA-N 2 0 345.553 1.901 20 0 EDADRP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCN(C)S(C)(=O)=O)CC1 ZINC000675746695 487441054 /nfs/dbraw/zinc/44/10/54/487441054.db2.gz MQQFSBURIVHISQ-NVXWUHKLSA-N 2 0 345.553 1.901 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000683136668 487453316 /nfs/dbraw/zinc/45/33/16/487453316.db2.gz BAMUGJWRLSLRDT-ICSRJNTNSA-N 2 0 345.487 1.422 20 0 EDADRP O=C(N1CCC[C@]2(CC[NH2+]C2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669518701 485483158 /nfs/dbraw/zinc/48/31/58/485483158.db2.gz SVYHAVXAUODLCD-LJQANCHMSA-N 2 0 327.472 1.910 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)C1(c2ccccc2)CC[NH2+]CC1)C(F)(F)F ZINC000669520759 485487770 /nfs/dbraw/zinc/48/77/70/485487770.db2.gz LDPAKMAOWYKBET-CYBMUJFWSA-N 2 0 329.366 1.704 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)NC/C=C\C[NH3+] ZINC000669533116 485509754 /nfs/dbraw/zinc/50/97/54/485509754.db2.gz QOOWLHXANYDZAE-JTUDCUDASA-N 2 0 330.476 1.957 20 0 EDADRP O=C(NCC1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669550977 485545262 /nfs/dbraw/zinc/54/52/62/485545262.db2.gz ZHYXQEZTMOPRED-AEFFLSMTSA-N 2 0 343.475 1.691 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCC[N@@H+]2CCCO[C@@H](C)C2)CC[C@H]1[NH3+] ZINC000669570885 485591965 /nfs/dbraw/zinc/59/19/65/485591965.db2.gz HVRLZPSLAGOGPP-ARFHVFGLSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669573793 485605655 /nfs/dbraw/zinc/60/56/55/485605655.db2.gz YIOOVHDDAXQMTN-JQHSSLGASA-N 2 0 346.475 1.266 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669587595 485640284 /nfs/dbraw/zinc/64/02/84/485640284.db2.gz GCJGWVYEABBIFY-INIZCTEOSA-N 2 0 349.479 1.353 20 0 EDADRP CC[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC[C@@H]1[NH3+] ZINC000669132477 485721304 /nfs/dbraw/zinc/72/13/04/485721304.db2.gz IGOOQJIPFMQJIQ-AEFFLSMTSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@@H]2CCC[NH2+]CC2)c1 ZINC000669139245 485729991 /nfs/dbraw/zinc/72/99/91/485729991.db2.gz YHZVMJVCNKMFPA-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000668541059 485869152 /nfs/dbraw/zinc/86/91/52/485869152.db2.gz IOQKLSPXJRBWPN-WMLDXEAASA-N 2 0 325.416 1.676 20 0 EDADRP NC(=O)C1CC[NH+](Cc2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)CC1 ZINC000584523907 485869864 /nfs/dbraw/zinc/86/98/64/485869864.db2.gz KCIUSGLNTBGWIL-FUHWJXTLSA-N 2 0 330.476 1.923 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+]1CCC(C)CC1 ZINC000669283196 485923984 /nfs/dbraw/zinc/92/39/84/485923984.db2.gz ISWMQVXPKWSEMW-GVDBMIGSSA-N 2 0 340.512 1.501 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236996440 485949505 /nfs/dbraw/zinc/94/95/05/485949505.db2.gz KMEBURLFPIRYHS-QGZVFWFLSA-N 2 0 330.476 1.700 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC000344764446 485951518 /nfs/dbraw/zinc/95/15/18/485951518.db2.gz JICAAGIQNWFBMX-OTWHNJEPSA-N 2 0 349.519 1.820 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NC2CC([NH+]3CCCCC3)C2)CC1 ZINC000346712413 486000957 /nfs/dbraw/zinc/00/09/57/486000957.db2.gz MWGAIPBPRMXSDJ-GMNCBBECSA-N 2 0 349.519 1.866 20 0 EDADRP Cc1nnc(CC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000668666366 486016600 /nfs/dbraw/zinc/01/66/00/486016600.db2.gz GRWJHPAWSYXLNJ-UHFFFAOYSA-N 2 0 327.498 1.121 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000668666525 486017283 /nfs/dbraw/zinc/01/72/83/486017283.db2.gz IYUWILWYXDXYBR-HZPDHXFCSA-N 2 0 335.496 1.256 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000669388172 486023268 /nfs/dbraw/zinc/02/32/68/486023268.db2.gz RXSLMPDCMVPEMX-BBWFWOEESA-N 2 0 334.508 1.892 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000349055993 486042388 /nfs/dbraw/zinc/04/23/88/486042388.db2.gz KCEYPELRZMXXRC-QZTJIDSGSA-N 2 0 348.466 1.025 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000629173685 486114524 /nfs/dbraw/zinc/11/45/24/486114524.db2.gz SMTJGESHFIWFHL-MSOLQXFVSA-N 2 0 331.460 1.224 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000450547072 486168222 /nfs/dbraw/zinc/16/82/22/486168222.db2.gz MDNLROVZFXQZPA-VQIMIIECSA-N 2 0 347.503 1.541 20 0 EDADRP C[C@H](NC(=O)NC/C=C\C[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000669443373 486200669 /nfs/dbraw/zinc/20/06/69/486200669.db2.gz PSGPPKPQCXSGIH-NQHOJNORSA-N 2 0 349.454 1.453 20 0 EDADRP [NH3+]C/C=C/CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000669477785 486237742 /nfs/dbraw/zinc/23/77/42/486237742.db2.gz UUAKJICYVOBQCZ-SNAWJCMRSA-N 2 0 326.510 1.552 20 0 EDADRP O=C(N[C@@H](C[NH+]1CCCCC1)c1ccccc1)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000669483833 486249199 /nfs/dbraw/zinc/24/91/99/486249199.db2.gz OTUBPTFNDNQAQB-XWTMOSNGSA-N 2 0 328.460 1.731 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167700952 486482230 /nfs/dbraw/zinc/48/22/30/486482230.db2.gz CJKRSJNQUGQSRC-HXUWFJFHSA-N 2 0 344.503 1.262 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)CN2C[C@@H](C[NH3+])[C@H](C)C2)c1 ZINC000631843017 486562109 /nfs/dbraw/zinc/56/21/09/486562109.db2.gz ILLZOFMQPGIBTG-HZSPNIEDSA-N 2 0 335.448 1.408 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CC[NH+](C)CC1 ZINC000090038791 491198757 /nfs/dbraw/zinc/19/87/57/491198757.db2.gz YNOMTGONFUUTIE-MRXNPFEDSA-N 3 0 346.519 1.798 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1cc2c(c(Br)c1)OCO2 ZINC000230004630 491236902 /nfs/dbraw/zinc/23/69/02/491236902.db2.gz DMPOZBXQFXIJQL-UHFFFAOYSA-N 2 0 345.237 1.846 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH+]2CCC(CCC[NH+](C)C)CC2)C[C@H](C)O1 ZINC000305723497 491245134 /nfs/dbraw/zinc/24/51/34/491245134.db2.gz KSOVWLYOMIPCEJ-SCTDSRPQSA-N 2 0 341.540 1.510 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1cccc(-n2cnnn2)c1 ZINC000120785677 490998185 /nfs/dbraw/zinc/99/81/85/490998185.db2.gz JFNDGKVRKPAUGE-JKSUJKDBSA-N 2 0 343.479 1.196 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000080153919 491170825 /nfs/dbraw/zinc/17/08/25/491170825.db2.gz ITNKLWDMLFZWCD-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(CNCc3cn4cccnc4n3)cc2)C1 ZINC000668490147 491179878 /nfs/dbraw/zinc/17/98/78/491179878.db2.gz RLKJWZRKRQUYHZ-GOSISDBHSA-N 2 0 337.427 1.586 20 0 EDADRP C[C@@H]1CC(=O)CC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000164261839 518178898 /nfs/dbraw/zinc/17/88/98/518178898.db2.gz PZDCKBIHLATTTH-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1CCC([N@H+](C)CCCO)CC1)C(C)C ZINC000152834251 528903311 /nfs/dbraw/zinc/90/33/11/528903311.db2.gz XUZASUROBZFCMU-UHFFFAOYSA-N 2 0 342.528 1.593 20 0 EDADRP CC(C)CN(CC(C)C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000352777642 535032538 /nfs/dbraw/zinc/03/25/38/535032538.db2.gz HQTVBDWUILBVFZ-UHFFFAOYSA-N 2 0 340.556 1.696 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000262945523 535051443 /nfs/dbraw/zinc/05/14/43/535051443.db2.gz ARCDRHKOIIYJMU-ZVZYQTTQSA-N 2 0 346.475 1.038 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C)C(C)C ZINC000339612030 535065715 /nfs/dbraw/zinc/06/57/15/535065715.db2.gz HJQNKIGSISWQPN-JKSUJKDBSA-N 2 0 340.512 1.020 20 0 EDADRP CC(C)([NH3+])C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000262663140 535195653 /nfs/dbraw/zinc/19/56/53/535195653.db2.gz ZUTFDEDAGJXFPR-UHFFFAOYSA-N 2 0 338.883 1.706 20 0 EDADRP CCCN(C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3)[C@H]1CC[NH2+]C1 ZINC000333580345 535216962 /nfs/dbraw/zinc/21/69/62/535216962.db2.gz UDNCOXTYPCLSPF-MGMWPHTOSA-N 2 0 334.508 1.924 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC000080603663 535595548 /nfs/dbraw/zinc/59/55/48/535595548.db2.gz QLOJQPPXFWMPRD-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cn(C(C)C)nn1 ZINC000339655964 535595991 /nfs/dbraw/zinc/59/59/91/535595991.db2.gz YJTWGFXUWYLWJQ-HNNXBMFYSA-N 2 0 336.484 1.347 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000262797992 535705198 /nfs/dbraw/zinc/70/51/98/535705198.db2.gz DUJVHRJVJPBQAN-QFBILLFUSA-N 2 0 332.492 1.250 20 0 EDADRP CCC[C@H]1CN(C(=O)NCCC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000346985011 535735918 /nfs/dbraw/zinc/73/59/18/535735918.db2.gz HKDNAXWSEKNBCB-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccs1 ZINC000340185203 535854104 /nfs/dbraw/zinc/85/41/04/535854104.db2.gz UPWUTXAMCPHFQS-UHFFFAOYSA-N 2 0 331.507 1.395 20 0 EDADRP C[NH+](C)CCOc1cnccc1CNC(=O)NCCC[NH+]1CCCC1 ZINC000345282556 535917846 /nfs/dbraw/zinc/91/78/46/535917846.db2.gz SCBSBCVWURAGER-UHFFFAOYSA-N 2 0 349.479 1.307 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)ccc2oc1=O ZINC000236990751 535933688 /nfs/dbraw/zinc/93/36/88/535933688.db2.gz LNLKFCNFXILOGT-VXGBXAGGSA-N 2 0 332.404 1.222 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CCCC[C@H]2CC[NH3+])cc1 ZINC000342898557 536018005 /nfs/dbraw/zinc/01/80/05/536018005.db2.gz BRTFCLXRYXVZEA-HNNXBMFYSA-N 2 0 325.478 1.640 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262118725 536019502 /nfs/dbraw/zinc/01/95/02/536019502.db2.gz VLKZZGBCHZVXEY-BHYGNILZSA-N 2 0 337.489 1.496 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[N@H+]1CC=CCC1)Cc1ccccc1 ZINC000353182453 536128776 /nfs/dbraw/zinc/12/87/76/536128776.db2.gz LGUCIEUFSHEBCS-GOSISDBHSA-N 2 0 330.476 1.720 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])c2)CC1 ZINC000237218930 536416646 /nfs/dbraw/zinc/41/66/46/536416646.db2.gz GHXGTRGQKVTNLF-MOPGFXCFSA-N 2 0 344.503 1.681 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccc2c(c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353176512 536418861 /nfs/dbraw/zinc/41/88/61/536418861.db2.gz ZHDPDNZYMUBFNY-VFSICIBPSA-N 2 0 348.443 1.712 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000246067661 536785158 /nfs/dbraw/zinc/78/51/58/536785158.db2.gz ZSCGFMJVBVECGN-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)N2CCC[N@H+](C)CC2)CC1 ZINC000726871750 578366424 /nfs/dbraw/zinc/36/64/24/578366424.db2.gz ZVLBTDCBXVSJND-UHFFFAOYSA-N 2 0 331.464 1.608 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000734278032 578804644 /nfs/dbraw/zinc/80/46/44/578804644.db2.gz BCJGLVRSOKFWGP-SJORKVTESA-N 2 0 336.480 1.119 20 0 EDADRP C[C@H](C(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1)[N@H+](C)Cc1ccccc1 ZINC000735855717 578929442 /nfs/dbraw/zinc/92/94/42/578929442.db2.gz NVLDCQMMOPIJSG-NXHRZFHOSA-N 2 0 331.460 1.486 20 0 EDADRP C[NH+]1CCC(NC(=S)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000735982719 578943947 /nfs/dbraw/zinc/94/39/47/578943947.db2.gz LPLIQLVSJKSTQC-CQSZACIVSA-N 2 0 340.537 1.046 20 0 EDADRP CC[NH+]1CCC(C[NH2+]Cc2cnc3ccc(-c4nn[nH]n4)cn23)CC1 ZINC000736566101 579000400 /nfs/dbraw/zinc/00/04/00/579000400.db2.gz WGVIGAKOSYCIQI-UHFFFAOYSA-N 2 0 340.435 1.336 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)Nc2cnn(CC[NH+](C)C)c2)CC1 ZINC000747555340 579648719 /nfs/dbraw/zinc/64/87/19/579648719.db2.gz AZZAQEJSZADKEV-UHFFFAOYSA-N 2 0 336.484 1.831 20 0 EDADRP CC[N@@H+]1CC[C@H](CNC(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C1 ZINC000747559634 579649066 /nfs/dbraw/zinc/64/90/66/579649066.db2.gz NFSGCFOGWNPMRT-CYBMUJFWSA-N 2 0 347.463 1.310 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH+](C2CCOCC2)CC1)[NH+]1CCCCC1 ZINC000747581928 579649913 /nfs/dbraw/zinc/64/99/13/579649913.db2.gz RNDNUJIBVAPSBR-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCn1nc(C)cc1C ZINC000750734676 579778789 /nfs/dbraw/zinc/77/87/89/579778789.db2.gz KRLIFQOXEPIMSE-GOSISDBHSA-N 2 0 349.523 1.765 20 0 EDADRP Fc1ccc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)cn1 ZINC000778165765 580457903 /nfs/dbraw/zinc/45/79/03/580457903.db2.gz QZYLCEYWJGJDKJ-UHFFFAOYSA-N 2 0 344.438 1.703 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC[C@@H]2C[NH+]3CCC[C@@H]3CO2)[C@@H](C)C1 ZINC000765790596 580151466 /nfs/dbraw/zinc/15/14/66/580151466.db2.gz GJJXZJSWMWYJCZ-MANSERQUSA-N 2 0 339.524 1.576 20 0 EDADRP CN1c2ccc(C[NH2+]CC(C)(C)N3CC[NH+](C)CC3)cc2CCC1=O ZINC000775300451 580387546 /nfs/dbraw/zinc/38/75/46/580387546.db2.gz MKOPBRXQFHBQLD-UHFFFAOYSA-N 2 0 344.503 1.711 20 0 EDADRP C[C@H](CNS(=O)(=O)c1ccc(C[NH+](C)C)cc1)[NH+]1CCCCC1 ZINC000788600684 580725533 /nfs/dbraw/zinc/72/55/33/580725533.db2.gz ZAANCXDQMXLQKD-OAHLLOKOSA-N 2 0 339.505 1.901 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=S)NCC[NH+](C)C)c1 ZINC000790343590 580767168 /nfs/dbraw/zinc/76/71/68/580767168.db2.gz HWACUQHNQSGTBW-UHFFFAOYSA-N 2 0 338.521 1.495 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)C[C@H]1C(F)(F)F ZINC000891857935 590658111 /nfs/dbraw/zinc/65/81/11/590658111.db2.gz HVSPRHMYCAZDIA-KWCYVHTRSA-N 2 0 348.413 1.782 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CCCO1 ZINC000891857145 590658303 /nfs/dbraw/zinc/65/83/03/590658303.db2.gz ZAIZIDHIFFXWOY-CVEARBPZSA-N 2 0 340.512 1.565 20 0 EDADRP Cc1cccc(CN2CCO[C@H](CNC(=O)N[C@@H](C)CC[NH3+])C2)c1 ZINC000892056478 590776253 /nfs/dbraw/zinc/77/62/53/590776253.db2.gz SMBIWMBMOAPPFJ-DOTOQJQBSA-N 2 0 334.464 1.232 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000892087641 590792005 /nfs/dbraw/zinc/79/20/05/590792005.db2.gz HJURGXSJTLSLLH-LJQANCHMSA-N 2 0 328.460 1.965 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CC[C@@H]21 ZINC000892119122 590809786 /nfs/dbraw/zinc/80/97/86/590809786.db2.gz MQJGOUCUTMFZNT-NJAFHUGGSA-N 2 0 328.460 1.609 20 0 EDADRP CC(=O)OC[C@H](C)Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000893380503 590820682 /nfs/dbraw/zinc/82/06/82/590820682.db2.gz YIRIZGXFNZTCHQ-ZDUSSCGKSA-N 2 0 346.431 1.801 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000892157218 590828653 /nfs/dbraw/zinc/82/86/53/590828653.db2.gz VJSXGHUYMTXPNR-JSGCOSHPSA-N 2 0 339.390 1.299 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)NCc1ccc(C[NH3+])cc1 ZINC000892210520 590866686 /nfs/dbraw/zinc/86/66/86/590866686.db2.gz MYAQTKOZZHOOLS-HNNXBMFYSA-N 2 0 339.443 1.961 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)C[C@@H]1C(F)(F)F ZINC000892234982 590879872 /nfs/dbraw/zinc/87/98/72/590879872.db2.gz BNHRAMRDCXZWGV-RQJABVFESA-N 2 0 348.413 1.782 20 0 EDADRP CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@H]1CC[NH2+]C1 ZINC000892256955 590890343 /nfs/dbraw/zinc/89/03/43/590890343.db2.gz GDHQSFMFSDSSCF-CGTJXYLNSA-N 2 0 346.475 1.534 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000892266388 590899301 /nfs/dbraw/zinc/89/93/01/590899301.db2.gz GUQJRODLEADSRS-IAGOWNOFSA-N 2 0 344.459 1.493 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CCN1c1cc[nH+]cc1 ZINC000892274876 590905939 /nfs/dbraw/zinc/90/59/39/590905939.db2.gz QZHZRPVFFVKXFU-ZBFHGGJFSA-N 2 0 329.448 1.586 20 0 EDADRP [NH3+]CCCOCCNC(=O)N1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000892290625 590918659 /nfs/dbraw/zinc/91/86/59/590918659.db2.gz IOCSVVNWMGNMQS-WBVHZDCISA-N 2 0 340.512 1.681 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC000909397161 590941950 /nfs/dbraw/zinc/94/19/50/590941950.db2.gz OGPFJXQLFCHPGI-IRXDYDNUSA-N 2 0 336.524 1.536 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@](C)(C[NH3+])C3)C2)cc1 ZINC000892530690 591060813 /nfs/dbraw/zinc/06/08/13/591060813.db2.gz VDIFFQJZEJHQKC-HKUYNNGSSA-N 2 0 330.476 1.950 20 0 EDADRP Cc1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)cnc1F ZINC000892531964 591061676 /nfs/dbraw/zinc/06/16/76/591061676.db2.gz FYNNMPYVNLJZOS-UHFFFAOYSA-N 2 0 329.423 1.966 20 0 EDADRP [NH3+]Cc1nc2c(s1)CCN(C(=O)NC[C@H]1CC[N@@H+](C3CC3)C1)C2 ZINC000891365202 591062363 /nfs/dbraw/zinc/06/23/63/591062363.db2.gz HIMRMSONFZVVBF-LLVKDONJSA-N 2 0 335.477 1.154 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)c(C2CC2)n1 ZINC000892532395 591062400 /nfs/dbraw/zinc/06/24/00/591062400.db2.gz OSQPHRSWUOTMBM-UHFFFAOYSA-N 2 0 340.475 1.734 20 0 EDADRP C[NH+]1CCC(C[NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000892538385 591065231 /nfs/dbraw/zinc/06/52/31/591065231.db2.gz OGOUIJSXBUNUGL-UHFFFAOYSA-N 2 0 336.480 1.563 20 0 EDADRP C[NH2+]CCN(C)C(=O)NC[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000892610651 591095137 /nfs/dbraw/zinc/09/51/37/591095137.db2.gz FHOOEHSUGDXZHR-KRWDZBQOSA-N 2 0 334.464 1.057 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891537560 591112373 /nfs/dbraw/zinc/11/23/73/591112373.db2.gz KRBFIUURBPTUFV-ROUUACIJSA-N 2 0 346.475 1.111 20 0 EDADRP CN(C)C(=O)CN(C)Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000893901808 591129443 /nfs/dbraw/zinc/12/94/43/591129443.db2.gz FGQDNFZKTNVUGV-UHFFFAOYSA-N 2 0 343.374 1.590 20 0 EDADRP C[C@@H]1CN(c2nccc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)n2)C[C@H](C)[NH+]1C ZINC000893990074 591161815 /nfs/dbraw/zinc/16/18/15/591161815.db2.gz FYSROYHEBSRVEF-GEEKYZPCSA-N 2 0 332.496 1.534 20 0 EDADRP CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892755775 591163435 /nfs/dbraw/zinc/16/34/35/591163435.db2.gz KLWDMHIJUBSJAM-VFSICIBPSA-N 2 0 336.480 1.070 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(c3nc(F)c(F)cc3F)CC2)CC1 ZINC000894037404 591178986 /nfs/dbraw/zinc/17/89/86/591178986.db2.gz KPIJXCDQVYFYJJ-UHFFFAOYSA-N 2 0 328.382 1.963 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)NC[C@H]3Cc4ccccc4C[NH2+]3)C2)C1 ZINC000892795996 591182925 /nfs/dbraw/zinc/18/29/25/591182925.db2.gz XTBCHAICEXLOOO-QUCCMNQESA-N 2 0 342.487 1.828 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(OC)c2)CC1 ZINC000892934862 591229838 /nfs/dbraw/zinc/22/98/38/591229838.db2.gz LBRANXUPMYPJGT-QGZVFWFLSA-N 2 0 346.475 1.965 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NCC[NH+]1CCC(C)(C)C1 ZINC000892944362 591234360 /nfs/dbraw/zinc/23/43/60/591234360.db2.gz PLAFIMRYONNGIZ-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc(N(C)C[C@@H]2CCC[NH+]2C)n1 ZINC000894251092 591247117 /nfs/dbraw/zinc/24/71/17/591247117.db2.gz GSTWHJLOYRIKDU-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP C[NH+]1CCC(C[NH2+][C@H]2CC(=O)N(CCOc3ccccc3)C2)CC1 ZINC000893023176 591258413 /nfs/dbraw/zinc/25/84/13/591258413.db2.gz PJAIZFAJLLHNQC-KRWDZBQOSA-N 2 0 331.460 1.598 20 0 EDADRP C[NH+]1CC[C@@H]1CNc1nc(NC[C@@H]2CC[N@H+]2C)cc(C(F)(F)F)n1 ZINC000895772226 591270106 /nfs/dbraw/zinc/27/01/06/591270106.db2.gz YLYBMVCYCKZFPR-WDEREUQCSA-N 2 0 344.385 1.727 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000896121072 591355780 /nfs/dbraw/zinc/35/57/80/591355780.db2.gz DFVMHWXHNXRPOI-UHFFFAOYSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000896353635 591434578 /nfs/dbraw/zinc/43/45/78/591434578.db2.gz YOBFBWFSMONHKN-LMMKCTJWSA-N 2 0 349.519 1.820 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000897439295 591451886 /nfs/dbraw/zinc/45/18/86/591451886.db2.gz UMQYSFNUEQOXHT-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000897439296 591452216 /nfs/dbraw/zinc/45/22/16/591452216.db2.gz UMQYSFNUEQOXHT-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)N1CCN(C2=NCC(C)(C)S2)CC1 ZINC000896491510 591477372 /nfs/dbraw/zinc/47/73/72/591477372.db2.gz RYEKCDTVWTUVGX-CYBMUJFWSA-N 2 0 338.521 1.885 20 0 EDADRP C[C@H]1CCC[N@@H+]1CCNC(=O)N(C)CC[NH+](C)C1CCN(C)CC1 ZINC000897480421 591485207 /nfs/dbraw/zinc/48/52/07/591485207.db2.gz ZPLHKWBEQLSOTQ-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H](NC(=O)c1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[N@H+](C)CCN1C ZINC000896541880 591505629 /nfs/dbraw/zinc/50/56/29/591505629.db2.gz JCUVUSCTCUKIOV-APWZRJJASA-N 2 0 344.503 1.647 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897545403 591545197 /nfs/dbraw/zinc/54/51/97/591545197.db2.gz NPAYDDNCZWZQRL-QGZVFWFLSA-N 2 0 342.528 1.718 20 0 EDADRP C[NH+]1CCC2(CCN2C(=O)NC[C@@H]2CC[N@@H+]2C2CCOCC2)CC1 ZINC000896749208 591602764 /nfs/dbraw/zinc/60/27/64/591602764.db2.gz OQMYMJGBXQGBGL-INIZCTEOSA-N 2 0 336.480 1.119 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000898990121 591627428 /nfs/dbraw/zinc/62/74/28/591627428.db2.gz YJEQUVFRWSAPKK-GVDBMIGSSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@]2(C)CN(C(=O)OC(C)(C)C)CCO2)CC1 ZINC000896898956 591664038 /nfs/dbraw/zinc/66/40/38/591664038.db2.gz RAIYKLLCXLHKJJ-GOSISDBHSA-N 2 0 341.496 1.944 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C1C[NH+](C2CCOCC2)C1 ZINC000895423901 591756462 /nfs/dbraw/zinc/75/64/62/591756462.db2.gz FDMAJEKBXUMBCY-QGZVFWFLSA-N 2 0 347.459 1.644 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccccc1 ZINC000895445866 591760764 /nfs/dbraw/zinc/76/07/64/591760764.db2.gz JTEIIJRVEXMUDO-GOSISDBHSA-N 2 0 331.460 1.516 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C[C@H]1CCN1C1CCOCC1 ZINC000897228617 591779034 /nfs/dbraw/zinc/77/90/34/591779034.db2.gz OGEMCEBSKYWCIF-OAHLLOKOSA-N 2 0 343.427 1.126 20 0 EDADRP O=C(C1CC[NH+](C2CC2)CC1)N1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000898113961 591786514 /nfs/dbraw/zinc/78/65/14/591786514.db2.gz PGQMVNJMEYJTJB-UHFFFAOYSA-N 2 0 335.492 1.214 20 0 EDADRP C[C@@H]1CN(Cc2cn(Cc3cccnc3)nn2)CCN1c1cc[nH+]cc1 ZINC000895558440 591801321 /nfs/dbraw/zinc/80/13/21/591801321.db2.gz WYKATZBWWHTFDA-MRXNPFEDSA-N 2 0 349.442 1.827 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000900023492 591871378 /nfs/dbraw/zinc/87/13/78/591871378.db2.gz MFVNPEMZNKZDBA-ZWKOTPCHSA-N 2 0 334.508 1.243 20 0 EDADRP C[NH+]1CCN(CCNC(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000900043306 591876267 /nfs/dbraw/zinc/87/62/67/591876267.db2.gz KPLCBYVKASMXLV-UHFFFAOYSA-N 2 0 329.448 1.268 20 0 EDADRP CCOC(=O)N1C[C@@H](CO)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000898353253 591885493 /nfs/dbraw/zinc/88/54/93/591885493.db2.gz DFVOMYGAZHIGDI-WMLDXEAASA-N 2 0 348.447 1.089 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900214852 591945369 /nfs/dbraw/zinc/94/53/69/591945369.db2.gz IJXBRBANLTXLOD-SCTDSRPQSA-N 2 0 339.524 1.708 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NC[C@H](C)[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000900199165 591948205 /nfs/dbraw/zinc/94/82/05/591948205.db2.gz QRBUZXYXFCEWDN-ROUUACIJSA-N 2 0 338.540 1.782 20 0 EDADRP COc1ccc([C@@H](C[NH2+][C@@H](C)C2([NH3+])CC2)N2CCOCC2)cc1OC ZINC000902329203 591979592 /nfs/dbraw/zinc/97/95/92/591979592.db2.gz QLOMCHZIMURWLA-GOEBONIOSA-N 2 0 349.475 1.547 20 0 EDADRP CC(C)(C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)[C@H]1COCC12OCCO2 ZINC000902390863 591989984 /nfs/dbraw/zinc/98/99/84/591989984.db2.gz PWKMQCQOIVBYBA-HUUCEWRRSA-N 2 0 326.481 1.770 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)N[C@@H]2Cc3ccccc3[C@H]2[NH3+])c1 ZINC000902436623 591995328 /nfs/dbraw/zinc/99/53/28/591995328.db2.gz CVWCNORLGSWRCI-NXOUGTEYSA-N 2 0 345.468 1.870 20 0 EDADRP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1CCN(c3cn[nH]c(=O)c3Cl)C1)[NH2+]2 ZINC000902521299 592010398 /nfs/dbraw/zinc/01/03/98/592010398.db2.gz RCEUEAYYUULYJY-MLGHIDQZSA-N 2 0 337.855 1.533 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900429339 592015888 /nfs/dbraw/zinc/01/58/88/592015888.db2.gz PATWURJSPKMLLA-SFNKJDCFSA-N 2 0 337.508 1.697 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)C1 ZINC000900477335 592029147 /nfs/dbraw/zinc/02/91/47/592029147.db2.gz CFSIWMYJBJKQIH-KUHUBIRLSA-N 2 0 348.491 1.458 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2ccnn2CC[NH+](C)C)cc1 ZINC000900550555 592045868 /nfs/dbraw/zinc/04/58/68/592045868.db2.gz ZTYFUFGTQUNCSM-UHFFFAOYSA-N 2 0 329.448 1.801 20 0 EDADRP [NH2+]=C(NOCc1cnnn1-c1ccccc1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902807478 592063847 /nfs/dbraw/zinc/06/38/47/592063847.db2.gz HOPURKGMXOHXNS-GOEBONIOSA-N 2 0 342.403 1.129 20 0 EDADRP COC(=O)c1ccc(CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000902809141 592067702 /nfs/dbraw/zinc/06/77/02/592067702.db2.gz BSURWMZIEBWYSM-LSDHHAIUSA-N 2 0 333.388 1.335 20 0 EDADRP C[NH+]1CCC(N(Cc2ccco2)C(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000900686160 592093885 /nfs/dbraw/zinc/09/38/85/592093885.db2.gz YXABQWKQKBODTG-QGZVFWFLSA-N 2 0 347.459 1.423 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC2)C1 ZINC000903083709 592117372 /nfs/dbraw/zinc/11/73/72/592117372.db2.gz MFITVSZJGWDCPS-WPXLMEDKSA-N 2 0 327.494 1.158 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)CCN2CC[NH+](C(C)C)CC2)C1 ZINC000900882141 592155953 /nfs/dbraw/zinc/15/59/53/592155953.db2.gz RGIMWLHJXPAMBS-GOSISDBHSA-N 2 0 338.540 1.593 20 0 EDADRP C[N@@H+](CC(=O)Nc1ccc(N2CCOCC2)cc1)C[C@@H]1CC[C@H]([NH3+])C1 ZINC000903431012 592168246 /nfs/dbraw/zinc/16/82/46/592168246.db2.gz CSJTVFDCIHGRJR-CVEARBPZSA-N 2 0 346.475 1.521 20 0 EDADRP COc1ccc(OC)c(CN2CC[NH+](C[C@@H]3CC[C@H]([NH3+])C3)CC2)c1 ZINC000903441250 592169912 /nfs/dbraw/zinc/16/99/12/592169912.db2.gz JOEHTROABQWKBW-WBVHZDCISA-N 2 0 333.476 1.949 20 0 EDADRP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCc2ncc(Br)n2C1 ZINC000903481121 592177064 /nfs/dbraw/zinc/17/70/64/592177064.db2.gz VMTVLSXNWCRGIL-GFPRJFBKSA-N 2 0 339.281 1.890 20 0 EDADRP FC(F)(F)[C@@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)O1 ZINC000903505603 592181923 /nfs/dbraw/zinc/18/19/23/592181923.db2.gz DVECCZGGZDETSJ-FZKCQIBNSA-N 2 0 347.425 1.997 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C2 ZINC000903491946 592184872 /nfs/dbraw/zinc/18/48/72/592184872.db2.gz HEDMKYBCWGVIAR-AFIMGQEJSA-N 2 0 339.480 1.092 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](CCCOc1ccc(F)cc1)C2 ZINC000903491780 592184877 /nfs/dbraw/zinc/18/48/77/592184877.db2.gz APJGDDYOWOGAKV-JOQOYGCGSA-N 2 0 336.407 1.807 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCCO[C@H]2CCCC[C@H]2C)C[C@H]1CC[NH3+] ZINC000903496941 592188271 /nfs/dbraw/zinc/18/82/71/592188271.db2.gz KTJUXNNPYVDJKE-VQHPVUNQSA-N 2 0 325.497 1.615 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)Nc2ccnn2Cc2cccs2)C[C@H]1CC[NH3+] ZINC000903497250 592188446 /nfs/dbraw/zinc/18/84/46/592188446.db2.gz RKICUXQHOUHCJS-ZIAGYGMSSA-N 2 0 347.488 1.848 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C[C@H]1CC[NH3+] ZINC000903496983 592188555 /nfs/dbraw/zinc/18/85/55/592188555.db2.gz MEPDGYIPQFBQRW-HZPDHXFCSA-N 2 0 348.466 1.391 20 0 EDADRP C[C@@H]1C[NH+](CCCCNC(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C[C@@H](C)O1 ZINC000900981495 592189030 /nfs/dbraw/zinc/18/90/30/592189030.db2.gz SQVSBNBDZZEZKI-BZUAXINKSA-N 2 0 325.497 1.865 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)NCc1cccs1 ZINC000903511783 592191392 /nfs/dbraw/zinc/19/13/92/592191392.db2.gz ZROKGWAIEBWQQS-IYBDPMFKSA-N 2 0 348.516 1.265 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000906646247 592232083 /nfs/dbraw/zinc/23/20/83/592232083.db2.gz OJKRVDOQITXSDH-OAHLLOKOSA-N 2 0 330.432 1.171 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906652578 592235882 /nfs/dbraw/zinc/23/58/82/592235882.db2.gz MWWNQIHETZHOKG-OAHLLOKOSA-N 2 0 332.448 1.465 20 0 EDADRP CC(C)c1nn(C)c(N(C)C)c1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904392657 592242989 /nfs/dbraw/zinc/24/29/89/592242989.db2.gz WRAJWUZTJNODCG-HNNXBMFYSA-N 2 0 349.523 1.939 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC[N@@H+]1C ZINC000906663057 592245066 /nfs/dbraw/zinc/24/50/66/592245066.db2.gz CMLUICFJCMLMHK-CZUORRHYSA-N 2 0 346.475 1.760 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906665967 592247965 /nfs/dbraw/zinc/24/79/65/592247965.db2.gz JSETZDFCLMRZMO-MRXNPFEDSA-N 2 0 346.475 1.762 20 0 EDADRP [NH3+][C@@]1(CO)CCCN(Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000904402756 592249419 /nfs/dbraw/zinc/24/94/19/592249419.db2.gz ZWRHIJNVOJAROG-IBGZPJMESA-N 2 0 333.476 1.447 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000901153498 592264193 /nfs/dbraw/zinc/26/41/93/592264193.db2.gz WSSREZUMMSKTCZ-FUHWJXTLSA-N 2 0 325.497 1.317 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)C[C@]1(O)CCC[NH+](C)C1 ZINC000901196482 592281818 /nfs/dbraw/zinc/28/18/18/592281818.db2.gz AJRNQRWREUIPIY-HXUWFJFHSA-N 2 0 347.503 1.860 20 0 EDADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903732260 592288493 /nfs/dbraw/zinc/28/84/93/592288493.db2.gz DRZYZTGLBMVRDR-PMACEKPBSA-N 2 0 348.487 1.920 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000906696719 592294734 /nfs/dbraw/zinc/29/47/34/592294734.db2.gz GNCPQDZIZOIXPZ-UHFFFAOYSA-N 2 0 330.432 1.219 20 0 EDADRP c1nnc([C@@H]2CCC[N@@H+](C[C@H]3C[C@]4(CC[NH2+]C4)CO3)C2)n1C1CC1 ZINC000903751339 592295471 /nfs/dbraw/zinc/29/54/71/592295471.db2.gz CZQSQYOBARNZPQ-KYJSFNMBSA-N 2 0 331.464 1.561 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)n2)ccn1 ZINC000904628919 592298578 /nfs/dbraw/zinc/29/85/78/592298578.db2.gz XWFQHJGBMCYXPO-BFHYXJOUSA-N 2 0 329.404 1.680 20 0 EDADRP CCOC(=O)N[C@@H]1CCC[N@H+](C[C@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903753941 592303682 /nfs/dbraw/zinc/30/36/82/592303682.db2.gz ZGGJXJSQRXUMEO-HUUCEWRRSA-N 2 0 325.453 1.356 20 0 EDADRP C[C@H](c1cccnc1)N1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903742051 592304267 /nfs/dbraw/zinc/30/42/67/592304267.db2.gz VEUSELXZXSDXOK-NZSAHSFTSA-N 2 0 330.476 1.529 20 0 EDADRP [NH3+][C@@H]1CN(C[C@H]2CC3(CO2)CC[NH2+]CC3)C[C@H]1c1cccc(F)c1 ZINC000903761433 592307408 /nfs/dbraw/zinc/30/74/08/592307408.db2.gz SNHSCXSXRRWNJO-FGTMMUONSA-N 2 0 333.451 1.711 20 0 EDADRP c1ccc(CN2CC[C@H]3C[N@@H+](C[C@@H]4C[C@@]5(CC[NH2+]C5)CO4)C[C@H]32)cc1 ZINC000903763010 592307512 /nfs/dbraw/zinc/30/75/12/592307512.db2.gz GSUSHWNMOHOZCU-UWHLTILDSA-N 2 0 341.499 1.961 20 0 EDADRP CC(C)C[C@H]([NH3+])Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904674643 592310097 /nfs/dbraw/zinc/31/00/97/592310097.db2.gz ZVLNJLCEXBAFAP-AWEZNQCLSA-N 2 0 344.463 1.799 20 0 EDADRP O=C1CCCCN1C1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903756019 592313436 /nfs/dbraw/zinc/31/34/36/592313436.db2.gz ODOBEIVUHJEAEQ-QGZVFWFLSA-N 2 0 335.492 1.622 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@H]2C[C@@H]3CC[C@H]2[NH2+]3)cc1 ZINC000906727252 592315565 /nfs/dbraw/zinc/31/55/65/592315565.db2.gz NEPNAWFJTVDUHQ-GVDBMIGSSA-N 2 0 344.459 1.476 20 0 EDADRP COC(=O)C(C)(C)C[N@H+](CC(C)C)C[C@@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903783751 592322324 /nfs/dbraw/zinc/32/23/24/592322324.db2.gz BSFUEIYRNVZVOB-YJBOKZPZSA-N 2 0 326.481 1.912 20 0 EDADRP C[NH2+]CCN(C(=O)C(=O)N1CCC(C[N@H+](C)C(C)C)CC1)C(C)C ZINC000903809435 592330065 /nfs/dbraw/zinc/33/00/65/592330065.db2.gz SILLMIFVYFCRFV-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000903884916 592363960 /nfs/dbraw/zinc/36/39/60/592363960.db2.gz BPCUITAHVVJOQG-IRXDYDNUSA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(O[C@@H]3CCOC3)CC2)cnn1C ZINC000903909925 592375143 /nfs/dbraw/zinc/37/51/43/592375143.db2.gz INQSRNYNDGRJBQ-CRAIPNDOSA-N 2 0 336.480 1.116 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]Cc1ccc2c(c1)CCCN2 ZINC000903918774 592377274 /nfs/dbraw/zinc/37/72/74/592377274.db2.gz HQJSCJCBKCQMJH-INIZCTEOSA-N 2 0 326.448 1.851 20 0 EDADRP CCOC(=O)N1CCC([NH2+]C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903922470 592377857 /nfs/dbraw/zinc/37/78/57/592377857.db2.gz XOGGGRBIWNCZFJ-AWEZNQCLSA-N 2 0 337.468 1.056 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+][C@H]1CCN(c2ccccc2)C1 ZINC000903923406 592378516 /nfs/dbraw/zinc/37/85/16/592378516.db2.gz SVSHAVZWTRARKW-RDJZCZTQSA-N 2 0 326.448 1.571 20 0 EDADRP COc1ccc(CC[NH2+]Cc2cnnn2[C@H]2CCC[NH2+]C2)cc1OC ZINC000903925552 592379849 /nfs/dbraw/zinc/37/98/49/592379849.db2.gz NVOKEPKVGQZPBW-HNNXBMFYSA-N 2 0 345.447 1.552 20 0 EDADRP CCC1([NH+]2CCC2)CCN(C[C@H](C[NH3+])Cc2cnn(C)c2C)CC1 ZINC000903953175 592393883 /nfs/dbraw/zinc/39/38/83/592393883.db2.gz BRMZGCSHJURADK-KRWDZBQOSA-N 2 0 333.524 1.796 20 0 EDADRP C[C@H]1c2c[nH]nc2CC[C@@H]1C(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000906906017 592397503 /nfs/dbraw/zinc/39/75/03/592397503.db2.gz DZNHEFZRXFSULP-HIFRSBDPSA-N 2 0 333.480 1.218 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000905067915 592400442 /nfs/dbraw/zinc/40/04/42/592400442.db2.gz RIOHCQJDYSZJLE-UHFFFAOYSA-N 2 0 344.503 1.261 20 0 EDADRP C[NH+]1CCN(C(C)(C)C[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905111935 592412085 /nfs/dbraw/zinc/41/20/85/592412085.db2.gz VRDIRTQVMQHBJS-MSOLQXFVSA-N 2 0 335.492 1.087 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905154423 592423643 /nfs/dbraw/zinc/42/36/43/592423643.db2.gz OVDGUCKFQHXBFZ-MSOLQXFVSA-N 2 0 328.497 1.237 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@@H]2CC[N@@H+]2C)[NH+]2CCCC2)cc1 ZINC000905149519 592439256 /nfs/dbraw/zinc/43/92/56/592439256.db2.gz QPDQEFXBGURVQR-WMZOPIPTSA-N 2 0 346.475 1.835 20 0 EDADRP C[C@]1(C[NH2+]C[C@@H](O)C2(O)CCOCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000905243990 592474783 /nfs/dbraw/zinc/47/47/83/592474783.db2.gz NYPWUBKCHDTZCX-RTBURBONSA-N 2 0 348.487 1.391 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CO)([NH2+]C(C)C)CC2)C1 ZINC000908610593 592553474 /nfs/dbraw/zinc/55/34/74/592553474.db2.gz PNGAQRFEGSHXQQ-MRXNPFEDSA-N 2 0 325.497 1.460 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)CC2(O)CCOCC2)CC1 ZINC000905533277 592554013 /nfs/dbraw/zinc/55/40/13/592554013.db2.gz FDGCSWPDAFBCRK-ADKAHSJRSA-N 2 0 340.508 1.666 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)C2CCC([NH+]3CCOCC3)CC2)c1 ZINC000907323662 592602927 /nfs/dbraw/zinc/60/29/27/592602927.db2.gz INOINPKPOGWOMG-UHFFFAOYSA-N 2 0 332.448 1.977 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)CC2([NH+](C)C)CCC2)CC1 ZINC000907614985 592741207 /nfs/dbraw/zinc/74/12/07/592741207.db2.gz SLSASRJAAWYUPL-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000906218253 592760515 /nfs/dbraw/zinc/76/05/15/592760515.db2.gz ILJGOAZHUJXMEG-HNNXBMFYSA-N 2 0 333.480 1.151 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)[C@H]1CCCO1 ZINC000906489359 592830908 /nfs/dbraw/zinc/83/09/08/592830908.db2.gz SQERBSKWGPHGNG-GVDBMIGSSA-N 2 0 325.497 1.676 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C2CC2)c1N ZINC000906489035 592831147 /nfs/dbraw/zinc/83/11/47/592831147.db2.gz RLLOHSYURQKYJZ-OAHLLOKOSA-N 2 0 348.495 1.288 20 0 EDADRP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N1CCC([NH+]2CCCOCC2)CC1 ZINC000910366810 592845541 /nfs/dbraw/zinc/84/55/41/592845541.db2.gz UHOCCTHORDDLII-MSOLQXFVSA-N 2 0 335.492 1.717 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+]3CCCOCC3)CC2)C1 ZINC000910366183 592845650 /nfs/dbraw/zinc/84/56/50/592845650.db2.gz CNCRCNMFDBLYAM-KRWDZBQOSA-N 2 0 337.508 1.822 20 0 EDADRP CC(C)([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000906644982 592865844 /nfs/dbraw/zinc/86/58/44/592865844.db2.gz HSUVSYXCJVWOMB-JKSUJKDBSA-N 2 0 344.459 1.562 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1C[C@H]([NH3+])C(C)(C)C1)CC(C)C ZINC000911068430 592919432 /nfs/dbraw/zinc/91/94/32/592919432.db2.gz KSOYRLQVHVDOTI-GJZGRUSLSA-N 2 0 340.512 1.055 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCCN1CCO[C@@H](C)C1 ZINC000731281971 592923761 /nfs/dbraw/zinc/92/37/61/592923761.db2.gz CYHQIUCSCDLFCG-IRXDYDNUSA-N 2 0 340.512 1.661 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2OCC[C@H]2[NH2+]1)c1ccccc1 ZINC000911633407 592970913 /nfs/dbraw/zinc/97/09/13/592970913.db2.gz SKUOHWKKXZOEGM-XDNAFOTISA-N 2 0 331.460 1.705 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000911665699 592973666 /nfs/dbraw/zinc/97/36/66/592973666.db2.gz SCEWYXFZSZWNHN-IIVZCXTMSA-N 2 0 347.459 1.358 20 0 EDADRP C[NH2+]C[C@@H]1CCCCN1C(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000911266877 592979939 /nfs/dbraw/zinc/97/99/39/592979939.db2.gz JIOOPDYUKZXNIZ-IRXDYDNUSA-N 2 0 346.475 1.006 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1[NH2+]CC[C@@H]2CCCC[C@@H]12 ZINC000911734488 592992241 /nfs/dbraw/zinc/99/22/41/592992241.db2.gz CJOWRYIQKPWRTD-YXJHDRRASA-N 2 0 343.475 1.598 20 0 EDADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911765405 592999980 /nfs/dbraw/zinc/99/99/80/592999980.db2.gz UPRAWXMYDUGUEV-QFBILLFUSA-N 2 0 325.412 1.612 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@H]2CC[NH2+][C@H]([C@H]3CCCO3)C2)CCCCC1 ZINC000912014737 593052121 /nfs/dbraw/zinc/05/21/21/593052121.db2.gz NSGUFBPGJFKDOP-IXDOHACOSA-N 2 0 337.508 1.914 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000912347892 593087871 /nfs/dbraw/zinc/08/78/71/593087871.db2.gz ZUPNYSYOMIZTCN-UHFFFAOYSA-N 2 0 346.475 1.516 20 0 EDADRP Cn1cnc(C[NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000808378338 593256113 /nfs/dbraw/zinc/25/61/13/593256113.db2.gz LICFTAJHPKKITE-IBGZPJMESA-N 2 0 327.476 1.889 20 0 EDADRP [NH3+][C@@H](C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1)C1CCC1 ZINC000817859062 593641788 /nfs/dbraw/zinc/64/17/88/593641788.db2.gz OQWKVESHNNOKMS-JKSUJKDBSA-N 2 0 331.416 1.661 20 0 EDADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818997471 593733087 /nfs/dbraw/zinc/73/30/87/593733087.db2.gz BNDRYMRBYUXTMS-IAGOWNOFSA-N 2 0 337.439 1.391 20 0 EDADRP COC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000819004371 593733527 /nfs/dbraw/zinc/73/35/27/593733527.db2.gz YVUKTOGNOBAOFT-DLBZAZTESA-N 2 0 335.448 1.300 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(C(F)(F)F)cc1 ZINC000819035208 593734923 /nfs/dbraw/zinc/73/49/23/593734923.db2.gz VPNNZKQMAIDLIV-XJKSGUPXSA-N 2 0 345.409 1.964 20 0 EDADRP C[C@H](C[NH2+]C[C@H](O)c1ccc(Cl)cc1)CN1CC[NH+](C)CC1 ZINC000819059200 593736428 /nfs/dbraw/zinc/73/64/28/593736428.db2.gz WKLZLMGHEMQQSP-PBHICJAKSA-N 2 0 325.884 1.847 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000819058356 593736435 /nfs/dbraw/zinc/73/64/35/593736435.db2.gz IXCJLXHDDFMTKL-KSSFIOAISA-N 2 0 341.446 1.861 20 0 EDADRP C[C@H]1CN=C(N2CCN(C(=O)[C@H]3CC[N@@H+]3C3CCCC3)CC2)S1 ZINC000820282912 593806052 /nfs/dbraw/zinc/80/60/52/593806052.db2.gz FWIHGLPGWFJSRS-DZGCQCFKSA-N 2 0 336.505 1.639 20 0 EDADRP C[NH+](C)CCC1CC[NH+](C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000821584631 593869649 /nfs/dbraw/zinc/86/96/49/593869649.db2.gz LYLBDCSDBMBAMW-QGZVFWFLSA-N 2 0 344.463 1.564 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821160293 593978948 /nfs/dbraw/zinc/97/89/48/593978948.db2.gz IZGBEVNGPRLFHT-OAHLLOKOSA-N 2 0 344.463 1.909 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(CCCCC[NH3+])n3)cn2)CC1 ZINC000822950858 594127335 /nfs/dbraw/zinc/12/73/35/594127335.db2.gz DCRAIAYYUCHZBW-UHFFFAOYSA-N 2 0 344.463 1.945 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc([C@@H]4CCC[NH2+]C4)n3)cn2)CC1 ZINC000822951610 594127905 /nfs/dbraw/zinc/12/79/05/594127905.db2.gz VMCXXOHFNYPYIG-OAHLLOKOSA-N 2 0 342.447 1.741 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000822980169 594131233 /nfs/dbraw/zinc/13/12/33/594131233.db2.gz FFPZFSGJEKTWKU-GXTWGEPZSA-N 2 0 328.420 1.349 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1c1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000822980171 594131331 /nfs/dbraw/zinc/13/13/31/594131331.db2.gz FFPZFSGJEKTWKU-OCCSQVGLSA-N 2 0 328.420 1.349 20 0 EDADRP [NH3+]CCCCCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000828756889 594496327 /nfs/dbraw/zinc/49/63/27/594496327.db2.gz QMGPFRAEHLSTMT-UHFFFAOYSA-N 2 0 333.476 1.779 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCCCCCC[NH3+])CC1 ZINC000831127327 594563403 /nfs/dbraw/zinc/56/34/03/594563403.db2.gz KTQUADKFMJOJFA-UHFFFAOYSA-N 2 0 328.501 1.694 20 0 EDADRP C[NH+]1CC[C@@H]2CN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000827247513 594656126 /nfs/dbraw/zinc/65/61/26/594656126.db2.gz XCIYOAKHKRCZJU-YRXWBPOGSA-N 2 0 327.472 1.884 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCc4ccccc4C3)CC[C@@H]21 ZINC000827277555 594658233 /nfs/dbraw/zinc/65/82/33/594658233.db2.gz MSMGNPPFRIJKPV-MOPGFXCFSA-N 2 0 327.472 1.987 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]C[C@@H]3C)cc2)CC1 ZINC000841017927 594839943 /nfs/dbraw/zinc/83/99/43/594839943.db2.gz LKRWJLDFVCAGOK-MAUKXSAKSA-N 2 0 345.491 1.948 20 0 EDADRP c1nn(-c2ccccc2)nc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000841088266 594849663 /nfs/dbraw/zinc/84/96/63/594849663.db2.gz ZPCKCOUMJSPTAG-UHFFFAOYSA-N 2 0 340.475 1.573 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]C[C@@H](O)c2ccc3ccccc3c2)C1 ZINC000841096539 594850431 /nfs/dbraw/zinc/85/04/31/594850431.db2.gz ZSJATGCKQVXSTA-DNVCBOLYSA-N 2 0 341.455 1.660 20 0 EDADRP CN1CCN(C(=O)Nc2cc(Cl)c(N)c(Cl)c2)[C@H](C[NH3+])C1 ZINC000841205355 594868079 /nfs/dbraw/zinc/86/80/79/594868079.db2.gz MJTQJWWLOHQTDE-SECBINFHSA-N 2 0 332.235 1.682 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C(=O)OC[C@@H]1CCC[NH2+]1 ZINC000841847043 594964296 /nfs/dbraw/zinc/96/42/96/594964296.db2.gz QECYPILRCUEKAK-KBPBESRZSA-N 2 0 333.432 1.922 20 0 EDADRP Cc1ccc(NC(=O)NC[C@H]2CCCC[N@@H+]2CCO)c(N(C)C)n1 ZINC000836478723 594967905 /nfs/dbraw/zinc/96/79/05/594967905.db2.gz UMXNYWSOLRUFCH-CQSZACIVSA-N 2 0 335.452 1.424 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(-c3noc(C[NH2+]CC4CC4)n3)cn2)CC1 ZINC000843206555 595034360 /nfs/dbraw/zinc/03/43/60/595034360.db2.gz YUJXZNUWDOQKFH-UHFFFAOYSA-N 2 0 342.447 1.773 20 0 EDADRP C[NH+]1CCC2(CCCN(S(=O)(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC000867225282 595067299 /nfs/dbraw/zinc/06/72/99/595067299.db2.gz MHRGKIGALFHIML-UHFFFAOYSA-N 2 0 343.537 1.610 20 0 EDADRP C[C@@H]1[C@H](C(=O)Nc2ccc(C(=O)OC3CC[NH2+]CC3)cc2)CC[N@@H+]1C ZINC000843330474 595076168 /nfs/dbraw/zinc/07/61/68/595076168.db2.gz LDIYLRUHSDDTGA-CXAGYDPISA-N 2 0 345.443 1.874 20 0 EDADRP C[NH2+]C[C@@H]1CCCN([C@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000843347061 595082307 /nfs/dbraw/zinc/08/23/07/595082307.db2.gz SJRIRBMSNABATI-NEPJUHHUSA-N 2 0 331.420 1.527 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)C[N@H+](C)C2CCC([NH3+])CC2)c1 ZINC000843355068 595085433 /nfs/dbraw/zinc/08/54/33/595085433.db2.gz KYNAKGXNOSHQLN-UHFFFAOYSA-N 2 0 332.448 1.529 20 0 EDADRP CCN(CCO)CC[NH2+][C@H]1C[C@@H](C)CN(C(=O)OC(C)(C)C)C1 ZINC000843404668 595102237 /nfs/dbraw/zinc/10/22/37/595102237.db2.gz WVSNHFQFDCMCEA-CABCVRRESA-N 2 0 329.485 1.536 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cccc(C(N)=O)c2)cc1 ZINC000842471965 595113691 /nfs/dbraw/zinc/11/36/91/595113691.db2.gz JNRTYBXBUAAANY-KRWDZBQOSA-N 2 0 327.428 1.968 20 0 EDADRP COc1cc(C[N@H+](C)CCN2CC[NH2+]CC2)ccc1OC(=O)C1CC1 ZINC000843052937 595275809 /nfs/dbraw/zinc/27/58/09/595275809.db2.gz PHIBMYHVRIJLML-UHFFFAOYSA-N 2 0 347.459 1.348 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000844166901 595288927 /nfs/dbraw/zinc/28/89/27/595288927.db2.gz VMDOSJBECMLEKR-GOSISDBHSA-N 2 0 331.460 1.536 20 0 EDADRP O=C(CO[C@@H]1CCC[NH2+]C1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000844175653 595292486 /nfs/dbraw/zinc/29/24/86/595292486.db2.gz JDKVCPBIPCVAPX-GOSISDBHSA-N 2 0 337.508 1.916 20 0 EDADRP CN(C(=O)CO[C@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000844182148 595294475 /nfs/dbraw/zinc/29/44/75/595294475.db2.gz GAHIELFFVOJVKW-KRWDZBQOSA-N 2 0 335.448 1.358 20 0 EDADRP CN(C(=O)[C@@H]1C[NH2+]CCC1(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000844183147 595294894 /nfs/dbraw/zinc/29/48/94/595294894.db2.gz UJJKKQCPXJNBNR-HNNXBMFYSA-N 2 0 341.402 1.835 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000844189325 595297468 /nfs/dbraw/zinc/29/74/68/595297468.db2.gz LLFVOXKIQHKIEX-KRWDZBQOSA-N 2 0 325.497 1.629 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000846726225 595308254 /nfs/dbraw/zinc/30/82/54/595308254.db2.gz SSEQNIANCSEEJM-MRXNPFEDSA-N 2 0 340.512 1.071 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)o1 ZINC000848896102 595464415 /nfs/dbraw/zinc/46/44/15/595464415.db2.gz RXBGZFJNVUUEQT-IDTUSYRASA-N 2 0 335.448 1.439 20 0 EDADRP C[NH+](C)C1(CNC(=[NH2+])NCCCN2CCOCC2)CCCCCC1 ZINC000849053242 595475645 /nfs/dbraw/zinc/47/56/45/595475645.db2.gz PXFWSGLHKADOJT-UHFFFAOYSA-N 2 0 339.528 1.477 20 0 EDADRP C[C@@H]1CN(C(=[NH2+])NCc2ccccc2C[NH+]2CCC(O)CC2)CCO1 ZINC000849094813 595481008 /nfs/dbraw/zinc/48/10/08/595481008.db2.gz GZUBFWABMURRNM-OAHLLOKOSA-N 2 0 346.475 1.388 20 0 EDADRP CN(C[C@H]1CCC[N@H+](C)C1)C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849549746 595562397 /nfs/dbraw/zinc/56/23/97/595562397.db2.gz WNKZXMOAZJFNDF-RYQLBKOJSA-N 2 0 347.507 1.256 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1)[C@@H]1CCC[N@H+](C)C1 ZINC000849552415 595563740 /nfs/dbraw/zinc/56/37/40/595563740.db2.gz FVGFLHOHKUWSGF-IXDOHACOSA-N 2 0 333.480 1.008 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)[NH+]1CCCC1 ZINC000852854737 595576797 /nfs/dbraw/zinc/57/67/97/595576797.db2.gz OEYSSNZSVFXYJS-XJKSGUPXSA-N 2 0 346.431 1.052 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C2=NO[C@H](C[NH3+])C2)[NH+]2CCCC2)cc1 ZINC000852862629 595583348 /nfs/dbraw/zinc/58/33/48/595583348.db2.gz DXBGCGMHNHNCEZ-RDJZCZTQSA-N 2 0 330.432 1.352 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)[C@@H](C)C1 ZINC000849594338 595585197 /nfs/dbraw/zinc/58/51/97/595585197.db2.gz WWOMLOLJKWFASG-USXIJHARSA-N 2 0 333.480 1.008 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)C=C3CC[NH2+]CC3)CCCC2)CC1 ZINC000852866268 595585905 /nfs/dbraw/zinc/58/59/05/595585905.db2.gz DZKHGEBFSJXFSW-UHFFFAOYSA-N 2 0 335.492 1.836 20 0 EDADRP C[C@@H]1CC[N@H+](CCOc2ccc(NC(=O)C3=NO[C@@H](C[NH3+])C3)cc2)C1 ZINC000852872654 595591369 /nfs/dbraw/zinc/59/13/69/595591369.db2.gz PTHIEVNNKMFTJW-CZUORRHYSA-N 2 0 346.431 1.449 20 0 EDADRP Cc1nccn1-c1ccc([C@@H](C)NC(=O)C2=NO[C@H](C[NH3+])C2)cc1 ZINC000852872962 595591395 /nfs/dbraw/zinc/59/13/95/595591395.db2.gz UQCQXYSBNPVBKU-ABAIWWIYSA-N 2 0 327.388 1.462 20 0 EDADRP C[NH+]1CCN(c2cc(C[NH2+]C[C@H](O)c3ccccn3)ccn2)CC1 ZINC000853098748 595664053 /nfs/dbraw/zinc/66/40/53/595664053.db2.gz LYVHMHPEWULGPD-KRWDZBQOSA-N 2 0 327.432 1.052 20 0 EDADRP Cn1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(Br)n1 ZINC000858096978 595699108 /nfs/dbraw/zinc/69/91/08/595699108.db2.gz VRIASRIWIRSTPK-UHFFFAOYSA-N 2 0 344.301 1.300 20 0 EDADRP [NH3+]C[C@@H]1CCCN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000851672849 595879318 /nfs/dbraw/zinc/87/93/18/595879318.db2.gz IANCFVQNGDXTJR-IAOVAPTHSA-N 2 0 334.439 1.652 20 0 EDADRP C[C@@H](CCNC(=O)Nc1ccccc1N1CC[NH+](C)CC1)[NH+](C)C ZINC000853825373 595893058 /nfs/dbraw/zinc/89/30/58/595893058.db2.gz LNRZTSRPBDFAHP-HNNXBMFYSA-N 2 0 333.480 1.900 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](C[C@](O)(C(N)=O)c2ccccc2)CC1 ZINC000851727807 595900033 /nfs/dbraw/zinc/90/00/33/595900033.db2.gz XSZREWYLIRSPPF-LJQANCHMSA-N 2 0 333.476 1.413 20 0 EDADRP CCN1CC[NH+](CC[Si](C)(C)CC[NH+]2CCN(CC)CC2)CC1 ZINC000859063721 595966020 /nfs/dbraw/zinc/96/60/20/595966020.db2.gz NXEYDAWDBNBNQI-UHFFFAOYSA-N 2 0 340.632 1.970 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3cncn3C)C2)ccn1 ZINC000856584035 596021749 /nfs/dbraw/zinc/02/17/49/596021749.db2.gz CJSDNSBUBHPQDV-IBGZPJMESA-N 2 0 343.475 1.963 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@H]3CCOC3=O)C2)ccn1 ZINC000856590347 596024671 /nfs/dbraw/zinc/02/46/71/596024671.db2.gz SZPTUKBUGMAXTJ-MAUKXSAKSA-N 2 0 347.459 1.940 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@H]3CNC(=O)C3)C2)ccn1 ZINC000856605501 596032256 /nfs/dbraw/zinc/03/22/56/596032256.db2.gz CKMGWIBSFZHTBE-YJBOKZPZSA-N 2 0 346.475 1.511 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NC[C@H]1[NH2+]CCc3ccccc31)C2 ZINC000861643941 596055106 /nfs/dbraw/zinc/05/51/06/596055106.db2.gz QLQYSMNYXLBYAG-QRQLOZEOSA-N 2 0 328.460 1.514 20 0 EDADRP Cn1cc(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)c(Cl)n1 ZINC000856768107 596076757 /nfs/dbraw/zinc/07/67/57/596076757.db2.gz OVLUTZYDPGYMHQ-UHFFFAOYSA-N 2 0 348.882 1.770 20 0 EDADRP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861712662 596077191 /nfs/dbraw/zinc/07/71/91/596077191.db2.gz RJEZXBZNIPHRNM-BPQIPLTHSA-N 2 0 335.492 1.309 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c1ccsc1 ZINC000861754361 596090389 /nfs/dbraw/zinc/09/03/89/596090389.db2.gz FPOYGBIRIQYNRW-OCCSQVGLSA-N 2 0 340.493 1.053 20 0 EDADRP C[NH+](C)CCOCCNC(=O)c1cccc([C@@H]2CCC[N@H+](C)C2)c1 ZINC000857171232 596174774 /nfs/dbraw/zinc/17/47/74/596174774.db2.gz WGMXTEUANWJHBR-GOSISDBHSA-N 2 0 333.476 1.804 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)[C@H](O)c3cccnc3)CC2)CC1 ZINC000862018913 596184018 /nfs/dbraw/zinc/18/40/18/596184018.db2.gz GHYYFBNQYRCMBR-GOSISDBHSA-N 2 0 346.475 1.134 20 0 EDADRP COC(=O)/C=C/c1ccc(OCC[N@H+](C)CCN2CC[NH2+]CC2)cc1 ZINC000866659645 596283318 /nfs/dbraw/zinc/28/33/18/596283318.db2.gz QKTWEPBQPNPDEC-VMPITWQZSA-N 2 0 347.459 1.089 20 0 EDADRP Cc1ccc(OCC[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)cc1 ZINC000866706807 596302267 /nfs/dbraw/zinc/30/22/67/596302267.db2.gz DNRHBGDYZAQOJR-OIISXLGYSA-N 2 0 331.416 1.241 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)C[C@@H]1C[NH3+] ZINC000870946185 596415075 /nfs/dbraw/zinc/41/50/75/596415075.db2.gz QOVXSBIPYCLQEY-SCDSUCTJSA-N 2 0 340.265 1.892 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N2CCc3ccccc32)C[C@H]1C[NH+](C)C ZINC000867589057 596448400 /nfs/dbraw/zinc/44/84/00/596448400.db2.gz DRLDXAQZSTZLEP-IAGOWNOFSA-N 2 0 330.476 1.840 20 0 EDADRP [NH3+]C1(C[NH2+]C2CCN(C(=O)OCc3ccccc3)CC2)CCOCC1 ZINC000863541497 596613040 /nfs/dbraw/zinc/61/30/40/596613040.db2.gz MKMRFYPTINWWMH-UHFFFAOYSA-N 2 0 347.459 1.885 20 0 EDADRP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)C2(C(=O)OCC)CC[NH2+]CC2)C1 ZINC000863544062 596613717 /nfs/dbraw/zinc/61/37/17/596613717.db2.gz KDEAXCCTNVFSHN-HIFRSBDPSA-N 2 0 338.448 1.549 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000869761815 596620965 /nfs/dbraw/zinc/62/09/65/596620965.db2.gz AAJRMLZLWSDPFX-UHFFFAOYSA-N 2 0 337.508 1.678 20 0 EDADRP Cc1csc(CCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870019707 596711493 /nfs/dbraw/zinc/71/14/93/596711493.db2.gz MYLUWXIASDYNIS-HUUCEWRRSA-N 2 0 338.521 1.582 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)[C@@H]2CCOc3ccccc32)C[C@H]1C[NH+](C)C ZINC000870022106 596712478 /nfs/dbraw/zinc/71/24/78/596712478.db2.gz PQUUHZSPMYVSBF-JFIYKMOQSA-N 2 0 345.487 1.751 20 0 EDADRP COc1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1F ZINC000870024054 596713772 /nfs/dbraw/zinc/71/37/72/596713772.db2.gz IPLXEISDQZJNMS-HUUCEWRRSA-N 2 0 337.439 1.646 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)CSc2ccccc2)C[C@H]1C[NH+](C)C ZINC000870023833 596714062 /nfs/dbraw/zinc/71/40/62/596714062.db2.gz BTEXYPVOIKAYPV-HZPDHXFCSA-N 2 0 335.517 1.977 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cc3n(n2)CCN(C)C3)cc1 ZINC000868203811 596722205 /nfs/dbraw/zinc/72/22/05/596722205.db2.gz IFVIQHBQILPOFP-LBPRGKRZSA-N 2 0 328.420 1.670 20 0 EDADRP [NH3+][C@H]1C[C@H](CNC(=O)C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000868304496 596779368 /nfs/dbraw/zinc/77/93/68/596779368.db2.gz OUWIYUOBSKUQHC-WKILWMFISA-N 2 0 344.459 1.117 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000872245834 596852831 /nfs/dbraw/zinc/85/28/31/596852831.db2.gz FEQDNUNAAJLOGK-CQSZACIVSA-N 2 0 325.522 1.744 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](C[C@H]2CCOc3ccccc32)C1 ZINC000872256211 596856272 /nfs/dbraw/zinc/85/62/72/596856272.db2.gz QTGUJAIRPPFPQM-YQYZPQCESA-N 2 0 343.427 1.420 20 0 EDADRP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCN(CC(C)(C)O)C1 ZINC000866411363 596879397 /nfs/dbraw/zinc/87/93/97/596879397.db2.gz KNKWSUXJSLYKQU-CABCVRRESA-N 2 0 349.475 1.847 20 0 EDADRP CC[C@H]1C[C@@H](NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)CCO1 ZINC000875676547 596943529 /nfs/dbraw/zinc/94/35/29/596943529.db2.gz PLTTVJQHKBQPBD-NCOADZHNSA-N 2 0 340.512 1.325 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2C[C@@H](C[NH3+])[C@H](C(F)(F)F)C2)CCCC1 ZINC000874431756 597075543 /nfs/dbraw/zinc/07/55/43/597075543.db2.gz QZJXDMKWTUYKCO-VXGBXAGGSA-N 2 0 336.402 1.639 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000876517937 597227876 /nfs/dbraw/zinc/22/78/76/597227876.db2.gz HHBNJUGRUQXIMW-IBGZPJMESA-N 2 0 340.471 1.263 20 0 EDADRP c1c(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)sc2c1C[NH2+]CC2 ZINC000873207404 597227905 /nfs/dbraw/zinc/22/79/05/597227905.db2.gz AVNAGSXPCSHNDZ-OAHLLOKOSA-N 2 0 335.517 1.938 20 0 EDADRP [NH3+][C@H]1CC=C(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)C1 ZINC000876521843 597229262 /nfs/dbraw/zinc/22/92/62/597229262.db2.gz YOXYLNFKVBVCKA-UONOGXRCSA-N 2 0 329.400 1.581 20 0 EDADRP CCOC(=O)C1([C@@H](C)NC[C@H]2CCC(C)(C)C[NH2+]2)CC[NH2+]CC1 ZINC000873233986 597235307 /nfs/dbraw/zinc/23/53/07/597235307.db2.gz AQHGZHIEPJCNOA-HUUCEWRRSA-N 2 0 325.497 1.676 20 0 EDADRP CC[C@@H]1COCCN1CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000874996828 597236188 /nfs/dbraw/zinc/23/61/88/597236188.db2.gz OFLKXOBRTKESLL-OAHLLOKOSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@@H]1CCCCC12CC[NH2+]CC2 ZINC000873329241 597258195 /nfs/dbraw/zinc/25/81/95/597258195.db2.gz ULAUCYPRTMGGTF-OAHLLOKOSA-N 2 0 348.495 1.879 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCOC2CCCC2)C[C@H]1C[NH+](C)C ZINC000875124336 597291478 /nfs/dbraw/zinc/29/14/78/597291478.db2.gz RNYHXQYYTZOEPC-HZPDHXFCSA-N 2 0 340.512 1.326 20 0 EDADRP Cc1ccc2nc(CNC(=O)N3CC[C@@H]4[C@@H](CC[N@H+]4C)C3)cn2c1 ZINC000875133149 597295527 /nfs/dbraw/zinc/29/55/27/597295527.db2.gz YIPWAIJYPNSKAY-GOEBONIOSA-N 2 0 327.432 1.878 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC2(C1)C[NH+](Cc1ccccc1)C2 ZINC000875152970 597304779 /nfs/dbraw/zinc/30/47/79/597304779.db2.gz WMMWFPSRJMVNLC-QGZVFWFLSA-N 2 0 328.460 1.608 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000876752647 597321922 /nfs/dbraw/zinc/32/19/22/597321922.db2.gz VTOKOYPQIQBOGZ-MSOLQXFVSA-N 2 0 345.487 1.633 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000876762318 597328454 /nfs/dbraw/zinc/32/84/54/597328454.db2.gz FURUIYYXDGBVOL-IAGOWNOFSA-N 2 0 347.507 1.824 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000876768349 597331943 /nfs/dbraw/zinc/33/19/43/597331943.db2.gz HZLRJZKNYFLZPN-OWCLPIDISA-N 2 0 333.480 1.719 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000876771799 597333528 /nfs/dbraw/zinc/33/35/28/597333528.db2.gz ZAHJDCJODUVAOR-SJORKVTESA-N 2 0 345.491 1.674 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876782480 597338367 /nfs/dbraw/zinc/33/83/67/597338367.db2.gz SQKRVWCZUNNRET-UHFFFAOYSA-N 2 0 329.448 1.304 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)[C@]3(C)C[NH2+]CCO3)cc2)CC1 ZINC000876782724 597338631 /nfs/dbraw/zinc/33/86/31/597338631.db2.gz UGCCRKICNPGGGE-SFHVURJKSA-N 2 0 332.448 1.146 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000876834396 597353788 /nfs/dbraw/zinc/35/37/88/597353788.db2.gz PSBCNMNARKFYNB-UHFFFAOYSA-N 2 0 327.310 1.609 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000876849232 597358469 /nfs/dbraw/zinc/35/84/69/597358469.db2.gz YHZIVPKPBCMQRA-JSGCOSHPSA-N 2 0 329.366 1.556 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1(F)F ZINC000876862940 597361327 /nfs/dbraw/zinc/36/13/27/597361327.db2.gz XQHHUPIBNSRPJB-ZGKBOVNRSA-N 2 0 341.377 1.475 20 0 EDADRP Cc1nc(C2CC[NH2+]CC2)sc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866996 597363074 /nfs/dbraw/zinc/36/30/74/597363074.db2.gz ZVKDYMLEBQZPGU-LLVKDONJSA-N 2 0 344.431 1.646 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000876885110 597369160 /nfs/dbraw/zinc/36/91/60/597369160.db2.gz VIHSKKAFKZVAIS-CVEARBPZSA-N 2 0 333.480 1.672 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921299 597385795 /nfs/dbraw/zinc/38/57/95/597385795.db2.gz ASMFTWTWEWABJR-IRXDYDNUSA-N 3 0 348.466 1.044 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000876961786 597398378 /nfs/dbraw/zinc/39/83/78/597398378.db2.gz XDFMHTQKMJRVNN-HTBHXLFOSA-N 2 0 343.471 1.281 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)cc1 ZINC000876964859 597399652 /nfs/dbraw/zinc/39/96/52/597399652.db2.gz TWHTUDXTAWRGQD-HJWJTTGWSA-N 2 0 335.423 1.205 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)c3cnnn3C3CC[NH2+]CC3)CC2)CC1 ZINC000877191711 597457542 /nfs/dbraw/zinc/45/75/42/597457542.db2.gz CDOMAGMVJGBIDO-UHFFFAOYSA-N 2 0 346.479 1.151 20 0 EDADRP CCO[C@@H]1COCC[C@@H]1CC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877198961 597459390 /nfs/dbraw/zinc/45/93/90/597459390.db2.gz BDBHNWGEUDIWEY-GDBMZVCRSA-N 2 0 348.447 1.261 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000877201815 597460643 /nfs/dbraw/zinc/46/06/43/597460643.db2.gz RGOMQBCFUSLVFO-GOSISDBHSA-N 2 0 333.476 1.769 20 0 EDADRP Cc1ccccc1CN1CCO[C@H](CNC(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000877231750 597470634 /nfs/dbraw/zinc/47/06/34/597470634.db2.gz SIQUVRFXVUMSRX-IEBWSBKVSA-N 2 0 345.487 1.702 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCC[C@H]4[NH2+]CC[C@@H]43)cc2)CC1 ZINC000877283741 597486585 /nfs/dbraw/zinc/48/65/85/597486585.db2.gz QPASUKAAKRMQPV-MOPGFXCFSA-N 2 0 342.487 1.401 20 0 EDADRP O=C(N[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000877389627 597507570 /nfs/dbraw/zinc/50/75/70/597507570.db2.gz FFNSBZZHPQTXMH-SCTDSRPQSA-N 2 0 328.460 1.694 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@]34CCC[C@H]3[NH2+]CC4)cc2)CC1 ZINC000877391141 597507930 /nfs/dbraw/zinc/50/79/30/597507930.db2.gz NIXIPCREERNQLA-UYAOXDASSA-N 2 0 342.487 1.843 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2nccn2CC(F)(F)F)C[C@H]1C[NH+](C)C ZINC000877669437 597546349 /nfs/dbraw/zinc/54/63/49/597546349.db2.gz JKKNIRMSIHFOSJ-ZIAGYGMSSA-N 2 0 347.429 1.617 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2ccc3c(c2)NC(=O)CO3)C[C@H]1C[NH+](C)C ZINC000877669426 597546357 /nfs/dbraw/zinc/54/63/57/597546357.db2.gz IUKOQVXDTBBFHZ-HZPDHXFCSA-N 2 0 346.475 1.189 20 0 EDADRP Cc1nc2ccccn2c1CN1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000877669520 597546365 /nfs/dbraw/zinc/54/63/65/597546365.db2.gz NBZZOCSPXHUXFV-IAGOWNOFSA-N 2 0 329.492 1.814 20 0 EDADRP Cn1cc(CN2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C(F)F)n1 ZINC000877670391 597546535 /nfs/dbraw/zinc/54/65/35/597546535.db2.gz MNDAYYMPJIODOS-CHWSQXEVSA-N 2 0 329.439 1.529 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H]3CSC[C@@H]3C2)CC1 ZINC000879558326 597631551 /nfs/dbraw/zinc/63/15/51/597631551.db2.gz IRGAMDZJPJMSDX-CABCVRRESA-N 2 0 325.522 1.660 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)N1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC000881633632 597666582 /nfs/dbraw/zinc/66/65/82/597666582.db2.gz ZOAZCIQLLOTOGA-JKSUJKDBSA-N 2 0 332.448 1.087 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c2c(nn1C)CCSC2 ZINC000883165798 597673764 /nfs/dbraw/zinc/67/37/64/597673764.db2.gz MBSRJDCHLPLPMR-AWEZNQCLSA-N 2 0 339.553 1.571 20 0 EDADRP COC(=O)CN(C)C(=O)CC[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC000879702679 597694496 /nfs/dbraw/zinc/69/44/96/597694496.db2.gz URTIORHMGYLDFA-UHFFFAOYSA-N 2 0 341.496 1.308 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000883301848 597707467 /nfs/dbraw/zinc/70/74/67/597707467.db2.gz JVXABBLEIUMAQM-WBVHZDCISA-N 2 0 340.512 1.659 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CC(=O)N(CC3CC3)C2)[C@H](C)C1 ZINC000883394657 597730915 /nfs/dbraw/zinc/73/09/15/597730915.db2.gz DYUSSIKGWSDAMR-NJAFHUGGSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CCC[C@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)o1 ZINC000883435871 597745888 /nfs/dbraw/zinc/74/58/88/597745888.db2.gz FDKUMISHQSVKFT-HNNXBMFYSA-N 2 0 344.463 1.804 20 0 EDADRP CCc1noc(C)c1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000879026979 597791304 /nfs/dbraw/zinc/79/13/04/597791304.db2.gz ZEXUSXOUDSLQNF-ZIAGYGMSSA-N 2 0 337.468 1.749 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)C[C@H]1[NH3+] ZINC000883586384 597814326 /nfs/dbraw/zinc/81/43/26/597814326.db2.gz KQUUJKKUUHSABM-ZTFGCOKTSA-N 2 0 343.475 1.782 20 0 EDADRP CCC1([NH3+])CCN(C(=O)C(=O)Nc2cccc(-n3ccnc3)c2)CC1 ZINC000883629445 597836751 /nfs/dbraw/zinc/83/67/51/597836751.db2.gz VKTUVBRNMRPVNW-UHFFFAOYSA-N 2 0 341.415 1.541 20 0 EDADRP C[NH+]1CCC2(CC1)CC[NH+](CCCN1C(=O)NC(C)(C)C1=O)CC2 ZINC000879248319 597864060 /nfs/dbraw/zinc/86/40/60/597864060.db2.gz QZZXHVHUGQVOIT-UHFFFAOYSA-N 2 0 336.480 1.515 20 0 EDADRP COC(=O)[C@@H](NC(=O)C[NH+]1CCC2(CC[NH+](C)CC2)CC1)C(C)C ZINC000879250483 597864775 /nfs/dbraw/zinc/86/47/75/597864775.db2.gz GFIHHFRPGXPPDG-INIZCTEOSA-N 2 0 339.480 1.108 20 0 EDADRP CN(C)c1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1F ZINC000880919990 598031276 /nfs/dbraw/zinc/03/12/76/598031276.db2.gz DZJILDFSMXLBKP-UHFFFAOYSA-N 2 0 339.459 1.849 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000884219263 598032693 /nfs/dbraw/zinc/03/26/93/598032693.db2.gz LHFIVXIKDWAPMH-INIZCTEOSA-N 2 0 333.476 1.993 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000884223577 598035075 /nfs/dbraw/zinc/03/50/75/598035075.db2.gz TZZZEHVKHJMFOF-GDBMZVCRSA-N 2 0 325.497 1.613 20 0 EDADRP C[C@@H]1CCc2n[nH]cc2[C@@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000881019107 598053956 /nfs/dbraw/zinc/05/39/56/598053956.db2.gz GFPOKFOYACAFTH-ATNYBXOESA-N 2 0 347.507 1.273 20 0 EDADRP CC(C)[C@@H]([NH3+])C(C)(C)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000884453304 598109691 /nfs/dbraw/zinc/10/96/91/598109691.db2.gz LKJINIQPWZBLCF-BZUAXINKSA-N 3 0 326.529 1.194 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000916654393 696710579 /nfs/dbraw/zinc/71/05/79/696710579.db2.gz WSMGZRKHJHDYMK-MAUKXSAKSA-N 2 0 348.491 1.909 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)C2)o1 ZINC000995014316 699967028 /nfs/dbraw/zinc/96/70/28/699967028.db2.gz KTOJFYTXWODUGT-HOTGVXAUSA-N 2 0 346.475 1.986 20 0 EDADRP Cn1cncc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995014711 699968442 /nfs/dbraw/zinc/96/84/42/699968442.db2.gz MRKXTUPHLZXDDN-JKSUJKDBSA-N 2 0 345.491 1.423 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000914081390 695078421 /nfs/dbraw/zinc/07/84/21/695078421.db2.gz VPMCAZJILFTWPO-OWCLPIDISA-N 2 0 340.537 1.740 20 0 EDADRP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccon3)[C@@H]2C1)C1CCC1 ZINC000992719479 695235578 /nfs/dbraw/zinc/23/55/78/695235578.db2.gz ZPUKPUYUCXOBBK-BMGDILEWSA-N 2 0 346.475 1.876 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000914192058 695267744 /nfs/dbraw/zinc/26/77/44/695267744.db2.gz MLXQLJZYDMFVIM-UHFFFAOYSA-N 2 0 340.537 1.741 20 0 EDADRP CC[C@H](CN1CCOCC1)NC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000914243937 695303504 /nfs/dbraw/zinc/30/35/04/695303504.db2.gz XEUBAQZJXKJQFB-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000914411090 695392405 /nfs/dbraw/zinc/39/24/05/695392405.db2.gz DMMNKNCCUKCMOA-HOCLYGCPSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3ccns3)[C@@H]2C1 ZINC000992914918 695451143 /nfs/dbraw/zinc/45/11/43/695451143.db2.gz HKMOTLAURBWXCC-USXIJHARSA-N 2 0 348.516 1.956 20 0 EDADRP CC(C)(C(=O)N[C@@H]1CC[N@H+](CCC2CCOCC2)C1)[NH+]1CCCC1 ZINC001015497811 695545266 /nfs/dbraw/zinc/54/52/66/695545266.db2.gz GMVJKXAUEVGNSJ-QGZVFWFLSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CN(C(=O)c2cnn(CC[NH+](C)C)c2)CCN1c1cc[nH+]cc1 ZINC000915260617 695775181 /nfs/dbraw/zinc/77/51/81/695775181.db2.gz AHEMMMJURSTMEX-OAHLLOKOSA-N 2 0 342.447 1.191 20 0 EDADRP Cc1ncoc1CN1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)[C@@H]1C ZINC000993759022 696352064 /nfs/dbraw/zinc/35/20/64/696352064.db2.gz JZGRHCDKZKEXQP-HOCLYGCPSA-N 2 0 334.464 1.794 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCc1cnn(C)c1 ZINC000993759477 696352421 /nfs/dbraw/zinc/35/24/21/696352421.db2.gz LHSNJUIKJXPZCX-QAPCUYQASA-N 2 0 347.507 1.274 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1)C1CC1 ZINC000916117310 696623012 /nfs/dbraw/zinc/62/30/12/696623012.db2.gz LNMAYSSEANURQX-KRWDZBQOSA-N 2 0 333.480 1.858 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000352744723 697333266 /nfs/dbraw/zinc/33/32/66/697333266.db2.gz QEMDJKBZLKGQPN-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000925476612 697388809 /nfs/dbraw/zinc/38/88/09/697388809.db2.gz HLJCKTOWJWZVSM-HNNXBMFYSA-N 2 0 342.447 1.191 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1)C1CCC1 ZINC001031667014 697447903 /nfs/dbraw/zinc/44/79/03/697447903.db2.gz VNGOPXCSGVHBOD-ROUUACIJSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031667128 697448568 /nfs/dbraw/zinc/44/85/68/697448568.db2.gz ZBFXZOIZPBPHGI-OAHLLOKOSA-N 2 0 329.435 1.953 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CC(F)(F)C2)C1 ZINC001031667127 697448647 /nfs/dbraw/zinc/44/86/47/697448647.db2.gz ZBFXZOIZPBPHGI-HNNXBMFYSA-N 2 0 329.435 1.953 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1cccc(C(=O)OC[C@@H]2CCC[NH2+]2)c1 ZINC000237932385 698519135 /nfs/dbraw/zinc/51/91/35/698519135.db2.gz XIBRYHVEWDGUGF-HRCADAONSA-N 2 0 331.416 1.661 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C1 ZINC000941475730 701551597 /nfs/dbraw/zinc/55/15/97/701551597.db2.gz YDGZBDINISAVEB-UHFFFAOYSA-N 2 0 334.508 1.099 20 0 EDADRP O=C(NCC1C[NH+](C[C@@H]2CCCOC2)C1)C1CC[NH+](CC2CC2)CC1 ZINC001032118573 698991963 /nfs/dbraw/zinc/99/19/63/698991963.db2.gz KQZVIYFDIBBUSP-KRWDZBQOSA-N 2 0 349.519 1.583 20 0 EDADRP Cc1cccc(OCC[NH+]2CC(CNC(=O)[C@H]3CCCC[N@H+]3C)C2)c1 ZINC001031771780 699093508 /nfs/dbraw/zinc/09/35/08/699093508.db2.gz IKHMRIKVSOPYQM-LJQANCHMSA-N 2 0 345.487 1.906 20 0 EDADRP CO[C@H](C[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C)C1)c1ccccc1 ZINC001031776663 699168844 /nfs/dbraw/zinc/16/88/44/699168844.db2.gz LMXBKWVZZOIOKC-RTBURBONSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939128758 699207449 /nfs/dbraw/zinc/20/74/49/699207449.db2.gz PBKBQNNSKYCDSQ-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939129772 699227177 /nfs/dbraw/zinc/22/71/77/699227177.db2.gz ZHARRKBPPGBUTB-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CC2)C1 ZINC000941604413 701593731 /nfs/dbraw/zinc/59/37/31/701593731.db2.gz YXQOXXXXDOOCMZ-MJGOQNOKSA-N 2 0 348.535 1.488 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cnns1 ZINC000939394167 699544520 /nfs/dbraw/zinc/54/45/20/699544520.db2.gz BLNMGFVMDCXWCK-ZFWWWQNUSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C)cn1 ZINC000939397903 699547476 /nfs/dbraw/zinc/54/74/76/699547476.db2.gz NJMYQKBADOJWOB-MAUKXSAKSA-N 2 0 345.491 1.453 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@H](C)[C@H]([NH2+]Cc3cnn(C)c3)C2)CC1 ZINC000939452577 699584247 /nfs/dbraw/zinc/58/42/47/699584247.db2.gz AALSFPZIOSEUIC-MAUKXSAKSA-N 2 0 347.507 1.477 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)c3c[nH+]ccc3N(C)C)CC2)C1 ZINC000941640791 701600806 /nfs/dbraw/zinc/60/08/06/701600806.db2.gz CAMYOVVHSDZPOG-UHFFFAOYSA-N 2 0 345.491 1.246 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]CCc1ccccc1F ZINC000939549814 699673189 /nfs/dbraw/zinc/67/31/89/699673189.db2.gz DGLLVWQEJCLZRE-MAUKXSAKSA-N 2 0 345.462 1.901 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cc(F)ccc1F ZINC000939545803 699687954 /nfs/dbraw/zinc/68/79/54/699687954.db2.gz OWWFTPSOSDZOHA-GUYCJALGSA-N 2 0 349.425 1.997 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939551993 699701624 /nfs/dbraw/zinc/70/16/24/699701624.db2.gz VJDVOZQTDONQAJ-GUYCJALGSA-N 2 0 344.459 1.584 20 0 EDADRP Cc1nc[nH]c1CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000939627248 699765002 /nfs/dbraw/zinc/76/50/02/699765002.db2.gz RAFZTGFHIUZUJW-SCLBCKFNSA-N 2 0 342.443 1.390 20 0 EDADRP Cc1cccnc1C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165937 701614415 /nfs/dbraw/zinc/61/44/15/701614415.db2.gz FLBYLZORWJOAQL-DLBZAZTESA-N 2 0 342.487 1.860 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)c3cccc(C[NH+](C)C)c3)CC2)C1 ZINC000941674444 701614478 /nfs/dbraw/zinc/61/44/78/701614478.db2.gz BPDVYCODXJGIFY-UHFFFAOYSA-N 2 0 330.476 1.210 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]Cc1ccnn1C ZINC000939810545 699958904 /nfs/dbraw/zinc/95/89/04/699958904.db2.gz NNHUOUMDJFQTRK-WBVHZDCISA-N 2 0 333.480 1.233 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH2+]Cc2nncs2)CC1)C1CCC1 ZINC000940154492 700284471 /nfs/dbraw/zinc/28/44/71/700284471.db2.gz ZYAUZGRADTUXTA-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP Cn1nncc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995054476 700416783 /nfs/dbraw/zinc/41/67/83/700416783.db2.gz LZRJNCRNGJYLPN-GJZGRUSLSA-N 2 0 348.495 1.064 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2cncc(F)c2)CC1 ZINC000940329496 700508949 /nfs/dbraw/zinc/50/89/49/700508949.db2.gz UQTODALLUILCLW-YOEHRIQHSA-N 2 0 348.466 1.889 20 0 EDADRP COc1ccnc(C[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)c1 ZINC000940353429 700537151 /nfs/dbraw/zinc/53/71/51/700537151.db2.gz OHIIFCXCTRAXGQ-UHFFFAOYSA-N 2 0 343.431 1.527 20 0 EDADRP Cn1cncc1C[NH2+]C1(C)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000940426131 700619537 /nfs/dbraw/zinc/61/95/37/700619537.db2.gz GOUVXDZAXYOLBV-OAHLLOKOSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1(C)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000940426196 700619584 /nfs/dbraw/zinc/61/95/84/700619584.db2.gz JEFNVPFHHFTQTJ-INIZCTEOSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1C ZINC000940426308 700620241 /nfs/dbraw/zinc/62/02/41/700620241.db2.gz PCSNQQIMSYIKED-MRXNPFEDSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000940426272 700620254 /nfs/dbraw/zinc/62/02/54/700620254.db2.gz MQFGSBNERPQYPU-HNNXBMFYSA-N 2 0 334.464 1.796 20 0 EDADRP CC1([NH2+]Cc2cnns2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427541 700621651 /nfs/dbraw/zinc/62/16/51/700621651.db2.gz IPASEKNLZSWPDB-UHFFFAOYSA-N 2 0 335.477 1.105 20 0 EDADRP CC1([NH2+]Cc2cncc(F)c2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427924 700622177 /nfs/dbraw/zinc/62/21/77/700622177.db2.gz SIYXTUQFCFTDDY-UHFFFAOYSA-N 2 0 346.450 1.787 20 0 EDADRP CC1([NH2+]Cc2cnon2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC000940472047 700657196 /nfs/dbraw/zinc/65/71/96/700657196.db2.gz HBAQRTLSRARYTR-UHFFFAOYSA-N 2 0 335.452 1.416 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]Cc2cncn2C)CC1 ZINC000940472169 700657515 /nfs/dbraw/zinc/65/75/15/700657515.db2.gz LXNRYKWDODTTBM-IYBDPMFKSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1ccncc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457770 700661435 /nfs/dbraw/zinc/66/14/35/700661435.db2.gz SZKQLWWNXKGHDD-INIZCTEOSA-N 2 0 330.476 1.812 20 0 EDADRP COc1cccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000940457837 700661609 /nfs/dbraw/zinc/66/16/09/700661609.db2.gz XCRBBVAUIUTSFE-OAHLLOKOSA-N 2 0 346.475 1.513 20 0 EDADRP CCOC1CC(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)C1 ZINC000940461466 700664476 /nfs/dbraw/zinc/66/44/76/700664476.db2.gz CHXWERJONQDWCW-AQFXKWCLSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940461996 700665651 /nfs/dbraw/zinc/66/56/51/700665651.db2.gz VUWOVUNHZQFSQQ-KRWDZBQOSA-N 2 0 330.476 1.812 20 0 EDADRP CCc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)o1 ZINC000995078647 700671757 /nfs/dbraw/zinc/67/17/57/700671757.db2.gz KNJRJESNAVZJGS-HOCLYGCPSA-N 2 0 348.491 1.953 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]Cc3csnn3)C2)CC1 ZINC000995081662 700699572 /nfs/dbraw/zinc/69/95/72/700699572.db2.gz VWBLZZOJAVQMDJ-GXTWGEPZSA-N 2 0 337.493 1.254 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082702 700726503 /nfs/dbraw/zinc/72/65/03/700726503.db2.gz ZJESOGNFTBRKOP-ZFWWWQNUSA-N 2 0 335.452 1.094 20 0 EDADRP CCn1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995082812 700727059 /nfs/dbraw/zinc/72/70/59/700727059.db2.gz ZTRAPSQKFRWGRA-RDJZCZTQSA-N 2 0 347.507 1.619 20 0 EDADRP Cc1nonc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC(C)(C)C2)C1 ZINC000995099931 700886601 /nfs/dbraw/zinc/88/66/01/700886601.db2.gz BGGISJBSYGWKEI-GJZGRUSLSA-N 2 0 349.479 1.484 20 0 EDADRP CC[C@H](c1ccccc1)[NH+]1CC(CNC(=O)[C@@H]2CN(CC)CCO2)C1 ZINC001032197536 701695314 /nfs/dbraw/zinc/69/53/14/701695314.db2.gz NIOBJETWTDKRAG-MOPGFXCFSA-N 2 0 345.487 1.906 20 0 EDADRP CC1(C)C[N@H+](Cc2cncs2)CC[C@@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941167122 701378109 /nfs/dbraw/zinc/37/81/09/701378109.db2.gz RPLVRRRAJLQCCG-HNNXBMFYSA-N 2 0 348.516 1.956 20 0 EDADRP Cc1nocc1C[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C(C)(C)C1 ZINC000941216961 701403099 /nfs/dbraw/zinc/40/30/99/701403099.db2.gz IOAMSERSCUZXHM-HOCLYGCPSA-N 2 0 334.464 1.651 20 0 EDADRP CC[C@@H](C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1)OC ZINC000941221133 701411543 /nfs/dbraw/zinc/41/15/43/701411543.db2.gz LRIHDLSTTHXVCM-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](Cc3ncccn3)C[C@H]2CC1 ZINC000946518572 706604240 /nfs/dbraw/zinc/60/42/40/706604240.db2.gz XQUKXEIWXKBJCF-IXDOHACOSA-N 2 0 343.475 1.241 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCN(C2C[NH+](CC[C@@H](C)F)C2)CC1)[NH+](C)C ZINC000941444209 701536009 /nfs/dbraw/zinc/53/60/09/701536009.db2.gz JJRSBWKJFNZXPP-WBVHZDCISA-N 2 0 342.503 1.149 20 0 EDADRP CCC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000999185473 706614585 /nfs/dbraw/zinc/61/45/85/706614585.db2.gz KPDGHSHRSYPPAU-KURKYZTESA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(F)ccc1C[NH+]1CC(CNC(=O)C23CC[NH+](CC2)C3)C1 ZINC001032129895 701829363 /nfs/dbraw/zinc/82/93/63/701829363.db2.gz ACHFKDUUDYZARI-UHFFFAOYSA-N 2 0 331.435 1.778 20 0 EDADRP O=C(NCC1C[NH+](CCCC2CCOCC2)C1)C12CC[NH+](CC1)C2 ZINC001032130555 701844519 /nfs/dbraw/zinc/84/45/19/701844519.db2.gz UXJNKFMFYWFUAY-UHFFFAOYSA-N 2 0 335.492 1.337 20 0 EDADRP CO[C@@H](C)C[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001031979256 702054123 /nfs/dbraw/zinc/05/41/23/702054123.db2.gz UVLJIVHGFDRXLY-HNNXBMFYSA-N 2 0 333.476 1.487 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)C2)c1 ZINC001031978332 702081224 /nfs/dbraw/zinc/08/12/24/702081224.db2.gz RWPSGWVKTHLJLX-HNAYVOBHSA-N 2 0 345.487 1.579 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H](NCc3nc(C)no3)C(C)(C)C2)CC[N@@H+]1C ZINC000995825608 702097476 /nfs/dbraw/zinc/09/74/76/702097476.db2.gz OHMUIIBIKOCXDW-ZNMIVQPWSA-N 2 0 349.479 1.435 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001032206085 702128150 /nfs/dbraw/zinc/12/81/50/702128150.db2.gz RJPCWQBVIDUAPG-INIZCTEOSA-N 2 0 336.505 1.608 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cnc(C)cn3)C2)CC[N@@H+]1C ZINC000999200815 706644977 /nfs/dbraw/zinc/64/49/77/706644977.db2.gz PZAZOLZXUZKTQY-RYQLBKOJSA-N 2 0 345.491 1.596 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895626 702199229 /nfs/dbraw/zinc/19/92/29/702199229.db2.gz LWSLJDUIULBUSL-IRXDYDNUSA-N 2 0 345.491 1.452 20 0 EDADRP Cc1cnc(C[NH2+][C@@H]2CN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995902343 702210356 /nfs/dbraw/zinc/21/03/56/702210356.db2.gz HUHRLJWLLYNUQF-SJORKVTESA-N 2 0 345.491 1.452 20 0 EDADRP C[C@H]([NH2+][C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC1(C)C)c1cnccn1 ZINC000995915959 702276192 /nfs/dbraw/zinc/27/61/92/702276192.db2.gz HOFBLACCVAPQSU-WMLDXEAASA-N 2 0 345.491 1.849 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](C[C@H]3CCCC(F)(F)C3)C2)C1 ZINC001032185784 702308788 /nfs/dbraw/zinc/30/87/88/702308788.db2.gz CBYHOIPNZXZGRP-DZGCQCFKSA-N 2 0 329.435 1.812 20 0 EDADRP COc1cccc([C@@H](C)[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032186096 702314687 /nfs/dbraw/zinc/31/46/87/702314687.db2.gz IKVSKPIMXADSFJ-PBHICJAKSA-N 2 0 331.460 1.756 20 0 EDADRP Cc1cnc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000995972864 702357974 /nfs/dbraw/zinc/35/79/74/702357974.db2.gz FHYMJBWGFQRLHV-SJORKVTESA-N 2 0 345.491 1.596 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1[NH2+]CC1CCOCC1 ZINC000995993668 702371389 /nfs/dbraw/zinc/37/13/89/702371389.db2.gz CGXLXBPQRDAPAF-KRWDZBQOSA-N 2 0 349.519 1.868 20 0 EDADRP CC1(C)CN(C(=O)c2ccn(-c3cc[nH+]cc3)n2)C[C@H]1[NH2+]CCF ZINC000996043449 702461127 /nfs/dbraw/zinc/46/11/27/702461127.db2.gz UZEUQWALJQUYCL-OAHLLOKOSA-N 2 0 331.395 1.677 20 0 EDADRP CC(C)[C@H](C(=O)N1C[C@H]([NH2+]CCc2ccnn2C)C(C)(C)C1)[NH+](C)C ZINC000996246156 702649777 /nfs/dbraw/zinc/64/97/77/702649777.db2.gz KNQFYRZNKNYZDF-DLBZAZTESA-N 2 0 349.523 1.375 20 0 EDADRP Cc1nc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995211002 702682000 /nfs/dbraw/zinc/68/20/00/702682000.db2.gz MOBQCWBYOZBUIQ-HOTGVXAUSA-N 2 0 334.464 1.762 20 0 EDADRP CCn1ccc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC[C@@H]3C)CC2(C)C)n1 ZINC000996299929 702691106 /nfs/dbraw/zinc/69/11/06/702691106.db2.gz GWOYWJLZXACQFJ-RDJZCZTQSA-N 2 0 347.507 1.714 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]Cc3ccc(F)cn3)C(C)(C)C2)C1 ZINC000996302760 702694646 /nfs/dbraw/zinc/69/46/46/702694646.db2.gz YWJRLPHSYOAYCP-WMLDXEAASA-N 2 0 348.466 1.889 20 0 EDADRP CCc1cnc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C2)o1 ZINC000995214007 702716019 /nfs/dbraw/zinc/71/60/19/702716019.db2.gz QXJOJXHZMNWMAP-GJZGRUSLSA-N 2 0 334.464 1.707 20 0 EDADRP Cn1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)cn1 ZINC000996478681 702810412 /nfs/dbraw/zinc/81/04/12/702810412.db2.gz SWAHXNNSWPURKG-WMZOPIPTSA-N 2 0 345.491 1.375 20 0 EDADRP Cn1nccc1CC[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996512073 702831459 /nfs/dbraw/zinc/83/14/59/702831459.db2.gz ABVPQRTXJWGWTH-WBVHZDCISA-N 2 0 347.507 1.131 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000996559189 702873100 /nfs/dbraw/zinc/87/31/00/702873100.db2.gz CDYCTBWFHKZNLJ-LJQANCHMSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1ncoc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560994 702874824 /nfs/dbraw/zinc/87/48/24/702874824.db2.gz MQPLDBCICWHXBS-INIZCTEOSA-N 2 0 332.448 1.405 20 0 EDADRP CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000996610135 702921190 /nfs/dbraw/zinc/92/11/90/702921190.db2.gz YSPYXMNCYSXOTM-GDBMZVCRSA-N 2 0 348.491 1.966 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1cnccn1 ZINC000996688382 702985757 /nfs/dbraw/zinc/98/57/57/702985757.db2.gz IIQSGLJUMOUVAO-NVXWUHKLSA-N 2 0 345.491 1.993 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2ccc(F)cn2)CC1)[NH+](C)C ZINC000996689055 702986394 /nfs/dbraw/zinc/98/63/94/702986394.db2.gz RFPKBUVUPAVRCL-KRWDZBQOSA-N 2 0 336.455 1.888 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000996691022 702988106 /nfs/dbraw/zinc/98/81/06/702988106.db2.gz APKRIAMXHHMEIW-KRWDZBQOSA-N 2 0 333.480 1.452 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1)c1nncn1C ZINC000996691021 702988111 /nfs/dbraw/zinc/98/81/11/702988111.db2.gz RMWROYTYZUVFBQ-GDBMZVCRSA-N 2 0 348.495 1.331 20 0 EDADRP CCc1nnc(CNC2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000996692056 702989193 /nfs/dbraw/zinc/98/91/93/702989193.db2.gz VISCSMKRSIZVRL-HNNXBMFYSA-N 2 0 349.479 1.587 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000996710910 703005577 /nfs/dbraw/zinc/00/55/77/703005577.db2.gz HAYIEXYMGOTDHL-OAHLLOKOSA-N 2 0 336.484 1.109 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC000996711732 703006608 /nfs/dbraw/zinc/00/66/08/703006608.db2.gz KWBYSSHVHRNOQU-GXTWGEPZSA-N 2 0 337.468 1.614 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]CC[C@H]2CCCCO2)CC1)[NH+](C)C ZINC000996713479 703008627 /nfs/dbraw/zinc/00/86/27/703008627.db2.gz VJFCIKIHKISJKL-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1csnn1 ZINC000996720693 703014554 /nfs/dbraw/zinc/01/45/54/703014554.db2.gz DXSMYMDTQQJFQD-IUODEOHRSA-N 2 0 337.493 1.664 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N(Cc1cccnc1)C[C@@H]1CC[NH+](CCF)C1 ZINC000995257730 703017319 /nfs/dbraw/zinc/01/73/19/703017319.db2.gz LHWRERQCCIDQAN-QZTJIDSGSA-N 2 0 348.466 1.796 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1C[NH+](CC[C@@H]2CCCO2)C1 ZINC001032026391 703053511 /nfs/dbraw/zinc/05/35/11/703053511.db2.gz CUTIMHPQBROWLJ-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP CCc1cnc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)o1 ZINC000996771722 703062079 /nfs/dbraw/zinc/06/20/79/703062079.db2.gz SESVAHLUYNLVRJ-UHFFFAOYSA-N 2 0 346.475 1.946 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000996799810 703085569 /nfs/dbraw/zinc/08/55/69/703085569.db2.gz YYRIQEPMUUUHGF-UHFFFAOYSA-N 2 0 336.399 1.519 20 0 EDADRP Cc1ncoc1C[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000942597381 703111936 /nfs/dbraw/zinc/11/19/36/703111936.db2.gz KCPGQQCZUYGUCP-XJKSGUPXSA-N 2 0 334.464 1.651 20 0 EDADRP CC[N@@H+]1CC[C@@H](CN(Cc2cccnc2)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000995267461 703187471 /nfs/dbraw/zinc/18/74/71/703187471.db2.gz LIEUGRSNQFPNHM-QZTJIDSGSA-N 2 0 330.476 1.704 20 0 EDADRP O=C(NCC1C[NH+](CCOC2CCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032042371 703198560 /nfs/dbraw/zinc/19/85/60/703198560.db2.gz BKPPQRDTPAQAGO-SJLPKXTDSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(NCC1C[NH+](CCC2CCOCC2)C1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001032042416 703199830 /nfs/dbraw/zinc/19/98/30/703199830.db2.gz CPMXABJHFREYSM-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cncc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c1 ZINC000996946761 703213835 /nfs/dbraw/zinc/21/38/35/703213835.db2.gz PNGUUAVHJUZNGS-UHFFFAOYSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)cn1 ZINC000996997732 703254645 /nfs/dbraw/zinc/25/46/45/703254645.db2.gz GFDCBIQMDOMCBH-CVEARBPZSA-N 2 0 345.491 1.911 20 0 EDADRP C[C@H]1CC[C@@H](C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)O1 ZINC000997000224 703257128 /nfs/dbraw/zinc/25/71/28/703257128.db2.gz OELYPGIIUCGDNJ-RDJZCZTQSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000996996682 703259788 /nfs/dbraw/zinc/25/97/88/703259788.db2.gz YAWIHMZRMTXRHG-MRXNPFEDSA-N 2 0 330.476 1.955 20 0 EDADRP CC(C)n1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000997005295 703262451 /nfs/dbraw/zinc/26/24/51/703262451.db2.gz DHHWKBAHWGWRAY-MAUKXSAKSA-N 2 0 347.507 1.742 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC([NH2+]C[C@@H](O)c3ccccc3)CC2)C1 ZINC000997006477 703263818 /nfs/dbraw/zinc/26/38/18/703263818.db2.gz MDLPFWRBOVOZAX-VQIMIIECSA-N 2 0 345.487 1.642 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)s1 ZINC000997008615 703266740 /nfs/dbraw/zinc/26/67/40/703266740.db2.gz VTHQTCHOOPVHFL-ZDUSSCGKSA-N 2 0 336.505 1.874 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1cnccn1 ZINC000997008553 703266833 /nfs/dbraw/zinc/26/68/33/703266833.db2.gz VOVGXBBBGDMXTF-CABCVRRESA-N 2 0 331.464 1.460 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1 ZINC000997013211 703272796 /nfs/dbraw/zinc/27/27/96/703272796.db2.gz ZDHRGQNYGLMJRY-SUMWQHHRSA-N 2 0 334.439 1.499 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2ccn(C(C)C)n2)CC1)[NH+](C)C ZINC000997014612 703273813 /nfs/dbraw/zinc/27/38/13/703273813.db2.gz INGCTOVNAQPHAH-KRWDZBQOSA-N 2 0 335.496 1.885 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000997061881 703312718 /nfs/dbraw/zinc/31/27/18/703312718.db2.gz KINUMQHCSBHTFN-KRWDZBQOSA-N 2 0 349.479 1.722 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CC2)n1 ZINC000997090962 703328568 /nfs/dbraw/zinc/32/85/68/703328568.db2.gz CBAGZOMMSUTRNR-ZWKOTPCHSA-N 2 0 345.491 1.518 20 0 EDADRP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC([NH2+]CCn2cccn2)CC1 ZINC000997086309 703331818 /nfs/dbraw/zinc/33/18/18/703331818.db2.gz XWCASHHPDXOXEV-MSOLQXFVSA-N 2 0 345.491 1.481 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)o1 ZINC000997115608 703369632 /nfs/dbraw/zinc/36/96/32/703369632.db2.gz OODLBMKHNGWURC-AWEZNQCLSA-N 2 0 349.479 1.752 20 0 EDADRP CCn1ccc(C[NH2+]C2CCN(C(=O)C[NH+]3CCC(C)CC3)CC2)n1 ZINC000997116391 703370213 /nfs/dbraw/zinc/37/02/13/703370213.db2.gz YGOZQIUHMPFJFD-UHFFFAOYSA-N 2 0 347.507 1.716 20 0 EDADRP C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@](C)(c2ccccc2)[NH+](C)C)CC1 ZINC000997171396 703453348 /nfs/dbraw/zinc/45/33/48/703453348.db2.gz RKCDMWULYYSCTG-DNVCBOLYSA-N 2 0 333.476 1.425 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CC2CCOCC2)CC[N@@H+]1C ZINC001032413964 703466050 /nfs/dbraw/zinc/46/60/50/703466050.db2.gz VTNVLSNNENUKDX-XLAORIBOSA-N 2 0 335.492 1.428 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000997181491 703466231 /nfs/dbraw/zinc/46/62/31/703466231.db2.gz BBDCPEMTNPSDEA-INIZCTEOSA-N 2 0 330.476 1.812 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC000997185884 703474812 /nfs/dbraw/zinc/47/48/12/703474812.db2.gz GRTIZHWPFPDYAY-MRXNPFEDSA-N 2 0 335.492 1.478 20 0 EDADRP Cn1ncnc1C[NH2+]C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997185866 703475078 /nfs/dbraw/zinc/47/50/78/703475078.db2.gz SYUCYDZJEMCWRH-GOEBONIOSA-N 2 0 348.495 1.016 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187171 703476611 /nfs/dbraw/zinc/47/66/11/703476611.db2.gz WWWOAQUXERPDHW-OAHLLOKOSA-N 2 0 346.475 1.513 20 0 EDADRP O=C(N1CCC([NH2+]Cc2cncc(F)c2)CC1)C12CC[NH+](CC1)C2 ZINC000997195279 703492716 /nfs/dbraw/zinc/49/27/16/703492716.db2.gz UQQGTEKULYAVRQ-UHFFFAOYSA-N 2 0 332.423 1.397 20 0 EDADRP Cc1noc([C@H](C)N2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000997262793 703540737 /nfs/dbraw/zinc/54/07/37/703540737.db2.gz RIIBDJJYWZDUJS-DVOMOZLQSA-N 2 0 349.479 1.750 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC000997300734 703544211 /nfs/dbraw/zinc/54/42/11/703544211.db2.gz WRZYPOAQIDXJLP-MRXNPFEDSA-N 2 0 331.460 1.728 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3cc(C4CC4)no3)CC2)C1 ZINC000997298333 703556160 /nfs/dbraw/zinc/55/61/60/703556160.db2.gz IMDMMHTWBGCIGU-AWEZNQCLSA-N 2 0 332.448 1.584 20 0 EDADRP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC[NH+](CCCO)CC1 ZINC000997345851 703575486 /nfs/dbraw/zinc/57/54/86/703575486.db2.gz VYMGWTZAHUOWNT-MRXNPFEDSA-N 2 0 347.503 1.961 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nnc(C)[nH]2)CC1 ZINC000997366546 703600354 /nfs/dbraw/zinc/60/03/54/703600354.db2.gz GFHBWQXEJVPLOB-HNNXBMFYSA-N 2 0 334.468 1.068 20 0 EDADRP CC(C)(C)c1noc(CNC2CCN(C(=O)Cn3ccnc3)CC2)n1 ZINC000997412586 703668280 /nfs/dbraw/zinc/66/82/80/703668280.db2.gz GSARBQXCXSGBJZ-UHFFFAOYSA-N 2 0 346.435 1.344 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@@H]1CCOC1 ZINC001032500955 703817820 /nfs/dbraw/zinc/81/78/20/703817820.db2.gz MZBBXVVZOZGIGX-JLSDUUJJSA-N 2 0 340.427 1.660 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997614428 703913972 /nfs/dbraw/zinc/91/39/72/703913972.db2.gz QRUPARRXBKZFFE-WFASDCNBSA-N 2 0 335.452 1.361 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@H+]2C)CC1(C)C ZINC000995549830 703933769 /nfs/dbraw/zinc/93/37/69/703933769.db2.gz FYDYXONCTVYVJE-IRXDYDNUSA-N 2 0 330.476 1.811 20 0 EDADRP Cc1c(C(=O)N[C@@H](C)C2CC[NH+](C[C@@H](C)O)CC2)ccc2c[nH+]cn21 ZINC000997648234 703964047 /nfs/dbraw/zinc/96/40/47/703964047.db2.gz GUUHSHUXVJIKHL-KGLIPLIRSA-N 2 0 344.459 1.854 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)nn1C ZINC000995555153 703974034 /nfs/dbraw/zinc/97/40/34/703974034.db2.gz YOJKTMHQPHTEDP-CVEARBPZSA-N 2 0 333.480 1.149 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)C2CC([NH2+]Cc3ccn(C)n3)C2)CC[N@@H+]1C ZINC000999292945 706790150 /nfs/dbraw/zinc/79/01/50/706790150.db2.gz IWYDGNDLJCFMOV-JCAIJIATSA-N 2 0 333.480 1.229 20 0 EDADRP Cc1cncc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)c1 ZINC001033082291 704138940 /nfs/dbraw/zinc/13/89/40/704138940.db2.gz PWLFUSFQZHSEQQ-RBUKOAKNSA-N 2 0 342.487 1.765 20 0 EDADRP CCn1ccc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033093194 704169852 /nfs/dbraw/zinc/16/98/52/704169852.db2.gz YDBVWHYBKKZOIB-HYVNUMGLSA-N 2 0 333.480 1.276 20 0 EDADRP Cc1cncc(C[NH+]2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC001033095247 704181509 /nfs/dbraw/zinc/18/15/09/704181509.db2.gz VBWWGLJRFKMWBR-BPQIPLTHSA-N 2 0 330.476 1.763 20 0 EDADRP CC(C)[N@H+]1C[C@@H]2CCN(C(=O)c3ccn(CC[NH+](C)C)n3)CC[C@@H]2C1 ZINC000946597656 704292723 /nfs/dbraw/zinc/29/27/23/704292723.db2.gz DUNSZRZHPORULH-CALCHBBNSA-N 2 0 347.507 1.637 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NC2CC[NH+](C3CCC3)CC2)c1 ZINC000922769690 704328348 /nfs/dbraw/zinc/32/83/48/704328348.db2.gz ZDZZFFZVEAOOEI-UHFFFAOYSA-N 2 0 331.464 1.964 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([C@H]2CCC[NH+]2CCO)CC1 ZINC001004457486 704450762 /nfs/dbraw/zinc/45/07/62/704450762.db2.gz LDJHKONDCZCWMG-ZWKOTPCHSA-N 2 0 337.508 1.556 20 0 EDADRP Cc1oncc1C[NH2+]CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000997783073 704685217 /nfs/dbraw/zinc/68/52/17/704685217.db2.gz CRZHERSGDNSKNL-GOSISDBHSA-N 2 0 346.475 1.653 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)o1 ZINC000997783494 704693654 /nfs/dbraw/zinc/69/36/54/704693654.db2.gz FZQSGZLPMXSZEB-KRWDZBQOSA-N 2 0 346.475 1.653 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]C[C@@H]2CCCCO2)CC1 ZINC000997783991 704694567 /nfs/dbraw/zinc/69/45/67/704694567.db2.gz NHVJEHWXSIUWMT-RBUKOAKNSA-N 2 0 349.519 1.726 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000997829530 704748142 /nfs/dbraw/zinc/74/81/42/704748142.db2.gz AJBUVSSQYQAGFF-ZDUSSCGKSA-N 2 0 349.479 1.752 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)C1CCC1 ZINC000997831600 704749773 /nfs/dbraw/zinc/74/97/73/704749773.db2.gz VUXDUKJAIVXHLD-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000997837378 704755278 /nfs/dbraw/zinc/75/52/78/704755278.db2.gz ROMBDYNHOBPMBY-WMZOPIPTSA-N 2 0 349.519 1.868 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2C[C@H](O)C1CCCCC1 ZINC001032564857 704830297 /nfs/dbraw/zinc/83/02/97/704830297.db2.gz LGQDWSODNIRMRT-FJIDUMEYSA-N 2 0 335.492 1.307 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000997947282 705067462 /nfs/dbraw/zinc/06/74/62/705067462.db2.gz CRBCUYGGEWKKQE-QZTJIDSGSA-N 2 0 347.507 1.717 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCC(C[NH2+]Cc3ccnn3C)CC2)CC[N@@H+]1C ZINC000998005291 705163250 /nfs/dbraw/zinc/16/32/50/705163250.db2.gz UDKNPAQCIMBKAF-RDJZCZTQSA-N 2 0 347.507 1.479 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)N1CCC(C[NH2+]C[C@H]2CCOC2)CC1 ZINC000998015651 705193390 /nfs/dbraw/zinc/19/33/90/705193390.db2.gz JKUOCLARYQQIOK-MRXNPFEDSA-N 2 0 349.475 1.820 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)cn1 ZINC000998078262 705298994 /nfs/dbraw/zinc/29/89/94/705298994.db2.gz KQOYVRWKAIGVNZ-KBXCAEBGSA-N 2 0 345.491 1.311 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]Cc3cncn3C)CC2)C1 ZINC000998081225 705301312 /nfs/dbraw/zinc/30/13/12/705301312.db2.gz HEBSCLPHEZKXLN-HNNXBMFYSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1nn(C)cc1C[NH2+]CC1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000998081637 705302977 /nfs/dbraw/zinc/30/29/77/705302977.db2.gz KXOVAYVNJAYXNC-HNNXBMFYSA-N 2 0 347.507 1.541 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cccnc2)CC1 ZINC000998082660 705310286 /nfs/dbraw/zinc/31/02/86/705310286.db2.gz RYMMIWWZBRRQJQ-MRXNPFEDSA-N 2 0 330.476 1.894 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)Cc3cnc[nH]3)CC2)nc1 ZINC000998116464 705371352 /nfs/dbraw/zinc/37/13/52/705371352.db2.gz TYWVAVIHGOUPGM-UHFFFAOYSA-N 2 0 328.420 1.079 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[N@H+](CC[C@H]3CCCCO3)C2)CC1 ZINC001015898518 705420616 /nfs/dbraw/zinc/42/06/16/705420616.db2.gz FRJDRPNOWHVAIZ-ZWKOTPCHSA-N 2 0 337.508 1.868 20 0 EDADRP CCn1ccnc1C[NH2+]CC1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC000998216602 705539134 /nfs/dbraw/zinc/53/91/34/705539134.db2.gz IACIRHYVQMWEIX-KRWDZBQOSA-N 2 0 347.507 1.573 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2)cs1 ZINC000998265295 705632117 /nfs/dbraw/zinc/63/21/17/705632117.db2.gz KLMDLQCFNUEDCL-HNNXBMFYSA-N 2 0 336.505 1.731 20 0 EDADRP CCc1onc(C)c1C[NH2+]CC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000998266831 705635803 /nfs/dbraw/zinc/63/58/03/705635803.db2.gz RSAKOUAAZFDLRM-INIZCTEOSA-N 2 0 348.491 1.825 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000998286937 705677594 /nfs/dbraw/zinc/67/75/94/705677594.db2.gz MVPGLOXBVWKGKH-GASCZTMLSA-N 2 0 348.495 1.016 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C[NH2+]Cc2cncn2C)CC1 ZINC000998286111 705680241 /nfs/dbraw/zinc/68/02/41/705680241.db2.gz FSTHVUDMXVREMW-HOTGVXAUSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nnc(C[NH2+]CC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)[nH]1 ZINC000998286763 705682246 /nfs/dbraw/zinc/68/22/46/705682246.db2.gz LMMLZBIDCYYJJE-UHFFFAOYSA-N 2 0 348.495 1.317 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000998548955 705984935 /nfs/dbraw/zinc/98/49/35/705984935.db2.gz JKWDZAVTXMWUGX-KVULBXGLSA-N 2 0 332.448 1.725 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc3nonc3c2)C1 ZINC000998729094 706159772 /nfs/dbraw/zinc/15/97/72/706159772.db2.gz FQLNPTRGOLVQMZ-RHSMWYFYSA-N 2 0 343.431 1.398 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2cnn(C(C)(C)C)c2)C1 ZINC000998733850 706167398 /nfs/dbraw/zinc/16/73/98/706167398.db2.gz UQONELQCTRAWOA-DLBZAZTESA-N 2 0 347.507 1.813 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998763559 706202751 /nfs/dbraw/zinc/20/27/51/706202751.db2.gz NQGSXGHUVNJUED-OFLPRAFFSA-N 2 0 333.480 1.372 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000998867281 706296798 /nfs/dbraw/zinc/29/67/98/706296798.db2.gz PLZYRNOVYRLKPC-DAWZGUTISA-N 2 0 347.507 1.416 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145998 706559747 /nfs/dbraw/zinc/55/97/47/706559747.db2.gz TZUJKICQVBSDLC-HZPDHXFCSA-N 2 0 334.464 1.936 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CC2CC(F)(F)C2)C1 ZINC000999341505 706853063 /nfs/dbraw/zinc/85/30/63/706853063.db2.gz FYVFTZJVSMHZEX-UHFFFAOYSA-N 2 0 329.435 1.953 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ccn(C)n3)C2)C1 ZINC000999349837 706861879 /nfs/dbraw/zinc/86/18/79/706861879.db2.gz VKRONHHYTITRNW-AEFFLSMTSA-N 2 0 347.507 1.479 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000999350748 706863246 /nfs/dbraw/zinc/86/32/46/706863246.db2.gz AUYFNHOLBXUCSM-SJORKVTESA-N 2 0 347.507 1.764 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+](C)C)C1 ZINC000999379559 706873604 /nfs/dbraw/zinc/87/36/04/706873604.db2.gz ZKMDDBFVAWWEIM-RDJZCZTQSA-N 2 0 331.464 1.206 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]CCc2ccns2)C1)C1CCC1 ZINC000999372576 706886846 /nfs/dbraw/zinc/88/68/46/706886846.db2.gz CIQSKNIGFFTXLU-CQSZACIVSA-N 2 0 336.505 1.751 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)s1 ZINC000999401928 706909865 /nfs/dbraw/zinc/90/98/65/706909865.db2.gz BBJRNIIRNIOSBA-LRVUVFPRSA-N 2 0 336.505 1.872 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]CCC3CCOCC3)C2)C1 ZINC000999409838 706919946 /nfs/dbraw/zinc/91/99/46/706919946.db2.gz TZZXMJZXCNYFMP-FAEJEUNOSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC000999507930 707005146 /nfs/dbraw/zinc/00/51/46/707005146.db2.gz DTUVAGAEHDZCBE-UHFFFAOYSA-N 2 0 345.491 1.596 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)on1 ZINC000999511861 707010497 /nfs/dbraw/zinc/01/04/97/707010497.db2.gz MYCBIBLIQBHFSZ-HIFRSBDPSA-N 2 0 336.436 1.248 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000999515833 707015041 /nfs/dbraw/zinc/01/50/41/707015041.db2.gz YUIJIHVOMFMDON-NVXWUHKLSA-N 2 0 331.464 1.350 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999680829 707165503 /nfs/dbraw/zinc/16/55/03/707165503.db2.gz ASFUMNWPLFKPMR-FHERZECASA-N 2 0 348.491 1.966 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)C1CC([NH2+]Cc2cc(C3CC3)no2)C1 ZINC000999700822 707230718 /nfs/dbraw/zinc/23/07/18/707230718.db2.gz ZGQUXMVBXHBOOR-UHFFFAOYSA-N 2 0 344.459 1.727 20 0 EDADRP CN(C(=O)c1ccn(-c2cc[nH+]cc2)n1)[C@H]1CC[N@H+](CC2CC2)C1 ZINC001033255258 707244710 /nfs/dbraw/zinc/24/47/10/707244710.db2.gz IXQODGLHWBGGPZ-INIZCTEOSA-N 2 0 325.416 1.824 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]C[C@H]2CCOC2)C1 ZINC000999706434 707297410 /nfs/dbraw/zinc/29/74/10/707297410.db2.gz KEHHRGLJZBZTSL-GDBMZVCRSA-N 2 0 328.416 1.565 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999764395 707319002 /nfs/dbraw/zinc/31/90/02/707319002.db2.gz JQTDSUOZPHIFJI-VZDIDWBNSA-N 2 0 333.476 1.230 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001033199535 707449629 /nfs/dbraw/zinc/44/96/29/707449629.db2.gz UOFVCFKWXCVLMK-ROUUACIJSA-N 2 0 330.476 1.907 20 0 EDADRP CC(C)c1ocnc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000999832700 707463967 /nfs/dbraw/zinc/46/39/67/707463967.db2.gz VBGFTCTYKATILJ-WLYUNCDWSA-N 2 0 334.464 1.829 20 0 EDADRP C[C@H](NCc1cnn(C)n1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004876234 707541830 /nfs/dbraw/zinc/54/18/30/707541830.db2.gz HSUCROVBYYTUOG-WMLDXEAASA-N 2 0 348.495 1.159 20 0 EDADRP CC[N@H+]1C[C@@H]2CCN(C(=O)c3cnn(CC[NH+](C)C)c3)CC[C@@H]2C1 ZINC000946815875 707565954 /nfs/dbraw/zinc/56/59/54/707565954.db2.gz SRBARTIECNTKQY-IYBDPMFKSA-N 2 0 333.480 1.249 20 0 EDADRP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cn([C@@H]2CC[N@@H+](CCC)C2)nn1 ZINC000999985807 707656475 /nfs/dbraw/zinc/65/64/75/707656475.db2.gz FMPXSMPBQDOOEP-IAGOWNOFSA-N 2 0 348.495 1.426 20 0 EDADRP COCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001033365279 707659489 /nfs/dbraw/zinc/65/94/89/707659489.db2.gz LWDGZTMALFEBPB-ZWKOTPCHSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@H]([NH2+]Cc1nccn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004928548 707673783 /nfs/dbraw/zinc/67/37/83/707673783.db2.gz PZMSLKGXGUWLOP-DOTOQJQBSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N(C)[C@H]2CC[NH+](Cc3cccnc3)C2)CC[N@@H+]1C ZINC001033361075 707690299 /nfs/dbraw/zinc/69/02/99/707690299.db2.gz LJXHEMOIAHYMPT-SZMVWBNQSA-N 2 0 330.476 1.845 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H]1CC[NH+](Cc2ccc(CO)cc2)C1 ZINC001033417072 707798474 /nfs/dbraw/zinc/79/84/74/707798474.db2.gz UZVWLJVGRDNRRK-LPHOPBHVSA-N 2 0 345.487 1.696 20 0 EDADRP CCn1nncc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004988134 707844713 /nfs/dbraw/zinc/84/47/13/707844713.db2.gz AHNSNAMMLRZASD-DOTOQJQBSA-N 2 0 348.495 1.253 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033425379 707844787 /nfs/dbraw/zinc/84/47/87/707844787.db2.gz IVALMFXATYHUBJ-DLBZAZTESA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@H]([NH2+]Cc1cncn1C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983852 707866879 /nfs/dbraw/zinc/86/68/79/707866879.db2.gz SGICWNWAPKICJL-WBVHZDCISA-N 2 0 345.491 1.375 20 0 EDADRP CN1CCO[C@H](C(=O)N2CC[C@H]3C[N@@H+](CC4CCC4)C[C@H]3CC2)C1 ZINC000946536275 707894446 /nfs/dbraw/zinc/89/44/46/707894446.db2.gz IDDOJGFKQMPTLH-KSZLIROESA-N 2 0 335.492 1.288 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033474621 707964097 /nfs/dbraw/zinc/96/40/97/707964097.db2.gz ITPCROWPRYGKHT-ZWKOTPCHSA-N 2 0 337.508 1.820 20 0 EDADRP CCc1nc(C)c(CN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@H+](C)C2)o1 ZINC001032781529 707968896 /nfs/dbraw/zinc/96/88/96/707968896.db2.gz YPHNQIBYISWWSA-KKUMJFAQSA-N 2 0 332.448 1.282 20 0 EDADRP Cc1ncccc1C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001005180061 708123048 /nfs/dbraw/zinc/12/30/48/708123048.db2.gz QEGRXVVMPRAOCW-GOSISDBHSA-N 2 0 330.476 1.907 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001033591462 708289133 /nfs/dbraw/zinc/28/91/33/708289133.db2.gz CHDQZXDKGPBZIF-QGZVFWFLSA-N 2 0 328.460 1.519 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC001033594848 708297356 /nfs/dbraw/zinc/29/73/56/708297356.db2.gz RIIMPGIKJOBWKB-OAHLLOKOSA-N 2 0 348.516 1.888 20 0 EDADRP Cc1oncc1C[NH+]1CCC(CNC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835024 708361461 /nfs/dbraw/zinc/36/14/61/708361461.db2.gz UNSMAJBNNQYCTG-DYVFJYSZSA-N 2 0 334.464 1.509 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001001942671 708440956 /nfs/dbraw/zinc/44/09/56/708440956.db2.gz JHVXQVOLQMBARA-HNNXBMFYSA-N 2 0 333.476 1.571 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)s1 ZINC001033665078 708447607 /nfs/dbraw/zinc/44/76/07/708447607.db2.gz LFSYYMYHBCIBSA-CABCVRRESA-N 2 0 336.505 1.744 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033658770 708469444 /nfs/dbraw/zinc/46/94/44/708469444.db2.gz UHAGGDCTFDCEFW-ZWKOTPCHSA-N 2 0 337.508 1.556 20 0 EDADRP COc1cc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)ccc1C ZINC001033662205 708477142 /nfs/dbraw/zinc/47/71/42/708477142.db2.gz OWPHRPZOHLPBRK-MSOLQXFVSA-N 2 0 345.487 1.988 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H]2CCCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001002043519 708533983 /nfs/dbraw/zinc/53/39/83/708533983.db2.gz QORJQNPQODSBRH-QGZVFWFLSA-N 2 0 335.492 1.337 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C[C@@H](C)O)C2)o1 ZINC001033698980 708546794 /nfs/dbraw/zinc/54/67/94/708546794.db2.gz HLZSOTWFNIXSRG-CABCVRRESA-N 2 0 337.464 1.649 20 0 EDADRP CCc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)o1 ZINC001002125917 708641132 /nfs/dbraw/zinc/64/11/32/708641132.db2.gz MJTDSXMQNMSURF-INIZCTEOSA-N 2 0 348.491 1.825 20 0 EDADRP CCN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033908007 709040586 /nfs/dbraw/zinc/04/05/86/709040586.db2.gz WZKHXWLZBQKLPF-AGYKMIKPSA-N 2 0 347.503 1.573 20 0 EDADRP CCc1onc(C)c1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001034037628 709269146 /nfs/dbraw/zinc/26/91/46/709269146.db2.gz CUQFRXGSOKBEFP-JKSUJKDBSA-N 2 0 348.491 1.920 20 0 EDADRP COc1ccc(CN2CCCC[C@@H](NC(=O)[C@@H]3CCC[N@@H+]3C)C2)nn1 ZINC001034139143 709389153 /nfs/dbraw/zinc/38/91/53/709389153.db2.gz RHHZDIFZLSTVAU-ZBFHGGJFSA-N 2 0 347.463 1.050 20 0 EDADRP O=C(NC1CC[NH+](CCc2ccns2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002834373 709449636 /nfs/dbraw/zinc/44/96/36/709449636.db2.gz UAIJFIHCOXPBMM-KRWDZBQOSA-N 2 0 348.516 1.608 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001002859284 709466910 /nfs/dbraw/zinc/46/69/10/709466910.db2.gz OSGMIKWMVKKMHG-DLBZAZTESA-N 2 0 333.480 1.231 20 0 EDADRP COCC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001034289567 709712971 /nfs/dbraw/zinc/71/29/71/709712971.db2.gz VFZKGYCFXAVNGB-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP COC[C@@H](C)[N@@H+]1CCCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC001034309890 709752643 /nfs/dbraw/zinc/75/26/43/709752643.db2.gz PQVZQWKPCXBZGU-ZBFHGGJFSA-N 2 0 330.432 1.954 20 0 EDADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319117 709768589 /nfs/dbraw/zinc/76/85/89/709768589.db2.gz GRHKRHUCDAUGOO-NNVNDSJASA-N 2 0 349.519 1.866 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H](NC(=O)[C@@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319672 709769393 /nfs/dbraw/zinc/76/93/93/709769393.db2.gz KBNKBLHNSVKZFL-VIHIWDAPSA-N 2 0 335.492 1.620 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC2CCC2)C1)[C@@H]1C[NH+]2CC3CC2(C3)CO1 ZINC001034321553 709771947 /nfs/dbraw/zinc/77/19/47/709771947.db2.gz UYIPZXCVDNEKAC-NNVNDSJASA-N 2 0 347.503 1.620 20 0 EDADRP Cn1nccc1CC[N@@H+]1CCCC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001034375780 709870959 /nfs/dbraw/zinc/87/09/59/709870959.db2.gz FWQOFNFYGWHKNS-KRWDZBQOSA-N 2 0 347.507 1.275 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCCC[NH+](Cc3ccccn3)C2)C1 ZINC001034491592 710112543 /nfs/dbraw/zinc/11/25/43/710112543.db2.gz VTUCXJCMWSJRRR-SJLPKXTDSA-N 2 0 330.476 1.894 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034658240 710342846 /nfs/dbraw/zinc/34/28/46/710342846.db2.gz BUPPIHACNSSIRG-BFYDXBDKSA-N 2 0 348.495 1.207 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)CC1 ZINC001003547722 710414048 /nfs/dbraw/zinc/41/40/48/710414048.db2.gz LFRDWSLBLBPOMW-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](CCC[C@H]3CCOC3)CC2)C1 ZINC001003631138 710460423 /nfs/dbraw/zinc/46/04/23/710460423.db2.gz RKFLATWWRKMINZ-SJORKVTESA-N 2 0 337.508 1.726 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC001034674959 710626653 /nfs/dbraw/zinc/62/66/53/710626653.db2.gz VXFGJUZQNUWMCT-TUUVXOQKSA-N 2 0 348.495 1.675 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)CC2)nn1 ZINC001034703584 710813068 /nfs/dbraw/zinc/81/30/68/710813068.db2.gz COKQYRDUHSOJCR-SHTZXODSSA-N 2 0 348.495 1.207 20 0 EDADRP Cc1ncoc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC001034734016 710915777 /nfs/dbraw/zinc/91/57/77/710915777.db2.gz HAHSVWCKZRTWHX-FVQBIDKESA-N 2 0 334.464 1.842 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CC[C@@H](C)C3)CC2)ncn1 ZINC001034734711 710917454 /nfs/dbraw/zinc/91/74/54/710917454.db2.gz WAMLYHQXYNPCSZ-DJIMGWMZSA-N 2 0 345.491 1.644 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC001034736694 710923926 /nfs/dbraw/zinc/92/39/26/710923926.db2.gz AGKRBOFRICYPOH-MWQQHZPXSA-N 2 0 348.491 1.952 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001034739166 710932759 /nfs/dbraw/zinc/93/27/59/710932759.db2.gz YKZBHRXMERRFTB-QSPRXWTASA-N 2 0 345.491 1.500 20 0 EDADRP Cc1nc(CC[N@H+]2CC[C@@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)cs1 ZINC001032958442 710951396 /nfs/dbraw/zinc/95/13/96/710951396.db2.gz AFPPKFKYRSGFLX-CVEARBPZSA-N 2 0 336.505 1.621 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1)[NH+]1CCCCCC1 ZINC001034749556 710956975 /nfs/dbraw/zinc/95/69/75/710956975.db2.gz MCHCZCXSOAQUTB-BZUAXINKSA-N 2 0 349.479 1.851 20 0 EDADRP Cn1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034747709 710974845 /nfs/dbraw/zinc/97/48/45/710974845.db2.gz JNCVGIOGJGWOIA-WKILWMFISA-N 2 0 348.495 1.064 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001034777872 711057333 /nfs/dbraw/zinc/05/73/33/711057333.db2.gz LTOAJZBINBJZHP-QAQDUYKDSA-N 2 0 345.491 1.341 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001034796056 711115617 /nfs/dbraw/zinc/11/56/17/711115617.db2.gz CTQHUNXGYSJPBJ-UCNSEENLSA-N 2 0 349.479 1.768 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1)C(N)=O ZINC001034796238 711116319 /nfs/dbraw/zinc/11/63/19/711116319.db2.gz GMFUKDMWDYXKAX-JQFCIGGWSA-N 2 0 346.475 1.253 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnn(C)n2)CC1 ZINC001034796261 711116410 /nfs/dbraw/zinc/11/64/10/711116410.db2.gz GUCSZCVMVQXTSV-KLHDSHLOSA-N 2 0 348.495 1.205 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC001003969508 711117338 /nfs/dbraw/zinc/11/73/38/711117338.db2.gz XFHGNTGZXYUYNI-MRXNPFEDSA-N 2 0 330.476 1.812 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccn(C)n2)CC1 ZINC001034796542 711128577 /nfs/dbraw/zinc/12/85/77/711128577.db2.gz IMVVOXOWOCDAPU-DSPLQEQRSA-N 2 0 347.507 1.810 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001003974823 711134433 /nfs/dbraw/zinc/13/44/33/711134433.db2.gz LIISYIAJGXONFG-OAHLLOKOSA-N 2 0 348.491 1.968 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NC2CCN(Cc3cncc(F)c3)CC2)C1 ZINC001003968621 711139379 /nfs/dbraw/zinc/13/93/79/711139379.db2.gz RVQTYQDROYAFIZ-CQSZACIVSA-N 2 0 334.439 1.643 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cnc(Cl)s1 ZINC001034882735 711283827 /nfs/dbraw/zinc/28/38/27/711283827.db2.gz YZMDNVNLNHTDGQ-YPMHNXCESA-N 2 0 342.896 1.971 20 0 EDADRP CCN1CCO[C@H](C(=O)NC2CC[NH+](CC3CC4(CCC4)C3)CC2)C1 ZINC001004177759 711632123 /nfs/dbraw/zinc/63/21/23/711632123.db2.gz AKBZWBRLLQJVDI-SFHVURJKSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nc(CN2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@@H+](CC(C)C)C3)C2)co1 ZINC001033143722 711952893 /nfs/dbraw/zinc/95/28/93/711952893.db2.gz KKVQJKWTYUHRJB-SJLPKXTDSA-N 2 0 348.491 1.994 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CC[NH+](CCn2cncn2)C1 ZINC001033147145 712038365 /nfs/dbraw/zinc/03/83/65/712038365.db2.gz UEPGGPSYNKCIAR-SJORKVTESA-N 2 0 348.495 1.074 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](C[C@H](C)OC)C[C@H]2CC1)[NH+](C)C ZINC000946642396 712126810 /nfs/dbraw/zinc/12/68/10/712126810.db2.gz HXUIBGVTVTUGOF-MWDXBVQZSA-N 2 0 325.497 1.532 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000557670268 306232908 /nfs/dbraw/zinc/23/29/08/306232908.db2.gz USNUMOVLGVCTNR-HKUYNNGSSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2([NH+](C)C)CCOCC2)C1 ZINC000176217126 231599070 /nfs/dbraw/zinc/59/90/70/231599070.db2.gz VURXWVHHMQXWAN-HUUCEWRRSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC3(C)CC[NH2+]CC3)c2)CC1 ZINC000183316181 529774204 /nfs/dbraw/zinc/77/42/04/529774204.db2.gz WDAZHHZZYKTAQS-UHFFFAOYSA-N 2 0 344.503 1.554 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000183521070 529799468 /nfs/dbraw/zinc/79/94/68/529799468.db2.gz LMBUWTYXJMBZSO-UHFFFAOYSA-N 2 0 339.443 1.937 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000560709755 306277907 /nfs/dbraw/zinc/27/79/07/306277907.db2.gz LBKPPZRLLOJGEY-UHFFFAOYSA-N 2 0 345.443 1.595 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)c2ccccc2)CC1 ZINC000561155664 306283051 /nfs/dbraw/zinc/28/30/51/306283051.db2.gz INWAMVRMNMAHLJ-ZWKOTPCHSA-N 2 0 345.491 1.012 20 0 EDADRP C[C@H](NC(=O)NCCNc1cc[nH+]cc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358111336 299155402 /nfs/dbraw/zinc/15/54/02/299155402.db2.gz LPDUAXKZZKKSQR-HOTGVXAUSA-N 2 0 345.491 1.868 20 0 EDADRP C[C@H](NC(=O)NCCOCC[NH+](C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000471646231 299156336 /nfs/dbraw/zinc/15/63/36/299156336.db2.gz KTMKCGTVUNAKNT-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP Cc1cc(C)c(CNC(=O)N2C[C@@H](C)[C@@H](N3CCOCC3)C2)cn1 ZINC000334092790 539668027 /nfs/dbraw/zinc/66/80/27/539668027.db2.gz OXMFBPITNCZWNE-PBHICJAKSA-N 2 0 332.448 1.561 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000562805670 306309552 /nfs/dbraw/zinc/30/95/52/306309552.db2.gz KQXLBTULIKOQGY-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP CN(C(=O)c1ccnc(OCC[NH+](C)C)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358587424 539984931 /nfs/dbraw/zinc/98/49/31/539984931.db2.gz KAPVGAKLEJKSNC-INIZCTEOSA-N 2 0 332.448 1.331 20 0 EDADRP COCCC[NH+]1CCC([NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC1 ZINC000159044633 540003358 /nfs/dbraw/zinc/00/33/58/540003358.db2.gz KBCAJSDIOYOEHV-OAHLLOKOSA-N 2 0 344.463 1.814 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@H]4CCSC4)CC3)[C@H]2C1 ZINC000563390156 306331525 /nfs/dbraw/zinc/33/15/25/306331525.db2.gz OKUVJPUWFHNOGO-PVAVHDDUSA-N 2 0 337.533 1.757 20 0 EDADRP CC(C)C[C@H]([NH3+])C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000236677759 535315858 /nfs/dbraw/zinc/31/58/58/535315858.db2.gz LERWPZUESUUPRK-INIZCTEOSA-N 2 0 325.497 1.759 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccccc1 ZINC000563559292 306338831 /nfs/dbraw/zinc/33/88/31/306338831.db2.gz UFBBTPPYNSUXHD-MSOLQXFVSA-N 2 0 347.507 1.354 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(C)(CO)CO)CC1 ZINC000093502812 138293418 /nfs/dbraw/zinc/29/34/18/138293418.db2.gz BWXGUJVXYMXFEH-UHFFFAOYSA-N 2 0 335.492 1.251 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000130297446 138340701 /nfs/dbraw/zinc/34/07/01/138340701.db2.gz NGCBTBGEWDFMJS-HZPDHXFCSA-N 2 0 333.476 1.977 20 0 EDADRP O=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC[C@@H]1C[NH2+]CCO1 ZINC000563874829 306350895 /nfs/dbraw/zinc/35/08/95/306350895.db2.gz NOMVCRLPQKGFHI-UONOGXRCSA-N 2 0 338.477 1.173 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000564873060 306368181 /nfs/dbraw/zinc/36/81/81/306368181.db2.gz JDQJBFSUBGUTBL-VAMGGRTRSA-N 2 0 331.504 1.596 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccccc1F ZINC000424021036 283604009 /nfs/dbraw/zinc/60/40/09/283604009.db2.gz AMJFCLNUDLMTFC-FUHWJXTLSA-N 2 0 331.435 1.953 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1 ZINC000565354562 306382098 /nfs/dbraw/zinc/38/20/98/306382098.db2.gz OIAIOAGQRKBOHP-HOJAQTOUSA-N 3 0 347.503 1.956 20 0 EDADRP CCC[NH+]1CCC([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CC1 ZINC000414201649 304105896 /nfs/dbraw/zinc/10/58/96/304105896.db2.gz SUEQYGOBHIVWGA-UHFFFAOYSA-N 3 0 338.540 1.247 20 0 EDADRP C[C@@H](C[NH2+]Cc1cccc2c1OC(F)(F)O2)CN1CC[NH+](C)CC1 ZINC000414336189 304107799 /nfs/dbraw/zinc/10/77/99/304107799.db2.gz WCCWLCHSFVHVDL-ZDUSSCGKSA-N 2 0 341.402 1.981 20 0 EDADRP CN(C)c1ncc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1C ZINC000414341458 304108643 /nfs/dbraw/zinc/10/86/43/304108643.db2.gz VUEUFFHOIJORDW-UHFFFAOYSA-N 2 0 345.491 1.759 20 0 EDADRP C[NH+](C)CCN(C1CC1)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000414465062 304116940 /nfs/dbraw/zinc/11/69/40/304116940.db2.gz QWYYUQKIKHRVHR-UHFFFAOYSA-N 2 0 325.478 1.463 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cc(F)cc(F)c2)(N2CCOCC2)CC1 ZINC000414478145 304118033 /nfs/dbraw/zinc/11/80/33/304118033.db2.gz DGWIBMPTWHKQSF-UHFFFAOYSA-N 2 0 339.430 1.851 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414694248 304128428 /nfs/dbraw/zinc/12/84/28/304128428.db2.gz MZNDCUUVORBDIL-HKUYNNGSSA-N 2 0 344.503 1.390 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000414709128 304130763 /nfs/dbraw/zinc/13/07/63/304130763.db2.gz RAQLMZDMQVIWOE-AWEZNQCLSA-N 2 0 332.448 1.335 20 0 EDADRP COCC[NH2+]CCNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000414730701 304134020 /nfs/dbraw/zinc/13/40/20/304134020.db2.gz RXXWXWDKTBTZQO-UHFFFAOYSA-N 2 0 349.479 1.104 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000414740193 304135144 /nfs/dbraw/zinc/13/51/44/304135144.db2.gz JOCXUBHCPXUYIV-LSDHHAIUSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]1C[C@H](C[NH+]2CCN(CC(=O)Nc3ccccc3F)CC2)CC[NH2+]1 ZINC000414765212 304138584 /nfs/dbraw/zinc/13/85/84/304138584.db2.gz ZNBBQLNWSDEELU-HZPDHXFCSA-N 2 0 348.466 1.770 20 0 EDADRP COCCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414781534 304139992 /nfs/dbraw/zinc/13/99/92/304139992.db2.gz NEGUYPHVLPYJDD-ROUUACIJSA-N 2 0 332.492 1.986 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000414799707 304142118 /nfs/dbraw/zinc/14/21/18/304142118.db2.gz YPXSVHCXIRNURJ-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414827216 304145381 /nfs/dbraw/zinc/14/53/81/304145381.db2.gz GVTTZBXTLQMOMY-UONOGXRCSA-N 2 0 333.432 1.780 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)cc1 ZINC000414834509 304146187 /nfs/dbraw/zinc/14/61/87/304146187.db2.gz SJZWPKSZZKKNCH-BBRMVZONSA-N 2 0 344.459 1.778 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1cccc2c1OCCO2)N1CC[NH2+]CC1 ZINC000414994518 304149258 /nfs/dbraw/zinc/14/92/58/304149258.db2.gz VKKLZKLCHMQVCZ-AWEZNQCLSA-N 2 0 345.365 1.384 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000415077654 304158141 /nfs/dbraw/zinc/15/81/41/304158141.db2.gz HQNSVTJEAJXCCQ-WBVHZDCISA-N 2 0 330.476 1.443 20 0 EDADRP C[C@@]1(C[NH2+]Cc2cccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)c2)CC[NH2+]C1 ZINC000415090482 304158677 /nfs/dbraw/zinc/15/86/77/304158677.db2.gz OZJQCJLSIFGZFU-AZUAARDMSA-N 3 0 344.503 1.473 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH2+]CC3CC[NH2+]CC3)c2)C1 ZINC000415094459 304159108 /nfs/dbraw/zinc/15/91/08/304159108.db2.gz XNUAYMMIYZGCBM-IBGZPJMESA-N 3 0 344.503 1.473 20 0 EDADRP C[NH+](C)Cc1cc(C[NH2+]C[C@@H]2CCCN(C(=O)C[NH3+])C2)ccc1F ZINC000415108819 304160893 /nfs/dbraw/zinc/16/08/93/304160893.db2.gz PEDHZPLNEWULBT-HNNXBMFYSA-N 3 0 336.455 1.174 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NCC2CC[NH2+]CC2)C1 ZINC000415124135 304162064 /nfs/dbraw/zinc/16/20/64/304162064.db2.gz QKSJMGUTXHWAIV-QGZVFWFLSA-N 2 0 330.476 1.795 20 0 EDADRP Cc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415140009 304163565 /nfs/dbraw/zinc/16/35/65/304163565.db2.gz MOAWIMNXBFHCQX-QZTJIDSGSA-N 2 0 328.460 1.715 20 0 EDADRP CCN1C[C@H](C)N(C(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000415143307 304163841 /nfs/dbraw/zinc/16/38/41/304163841.db2.gz BTGMHQWKIOZASN-KGLIPLIRSA-N 2 0 344.459 1.212 20 0 EDADRP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415143211 304163980 /nfs/dbraw/zinc/16/39/80/304163980.db2.gz AMKHJUQUUNAMHS-IRXDYDNUSA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000415154988 304166753 /nfs/dbraw/zinc/16/67/53/304166753.db2.gz DZTUWTIYFPIXBV-UHFFFAOYSA-N 2 0 332.448 1.287 20 0 EDADRP Cc1c(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)nnn1C1CC[NH2+]CC1 ZINC000236632469 139027188 /nfs/dbraw/zinc/02/71/88/139027188.db2.gz KAHBDXWDHKQBIQ-OAHLLOKOSA-N 2 0 336.484 1.217 20 0 EDADRP CCCC[C@@H]([NH3+])C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000236740950 139030029 /nfs/dbraw/zinc/03/00/29/139030029.db2.gz XHIJVISIFIEBCE-GOSISDBHSA-N 2 0 332.492 1.832 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)C1 ZINC000237336186 139048394 /nfs/dbraw/zinc/04/83/94/139048394.db2.gz UBMXVDRQMOSKMY-SJORKVTESA-N 2 0 345.491 1.180 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(C)[C@H](C)[C@@H]2C)c1 ZINC000415179503 304171577 /nfs/dbraw/zinc/17/15/77/304171577.db2.gz JYPCJNGTUVIQQA-KGLIPLIRSA-N 2 0 332.448 1.286 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1[C@H](C)CCN(C(=O)OC(C)(C)C)[C@H]1C ZINC000497030848 284349879 /nfs/dbraw/zinc/34/98/79/284349879.db2.gz BSBVJNJTUIKIRI-QKPAOTATSA-N 2 0 343.512 1.923 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000237454049 139051716 /nfs/dbraw/zinc/05/17/16/139051716.db2.gz VRWGJLCTTDUJLK-LPHOPBHVSA-N 2 0 344.503 1.633 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@]1(N2CCOCC2)CCSC1)c1ccccc1 ZINC000237859768 139062146 /nfs/dbraw/zinc/06/21/46/139062146.db2.gz RFAFRLUDADVQRY-SJLPKXTDSA-N 2 0 349.500 1.401 20 0 EDADRP O=C(C[NH2+]C[C@H]1CCCO1)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000237931567 139064182 /nfs/dbraw/zinc/06/41/82/139064182.db2.gz PADCBKPCGICDQW-QZTJIDSGSA-N 2 0 331.460 1.536 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000245933439 139090355 /nfs/dbraw/zinc/09/03/55/139090355.db2.gz VEGFOKQOJDSCJQ-KZNAEPCWSA-N 2 0 325.497 1.017 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246640971 139116064 /nfs/dbraw/zinc/11/60/64/139116064.db2.gz BKLSLNVGXDATFY-RDJZCZTQSA-N 2 0 325.497 1.580 20 0 EDADRP CC(C)OC[C@H](O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000246786958 139121578 /nfs/dbraw/zinc/12/15/78/139121578.db2.gz ZTLOOQOFILTTEQ-ZHALLVOQSA-N 2 0 342.524 1.984 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NC(=O)NC[C@@H]1CCC[NH+]1C ZINC000246834491 139123559 /nfs/dbraw/zinc/12/35/59/139123559.db2.gz CQQJROVXGLOVQI-BPQIPLTHSA-N 2 0 345.491 1.685 20 0 EDADRP C[NH2+]CCNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415355865 304202497 /nfs/dbraw/zinc/20/24/97/304202497.db2.gz DSNMKNQECCUFGX-UHFFFAOYSA-N 2 0 332.448 1.193 20 0 EDADRP C[C@@H]([NH3+])CCNC(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415372222 304206846 /nfs/dbraw/zinc/20/68/46/304206846.db2.gz HCROQTLOAZVJJO-CQSZACIVSA-N 2 0 332.448 1.117 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(N4CCCC4)nc3)C2)CC1 ZINC000093132910 218196476 /nfs/dbraw/zinc/19/64/76/218196476.db2.gz MNLPEZNZFRNCTH-LJQANCHMSA-N 2 0 343.519 1.894 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCC[NH+]2CCCOCC2)[C@H]1c1ccccc1 ZINC000249192039 139188936 /nfs/dbraw/zinc/18/89/36/139188936.db2.gz OLFSPTPKFSNWLA-ZWKOTPCHSA-N 2 0 346.475 1.453 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249297725 139190778 /nfs/dbraw/zinc/19/07/78/139190778.db2.gz NAZUJBDRVRKKKA-IEBWSBKVSA-N 2 0 346.519 1.679 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261603871 139209868 /nfs/dbraw/zinc/20/98/68/139209868.db2.gz AIRMUCJEGRNWHB-DDBAPUKQSA-N 2 0 331.460 1.520 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000424470094 284794800 /nfs/dbraw/zinc/79/48/00/284794800.db2.gz AQWBWFVDLSPPQM-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261729181 139221168 /nfs/dbraw/zinc/22/11/68/139221168.db2.gz KTWZECALIRGLQI-ZFWWWQNUSA-N 2 0 340.265 1.833 20 0 EDADRP O=C(CC[NH+]1CCN(c2cccc(Cl)c2)CC1)N1CC[NH2+]CC1 ZINC000261779872 139225358 /nfs/dbraw/zinc/22/53/58/139225358.db2.gz RVICIFCUHDAYLI-UHFFFAOYSA-N 2 0 336.867 1.284 20 0 EDADRP [NH3+]C[C@H](NC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000415459297 304223393 /nfs/dbraw/zinc/22/33/93/304223393.db2.gz WFQJCPCUOTVUTR-KRWDZBQOSA-N 2 0 344.459 1.117 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCOCC2)[C@H]1c1cccs1 ZINC000261909285 139236063 /nfs/dbraw/zinc/23/60/63/139236063.db2.gz STHKJLLSDQEJHV-ZFWWWQNUSA-N 2 0 337.489 1.755 20 0 EDADRP [NH3+]C1(c2noc(CC[NH+]3CCN(c4ccccc4)CC3)n2)CCC1 ZINC000261914684 139236553 /nfs/dbraw/zinc/23/65/53/139236553.db2.gz JSHRGIZRIZRVAF-UHFFFAOYSA-N 2 0 327.432 1.772 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000261979767 139241484 /nfs/dbraw/zinc/24/14/84/139241484.db2.gz RFWFAUKVVODFPI-BHYGNILZSA-N 2 0 334.464 1.622 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCOc2ccc(Cl)cc2)C1 ZINC000261999480 139242899 /nfs/dbraw/zinc/24/28/99/139242899.db2.gz UXTCZFFUSWUGAP-ZDUSSCGKSA-N 2 0 325.840 1.506 20 0 EDADRP [NH3+][C@H](CC(=O)NC[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccccc1 ZINC000262046403 139246388 /nfs/dbraw/zinc/24/63/88/139246388.db2.gz QPFZBCRMXDCLEG-KGLIPLIRSA-N 2 0 344.381 1.029 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262111634 139251816 /nfs/dbraw/zinc/25/18/16/139251816.db2.gz URNCTGHXYAANRF-MOPGFXCFSA-N 2 0 342.487 1.157 20 0 EDADRP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262110077 139251679 /nfs/dbraw/zinc/25/16/79/139251679.db2.gz KEKLWSWIMGTDBV-AZUAARDMSA-N 2 0 345.487 1.724 20 0 EDADRP CC1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCCC[NH3+])cc2)CC1 ZINC000415558626 251011772 /nfs/dbraw/zinc/01/17/72/251011772.db2.gz FJCBWFSULVBJPD-UHFFFAOYSA-N 2 0 346.475 1.712 20 0 EDADRP CC[C@H]1CN(C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC[N@@H+]1CCOC ZINC000415992176 251044282 /nfs/dbraw/zinc/04/42/82/251044282.db2.gz AVHUEKSSIXKFIZ-RYUDHWBXSA-N 2 0 340.390 1.018 20 0 EDADRP CC[C@@H]1CN(C(=O)C2C[C@H]3CCC[C@@H](C2)C3[NH3+])CC[N@@H+]1C[C@@H](C)O ZINC000262302633 139268078 /nfs/dbraw/zinc/26/80/78/139268078.db2.gz BRKCRYOATVRYSN-IUTNDFCKSA-N 2 0 337.508 1.444 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000417004960 251127341 /nfs/dbraw/zinc/12/73/41/251127341.db2.gz IJMNQPFXOHBDFK-QZTJIDSGSA-N 2 0 332.492 1.991 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCNCC1(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000417023741 251137076 /nfs/dbraw/zinc/13/70/76/251137076.db2.gz WJGGWQIJLMQKMS-RDBSUJKOSA-N 2 0 332.439 1.651 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417420596 251168443 /nfs/dbraw/zinc/16/84/43/251168443.db2.gz KECIDWXRUGTREM-STQMWFEESA-N 2 0 337.443 1.285 20 0 EDADRP C[C@@H](C(=O)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C1C[NH2+]C1 ZINC000262364625 139273501 /nfs/dbraw/zinc/27/35/01/139273501.db2.gz KVAIEMDQKVSTNJ-BEFAXECRSA-N 2 0 345.487 1.404 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N2CCO[C@@H](C[NH3+])C2)C1 ZINC000417579524 251196855 /nfs/dbraw/zinc/19/68/55/251196855.db2.gz AUYLZPCCMCHSTI-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP COC[C@@]1(CNC(=O)NCCCCC[NH+]2CCCCC2)CCC[NH2+]1 ZINC000417704484 251236231 /nfs/dbraw/zinc/23/62/31/251236231.db2.gz LBAQFVGWEPXHPM-SFHVURJKSA-N 2 0 340.512 1.710 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)Cc2ccccc2C1 ZINC000417736439 251248144 /nfs/dbraw/zinc/24/81/44/251248144.db2.gz MPQKVDZMKICNLT-CRAIPNDOSA-N 2 0 344.503 1.902 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)NC[C@@H]2C[NH2+]CCCO2)CC1 ZINC000417830863 251288124 /nfs/dbraw/zinc/28/81/24/251288124.db2.gz BPDOEMNWTBHJSV-KRWDZBQOSA-N 2 0 340.512 1.422 20 0 EDADRP C[NH2+]C[C@@H](C)CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417830956 251288933 /nfs/dbraw/zinc/28/89/33/251288933.db2.gz BWJTYLHTDFUIGB-MRXNPFEDSA-N 2 0 340.512 1.424 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)Cc1ccc(F)cc1 ZINC000417833709 251289727 /nfs/dbraw/zinc/28/97/27/251289727.db2.gz UMOQJMHGRSOVTG-CVEARBPZSA-N 2 0 334.439 1.508 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000417792425 251273618 /nfs/dbraw/zinc/27/36/18/251273618.db2.gz KCLBLICHIJRQJR-ZIAGYGMSSA-N 2 0 330.423 1.547 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000417804962 251276446 /nfs/dbraw/zinc/27/64/46/251276446.db2.gz GZHXDXVAKKWLKB-GOEBONIOSA-N 2 0 326.485 1.302 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C[NH2+]1 ZINC000418104686 251322806 /nfs/dbraw/zinc/32/28/06/251322806.db2.gz KJZWYYUWMPMTFW-JFIYKMOQSA-N 2 0 330.476 1.900 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418108804 251324850 /nfs/dbraw/zinc/32/48/50/251324850.db2.gz SDWSEUOWZAPNJJ-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000418113859 251329510 /nfs/dbraw/zinc/32/95/10/251329510.db2.gz KFMXLSRGPRNCRW-JKSUJKDBSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000418434588 251370844 /nfs/dbraw/zinc/37/08/44/251370844.db2.gz FHELPYMGGDNELY-IAGOWNOFSA-N 2 0 339.528 1.171 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262528958 139284427 /nfs/dbraw/zinc/28/44/27/139284427.db2.gz MOMWQYREHBBTIM-HUUCEWRRSA-N 2 0 346.475 1.112 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCC2(SC)CC[NH+](C)CC2)CC1 ZINC000418198268 251354082 /nfs/dbraw/zinc/35/40/82/251354082.db2.gz LDLHZWXJRZIEME-UHFFFAOYSA-N 2 0 342.553 1.845 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)NC[C@H]1CN(C2CC2)CCO1 ZINC000418201548 251356951 /nfs/dbraw/zinc/35/69/51/251356951.db2.gz BBKQODDJKIEGGF-SFHVURJKSA-N 2 0 346.475 1.410 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC2CC[NH2+]CC2)cc1 ZINC000418306880 251357943 /nfs/dbraw/zinc/35/79/43/251357943.db2.gz KQZLYKIBWKEUAD-IRXDYDNUSA-N 2 0 332.448 1.192 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]C1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418318153 251359625 /nfs/dbraw/zinc/35/96/25/251359625.db2.gz NNDVUJLARAOETR-QRVBRYPASA-N 2 0 342.487 1.759 20 0 EDADRP C[NH2+]CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418321865 251360392 /nfs/dbraw/zinc/36/03/92/251360392.db2.gz CUPBZUANMUBPRM-ZWKOTPCHSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)N2CCO[C@H](C[NH+](C)C)C2)cc1 ZINC000418348944 251362107 /nfs/dbraw/zinc/36/21/07/251362107.db2.gz JMZMTDLENHIULO-MSOLQXFVSA-N 2 0 348.491 1.782 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1CCOC ZINC000418384417 251363764 /nfs/dbraw/zinc/36/37/64/251363764.db2.gz OHIWQNJTLJWUAG-SJORKVTESA-N 2 0 340.512 1.646 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418706114 251389708 /nfs/dbraw/zinc/38/97/08/251389708.db2.gz FDKXEKWJZLMCGH-AWEZNQCLSA-N 2 0 328.407 1.775 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000262623994 139291042 /nfs/dbraw/zinc/29/10/42/139291042.db2.gz FNIOCPMGJHVFHD-QZTJIDSGSA-N 2 0 347.503 1.922 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000262712827 139298294 /nfs/dbraw/zinc/29/82/94/139298294.db2.gz SDJADTANPALTIW-IBGZPJMESA-N 2 0 332.492 1.568 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000262883851 139310370 /nfs/dbraw/zinc/31/03/70/139310370.db2.gz NSVRJBWYOIHXHC-HNNXBMFYSA-N 2 0 341.496 1.280 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCN2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422868791 252004746 /nfs/dbraw/zinc/00/47/46/252004746.db2.gz WCBMSWSHZJGIIK-CVEARBPZSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]([NH2+]C[C@@H](CO)Cc1ccccc1Br)C1C[NH2+]C1 ZINC000423070955 252033746 /nfs/dbraw/zinc/03/37/46/252033746.db2.gz DQJIUHOKAUEBDX-RYUDHWBXSA-N 2 0 327.266 1.798 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423094466 252035973 /nfs/dbraw/zinc/03/59/73/252035973.db2.gz BXFIUTNUIGAIDS-JSGCOSHPSA-N 2 0 345.896 1.725 20 0 EDADRP COc1cc2c(cc1OC)CN(CC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C)CC2 ZINC000423485323 252055099 /nfs/dbraw/zinc/05/50/99/252055099.db2.gz ZCKKYOGJIOMIGB-UONOGXRCSA-N 2 0 347.459 1.258 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422905577 252018804 /nfs/dbraw/zinc/01/88/04/252018804.db2.gz ZHVKNAPAVHAPFE-LZWOXQAQSA-N 2 0 331.460 1.993 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@@H](C[NH3+])C(C)(C)C)CC2)c1 ZINC000423962502 252108565 /nfs/dbraw/zinc/10/85/65/252108565.db2.gz VEVVMLMQGZDAKZ-SFHVURJKSA-N 2 0 346.519 1.997 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2C[C@@H](c3ccccc3F)[C@H]([NH3+])C2)C1(C)C ZINC000424020878 252115951 /nfs/dbraw/zinc/11/59/51/252115951.db2.gz ADMJRKXUZLYFMG-PSLQGDIJSA-N 2 0 349.450 1.611 20 0 EDADRP CC(C)[NH+]1CCC(N(C)C(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000424143500 252141129 /nfs/dbraw/zinc/14/11/29/252141129.db2.gz ZOQOSECPTHIOIJ-HNNXBMFYSA-N 2 0 347.507 1.832 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424155691 252148081 /nfs/dbraw/zinc/14/80/81/252148081.db2.gz LGXLRNUJRCBTSC-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP [NH3+][C@H]1CCCC[C@H]1CC(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424222091 252167523 /nfs/dbraw/zinc/16/75/23/252167523.db2.gz IFQXDZHMXCVWST-BBRMVZONSA-N 2 0 331.464 1.557 20 0 EDADRP [NH3+]Cc1cc(NC(=O)c2n[nH]c3c2C[NH2+]CC3)cc(C(F)(F)F)c1 ZINC000262925072 139313158 /nfs/dbraw/zinc/31/31/58/139313158.db2.gz FONHTPWBEFNILS-UHFFFAOYSA-N 2 0 339.321 1.785 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303687 252194595 /nfs/dbraw/zinc/19/45/95/252194595.db2.gz OQDWMJMBEIDZSO-MAUKXSAKSA-N 3 0 337.483 1.893 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000262967876 139315925 /nfs/dbraw/zinc/31/59/25/139315925.db2.gz XGLDAZJKWZTTHR-GOSISDBHSA-N 2 0 346.475 1.521 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424469568 252243133 /nfs/dbraw/zinc/24/31/33/252243133.db2.gz QKBGFNMXAFJJTK-UHFFFAOYSA-N 2 0 348.491 1.973 20 0 EDADRP COCCN1CCC([NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358046396 285012111 /nfs/dbraw/zinc/01/21/11/285012111.db2.gz ZFSWRQIXROYBOM-IAGOWNOFSA-N 2 0 327.513 1.576 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000349904117 285022107 /nfs/dbraw/zinc/02/21/07/285022107.db2.gz PDWDLNLSOXEGHG-IAGOWNOFSA-N 2 0 338.496 1.367 20 0 EDADRP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[NH2+]C[C@H]2O)cc1Cl ZINC000263218349 139328889 /nfs/dbraw/zinc/32/88/89/139328889.db2.gz LJPSDSODTJLMES-YWPYICTPSA-N 2 0 325.840 1.535 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)ccn2)CC1 ZINC000112276680 220281606 /nfs/dbraw/zinc/28/16/06/220281606.db2.gz WGLCLFYIAXHJEG-OAHLLOKOSA-N 2 0 343.475 1.048 20 0 EDADRP CC(C)(C)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263727655 139356021 /nfs/dbraw/zinc/35/60/21/139356021.db2.gz MNECBSGBEADFBP-UHFFFAOYSA-N 2 0 333.480 1.939 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CCC3(CC[NH2+]C3)CC2)c1 ZINC000415759619 304266911 /nfs/dbraw/zinc/26/69/11/304266911.db2.gz FASVYOMWYMULNR-UHFFFAOYSA-N 2 0 344.459 1.289 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756860 224153264 /nfs/dbraw/zinc/15/32/64/224153264.db2.gz HNGUCFCQNQJQPO-AWEZNQCLSA-N 2 0 343.493 1.677 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000153756973 224153624 /nfs/dbraw/zinc/15/36/24/224153624.db2.gz HNGUCFCQNQJQPO-CQSZACIVSA-N 2 0 343.493 1.677 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCCOC(C)C ZINC000352227217 285244370 /nfs/dbraw/zinc/24/43/70/285244370.db2.gz LYBIKFCLGUYPTR-MRXNPFEDSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@H]1c1cnn(C)c1 ZINC000363195945 285246667 /nfs/dbraw/zinc/24/66/67/285246667.db2.gz JZPMBIDNCRPXQW-KZNAEPCWSA-N 2 0 347.507 1.398 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000491890664 255154135 /nfs/dbraw/zinc/15/41/35/255154135.db2.gz HSBMGVPVBYZKIZ-WAYWQWQTSA-N 2 0 325.403 1.973 20 0 EDADRP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000493979450 255229485 /nfs/dbraw/zinc/22/94/85/255229485.db2.gz ZXGBOOPBCFLHJB-NJAFHUGGSA-N 2 0 333.476 1.940 20 0 EDADRP COC[C@@H](C)[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494566758 255254075 /nfs/dbraw/zinc/25/40/75/255254075.db2.gz WWJIYGXNBSAOOY-QGZVFWFLSA-N 2 0 347.503 1.982 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)CC[C@@H]2CCC[NH2+]2)cc1 ZINC000494645074 255256319 /nfs/dbraw/zinc/25/63/19/255256319.db2.gz FGVNYYRXZLEWLA-KRWDZBQOSA-N 2 0 333.476 1.818 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC1CCN(C(=O)OC)CC1 ZINC000496305733 255378347 /nfs/dbraw/zinc/37/83/47/255378347.db2.gz ITYCOSMLPJPJRP-CQSZACIVSA-N 2 0 325.457 1.063 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)CNC(=O)OC(C)(C)C ZINC000496444152 255392707 /nfs/dbraw/zinc/39/27/07/255392707.db2.gz PGHNYYLFWZBCRV-CHWSQXEVSA-N 2 0 327.473 1.498 20 0 EDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119629549 221364222 /nfs/dbraw/zinc/36/42/22/221364222.db2.gz XYFHDODIZJYFTN-DLBZAZTESA-N 2 0 346.475 1.135 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000264272609 139392168 /nfs/dbraw/zinc/39/21/68/139392168.db2.gz WWSKVTHPNXSHDT-WBVHZDCISA-N 2 0 344.459 1.417 20 0 EDADRP CC[C@@](C)(O)CNC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000264310853 139396070 /nfs/dbraw/zinc/39/60/70/139396070.db2.gz QFJXKMIRCMLRBW-GOSISDBHSA-N 2 0 349.479 1.054 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@H]2CC[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000570827154 306551912 /nfs/dbraw/zinc/55/19/12/306551912.db2.gz KMDGDTDRGBPKAP-FUHWJXTLSA-N 2 0 346.475 1.883 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000270231144 140064084 /nfs/dbraw/zinc/06/40/84/140064084.db2.gz ANJQPESELHIIQF-BZSNNMDCSA-N 2 0 346.475 1.452 20 0 EDADRP C[NH2+]C(C)(C)CNC(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1C ZINC000270460072 140104127 /nfs/dbraw/zinc/10/41/27/140104127.db2.gz DEFNZDGLMUTXSV-UHFFFAOYSA-N 2 0 333.480 1.866 20 0 EDADRP C[C@H](CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1)[NH+](C)C ZINC000270907175 140195303 /nfs/dbraw/zinc/19/53/03/140195303.db2.gz UCAMYBLXCHPCPX-OAHLLOKOSA-N 2 0 333.476 1.571 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000272042074 140391535 /nfs/dbraw/zinc/39/15/35/140391535.db2.gz YEXLRLJXJBHGJG-QZTJIDSGSA-N 2 0 331.460 1.035 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)C[C@H](C)O1 ZINC000331450857 141031620 /nfs/dbraw/zinc/03/16/20/141031620.db2.gz SUJVHFNXFQHJIU-NNXHMXCWSA-N 2 0 338.496 1.255 20 0 EDADRP CSC1(CNC(=O)N2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)CC[NH+](C)CC1 ZINC000332304874 141159395 /nfs/dbraw/zinc/15/93/95/141159395.db2.gz LPSRFCOODCPOJD-KKUMJFAQSA-N 2 0 340.537 1.583 20 0 EDADRP C[C@H]1[NH2+]CCC[C@@H]1NC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000332556770 141202686 /nfs/dbraw/zinc/20/26/86/141202686.db2.gz SDPSZSOTSJLXNP-VZEFYGNVSA-N 2 0 334.439 1.792 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C[C@@H]1[NH3+] ZINC000333125495 141268132 /nfs/dbraw/zinc/26/81/32/141268132.db2.gz AZYTUHNIJQFYBV-CABCVRRESA-N 2 0 340.537 1.727 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000333160222 141273889 /nfs/dbraw/zinc/27/38/89/141273889.db2.gz GIZOSTFAZPMJCG-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP CC(=O)Nc1ccc(C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000333202405 141280706 /nfs/dbraw/zinc/28/07/06/141280706.db2.gz YFAMLWLYMMYDNO-MSOLQXFVSA-N 2 0 329.444 1.845 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccc2c(c1)C[NH2+]CCO2 ZINC000333344699 141302860 /nfs/dbraw/zinc/30/28/60/141302860.db2.gz QIGFRKMHJCGWSN-CZUORRHYSA-N 2 0 330.432 1.869 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[NH+](CC3CC3)CC2)C2CC3CC(C2)CC1C3 ZINC000333531027 141332384 /nfs/dbraw/zinc/33/23/84/141332384.db2.gz MEGAEHHPLHAVAM-UHFFFAOYSA-N 2 0 346.519 1.877 20 0 EDADRP Cn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000333653101 141350894 /nfs/dbraw/zinc/35/08/94/141350894.db2.gz ZIPGUIZBKAVFDJ-ZMSDIMECSA-N 2 0 345.491 1.443 20 0 EDADRP O=C(N[C@@H]1C[NH2+]C[C@H]1c1ccccc1)N1CCC2(CC[NH2+]C2)CC1 ZINC000333753328 141373498 /nfs/dbraw/zinc/37/34/98/141373498.db2.gz ZITGKGJKGCAICT-DLBZAZTESA-N 2 0 328.460 1.527 20 0 EDADRP C[C@H](CNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000333805450 141384701 /nfs/dbraw/zinc/38/47/01/141384701.db2.gz OSGAAGHHWFFCOT-ZWQIFLOQSA-N 2 0 342.487 1.812 20 0 EDADRP C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000333893777 141404580 /nfs/dbraw/zinc/40/45/80/141404580.db2.gz XTASRXURPWYHAO-NRSFXHEJSA-N 2 0 337.508 1.900 20 0 EDADRP CC(C)C[C@H]([NH3+])c1noc(-c2ccnc(N3CC[NH+](C)CC3)c2)n1 ZINC000339388348 142034186 /nfs/dbraw/zinc/03/41/86/142034186.db2.gz WPUNRKDTRQPMIA-AWEZNQCLSA-N 2 0 330.436 1.929 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1cn[nH]c1 ZINC000339861488 142180728 /nfs/dbraw/zinc/18/07/28/142180728.db2.gz QVSYZKFQTVFCLW-GDBMZVCRSA-N 2 0 336.484 1.528 20 0 EDADRP C(=C/CN1CC[NH+](C2CCC2)CC1)\CN1CC[NH+](C2CCC2)CC1 ZINC000340196029 142299361 /nfs/dbraw/zinc/29/93/61/142299361.db2.gz NTRKIHVXSOIOEO-OWOJBTEDSA-N 2 0 332.536 1.883 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+][C@H]2COC[C@@H]2O)CC1 ZINC000340284144 142329601 /nfs/dbraw/zinc/32/96/01/142329601.db2.gz KYIXHTFFQPIHMF-OWQGQXMQSA-N 2 0 337.439 1.378 20 0 EDADRP C[NH+](C)CCOc1cc(NC(=O)c2ccc3c[nH+]cn3c2)ccn1 ZINC000341431082 142561670 /nfs/dbraw/zinc/56/16/70/142561670.db2.gz KBIBKCZLPVDREG-UHFFFAOYSA-N 2 0 325.372 1.922 20 0 EDADRP COC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]CC1 ZINC000167390098 292084541 /nfs/dbraw/zinc/08/45/41/292084541.db2.gz DXVRCELSWKOXDC-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C[C@@H]1[NH+](C)C ZINC000344720248 143002743 /nfs/dbraw/zinc/00/27/43/143002743.db2.gz GKUNBTABDCIDNZ-XHSDSOJGSA-N 2 0 343.537 1.284 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CC[NH+](C[C@H](C)O)[C@@H](CC)C1 ZINC000345563488 143106235 /nfs/dbraw/zinc/10/62/35/143106235.db2.gz LWLWDROEARXYNI-HOTGVXAUSA-N 2 0 328.501 1.205 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]1CCOC1 ZINC000345894844 143144280 /nfs/dbraw/zinc/14/42/80/143144280.db2.gz YMRKSCUKFASFQN-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)c3cccc(N4CC[NH+](C)CC4)n3)C2)C1 ZINC000346319030 143191264 /nfs/dbraw/zinc/19/12/64/143191264.db2.gz LMIAMOGZAAQFJO-IBGZPJMESA-N 2 0 343.475 1.001 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000346571771 143217720 /nfs/dbraw/zinc/21/77/20/143217720.db2.gz WURTYUFAZIQZMR-HOCLYGCPSA-N 2 0 325.497 1.770 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCN2C[C@H]3CC[C@@H](C2)O3)[C@H](C)C1 ZINC000346575919 143218189 /nfs/dbraw/zinc/21/81/89/143218189.db2.gz VKUHJCNJGHYYFW-AKHDSKFASA-N 2 0 339.524 1.576 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000346960475 143266358 /nfs/dbraw/zinc/26/63/58/143266358.db2.gz HTWNVMFRPULQEZ-CABCVRRESA-N 2 0 325.497 1.770 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2ccc3c(c2)C[NH2+]C3)CC1 ZINC000347649680 143345487 /nfs/dbraw/zinc/34/54/87/143345487.db2.gz IMBTWZAHMFHZIN-UHFFFAOYSA-N 2 0 330.476 1.293 20 0 EDADRP C[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1ccc(OCC(F)(F)F)cc1 ZINC000572868608 306601918 /nfs/dbraw/zinc/60/19/18/306601918.db2.gz RUQFVYAXIMKABR-LBPRGKRZSA-N 2 0 345.365 1.710 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)[C@H](C)C1 ZINC000417669689 286060594 /nfs/dbraw/zinc/06/05/94/286060594.db2.gz MSMKHTMKVIPFHF-YVSFHVDLSA-N 2 0 340.512 1.502 20 0 EDADRP COc1cccc([C@H](CNC(=O)N[C@@H](C[NH3+])C2CC2)[NH+]2CCCC2)c1 ZINC000416861130 304352786 /nfs/dbraw/zinc/35/27/86/304352786.db2.gz WOPKTZPOPHYIPD-ROUUACIJSA-N 2 0 346.475 1.869 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)N[C@@H](C)CCCC[NH3+])C1 ZINC000418678514 286093434 /nfs/dbraw/zinc/09/34/34/286093434.db2.gz VRTMCESRTWFLRT-JYJNAYRXSA-N 2 0 326.485 1.399 20 0 EDADRP CC(C)[C@@H](CNC(=O)N[C@@H](C[NH3+])C1CCCC1)[NH+]1CCN(C)CC1 ZINC000416959977 304355147 /nfs/dbraw/zinc/35/51/47/304355147.db2.gz QIPTUZRSXUNUKO-DLBZAZTESA-N 2 0 339.528 1.075 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCC(C)(C)C[NH+]2CCCC2)[N@H+](C)C1 ZINC000348054221 286105669 /nfs/dbraw/zinc/10/56/69/286105669.db2.gz WYOKUMJNUKLGBN-CVEARBPZSA-N 2 0 340.512 1.469 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CCCC[C@@H]2C[NH3+])c1 ZINC000416974189 304358668 /nfs/dbraw/zinc/35/86/68/304358668.db2.gz KSBOILHFBNOATR-MRXNPFEDSA-N 2 0 334.464 1.650 20 0 EDADRP C[C@H]1CCN(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)C[C@@H]1C[NH3+] ZINC000416973707 304358786 /nfs/dbraw/zinc/35/87/86/304358786.db2.gz KDNUQWGGFNHURJ-HOTGVXAUSA-N 2 0 345.491 1.672 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]1CCCO)c1ccccc1 ZINC000354866706 150002685 /nfs/dbraw/zinc/00/26/85/150002685.db2.gz XCURPUGLEMGXJD-QZTJIDSGSA-N 2 0 333.476 1.642 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000355068854 150101959 /nfs/dbraw/zinc/10/19/59/150101959.db2.gz BCYMQRMYFGSSNI-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000369980218 155263695 /nfs/dbraw/zinc/26/36/95/155263695.db2.gz SQOMHYUYCIPGLY-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP C[NH2+]CCNC(=O)NCCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000417047196 304366158 /nfs/dbraw/zinc/36/61/58/304366158.db2.gz CRWMWADFOFWHAU-UHFFFAOYSA-N 2 0 347.507 1.416 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CN2CCCC2=O)[C@H](C)C1 ZINC000358014799 151235613 /nfs/dbraw/zinc/23/56/13/151235613.db2.gz DDHAIZYEYZMSIY-IKGGRYGDSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3C)C2)CC1 ZINC000370056990 155307373 /nfs/dbraw/zinc/30/73/73/155307373.db2.gz UGWINODSUDXOHW-IEBWSBKVSA-N 2 0 335.467 1.879 20 0 EDADRP COCC1(C[NH2+]Cc2ccc(OC)c(OC)c2OC)CC[NH2+]CC1 ZINC000414953004 292246053 /nfs/dbraw/zinc/24/60/53/292246053.db2.gz JDWQEZCVFLDRSH-UHFFFAOYSA-N 2 0 338.448 1.818 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417118790 304374288 /nfs/dbraw/zinc/37/42/88/304374288.db2.gz SCXHBADDSRFFSN-AWEZNQCLSA-N 2 0 326.510 1.351 20 0 EDADRP Cc1ccc([C@H](C[NH2+][C@@H]2CCOC[C@H]2[C@H](C)[NH3+])N2CCOCC2)cc1 ZINC000422711551 292255896 /nfs/dbraw/zinc/25/58/96/292255896.db2.gz NIDWEHKFXRKDKE-FFGOWVMKSA-N 2 0 347.503 1.710 20 0 EDADRP CC(CNC(=O)[C@H](C(C)C)[NH+](C)C)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000360648562 152137613 /nfs/dbraw/zinc/13/76/13/152137613.db2.gz IRXRIIJDCLTWGE-HOTGVXAUSA-N 2 0 342.528 1.027 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000360742807 152180416 /nfs/dbraw/zinc/18/04/16/152180416.db2.gz AUSNUIATXKAVIJ-ZBFHGGJFSA-N 2 0 328.526 1.549 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@@H](C)C1 ZINC000360893883 152243873 /nfs/dbraw/zinc/24/38/73/152243873.db2.gz PIURCPBYQKRKKO-CVEARBPZSA-N 2 0 342.528 1.593 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417150041 304378018 /nfs/dbraw/zinc/37/80/18/304378018.db2.gz JKGVLUYFXBQERW-KRWDZBQOSA-N 2 0 347.507 1.577 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+]([C@@H]3CCN(C4CC4)C3=O)CC2)C[C@H](C)O1 ZINC000361401016 152383441 /nfs/dbraw/zinc/38/34/41/152383441.db2.gz UPKBJYYIISVJFX-RVKKMQEKSA-N 2 0 335.492 1.571 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1)C1CC1 ZINC000417164403 304379613 /nfs/dbraw/zinc/37/96/13/304379613.db2.gz UNOVSXUDPYQHLC-QGZVFWFLSA-N 2 0 334.439 1.827 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCCC[NH3+])CC1)C[NH+]1CCCC1 ZINC000417164045 304379755 /nfs/dbraw/zinc/37/97/55/304379755.db2.gz TZVVFAODCXQYDE-HNNXBMFYSA-N 2 0 326.485 1.258 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]([NH3+])C2)N2CCOCC2)cc1 ZINC000417175699 304380275 /nfs/dbraw/zinc/38/02/75/304380275.db2.gz JUKJYNOCYKISNP-SJORKVTESA-N 2 0 332.448 1.111 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000417179481 304380999 /nfs/dbraw/zinc/38/09/99/304380999.db2.gz FUPSTFFKFIIKOR-BZSNNMDCSA-N 2 0 330.476 1.553 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000417181980 304381380 /nfs/dbraw/zinc/38/13/80/304381380.db2.gz RTZLYFPABMQLSH-SJLPKXTDSA-N 2 0 334.439 1.823 20 0 EDADRP C[C@H](N[C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C(=O)Nc1ncccn1 ZINC000363708464 153035516 /nfs/dbraw/zinc/03/55/16/153035516.db2.gz SUEYGCZZJQITGS-QKPAOTATSA-N 2 0 347.463 1.283 20 0 EDADRP COc1cccc([C@H](C)N2CCN(C(=O)[C@H]3C[C@]34CC[NH2+]C4)CC2)c1 ZINC000363750776 153046363 /nfs/dbraw/zinc/04/63/63/153046363.db2.gz WILFHYAADZFLEF-CVAIRZPRSA-N 2 0 343.471 1.900 20 0 EDADRP CC[C@@]1(CO)CCCN1C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363881719 153083432 /nfs/dbraw/zinc/08/34/32/153083432.db2.gz COSHIXQJIVMYIN-QAPCUYQASA-N 2 0 338.496 1.101 20 0 EDADRP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000363948052 153105641 /nfs/dbraw/zinc/10/56/41/153105641.db2.gz PWCFGXAMPPCDNR-GOEBONIOSA-N 2 0 330.432 1.038 20 0 EDADRP C[C@H](CNC(=O)NCCC[NH2+]Cc1cccnc1)C[NH+]1CCCCC1 ZINC000417194516 304383110 /nfs/dbraw/zinc/38/31/10/304383110.db2.gz PFMRUKJZPKPMCM-QGZVFWFLSA-N 2 0 347.507 1.983 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000364574905 153276027 /nfs/dbraw/zinc/27/60/27/153276027.db2.gz AIZJVNLJJPMWCP-UYAOXDASSA-N 2 0 343.471 1.259 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000364740303 153319756 /nfs/dbraw/zinc/31/97/56/153319756.db2.gz QUZHXPDFRLNXGG-HOTGVXAUSA-N 2 0 331.460 1.984 20 0 EDADRP CCCCNC(=O)[C@H](C)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000364941292 153378149 /nfs/dbraw/zinc/37/81/49/153378149.db2.gz FSCMMMPXHFLHIW-KRWDZBQOSA-N 2 0 338.540 1.641 20 0 EDADRP C[N@H+](CCNC(=O)N1CCC(OCCC[NH3+])CC1)Cc1ccccc1 ZINC000417233746 304386596 /nfs/dbraw/zinc/38/65/96/304386596.db2.gz SLEYUFWMFMPXLL-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000366045403 153698812 /nfs/dbraw/zinc/69/88/12/153698812.db2.gz RVKYIUPQEOMWSE-AWEZNQCLSA-N 2 0 329.448 1.928 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000366465191 153824594 /nfs/dbraw/zinc/82/45/94/153824594.db2.gz OYKHZRJNAIUMHV-ABHNRTSZSA-N 2 0 337.508 1.913 20 0 EDADRP CC(=O)NCCCN1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000367143493 154020810 /nfs/dbraw/zinc/02/08/10/154020810.db2.gz IURQZZFEYPWAQM-FQEVSTJZSA-N 2 0 344.503 1.405 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)cc1 ZINC000367667806 154222144 /nfs/dbraw/zinc/22/21/44/154222144.db2.gz DQTRATBNUKNNEK-UHFFFAOYSA-N 2 0 344.503 1.506 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)C2)C1 ZINC000367851280 154298640 /nfs/dbraw/zinc/29/86/40/154298640.db2.gz UXLLZRWJHIVQJS-GOSISDBHSA-N 2 0 330.432 1.142 20 0 EDADRP CCCN(C(=O)NCc1ccccc1OCC[NH+](C)C)[C@@H]1CC[NH2+]C1 ZINC000417372789 304395328 /nfs/dbraw/zinc/39/53/28/304395328.db2.gz XMNSEDOPQJAKJW-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CC1(C)NC(=O)N(CCC[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)C1=O ZINC000369600204 155106799 /nfs/dbraw/zinc/10/67/99/155106799.db2.gz IVLQFJJCCDPSFH-QLFBSQMISA-N 2 0 334.464 1.123 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC[NH+](CCCOC)CC2)C1 ZINC000369659822 155122446 /nfs/dbraw/zinc/12/24/46/155122446.db2.gz XUBFYSSBNXEWST-QGZVFWFLSA-N 2 0 340.512 1.472 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000417476063 304398654 /nfs/dbraw/zinc/39/86/54/304398654.db2.gz CGFCODQOFGBKEA-QAPCUYQASA-N 2 0 348.491 1.814 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCCN1Cc1ccccn1)C1=CC[N@H+](C)CC1 ZINC000371582381 156014940 /nfs/dbraw/zinc/01/49/40/156014940.db2.gz VAJXLJMVEWRUFB-CRAIPNDOSA-N 2 0 328.460 1.813 20 0 EDADRP Cc1nccn1CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000372163695 156250803 /nfs/dbraw/zinc/25/08/03/156250803.db2.gz IBOUPTDNSKPNDD-QGZVFWFLSA-N 2 0 334.464 1.683 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H]1CN2CCCC[C@@H]2CO1 ZINC000372342451 156343684 /nfs/dbraw/zinc/34/36/84/156343684.db2.gz SZALZSNBMGAUHF-SIXLDLHFSA-N 2 0 336.480 1.022 20 0 EDADRP COc1ccc([C@H]2CC[NH2+]C[C@H]2NC(=O)[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000373515268 156881682 /nfs/dbraw/zinc/88/16/82/156881682.db2.gz LTQSNGCZHCRWLV-OXXUSNJHSA-N 2 0 331.460 1.645 20 0 EDADRP O=C(NCCC[NH+]1CCCCCC1)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000575127097 306665306 /nfs/dbraw/zinc/66/53/06/306665306.db2.gz YQWYYMZWGPGCLF-OAHLLOKOSA-N 2 0 334.468 1.026 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1)[C@@H](C)[NH3+] ZINC000575177737 306666197 /nfs/dbraw/zinc/66/61/97/306666197.db2.gz UREUYTAJBNTKTF-RHSMWYFYSA-N 2 0 333.480 1.069 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)NCC(C)(C)CCCO)C2)CC1 ZINC000374471933 157301946 /nfs/dbraw/zinc/30/19/46/157301946.db2.gz OCPWZELQAOZQIH-HNNXBMFYSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccn2)CC1 ZINC000374595849 157340067 /nfs/dbraw/zinc/34/00/67/157340067.db2.gz QBIKLAQLKITJEY-GVDBMIGSSA-N 2 0 343.475 1.033 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCCN(Cc2cscn2)CC1 ZINC000378159024 158096168 /nfs/dbraw/zinc/09/61/68/158096168.db2.gz BWOSTFUPSQQPRV-MRXNPFEDSA-N 2 0 334.489 1.519 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@]1(F)CC[NH2+]C1 ZINC000378206746 158109118 /nfs/dbraw/zinc/10/91/18/158109118.db2.gz QMWQYLHMGIHENI-KRWDZBQOSA-N 2 0 327.444 1.087 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3CNC(=O)O3)CC2)C[C@@H](C)O1 ZINC000378283242 158129040 /nfs/dbraw/zinc/12/90/40/158129040.db2.gz BUUGKCDFMMYKMW-FMKPAKJESA-N 2 0 325.453 1.306 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000378289725 158129678 /nfs/dbraw/zinc/12/96/78/158129678.db2.gz NGENDYUPYAVTRF-INIZCTEOSA-N 2 0 332.448 1.558 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000417907774 304429781 /nfs/dbraw/zinc/42/97/81/304429781.db2.gz HQDAHFXHNUAFKG-IXDOHACOSA-N 2 0 340.512 1.427 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000352056407 161940110 /nfs/dbraw/zinc/94/01/10/161940110.db2.gz CDZIFWCJJJQTNQ-WBVHZDCISA-N 2 0 325.497 1.770 20 0 EDADRP CC[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)C1(C(=O)OC)CCC1 ZINC000353845981 286909187 /nfs/dbraw/zinc/90/91/87/286909187.db2.gz PBXNQUNJKNLYSG-HZPDHXFCSA-N 2 0 325.497 1.581 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000352208459 162050850 /nfs/dbraw/zinc/05/08/50/162050850.db2.gz OAHIZMVNLHNISZ-MRXNPFEDSA-N 2 0 328.501 1.328 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000352212787 162053429 /nfs/dbraw/zinc/05/34/29/162053429.db2.gz BWRWNOSIENICQV-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP CO[C@H]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@H](C[NH3+])C1 ZINC000418032049 304448742 /nfs/dbraw/zinc/44/87/42/304448742.db2.gz UPGQZPXZNWDJMQ-GJZGRUSLSA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000418043131 304450728 /nfs/dbraw/zinc/45/07/28/304450728.db2.gz YOAMWOVBGBCXLY-KGLIPLIRSA-N 2 0 344.381 1.969 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1cccc(N2CCOCC2)c1 ZINC000423174281 287025794 /nfs/dbraw/zinc/02/57/94/287025794.db2.gz AAQWPAZJZXGPPS-QGZVFWFLSA-N 2 0 332.492 1.469 20 0 EDADRP CC[NH+](CC)CC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000076573090 287284274 /nfs/dbraw/zinc/28/42/74/287284274.db2.gz LMNWZOISYVAJSQ-UHFFFAOYSA-N 2 0 346.519 1.652 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NCCC[NH2+]C2CC2)cc1 ZINC000418302517 304477659 /nfs/dbraw/zinc/47/76/59/304477659.db2.gz QFPPZSRFQMAWPR-QGZVFWFLSA-N 2 0 334.464 1.739 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)C(=O)Nc2cccc(-n3ccnc3)c2)C1 ZINC000118898373 287348892 /nfs/dbraw/zinc/34/88/92/287348892.db2.gz RYZICIJZTZNCMT-AWEZNQCLSA-N 2 0 341.415 1.269 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000120522963 287361890 /nfs/dbraw/zinc/36/18/90/287361890.db2.gz GGIFQIGASCPRED-OFLPRAFFSA-N 2 0 340.512 1.517 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000418329639 304481195 /nfs/dbraw/zinc/48/11/95/304481195.db2.gz OUXHLUWRNURHHO-QZTJIDSGSA-N 2 0 345.491 1.592 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CCCn1ccnc1C ZINC000121385268 287370851 /nfs/dbraw/zinc/37/08/51/287370851.db2.gz LBYHWEYJWZWVBE-INIZCTEOSA-N 2 0 337.468 1.334 20 0 EDADRP [NH3+]C[C@H](NC(=O)NCCC[NH2+]Cc1cccnc1)C1CCCCC1 ZINC000418332508 304481548 /nfs/dbraw/zinc/48/15/48/304481548.db2.gz SORKLOWAJYLXHM-KRWDZBQOSA-N 2 0 333.480 1.768 20 0 EDADRP O=C(NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000168098732 226208767 /nfs/dbraw/zinc/20/87/67/226208767.db2.gz OCVUJKYLVUXFPS-MSOLQXFVSA-N 2 0 331.460 1.300 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418379896 304488371 /nfs/dbraw/zinc/48/83/71/304488371.db2.gz JKMNYWCUVWSZFI-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP COCC[N@H+](C)CCCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000122172607 222029169 /nfs/dbraw/zinc/02/91/69/222029169.db2.gz VIEZFVCWOIHYKE-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)nc4ccccn43)C2)CC1 ZINC000123290722 222250319 /nfs/dbraw/zinc/25/03/19/222250319.db2.gz ODTZXXRZJHWCLO-QGZVFWFLSA-N 2 0 327.476 1.855 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C2([NH3+])CCOCC2)CC1 ZINC000261662731 273017088 /nfs/dbraw/zinc/01/70/88/273017088.db2.gz BGPDIRVHZOVIPI-UHFFFAOYSA-N 2 0 345.487 1.865 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1ccnc(F)c1F ZINC000276485118 268432677 /nfs/dbraw/zinc/43/26/77/268432677.db2.gz SQIAUTGQRVXKJO-UHFFFAOYSA-N 2 0 328.407 1.705 20 0 EDADRP COC1(C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000277010002 268503784 /nfs/dbraw/zinc/50/37/84/268503784.db2.gz LDIJLECHBARMFZ-UHFFFAOYSA-N 2 0 348.491 1.379 20 0 EDADRP CC[C@@]1(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]1 ZINC000274548636 273095385 /nfs/dbraw/zinc/09/53/85/273095385.db2.gz DDXMFJLHPKWCNI-FQEVSTJZSA-N 2 0 344.503 1.847 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[NH+](C)C ZINC000277284874 273187273 /nfs/dbraw/zinc/18/72/73/273187273.db2.gz IPPWAYSOROUNEI-RBUKOAKNSA-N 2 0 347.503 1.980 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ncc(F)cc1F ZINC000277466952 273201438 /nfs/dbraw/zinc/20/14/38/273201438.db2.gz IEDPZJSSCTYTNJ-AWEZNQCLSA-N 2 0 340.418 1.848 20 0 EDADRP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000282603580 273686564 /nfs/dbraw/zinc/68/65/64/273686564.db2.gz HZTNAZULBSHTPT-UHFFFAOYSA-N 2 0 342.491 1.611 20 0 EDADRP Cc1c[nH+]ccc1NCCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000359484658 274670541 /nfs/dbraw/zinc/67/05/41/274670541.db2.gz QQCSKYJWVNVJRK-UHFFFAOYSA-N 2 0 326.448 1.616 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)NCC[NH3+])CC1 ZINC000417418327 276202691 /nfs/dbraw/zinc/20/26/91/276202691.db2.gz BDXITQIGUJNBMX-CYBMUJFWSA-N 2 0 337.443 1.287 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)N2CC[N@H+](CC(C)(C)O)C[C@@H]2C)cc1 ZINC000416019188 277033637 /nfs/dbraw/zinc/03/36/37/277033637.db2.gz XCNWTJHUPNCSDQ-AWEZNQCLSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccn2)CC1 ZINC000374595853 277112430 /nfs/dbraw/zinc/11/24/30/277112430.db2.gz QBIKLAQLKITJEY-YESZJQIVSA-N 2 0 343.475 1.033 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000178999315 277286179 /nfs/dbraw/zinc/28/61/79/277286179.db2.gz XSQKSTJUGXINFE-QGZVFWFLSA-N 2 0 330.476 1.116 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)CC1 ZINC000245910171 277384130 /nfs/dbraw/zinc/38/41/30/277384130.db2.gz VASUGZAITJYPIE-HOTGVXAUSA-N 2 0 340.512 1.203 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000362749748 277385833 /nfs/dbraw/zinc/38/58/33/277385833.db2.gz CXMAOLZKWBVWMR-GOSISDBHSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000333737669 277828693 /nfs/dbraw/zinc/82/86/93/277828693.db2.gz XCUVLDCTQUOTEJ-UKPHBRMFSA-N 2 0 334.439 1.522 20 0 EDADRP C[C@H](CN1CCOCC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422865542 278194874 /nfs/dbraw/zinc/19/48/74/278194874.db2.gz YLRFNCQGBKAJEV-AYBZRNKSSA-N 2 0 331.460 1.553 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)O ZINC000267174549 278210438 /nfs/dbraw/zinc/21/04/38/278210438.db2.gz VXEYUQHKMJXIPV-DOTOQJQBSA-N 2 0 333.476 1.468 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000486987331 288089714 /nfs/dbraw/zinc/08/97/14/288089714.db2.gz MNZZUZXMOXONIH-BMFZPTHFSA-N 2 0 331.464 1.358 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1C[N@H+](C)CCN1C)c1ccccc1 ZINC000078638615 279154237 /nfs/dbraw/zinc/15/42/37/279154237.db2.gz BZMSCPIFBPKKIJ-MSOLQXFVSA-N 2 0 332.492 1.432 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000343942753 279186127 /nfs/dbraw/zinc/18/61/27/279186127.db2.gz UMOOLQCTDWCORS-ROUUACIJSA-N 2 0 327.432 1.481 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417595549 279332440 /nfs/dbraw/zinc/33/24/40/279332440.db2.gz XTBXEFUWWOSRBJ-BPQIPLTHSA-N 2 0 330.476 1.758 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000262850957 279395585 /nfs/dbraw/zinc/39/55/85/279395585.db2.gz SHIQUHPTBDUDLJ-FUHWJXTLSA-N 2 0 332.492 1.609 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000332276114 288146175 /nfs/dbraw/zinc/14/61/75/288146175.db2.gz QIZXEVLHDNPAPE-OWCLPIDISA-N 2 0 338.496 1.100 20 0 EDADRP O=C(C1CC[NH+]([C@@H]2CCSC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000342558803 279740993 /nfs/dbraw/zinc/74/09/93/279740993.db2.gz ANWYEASXCFYRFO-QGZVFWFLSA-N 2 0 337.533 1.901 20 0 EDADRP CC(C)[C@H](C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1)[NH+]1CCCCC1 ZINC000347152555 280145117 /nfs/dbraw/zinc/14/51/17/280145117.db2.gz YWBLAAXOKCRLSF-DLBZAZTESA-N 2 0 325.497 1.412 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000424189848 280158779 /nfs/dbraw/zinc/15/87/79/280158779.db2.gz LNDTUAGSORBSDT-RBSFLKMASA-N 2 0 331.464 1.338 20 0 EDADRP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccnn1C)[NH+](C)C ZINC000347862205 280174757 /nfs/dbraw/zinc/17/47/57/280174757.db2.gz MRHITGMDCIXEBP-OIISXLGYSA-N 2 0 335.496 1.505 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]C2)nn1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000424142087 280224501 /nfs/dbraw/zinc/22/45/01/280224501.db2.gz DBVFCDSGKFPOBL-INIZCTEOSA-N 2 0 346.479 1.293 20 0 EDADRP CCOC1CC(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000287344494 288214864 /nfs/dbraw/zinc/21/48/64/288214864.db2.gz MEDMFYZULJYAGX-UHFFFAOYSA-N 2 0 346.475 1.525 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)N[C@@H](C)C[NH+](C)C)c2)CC1 ZINC000287538857 288260703 /nfs/dbraw/zinc/26/07/03/288260703.db2.gz LGVUIVDIFPGWAO-HNNXBMFYSA-N 2 0 333.480 1.900 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@@]2([NH+](C)C)CCCSC2)CCOCC1 ZINC000362177623 282041598 /nfs/dbraw/zinc/04/15/98/282041598.db2.gz JGAMFEAWJOTMTJ-MRXNPFEDSA-N 2 0 329.510 1.041 20 0 EDADRP CC[NH+](CC)CC(=O)Nc1cccc(NC(=O)Cn2ccnc2)c1 ZINC000291117359 289003563 /nfs/dbraw/zinc/00/35/63/289003563.db2.gz FDBKSVAGZZWQBH-UHFFFAOYSA-N 2 0 329.404 1.802 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000376780877 289042270 /nfs/dbraw/zinc/04/22/70/289042270.db2.gz ZYXSBFWXWVBWEX-LTIDMASMSA-N 2 0 336.480 1.118 20 0 EDADRP C[NH+](C)CC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)C(C)(C)C ZINC000458399911 289183836 /nfs/dbraw/zinc/18/38/36/289183836.db2.gz GIKGQEKVPXWVJK-CVEARBPZSA-N 2 0 342.528 1.499 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccccc1 ZINC000369048554 289207821 /nfs/dbraw/zinc/20/78/21/289207821.db2.gz WEAMGSVRNUVEMC-SQNIBIBYSA-N 2 0 346.475 1.452 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H](C[NH3+])C2CCCC2)cc1 ZINC000262011861 289224708 /nfs/dbraw/zinc/22/47/08/289224708.db2.gz HOXWJKXQROKNHI-INIZCTEOSA-N 2 0 325.478 1.544 20 0 EDADRP C[C@H](C[NH2+]Cc1cnnn1Cc1ccccc1)CN1CC[NH+](C)CC1 ZINC000291993140 289234230 /nfs/dbraw/zinc/23/42/30/289234230.db2.gz UCISRRVQABSGQV-QGZVFWFLSA-N 2 0 342.491 1.300 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NC[C@@H]2CCC[C@H]2[NH+]2CCOCC2)C1 ZINC000369048680 289292449 /nfs/dbraw/zinc/29/24/49/289292449.db2.gz WQMSUNBCCCRSLA-GVDBMIGSSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@H](O)C[NH+]1CCN(c2ccccc2OCC[NH+](C)C)CC1 ZINC000293059567 289510262 /nfs/dbraw/zinc/51/02/62/289510262.db2.gz YTLLTDVPKUVHGT-GOSISDBHSA-N 2 0 335.492 1.766 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000362564484 290386261 /nfs/dbraw/zinc/38/62/61/290386261.db2.gz LCOYQBNKMCVNCL-LSDHHAIUSA-N 2 0 333.480 1.871 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CCC[NH2+]1 ZINC000417866387 293290238 /nfs/dbraw/zinc/29/02/38/293290238.db2.gz CFOZALKZHOMEBX-DOTOQJQBSA-N 2 0 326.485 1.032 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)C[C@H]21 ZINC000342150167 295309425 /nfs/dbraw/zinc/30/94/25/295309425.db2.gz XDUCQENRFDIXJB-KBAYOESNSA-N 2 0 337.508 1.901 20 0 EDADRP CSC1(CNC(=O)N(C)CC[C@@H]([NH3+])C(C)C)CC[NH+](C)CC1 ZINC000418196159 295575698 /nfs/dbraw/zinc/57/56/98/295575698.db2.gz GZZBRZYZIQGHTR-CQSZACIVSA-N 2 0 330.542 1.829 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418521889 304508038 /nfs/dbraw/zinc/50/80/38/304508038.db2.gz RZCCGBDLVBKUMZ-UHFFFAOYSA-N 3 0 341.544 1.291 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C[N@@H+]1C1CC1 ZINC000358880027 297270953 /nfs/dbraw/zinc/27/09/53/297270953.db2.gz BKLQRHWASVKPFW-HZPDHXFCSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@H]1CN(CC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000660139279 453070436 /nfs/dbraw/zinc/07/04/36/453070436.db2.gz QUYCMEFVYJBXPL-IRXDYDNUSA-N 2 0 326.529 1.053 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)C(=O)NCC1([NH3+])CCC1)c1ccccc1 ZINC000419639242 304647914 /nfs/dbraw/zinc/64/79/14/304647914.db2.gz CFNMTJCWHPVDJQ-CQSZACIVSA-N 2 0 346.475 1.230 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000419655498 447323718 /nfs/dbraw/zinc/32/37/18/447323718.db2.gz HNLORCSEYDWSQY-GDBMZVCRSA-N 2 0 346.475 1.009 20 0 EDADRP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1C(=O)c1ccc(Cn2ccnc2)cc1 ZINC000293803112 303021198 /nfs/dbraw/zinc/02/11/98/303021198.db2.gz YIJZRVAZRMDPOY-CRAIPNDOSA-N 2 0 342.443 1.459 20 0 EDADRP Cn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000294236597 303081349 /nfs/dbraw/zinc/08/13/49/303081349.db2.gz OUEUPVQXYKIYIS-IRXDYDNUSA-N 2 0 327.432 1.904 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000296310819 303309457 /nfs/dbraw/zinc/30/94/57/303309457.db2.gz GNTZDEFIXDPCPU-IAGOWNOFSA-N 2 0 332.492 1.701 20 0 EDADRP C[C@@H]([NH2+]C1CC1)C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000296461130 303317993 /nfs/dbraw/zinc/31/79/93/303317993.db2.gz OVAPAWUAENNVRJ-MRXNPFEDSA-N 2 0 330.476 1.061 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(N)nc1)[N@H+](C)Cc1ccccc1 ZINC000414823401 447327720 /nfs/dbraw/zinc/32/77/20/447327720.db2.gz OMOJTYXTNWRHFH-CYBMUJFWSA-N 2 0 341.415 1.239 20 0 EDADRP CCC[C@H]1C[NH2+]CCN1C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C ZINC000419661049 447329519 /nfs/dbraw/zinc/32/95/19/447329519.db2.gz DQGFHOSBVUUSDH-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC1 ZINC000449673404 303470533 /nfs/dbraw/zinc/47/05/33/303470533.db2.gz ZMWPZEJOIXWRAJ-WSTZPKSXSA-N 2 0 343.471 1.273 20 0 EDADRP C[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000414862569 447333224 /nfs/dbraw/zinc/33/32/24/447333224.db2.gz VKZSQXSIDCCLKS-UHFFFAOYSA-N 2 0 344.459 1.119 20 0 EDADRP Fc1ccc(-n2cc(C[NH2+]CCN3CC[NH2+]CC3)nn2)c(Cl)c1 ZINC000414874160 447337386 /nfs/dbraw/zinc/33/73/86/447337386.db2.gz YPXRGRNWAWGHSM-UHFFFAOYSA-N 2 0 338.818 1.055 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccccc1C[NH2+]C ZINC000414874574 447337926 /nfs/dbraw/zinc/33/79/26/447337926.db2.gz IEUWYZNFNYWEER-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP [NH3+]C1CCC([NH2+]CCc2ccc(OCC(=O)NC3CC3)cc2)CC1 ZINC000422704770 304878869 /nfs/dbraw/zinc/87/88/69/304878869.db2.gz AQRBPOTVVSBDHZ-UHFFFAOYSA-N 2 0 331.460 1.746 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000422707130 304878983 /nfs/dbraw/zinc/87/89/83/304878983.db2.gz VSSOSFLQDSZIEN-HIFRSBDPSA-N 2 0 343.493 1.341 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000422707688 304879051 /nfs/dbraw/zinc/87/90/51/304879051.db2.gz WYJBLQVCJPGSFQ-ZKYQVNSYSA-N 2 0 326.824 1.953 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422914894 304880075 /nfs/dbraw/zinc/88/00/75/304880075.db2.gz WKKWPFMIXMRMLT-APWZRJJASA-N 3 0 344.503 1.600 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1OCC(N)=O ZINC000422941668 304880903 /nfs/dbraw/zinc/88/09/03/304880903.db2.gz VICRLFRUPNYQOH-BZUAXINKSA-N 2 0 347.459 1.570 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422985041 304882062 /nfs/dbraw/zinc/88/20/62/304882062.db2.gz BVCXQRNJGCGSGT-LAQRGFTBSA-N 2 0 330.476 1.301 20 0 EDADRP CN(CC[NH2+][C@@H]1CCCC[C@@H]1C[NH3+])S(=O)(=O)c1cccs1 ZINC000422998348 304882671 /nfs/dbraw/zinc/88/26/71/304882671.db2.gz PYLVPQFGRVYCMJ-CHWSQXEVSA-N 2 0 331.507 1.476 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423274037 304890863 /nfs/dbraw/zinc/89/08/63/304890863.db2.gz LPMOSWZSRKGTFJ-HUUCEWRRSA-N 2 0 339.505 1.991 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423331462 304892664 /nfs/dbraw/zinc/89/26/64/304892664.db2.gz OLTFSUIQZYNPFC-ZDUSSCGKSA-N 2 0 325.478 1.635 20 0 EDADRP COC[C@H](C)CC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424017023 304925384 /nfs/dbraw/zinc/92/53/84/304925384.db2.gz FLYXVAOETCMRHG-MRXNPFEDSA-N 2 0 333.476 1.769 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CCN3CCCOCC3)CC2)C[C@H](C)O1 ZINC000429677826 305034693 /nfs/dbraw/zinc/03/46/93/305034693.db2.gz DFQKKOOYKGBFCZ-HDICACEKSA-N 2 0 339.524 1.530 20 0 EDADRP Cc1oc(-c2ccsc2)nc1C[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430618768 305059446 /nfs/dbraw/zinc/05/94/46/305059446.db2.gz WVKXNFACBFFTPB-ZDUSSCGKSA-N 2 0 348.472 1.998 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC[C@H]1[NH3+] ZINC000430942632 305069622 /nfs/dbraw/zinc/06/96/22/305069622.db2.gz MOAINXRKOHCPOO-CRAIPNDOSA-N 2 0 348.466 1.534 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NCCc2c(F)cccc2F)CC1 ZINC000430943305 305069789 /nfs/dbraw/zinc/06/97/89/305069789.db2.gz ONATYBGUGJKDAX-LBPRGKRZSA-N 2 0 325.403 1.683 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430943885 305069805 /nfs/dbraw/zinc/06/98/05/305069805.db2.gz QRCAADBWUZKHDN-NWDGAFQWSA-N 2 0 336.411 1.922 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)C(C)(C)C[NH3+])CC2)c1 ZINC000431011642 305072819 /nfs/dbraw/zinc/07/28/19/305072819.db2.gz BFCWKTBXTGCSQP-UHFFFAOYSA-N 2 0 332.492 1.608 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431016388 305072962 /nfs/dbraw/zinc/07/29/62/305072962.db2.gz ZWLSWCITGUVFRW-QGZVFWFLSA-N 2 0 345.487 1.954 20 0 EDADRP COC(=O)[C@@H]1CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@H](C(=O)OC)C2)C1 ZINC000431594241 305080272 /nfs/dbraw/zinc/08/02/72/305080272.db2.gz FFCSQWUTOHOBOD-BZUAXINKSA-N 2 0 340.464 1.535 20 0 EDADRP NC(=O)CCOc1ccccc1NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433115712 305100741 /nfs/dbraw/zinc/10/07/41/305100741.db2.gz KIKHWDUEQSBAHQ-UHFFFAOYSA-N 2 0 348.447 1.083 20 0 EDADRP COc1ccc(NC(=O)CCC[NH+]2CCC([NH3+])CC2)cc1NC(C)=O ZINC000433125092 305101017 /nfs/dbraw/zinc/10/10/17/305101017.db2.gz IJHGOACDRPBYGF-UHFFFAOYSA-N 2 0 348.447 1.795 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000433122850 305101120 /nfs/dbraw/zinc/10/11/20/305101120.db2.gz XHFIQEADNBSSDO-IBGZPJMESA-N 2 0 346.519 1.494 20 0 EDADRP CC(=O)N1CCc2cc(NC(=O)CCC[NH+]3CCC([NH3+])CC3)ccc21 ZINC000433126031 305101286 /nfs/dbraw/zinc/10/12/86/305101286.db2.gz AUYLBRPCZGZSDC-UHFFFAOYSA-N 2 0 344.459 1.737 20 0 EDADRP COC[C@@H](Cc1ccccc1)NC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433146051 305101723 /nfs/dbraw/zinc/10/17/23/305101723.db2.gz KAOOIZPQLXYLEP-GOSISDBHSA-N 2 0 333.476 1.564 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000433294773 305105263 /nfs/dbraw/zinc/10/52/63/305105263.db2.gz NFQQTIGMOQZKEO-DLBZAZTESA-N 2 0 342.528 1.763 20 0 EDADRP C[C@H](CNC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+](C)C1CC1 ZINC000433327858 305105881 /nfs/dbraw/zinc/10/58/81/305105881.db2.gz BFEDYXRYPKOIES-CABCVRRESA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000433358016 305106473 /nfs/dbraw/zinc/10/64/73/305106473.db2.gz XJAMPQGMHSJDHB-WMZOPIPTSA-N 2 0 332.492 1.432 20 0 EDADRP Cc1ccc(NC(=O)c2ncn([C@H]3CCC[NH2+]C3)n2)c(C[NH+](C)C)c1 ZINC000433375910 305106722 /nfs/dbraw/zinc/10/67/22/305106722.db2.gz MTZAQQGZLMFUNZ-HNNXBMFYSA-N 2 0 342.447 1.825 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)cc1 ZINC000433418461 305108793 /nfs/dbraw/zinc/10/87/93/305108793.db2.gz ABDJOQOZTQIXCZ-CZUORRHYSA-N 2 0 327.432 1.757 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCn2ccnc2C1 ZINC000440137243 305203446 /nfs/dbraw/zinc/20/34/46/305203446.db2.gz SYGYLCRMRAHBGA-DLBZAZTESA-N 2 0 347.507 1.320 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC000444374908 305247579 /nfs/dbraw/zinc/24/75/79/305247579.db2.gz NUVQVUGPQHNXBW-CYBMUJFWSA-N 2 0 339.505 1.727 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@@H]2[NH+](C)CCCC2(C)C)C[C@H]1C ZINC000448258951 305294898 /nfs/dbraw/zinc/29/48/98/305294898.db2.gz ZVQFUDPHXWDDOZ-PMPSAXMXSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000449331741 305311743 /nfs/dbraw/zinc/31/17/43/305311743.db2.gz APDIZSBIOJUWRZ-MRXNPFEDSA-N 2 0 326.529 1.400 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)[C@@H]2C[NH2+]C[C@H]2C)CCOCC1)c1ccccc1 ZINC000449351945 305312226 /nfs/dbraw/zinc/31/22/26/305312226.db2.gz SGACCHLETSZJSI-JFIYKMOQSA-N 2 0 345.487 1.858 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1CCCC[NH+]1CCO)[N@H+](C)Cc1ccccc1 ZINC000452367672 305393333 /nfs/dbraw/zinc/39/33/33/305393333.db2.gz BTDKKFWUBWVHEI-MOPGFXCFSA-N 2 0 347.503 1.860 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2COc3ccc(OC)cc3C2)CC1 ZINC000453059200 305404800 /nfs/dbraw/zinc/40/48/00/305404800.db2.gz LYQPMNNLGMXLRW-NVXWUHKLSA-N 2 0 333.476 1.614 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000414904607 447351178 /nfs/dbraw/zinc/35/11/78/447351178.db2.gz NCBNUZQDJYOTLP-KBPBESRZSA-N 2 0 332.448 1.445 20 0 EDADRP C[NH+](C)C/C=C/C(=O)N1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000491646397 305577416 /nfs/dbraw/zinc/57/74/16/305577416.db2.gz USJIMIMTINRLBT-HWKANZROSA-N 2 0 337.386 1.217 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1 ZINC000491873816 305579629 /nfs/dbraw/zinc/57/96/29/305579629.db2.gz USZXSRZCEHNSQB-DAXSKMNVSA-N 2 0 344.459 1.440 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CN(C(=O)OC)C2)CC1 ZINC000492099045 305585832 /nfs/dbraw/zinc/58/58/32/305585832.db2.gz QKKRYXQUCWQLGE-UHFFFAOYSA-N 2 0 346.475 1.759 20 0 EDADRP C[NH+](C)C/C=C\C(=O)N1CCC[C@H](c2n[nH]cc2C[NH+]2CCCC2)C1 ZINC000493836747 305628703 /nfs/dbraw/zinc/62/87/03/305628703.db2.gz NFPZIVBSEZBFDY-IOBAAEILSA-N 2 0 345.491 1.829 20 0 EDADRP C[C@@H]1C[C@@H](C[NH2+]C2(CCO)CN(C(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496663819 305673808 /nfs/dbraw/zinc/67/38/08/305673808.db2.gz PWUFWVHUNLUUMA-KGLIPLIRSA-N 2 0 327.469 1.336 20 0 EDADRP CCNC(=O)COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000414917295 447355889 /nfs/dbraw/zinc/35/58/89/447355889.db2.gz RFAUMMMEWFLKMQ-LJQANCHMSA-N 2 0 349.475 1.689 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)N1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000529331176 305909690 /nfs/dbraw/zinc/90/96/90/305909690.db2.gz JCAONIUDCFITDI-WBVHZDCISA-N 2 0 338.496 1.176 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCOC[C@H]3CCCO3)CC2)CC1 ZINC000544488276 306075480 /nfs/dbraw/zinc/07/54/80/306075480.db2.gz DBLRTLFOBFCQMP-GOSISDBHSA-N 2 0 339.524 1.532 20 0 EDADRP Cc1nc(N2C[C@@H](C)[NH+](C)[C@@H](C)C2)cc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)n1 ZINC000555221492 306200327 /nfs/dbraw/zinc/20/03/27/306200327.db2.gz UPOXRCPNNYFPTI-GEEKYZPCSA-N 2 0 346.523 1.843 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]CCc2csc3ccccc23)CC1 ZINC000556882165 306220738 /nfs/dbraw/zinc/22/07/38/306220738.db2.gz OHUYRQXXNTWXSS-MRXNPFEDSA-N 2 0 333.501 1.642 20 0 EDADRP C[NH+](C)CCCCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000556939220 306221469 /nfs/dbraw/zinc/22/14/69/306221469.db2.gz BUHDQXGUBNLFGC-UHFFFAOYSA-N 2 0 347.507 1.442 20 0 EDADRP O=C(NC1CC[NH+](C2CCCC2)CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000557194160 306226046 /nfs/dbraw/zinc/22/60/46/306226046.db2.gz XJSZPSFJGYVDDR-AWEZNQCLSA-N 2 0 330.423 1.690 20 0 EDADRP CC[NH2+]CCCNC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000557279094 306227469 /nfs/dbraw/zinc/22/74/69/306227469.db2.gz QKTDBCDTVMWUHB-UHFFFAOYSA-N 2 0 338.496 1.016 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000414954636 447372448 /nfs/dbraw/zinc/37/24/48/447372448.db2.gz LRAYBWVBYPSETI-CXAGYDPISA-N 2 0 344.459 1.334 20 0 EDADRP CN1CC[NH2+]C[C@@H]1CN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000414979911 447383403 /nfs/dbraw/zinc/38/34/03/447383403.db2.gz VEOIMOMYNKTBGF-YSTOQKLRSA-N 2 0 328.504 1.390 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000415420210 447417608 /nfs/dbraw/zinc/41/76/08/447417608.db2.gz WDPSKPIDPJRZMC-HNNXBMFYSA-N 2 0 344.459 1.084 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCN(CCO)C[C@@H]1C ZINC000458576445 447418180 /nfs/dbraw/zinc/41/81/80/447418180.db2.gz PHRACKVMBUIDTK-IRXDYDNUSA-N 2 0 340.512 1.205 20 0 EDADRP CC[C@H](C)[NH+]1CCN(C(=O)NCCN2CCC([NH+](C)C)CC2)CC1 ZINC000458579892 447419630 /nfs/dbraw/zinc/41/96/30/447419630.db2.gz FBOGYRFRTKFEBV-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CCC[C@H](O)C1 ZINC000071832610 441164536 /nfs/dbraw/zinc/16/45/36/441164536.db2.gz MCYCOWMTKXNQQT-APWZRJJASA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccccc1Cl ZINC000103211970 441177260 /nfs/dbraw/zinc/17/72/60/441177260.db2.gz VAMDHNXSVOMTFD-UHFFFAOYSA-N 2 0 327.856 1.671 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)CC1 ZINC000080655713 441186773 /nfs/dbraw/zinc/18/67/73/441186773.db2.gz MZHWYVPPHBCWKT-MSOLQXFVSA-N 2 0 336.524 1.534 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000105081487 441230713 /nfs/dbraw/zinc/23/07/13/441230713.db2.gz QJUCJACYWOWNTK-UHFFFAOYSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@@H](CNC(=O)NC1CC[NH+](Cc2ccccn2)CC1)[N@H+](C)C1CC1 ZINC000105112398 441234931 /nfs/dbraw/zinc/23/49/31/441234931.db2.gz KMVHOADFYCVELC-HNNXBMFYSA-N 2 0 345.491 1.828 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000105147332 441238663 /nfs/dbraw/zinc/23/86/63/441238663.db2.gz NCBPCNJYTSCGKS-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](O)c1ccccc1 ZINC000081314928 441253687 /nfs/dbraw/zinc/25/36/87/441253687.db2.gz AWJBMANPMTYEPX-ZWKOTPCHSA-N 2 0 333.476 1.595 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](C)CC2)C1 ZINC000063308627 441325015 /nfs/dbraw/zinc/32/50/15/441325015.db2.gz JRMLGIGWIPEENH-IAGOWNOFSA-N 2 0 325.497 1.581 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081724662 441305221 /nfs/dbraw/zinc/30/52/21/441305221.db2.gz KQXQBHVQEXIZKX-MSOLQXFVSA-N 3 0 338.540 1.593 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)c2cnn(CC[NH+]3CCCCC3)c2)C1 ZINC000074181561 441403488 /nfs/dbraw/zinc/40/34/88/441403488.db2.gz JRBOTFWAGLJVCF-QGZVFWFLSA-N 2 0 347.507 1.783 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000052552966 441458983 /nfs/dbraw/zinc/45/89/83/441458983.db2.gz BTBRTFFXUNKJMF-KRWDZBQOSA-N 2 0 331.464 1.439 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@@H]2CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000108541274 441461737 /nfs/dbraw/zinc/46/17/37/441461737.db2.gz WDVOJWJIQFHPBW-YJBOKZPZSA-N 2 0 348.491 1.939 20 0 EDADRP CC(C)COC(=O)N1CCC([NH2+]CC2(O)CC[NH+](C)CC2)CC1 ZINC000089156839 441527809 /nfs/dbraw/zinc/52/78/09/441527809.db2.gz CRMPGRCRHNKQPX-UHFFFAOYSA-N 2 0 327.469 1.290 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](CC(=O)N(C)Cc2cnn(C)c2)CC1 ZINC000066155611 441507853 /nfs/dbraw/zinc/50/78/53/441507853.db2.gz CMQZTSCPIWHGGH-UHFFFAOYSA-N 2 0 349.523 1.822 20 0 EDADRP C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000067504811 441646619 /nfs/dbraw/zinc/64/66/19/441646619.db2.gz SUIQSEAKCIIICU-INIZCTEOSA-N 2 0 329.448 1.931 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000076981280 441702265 /nfs/dbraw/zinc/70/22/65/441702265.db2.gz PEEWFDNSDIHFFW-MRXNPFEDSA-N 2 0 329.448 1.398 20 0 EDADRP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000121487049 441716925 /nfs/dbraw/zinc/71/69/25/441716925.db2.gz VZNARGCLHJKIGU-GOSISDBHSA-N 2 0 327.513 1.123 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000121709071 441764001 /nfs/dbraw/zinc/76/40/01/441764001.db2.gz MRSUCGKXDIJBTI-SFHVURJKSA-N 2 0 333.476 1.736 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+](CC2CCOCC2)CC1)[N@H+](C)C1CC1 ZINC000077593382 441810946 /nfs/dbraw/zinc/81/09/46/441810946.db2.gz UECNPVXLZYXKLG-HNNXBMFYSA-N 2 0 338.496 1.223 20 0 EDADRP CC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000173906926 441860850 /nfs/dbraw/zinc/86/08/50/441860850.db2.gz YNSOXOUPCHMQEN-QGZVFWFLSA-N 2 0 346.475 1.676 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(C(N)=O)cc3)CC[C@@H]21 ZINC000140014360 441830322 /nfs/dbraw/zinc/83/03/22/441830322.db2.gz VEHGALKJNUYOIV-RDJZCZTQSA-N 2 0 344.459 1.530 20 0 EDADRP C[C@H]1CCC[N@@H+]1C1CCN(c2cc(-n3cccn3)nc(N)[nH+]2)CC1 ZINC000092923740 441841575 /nfs/dbraw/zinc/84/15/75/441841575.db2.gz ZLMPVSJMNJAKOP-ZDUSSCGKSA-N 2 0 327.436 1.698 20 0 EDADRP Cc1nccn1C[C@@H]1CCCN1C(=O)N[C@H](C)CN1CCOCC1 ZINC000175790292 442122967 /nfs/dbraw/zinc/12/29/67/442122967.db2.gz PNKFAIYHOVJAGI-ZBFHGGJFSA-N 2 0 335.452 1.086 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN(C)CC(=O)N(C)C)CC1 ZINC000162488285 442097183 /nfs/dbraw/zinc/09/71/83/442097183.db2.gz UXONLGFSYQHWPN-UHFFFAOYSA-N 2 0 332.492 1.739 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000163499924 442170320 /nfs/dbraw/zinc/17/03/20/442170320.db2.gz UIZRDYIPTUATHP-GOEBONIOSA-N 2 0 325.497 1.628 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000176191523 442187981 /nfs/dbraw/zinc/18/79/81/442187981.db2.gz PUDODBGPVLEPQC-DLBZAZTESA-N 2 0 338.496 1.225 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+]1CCC(C)CC1 ZINC000165730825 442210643 /nfs/dbraw/zinc/21/06/43/442210643.db2.gz QMUOWBSUBVPVQU-SFHVURJKSA-N 2 0 333.476 1.812 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000166060564 442213751 /nfs/dbraw/zinc/21/37/51/442213751.db2.gz GPMFOMZJNXVZEW-IBGZPJMESA-N 2 0 334.508 1.992 20 0 EDADRP C[C@@]1(C(=O)NCc2ccc(C[NH+]3CCC(O)CC3)cc2)CC[NH2+]C1 ZINC000167415506 442220824 /nfs/dbraw/zinc/22/08/24/442220824.db2.gz UFNXOCUIHXYPLA-LJQANCHMSA-N 2 0 331.460 1.259 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000176635832 442242865 /nfs/dbraw/zinc/24/28/65/442242865.db2.gz GTFVVPSJWAPGEI-GVDBMIGSSA-N 2 0 338.496 1.223 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000153117664 442262653 /nfs/dbraw/zinc/26/26/53/442262653.db2.gz HGKWNKOQNAPKNW-UHFFFAOYSA-N 2 0 346.519 1.651 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C[C@@H](C)[NH2+]1 ZINC000154162876 442324568 /nfs/dbraw/zinc/32/45/68/442324568.db2.gz HMLPHTHKTJXHMO-RKVPGOIHSA-N 3 0 341.459 1.010 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896353 442387897 /nfs/dbraw/zinc/38/78/97/442387897.db2.gz QKWXDQVDFHHMLZ-CVEARBPZSA-N 2 0 332.448 1.906 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000171908321 442390244 /nfs/dbraw/zinc/39/02/44/442390244.db2.gz NWNKLBOKAHONEM-MRXNPFEDSA-N 2 0 326.485 1.080 20 0 EDADRP COC(=O)C1([N@H+](C)CCCN2CC[NH+](C(C)C)CC2)CCCC1 ZINC000191585976 442470725 /nfs/dbraw/zinc/47/07/25/442470725.db2.gz FNNPRFPJAKRMAD-UHFFFAOYSA-N 2 0 325.497 1.820 20 0 EDADRP CCCN(C(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@@H]1CC[NH2+]C1 ZINC000178884991 442514832 /nfs/dbraw/zinc/51/48/32/442514832.db2.gz CAPINWPOQBFCLF-QGZVFWFLSA-N 2 0 345.491 1.194 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000156762240 442517424 /nfs/dbraw/zinc/51/74/24/442517424.db2.gz ARPBSOMJGGEADU-DLBZAZTESA-N 2 0 335.492 1.998 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000186581624 442566836 /nfs/dbraw/zinc/56/68/36/442566836.db2.gz VCWPTFIJGRJBTN-QZTJIDSGSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000187287003 442667197 /nfs/dbraw/zinc/66/71/97/442667197.db2.gz AODLCGNROQHFFE-CQSZACIVSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH2+]CC(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000193134999 442716812 /nfs/dbraw/zinc/71/68/12/442716812.db2.gz ZODFNLLZFSIEAA-INIZCTEOSA-N 2 0 327.432 1.796 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000182364599 442760715 /nfs/dbraw/zinc/76/07/15/442760715.db2.gz IKDGIUCISHMUQO-VQTJNVASSA-N 2 0 331.504 1.692 20 0 EDADRP C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000246283684 442769423 /nfs/dbraw/zinc/76/94/23/442769423.db2.gz KEYUSOHENPNGSY-CVEARBPZSA-N 2 0 331.526 1.464 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000246868668 442819128 /nfs/dbraw/zinc/81/91/28/442819128.db2.gz CXRTUWLMYQZISU-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000268139999 442865301 /nfs/dbraw/zinc/86/53/01/442865301.db2.gz QSGHNYVZHPCUFP-SZVBFZGTSA-N 2 0 344.503 1.941 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183204286 442902632 /nfs/dbraw/zinc/90/26/32/442902632.db2.gz JMECTKCUVQAZLL-MRXNPFEDSA-N 2 0 334.464 1.626 20 0 EDADRP C[C@H](O)[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000183222258 442907294 /nfs/dbraw/zinc/90/72/94/442907294.db2.gz UPQGEPIKIIRKJE-LPHOPBHVSA-N 2 0 345.487 1.601 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC000248630540 442909940 /nfs/dbraw/zinc/90/99/40/442909940.db2.gz OZQUGPGGJKOTGB-HOTGVXAUSA-N 2 0 348.491 1.345 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)CCN2CC[NH+](C)CC2)C[C@@H]1C ZINC000248649214 442913136 /nfs/dbraw/zinc/91/31/36/442913136.db2.gz VGIVDCBIMQAWDL-XWTMOSNGSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H]1CCC[C@@H](CO)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249363852 442968933 /nfs/dbraw/zinc/96/89/33/442968933.db2.gz UBISBUVKBVUFTN-BPQIPLTHSA-N 2 0 333.476 1.641 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000194962901 442972487 /nfs/dbraw/zinc/97/24/87/442972487.db2.gz PSJHDTIUESMLHJ-IXDOHACOSA-N 2 0 340.512 1.611 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000184143292 442996482 /nfs/dbraw/zinc/99/64/82/442996482.db2.gz OLMJKVFYEGDMTP-UHFFFAOYSA-N 2 0 334.464 1.755 20 0 EDADRP C[C@@H](CNC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1)C[NH+]1CCCC1 ZINC000249104017 442951611 /nfs/dbraw/zinc/95/16/11/442951611.db2.gz KRGAXGINZUTGRX-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CO[C@@H]1C[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@H](OC)C3)COC2)CC[C@@H]1C ZINC000252006995 443020499 /nfs/dbraw/zinc/02/04/99/443020499.db2.gz XDIVFPIAMFDSEZ-WNRNVDISSA-N 2 0 340.508 1.717 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000184587975 443044464 /nfs/dbraw/zinc/04/44/64/443044464.db2.gz RGSNGVSLCIXZNK-UHFFFAOYSA-N 2 0 348.491 1.264 20 0 EDADRP CN(CCC[NH2+]Cc1ncc(Br)s1)CC[NH+](C)C ZINC000623087971 450398610 /nfs/dbraw/zinc/39/86/10/450398610.db2.gz RAUIMGYQSKIVMJ-UHFFFAOYSA-N 2 0 335.315 1.879 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1cnccn1 ZINC000268790475 443108917 /nfs/dbraw/zinc/10/89/17/443108917.db2.gz GFKSFKBPHNRSCR-INIZCTEOSA-N 2 0 326.448 1.735 20 0 EDADRP COc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](C)CC2)cc1NC(C)=O ZINC000268990032 443167730 /nfs/dbraw/zinc/16/77/30/443167730.db2.gz MFITUXFDDZXWOK-CYBMUJFWSA-N 2 0 335.448 1.761 20 0 EDADRP C[C@H]1CCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)[C@H](C[NH3+])C1 ZINC000261819076 443171043 /nfs/dbraw/zinc/17/10/43/443171043.db2.gz NYJTUMCBUFVQRZ-LPHOPBHVSA-N 2 0 344.503 1.633 20 0 EDADRP COCc1cccc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)c1 ZINC000261894955 443173379 /nfs/dbraw/zinc/17/33/79/443173379.db2.gz ASTMOBYTNWCDFR-MOPGFXCFSA-N 2 0 345.487 1.913 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000261979773 443177063 /nfs/dbraw/zinc/17/70/63/443177063.db2.gz RFWFAUKVVODFPI-XIRDDKMYSA-N 2 0 334.464 1.622 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)COC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185719467 443244345 /nfs/dbraw/zinc/24/43/45/443244345.db2.gz YYGPGKRGRGNUJN-NBMJBFSESA-N 2 0 340.508 1.786 20 0 EDADRP C[C@@H](C(=O)N1CCC(OCCC[NH3+])CC1)[N@H+](C)Cc1ccccc1 ZINC000269187801 443226380 /nfs/dbraw/zinc/22/63/80/443226380.db2.gz GZKKSIHRMYPWPY-INIZCTEOSA-N 2 0 333.476 1.863 20 0 EDADRP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000269226863 443240995 /nfs/dbraw/zinc/24/09/95/443240995.db2.gz ARWZEFJLJBLUAD-GOEBONIOSA-N 2 0 332.448 1.306 20 0 EDADRP COC1(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000383430644 319125372 /nfs/dbraw/zinc/12/53/72/319125372.db2.gz BSNRRKZYASRGKP-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1C[NH2+]CCO1)c1cccc(OC)c1 ZINC000269250480 443251248 /nfs/dbraw/zinc/25/12/48/443251248.db2.gz YAMJVVVHCRPDOX-MSOLQXFVSA-N 2 0 349.475 1.573 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCO[C@H]2c2ccccc2)CC1 ZINC000411646426 319191457 /nfs/dbraw/zinc/19/14/57/319191457.db2.gz MBJXOUJYTGXWBX-MJGOQNOKSA-N 2 0 331.460 1.707 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000269255111 443253110 /nfs/dbraw/zinc/25/31/10/443253110.db2.gz RLSWUELZWAYADW-UHFFFAOYSA-N 2 0 342.447 1.559 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCSC[C@@H]2C2CC2)CC1 ZINC000411784949 319203646 /nfs/dbraw/zinc/20/36/46/319203646.db2.gz HYUSYRRJTPAAKA-MRXNPFEDSA-N 2 0 325.522 1.803 20 0 EDADRP CCCCOCCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000269263555 443256844 /nfs/dbraw/zinc/25/68/44/443256844.db2.gz SNHQHIJKLUQQOW-SFHVURJKSA-N 2 0 344.459 1.734 20 0 EDADRP C[C@@H](CNC(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000413583648 319280367 /nfs/dbraw/zinc/28/03/67/319280367.db2.gz BGWZWQXSWJOCOS-INIZCTEOSA-N 2 0 348.491 1.263 20 0 EDADRP C[C@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000414186374 319317785 /nfs/dbraw/zinc/31/77/85/319317785.db2.gz HRNUZFMXJYXNEP-HNNXBMFYSA-N 2 0 336.455 1.668 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)CCCCC1 ZINC000414678936 319340800 /nfs/dbraw/zinc/34/08/00/319340800.db2.gz WBXSEHHOJRYGFU-UHFFFAOYSA-N 2 0 344.459 1.609 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414688018 319342759 /nfs/dbraw/zinc/34/27/59/319342759.db2.gz CPNSPKJYJWCXLG-HUUCEWRRSA-N 2 0 339.480 1.108 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1 ZINC000415259438 319358090 /nfs/dbraw/zinc/35/80/90/319358090.db2.gz UQCARJNBXQFHLJ-CQSZACIVSA-N 2 0 344.459 1.287 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000415339723 319361774 /nfs/dbraw/zinc/36/17/74/319361774.db2.gz YOJVHCHZIWWCEP-MRXNPFEDSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000415822611 319374010 /nfs/dbraw/zinc/37/40/10/319374010.db2.gz MQWLXRRIRHSXDC-QGZVFWFLSA-N 2 0 346.475 1.363 20 0 EDADRP CCC[C@@](C)(O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269328678 443283196 /nfs/dbraw/zinc/28/31/96/443283196.db2.gz WUYITMABBLNZDM-GOSISDBHSA-N 2 0 334.464 1.261 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)F)c1cccc(F)c1 ZINC000416825279 319463665 /nfs/dbraw/zinc/46/36/65/319463665.db2.gz AQKUKBLQPZTPMY-STQMWFEESA-N 2 0 332.370 1.710 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@H]([NH3+])C2CC2)[NH+]2CCCC2)cc1 ZINC000416816788 319463700 /nfs/dbraw/zinc/46/37/00/319463700.db2.gz HJJGBKGXKJBFEW-ROUUACIJSA-N 2 0 346.475 1.869 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000264572213 443331843 /nfs/dbraw/zinc/33/18/43/443331843.db2.gz SKAVWKZZHVBHNK-GOSISDBHSA-N 2 0 331.460 1.733 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000418860235 319526908 /nfs/dbraw/zinc/52/69/08/319526908.db2.gz LULGFAZETCFCEB-DLBZAZTESA-N 2 0 346.475 1.054 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418994769 319538244 /nfs/dbraw/zinc/53/82/44/319538244.db2.gz IBNMVHGPCKMWJT-UHFFFAOYSA-N 2 0 338.496 1.002 20 0 EDADRP C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000278774381 443434000 /nfs/dbraw/zinc/43/40/00/443434000.db2.gz YPNXWILNRKVDPW-UZLBHIALSA-N 2 0 347.503 1.847 20 0 EDADRP COc1ccc([C@H](NCC2CC[NH+](CCO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422973078 319743166 /nfs/dbraw/zinc/74/31/66/319743166.db2.gz BDZCXXYHUNDVKM-UXHICEINSA-N 2 0 347.503 1.782 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423184656 319755253 /nfs/dbraw/zinc/75/52/53/319755253.db2.gz MNFWTCCMPBTQCJ-DLBZAZTESA-N 2 0 325.497 1.773 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N1CC[C@H](C)[C@H](C[NH3+])C1)C(C)C ZINC000423421548 319773811 /nfs/dbraw/zinc/77/38/11/319773811.db2.gz XXJUSPHFTKHEKD-JKSUJKDBSA-N 2 0 340.512 1.007 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000423741933 319809381 /nfs/dbraw/zinc/80/93/81/319809381.db2.gz KTWIHEKXUFGZPZ-SFHVURJKSA-N 2 0 333.476 1.865 20 0 EDADRP O=C(NCCN1CCc2sccc2C1)N1CC[NH+](C2CCC2)CC1 ZINC000264980729 443498259 /nfs/dbraw/zinc/49/82/59/443498259.db2.gz FMMUXIWSTAMQQH-UHFFFAOYSA-N 2 0 348.516 1.986 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)C[C@@H]1CC[NH2+]C1 ZINC000427293679 319895668 /nfs/dbraw/zinc/89/56/68/319895668.db2.gz DOVOSLUFFBZRQG-SJORKVTESA-N 2 0 330.476 1.313 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000428456884 319913522 /nfs/dbraw/zinc/91/35/22/319913522.db2.gz WGAGBGMZIACQRA-UHFFFAOYSA-N 2 0 347.507 1.845 20 0 EDADRP O=C(Cc1ccncc1)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272381185 443608386 /nfs/dbraw/zinc/60/83/86/443608386.db2.gz JDGWOQXOPYXKGS-UHFFFAOYSA-N 2 0 339.443 1.348 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000286087259 443643178 /nfs/dbraw/zinc/64/31/78/443643178.db2.gz MOZUILFWSSOZSO-KGLIPLIRSA-N 2 0 332.448 1.304 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000438999998 320038163 /nfs/dbraw/zinc/03/81/63/320038163.db2.gz LECZCYPJQKGUGA-INIZCTEOSA-N 2 0 325.497 1.770 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([N@H+](C)C[C@@H](C)O)CC1)[NH+]1CCCCC1 ZINC000444358749 320127814 /nfs/dbraw/zinc/12/78/14/320127814.db2.gz ARNLTMAQJUMUIG-AEFFLSMTSA-N 2 0 339.524 1.801 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCCN1CCCO ZINC000449385004 320186206 /nfs/dbraw/zinc/18/62/06/320186206.db2.gz DDCIPMBEEDRGOD-SFHVURJKSA-N 2 0 329.448 1.512 20 0 EDADRP COC[C@]1(C)CC[NH+](CCOCC[N@H+]2CC[C@@](C)(COC)C2)C1 ZINC000451201162 320229928 /nfs/dbraw/zinc/22/99/28/320229928.db2.gz IRUFIXOASBVPQL-QZTJIDSGSA-N 2 0 328.497 1.720 20 0 EDADRP CC[C@H](C)[NH+]1CCN(CC(O)CN2CC[NH+]([C@@H](C)CC)CC2)CC1 ZINC000451841541 320239829 /nfs/dbraw/zinc/23/98/29/320239829.db2.gz LTWGENUQOQWIDC-ROUUACIJSA-N 2 0 340.556 1.180 20 0 EDADRP C[C@@H](NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@H+](C)CC1 ZINC000276239353 443674761 /nfs/dbraw/zinc/67/47/61/443674761.db2.gz YGDDJBQTKCWYHV-CQSZACIVSA-N 2 0 344.459 1.453 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000457600176 320330459 /nfs/dbraw/zinc/33/04/59/320330459.db2.gz MQGVFRAYCLLWPI-MRXNPFEDSA-N 2 0 335.492 1.432 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N[C@@H]1CCC[NH+](CCCO)C1 ZINC000458787252 320341383 /nfs/dbraw/zinc/34/13/83/320341383.db2.gz MNRBNFXMZXMMAA-HZPDHXFCSA-N 2 0 328.501 1.253 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)c1ccccc1C[NH+](C)C ZINC000487188691 320356285 /nfs/dbraw/zinc/35/62/85/320356285.db2.gz RRVHOTFMYSXUGS-INIZCTEOSA-N 2 0 332.492 1.504 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cccnc1 ZINC000491438082 320369780 /nfs/dbraw/zinc/36/97/80/320369780.db2.gz ZHJKKXYQICCLIV-LPADLIQXSA-N 2 0 330.476 1.969 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\c1cccnc1 ZINC000491438081 320369795 /nfs/dbraw/zinc/36/97/95/320369795.db2.gz ZHJKKXYQICCLIV-HJCTWCACSA-N 2 0 330.476 1.969 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C(F)F ZINC000519704080 320471444 /nfs/dbraw/zinc/47/14/44/320471444.db2.gz NJAOPWXKRIWANB-OAHLLOKOSA-N 2 0 340.418 1.297 20 0 EDADRP O=C(CN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)NCC(F)F ZINC000280904545 443771188 /nfs/dbraw/zinc/77/11/88/443771188.db2.gz PYDICNIPHAHZTP-HRCADAONSA-N 2 0 337.414 1.868 20 0 EDADRP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1cc(-n2ccnc2)ccn1 ZINC000288280170 443831014 /nfs/dbraw/zinc/83/10/14/443831014.db2.gz HGMQLJLAPXZUSH-HOCLYGCPSA-N 2 0 325.416 1.966 20 0 EDADRP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530241915 320617178 /nfs/dbraw/zinc/61/71/78/320617178.db2.gz RTKOBOPYXJONSM-HOCLYGCPSA-N 2 0 325.497 1.770 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cnn(Cc2ccccc2)c1 ZINC000531118984 320649418 /nfs/dbraw/zinc/64/94/18/320649418.db2.gz STLJADPUWRXVPO-UHFFFAOYSA-N 2 0 343.475 1.497 20 0 EDADRP C[NH+](C)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCC1(F)F ZINC000285178074 443884829 /nfs/dbraw/zinc/88/48/29/443884829.db2.gz QDLBZLOBFRPUJZ-HNNXBMFYSA-N 2 0 325.403 1.822 20 0 EDADRP CC(C)[C@@H](C[NH2+]C1CCN(c2cnccn2)CC1)N1CC[NH+](C)CC1 ZINC000531946867 320669554 /nfs/dbraw/zinc/66/95/54/320669554.db2.gz CXYZBTSRMMUGMQ-GOSISDBHSA-N 2 0 346.523 1.307 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc2c(c1)CCCC2 ZINC000532013846 320671443 /nfs/dbraw/zinc/67/14/43/320671443.db2.gz KGHVWEAIPKYHBU-UHFFFAOYSA-N 2 0 347.503 1.896 20 0 EDADRP CC(C)OC[C@@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336217 443946178 /nfs/dbraw/zinc/94/61/78/443946178.db2.gz CHXAXXPSAUAYMW-FQEVSTJZSA-N 2 0 349.519 1.522 20 0 EDADRP C[N@H+](CCN1CCOCC1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285439153 443984567 /nfs/dbraw/zinc/98/45/67/443984567.db2.gz LGFIORBWQSUFQC-UHFFFAOYSA-N 2 0 346.519 1.068 20 0 EDADRP CCC[C@@]1(CO)CC[N@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000288905223 444010149 /nfs/dbraw/zinc/01/01/49/444010149.db2.gz SXLHYAMWIXHBRJ-UYAOXDASSA-N 2 0 347.503 1.890 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(=O)NCC[NH+]1CCCCCC1 ZINC000554232479 320949293 /nfs/dbraw/zinc/94/92/93/320949293.db2.gz INMAQDDJUAVZQK-HNNXBMFYSA-N 2 0 340.512 1.262 20 0 EDADRP CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000554574177 320954420 /nfs/dbraw/zinc/95/44/20/320954420.db2.gz KBCMUKAEUPDEJQ-GOEBONIOSA-N 2 0 329.510 1.168 20 0 EDADRP C[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000557241971 321001113 /nfs/dbraw/zinc/00/11/13/321001113.db2.gz SLLYTRMHBXWXLU-WMZOPIPTSA-N 2 0 346.475 1.281 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CC(=O)NCc2ccccc2)CC1 ZINC000561280091 321038768 /nfs/dbraw/zinc/03/87/68/321038768.db2.gz DIXGRDDVTLGMSR-IEBWSBKVSA-N 2 0 331.460 1.521 20 0 EDADRP CN(C)C(=O)c1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000563150228 321099450 /nfs/dbraw/zinc/09/94/50/321099450.db2.gz LKUBBHAXAZUNEG-IYBDPMFKSA-N 2 0 344.459 1.258 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000299592863 444089821 /nfs/dbraw/zinc/08/98/21/444089821.db2.gz WNZJRUIDGLZOSA-LJQANCHMSA-N 2 0 344.503 1.535 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cccc(CN2CCO[C@H](C)C2)c1 ZINC000564823879 321150365 /nfs/dbraw/zinc/15/03/65/321150365.db2.gz MYFXFKZXFJZLDK-GIYDNNGJSA-N 2 0 347.503 1.749 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+][C@H]2CCc3cc(F)c(F)c(F)c32)CC1 ZINC000564860486 321152755 /nfs/dbraw/zinc/15/27/55/321152755.db2.gz PLEBUBSSDYZBIV-JSGCOSHPSA-N 2 0 343.393 1.289 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H]3CCC[C@H]([NH3+])C3)C2=O)c(OC)c1 ZINC000565226839 321176717 /nfs/dbraw/zinc/17/67/17/321176717.db2.gz OIQJDGZVKJQRMK-UXLLHSPISA-N 2 0 347.459 1.664 20 0 EDADRP CN(CC[NH2+][C@@H]1CCC[C@H]([NH3+])C1)S(=O)(=O)c1ccc(F)cc1 ZINC000565225845 321176722 /nfs/dbraw/zinc/17/67/22/321176722.db2.gz GRSJDTNSWKKSPB-UONOGXRCSA-N 2 0 329.441 1.306 20 0 EDADRP Cc1ccc(CC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1Br ZINC000565480080 321188390 /nfs/dbraw/zinc/18/83/90/321188390.db2.gz SXHSWOLOEGEOLG-CYBMUJFWSA-N 2 0 340.265 1.401 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000567584239 321246802 /nfs/dbraw/zinc/24/68/02/321246802.db2.gz ILWSGHLSARKIQA-LXPRWKDFSA-N 2 0 331.460 1.664 20 0 EDADRP COc1c(N)ncnc1N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000570817017 321359915 /nfs/dbraw/zinc/35/99/15/321359915.db2.gz ZXNFQCWEJNINCJ-STQMWFEESA-N 2 0 335.452 1.393 20 0 EDADRP C[C@@]1(CNC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CCC[NH2+]C1 ZINC000570815143 321359933 /nfs/dbraw/zinc/35/99/33/321359933.db2.gz ANXQIVFMZKEFTK-LJQANCHMSA-N 2 0 345.491 1.987 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]CC2Cc3ccccc3C2)CC1 ZINC000570893194 321361784 /nfs/dbraw/zinc/36/17/84/321361784.db2.gz WZNZMORRTWIASO-UHFFFAOYSA-N 2 0 331.504 1.381 20 0 EDADRP C[C@@H](C(=O)NC1CCC(N2CC[NH2+]CC2)CC1)[C@H]([NH3+])c1ccccc1 ZINC000570941239 321365279 /nfs/dbraw/zinc/36/52/79/321365279.db2.gz TXQTXNKXXBXMNV-HJZRJOMTSA-N 2 0 344.503 1.655 20 0 EDADRP CC(C)CNC(=O)CN1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000289338640 444112270 /nfs/dbraw/zinc/11/22/70/444112270.db2.gz LQLSGWLSHNVAFC-MRXNPFEDSA-N 2 0 346.475 1.907 20 0 EDADRP Cc1ccsc1CNC(=O)C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289546444 444168947 /nfs/dbraw/zinc/16/89/47/444168947.db2.gz WZCDHSGEFDTVNR-UHFFFAOYSA-N 2 0 340.537 1.488 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)[N@H+]1C ZINC000296188338 444210689 /nfs/dbraw/zinc/21/06/89/444210689.db2.gz CSFCSRMCSXYMGG-IYBDPMFKSA-N 2 0 348.491 1.861 20 0 EDADRP COCCOCc1ccc(C[NH2+]CCCN2CCC[C@@H]2C(N)=O)cc1 ZINC000289760717 444199889 /nfs/dbraw/zinc/19/98/89/444199889.db2.gz OOPFXFOHOOCFNC-GOSISDBHSA-N 2 0 349.475 1.279 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CNC[C@@](C)(O)C[NH+](C)C)CC1 ZINC000305205431 444265018 /nfs/dbraw/zinc/26/50/18/444265018.db2.gz CLDDPBJUDGNYKN-LJQANCHMSA-N 2 0 334.508 1.231 20 0 EDADRP Cc1cc(NC(=O)N2CC[N@H+](CC(C)(C)O)[C@@H](C)C2)cn2ccnc12 ZINC000297017336 444268394 /nfs/dbraw/zinc/26/83/94/444268394.db2.gz QDCSJHAPTPGYNH-AWEZNQCLSA-N 2 0 345.447 1.952 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000289994700 444228266 /nfs/dbraw/zinc/22/82/66/444228266.db2.gz OZPIJXYDLOITQP-SQNIBIBYSA-N 2 0 331.460 1.392 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)c1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000302889203 444230044 /nfs/dbraw/zinc/23/00/44/444230044.db2.gz NCFQAAAYSFVTIV-HZPDHXFCSA-N 2 0 333.480 1.606 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000290026615 444232570 /nfs/dbraw/zinc/23/25/70/444232570.db2.gz CPKNSADMUZPXHL-FUHWJXTLSA-N 2 0 345.491 1.084 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000296589471 444241259 /nfs/dbraw/zinc/24/12/59/444241259.db2.gz XMXRNVCFXLXBOS-INIZCTEOSA-N 2 0 330.476 1.455 20 0 EDADRP O=C(Nc1cccc2c1CC[NH2+]C2)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000577382652 321647870 /nfs/dbraw/zinc/64/78/70/321647870.db2.gz MEDPAOGCPSCXFF-CYBMUJFWSA-N 2 0 326.404 1.101 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+][C@H]2CCCc3c(F)cc(F)cc32)CC1 ZINC000577386541 321648370 /nfs/dbraw/zinc/64/83/70/321648370.db2.gz PTOXBWLYZWSMTK-KDOFPFPSSA-N 2 0 339.430 1.540 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)NCc2ccc3c[nH+]cn3c2)CC1(C)C ZINC000297602103 444307308 /nfs/dbraw/zinc/30/73/08/444307308.db2.gz DTKHYIVRWOUZGZ-UHFFFAOYSA-N 2 0 344.463 1.160 20 0 EDADRP Cn1cncc1CNC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000290809842 444325840 /nfs/dbraw/zinc/32/58/40/444325840.db2.gz VQLDBKRHSCBPAS-INIZCTEOSA-N 2 0 327.432 1.884 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H](C)C[NH+]2CCC(C)CC2)CC1 ZINC000577769410 321681670 /nfs/dbraw/zinc/68/16/70/321681670.db2.gz KHLIPWPCSGFBCY-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H](C(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2)[C@@H]([NH3+])c1ccccc1 ZINC000577868628 321690290 /nfs/dbraw/zinc/69/02/90/321690290.db2.gz CKCRPDSGHGNRMK-USXIJHARSA-N 2 0 331.460 1.536 20 0 EDADRP CC[NH+]1CCN(Cc2cncc(CN3CC[NH+](CC)CC3)c2)CC1 ZINC000577973773 321701679 /nfs/dbraw/zinc/70/16/79/321701679.db2.gz KRECGEQWRKIHRY-UHFFFAOYSA-N 2 0 331.508 1.357 20 0 EDADRP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000578872193 321845896 /nfs/dbraw/zinc/84/58/96/321845896.db2.gz SDJVYUGFJWRAIS-KSSFIOAISA-N 2 0 331.460 1.827 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000327526549 444382896 /nfs/dbraw/zinc/38/28/96/444382896.db2.gz IYDJLHOLWFEYOR-YTQUADARSA-N 2 0 346.519 1.711 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(OCCC[NH+](C)C)cc1)[NH+]1CC(C)C1 ZINC000579731427 321967219 /nfs/dbraw/zinc/96/72/19/321967219.db2.gz ZCDIPLGJPXXRGK-INIZCTEOSA-N 2 0 333.476 1.974 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1CC[NH2+][C@@H]1C)[NH+]1CCCC1 ZINC000579945855 321989740 /nfs/dbraw/zinc/98/97/40/321989740.db2.gz UUPCAGVVGGYJLM-INMHGKMJSA-N 2 0 331.460 1.946 20 0 EDADRP CCOC[C@@H](O)C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000580063926 322003717 /nfs/dbraw/zinc/00/37/17/322003717.db2.gz BOQPAYJHHFIBBA-ZBFHGGJFSA-N 2 0 339.455 1.626 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1)[C@H](C)[NH3+] ZINC000580559584 322067159 /nfs/dbraw/zinc/06/71/59/322067159.db2.gz OOPZVTAYVAJCOP-WMLDXEAASA-N 2 0 333.480 1.069 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCC(CC[NH3+])CC1)[NH+]1CCN(C)CC1 ZINC000580560207 322067881 /nfs/dbraw/zinc/06/78/81/322067881.db2.gz UDMMKTWVYUINGO-QGZVFWFLSA-N 2 0 339.528 1.029 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)CC1 ZINC000580573923 322070516 /nfs/dbraw/zinc/07/05/16/322070516.db2.gz SIYLAXFRRVKRCB-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000580725324 322088236 /nfs/dbraw/zinc/08/82/36/322088236.db2.gz ARNYBBBWWDSULR-DLBZAZTESA-N 2 0 330.476 1.948 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)CCS3(=O)=O)[C@@H]2CCC[C@@H]21 ZINC000580908333 322111231 /nfs/dbraw/zinc/11/12/31/322111231.db2.gz IOONCURCKOEPJN-ULQDDVLXSA-N 2 0 334.485 1.979 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000581235756 322152126 /nfs/dbraw/zinc/15/21/26/322152126.db2.gz IDLWEGHSQLUMKC-OWCLPIDISA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH+](C3CCC3)CC2)[C@@H](C)C[N@@H+]1CCO ZINC000581241361 322153210 /nfs/dbraw/zinc/15/32/10/322153210.db2.gz JQYRYLFFNNIWME-CABCVRRESA-N 2 0 338.496 1.100 20 0 EDADRP COc1cc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)ccc1OCC[NH+](C)C ZINC000581616844 322200574 /nfs/dbraw/zinc/20/05/74/322200574.db2.gz ZZVFDYVLNDVKBQ-OAHLLOKOSA-N 2 0 349.475 1.594 20 0 EDADRP [NH3+][C@H]1CCC[C@H](CNC(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC000581716198 322212499 /nfs/dbraw/zinc/21/24/99/322212499.db2.gz SEHSLELWLGWALV-ULQDDVLXSA-N 2 0 338.496 1.258 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000581886762 322228870 /nfs/dbraw/zinc/22/88/70/322228870.db2.gz RLIHNOOKDNWQBI-IRXDYDNUSA-N 2 0 345.491 1.322 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)NCCCOC3CCCCC3)C[C@@H]21 ZINC000342150162 444535872 /nfs/dbraw/zinc/53/58/72/444535872.db2.gz XDUCQENRFDIXJB-BPQIPLTHSA-N 2 0 337.508 1.901 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@@H]1C(F)F ZINC000338123132 444525337 /nfs/dbraw/zinc/52/53/37/444525337.db2.gz WXSFDGOXDGHPNQ-GJZGRUSLSA-N 2 0 338.402 1.611 20 0 EDADRP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO ZINC000342260954 444595987 /nfs/dbraw/zinc/59/59/87/444595987.db2.gz QBDHUKABDBYINT-MSOLQXFVSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@H]2CCO[C@H](c3cncn3C)C2)C1 ZINC000332997042 444624950 /nfs/dbraw/zinc/62/49/50/444624950.db2.gz DVKRSUXOJDMUEP-VYDXJSESSA-N 2 0 349.479 1.671 20 0 EDADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)N1CCOC2(C[NH2+]C2)C1 ZINC000333161633 444644454 /nfs/dbraw/zinc/64/44/54/444644454.db2.gz GNNWKQFXBQSASW-UHFFFAOYSA-N 2 0 336.480 1.167 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000333818323 444700778 /nfs/dbraw/zinc/70/07/78/444700778.db2.gz KLNGVQPPTJZGBN-XYJFISCASA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)NCCNc2cc[nH+]cc2)cc1 ZINC000342511004 444724047 /nfs/dbraw/zinc/72/40/47/444724047.db2.gz NXNCUNOPJHTVGN-UHFFFAOYSA-N 2 0 341.459 1.519 20 0 EDADRP CN(C)c1nccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000341140717 444693353 /nfs/dbraw/zinc/69/33/53/444693353.db2.gz RSXIAMVWDRIGLS-UHFFFAOYSA-N 2 0 333.480 1.619 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CCCC[NH+]2C2CC2)C[C@H](C)[N@H+]1CCO ZINC000334013545 444747691 /nfs/dbraw/zinc/74/76/91/444747691.db2.gz XCLSUUBOVHRNCH-UXLLHSPISA-N 2 0 338.496 1.100 20 0 EDADRP C[C@@H](CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000344061534 444758705 /nfs/dbraw/zinc/75/87/05/444758705.db2.gz PURIFKRWJBANSC-HKUYNNGSSA-N 2 0 344.503 1.403 20 0 EDADRP CC[C@H]1CN(C(=O)NCCC[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000344091827 444776982 /nfs/dbraw/zinc/77/69/82/444776982.db2.gz FBDAHPQXWBRAIN-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000336793782 444797025 /nfs/dbraw/zinc/79/70/25/444797025.db2.gz YIMXZNZKLJHVOS-ZJOUEHCJSA-N 2 0 343.515 1.895 20 0 EDADRP CCC[N@H+](CCN1CC[NH+](CC)CC1)CCN1CCOC[C@@H]1C ZINC000344131038 444798603 /nfs/dbraw/zinc/79/86/03/444798603.db2.gz NEYYNHJCQJSHEJ-SFHVURJKSA-N 2 0 326.529 1.057 20 0 EDADRP CN(C)c1nccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)n1 ZINC000341470666 444848450 /nfs/dbraw/zinc/84/84/50/444848450.db2.gz GSHXGAXMCYMBHN-UHFFFAOYSA-N 2 0 347.507 1.867 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000342900048 444928677 /nfs/dbraw/zinc/92/86/77/444928677.db2.gz YMYADKJWCSMNDO-AWEZNQCLSA-N 2 0 340.512 1.212 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1)c1nccn1C ZINC000341690126 444949388 /nfs/dbraw/zinc/94/93/88/444949388.db2.gz AHAHWHDICCSWIT-INIZCTEOSA-N 2 0 328.464 1.678 20 0 EDADRP Cc1nccc(N2CC[NH+](C[C@H](O)Cc3ccc(F)cc3)CC2)n1 ZINC000339088458 445026931 /nfs/dbraw/zinc/02/69/31/445026931.db2.gz PKKMIVONBWMECF-QGZVFWFLSA-N 2 0 330.407 1.650 20 0 EDADRP C[N@H+](CC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)[C@H]1CCSC1 ZINC000344454423 444984156 /nfs/dbraw/zinc/98/41/56/444984156.db2.gz MNRFKTRGMJYHLN-BHYGNILZSA-N 2 0 337.533 1.899 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](CC)C[C@@H]3C)cc2)CC1 ZINC000341779479 444998034 /nfs/dbraw/zinc/99/80/34/444998034.db2.gz ZWAPOSJKMPLKLJ-KRWDZBQOSA-N 2 0 344.503 1.995 20 0 EDADRP COC(=O)CC1CC[NH+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000337329706 445034787 /nfs/dbraw/zinc/03/47/87/445034787.db2.gz FJILRFKQCLLHHU-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000343020550 445009705 /nfs/dbraw/zinc/00/97/05/445009705.db2.gz QUFNQHRSVLKFFL-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000337380509 445056600 /nfs/dbraw/zinc/05/66/00/445056600.db2.gz IUSHGTBZTOJSDC-GOSISDBHSA-N 2 0 339.524 1.315 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CCNS(=O)(=O)c2ccccc2)[C@@H](C)C1 ZINC000330658121 445083359 /nfs/dbraw/zinc/08/33/59/445083359.db2.gz QFJQNCRGXSRNCW-GOEBONIOSA-N 2 0 325.478 1.285 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccc(C[NH+](C)C)nc2)C1 ZINC000339237912 445106259 /nfs/dbraw/zinc/10/62/59/445106259.db2.gz JVNBDLMGHXXHOX-KRWDZBQOSA-N 2 0 334.464 1.230 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1ccsc1 ZINC000343192213 445126005 /nfs/dbraw/zinc/12/60/05/445126005.db2.gz SWADPKKDGSISFP-KGLIPLIRSA-N 2 0 327.519 1.904 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000337654926 445189570 /nfs/dbraw/zinc/18/95/70/445189570.db2.gz OFJCZWJQIVOWJT-QGZVFWFLSA-N 2 0 338.496 1.226 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000343218192 445145045 /nfs/dbraw/zinc/14/50/45/445145045.db2.gz SDNAJLPKOOEJAQ-IRXDYDNUSA-N 2 0 335.517 1.713 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CCC[C@H](c3ncc4n3CCCC4)C2)C1 ZINC000337574301 445145385 /nfs/dbraw/zinc/14/53/85/445145385.db2.gz VCWJYSXSYRRUDL-RDJZCZTQSA-N 2 0 346.475 1.646 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)C(C)C ZINC000339496872 445146035 /nfs/dbraw/zinc/14/60/35/445146035.db2.gz FLLOMWZXECOCCE-UHFFFAOYSA-N 2 0 340.512 1.258 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@H]2C[N@@H+]3CCN2CCC3)[NH+](C)C)cc1 ZINC000343342100 445205394 /nfs/dbraw/zinc/20/53/94/445205394.db2.gz ULACLOCPPWNIRR-QZTJIDSGSA-N 2 0 330.476 1.104 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000343363018 445210547 /nfs/dbraw/zinc/21/05/47/445210547.db2.gz GBUZQXQBMZFAGH-CRAIPNDOSA-N 2 0 335.496 1.113 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC000346575233 445218680 /nfs/dbraw/zinc/21/86/80/445218680.db2.gz SHYGBRZJWPLUKW-LPHOPBHVSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)NC(=O)CC[N@H+](C)C[C@@H]1CCCN(C)[C@@H]1c1ccnn1C ZINC000346933508 445228313 /nfs/dbraw/zinc/22/83/13/445228313.db2.gz PZJTZNLAXUMGLU-YJBOKZPZSA-N 2 0 335.496 1.650 20 0 EDADRP C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@@H]2C[NH+](C)CCN2C)C1 ZINC000348530764 445315729 /nfs/dbraw/zinc/31/57/29/445315729.db2.gz BPYGHEPCTMPXAH-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3c(c2)NC(=O)CO3)C1 ZINC000351687221 445271942 /nfs/dbraw/zinc/27/19/42/445271942.db2.gz VFPJBBAMSCIEMR-INIZCTEOSA-N 2 0 347.459 1.950 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000354513670 445272946 /nfs/dbraw/zinc/27/29/46/445272946.db2.gz RUGLVSGRIYWFEQ-WMZOPIPTSA-N 2 0 339.524 1.802 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)N[C@H](C)C[NH+]1CCCCCC1)C(C)C ZINC000343682879 445300976 /nfs/dbraw/zinc/30/09/76/445300976.db2.gz HFDZIPGPGXICFJ-MRXNPFEDSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000351822916 445333845 /nfs/dbraw/zinc/33/38/45/445333845.db2.gz PNBBRCSFXKCHOF-ZWKOTPCHSA-N 2 0 344.503 1.785 20 0 EDADRP COc1cc(OC)c(NC(=O)CN2CC[C@H]([C@@H](C)[NH3+])C2)cc1Cl ZINC000351864502 445347212 /nfs/dbraw/zinc/34/72/12/445347212.db2.gz YIWPUSAGZDINBG-MNOVXSKESA-N 2 0 341.839 1.965 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000362495094 445411514 /nfs/dbraw/zinc/41/15/14/445411514.db2.gz VACGIUVICYQTBZ-YCPHGPKFSA-N 2 0 328.526 1.452 20 0 EDADRP C[C@@H](C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357078901 445412399 /nfs/dbraw/zinc/41/23/99/445412399.db2.gz KMMLDYKXMXPOPO-BBRMVZONSA-N 2 0 344.459 1.434 20 0 EDADRP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)NCc1ccc2c(c1)OCO2 ZINC000357091092 445421966 /nfs/dbraw/zinc/42/19/66/445421966.db2.gz VVFKZAJKUBDNRO-INIZCTEOSA-N 2 0 345.443 1.353 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NC(=O)NCc1ccccc1 ZINC000357090425 445422208 /nfs/dbraw/zinc/42/22/08/445422208.db2.gz VOOFSZLZVAOVQJ-QGZVFWFLSA-N 2 0 344.459 1.334 20 0 EDADRP C[NH+]1CCC(C)(CNC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000357051189 445395967 /nfs/dbraw/zinc/39/59/67/445395967.db2.gz OVEQBJLUYPHSFL-UHFFFAOYSA-N 2 0 326.485 1.130 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000352081342 445479081 /nfs/dbraw/zinc/47/90/81/445479081.db2.gz DTADRZYRWABYPM-UHFFFAOYSA-N 2 0 331.482 1.315 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CO1 ZINC000352040766 445455593 /nfs/dbraw/zinc/45/55/93/445455593.db2.gz WGBKJWDSUDAQET-HZPDHXFCSA-N 2 0 332.448 1.135 20 0 EDADRP C[C@@H]1C[N@H+](CCCOCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000362701865 445507552 /nfs/dbraw/zinc/50/75/52/445507552.db2.gz LACYAACQLOIUOL-HUUCEWRRSA-N 2 0 337.430 1.913 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@H]2C[C@@H]2C2CC[NH2+]CC2)cc1 ZINC000360002217 445521705 /nfs/dbraw/zinc/52/17/05/445521705.db2.gz ANOOFHZQNROBOO-SJORKVTESA-N 2 0 337.489 1.415 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000355964015 445547385 /nfs/dbraw/zinc/54/73/85/445547385.db2.gz ARWUUKNYEACRFY-OAHLLOKOSA-N 2 0 328.501 1.515 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)N(C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000360163334 445604850 /nfs/dbraw/zinc/60/48/50/445604850.db2.gz OSFSIQRNCZSNEV-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H]2OCCN(C)[C@@H]2C1 ZINC000358150355 445608472 /nfs/dbraw/zinc/60/84/72/445608472.db2.gz ZXKVMOXLSXRABW-XHSDSOJGSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccccc1 ZINC000356091123 445615387 /nfs/dbraw/zinc/61/53/87/445615387.db2.gz GQDHJSVBLDDUMV-QGZVFWFLSA-N 2 0 327.432 1.518 20 0 EDADRP CC(C)c1cc(NCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000360217133 445634663 /nfs/dbraw/zinc/63/46/63/445634663.db2.gz DFBQTKZDGMLJEX-GJZGRUSLSA-N 2 0 335.496 2.577 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccccc1C[NH+]1CCC(O)CC1 ZINC000362986398 445639393 /nfs/dbraw/zinc/63/93/93/445639393.db2.gz KLWVVPITKNAKSI-RHSMWYFYSA-N 2 0 331.460 1.780 20 0 EDADRP CSC1(CNC(=O)N[C@@H](C)C2=CC[N@H+](C)CC2)CC[NH+](C)CC1 ZINC000357910703 445592126 /nfs/dbraw/zinc/59/21/26/445592126.db2.gz CGRYYXPPHPMXOH-AWEZNQCLSA-N 2 0 340.537 1.763 20 0 EDADRP C[C@H](C[NH+](C)C)NC(=O)N[C@@H](c1nccn1C)c1cccc(F)c1 ZINC000349726070 445656572 /nfs/dbraw/zinc/65/65/72/445656572.db2.gz XYSBFVYFAAXUDR-IUODEOHRSA-N 2 0 333.411 1.898 20 0 EDADRP C[C@@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000360248143 445654891 /nfs/dbraw/zinc/65/48/91/445654891.db2.gz GECHXGAIIIFTBC-HLLBOEOZSA-N 2 0 342.553 1.843 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]([NH3+])CCSC)CCCC2)CC1 ZINC000353583080 445666604 /nfs/dbraw/zinc/66/66/04/445666604.db2.gz UQTMNACFHSLBGB-OAHLLOKOSA-N 2 0 343.537 1.607 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000353683659 445705596 /nfs/dbraw/zinc/70/55/96/445705596.db2.gz ZMOVIIBFCKZLSF-MOPGFXCFSA-N 2 0 343.475 1.803 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CC[C@@H](CO)O2)CC1 ZINC000353683398 445705731 /nfs/dbraw/zinc/70/57/31/445705731.db2.gz FMAACUIELQPHEB-ROUUACIJSA-N 2 0 333.476 1.458 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1CC[NH+](C2CCCC2)C1 ZINC000349915983 445720870 /nfs/dbraw/zinc/72/08/70/445720870.db2.gz NXJGWOVWBYLKEQ-RDJZCZTQSA-N 2 0 338.496 1.413 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000363083754 445671018 /nfs/dbraw/zinc/67/10/18/445671018.db2.gz AROYNZYEVYWFML-ZWKOTPCHSA-N 2 0 346.475 1.411 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)NC[C@]2(O)CC[NH+](C)C2)c1 ZINC000358721816 445742157 /nfs/dbraw/zinc/74/21/57/445742157.db2.gz NSPPBUFRZXWHEA-GOSISDBHSA-N 2 0 334.464 1.004 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@H](C[NH3+])c2ccc(F)cc2)CCSC1 ZINC000358865271 445818566 /nfs/dbraw/zinc/81/85/66/445818566.db2.gz MHTPOMSIKMKSJM-ZBFHGGJFSA-N 2 0 325.453 1.422 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000363480609 445822904 /nfs/dbraw/zinc/82/29/04/445822904.db2.gz DLMCEQBMWOCPBX-OWCLPIDISA-N 2 0 326.485 1.127 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000358877122 445826876 /nfs/dbraw/zinc/82/68/76/445826876.db2.gz DIMBIHJLNBGULN-PBHICJAKSA-N 2 0 335.423 1.049 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(C(N)=O)CCCC2)[C@H](C)C1 ZINC000361494077 445787177 /nfs/dbraw/zinc/78/71/77/445787177.db2.gz WLFNXRBXPUDBRU-HZPDHXFCSA-N 2 0 325.497 1.759 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)C2)C1 ZINC000350225016 445795546 /nfs/dbraw/zinc/79/55/46/445795546.db2.gz UKULAYADQVQSRG-SJORKVTESA-N 2 0 325.497 1.678 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000353887477 445798757 /nfs/dbraw/zinc/79/87/57/445798757.db2.gz JMTOEEXJFHRMEK-CABCVRRESA-N 2 0 347.463 1.405 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1ccnc(C[NH3+])c1 ZINC000361614470 445848688 /nfs/dbraw/zinc/84/86/88/445848688.db2.gz CZTFWGICWAIGLG-UHFFFAOYSA-N 2 0 328.416 1.411 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](NC(=O)/C=C/C[NH+](C)C)[C@@H](C)C2)s1 ZINC000363550647 445855869 /nfs/dbraw/zinc/85/58/69/445855869.db2.gz DXNBHRKQRUFDCO-PXONKACGSA-N 2 0 336.505 1.896 20 0 EDADRP c1ccc(-n2nnnc2CC[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000582836233 325939188 /nfs/dbraw/zinc/93/91/88/325939188.db2.gz TVHBLFVYPJYZCB-KRWDZBQOSA-N 2 0 326.448 1.669 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1)c1cccc(F)c1 ZINC000359214339 446042903 /nfs/dbraw/zinc/04/29/03/446042903.db2.gz AGXPPFSZEVQMJK-DOTOQJQBSA-N 2 0 334.439 1.964 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC000369238786 446014212 /nfs/dbraw/zinc/01/42/12/446014212.db2.gz SHTNGBYRILXBCL-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000365085340 446014400 /nfs/dbraw/zinc/01/44/00/446014400.db2.gz DOCKERNMPQNDQF-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP CCOC[C@H](O)C[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000583316965 326048183 /nfs/dbraw/zinc/04/81/83/326048183.db2.gz GAVFUPXSAIDEGG-MOPGFXCFSA-N 2 0 335.492 1.352 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000583567915 326097860 /nfs/dbraw/zinc/09/78/60/326097860.db2.gz PVIDIESTPPBHTO-UHFFFAOYSA-N 2 0 332.492 1.206 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cncc(C(F)(F)F)c1 ZINC000583658503 326112395 /nfs/dbraw/zinc/11/23/95/326112395.db2.gz DLFADAGYIRZWHH-UHFFFAOYSA-N 2 0 332.370 1.666 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000365219048 446083723 /nfs/dbraw/zinc/08/37/23/446083723.db2.gz JDHPIDXDUXRPRI-GOSISDBHSA-N 2 0 333.476 1.421 20 0 EDADRP CC[C@@H](C(=O)NCC1([NH+]2CCN(C)CC2)CCCCCC1)[NH+](C)C ZINC000366295616 446134939 /nfs/dbraw/zinc/13/49/39/446134939.db2.gz MIMJPISLASNDQT-KRWDZBQOSA-N 2 0 338.540 1.783 20 0 EDADRP C[C@@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)C[NH+]1CCCC1 ZINC000359350127 446167875 /nfs/dbraw/zinc/16/78/75/446167875.db2.gz JEPJXANROGEEEV-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP O=C(N[C@@H]1CC[NH+](C2CC2)C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359368361 446177222 /nfs/dbraw/zinc/17/72/22/446177222.db2.gz SEOJHXUPSNBVET-IAGOWNOFSA-N 2 0 328.460 1.797 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369683113 446145708 /nfs/dbraw/zinc/14/57/08/446145708.db2.gz IYJLDSADZXEPHN-CQSZACIVSA-N 2 0 336.484 2.002 20 0 EDADRP CC[N@H+](CCNC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)C1CC1 ZINC000369681034 446146054 /nfs/dbraw/zinc/14/60/54/446146054.db2.gz HDPPUSRIXVCXSS-UHFFFAOYSA-N 2 0 334.468 1.756 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccn1 ZINC000373299649 446152375 /nfs/dbraw/zinc/15/23/75/446152375.db2.gz AFEQUJVFVHBBGS-HZPDHXFCSA-N 2 0 332.448 1.379 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)CC1 ZINC000366327726 446154335 /nfs/dbraw/zinc/15/43/35/446154335.db2.gz SVVOWDUVCRBFJA-MSOLQXFVSA-N 2 0 336.524 1.426 20 0 EDADRP CO[C@@H]1CCCC[C@H]1NC(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000369789975 446156046 /nfs/dbraw/zinc/15/60/46/446156046.db2.gz JYNMFNOUSLZVHS-USXIJHARSA-N 2 0 338.496 1.412 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)CC[NH2+]C1 ZINC000366331357 446157502 /nfs/dbraw/zinc/15/75/02/446157502.db2.gz GVZISPZSMZTIBQ-LPHOPBHVSA-N 2 0 349.475 1.857 20 0 EDADRP COCC1(C(=O)N2C[C@@H]([NH3+])[C@@H](c3ccc(F)cc3)C2)CC[NH2+]CC1 ZINC000366419874 446203448 /nfs/dbraw/zinc/20/34/48/446203448.db2.gz UOOUFTPLMJHYJO-HZPDHXFCSA-N 2 0 335.423 1.095 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC000365483091 446227517 /nfs/dbraw/zinc/22/75/17/446227517.db2.gz JBPMSGZOGZCJOK-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP COCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CC[C@@H](C)C1 ZINC000362151048 446238007 /nfs/dbraw/zinc/23/80/07/446238007.db2.gz RKHVSVIEVLAUEC-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000362238501 446279839 /nfs/dbraw/zinc/27/98/39/446279839.db2.gz QUTHGTIROIDOES-HOJAQTOUSA-N 2 0 329.488 1.745 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)N2CCCO[C@H](C[NH3+])C2)[NH+](C)C)cc1 ZINC000417318327 446343536 /nfs/dbraw/zinc/34/35/36/446343536.db2.gz YMDFVTISKZNQIO-IAGOWNOFSA-N 2 0 334.464 1.357 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[C@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000417490037 446354467 /nfs/dbraw/zinc/35/44/67/446354467.db2.gz GKNCKUWFSJCYMT-NJAFHUGGSA-N 2 0 348.491 1.827 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@H]1C)c1ccccc1 ZINC000417490038 446355241 /nfs/dbraw/zinc/35/52/41/446355241.db2.gz GKNCKUWFSJCYMT-NXHRZFHOSA-N 2 0 348.491 1.827 20 0 EDADRP COC(=O)[C@H]1C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1(C)C ZINC000374324336 446362770 /nfs/dbraw/zinc/36/27/70/446362770.db2.gz KGLJZJUYWYLKHW-MRXNPFEDSA-N 2 0 325.497 1.534 20 0 EDADRP C[C@@H](CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000417809318 446374382 /nfs/dbraw/zinc/37/43/82/446374382.db2.gz HDAUCXJLZHVFHZ-RYQLBKOJSA-N 2 0 330.476 1.758 20 0 EDADRP CN(C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000417949263 446395268 /nfs/dbraw/zinc/39/52/68/446395268.db2.gz KCYLQVMAIDYDRM-MRXNPFEDSA-N 2 0 349.479 1.306 20 0 EDADRP C[N@@H+]1CC[C@H](CNC(=O)NCC[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000417951433 446396712 /nfs/dbraw/zinc/39/67/12/446396712.db2.gz NEFZAKGDPQEMJE-BXUZGUMPSA-N 2 0 328.819 1.730 20 0 EDADRP COc1cc2c(cc1F)[nH+]ccc2N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000420267734 446440544 /nfs/dbraw/zinc/44/05/44/446440544.db2.gz WWJHBQLQLBMBRH-ZDUSSCGKSA-N 2 0 330.407 1.866 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000420268835 446442143 /nfs/dbraw/zinc/44/21/43/446442143.db2.gz HEGPLOIFJAUQCD-CGTJXYLNSA-N 2 0 332.492 1.607 20 0 EDADRP C[C@@H](NC(=O)NCCCN1CC[NH2+]CC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000418179649 446448447 /nfs/dbraw/zinc/44/84/47/446448447.db2.gz JQQCIHPJCMBGOX-AEFFLSMTSA-N 2 0 347.507 1.272 20 0 EDADRP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCC[NH3+])C2)c1 ZINC000420283388 446450143 /nfs/dbraw/zinc/45/01/43/446450143.db2.gz CCJRFSHAFHHMPH-JKSUJKDBSA-N 2 0 346.475 1.417 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418185395 446451257 /nfs/dbraw/zinc/45/12/57/446451257.db2.gz AWDUOXYWPUSUMV-ZBFHGGJFSA-N 2 0 349.479 1.209 20 0 EDADRP Cc1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n(C)n1 ZINC000417969894 446403554 /nfs/dbraw/zinc/40/35/54/446403554.db2.gz ZZGZOXRUVAHABJ-UHFFFAOYSA-N 2 0 335.496 1.445 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417978966 446405434 /nfs/dbraw/zinc/40/54/34/446405434.db2.gz GXDBXMMJEBDQHW-INIZCTEOSA-N 2 0 348.491 1.740 20 0 EDADRP C[N@H+](C[C@H](O)CN1CCCC1=O)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374834962 446412892 /nfs/dbraw/zinc/41/28/92/446412892.db2.gz BTYXUFJYESRGLG-SFHVURJKSA-N 2 0 346.475 1.213 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000418007767 446413347 /nfs/dbraw/zinc/41/33/47/446413347.db2.gz GOKUKAWGRNZHFH-KONPQCLYSA-N 2 0 330.476 1.899 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000418009950 446414447 /nfs/dbraw/zinc/41/44/47/446414447.db2.gz IWGOQGMFWNANAJ-NXHRZFHOSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017814 446417451 /nfs/dbraw/zinc/41/74/51/446417451.db2.gz UDTSIONBESNKNB-DDBAPUKQSA-N 2 0 328.460 1.510 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CCC[C@H]2[NH+]2CCOCC2)cc1 ZINC000370764714 446423608 /nfs/dbraw/zinc/42/36/08/446423608.db2.gz ZTFCEVJJUMLMBD-RTBURBONSA-N 2 0 345.487 1.979 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000370767701 446425265 /nfs/dbraw/zinc/42/52/65/446425265.db2.gz VQMKYEDYBDRNMC-MJGOQNOKSA-N 2 0 332.492 1.609 20 0 EDADRP COc1ccc(-c2noc(CN3CC[C@@H]([NH3+])[C@H](C)C3)n2)c(OC)c1 ZINC000420292749 446456649 /nfs/dbraw/zinc/45/66/49/446456649.db2.gz PXGIOTWSFOPIID-BXUZGUMPSA-N 2 0 332.404 1.923 20 0 EDADRP CCCNC(=O)C1([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCCCC1 ZINC000420301221 446464584 /nfs/dbraw/zinc/46/45/84/446464584.db2.gz LEYJJZAPYCOALV-ROUUACIJSA-N 2 0 347.503 1.736 20 0 EDADRP CC(C)C[C@H](C[NH3+])N[C@@H](C)Cn1cc(Br)ccc1=O ZINC000423271538 446469835 /nfs/dbraw/zinc/46/98/35/446469835.db2.gz XXSSFCZLLPJOST-WCQYABFASA-N 2 0 330.270 1.962 20 0 EDADRP CCOC(=O)CN(C(=O)CN1CC[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC000420311860 446476367 /nfs/dbraw/zinc/47/63/67/446476367.db2.gz IBUACZPCYTYWEU-CVEARBPZSA-N 2 0 345.443 1.124 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)CN1CC[C@]2(CC[NH2+]C2)C1)c1ccccc1 ZINC000420314385 446480115 /nfs/dbraw/zinc/48/01/15/446480115.db2.gz VSWFSJHRKWYEQF-HKUYNNGSSA-N 2 0 330.476 1.091 20 0 EDADRP COc1ccc(NC(=O)CC[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320331 446485980 /nfs/dbraw/zinc/48/59/80/446485980.db2.gz BIQQLLBNHILTQA-OAHLLOKOSA-N 2 0 347.459 1.711 20 0 EDADRP O=C(COC1CC[NH2+]CC1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000423323050 446487565 /nfs/dbraw/zinc/48/75/65/446487565.db2.gz JIUTZKGYJFUILX-UHFFFAOYSA-N 2 0 341.521 1.233 20 0 EDADRP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323105 446489548 /nfs/dbraw/zinc/48/95/48/446489548.db2.gz FRZYXNKYZYDXHY-JZXOWHBKSA-N 2 0 345.487 1.940 20 0 EDADRP C[C@@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000423329012 446489969 /nfs/dbraw/zinc/48/99/69/446489969.db2.gz MOXZKQBPKJSGGD-OWCLPIDISA-N 2 0 347.507 1.737 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000367061532 446496047 /nfs/dbraw/zinc/49/60/47/446496047.db2.gz HAWSEODCTOISTB-MRXNPFEDSA-N 2 0 345.553 1.854 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCCC2)CC12CCOCC2 ZINC000420327212 446496139 /nfs/dbraw/zinc/49/61/39/446496139.db2.gz LASLEOJCCAKIBL-OAHLLOKOSA-N 2 0 335.492 1.607 20 0 EDADRP Cn1cc(C(=O)N2CC[NH+](CC3CC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000423340172 446496485 /nfs/dbraw/zinc/49/64/85/446496485.db2.gz XETNOGMAHCKDAN-HNNXBMFYSA-N 2 0 331.464 1.055 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418330248 446501817 /nfs/dbraw/zinc/50/18/17/446501817.db2.gz QDQOBEUHPVXCCV-QGZVFWFLSA-N 2 0 333.480 1.687 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418341463 446507375 /nfs/dbraw/zinc/50/73/75/446507375.db2.gz OVEDQEZYHPDMHN-SJORKVTESA-N 3 0 339.528 1.044 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000423377368 446509293 /nfs/dbraw/zinc/50/92/93/446509293.db2.gz BOGBBYRHFQMLMU-AJNGGQMLSA-N 3 0 334.430 1.285 20 0 EDADRP COc1ccc(NC(=O)C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000420340664 446511984 /nfs/dbraw/zinc/51/19/84/446511984.db2.gz NCWLDGKXUBSEIV-CABCVRRESA-N 2 0 347.459 1.964 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343872 446514557 /nfs/dbraw/zinc/51/45/57/446514557.db2.gz RQCKBHQNDOVLKA-BMFZPTHFSA-N 2 0 344.459 1.434 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423357569 446497892 /nfs/dbraw/zinc/49/78/92/446497892.db2.gz IKQYGIYIZJDMDY-QLFBSQMISA-N 2 0 333.480 1.727 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331467 446500293 /nfs/dbraw/zinc/50/02/93/446500293.db2.gz CAASRIGPOWKYLP-KBPBESRZSA-N 2 0 331.416 1.675 20 0 EDADRP CCC[NH2+]CCNC(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000418481697 446560205 /nfs/dbraw/zinc/56/02/05/446560205.db2.gz UTLQBLONURVNDT-UHFFFAOYSA-N 2 0 333.480 1.939 20 0 EDADRP CC(C)C[C@H](C)N(C)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420386370 446561018 /nfs/dbraw/zinc/56/10/18/446561018.db2.gz IGDDQTQWZSDRJC-BBWFWOEESA-N 2 0 337.508 1.580 20 0 EDADRP C[C@@H](C1CC1)N(C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)C1CC1 ZINC000420385460 446561181 /nfs/dbraw/zinc/56/11/81/446561181.db2.gz GWVCQRHCAMUELC-QGTPRVQTSA-N 2 0 347.503 1.476 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1)C1CC1 ZINC000418495841 446564905 /nfs/dbraw/zinc/56/49/05/446564905.db2.gz GQFLAHXVUANMDA-KRWDZBQOSA-N 2 0 338.496 1.258 20 0 EDADRP Fc1ccc(OCC[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(Cl)c1 ZINC000420345281 446517810 /nfs/dbraw/zinc/51/78/10/446517810.db2.gz AJVDXPVQRRQVHP-AWEZNQCLSA-N 2 0 327.831 1.837 20 0 EDADRP [NH3+]C1CCC(NC(=O)NC[C@H]2C[C@H](O)C[N@@H+]2Cc2ccccc2)CC1 ZINC000418389346 446524509 /nfs/dbraw/zinc/52/45/09/446524509.db2.gz RNXPNRUOFDAAAG-HIEASXQVSA-N 2 0 346.475 1.191 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423416199 446524837 /nfs/dbraw/zinc/52/48/37/446524837.db2.gz QDZISIIJGFYGOQ-CRAIPNDOSA-N 2 0 340.512 1.010 20 0 EDADRP Fc1ccc(-c2cc(C[N@@H+]3CC[C@H](N4CC[NH2+]CC4)C3)on2)cc1 ZINC000420348727 446525958 /nfs/dbraw/zinc/52/59/58/446525958.db2.gz MWCMIOCLVMWAPC-INIZCTEOSA-N 2 0 330.407 1.960 20 0 EDADRP COC(=O)c1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)cs1 ZINC000411409969 446526828 /nfs/dbraw/zinc/52/68/28/446526828.db2.gz AECMUELZOHELMM-UHFFFAOYSA-N 2 0 325.478 1.604 20 0 EDADRP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)n1 ZINC000420350062 446527426 /nfs/dbraw/zinc/52/74/26/446527426.db2.gz RGNRRAHWFHHKDJ-HXUWFJFHSA-N 2 0 339.487 1.969 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418400619 446529854 /nfs/dbraw/zinc/52/98/54/446529854.db2.gz YCEUYMSTIZBHEV-JYJNAYRXSA-N 2 0 340.512 1.373 20 0 EDADRP C[C@H](Cc1cnccn1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000453068509 446541340 /nfs/dbraw/zinc/54/13/40/446541340.db2.gz MUMGVFJPUILXIP-QGZVFWFLSA-N 2 0 339.487 1.945 20 0 EDADRP CN(C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1Cl)[C@@H]1CCCO1 ZINC000453095037 446543508 /nfs/dbraw/zinc/54/35/08/446543508.db2.gz GWDYBSFOZRROIB-PVAVHDDUSA-N 2 0 326.868 1.942 20 0 EDADRP CC(C)(C)[C@H](C[NH3+])NCC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000420363834 446544196 /nfs/dbraw/zinc/54/41/96/446544196.db2.gz OFIZMKWNNIZBSU-SFHVURJKSA-N 2 0 346.519 1.862 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000420364139 446544246 /nfs/dbraw/zinc/54/42/46/446544246.db2.gz IHYJZZFICCZVKT-MDZRGWNJSA-N 2 0 344.503 1.435 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000418450088 446547135 /nfs/dbraw/zinc/54/71/35/446547135.db2.gz UMNPPOCSQBTQIH-LSDHHAIUSA-N 2 0 326.485 1.255 20 0 EDADRP CCOC(=O)c1ccc(N2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)nc1 ZINC000420369719 446547815 /nfs/dbraw/zinc/54/78/15/446547815.db2.gz YDOQUDAFGDOBKD-MRXNPFEDSA-N 2 0 346.475 1.770 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCC1(O)CCOCC1 ZINC000367695454 446576169 /nfs/dbraw/zinc/57/61/69/446576169.db2.gz AMJURRKIGOPRRB-ZACQAIPSSA-N 2 0 326.481 1.397 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)N[C@@H](C)CC[NH3+] ZINC000418515572 446576233 /nfs/dbraw/zinc/57/62/33/446576233.db2.gz BQHLSLIWJJIZEX-RDJZCZTQSA-N 2 0 333.480 1.815 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NC[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418541397 446586537 /nfs/dbraw/zinc/58/65/37/446586537.db2.gz QIHTYCWRMBMYKQ-VDZJLULYSA-N 2 0 346.475 1.063 20 0 EDADRP C[C@@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420414074 446587885 /nfs/dbraw/zinc/58/78/85/446587885.db2.gz UHJKFRPLGJMNHJ-KGLIPLIRSA-N 2 0 326.462 1.386 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)CC1 ZINC000418563410 446594808 /nfs/dbraw/zinc/59/48/08/446594808.db2.gz VCYPYMXYXMMJNU-RDJZCZTQSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)(C[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000418569042 446597511 /nfs/dbraw/zinc/59/75/11/446597511.db2.gz PDPBKWQPMLACDL-RISCZKNCSA-N 2 0 326.391 1.447 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000418654348 446635698 /nfs/dbraw/zinc/63/56/98/446635698.db2.gz PQDGOZYRSAFQDG-IIDMSEBBSA-N 2 0 348.491 1.345 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418668543 446641434 /nfs/dbraw/zinc/64/14/34/446641434.db2.gz IIDAYZQDRVLXGY-YRXWBPOGSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418675234 446644509 /nfs/dbraw/zinc/64/45/09/446644509.db2.gz RCVVTIOIMYOIEE-KVDVXYDOSA-N 2 0 328.460 1.509 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000418684749 446646712 /nfs/dbraw/zinc/64/67/12/446646712.db2.gz HKHRTPDVRDGAEN-ZACQAIPSSA-N 2 0 339.528 1.314 20 0 EDADRP C[C@@H](CCCC[NH3+])NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000418683719 446647521 /nfs/dbraw/zinc/64/75/21/446647521.db2.gz APXIIMBVFUBGLD-INIZCTEOSA-N 2 0 340.512 1.648 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000423650547 446625205 /nfs/dbraw/zinc/62/52/05/446625205.db2.gz LELNPXJBEFZARJ-QGZVFWFLSA-N 2 0 345.443 1.751 20 0 EDADRP O=C(NC[C@H]1CCCC[N@H+]1CCO)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418646187 446630176 /nfs/dbraw/zinc/63/01/76/446630176.db2.gz WSACQPKLJIMQAF-SJLPKXTDSA-N 2 0 346.475 1.019 20 0 EDADRP CCCn1ccnc1CCCN(C)[C@@H](C)c1nc(N)nc(N(C)C)n1 ZINC000411636194 446631105 /nfs/dbraw/zinc/63/11/05/446631105.db2.gz XGUXTMDDQVEMJR-ZDUSSCGKSA-N 2 0 346.483 1.752 20 0 EDADRP COCC(COC)[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000411838778 446692849 /nfs/dbraw/zinc/69/28/49/446692849.db2.gz BMDDKRSJERDSSK-UHFFFAOYSA-N 2 0 335.492 1.397 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]3[NH2+]CCCC3(C)C)CC2)CC1 ZINC000423770087 446696579 /nfs/dbraw/zinc/69/65/79/446696579.db2.gz ZFYSXODXDJDSKV-KRWDZBQOSA-N 2 0 336.524 1.251 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000423830436 446719311 /nfs/dbraw/zinc/71/93/11/446719311.db2.gz ASMMXPDKNXQVLI-GDBMZVCRSA-N 2 0 341.459 1.737 20 0 EDADRP CC[C@H]1CN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423831045 446719564 /nfs/dbraw/zinc/71/95/64/446719564.db2.gz VWIFJTXVHBUHEX-SFHVURJKSA-N 2 0 345.487 1.878 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3C[NH2+]CCO3)CC[N@@H+]2C2CC2)c1 ZINC000423833628 446720539 /nfs/dbraw/zinc/72/05/39/446720539.db2.gz TXWIBUVWWIHMOZ-BZSNNMDCSA-N 2 0 345.443 1.078 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H](C[NH3+])OC)CC[N@@H+]2C2CC2)c1 ZINC000423837871 446727229 /nfs/dbraw/zinc/72/72/29/446727229.db2.gz XHFUETUUOYDSKW-GVDBMIGSSA-N 2 0 333.432 1.063 20 0 EDADRP C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423860743 446733905 /nfs/dbraw/zinc/73/39/05/446733905.db2.gz AVBUZDGRZRWVRR-QXAKKESOSA-N 2 0 345.487 1.782 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758972 446679090 /nfs/dbraw/zinc/67/90/90/446679090.db2.gz KAJIKGBQDWDEOW-VHDGCEQUSA-N 2 0 342.434 1.642 20 0 EDADRP COC(=O)CCCN1CCC([NH2+][C@@H]2CCN(c3ccn(C)n3)C2)CC1 ZINC000368274728 446752345 /nfs/dbraw/zinc/75/23/45/446752345.db2.gz UQHHAQSAANPAKW-MRXNPFEDSA-N 2 0 349.479 1.006 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]C2CCC([NH3+])CC2)CC1 ZINC000437804162 446762153 /nfs/dbraw/zinc/76/21/53/446762153.db2.gz VAGVWCKOVCOHLQ-UHFFFAOYSA-N 2 0 330.476 1.715 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000418869897 446762353 /nfs/dbraw/zinc/76/23/53/446762353.db2.gz XTVDJMBSWKHUFJ-QGZVFWFLSA-N 2 0 346.475 1.056 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000418869869 446762450 /nfs/dbraw/zinc/76/24/50/446762450.db2.gz XSWZTKYFBWXNHK-DLBZAZTESA-N 2 0 346.475 1.135 20 0 EDADRP CC[C@H]1[NH2+]CC[C@@H]1C(=O)N(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423931034 446781537 /nfs/dbraw/zinc/78/15/37/446781537.db2.gz LXVRQFFUFGLWLR-LISAXSMJSA-N 2 0 347.507 1.650 20 0 EDADRP CC(C)[C@H]1[NH2+]CC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423932212 446783856 /nfs/dbraw/zinc/78/38/56/446783856.db2.gz NQVZGWQCNKSCOJ-BURFUSLBSA-N 2 0 347.507 1.553 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H](CCC[NH3+])c2ccccc2)CC1 ZINC000423959486 446798064 /nfs/dbraw/zinc/79/80/64/446798064.db2.gz CJOIJYMHIVUPGE-SFHVURJKSA-N 2 0 332.492 1.610 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000368258418 446743654 /nfs/dbraw/zinc/74/36/54/446743654.db2.gz GWUOKKWBFVRFEM-QGZVFWFLSA-N 2 0 344.503 1.647 20 0 EDADRP O=C(NC[C@@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000423991731 446811451 /nfs/dbraw/zinc/81/14/51/446811451.db2.gz MXRKTTBEUQPPKP-RDJZCZTQSA-N 2 0 335.423 1.142 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000423991729 446811710 /nfs/dbraw/zinc/81/17/10/446811710.db2.gz MXRKTTBEUQPPKP-DOTOQJQBSA-N 2 0 335.423 1.142 20 0 EDADRP CCC(CC)(CNC(=O)C(=O)N[C@@H](C)C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000418972203 446836928 /nfs/dbraw/zinc/83/69/28/446836928.db2.gz YLNIRFSFALCGCN-LSDHHAIUSA-N 2 0 348.491 1.476 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)[N@@H+]1CCCC[C@H]1C ZINC000424127003 446857846 /nfs/dbraw/zinc/85/78/46/446857846.db2.gz CMFYYTATHRTTKF-QLFBSQMISA-N 2 0 334.468 1.195 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)C(=O)C2)[C@H](C)C1 ZINC000424333757 446866624 /nfs/dbraw/zinc/86/66/24/446866624.db2.gz WGHNDUCKJUNISI-ZACQAIPSSA-N 2 0 325.497 1.581 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000419104868 446926517 /nfs/dbraw/zinc/92/65/17/446926517.db2.gz NCQNLMSZPDHSPD-KRWDZBQOSA-N 2 0 346.475 1.136 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@@](F)(CO)C1 ZINC000368536046 446929056 /nfs/dbraw/zinc/92/90/56/446929056.db2.gz CRONVRWENRRFMT-SUMDDJOVSA-N 2 0 349.450 1.172 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000371556785 446931235 /nfs/dbraw/zinc/93/12/35/446931235.db2.gz FJIJVWGSCPOPNU-IAGOWNOFSA-N 2 0 340.512 1.661 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OC ZINC000442777317 446965209 /nfs/dbraw/zinc/96/52/09/446965209.db2.gz IWKGVEAOHYRRCU-IJEWVQPXSA-N 2 0 349.475 1.720 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1 ZINC000372115091 447009560 /nfs/dbraw/zinc/00/95/60/447009560.db2.gz DCLMTERRRJKZKH-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000419220689 447017047 /nfs/dbraw/zinc/01/70/47/447017047.db2.gz VIRASJWNGZLHKE-QGZVFWFLSA-N 2 0 346.475 1.093 20 0 EDADRP COc1cc2[nH+]ccc(NCC3CC[NH+](CCO)CC3)c2cc1OC ZINC000413125661 447019067 /nfs/dbraw/zinc/01/90/67/447019067.db2.gz GFTLDGUDJOSBOY-UHFFFAOYSA-N 2 0 345.443 1.790 20 0 EDADRP CN(C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000454868053 446990344 /nfs/dbraw/zinc/99/03/44/446990344.db2.gz DOIGGVQAJOJMPU-OWCLPIDISA-N 2 0 338.496 1.221 20 0 EDADRP [NH3+]CC[C@H]1CCC[N@H+](CC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000443063129 447001729 /nfs/dbraw/zinc/00/17/29/447001729.db2.gz VZQGPUDWAZNRGD-MRXNPFEDSA-N 2 0 348.466 1.535 20 0 EDADRP [NH3+]C1(C(=O)NCCN2CCc3sccc3C2)Cc2ccccc2C1 ZINC000372104211 447003417 /nfs/dbraw/zinc/00/34/17/447003417.db2.gz ZTELRFHANURCRH-UHFFFAOYSA-N 2 0 341.480 1.719 20 0 EDADRP CCOC(=O)CCCC[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375908009 447138182 /nfs/dbraw/zinc/13/81/82/447138182.db2.gz UOERXOOSOWJVQB-KRWDZBQOSA-N 2 0 325.497 1.820 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000375908129 447139703 /nfs/dbraw/zinc/13/97/03/447139703.db2.gz VFXLCWPSOOAPIU-PMACEKPBSA-N 2 0 331.504 1.994 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NCC[NH+]1CCCC(C)(C)C1 ZINC000445145490 447174697 /nfs/dbraw/zinc/17/46/97/447174697.db2.gz UULBGCXPVPWFTB-UHFFFAOYSA-N 2 0 328.501 1.376 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCCOC(C)(C)C1)c1ccccc1 ZINC000368924165 447205785 /nfs/dbraw/zinc/20/57/85/447205785.db2.gz IAYVRDJAHGGBGB-QGZVFWFLSA-N 2 0 333.476 1.906 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419478377 447210441 /nfs/dbraw/zinc/21/04/41/447210441.db2.gz JJRLPJZKHCUVEY-CVEARBPZSA-N 2 0 340.512 1.247 20 0 EDADRP C[C@H](NC(=O)C(=O)N[C@H](C[NH3+])C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000419535864 447247630 /nfs/dbraw/zinc/24/76/30/447247630.db2.gz AFGXCZICGXBTLJ-DZGCQCFKSA-N 2 0 340.512 1.103 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@@H]2[C@@]1([NH3+])C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000446376970 447250854 /nfs/dbraw/zinc/25/08/54/447250854.db2.gz OECUADYPZVAOBU-JCKWVBRZSA-N 2 0 341.415 1.738 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC[NH2+]1 ZINC000419486434 447216245 /nfs/dbraw/zinc/21/62/45/447216245.db2.gz XRRCZCFHPHTCDY-OAGGEKHMSA-N 2 0 338.496 1.014 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000376053490 447238155 /nfs/dbraw/zinc/23/81/55/447238155.db2.gz FHVJJYKIQJWWMM-OAHLLOKOSA-N 2 0 329.510 1.407 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000369001775 447256654 /nfs/dbraw/zinc/25/66/54/447256654.db2.gz QSECHQHHTCSQOE-QGZVFWFLSA-N 2 0 349.519 1.822 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000494711243 447455076 /nfs/dbraw/zinc/45/50/76/447455076.db2.gz NWQCGJNJSIHIED-KGLIPLIRSA-N 2 0 327.469 1.479 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C2CC2)C1)CCC(F)(F)F ZINC000494954075 447468149 /nfs/dbraw/zinc/46/81/49/447468149.db2.gz AGPGSLBNWRAZSM-GFCCVEGCSA-N 2 0 336.402 1.797 20 0 EDADRP CCC[C@@H]1CN(C(=O)C2CC[NH+](C3CC3)CC2)CC[N@@H+]1CCOC ZINC000426942341 447519383 /nfs/dbraw/zinc/51/93/83/447519383.db2.gz KFUQYLQOIDVDPE-GOSISDBHSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)C2C[NH+](C3CCCCC3)C2)C[C@H](C)O1 ZINC000457412306 447574775 /nfs/dbraw/zinc/57/47/75/447574775.db2.gz XYIOGILJBYKEMX-IYBDPMFKSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000457424276 447577491 /nfs/dbraw/zinc/57/74/91/447577491.db2.gz QFNSIRDZZIQRNL-MSOLQXFVSA-N 2 0 348.491 1.435 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2CCCO)cc1 ZINC000457516573 447585662 /nfs/dbraw/zinc/58/56/62/447585662.db2.gz FHTZGXFXOSSWPP-SFHVURJKSA-N 2 0 348.491 1.394 20 0 EDADRP C[C@@H](C[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)S(C)(=O)=O ZINC000450635391 447545025 /nfs/dbraw/zinc/54/50/25/447545025.db2.gz BJWWMWZWDSWSOL-AWEZNQCLSA-N 2 0 325.478 1.663 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)COC1(C)C[NH2+]C1 ZINC000398192201 447556847 /nfs/dbraw/zinc/55/68/47/447556847.db2.gz ZULCNDDGHVFCLA-RDJZCZTQSA-N 2 0 331.460 1.392 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000457811760 447637560 /nfs/dbraw/zinc/63/75/60/447637560.db2.gz OBFUFPANSHNNDU-HOTGVXAUSA-N 2 0 328.501 1.109 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000457822297 447640579 /nfs/dbraw/zinc/64/05/79/447640579.db2.gz WIRFVEHIUYHQRL-QGZVFWFLSA-N 2 0 326.485 1.082 20 0 EDADRP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1COCCO1 ZINC000450979519 447640844 /nfs/dbraw/zinc/64/08/44/447640844.db2.gz JHDGFMZSOLYCSL-LJQANCHMSA-N 2 0 333.476 1.151 20 0 EDADRP CC[C@H]1C[N@H+](CC)CCN1C(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000457562814 447598182 /nfs/dbraw/zinc/59/81/82/447598182.db2.gz AVONZPBELUBVOQ-BBWFWOEESA-N 2 0 340.512 1.611 20 0 EDADRP C[N@H+](CCCCNC(=O)NC[C@H]1CCCC[NH+]1CCO)C1CC1 ZINC000459156347 447598164 /nfs/dbraw/zinc/59/81/64/447598164.db2.gz LPBJJOGETIXMDZ-MRXNPFEDSA-N 2 0 326.485 1.007 20 0 EDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)[C@H]1C[C@@H]2CC[C@H]1C2 ZINC000416464985 447611066 /nfs/dbraw/zinc/61/10/66/447611066.db2.gz JTAYZKMGLYBPQD-VYDXJSESSA-N 2 0 343.537 1.463 20 0 EDADRP CC(C)[N@@H+]1CCCN(C(=O)C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000420117117 447612589 /nfs/dbraw/zinc/61/25/89/447612589.db2.gz HOHMRYXQWMZLPN-OAHLLOKOSA-N 2 0 346.475 1.265 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)C(=O)NCc2ccc([C@H](C)[NH3+])cc2)C1 ZINC000420124174 447617441 /nfs/dbraw/zinc/61/74/41/447617441.db2.gz LWYNXBMZDRZBBA-KEYYUXOJSA-N 2 0 346.475 1.167 20 0 EDADRP C[N@H+](CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1)Cc1ccccc1 ZINC000416867929 447699216 /nfs/dbraw/zinc/69/92/16/447699216.db2.gz DKKJMVNDYCUQBK-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N(C)[C@H](C)C[NH3+])[NH+](C)C)cc1OC ZINC000416808169 447689150 /nfs/dbraw/zinc/68/91/50/447689150.db2.gz HTYJTBCQGSBMRO-TZMCWYRMSA-N 2 0 338.452 1.295 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H](C)[C@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000416815865 447691099 /nfs/dbraw/zinc/69/10/99/447691099.db2.gz OKZVCDKUMULNSQ-SCRDCRAPSA-N 2 0 338.452 1.341 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000416923261 447711427 /nfs/dbraw/zinc/71/14/27/447711427.db2.gz NTZZQCDNNSAZKF-NVXWUHKLSA-N 2 0 334.464 1.739 20 0 EDADRP CC(C)[C@H](CNC(=O)NCCC[C@H]1CCC[NH2+]1)[NH+]1CCN(C)CC1 ZINC000416947484 447721948 /nfs/dbraw/zinc/72/19/48/447721948.db2.gz GWAHVWRQGMZIOH-SJORKVTESA-N 2 0 339.528 1.090 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422708701 447722878 /nfs/dbraw/zinc/72/28/78/447722878.db2.gz CGWLIDFSTOOSQF-ROUUACIJSA-N 3 0 346.523 1.499 20 0 EDADRP C[NH2+]CCCNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000417014999 447729543 /nfs/dbraw/zinc/72/95/43/447729543.db2.gz GCRNBWWSOVYDNX-SFHVURJKSA-N 2 0 347.507 1.274 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]CCNC(=O)c1ccc(Br)cc1 ZINC000422727049 447730539 /nfs/dbraw/zinc/73/05/39/447730539.db2.gz BJLWVSGIZFLBBE-QWRGUYRKSA-N 2 0 328.254 1.894 20 0 EDADRP COc1ccc([C@@H](C[NH2+]C2CC[NH2+]CC2)N2CCOCC2)cc1OC ZINC000422766150 447744045 /nfs/dbraw/zinc/74/40/45/447744045.db2.gz LLTRBTBUBFEEJO-QGZVFWFLSA-N 2 0 349.475 1.419 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422795041 447752084 /nfs/dbraw/zinc/75/20/84/447752084.db2.gz ZMEWPMZGITVNMB-MSOLQXFVSA-N 2 0 331.460 1.666 20 0 EDADRP C[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)N1CCOCC1 ZINC000422804001 447755402 /nfs/dbraw/zinc/75/54/02/447755402.db2.gz GSWXRNQEAMUJSC-HHXXYDBFSA-N 2 0 331.460 1.553 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+]CC2(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000496325914 447756294 /nfs/dbraw/zinc/75/62/94/447756294.db2.gz KWJWEEAXVKDGDD-UHFFFAOYSA-N 2 0 327.469 1.338 20 0 EDADRP CCC(CC)[C@H](C[NH2+][C@@H]1CCOC[C@H]1[C@@H](C)[NH3+])N1CCOCC1 ZINC000422818371 447758477 /nfs/dbraw/zinc/75/84/77/447758477.db2.gz KCUIYLUSAIJOSH-SPUZQDLCSA-N 2 0 327.513 1.465 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cc1 ZINC000422818071 447758622 /nfs/dbraw/zinc/75/86/22/447758622.db2.gz FLIFKRXTNICVDN-CABCVRRESA-N 2 0 339.505 1.864 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCN1C(=O)CNC1=O ZINC000471856564 447815714 /nfs/dbraw/zinc/81/57/14/447815714.db2.gz LRKDTTPAUGQLAZ-IAGOWNOFSA-N 2 0 344.459 1.210 20 0 EDADRP CCCNC(=O)CN1CCC([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)CC1 ZINC000422841755 447767008 /nfs/dbraw/zinc/76/70/08/447767008.db2.gz DKCGKJXNJGJPFJ-AEFFLSMTSA-N 2 0 338.540 1.877 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H](N[C@H](C)[C@@H]3CC[NH2+]C3)C2=O)c1 ZINC000422916933 447772497 /nfs/dbraw/zinc/77/24/97/447772497.db2.gz BYIHODFTFISSDL-XNJGSVPQSA-N 2 0 333.432 1.397 20 0 EDADRP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NCc2ccccc2)CC1 ZINC000430542889 447775229 /nfs/dbraw/zinc/77/52/29/447775229.db2.gz LEHGXJUKBKSBDR-HNNXBMFYSA-N 2 0 346.475 1.722 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CCC(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000430555138 447777808 /nfs/dbraw/zinc/77/78/08/447777808.db2.gz RWDRIBGZVYCZGX-UHFFFAOYSA-N 2 0 349.431 1.574 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)ccc1OCC(=O)N(C)C ZINC000422943669 447777926 /nfs/dbraw/zinc/77/79/26/447777926.db2.gz QXYCOMFIBILSKS-HNNXBMFYSA-N 2 0 335.448 1.394 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000488177524 447842777 /nfs/dbraw/zinc/84/27/77/447842777.db2.gz MWZFSTQNYRATKY-LJQANCHMSA-N 2 0 330.476 1.985 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)C1=CC[N@H+](C)CC1 ZINC000497108797 447860951 /nfs/dbraw/zinc/86/09/51/447860951.db2.gz QEJHTYGNSUDTGO-HIFRSBDPSA-N 2 0 327.469 1.454 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cnc(N2CCCC2)nc1 ZINC000569855564 447908115 /nfs/dbraw/zinc/90/81/15/447908115.db2.gz AACXQBJIQJQBHF-UHFFFAOYSA-N 2 0 332.496 1.146 20 0 EDADRP Cn1ccnc1[C@H]1[C@H](C[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC(=O)N1C ZINC000552318118 447944231 /nfs/dbraw/zinc/94/42/31/447944231.db2.gz QJWVPMCOUVFVHQ-IQWQSGHPSA-N 2 0 345.491 1.402 20 0 EDADRP C[C@H](CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)NC(=O)c1ccccc1 ZINC000530641510 447932010 /nfs/dbraw/zinc/93/20/10/447932010.db2.gz ODPXSQQRZYSJJS-MRXNPFEDSA-N 2 0 348.491 1.147 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)N2CCN(Cc3ccccn3)CC2)C1 ZINC000570295778 447982401 /nfs/dbraw/zinc/98/24/01/447982401.db2.gz PGSQBCCRYPPXEH-KRWDZBQOSA-N 2 0 345.491 1.641 20 0 EDADRP CC1CC[NH+](CCNC(=O)[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000525690541 448012702 /nfs/dbraw/zinc/01/27/02/448012702.db2.gz SPHOGSBPVLQIKW-HXUWFJFHSA-N 2 0 345.487 1.472 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](N3CCCC3=O)C2)CC1 ZINC000554545211 448032503 /nfs/dbraw/zinc/03/25/03/448032503.db2.gz UXMBQSJAMRYALB-SFHVURJKSA-N 2 0 336.524 1.489 20 0 EDADRP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(N2CCCS2(=O)=O)c1 ZINC000576388835 448043006 /nfs/dbraw/zinc/04/30/06/448043006.db2.gz QDBNMMHUWBKBTH-GRDNDAEWSA-N 2 0 337.489 1.875 20 0 EDADRP C[C@H](C[NH3+])C[NH2+][C@@H](C)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497289959 448043741 /nfs/dbraw/zinc/04/37/41/448043741.db2.gz QSOACUMONCCAJG-VYDXJSESSA-N 2 0 335.448 1.597 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000576409730 448048442 /nfs/dbraw/zinc/04/84/42/448048442.db2.gz AMAJQRYFAPCTME-DLBZAZTESA-N 2 0 336.524 1.203 20 0 EDADRP CCc1nc(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)s1 ZINC000525889942 448050067 /nfs/dbraw/zinc/05/00/67/448050067.db2.gz LOVAMGQURKQQAH-UHFFFAOYSA-N 2 0 327.498 1.971 20 0 EDADRP CO[C@H]1C[C@@H](CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)[N@H+](C)C1 ZINC000503766422 448107430 /nfs/dbraw/zinc/10/74/30/448107430.db2.gz WNNXLTPUZQOTML-ULQDDVLXSA-N 2 0 325.497 1.674 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000570794831 448065309 /nfs/dbraw/zinc/06/53/09/448065309.db2.gz HYMYHYATDIHPOQ-KSZLIROESA-N 2 0 328.497 1.520 20 0 EDADRP C[C@H]([NH2+]C[C@H](O)CN1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@H]1C ZINC000577026131 448195044 /nfs/dbraw/zinc/19/50/44/448195044.db2.gz JCHJVORRMFWLHP-DRMAHVMPSA-N 2 0 333.476 1.138 20 0 EDADRP Cc1nc(NCC2CC[NH+](C)CC2)cc(NCC2CC[NH+](C)CC2)[nH+]1 ZINC000577063757 448203471 /nfs/dbraw/zinc/20/34/71/448203471.db2.gz FPZQKQQQTKOZRN-UHFFFAOYSA-N 3 0 346.523 2.292 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000571777535 448205484 /nfs/dbraw/zinc/20/54/84/448205484.db2.gz VTCWLDZVYKZPNB-KBAYOESNSA-N 2 0 346.475 1.327 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CNCC[C@@H]2C)s1 ZINC000514596239 448167660 /nfs/dbraw/zinc/16/76/60/448167660.db2.gz NRDRBKJLEZHWEM-WHOHXGKFSA-N 2 0 325.482 1.651 20 0 EDADRP CN1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000514924346 448224788 /nfs/dbraw/zinc/22/47/88/448224788.db2.gz CDKDTULCESCUOI-DFBGVHRSSA-N 2 0 340.830 1.967 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCC(C(N)=O)CC3)c2)C1 ZINC000591096710 448261130 /nfs/dbraw/zinc/26/11/30/448261130.db2.gz BICCTVVKJNKCSR-INIZCTEOSA-N 2 0 344.459 1.274 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC[N@@H+]1C ZINC000532494170 448265110 /nfs/dbraw/zinc/26/51/10/448265110.db2.gz VQHRBKYQSCYKNI-MRAWALMUSA-N 2 0 330.432 1.314 20 0 EDADRP C[NH+]1CCN(CCOCCN2CC[N@@H+](C)C(C)(C)C2)CC1(C)C ZINC000572131780 448298715 /nfs/dbraw/zinc/29/87/15/448298715.db2.gz NMPRYRKQQCVHOU-UHFFFAOYSA-N 2 0 326.529 1.055 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCCC[NH+]1CCN(C)CC1 ZINC000577551239 448325497 /nfs/dbraw/zinc/32/54/97/448325497.db2.gz IJGUKPHOUDCVTC-INIZCTEOSA-N 2 0 327.517 1.042 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000591436002 448362539 /nfs/dbraw/zinc/36/25/39/448362539.db2.gz XEOQRSRMKOLYLE-GOSISDBHSA-N 2 0 344.503 1.657 20 0 EDADRP C[N@H+](CCN1CCC(CO)([NH2+]CC2CC2)CC1)Cc1ccccc1 ZINC000577854352 448403471 /nfs/dbraw/zinc/40/34/71/448403471.db2.gz KFOYIHHXCDBGTH-UHFFFAOYSA-N 2 0 331.504 1.945 20 0 EDADRP CC(C)O[C@@]1(C)C[C@H]1[NH2+]C1CCN(CCN2CCOCC2)CC1 ZINC000528000470 448407211 /nfs/dbraw/zinc/40/72/11/448407211.db2.gz SBUALYXJWMSJID-MSOLQXFVSA-N 2 0 325.497 1.329 20 0 EDADRP [NH3+]CCCCC(=O)NCc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000516286341 448408702 /nfs/dbraw/zinc/40/87/02/448408702.db2.gz LQPFWLBYUHPUAM-UHFFFAOYSA-N 2 0 346.475 1.257 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)C1 ZINC000582902792 448374756 /nfs/dbraw/zinc/37/47/56/448374756.db2.gz LZBGNOHADFEEMC-HUUCEWRRSA-N 2 0 348.495 1.270 20 0 EDADRP Cc1nc(N2CCOCC2)ccc1NC(=O)NCCC1=CC[NH2+]CC1 ZINC000578047156 448449072 /nfs/dbraw/zinc/44/90/72/448449072.db2.gz BBIPNQAKUYIYSV-UHFFFAOYSA-N 2 0 345.447 1.658 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1C1CCOCC1)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000578068195 448453333 /nfs/dbraw/zinc/45/33/33/448453333.db2.gz SGOGTSUQPGXWHT-RYRKJORJSA-N 2 0 335.492 1.478 20 0 EDADRP CCCOc1c(CN2CCN3C(=O)[C@@H]([NH3+])C[C@H]3C2)cccc1OCC ZINC000578083897 448458673 /nfs/dbraw/zinc/45/86/73/448458673.db2.gz ISLRWFJTVVPKTR-HOTGVXAUSA-N 2 0 347.459 1.618 20 0 EDADRP COC(=O)c1ccc(OC[C@@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000591727504 448473557 /nfs/dbraw/zinc/47/35/57/448473557.db2.gz DRIMXWPZJKWUSB-YOEHRIQHSA-N 2 0 348.443 1.287 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000578167072 448476410 /nfs/dbraw/zinc/47/64/10/448476410.db2.gz ZIUVYLQAWHPAEU-INIZCTEOSA-N 2 0 331.464 1.606 20 0 EDADRP c1nc(NCC[C@H]2CCC[NH2+]C2)cc(NCC[C@H]2CCC[NH2+]C2)n1 ZINC000584303043 448479668 /nfs/dbraw/zinc/47/96/68/448479668.db2.gz WAZCSGFYXRCTKV-HZPDHXFCSA-N 2 0 332.496 2.080 20 0 EDADRP NC(=O)NC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000591759456 448483536 /nfs/dbraw/zinc/48/35/36/448483536.db2.gz RFRCYZRKNCKKDG-BRWVUGGUSA-N 2 0 344.459 1.462 20 0 EDADRP COc1cc(CN(CC[NH+](C)C)CC[NH+](C)C)cc(OC)c1O ZINC000516894975 448489774 /nfs/dbraw/zinc/48/97/74/448489774.db2.gz ZXYXPJXKVVAQDC-UHFFFAOYSA-N 2 0 325.453 1.335 20 0 EDADRP C[NH+]1CCN(c2cccc(C(=O)N3CC[C@@H]([NH+]4CCCC4)C3)n2)CC1 ZINC000535761002 448503782 /nfs/dbraw/zinc/50/37/82/448503782.db2.gz PMAYROPKEHOFAB-MRXNPFEDSA-N 2 0 343.475 1.144 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC([NH2+]CCOC)CC2)C1 ZINC000566567731 448510210 /nfs/dbraw/zinc/51/02/10/448510210.db2.gz VNVUIAMOWWOUAT-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)ccn1 ZINC000578341875 448523981 /nfs/dbraw/zinc/52/39/81/448523981.db2.gz VXYKEFRWUNNVML-UHFFFAOYSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](C[C@H](O)CC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000528367410 448500286 /nfs/dbraw/zinc/50/02/86/448500286.db2.gz IUWNXGNPGGFVGD-SOLBZPMBSA-N 2 0 340.508 1.474 20 0 EDADRP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-n3cncn3)cc2)CC12CCOCC2 ZINC000566679573 448536708 /nfs/dbraw/zinc/53/67/08/448536708.db2.gz YZNXZEWNOWEWON-MRXNPFEDSA-N 2 0 327.432 1.455 20 0 EDADRP CN1CCN(C(=O)NCc2ccccc2OC(F)F)[C@@H](C[NH3+])C1 ZINC000517097248 448537314 /nfs/dbraw/zinc/53/73/14/448537314.db2.gz JUSJFOUHAQEVJP-LBPRGKRZSA-N 2 0 328.363 1.072 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCc3nc(C)ncc3C2)CC[NH2+]CC1 ZINC000573082324 448537464 /nfs/dbraw/zinc/53/74/64/448537464.db2.gz OQWPUEXWSUINAJ-CJNGLKHVSA-N 2 0 346.475 1.553 20 0 EDADRP Cc1cc(NC(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)n(C2CC[NH+](C)CC2)n1 ZINC000578422985 448539527 /nfs/dbraw/zinc/53/95/27/448539527.db2.gz SXZJHAGQZPNPLW-KBPBESRZSA-N 2 0 334.468 1.672 20 0 EDADRP O=C(c1cn(C[C@@H]2CCC[NH2+]2)nn1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000573087705 448540139 /nfs/dbraw/zinc/54/01/39/448540139.db2.gz QIENZEAEZVKSOC-JKSUJKDBSA-N 2 0 346.479 1.121 20 0 EDADRP CN1CC[NH+](CCC(C)(C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000578695893 448611069 /nfs/dbraw/zinc/61/10/69/448611069.db2.gz PNYWDIYJMQAOEE-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP CN(Cc1ccccc1)[C@@H](C[NH2+]C[C@@H](O)CN1CCOCC1)C1CC1 ZINC000573318195 448595664 /nfs/dbraw/zinc/59/56/64/448595664.db2.gz LDVHBJPBTBSGPJ-UXHICEINSA-N 2 0 347.503 1.180 20 0 EDADRP Cc1cc(NC(=O)CC[NH2+]Cc2ccc(C[NH+](C)C)c(F)c2)no1 ZINC000578860366 448653704 /nfs/dbraw/zinc/65/37/04/448653704.db2.gz PENFMUPMHDGKQA-UHFFFAOYSA-N 2 0 334.395 2.302 20 0 EDADRP C[C@@]1(CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC[N@@H+]1Cc1ccccc1 ZINC000573583864 448665742 /nfs/dbraw/zinc/66/57/42/448665742.db2.gz PYNMDMMVQVEFJA-FAJBIJEISA-N 2 0 328.460 1.558 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3oc(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000579001215 448691580 /nfs/dbraw/zinc/69/15/80/448691580.db2.gz IYUUPOLNNUSGDM-CYBMUJFWSA-N 2 0 346.431 1.436 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000573746955 448703755 /nfs/dbraw/zinc/70/37/55/448703755.db2.gz XRIRQMGRCAZQTI-OAHLLOKOSA-N 2 0 347.463 1.264 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000579133455 448725042 /nfs/dbraw/zinc/72/50/42/448725042.db2.gz QGXBSOAPTBBGIJ-MRXNPFEDSA-N 2 0 346.475 1.799 20 0 EDADRP CC(C)c1ccc(OCC[NH2+]C[C@@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000519347398 448760724 /nfs/dbraw/zinc/76/07/24/448760724.db2.gz NDXYGUXUCZHHDG-GOSISDBHSA-N 2 0 335.492 1.387 20 0 EDADRP O=C(c1cc(-n2ccnc2)ccn1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000567828369 448771114 /nfs/dbraw/zinc/77/11/14/448771114.db2.gz MSSKRKNFGHAMQE-GJZGRUSLSA-N 2 0 325.416 1.729 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1(C[NH3+])CCOCC1 ZINC000529319731 448820817 /nfs/dbraw/zinc/82/08/17/448820817.db2.gz CLZCDLCYGSGBMQ-NVXWUHKLSA-N 2 0 346.475 1.314 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C[C@@H]3CCCC[C@@H]3[NH3+])C2)CC1 ZINC000579589425 448828324 /nfs/dbraw/zinc/82/83/24/448828324.db2.gz DEHJTKKFJGUYGS-KSZLIROESA-N 2 0 336.524 1.521 20 0 EDADRP CC[N@@H+]1CCN(C(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)[C@@H](C)C1 ZINC000579626915 448839693 /nfs/dbraw/zinc/83/96/93/448839693.db2.gz KYUIIMDOKBCCOO-FUHWJXTLSA-N 2 0 330.476 1.846 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CC2)[C@@H](C)C1 ZINC000574403141 448866516 /nfs/dbraw/zinc/86/65/16/448866516.db2.gz XTAGSTLVRHUVJJ-SZMVWBNQSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccc2c(c1)CCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000574422005 448872852 /nfs/dbraw/zinc/87/28/52/448872852.db2.gz CIOIABUDAQFPED-OAHLLOKOSA-N 2 0 331.460 1.641 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC3CC([NH+]4CCCCC4)C3)c21 ZINC000592561736 448901628 /nfs/dbraw/zinc/90/16/28/448901628.db2.gz IRUGSUSKUHFOFC-NFOMZHRRSA-N 2 0 331.464 1.466 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCCC[C@@H]2CO)ncn1 ZINC000574551232 448901971 /nfs/dbraw/zinc/90/19/71/448901971.db2.gz KMGNRZOXNHRMRV-WHDPVNKASA-N 2 0 331.464 1.756 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000579947408 448917853 /nfs/dbraw/zinc/91/78/53/448917853.db2.gz KFXDVRJSSSPJRB-UHFFFAOYSA-N 2 0 330.476 1.050 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCCCC[NH2+]3)CC2)C[C@H](C)O1 ZINC000574640599 448922762 /nfs/dbraw/zinc/92/27/62/448922762.db2.gz LRFTYXQJRSKHRD-JZXOWHBKSA-N 2 0 337.508 1.866 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000520368278 448889579 /nfs/dbraw/zinc/88/95/79/448889579.db2.gz JCQAMOUSRHUNPN-MSOLQXFVSA-N 2 0 330.476 1.715 20 0 EDADRP COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000520398111 448891631 /nfs/dbraw/zinc/89/16/31/448891631.db2.gz RGKUJXXAQGFJQZ-VKSPVCMPSA-N 2 0 348.487 1.785 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592549769 448892928 /nfs/dbraw/zinc/89/29/28/448892928.db2.gz CIEYPGBHCRBEOI-OAHLLOKOSA-N 2 0 333.480 1.700 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569337553 449005879 /nfs/dbraw/zinc/00/58/79/449005879.db2.gz GOMUVAVGGXPUBT-HRCADAONSA-N 2 0 327.517 1.170 20 0 EDADRP CC(C)[C@H](C(=O)Nc1ccc(CN2CC[NH+](C)CC2)cc1)[NH+](C)C ZINC000592840146 449012755 /nfs/dbraw/zinc/01/27/55/449012755.db2.gz KUGOAKCINLJSOE-GOSISDBHSA-N 2 0 332.492 1.959 20 0 EDADRP C=Cn1cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)cn1 ZINC000569543244 449038023 /nfs/dbraw/zinc/03/80/23/449038023.db2.gz VQWSMKCNQROLLQ-UHFFFAOYSA-N 2 0 333.480 1.700 20 0 EDADRP CN(C(=O)NC1CCN(c2ccccn2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000522080574 449048950 /nfs/dbraw/zinc/04/89/50/449048950.db2.gz QIOWOHKMPKJRBH-KRWDZBQOSA-N 2 0 343.475 1.929 20 0 EDADRP CN(Cc1ccccc1)C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239311 449090438 /nfs/dbraw/zinc/09/04/38/449090438.db2.gz RQVYIDUAHBBEAM-IBGZPJMESA-N 2 0 345.487 1.736 20 0 EDADRP COC(=O)[C@H]1C[C@@H]([NH+](C)C/C=C/C[N@@H+](C)[C@H]2C[C@@H](C(=O)OC)C2)C1 ZINC000595851067 449207642 /nfs/dbraw/zinc/20/76/42/449207642.db2.gz UQSPQLKYEIAWLS-ZFBIZUAJSA-N 2 0 338.448 1.309 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000590563934 449191928 /nfs/dbraw/zinc/19/19/28/449191928.db2.gz AWTUTCJBRAXJHG-JKSUJKDBSA-N 2 0 343.537 1.383 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N[C@H]2CCC[NH+](C)C2)[C@@H](C)C1 ZINC000604643701 449268550 /nfs/dbraw/zinc/26/85/50/449268550.db2.gz VZWDUDGZYOZWLT-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)NC[C@@H]3CCC[N@H+](CC4CC4)C3)c21 ZINC000595991759 449300911 /nfs/dbraw/zinc/30/09/11/449300911.db2.gz JYTYSPPTPVLTSY-HOTGVXAUSA-N 2 0 345.491 1.571 20 0 EDADRP CC[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427046 449381924 /nfs/dbraw/zinc/38/19/24/449381924.db2.gz NZNZNOPNIHIEGR-HOTGVXAUSA-N 2 0 338.496 1.048 20 0 EDADRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)C[C@H]1C ZINC000600683169 449490884 /nfs/dbraw/zinc/49/08/84/449490884.db2.gz SIHCVGLOMSEHLI-OCVGTWLNSA-N 2 0 335.452 1.270 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)CC1 ZINC000600711163 449509419 /nfs/dbraw/zinc/50/94/19/449509419.db2.gz RMRZCYDDOIUVOR-DZKIICNBSA-N 2 0 339.480 1.297 20 0 EDADRP [NH3+]CCSCc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000594656498 449611456 /nfs/dbraw/zinc/61/14/56/449611456.db2.gz WEHVPBTXWYBVSE-MRXNPFEDSA-N 2 0 331.489 1.992 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1([S@](C)=O)CC[NH2+]CC1)C1CCCCC1 ZINC000602469698 449615533 /nfs/dbraw/zinc/61/55/33/449615533.db2.gz WCYPLJLLKZTLAR-CMJOXMDJSA-N 2 0 343.537 1.114 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3c[nH]c4ncncc34)C2)CC1 ZINC000602487246 449627946 /nfs/dbraw/zinc/62/79/46/449627946.db2.gz WGYLACPZIQEKRB-INIZCTEOSA-N 2 0 328.464 1.510 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)CC1 ZINC000617503409 449646939 /nfs/dbraw/zinc/64/69/39/449646939.db2.gz HUZCRIVGWJNUQQ-INIZCTEOSA-N 2 0 326.529 1.495 20 0 EDADRP COC(=O)[C@H]1CCC[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602599512 449696453 /nfs/dbraw/zinc/69/64/53/449696453.db2.gz AHMRYQCUOLSYDW-KGLIPLIRSA-N 2 0 346.431 1.409 20 0 EDADRP COC(=O)CC[NH+]1CCC2(CC1)NC(=[NH2+])Nc1nc3ccccc3n12 ZINC000602762771 449789349 /nfs/dbraw/zinc/78/93/49/449789349.db2.gz VWBFOUGKBKFVTH-UHFFFAOYSA-N 2 0 342.403 1.298 20 0 EDADRP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000594924120 449809211 /nfs/dbraw/zinc/80/92/11/449809211.db2.gz HISXJEDHSVSATC-CWRNSKLLSA-N 2 0 332.448 1.121 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000594944731 449816181 /nfs/dbraw/zinc/81/61/81/449816181.db2.gz VNJBESSTJZEFSG-ZWQIFLOQSA-N 2 0 346.471 1.931 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)N[C@H]2CCC[NH+](C)C2)C1 ZINC000608648471 449896134 /nfs/dbraw/zinc/89/61/34/449896134.db2.gz VEFSTHLCAJIOJI-ZWKOTPCHSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@]1(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC[NH2+]C1 ZINC000612870917 449920145 /nfs/dbraw/zinc/92/01/45/449920145.db2.gz JODNYQZLCFVCNK-OAHLLOKOSA-N 2 0 326.510 1.399 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@@H]1CC12CC[NH2+]CC2)Cc1ccccc1 ZINC000612964571 449960291 /nfs/dbraw/zinc/96/02/91/449960291.db2.gz RMOGQXJXIBCQHM-DLBZAZTESA-N 2 0 330.476 1.601 20 0 EDADRP C[N@H+](CCNC(=O)N[C@H]1CC12CC[NH2+]CC2)Cc1ccc(F)cc1 ZINC000612976236 449967581 /nfs/dbraw/zinc/96/75/81/449967581.db2.gz IYBVUYCZGFFXMX-INIZCTEOSA-N 2 0 334.439 1.699 20 0 EDADRP CN(CC(=O)NCC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000625343421 450305930 /nfs/dbraw/zinc/30/59/30/450305930.db2.gz MQFXYESRUAJAJU-HXUWFJFHSA-N 2 0 347.503 1.718 20 0 EDADRP CC(C)c1ncc2c(n1)CC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000623238929 450462020 /nfs/dbraw/zinc/46/20/20/450462020.db2.gz YIBKGMRCHDRMOO-CQSZACIVSA-N 2 0 331.464 1.155 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000623404196 450515774 /nfs/dbraw/zinc/51/57/74/450515774.db2.gz UHYTYAXFTAETGV-BRWVUGGUSA-N 2 0 340.512 1.517 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N(CC)CC[NH3+] ZINC000625865368 450523933 /nfs/dbraw/zinc/52/39/33/450523933.db2.gz AYEBGMKNAGYZTP-UHFFFAOYSA-N 2 0 349.479 1.650 20 0 EDADRP C[C@@H](C(=O)N1CCO[C@H](CCC[NH+](C)C)C1)[NH+]1CCCCCC1 ZINC000620970302 450567073 /nfs/dbraw/zinc/56/70/73/450567073.db2.gz OHSZGTJNSUSFSQ-DLBZAZTESA-N 2 0 325.497 1.820 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CCCCC[C@@H]([NH3+])C2)ccc1C[NH+](C)C ZINC000633011937 450608751 /nfs/dbraw/zinc/60/87/51/450608751.db2.gz FIJHHAQZYATCHR-MRXNPFEDSA-N 2 0 346.475 1.725 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000633021847 450615793 /nfs/dbraw/zinc/61/57/93/450615793.db2.gz BJBWMRIUQMHFLI-HOTGVXAUSA-N 2 0 330.432 1.040 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@@H]1CCCCO1 ZINC000623887098 450624669 /nfs/dbraw/zinc/62/46/69/450624669.db2.gz UKSOZXPKTIJFFT-ROUUACIJSA-N 2 0 347.507 1.926 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[NH+]1C ZINC000623890788 450626405 /nfs/dbraw/zinc/62/64/05/450626405.db2.gz WTAHZMRIPROUPK-CGTJXYLNSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@H]1C[C@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000633039384 450636370 /nfs/dbraw/zinc/63/63/70/450636370.db2.gz SWLGEOOOIPFENN-HOCLYGCPSA-N 2 0 344.459 1.559 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000633042064 450640031 /nfs/dbraw/zinc/64/00/31/450640031.db2.gz QLTMBPHEEBSICJ-GDBMZVCRSA-N 2 0 344.459 1.212 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000627331588 450653312 /nfs/dbraw/zinc/65/33/12/450653312.db2.gz BTKRMTNNKCODKU-QGZVFWFLSA-N 2 0 346.475 1.055 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627332495 450654530 /nfs/dbraw/zinc/65/45/30/450654530.db2.gz BHTOVMXJJBFLQS-ARFHVFGLSA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H](Nc1cc(N2CC[C@H]([C@H](C)O)C2)ncn1)C1CC[NH+](C)CC1 ZINC000623969830 450655535 /nfs/dbraw/zinc/65/55/35/450655535.db2.gz VWSFYIHDUJGOQH-YCPHGPKFSA-N 2 0 333.480 1.826 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)cn1 ZINC000633073427 450659274 /nfs/dbraw/zinc/65/92/74/450659274.db2.gz VRUGHRSIUSPKJH-QGZVFWFLSA-N 2 0 347.438 1.617 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000635130303 450675559 /nfs/dbraw/zinc/67/55/59/450675559.db2.gz NZFIXMBJSMKCLU-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000633118402 450696477 /nfs/dbraw/zinc/69/64/77/450696477.db2.gz PTXNQUIWPMNJSR-HNNXBMFYSA-N 2 0 340.512 1.151 20 0 EDADRP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(CCN3CCOCC3)CC2)C1 ZINC000624120836 450715377 /nfs/dbraw/zinc/71/53/77/450715377.db2.gz HYNHQXYQLYRUHK-SFHVURJKSA-N 2 0 338.540 1.105 20 0 EDADRP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc4nncn4n3)C2)c2ccccc21 ZINC000629525285 450726513 /nfs/dbraw/zinc/72/65/13/450726513.db2.gz XIHICKNEPMTERR-APHBMKBZSA-N 2 0 335.415 1.437 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000635183364 450727093 /nfs/dbraw/zinc/72/70/93/450727093.db2.gz OEXHKSIJWGECKF-UHFFFAOYSA-N 2 0 325.497 1.770 20 0 EDADRP COc1cccc([C@@H](CNC[C@H](O)C[NH+]2CCCC2)[NH+]2CCCC2)c1 ZINC000629554768 450733312 /nfs/dbraw/zinc/73/33/12/450733312.db2.gz BGBJQQSUWXPGFP-AZUAARDMSA-N 2 0 347.503 1.878 20 0 EDADRP C(c1nc(C2CCOCC2)no1)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000629575016 450744572 /nfs/dbraw/zinc/74/45/72/450744572.db2.gz MSFQMOJBRWCGAE-OAHLLOKOSA-N 2 0 334.464 1.828 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCOCC[NH3+] ZINC000629578394 450745412 /nfs/dbraw/zinc/74/54/12/450745412.db2.gz BTUIJGXOCOZRMW-KGLIPLIRSA-N 2 0 325.478 1.707 20 0 EDADRP C[C@@H](CNS(=O)(=O)CCC[NH+]1CCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000631748922 450748608 /nfs/dbraw/zinc/74/86/08/450748608.db2.gz LSLMFPYTOSYXSV-HOTGVXAUSA-N 2 0 331.526 1.512 20 0 EDADRP CC(C)C[C@H](C)N(C)C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629590796 450752871 /nfs/dbraw/zinc/75/28/71/450752871.db2.gz OZCAXOPFYFQHLA-WMZOPIPTSA-N 2 0 339.524 1.970 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621651974 450815122 /nfs/dbraw/zinc/81/51/22/450815122.db2.gz TYSCTRWOXXHPDT-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP C[C@H](CNC(=O)C(C)(C)C[NH+]1CCOCC1)[N@@H+]1CCCC[C@@H]1C ZINC000635286788 450817543 /nfs/dbraw/zinc/81/75/43/450817543.db2.gz GNTHJFNJCFPLRW-JKSUJKDBSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(CC[C@H]1CCC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000621668401 450824106 /nfs/dbraw/zinc/82/41/06/450824106.db2.gz DOBUXUUJAXJNCH-VQIMIIECSA-N 2 0 345.487 1.649 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000635312716 450836533 /nfs/dbraw/zinc/83/65/33/450836533.db2.gz NYVZRUPGAWWNED-LJQANCHMSA-N 2 0 344.503 1.392 20 0 EDADRP C[C@@H]1CN(c2nc(N)[nH+]c(N)n2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000624347642 450802050 /nfs/dbraw/zinc/80/20/50/450802050.db2.gz VRODPZWESHFRKF-FRRDWIJNSA-N 2 0 327.436 1.184 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000631923568 450882199 /nfs/dbraw/zinc/88/21/99/450882199.db2.gz WGSKVXWTLPQNIO-KRWDZBQOSA-N 2 0 343.537 1.752 20 0 EDADRP C[N@H+](CC(=O)N1CCN(C2C[C@H]3CC[C@@H](C2)[NH+]3C)CC1)C1CCC1 ZINC000629975448 450929016 /nfs/dbraw/zinc/92/90/16/450929016.db2.gz QHYNHBWHSWYPCQ-JWTNVVGKSA-N 2 0 334.508 1.240 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC2(C[NH3+])CCCCC2)cc1 ZINC000631979175 450937571 /nfs/dbraw/zinc/93/75/71/450937571.db2.gz DFJRLOPBRKCIBA-UHFFFAOYSA-N 2 0 325.478 1.688 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000626844389 450949586 /nfs/dbraw/zinc/94/95/86/450949586.db2.gz KAKIDBFMTJZWPU-INIZCTEOSA-N 2 0 332.448 1.143 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000626918126 451003051 /nfs/dbraw/zinc/00/30/51/451003051.db2.gz OTGPJAYKOWRQSR-UHFFFAOYSA-N 2 0 334.464 1.268 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)c1cccs1 ZINC000626920546 451005387 /nfs/dbraw/zinc/00/53/87/451005387.db2.gz DMMVQJIDPGZGGL-LBPRGKRZSA-N 2 0 326.466 1.158 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)NCC1([NH3+])CCOCC1 ZINC000626925848 451008647 /nfs/dbraw/zinc/00/86/47/451008647.db2.gz SPZIZIXOYPAROO-UHFFFAOYSA-N 2 0 348.491 1.836 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NC[C@H]1COCC[NH2+]1)[NH+]1CCCC1 ZINC000626929149 451012233 /nfs/dbraw/zinc/01/22/33/451012233.db2.gz IBBJZDMOLJJDTR-HOTGVXAUSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NCc2cccc(OCC[NH+](C)C)c2)C[NH2+]1 ZINC000626931642 451014326 /nfs/dbraw/zinc/01/43/26/451014326.db2.gz JZUPWIYIEHRFSW-GOEBONIOSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCCC[N@@H+]2CCc3ccccc3C2)C[NH2+]1 ZINC000626935066 451017874 /nfs/dbraw/zinc/01/78/74/451017874.db2.gz WMWJCQOQVDNENZ-YJBOKZPZSA-N 2 0 330.476 1.875 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626946795 451025295 /nfs/dbraw/zinc/02/52/95/451025295.db2.gz AWVDEDFBTQXMBV-CQSZACIVSA-N 2 0 326.485 1.304 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635559150 451057235 /nfs/dbraw/zinc/05/72/35/451057235.db2.gz FREMAFUVQCDVCN-WMZOPIPTSA-N 2 0 336.524 1.393 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000635559859 451057359 /nfs/dbraw/zinc/05/73/59/451057359.db2.gz UHVKGXKLDYKHAB-UHFFFAOYSA-N 2 0 347.463 1.374 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N(C)CCOCC[NH3+] ZINC000626993702 451060175 /nfs/dbraw/zinc/06/01/75/451060175.db2.gz KYMAZTCFMNAZLV-SJLPKXTDSA-N 2 0 348.491 1.514 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(C)CCOCC[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000626998486 451063993 /nfs/dbraw/zinc/06/39/93/451063993.db2.gz OATUFMIWEXIENJ-NVXWUHKLSA-N 2 0 334.464 1.266 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000627027386 451088447 /nfs/dbraw/zinc/08/84/47/451088447.db2.gz ONXNFSFBIHLULG-MRXNPFEDSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+]C1(CNC(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)CCOCC1 ZINC000627027085 451088950 /nfs/dbraw/zinc/08/89/50/451088950.db2.gz IIAPHKSRYDSROG-INIZCTEOSA-N 2 0 338.496 1.591 20 0 EDADRP C[C@H]1[C@@H](NC(=O)NCCOCCC[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000627038725 451095561 /nfs/dbraw/zinc/09/55/61/451095561.db2.gz LZHNOGUJBAIELE-RDJZCZTQSA-N 2 0 334.464 1.314 20 0 EDADRP C[C@@H](NS(=O)(=O)CCC[NH+](C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632197337 451107539 /nfs/dbraw/zinc/10/75/39/451107539.db2.gz PCMHZIVWEZMIAK-HUUCEWRRSA-N 2 0 331.526 1.511 20 0 EDADRP C[C@H](NC(=O)N1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)[C@@H]1CCC[NH2+]C1 ZINC000627069408 451110533 /nfs/dbraw/zinc/11/05/33/451110533.db2.gz OFULIVSAHVWXRH-RNJOBUHISA-N 2 0 336.402 1.543 20 0 EDADRP CCO[C@H](C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C1CC1 ZINC000625023385 451116309 /nfs/dbraw/zinc/11/63/09/451116309.db2.gz FAVBFDJJHYBRCL-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627133559 451143012 /nfs/dbraw/zinc/14/30/12/451143012.db2.gz JUOSSPXCZJJTHK-MRXNPFEDSA-N 2 0 331.464 1.439 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)c2oc(C[NH3+])cc2C)[C@H](C)C1 ZINC000638118267 451285739 /nfs/dbraw/zinc/28/57/39/451285739.db2.gz WJQLECZNKFEYJG-GDBMZVCRSA-N 2 0 337.464 1.914 20 0 EDADRP [NH3+]C[C@]1(C(=O)Nc2cccc(C[NH+]3CCSCC3)c2)CCCOC1 ZINC000638088480 451254270 /nfs/dbraw/zinc/25/42/70/451254270.db2.gz GZHOUCKSLAUNMX-GOSISDBHSA-N 2 0 349.500 1.929 20 0 EDADRP CC(C)(C)[C@]1(C[N@H+]2C[C@@H](O)[C@@H](O)C2)CC[NH+](Cc2ccccc2)C1 ZINC000638096208 451260623 /nfs/dbraw/zinc/26/06/23/451260623.db2.gz ZJQYXVRTVZCDFS-WSTZPKSXSA-N 2 0 332.488 1.962 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1nnn([C@@H]2CC[NH2+]C2)c1C(F)F ZINC000638096966 451261654 /nfs/dbraw/zinc/26/16/54/451261654.db2.gz OQGDTXOSHUCDCO-WDEREUQCSA-N 2 0 344.410 1.210 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)cc1 ZINC000638120766 451289756 /nfs/dbraw/zinc/28/97/56/451289756.db2.gz GEJUFQLFNQZTCO-YOEHRIQHSA-N 2 0 346.475 1.789 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC[N@@H+]4CCCC[C@H]34)cn2)CC1 ZINC000636596286 451335885 /nfs/dbraw/zinc/33/58/85/451335885.db2.gz LPPUDXHZJOCBQH-DLBZAZTESA-N 2 0 346.479 1.898 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)C1 ZINC000638126297 451296952 /nfs/dbraw/zinc/29/69/52/451296952.db2.gz SXNLAHIZGXUFPB-MOPGFXCFSA-N 2 0 346.519 1.636 20 0 EDADRP Cc1cc(C[NH3+])oc1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000638137481 451310310 /nfs/dbraw/zinc/31/03/10/451310310.db2.gz VWZTWCBHSRYBRG-UHFFFAOYSA-N 2 0 328.416 1.836 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000638141809 451316395 /nfs/dbraw/zinc/31/63/95/451316395.db2.gz IGHHKNHQPDQAJO-RBUKOAKNSA-N 2 0 344.503 1.436 20 0 EDADRP CO[C@@]1(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)CCOC1 ZINC000638152557 451324092 /nfs/dbraw/zinc/32/40/92/451324092.db2.gz MAJAOQUJBZRAOB-GOSISDBHSA-N 2 0 325.497 1.282 20 0 EDADRP [NH3+][C@H](C(=O)N1CC[C@]2(CC[NH2+]C2)C1)c1ccc(C(F)(F)F)cc1 ZINC000638172268 451334966 /nfs/dbraw/zinc/33/49/66/451334966.db2.gz VEKBHOMWMNPOPR-ZFWWWQNUSA-N 2 0 327.350 1.917 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)CN1CC[NH2+]CC1 ZINC000638201629 451352666 /nfs/dbraw/zinc/35/26/66/451352666.db2.gz MVUAMEBSLGHKSN-RBUKOAKNSA-N 2 0 344.503 1.090 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638213781 451358727 /nfs/dbraw/zinc/35/87/27/451358727.db2.gz OZMHMBTYWDRUHG-IMFGXOCKSA-N 2 0 345.487 1.639 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000630750006 451383219 /nfs/dbraw/zinc/38/32/19/451383219.db2.gz MGVBBKPQZLLGIQ-CALCHBBNSA-N 2 0 349.523 1.933 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000638266749 451388164 /nfs/dbraw/zinc/38/81/64/451388164.db2.gz ROCYOLBDPIVIKB-STQMWFEESA-N 2 0 331.338 1.200 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000638274347 451393887 /nfs/dbraw/zinc/39/38/87/451393887.db2.gz FMFRWOVPWVUSBC-KBXCAEBGSA-N 2 0 333.476 1.754 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Nc2cc(C[NH+](C)C)ccn2)C1 ZINC000640556610 451403795 /nfs/dbraw/zinc/40/37/95/451403795.db2.gz LLEHIGRUWRNDKS-INIZCTEOSA-N 2 0 349.479 1.622 20 0 EDADRP CO[C@]1(C[NH2+]CCN2CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000638290501 451406297 /nfs/dbraw/zinc/40/62/97/451406297.db2.gz HPOVINVPBUFHQB-IBGZPJMESA-N 2 0 333.476 1.199 20 0 EDADRP C[NH+](C)Cc1ccnc(NC(=O)N[C@H]2CCC[N@H+](CCCO)C2)c1 ZINC000640574637 451419321 /nfs/dbraw/zinc/41/93/21/451419321.db2.gz HNERPDIGQMISBA-HNNXBMFYSA-N 2 0 335.452 1.112 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2OCC[C@@H]2[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000638307439 451420985 /nfs/dbraw/zinc/42/09/85/451420985.db2.gz BJKRVYHQWCCUSP-XOYOTBSWSA-N 2 0 331.460 1.520 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)NCC1CC[NH+](C2CC2)CC1 ZINC000638323745 451433210 /nfs/dbraw/zinc/43/32/10/451433210.db2.gz LWFDTUOGEJEEFD-UHFFFAOYSA-N 2 0 327.472 1.865 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000638329882 451437570 /nfs/dbraw/zinc/43/75/70/451437570.db2.gz QEDPHCPXURRLAZ-DSLXNQLJSA-N 2 0 345.487 1.910 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cnn(CC2CC2)c1 ZINC000630879231 451457479 /nfs/dbraw/zinc/45/74/79/451457479.db2.gz HDPCLLZJZXCQNP-SFHVURJKSA-N 2 0 347.507 1.781 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cnn(C(F)F)c1 ZINC000630879606 451458871 /nfs/dbraw/zinc/45/88/71/451458871.db2.gz KMINQXPTVDKTSM-CQSZACIVSA-N 2 0 343.422 1.766 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+]C[C@@H](OC)C2CCOCC2)CC1 ZINC000638359342 451459111 /nfs/dbraw/zinc/45/91/11/451459111.db2.gz KETXKWMYYWWOTI-GOSISDBHSA-N 2 0 327.513 1.435 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000634689648 451465055 /nfs/dbraw/zinc/46/50/55/451465055.db2.gz UGUJEADMOPSEQW-OAHLLOKOSA-N 2 0 330.476 1.540 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CCc3ccccc3[C@@H]2C[NH3+])cn1 ZINC000638373405 451470484 /nfs/dbraw/zinc/47/04/84/451470484.db2.gz QQYGIFIHJHWCBL-KRWDZBQOSA-N 2 0 327.432 1.143 20 0 EDADRP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1)CC1(O)CCOCC1 ZINC000634699520 451472188 /nfs/dbraw/zinc/47/21/88/451472188.db2.gz KRIPFXNJZWKVNP-LJQANCHMSA-N 2 0 348.487 1.665 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000638383346 451476554 /nfs/dbraw/zinc/47/65/54/451476554.db2.gz GWVPMCMDUSEMMJ-SCTDSRPQSA-N 2 0 330.476 1.033 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)CC(C)(C)C ZINC000638386583 451479822 /nfs/dbraw/zinc/47/98/22/451479822.db2.gz NPLQHVAPLGKITD-ARFHVFGLSA-N 2 0 325.497 1.709 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[NH+](C)C ZINC000636073100 451488497 /nfs/dbraw/zinc/48/84/97/451488497.db2.gz IGODEPWFMCUPSY-ILZDJORESA-N 2 0 345.487 1.591 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)C1 ZINC000638412291 451497768 /nfs/dbraw/zinc/49/77/68/451497768.db2.gz WUYVIQIROKKXIH-DXCKQFNASA-N 2 0 337.414 1.868 20 0 EDADRP OC1CC[NH+](CCCNC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000634718677 451498225 /nfs/dbraw/zinc/49/82/25/451498225.db2.gz HQJMXTPECIIAEB-FQEVSTJZSA-N 2 0 347.503 1.060 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2)CC[C@H]1C(F)(F)F ZINC000638555505 451574823 /nfs/dbraw/zinc/57/48/23/451574823.db2.gz HIESJWMJESDZLC-DGCLKSJQSA-N 2 0 326.322 1.934 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCOCC1 ZINC000638540549 451569257 /nfs/dbraw/zinc/56/92/57/451569257.db2.gz OTXRHOODOOCKFB-UHFFFAOYSA-N 2 0 331.416 1.732 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000638571304 451583634 /nfs/dbraw/zinc/58/36/34/451583634.db2.gz IUWHSYUWCOTOFO-ZWKOTPCHSA-N 2 0 330.476 1.304 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000632947629 451664784 /nfs/dbraw/zinc/66/47/84/451664784.db2.gz FLCVYIUJCZNPHJ-UHFFFAOYSA-N 2 0 342.447 1.412 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cccc(-n3cncn3)c2)CC1 ZINC000638656680 451635644 /nfs/dbraw/zinc/63/56/44/451635644.db2.gz UQTYEKXROZQPKT-UHFFFAOYSA-N 2 0 329.448 1.592 20 0 EDADRP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000634998579 451641074 /nfs/dbraw/zinc/64/10/74/451641074.db2.gz HRQVLUGSSCLNQZ-KRWDZBQOSA-N 3 0 336.524 1.524 20 0 EDADRP C[C@H]([NH2+]CC[C@H]([NH3+])Cc1ccccc1)c1ccc(S(N)(=O)=O)cc1 ZINC000635007932 451647361 /nfs/dbraw/zinc/64/73/61/451647361.db2.gz QJKKTHHKCCARTA-YOEHRIQHSA-N 2 0 347.484 1.945 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](n1cncn1)C(F)(F)F ZINC000635021344 451658324 /nfs/dbraw/zinc/65/83/24/451658324.db2.gz NYLNPSISYOTBMH-RNCFNFMXSA-N 2 0 328.342 1.894 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000636987429 451663556 /nfs/dbraw/zinc/66/35/56/451663556.db2.gz ALOWLCZENDMSCC-AWEZNQCLSA-N 2 0 333.436 1.064 20 0 EDADRP CC(C)c1nccn1CC(=O)N1CCN(CCc2cnccn2)CC1 ZINC000636328313 451681830 /nfs/dbraw/zinc/68/18/30/451681830.db2.gz DHYCGFGEQVVYCZ-UHFFFAOYSA-N 2 0 342.447 1.183 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000638800537 451694634 /nfs/dbraw/zinc/69/46/34/451694634.db2.gz NBIYNNSEYVPSGZ-ZIFCJYIRSA-N 2 0 331.460 1.392 20 0 EDADRP [NH3+]Cc1ccc2c(c1)N(C(=O)c1cnn([C@H]3CCC[NH2+]C3)c1)CCO2 ZINC000638807829 451697381 /nfs/dbraw/zinc/69/73/81/451697381.db2.gz POSCTOHZHGOWLY-HNNXBMFYSA-N 2 0 341.415 1.306 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000638845455 451708917 /nfs/dbraw/zinc/70/89/17/451708917.db2.gz QEAAVDLVEGOULR-HLIPFELVSA-N 2 0 343.471 1.481 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638849719 451709070 /nfs/dbraw/zinc/70/90/70/451709070.db2.gz DZWOMWKJFNPJBX-SUMDDJOVSA-N 2 0 331.460 1.249 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCc2cccc3c2CC[NH2+]C3)cn1 ZINC000638847300 451709288 /nfs/dbraw/zinc/70/92/88/451709288.db2.gz OBFVSANFVSYTEQ-UHFFFAOYSA-N 2 0 327.432 1.020 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000638850038 451710740 /nfs/dbraw/zinc/71/07/40/451710740.db2.gz AYMDKBJGVJLHBP-MOPGFXCFSA-N 2 0 345.487 1.926 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000638854924 451712133 /nfs/dbraw/zinc/71/21/33/451712133.db2.gz WMUMMWXHSUBJPQ-BMGDILEWSA-N 2 0 331.460 1.472 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CC1 ZINC000632953826 451667473 /nfs/dbraw/zinc/66/74/73/451667473.db2.gz BLSFNVVEKQDTRJ-GFCCVEGCSA-N 2 0 336.402 1.926 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000638728914 451668540 /nfs/dbraw/zinc/66/85/40/451668540.db2.gz NHSYAMSUMWLIPW-SFHVURJKSA-N 2 0 345.487 1.660 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N(C3CC3)[C@@H]3CC[NH2+]C3)cn2)CC1 ZINC000632961889 451670813 /nfs/dbraw/zinc/67/08/13/451670813.db2.gz VPSWUMUANRVVIT-MRXNPFEDSA-N 2 0 332.452 1.508 20 0 EDADRP Cc1ccccc1[C@H]([C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](O)C1)[NH+](C)C ZINC000637138555 451739046 /nfs/dbraw/zinc/73/90/46/451739046.db2.gz QLGAKEUYQLRYTD-RYRKJORJSA-N 2 0 348.491 1.352 20 0 EDADRP O=C(CC1CCCC1)NCC(=O)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638985060 451746765 /nfs/dbraw/zinc/74/67/65/451746765.db2.gz YDPVWFBEEVTOLO-UHFFFAOYSA-N 2 0 345.447 1.126 20 0 EDADRP Cc1cc(C)n([C@@H](C)CC(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)n1 ZINC000638986516 451747100 /nfs/dbraw/zinc/74/71/00/451747100.db2.gz RQFMVXWYEABDES-HNNXBMFYSA-N 2 0 342.447 1.894 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000642015731 451806478 /nfs/dbraw/zinc/80/64/78/451806478.db2.gz XIDBVYZMZQTLIZ-QGZVFWFLSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC000642178941 451831012 /nfs/dbraw/zinc/83/10/12/451831012.db2.gz UBHWPYZLVIIXFD-CABCVRRESA-N 2 0 346.475 1.230 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCC(=O)Nc3ccccc3)C2)CC1 ZINC000644561982 451863081 /nfs/dbraw/zinc/86/30/81/451863081.db2.gz MQSQMDHQFNUWHV-QGZVFWFLSA-N 2 0 330.476 1.773 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)COc1ccccc1F)CN1CC[NH+](C)CC1 ZINC000644563003 451864851 /nfs/dbraw/zinc/86/48/51/451864851.db2.gz LODAEICZAUSLJH-JKSUJKDBSA-N 2 0 339.455 1.039 20 0 EDADRP CC(C)[C@H](C(=O)N1CCOC2(CC[NH+](C)CC2)C1)[NH+]1CCCCC1 ZINC000649134121 451867317 /nfs/dbraw/zinc/86/73/17/451867317.db2.gz NBGGDKFCCQIHJF-QGZVFWFLSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]CCN2CCC([NH+](C)C)CC2)c1 ZINC000644584123 451877558 /nfs/dbraw/zinc/87/75/58/451877558.db2.gz HOWWTARGIKZIGN-IBGZPJMESA-N 2 0 349.519 1.659 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCO[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000649274360 451946370 /nfs/dbraw/zinc/94/63/70/451946370.db2.gz GFHGOMMOHSQBJJ-YJBOKZPZSA-N 2 0 349.475 1.595 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2C[C@H]3CCCCN3C2=O)cc1 ZINC000651607665 451955794 /nfs/dbraw/zinc/95/57/94/451955794.db2.gz KFTOHDSYGCLMHV-AEFFLSMTSA-N 2 0 331.460 1.870 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(CNC(=O)[C@@H]3C[NH2+]CCOC3)cc2)C1 ZINC000649288463 451962135 /nfs/dbraw/zinc/96/21/35/451962135.db2.gz SBQHXMFZZCZUEB-QFBILLFUSA-N 2 0 345.487 1.771 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCC[NH2+]1 ZINC000649288003 451962515 /nfs/dbraw/zinc/96/25/15/451962515.db2.gz YRZJPHWLYMWCQA-HXUWFJFHSA-N 2 0 345.487 1.578 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649290749 451966548 /nfs/dbraw/zinc/96/65/48/451966548.db2.gz RAHMHTNAOCSVGF-VQFNDLOPSA-N 2 0 331.460 1.489 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccsc1 ZINC000649292540 451967245 /nfs/dbraw/zinc/96/72/45/451967245.db2.gz OOGJNFSYAZEAJY-AWEZNQCLSA-N 2 0 325.478 1.626 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)COC1(C)C[NH2+]C1)Cc1ccccc1 ZINC000649292589 451969349 /nfs/dbraw/zinc/96/93/49/451969349.db2.gz RICYWQAESFITPM-QGZVFWFLSA-N 2 0 333.476 1.434 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)C2(CCOC)CC[NH2+]CC2)CC1 ZINC000649294182 451970376 /nfs/dbraw/zinc/97/03/76/451970376.db2.gz BEMHNPCKRRNLNO-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000649303003 451979726 /nfs/dbraw/zinc/97/97/26/451979726.db2.gz NIPNFHBVSSWCMC-HUUCEWRRSA-N 2 0 325.403 1.520 20 0 EDADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000649305971 451983676 /nfs/dbraw/zinc/98/36/76/451983676.db2.gz RELGHNNSVMWNGJ-IBGZPJMESA-N 2 0 344.459 1.213 20 0 EDADRP COC[C@@]1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CCC[NH2+]1 ZINC000649307471 451984795 /nfs/dbraw/zinc/98/47/95/451984795.db2.gz RNCWZUYEZIWVFX-RVKKMQEKSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)CN2CCCC[C@@H]([NH3+])C2=O)cc1 ZINC000649313283 451991216 /nfs/dbraw/zinc/99/12/16/451991216.db2.gz XSGUWAQYEFYNJG-MRXNPFEDSA-N 2 0 332.448 1.069 20 0 EDADRP C[N@@H+]1[C@@H]2CC[C@H]1CN(C(=O)Nc1cnn(C3CC[NH+](C)CC3)c1)CC2 ZINC000637666844 452007998 /nfs/dbraw/zinc/00/79/98/452007998.db2.gz HFRRGAPPXUHQLR-WBVHZDCISA-N 2 0 346.479 1.850 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1C[NH2+]CCC1(F)F ZINC000649333727 452014633 /nfs/dbraw/zinc/01/46/33/452014633.db2.gz SDWXTVVZWDODLW-CQSZACIVSA-N 2 0 345.434 1.383 20 0 EDADRP Cc1ccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000637688518 452019897 /nfs/dbraw/zinc/01/98/97/452019897.db2.gz SGYNBJKIWVBWOJ-INIZCTEOSA-N 2 0 334.464 1.898 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000643043306 452025185 /nfs/dbraw/zinc/02/51/85/452025185.db2.gz AEFMXIVQZLCCMI-ZIAGYGMSSA-N 2 0 327.436 1.461 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccc(Cl)cc1 ZINC000649346594 452028151 /nfs/dbraw/zinc/02/81/51/452028151.db2.gz VBFWWTXKFTZNLG-CQSZACIVSA-N 2 0 325.840 1.437 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2[NH2+]CC2(C)C)c2ccccc2)CC1 ZINC000649350645 452033468 /nfs/dbraw/zinc/03/34/68/452033468.db2.gz VQNHVFZYCQWMMN-IRXDYDNUSA-N 2 0 330.476 1.089 20 0 EDADRP O=C(N[C@H]1CC12CC[NH2+]CC2)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000647056315 452033632 /nfs/dbraw/zinc/03/36/32/452033632.db2.gz ZVHUKGNVJKAEJZ-SJORKVTESA-N 2 0 328.460 1.552 20 0 EDADRP CC[C@@H]1CN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC[C@H]1[NH3+] ZINC000649358797 452040687 /nfs/dbraw/zinc/04/06/87/452040687.db2.gz DNGAFGMFDQZILF-GDBMZVCRSA-N 2 0 331.464 1.033 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3C[C@H]4CC[N@@H+](C)[C@H]4C3)C2)cc1 ZINC000637718451 452044341 /nfs/dbraw/zinc/04/43/41/452044341.db2.gz YHMMQBYBSREOLP-QYZOEREBSA-N 2 0 342.487 1.915 20 0 EDADRP CO[C@@H](C)c1nc(CN2CCC[N@H+](C[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000649414544 452076853 /nfs/dbraw/zinc/07/68/53/452076853.db2.gz GDOLCGRVMXUHBN-LSDHHAIUSA-N 2 0 338.521 1.968 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417922 452079367 /nfs/dbraw/zinc/07/93/67/452079367.db2.gz OKPKSSZBEHSIJB-BZSNNMDCSA-N 2 0 336.524 1.251 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)c2cnn(CC[NH+](C)C)c2)cc1 ZINC000637831440 452105872 /nfs/dbraw/zinc/10/58/72/452105872.db2.gz YOQOXRRGLZTFCN-GOSISDBHSA-N 2 0 343.475 1.998 20 0 EDADRP C[C@H](C[NH2+]Cc1ccnn1-c1ccccn1)CN1CC[NH+](C)CC1 ZINC000647179705 452109532 /nfs/dbraw/zinc/10/95/32/452109532.db2.gz LRWROTGJRGGGCT-MRXNPFEDSA-N 2 0 328.464 1.240 20 0 EDADRP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](O)CO ZINC000643296425 452122216 /nfs/dbraw/zinc/12/22/16/452122216.db2.gz VOYZLZXBGASGMV-SFHVURJKSA-N 2 0 336.476 1.725 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)[C@@H]([NH3+])c2ccc(C(F)(F)F)cc2)CCO1 ZINC000637867176 452123028 /nfs/dbraw/zinc/12/30/28/452123028.db2.gz SFQAZTIIZJFCID-XDTLVQLUSA-N 2 0 331.338 1.280 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000637904674 452155408 /nfs/dbraw/zinc/15/54/08/452155408.db2.gz FUHQWSVLMLTYBF-UHFFFAOYSA-N 2 0 339.505 1.888 20 0 EDADRP CCCN(C(=O)NCCCC[NH+]1CCOCC1)[C@@H]1CC[N@H+](C)C1 ZINC000645165736 452189518 /nfs/dbraw/zinc/18/95/18/452189518.db2.gz PTYGPDYTASORRO-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP [NH3+]C[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000645222042 452218761 /nfs/dbraw/zinc/21/87/61/452218761.db2.gz ULIZQGXBCSKTNH-QGZVFWFLSA-N 2 0 328.391 1.612 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(CCN2CCOCC2)C1 ZINC000643455481 452232575 /nfs/dbraw/zinc/23/25/75/452232575.db2.gz JYGUAGDYDPFDPV-QYZOEREBSA-N 2 0 338.540 1.293 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2C[C@@]23CCC[NH2+]C3)CC1 ZINC000655468123 452262561 /nfs/dbraw/zinc/26/25/61/452262561.db2.gz IDTVHZJIKNWZKG-ZHALLVOQSA-N 2 0 334.508 1.005 20 0 EDADRP C[C@@H]1C[NH2+]C[C@@H](NCc2cccc(C[N@@H+]3CCC[C@@H](C(N)=O)C3)c2)C1 ZINC000647549116 452276685 /nfs/dbraw/zinc/27/66/85/452276685.db2.gz IVYMMZUIFPHGOY-IPELMVKDSA-N 2 0 344.503 1.472 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CN(C)CCO2)CCN1c1[nH+]ccc2[nH]ccc21 ZINC000663563090 452281910 /nfs/dbraw/zinc/28/19/10/452281910.db2.gz DAJLNNJMVZKFCK-CABCVRRESA-N 2 0 329.448 1.404 20 0 EDADRP C[C@H](CC(=O)NC[C@H](C)N1C[C@@H](C)O[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000655488396 452284000 /nfs/dbraw/zinc/28/40/00/452284000.db2.gz YQOAQEXIRNPRSX-ALYAQQCSSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@@H]1CC[C@H](C[NH3+])N(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000641808401 452287485 /nfs/dbraw/zinc/28/74/85/452287485.db2.gz NCTRNVHKTMPMFQ-UKBAYJJMSA-N 2 0 346.519 1.853 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000659444747 452292986 /nfs/dbraw/zinc/29/29/86/452292986.db2.gz MZAYTHJZFWHDJC-MRXNPFEDSA-N 2 0 336.480 1.800 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)CC[NH2+]CC1 ZINC000643530860 452293272 /nfs/dbraw/zinc/29/32/72/452293272.db2.gz FVZGAMHDRRWOHI-CQSZACIVSA-N 2 0 330.436 1.329 20 0 EDADRP C[C@@H]([NH3+])CN[C@@H](C[NH+]1CCC(C(N)=O)CC1)c1ccc(Cl)cc1 ZINC000643528005 452294234 /nfs/dbraw/zinc/29/42/34/452294234.db2.gz XEUNYXOQCOJCBC-WBMJQRKESA-N 2 0 338.883 1.515 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[C@H]1F ZINC000659450920 452299173 /nfs/dbraw/zinc/29/91/73/452299173.db2.gz IIPNEKPNJOTDAN-KZNAEPCWSA-N 2 0 348.466 1.632 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638050934 452322585 /nfs/dbraw/zinc/32/25/85/452322585.db2.gz VZFSEUJMLMWBSM-MJGOQNOKSA-N 2 0 333.476 1.434 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)NCC[N@@H+]1CCc2ccccc2C1 ZINC000652127244 452324152 /nfs/dbraw/zinc/32/41/52/452324152.db2.gz JFPNJLXRUWLJIC-UHFFFAOYSA-N 2 0 330.476 1.734 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccccc2)C[C@H]1C[NH3+] ZINC000652137618 452331983 /nfs/dbraw/zinc/33/19/83/452331983.db2.gz RDDXOGJARFSLAT-IAGOWNOFSA-N 2 0 334.464 1.124 20 0 EDADRP Cc1ccccc1-n1cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)nn1 ZINC000657573491 452342319 /nfs/dbraw/zinc/34/23/19/452342319.db2.gz OGLBNWFIOLSWEJ-KRWDZBQOSA-N 2 0 344.507 1.937 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)NC[C@H](c1ccc(OC(C)C)cc1)[NH+](C)C ZINC000659493075 452355352 /nfs/dbraw/zinc/35/53/52/452355352.db2.gz OWCYHUVADBEGKM-RHSMWYFYSA-N 2 0 336.480 1.984 20 0 EDADRP C[N@H+](CCNC(=O)NCCC1CC[NH2+]CC1)Cc1ccc(F)cc1 ZINC000652164472 452359606 /nfs/dbraw/zinc/35/96/06/452359606.db2.gz PRZBTAVMVAAEEL-UHFFFAOYSA-N 2 0 336.455 1.946 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCOC1 ZINC000638064439 452363686 /nfs/dbraw/zinc/36/36/86/452363686.db2.gz LPTQDYPDYMHKPN-IBGZPJMESA-N 2 0 331.460 1.654 20 0 EDADRP CO[C@H]1C[NH2+][C@@](C)(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)C1 ZINC000638065143 452367839 /nfs/dbraw/zinc/36/78/39/452367839.db2.gz RDCNBDXIRVPFBX-YLJYHZDGSA-N 2 0 345.487 1.707 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000638067007 452369890 /nfs/dbraw/zinc/36/98/90/452369890.db2.gz PTZKBWADRXYLQJ-CBZIJGRNSA-N 2 0 325.497 1.628 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000659506495 452370975 /nfs/dbraw/zinc/37/09/75/452370975.db2.gz CKYAZFCOGBHDRU-ULQDDVLXSA-N 2 0 334.439 1.713 20 0 EDADRP COC[C@@]1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)CCCC[NH2+]1 ZINC000638076209 452388988 /nfs/dbraw/zinc/38/89/88/452388988.db2.gz PGFMEKURLSRBOJ-PKOBYXMFSA-N 2 0 333.476 1.873 20 0 EDADRP C[C@@H](C[NH3+])CNC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659526277 452389007 /nfs/dbraw/zinc/38/90/07/452389007.db2.gz NHEUIIWZQZILGN-INIZCTEOSA-N 2 0 345.491 1.235 20 0 EDADRP C[C@H](CNC(=O)CC1([NH3+])CCN(Cc2ccccc2)CC1)[NH+](C)C ZINC000638081268 452397823 /nfs/dbraw/zinc/39/78/23/452397823.db2.gz WHDRQXBBMCOVAU-MRXNPFEDSA-N 2 0 332.492 1.436 20 0 EDADRP [NH3+]C[C@@H]1CC[C@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000659551366 452407046 /nfs/dbraw/zinc/40/70/46/452407046.db2.gz BBXMJUVUDKMKPV-FGTMMUONSA-N 2 0 346.475 1.180 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000659551367 452407165 /nfs/dbraw/zinc/40/71/65/452407165.db2.gz BBXMJUVUDKMKPV-KURKYZTESA-N 2 0 346.475 1.180 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCC1 ZINC000652216908 452412237 /nfs/dbraw/zinc/41/22/37/452412237.db2.gz JUZWNDHDDOFTIR-QAETUUGQSA-N 2 0 338.496 1.432 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000652218849 452412261 /nfs/dbraw/zinc/41/22/61/452412261.db2.gz DPDJIDXWLOABMH-SFHVURJKSA-N 2 0 346.475 1.283 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000659567446 452423436 /nfs/dbraw/zinc/42/34/36/452423436.db2.gz UXNIULMIEWLRKQ-QAPCUYQASA-N 2 0 345.491 1.672 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)N1CC[NH+]2C[C@H](O)C[C@H]2C1 ZINC000654377280 452427120 /nfs/dbraw/zinc/42/71/20/452427120.db2.gz GOFHFWCOLPZRNG-YESZJQIVSA-N 2 0 338.496 1.101 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659582634 452438443 /nfs/dbraw/zinc/43/84/43/452438443.db2.gz VECOPERXEBSFKJ-JENIJYKNSA-N 2 0 346.450 1.666 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000645472211 452442609 /nfs/dbraw/zinc/44/26/09/452442609.db2.gz JVAUWXJPACHUKP-GOSISDBHSA-N 2 0 331.460 1.408 20 0 EDADRP [NH3+]CCN(CCc1ccccc1)C(=O)NCc1ccc(C[NH3+])cc1F ZINC000652269034 452457024 /nfs/dbraw/zinc/45/70/24/452457024.db2.gz VUPUSBBLROJGMN-UHFFFAOYSA-N 2 0 344.434 1.997 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659621450 452479414 /nfs/dbraw/zinc/47/94/14/452479414.db2.gz FITCQYFTZMPAQM-IAGOWNOFSA-N 3 0 339.528 1.170 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659623462 452480535 /nfs/dbraw/zinc/48/05/35/452480535.db2.gz HKWMEPVFIIHDES-IAGOWNOFSA-N 3 0 341.544 1.417 20 0 EDADRP CCC(C)(C)[NH+]1CCN(C(=O)NCC2([NH+](C)C)CCOCC2)CC1 ZINC000654443893 452506260 /nfs/dbraw/zinc/50/62/60/452506260.db2.gz DHTIVQKVUYRYHH-UHFFFAOYSA-N 2 0 340.512 1.613 20 0 EDADRP Cc1ccccc1CNC(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652347111 452522144 /nfs/dbraw/zinc/52/21/44/452522144.db2.gz RUDGFSBRJVALCC-IPMKNSEASA-N 2 0 345.487 1.830 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000647791731 452525202 /nfs/dbraw/zinc/52/52/02/452525202.db2.gz LLNOTTJQZWYHJY-OWCLPIDISA-N 2 0 337.489 1.251 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647798231 452528631 /nfs/dbraw/zinc/52/86/31/452528631.db2.gz NDFXGZYCMXRQCB-CGTJXYLNSA-N 3 0 332.492 1.890 20 0 EDADRP C([C@@H]1CCOC1)[NH+]1CCC(NC2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655725944 452538939 /nfs/dbraw/zinc/53/89/39/452538939.db2.gz NZRYTVBKGLOFNE-QFBILLFUSA-N 2 0 337.508 1.330 20 0 EDADRP COc1ccc(CNC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)cc1OC ZINC000652359340 452539136 /nfs/dbraw/zinc/53/91/36/452539136.db2.gz GZNGHLWLIKYWEU-CQSZACIVSA-N 2 0 349.475 1.769 20 0 EDADRP Cc1cccc(CNC(=O)C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362360 452545057 /nfs/dbraw/zinc/54/50/57/452545057.db2.gz FKXWGMPILRHQCW-QRVBRYPASA-N 2 0 345.487 1.972 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NCC1([NH3+])CCCC1)CC(C)C ZINC000659685879 452560751 /nfs/dbraw/zinc/56/07/51/452560751.db2.gz VBUDLOWITRDIHS-HNNXBMFYSA-N 2 0 340.512 1.247 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@H]2COC3(CCC3)C2)c1 ZINC000657867728 452578787 /nfs/dbraw/zinc/57/87/87/452578787.db2.gz JPTVOTDMQLYDFF-QGZVFWFLSA-N 2 0 331.460 1.779 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000655851022 452610567 /nfs/dbraw/zinc/61/05/67/452610567.db2.gz HZCXNJTWTGFTJA-JKSUJKDBSA-N 2 0 326.485 1.223 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C(F)(F)F ZINC000655911949 452668274 /nfs/dbraw/zinc/66/82/74/452668274.db2.gz PIWHPVAMUNXOTI-ZDUSSCGKSA-N 2 0 345.369 1.235 20 0 EDADRP Cn1cnc(CCNc2cnc(NCCc3cn(C)cn3)cn2)c1 ZINC000663997826 452700069 /nfs/dbraw/zinc/70/00/69/452700069.db2.gz ALIBCUMGWJKCDW-UHFFFAOYSA-N 2 0 326.408 1.253 20 0 EDADRP O=S1(=O)CCCN1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000666259090 452724243 /nfs/dbraw/zinc/72/42/43/452724243.db2.gz WMWNXDVEAYIPQB-UHFFFAOYSA-N 2 0 343.537 1.799 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)NCCC1(C[NH3+])CC1 ZINC000652683375 452833228 /nfs/dbraw/zinc/83/32/28/452833228.db2.gz LYVSBOHWYJYSFP-HNNXBMFYSA-N 2 0 338.496 1.002 20 0 EDADRP CC(C)[C@@H]([NH3+])CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000648119203 452834888 /nfs/dbraw/zinc/83/48/88/452834888.db2.gz YCZDUXSAVXISQB-UONOGXRCSA-N 2 0 336.505 1.987 20 0 EDADRP CC1(C)CN(C(=O)N[C@@H]2CCC[NH+]3CCCC[C@@H]23)CC[N@@H+]1CCO ZINC000654734980 452859757 /nfs/dbraw/zinc/85/97/57/452859757.db2.gz ODNIYQFSRWSEBE-CVEARBPZSA-N 2 0 338.496 1.101 20 0 EDADRP CC[N@H+](CCCNC(=O)C(=O)N1CCC([NH3+])CC1)C1CCCCC1 ZINC000652708626 452862633 /nfs/dbraw/zinc/86/26/33/452862633.db2.gz YFHGCGRHZSXVGW-UHFFFAOYSA-N 2 0 338.496 1.097 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)CC[N@@H+]1C ZINC000664216257 452890780 /nfs/dbraw/zinc/89/07/80/452890780.db2.gz GEALTCBYQCYNQC-OAGGEKHMSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[C@H]([NH3+])c1ccccc1 ZINC000645959223 452939076 /nfs/dbraw/zinc/93/90/76/452939076.db2.gz STBVAHRGGZUNJR-NXHRZFHOSA-N 2 0 333.476 1.532 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705941 452944011 /nfs/dbraw/zinc/94/40/11/452944011.db2.gz ARKUNUBAFIHCTN-KSZLIROESA-N 2 0 331.460 1.765 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000645966681 452950771 /nfs/dbraw/zinc/95/07/71/452950771.db2.gz KRAZHCCFLBJVJR-CRAIPNDOSA-N 2 0 331.460 1.775 20 0 EDADRP O[C@H]1CC[N@H+](Cc2cccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2)C1 ZINC000656260482 452994813 /nfs/dbraw/zinc/99/48/13/452994813.db2.gz PZRDOKQBLYYILB-PMACEKPBSA-N 2 0 345.487 1.918 20 0 EDADRP CS(=O)(=O)N1CCC[C@@H](C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)C1 ZINC000662293469 453017070 /nfs/dbraw/zinc/01/70/70/453017070.db2.gz SOOHRSBKRXHUMR-DOTOQJQBSA-N 2 0 343.537 1.370 20 0 EDADRP c1cc(C[N@H+](CCN2CCOCC2)CC2CC2)c2c(c1)C[NH2+]CC2 ZINC000662315995 453032084 /nfs/dbraw/zinc/03/20/84/453032084.db2.gz TUZLYEDXWAWSRD-UHFFFAOYSA-N 2 0 329.488 1.877 20 0 EDADRP CCN(C)C(=O)CC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)[nH]n2)CC1 ZINC000662326898 453046119 /nfs/dbraw/zinc/04/61/19/453046119.db2.gz GWYANZSWPQPVBQ-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP C[N@H+](CCCCNC(=O)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000656308223 453046242 /nfs/dbraw/zinc/04/62/42/453046242.db2.gz AJSMVNAYNRNSBD-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000662338643 453055309 /nfs/dbraw/zinc/05/53/09/453055309.db2.gz NSCGUFCUKVXJGS-HUUCEWRRSA-N 2 0 332.448 1.746 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C(=O)Nc2cccc(C[NH3+])c2)([NH+](C)C)C1 ZINC000666690752 453067291 /nfs/dbraw/zinc/06/72/91/453067291.db2.gz FYWJNWLVTRVYMQ-AUUYWEPGSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)c2cc3c(s2)CC[NH2+]C3)C[C@@H](C)O1 ZINC000662368229 453078770 /nfs/dbraw/zinc/07/87/70/453078770.db2.gz NEOYAHYEOZQRHD-CHWSQXEVSA-N 2 0 337.489 1.623 20 0 EDADRP CC(C)N1CC[NH+](C2CCN(C(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC000654970494 453089613 /nfs/dbraw/zinc/08/96/13/453089613.db2.gz USTYYFJICKLZOU-KRWDZBQOSA-N 2 0 336.524 1.345 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000662386618 453096086 /nfs/dbraw/zinc/09/60/86/453096086.db2.gz LELIGWNCDCMDGA-KRWDZBQOSA-N 2 0 347.507 1.461 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+](CC3CC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000644165788 453096303 /nfs/dbraw/zinc/09/63/03/453096303.db2.gz SJIMBGLAKNVIJV-RDJZCZTQSA-N 2 0 334.508 1.987 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000662394828 453105956 /nfs/dbraw/zinc/10/59/56/453105956.db2.gz OMMVWIZPTVOIRZ-QGZVFWFLSA-N 2 0 325.412 1.771 20 0 EDADRP CC(C)C[C@H](C[NH3+])CC(=O)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000662450553 453158142 /nfs/dbraw/zinc/15/81/42/453158142.db2.gz SNCDATIGGUBSNU-ROUUACIJSA-N 2 0 338.540 1.626 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)C(=O)Nc1cccc(C[NH3+])c1)C(C)(C)C ZINC000666801382 453158341 /nfs/dbraw/zinc/15/83/41/453158341.db2.gz JURSRYNQUXMADF-OAHLLOKOSA-N 2 0 334.464 1.566 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000664537546 453177086 /nfs/dbraw/zinc/17/70/86/453177086.db2.gz OGUCXQFVBAKHRO-INIZCTEOSA-N 2 0 339.528 1.184 20 0 EDADRP c1c(CN2CC[NH2+]CC2)nnn1C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656468638 453205832 /nfs/dbraw/zinc/20/58/32/453205832.db2.gz PUKGISHBTAQNBM-SFHVURJKSA-N 2 0 340.475 1.205 20 0 EDADRP O=C(c1cnnn1C1CC[NH2+]CC1)N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000662521148 453239534 /nfs/dbraw/zinc/23/95/34/453239534.db2.gz CPQZHQWAZBQRGI-GJZGRUSLSA-N 2 0 346.479 1.054 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C[NH3+])cc3)CC2)C1 ZINC000646230454 453242101 /nfs/dbraw/zinc/24/21/01/453242101.db2.gz WQSOYRTWVHTQPK-GOSISDBHSA-N 2 0 345.491 1.067 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662528320 453248641 /nfs/dbraw/zinc/24/86/41/453248641.db2.gz YSIPQJCHFKLERB-SJLPKXTDSA-N 2 0 331.460 1.790 20 0 EDADRP CCN(C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1)[C@H]1CC[N@H+](C)C1 ZINC000666927569 453255053 /nfs/dbraw/zinc/25/50/53/453255053.db2.gz SKOGQNCWKUDNIM-HNNXBMFYSA-N 2 0 334.468 1.708 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000656540528 453264747 /nfs/dbraw/zinc/26/47/47/453264747.db2.gz KPYMKUCHAIRSQH-IRXDYDNUSA-N 3 0 341.544 1.432 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)[C@@H]([NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000662552721 453282976 /nfs/dbraw/zinc/28/29/76/453282976.db2.gz RZZFXXFKBXCNPJ-BEFAXECRSA-N 2 0 341.455 1.989 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653106972 453289715 /nfs/dbraw/zinc/28/97/15/453289715.db2.gz SBWAXVDEDYPXOF-ICSRJNTNSA-N 2 0 343.471 1.525 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCC(C)(C)[N@@H+]1CCc2ccccc2C1 ZINC000653109944 453295815 /nfs/dbraw/zinc/29/58/15/453295815.db2.gz SEUQHGKOVOIKMB-KRWDZBQOSA-N 2 0 332.492 1.219 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)[C@]23C[NH2+]C[C@H]2COC3)cc1 ZINC000653118343 453306550 /nfs/dbraw/zinc/30/65/50/453306550.db2.gz JBFKGVSXZUYPBS-KSSFIOAISA-N 2 0 333.432 1.192 20 0 EDADRP O=C(NCC1([NH+]2CCCCC2)CCOCC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653120183 453310693 /nfs/dbraw/zinc/31/06/93/453310693.db2.gz IVEBWRAGJOFFGD-IAGOWNOFSA-N 2 0 335.492 1.668 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000653124865 453318600 /nfs/dbraw/zinc/31/86/00/453318600.db2.gz JNPBVEPKHUELMU-MSOLQXFVSA-N 2 0 348.535 1.584 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)N2CCC[C@@H](C3CC[NH2+]CC3)C2)C1(C)C ZINC000662594826 453320827 /nfs/dbraw/zinc/32/08/27/453320827.db2.gz SAVDFNXACWCVPT-GPMSIDNRSA-N 2 0 337.508 1.757 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@@H](C)[NH+](CCO)[C@@H](C)C1 ZINC000651196445 453351204 /nfs/dbraw/zinc/35/12/04/453351204.db2.gz BVTSCDPHICVGHF-IYBDPMFKSA-N 2 0 328.501 1.061 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)CC1 ZINC000653184824 453375147 /nfs/dbraw/zinc/37/51/47/453375147.db2.gz SPJBJRYLQFSUDH-KSZLIROESA-N 2 0 337.508 1.852 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000667068614 453384295 /nfs/dbraw/zinc/38/42/95/453384295.db2.gz PMCBKMABQNVNEB-HNNXBMFYSA-N 2 0 332.448 1.335 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCO[C@H]1C[NH3+])c1ccsc1 ZINC000662680330 453400116 /nfs/dbraw/zinc/40/01/16/453400116.db2.gz VFTDIODMGWUJSK-ZNMIVQPWSA-N 2 0 325.478 1.611 20 0 EDADRP C[C@@H]([NH3+])CCC(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662695635 453415884 /nfs/dbraw/zinc/41/58/84/453415884.db2.gz ORMFRCOUMDPNAQ-MRXNPFEDSA-N 2 0 330.476 1.585 20 0 EDADRP O=C([C@@H]1CCC[NH+](Cc2ccccc2)C1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655298319 453419080 /nfs/dbraw/zinc/41/90/80/453419080.db2.gz FEWGLELDEUINJZ-CEXWTWQISA-N 2 0 343.471 1.176 20 0 EDADRP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667147328 453438716 /nfs/dbraw/zinc/43/87/16/453438716.db2.gz ZOPCNPRBZMATNG-CJNGLKHVSA-N 2 0 330.432 1.169 20 0 EDADRP CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)[NH+](CC)CC ZINC000653260793 453443581 /nfs/dbraw/zinc/44/35/81/453443581.db2.gz LGMBAEGIYQZWAR-HZMVEIRTSA-N 2 0 325.497 1.994 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH2+][C@@H]2CNCC[C@@H]2c2ccc(F)cc2)C1 ZINC000656790384 453447672 /nfs/dbraw/zinc/44/76/72/453447672.db2.gz ZMWXYQCGZOHDPY-BMGDILEWSA-N 2 0 348.466 1.058 20 0 EDADRP CN1CCN(Cc2ccccc2)[C@H](CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000662741131 453466805 /nfs/dbraw/zinc/46/68/05/453466805.db2.gz CSZFLPDPBNWBFG-GOSISDBHSA-N 2 0 344.503 1.438 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662748376 453478791 /nfs/dbraw/zinc/47/87/91/453478791.db2.gz RNBBSVBXYKYWPW-HOTGVXAUSA-N 2 0 348.495 1.397 20 0 EDADRP Cc1nc2ccccn2c(=O)c1CCN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660662079 453498107 /nfs/dbraw/zinc/49/81/07/453498107.db2.gz HJMXGBGUFALDMG-HXUWFJFHSA-N 2 0 340.471 1.963 20 0 EDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000662760866 453498359 /nfs/dbraw/zinc/49/83/59/453498359.db2.gz ZXOPJFJOCALMAU-WKILWMFISA-N 2 0 346.475 1.013 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000646603070 453506595 /nfs/dbraw/zinc/50/65/95/453506595.db2.gz HHYLZBVVTYTDET-GOEBONIOSA-N 2 0 343.431 1.246 20 0 EDADRP C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1)c1nccn1C ZINC000667246785 453506791 /nfs/dbraw/zinc/50/67/91/453506791.db2.gz QCOQDIKBTITJHG-GJZGRUSLSA-N 2 0 335.452 1.377 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662789099 453522776 /nfs/dbraw/zinc/52/27/76/453522776.db2.gz SEISKWZNQABPSV-GDBMZVCRSA-N 2 0 348.495 1.395 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655444455 453532640 /nfs/dbraw/zinc/53/26/40/453532640.db2.gz WZLJLVKQOFQNLC-PKOBYXMFSA-N 2 0 328.460 1.552 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000662815846 453547602 /nfs/dbraw/zinc/54/76/02/453547602.db2.gz XVAOMBUHDGFGII-BFYDXBDKSA-N 2 0 346.479 1.197 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000662834299 453560654 /nfs/dbraw/zinc/56/06/54/453560654.db2.gz ZDIATIZREWXUDZ-SJLPKXTDSA-N 2 0 331.460 1.708 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662845282 453567423 /nfs/dbraw/zinc/56/74/23/453567423.db2.gz HKARFPSVLSISLN-MJGOQNOKSA-N 2 0 327.472 1.939 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851604 453571968 /nfs/dbraw/zinc/57/19/68/453571968.db2.gz BXQZKCDBFBJXIY-KBPBESRZSA-N 2 0 334.468 1.195 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)CCC[NH3+])cc2)C1 ZINC000667359318 453576753 /nfs/dbraw/zinc/57/67/53/453576753.db2.gz JQSVYQDVMTWDTD-HNNXBMFYSA-N 2 0 346.475 1.664 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662865786 453578846 /nfs/dbraw/zinc/57/88/46/453578846.db2.gz JDZIJMDTHKAACK-VLWCASSMSA-N 2 0 335.398 1.526 20 0 EDADRP CC[NH+]1CCC(NC(=O)Nc2ccc([C@H]3C[NH2+]CCO3)cc2)CC1 ZINC000659028850 453588415 /nfs/dbraw/zinc/58/84/15/453588415.db2.gz QOXKBGODTAFQRZ-QGZVFWFLSA-N 2 0 332.448 1.953 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000659035051 453591126 /nfs/dbraw/zinc/59/11/26/453591126.db2.gz TXFMEADDQMPGLH-KRWDZBQOSA-N 2 0 332.448 1.907 20 0 EDADRP CN(C(=O)c1cc(C(C)(C)[NH3+])no1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000662901663 453596280 /nfs/dbraw/zinc/59/62/80/453596280.db2.gz YBQOEWOHRPIUPU-AWEZNQCLSA-N 2 0 349.479 1.109 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1[NH2+]CCc2ccccc21 ZINC000662916210 453601283 /nfs/dbraw/zinc/60/12/83/453601283.db2.gz WBZMJHUCJMIFTG-WMZOPIPTSA-N 2 0 329.444 1.243 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](CNC(=O)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659092710 453626448 /nfs/dbraw/zinc/62/64/48/453626448.db2.gz YMNXOXUWWILEKF-ZDUSSCGKSA-N 2 0 344.459 1.465 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665282888 453634693 /nfs/dbraw/zinc/63/46/93/453634693.db2.gz DLBAFDJXNSBASN-OJAHFUOMSA-N 2 0 346.519 1.145 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])CC1 ZINC000665289866 453637422 /nfs/dbraw/zinc/63/74/22/453637422.db2.gz ZHPCPBLVWGAANG-VQIMIIECSA-N 3 0 346.519 1.525 20 0 EDADRP COc1ccc([C@@H](C)[C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1OC ZINC000665293127 453639699 /nfs/dbraw/zinc/63/96/99/453639699.db2.gz SCLSTDFEKNNSDG-RYUDHWBXSA-N 2 0 346.431 1.940 20 0 EDADRP C[NH2+]C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000659114272 453645236 /nfs/dbraw/zinc/64/52/36/453645236.db2.gz MLIVSUJLGUAMQF-HUUCEWRRSA-N 2 0 346.475 1.581 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665361587 453667436 /nfs/dbraw/zinc/66/74/36/453667436.db2.gz SCQUWFNYSKLLBH-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000665364414 453668193 /nfs/dbraw/zinc/66/81/93/453668193.db2.gz PPPMGTBOTKKCQK-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)N1CCN([C@H]2CCOC2)CC1 ZINC000661094330 453711723 /nfs/dbraw/zinc/71/17/23/453711723.db2.gz CUUZZHRYVKAPRR-JKSUJKDBSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000659317980 453713513 /nfs/dbraw/zinc/71/35/13/453713513.db2.gz WNTWODPBHZFOTR-ROUUACIJSA-N 2 0 349.475 1.146 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)[C@@H]1CCC[NH3+] ZINC000659375819 453732406 /nfs/dbraw/zinc/73/24/06/453732406.db2.gz POBDNRIRVGVJRC-IJEWVQPXSA-N 2 0 334.468 1.182 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000661202248 453756637 /nfs/dbraw/zinc/75/66/37/453756637.db2.gz ZSSGPASBVARJAQ-RDJZCZTQSA-N 2 0 340.512 1.659 20 0 EDADRP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000661233734 453768427 /nfs/dbraw/zinc/76/84/27/453768427.db2.gz IFMIRXUYZCEWOB-CVEARBPZSA-N 2 0 327.513 1.874 20 0 EDADRP O=S(=O)(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)NCC1CCC1 ZINC000657358253 453774355 /nfs/dbraw/zinc/77/43/55/453774355.db2.gz JDUSEKCCPUOGIY-UHFFFAOYSA-N 2 0 349.460 1.076 20 0 EDADRP C[C@@H](CNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)[NH+](C)C ZINC000661276412 453780743 /nfs/dbraw/zinc/78/07/43/453780743.db2.gz YBVBXOIWTKPIEZ-HNNXBMFYSA-N 2 0 333.480 1.543 20 0 EDADRP c1ncc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)s1 ZINC000663510931 453812941 /nfs/dbraw/zinc/81/29/41/453812941.db2.gz IHAWFIOCJDNACL-CYBMUJFWSA-N 2 0 332.477 1.655 20 0 EDADRP CC(C)[N@H+](C)CCCNC(=O)C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000676088893 486662524 /nfs/dbraw/zinc/66/25/24/486662524.db2.gz AWXDJXDCGWYAHW-UHFFFAOYSA-N 2 0 344.419 1.052 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000414921768 486734257 /nfs/dbraw/zinc/73/42/57/486734257.db2.gz FUEBQTKDAHGWGQ-VXGBXAGGSA-N 2 0 341.839 1.572 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCOCC1 ZINC000416941596 486789240 /nfs/dbraw/zinc/78/92/40/486789240.db2.gz AGTAPASLFZAXQD-IKGGRYGDSA-N 2 0 340.512 1.693 20 0 EDADRP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)cc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000676876516 486915589 /nfs/dbraw/zinc/91/55/89/486915589.db2.gz CCCYNGIGAGPUDQ-IRXDYDNUSA-N 2 0 346.523 1.846 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)nc1 ZINC000667840974 486988681 /nfs/dbraw/zinc/98/86/81/486988681.db2.gz NCZREFYDBJFXBZ-ROUUACIJSA-N 2 0 345.491 1.536 20 0 EDADRP Cn1ccnc1[C@@H]1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)C1 ZINC000677362704 487055721 /nfs/dbraw/zinc/05/57/21/487055721.db2.gz INNNHTXEDHUREQ-WBVHZDCISA-N 2 0 339.443 1.796 20 0 EDADRP Cc1cn2ccc(NC(=O)N3CCN(C[C@H](C)O)C[C@H]3C)cc2n1 ZINC000668162125 487124272 /nfs/dbraw/zinc/12/42/72/487124272.db2.gz PEZCCHPOBOTUEW-KGLIPLIRSA-N 2 0 331.420 1.562 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)C(=O)N[C@@H]1CN(C)Cc2ccccc21 ZINC000671963350 487160712 /nfs/dbraw/zinc/16/07/12/487160712.db2.gz UWLDLQKVLWSNKL-QGZVFWFLSA-N 2 0 346.475 1.137 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000681788988 487168285 /nfs/dbraw/zinc/16/82/85/487168285.db2.gz NSJAAZGTJBFUGT-RTBURBONSA-N 2 0 344.503 1.798 20 0 EDADRP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCC(C(N)=O)CC2)c1)[NH+](C)C ZINC000674285896 487228780 /nfs/dbraw/zinc/22/87/80/487228780.db2.gz IMZAWWLOFCLKCT-ZDUSSCGKSA-N 2 0 332.448 1.273 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000674327155 487237529 /nfs/dbraw/zinc/23/75/29/487237529.db2.gz RRNNBZNXFNFQBN-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682110024 487304516 /nfs/dbraw/zinc/30/45/16/487304516.db2.gz YXQPDEKYIROHAI-UHFFFAOYSA-N 2 0 348.491 1.711 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N(C)CCCC[NH+](C)C ZINC000682282924 487336805 /nfs/dbraw/zinc/33/68/05/487336805.db2.gz VJRRNJGSHTYDOE-UHFFFAOYSA-N 2 0 348.491 1.795 20 0 EDADRP C[NH+](C)[C@H](CNc1nccnc1NC[C@H](C1CC1)[NH+](C)C)C1CC1 ZINC000679390605 487420813 /nfs/dbraw/zinc/42/08/13/487420813.db2.gz DHXUDFPTCCFOGR-HZPDHXFCSA-N 2 0 332.496 1.981 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000676048831 487468673 /nfs/dbraw/zinc/46/86/73/487468673.db2.gz VQLLQTPMPHSGIU-BBWFWOEESA-N 2 0 338.496 1.148 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000669528967 485503747 /nfs/dbraw/zinc/50/37/47/485503747.db2.gz XXXVWUUDBVBCSQ-VIBAHUMZSA-N 2 0 328.460 1.524 20 0 EDADRP C[NH2+]CCNC(=O)N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000669557173 485559892 /nfs/dbraw/zinc/55/98/92/485559892.db2.gz WSJZDXGUOZZOCZ-KZNAEPCWSA-N 2 0 330.476 1.806 20 0 EDADRP COc1cccc([C@@H](OC)C(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000668302197 485581466 /nfs/dbraw/zinc/58/14/66/485581466.db2.gz BEZWTJAJLSJBKY-QGZVFWFLSA-N 2 0 337.464 1.335 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC3(CC[NH2+]C3)CC2)CCCO1 ZINC000669570863 485592461 /nfs/dbraw/zinc/59/24/61/485592461.db2.gz BKEJVJGBXCIWRE-INIZCTEOSA-N 2 0 338.496 1.272 20 0 EDADRP C[C@@H]([NH3+])CNC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000669347619 485995598 /nfs/dbraw/zinc/99/55/98/485995598.db2.gz WJTYJILAHLLAJW-WBVHZDCISA-N 2 0 333.480 1.012 20 0 EDADRP O=C(CC[NH+]1CCN(c2ccccc2)CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000238025271 486025160 /nfs/dbraw/zinc/02/51/60/486025160.db2.gz VZFNLNDUSRKWHY-KRWDZBQOSA-N 2 0 330.476 1.457 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669426352 486148299 /nfs/dbraw/zinc/14/82/99/486148299.db2.gz UISDLYRVPAKRMW-MRXNPFEDSA-N 2 0 334.464 1.568 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000672687445 486165829 /nfs/dbraw/zinc/16/58/29/486165829.db2.gz OWVZIKYPNTVKFT-GOEBONIOSA-N 2 0 334.468 1.535 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)N[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000669484227 486250354 /nfs/dbraw/zinc/25/03/54/486250354.db2.gz KTEXSGLQCHJRIS-YQQAZPJKSA-N 2 0 337.512 1.066 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)CCO1 ZINC000669485322 486252163 /nfs/dbraw/zinc/25/21/63/486252163.db2.gz VYFZBQHVBQYURB-MLGOLLRUSA-N 2 0 338.427 1.145 20 0 EDADRP COc1ccccc1[C@@H]([NH3+])CNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000669508588 486291940 /nfs/dbraw/zinc/29/19/40/486291940.db2.gz AYWWPXFDAFNRHQ-INIZCTEOSA-N 2 0 342.443 1.851 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000669428473 491188603 /nfs/dbraw/zinc/18/86/03/491188603.db2.gz MQJXKRMDJCWRBA-OAHLLOKOSA-N 2 0 336.505 1.950 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000166605787 533740597 /nfs/dbraw/zinc/74/05/97/533740597.db2.gz CZRFDLQWWAAHSQ-ROUUACIJSA-N 2 0 338.540 1.913 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188699685 520760529 /nfs/dbraw/zinc/76/05/29/520760529.db2.gz ZYHLRNJZCPLUNF-UHFFFAOYSA-N 2 0 341.459 1.827 20 0 EDADRP CC1CC[NH+](CCCNC(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000173952003 528240305 /nfs/dbraw/zinc/24/03/05/528240305.db2.gz LCYWFMVNWWOVOA-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CC[NH+](CC(C)(C)O)C[C@H]2C)C1 ZINC000249173121 534940346 /nfs/dbraw/zinc/94/03/46/534940346.db2.gz XVKZLNOLWGFSKN-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1CO ZINC000270903696 535002231 /nfs/dbraw/zinc/00/22/31/535002231.db2.gz ROBPLHCEUZJDFR-ROUUACIJSA-N 2 0 333.476 1.326 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000339614662 535062750 /nfs/dbraw/zinc/06/27/50/535062750.db2.gz WSSBWBKXGMLQHJ-UHFFFAOYSA-N 2 0 328.501 1.020 20 0 EDADRP CC(C)[NH+]1CCC[C@H](CNC(=O)N2CC[N@@H+](C[C@H](C)O)C[C@@H]2C)C1 ZINC000352827105 535170883 /nfs/dbraw/zinc/17/08/83/535170883.db2.gz MAPNQXJRRPJUDL-YESZJQIVSA-N 2 0 340.512 1.203 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000340042995 535562998 /nfs/dbraw/zinc/56/29/98/535562998.db2.gz KKZWBORFTUZLOS-HZPDHXFCSA-N 2 0 333.542 1.616 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Cc1cccc(O)c1 ZINC000263708575 535594291 /nfs/dbraw/zinc/59/42/91/535594291.db2.gz QBOMDMOYDSMVGW-KRWDZBQOSA-N 2 0 333.476 1.809 20 0 EDADRP CC[N@H+](CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000270810304 535773164 /nfs/dbraw/zinc/77/31/64/535773164.db2.gz GWFXXNWPFLHCJA-IEBWSBKVSA-N 2 0 345.487 1.470 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)c1csc(CC[NH3+])n1 ZINC000194831937 535914822 /nfs/dbraw/zinc/91/48/22/535914822.db2.gz PHROQLICKMFOKH-UHFFFAOYSA-N 2 0 348.472 1.515 20 0 EDADRP C[NH+](C)C[C@@H](Cc1ccccc1)NC(=O)c1csc(CC[NH3+])n1 ZINC000194830050 535939681 /nfs/dbraw/zinc/93/96/81/535939681.db2.gz UTRRQUBVLQXCHA-CQSZACIVSA-N 2 0 332.473 1.547 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821111 536324688 /nfs/dbraw/zinc/32/46/88/536324688.db2.gz DREUXGCMQVGPQF-CQSZACIVSA-N 2 0 347.463 1.464 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)CC1 ZINC000237166283 536342343 /nfs/dbraw/zinc/34/23/43/536342343.db2.gz NRLOIZSQLQZUJY-MRXNPFEDSA-N 2 0 345.447 1.593 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@]3([NH3+])[C@@H]4CCCO[C@H]4C3(C)C)CC[C@H]21 ZINC000261607856 536378886 /nfs/dbraw/zinc/37/88/86/536378886.db2.gz CZZGCONZUCXYPE-DINLJIAVSA-N 2 0 335.492 1.462 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC3([NH3+])CCCCC3)c2)CC1 ZINC000237218004 536416764 /nfs/dbraw/zinc/41/67/64/536416764.db2.gz YLRBQNGWWOQLAC-UHFFFAOYSA-N 2 0 344.503 1.825 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(Cn2cnc3c2ncnc3NC(C)C)C1 ZINC000743397879 579478882 /nfs/dbraw/zinc/47/88/82/579478882.db2.gz BUUYKBVKUDHQOQ-AWEZNQCLSA-N 2 0 331.468 1.878 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000729618159 578584775 /nfs/dbraw/zinc/58/47/75/578584775.db2.gz HKISIHGUYPRNNN-GVDBMIGSSA-N 2 0 336.480 1.119 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734264947 578805464 /nfs/dbraw/zinc/80/54/64/578805464.db2.gz OGTMNEFBTFRATN-INIZCTEOSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000734285550 578806903 /nfs/dbraw/zinc/80/69/03/578806903.db2.gz MQDHWVHCSJZTDR-KRWDZBQOSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000736571027 579001076 /nfs/dbraw/zinc/00/10/76/579001076.db2.gz RHLYTNIPDCEKOG-OAHLLOKOSA-N 2 0 343.479 1.230 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000748982728 579709306 /nfs/dbraw/zinc/70/93/06/579709306.db2.gz LJLOGAVSNOHFPD-OAHLLOKOSA-N 2 0 346.475 1.596 20 0 EDADRP C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC(C)(C)N2CC[NH+](C)CC2)C1 ZINC000749546247 579730003 /nfs/dbraw/zinc/73/00/03/579730003.db2.gz BKVKEKWYJVRUIV-HOTGVXAUSA-N 2 0 339.528 1.184 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000749565988 579730778 /nfs/dbraw/zinc/73/07/78/579730778.db2.gz UWLAIJMMHBXWRI-IAGOWNOFSA-N 2 0 338.496 1.225 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)COc1cc(C)on1 ZINC000750735144 579779004 /nfs/dbraw/zinc/77/90/04/579779004.db2.gz UCQZGPUDBSEPTB-HNNXBMFYSA-N 2 0 338.452 1.236 20 0 EDADRP C[C@@H]([NH2+]Cc1cccc(NS(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000764767510 580128341 /nfs/dbraw/zinc/12/83/41/580128341.db2.gz IYSGAXOOPIDWFD-CYBMUJFWSA-N 2 0 325.478 1.878 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)Nc3ccccc3N3CC[NH+](C)CC3)C[C@H]2C1 ZINC000783641953 580603190 /nfs/dbraw/zinc/60/31/90/580603190.db2.gz LPUBBFKBJNGTNJ-IYBDPMFKSA-N 2 0 343.475 1.464 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)OC(=O)[C@H](C(C)C)N2CCCC2)CC1 ZINC000783777163 580606051 /nfs/dbraw/zinc/60/60/51/580606051.db2.gz OGZGIKQPYFSBCY-CVEARBPZSA-N 2 0 339.480 1.203 20 0 EDADRP CC(=O)Nc1ccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1C ZINC000784421627 580620679 /nfs/dbraw/zinc/62/06/79/580620679.db2.gz OGGHQKNQOJJRSJ-UHFFFAOYSA-N 2 0 349.479 1.911 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)NCc2ccccn2)[C@@H](C)C1 ZINC000787303932 580692268 /nfs/dbraw/zinc/69/22/68/580692268.db2.gz NFOZDYSFDWNTJW-FUHWJXTLSA-N 2 0 348.491 1.424 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=S)NCCC[NH+](C)C)cc1 ZINC000789395297 580744443 /nfs/dbraw/zinc/74/44/43/580744443.db2.gz PHHOFGUYKDXZEA-MRXNPFEDSA-N 2 0 338.521 1.714 20 0 EDADRP CON(C)C(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000796445445 580954049 /nfs/dbraw/zinc/95/40/49/580954049.db2.gz UVRDYQWRHITDLZ-IBGZPJMESA-N 2 0 331.460 1.994 20 0 EDADRP C[NH+](C)CCNC(=S)NC[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000798372811 580995598 /nfs/dbraw/zinc/99/55/98/580995598.db2.gz NZPMBTPYIJRZAK-GOSISDBHSA-N 2 0 334.533 1.924 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCCCCCCC[NH+](C)C)[C@H](C)C1 ZINC000806541246 590636445 /nfs/dbraw/zinc/63/64/45/590636445.db2.gz HUYRDXFRRXXBAS-SJORKVTESA-N 2 0 342.528 1.595 20 0 EDADRP CSC1(CNC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)CC[NH+](C)CC1 ZINC000891904989 590681458 /nfs/dbraw/zinc/68/14/58/590681458.db2.gz DTPBBAGGJWPVSF-AWEZNQCLSA-N 2 0 342.553 1.891 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000891957132 590706866 /nfs/dbraw/zinc/70/68/66/590706866.db2.gz UIYXBCVBJLNUQL-CVEARBPZSA-N 2 0 338.496 1.176 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)NCCC[NH2+]C2CC2)cc1 ZINC000891967621 590714219 /nfs/dbraw/zinc/71/42/19/590714219.db2.gz GPLJTRMXHPFYPP-KRWDZBQOSA-N 2 0 332.448 1.493 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000892025718 590756273 /nfs/dbraw/zinc/75/62/73/590756273.db2.gz ZGPLLYSQLMACOC-ZTFGCOKTSA-N 2 0 330.476 1.791 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892150614 590823521 /nfs/dbraw/zinc/82/35/21/590823521.db2.gz PXYDGIGQHSBVAD-BGTYHANMSA-N 2 0 346.450 1.665 20 0 EDADRP C[C@@H]1C[N@H+](CCCOC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)CCO1 ZINC000893387024 590825906 /nfs/dbraw/zinc/82/59/06/590825906.db2.gz YTUFNTSSRLCFLG-PBHICJAKSA-N 2 0 330.444 1.853 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)CC1 ZINC000893398075 590842829 /nfs/dbraw/zinc/84/28/29/590842829.db2.gz HNSQUTJWOPPBPT-WBVHZDCISA-N 2 0 338.496 1.221 20 0 EDADRP Nc1cc[nH+]c(CNC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)c1 ZINC000892255470 590889540 /nfs/dbraw/zinc/88/95/40/590889540.db2.gz JGVWCUBCWJAKNW-IAGOWNOFSA-N 2 0 343.406 1.748 20 0 EDADRP CC1(C)OC[C@H](C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)O1 ZINC000893488338 590904747 /nfs/dbraw/zinc/90/47/47/590904747.db2.gz SSBJQKLIQJJNPC-ROUUACIJSA-N 2 0 334.460 1.884 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)NCC2([NH3+])CCOCC2)CC1 ZINC000892279113 590908939 /nfs/dbraw/zinc/90/89/39/590908939.db2.gz OFCBJOIISLKUOY-UHFFFAOYSA-N 2 0 338.496 1.544 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000892296604 590921619 /nfs/dbraw/zinc/92/16/19/590921619.db2.gz XTTZYOYLTLYGFI-LXZKKBNFSA-N 2 0 332.448 1.492 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCc3cccc4c3CC[NH2+]C4)CC[C@H]21 ZINC000892324322 590945786 /nfs/dbraw/zinc/94/57/86/590945786.db2.gz RUQLIVYJGPSMAT-SJLPKXTDSA-N 2 0 328.460 1.568 20 0 EDADRP [NH3+][C@@H](CCNC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)Cc1ccccc1 ZINC000892407664 591014984 /nfs/dbraw/zinc/01/49/84/591014984.db2.gz BVWMQABREAODSA-ZWKOTPCHSA-N 2 0 348.491 1.093 20 0 EDADRP CC1(C)C[NH2+]CC[C@H](NC(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000892477497 591041024 /nfs/dbraw/zinc/04/10/24/591041024.db2.gz CSWYQUIEQLPWPW-GJZGRUSLSA-N 2 0 338.496 1.223 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000892496355 591049326 /nfs/dbraw/zinc/04/93/26/591049326.db2.gz XYUSBMOPCQKZHN-JKSUJKDBSA-N 2 0 338.496 1.128 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000892497571 591049968 /nfs/dbraw/zinc/04/99/68/591049968.db2.gz SGALWWCJHWZZIW-INIZCTEOSA-N 2 0 342.528 1.764 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC2CCC(C)([NH+](C)C)CC2)CC1 ZINC000892533402 591062890 /nfs/dbraw/zinc/06/28/90/591062890.db2.gz VABYQISJNSXJCK-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C)CC[NH+](C)C)c1 ZINC000891450480 591076560 /nfs/dbraw/zinc/07/65/60/591076560.db2.gz IDCDEJZKLPUBHP-PBHICJAKSA-N 2 0 334.464 1.691 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)NC[C@H]3C[C@H]([NH3+])C3)CC2)cc1 ZINC000892582296 591080345 /nfs/dbraw/zinc/08/03/45/591080345.db2.gz BZTIHVLFPKVSHR-QAQDUYKDSA-N 2 0 346.475 1.650 20 0 EDADRP CC1(C)CN(CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)CCO1 ZINC000891472523 591082863 /nfs/dbraw/zinc/08/28/63/591082863.db2.gz NEPFKWXEHVTGGK-KRWDZBQOSA-N 2 0 348.491 1.357 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000891480860 591086608 /nfs/dbraw/zinc/08/66/08/591086608.db2.gz ZUWKIAXVTKPWOF-SFHVURJKSA-N 2 0 330.476 1.732 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000891508535 591098366 /nfs/dbraw/zinc/09/83/66/591098366.db2.gz NNVAQMYRCZKFIG-OKZBNKHCSA-N 2 0 330.476 1.588 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)NCCC(C)(C)[NH3+])cc1 ZINC000891508035 591098774 /nfs/dbraw/zinc/09/87/74/591098774.db2.gz LYOUZVARMTZIFJ-UHFFFAOYSA-N 2 0 336.480 1.944 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]3[C@H]2CCC[N@@H+]3CCO)CCCC1 ZINC000891510386 591099302 /nfs/dbraw/zinc/09/93/02/591099302.db2.gz VTGQHACGEQYKNY-JKSUJKDBSA-N 2 0 338.496 1.101 20 0 EDADRP C[N@H+](CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1)C1CCCC1 ZINC000891516431 591103128 /nfs/dbraw/zinc/10/31/28/591103128.db2.gz GRHHEHKQUHRUKD-WCQYABFASA-N 2 0 336.402 1.639 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCCCC[C@@H]([NH3+])C2)CC1 ZINC000891528737 591108294 /nfs/dbraw/zinc/10/82/94/591108294.db2.gz JZDJOGRZOKJRNG-OAHLLOKOSA-N 2 0 340.512 1.789 20 0 EDADRP CC[C@@H](CO)Nc1cc(NC[C@@H]2C[N@H+](CC(C)C)CCO2)ncn1 ZINC000891571738 591130795 /nfs/dbraw/zinc/13/07/95/591130795.db2.gz DBDYZLJLXIQJEN-LSDHHAIUSA-N 2 0 337.468 1.428 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCC[NH+]2CCC(O)CC2)CCCCCC1 ZINC000891589980 591138384 /nfs/dbraw/zinc/13/83/84/591138384.db2.gz WRRPYSANMZFFHT-UHFFFAOYSA-N 2 0 340.512 1.397 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1CCN(C)CC[N@H+](C)CC1 ZINC000892735377 591153372 /nfs/dbraw/zinc/15/33/72/591153372.db2.gz HGEKVUCRSGCVFX-UHFFFAOYSA-N 2 0 341.544 1.387 20 0 EDADRP CN(CC1CC[NH+](C)CC1)C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892776076 591171304 /nfs/dbraw/zinc/17/13/04/591171304.db2.gz ABYKNRCUCXJKBS-MRXNPFEDSA-N 2 0 338.496 1.128 20 0 EDADRP CC(C)[NH2+]C1CCN(C(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000892777260 591171866 /nfs/dbraw/zinc/17/18/66/591171866.db2.gz RUUJUKXSAJMAMF-MRXNPFEDSA-N 2 0 338.496 1.317 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892781685 591173987 /nfs/dbraw/zinc/17/39/87/591173987.db2.gz ZSQNXXVVOKNEDU-HZPDHXFCSA-N 2 0 338.496 1.127 20 0 EDADRP CN(CC(C)(C)C[NH+](C)C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000892817147 591190786 /nfs/dbraw/zinc/19/07/86/591190786.db2.gz AGPCDXOKQMZHQP-LSDHHAIUSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H]([NH3+])C[C@@H]2C)CC1 ZINC000891703851 591193112 /nfs/dbraw/zinc/19/31/12/591193112.db2.gz IYJWKWMRICTZOU-SQWLQELKSA-N 2 0 331.464 1.738 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCc2cc(N)cc[nH+]2)[C@H]1c1ccccc1 ZINC000891723669 591198955 /nfs/dbraw/zinc/19/89/55/591198955.db2.gz SWENUASXCDQUNJ-DLBZAZTESA-N 2 0 325.416 1.908 20 0 EDADRP C[NH+]1CCN(C(C)(C)CNC(=O)NCC[N@@H+]2CCC(C)(C)C2)CC1 ZINC000891747633 591208508 /nfs/dbraw/zinc/20/85/08/591208508.db2.gz JOMZNOREFJDJRT-UHFFFAOYSA-N 2 0 339.528 1.044 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N3CCc4sc(C[NH3+])nc4C3)CC[C@H]21 ZINC000892878416 591211849 /nfs/dbraw/zinc/21/18/49/591211849.db2.gz SQMCMSODQGBCPG-DGCLKSJQSA-N 2 0 335.477 1.106 20 0 EDADRP C[C@H](NC(=O)NCC[C@H]([NH3+])Cc1ccccc1)C1=CC[N@H+](C)CC1 ZINC000891764488 591215606 /nfs/dbraw/zinc/21/56/06/591215606.db2.gz FHHNSZWJZNCHMZ-YJBOKZPZSA-N 2 0 330.476 1.896 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000891764080 591215976 /nfs/dbraw/zinc/21/59/76/591215976.db2.gz ACLUUUUUWCIYDJ-IUVQAAGXSA-N 2 0 334.508 1.890 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCN1CCN(c2ccccc2)CC1 ZINC000895671484 591248292 /nfs/dbraw/zinc/24/82/92/591248292.db2.gz VIKMQXVAWCVQJP-GOSISDBHSA-N 2 0 344.503 1.798 20 0 EDADRP C[NH+]1CC[C@H]1CNc1nc2ncccc2nc1NC[C@@H]1CC[N@H+]1C ZINC000895771101 591269361 /nfs/dbraw/zinc/26/93/61/591269361.db2.gz GNOZRRNGJOTGMQ-STQMWFEESA-N 2 0 327.436 1.257 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@@H](C)[NH2+]CC2CC[NH+](C)CC2)s1 ZINC000894438076 591312072 /nfs/dbraw/zinc/31/20/72/591312072.db2.gz AESFIWNHFMZYQU-VXGBXAGGSA-N 2 0 339.509 1.995 20 0 EDADRP Cn1ncc(C[NH+]2CCC(C[NH+]3CCN(C)CC3)CC2)c1C1CC1 ZINC000894458765 591316902 /nfs/dbraw/zinc/31/69/02/591316902.db2.gz ZMZOENBEDSYUPI-UHFFFAOYSA-N 2 0 331.508 1.757 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)c1ccccc1 ZINC000896149228 591364129 /nfs/dbraw/zinc/36/41/29/591364129.db2.gz SCNGMGCOTKGHGC-MAUKXSAKSA-N 2 0 345.487 1.953 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000897442782 591454196 /nfs/dbraw/zinc/45/41/96/591454196.db2.gz IYQLETIDVBRJOF-RYRKJORJSA-N 2 0 334.508 1.987 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCN3CCSC[C@@H]23)CC1 ZINC000896427926 591464139 /nfs/dbraw/zinc/46/41/39/591464139.db2.gz ISIXYMZKJPMSHI-CVEARBPZSA-N 2 0 327.538 1.391 20 0 EDADRP Cc1cc(N(C)CC(=O)N2CCN(C)CC2)nc(-c2ccncc2)n1 ZINC000894956156 591491145 /nfs/dbraw/zinc/49/11/45/591491145.db2.gz UXSLXIRPBCMQBQ-UHFFFAOYSA-N 2 0 340.431 1.057 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCC(O)(CNC(=O)OC(C)(C)C)CC2)CC1 ZINC000894957391 591491850 /nfs/dbraw/zinc/49/18/50/591491850.db2.gz GZKZOKBUTVLMCB-UHFFFAOYSA-N 2 0 341.496 1.680 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000897546039 591545244 /nfs/dbraw/zinc/54/52/44/591545244.db2.gz WGRJUKDMDSWIEV-QGZVFWFLSA-N 2 0 347.507 1.887 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000896607936 591551181 /nfs/dbraw/zinc/55/11/81/591551181.db2.gz BLKXULIQFHJWCG-ARFHVFGLSA-N 2 0 342.553 1.842 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H](c1ccncc1)C1CC1 ZINC000899015809 591635999 /nfs/dbraw/zinc/63/59/99/591635999.db2.gz VSURSESMUNHBNY-KRWDZBQOSA-N 2 0 333.480 1.668 20 0 EDADRP CC(C)(C)OC(=O)N1CC(O)(C[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000895206874 591656313 /nfs/dbraw/zinc/65/63/13/591656313.db2.gz NOQGYVJRNAINTP-UHFFFAOYSA-N 2 0 325.453 1.185 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C3C[NH+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000899174809 591718881 /nfs/dbraw/zinc/71/88/81/591718881.db2.gz ZTHNBHKKSSVSDT-RTBURBONSA-N 2 0 343.471 1.406 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(-n4ccnc4)cc3)C2)nc[nH]1 ZINC000898158815 591807714 /nfs/dbraw/zinc/80/77/14/591807714.db2.gz FXTXOOAQQKRKFT-HNNXBMFYSA-N 2 0 336.399 1.736 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000899961607 591839851 /nfs/dbraw/zinc/83/98/51/591839851.db2.gz UOMIKVGTHJBODU-MRXNPFEDSA-N 2 0 345.447 1.605 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000900013686 591872310 /nfs/dbraw/zinc/87/23/10/591872310.db2.gz OAIZEDCJICOIST-UYAOXDASSA-N 2 0 345.487 1.787 20 0 EDADRP CCOC(=O)N1C[C@H](CO)[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000898353252 591885442 /nfs/dbraw/zinc/88/54/42/591885442.db2.gz DFVOMYGAZHIGDI-RHSMWYFYSA-N 2 0 348.447 1.089 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000900187612 591933798 /nfs/dbraw/zinc/93/37/98/591933798.db2.gz MSJXIVTZKXXITP-AZUAARDMSA-N 2 0 345.487 1.265 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197364 591942875 /nfs/dbraw/zinc/94/28/75/591942875.db2.gz WALADONNCPHWJP-UWGWQUPMSA-N 2 0 343.471 1.557 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)C[C@]2(O)CCC[N@H+](C)C2)cc1 ZINC000900260406 591964020 /nfs/dbraw/zinc/96/40/20/591964020.db2.gz FNNPEESBBGFGAE-GOSISDBHSA-N 2 0 335.448 1.412 20 0 EDADRP C[C@H](CN1CCN(c2ccccn2)CC1)[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000902331953 591980218 /nfs/dbraw/zinc/98/02/18/591980218.db2.gz XCWWAWPDLWIHOL-QZTJIDSGSA-N 2 0 345.535 1.960 20 0 EDADRP C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCCCCC[NH+]1CCCC1 ZINC000900352791 591992948 /nfs/dbraw/zinc/99/29/48/591992948.db2.gz LHOIDWZBRSQZLO-SJLPKXTDSA-N 2 0 325.497 1.604 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cnn(CCF)c2)CC[NH2+]CC1 ZINC000902442233 591996587 /nfs/dbraw/zinc/99/65/87/591996587.db2.gz AJEYICUHHZQUCJ-CYBMUJFWSA-N 2 0 326.416 1.264 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2cc(=O)[nH]cn2)C1 ZINC000902499395 592002805 /nfs/dbraw/zinc/00/28/05/592002805.db2.gz JOZYMTBZAKEYGZ-IMJJTQAJSA-N 2 0 327.432 1.309 20 0 EDADRP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(NS(=O)(=O)C3CC3)c2)C12CCC2 ZINC000902514830 592008695 /nfs/dbraw/zinc/00/86/95/592008695.db2.gz QXPPAPLVJACMNN-HZPDHXFCSA-N 2 0 335.473 1.950 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2CCCC[C@@H]2C2(C[NH3+])CCC2)[nH+]1 ZINC000900421047 592014105 /nfs/dbraw/zinc/01/41/05/592014105.db2.gz CPSVZIOAIOPUST-CYBMUJFWSA-N 2 0 327.436 1.732 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000900439729 592019263 /nfs/dbraw/zinc/01/92/63/592019263.db2.gz SJOZRMBIWDXGCK-OALUTQOASA-N 2 0 349.519 1.964 20 0 EDADRP [NH3+]C[C@]12CC[C@@H]1CCN2c1cc(N2CC[C@@H]3CC[C@@]32C[NH3+])ncn1 ZINC000900445941 592029216 /nfs/dbraw/zinc/02/92/16/592029216.db2.gz OLUWNXJGJKUBMD-LTCOOKNTSA-N 2 0 328.464 1.112 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000900571432 592055242 /nfs/dbraw/zinc/05/52/42/592055242.db2.gz PTQUZZCBNZZDLV-SFHVURJKSA-N 2 0 334.512 1.725 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cn(C)nn1 ZINC000902795453 592064931 /nfs/dbraw/zinc/06/49/31/592064931.db2.gz GIFMOVUAFGSJCW-HNAYVOBHSA-N 2 0 343.475 1.911 20 0 EDADRP O=C(C1CCC([NH+]2CCOCC2)CC1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000900627299 592075986 /nfs/dbraw/zinc/07/59/86/592075986.db2.gz ZFWSWKYKPFJTCS-ACBHZAAOSA-N 2 0 349.519 1.964 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@]2(O)CCC[NH+](C)C2)C1 ZINC000900656317 592082324 /nfs/dbraw/zinc/08/23/24/592082324.db2.gz JGDCCNSEWRNDCA-QFBILLFUSA-N 2 0 339.524 1.850 20 0 EDADRP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903170672 592133375 /nfs/dbraw/zinc/13/33/75/592133375.db2.gz ANTVXFCZJXJRJO-QZTJIDSGSA-N 2 0 335.448 1.450 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000900824408 592138233 /nfs/dbraw/zinc/13/82/33/592138233.db2.gz LHDHHNUPWWVXMY-QZTJIDSGSA-N 2 0 338.540 1.734 20 0 EDADRP CN1CCC(CNC(=O)C23CC[NH+](CC2)C3)([NH+]2CCCCC2)CC1 ZINC000900858277 592149065 /nfs/dbraw/zinc/14/90/65/592149065.db2.gz PTQLZWUBQSVLQN-UHFFFAOYSA-N 2 0 334.508 1.149 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)C12CC[NH+](CC1)C2 ZINC000900903963 592166645 /nfs/dbraw/zinc/16/66/45/592166645.db2.gz MYRBTSSDOLUFRQ-UHFFFAOYSA-N 2 0 343.471 1.355 20 0 EDADRP COC[C@H](C[N@@H+]1CC[C@H]2[C@@H](C1)NC(=O)N2C1CC[NH2+]CC1)C(C)C ZINC000903460100 592171578 /nfs/dbraw/zinc/17/15/78/592171578.db2.gz XCRWXJHKFQEGDA-UAGQMJEPSA-N 2 0 338.496 1.125 20 0 EDADRP FC(F)(F)[C@H]1CC[C@@H](C[N@@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)O1 ZINC000903460133 592171831 /nfs/dbraw/zinc/17/18/31/592171831.db2.gz XVZOHTIVNNQBFQ-RFQIPJPRSA-N 2 0 334.382 1.797 20 0 EDADRP CC[C@H]1C[N@H+](CCOCCN2C(=O)c3ccccc3C2=O)CC[C@H]1[NH3+] ZINC000903450292 592173450 /nfs/dbraw/zinc/17/34/50/592173450.db2.gz SREURTFBLAGDTM-WMLDXEAASA-N 2 0 345.443 1.358 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1ncccc1C(F)(F)F)C2 ZINC000903493904 592186291 /nfs/dbraw/zinc/18/62/91/592186291.db2.gz ZVBXCZARJMVETH-RWSFTLGLSA-N 2 0 343.349 1.813 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)c1ccnn1CC[NH+](C)C ZINC000901011552 592195166 /nfs/dbraw/zinc/19/51/66/592195166.db2.gz BLUCKUYNEAKGTI-UHFFFAOYSA-N 2 0 333.436 1.242 20 0 EDADRP CC(C)(C)[N@@H+]1CCCN(C(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906648058 592233185 /nfs/dbraw/zinc/23/31/85/592233185.db2.gz DGSXHVVRYLVPBE-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000904361025 592237997 /nfs/dbraw/zinc/23/79/97/592237997.db2.gz SQRPNDZGNWHOPA-OAHLLOKOSA-N 2 0 347.463 1.501 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906657421 592238905 /nfs/dbraw/zinc/23/89/05/592238905.db2.gz YQRMVIFEPGCRNZ-HNNXBMFYSA-N 2 0 344.459 1.274 20 0 EDADRP Cc1cc(NC(=O)N[C@@H]2C[C@H]3CC[C@@H]2[NH2+]3)n(C2CC[NH+](C)CC2)n1 ZINC000904367034 592239345 /nfs/dbraw/zinc/23/93/45/592239345.db2.gz UPVAXPLEAIRYQE-VHDGCEQUSA-N 2 0 332.452 1.473 20 0 EDADRP COc1ccccc1CC(=O)N1CCC([NH2+]C2CC(C[NH3+])C2)CC1 ZINC000904366603 592241810 /nfs/dbraw/zinc/24/18/10/592241810.db2.gz MQPQGJYMGUDDSQ-UHFFFAOYSA-N 2 0 331.460 1.556 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CNc1ccc2c(c1)OCC[NH2+]C2 ZINC000904380782 592246072 /nfs/dbraw/zinc/24/60/72/592246072.db2.gz GOMAZRNQZWIRHR-UHFFFAOYSA-N 2 0 328.416 1.783 20 0 EDADRP CCNC(=O)COc1ccc(C[N@@H+]2CC[C@H](CC[NH3+])C2)cc1OC ZINC000904405082 592250647 /nfs/dbraw/zinc/25/06/47/592250647.db2.gz IVSMNQYZVCTYOR-AWEZNQCLSA-N 2 0 335.448 1.381 20 0 EDADRP Ic1ccccc1CN1CC[NH2+]CC[NH2+]CC1 ZINC000904397293 592252286 /nfs/dbraw/zinc/25/22/86/592252286.db2.gz CRBAPTAUWKIJFR-UHFFFAOYSA-N 2 0 345.228 1.286 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906679867 592260773 /nfs/dbraw/zinc/26/07/73/592260773.db2.gz NCHYIGLNKIQJEN-OAHLLOKOSA-N 2 0 332.448 1.372 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NC[C@@H]3CCCCC[NH2+]3)n2)CC1 ZINC000904456502 592264793 /nfs/dbraw/zinc/26/47/93/592264793.db2.gz FFLALGGPLZFBMZ-AWEZNQCLSA-N 2 0 334.468 1.804 20 0 EDADRP c1csc(C[C@H]2CCN(Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000904468427 592267574 /nfs/dbraw/zinc/26/75/74/592267574.db2.gz CKFSCCFREKDROU-ZIAGYGMSSA-N 2 0 332.477 1.724 20 0 EDADRP CNC(=O)c1ccc(C[N@H+](C)C[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000903718604 592280922 /nfs/dbraw/zinc/28/09/22/592280922.db2.gz PLDAUWJYMKPWTC-QGZVFWFLSA-N 2 0 331.460 1.637 20 0 EDADRP CCCNC(=O)C1([NH2+]C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCCCC1 ZINC000903733094 592281637 /nfs/dbraw/zinc/28/16/37/592281637.db2.gz JPUGOJGBHFGZAW-INIZCTEOSA-N 2 0 337.508 1.964 20 0 EDADRP C[N@H+](CCO)C1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000904586654 592287908 /nfs/dbraw/zinc/28/79/08/592287908.db2.gz DMETXPJLUUWSEO-UHFFFAOYSA-N 2 0 334.464 1.801 20 0 EDADRP Oc1cccc(CN2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)c1 ZINC000903736237 592299118 /nfs/dbraw/zinc/29/91/18/592299118.db2.gz IOZWHDAOEQAAGQ-LJQANCHMSA-N 2 0 345.487 1.669 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000906736291 592302518 /nfs/dbraw/zinc/30/25/18/592302518.db2.gz TWSPDTJJYBNHBG-INIZCTEOSA-N 2 0 346.475 1.644 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903793058 592315649 /nfs/dbraw/zinc/31/56/49/592315649.db2.gz LRBRFMURQVPQNC-FUHWJXTLSA-N 2 0 336.476 1.391 20 0 EDADRP C[NH+](C)CCOc1cccc(-c2cnc3c(c2)C[C@@H]([NH3+])C(=O)N3)c1 ZINC000904753752 592315810 /nfs/dbraw/zinc/31/58/10/592315810.db2.gz ZCDJBWFBBMLXAF-MRXNPFEDSA-N 2 0 326.400 1.511 20 0 EDADRP C(C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1)OC1CCSCC1 ZINC000903775576 592318217 /nfs/dbraw/zinc/31/82/17/592318217.db2.gz MFUZWVIYYXUEBD-QGZVFWFLSA-N 2 0 328.522 1.989 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(N2CC[NH2+]CC2)no1 ZINC000904740643 592320288 /nfs/dbraw/zinc/32/02/88/592320288.db2.gz LLWCBFFTKIPYCP-GDBMZVCRSA-N 2 0 327.432 1.715 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C12CC[NH+](CC1)C2 ZINC000908107841 592324086 /nfs/dbraw/zinc/32/40/86/592324086.db2.gz TXSOGNGWLSQOCI-DOTOQJQBSA-N 2 0 345.491 1.357 20 0 EDADRP O=C(CC[N@H+]1CCC[C@H]1COc1ccc(F)cc1)N1CC[NH2+]CC1 ZINC000903826358 592335552 /nfs/dbraw/zinc/33/55/52/592335552.db2.gz JKTSZMCRXAUDJO-INIZCTEOSA-N 2 0 335.423 1.491 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000901314324 592337110 /nfs/dbraw/zinc/33/71/10/592337110.db2.gz IVPMPLOWUIUKEO-LJQANCHMSA-N 2 0 346.475 1.261 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@@H]2CC[C@]21C[NH3+])c1ccccc1 ZINC000903860711 592349143 /nfs/dbraw/zinc/34/91/43/592349143.db2.gz UKFFXPWWFZYSHO-SCTDSRPQSA-N 2 0 330.476 1.219 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1CN1CCC([NH+]2CCCCC2)CC1 ZINC000903879382 592359722 /nfs/dbraw/zinc/35/97/22/592359722.db2.gz ZWQMJOJVGCODSM-KRWDZBQOSA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC(C[NH+]3CCCC3)CC2)cnn1C ZINC000903881321 592360410 /nfs/dbraw/zinc/36/04/10/592360410.db2.gz YHWZMCZSOFPGMQ-SFHVURJKSA-N 3 0 333.524 1.654 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1)N1CCCC1 ZINC000903892671 592366297 /nfs/dbraw/zinc/36/62/97/592366297.db2.gz LDUCBUXYBLWUEA-HZPDHXFCSA-N 2 0 346.479 1.037 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)cnn1C ZINC000903909638 592374952 /nfs/dbraw/zinc/37/49/52/592374952.db2.gz GWXACSUFWBLSDC-ROUUACIJSA-N 2 0 333.524 1.510 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2C[C@@H](C)[NH2+]Cc3ccccc32)cnn1C ZINC000903919643 592376944 /nfs/dbraw/zinc/37/69/44/592376944.db2.gz PCUOTUHPWBYMJP-ZBFHGGJFSA-N 2 0 327.476 1.844 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[NH2+]CCc1ccc2c(c1)OCCO2 ZINC000903922733 592378526 /nfs/dbraw/zinc/37/85/26/592378526.db2.gz DAEYVYDNYBFPCR-HNNXBMFYSA-N 2 0 343.431 1.306 20 0 EDADRP CN(C)[C@H](C[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926332 592380836 /nfs/dbraw/zinc/38/08/36/592380836.db2.gz KVILZDBRNPTAHB-FUHWJXTLSA-N 2 0 328.464 1.595 20 0 EDADRP NC(=O)[C@H](C[NH2+]Cc1cccc2c1CC[NH2+]C2)Cc1ccc(F)cc1 ZINC000903927079 592381180 /nfs/dbraw/zinc/38/11/80/592381180.db2.gz PTYJWOLAPOHAPW-KRWDZBQOSA-N 2 0 341.430 1.905 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)C1 ZINC000903947732 592394571 /nfs/dbraw/zinc/39/45/71/592394571.db2.gz GHVFJXOYZIABKA-WMZOPIPTSA-N 2 0 337.508 1.712 20 0 EDADRP [NH3+][C@H](Cc1nc([C@@H]2CN3CCC[C@@H]3CO2)no1)Cc1ccccc1 ZINC000904100009 592424909 /nfs/dbraw/zinc/42/49/09/592424909.db2.gz VDXSVEPNOQTMRO-XHSDSOJGSA-N 2 0 328.416 1.718 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)C1 ZINC000905175311 592454747 /nfs/dbraw/zinc/45/47/47/592454747.db2.gz LGPGLAOVTTUOKT-KRWDZBQOSA-N 2 0 348.491 1.416 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)CC1(O)CCCC1 ZINC000905176447 592455969 /nfs/dbraw/zinc/45/59/69/592455969.db2.gz ROVCPRVECNIXFS-KSZLIROESA-N 2 0 340.508 1.400 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3C[C@@H]4CC[C@H]3[NH2+]4)cc2)CC1 ZINC000904282078 592468383 /nfs/dbraw/zinc/46/83/83/592468383.db2.gz QBNYCUUGOYYKOK-CGTJXYLNSA-N 2 0 343.475 1.843 20 0 EDADRP CC[NH+]1CCC(NC(=O)c2coc(CN3CC[C@H](OC)C3)n2)CC1 ZINC000905380066 592512272 /nfs/dbraw/zinc/51/22/72/592512272.db2.gz IZTZMQBIZGSEMQ-AWEZNQCLSA-N 2 0 336.436 1.109 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000907166767 592531784 /nfs/dbraw/zinc/53/17/84/592531784.db2.gz MHKWCPCBOCSWOS-QGZVFWFLSA-N 2 0 348.491 1.760 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000908597019 592548490 /nfs/dbraw/zinc/54/84/90/592548490.db2.gz DYHMLGMMAZBYBC-MRXNPFEDSA-N 2 0 325.497 1.602 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000905533571 592554211 /nfs/dbraw/zinc/55/42/11/592554211.db2.gz JNJQVLBBUSTTAP-IKJBURDNSA-N 2 0 326.481 1.276 20 0 EDADRP O=C(Nc1ccccc1Nc1cc[nH+]cc1)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000907882425 592828059 /nfs/dbraw/zinc/82/80/59/592828059.db2.gz KNZJVFDOTVOCIR-MRXNPFEDSA-N 2 0 338.411 1.906 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906644087 592865514 /nfs/dbraw/zinc/86/55/14/592865514.db2.gz HLFLITPRWMNUMV-AWEZNQCLSA-N 2 0 332.448 1.465 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734281687 592959502 /nfs/dbraw/zinc/95/95/02/592959502.db2.gz BSYSZFNXTKQSSK-QGZVFWFLSA-N 2 0 338.496 1.367 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911725335 592989189 /nfs/dbraw/zinc/98/91/89/592989189.db2.gz UFZIWQMWMKZROA-FZMZJTMJSA-N 2 0 340.265 1.529 20 0 EDADRP C[NH2+]C1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CCC1 ZINC000911735132 592992739 /nfs/dbraw/zinc/99/27/39/592992739.db2.gz GQSYISAKOPFRNR-UHFFFAOYSA-N 2 0 331.416 1.676 20 0 EDADRP [NH3+]CCOc1cccc(NC(=O)[C@@H]2CC[NH2+][C@@H]([C@@H]3CCCO3)C2)c1 ZINC000911761923 593006582 /nfs/dbraw/zinc/00/65/82/593006582.db2.gz VFUJBBWNSWFAOZ-XYPHTWIQSA-N 2 0 333.432 1.510 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]2CCCC[N@@H+]2C)C[C@@H](C)O1 ZINC000911866856 593024300 /nfs/dbraw/zinc/02/43/00/593024300.db2.gz CYUDPDRYTHZHIR-BZUAXINKSA-N 2 0 326.485 1.269 20 0 EDADRP O=C(NC1CC[NH+](C2CCOCC2)CC1)C12CCC[NH+](CCC1)C2 ZINC000912346960 593087807 /nfs/dbraw/zinc/08/78/07/593087807.db2.gz QRYDZSUMVONDIW-UHFFFAOYSA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)N(C)Cc1ccc(C[NH+](C)C)cc1 ZINC000803202766 593309219 /nfs/dbraw/zinc/30/92/19/593309219.db2.gz YYQAHKNPOKQKMX-HNNXBMFYSA-N 2 0 348.491 1.163 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccc3c2OCCO3)CC[NH2+]CC1 ZINC000817912736 593648258 /nfs/dbraw/zinc/64/82/58/593648258.db2.gz RFMMRJXKUIEGMY-CQSZACIVSA-N 2 0 348.443 1.869 20 0 EDADRP C[NH+]1CCN(c2ncccc2C[NH2+]C[C@H](O)c2cccc(F)c2)CC1 ZINC000818980457 593731970 /nfs/dbraw/zinc/73/19/70/593731970.db2.gz DVFQHZDROKSETQ-SFHVURJKSA-N 2 0 344.434 1.796 20 0 EDADRP CN(C)C(=O)[C@@H]1CCCN1CCC[NH2+]C[C@@H](O)c1ccccc1F ZINC000818997470 593733025 /nfs/dbraw/zinc/73/30/25/593733025.db2.gz BNDRYMRBYUXTMS-DLBZAZTESA-N 2 0 337.439 1.391 20 0 EDADRP C[N@H+](C[C@H](O)CNc1ccc(N2CCC[NH+](C)CC2)cc1)C1CC1 ZINC000819409824 593753725 /nfs/dbraw/zinc/75/37/25/593753725.db2.gz DBNMIZDQRFGJNR-LJQANCHMSA-N 2 0 332.492 1.696 20 0 EDADRP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cccc(-c3nn[nH]n3)c2)CC1 ZINC000823697383 593837094 /nfs/dbraw/zinc/83/70/94/593837094.db2.gz KKZGPRIGRKDDAJ-IRXDYDNUSA-N 2 0 342.447 1.334 20 0 EDADRP CN(C)CC[NH+]1CCC(C[NH2+]Cc2cc(-c3nn[nH]n3)cs2)CC1 ZINC000821587304 593871252 /nfs/dbraw/zinc/87/12/52/593871252.db2.gz QDLXNIHVOVNKPJ-UHFFFAOYSA-N 2 0 349.508 1.291 20 0 EDADRP C[N@@H+]1CCC[C@H]2C[NH+](CCOc3cccc(-c4nn[nH]n4)c3)CC[C@H]21 ZINC000821625153 593886249 /nfs/dbraw/zinc/88/62/49/593886249.db2.gz GQSHAIHMWCWWQG-DOTOQJQBSA-N 2 0 342.447 1.662 20 0 EDADRP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1cccc(-n2cnnc2)c1 ZINC000820809462 593895231 /nfs/dbraw/zinc/89/52/31/593895231.db2.gz BFFRBLHYJYOXAT-KRWDZBQOSA-N 2 0 342.491 1.946 20 0 EDADRP Cc1ccc(-c2nn[nH]n2)c(NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)n1 ZINC000822215050 594012003 /nfs/dbraw/zinc/01/20/03/594012003.db2.gz JZEXNZBZZDEHMM-BETUJISGSA-N 2 0 331.424 1.481 20 0 EDADRP C[NH+]1[C@@H]2CC[C@H]1CC(N1CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC1)C2 ZINC000821323774 594017308 /nfs/dbraw/zinc/01/73/08/594017308.db2.gz HATJCVGEAPFYKU-HRBLRVMOSA-N 2 0 334.508 1.098 20 0 EDADRP CNC(=O)Nc1ccc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)cc1 ZINC000824820320 594079858 /nfs/dbraw/zinc/07/98/58/594079858.db2.gz WVMUSIDMTJJJIS-AWEZNQCLSA-N 2 0 349.479 1.440 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CN1C1CC1 ZINC000824892538 594092194 /nfs/dbraw/zinc/09/21/94/594092194.db2.gz JZTNIFLNXRETRW-TZMCWYRMSA-N 2 0 328.420 1.460 20 0 EDADRP CCC[NH+]1CCC([NH2+]CCOc2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825326338 594167197 /nfs/dbraw/zinc/16/71/97/594167197.db2.gz BLUYXHBVNZGBCM-UHFFFAOYSA-N 2 0 330.436 1.710 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)CCCCC[NH3+])CC1 ZINC000831088741 594553134 /nfs/dbraw/zinc/55/31/34/594553134.db2.gz LGZBDCZTKCMDFL-UHFFFAOYSA-N 2 0 340.512 1.248 20 0 EDADRP [NH3+]CCCCCCNC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000831127119 594563251 /nfs/dbraw/zinc/56/32/51/594563251.db2.gz CEOPEVWCHJARAA-UHFFFAOYSA-N 2 0 326.485 1.450 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@@]2(OCCO)CCOC2)CN(Cc2ccccc2)C1 ZINC000826943241 594606870 /nfs/dbraw/zinc/60/68/70/594606870.db2.gz WGWZJPJHPNRJSZ-HOJAQTOUSA-N 2 0 348.487 1.655 20 0 EDADRP C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000831411513 594626021 /nfs/dbraw/zinc/62/60/21/594626021.db2.gz BRZNYJLVXZYMGC-INIZCTEOSA-N 2 0 327.831 1.932 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3C[NH2+]CCO3)cc2)CC1 ZINC000831509541 594679743 /nfs/dbraw/zinc/67/97/43/594679743.db2.gz FGEAGNICKMUFHC-GOSISDBHSA-N 2 0 346.475 1.534 20 0 EDADRP C[C@H](C(=O)NCC1([N@H+](C)Cc2ccccc2)CCOCC1)[NH+](C)C ZINC000831586738 594685772 /nfs/dbraw/zinc/68/57/72/594685772.db2.gz QBSHLCMWAOJMSN-MRXNPFEDSA-N 2 0 333.476 1.734 20 0 EDADRP CCO[C@H](CNC(=O)[C@@H]1CCC[N@H+](Cc2cccnc2)C1)C[NH+](C)C ZINC000831756753 594699970 /nfs/dbraw/zinc/69/99/70/594699970.db2.gz KYQBQTOFTXVRRB-QZTJIDSGSA-N 2 0 348.491 1.377 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCCCC2)c1 ZINC000841019071 594840098 /nfs/dbraw/zinc/84/00/98/594840098.db2.gz BLAJMTJZZWDNOA-HNNXBMFYSA-N 2 0 346.475 1.725 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000841019072 594840213 /nfs/dbraw/zinc/84/02/13/594840213.db2.gz BLAJMTJZZWDNOA-OAHLLOKOSA-N 2 0 346.475 1.725 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccc(-n3ccnc3)nc2)CC1 ZINC000841100086 594850705 /nfs/dbraw/zinc/85/07/05/594850705.db2.gz TZLVUWUWEWGILI-MJGOQNOKSA-N 2 0 341.459 1.986 20 0 EDADRP C[C@H]1CN(c2ccc(NC(=O)N3CCN(C)C[C@H]3C[NH3+])cc2)CCO1 ZINC000841122965 594854575 /nfs/dbraw/zinc/85/45/75/594854575.db2.gz WGLOUFBQTOMDDZ-WMLDXEAASA-N 2 0 347.463 1.018 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)Nc2cccc(C(=O)OC[C@@H]3CCC[NH2+]3)c2)C1 ZINC000841845949 594963872 /nfs/dbraw/zinc/96/38/72/594963872.db2.gz CJVPAFHYEDKSSB-COXVUDFISA-N 2 0 345.443 1.922 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000841895575 594976006 /nfs/dbraw/zinc/97/60/06/594976006.db2.gz FXFFHWLSAUNPOC-MJGOQNOKSA-N 2 0 330.476 1.950 20 0 EDADRP C[N@@H+]1C[C@@H](CNC(=S)NC2CC[NH+](C)CC2)[C@H](c2ccccc2)C1 ZINC000843283500 595061333 /nfs/dbraw/zinc/06/13/33/595061333.db2.gz ZEXCRFOBTPYQNK-AEFFLSMTSA-N 2 0 346.544 1.890 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843490722 595128615 /nfs/dbraw/zinc/12/86/15/595128615.db2.gz WYNUUPMJEJIGDT-CQSZACIVSA-N 2 0 325.478 1.407 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000843495782 595130634 /nfs/dbraw/zinc/13/06/34/595130634.db2.gz VPOUNJKUECTJTD-FUHWJXTLSA-N 2 0 335.423 1.650 20 0 EDADRP [NH3+]CCC1CC[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)CC1 ZINC000846227088 595179407 /nfs/dbraw/zinc/17/94/07/595179407.db2.gz GEKCFKFPEUBXQO-UHFFFAOYSA-N 2 0 346.475 1.523 20 0 EDADRP [NH3+]C1(C(=O)NC2CC[NH+](C[C@H]3CCCO3)CC2)Cc2ccccc2C1 ZINC000844172370 595290713 /nfs/dbraw/zinc/29/07/13/595290713.db2.gz WDASIUVLTCSDHZ-GOSISDBHSA-N 2 0 343.471 1.242 20 0 EDADRP C[NH+](C)CCOc1ccc(-c2noc(C[C@@H]3C[NH2+]CCO3)n2)cc1 ZINC000843177721 595299980 /nfs/dbraw/zinc/29/99/80/595299980.db2.gz FBKNLOOMRIHQDL-OAHLLOKOSA-N 2 0 332.404 1.208 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCCCCCC[NH3+])CC1 ZINC000844221746 595306513 /nfs/dbraw/zinc/30/65/13/595306513.db2.gz JPWJPOCNUYQECI-QGZVFWFLSA-N 2 0 338.540 1.961 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920134 595337524 /nfs/dbraw/zinc/33/75/24/595337524.db2.gz UNJPABWHZNDEDD-ROUUACIJSA-N 2 0 339.480 1.386 20 0 EDADRP CCN1C[C@@H](C[N@@H+]2CCCN(C3CC[NH+](CC)CC3)CC2)OC1=O ZINC000847000542 595348987 /nfs/dbraw/zinc/34/89/87/595348987.db2.gz GDSFTUCZAXIZBX-QGZVFWFLSA-N 2 0 338.496 1.319 20 0 EDADRP COC(=O)/C=C\c1ccc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)o1 ZINC000848893007 595464425 /nfs/dbraw/zinc/46/44/25/595464425.db2.gz MWHNWDIGOZEQJR-FPLPWBNLSA-N 2 0 335.448 1.581 20 0 EDADRP [NH2+]=C(NCC1CCC1)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000849117666 595484764 /nfs/dbraw/zinc/48/47/64/595484764.db2.gz PCSSWBZOSMGHDZ-UHFFFAOYSA-N 2 0 330.476 1.928 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849497053 595551582 /nfs/dbraw/zinc/55/15/82/595551582.db2.gz CTOVXMUWUDNCEQ-BPQIPLTHSA-N 2 0 347.507 1.446 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C1=NO[C@H](C[NH3+])C1)c1cccc(OC)c1 ZINC000852857373 595578845 /nfs/dbraw/zinc/57/88/45/595578845.db2.gz QXGLQYRPLLSLRP-RDJZCZTQSA-N 2 0 348.447 1.298 20 0 EDADRP CC[C@@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852890679 595601461 /nfs/dbraw/zinc/60/14/61/595601461.db2.gz UYFOYLFUOVAOSO-HZPDHXFCSA-N 2 0 330.432 1.213 20 0 EDADRP NC(=O)[C@@](O)(C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000851727206 595899965 /nfs/dbraw/zinc/89/99/65/595899965.db2.gz GNFRUENLKVTALD-LJQANCHMSA-N 2 0 331.460 1.167 20 0 EDADRP C[C@@H]([NH3+])CN(C)C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000861539449 596020370 /nfs/dbraw/zinc/02/03/70/596020370.db2.gz DBMNWQRMXXQNSX-CQSZACIVSA-N 2 0 332.448 1.069 20 0 EDADRP CNC(=O)CCC[N@@H+]1CC[C@H](Oc2ccnc(C[NH+](C)C(C)C)c2)C1 ZINC000856605322 596031965 /nfs/dbraw/zinc/03/19/65/596031965.db2.gz WCDCQVYHQBIFPR-SFHVURJKSA-N 2 0 348.491 1.901 20 0 EDADRP C[C@@]1(CNC(=O)NCCOCCC[NH3+])CC[N@H+](Cc2ccccc2)C1 ZINC000861629037 596051427 /nfs/dbraw/zinc/05/14/27/596051427.db2.gz CFULRMMTCPOTMD-IBGZPJMESA-N 2 0 348.491 1.563 20 0 EDADRP O=C([C@@H]1CC[NH+](C2CCCCC2)C1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861712664 596077261 /nfs/dbraw/zinc/07/72/61/596077261.db2.gz RJEZXBZNIPHRNM-NJAFHUGGSA-N 2 0 335.492 1.309 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)cc1 ZINC000861912496 596147049 /nfs/dbraw/zinc/14/70/49/596147049.db2.gz QUCNKKSXKDGGJJ-CCFOBEKMSA-N 2 0 343.471 1.659 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCN2C(=O)NC3(CCCC3)C2=O)C1 ZINC000866705548 596301202 /nfs/dbraw/zinc/30/12/02/596301202.db2.gz CIYITQMOEVEUFZ-KRWDZBQOSA-N 2 0 336.480 1.548 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)CC[C@@H]21 ZINC000868791614 596307418 /nfs/dbraw/zinc/30/74/18/596307418.db2.gz RHHFFBOFKOPSOP-MSOLQXFVSA-N 2 0 334.508 1.844 20 0 EDADRP COCC[N@H+]1[C@H](C)CN(C(=O)NC2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC000120224883 596347423 /nfs/dbraw/zinc/34/74/23/596347423.db2.gz ULYJRKDHFILEHC-IYBDPMFKSA-N 2 0 340.512 1.610 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870928434 596409298 /nfs/dbraw/zinc/40/92/98/596409298.db2.gz GKJDQNFZUQFHDV-RISCZKNCSA-N 2 0 340.265 1.859 20 0 EDADRP [NH3+][C@H](C(=O)NC1CCC([NH3+])CC1)c1cccc(Br)c1 ZINC000870933925 596411327 /nfs/dbraw/zinc/41/13/27/596411327.db2.gz ATTXEARNOXPYTO-BPCQOVAHSA-N 2 0 326.238 1.835 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Br)c1 ZINC000870940968 596413702 /nfs/dbraw/zinc/41/37/02/596413702.db2.gz QPDFJSIIRKNEQO-FRRDWIJNSA-N 2 0 326.238 1.835 20 0 EDADRP CC[NH+]1CCN(CCC(=O)NCCC2CC[NH+](C(C)C)CC2)CC1 ZINC000870958202 596417718 /nfs/dbraw/zinc/41/77/18/596417718.db2.gz LVBFCIGEZWULJA-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP Cc1cc([C@H]([NH3+])CC(=O)N2CC[C@H]3[C@H](CC[N@H+]3C)C2)cc(Cl)n1 ZINC000870983308 596429396 /nfs/dbraw/zinc/42/93/96/596429396.db2.gz VBGDGNJQUJQNLZ-YUELXQCFSA-N 2 0 336.867 1.986 20 0 EDADRP CN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000865085841 596468660 /nfs/dbraw/zinc/46/86/60/596468660.db2.gz RETUUVNGLGPXGT-UHFFFAOYSA-N 2 0 343.475 1.779 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1C1CC[NH+](CCC2SCCS2)CC1 ZINC000863548640 596614389 /nfs/dbraw/zinc/61/43/89/596614389.db2.gz UUCXVJOJSQZVSY-QWHCGFSZSA-N 2 0 343.518 1.440 20 0 EDADRP Cc1ncsc1CC[NH+]1CCC(N2C(=O)O[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000863549179 596614636 /nfs/dbraw/zinc/61/46/36/596614636.db2.gz BVIWRFZVTDZPRP-KGLIPLIRSA-N 2 0 336.461 1.251 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N(CCOC)CC2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000869759719 596620112 /nfs/dbraw/zinc/62/01/12/596620112.db2.gz LUTZYDYUZHIMIU-DLBZAZTESA-N 2 0 325.497 1.534 20 0 EDADRP COCCC1(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CC[NH2+]CC1 ZINC000868044101 596666864 /nfs/dbraw/zinc/66/68/64/596666864.db2.gz YWVOIOGHCIDWHA-QGZVFWFLSA-N 2 0 345.487 1.954 20 0 EDADRP CCc1c[nH]c(=O)c(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870016939 596708924 /nfs/dbraw/zinc/70/89/24/596708924.db2.gz BVHMJWPAWCRDLQ-HUUCEWRRSA-N 2 0 334.464 1.161 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c([nH]2)CCCC3)C[C@H]1C[NH+](C)C ZINC000870017232 596709541 /nfs/dbraw/zinc/70/95/41/596709541.db2.gz JQGPZKZCRKHQSM-HZPDHXFCSA-N 2 0 332.492 1.705 20 0 EDADRP CSc1cc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)co1 ZINC000870017293 596709599 /nfs/dbraw/zinc/70/95/99/596709599.db2.gz ITRLSMMSOOTCJH-ZIAGYGMSSA-N 2 0 325.478 1.813 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=Cc3ccccc3OC2)C[C@H]1C[NH+](C)C ZINC000870023822 596713752 /nfs/dbraw/zinc/71/37/52/596713752.db2.gz BGDRPECHVOOOFH-QZTJIDSGSA-N 2 0 343.471 1.660 20 0 EDADRP COc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870025791 596714459 /nfs/dbraw/zinc/71/44/59/596714459.db2.gz YATQBFOSMYZODE-IAGOWNOFSA-N 2 0 333.476 1.436 20 0 EDADRP Cc1cccc(OCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC000870024757 596714685 /nfs/dbraw/zinc/71/46/85/596714685.db2.gz IUCBYOCINPPMRN-IAGOWNOFSA-N 2 0 333.476 1.572 20 0 EDADRP CC[C@H](CO)[NH+]1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868183818 596714782 /nfs/dbraw/zinc/71/47/82/596714782.db2.gz DFRUZJWBIYGPLH-IXDOHACOSA-N 2 0 332.448 1.422 20 0 EDADRP C[N@H+](CCCCNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CC1 ZINC000868243984 596743083 /nfs/dbraw/zinc/74/30/83/596743083.db2.gz RJLCNBZJOTZZNZ-DLBZAZTESA-N 2 0 344.459 1.430 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nc(N)[nH+]c3c2CCCC3)C[C@H]1C[NH+](C)C ZINC000866010443 596757046 /nfs/dbraw/zinc/75/70/46/596757046.db2.gz ITWXPQUVQWAWBM-ZIAGYGMSSA-N 3 0 332.496 1.113 20 0 EDADRP COc1ncc(Cl)c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000866011656 596757602 /nfs/dbraw/zinc/75/76/02/596757602.db2.gz ILGKZAVQHLDSCQ-VXGBXAGGSA-N 2 0 327.860 1.314 20 0 EDADRP CC[C@@H]([NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1)[C@H]1CCCOC1 ZINC000872080040 596801588 /nfs/dbraw/zinc/80/15/88/596801588.db2.gz RXISVKDXFFKNGI-ZWKOTPCHSA-N 2 0 339.524 1.578 20 0 EDADRP O=C1N[C@@H]2C[N@H+](C[C@H]3CC4(CCC4)CO3)CC[C@H]2N1C1CC[NH2+]CC1 ZINC000872145831 596810181 /nfs/dbraw/zinc/81/01/81/596810181.db2.gz WQOSHELOHKJCEZ-BRWVUGGUSA-N 2 0 348.491 1.166 20 0 EDADRP CC[C@H](c1ccc(F)cc1)[NH+]1CCN(CCN2CC[NH2+]CC2)CC1 ZINC000872146083 596810241 /nfs/dbraw/zinc/81/02/41/596810241.db2.gz FEUQIYLIAXWCHS-LJQANCHMSA-N 2 0 334.483 1.800 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3nnnn3C)CC2)cc1 ZINC000872146411 596810470 /nfs/dbraw/zinc/81/04/70/596810470.db2.gz NBBNGZNNEGEEKO-HNNXBMFYSA-N 2 0 330.436 1.141 20 0 EDADRP COCCCNC(=O)C[N@@H+]1CCC[C@@H](C[C@@H]([NH3+])C2CCCC2)C1 ZINC000872158497 596816984 /nfs/dbraw/zinc/81/69/84/596816984.db2.gz VRSLZMLRBRPRTK-DOTOQJQBSA-N 2 0 325.497 1.759 20 0 EDADRP COCCCNC(=O)C[N@@H+]1CCC[C@H](C[C@H]([NH3+])C2CCCC2)C1 ZINC000872158500 596817128 /nfs/dbraw/zinc/81/71/28/596817128.db2.gz VRSLZMLRBRPRTK-WBVHZDCISA-N 2 0 325.497 1.759 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]3[C@@H]2C(C)(C)[C@H]3O)CC1 ZINC000872257179 596857547 /nfs/dbraw/zinc/85/75/47/596857547.db2.gz BQROTIGANLGSEX-JQHSSLGASA-N 2 0 337.508 1.457 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3CC[NH2+]CCC3(C)C)ccn2)CC1 ZINC000872297431 596872265 /nfs/dbraw/zinc/87/22/65/596872265.db2.gz OURVMFMBRZSISN-UHFFFAOYSA-N 2 0 331.464 1.048 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])CC1 ZINC000872308254 596876419 /nfs/dbraw/zinc/87/64/19/596876419.db2.gz UMAFJOWIUJIQJU-SJORKVTESA-N 2 0 337.508 1.997 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCSC2)C[C@H]1C[NH+](C)C ZINC000875584656 596906353 /nfs/dbraw/zinc/90/63/53/596906353.db2.gz IMKMPIAKXMIKOX-BZUAXINKSA-N 2 0 342.553 1.510 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[N@H+](C)C(C)(C)CC2)c1 ZINC000874095120 596925520 /nfs/dbraw/zinc/92/55/20/596925520.db2.gz QJHPCPUCMFJAER-UHFFFAOYSA-N 2 0 346.475 1.629 20 0 EDADRP C[N@@H+]1CC[C@H]2CN(C(=O)Nc3cnn(C4CC[NH+](C)CC4)c3)CC[C@@H]21 ZINC000876016734 597066032 /nfs/dbraw/zinc/06/60/32/597066032.db2.gz CTYVNOZBCFGHTA-YOEHRIQHSA-N 2 0 346.479 1.708 20 0 EDADRP COCCC1(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[NH2+]CC1 ZINC000874429100 597074427 /nfs/dbraw/zinc/07/44/27/597074427.db2.gz AYAIZBMOROLKAB-KRWDZBQOSA-N 2 0 348.491 1.747 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000874431701 597075747 /nfs/dbraw/zinc/07/57/47/597075747.db2.gz BFLRQAROIXOTQW-ZHALLVOQSA-N 2 0 328.460 1.845 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000874431588 597075770 /nfs/dbraw/zinc/07/57/70/597075770.db2.gz ACEAOJRKHXGXKV-SFHVURJKSA-N 2 0 330.476 1.873 20 0 EDADRP COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1cc2c(s1)CC[NH2+]C2 ZINC000873205825 597226969 /nfs/dbraw/zinc/22/69/69/597226969.db2.gz RRHBEHILSLOQIT-GFCCVEGCSA-N 2 0 326.487 1.874 20 0 EDADRP O=C1CNC(=O)N1Cc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000873248939 597239497 /nfs/dbraw/zinc/23/94/97/597239497.db2.gz JCLCJWNRLNMXEL-IXDOHACOSA-N 2 0 342.443 1.216 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873250316 597240503 /nfs/dbraw/zinc/24/05/03/597240503.db2.gz QRIBUNDHTADWKH-JKSUJKDBSA-N 2 0 330.432 1.346 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)N2CC3(C2)C[NH+](Cc2ccccc2)C3)C1 ZINC000875135477 597297379 /nfs/dbraw/zinc/29/73/79/597297379.db2.gz YVIVJYZFDQQPPQ-KRWDZBQOSA-N 2 0 328.460 1.608 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000876738968 597315937 /nfs/dbraw/zinc/31/59/37/597315937.db2.gz BALCSCNAKUTFKV-SFHVURJKSA-N 2 0 332.492 1.568 20 0 EDADRP Cn1ncc(C[NH3+])c1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000876739332 597315984 /nfs/dbraw/zinc/31/59/84/597315984.db2.gz ORZDIXGOKIYARA-ZDUSSCGKSA-N 2 0 347.488 1.582 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000876739450 597316110 /nfs/dbraw/zinc/31/61/10/597316110.db2.gz GEIRJSKHVBVJCR-FZMZJTMJSA-N 2 0 340.265 1.907 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000876747178 597319373 /nfs/dbraw/zinc/31/93/73/597319373.db2.gz XQIDFPGYUXXOOB-BKFNIVOESA-N 2 0 348.535 1.559 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)CCC23CC(C2)C[NH2+]3)CC1 ZINC000876779912 597337824 /nfs/dbraw/zinc/33/78/24/597337824.db2.gz NTLMNIMCSOTRSU-UHFFFAOYSA-N 2 0 328.460 1.909 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000876779979 597337840 /nfs/dbraw/zinc/33/78/40/597337840.db2.gz AIPYPSPYKSOSQT-KKFIHJGRSA-N 2 0 328.460 1.574 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000876897143 597375923 /nfs/dbraw/zinc/37/59/23/597375923.db2.gz QBQYZMYKTPBQTB-OKZBNKHCSA-N 2 0 345.487 1.767 20 0 EDADRP COc1ccc([C@H](C[NH+]2CCCC2)NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)cc1 ZINC000876904288 597378602 /nfs/dbraw/zinc/37/86/02/597378602.db2.gz XYJIHHZKQLGTGL-NJAFHUGGSA-N 2 0 349.450 1.896 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876942553 597391724 /nfs/dbraw/zinc/39/17/24/597391724.db2.gz ZFGGEATXQNXGCJ-OAHLLOKOSA-N 2 0 347.507 1.996 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000876957267 597396234 /nfs/dbraw/zinc/39/62/34/597396234.db2.gz VZOQYJWIAUZMKG-ZACQAIPSSA-N 2 0 345.491 1.863 20 0 EDADRP CC1(C)[C@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C[C@@H]1[NH3+] ZINC000876960974 597397268 /nfs/dbraw/zinc/39/72/68/597397268.db2.gz BRFHUKURIHCFKB-IRXDYDNUSA-N 2 0 330.476 1.783 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876967662 597400971 /nfs/dbraw/zinc/40/09/71/597400971.db2.gz KHWIZRRCIASHOH-KSZLIROESA-N 2 0 333.451 1.709 20 0 EDADRP CN(C(=O)CCC12CC(C1)C[NH2+]2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876971259 597402179 /nfs/dbraw/zinc/40/21/79/597402179.db2.gz FKLVVNNDLRPVKS-RMXPPQQLSA-N 2 0 334.508 1.146 20 0 EDADRP C[C@H](NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CCOCC1 ZINC000875382182 597407761 /nfs/dbraw/zinc/40/77/61/597407761.db2.gz OQWIEWFBBLQYBZ-USXIJHARSA-N 2 0 340.512 1.182 20 0 EDADRP C[C@@H]1CC(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)C[C@@H](C)O1 ZINC000875441524 597429606 /nfs/dbraw/zinc/42/96/06/597429606.db2.gz FTCFTXMIIZJYKZ-KLHDSHLOSA-N 2 0 340.512 1.323 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000877132456 597439638 /nfs/dbraw/zinc/43/96/38/597439638.db2.gz DYNRLYMASZWQRT-CQSZACIVSA-N 2 0 333.423 1.048 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000877152063 597443887 /nfs/dbraw/zinc/44/38/87/597443887.db2.gz YTVXCNKIITWLDQ-GJZGRUSLSA-N 2 0 333.480 1.624 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000877151770 597444137 /nfs/dbraw/zinc/44/41/37/597444137.db2.gz RESWZQFTLCYHMO-SJORKVTESA-N 2 0 332.492 1.340 20 0 EDADRP O=C(COCc1cccnc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000877199680 597459820 /nfs/dbraw/zinc/45/98/20/597459820.db2.gz ZYJNMOSIMZXPIM-UHFFFAOYSA-N 2 0 327.388 1.042 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000877224279 597466271 /nfs/dbraw/zinc/46/62/71/597466271.db2.gz GTVJMHAWDJSPOS-KRWDZBQOSA-N 2 0 333.476 1.519 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)(c2ccccc2)CC1 ZINC000877224094 597466414 /nfs/dbraw/zinc/46/64/14/597466414.db2.gz DLWFQYJIYBJJLI-GJZGRUSLSA-N 2 0 337.414 1.606 20 0 EDADRP C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877399275 597509944 /nfs/dbraw/zinc/50/99/44/597509944.db2.gz MAMXWKCEFQYZBB-CYBMUJFWSA-N 2 0 329.485 1.725 20 0 EDADRP CN(c1ccccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1)C1CC[NH+](C)CC1 ZINC000877749094 597553027 /nfs/dbraw/zinc/55/30/27/597553027.db2.gz FQPDELNQPYTMNT-MOPGFXCFSA-N 2 0 333.476 1.145 20 0 EDADRP CCC[N@H+](CC(=O)NC1CC[NH+](C)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000878123834 597580023 /nfs/dbraw/zinc/58/00/23/597580023.db2.gz ACHMKQGXFSMDEJ-CGTJXYLNSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000878426367 597600967 /nfs/dbraw/zinc/60/09/67/597600967.db2.gz ZJWOZWLLNOSIRX-NJSLBKSFSA-N 2 0 331.460 1.740 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CC(=O)NC2CC[NH+](C)CC2)C1(CC)CC ZINC000878448537 597602611 /nfs/dbraw/zinc/60/26/11/597602611.db2.gz SHQDVQOWIQPUGA-JKSUJKDBSA-N 2 0 325.497 1.770 20 0 EDADRP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000878597639 597649711 /nfs/dbraw/zinc/64/97/11/597649711.db2.gz PYJYISUYTLXGMP-RBUKOAKNSA-N 2 0 333.476 1.545 20 0 EDADRP Cn1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(C2CC2)n1 ZINC000879618236 597660567 /nfs/dbraw/zinc/66/05/67/597660567.db2.gz SSVZZSGTIOVWBB-HUUCEWRRSA-N 2 0 348.495 1.501 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1c1cc[nH+]cc1 ZINC000883133850 597662831 /nfs/dbraw/zinc/66/28/31/597662831.db2.gz JMNAFUGBWHEPAB-SOLBZPMBSA-N 2 0 343.475 1.929 20 0 EDADRP COC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CCCOC1 ZINC000883216131 597687716 /nfs/dbraw/zinc/68/77/16/597687716.db2.gz LLRPDCIIMWCVHR-ZCNNSNEGSA-N 2 0 348.487 1.784 20 0 EDADRP CC(C)C[N@@H+](CC(=O)NC[C@H]1CCCO1)CC1CC[NH+](C)CC1 ZINC000879702268 597694478 /nfs/dbraw/zinc/69/44/78/597694478.db2.gz IKFAJKGVXXHOQO-QGZVFWFLSA-N 2 0 325.497 1.581 20 0 EDADRP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@H+](C)CCOCCO)CC1 ZINC000883349946 597722131 /nfs/dbraw/zinc/72/21/31/597722131.db2.gz RITGNADVWWCPTK-PKOBYXMFSA-N 2 0 341.540 1.560 20 0 EDADRP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C1(C)C ZINC000878826049 597725956 /nfs/dbraw/zinc/72/59/56/597725956.db2.gz PANKDFRIRNCLRC-ILXRZTDVSA-N 2 0 343.512 1.969 20 0 EDADRP CN1CCC(CNC(=O)N2CC[C@H](CF)C2)([NH+]2CCCCC2)CC1 ZINC000883467842 597760451 /nfs/dbraw/zinc/76/04/51/597760451.db2.gz AKONFTGNNGFHRH-MRXNPFEDSA-N 2 0 340.487 1.938 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000883533199 597792468 /nfs/dbraw/zinc/79/24/68/597792468.db2.gz JDEZGXYKIGRJDK-ZACQAIPSSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883585699 597814177 /nfs/dbraw/zinc/81/41/77/597814177.db2.gz VTGKDUYFQVBZGY-BMGDILEWSA-N 2 0 343.475 1.843 20 0 EDADRP CCC1([NH+]2CCCCC2)CCN(C(=O)C(=O)N(C)CCC[NH3+])CC1 ZINC000883643156 597844479 /nfs/dbraw/zinc/84/44/79/597844479.db2.gz FNGJPCKVXSIDIH-UHFFFAOYSA-N 2 0 338.496 1.051 20 0 EDADRP CN(CC1([NH+](C)C)CCC1)C(=O)C(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000883654181 597850049 /nfs/dbraw/zinc/85/00/49/597850049.db2.gz UYXUWFAZYLBBDH-UHFFFAOYSA-N 2 0 338.496 1.049 20 0 EDADRP COC(=O)C1=C(C)O[C@@H](C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)C1 ZINC000880261396 597886447 /nfs/dbraw/zinc/88/64/47/597886447.db2.gz VOWPYYOSMFCKRK-CZUORRHYSA-N 2 0 331.416 1.828 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NCC[C@@H]1CCCC1(F)F ZINC000883932690 597946371 /nfs/dbraw/zinc/94/63/71/597946371.db2.gz AJIQOVWXYARVKN-AWEZNQCLSA-N 2 0 334.455 1.995 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)CC1 ZINC000880576636 597968823 /nfs/dbraw/zinc/96/88/23/597968823.db2.gz AQQQQAYGOAHFBQ-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP [NH3+][C@@H](C(=O)NCC[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1 ZINC000884027333 597972202 /nfs/dbraw/zinc/97/22/02/597972202.db2.gz ZCWYLMGAJIXAIX-GXFFZTMASA-N 2 0 326.238 1.565 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000882494102 597976685 /nfs/dbraw/zinc/97/66/85/597976685.db2.gz GYLXGSCLSSKOJC-KURKYZTESA-N 2 0 347.507 1.444 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@H]([NH3+])c1ccc(Br)cc1 ZINC000884175376 598014938 /nfs/dbraw/zinc/01/49/38/598014938.db2.gz REMAWIQDABNRSM-CYBMUJFWSA-N 2 0 328.254 1.907 20 0 EDADRP COCC[C@H]([NH3+])C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000884180779 598017237 /nfs/dbraw/zinc/01/72/37/598017237.db2.gz JWLDSTXSKNDKCY-INIZCTEOSA-N 2 0 339.867 1.784 20 0 EDADRP [NH3+][C@@H](Cc1cc2ccccc2o1)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000884192249 598021546 /nfs/dbraw/zinc/02/15/46/598021546.db2.gz AGDSVVQOECKZTJ-GUYCJALGSA-N 2 0 327.428 1.903 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]([NH3+])Cc2cc3ccccc3o2)C1 ZINC000884213568 598031568 /nfs/dbraw/zinc/03/15/68/598031568.db2.gz FTUKSTFWODAWPT-GOEBONIOSA-N 2 0 331.416 1.140 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ncsc2C2CC2)C[C@H]1C[NH+](C)C ZINC000881020812 598054570 /nfs/dbraw/zinc/05/45/70/598054570.db2.gz PYDWIQXAVKAUPU-ZIAGYGMSSA-N 2 0 336.505 1.832 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000884309052 598061216 /nfs/dbraw/zinc/06/12/16/598061216.db2.gz KQHVVSPVQCNERR-SFHVURJKSA-N 2 0 349.475 1.468 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884365505 598082333 /nfs/dbraw/zinc/08/23/33/598082333.db2.gz KGEBGCHKKSPXSG-UTUOFQBUSA-N 2 0 326.238 1.691 20 0 EDADRP [NH3+][C@H](C(=O)N1C[C@H]2CCC[C@]2([NH3+])C1)c1ccc(Br)cc1 ZINC000884426212 598101580 /nfs/dbraw/zinc/10/15/80/598101580.db2.gz DYEVCDIQKRTOGF-ZLDLUXBVSA-N 2 0 338.249 1.789 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000914090084 695083032 /nfs/dbraw/zinc/08/30/32/695083032.db2.gz YBUYTMIMKSVYIV-GOSISDBHSA-N 2 0 345.491 1.202 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N[C@@H]1CCC[NH+]2CCSC[C@@H]12 ZINC000914160492 695171876 /nfs/dbraw/zinc/17/18/76/695171876.db2.gz FFCSOUZULKPIFR-IMJJTQAJSA-N 2 0 338.521 1.350 20 0 EDADRP Cc1nccn1CCCNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000914247645 695309407 /nfs/dbraw/zinc/30/94/07/695309407.db2.gz CEGQYBOUHCQZLA-GJZGRUSLSA-N 2 0 337.493 1.461 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]3CCC[C@@H]([NH2+]CCO)[C@@H]3C2)CC1 ZINC000992848144 695406393 /nfs/dbraw/zinc/40/63/93/695406393.db2.gz HLLQZDQHFFLUCV-RCCFBDPRSA-N 2 0 337.508 1.316 20 0 EDADRP CCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccn(CC[NH+](C)C)n2)[C@H]1C ZINC000993366796 696015243 /nfs/dbraw/zinc/01/52/43/696015243.db2.gz PAUSMLNJOGXCBU-HZPDHXFCSA-N 2 0 335.496 1.828 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)[C@@H]1C ZINC000993575606 696229780 /nfs/dbraw/zinc/22/97/80/696229780.db2.gz OGLZTQAOGPFXAV-HOCLYGCPSA-N 2 0 343.431 1.496 20 0 EDADRP C[C@H](CNC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12)[NH+](C)C1CC1 ZINC000916851835 696803163 /nfs/dbraw/zinc/80/31/63/696803163.db2.gz SCBRICSUEIZFRE-YUELXQCFSA-N 2 0 326.510 1.348 20 0 EDADRP CCN1CCO[C@@H](C(=O)NC2C[NH+](CC3CCC4(CC4)CC3)C2)C1 ZINC001031418995 697072710 /nfs/dbraw/zinc/07/27/10/697072710.db2.gz QRGWZRKHSQBRGY-QGZVFWFLSA-N 2 0 335.492 1.478 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NC1C[NH+](C[C@@H]2C[C@]23CCOC3)C1 ZINC001031438231 697105109 /nfs/dbraw/zinc/10/51/09/697105109.db2.gz XYANXXPWMSJFFR-JXFKEZNVSA-N 2 0 343.471 1.589 20 0 EDADRP O=C(NCC1CN(Cc2cccc(F)c2F)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675384 697485061 /nfs/dbraw/zinc/48/50/61/697485061.db2.gz GOYRWMLIGXVNNU-MRXNPFEDSA-N 2 0 349.425 1.855 20 0 EDADRP O=C(NCC1C[NH+](CC2=CCCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689345 697530975 /nfs/dbraw/zinc/53/09/75/697530975.db2.gz TXDKJHMRVIRNCZ-ZWKOTPCHSA-N 2 0 333.476 1.398 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000921439223 697613502 /nfs/dbraw/zinc/61/35/02/697613502.db2.gz VHGMWKIEFPAGLW-NVXWUHKLSA-N 2 0 338.496 1.413 20 0 EDADRP COc1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)Cn3cncc3C)C2)on1 ZINC000995038134 700196705 /nfs/dbraw/zinc/19/67/05/700196705.db2.gz PXRMGPAEYJHURB-UONOGXRCSA-N 2 0 347.419 1.263 20 0 EDADRP C[C@@H]1C[N@H+](CC2CCC2)CC[C@H]1NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000943519328 698435019 /nfs/dbraw/zinc/43/50/19/698435019.db2.gz WOFYCWLIAXKENF-CRAIPNDOSA-N 2 0 347.507 1.685 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]Cc3nonc3C)CC2)CC[N@@H+]1C ZINC000940122975 700256137 /nfs/dbraw/zinc/25/61/37/700256137.db2.gz BSMYPKNYMWLELT-GOEBONIOSA-N 2 0 349.479 1.579 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCO2)C1)[C@H]1CCn2ccnc2C1 ZINC001031783978 699213328 /nfs/dbraw/zinc/21/33/28/699213328.db2.gz JJDHTOYGXHNCRV-JKSUJKDBSA-N 2 0 332.448 1.063 20 0 EDADRP CC(C)=CCN1CC(N2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)C1 ZINC000941566970 701585489 /nfs/dbraw/zinc/58/54/89/701585489.db2.gz NGSSKQFSPSCEDT-UHFFFAOYSA-N 2 0 348.535 1.513 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3ccn4c[nH+]cc4c3)C2)O1 ZINC001031816621 699517090 /nfs/dbraw/zinc/51/70/90/699517090.db2.gz HIZGSWQCAALTQP-SUMWQHHRSA-N 2 0 328.416 1.563 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCc1ccnn1C ZINC000939396531 699546399 /nfs/dbraw/zinc/54/63/99/699546399.db2.gz JXSTYWMJHJWLFD-FUHWJXTLSA-N 2 0 347.507 1.131 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1C ZINC000939544029 699685320 /nfs/dbraw/zinc/68/53/20/699685320.db2.gz HDPZOIFKTPLXTJ-NVXWUHKLSA-N 2 0 328.460 1.422 20 0 EDADRP C[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1cc(C2CC2)no1 ZINC000939551992 699701709 /nfs/dbraw/zinc/70/17/09/699701709.db2.gz VJDVOZQTDONQAJ-DYVFJYSZSA-N 2 0 344.459 1.584 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1cccc(N(C)C)c1 ZINC000939752836 699902072 /nfs/dbraw/zinc/90/20/72/699902072.db2.gz AQGLKJWBJVGITR-LPHOPBHVSA-N 2 0 344.503 1.785 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939753479 699902898 /nfs/dbraw/zinc/90/28/98/699902898.db2.gz FWMJHVJYUVIHER-GOEBONIOSA-N 2 0 332.448 1.123 20 0 EDADRP Cc1nn(C(C)C)cc1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754084 699903705 /nfs/dbraw/zinc/90/37/05/699903705.db2.gz KMOQVODHTOCSPN-QAPCUYQASA-N 2 0 347.507 1.805 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1[NH2+]Cc1c(F)cccc1F ZINC000939754623 699904786 /nfs/dbraw/zinc/90/47/86/699904786.db2.gz NSDPPLKWENNWMU-DYVFJYSZSA-N 2 0 337.414 1.997 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC3(C2)CC[NH+](CCO)CC3)C1 ZINC001040912212 699923091 /nfs/dbraw/zinc/92/30/91/699923091.db2.gz LUFXGGWJWHALDF-IAGOWNOFSA-N 2 0 337.508 1.414 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]Cc1nccn1C ZINC000939809758 699958141 /nfs/dbraw/zinc/95/81/41/699958141.db2.gz JFYBMOIGWFOUNC-HZPDHXFCSA-N 2 0 333.480 1.233 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC000939810402 699958598 /nfs/dbraw/zinc/95/85/98/699958598.db2.gz MXBOQMCSBIBJRG-CRAIPNDOSA-N 2 0 347.507 1.541 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000940153872 700283551 /nfs/dbraw/zinc/28/35/51/700283551.db2.gz CNTKXKRBEWNMEX-UHFFFAOYSA-N 2 0 335.452 1.333 20 0 EDADRP Cn1cc(C[NH2+]C2(C)CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000940159602 700292004 /nfs/dbraw/zinc/29/20/04/700292004.db2.gz LRBQRNSLALMEBS-QGZVFWFLSA-N 2 0 347.507 1.765 20 0 EDADRP CCn1ccc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940178870 700312770 /nfs/dbraw/zinc/31/27/70/700312770.db2.gz ODYKRKHMHFRGJF-KRWDZBQOSA-N 2 0 347.507 1.858 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000940179226 700312781 /nfs/dbraw/zinc/31/27/81/700312781.db2.gz RTGDIUVGHASELM-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nonc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000940179162 700312945 /nfs/dbraw/zinc/31/29/45/700312945.db2.gz RHNXPXAHAXERAL-HNNXBMFYSA-N 2 0 335.452 1.333 20 0 EDADRP CC1([NH2+]C[C@H]2CCOC2)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000940174039 700328844 /nfs/dbraw/zinc/32/88/44/700328844.db2.gz MBWBVRKDPOTWKQ-QGZVFWFLSA-N 2 0 349.519 1.870 20 0 EDADRP Cn1ccnc1C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000940296667 700468821 /nfs/dbraw/zinc/46/88/21/700468821.db2.gz SDDLZQGDEUZDJA-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP O=C(N[C@H]1CC[C@H](C[NH2+]Cc2cncc(F)c2)C1)C12CC[NH+](CC1)C2 ZINC000995169213 701646668 /nfs/dbraw/zinc/64/66/68/701646668.db2.gz RKPABGROTAGSML-YOEHRIQHSA-N 2 0 346.450 1.691 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)c(C)o1 ZINC000940327987 700505764 /nfs/dbraw/zinc/50/57/64/700505764.db2.gz BVSZJLXHCLXISI-BBRMVZONSA-N 2 0 348.491 1.960 20 0 EDADRP Cc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)nc1 ZINC000940328400 700507043 /nfs/dbraw/zinc/50/70/43/700507043.db2.gz IUDKKQUIUUOXKT-HZPDHXFCSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329205 700508673 /nfs/dbraw/zinc/50/86/73/700508673.db2.gz RKJVPANVKGBRKU-GXTWGEPZSA-N 2 0 337.493 1.207 20 0 EDADRP CC1([NH2+]Cc2csnn2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000940427244 700621581 /nfs/dbraw/zinc/62/15/81/700621581.db2.gz FCJQLWVVTSVEHD-UHFFFAOYSA-N 2 0 335.477 1.105 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)co1 ZINC000940427771 700621824 /nfs/dbraw/zinc/62/18/24/700621824.db2.gz NBUBDQFTFRVXDS-UHFFFAOYSA-N 2 0 332.448 1.550 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940457654 700661533 /nfs/dbraw/zinc/66/15/33/700661533.db2.gz ONEFRRGEQASZIL-OAHLLOKOSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1ncccc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000940461997 700665471 /nfs/dbraw/zinc/66/54/71/700665471.db2.gz VUWOVUNHZQFSQQ-QGZVFWFLSA-N 2 0 330.476 1.812 20 0 EDADRP CC1([NH2+]Cc2nnc(C3CC3)o2)CCN(C(=O)Cn2ccnc2)CC1 ZINC000940482725 700670766 /nfs/dbraw/zinc/67/07/66/700670766.db2.gz NOPMWPBUJOZRBO-UHFFFAOYSA-N 2 0 344.419 1.314 20 0 EDADRP Cc1ncoc1C[NH+]1CC[C@@H](NC(=O)[C@H]2CCC[N@H+]2C)C(C)(C)C1 ZINC000940625897 700788106 /nfs/dbraw/zinc/78/81/06/700788106.db2.gz WSULEOZOJLHODL-GDBMZVCRSA-N 2 0 334.464 1.794 20 0 EDADRP Cn1cc(CC[N@@H+]2CC[C@@H](NC(=O)[C@@H]3CCC[NH+]3C)C(C)(C)C2)cn1 ZINC000940617502 700799338 /nfs/dbraw/zinc/79/93/38/700799338.db2.gz KZWYJLWJXRVORA-DLBZAZTESA-N 2 0 347.507 1.274 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[NH+](Cc3ccnn3C)CC2(C)C)CC[N@@H+]1C ZINC000940756572 700892078 /nfs/dbraw/zinc/89/20/78/700892078.db2.gz CAZZQBFASDWRSC-OIISXLGYSA-N 2 0 347.507 1.477 20 0 EDADRP Cc1c(C(=O)N[C@@H]2CC[N@@H+](C[C@@H](C)O)CC2(C)C)ccc2c[nH+]cn21 ZINC000940852799 700952904 /nfs/dbraw/zinc/95/29/04/700952904.db2.gz FJNGIJFURHMWMI-CXAGYDPISA-N 2 0 344.459 1.854 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C2CC2)[NH+]2CCCC2)C(C)(C)C1 ZINC000940918105 700995649 /nfs/dbraw/zinc/99/56/49/700995649.db2.gz KSYIPBRPRWZVDI-SJORKVTESA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](CCn3cccn3)CC2(C)C)CC1 ZINC000940993550 701029492 /nfs/dbraw/zinc/02/94/92/701029492.db2.gz LPXVRYFTJPVXFK-QGZVFWFLSA-N 2 0 347.507 1.442 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999167555 706594447 /nfs/dbraw/zinc/59/44/47/706594447.db2.gz ASVFCIKUBREZKJ-ROUUACIJSA-N 2 0 342.487 1.812 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1)OC ZINC000941221130 701411366 /nfs/dbraw/zinc/41/13/66/701411366.db2.gz LRIHDLSTTHXVCM-CVEARBPZSA-N 2 0 325.497 1.724 20 0 EDADRP CC1(C)C[N@H+](CC[C@@H]2CCCO2)CC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000941221230 701411954 /nfs/dbraw/zinc/41/19/54/701411954.db2.gz NWRBTQHSZLYAQG-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC[C@H]([NH2+]Cc2cccnc2)C1 ZINC000999171208 706601640 /nfs/dbraw/zinc/60/16/40/706601640.db2.gz URQFZXULABFZDJ-ZWKOTPCHSA-N 2 0 328.460 1.504 20 0 EDADRP Cc1ncccc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC000999172049 706602793 /nfs/dbraw/zinc/60/27/93/706602793.db2.gz YYOGATDHTULBQY-MOPGFXCFSA-N 2 0 342.487 1.812 20 0 EDADRP COc1ccc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)C2)cc1 ZINC001031976349 701959604 /nfs/dbraw/zinc/95/96/04/701959604.db2.gz JJUSWNCCBKJGHP-KXBFYZLASA-N 2 0 345.487 1.483 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2(C)C)cn1 ZINC000995817853 702133909 /nfs/dbraw/zinc/13/39/09/702133909.db2.gz AOXCLWCPNIUJAJ-IRXDYDNUSA-N 2 0 345.491 1.089 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+](CCCc3cccc(F)c3)C2)C1 ZINC001032182108 702183948 /nfs/dbraw/zinc/18/39/48/702183948.db2.gz FEAGRCHGMRILNT-QGZVFWFLSA-N 2 0 333.451 1.758 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1)C1CC1 ZINC000995890467 702232010 /nfs/dbraw/zinc/23/20/10/702232010.db2.gz BHPPZXCHHVMLTG-HOTGVXAUSA-N 2 0 333.480 1.050 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CCc2cnn(C)c2)C1 ZINC000999223706 706657469 /nfs/dbraw/zinc/65/74/69/706657469.db2.gz NKKSXVYKRWYDPR-UHFFFAOYSA-N 2 0 347.507 1.416 20 0 EDADRP Cc1oncc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995982926 702343104 /nfs/dbraw/zinc/34/31/04/702343104.db2.gz QQAUQCIRZIFKCM-JKSUJKDBSA-N 2 0 334.464 1.794 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)[C@H](C)C2)cn1 ZINC000944167598 702406947 /nfs/dbraw/zinc/40/69/47/702406947.db2.gz FLNNMQDNSRRNJI-RHSMWYFYSA-N 2 0 343.475 1.207 20 0 EDADRP C[C@@H]1C[N@H+](CCC(F)(F)F)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000944169660 702411679 /nfs/dbraw/zinc/41/16/79/702411679.db2.gz PCSODHJDLAGIHE-CHWSQXEVSA-N 2 0 333.398 1.861 20 0 EDADRP CC(C)N1CCO[C@@H](C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)C1 ZINC000996186704 702590842 /nfs/dbraw/zinc/59/08/42/702590842.db2.gz IXOKSRGFWKLLSN-IAGOWNOFSA-N 2 0 337.508 1.722 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC000996299980 702691054 /nfs/dbraw/zinc/69/10/54/702691054.db2.gz HWRMZMLIUATSMW-YJBOKZPZSA-N 2 0 347.503 1.612 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)no1 ZINC000996478110 702809780 /nfs/dbraw/zinc/80/97/80/702809780.db2.gz OYHDGYJKQVWNIA-YJBOKZPZSA-N 2 0 346.475 1.938 20 0 EDADRP O=C([C@@H]1C[C@H]2CCCC[N@@H+]2C1)N1CCC([NH2+]Cc2cnon2)CC1 ZINC000996500917 702839955 /nfs/dbraw/zinc/83/99/55/702839955.db2.gz ICTPSHHBDZKKPC-CZUORRHYSA-N 2 0 333.436 1.025 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H](NCc3nccs3)C(C)(C)C2)C1 ZINC000996517742 702852908 /nfs/dbraw/zinc/85/29/08/702852908.db2.gz GSUIGHVDISEZMS-ZIAGYGMSSA-N 2 0 336.505 1.812 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CN(C(=O)C34CC[NH+](CC3)C4)CC2(C)C)C1 ZINC000996521669 702857112 /nfs/dbraw/zinc/85/71/12/702857112.db2.gz TVBQUUAIQXAGEY-OFLPRAFFSA-N 2 0 349.519 1.724 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]Cc3cccnc3)C(C)(C)C2)C1 ZINC000996522040 702857552 /nfs/dbraw/zinc/85/75/52/702857552.db2.gz XLJDTTQYEVXIQN-WBVHZDCISA-N 2 0 330.476 1.750 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)n1 ZINC000996561024 702875022 /nfs/dbraw/zinc/87/50/22/702875022.db2.gz NKJBTPZPKDVYRV-QGZVFWFLSA-N 2 0 343.475 1.207 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC([NH2+]Cc2nccs2)CC1 ZINC000996562101 702876196 /nfs/dbraw/zinc/87/61/96/702876196.db2.gz SJLQZWOXIMXMNG-HNNXBMFYSA-N 2 0 334.489 1.566 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000996560544 702878898 /nfs/dbraw/zinc/87/88/98/702878898.db2.gz JQDWNWJMXBTTTA-INIZCTEOSA-N 2 0 348.516 1.874 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@H]1CCC[NH+](CC(N)=O)CC1 ZINC000948439144 702902585 /nfs/dbraw/zinc/90/25/85/702902585.db2.gz ILSPQQSIRYXAGA-JKSUJKDBSA-N 2 0 338.496 1.048 20 0 EDADRP CN(C(=O)[C@H]1CCC[NH+]1C1CCCC1)[C@H]1CCC[N@H+](CCO)CC1 ZINC000948439524 702905866 /nfs/dbraw/zinc/90/58/66/702905866.db2.gz QYQNSDYFZRSMHH-FUHWJXTLSA-N 2 0 337.508 1.699 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH2+][C@@H](C)c2ncccn2)CC1 ZINC000996643636 702946402 /nfs/dbraw/zinc/94/64/02/702946402.db2.gz DBPNYBVFKRNPON-RDJZCZTQSA-N 2 0 345.491 1.993 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2cc(C)ncn2)CC1 ZINC000996664469 702966889 /nfs/dbraw/zinc/96/68/89/702966889.db2.gz WIQACPMFFPBGFN-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)c1 ZINC000996665685 702968139 /nfs/dbraw/zinc/96/81/39/702968139.db2.gz OQUAFGYBSZZNLB-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996685829 702983570 /nfs/dbraw/zinc/98/35/70/702983570.db2.gz BAKRPHYPZVRNTE-MRXNPFEDSA-N 2 0 333.480 1.375 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996685906 702983635 /nfs/dbraw/zinc/98/36/35/702983635.db2.gz BKQRALXVNXBLHU-AEFFLSMTSA-N 2 0 337.508 1.868 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996685912 702983656 /nfs/dbraw/zinc/98/36/56/702983656.db2.gz BKQRALXVNXBLHU-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1ncc(C[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@H+]3C)CC2)cn1 ZINC000996686951 702984366 /nfs/dbraw/zinc/98/43/66/702984366.db2.gz DOPYFKVQHWULSJ-SFHVURJKSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+](C(C)C)CCO1 ZINC000355117868 703004503 /nfs/dbraw/zinc/00/45/03/703004503.db2.gz JUFYFMNALFLZPL-DLBZAZTESA-N 2 0 325.497 1.722 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1)[NH+](C)C ZINC000996710883 703005356 /nfs/dbraw/zinc/00/53/56/703005356.db2.gz GQFAYDLDQVTNJA-QGZVFWFLSA-N 2 0 333.480 1.250 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2nccn2C(F)F)CC1)[NH+](C)C ZINC000996714503 703009374 /nfs/dbraw/zinc/00/93/74/703009374.db2.gz BFYHXSGBKFMEFL-CYBMUJFWSA-N 2 0 343.422 1.699 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000996723480 703018575 /nfs/dbraw/zinc/01/85/75/703018575.db2.gz NHIVDDKNDYYBLQ-KRWDZBQOSA-N 2 0 331.464 1.350 20 0 EDADRP C[C@H](O)C[NH2+]C1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC000996752912 703042235 /nfs/dbraw/zinc/04/22/35/703042235.db2.gz QTSXVVXJZFVNBD-AWEZNQCLSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H]([NH2+]C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1)c1ncccn1 ZINC000996765997 703057409 /nfs/dbraw/zinc/05/74/09/703057409.db2.gz JOWPTIORPMEPFD-OAHLLOKOSA-N 2 0 343.475 1.747 20 0 EDADRP C[C@H]1C[N@H+](CCn2cccn2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942594550 703107169 /nfs/dbraw/zinc/10/71/69/703107169.db2.gz KNPVZWQIUQHZSR-DOTOQJQBSA-N 2 0 333.480 1.052 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)s1 ZINC000996945938 703214774 /nfs/dbraw/zinc/21/47/74/703214774.db2.gz LELUEBZHHSPEOQ-UHFFFAOYSA-N 2 0 336.505 1.874 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)cn1 ZINC000996947061 703216729 /nfs/dbraw/zinc/21/67/29/703216729.db2.gz RLXOCHGFRDIACC-UHFFFAOYSA-N 2 0 347.507 1.368 20 0 EDADRP CCn1nncc1CN1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000996981433 703236355 /nfs/dbraw/zinc/23/63/55/703236355.db2.gz VCUSKQHOTPYSTH-PBHICJAKSA-N 2 0 348.495 1.109 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC000997008953 703260937 /nfs/dbraw/zinc/26/09/37/703260937.db2.gz NJVGAYKOKMKRLU-RHSMWYFYSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1ncsc1C[NH2+]C1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000997006341 703263559 /nfs/dbraw/zinc/26/35/59/703263559.db2.gz KZCMIBBKDAHSGB-ZDUSSCGKSA-N 2 0 336.505 1.874 20 0 EDADRP Cn1ccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000997006565 703263825 /nfs/dbraw/zinc/26/38/25/703263825.db2.gz MVPRMMKZCIHABL-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000997008503 703266422 /nfs/dbraw/zinc/26/64/22/703266422.db2.gz MXOZRZGREDDAJR-KBXCAEBGSA-N 2 0 345.491 1.108 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncccn2)CC1 ZINC000997063808 703308585 /nfs/dbraw/zinc/30/85/85/703308585.db2.gz RERRWNANYCTBHD-KRWDZBQOSA-N 2 0 345.491 1.820 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC([NH2+]C[C@@H]3C[C@]34CCOC4)CC2)CC1 ZINC000997116315 703370087 /nfs/dbraw/zinc/37/00/87/703370087.db2.gz WCMISUFIGXJKCP-PXNSSMCTSA-N 2 0 349.519 1.726 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)CC[N@@H+]1C ZINC001032411722 703447406 /nfs/dbraw/zinc/44/74/06/703447406.db2.gz WKEIYTZCNQEAQF-LAVFITLUSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997179573 703463741 /nfs/dbraw/zinc/46/37/41/703463741.db2.gz CHLSEVYBQWUBKD-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997187165 703476573 /nfs/dbraw/zinc/47/65/73/703476573.db2.gz WWWOAQUXERPDHW-HNNXBMFYSA-N 2 0 346.475 1.513 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)cc1 ZINC000997194350 703491628 /nfs/dbraw/zinc/49/16/28/703491628.db2.gz SJYUCEANHAHASX-UHFFFAOYSA-N 2 0 343.471 1.872 20 0 EDADRP C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997275572 703535532 /nfs/dbraw/zinc/53/55/32/703535532.db2.gz WTKVZFXTNXOJBR-NUJGCVRESA-N 2 0 337.508 1.724 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2nnc(C3CC3)s2)CC1 ZINC000997301345 703544714 /nfs/dbraw/zinc/54/47/14/703544714.db2.gz FCGZIIMSQYNBSJ-UHFFFAOYSA-N 2 0 349.504 1.592 20 0 EDADRP Cn1cc(Cl)c(C[NH2+]C2CCN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2)n1 ZINC000997297923 703556091 /nfs/dbraw/zinc/55/60/91/703556091.db2.gz HJUUTHJESUTUDO-GFCCVEGCSA-N 2 0 339.871 1.106 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3c(F)cccc3F)CC2)C1 ZINC000997299029 703556645 /nfs/dbraw/zinc/55/66/45/703556645.db2.gz MMNDWVPLCIATLY-ZDUSSCGKSA-N 2 0 337.414 1.997 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3csc(Cl)n3)CC2)C1 ZINC000997304512 703564173 /nfs/dbraw/zinc/56/41/73/703564173.db2.gz VQQIJQXMKXYDDO-NSHDSACASA-N 2 0 342.896 1.829 20 0 EDADRP CN(C)c1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000997307524 703565822 /nfs/dbraw/zinc/56/58/22/703565822.db2.gz TZZMXYLCJCRTOT-UHFFFAOYSA-N 2 0 345.491 1.324 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccc(C)n2)CC1 ZINC000997365303 703597170 /nfs/dbraw/zinc/59/71/70/703597170.db2.gz RAAMPZQJMRNTOU-QGZVFWFLSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]Cc2cnn(C)c2)CC1)[NH+]1CCCC1 ZINC000997370504 703603025 /nfs/dbraw/zinc/60/30/25/703603025.db2.gz YKYSUGVAIFBLEA-SFHVURJKSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1ncc(C[NH+]2CCC([C@@H](C)NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997420286 703670250 /nfs/dbraw/zinc/67/02/50/703670250.db2.gz FWWKBDHLUIDADU-CZUORRHYSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](Cc2cncn2C)CC1 ZINC000997421801 703670944 /nfs/dbraw/zinc/67/09/44/703670944.db2.gz RZMLQVJJCUHSGW-ZBFHGGJFSA-N 2 0 333.480 1.089 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCOC1)C12CCC[NH+](CCC1)C2 ZINC001032471636 703687162 /nfs/dbraw/zinc/68/71/62/703687162.db2.gz CNEHPIBHVPIUHX-BZSNNMDCSA-N 2 0 347.503 1.574 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@H]2CN(C(=O)[C@H]3CCC[N@@H+]3C)CC2(C)C)o1 ZINC000995551966 703958615 /nfs/dbraw/zinc/95/86/15/703958615.db2.gz PBOHZLFEUFCFQF-ZBFHGGJFSA-N 2 0 348.491 1.966 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001033082183 704137947 /nfs/dbraw/zinc/13/79/47/704137947.db2.gz OUIIFDCNDODQNN-RTBURBONSA-N 2 0 342.487 1.765 20 0 EDADRP CN(C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CC2)C1 ZINC001033090126 704172195 /nfs/dbraw/zinc/17/21/95/704172195.db2.gz FUXWDRTYUFHNAJ-QRVBRYPASA-N 2 0 349.519 1.676 20 0 EDADRP CCCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3C[NH+]4CCC[C@@H]4CO3)CC[C@@H]2C1 ZINC000946597791 704294612 /nfs/dbraw/zinc/29/46/12/704294612.db2.gz KLCDRZOJHWYSIC-FCGDIQPGSA-N 2 0 349.519 1.820 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CC[C@H]2C[NH+](CC3CC3)C[C@H]2CC1 ZINC000946598086 704311352 /nfs/dbraw/zinc/31/13/52/704311352.db2.gz XOMQZCCGVFSJJC-RDGPPVDQSA-N 2 0 347.503 1.430 20 0 EDADRP CCC[N@H+](C)CC(=O)N(C)CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001067635970 704390850 /nfs/dbraw/zinc/39/08/50/704390850.db2.gz DTTPNPDXYAMULT-UHFFFAOYSA-N 2 0 340.512 1.119 20 0 EDADRP O=C([C@@H]1C[NH+]2CCC1CC2)N1CCC([C@@H]2CCC[N@H+]2CCCO)CC1 ZINC001004436655 704411125 /nfs/dbraw/zinc/41/11/25/704411125.db2.gz HBIYEDVTRHYDEF-MOPGFXCFSA-N 2 0 349.519 1.414 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]C2CCOCC2)CC1)[NH+](CC)CC ZINC000922867314 704444511 /nfs/dbraw/zinc/44/45/11/704444511.db2.gz JCHYQOTZTUWHRV-KRWDZBQOSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)CCc3ncc[nH]3)CC2)nc1 ZINC000997739681 704637806 /nfs/dbraw/zinc/63/78/06/704637806.db2.gz XNIRPKNNCKOQBE-UHFFFAOYSA-N 2 0 342.447 1.469 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997785015 704688644 /nfs/dbraw/zinc/68/86/44/704688644.db2.gz RNTLONVZGHJACH-KRWDZBQOSA-N 2 0 348.516 1.813 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2CCC(C[NH2+]Cc3csnn3)CC2)CC[N@@H+]1C ZINC000997786645 704692876 /nfs/dbraw/zinc/69/28/76/704692876.db2.gz UUTIVVMTFLSULF-IUODEOHRSA-N 2 0 337.493 1.207 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH2+]Cc3nnc(C)[nH]3)CC2)CC[N@@H+]1C ZINC000997792423 704700261 /nfs/dbraw/zinc/70/02/61/704700261.db2.gz GONXQKDVZFSQIR-JKSUJKDBSA-N 2 0 348.495 1.172 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000997820906 704739787 /nfs/dbraw/zinc/73/97/87/704739787.db2.gz KKDYJAANLMDHHZ-QGZVFWFLSA-N 2 0 349.479 1.581 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccn(C)n2)CC1 ZINC000997819851 704741037 /nfs/dbraw/zinc/74/10/37/704741037.db2.gz DXHVWAFZKWCJOG-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP CCn1nncc1C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000997822282 704742006 /nfs/dbraw/zinc/74/20/06/704742006.db2.gz ACVBJDLKZXBLTE-UHFFFAOYSA-N 2 0 348.495 1.111 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2csnn2)CC1)C1CCC1 ZINC000997829807 704748376 /nfs/dbraw/zinc/74/83/76/704748376.db2.gz CNNFSUJXLKITJB-UHFFFAOYSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2)nc1 ZINC000997843021 704758768 /nfs/dbraw/zinc/75/87/68/704758768.db2.gz GBLZZIDQYXTZIR-SFHVURJKSA-N 2 0 347.507 1.699 20 0 EDADRP CC[C@H](C(=O)N1CCC(C[NH2+]C[C@@H]2CCCOC2)CC1)[NH+](C)C ZINC000997856308 704764859 /nfs/dbraw/zinc/76/48/59/704764859.db2.gz TUVVFFSFHJVZQQ-DLBZAZTESA-N 2 0 325.497 1.581 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CC[N@@H+](CCC(F)(F)F)C[C@H]1C ZINC000944965640 704836411 /nfs/dbraw/zinc/83/64/11/704836411.db2.gz TVUHJLUVJRANGX-DGCLKSJQSA-N 2 0 332.370 1.971 20 0 EDADRP O=C([C@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC(C[NH2+]CC2CCC2)CC1 ZINC000997930682 705036494 /nfs/dbraw/zinc/03/64/94/705036494.db2.gz OJAFGUPUPCDXTK-QPIRBTGLSA-N 2 0 347.503 1.478 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CCC[N@H+](Cc2cncn2C)CC1 ZINC000997948030 705069105 /nfs/dbraw/zinc/06/91/05/705069105.db2.gz GAXCQQPKCJGJNX-FUHWJXTLSA-N 2 0 347.507 1.717 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998081587 705302378 /nfs/dbraw/zinc/30/23/78/705302378.db2.gz JYLIUYAWGXZSML-ZDUSSCGKSA-N 2 0 337.493 1.351 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@H](C)C3)CC2)cn1 ZINC000998082044 705308706 /nfs/dbraw/zinc/30/87/06/705308706.db2.gz NHHDYLKQFYRJOK-HNNXBMFYSA-N 2 0 345.491 1.455 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998082215 705309347 /nfs/dbraw/zinc/30/93/47/705309347.db2.gz OPEKDOMBKBYXRX-AWEZNQCLSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000998083600 705312784 /nfs/dbraw/zinc/31/27/84/705312784.db2.gz WSKBSMJNUJLUKP-IUODEOHRSA-N 2 0 337.493 1.064 20 0 EDADRP C[C@H]([NH2+]CC1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1nncn1C ZINC000998084097 705314629 /nfs/dbraw/zinc/31/46/29/705314629.db2.gz ZOCRSUWKQSHQBT-CABCVRRESA-N 2 0 348.495 1.189 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)o1 ZINC000998222604 705549241 /nfs/dbraw/zinc/54/92/41/705549241.db2.gz JFNZKUFYCYFORQ-HNNXBMFYSA-N 2 0 346.475 1.968 20 0 EDADRP Cc1noc([C@H](C)[NH2+]CC2CCN(C(=O)Cc3[nH]cnc3C)CC2)n1 ZINC000998243743 705583157 /nfs/dbraw/zinc/58/31/57/705583157.db2.gz IBJLCIPUIQWNJE-LBPRGKRZSA-N 2 0 346.435 1.541 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC000998271650 705651353 /nfs/dbraw/zinc/65/13/53/705651353.db2.gz ANHZLLSTISLACB-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2nonc2C)CC1 ZINC000998288360 705684091 /nfs/dbraw/zinc/68/40/91/705684091.db2.gz UWSANKIBOURQQN-KRWDZBQOSA-N 2 0 349.479 1.581 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2ccnn2C)CC1 ZINC000998288962 705689367 /nfs/dbraw/zinc/68/93/67/705689367.db2.gz YRXRQBSHYQHYJE-SFHVURJKSA-N 2 0 347.507 1.623 20 0 EDADRP Cc1nc(CC[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000998722703 706154114 /nfs/dbraw/zinc/15/41/14/706154114.db2.gz PYBMZEPQNYNFOA-ZBFHGGJFSA-N 2 0 336.505 1.669 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](NCc2coc(C3CC3)n2)C1 ZINC000998734964 706168269 /nfs/dbraw/zinc/16/82/69/706168269.db2.gz YGHJDZBBTXCWTH-GOEBONIOSA-N 2 0 332.448 1.727 20 0 EDADRP Cc1nc(C[NH2+]C2CC(N(C)C(=O)[C@H]3C[NH+]4CCC3CC4)C2)cs1 ZINC000998779853 706221179 /nfs/dbraw/zinc/22/11/79/706221179.db2.gz HGGUIWSXRUGZSC-PREGVCBESA-N 2 0 348.516 1.872 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC([NH2+]Cc2ccc(F)cn2)C1 ZINC000998781809 706222983 /nfs/dbraw/zinc/22/29/83/706222983.db2.gz XGIWPFZQMTWZNA-DAWZGUTISA-N 2 0 346.450 1.642 20 0 EDADRP CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC000998785414 706226100 /nfs/dbraw/zinc/22/61/00/706226100.db2.gz NZDSPGGGAJRJDW-HIEASXQVSA-N 2 0 337.508 1.722 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000998995959 706413781 /nfs/dbraw/zinc/41/37/81/706413781.db2.gz WSUILVQRIDZHKA-DAWZGUTISA-N 2 0 337.508 1.866 20 0 EDADRP COc1ccncc1CC(=O)N(C)C1CC([NH2+]CC[C@@H]2CCOC2)C1 ZINC000998987987 706419637 /nfs/dbraw/zinc/41/96/37/706419637.db2.gz QEDXAMBCIUVRCH-ODIFPOPNSA-N 2 0 347.459 1.638 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999036326 706451008 /nfs/dbraw/zinc/45/10/08/706451008.db2.gz STDSNYAZMWOSOS-VJFUWPCTSA-N 2 0 347.507 1.620 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]C[C@@H]2CCCOC2)C1 ZINC000999320448 706820508 /nfs/dbraw/zinc/82/05/08/706820508.db2.gz WLMXYXXLHUPVRR-OOHWJJMZSA-N 2 0 349.475 1.960 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC000999145800 706559488 /nfs/dbraw/zinc/55/94/88/706559488.db2.gz SVSVKHQZVHHNOR-SJLPKXTDSA-N 2 0 345.491 1.738 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999341599 706853420 /nfs/dbraw/zinc/85/34/20/706853420.db2.gz HURPOAFXCFMVET-UHFFFAOYSA-N 2 0 334.439 1.642 20 0 EDADRP COc1cccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)n1 ZINC000999362423 706876199 /nfs/dbraw/zinc/87/61/99/706876199.db2.gz AMLOQAFXEHZCAR-INIZCTEOSA-N 2 0 346.475 1.655 20 0 EDADRP COc1cccc(C[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CCC[C@@H]3C)C2)n1 ZINC000999398897 706893218 /nfs/dbraw/zinc/89/32/18/706893218.db2.gz AXZIASVLQOYULN-OOHWJJMZSA-N 2 0 346.475 1.654 20 0 EDADRP Cc1cc(C)n(CC[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)n1 ZINC000999407102 706916526 /nfs/dbraw/zinc/91/65/26/706916526.db2.gz DECSMZJXYRMOST-RWBZWWBESA-N 2 0 347.507 1.421 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC(C)(C)C1)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999407856 706917787 /nfs/dbraw/zinc/91/77/87/706917787.db2.gz HJPPIUUQIHIDJW-GTPINHCMSA-N 2 0 337.508 1.724 20 0 EDADRP CC[C@H](C(=O)N1CCC[C@@H]([NH2+]Cc2cccc(C(N)=O)c2)C1)[NH+](C)C ZINC000999489223 707025422 /nfs/dbraw/zinc/02/54/22/707025422.db2.gz IWEFREXJRGJZOS-IAGOWNOFSA-N 2 0 346.475 1.206 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+](CCC3)C4)C2)o1 ZINC000999489766 707025959 /nfs/dbraw/zinc/02/59/59/707025959.db2.gz MREWLJQXSYSRLG-MRXNPFEDSA-N 2 0 346.475 1.940 20 0 EDADRP O=C(N1CCC[C@@H]([NH2+]C[C@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999597971 707100485 /nfs/dbraw/zinc/10/04/85/707100485.db2.gz TYZWGDJDWUTFDA-IAGOWNOFSA-N 2 0 335.492 1.765 20 0 EDADRP Cc1ncc(C[NH2+]C2CC(N(C)C(=O)C[NH+]3CCC(C)CC3)C2)o1 ZINC000999602937 707104485 /nfs/dbraw/zinc/10/44/85/707104485.db2.gz YUQRXWRNOCDEPN-UHFFFAOYSA-N 2 0 334.464 1.794 20 0 EDADRP O=C(c1ccn2c[nH+]cc2c1)N1CCC[C@@H]([NH2+]CC2CCOCC2)C1 ZINC000999610005 707124218 /nfs/dbraw/zinc/12/42/18/707124218.db2.gz MMJJZAXRBDPDKQ-QGZVFWFLSA-N 2 0 342.443 1.955 20 0 EDADRP Cc1nnc(C[NH2+]C2CC(N(C)C(=O)C3CC[NH+](C(C)C)CC3)C2)[nH]1 ZINC000999630690 707156455 /nfs/dbraw/zinc/15/64/55/707156455.db2.gz FOMSEUUDGUITIV-UHFFFAOYSA-N 2 0 348.495 1.313 20 0 EDADRP CN(C(=O)C(C)(C)c1cnc[nH]1)C1CC([NH2+]CCc2ccns2)C1 ZINC000999700830 707230782 /nfs/dbraw/zinc/23/07/82/707230782.db2.gz ZJZGEQWPKRBEKG-UHFFFAOYSA-N 2 0 347.488 1.966 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CCCN(C(=O)CCc2nccn2C)C1 ZINC000999778261 707339204 /nfs/dbraw/zinc/33/92/04/707339204.db2.gz WQYAUIRKOLSCSV-INIZCTEOSA-N 2 0 344.463 1.175 20 0 EDADRP CN(C(=O)[C@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccc(CO)cc2)C1 ZINC001033198117 707459647 /nfs/dbraw/zinc/45/96/47/707459647.db2.gz KSBKZOFXCWFJPV-RTBURBONSA-N 2 0 345.487 1.696 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccc3c(c2)COC3)C1 ZINC000999832303 707463378 /nfs/dbraw/zinc/46/33/78/707463378.db2.gz CSAKYHBHKHBFRB-UHFFFAOYSA-N 2 0 343.471 1.892 20 0 EDADRP CCn1nncc1C[NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000999870358 707512733 /nfs/dbraw/zinc/51/27/33/707512733.db2.gz FRFZYXJMKGCALN-OAHLLOKOSA-N 2 0 348.495 1.253 20 0 EDADRP CC(C)(C(=O)N1CCC[C@H]([NH2+]Cc2cnns2)C1)[NH+]1CCCC1 ZINC000999875632 707522344 /nfs/dbraw/zinc/52/23/44/707522344.db2.gz HOZXPQKDABCFKF-ZDUSSCGKSA-N 2 0 337.493 1.493 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999876985 707524853 /nfs/dbraw/zinc/52/48/53/707524853.db2.gz RALMTPZFFYCAPJ-HZPDHXFCSA-N 2 0 345.491 1.993 20 0 EDADRP Cc1conc1CN[C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004983957 707829952 /nfs/dbraw/zinc/82/99/52/707829952.db2.gz SLJPOUNVWQCCAS-NVXWUHKLSA-N 2 0 346.475 1.938 20 0 EDADRP O=c1[nH]c2cccc(C[NH2+][C@H]3CCN(CCN4CCOCC4)C3)c2o1 ZINC000921747052 707968101 /nfs/dbraw/zinc/96/81/01/707968101.db2.gz LLFGXNHZDCPHQB-HNNXBMFYSA-N 2 0 346.431 1.030 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CNc2ccnc(C)n2)C1 ZINC001061014315 708175316 /nfs/dbraw/zinc/17/53/16/708175316.db2.gz LDWHTXXXTZJDCS-CVEARBPZSA-N 2 0 331.464 1.920 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@@H](O)C2CCCCC2)C1 ZINC001033591455 708289266 /nfs/dbraw/zinc/28/92/66/708289266.db2.gz CGOCARAXSSZOSY-QZTJIDSGSA-N 2 0 349.519 1.556 20 0 EDADRP CN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](CCO[C@H]2CC2(F)F)C1 ZINC001033595428 708299333 /nfs/dbraw/zinc/29/93/33/708299333.db2.gz TZTXPPYCVNNGDK-KBPBESRZSA-N 2 0 343.418 1.039 20 0 EDADRP CN(C)c1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033658139 708424856 /nfs/dbraw/zinc/42/48/56/708424856.db2.gz PQKXWVGYHJFVOF-SFHVURJKSA-N 2 0 344.503 1.881 20 0 EDADRP CN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC001033663692 708444402 /nfs/dbraw/zinc/44/44/02/708444402.db2.gz YAERQLVZZVCOCB-DOTOQJQBSA-N 2 0 349.450 1.689 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1)C1CCCC1 ZINC001033659895 708472400 /nfs/dbraw/zinc/47/24/00/708472400.db2.gz ZOSASEZWJZLSHQ-ROUUACIJSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033685025 708498271 /nfs/dbraw/zinc/49/82/71/708498271.db2.gz RLICTDVRPDGCDF-HKUYNNGSSA-N 2 0 345.487 1.931 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC001002127461 708643591 /nfs/dbraw/zinc/64/35/91/708643591.db2.gz ROECLFXALPFKFC-INIZCTEOSA-N 2 0 334.464 1.571 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCC2CC[NH+](CCC[C@@H]3CCOC3)CC2)C1 ZINC001002128810 708645664 /nfs/dbraw/zinc/64/56/64/708645664.db2.gz ZQFFZIUYVJJVFW-MSOLQXFVSA-N 2 0 337.508 1.583 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+]([C@H](C)COC)CC1 ZINC001002156014 708670768 /nfs/dbraw/zinc/67/07/68/708670768.db2.gz FJLVRBCOAQRZQT-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001002157661 708672091 /nfs/dbraw/zinc/67/20/91/708672091.db2.gz KXWWRZOSOXNOAN-NVXWUHKLSA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001005395578 708876296 /nfs/dbraw/zinc/87/62/96/708876296.db2.gz ANYJTHDXJTUPDM-KRWDZBQOSA-N 2 0 346.475 1.748 20 0 EDADRP CC(C)CC[NH+]1CCC(N(C)C(=O)[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC001005425443 708947013 /nfs/dbraw/zinc/94/70/13/708947013.db2.gz OSQJDWUWNXPKQK-ZWKOTPCHSA-N 2 0 337.508 1.819 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C)CC1)C1CCCC1 ZINC001002472638 709005698 /nfs/dbraw/zinc/00/56/98/709005698.db2.gz CKMBEGFROQOMCG-ROUUACIJSA-N 2 0 337.508 1.866 20 0 EDADRP CCN(C(=O)c1ccc2c[nH+]cn2c1)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033896196 709013962 /nfs/dbraw/zinc/01/39/62/709013962.db2.gz CILGYOLAHPMOLX-MAUKXSAKSA-N 2 0 342.443 1.907 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](Cc2cncc(C)c2)C1 ZINC001034011881 709225128 /nfs/dbraw/zinc/22/51/28/709225128.db2.gz AISGONYPKASIBW-GOSISDBHSA-N 2 0 342.487 1.909 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC001005499043 709275073 /nfs/dbraw/zinc/27/50/73/709275073.db2.gz XHAHGZCOGANXPK-IRXDYDNUSA-N 2 0 339.524 1.922 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCOCC2)C1 ZINC001034130560 709399771 /nfs/dbraw/zinc/39/97/71/709399771.db2.gz IOYPKACSALIMJE-ZWKOTPCHSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1cc(C[NH+]2CCC(NC(=O)[C@@H]3C[C@H]4CCCC[N@@H+]4C3)CC2)cn1 ZINC001002801547 709415856 /nfs/dbraw/zinc/41/58/56/709415856.db2.gz JIWNGYQTISPDJG-SJLPKXTDSA-N 2 0 345.491 1.375 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002832097 709443135 /nfs/dbraw/zinc/44/31/35/709443135.db2.gz JFKZWJWZZCCTGO-GOSISDBHSA-N 2 0 345.491 1.151 20 0 EDADRP Cc1conc1CN1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001002834992 709450751 /nfs/dbraw/zinc/45/07/51/709450751.db2.gz VRUSPINHGUZKHF-MRXNPFEDSA-N 2 0 332.448 1.405 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCOCC2)CC1 ZINC001002953740 709653740 /nfs/dbraw/zinc/65/37/40/709653740.db2.gz BZARBVDZTKIKSP-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C[C@@H](CC)OC)CC1 ZINC001002956080 709658600 /nfs/dbraw/zinc/65/86/00/709658600.db2.gz PUZOBDLETUWKCO-IAGOWNOFSA-N 2 0 325.497 1.866 20 0 EDADRP COC[C@H](C)[NH+]1CCC(NC(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001003011139 709783281 /nfs/dbraw/zinc/78/32/81/709783281.db2.gz MNENZOYSAPZGQI-RDJZCZTQSA-N 2 0 325.497 1.865 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CCCC[N@H+](CCn3cccn3)C2)CC1 ZINC001034462890 710031953 /nfs/dbraw/zinc/03/19/53/710031953.db2.gz PPYGZHJSLAZYDK-SFHVURJKSA-N 2 0 347.507 1.586 20 0 EDADRP Cc1nc(C)c(C[NH+]2CCCC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)C2)o1 ZINC001034525839 710176706 /nfs/dbraw/zinc/17/67/06/710176706.db2.gz QHIISEMGUWUPAX-HOTGVXAUSA-N 2 0 334.464 1.714 20 0 EDADRP COc1ccnc(CN2CCC(NC(=O)Cn3cncc3C)CC2)c1 ZINC001003311747 710240548 /nfs/dbraw/zinc/24/05/48/710240548.db2.gz GDAKDPTZEZDSAL-UHFFFAOYSA-N 2 0 343.431 1.376 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCC(CO)CC2)cc1 ZINC000922164943 710317367 /nfs/dbraw/zinc/31/73/67/710317367.db2.gz TUWGKQJVVUTRFL-LJQANCHMSA-N 2 0 345.487 1.715 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2ncnn2C)CC1 ZINC001034643033 710318998 /nfs/dbraw/zinc/31/89/98/710318998.db2.gz NNLVHVQFOVWRHO-JYJNAYRXSA-N 2 0 348.495 1.205 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC001003519067 710396200 /nfs/dbraw/zinc/39/62/00/710396200.db2.gz ZJUXHMTWYYMNRZ-OAHLLOKOSA-N 2 0 349.475 1.962 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](CCOC3CCC3)CC2)C1 ZINC001003629794 710459423 /nfs/dbraw/zinc/45/94/23/710459423.db2.gz DGDADKBVDJIMBN-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)NC2CC[NH+](CC[C@H]3CCOC3)CC2)C1 ZINC001003632394 710460992 /nfs/dbraw/zinc/46/09/92/710460992.db2.gz ZMJVUGXESPCPCC-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+][C@@H](CC)C(N)=O)CC1 ZINC001034659663 710588856 /nfs/dbraw/zinc/58/88/56/710588856.db2.gz WWBDWUHAWGRBCP-VGWMRTNUSA-N 2 0 338.496 1.142 20 0 EDADRP C[C@@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccn(-c3cc[nH+]cc3)n2)CC1 ZINC001034689455 710754182 /nfs/dbraw/zinc/75/41/82/710754182.db2.gz KUDZCCHNIXSVDP-RBSFLKMASA-N 2 0 343.431 1.279 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC2CCC2)CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001034693221 710783527 /nfs/dbraw/zinc/78/35/27/710783527.db2.gz CLDDFSDDVSUGQW-VIYSVWJJSA-N 2 0 347.503 1.667 20 0 EDADRP Cn1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)CC2)n1 ZINC001034703605 710812841 /nfs/dbraw/zinc/81/28/41/710812841.db2.gz DEZJNDPHFLYIQL-SHTZXODSSA-N 2 0 348.495 1.207 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC001034734459 710916345 /nfs/dbraw/zinc/91/63/45/710916345.db2.gz OWVWQNFPNVSEOV-JQFCIGGWSA-N 2 0 334.464 1.842 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]Cc2nccn2C)CC1 ZINC001034734983 710918418 /nfs/dbraw/zinc/91/84/18/710918418.db2.gz CZJDSVNPQBUVQV-BZUAXINKSA-N 2 0 333.480 1.421 20 0 EDADRP CCc1nocc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034736692 710924098 /nfs/dbraw/zinc/92/40/98/710924098.db2.gz AGKRBOFRICYPOH-HJWJTTGWSA-N 2 0 348.491 1.952 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738873 710932069 /nfs/dbraw/zinc/93/20/69/710932069.db2.gz WXUGHYVBMCWRLF-NGFQHRJXSA-N 2 0 335.452 1.093 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC001034737563 710950305 /nfs/dbraw/zinc/95/03/05/710950305.db2.gz MPEUNPMMVVXIIM-OCVGTWLNSA-N 2 0 349.479 1.940 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC001034737569 710950346 /nfs/dbraw/zinc/95/03/46/710950346.db2.gz MUBPCPZGWWTQMI-LUKYLMHMSA-N 2 0 347.507 1.618 20 0 EDADRP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CCn3cncn3)CC2)CC1 ZINC001034748386 710955059 /nfs/dbraw/zinc/95/50/59/710955059.db2.gz QVKSTGSOKYIQAA-QAQDUYKDSA-N 2 0 348.495 1.027 20 0 EDADRP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H](C)O)CC1 ZINC001034749237 710956360 /nfs/dbraw/zinc/95/63/60/710956360.db2.gz IVZSUBHINOEWGG-VQHPVUNQSA-N 2 0 325.497 1.647 20 0 EDADRP Cn1nncc1C[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001034747613 710974324 /nfs/dbraw/zinc/97/43/24/710974324.db2.gz HEONQOLTODPHCA-WKILWMFISA-N 2 0 348.495 1.064 20 0 EDADRP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H]([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC001034762746 711000597 /nfs/dbraw/zinc/00/05/97/711000597.db2.gz IOEBIDNBBOWAKJ-BZSNNMDCSA-N 2 0 337.508 1.772 20 0 EDADRP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)c2c[nH+]ccc2N(C)C)CC1)C(N)=O ZINC001034777041 711055072 /nfs/dbraw/zinc/05/50/72/711055072.db2.gz DRKLJFLURLPWJL-UMVBOHGHSA-N 2 0 347.463 1.042 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]Cc2cncs2)CC1)C12CC[NH+](CC1)C2 ZINC001034777408 711056541 /nfs/dbraw/zinc/05/65/41/711056541.db2.gz KBLGUKYXBCENRU-HDJSIYSDSA-N 2 0 334.489 1.756 20 0 EDADRP CCn1c(C)nnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001034795309 711113818 /nfs/dbraw/zinc/11/38/18/711113818.db2.gz ZRYUDTFSIPQESC-WKILWMFISA-N 2 0 348.495 1.219 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)ncn1 ZINC001034793426 711118357 /nfs/dbraw/zinc/11/83/57/711118357.db2.gz DBRWQCWBQODMSE-WKILWMFISA-N 2 0 331.464 1.398 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CC[N@@H+](C)C3)CC2)c(C)o1 ZINC001034792734 711120965 /nfs/dbraw/zinc/12/09/65/711120965.db2.gz MXVITIPIAUKJPS-JYJNAYRXSA-N 2 0 334.464 1.760 20 0 EDADRP C[C@@H]1C[C@H](C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC001034793889 711124952 /nfs/dbraw/zinc/12/49/52/711124952.db2.gz TWYWUSYTBTZKGK-BRSBDYLESA-N 2 0 337.508 1.914 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001003984554 711187407 /nfs/dbraw/zinc/18/74/07/711187407.db2.gz FWQWMZDNKYDRAE-GOSISDBHSA-N 2 0 349.519 1.604 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@H]3CCOC3)cc2)C1 ZINC001034831954 711238405 /nfs/dbraw/zinc/23/84/05/711238405.db2.gz GRWFWBXIPXFEPR-MSOLQXFVSA-N 2 0 331.460 1.381 20 0 EDADRP Cc1nsc(C)c1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C ZINC001034883355 711285799 /nfs/dbraw/zinc/28/57/99/711285799.db2.gz RLYMPIMDSKHCMP-GDBMZVCRSA-N 2 0 336.505 1.935 20 0 EDADRP Cc1nc(CC[NH+]2CCC(NC(=O)C[NH+]3CCCC3)CC2)cs1 ZINC001004148671 711561961 /nfs/dbraw/zinc/56/19/61/711561961.db2.gz VJSARMUVSKXJAB-UHFFFAOYSA-N 2 0 336.505 1.670 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)NC[C@@H]1CC[NH+]1C1CCOCC1 ZINC000922510221 711639907 /nfs/dbraw/zinc/63/99/07/711639907.db2.gz LHDVJISKADXAGC-RDJZCZTQSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001004524060 711924070 /nfs/dbraw/zinc/92/40/70/711924070.db2.gz QVXNFGLJJUKINI-QAPCUYQASA-N 2 0 337.508 1.412 20 0 EDADRP CO[C@H](C)C[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCC[NH+]3C)CC[C@@H]2C1 ZINC000946645031 712153634 /nfs/dbraw/zinc/15/36/34/712153634.db2.gz NGWGJTWZLYJOCU-BDXSIMOUSA-N 2 0 337.508 1.676 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@H]([NH+]3CCCC3)C2)ccn1 ZINC000136979171 282109744 /nfs/dbraw/zinc/10/97/44/282109744.db2.gz HBVPUCJEOOFGIW-KRWDZBQOSA-N 2 0 346.475 1.722 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO ZINC000455231166 282114445 /nfs/dbraw/zinc/11/44/45/282114445.db2.gz QOKAQQISKAXEMH-KRWDZBQOSA-N 2 0 348.491 1.759 20 0 EDADRP COc1cc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CCO)CC2)ccn1 ZINC000559894908 306259616 /nfs/dbraw/zinc/25/96/16/306259616.db2.gz NTSFZRQCMHENFP-MRXNPFEDSA-N 2 0 336.480 1.131 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)CS(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000090769957 539409148 /nfs/dbraw/zinc/40/91/48/539409148.db2.gz FOTLJXMGCPXUMK-OCCSQVGLSA-N 2 0 346.518 1.203 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](Nc3ccccc3)C2)CC1 ZINC000103481065 219304030 /nfs/dbraw/zinc/30/40/30/219304030.db2.gz DEALGDJALARKMG-GOSISDBHSA-N 2 0 330.476 1.773 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)C[NH+](C)C ZINC000364086242 299164037 /nfs/dbraw/zinc/16/40/37/299164037.db2.gz JHKHGHCFUNLWQD-KKUMJFAQSA-N 2 0 326.485 1.125 20 0 EDADRP O=C(CCc1c[nH]cn1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000276546304 540061550 /nfs/dbraw/zinc/06/15/50/540061550.db2.gz GYCXJDAMUYYQOX-QGZVFWFLSA-N 2 0 328.416 1.225 20 0 EDADRP Cn1cncc1C[NH2+][C@@H](Cc1ccc(C(F)(F)F)cc1)C(N)=O ZINC000290477660 540089563 /nfs/dbraw/zinc/08/95/63/540089563.db2.gz BBPFDPYEDKHZNC-ZDUSSCGKSA-N 2 0 326.322 1.625 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183633968 235174190 /nfs/dbraw/zinc/17/41/90/235174190.db2.gz GOBFALZWOLCNIS-UHFFFAOYSA-N 2 0 333.480 1.151 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000418752885 295910014 /nfs/dbraw/zinc/91/00/14/295910014.db2.gz UQLNWZVYQIQIBY-KGLIPLIRSA-N 2 0 330.423 1.644 20 0 EDADRP Cc1cc(NC(=O)N[C@H]2CC[NH2+]CC2(C)C)n(C2CC[NH+](C)CC2)n1 ZINC000563464849 306334867 /nfs/dbraw/zinc/33/48/67/306334867.db2.gz JQSBPDZKLLDJPI-HNNXBMFYSA-N 2 0 348.495 1.968 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000077622387 138253576 /nfs/dbraw/zinc/25/35/76/138253576.db2.gz QDSSFBWYNMKZBV-RDJZCZTQSA-N 2 0 338.496 1.223 20 0 EDADRP C[C@@H](CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000563561396 306339105 /nfs/dbraw/zinc/33/91/05/306339105.db2.gz JBMYGCBMAPPJGT-RVKKMQEKSA-N 2 0 330.476 1.730 20 0 EDADRP CC[NH+]1CCN(Cc2cccc(CN3CC[NH+](CC)CC3)c2)CC1 ZINC000096969159 138296321 /nfs/dbraw/zinc/29/63/21/138296321.db2.gz GKTTZFZXBLEVGW-UHFFFAOYSA-N 2 0 330.520 1.962 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000563586528 306340188 /nfs/dbraw/zinc/34/01/88/306340188.db2.gz QCIZBDLBJRZLIR-CVEARBPZSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000116521516 138311887 /nfs/dbraw/zinc/31/18/87/138311887.db2.gz XEGOLYOHBOKQQZ-QAPCUYQASA-N 2 0 345.491 1.685 20 0 EDADRP CCOC(=O)CC1CC[NH+](CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000125089731 138332064 /nfs/dbraw/zinc/33/20/64/138332064.db2.gz KIWCJYOGTWZXOV-UHFFFAOYSA-N 2 0 339.480 1.252 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCCCCO)CC1 ZINC000130694733 138345794 /nfs/dbraw/zinc/34/57/94/138345794.db2.gz JDWFEUYKRVYKDX-UHFFFAOYSA-N 2 0 327.513 1.565 20 0 EDADRP NC(=O)C[C@@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@H]1CC(N)=O ZINC000339137991 283291806 /nfs/dbraw/zinc/29/18/06/283291806.db2.gz YBKKOWSJJBNHTL-DKLOGILVSA-N 2 0 336.480 1.002 20 0 EDADRP OCC1([NH2+]CCCC[NH2+]C2(CO)CCSCC2)CCSCC1 ZINC000563954368 306353175 /nfs/dbraw/zinc/35/31/75/306353175.db2.gz CKSNTHSWVDRSLG-UHFFFAOYSA-N 2 0 348.578 1.462 20 0 EDADRP CCC[NH+]1CCN(C2CCN(C(=O)C[N@H+](CC)C3CC3)CC2)CC1 ZINC000363529077 283347048 /nfs/dbraw/zinc/34/70/48/283347048.db2.gz FTEGHEZOKYBEBF-UHFFFAOYSA-N 2 0 336.524 1.489 20 0 EDADRP COc1cc2c(cc1CN(CC[NH+](C)C)CC[NH+](C)C)O[C@H](C)C2 ZINC000564316148 306357929 /nfs/dbraw/zinc/35/79/29/306357929.db2.gz WYKRPASLEAWOGV-OAHLLOKOSA-N 2 0 335.492 1.944 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](CC)C2)CC[N@@H+]1CCOC ZINC000413833396 304079453 /nfs/dbraw/zinc/07/94/53/304079453.db2.gz IRRKTMNTAKFFBS-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)N2CCN(C3C[C@H]4CC[C@@H](C3)[NH+]4C)CC2)C1 ZINC000413842707 304080206 /nfs/dbraw/zinc/08/02/06/304080206.db2.gz PTYXEMPBIBMOBC-XNHLSEOASA-N 2 0 349.523 1.033 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000564785302 306364628 /nfs/dbraw/zinc/36/46/28/306364628.db2.gz VXGHIPQWICFPQR-HNNXBMFYSA-N 2 0 330.432 1.041 20 0 EDADRP COc1ccc2c(c1)CCC[C@H]2C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000564870599 306367908 /nfs/dbraw/zinc/36/79/08/306367908.db2.gz AHORPIHHNUKSRO-ZWKOTPCHSA-N 2 0 347.503 1.313 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000413987655 304093144 /nfs/dbraw/zinc/09/31/44/304093144.db2.gz YBLCYMLAPWLXAB-FUHWJXTLSA-N 2 0 345.487 1.327 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000565823376 306392191 /nfs/dbraw/zinc/39/21/91/306392191.db2.gz KUOMLFSHNIMXCR-BPQIPLTHSA-N 2 0 330.476 1.773 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000566066474 306397515 /nfs/dbraw/zinc/39/75/15/306397515.db2.gz UQIASTOKEDTJGF-MJGOQNOKSA-N 2 0 344.503 1.261 20 0 EDADRP CC(C)N1C[C@H]([NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1=O ZINC000566091328 306398424 /nfs/dbraw/zinc/39/84/24/306398424.db2.gz YRCDZBFRGQKYKE-ALKREAHSSA-N 2 0 329.444 1.841 20 0 EDADRP CCOc1cccc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c1 ZINC000414484114 304118515 /nfs/dbraw/zinc/11/85/15/304118515.db2.gz NRBQAKMSBRJCMI-UHFFFAOYSA-N 2 0 347.503 1.972 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)CC1 ZINC000414557199 304122005 /nfs/dbraw/zinc/12/20/05/304122005.db2.gz LJXJBKICLNUJKS-UYAOXDASSA-N 2 0 347.503 1.394 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@@H]1C ZINC000354457967 283857045 /nfs/dbraw/zinc/85/70/45/283857045.db2.gz IMRMEWFFYVDYNP-FZMABENVSA-N 2 0 338.492 1.932 20 0 EDADRP CC(C)CCOC1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000414711498 304131182 /nfs/dbraw/zinc/13/11/82/304131182.db2.gz UDFGUEBYIBQVRJ-INIZCTEOSA-N 2 0 325.497 1.711 20 0 EDADRP CCc1ccc([C@H]2C[NH2+]CCN2C[C@H]2CCCN(C(=O)C[NH3+])C2)cc1 ZINC000414731679 304134287 /nfs/dbraw/zinc/13/42/87/304134287.db2.gz HRSWKDRQRZUQGD-IEBWSBKVSA-N 2 0 344.503 1.393 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCC[C@](CO)(c3ccccc3)C2)C1 ZINC000414762997 304138201 /nfs/dbraw/zinc/13/82/01/304138201.db2.gz WVYDXVNAJWBJER-PXNSSMCTSA-N 2 0 345.487 1.210 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@H](C[NH+](C)C)C2)c1 ZINC000414828336 304145762 /nfs/dbraw/zinc/14/57/62/304145762.db2.gz IQNVFRPFMHDDOK-OAHLLOKOSA-N 2 0 332.448 1.145 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@@H]32)cc1 ZINC000415028659 304152052 /nfs/dbraw/zinc/15/20/52/304152052.db2.gz CXCBBAHLPOIOOV-BJJXKVORSA-N 2 0 330.432 1.197 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)c1 ZINC000415065260 304156422 /nfs/dbraw/zinc/15/64/22/304156422.db2.gz MNPKOEGHHCSPGA-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000415095016 304159189 /nfs/dbraw/zinc/15/91/89/304159189.db2.gz YOHUWUAAYDKQNT-QZTJIDSGSA-N 2 0 346.523 1.499 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN2CCCO[C@H](C[NH3+])C2)CC1 ZINC000415100225 304160027 /nfs/dbraw/zinc/16/00/27/304160027.db2.gz ALZIDRQGJOAEGE-GOSISDBHSA-N 3 0 332.492 1.378 20 0 EDADRP C[C@H]1C[C@H](C[NH2+]CC2(N)CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415135053 304163164 /nfs/dbraw/zinc/16/31/64/304163164.db2.gz PLEAVIODJXNAMA-PKOBYXMFSA-N 3 0 330.520 1.958 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)[C@H]2CCC[NH2+]C2)CC1 ZINC000195154549 139008205 /nfs/dbraw/zinc/00/82/05/139008205.db2.gz LCLBNWLIQIGLEC-SFHVURJKSA-N 2 0 344.503 1.440 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)c1 ZINC000415138076 304163470 /nfs/dbraw/zinc/16/34/70/304163470.db2.gz GKYUEXVDVVFYPO-WMLDXEAASA-N 2 0 344.459 1.430 20 0 EDADRP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000236631327 139027212 /nfs/dbraw/zinc/02/72/12/139027212.db2.gz CTCMKFUVCRDZSO-QZTJIDSGSA-N 2 0 331.460 1.258 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000236831553 139032979 /nfs/dbraw/zinc/03/29/79/139032979.db2.gz WLAOTFIBJGBQHV-OAHLLOKOSA-N 2 0 331.464 1.868 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)CCC3CC[NH2+]CC3)CC2)CC1 ZINC000237163971 139042647 /nfs/dbraw/zinc/04/26/47/139042647.db2.gz HRZAIQVKNHYARB-UHFFFAOYSA-N 2 0 336.524 1.441 20 0 EDADRP Cn1cncc1C[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000237206405 139044315 /nfs/dbraw/zinc/04/43/15/139044315.db2.gz MGLBNYCLBPROGY-LJQANCHMSA-N 2 0 327.476 1.889 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000496172475 284349723 /nfs/dbraw/zinc/34/97/23/284349723.db2.gz RTFYFFCEGFWGNQ-BZUAXINKSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@@]1(C(=O)NCCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000237578343 139054702 /nfs/dbraw/zinc/05/47/02/139054702.db2.gz XHTRDPVADDNSIM-HXUWFJFHSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@@H]1CN(Cc2ccc(C(=O)N[C@H]3CCC[NH2+]C3)cc2)C[C@H](C)O1 ZINC000237628807 139056222 /nfs/dbraw/zinc/05/62/22/139056222.db2.gz YTDWIFBSLRNPSR-DAYGRLMNSA-N 2 0 331.460 1.778 20 0 EDADRP C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H](C[NH3+])C3CC3)cc2)C[C@H](C)O1 ZINC000237628425 139056254 /nfs/dbraw/zinc/05/62/54/139056254.db2.gz RYUCVPIQUNQVBK-IYOUNJFTSA-N 2 0 331.460 1.763 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000237980294 139065635 /nfs/dbraw/zinc/06/56/35/139065635.db2.gz CUTJBTBCZDFKEN-IBGZPJMESA-N 2 0 343.471 1.272 20 0 EDADRP C[C@@H](CNC(=O)NCC1CC[NH+](CCO)CC1)[N@@H+]1CCC[C@H](C)C1 ZINC000111817753 220198076 /nfs/dbraw/zinc/19/80/76/220198076.db2.gz KGZTUVATMUUAJX-HOTGVXAUSA-N 2 0 340.512 1.110 20 0 EDADRP C[C@H](C(=O)NCc1ccnc(OCC[NH+](C)C)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245685259 139083032 /nfs/dbraw/zinc/08/30/32/139083032.db2.gz KSVBTYXXLGNEPH-OWCLPIDISA-N 2 0 348.491 1.900 20 0 EDADRP C[C@@H]1OCC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245949707 139090967 /nfs/dbraw/zinc/09/09/67/139090967.db2.gz OZBBZWBIDUWTOD-QGTPRVQTSA-N 2 0 331.460 1.651 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)CC2)CC1 ZINC000567911243 306466373 /nfs/dbraw/zinc/46/63/73/306466373.db2.gz RUGIAOYBFTXGEQ-IBGZPJMESA-N 2 0 344.503 1.042 20 0 EDADRP C[C@H](C(=O)NC[C@H]1COc2ccccc2O1)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246418255 139107631 /nfs/dbraw/zinc/10/76/31/139107631.db2.gz SQXINKYLIJJXLU-PMPSAXMXSA-N 2 0 347.459 1.215 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH2+]C)C2)c1 ZINC000415311645 304191624 /nfs/dbraw/zinc/19/16/24/304191624.db2.gz BIQIOXYVAASJCR-MRXNPFEDSA-N 2 0 332.448 1.287 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[NH2+]C3)ccc21 ZINC000415314533 304192536 /nfs/dbraw/zinc/19/25/36/304192536.db2.gz KBITXSKSBLHTRK-ZBFHGGJFSA-N 2 0 330.432 1.042 20 0 EDADRP CC[N@H+](CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000247016591 139131660 /nfs/dbraw/zinc/13/16/60/139131660.db2.gz XSQZYFHVNFIKGP-HOTGVXAUSA-N 2 0 337.508 1.819 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000415361240 304203897 /nfs/dbraw/zinc/20/38/97/304203897.db2.gz ZEYJQCJUWNTPIN-HNNXBMFYSA-N 2 0 332.448 1.274 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)NC[C@H]3CCC[NH2+]3)ccc21 ZINC000415368725 304206047 /nfs/dbraw/zinc/20/60/47/304206047.db2.gz AUWWROXKLIAWCN-GDBMZVCRSA-N 2 0 330.432 1.042 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CCC[C@H]([NH2+]C)C2)c1 ZINC000415372750 304207181 /nfs/dbraw/zinc/20/71/81/304207181.db2.gz HYKSGFHMCRMVBH-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000424137308 296279934 /nfs/dbraw/zinc/27/99/34/296279934.db2.gz BWYVIEMKWQNSAI-JKSUJKDBSA-N 2 0 346.479 1.293 20 0 EDADRP COC(=O)[C@H](C)C[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000248402733 139162323 /nfs/dbraw/zinc/16/23/23/139162323.db2.gz WFJUEJXMAICOIJ-GDBMZVCRSA-N 2 0 335.448 1.146 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000261603872 139209981 /nfs/dbraw/zinc/20/99/81/139209981.db2.gz AIRMUCJEGRNWHB-HPBDAGMYSA-N 2 0 331.460 1.520 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CC[C@H](C[NH3+])O3)CC2)CC1 ZINC000261864268 139232418 /nfs/dbraw/zinc/23/24/18/139232418.db2.gz SMNLNBDGIVANAX-HIEASXQVSA-N 2 0 337.508 1.852 20 0 EDADRP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000262044847 139246245 /nfs/dbraw/zinc/24/62/45/139246245.db2.gz YYUSSUMHCPFQFT-XUVXKRRUSA-N 2 0 347.503 1.874 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC(CC[NH+](C)C)CC2)cc1 ZINC000414754600 250863300 /nfs/dbraw/zinc/86/33/00/250863300.db2.gz YBXQWXGRINUDOX-UHFFFAOYSA-N 2 0 346.475 1.535 20 0 EDADRP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCN1CC[NH2+]CC1 ZINC000414886554 250876662 /nfs/dbraw/zinc/87/66/62/250876662.db2.gz QBAUQYLRPFSFRM-CYBMUJFWSA-N 2 0 326.282 1.875 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC000414953279 250900062 /nfs/dbraw/zinc/90/00/62/250900062.db2.gz RHKFUIMWTIODPY-DLBZAZTESA-N 2 0 346.475 1.724 20 0 EDADRP O=C1CNCCN1[C@@H]1CCCN(Cc2ccc(F)c(Cl)c2)C1 ZINC000262130875 139253504 /nfs/dbraw/zinc/25/35/04/139253504.db2.gz NUFIWOZZTCQTJC-CYBMUJFWSA-N 2 0 325.815 1.875 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)ccc1C[NH+](C)C ZINC000415775862 251025497 /nfs/dbraw/zinc/02/54/97/251025497.db2.gz HJLQVWWECSEFEY-NVXWUHKLSA-N 2 0 344.459 1.206 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000415949505 251038888 /nfs/dbraw/zinc/03/88/88/251038888.db2.gz CABPTPGTBJDRIX-UHFFFAOYSA-N 2 0 338.427 1.561 20 0 EDADRP C[NH+](C)CCc1ccc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)cc1 ZINC000262263217 139264709 /nfs/dbraw/zinc/26/47/09/139264709.db2.gz MKHWEXWJRCNCKB-UHFFFAOYSA-N 2 0 341.459 1.705 20 0 EDADRP O=C(CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1)N1CC[NH2+]CC1 ZINC000262274100 139265671 /nfs/dbraw/zinc/26/56/71/139265671.db2.gz YQMVUMCANZZBDL-UHFFFAOYSA-N 2 0 348.466 1.155 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2C[C@@H](O)C[NH2+]2)C1 ZINC000262306182 139268650 /nfs/dbraw/zinc/26/86/50/139268650.db2.gz AWAAKYQQDYOHLP-ZTFGCOKTSA-N 2 0 331.460 1.258 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000416987722 251120002 /nfs/dbraw/zinc/12/00/02/251120002.db2.gz KIJYNPMZUKQUGZ-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP CC1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000417010916 251129876 /nfs/dbraw/zinc/12/98/76/251129876.db2.gz QRBYRTURCSSSAC-UHFFFAOYSA-N 2 0 330.476 1.734 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013028 251129985 /nfs/dbraw/zinc/12/99/85/251129985.db2.gz BIACGOWEHHUIKK-INIZCTEOSA-N 2 0 333.480 1.235 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000417011143 251130952 /nfs/dbraw/zinc/13/09/52/251130952.db2.gz REEGKSKUQVGKBW-HDICACEKSA-N 2 0 342.487 1.686 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(N3C[C@H](C)O[C@@H](C)C3)nc2)CC[NH2+]1 ZINC000416997066 251123048 /nfs/dbraw/zinc/12/30/48/251123048.db2.gz XKNDQOCBKCWKQS-KKUMJFAQSA-N 2 0 347.463 1.199 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417000701 251125176 /nfs/dbraw/zinc/12/51/76/251125176.db2.gz ZAVCAIRYRRMLBJ-VQFNDLOPSA-N 2 0 346.475 1.424 20 0 EDADRP C[C@H]1CN(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)CC[NH2+]1 ZINC000417023966 251140055 /nfs/dbraw/zinc/14/00/55/251140055.db2.gz PVCCXIWKLLXCQS-KRWDZBQOSA-N 2 0 345.491 1.202 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH2+]C1 ZINC000417088491 251140646 /nfs/dbraw/zinc/14/06/46/251140646.db2.gz HHBZKBJZUSUNNO-SJORKVTESA-N 2 0 340.512 1.518 20 0 EDADRP CN(C(=O)C[C@@H]1COCC[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262330430 139270663 /nfs/dbraw/zinc/27/06/63/139270663.db2.gz GQCLLJFRNOMIPC-QZTJIDSGSA-N 2 0 331.460 1.488 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000671305272 486650709 /nfs/dbraw/zinc/65/07/09/486650709.db2.gz UWJHQNXAYNAPOD-UHFFFAOYSA-N 2 0 347.507 1.664 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000417203192 251146678 /nfs/dbraw/zinc/14/66/78/251146678.db2.gz YLHANDYQNHQAKI-BZSNNMDCSA-N 2 0 330.476 1.410 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000417318144 251157586 /nfs/dbraw/zinc/15/75/86/251157586.db2.gz YAYKDZFBJUHPDK-SQNIBIBYSA-N 2 0 330.476 1.849 20 0 EDADRP [NH3+]CCNC(=O)NCCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000417557165 251186102 /nfs/dbraw/zinc/18/61/02/251186102.db2.gz AXYWKUOGUJBRFS-UHFFFAOYSA-N 2 0 332.492 1.979 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000417559720 251186624 /nfs/dbraw/zinc/18/66/24/251186624.db2.gz AFOMSDQVEIENBZ-SFHVURJKSA-N 2 0 348.491 1.310 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000262392580 139275819 /nfs/dbraw/zinc/27/58/19/139275819.db2.gz OKFGDGCANCOBKB-RBUKOAKNSA-N 2 0 345.487 1.736 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000417574614 251194458 /nfs/dbraw/zinc/19/44/58/251194458.db2.gz ZNTPNVYBIDQQHH-WMZOPIPTSA-N 2 0 346.475 1.283 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417585480 251198572 /nfs/dbraw/zinc/19/85/72/251198572.db2.gz QBJAKLCTZTYLHG-HNNXBMFYSA-N 2 0 340.512 1.837 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417588553 251199327 /nfs/dbraw/zinc/19/93/27/251199327.db2.gz FPYGZHZPEFKEOM-OAHLLOKOSA-N 2 0 334.464 1.568 20 0 EDADRP CC[NH+](CC)[C@@H](C(=O)N1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000262403166 139276551 /nfs/dbraw/zinc/27/65/51/139276551.db2.gz ZYXOLHLBHWOTOX-RBUKOAKNSA-N 2 0 344.503 1.576 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000417651511 251214325 /nfs/dbraw/zinc/21/43/25/251214325.db2.gz NKCIUPVTBJTIGD-WMZOPIPTSA-N 2 0 330.476 1.950 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)N[C@H](CC[NH3+])C(F)F)ccc1F ZINC000417665348 251219161 /nfs/dbraw/zinc/21/91/61/251219161.db2.gz YMGMGTBYGKKSSL-CYBMUJFWSA-N 2 0 332.370 1.669 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000417687650 251228915 /nfs/dbraw/zinc/22/89/15/251228915.db2.gz VQUQZWMPKYLDMX-ZBFHGGJFSA-N 2 0 326.485 1.304 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)NC[C@@H]2C[NH2+]C[C@H]2O)CC1 ZINC000417693960 251230826 /nfs/dbraw/zinc/23/08/26/251230826.db2.gz RGQXREROEHMTGM-UWWQBHOKSA-N 2 0 346.475 1.092 20 0 EDADRP COCC1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CC[NH2+]CC1 ZINC000262440874 139279225 /nfs/dbraw/zinc/27/92/25/139279225.db2.gz YDWPGROXVQEMME-MRXNPFEDSA-N 2 0 337.439 1.561 20 0 EDADRP COCC1(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CC[NH2+]CC1 ZINC000417684304 251227366 /nfs/dbraw/zinc/22/73/66/251227366.db2.gz WKGYGYGKRNQKJL-OAHLLOKOSA-N 2 0 342.528 1.668 20 0 EDADRP CO[C@@H]1CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H](C[NH3+])C1 ZINC000417803481 251276602 /nfs/dbraw/zinc/27/66/02/251276602.db2.gz WKXSBFYANNZHLW-HZPDHXFCSA-N 2 0 328.501 1.643 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)c2cn(C[C@@H]3CCC[NH2+]3)nn2)c1 ZINC000417803752 251276992 /nfs/dbraw/zinc/27/69/92/251276992.db2.gz BUOGPSONPHKBLY-HNNXBMFYSA-N 2 0 328.420 1.392 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NC[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000417814097 251281213 /nfs/dbraw/zinc/28/12/13/251281213.db2.gz RPJDKWHIUUIAAN-HZPDHXFCSA-N 2 0 340.512 1.693 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)C1CC1 ZINC000418078525 251321228 /nfs/dbraw/zinc/32/12/28/251321228.db2.gz WJEBDBMTCXXUNV-MSOLQXFVSA-N 2 0 346.475 1.314 20 0 EDADRP [NH3+][C@@H]1CC[C@@H]2CN(C(=O)NC[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]12 ZINC000418106144 251322890 /nfs/dbraw/zinc/32/28/90/251322890.db2.gz MQTCUSBPNLVASB-AKHDSKFASA-N 2 0 342.487 1.887 20 0 EDADRP C[C@@H](C(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262531765 139284591 /nfs/dbraw/zinc/28/45/91/139284591.db2.gz MCPRMPQPZCQIGJ-BZUAXINKSA-N 2 0 345.487 1.768 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418708500 251392436 /nfs/dbraw/zinc/39/24/36/251392436.db2.gz CJSMBGVEMODJFA-IRXDYDNUSA-N 3 0 341.544 1.419 20 0 EDADRP O=C([C@@H]1CN(Cc2ccccc2)CCO1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262636701 139291983 /nfs/dbraw/zinc/29/19/83/139291983.db2.gz ONJWMVZOCSLKMO-SQNIBIBYSA-N 2 0 329.444 1.240 20 0 EDADRP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000262672992 139295191 /nfs/dbraw/zinc/29/51/91/139295191.db2.gz PUFJXMPMFMQIAX-LJQANCHMSA-N 2 0 346.475 1.968 20 0 EDADRP [NH3+]C1(C(=O)NCCCC[NH+]2CCN(Cc3ccccc3)CC2)CC1 ZINC000262697734 139297181 /nfs/dbraw/zinc/29/71/81/139297181.db2.gz FIPVKGJRTVPJFP-UHFFFAOYSA-N 2 0 330.476 1.192 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000262715187 139298437 /nfs/dbraw/zinc/29/84/37/139298437.db2.gz USSXHLZHMLYRTB-IBGZPJMESA-N 2 0 332.492 1.438 20 0 EDADRP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000262716408 139298502 /nfs/dbraw/zinc/29/85/02/139298502.db2.gz VTTWPTHPDWQAPD-ZBFHGGJFSA-N 2 0 332.448 1.450 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415591075 304234337 /nfs/dbraw/zinc/23/43/37/304234337.db2.gz RVPBQBVMZVQAIE-MRXNPFEDSA-N 2 0 344.459 1.337 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262732398 139299760 /nfs/dbraw/zinc/29/97/60/139299760.db2.gz IDMFEIOAOMIMBF-MRXNPFEDSA-N 2 0 333.480 1.850 20 0 EDADRP Cc1cc(NC(=O)C(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1C[NH+](C)C ZINC000415594410 304235120 /nfs/dbraw/zinc/23/51/20/304235120.db2.gz KQYBLTPOCNVCPY-UAGQMJEPSA-N 2 0 344.459 1.191 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)c2coc(C[NH3+])c2)cc1 ZINC000262774698 139302658 /nfs/dbraw/zinc/30/26/58/139302658.db2.gz IZYNCIADIHDRPA-UHFFFAOYSA-N 2 0 330.388 1.881 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCn3nc(CC)nc32)CC[NH2+]CC1 ZINC000422872549 252005876 /nfs/dbraw/zinc/00/58/76/252005876.db2.gz HNAGRWBOEACGHY-ZIAGYGMSSA-N 2 0 349.479 1.586 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cc2)NC(=O)NC1=O ZINC000422874699 252007566 /nfs/dbraw/zinc/00/75/66/252007566.db2.gz AOSGVOSFWYAIEK-RVKKMQEKSA-N 2 0 330.432 1.491 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CNCCO2)cc1 ZINC000422896277 252015638 /nfs/dbraw/zinc/01/56/38/252015638.db2.gz IBGNQWYZJRYSNP-OALUTQOASA-N 2 0 333.476 1.484 20 0 EDADRP COCCS(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000423071263 252033390 /nfs/dbraw/zinc/03/33/90/252033390.db2.gz FAHKCXSNAQAVLX-NVXWUHKLSA-N 2 0 340.489 1.714 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccc(S(=O)(=O)N(C)C)c1 ZINC000423155779 252039497 /nfs/dbraw/zinc/03/94/97/252039497.db2.gz QYMXMIJEKRZQHZ-BBRMVZONSA-N 2 0 325.478 1.415 20 0 EDADRP Cc1ccccc1[C@H](CN1CCOCC1)[NH2+]CCCN1CC[NH2+]CC1 ZINC000423178157 252042367 /nfs/dbraw/zinc/04/23/67/252042367.db2.gz KJZWPMTXSOFXHN-FQEVSTJZSA-N 2 0 346.519 1.253 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@]1(COC)CC[NH2+]C1)Cc1ccccc1 ZINC000423319947 252045625 /nfs/dbraw/zinc/04/56/25/252045625.db2.gz FTQUQXOWNSFHKX-UYAOXDASSA-N 2 0 347.503 1.682 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)c2cn(CCC[NH3+])nn2)C1 ZINC000423345289 252046993 /nfs/dbraw/zinc/04/69/93/252046993.db2.gz YOOPSQQJMPJHJQ-HUUCEWRRSA-N 2 0 336.484 1.115 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000423773604 252069278 /nfs/dbraw/zinc/06/92/78/252069278.db2.gz JVUFSVXDGGLGIV-JQHSSLGASA-N 2 0 331.460 1.616 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c1 ZINC000422904554 252018525 /nfs/dbraw/zinc/01/85/25/252018525.db2.gz GYDXROCOAMRYQB-QZTJIDSGSA-N 3 0 332.492 1.585 20 0 EDADRP C[C@@H](NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@H]1CCCC[NH2+]1 ZINC000422912520 252019610 /nfs/dbraw/zinc/01/96/10/252019610.db2.gz WLYPHFBKTHBRHH-CRAIPNDOSA-N 2 0 332.492 1.598 20 0 EDADRP CCOCCCC(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424023362 252118066 /nfs/dbraw/zinc/11/80/66/252118066.db2.gz VMUSJYJJJWOMRD-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP Cn1cc(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424146864 252144350 /nfs/dbraw/zinc/14/43/50/252144350.db2.gz QGJYPYUPTHZYMK-SOUVJXGZSA-N 2 0 333.480 1.490 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424151714 252145108 /nfs/dbraw/zinc/14/51/08/252145108.db2.gz HSYILLMLIWULEQ-IAGOWNOFSA-N 2 0 325.497 1.901 20 0 EDADRP CC(C)[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424225973 252170862 /nfs/dbraw/zinc/17/08/62/252170862.db2.gz QVSINKDHKSCFND-RDJZCZTQSA-N 2 0 331.464 1.284 20 0 EDADRP CC[C@H](C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1)[NH+](CC)CC ZINC000424220029 252167058 /nfs/dbraw/zinc/16/70/58/252167058.db2.gz CMDOUJDKGQNRDD-MRXNPFEDSA-N 2 0 333.480 1.770 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)c3cccc(C[NH+](C)C)c3)C[C@H]2[NH3+])cn1 ZINC000424228994 252173330 /nfs/dbraw/zinc/17/33/30/252173330.db2.gz VPEZTDIXSJYOHY-DLBZAZTESA-N 2 0 327.432 1.049 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N2C[C@H]3CCC[N@H+]3C[C@H]2C)c1 ZINC000424464082 252239006 /nfs/dbraw/zinc/23/90/06/252239006.db2.gz IMVJPNJMEMGNNA-CZUORRHYSA-N 2 0 330.432 1.087 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCCCC2)c1 ZINC000424444021 252232705 /nfs/dbraw/zinc/23/27/05/252232705.db2.gz YVCCWJHPDGQXOH-UHFFFAOYSA-N 2 0 346.475 1.773 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424471527 252242598 /nfs/dbraw/zinc/24/25/98/252242598.db2.gz DBPYHGWZKZABPD-RYQLBKOJSA-N 2 0 330.476 1.758 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000424472996 252245088 /nfs/dbraw/zinc/24/50/88/252245088.db2.gz GLTHHTMUQORFSC-OAHLLOKOSA-N 2 0 326.485 1.256 20 0 EDADRP O=S(=O)(NCC[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccccc1 ZINC000420339352 285040222 /nfs/dbraw/zinc/04/02/22/285040222.db2.gz YNAPZDCPLPOUSI-HOTGVXAUSA-N 2 0 337.489 1.286 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415671688 304253130 /nfs/dbraw/zinc/25/31/30/304253130.db2.gz JRXDXIYKKAUWCB-AFAVFJNCSA-N 2 0 344.459 1.431 20 0 EDADRP CC1(C)C[C@@H]1NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000263671273 139351505 /nfs/dbraw/zinc/35/15/05/139351505.db2.gz CALPCIUSULGATK-INIZCTEOSA-N 2 0 331.464 1.691 20 0 EDADRP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000495412972 255283275 /nfs/dbraw/zinc/28/32/75/255283275.db2.gz OKXXZHNFXFGUCV-LSDHHAIUSA-N 2 0 327.469 1.432 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000494556145 255253552 /nfs/dbraw/zinc/25/35/52/255253552.db2.gz TUYHHARTQUFGJL-XHSDSOJGSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@@H]1SCCN(CN2C[C@]3(C[NH+]4CCC3CC4)OC2=O)[C@H]1C ZINC000495857431 255332554 /nfs/dbraw/zinc/33/25/54/255332554.db2.gz HXPAYQSKUOPUHD-XEZPLFJOSA-N 2 0 325.478 1.686 20 0 EDADRP CCC[NH+]1CCC([NH2+]C[C@H](O)CN(C)C(=O)OC(C)(C)C)CC1 ZINC000496209351 255364505 /nfs/dbraw/zinc/36/45/05/255364505.db2.gz VLFLSVKJXDQECH-HNNXBMFYSA-N 2 0 329.485 1.678 20 0 EDADRP O=C1O[C@]2(CN1CN1CC[C@@H](C[NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000496007080 255340584 /nfs/dbraw/zinc/34/05/84/255340584.db2.gz ACKVXMKJJNJPJK-LPHOPBHVSA-N 2 0 348.491 1.278 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NCc1ccc2c[nH+]cn2c1 ZINC000496306937 255378583 /nfs/dbraw/zinc/37/85/83/255378583.db2.gz LUMHOWINLMQVNK-UHFFFAOYSA-N 2 0 332.408 1.473 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCC[C@@H](C)OC ZINC000341088771 285277342 /nfs/dbraw/zinc/27/73/42/285277342.db2.gz QXUGVXMJCRHANK-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccoc1C(=O)OC ZINC000349065478 285282470 /nfs/dbraw/zinc/28/24/70/285282470.db2.gz ZXJXDOXEOGRGPD-INIZCTEOSA-N 2 0 337.464 1.914 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1)[N@H+](C)C1CC1 ZINC000118130892 221128701 /nfs/dbraw/zinc/12/87/01/221128701.db2.gz BUWAFYWZQKUKMR-CYBMUJFWSA-N 2 0 332.448 1.286 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1[NH3+] ZINC000415836732 304279850 /nfs/dbraw/zinc/27/98/50/304279850.db2.gz XVWYZPJAKFDJEB-WMLDXEAASA-N 2 0 344.459 1.417 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000264255988 139390640 /nfs/dbraw/zinc/39/06/40/139390640.db2.gz LBQZKIZZZFXYNK-GOSISDBHSA-N 2 0 330.476 1.780 20 0 EDADRP COC[C@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)OC ZINC000272639982 285377410 /nfs/dbraw/zinc/37/74/10/285377410.db2.gz CKNICRZOGDLJQD-AWEZNQCLSA-N 2 0 341.883 1.843 20 0 EDADRP C[C@@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177971954 533245743 /nfs/dbraw/zinc/24/57/43/533245743.db2.gz ZSGSRSRQWJKIAG-OXJNMPFZSA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc(C(N)=O)c1 ZINC000264948932 139445519 /nfs/dbraw/zinc/44/55/19/139445519.db2.gz XQCGKUCEOQIFDI-UHFFFAOYSA-N 2 0 334.464 1.131 20 0 EDADRP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1cnn(C)c1 ZINC000159343768 533395696 /nfs/dbraw/zinc/39/56/96/533395696.db2.gz WUBVKHYPXSQBOH-QGZVFWFLSA-N 2 0 327.476 1.889 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000415930261 304285887 /nfs/dbraw/zinc/28/58/87/304285887.db2.gz ZZPTZRFOAGTVNO-CQSZACIVSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000154896876 533497897 /nfs/dbraw/zinc/49/78/97/533497897.db2.gz MXIWUBGMUMOJLD-ZWKOTPCHSA-N 3 0 348.535 1.914 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccc(C)o1)[NH+]1CCCC1 ZINC000167144229 533602272 /nfs/dbraw/zinc/60/22/72/533602272.db2.gz IJVSIOAXXQZMJA-KGLIPLIRSA-N 2 0 325.478 1.922 20 0 EDADRP Cc1cc(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])sc1Cl ZINC000420459829 291975748 /nfs/dbraw/zinc/97/57/48/291975748.db2.gz RMWYGWMLUAQAGE-UHFFFAOYSA-N 2 0 325.887 1.398 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1(C)C ZINC000571404891 306564654 /nfs/dbraw/zinc/56/46/54/306564654.db2.gz AONCAQVRTKQEGP-CDHAZOANSA-N 2 0 332.448 1.369 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)Nc2cnc3c(c2)C[C@H]([NH3+])CC3)C1(C)C ZINC000571404895 306564670 /nfs/dbraw/zinc/56/46/70/306564670.db2.gz AONCAQVRTKQEGP-DWQUBVKVSA-N 2 0 332.448 1.369 20 0 EDADRP O=C(CC[N@@H+]1CCc2ccccc2C1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000416240115 304299329 /nfs/dbraw/zinc/29/93/29/304299329.db2.gz AYYIYOPINRJVSJ-KDURUIRLSA-N 2 0 343.471 1.414 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2)C1 ZINC000271993426 140384369 /nfs/dbraw/zinc/38/43/69/140384369.db2.gz SCAVQVPIMODSIX-FUHWJXTLSA-N 2 0 348.491 1.527 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000272042070 140391622 /nfs/dbraw/zinc/39/16/22/140391622.db2.gz YEXLRLJXJBHGJG-MSOLQXFVSA-N 2 0 331.460 1.035 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000332182425 141136457 /nfs/dbraw/zinc/13/64/57/141136457.db2.gz ZCQROPMAXALHLK-HOCLYGCPSA-N 2 0 331.464 1.558 20 0 EDADRP Cn1ccnc1[C@@H]1CCN(C(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)C1 ZINC000332999148 141248704 /nfs/dbraw/zinc/24/87/04/141248704.db2.gz ANXZEXIHOAURGL-GDBMZVCRSA-N 2 0 331.464 1.936 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H](C)[N@H+]1CCO ZINC000333269406 141290498 /nfs/dbraw/zinc/29/04/98/141290498.db2.gz FXFWREFMODJZLU-OKILXGFUSA-N 2 0 348.447 1.087 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000333420981 141315408 /nfs/dbraw/zinc/31/54/08/141315408.db2.gz SNGPGWDJTKPNOR-INIZCTEOSA-N 2 0 338.496 1.259 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)C1CCCC1 ZINC000333767747 141376861 /nfs/dbraw/zinc/37/68/61/141376861.db2.gz BMXPRFMMYROKDL-DOTOQJQBSA-N 2 0 338.496 1.258 20 0 EDADRP [NH3+]C[C@@H](NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)C1CCCCC1 ZINC000333786062 141381339 /nfs/dbraw/zinc/38/13/39/141381339.db2.gz FJJBQLLQDUUFQL-NVXWUHKLSA-N 2 0 338.496 1.258 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000339322695 142014663 /nfs/dbraw/zinc/01/46/63/142014663.db2.gz NRJCPHJWDVDMFN-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)C(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000340320695 142340817 /nfs/dbraw/zinc/34/08/17/142340817.db2.gz ZQZKRWXINVYKNY-INIZCTEOSA-N 2 0 340.512 1.071 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccnn1CC(F)(F)F ZINC000572470711 306589897 /nfs/dbraw/zinc/58/98/97/306589897.db2.gz XKYNZAKYJOSUKD-UHFFFAOYSA-N 2 0 335.374 1.011 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCC[NH2+][C@@H]2C)CC1 ZINC000342688385 142745526 /nfs/dbraw/zinc/74/55/26/142745526.db2.gz CNUOHISCRHBGLM-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)[C@H]3C[N@@H+]4CCN3CCC4)C2)CC1 ZINC000343358568 142835594 /nfs/dbraw/zinc/83/55/94/142835594.db2.gz DHCHANUSTHSOBM-RBUKOAKNSA-N 2 0 348.535 1.347 20 0 EDADRP CO[C@H]1C[C@@H](C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)N(C)C1 ZINC000345148596 143057543 /nfs/dbraw/zinc/05/75/43/143057543.db2.gz MPCVOJROBCBANU-ROUUACIJSA-N 2 0 326.529 1.053 20 0 EDADRP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC[N@@H+]1C ZINC000345328942 143078679 /nfs/dbraw/zinc/07/86/79/143078679.db2.gz UZNXNUPLXYHXDY-IEBWSBKVSA-N 2 0 344.503 1.798 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000345834494 143138208 /nfs/dbraw/zinc/13/82/08/143138208.db2.gz ZDOBXXGCANZMJV-OAHLLOKOSA-N 2 0 325.403 1.997 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)[N@H+](C)C1 ZINC000346007922 143156842 /nfs/dbraw/zinc/15/68/42/143156842.db2.gz IHDBEOWTAUGLIA-QZTJIDSGSA-N 2 0 348.491 1.609 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@H]3CCC[C@H]([NH3+])C3)cn2)CC1 ZINC000346269654 143185625 /nfs/dbraw/zinc/18/56/25/143185625.db2.gz CTUHXRPSVSSSCQ-IRXDYDNUSA-N 2 0 345.491 1.357 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@@H]1C(N)=O ZINC000346593514 143219909 /nfs/dbraw/zinc/21/99/09/143219909.db2.gz VSOLDSFWVLXHRD-NJAFHUGGSA-N 2 0 331.460 1.331 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)[NH+](C)C1 ZINC000346704898 143234881 /nfs/dbraw/zinc/23/48/81/143234881.db2.gz ZKMYCUYWJVXOJD-GUDVDZBRSA-N 2 0 345.487 1.829 20 0 EDADRP CCOc1cccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)n1 ZINC000347051873 143276761 /nfs/dbraw/zinc/27/67/61/143276761.db2.gz RRICMHJAFQEPLB-HNNXBMFYSA-N 2 0 332.448 1.124 20 0 EDADRP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000347217680 143296184 /nfs/dbraw/zinc/29/61/84/143296184.db2.gz RUMVHVFSSXVUFQ-QGZVFWFLSA-N 2 0 344.459 1.289 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369721621 155149037 /nfs/dbraw/zinc/14/90/37/155149037.db2.gz FZQKLDPBLDOUBA-YTQUADARSA-N 2 0 346.519 1.987 20 0 EDADRP CC[NH+](CC)CCN(CCOC)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369779411 155172794 /nfs/dbraw/zinc/17/27/94/155172794.db2.gz VYNMUCROKPFCFM-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC1(C)CC(NC(=O)N2CCC(OCCC[NH3+])CC2)CC(C)(C)[NH2+]1 ZINC000416797395 304349023 /nfs/dbraw/zinc/34/90/23/304349023.db2.gz YKNUSLATHANMBS-UHFFFAOYSA-N 2 0 340.512 1.835 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416818217 304349963 /nfs/dbraw/zinc/34/99/63/304349963.db2.gz QRFHBHDBRJVULO-UHFFFAOYSA-N 2 0 338.496 1.463 20 0 EDADRP CN(CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1CC[NH2+]C1 ZINC000573328762 306618845 /nfs/dbraw/zinc/61/88/45/306618845.db2.gz XVFYAQYFCRCDIT-QGZVFWFLSA-N 2 0 348.516 1.468 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@@H](C)C1 ZINC000370646245 286062037 /nfs/dbraw/zinc/06/20/37/286062037.db2.gz QZXWEOPZNJHVSF-SZMVWBNQSA-N 2 0 337.508 1.581 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000416897334 304354282 /nfs/dbraw/zinc/35/42/82/304354282.db2.gz XNFYYVOYMWNACS-AWEZNQCLSA-N 2 0 326.391 1.545 20 0 EDADRP CSc1ccc(C[NH2+]CCCC[NH+]2CCN(CCO)CC2)s1 ZINC000352844721 149188210 /nfs/dbraw/zinc/18/82/10/149188210.db2.gz QQPUEUPKAWHQQB-UHFFFAOYSA-N 2 0 343.562 1.950 20 0 EDADRP CN(CC(=O)NC1CC[NH+](C2CC2)CC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352923132 149216846 /nfs/dbraw/zinc/21/68/46/149216846.db2.gz GQLDFLAAYCBGDF-JWTNVVGKSA-N 2 0 334.508 1.286 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000352960170 149230671 /nfs/dbraw/zinc/23/06/71/149230671.db2.gz CHWSLPGNVWMGRC-CQSZACIVSA-N 2 0 332.448 1.247 20 0 EDADRP Cc1nc2ccccc2n1CCC(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000353335146 149369465 /nfs/dbraw/zinc/36/94/65/149369465.db2.gz JAODGZOAUFYFGA-CABCVRRESA-N 2 0 344.459 1.960 20 0 EDADRP CCCN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000416968730 304356849 /nfs/dbraw/zinc/35/68/49/304356849.db2.gz JQKWYXDKHUDETM-QGZVFWFLSA-N 2 0 348.491 1.911 20 0 EDADRP CCOCC[C@H](O)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000444683724 286130439 /nfs/dbraw/zinc/13/04/39/286130439.db2.gz ZGQZEZXUFDSPSJ-WFFDWFOESA-N 2 0 325.497 1.017 20 0 EDADRP C[C@@H]1C[C@H](C[NH3+])CN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416973788 304358763 /nfs/dbraw/zinc/35/87/63/304358763.db2.gz VQTVEVVZNAKBKK-GDBMZVCRSA-N 2 0 334.464 1.506 20 0 EDADRP C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000416981291 304360697 /nfs/dbraw/zinc/36/06/97/304360697.db2.gz ZWBBUUKLUZUWTH-DOTOQJQBSA-N 2 0 348.491 1.814 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC[C@H](C)[NH+]2CCCCC2)[C@H](C)C1 ZINC000355085965 150109259 /nfs/dbraw/zinc/10/92/59/150109259.db2.gz WWQOARREIZHWOM-BBWFWOEESA-N 2 0 340.512 1.347 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000416986295 304361695 /nfs/dbraw/zinc/36/16/95/304361695.db2.gz JANSPRPCXNITAV-INIZCTEOSA-N 2 0 348.491 1.911 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCCOCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000355333688 150220957 /nfs/dbraw/zinc/22/09/57/150220957.db2.gz CKBHLRMKVYUNOA-AEFFLSMTSA-N 2 0 348.491 1.527 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417030739 304362539 /nfs/dbraw/zinc/36/25/39/304362539.db2.gz WPGOBSUGHRXKIU-GOSISDBHSA-N 2 0 345.491 1.331 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)N[C@@H]2CC[NH2+]C2)[C@H](c2ccccc2)C1 ZINC000417031462 304362995 /nfs/dbraw/zinc/36/29/95/304362995.db2.gz XLMLIYXBWVEIFL-MSOLQXFVSA-N 2 0 345.491 1.026 20 0 EDADRP CCc1cccc(OC[C@@H](O)C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1 ZINC000573795218 306634346 /nfs/dbraw/zinc/63/43/46/306634346.db2.gz MKSPGAQTFHDNSI-AEFFLSMTSA-N 2 0 335.492 1.214 20 0 EDADRP COCC1(CNC(=O)N2CC[N@@H+](C3CC3)C[C@@H](C)C2)CC[NH2+]CC1 ZINC000333671055 292238628 /nfs/dbraw/zinc/23/86/28/292238628.db2.gz NBXQCIAKDYRECW-OAHLLOKOSA-N 2 0 338.496 1.128 20 0 EDADRP CCCCN(CC)C(=O)C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000357642937 151097544 /nfs/dbraw/zinc/09/75/44/151097544.db2.gz DARNFDFJFOWFAD-MRXNPFEDSA-N 2 0 327.513 1.660 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N[C@@H](C)CC[NH+]1CCN(C)CC1 ZINC000357922786 151198008 /nfs/dbraw/zinc/19/80/08/151198008.db2.gz RIVBUODWTUKLFV-JKSUJKDBSA-N 2 0 327.517 1.040 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000358050267 151247521 /nfs/dbraw/zinc/24/75/21/151247521.db2.gz PYCGRBJDVMPCET-PKOBYXMFSA-N 2 0 331.460 1.081 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@@H](C)C[N@H+](C)C(C)C)CC2)c1 ZINC000358138484 151285448 /nfs/dbraw/zinc/28/54/48/151285448.db2.gz MXTHHRNASJBZAN-HNNXBMFYSA-N 2 0 349.479 1.651 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000358142922 151286870 /nfs/dbraw/zinc/28/68/70/151286870.db2.gz RWKRXFCJIPOYER-OAHLLOKOSA-N 2 0 349.479 1.651 20 0 EDADRP COc1cc2c(cc1OC)CN(CC[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)CC2 ZINC000422771919 286259039 /nfs/dbraw/zinc/25/90/39/286259039.db2.gz WHTRXHOOIDQANR-HOCLYGCPSA-N 2 0 333.476 1.650 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CCSC1 ZINC000360396002 152020076 /nfs/dbraw/zinc/02/00/76/152020076.db2.gz KTCVBHULQJRQIL-FMKPAKJESA-N 2 0 326.510 1.350 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CCSC1 ZINC000360396004 152020583 /nfs/dbraw/zinc/02/05/83/152020583.db2.gz KTCVBHULQJRQIL-YCPHGPKFSA-N 2 0 326.510 1.350 20 0 EDADRP CC[C@@]1(C(=O)Nc2cccc(C(=O)OC3CC[NH2+]CC3)c2)CC[NH2+]C1 ZINC000360468795 152056898 /nfs/dbraw/zinc/05/68/98/152056898.db2.gz XJUJTTMXBLOWTC-LJQANCHMSA-N 2 0 345.443 1.924 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CCC[NH2+]1 ZINC000417177240 304380741 /nfs/dbraw/zinc/38/07/41/304380741.db2.gz JMBITMIDJGMGJK-WBVHZDCISA-N 2 0 326.485 1.176 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(F)cc1 ZINC000417180146 304381026 /nfs/dbraw/zinc/38/10/26/304381026.db2.gz QKHVDORCQGMBKO-IXDOHACOSA-N 2 0 334.439 1.964 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCCC[NH3+])[NH+]1CCCCC1 ZINC000417182885 304381814 /nfs/dbraw/zinc/38/18/14/304381814.db2.gz SWOUODGDEQMSNU-INIZCTEOSA-N 2 0 334.464 1.870 20 0 EDADRP CC(C)COC[C@@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000363633248 153018058 /nfs/dbraw/zinc/01/80/58/153018058.db2.gz OBEXZNQWHRBBTM-SFHVURJKSA-N 2 0 328.497 1.454 20 0 EDADRP Cc1nn(C)c(N2CCC[N@H+](C)CC2)c1C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000363784301 153055454 /nfs/dbraw/zinc/05/54/54/153055454.db2.gz MVTOHYFNVKNPFG-GDBMZVCRSA-N 2 0 335.496 1.385 20 0 EDADRP [NH3+][C@H]1CN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@@H]1c1ccc(F)cc1 ZINC000364196791 153170702 /nfs/dbraw/zinc/17/07/02/153170702.db2.gz RMQAKGKFTDRQMC-URWWGJIRSA-N 2 0 331.435 2.000 20 0 EDADRP O=C(c1cnn(CC[NH+]2CCCCC2)c1)N1CC[NH+](CC2CC2)CC1 ZINC000364264282 153191336 /nfs/dbraw/zinc/19/13/36/153191336.db2.gz NJCYBAHHBMBJDH-UHFFFAOYSA-N 2 0 345.491 1.537 20 0 EDADRP C[C@H](NC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000417193721 304383075 /nfs/dbraw/zinc/38/30/75/304383075.db2.gz LUQGWQZPGZWWGE-RYQLBKOJSA-N 2 0 332.492 1.847 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@@H]([NH3+])Cc3ccccc3)C2)CC1 ZINC000364848549 153351418 /nfs/dbraw/zinc/35/14/18/153351418.db2.gz ANFIOJJZSKCSNK-MOPGFXCFSA-N 2 0 344.503 1.183 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000367624524 154203601 /nfs/dbraw/zinc/20/36/01/154203601.db2.gz VXUOWNPLMWRGQT-QFBILLFUSA-N 2 0 335.467 1.819 20 0 EDADRP CN(CCC[N@H+](C)Cc1cn(C)nc1-c1ccncc1)CC[NH+](C)C ZINC000367673949 154224267 /nfs/dbraw/zinc/22/42/67/154224267.db2.gz YNUKGFYPROQDCE-UHFFFAOYSA-N 2 0 344.507 1.797 20 0 EDADRP CCc1nc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+](CC)C[C@@H]3C)C2)no1 ZINC000367703460 154235179 /nfs/dbraw/zinc/23/51/79/154235179.db2.gz YNAGIBYYHSXCLX-JYJNAYRXSA-N 2 0 335.496 1.916 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C[C@H]1c1ccccc1 ZINC000369111612 154875410 /nfs/dbraw/zinc/87/54/10/154875410.db2.gz HZUBUQBOCCNHSK-YESZJQIVSA-N 2 0 339.443 1.375 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000417374290 304395053 /nfs/dbraw/zinc/39/50/53/304395053.db2.gz ZFHFDROTAMYBHE-CYBMUJFWSA-N 2 0 344.406 1.409 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2CC[NH+](Cc3cccs3)CC2)CC[NH2+]1 ZINC000417380753 304395781 /nfs/dbraw/zinc/39/57/81/304395781.db2.gz LCXMHRKYDFSMQC-CQSZACIVSA-N 2 0 336.505 1.963 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000417476825 304398631 /nfs/dbraw/zinc/39/86/31/304398631.db2.gz FHWYDCQSVLWYHD-KRWDZBQOSA-N 2 0 334.464 1.554 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)ccn2)CC1 ZINC000371621612 156032736 /nfs/dbraw/zinc/03/27/36/156032736.db2.gz JAXYMCZMJYBQQQ-SJORKVTESA-N 2 0 343.475 1.190 20 0 EDADRP C[C@H](C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000371728935 156079959 /nfs/dbraw/zinc/07/99/59/156079959.db2.gz WKVIINAZUDUKIH-CJNGLKHVSA-N 2 0 334.439 1.825 20 0 EDADRP CC[C@]1(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000372190652 156264380 /nfs/dbraw/zinc/26/43/80/156264380.db2.gz CFNLGSNJUKBIQD-FQEVSTJZSA-N 2 0 344.503 1.657 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccnc2)CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000373049991 156655882 /nfs/dbraw/zinc/65/58/82/156655882.db2.gz UDTZZUJKOBGLHP-GOSISDBHSA-N 2 0 328.460 1.504 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)CC1 ZINC000368195577 292348963 /nfs/dbraw/zinc/34/89/63/292348963.db2.gz WOLMKIGOXNZVNI-GOSISDBHSA-N 2 0 338.496 1.225 20 0 EDADRP CN1CCO[C@@H](C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000373879823 157045772 /nfs/dbraw/zinc/04/57/72/157045772.db2.gz CSXPCIPHGOMCOX-DLBZAZTESA-N 2 0 349.500 1.051 20 0 EDADRP C[C@@H]1CN(CC(=O)N(C)c2ccccc2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000374327801 157246704 /nfs/dbraw/zinc/24/67/04/157246704.db2.gz XGJPXLFGMNNZBT-IEBWSBKVSA-N 2 0 344.503 1.607 20 0 EDADRP C[C@@H]1CN(Cc2nc(C(C)(C)C)no2)CCN1C1CC[NH+](C)CC1 ZINC000374608812 157343685 /nfs/dbraw/zinc/34/36/85/157343685.db2.gz XMCWNEFNLFTITR-CQSZACIVSA-N 2 0 335.496 1.967 20 0 EDADRP Cc1ncc2n1CC[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C2 ZINC000377936144 158033714 /nfs/dbraw/zinc/03/37/14/158033714.db2.gz HKDKSPLARKEQDI-QGZVFWFLSA-N 2 0 349.523 1.486 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000377953603 158038266 /nfs/dbraw/zinc/03/82/66/158038266.db2.gz VFBXFPSMTYFZHJ-GOSISDBHSA-N 2 0 342.503 1.295 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H](C[NH3+])CC(C)C)CC1 ZINC000417548429 304426854 /nfs/dbraw/zinc/42/68/54/304426854.db2.gz QSWHZPPXMWFQPG-AWEZNQCLSA-N 2 0 328.501 1.548 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000417548440 304426862 /nfs/dbraw/zinc/42/68/62/304426862.db2.gz QSWHZPPXMWFQPG-CQSZACIVSA-N 2 0 328.501 1.548 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352208401 162050750 /nfs/dbraw/zinc/05/07/50/162050750.db2.gz NGOHWHSKOCREEV-JKSUJKDBSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H]1C[NH+](CCOc2ccc(CCNC(=O)NCC[NH3+])cc2)C[C@@H]1C ZINC000417973287 304440688 /nfs/dbraw/zinc/44/06/88/304440688.db2.gz CDVMFTBMCFHSIR-HOTGVXAUSA-N 2 0 348.491 1.454 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000120409129 287025570 /nfs/dbraw/zinc/02/55/70/287025570.db2.gz FVOYGCLAYZVAGA-OAHLLOKOSA-N 2 0 339.505 1.378 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000074134191 287268370 /nfs/dbraw/zinc/26/83/70/287268370.db2.gz HPHSFADKFYZGBF-IAGOWNOFSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418324408 304480013 /nfs/dbraw/zinc/48/00/13/304480013.db2.gz GYHDMIMGTJHEPO-FUHWJXTLSA-N 2 0 345.491 1.830 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)NCC2(O)CC[NH+](C)CC2)cc1 ZINC000418355554 304484944 /nfs/dbraw/zinc/48/49/44/304484944.db2.gz PDMHFZFSHGTADA-QGZVFWFLSA-N 2 0 348.491 1.566 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CCCC[NH2+]C2)CC1 ZINC000418372457 304487293 /nfs/dbraw/zinc/48/72/93/304487293.db2.gz SYRNELGXOWSMNM-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418464818 304498341 /nfs/dbraw/zinc/49/83/41/304498341.db2.gz BTYLJGGGTVOCLK-HOTGVXAUSA-N 2 0 340.512 1.517 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCN(C(C)=O)C2)CC1 ZINC000152837882 287617379 /nfs/dbraw/zinc/61/73/79/287617379.db2.gz TXALQLSMCMZIEG-LJQANCHMSA-N 2 0 344.503 1.929 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000194095569 273000357 /nfs/dbraw/zinc/00/03/57/273000357.db2.gz RIGBPDSTYHSZCD-KRWDZBQOSA-N 2 0 334.508 1.988 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000274621383 268170342 /nfs/dbraw/zinc/17/03/42/268170342.db2.gz ZNPGKPYYSLERRK-UHFFFAOYSA-N 2 0 344.503 1.751 20 0 EDADRP CC(=O)Nc1ccc(CC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000103212218 272918733 /nfs/dbraw/zinc/91/87/33/272918733.db2.gz MBBJVPNJFZMZRL-UHFFFAOYSA-N 2 0 334.464 1.139 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280792063 273399027 /nfs/dbraw/zinc/39/90/27/273399027.db2.gz JRJVTLWEZNUZBU-VQIMIIECSA-N 2 0 331.460 1.633 20 0 EDADRP C[NH2+][C@@H](C)Cc1noc(CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000261866130 273971367 /nfs/dbraw/zinc/97/13/67/273971367.db2.gz UVMOMVYJXFPPSI-HNNXBMFYSA-N 2 0 329.448 1.585 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000283961104 274027396 /nfs/dbraw/zinc/02/73/96/274027396.db2.gz JZJHKMOLUBVXSD-NVXWUHKLSA-N 2 0 348.491 1.252 20 0 EDADRP COC(=O)c1cn(CC[NH2+]C2CCN(Cc3ccccc3)CC2)nn1 ZINC000283974212 274033186 /nfs/dbraw/zinc/03/31/86/274033186.db2.gz LHHFQOSPILLDRG-UHFFFAOYSA-N 2 0 343.431 1.319 20 0 EDADRP COCC[N@H+](C)CCNC(=O)[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000284485969 274219498 /nfs/dbraw/zinc/21/94/98/274219498.db2.gz BPYTZOYWQHJKQF-SJLPKXTDSA-N 2 0 333.476 1.449 20 0 EDADRP CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000372908278 276301527 /nfs/dbraw/zinc/30/15/27/276301527.db2.gz SQOZZLMMHVMFGR-KBAYOESNSA-N 2 0 331.460 1.659 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000361719753 276328097 /nfs/dbraw/zinc/32/80/97/276328097.db2.gz VGHDSPFWDPVZIX-OALUTQOASA-N 2 0 345.487 1.660 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCC(=O)N1CCOCC1 ZINC000360967606 276331617 /nfs/dbraw/zinc/33/16/17/276331617.db2.gz BJAPKUNIIWAKFL-DLBZAZTESA-N 2 0 325.497 1.726 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000357709947 277043120 /nfs/dbraw/zinc/04/31/20/277043120.db2.gz RZFRSZFJRVLQRK-QZTJIDSGSA-N 2 0 337.508 1.822 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCO[C@@H]4C3(C)C)cn2)CC1 ZINC000377197429 277112977 /nfs/dbraw/zinc/11/29/77/277112977.db2.gz QLYAWENKCBTJKU-SZMVWBNQSA-N 2 0 330.476 1.737 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)NCC2(O)CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000270561034 277166832 /nfs/dbraw/zinc/16/68/32/277166832.db2.gz SXOXFTLNQKFXJY-IRXDYDNUSA-N 2 0 346.475 1.188 20 0 EDADRP CNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000246093420 277236072 /nfs/dbraw/zinc/23/60/72/277236072.db2.gz VMIMALCDWFBQTO-HUUCEWRRSA-N 2 0 338.496 1.807 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NC[C@@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000305174194 277582301 /nfs/dbraw/zinc/58/23/01/277582301.db2.gz QLPCIHKBXRBSGD-QGZVFWFLSA-N 2 0 325.497 1.316 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1cccc(O)c1Br ZINC000459409234 278191818 /nfs/dbraw/zinc/19/18/18/278191818.db2.gz YCBYJNMAUVKZQX-GFCCVEGCSA-N 2 0 342.281 1.880 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1)[NH+]1CCC(C)CC1 ZINC000155015796 278279721 /nfs/dbraw/zinc/27/97/21/278279721.db2.gz HMALNZFTQXDEMM-WMZOPIPTSA-N 2 0 337.508 1.866 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@@H]3COCC[NH2+]3)c2)CC1 ZINC000262312823 278548478 /nfs/dbraw/zinc/54/84/78/278548478.db2.gz DALDTPHPMQQYOX-LJQANCHMSA-N 2 0 345.487 1.913 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000352075375 279112223 /nfs/dbraw/zinc/11/22/23/279112223.db2.gz SFQBDJSUQZKKTC-IRXDYDNUSA-N 2 0 339.505 1.693 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000363367102 279127707 /nfs/dbraw/zinc/12/77/07/279127707.db2.gz BQTNRKJUPPPFCJ-OWCLPIDISA-N 2 0 326.485 1.125 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000365552476 279271236 /nfs/dbraw/zinc/27/12/36/279271236.db2.gz YTOSLZDRPPSMHF-XWTMOSNGSA-N 2 0 334.508 1.987 20 0 EDADRP CC(C)N(C)C(=O)[C@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000175289420 279342795 /nfs/dbraw/zinc/34/27/95/279342795.db2.gz YVFSLOREDLRVJR-INIZCTEOSA-N 2 0 325.497 1.819 20 0 EDADRP CC[NH+]1CCN(c2ccccc2CN[C@H](CC[NH3+])C(F)F)CC1 ZINC000414987765 279375506 /nfs/dbraw/zinc/37/55/06/279375506.db2.gz JYMBOLGCJWNWFR-OAHLLOKOSA-N 2 0 326.435 1.901 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000262548320 279410677 /nfs/dbraw/zinc/41/06/77/279410677.db2.gz WKPLXVAOZVMLDH-IHRRRGAJSA-N 2 0 336.455 1.738 20 0 EDADRP CC(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)C1(C)C ZINC000333233243 279695168 /nfs/dbraw/zinc/69/51/68/279695168.db2.gz CKEOXDFWYZJAJF-KONPQCLYSA-N 2 0 337.508 1.815 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174721120 280244042 /nfs/dbraw/zinc/24/40/42/280244042.db2.gz HHLMQGBPELBLLY-ZWKOTPCHSA-N 2 0 338.540 1.735 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)N1CCC(CC[NH3+])CC1 ZINC000652730307 452891718 /nfs/dbraw/zinc/89/17/18/452891718.db2.gz SFFICALSFWZAAA-UHFFFAOYSA-N 2 0 340.512 1.154 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000289822606 288785757 /nfs/dbraw/zinc/78/57/57/288785757.db2.gz CYGXJKCRUSEXDY-OALUTQOASA-N 2 0 344.503 1.935 20 0 EDADRP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C(C)(C)n1cncn1 ZINC000289827957 288786410 /nfs/dbraw/zinc/78/64/10/288786410.db2.gz QDJMYPGSYLBAQH-HNNXBMFYSA-N 2 0 343.479 1.338 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCCC2)cc1 ZINC000289992006 288817200 /nfs/dbraw/zinc/81/72/00/288817200.db2.gz OVEZDUMWVHGKIZ-INIZCTEOSA-N 2 0 348.447 1.413 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C[C@@H]1CCCC[C@@H]1O ZINC000343396657 289114149 /nfs/dbraw/zinc/11/41/49/289114149.db2.gz CABIDWUVFBMNDN-IRXDYDNUSA-N 2 0 327.513 1.660 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2csc(CC[NH3+])n2)c2ccccc2O1 ZINC000369161273 289201202 /nfs/dbraw/zinc/20/12/02/289201202.db2.gz DTHVYFDUHCZSKK-GFCCVEGCSA-N 2 0 346.456 1.614 20 0 EDADRP COc1ccccc1N1CC[C@@H](N2CC[C@@]3(CC[N@H+](C)C3)C2)C1=O ZINC000292175491 289281885 /nfs/dbraw/zinc/28/18/85/289281885.db2.gz PYYRTBKWURQDNC-VQIMIIECSA-N 2 0 329.444 1.828 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CCCC[C@H]3S(C)(=O)=O)C2)CC1 ZINC000361998626 289883715 /nfs/dbraw/zinc/88/37/15/289883715.db2.gz SUVOWGMPHFYWBG-BHYGNILZSA-N 2 0 343.537 1.100 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)C[C@H]1C ZINC000358267870 290094654 /nfs/dbraw/zinc/09/46/54/290094654.db2.gz SGUJNLIDENQYRG-CVEARBPZSA-N 2 0 340.512 1.205 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H](C[NH3+])C1 ZINC000417255681 293736810 /nfs/dbraw/zinc/73/68/10/293736810.db2.gz PZMCPYNCZHUXDD-OVYGPGRDSA-N 2 0 340.512 1.501 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333948747 297106292 /nfs/dbraw/zinc/10/62/92/297106292.db2.gz WPQPNBTWUWBQCF-CABCVRRESA-N 2 0 340.537 1.645 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000418537163 304509347 /nfs/dbraw/zinc/50/93/47/304509347.db2.gz JMTJDWFDKZVFIP-MJGOQNOKSA-N 2 0 348.491 1.987 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NCC2=CC[NH2+]CC2)c1 ZINC000418536967 304509503 /nfs/dbraw/zinc/50/95/03/304509503.db2.gz HSHXICMNWLSKQL-UHFFFAOYSA-N 2 0 346.475 1.688 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000418564824 304513366 /nfs/dbraw/zinc/51/33/66/304513366.db2.gz UYDYGAJEFPYUBP-RRQGHBQHSA-N 2 0 334.464 1.567 20 0 EDADRP C[C@@H]1C[C@@H](C[N@@H+]2CCCO[C@H](CNC(=O)OC(C)(C)C)C2)CC[NH2+]1 ZINC000496459132 297251912 /nfs/dbraw/zinc/25/19/12/297251912.db2.gz PCGAAAZOJCIREY-OWCLPIDISA-N 2 0 341.496 1.990 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[NH2+]1 ZINC000418592359 304515933 /nfs/dbraw/zinc/51/59/33/304515933.db2.gz CXYUIUAOIGALAW-HUHSQHJXSA-N 2 0 348.466 1.959 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000418599209 304516878 /nfs/dbraw/zinc/51/68/78/304516878.db2.gz ZFPAKFANIZZZLE-ZOBUZTSGSA-N 2 0 334.464 1.867 20 0 EDADRP COC[C@]1(CNC(=O)N(C)CC[NH+](C(C)C)C(C)C)CCC[NH2+]1 ZINC000418655431 304526259 /nfs/dbraw/zinc/52/62/59/304526259.db2.gz NJJADXPZQDHJOR-QGZVFWFLSA-N 2 0 328.501 1.515 20 0 EDADRP CCc1ccccc1[C@H]([NH3+])CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418659837 304527216 /nfs/dbraw/zinc/52/72/16/304527216.db2.gz XYDHIPLHDVPYNN-ZIAGYGMSSA-N 2 0 326.391 1.545 20 0 EDADRP C[C@H]([NH2+]C(C)(C)CNC(=O)C(=O)NC[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000419639160 304647664 /nfs/dbraw/zinc/64/76/64/304647664.db2.gz CDGSLKCRDNPOHW-HOCLYGCPSA-N 2 0 346.475 1.100 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000418638003 300245664 /nfs/dbraw/zinc/24/56/64/300245664.db2.gz KKVBEMVNZUANIQ-GJZGRUSLSA-N 2 0 340.512 1.251 20 0 EDADRP CCCC[C@@H](C[NH3+])NC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419706176 304667772 /nfs/dbraw/zinc/66/77/72/304667772.db2.gz CBPNGMZMGCQWEJ-GJZGRUSLSA-N 2 0 326.485 1.001 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1)C(C)C ZINC000419895803 304705812 /nfs/dbraw/zinc/70/58/12/304705812.db2.gz PPHIXOPVLUNJAA-HOTGVXAUSA-N 2 0 340.512 1.068 20 0 EDADRP COc1cccc(CC(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420296936 304744789 /nfs/dbraw/zinc/74/47/89/304744789.db2.gz CQWNMDZISHICQO-INIZCTEOSA-N 2 0 331.460 1.382 20 0 EDADRP C[C@H]1CN(C(=O)c2sc3c(c2Br)CNC3)[C@@H](C)C[NH2+]1 ZINC000662515586 453233060 /nfs/dbraw/zinc/23/30/60/453233060.db2.gz WYGJJZYECWICBD-YUMQZZPRSA-N 2 0 344.278 1.936 20 0 EDADRP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000420379872 304753857 /nfs/dbraw/zinc/75/38/57/304753857.db2.gz WACWQDQIZGBAFQ-HUUCEWRRSA-N 2 0 339.505 1.977 20 0 EDADRP CCCN(CCC)C(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000420389026 304754247 /nfs/dbraw/zinc/75/42/47/304754247.db2.gz LWAOAWJOWQWPPT-IAGOWNOFSA-N 2 0 325.497 1.853 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000414750632 447321130 /nfs/dbraw/zinc/32/11/30/447321130.db2.gz MFHOONZMCPMJAW-HNNXBMFYSA-N 2 0 334.464 1.437 20 0 EDADRP COc1nccc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000294971225 303157846 /nfs/dbraw/zinc/15/78/46/303157846.db2.gz GJNSPMQLHZYKDB-UHFFFAOYSA-N 2 0 330.432 1.758 20 0 EDADRP C[C@H]([NH2+]C1CC1)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843771 303274655 /nfs/dbraw/zinc/27/46/55/303274655.db2.gz WBIBMKQVUPUKHN-ZDUSSCGKSA-N 2 0 331.464 1.691 20 0 EDADRP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000364947999 303415004 /nfs/dbraw/zinc/41/50/04/303415004.db2.gz IOYHIMCLPYWQLS-BZSNNMDCSA-N 2 0 331.460 1.174 20 0 EDADRP COc1ccc(-c2ccncc2)cc1C[NH2+]CCN1CC[NH2+]CC1 ZINC000414866530 447334596 /nfs/dbraw/zinc/33/45/96/447334596.db2.gz FJRKOSBBCVGOAQ-UHFFFAOYSA-N 2 0 326.444 1.752 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000414880576 447340353 /nfs/dbraw/zinc/34/03/53/447340353.db2.gz QHHOPKQFDLEOLD-MRXNPFEDSA-N 2 0 346.475 1.581 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720168 304879078 /nfs/dbraw/zinc/87/90/78/304879078.db2.gz SCOFBQMUBDZBPF-QZTJIDSGSA-N 3 0 346.523 1.628 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+]C2CCC([NH3+])CC2)c1 ZINC000422743238 304879590 /nfs/dbraw/zinc/87/95/90/304879590.db2.gz SXXDTDSDGXLAMY-UHFFFAOYSA-N 2 0 325.478 1.733 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000422938191 304880725 /nfs/dbraw/zinc/88/07/25/304880725.db2.gz GVRUISFUJFZUSK-GZBFAFLISA-N 2 0 325.478 1.586 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000422985043 304882056 /nfs/dbraw/zinc/88/20/56/304882056.db2.gz BVCXQRNJGCGSGT-UOVPBQLFSA-N 2 0 330.476 1.301 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]CCNS(=O)(=O)c1ccc(F)cc1F ZINC000423094832 304885604 /nfs/dbraw/zinc/88/56/04/304885604.db2.gz CUPZKJCYOPKLLL-FZMZJTMJSA-N 2 0 347.431 1.350 20 0 EDADRP Cc1ccc([C@H](CCn2cncn2)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423209134 304889505 /nfs/dbraw/zinc/88/95/05/304889505.db2.gz URMIEGBZPLGCIX-SFHVURJKSA-N 2 0 328.464 1.213 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@]23C[C@H]2CC[NH2+]3)[NH+]2CCCC2)c1 ZINC000423310828 304892095 /nfs/dbraw/zinc/89/20/95/304892095.db2.gz SHZRFAWTAZFXNF-SUMDDJOVSA-N 2 0 329.444 1.700 20 0 EDADRP C[C@H]([NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F)c1cccc(CO)c1 ZINC000423375061 304893638 /nfs/dbraw/zinc/89/36/38/304893638.db2.gz CSJAFEOFXWLGAF-SWLSCSKDSA-N 2 0 331.382 1.666 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)N1CC[NH2+]CC1 ZINC000423401256 304894594 /nfs/dbraw/zinc/89/45/94/304894594.db2.gz XMLOEGLYGNYETB-XQLPTFJDSA-N 2 0 347.425 1.760 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)CC2([NH+]3CCOCC3)CCCC2)C[C@@H]1C[NH3+] ZINC000424067828 304927319 /nfs/dbraw/zinc/92/73/19/304927319.db2.gz HGXYHWFXADCSRP-IKGGRYGDSA-N 2 0 337.508 1.853 20 0 EDADRP CCc1nc2n(n1)C[C@@H]([NH2+]Cc1cc(C3CC[NH2+]CC3)no1)CC2 ZINC000425897648 304976394 /nfs/dbraw/zinc/97/63/94/304976394.db2.gz VNHSDIQKVSGPOU-ZDUSSCGKSA-N 2 0 330.436 1.400 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000428960319 305020965 /nfs/dbraw/zinc/02/09/65/305020965.db2.gz BHUXWUYOGQGZGS-FUHWJXTLSA-N 2 0 344.503 1.946 20 0 EDADRP CC[NH2+]CC1CC[NH+](CC(=O)NCc2ccc(OC)c(OC)c2)CC1 ZINC000430583672 305057204 /nfs/dbraw/zinc/05/72/04/305057204.db2.gz SNHLWMPWDOVBRJ-UHFFFAOYSA-N 2 0 349.475 1.642 20 0 EDADRP C[N@H+](CCC(=O)N1CCN(c2ccc(F)cc2)CC1)C1CC[NH2+]CC1 ZINC000430616276 305059132 /nfs/dbraw/zinc/05/91/32/305059132.db2.gz AKMLKDWJPXTBCZ-UHFFFAOYSA-N 2 0 348.466 1.548 20 0 EDADRP [NH3+]CC1CC[NH+](CC(=O)NCCc2cnn(-c3ccccc3)c2)CC1 ZINC000430640319 305060857 /nfs/dbraw/zinc/06/08/57/305060857.db2.gz QXCKXRIXIXFIJS-UHFFFAOYSA-N 2 0 341.459 1.202 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([NH+]3CCC(C[NH3+])CC3)C2=O)c1 ZINC000430649465 305061246 /nfs/dbraw/zinc/06/12/46/305061246.db2.gz ISPRCBDMCOHJCZ-KRWDZBQOSA-N 2 0 333.432 1.480 20 0 EDADRP COCC[C@]1(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000430842587 305065720 /nfs/dbraw/zinc/06/57/20/305065720.db2.gz USUXCHLLTZCIGO-IEBWSBKVSA-N 2 0 331.460 1.393 20 0 EDADRP O=C(C[C@@H]1C[NH2+]CCO1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000430854904 305066220 /nfs/dbraw/zinc/06/62/20/305066220.db2.gz OVSFOCLWLUHRKS-GOSISDBHSA-N 2 0 331.460 1.667 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)CC1 ZINC000430956621 305070627 /nfs/dbraw/zinc/07/06/27/305070627.db2.gz LLDDZOXDLYFTFS-UHFFFAOYSA-N 2 0 340.471 1.984 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c1 ZINC000431016202 305072841 /nfs/dbraw/zinc/07/28/41/305072841.db2.gz YZQQHHCWXUNXLI-UHFFFAOYSA-N 2 0 330.432 1.659 20 0 EDADRP CCCN(CC(=O)NC(=O)Nc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431073215 305074158 /nfs/dbraw/zinc/07/41/58/305074158.db2.gz WMGVADZYBFSRKD-UHFFFAOYSA-N 2 0 348.447 1.807 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)NCC2([NH+](C)C)CCCC2)CCCO1 ZINC000433290073 305105103 /nfs/dbraw/zinc/10/51/03/305105103.db2.gz RNKYMSPUBDQYFI-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP O=C(c1ncn([C@@H]2CCC[NH2+]C2)n1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000433380233 305106950 /nfs/dbraw/zinc/10/69/50/305106950.db2.gz ZZKQTSIVMYIDHK-MRXNPFEDSA-N 2 0 346.479 1.151 20 0 EDADRP C[C@H](CNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1)C[NH+]1CCCCC1 ZINC000433381522 305107030 /nfs/dbraw/zinc/10/70/30/305107030.db2.gz AEONOUSXFWGWSF-HUUCEWRRSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)CCCO1 ZINC000433452342 305109252 /nfs/dbraw/zinc/10/92/52/305109252.db2.gz VMDFIBKPUUENMG-DOTOQJQBSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)[C@H]1OCC[C@@H]1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000433968633 305116105 /nfs/dbraw/zinc/11/61/05/305116105.db2.gz SUTNUUAEKNTOFS-DLBZAZTESA-N 2 0 327.513 1.780 20 0 EDADRP CCNC(=O)COc1ccc(C[NH+]2CCC(C[NH3+])CC2)cc1OC ZINC000435372558 305139186 /nfs/dbraw/zinc/13/91/86/305139186.db2.gz KDLCTVSZNVLICD-UHFFFAOYSA-N 2 0 335.448 1.381 20 0 EDADRP COc1ccc(C[C@@H](C)C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1F ZINC000435389830 305139706 /nfs/dbraw/zinc/13/97/06/305139706.db2.gz OLKDDQZHCOHAJH-CQSZACIVSA-N 2 0 337.439 1.377 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000440977290 305215440 /nfs/dbraw/zinc/21/54/40/305215440.db2.gz DHOSUPKBAUBRDC-UHFFFAOYSA-N 2 0 327.517 1.044 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H](C[NH+](C)CC3CC3)C2)C[N@@H+]1C1CC1 ZINC000441304215 305220442 /nfs/dbraw/zinc/22/04/42/305220442.db2.gz PFZMLXDGSZFZKB-OIISXLGYSA-N 2 0 334.508 1.985 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@@H](COC)C1CC1 ZINC000442285065 305228232 /nfs/dbraw/zinc/22/82/32/305228232.db2.gz PIAVFSSREMAUPD-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccccc2O)CC1)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442758955 305229673 /nfs/dbraw/zinc/22/96/73/305229673.db2.gz CAIMSJFMPBSUNA-BZUAXINKSA-N 2 0 346.475 1.098 20 0 EDADRP C[C@H](CNC(=O)NCC[N@@H+]1CCCOCC1)[NH+]1CCCC[C@H]1C ZINC000446502153 305265998 /nfs/dbraw/zinc/26/59/98/305265998.db2.gz SVUBSTBFRIGDLJ-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[C@@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)CO ZINC000451247934 305335254 /nfs/dbraw/zinc/33/52/54/305335254.db2.gz CINCNHRIFCRGQD-FUHWJXTLSA-N 2 0 347.503 1.716 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C[NH2+][C@@H]2CCC23CCCC3)C1 ZINC000451469372 305348394 /nfs/dbraw/zinc/34/83/94/305348394.db2.gz MGULHEBTLUPGMM-DLBZAZTESA-N 2 0 337.508 1.772 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C[C@H]3C[NH+](Cc4ccccc4)CCCO3)C[C@@H]21 ZINC000451625567 305356899 /nfs/dbraw/zinc/35/68/99/305356899.db2.gz QGLLRGXZZVNVGQ-AQNXPRMDSA-N 2 0 329.488 1.913 20 0 EDADRP CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCCN1CC[NH+](C(C)C)CC1 ZINC000451782104 305368728 /nfs/dbraw/zinc/36/87/28/305368728.db2.gz JXYFTBDRHZGROP-SJORKVTESA-N 2 0 325.497 1.724 20 0 EDADRP [NH3+]CCCC[NH2+]Cc1ccc(OCCN2CCOCC2)c(Cl)c1 ZINC000414906565 447351877 /nfs/dbraw/zinc/35/18/77/447351877.db2.gz PFNOWXMVCWHKKX-UHFFFAOYSA-N 2 0 341.883 1.880 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1COCC1(C)C ZINC000459211801 305514987 /nfs/dbraw/zinc/51/49/87/305514987.db2.gz XLDRHTAQEFIBRX-HNNXBMFYSA-N 2 0 328.501 1.326 20 0 EDADRP CCC[C@@H]1CN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC[N@@H+]1CCOC ZINC000377779841 447352855 /nfs/dbraw/zinc/35/28/55/447352855.db2.gz PVICVLCGPHNHEO-BRWVUGGUSA-N 2 0 325.497 1.580 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C)nc3)cn2)CC1 ZINC000518763572 305763779 /nfs/dbraw/zinc/76/37/79/305763779.db2.gz XTUSXTOULQCCIG-UHFFFAOYSA-N 2 0 326.448 1.612 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000520368283 305778698 /nfs/dbraw/zinc/77/86/98/305778698.db2.gz JCQAMOUSRHUNPN-ROUUACIJSA-N 2 0 330.476 1.715 20 0 EDADRP CN(CCC(=O)N1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1cc[nH+]cc1 ZINC000542784786 306058239 /nfs/dbraw/zinc/05/82/39/306058239.db2.gz NNIDGPXGJJNYCE-FGTMMUONSA-N 2 0 346.475 1.618 20 0 EDADRP CN(CCC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)c1cc[nH+]cc1 ZINC000543712592 306067556 /nfs/dbraw/zinc/06/75/56/306067556.db2.gz HKMIHEMZRIYUKR-MRXNPFEDSA-N 2 0 332.448 1.089 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)CCN(C)c2cc[nH+]cc2)CC1 ZINC000543713100 306067630 /nfs/dbraw/zinc/06/76/30/306067630.db2.gz SPDDIIOCSHUEBC-UHFFFAOYSA-N 2 0 347.507 1.442 20 0 EDADRP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)C[NH+]1CCN(C)CC1 ZINC000545309824 306084029 /nfs/dbraw/zinc/08/40/29/306084029.db2.gz LBZCGNCILAUFQH-QGZVFWFLSA-N 2 0 338.540 1.641 20 0 EDADRP C[N@@H+]1CC[C@@](O)(CNC(=O)NCc2ccccc2C[NH+]2CCCC2)C1 ZINC000546590934 306093763 /nfs/dbraw/zinc/09/37/63/306093763.db2.gz BCFSNNJUMINBNM-LJQANCHMSA-N 2 0 346.475 1.148 20 0 EDADRP O=C(NC[C@H]1CCC[N@@H+]1Cc1ccccc1)NC[C@@H]1CCC[NH2+]C1 ZINC000557197039 306226176 /nfs/dbraw/zinc/22/61/76/306226176.db2.gz NLUDPCBMRJNPIH-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)NC[C@H]2CCCC[N@@H+]2CCO)CC1 ZINC000458453131 447374979 /nfs/dbraw/zinc/37/49/79/447374979.db2.gz ISZSOONODLUBMH-QGZVFWFLSA-N 2 0 340.512 1.254 20 0 EDADRP CC1(C)CC(NC(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC(C)(C)[NH2+]1 ZINC000419728603 447377308 /nfs/dbraw/zinc/37/73/08/447377308.db2.gz YLJZQYUHIGASRQ-HNNXBMFYSA-N 2 0 346.475 1.228 20 0 EDADRP Cc1ccc2ncc(C[NH2+]C[C@H](N3CC[NH2+]CC3)C(F)(F)F)n2c1 ZINC000414966038 447377330 /nfs/dbraw/zinc/37/73/30/447377330.db2.gz DHONMHDUTREFJX-AWEZNQCLSA-N 2 0 341.381 1.568 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000419765625 447400983 /nfs/dbraw/zinc/40/09/83/447400983.db2.gz QMFQIDAPQDBSJR-AWEZNQCLSA-N 2 0 334.464 1.171 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000415421001 447418817 /nfs/dbraw/zinc/41/88/17/447418817.db2.gz UMBQYASDUTYHTJ-CABCVRRESA-N 2 0 346.475 1.663 20 0 EDADRP CC(C)c1nc(N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)nc(N(C)C)n1 ZINC000378363502 447422362 /nfs/dbraw/zinc/42/23/62/447422362.db2.gz LSKYMICEOCMRNV-AWEZNQCLSA-N 2 0 347.511 1.641 20 0 EDADRP CCC[C@H](O)[C@@H](CO)[NH2+]Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000419823586 447434042 /nfs/dbraw/zinc/43/40/42/447434042.db2.gz OURYXQYQKYHHGQ-MJGOQNOKSA-N 2 0 335.492 1.440 20 0 EDADRP C[C@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000494452085 447437622 /nfs/dbraw/zinc/43/76/22/447437622.db2.gz JEESPYXIVXOHHG-GJZGRUSLSA-N 2 0 341.496 1.678 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000070815617 441121964 /nfs/dbraw/zinc/12/19/64/441121964.db2.gz AKFBIYUVMYDRCG-HOCLYGCPSA-N 2 0 330.432 1.074 20 0 EDADRP CC(C)[NH+](CC(N)=O)Cc1cccc(C[N@@H+](CC(N)=O)C(C)C)c1 ZINC000070981147 441131664 /nfs/dbraw/zinc/13/16/64/441131664.db2.gz AHWQQMFEIHSEBR-UHFFFAOYSA-N 2 0 334.464 1.078 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)CC1([NH+]2CCOCC2)CCCC1 ZINC000072908363 441276672 /nfs/dbraw/zinc/27/66/72/441276672.db2.gz HVKIUHSNZWHMEK-UHFFFAOYSA-N 2 0 341.496 1.106 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000073034758 441287632 /nfs/dbraw/zinc/28/76/32/441287632.db2.gz MJVTZMWKHROCBC-IRXDYDNUSA-N 2 0 338.540 1.497 20 0 EDADRP COC1CC[NH+]([C@@H](C)C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000073648311 441338405 /nfs/dbraw/zinc/33/84/05/441338405.db2.gz VTNGQXPAEUPNPF-WMZOPIPTSA-N 2 0 345.487 1.876 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](CC(=O)N3[C@H](C)CCC[C@@H]3C)C2)CC1 ZINC000107368571 441413416 /nfs/dbraw/zinc/41/34/16/441413416.db2.gz RSAABAJTHLMFQD-FGTMMUONSA-N 2 0 336.524 1.488 20 0 EDADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)N1CCN(C)CC1 ZINC000108450490 441453770 /nfs/dbraw/zinc/45/37/70/441453770.db2.gz WZVXFVPODRHDBD-QGZVFWFLSA-N 2 0 344.503 1.899 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)NCCN1CC[NH+](CC)CC1)c1ccccc1 ZINC000067483120 441645153 /nfs/dbraw/zinc/64/51/53/441645153.db2.gz ZJCNUJMSMZVCAJ-IBGZPJMESA-N 2 0 346.519 1.823 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1)[NH+]1CCCC1 ZINC000076599253 441663414 /nfs/dbraw/zinc/66/34/14/441663414.db2.gz GXKQVPKZPUDZTI-OAHLLOKOSA-N 2 0 346.475 1.330 20 0 EDADRP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(S(N)(=O)=O)cc2)C1 ZINC000091306036 441693896 /nfs/dbraw/zinc/69/38/96/441693896.db2.gz YKRNQQRGBPSWQF-UONOGXRCSA-N 2 0 325.478 1.717 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1 ZINC000056524554 441722485 /nfs/dbraw/zinc/72/24/85/441722485.db2.gz XPQKSNPBJBWUMK-UHFFFAOYSA-N 2 0 338.374 1.038 20 0 EDADRP C[C@@H](CCn1cccn1)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000158935232 441773462 /nfs/dbraw/zinc/77/34/62/441773462.db2.gz JCDSAZSWMPBVKP-INIZCTEOSA-N 2 0 349.523 1.878 20 0 EDADRP O=C1CNC(=O)N1CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121794788 441782892 /nfs/dbraw/zinc/78/28/92/441782892.db2.gz UOEWUUTVNVGBEP-UHFFFAOYSA-N 2 0 336.480 1.516 20 0 EDADRP C[C@@H]([NH2+]CCCC[NH+]1CCN(CCO)CC1)c1cccc(CO)c1 ZINC000121833430 441791078 /nfs/dbraw/zinc/79/10/78/441791078.db2.gz YQFTWSVQFAAUQN-QGZVFWFLSA-N 2 0 335.492 1.220 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)N1CCN(C)CC1)c1ccccc1 ZINC000121932723 441814235 /nfs/dbraw/zinc/81/42/35/441814235.db2.gz HRGORWLMFUVLPF-HKUYNNGSSA-N 2 0 346.519 1.822 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077774473 441857313 /nfs/dbraw/zinc/85/73/13/441857313.db2.gz VOYMXQMWTOQTPK-HZPDHXFCSA-N 2 0 340.512 1.110 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC1(O)CC[NH+](C)CC1)C1CCCCC1 ZINC000077774234 441857522 /nfs/dbraw/zinc/85/75/22/441857522.db2.gz YABRGUNKCMQHSO-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2(O)CC[NH+](C)CC2)C1 ZINC000077787279 441861479 /nfs/dbraw/zinc/86/14/79/441861479.db2.gz IXEAPQWNGYSLDW-HNNXBMFYSA-N 2 0 340.512 1.253 20 0 EDADRP COCCCNC(=O)[C@H](C)N(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000173976693 441871736 /nfs/dbraw/zinc/87/17/36/441871736.db2.gz XIGWIJNXSWDQGV-HKUYNNGSSA-N 2 0 347.503 1.982 20 0 EDADRP C[C@@H](C(=O)NCCC[N@H+](C)Cc1ccccc1)N1CCN(C)CC1 ZINC000121989053 441824309 /nfs/dbraw/zinc/82/43/09/441824309.db2.gz RJYDLFRSGJAXOG-KRWDZBQOSA-N 2 0 332.492 1.261 20 0 EDADRP C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151294557 442038895 /nfs/dbraw/zinc/03/88/95/442038895.db2.gz QIIMCBKCWRTCBP-JSGCOSHPSA-N 2 0 345.285 1.471 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)CCc1ccc(F)cc1F ZINC000126175288 442086522 /nfs/dbraw/zinc/08/65/22/442086522.db2.gz NJGFVMSZDMUDGM-UHFFFAOYSA-N 2 0 327.419 1.849 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC000175782930 442121195 /nfs/dbraw/zinc/12/11/95/442121195.db2.gz UXWFHWDUMGLCFQ-IRXDYDNUSA-N 2 0 338.496 1.082 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000176086748 442173971 /nfs/dbraw/zinc/17/39/71/442173971.db2.gz BKLSLNVGXDATFY-DOTOQJQBSA-N 2 0 325.497 1.580 20 0 EDADRP COCC[NH2+]CC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCC1 ZINC000163573645 442175055 /nfs/dbraw/zinc/17/50/55/442175055.db2.gz YOMZNVGPHRYIFN-MRXNPFEDSA-N 2 0 335.448 1.184 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]1)NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000168099735 442223050 /nfs/dbraw/zinc/22/30/50/442223050.db2.gz LLAVARFPMDRAJF-MOPGFXCFSA-N 2 0 345.487 1.690 20 0 EDADRP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)N1CC[NH+](C)CC1 ZINC000127817614 442227515 /nfs/dbraw/zinc/22/75/15/442227515.db2.gz PZRFISRBPMXMQK-HOTGVXAUSA-N 2 0 328.464 1.554 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](CC)C2CC2)[C@@H](C)C1 ZINC000152692799 442238163 /nfs/dbraw/zinc/23/81/63/442238163.db2.gz NMTMERXTQQBRPU-DOTOQJQBSA-N 2 0 325.497 1.724 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NCCN2CC[NH+](C)CC2)cc1)C(C)C ZINC000170920292 442288455 /nfs/dbraw/zinc/28/84/55/442288455.db2.gz VIGSSIHKYALMLU-UHFFFAOYSA-N 2 0 346.519 1.894 20 0 EDADRP c1cn(-c2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cn2)cn1 ZINC000177277012 442324013 /nfs/dbraw/zinc/32/40/13/442324013.db2.gz ZPFFQNHNILBABS-UHFFFAOYSA-N 2 0 341.459 1.812 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)CC1 ZINC000129632758 442325799 /nfs/dbraw/zinc/32/57/99/442325799.db2.gz SGHTUAKVDJJEKT-AEFFLSMTSA-N 3 0 347.507 1.755 20 0 EDADRP Cc1nccn1C[C@@H](C)CNC(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000129648971 442326307 /nfs/dbraw/zinc/32/63/07/442326307.db2.gz GSXQJOQDGBICLT-HOCLYGCPSA-N 2 0 342.447 1.801 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)NC(=O)C[NH2+]C2CC2)CC1 ZINC000154680721 442351909 /nfs/dbraw/zinc/35/19/09/442351909.db2.gz UPESJXCWUINFKP-CQSZACIVSA-N 2 0 348.466 1.897 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)N2CCCC[C@@H]2c2ncc[nH]2)CC1 ZINC000154034581 442317502 /nfs/dbraw/zinc/31/75/02/442317502.db2.gz YDCIOJPTJSAESL-MRXNPFEDSA-N 2 0 348.495 1.674 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000130755089 442355351 /nfs/dbraw/zinc/35/53/51/442355351.db2.gz KDXRLILJDSBKAJ-SUMDDJOVSA-N 2 0 348.491 1.261 20 0 EDADRP C(=C/CN1CCC[N@@H+](C2CC2)CC1)\CN1CCC[NH+](C2CC2)CC1 ZINC000172544088 442486306 /nfs/dbraw/zinc/48/63/06/442486306.db2.gz BGEYDYJTHVDIDR-OWOJBTEDSA-N 2 0 332.536 1.883 20 0 EDADRP CS[C@@H]1CCCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000134559432 442495514 /nfs/dbraw/zinc/49/55/14/442495514.db2.gz HAEDLOMXZFADBV-MRXNPFEDSA-N 2 0 325.522 1.947 20 0 EDADRP COC1(C(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000178857843 442504580 /nfs/dbraw/zinc/50/45/80/442504580.db2.gz XNSUTLNWOSOLFS-INIZCTEOSA-N 2 0 333.476 1.782 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCC3=CC[NH2+]CC3)c2)CC1 ZINC000186371195 442521280 /nfs/dbraw/zinc/52/12/80/442521280.db2.gz KVQHHNFNMHRULO-UHFFFAOYSA-N 2 0 328.460 1.084 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+](C)CCNC(=O)C(C)C)c2cc1C ZINC000157498955 442588560 /nfs/dbraw/zinc/58/85/60/442588560.db2.gz DDGSWHOGMILUCG-MRXNPFEDSA-N 2 0 346.475 1.718 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1CCS(=O)(=O)CC1 ZINC000187164559 442657600 /nfs/dbraw/zinc/65/76/00/442657600.db2.gz UCNVJWSHZUSWHA-OAHLLOKOSA-N 2 0 345.553 1.063 20 0 EDADRP COC(=O)[C@@H](C)C[N@H+](CCCN1CC[NH+](C(C)C)CC1)C1CC1 ZINC000192730869 442681354 /nfs/dbraw/zinc/68/13/54/442681354.db2.gz QKKCEDUPOYHMEW-INIZCTEOSA-N 2 0 325.497 1.676 20 0 EDADRP CO[C@@H]1C[NH2+][C@@H](C(=O)NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000187903272 442697238 /nfs/dbraw/zinc/69/72/38/442697238.db2.gz FFQDZMUPKBDAJZ-ZWKOTPCHSA-N 2 0 331.460 1.453 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC[NH+]1CCCOCC1 ZINC000187193843 442659577 /nfs/dbraw/zinc/65/95/77/442659577.db2.gz WZACMYWAMYMCIX-MRXNPFEDSA-N 2 0 326.485 1.272 20 0 EDADRP CC(C)[N@H+](C)Cc1cccc(CNC(=O)c2[nH]nc3c2C[NH2+]CC3)c1 ZINC000188739788 442800497 /nfs/dbraw/zinc/80/04/97/442800497.db2.gz YFVZIQLRFQGKRF-UHFFFAOYSA-N 2 0 341.459 1.826 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](Cc1ccccc1)[NH+](C)C ZINC000267987442 442808279 /nfs/dbraw/zinc/80/82/79/442808279.db2.gz PPWDGDDLDYCDQU-QZTJIDSGSA-N 2 0 335.492 1.632 20 0 EDADRP C[NH+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000268098575 442846741 /nfs/dbraw/zinc/84/67/41/442846741.db2.gz HQRSFCPCAVPQKE-KRWDZBQOSA-N 2 0 345.491 1.146 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000188990928 442856261 /nfs/dbraw/zinc/85/62/61/442856261.db2.gz AIQCIKCFWHHEPV-RHSMWYFYSA-N 2 0 337.414 1.868 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000188990975 442856503 /nfs/dbraw/zinc/85/65/03/442856503.db2.gz AIQCIKCFWHHEPV-YOEHRIQHSA-N 2 0 337.414 1.868 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@H](O)COc1ccccc1F ZINC000182969209 442857869 /nfs/dbraw/zinc/85/78/69/442857869.db2.gz DOCFTBLCLAZOLH-INIZCTEOSA-N 2 0 339.455 1.135 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@H]1[NH+](C)C ZINC000268141582 442866146 /nfs/dbraw/zinc/86/61/46/442866146.db2.gz FSWICVGDSSOLIQ-MLGOLLRUSA-N 2 0 347.463 1.261 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC1 ZINC000184964810 318540432 /nfs/dbraw/zinc/54/04/32/318540432.db2.gz LLGMUJFSXMZLMT-INIZCTEOSA-N 2 0 340.512 1.661 20 0 EDADRP COc1cccc([C@H](CNC(=O)NC[C@H]2CCC[N@@H+]2C)[NH+](C)C)c1 ZINC000195122223 442985039 /nfs/dbraw/zinc/98/50/39/442985039.db2.gz OIZOODXFTIYMKL-WBVHZDCISA-N 2 0 334.464 1.691 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000195142892 442988984 /nfs/dbraw/zinc/98/89/84/442988984.db2.gz DYAPMNGXLBFHAC-UHFFFAOYSA-N 2 0 348.491 1.658 20 0 EDADRP CC[C@]1(CO)CCC[NH+]1CC1(C[N@H+]2CCC[C@@]2(CC)CO)COC1 ZINC000189681640 442993439 /nfs/dbraw/zinc/99/34/39/442993439.db2.gz QFQZGZLSMUQKTP-KDURUIRLSA-N 2 0 340.508 1.477 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000189701735 442995490 /nfs/dbraw/zinc/99/54/90/442995490.db2.gz VACLJEZUXPLWDP-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000266107184 443019514 /nfs/dbraw/zinc/01/95/14/443019514.db2.gz FCRJJZGOUHJBBQ-IBGZPJMESA-N 2 0 344.503 1.751 20 0 EDADRP CC[C@H]([NH2+]C[C@H](O)CN1CCc2ccccc2C1)c1cnn(C)c1 ZINC000268748023 443096106 /nfs/dbraw/zinc/09/61/06/443096106.db2.gz GPTHHZIACXRJPC-OALUTQOASA-N 2 0 328.460 1.880 20 0 EDADRP CN(C(=O)CC[NH+]1CCN(c2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000266214369 443060474 /nfs/dbraw/zinc/06/04/74/443060474.db2.gz JVQDXQALAPMHSS-UHFFFAOYSA-N 2 0 344.503 1.751 20 0 EDADRP C[C@H](NC[C@H](O)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268878631 443135321 /nfs/dbraw/zinc/13/53/21/443135321.db2.gz XCVFFGVLKNYUOZ-WMZOPIPTSA-N 2 0 335.492 1.734 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[NH2+]C3CC3)cc2)CC1 ZINC000237209973 443164269 /nfs/dbraw/zinc/16/42/69/443164269.db2.gz IXBMOAJNZLYJSC-UHFFFAOYSA-N 2 0 332.448 1.003 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000266649478 443196902 /nfs/dbraw/zinc/19/69/02/443196902.db2.gz XVDLJYAFSZBVMU-STQMWFEESA-N 2 0 345.447 1.457 20 0 EDADRP [NH3+][C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCOCC1 ZINC000262163877 443184777 /nfs/dbraw/zinc/18/47/77/443184777.db2.gz YCHJYKAMDYOFJR-WMZOPIPTSA-N 2 0 337.508 1.855 20 0 EDADRP [NH3+]CC1(CC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000185350716 443187390 /nfs/dbraw/zinc/18/73/90/443187390.db2.gz LKBZNDNXGMMEIU-UHFFFAOYSA-N 2 0 337.508 1.857 20 0 EDADRP COC[C@@H]([NH3+])C(=O)N[C@H](C[N@@H+]1CCc2ccccc2C1)C(C)(C)C ZINC000262349003 443191246 /nfs/dbraw/zinc/19/12/46/443191246.db2.gz UFMGDCBNYBBKSY-IAGOWNOFSA-N 2 0 333.476 1.549 20 0 EDADRP CCOC(=O)N1CCC([NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000236879491 443150762 /nfs/dbraw/zinc/15/07/62/443150762.db2.gz QPENAEQGZOFLIJ-KRWDZBQOSA-N 2 0 340.512 1.469 20 0 EDADRP CC[C@@H](CNC(=O)C[NH2+]C[C@@H]1CCCO1)[N@@H+]1CCc2ccccc2C1 ZINC000236956801 443153679 /nfs/dbraw/zinc/15/36/79/443153679.db2.gz FWOGEHSPYVPDER-OALUTQOASA-N 2 0 345.487 1.708 20 0 EDADRP O=C(NCCCN1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000269107999 443199534 /nfs/dbraw/zinc/19/95/34/443199534.db2.gz LRPKBQAYSDOYDQ-UHFFFAOYSA-N 2 0 344.503 1.310 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)NC[C@H]([NH3+])C(C)C)CC2)c1 ZINC000269244514 443248486 /nfs/dbraw/zinc/24/84/86/443248486.db2.gz DKVCKILLEHNCLX-SFHVURJKSA-N 2 0 332.492 1.607 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1nccn2ccnc12 ZINC000266812891 443252842 /nfs/dbraw/zinc/25/28/42/443252842.db2.gz IANKVJFEMYRDJV-HNNXBMFYSA-N 2 0 344.463 1.217 20 0 EDADRP O=C(C[C@H]1C[NH2+]CCO1)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000269260858 443256138 /nfs/dbraw/zinc/25/61/38/443256138.db2.gz WIFOHNGOKSKMMN-GJZGRUSLSA-N 2 0 337.489 1.455 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000414648751 319335849 /nfs/dbraw/zinc/33/58/49/319335849.db2.gz BIYXLGOFUODABA-UHFFFAOYSA-N 2 0 346.475 1.770 20 0 EDADRP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C[C@@H]1COc2ccccc2O1 ZINC000414673427 319339744 /nfs/dbraw/zinc/33/97/44/319339744.db2.gz CFYGZOCNXSXDCV-JKSUJKDBSA-N 2 0 347.459 1.346 20 0 EDADRP COCC[N@H+](CCCc1ccccc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414693449 319343550 /nfs/dbraw/zinc/34/35/50/319343550.db2.gz RMRMMSMXVVLUIN-LJQANCHMSA-N 2 0 347.503 1.765 20 0 EDADRP Cc1ccc(NC(=O)C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000264304707 443258927 /nfs/dbraw/zinc/25/89/27/443258927.db2.gz XEAGRFGEPKLLHQ-MRXNPFEDSA-N 2 0 333.476 1.958 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1 ZINC000415904582 319383087 /nfs/dbraw/zinc/38/30/87/319383087.db2.gz GMXLRTHHISEHTF-GJZGRUSLSA-N 2 0 334.464 1.715 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000185814695 443263165 /nfs/dbraw/zinc/26/31/65/443263165.db2.gz QNHRLWLKRUDLKL-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP CCNc1nc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)cs1 ZINC000269365628 443294093 /nfs/dbraw/zinc/29/40/93/443294093.db2.gz VOSKIFRDAHTWAJ-UHFFFAOYSA-N 2 0 341.525 1.921 20 0 EDADRP CN1CCC(CNC(=O)CCc2ccncn2)([NH+]2CCCCC2)CC1 ZINC000191265689 443268538 /nfs/dbraw/zinc/26/85/38/443268538.db2.gz NQHXAYFFKCWFCD-UHFFFAOYSA-N 2 0 345.491 1.476 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCCCC[NH3+])[NH+]2CCCC2)c1 ZINC000416853951 319467177 /nfs/dbraw/zinc/46/71/77/319467177.db2.gz OQDMXFZPFWPHSM-KRWDZBQOSA-N 2 0 334.464 1.870 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000416867691 319468149 /nfs/dbraw/zinc/46/81/49/319468149.db2.gz CZPYRPIZXZNRKI-UHFFFAOYSA-N 2 0 326.485 1.402 20 0 EDADRP CCC(CC)[C@H](CNC(=O)NCCN1CC[NH2+]CC1)[NH+]1CCCC1 ZINC000416946656 319482654 /nfs/dbraw/zinc/48/26/54/319482654.db2.gz GGGYFAQHRJYXBP-KRWDZBQOSA-N 2 0 339.528 1.091 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCc1ccc(OCCC[NH+](C)C)cc1 ZINC000267057082 443326996 /nfs/dbraw/zinc/32/69/96/443326996.db2.gz OKWSTNSOBADMPX-UHFFFAOYSA-N 2 0 336.480 1.720 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)C2)CC1 ZINC000418794450 319512569 /nfs/dbraw/zinc/51/25/69/319512569.db2.gz PMEPKWWWQFSTAM-BSDSXHPESA-N 2 0 334.508 1.748 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278602973 443374679 /nfs/dbraw/zinc/37/46/79/443374679.db2.gz IXAIFIHGPBXVHP-QGZVFWFLSA-N 2 0 331.460 1.870 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000419236799 319574192 /nfs/dbraw/zinc/57/41/92/319574192.db2.gz OEKUCBRYFYIJSW-OAHLLOKOSA-N 2 0 326.485 1.001 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1(O)CC[NH+](C)CC1 ZINC000267168036 443365176 /nfs/dbraw/zinc/36/51/76/443365176.db2.gz UEALZUHRJUHLNK-UHFFFAOYSA-N 2 0 345.443 1.681 20 0 EDADRP CCC[C@H](C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1)[NH+](C)C ZINC000269912740 443455461 /nfs/dbraw/zinc/45/54/61/443455461.db2.gz RJQXYJIAONOMCI-LJQANCHMSA-N 2 0 347.503 1.990 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000422929094 319737989 /nfs/dbraw/zinc/73/79/89/319737989.db2.gz OGCZPTKOKYQZFK-RDJZCZTQSA-N 2 0 339.505 1.934 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(Cc1ccncc1)C(=O)[C@@H]1CCC[NH+]1C ZINC000264981753 443499277 /nfs/dbraw/zinc/49/92/77/443499277.db2.gz LNWKNWBKZGTZJA-ROUUACIJSA-N 2 0 330.476 1.989 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000423389599 319769935 /nfs/dbraw/zinc/76/99/35/319769935.db2.gz VFQVPAFNOSXNPJ-BBRMVZONSA-N 2 0 333.432 1.219 20 0 EDADRP C[C@@H]([NH2+]C1(CNC(=O)C2(C)C[NH2+]C2)CCOCC1)c1ccccc1 ZINC000423430802 319774582 /nfs/dbraw/zinc/77/45/82/319774582.db2.gz QGBALFLRPWSBAZ-OAHLLOKOSA-N 2 0 331.460 1.612 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000273098553 443538663 /nfs/dbraw/zinc/53/86/63/443538663.db2.gz PHCBCUOKPBKYND-IEBWSBKVSA-N 2 0 345.487 1.736 20 0 EDADRP CC(C)[C@@H](C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC000427145999 319891395 /nfs/dbraw/zinc/89/13/95/319891395.db2.gz CKKIQWVNRYDNJY-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000427291618 319895596 /nfs/dbraw/zinc/89/55/96/319895596.db2.gz IFAJSZJSIDBMJK-KRWDZBQOSA-N 2 0 330.476 1.315 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCO1 ZINC000265414911 443634502 /nfs/dbraw/zinc/63/45/02/443634502.db2.gz ICBFEEPJDADKJZ-QZTJIDSGSA-N 2 0 346.475 1.233 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@H]3CC[N@H+](C)C[C@H]32)c1 ZINC000272338188 443596639 /nfs/dbraw/zinc/59/66/39/443596639.db2.gz OJPFPAFYTGTFGU-NVXWUHKLSA-N 2 0 344.459 1.239 20 0 EDADRP CO[C@H]1CC[N@@H+]([C@H](C)C(=O)NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000267850189 443597954 /nfs/dbraw/zinc/59/79/54/443597954.db2.gz WLSQSWHBXYOXDJ-APWZRJJASA-N 2 0 345.487 1.876 20 0 EDADRP C[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc2ccccc2n1C ZINC000433144193 319971846 /nfs/dbraw/zinc/97/18/46/319971846.db2.gz LEHOOCJUUACMFN-CQSZACIVSA-N 2 0 343.475 1.954 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000439351726 320045951 /nfs/dbraw/zinc/04/59/51/320045951.db2.gz WQUSUCPGFPGESH-HNNXBMFYSA-N 2 0 346.475 1.548 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449364660 320184575 /nfs/dbraw/zinc/18/45/75/320184575.db2.gz OAABTAVFFZWPNE-GVDBMIGSSA-N 2 0 325.497 1.853 20 0 EDADRP O=C(N1CCC[C@H]([C@H]2CC[NH2+]C2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449702135 320200259 /nfs/dbraw/zinc/20/02/59/320200259.db2.gz RSBCUZARCZNSLB-ABSDTBQOSA-N 2 0 327.472 1.766 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N[C@H]3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000449727272 320202508 /nfs/dbraw/zinc/20/25/08/320202508.db2.gz PCQZSQXIWNFKSN-WBVHZDCISA-N 2 0 330.476 1.686 20 0 EDADRP C[C@H]1CN(CCO)CCN1C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000457143374 320320624 /nfs/dbraw/zinc/32/06/24/320320624.db2.gz ZQOFPSAKJBEXCY-KRWDZBQOSA-N 2 0 345.487 1.811 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCCCC2)C[C@H](C)[N@H+]1CCO ZINC000457445957 320326150 /nfs/dbraw/zinc/32/61/50/320326150.db2.gz XIKTYSWVFKNVQB-IYBDPMFKSA-N 2 0 340.512 1.347 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2C[C@@H](C)[NH+](CCO)[C@@H](C)C2)C1 ZINC000458547581 320337379 /nfs/dbraw/zinc/33/73/79/320337379.db2.gz XNUDMVHZHSIDBT-IXDOHACOSA-N 2 0 340.512 1.061 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/c1ccncc1 ZINC000491348462 320369064 /nfs/dbraw/zinc/36/90/64/320369064.db2.gz FXIVFKZOXNTEPB-DVBCCOPCSA-N 2 0 330.476 1.969 20 0 EDADRP C[NH+](C)C/C=C\C(=O)Nc1cccc(NC(=O)/C=C\C[NH+](C)C)c1 ZINC000492986395 320392418 /nfs/dbraw/zinc/39/24/18/320392418.db2.gz QSHRBNYXXFKPGW-SQXCDDPUSA-N 2 0 330.432 1.799 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)CC[C@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000519597041 320468265 /nfs/dbraw/zinc/46/82/65/320468265.db2.gz KUSNFMMYDJPNEK-PKOBYXMFSA-N 2 0 344.503 1.481 20 0 EDADRP Cc1csc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)n1 ZINC000298743031 443856319 /nfs/dbraw/zinc/85/63/19/443856319.db2.gz QKRWMIYYYHHCAG-UHFFFAOYSA-N 2 0 341.525 1.867 20 0 EDADRP O=C(NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccc2c[nH+]cn2c1 ZINC000285227957 443903263 /nfs/dbraw/zinc/90/32/63/443903263.db2.gz KJKMJFXKWHIPCA-ROUUACIJSA-N 2 0 342.443 1.832 20 0 EDADRP C[C@H](NC(=O)NC[C@H]1C[N@H+](C)CCN1C)[C@H](c1ccccc1)[NH+](C)C ZINC000288741206 443969738 /nfs/dbraw/zinc/96/97/38/443969738.db2.gz BMJBXYAVYJWHCR-RYQLBKOJSA-N 2 0 347.507 1.223 20 0 EDADRP C[N@H+](CC[C@H]1CCOC1=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285430796 443981897 /nfs/dbraw/zinc/98/18/97/443981897.db2.gz KOLCYWTUNKCVGL-IBGZPJMESA-N 2 0 345.487 1.689 20 0 EDADRP c1ncn(CC[N@@H+]2CC[C@@H](Oc3cccnc3N3CCCC3)C2)n1 ZINC000289032557 444038024 /nfs/dbraw/zinc/03/80/24/444038024.db2.gz BBFOIVTXCRGCCS-OAHLLOKOSA-N 2 0 328.420 1.427 20 0 EDADRP Cc1ccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000299462993 444052947 /nfs/dbraw/zinc/05/29/47/444052947.db2.gz CJZZUGHWPOQPQQ-UHFFFAOYSA-N 2 0 328.416 1.925 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@H]3CCC[N@@H+]3C)cc2)CC1 ZINC000299553413 444077720 /nfs/dbraw/zinc/07/77/20/444077720.db2.gz QYCAQSWSJRXMCV-LJQANCHMSA-N 2 0 344.503 1.535 20 0 EDADRP [NH3+][C@H](CNC(=O)NCC1([NH+]2CCSCC2)CCCC1)C1CC1 ZINC000561143095 321034718 /nfs/dbraw/zinc/03/47/18/321034718.db2.gz BTWJBVJXMUDWMR-CQSZACIVSA-N 2 0 326.510 1.385 20 0 EDADRP C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1ccc2n[nH]cc2c1 ZINC000561573382 321042772 /nfs/dbraw/zinc/04/27/72/321042772.db2.gz BXNZOTWRUVOBQE-AWEZNQCLSA-N 2 0 346.479 1.759 20 0 EDADRP CN(CCC[NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000565372249 321184814 /nfs/dbraw/zinc/18/48/14/321184814.db2.gz JONQMPBEQAVVMU-UHFFFAOYSA-N 2 0 334.464 1.134 20 0 EDADRP Cc1c(CC(=O)Nc2c[nH+]ccc2N2CCN(C)CC2)cnn1C ZINC000565458111 321187371 /nfs/dbraw/zinc/18/73/71/321187371.db2.gz VUFCVSKLSIWHBP-UHFFFAOYSA-N 2 0 328.420 1.057 20 0 EDADRP O=C(NC[C@H]1C[NH2+]CCO1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000565881427 321204958 /nfs/dbraw/zinc/20/49/58/321204958.db2.gz JUAMJNCJFSPTRS-ZWKOTPCHSA-N 2 0 346.475 1.329 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)COc1ccccc1 ZINC000566116826 321217613 /nfs/dbraw/zinc/21/76/13/321217613.db2.gz QQONLYPYIUNNEZ-NZSAHSFTSA-N 2 0 334.460 1.394 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N2CCc3ccccc3[C@@H]2C[NH3+])CCSC1 ZINC000566795340 321234005 /nfs/dbraw/zinc/23/40/05/321234005.db2.gz LKBDVFGHJPZTKA-WMZOPIPTSA-N 2 0 348.516 1.691 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000567647030 321250528 /nfs/dbraw/zinc/25/05/28/321250528.db2.gz LWLROALLXWNKRT-ZNMIVQPWSA-N 2 0 334.464 1.361 20 0 EDADRP O=C(N[C@H]1CC[NH2+]C1)N[C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000568294023 321287026 /nfs/dbraw/zinc/28/70/26/321287026.db2.gz IXGMEAVFJBMEMD-QWHCGFSZSA-N 2 0 338.402 1.590 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000570038810 321335351 /nfs/dbraw/zinc/33/53/51/321335351.db2.gz KBDBHHDPBDUSCM-OAHLLOKOSA-N 2 0 333.480 1.679 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]CC1(CN2CCOCC2)CCCCC1 ZINC000570708588 321354697 /nfs/dbraw/zinc/35/46/97/321354697.db2.gz BOGZAYCRLVZVGS-RCCFBDPRSA-N 2 0 339.524 1.611 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000570813811 321359679 /nfs/dbraw/zinc/35/96/79/321359679.db2.gz KKNZIQHLVWEAPV-GOEBONIOSA-N 2 0 331.464 1.502 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)[C@@H]2CCc3cncn3C2)cc1F ZINC000571566734 321392751 /nfs/dbraw/zinc/39/27/51/321392751.db2.gz WCBKDPXGOBVGQS-OAHLLOKOSA-N 2 0 330.407 1.963 20 0 EDADRP C[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000571676000 321396889 /nfs/dbraw/zinc/39/68/89/321396889.db2.gz NQXWQKCCSJMVHP-RDTXWAMCSA-N 2 0 331.460 1.258 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000571743675 321399249 /nfs/dbraw/zinc/39/92/49/321399249.db2.gz MYHPZRVPXTZCNP-JKSUJKDBSA-N 2 0 348.495 1.831 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000571773325 321399909 /nfs/dbraw/zinc/39/99/09/321399909.db2.gz PGCKJSLGPOWCOM-ICSRJNTNSA-N 2 0 344.503 1.944 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000572138643 321418047 /nfs/dbraw/zinc/41/80/47/321418047.db2.gz HEJWLIJRGIVSCE-AEFFLSMTSA-N 2 0 325.416 1.723 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1F)[NH+]1CCC(CC[NH3+])CC1 ZINC000573258192 321446766 /nfs/dbraw/zinc/44/67/66/321446766.db2.gz URRZZCOSAAKSMB-GFCCVEGCSA-N 2 0 336.411 1.923 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(C(=O)COc2ccccc2)C1 ZINC000282327676 444149280 /nfs/dbraw/zinc/14/92/80/444149280.db2.gz FNARJBIWZDSXBV-VXIBKDFQSA-N 2 0 345.487 1.985 20 0 EDADRP COC(=O)CC[N@@H+]1CCN(CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000294931475 444159847 /nfs/dbraw/zinc/15/98/47/444159847.db2.gz HJWWWNZPSJLMNS-KRWDZBQOSA-N 2 0 333.476 1.688 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000575136134 321516763 /nfs/dbraw/zinc/51/67/63/321516763.db2.gz VIGFSCRJHQROQW-MRXNPFEDSA-N 2 0 333.480 1.249 20 0 EDADRP CN1CCN(C(=O)CC2CCN(c3nc4ccccc4[nH]3)CC2)CC1 ZINC000301869498 444194362 /nfs/dbraw/zinc/19/43/62/444194362.db2.gz IERSLCGRKQGYJU-UHFFFAOYSA-N 2 0 341.459 1.943 20 0 EDADRP Cc1nn2c(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c(C)nc2s1 ZINC000290155241 444249127 /nfs/dbraw/zinc/24/91/27/444249127.db2.gz LLXQIQZLXBASAP-UHFFFAOYSA-N 2 0 338.525 1.723 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)[NH+]2CCCC2)cc1 ZINC000576927013 321607235 /nfs/dbraw/zinc/60/72/35/321607235.db2.gz PLORMMKSQJYFHS-XWTMOSNGSA-N 2 0 344.459 1.349 20 0 EDADRP CO[C@H](C[NH3+])C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000290017523 444231631 /nfs/dbraw/zinc/23/16/31/444231631.db2.gz FCWXTQOMOFHQJS-GOSISDBHSA-N 2 0 349.475 1.148 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000303271504 444236063 /nfs/dbraw/zinc/23/60/63/444236063.db2.gz JTTVNBGOTXXJOG-RYRKJORJSA-N 2 0 339.524 1.706 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000577614535 321667405 /nfs/dbraw/zinc/66/74/05/321667405.db2.gz FXSKRZQSHXXMIM-CQSZACIVSA-N 2 0 327.375 1.354 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000297703250 444321347 /nfs/dbraw/zinc/32/13/47/444321347.db2.gz YGYVXFXPDXCOFA-MQVJKMGUSA-N 2 0 334.464 1.978 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000305770912 444279572 /nfs/dbraw/zinc/27/95/72/444279572.db2.gz PIMPBSFOLRJTDS-RYQLBKOJSA-N 2 0 339.524 1.991 20 0 EDADRP C[C@H]1CCN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1C[NH3+] ZINC000578121859 321724633 /nfs/dbraw/zinc/72/46/33/321724633.db2.gz VRFCBADKLQNMNC-MAUKXSAKSA-N 2 0 344.503 1.712 20 0 EDADRP CC(C)CCOCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000321959679 444338101 /nfs/dbraw/zinc/33/81/01/444338101.db2.gz XKKAJUDBGVRJJI-DLBZAZTESA-N 2 0 325.497 1.629 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCCN3C(=O)c4ccccc4C3=O)C[C@@H]21 ZINC000325693847 444368051 /nfs/dbraw/zinc/36/80/51/444368051.db2.gz RBFARYDBSXGLDF-XOKHGSTOSA-N 2 0 327.428 1.732 20 0 EDADRP C[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)[C@H](n2cncn2)C1 ZINC000328842960 444371495 /nfs/dbraw/zinc/37/14/95/444371495.db2.gz QICZROGWYYICAZ-RSRPTUBKSA-N 2 0 347.507 1.975 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)NCCC[C@H]3CCC[NH2+]3)c2)CC1 ZINC000578511045 321786581 /nfs/dbraw/zinc/78/65/81/321786581.db2.gz HTLLPHQKELTNQE-LJQANCHMSA-N 2 0 344.503 1.696 20 0 EDADRP CC1CCC(N(C)C(=O)C[NH+]2CCC(OCCC[NH3+])CC2)CC1 ZINC000321558542 444336498 /nfs/dbraw/zinc/33/64/98/444336498.db2.gz QFEXVIYTPSTOFL-UHFFFAOYSA-N 2 0 325.497 1.853 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@@H]2CCCCC[NH2+]2)CC1 ZINC000580332445 322038852 /nfs/dbraw/zinc/03/88/52/322038852.db2.gz UOTFUOSVARVARM-KRWDZBQOSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CCCCC[NH2+]2)CC1 ZINC000580332446 322039321 /nfs/dbraw/zinc/03/93/21/322039321.db2.gz UOTFUOSVARVARM-QGZVFWFLSA-N 2 0 325.497 1.868 20 0 EDADRP C[C@H]1[C@H](NC(=O)NCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000580420796 322048275 /nfs/dbraw/zinc/04/82/75/322048275.db2.gz QVWJKYZCVWRFBE-MAUKXSAKSA-N 2 0 328.460 1.868 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@@H]2CC[NH2+][C@H]2C)[NH+]2CCCC2)cc1 ZINC000580426005 322048998 /nfs/dbraw/zinc/04/89/98/322048998.db2.gz XJANWAOIGLXELC-QGTPRVQTSA-N 2 0 331.460 1.946 20 0 EDADRP O[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Cc1ccccc1 ZINC000580545199 322064155 /nfs/dbraw/zinc/06/41/55/322064155.db2.gz IALZFAGNABCKPB-NHCUHLMSSA-N 2 0 340.467 1.946 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)cc1 ZINC000580831759 322101300 /nfs/dbraw/zinc/10/13/00/322101300.db2.gz GZPDXHVULFRLGH-UHFFFAOYSA-N 2 0 346.475 1.399 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N3CCC(CC[NH3+])CC3)c2)CC1 ZINC000581831446 322222445 /nfs/dbraw/zinc/22/24/45/322222445.db2.gz BUNSUTGEZHJFII-UHFFFAOYSA-N 2 0 344.503 1.635 20 0 EDADRP Cn1ccnc1[C@@H]1N(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CC1(C)C ZINC000581993166 322241891 /nfs/dbraw/zinc/24/18/91/322241891.db2.gz SXLZSYCSHNIJBZ-QWRGUYRKSA-N 2 0 327.379 1.510 20 0 EDADRP CCC[C@@H](C(=O)N1CC[C@H](OCC[NH+]2CCCCC2)C1)[NH+](C)C ZINC000343851351 444627700 /nfs/dbraw/zinc/62/77/00/444627700.db2.gz OXGHPKNDTJNTNZ-IRXDYDNUSA-N 2 0 325.497 1.820 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)NC[C@H]1CCCn2cc(C)nc21)C(C)C ZINC000342280630 444610697 /nfs/dbraw/zinc/61/06/97/444610697.db2.gz NTLCZHQGBQOACF-OAHLLOKOSA-N 2 0 349.479 1.032 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]CCO3)C[C@H]1C ZINC000333263146 444651690 /nfs/dbraw/zinc/65/16/90/444651690.db2.gz FEPINOJYLGJZCZ-ZIAGYGMSSA-N 2 0 348.447 1.087 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)N3CC[C@H](C[NH+]4CCCC4)C3)cc2C1 ZINC000333341042 444659090 /nfs/dbraw/zinc/65/90/90/444659090.db2.gz PRVZNAGPVPOAKN-GDBMZVCRSA-N 2 0 343.475 1.847 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000333409278 444665253 /nfs/dbraw/zinc/66/52/53/444665253.db2.gz QZWLDBOCFAUVCR-QRVBRYPASA-N 2 0 343.471 1.446 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NC1CCC(N2CC[NH2+]CC2)CC1 ZINC000333486746 444675408 /nfs/dbraw/zinc/67/54/08/444675408.db2.gz CUKKYMBTGHBEQI-RDHHWEPZSA-N 2 0 337.512 1.114 20 0 EDADRP O=C(C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)NCCC1CCCCC1 ZINC000333888417 444709018 /nfs/dbraw/zinc/70/90/18/444709018.db2.gz WKRQEMQNLRRARW-MSOLQXFVSA-N 2 0 349.519 1.773 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000333946607 444726058 /nfs/dbraw/zinc/72/60/58/444726058.db2.gz UVEKCKNYQAPSFD-LSDHHAIUSA-N 2 0 331.464 1.438 20 0 EDADRP C[C@@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1)C[NH+]1CCCC1 ZINC000333778538 444696877 /nfs/dbraw/zinc/69/68/77/444696877.db2.gz KMQVLSZMAHIFNV-UAGQMJEPSA-N 2 0 338.496 1.256 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341238810 444744657 /nfs/dbraw/zinc/74/46/57/444744657.db2.gz JOVODUCOXCWTIP-MNEFBYGVSA-N 2 0 344.503 1.941 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000342691660 444817009 /nfs/dbraw/zinc/81/70/09/444817009.db2.gz IDPOZUFDQMFYON-KSSFIOAISA-N 2 0 331.460 1.970 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[NH+](C)C2CC2)C[C@@H]1CC ZINC000342630960 444786985 /nfs/dbraw/zinc/78/69/85/444786985.db2.gz BMJYGRPQNULDHY-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCc2ccncc2OCC[NH+](C)C)CCC[N@@H+]1C ZINC000341444270 444835736 /nfs/dbraw/zinc/83/57/36/444835736.db2.gz ZBSCLZOOJZJOQS-GDBMZVCRSA-N 2 0 349.479 1.304 20 0 EDADRP O=C(NCCCC[N@H+]1CCC[C@@H]1CO)[C@H]1CCC[NH+]1C1CCCC1 ZINC000342950671 444961644 /nfs/dbraw/zinc/96/16/44/444961644.db2.gz MDNALBKRSOEDIN-QZTJIDSGSA-N 2 0 337.508 1.747 20 0 EDADRP COC(=O)[C@H]1CC12CC[NH+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000337210546 444987712 /nfs/dbraw/zinc/98/77/12/444987712.db2.gz CRBHTRGDSPWVTI-QGZVFWFLSA-N 2 0 337.508 1.678 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)[C@H]2CCOC2)CC1 ZINC000344481732 445001884 /nfs/dbraw/zinc/00/18/84/445001884.db2.gz PXTFPTACADIIDN-ICSRJNTNSA-N 2 0 347.503 1.706 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1O[C@@H](C)C[C@@H]1C ZINC000337452076 445087806 /nfs/dbraw/zinc/08/78/06/445087806.db2.gz UNTWKILZMZHRNC-MWDXBVQZSA-N 2 0 325.497 1.674 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)C1 ZINC000343070168 445040480 /nfs/dbraw/zinc/04/04/80/445040480.db2.gz GDBRCQPUWOHJQL-INIZCTEOSA-N 2 0 340.512 1.212 20 0 EDADRP CC(C)[C@@H](CNC(=O)NCCC[NH+]1CCCC1)[NH+]1CCN(C)CC1 ZINC000339410880 445136564 /nfs/dbraw/zinc/13/65/64/445136564.db2.gz YNWFOINZARZFAZ-QGZVFWFLSA-N 2 0 339.528 1.044 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C[C@@H]1[NH+](C)C ZINC000344732175 445137362 /nfs/dbraw/zinc/13/73/62/445137362.db2.gz RUGCYKSHLXGRON-HRCADAONSA-N 2 0 325.522 1.897 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000339223562 445098252 /nfs/dbraw/zinc/09/82/52/445098252.db2.gz BVHCEURSFVNIQO-JKSUJKDBSA-N 2 0 325.497 1.722 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)NC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC000337651424 445187933 /nfs/dbraw/zinc/18/79/33/445187933.db2.gz KIWXGJPTGMWICF-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)n1nc(C)cc1C ZINC000337580096 445148714 /nfs/dbraw/zinc/14/87/14/445148714.db2.gz NCDWCWXVMPAYHQ-QZTJIDSGSA-N 2 0 349.523 1.935 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC[NH+]2CCC2)[NH+]2CCCC2)cc1 ZINC000337600204 445160216 /nfs/dbraw/zinc/16/02/16/445160216.db2.gz IUDJUQCUBHJYJW-GOSISDBHSA-N 2 0 346.475 1.837 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)Nc2cccc(C[NH+](C)C)c2)[N@H+](C)C1 ZINC000343579505 445249518 /nfs/dbraw/zinc/24/95/18/445249518.db2.gz JWQKFBBGOTVTBB-DLBZAZTESA-N 2 0 334.464 1.931 20 0 EDADRP CC(C)[C@@H](CO)[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000351643070 445254983 /nfs/dbraw/zinc/25/49/83/445254983.db2.gz ZUSDCKFCDIEJCU-GOSISDBHSA-N 2 0 333.476 1.327 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)C[C@@H](C)O1 ZINC000343607016 445260977 /nfs/dbraw/zinc/26/09/77/445260977.db2.gz AZAFOKICAFTYBA-KLHDSHLOSA-N 2 0 326.485 1.268 20 0 EDADRP CO[C@@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NC[C@@H](C)[N@H+](C)C2CC2)C1 ZINC000348105174 445269734 /nfs/dbraw/zinc/26/97/34/445269734.db2.gz DYAPZVYOQWLEMV-HYVNUMGLSA-N 2 0 338.496 1.364 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1)C1([NH+]2CCOCC2)CCCC1 ZINC000354676167 445335906 /nfs/dbraw/zinc/33/59/06/445335906.db2.gz NWJQKDVSDGEBMM-ZACQAIPSSA-N 2 0 337.508 1.866 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N(C)C[C@@H]1C[C@@H](OC)C[N@@H+]1C ZINC000348705299 445349481 /nfs/dbraw/zinc/34/94/81/445349481.db2.gz RKBPHVSSEXWPSR-LSDHHAIUSA-N 2 0 331.526 1.239 20 0 EDADRP CC[C@@H]1C[C@@H](C[NH+]2CCN(C(=O)C[NH+](CC)CC)CC2)CCO1 ZINC000356971675 445353925 /nfs/dbraw/zinc/35/39/25/445353925.db2.gz ALQJFXMSKPMJPL-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP c1ccc(N2CC[NH+](CCCN3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000351915507 445373088 /nfs/dbraw/zinc/37/30/88/445373088.db2.gz YVBYCYRNHVQYJW-UHFFFAOYSA-N 2 0 328.504 1.979 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000362494366 445410521 /nfs/dbraw/zinc/41/05/21/445410521.db2.gz KFNOUFDQEOEGDW-DOTOQJQBSA-N 2 0 342.553 1.701 20 0 EDADRP C[C@@H](CNC(=O)CC[N@@H+]1CCc2ccccc2C1)N1CC[NH+](C)CC1 ZINC000348870927 445424932 /nfs/dbraw/zinc/42/49/32/445424932.db2.gz GKKFGKCVVKPVRW-KRWDZBQOSA-N 2 0 344.503 1.187 20 0 EDADRP O=C(CCOC1C[NH2+]C1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349010488 445475027 /nfs/dbraw/zinc/47/50/27/445475027.db2.gz XYWUDFFBPLJPKD-UHFFFAOYSA-N 2 0 331.460 1.667 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000352051992 445460066 /nfs/dbraw/zinc/46/00/66/445460066.db2.gz GWMYZNMXIAIIKP-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000359996307 445519745 /nfs/dbraw/zinc/51/97/45/445519745.db2.gz WDGBMAXIGXLNQZ-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP CC[C@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC(=O)N1 ZINC000349151342 445524028 /nfs/dbraw/zinc/52/40/28/445524028.db2.gz OACORVFEFBOCCX-CVEARBPZSA-N 2 0 340.512 1.023 20 0 EDADRP CC[N@H+](C)CCNC(=O)NC[C@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000362758120 445535352 /nfs/dbraw/zinc/53/53/52/445535352.db2.gz IUQSBKKQUDIGTM-QGZVFWFLSA-N 2 0 333.480 1.545 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H](C)C1C[NH2+]C1)c1ccccc1 ZINC000357220868 445490438 /nfs/dbraw/zinc/49/04/38/445490438.db2.gz AFGHTFWJWUXXNE-CRAIPNDOSA-N 2 0 333.476 1.668 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000357235687 445497708 /nfs/dbraw/zinc/49/77/08/445497708.db2.gz DMJUEPWBFLNQKU-GOSISDBHSA-N 3 0 330.476 1.193 20 0 EDADRP CC[NH+](CC)Cc1ccccc1CNC(=O)CN1CC[NH+](CC)CC1 ZINC000360169808 445609086 /nfs/dbraw/zinc/60/90/86/445609086.db2.gz LDENUEJLTTWAHS-UHFFFAOYSA-N 2 0 346.519 1.782 20 0 EDADRP CN(C)C(=O)c1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358504731 445623633 /nfs/dbraw/zinc/62/36/33/445623633.db2.gz HWNDLPUBKHIVIS-UHFFFAOYSA-N 2 0 344.459 1.402 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc2c(c1)OCCO2 ZINC000358517903 445628201 /nfs/dbraw/zinc/62/82/01/445628201.db2.gz QDEMSSCZLBBAQC-UHFFFAOYSA-N 2 0 331.416 1.472 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000358520902 445630653 /nfs/dbraw/zinc/63/06/53/445630653.db2.gz IEPTZUOJFNLKFN-HNNXBMFYSA-N 2 0 328.501 1.469 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000349648364 445634010 /nfs/dbraw/zinc/63/40/10/445634010.db2.gz ZDQCSGPUIUYNSA-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000363014889 445650581 /nfs/dbraw/zinc/65/05/81/445650581.db2.gz QHBMRQQGAITHHN-BBWFWOEESA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CC([NH+](C)Cc3ccccc3)C2)CC[N@@H+]1C ZINC000353710478 445719285 /nfs/dbraw/zinc/71/92/85/445719285.db2.gz NUYOZYRIDJCPOA-RDJZCZTQSA-N 2 0 330.476 1.995 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](Cc3cccnc3)CC2)C1 ZINC000363117335 445684933 /nfs/dbraw/zinc/68/49/33/445684933.db2.gz GIRIXHPXLQUKOT-GOSISDBHSA-N 2 0 346.475 1.131 20 0 EDADRP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000356225545 445685440 /nfs/dbraw/zinc/68/54/40/445685440.db2.gz POUOUKDCZJMCNW-CQSZACIVSA-N 2 0 340.512 1.070 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@H]3CC[NH2+][C@H](C)C3)CCCC2)CC1 ZINC000358692055 445719667 /nfs/dbraw/zinc/71/96/67/445719667.db2.gz OMAXMDMAMJYNHB-CVEARBPZSA-N 2 0 337.508 1.914 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2CCN(Cc3cccc(O)c3)CC2)CC[N@@H+]1C ZINC000353688937 445707778 /nfs/dbraw/zinc/70/77/78/445707778.db2.gz BGDKBQBGVHYIHN-RDJZCZTQSA-N 2 0 331.460 1.767 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CC[NH+](CC(=O)N3CCCCC3)CC2)C[C@H](C)O1 ZINC000363073962 445668363 /nfs/dbraw/zinc/66/83/63/445668363.db2.gz GGTDQJDPSVBAFK-CALCHBBNSA-N 2 0 337.508 1.820 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@@H](C)C1 ZINC000350118022 445773111 /nfs/dbraw/zinc/77/31/11/445773111.db2.gz OSGGCZOMHPRMMB-BBWFWOEESA-N 2 0 340.512 1.659 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)C1 ZINC000349933633 445725576 /nfs/dbraw/zinc/72/55/76/445725576.db2.gz LUBIPIHZNORTBK-JYJNAYRXSA-N 2 0 326.485 1.127 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N(C)C[C@@H]2CC[NH+](C)C2)C[C@H](C)O1 ZINC000356306662 445727778 /nfs/dbraw/zinc/72/77/78/445727778.db2.gz VHFUTNALMZPAEY-OWCLPIDISA-N 2 0 326.485 1.079 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH+]3CCC(CC[NH+](C)C)CC3)C2=O)cn1 ZINC000363255368 445742761 /nfs/dbraw/zinc/74/27/61/445742761.db2.gz WQFXGJFFWOVSDS-QGZVFWFLSA-N 2 0 333.480 1.579 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2C[C@@H]3CCCC[N@@H+]3C2)CC1 ZINC000363323689 445766103 /nfs/dbraw/zinc/76/61/03/445766103.db2.gz CAQUBJDAMIESMV-ROUUACIJSA-N 2 0 336.524 1.395 20 0 EDADRP C[NH+](C)CCOc1cc(C[NH2+]C2CCN(CC(F)F)CC2)ccn1 ZINC000361455467 445768666 /nfs/dbraw/zinc/76/86/66/445768666.db2.gz CWWQYFJEIWVFBH-UHFFFAOYSA-N 2 0 342.434 1.841 20 0 EDADRP O=C(NCCC[NH2+]C1CCCCC1)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000363390965 445785292 /nfs/dbraw/zinc/78/52/92/445785292.db2.gz XXQUBXTYOTZNPN-SJORKVTESA-N 2 0 338.496 1.461 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000350204862 445792651 /nfs/dbraw/zinc/79/26/51/445792651.db2.gz GDXHKTWQTGLSGT-IXDOHACOSA-N 2 0 341.496 1.103 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[NH2+]1 ZINC000358849435 445809190 /nfs/dbraw/zinc/80/91/90/445809190.db2.gz CMWKPSOQPYZMGP-ZBFHGGJFSA-N 2 0 331.460 1.970 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@@H]1[C@H]2CCCO[C@H]21 ZINC000356515233 445834714 /nfs/dbraw/zinc/83/47/14/445834714.db2.gz QQZKDIOMLFANNG-KZNAEPCWSA-N 2 0 344.459 1.135 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)c2ccnc(C[NH3+])c2)CC1 ZINC000361609995 445846316 /nfs/dbraw/zinc/84/63/16/445846316.db2.gz KXCQHMABZXWQAS-HOTGVXAUSA-N 2 0 345.491 1.171 20 0 EDADRP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(S(N)(=O)=O)c(C)cc2C)C1 ZINC000358941126 445858173 /nfs/dbraw/zinc/85/81/73/445858173.db2.gz XVOYKZSUGYYQTA-GJZGRUSLSA-N 2 0 339.505 1.943 20 0 EDADRP C[C@H](C(=O)NC(=O)Nc1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000356567330 445862172 /nfs/dbraw/zinc/86/21/72/445862172.db2.gz GPRRXMDWPQFYQS-CQSZACIVSA-N 2 0 332.448 1.997 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000361731116 445903618 /nfs/dbraw/zinc/90/36/18/445903618.db2.gz FKYFORHZXPTAOO-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)C[C@H]1C ZINC000361743080 445909970 /nfs/dbraw/zinc/90/99/70/445909970.db2.gz BWMBIMHSHCFGRI-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCCN1C(=O)[C@H]1C[NH2+]CCO1 ZINC000365043993 445990102 /nfs/dbraw/zinc/99/01/02/445990102.db2.gz IOYHIMCLPYWQLS-KZNAEPCWSA-N 2 0 331.460 1.174 20 0 EDADRP CC(C)[C@H](CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCC(C)CC1 ZINC000582726100 325913082 /nfs/dbraw/zinc/91/30/82/325913082.db2.gz NEGCNLKZKUYZPE-JYJNAYRXSA-N 2 0 340.512 1.101 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000369210205 445996288 /nfs/dbraw/zinc/99/62/88/445996288.db2.gz UONDFEFEVFINTR-GOSISDBHSA-N 2 0 333.476 1.688 20 0 EDADRP C[NH+]1CCN(C[C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000373119480 446043336 /nfs/dbraw/zinc/04/33/36/446043336.db2.gz ZAALHAGIASLYEE-QZTJIDSGSA-N 2 0 325.497 1.489 20 0 EDADRP C[C@@H](O)C[N@H+](C)C1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000356778512 446009506 /nfs/dbraw/zinc/00/95/06/446009506.db2.gz QNGQZNPSBCGJAQ-HZPDHXFCSA-N 2 0 325.497 1.555 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@H](C)O1 ZINC000583138897 326010226 /nfs/dbraw/zinc/01/02/26/326010226.db2.gz NUHGKTSGNFHBFH-ZIFCJYIRSA-N 2 0 347.503 1.499 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000583193857 326022789 /nfs/dbraw/zinc/02/27/89/326022789.db2.gz YWHZFLJAHCYINK-UHFFFAOYSA-N 2 0 340.512 1.520 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2cccc(C[NH+](C)C)c2)C[C@H](C)O1 ZINC000583198818 326024546 /nfs/dbraw/zinc/02/45/46/326024546.db2.gz JLYBHMVHQJDNAW-JTDSTZFVSA-N 2 0 335.492 1.308 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000359223916 446053584 /nfs/dbraw/zinc/05/35/84/446053584.db2.gz KSLFKUBHLPVGDB-INIZCTEOSA-N 2 0 346.475 1.663 20 0 EDADRP COCC1(CNC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC[NH2+]CC1 ZINC000583430303 326070879 /nfs/dbraw/zinc/07/08/79/326070879.db2.gz HHTQQDBTEFWZPR-HNNXBMFYSA-N 2 0 338.496 1.319 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(c3nccn4cnnc34)C2)C1 ZINC000583451168 326076595 /nfs/dbraw/zinc/07/65/95/326076595.db2.gz MXZGHHKLZILGEL-RBSFLKMASA-N 2 0 329.452 1.200 20 0 EDADRP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000583746888 326130911 /nfs/dbraw/zinc/13/09/11/326130911.db2.gz NCVMBWOOPQHZSR-KRWDZBQOSA-N 2 0 326.444 1.875 20 0 EDADRP C[C@]([NH3+])(C(=O)N1C[C@@H]([NH3+])[C@@H](c2ccc(F)cc2)C1)c1ccccc1 ZINC000373173496 446074262 /nfs/dbraw/zinc/07/42/62/446074262.db2.gz OQLREVGBGXBSGM-ZHALLVOQSA-N 2 0 327.403 1.953 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000359269579 446107203 /nfs/dbraw/zinc/10/72/03/446107203.db2.gz YWTCOHWUNYYAKD-ARFHVFGLSA-N 2 0 340.512 1.212 20 0 EDADRP COc1cc(C[C@H](CO)C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1 ZINC000361964792 446113120 /nfs/dbraw/zinc/11/31/20/446113120.db2.gz CHYNSYNOVLLQIB-BHYGNILZSA-N 2 0 336.476 1.927 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000369665544 446144543 /nfs/dbraw/zinc/14/45/43/446144543.db2.gz SYJYVHZVSNTEHW-GDBMZVCRSA-N 2 0 346.479 1.850 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)[C@@H]3CC[C@H]([NH3+])C3)CC2)CC1 ZINC000366321997 446149137 /nfs/dbraw/zinc/14/91/37/446149137.db2.gz HYIJBZACALQYOY-SJORKVTESA-N 2 0 336.524 1.426 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)nc2)CC1 ZINC000366324670 446150286 /nfs/dbraw/zinc/15/02/86/446150286.db2.gz OBLYZYSRCVZSJJ-QGZVFWFLSA-N 2 0 335.427 1.252 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000365414156 446194699 /nfs/dbraw/zinc/19/46/99/446194699.db2.gz KTHHEUGWGYBPSZ-KRWDZBQOSA-N 2 0 347.507 1.973 20 0 EDADRP CS(=O)(=O)N1CC[C@H](CN2CCC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000370290516 446216004 /nfs/dbraw/zinc/21/60/04/446216004.db2.gz VQBFBHFYPAVOMJ-DLBZAZTESA-N 2 0 343.537 1.466 20 0 EDADRP O=C(NC1CC[NH+](Cc2cccs2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000373435323 446216509 /nfs/dbraw/zinc/21/65/09/446216509.db2.gz LXAVMBQCBAUCCA-UHFFFAOYSA-N 2 0 345.472 1.511 20 0 EDADRP CCC[N@@H+]1CCCN(C(=O)NCCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC000365483089 446227105 /nfs/dbraw/zinc/22/71/05/446227105.db2.gz JBPMSGZOGZCJOK-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP COc1ccccc1CCNC(=O)CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366498541 446238633 /nfs/dbraw/zinc/23/86/33/446238633.db2.gz UFAHUJWOVGHCOY-IBGZPJMESA-N 2 0 331.460 1.382 20 0 EDADRP C[NH+](C)CC1CCN(C(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000365726756 446317790 /nfs/dbraw/zinc/31/77/90/446317790.db2.gz STOLFGYSKWQDAL-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP COCC1(CNC(=O)NCCC2CC[NH+](C)CC2)CC[NH2+]CC1 ZINC000417502141 446355675 /nfs/dbraw/zinc/35/56/75/446355675.db2.gz KCKRLDDJYDJLPG-UHFFFAOYSA-N 2 0 326.485 1.034 20 0 EDADRP CCC[NH2+]CCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000417547894 446364355 /nfs/dbraw/zinc/36/43/55/446364355.db2.gz HDVGVGWXSNUTQB-UHFFFAOYSA-N 2 0 348.491 1.442 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@H]2CC[NH2+]C2)[C@@H](C)C1 ZINC000417666960 446369358 /nfs/dbraw/zinc/36/93/58/446369358.db2.gz FGUXHURVKJXVSV-BBWFWOEESA-N 2 0 340.512 1.422 20 0 EDADRP CN(CCC[NH+]1CCCC1)C(=O)C1CCN(Cc2nccn2C)CC1 ZINC000366850760 446382660 /nfs/dbraw/zinc/38/26/60/446382660.db2.gz MHLBHZPIEHRPLY-UHFFFAOYSA-N 2 0 347.507 1.576 20 0 EDADRP COCCCN(C)CC[NH2+][C@@H](C)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000370679028 446383218 /nfs/dbraw/zinc/38/32/18/446383218.db2.gz JFPJFJJUSONQBY-ICSRJNTNSA-N 2 0 349.519 1.834 20 0 EDADRP C[NH2+]C[C@@H]1CCCN(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000420279886 446448286 /nfs/dbraw/zinc/44/82/86/446448286.db2.gz XQHRJRFDGLYOAW-FUHWJXTLSA-N 2 0 332.492 1.337 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cc2c(cn1)OCCC2 ZINC000376267453 446406696 /nfs/dbraw/zinc/40/66/96/446406696.db2.gz AXOOZDPRYFGKGK-UHFFFAOYSA-N 2 0 348.491 1.752 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000417994637 446409840 /nfs/dbraw/zinc/40/98/40/446409840.db2.gz OYLSWFGILRYUKM-ZWKOTPCHSA-N 2 0 346.475 1.147 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418015183 446416243 /nfs/dbraw/zinc/41/62/43/446416243.db2.gz PPVSHBQCZIFOTJ-UBDQQSCGSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2C[C@H]3CC[NH2+]C[C@H]3C2)CC[N@@H+]1Cc1ccccc1 ZINC000418192230 446455308 /nfs/dbraw/zinc/45/53/08/446455308.db2.gz MDJKYQSSUJZHTJ-OQIJWPOYSA-N 2 0 342.487 1.900 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000418199088 446455618 /nfs/dbraw/zinc/45/56/18/446455618.db2.gz MUFBNYWLAZRKQK-HZPDHXFCSA-N 2 0 340.512 1.504 20 0 EDADRP COC(=O)c1ccc(CNC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)cc1 ZINC000420295518 446457652 /nfs/dbraw/zinc/45/76/52/446457652.db2.gz PKSANHWWIHBONK-KGLIPLIRSA-N 2 0 347.459 1.537 20 0 EDADRP CCCNC(=O)[C@@H]1CCC[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420295211 446458273 /nfs/dbraw/zinc/45/82/73/446458273.db2.gz BWSFDHBEBKZJSF-SJORKVTESA-N 2 0 333.476 1.976 20 0 EDADRP COc1cc(C(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)ccc1C ZINC000420303569 446465896 /nfs/dbraw/zinc/46/58/96/446465896.db2.gz KRMYSJPRMUHBJF-INIZCTEOSA-N 2 0 331.460 1.761 20 0 EDADRP CCn1ccnc1C[N@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420303316 446466198 /nfs/dbraw/zinc/46/61/98/446466198.db2.gz CUEOIMKEEITJLG-DLBZAZTESA-N 3 0 331.508 1.847 20 0 EDADRP CC[C@]1(C(=O)N2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC[NH2+]C1 ZINC000370844624 446476647 /nfs/dbraw/zinc/47/66/47/446476647.db2.gz WDCUSIOZJWWNMB-SCTDSRPQSA-N 2 0 336.524 1.393 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423300677 446477601 /nfs/dbraw/zinc/47/76/01/446477601.db2.gz DVFNNANVDUDGSW-HUUCEWRRSA-N 2 0 333.480 1.871 20 0 EDADRP COc1ccc(OC)c(CN2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000420314100 446478193 /nfs/dbraw/zinc/47/81/93/446478193.db2.gz YSQAZGHIJKKCBK-INIZCTEOSA-N 2 0 333.476 1.821 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000420316853 446481937 /nfs/dbraw/zinc/48/19/37/446481937.db2.gz YQJWHRUKXCEHJL-SFHVURJKSA-N 3 0 344.503 1.481 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420323793 446489237 /nfs/dbraw/zinc/48/92/37/446489237.db2.gz AASWOLOVGNPJBU-MELADBBJSA-N 2 0 331.416 1.674 20 0 EDADRP C[C@@H](C(=O)NCCc1ccccc1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420324188 446490702 /nfs/dbraw/zinc/49/07/02/446490702.db2.gz GXLBFXXVWMJRLH-WMZOPIPTSA-N 2 0 345.487 1.421 20 0 EDADRP CC1CCC(NC(=O)CN2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420325485 446491140 /nfs/dbraw/zinc/49/11/40/446491140.db2.gz WQAIRNHLJSHVGG-LXPRWKDFSA-N 2 0 336.524 1.299 20 0 EDADRP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)N1CCc2sccc2C1 ZINC000420334733 446504864 /nfs/dbraw/zinc/50/48/64/446504864.db2.gz LCIBGNFUDQLLEG-GASCZTMLSA-N 2 0 333.501 1.954 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](C[NH3+])C2CCCCC2)CC[N@@H+]1C[C@H](C)O ZINC000418356020 446511944 /nfs/dbraw/zinc/51/19/44/446511944.db2.gz GGAOAKANBGROSK-UAGQMJEPSA-N 2 0 340.512 1.381 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)C2=O)cn1 ZINC000420343097 446515684 /nfs/dbraw/zinc/51/56/84/446515684.db2.gz YSKNVMYNXZTPHI-DLBZAZTESA-N 2 0 331.464 1.380 20 0 EDADRP C[NH2+]CCC[N@H+](C)CCC(=O)Nc1ccc(N2CCCC2=O)cc1 ZINC000420385032 446560482 /nfs/dbraw/zinc/56/04/82/446560482.db2.gz GHISOBMQFLIXGQ-UHFFFAOYSA-N 2 0 332.448 1.683 20 0 EDADRP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000423396443 446517087 /nfs/dbraw/zinc/51/70/87/446517087.db2.gz RPBDHSKCJSWBHC-NHYWBVRUSA-N 3 0 345.413 1.335 20 0 EDADRP COCC1(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC[NH2+]CC1 ZINC000423404074 446519963 /nfs/dbraw/zinc/51/99/63/446519963.db2.gz IIAQGRNSWYVCJN-HKUYNNGSSA-N 2 0 346.519 1.898 20 0 EDADRP COc1ccccc1CN(C)C(=O)C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420346890 446520534 /nfs/dbraw/zinc/52/05/34/446520534.db2.gz ZJVUGFAQCKLUNN-DLBZAZTESA-N 2 0 345.487 1.975 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(COC)CC[NH2+]CC2)[C@H](C)C1 ZINC000423407015 446521996 /nfs/dbraw/zinc/52/19/96/446521996.db2.gz LNGBNBITXKAQSD-MSOLQXFVSA-N 3 0 341.540 1.729 20 0 EDADRP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420347789 446523121 /nfs/dbraw/zinc/52/31/21/446523121.db2.gz ILWDTQNOHAYPFZ-RTBURBONSA-N 2 0 344.503 1.576 20 0 EDADRP C[NH+]1CCC(NC(=O)Nc2ccc(NC(=O)C3(C)C[NH2+]C3)cc2)CC1 ZINC000423427482 446532682 /nfs/dbraw/zinc/53/26/82/446532682.db2.gz QPBVEGZGFSGJSO-UHFFFAOYSA-N 2 0 345.447 1.450 20 0 EDADRP [NH3+]C[C@H]1CCC[C@@H]1NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418418619 446537543 /nfs/dbraw/zinc/53/75/43/446537543.db2.gz WNCLLSUBLBFZER-ATLSCFEFSA-N 2 0 348.466 1.945 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000418419147 446538588 /nfs/dbraw/zinc/53/85/88/446538588.db2.gz ZAGCSHSCCXKZPP-IRXDYDNUSA-N 3 0 341.544 1.417 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCN(c3ccc(F)cc3)CC2)CC1 ZINC000433177482 446543235 /nfs/dbraw/zinc/54/32/35/446543235.db2.gz QSQVQBBGRSNESV-UHFFFAOYSA-N 2 0 348.466 1.678 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420371847 446551465 /nfs/dbraw/zinc/55/14/65/446551465.db2.gz DPDQZOPCJQKDPH-FYQPLNBISA-N 3 0 347.503 1.136 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418602227 446611249 /nfs/dbraw/zinc/61/12/49/446611249.db2.gz MKVNXAFGCKTOQJ-KBPBESRZSA-N 2 0 333.436 1.062 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])[C@@H]3C)cc2)CC1 ZINC000423637245 446620165 /nfs/dbraw/zinc/62/01/65/446620165.db2.gz BZIXWRRXXMQVDI-MAUKXSAKSA-N 2 0 330.476 1.779 20 0 EDADRP C[NH2+][C@@H](C)CNC(=O)N(C)C[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000418611414 446614173 /nfs/dbraw/zinc/61/41/73/446614173.db2.gz AXQFOJYLFFIPKX-IHRRRGAJSA-N 2 0 342.484 1.910 20 0 EDADRP [NH3+]C1(CNC(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)CCC1 ZINC000418507246 446571210 /nfs/dbraw/zinc/57/12/10/446571210.db2.gz IMUCIWJHNOIOBS-IRXDYDNUSA-N 2 0 346.475 1.050 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1Cl)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000420404010 446576446 /nfs/dbraw/zinc/57/64/46/446576446.db2.gz MCJOXXGQVCAFTN-GFCCVEGCSA-N 2 0 325.840 1.130 20 0 EDADRP O=C(NC[C@@H]1CC[NH2+]C1)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418535674 446583384 /nfs/dbraw/zinc/58/33/84/446583384.db2.gz HPXSBGAPZYTMFS-PVXIVEMSSA-N 2 0 338.402 1.319 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]1)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418547048 446589744 /nfs/dbraw/zinc/58/97/44/446589744.db2.gz IREJEYCTICFQIT-CEXWTWQISA-N 2 0 342.487 1.902 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)CC1 ZINC000376675930 446644336 /nfs/dbraw/zinc/64/43/36/446644336.db2.gz XOZLKSNKFKQTPA-DOTOQJQBSA-N 2 0 338.496 1.365 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000418694887 446651656 /nfs/dbraw/zinc/65/16/56/446651656.db2.gz WPPCNDCXWFVAAI-PMPSAXMXSA-N 2 0 340.512 1.645 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418737787 446662795 /nfs/dbraw/zinc/66/27/95/446662795.db2.gz WCIAULPDGMBTCZ-RDJZCZTQSA-N 2 0 333.480 1.815 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000423739752 446671609 /nfs/dbraw/zinc/67/16/09/446671609.db2.gz HXIQTAFHTIVINX-ZWKOTPCHSA-N 2 0 336.524 1.395 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000423740632 446671635 /nfs/dbraw/zinc/67/16/35/446671635.db2.gz JBWQXWYHYXEVBN-RBUKOAKNSA-N 2 0 344.503 1.623 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+]([C@@H](C)CO)C2CCCC2)CC1 ZINC000411610045 446625806 /nfs/dbraw/zinc/62/58/06/446625806.db2.gz XPNQUOZIGDXBHO-HNNXBMFYSA-N 2 0 325.497 1.601 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418644947 446630041 /nfs/dbraw/zinc/63/00/41/446630041.db2.gz VOBNHTZCRGXJLG-KYJSFNMBSA-N 2 0 328.460 1.752 20 0 EDADRP O=C(Nc1ccccc1C(=O)OC1CC[NH2+]CC1)[C@@H]1CC12C[NH2+]C2 ZINC000376655591 446631175 /nfs/dbraw/zinc/63/11/75/446631175.db2.gz GWMICGGQSVVWDK-AWEZNQCLSA-N 2 0 329.400 1.143 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000423770653 446696411 /nfs/dbraw/zinc/69/64/11/446696411.db2.gz DNKULUPOSFKBBY-KBAYOESNSA-N 2 0 331.460 1.392 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)C3([NH3+])CCC3)CC[N@@H+]2C2CC2)c1 ZINC000423828603 446717314 /nfs/dbraw/zinc/71/73/14/446717314.db2.gz OHKHVXSHEDXRCK-DLBZAZTESA-N 2 0 329.444 1.971 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1CN1CCN(C(=O)[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000423749972 446680315 /nfs/dbraw/zinc/68/03/15/446680315.db2.gz WXALBOUHDILAGN-IAGOWNOFSA-N 2 0 334.508 1.005 20 0 EDADRP O=C([C@@H]1CC12CC[NH2+]CC2)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000375265059 446680965 /nfs/dbraw/zinc/68/09/65/446680965.db2.gz HXQAGUXEVYKTJX-MSOLQXFVSA-N 2 0 342.487 1.942 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1(C)C ZINC000423903625 446753877 /nfs/dbraw/zinc/75/38/77/446753877.db2.gz NFKTVBRMDYCTPD-REGYPHIPSA-N 2 0 349.519 1.994 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000418864463 446759199 /nfs/dbraw/zinc/75/91/99/446759199.db2.gz QTRKUTYKKARCHP-IAGOWNOFSA-N 2 0 348.491 1.285 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3c[nH]nc3[C@H]3CCC[NH2+]C3)CC[C@@H]21 ZINC000423914458 446763862 /nfs/dbraw/zinc/76/38/62/446763862.db2.gz XXEWJPJOOIYHES-LZWOXQAQSA-N 2 0 331.464 1.433 20 0 EDADRP OC[C@H]1CCCC[NH+](CC2(C[N@H+]3CCCC[C@H](CO)C3)COC2)C1 ZINC000376876126 446770488 /nfs/dbraw/zinc/77/04/88/446770488.db2.gz LXMSEJDHKPAUES-ROUUACIJSA-N 2 0 340.508 1.192 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)C(=O)C1([NH3+])CCCCC1 ZINC000423929794 446780380 /nfs/dbraw/zinc/78/03/80/446780380.db2.gz JAXMCDKPVNQUFC-DOTOQJQBSA-N 2 0 347.507 1.923 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])CCC[N@@H+]1C ZINC000423932229 446784000 /nfs/dbraw/zinc/78/40/00/446784000.db2.gz NSGXMCPGBVAPQN-YYAJDYIMSA-N 2 0 347.507 1.827 20 0 EDADRP CC(C)COC[C@@H](O)C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000371340597 446788461 /nfs/dbraw/zinc/78/84/61/446788461.db2.gz GNASWIZJMXJUBW-IBGZPJMESA-N 2 0 341.540 1.510 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H](C[NH3+])C3CCCC3)c2)CC1 ZINC000423937478 446789222 /nfs/dbraw/zinc/78/92/22/446789222.db2.gz FTZPGNQPYSODSB-LJQANCHMSA-N 2 0 344.503 1.681 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418910289 446791344 /nfs/dbraw/zinc/79/13/44/446791344.db2.gz BHCVMMVESLEWKU-IIDMSEBBSA-N 2 0 340.512 1.103 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCOCC(F)(F)F)CC2)CC1 ZINC000368333616 446791521 /nfs/dbraw/zinc/79/15/21/446791521.db2.gz RVKZJZRQOUWVGV-UHFFFAOYSA-N 2 0 337.430 1.915 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1)C1CC(C)(C)C1 ZINC000412030116 446793502 /nfs/dbraw/zinc/79/35/02/446793502.db2.gz DOEXHAMOXKIVSK-KRWDZBQOSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]([NH3+])c1ccc(CNC(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)cc1 ZINC000424078864 446843815 /nfs/dbraw/zinc/84/38/15/446843815.db2.gz QLGKUVMUBWECSS-WFASDCNBSA-N 2 0 328.420 1.152 20 0 EDADRP C[C@@H]1CN(C(=O)NCC[NH+]2CCc3ccccc3C2)C[C@H](C)[N@H+]1C ZINC000454206833 446806536 /nfs/dbraw/zinc/80/65/36/446806536.db2.gz FNPVVTOYBGFEPT-IYBDPMFKSA-N 2 0 330.476 1.779 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377032481 446872630 /nfs/dbraw/zinc/87/26/30/446872630.db2.gz RBKXUFWLKSNGPT-QRVBRYPASA-N 2 0 335.540 1.172 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(CN3CCOCC3)cc2)C[C@]2(CCOC2)O1 ZINC000420960500 446929097 /nfs/dbraw/zinc/92/90/97/446929097.db2.gz HXHWQSNRVHIYDZ-XLIONFOSSA-N 2 0 346.471 1.899 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1)CC(C)C ZINC000419123141 446936965 /nfs/dbraw/zinc/93/69/65/446936965.db2.gz GIZQWXYRAVTFHP-HRCADAONSA-N 2 0 340.512 1.055 20 0 EDADRP CN1CCC([N@@H+]2CC[C@H](NC(=O)CC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)CC1 ZINC000377200534 446988999 /nfs/dbraw/zinc/98/89/99/446988999.db2.gz YSWBTXHEQVFQBM-HMQMGEFJSA-N 2 0 334.508 1.192 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000419176442 446992647 /nfs/dbraw/zinc/99/26/47/446992647.db2.gz ZEFDUYFWJJMINS-BZUAXINKSA-N 2 0 338.496 1.014 20 0 EDADRP CCOc1ccccc1CN1CCN(C[C@@H]2CN(CC)CCO2)CC1 ZINC000375812860 447071301 /nfs/dbraw/zinc/07/13/01/447071301.db2.gz IZNBQWVWUMHRBB-IBGZPJMESA-N 2 0 347.503 1.924 20 0 EDADRP O=C(c1ccn([C@H]2CCC[NH2+]C2)n1)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000368712553 447059965 /nfs/dbraw/zinc/05/99/65/447059965.db2.gz ORHCUPNENIPMLX-JKSUJKDBSA-N 2 0 331.464 1.412 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368712119 447060156 /nfs/dbraw/zinc/06/01/56/447060156.db2.gz KIJUZYOEGZHCHZ-AWEZNQCLSA-N 2 0 326.404 1.101 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@@]1([NH3+])C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000372462409 447064799 /nfs/dbraw/zinc/06/47/99/447064799.db2.gz HNGIHMWDRGBXKT-GPMSIDNRSA-N 2 0 335.492 1.510 20 0 EDADRP CCNC(=O)CC[N@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000372529066 447113774 /nfs/dbraw/zinc/11/37/74/447113774.db2.gz CUFKSKSJCZHKLA-MAUKXSAKSA-N 2 0 335.496 1.651 20 0 EDADRP NS(=O)(=O)CCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377336329 447073781 /nfs/dbraw/zinc/07/37/81/447073781.db2.gz KEAGSRIGFXIXBR-IRXDYDNUSA-N 2 0 337.489 1.119 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1)[C@H]1CC[NH2+]1 ZINC000444183076 447090890 /nfs/dbraw/zinc/09/08/90/447090890.db2.gz MFFKKYONPQCYHA-ZIAGYGMSSA-N 2 0 327.350 1.758 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000375908132 447138739 /nfs/dbraw/zinc/13/87/39/447138739.db2.gz VFXLCWPSOOAPIU-WOJBJXKFSA-N 2 0 331.504 1.994 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000413321557 447140742 /nfs/dbraw/zinc/14/07/42/447140742.db2.gz GGYHORACEGLYKQ-KRWDZBQOSA-N 2 0 330.476 1.479 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C(=O)NC)C2)CC1 ZINC000421379126 447144485 /nfs/dbraw/zinc/14/44/85/447144485.db2.gz ITHOHCQNZOQDKF-GOSISDBHSA-N 2 0 344.503 1.787 20 0 EDADRP CC1(C)[C@@H]2OCCC[C@H]2[C@]1([NH3+])C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000372568290 447147075 /nfs/dbraw/zinc/14/70/75/447147075.db2.gz GPJRUDVVYMJPJJ-MDZRGWNJSA-N 2 0 329.444 1.803 20 0 EDADRP CNC(=O)c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375902918 447134000 /nfs/dbraw/zinc/13/40/00/447134000.db2.gz GXHPYCWSVYMRHT-IBGZPJMESA-N 2 0 344.503 1.647 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)N1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419437505 447175549 /nfs/dbraw/zinc/17/55/49/447175549.db2.gz GEOHVACYBWVGRC-IAGOWNOFSA-N 2 0 342.528 1.595 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000376026455 447217726 /nfs/dbraw/zinc/21/77/26/447217726.db2.gz AKWQWGOFGUDEDD-INIZCTEOSA-N 2 0 348.495 1.954 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCC(n2ccnc2)CC1)N1CCOCC1 ZINC000368980766 447244711 /nfs/dbraw/zinc/24/47/11/447244711.db2.gz LDBYMWQDBVZEFN-QGZVFWFLSA-N 2 0 349.479 1.586 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@](CO)(C(C)C)C2)CC1 ZINC000377647015 447269188 /nfs/dbraw/zinc/26/91/88/447269188.db2.gz FAIFIVZMZQOLTQ-SFHVURJKSA-N 2 0 325.497 1.316 20 0 EDADRP COC[C@]1(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000379981851 447455652 /nfs/dbraw/zinc/45/56/52/447455652.db2.gz PRVVKRUTGJNSPA-MJGOQNOKSA-N 2 0 331.460 1.345 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000458707004 447457788 /nfs/dbraw/zinc/45/77/88/447457788.db2.gz OFQVCOQKYOAOHG-IAGOWNOFSA-N 2 0 338.496 1.149 20 0 EDADRP C[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C2(CCCCC2)C1 ZINC000494884291 447461439 /nfs/dbraw/zinc/46/14/39/447461439.db2.gz XIDUEVYDCGYACB-UHFFFAOYSA-N 2 0 348.535 1.680 20 0 EDADRP CCC[C@@H](O)C[NH+]1CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC1 ZINC000450421572 447485668 /nfs/dbraw/zinc/48/56/68/447485668.db2.gz LMPNAJSRRRPUKM-MRXNPFEDSA-N 2 0 327.513 1.563 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)C(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000419926568 447494595 /nfs/dbraw/zinc/49/45/95/447494595.db2.gz JKEFFVAMTUIQKN-KRWDZBQOSA-N 2 0 346.475 1.135 20 0 EDADRP C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000495381610 447499361 /nfs/dbraw/zinc/49/93/61/447499361.db2.gz BNKIXEGKISYXRV-IIDMSEBBSA-N 2 0 341.496 1.821 20 0 EDADRP C[C@@H]1C[NH+](CCC2CC[NH+](C[C@@H]3COCCO3)CC2)C[C@@H](C)O1 ZINC000450477406 447502312 /nfs/dbraw/zinc/50/23/12/447502312.db2.gz WOCCSPIYGKCURJ-JFIYKMOQSA-N 2 0 326.481 1.613 20 0 EDADRP [NH3+][C@H](CC(F)F)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000391038726 447509901 /nfs/dbraw/zinc/50/99/01/447509901.db2.gz ZTLGSFUESDTYHW-LSDHHAIUSA-N 2 0 341.402 1.376 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000426927139 447517451 /nfs/dbraw/zinc/51/74/51/447517451.db2.gz SKZJLPPSZPRDTG-NXHRZFHOSA-N 2 0 334.508 1.098 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000427305192 447578730 /nfs/dbraw/zinc/57/87/30/447578730.db2.gz RBZHNJPARCEPKS-GOEBONIOSA-N 2 0 344.459 1.322 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]CC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000427314816 447579774 /nfs/dbraw/zinc/57/97/74/447579774.db2.gz MXCRPDHKLUJGST-MRXNPFEDSA-N 2 0 330.476 1.942 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000427322982 447581025 /nfs/dbraw/zinc/58/10/25/447581025.db2.gz VQUCFWMYFPTDHW-FUHWJXTLSA-N 2 0 333.476 1.812 20 0 EDADRP O=C(C[C@H]1CCC[NH2+]CC1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000427361732 447586941 /nfs/dbraw/zinc/58/69/41/447586941.db2.gz GTKGCUIFEGGUEV-KRWDZBQOSA-N 2 0 337.508 1.918 20 0 EDADRP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)n1 ZINC000395760572 447541228 /nfs/dbraw/zinc/54/12/28/447541228.db2.gz KWGWOZMLGCDPOP-IRXDYDNUSA-N 2 0 333.480 1.080 20 0 EDADRP CCn1ccnc1[C@H](C)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000459043469 447549969 /nfs/dbraw/zinc/54/99/69/447549969.db2.gz CYAPNRQYLABIFU-LSDHHAIUSA-N 2 0 337.468 1.356 20 0 EDADRP CC[N@H+](CCNC(=O)[C@H](C)N1CCSCC1)CCC(F)(F)F ZINC000427254799 447568460 /nfs/dbraw/zinc/56/84/60/447568460.db2.gz AUYASFFIHCPDJG-LBPRGKRZSA-N 2 0 341.443 1.814 20 0 EDADRP CN1CC[NH+](CC2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CC3)CC2)CC1 ZINC000427466983 447601959 /nfs/dbraw/zinc/60/19/59/447601959.db2.gz YFSGAFIHACJUNZ-SFHVURJKSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1CC(C)(C)O ZINC000459165224 447603545 /nfs/dbraw/zinc/60/35/45/447603545.db2.gz RWQMKZZDOVHRMK-HNNXBMFYSA-N 2 0 340.512 1.347 20 0 EDADRP O=C(NCCCN1CC[NH2+]CC1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000416831200 447693139 /nfs/dbraw/zinc/69/31/39/447693139.db2.gz SIKJMXQGKLCMOO-MRXNPFEDSA-N 2 0 349.479 1.011 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000416871151 447700504 /nfs/dbraw/zinc/70/05/04/447700504.db2.gz PCNTXINMSJZWOJ-QGZVFWFLSA-N 2 0 340.512 1.374 20 0 EDADRP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1ccc(S(N)(=O)=O)cc1 ZINC000422802103 447754210 /nfs/dbraw/zinc/75/42/10/447754210.db2.gz AWDFGQNUKUTBIR-RDTXWAMCSA-N 2 0 347.484 1.425 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3c2cnn3C)CC[NH2+]CC1 ZINC000422830920 447762704 /nfs/dbraw/zinc/76/27/04/447762704.db2.gz IYXAERZLZRPJHQ-DZGCQCFKSA-N 2 0 334.464 1.709 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO ZINC000458333251 447771664 /nfs/dbraw/zinc/77/16/64/447771664.db2.gz AVXVKGOYTNQAOD-BRWVUGGUSA-N 2 0 340.512 1.395 20 0 EDADRP C[C@H]([NH2+]C[C@@H](O)COc1ccccc1Br)C1C[NH2+]C1 ZINC000422943177 447777637 /nfs/dbraw/zinc/77/76/37/447777637.db2.gz QMKYRNUQWJKIRM-CMPLNLGQSA-N 2 0 329.238 1.386 20 0 EDADRP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(CCNC(=O)OC(C)(C)C)CC1 ZINC000496423102 447777826 /nfs/dbraw/zinc/77/78/26/447777826.db2.gz DUTVVKZRXFZJTJ-INIZCTEOSA-N 2 0 343.512 1.926 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422943695 447777881 /nfs/dbraw/zinc/77/78/81/447777881.db2.gz RCODCIGPAAQFOF-GDBMZVCRSA-N 2 0 325.478 1.544 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1 ZINC000422943698 447777969 /nfs/dbraw/zinc/77/79/69/447777969.db2.gz RCODCIGPAAQFOF-ZBFHGGJFSA-N 2 0 325.478 1.544 20 0 EDADRP CC(C)[C@@H]([NH3+])CC[N@H+](C)CCC(=O)NC(=O)NCC(F)(F)F ZINC000430579234 447781807 /nfs/dbraw/zinc/78/18/07/447781807.db2.gz BVWHNDFYNPERGC-JTQLQIEISA-N 2 0 326.363 1.070 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]CCOc1ncccc1C(F)(F)F ZINC000422999561 447789595 /nfs/dbraw/zinc/78/95/95/447789595.db2.gz SQXHDWKHADTOOJ-GMXVVIOVSA-N 2 0 333.354 1.821 20 0 EDADRP O=C(CC[NH+]1CCC2(CC[NH2+]C2)CC1)NC(=O)NCc1ccccc1 ZINC000431026440 447789877 /nfs/dbraw/zinc/78/98/77/447789877.db2.gz BKSTZGMSKXZMHD-UHFFFAOYSA-N 2 0 344.459 1.478 20 0 EDADRP COc1cccc(COCC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000423000638 447790225 /nfs/dbraw/zinc/79/02/25/447790225.db2.gz GZYBZDLXNQDJRC-GBESFXJTSA-N 2 0 334.460 1.959 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000423033489 447795259 /nfs/dbraw/zinc/79/52/59/447795259.db2.gz OMHFKYZYMDSDIK-KNTRFNDTSA-N 3 0 347.503 1.485 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH2+]C(C)(C)CN1CC[NH+](CC)CC1 ZINC000451996019 447798392 /nfs/dbraw/zinc/79/83/92/447798392.db2.gz XSBPQAZHIMXJDW-QGZVFWFLSA-N 2 0 338.540 1.783 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423078111 447799729 /nfs/dbraw/zinc/79/97/29/447799729.db2.gz NVCJXPGXOKCNGN-UKRRQHHQSA-N 2 0 331.526 1.686 20 0 EDADRP CC[C@@H]([NH2+]C1CCN(S(=O)(=O)C(C)C)CC1)[C@H]1CCCC[NH2+]1 ZINC000423077281 447800102 /nfs/dbraw/zinc/80/01/02/447800102.db2.gz SUIFVXPVDZVMED-HZPDHXFCSA-N 2 0 331.526 1.699 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423097201 447804069 /nfs/dbraw/zinc/80/40/69/447804069.db2.gz JDJZGBCTVJGHBF-NWDGAFQWSA-N 2 0 333.885 1.724 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)CCCC[NH3+])C2=O)c(OC)c1 ZINC000423099831 447804442 /nfs/dbraw/zinc/80/44/42/447804442.db2.gz BBQOELAQWWGGOM-PBHICJAKSA-N 2 0 349.475 1.912 20 0 EDADRP CN(CCOc1ccccc1)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000496617596 447833659 /nfs/dbraw/zinc/83/36/59/447833659.db2.gz MSODMUYIXAFYGI-IBGZPJMESA-N 2 0 345.443 1.871 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@H]2O)CC1)C1CC1 ZINC000487684751 447835962 /nfs/dbraw/zinc/83/59/62/447835962.db2.gz CZAWODHPPWPHMF-DLBZAZTESA-N 2 0 338.496 1.148 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC(N(C)C(=O)OC(C)(C)C)CC1 ZINC000496644064 447839959 /nfs/dbraw/zinc/83/99/59/447839959.db2.gz LAETZSNNBRJZBH-OAHLLOKOSA-N 2 0 329.485 1.630 20 0 EDADRP C[N@@H+]1CCC[C@@]2(CC[NH+](C[C@](C)(O)CNC(=O)OC(C)(C)C)C2)C1 ZINC000496728586 447860963 /nfs/dbraw/zinc/86/09/63/447860963.db2.gz VRSCHMWEVFNHFA-QZTJIDSGSA-N 2 0 341.496 1.680 20 0 EDADRP CS[C@@H]1CN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1[NH+]1CCCC1 ZINC000487089011 447827183 /nfs/dbraw/zinc/82/71/83/447827183.db2.gz VKTMDMUWCFPKBP-XUWVNRHRSA-N 2 0 325.522 1.897 20 0 EDADRP CC[NH+]1CCC(NC(=O)CN2CCC[N@@H+](C3CCCC3)CC2)CC1 ZINC000523448030 447888090 /nfs/dbraw/zinc/88/80/90/447888090.db2.gz HLZFZYDBDBUPKU-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@@H](C(=O)N1CCN(c2ccc(C[NH+](C)C)cn2)CC1)[NH+]1CC(C)C1 ZINC000575758940 447892782 /nfs/dbraw/zinc/89/27/82/447892782.db2.gz KLRFACRCNITARS-INIZCTEOSA-N 2 0 345.491 1.132 20 0 EDADRP O=C(NCC[C@H]1CC[NH2+]C1)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000569912167 447915089 /nfs/dbraw/zinc/91/50/89/447915089.db2.gz YMKMDKJQWAOYMQ-OAHLLOKOSA-N 2 0 331.464 1.597 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)COc2ccc3c(c2)OCO3)C1 ZINC000570201808 447963105 /nfs/dbraw/zinc/96/31/05/447963105.db2.gz ITKXQNVNPBYQPJ-RRFJBIMHSA-N 2 0 336.432 1.617 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)N2CCN(C)C[C@@H]2C[NH3+])C1 ZINC000569947977 447926569 /nfs/dbraw/zinc/92/65/69/447926569.db2.gz QKDZJFUBSIRCJC-OAGGEKHMSA-N 2 0 339.528 1.027 20 0 EDADRP Cc1ccnn1-c1ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000530880745 447976127 /nfs/dbraw/zinc/97/61/27/447976127.db2.gz RYSDZUKRZIMOFG-UHFFFAOYSA-N 2 0 343.475 1.746 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000525369747 447997389 /nfs/dbraw/zinc/99/73/89/447997389.db2.gz FZIFGELUAAZGSV-RDJZCZTQSA-N 2 0 325.497 1.626 20 0 EDADRP O=C1O[C@@]2(CN1C[N@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O)C[NH+]1CCC2CC1 ZINC000496885718 448001840 /nfs/dbraw/zinc/00/18/40/448001840.db2.gz RRSMAAZDOVKKPD-MJQMVNBJSA-N 2 0 349.475 1.486 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1(CCO)CC[NH+](C)CC1 ZINC000570411453 448008767 /nfs/dbraw/zinc/00/87/67/448008767.db2.gz ORAHNSBKLPRHHW-IEBWSBKVSA-N 2 0 331.504 1.943 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000576091992 447968763 /nfs/dbraw/zinc/96/87/63/447968763.db2.gz OGRADVYLXPXPJN-CVEARBPZSA-N 2 0 340.512 1.565 20 0 EDADRP C[C@@H](N[C@H]1CCC[NH2+]C1)[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496854601 447972309 /nfs/dbraw/zinc/97/23/09/447972309.db2.gz GTUBTHDPUBLWLP-NJAFHUGGSA-N 2 0 347.459 1.754 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000525173064 447972561 /nfs/dbraw/zinc/97/25/61/447972561.db2.gz YUWFSYJBFPRFLP-ZWKOTPCHSA-N 2 0 325.497 1.282 20 0 EDADRP C[C@@H]1CN(C[C@H](O)C[NH2+]Cc2ccc(OCC3CC3)nc2)C[C@H](C)O1 ZINC000576339220 448030640 /nfs/dbraw/zinc/03/06/40/448030640.db2.gz DUTMZXGVMSQXDY-RVKKMQEKSA-N 2 0 349.475 1.430 20 0 EDADRP CC(C)(C)OC(=O)NCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000497278567 448032532 /nfs/dbraw/zinc/03/25/32/448032532.db2.gz MCNHOPZBYMGLBY-GFCCVEGCSA-N 2 0 325.457 1.109 20 0 EDADRP C[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1)C(C)(C)C ZINC000576462182 448060484 /nfs/dbraw/zinc/06/04/84/448060484.db2.gz PDQAUFLBQMUDNO-UHFFFAOYSA-N 2 0 340.512 1.118 20 0 EDADRP Cc1cc(C)c(S(N)(=O)=O)cc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000526041167 448085754 /nfs/dbraw/zinc/08/57/54/448085754.db2.gz WJPGDEUNZUZNED-GJZGRUSLSA-N 2 0 339.505 1.943 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[NH+]2CCC1CC2 ZINC000526067461 448093077 /nfs/dbraw/zinc/09/30/77/448093077.db2.gz MSUCOAOAFRGPDW-KRWDZBQOSA-N 2 0 328.460 1.600 20 0 EDADRP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C)[NH+](C)C ZINC000502481129 448101765 /nfs/dbraw/zinc/10/17/65/448101765.db2.gz KAAGGGRQDLOTKT-BHYGNILZSA-N 2 0 335.496 1.650 20 0 EDADRP C[NH+](C)C[C@](C)(O)C[NH2+]C1CCC(CNC(=O)OC(C)(C)C)CC1 ZINC000497009099 448119095 /nfs/dbraw/zinc/11/90/95/448119095.db2.gz RADWXWWHVWBUCX-JTTJXQCZSA-N 2 0 343.512 1.972 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695792 448128646 /nfs/dbraw/zinc/12/86/46/448128646.db2.gz XBAKOCBALDZYCM-UNEWFSDZSA-N 2 0 347.459 1.241 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000571303873 448134598 /nfs/dbraw/zinc/13/45/98/448134598.db2.gz BZBSJBNOLRANRQ-NXHRZFHOSA-N 2 0 330.476 1.948 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000527058621 448150010 /nfs/dbraw/zinc/15/00/10/448150010.db2.gz MVMRIKGRNVBPCA-LJQANCHMSA-N 2 0 333.476 1.424 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000571618261 448179394 /nfs/dbraw/zinc/17/93/94/448179394.db2.gz XQVFWLCGSIAVEX-VVLHAWIVSA-N 2 0 338.496 1.269 20 0 EDADRP CO[C@H]1C[NH2+][C@@H](C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)C1 ZINC000514792950 448204869 /nfs/dbraw/zinc/20/48/69/448204869.db2.gz RERMIUMNTCFJCX-KFWWJZLASA-N 2 0 325.840 1.436 20 0 EDADRP CC(C)NC(=O)NCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000571795062 448208250 /nfs/dbraw/zinc/20/82/50/448208250.db2.gz XWFLLNMSBGTVGY-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP O=C(NCCC1=CC[NH2+]CC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000515004721 448240648 /nfs/dbraw/zinc/24/06/48/448240648.db2.gz CROLVDLTIPOAGS-UHFFFAOYSA-N 2 0 336.480 1.050 20 0 EDADRP C[C@H](C[N@H+](C)CCN(C)C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000492608747 448237718 /nfs/dbraw/zinc/23/77/18/448237718.db2.gz MGUWEWBBTMLPTK-OAHLLOKOSA-N 2 0 342.528 1.857 20 0 EDADRP Cc1ccccc1CNC(=O)C[NH+]1CCC([C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000514850958 448214265 /nfs/dbraw/zinc/21/42/65/448214265.db2.gz QEVQOXILXLEWJV-RTBURBONSA-N 2 0 345.487 1.830 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCc1noc2ccccc12 ZINC000514871882 448219463 /nfs/dbraw/zinc/21/94/63/448219463.db2.gz SUEPMBRJIQSKSN-UHFFFAOYSA-N 2 0 333.436 1.463 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(C[NH+](C)C)CCCC2)C[C@@H](C)O1 ZINC000577172977 448224209 /nfs/dbraw/zinc/22/42/09/448224209.db2.gz OQVYLAUUYSVPFB-ZACQAIPSSA-N 2 0 327.513 1.168 20 0 EDADRP C[C@@H]1CN(C)C[C@H](C(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)O1 ZINC000527558984 448284566 /nfs/dbraw/zinc/28/45/66/448284566.db2.gz YMJBTKKETQUHMG-SZVBFZGTSA-N 2 0 331.460 1.486 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)ccc1OCC[NH+](C)C ZINC000577400307 448288962 /nfs/dbraw/zinc/28/89/62/448288962.db2.gz VOELUNOIWKBSEM-UKRRQHHQSA-N 2 0 335.448 1.250 20 0 EDADRP COc1ccccc1COC[C@H](O)C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000582661051 448303254 /nfs/dbraw/zinc/30/32/54/448303254.db2.gz OIEHGKDEIYIGSY-SJLPKXTDSA-N 2 0 336.476 1.894 20 0 EDADRP CCOC(=O)CCC1CC[NH+](C[C@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000591272416 448303363 /nfs/dbraw/zinc/30/33/63/448303363.db2.gz JNQKZWOBVFAWII-MRXNPFEDSA-N 2 0 339.480 1.239 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000582797591 448344864 /nfs/dbraw/zinc/34/48/64/448344864.db2.gz VHRKXHBNQPMRNQ-QZTJIDSGSA-N 2 0 330.476 1.682 20 0 EDADRP COc1cccc([C@H]2[C@H](NC(=O)C3(C)C[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000582899207 448372052 /nfs/dbraw/zinc/37/20/52/448372052.db2.gz GMZLRYVAIHSNGB-SJORKVTESA-N 2 0 329.444 1.699 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000516025522 448370779 /nfs/dbraw/zinc/37/07/79/448370779.db2.gz HATMYXGAUPGBOQ-KBAYOESNSA-N 2 0 330.476 1.948 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2csc(N(C)C)n2)CC[NH2+]CC1 ZINC000591569448 448394158 /nfs/dbraw/zinc/39/41/58/448394158.db2.gz ZBTWGNBMMPCKSA-GFCCVEGCSA-N 2 0 340.493 1.620 20 0 EDADRP C[NH2+]C[C@](C)(O)C[NH+]1CCC(CC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000572847798 448479613 /nfs/dbraw/zinc/47/96/13/448479613.db2.gz RSVKPXTULJBCSA-NUJGCVRESA-N 3 0 327.513 1.168 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)CC1 ZINC000516869602 448486924 /nfs/dbraw/zinc/48/69/24/448486924.db2.gz LVBDMINRBQOAJC-LJQANCHMSA-N 2 0 330.476 1.905 20 0 EDADRP CN1CCN(C(=O)N2CCC(Cc3ccccc3)CC2)[C@@H](C[NH3+])C1 ZINC000516930464 448500979 /nfs/dbraw/zinc/50/09/79/448500979.db2.gz PHYAMTWTMWKMAG-SFHVURJKSA-N 2 0 330.476 1.636 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000578499780 448561071 /nfs/dbraw/zinc/56/10/71/448561071.db2.gz ZQPRYNBZKLNABF-AEFFLSMTSA-N 2 0 335.517 1.215 20 0 EDADRP Cc1ccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c2ccccc12 ZINC000578523218 448570529 /nfs/dbraw/zinc/57/05/29/448570529.db2.gz RPZCROMGUCQMMN-SFHVURJKSA-N 2 0 327.472 1.846 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000578546799 448577728 /nfs/dbraw/zinc/57/77/28/448577728.db2.gz PLJJWZAROFRMHZ-QGZVFWFLSA-N 2 0 331.460 1.081 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](CNc2cc(N3CC[C@@H]([C@H](C)O)C3)ncn2)C1 ZINC000584516509 448552888 /nfs/dbraw/zinc/55/28/88/448552888.db2.gz VIZSQOXWFIKVLZ-ARFHVFGLSA-N 2 0 333.480 1.826 20 0 EDADRP O[C@H](CNc1ccc(CC[NH+]2CCCCC2)cc1)CN1CCOCC1 ZINC000584716701 448606282 /nfs/dbraw/zinc/60/62/82/448606282.db2.gz LVYUJFSGZZHUNN-HXUWFJFHSA-N 2 0 347.503 1.820 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[NH2+]C1 ZINC000578745289 448625787 /nfs/dbraw/zinc/62/57/87/448625787.db2.gz MONNMXOFLQNPFL-WBVHZDCISA-N 2 0 339.867 1.685 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)C1 ZINC000573267050 448585243 /nfs/dbraw/zinc/58/52/43/448585243.db2.gz YJGUYUHEMWSTQC-DLBZAZTESA-N 3 0 332.496 1.238 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000573474375 448637832 /nfs/dbraw/zinc/63/78/32/448637832.db2.gz SMEOAHRHVBHOHM-WMZOPIPTSA-N 2 0 330.476 1.572 20 0 EDADRP [NH3+]C[C@H]1C[N@@H+]([C@@H]2CCc3ccccc3NC2=O)CC12CCOCC2 ZINC000584840361 448651436 /nfs/dbraw/zinc/65/14/36/448651436.db2.gz ZYHFDOSNAZYIEU-DOTOQJQBSA-N 2 0 329.444 1.627 20 0 EDADRP [NH3+]CC1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000578865127 448655552 /nfs/dbraw/zinc/65/55/52/448655552.db2.gz OYQZUWMURWSCMK-FUHWJXTLSA-N 2 0 348.466 1.899 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCC(CO)CC2)c1 ZINC000578872192 448658430 /nfs/dbraw/zinc/65/84/30/448658430.db2.gz SDJVYUGFJWRAIS-KDOFPFPSSA-N 2 0 331.460 1.827 20 0 EDADRP C[C@]1(CNC(=O)NCC[N@@H+]2CCc3ccccc3C2)CCC[NH2+]C1 ZINC000518343209 448666928 /nfs/dbraw/zinc/66/69/28/448666928.db2.gz KBAULSPHZOINLH-IBGZPJMESA-N 2 0 330.476 1.734 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CC2(Cc3ccccc3)CCCC2)CC1 ZINC000584775448 448627108 /nfs/dbraw/zinc/62/71/08/448627108.db2.gz NCFWSJKNJPOAPF-FQEVSTJZSA-N 2 0 345.531 1.987 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528680192 448627500 /nfs/dbraw/zinc/62/75/00/448627500.db2.gz CMNVEFQQHANKTC-HNNXBMFYSA-N 2 0 345.447 1.253 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+])CC1 ZINC000578988738 448688003 /nfs/dbraw/zinc/68/80/03/448688003.db2.gz OADYHFYLYWCIQD-LSDHHAIUSA-N 2 0 340.512 1.199 20 0 EDADRP COC(=O)[C@@H]1C[NH+]([C@H](C)CC[N@@H+]2C[C@@H](C)[C@H](C(=O)OC)C2)C[C@H]1C ZINC000592129623 448699366 /nfs/dbraw/zinc/69/93/66/448699366.db2.gz KUDHTKODIRJLAV-OXGONZEZSA-N 2 0 340.464 1.247 20 0 EDADRP C[C@]1(C(=O)Nc2ccc(C[N@@H+]3CCC[C@H](C(N)=O)C3)cc2)CCC[NH2+]1 ZINC000518775632 448709365 /nfs/dbraw/zinc/70/93/65/448709365.db2.gz SYLLGTAZWILVCZ-HNAYVOBHSA-N 2 0 344.459 1.465 20 0 EDADRP C[C@H](O)C[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000579100542 448713751 /nfs/dbraw/zinc/71/37/51/448713751.db2.gz FFUYGJSVLCJSQB-MAUKXSAKSA-N 2 0 337.508 1.745 20 0 EDADRP Cn1cncc1[C@@H]1NC(=O)CC[C@H]1[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000573981256 448762757 /nfs/dbraw/zinc/76/27/57/448762757.db2.gz LHGLISZHJZWQDN-VQIMIIECSA-N 2 0 345.491 1.736 20 0 EDADRP CN(C(=O)NC[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000579134633 448724697 /nfs/dbraw/zinc/72/46/97/448724697.db2.gz ZDHNDTMDGNRJHS-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP NC(=O)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCCC1 ZINC000573830836 448725400 /nfs/dbraw/zinc/72/54/00/448725400.db2.gz LFDRAPXYHGTXSF-BEFAXECRSA-N 2 0 329.444 1.878 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NCC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000518979998 448728592 /nfs/dbraw/zinc/72/85/92/448728592.db2.gz YVHPFAGTXJMBNS-JYJNAYRXSA-N 2 0 348.491 1.255 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)c2cn(C3CC[NH2+]CC3)nn2)c1 ZINC000567818963 448768391 /nfs/dbraw/zinc/76/83/91/448768391.db2.gz DUCOYKIYWVVQSO-UHFFFAOYSA-N 2 0 342.447 1.825 20 0 EDADRP CC[C@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000529373707 448846324 /nfs/dbraw/zinc/84/63/24/448846324.db2.gz CEJZJDHDGBWGGR-MSOLQXFVSA-N 2 0 346.475 1.281 20 0 EDADRP NC(=O)C1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000568248700 448844849 /nfs/dbraw/zinc/84/48/49/448844849.db2.gz YBRXXZLOMLSENG-OALUTQOASA-N 3 0 344.503 1.743 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2COCC[NH2+]2)[C@@H](C)C[N@@H+]1Cc1ccccc1 ZINC000529373229 448846724 /nfs/dbraw/zinc/84/67/24/448846724.db2.gz AIUDVRKYRUQRQW-SOLBZPMBSA-N 2 0 346.475 1.279 20 0 EDADRP C[C@H](C(=O)NC1CC[NH+](Cc2ccccc2)CC1)[N@H+](C)C1CC(O)C1 ZINC000546800570 448851888 /nfs/dbraw/zinc/85/18/88/448851888.db2.gz NHNAAGIAUOWICH-VNCLNFNDSA-N 2 0 345.487 1.611 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N[C@@H]2C[NH2+]CCC2(F)F)[C@@H]1c1ccccc1 ZINC000520203840 448870816 /nfs/dbraw/zinc/87/08/16/448870816.db2.gz GKVOFDIFYZNPGW-ZNMIVQPWSA-N 2 0 338.402 1.728 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000520220139 448872227 /nfs/dbraw/zinc/87/22/27/448872227.db2.gz RQZVCMWZDLMGHL-SFHVURJKSA-N 2 0 339.911 1.859 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000568486961 448877731 /nfs/dbraw/zinc/87/77/31/448877731.db2.gz OAKFFWLDLPOAEZ-UONOGXRCSA-N 2 0 331.416 1.029 20 0 EDADRP C[NH+](C)CCN(C(=O)c1cnn2c1[C@H](C[NH3+])CCC2)C1CCCC1 ZINC000592558234 448900620 /nfs/dbraw/zinc/90/06/20/448900620.db2.gz CWMWBFQHEUDCSC-AWEZNQCLSA-N 2 0 333.480 1.666 20 0 EDADRP [NH3+]C1C[C@H]2CC[C@@H](C1)C2Nc1cc(N2CCCC[C@H]2CO)ncn1 ZINC000574551231 448902272 /nfs/dbraw/zinc/90/22/72/448902272.db2.gz KMGNRZOXNHRMRV-ICEFOOHZSA-N 2 0 331.464 1.756 20 0 EDADRP CC[NH+]1CCC(CNC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)CC1 ZINC000568727721 448909026 /nfs/dbraw/zinc/90/90/26/448909026.db2.gz BQCVXOGTFYFCHW-UHFFFAOYSA-N 2 0 344.459 1.119 20 0 EDADRP COc1ccc(F)cc1[C@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000520554015 448909813 /nfs/dbraw/zinc/90/98/13/448909813.db2.gz UEOCYXUQXDYUMC-DZGCQCFKSA-N 2 0 325.428 1.093 20 0 EDADRP CC(C)OCCOC[C@@H](O)C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000579967439 448924045 /nfs/dbraw/zinc/92/40/45/448924045.db2.gz JTXYFXLIDJMPDI-IBGZPJMESA-N 2 0 336.476 1.567 20 0 EDADRP COc1ccccc1[C@]1(C)C[C@@H]1[NH2+]C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000520398109 448890826 /nfs/dbraw/zinc/89/08/26/448890826.db2.gz RGKUJXXAQGFJQZ-MHZKCTCGSA-N 2 0 348.487 1.785 20 0 EDADRP CC(C)[C@@H](CNC(=O)N1CCN(C)C[C@@H]1C[NH3+])[NH+]1CCC(C)CC1 ZINC000574741344 448944110 /nfs/dbraw/zinc/94/41/10/448944110.db2.gz XBUUUOSSOZYPSV-DLBZAZTESA-N 2 0 339.528 1.027 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2cnc(N3CCCC3)nc2)CC1 ZINC000582109841 449012575 /nfs/dbraw/zinc/01/25/75/449012575.db2.gz DNIDMNGDLLYUJT-QZTJIDSGSA-N 2 0 345.491 1.795 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC000522147388 449056077 /nfs/dbraw/zinc/05/60/77/449056077.db2.gz GADXCAURUSWQBA-QGZVFWFLSA-N 2 0 349.475 1.212 20 0 EDADRP C[C@H]([C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1)N1CCOCC1 ZINC000548717039 449088553 /nfs/dbraw/zinc/08/85/53/449088553.db2.gz DTXHZLLJIMCMRY-JKSUJKDBSA-N 2 0 325.497 1.866 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]C(C)(C)CN2CC[NH+](CC)CC2)n1 ZINC000600173049 449225805 /nfs/dbraw/zinc/22/58/05/449225805.db2.gz SFQYNMMBMFYHMJ-UHFFFAOYSA-N 2 0 348.491 1.764 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N1CC[C@@H]([N@H+](C)CCc2ccccc2)C1 ZINC000595945829 449272146 /nfs/dbraw/zinc/27/21/46/449272146.db2.gz OOJICILKVAUYLT-SJORKVTESA-N 2 0 347.459 1.042 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)CC[N@@H+]2CCc3ccccc3C2)C1 ZINC000614066892 449441452 /nfs/dbraw/zinc/44/14/52/449441452.db2.gz LTWPTXOVKDNTDG-FQEVSTJZSA-N 2 0 345.487 1.350 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+][C@@H]3CCN(C4CC[NH+](C)CC4)C3)cc12 ZINC000602277291 449484941 /nfs/dbraw/zinc/48/49/41/449484941.db2.gz JJCSUOSPUBTITJ-MRXNPFEDSA-N 2 0 342.491 1.535 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000614063914 449439020 /nfs/dbraw/zinc/43/90/20/449439020.db2.gz JHGSSPSHRIGEQL-ICSRJNTNSA-N 2 0 345.487 1.424 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)C1 ZINC000596654944 449588420 /nfs/dbraw/zinc/58/84/20/449588420.db2.gz RTSBBMIYORNJDI-QWHCGFSZSA-N 2 0 336.436 1.633 20 0 EDADRP COC(=O)c1cc(C[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)c(C)o1 ZINC000594599448 449588809 /nfs/dbraw/zinc/58/88/09/449588809.db2.gz FUXUPNUBEJBKOO-INIZCTEOSA-N 2 0 337.464 1.736 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H](C)C(C)(C)n3cncn3)C2)CC1 ZINC000602480545 449624028 /nfs/dbraw/zinc/62/40/28/449624028.db2.gz CRFUMZTUYYYPFN-SJORKVTESA-N 2 0 334.512 1.502 20 0 EDADRP COC(=O)c1cc(CNc2c[nH+]ccc2N2CC[NH+](C)CC2)on1 ZINC000602579124 449685701 /nfs/dbraw/zinc/68/57/01/449685701.db2.gz AHHXPFMVHYMQPB-UHFFFAOYSA-N 2 0 331.376 1.220 20 0 EDADRP COC(=O)CC1CCC([NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)CC1 ZINC000599019895 449699966 /nfs/dbraw/zinc/69/99/66/449699966.db2.gz OFZVKFKIMCGJNQ-DAWZGUTISA-N 2 0 339.524 1.970 20 0 EDADRP CC[N@H+](CC(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000617702356 449748511 /nfs/dbraw/zinc/74/85/11/449748511.db2.gz NRIGPYWJVZUMEN-GOSISDBHSA-N 2 0 331.460 1.354 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)[C@H]3C[C@@H]3C(=O)OC)cn2)CC1 ZINC000594925179 449810175 /nfs/dbraw/zinc/81/01/75/449810175.db2.gz MCHGHMLHEZVWSX-OIISXLGYSA-N 2 0 346.475 1.511 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@@H](SC)[C@H]([NH+]3CCCC3)C2)CC[N@@H+]1C ZINC000601437005 449959144 /nfs/dbraw/zinc/95/91/44/449959144.db2.gz MTDALZJEXJRBLD-ZJIFWQFVSA-N 2 0 325.522 1.755 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612964560 449960275 /nfs/dbraw/zinc/96/02/75/449960275.db2.gz RHYAXDXMTIFAIM-GOEBONIOSA-N 2 0 332.448 1.858 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCN3C[C@@H](C)O[C@H](C)C3)C2)CC1 ZINC000595340348 450054320 /nfs/dbraw/zinc/05/43/20/450054320.db2.gz RTJIDLKBTBVOLT-GUDVDZBRSA-N 2 0 338.540 1.196 20 0 EDADRP C[C@@H]1CN(C(C)(C)CNC(=O)N[C@@H]2CCC[N@H+](C)C2)C[C@@H](C)O1 ZINC000618549531 450238601 /nfs/dbraw/zinc/23/86/01/450238601.db2.gz AYXQTODVPJWDPZ-RBSFLKMASA-N 2 0 326.485 1.268 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000618663824 450267105 /nfs/dbraw/zinc/26/71/05/450267105.db2.gz MTWWVTFFFCNGNC-QGZVFWFLSA-N 2 0 336.524 1.537 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000619893438 450358689 /nfs/dbraw/zinc/35/86/89/450358689.db2.gz ILPSGHKFVBBFJN-ROUUACIJSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@]2(CO)CCCC(C)(C)C2)CC1 ZINC000625836091 450518573 /nfs/dbraw/zinc/51/85/73/450518573.db2.gz SXDSGTYYYQYVED-LJQANCHMSA-N 2 0 339.524 1.896 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CCOCC1 ZINC000623636990 450556992 /nfs/dbraw/zinc/55/69/92/450556992.db2.gz JKTZOZOMQDLHFV-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC2(CCCC2)OC[C@@H]1C[NH+](C)C ZINC000620915181 450560604 /nfs/dbraw/zinc/56/06/04/450560604.db2.gz DRPORUKJEMCKEO-BBWFWOEESA-N 2 0 337.508 1.961 20 0 EDADRP CO[C@@H]1CCC[C@H]1S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000631644340 450691741 /nfs/dbraw/zinc/69/17/41/450691741.db2.gz FPWYISNDVIOVJJ-HZPDHXFCSA-N 2 0 349.541 1.089 20 0 EDADRP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000629519471 450723341 /nfs/dbraw/zinc/72/33/41/450723341.db2.gz AHFXYEYYVUGHGW-LBPRGKRZSA-N 2 0 327.450 1.217 20 0 EDADRP O=C(c1ccccc1)N1CCC(C[NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629564439 450739094 /nfs/dbraw/zinc/73/90/94/450739094.db2.gz KJMBEXSVMOJCHF-IBGZPJMESA-N 2 0 345.487 1.585 20 0 EDADRP C[C@@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1)c1ccccc1 ZINC000631821416 450797830 /nfs/dbraw/zinc/79/78/30/450797830.db2.gz XDLQOQMXIDEFNZ-HLLBOEOZSA-N 2 0 346.475 1.039 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)NC[C@H]2CC[NH+](C3CC3)C2)[C@@H](c2ccccc2)C1 ZINC000624486883 450862362 /nfs/dbraw/zinc/86/23/62/450862362.db2.gz QPUNYMOPFHLZDZ-LZQZEXGQSA-N 2 0 327.472 1.932 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC[N@@H+]1C ZINC000631910381 450869417 /nfs/dbraw/zinc/86/94/17/450869417.db2.gz DCGIQQWOTMVVTK-XWTMOSNGSA-N 2 0 337.508 1.601 20 0 EDADRP [NH3+]C[C@@H]1c2ccccc2CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631946723 450904752 /nfs/dbraw/zinc/90/47/52/450904752.db2.gz IKXPTOOXEGSDPI-QGZVFWFLSA-N 2 0 337.489 1.360 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)c2ccccc2)CC1 ZINC000635491051 450988156 /nfs/dbraw/zinc/98/81/56/450988156.db2.gz LYSDVYWHHHAOLP-OALUTQOASA-N 2 0 344.503 1.576 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(C(F)(F)F)c[nH]c1=O ZINC000635502639 450996972 /nfs/dbraw/zinc/99/69/72/450996972.db2.gz JIBXVPUUKHMKQO-UHFFFAOYSA-N 2 0 348.369 1.371 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CC[NH2+][C@H]1C)Cc1ccccc1 ZINC000626934315 451016508 /nfs/dbraw/zinc/01/65/08/451016508.db2.gz XGVLVXPXYCERNN-RYQLBKOJSA-N 2 0 332.492 1.989 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000626948767 451027652 /nfs/dbraw/zinc/02/76/52/451027652.db2.gz ZHFNRUSYRGHJGG-BZUAXINKSA-N 2 0 328.501 1.230 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)C[C@@H]3CC[N@H+](C)C3)CCCC2)CC1 ZINC000635539512 451036088 /nfs/dbraw/zinc/03/60/88/451036088.db2.gz QDZIIABUYNWLGK-INIZCTEOSA-N 2 0 337.508 1.868 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626991211 451057500 /nfs/dbraw/zinc/05/75/00/451057500.db2.gz CQVDZRHKTSFMPT-CHWSQXEVSA-N 2 0 338.418 1.887 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000627008268 451072848 /nfs/dbraw/zinc/07/28/48/451072848.db2.gz FPRHHFNTFQGIBP-UHFFFAOYSA-N 2 0 349.479 1.175 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)CCC1 ZINC000627018577 451083016 /nfs/dbraw/zinc/08/30/16/451083016.db2.gz YXGMFWDRFSIJPH-RYUDHWBXSA-N 2 0 336.402 1.639 20 0 EDADRP CCN(CC[NH3+])C(=O)NC[C@@H]1CSCCN1Cc1ccccc1 ZINC000627019445 451083823 /nfs/dbraw/zinc/08/38/23/451083823.db2.gz DBUGILPEHCHMJK-MRXNPFEDSA-N 2 0 336.505 1.594 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000635590748 451088253 /nfs/dbraw/zinc/08/82/53/451088253.db2.gz YIDSSJYJZKSASI-QGZVFWFLSA-N 2 0 337.508 1.822 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+][C@H]2C)[C@@H](C)C1 ZINC000626981237 451049892 /nfs/dbraw/zinc/04/98/92/451049892.db2.gz ZEKQZKKZRUWRRG-CAOSSQGBSA-N 2 0 326.485 1.173 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635664848 451149907 /nfs/dbraw/zinc/14/99/07/451149907.db2.gz DXNPSCVKXLAXIC-SFHVURJKSA-N 2 0 337.508 1.963 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000634006183 451149855 /nfs/dbraw/zinc/14/98/55/451149855.db2.gz JEBDRRWRPFAOMN-UHFFFAOYSA-N 2 0 326.485 1.448 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000634123831 451199487 /nfs/dbraw/zinc/19/94/87/451199487.db2.gz YADKJTVRZKMXCE-UHFFFAOYSA-N 2 0 348.491 1.968 20 0 EDADRP C[N@@H+]1CC[C@H](CC(=O)NCc2ccccc2C[NH+]2CC[C@@H](O)C2)C1 ZINC000635787686 451239505 /nfs/dbraw/zinc/23/95/05/451239505.db2.gz YDGMEZDCZIETJY-CRAIPNDOSA-N 2 0 331.460 1.211 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N[C@H](CO)C[NH+]2CCCC2)CC1 ZINC000640324624 451254492 /nfs/dbraw/zinc/25/44/92/451254492.db2.gz UJPSZHOFBRNKNR-KRWDZBQOSA-N 2 0 346.475 1.179 20 0 EDADRP COCC[C@@H]([NH3+])Cc1cn(CC[N@H+](C)Cc2cccc(F)c2)nn1 ZINC000630589830 451265871 /nfs/dbraw/zinc/26/58/71/451265871.db2.gz LQGMJINDTYRWLX-MRXNPFEDSA-N 2 0 335.427 1.456 20 0 EDADRP COCC[C@H]([NH3+])Cc1cn(CC[N@H+](C)Cc2cccc(F)c2)nn1 ZINC000630589829 451266345 /nfs/dbraw/zinc/26/63/45/451266345.db2.gz LQGMJINDTYRWLX-INIZCTEOSA-N 2 0 335.427 1.456 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)[C@@H](C)C1 ZINC000638120935 451289739 /nfs/dbraw/zinc/28/97/39/451289739.db2.gz AZBOWWYCGHDRDS-QGTPRVQTSA-N 2 0 333.476 1.754 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])Cc2cccc(OC)c2)C1 ZINC000638127254 451297110 /nfs/dbraw/zinc/29/71/10/451297110.db2.gz ALRNFWKQKHGTBH-SJLPKXTDSA-N 2 0 333.476 1.755 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000638131955 451303390 /nfs/dbraw/zinc/30/33/90/451303390.db2.gz FFEWGIVYNXFKDG-RYRKJORJSA-N 2 0 331.460 1.650 20 0 EDADRP C[C@@H](CCNC(=O)[C@@]1(C[NH3+])CCCOC1)[N@H+](C)Cc1ccccc1 ZINC000638132095 451303924 /nfs/dbraw/zinc/30/39/24/451303924.db2.gz OYXARFMHELZRKC-QFBILLFUSA-N 2 0 333.476 1.769 20 0 EDADRP [NH3+][C@H]1CCC[C@H](NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000638198511 451351849 /nfs/dbraw/zinc/35/18/49/451351849.db2.gz CBXVEMBTUKWHDC-ROUUACIJSA-N 2 0 344.503 1.756 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000635920294 451365380 /nfs/dbraw/zinc/36/53/80/451365380.db2.gz BIASXSDMVKZZPP-SJORKVTESA-N 2 0 341.496 1.057 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000635927432 451370116 /nfs/dbraw/zinc/37/01/16/451370116.db2.gz NOFUHVYPLMJVCO-SJORKVTESA-N 2 0 341.496 1.057 20 0 EDADRP O=C([C@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000638229832 451371101 /nfs/dbraw/zinc/37/11/01/451371101.db2.gz QSUQAWGQFHQHHG-OALUTQOASA-N 2 0 342.487 1.015 20 0 EDADRP O=C([C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000638241949 451376282 /nfs/dbraw/zinc/37/62/82/451376282.db2.gz URDMLIVDEIRDOK-MOPGFXCFSA-N 2 0 342.487 1.015 20 0 EDADRP [NH3+][C@@H](C(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000638266748 451388125 /nfs/dbraw/zinc/38/81/25/451388125.db2.gz ROCYOLBDPIVIKB-QWHCGFSZSA-N 2 0 331.338 1.200 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635948350 451388372 /nfs/dbraw/zinc/38/83/72/451388372.db2.gz LZCKJSPLGNWASV-QAPCUYQASA-N 2 0 335.492 1.715 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638285229 451403597 /nfs/dbraw/zinc/40/35/97/451403597.db2.gz VQYPKQKWROIATR-ROUUACIJSA-N 2 0 332.492 1.244 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NC2CC([NH+]3CCCCC3)C2)c1 ZINC000638288169 451404700 /nfs/dbraw/zinc/40/47/00/451404700.db2.gz KGHUFWDMGDWGIU-HTWSVDAQSA-N 2 0 331.460 1.698 20 0 EDADRP CO[C@@H]1C[NH2+][C@](C)(C(=O)NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000638304330 451418852 /nfs/dbraw/zinc/41/88/52/451418852.db2.gz FMZBOSTYHTTWEF-LJHODMEESA-N 2 0 346.475 1.490 20 0 EDADRP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638309592 451422378 /nfs/dbraw/zinc/42/23/78/451422378.db2.gz SEAJZFDLTXYYFM-GDBMZVCRSA-N 2 0 339.443 1.576 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(n4cccn4)C3)cn2)CC1 ZINC000638347802 451449838 /nfs/dbraw/zinc/44/98/38/451449838.db2.gz YFSNCULYYCDLDS-UHFFFAOYSA-N 2 0 326.448 1.523 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)c1 ZINC000638350720 451451783 /nfs/dbraw/zinc/45/17/83/451451783.db2.gz ADMYOMIEVJXOOS-MSOLQXFVSA-N 2 0 345.487 1.802 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N2CC[C@H](c3ccc(F)cc3)[C@@H]([NH3+])C2)cn1 ZINC000638351911 451452622 /nfs/dbraw/zinc/45/26/22/451452622.db2.gz LMZQJHIZAKDZAV-CABCVRRESA-N 2 0 329.379 1.031 20 0 EDADRP [NH3+]C[C@]1(C(=O)N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)CCCOC1 ZINC000638367455 451465490 /nfs/dbraw/zinc/46/54/90/451465490.db2.gz OSHIZHWFOVRCEV-NLWGTHIKSA-N 2 0 343.471 1.475 20 0 EDADRP CC[C@@H](C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[NH+](C)C ZINC000638410558 451497483 /nfs/dbraw/zinc/49/74/83/451497483.db2.gz GHMGAZKLNMVTTD-WQVCFCJDSA-N 2 0 325.403 1.867 20 0 EDADRP Cc1cccc(OC[C@@H](O)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000638417485 451502686 /nfs/dbraw/zinc/50/26/86/451502686.db2.gz CLUKWEQIPKCGBV-KRWDZBQOSA-N 2 0 336.476 1.560 20 0 EDADRP CC(C)[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)[C@@H]1C[NH2+]CCO1 ZINC000638481822 451535182 /nfs/dbraw/zinc/53/51/82/451535182.db2.gz RMCWUVVIQXZOAM-MSOLQXFVSA-N 2 0 331.460 1.344 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000636837730 451545487 /nfs/dbraw/zinc/54/54/87/451545487.db2.gz UEIGCSQNRJTHKE-MRXNPFEDSA-N 2 0 334.468 1.756 20 0 EDADRP c1cnc(N2CC[NH+](CCCC[NH2+]CCC[C@@H]3CCO3)CC2)nc1 ZINC000638529322 451561181 /nfs/dbraw/zinc/56/11/81/451561181.db2.gz HQDKHSSKWVMCOG-QGZVFWFLSA-N 2 0 333.480 1.538 20 0 EDADRP CC[C@@](C)(C[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)OC ZINC000638529609 451561482 /nfs/dbraw/zinc/56/14/82/451561482.db2.gz KTABTZLTBZEEJX-SFHVURJKSA-N 2 0 335.496 1.784 20 0 EDADRP [NH3+][C@@H](C(=O)NCC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000638541591 451568995 /nfs/dbraw/zinc/56/89/95/451568995.db2.gz JSPVRKOVJHIIND-GFCCVEGCSA-N 2 0 331.338 1.329 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000638557221 451575930 /nfs/dbraw/zinc/57/59/30/451575930.db2.gz HIKWNYRHJVBWBQ-GXTWGEPZSA-N 2 0 329.366 1.787 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000638603105 451600266 /nfs/dbraw/zinc/60/02/66/451600266.db2.gz QUPNEPZSTAMQIZ-SFHVURJKSA-N 2 0 343.471 1.934 20 0 EDADRP C[C@@H](CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000638603439 451602121 /nfs/dbraw/zinc/60/21/21/451602121.db2.gz TWQDKXGYBSRAFD-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000636988486 451663925 /nfs/dbraw/zinc/66/39/25/451663925.db2.gz JYIHDXWNAKHCOW-RDJZCZTQSA-N 2 0 334.464 1.739 20 0 EDADRP CN(CC(=O)N1CC[NH2+]CC1)Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634991179 451639910 /nfs/dbraw/zinc/63/99/10/451639910.db2.gz STNSFRXYKMQRBY-UHFFFAOYSA-N 2 0 339.443 1.194 20 0 EDADRP C[NH+](C)CCCOc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000632911760 451646474 /nfs/dbraw/zinc/64/64/74/451646474.db2.gz VUMZLLWPDSIQIC-IYBDPMFKSA-N 2 0 332.448 1.985 20 0 EDADRP CO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C1CCOCC1 ZINC000638747103 451673629 /nfs/dbraw/zinc/67/36/29/451673629.db2.gz AIIUTYGBBDZMSA-GUDVDZBRSA-N 2 0 340.508 1.786 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638780602 451688474 /nfs/dbraw/zinc/68/84/74/451688474.db2.gz TZUUPRLNQJBUNA-QZTJIDSGSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@H]([NH3+])c1ccc(C(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000638785189 451691504 /nfs/dbraw/zinc/69/15/04/451691504.db2.gz MFTIMRWBZXAWSW-KBXCAEBGSA-N 2 0 331.460 1.937 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000631321069 451694482 /nfs/dbraw/zinc/69/44/82/451694482.db2.gz HWORXRHFUKOLKY-UHFFFAOYSA-N 2 0 347.438 1.575 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3CCCCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000638815124 451699046 /nfs/dbraw/zinc/69/90/46/451699046.db2.gz AMYBBZYTKMVWSM-LJQANCHMSA-N 2 0 344.503 1.778 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[C@@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000638876542 451716202 /nfs/dbraw/zinc/71/62/02/451716202.db2.gz JISFQJOJLDNLBK-GPMSIDNRSA-N 2 0 333.476 1.595 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)[C@@H]([NH3+])Cc2cccc(OC)c2)CC1 ZINC000638979332 451744768 /nfs/dbraw/zinc/74/47/68/451744768.db2.gz AYEGZSJCARTMEK-KRWDZBQOSA-N 2 0 333.476 1.898 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CC[NH2+]C1 ZINC000639003468 451751029 /nfs/dbraw/zinc/75/10/29/451751029.db2.gz ALKDSYDQLWQKAG-HKUYNNGSSA-N 2 0 331.460 1.312 20 0 EDADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cc([C@@H]3CC[NH2+]C3)[nH]n2)C1 ZINC000639024446 451754004 /nfs/dbraw/zinc/75/40/04/451754004.db2.gz ORVKJYLKCGYCBZ-TZMCWYRMSA-N 2 0 325.416 1.264 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000639025906 451754172 /nfs/dbraw/zinc/75/41/72/451754172.db2.gz VFSIMMYEZZJXMF-SJORKVTESA-N 2 0 335.492 1.622 20 0 EDADRP O=C(CC1([NH+]2CCOCC2)CCCC1)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000639025904 451754189 /nfs/dbraw/zinc/75/41/89/451754189.db2.gz VFSIMMYEZZJXMF-IAGOWNOFSA-N 2 0 335.492 1.622 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)N2CC[C@H](C[NH3+])c3ccccc32)cn1 ZINC000639063932 451760443 /nfs/dbraw/zinc/76/04/43/451760443.db2.gz LACKCOVUBKANQG-CQSZACIVSA-N 2 0 327.432 1.538 20 0 EDADRP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cn1 ZINC000639080140 451764091 /nfs/dbraw/zinc/76/40/91/451764091.db2.gz POFNJWOQJSQJPB-DLBZAZTESA-N 2 0 336.480 1.465 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC2(CC[NH2+]CC2)CC1 ZINC000641174804 451769365 /nfs/dbraw/zinc/76/93/65/451769365.db2.gz VMJUQJKKRBLJDT-UHFFFAOYSA-N 2 0 328.460 1.965 20 0 EDADRP COc1ccc([C@@H](CO)C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1 ZINC000639259980 451800007 /nfs/dbraw/zinc/80/00/07/451800007.db2.gz YRTKXCOALVFGJV-MRXNPFEDSA-N 2 0 336.476 1.596 20 0 EDADRP O=C(NCCNc1cc[nH+]cc1)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000637373780 451805586 /nfs/dbraw/zinc/80/55/86/451805586.db2.gz RSJBOWRROXGCMO-QGZVFWFLSA-N 2 0 331.464 1.622 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccc(OCCN3CCOCC3)cc2)C[C@]1(C)CO ZINC000639331736 451830748 /nfs/dbraw/zinc/83/07/48/451830748.db2.gz YHPDHHLLFJZSIS-YLJYHZDGSA-N 2 0 348.487 1.848 20 0 EDADRP C[C@H]1CC[N@H+](CCNS(=O)(=O)c2cccc3c2CCN(C)C3)C1 ZINC000641366065 451898814 /nfs/dbraw/zinc/89/88/14/451898814.db2.gz VKLWXQBGHDHUFN-AWEZNQCLSA-N 2 0 337.489 1.295 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000642440141 451879695 /nfs/dbraw/zinc/87/96/95/451879695.db2.gz XCSJBHOFWIWIOK-RHSMWYFYSA-N 2 0 346.475 1.313 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)Cc1ccc(F)cc1 ZINC000644601521 451887403 /nfs/dbraw/zinc/88/74/03/451887403.db2.gz RTHYWPWUDAXOPL-OTWHNJEPSA-N 2 0 336.451 1.697 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCOc1ccccc1C(=O)NCC1C[NH2+]C1 ZINC000646901863 451920941 /nfs/dbraw/zinc/92/09/41/451920941.db2.gz QXZUDLQVIQYKCO-OAHLLOKOSA-N 2 0 331.460 1.889 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)N2CCO[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000637518642 451921596 /nfs/dbraw/zinc/92/15/96/451921596.db2.gz JSNHLCNDXGUGIH-XYPHTWIQSA-N 2 0 334.464 1.567 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H]2CCCCN2C1=O ZINC000651608552 451955921 /nfs/dbraw/zinc/95/59/21/451955921.db2.gz KXVGYLYMYBHXCR-IAGOWNOFSA-N 2 0 325.416 1.819 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)[C@@]1(N)CC[N@H+](C)C1 ZINC000649290795 451965740 /nfs/dbraw/zinc/96/57/40/451965740.db2.gz SWIBNKDAAYVINK-LJQANCHMSA-N 2 0 348.491 1.056 20 0 EDADRP CCCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)[C@H]1CC[N@H+](C)C1 ZINC000646970979 451977432 /nfs/dbraw/zinc/97/74/32/451977432.db2.gz AANLZNRDTWVAME-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)CN2CCCC[C@@H]([NH3+])C2=O)[NH+](C)C)cc1 ZINC000649302950 451979492 /nfs/dbraw/zinc/97/94/92/451979492.db2.gz IQDOFNJNEYBRFB-IAGOWNOFSA-N 2 0 346.475 1.054 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[NH2+]CCOC1 ZINC000649307793 451984935 /nfs/dbraw/zinc/98/49/35/451984935.db2.gz KVBSAQZUSDQXGV-GOSISDBHSA-N 2 0 331.460 1.251 20 0 EDADRP Cc1ccc([C@H](CNC(=O)[C@H]2C[NH2+]CCOC2)[NH+]2CCCC2)cc1 ZINC000649309886 451987612 /nfs/dbraw/zinc/98/76/12/451987612.db2.gz HVOUITIUMACSHG-ROUUACIJSA-N 2 0 331.460 1.484 20 0 EDADRP CN(C(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CC[NH+](CCc2ccccn2)CC1 ZINC000649311705 451989721 /nfs/dbraw/zinc/98/97/21/451989721.db2.gz GZKXXSADDYZMIB-QFBILLFUSA-N 2 0 344.503 1.922 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000649311366 451989964 /nfs/dbraw/zinc/98/99/64/451989964.db2.gz KWIFHMKZAJPODE-BBRMVZONSA-N 2 0 332.448 1.890 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000646990021 451990110 /nfs/dbraw/zinc/99/01/10/451990110.db2.gz GFNUJKIARNDALX-QGZVFWFLSA-N 2 0 325.416 1.341 20 0 EDADRP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000649313818 451993237 /nfs/dbraw/zinc/99/32/37/451993237.db2.gz YPQHQOFRNQLNGY-NUEKZKHPSA-N 2 0 344.459 1.320 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC[C@H]1[NH3+] ZINC000647009926 452003140 /nfs/dbraw/zinc/00/31/40/452003140.db2.gz KUIBGPLGDCELAH-KZNAEPCWSA-N 2 0 330.476 1.879 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@]2(N)CC[N@H+](C)C2)CC1 ZINC000649323652 452003272 /nfs/dbraw/zinc/00/32/72/452003272.db2.gz MFOHWDXONRZZAJ-DNVCBOLYSA-N 2 0 330.476 1.361 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cnnn1-c1ccccc1)N1CC[NH+](C)CC1 ZINC000651674232 452006400 /nfs/dbraw/zinc/00/64/00/452006400.db2.gz HLUSKSMPAIHRGH-IBGZPJMESA-N 2 0 342.491 1.629 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)CN1CCCC[C@@H]([NH3+])C1=O ZINC000649343246 452022916 /nfs/dbraw/zinc/02/29/16/452022916.db2.gz RLILYZUGIDUCRL-OAHLLOKOSA-N 2 0 332.448 1.335 20 0 EDADRP COC[C@]1(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC[NH2+]1 ZINC000649346470 452029260 /nfs/dbraw/zinc/02/92/60/452029260.db2.gz JMRIGGNNBMSCFE-RDJZCZTQSA-N 2 0 339.867 1.828 20 0 EDADRP Cc1ccc(C[NH+]2CC[C@H](NC(=O)N3CCC[N@@H+](C)CC3)C2)cc1 ZINC000637723869 452047937 /nfs/dbraw/zinc/04/79/37/452047937.db2.gz SROZYSVPRDGGHW-SFHVURJKSA-N 2 0 330.476 1.916 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000649377113 452050155 /nfs/dbraw/zinc/05/01/55/452050155.db2.gz NRHHIHTWRJXDNK-QGZVFWFLSA-N 2 0 346.475 1.525 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000643204624 452067907 /nfs/dbraw/zinc/06/79/07/452067907.db2.gz DGRHJFPQJINUFE-ZACQAIPSSA-N 2 0 340.512 1.347 20 0 EDADRP C[N@@H+]1CCC[C@H](NC(=O)N2C[C@@H]3CC[NH+](Cc4ccccc4)[C@@H]3C2)C1 ZINC000644940549 452076277 /nfs/dbraw/zinc/07/62/77/452076277.db2.gz HPQYYMLQUICRAR-GBESFXJTSA-N 2 0 342.487 1.997 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000649417907 452079332 /nfs/dbraw/zinc/07/93/32/452079332.db2.gz NVGTZNROTSXQAD-IAGOWNOFSA-N 3 0 348.535 1.441 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)CC1 ZINC000649417987 452080721 /nfs/dbraw/zinc/08/07/21/452080721.db2.gz SZZPVPDOHLHLBZ-IRXDYDNUSA-N 3 0 336.524 1.299 20 0 EDADRP [NH3+]C1(CNC(=O)c2nnn([C@H]3CC[NH2+]C3)c2C(F)F)CCCCC1 ZINC000637801889 452090654 /nfs/dbraw/zinc/09/06/54/452090654.db2.gz TXGTWGWKJPVJPA-JTQLQIEISA-N 2 0 342.394 1.142 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647192183 452117677 /nfs/dbraw/zinc/11/76/77/452117677.db2.gz UNMNDMZNSJOLLF-UHFFFAOYSA-N 2 0 329.448 1.592 20 0 EDADRP O[C@@]1(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)CCN(Cc2ccccc2)C1 ZINC000639784172 452126055 /nfs/dbraw/zinc/12/60/55/452126055.db2.gz KDCGFAVSQPYWNW-RBUKOAKNSA-N 2 0 341.459 1.237 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC(C)(C)[C@]2(O)CCOC2)cc1 ZINC000647246889 452144018 /nfs/dbraw/zinc/14/40/18/452144018.db2.gz SPRGXVBEIJYOMA-IBGZPJMESA-N 2 0 336.476 1.894 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CN1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000649610693 452165978 /nfs/dbraw/zinc/16/59/78/452165978.db2.gz YOCBHLADYUAKPX-RTWAWAEBSA-N 2 0 342.531 1.973 20 0 EDADRP CN(CCN1CC[NH+](Cc2ccccc2)CC1)C[C@H]1CCC[N@@H+]1C ZINC000649610470 452166096 /nfs/dbraw/zinc/16/60/96/452166096.db2.gz TUJNFRNZFJBDIR-HXUWFJFHSA-N 2 0 330.520 1.830 20 0 EDADRP CCCN(C(=O)NCCCC[NH+]1CCOCC1)[C@H]1CC[N@H+](C)C1 ZINC000645165734 452188638 /nfs/dbraw/zinc/18/86/38/452188638.db2.gz PTYGPDYTASORRO-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[N@H+](C)C(C)(C)C2)c1 ZINC000641750075 452236390 /nfs/dbraw/zinc/23/63/90/452236390.db2.gz HGWPKDDYCMAWGH-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCC2(COC)CC[NH2+]CC2)[C@@H](C)C1 ZINC000641757944 452239967 /nfs/dbraw/zinc/23/99/67/452239967.db2.gz MOJHMFDMZTXZFF-JKSUJKDBSA-N 2 0 340.512 1.374 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000641773236 452245863 /nfs/dbraw/zinc/24/58/63/452245863.db2.gz XCAHFQDBJLLOMQ-QGZVFWFLSA-N 2 0 337.464 1.567 20 0 EDADRP CS(=O)(=O)N1CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000643488906 452257446 /nfs/dbraw/zinc/25/74/46/452257446.db2.gz KVNMTGJDJXAUIG-YYIAUSFCSA-N 2 0 343.537 1.701 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659426452 452268928 /nfs/dbraw/zinc/26/89/28/452268928.db2.gz WVXFSSMWXAHVLG-CSLYMUCUSA-N 2 0 332.448 1.858 20 0 EDADRP C[C@H](CCc1ccc(OC(F)F)cc1)[NH2+]CC(=O)N1CC[NH2+]CC1 ZINC000643500053 452269704 /nfs/dbraw/zinc/26/97/04/452269704.db2.gz REXOKCUSTHRYSW-CYBMUJFWSA-N 2 0 341.402 1.631 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1C[C@@H]1CCOc2ccccc21 ZINC000647539467 452270296 /nfs/dbraw/zinc/27/02/96/452270296.db2.gz DWDKAIHYRFMQIO-JKSUJKDBSA-N 2 0 331.460 1.872 20 0 EDADRP COCC1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC[NH2+]CC1 ZINC000643531244 452295505 /nfs/dbraw/zinc/29/55/05/452295505.db2.gz DFADITZGSYYUPP-FXAWDEMLSA-N 3 0 345.487 1.848 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000643533804 452297408 /nfs/dbraw/zinc/29/74/08/452297408.db2.gz FDXVDPFQSOCPLN-CZUORRHYSA-N 2 0 337.489 1.730 20 0 EDADRP COC[C@]1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCCC[NH2+]1 ZINC000638050485 452320407 /nfs/dbraw/zinc/32/04/07/452320407.db2.gz OPHTXVMXIWEISZ-MJGOQNOKSA-N 2 0 349.475 1.573 20 0 EDADRP C[C@H](OCC1CC1)C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000643606710 452332479 /nfs/dbraw/zinc/33/24/79/452332479.db2.gz FJWCBVZDSFTCOW-INIZCTEOSA-N 2 0 345.487 1.911 20 0 EDADRP CO[C@@H](C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1)C1CCOCC1 ZINC000638054511 452338435 /nfs/dbraw/zinc/33/84/35/452338435.db2.gz DWBNOJOWFFLCID-MSOLQXFVSA-N 2 0 325.497 1.140 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CC3CC2(C[NH3+])C3)CC[N@@H+]1Cc1ccccc1 ZINC000659492569 452355410 /nfs/dbraw/zinc/35/54/10/452355410.db2.gz GKZHLBSFCNRRCY-HCMQPCSISA-N 2 0 328.460 1.782 20 0 EDADRP [NH3+]C[C@]1(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)CCCOC1 ZINC000638062870 452357960 /nfs/dbraw/zinc/35/79/60/452357960.db2.gz JFNAZZULEPAFJO-HXUWFJFHSA-N 2 0 345.487 1.565 20 0 EDADRP COCCn1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cn1 ZINC000657595888 452364101 /nfs/dbraw/zinc/36/41/01/452364101.db2.gz SIPFRJMDOJDVIG-LJQANCHMSA-N 2 0 344.459 1.386 20 0 EDADRP [NH3+]Cc1ncc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cn1 ZINC000638069157 452374424 /nfs/dbraw/zinc/37/44/24/452374424.db2.gz IEUBSRLFTVYQCZ-KRWDZBQOSA-N 2 0 339.443 1.892 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659513147 452378290 /nfs/dbraw/zinc/37/82/90/452378290.db2.gz GMCPCHWANTXIGJ-HNNXBMFYSA-N 2 0 338.496 1.176 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000638072479 452381505 /nfs/dbraw/zinc/38/15/05/452381505.db2.gz SOFRJURNTWPJEI-ZIFCJYIRSA-N 2 0 331.460 1.534 20 0 EDADRP [NH3+]C1CCC(NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000659519198 452382225 /nfs/dbraw/zinc/38/22/25/452382225.db2.gz PBRKCYUDCKDHMD-BHUNQDJPSA-N 2 0 334.439 1.840 20 0 EDADRP COC[C@]1(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)CCCC[NH2+]1 ZINC000638081619 452397778 /nfs/dbraw/zinc/39/77/78/452397778.db2.gz AZOSQDYIJBNRQM-YJBOKZPZSA-N 2 0 325.497 1.772 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638081299 452399296 /nfs/dbraw/zinc/39/92/96/452399296.db2.gz WZWSYJBRODXYQY-QUCCMNQESA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000659542782 452402086 /nfs/dbraw/zinc/40/20/86/452402086.db2.gz NNNIOHJJBRFKBE-PBHICJAKSA-N 2 0 338.496 1.175 20 0 EDADRP [NH3+]CC[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C(F)F ZINC000659548337 452406581 /nfs/dbraw/zinc/40/65/81/452406581.db2.gz GSWIXFWITJERBT-MGPQQGTHSA-N 2 0 344.381 1.553 20 0 EDADRP O=C(NCCC1CC[NH2+]CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659562289 452418407 /nfs/dbraw/zinc/41/84/07/452418407.db2.gz ZVJCCFUEOWMDTK-ROUUACIJSA-N 2 0 348.466 1.960 20 0 EDADRP CC(C)C[C@@H](C[NH+](C)C)NC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000663692772 452430082 /nfs/dbraw/zinc/43/00/82/452430082.db2.gz IKZDOFAHBCNNPD-IRXDYDNUSA-N 2 0 342.528 1.715 20 0 EDADRP C[N@@H+]1CC[C@H]2CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)[C@@H]2C1 ZINC000659578543 452433854 /nfs/dbraw/zinc/43/38/54/452433854.db2.gz DKZNHKLWNYJWGX-WJFTUGDTSA-N 2 0 342.487 1.868 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659589422 452446438 /nfs/dbraw/zinc/44/64/38/452446438.db2.gz QBJJJPDNGSTSNP-OJIPUDJLSA-N 2 0 332.423 1.404 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)COC3CC[NH2+]CC3)cc2)CC1 ZINC000645483830 452453314 /nfs/dbraw/zinc/45/33/14/452453314.db2.gz ZAONVBYUQPLAQL-UHFFFAOYSA-N 2 0 346.475 1.141 20 0 EDADRP Cc1nccn1CCCN(C)c1cc(N2CCC(C)(O)CC2)ncn1 ZINC000663734182 452467899 /nfs/dbraw/zinc/46/78/99/452467899.db2.gz JQXHULMCYWHVAL-UHFFFAOYSA-N 2 0 344.463 1.859 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)N[C@H](CF)c2ccc(F)cc2)CC1 ZINC000640152051 452469150 /nfs/dbraw/zinc/46/91/50/452469150.db2.gz BHXQAIWHYUJYOR-XJKSGUPXSA-N 2 0 325.403 1.979 20 0 EDADRP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616096 452473330 /nfs/dbraw/zinc/47/33/30/452473330.db2.gz JAZWBQNXVWAMQF-PGYGNJIDSA-N 2 0 342.487 1.902 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COCC[NH3+])cc2)C1 ZINC000645527011 452496477 /nfs/dbraw/zinc/49/64/77/452496477.db2.gz SBKHAHCPFMMCAE-IYBDPMFKSA-N 2 0 333.476 1.756 20 0 EDADRP CN(C(=O)C[N@@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000652345574 452520741 /nfs/dbraw/zinc/52/07/41/452520741.db2.gz GBYOZTZOECNFTI-LZLYRXPVSA-N 2 0 337.508 1.996 20 0 EDADRP CCO[C@@H]1C[N@H+](CCC(=O)N2CCc3sccc3C2)C[C@H]1C[NH3+] ZINC000652357031 452534289 /nfs/dbraw/zinc/53/42/89/452534289.db2.gz XPYDSZLLSREDKL-HUUCEWRRSA-N 2 0 337.489 1.319 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc2c1cc[nH]c2=O ZINC000640227316 452535105 /nfs/dbraw/zinc/53/51/05/452535105.db2.gz AMPWLPOIXRCTPD-UHFFFAOYSA-N 2 0 345.447 1.898 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363571 452545770 /nfs/dbraw/zinc/54/57/70/452545770.db2.gz IFBPJFGDEJVHNR-RMMWZPCPSA-N 3 0 347.503 1.278 20 0 EDADRP C[NH+](C)CCCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@]3(C)C2)C1=O ZINC000666123827 452620166 /nfs/dbraw/zinc/62/01/66/452620166.db2.gz OACUKYDAOLVELC-PPLBCVRQSA-N 2 0 333.476 1.434 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901955 452643803 /nfs/dbraw/zinc/64/38/03/452643803.db2.gz XUZJVSNWKUZUAK-RDJZCZTQSA-N 2 0 344.459 1.578 20 0 EDADRP Cn1cc(N2CCC[C@H]([NH2+]C3CC[NH+](CC(C)(C)O)CC3)C2)cn1 ZINC000647909571 452649254 /nfs/dbraw/zinc/64/92/54/452649254.db2.gz YINCLNFOJFQSKR-INIZCTEOSA-N 2 0 335.496 1.214 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000666184139 452668005 /nfs/dbraw/zinc/66/80/05/452668005.db2.gz WXZOJJLRHPNJSC-OAHLLOKOSA-N 2 0 336.484 1.687 20 0 EDADRP C[C@H](Cn1cncn1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000658007495 452680169 /nfs/dbraw/zinc/68/01/69/452680169.db2.gz UQJCGKJFFHWPET-OAHLLOKOSA-N 2 0 329.448 1.929 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1 ZINC000655958757 452738914 /nfs/dbraw/zinc/73/89/14/452738914.db2.gz OPFWBZFGXITVKT-HZPDHXFCSA-N 2 0 330.432 1.217 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654660023 452774879 /nfs/dbraw/zinc/77/48/79/452774879.db2.gz OLHLSRWIFUBLRV-OWCLPIDISA-N 2 0 326.485 1.079 20 0 EDADRP CC1(C)CN(C(=O)NCCCCC[NH+]2CCCC2)CC[N@@H+]1CCO ZINC000656007123 452795612 /nfs/dbraw/zinc/79/56/12/452795612.db2.gz JFVISUQAKXMBJS-UHFFFAOYSA-N 2 0 340.512 1.351 20 0 EDADRP Cn1ccnc1CN(C(=O)CC1(C[NH3+])CC1)[C@H]1CC12CC[NH2+]CC2 ZINC000648118667 452836065 /nfs/dbraw/zinc/83/60/65/452836065.db2.gz KPSSCLDCVZCGBA-AWEZNQCLSA-N 2 0 331.464 1.020 20 0 EDADRP O=C(N1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C1(n2cccn2)CC[NH2+]CC1 ZINC000648143274 452855902 /nfs/dbraw/zinc/85/59/02/452855902.db2.gz MQFFGVRSHWWPQO-IRXDYDNUSA-N 2 0 345.491 1.200 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2Cc2ccccc2)C[C@H](C)[N@H+]1C ZINC000662143365 452879730 /nfs/dbraw/zinc/87/97/30/452879730.db2.gz QJORMPDFCWDJBX-JZXOWHBKSA-N 2 0 330.476 1.995 20 0 EDADRP C[C@H](CCNC(=O)NCC1([NH+](C)C)Cc2ccccc2C1)[NH+](C)C ZINC000664211449 452885114 /nfs/dbraw/zinc/88/51/14/452885114.db2.gz OJKBOJAFBYCCIT-OAHLLOKOSA-N 2 0 332.492 1.725 20 0 EDADRP C[NH+]1CCN(C[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)c2ccccc2)CC1 ZINC000645903483 452888858 /nfs/dbraw/zinc/88/88/58/452888858.db2.gz GCPBOXKBRVGVLW-FUHWJXTLSA-N 2 0 330.476 1.091 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)CC[C@@H]2CCC[NH2+]2)c2ccccc2)CC1 ZINC000645904318 452889323 /nfs/dbraw/zinc/88/93/23/452889323.db2.gz WWMPBDBEYAELET-OALUTQOASA-N 2 0 344.503 1.624 20 0 EDADRP Cn1cc([C@@H]2CN(C(=O)[C@@H]([NH3+])c3cccc(Cl)c3)C[C@H]2[NH3+])cn1 ZINC000648180503 452892090 /nfs/dbraw/zinc/89/20/90/452892090.db2.gz FNMWAGRRMAGSDI-ZNMIVQPWSA-N 2 0 333.823 1.027 20 0 EDADRP Cn1cc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c([C@@H]2CCC[NH2+]C2)n1 ZINC000648187122 452897768 /nfs/dbraw/zinc/89/77/68/452897768.db2.gz KVOXGIOVLQQRBG-KGLIPLIRSA-N 2 0 331.464 1.292 20 0 EDADRP CN(CCC[NH+](C)C)CCNc1nc(C(F)(F)F)nc2nc[nH]c21 ZINC000664247487 452926909 /nfs/dbraw/zinc/92/69/09/452926909.db2.gz OMDWLVIZVWTECS-UHFFFAOYSA-N 2 0 345.373 1.619 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3-n3cncn3)C2)C1 ZINC000650706843 452945576 /nfs/dbraw/zinc/94/55/76/452945576.db2.gz UGFHQVSOLSAYRD-SCTDSRPQSA-N 2 0 341.459 1.986 20 0 EDADRP COCCCn1nccc1C[N@@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708370 452945682 /nfs/dbraw/zinc/94/56/82/452945682.db2.gz YUSWIQXIWFUNMC-XYJFISCASA-N 2 0 336.480 1.638 20 0 EDADRP C[C@@H]1CCCN(C(=O)C2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)C1 ZINC000662251878 452979128 /nfs/dbraw/zinc/97/91/28/452979128.db2.gz IDRWFZVOGXMTER-NVXWUHKLSA-N 2 0 335.492 1.478 20 0 EDADRP COCCOCC[N@@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258862 452988405 /nfs/dbraw/zinc/98/84/05/452988405.db2.gz MXADHWYUBFZFDV-GOSISDBHSA-N 2 0 334.460 1.673 20 0 EDADRP CC(C)CCOCCNC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290939 453014992 /nfs/dbraw/zinc/01/49/92/453014992.db2.gz AGSHUWUISURLBW-GOSISDBHSA-N 2 0 339.524 1.877 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000646023945 453020611 /nfs/dbraw/zinc/02/06/11/453020611.db2.gz FEIATEZXOVSVJB-ICSRJNTNSA-N 2 0 347.503 1.985 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3c(cccc3C(N)=O)C2)CC1 ZINC000662298592 453020573 /nfs/dbraw/zinc/02/05/73/453020573.db2.gz OODOIOOHFHDUHG-UHFFFAOYSA-N 2 0 344.503 1.560 20 0 EDADRP C[C@@H]1CCC[N@H+](C[C@H]2CCCN(S(C)(=O)=O)C2)[C@@H]1CCC[NH3+] ZINC000662315781 453032970 /nfs/dbraw/zinc/03/29/70/453032970.db2.gz VAFRXIWEVWESNW-BZUAXINKSA-N 2 0 331.526 1.497 20 0 EDADRP CN(CC[N@H+](C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O)C1CC[NH+](C)CC1 ZINC000660139420 453070117 /nfs/dbraw/zinc/07/01/17/453070117.db2.gz VHOJHENOQOXKEB-BPQIPLTHSA-N 2 0 336.524 1.392 20 0 EDADRP COc1cccc2c1CC[C@@H]2NC(=O)NCCN(C)CCC[NH+](C)C ZINC000664428083 453086179 /nfs/dbraw/zinc/08/61/79/453086179.db2.gz HURAJRCKUZWJQJ-KRWDZBQOSA-N 2 0 348.491 1.865 20 0 EDADRP COc1cccc(NC(=O)CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106278 453108891 /nfs/dbraw/zinc/10/88/91/453108891.db2.gz YYZYITYAUDDWCN-UHFFFAOYSA-N 2 0 347.459 1.820 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000666770488 453133092 /nfs/dbraw/zinc/13/30/92/453133092.db2.gz CSKNONQEWOKFLF-MRXNPFEDSA-N 2 0 344.459 1.335 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662428541 453134895 /nfs/dbraw/zinc/13/48/95/453134895.db2.gz FMLFGYPSIAYTEO-CABCVRRESA-N 2 0 333.480 1.871 20 0 EDADRP CC[C@H]([NH2+]C)C(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000662433579 453141653 /nfs/dbraw/zinc/14/16/53/453141653.db2.gz KSSFBKQSNYEPBW-BBRMVZONSA-N 2 0 336.455 1.753 20 0 EDADRP [NH3+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000666832371 453178403 /nfs/dbraw/zinc/17/84/03/453178403.db2.gz YLAFICNLCUCQLF-INIZCTEOSA-N 2 0 344.459 1.418 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CC[NH2+]C1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000662474310 453187906 /nfs/dbraw/zinc/18/79/06/453187906.db2.gz YALFVIQWYQJXSQ-OAHLLOKOSA-N 2 0 331.464 1.435 20 0 EDADRP [NH3+][C@@H](Cc1cn(CCC[NH+]2CCSCC2)nn1)Cc1ccccc1 ZINC000656450098 453193049 /nfs/dbraw/zinc/19/30/49/453193049.db2.gz LSKAPWJMAGSKIO-QGZVFWFLSA-N 2 0 345.516 1.830 20 0 EDADRP [NH3+][C@H](c1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@H]1CCCO1 ZINC000656468777 453205729 /nfs/dbraw/zinc/20/57/29/453205729.db2.gz SHNVEGOQWDVPGA-BHIYHBOVSA-N 2 0 341.459 1.979 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000646223320 453234859 /nfs/dbraw/zinc/23/48/59/453234859.db2.gz GJRYVRAFUBEXOA-LJQANCHMSA-N 2 0 345.487 1.859 20 0 EDADRP C[C@H](NC(=O)NC1CC[NH+](Cc2ccccn2)CC1)c1nccn1C ZINC000660353332 453241126 /nfs/dbraw/zinc/24/11/26/453241126.db2.gz IESBXGKTLGJVCF-AWEZNQCLSA-N 2 0 342.447 1.840 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)N(CC[NH+](C)C)Cc2ccccn2)C1 ZINC000666926556 453252758 /nfs/dbraw/zinc/25/27/58/453252758.db2.gz SROLMDXLQNDXGU-KRWDZBQOSA-N 2 0 333.480 1.639 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)C(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000662554853 453284407 /nfs/dbraw/zinc/28/44/07/453284407.db2.gz WVZKREOPOSQVOR-UHFFFAOYSA-N 2 0 328.416 1.743 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000666978308 453298242 /nfs/dbraw/zinc/29/82/42/453298242.db2.gz WJVBGVXJAPNMOI-SJORKVTESA-N 2 0 338.496 1.364 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)CC2)c1 ZINC000653117497 453305756 /nfs/dbraw/zinc/30/57/56/453305756.db2.gz NQHLOJNHJCFXRC-HZPDHXFCSA-N 2 0 330.432 1.269 20 0 EDADRP CN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000653117766 453307093 /nfs/dbraw/zinc/30/70/93/453307093.db2.gz VMJXYSITMIRAHN-SFHVURJKSA-N 2 0 332.492 1.388 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C[N@@H+]1Cc1ccccc1 ZINC000653122341 453312430 /nfs/dbraw/zinc/31/24/30/453312430.db2.gz UFWUDDOHOLGGGD-XZKMEQPCSA-N 2 0 329.444 1.002 20 0 EDADRP COC1CC[NH+](CCNC(=O)NCCC[N@H+](C)CC(C)C)CC1 ZINC000651192957 453342949 /nfs/dbraw/zinc/34/29/49/453342949.db2.gz GXGQKBPUHNSZEB-UHFFFAOYSA-N 2 0 328.501 1.374 20 0 EDADRP O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)[C@H]1CCC[NH2+]CC1 ZINC000653156272 453347683 /nfs/dbraw/zinc/34/76/83/453347683.db2.gz WSBRCTWNWZIBNP-OALUTQOASA-N 2 0 345.487 1.783 20 0 EDADRP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653168461 453360253 /nfs/dbraw/zinc/36/02/53/453360253.db2.gz BLDNMXXFCNJUOO-GOSISDBHSA-N 2 0 347.507 1.426 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1CC[N@@H+]1Cc1ccccc1 ZINC000664732791 453360994 /nfs/dbraw/zinc/36/09/94/453360994.db2.gz ZZWVDISNTHUADS-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000662658213 453370605 /nfs/dbraw/zinc/37/06/05/453370605.db2.gz CFSIYYHNHXKZJY-QZTJIDSGSA-N 2 0 331.460 1.140 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653182296 453371831 /nfs/dbraw/zinc/37/18/31/453371831.db2.gz PZIJGPQZTMKBJZ-VBQJREDUSA-N 2 0 332.448 1.506 20 0 EDADRP CC[N@H+](CCCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1CCCCC1 ZINC000653200443 453392812 /nfs/dbraw/zinc/39/28/12/453392812.db2.gz FFBBXMQNWZGMKJ-ALOPSCKCSA-N 2 0 349.519 1.962 20 0 EDADRP C[N@H+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CCCCC1 ZINC000662680864 453399455 /nfs/dbraw/zinc/39/94/55/453399455.db2.gz MRMAIMBSYPDPON-MRXNPFEDSA-N 2 0 348.495 1.587 20 0 EDADRP [NH3+]C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000662699387 453420498 /nfs/dbraw/zinc/42/04/98/453420498.db2.gz QDVMLOISKKZFLA-IMJJTQAJSA-N 2 0 337.489 1.440 20 0 EDADRP C[C@H](NC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C1CC[NH+](C)CC1 ZINC000662702950 453426449 /nfs/dbraw/zinc/42/64/49/453426449.db2.gz DONQAQBSPQBNDG-DZGCQCFKSA-N 2 0 334.468 1.053 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000662709515 453431536 /nfs/dbraw/zinc/43/15/36/453431536.db2.gz SLXRCDLAQUQZOL-DLBZAZTESA-N 2 0 335.423 1.238 20 0 EDADRP CCO[C@@H]1CN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C[C@H]1C[NH3+] ZINC000653248059 453434395 /nfs/dbraw/zinc/43/43/95/453434395.db2.gz BLFPQPUQKDFENO-IXDOHACOSA-N 2 0 325.497 1.887 20 0 EDADRP Cc1cc(NC(=O)NC[C@@H]2CCCC[NH2+]2)n(C2CC[NH+](C)CC2)n1 ZINC000667176512 453453722 /nfs/dbraw/zinc/45/37/22/453453722.db2.gz OWQYLJJCOITZLJ-AWEZNQCLSA-N 2 0 334.468 1.722 20 0 EDADRP CC(C)C1CCC([NH+]2CCN(C(=O)[C@@H]3CCO[C@@H]3C[NH3+])CC2)CC1 ZINC000662749167 453480629 /nfs/dbraw/zinc/48/06/29/453480629.db2.gz HNSFSHWQBOZROV-OPQOLIRYSA-N 2 0 337.508 1.709 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662778262 453512885 /nfs/dbraw/zinc/51/28/85/453512885.db2.gz ZEKAYDVHBQRDOW-AWEZNQCLSA-N 2 0 331.313 1.952 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662779048 453514865 /nfs/dbraw/zinc/51/48/65/453514865.db2.gz HSSISXAUINSBDA-AWEZNQCLSA-N 2 0 329.322 1.649 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000655445689 453531501 /nfs/dbraw/zinc/53/15/01/453531501.db2.gz ISKDTZBNNGDMGG-QFBILLFUSA-N 2 0 331.460 1.633 20 0 EDADRP O=C([C@@H]1C[C@@]12CCC[NH2+]C2)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000655448976 453537290 /nfs/dbraw/zinc/53/72/90/453537290.db2.gz DPQOLJNDRDNDRU-PKOBYXMFSA-N 2 0 335.492 1.480 20 0 EDADRP O=C(NCC1CC[NH+](C2CC2)CC1)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662810014 453543865 /nfs/dbraw/zinc/54/38/65/453543865.db2.gz LRYQFBVLDBEFBB-INIZCTEOSA-N 2 0 346.479 1.197 20 0 EDADRP OC[C@]1(O)CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656909512 453544320 /nfs/dbraw/zinc/54/43/20/453544320.db2.gz WJHLMGJIFQRMJR-IBGZPJMESA-N 2 0 334.460 1.480 20 0 EDADRP [NH3+][C@@H]1CCCO[C@H]1C1CCN(C(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)CC1 ZINC000662816691 453547665 /nfs/dbraw/zinc/54/76/65/453547665.db2.gz YKEVSFDVCBQQAV-IPYPFGDCSA-N 2 0 349.397 1.273 20 0 EDADRP O=C(C[C@H]1[NH2+]Cc2ccccc21)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000662831795 453557066 /nfs/dbraw/zinc/55/70/66/453557066.db2.gz CFAKFBIFUDADQJ-PKOBYXMFSA-N 2 0 343.471 1.934 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+]([C@H]3CCNC(=O)CC3)CC2)C1 ZINC000660750105 453559798 /nfs/dbraw/zinc/55/97/98/453559798.db2.gz AQLQVVIHELZUTI-FGTMMUONSA-N 2 0 336.524 1.251 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@H+](C1CC1)C1(CO)CCC1)c1ccccc1 ZINC000660773364 453571190 /nfs/dbraw/zinc/57/11/90/453571190.db2.gz WDPZLUHZGSUWHX-SFHVURJKSA-N 2 0 345.487 1.785 20 0 EDADRP CC[C@@]1(C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CCC[NH2+]1 ZINC000662860090 453574825 /nfs/dbraw/zinc/57/48/25/453574825.db2.gz VGHJVTAQFYOYPF-IBGZPJMESA-N 2 0 330.476 1.942 20 0 EDADRP [NH3+]Cc1ccc(C(=O)NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000662860708 453576761 /nfs/dbraw/zinc/57/67/61/453576761.db2.gz UOHSUUZLGJXBHQ-IBGZPJMESA-N 2 0 339.439 1.642 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CC12CC[NH2+]CC2 ZINC000662866007 453578882 /nfs/dbraw/zinc/57/88/82/453578882.db2.gz YWHCLPCULAJRPA-VBQJREDUSA-N 2 0 349.425 1.916 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)c2ccc(C[NH3+])o2)cc1 ZINC000662866827 453579531 /nfs/dbraw/zinc/57/95/31/453579531.db2.gz JMRIAWZNPWITHS-HOTGVXAUSA-N 2 0 329.400 1.622 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000662867289 453579630 /nfs/dbraw/zinc/57/96/30/453579630.db2.gz WTOBRNFKGKKKFW-IFIJOSMWSA-N 2 0 337.414 1.916 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)Nc2ccc([C@@H]3C[NH2+]CCO3)cc2)CC[N@H+]1C ZINC000659038602 453593441 /nfs/dbraw/zinc/59/34/41/453593441.db2.gz TVOJDLRRQSRLDX-KEYYUXOJSA-N 2 0 332.448 1.904 20 0 EDADRP CN(C(=O)[C@@H](C[NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662900952 453595185 /nfs/dbraw/zinc/59/51/85/453595185.db2.gz QQUGVNRMIAGQHL-OALUTQOASA-N 2 0 344.503 1.356 20 0 EDADRP CCN1CCC([N@@H+]2CCCN(C[C@@H](O)C[NH+](C)C(C)C)CC2)CC1 ZINC000660834042 453596013 /nfs/dbraw/zinc/59/60/13/453596013.db2.gz KMYACFQWRQDTGO-IBGZPJMESA-N 2 0 340.556 1.180 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000665232578 453617705 /nfs/dbraw/zinc/61/77/05/453617705.db2.gz PJXQNAMCQTZYGN-QRQLOZEOSA-N 2 0 336.476 1.865 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236409 453619047 /nfs/dbraw/zinc/61/90/47/453619047.db2.gz LZCUQVYRLIMKIN-MNOVXSKESA-N 2 0 327.226 1.043 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H](C)C[C@H]2COCC[NH2+]2)cc1 ZINC000665255038 453626688 /nfs/dbraw/zinc/62/66/88/453626688.db2.gz HINPMGAAKVRLDW-LQJIQPLVSA-N 2 0 347.503 1.887 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000659104257 453637069 /nfs/dbraw/zinc/63/70/69/453637069.db2.gz ZFFIJOKIRUJBBR-INIZCTEOSA-N 2 0 332.448 1.335 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000665363870 453668582 /nfs/dbraw/zinc/66/85/82/453668582.db2.gz DNPFXIMCRHELQL-HNNXBMFYSA-N 2 0 340.512 1.394 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)c3cn(CC[NH3+])nn3)cc2)C1 ZINC000659283923 453699589 /nfs/dbraw/zinc/69/95/89/453699589.db2.gz AXFFTMMKLJLSHY-CQSZACIVSA-N 2 0 342.447 1.721 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657354001 453773410 /nfs/dbraw/zinc/77/34/10/453773410.db2.gz MSNKLVIXKTYZMU-LPHOPBHVSA-N 2 0 333.476 1.580 20 0 EDADRP COc1cccc([C@H](CNC(=O)NCC[C@H](C)[NH+](C)C)[NH+](C)C)c1 ZINC000663443740 453800269 /nfs/dbraw/zinc/80/02/69/453800269.db2.gz HUURSTLNEQIHSZ-YOEHRIQHSA-N 2 0 336.480 1.937 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccccc2NC(C)=O)CC1 ZINC000663503981 453811581 /nfs/dbraw/zinc/81/15/81/453811581.db2.gz OQEYACHSJXBVML-UHFFFAOYSA-N 2 0 346.475 1.725 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000671307932 486651120 /nfs/dbraw/zinc/65/11/20/486651120.db2.gz ZDFUYPBYBPJOFV-IRXDYDNUSA-N 2 0 335.492 1.514 20 0 EDADRP C[NH+](C)CCCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000676166870 486681871 /nfs/dbraw/zinc/68/18/71/486681871.db2.gz FIEGZUNSHHZSON-CVEARBPZSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+](C)CCOc1ccc(C[NH2+]CC2(N3CCOCC3)CC2)cc1 ZINC000683436568 486718317 /nfs/dbraw/zinc/71/83/17/486718317.db2.gz LUZADRUDFKSBPZ-UHFFFAOYSA-N 2 0 333.476 1.581 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCSc2ccc(F)cc2)C1 ZINC000387736722 486815417 /nfs/dbraw/zinc/81/54/17/486815417.db2.gz WEFKGDURTKWPDQ-ZDUSSCGKSA-N 2 0 325.453 1.705 20 0 EDADRP Cc1ccc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c(=O)n1C ZINC000683776421 486815767 /nfs/dbraw/zinc/81/57/67/486815767.db2.gz KYUQBKSPFNYDSY-UHFFFAOYSA-N 2 0 329.444 1.924 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)N1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000683910686 486862074 /nfs/dbraw/zinc/86/20/74/486862074.db2.gz KXNMYDBXFLQARX-HKUYNNGSSA-N 2 0 333.476 1.595 20 0 EDADRP C[N@H+](CCCc1nc(-c2cccs2)no1)CCN1CC[NH2+]CC1 ZINC000320752977 486957860 /nfs/dbraw/zinc/95/78/60/486957860.db2.gz QTVPWOOORZJXSA-UHFFFAOYSA-N 2 0 335.477 1.568 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H](CCO)C1)c1ccccc1 ZINC000681208294 486973300 /nfs/dbraw/zinc/97/33/00/486973300.db2.gz DEYYBQFUCODQPW-WMZOPIPTSA-N 2 0 333.476 1.500 20 0 EDADRP O=C(c1ccc(C[NH+]2CCCC2)cc1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000673512682 487031623 /nfs/dbraw/zinc/03/16/23/487031623.db2.gz MAFLENLQXROBCX-RBUKOAKNSA-N 2 0 343.471 1.564 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCC[NH+]2CCC(OC)CC2)CC1 ZINC000674332080 487238802 /nfs/dbraw/zinc/23/88/02/487238802.db2.gz LWIRSSRVRKSSPI-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CCc1nn(C)cc1CN1CCC([NH+](CCOC)CCOC)CC1 ZINC000685444514 487276931 /nfs/dbraw/zinc/27/69/31/487276931.db2.gz DQAZNZJSZPQTDB-UHFFFAOYSA-N 2 0 338.496 1.542 20 0 EDADRP C[C@@H]([NH2+]CCC1CS(=O)(=O)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000682498896 487377052 /nfs/dbraw/zinc/37/70/52/487377052.db2.gz QIRDXZAXVUNCNM-CQSZACIVSA-N 2 0 340.489 1.712 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2-n2cncn2)CC1 ZINC000675486096 487413132 /nfs/dbraw/zinc/41/31/32/487413132.db2.gz OURLSYBFWCAUKX-UHFFFAOYSA-N 2 0 329.448 1.592 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C3(c4ccccc4)CC[NH2+]CC3)C[C@H]21 ZINC000669513764 485478894 /nfs/dbraw/zinc/47/88/94/485478894.db2.gz FUOUXAZRLKIQOH-CGTJXYLNSA-N 2 0 327.472 1.894 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCO1 ZINC000669545916 485533928 /nfs/dbraw/zinc/53/39/28/485533928.db2.gz YIKPMJQTKYCSHB-PQEBFOHHSA-N 2 0 332.448 1.189 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000669550982 485545562 /nfs/dbraw/zinc/54/55/62/485545562.db2.gz ZPVCTZLCZUKCDL-MRXNPFEDSA-N 2 0 331.464 1.691 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)NC/C=C/C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000669554180 485553209 /nfs/dbraw/zinc/55/32/09/485553209.db2.gz NNOSJIABUXGYMG-QBAOTHAWSA-N 2 0 344.459 1.787 20 0 EDADRP C[C@@H](NC(=O)NCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000669554897 485554405 /nfs/dbraw/zinc/55/44/05/485554405.db2.gz UOBTVUITLIMNMJ-WBVHZDCISA-N 2 0 330.476 1.948 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1)[NH+]1CCCC1 ZINC000669039229 485588900 /nfs/dbraw/zinc/58/89/00/485588900.db2.gz NOUXICYUSOAYJY-PVAVHDDUSA-N 2 0 340.512 1.645 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1)[NH+](C)C ZINC000669583440 485632097 /nfs/dbraw/zinc/63/20/97/485632097.db2.gz BLNIFYFBYLUJFU-ONIAQPFYSA-N 2 0 348.491 1.744 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)cc1 ZINC000668451548 485770598 /nfs/dbraw/zinc/77/05/98/485770598.db2.gz JVEYNBFJKBEMAJ-KRWDZBQOSA-N 2 0 329.448 1.741 20 0 EDADRP Cn1cc([C@@H]([NH2+]CCC(=O)N2CCN(C)CC2)c2ccccc2)cn1 ZINC000282033206 485812437 /nfs/dbraw/zinc/81/24/37/485812437.db2.gz TZNUVGLPUSHHLC-IBGZPJMESA-N 2 0 341.459 1.263 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000236996127 485950131 /nfs/dbraw/zinc/95/01/31/485950131.db2.gz KMEBURLFPIRYHS-KRWDZBQOSA-N 2 0 330.476 1.700 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NCCCC[NH+]2CCC(C)CC2)CCO1 ZINC000669365907 486013452 /nfs/dbraw/zinc/01/34/52/486013452.db2.gz TVGVCQXUDOZKFR-JKSUJKDBSA-N 2 0 326.485 1.256 20 0 EDADRP [NH3+]C1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000669389709 486025816 /nfs/dbraw/zinc/02/58/16/486025816.db2.gz ZZOSMNWDJGAAAM-UHFFFAOYSA-N 2 0 340.537 1.917 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)CC[C@@H]1[NH3+] ZINC000669400977 486065237 /nfs/dbraw/zinc/06/52/37/486065237.db2.gz SUTLCPDNVHTLPP-SQNIBIBYSA-N 2 0 332.492 1.928 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000669418545 486137888 /nfs/dbraw/zinc/13/78/88/486137888.db2.gz YWFMIOXXQAHYSQ-SUMDDJOVSA-N 2 0 342.487 1.827 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000669498377 486274304 /nfs/dbraw/zinc/27/43/04/486274304.db2.gz KAMGEAWHAABFHY-DLBZAZTESA-N 2 0 340.512 1.376 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000669508898 486292067 /nfs/dbraw/zinc/29/20/67/486292067.db2.gz UXYHWLCRMOGHNT-SJLPKXTDSA-N 2 0 325.412 1.698 20 0 EDADRP C[C@@]([NH3+])(C(=O)NCC[NH2+]C1CC1)c1ccc(Br)cc1 ZINC000669510352 486293901 /nfs/dbraw/zinc/29/39/01/486293901.db2.gz MQBJLIDWWOJFMY-AWEZNQCLSA-N 2 0 326.238 1.491 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1C[NH+]2CCN1CCC2)c1ccccc1 ZINC000670406109 486449412 /nfs/dbraw/zinc/44/94/12/486449412.db2.gz GTOVHBIGPABWKY-ZWKOTPCHSA-N 2 0 330.476 1.186 20 0 EDADRP C[C@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000090580008 491199409 /nfs/dbraw/zinc/19/94/09/491199409.db2.gz HJNCTYKZILHIAQ-ZDUSSCGKSA-N 2 0 345.534 1.689 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]2CN2CCOCC2)cc1 ZINC000092217888 491202787 /nfs/dbraw/zinc/20/27/87/491202787.db2.gz NDHZSVLPYNGTPF-LJQANCHMSA-N 2 0 347.503 1.924 20 0 EDADRP [NH3+][C@H]1[C@H]2CC[C@H](C2)[C@@H]1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000178695111 534733111 /nfs/dbraw/zinc/73/31/11/534733111.db2.gz RZMVPYWZFQRVKF-FZCLSBEQSA-N 2 0 328.460 1.536 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000164548934 534812886 /nfs/dbraw/zinc/81/28/86/534812886.db2.gz YBWJVLYIBWZEDG-IBGZPJMESA-N 2 0 345.487 1.844 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)c2[nH]nc3c2C[NH2+]CC3)C1 ZINC000188740209 524882157 /nfs/dbraw/zinc/88/21/57/524882157.db2.gz LCIJOABVHFIXQK-STQMWFEESA-N 2 0 333.480 1.542 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000237133413 536457326 /nfs/dbraw/zinc/45/73/26/536457326.db2.gz UVEYBJPVSFPTJF-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCCC[NH+]2CCCCCC2)C1(C)C ZINC000188032843 527875046 /nfs/dbraw/zinc/87/50/46/527875046.db2.gz CAKLAPNLYWEKFT-CRAIPNDOSA-N 2 0 325.497 1.901 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCc2ccccc2C[NH+](C)C)C1(C)C ZINC000186733507 527877443 /nfs/dbraw/zinc/87/74/43/527877443.db2.gz SDWULZHADOHLQF-VQIMIIECSA-N 2 0 333.476 1.897 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000174989941 528581744 /nfs/dbraw/zinc/58/17/44/528581744.db2.gz YXFDBPLPPNTKMA-QGZVFWFLSA-N 2 0 334.464 1.875 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)CC1 ZINC000129401350 528977466 /nfs/dbraw/zinc/97/74/66/528977466.db2.gz JMQKVDMZNASQSY-DOTOQJQBSA-N 2 0 333.480 1.367 20 0 EDADRP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(S(=O)(=O)NC)cc2)C1 ZINC000247091032 534946045 /nfs/dbraw/zinc/94/60/45/534946045.db2.gz PKQYDIXQEWPQOC-CABCVRRESA-N 2 0 339.505 1.977 20 0 EDADRP CCCC[C@H]([NH3+])C(=O)NCc1ccc(CN2CC[NH+](CC)CC2)cc1 ZINC000236821819 535045449 /nfs/dbraw/zinc/04/54/49/535045449.db2.gz GBOIZOWTGZTESX-IBGZPJMESA-N 2 0 346.519 1.958 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000339618303 535062800 /nfs/dbraw/zinc/06/28/00/535062800.db2.gz HJDNBBLFWDXDBG-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@@H]([NH3+])Cc1cn(Cc2ccccc2)cn1 ZINC000262642205 535537686 /nfs/dbraw/zinc/53/76/86/535537686.db2.gz LKRRBVPTEUENAD-SFHVURJKSA-N 2 0 343.475 1.259 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1OC ZINC000267293281 535553871 /nfs/dbraw/zinc/55/38/71/535553871.db2.gz YKUZDIMONZKQNE-AWEZNQCLSA-N 2 0 337.464 1.769 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](c2nc(C[C@@H](C)[NH2+]C)no2)CC1=O ZINC000261902962 535555328 /nfs/dbraw/zinc/55/53/28/535555328.db2.gz YTDZVUFHKILHFW-MGPQQGTHSA-N 2 0 335.452 1.020 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@@H](C[N@H+](C)CC3CC3)C2)CC1 ZINC000347386658 535679680 /nfs/dbraw/zinc/67/96/80/535679680.db2.gz UJXAOBNOTIMSEO-SFHVURJKSA-N 2 0 336.524 1.204 20 0 EDADRP CC[NH+]1CCN(c2ccccc2NC(=O)NC[C@@H]2CC[N@H+](C)C2)CC1 ZINC000264328124 535755504 /nfs/dbraw/zinc/75/55/04/535755504.db2.gz RWJRXLDJKVYHMF-INIZCTEOSA-N 2 0 345.491 1.902 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@@H]2C[NH+](C)CCN2C)cc1)C1CC1 ZINC000347881162 535782704 /nfs/dbraw/zinc/78/27/04/535782704.db2.gz INBDTUIIDLYYGN-LJQANCHMSA-N 2 0 344.503 1.647 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@H]3CCCC[NH2+]3)ccc2oc1=O ZINC000236991135 535933146 /nfs/dbraw/zinc/93/31/46/535933146.db2.gz SITPPBHIEFFHLH-CYBMUJFWSA-N 2 0 332.404 1.237 20 0 EDADRP C[N@H+](CCC(=O)N1CC[NH2+]CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000262105929 536303506 /nfs/dbraw/zinc/30/35/06/536303506.db2.gz MHKYHQVPXFVGKD-LJQANCHMSA-N 3 0 344.503 1.262 20 0 EDADRP C[NH+](CCCn1ccnc1)CCOCC[N@H+](C)CCCn1ccnc1 ZINC000271696493 536362656 /nfs/dbraw/zinc/36/26/56/536362656.db2.gz MTQCOOHWKWLIQF-UHFFFAOYSA-N 2 0 348.495 1.440 20 0 EDADRP C[N@@H+]1CCC[C@]2(CCN(C(=O)Nc3cnc4c(c3)C[C@@H]([NH3+])CC4)C2)C1 ZINC000333314313 536393272 /nfs/dbraw/zinc/39/32/72/536393272.db2.gz MBORKCPPNMVQRM-KXBFYZLASA-N 2 0 343.475 1.847 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261540648 536657996 /nfs/dbraw/zinc/65/79/96/536657996.db2.gz AIEGXGWLNUEYEO-HKUYNNGSSA-N 2 0 331.460 1.393 20 0 EDADRP COc1cc(C[N@@H+]2CCC[C@@H](C(=O)N3CC[NH2+]CC3)C2)ccc1C ZINC000261753647 536749436 /nfs/dbraw/zinc/74/94/36/536749436.db2.gz CJQNEBHSBLMGPE-QGZVFWFLSA-N 2 0 331.460 1.647 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000247195865 536797788 /nfs/dbraw/zinc/79/77/88/536797788.db2.gz VZRDPUDSRPIFBW-IEBWSBKVSA-N 2 0 334.508 1.850 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC1 ZINC000742243887 579445125 /nfs/dbraw/zinc/44/51/25/579445125.db2.gz ZRJLENVQGXSDAQ-UHFFFAOYSA-N 2 0 345.491 1.014 20 0 EDADRP CCC[C@H]1[C@@H](C)CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743380093 579478383 /nfs/dbraw/zinc/47/83/83/579478383.db2.gz FBWTXCFYPUWRBS-GJZGRUSLSA-N 2 0 336.480 1.861 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H](C)C[NH+](CC)CC)CC[N@@H+]1CCOC ZINC000347065588 578645922 /nfs/dbraw/zinc/64/59/22/578645922.db2.gz IUJBFUKNEUQSSI-SJORKVTESA-N 2 0 342.528 1.859 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=S)NCC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000760483657 580031815 /nfs/dbraw/zinc/03/18/15/580031815.db2.gz BZTYBEGOMXVOMO-HOCLYGCPSA-N 2 0 326.554 1.865 20 0 EDADRP CN(C(=O)NCc1ccnc(-n2ccnc2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000732460701 578713857 /nfs/dbraw/zinc/71/38/57/578713857.db2.gz SNALGYAYOQGYOX-MRXNPFEDSA-N 2 0 340.431 1.645 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734280480 578805031 /nfs/dbraw/zinc/80/50/31/578805031.db2.gz LMSKKZCPFODDRG-NVXWUHKLSA-N 2 0 336.480 1.166 20 0 EDADRP CC[NH+](CC)CCNC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000734264958 578805393 /nfs/dbraw/zinc/80/53/93/578805393.db2.gz OGTMNEFBTFRATN-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP C[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000736759528 579018220 /nfs/dbraw/zinc/01/82/20/579018220.db2.gz UCDZLNLSOXTWMQ-CYBMUJFWSA-N 2 0 343.435 1.079 20 0 EDADRP C[C@@H]1C(=O)N([C@H]2CC[N@@H+](C3CCN(C)CC3)C2)C(=O)N1C1CCC1 ZINC000761302905 580054357 /nfs/dbraw/zinc/05/43/57/580054357.db2.gz LRKNYJJCXFHLFY-CJNGLKHVSA-N 2 0 334.464 1.360 20 0 EDADRP C[C@@H](CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1)[NH+]1CCCCC1 ZINC000745697484 579558410 /nfs/dbraw/zinc/55/84/10/579558410.db2.gz PXFGTWMGZNXLOZ-IRXDYDNUSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Br)nn2C)CC1 ZINC000785417826 580643293 /nfs/dbraw/zinc/64/32/93/580643293.db2.gz MMQHBLWSCNLGBF-GFCCVEGCSA-N 2 0 344.301 1.298 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=S)NC2CC[NH+](C)CC2)CC1 ZINC000747666333 579652869 /nfs/dbraw/zinc/65/28/69/579652869.db2.gz CXARGZWFUPVTPA-UHFFFAOYSA-N 2 0 342.553 1.434 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCN3CCOC3=O)CC2)CC1 ZINC000749460121 579727721 /nfs/dbraw/zinc/72/77/21/579727721.db2.gz KHPKSSIHVCMIFY-UHFFFAOYSA-N 2 0 338.496 1.319 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=S)NC[C@H]1CCOC1 ZINC000749648821 579733547 /nfs/dbraw/zinc/73/35/47/579733547.db2.gz UDYPLFSHLPMZMR-OAHLLOKOSA-N 2 0 330.542 1.103 20 0 EDADRP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000752100055 579838444 /nfs/dbraw/zinc/83/84/44/579838444.db2.gz GIPYWGIRKOHPMH-SFHVURJKSA-N 2 0 337.508 1.966 20 0 EDADRP C[C@@H]1CN(CN2C[C@@H](C3CC3)CC2=O)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000763329937 580097779 /nfs/dbraw/zinc/09/77/79/580097779.db2.gz ALYWUXHVJOWVRH-BPQIPLTHSA-N 2 0 334.508 1.160 20 0 EDADRP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CC4(CC4)C(=O)O3)CC2)CC1 ZINC000763735837 580105372 /nfs/dbraw/zinc/10/53/72/580105372.db2.gz HQPCWMJGKBPDDN-QGZVFWFLSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H]2SCCS[C@@H]12 ZINC000770001398 580250744 /nfs/dbraw/zinc/25/07/44/580250744.db2.gz HMKQYYNEIXXSIC-WCVJEAGWSA-N 2 0 329.579 1.982 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000780947172 580538492 /nfs/dbraw/zinc/53/84/92/580538492.db2.gz SMRJGRMJEZTNIX-BQULAQKPSA-N 2 0 337.508 1.958 20 0 EDADRP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(N2CCNC2=O)cc1 ZINC000786792413 580679407 /nfs/dbraw/zinc/67/94/07/580679407.db2.gz IFCOPAMNKBYVQS-OAHLLOKOSA-N 2 0 334.464 1.835 20 0 EDADRP CSC1(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC[NH+](C)CC1 ZINC000891907690 590683046 /nfs/dbraw/zinc/68/30/46/590683046.db2.gz SRQLKVLSYPKNKX-CZUORRHYSA-N 2 0 326.510 1.398 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000892082083 590789489 /nfs/dbraw/zinc/78/94/89/590789489.db2.gz GUWZDODPTLBXLF-WBVHZDCISA-N 2 0 332.448 1.493 20 0 EDADRP C[C@H]1CN(Cc2c3c(nn2C)CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892151776 590824974 /nfs/dbraw/zinc/82/49/74/590824974.db2.gz BKRVPWIQLCPJKE-MAUKXSAKSA-N 2 0 331.508 1.367 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000892169147 590840747 /nfs/dbraw/zinc/84/07/47/590840747.db2.gz INFKVSKWGXWWLL-HZPDHXFCSA-N 2 0 326.485 1.114 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)c1ccc(F)cc1 ZINC000892173040 590843954 /nfs/dbraw/zinc/84/39/54/590843954.db2.gz QRKMILFKMFOYNA-UXLLHSPISA-N 2 0 334.439 1.631 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N[C@H]1CCCCC12CC[NH2+]CC2 ZINC000892188141 590854592 /nfs/dbraw/zinc/85/45/92/590854592.db2.gz OZSVPGXQWNMNRJ-TWMKSMIVSA-N 2 0 334.508 1.986 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCCC2(C[NH3+])CC2)c1 ZINC000892218259 590870045 /nfs/dbraw/zinc/87/00/45/590870045.db2.gz JCVABXHOKRKOLY-MRXNPFEDSA-N 2 0 332.448 1.480 20 0 EDADRP COc1cccc([C@@H]2C[NH2+]CCN2C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)c1 ZINC000892236499 590880114 /nfs/dbraw/zinc/88/01/14/590880114.db2.gz NXWZUTHQPYLMSK-LESCRADOSA-N 2 0 346.475 1.691 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)CC[C@@H]21 ZINC000892252151 590887680 /nfs/dbraw/zinc/88/76/80/590887680.db2.gz FSPNNENCYRIAIL-MKXGPGLRSA-N 2 0 342.487 1.868 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000892329944 590953244 /nfs/dbraw/zinc/95/32/44/590953244.db2.gz RYWXBUDALJSMQJ-UHFFFAOYSA-N 2 0 330.476 1.863 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N2CC[C@H]3C[NH+](C)C[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000893622469 591015480 /nfs/dbraw/zinc/01/54/80/591015480.db2.gz SQKAOEJHLSSFGO-BVBHFADKSA-N 2 0 342.487 1.995 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)N[C@H]2CC[C@H](C[NH3+])CC2)c1 ZINC000892430691 591025053 /nfs/dbraw/zinc/02/50/53/591025053.db2.gz MAFRFUMAAAUVMW-QGPMSJSTSA-N 2 0 346.475 1.869 20 0 EDADRP C[C@@H](CC[NH+]1CCN(C)CC1)NC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000892491403 591048107 /nfs/dbraw/zinc/04/81/07/591048107.db2.gz JLZSPMXXJIATNQ-JKSUJKDBSA-N 2 0 339.528 1.090 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]1C[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000891346565 591052807 /nfs/dbraw/zinc/05/28/07/591052807.db2.gz CRAQBOVGNJBTBQ-WBAXXEDZSA-N 2 0 330.476 1.860 20 0 EDADRP C[C@H](CNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21)[N@@H+]1CCc2ccccc2C1 ZINC000891446820 591074521 /nfs/dbraw/zinc/07/45/21/591074521.db2.gz RHFJKUKNCGBRFO-ATZDWAIDSA-N 2 0 342.487 1.969 20 0 EDADRP C[C@H](CNC(=O)NCc1cc(N)cc[nH+]1)[N@@H+]1CCc2ccccc2C1 ZINC000891447786 591075279 /nfs/dbraw/zinc/07/52/79/591075279.db2.gz XLLPFMYONRETAK-CQSZACIVSA-N 2 0 339.443 1.910 20 0 EDADRP CCOC(=O)c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000892594103 591086184 /nfs/dbraw/zinc/08/61/84/591086184.db2.gz HIXGYNPTNNGGFI-UHFFFAOYSA-N 2 0 327.450 1.522 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)COC(C)=O)CC1 ZINC000892597796 591087509 /nfs/dbraw/zinc/08/75/09/591087509.db2.gz VIKATNMQFHDMJK-MRXNPFEDSA-N 2 0 333.476 1.865 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[NH+]1CCC(O)CC1)c1cccs1 ZINC000891509147 591098448 /nfs/dbraw/zinc/09/84/48/591098448.db2.gz OUAHJELRVYDBCC-AWEZNQCLSA-N 2 0 340.493 1.107 20 0 EDADRP O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000891513553 591100870 /nfs/dbraw/zinc/10/08/70/591100870.db2.gz DVWIYADFMHLPDL-JZXOWHBKSA-N 2 0 336.480 1.025 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891528764 591108488 /nfs/dbraw/zinc/10/84/88/591108488.db2.gz KQTHXTOTCCJZSR-JKSUJKDBSA-N 2 0 338.496 1.412 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000891537562 591112436 /nfs/dbraw/zinc/11/24/36/591112436.db2.gz KRBFIUURBPTUFV-ZWKOTPCHSA-N 2 0 346.475 1.111 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)CC1 ZINC000891560470 591127149 /nfs/dbraw/zinc/12/71/49/591127149.db2.gz OPWQGQDEFHPOBK-HNNXBMFYSA-N 2 0 337.512 1.068 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H](C)C1 ZINC000891563423 591129529 /nfs/dbraw/zinc/12/95/29/591129529.db2.gz GGJVZTPCLKZRHV-NXOAAHMSSA-N 2 0 338.496 1.269 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC(C)(C)C[NH2+]2)CC1 ZINC000891579859 591133309 /nfs/dbraw/zinc/13/33/09/591133309.db2.gz MUWQOHOTNVVENZ-INIZCTEOSA-N 2 0 339.528 1.091 20 0 EDADRP C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1([NH+]2CCCCC2)CCN(C)CC1 ZINC000891605462 591146917 /nfs/dbraw/zinc/14/69/17/591146917.db2.gz FAGJJGKPEBYSKM-CVEARBPZSA-N 2 0 337.512 1.068 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)CCSC1 ZINC000891639453 591162945 /nfs/dbraw/zinc/16/29/45/591162945.db2.gz RMBBGDNLGVGCSQ-CJNGLKHVSA-N 2 0 328.526 1.501 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)ccn1 ZINC000892760660 591165292 /nfs/dbraw/zinc/16/52/92/591165292.db2.gz WCWSSOQHTJCYCS-SFHVURJKSA-N 2 0 332.448 1.236 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NC[C@@H]2CC3(CO2)CC[NH2+]CC3)C[C@@H]1C ZINC000892768635 591167621 /nfs/dbraw/zinc/16/76/21/591167621.db2.gz LLZNSFZBKDRFPI-JYJNAYRXSA-N 2 0 338.496 1.269 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892789567 591179143 /nfs/dbraw/zinc/17/91/43/591179143.db2.gz QEVKYTLTVIVEPI-GOSISDBHSA-N 2 0 330.476 1.732 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891673389 591179744 /nfs/dbraw/zinc/17/97/44/591179744.db2.gz LSBASWNQQCIHOQ-UPJWGTAASA-N 2 0 336.402 1.639 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC000891694982 591187197 /nfs/dbraw/zinc/18/71/97/591187197.db2.gz VSBAVUHMNSSFCR-BBWFWOEESA-N 2 0 338.496 1.148 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000892880597 591213355 /nfs/dbraw/zinc/21/33/55/591213355.db2.gz HWPVZXNYLGOFPI-OLZOCXBDSA-N 2 0 349.504 1.639 20 0 EDADRP CCNC(=O)CN1CCCN(c2cc(C3CC3)nc(C3CC3)n2)CC1 ZINC000891763876 591215935 /nfs/dbraw/zinc/21/59/35/591215935.db2.gz FDFVMQIKNQPMAE-UHFFFAOYSA-N 2 0 343.475 1.880 20 0 EDADRP Cc1ccnc(N)c1C[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000894183512 591219886 /nfs/dbraw/zinc/21/98/86/591219886.db2.gz VEVQLSVCGOHWRM-UHFFFAOYSA-N 2 0 326.448 1.409 20 0 EDADRP CC[NH+]1CCN(c2nccc(N3CC[N@@H+](CC)[C@H](C)C3)n2)C[C@@H]1C ZINC000892971785 591243175 /nfs/dbraw/zinc/24/31/75/591243175.db2.gz UPXYAXYUMKOXDY-CVEARBPZSA-N 2 0 332.496 1.537 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@H]2CCC3(C[C@H]2F)OCCO3)CC1(C)C ZINC000894253069 591248927 /nfs/dbraw/zinc/24/89/27/591248927.db2.gz FTKGOAPYTALABG-CABCVRRESA-N 2 0 329.460 1.236 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000895851547 591287680 /nfs/dbraw/zinc/28/76/80/591287680.db2.gz ZFROEKIIBZRGBE-MNEFBYGVSA-N 2 0 343.471 1.659 20 0 EDADRP C[NH+](C)Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)c2c1OC(F)(F)O2 ZINC000894358527 591288848 /nfs/dbraw/zinc/28/88/48/591288848.db2.gz GPXAQYNDCMGRPO-OAHLLOKOSA-N 2 0 344.358 1.311 20 0 EDADRP C[NH+]1CCC(C[N@@H+]2CCCC[C@@H]2COC(=O)N[C@H]2CCOC2)CC1 ZINC000894424862 591308490 /nfs/dbraw/zinc/30/84/90/591308490.db2.gz AODAFIFOOUUBBF-DLBZAZTESA-N 2 0 339.480 1.698 20 0 EDADRP COC(=O)c1cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)cs1 ZINC000894482453 591321680 /nfs/dbraw/zinc/32/16/80/591321680.db2.gz FXBCWQHUNFWCOD-CYBMUJFWSA-N 2 0 325.478 1.650 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3C[NH+]([C@@H]4CCOC4)C3)C2)CC1 ZINC000896017252 591324285 /nfs/dbraw/zinc/32/42/85/591324285.db2.gz LAAJUPGTNRGCBU-IEBWSBKVSA-N 2 0 349.519 1.678 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CC[NH+](CC3CCOCC3)CC2)C1 ZINC000897438273 591451391 /nfs/dbraw/zinc/45/13/91/591451391.db2.gz UOJQAIXUBYZYRY-MRXNPFEDSA-N 2 0 338.496 1.082 20 0 EDADRP CN(C)Cc1csc(CNC(=O)N(C)[C@@H]2CCC[N@H+](C)C2)n1 ZINC000896595508 591546234 /nfs/dbraw/zinc/54/62/34/591546234.db2.gz VDHFOHBTNYORRS-CYBMUJFWSA-N 2 0 325.482 1.440 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000897548715 591547720 /nfs/dbraw/zinc/54/77/20/591547720.db2.gz MQSTYIDZCJBVQS-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CCO[C@H](CNC(=O)N1CC[C@H](C[NH+](CC)CC)C1)C[NH+](C)C ZINC000896683774 591573648 /nfs/dbraw/zinc/57/36/48/591573648.db2.gz WLDAFYBXLAAZNU-HZPDHXFCSA-N 2 0 328.501 1.326 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)NC3CCC(C)([NH+]4CCC4)CC3)C[C@]2(C)C1 ZINC000896703793 591581120 /nfs/dbraw/zinc/58/11/20/591581120.db2.gz BTJMOKJAZGUECG-ZJZKXORJSA-N 2 0 334.508 1.987 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)C1 ZINC000896812395 591618343 /nfs/dbraw/zinc/61/83/43/591618343.db2.gz ZLLKHDUBHFQVSE-JKSUJKDBSA-N 2 0 325.497 1.819 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897876958 591702921 /nfs/dbraw/zinc/70/29/21/591702921.db2.gz PAXQJLLIVKJKLC-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000899963520 591841017 /nfs/dbraw/zinc/84/10/17/591841017.db2.gz GWOMMMVONOKXIP-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP COc1cccc([C@@H](CNC(=O)C[C@]2(O)CCC[N@H+](C)C2)[NH+](C)C)c1 ZINC000900012541 591862633 /nfs/dbraw/zinc/86/26/33/591862633.db2.gz BPBCACJGAQNHJB-IEBWSBKVSA-N 2 0 349.475 1.261 20 0 EDADRP CC(C)[NH+]1CCC([NH2+][C@@H]2CCN(c3cn[nH]c(=O)c3Cl)C2)CC1 ZINC000898366402 591892309 /nfs/dbraw/zinc/89/23/09/591892309.db2.gz AZGQLGVZZYFKSM-CYBMUJFWSA-N 2 0 339.871 1.877 20 0 EDADRP CC[NH+](CC)CC1CC[NH+](CN2CC[C@H](CCOC)C2=O)CC1 ZINC000902138887 591919869 /nfs/dbraw/zinc/91/98/69/591919869.db2.gz LRYNDWKCHSYYRP-QGZVFWFLSA-N 2 0 325.497 1.883 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)Cc1ccccc1 ZINC000900174147 591938506 /nfs/dbraw/zinc/93/85/06/591938506.db2.gz QIGKAJCDJCVDST-NSHGMRRFSA-N 2 0 347.503 1.511 20 0 EDADRP C[N@@H+]1CC[C@H]2[C@@H](CCCN2CN2C(=O)[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2=O)C1 ZINC000902197365 591943029 /nfs/dbraw/zinc/94/30/29/591943029.db2.gz WALADONNCPHWJP-VRCAPQLRSA-N 2 0 343.471 1.557 20 0 EDADRP COCC[C@@H]1CCN(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)C1=O ZINC000902197292 591943141 /nfs/dbraw/zinc/94/31/41/591943141.db2.gz TYARZSJVZLPPMH-XYJFISCASA-N 2 0 335.492 1.778 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)C[C@@]2(O)CCC[NH+](C)C2)C1 ZINC000900219600 591947233 /nfs/dbraw/zinc/94/72/33/591947233.db2.gz ZNYZACLSLMFSKW-JZXOWHBKSA-N 2 0 325.497 1.317 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N2CC[NH+](CC3CC3)CC2)CC1 ZINC000900279107 591969037 /nfs/dbraw/zinc/96/90/37/591969037.db2.gz QKEHDEIIDWFDJR-UHFFFAOYSA-N 2 0 336.524 1.347 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+]CCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000902333218 591980132 /nfs/dbraw/zinc/98/01/32/591980132.db2.gz IGUDOTNPBQQHSL-CQSZACIVSA-N 2 0 325.478 1.244 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1)C1([NH3+])CC1 ZINC000902360266 591985895 /nfs/dbraw/zinc/98/58/95/591985895.db2.gz HQYIIEBOQLBJKE-CQSZACIVSA-N 2 0 337.489 1.557 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000902499819 592003245 /nfs/dbraw/zinc/00/32/45/592003245.db2.gz KSQDYOKGDDDYOO-RRIFGTCXSA-N 2 0 331.460 1.599 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)nc[nH]1 ZINC000902500293 592003268 /nfs/dbraw/zinc/00/32/68/592003268.db2.gz LBIZXYJFQQJRTG-HRCADAONSA-N 2 0 331.464 1.519 20 0 EDADRP [NH3+]C[C@@]12CC[C@H]1CCN2c1cc(N2CC[C@H]3CC[C@@]32C[NH3+])ncn1 ZINC000900445942 592029376 /nfs/dbraw/zinc/02/93/76/592029376.db2.gz OLUWNXJGJKUBMD-MHGIMSBQSA-N 2 0 328.464 1.112 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cn2)CC1 ZINC000902736130 592054416 /nfs/dbraw/zinc/05/44/16/592054416.db2.gz DVBZZCPBHXQBDW-OCBLOMHFSA-N 2 0 342.487 1.737 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21)C(=O)NCC[NH+](C)C ZINC000902922803 592085269 /nfs/dbraw/zinc/08/52/69/592085269.db2.gz ZANQKPHIGFFAEQ-KHHDSSOXSA-N 2 0 337.508 1.482 20 0 EDADRP CN(C(=O)C1CCC([NH+]2CCOCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000900665562 592085777 /nfs/dbraw/zinc/08/57/77/592085777.db2.gz PFCDHJBYRHRESR-LEOMRAHMSA-N 2 0 335.492 1.573 20 0 EDADRP C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)C1CCC([NH+]2CCOCC2)CC1 ZINC000900744254 592116020 /nfs/dbraw/zinc/11/60/20/592116020.db2.gz CXYOPAKTYNOIKE-LWSMDNFKSA-N 2 0 349.519 1.963 20 0 EDADRP CN(C)C(=O)[C@H]1CCCN1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC1 ZINC000903085510 592117678 /nfs/dbraw/zinc/11/76/78/592117678.db2.gz DHTCEPURGGHMIZ-ZCTYVAAUSA-N 2 0 348.535 1.677 20 0 EDADRP CN1C(=O)N=NC1C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000903131876 592123899 /nfs/dbraw/zinc/12/38/99/592123899.db2.gz XGZXWYNEVBCKJO-VGWMRTNUSA-N 2 0 333.480 1.838 20 0 EDADRP OC1(C2(C[NH2+]C3CCN(Cc4ccncc4)CC3)CC2)CCOCC1 ZINC000903350217 592157678 /nfs/dbraw/zinc/15/76/78/592157678.db2.gz STMFMYBYIUWYCZ-UHFFFAOYSA-N 2 0 345.487 1.957 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[C@H](O)C[NH+]1C ZINC000900896264 592160319 /nfs/dbraw/zinc/16/03/19/592160319.db2.gz UWAMUYKRFFOPMV-BJLQDIEVSA-N 2 0 345.487 1.422 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C[NH+]2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC000903431042 592168299 /nfs/dbraw/zinc/16/82/99/592168299.db2.gz DXJOCHLMVHRAIM-QWHCGFSZSA-N 2 0 343.518 1.618 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1C)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000903458518 592171269 /nfs/dbraw/zinc/17/12/69/592171269.db2.gz BWNCXEBAXKRTQN-NFAWXSAZSA-N 2 0 325.478 1.443 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)N2CCO[C@@H](c3ccc(F)cc3)C2)C[C@H]1CC[NH3+] ZINC000903496789 592187678 /nfs/dbraw/zinc/18/76/78/592187678.db2.gz DVQBXZFHFHJQIT-QGPMSJSTSA-N 2 0 349.450 1.642 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)NC1CCC([NH+]2CCCCC2)CC1 ZINC000900979762 592188006 /nfs/dbraw/zinc/18/80/06/592188006.db2.gz YIRZFELKRMDERI-UHFFFAOYSA-N 2 0 347.507 1.972 20 0 EDADRP O=C(CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1)NC1CCCCC1 ZINC000903511060 592190573 /nfs/dbraw/zinc/19/05/73/592190573.db2.gz MYOFFUSZXVJCJF-HDICACEKSA-N 2 0 334.508 1.336 20 0 EDADRP C[C@@H](c1nc(C2CC2)no1)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903510096 592190716 /nfs/dbraw/zinc/19/07/16/592190716.db2.gz OFONZKRXCMYBGX-VBNZEHGJSA-N 2 0 331.464 1.909 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906647758 592233129 /nfs/dbraw/zinc/23/31/29/592233129.db2.gz BBYBVCNEBCSGKU-UHFFFAOYSA-N 2 0 334.464 1.712 20 0 EDADRP [NH3+]CCN1CCC([NH2+]C[C@@H](c2ccccc2)N2CCOCC2)CC1 ZINC000904361179 592238151 /nfs/dbraw/zinc/23/81/51/592238151.db2.gz XBXNNFIHQWVTGN-IBGZPJMESA-N 2 0 332.492 1.073 20 0 EDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cncn3)cc1)CC2 ZINC000904392686 592243008 /nfs/dbraw/zinc/24/30/08/592243008.db2.gz XKKWPNGQMJTWKX-QGZVFWFLSA-N 2 0 327.432 1.597 20 0 EDADRP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(-n3cncn3)c(F)c1)CC2 ZINC000904389709 592243102 /nfs/dbraw/zinc/24/31/02/592243102.db2.gz RQRUGCKRFZBIFI-OAHLLOKOSA-N 2 0 345.422 1.736 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)C(=O)Nc2ccccc2C[NH3+])C1 ZINC000906665714 592248164 /nfs/dbraw/zinc/24/81/64/592248164.db2.gz DEDMCGIMSHBNKA-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP CNc1nc(C)ccc1C(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000907989240 592250661 /nfs/dbraw/zinc/25/06/61/592250661.db2.gz HWPZQGJJMKIXNH-HNNXBMFYSA-N 2 0 332.448 1.759 20 0 EDADRP [NH3+]CC[C@@H]1CC[N@H+](Cc2ccccc2OCC(=O)NCC2CC2)C1 ZINC000904406471 592250794 /nfs/dbraw/zinc/25/07/94/592250794.db2.gz WFWHXYZFJLGSIO-MRXNPFEDSA-N 2 0 331.460 1.762 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2ccccc2C[NH3+])CC1 ZINC000906683369 592264619 /nfs/dbraw/zinc/26/46/19/592264619.db2.gz WFWTZUFJEZYQAE-UHFFFAOYSA-N 2 0 346.475 1.711 20 0 EDADRP CCCCN(C)C(=O)C1CC[NH+](C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)CC1 ZINC000903722400 592283969 /nfs/dbraw/zinc/28/39/69/592283969.db2.gz LVUKSVOZPDZYFL-PKOBYXMFSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1 ZINC000903724182 592284098 /nfs/dbraw/zinc/28/40/98/592284098.db2.gz LSHJZSKFFCPGPP-AZUAARDMSA-N 2 0 343.471 1.779 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC[N@@H+]2CCC(C)(C)C2)cc1 ZINC000908082963 592291303 /nfs/dbraw/zinc/29/13/03/592291303.db2.gz KNXQWVFYONWDJA-UHFFFAOYSA-N 2 0 339.505 1.758 20 0 EDADRP C[N@H+](CCCCOc1ccc(Br)cc1)C[C@@H](O)C[NH3+] ZINC000903752776 592296502 /nfs/dbraw/zinc/29/65/02/592296502.db2.gz WXYXGYOHELINSY-ZDUSSCGKSA-N 2 0 331.254 1.860 20 0 EDADRP COC(=O)CC[N@@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1CCCO1 ZINC000903753782 592296591 /nfs/dbraw/zinc/29/65/91/592296591.db2.gz YDCNMFTUJWECBW-JKSUJKDBSA-N 2 0 340.464 1.189 20 0 EDADRP C[NH+](C)CCOc1cc(-c2noc([C@@H]3C[C@@H]4OCC[C@H]4[NH2+]3)n2)ccn1 ZINC000904625451 592298692 /nfs/dbraw/zinc/29/86/92/592298692.db2.gz BWEIYDDAGUZYKJ-RDBSUJKOSA-N 2 0 345.403 1.264 20 0 EDADRP CC[C@@H]1C[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)[C@H](CC)CN1C(C)=O ZINC000903735204 592298708 /nfs/dbraw/zinc/29/87/08/592298708.db2.gz YLMCPGCCTCNZFO-KURKYZTESA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C)nc(C[N@@H+]2CCC[C@H](CNC(=O)[C@H]3CCC[NH2+]3)C2)c1 ZINC000903740272 592303231 /nfs/dbraw/zinc/30/32/31/592303231.db2.gz FQSYVHJLUHFRCC-SJLPKXTDSA-N 2 0 330.476 1.779 20 0 EDADRP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3C[C@@]4(CC[NH2+]C4)CO3)C2)n1 ZINC000903742004 592304806 /nfs/dbraw/zinc/30/48/06/592304806.db2.gz UJUJHCSSXONNJB-JENIJYKNSA-N 2 0 330.476 1.892 20 0 EDADRP Cc1cnc(OC2CC[NH+](C[C@@H]3CC4(CO3)CC[NH2+]CC4)CC2)nc1 ZINC000903766643 592310056 /nfs/dbraw/zinc/31/00/56/592310056.db2.gz BLBTYLQTZKHTNR-KRWDZBQOSA-N 2 0 346.475 1.787 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](C[C@@H](O)COC[C@@H]2CCCO2)CC1 ZINC000903792947 592315722 /nfs/dbraw/zinc/31/57/22/592315722.db2.gz KHUKDJOISCRATN-MOPGFXCFSA-N 2 0 348.487 1.535 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)C[C@H](C)O1 ZINC000903794010 592317216 /nfs/dbraw/zinc/31/72/16/592317216.db2.gz MVDSLUKUZXDXCE-IRXDYDNUSA-N 2 0 345.487 1.615 20 0 EDADRP [NH3+]CC1(c2ccccc2)CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000903793969 592317262 /nfs/dbraw/zinc/31/72/62/592317262.db2.gz LLGXHQTUOOWUQW-UHFFFAOYSA-N 2 0 331.460 1.228 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C[NH3+])(c3ccccc3)CC2)CCO1 ZINC000903794207 592317536 /nfs/dbraw/zinc/31/75/36/592317536.db2.gz POYWDOHIGRQZFE-INIZCTEOSA-N 2 0 331.460 1.226 20 0 EDADRP O=C(N[C@@H]1CCC[C@@H](O)C1)[C@@H]1CCC[N@H+](C[C@H]2CCCC[NH2+]C2)C1 ZINC000903780801 592320182 /nfs/dbraw/zinc/32/01/82/592320182.db2.gz LVMRXLNUTHNDDI-BSDSXHPESA-N 2 0 337.508 1.508 20 0 EDADRP C[NH+]1CCN(Cc2ccccc2-c2cnc3n2C[C@H]([NH3+])CC3)CC1 ZINC000904804627 592328699 /nfs/dbraw/zinc/32/86/99/592328699.db2.gz DWYOFGBBPSADOQ-MRXNPFEDSA-N 2 0 325.460 1.571 20 0 EDADRP COC(=O)CCN1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)[C@H](C)C1 ZINC000901320522 592339389 /nfs/dbraw/zinc/33/93/89/592339389.db2.gz DGRMROUGITZJKA-OAGGEKHMSA-N 2 0 337.464 1.099 20 0 EDADRP CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cnnn2[C@@H]2CCC[NH2+]C2)C1 ZINC000903898734 592369125 /nfs/dbraw/zinc/36/91/25/592369125.db2.gz OETCBUBLKZYBRY-HZPDHXFCSA-N 2 0 349.479 1.758 20 0 EDADRP CCC1CCC([N@H+](CCO)Cc2cnnn2[C@H]2CCC[NH2+]C2)CC1 ZINC000903912503 592375894 /nfs/dbraw/zinc/37/58/94/592375894.db2.gz FYUMUQNUWSEECR-JCYILVPMSA-N 2 0 335.496 1.966 20 0 EDADRP C[C@H](COc1cccc(F)c1)[NH2+]Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903920266 592377296 /nfs/dbraw/zinc/37/72/96/592377296.db2.gz HYLYWZZFJBWDAL-HIFRSBDPSA-N 2 0 333.411 1.899 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C[C@@H](O)C2(O)CCOCC2)C1 ZINC000905048091 592378446 /nfs/dbraw/zinc/37/84/46/592378446.db2.gz WYQJNCDYUIIGLK-IXDOHACOSA-N 2 0 328.497 1.237 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000903932170 592383587 /nfs/dbraw/zinc/38/35/87/592383587.db2.gz NLRBROXQLUXBHA-IAGOWNOFSA-N 3 0 332.496 1.414 20 0 EDADRP COc1cccc2c1OCC[C@@H]2[NH2+]C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903932748 592384862 /nfs/dbraw/zinc/38/48/62/592384862.db2.gz VJWUWZYAVQHCPP-YOEHRIQHSA-N 2 0 344.459 1.968 20 0 EDADRP c1nnc2ccc(N3CC[C@H]([NH2+]Cc4cccc5c4CC[NH2+]C5)C3)nn12 ZINC000903933885 592385714 /nfs/dbraw/zinc/38/57/14/592385714.db2.gz AAWASEMPIYGDEO-INIZCTEOSA-N 2 0 349.442 1.139 20 0 EDADRP [NH3+]Cc1cn(-c2cccc(C[NH2+]Cc3cccc4c3CC[NH2+]C4)c2)nn1 ZINC000903938089 592387183 /nfs/dbraw/zinc/38/71/83/592387183.db2.gz ZKDZROQUKCZREC-UHFFFAOYSA-N 3 0 348.454 1.662 20 0 EDADRP C[C@@H](c1ccccc1)N1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000903937743 592387300 /nfs/dbraw/zinc/38/73/00/592387300.db2.gz QNTSSBUCRHHLAI-ROUUACIJSA-N 2 0 344.503 1.563 20 0 EDADRP CCN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cn1 ZINC000903980534 592400538 /nfs/dbraw/zinc/40/05/38/592400538.db2.gz UIBBHKCBVSTOAF-KDURUIRLSA-N 2 0 343.519 1.938 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000908287557 592426270 /nfs/dbraw/zinc/42/62/70/592426270.db2.gz MERXKLFFNIHVLF-QGZVFWFLSA-N 2 0 326.529 1.638 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC000908317356 592430438 /nfs/dbraw/zinc/43/04/38/592430438.db2.gz XZUGZDGYWVUZOI-SOLBZPMBSA-N 2 0 335.492 1.715 20 0 EDADRP CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000905140229 592433482 /nfs/dbraw/zinc/43/34/82/592433482.db2.gz UBZUAEUUUDPIIT-MUQADHOPSA-N 2 0 326.481 1.933 20 0 EDADRP OCC1(C[C@H](O)C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCC1 ZINC000905176003 592455737 /nfs/dbraw/zinc/45/57/37/592455737.db2.gz PLFCHYBARRBDLH-KSZLIROESA-N 2 0 340.508 1.258 20 0 EDADRP O[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)CC1(O)CCCC1 ZINC000905202255 592462951 /nfs/dbraw/zinc/46/29/51/592462951.db2.gz GNWXDXUFNXMEET-OALUTQOASA-N 2 0 348.487 1.399 20 0 EDADRP C[NH+](C)[C@@H](CNS(=O)(=O)CC1CC[NH2+]CC1)Cc1ccccc1 ZINC000905331057 592508044 /nfs/dbraw/zinc/50/80/44/592508044.db2.gz HVOCTWOVTWYLLG-QGZVFWFLSA-N 2 0 339.505 1.078 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC000908495243 592509054 /nfs/dbraw/zinc/50/90/54/592509054.db2.gz FFYZPOVPEOTXFS-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP [NH3+]CCC[C@@H](NS(=O)(=O)CC1CC[NH2+]CC1)c1ccccc1 ZINC000905343079 592512644 /nfs/dbraw/zinc/51/26/44/592512644.db2.gz GGOLDVWJBASTEJ-MRXNPFEDSA-N 2 0 325.478 1.386 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C1 ZINC000907166766 592531960 /nfs/dbraw/zinc/53/19/60/592531960.db2.gz MHKWCPCBOCSWOS-KRWDZBQOSA-N 2 0 348.491 1.760 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)[C@@H]1C(C)C ZINC000905501448 592546310 /nfs/dbraw/zinc/54/63/10/592546310.db2.gz GFDUCNDFKMXPGO-JKEDJMADSA-N 2 0 342.524 1.622 20 0 EDADRP O[C@@]1(C[NH2+]CC2CC3(C2)OCCO3)CCN(Cc2ccccc2)C1 ZINC000905595005 592586192 /nfs/dbraw/zinc/58/61/92/592586192.db2.gz WUZXGMUBSNYQQJ-GOSISDBHSA-N 2 0 332.444 1.366 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)N(C)CC[N@H+](C)C3CC3)co2)C1 ZINC000907447573 592660091 /nfs/dbraw/zinc/66/00/91/592660091.db2.gz HWCWNXGBEFQVRP-AWEZNQCLSA-N 2 0 336.436 1.062 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]C[C@@H](O)CC2(O)CCCCC2)CC1 ZINC000905904369 592674608 /nfs/dbraw/zinc/67/46/08/592674608.db2.gz BKUWXDSIXZBGOZ-KRWDZBQOSA-N 2 0 327.513 1.050 20 0 EDADRP [NH3+]C[C@@H]1Cc2ccccc2N(C(=O)C2(n3cccn3)CC[NH2+]CC2)C1 ZINC000906219616 592760327 /nfs/dbraw/zinc/76/03/27/592760327.db2.gz SMTPCYUNJLYBCJ-HNNXBMFYSA-N 2 0 339.443 1.126 20 0 EDADRP CN1CCO[C@H](C(=O)N[C@H]2c3ccccc3CC[C@H]2[NH+]2CCCC2)C1 ZINC000911569407 592950797 /nfs/dbraw/zinc/95/07/97/592950797.db2.gz RZYYZCIEVPQPLJ-QYZOEREBSA-N 2 0 343.471 1.585 20 0 EDADRP C[C@H](CNC(=O)N1CCC(OCC[NH+](C)C)CC1)[NH+]1CCCCC1 ZINC000734273748 592959042 /nfs/dbraw/zinc/95/90/42/592959042.db2.gz LBUILRFNJAXQTK-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1)C(C)C ZINC000911230678 592970663 /nfs/dbraw/zinc/97/06/63/592970663.db2.gz QIYJYPIYEVLDFQ-MRXNPFEDSA-N 2 0 340.512 1.260 20 0 EDADRP C[NH2+]CCCNC(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1 ZINC000911678228 592980324 /nfs/dbraw/zinc/98/03/24/592980324.db2.gz YVOCMIXXORMDPP-ZDUSSCGKSA-N 2 0 328.254 1.435 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1C)Cc1ccccc1 ZINC000911702150 592990366 /nfs/dbraw/zinc/99/03/66/592990366.db2.gz JNCPDMWPTSDUSK-MSOLQXFVSA-N 2 0 332.492 1.943 20 0 EDADRP CN(C(=O)C[C@@H]([NH3+])Cc1ccc(Br)cc1)[C@@H]1CC[NH2+]C1 ZINC000911786472 593008220 /nfs/dbraw/zinc/00/82/20/593008220.db2.gz BUPJSGLPPUIDEG-UONOGXRCSA-N 2 0 340.265 1.529 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000911811194 593015518 /nfs/dbraw/zinc/01/55/18/593015518.db2.gz RHMCXMZFMIQGIE-FHLIZLRMSA-N 2 0 329.444 1.818 20 0 EDADRP C[C@@H]1CN(C(=O)CCc2ccc(OCC[NH+](C)C)cc2)CC[C@H]1[NH3+] ZINC000911823382 593017019 /nfs/dbraw/zinc/01/70/19/593017019.db2.gz YKPAMUUMMNODER-CRAIPNDOSA-N 2 0 333.476 1.755 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000810434206 593401669 /nfs/dbraw/zinc/40/16/69/593401669.db2.gz WHBHXEHAZYSOOW-YJBOKZPZSA-N 2 0 343.487 1.768 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(N2CCCC2=O)cc1 ZINC000817935610 593650273 /nfs/dbraw/zinc/65/02/73/593650273.db2.gz KBGQIKSFABMXLK-MRXNPFEDSA-N 2 0 330.476 1.759 20 0 EDADRP C[C@@H](C[NH2+]C[C@H](O)c1ccccc1Cl)CN1CC[NH+](C)CC1 ZINC000819058094 593736449 /nfs/dbraw/zinc/73/64/49/593736449.db2.gz FFNSXXURPWCFKL-YOEHRIQHSA-N 2 0 325.884 1.847 20 0 EDADRP CC(C)[C@@H](C[NH2+]C[C@H](O)c1ccc(F)c(F)c1)N1CC[NH+](C)CC1 ZINC000819061666 593736567 /nfs/dbraw/zinc/73/65/67/593736567.db2.gz MEJPQMFZKISLQK-MSOLQXFVSA-N 2 0 341.446 1.860 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H](O)CN(C)Cc1ccccc1)CC1(C)OCCO1 ZINC000819097134 593738737 /nfs/dbraw/zinc/73/87/37/593738737.db2.gz XPPPGCBBYTXBCI-SJLPKXTDSA-N 2 0 336.476 1.858 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)c1cnnn1C ZINC000820810147 593895154 /nfs/dbraw/zinc/89/51/54/593895154.db2.gz PYKWONRLMZAJEX-CQSZACIVSA-N 2 0 329.448 1.623 20 0 EDADRP C[C@@H]([NH2+]C[C@H]1CCN(S(C)(=O)=O)C1)c1cccc(C[NH+](C)C)c1 ZINC000820829851 593899647 /nfs/dbraw/zinc/89/96/47/593899647.db2.gz NBNSWIUEMVWESQ-GDBMZVCRSA-N 2 0 339.505 1.680 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(CCOc2ccc(-c3nn[nH]n3)cc2)C1 ZINC000821087929 593962319 /nfs/dbraw/zinc/96/23/19/593962319.db2.gz HXSIOBKPHWOYEQ-HNNXBMFYSA-N 2 0 344.463 1.909 20 0 EDADRP Cc1cc(C)c(-c2nn[nH]n2)c(N2C[C@@H](C)[C@@H](N3CCOCC3)C2)n1 ZINC000822191076 594005869 /nfs/dbraw/zinc/00/58/69/594005869.db2.gz FPNQBOCSTTVMDQ-OCCSQVGLSA-N 2 0 343.435 1.035 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CCN(C(=O)C[NH+]3CCCC3)C2)ccn1 ZINC000824796403 594075971 /nfs/dbraw/zinc/07/59/71/594075971.db2.gz CDOISQFSCSPBSU-SFHVURJKSA-N 2 0 346.475 1.609 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1c1nc(-c2ccnc(OCC[NH+](C)C)c2)no1 ZINC000822861191 594112904 /nfs/dbraw/zinc/11/29/04/594112904.db2.gz BGQRHHQAWBJNFP-KBPBESRZSA-N 2 0 331.420 1.928 20 0 EDADRP C[C@@H]([NH2+]CCN1CCC(O)CC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000825111560 594131472 /nfs/dbraw/zinc/13/14/72/594131472.db2.gz OJWPWDVSCXUGHB-XLIONFOSSA-N 2 0 347.503 1.322 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(-c3nn[nH]n3)cc2)CC1 ZINC000825459503 594188333 /nfs/dbraw/zinc/18/83/33/594188333.db2.gz LZBZJPMBVYDZAS-OAHLLOKOSA-N 2 0 343.479 1.545 20 0 EDADRP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc(-c2nn[nH]n2)n1 ZINC000826515647 594514180 /nfs/dbraw/zinc/51/41/80/594514180.db2.gz GHSMQOCESQLMRO-UHFFFAOYSA-N 2 0 327.436 1.570 20 0 EDADRP C[NH+](C)C1(C(=O)NCC2([N@H+](C)Cc3ccccc3)CCOCC2)CC1 ZINC000831594529 594686158 /nfs/dbraw/zinc/68/61/58/594686158.db2.gz BPESJVMRZRWOTE-UHFFFAOYSA-N 2 0 345.487 1.878 20 0 EDADRP CC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000832234096 594737178 /nfs/dbraw/zinc/73/71/78/594737178.db2.gz DRSHQPUBQBEJIZ-KRWDZBQOSA-N 2 0 334.508 1.243 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3C)cc2)CC1 ZINC000841017926 594839797 /nfs/dbraw/zinc/83/97/97/594839797.db2.gz LKRWJLDFVCAGOK-CRAIPNDOSA-N 2 0 345.491 1.948 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841017547 594839956 /nfs/dbraw/zinc/83/99/56/594839956.db2.gz FWEMEXPVYFSBCJ-KRWDZBQOSA-N 2 0 331.464 1.654 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)NC[C@H]3CC[N@H+](C)C3)cc2)CC1 ZINC000836226604 594940410 /nfs/dbraw/zinc/94/04/10/594940410.db2.gz HSUZBLOYZJUGMN-MRXNPFEDSA-N 2 0 345.491 1.902 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1cccc(C(=O)OC2CC[NH2+]CC2)c1 ZINC000841846930 594964445 /nfs/dbraw/zinc/96/44/45/594964445.db2.gz DFPSWJRDAGKOOW-SJORKVTESA-N 2 0 345.443 1.922 20 0 EDADRP CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000841847862 594964884 /nfs/dbraw/zinc/96/48/84/594964884.db2.gz WMWWTEMDRFSEQV-IAGOWNOFSA-N 2 0 345.443 1.922 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)NC[C@H]1C[NH2+]CCCO1 ZINC000841849823 594965049 /nfs/dbraw/zinc/96/50/49/594965049.db2.gz LXHIPDNRITZBNL-QGZVFWFLSA-N 2 0 340.512 1.710 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cccn2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000841850837 594965084 /nfs/dbraw/zinc/96/50/84/594965084.db2.gz FOTPSGOCTVXBEG-ZWKOTPCHSA-N 2 0 338.455 1.980 20 0 EDADRP C[C@@]1(CNC(=O)N2CCO[C@H](C[NH3+])C2)CC[N@H+](Cc2ccccc2)C1 ZINC000841898612 594976841 /nfs/dbraw/zinc/97/68/41/594976841.db2.gz OZZOGCRNYIGNHJ-MJGOQNOKSA-N 2 0 346.475 1.268 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000841924859 594982721 /nfs/dbraw/zinc/98/27/21/594982721.db2.gz FVMJGASCGIKCMF-GOSISDBHSA-N 2 0 330.476 1.958 20 0 EDADRP C[NH2+]CCN(C)C(=O)C(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000842175748 595029021 /nfs/dbraw/zinc/02/90/21/595029021.db2.gz WBAYLQUDYIZSSV-KRWDZBQOSA-N 2 0 346.475 1.008 20 0 EDADRP CC[NH+]1CCN(c2ccc(-c3noc(C[NH2+]CC4CC4)n3)cn2)CC1 ZINC000843208258 595036001 /nfs/dbraw/zinc/03/60/01/595036001.db2.gz SHEXYUOIWUDDRF-UHFFFAOYSA-N 2 0 342.447 1.773 20 0 EDADRP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NC(=O)C(=O)NCCCCCC[NH3+] ZINC000843258887 595055156 /nfs/dbraw/zinc/05/51/56/595055156.db2.gz DBXVQYZSFNSGIA-OAGGEKHMSA-N 2 0 340.512 1.104 20 0 EDADRP [NH3+]CCCCCCNC(=O)C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000843258821 595055164 /nfs/dbraw/zinc/05/51/64/595055164.db2.gz GQYXBZTWBVDDLW-KRWDZBQOSA-N 2 0 346.475 1.012 20 0 EDADRP OCCCN1CCC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000843085996 595283319 /nfs/dbraw/zinc/28/33/19/595283319.db2.gz FFWLECNYIZXXAS-CZUORRHYSA-N 2 0 330.831 1.949 20 0 EDADRP CCS(=O)(=O)CC[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000843096993 595286913 /nfs/dbraw/zinc/28/69/13/595286913.db2.gz VNGHUGBYFZQGSV-KRWDZBQOSA-N 2 0 340.489 1.168 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C[C@H]([NH3+])C2CC2)cc1 ZINC000844166275 595289020 /nfs/dbraw/zinc/28/90/20/595289020.db2.gz BXWQHFZSIRRCFA-KRWDZBQOSA-N 2 0 346.475 1.824 20 0 EDADRP [NH3+][C@H](CC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000844172360 595290986 /nfs/dbraw/zinc/29/09/86/595290986.db2.gz VVVAFEXKTDGIGU-QZTJIDSGSA-N 2 0 331.460 1.836 20 0 EDADRP [NH3+]C[C@@H](C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1)c1ccc(F)cc1 ZINC000844172080 595291021 /nfs/dbraw/zinc/29/10/21/595291021.db2.gz VHISJHCLGYCOKV-QZTJIDSGSA-N 2 0 349.450 1.628 20 0 EDADRP COC[C@]1(C(=O)N(C)c2ccc(OCC[NH+](C)C)cc2)CC[NH2+]C1 ZINC000844183373 595294780 /nfs/dbraw/zinc/29/47/80/595294780.db2.gz ZNCCTXIQRLJGKR-SFHVURJKSA-N 2 0 335.448 1.216 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000846665676 595295834 /nfs/dbraw/zinc/29/58/34/595295834.db2.gz JBUHITIPUVZBIY-CQSZACIVSA-N 2 0 345.443 1.924 20 0 EDADRP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000847178736 595372121 /nfs/dbraw/zinc/37/21/21/595372121.db2.gz SQZRJTBLUMCQML-BSXFFOKHSA-N 2 0 343.487 1.813 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1 ZINC000844954349 595419631 /nfs/dbraw/zinc/41/96/31/595419631.db2.gz PSLAMZOXBTXHRJ-JKSUJKDBSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=[NH2+])Nc3ccccn3)cn2)CC1 ZINC000849062872 595476919 /nfs/dbraw/zinc/47/69/19/595476919.db2.gz YQUZXYUORPWETJ-UHFFFAOYSA-N 2 0 339.447 1.755 20 0 EDADRP O=C1[C@@H]([NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)CCN1C1CCOCC1 ZINC000852754282 595526974 /nfs/dbraw/zinc/52/69/74/595526974.db2.gz SATMZWGZHXGIIY-WMZOPIPTSA-N 2 0 335.492 1.478 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849482655 595546542 /nfs/dbraw/zinc/54/65/42/595546542.db2.gz SFUGCXRXJNPCOK-ZWKOTPCHSA-N 2 0 349.523 1.692 20 0 EDADRP CC[NH+](CC)CCNC(=O)[C@H]1CC[N@@H+](C(C)C)C[C@H]1c1cnn(C)c1 ZINC000849482654 595546743 /nfs/dbraw/zinc/54/67/43/595546743.db2.gz SFUGCXRXJNPCOK-ROUUACIJSA-N 2 0 349.523 1.692 20 0 EDADRP Cn1cc([C@H]2C[N@H+](C)CC[C@@H]2C(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)cn1 ZINC000849500242 595551819 /nfs/dbraw/zinc/55/18/19/595551819.db2.gz OXIVCWNXCJHPRN-BSDSXHPESA-N 2 0 345.491 1.198 20 0 EDADRP CN(CC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C)C[C@@H]1c1cnn(C)c1 ZINC000849521663 595558165 /nfs/dbraw/zinc/55/81/65/595558165.db2.gz USWLBGAOKIWAKP-IAGOWNOFSA-N 2 0 333.480 1.010 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C1 ZINC000849577366 595579061 /nfs/dbraw/zinc/57/90/61/595579061.db2.gz HWNIAZAEQIJSBN-BZSNNMDCSA-N 2 0 347.507 1.444 20 0 EDADRP [NH3+]C[C@H]1CC(C(=O)NCc2ccccc2C[NH+]2CCCCC2)=NO1 ZINC000852857344 595579128 /nfs/dbraw/zinc/57/91/28/595579128.db2.gz QBLSSTUAILUXQF-MRXNPFEDSA-N 2 0 330.432 1.392 20 0 EDADRP CN(C(=O)C1=NO[C@@H](C[NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000852859984 595580929 /nfs/dbraw/zinc/58/09/29/595580929.db2.gz GTEUJOPQIXLOGA-JKSUJKDBSA-N 2 0 330.432 1.213 20 0 EDADRP C[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852872516 595591254 /nfs/dbraw/zinc/59/12/54/595591254.db2.gz OUPZPJGRHSIILU-GOEBONIOSA-N 2 0 330.432 1.213 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H](O)c3ccccn3)cn2)CC1 ZINC000853099847 595664117 /nfs/dbraw/zinc/66/41/17/595664117.db2.gz VAJQJSPBXQMBIZ-GOSISDBHSA-N 2 0 341.459 1.442 20 0 EDADRP Cn1c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cnc1Cl ZINC000850357305 595817114 /nfs/dbraw/zinc/81/71/14/595817114.db2.gz FDRTWPSKUKKANB-MRXNPFEDSA-N 2 0 334.851 1.930 20 0 EDADRP CCN(C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@H+](C)C1 ZINC000853741867 595869173 /nfs/dbraw/zinc/86/91/73/595869173.db2.gz QUJOYURBLHBHJJ-IRXDYDNUSA-N 2 0 338.496 1.365 20 0 EDADRP CC(C)NC(=O)NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C[NH+](C)C)cc1 ZINC000859214929 596006219 /nfs/dbraw/zinc/00/62/19/596006219.db2.gz VIHHQMXFDBLGRK-CQSZACIVSA-N 2 0 334.464 1.803 20 0 EDADRP CC(C)[C@H](C)[N@H+]1Cc2cccc(NC(=O)C(=O)N(C)C[C@@H](C)[NH3+])c2C1 ZINC000861540628 596020824 /nfs/dbraw/zinc/02/08/24/596020824.db2.gz OZZIODLQDROPDT-KGLIPLIRSA-N 2 0 346.475 1.791 20 0 EDADRP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCc3ccnn3C)C2)ccn1 ZINC000856585023 596024096 /nfs/dbraw/zinc/02/40/96/596024096.db2.gz XKTLHCOLDMRQED-IBGZPJMESA-N 2 0 343.475 1.963 20 0 EDADRP Cc1ccc([C@H](CNC(=O)C(=O)N(C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000861746152 596086839 /nfs/dbraw/zinc/08/68/39/596086839.db2.gz CTFJCTWMDHQURF-WBVHZDCISA-N 2 0 346.475 1.054 20 0 EDADRP CC(=O)N1CC[C@H](NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c2ccccc21 ZINC000857075698 596152960 /nfs/dbraw/zinc/15/29/60/596152960.db2.gz GGTIPJXWPVWWMI-NUJGCVRESA-N 2 0 329.444 1.937 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)c2cccc([C@@H]3CCC[N@H+](C)C3)c2)CC1 ZINC000857138809 596167565 /nfs/dbraw/zinc/16/75/65/596167565.db2.gz VMAOMYXRCPOLHF-GOSISDBHSA-N 2 0 345.487 1.682 20 0 EDADRP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCCN2CC[NH+](C)CC2)n(C)n1 ZINC000852658623 596221270 /nfs/dbraw/zinc/22/12/70/596221270.db2.gz ZZNZWPPVOKMPIG-IEBWSBKVSA-N 2 0 333.524 1.667 20 0 EDADRP O=C(CC[NH+]1CCC(c2nc(C3CCC3)no2)CC1)N1CC[NH2+]CC1 ZINC000866704717 596301356 /nfs/dbraw/zinc/30/13/56/596301356.db2.gz WXTPOUVTYIJITF-UHFFFAOYSA-N 2 0 347.463 1.338 20 0 EDADRP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](N3C(=O)O[C@H]4C[NH2+]C[C@H]43)C2)c1 ZINC000866709608 596304199 /nfs/dbraw/zinc/30/41/99/596304199.db2.gz LHPBUSPCXUMRJL-ZACQAIPSSA-N 2 0 344.415 1.012 20 0 EDADRP O=C1O[C@@H]2C[NH2+]C[C@@H]2N1[C@H]1CC[N@H+](Cc2ccc3c(c2)COC3)C1 ZINC000866711481 596304969 /nfs/dbraw/zinc/30/49/69/596304969.db2.gz LOURYPNSIXRXRG-YESZJQIVSA-N 2 0 329.400 1.084 20 0 EDADRP O=C1OC[C@@H]2C[N@H+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@H]12 ZINC000862545176 596343585 /nfs/dbraw/zinc/34/35/85/596343585.db2.gz JMNOMYUDCMUIBG-WMZOPIPTSA-N 2 0 330.428 1.766 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)CC[NH2+]CC3CC3)nc2)CC1 ZINC000870907976 596398573 /nfs/dbraw/zinc/39/85/73/596398573.db2.gz RZMZSRFXUQMEIY-UHFFFAOYSA-N 2 0 345.491 1.940 20 0 EDADRP O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1csc(C2CC[NH2+]CC2)n1 ZINC000870919750 596404761 /nfs/dbraw/zinc/40/47/61/596404761.db2.gz GHFCKJBIXHVGKB-LBPRGKRZSA-N 2 0 334.489 1.824 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])CC2)cc1 ZINC000870922604 596406660 /nfs/dbraw/zinc/40/66/60/596406660.db2.gz JYCTZKZVJMIONU-CALCHBBNSA-N 2 0 346.475 1.112 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])CC2)CC1 ZINC000870924446 596407873 /nfs/dbraw/zinc/40/78/73/596407873.db2.gz YMQXLBKKVCTSKP-XLAORIBOSA-N 2 0 336.524 1.521 20 0 EDADRP [NH3+]C[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870934151 596411318 /nfs/dbraw/zinc/41/13/18/596411318.db2.gz GVZAYAZHIPPWNX-MFKMUULPSA-N 2 0 326.238 1.646 20 0 EDADRP C[NH2+]C1CCN(C(=O)[C@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870936261 596412141 /nfs/dbraw/zinc/41/21/41/596412141.db2.gz FJEZTEKGPLPNOE-CYBMUJFWSA-N 2 0 326.238 1.659 20 0 EDADRP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]([NH3+])c1cccc(Br)c1 ZINC000870957025 596417971 /nfs/dbraw/zinc/41/79/71/596417971.db2.gz UIWNUYASWZDURQ-CHWSQXEVSA-N 2 0 328.254 1.939 20 0 EDADRP CN1CC[NH+](C2CCN(C(=O)[C@H]3CCCCCC[C@H]3[NH3+])CC2)CC1 ZINC000870982218 596429195 /nfs/dbraw/zinc/42/91/95/596429195.db2.gz YLBSGQKHCOLJBO-ZWKOTPCHSA-N 2 0 336.524 1.523 20 0 EDADRP C[C@@H](CNC(=O)[C@H](C[NH+](C)C)NC(=O)OC(C)(C)C)[NH+]1CCCC1 ZINC000865176089 596500581 /nfs/dbraw/zinc/50/05/81/596500581.db2.gz LXWRFCALSHOGLM-KBPBESRZSA-N 2 0 342.484 1.042 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)cc1 ZINC000867810321 596562866 /nfs/dbraw/zinc/56/28/66/596562866.db2.gz YLYARSGUBZRPMP-WBVHZDCISA-N 2 0 337.489 1.463 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C/C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000863503650 596602671 /nfs/dbraw/zinc/60/26/71/596602671.db2.gz KVVBPNPFSWRMNR-YRYLYKBFSA-N 2 0 331.460 1.851 20 0 EDADRP Cc1ccc(CC[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)cc1 ZINC000863549887 596615405 /nfs/dbraw/zinc/61/54/05/596615405.db2.gz SRVKCKGKCFFJEM-MSOLQXFVSA-N 2 0 329.444 1.795 20 0 EDADRP CC(C)(C)OC(=O)N1CCCC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000863552701 596615798 /nfs/dbraw/zinc/61/57/98/596615798.db2.gz OGTLWSBENLOYTR-CVEARBPZSA-N 2 0 341.496 1.822 20 0 EDADRP CC(C)(C)OC(=O)N[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000863553608 596615813 /nfs/dbraw/zinc/61/58/13/596615813.db2.gz GMWPRUVNAPFQAI-HUUCEWRRSA-N 2 0 327.469 1.336 20 0 EDADRP C[NH+](C)CCc1ccc(C(=O)N[C@H]2CC[N@H+](CC(C)(C)O)C2)cc1 ZINC000869777171 596627758 /nfs/dbraw/zinc/62/77/58/596627758.db2.gz BBVLZKWPPOJPGN-KRWDZBQOSA-N 2 0 333.476 1.366 20 0 EDADRP OC1(C[NH+]2CCOCC2)CCN(c2cc[nH+]cc2C(F)(F)F)CC1 ZINC000865664953 596642924 /nfs/dbraw/zinc/64/29/24/596642924.db2.gz PLRNHAUXDCAOGT-UHFFFAOYSA-N 2 0 345.365 1.764 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](Cn2cnc3c(cnn3C3CC[NH2+]CC3)c2=O)CC1 ZINC000871674680 596667280 /nfs/dbraw/zinc/66/72/80/596667280.db2.gz HBFPPRRYARUINH-HDJSIYSDSA-N 2 0 344.463 1.283 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868160247 596706327 /nfs/dbraw/zinc/70/63/27/596706327.db2.gz CUAUXYUFWBQGLE-QGZVFWFLSA-N 2 0 336.484 1.674 20 0 EDADRP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870016706 596708943 /nfs/dbraw/zinc/70/89/43/596708943.db2.gz VNEISLOFHJVVAZ-RNGXCGTMSA-N 2 0 325.497 1.244 20 0 EDADRP Cc1ccc(COCC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870017598 596709579 /nfs/dbraw/zinc/70/95/79/596709579.db2.gz OWZJDULWQYSRMJ-RTBURBONSA-N 2 0 347.503 1.709 20 0 EDADRP C/C(=C/c1cccnc1)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870018285 596710278 /nfs/dbraw/zinc/71/02/78/596710278.db2.gz ZPCHPHDDZFTNLV-YLODTGQCSA-N 2 0 330.476 1.683 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(F)(F)c2nccs2)C[C@H]1C[NH+](C)C ZINC000870019281 596710835 /nfs/dbraw/zinc/71/08/35/596710835.db2.gz CGSRLJXGAXARJD-VXGBXAGGSA-N 2 0 346.447 1.433 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)/C=C\c2ccc(O)cc2)C[C@H]1C[NH+](C)C ZINC000870021165 596711980 /nfs/dbraw/zinc/71/19/80/596711980.db2.gz BKWWMQZOEBHJEI-GJWDQICYSA-N 2 0 331.460 1.603 20 0 EDADRP Cc1noc(C(C)C)c1C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870024185 596713801 /nfs/dbraw/zinc/71/38/01/596713801.db2.gz JVPZVPKUVYCZAF-HUUCEWRRSA-N 2 0 336.480 1.918 20 0 EDADRP CCOc1ccc(CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870024687 596714486 /nfs/dbraw/zinc/71/44/86/596714486.db2.gz FXWDDIIYNHJGDC-QZTJIDSGSA-N 2 0 347.503 1.826 20 0 EDADRP COc1cnc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c(F)c1 ZINC000870025237 596714689 /nfs/dbraw/zinc/71/46/89/596714689.db2.gz NZDPBSLERBJDEU-CHWSQXEVSA-N 2 0 338.427 1.041 20 0 EDADRP CN1CCn2nc(NC(=O)NCc3ccc(C[NH3+])cc3F)cc2C1 ZINC000868203782 596722231 /nfs/dbraw/zinc/72/22/31/596722231.db2.gz HONTVUORYJQHTF-UHFFFAOYSA-N 2 0 332.383 1.248 20 0 EDADRP C[C@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868224339 596734066 /nfs/dbraw/zinc/73/40/66/596734066.db2.gz GMCOOXGHVPGZHN-XOKHGSTOSA-N 2 0 344.459 1.430 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000868226438 596734859 /nfs/dbraw/zinc/73/48/59/596734859.db2.gz BYVKFPZUFKEFDI-YLFCFFPRSA-N 2 0 342.443 1.183 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000868226436 596734961 /nfs/dbraw/zinc/73/49/61/596734961.db2.gz BYVKFPZUFKEFDI-VVLHAWIVSA-N 2 0 342.443 1.183 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)[NH+]1CCCCC1 ZINC000868228088 596735235 /nfs/dbraw/zinc/73/52/35/596735235.db2.gz BFANNASFDSXKOY-RRQGHBQHSA-N 2 0 344.459 1.430 20 0 EDADRP C[NH+](C)C[C@@H]1CN(c2nc3ccccc3nc2F)C[C@H]1C[NH+](C)C ZINC000866010496 596756904 /nfs/dbraw/zinc/75/69/04/596756904.db2.gz KVUXPUQDCPFICR-ZIAGYGMSSA-N 2 0 331.439 1.945 20 0 EDADRP Cc1ccn(-c2ccc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nn2)n1 ZINC000866012595 596757474 /nfs/dbraw/zinc/75/74/74/596757474.db2.gz KEBZNYSCIZFHOA-HZPDHXFCSA-N 2 0 343.479 1.146 20 0 EDADRP C[NH+]1CCC2(CCN(C(=O)C(=O)Nc3ccc(C[NH3+])cc3)CC2)CC1 ZINC000868291115 596770351 /nfs/dbraw/zinc/77/03/51/596770351.db2.gz BJEACJCGUSZDJE-UHFFFAOYSA-N 2 0 344.459 1.418 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC2CCC(C)([NH+](C)C)CC2)CCSC1 ZINC000868355767 596798990 /nfs/dbraw/zinc/79/89/90/596798990.db2.gz NMCLOVTVYXHXQF-PREGVCBESA-N 2 0 342.553 1.986 20 0 EDADRP Cn1c(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)cc(=O)n(C)c1=O ZINC000872156456 596816191 /nfs/dbraw/zinc/81/61/91/596816191.db2.gz JXVFCZKGTBLWTJ-RHSMWYFYSA-N 2 0 348.491 1.204 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+]C[C@H](O)CC(C)(C)O)CC1 ZINC000872198576 596831575 /nfs/dbraw/zinc/83/15/75/596831575.db2.gz RFFSJYNGRTUHCV-LJQANCHMSA-N 2 0 349.519 1.436 20 0 EDADRP C[C@@H]1COCC[C@@H]1CNC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875578038 596903799 /nfs/dbraw/zinc/90/37/99/596903799.db2.gz XPMDLWSXWPOGOS-QBPKDAKJSA-N 2 0 340.512 1.040 20 0 EDADRP C[C@@H](COCC1CC1)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000875698016 596951040 /nfs/dbraw/zinc/95/10/40/596951040.db2.gz STJOLHRKMQXNFJ-USXIJHARSA-N 2 0 340.512 1.182 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N(C)CC[NH+]2CC3(C2)CCOCC3)C1 ZINC000875746625 596971142 /nfs/dbraw/zinc/97/11/42/596971142.db2.gz JZFJUIBZJQZRST-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H]2CCOC2(C)C)C[C@H]1C[NH+](C)C ZINC000875753458 596973277 /nfs/dbraw/zinc/97/32/77/596973277.db2.gz UCRKNRNCARSXSO-OAGGEKHMSA-N 2 0 340.512 1.182 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-n2ccnc2)ccc1O ZINC000874382041 597049946 /nfs/dbraw/zinc/04/99/46/597049946.db2.gz INPYQGUJVYBMKM-UHFFFAOYSA-N 2 0 345.447 1.143 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccccc1 ZINC000874433011 597076190 /nfs/dbraw/zinc/07/61/90/597076190.db2.gz TYDYGUZCVKIGRH-RDGPPVDQSA-N 2 0 344.503 1.989 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCn3nccc32)C[C@H]1C[NH+](C)C ZINC000876302996 597165891 /nfs/dbraw/zinc/16/58/91/597165891.db2.gz MRMOBHUGWASMFX-OAGGEKHMSA-N 2 0 348.495 1.099 20 0 EDADRP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000874838641 597192766 /nfs/dbraw/zinc/19/27/66/597192766.db2.gz QHXYSZAFTWYCNI-NSHGMRRFSA-N 2 0 343.471 1.319 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H]2CCC[N@@H+]3C)c1 ZINC000873111027 597199462 /nfs/dbraw/zinc/19/94/62/597199462.db2.gz CESCJEXMUZUZEC-CVEARBPZSA-N 2 0 330.432 1.040 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000876520245 597228812 /nfs/dbraw/zinc/22/88/12/597228812.db2.gz GXOQLNNBDUGQIJ-AWEZNQCLSA-N 2 0 345.443 1.876 20 0 EDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(CN2C(=O)CNC2=O)cc1 ZINC000873249738 597240442 /nfs/dbraw/zinc/24/04/42/597240442.db2.gz NNPOUCICILPAFJ-JKSUJKDBSA-N 2 0 330.432 1.488 20 0 EDADRP C[C@H]([NH2+][C@@H](C)C1CC[NH2+]CC1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000873269852 597243825 /nfs/dbraw/zinc/24/38/25/597243825.db2.gz LNIIQIJWYNWDHS-KBPBESRZSA-N 2 0 339.505 1.976 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2Cc3ccccc3CN2)CC[NH2+]CC1 ZINC000873296620 597250047 /nfs/dbraw/zinc/25/00/47/597250047.db2.gz KAMCZZQQHJFKRO-MAUKXSAKSA-N 2 0 345.487 1.612 20 0 EDADRP C[NH+](C)CCN1CCC(NC(=O)N2CC[N@H+](C)C(C)(C)CC2)CC1 ZINC000875056726 597264256 /nfs/dbraw/zinc/26/42/56/597264256.db2.gz UBKFIEZUNIHEJF-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)N[C@H]1CC[NH+](CC(C)(C)O)C1 ZINC000875144586 597302084 /nfs/dbraw/zinc/30/20/84/597302084.db2.gz RSMLSXAIQIBAJL-PMPSAXMXSA-N 2 0 340.512 1.251 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876725664 597307630 /nfs/dbraw/zinc/30/76/30/597307630.db2.gz NRWWKFWDJVBUIN-WMLDXEAASA-N 2 0 335.423 1.529 20 0 EDADRP CC1CC[NH+]([C@H](CNC(=O)[C@@H](N)C[NH+](C)C)c2ccccc2)CC1 ZINC000876733033 597312035 /nfs/dbraw/zinc/31/20/35/597312035.db2.gz MMEDJNBLFSLXJM-ZWKOTPCHSA-N 2 0 332.492 1.465 20 0 EDADRP [NH3+]C[C@@H]1[C@H](C(=O)NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1(F)F ZINC000876738605 597314862 /nfs/dbraw/zinc/31/48/62/597314862.db2.gz IAXSYQCKLMUCPD-IACUBPJLSA-N 2 0 343.443 1.916 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876741187 597316934 /nfs/dbraw/zinc/31/69/34/597316934.db2.gz VSVVFKUPVAOSSK-YDZSZYSISA-N 2 0 331.460 1.799 20 0 EDADRP C[NH+]1CCN(c2ccc(CNC(=O)/C=C\[C@@H]3CCC[NH2+]C3)cn2)CC1 ZINC000876780085 597337885 /nfs/dbraw/zinc/33/78/85/597337885.db2.gz CNLXWLUHYYBFEK-WRLNGNIRSA-N 2 0 343.475 1.005 20 0 EDADRP COCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000876792234 597342232 /nfs/dbraw/zinc/34/22/32/597342232.db2.gz UOPJGITVJMINOC-SFHVURJKSA-N 2 0 345.487 1.641 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CC12CC[NH2+]CC2)c1cccc(C(F)(F)F)c1 ZINC000876856723 597361004 /nfs/dbraw/zinc/36/10/04/597361004.db2.gz SBJPVMXUOCCHIS-CHWSQXEVSA-N 2 0 327.350 1.964 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000876872632 597364009 /nfs/dbraw/zinc/36/40/09/597364009.db2.gz IOPWMUMASCTBFI-INIZCTEOSA-N 2 0 333.480 1.719 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000876965705 597400260 /nfs/dbraw/zinc/40/02/60/597400260.db2.gz IMSUWJAYJWGHSR-LUKYLMHMSA-N 2 0 331.460 1.630 20 0 EDADRP CN(CCOCC[NH3+])C(=O)[C@@H]1C[NH2+]C[C@H]1c1ccc(Cl)cc1 ZINC000877055169 597423497 /nfs/dbraw/zinc/42/34/97/597423497.db2.gz QBZZFETWSCEZQD-LSDHHAIUSA-N 2 0 325.840 1.077 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)[NH2+]C1 ZINC000877155381 597445164 /nfs/dbraw/zinc/44/51/64/597445164.db2.gz UAHXTCMXJXKMAM-KGLIPLIRSA-N 2 0 334.468 1.101 20 0 EDADRP C[NH+]1CCC(CNC(=O)[C@@]2(C)C[NH2+]CCO2)(c2ccccc2)CC1 ZINC000877224782 597466650 /nfs/dbraw/zinc/46/66/50/597466650.db2.gz ONHIYPQTGCMRCG-GOSISDBHSA-N 2 0 331.460 1.145 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C[NH+]2CCCC2)[C@@H](c2ccccc2)C1 ZINC000873986155 597479914 /nfs/dbraw/zinc/47/99/14/597479914.db2.gz KTGLQOXLYYBCRG-LJQANCHMSA-N 2 0 344.503 1.577 20 0 EDADRP C[NH+]1CCC(NC(=O)CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000878286062 597592698 /nfs/dbraw/zinc/59/26/98/597592698.db2.gz JYGHUSSRMHIVSL-QAPCUYQASA-N 2 0 334.508 1.146 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH+]2CCC(N3CC[NH+](C)CC3)CC2)cc1 ZINC000879591261 597648493 /nfs/dbraw/zinc/64/84/93/597648493.db2.gz LJRKOOGRNDAGDD-IBGZPJMESA-N 2 0 347.503 1.447 20 0 EDADRP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C)CC1)[C@H](O)c1ccccc1 ZINC000878597641 597649771 /nfs/dbraw/zinc/64/97/71/597649771.db2.gz PYJYISUYTLXGMP-RTBURBONSA-N 2 0 333.476 1.545 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000879673422 597681615 /nfs/dbraw/zinc/68/16/15/597681615.db2.gz SKASIMRLFQLQEW-UHFFFAOYSA-N 2 0 334.468 1.537 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3cnn(-c4cc[nH+]cc4)c3)CC[C@H]21 ZINC000878829928 597726936 /nfs/dbraw/zinc/72/69/36/597726936.db2.gz NBOJFSPICBURJO-CZUORRHYSA-N 2 0 326.404 1.825 20 0 EDADRP CN(C[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2)C(=O)OC(C)(C)C ZINC000878864328 597738023 /nfs/dbraw/zinc/73/80/23/597738023.db2.gz YKLYUBRBTJMVCG-HNNXBMFYSA-N 2 0 341.496 1.632 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H](C[NH3+])C(F)(F)F)CCN1c1cc[nH+]cc1 ZINC000883575934 597809212 /nfs/dbraw/zinc/80/92/12/597809212.db2.gz UOBAHTDIACOWOA-ZYHUDNBSSA-N 2 0 331.342 1.191 20 0 EDADRP CC(C)([NH3+])CNC(=O)Nc1ccc(N2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000883586419 597814123 /nfs/dbraw/zinc/81/41/23/597814123.db2.gz LFQQOMXNIDALFQ-MRXNPFEDSA-N 2 0 331.464 1.830 20 0 EDADRP COCC[N@@H+](CC(=O)NC1CCCCC1)CC1CC[NH+](C)CC1 ZINC000879124178 597826153 /nfs/dbraw/zinc/82/61/53/597826153.db2.gz RCEMQVAJQLZZQG-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP COCC[N@H+](CCC(=O)N1CCC[C@H]1C)CC1CC[NH+](C)CC1 ZINC000879124805 597827129 /nfs/dbraw/zinc/82/71/29/597827129.db2.gz DLUVGDALNHNJOJ-MRXNPFEDSA-N 2 0 325.497 1.678 20 0 EDADRP CCc1ccc(C[NH+]2CCN(C[C@@H](O)C[N@H+](C)CCOC)CC2)cc1 ZINC000880249076 597882236 /nfs/dbraw/zinc/88/22/36/597882236.db2.gz RXJYRCKNDCDTEG-FQEVSTJZSA-N 2 0 349.519 1.306 20 0 EDADRP C[C@H]1C[N@H+](C[C@@H](O)COCc2ccco2)CCN1c1cc[nH+]cc1 ZINC000880262101 597886076 /nfs/dbraw/zinc/88/60/76/597886076.db2.gz TWLWJODATZAOHD-DOTOQJQBSA-N 2 0 331.416 1.763 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000883778615 597897884 /nfs/dbraw/zinc/89/78/84/597897884.db2.gz FFZXTTZQEBHBQG-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP CO[C@@H]1COCC[C@H]1[N@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000880431966 597932378 /nfs/dbraw/zinc/93/23/78/597932378.db2.gz JEYXSUZWBYOWTB-KZNAEPCWSA-N 2 0 349.475 1.141 20 0 EDADRP CC(C)[C@H]([NH3+])C(C)(C)C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000884186192 598018593 /nfs/dbraw/zinc/01/85/93/598018593.db2.gz SOTPDZTZTLODMJ-HOTGVXAUSA-N 2 0 325.497 1.756 20 0 EDADRP [NH3+][C@H](Cc1cc2ccccc2o1)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000884208354 598029900 /nfs/dbraw/zinc/02/99/00/598029900.db2.gz XRLHNXUDXWMOFX-HYVNUMGLSA-N 2 0 343.427 1.282 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884227160 598036315 /nfs/dbraw/zinc/03/63/15/598036315.db2.gz JSUOVHVYFLWPBD-KRWDZBQOSA-N 2 0 345.491 1.438 20 0 EDADRP O=C(c1ccnc(N2CC[NH2+]CC2)c1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000884238950 598039449 /nfs/dbraw/zinc/03/94/49/598039449.db2.gz KQHRVRVNYDAIEK-KRWDZBQOSA-N 2 0 343.475 1.095 20 0 EDADRP COc1ccc(CN2CCCN(C(=O)[C@@H]([NH3+])CC3CC3)CC2)cc1 ZINC000884305651 598060198 /nfs/dbraw/zinc/06/01/98/598060198.db2.gz CCUOBYZKCOVONY-SFHVURJKSA-N 2 0 331.460 1.857 20 0 EDADRP [NH3+][C@H](CC1CC1)C(=O)N(CCCN1CCOCC1)Cc1ccncc1 ZINC000884306235 598060291 /nfs/dbraw/zinc/06/02/91/598060291.db2.gz YVODYVJVPOUGBK-GOSISDBHSA-N 2 0 346.475 1.260 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)[C@H]([NH3+])Cc1c[nH]c2ccccc12 ZINC000884401255 598094175 /nfs/dbraw/zinc/09/41/75/598094175.db2.gz JIPPPJICMDSEFL-QGZVFWFLSA-N 2 0 345.491 1.037 20 0 EDADRP C[NH2+]CCOc1ccccc1C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000884414712 598098101 /nfs/dbraw/zinc/09/81/01/598098101.db2.gz ZLNBNJYDFVGNEL-MRXNPFEDSA-N 2 0 347.459 1.268 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000914150606 695159553 /nfs/dbraw/zinc/15/95/53/695159553.db2.gz PLJKIWFUJHBDNX-LVQVYYBASA-N 2 0 338.521 1.492 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CCC[NH+]3CCC4)C2)[nH]1 ZINC000995017189 699993750 /nfs/dbraw/zinc/99/37/50/699993750.db2.gz VIRSEHVNUFSYJN-HUUCEWRRSA-N 2 0 346.479 1.116 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCC[C@H]3CN(C(=O)C[NH+]4CCCC4)C[C@@H]32)no1 ZINC000992910039 695443685 /nfs/dbraw/zinc/44/36/85/695443685.db2.gz SFDRLMQBGMSHDY-RYQLBKOJSA-N 2 0 346.475 1.796 20 0 EDADRP CC(C)(C)CC[NH+]1CC(CNC(=O)[C@@H]2C[N@@H+]3CC4CC3(C4)CO2)C1 ZINC001031856860 700005543 /nfs/dbraw/zinc/00/55/43/700005543.db2.gz KNTPWILMRKRUGX-RCDNUKIMSA-N 2 0 335.492 1.334 20 0 EDADRP C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CCN1c1cc[nH+]cc1 ZINC000915258097 695772532 /nfs/dbraw/zinc/77/25/32/695772532.db2.gz UTABWXFDHXWHNL-INIZCTEOSA-N 2 0 328.460 1.995 20 0 EDADRP CNC(=O)C[N@@H+]1CC[C@H](NC(=O)c2ccccc2C[NH+](C)C)C[C@@H]1C ZINC000948064562 696664517 /nfs/dbraw/zinc/66/45/17/696664517.db2.gz FNWVRFAEJZXNBO-HOCLYGCPSA-N 2 0 346.475 1.077 20 0 EDADRP CC(C)n1cc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000940008566 700110432 /nfs/dbraw/zinc/11/04/32/700110432.db2.gz UFMORHOAFSDWHL-INIZCTEOSA-N 2 0 348.495 1.424 20 0 EDADRP COc1ccc(CN2CCC[C@H](NC(=O)C[NH+]3CCCC3)[C@@H]2C)cn1 ZINC000994410116 696836301 /nfs/dbraw/zinc/83/63/01/696836301.db2.gz RKQZKLXFBWKHRC-RDJZCZTQSA-N 2 0 346.475 1.655 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNc3cc(C)[nH+]c(N)n3)cn2)CC1 ZINC000917076597 696909519 /nfs/dbraw/zinc/90/95/19/696909519.db2.gz RMAMYGAKAUGCMN-UHFFFAOYSA-N 2 0 327.436 1.516 20 0 EDADRP C[C@@H]1[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CCC[N@@H+]1CCCO ZINC000994493468 696933240 /nfs/dbraw/zinc/93/32/40/696933240.db2.gz DGLXBBJBWXTVQR-CRAIPNDOSA-N 2 0 333.476 1.713 20 0 EDADRP C[C@@H](c1ccccc1)[C@H](O)CN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031389124 697009338 /nfs/dbraw/zinc/00/93/38/697009338.db2.gz BWHYZOPZUCXKIL-MAUKXSAKSA-N 2 0 331.460 1.047 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@@H]3C[C@]34CCOC4)C2)c1 ZINC001031433338 697095368 /nfs/dbraw/zinc/09/53/68/697095368.db2.gz HTCBHWGFUMFFEW-PXNSSMCTSA-N 2 0 343.471 1.589 20 0 EDADRP COCc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CCC[N@@H+]3C)C2)c1 ZINC001031579640 697275045 /nfs/dbraw/zinc/27/50/45/697275045.db2.gz IXMKNWDRHVDNOV-GOSISDBHSA-N 2 0 331.460 1.475 20 0 EDADRP C[C@H]1C[NH+](Cc2ccc(C[NH2+]CCS(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000920091885 697394322 /nfs/dbraw/zinc/39/43/22/697394322.db2.gz SFQZJCLIJKLFJF-GJZGRUSLSA-N 2 0 340.489 1.430 20 0 EDADRP C[NH+](C)[C@@H](CNC(=S)NC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000920307843 697419114 /nfs/dbraw/zinc/41/91/14/697419114.db2.gz PYLYLIUDCGMNDI-INIZCTEOSA-N 2 0 338.496 1.987 20 0 EDADRP O=C(NCC1C[NH+](CCOc2ccccc2)C1)[C@@H]1C[NH+]2CCC1CC2 ZINC001031675199 697484789 /nfs/dbraw/zinc/48/47/89/697484789.db2.gz YYCXKQKVXBAUPZ-LJQANCHMSA-N 2 0 343.471 1.455 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCC2C[NH+](CCn3nc(C)cc3C)C2)CC[N@@H+]1C ZINC001031686789 697519130 /nfs/dbraw/zinc/51/91/30/697519130.db2.gz TZZBOMWCGTZSDK-ZWKOTPCHSA-N 2 0 347.507 1.278 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](Cc2ccc(CO)cc2)C1 ZINC001031714422 697742401 /nfs/dbraw/zinc/74/24/01/697742401.db2.gz IIHNWZPMOOLOOU-IBGZPJMESA-N 2 0 345.487 1.601 20 0 EDADRP COc1cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)Cn3cncc3C)C2)on1 ZINC000995038133 700196554 /nfs/dbraw/zinc/19/65/54/700196554.db2.gz PXRMGPAEYJHURB-KGLIPLIRSA-N 2 0 347.419 1.263 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940108530 700220722 /nfs/dbraw/zinc/22/07/22/700220722.db2.gz GDOHTMNFDCVJHN-INIZCTEOSA-N 2 0 345.491 1.820 20 0 EDADRP CCCC[N@@H+]1CC[C@@H](NC(=O)c2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000943516276 698430685 /nfs/dbraw/zinc/43/06/85/698430685.db2.gz KTDZSGNFXBISRP-NVXWUHKLSA-N 2 0 335.496 1.685 20 0 EDADRP CC1([NH2+]C[C@@H]2CCCOC2)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115561 700230560 /nfs/dbraw/zinc/23/05/60/700230560.db2.gz MFDKZFFYVOMBSJ-WMZOPIPTSA-N 2 0 349.519 1.726 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941471075 701549908 /nfs/dbraw/zinc/54/99/08/701549908.db2.gz OUGNCFAXLMITCJ-LJQANCHMSA-N 2 0 348.535 1.345 20 0 EDADRP Cc1ncoc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000940117929 700250706 /nfs/dbraw/zinc/25/07/06/700250706.db2.gz ZFOFVFQXFUQLES-HUUCEWRRSA-N 2 0 334.464 1.794 20 0 EDADRP O=C([C@H](C1CC1)[NH+]1CCCC1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941502596 701561689 /nfs/dbraw/zinc/56/16/89/701561689.db2.gz SRWAOKKSIXJANB-IBGZPJMESA-N 2 0 346.519 1.099 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939054103 699114401 /nfs/dbraw/zinc/11/44/01/699114401.db2.gz DXURHVNXWZBPKF-KDOFPFPSSA-N 2 0 330.476 1.668 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)ccn1 ZINC000939054111 699114489 /nfs/dbraw/zinc/11/44/89/699114489.db2.gz FBSLAGDVDIDVOP-RHSMWYFYSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]2C)o1 ZINC000939064330 699131992 /nfs/dbraw/zinc/13/19/92/699131992.db2.gz UVGFNEUBDDBDBA-LRDDRELGSA-N 2 0 334.464 1.570 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCN(C3C[NH+](CCC4CC4)C3)CC2)CC1 ZINC000941595177 701587124 /nfs/dbraw/zinc/58/71/24/701587124.db2.gz FSAJWQYMDITWNA-UHFFFAOYSA-N 2 0 348.535 1.347 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC2CCOCC2)C1 ZINC001031805706 699399314 /nfs/dbraw/zinc/39/93/14/699399314.db2.gz BISSZUYZANGJBM-SFHVURJKSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@H]1[NH2+]Cc1cnn(C)c1 ZINC000939549524 699674813 /nfs/dbraw/zinc/67/48/13/699674813.db2.gz AALYXATVRSEVEW-XJKSGUPXSA-N 2 0 342.447 1.131 20 0 EDADRP Cc1nocc1C[NH2+][C@H]1CN(C(=O)c2c[nH+]ccc2N(C)C)C[C@@H]1C ZINC000939552252 699701910 /nfs/dbraw/zinc/70/19/10/699701910.db2.gz WIWJWFWBGPMJDJ-LRDDRELGSA-N 2 0 343.431 1.694 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCN(C2C[NH+](CCC3CC3)C2)CC1 ZINC000941677096 701615776 /nfs/dbraw/zinc/61/57/76/701615776.db2.gz KTKFPLFLRXOCMK-UHFFFAOYSA-N 2 0 348.535 1.491 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccc(Cl)nc1 ZINC000939757002 699923839 /nfs/dbraw/zinc/92/38/39/699923839.db2.gz WKUZWFSBHMQROO-DZGCQCFKSA-N 2 0 336.867 1.767 20 0 EDADRP CC(C)n1ccc(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)n1 ZINC000939759219 699926389 /nfs/dbraw/zinc/92/63/89/699926389.db2.gz MBCFTIVHULGUCZ-DOTOQJQBSA-N 2 0 333.480 1.496 20 0 EDADRP O=C(NCC1C[NH+](CC[C@H]2CCCCO2)C1)c1ccc2c[nH+]cn2c1 ZINC001031850388 699940833 /nfs/dbraw/zinc/94/08/33/699940833.db2.gz YCMHIZPNGGGQRN-GOSISDBHSA-N 2 0 342.443 1.955 20 0 EDADRP C[C@H]1CC[C@H](C[NH+]2CC(CNC(=O)c3ccc4c[nH+]cn4c3)C2)O1 ZINC001031850427 699942153 /nfs/dbraw/zinc/94/21/53/699942153.db2.gz ZTPZLCFARNIYPQ-SUMWQHHRSA-N 2 0 328.416 1.563 20 0 EDADRP CC1([NH2+]C[C@@H]2CCCCO2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC000940144826 700274885 /nfs/dbraw/zinc/27/48/85/700274885.db2.gz PSEJIYLRZVALLB-INIZCTEOSA-N 2 0 334.464 1.882 20 0 EDADRP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)CCC1 ZINC000940149653 700282707 /nfs/dbraw/zinc/28/27/07/700282707.db2.gz NJHABBZYDBBVOL-UHFFFAOYSA-N 2 0 337.493 1.493 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)nn1 ZINC000940149917 700283006 /nfs/dbraw/zinc/28/30/06/700283006.db2.gz RTCCPPRYYZTNHI-INIZCTEOSA-N 2 0 348.495 1.109 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)C3([NH+](C)C)CCC3)CC2)ncn1 ZINC000940150576 700300330 /nfs/dbraw/zinc/30/03/30/700300330.db2.gz YCIGZWIJTKTGPS-UHFFFAOYSA-N 2 0 345.491 1.740 20 0 EDADRP Cc1nc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)co1 ZINC000940178847 700312255 /nfs/dbraw/zinc/31/22/55/700312255.db2.gz NCILLSWZPTWBTM-INIZCTEOSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1nccc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000940179497 700313262 /nfs/dbraw/zinc/31/32/62/700313262.db2.gz WAVYZZHZLWBKEK-MRXNPFEDSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1ccnc(C[NH2+]C2(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC2)n1 ZINC000940306820 700488951 /nfs/dbraw/zinc/48/89/51/700488951.db2.gz NJAGPJBCZPQUMN-QGZVFWFLSA-N 2 0 347.507 1.842 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]Cc3nncs3)CC2)C1 ZINC000940328087 700505791 /nfs/dbraw/zinc/50/57/91/700505791.db2.gz FKTVURQIBLDYPK-ZDUSSCGKSA-N 2 0 337.493 1.351 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C)([NH2+]Cc2ncccn2)CC1 ZINC000940329633 700508987 /nfs/dbraw/zinc/50/89/87/700508987.db2.gz WDQXNVQHRRZMSM-LSDHHAIUSA-N 2 0 331.464 1.145 20 0 EDADRP Cc1cc(C[NH2+]C2(C)CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC000940329869 700509686 /nfs/dbraw/zinc/50/96/86/700509686.db2.gz ZBLBUOAKFCKNHT-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+]C2(C)CCN(C(=O)C34CC[NH+](CC3)C4)CC2)CCO1 ZINC000940427615 700621804 /nfs/dbraw/zinc/62/18/04/700621804.db2.gz MHOHTZVODLACEU-IRXDYDNUSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1cccnc1C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000940457450 700660959 /nfs/dbraw/zinc/66/09/59/700660959.db2.gz GOBVLQOVBJCCNI-INIZCTEOSA-N 2 0 330.476 1.812 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CC[N@@H+](C)C3)CC2)cn1 ZINC000940461512 700664558 /nfs/dbraw/zinc/66/45/58/700664558.db2.gz FKQVPBZUMAFONO-MRXNPFEDSA-N 2 0 331.464 1.207 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)o1 ZINC000940461845 700665315 /nfs/dbraw/zinc/66/53/15/700665315.db2.gz NWKMWCNGAKFJNI-UHFFFAOYSA-N 2 0 334.464 1.858 20 0 EDADRP Cn1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C2)n1 ZINC000995081409 700711193 /nfs/dbraw/zinc/71/11/93/700711193.db2.gz UZRWMIKRAWYBAS-GDBMZVCRSA-N 2 0 333.480 1.136 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082696 700726589 /nfs/dbraw/zinc/72/65/89/700726589.db2.gz ZJESOGNFTBRKOP-HIFRSBDPSA-N 2 0 335.452 1.094 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]Cc3nccs3)C2)CC1 ZINC000995082793 700727049 /nfs/dbraw/zinc/72/70/49/700727049.db2.gz ZSLNBSXFTLASLN-UKRRQHHQSA-N 2 0 336.505 1.859 20 0 EDADRP Cc1cc(C[NH+]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)C(C)(C)C2)ncn1 ZINC000940625866 700788154 /nfs/dbraw/zinc/78/81/54/700788154.db2.gz VZJZMOLCHIDVRN-SJORKVTESA-N 2 0 345.491 1.596 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1CC(=O)N[C@H]1CC[NH+](CCO)CC1(C)C ZINC000940800922 700906362 /nfs/dbraw/zinc/90/63/62/700906362.db2.gz KEDSQFFKBBQXOL-HOTGVXAUSA-N 2 0 325.497 1.458 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](C(=O)NCC2C[NH+](CCc3ccccc3)C2)C1 ZINC001031921532 701063218 /nfs/dbraw/zinc/06/32/18/701063218.db2.gz SABAZWATGVJYLE-IBGZPJMESA-N 2 0 345.487 1.386 20 0 EDADRP CO[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C(C)(C)C1 ZINC000941029703 701070565 /nfs/dbraw/zinc/07/05/65/701070565.db2.gz ZIHNXBOKJXAJHI-CVEARBPZSA-N 2 0 339.524 1.970 20 0 EDADRP CO[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC000941078686 701140455 /nfs/dbraw/zinc/14/04/55/701140455.db2.gz ISZDQAYGXKZLLK-RDJZCZTQSA-N 2 0 339.524 1.970 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]Cc2ccnn2C)C1 ZINC000999167345 706594249 /nfs/dbraw/zinc/59/42/49/706594249.db2.gz BSLRFIZBPRZLSW-VMWRSERWSA-N 2 0 345.491 1.374 20 0 EDADRP CC1(C)C[N@H+](C[C@@H]2CCCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166984 701377895 /nfs/dbraw/zinc/37/78/95/701377895.db2.gz NVFRHQOIYRCINN-DLBZAZTESA-N 2 0 349.519 1.726 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999170734 706600452 /nfs/dbraw/zinc/60/04/52/706600452.db2.gz RSINOLDAWMCOFH-RTBURBONSA-N 2 0 342.487 1.812 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)ncn1 ZINC000999173654 706605254 /nfs/dbraw/zinc/60/52/54/706605254.db2.gz LIPVYFNFWLXJDC-SJLPKXTDSA-N 2 0 343.475 1.207 20 0 EDADRP O=C(NCC1C[NH+](C/C=C/c2ccccc2)C1)C12CC[NH+](CC1)C2 ZINC001032130483 701844050 /nfs/dbraw/zinc/84/40/50/701844050.db2.gz SBIYSHBYQQKHGL-QPJJXVBHSA-N 2 0 325.456 1.844 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000999188504 706629991 /nfs/dbraw/zinc/62/99/91/706629991.db2.gz AZCULTNPBHYGKE-DJIMGWMZSA-N 2 0 333.480 1.149 20 0 EDADRP Cc1cncc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)c1 ZINC000999190423 706633197 /nfs/dbraw/zinc/63/31/97/706633197.db2.gz QXJFHRAVHPEDCE-KBAYOESNSA-N 2 0 330.476 1.811 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2ccc(CC[NH+](C)C)cc2)C1)OC ZINC001031979460 702073137 /nfs/dbraw/zinc/07/31/37/702073137.db2.gz WRRNAXJFHSPZOE-LJQANCHMSA-N 2 0 347.503 1.877 20 0 EDADRP C[C@@H]1[C@H](C(=O)N2C[C@H](NCc3ncccn3)C(C)(C)C2)CC[N@@H+]1C ZINC000995823354 702093337 /nfs/dbraw/zinc/09/33/37/702093337.db2.gz FWHQMPFMAGCJAP-KFWWJZLASA-N 2 0 331.464 1.143 20 0 EDADRP Cn1cc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)cn1 ZINC000995895794 702199240 /nfs/dbraw/zinc/19/92/40/702199240.db2.gz MKHSKFMBXYPUFQ-JKSUJKDBSA-N 2 0 333.480 1.087 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2(C)C)o1 ZINC000995898446 702202983 /nfs/dbraw/zinc/20/29/83/702202983.db2.gz UQYBWCOVEUICKT-JKSUJKDBSA-N 2 0 334.464 1.650 20 0 EDADRP COc1cccc(OCC[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182563 702204163 /nfs/dbraw/zinc/20/41/63/702204163.db2.gz NPZPHXWHYIDAAJ-INIZCTEOSA-N 2 0 347.459 1.074 20 0 EDADRP Cc1c(C(=O)N2C[C@@H]([NH2+]C[C@@H](C)O)C(C)(C)C2)ccc2c[nH+]cn21 ZINC000995987297 702350529 /nfs/dbraw/zinc/35/05/29/702350529.db2.gz QEUQNVWZVXZGNB-MLGOLLRUSA-N 2 0 330.432 1.464 20 0 EDADRP Cc1c(C(=O)N2C[C@H]([NH2+]C[C@@H](C)O)C(C)(C)C2)ccc2c[nH+]cn21 ZINC000995987303 702352589 /nfs/dbraw/zinc/35/25/89/702352589.db2.gz QEUQNVWZVXZGNB-WBMJQRKESA-N 2 0 330.432 1.464 20 0 EDADRP Cn1ccc(C[NH2+][C@H]2CN(C(=O)[C@H]3CCCC[N@@H+]3C)CC2(C)C)n1 ZINC000995972939 702358170 /nfs/dbraw/zinc/35/81/70/702358170.db2.gz FJMJTEDYCUOBFJ-CVEARBPZSA-N 2 0 333.480 1.231 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCn2cccn2)C(C)(C)C1 ZINC000995974953 702360979 /nfs/dbraw/zinc/36/09/79/702360979.db2.gz IJVJYWVDTKLGKR-HOTGVXAUSA-N 2 0 333.480 1.194 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC000999211256 706663765 /nfs/dbraw/zinc/66/37/65/706663765.db2.gz XQLQITXMKGEDBC-OKZBNKHCSA-N 2 0 330.476 1.893 20 0 EDADRP Cc1nccnc1C[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)[C@H](C)C1 ZINC000944169115 702410406 /nfs/dbraw/zinc/41/04/06/702410406.db2.gz MDTKDBJFDCJHFZ-ZBFHGGJFSA-N 2 0 343.475 1.207 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N1C[C@H]([NH2+]CCO)C(C)(C)C1 ZINC000996099661 702516532 /nfs/dbraw/zinc/51/65/32/702516532.db2.gz NKRUBBLXKYXNEG-KRWDZBQOSA-N 2 0 333.476 1.223 20 0 EDADRP C[NH+]1CCC(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@@H]2CCCO2)CC1 ZINC001032665870 706678816 /nfs/dbraw/zinc/67/88/16/706678816.db2.gz JTNWAJVRRCUATF-BZSNNMDCSA-N 2 0 335.492 1.573 20 0 EDADRP CC(C)(C(=O)N1C[C@H]([NH2+]C[C@@H]2CCOC2)C(C)(C)C1)[NH+]1CCCC1 ZINC000996126991 702558384 /nfs/dbraw/zinc/55/83/84/702558384.db2.gz LYBUWIFZPNDLQY-HOTGVXAUSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@H]([NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999225570 706683340 /nfs/dbraw/zinc/68/33/40/706683340.db2.gz VULUWODJEGTVJX-FHERZECASA-N 2 0 345.491 1.991 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2(C)C)o1 ZINC000996299729 702690371 /nfs/dbraw/zinc/69/03/71/702690371.db2.gz DKJLPVHEZMVJEF-CJNGLKHVSA-N 2 0 334.464 1.651 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)N2C[C@@H]([NH2+]CCO)C(C)(C)C2)C1 ZINC000996300390 702691795 /nfs/dbraw/zinc/69/17/95/702691795.db2.gz LHNIUMSLCSIZKI-CXAGYDPISA-N 2 0 329.460 1.018 20 0 EDADRP CC(C)n1cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[NH+]3CCCC3)C2)nn1 ZINC000995213322 702702739 /nfs/dbraw/zinc/70/27/39/702702739.db2.gz QFOLZQGIGQRVQE-JKSUJKDBSA-N 2 0 348.495 1.329 20 0 EDADRP Cc1nnc(C[NH2+]C2CCN(C(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)CC2)[nH]1 ZINC000996500597 702839732 /nfs/dbraw/zinc/83/97/32/702839732.db2.gz HBLDKQOFWNQBRG-ZBFHGGJFSA-N 2 0 346.479 1.068 20 0 EDADRP CC1(C)CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1[NH2+]CCF ZINC000996501723 702840429 /nfs/dbraw/zinc/84/04/29/702840429.db2.gz MERPUQYZUGWYEB-MRXNPFEDSA-N 2 0 325.472 1.905 20 0 EDADRP CC[C@H]([NH2+]C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1)C(N)=O ZINC000996534642 702848822 /nfs/dbraw/zinc/84/88/22/702848822.db2.gz ULUQLDGMAPPDKA-HNNXBMFYSA-N 2 0 338.496 1.095 20 0 EDADRP CC1(C)CN(C(=O)C23CC[NH+](CC2)C3)C[C@H]1[NH2+]Cc1ccc(F)cn1 ZINC000996520063 702856037 /nfs/dbraw/zinc/85/60/37/702856037.db2.gz MPUULASQJFHCJK-MRXNPFEDSA-N 2 0 346.450 1.643 20 0 EDADRP CC1(C)CO[C@@H](C[NH2+]C2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)C1 ZINC000996560976 702874835 /nfs/dbraw/zinc/87/48/35/702874835.db2.gz MERYMGSDNCIHIB-MSOLQXFVSA-N 2 0 349.519 1.724 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)[C@@H]3C[NH+]4CCC3CC4)CC2)cs1 ZINC000996561473 702875591 /nfs/dbraw/zinc/87/55/91/702875591.db2.gz PLLCYCYOVXPGPC-QGZVFWFLSA-N 2 0 348.516 1.874 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996606988 702910396 /nfs/dbraw/zinc/91/03/96/702910396.db2.gz BRTLSERMXWTTAK-YOEHRIQHSA-N 2 0 348.491 1.824 20 0 EDADRP Cc1cc(C[NH2+][C@@H]2CN(C(=O)[C@@H]3CC[N@H+](C)C3)CC2(C)C)nn1C ZINC000996608766 702912156 /nfs/dbraw/zinc/91/21/56/702912156.db2.gz HNOYBKQBCPYNRG-GDBMZVCRSA-N 2 0 333.480 1.007 20 0 EDADRP CC1(C)CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]C[C@@H](O)c1ccccc1 ZINC000996611383 702916369 /nfs/dbraw/zinc/91/63/69/702916369.db2.gz MUQSUWZJSGGFTN-QZTJIDSGSA-N 2 0 345.487 1.642 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000996662064 702959397 /nfs/dbraw/zinc/95/93/97/702959397.db2.gz OQRHNZGHGWYGGX-SJLPKXTDSA-N 2 0 337.508 1.868 20 0 EDADRP COc1ccc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996669023 702970473 /nfs/dbraw/zinc/97/04/73/702970473.db2.gz FGMDTXJXOFZZMO-UHFFFAOYSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)C[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC000996669598 702971455 /nfs/dbraw/zinc/97/14/55/702971455.db2.gz PVHLFBYNUOZZIR-INIZCTEOSA-N 2 0 349.479 1.722 20 0 EDADRP CCn1nc(C)c(C[NH2+]C2CCN(C(=O)C[N@H+](C)C3CCC3)CC2)n1 ZINC000996670770 702972252 /nfs/dbraw/zinc/97/22/52/702972252.db2.gz DPCZROBVLMQJDC-UHFFFAOYSA-N 2 0 348.495 1.171 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2cncc(F)c2)CC1)C1CC1 ZINC000996677584 702976532 /nfs/dbraw/zinc/97/65/32/702976532.db2.gz LKEQZDSIUDTRRK-QGZVFWFLSA-N 2 0 334.439 1.642 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000996685823 702983578 /nfs/dbraw/zinc/98/35/78/702983578.db2.gz AYMNQCFAKAIGLI-QGZVFWFLSA-N 2 0 334.464 1.938 20 0 EDADRP Cn1nccc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996687115 702984462 /nfs/dbraw/zinc/98/44/62/702984462.db2.gz GCFHEBWFZAVPQJ-MRXNPFEDSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000996690108 702987296 /nfs/dbraw/zinc/98/72/96/702987296.db2.gz OXCWXXLNRFYBKE-GOSISDBHSA-N 2 0 347.507 1.684 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+][C@H](C)c2csnn2)CC1)[NH+](C)C ZINC000996695287 702992039 /nfs/dbraw/zinc/99/20/39/702992039.db2.gz KPEVUFHXEVCYMU-DOMZBBRYSA-N 2 0 339.509 1.766 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC000996727509 703022372 /nfs/dbraw/zinc/02/23/72/703022372.db2.gz GPIPKRVJZYSEGX-MRXNPFEDSA-N 2 0 348.495 1.171 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH2+]Cc2nccn2C)CC1 ZINC000996755406 703044307 /nfs/dbraw/zinc/04/43/07/703044307.db2.gz CQGXROCKAVRWIX-QGZVFWFLSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1nnc(CN2CC[C@H](NC(=O)C(C)(C)[NH+]3CCCC3)[C@H](C)C2)[nH]1 ZINC000942556268 703070511 /nfs/dbraw/zinc/07/05/11/703070511.db2.gz YMVPHMWAXWIUAV-HIFRSBDPSA-N 2 0 348.495 1.314 20 0 EDADRP CCCN1CC[NH+](C2CCC(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC000996800511 703086425 /nfs/dbraw/zinc/08/64/25/703086425.db2.gz CKNNCXBBKQIBRH-UHFFFAOYSA-N 2 0 336.524 1.537 20 0 EDADRP C[C@@H]1CN(Cc2cnns2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942596599 703110775 /nfs/dbraw/zinc/11/07/75/703110775.db2.gz CPQRXFAODMVAEM-IUODEOHRSA-N 2 0 337.493 1.207 20 0 EDADRP Cc1nc(C)c(C[N@@H+]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)o1 ZINC000942597970 703112682 /nfs/dbraw/zinc/11/26/82/703112682.db2.gz PAEDXGDCGWNMTB-SUMWQHHRSA-N 2 0 348.491 1.960 20 0 EDADRP C[C@@H]1C[N@H+](Cc2cncs2)CC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942598045 703112706 /nfs/dbraw/zinc/11/27/06/703112706.db2.gz QOXNLLPKVSTLBM-CZUORRHYSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1cccc(C)c1C[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CN(C)CCO1 ZINC001032332928 703117836 /nfs/dbraw/zinc/11/78/36/703117836.db2.gz GKZHQLVNVCVNQW-JENIJYKNSA-N 2 0 343.471 1.419 20 0 EDADRP O=C(NCC1C[NH+](CC2CCOCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001032043147 703216107 /nfs/dbraw/zinc/21/61/07/703216107.db2.gz WARCRIXVXZJOEQ-QZTJIDSGSA-N 2 0 335.492 1.478 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C3CC[NH+](C)CC3)CC2)c(C)o1 ZINC000996952450 703222776 /nfs/dbraw/zinc/22/27/76/703222776.db2.gz JBRKAOBIMOPVGF-UHFFFAOYSA-N 2 0 334.464 1.714 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000942719457 703234017 /nfs/dbraw/zinc/23/40/17/703234017.db2.gz FWTVUGHHEBFFMZ-LPHOPBHVSA-N 2 0 347.503 1.877 20 0 EDADRP Cc1cc(C[NH+]2CCC([C@@H](C)NC(=O)[C@H]3CCC[N@@H+]3C)CC2)ncn1 ZINC000996980591 703235772 /nfs/dbraw/zinc/23/57/72/703235772.db2.gz SISXEPVHCRKVDH-CRAIPNDOSA-N 2 0 345.491 1.596 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)ccn1 ZINC000996995384 703252036 /nfs/dbraw/zinc/25/20/36/703252036.db2.gz OEPUMWVVFJWISN-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)co1 ZINC000997002432 703258956 /nfs/dbraw/zinc/25/89/56/703258956.db2.gz WIINMFHQKPOJBA-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]Cc2nnc(C3CC3)[nH]2)CC1 ZINC000997002352 703258978 /nfs/dbraw/zinc/25/89/78/703258978.db2.gz VLAQEIJAIBMGEH-CYBMUJFWSA-N 2 0 346.479 1.247 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)C[N@@H+]2CCC[C@H]2C)CC1)c1cnccn1 ZINC000997002312 703258981 /nfs/dbraw/zinc/25/89/81/703258981.db2.gz VHLUTGXJYQJQNA-CABCVRRESA-N 2 0 331.464 1.603 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC000997002654 703259176 /nfs/dbraw/zinc/25/91/76/703259176.db2.gz XTFUGQCOCLBWIT-KGLIPLIRSA-N 2 0 348.495 1.493 20 0 EDADRP CCc1nocc1C[NH2+]C1CCN(C(=O)[C@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997008972 703261687 /nfs/dbraw/zinc/26/16/87/703261687.db2.gz NPTVAOWWNAPLAJ-CJNGLKHVSA-N 2 0 334.464 1.515 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC([NH2+]Cc3ccc(CO)cc3)CC2)C1 ZINC000997008527 703266617 /nfs/dbraw/zinc/26/66/17/703266617.db2.gz VFEKFILPOWUCDE-INIZCTEOSA-N 2 0 345.487 1.601 20 0 EDADRP Cc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)CC2)o1 ZINC000997011420 703271681 /nfs/dbraw/zinc/27/16/81/703271681.db2.gz VIYCXRRXQKCOJQ-MLGOLLRUSA-N 2 0 334.464 1.570 20 0 EDADRP COc1cccc(C[NH2+]C2CCN(C(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)n1 ZINC000997012538 703272312 /nfs/dbraw/zinc/27/23/12/703272312.db2.gz XRQQEMPDULLUBB-PBHICJAKSA-N 2 0 346.475 1.369 20 0 EDADRP CC[C@@H](C(=O)N1CCC([NH2+]Cc2nn(C)cc2Cl)CC1)[NH+](C)C ZINC000997016812 703275488 /nfs/dbraw/zinc/27/54/88/703275488.db2.gz XZWUFOIYTBGJGF-HNNXBMFYSA-N 2 0 341.887 1.494 20 0 EDADRP CCc1noc([C@@H](C)NC2CCN(C(=O)Cc3cnc[nH]3)CC2)n1 ZINC000997037030 703288773 /nfs/dbraw/zinc/28/87/73/703288773.db2.gz QWQRLDVDGHXCOG-LLVKDONJSA-N 2 0 332.408 1.239 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1)c1nncn1C ZINC000997058480 703303744 /nfs/dbraw/zinc/30/37/44/703303744.db2.gz RLEUDYACKWCMQW-AWEZNQCLSA-N 2 0 348.495 1.189 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC000997115347 703369234 /nfs/dbraw/zinc/36/92/34/703369234.db2.gz MBDOZIHNWITXBC-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP Cn1ccc(-c2nc(C[NH2+]CCCC[NH+]3CCOCC3)cs2)n1 ZINC000921537440 703409753 /nfs/dbraw/zinc/40/97/53/703409753.db2.gz QGCABWZRESSEFC-UHFFFAOYSA-N 2 0 335.477 1.746 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC000997182554 703467618 /nfs/dbraw/zinc/46/76/18/703467618.db2.gz GRAYWKMTAFRBAB-OAHLLOKOSA-N 2 0 348.495 1.029 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)o1 ZINC000997180379 703470529 /nfs/dbraw/zinc/47/05/29/703470529.db2.gz QGPQNTOOUKAHFG-KGLIPLIRSA-N 2 0 349.479 1.615 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]C2CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000997185861 703475132 /nfs/dbraw/zinc/47/51/32/703475132.db2.gz SXTJGNMCBZJSJF-UONOGXRCSA-N 2 0 348.495 1.351 20 0 EDADRP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000997260185 703539740 /nfs/dbraw/zinc/53/97/40/703539740.db2.gz GKOBCGATJUVDBO-BPQIPLTHSA-N 2 0 337.508 1.866 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nc4ccccc4o3)CC2)C1 ZINC000997300484 703544084 /nfs/dbraw/zinc/54/40/84/703544084.db2.gz VUEDGPQJJZFUGL-CQSZACIVSA-N 2 0 342.443 1.860 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CCC([NH2+]Cc2cc(CO)ccc2F)CC1 ZINC000997302255 703545068 /nfs/dbraw/zinc/54/50/68/703545068.db2.gz KOOOUDDOVXAZMZ-UHFFFAOYSA-N 2 0 349.450 1.494 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C2CC[NH+](CCCO)CC2)C1 ZINC000997280527 703545833 /nfs/dbraw/zinc/54/58/33/703545833.db2.gz UZEVZKXAJMPXSQ-SJLPKXTDSA-N 2 0 339.524 1.708 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC000997298882 703556399 /nfs/dbraw/zinc/55/63/99/703556399.db2.gz KOFRUNWRDIEQTN-AWEZNQCLSA-N 2 0 332.448 1.123 20 0 EDADRP O=C(CC[NH+]1CCCCC1)N1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000997364970 703598207 /nfs/dbraw/zinc/59/82/07/703598207.db2.gz PBVKCHXRFGMNQL-KRWDZBQOSA-N 2 0 337.508 1.870 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]CCc2ccnn2C)CC1 ZINC000997366785 703600814 /nfs/dbraw/zinc/60/08/14/703600814.db2.gz KVEURUDOKACPAF-GOSISDBHSA-N 2 0 347.507 1.418 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2ncc(C)cn2)CC1 ZINC000997366800 703600833 /nfs/dbraw/zinc/60/08/33/703600833.db2.gz LQCSUMNNLCGXNX-KRWDZBQOSA-N 2 0 345.491 1.740 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCC1 ZINC000997368805 703609119 /nfs/dbraw/zinc/60/91/19/703609119.db2.gz LEKVUGVBNGGXGU-AEFFLSMTSA-N 2 0 337.508 1.724 20 0 EDADRP CCc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997614688 703912456 /nfs/dbraw/zinc/91/24/56/703912456.db2.gz RXNFAJNUMMLTMV-ZFWWWQNUSA-N 2 0 349.479 1.615 20 0 EDADRP CC[C@H](C(N)=O)[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004201430 703929315 /nfs/dbraw/zinc/92/93/15/703929315.db2.gz PKUKMALZAHOUMV-QGZVFWFLSA-N 2 0 346.475 1.206 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](CCc2cnn(C)c2)CC1 ZINC001004204045 703942165 /nfs/dbraw/zinc/94/21/65/703942165.db2.gz ODTGZHAAFYWPQZ-IYBDPMFKSA-N 2 0 347.507 1.416 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N[C@H]1CCC[NH+]2CCSC[C@H]12 ZINC000922547141 703953527 /nfs/dbraw/zinc/95/35/27/703953527.db2.gz OVLXGSJBROVWMB-HRCADAONSA-N 2 0 342.553 1.986 20 0 EDADRP Cc1ncc(C[NH2+][C@@H]2CN(C(=O)[C@H]3CCC[N@H+]3C)CC2(C)C)s1 ZINC000995551366 703956241 /nfs/dbraw/zinc/95/62/41/703956241.db2.gz MHGNYBIBQFVDHB-HUUCEWRRSA-N 2 0 336.505 1.872 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995552322 703959397 /nfs/dbraw/zinc/95/93/97/703959397.db2.gz QFCHBPKFKDLOEA-WBVHZDCISA-N 2 0 348.491 1.966 20 0 EDADRP Cc1nnsc1C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@H+]2C)CC1(C)C ZINC000995553716 703965471 /nfs/dbraw/zinc/96/54/71/703965471.db2.gz SVEJZKWSUKXYQG-OCCSQVGLSA-N 2 0 337.493 1.267 20 0 EDADRP Cc1cc(CN2CC[C@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)nn1C ZINC001033094937 704174122 /nfs/dbraw/zinc/17/41/22/704174122.db2.gz LFPDRJOIJMWGIT-HYVNUMGLSA-N 2 0 333.480 1.101 20 0 EDADRP C[N@H+](CCCCNC(=O)N[C@@H]1CCC[NH+]2CCSC[C@@H]12)C1CC1 ZINC000922808560 704384859 /nfs/dbraw/zinc/38/48/59/704384859.db2.gz CAMJMBJJWOCSCA-CVEARBPZSA-N 2 0 340.537 1.740 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@H]3C[NH+]4CCC3CC4)CC2)co1 ZINC000997785782 704690088 /nfs/dbraw/zinc/69/00/88/704690088.db2.gz XGTMKXZXBYVZSA-SFHVURJKSA-N 2 0 346.475 1.653 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1)c1nncn1C ZINC000997824135 704743564 /nfs/dbraw/zinc/74/35/64/704743564.db2.gz QMDFHEGDNNPDKY-CQSZACIVSA-N 2 0 348.495 1.189 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000997824772 704744439 /nfs/dbraw/zinc/74/44/39/704744439.db2.gz VGNIZIHCCRTRIF-UHFFFAOYSA-N 2 0 333.480 1.233 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C[NH2+]Cc2cnns2)CC1)C1CCC1 ZINC000997831987 704750006 /nfs/dbraw/zinc/75/00/06/704750006.db2.gz WYUZPCBMDCVWEY-UHFFFAOYSA-N 2 0 337.493 1.351 20 0 EDADRP Cn1ccnc1C[NH2+]CC1CCN(C(=O)[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000997830711 704751113 /nfs/dbraw/zinc/75/11/13/704751113.db2.gz MTEXAMJDECCJKK-QGZVFWFLSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cn1 ZINC000997863492 704770444 /nfs/dbraw/zinc/77/04/44/704770444.db2.gz ADKPUQMLGLCZJZ-SFHVURJKSA-N 2 0 345.491 1.598 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH2+]Cc2csnn2)CC1 ZINC000997864522 704771234 /nfs/dbraw/zinc/77/12/34/704771234.db2.gz KILIVTWXONVMJE-HNNXBMFYSA-N 2 0 337.493 1.351 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)[C@H](C)C2)n1 ZINC000944946206 704798862 /nfs/dbraw/zinc/79/88/62/704798862.db2.gz VJAKILAEJZJRRJ-WBVHZDCISA-N 2 0 346.475 1.513 20 0 EDADRP Cc1nccn1CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000944965354 704836207 /nfs/dbraw/zinc/83/62/07/704836207.db2.gz RGCIBAXQTHSKOF-WMLDXEAASA-N 2 0 327.432 1.613 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncs2)CC1 ZINC000998077423 705297844 /nfs/dbraw/zinc/29/78/44/705297844.db2.gz FVCMGCJSEFQFLY-JSGCOSHPSA-N 2 0 337.493 1.064 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998081557 705301933 /nfs/dbraw/zinc/30/19/33/705301933.db2.gz JKLYYBDXSFVFDS-ZIAGYGMSSA-N 2 0 349.479 1.609 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998081613 705303283 /nfs/dbraw/zinc/30/32/83/705303283.db2.gz KQTBJISKEFPXNZ-FUHWJXTLSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CCC[C@H]3C)CC2)on1 ZINC000998082436 705309222 /nfs/dbraw/zinc/30/92/22/705309222.db2.gz OZXCNCIHAFCTQI-OAHLLOKOSA-N 2 0 334.464 1.796 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC000998084105 705314445 /nfs/dbraw/zinc/31/44/45/705314445.db2.gz ZQSZHUVDULBUCW-BBRMVZONSA-N 2 0 334.464 1.509 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998217664 705540153 /nfs/dbraw/zinc/54/01/53/705540153.db2.gz PYHVOICVEGNMKF-BBRMVZONSA-N 2 0 348.495 1.344 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C34CC[NH+](CC3)C4)CC2)ncn1 ZINC000998221797 705548014 /nfs/dbraw/zinc/54/80/14/705548014.db2.gz HNXOZMWJSCGCPQ-UHFFFAOYSA-N 2 0 343.475 1.209 20 0 EDADRP CCc1nocc1C[NH2+]CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000998223154 705550213 /nfs/dbraw/zinc/55/02/13/705550213.db2.gz OBGLGOQETZCOLP-UHFFFAOYSA-N 2 0 346.475 1.661 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC000998263911 705633951 /nfs/dbraw/zinc/63/39/51/705633951.db2.gz BDUUQDIJBHUKGY-HIFRSBDPSA-N 2 0 348.495 1.208 20 0 EDADRP CCc1noc([C@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)n1 ZINC000998265951 705637540 /nfs/dbraw/zinc/63/75/40/705637540.db2.gz NHEJKACZQRZMFN-ZFWWWQNUSA-N 2 0 349.479 1.473 20 0 EDADRP COc1cc(C[NH2+]CC2CCN(C(=O)C[NH+]3CCCC3)CC2)ccn1 ZINC000998268655 705644948 /nfs/dbraw/zinc/64/49/48/705644948.db2.gz HWDHMIQQHQBMDO-UHFFFAOYSA-N 2 0 346.475 1.514 20 0 EDADRP CC(C)Cn1ncnc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998550407 705987215 /nfs/dbraw/zinc/98/72/15/705987215.db2.gz LZGSNKOKMKCZEC-UYSNPLJNSA-N 2 0 348.495 1.107 20 0 EDADRP CCc1onc(C)c1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998550763 705987609 /nfs/dbraw/zinc/98/76/09/705987609.db2.gz PFNUQXDPVYAWKE-ZBCRRDGASA-N 2 0 334.464 1.719 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH2+]Cc2ccc(CO)cc2)C1 ZINC000998719024 706150872 /nfs/dbraw/zinc/15/08/72/706150872.db2.gz DVXKZYFIKRVOSL-ROUUACIJSA-N 2 0 331.460 1.354 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]Cc2nncn2C)C1 ZINC000998771434 706213380 /nfs/dbraw/zinc/21/33/80/706213380.db2.gz VQVOXDZILGDSMA-UHFFFAOYSA-N 2 0 348.495 1.159 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998771523 706213453 /nfs/dbraw/zinc/21/34/53/706213453.db2.gz XMCATEURNXKUEO-UHFFFAOYSA-N 2 0 347.507 1.764 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)cn1 ZINC000998780572 706221621 /nfs/dbraw/zinc/22/16/21/706221621.db2.gz QCZSVAJWUDFPKG-VMWRSERWSA-N 2 0 343.475 1.206 20 0 EDADRP CCn1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC000998792446 706238916 /nfs/dbraw/zinc/23/89/16/706238916.db2.gz XMSCEWOCFQOWLT-LHUBUQBQSA-N 2 0 333.480 1.322 20 0 EDADRP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000998796693 706243475 /nfs/dbraw/zinc/24/34/75/706243475.db2.gz QVFHHZKDSLFKEK-XSCHDIRWSA-N 2 0 336.505 1.871 20 0 EDADRP CCn1ccnc1C[NH2+][C@@H]1CCCN(C(=O)CCc2ncc[nH]2)C1 ZINC000999035058 706449552 /nfs/dbraw/zinc/44/95/52/706449552.db2.gz LBDQYNZHVIMWOX-CQSZACIVSA-N 2 0 330.436 1.340 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC000999150914 706565505 /nfs/dbraw/zinc/56/55/05/706565505.db2.gz DQADXDDLHOVULI-INIZCTEOSA-N 2 0 347.507 1.765 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@H]3CCOC3)C[C@H]2CC1 ZINC000946518122 706574958 /nfs/dbraw/zinc/57/49/58/706574958.db2.gz OELPMVWZHZIWKG-OKYOBFRVSA-N 2 0 349.519 1.678 20 0 EDADRP Cc1nccnc1C[NH2+][C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999354750 706843864 /nfs/dbraw/zinc/84/38/64/706843864.db2.gz RRWDKEVXPQPFTO-OAHLLOKOSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1ccncc1C[NH2+][C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC000999348354 706860659 /nfs/dbraw/zinc/86/06/59/706860659.db2.gz NZAZZCURTYWJSG-KRWDZBQOSA-N 2 0 330.476 1.955 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1)C1CC1 ZINC000999376507 706871004 /nfs/dbraw/zinc/87/10/04/706871004.db2.gz WGSWNOGHTAKNOS-GOEBONIOSA-N 2 0 336.505 1.606 20 0 EDADRP C[N@H+](CC(=O)N1CCC[C@@H]([NH2+]Cc2cncc(F)c2)C1)C1CCC1 ZINC000999364340 706877953 /nfs/dbraw/zinc/87/79/53/706877953.db2.gz MJYHUVQZSRKTDY-MRXNPFEDSA-N 2 0 334.439 1.786 20 0 EDADRP C[NH+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]Cc2cncc(F)c2)C1)C1CC1 ZINC000999372066 706886645 /nfs/dbraw/zinc/88/66/45/706886645.db2.gz OAHSSJXGXLVDJF-IRXDYDNUSA-N 2 0 334.439 1.642 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2)on1 ZINC000999419865 706908138 /nfs/dbraw/zinc/90/81/38/706908138.db2.gz GBQHRRPHJMOYDL-CJNGLKHVSA-N 2 0 338.452 1.350 20 0 EDADRP Cc1noc(C)c1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999405741 706914808 /nfs/dbraw/zinc/91/48/08/706914808.db2.gz GZYUGGHLFMLXTK-JQRITLKVSA-N 2 0 334.464 1.855 20 0 EDADRP Cc1ncsc1C[NH2+]C1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC000999682948 707168310 /nfs/dbraw/zinc/16/83/10/707168310.db2.gz UEUSBYPOVSPREB-NFOMZHRRSA-N 2 0 336.505 1.872 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@@H](N(C)C(=O)Cn3cncc3C)C2)C1 ZINC001033265678 707289617 /nfs/dbraw/zinc/28/96/17/707289617.db2.gz IHRBZOBNYSDZDT-AQFXKWCLSA-N 2 0 334.464 1.539 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cnc(C)o3)C[C@H]2CC1)[NH+](C)C ZINC000946784767 707314681 /nfs/dbraw/zinc/31/46/81/707314681.db2.gz SOIQVXHLXOJNBN-JZXOWHBKSA-N 2 0 348.491 1.994 20 0 EDADRP CN(C)c1cccc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3CC[N@H+](C)C3)C2)c1 ZINC000999838902 707411463 /nfs/dbraw/zinc/41/14/63/707411463.db2.gz YXJAHRFBSOOTFS-LRYGQEGESA-N 2 0 344.503 1.783 20 0 EDADRP Cc1cc(CN2CC[C@H](N(C)C(=O)[C@H]3CCCC[N@@H+]3C)C2)sn1 ZINC001033194073 707430005 /nfs/dbraw/zinc/43/00/05/707430005.db2.gz BCXMMHHRVYFGJB-GOEBONIOSA-N 2 0 336.505 1.969 20 0 EDADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@@H]1CCCCN1C(=O)CCc1ncc[nH]1 ZINC001004846754 707465585 /nfs/dbraw/zinc/46/55/85/707465585.db2.gz LWKBBWNOOXUYKW-HIFRSBDPSA-N 2 0 345.451 1.030 20 0 EDADRP CC(C)Cc1noc(CNC2CC(N(C)C(=O)[C@H]3CC[N@H+](C)C3)C2)n1 ZINC000999836186 707471110 /nfs/dbraw/zinc/47/11/10/707471110.db2.gz IGWNQBYUSNWYMD-NFOMZHRRSA-N 2 0 349.479 1.299 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CC[N@H+](C[C@@H]2CCCCO2)C1 ZINC001033319407 707497877 /nfs/dbraw/zinc/49/78/77/707497877.db2.gz PUCKQPLMWABXHC-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP C[C@@H]([NH2+]Cc1cnnn1C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004882006 707530020 /nfs/dbraw/zinc/53/00/20/707530020.db2.gz ZASBMBKXLUOCSO-RHSMWYFYSA-N 2 0 348.495 1.159 20 0 EDADRP C[C@H](NCc1ncnn1C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004875743 707541689 /nfs/dbraw/zinc/54/16/89/707541689.db2.gz HAPWTFZJASHLLQ-HOCLYGCPSA-N 2 0 348.495 1.159 20 0 EDADRP C[C@@H]([NH2+]Cc1cncn1C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001004932349 707695398 /nfs/dbraw/zinc/69/53/98/707695398.db2.gz ZGXQSPUDBQRMEN-CRAIPNDOSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@H](N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001033415899 707793720 /nfs/dbraw/zinc/79/37/20/707793720.db2.gz MGHZMDMZBZZEAU-SJORKVTESA-N 2 0 330.476 1.907 20 0 EDADRP CN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033416377 707795583 /nfs/dbraw/zinc/79/55/83/707795583.db2.gz PEOYVVQNFRLRTG-PBHICJAKSA-N 2 0 329.460 1.114 20 0 EDADRP C[C@@H]([NH2+]Cc1ccn(C)n1)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004975630 707808729 /nfs/dbraw/zinc/80/87/29/707808729.db2.gz DKYVAIOCYHSGTM-NVXWUHKLSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC001033227260 707842448 /nfs/dbraw/zinc/84/24/48/707842448.db2.gz CDYUOWXBUCBOPD-ROUUACIJSA-N 2 0 349.519 1.964 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@H]1CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC001033425391 707844667 /nfs/dbraw/zinc/84/46/67/707844667.db2.gz IVALMFXATYHUBJ-SJORKVTESA-N 2 0 337.508 1.678 20 0 EDADRP Cc1nccnc1CN1CC[C@H](N(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001033225274 707849966 /nfs/dbraw/zinc/84/99/66/707849966.db2.gz DCENLYJXMQDDQT-INIZCTEOSA-N 2 0 343.475 1.446 20 0 EDADRP CN(C(=O)C[NH+]1CCC(C)(C)C1)[C@@H]1CC[N@H+](CC[C@H]2CCCO2)C1 ZINC001033427094 707850083 /nfs/dbraw/zinc/85/00/83/707850083.db2.gz XRHYAHXHOOVMSQ-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004982021 707860366 /nfs/dbraw/zinc/86/03/66/707860366.db2.gz OGPUPXZNXQIKEV-GOEBONIOSA-N 2 0 346.475 1.938 20 0 EDADRP Cc1ncc(CN2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+]2CCCCC2)o1 ZINC001032801137 708082312 /nfs/dbraw/zinc/08/23/12/708082312.db2.gz MBHRYJBLPDSUKX-HOTGVXAUSA-N 2 0 332.448 1.644 20 0 EDADRP O=C(C[NH+]1CCCC1)N1CC[C@]2(C1)CCC[N@H+](CC[C@H]1CCCO1)C2 ZINC001040531621 708082863 /nfs/dbraw/zinc/08/28/63/708082863.db2.gz QKCFNXRFEPNCNZ-UYAOXDASSA-N 2 0 349.519 1.966 20 0 EDADRP Cc1nc(CN2CCC(N(C)C(=O)[C@H]3CCC[N@@H+]3C)CC2)cs1 ZINC001005185531 708128133 /nfs/dbraw/zinc/12/81/33/708128133.db2.gz SIAHSYIWMJVRQZ-MRXNPFEDSA-N 2 0 336.505 1.969 20 0 EDADRP CC1CC[NH+](CC(=O)N(C)[C@@H]2CC[N@H+](CCc3cnn(C)c3)C2)CC1 ZINC001033530696 708153029 /nfs/dbraw/zinc/15/30/29/708153029.db2.gz GKGYEWXGXXSMEO-GOSISDBHSA-N 2 0 347.507 1.227 20 0 EDADRP Cc1cccnc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033583977 708308865 /nfs/dbraw/zinc/30/88/65/708308865.db2.gz ZKLIIJHSRNAHMW-SJORKVTESA-N 2 0 330.476 1.765 20 0 EDADRP Cc1cc(C[NH+]2CCC(CNC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)on1 ZINC001001831834 708335437 /nfs/dbraw/zinc/33/54/37/708335437.db2.gz ARELXFLVOLMCRB-GUYCJALGSA-N 2 0 334.464 1.509 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000921849668 708405027 /nfs/dbraw/zinc/40/50/27/708405027.db2.gz PSZBZHGJJOZKKY-JQHSSLGASA-N 2 0 330.476 1.900 20 0 EDADRP Cc1nc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)s1 ZINC001033665081 708447753 /nfs/dbraw/zinc/44/77/53/708447753.db2.gz LFSYYMYHBCIBSA-LSDHHAIUSA-N 2 0 336.505 1.744 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CC[NH+](C)C3)C2)c(C)n1 ZINC001033666565 708451884 /nfs/dbraw/zinc/45/18/84/708451884.db2.gz YPDCPDZVXPUPSL-MSOLQXFVSA-N 2 0 330.476 1.683 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033690075 708520005 /nfs/dbraw/zinc/52/00/05/708520005.db2.gz PDSZQJOWWZCDAI-MSOLQXFVSA-N 2 0 337.508 1.820 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001002042760 708532874 /nfs/dbraw/zinc/53/28/74/708532874.db2.gz IOCHHRVCABQFFF-MRXNPFEDSA-N 2 0 346.475 1.626 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](C[C@@H](C)OC)CC1 ZINC001002157680 708672079 /nfs/dbraw/zinc/67/20/79/708672079.db2.gz KXWWRZOSOXNOAN-WBVHZDCISA-N 2 0 325.497 1.724 20 0 EDADRP Cc1ccc(C[NH+]2CCC(NC(=O)[C@H]3CCC[N@H+]3C)CC2)c(C)n1 ZINC001002480046 709030167 /nfs/dbraw/zinc/03/01/67/709030167.db2.gz LJQMEBARZAUAHC-GOSISDBHSA-N 2 0 330.476 1.873 20 0 EDADRP COCC[NH+]1CCC(N(C)C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001005475131 709111590 /nfs/dbraw/zinc/11/15/90/709111590.db2.gz MIDYQMQBVAVUOO-UHFFFAOYSA-N 2 0 339.505 1.993 20 0 EDADRP Cc1cc(C[NH2+]C[C@@H]2CCCN2C(=O)CC2CC[NH+](C)CC2)on1 ZINC001045227561 709209636 /nfs/dbraw/zinc/20/96/36/709209636.db2.gz DKJBZSKLAATDOA-INIZCTEOSA-N 2 0 334.464 1.796 20 0 EDADRP CCc1noc(C)c1C[N@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001034043426 709294162 /nfs/dbraw/zinc/29/41/62/709294162.db2.gz USUDGVFGFWSCCH-HZPDHXFCSA-N 2 0 348.491 1.920 20 0 EDADRP CCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCOc2ccccc2)C1 ZINC001034046157 709298758 /nfs/dbraw/zinc/29/87/58/709298758.db2.gz UYQTXNAEEKVMMP-ROUUACIJSA-N 2 0 345.487 1.940 20 0 EDADRP COCC[NH+]1CCC(N(C)C(=O)C[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005504456 709333900 /nfs/dbraw/zinc/33/39/00/709333900.db2.gz RQWRQGCDPCOOBF-KRWDZBQOSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1cncc(C[NH+]2CCCC[C@H](NC(=O)[C@@H]3CCC[N@H+]3C)C2)c1 ZINC001034138251 709388383 /nfs/dbraw/zinc/38/83/83/709388383.db2.gz OOXFIWLSUKZUCM-ROUUACIJSA-N 2 0 330.476 1.955 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCCC[NH+](CCC2CCOCC2)C1 ZINC001034130558 709400019 /nfs/dbraw/zinc/40/00/19/709400019.db2.gz IOYPKACSALIMJE-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1cccnc1C[NH+]1CCCC[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001034135602 709406532 /nfs/dbraw/zinc/40/65/32/709406532.db2.gz DLTMIYXGAGELEF-AEFFLSMTSA-N 2 0 330.476 1.955 20 0 EDADRP CC(C)(C(=O)N[C@H]1CCCC[N@H+](CCCO)C1)[NH+]1CCCCC1 ZINC001034213373 709564847 /nfs/dbraw/zinc/56/48/47/709564847.db2.gz XECYCLGYPIFBNH-INIZCTEOSA-N 2 0 325.497 1.604 20 0 EDADRP CC(C)CC[N@@H+]1CCCC[C@@H](NC(=O)[C@H]2C[NH+]3CC4CC3(C4)CO2)C1 ZINC001034319128 709768954 /nfs/dbraw/zinc/76/89/54/709768954.db2.gz GRHKRHUCDAUGOO-SFANZJOMSA-N 2 0 349.519 1.866 20 0 EDADRP CO[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)nc2)C12CCC2 ZINC000453101763 709896710 /nfs/dbraw/zinc/89/67/10/709896710.db2.gz ZHEGTMKANURMPZ-IRXDYDNUSA-N 2 0 330.476 1.881 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[N@H+](Cc3ccccn3)C2)CC1 ZINC001034385805 709914566 /nfs/dbraw/zinc/91/45/66/709914566.db2.gz OKIWKQYUUWYOAO-GOSISDBHSA-N 2 0 330.476 1.894 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3cnn(C)c3)C2)C1 ZINC001034394157 709930108 /nfs/dbraw/zinc/93/01/08/709930108.db2.gz JRIPZQIIOPYQFB-WMZOPIPTSA-N 2 0 347.507 1.275 20 0 EDADRP Cc1cccnc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034525874 710176788 /nfs/dbraw/zinc/17/67/88/710176788.db2.gz QRJGWUAJBLNICM-SJORKVTESA-N 2 0 330.476 1.812 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001034535184 710206862 /nfs/dbraw/zinc/20/68/62/710206862.db2.gz CJHNXOMGYJLWMJ-QAPCUYQASA-N 2 0 333.476 1.713 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)c1ccc2c[nH+]cn2c1 ZINC001003311273 710240206 /nfs/dbraw/zinc/24/02/06/710240206.db2.gz ZQHSIXAPAWDNMC-UHFFFAOYSA-N 2 0 338.415 1.425 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCC[N@H+]3C)CC2)n1 ZINC001034608795 710282191 /nfs/dbraw/zinc/28/21/91/710282191.db2.gz GWXHYROPTFELBL-KZNAEPCWSA-N 2 0 347.507 1.611 20 0 EDADRP CC(C)c1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)[nH]1 ZINC001034611580 710286049 /nfs/dbraw/zinc/28/60/49/710286049.db2.gz LTSZAUSANBSSFT-KKUMJFAQSA-N 2 0 348.495 1.539 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cnon2)CC1 ZINC001034642677 710318479 /nfs/dbraw/zinc/31/84/79/710318479.db2.gz IPIZIOSIYSAFJS-DZKIICNBSA-N 2 0 335.452 1.459 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cncn3C)CC2)CC[N@@H+]1C ZINC001034647284 710323618 /nfs/dbraw/zinc/32/36/18/710323618.db2.gz CPZNGUWBAWPUPZ-KCYZZUKISA-N 2 0 333.480 1.277 20 0 EDADRP Cc1nc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[NH+]4CCC3CC4)CC2)co1 ZINC001034648228 710324900 /nfs/dbraw/zinc/32/49/00/710324900.db2.gz FTNBLBXFOHDSEM-BQFCYCMXSA-N 2 0 346.475 1.842 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@H]3C)CC2)n1 ZINC001003626291 710455466 /nfs/dbraw/zinc/45/54/66/710455466.db2.gz APXGUAVKLXGRHX-MRXNPFEDSA-N 2 0 347.507 1.565 20 0 EDADRP COc1cccc(C[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)c1 ZINC001003634443 710462248 /nfs/dbraw/zinc/46/22/48/710462248.db2.gz KLNCJMOPZDVPSA-BEFAXECRSA-N 2 0 345.487 1.974 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000922220770 710470479 /nfs/dbraw/zinc/47/04/79/710470479.db2.gz ZVOLNAZQVLNMGI-UHFFFAOYSA-N 2 0 331.464 1.821 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cccn2)CC1 ZINC001034658994 710587903 /nfs/dbraw/zinc/58/79/03/710587903.db2.gz MXADJPNCUCCCII-BZSNNMDCSA-N 2 0 347.507 1.775 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]C[C@H]2CCOC2)CC1)C12CCC[NH+](CCC1)C2 ZINC001034670078 710605133 /nfs/dbraw/zinc/60/51/33/710605133.db2.gz BHDUSOHCJVUFEN-KZNAEPCWSA-N 2 0 349.519 1.916 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]C[C@H]2CCCOC2)CC1 ZINC001034673640 710611896 /nfs/dbraw/zinc/61/18/96/710611896.db2.gz DJYQTCDTACWRHF-TVFCKZIOSA-N 2 0 337.508 1.914 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001034674931 710626555 /nfs/dbraw/zinc/62/65/55/710626555.db2.gz VBGPJGDLGYKLAM-BFYDXBDKSA-N 2 0 333.480 1.421 20 0 EDADRP COCC[NH+]1CCC(NC(=O)c2cnn(-c3ccncc3)c2)CC1 ZINC001003853546 710715871 /nfs/dbraw/zinc/71/58/71/710715871.db2.gz MOMCHKBJGBGHEG-UHFFFAOYSA-N 2 0 329.404 1.108 20 0 EDADRP Cc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+]3CCC[C@H]3C)CC2)[nH]1 ZINC001034735343 710920458 /nfs/dbraw/zinc/92/04/58/710920458.db2.gz FSARVDXXBOADMS-OCVGTWLNSA-N 2 0 348.495 1.675 20 0 EDADRP CN(CCCC[NH+]1CCCCC1)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000922326729 710998462 /nfs/dbraw/zinc/99/84/62/710998462.db2.gz QWVXRHCFWSFOPY-UHFFFAOYSA-N 2 0 335.496 1.783 20 0 EDADRP C[C@H](O)C[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(-n3ccnc3)c2)CC1 ZINC001034768564 711027341 /nfs/dbraw/zinc/02/73/41/711027341.db2.gz IOKMEMVTGSCUBO-XIRDDKMYSA-N 2 0 342.443 1.884 20 0 EDADRP CC(C)n1ncnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001034790966 711103905 /nfs/dbraw/zinc/10/39/05/711103905.db2.gz CAEHCTADMRRFRN-JYJNAYRXSA-N 2 0 348.495 1.328 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001034791961 711117657 /nfs/dbraw/zinc/11/76/57/711117657.db2.gz ZXWQRTRHFNFLTJ-ULQDDVLXSA-N 2 0 330.476 1.859 20 0 EDADRP C[C@H]1C[C@@H](C[NH2+][C@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)CC2)CCO1 ZINC001034793892 711125110 /nfs/dbraw/zinc/12/51/10/711125110.db2.gz TWYWUSYTBTZKGK-XSLAGTTESA-N 2 0 337.508 1.914 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cc(CO)ccc1F ZINC001034885547 711290453 /nfs/dbraw/zinc/29/04/53/711290453.db2.gz VYFPFNBGZZGZFD-AEFFLSMTSA-N 2 0 349.450 1.493 20 0 EDADRP Cc1nocc1C[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001034934493 711360512 /nfs/dbraw/zinc/36/05/12/711360512.db2.gz OBPLKLVUMLYFSD-IAGOWNOFSA-N 2 0 334.464 1.936 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccn(C)n1 ZINC001034936293 711365150 /nfs/dbraw/zinc/36/51/50/711365150.db2.gz NJLCCPFWXPXDSJ-SJORKVTESA-N 2 0 333.480 1.374 20 0 EDADRP COc1ccc(C[NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@@H]3C(C)C)C[C@H]2O)cc1O ZINC000922388053 711429634 /nfs/dbraw/zinc/42/96/34/711429634.db2.gz NTHQVAGPIRKPQF-YCEFEEMOSA-N 2 0 334.460 1.970 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388811 711432653 /nfs/dbraw/zinc/43/26/53/711432653.db2.gz RLJDQIHAJVBMSF-YWTNHNAXSA-N 2 0 331.460 1.355 20 0 EDADRP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cnc3cnccn13)C2 ZINC000922385808 711445417 /nfs/dbraw/zinc/44/54/17/711445417.db2.gz AWHYCCRSLAGMLA-JOCBIADPSA-N 2 0 329.448 1.299 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NC2CC[NH+](C[C@@H]3CCC(F)(F)C3)CC2)C1 ZINC001004149116 711562879 /nfs/dbraw/zinc/56/28/79/711562879.db2.gz FNHITHUMHKLNTP-ZIAGYGMSSA-N 2 0 329.435 1.954 20 0 EDADRP CN(C(=O)[C@@H]1CCC[NH+]1C1CCOCC1)[C@@H]1CC[N@H+](CCCF)C1 ZINC001033139664 711936027 /nfs/dbraw/zinc/93/60/27/711936027.db2.gz HQYOGNIWPGYCSX-SJORKVTESA-N 2 0 341.471 1.522 20 0 EDADRP COCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCn4ccnc4C3)CC[C@@H]2C1 ZINC000946645305 712134535 /nfs/dbraw/zinc/13/45/35/712134535.db2.gz QUGZGZAQFHHACU-ZACQAIPSSA-N 2 0 346.475 1.262 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[C@@H]2CSCC[NH2+]2)c2ccccc2O1 ZINC000378198205 282123408 /nfs/dbraw/zinc/12/34/08/282123408.db2.gz AJGLAYOXSRGOHN-ZIAGYGMSSA-N 2 0 335.473 1.437 20 0 EDADRP CC(C)C[C@H]([NH2+][C@@H]1CCC12CCOCC2)C(=O)NCC[NH+](C)C ZINC000558623326 306241042 /nfs/dbraw/zinc/24/10/42/306241042.db2.gz XTNWGXREVWWWTB-JKSUJKDBSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NC[C@@H]2CCCC[N@@H+]2CCO)C1 ZINC000458505467 282189656 /nfs/dbraw/zinc/18/96/56/282189656.db2.gz NDKOFRDVAUGTGH-OAGGEKHMSA-N 2 0 326.485 1.005 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000166853073 530050650 /nfs/dbraw/zinc/05/06/50/530050650.db2.gz FVUMHGXCCUWSRM-HNNXBMFYSA-N 2 0 332.448 1.510 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000101974572 219177802 /nfs/dbraw/zinc/17/78/02/219177802.db2.gz RAHGSRUDZBOIRA-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000560541075 306273919 /nfs/dbraw/zinc/27/39/19/306273919.db2.gz NLHVFZOUYFKYTI-CQSZACIVSA-N 2 0 328.526 1.549 20 0 EDADRP CCS(=O)(=O)N1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000560549288 306274059 /nfs/dbraw/zinc/27/40/59/306274059.db2.gz XJMZXGTYHJONNQ-BBWFWOEESA-N 2 0 343.537 1.511 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000339275384 539705452 /nfs/dbraw/zinc/70/54/52/539705452.db2.gz RDEKXTWXPCRSAM-INIZCTEOSA-N 2 0 325.497 1.868 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NCCN1CCC([NH+](C)C)CC1 ZINC000340251866 539723455 /nfs/dbraw/zinc/72/34/55/539723455.db2.gz ONJYISSBTPTBFT-HNNXBMFYSA-N 2 0 327.517 1.042 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000418754958 295802084 /nfs/dbraw/zinc/80/20/84/295802084.db2.gz WUUYQBBYNPLZDC-UONOGXRCSA-N 2 0 330.423 1.644 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)CC2CC[NH+](C)CC2)CC1 ZINC000103615428 219317106 /nfs/dbraw/zinc/31/71/06/219317106.db2.gz MLAVKKOJNRSTRW-UHFFFAOYSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@]1(O)CCC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000179723016 233368188 /nfs/dbraw/zinc/36/81/88/233368188.db2.gz VQGUZLMWUDHRQS-HXUWFJFHSA-N 2 0 345.487 1.745 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000104532478 219393010 /nfs/dbraw/zinc/39/30/10/219393010.db2.gz HRKVURGHHUMSSQ-SFHVURJKSA-N 2 0 333.476 1.931 20 0 EDADRP Cn1cc(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)c([C@@H]2CCC[NH2+]C2)n1 ZINC000562809580 306309999 /nfs/dbraw/zinc/30/99/99/306309999.db2.gz CDUXCXIXJQGLJJ-UKRRQHHQSA-N 2 0 333.480 1.395 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000562982753 306314750 /nfs/dbraw/zinc/31/47/50/306314750.db2.gz JQUCFZOKLXTICZ-HDEZJCGLSA-N 2 0 348.495 1.119 20 0 EDADRP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2c[nH]nc2[C@H]2CCC[NH2+]C2)C1 ZINC000424148919 283064916 /nfs/dbraw/zinc/06/49/16/283064916.db2.gz VFLXZUOUDCEXMB-CABCVRRESA-N 2 0 333.480 1.681 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1)N1CCOCC1 ZINC000563271310 306325794 /nfs/dbraw/zinc/32/57/94/306325794.db2.gz PQOCHOXGCUOEOE-GOSISDBHSA-N 2 0 343.471 1.403 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](C(=O)NC)C2)CC1 ZINC000093361107 138293363 /nfs/dbraw/zinc/29/33/63/138293363.db2.gz YUTWTBACTZPKBY-GOSISDBHSA-N 2 0 344.503 1.787 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000123969508 138322638 /nfs/dbraw/zinc/32/26/38/138322638.db2.gz OSJVJONOSWRFID-HNNXBMFYSA-N 2 0 346.475 1.677 20 0 EDADRP COc1cc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@@H+]4C)c2cc1OC ZINC000413466781 304062200 /nfs/dbraw/zinc/06/22/00/304062200.db2.gz AOXAYQBKJBNCCN-QAPCUYQASA-N 2 0 329.400 1.771 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000107328026 283320166 /nfs/dbraw/zinc/32/01/66/283320166.db2.gz WJJKLFVGOKJNTA-HZPDHXFCSA-N 2 0 340.512 1.659 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CC12CCOCC2 ZINC000564655528 306362475 /nfs/dbraw/zinc/36/24/75/306362475.db2.gz MPXITHUCKMWWTI-PXNSSMCTSA-N 2 0 343.471 1.132 20 0 EDADRP Cc1cc(C)cc(OC[C@H](O)C[NH2+]C2CCN(CC[NH+](C)C)CC2)c1 ZINC000564792122 306364904 /nfs/dbraw/zinc/36/49/04/306364904.db2.gz CGUMRGBPVLEHPX-LJQANCHMSA-N 2 0 349.519 1.659 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000414002469 304093461 /nfs/dbraw/zinc/09/34/61/304093461.db2.gz AQDHYFBXYTWLKB-KRWDZBQOSA-N 2 0 330.476 1.409 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000414947909 283604418 /nfs/dbraw/zinc/60/44/18/283604418.db2.gz LKWKSGXLMVXICW-HOTGVXAUSA-N 2 0 332.448 1.334 20 0 EDADRP O=C(NCC1(N2CCOCC2)CCCCC1)[C@H]1CCn2cncc2C1 ZINC000130313067 223143415 /nfs/dbraw/zinc/14/34/15/223143415.db2.gz QSMSOCMPNOMQES-INIZCTEOSA-N 2 0 346.475 1.597 20 0 EDADRP CCC[C@@H]1C[NH2+]CCN1C(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000565529484 306386140 /nfs/dbraw/zinc/38/61/40/306386140.db2.gz NXKWCIXHEXKTTP-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP CCOc1ccccc1NC(=O)CC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000565717221 306389843 /nfs/dbraw/zinc/38/98/43/306389843.db2.gz SRYIURPBUSPFKU-MRXNPFEDSA-N 2 0 346.475 1.393 20 0 EDADRP CCc1oc(C[NH2+]CCCC[NH+]2CCN(C)CC2)cc1C(=O)OC ZINC000565787320 306392080 /nfs/dbraw/zinc/39/20/80/306392080.db2.gz DIQCDTOAZQRFMV-UHFFFAOYSA-N 2 0 337.464 1.746 20 0 EDADRP CC(C)[C@@H]1C[C@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)CS1 ZINC000414488481 304119096 /nfs/dbraw/zinc/11/90/96/304119096.db2.gz UIJAWWAMJDMROJ-IRXDYDNUSA-N 2 0 341.565 1.903 20 0 EDADRP C[NH+]1CCC(C[NH2+]Cc2cn3ccccc3n2)(N2CCOCC2)CC1 ZINC000414485919 304119210 /nfs/dbraw/zinc/11/92/10/304119210.db2.gz PYSWUTQIHABLKH-UHFFFAOYSA-N 2 0 343.475 1.221 20 0 EDADRP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000414520507 304121542 /nfs/dbraw/zinc/12/15/42/304121542.db2.gz DATDIQLGPPGQRL-UHFFFAOYSA-N 2 0 328.460 1.845 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000414703069 304129690 /nfs/dbraw/zinc/12/96/90/304129690.db2.gz LNHVRMQEACWLQY-OAHLLOKOSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@H](CNC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000414701680 304130030 /nfs/dbraw/zinc/13/00/30/304130030.db2.gz KNZWXVITVDMKRL-KFWWJZLASA-N 2 0 346.475 1.881 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000414733856 304134545 /nfs/dbraw/zinc/13/45/45/304134545.db2.gz DWJOLCBHKCOHLQ-HNNXBMFYSA-N 2 0 346.475 1.583 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000414740189 304135412 /nfs/dbraw/zinc/13/54/12/304135412.db2.gz JOCXUBHCPXUYIV-GJZGRUSLSA-N 2 0 346.475 1.581 20 0 EDADRP COc1ccc2c(c1)OCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)C2 ZINC000414759187 304137908 /nfs/dbraw/zinc/13/79/08/304137908.db2.gz DIAPBERQBMVORC-CQSZACIVSA-N 2 0 333.432 1.087 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCC[C@@]2(CO)Cc2ccccc2)C1 ZINC000414762108 304138315 /nfs/dbraw/zinc/13/83/15/304138315.db2.gz VKNXLXDUTNGNLU-ICSRJNTNSA-N 2 0 345.487 1.253 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+]CC[C@@H](C)[NH3+])CC2)cc1 ZINC000414828133 304145504 /nfs/dbraw/zinc/14/55/04/304145504.db2.gz ZAMZHARXVYNUJQ-CQSZACIVSA-N 2 0 325.478 1.475 20 0 EDADRP CC[C@@H]([NH3+])C[NH2+]C1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000414989306 304148246 /nfs/dbraw/zinc/14/82/46/304148246.db2.gz MYWYZYNUJVLQFI-CYBMUJFWSA-N 2 0 341.477 1.175 20 0 EDADRP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)n1 ZINC000414989754 304148874 /nfs/dbraw/zinc/14/88/74/304148874.db2.gz QYLHSNNKLRHGLE-HIFRSBDPSA-N 2 0 347.429 1.821 20 0 EDADRP COc1ccc(C)cc1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414995831 304149127 /nfs/dbraw/zinc/14/91/27/304149127.db2.gz WLFMDMVSFJIHRR-OAHLLOKOSA-N 2 0 331.382 1.929 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+][C@H](C)C[C@@H]2CCC[NH2+]2)CC1 ZINC000415076922 304157871 /nfs/dbraw/zinc/15/78/71/304157871.db2.gz GZKHOFQNHCANBN-APWZRJJASA-N 2 0 344.503 1.975 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000415080101 304158161 /nfs/dbraw/zinc/15/81/61/304158161.db2.gz ITNUTILMRQPFAA-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415089971 304158525 /nfs/dbraw/zinc/15/85/25/304158525.db2.gz ZLPYNVJDQXORNQ-UHFFFAOYSA-N 2 0 332.448 1.275 20 0 EDADRP NC(=O)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccc(F)cc1 ZINC000415100190 304160160 /nfs/dbraw/zinc/16/01/60/304160160.db2.gz HQTCSZGNGMPPQG-XOYOTBSWSA-N 2 0 333.451 1.980 20 0 EDADRP O=C(c1c[nH]nc1[C@@H]1CCC[NH2+]C1)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000424190039 296166494 /nfs/dbraw/zinc/16/64/94/296166494.db2.gz LNDTUAGSORBSDT-ZNMIVQPWSA-N 2 0 331.464 1.338 20 0 EDADRP Cc1ccsc1C[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000415132108 304162569 /nfs/dbraw/zinc/16/25/69/304162569.db2.gz AEUNWTSZCYZOSW-GJZGRUSLSA-N 2 0 334.489 1.777 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)cc1 ZINC000415139045 304163517 /nfs/dbraw/zinc/16/35/17/304163517.db2.gz HSKAIYYJPPGRHE-CJNGLKHVSA-N 2 0 330.432 1.040 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000236754662 139030408 /nfs/dbraw/zinc/03/04/08/139030408.db2.gz KOYHNBMYOMIPFQ-INIZCTEOSA-N 2 0 348.495 1.587 20 0 EDADRP CCC[C@H]([NH3+])C(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000236851225 139033341 /nfs/dbraw/zinc/03/33/41/139033341.db2.gz LIJUAWRHOJOIHC-SFHVURJKSA-N 2 0 332.492 1.832 20 0 EDADRP O=C(Nc1ccc2c(c1)C[NH2+]CCO2)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000415978818 284328302 /nfs/dbraw/zinc/32/83/02/284328302.db2.gz VPSIYLBQKWFCPG-INIZCTEOSA-N 2 0 348.447 1.137 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000237202283 139043922 /nfs/dbraw/zinc/04/39/22/139043922.db2.gz LTKFIWSSMAWRMS-MRXNPFEDSA-N 2 0 333.476 1.771 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CCCC[C@@H]3C[NH3+])cc2)CC1 ZINC000237214395 139044684 /nfs/dbraw/zinc/04/46/84/139044684.db2.gz ZMLRQWRYQJDBDQ-MOPGFXCFSA-N 2 0 344.503 1.681 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)C3CC[NH2+]CC3)cc2)C[C@@H](C)O1 ZINC000237417144 139050627 /nfs/dbraw/zinc/05/06/27/139050627.db2.gz IDXRSHWKHNGGEP-HZPDHXFCSA-N 2 0 345.487 1.912 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415186226 304172572 /nfs/dbraw/zinc/17/25/72/304172572.db2.gz MZPDEKXSAGCUKJ-UHFFFAOYSA-N 2 0 334.464 1.535 20 0 EDADRP C[C@H](CC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1)C1CC[NH2+]CC1 ZINC000237601014 139055239 /nfs/dbraw/zinc/05/52/39/139055239.db2.gz LDMRLTPKUSKLKU-CVEARBPZSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)cc1 ZINC000415232768 304177372 /nfs/dbraw/zinc/17/73/72/304177372.db2.gz QZTUEJHGMCLRSR-PBHICJAKSA-N 2 0 344.459 1.430 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC3(CC2)OCCO3)C[C@H]1n1ccnc1 ZINC000245685582 139083123 /nfs/dbraw/zinc/08/31/23/139083123.db2.gz POXJVKORWXPNKR-HZPDHXFCSA-N 2 0 348.447 1.132 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N2CCC[C@@H]([NH+](C)C)C2)C[C@@H](C)O1 ZINC000246416247 139107504 /nfs/dbraw/zinc/10/75/04/139107504.db2.gz LQKAGYDQWQRFTK-BZUAXINKSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)C1 ZINC000415305071 304189793 /nfs/dbraw/zinc/18/97/93/304189793.db2.gz UXBDJRDMKJRFFL-MRXNPFEDSA-N 2 0 344.459 1.082 20 0 EDADRP CN(C(=O)[C@H]1CN(Cc2ccccc2)CCO1)[C@H]1CCC[N@H+](C)C1 ZINC000247244669 139142268 /nfs/dbraw/zinc/14/22/68/139142268.db2.gz DKYAOXYNWBXVDI-ZWKOTPCHSA-N 2 0 331.460 1.440 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC2(O)CCC2)CC1 ZINC000411292435 250498020 /nfs/dbraw/zinc/49/80/20/250498020.db2.gz MLYVAONROBNMPH-UHFFFAOYSA-N 2 0 339.524 1.708 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@H]([NH3+])C2CCOCC2)CC[N@@H+]1Cc1ccccc1 ZINC000261603088 139209967 /nfs/dbraw/zinc/20/99/67/139209967.db2.gz ACSSJFIIGYRGTM-VQIMIIECSA-N 2 0 345.487 1.863 20 0 EDADRP CN(CC(=O)N1CC[NH2+]CC1)Cc1ccc(OC(F)(F)F)cc1 ZINC000261627285 139212450 /nfs/dbraw/zinc/21/24/50/139212450.db2.gz BNSZKFKEIBYVBO-UHFFFAOYSA-N 2 0 331.338 1.449 20 0 EDADRP C[C@H](C(=O)N(C)C[C@@H]1COc2ccccc2O1)N1CC[C@@](C)(C[NH3+])C1 ZINC000261653423 139214682 /nfs/dbraw/zinc/21/46/82/139214682.db2.gz FFYSDWVWTSSXAU-CLCXKQKWSA-N 2 0 347.459 1.344 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]([NH3+])C1CCOCC1)c1ccccc1 ZINC000261669358 139215857 /nfs/dbraw/zinc/21/58/57/139215857.db2.gz GEUOXKQABWKQNX-ROUUACIJSA-N 2 0 333.476 1.940 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)[NH+]2CCCC2)c1 ZINC000261711931 139219602 /nfs/dbraw/zinc/21/96/02/139219602.db2.gz ITASRVDIALURGE-SQNIBIBYSA-N 2 0 347.459 1.455 20 0 EDADRP [NH3+]C1(C(=O)NCc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000261689667 139217865 /nfs/dbraw/zinc/21/78/65/139217865.db2.gz DBFVQQRRBXRIPH-UHFFFAOYSA-N 2 0 347.459 1.285 20 0 EDADRP O=C(CN1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc2c(c1)OCO2 ZINC000261756619 139223545 /nfs/dbraw/zinc/22/35/45/139223545.db2.gz VGPOIBXWXGGLNY-HNNXBMFYSA-N 2 0 331.416 1.818 20 0 EDADRP CCn1nc(C[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c2ccccc21 ZINC000261779422 139225400 /nfs/dbraw/zinc/22/54/00/139225400.db2.gz XTXVNRHNRPHRPO-AWEZNQCLSA-N 2 0 329.448 1.343 20 0 EDADRP [NH3+]C1(C(=O)NC[C@H]2CCC[N@H+](Cc3cccs3)C2)CCOCC1 ZINC000261780165 139225411 /nfs/dbraw/zinc/22/54/11/139225411.db2.gz HISCNYBCBBHVKN-CQSZACIVSA-N 2 0 337.489 1.584 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)C(=O)N3CCC[C@H]3C[NH3+])ccc21 ZINC000415487359 304223911 /nfs/dbraw/zinc/22/39/11/304223911.db2.gz RSGVRXPTMNWKSR-HOCLYGCPSA-N 2 0 330.432 1.124 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(Cc2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000261940237 139238775 /nfs/dbraw/zinc/23/87/75/139238775.db2.gz LCTRDKDFWVBYQZ-HIFRSBDPSA-N 2 0 325.478 1.496 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261939732 139238782 /nfs/dbraw/zinc/23/87/82/139238782.db2.gz MPNHMNBNLBUVLK-KZNAEPCWSA-N 2 0 331.460 1.635 20 0 EDADRP CC(C)C[C@@](C)(C[NH3+])NS(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000261990868 139242337 /nfs/dbraw/zinc/24/23/37/139242337.db2.gz DVIQCTNSKGLDPY-INIZCTEOSA-N 2 0 327.494 1.790 20 0 EDADRP C[NH2+]CCC1CC[NH+](CC(=O)NCCOc2ccc(F)cc2)CC1 ZINC000262007760 139243562 /nfs/dbraw/zinc/24/35/62/139243562.db2.gz SDRYIYFIKXMJML-UHFFFAOYSA-N 2 0 337.439 1.642 20 0 EDADRP Cn1cnc2cc(C[N@@H+]3CCCC[C@H]3CNC(=O)CC[NH3+])ccc21 ZINC000262075220 139248796 /nfs/dbraw/zinc/24/87/96/139248796.db2.gz SLLCCXIIEXIIFP-HNNXBMFYSA-N 2 0 329.448 1.393 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2)C1)[C@H]1CCC[NH2+]1 ZINC000262128165 139253319 /nfs/dbraw/zinc/25/33/19/139253319.db2.gz CUEMRZGXOQOIOV-MAUKXSAKSA-N 2 0 349.450 1.785 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CNC(=O)[C@@H]([NH3+])C(C)C)cc1 ZINC000262129546 139253365 /nfs/dbraw/zinc/25/33/65/139253365.db2.gz NWDZGJZOLFFWDJ-WBVHZDCISA-N 2 0 334.464 1.026 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)C3(C[NH3+])CCOCC3)C2)CC1 ZINC000262137148 139254171 /nfs/dbraw/zinc/25/41/71/139254171.db2.gz GWHSVQSMXWCFCP-QGZVFWFLSA-N 2 0 337.508 1.712 20 0 EDADRP O=C(CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1)N1CC[NH2+]CC1 ZINC000262140787 139254479 /nfs/dbraw/zinc/25/44/79/139254479.db2.gz OQZLFGWUUVNCMR-UHFFFAOYSA-N 2 0 344.459 1.159 20 0 EDADRP COC(=O)[C@H](C)Oc1ccc(C[N@@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262184229 139258258 /nfs/dbraw/zinc/25/82/58/139258258.db2.gz XGUBLMXXVCQKCG-RDJZCZTQSA-N 2 0 347.459 1.106 20 0 EDADRP COc1ccc([C@H]2CCC[N@@H+]2CCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262224093 139261405 /nfs/dbraw/zinc/26/14/05/139261405.db2.gz UUVPQZPFHNOTTN-MRXNPFEDSA-N 2 0 347.459 1.663 20 0 EDADRP C[N@H+](CCCNC(=O)N[C@@H](CC[NH3+])C(F)F)Cc1ccccc1 ZINC000416874310 251114799 /nfs/dbraw/zinc/11/47/99/251114799.db2.gz PHNPGKKFJUTJSV-AWEZNQCLSA-N 2 0 328.407 1.790 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCO1 ZINC000416990599 251118757 /nfs/dbraw/zinc/11/87/57/251118757.db2.gz WWRQNDHJQWRWHN-SFHVURJKSA-N 2 0 346.475 1.542 20 0 EDADRP CC[C@@H](CNC(=O)NCC[NH2+]CCOC)[N@@H+]1CCc2ccccc2C1 ZINC000417008976 251128061 /nfs/dbraw/zinc/12/80/61/251128061.db2.gz JNWJUBWEEMNIBT-SFHVURJKSA-N 2 0 348.491 1.359 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N1CCC2(CC[NH2+]C2)CC1 ZINC000417009642 251129527 /nfs/dbraw/zinc/12/95/27/251129527.db2.gz NWTWDXSQKHUHFP-UHFFFAOYSA-N 2 0 342.487 1.830 20 0 EDADRP C[C@@H](CCC[NH3+])NC(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013653 251132908 /nfs/dbraw/zinc/13/29/08/251132908.db2.gz CXIPBPGJBMXOHM-KRWDZBQOSA-N 2 0 347.507 1.625 20 0 EDADRP C[C@@H](C[NH3+])N(C)C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417013732 251133183 /nfs/dbraw/zinc/13/31/83/251133183.db2.gz DGGFQTPTCCAEQM-INIZCTEOSA-N 2 0 333.480 1.187 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)Cc1ccccc1 ZINC000416997464 251122597 /nfs/dbraw/zinc/12/25/97/251122597.db2.gz AGSDCMMBKXLAMU-QZTJIDSGSA-N 2 0 348.491 1.227 20 0 EDADRP CC[N@H+](C)Cc1cccc(CNC(=O)N2C[C@H]3C[NH2+]CC[C@@H]3C2)c1 ZINC000417413246 251164632 /nfs/dbraw/zinc/16/46/32/251164632.db2.gz XPGIWWDZKGVSNZ-QZTJIDSGSA-N 2 0 330.476 1.889 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)C1 ZINC000417423524 251168254 /nfs/dbraw/zinc/16/82/54/251168254.db2.gz RLBPMSMPWCXRGE-CVEARBPZSA-N 2 0 334.464 1.976 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)NC[C@@H]1C[NH2+]CCCO1)c1ccco1 ZINC000417313145 251155554 /nfs/dbraw/zinc/15/55/54/251155554.db2.gz OVECHNLCAQLHQW-LSDHHAIUSA-N 2 0 338.452 1.340 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000417322632 251160282 /nfs/dbraw/zinc/16/02/82/251160282.db2.gz WEWXDWQXDTXWOK-FHLIZLRMSA-N 2 0 348.491 1.780 20 0 EDADRP C[C@H](C(=O)NC[C@H]1C[NH2+]C[C@H]1O)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000262344891 139271796 /nfs/dbraw/zinc/27/17/96/139271796.db2.gz TZWQNDRVEXTTFI-ATZDWAIDSA-N 2 0 345.487 1.026 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCC(O)CC2)cc1)N[C@@H]1CCC[NH2+]C1 ZINC000417550817 251187421 /nfs/dbraw/zinc/18/74/21/251187421.db2.gz MJZJGYVKBWCRBR-QGZVFWFLSA-N 2 0 346.475 1.195 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000417567535 251190455 /nfs/dbraw/zinc/19/04/55/251190455.db2.gz NWISUJHRHXQKSF-QGZVFWFLSA-N 2 0 340.512 1.648 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000417566773 251191047 /nfs/dbraw/zinc/19/10/47/251191047.db2.gz MZHCIRLFJUSOTD-LSDHHAIUSA-N 2 0 326.485 1.175 20 0 EDADRP C[C@H](CNC(=O)C1(C[NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000262394230 139275932 /nfs/dbraw/zinc/27/59/32/139275932.db2.gz YDMFZDBDVZQDMF-OAHLLOKOSA-N 2 0 331.460 1.305 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)C[C@@H]3CCCC[C@H]3[NH3+])cc2)[nH]1 ZINC000417831404 251288542 /nfs/dbraw/zinc/28/85/42/251288542.db2.gz QSOOZYLHHSDSBV-GXTWGEPZSA-N 2 0 328.420 1.777 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)NCC1(C[NH+]2CCOCC2)CCCCC1 ZINC000417836123 251292019 /nfs/dbraw/zinc/29/20/19/251292019.db2.gz GYOIKDZUACLCKU-OAHLLOKOSA-N 2 0 326.485 1.306 20 0 EDADRP C[C@@H](NC(=O)N1CCC(OCCC[NH3+])CC1)C(C)(C)C[NH+](C)C ZINC000417847771 251295559 /nfs/dbraw/zinc/29/55/59/251295559.db2.gz AQBQTJKFBTVGRM-CQSZACIVSA-N 2 0 328.501 1.502 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)c1c[nH]nc1[C@H]1CCC[NH2+]C1 ZINC000417813868 251279825 /nfs/dbraw/zinc/27/98/25/251279825.db2.gz AJSLJRHADIHZQR-WMLDXEAASA-N 2 0 339.443 1.494 20 0 EDADRP CC[N@H+](CCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1)CCC(F)(F)F ZINC000418078652 251320261 /nfs/dbraw/zinc/32/02/61/251320261.db2.gz OPSWAHQIJDHOSZ-AVGNSLFASA-N 2 0 336.402 1.639 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)NC[C@@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000418109376 251325606 /nfs/dbraw/zinc/32/56/06/251325606.db2.gz CMYJGRMSIWUJRE-INIZCTEOSA-N 2 0 338.496 1.543 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H](C)C[NH3+])CC1 ZINC000418476179 251373975 /nfs/dbraw/zinc/37/39/75/251373975.db2.gz SDUNKBSICKNFNC-HNNXBMFYSA-N 2 0 328.501 1.361 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000418128268 251336744 /nfs/dbraw/zinc/33/67/44/251336744.db2.gz APNDTBFBRFHTOR-QAPCUYQASA-N 2 0 330.476 1.900 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)NC1CCC([NH3+])CC1 ZINC000418199842 251356506 /nfs/dbraw/zinc/35/65/06/251356506.db2.gz XTJHQZGDQFZPAN-UHFFFAOYSA-N 2 0 349.479 1.481 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418319165 251359824 /nfs/dbraw/zinc/35/98/24/251359824.db2.gz OJCJTJJZCRPJIR-INIZCTEOSA-N 2 0 336.455 1.899 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000418348089 251362526 /nfs/dbraw/zinc/36/25/26/251362526.db2.gz RAZFSCFKAUVIHZ-YESZJQIVSA-N 2 0 340.512 1.517 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418531478 251378043 /nfs/dbraw/zinc/37/80/43/251378043.db2.gz XIPDEGKQSJANDY-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000418640637 251381786 /nfs/dbraw/zinc/38/17/86/251381786.db2.gz RBXTZRGGSOKDCK-FHLIZLRMSA-N 2 0 330.476 1.855 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC[N@@H+]1Cc1ccccc1 ZINC000418678637 251383819 /nfs/dbraw/zinc/38/38/19/251383819.db2.gz WBYATGRUSGUPFL-BDXSIMOUSA-N 2 0 328.460 1.510 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000418701805 251387698 /nfs/dbraw/zinc/38/76/98/251387698.db2.gz DEKZZNNSPUHOOO-KURKYZTESA-N 2 0 330.476 1.887 20 0 EDADRP C[C@@H](CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C1CC[NH2+]CC1 ZINC000262656887 139293667 /nfs/dbraw/zinc/29/36/67/139293667.db2.gz CTXGKNLCPCNKLA-ZDUSSCGKSA-N 2 0 346.475 1.811 20 0 EDADRP C[C@H](CC(=O)Nc1cc(C(N)=O)ccc1C[NH+](C)C)C1CC[NH2+]CC1 ZINC000262656886 139293727 /nfs/dbraw/zinc/29/37/27/139293727.db2.gz CTXGKNLCPCNKLA-CYBMUJFWSA-N 2 0 346.475 1.811 20 0 EDADRP CC(C)Oc1ccc2[nH+]ccc(N(C)CC(=O)N3CC[NH2+]CC3)c2c1 ZINC000420148106 251615880 /nfs/dbraw/zinc/61/58/80/251615880.db2.gz DWKJZPQPRUYYEC-UHFFFAOYSA-N 2 0 342.443 1.890 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)C[NH2+]CC2CC2)CC1)Cc1ccccc1 ZINC000262667395 139294814 /nfs/dbraw/zinc/29/48/14/139294814.db2.gz QAGZCLWESGGEMX-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP CN(C(=O)CN1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)C1CCCCC1 ZINC000420326882 251673802 /nfs/dbraw/zinc/67/38/02/251673802.db2.gz XUZMGWGUSPRQPQ-KRWDZBQOSA-N 2 0 336.524 1.395 20 0 EDADRP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000262716381 139298622 /nfs/dbraw/zinc/29/86/22/139298622.db2.gz VPHPWMIPPTULSK-SFHVURJKSA-N 2 0 334.464 1.112 20 0 EDADRP COc1cc(C)c(S(=O)(=O)N(CCC[NH3+])CCC[NH3+])cc1C ZINC000420453012 251725884 /nfs/dbraw/zinc/72/58/84/251725884.db2.gz JRYWWUWYSBTCNY-UHFFFAOYSA-N 2 0 329.466 1.000 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)C[C@H](C[NH3+])OC ZINC000262770381 139302348 /nfs/dbraw/zinc/30/23/48/139302348.db2.gz BFOBKFQFTWANHJ-CQSZACIVSA-N 2 0 347.463 1.680 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)C[C@H]2CSCC[NH2+]2)C1 ZINC000262850547 139307847 /nfs/dbraw/zinc/30/78/47/139307847.db2.gz ZOASLBTXYRBVIW-GJZGRUSLSA-N 2 0 329.510 1.041 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CC[NH2+]C[C@@H]3C)CC2)c1 ZINC000262864932 139308998 /nfs/dbraw/zinc/30/89/98/139308998.db2.gz ULLDXQHXLZQIGY-HKUYNNGSSA-N 2 0 344.503 1.621 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000422886489 252011959 /nfs/dbraw/zinc/01/19/59/252011959.db2.gz JERQUVWZTXTMOD-HDMKZQKVSA-N 3 0 332.492 1.599 20 0 EDADRP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422852407 252000797 /nfs/dbraw/zinc/00/07/97/252000797.db2.gz AJEGNJVVQZEMCH-WCFLWFBJSA-N 2 0 333.354 1.865 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CCN2CCCC[C@H]2C)CC[NH2+]CC1 ZINC000422868793 252004847 /nfs/dbraw/zinc/00/48/47/252004847.db2.gz WCBMSWSHZJGIIK-HZPDHXFCSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]CCOc1cccc(C(F)(F)F)n1 ZINC000423009296 252026136 /nfs/dbraw/zinc/02/61/36/252026136.db2.gz CNFCBNRHWISOBK-TUAOUCFPSA-N 2 0 333.354 1.821 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H](C)[C@H](C[NH3+])C3)cc2)CC1 ZINC000424005350 252112983 /nfs/dbraw/zinc/11/29/83/252112983.db2.gz STCAIBFWMAQPNW-FUHWJXTLSA-N 2 0 344.503 1.885 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)c2ccc(Nc3cc[nH+]cc3)cc2)CCCO1 ZINC000424020991 252115833 /nfs/dbraw/zinc/11/58/33/252115833.db2.gz NCGIGVWRKOCOCV-KRWDZBQOSA-N 2 0 326.400 1.437 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424025532 252117059 /nfs/dbraw/zinc/11/70/59/252117059.db2.gz ZHBXBTAHOPZMLN-WMZOPIPTSA-N 3 0 344.503 1.484 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2cccc(-n3ccnn3)c2)CC1 ZINC000423789194 252074871 /nfs/dbraw/zinc/07/48/71/252074871.db2.gz STLPNRCOAIUJOU-UHFFFAOYSA-N 2 0 328.420 1.409 20 0 EDADRP C[C@@]1([NH3+])CCCC[C@H]1C(=O)N1CCC(n2ncc3c2C[NH2+]C3)CC1 ZINC000424228978 252170974 /nfs/dbraw/zinc/17/09/74/252170974.db2.gz YDQLUYMEULRCDU-MAUKXSAKSA-N 2 0 331.464 1.557 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424130321 252133574 /nfs/dbraw/zinc/13/35/74/252133574.db2.gz DZPTVBDJDQQAHM-CABCVRRESA-N 2 0 334.468 1.197 20 0 EDADRP CNc1cc(N2CCC[C@@H]2C[NH2+]C2CC(CC(=O)OC)C2)ncn1 ZINC000424305663 252193436 /nfs/dbraw/zinc/19/34/36/252193436.db2.gz SSMJBJCYTXMPLR-JXQTWKCFSA-N 2 0 333.436 1.418 20 0 EDADRP CNc1cc(N2CCC[C@H]2C[NH2+]C2CC(CC(=O)OC)C2)ncn1 ZINC000424305664 252194091 /nfs/dbraw/zinc/19/40/91/252194091.db2.gz SSMJBJCYTXMPLR-RUXDESIVSA-N 2 0 333.436 1.418 20 0 EDADRP O=C(N[C@@H]1CCC[NH2+]C1)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424482187 252248977 /nfs/dbraw/zinc/24/89/77/252248977.db2.gz SZJIDBRHOPJSPR-RCCFBDPRSA-N 2 0 328.460 1.654 20 0 EDADRP O=S(=O)(C1CC1)N1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000329166157 285035105 /nfs/dbraw/zinc/03/51/05/285035105.db2.gz HXQMGYJTAASHCH-KFWWJZLASA-N 2 0 327.494 1.159 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000378269392 285035936 /nfs/dbraw/zinc/03/59/36/285035936.db2.gz GQTDDEIDRGAKRY-GOEBONIOSA-N 2 0 329.510 1.041 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N[C@H](C)C[NH+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000349929664 285059359 /nfs/dbraw/zinc/05/93/59/285059359.db2.gz CKQUGRIRRDELAP-TWMKSMIVSA-N 2 0 340.512 1.373 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+](CC)CC)cc1 ZINC000415651155 304248118 /nfs/dbraw/zinc/24/81/18/304248118.db2.gz CBQZRGUNBMWQOP-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000112466517 220333030 /nfs/dbraw/zinc/33/30/30/220333030.db2.gz LKQQPJKILXHQEM-UHFFFAOYSA-N 2 0 340.512 1.472 20 0 EDADRP COC[C@H]([NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000183426775 533097575 /nfs/dbraw/zinc/09/75/75/533097575.db2.gz IFRABMKJJPSCQZ-LZQZEXGQSA-N 2 0 345.487 1.780 20 0 EDADRP COC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000262365490 285225849 /nfs/dbraw/zinc/22/58/49/285225849.db2.gz VZXCDGMSXWGDKN-RVKKMQEKSA-N 2 0 333.476 1.754 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@@H](c1ccsc1)[NH+](C)C ZINC000263773656 139359385 /nfs/dbraw/zinc/35/93/85/139359385.db2.gz NLFYKDDLOICRIW-AWEZNQCLSA-N 2 0 328.482 1.228 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCOCC[NH+](C)C)C1 ZINC000471646488 255015024 /nfs/dbraw/zinc/01/50/24/255015024.db2.gz VOBAZWDZSLQJGI-INIZCTEOSA-N 2 0 342.528 1.764 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000471646094 255015327 /nfs/dbraw/zinc/01/53/27/255015327.db2.gz SWKCGEPMWPUVPO-UHFFFAOYSA-N 2 0 340.512 1.518 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000337796068 285243571 /nfs/dbraw/zinc/24/35/71/285243571.db2.gz FLGMNHSEZZTNCU-IAGOWNOFSA-N 2 0 340.512 1.423 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@H]3CC[NH+](CC4CCCC4)C3)C2)C1 ZINC000489373640 255067810 /nfs/dbraw/zinc/06/78/10/255067810.db2.gz SLCHTIKFPZQQHA-PKOBYXMFSA-N 2 0 334.508 1.988 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(OC)cc1O ZINC000094082889 285249332 /nfs/dbraw/zinc/24/93/32/285249332.db2.gz TXYMYHCSJKXKDS-OAHLLOKOSA-N 2 0 349.475 1.889 20 0 EDADRP CN(C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC([NH3+])C1 ZINC000415785430 304270067 /nfs/dbraw/zinc/27/00/67/304270067.db2.gz GWLIXFQUICHPCL-UHFFFAOYSA-N 2 0 344.459 1.212 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000493991417 255230296 /nfs/dbraw/zinc/23/02/96/255230296.db2.gz HLHFQLUJYJTYIG-JKSUJKDBSA-N 2 0 338.540 1.624 20 0 EDADRP C[C@H]([NH3+])[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000493991412 255230482 /nfs/dbraw/zinc/23/04/82/255230482.db2.gz HLHFQLUJYJTYIG-HOTGVXAUSA-N 2 0 338.540 1.624 20 0 EDADRP C[C@H]([NH2+]CC1CC[NH+](CCO)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000495069509 255267917 /nfs/dbraw/zinc/26/79/17/255267917.db2.gz SXRGNGLGTAISJY-HNNXBMFYSA-N 2 0 333.476 1.743 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C)C1 ZINC000496119217 255354979 /nfs/dbraw/zinc/35/49/79/255354979.db2.gz FFSGQOAEPKIZPO-CYBMUJFWSA-N 2 0 327.473 1.357 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](C[NH2+]C[C@@](C)(O)CNC(=O)OC(C)(C)C)C1 ZINC000496164419 255359893 /nfs/dbraw/zinc/35/98/93/255359893.db2.gz BPADJVTVHSDICV-CRAIPNDOSA-N 2 0 343.512 1.972 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC(C)(C)O ZINC000361778677 285277771 /nfs/dbraw/zinc/27/77/71/285277771.db2.gz ICHMSJIEKTWUDG-HNNXBMFYSA-N 2 0 328.501 1.205 20 0 EDADRP COc1c(C)cnc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)c1C ZINC000171792283 533412067 /nfs/dbraw/zinc/41/20/67/533412067.db2.gz ZGKJAIWAUMEMQF-UHFFFAOYSA-N 2 0 348.491 1.597 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000166180368 533604172 /nfs/dbraw/zinc/60/41/72/533604172.db2.gz BBXHXXRMWRTNOU-CQSZACIVSA-N 2 0 325.478 1.324 20 0 EDADRP CN(C)c1ccnc(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000267172370 139587098 /nfs/dbraw/zinc/58/70/98/139587098.db2.gz MERDJKXRNJTQOK-UHFFFAOYSA-N 2 0 335.496 1.493 20 0 EDADRP C[NH+]1CCC(CC[NH2+]Cc2ccc(S(N)(=O)=O)c(Cl)c2)CC1 ZINC000331359616 141011362 /nfs/dbraw/zinc/01/13/62/141011362.db2.gz WSKYBPGTNPXLMI-UHFFFAOYSA-N 2 0 345.896 1.809 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000332520526 141195255 /nfs/dbraw/zinc/19/52/55/141195255.db2.gz KECOPGHYVYCQDV-SJORKVTESA-N 2 0 338.496 1.258 20 0 EDADRP O=C([C@@H]1CCn2ccnc2C1)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000333104117 141264679 /nfs/dbraw/zinc/26/46/79/141264679.db2.gz VXUHRHRJEATNRE-IAGOWNOFSA-N 2 0 346.475 1.549 20 0 EDADRP CC(C)[N@H+]1C[C@H](NC(=O)NCCN2CC[NH+](C)C(C)(C)C2)[C@@H](C)C1 ZINC000333315744 141297839 /nfs/dbraw/zinc/29/78/39/141297839.db2.gz OVGBHYJKCPCXCU-HOTGVXAUSA-N 2 0 339.528 1.040 20 0 EDADRP C[C@@H]1CN(C(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1CC(C)(C)O ZINC000333399976 141311715 /nfs/dbraw/zinc/31/17/15/141311715.db2.gz YPMBIGIEKIHBPP-CQSZACIVSA-N 2 0 346.475 1.641 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)N[C@H]3CCC[NH2+]C3)CC2)C[C@H](C)O1 ZINC000333481113 141324348 /nfs/dbraw/zinc/32/43/48/141324348.db2.gz CBXQCJMYNORVAY-UXLLHSPISA-N 2 0 338.496 1.269 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[C@@H]1[NH3+] ZINC000333570974 141338747 /nfs/dbraw/zinc/33/87/47/141338747.db2.gz MKZOKXMGPDOCDB-PBHICJAKSA-N 2 0 331.464 1.677 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[C@H]1C[NH3+] ZINC000333580547 141340121 /nfs/dbraw/zinc/34/01/21/141340121.db2.gz NQWOJJGBWUHXOH-NVXWUHKLSA-N 2 0 345.491 1.924 20 0 EDADRP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](C)CC2)C1 ZINC000339277024 142001321 /nfs/dbraw/zinc/00/13/21/142001321.db2.gz WKXDEFIZQLLUSW-HOTGVXAUSA-N 2 0 326.481 1.935 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000339409463 142040440 /nfs/dbraw/zinc/04/04/40/142040440.db2.gz ZAIVFYPNDRHDDY-KRWDZBQOSA-N 2 0 331.460 1.341 20 0 EDADRP C[C@H](C[NH+](C)C)Nc1nc2ccccc2c(N[C@H](C)C[NH+](C)C)n1 ZINC000343804325 142891621 /nfs/dbraw/zinc/89/16/21/142891621.db2.gz JHAJFTDMKKRSGF-ZIAGYGMSSA-N 2 0 330.480 1.198 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C)CC[NH+](C)C)CC1 ZINC000345400564 143086669 /nfs/dbraw/zinc/08/66/69/143086669.db2.gz PTSZRIOQOJRSKZ-HUUCEWRRSA-N 2 0 328.501 1.061 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@@H](C)CC[NH+](C)C)CC1 ZINC000345400561 143086692 /nfs/dbraw/zinc/08/66/92/143086692.db2.gz PTSZRIOQOJRSKZ-GJZGRUSLSA-N 2 0 328.501 1.061 20 0 EDADRP CC[C@H](C(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1)[NH+](CC)CC ZINC000345429146 143090159 /nfs/dbraw/zinc/09/01/59/143090159.db2.gz JAGRIQMWAQDWJA-MRXNPFEDSA-N 2 0 340.512 1.119 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)[NH+](C)C1 ZINC000346227118 143180988 /nfs/dbraw/zinc/18/09/88/143180988.db2.gz BLWOFHDIKYKTMO-YLFCFFPRSA-N 2 0 340.512 1.467 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@@H]2C)[NH+](C)C1 ZINC000346248458 143183326 /nfs/dbraw/zinc/18/33/26/143183326.db2.gz XCCOTWWMPYTOQV-YLFCFFPRSA-N 2 0 340.512 1.610 20 0 EDADRP CCc1ncc(C[N@@H+]2CCC[C@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)s1 ZINC000346667885 143228995 /nfs/dbraw/zinc/22/89/95/143228995.db2.gz FIWRRZGGCXLOBN-HIFRSBDPSA-N 2 0 336.505 1.786 20 0 EDADRP COc1ccc([C@H](C)C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cc1 ZINC000347092876 143281759 /nfs/dbraw/zinc/28/17/59/143281759.db2.gz GHLKWYXYCBGFJR-AEFFLSMTSA-N 2 0 345.487 1.943 20 0 EDADRP O=C(NCC1([NH+]2CCCC2)CCOCC1)c1ccc2c(c1)C[NH2+]C2 ZINC000347515615 143331144 /nfs/dbraw/zinc/33/11/44/143331144.db2.gz FZPKIEGXCFBHCW-UHFFFAOYSA-N 2 0 329.444 1.665 20 0 EDADRP C[C@@H](C[NH+]1CCOCC1)C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000347702297 143351762 /nfs/dbraw/zinc/35/17/62/143351762.db2.gz MIYBQLQGPHCSBL-ZACQAIPSSA-N 2 0 339.524 1.827 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[NH+](C)C)c1 ZINC000347729767 143355408 /nfs/dbraw/zinc/35/54/08/143355408.db2.gz VHLHXRNUHCVELE-CRAIPNDOSA-N 2 0 349.475 1.382 20 0 EDADRP CO[C@H]1C[C@H](CN(C)C(=O)NCC2CC[NH+](C3CC3)CC2)[N@H+](C)C1 ZINC000348032868 143394041 /nfs/dbraw/zinc/39/40/41/143394041.db2.gz PHIDPNMKDONNGL-SJORKVTESA-N 2 0 338.496 1.221 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N(CC[NH+](C)C)Cc1ccccc1F ZINC000418582774 296583194 /nfs/dbraw/zinc/58/31/94/296583194.db2.gz VUFVEXAOIJGBIG-RHSMWYFYSA-N 2 0 336.455 1.897 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000573001380 306607754 /nfs/dbraw/zinc/60/77/54/306607754.db2.gz NUTNUSANJFILRY-KBPBESRZSA-N 2 0 338.496 1.142 20 0 EDADRP CN(C(=O)c1ccnc(N2CC[NH+](C)CC2)c1)[C@H]1CCC[NH2+]CC1 ZINC000369751486 155161936 /nfs/dbraw/zinc/16/19/36/155161936.db2.gz XGBOJGOQXVTUOO-INIZCTEOSA-N 2 0 331.464 1.048 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000416819355 304349873 /nfs/dbraw/zinc/34/98/73/304349873.db2.gz RWTLVJXTMZXJRM-JKSUJKDBSA-N 2 0 349.479 1.009 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CC[NH2+]C2)[NH+]2CCCC2)c1 ZINC000416840822 304350646 /nfs/dbraw/zinc/35/06/46/304350646.db2.gz GGSDAXRSPRKNDT-CRAIPNDOSA-N 2 0 346.475 1.741 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1 ZINC000352672780 149111332 /nfs/dbraw/zinc/11/13/32/149111332.db2.gz AQCDXIRZNMJQFV-MRXNPFEDSA-N 2 0 340.512 1.613 20 0 EDADRP CO[C@H](C)c1noc(CN2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)n1 ZINC000369908074 155225758 /nfs/dbraw/zinc/22/57/58/155225758.db2.gz JDGSOZAEOOZCII-ZIAGYGMSSA-N 2 0 337.468 1.377 20 0 EDADRP Cc1[nH]nc2ncc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)cc12 ZINC000353360905 149379349 /nfs/dbraw/zinc/37/93/49/149379349.db2.gz NRMCBMQWJGYHFC-CYBMUJFWSA-N 2 0 331.464 1.791 20 0 EDADRP C[NH2+][C@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416967851 304356886 /nfs/dbraw/zinc/35/68/86/304356886.db2.gz HVIREPSEHKHATK-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000416969543 304357211 /nfs/dbraw/zinc/35/72/11/304357211.db2.gz KUJSIFXCFVWVII-UHFFFAOYSA-N 2 0 334.464 1.507 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000416969703 304357343 /nfs/dbraw/zinc/35/73/43/304357343.db2.gz LDTNIMIIZPJBHP-LSDHHAIUSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@H](NC(=O)NCc1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000416981293 304360706 /nfs/dbraw/zinc/36/07/06/304360706.db2.gz ZWBBUUKLUZUWTH-RDJZCZTQSA-N 2 0 348.491 1.814 20 0 EDADRP CC[C@@H](C(=O)NC[C@H]1CN2CCN1CC2)[N@H+](C)Cc1ccccc1 ZINC000355192693 150160081 /nfs/dbraw/zinc/16/00/81/150160081.db2.gz UBMLWMCSLGMMFV-ROUUACIJSA-N 2 0 330.476 1.013 20 0 EDADRP O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417036991 304364176 /nfs/dbraw/zinc/36/41/76/304364176.db2.gz SZFIGRBMCACSSP-FQEVSTJZSA-N 2 0 342.487 1.830 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2C[C@H]3CCCC[N@@H+]3C2)CC1 ZINC000370018534 155283160 /nfs/dbraw/zinc/28/31/60/155283160.db2.gz NMZPSUFYOXVUPC-QZTJIDSGSA-N 2 0 336.524 1.251 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CCC(OCCC[NH3+])CC2)c1 ZINC000417062680 304367796 /nfs/dbraw/zinc/36/77/96/304367796.db2.gz HFHGHTXUFNGAKI-UHFFFAOYSA-N 2 0 348.491 1.788 20 0 EDADRP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000357346654 151003233 /nfs/dbraw/zinc/00/32/33/151003233.db2.gz AIEZVWWQXONOOB-MRXNPFEDSA-N 2 0 333.480 1.789 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N(CC[NH+](C)C)C(C)C)CC1 ZINC000357683631 151115002 /nfs/dbraw/zinc/11/50/02/151115002.db2.gz TXUZIQZDQZYADO-UHFFFAOYSA-N 2 0 340.512 1.166 20 0 EDADRP CC[N@H+](Cc1ccc(C(=O)NC[C@]2(O)CC[NH+](C)C2)cc1)C(C)C ZINC000358056983 151250592 /nfs/dbraw/zinc/25/05/92/151250592.db2.gz BWVBIAUZSCNUFZ-LJQANCHMSA-N 2 0 333.476 1.713 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)c2ccnc(OCC[NH+](C)C)c2)CC1 ZINC000358073533 151259836 /nfs/dbraw/zinc/25/98/36/151259836.db2.gz QCEJQUAYHDQXSK-UHFFFAOYSA-N 2 0 332.448 1.404 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)CC1 ZINC000358105655 151272683 /nfs/dbraw/zinc/27/26/83/151272683.db2.gz OXJRARSUEGNCRL-IAGOWNOFSA-N 2 0 336.524 1.393 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCN(C(=O)C3CCC3)CC2)[C@@H](C)C1 ZINC000358141506 151286715 /nfs/dbraw/zinc/28/67/15/151286715.db2.gz PNTMUNNVQWKPNV-WMZOPIPTSA-N 2 0 336.524 1.251 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000358277914 151324582 /nfs/dbraw/zinc/32/45/82/151324582.db2.gz TXOQPGCCAMOBCW-UHFFFAOYSA-N 2 0 341.415 1.514 20 0 EDADRP Cc1ccc(S(=O)(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)o1 ZINC000358457031 151383209 /nfs/dbraw/zinc/38/32/09/151383209.db2.gz JNIYZEJDTVHSDW-UHFFFAOYSA-N 2 0 331.482 1.482 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000360659575 152142396 /nfs/dbraw/zinc/14/23/96/152142396.db2.gz YXGJLKIKFIJAFP-GDBMZVCRSA-N 2 0 328.526 1.597 20 0 EDADRP CC(C)CC[C@H](O)C[NH+]1CCN(C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000360686989 152153422 /nfs/dbraw/zinc/15/34/22/152153422.db2.gz ANJMZEXIDODGBE-OALUTQOASA-N 2 0 341.540 1.510 20 0 EDADRP CC(C)[NH+](CCCNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)C ZINC000360849516 152228767 /nfs/dbraw/zinc/22/87/67/152228767.db2.gz MMIDIRPNGMLXOY-DLBZAZTESA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)CC[N@@H+]1C ZINC000361109683 152308924 /nfs/dbraw/zinc/30/89/24/152308924.db2.gz NPZIHHPLRLLWKV-ROUUACIJSA-N 3 0 346.523 1.451 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccc(F)cc2)CC1)N1CCC[NH2+]CC1 ZINC000417151177 304378473 /nfs/dbraw/zinc/37/84/73/304378473.db2.gz HBOBIFIHRGHHCI-UHFFFAOYSA-N 2 0 334.439 1.795 20 0 EDADRP C[C@@H](CNC(=O)N1C[C@H](C[NH3+])C2(C1)CCOCC2)C[NH+]1CCCC1 ZINC000417153989 304378487 /nfs/dbraw/zinc/37/84/87/304378487.db2.gz JXZOLMSGJRYGNO-HOTGVXAUSA-N 2 0 338.496 1.115 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000363597265 153008912 /nfs/dbraw/zinc/00/89/12/153008912.db2.gz LXTLCDAPPNWRJZ-INIZCTEOSA-N 2 0 325.497 1.726 20 0 EDADRP COc1ccc([C@H](CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)[NH+]2CCCC2)cc1 ZINC000364217105 153177638 /nfs/dbraw/zinc/17/76/38/153177638.db2.gz SYKPKBWHXRKZSX-WSTZPKSXSA-N 2 0 343.471 1.948 20 0 EDADRP O=C(NCc1ccn2ccnc2c1)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000367123488 154015924 /nfs/dbraw/zinc/01/59/24/154015924.db2.gz SBMGYLXCHLNPBO-HZPDHXFCSA-N 2 0 343.431 1.387 20 0 EDADRP O=C(NCc1ccn2ccnc2c1)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367123489 154016574 /nfs/dbraw/zinc/01/65/74/154016574.db2.gz SBMGYLXCHLNPBO-JKSUJKDBSA-N 2 0 343.431 1.387 20 0 EDADRP CN(C)S(=O)(=O)CC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000367133415 154018861 /nfs/dbraw/zinc/01/88/61/154018861.db2.gz MOUSHIWRQZQJCY-AWEZNQCLSA-N 2 0 329.510 1.074 20 0 EDADRP Cn1nccc1CC[N@H+](C)[C@H]1CCC[NH+](CCc2ccnn2C)CC1 ZINC000367179033 154030990 /nfs/dbraw/zinc/03/09/90/154030990.db2.gz CTBVEJIPAPXXPI-KRWDZBQOSA-N 2 0 344.507 1.725 20 0 EDADRP Cc1c(C(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)nnn1C1CC[NH2+]CC1 ZINC000367291860 154068943 /nfs/dbraw/zinc/06/89/43/154068943.db2.gz WFJQCZQCFFPVNR-HDJSIYSDSA-N 2 0 334.468 1.006 20 0 EDADRP CC(C)[NH+](CCNC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)C ZINC000369027085 154830879 /nfs/dbraw/zinc/83/08/79/154830879.db2.gz LAMKVBGMWYUAJH-CVEARBPZSA-N 2 0 326.485 1.268 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000417358646 304394689 /nfs/dbraw/zinc/39/46/89/304394689.db2.gz HWYCNFFZIAHYHY-KRWDZBQOSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH+](C)CCCCCCCNC(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000369435560 155032332 /nfs/dbraw/zinc/03/23/32/155032332.db2.gz KTKDJQJGCIWKBE-INIZCTEOSA-N 2 0 328.501 1.471 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)Nc2nc3c(s2)C[C@@H]([NH3+])CC3)C1(C)C ZINC000377529563 286503906 /nfs/dbraw/zinc/50/39/06/286503906.db2.gz FCHCAVJYCQNNTF-RVIYUIFMSA-N 2 0 338.477 1.430 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NCc2ccc(OCCC[NH+](C)C)cc2)CC[NH2+]1 ZINC000417476263 304398652 /nfs/dbraw/zinc/39/86/52/304398652.db2.gz CVAYGXZUGLBRPZ-DOTOQJQBSA-N 2 0 348.491 1.957 20 0 EDADRP C[NH+](C)CCCOc1ccc(CNC(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000417480899 304399191 /nfs/dbraw/zinc/39/91/91/304399191.db2.gz NDJGYYIZZGIBOA-UHFFFAOYSA-N 2 0 348.491 1.897 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000175734435 292335121 /nfs/dbraw/zinc/33/51/21/292335121.db2.gz XMJHWJTXCTUQCD-QGZVFWFLSA-N 2 0 340.512 1.615 20 0 EDADRP C[C@@H](C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21)N1CC[NH+](C)CC1 ZINC000371728934 156079675 /nfs/dbraw/zinc/07/96/75/156079675.db2.gz WKVIINAZUDUKIH-BBRMVZONSA-N 2 0 334.439 1.825 20 0 EDADRP CC[C@@]1(C(=O)N(C)CCN2CCN(c3ccccc3)CC2)CC[NH2+]C1 ZINC000372190653 156264248 /nfs/dbraw/zinc/26/42/48/156264248.db2.gz CFNLGSNJUKBIQD-HXUWFJFHSA-N 2 0 344.503 1.657 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)N[C@@H](C)[C@H](C)[NH3+])CCCC2)CC1 ZINC000417547667 304404733 /nfs/dbraw/zinc/40/47/33/304404733.db2.gz OYFUNIFOLNARFW-KBPBESRZSA-N 2 0 326.485 1.445 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCC(C[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000373982844 157093342 /nfs/dbraw/zinc/09/33/42/157093342.db2.gz NMNVVVFYVDZHGV-HOTGVXAUSA-N 2 0 325.497 1.676 20 0 EDADRP C[N@H+](C[C@@H]1CC12CC[NH+](CCCN1C(=O)CNC1=O)CC2)C1CC1 ZINC000374284574 157226016 /nfs/dbraw/zinc/22/60/16/157226016.db2.gz AMAGAYVWYRYIKZ-AWEZNQCLSA-N 2 0 334.464 1.125 20 0 EDADRP CCCNC(=O)NC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374317747 157240348 /nfs/dbraw/zinc/24/03/48/157240348.db2.gz NGGIDKUMNRFRAT-AWEZNQCLSA-N 2 0 336.480 1.419 20 0 EDADRP Cc1cccc(OC[C@H](O)C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374430778 157287767 /nfs/dbraw/zinc/28/77/67/157287767.db2.gz UGDPECIVFONBAA-HNBVOPMISA-N 2 0 348.487 1.918 20 0 EDADRP C[N@H+](Cc1c[nH]c2nccnc12)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000378126915 158086330 /nfs/dbraw/zinc/08/63/30/158086330.db2.gz DATBFBIDVKQLCO-MRXNPFEDSA-N 2 0 328.464 1.510 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC[C@H]1CCOC1 ZINC000378187214 158103001 /nfs/dbraw/zinc/10/30/01/158103001.db2.gz ZOKTUZWWDCDMTP-YRXWBPOGSA-N 2 0 340.508 1.909 20 0 EDADRP COCCC[N@@H+]1CCCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000378201970 158107645 /nfs/dbraw/zinc/10/76/45/158107645.db2.gz LZCQJYDCGBGACI-INIZCTEOSA-N 2 0 325.497 1.583 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000378212380 158110868 /nfs/dbraw/zinc/11/08/68/158110868.db2.gz VJKWFIMRDGXPFQ-IBGZPJMESA-N 2 0 345.487 1.517 20 0 EDADRP Cc1cccc(C[N@H+]2CCCC[C@@H]2C(=O)NC[C@](C)(O)C[NH+](C)C)c1 ZINC000378238338 158118203 /nfs/dbraw/zinc/11/82/03/158118203.db2.gz KVZPIDDMUXEBMQ-QUCCMNQESA-N 2 0 347.503 1.778 20 0 EDADRP C[C@@H](CNC(=[NH2+])NCCNC(=O)OC(C)(C)C)[NH+]1CCC(C)CC1 ZINC000496509931 286854957 /nfs/dbraw/zinc/85/49/57/286854957.db2.gz AMHRQWMVYGVKIO-AWEZNQCLSA-N 2 0 341.500 1.745 20 0 EDADRP CC(C)[C@H](CNC(=O)NC[C@]1([NH+](C)C)CCSC1)[NH+]1CCCC1 ZINC000360668113 162297105 /nfs/dbraw/zinc/29/71/05/162297105.db2.gz DLZICPRCQQEXAB-DOTOQJQBSA-N 2 0 342.553 1.843 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000183844862 287086098 /nfs/dbraw/zinc/08/60/98/287086098.db2.gz LFIREIXPRPLCBU-CQSZACIVSA-N 2 0 334.464 1.312 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CC1 ZINC000072826571 287257510 /nfs/dbraw/zinc/25/75/10/287257510.db2.gz BPAVYKISWWSJAK-UHFFFAOYSA-N 2 0 330.476 1.654 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000074134189 287268402 /nfs/dbraw/zinc/26/84/02/287268402.db2.gz HPHSFADKFYZGBF-SJORKVTESA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](CC(C)C)CCO2)C1 ZINC000080642981 287308203 /nfs/dbraw/zinc/30/82/03/287308203.db2.gz GHDZOIQDIZOPIY-QZTJIDSGSA-N 2 0 339.524 1.827 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000418338438 304482898 /nfs/dbraw/zinc/48/28/98/304482898.db2.gz KZLOWOSXYOQMIF-PBHICJAKSA-N 2 0 334.464 1.597 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@H](O)COC[C@@H]2CCCO2)CC1 ZINC000123539912 287388538 /nfs/dbraw/zinc/38/85/38/287388538.db2.gz CBEPTLKSMYWNNX-ROUUACIJSA-N 2 0 328.497 1.597 20 0 EDADRP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)COC[C@H]2CCCO2)CC1 ZINC000123540575 287388555 /nfs/dbraw/zinc/38/85/55/287388555.db2.gz CBEPTLKSMYWNNX-QZTJIDSGSA-N 2 0 328.497 1.597 20 0 EDADRP Cc1n[nH]c(C)c1C[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000123859071 222343322 /nfs/dbraw/zinc/34/33/22/222343322.db2.gz AGWKKLPSFQGJGA-UHFFFAOYSA-N 2 0 329.448 1.608 20 0 EDADRP C[C@H](Cn1cc(Br)cn1)[NH2+]CC1CC[NH+](CCO)CC1 ZINC000151839781 287602130 /nfs/dbraw/zinc/60/21/30/287602130.db2.gz OMNWXFKCAXNYLV-GFCCVEGCSA-N 2 0 345.285 1.328 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000190150191 272974335 /nfs/dbraw/zinc/97/43/35/272974335.db2.gz LAENPHWRFTXDQJ-INIZCTEOSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000237104427 273007794 /nfs/dbraw/zinc/00/77/94/273007794.db2.gz BBELCSAUWNAOGM-KRWDZBQOSA-N 2 0 332.492 1.561 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000237801328 273012982 /nfs/dbraw/zinc/01/29/82/273012982.db2.gz MPWAMJJQTDRWME-AEFFLSMTSA-N 2 0 331.460 1.300 20 0 EDADRP CC(C)[C@@H](CCO)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274584828 268163601 /nfs/dbraw/zinc/16/36/01/268163601.db2.gz GAZGONCUSKCNTG-QXAKKESOSA-N 2 0 347.503 1.762 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274972302 268253930 /nfs/dbraw/zinc/25/39/30/268253930.db2.gz YDUWKSKMNHERGR-YSIASYRMSA-N 2 0 330.520 1.732 20 0 EDADRP CN(C)c1cc[nH+]cc1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000273575504 273045971 /nfs/dbraw/zinc/04/59/71/273045971.db2.gz GRZDJMZICMILDX-UHFFFAOYSA-N 2 0 338.455 1.977 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@@]12CCC[C@@H]1C[NH2+]C2 ZINC000280790282 273398762 /nfs/dbraw/zinc/39/87/62/273398762.db2.gz JLHRKIOAHJDDLM-DNVCBOLYSA-N 2 0 328.460 1.552 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283964665 274028890 /nfs/dbraw/zinc/02/88/90/274028890.db2.gz GHNRHXZPMVWRGI-UHFFFAOYSA-N 2 0 348.491 1.163 20 0 EDADRP C[C@H](CS(C)(=O)=O)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284321224 274159960 /nfs/dbraw/zinc/15/99/60/274159960.db2.gz KCJPTJBQDWUZGA-CQSZACIVSA-N 2 0 340.489 1.682 20 0 EDADRP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C)N1CC[NH+](C)CC1 ZINC000246845297 274225747 /nfs/dbraw/zinc/22/57/47/274225747.db2.gz BDBFSPJBBURPPU-HBFSDRIKSA-N 2 0 345.535 1.518 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCS[C@H]3CCCC[C@@H]32)CC1 ZINC000362483592 276150292 /nfs/dbraw/zinc/15/02/92/276150292.db2.gz IXOSETJQHYLDFS-HOTGVXAUSA-N 2 0 325.522 1.947 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNCc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425898362 276198378 /nfs/dbraw/zinc/19/83/78/276198378.db2.gz ZEIKESIAPGFIRK-INIZCTEOSA-N 2 0 336.480 1.324 20 0 EDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C[C@@H](O)COC)CC1 ZINC000181638854 276203087 /nfs/dbraw/zinc/20/30/87/276203087.db2.gz ZFJIRBHDMFDKKS-GOEBONIOSA-N 2 0 339.455 1.626 20 0 EDADRP CC(C)CN(C(=O)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)C(C)C ZINC000171589095 277369143 /nfs/dbraw/zinc/36/91/43/277369143.db2.gz UCNCJDNPUWSMAK-KRWDZBQOSA-N 2 0 341.540 1.904 20 0 EDADRP CC(C)C[N@@H+]1CCCN(C(=O)c2ccn([C@@H]3CCC[NH2+]C3)n2)CC1 ZINC000368988446 277389636 /nfs/dbraw/zinc/38/96/36/277389636.db2.gz FCBIAGWWESWIQS-MRXNPFEDSA-N 2 0 333.480 1.612 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCC[C@H]1[NH+]1CCOCC1)[N@H+](C)C1CC1 ZINC000369046800 278202690 /nfs/dbraw/zinc/20/26/90/278202690.db2.gz ITDBDANJKBFKQZ-HLLBOEOZSA-N 2 0 338.496 1.269 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]1CC[NH2+]C1 ZINC000333378209 278744253 /nfs/dbraw/zinc/74/42/53/278744253.db2.gz NGCZRNDRCZLSNJ-GVDBMIGSSA-N 2 0 338.496 1.148 20 0 EDADRP CC[NH+](CC)CCSCC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000377746531 279112638 /nfs/dbraw/zinc/11/26/38/279112638.db2.gz DLFSXQYABMWUJX-MRXNPFEDSA-N 2 0 327.538 1.910 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000112212974 279156951 /nfs/dbraw/zinc/15/69/51/279156951.db2.gz KBBNEUDKHUAEPV-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CCN(CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)S(C)(=O)=O ZINC000316447812 279185144 /nfs/dbraw/zinc/18/51/44/279185144.db2.gz FWQSOKDBVBAPKU-ARFHVFGLSA-N 2 0 331.526 1.558 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](C)C1 ZINC000355142399 279302702 /nfs/dbraw/zinc/30/27/02/279302702.db2.gz WESRBSMLKYBYKU-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)N1CCC[NH+](CCCOC)CC1 ZINC000369852104 279309928 /nfs/dbraw/zinc/30/99/28/279309928.db2.gz PDRIHBVZJGPXTP-MRXNPFEDSA-N 2 0 326.485 1.225 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000346064178 279312402 /nfs/dbraw/zinc/31/24/02/279312402.db2.gz IBKHPUHCFJTRBS-QGZVFWFLSA-N 2 0 331.508 1.272 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000458433284 279354246 /nfs/dbraw/zinc/35/42/46/279354246.db2.gz IXMABPKUXJOMBW-CVEARBPZSA-N 2 0 339.528 1.184 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000345836547 279375649 /nfs/dbraw/zinc/37/56/49/279375649.db2.gz CWOLUZOPCLPSFM-ZWKOTPCHSA-N 2 0 344.503 1.833 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339547859 288129248 /nfs/dbraw/zinc/12/92/48/288129248.db2.gz VOVRBHZETIOGGA-UWWQBHOKSA-N 2 0 334.508 1.842 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC[NH+](CC(C)(C)O)CC1 ZINC000364644242 280098660 /nfs/dbraw/zinc/09/86/60/280098660.db2.gz ZHKUNEUPFZSQPB-OAHLLOKOSA-N 2 0 328.501 1.205 20 0 EDADRP CC[C@@H](CNC(=O)NC[C@H]([NH3+])C1CC1)[N@@H+]1CCc2ccccc2C1 ZINC000417024319 280142852 /nfs/dbraw/zinc/14/28/52/280142852.db2.gz XADZQJKXMRBNTR-ROUUACIJSA-N 2 0 330.476 1.860 20 0 EDADRP CC[C@@H](C)[N@H+](CCO)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000287356913 288218228 /nfs/dbraw/zinc/21/82/28/288218228.db2.gz LPPFOQJTCAHRGK-QGZVFWFLSA-N 2 0 347.503 1.991 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nncn1C ZINC000287357450 288218527 /nfs/dbraw/zinc/21/85/27/288218527.db2.gz PMXWHDKPBFBDJY-QAPCUYQASA-N 2 0 343.475 1.911 20 0 EDADRP CC[C@H](C)[N@H+](CCO)CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000287586261 288271472 /nfs/dbraw/zinc/27/14/72/288271472.db2.gz YDFVAXBKDGHHGF-INIZCTEOSA-N 2 0 334.464 1.213 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000247134520 281057480 /nfs/dbraw/zinc/05/74/80/281057480.db2.gz JNBQQVVDKFJUMV-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP C[C@H]1[C@H](NC(=O)N2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287888874 288348404 /nfs/dbraw/zinc/34/84/04/288348404.db2.gz BWCVBGZJFTYFMX-FUHWJXTLSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H]1[C@H](NC(=O)N2CCC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000287888876 288348644 /nfs/dbraw/zinc/34/86/44/288348644.db2.gz BWCVBGZJFTYFMX-SJLPKXTDSA-N 2 0 330.476 1.997 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1CO ZINC000287952682 288365337 /nfs/dbraw/zinc/36/53/37/288365337.db2.gz HAAQOBYEDWQHRJ-RYQLBKOJSA-N 2 0 348.491 1.119 20 0 EDADRP CCn1ccnc1CN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC12CC[NH2+]CC2 ZINC000370163781 288716538 /nfs/dbraw/zinc/71/65/38/288716538.db2.gz QHAODVUNYIHOBU-HUUCEWRRSA-N 2 0 333.480 1.229 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188959363 289148143 /nfs/dbraw/zinc/14/81/43/289148143.db2.gz HMABLLALEAMJIC-UHFFFAOYSA-N 2 0 345.422 1.399 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)c1cc(CN2CCCC2)on1 ZINC000292336530 289319582 /nfs/dbraw/zinc/31/95/82/289319582.db2.gz BCKWZLDCOSYMEE-UHFFFAOYSA-N 2 0 339.399 1.891 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N[C@H]1C[NH2+]CCC1(F)F)C1CCCCC1 ZINC000417015241 289359147 /nfs/dbraw/zinc/35/91/47/289359147.db2.gz MFZXNZWUXOLFLH-KGLIPLIRSA-N 2 0 332.439 1.793 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N2C[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000333716564 295224576 /nfs/dbraw/zinc/22/45/76/295224576.db2.gz TXBPMCCZIVNEBE-STECZYCISA-N 2 0 332.448 1.129 20 0 EDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCCN1C(=O)NC2(CCCC2)C1=O ZINC000423059025 295332840 /nfs/dbraw/zinc/33/28/40/295332840.db2.gz DUQNHLIGVMBEMV-LSDHHAIUSA-N 2 0 336.480 1.881 20 0 EDADRP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)NC(=O)NC1CCCCC1 ZINC000357082508 295497843 /nfs/dbraw/zinc/49/78/43/295497843.db2.gz OMOLRFQIHFXMOX-OAHLLOKOSA-N 2 0 336.480 1.466 20 0 EDADRP CN(C(=O)NC[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000418547222 304511203 /nfs/dbraw/zinc/51/12/03/304511203.db2.gz REBBFTQVYQMUDU-QGZVFWFLSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000418605084 304517856 /nfs/dbraw/zinc/51/78/56/304517856.db2.gz PJAJKWLIWHUNSV-JKSUJKDBSA-N 2 0 340.512 1.659 20 0 EDADRP C[C@@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@H]1C ZINC000333627515 297547329 /nfs/dbraw/zinc/54/73/29/297547329.db2.gz GBBGZHXKFPDSEG-ILXVDBEPSA-N 2 0 348.466 1.911 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)N(C)CC[C@H]([NH3+])C(C)C)CC1 ZINC000419119390 304566871 /nfs/dbraw/zinc/56/68/71/304566871.db2.gz PAHJROQYWWYEFP-INIZCTEOSA-N 2 0 340.512 1.055 20 0 EDADRP C[C@H](C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1)C1C[NH2+]C1 ZINC000367649306 298150547 /nfs/dbraw/zinc/15/05/47/298150547.db2.gz RNOPAPJOSQYMFS-HNNXBMFYSA-N 2 0 337.508 1.772 20 0 EDADRP C[C@H]1C[NH2+]CCN1C(=O)NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000418133041 300321192 /nfs/dbraw/zinc/32/11/92/300321192.db2.gz FNMOPFIMSFTSJY-YJBOKZPZSA-N 2 0 330.476 1.900 20 0 EDADRP C[C@@H](CC[NH3+])NC(=O)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000419812991 304688681 /nfs/dbraw/zinc/68/86/81/304688681.db2.gz JJDRYZFNUBSURR-HNNXBMFYSA-N 2 0 338.496 1.145 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414754229 447322706 /nfs/dbraw/zinc/32/27/06/447322706.db2.gz NQKMVOWARHEGMI-QLFBSQMISA-N 2 0 346.475 1.566 20 0 EDADRP Cn1nccc1[C@@H]1OCC[C@@H]1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000343278655 303079466 /nfs/dbraw/zinc/07/94/66/303079466.db2.gz HQSBXUGWNSYEGB-IEBWSBKVSA-N 2 0 347.507 1.211 20 0 EDADRP O=CN1CCCN(C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000294298777 303088702 /nfs/dbraw/zinc/08/87/02/303088702.db2.gz UXEPKYHGZIPHLW-LJQANCHMSA-N 2 0 331.460 1.442 20 0 EDADRP O=C(CSC(F)F)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000294434781 303106311 /nfs/dbraw/zinc/10/63/11/303106311.db2.gz FWUOOXUTHFKQCL-UHFFFAOYSA-N 2 0 344.431 1.666 20 0 EDADRP FC(F)(F)[C@H](C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)N1CC[NH2+]CC1 ZINC000414973618 303117304 /nfs/dbraw/zinc/11/73/04/303117304.db2.gz KPAWZGRFWRKSRD-FQUUOJAGSA-N 2 0 333.398 1.370 20 0 EDADRP [NH3+]C1(CNC(=O)N2CC[C@@H]3C[NH2+]C[C@H]3C2)C2CC3CC(C2)CC1C3 ZINC000333548449 303358253 /nfs/dbraw/zinc/35/82/53/303358253.db2.gz OWNDYHLNAJJAJB-DOTWHUGWSA-N 2 0 332.492 1.391 20 0 EDADRP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)N1CCOCC1 ZINC000298574203 303535282 /nfs/dbraw/zinc/53/52/82/303535282.db2.gz XHQQWXHGFUMXBX-IBGZPJMESA-N 2 0 332.492 1.997 20 0 EDADRP Cc1noc(C)c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000299472325 303620980 /nfs/dbraw/zinc/62/09/80/303620980.db2.gz GTBXKWYFUAOHLV-UHFFFAOYSA-N 2 0 343.431 1.629 20 0 EDADRP COC(=O)c1cc2c(o1)c(OC)ccc2C[NH2+]CCN1CC[NH2+]CC1 ZINC000414870850 447335888 /nfs/dbraw/zinc/33/58/88/447335888.db2.gz SXOFIUVLRIDCEV-UHFFFAOYSA-N 2 0 347.415 1.223 20 0 EDADRP [NH3+][C@H]1CCCCC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000422720170 304879056 /nfs/dbraw/zinc/87/90/56/304879056.db2.gz SCOFBQMUBDZBPF-ZWKOTPCHSA-N 3 0 346.523 1.628 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCNS(=O)(=O)c2cccc(Cl)c2)CC1 ZINC000422750655 304879779 /nfs/dbraw/zinc/87/97/79/304879779.db2.gz AGLLSUBIWDFHSM-UHFFFAOYSA-N 2 0 345.896 1.725 20 0 EDADRP O=C(CCC[NH2+][C@@H]1CCC[NH2+]CC1)N1CCN(c2ccccc2)CC1 ZINC000422914722 304880153 /nfs/dbraw/zinc/88/01/53/304880153.db2.gz VRVOKPCCPYHVFA-GOSISDBHSA-N 2 0 344.503 1.847 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccnc2OCC)CC[NH2+]CC1 ZINC000422965292 304881679 /nfs/dbraw/zinc/88/16/79/304881679.db2.gz OJUXDJDXXGRHSY-CQSZACIVSA-N 2 0 335.448 1.891 20 0 EDADRP C[C@H]([NH2+]CCNS(=O)(=O)c1ccc(Cl)cc1F)[C@H]1CC[NH2+]C1 ZINC000423100395 304885987 /nfs/dbraw/zinc/88/59/87/304885987.db2.gz MPXJIVYZCGPBAP-QWRGUYRKSA-N 2 0 349.859 1.345 20 0 EDADRP [NH3+][C@H]1CCO[C@@H](C2CCN(C(=O)[C@]34C[NH2+]C[C@@H]3CCCC4)CC2)C1 ZINC000424009983 304924909 /nfs/dbraw/zinc/92/49/09/304924909.db2.gz KHILHPHJKYHSDR-IMBTUZDBSA-N 2 0 335.492 1.511 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000424018541 304925525 /nfs/dbraw/zinc/92/55/25/304925525.db2.gz JQASDWSMTDUEJV-ROUUACIJSA-N 3 0 344.503 1.484 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCCO[C@H](C[NH3+])C2)cc1 ZINC000424018571 304925549 /nfs/dbraw/zinc/92/55/49/304925549.db2.gz ISBOWFPVPGWKMS-GOSISDBHSA-N 2 0 349.475 1.597 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000429541886 305031530 /nfs/dbraw/zinc/03/15/30/305031530.db2.gz PPOZUTRLJGEUDS-ZWKOTPCHSA-N 2 0 336.476 1.989 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000430581875 305057069 /nfs/dbraw/zinc/05/70/69/305057069.db2.gz IJSSMTRUHQVWMT-GOEBONIOSA-N 2 0 332.448 1.462 20 0 EDADRP O=C([C@H]1CCC[N@H+](CCSc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000430621820 305059640 /nfs/dbraw/zinc/05/96/40/305059640.db2.gz KJGPUSVTMJIIGV-INIZCTEOSA-N 2 0 333.501 1.923 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](CCCOc2cccc(Cl)c2)C1 ZINC000430639928 305060780 /nfs/dbraw/zinc/06/07/80/305060780.db2.gz QFAJNNZECXFXEL-AWEZNQCLSA-N 2 0 339.867 1.896 20 0 EDADRP CCN(Cc1ccc(OC)c(OC)c1)C(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430647491 305061242 /nfs/dbraw/zinc/06/12/42/305061242.db2.gz QCXIFBWUNNFZSZ-UHFFFAOYSA-N 2 0 349.475 1.723 20 0 EDADRP C[NH2+][C@H]1CCN(CC(=O)N2CCC[N@H+](Cc3ccccc3C)CC2)C1 ZINC000430655122 305061578 /nfs/dbraw/zinc/06/15/78/305061578.db2.gz RDDLFXXQRALKAJ-IBGZPJMESA-N 2 0 344.503 1.323 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@@]1(C)CC[NH2+]C1)c1ccccc1 ZINC000430907309 305067453 /nfs/dbraw/zinc/06/74/53/305067453.db2.gz CNKUVPIARHQDBH-MJGOQNOKSA-N 2 0 333.476 1.812 20 0 EDADRP CS(=O)(=O)c1ccc(OCC[NH+]2CCC3(CC[NH2+]C3)CC2)cc1 ZINC000431032919 305073263 /nfs/dbraw/zinc/07/32/63/305073263.db2.gz FTGXDHCROSKJPC-UHFFFAOYSA-N 2 0 338.473 1.544 20 0 EDADRP O=C(C[NH+]1CCC2(CC[NH2+]C2)CC1)NCCOc1cccc(F)c1 ZINC000431035770 305073451 /nfs/dbraw/zinc/07/34/51/305073451.db2.gz CDAZVJJCPUNRPC-UHFFFAOYSA-N 2 0 335.423 1.396 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000432852872 305096092 /nfs/dbraw/zinc/09/60/92/305096092.db2.gz RVVMYHDEAINPEQ-OAHLLOKOSA-N 2 0 337.489 1.511 20 0 EDADRP CC(C)[C@@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)c1nc(C2CC2)no1 ZINC000433127703 305101249 /nfs/dbraw/zinc/10/12/49/305101249.db2.gz IYZJUTSABBLVRI-MRXNPFEDSA-N 2 0 349.479 1.964 20 0 EDADRP CCCC(=O)N[C@@H]1CCCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C1 ZINC000433131682 305101338 /nfs/dbraw/zinc/10/13/38/305101338.db2.gz ANJOTWGUZYSXQY-MRXNPFEDSA-N 2 0 338.496 1.097 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)Nc2nnc(C(F)(F)F)s2)CC1 ZINC000433133062 305101376 /nfs/dbraw/zinc/10/13/76/305101376.db2.gz HJDRWPQTJUEFDL-UHFFFAOYSA-N 2 0 337.371 1.699 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](CCO)[C@@H]2CCCSC2)CC1 ZINC000433193077 305102759 /nfs/dbraw/zinc/10/27/59/305102759.db2.gz OIWMMZCFLCLWNI-QGZVFWFLSA-N 2 0 329.554 1.592 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000433328572 305106010 /nfs/dbraw/zinc/10/60/10/305106010.db2.gz AMVLZWYMXZTNHB-DLBZAZTESA-N 2 0 340.512 1.661 20 0 EDADRP Cc1ccn(C2CC[NH+](CC(=O)NC3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000434505888 305123863 /nfs/dbraw/zinc/12/38/63/305123863.db2.gz ABNGCAIKVLRLPV-UHFFFAOYSA-N 2 0 345.491 1.571 20 0 EDADRP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](N3CCNCC3=O)C2)o1 ZINC000435376917 305139228 /nfs/dbraw/zinc/13/92/28/305139228.db2.gz WEBGDBVVCJOKOP-HNNXBMFYSA-N 2 0 343.431 1.374 20 0 EDADRP CCNC(=O)COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000435380883 305139547 /nfs/dbraw/zinc/13/95/47/305139547.db2.gz UFKWWBIYAPFFEU-UHFFFAOYSA-N 2 0 337.464 1.627 20 0 EDADRP COc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)cn1 ZINC000436401552 305156764 /nfs/dbraw/zinc/15/67/64/305156764.db2.gz QIHVJSRVJKTTSV-GOSISDBHSA-N 2 0 327.428 1.947 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000439214168 305195415 /nfs/dbraw/zinc/19/54/15/305195415.db2.gz NEXJVTUGBOMFGM-ZWKOTPCHSA-N 2 0 337.508 1.866 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C(=O)Nc2ccccc2CC[NH+](C)C)C1 ZINC000445623722 305259320 /nfs/dbraw/zinc/25/93/20/305259320.db2.gz LXBVOHYYRIDHIG-INIZCTEOSA-N 2 0 346.475 1.330 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1c(Br)c(C)nn1C ZINC000447895791 305288026 /nfs/dbraw/zinc/28/80/26/305288026.db2.gz ZXDNZLRIZVTASM-LBPRGKRZSA-N 2 0 347.301 1.937 20 0 EDADRP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)COC2CCC([NH3+])CC2)C1 ZINC000449097265 305306385 /nfs/dbraw/zinc/30/63/85/305306385.db2.gz CRFNRXJITHKPGD-FHERZECASA-N 2 0 325.497 1.900 20 0 EDADRP CC[N@H+](CCO)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449246575 305309550 /nfs/dbraw/zinc/30/95/50/305309550.db2.gz CGAICSBSHBMJOI-GOSISDBHSA-N 2 0 333.520 1.986 20 0 EDADRP O=C(N1CC[NH+](C2CCOCC2)CC1)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449354354 305312420 /nfs/dbraw/zinc/31/24/20/305312420.db2.gz MSSIUFOJZXALMS-FQEVSTJZSA-N 2 0 343.471 1.241 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)CO ZINC000451247935 305335243 /nfs/dbraw/zinc/33/52/43/305335243.db2.gz CINCNHRIFCRGQD-SJLPKXTDSA-N 2 0 347.503 1.716 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000451989387 305376518 /nfs/dbraw/zinc/37/65/18/305376518.db2.gz QJDKHSLLGYGIQV-UHFFFAOYSA-N 2 0 347.429 1.951 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+]1CCCO)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000452361294 305392566 /nfs/dbraw/zinc/39/25/66/305392566.db2.gz JWZLIRXUOJEQKX-MSOLQXFVSA-N 2 0 337.508 1.747 20 0 EDADRP CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cc(C4CC[NH2+]CC4)no3)[C@H]2C1 ZINC000425897266 447353015 /nfs/dbraw/zinc/35/30/15/447353015.db2.gz SNEYLGJABWMDMB-RYQLBKOJSA-N 2 0 346.475 1.878 20 0 EDADRP COCCOc1cc2c(cc1C[NH2+]CC1(C)CC[NH2+]CC1)OCO2 ZINC000414910785 447353318 /nfs/dbraw/zinc/35/33/18/447353318.db2.gz SRJOSTQKNKGFHL-UHFFFAOYSA-N 2 0 336.432 1.920 20 0 EDADRP CC(C)CC[NH+]1CCC(C[NH2+]C[C@H](O)COC2CCOCC2)CC1 ZINC000515234119 305717440 /nfs/dbraw/zinc/71/74/40/305717440.db2.gz BKTXMMCPGCYMMZ-SFHVURJKSA-N 2 0 342.524 1.891 20 0 EDADRP Cc1cc(C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)ccn1 ZINC000527663392 305855142 /nfs/dbraw/zinc/85/51/42/305855142.db2.gz YYVXZNCFCSUREG-UHFFFAOYSA-N 2 0 326.444 1.971 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC[NH+]2CCC2)CC1 ZINC000533112069 305995954 /nfs/dbraw/zinc/99/59/54/305995954.db2.gz QIKDVTLMVSEKRG-OAHLLOKOSA-N 2 0 331.464 1.612 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CCN(C(=O)c3ccc4c[nH+]cn4c3)C2)CC1 ZINC000550657188 306153604 /nfs/dbraw/zinc/15/36/04/306153604.db2.gz PCAJJFVWOGLMNI-SFHVURJKSA-N 2 0 341.459 1.575 20 0 EDADRP Cc1nc2[nH]ccc2c(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)n1 ZINC000553655156 306187119 /nfs/dbraw/zinc/18/71/19/306187119.db2.gz WFOAKWIRXZTJJZ-AGUYFDCRSA-N 2 0 342.447 1.762 20 0 EDADRP CC(C)[NH2+]CCC(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000553981927 306188428 /nfs/dbraw/zinc/18/84/28/306188428.db2.gz VPDLHZFSEPQVPG-LJQANCHMSA-N 2 0 346.519 1.870 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)CC1 ZINC000556686462 306213925 /nfs/dbraw/zinc/21/39/25/306213925.db2.gz LQGFNHWGJJEHSA-KRWDZBQOSA-N 2 0 338.540 1.591 20 0 EDADRP CC1(C)CCC[NH2+][C@H]1CNC(=O)N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000557220163 306226835 /nfs/dbraw/zinc/22/68/35/306226835.db2.gz KBTXKFQARGXQMX-PMPSAXMXSA-N 2 0 338.496 1.302 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c1 ZINC000414946920 447369435 /nfs/dbraw/zinc/36/94/35/447369435.db2.gz UYWBDIUZWKOOQV-CZUORRHYSA-N 2 0 344.459 1.476 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)cc1 ZINC000414951716 447370200 /nfs/dbraw/zinc/37/02/00/447370200.db2.gz HBQMZCWJCILEJR-BFQNTYOBSA-N 2 0 330.432 1.244 20 0 EDADRP COC(=O)c1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414956742 447374629 /nfs/dbraw/zinc/37/46/29/447374629.db2.gz VPEAZDXOENCVKC-HEHGZKQESA-N 2 0 333.432 1.920 20 0 EDADRP COc1ccc(C[NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)cc1O ZINC000414984323 447384691 /nfs/dbraw/zinc/38/46/91/447384691.db2.gz LWTFHSZFPIMNHM-CQSZACIVSA-N 2 0 333.354 1.327 20 0 EDADRP COC(=O)c1ccc(C[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000414987618 447386806 /nfs/dbraw/zinc/38/68/06/447386806.db2.gz KQEGBOITAVHSOZ-AEFFLSMTSA-N 2 0 345.443 1.210 20 0 EDADRP C[C@H](NC(=O)N[C@@H]1CCC[N@H+](CCCO)C1)C(C)(C)C[NH+](C)C ZINC000458509069 447393860 /nfs/dbraw/zinc/39/38/60/447393860.db2.gz HVSJCXKJJNMYOJ-LSDHHAIUSA-N 2 0 328.501 1.109 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000422234539 447415028 /nfs/dbraw/zinc/41/50/28/447415028.db2.gz DMGCBWBFFNZPRU-GPANFISMSA-N 2 0 326.485 1.005 20 0 EDADRP C[C@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)CC[NH2+]1 ZINC000415420678 447418472 /nfs/dbraw/zinc/41/84/72/447418472.db2.gz WXBOTCYDAIVUGZ-AWEZNQCLSA-N 2 0 344.459 1.082 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1ccc(F)c(F)c1 ZINC000104102493 441190065 /nfs/dbraw/zinc/19/00/65/441190065.db2.gz ATIBGCRBYBBJNQ-UHFFFAOYSA-N 2 0 335.420 1.079 20 0 EDADRP CCCc1ccc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000104102532 441189914 /nfs/dbraw/zinc/18/99/14/441189914.db2.gz VYTHAVCDPGBAAL-UHFFFAOYSA-N 2 0 341.521 1.753 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NC[C@H](C)[N@H+](C)C3CC3)CC2)c1 ZINC000105263354 441244843 /nfs/dbraw/zinc/24/48/43/441244843.db2.gz RUQRZDRTPTTZRB-AWEZNQCLSA-N 2 0 347.463 1.405 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N[C@H](C)CC[NH+](C)C)CC2)c1 ZINC000073643596 441337647 /nfs/dbraw/zinc/33/76/47/441337647.db2.gz OBKDHWQPVBRGEX-GOSISDBHSA-N 2 0 346.519 1.964 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NCCCC[NH+]2CCOCC2)CC1 ZINC000107326872 441409417 /nfs/dbraw/zinc/40/94/17/441409417.db2.gz JOQSIMRLINYOKB-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000075007654 441486006 /nfs/dbraw/zinc/48/60/06/441486006.db2.gz YDMSKOMZQNKRJR-MRXNPFEDSA-N 2 0 327.513 1.970 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH+](C)C)CCOCC1)C[NH+]1CCCC1 ZINC000114021843 441630845 /nfs/dbraw/zinc/63/08/45/441630845.db2.gz GHSMKMGIPQOQFU-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NC(=O)NCc2ccccc2)C1 ZINC000113515341 441613341 /nfs/dbraw/zinc/61/33/41/441613341.db2.gz SXJLMJUJRZHQQG-INIZCTEOSA-N 2 0 332.448 1.286 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cc2)CC1 ZINC000158806671 441765202 /nfs/dbraw/zinc/76/52/02/441765202.db2.gz UPCKXPYQZKPFNN-KDURUIRLSA-N 2 0 342.487 1.401 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000173517718 441775104 /nfs/dbraw/zinc/77/51/04/441775104.db2.gz VHVWMKYILDANKL-SFHVURJKSA-N 2 0 328.460 1.904 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@H+](C)C2)c1 ZINC000077817481 441867760 /nfs/dbraw/zinc/86/77/60/441867760.db2.gz HPAPJBUEQZNRKN-MRXNPFEDSA-N 2 0 346.475 1.535 20 0 EDADRP NC(=O)c1ccc(NC(=O)CC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150834592 441959821 /nfs/dbraw/zinc/95/98/21/441959821.db2.gz MZCBMGAIPVHVCA-HNNXBMFYSA-N 2 0 344.459 1.532 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@H]([NH3+])Cc2cn(Cc3ccccc3)cn2)C1 ZINC000151001332 441989027 /nfs/dbraw/zinc/98/90/27/441989027.db2.gz HECOGQSMUWGGJX-AEFFLSMTSA-N 2 0 341.459 1.012 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NCCC[NH+]2CCC(O)CC2)[C@H](C)C1 ZINC000151363412 442048650 /nfs/dbraw/zinc/04/86/50/442048650.db2.gz PBMJJRMFBIXOON-MJGOQNOKSA-N 2 0 341.540 1.560 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1 ZINC000162580152 442105440 /nfs/dbraw/zinc/10/54/40/442105440.db2.gz BUYIQXIVWKQIJL-INIZCTEOSA-N 2 0 328.464 1.555 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000176046496 442166649 /nfs/dbraw/zinc/16/66/49/442166649.db2.gz WADWKSCEHCGRPO-OAHLLOKOSA-N 2 0 348.491 1.842 20 0 EDADRP C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCN1CCOC(C)(C)C1 ZINC000176062898 442169764 /nfs/dbraw/zinc/16/97/64/442169764.db2.gz FNEIOFRXDAAXJO-GJZGRUSLSA-N 2 0 326.485 1.079 20 0 EDADRP CCc1ccc([C@H](CNC(=O)C[NH2+]C[C@H]2CCCO2)[NH+](C)C)cc1 ZINC000163601282 442175406 /nfs/dbraw/zinc/17/54/06/442175406.db2.gz NKUXRSJUUIFBRN-MSOLQXFVSA-N 2 0 333.476 1.737 20 0 EDADRP CC[NH+](CC)[C@@H](C)CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000176207653 442191929 /nfs/dbraw/zinc/19/19/29/442191929.db2.gz SWOHRCFZTYNLBE-INIZCTEOSA-N 2 0 342.528 1.905 20 0 EDADRP CN(CC[NH+](C)C)C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000176354654 442213936 /nfs/dbraw/zinc/21/39/36/442213936.db2.gz MOAWMBFTKZWFRF-UHFFFAOYSA-N 2 0 342.553 1.941 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH2+]C[C@H]3CCCO3)C2)CC1 ZINC000166438132 442216379 /nfs/dbraw/zinc/21/63/79/442216379.db2.gz AWJAYNIUEZNEAC-ZWKOTPCHSA-N 2 0 337.508 1.726 20 0 EDADRP CC(C)[NH2+]CCC(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000166762589 442218203 /nfs/dbraw/zinc/21/82/03/442218203.db2.gz LAMIXTGJXZVLFY-UHFFFAOYSA-N 2 0 346.475 1.791 20 0 EDADRP COc1cc(CNC(=O)C[N@H+](C)C(C)C)ccc1OCC[NH+](C)C ZINC000170627981 442237925 /nfs/dbraw/zinc/23/79/25/442237925.db2.gz ISQPFBRBNLBNIR-UHFFFAOYSA-N 2 0 337.464 1.592 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC[C@@H]1CN2CCCC[C@@H]2CO1 ZINC000152835775 442246518 /nfs/dbraw/zinc/24/65/18/442246518.db2.gz GCGNYRYUFFOOTJ-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]C2CCN(Cc3cccnc3)CC2)CC1 ZINC000128679511 442281807 /nfs/dbraw/zinc/28/18/07/442281807.db2.gz JJSGIJHUPPLJEC-UHFFFAOYSA-N 2 0 345.535 1.663 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000153696176 442296638 /nfs/dbraw/zinc/29/66/38/442296638.db2.gz MQAGWXBRMVPFKB-AWEZNQCLSA-N 2 0 325.478 1.607 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000171161340 442321506 /nfs/dbraw/zinc/32/15/06/442321506.db2.gz OUSYUEDAHXHFKY-UHFFFAOYSA-N 2 0 345.491 1.830 20 0 EDADRP COCC[N@H+](C)CCNC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000171189193 442324785 /nfs/dbraw/zinc/32/47/85/442324785.db2.gz JATROWNBJBENJG-MRXNPFEDSA-N 2 0 328.501 1.374 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NCCCC[N@@H+]2CCC[C@H]2CO)c1 ZINC000131377086 442371193 /nfs/dbraw/zinc/37/11/93/442371193.db2.gz WGVICJCJIGNRQD-SFHVURJKSA-N 2 0 333.476 1.715 20 0 EDADRP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000155697177 442420175 /nfs/dbraw/zinc/42/01/75/442420175.db2.gz LJDICQFNYVBIOU-KSSFIOAISA-N 2 0 333.476 1.633 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCC[NH+](C)C)CC2)cc1 ZINC000133549431 442423793 /nfs/dbraw/zinc/42/37/93/442423793.db2.gz QCLZXVXIAREOSK-UHFFFAOYSA-N 2 0 348.491 1.768 20 0 EDADRP CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCc1cn2ccccc2n1 ZINC000155806514 442428489 /nfs/dbraw/zinc/42/84/89/442428489.db2.gz SFHSILRPNVQFNP-INIZCTEOSA-N 2 0 329.448 1.858 20 0 EDADRP C[NH+](CCOCC[N@@H+](C)CC1CCOCC1)CC1CCOCC1 ZINC000155895351 442435100 /nfs/dbraw/zinc/43/51/00/442435100.db2.gz GBIPPSWRAJLSKS-UHFFFAOYSA-N 2 0 328.497 1.720 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000178875595 442511293 /nfs/dbraw/zinc/51/12/93/442511293.db2.gz HZGWBZVBFUZNOY-GOSISDBHSA-N 2 0 344.503 1.705 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134883412 442532026 /nfs/dbraw/zinc/53/20/26/442532026.db2.gz MWTVKQCFBUEGPR-IEZWGBDMSA-N 2 0 338.492 1.492 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000172753206 442533429 /nfs/dbraw/zinc/53/34/29/442533429.db2.gz LAGQIGHCGLGVKI-IBGZPJMESA-N 2 0 344.503 1.600 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000192094070 442590152 /nfs/dbraw/zinc/59/01/52/442590152.db2.gz ZODCRHZKEXVGFJ-XUWVNRHRSA-N 2 0 333.476 1.895 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N(Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000186590219 442567539 /nfs/dbraw/zinc/56/75/39/442567539.db2.gz NTQJFJNGRBZYJK-IAGOWNOFSA-N 2 0 348.516 1.647 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)[C@](C)([NH3+])c3ccccc3)CC2)c1 ZINC000192528740 442658718 /nfs/dbraw/zinc/65/87/18/442658718.db2.gz MYVQVNRQZJSWNY-LJQANCHMSA-N 2 0 340.427 1.613 20 0 EDADRP CCOCCO[C@H]1CC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192775990 442685538 /nfs/dbraw/zinc/68/55/38/442685538.db2.gz OXOXPKAZNRFUNH-SFHVURJKSA-N 2 0 327.513 1.530 20 0 EDADRP C[C@@H](CNC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1)[N@H+](C)C1CC1 ZINC000246514482 442788058 /nfs/dbraw/zinc/78/80/58/442788058.db2.gz VBCCSEDNHYBEEQ-RRFJBIMHSA-N 2 0 326.485 1.268 20 0 EDADRP CN(CC[N@H+](C)C[C@H](O)CCc1ccccc1)C1CC[NH+](C)CC1 ZINC000182577701 442790015 /nfs/dbraw/zinc/79/00/15/442790015.db2.gz FEIUHHSRWKHXIX-HXUWFJFHSA-N 2 0 333.520 1.938 20 0 EDADRP CO[C@H]1CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000267858386 442770472 /nfs/dbraw/zinc/77/04/72/442770472.db2.gz OPVLNIFBODOPPR-KRWDZBQOSA-N 2 0 347.463 1.024 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)C1 ZINC000246400001 442778860 /nfs/dbraw/zinc/77/88/60/442778860.db2.gz LHIVYTGQKHXSBO-AEFFLSMTSA-N 2 0 339.524 1.874 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000268036499 442825719 /nfs/dbraw/zinc/82/57/19/442825719.db2.gz WRONEBABZPALKR-SJLPKXTDSA-N 2 0 335.492 1.980 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCC[NH+]1CCc2ccccc2C1 ZINC000268142442 442867500 /nfs/dbraw/zinc/86/75/00/442867500.db2.gz RIXRNOYOCWRZOP-DNVCBOLYSA-N 2 0 342.487 1.827 20 0 EDADRP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000183226529 442907215 /nfs/dbraw/zinc/90/72/15/442907215.db2.gz IJQBRPBBMMAZND-SJORKVTESA-N 2 0 346.475 1.721 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000189448773 442955934 /nfs/dbraw/zinc/95/59/34/442955934.db2.gz ISTLIYSXUIQWDG-QGZVFWFLSA-N 2 0 346.475 1.677 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000189448751 442956186 /nfs/dbraw/zinc/95/61/86/442956186.db2.gz ISTLIYSXUIQWDG-KRWDZBQOSA-N 2 0 346.475 1.677 20 0 EDADRP COc1cccc([C@@H](CNC(=O)NC[C@@H]2CCC[N@@H+]2C)[NH+](C)C)c1 ZINC000249748143 443003168 /nfs/dbraw/zinc/00/31/68/443003168.db2.gz OIZOODXFTIYMKL-DOTOQJQBSA-N 2 0 334.464 1.691 20 0 EDADRP C[C@@H]([NH2+]C[C@H](O)c1cnn(C)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268904172 443142325 /nfs/dbraw/zinc/14/23/25/443142325.db2.gz PLZZGANXHZKLAD-KDOFPFPSSA-N 2 0 332.448 1.745 20 0 EDADRP CC(C)[C@@H](CNC(=O)[C@H]1CSCN1)[N@@H+]1CCc2ccccc2C1 ZINC000236688525 443144031 /nfs/dbraw/zinc/14/40/31/443144031.db2.gz WWPQSUDFWBMCPA-IAGOWNOFSA-N 2 0 333.501 1.848 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCSC[C@H](C)C2)C1 ZINC000190463450 443113908 /nfs/dbraw/zinc/11/39/08/443113908.db2.gz PEPCUPATXCNTOU-HZPDHXFCSA-N 2 0 343.537 1.144 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[NH2+]CCO2)cc1 ZINC000237348810 443169415 /nfs/dbraw/zinc/16/94/15/443169415.db2.gz XWPDFGVEMBZVAK-QAPCUYQASA-N 2 0 331.460 1.666 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]Cc2nccn2-c2ccccc2)CC1 ZINC000190747461 443175085 /nfs/dbraw/zinc/17/50/85/443175085.db2.gz XAIOJRWWLWPLPK-UHFFFAOYSA-N 2 0 327.476 1.988 20 0 EDADRP CN(C)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)Cc2ccccc2C1 ZINC000262041154 443181519 /nfs/dbraw/zinc/18/15/19/443181519.db2.gz YNSKAVOBNMBXBM-VAMGGRTRSA-N 2 0 343.515 1.832 20 0 EDADRP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2CO)CC[N@@H+]1C ZINC000269055319 443185176 /nfs/dbraw/zinc/18/51/76/443185176.db2.gz SAGYKBCQJZRQQK-VBSBHUPXSA-N 3 0 331.504 1.942 20 0 EDADRP O=C([C@@H]1[NH2+]CCc2ccccc21)N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000237967639 443190479 /nfs/dbraw/zinc/19/04/79/443190479.db2.gz BBSHXHRPMVCIAL-CRAIPNDOSA-N 2 0 329.444 1.054 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)COc1ccc(F)cc1 ZINC000299436922 318902959 /nfs/dbraw/zinc/90/29/59/318902959.db2.gz UIHSDAZBXXVEDM-UHFFFAOYSA-N 2 0 339.455 1.937 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262854023 443215016 /nfs/dbraw/zinc/21/50/16/443215016.db2.gz VRGGJPUIFBRGTQ-OAGGEKHMSA-N 2 0 333.480 1.658 20 0 EDADRP C[C@H]([NH3+])CCC(=O)NCc1cccc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000262861445 443215901 /nfs/dbraw/zinc/21/59/01/443215901.db2.gz UECHFCZYKUYVMG-WMLDXEAASA-N 2 0 346.475 1.128 20 0 EDADRP COCCN(CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382909635 319124796 /nfs/dbraw/zinc/12/47/96/319124796.db2.gz WMDASTKCCMTSSL-LSDHHAIUSA-N 2 0 329.485 1.800 20 0 EDADRP C[C@@H]1CCN(C(=O)COC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382730399 319125189 /nfs/dbraw/zinc/12/51/89/319125189.db2.gz AIKJFFTZGKSUQF-QGZVFWFLSA-N 2 0 345.487 1.878 20 0 EDADRP C[C@@H]1C[C@@H](C)[N@H+](CCCN2C(=O)c3ccccc3C2=O)C[C@@H]1C[NH3+] ZINC000397465524 319134807 /nfs/dbraw/zinc/13/48/07/319134807.db2.gz STHBOBBNKRWUCF-KFWWJZLASA-N 2 0 329.444 1.978 20 0 EDADRP Cc1cnn(C)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397578688 319135274 /nfs/dbraw/zinc/13/52/74/319135274.db2.gz DRXLRGXKMUUPSE-UHFFFAOYSA-N 2 0 328.460 1.845 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000413511785 319272860 /nfs/dbraw/zinc/27/28/60/319272860.db2.gz XCDONMIQIJFLQF-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP Cc1nc([C@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cs1 ZINC000414201672 319319194 /nfs/dbraw/zinc/31/91/94/319319194.db2.gz SXMHGHAHYNBPIR-AWEZNQCLSA-N 2 0 338.521 1.899 20 0 EDADRP Cn1ncc2c1CCC[C@H]2[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414206219 319319906 /nfs/dbraw/zinc/31/99/06/319319906.db2.gz YABXYWYVJSAADJ-QGZVFWFLSA-N 2 0 347.507 1.184 20 0 EDADRP O=C(NCCC[NH+]1CCCC1)C(=O)Nc1ccc2c(c1F)CC[NH2+]C2 ZINC000414666346 319338456 /nfs/dbraw/zinc/33/84/56/319338456.db2.gz WQTDAZRWPQUSRW-UHFFFAOYSA-N 2 0 348.422 1.012 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC[NH2+]1 ZINC000414671148 319339282 /nfs/dbraw/zinc/33/92/82/319339282.db2.gz FLCCBKPBRYEVKW-KURKYZTESA-N 2 0 336.524 1.393 20 0 EDADRP CC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)C[C@H]1COc2ccccc2O1 ZINC000414673424 319339707 /nfs/dbraw/zinc/33/97/07/319339707.db2.gz CFYGZOCNXSXDCV-HOTGVXAUSA-N 2 0 347.459 1.346 20 0 EDADRP O=C(NCC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000414692270 319343168 /nfs/dbraw/zinc/34/31/68/319343168.db2.gz APIPKTLXVZIGCY-UHFFFAOYSA-N 2 0 344.459 1.263 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NCCCC[NH3+] ZINC000415241165 319355554 /nfs/dbraw/zinc/35/55/54/319355554.db2.gz RKABCWTWIUMGBW-UHFFFAOYSA-N 2 0 349.479 1.698 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)C(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415243148 319356249 /nfs/dbraw/zinc/35/62/49/319356249.db2.gz VHQMYMKEDBZTIQ-CQSZACIVSA-N 2 0 334.464 1.581 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000415243253 319356410 /nfs/dbraw/zinc/35/64/10/319356410.db2.gz VUMHREWUQCVJGH-AWEZNQCLSA-N 2 0 334.464 1.580 20 0 EDADRP Cc1cc(NC(=O)C(=O)N[C@@H](C)CCCC[NH3+])ccc1C[NH+](C)C ZINC000415746462 319369501 /nfs/dbraw/zinc/36/95/01/319369501.db2.gz VCBXRRIYABCZNO-AWEZNQCLSA-N 2 0 334.464 1.629 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@@H](CC[NH3+])C(F)(F)F)c1ccccc1 ZINC000415999999 319388859 /nfs/dbraw/zinc/38/88/59/319388859.db2.gz XJARSLCDYIJUDF-STQMWFEESA-N 2 0 332.370 1.868 20 0 EDADRP CCC(CC)[C@H](CNC(=O)N[C@H](CC[NH3+])C(F)(F)F)[NH+](C)C ZINC000416005783 319389667 /nfs/dbraw/zinc/38/96/67/319389667.db2.gz KHEFOFOAHPJVQO-NWDGAFQWSA-N 2 0 326.407 1.932 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1)c1cccs1 ZINC000416432251 319424359 /nfs/dbraw/zinc/42/43/59/319424359.db2.gz DXIKOJYTMZEPPQ-QLFBSQMISA-N 2 0 336.505 1.992 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH2+][C@@H]2CCC[C@@H](C)[C@@H]2C)C1 ZINC000246048266 443263838 /nfs/dbraw/zinc/26/38/38/443263838.db2.gz AOJRENWNFDJHPO-XMTFNYHQSA-N 2 0 339.524 1.874 20 0 EDADRP O=C(NC1CC[NH+](CCOc2ccc(F)cc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000269278618 443264391 /nfs/dbraw/zinc/26/43/91/443264391.db2.gz YUMPIEIAPZYDOK-SFHVURJKSA-N 2 0 349.450 1.927 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000416809954 319462473 /nfs/dbraw/zinc/46/24/73/319462473.db2.gz JPXLSHOUBYDQFG-INIZCTEOSA-N 2 0 340.512 1.694 20 0 EDADRP COC[C@@]1(CNC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000416826544 319464354 /nfs/dbraw/zinc/46/43/54/319464354.db2.gz BWHYQICAMRMKLQ-HKUYNNGSSA-N 2 0 348.491 1.227 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCC[NH2+]C1)[NH+]1CCOCC1 ZINC000416944670 319481719 /nfs/dbraw/zinc/48/17/19/319481719.db2.gz DIPLXXSMCDSBMP-DOTOQJQBSA-N 2 0 340.512 1.422 20 0 EDADRP CCC[NH2+]CCNC(=O)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000417909237 319497471 /nfs/dbraw/zinc/49/74/71/319497471.db2.gz JWBHFZMIAPOQAX-HZPDHXFCSA-N 2 0 326.485 1.053 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)CC1 ZINC000418621347 319507749 /nfs/dbraw/zinc/50/77/49/319507749.db2.gz SFLFMFZBVVCYCH-WBVHZDCISA-N 2 0 340.512 1.517 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)C(=O)N2CCC[C@@H]2C[NH3+])cc1 ZINC000419011668 319541957 /nfs/dbraw/zinc/54/19/57/319541957.db2.gz SRCMDVOZLWJQCZ-QGZVFWFLSA-N 2 0 346.475 1.094 20 0 EDADRP COc1ccc(O)c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1 ZINC000267228539 443385698 /nfs/dbraw/zinc/38/56/98/443385698.db2.gz VOXKOBMMMFEXGL-UHFFFAOYSA-N 2 0 337.464 1.746 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264652734 443362487 /nfs/dbraw/zinc/36/24/87/443362487.db2.gz GSJSSEXGXNQKCY-SFHVURJKSA-N 2 0 330.476 1.258 20 0 EDADRP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000420369650 319611728 /nfs/dbraw/zinc/61/17/28/319611728.db2.gz BXPYZTZYJYKYEN-XJNFMUPTSA-N 2 0 325.497 1.898 20 0 EDADRP CC[C@@H](C)OCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000269763917 443430757 /nfs/dbraw/zinc/43/07/57/443430757.db2.gz ZNVZVDSMTLADPP-MRXNPFEDSA-N 2 0 334.464 1.525 20 0 EDADRP CC(C)NS(=O)(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422742055 319736762 /nfs/dbraw/zinc/73/67/62/319736762.db2.gz QZHULTWSBGOYKI-YOEHRIQHSA-N 2 0 339.505 1.851 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000422946918 319739857 /nfs/dbraw/zinc/73/98/57/319739857.db2.gz PSZADSYLVOKFCW-IRXDYDNUSA-N 2 0 337.489 1.557 20 0 EDADRP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000423184659 319755209 /nfs/dbraw/zinc/75/52/09/319755209.db2.gz MNFWTCCMPBTQCJ-SJORKVTESA-N 2 0 325.497 1.773 20 0 EDADRP C[C@H]1CC[NH2+][C@@H](C(=O)Nc2cccc(C[NH+]3CCC(O)CC3)c2)C1 ZINC000423318050 319763821 /nfs/dbraw/zinc/76/38/21/319763821.db2.gz BXVAABSOIZWRKX-KBXCAEBGSA-N 2 0 331.460 1.970 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)Nc1cccc(N2CC[NH+](C(C)C)CC2)c1 ZINC000423837785 319821062 /nfs/dbraw/zinc/82/10/62/319821062.db2.gz GTHOQDYMDLUGKD-QGZVFWFLSA-N 2 0 334.464 1.519 20 0 EDADRP C[C@@H]([NH2+]CCC(=O)N1CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272376593 443606574 /nfs/dbraw/zinc/60/65/74/443606574.db2.gz BJGXVFPGQYAJLM-IEBWSBKVSA-N 2 0 345.487 1.736 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCc2ccccc2C1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279928069 443643968 /nfs/dbraw/zinc/64/39/68/443643968.db2.gz QRZOAGMJILVMID-RTBURBONSA-N 2 0 343.471 1.149 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[NH+](CC2CCOCC2)CC1 ZINC000439963552 320056068 /nfs/dbraw/zinc/05/60/68/320056068.db2.gz SMHYZDUGEAHBEK-LJQANCHMSA-N 2 0 349.519 1.964 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+]1C1CC1 ZINC000280110218 443665771 /nfs/dbraw/zinc/66/57/71/443665771.db2.gz FEPMXZOUMXBSDQ-RTBURBONSA-N 2 0 343.471 1.496 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)NCC2([NH+](C)C)CCC2)C[C@H](C)O1 ZINC000445838727 320130431 /nfs/dbraw/zinc/13/04/31/320130431.db2.gz AQJRXTURQXEKON-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2NC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000449369600 320185212 /nfs/dbraw/zinc/18/52/12/320185212.db2.gz FEYOBYALOACHOU-DFJAVSSHSA-N 2 0 327.472 1.940 20 0 EDADRP COCC1(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)CC[NH2+]CC1 ZINC000449519309 320193739 /nfs/dbraw/zinc/19/37/39/320193739.db2.gz PUWQMRXAFLOQQX-LJQANCHMSA-N 2 0 331.460 1.050 20 0 EDADRP O=C(N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449702137 320199993 /nfs/dbraw/zinc/19/99/93/320199993.db2.gz RSBCUZARCZNSLB-FUHIMQAGSA-N 2 0 327.472 1.766 20 0 EDADRP C[NH+]1CCN(Cc2cccc(C(=O)N[C@H]3CC[NH2+]C3(C)C)c2)CC1 ZINC000449756104 320205248 /nfs/dbraw/zinc/20/52/48/320205248.db2.gz VOHCCCAAVCVBOV-KRWDZBQOSA-N 2 0 330.476 1.304 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CC(=O)NC2CCC(C)CC2)CC1 ZINC000451985773 320240457 /nfs/dbraw/zinc/24/04/57/320240457.db2.gz MTEUWYXGDNYNAW-UHFFFAOYSA-N 2 0 338.540 1.687 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)NC[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC000457452380 320326520 /nfs/dbraw/zinc/32/65/20/320326520.db2.gz HLZAFABZMHBPMU-MRXNPFEDSA-N 2 0 326.485 1.005 20 0 EDADRP CCC[NH+]1CCC(N(C)C(=O)NCC[N@@H+]2CCCOCC2)CC1 ZINC000458854025 320343266 /nfs/dbraw/zinc/34/32/66/320343266.db2.gz XCFDNMDNBCJJFT-UHFFFAOYSA-N 2 0 326.485 1.225 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)[C@H]3[NH2+]CCCC3(C)C)C2)CC1 ZINC000515063321 320430997 /nfs/dbraw/zinc/43/09/97/320430997.db2.gz RZANZHHWXLDHPB-IAGOWNOFSA-N 2 0 336.524 1.392 20 0 EDADRP C[C@@H](C[NH+](C)C)Nc1nc2c(c(N[C@@H](C)C[NH+](C)C)n1)SCC2 ZINC000286379084 443701996 /nfs/dbraw/zinc/70/19/96/443701996.db2.gz KISHTFDZJFWTES-RYUDHWBXSA-N 2 0 338.525 1.849 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)NCc2ccc(C[NH3+])cc2)CC1 ZINC000529344593 320574995 /nfs/dbraw/zinc/57/49/95/320574995.db2.gz SBORNGRFZVCXIU-UHFFFAOYSA-N 2 0 346.475 1.542 20 0 EDADRP COCC[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298794513 443869905 /nfs/dbraw/zinc/86/99/05/443869905.db2.gz UIUTXJBJWDHKJX-KRWDZBQOSA-N 2 0 335.492 1.970 20 0 EDADRP C[C@H]1C[C@H](NC[C@@H](O)C[NH+]2CCc3ccccc3C2)C[N@@H+]1C1CC1 ZINC000292913914 443877377 /nfs/dbraw/zinc/87/73/77/443877377.db2.gz FOPHEHJXNPAOPA-ZAAXVRCTSA-N 2 0 329.488 1.620 20 0 EDADRP C[C@H](O)C[NH+]1CCN(CCC[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000285314422 443939479 /nfs/dbraw/zinc/93/94/79/443939479.db2.gz NDMIGIUCEMJUGH-IBGZPJMESA-N 2 0 346.519 1.197 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1CCS(=O)(=O)CC1 ZINC000541378818 320770413 /nfs/dbraw/zinc/77/04/13/320770413.db2.gz RRIVLNSWBGMJCH-UHFFFAOYSA-N 2 0 348.472 1.880 20 0 EDADRP C[NH+](C)CCN1C(=O)C[C@H]([NH+]2CCC(c3ccc(O)cc3)CC2)C1=O ZINC000561000157 321030767 /nfs/dbraw/zinc/03/07/67/321030767.db2.gz BLPUBWQSWZYMCB-KRWDZBQOSA-N 2 0 345.443 1.261 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC[NH+](CC)CC)CC2)CC1 ZINC000561109475 321032943 /nfs/dbraw/zinc/03/29/43/321032943.db2.gz WZUODYMNDSTZKV-UHFFFAOYSA-N 2 0 338.540 1.641 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1)[C@@H]1CCC[NH2+]1 ZINC000562960176 321083892 /nfs/dbraw/zinc/08/38/92/321083892.db2.gz FKAHCIKVXVJQLQ-ILXRZTDVSA-N 2 0 329.452 1.071 20 0 EDADRP C[C@@H]1C[N@@H+](C[C@@H](O)CNc2ccccc2CC[NH+](C)C)C[C@H](C)O1 ZINC000563010787 321087698 /nfs/dbraw/zinc/08/76/98/321087698.db2.gz WOQRBCRXQKQGNY-JZXOWHBKSA-N 2 0 335.492 1.673 20 0 EDADRP C[C@H](C(=O)N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1)[NH+]1CC(C)C1 ZINC000564665267 321140287 /nfs/dbraw/zinc/14/02/87/321140287.db2.gz HMDDPTKYGKKIKC-OKZBNKHCSA-N 2 0 336.524 1.344 20 0 EDADRP O=c1[nH]c2ccccc2n1C1CC[NH+](CCN2CC[NH2+]CC2)CC1 ZINC000564989841 321162970 /nfs/dbraw/zinc/16/29/70/321162970.db2.gz MMAYVFBAMIHPPI-UHFFFAOYSA-N 2 0 329.448 1.284 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCC(C(=O)N3CCSCC3)CC2)C1 ZINC000565607891 321193890 /nfs/dbraw/zinc/19/38/90/321193890.db2.gz BUOSZXBAJVCWER-GRAKBVBRSA-N 2 0 325.522 1.980 20 0 EDADRP CCC[C@@H]1CN(C(=O)c2ccccc2CC[NH3+])CC[N@@H+]1CCOC ZINC000566075805 321213276 /nfs/dbraw/zinc/21/32/76/321213276.db2.gz GLLUJULMRPQVGH-QGZVFWFLSA-N 2 0 333.476 1.761 20 0 EDADRP CCCC(=O)Nc1cccc(C[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)c1 ZINC000566105733 321215326 /nfs/dbraw/zinc/21/53/26/321215326.db2.gz TWAPJJYCDKGJIK-SFHVURJKSA-N 2 0 348.491 1.123 20 0 EDADRP Cc1cccc(C)c1OC[C@@H](C)[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000566110367 321216162 /nfs/dbraw/zinc/21/61/62/321216162.db2.gz ZXDMVXLVFJCTMF-QZTJIDSGSA-N 2 0 335.492 1.269 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000566123816 321218609 /nfs/dbraw/zinc/21/86/09/321218609.db2.gz PGPKEICHJBAEBZ-ROUUACIJSA-N 2 0 336.476 1.825 20 0 EDADRP C[N@@H+]1CCN(C(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C(C)(C)C1 ZINC000567625742 321249375 /nfs/dbraw/zinc/24/93/75/321249375.db2.gz VSQMDGMIVMZEJP-HNNXBMFYSA-N 2 0 325.522 1.757 20 0 EDADRP [NH3+][C@H](Cc1ccccc1)C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000569481611 321327447 /nfs/dbraw/zinc/32/74/47/321327447.db2.gz LKZKXCQFLMZNDC-LJQANCHMSA-N 2 0 338.455 1.732 20 0 EDADRP [NH3+][C@@H](CCC(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)c1ccccc1 ZINC000569967427 321332362 /nfs/dbraw/zinc/33/23/62/321332362.db2.gz YOBAIPHGLFNUSK-AEFFLSMTSA-N 2 0 331.460 1.647 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)[NH+](CC)CC ZINC000571135912 321373821 /nfs/dbraw/zinc/37/38/21/321373821.db2.gz RMLKOGVVLWDKGA-ROUUACIJSA-N 2 0 338.540 1.734 20 0 EDADRP C[C@H](NC(=O)N1CCN(C)C[C@H]1C[NH3+])c1ccc(OC(F)F)cc1 ZINC000571148200 321375100 /nfs/dbraw/zinc/37/51/00/321375100.db2.gz BNMSWZZLGPXHHW-WCQYABFASA-N 2 0 342.390 1.633 20 0 EDADRP CN(CCC[N@H+](C)C[C@H]1CN(c2ccccc2)C(=O)O1)CC[NH+](C)C ZINC000289410243 444135055 /nfs/dbraw/zinc/13/50/55/444135055.db2.gz LSUXYZIMGJVQTL-SFHVURJKSA-N 2 0 348.491 1.827 20 0 EDADRP COc1ccc2c(c1)C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CO2 ZINC000574607423 321491203 /nfs/dbraw/zinc/49/12/03/321491203.db2.gz JXWZSNQAWWFCIJ-KRWDZBQOSA-N 2 0 333.476 1.616 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000289384974 444126562 /nfs/dbraw/zinc/12/65/62/444126562.db2.gz CZMSZRQMWYHYSI-QGZVFWFLSA-N 2 0 349.523 1.564 20 0 EDADRP C[N@@H+]1CC[C@H]2OCCN(C(=O)c3cccc(C[NH+]4CCCC4)c3)[C@H]2C1 ZINC000286006505 444174432 /nfs/dbraw/zinc/17/44/32/444174432.db2.gz ZHPRIGDMCIYJSS-RBUKOAKNSA-N 2 0 343.471 1.828 20 0 EDADRP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000286008903 444175089 /nfs/dbraw/zinc/17/50/89/444175089.db2.gz IAMNXOYOFKHBPK-IAGOWNOFSA-N 2 0 342.491 1.944 20 0 EDADRP C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000576463517 321568901 /nfs/dbraw/zinc/56/89/01/321568901.db2.gz OFZFDZWBEITNFX-IAGOWNOFSA-N 2 0 347.507 1.229 20 0 EDADRP CN(c1ccccc1CNC[C@](C)(O)C[NH+](C)C)C1CC[NH+](C)CC1 ZINC000305219199 444266038 /nfs/dbraw/zinc/26/60/38/444266038.db2.gz KLPZUBQBVZJKOW-FQEVSTJZSA-N 2 0 348.535 1.619 20 0 EDADRP C[C@@H](O)C[C@H]1CCC[N@@H+]1CCC(=O)N1CCN(c2ccccn2)CC1 ZINC000305219203 444266117 /nfs/dbraw/zinc/26/61/17/444266117.db2.gz KLUYWTRERCWALK-IAGOWNOFSA-N 2 0 346.475 1.356 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)C(=O)NC2CCCC2)CC1 ZINC000303345866 444236504 /nfs/dbraw/zinc/23/65/04/444236504.db2.gz ZVEZPEFMSYXDTM-GJZGRUSLSA-N 2 0 325.497 1.458 20 0 EDADRP CC[C@H]1CN(C(=O)NCc2ccc3c[nH+]cn3c2)CC[N@@H+]1CCOC ZINC000297649474 444313279 /nfs/dbraw/zinc/31/32/79/444313279.db2.gz VQVBHHCQHMRHNP-INIZCTEOSA-N 2 0 345.447 1.587 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCc1ccc2c[nH+]cn2c1 ZINC000297694912 444319983 /nfs/dbraw/zinc/31/99/83/444319983.db2.gz XSWIVEQGHDWMAM-CQSZACIVSA-N 2 0 345.447 1.321 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000578191323 321735557 /nfs/dbraw/zinc/73/55/57/321735557.db2.gz AXYRZOITDHRYAK-SFHVURJKSA-N 2 0 348.491 1.471 20 0 EDADRP O=C(C[NH2+][C@@H]1CCc2c1cccc2O)NC1CC[NH+](C2CC2)CC1 ZINC000578604727 321800173 /nfs/dbraw/zinc/80/01/73/321800173.db2.gz NNIGNHVIIAMFBV-QGZVFWFLSA-N 2 0 329.444 1.712 20 0 EDADRP CC(C)[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[NH+]1CCN(C)CC1 ZINC000327526547 444383385 /nfs/dbraw/zinc/38/33/85/444383385.db2.gz IYDJLHOLWFEYOR-NZSAHSFTSA-N 2 0 346.519 1.711 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C[C@@H](O)COCc2ccccc2)CC1 ZINC000579112772 321885391 /nfs/dbraw/zinc/88/53/91/321885391.db2.gz NDZJSFKZJNZAOH-LJQANCHMSA-N 2 0 335.492 1.180 20 0 EDADRP C[C@@H](C(=O)NCCC1=CCCCC1)N1CCN(c2ncc[nH]2)CC1 ZINC000581108502 322135781 /nfs/dbraw/zinc/13/57/81/322135781.db2.gz NSQADVLTXHQMLP-HNNXBMFYSA-N 2 0 331.464 1.927 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000581248070 322154732 /nfs/dbraw/zinc/15/47/32/322154732.db2.gz LBJSNMWSIZLZPC-MSOLQXFVSA-N 2 0 337.508 1.770 20 0 EDADRP O=C(NCC[C@@H]1CC[NH2+]C1)NCC1([NH+]2CCSCC2)CCCC1 ZINC000581359166 322167760 /nfs/dbraw/zinc/16/77/60/322167760.db2.gz VQXYSSMMXCXXFA-HNNXBMFYSA-N 2 0 340.537 1.647 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000581478101 322181888 /nfs/dbraw/zinc/18/18/88/322181888.db2.gz DRRTZMXTPCYCEB-RYQLBKOJSA-N 2 0 330.476 1.948 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)c1ccc(Cl)cc1 ZINC000581546458 322190839 /nfs/dbraw/zinc/19/08/39/322190839.db2.gz QDVJADNTELSUBQ-KFWWJZLASA-N 2 0 325.840 1.565 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)N3CCC[C@H](C(F)(F)F)C3)C[C@@H]21 ZINC000342129750 444524274 /nfs/dbraw/zinc/52/42/74/444524274.db2.gz HHIGVMYEQBKXBU-ZOBORPQBSA-N 2 0 333.398 1.847 20 0 EDADRP CN(C)c1ncc(CNC(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)n1C ZINC000332839978 444569318 /nfs/dbraw/zinc/56/93/18/444569318.db2.gz IUEBEIDZGOPODX-HIFRSBDPSA-N 2 0 334.468 1.112 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000340857640 444546590 /nfs/dbraw/zinc/54/65/90/444546590.db2.gz ICWZHCKBZRNLIO-ROUUACIJSA-N 2 0 332.492 1.943 20 0 EDADRP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1COc2ccccc21 ZINC000332887134 444586939 /nfs/dbraw/zinc/58/69/39/444586939.db2.gz BSBPNNOCQYZVLO-KDOFPFPSSA-N 2 0 343.471 1.884 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O)C1CCCCC1 ZINC000343781025 444587076 /nfs/dbraw/zinc/58/70/76/444587076.db2.gz ACLFLHCACUKORN-NPYXIHBLSA-N 2 0 335.492 1.428 20 0 EDADRP C[C@@H]1C[N@H+](CCCO[C@H]2CCCCO2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000338283712 444610833 /nfs/dbraw/zinc/61/08/33/444610833.db2.gz SVWNEBITDHQSEM-QRVBRYPASA-N 2 0 339.524 1.878 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000338382040 444664470 /nfs/dbraw/zinc/66/44/70/444664470.db2.gz GGARKGDPRZLMJU-KRWDZBQOSA-N 2 0 346.519 1.894 20 0 EDADRP C[C@@H]1CCCN1C(=O)CC[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343919646 444669083 /nfs/dbraw/zinc/66/90/83/444669083.db2.gz GXELZUDWBDMLJE-KURKYZTESA-N 2 0 336.524 1.345 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000333589646 444683014 /nfs/dbraw/zinc/68/30/14/444683014.db2.gz UZPKEGXGBAWRLJ-RYNCQERQSA-N 2 0 334.508 1.909 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000333143004 444641971 /nfs/dbraw/zinc/64/19/71/444641971.db2.gz JQQNEQHANJBHCC-KDOFPFPSSA-N 2 0 345.491 1.866 20 0 EDADRP OC[C@@H]1CCCN1c1cc(N2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ncn1 ZINC000333895636 444711602 /nfs/dbraw/zinc/71/16/02/444711602.db2.gz YGDPTVHUWRBVLN-OAGGEKHMSA-N 2 0 331.464 1.264 20 0 EDADRP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1OC ZINC000344022905 444733787 /nfs/dbraw/zinc/73/37/87/444733787.db2.gz PJRIEQYFBWRZFB-GOEBONIOSA-N 2 0 349.475 1.942 20 0 EDADRP O=C(NC1CCC(N2CC[NH2+]CC2)CC1)N1CC[NH+](C2CCC2)CC1 ZINC000333707009 444692010 /nfs/dbraw/zinc/69/20/10/444692010.db2.gz RQMZEWUNJIIVKD-UHFFFAOYSA-N 2 0 349.523 1.083 20 0 EDADRP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)C12CCC2 ZINC000344138477 444802040 /nfs/dbraw/zinc/80/20/40/444802040.db2.gz NJPJCWFAIACFDA-ROUUACIJSA-N 2 0 339.524 1.314 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000342691675 444816430 /nfs/dbraw/zinc/81/64/30/444816430.db2.gz IHNXJSCEQNFXCT-YOEHRIQHSA-N 2 0 347.459 1.609 20 0 EDADRP [NH3+]CCCOC1CC[NH+](CC(=O)N2CCC[C@H]3CCCC[C@H]32)CC1 ZINC000336877790 444823393 /nfs/dbraw/zinc/82/33/93/444823393.db2.gz WMHYUSRMSINFNC-SJLPKXTDSA-N 2 0 337.508 1.997 20 0 EDADRP Cc1nn(C)c(C)c1[C@H]1[C@H]([NH2+][C@@H]2C[C@H](C)N(C3CC3)C2)CC(=O)N1C ZINC000330178940 444875513 /nfs/dbraw/zinc/87/55/13/444875513.db2.gz FAMQQXXROLUPSF-KSHUBEPDSA-N 2 0 345.491 1.524 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342889265 444921301 /nfs/dbraw/zinc/92/13/01/444921301.db2.gz FJPFBENGLDQKCX-OAHLLOKOSA-N 2 0 331.460 1.841 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)N3CCN(C)C[C@@H]3C)cc2)CC1 ZINC000344369847 444924415 /nfs/dbraw/zinc/92/44/15/444924415.db2.gz XPBQCXUAZUOULH-KRWDZBQOSA-N 2 0 344.503 1.993 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000330539249 445025191 /nfs/dbraw/zinc/02/51/91/445025191.db2.gz YOKQIUYHQMCDST-GJZGRUSLSA-N 2 0 329.448 1.463 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000337326131 445034310 /nfs/dbraw/zinc/03/43/10/445034310.db2.gz VWERSUGBASCMCH-RBUKOAKNSA-N 3 0 340.556 1.351 20 0 EDADRP C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000341882520 445050945 /nfs/dbraw/zinc/05/09/45/445050945.db2.gz CNEULVZZJODNLE-AEFFLSMTSA-N 2 0 333.476 1.244 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)CN2CCOCC2)CC1 ZINC000337464478 445092031 /nfs/dbraw/zinc/09/20/31/445092031.db2.gz LYNPYFYKWKOFRZ-GOSISDBHSA-N 2 0 326.529 1.055 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000337568052 445141160 /nfs/dbraw/zinc/14/11/60/445141160.db2.gz XMYIRJUHDDCEHD-BRWVUGGUSA-N 2 0 338.496 1.269 20 0 EDADRP COc1cccc(CNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342095315 445169625 /nfs/dbraw/zinc/16/96/25/445169625.db2.gz GAVMOFYLSKXOTJ-QXRTWZOPSA-N 2 0 331.460 1.759 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)[C@@H]3CCC[N@@H+]3C3CCOCC3)C2)CC1 ZINC000339460818 445144383 /nfs/dbraw/zinc/14/43/83/445144383.db2.gz JRPAMTJODBEOLZ-MJGOQNOKSA-N 2 0 349.519 1.820 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCc1nc(C)no1 ZINC000337582161 445150843 /nfs/dbraw/zinc/15/08/43/445150843.db2.gz ORRJNDCXUROLFQ-HNNXBMFYSA-N 2 0 337.468 1.185 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000347206065 445234339 /nfs/dbraw/zinc/23/43/39/445234339.db2.gz DZDSDMBJXPGVKQ-NVXWUHKLSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCN1CCCS1(=O)=O ZINC000348301417 445247628 /nfs/dbraw/zinc/24/76/28/445247628.db2.gz HSESPDGQRPKYIO-HOTGVXAUSA-N 2 0 331.526 1.512 20 0 EDADRP CCCC[N@H+](C)CCNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000351639925 445254200 /nfs/dbraw/zinc/25/42/00/445254200.db2.gz RZPNQTDNTJWTLO-MRXNPFEDSA-N 2 0 327.517 1.044 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CCC[NH+](C)[C@@H]2C)C[C@H](C)O1 ZINC000343607020 445261145 /nfs/dbraw/zinc/26/11/45/445261145.db2.gz AZAFOKICAFTYBA-QKPAOTATSA-N 2 0 326.485 1.268 20 0 EDADRP C[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)[N@@H+]1CCCC[C@@H]1C ZINC000348206445 445316287 /nfs/dbraw/zinc/31/62/87/445316287.db2.gz OZMHMUALYCPVGS-JKSUJKDBSA-N 2 0 340.512 1.347 20 0 EDADRP CC[C@@H](C(=O)NC(C)(C)CC[NH+]1CCN(C)CC1)[NH+](CC)CC ZINC000354510900 445271137 /nfs/dbraw/zinc/27/11/37/445271137.db2.gz MMUJNSNQPAWRBH-INIZCTEOSA-N 2 0 326.529 1.639 20 0 EDADRP O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000343640208 445276523 /nfs/dbraw/zinc/27/65/23/445276523.db2.gz LWPQPPSELSTQLA-OALUTQOASA-N 2 0 342.487 1.157 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000351701404 445278747 /nfs/dbraw/zinc/27/87/47/445278747.db2.gz XFLAXGIJAATZEV-HOTGVXAUSA-N 2 0 326.485 1.271 20 0 EDADRP Cc1nc2sccn2c(=O)c1CC[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351854617 445344439 /nfs/dbraw/zinc/34/44/39/445344439.db2.gz ODXNSDKWRVUTJP-UHFFFAOYSA-N 2 0 334.489 1.881 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000348557917 445325439 /nfs/dbraw/zinc/32/54/39/445325439.db2.gz RKSCWEWDWRRQIG-BEFAXECRSA-N 2 0 341.459 1.871 20 0 EDADRP O=C1c2ccccc2C(=O)N1CCCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357078797 445412341 /nfs/dbraw/zinc/41/23/41/445412341.db2.gz LZXHJEIMKDDPLC-CABCVRRESA-N 2 0 327.428 1.604 20 0 EDADRP CO[C@@]1(C)C[C@@H]([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000362439885 445382411 /nfs/dbraw/zinc/38/24/11/445382411.db2.gz PYGMBUABELJCDJ-APWZRJJASA-N 2 0 337.508 1.865 20 0 EDADRP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOCC[NH3+])C2)cc1 ZINC000357110466 445434502 /nfs/dbraw/zinc/43/45/02/445434502.db2.gz XLWONDCJINXYEH-INIZCTEOSA-N 2 0 334.464 1.804 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@H]2CC[NH+]3CCCC[C@H]23)CC1 ZINC000354957797 445436175 /nfs/dbraw/zinc/43/61/75/445436175.db2.gz GYSHBEZTIKKTFK-DLBZAZTESA-N 2 0 338.496 1.101 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC000348906804 445436847 /nfs/dbraw/zinc/43/68/47/445436847.db2.gz BPXTYUCYWAHRSI-IRXDYDNUSA-N 2 0 345.487 1.348 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)C1 ZINC000362564829 445442705 /nfs/dbraw/zinc/44/27/05/445442705.db2.gz OHQIKIBRDSVIHH-CABCVRRESA-N 2 0 333.480 1.729 20 0 EDADRP O=C(C[N@@H+]1CCC[C@H]1C1CCOCC1)NC1CC[NH+](C2CC2)CC1 ZINC000348952611 445453044 /nfs/dbraw/zinc/45/30/44/445453044.db2.gz VXBXEAVLGPPIIU-SFHVURJKSA-N 2 0 335.492 1.620 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1c(Cl)cnn1C ZINC000349036243 445483844 /nfs/dbraw/zinc/48/38/44/445483844.db2.gz ODCHFWQITYDKQP-CQSZACIVSA-N 2 0 327.904 1.921 20 0 EDADRP COC[C@@]1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCC[NH2+]1 ZINC000357257048 445510959 /nfs/dbraw/zinc/51/09/59/445510959.db2.gz LADIBJIBHKDSRU-IBGZPJMESA-N 2 0 331.460 1.781 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)NC[C@@]1(O)CC[N@H+](C)C1)[NH+](C)C ZINC000357295016 445531617 /nfs/dbraw/zinc/53/16/17/445531617.db2.gz ZJSKEKIYWGOEIX-IEZWGBDMSA-N 2 0 348.491 1.352 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc2oc(=O)n(CC[NH+](C)C)c2c1 ZINC000362663030 445485204 /nfs/dbraw/zinc/48/52/04/445485204.db2.gz KMSHCMQBCZWBER-OCCSQVGLSA-N 2 0 346.431 1.292 20 0 EDADRP C[NH+](C)CC[C@](C)(O)CNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000352122136 445506541 /nfs/dbraw/zinc/50/65/41/445506541.db2.gz SXNNCBUTTLNILM-HKUYNNGSSA-N 2 0 333.476 1.470 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)c2ccn([C@H]3CCC[NH2+]C3)n2)C1 ZINC000362799620 445555356 /nfs/dbraw/zinc/55/53/56/445555356.db2.gz WVKQVDUGDIFCST-SJORKVTESA-N 2 0 345.491 1.612 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000353096212 445575467 /nfs/dbraw/zinc/57/54/67/445575467.db2.gz ILTBLWAKVQCMNH-OAHLLOKOSA-N 2 0 327.517 1.042 20 0 EDADRP CC(C)[C@H]1CN(C(=O)NC[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1C ZINC000362856707 445582899 /nfs/dbraw/zinc/58/28/99/445582899.db2.gz SHXBORPCVLPBKJ-GDBMZVCRSA-N 2 0 328.526 1.405 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2C[N@H+](C)C[C@@H]2C)CC1 ZINC000362856162 445583424 /nfs/dbraw/zinc/58/34/24/445583424.db2.gz PZZVGHXTYQPFES-RDJZCZTQSA-N 2 0 325.497 1.534 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000360170794 445610266 /nfs/dbraw/zinc/61/02/66/445610266.db2.gz KWVJRSCQSPVAMG-UHFFFAOYSA-N 2 0 340.512 1.215 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000353466742 445614538 /nfs/dbraw/zinc/61/45/38/445614538.db2.gz JDFLDUJCGWEUOK-ROUUACIJSA-N 2 0 339.524 1.970 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)NC[C@H]1Cc2ccccc2O1 ZINC000358515564 445627976 /nfs/dbraw/zinc/62/79/76/445627976.db2.gz ZENLXZZBHQKBRN-MRXNPFEDSA-N 2 0 329.444 1.182 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000358518506 445629689 /nfs/dbraw/zinc/62/96/89/445629689.db2.gz KDRBOMDARFTZGK-HNNXBMFYSA-N 2 0 336.480 1.719 20 0 EDADRP CO[C@H](C[NH3+])C(=O)Nc1ccc(NC(=O)CC[NH+]2CCCCC2)cc1 ZINC000353506700 445634720 /nfs/dbraw/zinc/63/47/20/445634720.db2.gz DJJHGTWRAIADHZ-MRXNPFEDSA-N 2 0 348.447 1.413 20 0 EDADRP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)C1(C(=O)OC)CCC1 ZINC000353532215 445645739 /nfs/dbraw/zinc/64/57/39/445645739.db2.gz CBCOLWRATXBKEC-QGZVFWFLSA-N 2 0 339.524 1.972 20 0 EDADRP C[N@H+](CCNC(=O)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CCCC1 ZINC000363013060 445648907 /nfs/dbraw/zinc/64/89/07/445648907.db2.gz BMCHMVMOAADHPH-IRXDYDNUSA-N 2 0 338.496 1.101 20 0 EDADRP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)C1(C(=O)OC)CCC1 ZINC000353543069 445650430 /nfs/dbraw/zinc/65/04/30/445650430.db2.gz OPACJPOBXUISCQ-IRXDYDNUSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000360393426 445705174 /nfs/dbraw/zinc/70/51/74/445705174.db2.gz CCCGELUQMLXBFZ-VYDXJSESSA-N 2 0 342.553 1.843 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N2CC[C@@H]3CC[NH+](C)C[C@@H]32)C[C@H](C)O1 ZINC000353695105 445712249 /nfs/dbraw/zinc/71/22/49/445712249.db2.gz PHRFIDIJAPZHOO-YVSFHVDLSA-N 2 0 338.496 1.221 20 0 EDADRP CSC1(C[NH2+]C[C@@H]2CCO[C@@H]2c2ccnn2C)CC[NH+](C)CC1 ZINC000356374812 445758179 /nfs/dbraw/zinc/75/81/79/445758179.db2.gz XMOZNSIANPWIKV-HOCLYGCPSA-N 2 0 338.521 1.915 20 0 EDADRP C[C@@H]1C[C@H](C(=O)NCc2ccncc2OCC[NH+](C)C)CC[N@@H+]1C ZINC000356489194 445818398 /nfs/dbraw/zinc/81/83/98/445818398.db2.gz YJLXZIXRSDUDQO-HUUCEWRRSA-N 2 0 334.464 1.369 20 0 EDADRP O=C(NCCCC[NH+]1CCCC1)N1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363476977 445820615 /nfs/dbraw/zinc/82/06/15/445820615.db2.gz OFFNSUJXAAFNQY-SJORKVTESA-N 2 0 338.496 1.103 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)NC[C@@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000363479688 445821317 /nfs/dbraw/zinc/82/13/17/445821317.db2.gz JGYCUGACOKVLMI-YYIAUSFCSA-N 2 0 338.496 1.269 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N(C)CCC[NH+](C)CCN(C)C)C[N@@H+]1C1CC1 ZINC000358880028 445828611 /nfs/dbraw/zinc/82/86/11/445828611.db2.gz BKLQRHWASVKPFW-JKSUJKDBSA-N 2 0 339.528 1.137 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC[C@@H]2CCCO2)C1 ZINC000350204863 445793017 /nfs/dbraw/zinc/79/30/17/445793017.db2.gz GDXHKTWQTGLSGT-YESZJQIVSA-N 2 0 341.496 1.103 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)c2ccnc(C[NH3+])c2)cc1 ZINC000361618463 445849778 /nfs/dbraw/zinc/84/97/78/445849778.db2.gz BNSJMWNUCVOYJU-UHFFFAOYSA-N 2 0 342.443 1.453 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@H](C2CC2)[NH+]2CCCC2)C[C@H]1[NH+]1CCCC1 ZINC000361627093 445854693 /nfs/dbraw/zinc/85/46/93/445854693.db2.gz ZKBAFSAZLRAJPC-BRWVUGGUSA-N 2 0 337.533 1.899 20 0 EDADRP CC(C)[C@H](C(=O)NCC1(O)CC[NH+](C(C)C)CC1)[NH+]1CCCCC1 ZINC000350657525 445873549 /nfs/dbraw/zinc/87/35/49/445873549.db2.gz QDOKKHVVRHVOKP-QGZVFWFLSA-N 2 0 339.524 1.848 20 0 EDADRP C[C@@H](CN1CCOCC1)[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372942261 445933762 /nfs/dbraw/zinc/93/37/62/445933762.db2.gz AQCZWUKTWBUKJR-KRWDZBQOSA-N 2 0 332.492 1.951 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(C(C)=O)C2)[C@H](C)C1 ZINC000359034461 445900125 /nfs/dbraw/zinc/90/01/25/445900125.db2.gz ZFPYMSHXCBWYCN-QRQLOZEOSA-N 2 0 339.524 1.972 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)N2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)C1 ZINC000364380719 445915870 /nfs/dbraw/zinc/91/58/70/445915870.db2.gz UDJOJVHCFZPMSV-FPSMNIFISA-N 2 0 334.508 1.841 20 0 EDADRP C[NH+](C)CCOCC[NH2+]Cc1cnc2ccc(Br)cn12 ZINC000354186991 445982678 /nfs/dbraw/zinc/98/26/78/445982678.db2.gz JHFVEYOJVFCDSU-UHFFFAOYSA-N 2 0 341.253 1.765 20 0 EDADRP COc1cc(NC(=O)C[N@H+](C)CCC2CC[NH2+]CC2)cc(OC)c1 ZINC000359195400 446023047 /nfs/dbraw/zinc/02/30/47/446023047.db2.gz SNAJNHMBTCTMFL-UHFFFAOYSA-N 2 0 335.448 1.964 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH+]3CCN(C)CC3)C2)CC1 ZINC000366116796 446023698 /nfs/dbraw/zinc/02/36/98/446023698.db2.gz ANPBCYHWJUXALL-GOSISDBHSA-N 2 0 336.524 1.204 20 0 EDADRP Cc1ccc(NC(=O)N2CCN(C)C[C@@H]2C[NH3+])cc1-c1ncco1 ZINC000583552813 326093638 /nfs/dbraw/zinc/09/36/38/326093638.db2.gz VRGBNWDCQGRYPT-AWEZNQCLSA-N 2 0 329.404 1.757 20 0 EDADRP O=C(COC1C[NH2+]C1)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000584114273 326202836 /nfs/dbraw/zinc/20/28/36/326202836.db2.gz SWDFYHIKUZKKET-HNNXBMFYSA-N 2 0 335.473 1.207 20 0 EDADRP C[C@H](C[C@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@@H]([NH+](C)C)C2)cn1 ZINC000584285842 326234910 /nfs/dbraw/zinc/23/49/10/326234910.db2.gz YBWBWUQZVPITRT-HLLBOEOZSA-N 2 0 333.480 1.401 20 0 EDADRP C[C@H](C[C@@H]1COCC[NH2+]1)Nc1ccc(N2CC[C@H]([NH+](C)C)C2)cn1 ZINC000584285843 326235177 /nfs/dbraw/zinc/23/51/77/326235177.db2.gz YBWBWUQZVPITRT-INMHGKMJSA-N 2 0 333.480 1.401 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)CC1 ZINC000369329758 446077053 /nfs/dbraw/zinc/07/70/53/446077053.db2.gz NPAANBNJBMDYBE-QZTJIDSGSA-N 2 0 336.524 1.534 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000359273694 446111006 /nfs/dbraw/zinc/11/10/06/446111006.db2.gz NREQNFGWDSFEKV-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NC[C@@H]1CCC[NH+]1CC(C)C ZINC000359278902 446113980 /nfs/dbraw/zinc/11/39/80/446113980.db2.gz UNARMBNRSGUHCW-HOTGVXAUSA-N 2 0 340.512 1.070 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCC3(C)CC[NH+](C)CC3)ccn2)CC1 ZINC000356925882 446130019 /nfs/dbraw/zinc/13/00/19/446130019.db2.gz UHWHXHRLPUVZPB-UHFFFAOYSA-N 2 0 345.491 1.295 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000366347497 446166601 /nfs/dbraw/zinc/16/66/01/446166601.db2.gz OQINQACZFGKOOW-BZSNNMDCSA-N 2 0 331.460 1.174 20 0 EDADRP C[C@H](C(=O)N1CCN([C@H]2CCC[NH+](C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000365324678 446146988 /nfs/dbraw/zinc/14/69/88/446146988.db2.gz FVMNOOXUBBHIQR-XDNAFOTISA-N 2 0 336.524 1.486 20 0 EDADRP CN1CCC([NH+]2CCC(CCNC(=O)C3CC[NH2+]CC3)CC2)CC1 ZINC000366319512 446148097 /nfs/dbraw/zinc/14/80/97/446148097.db2.gz CAGAUEVSXBPDQF-UHFFFAOYSA-N 2 0 336.524 1.299 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)[C@H](C)C1 ZINC000354439219 446204294 /nfs/dbraw/zinc/20/42/94/446204294.db2.gz VCXDKGSKMAPKCK-TVFCKZIOSA-N 2 0 339.524 1.970 20 0 EDADRP COCCCC[N@H+](CCC(=O)N1CC[NH2+]CC1)Cc1ccccc1 ZINC000351625333 446218547 /nfs/dbraw/zinc/21/85/47/446218547.db2.gz WMAKPPPDAHAFDN-UHFFFAOYSA-N 2 0 333.476 1.737 20 0 EDADRP O=C(NC[C@@H]1CN(C2CC2)CCO1)N1CCCC[C@H]1c1ncc[nH]1 ZINC000366536227 446253089 /nfs/dbraw/zinc/25/30/89/446253089.db2.gz UUKPFCBACUFIQE-CABCVRRESA-N 2 0 333.436 1.510 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@H](O)CCOCC)CC2)CC1 ZINC000365635658 446282890 /nfs/dbraw/zinc/28/28/90/446282890.db2.gz PSRNJMNINXXCQZ-SFHVURJKSA-N 2 0 327.513 1.266 20 0 EDADRP CCCCOC(=O)CC[N@@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000362252553 446287256 /nfs/dbraw/zinc/28/72/56/446287256.db2.gz BACFGBPCHVRXAP-QGZVFWFLSA-N 2 0 325.497 1.679 20 0 EDADRP C[C@@H]1CN(Cc2c[nH]c3nccnc23)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000365661349 446291910 /nfs/dbraw/zinc/29/19/10/446291910.db2.gz QNYHVOCWJCQGPD-ZBFHGGJFSA-N 2 0 328.464 1.367 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)NCC3C[NH2+]C3)CC2)cc1 ZINC000417336698 446346206 /nfs/dbraw/zinc/34/62/06/446346206.db2.gz WCCJTXGNEAHZIF-UHFFFAOYSA-N 2 0 346.475 1.426 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000417523593 446361551 /nfs/dbraw/zinc/36/15/51/446361551.db2.gz IFIFTWHAZTXNCG-SJORKVTESA-N 2 0 348.491 1.596 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CCCCC1 ZINC000417913290 446384155 /nfs/dbraw/zinc/38/41/55/446384155.db2.gz PVPCXYJIEWTJDQ-CVEARBPZSA-N 2 0 338.496 1.325 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CC[C@H]3CCCC[C@H]32)C1 ZINC000366873423 446391608 /nfs/dbraw/zinc/39/16/08/446391608.db2.gz ZDDFZDZNYGZFCR-KZNAEPCWSA-N 2 0 337.508 1.724 20 0 EDADRP COC(=O)C(C)(C)CC[N@@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374780110 446392626 /nfs/dbraw/zinc/39/26/26/446392626.db2.gz RSQBEMYOVYWSQX-OAHLLOKOSA-N 2 0 325.497 1.676 20 0 EDADRP CCOc1cc2[nH+]ccc(NC[C@@H]3C[NH2+]C[C@H]3O)c2cc1OCC ZINC000420251459 446433921 /nfs/dbraw/zinc/43/39/21/446433921.db2.gz LPFKFOKQSDKCGP-BLLLJJGKSA-N 2 0 331.416 1.446 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2nc3cccnc3s2)C1)N1CC[NH2+]CC1 ZINC000420287442 446452671 /nfs/dbraw/zinc/45/26/71/446452671.db2.gz GJOSHHULBCSHFJ-CYBMUJFWSA-N 2 0 345.472 1.335 20 0 EDADRP CCS(=O)(=O)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423184778 446448128 /nfs/dbraw/zinc/44/81/28/446448128.db2.gz NJEARGZDQJJLAZ-RDJZCZTQSA-N 2 0 338.473 1.657 20 0 EDADRP COC[C@]1(CNC(=O)N[C@H](C)C[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000417972492 446404164 /nfs/dbraw/zinc/40/41/64/446404164.db2.gz BOBHVMHNCLUFNI-VQIMIIECSA-N 2 0 348.491 1.575 20 0 EDADRP CC[NH2+]CCNC(=O)N[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000417989409 446409411 /nfs/dbraw/zinc/40/94/11/446409411.db2.gz KYSMLSJQVMXAJU-ZWKOTPCHSA-N 2 0 346.475 1.882 20 0 EDADRP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000417988123 446409464 /nfs/dbraw/zinc/40/94/64/446409464.db2.gz RNXHUBPHFTYVHD-LPHOPBHVSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000417996967 446411085 /nfs/dbraw/zinc/41/10/85/446411085.db2.gz REHFIOKVVKNNGB-FHLIZLRMSA-N 2 0 346.475 1.050 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000418017738 446417592 /nfs/dbraw/zinc/41/75/92/446417592.db2.gz TVYSPNDWFFMMDI-RDJZCZTQSA-N 2 0 334.464 1.042 20 0 EDADRP O=C([C@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763992 446422881 /nfs/dbraw/zinc/42/28/81/446422881.db2.gz SOKPXSSLFDHJPP-UYAOXDASSA-N 2 0 343.471 1.490 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)NCCN1CCc2c(Cl)cccc2C1 ZINC000418046132 446424477 /nfs/dbraw/zinc/42/44/77/446424477.db2.gz HAFYKYXTDQQBFD-AWEZNQCLSA-N 2 0 336.867 1.831 20 0 EDADRP CC[C@H](C)[C@@H]([NH3+])C(=O)NCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000370765926 446424703 /nfs/dbraw/zinc/42/47/03/446424703.db2.gz INFZJCAPORQWNP-RYQLBKOJSA-N 2 0 332.492 1.465 20 0 EDADRP COC1(C(=O)N2CC[C@@H]([N@H+](C)Cc3ccccc3)C2)CC[NH2+]CC1 ZINC000370767677 446425862 /nfs/dbraw/zinc/42/58/62/446425862.db2.gz VJSSLVSICAMSKD-QGZVFWFLSA-N 2 0 331.460 1.488 20 0 EDADRP Cc1ccc(S(=O)(=O)NCC[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420296073 446459686 /nfs/dbraw/zinc/45/96/86/446459686.db2.gz CZINSCMQMIKAMH-MRXNPFEDSA-N 2 0 339.505 1.595 20 0 EDADRP Cc1nc(C[C@@H]2CCC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)no1 ZINC000420296074 446459694 /nfs/dbraw/zinc/45/96/94/446459694.db2.gz CZJHDUDZBSFOQU-BZSNNMDCSA-N 2 0 344.459 1.563 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)[C@]2([NH+](C)C)CCCSC2)C1 ZINC000367019182 446466854 /nfs/dbraw/zinc/46/68/54/446466854.db2.gz GTIZOYZEVZUHBN-WBVHZDCISA-N 2 0 327.538 1.908 20 0 EDADRP CC(C)C[C@H](C[NH3+])N[C@H](C)Cn1cc(Br)ccc1=O ZINC000423271537 446470278 /nfs/dbraw/zinc/47/02/78/446470278.db2.gz XXSSFCZLLPJOST-DGCLKSJQSA-N 2 0 330.270 1.962 20 0 EDADRP CC[C@H]1CN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC[N@@H+]1CCOC ZINC000420309744 446474106 /nfs/dbraw/zinc/47/41/06/446474106.db2.gz FEYFFRHEMWDEJT-MSOLQXFVSA-N 2 0 335.492 1.780 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000420311913 446474898 /nfs/dbraw/zinc/47/48/98/446474898.db2.gz HHLDVHRFLBGNLL-PKOBYXMFSA-N 2 0 347.503 1.782 20 0 EDADRP CCOC(=O)c1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000420313070 446478885 /nfs/dbraw/zinc/47/88/85/446478885.db2.gz TYHXCIXBLNQKDJ-UHFFFAOYSA-N 2 0 345.443 1.877 20 0 EDADRP COc1ccc(OCCN(C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420317797 446484200 /nfs/dbraw/zinc/48/42/00/446484200.db2.gz NZMRRUIOTBRVGS-PMACEKPBSA-N 2 0 344.455 1.937 20 0 EDADRP COc1ccc(NC(=O)CC[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420320329 446485562 /nfs/dbraw/zinc/48/55/62/446485562.db2.gz BIQQLLBNHILTQA-HNNXBMFYSA-N 2 0 347.459 1.711 20 0 EDADRP COC[C@@]1(C(=O)NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]C1 ZINC000423318277 446485977 /nfs/dbraw/zinc/48/59/77/446485977.db2.gz DKFMGSOAEDHLKX-HXUWFJFHSA-N 2 0 345.487 1.566 20 0 EDADRP C[C@H]1Cc2ccccc2N1C(=O)C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420321944 446487007 /nfs/dbraw/zinc/48/70/07/446487007.db2.gz DHTTYPVNRKPWCB-NQYLQCIDSA-N 2 0 343.471 1.792 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420319533 446485205 /nfs/dbraw/zinc/48/52/05/446485205.db2.gz ALQJOVQGYOZIIW-OLMNPRSZSA-N 2 0 331.460 1.520 20 0 EDADRP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420323612 446489154 /nfs/dbraw/zinc/48/91/54/446489154.db2.gz GIILQHLHDNCPME-XQZMSQOBSA-N 2 0 337.508 1.898 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000420323111 446490061 /nfs/dbraw/zinc/49/00/61/446490061.db2.gz FRZYXNKYZYDXHY-XYJFISCASA-N 2 0 345.487 1.940 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC2(C)CC[NH2+]CC2)c1 ZINC000423331461 446491262 /nfs/dbraw/zinc/49/12/62/446491262.db2.gz OLTFSUIQZYNPFC-CYBMUJFWSA-N 2 0 325.478 1.635 20 0 EDADRP C[C@@H]1CN(C(=O)NC2CC[NH2+]CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000418304918 446492948 /nfs/dbraw/zinc/49/29/48/446492948.db2.gz HEXPYAMERJBCNE-INIZCTEOSA-N 2 0 330.476 1.902 20 0 EDADRP COCC[NH+]1CCC(N[C@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423336596 446493678 /nfs/dbraw/zinc/49/36/78/446493678.db2.gz QNHFNHBRDSXMDX-PMACEKPBSA-N 2 0 347.503 1.841 20 0 EDADRP O=C(NCCC[NH2+]Cc1cccnc1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000418331490 446502844 /nfs/dbraw/zinc/50/28/44/446502844.db2.gz DOYDVBUPKKCIBN-KRWDZBQOSA-N 2 0 329.448 1.217 20 0 EDADRP CC(C)[C@H](C(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1)[C@H](C)[NH3+] ZINC000423374216 446506854 /nfs/dbraw/zinc/50/68/54/446506854.db2.gz IBTMPSUGBIOKCL-BDXSIMOUSA-N 2 0 338.540 1.623 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000418340455 446507768 /nfs/dbraw/zinc/50/77/68/446507768.db2.gz NQTAOJAIQLBFDT-NVXWUHKLSA-N 2 0 331.464 1.439 20 0 EDADRP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)NC[C@H]2C[NH2+]CCCO2)cc1 ZINC000418353411 446510720 /nfs/dbraw/zinc/51/07/20/446510720.db2.gz NJMNSTMWOMVJES-SJORKVTESA-N 2 0 334.464 1.488 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC[NH2+]CC1 ZINC000423388067 446513232 /nfs/dbraw/zinc/51/32/32/446513232.db2.gz MOVBIZVYHHVFBS-LSDHHAIUSA-N 3 0 325.497 1.676 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000423358919 446498232 /nfs/dbraw/zinc/49/82/32/446498232.db2.gz OGRBWXZUJLYAOP-CVYDXHPNSA-N 2 0 337.508 1.722 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000433369725 446565854 /nfs/dbraw/zinc/56/58/54/446565854.db2.gz ZFEXJNBVJYKJML-UHFFFAOYSA-N 2 0 333.476 1.667 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2CCC[NH2+]2)CC[N@H+](Cc2ccccc2)C1 ZINC000418368561 446516864 /nfs/dbraw/zinc/51/68/64/446516864.db2.gz MVNYEDJAWVOWGS-FUHWJXTLSA-N 2 0 330.476 1.902 20 0 EDADRP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420346747 446521710 /nfs/dbraw/zinc/52/17/10/446521710.db2.gz DMAGCXGJDONVEN-PKOBYXMFSA-N 2 0 344.503 1.321 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418387981 446524169 /nfs/dbraw/zinc/52/41/69/446524169.db2.gz UPWLTOOCVRXAJZ-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000418388120 446524629 /nfs/dbraw/zinc/52/46/29/446524629.db2.gz POLKZWWFTQVAKB-DLBZAZTESA-N 2 0 333.480 1.528 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000418387314 446524815 /nfs/dbraw/zinc/52/48/15/446524815.db2.gz RALCUPMBRTWXHD-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423419744 446526708 /nfs/dbraw/zinc/52/67/08/446526708.db2.gz JATDAHQIANVIAK-IAGOWNOFSA-N 2 0 333.480 1.802 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000418395260 446527985 /nfs/dbraw/zinc/52/79/85/446527985.db2.gz AJADCCPRPHSGHE-XWTMOSNGSA-N 2 0 330.476 1.888 20 0 EDADRP O[C@@H]1C[NH2+]C[C@@H]1CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423426658 446530995 /nfs/dbraw/zinc/53/09/95/446530995.db2.gz NFDRSTJCKUPFLB-YMQHIKHWSA-N 2 0 343.515 1.847 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@H]1CC ZINC000418416101 446535651 /nfs/dbraw/zinc/53/56/51/446535651.db2.gz PFTBXWJLAXNCTD-HZPDHXFCSA-N 2 0 328.501 1.502 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)NC[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418415575 446535759 /nfs/dbraw/zinc/53/57/59/446535759.db2.gz NWEYKSCWYIEABU-MJGOQNOKSA-N 2 0 348.491 1.296 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@H]1NC(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000418416836 446536606 /nfs/dbraw/zinc/53/66/06/446536606.db2.gz UQJNSAUODIWVGX-USLRCESLSA-N 2 0 334.508 1.957 20 0 EDADRP CC1(C)C[NH2+]CC[C@H]1[NH2+]CCCOc1ccc(S(C)(=O)=O)cc1 ZINC000420360231 446539955 /nfs/dbraw/zinc/53/99/55/446539955.db2.gz KVGCWFYFJXNPBJ-MRXNPFEDSA-N 2 0 340.489 1.837 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418428805 446540391 /nfs/dbraw/zinc/54/03/91/446540391.db2.gz MYRRSANPCCORDY-ZBFHGGJFSA-N 2 0 334.464 1.173 20 0 EDADRP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423445404 446541024 /nfs/dbraw/zinc/54/10/24/446541024.db2.gz SBJTYZUJGPWCTP-DLBZAZTESA-N 2 0 333.480 1.754 20 0 EDADRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC(=O)N[C@H]2C2CC[NH2+]CC2)cc1 ZINC000423457373 446545562 /nfs/dbraw/zinc/54/55/62/446545562.db2.gz OWYRHDNTLLOPQM-XVSDVWIESA-N 2 0 331.460 1.993 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000418450085 446547158 /nfs/dbraw/zinc/54/71/58/446547158.db2.gz UMNPPOCSQBTQIH-CABCVRRESA-N 2 0 326.485 1.255 20 0 EDADRP CCC[NH2+]CCNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418464033 446553487 /nfs/dbraw/zinc/55/34/87/446553487.db2.gz ABAVIFZXZIKHKZ-LJQANCHMSA-N 2 0 348.491 1.264 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000418468892 446555029 /nfs/dbraw/zinc/55/50/29/446555029.db2.gz PVKXWMYIBJSXOS-OAHLLOKOSA-N 2 0 327.517 1.219 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000423502025 446556430 /nfs/dbraw/zinc/55/64/30/446556430.db2.gz DRHCWWDVTGBCEW-UHFFFAOYSA-N 2 0 340.512 1.025 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000418612420 446616185 /nfs/dbraw/zinc/61/61/85/446616185.db2.gz IWNCRRBWKWPWMT-MRXNPFEDSA-N 2 0 340.512 1.517 20 0 EDADRP CC[N@H+](CC(=O)N(C)C1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000371017068 446575529 /nfs/dbraw/zinc/57/55/29/446575529.db2.gz QFNNRKAKWAHCLD-UHFFFAOYSA-N 2 0 330.476 1.989 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C2C[C@@H]3C[NH2+]C[C@H](C2)C3=O)CC1 ZINC000375098492 446580818 /nfs/dbraw/zinc/58/08/18/446580818.db2.gz YJONYOICBOCRKE-ALOPSCKCSA-N 2 0 335.492 1.429 20 0 EDADRP C[C@H]([NH2+]CCC(=O)N1CC[NH2+]CC1)c1cccc(-n2cccn2)c1 ZINC000420409788 446583745 /nfs/dbraw/zinc/58/37/45/446583745.db2.gz QWWYKMIPJRYMAX-HNNXBMFYSA-N 2 0 327.432 1.345 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000418552844 446590698 /nfs/dbraw/zinc/59/06/98/446590698.db2.gz HORLFJCLPMKDRE-HOCLYGCPSA-N 2 0 326.485 1.269 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)NCc2ccc3c(c2)C[NH2+]C3)C1 ZINC000418558115 446593367 /nfs/dbraw/zinc/59/33/67/446593367.db2.gz SHDUFGGVMIMGTL-SJLPKXTDSA-N 2 0 328.460 1.916 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000418560002 446594505 /nfs/dbraw/zinc/59/45/05/446594505.db2.gz CVPOLYIHBNBZPD-HRCADAONSA-N 2 0 326.485 1.399 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418568510 446598201 /nfs/dbraw/zinc/59/82/01/446598201.db2.gz OUWBQELFUPGWEV-HUBLWGQQSA-N 2 0 326.391 1.447 20 0 EDADRP C[N@H+](CCNC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(F)cc1)C1CC1 ZINC000371064882 446605046 /nfs/dbraw/zinc/60/50/46/446605046.db2.gz NBUBQYGILSRRAR-IAGOWNOFSA-N 2 0 334.439 1.964 20 0 EDADRP C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000418662817 446638951 /nfs/dbraw/zinc/63/89/51/446638951.db2.gz FCVJUFSRHYHYSZ-BZUAXINKSA-N 2 0 340.512 1.238 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000418667637 446641286 /nfs/dbraw/zinc/64/12/86/446641286.db2.gz HKJPYZSTDNQTGC-MSOLQXFVSA-N 2 0 348.491 1.613 20 0 EDADRP [NH3+]CCC[C@H](NC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000418667640 446642052 /nfs/dbraw/zinc/64/20/52/446642052.db2.gz HKJPYZSTDNQTGC-ROUUACIJSA-N 2 0 348.491 1.613 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2CCC[C@H]2OC(F)F)CC1 ZINC000411720329 446657129 /nfs/dbraw/zinc/65/71/29/446657129.db2.gz MRRPHDWBWRGHRY-ZIAGYGMSSA-N 2 0 333.423 1.725 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N1CC[C@@H](C[N@H+](C)Cc2scnc2C)C1 ZINC000418737144 446660950 /nfs/dbraw/zinc/66/09/50/446660950.db2.gz VHMXGBIMKWONTG-KBPBESRZSA-N 2 0 339.509 1.652 20 0 EDADRP C[NH+](C)[C@@H]1CCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000423745234 446675285 /nfs/dbraw/zinc/67/52/85/446675285.db2.gz PFSYCHBTYIOYPS-HIFRSBDPSA-N 2 0 340.265 1.786 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000418645000 446630575 /nfs/dbraw/zinc/63/05/75/446630575.db2.gz VQKMGNVHNREPME-FUHWJXTLSA-N 2 0 330.476 1.999 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)COC1CC[NH2+]CC1 ZINC000423759066 446688380 /nfs/dbraw/zinc/68/83/80/446688380.db2.gz LIALULIBAALJOU-UHFFFAOYSA-N 2 0 325.497 1.726 20 0 EDADRP CCN1CCC([N@H+](C[C@@H](O)COC2CCOCC2)C2CC2)CC1 ZINC000371204993 446688473 /nfs/dbraw/zinc/68/84/73/446688473.db2.gz MKXMQKDNJZAQIL-QGZVFWFLSA-N 2 0 326.481 1.492 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)NC[C@@H]2C[NH2+]CCO2)CC1 ZINC000418777915 446696116 /nfs/dbraw/zinc/69/61/16/446696116.db2.gz ZBSACARNLOACEG-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP COC(=O)CC[C@H]([NH3+])C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1 ZINC000423775049 446697463 /nfs/dbraw/zinc/69/74/63/446697463.db2.gz ONBVNEIZGNPYEW-KBPBESRZSA-N 2 0 341.839 1.339 20 0 EDADRP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418794085 446705967 /nfs/dbraw/zinc/70/59/67/446705967.db2.gz QTTXRBORBPOGPP-KRWDZBQOSA-N 2 0 348.491 1.575 20 0 EDADRP CC[C@H]1CN(C(=O)C[C@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000423820227 446711288 /nfs/dbraw/zinc/71/12/88/446711288.db2.gz GSFZVQUWFFPGOZ-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](Cc3c[nH]c4nccnc34)CC2)CC1 ZINC000368216433 446714276 /nfs/dbraw/zinc/71/42/76/446714276.db2.gz SIMQEUPJOXZBLS-UHFFFAOYSA-N 2 0 342.491 1.759 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C[N@@H+]1Cc1ccccc1 ZINC000423894197 446748093 /nfs/dbraw/zinc/74/80/93/446748093.db2.gz DRMLTUIBQHWARM-OWYHZJEWSA-N 2 0 345.487 1.910 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)COC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000423902828 446753918 /nfs/dbraw/zinc/75/39/18/446753918.db2.gz MMGXVNBSINBXCK-NVXWUHKLSA-N 2 0 331.460 1.392 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000418873704 446765537 /nfs/dbraw/zinc/76/55/37/446765537.db2.gz YJKBNYGEVFNJFT-OAHLLOKOSA-N 2 0 340.512 1.119 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC[C@@H]1C[C@H](F)CN1Cc1cccs1 ZINC000423917415 446767012 /nfs/dbraw/zinc/76/70/12/446767012.db2.gz OBYCIMLKJHFABP-IHRRRGAJSA-N 2 0 341.452 1.155 20 0 EDADRP CN(C[C@@H]1CCC[N@@H+]1C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000420745662 446788019 /nfs/dbraw/zinc/78/80/19/446788019.db2.gz ZDJDXMSQVSTYTE-HNNXBMFYSA-N 2 0 325.478 1.463 20 0 EDADRP C[C@H](C(=O)N1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1)[NH+]1CCCCCC1 ZINC000423997859 446815478 /nfs/dbraw/zinc/81/54/78/446815478.db2.gz IIZNEAWLIBOJGB-NXHRZFHOSA-N 2 0 337.508 1.996 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)CCCO1 ZINC000424019487 446826283 /nfs/dbraw/zinc/82/62/83/446826283.db2.gz KEXHQNUZWQLTCB-QZTJIDSGSA-N 2 0 331.460 1.617 20 0 EDADRP O=C1O[C@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC12CCC2 ZINC000377011708 446860121 /nfs/dbraw/zinc/86/01/21/446860121.db2.gz CFHKEVNEANOKPX-KRWDZBQOSA-N 2 0 336.476 1.907 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000368439265 446863670 /nfs/dbraw/zinc/86/36/70/446863670.db2.gz SLWCBTZRGPMAHT-ROUUACIJSA-N 2 0 325.497 1.630 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000419020935 446871490 /nfs/dbraw/zinc/87/14/90/446871490.db2.gz GLNPZYLTBJHHHZ-BFYDXBDKSA-N 2 0 346.475 1.039 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419029289 446874667 /nfs/dbraw/zinc/87/46/67/446874667.db2.gz RLUFQZLSAOMTHE-GJZGRUSLSA-N 2 0 338.496 1.001 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000424458723 446876772 /nfs/dbraw/zinc/87/67/72/446876772.db2.gz CPWBVRGSSAHXFI-HUUCEWRRSA-N 2 0 326.485 1.445 20 0 EDADRP C[C@H](NC(=O)NCCCC[N@H+](C)C1CC1)[C@H](C)N1CCOCC1 ZINC000454542784 446906827 /nfs/dbraw/zinc/90/68/27/446906827.db2.gz LLTGCCTWXPGUGT-GJZGRUSLSA-N 2 0 326.485 1.269 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@@H]1CC[NH+](C2CCCCCC2)C1 ZINC000371522472 446912092 /nfs/dbraw/zinc/91/20/92/446912092.db2.gz UILMFECCLFILSP-MRXNPFEDSA-N 2 0 340.512 1.661 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000419100470 446924693 /nfs/dbraw/zinc/92/46/93/446924693.db2.gz BUXUKROWORKHMY-OIISXLGYSA-N 2 0 346.475 1.009 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C)(C[NH+]2CCOCC2)CC1)[NH+](C)C ZINC000371547415 446928025 /nfs/dbraw/zinc/92/80/25/446928025.db2.gz TXFVYOZPCKLSJP-INIZCTEOSA-N 2 0 325.497 1.534 20 0 EDADRP CC[N@@H+]1CCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)[C@H](C)C1 ZINC000412339924 446941299 /nfs/dbraw/zinc/94/12/99/446941299.db2.gz QDPFFNRVRCUSPE-GDBMZVCRSA-N 2 0 325.522 1.757 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000368550186 446938794 /nfs/dbraw/zinc/93/87/94/446938794.db2.gz XREDNHCXSDVEMH-HZPDHXFCSA-N 2 0 334.464 1.980 20 0 EDADRP COc1ccc(CN(C)C(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1F ZINC000442784961 446967656 /nfs/dbraw/zinc/96/76/56/446967656.db2.gz SRDVMOVKPWUOFB-IPYPFGDCSA-N 2 0 337.439 1.850 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)Nc1ccccc1C(=O)N1CCC[N@H+](C)CC1 ZINC000372108982 447005772 /nfs/dbraw/zinc/00/57/72/447005772.db2.gz VPRSWGOPLIQNFB-CQSZACIVSA-N 2 0 332.448 1.258 20 0 EDADRP C[N@H+](C[C@H]1CCS(=O)(=O)C1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000375730540 447008367 /nfs/dbraw/zinc/00/83/67/447008367.db2.gz JRHVCLWYMZFQTN-MRXNPFEDSA-N 2 0 337.489 1.665 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)NC[C@H]1CCC[C@@H]1[NH+]1CCOCC1 ZINC000372146601 447018852 /nfs/dbraw/zinc/01/88/52/447018852.db2.gz NJJJUJUMMSUXMP-WBVHZDCISA-N 2 0 338.496 1.223 20 0 EDADRP C[C@H]1CC[C@@H](O)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000421022708 446992662 /nfs/dbraw/zinc/99/26/62/446992662.db2.gz QOFGNCCDTGLBQH-QFBILLFUSA-N 2 0 345.487 1.744 20 0 EDADRP [NH3+]CC[C@@H]1CCC[N@H+](CC(=O)NCCOc2ccc(Cl)cc2)C1 ZINC000443059597 447002806 /nfs/dbraw/zinc/00/28/06/447002806.db2.gz NEVUYIPMICXZEQ-AWEZNQCLSA-N 2 0 339.867 1.896 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2cnc3n2CCCC3)CC[N@@H+]1CC(C)(C)O ZINC000377301510 447050155 /nfs/dbraw/zinc/05/01/55/447050155.db2.gz SAGKOZLTWKCHOQ-CQSZACIVSA-N 2 0 349.479 1.206 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000368712544 447060071 /nfs/dbraw/zinc/06/00/71/447060071.db2.gz OQMAPWWTVPWMGJ-BRWVUGGUSA-N 2 0 345.491 1.897 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000368712545 447060187 /nfs/dbraw/zinc/06/01/87/447060187.db2.gz OQMAPWWTVPWMGJ-IKGGRYGDSA-N 2 0 345.491 1.897 20 0 EDADRP C[C@@H](NC(=O)N1CCC[N@H+](CC(C)(C)O)CC1)C1=CC[NH+](C)CC1 ZINC000368720008 447065313 /nfs/dbraw/zinc/06/53/13/447065313.db2.gz UMYHYLPYGSBJSW-OAHLLOKOSA-N 2 0 338.496 1.125 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)cc1 ZINC000444167814 447085173 /nfs/dbraw/zinc/08/51/73/447085173.db2.gz NUGCWUPVQNSKLL-IEBWSBKVSA-N 2 0 331.460 1.285 20 0 EDADRP Nc1cc[nH+]cc1C(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000444180679 447090549 /nfs/dbraw/zinc/09/05/49/447090549.db2.gz HACYIIWGRRNMDV-UHFFFAOYSA-N 2 0 340.427 1.899 20 0 EDADRP CCN1CCC[C@@H](C[N@H+](C)CCn2cncn2)[C@@H]1c1cnn(C)c1 ZINC000377368714 447093167 /nfs/dbraw/zinc/09/31/67/447093167.db2.gz KSMRFFFYYSWCFE-DOTOQJQBSA-N 2 0 331.468 1.417 20 0 EDADRP CC[N@@H+]1CC[C@@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C1 ZINC000413321558 447139973 /nfs/dbraw/zinc/13/99/73/447139973.db2.gz GGYHORACEGLYKQ-QGZVFWFLSA-N 2 0 330.476 1.479 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445981500 447213657 /nfs/dbraw/zinc/21/36/57/447213657.db2.gz JDHASHNSWVHGLA-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445862411 447199886 /nfs/dbraw/zinc/19/98/86/447199886.db2.gz PWJVLOPZDXVBBL-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP c1cn([C@@H]2CCCN(CCC[N@@H+]3CCC[C@H](n4ccnn4)C3)C2)nn1 ZINC000425508874 447201364 /nfs/dbraw/zinc/20/13/64/447201364.db2.gz NWWNBYKLXWXNMP-CALCHBBNSA-N 2 0 344.467 1.234 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419480236 447211744 /nfs/dbraw/zinc/21/17/44/447211744.db2.gz MYUMAJUNRIUVTH-BZUAXINKSA-N 2 0 338.496 1.143 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000369047053 447286215 /nfs/dbraw/zinc/28/62/15/447286215.db2.gz KRUBLUYIJKECLL-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+]1CCCO)NC[C@H]1CCCC[NH+]1C1CC1 ZINC000458707003 447457570 /nfs/dbraw/zinc/45/75/70/447457570.db2.gz OFQVCOQKYOAOHG-DLBZAZTESA-N 2 0 338.496 1.149 20 0 EDADRP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000495094323 447476824 /nfs/dbraw/zinc/47/68/24/447476824.db2.gz SMFVHPSTFLGLEW-SFHVURJKSA-N 2 0 345.487 1.790 20 0 EDADRP CCC[NH2+]CCNC(=O)C(=O)Nc1cccc(Oc2ccncc2)c1 ZINC000415516111 447490578 /nfs/dbraw/zinc/49/05/78/447490578.db2.gz DXQFUTKDOYFYII-UHFFFAOYSA-N 2 0 342.399 1.928 20 0 EDADRP CC(C)([NH3+])CCC(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000390946034 447507522 /nfs/dbraw/zinc/50/75/22/447507522.db2.gz OCIPRLCKOKTGQI-UHFFFAOYSA-N 2 0 332.492 1.438 20 0 EDADRP Cc1cc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)ccn1 ZINC000458936924 447508990 /nfs/dbraw/zinc/50/89/90/447508990.db2.gz HZFSODCHEVSNIM-UHFFFAOYSA-N 2 0 335.496 1.805 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NCC[N@@H+]3CCCC3(C)C)ccn2)CC1 ZINC000457069243 447509735 /nfs/dbraw/zinc/50/97/35/447509735.db2.gz FDHXMEOBJNOBLD-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP C[NH+]1CCC(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000426569291 447472859 /nfs/dbraw/zinc/47/28/59/447472859.db2.gz YTVOYGNWJJZKRR-SJORKVTESA-N 2 0 338.496 1.005 20 0 EDADRP C[NH+](C)C1(CNC(=O)C[C@H]2CCC[NH2+]CC2)Cc2ccccc2C1 ZINC000427292119 447575733 /nfs/dbraw/zinc/57/57/33/447575733.db2.gz NEWZAFBBXGFTKM-INIZCTEOSA-N 2 0 329.488 1.982 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)NCCC[NH+]2CCCC2)CC1 ZINC000457525758 447588991 /nfs/dbraw/zinc/58/89/91/447588991.db2.gz FIWBEJJSTFDWNF-UHFFFAOYSA-N 2 0 339.528 1.188 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1CCCO)c1ccccc1 ZINC000416245973 447548787 /nfs/dbraw/zinc/54/87/87/447548787.db2.gz YYMXCAVBKWPPIO-ROUUACIJSA-N 2 0 333.476 1.642 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000427179251 447558626 /nfs/dbraw/zinc/55/86/26/447558626.db2.gz PQMBRYPFYDVKOX-MSOLQXFVSA-N 2 0 337.508 1.964 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)NC(C)(C)CC[NH3+] ZINC000422560034 447643365 /nfs/dbraw/zinc/64/33/65/447643365.db2.gz VNOVCLOUKKDQNA-UHFFFAOYSA-N 2 0 333.480 1.996 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000420159033 447644576 /nfs/dbraw/zinc/64/45/76/447644576.db2.gz CQWCLPXLKVELLU-OAHLLOKOSA-N 2 0 340.512 1.071 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1CC[NH3+] ZINC000404300860 447598706 /nfs/dbraw/zinc/59/87/06/447598706.db2.gz ZDENXBOKOIXUQY-RHSMWYFYSA-N 2 0 339.505 1.886 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)NCCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000457567880 447599878 /nfs/dbraw/zinc/59/98/78/447599878.db2.gz FIFGEAJIHYDWHO-IXDOHACOSA-N 2 0 340.512 1.610 20 0 EDADRP CC[C@@H]1CN(C(=O)NCCCC[NH+](C)C2CC2)CC[N@@H+]1C[C@@H](C)O ZINC000459164327 447602165 /nfs/dbraw/zinc/60/21/65/447602165.db2.gz RCWAXFBDLIQEGK-HZPDHXFCSA-N 2 0 340.512 1.347 20 0 EDADRP O=C1O[C@]2(CN1CN1CC[C@@H]([NH+]3CCCC3)C1)C[NH+]1CCC2CC1 ZINC000495860173 447608957 /nfs/dbraw/zinc/60/89/57/447608957.db2.gz XGAIHJANMLMJQI-AEFFLSMTSA-N 2 0 334.464 1.031 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC000495908814 447634619 /nfs/dbraw/zinc/63/46/19/447634619.db2.gz FLHAJTWWIYWEBF-JKSUJKDBSA-N 2 0 343.512 1.878 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](CCn3cc(Cl)cn3)CC2)CC1 ZINC000459404369 447655051 /nfs/dbraw/zinc/65/50/51/447655051.db2.gz QYSRNAFEGGFKPQ-UHFFFAOYSA-N 2 0 339.915 1.886 20 0 EDADRP CCOC(=O)c1ncn(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1N ZINC000459436586 447666266 /nfs/dbraw/zinc/66/62/66/447666266.db2.gz YLUSXMKKNAKUTM-CQSZACIVSA-N 2 0 349.479 1.763 20 0 EDADRP O[C@H]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)[N@H+](Cc2ccccc2)C1 ZINC000459452588 447670644 /nfs/dbraw/zinc/67/06/44/447670644.db2.gz MFZOBVSUVOYJJF-PMACEKPBSA-N 2 0 329.488 1.838 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NCC3CC[NH2+]CC3)cc2)CC1 ZINC000428145388 447677738 /nfs/dbraw/zinc/67/77/38/447677738.db2.gz KQULYGVHVIHJOK-UHFFFAOYSA-N 2 0 330.476 1.558 20 0 EDADRP CC(=O)Nc1cccc(NC(=O)CN2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422631496 447679236 /nfs/dbraw/zinc/67/92/36/447679236.db2.gz FPNWOFXJRLTNAZ-IPYPFGDCSA-N 2 0 332.448 1.889 20 0 EDADRP C[C@@H](CNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)C[NH+]1CCCCC1 ZINC000457958589 447684830 /nfs/dbraw/zinc/68/48/30/447684830.db2.gz ZKNHOGJEHFTJFJ-DLBZAZTESA-N 2 0 340.512 1.254 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000416759189 447684864 /nfs/dbraw/zinc/68/48/64/447684864.db2.gz MIWKGTPQUDGTTQ-GJZGRUSLSA-N 2 0 334.464 1.667 20 0 EDADRP C[C@@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCC(C)CC1 ZINC000458055093 447710605 /nfs/dbraw/zinc/71/06/05/447710605.db2.gz VEEDZFYEODCAAU-IRXDYDNUSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000422833931 447763756 /nfs/dbraw/zinc/76/37/56/447763756.db2.gz ZESWQGJRAOFXJM-OALUTQOASA-N 2 0 333.476 1.484 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCN(C(=O)NCCC[NH+]2C[C@@H](C)O[C@H](C)C2)C1 ZINC000416941829 447719149 /nfs/dbraw/zinc/71/91/49/447719149.db2.gz KLNGOLFVVXOSIH-FPCVCCKLSA-N 2 0 326.485 1.255 20 0 EDADRP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CNCCO3)C2)cc1 ZINC000422714737 447725169 /nfs/dbraw/zinc/72/51/69/447725169.db2.gz LKTVEVJDEAWHFE-GIVPXCGWSA-N 2 0 343.515 1.908 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000416956948 447726189 /nfs/dbraw/zinc/72/61/89/447726189.db2.gz WSSYFFDPURDVCV-IYBDPMFKSA-N 2 0 340.512 1.517 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000422738890 447733636 /nfs/dbraw/zinc/73/36/36/447733636.db2.gz KGORIFYOAPJUSN-SZMVWBNQSA-N 2 0 332.492 1.122 20 0 EDADRP C[C@@H]([NH2+]CCNC(=O)c1ccc(Br)cc1)[C@H]1CC[NH2+]C1 ZINC000422739118 447734150 /nfs/dbraw/zinc/73/41/50/447734150.db2.gz KNVOZKYQLKMQPO-YPMHNXCESA-N 2 0 340.265 1.767 20 0 EDADRP C[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)N1CC[NH+](C)CC1 ZINC000422737857 447734529 /nfs/dbraw/zinc/73/45/29/447734529.db2.gz IQNLFCOQYLMOBB-KPFFTGBYSA-N 3 0 344.503 1.468 20 0 EDADRP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CCNS(=O)(=O)c1cccc(Cl)c1 ZINC000422750688 447737972 /nfs/dbraw/zinc/73/79/72/447737972.db2.gz AIQVSKGRNNRICE-BXUZGUMPSA-N 2 0 331.869 1.335 20 0 EDADRP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]CC(=O)N1CCN(c2ccccc2)CC1 ZINC000422755551 447740291 /nfs/dbraw/zinc/74/02/91/447740291.db2.gz FUDFSQFYXDICFZ-FUHWJXTLSA-N 2 0 330.476 1.313 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)Cn1ccnn1 ZINC000459695441 447742210 /nfs/dbraw/zinc/74/22/10/447742210.db2.gz KRCCFYNUYTZDGF-NCXUSEDFSA-N 2 0 341.459 1.139 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C(C)C)C2)CC1 ZINC000458226017 447749648 /nfs/dbraw/zinc/74/96/48/447749648.db2.gz BYJUPDHWMFBRFI-QGZVFWFLSA-N 2 0 340.512 1.611 20 0 EDADRP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782453 447749636 /nfs/dbraw/zinc/74/96/36/447749636.db2.gz MZLLFMSNJWWUDO-VDZJLULYSA-N 2 0 327.476 1.937 20 0 EDADRP CCOC(=O)[C@H]1NCC[C@@H]1[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000422839159 447765973 /nfs/dbraw/zinc/76/59/73/447765973.db2.gz PQIHGAWIBOQDCN-IRXDYDNUSA-N 2 0 325.497 1.628 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000422827730 447761941 /nfs/dbraw/zinc/76/19/41/447761941.db2.gz FGSPLQSBQBNKIE-VQTJNVASSA-N 3 0 330.520 1.911 20 0 EDADRP COc1cc(OC)cc(N2CC[C@H]([NH2+]C3CCC([NH3+])CC3)C2=O)c1 ZINC000422921046 447773258 /nfs/dbraw/zinc/77/32/58/447773258.db2.gz ONRQJNNMGSHLPF-FVKWTLKZSA-N 2 0 333.432 1.669 20 0 EDADRP COc1cc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])ccc1OCC(=O)N(C)C ZINC000422943196 447777762 /nfs/dbraw/zinc/77/77/62/447777762.db2.gz QOAXUELROGKYBX-HZPDHXFCSA-N 2 0 349.475 1.769 20 0 EDADRP CN(Cc1ccc(OC(F)F)cc1)C(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000430578285 447780367 /nfs/dbraw/zinc/78/03/67/447780367.db2.gz AQFWTMUOGMIMGF-QGZVFWFLSA-N 2 0 341.402 1.963 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)[C@H](C[NH3+])c2ccccc2)CC1 ZINC000430712446 447784439 /nfs/dbraw/zinc/78/44/39/447784439.db2.gz ZSPFCCPGFVVAJL-QGZVFWFLSA-N 2 0 333.476 1.735 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)C(C)(C)C[NH3+])[C@@H](c2ccccc2)C1 ZINC000431022070 447789674 /nfs/dbraw/zinc/78/96/74/447789674.db2.gz MBDYLJFVWDXSCD-QGZVFWFLSA-N 2 0 332.492 1.466 20 0 EDADRP CC(C)(C)S(=O)(=O)N1CCC([NH2+][C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423078109 447800061 /nfs/dbraw/zinc/80/00/61/447800061.db2.gz NVCJXPGXOKCNGN-DZGCQCFKSA-N 2 0 331.526 1.686 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099631 447804101 /nfs/dbraw/zinc/80/41/01/447804101.db2.gz MAYUMOPQWXAWJM-QWHCGFSZSA-N 2 0 331.869 1.478 20 0 EDADRP CN(CC[NH2+]C1CCC(C[NH3+])CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000423099747 447804650 /nfs/dbraw/zinc/80/46/50/447804650.db2.gz UFNZUZQASQIEPW-UHFFFAOYSA-N 2 0 343.468 1.553 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000487580474 447834259 /nfs/dbraw/zinc/83/42/59/447834259.db2.gz ZFKIKDHNQGBAKQ-IAGOWNOFSA-N 2 0 340.512 1.395 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)C1CC1 ZINC000487684756 447836089 /nfs/dbraw/zinc/83/60/89/447836089.db2.gz CZAWODHPPWPHMF-IRXDYDNUSA-N 2 0 338.496 1.148 20 0 EDADRP C[C@@H](CNC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)[NH+]1CCCC1 ZINC000523353915 447881971 /nfs/dbraw/zinc/88/19/71/447881971.db2.gz HETIRKRAIPYWFJ-WMZOPIPTSA-N 2 0 330.476 1.894 20 0 EDADRP O=C(NCC[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000569843155 447904178 /nfs/dbraw/zinc/90/41/78/447904178.db2.gz MOMPFBTXWZZAPM-SJLPKXTDSA-N 2 0 330.476 1.800 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@H](O)CC(F)(F)F)(N2CCCCC2)CC1 ZINC000575981472 447942148 /nfs/dbraw/zinc/94/21/48/447942148.db2.gz NSJCJPHUSVGFMW-CQSZACIVSA-N 2 0 337.430 1.840 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)NCCCC[NH+]2CCN(C)CC2)CC[N@@H+]1C ZINC000524786081 447954084 /nfs/dbraw/zinc/95/40/84/447954084.db2.gz CXWUSZMNULUTPB-IRXDYDNUSA-N 2 0 339.528 1.138 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)[C@H](C)[NH3+])[C@@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496923297 448039990 /nfs/dbraw/zinc/03/99/90/448039990.db2.gz UMVZNMSZPHPFCM-MPTYRVRUSA-N 2 0 335.448 1.738 20 0 EDADRP C[N@H+](CCC(=O)N[C@H](CO)C[NH+]1CCCCC1)C1CCCCC1 ZINC000576447019 448055250 /nfs/dbraw/zinc/05/52/50/448055250.db2.gz JBOSIKNQZBDFLY-INIZCTEOSA-N 2 0 325.497 1.604 20 0 EDADRP C[C@@H](C1CC1)n1cc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000526176502 448110697 /nfs/dbraw/zinc/11/06/97/448110697.db2.gz DCOIBQBGGYKJRU-AWEZNQCLSA-N 2 0 336.484 1.811 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000512430739 448156452 /nfs/dbraw/zinc/15/64/52/448156452.db2.gz UIQADMYDCVPAEU-ULQDDVLXSA-N 2 0 340.512 1.347 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)NC[C@H]2C[NH2+]CCCO2)C[N@@H+]1Cc1ccccc1 ZINC000571625459 448181229 /nfs/dbraw/zinc/18/12/29/448181229.db2.gz CSOJQAIPNJHKDI-KBAYOESNSA-N 2 0 346.475 1.327 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)Nc1nc(C2CC[NH2+]CC2)cs1 ZINC000514722173 448193279 /nfs/dbraw/zinc/19/32/79/448193279.db2.gz UMLIGGFEFHGRRD-NSHDSACASA-N 2 0 326.491 1.644 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC[N@@H+]3CCc4ccccc4C3)C[C@H]21 ZINC000514783761 448201680 /nfs/dbraw/zinc/20/16/80/448201680.db2.gz XYRCJQCCZZGAHG-IPMKNSEASA-N 2 0 342.487 1.814 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C[C@H]1c1ccccc1 ZINC000577107369 448212289 /nfs/dbraw/zinc/21/22/89/448212289.db2.gz XDXVSEPWEQOUKL-OKZBNKHCSA-N 2 0 339.443 1.375 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000582524122 448260212 /nfs/dbraw/zinc/26/02/12/448260212.db2.gz MKXNZWBTLATQHX-MRXNPFEDSA-N 2 0 337.489 1.607 20 0 EDADRP C[NH+]1CCC(CCNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000582535885 448265869 /nfs/dbraw/zinc/26/58/69/448265869.db2.gz ZVDQZVCMWJHLIJ-SFHVURJKSA-N 2 0 330.476 1.905 20 0 EDADRP CSC1(CNC(=O)NCCC2=CC[NH2+]CC2)CC[NH+](C)CC1 ZINC000582595412 448284593 /nfs/dbraw/zinc/28/45/93/448284593.db2.gz AOPUWHRKAAGXOF-UHFFFAOYSA-N 2 0 326.510 1.423 20 0 EDADRP CCOC(=O)CC[C@H]1CCC[N@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C1 ZINC000591272372 448302936 /nfs/dbraw/zinc/30/29/36/448302936.db2.gz CALRFIHJUPSFHZ-HZPDHXFCSA-N 2 0 339.480 1.239 20 0 EDADRP [NH3+]C[C@@H](NC(=O)[C@H]1CCC[N@H+](Cc2cccnc2)C1)C1CCCC1 ZINC000515382879 448305199 /nfs/dbraw/zinc/30/51/99/448305199.db2.gz DKNUPIHKKYTWLU-ZWKOTPCHSA-N 2 0 330.476 1.927 20 0 EDADRP C[N@@H+]1CCC[C@@H](CCNC(=O)NCCN2CCOC(C)(C)C2)C1 ZINC000572364369 448358144 /nfs/dbraw/zinc/35/81/44/448358144.db2.gz RIPIKSGIGWELBF-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP Cc1cc(NC(=O)NCC[N@H+]2CC=CCC2)n(C2CC[NH+](C)CC2)n1 ZINC000577697584 448359562 /nfs/dbraw/zinc/35/95/62/448359562.db2.gz ZRFILBCRVFRAPP-UHFFFAOYSA-N 2 0 346.479 1.842 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N[C@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000591456236 448370823 /nfs/dbraw/zinc/37/08/23/448370823.db2.gz GYXMGFAICWUJJR-QZTJIDSGSA-N 2 0 330.476 1.043 20 0 EDADRP CCOc1cc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c(F)cc1OC ZINC000527658053 448333109 /nfs/dbraw/zinc/33/31/09/448333109.db2.gz WSVUJEGVHXLINW-CQSZACIVSA-N 2 0 339.455 1.959 20 0 EDADRP Cc1cc(NC(=O)CC[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)no1 ZINC000515637693 448336856 /nfs/dbraw/zinc/33/68/56/448336856.db2.gz CSBSMDPFSDTDOB-KRWDZBQOSA-N 2 0 342.443 2.423 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)cn2)CC1 ZINC000577602161 448337573 /nfs/dbraw/zinc/33/75/73/448337573.db2.gz YJNOVSAOXJOYPM-OAHLLOKOSA-N 2 0 346.397 1.626 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000572475975 448386722 /nfs/dbraw/zinc/38/67/22/448386722.db2.gz BEKSUXJIIXCNJG-LAUBAEHRSA-N 2 0 341.499 1.969 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2nn(C)c3ccccc23)CC[NH2+]CC1 ZINC000591572790 448393725 /nfs/dbraw/zinc/39/37/25/448393725.db2.gz QQFVKVXFPPDWTA-CQSZACIVSA-N 2 0 344.459 1.984 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000577845413 448401002 /nfs/dbraw/zinc/40/10/02/448401002.db2.gz DOTUUNYEKNWILQ-ATZDWAIDSA-N 2 0 345.487 1.910 20 0 EDADRP CN(C)C(=O)c1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000572524383 448401085 /nfs/dbraw/zinc/40/10/85/448401085.db2.gz KAIVOHRDKHCXCH-QGZVFWFLSA-N 2 0 331.460 1.576 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)N1C[C@H]([NH3+])[C@@H](C)C1)[NH+]1CCCC1 ZINC000516430961 448420300 /nfs/dbraw/zinc/42/03/00/448420300.db2.gz YZWJAOLIMFSRJH-XIRDDKMYSA-N 2 0 346.475 1.821 20 0 EDADRP CCOC1CC(O)(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000578004850 448437244 /nfs/dbraw/zinc/43/72/44/448437244.db2.gz AVAYRFPNOHZSAL-QWORBQNLSA-N 2 0 332.444 1.762 20 0 EDADRP CC(=O)N[C@H](C)C1CC[NH+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000578013986 448440940 /nfs/dbraw/zinc/44/09/40/448440940.db2.gz UXCSTICWQXBLQW-CCKFTAQKSA-N 2 0 333.476 1.154 20 0 EDADRP C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)NCC[C@@H]1CCC[NH+](C)C1 ZINC000578039195 448447049 /nfs/dbraw/zinc/44/70/49/448447049.db2.gz DPYBSTWVGGNGIN-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[C@@H](CNC(=O)NC[C@H]1C[NH2+]CCO1)[NH+]1CCC(C)CC1 ZINC000578050633 448450668 /nfs/dbraw/zinc/45/06/68/448450668.db2.gz PUPIDQYVHZBZBL-HZPDHXFCSA-N 2 0 326.485 1.031 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)C2)C1 ZINC000566459767 448479728 /nfs/dbraw/zinc/47/97/28/448479728.db2.gz BKBXLOBJPLIPPY-AEFFLSMTSA-N 2 0 337.533 1.758 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000516925784 448497939 /nfs/dbraw/zinc/49/79/39/448497939.db2.gz FBHWHONWIXDOGZ-JKSUJKDBSA-N 2 0 347.507 1.856 20 0 EDADRP C[N@H+](CCNC(=O)c1cccc(N2CC[NH+](C)CC2)n1)C1CCCC1 ZINC000535761094 448503287 /nfs/dbraw/zinc/50/32/87/448503287.db2.gz IAOMCTSJSPMCBF-UHFFFAOYSA-N 2 0 345.491 1.438 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2CN(C(=O)NCc3cccc(Cn4ccnc4)c3)C[C@H]12 ZINC000517019107 448524162 /nfs/dbraw/zinc/52/41/62/448524162.db2.gz SOFATQJTNQLBQZ-OKZBNKHCSA-N 2 0 339.443 1.810 20 0 EDADRP C[C@@H]([NH2+]C1CCC2(CC1)NC(=O)NC2=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000578354608 448527283 /nfs/dbraw/zinc/52/72/83/448527283.db2.gz PQEUQTSNJNIECL-PBQKYUHESA-N 2 0 348.491 1.750 20 0 EDADRP C[C@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000517234485 448558582 /nfs/dbraw/zinc/55/85/82/448558582.db2.gz JVYVYDOJKCFRCI-BQFCYCMXSA-N 2 0 332.492 1.976 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@H]([NH3+])CC(F)F)cc2)CC1 ZINC000578503175 448563792 /nfs/dbraw/zinc/56/37/92/448563792.db2.gz LFZAMYIBLLGMHD-CQSZACIVSA-N 2 0 326.391 1.355 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)NCC3([NH3+])CCCCCC3)n2)CC1 ZINC000567094700 448611301 /nfs/dbraw/zinc/61/13/01/448611301.db2.gz VBRMPFDCROSOMD-UHFFFAOYSA-N 2 0 348.495 2.323 20 0 EDADRP O[C@H](C[NH2+]C1CC[NH+](C2CCCC2)CC1)COC1CCOCC1 ZINC000566909424 448583044 /nfs/dbraw/zinc/58/30/44/448583044.db2.gz FWVIPVYFIDPCSW-QGZVFWFLSA-N 2 0 326.481 1.540 20 0 EDADRP CCOC[C@@H]1C[N@H+](C[C@@H](O)Cn2cnc3cc(C)c(C)cc32)CCO1 ZINC000528718638 448643393 /nfs/dbraw/zinc/64/33/93/448643393.db2.gz HLZASHXPJSZBQY-SJORKVTESA-N 2 0 347.459 1.751 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2c2ccc(=O)[nH]n2)CC1 ZINC000528785985 448675858 /nfs/dbraw/zinc/67/58/58/448675858.db2.gz FCEMVQULNFCJQW-QGZVFWFLSA-N 2 0 333.480 1.735 20 0 EDADRP Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)[C@@H]([NH3+])Cc3ccccc3)C2)cn1 ZINC000584783084 448631126 /nfs/dbraw/zinc/63/11/26/448631126.db2.gz LKRIFNRFCAMFFZ-WDSOQIARSA-N 2 0 328.460 1.215 20 0 EDADRP CCCC[N@H+](C)CC1CCN(C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+])CC1 ZINC000578988584 448687449 /nfs/dbraw/zinc/68/74/49/448687449.db2.gz OADYHFYLYWCIQD-HUUCEWRRSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)Nc2cccc3c2CC[NH2+]C3)C[N@@H+]1C1CC1 ZINC000579086612 448710151 /nfs/dbraw/zinc/71/01/51/448710151.db2.gz FOPOIZRCDIGKSP-GXTWGEPZSA-N 2 0 342.443 1.012 20 0 EDADRP CN(C[C@H]1CCC[N@@H+]1C)C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000567578316 448716731 /nfs/dbraw/zinc/71/67/31/448716731.db2.gz KMWUMLXZBJJQNL-GOSISDBHSA-N 2 0 345.491 1.782 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000592095622 448680315 /nfs/dbraw/zinc/68/03/15/448680315.db2.gz YDXRXRAVEFCIHB-MOPGFXCFSA-N 2 0 345.487 1.878 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](C[C@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000573902737 448740556 /nfs/dbraw/zinc/74/05/56/448740556.db2.gz DLOUSDSVYWUCII-VQTJNVASSA-N 2 0 349.494 1.829 20 0 EDADRP C[C@H](NC(=O)N1CCC(C)([NH+]2CCOCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000529333608 448830214 /nfs/dbraw/zinc/83/02/14/448830214.db2.gz QSAKNTMTFDACML-JKSUJKDBSA-N 2 0 338.496 1.271 20 0 EDADRP CC[N@@H+]1CCCN(C(=O)C2CC[NH+]([C@@H]3CCSC3)CC2)CC1 ZINC000568191263 448832099 /nfs/dbraw/zinc/83/20/99/448832099.db2.gz CKFGJJVYIMEQIX-MRXNPFEDSA-N 2 0 325.522 1.758 20 0 EDADRP Cc1cc2ncn(C[C@@H](O)C[N@@H+](C)[C@H]3CCC(=O)N(C)C3)c2cc1C ZINC000574336849 448849220 /nfs/dbraw/zinc/84/92/20/448849220.db2.gz JUYPYJQDRZQRKS-HOTGVXAUSA-N 2 0 344.459 1.567 20 0 EDADRP C[C@@H](NC(=O)c1c[nH+]ccc1N)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000568399565 448868248 /nfs/dbraw/zinc/86/82/48/448868248.db2.gz SSPWJIHVXZHBKN-RDTXWAMCSA-N 2 0 340.427 1.513 20 0 EDADRP Cc1ncc(C[NH2+]CCCC[NH+]2CCN(c3ncccn3)CC2)n1C ZINC000574465219 448881475 /nfs/dbraw/zinc/88/14/75/448881475.db2.gz GSCUYXXNGRJSKO-UHFFFAOYSA-N 2 0 343.479 1.211 20 0 EDADRP Cc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1OCC(F)F ZINC000568734056 448910931 /nfs/dbraw/zinc/91/09/31/448910931.db2.gz WKDGETDCLTWPTD-CYBMUJFWSA-N 2 0 342.390 1.746 20 0 EDADRP CN(C[C@@H](O)C[NH2+][C@H]1CCCN(C(=O)Cc2ccccc2)C1)C1CC1 ZINC000574686223 448932412 /nfs/dbraw/zinc/93/24/12/448932412.db2.gz NTGFGMQCMXYBLB-HKUYNNGSSA-N 2 0 345.487 1.265 20 0 EDADRP C[C@@H](NC(=O)CCCC[NH3+])c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000574872627 448975494 /nfs/dbraw/zinc/97/54/94/448975494.db2.gz VGCNFTAQXPQWSB-CQSZACIVSA-N 2 0 336.455 1.884 20 0 EDADRP Cc1cccnc1C(C)(C)C[NH2+]C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000569214216 448980079 /nfs/dbraw/zinc/98/00/79/448980079.db2.gz GDWJPYBNLVQSOQ-IXDOHACOSA-N 2 0 335.492 1.727 20 0 EDADRP COc1ccc(C[C@@H](C)CNC(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000569215112 448981061 /nfs/dbraw/zinc/98/10/61/448981061.db2.gz CXBQSCDUWPIAKM-GDBMZVCRSA-N 2 0 334.464 1.158 20 0 EDADRP CCC(CC)(CNC(=O)C(=O)NC1C[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000521007993 448945788 /nfs/dbraw/zinc/94/57/88/448945788.db2.gz HALBYHPELMPRKA-AWEZNQCLSA-N 2 0 346.475 1.100 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)NCCCc1nccs1 ZINC000575104186 449034699 /nfs/dbraw/zinc/03/46/99/449034699.db2.gz ZKNPGUUDYGLRLW-UHFFFAOYSA-N 2 0 327.498 1.211 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000569334476 449004099 /nfs/dbraw/zinc/00/40/99/449004099.db2.gz QJNBWTKIYLKUPC-UKRRQHHQSA-N 2 0 340.418 1.803 20 0 EDADRP C[NH+]1CCN(CCCNC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000574999818 449010371 /nfs/dbraw/zinc/01/03/71/449010371.db2.gz NLUWSHZRKDQPSJ-LJQANCHMSA-N 2 0 344.503 1.262 20 0 EDADRP C[C@H](O)C[N@H+](C)C1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000569352886 449010816 /nfs/dbraw/zinc/01/08/16/449010816.db2.gz HQVOBYQTUHNXLO-INIZCTEOSA-N 2 0 347.503 1.708 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000521985234 449035902 /nfs/dbraw/zinc/03/59/02/449035902.db2.gz QCHGHCBGVHFWDZ-WQANXHIZSA-N 2 0 342.487 1.936 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)c2cnn3c2[C@@H](C[NH3+])CCC3)C1 ZINC000592958025 449079448 /nfs/dbraw/zinc/07/94/48/449079448.db2.gz TXKKPGFEOOYLKN-HUUCEWRRSA-N 2 0 333.480 1.569 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592958177 449080185 /nfs/dbraw/zinc/08/01/85/449080185.db2.gz VFNQGGQTQQICNR-KFWWJZLASA-N 2 0 333.480 1.569 20 0 EDADRP [NH3+]CCCCn1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)nn1 ZINC000521999065 449039254 /nfs/dbraw/zinc/03/92/54/449039254.db2.gz IAGPXENRMSYQCO-RHSMWYFYSA-N 2 0 346.479 1.106 20 0 EDADRP CN1CCN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@H](C[NH3+])C1 ZINC000582230392 449041619 /nfs/dbraw/zinc/04/16/19/449041619.db2.gz MGZLCHDYRHTWLG-MSOLQXFVSA-N 3 0 345.491 1.108 20 0 EDADRP Cc1nn(C)c(C)c1NC(=O)CN1CCC([C@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000522060293 449048422 /nfs/dbraw/zinc/04/84/22/449048422.db2.gz JZKFJDIOGQIZPD-MAUKXSAKSA-N 2 0 349.479 1.194 20 0 EDADRP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1 ZINC000569618184 449058633 /nfs/dbraw/zinc/05/86/33/449058633.db2.gz CUIYRADXNQKTFQ-QWRGUYRKSA-N 2 0 338.839 1.579 20 0 EDADRP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239749 449091147 /nfs/dbraw/zinc/09/11/47/449091147.db2.gz USMBREDVGFEBSN-MSOLQXFVSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H](Cc1ccccc1)C[NH+]1CCN(C(=O)N2CC[NH2+]CC2)CC1 ZINC000530241599 449092687 /nfs/dbraw/zinc/09/26/87/449092687.db2.gz FTIJKXKBWGJDQD-KRWDZBQOSA-N 2 0 330.476 1.508 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2CCOC)o1 ZINC000590116016 449108565 /nfs/dbraw/zinc/10/85/65/449108565.db2.gz RNAFCRSTFBJXAU-OAHLLOKOSA-N 2 0 337.464 1.962 20 0 EDADRP [NH3+]C[C@H]1CCCn2ncc(C(=O)N3CCC([C@@H]4CCC[NH2+]C4)CC3)c21 ZINC000595960371 449283809 /nfs/dbraw/zinc/28/38/09/449283809.db2.gz DGWDHUQMOUYGBH-HZPDHXFCSA-N 2 0 345.491 1.571 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)C34CCC[NH+](CCC3)C4)C2)CC1 ZINC000602117254 449358182 /nfs/dbraw/zinc/35/81/82/449358182.db2.gz FSGZMGFJYFVCCU-GOSISDBHSA-N 2 0 348.535 1.489 20 0 EDADRP COC(=O)[C@]1(NCCn2ccnc2)CCC[N@H+](Cc2ccccc2)C1 ZINC000611796401 449425525 /nfs/dbraw/zinc/42/55/25/449425525.db2.gz RIDKQRQUDVQJCM-IBGZPJMESA-N 2 0 342.443 1.681 20 0 EDADRP CC(C)n1ccc(CNC(=O)N[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000606511501 449481506 /nfs/dbraw/zinc/48/15/06/449481506.db2.gz YPRVCNPNHNJDIB-INIZCTEOSA-N 2 0 348.495 1.432 20 0 EDADRP C[C@@H](NC(=O)N1CCC([N@H+](C)CCCO)CC1)C1CC[NH+](C)CC1 ZINC000607246750 449591259 /nfs/dbraw/zinc/59/12/59/449591259.db2.gz QLSJFUPDWXGGRU-OAHLLOKOSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@H+](CC(C)(C)N3CCOCC3)C2)CC1 ZINC000602486550 449627911 /nfs/dbraw/zinc/62/79/11/449627911.db2.gz UHDDTSVUXCLWSM-SFHVURJKSA-N 2 0 338.540 1.198 20 0 EDADRP COC(=O)c1csc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1 ZINC000602539498 449660444 /nfs/dbraw/zinc/66/04/44/449660444.db2.gz HHAIJGSVRJZUHF-CYBMUJFWSA-N 2 0 325.478 1.508 20 0 EDADRP COC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2cc(N3CC[NH2+]CC3)cc[nH+]2)C1 ZINC000602599514 449695947 /nfs/dbraw/zinc/69/59/47/449695947.db2.gz AHMRYQCUOLSYDW-ZIAGYGMSSA-N 2 0 346.431 1.409 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cc(C(=O)OC)no1 ZINC000602655168 449732203 /nfs/dbraw/zinc/73/22/03/449732203.db2.gz DZHQJLHZUMLIRU-AWEZNQCLSA-N 2 0 338.452 1.309 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C)c(C(=O)OC)[nH]2)CC1 ZINC000602682233 449746640 /nfs/dbraw/zinc/74/66/40/449746640.db2.gz OTIVWBFBNMHGID-UHFFFAOYSA-N 2 0 336.480 1.615 20 0 EDADRP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000594923424 449808739 /nfs/dbraw/zinc/80/87/39/449808739.db2.gz GUGMSRPYTZCYFN-KBRIMQKVSA-N 2 0 347.459 1.265 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)NC1CC[NH+](CCO)CC1 ZINC000601323152 449832119 /nfs/dbraw/zinc/83/21/19/449832119.db2.gz SVZOMFIQKCINIP-HUUCEWRRSA-N 2 0 326.485 1.005 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1CCOC ZINC000612980524 449969230 /nfs/dbraw/zinc/96/92/30/449969230.db2.gz SGYYQMWJKMLARA-HOTGVXAUSA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCN(c3ncccn3)CC2)CC1(C)C ZINC000623353920 450504087 /nfs/dbraw/zinc/50/40/87/450504087.db2.gz BWFUTQAVHWZXGF-KRWDZBQOSA-N 2 0 346.523 1.451 20 0 EDADRP CCN(CC[NH3+])C(=O)Nc1ccc(N2CC[NH+](CC)CC2)cc1C ZINC000625834543 450518074 /nfs/dbraw/zinc/51/80/74/450518074.db2.gz IQMFPGKTHFXDIA-UHFFFAOYSA-N 2 0 333.480 1.949 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000623419646 450519487 /nfs/dbraw/zinc/51/94/87/450519487.db2.gz RCXMLHWCNGOMBV-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP C[NH+](C)C1(CNC(=O)NC[C@@H]2CCCC[N@H+](C)C2)CCOCC1 ZINC000623636989 450557037 /nfs/dbraw/zinc/55/70/37/450557037.db2.gz JKTZOZOMQDLHFV-HNNXBMFYSA-N 2 0 326.485 1.128 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)nc2)CCO1 ZINC000620976019 450568110 /nfs/dbraw/zinc/56/81/10/450568110.db2.gz FFRLCIOHOVFJTC-QGZVFWFLSA-N 2 0 334.464 1.326 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)CC[NH+]2CCN(c3ccccn3)CC2)CC[NH2+]1 ZINC000621153936 450602564 /nfs/dbraw/zinc/60/25/64/450602564.db2.gz BSQGNHLVNHSDBC-KRWDZBQOSA-N 2 0 345.491 1.050 20 0 EDADRP C[C@H]([NH2+][C@H]1CCN(c2ccc3nncn3n2)C1)C1CC[NH+](C)CC1 ZINC000624114218 450710333 /nfs/dbraw/zinc/71/03/33/450710333.db2.gz WFSWCLJQXNUJIZ-ZFWWWQNUSA-N 2 0 329.452 1.023 20 0 EDADRP C[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122508 450715493 /nfs/dbraw/zinc/71/54/93/450715493.db2.gz TWWSFVLTLILJAV-KGLIPLIRSA-N 2 0 325.478 1.717 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CN(Cc3ccncc3)CCO2)[C@H]2CCC[C@H]21 ZINC000624263109 450769856 /nfs/dbraw/zinc/76/98/56/450769856.db2.gz BERLZNJOISCHDG-YSTOQKLRSA-N 2 0 344.503 1.745 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)Nc2ccc(N3CCCC3=O)cc2)C[C@H]1C[NH3+] ZINC000631841977 450811991 /nfs/dbraw/zinc/81/19/91/450811991.db2.gz SPERDWMPJUNFBA-HUUCEWRRSA-N 2 0 344.459 1.669 20 0 EDADRP O=C(CC[C@@H]1CCC[NH2+]C1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000621668399 450824553 /nfs/dbraw/zinc/82/45/53/450824553.db2.gz DOBUXUUJAXJNCH-LPHOPBHVSA-N 2 0 345.487 1.649 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N3C[C@H]4CCC[C@]4([NH3+])C3)cc2)CC1 ZINC000621698920 450839254 /nfs/dbraw/zinc/83/92/54/450839254.db2.gz IQKHAWCYGVLJJR-QUCCMNQESA-N 2 0 342.487 1.387 20 0 EDADRP O=C(N[C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cc(-n2ccnc2)ccc1O ZINC000635328012 450853757 /nfs/dbraw/zinc/85/37/57/450853757.db2.gz GDGVNVAKKGTJMT-HZPDHXFCSA-N 2 0 326.400 1.935 20 0 EDADRP O=C([C@H]1CC[N@@H+]1C1CCCC1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000635334781 450858896 /nfs/dbraw/zinc/85/88/96/450858896.db2.gz BOWLMHIEJOZVFU-GOSISDBHSA-N 2 0 335.492 1.574 20 0 EDADRP Cc1c[nH+]ccc1N1CCC(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)CC1 ZINC000627651947 450868711 /nfs/dbraw/zinc/86/87/11/450868711.db2.gz KTDVIPDTGHJUFA-VQFNDLOPSA-N 2 0 328.460 1.625 20 0 EDADRP CC(C)(CN1CCOCC1)NC(=O)Cc1ccc(-n2ccnc2)cc1 ZINC000633427322 450843050 /nfs/dbraw/zinc/84/30/50/450843050.db2.gz LRRJXWWYDICYQD-UHFFFAOYSA-N 2 0 342.443 1.642 20 0 EDADRP C[C@@H]1CCCN(S(=O)(=O)CCC[NH+]2CCCC2)[C@@H]1CCC[NH3+] ZINC000631951394 450910580 /nfs/dbraw/zinc/91/05/80/450910580.db2.gz GSYKPCVNIARNMX-HZPDHXFCSA-N 2 0 331.526 1.642 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCC([N@@H+]3CCCOCC3)CC2)cn1 ZINC000627741309 450912076 /nfs/dbraw/zinc/91/20/76/450912076.db2.gz BFQQLGFSOSJVGS-UHFFFAOYSA-N 2 0 346.475 1.470 20 0 EDADRP O=C(C1C[NH+](C2CCCCC2)C1)N1CCC([N@@H+]2CCCOCC2)CC1 ZINC000627742216 450915092 /nfs/dbraw/zinc/91/50/92/450915092.db2.gz NDPWDAOEXDANLI-UHFFFAOYSA-N 2 0 349.519 1.964 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)C[C@H]3CC[N@H+](C)C3)ccc2oc1=O ZINC000635452170 450952606 /nfs/dbraw/zinc/95/26/06/450952606.db2.gz VGEMUZIQRDDYBN-CYBMUJFWSA-N 2 0 346.431 1.436 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000626850070 450957367 /nfs/dbraw/zinc/95/73/67/450957367.db2.gz AAHRAOZJMJEIAZ-INIZCTEOSA-N 2 0 344.459 1.130 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000630022847 450958774 /nfs/dbraw/zinc/95/87/74/450958774.db2.gz OHTYBQVRYXXFOO-RDJZCZTQSA-N 2 0 325.497 1.628 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000626890767 450987925 /nfs/dbraw/zinc/98/79/25/450987925.db2.gz SCIBVWIUCMVGEH-ZFWWWQNUSA-N 2 0 332.448 1.252 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCC2([NH+]3CCOCC3)CCCCC2)C[NH2+]1 ZINC000626920927 451004766 /nfs/dbraw/zinc/00/47/66/451004766.db2.gz NWCFXZTZMVOKDM-HOTGVXAUSA-N 2 0 338.496 1.461 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC2(C[NH3+])CCOCC2)C1 ZINC000626975348 451044967 /nfs/dbraw/zinc/04/49/67/451044967.db2.gz SPYZUCAMQSMJRX-HNNXBMFYSA-N 2 0 340.512 1.694 20 0 EDADRP CCN(CC[NH3+])C(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000626936812 451018512 /nfs/dbraw/zinc/01/85/12/451018512.db2.gz ZPGQABJYFPAZDW-SFHVURJKSA-N 2 0 347.507 1.355 20 0 EDADRP [NH3+]CCCOCCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000626939485 451020422 /nfs/dbraw/zinc/02/04/22/451020422.db2.gz GBPKCZXDWYJYEM-QGZVFWFLSA-N 2 0 334.464 1.316 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)C[NH2+]1 ZINC000627008734 451072872 /nfs/dbraw/zinc/07/28/72/451072872.db2.gz IOYAGOJWJLLSBA-HOCLYGCPSA-N 2 0 331.464 1.738 20 0 EDADRP COc1cccc([C@@H]2[C@H](NC(=O)N[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000627011247 451075740 /nfs/dbraw/zinc/07/57/40/451075740.db2.gz ZRJBSOJGSYWGCA-ZTFGCOKTSA-N 2 0 344.459 1.634 20 0 EDADRP C[NH2+]CCOCCNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H]1C ZINC000627038527 451095307 /nfs/dbraw/zinc/09/53/07/451095307.db2.gz JXFHQUUYBZCPSS-RDJZCZTQSA-N 2 0 334.464 1.185 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000626978588 451047715 /nfs/dbraw/zinc/04/77/15/451047715.db2.gz HIHCGCTYLYVNKY-KRWDZBQOSA-N 2 0 334.464 1.268 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NCC2CC[NH2+]CC2)CC1 ZINC000627067902 451110258 /nfs/dbraw/zinc/11/02/58/451110258.db2.gz HWMUDFOMAMNOSN-UHFFFAOYSA-N 2 0 338.496 1.272 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)NC[C@@H]2CCC[NH2+]C2)CC1 ZINC000627069656 451110306 /nfs/dbraw/zinc/11/03/06/451110306.db2.gz QIRZKEXMLOLPGH-MRXNPFEDSA-N 2 0 338.496 1.272 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC[N@@H+]1C ZINC000632209333 451118180 /nfs/dbraw/zinc/11/81/80/451118180.db2.gz FIKYMLVRZJFLEG-WNRNVDISSA-N 2 0 336.524 1.201 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2cnn(CC[NH+](C)C)c2)CC1 ZINC000633956333 451121974 /nfs/dbraw/zinc/12/19/74/451121974.db2.gz FPHABXYAGRXMIT-UHFFFAOYSA-N 2 0 347.507 1.925 20 0 EDADRP CN(CC[NH+](C)C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000635641385 451128731 /nfs/dbraw/zinc/12/87/31/451128731.db2.gz SKMRNRYBZLAGOU-UYAOXDASSA-N 2 0 345.487 1.545 20 0 EDADRP O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)N[C@@H]1CC[NH2+]C1 ZINC000627117511 451132944 /nfs/dbraw/zinc/13/29/44/451132944.db2.gz XWKWYXFDDLGELX-QZTJIDSGSA-N 2 0 342.487 1.950 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)C[C@@H]3CC[N@H+](C)C3)nc2)CC1 ZINC000635695923 451178797 /nfs/dbraw/zinc/17/87/97/451178797.db2.gz UQWLMHNFVDKVRM-HNNXBMFYSA-N 2 0 345.491 1.892 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NCCOCCC[NH3+])C1 ZINC000627212342 451190244 /nfs/dbraw/zinc/19/02/44/451190244.db2.gz MEWOVVPTBDJXLN-IAGOWNOFSA-N 2 0 340.512 1.648 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCN(CCOc3ccccc3)CC2)CC[N@@H+]1C ZINC000630500178 451222772 /nfs/dbraw/zinc/22/27/72/451222772.db2.gz IIZYGELSIXCFET-RBUKOAKNSA-N 2 0 345.487 1.940 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NS(=O)(=O)CC1(N(C)C)CC1 ZINC000632381101 451239233 /nfs/dbraw/zinc/23/92/33/451239233.db2.gz VPVQGNKPKDVITB-HNNXBMFYSA-N 2 0 331.526 1.511 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@@H]3OCC[C@@H]3[NH3+])CC2)cc1 ZINC000638085975 451252374 /nfs/dbraw/zinc/25/23/74/451252374.db2.gz VGFPKGPMENUWEN-ZWKOTPCHSA-N 2 0 347.459 1.140 20 0 EDADRP Cc1ccc(C[NH+]2CCSCC2)cc1NC(=O)CN1CC[NH2+]CC1 ZINC000638088647 451253138 /nfs/dbraw/zinc/25/31/38/451253138.db2.gz JLTWMWJUWIKEDM-UHFFFAOYSA-N 2 0 348.516 1.388 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)NCC[N@@H+]1CC[C@H](O)C1)CC(C)C ZINC000636524243 451266797 /nfs/dbraw/zinc/26/67/97/451266797.db2.gz IEHJFYUMMUTTDN-CVEARBPZSA-N 2 0 328.501 1.109 20 0 EDADRP CC[NH2+][C@H](C)C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000638113761 451282739 /nfs/dbraw/zinc/28/27/39/451282739.db2.gz UXIZKYBUBLTRHL-OAHLLOKOSA-N 2 0 325.497 1.914 20 0 EDADRP CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])[C@H](C)OCc2ccccc2)C1 ZINC000638126788 451296838 /nfs/dbraw/zinc/29/68/38/451296838.db2.gz BYSULKLFJZCXJZ-CGTJXYLNSA-N 2 0 333.476 1.719 20 0 EDADRP COC[C@@]1(C(=O)NC2CC[NH+](CCOC(C)C)CC2)CCCC[NH2+]1 ZINC000638131901 451303504 /nfs/dbraw/zinc/30/35/04/451303504.db2.gz FTFVMXOKIDFDQJ-GOSISDBHSA-N 2 0 341.496 1.151 20 0 EDADRP CCN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638135761 451308906 /nfs/dbraw/zinc/30/89/06/451308906.db2.gz VEGKQBXGBVWHDV-ICSRJNTNSA-N 2 0 345.487 1.736 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[N@H+](C)C(C)(C)C3)cn2)CC1 ZINC000640441084 451318582 /nfs/dbraw/zinc/31/85/82/451318582.db2.gz QFLATHHNYPBLNY-UHFFFAOYSA-N 2 0 334.468 1.708 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638153233 451324507 /nfs/dbraw/zinc/32/45/07/451324507.db2.gz CVTWXRXSZIAWIH-SZVBFZGTSA-N 2 0 331.460 1.379 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@H+](C)CCCC[NH+]2CCCCC2)C[C@H](C)O1 ZINC000640531085 451382754 /nfs/dbraw/zinc/38/27/54/451382754.db2.gz DMUXXBSTDNHVNB-CALCHBBNSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638176812 451339184 /nfs/dbraw/zinc/33/91/84/451339184.db2.gz FYQMDOGIMGFAEO-WFASDCNBSA-N 2 0 345.447 1.031 20 0 EDADRP CO[C@@]1(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)CCOC1 ZINC000638273409 451391712 /nfs/dbraw/zinc/39/17/12/451391712.db2.gz JEIBPKWHACROJZ-RTBURBONSA-N 2 0 333.476 1.370 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000638313321 451425324 /nfs/dbraw/zinc/42/53/24/451425324.db2.gz TZYMFCFGIQQLHR-LEUOFYLZSA-N 2 0 331.460 1.472 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)NCC2CC[NH+](C3CC3)CC2)c1 ZINC000638325107 451434704 /nfs/dbraw/zinc/43/47/04/451434704.db2.gz ZGMBFOCXJIYOAJ-SFHVURJKSA-N 2 0 331.460 1.556 20 0 EDADRP O=C(Cc1cccc2c1CC[NH2+]C2)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000638327844 451435861 /nfs/dbraw/zinc/43/58/61/451435861.db2.gz FPWKXMVYETZGFT-IEBWSBKVSA-N 2 0 327.472 1.865 20 0 EDADRP C[C@@H]1CCCN(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)[C@H]1CC[NH3+] ZINC000638392122 451482075 /nfs/dbraw/zinc/48/20/75/451482075.db2.gz YVOHJICOEKXWHJ-NXHRZFHOSA-N 2 0 332.492 1.422 20 0 EDADRP CC[C@@H](C(=O)Nc1ccccc1OCCN1CC[NH2+]CC1)[NH+](C)C ZINC000638341997 451445424 /nfs/dbraw/zinc/44/54/24/451445424.db2.gz ZYPLPZOUPVRLIE-INIZCTEOSA-N 2 0 334.464 1.249 20 0 EDADRP [NH3+]C1(CNC(=O)c2coc(CO)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000638342229 451446794 /nfs/dbraw/zinc/44/67/94/451446794.db2.gz CHHNMMZRJAXOIT-UHFFFAOYSA-N 2 0 343.427 1.495 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000638416331 451502504 /nfs/dbraw/zinc/50/25/04/451502504.db2.gz RFKWNJNFABLLSY-MJGOQNOKSA-N 2 0 331.460 1.140 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000634724391 451506486 /nfs/dbraw/zinc/50/64/86/451506486.db2.gz PBOYQATWQRYCLS-BHIYHBOVSA-N 2 0 328.460 1.602 20 0 EDADRP CN1CC[NH+](CCCC[NH2+]Cc2ccncc2Br)CC1 ZINC000631041043 451548006 /nfs/dbraw/zinc/54/80/06/451548006.db2.gz MZUORAWAONGCCE-UHFFFAOYSA-N 2 0 341.297 1.961 20 0 EDADRP C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)[C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000634740895 451518973 /nfs/dbraw/zinc/51/89/73/451518973.db2.gz LYNOAGJSOWVZLI-RLLQIKCJSA-N 2 0 327.472 1.967 20 0 EDADRP CO[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)[C@H]1CCOC1 ZINC000638459903 451525637 /nfs/dbraw/zinc/52/56/37/451525637.db2.gz NNJYACXRDGDIRT-MAUKXSAKSA-N 2 0 325.497 1.186 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12 ZINC000636144172 451545862 /nfs/dbraw/zinc/54/58/62/451545862.db2.gz YPKZSAYLAKXYNJ-SJORKVTESA-N 2 0 341.496 1.104 20 0 EDADRP C[NH+]1CCN(C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)c2ccccc2)CC1 ZINC000631062052 451562830 /nfs/dbraw/zinc/56/28/30/451562830.db2.gz ORCDBGCUSALMSY-GOSISDBHSA-N 2 0 326.444 1.866 20 0 EDADRP [NH3+]Cc1cccc2c1N(C(=O)c1cnn([C@@H]3CCC[NH2+]C3)c1)CCC2 ZINC000638543184 451569797 /nfs/dbraw/zinc/56/97/97/451569797.db2.gz DNNKCCVSBJHIQZ-QGZVFWFLSA-N 2 0 339.443 1.859 20 0 EDADRP CO[C@H](C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)C1CCOCC1 ZINC000638587167 451592073 /nfs/dbraw/zinc/59/20/73/451592073.db2.gz BFAGJFUTHJJWIS-FUHWJXTLSA-N 2 0 325.497 1.186 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)c1ccccc1CC1CC[NH2+]CC1 ZINC000638591073 451593924 /nfs/dbraw/zinc/59/39/24/451593924.db2.gz BJBASZCHOWWGIM-UHFFFAOYSA-N 2 0 333.476 1.537 20 0 EDADRP CCCCNc1cc(C)[nH+]c(N2CCC([N@H+](C)CCCO)CC2)n1 ZINC000631119199 451595170 /nfs/dbraw/zinc/59/51/70/451595170.db2.gz MMLLXBIDZQBKQR-UHFFFAOYSA-N 2 0 335.496 2.280 20 0 EDADRP CC(C)[C@H]([NH3+])c1cn(CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)nn1 ZINC000640836468 451621839 /nfs/dbraw/zinc/62/18/39/451621839.db2.gz FPYGVRATZJQTSK-AEFFLSMTSA-N 2 0 344.463 1.353 20 0 EDADRP CO[C@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)[C@@H]1CCOC1 ZINC000638694009 451657550 /nfs/dbraw/zinc/65/75/50/451657550.db2.gz YPZUCWARSSPBSX-QZTJIDSGSA-N 2 0 339.524 1.578 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000637014488 451680338 /nfs/dbraw/zinc/68/03/38/451680338.db2.gz FZMYTOXVMGWEOQ-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP O=C(c1cccc2c1CC[NH2+]C2)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000638785920 451691740 /nfs/dbraw/zinc/69/17/40/451691740.db2.gz HPIAEMPFTBMPHJ-QGZVFWFLSA-N 2 0 343.471 1.563 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)CC1 ZINC000638727049 451667687 /nfs/dbraw/zinc/66/76/87/451667687.db2.gz DAOYVYVDBBXMTQ-SJORKVTESA-N 2 0 335.492 1.620 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@@H]3CC[NH2+]C34CCCC4)cn2)CC1 ZINC000632960713 451670426 /nfs/dbraw/zinc/67/04/26/451670426.db2.gz JTMDHIRWIPNPPK-MRXNPFEDSA-N 2 0 346.479 1.946 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)N[C@H]3CCC[NH2+]CC3)CC2)c1 ZINC000641042389 451739620 /nfs/dbraw/zinc/73/96/20/451739620.db2.gz HMIZWVZUIQVTHG-AWEZNQCLSA-N 2 0 333.436 1.064 20 0 EDADRP Cn1cc(CCC[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)cn1 ZINC000638977580 451744741 /nfs/dbraw/zinc/74/47/41/451744741.db2.gz VEVLCCJIKAXQAX-IBGZPJMESA-N 2 0 328.460 1.709 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1COc2ccccc2C1 ZINC000638987223 451747016 /nfs/dbraw/zinc/74/70/16/451747016.db2.gz CNNDIYXOHCSWNP-HNNXBMFYSA-N 2 0 338.411 1.681 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)ccn1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000638986767 451747325 /nfs/dbraw/zinc/74/73/25/451747325.db2.gz ARYXBPAABZJUBJ-GOSISDBHSA-N 2 0 337.427 1.317 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000639134352 451773995 /nfs/dbraw/zinc/77/39/95/451773995.db2.gz LIXPKZRYHLHOOK-UHFFFAOYSA-N 2 0 338.521 1.937 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644521920 451838804 /nfs/dbraw/zinc/83/88/04/451838804.db2.gz CAOOYRWYVXFCPG-SJORKVTESA-N 2 0 328.497 1.787 20 0 EDADRP CC(C)(C)[C@@H]([NH3+])c1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641229451 451790853 /nfs/dbraw/zinc/79/08/53/451790853.db2.gz ITIRXEQGHMMEEZ-HKUYNNGSSA-N 2 0 343.475 1.961 20 0 EDADRP CC(=O)c1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000644524028 451839436 /nfs/dbraw/zinc/83/94/36/451839436.db2.gz LQFNPOBAIKLKLL-OKZBNKHCSA-N 2 0 332.444 1.845 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]CC(C)(C)C2(O)CCOCC2)CC1 ZINC000639270383 451802345 /nfs/dbraw/zinc/80/23/45/451802345.db2.gz GIXKSHVKJDBKGQ-UHFFFAOYSA-N 2 0 328.497 1.379 20 0 EDADRP COCCc1ccc(OC[C@H](O)C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000644524088 451840390 /nfs/dbraw/zinc/84/03/90/451840390.db2.gz QFWZPFNIYNZVIE-GBESFXJTSA-N 2 0 348.487 1.832 20 0 EDADRP CO[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)C1CCOCC1 ZINC000639302990 451816164 /nfs/dbraw/zinc/81/61/64/451816164.db2.gz ISRCNEACYRVLOS-LJQANCHMSA-N 2 0 340.508 1.909 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639369668 451850629 /nfs/dbraw/zinc/85/06/29/451850629.db2.gz WUYHYFZARSLLQI-QZTJIDSGSA-N 2 0 339.399 1.060 20 0 EDADRP CC(=O)c1ccc(OC[C@@H](O)C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1 ZINC000644563211 451864727 /nfs/dbraw/zinc/86/47/27/451864727.db2.gz SYEZEFYLTJICFQ-KDOFPFPSSA-N 2 0 334.460 1.949 20 0 EDADRP C[NH+](C)[C@]1(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)CCSC1 ZINC000644583364 451877687 /nfs/dbraw/zinc/87/76/87/451877687.db2.gz VPOIIVMNUKAVAM-ROUUACIJSA-N 2 0 337.533 1.506 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@H]2C[NH2+]CCC2(F)F)[NH+](C)C)c1 ZINC000649278675 451948864 /nfs/dbraw/zinc/94/88/64/451948864.db2.gz WBEDRJKPQAGWJI-HUUCEWRRSA-N 2 0 341.402 1.659 20 0 EDADRP C[C@@H]1CN(S(=O)(=O)c2cccc3c2CCN(C)C3)[C@@H](C)CN1C ZINC000641405670 451943984 /nfs/dbraw/zinc/94/39/84/451943984.db2.gz GDGNGPQWFUDKRJ-KGLIPLIRSA-N 2 0 337.489 1.388 20 0 EDADRP CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000649276937 451947640 /nfs/dbraw/zinc/94/76/40/451947640.db2.gz UFCHHXOURQNEFJ-HALDLXJZSA-N 2 0 341.459 1.782 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)CC2([NH3+])CCC2)cc1 ZINC000649276619 451948127 /nfs/dbraw/zinc/94/81/27/451948127.db2.gz RJMCNDOYHIAAHX-UHFFFAOYSA-N 2 0 346.475 1.968 20 0 EDADRP COc1cccc([C@@H](CNC(=O)COC2(C)C[NH2+]C2)[NH+]2CCCC2)c1 ZINC000649279328 451951450 /nfs/dbraw/zinc/95/14/50/451951450.db2.gz GCDHZMJZVIBSOK-QGZVFWFLSA-N 2 0 347.459 1.327 20 0 EDADRP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CCc4ncnn43)CC2)CC1 ZINC000639584568 451958050 /nfs/dbraw/zinc/95/80/50/451958050.db2.gz ZJXIKOBZNAXRAU-INIZCTEOSA-N 2 0 332.496 1.115 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C(=O)N[C@@H]3CCC[N@H+](C)C3)ccc21 ZINC000651610499 451959363 /nfs/dbraw/zinc/95/93/63/451959363.db2.gz GIYCERBKJAOTBL-NVXWUHKLSA-N 2 0 344.459 1.384 20 0 EDADRP COCCC1(C(=O)NCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]CC1 ZINC000649293962 451968731 /nfs/dbraw/zinc/96/87/31/451968731.db2.gz UNWDRWSCUPJMKF-CALCHBBNSA-N 2 0 339.524 1.877 20 0 EDADRP COCCC1(C(=O)NC[C@H](c2ccsc2)[NH+](C)C)CC[NH2+]CC1 ZINC000649293364 451968835 /nfs/dbraw/zinc/96/88/35/451968835.db2.gz OSBCLYPFNVUVJN-OAHLLOKOSA-N 2 0 339.505 1.873 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[N@H+](C)C2CCCCC2)cnn1C ZINC000649293663 451969479 /nfs/dbraw/zinc/96/94/79/451969479.db2.gz CXJBXSVXCZPRSV-MSOLQXFVSA-N 2 0 347.507 1.412 20 0 EDADRP C[N@H+](CCN1CCO[C@@H](CN2CC[NH+](C)CC2)C1)Cc1ccccc1 ZINC000649296092 451971016 /nfs/dbraw/zinc/97/10/16/451971016.db2.gz CKXWDVBGWXPXBK-FQEVSTJZSA-N 2 0 346.519 1.067 20 0 EDADRP CC1CC[NH+]([C@@H](CNC(=O)[C@@]2(N)CC[N@H+](C)C2)c2ccccc2)CC1 ZINC000649303856 451980129 /nfs/dbraw/zinc/98/01/29/451980129.db2.gz MXTJYLGWECEKMJ-AZUAARDMSA-N 2 0 344.503 1.609 20 0 EDADRP Cc1ccc([C@H](CNC(=O)COC2(C)C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000649309750 451988362 /nfs/dbraw/zinc/98/83/62/451988362.db2.gz DQCSDRYCQBHSJZ-KRWDZBQOSA-N 2 0 331.460 1.627 20 0 EDADRP CN(C(=O)[C@H]1C[NH2+]CCOC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649322894 452001723 /nfs/dbraw/zinc/00/17/23/452001723.db2.gz UPMMJZCCFNEVPN-KRWDZBQOSA-N 2 0 331.460 1.345 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1C[NH2+]CCOC1 ZINC000649332916 452014668 /nfs/dbraw/zinc/01/46/68/452014668.db2.gz VXDZPWPBPAONOO-KRWDZBQOSA-N 2 0 347.459 1.013 20 0 EDADRP CC(C)[NH+]1CCC(N2CC[NH+](CCCc3cncn3C)CC2)CC1 ZINC000653585260 452026475 /nfs/dbraw/zinc/02/64/75/452026475.db2.gz ICJDWCUOXRTKOH-UHFFFAOYSA-N 2 0 333.524 1.843 20 0 EDADRP CCCN(C(=O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[C@H]1CC[N@H+](C)C1 ZINC000647049737 452029289 /nfs/dbraw/zinc/02/92/89/452029289.db2.gz ZUMRUXZMJNSNMK-GJZGRUSLSA-N 2 0 340.512 1.022 20 0 EDADRP COc1ccc([C@@H](C[NH3+])CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000649414521 452076259 /nfs/dbraw/zinc/07/62/59/452076259.db2.gz FAEVRBNNUOGRFO-RBUKOAKNSA-N 2 0 346.519 1.449 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846854 452113389 /nfs/dbraw/zinc/11/33/89/452113389.db2.gz YPSUHGXUUBIEIS-ZWKOTPCHSA-N 2 0 332.492 1.470 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000637862194 452119243 /nfs/dbraw/zinc/11/92/43/452119243.db2.gz LTTGNFVAPHBOBS-CQSZACIVSA-N 2 0 345.447 1.128 20 0 EDADRP COc1cccc2c1OC[C@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000643451976 452229921 /nfs/dbraw/zinc/22/99/21/452229921.db2.gz IBOOSSXOQLEUEC-YYIAUSFCSA-N 2 0 332.444 1.745 20 0 EDADRP CNS(=O)(=O)Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000643454599 452231459 /nfs/dbraw/zinc/23/14/59/452231459.db2.gz NRXWEHKXYDHGID-CVEARBPZSA-N 2 0 325.478 1.485 20 0 EDADRP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H]1CCCOC1 ZINC000649755578 452233401 /nfs/dbraw/zinc/23/34/01/452233401.db2.gz RKNORSIKRSVBPF-ZWKOTPCHSA-N 2 0 333.476 1.906 20 0 EDADRP CCCN(C(=O)NC[C@@H]1CCC[NH+]1CCOC)[C@H]1CC[N@H+](C)C1 ZINC000645278901 452256446 /nfs/dbraw/zinc/25/64/46/452256446.db2.gz KQDKCBCOXWTRIH-HOTGVXAUSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NC[C@@H](c1cccc(OC)c1)[NH+]1CCCC1 ZINC000659428126 452271365 /nfs/dbraw/zinc/27/13/65/452271365.db2.gz XCOVZSMJIQEKKG-YOEHRIQHSA-N 2 0 334.464 1.739 20 0 EDADRP [NH3+]CC12CC(C1)CN2C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000659430704 452275312 /nfs/dbraw/zinc/27/53/12/452275312.db2.gz HXQHXVAJYSOKPV-UHFFFAOYSA-N 2 0 328.460 1.915 20 0 EDADRP CCCn1nccc1C[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000657491086 452277675 /nfs/dbraw/zinc/27/76/75/452277675.db2.gz VAUKKASGPDVQJG-UHFFFAOYSA-N 2 0 335.496 1.179 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(OCC[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641805450 452282300 /nfs/dbraw/zinc/28/23/00/452282300.db2.gz OESHCYCSWKPDDP-HUUCEWRRSA-N 2 0 341.477 1.031 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000659445235 452292816 /nfs/dbraw/zinc/29/28/16/452292816.db2.gz HABVRBSPFUPWLZ-IAOVAPTHSA-N 2 0 334.439 1.514 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000659446419 452295997 /nfs/dbraw/zinc/29/59/97/452295997.db2.gz NZBHOAOVQCNPDW-IAOVAPTHSA-N 2 0 336.455 1.911 20 0 EDADRP COCCn1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000657535972 452319406 /nfs/dbraw/zinc/31/94/06/452319406.db2.gz VLARWWJGJNMTCP-UHFFFAOYSA-N 2 0 336.480 1.510 20 0 EDADRP CCc1ccc([C@H](CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)[NH+](C)C)cc1 ZINC000638050716 452323475 /nfs/dbraw/zinc/32/34/75/452323475.db2.gz RDLNYBWWWPVWCS-LNLFQRSKSA-N 2 0 333.476 1.735 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000665758901 452328699 /nfs/dbraw/zinc/32/86/99/452328699.db2.gz SLSMDORFRWNNNB-BBWFWOEESA-N 2 0 341.544 1.383 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652137628 452331899 /nfs/dbraw/zinc/33/18/99/452331899.db2.gz RFLUJOFYAGTDFE-ZJIFWQFVSA-N 2 0 326.485 1.112 20 0 EDADRP [NH3+]C/C=C/CNC(=O)N1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000641867926 452332931 /nfs/dbraw/zinc/33/29/31/452332931.db2.gz XGSLFCANCCPQER-VZSQWMKGSA-N 2 0 328.460 1.809 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)CCC2C[NH2+]C2)c1 ZINC000638065965 452367684 /nfs/dbraw/zinc/36/76/84/452367684.db2.gz WSBOEKYQVYELGM-UHFFFAOYSA-N 2 0 346.475 1.696 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000638067506 452371565 /nfs/dbraw/zinc/37/15/65/452371565.db2.gz RKWZGWMCUPJKNF-MAUKXSAKSA-N 2 0 333.476 1.719 20 0 EDADRP O=C(NCCC[NH2+]C1CC1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659505599 452371974 /nfs/dbraw/zinc/37/19/74/452371974.db2.gz DAURCMFMGLMYMP-IRXDYDNUSA-N 2 0 334.439 1.713 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)[C@@H](N)C[NH+](C)Cc1ccccc1 ZINC000638070800 452375914 /nfs/dbraw/zinc/37/59/14/452375914.db2.gz AONMVVLRAJTBMS-MSOLQXFVSA-N 2 0 332.492 1.246 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638069955 452376287 /nfs/dbraw/zinc/37/62/87/452376287.db2.gz NVZWNFFAWGXQCU-WMZOPIPTSA-N 2 0 332.492 1.436 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NCC2CC[NH+](C3CC3)CC2)CC1 ZINC000652183761 452379167 /nfs/dbraw/zinc/37/91/67/452379167.db2.gz KTVCMYIZEFYMGW-UHFFFAOYSA-N 2 0 338.496 1.271 20 0 EDADRP [NH3+]CC1(CCNC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000652185909 452384043 /nfs/dbraw/zinc/38/40/43/452384043.db2.gz XXGRQHCAKXDIIT-KRWDZBQOSA-N 2 0 330.476 1.937 20 0 EDADRP C[C@H](CNC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000638075393 452385814 /nfs/dbraw/zinc/38/58/14/452385814.db2.gz QVMMECHEGXJXBH-AEFFLSMTSA-N 2 0 332.492 1.294 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC[C@@H]([NH+]3CCCC3)C2)c1 ZINC000638076253 452389504 /nfs/dbraw/zinc/38/95/04/452389504.db2.gz XKEQVRBGFJXDJN-SJLPKXTDSA-N 2 0 331.460 1.652 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652193736 452392397 /nfs/dbraw/zinc/39/23/97/452392397.db2.gz TZEVVGLZKAQEDR-LUKYLMHMSA-N 2 0 340.512 1.643 20 0 EDADRP C[C@@]1(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C[NH2+]CCO1 ZINC000638081516 452398106 /nfs/dbraw/zinc/39/81/06/452398106.db2.gz MNQLYHAUDIAXLM-IBGZPJMESA-N 2 0 331.460 1.393 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638081532 452398575 /nfs/dbraw/zinc/39/85/75/452398575.db2.gz ABJQGXNJHOLHJI-CJNGLKHVSA-N 2 0 325.416 1.501 20 0 EDADRP C[NH+](C)CCOc1ccc(NC(=O)c2cnc(C[NH3+])nc2)cc1Cl ZINC000638081273 452399860 /nfs/dbraw/zinc/39/98/60/452399860.db2.gz WKVUKMPLOUXILG-UHFFFAOYSA-N 2 0 349.822 1.781 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000659541178 452400200 /nfs/dbraw/zinc/40/02/00/452400200.db2.gz ZZOVDQSLFUBGLH-PBHICJAKSA-N 2 0 334.464 1.050 20 0 EDADRP C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000659551578 452407978 /nfs/dbraw/zinc/40/79/78/452407978.db2.gz VIXVSJXNGRVCGU-NDLNZWKESA-N 2 0 326.391 1.445 20 0 EDADRP CC[N@H+](CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1)C1CCCCC1 ZINC000652227231 452419169 /nfs/dbraw/zinc/41/91/69/452419169.db2.gz BVSRFKCUCPPUSZ-KRWDZBQOSA-N 2 0 340.512 1.790 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)NCC2([NH3+])CCCC2)cc1 ZINC000659574980 452429132 /nfs/dbraw/zinc/42/91/32/452429132.db2.gz SENXHOYQMDXQJE-INIZCTEOSA-N 2 0 334.464 1.869 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000654377479 452430362 /nfs/dbraw/zinc/43/03/62/452430362.db2.gz MQPQXWZEBBNEQU-CALCHBBNSA-N 2 0 339.528 1.044 20 0 EDADRP CC1(C)CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[NH2+]1 ZINC000659582544 452438764 /nfs/dbraw/zinc/43/87/64/452438764.db2.gz SRPVFZCOHWJRPG-HZPDHXFCSA-N 2 0 334.439 1.665 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@](O)(C2CC2)C1)c1ccccc1 ZINC000661629678 452449087 /nfs/dbraw/zinc/44/90/87/452449087.db2.gz ZZZBWRNZHIZQRM-ICSRJNTNSA-N 2 0 345.487 1.642 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@@H]2CCC[N@@H+]3CCCC[C@H]23)CC1 ZINC000654404508 452456896 /nfs/dbraw/zinc/45/68/96/452456896.db2.gz OIEZHFOCSFQBML-IAGOWNOFSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(CNC(=O)COCC[NH3+])cc2)C1 ZINC000645527009 452496216 /nfs/dbraw/zinc/49/62/16/452496216.db2.gz SBKHAHCPFMMCAE-HZPDHXFCSA-N 2 0 333.476 1.756 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@@H]21 ZINC000659641688 452504574 /nfs/dbraw/zinc/50/45/74/452504574.db2.gz QQQXMOLOKXIFPC-OKZBNKHCSA-N 2 0 334.508 1.877 20 0 EDADRP [NH3+][C@@H]1CCC[C@H]2CN(C(=O)NCC3CC[NH+](CC4CC4)CC3)C[C@H]21 ZINC000659641689 452504732 /nfs/dbraw/zinc/50/47/32/452504732.db2.gz QQQXMOLOKXIFPC-RCCFBDPRSA-N 2 0 334.508 1.877 20 0 EDADRP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652345452 452518543 /nfs/dbraw/zinc/51/85/43/452518543.db2.gz CCXHXKJNYIYFCW-RZFLPCETSA-N 2 0 337.508 1.994 20 0 EDADRP Cc1ccc(CNC(=O)C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652345992 452518571 /nfs/dbraw/zinc/51/85/71/452518571.db2.gz QNYXJJWKQAYGTF-FHWLQOOXSA-N 2 0 345.487 1.830 20 0 EDADRP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)COc1ccc(F)c(F)c1 ZINC000647786412 452520048 /nfs/dbraw/zinc/52/00/48/452520048.db2.gz OJRLROZQFZNHPP-REWJHTLYSA-N 2 0 326.387 1.682 20 0 EDADRP C[C@]1(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)NC(=O)NC1=O ZINC000647789823 452522994 /nfs/dbraw/zinc/52/29/94/452522994.db2.gz MDEFCMUTWTXDHT-QRCPMIHRSA-N 2 0 342.443 1.219 20 0 EDADRP Cc1csc(=O)n1CC[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652346752 452523584 /nfs/dbraw/zinc/52/35/84/452523584.db2.gz GWVKHGIXYIHOCB-KKUMJFAQSA-N 2 0 325.478 1.437 20 0 EDADRP C(NC1CC[NH+]([C@@H]2CCOC2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000655713332 452532145 /nfs/dbraw/zinc/53/21/45/452532145.db2.gz YQPKLMQRAIBLCU-GOSISDBHSA-N 2 0 337.508 1.474 20 0 EDADRP C[NH2+]Cc1ccccc1CNC(=O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659726281 452620239 /nfs/dbraw/zinc/62/02/39/452620239.db2.gz CALFPECEYPMKFP-INIZCTEOSA-N 2 0 346.475 1.011 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659734141 452630307 /nfs/dbraw/zinc/63/03/07/452630307.db2.gz MGSGAICCILLKCO-UHFFFAOYSA-N 2 0 340.512 1.201 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC([C@H]3CCCCO3)CC2)CC1 ZINC000661877091 452644023 /nfs/dbraw/zinc/64/40/23/452644023.db2.gz YGEWQBHJPOIMKY-GOSISDBHSA-N 2 0 337.508 1.868 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCO[C@@]3(CCSC3)C2)CC1 ZINC000647909494 452648691 /nfs/dbraw/zinc/64/86/91/452648691.db2.gz RMDFBHVKJKSJRK-RDJZCZTQSA-N 2 0 328.522 1.866 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000652460614 452656118 /nfs/dbraw/zinc/65/61/18/452656118.db2.gz AHEWFUAOJPVJNH-HOTGVXAUSA-N 2 0 340.512 1.022 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)[NH+]2CCCC2)o1 ZINC000655915154 452675232 /nfs/dbraw/zinc/67/52/32/452675232.db2.gz LIQYYCMVTGKXBL-AAEUAGOBSA-N 2 0 348.369 1.914 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H](C[NH3+])C(F)(F)F)Cc2ccccc2C1 ZINC000655920971 452683560 /nfs/dbraw/zinc/68/35/60/452683560.db2.gz VCMKNYGEKIMBFB-ZDUSSCGKSA-N 2 0 344.381 1.274 20 0 EDADRP C[C@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)[C@@H](c1ccccc1)[NH+](C)C ZINC000655924832 452690343 /nfs/dbraw/zinc/69/03/43/452690343.db2.gz RBLBEMVTWZNYLH-DRZSPHRISA-N 2 0 332.370 1.867 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)N[C@H](C[NH3+])C(F)(F)F)cc1 ZINC000655930958 452700309 /nfs/dbraw/zinc/70/03/09/452700309.db2.gz WBEQKSCCEMRHNU-CHWSQXEVSA-N 2 0 348.369 1.487 20 0 EDADRP Cc1ccc(CN2CC[C@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)cn1 ZINC000655940536 452710164 /nfs/dbraw/zinc/71/01/64/452710164.db2.gz UCMWYWZZEWECOP-IRXDYDNUSA-N 2 0 329.448 1.110 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](CCN3CCOCC3)CC2)C1 ZINC000658090768 452721371 /nfs/dbraw/zinc/72/13/71/452721371.db2.gz IXLSPNJOLHUAMQ-SFHVURJKSA-N 2 0 338.540 1.245 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@H](C)N2C[C@@H](C)O[C@@H](C)C2)CC[C@@H]1[NH3+] ZINC000655971176 452752209 /nfs/dbraw/zinc/75/22/09/452752209.db2.gz VKPBQKZXVUTLBX-RBZJEDDUSA-N 2 0 326.485 1.253 20 0 EDADRP C[C@H]([NH2+]C[C@]1(OCCO)CCOC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000658145606 452753373 /nfs/dbraw/zinc/75/33/73/452753373.db2.gz RQUCXZUVUFLOFN-YSIASYRMSA-N 2 0 348.487 1.655 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)NC[C@@H]1CCC[NH+]1CCOC ZINC000664066800 452759722 /nfs/dbraw/zinc/75/97/22/452759722.db2.gz ZXLAIUYVJTXTOX-HNNXBMFYSA-N 2 0 328.501 1.517 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NCC[C@H](C)[NH+](C)C)[C@H](C)C1 ZINC000664141245 452818146 /nfs/dbraw/zinc/81/81/46/452818146.db2.gz LIVBUOQPSXJPTO-IKGGRYGDSA-N 2 0 342.528 1.763 20 0 EDADRP [NH3+]C1(CC(=O)N(Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000648118838 452835785 /nfs/dbraw/zinc/83/57/85/452835785.db2.gz SWAFAPBPPNOXGN-CYBMUJFWSA-N 2 0 334.489 1.885 20 0 EDADRP COc1c(C)ncnc1NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000656113688 452871701 /nfs/dbraw/zinc/87/17/01/452871701.db2.gz VSTPLSUUZIVTHW-UHFFFAOYSA-N 2 0 342.447 1.813 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)c2ccc(C[NH3+])o2)c2ccccc2)CC1 ZINC000645903981 452888699 /nfs/dbraw/zinc/88/86/99/452888699.db2.gz QEJOVPJCZOFYGR-KRWDZBQOSA-N 2 0 342.443 1.457 20 0 EDADRP [NH3+][C@H]1CCCO[C@H]1C1CCN(C(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000648177601 452889671 /nfs/dbraw/zinc/88/96/71/452889671.db2.gz IOIOQNJETMBNBS-ROUUACIJSA-N 2 0 343.471 1.228 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2C[NH2+]CCC2(F)F)C[C@H]1c1cccc(F)c1 ZINC000648177955 452890073 /nfs/dbraw/zinc/89/00/73/452890073.db2.gz FDTRFTLMJOKNOY-BFHYXJOUSA-N 2 0 327.350 1.324 20 0 EDADRP O=C([C@@H]1C[C@H]2C[C@H]2[NH2+]1)N1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000648179240 452891026 /nfs/dbraw/zinc/89/10/26/452891026.db2.gz WHUUDDFOIYGDNM-RKVPGOIHSA-N 2 0 343.475 1.333 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)NC1CCN(CC[NH+](C)C)CC1 ZINC000650627607 452891774 /nfs/dbraw/zinc/89/17/74/452891774.db2.gz SQZMKCPSDKJPOH-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP C[C@H]1SCC[C@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000645910464 452893418 /nfs/dbraw/zinc/89/34/18/452893418.db2.gz OTIPZXGTFUUARK-HUUCEWRRSA-N 2 0 330.542 1.795 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@@H]1CCS[C@@H]1C ZINC000645915857 452896615 /nfs/dbraw/zinc/89/66/15/452896615.db2.gz HHVUFHIEWMEVHF-BZUAXINKSA-N 2 0 342.553 1.938 20 0 EDADRP C[C@H](CCNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+](C)C ZINC000658428587 452957814 /nfs/dbraw/zinc/95/78/14/452957814.db2.gz NHMQQXWMIDTOFO-CXAGYDPISA-N 2 0 346.475 1.630 20 0 EDADRP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248485 452973493 /nfs/dbraw/zinc/97/34/93/452973493.db2.gz DCDNYMDOHAJDMB-PBHICJAKSA-N 2 0 327.432 1.781 20 0 EDADRP c1ccn2c(c1)nnc2[C@H]1CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662260173 452991332 /nfs/dbraw/zinc/99/13/32/452991332.db2.gz GVYDSEPYTAQKLE-LSDHHAIUSA-N 2 0 327.432 1.430 20 0 EDADRP C[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000662263265 452992709 /nfs/dbraw/zinc/99/27/09/452992709.db2.gz MPADBUHDBFLRCY-RBUKOAKNSA-N 3 0 329.488 1.961 20 0 EDADRP CO[C@H](C[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1)C1CCCC1 ZINC000662266356 452995788 /nfs/dbraw/zinc/99/57/88/452995788.db2.gz WREWMPKANMBEOO-BPQIPLTHSA-N 2 0 337.508 1.772 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000662282377 453006799 /nfs/dbraw/zinc/00/67/99/453006799.db2.gz UGQHDFZEQFMHCB-ZBFHGGJFSA-N 2 0 336.484 1.189 20 0 EDADRP CC(C)(C)n1nnc(CC[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000662282375 453006985 /nfs/dbraw/zinc/00/69/85/453006985.db2.gz UGQHDFZEQFMHCB-GOEBONIOSA-N 2 0 336.484 1.189 20 0 EDADRP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](C(=O)NC(C)C)C2)cc1 ZINC000662315827 453033678 /nfs/dbraw/zinc/03/36/78/453033678.db2.gz HJFVMILRCPKXJH-IRXDYDNUSA-N 2 0 333.476 1.974 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000656301554 453035211 /nfs/dbraw/zinc/03/52/11/453035211.db2.gz ASYKSSLKTFRDTR-HNNXBMFYSA-N 2 0 340.512 1.166 20 0 EDADRP C[C@H](c1cnccn1)[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000662337637 453056739 /nfs/dbraw/zinc/05/67/39/453056739.db2.gz MLEFWBXQEFKQCX-CABCVRRESA-N 2 0 341.463 1.550 20 0 EDADRP Cc1cc(C[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)on1 ZINC000662337613 453056925 /nfs/dbraw/zinc/05/69/25/453056925.db2.gz MAKDPBPKWCVSGN-CQSZACIVSA-N 2 0 330.436 1.495 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000650863781 453064124 /nfs/dbraw/zinc/06/41/24/453064124.db2.gz CLXBBYYXASRCMB-INIZCTEOSA-N 2 0 326.485 1.225 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1F)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000644124733 453064394 /nfs/dbraw/zinc/06/43/94/453064394.db2.gz BKIYNKXQOOCMOO-AWEZNQCLSA-N 2 0 343.393 1.961 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664410631 453072153 /nfs/dbraw/zinc/07/21/53/453072153.db2.gz YBJURFWXJJCNRH-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1cn(CC[NH3+])nn1)c1ccsc1 ZINC000662383506 453092784 /nfs/dbraw/zinc/09/27/84/453092784.db2.gz AEIITUSHIGMFMU-AWEZNQCLSA-N 2 0 336.465 1.111 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662399137 453108017 /nfs/dbraw/zinc/10/80/17/453108017.db2.gz NEJBTCZUROEMKF-AWEZNQCLSA-N 2 0 328.420 1.564 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662428543 453135179 /nfs/dbraw/zinc/13/51/79/453135179.db2.gz FMLFGYPSIAYTEO-HUUCEWRRSA-N 2 0 333.480 1.871 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000662437462 453144293 /nfs/dbraw/zinc/14/42/93/453144293.db2.gz PXHPZVPTTLMCLG-IBGZPJMESA-N 2 0 347.503 1.906 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000662443913 453150520 /nfs/dbraw/zinc/15/05/20/453150520.db2.gz AZYUTDNQBJIGAN-MSOLQXFVSA-N 2 0 333.476 1.420 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662474706 453187525 /nfs/dbraw/zinc/18/75/25/453187525.db2.gz BFHANAYPKVSFHU-KRWDZBQOSA-N 2 0 333.476 1.763 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2cc([C@H]([NH3+])c3ccccc3)nn2)C1 ZINC000656448911 453189916 /nfs/dbraw/zinc/18/99/16/453189916.db2.gz PQFQMFHOZCIFLM-FUHWJXTLSA-N 2 0 329.448 1.683 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000660301603 453191137 /nfs/dbraw/zinc/19/11/37/453191137.db2.gz VOYSUIHDEWHJGP-OAGGEKHMSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000646213546 453227270 /nfs/dbraw/zinc/22/72/70/453227270.db2.gz YYLDBPCQYCAAEY-AWEZNQCLSA-N 2 0 347.463 1.332 20 0 EDADRP [NH3+]C[C@H]1CCCc2ccc(C(=O)N3CC[C@H](N4CC[NH2+]CC4)C3)cc21 ZINC000662516493 453234926 /nfs/dbraw/zinc/23/49/26/453234926.db2.gz HSIZNYVNSNVUPV-MSOLQXFVSA-N 2 0 342.487 1.185 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)NC(C)(C)CN2CC[NH+](CC)CC2)C1 ZINC000666921466 453241780 /nfs/dbraw/zinc/24/17/80/453241780.db2.gz WBDHWBZJGPEVBW-MRXNPFEDSA-N 2 0 339.528 1.186 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CCO[C@H](CCC[NH+](C)C)C2)C1 ZINC000666920221 453242392 /nfs/dbraw/zinc/24/23/92/453242392.db2.gz PZKZVGJLSOVYRD-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)NCCN1CC[NH+](C)C(C)(C)C1 ZINC000651079210 453249638 /nfs/dbraw/zinc/24/96/38/453249638.db2.gz LZRRAGBNUYPCDN-UHFFFAOYSA-N 2 0 341.544 1.290 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCc2ncncc2C1 ZINC000648781458 453262657 /nfs/dbraw/zinc/26/26/57/453262657.db2.gz IOYHAEMQNXCTHD-MRXNPFEDSA-N 2 0 347.507 1.314 20 0 EDADRP CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000666973080 453288286 /nfs/dbraw/zinc/28/82/86/453288286.db2.gz OODJBXMJBMGJOI-NVXWUHKLSA-N 2 0 338.496 1.223 20 0 EDADRP CO[C@H]1CC[C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000662575752 453303643 /nfs/dbraw/zinc/30/36/43/453303643.db2.gz DZCXQORXXJPSEB-ROUUACIJSA-N 2 0 345.487 1.911 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H](N)CC[NH+](C)C ZINC000653119197 453308808 /nfs/dbraw/zinc/30/88/08/453308808.db2.gz BCMPDGXBAARQSN-ZWKOTPCHSA-N 2 0 332.492 1.246 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000653121797 453313295 /nfs/dbraw/zinc/31/32/95/453313295.db2.gz BUYKCPKTMBWJRE-YCPHGPKFSA-N 2 0 338.521 1.526 20 0 EDADRP C[NH+](C)CCN(C(=O)C(=O)Nc1cccc(C[NH3+])c1)C1CCCC1 ZINC000667011235 453330295 /nfs/dbraw/zinc/33/02/95/453330295.db2.gz IKMTVQDUEUEBJB-UHFFFAOYSA-N 2 0 332.448 1.417 20 0 EDADRP C[C@@H]1[C@H](C(=O)N(C)C[C@@H]2CCC[NH+](C)[C@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000648869283 453346099 /nfs/dbraw/zinc/34/60/99/453346099.db2.gz NBDQOXMLBNGILI-CYGHRXIMSA-N 2 0 347.507 1.602 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccncc2)CC1)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000662636933 453351748 /nfs/dbraw/zinc/35/17/48/453351748.db2.gz FMXIHNNYJFARGY-QUCCMNQESA-N 2 0 342.487 1.800 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183698 453373935 /nfs/dbraw/zinc/37/39/35/453373935.db2.gz IMOPDKXAOICKKX-LEUOFYLZSA-N 2 0 349.450 1.613 20 0 EDADRP C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)[NH+]1CCCCCC1 ZINC000653185121 453375387 /nfs/dbraw/zinc/37/53/87/453375387.db2.gz WSJLGAFYKPQJGG-XDNAFOTISA-N 2 0 337.508 1.996 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000667067764 453383563 /nfs/dbraw/zinc/38/35/63/453383563.db2.gz IGSLXXRLMQIXIN-ZFWWWQNUSA-N 2 0 332.448 1.635 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)C1 ZINC000658784830 453392861 /nfs/dbraw/zinc/39/28/61/453392861.db2.gz SXRMQJUMIKYZPL-KRWDZBQOSA-N 2 0 346.475 1.596 20 0 EDADRP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(CNC(=O)C3(O)C[NH2+]C3)cc2)C1 ZINC000662677727 453396668 /nfs/dbraw/zinc/39/66/68/453396668.db2.gz RONKSYIGCVQNLJ-GJZGRUSLSA-N 2 0 331.460 1.115 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000662695346 453415685 /nfs/dbraw/zinc/41/56/85/453415685.db2.gz ZEWNZIOUOGHHNU-RDJZCZTQSA-N 2 0 333.480 1.658 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)[C@@H]2[NH2+]CCC2(C)C)cc1 ZINC000662699212 453420371 /nfs/dbraw/zinc/42/03/71/453420371.db2.gz XYRXUCYXSBSLMN-INIZCTEOSA-N 2 0 332.448 1.903 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[C@H]([NH+](C)C)[C@@H]3C)cc2)CC1 ZINC000646475992 453423005 /nfs/dbraw/zinc/42/30/05/453423005.db2.gz MORYJCUOGDAMMT-LPHOPBHVSA-N 2 0 344.503 1.993 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000662710761 453434785 /nfs/dbraw/zinc/43/47/85/453434785.db2.gz YYTFUEQANSLDSJ-SJLPKXTDSA-N 2 0 329.444 1.243 20 0 EDADRP [NH3+]C1CCC(OCC(=O)N2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)CC1 ZINC000653261306 453442867 /nfs/dbraw/zinc/44/28/67/453442867.db2.gz QGGNMRGWZRVAJS-GLUHHBOGSA-N 2 0 339.480 1.160 20 0 EDADRP CC(C)([NH3+])c1cc(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)on1 ZINC000662738912 453464763 /nfs/dbraw/zinc/46/47/63/453464763.db2.gz KDOQLABAGIHKKT-GFCCVEGCSA-N 2 0 336.436 1.099 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000664890579 453468450 /nfs/dbraw/zinc/46/84/50/453468450.db2.gz WWQBVZOOEABKCN-IRXDYDNUSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)[C@H]2CCC[N@H+](Cc3cccc(F)c3)C2)CC[C@H]1F ZINC000662747781 453478762 /nfs/dbraw/zinc/47/87/62/453478762.db2.gz BEJACIOTHWMMHP-USXIJHARSA-N 2 0 337.414 1.935 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662793976 453529419 /nfs/dbraw/zinc/52/94/19/453529419.db2.gz LWSKEARBVVVWDT-YQQAZPJKSA-N 2 0 346.479 1.149 20 0 EDADRP [NH3+][C@H]1CCCO[C@@H]1C1CCN(C(=O)c2cccc3c2CC[NH2+]C3)CC1 ZINC000662814064 453546552 /nfs/dbraw/zinc/54/65/52/453546552.db2.gz NUCNTFBZYNLDNR-RBUKOAKNSA-N 2 0 343.471 1.691 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662826031 453553826 /nfs/dbraw/zinc/55/38/26/453553826.db2.gz QWZUTXBAUYGKMX-BPQIPLTHSA-N 2 0 337.508 1.853 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)NCC1CC[NH+](C2CCOCC2)CC1 ZINC000662846028 453568341 /nfs/dbraw/zinc/56/83/41/453568341.db2.gz GMCONLNMGHTRGU-UHFFFAOYSA-N 2 0 345.487 1.809 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662851694 453571536 /nfs/dbraw/zinc/57/15/36/453571536.db2.gz BXQZKCDBFBJXIY-ZIAGYGMSSA-N 2 0 334.468 1.195 20 0 EDADRP C[C@H]1CN(CCNC(=O)NCc2ccc3c[nH+]cn3c2)[C@@H](C)CO1 ZINC000665111198 453577801 /nfs/dbraw/zinc/57/78/01/453577801.db2.gz WAAKNDJJZFWNPZ-KBPBESRZSA-N 2 0 331.420 1.243 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000659020377 453583862 /nfs/dbraw/zinc/58/38/62/453583862.db2.gz ZYMXWUJPRNXPAP-KRWDZBQOSA-N 2 0 332.448 1.781 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000665240855 453621120 /nfs/dbraw/zinc/62/11/20/453621120.db2.gz ULJGFERAHQFCSK-LZQZEXGQSA-N 2 0 333.476 1.110 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659096354 453629128 /nfs/dbraw/zinc/62/91/28/453629128.db2.gz PBTWHVISXDVZFI-OAHLLOKOSA-N 2 0 346.475 1.724 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000665283984 453635686 /nfs/dbraw/zinc/63/56/86/453635686.db2.gz YKACDDZKLKIIRC-RBUKOAKNSA-N 2 0 334.508 1.146 20 0 EDADRP CCCn1nccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000657301887 453760490 /nfs/dbraw/zinc/76/04/90/453760490.db2.gz JCDXPKIUDYURLX-UHFFFAOYSA-N 2 0 328.464 1.730 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NCc3cccnc3N3CCCC3)[C@H]2C1 ZINC000665617635 453768545 /nfs/dbraw/zinc/76/85/45/453768545.db2.gz QHMYWWKHUCWTPG-WBVHZDCISA-N 2 0 343.475 1.917 20 0 EDADRP c1nc2n(c1C[NH2+]CCCN1CCN(c3cc[nH+]cc3)CC1)CCC2 ZINC000657340036 453769454 /nfs/dbraw/zinc/76/94/54/453769454.db2.gz WPZNTUFCQPIXAM-UHFFFAOYSA-N 2 0 340.475 1.526 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657356054 453773479 /nfs/dbraw/zinc/77/34/79/453773479.db2.gz GLUDKIWEDYFIOH-SFHVURJKSA-N 2 0 329.448 1.594 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@]2(CO)CCc3ccccc32)CC1 ZINC000663355725 453777084 /nfs/dbraw/zinc/77/70/84/453777084.db2.gz BZHJVEQMZXPRBV-HXUWFJFHSA-N 2 0 345.487 1.399 20 0 EDADRP CN(C(=O)CC[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000663360671 453778274 /nfs/dbraw/zinc/77/82/74/453778274.db2.gz NBLDLCOORWUVPV-UHFFFAOYSA-N 2 0 332.492 1.655 20 0 EDADRP C[N@H+](CCCCNC(=O)NC1CC[NH+]([C@H]2CCOC2)CC1)C1CC1 ZINC000661296674 453786990 /nfs/dbraw/zinc/78/69/90/453786990.db2.gz HDIGBCCWMMPPCL-KRWDZBQOSA-N 2 0 338.496 1.413 20 0 EDADRP CC[NH+](CC)CCNC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000663400990 453790205 /nfs/dbraw/zinc/79/02/05/453790205.db2.gz AJAOTCAATKXZEZ-UHFFFAOYSA-N 2 0 347.507 1.935 20 0 EDADRP COCC[NH+]1CCC(Nc2cc(N3CCC(C)(O)CC3)ncn2)CC1 ZINC000663431470 453796699 /nfs/dbraw/zinc/79/66/99/453796699.db2.gz IGUXJCNLSCXFNT-UHFFFAOYSA-N 2 0 349.479 1.351 20 0 EDADRP O=C([C@H]1CCCC[N@@H+]1Cc1ccccc1)N1CCOC2(C[NH2+]C2)C1 ZINC000663487368 453807912 /nfs/dbraw/zinc/80/79/12/453807912.db2.gz FGVSFLMZTGLCEX-QGZVFWFLSA-N 2 0 329.444 1.242 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000663503752 453811565 /nfs/dbraw/zinc/81/15/65/453811565.db2.gz LVCHKUDDAHTMDL-UHFFFAOYSA-N 2 0 335.496 1.787 20 0 EDADRP CNC(=O)c1ccc(C[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000663502728 453811583 /nfs/dbraw/zinc/81/15/83/453811583.db2.gz AAWCJQXYNOHOFQ-UHFFFAOYSA-N 2 0 346.475 1.126 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(OC)cc2F)CC1 ZINC000663507160 453812380 /nfs/dbraw/zinc/81/23/80/453812380.db2.gz ZHGQQJFZUJCKCT-UHFFFAOYSA-N 2 0 337.439 1.915 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000416962475 486789762 /nfs/dbraw/zinc/78/97/62/486789762.db2.gz AECLINCWCKUEKG-JKSUJKDBSA-N 2 0 334.464 1.696 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000417289126 486796759 /nfs/dbraw/zinc/79/67/59/486796759.db2.gz OUXWJCQLIOAISR-XIRDDKMYSA-N 2 0 340.512 1.645 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)C1 ZINC000417909594 486815277 /nfs/dbraw/zinc/81/52/77/486815277.db2.gz KFIDOKPWKRXRPT-XBVQOTNRSA-N 2 0 338.496 1.323 20 0 EDADRP CC[C@@H]1CN(Cc2ccc(S(=O)(=O)N(C)C)cc2)CC[C@H]1[NH3+] ZINC000318899856 486814421 /nfs/dbraw/zinc/81/44/21/486814421.db2.gz QGRCSPFPCVZMJW-GDBMZVCRSA-N 2 0 325.478 1.496 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681136493 486948281 /nfs/dbraw/zinc/94/82/81/486948281.db2.gz VNJDDNPMIOITRK-SFHVURJKSA-N 3 0 348.535 1.743 20 0 EDADRP COCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000684164018 486964169 /nfs/dbraw/zinc/96/41/69/486964169.db2.gz QLQMUOKKSCURIL-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP C[NH+]1CC2(C1)CCN(C(=O)c1cccc(CN3CC[NH+](C)CC3)c1)C2 ZINC000684171427 486965493 /nfs/dbraw/zinc/96/54/93/486965493.db2.gz PBRKCKHWCFYNJG-UHFFFAOYSA-N 2 0 342.487 1.212 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](C[C@@H]2CNc3ccnn3C2)CC1 ZINC000684193982 486978523 /nfs/dbraw/zinc/97/85/23/486978523.db2.gz CLTQSVLRMFUDNP-KSZLIROESA-N 2 0 346.523 1.415 20 0 EDADRP CC[NH+]1CCN(c2cc(N3CC[N@@H+](CC)[C@H](C)C3)ncn2)C[C@H]1C ZINC000681236710 486985088 /nfs/dbraw/zinc/98/50/88/486985088.db2.gz SVRLRMOCSUKWJX-HZPDHXFCSA-N 2 0 332.496 1.537 20 0 EDADRP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[C@@H]([NH+]2CCN(C)CC2)CC1 ZINC000681360394 487024777 /nfs/dbraw/zinc/02/47/77/487024777.db2.gz DERZVKJVRQPDEM-YESZJQIVSA-N 2 0 338.540 1.828 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530939 487050073 /nfs/dbraw/zinc/05/00/73/487050073.db2.gz MRDYQFGDZSYSNI-RBUKOAKNSA-N 2 0 345.487 1.472 20 0 EDADRP O=C(N[C@H](CO)C[NH+]1CCCC1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000673530937 487050895 /nfs/dbraw/zinc/05/08/95/487050895.db2.gz MRDYQFGDZSYSNI-OALUTQOASA-N 2 0 345.487 1.472 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000673869090 487140174 /nfs/dbraw/zinc/14/01/74/487140174.db2.gz LFWIAPNPSYYFJL-GASCZTMLSA-N 2 0 336.484 1.829 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[N@@H+](C(C)(C)C)CC2)cn1 ZINC000673869196 487140767 /nfs/dbraw/zinc/14/07/67/487140767.db2.gz NEUCRFVBPZPYPR-UHFFFAOYSA-N 2 0 336.484 1.783 20 0 EDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC000681764570 487161727 /nfs/dbraw/zinc/16/17/27/487161727.db2.gz ASPNSPALUZVUIY-MJGOQNOKSA-N 2 0 331.460 1.034 20 0 EDADRP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000684955547 487200284 /nfs/dbraw/zinc/20/02/84/487200284.db2.gz PLOMBNGFAXLVQK-CYBMUJFWSA-N 2 0 343.393 2.000 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000675196645 487388418 /nfs/dbraw/zinc/38/84/18/487388418.db2.gz GXBJAHMOGBNAQQ-HNNXBMFYSA-N 2 0 326.485 1.271 20 0 EDADRP CN1C(=O)N[C@@]2(CCC[C@H]2C[NH2+]C2CC[NH+](CC3CC3)CC2)C1=O ZINC000679066763 487390324 /nfs/dbraw/zinc/39/03/24/487390324.db2.gz URSFOSIKXBCBOC-KBXCAEBGSA-N 2 0 334.464 1.171 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000502559153 487458393 /nfs/dbraw/zinc/45/83/93/487458393.db2.gz NDXLLJKDJSONPJ-SQNIBIBYSA-N 2 0 337.508 1.963 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)C1 ZINC000668942714 485476542 /nfs/dbraw/zinc/47/65/42/485476542.db2.gz MFEZOEOXCQWOSF-CABCVRRESA-N 2 0 340.512 1.070 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CCO1 ZINC000669517964 485483931 /nfs/dbraw/zinc/48/39/31/485483931.db2.gz CNPYEXKSHNJRNJ-BBRMVZONSA-N 2 0 338.427 1.015 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000668982984 485524256 /nfs/dbraw/zinc/52/42/56/485524256.db2.gz HLIRAPHBSUHEQS-GOSISDBHSA-N 2 0 328.460 1.799 20 0 EDADRP COC1CC[NH+](CCNC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)CC1 ZINC000085425032 491189359 /nfs/dbraw/zinc/18/93/59/491189359.db2.gz XTNJHFNRHKXXFC-AWEZNQCLSA-N 2 0 328.501 1.373 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cccn3C3CC[NH2+]CC3)CC[C@@H]21 ZINC000325195525 485663954 /nfs/dbraw/zinc/66/39/54/485663954.db2.gz DSIHGYJSBFFLAK-WBVHZDCISA-N 2 0 330.476 1.969 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)N2CCO[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000669201335 485802244 /nfs/dbraw/zinc/80/22/44/485802244.db2.gz PKDGGJRWRUPDPC-CRAIPNDOSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CCO1 ZINC000668518758 485836935 /nfs/dbraw/zinc/83/69/35/485836935.db2.gz SOBLMMFRXSNCMM-CRAIPNDOSA-N 2 0 346.475 1.409 20 0 EDADRP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1cccc(-n2ccnn2)c1 ZINC000672601880 485924729 /nfs/dbraw/zinc/92/47/29/485924729.db2.gz VABHQJTYNOUDJR-INIZCTEOSA-N 2 0 342.491 1.944 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](OC)C1CCC1 ZINC000667812296 486089930 /nfs/dbraw/zinc/08/99/30/486089930.db2.gz IVGVTALTLZIKEX-SJORKVTESA-N 2 0 325.497 1.676 20 0 EDADRP O=C(NCC[N@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+](Cc2cccc(F)c2)C1 ZINC000629174668 486113052 /nfs/dbraw/zinc/11/30/52/486113052.db2.gz GGPQYWVRVNAOCH-FUHWJXTLSA-N 2 0 349.450 1.221 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669420087 486139093 /nfs/dbraw/zinc/13/90/93/486139093.db2.gz AAMSUHSHWWNIOK-QRVBRYPASA-N 2 0 342.487 1.759 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)Nc2ccc3nccn3c2)CC1(C)C ZINC000669423414 486144012 /nfs/dbraw/zinc/14/40/12/486144012.db2.gz OHZJDMMYUGMCQS-UHFFFAOYSA-N 2 0 330.436 1.482 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCc3nc[nH]c3C2)[C@@H](C)C1 ZINC000668817907 486225388 /nfs/dbraw/zinc/22/53/88/486225388.db2.gz BYTBHKKWQMEUAH-XHSDSOJGSA-N 2 0 348.491 1.768 20 0 EDADRP CC[C@H](C)[NH+]1CCN(c2nnc([C@@H]3C[N@@H+]4CCC[C@@H]4CO3)n2C)CC1 ZINC000668930866 486355444 /nfs/dbraw/zinc/35/54/44/486355444.db2.gz BINHVAFKRLKPCZ-XHSDSOJGSA-N 2 0 348.495 1.271 20 0 EDADRP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]2CN2CCOCC2)cc1 ZINC000092217889 491202569 /nfs/dbraw/zinc/20/25/69/491202569.db2.gz NDHZSVLPYNGTPF-IBGZPJMESA-N 2 0 347.503 1.924 20 0 EDADRP C[C@H]([NH2+]CCCN1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC000133734223 491222380 /nfs/dbraw/zinc/22/23/80/491222380.db2.gz OMXSOAIQJJMQNR-KRWDZBQOSA-N 2 0 346.523 1.309 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)[C@H](C)[NH+](C)C ZINC000078757091 491002434 /nfs/dbraw/zinc/00/24/34/491002434.db2.gz ZHRDSUORTSVCBD-AWEZNQCLSA-N 2 0 334.464 1.726 20 0 EDADRP COc1cc(CN2CCN(C(=O)[C@H](C)[NH+](C)C)CC2)cc(OC)c1 ZINC000078760167 491002619 /nfs/dbraw/zinc/00/26/19/491002619.db2.gz MWDLUTWNGABEKG-AWEZNQCLSA-N 2 0 335.448 1.298 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000186724325 534091966 /nfs/dbraw/zinc/09/19/66/534091966.db2.gz UQVSLVHOPMDKDV-SJLPKXTDSA-N 2 0 330.476 1.313 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@H](C[NH+](C)C)c2ccc(F)cc2)n1 ZINC000577962346 517907839 /nfs/dbraw/zinc/90/78/39/517907839.db2.gz RETBODRSBGMCLK-QGZVFWFLSA-N 2 0 347.438 1.617 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccsc1 ZINC000188720142 520836894 /nfs/dbraw/zinc/83/68/94/520836894.db2.gz ZOGTTWRJCFDNKA-HNNXBMFYSA-N 2 0 347.488 1.930 20 0 EDADRP CCO[C@H]1C[C@]([NH3+])(C(=O)NCC[NH2+]C2CCCCCC2)C1(C)C ZINC000187181239 528158438 /nfs/dbraw/zinc/15/84/38/528158438.db2.gz WJGNEGIIESKCAE-YJBOKZPZSA-N 2 0 325.497 1.948 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000339607142 535066370 /nfs/dbraw/zinc/06/63/70/535066370.db2.gz IJKDCFMAGPSLOL-CVEARBPZSA-N 2 0 340.512 1.163 20 0 EDADRP CC1(C)[C@H]([NH2+]CCCC[NH+]2CCN(CCO)CC2)[C@@H]2CCCO[C@@H]21 ZINC000344128793 535069779 /nfs/dbraw/zinc/06/97/79/535069779.db2.gz IWFRDJFRSRETCZ-KSZLIROESA-N 2 0 339.524 1.170 20 0 EDADRP CC(C)[NH+]1CCN(c2ccc(C(=O)NC3CC[NH2+]CC3)cc2)CC1 ZINC000262510402 535203148 /nfs/dbraw/zinc/20/31/48/535203148.db2.gz LNNLZDSJVQIOKM-UHFFFAOYSA-N 2 0 330.476 1.699 20 0 EDADRP CC[C@@H](C(=O)NCCNc1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000353042458 535413789 /nfs/dbraw/zinc/41/37/89/535413789.db2.gz XJUBDVAGIPVJRI-SFHVURJKSA-N 2 0 326.444 1.942 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H]2CC[NH+](C)[C@@H](C)C2)CC[N@@H+]1CCOC ZINC000347218431 535430684 /nfs/dbraw/zinc/43/06/84/535430684.db2.gz NYQIWEWPRZPJRT-GVDBMIGSSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH2+]CC1CC[NH+](Cc2ccccc2OCC(=O)N(C)C)CC1 ZINC000347235082 535459978 /nfs/dbraw/zinc/45/99/78/535459978.db2.gz ZZTOLEPQNGFXBH-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H]2CCC[NH+](C)[C@H]2C)C[C@@H]1CC ZINC000345746698 535596637 /nfs/dbraw/zinc/59/66/37/535596637.db2.gz MAGZXMXZLPVZAR-YESZJQIVSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@]2(COC)CC[NH2+]C2)cc1 ZINC000261784875 535606109 /nfs/dbraw/zinc/60/61/09/535606109.db2.gz YFBWGWQWMSMAOB-IBGZPJMESA-N 2 0 333.476 1.771 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])C2CCOCC2)c1 ZINC000261602529 535607947 /nfs/dbraw/zinc/60/79/47/535607947.db2.gz ACKYODLPYBEEAD-GOSISDBHSA-N 2 0 333.476 1.899 20 0 EDADRP CC[NH+]1CCN(CC(=O)Nc2cccc(OCCC[NH+](C)C)c2)CC1 ZINC000346950868 535666760 /nfs/dbraw/zinc/66/67/60/535666760.db2.gz ZREYYIRAAMHAKP-UHFFFAOYSA-N 2 0 348.491 1.593 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[C@H](C[NH3+])O1)Cc1ccccc1 ZINC000261831811 535674956 /nfs/dbraw/zinc/67/49/56/535674956.db2.gz QBXLKHGHYGEQAX-KSZLIROESA-N 2 0 333.476 1.562 20 0 EDADRP CC[N@H+](CCC(=O)N1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000262113527 535702999 /nfs/dbraw/zinc/70/29/99/535702999.db2.gz MTFLNGUHLVJEHW-UHFFFAOYSA-N 2 0 346.475 1.386 20 0 EDADRP COc1cc(C)c(C[N@H+](C)CCC(=O)N2CC[NH2+]CC2)cc1OC ZINC000262113572 536565417 /nfs/dbraw/zinc/56/54/17/536565417.db2.gz MTSLCPZTZJSJMY-UHFFFAOYSA-N 2 0 335.448 1.266 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]([NH3+])CC(C)C)CCCC2)CC1 ZINC000353582407 536753969 /nfs/dbraw/zinc/75/39/69/536753969.db2.gz QHSLCMPTFUZTEW-INIZCTEOSA-N 2 0 325.497 1.900 20 0 EDADRP CCC[C@@H]1[C@H](C)CCC[N@@H+]1CN1C(=O)NC2(CC[NH+](C)CC2)C1=O ZINC000743380094 579478315 /nfs/dbraw/zinc/47/83/15/579478315.db2.gz FBWTXCFYPUWRBS-HUUCEWRRSA-N 2 0 336.480 1.861 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=S)NCC2CC[NH+](C)CC2)C1 ZINC000760488235 580031899 /nfs/dbraw/zinc/03/18/99/580031899.db2.gz REPFYRLHUHYYRD-MRXNPFEDSA-N 2 0 326.554 1.866 20 0 EDADRP C[C@H](CNC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1)[NH+]1CCCCC1 ZINC000745696613 579558283 /nfs/dbraw/zinc/55/82/83/579558283.db2.gz HGNSGMNEGAJWOY-DLBZAZTESA-N 2 0 339.528 1.044 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCn1nc(C)cc1C ZINC000750734677 579778862 /nfs/dbraw/zinc/77/88/62/579778862.db2.gz KRLIFQOXEPIMSE-SFHVURJKSA-N 2 0 349.523 1.765 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CSCCS1 ZINC000750996287 579790419 /nfs/dbraw/zinc/79/04/19/579790419.db2.gz GMOWZSJMSMEXKV-CABCVRRESA-N 2 0 345.578 1.710 20 0 EDADRP CC(=O)OC1CC[NH+](CC(C)C[NH+]2CCC(OC(C)=O)CC2)CC1 ZINC000753194084 579874653 /nfs/dbraw/zinc/87/46/53/579874653.db2.gz SZLHURKRQBLFDP-UHFFFAOYSA-N 2 0 340.464 1.678 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000764491853 580121724 /nfs/dbraw/zinc/12/17/24/580121724.db2.gz VNIVTKVRHBGPIS-CABCVRRESA-N 2 0 326.554 1.865 20 0 EDADRP C[NH+](C)C1(C(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1 ZINC000768426595 580212512 /nfs/dbraw/zinc/21/25/12/580212512.db2.gz RGHHUBNABGTKOA-GOSISDBHSA-N 2 0 345.487 1.744 20 0 EDADRP C[NH+](C)C1(C(=O)N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000780067928 580510910 /nfs/dbraw/zinc/51/09/10/580510910.db2.gz CJWGJBRAFOAYGZ-QGZVFWFLSA-N 2 0 330.476 1.846 20 0 EDADRP O=C1OCCN1CCC[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000780329331 580518753 /nfs/dbraw/zinc/51/87/53/580518753.db2.gz BGPIXMRNNIFMDQ-UHFFFAOYSA-N 2 0 339.480 1.653 20 0 EDADRP C[C@@H](c1cccc(S(N)(=O)=O)c1)[N@H+](C)CC1CC[NH+](C)CC1 ZINC000782184560 580568770 /nfs/dbraw/zinc/56/87/70/580568770.db2.gz TYCCTMQCKMXCLK-ZDUSSCGKSA-N 2 0 325.478 1.669 20 0 EDADRP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000786832929 580680678 /nfs/dbraw/zinc/68/06/78/580680678.db2.gz UJLRFBPLMIQSND-JKSUJKDBSA-N 2 0 345.491 1.503 20 0 EDADRP O=C(COC(=O)c1ccc2c[nH+]cn2c1)NC1CC[NH+](C2CC2)CC1 ZINC000792545732 580822831 /nfs/dbraw/zinc/82/28/31/580822831.db2.gz GOWMBKYPCBIJDU-UHFFFAOYSA-N 2 0 342.399 1.234 20 0 EDADRP COc1ccc([C@@H]2C[C@H]2NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000793384888 580843160 /nfs/dbraw/zinc/84/31/60/580843160.db2.gz PBQIBVYUWZTNBV-ZWKOTPCHSA-N 2 0 348.491 1.686 20 0 EDADRP C[NH+](C)CCC1CC[NH+](C[C@H](O)CCNC(=O)OC(C)(C)C)CC1 ZINC000794295078 580885336 /nfs/dbraw/zinc/88/53/36/580885336.db2.gz ZTMLYDHPRZDLPZ-MRXNPFEDSA-N 2 0 343.512 1.926 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1(C)C ZINC000799726977 581035435 /nfs/dbraw/zinc/03/54/35/581035435.db2.gz UEXRPERYAWXXAI-KFWWJZLASA-N 2 0 329.579 1.982 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cnn(CC3CCC3)c2)CC1 ZINC000891834190 590644877 /nfs/dbraw/zinc/64/48/77/590644877.db2.gz PGXQQJFGHRGOCP-UHFFFAOYSA-N 2 0 347.507 1.573 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)NCC2CC[NH+](C3CC3)CC2)C[C@@H]1C(F)(F)F ZINC000891858935 590659115 /nfs/dbraw/zinc/65/91/15/590659115.db2.gz YDVNKQVMXDROEQ-OCCSQVGLSA-N 2 0 348.413 1.639 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@H]3C[N@H+](C)C[C@@H]32)Cc2ccccc2C1 ZINC000893191990 590703657 /nfs/dbraw/zinc/70/36/57/590703657.db2.gz ROEGGJZMSWUXQH-ROUUACIJSA-N 2 0 342.487 1.431 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CC[C@@H]3C[N@H+](C)C[C@@H]32)Cc2ccccc2C1 ZINC000893191988 590703922 /nfs/dbraw/zinc/70/39/22/590703922.db2.gz ROEGGJZMSWUXQH-MSOLQXFVSA-N 2 0 342.487 1.431 20 0 EDADRP C[NH2+]CCCNC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(C)C1 ZINC000891962959 590711160 /nfs/dbraw/zinc/71/11/60/590711160.db2.gz VFXSJMHMHWZNAQ-PKOBYXMFSA-N 2 0 330.476 1.759 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)NC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000891980436 590721852 /nfs/dbraw/zinc/72/18/52/590721852.db2.gz VIBYHTFXQDISSW-MSOLQXFVSA-N 2 0 330.476 1.868 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)NCCc1cn2c(n1)CCCC2 ZINC000891990528 590731123 /nfs/dbraw/zinc/73/11/23/590731123.db2.gz VYIVJOJLRHDRPT-CVEARBPZSA-N 2 0 331.464 1.640 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)N1CC[NH2+]C[C@@H]1c1ccc(OC)cc1 ZINC000892040219 590766547 /nfs/dbraw/zinc/76/65/47/590766547.db2.gz JXKUSNJJHZAGCS-NVXWUHKLSA-N 2 0 334.464 1.869 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000892080406 590788500 /nfs/dbraw/zinc/78/85/00/590788500.db2.gz WZWSUVKBVVFCKM-COXVUDFISA-N 2 0 332.448 1.349 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892188246 590854300 /nfs/dbraw/zinc/85/43/00/590854300.db2.gz KMYYKVLZOJUNNO-ADKAHSJRSA-N 2 0 330.476 1.873 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000892250475 590886387 /nfs/dbraw/zinc/88/63/87/590886387.db2.gz JHQRZZKMMZGXAS-MRXNPFEDSA-N 2 0 332.448 1.623 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NCCC(C)(C)[NH3+])cc1 ZINC000892255662 590888862 /nfs/dbraw/zinc/88/88/62/590888862.db2.gz PQOAMFCAPUCOBX-IRXDYDNUSA-N 2 0 348.491 1.957 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000892255342 590889857 /nfs/dbraw/zinc/88/98/57/590889857.db2.gz GGCKGPAGHRJCAO-DWRORGKVSA-N 2 0 346.450 1.855 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N[C@H]3CC34CC[NH2+]CC4)cn2)CC1 ZINC000892266801 590899635 /nfs/dbraw/zinc/89/96/35/590899635.db2.gz GKRALJOTTTUOIG-HNNXBMFYSA-N 2 0 332.452 1.413 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C12CCC2)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000892273414 590905577 /nfs/dbraw/zinc/90/55/77/590905577.db2.gz HIUZKEPKVDSBCP-MRXNPFEDSA-N 2 0 336.480 1.214 20 0 EDADRP CC[NH+](CC)CCOCC[NH2+]Cc1ncc(Br)cc1O ZINC000893562963 590961643 /nfs/dbraw/zinc/96/16/43/590961643.db2.gz FTPCQFYEFLWRNL-UHFFFAOYSA-N 2 0 346.269 1.998 20 0 EDADRP CN(CCCN1CC[NH+](C)CC1)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892384403 591004340 /nfs/dbraw/zinc/00/43/40/591004340.db2.gz AMOLOIKMRRTQOH-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP COCCOC[C@@H](C)[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000892397768 591010255 /nfs/dbraw/zinc/01/02/55/591010255.db2.gz SFJNWHVRPFFAOU-IEBWSBKVSA-N 2 0 335.492 1.616 20 0 EDADRP COC(=O)c1sccc1C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000893661729 591038424 /nfs/dbraw/zinc/03/84/24/591038424.db2.gz NITPITBZOCUSJY-ZDUSSCGKSA-N 2 0 325.478 1.650 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H](NC(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000892478190 591041202 /nfs/dbraw/zinc/04/12/02/591041202.db2.gz JOJHTIZZRCUIHO-SJORKVTESA-N 2 0 330.476 1.778 20 0 EDADRP CC[C@@H](CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000891346520 591052664 /nfs/dbraw/zinc/05/26/64/591052664.db2.gz CGDSFZSFKSJPPP-BZSNNMDCSA-N 2 0 328.460 1.579 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H](NC(=O)N3CC[C@@H]4[NH2+]CC[C@H]4C3)C2)cc1 ZINC000892529969 591060714 /nfs/dbraw/zinc/06/07/14/591060714.db2.gz GSXMXFUMJLPPDU-FHWLQOOXSA-N 2 0 342.487 1.963 20 0 EDADRP C[N@@H+]1CCN(CCC[NH2+]C2CCS(=O)CC2)[C@@H](c2ccccc2)C1 ZINC000892553792 591069761 /nfs/dbraw/zinc/06/97/61/591069761.db2.gz RQXFMVWKQHNEDF-IQJRZOLZSA-N 2 0 349.544 1.866 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891455519 591077494 /nfs/dbraw/zinc/07/74/94/591077494.db2.gz CISRKJASARHLLJ-UHFFFAOYSA-N 2 0 343.431 1.604 20 0 EDADRP C[C@H](C[NH+]1CCN(c2ccccn2)CC1)Nc1cc[nH+]cc1CO ZINC000892592192 591085109 /nfs/dbraw/zinc/08/51/09/591085109.db2.gz ODZBEENTMHPEFF-OAHLLOKOSA-N 2 0 327.432 1.013 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3COC(C)(C)O3)cn2)CC1 ZINC000892595799 591087009 /nfs/dbraw/zinc/08/70/09/591087009.db2.gz KNMWGQTZQXRXHO-INIZCTEOSA-N 2 0 334.464 1.465 20 0 EDADRP COc1cccc([C@H]2C[NH2+]CCN2C(=O)NCc2nccn2C)c1 ZINC000891507617 591099812 /nfs/dbraw/zinc/09/98/12/591099812.db2.gz JJZUYMGTDGWMNW-OAHLLOKOSA-N 2 0 329.404 1.285 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@@H]2CCC[NH+]3C)C1 ZINC000891598414 591142977 /nfs/dbraw/zinc/14/29/77/591142977.db2.gz SWGFFQFKPZNRLU-IKGGRYGDSA-N 2 0 338.496 1.221 20 0 EDADRP C[N@H+](CCCNC(=O)N1C[C@@H]2C[NH+](C)C[C@@H]2C1)Cc1ccccc1 ZINC000891625543 591155840 /nfs/dbraw/zinc/15/58/40/591155840.db2.gz CLTFQRRBXPIQGB-HDICACEKSA-N 2 0 330.476 1.712 20 0 EDADRP CN(C(=O)NC[C@@]1([NH+](C)C)CCSC1)C1(C[NH3+])CCCCC1 ZINC000891638675 591162151 /nfs/dbraw/zinc/16/21/51/591162151.db2.gz NGFQVHCBQYZSFS-INIZCTEOSA-N 2 0 328.526 1.727 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891642853 591164190 /nfs/dbraw/zinc/16/41/90/591164190.db2.gz AALSZADIGDBCBT-LEUOFYLZSA-N 2 0 330.476 1.934 20 0 EDADRP C[C@]1(NC(=O)CC2([NH+]3CCOCC3)CCCC2)C[NH+]2CCC1CC2 ZINC000892780366 591173306 /nfs/dbraw/zinc/17/33/06/591173306.db2.gz GXGQBOMAYBFMFJ-SFHVURJKSA-N 2 0 335.492 1.622 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000891672710 591178264 /nfs/dbraw/zinc/17/82/64/591178264.db2.gz CGACFQPVPZZBGZ-HOTGVXAUSA-N 2 0 338.496 1.319 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)NC[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000892789569 591179298 /nfs/dbraw/zinc/17/92/98/591179298.db2.gz QEVKYTLTVIVEPI-SFHVURJKSA-N 2 0 330.476 1.732 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)N1CC[NH+](CC2CC2)CC1 ZINC000892811953 591189435 /nfs/dbraw/zinc/18/94/35/591189435.db2.gz PWCKKORQXQSKNN-GOSISDBHSA-N 2 0 328.460 1.438 20 0 EDADRP C[C@@H]1CN(C(=O)N2CCc3sc(C[NH3+])nc3C2)CC[N@@H+](C2CC2)C1 ZINC000892878729 591211749 /nfs/dbraw/zinc/21/17/49/591211749.db2.gz DCHQDAOJCGOQDO-LBPRGKRZSA-N 2 0 349.504 1.496 20 0 EDADRP COC(=O)c1c[nH]c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1C1CC1 ZINC000892927500 591227758 /nfs/dbraw/zinc/22/77/58/591227758.db2.gz FVBRGRZZHFQCNO-AWEZNQCLSA-N 2 0 348.491 1.652 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2cnc3onc(C)c3c2)CC1 ZINC000894236531 591240351 /nfs/dbraw/zinc/24/03/51/591240351.db2.gz ARGXXICLFRORDZ-AWEZNQCLSA-N 2 0 331.464 1.894 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000893010882 591254842 /nfs/dbraw/zinc/25/48/42/591254842.db2.gz JOQIPRQORKAPBU-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP C[NH+]1CC[C@H]1CNc1nc(NC[C@H]2CC[N@H+]2C)nc2ccccc21 ZINC000895768300 591268857 /nfs/dbraw/zinc/26/88/57/591268857.db2.gz BPQUVEYWQCNECU-UONOGXRCSA-N 2 0 326.448 1.862 20 0 EDADRP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000895851544 591287703 /nfs/dbraw/zinc/28/77/03/591287703.db2.gz ZFROEKIIBZRGBE-ATZDWAIDSA-N 2 0 343.471 1.659 20 0 EDADRP COC[C@@](C)(CO)[NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2 ZINC000894392666 591300223 /nfs/dbraw/zinc/30/02/23/591300223.db2.gz DAYGSXBKCUVIRH-OAHLLOKOSA-N 2 0 346.374 1.557 20 0 EDADRP C[N@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000894465818 591319996 /nfs/dbraw/zinc/31/99/96/591319996.db2.gz QLUFOCTTYSBFRZ-JKSUJKDBSA-N 2 0 329.460 1.189 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000896023759 591323759 /nfs/dbraw/zinc/32/37/59/591323759.db2.gz LORTZVAVSFUEEI-BJLQDIEVSA-N 2 0 348.535 1.489 20 0 EDADRP C[C@H]1C[N@H+](CCC[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)CCCO1 ZINC000894567628 591347532 /nfs/dbraw/zinc/34/75/32/591347532.db2.gz WWTDWBXDRZDYHY-HNNXBMFYSA-N 2 0 341.496 1.944 20 0 EDADRP CC[NH+]1CCC(n2nccc2NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC000896114109 591348685 /nfs/dbraw/zinc/34/86/85/591348685.db2.gz WPECYYWDUYGMEO-SFHVURJKSA-N 2 0 331.464 1.964 20 0 EDADRP COc1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)c(F)c1OC ZINC000894765935 591414528 /nfs/dbraw/zinc/41/45/28/591414528.db2.gz LCSTWHJTWJCCKJ-UHFFFAOYSA-N 2 0 327.444 1.768 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000897559953 591554043 /nfs/dbraw/zinc/55/40/43/591554043.db2.gz FTRKEUQSGQTIBX-MRXNPFEDSA-N 2 0 340.512 1.167 20 0 EDADRP CC(C)[N@@H+]1CC[C@H](N(C)C(=O)C2CCC([NH+]3CCOCC3)CC2)C1 ZINC000909437825 591569458 /nfs/dbraw/zinc/56/94/58/591569458.db2.gz FQGHNMCQBQCNTQ-ABHNRTSZSA-N 2 0 337.508 1.819 20 0 EDADRP CCO[C@@H](CNC(=O)N1CCC([NH2+]C2CCC2)CC1)C[NH+](C)C ZINC000896684038 591574390 /nfs/dbraw/zinc/57/43/90/591574390.db2.gz XZBLCDRYPLUSKA-INIZCTEOSA-N 2 0 326.485 1.269 20 0 EDADRP CN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000896993721 591703593 /nfs/dbraw/zinc/70/35/93/591703593.db2.gz ROCJKLFQUAMHJP-RTBURBONSA-N 2 0 343.471 1.440 20 0 EDADRP Cn1cc([C@]2(C[NH2+]C3CC[NH+](CC(C)(C)O)CC3)CCCO2)cn1 ZINC000898053232 591756821 /nfs/dbraw/zinc/75/68/21/591756821.db2.gz VQZLDXXNGYCICB-GOSISDBHSA-N 2 0 336.480 1.251 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)C2C[NH+]([C@H]3CCOC3)C2)[C@@H]1c1ccccc1 ZINC000897240678 591782712 /nfs/dbraw/zinc/78/27/12/591782712.db2.gz NPZWDUBDZLECCY-BZSNNMDCSA-N 2 0 329.444 1.269 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)C1CCCCC1 ZINC000900198209 591938497 /nfs/dbraw/zinc/93/84/97/591938497.db2.gz ULFLXQVSMRRZRC-WMZOPIPTSA-N 2 0 325.497 1.460 20 0 EDADRP Cc1ccccc1C[NH+]1CCC(NC(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900245011 591953077 /nfs/dbraw/zinc/95/30/77/591953077.db2.gz GBFANGVTIHFDPS-AZUAARDMSA-N 2 0 345.487 1.531 20 0 EDADRP CC(C)(C[NH2+]C[C@H](O)C1(O)CCOCC1)N1CCc2ccccc2C1 ZINC000899866145 591968949 /nfs/dbraw/zinc/96/89/49/591968949.db2.gz MIGXJPRBZKDUND-SFHVURJKSA-N 2 0 348.487 1.315 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1)c1ccc(F)cc1 ZINC000900285140 591971430 /nfs/dbraw/zinc/97/14/30/591971430.db2.gz IPRZMTRIMGMMKI-WMZOPIPTSA-N 2 0 337.439 1.391 20 0 EDADRP C[NH+](C)C[C@@H]1CN(CN2Cc3ccccc3C2=O)C[C@H]1C[NH+](C)C ZINC000902350280 591985064 /nfs/dbraw/zinc/98/50/64/591985064.db2.gz STHAPGZQBKUICG-IAGOWNOFSA-N 2 0 330.476 1.271 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(NCCn2ccnc2)cc1 ZINC000900371867 591999956 /nfs/dbraw/zinc/99/99/56/591999956.db2.gz JZLRMMHODWFQGZ-KRWDZBQOSA-N 2 0 339.443 1.962 20 0 EDADRP O=c1cc(N2CC[C@H]([NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)nc[nH]1 ZINC000902500295 592003058 /nfs/dbraw/zinc/00/30/58/592003058.db2.gz LBIZXYJFQQJRTG-JYJNAYRXSA-N 2 0 331.464 1.519 20 0 EDADRP CC[C@H](O)[C@@H](C)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000900455021 592022355 /nfs/dbraw/zinc/02/23/55/592022355.db2.gz LYYJQSMGEXRODF-WBVHZDCISA-N 2 0 334.464 1.117 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000900518480 592043653 /nfs/dbraw/zinc/04/36/53/592043653.db2.gz DHCVOMRDSDCZQA-UHFFFAOYSA-N 2 0 325.376 1.278 20 0 EDADRP CC[NH+]1CCC(N(C)C(=O)CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000900519144 592044072 /nfs/dbraw/zinc/04/40/72/592044072.db2.gz UICZAWPLOLMKNV-UHFFFAOYSA-N 2 0 338.540 1.735 20 0 EDADRP [NH2+]=C(NOCCc1noc2ccccc12)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000902806164 592062847 /nfs/dbraw/zinc/06/28/47/592062847.db2.gz MVGFYXLXTSHFIZ-BLLLJJGKSA-N 2 0 330.388 1.732 20 0 EDADRP C[C@H]1[C@@H](NC(=O)Nc2ccccc2N2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000902929538 592086015 /nfs/dbraw/zinc/08/60/15/592086015.db2.gz VKMAGODQCMVBLA-GJZGRUSLSA-N 2 0 331.464 1.653 20 0 EDADRP C[N@@H+]1CCC[C@@](O)(CC(=O)NC[C@@H]2CCC[NH+]2Cc2ccccc2)C1 ZINC000900720945 592104147 /nfs/dbraw/zinc/10/41/47/592104147.db2.gz HUYSWFSGXOJZHX-AZUAARDMSA-N 2 0 345.487 1.614 20 0 EDADRP CC[C@H](C[NH+]1CCCC1)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900730240 592111036 /nfs/dbraw/zinc/11/10/36/592111036.db2.gz DAMSJKBUUTWSKV-GOSISDBHSA-N 2 0 338.540 1.783 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@H]3CCO[C@]34CCOC4)CC2)cc[nH+]1 ZINC000903088512 592117820 /nfs/dbraw/zinc/11/78/20/592117820.db2.gz ZMDYVDJEMFVGDD-OALUTQOASA-N 2 0 346.475 1.131 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+][C@@H]1CCCc3nn(C)cc31)C2 ZINC000903117113 592123576 /nfs/dbraw/zinc/12/35/76/592123576.db2.gz UNQRDVBYOVCOLD-RXABAKJHSA-N 2 0 332.492 1.867 20 0 EDADRP OC1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC[NH+](Cc2ccccc2)CC1 ZINC000903189295 592136148 /nfs/dbraw/zinc/13/61/48/592136148.db2.gz AGWRYHCLMICXDF-UYAOXDASSA-N 2 0 346.471 1.551 20 0 EDADRP C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)c1cccc(-n2ccnc2)c1 ZINC000900883783 592156253 /nfs/dbraw/zinc/15/62/53/592156253.db2.gz SULQLIBHCLLFSJ-QANKJYHBSA-N 2 0 328.416 1.505 20 0 EDADRP C[C@H]([NH2+]Cc1cccc(N(C)S(C)(=O)=O)c1)C1CC[NH+](C)CC1 ZINC000903422229 592170368 /nfs/dbraw/zinc/17/03/68/592170368.db2.gz LKNIUMZFXSWJME-AWEZNQCLSA-N 2 0 339.505 1.902 20 0 EDADRP COC[C@H](C[N@@H+]1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1)C(C)C ZINC000903464827 592171849 /nfs/dbraw/zinc/17/18/49/592171849.db2.gz YCMHRWOBRAVRTE-IRXDYDNUSA-N 2 0 349.523 1.917 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)c1ccc(Cl)cc1 ZINC000900920765 592172251 /nfs/dbraw/zinc/17/22/51/592172251.db2.gz CHFFAVBKEYXPIV-UXLLHSPISA-N 2 0 339.867 1.514 20 0 EDADRP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CCOCCN1C(=O)c2ccccc2C1=O ZINC000903482440 592177115 /nfs/dbraw/zinc/17/71/15/592177115.db2.gz HWQXJFIULDXHIF-HUUCEWRRSA-N 2 0 331.416 1.015 20 0 EDADRP COc1ccccc1OCCN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903505629 592181746 /nfs/dbraw/zinc/18/17/46/592181746.db2.gz FWWIMIWLVZUYNQ-HDICACEKSA-N 2 0 345.487 1.975 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@@H](C(=O)N(C)C)c1ccccc1)C2 ZINC000903493670 592186151 /nfs/dbraw/zinc/18/61/51/592186151.db2.gz ZKMLCFZACYOUBZ-MKSNKDDYSA-N 2 0 345.443 1.028 20 0 EDADRP C[C@@H]1C[N@H+](CC(=O)NCc2ccc(OC(F)F)cc2)C[C@H]1CC[NH3+] ZINC000903496342 592187870 /nfs/dbraw/zinc/18/78/70/592187870.db2.gz KYYVVQIWZPPZNH-TZMCWYRMSA-N 2 0 341.402 1.821 20 0 EDADRP [NH3+]CCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccc2c(c1)CCCO2 ZINC000904350367 592236789 /nfs/dbraw/zinc/23/67/89/592236789.db2.gz JSGWTQSOINGMHD-KRWDZBQOSA-N 2 0 331.460 1.831 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)CC1 ZINC000901103929 592245709 /nfs/dbraw/zinc/24/57/09/592245709.db2.gz ITRGGQSDBLNVFE-ZWKOTPCHSA-N 2 0 336.524 1.345 20 0 EDADRP C[NH+]1CCC(n2ccc(NC(=O)N[C@]34CCC[C@H]3C[NH2+]C4)n2)CC1 ZINC000904457447 592266132 /nfs/dbraw/zinc/26/61/32/592266132.db2.gz PIOWHKAJPCOIQI-GUYCJALGSA-N 2 0 332.452 1.413 20 0 EDADRP C[N@H+](C[C@@H]1CC2(CO1)CC[NH2+]CC2)C[C@@H]1COc2ccccc2O1 ZINC000903718680 592280626 /nfs/dbraw/zinc/28/06/26/592280626.db2.gz QOZRGYSEINEGOS-JKSUJKDBSA-N 2 0 332.444 1.917 20 0 EDADRP O=S(=O)(CC[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccccc1 ZINC000903751035 592295681 /nfs/dbraw/zinc/29/56/81/592295681.db2.gz BQMVITCYVGSYNR-QGZVFWFLSA-N 2 0 337.489 1.892 20 0 EDADRP c1cc(CN2CC[NH+](C[C@H]3CC4(CO3)CC[NH2+]CC4)CC2)ccn1 ZINC000903753592 592297050 /nfs/dbraw/zinc/29/70/50/592297050.db2.gz WVGKDRJTHUTMFE-GOSISDBHSA-N 2 0 330.476 1.358 20 0 EDADRP CCO[C@@H](C)c1noc(CN(C)C[C@H]2CC3(CO2)CC[NH2+]CC3)n1 ZINC000903735177 592297534 /nfs/dbraw/zinc/29/75/34/592297534.db2.gz YJDZUNKNQJUXQI-UONOGXRCSA-N 2 0 338.452 1.758 20 0 EDADRP [NH3+]Cc1ccc2nc(-c3nc([C@@H]4C[N@@H+]5CCC[C@H]5CO4)no3)cn2c1 ZINC000904636213 592299645 /nfs/dbraw/zinc/29/96/45/592299645.db2.gz BAYCNGHRODSXRO-JSGCOSHPSA-N 2 0 340.387 1.379 20 0 EDADRP C([C@H]1C[C@]2(CC[NH2+]C2)CO1)[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000903740599 592302906 /nfs/dbraw/zinc/30/29/06/592302906.db2.gz XSQRRRBVWLEQBQ-DAYGRLMNSA-N 2 0 331.464 1.172 20 0 EDADRP C[C@@H]1C[NH2+]C[C@H]1Cc1nc(-c2cc(N3CC[NH+](C)CC3)ccn2)no1 ZINC000904672078 592309383 /nfs/dbraw/zinc/30/93/83/592309383.db2.gz LQNLAZJFDVIFSK-ZIAGYGMSSA-N 2 0 342.447 1.281 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C[C@@H]2CC3(CO2)CC[NH2+]CC3)CCO1 ZINC000903767053 592310123 /nfs/dbraw/zinc/31/01/23/592310123.db2.gz SODKXNKEMUPLAV-SJORKVTESA-N 2 0 325.497 1.188 20 0 EDADRP O=C(N1CCN(c2cc[nH+]c3ccccc32)CC1)C12CC[NH+](CC1)C2 ZINC000908114776 592328037 /nfs/dbraw/zinc/32/80/37/592328037.db2.gz KDIYJZHBJVBTQT-UHFFFAOYSA-N 2 0 336.439 1.979 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cnn1C ZINC000903886564 592364460 /nfs/dbraw/zinc/36/44/60/592364460.db2.gz QVBABAGTHZSSBR-GOSISDBHSA-N 3 0 335.540 1.898 20 0 EDADRP COC(=O)CC1([NH2+]C[C@@H](C[NH3+])Cc2cnn(C)c2C)CCCCC1 ZINC000903899968 592370316 /nfs/dbraw/zinc/37/03/16/592370316.db2.gz XENMVNKGQKHUBM-OAHLLOKOSA-N 2 0 336.480 1.702 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)cnn1C ZINC000903905819 592373169 /nfs/dbraw/zinc/37/31/69/592373169.db2.gz ONHNKBXXRQTWSR-AYOQOUSVSA-N 2 0 327.476 1.273 20 0 EDADRP Cn1ccnc1[C@@H]1CCC[N@H+](Cc2cnnn2[C@H]2CCC[NH2+]C2)C1 ZINC000903912270 592374831 /nfs/dbraw/zinc/37/48/31/592374831.db2.gz CJMGPNFTAQGAFH-CABCVRRESA-N 2 0 329.452 1.316 20 0 EDADRP c1cnn(-c2ccccc2C[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)c1 ZINC000903919293 592377241 /nfs/dbraw/zinc/37/72/41/592377241.db2.gz CJLNKZNRUSEPQM-MRXNPFEDSA-N 2 0 337.431 1.678 20 0 EDADRP Cc1cc(N2CC[C@@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)C2=O)n(C)n1 ZINC000903923513 592377945 /nfs/dbraw/zinc/37/79/45/592377945.db2.gz VYRUUFLBRJTYMR-QGZVFWFLSA-N 2 0 339.443 1.269 20 0 EDADRP COc1cc(CC[NH2+]Cc2cnnn2[C@@H]2CCC[NH2+]C2)ccc1C ZINC000903924245 592380053 /nfs/dbraw/zinc/38/00/53/592380053.db2.gz AHOIAGHLPAXOGQ-MRXNPFEDSA-N 2 0 329.448 1.852 20 0 EDADRP CN(C)[C@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926334 592381292 /nfs/dbraw/zinc/38/12/92/592381292.db2.gz KVILZDBRNPTAHB-SJLPKXTDSA-N 2 0 328.464 1.595 20 0 EDADRP [NH3+]C1CCN(Cc2cn([C@@H]3CC[N@H+](Cc4ccccc4)C3)nn2)CC1 ZINC000905057877 592394505 /nfs/dbraw/zinc/39/45/05/592394505.db2.gz ZSDHRHVHBXVLGT-LJQANCHMSA-N 2 0 340.475 1.648 20 0 EDADRP C[NH+](C)CCOc1ccc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)cc1 ZINC000903974614 592398892 /nfs/dbraw/zinc/39/88/92/592398892.db2.gz RXHGTXHEDNKKIY-SFHVURJKSA-N 2 0 347.503 1.875 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)C1(O)CCOCC1 ZINC000905073456 592403413 /nfs/dbraw/zinc/40/34/13/592403413.db2.gz WRUGZTZWCBLINL-MOPGFXCFSA-N 2 0 348.487 1.391 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]C[C@@H](O)CC2(CO)CCCC2)CC1 ZINC000905113111 592412644 /nfs/dbraw/zinc/41/26/44/592412644.db2.gz XWBFSGPYUPCFOG-MSOLQXFVSA-N 2 0 341.540 1.153 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1(O)CCCC1 ZINC000905115114 592413403 /nfs/dbraw/zinc/41/34/03/592413403.db2.gz YYHFKEKLNXHFAR-LJQANCHMSA-N 2 0 348.487 1.399 20 0 EDADRP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2(O)CCOCC2)CN1Cc1ccccc1 ZINC000905160832 592424630 /nfs/dbraw/zinc/42/46/30/592424630.db2.gz SXHVFYRWMFGMML-NJAFHUGGSA-N 2 0 334.460 1.141 20 0 EDADRP CSC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC[NH+](C)CC1 ZINC000908286682 592425836 /nfs/dbraw/zinc/42/58/36/592425836.db2.gz YHSQDWUMEOOMHD-LSDHHAIUSA-N 2 0 325.522 1.947 20 0 EDADRP O[C@H](C[C@H](O)C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccccc1 ZINC000905127589 592428051 /nfs/dbraw/zinc/42/80/51/592428051.db2.gz LTILHTSPGZHUQL-LSTHTHJFSA-N 2 0 348.487 1.562 20 0 EDADRP C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CC[N@@H+](C2CCC2)C1 ZINC000908359214 592463929 /nfs/dbraw/zinc/46/39/29/592463929.db2.gz SFMVTFOQVHLYMC-HNNXBMFYSA-N 2 0 335.492 1.430 20 0 EDADRP [NH3+]Cc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000904302441 592472232 /nfs/dbraw/zinc/47/22/32/592472232.db2.gz WILVLBOESBRMTH-ROUUACIJSA-N 3 0 330.476 1.226 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC[C@@H](O)C1(O)CCC1 ZINC000905323218 592497536 /nfs/dbraw/zinc/49/75/36/592497536.db2.gz DCFYJJRHGDOAJF-GOSISDBHSA-N 2 0 349.475 1.525 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000905473884 592536472 /nfs/dbraw/zinc/53/64/72/592536472.db2.gz PKSPURBHDMOTCG-AWEZNQCLSA-N 2 0 346.302 1.734 20 0 EDADRP CN1CC[N@H+](C)CC(C(=O)N[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C1 ZINC000907152022 592538545 /nfs/dbraw/zinc/53/85/45/592538545.db2.gz XLORPXURWHGKJM-MSOLQXFVSA-N 2 0 330.476 1.041 20 0 EDADRP CC(C)[NH2+]C1(CO)CCN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000908605898 592551381 /nfs/dbraw/zinc/55/13/81/592551381.db2.gz BNDMRYGJRGKPJC-GOSISDBHSA-N 2 0 343.487 1.550 20 0 EDADRP CC[C@](O)(C[NH2+][C@@H]1C[C@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O)C(F)(F)F ZINC000905495923 592553616 /nfs/dbraw/zinc/55/36/16/592553616.db2.gz OAUPTNXLCTUMHS-RYPNDVFKSA-N 2 0 338.414 1.759 20 0 EDADRP CC1([NH+]2CCCC2)CCC([NH2+]C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000905534455 592554589 /nfs/dbraw/zinc/55/45/89/592554589.db2.gz QGDVIHCBKXJRNB-AQFXKWCLSA-N 2 0 326.481 1.276 20 0 EDADRP Cc1[nH+]c2c(n1[C@H]1CCN(C(=O)C34CC[NH+](CC3)C4)C1)CCCC2 ZINC000907553837 592704790 /nfs/dbraw/zinc/70/47/90/592704790.db2.gz INMLHOJLYPQAPA-HNNXBMFYSA-N 2 0 328.460 1.940 20 0 EDADRP Cc1[nH+]c2c(n1[C@@H]1CCN(C(=O)[C@]3(C)C[C@@H](O)C[N@H+]3C)C1)CCCC2 ZINC000907553847 592704820 /nfs/dbraw/zinc/70/48/20/592704820.db2.gz IYJBHAITWXWVLK-CLCXKQKWSA-N 2 0 346.475 1.299 20 0 EDADRP Cc1cc(C)c(C(=O)NCC2(N3CCOCC3)CCOCC2)c(C)n1 ZINC000909877650 592705243 /nfs/dbraw/zinc/70/52/43/592705243.db2.gz DLMXNSSGSHNZLX-UHFFFAOYSA-N 2 0 347.459 1.618 20 0 EDADRP C[N@@H+](Cc1cccnc1)C[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907569916 592714531 /nfs/dbraw/zinc/71/45/31/592714531.db2.gz GKTRXXWADVTTSH-KRWDZBQOSA-N 2 0 328.460 1.458 20 0 EDADRP CO[C@H]1CCN(Cc2nc(C(=O)N3CCC[C@H]([NH+](C)C)C3)co2)C1 ZINC000906530244 592845159 /nfs/dbraw/zinc/84/51/59/592845159.db2.gz XPCXLEZUOVSPAV-KBPBESRZSA-N 2 0 336.436 1.062 20 0 EDADRP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N1CCC([NH+]2CCCOCC2)CC1 ZINC000910366813 592845292 /nfs/dbraw/zinc/84/52/92/592845292.db2.gz UHOCCTHORDDLII-ZWKOTPCHSA-N 2 0 335.492 1.717 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccn1CCN1CCOCC1 ZINC000906644418 592865506 /nfs/dbraw/zinc/86/55/06/592865506.db2.gz NOTANYMNJUHKJG-QGZVFWFLSA-N 2 0 348.491 1.425 20 0 EDADRP CC(C)[N@H+](CCO)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC000910873040 592899058 /nfs/dbraw/zinc/89/90/58/592899058.db2.gz GKHBDQQGASPGSC-UHFFFAOYSA-N 2 0 325.497 1.412 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)[C@@H](C)CN1CCO ZINC000910931673 592901964 /nfs/dbraw/zinc/90/19/64/592901964.db2.gz QJFYPWLEYVKKPD-CABCVRRESA-N 2 0 344.459 1.818 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC2CCC([NH+](C)C)CC2)CC1 ZINC000911191095 592946249 /nfs/dbraw/zinc/94/62/49/592946249.db2.gz YQTAVCOETIRMTN-UHFFFAOYSA-N 2 0 338.540 1.782 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@@H]1[NH2+]CC[C@H]2CCCC[C@@H]21 ZINC000911734487 592992287 /nfs/dbraw/zinc/99/22/87/592992287.db2.gz CJOWRYIQKPWRTD-UWWQBHOKSA-N 2 0 343.475 1.598 20 0 EDADRP N[C@H](CC(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)C(F)F ZINC000911734682 592992503 /nfs/dbraw/zinc/99/25/03/592992503.db2.gz AHDQGPZPXYXUKX-CYBMUJFWSA-N 2 0 341.358 1.516 20 0 EDADRP C[NH+](C)CCOc1ccc(CCC(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000911801912 593013258 /nfs/dbraw/zinc/01/32/58/593013258.db2.gz GWTFRFVOOPZWGV-IBGZPJMESA-N 2 0 333.476 1.803 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F ZINC000911866651 593024449 /nfs/dbraw/zinc/02/44/49/593024449.db2.gz AFOXHJYMROHTOD-VXGBXAGGSA-N 2 0 329.366 1.574 20 0 EDADRP CC[C@@H](C(=O)N1CCO[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000911892343 593032170 /nfs/dbraw/zinc/03/21/70/593032170.db2.gz KBMASEZRIVDDJA-OTWHNJEPSA-N 2 0 345.487 1.829 20 0 EDADRP C[N@@H+]1CCC[C@](O)(CC(=O)N[C@]2(C)CC[NH+](Cc3ccccc3)C2)C1 ZINC000911913447 593036237 /nfs/dbraw/zinc/03/62/37/593036237.db2.gz CLLIBIXZGBSAGY-UXHICEINSA-N 2 0 345.487 1.614 20 0 EDADRP C[N@H+](CCC(=O)N(CCO)C1CC[NH+](C)CC1)C1CCCCC1 ZINC000911941874 593036710 /nfs/dbraw/zinc/03/67/10/593036710.db2.gz WNYBAFYCPUNIJF-UHFFFAOYSA-N 2 0 325.497 1.556 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)N2CCCCC2)CC[NH2+]CC1 ZINC000817913554 593648151 /nfs/dbraw/zinc/64/81/51/593648151.db2.gz JDYKQHIYKIVKKQ-JKSUJKDBSA-N 2 0 325.497 1.772 20 0 EDADRP C[C@H]([NH2+]C1CCN(CC(=O)N(C)C)CC1)c1cccc(C[NH+](C)C)c1 ZINC000820809605 593895148 /nfs/dbraw/zinc/89/51/48/593895148.db2.gz DSWZKQKSKUZFGL-INIZCTEOSA-N 2 0 346.519 1.951 20 0 EDADRP O=C(N[C@@H]1CCC[N@@H+](CCCO)C1)c1ccc(C[NH+]2CCCCC2)o1 ZINC000821052691 593954683 /nfs/dbraw/zinc/95/46/83/593954683.db2.gz PCMIRXJXMNONOO-MRXNPFEDSA-N 2 0 349.475 1.842 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C[NH+](C)C ZINC000825147130 594136171 /nfs/dbraw/zinc/13/61/71/594136171.db2.gz KBBPBGYUKXYLNQ-HZPDHXFCSA-N 3 0 326.529 1.162 20 0 EDADRP CN(C)c1ccc(N2CCC(NC(=O)C3([NH+](C)C)CC3)CC2)cc1 ZINC000828768452 594499250 /nfs/dbraw/zinc/49/92/50/594499250.db2.gz PUOXQSYWJSMODS-UHFFFAOYSA-N 2 0 330.476 1.932 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)CC[C@H]21 ZINC000827256764 594656750 /nfs/dbraw/zinc/65/67/50/594656750.db2.gz XRAUMOXUOMMOLE-BRWVUGGUSA-N 2 0 337.533 1.757 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340357 594662664 /nfs/dbraw/zinc/66/26/64/594662664.db2.gz ZJCPETOCEFRRJD-QYZOEREBSA-N 2 0 342.487 1.846 20 0 EDADRP CC(C)[C@H]1CN(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC[N@@H+]1C ZINC000827491056 594677104 /nfs/dbraw/zinc/67/71/04/594677104.db2.gz KUMXUCSLPSVGFY-KZNAEPCWSA-N 2 0 347.507 1.254 20 0 EDADRP Cn1nc(C(F)(F)F)c(C[NH2+]CCN2CC[NH2+]CC2)c1Cl ZINC000841045505 594843843 /nfs/dbraw/zinc/84/38/43/594843843.db2.gz XHBNJRXJXKRPPY-UHFFFAOYSA-N 2 0 325.766 1.087 20 0 EDADRP CN1CCN(C(=O)Nc2cc(N3CCCC3=O)ccc2F)[C@@H](C[NH3+])C1 ZINC000841068304 594846910 /nfs/dbraw/zinc/84/69/10/594846910.db2.gz YSDNWRTZBDSJFJ-ZDUSSCGKSA-N 2 0 349.410 1.059 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)N[C@@H]2CCC[NH+](CCCO)C2)C1 ZINC000833574380 594877667 /nfs/dbraw/zinc/87/76/67/594877667.db2.gz CUCDQMKLQPNXAZ-PBHICJAKSA-N 2 0 329.460 1.162 20 0 EDADRP [NH3+]CCOc1ccc(NC(=O)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000841323909 594884839 /nfs/dbraw/zinc/88/48/39/594884839.db2.gz DKDFEDQEIUSCGG-ZBFHGGJFSA-N 2 0 334.420 1.009 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000841847058 594964483 /nfs/dbraw/zinc/96/44/83/594964483.db2.gz QSLUKIOLKSQTDO-HUUCEWRRSA-N 2 0 345.443 1.924 20 0 EDADRP [NH3+]CCc1ccc(CNC(=O)NC[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000841931325 594984387 /nfs/dbraw/zinc/98/43/87/594984387.db2.gz RZSNAXGDEBHWMS-IBGZPJMESA-N 2 0 338.455 1.874 20 0 EDADRP COc1cc(-c2noc(CC(C)(C)[NH3+])n2)ccc1OCC[NH+](C)C ZINC000843201460 595032037 /nfs/dbraw/zinc/03/20/37/595032037.db2.gz VYKFOVXCYKYGCR-UHFFFAOYSA-N 2 0 334.420 1.965 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C(C)C ZINC000846141236 595155301 /nfs/dbraw/zinc/15/53/01/595155301.db2.gz GSNQEEKSNSMICW-ULQDDVLXSA-N 2 0 340.512 1.645 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000843073641 595281182 /nfs/dbraw/zinc/28/11/82/595281182.db2.gz SDHWBLVJPNWEPC-BBRMVZONSA-N 2 0 328.403 1.825 20 0 EDADRP O=C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1[NH2+]CCc2ccccc21 ZINC000844169691 595289678 /nfs/dbraw/zinc/28/96/78/595289678.db2.gz BTCARMXAZFGKJZ-PKOBYXMFSA-N 2 0 343.471 1.633 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843125926 595293143 /nfs/dbraw/zinc/29/31/43/595293143.db2.gz CQGXDDARQLDTHB-DLBZAZTESA-N 2 0 331.460 1.762 20 0 EDADRP CC[NH2+]CC(=O)N[C@@H](C)c1cc(F)ccc1N1CC[NH+](CC)CC1 ZINC000844190139 595298024 /nfs/dbraw/zinc/29/80/24/595298024.db2.gz BJBDNKYXSBSFMZ-AWEZNQCLSA-N 2 0 336.455 1.754 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)NCCc1ccc(N2CCCCC2)cc1 ZINC000846673534 595298138 /nfs/dbraw/zinc/29/81/38/595298138.db2.gz VKAUEJRDHQRSQS-GOSISDBHSA-N 2 0 332.492 1.615 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000848024182 595306031 /nfs/dbraw/zinc/30/60/31/595306031.db2.gz FPJPBMNQVPTOCX-RHSMWYFYSA-N 2 0 331.476 1.408 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](Cc4ccccc4)C3)C[C@@H]2C1 ZINC000848102928 595318699 /nfs/dbraw/zinc/31/86/99/595318699.db2.gz DEBYLGXXANBEMC-QYZOEREBSA-N 2 0 327.472 1.919 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920132 595337407 /nfs/dbraw/zinc/33/74/07/595337407.db2.gz UNJPABWHZNDEDD-QZTJIDSGSA-N 2 0 339.480 1.386 20 0 EDADRP CO[C@H]1CCN(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2=O)C1 ZINC000844695255 595375504 /nfs/dbraw/zinc/37/55/04/595375504.db2.gz UYWBXECHMHWAJU-FHWLQOOXSA-N 2 0 343.471 1.645 20 0 EDADRP c1nn(CN2CCC(C[NH+]3CCOCC3)CC2)cc1-c1ccncn1 ZINC000848475446 595388328 /nfs/dbraw/zinc/38/83/28/595388328.db2.gz RDSYYVRBRPKUAM-UHFFFAOYSA-N 2 0 342.447 1.342 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NC[C@H](O)COc1cccc(C)c1 ZINC000849068163 595477357 /nfs/dbraw/zinc/47/73/57/595477357.db2.gz LRAYWZZBHCXSIQ-HOTGVXAUSA-N 2 0 334.464 1.333 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])NCC[C@H]1COc2ccccc2O1 ZINC000849096567 595481464 /nfs/dbraw/zinc/48/14/64/595481464.db2.gz VSNYQHYBFRIECQ-GJZGRUSLSA-N 2 0 332.448 1.815 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCc1ncn(-c2ccccc2)n1 ZINC000849112694 595483873 /nfs/dbraw/zinc/48/38/73/595483873.db2.gz BZBAQDICPACDDT-OAHLLOKOSA-N 2 0 327.436 1.366 20 0 EDADRP CCN(CC)C(=[NH2+])NCc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000849117429 595484784 /nfs/dbraw/zinc/48/47/84/595484784.db2.gz FFFKKHPELMCNJU-UHFFFAOYSA-N 2 0 345.491 1.750 20 0 EDADRP Cn1cc([C@@H]2C[N@H+](C)CC[C@H]2C(=O)NCC2([NH+](C)C)CCCC2)cn1 ZINC000849502420 595552838 /nfs/dbraw/zinc/55/28/38/595552838.db2.gz QJKYFDYQEAGHIM-SJORKVTESA-N 2 0 347.507 1.446 20 0 EDADRP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1)[NH+]1CCCCC1 ZINC000849504912 595553040 /nfs/dbraw/zinc/55/30/40/595553040.db2.gz GNNHANIEWKXOAT-NJAFHUGGSA-N 2 0 347.507 1.446 20 0 EDADRP CCN(C(=O)C1=NO[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000852861331 595581954 /nfs/dbraw/zinc/58/19/54/595581954.db2.gz BULBSUHGZAKZHE-OIISXLGYSA-N 2 0 344.459 1.774 20 0 EDADRP C[NH+](C)CCn1c(=O)oc2ccc(NC(=O)C=C3CC[NH2+]CC3)cc21 ZINC000852864186 595584965 /nfs/dbraw/zinc/58/49/65/595584965.db2.gz YTFTVHFBWBTTNS-UHFFFAOYSA-N 2 0 344.415 1.404 20 0 EDADRP C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849597252 595586197 /nfs/dbraw/zinc/58/61/97/595586197.db2.gz RQVFSHNTLAEKNR-BSWAZPDLSA-N 2 0 333.480 1.006 20 0 EDADRP CC[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000849597234 595586551 /nfs/dbraw/zinc/58/65/51/595586551.db2.gz RJXTUILHFOPUCB-IXDOHACOSA-N 2 0 333.480 1.008 20 0 EDADRP C[C@@H]1CN(C(=O)[C@H]2CC[NH+](C)C[C@H]2c2cnn(C)c2)C[C@H](C)[N@H+]1C ZINC000849598442 595587685 /nfs/dbraw/zinc/58/76/85/595587685.db2.gz ZMRGEFJKOSJEGC-FSDCSDTHSA-N 2 0 333.480 1.006 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2cn([C@H]3CCC[NH2+]CC3)nn2)C1 ZINC000852871593 595590181 /nfs/dbraw/zinc/59/01/81/595590181.db2.gz UANINZMFLWBUDL-SOUVJXGZSA-N 2 0 334.468 1.195 20 0 EDADRP C[N@H+](CCCO)C1CCN(C[C@@H](O)c2ccc(F)c(F)c2)CC1 ZINC000115549525 595598063 /nfs/dbraw/zinc/59/80/63/595598063.db2.gz CFZDONSVDGPFRE-QGZVFWFLSA-N 2 0 328.403 1.777 20 0 EDADRP CC[C@H]1CN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000852890681 595601128 /nfs/dbraw/zinc/60/11/28/595601128.db2.gz UYFOYLFUOVAOSO-JKSUJKDBSA-N 2 0 330.432 1.213 20 0 EDADRP [NH3+]CCCCCC(=O)N1CCC[C@@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852929664 595618832 /nfs/dbraw/zinc/61/88/32/595618832.db2.gz APLQTLCOGJFIDW-OAHLLOKOSA-N 2 0 348.495 1.044 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000858097789 595699236 /nfs/dbraw/zinc/69/92/36/595699236.db2.gz ZKSSWPOWJRKUKV-HNNXBMFYSA-N 2 0 331.526 1.653 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000851671987 595879388 /nfs/dbraw/zinc/87/93/88/595879388.db2.gz URMUPVAYMSWTOX-QWFCFKBJSA-N 2 0 342.487 1.917 20 0 EDADRP CO[C@@H]1C[N@H+](C)[C@](C)(COC(=O)[C@]2(F)CC[NH+](C(C)(C)C)C2)C1 ZINC000861354041 595959187 /nfs/dbraw/zinc/95/91/87/595959187.db2.gz SAKUDRHQAJVNOY-JQFCIGGWSA-N 2 0 330.444 1.851 20 0 EDADRP NC(=O)Cc1cccc2c1CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000866684294 596293204 /nfs/dbraw/zinc/29/32/04/596293204.db2.gz LBIZMWYFYURJSQ-UHFFFAOYSA-N 2 0 335.451 1.918 20 0 EDADRP [NH3+]CCCN(CCC[NH3+])S(=O)(=O)c1ccc2c3c(cccc31)CC2 ZINC000866768950 596332680 /nfs/dbraw/zinc/33/26/80/596332680.db2.gz HGHNZHJESXEXLJ-UHFFFAOYSA-N 2 0 347.484 1.627 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000870881578 596388173 /nfs/dbraw/zinc/38/81/73/596388173.db2.gz AFDSFBABKALMME-QAQDUYKDSA-N 2 0 333.476 1.803 20 0 EDADRP C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)C1 ZINC000870935803 596412048 /nfs/dbraw/zinc/41/20/48/596412048.db2.gz SZRVWVQVWCSYJV-GWCFXTLKSA-N 2 0 326.238 1.517 20 0 EDADRP COc1ccc(C[N@@H+]2CCCN(C(=O)CN(C)C[C@H](C)[NH3+])CC2)cc1 ZINC000863569339 596621317 /nfs/dbraw/zinc/62/13/17/596621317.db2.gz VNYVKOPPFBIEPL-INIZCTEOSA-N 2 0 348.491 1.009 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000869763014 596621893 /nfs/dbraw/zinc/62/18/93/596621893.db2.gz NRMFKOSLUWOODC-UHFFFAOYSA-N 2 0 348.491 1.574 20 0 EDADRP [NH3+][C@@H](C(=O)NCCC1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000867984075 596644624 /nfs/dbraw/zinc/64/46/24/596644624.db2.gz SRPJNKBCWLLFAT-CQSZACIVSA-N 2 0 340.265 1.955 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(C)(C)c2cccnc2)C[C@H]1C[NH+](C)C ZINC000870022477 596712481 /nfs/dbraw/zinc/71/24/81/596712481.db2.gz TWEKSZGRRKPEGY-HZPDHXFCSA-N 2 0 332.492 1.557 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)C(F)(F)c2ccccc2)C[C@H]1C[NH+](C)C ZINC000870023216 596713073 /nfs/dbraw/zinc/71/30/73/596713073.db2.gz OFNNQDOSHUCERO-HUUCEWRRSA-N 2 0 339.430 1.976 20 0 EDADRP CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000863921190 596716888 /nfs/dbraw/zinc/71/68/88/596716888.db2.gz XECXVLKRAGOVLD-HKUYNNGSSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000868295353 596772993 /nfs/dbraw/zinc/77/29/93/596772993.db2.gz JNHBBHMGSKXHDD-UHFFFAOYSA-N 2 0 346.475 1.711 20 0 EDADRP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000868312049 596784005 /nfs/dbraw/zinc/78/40/05/596784005.db2.gz JPQAWTUNDNIRCA-SFHVURJKSA-N 2 0 343.431 1.496 20 0 EDADRP C[C@@H](CNC(=O)N1CCN(C)c2ncccc2C1)C[NH+]1CCCC1 ZINC000868358332 596800183 /nfs/dbraw/zinc/80/01/83/596800183.db2.gz PNJVDCBZPXPRBK-HNNXBMFYSA-N 2 0 331.464 1.775 20 0 EDADRP C[C@H]1CCCC[C@@H]1NC(=O)NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155246 596816105 /nfs/dbraw/zinc/81/61/05/596816105.db2.gz PATOGHYZLZNYGK-GJZGRUSLSA-N 2 0 326.485 1.842 20 0 EDADRP CC1(C)CC[NH2+]CCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000872296786 596872675 /nfs/dbraw/zinc/87/26/75/596872675.db2.gz ANSWBRVORBWCHD-UHFFFAOYSA-N 2 0 345.491 1.194 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2)CC1 ZINC000874041911 596905688 /nfs/dbraw/zinc/90/56/88/596905688.db2.gz MDEZQAPWYSAOMO-UHFFFAOYSA-N 2 0 330.476 1.146 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCC[C@H]2F)C[C@H]1C[NH+](C)C ZINC000875669238 596940662 /nfs/dbraw/zinc/94/06/62/596940662.db2.gz UBJQWMPTZHMCOJ-KLHDSHLOSA-N 2 0 328.476 1.648 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3[C@@H](CC[N@@H+]3C)C2)c1 ZINC000874170428 596950286 /nfs/dbraw/zinc/95/02/86/596950286.db2.gz MBGSACKLAFMNCB-DOTOQJQBSA-N 2 0 344.459 1.239 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCC[C@@H]2CCSC2)C[C@H]1C[NH+](C)C ZINC000875934420 597039816 /nfs/dbraw/zinc/03/98/16/597039816.db2.gz CKLOLNMYTNQNAX-BZUAXINKSA-N 2 0 342.553 1.510 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NCCC(C)(C)OC ZINC000876079309 597082024 /nfs/dbraw/zinc/08/20/24/597082024.db2.gz KTVKRHKCISANMV-INIZCTEOSA-N 2 0 342.528 1.859 20 0 EDADRP Cc1nn(C)c(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1Cl ZINC000888644272 597104624 /nfs/dbraw/zinc/10/46/24/597104624.db2.gz DOVDJPOKQCFLKJ-UHFFFAOYSA-N 2 0 330.864 1.339 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000876520353 597228564 /nfs/dbraw/zinc/22/85/64/597228564.db2.gz JTGKZTPCFBZTCG-CYBMUJFWSA-N 2 0 329.400 1.581 20 0 EDADRP COC(=O)c1cn([C@@H]2CC[N@H+](Cc3cc4c(s3)CC[NH2+]C4)C2)nn1 ZINC000873210710 597229149 /nfs/dbraw/zinc/22/91/49/597229149.db2.gz PCUXCLDVSBLWRN-GFCCVEGCSA-N 2 0 347.444 1.219 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000876532080 597231458 /nfs/dbraw/zinc/23/14/58/597231458.db2.gz BEFDTVOXPZTYLJ-CVEARBPZSA-N 2 0 333.480 1.753 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)[C@@H]2C[NH2+]C[C@H]2c2ccc(Cl)cc2)CCO1 ZINC000876543312 597234168 /nfs/dbraw/zinc/23/41/68/597234168.db2.gz KCPHKYJQTZPMDY-DANNLKNASA-N 2 0 337.851 1.218 20 0 EDADRP Cn1cc2c(n1)CCC[C@H]2[NH2+]Cc1cccc(-n2cc(C[NH3+])nn2)c1 ZINC000873242384 597237015 /nfs/dbraw/zinc/23/70/15/597237015.db2.gz AYDNEQYPICNDJH-QGZVFWFLSA-N 2 0 337.431 1.627 20 0 EDADRP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(CN2CCNC2=O)cc1 ZINC000873262833 597242592 /nfs/dbraw/zinc/24/25/92/597242592.db2.gz PZSOAICXQCTNRX-XKQJLSEDSA-N 2 0 332.448 1.054 20 0 EDADRP CNS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)C2CC[NH2+]CC2)cc1 ZINC000873269884 597243633 /nfs/dbraw/zinc/24/36/33/597243633.db2.gz LSXVLVNZBNCBQH-STQMWFEESA-N 2 0 325.478 1.633 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000875134610 597296406 /nfs/dbraw/zinc/29/64/06/597296406.db2.gz YATBCQIUUBRYSM-FHWLQOOXSA-N 2 0 344.503 1.895 20 0 EDADRP O=C(/C=C\[C@H]1CCC[NH2+]C1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000876716263 597301863 /nfs/dbraw/zinc/30/18/63/597301863.db2.gz WCELPIRZLDOWSG-OLHLWXQYSA-N 2 0 327.472 1.929 20 0 EDADRP O=C(NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876735900 597312815 /nfs/dbraw/zinc/31/28/15/597312815.db2.gz RJPNRAGEYQIBSH-RCCFBDPRSA-N 2 0 333.451 1.962 20 0 EDADRP CCN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000876737693 597315073 /nfs/dbraw/zinc/31/50/73/597315073.db2.gz VUHTZOIDDIIPQT-NJAFHUGGSA-N 2 0 332.492 1.559 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)/C=C/[C@H]3CCC[NH2+]C3)CC2)CC1 ZINC000876742777 597317265 /nfs/dbraw/zinc/31/72/65/597317265.db2.gz TUFWKZPLOXQVTM-DWTRPJMMSA-N 2 0 334.508 1.217 20 0 EDADRP O=C(NCc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876765244 597329793 /nfs/dbraw/zinc/32/97/93/597329793.db2.gz SGFRXVJBMOIPJM-AEFFLSMTSA-N 2 0 349.450 1.725 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)/C=C\[C@@H]2CCC[NH2+]C2)[C@@H](C)C1 ZINC000876765900 597330592 /nfs/dbraw/zinc/33/05/92/597330592.db2.gz WMKJDVDOPZLHGA-QJFPOAGESA-N 2 0 337.508 1.795 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)[C@]3(C)C[C@H](OC)C[NH2+]3)cc2)CC1 ZINC000876779455 597337868 /nfs/dbraw/zinc/33/78/68/597337868.db2.gz FUVGJZUTAAHSQF-HKUYNNGSSA-N 2 0 346.475 1.534 20 0 EDADRP C[NH2+]CCN(C)C(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000876792598 597342186 /nfs/dbraw/zinc/34/21/86/597342186.db2.gz SRYDSUWCKJPEIZ-MJGOQNOKSA-N 2 0 331.460 1.203 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876876404 597365339 /nfs/dbraw/zinc/36/53/39/597365339.db2.gz DTWBUPYYHBRKJN-GOEBONIOSA-N 2 0 325.403 1.664 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)[C@]34CCC[C@H]3[NH2+]CC4)CC2)CC1 ZINC000876877654 597366517 /nfs/dbraw/zinc/36/65/17/597366517.db2.gz YXJLIDLTCBYORM-MJGOQNOKSA-N 2 0 334.508 1.005 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H]([NH3+])C1 ZINC000876925932 597386787 /nfs/dbraw/zinc/38/67/87/597386787.db2.gz IIUHHXVFUBCHIQ-BCQYTGIQSA-N 2 0 331.435 1.881 20 0 EDADRP CC(C)(C)OC(=O)N[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C1(C)C ZINC000876966862 597400873 /nfs/dbraw/zinc/40/08/73/597400873.db2.gz XUNVBBOLAARGOX-QLFBSQMISA-N 2 0 341.496 1.725 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H]2CCCS2)C[C@H]1C[NH+](C)C ZINC000875365778 597401772 /nfs/dbraw/zinc/40/17/72/597401772.db2.gz AUGHRSWXZJUIAL-RBSFLKMASA-N 2 0 328.526 1.263 20 0 EDADRP CN(C(=O)[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000876971497 597402131 /nfs/dbraw/zinc/40/21/31/597402131.db2.gz IVQPZRKKPUAAIJ-SCTDSRPQSA-N 2 0 334.508 1.146 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)/C=C/[C@@H]2CCC[NH2+]C2)CC1 ZINC000877080299 597427398 /nfs/dbraw/zinc/42/73/98/597427398.db2.gz ARLIEQKRNKKISP-RTRPANQVSA-N 2 0 335.492 1.646 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000877081381 597427801 /nfs/dbraw/zinc/42/78/01/597427801.db2.gz NFEOEGHXIFKSPE-APWZRJJASA-N 2 0 335.492 1.622 20 0 EDADRP C[C@@H](CNC(=O)OC(C)(C)C)C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000877113405 597435797 /nfs/dbraw/zinc/43/57/97/597435797.db2.gz JVQTXNUMMNWAPE-CQSZACIVSA-N 2 0 343.512 1.972 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)c1cccn(C2CC2)c1=O ZINC000877198980 597459393 /nfs/dbraw/zinc/45/93/93/597459393.db2.gz BSWCAGZWLKVRCO-UHFFFAOYSA-N 2 0 339.399 1.240 20 0 EDADRP COCC[N@@H+](Cc1cnc([C@@H](C)O)s1)CC1CC[NH+](C)CC1 ZINC000877664062 597546080 /nfs/dbraw/zinc/54/60/80/597546080.db2.gz GDDGFYBSLLDORQ-CYBMUJFWSA-N 2 0 327.494 1.987 20 0 EDADRP C[NH+](C)C[C@@H]1CN(Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1C[NH+](C)C ZINC000877670312 597546608 /nfs/dbraw/zinc/54/66/08/597546608.db2.gz JDGOCEPFOXNYSX-VXGBXAGGSA-N 2 0 333.402 1.600 20 0 EDADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)CC1(O)CCCC1 ZINC000878155948 597582657 /nfs/dbraw/zinc/58/26/57/597582657.db2.gz UVRWHZKTYSOMEU-KRWDZBQOSA-N 2 0 340.508 1.619 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)N1CCC([NH2+]C2CCOCC2)CC1 ZINC000883114655 597654823 /nfs/dbraw/zinc/65/48/23/597654823.db2.gz BPNQSXDXUUDDFE-OAHLLOKOSA-N 2 0 340.512 1.659 20 0 EDADRP CC(C)C[N@@H+](CC(=O)N1C[C@@H](C)O[C@H](C)C1)CC1CC[NH+](C)CC1 ZINC000879702319 597694441 /nfs/dbraw/zinc/69/44/41/597694441.db2.gz KDTLOOASTYBJOL-IAGOWNOFSA-N 2 0 339.524 1.922 20 0 EDADRP CCCn1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cn1 ZINC000878821386 597723722 /nfs/dbraw/zinc/72/37/22/597723722.db2.gz KZEICYKXKGAWCE-HUUCEWRRSA-N 2 0 336.484 1.496 20 0 EDADRP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC000879978209 597794781 /nfs/dbraw/zinc/79/47/81/597794781.db2.gz VCOCSHMSYZQMAW-KURKYZTESA-N 2 0 339.524 1.850 20 0 EDADRP COCC[N@H+](C[C@@H]1CN(C2CC2)C(=O)O1)CC1CC[NH+](C)CC1 ZINC000879126845 597827444 /nfs/dbraw/zinc/82/74/44/597827444.db2.gz NNERLRVMQGNMPI-MRXNPFEDSA-N 2 0 325.453 1.260 20 0 EDADRP C[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2[C@@H](O)c2ccccc2)CC1 ZINC000879247012 597863634 /nfs/dbraw/zinc/86/36/34/597863634.db2.gz ZWIINIGOYFZWBJ-MJGOQNOKSA-N 2 0 331.460 1.395 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2CCC[C@@H](CF)C2)C1 ZINC000880235992 597879006 /nfs/dbraw/zinc/87/90/06/597879006.db2.gz UTJOQBFGGZDURY-JKSUJKDBSA-N 2 0 329.460 1.141 20 0 EDADRP CC1(C)C[NH2+]C[C@@H]1C(=O)Nc1ccccc1C(=O)OC[C@H]1CCC[NH2+]1 ZINC000884024615 597970929 /nfs/dbraw/zinc/97/09/29/597970929.db2.gz WUQSHCWCQVRCBW-UKRRQHHQSA-N 2 0 345.443 1.780 20 0 EDADRP CCCN(C(=O)c1ccnc(N2CC[NH2+]CC2)c1)C1CC[NH2+]CC1 ZINC000884174941 598014667 /nfs/dbraw/zinc/01/46/67/598014667.db2.gz CEWAOPCQBYBYGV-UHFFFAOYSA-N 2 0 331.464 1.095 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000884187865 598019301 /nfs/dbraw/zinc/01/93/01/598019301.db2.gz RJIZZWROAMIIAU-RKVPGOIHSA-N 2 0 333.476 1.754 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)[C@@H]([NH3+])Cc2cc3ccccc3o2)CCSC1 ZINC000884192239 598021173 /nfs/dbraw/zinc/02/11/73/598021173.db2.gz ZVXZANNRRVWZHA-YJBOKZPZSA-N 2 0 347.484 1.856 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)c2ccnc(N3CC[NH2+]CC3)c2)C1 ZINC000884222739 598034391 /nfs/dbraw/zinc/03/43/91/598034391.db2.gz YYIOASSEXTZAGI-JKSUJKDBSA-N 2 0 331.464 1.094 20 0 EDADRP COCC[C@H]([NH3+])C(=O)N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000884223726 598035218 /nfs/dbraw/zinc/03/52/18/598035218.db2.gz XRBRJHIFCBMZHR-CIRFHOKZSA-N 2 0 333.476 1.623 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000884327914 598069199 /nfs/dbraw/zinc/06/91/99/598069199.db2.gz FSHDSEUEPLUFMQ-KSZLIROESA-N 2 0 331.460 1.473 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000884401194 598093961 /nfs/dbraw/zinc/09/39/61/598093961.db2.gz HJDDYUSAQPEQBM-IRXDYDNUSA-N 2 0 331.460 1.115 20 0 EDADRP C[C@@H]1CCCN(C(=O)c2ccnc(N3CC[NH2+]CC3)c2)[C@@H]1CCC[NH3+] ZINC000884411743 598096908 /nfs/dbraw/zinc/09/69/08/598096908.db2.gz XABZMBDGHCEEFO-NVXWUHKLSA-N 2 0 345.491 1.471 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)N[C@@H]2CCC[NH+]3CCSC[C@H]23)C1 ZINC000914075693 695070821 /nfs/dbraw/zinc/07/08/21/695070821.db2.gz FSLIGEJKLFDMPL-BZUAXINKSA-N 2 0 340.537 1.597 20 0 EDADRP C[C@H](CNC(=O)NCC1([NH+](C)C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000914190025 695266233 /nfs/dbraw/zinc/26/62/33/695266233.db2.gz HBTRBFJSJMHMRN-OAHLLOKOSA-N 2 0 330.476 1.827 20 0 EDADRP CC(C)[N@H+]1C[C@H](NS(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)[C@@H](C)C1 ZINC000914202349 695270314 /nfs/dbraw/zinc/27/03/14/695270314.db2.gz IPPFOAKSKAYEDP-JYJNAYRXSA-N 2 0 329.510 1.120 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000914244220 695303861 /nfs/dbraw/zinc/30/38/61/695303861.db2.gz CZIIHPAJOFDYGU-QGZVFWFLSA-N 2 0 334.439 1.793 20 0 EDADRP CCO[C@@H](CNC(=O)NC[C@H](C)C[NH+]1CCCCC1)C[NH+](C)C ZINC000914278006 695326114 /nfs/dbraw/zinc/32/61/14/695326114.db2.gz PDURAUHIBQUKAD-HOTGVXAUSA-N 2 0 328.501 1.374 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12)[NH+]1CCCCC1 ZINC000914293767 695340861 /nfs/dbraw/zinc/34/08/61/695340861.db2.gz PXGDPFSYPHLHKD-OWCLPIDISA-N 2 0 340.537 1.740 20 0 EDADRP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC000992902523 695439637 /nfs/dbraw/zinc/43/96/37/695439637.db2.gz ADUYXYYFTCBOLO-BPQIPLTHSA-N 2 0 345.491 1.233 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@@H]([NH2+]Cc3cnsn3)[C@H]2C1 ZINC000992905095 695440755 /nfs/dbraw/zinc/44/07/55/695440755.db2.gz JBSVSSAAJPLFTN-CWRNSKLLSA-N 2 0 349.504 1.351 20 0 EDADRP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]3CN(C(=O)C[NH+]4CCCC4)C[C@H]32)co1 ZINC000992918940 695453572 /nfs/dbraw/zinc/45/35/72/695453572.db2.gz NAMBHHGLZFGDLZ-KBAYOESNSA-N 2 0 346.475 1.796 20 0 EDADRP C[C@@H]1C[C@@H](C[NH+]2CC(NC(=O)C3CC[NH+](CC4CC4)CC3)C2)CCO1 ZINC001031235679 695930887 /nfs/dbraw/zinc/93/08/87/695930887.db2.gz DPGLXAXDECUWSO-WBVHZDCISA-N 2 0 349.519 1.724 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H](O)C[NH+]1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000915733430 695978872 /nfs/dbraw/zinc/97/88/72/695978872.db2.gz CNCFWCREHGCMCG-BRWVUGGUSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CCCN1Cc1ccnn1C ZINC000993686583 696309291 /nfs/dbraw/zinc/30/92/91/696309291.db2.gz WMEYRTHEAGUMLQ-RDJZCZTQSA-N 2 0 347.507 1.764 20 0 EDADRP C[NH+](C)C1(CNC(=S)NCCCN2CCOCC2)CCCCC1 ZINC000916124252 696627280 /nfs/dbraw/zinc/62/72/80/696627280.db2.gz VODZKXJQPWGQBC-UHFFFAOYSA-N 2 0 342.553 1.437 20 0 EDADRP CCc1cnc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000940008732 700110769 /nfs/dbraw/zinc/11/07/69/700110769.db2.gz ZPYWSDSERNWRKA-HNNXBMFYSA-N 2 0 334.464 1.802 20 0 EDADRP COCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC000994467477 696904078 /nfs/dbraw/zinc/90/40/78/696904078.db2.gz VMIPJHFCAYZXRD-YJBOKZPZSA-N 2 0 333.476 1.977 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)NCc1ccc(Nc2cc[nH+]cc2)cc1 ZINC000917822083 697082368 /nfs/dbraw/zinc/08/23/68/697082368.db2.gz KTYMFYCXGPXJPP-UHFFFAOYSA-N 2 0 348.472 1.618 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2C[NH+](C[C@H]3C[C@@]34CCOC4)C2)c1 ZINC001031433340 697095098 /nfs/dbraw/zinc/09/50/98/697095098.db2.gz HTCBHWGFUMFFEW-YLJYHZDGSA-N 2 0 343.471 1.589 20 0 EDADRP CN1CCC(CNC(=O)N[C@H]2C[C@H](CO)C2)([NH+]2CCCCC2)CC1 ZINC000920604258 697451250 /nfs/dbraw/zinc/45/12/50/697451250.db2.gz RXXOPCDBSGTHBL-WKILWMFISA-N 2 0 338.496 1.007 20 0 EDADRP O=C(NCC1CN(Cc2cccc(F)c2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001031674542 697483086 /nfs/dbraw/zinc/48/30/86/697483086.db2.gz LIXLHGAZLWNUGU-SFHVURJKSA-N 2 0 331.435 1.716 20 0 EDADRP CC(C)C[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C1 ZINC001031679243 697496245 /nfs/dbraw/zinc/49/62/45/697496245.db2.gz OUPTZIVFFMCARS-MSOLQXFVSA-N 2 0 337.508 1.437 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2cc([C@H]3CCCN3C)n[nH]2)C1)OC ZINC001031685957 697515807 /nfs/dbraw/zinc/51/58/07/697515807.db2.gz HPXXOQRHEFUEEK-RHSMWYFYSA-N 2 0 349.479 1.263 20 0 EDADRP CC[N@H+]1C[C@H](NC(=O)N[C@H](CC[NH+](C)C)c2cccnc2)[C@@H](C)C1 ZINC000921406545 697594799 /nfs/dbraw/zinc/59/47/99/697594799.db2.gz KOWGEZWKMGSTRW-UAGQMJEPSA-N 2 0 333.480 1.714 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](CNC(=O)NCc2cc(N(C)C)cc[nH+]2)C1 ZINC000921426520 697603256 /nfs/dbraw/zinc/60/32/56/697603256.db2.gz BOXMCNVQYADSDX-HNNXBMFYSA-N 2 0 333.480 1.925 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1C[NH+](CCc2ccns2)C1 ZINC001031713533 697733425 /nfs/dbraw/zinc/73/34/25/697733425.db2.gz BHLRQCZQCAVWQR-MRXNPFEDSA-N 2 0 336.505 1.608 20 0 EDADRP CC1([NH2+]Cc2cnns2)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000940115583 700230470 /nfs/dbraw/zinc/23/04/70/700230470.db2.gz NQVKNHBNDGLNCG-OAHLLOKOSA-N 2 0 349.504 1.351 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000237930029 698519093 /nfs/dbraw/zinc/51/90/93/698519093.db2.gz HCQJTYVZEAVVNY-JKSUJKDBSA-N 2 0 331.416 1.661 20 0 EDADRP [NH3+]Cc1ccc(C(=O)Nc2ccccc2C(=O)OC[C@H]2CCC[NH2+]2)o1 ZINC000237993338 698588837 /nfs/dbraw/zinc/58/88/37/698588837.db2.gz DNDYGXZGWUBXEO-GFCCVEGCSA-N 2 0 343.383 1.899 20 0 EDADRP Cc1ncccc1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC000939054104 699114390 /nfs/dbraw/zinc/11/43/90/699114390.db2.gz DXURHVNXWZBPKF-KSSFIOAISA-N 2 0 330.476 1.668 20 0 EDADRP CCc1onc(C)c1C[NH2+][C@H]1CN(C(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC000939063594 699130399 /nfs/dbraw/zinc/13/03/99/699130399.db2.gz ITPFPOLOTZINFK-DYVFJYSZSA-N 2 0 348.491 1.824 20 0 EDADRP CC(C)CC[NH+]1CC(N2CCN(C(=O)C3CC[NH+](C)CC3)CC2)C1 ZINC000941545148 701575966 /nfs/dbraw/zinc/57/59/66/701575966.db2.gz NYVMGMNGUZOGPL-UHFFFAOYSA-N 2 0 336.524 1.203 20 0 EDADRP C[C@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1[NH2+]Cc1cncn1C ZINC000939128756 699207484 /nfs/dbraw/zinc/20/74/84/699207484.db2.gz PBKBQNNSKYCDSQ-GOEBONIOSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[N@@H+]3CCC(C)(C)C3)C[C@@H]2C)on1 ZINC000939128703 699207534 /nfs/dbraw/zinc/20/75/34/699207534.db2.gz OEWXCZGWWCTEPU-BBRMVZONSA-N 2 0 334.464 1.651 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CC3CCC3)C2)n1 ZINC000994937604 699521755 /nfs/dbraw/zinc/52/17/55/699521755.db2.gz FJMPNEJLNNFFRC-DLBZAZTESA-N 2 0 347.507 1.733 20 0 EDADRP C[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)C[C@@H]1[NH2+]Cc1ccc(F)cc1F ZINC000939544562 699686132 /nfs/dbraw/zinc/68/61/32/699686132.db2.gz KQXJGNJLGMKYIN-GUYCJALGSA-N 2 0 349.425 1.997 20 0 EDADRP CC(C)C[NH+]1CC(N2CCN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000941677363 701615940 /nfs/dbraw/zinc/61/59/40/701615940.db2.gz NHGXHZXKEYOCAY-IRXDYDNUSA-N 2 0 336.524 1.344 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)Cn3ccnc3C)C[C@H]2C)cc1 ZINC000939748567 699895548 /nfs/dbraw/zinc/89/55/48/699895548.db2.gz QNQXLXMANJHYLU-KDOFPFPSSA-N 2 0 342.443 1.837 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1ccncc1Cl ZINC000939753484 699902713 /nfs/dbraw/zinc/90/27/13/699902713.db2.gz FYVMUNDELFHIRH-CZUORRHYSA-N 2 0 336.867 1.767 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C ZINC000939754143 699904106 /nfs/dbraw/zinc/90/41/06/699904106.db2.gz LIOPDGUQYPICKJ-DYVFJYSZSA-N 2 0 334.464 1.578 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000939754321 699904550 /nfs/dbraw/zinc/90/45/50/699904550.db2.gz MHOYHWOOCNYGFG-YJBOKZPZSA-N 2 0 331.460 1.728 20 0 EDADRP COc1ccc(CC[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]2C)cc1 ZINC000939754952 699905151 /nfs/dbraw/zinc/90/51/51/699905151.db2.gz BDOJKCJCGFJHOF-QFBILLFUSA-N 2 0 345.487 1.770 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1NCc1nnc(C(C)(C)C)o1 ZINC000939760331 699913214 /nfs/dbraw/zinc/91/32/14/699913214.db2.gz VFVPEOHHHUFJJL-ZIAGYGMSSA-N 2 0 349.479 1.399 20 0 EDADRP CCn1ncc(C[NH2+]C2(C)CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000940179268 700313536 /nfs/dbraw/zinc/31/35/36/700313536.db2.gz SEUUDDCDKCEFGY-INIZCTEOSA-N 2 0 348.495 1.253 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC000995053576 700379193 /nfs/dbraw/zinc/37/91/93/700379193.db2.gz HVDRVGDGOUNRCI-CABCVRRESA-N 2 0 349.479 1.627 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]C[C@@H]3CCCOC3)CC2)CC1 ZINC000940296054 700467870 /nfs/dbraw/zinc/46/78/70/700467870.db2.gz DTQOGJFVGFLMCV-INIZCTEOSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccns2)CC1 ZINC000940327631 700504755 /nfs/dbraw/zinc/50/47/55/700504755.db2.gz LJHGZIHRNGWWGU-ZFWWWQNUSA-N 2 0 336.505 1.812 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2csnn2)CC1 ZINC000940329207 700508418 /nfs/dbraw/zinc/50/84/18/700508418.db2.gz RKJVPANVKGBRKU-JSGCOSHPSA-N 2 0 337.493 1.207 20 0 EDADRP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]Cc3cnon3)CC2)CC1 ZINC000940391963 700568541 /nfs/dbraw/zinc/56/85/41/700568541.db2.gz GIZYDVAQMAGHBX-UHFFFAOYSA-N 2 0 335.452 1.272 20 0 EDADRP CCn1cc(C[NH2+]C2(C)CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)nn1 ZINC000940426478 700620166 /nfs/dbraw/zinc/62/01/66/700620166.db2.gz SBQRLSHAEYXLRU-OAHLLOKOSA-N 2 0 348.495 1.111 20 0 EDADRP Cc1ncc(C[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000940461885 700665318 /nfs/dbraw/zinc/66/53/18/700665318.db2.gz PYXWHTSOHCCAGU-UHFFFAOYSA-N 2 0 331.464 1.352 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC000940748277 700873928 /nfs/dbraw/zinc/87/39/28/700873928.db2.gz WXWYODKRERPATK-HOTGVXAUSA-N 2 0 339.524 1.848 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCO)CC1(C)C ZINC000940736735 700877871 /nfs/dbraw/zinc/87/78/71/700877871.db2.gz IYSKSTKVISIDFX-JKSUJKDBSA-N 2 0 325.497 1.458 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[NH+](CCOC)CC2(C)C)C1 ZINC000940973842 701016049 /nfs/dbraw/zinc/01/60/49/701016049.db2.gz XSZWIJRVYSGJGS-IRXDYDNUSA-N 2 0 339.524 1.972 20 0 EDADRP Cc1nnc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C34CC[NH+](CC3)C4)C2)s1 ZINC000995171251 701694269 /nfs/dbraw/zinc/69/42/69/701694269.db2.gz ZKXYPUPABZEGKH-ZIAGYGMSSA-N 2 0 349.504 1.317 20 0 EDADRP Cn1cncc1C[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC000941163532 701228624 /nfs/dbraw/zinc/22/86/24/701228624.db2.gz MGFWMEUOOKJBSF-NVXWUHKLSA-N 2 0 347.507 1.479 20 0 EDADRP CC1(C)C[N@H+](C[C@H]2CCCOC2)CC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000941166985 701377938 /nfs/dbraw/zinc/37/79/38/701377938.db2.gz NVFRHQOIYRCINN-IAGOWNOFSA-N 2 0 349.519 1.726 20 0 EDADRP CO[C@@H](C[NH+]1CC(CNC(=O)c2occc2C[NH+](C)C)C1)C1CCC1 ZINC001031932242 701384516 /nfs/dbraw/zinc/38/45/16/701384516.db2.gz YXJYTIAQFAQIFX-KRWDZBQOSA-N 2 0 349.475 1.818 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC000999169992 706599062 /nfs/dbraw/zinc/59/90/62/706599062.db2.gz NNTLXBABOBGGTH-DLBZAZTESA-N 2 0 345.491 1.325 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2CN(Cc3cccc(F)c3F)C2)CC1 ZINC001031947797 701503831 /nfs/dbraw/zinc/50/38/31/701503831.db2.gz KKXDILJNVRIOHM-UHFFFAOYSA-N 2 0 337.414 1.855 20 0 EDADRP C[NH+]1CCC(C(=O)NCC2C[NH+](C[C@@H](O)c3ccccc3)C2)CC1 ZINC001031948341 701514044 /nfs/dbraw/zinc/51/40/44/701514044.db2.gz VMIBIPPUXOYSNW-GOSISDBHSA-N 2 0 331.460 1.110 20 0 EDADRP C[C@H](F)CC[NH+]1CC(N2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)C1 ZINC000941436832 701540116 /nfs/dbraw/zinc/54/01/16/701540116.db2.gz HUOAXEYDMCXAQF-HNNXBMFYSA-N 2 0 340.487 1.047 20 0 EDADRP COc1ccc(C[NH+]2CC(CNC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)C2)cc1C ZINC001031975955 701931915 /nfs/dbraw/zinc/93/19/15/701931915.db2.gz CHODGQXNPIHBNZ-CRAIPNDOSA-N 2 0 345.487 1.749 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCOc2cccc(F)c2)C1 ZINC001031976790 701975295 /nfs/dbraw/zinc/97/52/95/701975295.db2.gz SNMIURLCJDFBFU-KDOFPFPSSA-N 2 0 349.450 1.450 20 0 EDADRP Cc1nc(CC[NH+]2CC(CNC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)C2)cs1 ZINC001031979402 702067566 /nfs/dbraw/zinc/06/75/66/702067566.db2.gz CXLDHBHSAUJISH-WBMJQRKESA-N 2 0 336.505 1.240 20 0 EDADRP COCc1ccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)cc1 ZINC001032181208 702096288 /nfs/dbraw/zinc/09/62/88/702096288.db2.gz CGSPOHSAUXWPFI-SFHVURJKSA-N 2 0 331.460 1.333 20 0 EDADRP Cc1ncoc1C[NH2+][C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1(C)C ZINC000995825944 702099132 /nfs/dbraw/zinc/09/91/32/702099132.db2.gz UPHAUQRQQFRLDL-NVXWUHKLSA-N 2 0 346.475 1.651 20 0 EDADRP Cc1ccc(CC[NH+]2CC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)C2)cc1 ZINC001031980593 702139342 /nfs/dbraw/zinc/13/93/42/702139342.db2.gz WERAXJFASQJAJP-VQIMIIECSA-N 2 0 329.488 1.783 20 0 EDADRP CC(C)Oc1cccc(C[NH+]2CC(CNC(=O)[C@H]3CC[N@H+](C)C3)C2)c1 ZINC001032182079 702182919 /nfs/dbraw/zinc/18/29/19/702182919.db2.gz DLUIWSIKTZRBIX-SFHVURJKSA-N 2 0 345.487 1.974 20 0 EDADRP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]Cc3cnns3)C(C)(C)C2)CCC1 ZINC000995885349 702220193 /nfs/dbraw/zinc/22/01/93/702220193.db2.gz IIFAXELHCQFZRU-ZDUSSCGKSA-N 2 0 337.493 1.349 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cccnc2)C(C)(C)C1)C1CC1 ZINC000995890451 702231394 /nfs/dbraw/zinc/23/13/94/702231394.db2.gz BBSKQVKSEAAGGO-IAGOWNOFSA-N 2 0 330.476 1.748 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2(C)C)on1 ZINC000995926365 702254069 /nfs/dbraw/zinc/25/40/69/702254069.db2.gz MZCIHHGUZJQRLZ-HOTGVXAUSA-N 2 0 336.480 1.896 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2cnn(C)c2)C(C)(C)C1)[NH+](C)C ZINC000995926445 702254851 /nfs/dbraw/zinc/25/48/51/702254851.db2.gz NTITYGYLFLBKMK-CVEARBPZSA-N 2 0 335.496 1.333 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2C[NH+]([C@@H]3CCc4ccc(F)cc43)C2)C1 ZINC001032186898 702287818 /nfs/dbraw/zinc/28/78/18/702287818.db2.gz ZBWFECLUHPCNMR-CRAIPNDOSA-N 2 0 331.435 1.813 20 0 EDADRP C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCOCC1)[NH+]1CCCCCC1 ZINC001032664560 706657892 /nfs/dbraw/zinc/65/78/92/706657892.db2.gz IECHFZNWGSQFSB-NEWSRXKRSA-N 2 0 349.519 1.963 20 0 EDADRP Cc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995965510 702311372 /nfs/dbraw/zinc/31/13/72/702311372.db2.gz CGRSZUGHJOOMGU-HZPDHXFCSA-N 2 0 334.464 1.794 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH2+]Cc3ocnc3C)C2)CC[N@@H+]1C ZINC000999209111 706662292 /nfs/dbraw/zinc/66/22/92/706662292.db2.gz OLTHOLRXBXWKAS-HRCADAONSA-N 2 0 334.464 1.794 20 0 EDADRP CC1(C)CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000995996784 702375490 /nfs/dbraw/zinc/37/54/90/702375490.db2.gz MRVLLWGJGZYRAR-IAGOWNOFSA-N 2 0 349.519 1.868 20 0 EDADRP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)[C@@H](C)C1 ZINC000944167353 702406318 /nfs/dbraw/zinc/40/63/18/702406318.db2.gz DBJPZQFUOKLOIO-WMLDXEAASA-N 2 0 345.491 1.151 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@H]2CN(C(=O)[C@@H]3CCC[N@H+]3C)CC2(C)C)n1 ZINC000995549989 702537705 /nfs/dbraw/zinc/53/77/05/702537705.db2.gz GSHQUFOIPFAHNU-IRXDYDNUSA-N 2 0 347.507 1.421 20 0 EDADRP C[C@H]1C[N@H+](CCCO)CC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC000942098997 702593643 /nfs/dbraw/zinc/59/36/43/702593643.db2.gz FIBGXOGPBDJOLX-DZGCQCFKSA-N 2 0 339.505 1.632 20 0 EDADRP Cn1cc(CC[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)CC2(C)C)cn1 ZINC000996223698 702633829 /nfs/dbraw/zinc/63/38/29/702633829.db2.gz RUGIJEZSOIIKER-QGZVFWFLSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1C[C@H]([NH2+]Cc2ccn(C)n2)C(C)(C)C1 ZINC000996299907 702691055 /nfs/dbraw/zinc/69/10/55/702691055.db2.gz GPKDLFIZRVSSLK-HOCLYGCPSA-N 2 0 333.480 1.231 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCn3cccn3)C(C)(C)C2)C1 ZINC000996299944 702691295 /nfs/dbraw/zinc/69/12/95/702691295.db2.gz HFRUMGPZWAODHH-HOTGVXAUSA-N 2 0 333.480 1.052 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCc3ccnn3C)C(C)(C)C2)C1 ZINC000996300217 702691965 /nfs/dbraw/zinc/69/19/65/702691965.db2.gz KJNCVSLUJWALQV-DOTOQJQBSA-N 2 0 347.507 1.131 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1C[C@@H]([NH2+]Cc2ccns2)C(C)(C)C1 ZINC000996302676 702694881 /nfs/dbraw/zinc/69/48/81/702694881.db2.gz YRHWRBZSQJPFCE-UKRRQHHQSA-N 2 0 336.505 1.954 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CC3CCOCC3)C(C)(C)C2)C1 ZINC000996302608 702694888 /nfs/dbraw/zinc/69/48/88/702694888.db2.gz XWQSVXVFUSTJJE-NVXWUHKLSA-N 2 0 337.508 1.581 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H](CC)[NH+](C)C)CC1(C)C ZINC000996313909 702702445 /nfs/dbraw/zinc/70/24/45/702702445.db2.gz GLFGCAUWFILAEO-JKSUJKDBSA-N 2 0 336.480 1.904 20 0 EDADRP CC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001032675939 706695408 /nfs/dbraw/zinc/69/54/08/706695408.db2.gz XBPDPVYFVVWQQS-RLNQZENFSA-N 2 0 345.491 1.390 20 0 EDADRP Cn1cncc1CC(=O)N1C[C@H]([NH2+]Cc2ccc(F)cn2)C(C)(C)C1 ZINC000996512075 702831417 /nfs/dbraw/zinc/83/14/17/702831417.db2.gz AFESBDYLYCEFIT-INIZCTEOSA-N 2 0 345.422 1.524 20 0 EDADRP CC(C)(C(=O)N1CCC([NH2+]C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000996533682 702847989 /nfs/dbraw/zinc/84/79/89/702847989.db2.gz KCMOUTGNIGGPGW-MRXNPFEDSA-N 2 0 337.508 1.868 20 0 EDADRP Cn1ccnc1C[NH2+][C@H]1CN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996519754 702855811 /nfs/dbraw/zinc/85/58/11/702855811.db2.gz QQFRXGXOJJJIMF-CABCVRRESA-N 2 0 333.480 1.089 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CN(C(=O)C[C@@H]3CC[N@@H+](C)C3)CC2(C)C)ncn1 ZINC000996521317 702857123 /nfs/dbraw/zinc/85/71/23/702857123.db2.gz VGIFCUNSXHWWIF-RDJZCZTQSA-N 2 0 345.491 1.453 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC([NH2+]Cc3nccnc3C)CC2)CC[N@@H+]1C ZINC000996603982 702913602 /nfs/dbraw/zinc/91/36/02/702913602.db2.gz PDCSXZIXJLAYCX-FUHWJXTLSA-N 2 0 345.491 1.596 20 0 EDADRP CCCn1ncnc1C[NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000996610368 702915507 /nfs/dbraw/zinc/91/55/07/702915507.db2.gz ZVSQXANMWRMQST-GDBMZVCRSA-N 2 0 348.495 1.109 20 0 EDADRP CCc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996614025 702919412 /nfs/dbraw/zinc/91/94/12/702919412.db2.gz YAJZRPOBWKDKMN-QGZVFWFLSA-N 2 0 348.491 1.968 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CN(C(=O)C[NH+]2CCCC2)CC1(C)C ZINC000996609493 702920355 /nfs/dbraw/zinc/92/03/55/702920355.db2.gz HDPWNPVNOANLNZ-INIZCTEOSA-N 2 0 348.495 1.029 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2C[C@H]([NH2+]Cc3cc4n(n3)CCC4)C(C)(C)C2)C1 ZINC000996617729 702924461 /nfs/dbraw/zinc/92/44/61/702924461.db2.gz VUOGFFUKQTYVCU-YOEHRIQHSA-N 2 0 345.491 1.108 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)on1 ZINC000996661997 702959369 /nfs/dbraw/zinc/95/93/69/702959369.db2.gz BUQWVQJAYZHDBJ-UHFFFAOYSA-N 2 0 336.436 1.248 20 0 EDADRP CC(C)C[N@@H+]1CC[C@@H](C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)C1 ZINC000996667061 702963890 /nfs/dbraw/zinc/96/38/90/702963890.db2.gz SCEYZKWBTJSTBV-MRXNPFEDSA-N 2 0 347.507 1.479 20 0 EDADRP CCn1cc(CC[NH2+]C2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)cn1 ZINC000996664636 702966780 /nfs/dbraw/zinc/96/67/80/702966780.db2.gz LBGXKPZPWAFUHR-UHFFFAOYSA-N 2 0 347.507 1.510 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC([NH2+]Cc2ncnn2C)CC1 ZINC000996669641 702971447 /nfs/dbraw/zinc/97/14/47/702971447.db2.gz RIMDIFFCENWQEV-MRXNPFEDSA-N 2 0 348.495 1.159 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)on1 ZINC000996675154 702974338 /nfs/dbraw/zinc/97/43/38/702974338.db2.gz FIYLNFASCMEEMY-MRXNPFEDSA-N 2 0 336.436 1.104 20 0 EDADRP O=C([C@H]1CCCc2nccn21)N1CCC([NH2+]C[C@@H]2CCCCO2)CC1 ZINC000996676340 702975174 /nfs/dbraw/zinc/97/51/74/702975174.db2.gz HEILKQQFNPWPSS-DLBZAZTESA-N 2 0 346.475 1.910 20 0 EDADRP O=C([C@H]1CCCc2nccn21)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000996676163 702975315 /nfs/dbraw/zinc/97/53/15/702975315.db2.gz FWZWENPABUVVGY-QGZVFWFLSA-N 2 0 339.443 1.936 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1)C1CC1 ZINC000996680708 702978924 /nfs/dbraw/zinc/97/89/24/702978924.db2.gz UIDFQUUJUCARDE-QGZVFWFLSA-N 2 0 346.475 1.973 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+](C)C)CC2)[nH]1 ZINC000996680700 702978935 /nfs/dbraw/zinc/97/89/35/702978935.db2.gz UHDITHVWHZZNFI-INIZCTEOSA-N 2 0 348.495 1.349 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)CC[C@H]3CCC[N@H+]3C)CC2)ncn1 ZINC000996691132 702988422 /nfs/dbraw/zinc/98/84/22/702988422.db2.gz SHNGGYJHASOJDU-GOSISDBHSA-N 2 0 345.491 1.740 20 0 EDADRP CCc1nnc(C[NH2+]C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)s1 ZINC000996710713 703005155 /nfs/dbraw/zinc/00/51/55/703005155.db2.gz FELUIJVYAIEKDW-CYBMUJFWSA-N 2 0 339.509 1.521 20 0 EDADRP COc1cccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)Cn3ccnc3)C2)n1 ZINC000995256754 703006002 /nfs/dbraw/zinc/00/60/02/703006002.db2.gz ZYYWEIPBVSAFGI-HUUCEWRRSA-N 2 0 343.431 1.361 20 0 EDADRP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N1CCC([NH2+]Cc2cnns2)CC1 ZINC000996715373 703009933 /nfs/dbraw/zinc/00/99/33/703009933.db2.gz FSZKRBRFUFTCDG-HOCLYGCPSA-N 2 0 349.504 1.636 20 0 EDADRP Cc1nocc1C[NH2+]C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000996722884 703017703 /nfs/dbraw/zinc/01/77/03/703017703.db2.gz RJVNHAZOUBKXOH-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C[C@@H]2CC(C)(C)CO2)CC1 ZINC000996723400 703018558 /nfs/dbraw/zinc/01/85/58/703018558.db2.gz MGSVUTBPZPXLDB-DLBZAZTESA-N 2 0 337.508 1.866 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)ncn1 ZINC000996725096 703019648 /nfs/dbraw/zinc/01/96/48/703019648.db2.gz RJOATFHIIKFKTO-KRWDZBQOSA-N 2 0 331.464 1.350 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C34CCC[NH+](CCC3)C4)CC2)co1 ZINC000996725056 703019873 /nfs/dbraw/zinc/01/98/73/703019873.db2.gz DPGDPWMVQJKOKS-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)on1 ZINC000996769450 703060569 /nfs/dbraw/zinc/06/05/69/703060569.db2.gz GAXHNNOWYYJJRM-UHFFFAOYSA-N 2 0 348.447 1.392 20 0 EDADRP O=C(C[NH+]1CCCC1)NC1CCC([NH+]2CCN(CCF)CC2)CC1 ZINC000996801796 703087691 /nfs/dbraw/zinc/08/76/91/703087691.db2.gz HVIVVTRWXHZECG-UHFFFAOYSA-N 2 0 340.487 1.097 20 0 EDADRP CC1CC(C[NH2+]C2CCN(C(=O)[C@H]3C[N@@H+]4CC5CC4(C5)CO3)CC2)C1 ZINC000996815652 703101788 /nfs/dbraw/zinc/10/17/88/703101788.db2.gz DAANUABIKNIIKD-ZVQXUQNISA-N 2 0 347.503 1.476 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)[C@H](C3CC3)[NH+]3CCCC3)CC2)n1 ZINC000996860978 703144268 /nfs/dbraw/zinc/14/42/68/703144268.db2.gz XHBGMNUXCKDAMD-SFHVURJKSA-N 2 0 345.491 1.375 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CCC[N@H+](CCCO)CC1 ZINC000948474204 703153202 /nfs/dbraw/zinc/15/32/02/703153202.db2.gz QYPDPITZXHDJFC-KRWDZBQOSA-N 2 0 337.508 1.558 20 0 EDADRP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CCOC ZINC000735288944 703160748 /nfs/dbraw/zinc/16/07/48/703160748.db2.gz ARHUVEBGTAMARG-KRWDZBQOSA-N 2 0 325.497 1.822 20 0 EDADRP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH2+]Cc3cnon3)CC2)C1 ZINC000996901805 703172026 /nfs/dbraw/zinc/17/20/26/703172026.db2.gz AXSUGYPOGSUYMC-CQSZACIVSA-N 2 0 335.452 1.272 20 0 EDADRP Cn1nccc1CC[NH+]1CC(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001032042625 703204066 /nfs/dbraw/zinc/20/40/66/703204066.db2.gz GWWRNYVKXDVWPD-ROUUACIJSA-N 2 0 345.491 1.028 20 0 EDADRP C[NH+]1CCC(C(=O)N2CCC([NH2+]CC[C@@H]3CCCCO3)CC2)CC1 ZINC000996945217 703214189 /nfs/dbraw/zinc/21/41/89/703214189.db2.gz GTXKKPIJIGJKDZ-SFHVURJKSA-N 2 0 337.508 1.868 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)o1 ZINC000996998471 703255638 /nfs/dbraw/zinc/25/56/38/703255638.db2.gz KARKPYROXCZTSU-CHWSQXEVSA-N 2 0 335.452 1.504 20 0 EDADRP C[C@H]1CC[C@H](C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)O1 ZINC000996999407 703256392 /nfs/dbraw/zinc/25/63/92/703256392.db2.gz OELYPGIIUCGDNJ-DOTOQJQBSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@H]1CCC[N@@H+]1CC(=O)N1CCC([NH2+]C[C@@H](O)c2ccccc2)CC1 ZINC000997001534 703258187 /nfs/dbraw/zinc/25/81/87/703258187.db2.gz UYLBEQJAEJNSNP-QFBILLFUSA-N 2 0 345.487 1.785 20 0 EDADRP Cc1ccncc1C[NH2+]C1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000996996680 703259928 /nfs/dbraw/zinc/25/99/28/703259928.db2.gz YAWIHMZRMTXRHG-INIZCTEOSA-N 2 0 330.476 1.955 20 0 EDADRP CCc1noc(C)c1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997004116 703261229 /nfs/dbraw/zinc/26/12/29/703261229.db2.gz BSMDACJZSZMFNF-CXAGYDPISA-N 2 0 348.491 1.824 20 0 EDADRP CCn1ccnc1C[NH2+]C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000997008042 703265552 /nfs/dbraw/zinc/26/55/52/703265552.db2.gz UPZHAFKJHXMJKH-OAHLLOKOSA-N 2 0 333.480 1.325 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)on1 ZINC000997008794 703267058 /nfs/dbraw/zinc/26/70/58/703267058.db2.gz XETBSILCONMSOY-CYBMUJFWSA-N 2 0 336.436 1.106 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC([NH2+]Cc2coc(C3CC3)n2)CC1 ZINC000997010570 703270968 /nfs/dbraw/zinc/27/09/68/703270968.db2.gz SOWOTAHXMSKKSU-CXAGYDPISA-N 2 0 346.475 1.830 20 0 EDADRP C[C@@H](C(=O)N1CCC([NH2+]Cc2ncccn2)CC1)[NH+]1CCCCCC1 ZINC000997059520 703304977 /nfs/dbraw/zinc/30/49/77/703304977.db2.gz DWOCAMXYYPOYRX-INIZCTEOSA-N 2 0 345.491 1.822 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cncn2C)CC1 ZINC000997061762 703312745 /nfs/dbraw/zinc/31/27/45/703312745.db2.gz JTQNXRBFPNBQOB-SFHVURJKSA-N 2 0 347.507 1.764 20 0 EDADRP COCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000997131260 703390704 /nfs/dbraw/zinc/39/07/04/703390704.db2.gz DYRWSLPNAULKTF-AEFFLSMTSA-N 2 0 339.524 1.827 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]C[C@@H]3CCOC3)CC2)CC1 ZINC000997142771 703405823 /nfs/dbraw/zinc/40/58/23/703405823.db2.gz IXMQNESOUIJDNV-INIZCTEOSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC2CC2)CC1 ZINC001032408963 703438240 /nfs/dbraw/zinc/43/82/40/703438240.db2.gz QHMQUFICRWPEGZ-OKYOBFRVSA-N 2 0 347.503 1.428 20 0 EDADRP Cc1nc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)oc1C ZINC000997182000 703466859 /nfs/dbraw/zinc/46/68/59/703466859.db2.gz FNCHWVPALUYJMC-OAHLLOKOSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1nonc1C[NH2+]C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000997183282 703468663 /nfs/dbraw/zinc/46/86/63/703468663.db2.gz JKCAZCVOPUQMSC-GDBMZVCRSA-N 2 0 349.479 1.579 20 0 EDADRP Cc1ccnc(C[NH2+]C2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)n1 ZINC000997185083 703473750 /nfs/dbraw/zinc/47/37/50/703473750.db2.gz PGFUPEYJQNCJJX-OAHLLOKOSA-N 2 0 331.464 1.207 20 0 EDADRP CC(C)(C)n1cc(C[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)nn1 ZINC000997301700 703544856 /nfs/dbraw/zinc/54/48/56/703544856.db2.gz HDQVDBLMDNBEEN-UHFFFAOYSA-N 2 0 348.495 1.210 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C2CCN(C(=O)C[NH+]3CCCC3)CC2)cn1 ZINC000997306742 703565209 /nfs/dbraw/zinc/56/52/09/703565209.db2.gz KMLNMRXSVKOGSF-HNNXBMFYSA-N 2 0 331.464 1.522 20 0 EDADRP Cc1oncc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000997361575 703595771 /nfs/dbraw/zinc/59/57/71/703595771.db2.gz WGIDWFBVRIFPLN-ZIAGYGMSSA-N 2 0 334.464 1.936 20 0 EDADRP Cc1nccnc1C[NH2+]C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000997361121 703598398 /nfs/dbraw/zinc/59/83/98/703598398.db2.gz SSAJZRVWRVAHGQ-GJZGRUSLSA-N 2 0 345.491 1.738 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2nonc2C)CC1 ZINC000997366159 703599834 /nfs/dbraw/zinc/59/98/34/703599834.db2.gz YVGHKQBOEXWVEN-INIZCTEOSA-N 2 0 335.452 1.333 20 0 EDADRP CCOC1CC(C[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C2([NH+](C)C)CCC2)C1 ZINC001032444131 703620939 /nfs/dbraw/zinc/62/09/39/703620939.db2.gz LXPQHKQLZJTSDH-YZUHTNEWSA-N 2 0 335.492 1.571 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NC[C@H]2CC[N@@H+]2C)CC1 ZINC000921584567 703627706 /nfs/dbraw/zinc/62/77/06/703627706.db2.gz VOXICPBZMFRJHU-RHSMWYFYSA-N 2 0 331.464 1.610 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]2C[C@H]1CN2C[C@H]1CC(C)(C)CO1)[NH+](C)C ZINC001032459790 703639604 /nfs/dbraw/zinc/63/96/04/703639604.db2.gz NJWLGCKMTPYMND-NXOAAHMSSA-N 2 0 337.508 1.673 20 0 EDADRP C[C@@H](NC(=O)c1c[nH+]ccc1N(C)C)C1CC[NH+](CCCO)CC1 ZINC000997396043 703660261 /nfs/dbraw/zinc/66/02/61/703660261.db2.gz OVAUYAGPFJMJTJ-CQSZACIVSA-N 2 0 334.464 1.360 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C1CC[NH+](CCO)CC1 ZINC000997431632 703663536 /nfs/dbraw/zinc/66/35/36/703663536.db2.gz RRKZMXVMHPCHHD-OAHLLOKOSA-N 2 0 333.476 1.571 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC1CCOCC1)[NH+](C)C ZINC001032475006 703695033 /nfs/dbraw/zinc/69/50/33/703695033.db2.gz RHKCIIMBDLLKKM-OKZBNKHCSA-N 2 0 337.508 1.819 20 0 EDADRP Cc1nocc1C[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000997515107 703765061 /nfs/dbraw/zinc/76/50/61/703765061.db2.gz IUHHAAXMNJYYHE-GUYCJALGSA-N 2 0 334.464 1.794 20 0 EDADRP CCc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)o1 ZINC000997614681 703912466 /nfs/dbraw/zinc/91/24/66/703912466.db2.gz RXNFAJNUMMLTMV-HIFRSBDPSA-N 2 0 349.479 1.615 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]Cc3cncn3C)C2)C1 ZINC000999284814 706778063 /nfs/dbraw/zinc/77/80/63/706778063.db2.gz YPSYCFAPXVZVCD-GTPINHCMSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000997659550 703982915 /nfs/dbraw/zinc/98/29/15/703982915.db2.gz KHHJLYLRUSAYGY-DLBZAZTESA-N 2 0 349.519 1.868 20 0 EDADRP Cc1oncc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000999294006 706791284 /nfs/dbraw/zinc/79/12/84/706791284.db2.gz OWRSQJJRKPWRFX-RDUJMCCZSA-N 2 0 334.464 1.792 20 0 EDADRP Cc1noc(C)c1C[N@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C[C@@H]1C ZINC000947936331 704664497 /nfs/dbraw/zinc/66/44/97/704664497.db2.gz VLYNHXYLWBEPEE-BBRMVZONSA-N 2 0 346.475 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ncnn2C)CC1 ZINC000997776521 704677595 /nfs/dbraw/zinc/67/75/95/704677595.db2.gz OOUAITPVLFTVKX-MRXNPFEDSA-N 2 0 348.495 1.016 20 0 EDADRP O=C([C@H]1C[NH+]2CCC1CC2)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000997784444 704688315 /nfs/dbraw/zinc/68/83/15/704688315.db2.gz PGYLYBOSGMEKBN-KRWDZBQOSA-N 2 0 348.516 1.813 20 0 EDADRP Cc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997785134 704689337 /nfs/dbraw/zinc/68/93/37/704689337.db2.gz JTTQOMINYOSVIC-GDBMZVCRSA-N 2 0 334.464 1.651 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)o1 ZINC000997793617 704706461 /nfs/dbraw/zinc/70/64/61/704706461.db2.gz RZDZCYUIURSPNA-CXAGYDPISA-N 2 0 334.464 1.651 20 0 EDADRP Cc1nnc([C@H](C)[NH2+]CC2CCN(C(=O)C3([NH+](C)C)CCC3)CC2)o1 ZINC000997822933 704742745 /nfs/dbraw/zinc/74/27/45/704742745.db2.gz HRPFMGAHVOQBMY-ZDUSSCGKSA-N 2 0 349.479 1.752 20 0 EDADRP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC(C[NH2+]Cc2ccon2)CC1 ZINC000997839129 704754631 /nfs/dbraw/zinc/75/46/31/704754631.db2.gz GMSZFFQOQUPUEA-QGZVFWFLSA-N 2 0 334.464 1.877 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2ccns2)CC1 ZINC000997864563 704771192 /nfs/dbraw/zinc/77/11/92/704771192.db2.gz KNQQSDMACKHAGB-MRXNPFEDSA-N 2 0 336.505 1.956 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCOC2CCC2)CC1 ZINC000997869206 704775132 /nfs/dbraw/zinc/77/51/32/704775132.db2.gz ZQNLYNCAYUOJNI-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cc(C[NH2+]CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)on1 ZINC000997889437 704791346 /nfs/dbraw/zinc/79/13/46/704791346.db2.gz VTYNYVZSDXOUKL-UHFFFAOYSA-N 2 0 346.475 1.940 20 0 EDADRP C[C@H]1C[C@@H](C(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CCCCO2)CC[N@@H+]1C ZINC001032588516 705143655 /nfs/dbraw/zinc/14/36/55/705143655.db2.gz GAFLOJFVEXOSLL-ATIWLJMLSA-N 2 0 335.492 1.571 20 0 EDADRP Cn1cncc1C[NH2+]CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000998028490 705211644 /nfs/dbraw/zinc/21/16/44/705211644.db2.gz TULMPUNTTXUZJX-UHFFFAOYSA-N 2 0 333.480 1.090 20 0 EDADRP Cc1ccnc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)n1 ZINC000998084087 705314107 /nfs/dbraw/zinc/31/41/07/705314107.db2.gz ZIQPVWNZRHLHIX-YOEHRIQHSA-N 2 0 345.491 1.311 20 0 EDADRP C[NH+]1CCC(C(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3CC[C@H]2CCCCO2)CC1 ZINC001032602869 705406414 /nfs/dbraw/zinc/40/64/14/705406414.db2.gz FPMNEOOEMXAUET-OKZBNKHCSA-N 2 0 335.492 1.573 20 0 EDADRP COC(=O)[C@@H](C)Oc1ccccc1C[NH2+]CCCN1CC[NH+](C)CC1 ZINC000921505211 705466011 /nfs/dbraw/zinc/46/60/11/705466011.db2.gz GXVBHWRYOPKPDK-MRXNPFEDSA-N 2 0 349.475 1.354 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[C@H]3CC[N@@H+](C)C3)CC2)o1 ZINC000998215617 705536794 /nfs/dbraw/zinc/53/67/94/705536794.db2.gz CJFRROWSSNKWFD-MRXNPFEDSA-N 2 0 334.464 1.653 20 0 EDADRP COc1nscc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000998547838 705980438 /nfs/dbraw/zinc/98/04/38/705980438.db2.gz BAFFFSWZSAPXNU-JXQTWKCFSA-N 2 0 338.477 1.325 20 0 EDADRP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC([NH2+]Cc2cnc(Cl)s2)C1 ZINC000998548301 705984093 /nfs/dbraw/zinc/98/40/93/705984093.db2.gz GCUVQEYZGRSUQG-GCZXYKMCSA-N 2 0 342.896 1.970 20 0 EDADRP CN(C)c1cccc(C[NH2+][C@H]2CCCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000998718967 706150900 /nfs/dbraw/zinc/15/09/00/706150900.db2.gz DJSXALLMSHWAPM-HKUYNNGSSA-N 2 0 344.503 1.927 20 0 EDADRP Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)[C@H]3CCC[N@H+]3C)C2)c(C)n1 ZINC000998719568 706151354 /nfs/dbraw/zinc/15/13/54/706151354.db2.gz GUZXIAJLJZZLEK-ZWKOTPCHSA-N 2 0 330.476 1.873 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2cc3n(n2)CCCC3)C1 ZINC000998731564 706164182 /nfs/dbraw/zinc/16/41/82/706164182.db2.gz OLDWPTNXEFUVKW-CRAIPNDOSA-N 2 0 345.491 1.394 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2nocc2C)C1 ZINC000998866470 706295937 /nfs/dbraw/zinc/29/59/37/706295937.db2.gz JWCURURXVQOLPU-VMBOVVBDSA-N 2 0 334.464 1.936 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000998868321 706297684 /nfs/dbraw/zinc/29/76/84/706297684.db2.gz WUNLKHAYKZVJRI-JCYILVPMSA-N 2 0 333.480 1.374 20 0 EDADRP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000998995425 706412629 /nfs/dbraw/zinc/41/26/29/706412629.db2.gz SDFHBITXCITNCY-NRXISQOPSA-N 2 0 347.463 1.510 20 0 EDADRP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]Cc2cncc(F)c2)C1 ZINC000999050886 706471881 /nfs/dbraw/zinc/47/18/81/706471881.db2.gz NVSOGLASAUPQSI-UHFFFAOYSA-N 2 0 346.450 1.928 20 0 EDADRP CCn1ccc(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)n1 ZINC000999144748 706558826 /nfs/dbraw/zinc/55/88/26/706558826.db2.gz NMDUWQSVOQKDCH-QZTJIDSGSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999355863 706845930 /nfs/dbraw/zinc/84/59/30/706845930.db2.gz YHFYDBPBKDESTM-DLBZAZTESA-N 2 0 347.507 1.764 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]C[C@@H](O)c2ccccc2)C1 ZINC000999342835 706854736 /nfs/dbraw/zinc/85/47/36/706854736.db2.gz OCAZAHIHAPYEAP-CTWPCTMYSA-N 2 0 345.487 1.641 20 0 EDADRP CN(C(=O)C1CC[NH+](C)CC1)C1CC([NH2+]CCC2CCOCC2)C1 ZINC000999344821 706856249 /nfs/dbraw/zinc/85/62/49/706856249.db2.gz UGPDWPRRMRIOHO-UHFFFAOYSA-N 2 0 337.508 1.724 20 0 EDADRP COc1cccc(C[NH2+][C@@H]2CCCN(C(=O)C3([NH+](C)C)CCC3)C2)n1 ZINC000999346832 706858566 /nfs/dbraw/zinc/85/85/66/706858566.db2.gz GHXDWVIUWWVGSU-MRXNPFEDSA-N 2 0 346.475 1.655 20 0 EDADRP CCOC1CC(C[NH2+][C@@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC000999373762 706868509 /nfs/dbraw/zinc/86/85/09/706868509.db2.gz HTHDVNFWJOQPTL-UPTPFMHGSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1csc(C[NH2+][C@@H]2CCCN(C(=O)[C@@H](C3CC3)[NH+](C)C)C2)n1 ZINC000999375022 706869091 /nfs/dbraw/zinc/86/90/91/706869091.db2.gz SWZMQYJBBBVPCP-GDBMZVCRSA-N 2 0 336.505 1.872 20 0 EDADRP COc1ccc(C[NH2+][C@H]2CCCN(C(=O)C[N@H+](C)C3CCC3)C2)nn1 ZINC000999364327 706878219 /nfs/dbraw/zinc/87/82/19/706878219.db2.gz MBIQMRUQBLONMF-HNNXBMFYSA-N 2 0 347.463 1.050 20 0 EDADRP CCn1c(C)nnc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC000999402102 706910098 /nfs/dbraw/zinc/91/00/98/706910098.db2.gz DJDWCHVVOQGJGN-JEYLPNPQSA-N 2 0 348.495 1.027 20 0 EDADRP Cc1cncc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@@H](C)C3)C2)c1 ZINC000999402090 706910378 /nfs/dbraw/zinc/91/03/78/706910378.db2.gz DHWHEBXDWCQKRF-RWBZWWBESA-N 2 0 330.476 1.811 20 0 EDADRP Cc1cnc(C[NH2+]C2CC(N(C)C(=O)C[N@H+]3CC[C@H](C)C3)C2)cn1 ZINC000999409101 706918775 /nfs/dbraw/zinc/91/87/75/706918775.db2.gz OIJQKFGTYLRFGA-KTAKPFMOSA-N 2 0 331.464 1.206 20 0 EDADRP Cc1cc(C)n(CC[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000999512414 707011167 /nfs/dbraw/zinc/01/11/67/707011167.db2.gz PPHRNNDTLPRIPU-QZTJIDSGSA-N 2 0 347.507 1.565 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCC2CCOCC2)C1 ZINC000999514052 707012857 /nfs/dbraw/zinc/01/28/57/707012857.db2.gz UEBUUTHGCRGRHH-ROUUACIJSA-N 2 0 337.508 1.868 20 0 EDADRP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC(NCc2nnc(C3CC3)o2)C1 ZINC000999682297 707167824 /nfs/dbraw/zinc/16/78/24/707167824.db2.gz NOXVWRGRIRRXOC-GRTSSRMGSA-N 2 0 347.463 1.368 20 0 EDADRP Cc1nocc1C[NH2+]C1CC(N(C)C(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000999698810 707225819 /nfs/dbraw/zinc/22/58/19/707225819.db2.gz LEOJDLRBQNRHLT-UHFFFAOYSA-N 2 0 343.431 1.837 20 0 EDADRP Cc1cncn1CC(=O)N(C)[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC001033264850 707286822 /nfs/dbraw/zinc/28/68/22/707286822.db2.gz DOJGKUZPYIAWQG-JKSUJKDBSA-N 2 0 334.464 1.539 20 0 EDADRP CCOC1CC(C[N@@H+]2CC[C@H](N(C)C(=O)Cn3cncc3C)C2)C1 ZINC001033265680 707289826 /nfs/dbraw/zinc/28/98/26/707289826.db2.gz IHRBZOBNYSDZDT-CGZBRXJRSA-N 2 0 334.464 1.539 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H]([NH2+]Cc2cnns2)C1 ZINC000999710330 707304525 /nfs/dbraw/zinc/30/45/25/707304525.db2.gz YBVAJALPAMBHRO-CYBMUJFWSA-N 2 0 342.428 1.580 20 0 EDADRP O=C([C@@H]1C[N@@H+]2CC3CC2(C3)CO1)N1CCC[C@@H]([NH2+]CC2CCC2)C1 ZINC000999764393 707318884 /nfs/dbraw/zinc/31/88/84/707318884.db2.gz JQTDSUOZPHIFJI-ISXWCOSWSA-N 2 0 333.476 1.230 20 0 EDADRP CN(C(=O)[C@@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CC2CCC2)C1 ZINC001033276280 707340480 /nfs/dbraw/zinc/34/04/80/707340480.db2.gz BVZYHLGMUDXRGO-VIHIWDAPSA-N 2 0 333.476 1.182 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033182687 707357538 /nfs/dbraw/zinc/35/75/38/707357538.db2.gz QVBACTYAACABQZ-ZWKOTPCHSA-N 2 0 349.519 1.822 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CCCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)C1 ZINC000999791280 707362569 /nfs/dbraw/zinc/36/25/69/707362569.db2.gz JYSNSGATRFWFEY-WMZOPIPTSA-N 2 0 345.491 1.375 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2cnc(C)cn2)C1 ZINC000999875864 707522469 /nfs/dbraw/zinc/52/24/69/707522469.db2.gz BYMZOKXPKXCENL-VJFUWPCTSA-N 2 0 345.491 1.738 20 0 EDADRP C[C@@H](NCc1ncnn1C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001004875740 707541889 /nfs/dbraw/zinc/54/18/89/707541889.db2.gz HAPWTFZJASHLLQ-GDBMZVCRSA-N 2 0 348.495 1.159 20 0 EDADRP O=C([C@@H]1CCC[C@H]2CCC[NH+]21)N1CC[C@H]2C[N@H+](CCCO)C[C@H]2CC1 ZINC000946818127 707574399 /nfs/dbraw/zinc/57/43/99/707574399.db2.gz FEMXQBGKTMPAML-RDGPPVDQSA-N 2 0 349.519 1.556 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)NCc1cn([C@@H]2CC[NH+](CCC3CC3)C2)nn1 ZINC000999964242 707629758 /nfs/dbraw/zinc/62/97/58/707629758.db2.gz WWXIGQLPDPMTHX-SJORKVTESA-N 2 0 346.479 1.035 20 0 EDADRP Cc1nn(C)cc1C[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001033359685 707685930 /nfs/dbraw/zinc/68/59/30/707685930.db2.gz AYUFIHUSBMEPKN-ZVZYQTTQSA-N 2 0 347.507 1.492 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001033392073 707725439 /nfs/dbraw/zinc/72/54/39/707725439.db2.gz YLIKNPNJTTVBMH-INIZCTEOSA-N 2 0 348.491 1.920 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@@H+]2CC[C@H]1CCCCO1)C12CC[NH+](CC1)C2 ZINC001032733576 707741410 /nfs/dbraw/zinc/74/14/10/707741410.db2.gz BAOQJOBAJKKJEW-YESZJQIVSA-N 2 0 333.476 1.327 20 0 EDADRP Cc1ccc(CC[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)C23CC[NH+](CC2)C3)cc1 ZINC001032733727 707741472 /nfs/dbraw/zinc/74/14/72/707741472.db2.gz IFLARVABRQOGCZ-OALUTQOASA-N 2 0 339.483 1.918 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1C[N@H+]2C[C@@H]1CCC(F)(F)C1)C12CC[NH+](CC1)C2 ZINC001032733865 707748310 /nfs/dbraw/zinc/74/83/10/707748310.db2.gz KBFNQCCKANDJCB-ILXRZTDVSA-N 2 0 339.430 1.803 20 0 EDADRP C[C@@H]([NH2+]Cc1cnns1)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001004984554 707832493 /nfs/dbraw/zinc/83/24/93/707832493.db2.gz WXONDVGIXBTNRG-HIFRSBDPSA-N 2 0 349.504 1.493 20 0 EDADRP C[C@@H](O)C[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001033423998 707841353 /nfs/dbraw/zinc/84/13/53/707841353.db2.gz WHAIMIJWQXRALX-QAPCUYQASA-N 2 0 333.476 1.318 20 0 EDADRP C[C@@H]([NH2+]Cc1ccnn1C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004992287 707873294 /nfs/dbraw/zinc/87/32/94/707873294.db2.gz NTFQXCJZGHXDIP-NVXWUHKLSA-N 2 0 333.480 1.375 20 0 EDADRP Cc1ccc(OCCN2C[C@@H]3C[C@H]2CN3C(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC001032781508 707968871 /nfs/dbraw/zinc/96/88/71/707968871.db2.gz YABVZSUWWMTZDH-BZSNNMDCSA-N 2 0 343.471 1.611 20 0 EDADRP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC001033490561 707985275 /nfs/dbraw/zinc/98/52/75/707985275.db2.gz UKYDTBOTFVIDBN-KRWDZBQOSA-N 2 0 335.496 1.637 20 0 EDADRP CO[C@@H](C)C[N@H+]1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001000845243 708072641 /nfs/dbraw/zinc/07/26/41/708072641.db2.gz SHTNKNVEARAJKK-ZDUSSCGKSA-N 2 0 328.416 1.960 20 0 EDADRP Cc1noc(C)c1C[NH+]1CC=C(CNC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001153617 708108197 /nfs/dbraw/zinc/10/81/97/708108197.db2.gz XMEUVCWUTFQISG-GUYCJALGSA-N 2 0 346.475 1.737 20 0 EDADRP CO[C@@H](C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)CC1)C1CCC1 ZINC001005184566 708111364 /nfs/dbraw/zinc/11/13/64/708111364.db2.gz ODHMVITXZZRLDK-MSOLQXFVSA-N 2 0 337.508 1.819 20 0 EDADRP COc1cc(C[NH+]2CCC(N(C)C(=O)[C@@H]3CCC[N@@H+]3C)CC2)ccn1 ZINC001005179928 708122668 /nfs/dbraw/zinc/12/26/68/708122668.db2.gz PBZRLFMLUZBJPB-KRWDZBQOSA-N 2 0 346.475 1.607 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CNc2ccnc(C)n2)C1 ZINC001061014317 708175418 /nfs/dbraw/zinc/17/54/18/708175418.db2.gz LDWHTXXXTZJDCS-HZPDHXFCSA-N 2 0 331.464 1.920 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N(C)[C@H]2CC[N@H+](C[C@H]3CCOC3)C2)CC1 ZINC001033548662 708180294 /nfs/dbraw/zinc/18/02/94/708180294.db2.gz SLUMAAAKTJYHBR-AEFFLSMTSA-N 2 0 337.508 1.676 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CC2CCOCC2)C1 ZINC001033690078 708519856 /nfs/dbraw/zinc/51/98/56/708519856.db2.gz PDSZQJOWWZCDAI-QZTJIDSGSA-N 2 0 337.508 1.820 20 0 EDADRP O=C(NCC1CC[NH+](Cc2ccns2)CC1)C12CC[NH+](CC1)C2 ZINC001002042855 708533158 /nfs/dbraw/zinc/53/31/58/708533158.db2.gz KZXPFVZKYCRVNB-UHFFFAOYSA-N 2 0 334.489 1.567 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCCO)CC1 ZINC001002038232 708559496 /nfs/dbraw/zinc/55/94/96/708559496.db2.gz UZILPZITIBJAPP-SFHVURJKSA-N 2 0 339.524 1.852 20 0 EDADRP CC[C@@H](C[NH+]1CCC(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1)OC ZINC001002090762 708598560 /nfs/dbraw/zinc/59/85/60/708598560.db2.gz VLSUSFLCQPMZHF-HKUYNNGSSA-N 2 0 337.508 1.726 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)NCC2CC[NH+](C[C@@H]3CC(C)(C)CO3)CC2)C1 ZINC001002128822 708645440 /nfs/dbraw/zinc/64/54/40/708645440.db2.gz ZQQUHLBFSSNZMB-SJORKVTESA-N 2 0 337.508 1.581 20 0 EDADRP CCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCc2cnn(CC)c2)C1 ZINC001033773968 708672816 /nfs/dbraw/zinc/67/28/16/708672816.db2.gz IJDIBFJRVWYRKH-ROUUACIJSA-N 2 0 347.507 1.463 20 0 EDADRP CCN(C(=O)[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCc2nc(C)no2)C1 ZINC001033775268 708675588 /nfs/dbraw/zinc/67/55/88/708675588.db2.gz MFDKLIVXLVMMHR-JKSUJKDBSA-N 2 0 349.479 1.328 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001005384660 708822403 /nfs/dbraw/zinc/82/24/03/708822403.db2.gz NGLXJTFODSGTRI-SJLPKXTDSA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC[NH+](CCCF)CC1 ZINC001005424473 708942406 /nfs/dbraw/zinc/94/24/06/708942406.db2.gz JTZORCVJHMZNMT-HZPDHXFCSA-N 2 0 327.444 1.132 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC001002472519 709005731 /nfs/dbraw/zinc/00/57/31/709005731.db2.gz BKXGRETUMDMRHD-OAHLLOKOSA-N 2 0 339.871 1.211 20 0 EDADRP CCN(C(=O)c1ccc(C[NH+](C)C)cc1)[C@@H]1CC[N@H+](CCCO)C1 ZINC001033990875 709197960 /nfs/dbraw/zinc/19/79/60/709197960.db2.gz ZDNBXTNYNMKMAS-GOSISDBHSA-N 2 0 333.476 1.667 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@@H](OC)C2CCC2)C1 ZINC001034018434 709235639 /nfs/dbraw/zinc/23/56/39/709235639.db2.gz ZHPFWTWOSORVCI-QZTJIDSGSA-N 2 0 349.519 1.820 20 0 EDADRP Cc1nocc1CN1CCC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001002793594 709401720 /nfs/dbraw/zinc/40/17/20/709401720.db2.gz XDGBAJMKWSVKJW-QGZVFWFLSA-N 2 0 334.464 1.936 20 0 EDADRP O=C(NC1CC[NH+](C[C@H]2CCCCO2)CC1)[C@H]1C[NH+]2CCC1CC2 ZINC001002835641 709447455 /nfs/dbraw/zinc/44/74/55/709447455.db2.gz ZEULLHLIHJIABF-MSOLQXFVSA-N 2 0 335.492 1.478 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](C[C@H](O)c2ccc(F)cc2)C1 ZINC001032828378 709452546 /nfs/dbraw/zinc/45/25/46/709452546.db2.gz QWOJMLFOJYPRHF-BBWFWOEESA-N 2 0 335.423 1.144 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C1)C1CCCC1 ZINC001032829786 709460304 /nfs/dbraw/zinc/46/03/04/709460304.db2.gz QRHSVJMPSSYYLV-OKZBNKHCSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](Cc3ccc(CO)cc3)CC2)CC[N@@H+]1C ZINC001002852626 709462895 /nfs/dbraw/zinc/46/28/95/709462895.db2.gz RLGKNUDKENVNRL-DNVCBOLYSA-N 2 0 345.487 1.600 20 0 EDADRP O=C(NC1CC[NH+](C/C=C/Cl)CC1)[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001002875779 709483048 /nfs/dbraw/zinc/48/30/48/709483048.db2.gz QZKAVCAKBHTCON-BRSDGGEWSA-N 2 0 327.856 1.183 20 0 EDADRP Cc1ncoc1C[N@@H+]1CCCC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001034209745 709559305 /nfs/dbraw/zinc/55/93/05/709559305.db2.gz DGQBTDKOHAVGGD-IAGOWNOFSA-N 2 0 346.475 1.796 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CCOC2CCC2)C1)[C@H]1C[NH+]2CCC1CC2 ZINC001034210293 709559877 /nfs/dbraw/zinc/55/98/77/709559877.db2.gz GKBLXAAFHGKZIF-MJGOQNOKSA-N 2 0 349.519 1.868 20 0 EDADRP C[NH+](C)CCc1ccccc1C(=O)N[C@@H]1CCCC[N@H+](CCO)C1 ZINC001034330269 709784651 /nfs/dbraw/zinc/78/46/51/709784651.db2.gz LSLQVNAMMVROCV-QGZVFWFLSA-N 2 0 333.476 1.367 20 0 EDADRP CC[NH+]1CCC([NH2+]C[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000702768473 709844857 /nfs/dbraw/zinc/84/48/57/709844857.db2.gz LQFCQMXUAXFPKT-ZFWWWQNUSA-N 2 0 327.469 1.288 20 0 EDADRP CO[C@H]1C[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)C12CCC2 ZINC000453189730 709957056 /nfs/dbraw/zinc/95/70/56/709957056.db2.gz ZITYKIKCQFZEJR-JYJNAYRXSA-N 2 0 325.497 1.626 20 0 EDADRP Cn1cc(C[N@@H+]2CCCC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C2)cn1 ZINC001034430481 709997264 /nfs/dbraw/zinc/99/72/64/709997264.db2.gz FXQNLAHHTMZEOQ-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP O=C(NC1CCN(Cc2cncs2)CC1)[C@@H]1CCc2cncn2C1 ZINC001003195538 710130907 /nfs/dbraw/zinc/13/09/07/710130907.db2.gz ZABLEJOYDOCIGL-CYBMUJFWSA-N 2 0 345.472 1.683 20 0 EDADRP Cc1ncccc1C[NH+]1CCCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001034526115 710177408 /nfs/dbraw/zinc/17/74/08/710177408.db2.gz ULLBEWBFHQANFW-MSOLQXFVSA-N 2 0 330.476 1.812 20 0 EDADRP CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000922161403 710221475 /nfs/dbraw/zinc/22/14/75/710221475.db2.gz AQOJFBCCBLWDGW-GOSISDBHSA-N 2 0 330.476 1.258 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1)C1CCC1 ZINC001032840117 710289238 /nfs/dbraw/zinc/28/92/38/710289238.db2.gz SXZVQKQHBMOKEA-DZJNRPSUSA-N 2 0 337.508 1.722 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001034647588 710324315 /nfs/dbraw/zinc/32/43/15/710324315.db2.gz MSKMRCFZRIKZLF-VDHUWJSZSA-N 2 0 347.507 1.586 20 0 EDADRP Cn1cncc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649036 710325518 /nfs/dbraw/zinc/32/55/18/710325518.db2.gz POGLPBWICKEQGJ-JFIYKMOQSA-N 2 0 345.491 1.279 20 0 EDADRP C[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000922189696 710391202 /nfs/dbraw/zinc/39/12/02/710391202.db2.gz BOYYAMPDQAWUDN-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP Cc1cncc(C[NH+]2CCC(NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)c1 ZINC001003624084 710453535 /nfs/dbraw/zinc/45/35/35/710453535.db2.gz LAMKUCAPAXTNEW-INIZCTEOSA-N 2 0 330.476 1.955 20 0 EDADRP COc1cc(C[NH+]2CCC(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)ccn1 ZINC001003626420 710455471 /nfs/dbraw/zinc/45/54/71/710455471.db2.gz OEHWPGSWIVAFRN-OAHLLOKOSA-N 2 0 346.475 1.513 20 0 EDADRP CCn1cc(CC[NH+]2CCC(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)CC2)cn1 ZINC001003632798 710461221 /nfs/dbraw/zinc/46/12/21/710461221.db2.gz CIXQUAKKURLQFE-QAPCUYQASA-N 2 0 347.507 1.224 20 0 EDADRP O=C(NC1CC[NH+](CCn2cccn2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001003776022 710545040 /nfs/dbraw/zinc/54/50/40/710545040.db2.gz GDNXSRQCKFNPEU-ROUUACIJSA-N 2 0 345.491 1.481 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3CCCC[N@H+]3C)CC2)cn1 ZINC001034674819 710625422 /nfs/dbraw/zinc/62/54/22/710625422.db2.gz SKGJOHVGYXXYOF-KZNAEPCWSA-N 2 0 345.491 1.786 20 0 EDADRP Cc1nnc(C[NH2+][C@H]2CC[C@H](NC(=O)C34CCC[NH+]3CCC4)CC2)[nH]1 ZINC001034682744 710687145 /nfs/dbraw/zinc/68/71/45/710687145.db2.gz WBDMJSDJWONSEA-SHTZXODSSA-N 2 0 346.479 1.259 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1)c1nncn1C ZINC001034733473 710913923 /nfs/dbraw/zinc/91/39/23/710913923.db2.gz CSRHBEUMOMFGJM-FZKCQIBNSA-N 2 0 348.495 1.235 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CC[C@@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1)c1nncn1C ZINC001034733474 710913942 /nfs/dbraw/zinc/91/39/42/710913942.db2.gz CSRHBEUMOMFGJM-KLHDSHLOSA-N 2 0 348.495 1.235 20 0 EDADRP Cc1nnc(CN[C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@@H]3C)CC2)o1 ZINC001034735369 710920509 /nfs/dbraw/zinc/92/05/09/710920509.db2.gz GAPAOXHCEVLRFF-QEJZJMRPSA-N 2 0 335.452 1.379 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CC[C@H](NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)CC2)o1 ZINC001034736797 710924138 /nfs/dbraw/zinc/92/41/38/710924138.db2.gz DAYILIPBTDSRHO-QEWYBTABSA-N 2 0 334.464 1.698 20 0 EDADRP Cc1cc(C)n(CC[N@H+]2CC[C@H](N(C)C(=O)[C@@H]3CCC[NH+]3C)C2)n1 ZINC001032958516 710951863 /nfs/dbraw/zinc/95/18/63/710951863.db2.gz BIFNNWQNOCMYAO-IRXDYDNUSA-N 2 0 333.480 1.127 20 0 EDADRP Cn1cc(CC[NH2+][C@H]2CC[C@H](NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC001034775571 711049292 /nfs/dbraw/zinc/04/92/92/711049292.db2.gz DFIVJXBKUNQAGU-KBAYOESNSA-N 2 0 347.507 1.321 20 0 EDADRP Cc1cccnc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001034791960 711117567 /nfs/dbraw/zinc/11/75/67/711117567.db2.gz ZXWQRTRHFNFLTJ-BRWVUGGUSA-N 2 0 330.476 1.859 20 0 EDADRP CC1(C)CO[C@@H](C[NH+]2CCC(NC(=O)C34CC[NH+](CC3)C4)CC2)C1 ZINC001003985739 711190666 /nfs/dbraw/zinc/19/06/66/711190666.db2.gz PMRAJJJONUWNJQ-MRXNPFEDSA-N 2 0 335.492 1.478 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1cncn1C ZINC001034935617 711362850 /nfs/dbraw/zinc/36/28/50/711362850.db2.gz AJQJUHYBFXDQDD-NVXWUHKLSA-N 2 0 333.480 1.374 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]Cc1ocnc1C ZINC001034955028 711421752 /nfs/dbraw/zinc/42/17/52/711421752.db2.gz YGNQJDNGRCEOBY-CVEARBPZSA-N 2 0 334.464 1.938 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1ccc(C(N)=O)cc1)C2 ZINC000922388809 711432562 /nfs/dbraw/zinc/43/25/62/711432562.db2.gz RLJDQIHAJVBMSF-VXNCWWDNSA-N 2 0 331.460 1.355 20 0 EDADRP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(F)cn1)C1CC1 ZINC001034959284 711433726 /nfs/dbraw/zinc/43/37/26/711433726.db2.gz WFOCOOCWDRPBIP-IAGOWNOFSA-N 2 0 334.439 1.642 20 0 EDADRP CC[N@@H+]1C[C@@]2(C[C@@H](O)[C@H]([NH2+]Cc3ccc(C(N)=O)cc3)C2)[C@@H]1C(C)C ZINC000922394346 711460656 /nfs/dbraw/zinc/46/06/56/711460656.db2.gz VOARBEKYTLLVBZ-FTEYMNFISA-N 2 0 345.487 1.745 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NC2CCN(Cc3cc(F)cc(F)c3)CC2)C1 ZINC001004144989 711553699 /nfs/dbraw/zinc/55/36/99/711553699.db2.gz RZKLFUQVPHNSNL-AWEZNQCLSA-N 2 0 337.414 1.997 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)C2)CC1)c1ccccc1 ZINC001004149174 711562975 /nfs/dbraw/zinc/56/29/75/711562975.db2.gz FRHJXXYTYVRQPP-HKUYNNGSSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CC(=O)N1CCC([C@H]2CCC[NH+]2CCCO)CC1 ZINC001004549484 711960455 /nfs/dbraw/zinc/96/04/55/711960455.db2.gz ZKHHNGDYEPAJCI-SJLPKXTDSA-N 2 0 337.508 1.556 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)[C@@H]1CCN(Cc2ccon2)C1 ZINC001033146155 712010325 /nfs/dbraw/zinc/01/03/25/712010325.db2.gz OBAJWACMRBWYEP-IAGOWNOFSA-N 2 0 334.464 1.970 20 0 EDADRP CC[C@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3cncn3C)C[C@H]2CC1)[NH+](C)C ZINC000946642442 712128186 /nfs/dbraw/zinc/12/81/86/712128186.db2.gz JNKPZTCTWKFXEB-SOLBZPMBSA-N 2 0 347.507 1.431 20 0 EDADRP C[C@@H](O)C[N@H+]1C[C@@H]2CCN(C(=O)C34CCC[NH+]3CCC4)CC[C@@H]2C1 ZINC000946662975 712291820 /nfs/dbraw/zinc/29/18/20/712291820.db2.gz TZZBPRGRPQFQML-ZACQAIPSSA-N 2 0 335.492 1.166 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@@H](C)N2CCN(C)CC2)[NH+]2CCCC2)o1 ZINC000101678502 219155028 /nfs/dbraw/zinc/15/50/28/219155028.db2.gz FOHYPLFNYZYQEN-IAGOWNOFSA-N 2 0 348.491 1.477 20 0 EDADRP CC[C@@H](C(=O)N1CCN(c2ncc[nH]2)CC1)[N@H+](C)Cc1ccccc1 ZINC000560418575 306267991 /nfs/dbraw/zinc/26/79/91/306267991.db2.gz YWLQVPURNXXTPB-KRWDZBQOSA-N 2 0 341.459 1.969 20 0 EDADRP C[NH+]1CCCN(Cc2ccc(CN3CCC[N@@H+](C)CC3)cc2)CC1 ZINC000560470293 306270217 /nfs/dbraw/zinc/27/02/17/306270217.db2.gz SYPORHMDDBKWEV-UHFFFAOYSA-N 2 0 330.520 1.962 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339274841 539705082 /nfs/dbraw/zinc/70/50/82/539705082.db2.gz JYNVFTKFWAGDKM-QZTJIDSGSA-N 2 0 338.540 1.641 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000339275388 539705458 /nfs/dbraw/zinc/70/54/58/539705458.db2.gz RDEKXTWXPCRSAM-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP C[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)C2)C1 ZINC000561773981 306291048 /nfs/dbraw/zinc/29/10/48/306291048.db2.gz RPNUUWCZVNMSBH-QUCCMNQESA-N 2 0 342.487 1.848 20 0 EDADRP Cc1ccc(NC(=O)N2CCN(C)C[C@H]2C[NH3+])c(Br)c1 ZINC000562746667 306307608 /nfs/dbraw/zinc/30/76/08/306307608.db2.gz MIFSNDWCCDDOOM-LLVKDONJSA-N 2 0 341.253 1.864 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@@H]3[C@H](C2)NC(=O)N3C2CC[NH2+]CC2)c1 ZINC000562751375 306307949 /nfs/dbraw/zinc/30/79/49/306307949.db2.gz OIXBBMYBJNNHSM-ZWKOTPCHSA-N 2 0 344.459 1.415 20 0 EDADRP O=C(NCC[C@@H]1CCC[NH2+]C1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000562794263 306309302 /nfs/dbraw/zinc/30/93/02/306309302.db2.gz DQVRXTHGCPDOJU-FUHWJXTLSA-N 2 0 330.476 1.950 20 0 EDADRP CC1=CC[N@H+](CCNC(=O)NC[C@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562806952 306309717 /nfs/dbraw/zinc/30/97/17/306309717.db2.gz PIWIQVFRTLOECH-GOSISDBHSA-N 2 0 328.460 1.825 20 0 EDADRP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000562982755 306314714 /nfs/dbraw/zinc/31/47/14/306314714.db2.gz JQUCFZOKLXTICZ-TXCZRRACSA-N 2 0 348.495 1.119 20 0 EDADRP Cc1cc(NC(=O)COC2C[NH2+]C2)cc(N2CC[NH+](C(C)C)CC2)c1 ZINC000563096733 306318670 /nfs/dbraw/zinc/31/86/70/306318670.db2.gz UPSDLEWAVLDYBT-UHFFFAOYSA-N 2 0 346.475 1.452 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N=c1ccn(C2CC[NH+](C)CC2)[nH]1 ZINC000491325132 540042194 /nfs/dbraw/zinc/04/21/94/540042194.db2.gz ZPENRJKHAKPBPH-AWEZNQCLSA-N 2 0 336.484 1.424 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)C3CC[NH+]([C@@H]4CCSC4)CC3)[C@@H]2C1 ZINC000563390153 306331521 /nfs/dbraw/zinc/33/15/21/306331521.db2.gz OKUVJPUWFHNOGO-DJIMGWMZSA-N 2 0 337.533 1.757 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)C1 ZINC000563559307 306338914 /nfs/dbraw/zinc/33/89/14/306338914.db2.gz UYRXBMAXVPEDIF-YLFCFFPRSA-N 2 0 338.496 1.112 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CCC([NH+]2CCCC2)CC1 ZINC000079391901 138261318 /nfs/dbraw/zinc/26/13/18/138261318.db2.gz UXUCGHFJNBTMGU-UHFFFAOYSA-N 2 0 338.496 1.369 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](C(=O)NC)C2)CC1 ZINC000093361106 138293205 /nfs/dbraw/zinc/29/32/05/138293205.db2.gz YUTWTBACTZPKBY-SFHVURJKSA-N 2 0 344.503 1.787 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000423414271 283231951 /nfs/dbraw/zinc/23/19/51/283231951.db2.gz MMNOODTYPVHBHX-HZPDHXFCSA-N 2 0 340.512 1.010 20 0 EDADRP CC(C)[NH2+]CCCNC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000563648704 306343754 /nfs/dbraw/zinc/34/37/54/306343754.db2.gz PGPUSHJDHLROQH-UHFFFAOYSA-N 2 0 340.512 1.071 20 0 EDADRP CN(CCC[N@H+](C)C[C@H]1CN(c2ccccc2)CCO1)CC[NH+](C)C ZINC000563969193 306353802 /nfs/dbraw/zinc/35/38/02/306353802.db2.gz MAFQUBOSNREGJQ-FQEVSTJZSA-N 2 0 348.535 1.707 20 0 EDADRP FC(F)(F)c1ccc(N2CC[NH+](CCN3CC[NH2+]CC3)CC2)cc1 ZINC000564329708 306358685 /nfs/dbraw/zinc/35/86/85/306358685.db2.gz PGTQYWPFWFNZHP-UHFFFAOYSA-N 2 0 342.409 1.733 20 0 EDADRP C[C@H](O)[C@@H]1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)ncn2)C1 ZINC000564544333 306360274 /nfs/dbraw/zinc/36/02/74/306360274.db2.gz INRPUADYSMJTOE-DZGCQCFKSA-N 2 0 338.415 1.944 20 0 EDADRP C[NH+](C)Cc1cc(CNC(=O)COC2CCC([NH3+])CC2)ccc1F ZINC000564654191 306362240 /nfs/dbraw/zinc/36/22/40/306362240.db2.gz ZQCDMJLGFXHVIJ-UHFFFAOYSA-N 2 0 337.439 1.790 20 0 EDADRP Cc1ccccc1CN(C)C(=O)C[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000129796678 223092945 /nfs/dbraw/zinc/09/29/45/223092945.db2.gz KOUWHCRQGUEKFZ-UHFFFAOYSA-N 2 0 346.519 1.523 20 0 EDADRP CC(C)[C@@H](Cn1cccn1)[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414199753 304105870 /nfs/dbraw/zinc/10/58/70/304105870.db2.gz RGDHYMMOBRHLSS-GOSISDBHSA-N 2 0 349.523 1.294 20 0 EDADRP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1(C)C ZINC000414200516 304105628 /nfs/dbraw/zinc/10/56/28/304105628.db2.gz RYIABPDJAGYCGX-GVDBMIGSSA-N 2 0 339.524 1.432 20 0 EDADRP CC[C@@H](COC)[NH2+]Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000414331287 304107083 /nfs/dbraw/zinc/10/70/83/304107083.db2.gz SUBQXKFWRKEECZ-SFHVURJKSA-N 2 0 333.476 1.899 20 0 EDADRP CC(C)(CNC(=O)NC[C@@H]1CCC[NH2+]1)[N@@H+]1CCc2ccccc2C1 ZINC000565646560 306388764 /nfs/dbraw/zinc/38/87/64/306388764.db2.gz FASKSCQOLFUGCJ-KRWDZBQOSA-N 2 0 330.476 1.875 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000073291257 216374216 /nfs/dbraw/zinc/37/42/16/216374216.db2.gz GRHBBGYQRAWVRW-KRWDZBQOSA-N 2 0 346.519 1.894 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1)c1ccccc1 ZINC000565890223 306394078 /nfs/dbraw/zinc/39/40/78/306394078.db2.gz NDFAFSMYGDZXIR-SQNIBIBYSA-N 2 0 331.460 1.516 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)c1 ZINC000565894221 306394384 /nfs/dbraw/zinc/39/43/84/306394384.db2.gz GUFFBPNUXITHOA-OAHLLOKOSA-N 2 0 328.420 1.344 20 0 EDADRP COc1ccc(Br)cc1C[NH2+]CCCN1CC[NH2+]CC1 ZINC000414784623 304140496 /nfs/dbraw/zinc/14/04/96/304140496.db2.gz SVNYPQFYYRHGJC-UHFFFAOYSA-N 2 0 342.281 1.843 20 0 EDADRP CN(CCC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1)c1cc[nH+]cc1 ZINC000566632226 306423044 /nfs/dbraw/zinc/42/30/44/306423044.db2.gz YPKMHHPZDSETBW-KRWDZBQOSA-N 2 0 346.475 1.479 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000414825826 304145150 /nfs/dbraw/zinc/14/51/50/304145150.db2.gz HVVOBNFJRXZPAJ-KRWDZBQOSA-N 2 0 330.476 1.444 20 0 EDADRP O=C(N[C@@H]1C[NH2+]CCC1(F)F)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000418758970 284125173 /nfs/dbraw/zinc/12/51/73/284125173.db2.gz KAJIKGBQDWDEOW-BPLDGKMQSA-N 2 0 342.434 1.642 20 0 EDADRP FC(F)(F)[C@@H](C[NH2+][C@H]1CCc2ccccc2C1)N1CC[NH2+]CC1 ZINC000414998929 304149564 /nfs/dbraw/zinc/14/95/64/304149564.db2.gz ZYAYBUTXSKWWBP-JKSUJKDBSA-N 2 0 327.394 1.970 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+][C@H](C)[C@H](C)[NH3+])CC2)cc1 ZINC000415023208 304151664 /nfs/dbraw/zinc/15/16/64/304151664.db2.gz WHPUQOYLSHPJOR-QWHCGFSZSA-N 2 0 341.477 1.174 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CC[C@@H]3CC[N@H+](C)C[C@@H]32)c1 ZINC000415029522 304152592 /nfs/dbraw/zinc/15/25/92/304152592.db2.gz DROQYXNEQRVJCD-RDJZCZTQSA-N 2 0 344.459 1.287 20 0 EDADRP CN(C(=O)Nc1ccc(CC[NH+]2CCSCC2)cc1)C1C[NH2+]C1 ZINC000415065402 304156385 /nfs/dbraw/zinc/15/63/85/304156385.db2.gz GEQBBLFNDUSLGF-UHFFFAOYSA-N 2 0 334.489 1.713 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NCC2(C[NH+](C)C)CCCC2)cc1 ZINC000415067456 304156592 /nfs/dbraw/zinc/15/65/92/304156592.db2.gz PIRGNUTVJROHGX-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP COc1cc(CN2CC[C@H]([NH2+]C[C@@]3(C)CC[NH2+]C3)C2)cc(OC)c1 ZINC000415077084 304157914 /nfs/dbraw/zinc/15/79/14/304157914.db2.gz DSMBJZIBQJWPLL-LPHOPBHVSA-N 2 0 333.476 1.867 20 0 EDADRP CN1CC[NH2+]C[C@H]1CNC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000567146474 306439494 /nfs/dbraw/zinc/43/94/94/306439494.db2.gz WVCGIKLQWIECJE-ROUUACIJSA-N 2 0 345.491 1.026 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCN1CCN(c2ncccn2)CC1 ZINC000415095015 304159180 /nfs/dbraw/zinc/15/91/80/304159180.db2.gz YOHUWUAAYDKQNT-MSOLQXFVSA-N 2 0 346.523 1.499 20 0 EDADRP COC(=O)[C@@]1(C)CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000184594191 284234789 /nfs/dbraw/zinc/23/47/89/284234789.db2.gz GBAPTBDRUJIMHE-LPHOPBHVSA-N 2 0 347.459 1.291 20 0 EDADRP C[C@H](C[NH+]1CCCCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415126162 304162018 /nfs/dbraw/zinc/16/20/18/304162018.db2.gz UADUFSCWFSYYPS-CQSZACIVSA-N 2 0 344.459 1.609 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000415138074 304163599 /nfs/dbraw/zinc/16/35/99/304163599.db2.gz GKYUEXVDVVFYPO-PBHICJAKSA-N 2 0 344.459 1.430 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000415142688 304164005 /nfs/dbraw/zinc/16/40/05/304164005.db2.gz RKHMTCCOWXONMO-INIZCTEOSA-N 2 0 344.459 1.430 20 0 EDADRP Cc1ccc(C[N@@H+]2CC[C@H]3[C@@H](C2)NC(=O)N3C2CC[NH2+]CC2)cc1 ZINC000415142053 304163847 /nfs/dbraw/zinc/16/38/47/304163847.db2.gz QQGJQCVWFBEMKQ-MSOLQXFVSA-N 2 0 328.460 1.715 20 0 EDADRP COc1cc(C[NH+]2CCC(O)(C[NH3+])CC2)ccc1OCC(F)(F)F ZINC000415142242 304163950 /nfs/dbraw/zinc/16/39/50/304163950.db2.gz PPLZPDNEHWYWGZ-UHFFFAOYSA-N 2 0 348.365 1.922 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415157695 304167397 /nfs/dbraw/zinc/16/73/97/304167397.db2.gz YGQZJIDXROHRNJ-YOEHRIQHSA-N 2 0 346.475 1.533 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000236665116 139027920 /nfs/dbraw/zinc/02/79/20/139027920.db2.gz IYDSTABSFAVXPA-SFHVURJKSA-N 2 0 332.492 1.537 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+]C2CC[NH+](C(C)C)CC2)CC1 ZINC000236792344 139031410 /nfs/dbraw/zinc/03/14/10/139031410.db2.gz DKYUITIPZAVLCH-UHFFFAOYSA-N 2 0 331.526 1.653 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000236867823 139033839 /nfs/dbraw/zinc/03/38/39/139033839.db2.gz KEHPBWBKDNIEJT-HNNXBMFYSA-N 2 0 332.448 1.306 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000237202243 139043850 /nfs/dbraw/zinc/04/38/50/139043850.db2.gz ORHXMARFWSNQDY-UHFFFAOYSA-N 2 0 333.476 1.915 20 0 EDADRP COCC[NH2+]CC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000237202576 139044125 /nfs/dbraw/zinc/04/41/25/139044125.db2.gz MOADUXOHMAFJFG-HOTGVXAUSA-N 2 0 349.475 1.148 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)CC1 ZINC000237210264 139044344 /nfs/dbraw/zinc/04/43/44/139044344.db2.gz TZQSUFIFQMCJEK-SFHVURJKSA-N 2 0 346.475 1.393 20 0 EDADRP COc1ccc([C@@H]2[C@H](CNC(=O)[C@@H]3CC[NH2+]C3)CCC[N@@H+]2C)cc1 ZINC000237305224 139047218 /nfs/dbraw/zinc/04/72/18/139047218.db2.gz ZGJMTWZBGVFZBT-LZLYRXPVSA-N 2 0 331.460 1.804 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000237417901 139050657 /nfs/dbraw/zinc/05/06/57/139050657.db2.gz IBZFBMASTUQXFC-HKUYNNGSSA-N 2 0 344.503 1.927 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000237900931 139063246 /nfs/dbraw/zinc/06/32/46/139063246.db2.gz FTQHLKNLRJKMEO-OALUTQOASA-N 2 0 345.487 1.926 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CN(Cc3ccccc3)CCO2)C1 ZINC000237870486 139062351 /nfs/dbraw/zinc/06/23/51/139062351.db2.gz DCBMVQKTHGFYQC-KZNAEPCWSA-N 2 0 331.460 1.521 20 0 EDADRP O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000238007632 139066295 /nfs/dbraw/zinc/06/62/95/139066295.db2.gz MLNDLPZVXWBQGV-MRXNPFEDSA-N 2 0 327.472 1.908 20 0 EDADRP [NH3+]C[C@@H](C(=O)NCCN1CCc2sccc2C1)c1ccccc1 ZINC000238024044 139066820 /nfs/dbraw/zinc/06/68/20/139066820.db2.gz FCFOSNKOQKXGQW-MRXNPFEDSA-N 2 0 329.469 1.965 20 0 EDADRP C[C@H](C(=O)N1CCC([NH+]2CCO[C@H](C)C2)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245203105 139071207 /nfs/dbraw/zinc/07/12/07/139071207.db2.gz ZLGNDOMJBUZVPG-YYIAUSFCSA-N 2 0 337.508 1.959 20 0 EDADRP CC(C)CNC(=O)[C@@H](C)[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000245386628 139071345 /nfs/dbraw/zinc/07/13/45/139071345.db2.gz PGCORZAJVIEWNW-IXDOHACOSA-N 2 0 339.524 1.968 20 0 EDADRP [NH3+]CC1CCC([NH2+][C@H](Cc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000567710217 306460193 /nfs/dbraw/zinc/46/01/93/306460193.db2.gz SZBOGJTVOQYNOP-CTWPCTMYSA-N 2 0 345.487 1.564 20 0 EDADRP CN1CCO[C@H](CNC(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000246558813 139112807 /nfs/dbraw/zinc/11/28/07/139112807.db2.gz YYAMBTNYSSTKJV-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N(C)[C@H]2CC[N@@H+](C(C)C)C2)c1 ZINC000415305584 304190017 /nfs/dbraw/zinc/19/00/17/304190017.db2.gz WRIIWTSZRGBHEK-KRWDZBQOSA-N 2 0 346.475 1.676 20 0 EDADRP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H](OCCO)C3)c2cc1C ZINC000246739978 139119693 /nfs/dbraw/zinc/11/96/93/139119693.db2.gz ILHSEXJWWZNEPZ-IAGOWNOFSA-N 2 0 347.459 1.487 20 0 EDADRP C[NH2+]CCCNC(=O)C(=O)Nc1cccc2c1C[N@@H+]([C@H](C)C(C)C)C2 ZINC000415310609 304191182 /nfs/dbraw/zinc/19/11/82/304191182.db2.gz WWDWZNFLLOBBHJ-CQSZACIVSA-N 2 0 346.475 1.711 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCS(=O)(=O)NCc1ccccc1 ZINC000568252788 306477346 /nfs/dbraw/zinc/47/73/46/306477346.db2.gz VWGQVJVXXUHQDQ-ZBFHGGJFSA-N 2 0 325.478 1.084 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000248168113 139158852 /nfs/dbraw/zinc/15/88/52/139158852.db2.gz UEWRFUCBWNQLEN-NLWGTHIKSA-N 2 0 345.535 1.518 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC1CC[NH+](C)CC1 ZINC000248930813 139180872 /nfs/dbraw/zinc/18/08/72/139180872.db2.gz XTSIOZKTQQOYIG-CRAIPNDOSA-N 2 0 330.476 1.900 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3NC(C)=O)C2)CC1 ZINC000093133294 218195436 /nfs/dbraw/zinc/19/54/36/218195436.db2.gz KCLQTJHHQUFRFN-GOSISDBHSA-N 2 0 330.476 1.857 20 0 EDADRP [NH3+][C@H](C(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000261627050 139212433 /nfs/dbraw/zinc/21/24/33/139212433.db2.gz CQEMUMDJADBUDT-HKUYNNGSSA-N 2 0 345.487 1.421 20 0 EDADRP Cc1cccc(C)c1NC(=O)CN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000261644310 139214001 /nfs/dbraw/zinc/21/40/01/139214001.db2.gz AMRQVTYRIBOLKO-SFHVURJKSA-N 2 0 344.503 1.859 20 0 EDADRP CN(C)[C@H](CNC(=O)C1([NH3+])CCOCC1)c1c(F)cccc1F ZINC000261792207 139226490 /nfs/dbraw/zinc/22/64/90/139226490.db2.gz IEEGAJWXUODHNZ-CYBMUJFWSA-N 2 0 327.375 1.192 20 0 EDADRP CC(C)(CNC(=O)[C@H]([NH3+])C1CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000261772368 139224621 /nfs/dbraw/zinc/22/46/21/139224621.db2.gz MJANVEPKAYEPHP-GOSISDBHSA-N 2 0 345.487 1.693 20 0 EDADRP C[C@@]1(C[NH3+])CC[N@H+](CCC(=O)N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000261831257 139229753 /nfs/dbraw/zinc/22/97/53/139229753.db2.gz YTOSWXAIJWCUQS-IBGZPJMESA-N 2 0 348.466 1.535 20 0 EDADRP C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261812252 139228065 /nfs/dbraw/zinc/22/80/65/139228065.db2.gz LYEUWAVYVTWQSV-ZWKOTPCHSA-N 2 0 344.503 1.703 20 0 EDADRP Cc1ccc(Cl)cc1NC(=O)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261876679 139233208 /nfs/dbraw/zinc/23/32/08/139233208.db2.gz LYTXZFXIEAYURO-HNNXBMFYSA-N 2 0 336.867 1.566 20 0 EDADRP NS(=O)(=O)c1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000261971132 139240854 /nfs/dbraw/zinc/24/08/54/139240854.db2.gz ZAOQLMYOUPXJET-IRXDYDNUSA-N 2 0 331.441 1.611 20 0 EDADRP CC[NH+]1CCN(c2cccc(NC(=O)NC[C@@H]([NH3+])C3CC3)c2)CC1 ZINC000415503537 304225121 /nfs/dbraw/zinc/22/51/21/304225121.db2.gz VBEPVKGGRAKEAP-QGZVFWFLSA-N 2 0 331.464 1.687 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000355140354 183839581 /nfs/dbraw/zinc/83/95/81/183839581.db2.gz UAVOMUTZDUSIPK-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCOCC2)C1 ZINC000262129583 139253477 /nfs/dbraw/zinc/25/34/77/139253477.db2.gz GKEHTBKEZXIQNX-DLBZAZTESA-N 2 0 337.508 1.855 20 0 EDADRP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c1 ZINC000262120550 139252549 /nfs/dbraw/zinc/25/25/49/139252549.db2.gz MCGRTTVGNREPEP-GOSISDBHSA-N 2 0 325.460 1.865 20 0 EDADRP COC[C@H]([NH3+])C(=O)NCC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000262184984 139258140 /nfs/dbraw/zinc/25/81/40/139258140.db2.gz BWAMPGSAXVGQOL-INIZCTEOSA-N 2 0 339.867 1.642 20 0 EDADRP CC[NH+](CC)CCOc1ccccc1CNC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000416987724 251119616 /nfs/dbraw/zinc/11/96/16/251119616.db2.gz KIJYNPMZUKQUGZ-WBVHZDCISA-N 2 0 348.491 1.896 20 0 EDADRP CC(C)[C@H]([NH3+])C(=O)NCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000262317718 139269534 /nfs/dbraw/zinc/26/95/34/139269534.db2.gz ZXIAXBGFBAINMS-AEFFLSMTSA-N 2 0 346.475 1.039 20 0 EDADRP [NH3+]CCCCNC(=O)NCCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000417014760 251132429 /nfs/dbraw/zinc/13/24/29/251132429.db2.gz FWHUOSMPYVKSHT-UHFFFAOYSA-N 2 0 347.507 1.232 20 0 EDADRP Cc1ccc([C@H](CNC(=O)N2C[C@@H]3CC[NH2+]C[C@H]3C2)[NH+](C)C)cc1 ZINC000417309533 251154120 /nfs/dbraw/zinc/15/41/20/251154120.db2.gz IUCBDPWVNLEMID-BZSNNMDCSA-N 2 0 330.476 1.849 20 0 EDADRP C[C@H](C[NH3+])NC(=O)N[C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000417420589 251168428 /nfs/dbraw/zinc/16/84/28/251168428.db2.gz KECIDWXRUGTREM-CHWSQXEVSA-N 2 0 337.443 1.285 20 0 EDADRP COC[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000262365487 139273646 /nfs/dbraw/zinc/27/36/46/139273646.db2.gz VZXCDGMSXWGDKN-MPGHIAIKSA-N 2 0 333.476 1.754 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)C2(n3cccn3)CC[NH2+]CC2)([NH+](C)C)C1 ZINC000262367016 139273677 /nfs/dbraw/zinc/27/36/77/139273677.db2.gz VUEOCDREIQRZMZ-SJLPKXTDSA-N 2 0 347.507 1.589 20 0 EDADRP [NH3+]CC1(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000262369714 139273856 /nfs/dbraw/zinc/27/38/56/139273856.db2.gz VZEOPIJROYYQRH-KRWDZBQOSA-N 2 0 337.508 1.857 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417587832 251199796 /nfs/dbraw/zinc/19/97/96/251199796.db2.gz SNCQQWCTGZCZRI-HNNXBMFYSA-N 2 0 326.485 1.176 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262426127 139278296 /nfs/dbraw/zinc/27/82/96/139278296.db2.gz CPVSVIIGPNXVRS-QGZVFWFLSA-N 2 0 341.459 1.799 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000417705427 251236395 /nfs/dbraw/zinc/23/63/95/251236395.db2.gz SFRUOVYNRCGMDO-INIZCTEOSA-N 2 0 340.512 1.566 20 0 EDADRP Cc1ccc(N2CCC(NC(=O)N3C[C@@H](C[NH3+])C[C@@H]3C)CC2)nc1 ZINC000417724232 251242430 /nfs/dbraw/zinc/24/24/30/251242430.db2.gz DIUSQQOXIFKTKI-LSDHHAIUSA-N 2 0 331.464 1.738 20 0 EDADRP C[C@H](CN1CCN(c2ccccc2)CC1)NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417723804 251243276 /nfs/dbraw/zinc/24/32/76/251243276.db2.gz CNIWZZSPADGAJX-CVEARBPZSA-N 2 0 333.480 1.186 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000262444513 139279374 /nfs/dbraw/zinc/27/93/74/139279374.db2.gz VGDSSHPCTBWCCB-JFIYKMOQSA-N 2 0 345.487 1.638 20 0 EDADRP C[C@H]1C[C@@H](C[NH3+])CN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000417739663 251250384 /nfs/dbraw/zinc/25/03/84/251250384.db2.gz QQISFSMJFIFLHT-GJZGRUSLSA-N 2 0 330.476 1.464 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[C@H](O)C[NH2+]3)cc2)C1 ZINC000262485631 139281784 /nfs/dbraw/zinc/28/17/84/139281784.db2.gz YNWXJTVDSFKWEV-QGWWYQLQSA-N 2 0 345.487 1.504 20 0 EDADRP C[C@@H](C(=O)NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000262513138 139283506 /nfs/dbraw/zinc/28/35/06/139283506.db2.gz DXCOVOLGVSLOPG-SOLBZPMBSA-N 2 0 332.492 1.465 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H](CNC(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000418132197 251339785 /nfs/dbraw/zinc/33/97/85/251339785.db2.gz DRHKMRUYFAZKBA-QZTJIDSGSA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])cc2)CC1 ZINC000262546133 139285606 /nfs/dbraw/zinc/28/56/06/139285606.db2.gz VEPSHAWPQJJSMW-JKSUJKDBSA-N 2 0 332.492 1.424 20 0 EDADRP CC[C@@H]([NH3+])CNC(=O)N(CC[NH+](C)C)Cc1ccc(F)cc1F ZINC000418706115 251390341 /nfs/dbraw/zinc/39/03/41/251390341.db2.gz FDKXEKWJZLMCGH-CQSZACIVSA-N 2 0 328.407 1.775 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418707705 251390491 /nfs/dbraw/zinc/39/04/91/251390491.db2.gz BYVSSBSUZUFJKA-CABCVRRESA-N 2 0 326.485 1.256 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)CCCCCC[NH3+])ccn2)CC1 ZINC000262629392 139291294 /nfs/dbraw/zinc/29/12/94/139291294.db2.gz DFRKWZKENOLSJM-UHFFFAOYSA-N 2 0 333.480 1.359 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000262658711 139293872 /nfs/dbraw/zinc/29/38/72/139293872.db2.gz WAWSENTVISFAGZ-SJORKVTESA-N 2 0 330.476 1.890 20 0 EDADRP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000262677912 139295563 /nfs/dbraw/zinc/29/55/63/139295563.db2.gz UUUVGTUTTIRTDK-CRAIPNDOSA-N 2 0 333.476 1.546 20 0 EDADRP CC(C)(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000262678880 139295826 /nfs/dbraw/zinc/29/58/26/139295826.db2.gz VJCOLIYLZCDIPJ-QGZVFWFLSA-N 2 0 333.476 1.633 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000420336767 251681162 /nfs/dbraw/zinc/68/11/62/251681162.db2.gz WGVZKWPIHWYKKH-IAGOWNOFSA-N 3 0 333.476 1.425 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)c3ccn([C@@H]4CCC[NH2+]C4)n3)C2)CC1 ZINC000262783928 139303363 /nfs/dbraw/zinc/30/33/63/139303363.db2.gz NQMKFKDKCGEXEA-IAGOWNOFSA-N 2 0 345.491 1.612 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)CCC3CC[NH2+]CC3)cc2)[nH]1 ZINC000262831758 139306685 /nfs/dbraw/zinc/30/66/85/139306685.db2.gz VDEPHROGUCHSMJ-UHFFFAOYSA-N 2 0 328.420 1.649 20 0 EDADRP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(C(=O)NCC(N)=O)cc1 ZINC000422889323 252012588 /nfs/dbraw/zinc/01/25/88/252012588.db2.gz FUWYGUSXUUKXRS-RHSMWYFYSA-N 2 0 346.475 1.302 20 0 EDADRP C[C@H](NCc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422892928 252013725 /nfs/dbraw/zinc/01/37/25/252013725.db2.gz ZTYOZMSJNVQEAG-ZYSHUDEJSA-N 2 0 344.503 1.614 20 0 EDADRP O=C1O[C@@H](C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)CC12CCC2 ZINC000377011715 284961084 /nfs/dbraw/zinc/96/10/84/284961084.db2.gz CFHKEVNEANOKPX-QGZVFWFLSA-N 2 0 336.476 1.907 20 0 EDADRP c1cc(N2CCOCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422804230 251982691 /nfs/dbraw/zinc/98/26/91/251982691.db2.gz DYGBEVXQWMJHCA-RCCFBDPRSA-N 2 0 330.476 1.929 20 0 EDADRP O=C(NCCC[NH2+]C1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000422857353 252001933 /nfs/dbraw/zinc/00/19/33/252001933.db2.gz GYCWPLKOJGCAPV-UHFFFAOYSA-N 2 0 340.265 1.911 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CCCS2(=O)=O)c(F)c1 ZINC000423044344 252027520 /nfs/dbraw/zinc/02/75/20/252027520.db2.gz AHQBAPYUUIJODH-NEPJUHHUSA-N 2 0 329.441 1.581 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)c2c[nH]nc2[C@@H]2CCC[NH2+]C2)CCSC1 ZINC000423348727 252049232 /nfs/dbraw/zinc/04/92/32/252049232.db2.gz UNTAIKKJBQGWKJ-MLGOLLRUSA-N 2 0 337.493 1.044 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccc(S(=O)(=O)N(C)C)cc1 ZINC000423485147 252055051 /nfs/dbraw/zinc/05/50/51/252055051.db2.gz AMQFLVOXAIWWEE-GUTXKFCHSA-N 2 0 325.478 1.715 20 0 EDADRP CCCN(C(=O)C(=O)N(C)CC[NH+](C(C)C)C(C)C)[C@H]1CC[NH2+]C1 ZINC000423668420 252066083 /nfs/dbraw/zinc/06/60/83/252066083.db2.gz VWORTCCYRFATKX-INIZCTEOSA-N 2 0 340.512 1.164 20 0 EDADRP C[C@@H]1CC[NH2+][C@H](C(=O)NCC2([NH3+])CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424025523 252118280 /nfs/dbraw/zinc/11/82/80/252118280.db2.gz ZHBXBTAHOPZMLN-AEFFLSMTSA-N 3 0 344.503 1.484 20 0 EDADRP Cc1cc(C[NH+](C)C)cc(NC(=O)C2(n3cccn3)CC[NH2+]CC2)c1 ZINC000423793972 252077679 /nfs/dbraw/zinc/07/76/79/252077679.db2.gz XHWNCMNBXMMQRR-UHFFFAOYSA-N 2 0 341.459 1.971 20 0 EDADRP [NH3+]C1(C(=O)N2CCC(CCC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000423801958 252081253 /nfs/dbraw/zinc/08/12/53/252081253.db2.gz UPBWZAHVEPWYQV-UHFFFAOYSA-N 2 0 337.508 1.999 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)c2cn(C)nc2[C@@H]2CCC[NH2+]C2)C[N@@H+]1C1CC1 ZINC000424162287 252149457 /nfs/dbraw/zinc/14/94/57/252149457.db2.gz ZJQRDDRCIKENKP-MCIONIFRSA-N 2 0 331.464 1.242 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCN(C)C(=O)C2)CC1 ZINC000424195366 252158023 /nfs/dbraw/zinc/15/80/23/252158023.db2.gz ZGBPLVUWFZXSKQ-QGZVFWFLSA-N 2 0 344.503 1.787 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)CC[NH+]2CCN(C)CC2)c1 ZINC000424429153 252226524 /nfs/dbraw/zinc/22/65/24/252226524.db2.gz WGYFHPKVUCTAFH-OAHLLOKOSA-N 2 0 333.480 1.601 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000424473563 252245125 /nfs/dbraw/zinc/24/51/25/252245125.db2.gz GXAKHNLAHUHFBI-QGZVFWFLSA-N 2 0 326.485 1.128 20 0 EDADRP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000263230657 139329679 /nfs/dbraw/zinc/32/96/79/139329679.db2.gz NICBEZFNCSIMFO-PXAZEXFGSA-N 2 0 341.858 1.613 20 0 EDADRP CC[N@@H+]1CCC[C@@H](CNC(=O)c2ccnc(N3CC[NH+](C)CC3)c2)C1 ZINC000112279893 220283815 /nfs/dbraw/zinc/28/38/15/220283815.db2.gz DQYWPFDNTZXSFV-INIZCTEOSA-N 2 0 345.491 1.295 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000415701373 304259245 /nfs/dbraw/zinc/25/92/45/304259245.db2.gz ODBHEEKUXCTVLB-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)N(C)C3C[NH2+]C3)cc2)C1 ZINC000415733802 304262556 /nfs/dbraw/zinc/26/25/56/304262556.db2.gz IKFZIUZWHNEFEP-CQSZACIVSA-N 2 0 344.459 1.287 20 0 EDADRP O=C(C[NH2+][C@@H]1CCc2ccc(Br)cc21)N1CC[NH2+]CC1 ZINC000570271640 306534777 /nfs/dbraw/zinc/53/47/77/306534777.db2.gz HQQHQKOFHAORSS-CQSZACIVSA-N 2 0 338.249 1.458 20 0 EDADRP CC(C)[C@H](C(=O)N1CC[NH+](C[C@H]2CCOC2)CC1)[NH+]1CCCCC1 ZINC000488832874 255056409 /nfs/dbraw/zinc/05/64/09/255056409.db2.gz SUIYCSILMHJRLH-QZTJIDSGSA-N 2 0 337.508 1.678 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cnnn2Cc2ccccc2)CC1 ZINC000490554818 255091722 /nfs/dbraw/zinc/09/17/22/255091722.db2.gz JDJJEWIWRMAACU-KRWDZBQOSA-N 2 0 342.491 1.442 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)[C@H]1NCCO[C@@H]1C)c1ccccc1 ZINC000493993238 255230278 /nfs/dbraw/zinc/23/02/78/255230278.db2.gz KBOLWCGPHGSOMM-NXHRZFHOSA-N 2 0 349.475 1.189 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)C(C)(C)c1c[nH]cn1 ZINC000495093822 255268496 /nfs/dbraw/zinc/26/84/96/255268496.db2.gz MUNOUUOFAHEEFU-UHFFFAOYSA-N 2 0 345.447 1.729 20 0 EDADRP CC(C)(C)OC(=O)N1CC2(C1)CN(CCCn1ccnc1)CCO2 ZINC000496075368 255349579 /nfs/dbraw/zinc/34/95/79/255349579.db2.gz GJWYCTATQVYQMP-UHFFFAOYSA-N 2 0 336.436 1.595 20 0 EDADRP OCC[C@H]1CCCC[N@@H+]1CC1(C[NH+]2CCCC[C@H]2CCO)COC1 ZINC000119390681 221310653 /nfs/dbraw/zinc/31/06/53/221310653.db2.gz BEUMWTBYZCHUIB-HDICACEKSA-N 2 0 340.508 1.477 20 0 EDADRP C[C@@H]([NH2+]CC1(C(N)=O)CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000153102136 533355140 /nfs/dbraw/zinc/35/51/40/533355140.db2.gz OBLFLFPTWTUGOD-OAHLLOKOSA-N 2 0 349.475 1.560 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000415930259 304285946 /nfs/dbraw/zinc/28/59/46/304285946.db2.gz ZZPTZRFOAGTVNO-AWEZNQCLSA-N 2 0 334.464 1.715 20 0 EDADRP CSCC[C@H]([NH3+])C(=O)NCc1ccccc1OCC[NH+](C)C ZINC000166180488 533645617 /nfs/dbraw/zinc/64/56/17/533645617.db2.gz BBXHXXRMWRTNOU-AWEZNQCLSA-N 2 0 325.478 1.324 20 0 EDADRP C[NH+](C)[C@H](CC(=O)NC[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000416182618 304293776 /nfs/dbraw/zinc/29/37/76/304293776.db2.gz ZYIAJQPPAXKWEX-QZTJIDSGSA-N 2 0 333.476 1.642 20 0 EDADRP C[NH+](C)[C@@H](CC(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21)c1ccccc1 ZINC000416237848 304298761 /nfs/dbraw/zinc/29/87/61/304298761.db2.gz CTWXWXKEVVKMFB-KSZLIROESA-N 2 0 331.460 1.611 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)[C@H](C)C[NH+]2CCOCC2)[NH+](C)C)cc1 ZINC000271110206 140238608 /nfs/dbraw/zinc/23/86/08/140238608.db2.gz MBBRQCYKULGROE-SJLPKXTDSA-N 2 0 333.476 1.682 20 0 EDADRP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000271892508 140368090 /nfs/dbraw/zinc/36/80/90/140368090.db2.gz SHTHFYUSOLFKMV-AWEZNQCLSA-N 2 0 337.489 1.849 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)CCO1 ZINC000333245747 141287124 /nfs/dbraw/zinc/28/71/24/141287124.db2.gz BSDDVRZUHSIDAC-ZDUSSCGKSA-N 2 0 336.411 1.266 20 0 EDADRP C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CC[NH2+][C@H](C)C2)CC1 ZINC000333441741 141317420 /nfs/dbraw/zinc/31/74/20/141317420.db2.gz WFLBGMHWCULLAJ-CABCVRRESA-N 2 0 331.464 1.610 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)NC[C@H]2C[NH2+]CCO2)C1 ZINC000333542511 141333990 /nfs/dbraw/zinc/33/39/90/141333990.db2.gz ODRXBDCLSMYWKE-BRWVUGGUSA-N 2 0 338.496 1.271 20 0 EDADRP CC(C)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)N1CCOCC1 ZINC000333575670 141339598 /nfs/dbraw/zinc/33/95/98/141339598.db2.gz JHODKMOVVSKIBH-GOSISDBHSA-N 2 0 346.475 1.523 20 0 EDADRP C[C@@H](NC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1)C1=CC[N@H+](C)CC1 ZINC000333672305 141354134 /nfs/dbraw/zinc/35/41/34/141354134.db2.gz YLYJJTLSCRIPHK-FHLIZLRMSA-N 2 0 328.460 1.773 20 0 EDADRP c1ncn2c1C[C@H](c1nc([C@H]3CN4CCCC[C@H]4CO3)no1)CC2 ZINC000333749422 141372722 /nfs/dbraw/zinc/37/27/22/141372722.db2.gz SQRZCSAYHMSYRU-VNHYZAJKSA-N 2 0 329.404 1.922 20 0 EDADRP C[C@@H](C(=O)N1CCC(C)CC1)[NH+]1CCC([C@@H]2OCCC[C@H]2[NH3+])CC1 ZINC000333854080 141395092 /nfs/dbraw/zinc/39/50/92/141395092.db2.gz OEBICKNRAWJCQQ-JQHSSLGASA-N 2 0 337.508 1.852 20 0 EDADRP C[NH+]1CCC([C@H]2CCN(C(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)CC1 ZINC000339550131 142074566 /nfs/dbraw/zinc/07/45/66/142074566.db2.gz ZNPIZJNXQQCAOM-RDJZCZTQSA-N 2 0 334.508 1.844 20 0 EDADRP CC(C)C[C@H](NC(=O)c1ccc2c[nH+]cn2c1)C(=O)NCC[NH+](C)C ZINC000339944268 142207990 /nfs/dbraw/zinc/20/79/90/142207990.db2.gz CZPDTRSJMCFDHF-INIZCTEOSA-N 2 0 345.447 1.157 20 0 EDADRP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCCN2C(=O)c1ccc2c[nH+]cn2c1 ZINC000339959989 142213396 /nfs/dbraw/zinc/21/33/96/142213396.db2.gz QQBCAUADPOUVDP-DJIMGWMZSA-N 2 0 328.416 1.658 20 0 EDADRP [NH3+]C[C@@H]1CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000340118044 142271404 /nfs/dbraw/zinc/27/14/04/142271404.db2.gz XBNONLMWKWKYFV-PKOBYXMFSA-N 2 0 344.503 1.690 20 0 EDADRP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000345769550 143131444 /nfs/dbraw/zinc/13/14/44/143131444.db2.gz NRUIWYMZICVACD-HOTGVXAUSA-N 2 0 336.524 1.534 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2cccc3c[nH]nc32)C1)[C@H]1CCC[NH2+]1 ZINC000346682755 143231306 /nfs/dbraw/zinc/23/13/06/143231306.db2.gz PNQHVGDLEJIOCT-RHSMWYFYSA-N 2 0 341.459 1.643 20 0 EDADRP Cc1cccc(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000346740055 143240109 /nfs/dbraw/zinc/24/01/09/143240109.db2.gz MWWLOFGACXJPHU-UHFFFAOYSA-N 2 0 339.443 1.727 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347022452 143272602 /nfs/dbraw/zinc/27/26/02/143272602.db2.gz OLLQVIIHJWYLGN-AWEZNQCLSA-N 2 0 345.472 1.492 20 0 EDADRP COc1cc2c(c(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347142642 143287047 /nfs/dbraw/zinc/28/70/47/143287047.db2.gz WYHKZDBJGXVGSE-KBPBESRZSA-N 2 0 347.459 1.306 20 0 EDADRP CCC[C@H]1CN(C(=O)N[C@H]2CC[NH+](C3CC3)C2)CC[N@@H+]1CCOC ZINC000347206071 143294750 /nfs/dbraw/zinc/29/47/50/143294750.db2.gz DZDSDMBJXPGVKQ-RDJZCZTQSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]C2CCN(S(=O)(=O)C(C)C)CC2)[C@H](C)C1 ZINC000347418208 143318760 /nfs/dbraw/zinc/31/87/60/143318760.db2.gz JYJKGZLYHHWKPV-GDBMZVCRSA-N 2 0 331.526 1.509 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C)C(C)C ZINC000347752189 143358204 /nfs/dbraw/zinc/35/82/04/143358204.db2.gz BURRHQDBGXJLJM-JKSUJKDBSA-N 2 0 340.512 1.163 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000347978996 143386846 /nfs/dbraw/zinc/38/68/46/143386846.db2.gz QOXAYGNZNZXCEX-CVEARBPZSA-N 2 0 340.512 1.163 20 0 EDADRP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000369723463 155151244 /nfs/dbraw/zinc/15/12/44/155151244.db2.gz XAPDDQQMIITWLW-IBGZPJMESA-N 2 0 345.487 1.956 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2ccc3ncccc3c2)[C@H](C2CC[NH2+]CC2)N1 ZINC000573088044 306611270 /nfs/dbraw/zinc/61/12/70/306611270.db2.gz ICJJPDVBKDWQKJ-QUCCMNQESA-N 2 0 338.455 1.971 20 0 EDADRP CO[C@@H]1CCN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C[NH3+])C1 ZINC000416842857 304350897 /nfs/dbraw/zinc/35/08/97/304350897.db2.gz NRTVYDBHRGLNRL-KZNAEPCWSA-N 2 0 346.475 1.409 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)NCC(C)(C)[NH3+])[NH+]1CCCC1 ZINC000416843530 304351034 /nfs/dbraw/zinc/35/10/34/304351034.db2.gz OVFRTSZBTLXFRF-HNNXBMFYSA-N 2 0 334.464 1.869 20 0 EDADRP CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000573355210 306619113 /nfs/dbraw/zinc/61/91/13/306619113.db2.gz CPZJHZZTHIZUHI-DRPJVOAASA-N 2 0 337.489 1.633 20 0 EDADRP CCC[NH+]1CCC(CNC(=O)N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)CC1 ZINC000352572316 149068830 /nfs/dbraw/zinc/06/88/30/149068830.db2.gz GNXNFACDDSEPAB-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NCC([NH3+])(CC)CC)[NH+]1CCOCC1 ZINC000416963587 304355852 /nfs/dbraw/zinc/35/58/52/304355852.db2.gz VHFOIZNJXOTRRV-MRXNPFEDSA-N 2 0 342.528 1.940 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000416972398 304358098 /nfs/dbraw/zinc/35/80/98/304358098.db2.gz RWFHBDCRTVTDHT-HNNXBMFYSA-N 2 0 348.491 1.896 20 0 EDADRP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CC1(N2CCOCC2)CC1 ZINC000423071323 296626192 /nfs/dbraw/zinc/62/61/92/296626192.db2.gz FHVCNSXSXCJNCI-XLIONFOSSA-N 2 0 343.471 1.697 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000416978399 304359557 /nfs/dbraw/zinc/35/95/57/304359557.db2.gz QWRNXVWQFLJZRR-GOSISDBHSA-N 2 0 332.492 1.976 20 0 EDADRP C[C@@H]1CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1CO ZINC000355088594 150110351 /nfs/dbraw/zinc/11/03/51/150110351.db2.gz PHIBYXUDTILWTK-NJAFHUGGSA-N 2 0 333.476 1.498 20 0 EDADRP CC[NH+](CC)CCOC1CC[NH+]([C@H]2CCN(C(C)C)C2=O)CC1 ZINC000355336633 150222659 /nfs/dbraw/zinc/22/26/59/150222659.db2.gz PYNNZZOTDMYMTH-KRWDZBQOSA-N 2 0 325.497 1.819 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc2)CC1 ZINC000355704928 150367179 /nfs/dbraw/zinc/36/71/79/150367179.db2.gz JCQXATSOLYWEGU-INIZCTEOSA-N 2 0 332.492 1.756 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417045993 304365963 /nfs/dbraw/zinc/36/59/63/304365963.db2.gz YZHCQZLWKVYOIF-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NCC[C@H](C)[NH3+])CC2)c1 ZINC000417052350 304366819 /nfs/dbraw/zinc/36/68/19/304366819.db2.gz PUSUHJFFKLVKCS-KRWDZBQOSA-N 2 0 347.507 1.544 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N[C@@H](C)C[NH3+])CC2)c1 ZINC000417055780 304367297 /nfs/dbraw/zinc/36/72/97/304367297.db2.gz XZPQHJXPICPBCC-INIZCTEOSA-N 2 0 333.480 1.154 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)N(C)C3C[NH2+]C3)CC2)c1 ZINC000417056131 304367356 /nfs/dbraw/zinc/36/73/56/304367356.db2.gz YSHSKMAEOISBGK-UHFFFAOYSA-N 2 0 345.491 1.120 20 0 EDADRP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C ZINC000357407683 151022530 /nfs/dbraw/zinc/02/25/30/151022530.db2.gz QKYONRCYRZPHOK-WBVHZDCISA-N 2 0 325.497 1.865 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCN1Cc1ccccc1 ZINC000357702246 151120003 /nfs/dbraw/zinc/12/00/03/151120003.db2.gz IGKUISQYXGYPCP-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP CN1CCC(CNC(=O)[C@@]2(C)CCCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000357811048 151158253 /nfs/dbraw/zinc/15/82/53/151158253.db2.gz DESNGKDJKLTRHQ-GOSISDBHSA-N 2 0 336.524 1.585 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000357876551 151181001 /nfs/dbraw/zinc/18/10/01/151181001.db2.gz YELBHSZAFIVTDL-UHFFFAOYSA-N 2 0 330.542 1.845 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000357959298 151210652 /nfs/dbraw/zinc/21/06/52/151210652.db2.gz PBAVMBLGTFNIJC-HOTGVXAUSA-N 2 0 327.517 1.042 20 0 EDADRP C[C@H](NC(=O)N1CCC(OCC[NH+](C)C)CC1)C1=CC[N@H+](C)CC1 ZINC000358072069 151258385 /nfs/dbraw/zinc/25/83/85/151258385.db2.gz BIRRUORHOFKRJG-HNNXBMFYSA-N 2 0 338.496 1.389 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(C[NH2+][C@@H]2CN(C)C[C@H]2C)cc1 ZINC000358079277 151262225 /nfs/dbraw/zinc/26/22/25/151262225.db2.gz DMQYYLWKWJWNSP-RHSMWYFYSA-N 2 0 339.505 1.757 20 0 EDADRP C[C@H](C(=O)NCC(C)(C)[NH+](C)C)[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000358131510 151282915 /nfs/dbraw/zinc/28/29/15/151282915.db2.gz VIDTZTQALCJQFH-KBPBESRZSA-N 2 0 342.528 1.171 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(CC)nn3C2)[C@@H](C)C1 ZINC000358139126 151285479 /nfs/dbraw/zinc/28/54/79/151285479.db2.gz WEFZTZBBIDERPE-BBWFWOEESA-N 2 0 349.523 1.882 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CC(=O)N([C@@H]3C[C@H]3C)C2)[C@@H](C)C1 ZINC000358187428 151299442 /nfs/dbraw/zinc/29/94/42/151299442.db2.gz JOCSHFPQWLCFKG-MDMSPXHWSA-N 2 0 337.508 1.722 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[N@H+](CCO)C2CCCCC2)CC1 ZINC000358190991 151300246 /nfs/dbraw/zinc/30/02/46/151300246.db2.gz XOKXQOUHTNQDKW-UHFFFAOYSA-N 2 0 325.497 1.602 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000358288488 151327702 /nfs/dbraw/zinc/32/77/02/151327702.db2.gz FFXUHSFJADWDRG-SJORKVTESA-N 2 0 339.528 1.186 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000358315692 151334540 /nfs/dbraw/zinc/33/45/40/151334540.db2.gz QMEJKIXSOUQOHP-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000417121490 304374840 /nfs/dbraw/zinc/37/48/40/304374840.db2.gz WQEYDULHRGAKGD-KBPBESRZSA-N 2 0 326.510 1.479 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NCC2([NH+](C)C)CCCCC2)CCSC1 ZINC000360377367 152012257 /nfs/dbraw/zinc/01/22/57/152012257.db2.gz LGHFEPSXADQASV-KRWDZBQOSA-N 2 0 342.553 1.987 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC2CC[NH+](C(C)(C)C)CC2)CCSC1 ZINC000360400353 152021498 /nfs/dbraw/zinc/02/14/98/152021498.db2.gz ZGHAKUUDZKOHBJ-KRWDZBQOSA-N 2 0 342.553 1.986 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NCc1cccc(-n2ccnc2)c1 ZINC000360768511 152196293 /nfs/dbraw/zinc/19/62/93/152196293.db2.gz WJHSOBDVHMQRLI-UHFFFAOYSA-N 2 0 345.447 1.640 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)C1 ZINC000370135708 155343035 /nfs/dbraw/zinc/34/30/35/155343035.db2.gz IYACCQBAWRCGDV-QXDIGNSFSA-N 2 0 334.508 1.985 20 0 EDADRP C[NH2+]CCCNC(=O)NCCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000417160173 304379028 /nfs/dbraw/zinc/37/90/28/304379028.db2.gz YCRBCHBMHYGCJX-UHFFFAOYSA-N 2 0 347.507 1.498 20 0 EDADRP [NH3+]CCNC(=O)C1CCN(Cc2coc(-c3ccccc3)n2)CC1 ZINC000370196113 155372178 /nfs/dbraw/zinc/37/21/78/155372178.db2.gz ZWFRKMPFEQIOGI-UHFFFAOYSA-N 2 0 328.416 1.629 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)[C@H]1C[C@@H]1c1cccnc1 ZINC000364063951 153136338 /nfs/dbraw/zinc/13/63/38/153136338.db2.gz BDDZVAIBQHPNEW-MSOLQXFVSA-N 2 0 332.492 1.917 20 0 EDADRP Cc1nccc(CNC(=O)N(C)[C@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000364292889 153198275 /nfs/dbraw/zinc/19/82/75/153198275.db2.gz QTYYBGKEKZUWOY-KRWDZBQOSA-N 2 0 346.479 1.095 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCC(O)CC1)[C@H]1CCCCC[NH2+]1 ZINC000364468773 153246103 /nfs/dbraw/zinc/24/61/03/153246103.db2.gz RYMYDVJFDZRNIO-LJQANCHMSA-N 2 0 345.487 1.792 20 0 EDADRP C[NH+](C)[C@]1(C(=O)NC2CC[NH+](CC3CC3)CC2)CCCSC1 ZINC000367043928 153992306 /nfs/dbraw/zinc/99/23/06/153992306.db2.gz CCTHXFKBMSVAHP-QGZVFWFLSA-N 2 0 325.522 1.804 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)NCC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000417296530 304390091 /nfs/dbraw/zinc/39/00/91/304390091.db2.gz QLIPLZUWAAWYTF-GOSISDBHSA-N 2 0 330.476 1.889 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)NC[C@@H]1CN2CCCC[C@H]2CO1 ZINC000367096029 154007788 /nfs/dbraw/zinc/00/77/88/154007788.db2.gz GGZJQKHSKYPNGX-IXDOHACOSA-N 2 0 338.496 1.365 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+]1CCc1ccccc1 ZINC000367283282 154066362 /nfs/dbraw/zinc/06/63/62/154066362.db2.gz UIQZLKOVSDPLKT-DLBZAZTESA-N 2 0 347.459 1.090 20 0 EDADRP CN(Cc1nnn(CC(F)(F)F)n1)C[C@H]1CCn2ccnc2C1 ZINC000367720825 154243836 /nfs/dbraw/zinc/24/38/36/154243836.db2.gz NALXDJGYCFQGQE-JTQLQIEISA-N 2 0 329.330 1.126 20 0 EDADRP CC[NH+]1CCN([C@@H](C)C[NH2+]C2CCN(c3nccs3)CC2)CC1 ZINC000368004585 154364503 /nfs/dbraw/zinc/36/45/03/154364503.db2.gz GISQYRSZRSFUDT-HNNXBMFYSA-N 2 0 337.537 1.728 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000368011309 154368091 /nfs/dbraw/zinc/36/80/91/154368091.db2.gz XKMNGRVMJYWDCB-DZGCQCFKSA-N 2 0 325.453 1.180 20 0 EDADRP C[NH+](C)CCCOc1cnccc1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000368155713 154433769 /nfs/dbraw/zinc/43/37/69/154433769.db2.gz PYVAWOCYMCRAFN-QGZVFWFLSA-N 2 0 346.475 1.370 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@H]1c2ccccc2CC[C@H]1[NH+](C)C ZINC000369501801 155061221 /nfs/dbraw/zinc/06/12/21/155061221.db2.gz URKDFTZUHIOYSJ-MSOLQXFVSA-N 2 0 348.491 1.218 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369566759 155089656 /nfs/dbraw/zinc/08/96/56/155089656.db2.gz QPBPWLFZZYJNJZ-UIBIWLFHSA-N 2 0 343.475 1.364 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NC[C@H]([NH3+])C2CC2)cc1 ZINC000417528384 304403652 /nfs/dbraw/zinc/40/36/52/304403652.db2.gz PRLFDIZPBYSGOY-KRWDZBQOSA-N 2 0 334.464 1.206 20 0 EDADRP CC(C)Cn1cc(CN2CC[N@H+](C[C@@H]3CN(C)CCO3)C[C@@H]2C)cn1 ZINC000374716181 157376064 /nfs/dbraw/zinc/37/60/64/157376064.db2.gz KXKUUYXZPVHWME-HKUYNNGSSA-N 2 0 349.523 1.376 20 0 EDADRP C[N@H+](CC[C@@H]1CCOC1=O)C1CCN(CCc2ccncc2)CC1 ZINC000374750133 157387187 /nfs/dbraw/zinc/38/71/87/157387187.db2.gz LWBLANPIPYUASP-QGZVFWFLSA-N 2 0 331.460 1.974 20 0 EDADRP CCOC(C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1)OCC ZINC000375093601 157492655 /nfs/dbraw/zinc/49/26/55/157492655.db2.gz FTJGIULULCPRIC-UHFFFAOYSA-N 2 0 327.513 1.735 20 0 EDADRP COCC[C@]1(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000378211702 158111146 /nfs/dbraw/zinc/11/11/46/158111146.db2.gz RJSAHIFSOVDISZ-GOSISDBHSA-N 2 0 337.439 1.390 20 0 EDADRP CCNC(=O)Nc1c[nH]nc1[C@@H]1CCC[N@H+](CCn2ccnc2)C1 ZINC000378537025 158203813 /nfs/dbraw/zinc/20/38/13/158203813.db2.gz ITOAEWNCSPFGPS-CYBMUJFWSA-N 2 0 331.424 1.627 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000287618876 286817453 /nfs/dbraw/zinc/81/74/53/286817453.db2.gz FELZRDGWQCLBNA-GJZGRUSLSA-N 2 0 333.480 1.856 20 0 EDADRP [NH3+]C1(CNC(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CCCCC1 ZINC000417913292 304430418 /nfs/dbraw/zinc/43/04/18/304430418.db2.gz PVPCXYJIEWTJDQ-HZPDHXFCSA-N 2 0 338.496 1.325 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000352224354 162059204 /nfs/dbraw/zinc/05/92/04/162059204.db2.gz YMVKBPRIDAFVPF-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000352247792 162070802 /nfs/dbraw/zinc/07/08/02/162070802.db2.gz QHYMYRCQPRICHU-UHFFFAOYSA-N 2 0 331.526 1.655 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)c1ccon1 ZINC000352276801 162088965 /nfs/dbraw/zinc/08/89/65/162088965.db2.gz XGVYVUKRCMMPJL-HUUCEWRRSA-N 2 0 337.468 1.793 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000352364974 162142360 /nfs/dbraw/zinc/14/23/60/162142360.db2.gz LKFMQXUOHIUDJF-GGPKGHCWSA-N 2 0 329.488 1.505 20 0 EDADRP c1cc(OCCC[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)cc2c1OCO2 ZINC000352506870 162219029 /nfs/dbraw/zinc/21/90/29/162219029.db2.gz ATRFJRWGMAZRRB-OAHLLOKOSA-N 2 0 333.432 1.164 20 0 EDADRP COCC1(CNC(=O)NCC[C@H](C)[NH+]2CCCCC2)CC[NH2+]CC1 ZINC000418027836 304448509 /nfs/dbraw/zinc/44/85/09/304448509.db2.gz XNOXTIGYNJSSIF-INIZCTEOSA-N 2 0 340.512 1.566 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)N[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000418043130 304450519 /nfs/dbraw/zinc/45/05/19/304450519.db2.gz YOAMWOVBGBCXLY-KBPBESRZSA-N 2 0 344.381 1.969 20 0 EDADRP C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418187136 304461868 /nfs/dbraw/zinc/46/18/68/304461868.db2.gz CXSYMPKGTKSTAO-LSDHHAIUSA-N 2 0 349.479 1.304 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000073866790 287265705 /nfs/dbraw/zinc/26/57/05/287265705.db2.gz TVPSCMKXVQCJHU-BRWVUGGUSA-N 2 0 342.528 1.620 20 0 EDADRP CC[C@@H]1[C@H](CO)CC[NH+]1CCOCC[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000451263389 287370032 /nfs/dbraw/zinc/37/00/32/287370032.db2.gz YXDSCLGZHMEHFC-WNRNVDISSA-N 2 0 328.497 1.189 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)CCCn1ccnc1C ZINC000121385451 287370842 /nfs/dbraw/zinc/37/08/42/287370842.db2.gz LBYHWEYJWZWVBE-MRXNPFEDSA-N 2 0 337.468 1.334 20 0 EDADRP [NH3+]C[C@H]1CC[C@H](CNC(=O)NCCC[NH2+]Cc2cccnc2)CC1 ZINC000418334187 304481965 /nfs/dbraw/zinc/48/19/65/304481965.db2.gz WPSNZSXXJMFBPI-WKILWMFISA-N 2 0 333.480 1.626 20 0 EDADRP CCOCCNC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121899451 287376081 /nfs/dbraw/zinc/37/60/81/287376081.db2.gz USGFQJNSKQMHIZ-UHFFFAOYSA-N 2 0 325.497 1.727 20 0 EDADRP C[NH+](C)CCN(Cc1ccc(F)cc1)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418336772 304482673 /nfs/dbraw/zinc/48/26/73/304482673.db2.gz IUFYAADFTMALIH-HNNXBMFYSA-N 2 0 336.455 1.899 20 0 EDADRP COC1(C(=O)NC[C@H](C)[N@@H+]2CCc3ccccc3C2)CC[NH2+]CC1 ZINC000166506157 226159929 /nfs/dbraw/zinc/15/99/29/226159929.db2.gz QXNJXRNDJHNADN-HNNXBMFYSA-N 2 0 331.460 1.318 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000418432454 304494967 /nfs/dbraw/zinc/49/49/67/304494967.db2.gz ZPWJEPPZKVPPGS-CQSZACIVSA-N 2 0 328.501 1.238 20 0 EDADRP O=C(Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188797912 272959693 /nfs/dbraw/zinc/95/96/93/272959693.db2.gz VVCNWRCHARXJTN-MAUKXSAKSA-N 2 0 346.450 1.857 20 0 EDADRP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](CC)CCO)cc1)C(C)C ZINC000274564955 268160388 /nfs/dbraw/zinc/16/03/88/268160388.db2.gz PUDIUFMWIHJGHE-UHFFFAOYSA-N 2 0 335.492 1.961 20 0 EDADRP CC[C@@]1(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)CCC[NH2+]1 ZINC000274590351 268164990 /nfs/dbraw/zinc/16/49/90/268164990.db2.gz JWWOOCPPMOWMOO-IBGZPJMESA-N 2 0 333.476 1.818 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1CCC[NH+](C)CC1 ZINC000274189601 273076125 /nfs/dbraw/zinc/07/61/25/273076125.db2.gz HRSAZMJEDMPDHW-FUHWJXTLSA-N 2 0 330.476 1.854 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(-c2ccccc2)no1 ZINC000103212910 272918744 /nfs/dbraw/zinc/91/87/44/272918744.db2.gz GYQAODFEIPXPNO-UHFFFAOYSA-N 2 0 330.432 1.907 20 0 EDADRP C[C@@H](CNC(=O)[C@]12CCC[C@@H]1C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000280716917 273389567 /nfs/dbraw/zinc/38/95/67/273389567.db2.gz FDUBNRIGHPCANW-CVAIRZPRSA-N 2 0 327.472 1.939 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)N(C)CC[NH+](C)C)c1ccccc1 ZINC000283624636 273907859 /nfs/dbraw/zinc/90/78/59/273907859.db2.gz XRJQVUKQOXOBLW-KRWDZBQOSA-N 2 0 348.491 1.206 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000283841095 273980584 /nfs/dbraw/zinc/98/05/84/273980584.db2.gz FLOYAZZBGQBWJD-WBVHZDCISA-N 2 0 348.491 1.252 20 0 EDADRP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC000246924268 287753774 /nfs/dbraw/zinc/75/37/74/287753774.db2.gz GTFVVPSJWAPGEI-BRWVUGGUSA-N 2 0 338.496 1.223 20 0 EDADRP CC(C)[C@@H](C(=O)NCc1cccc(C(=O)NCC[NH+](C)C)c1)[C@@H](C)[NH3+] ZINC000423357611 275666425 /nfs/dbraw/zinc/66/64/25/275666425.db2.gz MJZYVBKHGQEHHG-RHSMWYFYSA-N 2 0 348.491 1.214 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC000377103199 276374889 /nfs/dbraw/zinc/37/48/89/276374889.db2.gz MMSDNGGHTYOQMW-HOTGVXAUSA-N 2 0 338.496 1.365 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000357050316 276388697 /nfs/dbraw/zinc/38/86/97/276388697.db2.gz MEQTYIQEEYULTC-MJGOQNOKSA-N 3 0 328.504 1.870 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCc4n[nH]cc43)cn2)CC1 ZINC000375883696 277112912 /nfs/dbraw/zinc/11/29/12/277112912.db2.gz DMOFWSPBMZLCPY-MRXNPFEDSA-N 2 0 326.448 1.724 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCCNC(=O)[C@H](C)C[NH3+])CC2)c1 ZINC000286133212 287943355 /nfs/dbraw/zinc/94/33/55/287943355.db2.gz OZDYLBVQGMUKCH-QGZVFWFLSA-N 2 0 332.492 1.608 20 0 EDADRP C[C@H](CNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1)[N@H+](C)Cc1ccccc1 ZINC000417596324 278200803 /nfs/dbraw/zinc/20/08/03/278200803.db2.gz ZUBWYRUHLRUEBD-VQIMIIECSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@@H](NC(=O)NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1)[C@H](C)[NH3+] ZINC000417023360 278325274 /nfs/dbraw/zinc/32/52/74/278325274.db2.gz PGKQZESBUPECPM-JZXOWHBKSA-N 2 0 347.507 1.400 20 0 EDADRP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ncc(Br)cc1F ZINC000423177004 278345681 /nfs/dbraw/zinc/34/56/81/278345681.db2.gz DIRPLJOCUFAAPZ-LLVKDONJSA-N 2 0 345.260 1.929 20 0 EDADRP CC[N@H+](CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1ccnn1C)C1CC1 ZINC000347864567 279054788 /nfs/dbraw/zinc/05/47/88/279054788.db2.gz PVKCHBXPSFBDRH-KBXCAEBGSA-N 2 0 333.480 1.404 20 0 EDADRP CC(C)C[C@H](C[NH+](C)C)NC(=O)N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000417089330 279126084 /nfs/dbraw/zinc/12/60/84/279126084.db2.gz OFWLBDBVRKPAPX-HZPDHXFCSA-N 2 0 340.512 1.360 20 0 EDADRP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000370619926 279198267 /nfs/dbraw/zinc/19/82/67/279198267.db2.gz IBBJILPPBBHRPP-RDJZCZTQSA-N 2 0 348.539 1.443 20 0 EDADRP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCOCC2)C1)[C@@H]([NH3+])c1ccccc1 ZINC000237421170 279204192 /nfs/dbraw/zinc/20/41/92/279204192.db2.gz BZXIFEWVUQLIOL-LZLYRXPVSA-N 2 0 331.460 1.503 20 0 EDADRP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422893476 279364087 /nfs/dbraw/zinc/36/40/87/279364087.db2.gz QSJBKRYXDYCWAV-MSOLQXFVSA-N 3 0 330.520 1.912 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(OC)CC[NH2+]CC2)C1 ZINC000168643411 288217019 /nfs/dbraw/zinc/21/70/19/288217019.db2.gz ZIUZEGIVZNXITH-HNNXBMFYSA-N 2 0 325.497 1.772 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000290129608 288844924 /nfs/dbraw/zinc/84/49/24/288844924.db2.gz ZIZGAQVEQHZMRL-INIZCTEOSA-N 2 0 335.448 1.377 20 0 EDADRP Cn1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c(C(F)F)n1 ZINC000291067060 288996753 /nfs/dbraw/zinc/99/67/53/288996753.db2.gz QNYYBJSPSPGNKJ-UHFFFAOYSA-N 2 0 339.390 1.983 20 0 EDADRP CN(CCCNC(=O)CN1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292055607 289250648 /nfs/dbraw/zinc/25/06/48/289250648.db2.gz CATOAQNOPSCRMO-HXUWFJFHSA-N 2 0 344.503 1.657 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NCC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000416829330 289283443 /nfs/dbraw/zinc/28/34/43/289283443.db2.gz FSLQJKOFUWFDSM-ZWKOTPCHSA-N 2 0 332.492 1.848 20 0 EDADRP C[C@H](C(=O)N1c2ccccc2C[C@H]1C)[N@@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420349090 289328754 /nfs/dbraw/zinc/32/87/54/289328754.db2.gz NRWZSQYPHPPNNQ-JFIYKMOQSA-N 2 0 342.487 1.332 20 0 EDADRP C[C@H](O)C[NH+]1CCC(CN(C)C(=O)[C@](C)([NH3+])c2ccccc2)CC1 ZINC000192530325 290084280 /nfs/dbraw/zinc/08/42/80/290084280.db2.gz QPKJTPHHCGVCKL-HNAYVOBHSA-N 2 0 333.476 1.412 20 0 EDADRP CO[C@H]1C[C@@H](C[NH+]2CCCC2)N(C(=O)NCCC[C@@H]2CCC[NH2+]2)C1 ZINC000418764732 294610516 /nfs/dbraw/zinc/61/05/16/294610516.db2.gz JLQAFNJYQQKLRD-ULQDDVLXSA-N 2 0 338.496 1.413 20 0 EDADRP COc1ccc([C@@H](CNC(=O)[C@H](C[NH3+])OC)[NH+]2CCCCC2)cc1 ZINC000353455931 295213203 /nfs/dbraw/zinc/21/32/03/295213203.db2.gz YYHFLHDQQMKSSL-SJORKVTESA-N 2 0 335.448 1.312 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)C[NH2+]C[C@H]2CCCO2)cc1 ZINC000344039051 295225300 /nfs/dbraw/zinc/22/53/00/295225300.db2.gz AVJRVTUSPUPULA-FGTMMUONSA-N 2 0 347.459 1.026 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C(=O)NCC2([NH3+])CCC2)c1 ZINC000419267524 304583571 /nfs/dbraw/zinc/58/35/71/304583571.db2.gz JPFJJCADBVJRPI-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000419485417 304624774 /nfs/dbraw/zinc/62/47/74/304624774.db2.gz VLQRUHCWBDPGOE-HZPDHXFCSA-N 2 0 338.496 1.001 20 0 EDADRP C[C@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)[C@@H](C)C[NH2+]1 ZINC000417742154 300141386 /nfs/dbraw/zinc/14/13/86/300141386.db2.gz VTKGBRJFDCIPPX-GJZGRUSLSA-N 2 0 330.476 1.477 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CCC[C@@H](CC[NH3+])C1)C(C)C ZINC000419665749 304655378 /nfs/dbraw/zinc/65/53/78/304655378.db2.gz OYZNEPBVOIFSHP-INIZCTEOSA-N 2 0 340.512 1.199 20 0 EDADRP C[C@H]1C[NH+](CC2CC[NH+](CCN3CCOC[C@@H]3C)CC2)C[C@H](C)O1 ZINC000191472728 300252214 /nfs/dbraw/zinc/25/22/14/300252214.db2.gz ZXALOLFVUNEJKE-BZSNNMDCSA-N 2 0 339.524 1.528 20 0 EDADRP CCN(CCC[NH+](CC)CC)C(=O)C(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000420104861 304737753 /nfs/dbraw/zinc/73/77/53/304737753.db2.gz PPZFQPJVOPTJNQ-SFHVURJKSA-N 2 0 340.512 1.073 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H](CC(C)C)C[NH+](C)C ZINC000414750634 447320624 /nfs/dbraw/zinc/32/06/24/447320624.db2.gz MFHOONZMCPMJAW-OAHLLOKOSA-N 2 0 334.464 1.437 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)C(=O)NCC(C)(C)[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000419655500 447323802 /nfs/dbraw/zinc/32/38/02/447323802.db2.gz HNLORCSEYDWSQY-HOCLYGCPSA-N 2 0 346.475 1.009 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000172431467 302948233 /nfs/dbraw/zinc/94/82/33/302948233.db2.gz JRXNLFSFFSSGNR-UHFFFAOYSA-N 2 0 335.496 1.480 20 0 EDADRP C[C@@H](CNC(=O)[C@@H](c1ccccc1)N1CCC(O)CC1)C[NH+](C)C ZINC000293964170 303045240 /nfs/dbraw/zinc/04/52/40/303045240.db2.gz WJCQFXLMYFGFKG-MAUKXSAKSA-N 2 0 333.476 1.498 20 0 EDADRP CCC[NH2+][C@H](C)C(=O)Nc1ccc(N2CCC([NH+](C)C)CC2)cn1 ZINC000295843654 303274596 /nfs/dbraw/zinc/27/45/96/303274596.db2.gz WARSACJDYGPOQC-CQSZACIVSA-N 2 0 333.480 1.939 20 0 EDADRP C[C@@H]1CN(C(=O)NCc2ccnc(OCC[NH+](C)C)c2)C[C@H](C)[N@H+]1C ZINC000296347270 303312223 /nfs/dbraw/zinc/31/22/23/303312223.db2.gz CSKHCFJJHLNOJX-GASCZTMLSA-N 2 0 349.479 1.256 20 0 EDADRP COCC[NH2+]CCNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000414868161 447334542 /nfs/dbraw/zinc/33/45/42/447334542.db2.gz DINDMTLSVGUPGI-UHFFFAOYSA-N 2 0 334.508 1.543 20 0 EDADRP [NH3+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000414865575 447334613 /nfs/dbraw/zinc/33/46/13/447334613.db2.gz DFVWEZFROGWGLM-KRWDZBQOSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)[NH+](CCCNC(=O)C(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1)C(C)C ZINC000419670523 447335319 /nfs/dbraw/zinc/33/53/19/447335319.db2.gz WVSGJIQGPGWASF-HOTGVXAUSA-N 2 0 340.512 1.055 20 0 EDADRP CC(C)(CC[NH3+])NC(=O)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000422603829 304873970 /nfs/dbraw/zinc/87/39/70/304873970.db2.gz AFWZNRLKXVLOGT-WFASDCNBSA-N 2 0 340.418 1.837 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H](C)C2C[NH2+]C2)s1 ZINC000422721831 304879165 /nfs/dbraw/zinc/87/91/65/304879165.db2.gz WCAKAAALDMLRKE-LBPRGKRZSA-N 2 0 345.534 1.519 20 0 EDADRP O=C(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)NCC(F)(F)F ZINC000422938970 304880663 /nfs/dbraw/zinc/88/06/63/304880663.db2.gz FHWAJHZSHHVPFC-IUODEOHRSA-N 2 0 343.349 1.510 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000423020581 304883122 /nfs/dbraw/zinc/88/31/22/304883122.db2.gz CBBHELGXBMYXHO-NHYWBVRUSA-N 2 0 343.830 1.928 20 0 EDADRP COc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])ccc1S(C)(=O)=O ZINC000423282315 304891041 /nfs/dbraw/zinc/89/10/41/304891041.db2.gz VTLUBIVPCDNHAF-UBHSHLNASA-N 2 0 326.462 1.877 20 0 EDADRP C[C@@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000423972011 304921662 /nfs/dbraw/zinc/92/16/62/304921662.db2.gz HOAYPHVPIFPTIZ-AEFFLSMTSA-N 2 0 330.476 1.394 20 0 EDADRP C[C@H]1CN(C(=O)CCC[NH+]2CCN(c3ccccc3)CC2)C[C@@H]1[NH3+] ZINC000423972016 304921758 /nfs/dbraw/zinc/92/17/58/304921758.db2.gz HOAYPHVPIFPTIZ-WMZOPIPTSA-N 2 0 330.476 1.394 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(CCC(=O)NCC(=O)c3ccccc3)C2)C1 ZINC000429027502 305023143 /nfs/dbraw/zinc/02/31/43/305023143.db2.gz ZWLNIIVYGJTCES-LJQANCHMSA-N 2 0 329.444 1.403 20 0 EDADRP CSC[C@H]1CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000429286732 305027659 /nfs/dbraw/zinc/02/76/59/305027659.db2.gz SMAHLSSNINCYJC-AWEZNQCLSA-N 2 0 325.522 1.804 20 0 EDADRP [NH3+]C[C@@H]1CCCN1CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000430569567 305056475 /nfs/dbraw/zinc/05/64/75/305056475.db2.gz LUDFBUBYXHONMW-KRWDZBQOSA-N 2 0 348.516 1.597 20 0 EDADRP Cc1cc(C)cc(OCCN(C)C(=O)C[NH+]2CCC(C[NH3+])CC2)c1 ZINC000430604474 305058327 /nfs/dbraw/zinc/05/83/27/305058327.db2.gz NKMRGIKJCRFCPB-UHFFFAOYSA-N 2 0 333.476 1.811 20 0 EDADRP [NH3+]CCNC(=O)[C@H]1CCC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C1 ZINC000430606476 305058412 /nfs/dbraw/zinc/05/84/12/305058412.db2.gz VWVBWXOLLDQKNE-AWEZNQCLSA-N 2 0 346.406 1.768 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(CNC(=O)COC3C[NH2+]C3)cc2)C1 ZINC000430757374 305064169 /nfs/dbraw/zinc/06/41/69/305064169.db2.gz FUSKKFMQDZIXLR-IYBDPMFKSA-N 2 0 345.487 1.769 20 0 EDADRP COCC[C@]1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[NH2+]C1 ZINC000430772950 305064589 /nfs/dbraw/zinc/06/45/89/305064589.db2.gz OXHAMPJLOKDVOK-LJQANCHMSA-N 2 0 337.508 1.916 20 0 EDADRP CCC[NH+]1CCC(NC(=O)c2nnn(C3CC[NH2+]CC3)c2C)CC1 ZINC000430850238 305066017 /nfs/dbraw/zinc/06/60/17/305066017.db2.gz USMRLEASYNSXPX-UHFFFAOYSA-N 2 0 334.468 1.115 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+](CC(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000430963008 305071275 /nfs/dbraw/zinc/07/12/75/305071275.db2.gz RRPXZKXAUZUGMQ-DZGCQCFKSA-N 2 0 333.432 1.002 20 0 EDADRP COc1ccc(OC)c([C@H](C)NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c1 ZINC000430966734 305071466 /nfs/dbraw/zinc/07/14/66/305071466.db2.gz PLUIWXXEJKVJIS-KBPBESRZSA-N 2 0 349.475 1.940 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NC[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000430967601 305071678 /nfs/dbraw/zinc/07/16/78/305071678.db2.gz UETSASASKPEOOB-SFHVURJKSA-N 2 0 344.503 1.561 20 0 EDADRP CC(C)(C[NH3+])C(=O)NCCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000431003374 305072498 /nfs/dbraw/zinc/07/24/98/305072498.db2.gz GAZFHMNTWBSLHD-UHFFFAOYSA-N 2 0 346.519 1.686 20 0 EDADRP CC(C)([NH3+])c1noc(CN2CCC(OC[C@H]3CCCCO3)CC2)n1 ZINC000431069734 305074206 /nfs/dbraw/zinc/07/42/06/305074206.db2.gz VYUDNEFEKLDVES-CQSZACIVSA-N 2 0 338.452 1.814 20 0 EDADRP COCCCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000432076019 305086966 /nfs/dbraw/zinc/08/69/66/305086966.db2.gz KPGULZBFJCXFKH-GOEBONIOSA-N 2 0 348.491 1.858 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433394229 305107715 /nfs/dbraw/zinc/10/77/15/305107715.db2.gz LBNMKXRJBSTTKF-INIZCTEOSA-N 2 0 348.495 1.589 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC(=O)NCCC[NH+]2CCCO[C@H](C)C2)C1 ZINC000433401359 305108096 /nfs/dbraw/zinc/10/80/96/305108096.db2.gz XRJGMVWAWIXXRB-BRWVUGGUSA-N 2 0 340.512 1.515 20 0 EDADRP CC(C)N(CC[NH+](C)C)S(=O)(=O)c1ccc(C[NH+](C)C)cc1 ZINC000433862265 305114025 /nfs/dbraw/zinc/11/40/25/305114025.db2.gz KASQWGGJSOHOCX-UHFFFAOYSA-N 2 0 327.494 1.709 20 0 EDADRP CCC[N@H+](C)CC(=O)N(Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435576933 305142828 /nfs/dbraw/zinc/14/28/28/305142828.db2.gz XSDIHLYSQUBHQT-CQSZACIVSA-N 2 0 336.505 1.956 20 0 EDADRP CCc1cccc(OCC[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000436049638 305151375 /nfs/dbraw/zinc/15/13/75/305151375.db2.gz LZBGIFUOQMABPB-QGZVFWFLSA-N 2 0 333.476 1.947 20 0 EDADRP CC[N@H+](CCNC(=O)N1CC[NH+](CC(C)(C)O)C[C@@H]1C)C(C)C ZINC000436139513 305152942 /nfs/dbraw/zinc/15/29/42/305152942.db2.gz YQUQZYFDVFGMDT-HNNXBMFYSA-N 2 0 328.501 1.203 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000444266343 305245059 /nfs/dbraw/zinc/24/50/59/305245059.db2.gz NTFUAAUKSHXLGY-UYAOXDASSA-N 2 0 342.487 1.315 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC2([NH+](C)C)CCC2)CC[N@@H+]1CCOC ZINC000446613544 305268054 /nfs/dbraw/zinc/26/80/54/305268054.db2.gz GUELQNFFVSXSSY-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](C[NH2+]Cc1ccnn1-c1ccccc1)CN1CC[NH+](C)CC1 ZINC000447944016 305289458 /nfs/dbraw/zinc/28/94/58/305289458.db2.gz QMFFKCPOMDJBKY-QGZVFWFLSA-N 2 0 327.476 1.845 20 0 EDADRP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)COC1CCC([NH3+])CC1 ZINC000449102947 305306757 /nfs/dbraw/zinc/30/67/57/305306757.db2.gz NBFWEMOSMQZKES-KWJBXHGQSA-N 2 0 325.497 1.756 20 0 EDADRP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2C[N@H+](C)CCN2C)CC1 ZINC000449144125 305307755 /nfs/dbraw/zinc/30/77/55/305307755.db2.gz YICGQWYYGZZXLJ-WIYYLYMNSA-N 2 0 344.547 1.917 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000449604767 305315189 /nfs/dbraw/zinc/31/51/89/305315189.db2.gz UQUDASVOWNMWGG-INIZCTEOSA-N 2 0 332.492 1.833 20 0 EDADRP CCC1([NH2+]CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CCCC1 ZINC000451270635 305335742 /nfs/dbraw/zinc/33/57/42/305335742.db2.gz CHDANZOSYSKGOO-INIZCTEOSA-N 2 0 325.497 1.772 20 0 EDADRP CO[C@@H]1CC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000451577635 305354805 /nfs/dbraw/zinc/35/48/05/305354805.db2.gz VQUZTNBNEQTYCG-RYQLBKOJSA-N 2 0 333.476 1.762 20 0 EDADRP C[NH+](C)CCOc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+]1CCCO ZINC000452346231 305390866 /nfs/dbraw/zinc/39/08/66/305390866.db2.gz GOQONOMILHNVCZ-INIZCTEOSA-N 2 0 349.475 1.204 20 0 EDADRP CC[C@H](C(=O)N[C@H]1CCC[NH+](CCCO)C1)[N@H+](C)Cc1ccccc1 ZINC000452382491 305395940 /nfs/dbraw/zinc/39/59/40/305395940.db2.gz MLOGIXAJLDSODN-RBUKOAKNSA-N 2 0 347.503 1.860 20 0 EDADRP CC(C)(C)OC(=O)N1CCC([NH2+]C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000492868437 305605611 /nfs/dbraw/zinc/60/56/11/305605611.db2.gz VFGXVFAAMULVBV-HNNXBMFYSA-N 2 0 327.469 1.432 20 0 EDADRP CC(C)(C)OC(=O)NC[C@@](C)(O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000496654724 305672422 /nfs/dbraw/zinc/67/24/22/305672422.db2.gz KCAGWJSKIRRGKB-SFHVURJKSA-N 2 0 341.496 1.726 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C[C@@H](O)COC2CCOCC2)C1 ZINC000514789089 305705515 /nfs/dbraw/zinc/70/55/15/305705515.db2.gz VGDLFQOLFMFJFN-KZNAEPCWSA-N 2 0 342.524 1.891 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000520999191 305784332 /nfs/dbraw/zinc/78/43/32/305784332.db2.gz YABZGIITJWFNDB-QGZVFWFLSA-N 2 0 331.464 1.606 20 0 EDADRP C[C@H](CCc1cccn1C)NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524789445 305819970 /nfs/dbraw/zinc/81/99/70/305819970.db2.gz DZJMLNIBXNTBST-MRXNPFEDSA-N 2 0 337.512 1.481 20 0 EDADRP C[C@@H]1CCCC[C@@H]1OCCNC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000524903168 305821039 /nfs/dbraw/zinc/82/10/39/305821039.db2.gz CMXDFKAIXSRRNJ-SJORKVTESA-N 2 0 342.528 1.717 20 0 EDADRP C[C@H](CNC(=O)NC(C)(C)C[NH+]1CCCC1)C[NH+]1CCN(C)CC1 ZINC000458433265 447363590 /nfs/dbraw/zinc/36/35/90/447363590.db2.gz IUPJFUJUSQDLPR-MRXNPFEDSA-N 2 0 339.528 1.044 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000529334508 305909953 /nfs/dbraw/zinc/90/99/53/305909953.db2.gz UONFFIWIPLDHDQ-BBWFWOEESA-N 2 0 338.496 1.304 20 0 EDADRP C[C@@H]1C[N@@H+](CC2CCN(C(=O)[C@@H]3CCC[NH+]3C3CC3)CC2)C[C@H](C)O1 ZINC000425955317 447365891 /nfs/dbraw/zinc/36/58/91/447365891.db2.gz YZMDTAHZSXXVKY-FCEWJHQRSA-N 2 0 349.519 1.961 20 0 EDADRP O=C(NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[C@@H]1C[NH+]2CCN1CCC2 ZINC000535723471 306015032 /nfs/dbraw/zinc/01/50/32/306015032.db2.gz LAZLPNRINXGGLN-OALUTQOASA-N 2 0 348.535 1.537 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3cnc4n[nH]c(C)c4c3)C2)CC1 ZINC000535837142 306018166 /nfs/dbraw/zinc/01/81/66/306018166.db2.gz KJJUWORBMBRGPX-INIZCTEOSA-N 2 0 328.464 1.478 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000544586416 306077043 /nfs/dbraw/zinc/07/70/43/306077043.db2.gz PZZDLPXYBPIYLZ-QGZVFWFLSA-N 2 0 341.496 1.104 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000552039246 306174418 /nfs/dbraw/zinc/17/44/18/306174418.db2.gz WVCMBXIIYNOQQW-UHFFFAOYSA-N 2 0 344.503 1.995 20 0 EDADRP O=C(NC[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000555612898 306204002 /nfs/dbraw/zinc/20/40/02/306204002.db2.gz NBKVXPGBDYMTMZ-ICSRJNTNSA-N 2 0 343.471 1.366 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000557133923 306224693 /nfs/dbraw/zinc/22/46/93/306224693.db2.gz GWGJEBKWPIAMQV-BPQIPLTHSA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]([NH3+])c1ccc(CNC(=O)N2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000557228164 306226940 /nfs/dbraw/zinc/22/69/40/306226940.db2.gz NSUQRTLUUJASDY-NVXWUHKLSA-N 2 0 346.475 1.570 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000414958866 447374372 /nfs/dbraw/zinc/37/43/72/447374372.db2.gz DSLODEKOHGIVMM-YSVLISHTSA-N 2 0 344.459 1.588 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@@H]2CC[C@H]([NH3+])C2)[C@H](c2ccccc2)C1 ZINC000378209538 447407987 /nfs/dbraw/zinc/40/79/87/447407987.db2.gz ZLWOHTLLYLOYDJ-SQNIBIBYSA-N 2 0 330.476 1.219 20 0 EDADRP CC[C@H]1C[C@@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CCO1 ZINC000422228649 447411494 /nfs/dbraw/zinc/41/14/94/447411494.db2.gz AMPGWHMYSLPDHD-IRXDYDNUSA-N 2 0 342.528 1.859 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NCC1([NH3+])CCCCC1)C(C)C ZINC000419798823 447419774 /nfs/dbraw/zinc/41/97/74/447419774.db2.gz BDZJVOCBCFVVBP-UHFFFAOYSA-N 2 0 340.512 1.341 20 0 EDADRP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1 ZINC000493962555 447421938 /nfs/dbraw/zinc/42/19/38/447421938.db2.gz VHXIBYKDNFLXTJ-UONOGXRCSA-N 2 0 346.475 1.348 20 0 EDADRP CC[NH+]1CCC[C@H]1CNc1cc(NC[C@@H]2CCC[N@H+]2CC)ncn1 ZINC000450219838 447435227 /nfs/dbraw/zinc/43/52/27/447435227.db2.gz XFSZSYFNQDMTAH-HOTGVXAUSA-N 2 0 332.496 2.269 20 0 EDADRP O=C(NCCCC[NH+]1CCOCC1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000046750584 441120963 /nfs/dbraw/zinc/12/09/63/441120963.db2.gz FQRLNOHRMODPFP-UHFFFAOYSA-N 2 0 347.463 1.026 20 0 EDADRP CC[NH+]1CCC(NC(=O)N(C)CC[N@H+](C)C2CCN(C)CC2)CC1 ZINC000105084313 441231136 /nfs/dbraw/zinc/23/11/36/441231136.db2.gz AERNVOFMMYJNNA-UHFFFAOYSA-N 2 0 339.528 1.138 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)NC[C@@H]1CCC[NH+](C(C)C)C1 ZINC000105147272 441238747 /nfs/dbraw/zinc/23/87/47/441238747.db2.gz VUJFNBHRUPNKPR-INIZCTEOSA-N 2 0 328.501 1.374 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000105198252 441242255 /nfs/dbraw/zinc/24/22/55/441242255.db2.gz FOZQJXNIIPOIQS-INIZCTEOSA-N 2 0 328.501 1.326 20 0 EDADRP CC[NH+]1CCN(CC(=O)N(CC[NH+](C)C)CC2CCCCC2)CC1 ZINC000081289093 441248785 /nfs/dbraw/zinc/24/87/85/441248785.db2.gz IEEQFWPKJJKWJV-UHFFFAOYSA-N 2 0 338.540 1.594 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)CCOCC1 ZINC000073236162 441303953 /nfs/dbraw/zinc/30/39/53/441303953.db2.gz REKSJCBYTZRRFD-UHFFFAOYSA-N 2 0 347.463 1.024 20 0 EDADRP O=C(CN1CCC[C@H]([NH+]2CCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000064508659 441381992 /nfs/dbraw/zinc/38/19/92/441381992.db2.gz GGQXUBKMUJOMDV-SFHVURJKSA-N 2 0 334.508 1.290 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@H](O)COCc3ccccc3)C2)CC1 ZINC000107369917 441413008 /nfs/dbraw/zinc/41/30/08/441413008.db2.gz QDGPJTAVOJPSBX-UXHICEINSA-N 2 0 347.503 1.276 20 0 EDADRP CCC[NH+]1CCC(NC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)CC1 ZINC000074710553 441459177 /nfs/dbraw/zinc/45/91/77/441459177.db2.gz VBINGGGSAVSMNG-QGZVFWFLSA-N 2 0 340.512 1.613 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)CC[C@@H]2C)C1 ZINC000076150022 441604136 /nfs/dbraw/zinc/60/41/36/441604136.db2.gz CZAPKEUITVQTKU-IXDOHACOSA-N 2 0 325.497 1.580 20 0 EDADRP COCCN(CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000090965316 441645774 /nfs/dbraw/zinc/64/57/74/441645774.db2.gz WMDASTKCCMTSSL-CABCVRRESA-N 2 0 329.485 1.800 20 0 EDADRP C[C@H]([NH2+]CCC[NH+](C)C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000158751713 441760305 /nfs/dbraw/zinc/76/03/05/441760305.db2.gz GKOSFVUXJTYBHD-FUHWJXTLSA-N 2 0 349.475 1.954 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)NC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000077574215 441808488 /nfs/dbraw/zinc/80/84/88/441808488.db2.gz WMLONWDCRYNWCI-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CCCCNC(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173957613 441868376 /nfs/dbraw/zinc/86/83/76/441868376.db2.gz DJRQWRMTGODFKX-MRXNPFEDSA-N 2 0 325.497 1.868 20 0 EDADRP CC1CCN(C(=O)C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000173955039 441869088 /nfs/dbraw/zinc/86/90/88/441869088.db2.gz HLMDUJIPZREVTD-UHFFFAOYSA-N 2 0 337.508 1.822 20 0 EDADRP CC[N@H+](CCNC(=O)NC1CC[NH+](C[C@@H]2CCOC2)CC1)C1CC1 ZINC000077662687 441825030 /nfs/dbraw/zinc/82/50/30/441825030.db2.gz PWWSHKWOOLZKEY-HNNXBMFYSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CCC([N@@H+]2CCO[C@H](C)C2)CC1 ZINC000068591695 441828666 /nfs/dbraw/zinc/82/86/66/441828666.db2.gz BPWZYJQRAPOCRM-LSDHHAIUSA-N 2 0 326.485 1.221 20 0 EDADRP C[NH+]1CCC(O)(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000077754333 441848814 /nfs/dbraw/zinc/84/88/14/441848814.db2.gz DUDHHHMUSMVHEO-QGZVFWFLSA-N 2 0 346.475 1.017 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nnc[nH]2)CC1 ZINC000119026135 441914097 /nfs/dbraw/zinc/91/40/97/441914097.db2.gz YZKBBWRRNABSNK-UHFFFAOYSA-N 2 0 328.464 1.669 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000174130976 441891113 /nfs/dbraw/zinc/89/11/13/441891113.db2.gz HRIWVLBVHGGQQK-GOSISDBHSA-N 2 0 345.491 1.830 20 0 EDADRP O=C(Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1)[C@@]1(F)CC[NH2+]C1 ZINC000151141215 442012774 /nfs/dbraw/zinc/01/27/74/442012774.db2.gz JKZVEHDXUBMYTA-QGZVFWFLSA-N 2 0 335.379 1.236 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)C[C@H](C)O1 ZINC000079093359 442018179 /nfs/dbraw/zinc/01/81/79/442018179.db2.gz PMOJYYORIOCTTA-YYIAUSFCSA-N 2 0 338.496 1.412 20 0 EDADRP CC(=O)N(C)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000120225283 442031778 /nfs/dbraw/zinc/03/17/78/442031778.db2.gz CXSHDYHFMMPXBU-UHFFFAOYSA-N 2 0 349.479 1.626 20 0 EDADRP C[C@H]1C[C@@H]([NH2+]C2CCN(S(=O)(=O)C3CC3)CC2)CN1C1CC1 ZINC000120478271 442079389 /nfs/dbraw/zinc/07/93/89/442079389.db2.gz NHYPRMHGSOUBRX-GXTWGEPZSA-N 2 0 327.494 1.158 20 0 EDADRP CCO[C@H]1C[C@H]([N@H+](C)CC(=O)N2CCN(C)CC2)C12CCCCC2 ZINC000121138088 442181819 /nfs/dbraw/zinc/18/18/19/442181819.db2.gz DPGLYICQZAVNPP-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP COCC[NH2+]CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000166560266 442217141 /nfs/dbraw/zinc/21/71/41/442217141.db2.gz IGVQOFTXQKVJPN-UHFFFAOYSA-N 2 0 325.497 1.724 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000152476221 442217630 /nfs/dbraw/zinc/21/76/30/442217630.db2.gz GEBSKKDUMAJSRD-ZIAGYGMSSA-N 2 0 337.489 1.730 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N2CCN(c3ccccn3)CC2)C[N@@H+]1C1CC1 ZINC000127925074 442233818 /nfs/dbraw/zinc/23/38/18/442233818.db2.gz HGZPGKQFQDLXIL-HUUCEWRRSA-N 2 0 329.448 1.538 20 0 EDADRP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)NCCN2CCOCC2(C)C)C1 ZINC000176583875 442236795 /nfs/dbraw/zinc/23/67/95/442236795.db2.gz QQGRVHNCCGEDTG-CABCVRRESA-N 2 0 326.485 1.125 20 0 EDADRP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000128095436 442245124 /nfs/dbraw/zinc/24/51/24/442245124.db2.gz RZCUNVHWGKGNCK-KRWDZBQOSA-N 2 0 344.503 1.832 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000153107580 442261723 /nfs/dbraw/zinc/26/17/23/442261723.db2.gz UKCBYVJCXRMOBR-INIZCTEOSA-N 2 0 333.480 1.890 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2CCSC2)CC1 ZINC000128450471 442266796 /nfs/dbraw/zinc/26/67/96/442266796.db2.gz IAFIGXDFOLFBEE-MRXNPFEDSA-N 2 0 343.537 1.429 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@H+](C)[C@@H]1CCSC1)c1cccs1 ZINC000153241171 442270072 /nfs/dbraw/zinc/27/00/72/442270072.db2.gz UDJSVRMPEAUBDX-CHWSQXEVSA-N 2 0 327.519 1.904 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000171212086 442328764 /nfs/dbraw/zinc/32/87/64/442328764.db2.gz UORPKCFBDLFCHS-UHFFFAOYSA-N 2 0 326.485 1.082 20 0 EDADRP C[C@@H](C(=O)NCC[N@@H+]1CCc2ccccc2C1)N1CCSCC1 ZINC000130978024 442361130 /nfs/dbraw/zinc/36/11/30/442361130.db2.gz CSKVBCWMLNCYMV-HNNXBMFYSA-N 2 0 333.501 1.598 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000133207082 442408808 /nfs/dbraw/zinc/40/88/08/442408808.db2.gz AKQPOTRVQYFYJN-MOPGFXCFSA-N 2 0 343.471 1.488 20 0 EDADRP C[NH+](C)[C@@H]1CCCN(CCOCCN2CCC[C@H]([NH+](C)C)C2)C1 ZINC000178698720 442458013 /nfs/dbraw/zinc/45/80/13/442458013.db2.gz LWFBFTBSGJAQRR-HDICACEKSA-N 2 0 326.529 1.055 20 0 EDADRP COc1cc(CNC(=O)[C@@H]2CCCC[NH2+]2)ccc1OCC[NH+](C)C ZINC000178720101 442462778 /nfs/dbraw/zinc/46/27/78/442462778.db2.gz WKFHOAKJYJTBLD-HNNXBMFYSA-N 2 0 335.448 1.394 20 0 EDADRP C[C@@H](C[NH+]1CCCCCC1)NC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000186117542 442466447 /nfs/dbraw/zinc/46/64/47/442466447.db2.gz DJNNTEZDNSNHMV-INIZCTEOSA-N 2 0 340.512 1.349 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)NCC3=CC[NH2+]CC3)cc2)CC1 ZINC000186309504 442509339 /nfs/dbraw/zinc/50/93/39/442509339.db2.gz MSDDCBWCVHAGFO-UHFFFAOYSA-N 2 0 328.460 1.084 20 0 EDADRP O=C1OCC[C@@]12CCC[NH+]2CCCC[N@H+]1CCC[C@@]12CCOC2=O ZINC000186631643 442578257 /nfs/dbraw/zinc/57/82/57/442578257.db2.gz HJGZJGHSQHMFGY-ROUUACIJSA-N 2 0 336.432 1.330 20 0 EDADRP CC(C)C[C@@H](CNC(=O)N(CC[NH+](C)C)C(C)C)N1CCOCC1 ZINC000157403502 442580359 /nfs/dbraw/zinc/58/03/59/442580359.db2.gz RSYYDLGQYFQHLY-KRWDZBQOSA-N 2 0 342.528 1.715 20 0 EDADRP CC[C@@]1(CO)CCC[N@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000187576651 442681740 /nfs/dbraw/zinc/68/17/40/442681740.db2.gz XSPFTAJDVJCQEV-AZUAARDMSA-N 2 0 347.503 1.890 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](Cn3ccnn3)C2)CC1 ZINC000192776681 442685463 /nfs/dbraw/zinc/68/54/63/442685463.db2.gz LKHKURRZONBJCV-SFHVURJKSA-N 2 0 334.512 1.406 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000193291844 442730288 /nfs/dbraw/zinc/73/02/88/442730288.db2.gz BZOURDUEYBEVIG-QGZVFWFLSA-N 2 0 342.528 1.572 20 0 EDADRP CCOC1CC(C[NH2+]C2CC[NH+](C(C)C)CC2)(N2CCOCC2)C1 ZINC000193393659 442738869 /nfs/dbraw/zinc/73/88/69/442738869.db2.gz ILBODVNNJHRFGB-UHFFFAOYSA-N 2 0 339.524 1.719 20 0 EDADRP O[C@H](COC[C@@H]1CCCO1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193080690 442711342 /nfs/dbraw/zinc/71/13/42/442711342.db2.gz YZIFIYBQROMTLG-ROUUACIJSA-N 2 0 326.481 1.351 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000246726101 442808313 /nfs/dbraw/zinc/80/83/13/442808313.db2.gz XBHXEMASVKEACF-GDBMZVCRSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@@H]([NH2+]CC1(C[NH2+][C@@H](C)C2CCOCC2)COC1)C1CCOCC1 ZINC000182438883 442767082 /nfs/dbraw/zinc/76/70/82/442767082.db2.gz WTMMQHPSYFMNQR-IYBDPMFKSA-N 2 0 340.508 1.812 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CCCC[C@@H]2S(C)(=O)=O)CC1 ZINC000182824950 442830838 /nfs/dbraw/zinc/83/08/38/442830838.db2.gz SRTUJDSZMYMRGZ-IKGGRYGDSA-N 2 0 345.553 1.205 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000182830141 442832449 /nfs/dbraw/zinc/83/24/49/442832449.db2.gz RCCANAGUJRDDSF-QGZVFWFLSA-N 2 0 339.528 1.140 20 0 EDADRP O=C(NC1CC[NH+](C2CCCCC2)CC1)c1[nH]nc2c1C[NH2+]CC2 ZINC000188782421 442811912 /nfs/dbraw/zinc/81/19/12/442811912.db2.gz ZFLYVQKPXYIZJG-UHFFFAOYSA-N 2 0 331.464 1.582 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)c3n[nH]c4c3C[NH2+]CC4)cc2)CC1 ZINC000188795506 442815485 /nfs/dbraw/zinc/81/54/85/442815485.db2.gz BMZJKTCXIIBZCI-UHFFFAOYSA-N 2 0 340.431 1.060 20 0 EDADRP C[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000194090066 442844491 /nfs/dbraw/zinc/84/44/91/442844491.db2.gz BWQQWNZUMSRLOZ-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C1 ZINC000247413749 442852693 /nfs/dbraw/zinc/85/26/93/442852693.db2.gz JQOBYFDXKRQEJL-HOTGVXAUSA-N 2 0 341.496 1.822 20 0 EDADRP CC(C)CNC(=O)C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000182987426 442860037 /nfs/dbraw/zinc/86/00/37/442860037.db2.gz YXVCTKWORUVUEA-UHFFFAOYSA-N 2 0 325.497 1.583 20 0 EDADRP C[C@@H]1CN(C(=O)NCC2([NH+](C)C)Cc3ccccc3C2)C[C@H]1[NH+](C)C ZINC000268132528 442863126 /nfs/dbraw/zinc/86/31/26/442863126.db2.gz DRQWRNXUTNMNMX-CRAIPNDOSA-N 2 0 344.503 1.677 20 0 EDADRP CC[C@@H](COC)NC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000265714896 442891611 /nfs/dbraw/zinc/89/16/11/442891611.db2.gz DUTIFZKNGUOPIK-INIZCTEOSA-N 2 0 349.479 1.318 20 0 EDADRP C[N@H+](CCO)C1CCN(C[C@@H](O)COc2cccc3[nH]ccc32)CC1 ZINC000268432976 442987271 /nfs/dbraw/zinc/98/72/71/442987271.db2.gz IWVLURGKUDVWRD-MRXNPFEDSA-N 2 0 347.459 1.296 20 0 EDADRP Cc1ccc(OC[C@@H](O)C[N@@H+]2CC[C@H](CN3CCOCC3)C2)c(C)c1 ZINC000265981669 442992918 /nfs/dbraw/zinc/99/29/18/442992918.db2.gz BMIHMDPJAMKVAX-MOPGFXCFSA-N 2 0 348.487 1.697 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC000268461770 442997842 /nfs/dbraw/zinc/99/78/42/442997842.db2.gz ZNUHLIUICBSJEZ-UHFFFAOYSA-N 2 0 347.503 1.848 20 0 EDADRP C[C@@H]1CC[C@@H](C[NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)O1 ZINC000190590102 443143462 /nfs/dbraw/zinc/14/34/62/443143462.db2.gz JNKCFZHFDYJAJQ-WBVHZDCISA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(NS(C)(=O)=O)cc1 ZINC000268985018 443165827 /nfs/dbraw/zinc/16/58/27/443165827.db2.gz LGFMDKWPUFQCIY-ZDUSSCGKSA-N 2 0 341.477 1.165 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000266578922 443174643 /nfs/dbraw/zinc/17/46/43/443174643.db2.gz WZDPTIBIEHEZGS-CQSZACIVSA-N 2 0 342.509 1.618 20 0 EDADRP Cc1cccc(N2CC[NH+](CCC(=O)N3CC[C@H]([NH3+])[C@H](C)C3)CC2)c1 ZINC000269232511 443242766 /nfs/dbraw/zinc/24/27/66/443242766.db2.gz ARJAFQKSMNEPRU-MJGOQNOKSA-N 2 0 344.503 1.703 20 0 EDADRP CC(C)[C@@H](C(=O)NCC[C@@H]1CCC[NH2+]C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000262576953 443200452 /nfs/dbraw/zinc/20/04/52/443200452.db2.gz KXFBTIOJLBNPFK-NCOADZHNSA-N 2 0 325.497 1.626 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1nc(C(C)(C)[NH3+])no1 ZINC000382769547 319125135 /nfs/dbraw/zinc/12/51/35/319125135.db2.gz ZTDILIYEYGAXTI-AWEZNQCLSA-N 2 0 329.448 1.970 20 0 EDADRP Cc1cc(NC(=O)C(=O)NC[C@H](C)C[NH+](C)C)ccc1C[NH+](C)C ZINC000411554534 319183891 /nfs/dbraw/zinc/18/38/91/319183891.db2.gz TZHNORCEMFOTPI-ZDUSSCGKSA-N 2 0 334.464 1.309 20 0 EDADRP C[C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)[N@H+](C)Cc1ccccc1 ZINC000266815027 443253539 /nfs/dbraw/zinc/25/35/39/443253539.db2.gz DOYVNMABKQVSGD-INIZCTEOSA-N 2 0 333.476 1.470 20 0 EDADRP CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)c1 ZINC000414188393 319318205 /nfs/dbraw/zinc/31/82/05/319318205.db2.gz QQKBATOEXHMFCG-CABCVRRESA-N 2 0 339.505 1.977 20 0 EDADRP C[N@H+](CCOc1ccccc1Cl)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414673143 319339144 /nfs/dbraw/zinc/33/91/44/319339144.db2.gz BVBGMYUHECXYLP-CQSZACIVSA-N 2 0 339.867 1.848 20 0 EDADRP CCN(CCC[NH+]1CCCC1)C(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000415182479 319348031 /nfs/dbraw/zinc/34/80/31/319348031.db2.gz HJWHYJZWOCYCIP-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000415237065 319355199 /nfs/dbraw/zinc/35/51/99/319355199.db2.gz HOJWNRXSNAIQNL-KBPBESRZSA-N 2 0 349.479 1.694 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000415236416 319355216 /nfs/dbraw/zinc/35/52/16/319355216.db2.gz FSSZSPPXOGKSKC-UKRRQHHQSA-N 2 0 347.463 1.486 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC2(C)C)c1 ZINC000415294846 319360223 /nfs/dbraw/zinc/36/02/23/319360223.db2.gz KYPKMAFFPJZJDR-UHFFFAOYSA-N 2 0 332.448 1.335 20 0 EDADRP C[C@@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415736784 319368130 /nfs/dbraw/zinc/36/81/30/319368130.db2.gz FYGURLYOQJYVEV-PBHICJAKSA-N 2 0 344.459 1.559 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415793183 319370272 /nfs/dbraw/zinc/37/02/72/319370272.db2.gz UUMREIQTQBEJHR-HNNXBMFYSA-N 2 0 332.448 1.117 20 0 EDADRP C[C@@H]1CCN(C(=O)C(=O)Nc2ccc(CC[NH+](C)C)cc2)C[C@@H]1C[NH3+] ZINC000415838914 319376941 /nfs/dbraw/zinc/37/69/41/319376941.db2.gz DOTUOZRJZZXLRO-ZBFHGGJFSA-N 2 0 346.475 1.173 20 0 EDADRP CC(C)[C@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)N(C)CC[NH3+])c2C1 ZINC000415875283 319381081 /nfs/dbraw/zinc/38/10/81/319381081.db2.gz CUAINLSATAVFEI-ZDUSSCGKSA-N 2 0 332.448 1.402 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000415962200 319385752 /nfs/dbraw/zinc/38/57/52/319385752.db2.gz WUBYUBLYSSPSIC-GJZGRUSLSA-N 2 0 334.464 1.715 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cc1 ZINC000415986049 319387418 /nfs/dbraw/zinc/38/74/18/319387418.db2.gz UMPRCNHAGLYJFG-MSOLQXFVSA-N 2 0 346.475 1.905 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)NC(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000415984373 319387550 /nfs/dbraw/zinc/38/75/50/319387550.db2.gz PHNRUXZOXUOZRB-UHFFFAOYSA-N 2 0 347.507 1.944 20 0 EDADRP CC(C)[C@@H](C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[NH+](C)C ZINC000269300083 443273172 /nfs/dbraw/zinc/27/31/72/443273172.db2.gz XNPXVMUFWPLXLB-SFHVURJKSA-N 2 0 335.492 1.872 20 0 EDADRP C[NH+](C)CCC1CC[NH+](CCNS(=O)(=O)c2ccccc2)CC1 ZINC000264471712 443303290 /nfs/dbraw/zinc/30/32/90/443303290.db2.gz VEEBDYOZEPUSQR-UHFFFAOYSA-N 2 0 339.505 1.629 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N[C@@H](C)CC[NH3+])[NH+](C)C)cc1OC ZINC000416816083 319463177 /nfs/dbraw/zinc/46/31/77/319463177.db2.gz ILEFPHCYLSUWEX-GXTWGEPZSA-N 2 0 338.452 1.343 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000418006274 319498781 /nfs/dbraw/zinc/49/87/81/319498781.db2.gz ZTLHWDBZLOIPRL-HNNXBMFYSA-N 2 0 334.464 1.350 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000272490589 443337289 /nfs/dbraw/zinc/33/72/89/443337289.db2.gz CCGRYVICRJNSGO-UKBAYJJMSA-N 2 0 345.487 1.468 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000418684746 319511677 /nfs/dbraw/zinc/51/16/77/319511677.db2.gz HKHRTPDVRDGAEN-BRWVUGGUSA-N 2 0 339.528 1.314 20 0 EDADRP C[NH+](C)C1(CNC(=O)C(=O)N[C@@H](C[NH3+])C2CCCCC2)CCCC1 ZINC000418831616 319521425 /nfs/dbraw/zinc/52/14/25/319521425.db2.gz LHTQCZSLFHDESP-HNNXBMFYSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1)c1ccsc1 ZINC000278978723 443479825 /nfs/dbraw/zinc/47/98/25/443479825.db2.gz JRNMXVCULFSLMX-XHDPSFHLSA-N 2 0 333.461 1.581 20 0 EDADRP CO[C@H](C)CCC(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000272805987 443452784 /nfs/dbraw/zinc/45/27/84/443452784.db2.gz IHOJYMIFTQVEEY-MRXNPFEDSA-N 2 0 334.464 1.525 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000422599077 319719957 /nfs/dbraw/zinc/71/99/57/319719957.db2.gz PIHOAKMOEXQHAO-KRWDZBQOSA-N 2 0 330.476 1.697 20 0 EDADRP C[NH+](C)CCOc1ccc(CCNC(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000264891079 443469108 /nfs/dbraw/zinc/46/91/08/443469108.db2.gz SJMZUTOWMRKNEY-UHFFFAOYSA-N 2 0 348.491 1.563 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ncccc2N(C)C)CC[NH2+]CC1 ZINC000423125279 319751153 /nfs/dbraw/zinc/75/11/53/319751153.db2.gz QDOJHJWXQJFIDA-CQSZACIVSA-N 2 0 334.464 1.559 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(OCC[NH+]2CCCC2)CC1)[C@H](C)[NH3+] ZINC000423452990 319777790 /nfs/dbraw/zinc/77/77/90/319777790.db2.gz ZVMCQJWZHYJPPD-DOTOQJQBSA-N 2 0 325.497 1.709 20 0 EDADRP Cc1nccc(N2CCN(C(=O)N[C@@H]3C[N@H+](C4CC4)C[C@@H]3C)CC2)n1 ZINC000274252056 443600194 /nfs/dbraw/zinc/60/01/94/443600194.db2.gz SXSDFVRPWBNUJH-XJKSGUPXSA-N 2 0 344.463 1.099 20 0 EDADRP CC(C)[C@H](C[NH3+])C(=O)N1CCC(C[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000433151845 319972161 /nfs/dbraw/zinc/97/21/61/319972161.db2.gz PENFIKFPUDAXQY-INMHGKMJSA-N 2 0 325.497 1.565 20 0 EDADRP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433374353 319978262 /nfs/dbraw/zinc/97/82/62/319978262.db2.gz FOEDXVMDECVPTG-HNNXBMFYSA-N 2 0 342.447 1.825 20 0 EDADRP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)CN1CC[NH+](C)CC1 ZINC000438995192 320037735 /nfs/dbraw/zinc/03/77/35/320037735.db2.gz NFIUPKHTCPTHLF-CABCVRRESA-N 2 0 348.491 1.940 20 0 EDADRP CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440274413 320067896 /nfs/dbraw/zinc/06/78/96/320067896.db2.gz TZFGHSSUHKGOKP-SJORKVTESA-N 2 0 325.497 1.866 20 0 EDADRP O=C(N1CC[NH+](C[C@H]2CCOC2)CC1)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000449365326 320184695 /nfs/dbraw/zinc/18/46/95/320184695.db2.gz TUAIRUDFDBNAMS-YLJYHZDGSA-N 2 0 343.471 1.098 20 0 EDADRP O=C(NC[C@@H](O)C[NH+]1CCCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000450242572 320216072 /nfs/dbraw/zinc/21/60/72/320216072.db2.gz LRYKSZLWTKLDCL-MSOLQXFVSA-N 2 0 337.508 1.747 20 0 EDADRP C[C@H]1C[N@H+](CCO)CCN1CCC[NH+]1CCN(c2ccccc2)CC1 ZINC000452123779 320243421 /nfs/dbraw/zinc/24/34/21/320243421.db2.gz IJXUJGDGMUUHEL-IBGZPJMESA-N 2 0 346.519 1.197 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC3CC[NH+](CC4CCCC4)CC3)C[C@@H]21 ZINC000454410506 320287756 /nfs/dbraw/zinc/28/77/56/320287756.db2.gz UGYWGAPXEXIKBF-AEFFLSMTSA-N 2 0 334.508 1.987 20 0 EDADRP C[C@@H](C(=O)NC(C)(C)C[NH+](C)C)[C@@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000457256190 320322803 /nfs/dbraw/zinc/32/28/03/320322803.db2.gz ZAHMVYNCYAWHPZ-ZIAGYGMSSA-N 2 0 342.528 1.171 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000459314859 320346194 /nfs/dbraw/zinc/34/61/94/320346194.db2.gz PFKLYEVITOATQS-SJORKVTESA-N 2 0 339.528 1.044 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(CC)CC2)[C@H]1SC ZINC000459381234 320347894 /nfs/dbraw/zinc/34/78/94/320347894.db2.gz USUKYTOZFPOZTB-BRWVUGGUSA-N 2 0 329.554 1.903 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C2CC(C)(C)C2)C1 ZINC000459738008 320349348 /nfs/dbraw/zinc/34/93/48/320349348.db2.gz JAYHQZYGYBATBA-MRXNPFEDSA-N 2 0 325.497 1.580 20 0 EDADRP C[C@@H](CC[NH+](C)C)NC(=O)N1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276424539 443702542 /nfs/dbraw/zinc/70/25/42/443702542.db2.gz LMROFNYUPKKRCQ-WMZOPIPTSA-N 2 0 347.507 1.885 20 0 EDADRP O[C@@H](CNC1CC[NH+](C2CC2)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000298228557 443725895 /nfs/dbraw/zinc/72/58/95/443725895.db2.gz BDGGIOHYOULRPJ-FQEVSTJZSA-N 2 0 329.488 1.622 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)c2ccccc2)CC1 ZINC000521037480 320481697 /nfs/dbraw/zinc/48/16/97/320481697.db2.gz ICYNQRNLSDCQRN-WSTZPKSXSA-N 2 0 342.487 1.091 20 0 EDADRP C[NH+](C)C1(CNC(=O)c2ccc3c(c2)CC[NH2+]CC3)CCOCC1 ZINC000276547188 443743094 /nfs/dbraw/zinc/74/30/94/443743094.db2.gz DWBAPYGZOQBRQT-UHFFFAOYSA-N 2 0 331.460 1.215 20 0 EDADRP COc1cc(C[NH+]2CCC[C@H](O)C2)cc(C[N@@H+]2CCC[C@H](O)C2)c1 ZINC000292683259 443816673 /nfs/dbraw/zinc/81/66/73/443816673.db2.gz RHGNPFSTBCNEHC-ROUUACIJSA-N 2 0 334.460 1.609 20 0 EDADRP CC(C)OC[C@H](O)C[N@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000285336221 443946238 /nfs/dbraw/zinc/94/62/38/443946238.db2.gz CHXAXXPSAUAYMW-HXUWFJFHSA-N 2 0 349.519 1.522 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000561188114 321035839 /nfs/dbraw/zinc/03/58/39/321035839.db2.gz IPWQHECRZBSDRP-BPQIPLTHSA-N 2 0 330.476 1.806 20 0 EDADRP CN1CCN(C(=O)N[C@H](C[NH3+])c2ccc3ccccc3c2)[C@@H](C[NH3+])C1 ZINC000561214898 321036385 /nfs/dbraw/zinc/03/63/85/321036385.db2.gz DYTFBIPDXUYSNN-ZWKOTPCHSA-N 2 0 341.459 1.124 20 0 EDADRP O=C(CN1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCc1ccc2c(c1)OCO2 ZINC000561278748 321038350 /nfs/dbraw/zinc/03/83/50/321038350.db2.gz SHZSLVGALNYHOC-CVEARBPZSA-N 2 0 345.443 1.496 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000562803794 321077166 /nfs/dbraw/zinc/07/71/66/321077166.db2.gz BNZGQJDQWLHTCF-CRAIPNDOSA-N 2 0 344.503 1.997 20 0 EDADRP CCN1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1ncc[nH]1 ZINC000562819575 321079173 /nfs/dbraw/zinc/07/91/73/321079173.db2.gz PTSNFBSIVDFNHX-QLFBSQMISA-N 2 0 334.468 1.315 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N(C)CCC[NH3+])cc2)C[C@@H](C)O1 ZINC000564187884 321123266 /nfs/dbraw/zinc/12/32/66/321123266.db2.gz LNQGXHWITDMNKO-HZPDHXFCSA-N 2 0 348.491 1.786 20 0 EDADRP C[C@H]([NH2+]CC1(O)CC[NH+](C)CC1)c1ccc(Br)cn1 ZINC000564779338 321147345 /nfs/dbraw/zinc/14/73/45/321147345.db2.gz QFPCKAXGBSMCBT-NSHDSACASA-N 2 0 328.254 1.951 20 0 EDADRP CCC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000564824355 321150316 /nfs/dbraw/zinc/15/03/16/321150316.db2.gz IZGSEXMQRCFSDT-GMBSWORKSA-N 2 0 329.444 1.843 20 0 EDADRP COC(=O)c1ccc(OC[C@H](O)C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000564856862 321151989 /nfs/dbraw/zinc/15/19/89/321151989.db2.gz ZAQYRGJPPWZVIW-FVQBIDKESA-N 2 0 336.432 1.285 20 0 EDADRP CCC[N@H+](C[C@H](O)CN(C)CCOC)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000565549727 321191238 /nfs/dbraw/zinc/19/12/38/321191238.db2.gz PBOCQZBMMMQGLS-TWMKSMIVSA-N 2 0 328.497 1.451 20 0 EDADRP Cc1ccc(NC(=O)CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)nc1 ZINC000566078153 321213566 /nfs/dbraw/zinc/21/35/66/321213566.db2.gz VFPOPLRGGYVYFZ-YESZJQIVSA-N 2 0 346.475 1.902 20 0 EDADRP CC(C)[NH+]1CCC(O)(CNC(=O)NCCC2CC[NH+](C)CC2)CC1 ZINC000566907370 321236080 /nfs/dbraw/zinc/23/60/80/321236080.db2.gz KUOJSSSXSUIWPX-UHFFFAOYSA-N 2 0 340.512 1.253 20 0 EDADRP 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KGCFXONAEIZEMX-ZWKOTPCHSA-N 2 0 328.460 1.756 20 0 EDADRP C[NH+]1CCC([C@@H]2CCN(C(=O)N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000339638810 445156317 /nfs/dbraw/zinc/15/63/17/445156317.db2.gz JSRFJAMMNALLTB-KZNAEPCWSA-N 2 0 334.508 1.987 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@@H]1c1ccnn1C ZINC000343409616 445217428 /nfs/dbraw/zinc/21/74/28/445217428.db2.gz SKILQRDOHWKTFL-WMZOPIPTSA-N 2 0 338.415 1.929 20 0 EDADRP CO[C@@H]1C[C@@H](CN(C)C(=O)NCC[N@H+](C)Cc2ccccc2)[NH+](C)C1 ZINC000346727955 445224482 /nfs/dbraw/zinc/22/44/82/445224482.db2.gz JWWSVEBXVBBSMN-ZWKOTPCHSA-N 2 0 348.491 1.479 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000343471185 445229145 /nfs/dbraw/zinc/22/91/45/445229145.db2.gz FDMQPKLCIHVOCF-FUHWJXTLSA-N 3 0 345.491 1.098 20 0 EDADRP C[C@@H](CO)[N@@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000347193155 445233964 /nfs/dbraw/zinc/23/39/64/445233964.db2.gz JGGRWDWBDBUGBJ-IRXDYDNUSA-N 2 0 337.508 1.556 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)C1CC[NH+](CC2(O)CCC2)CC1 ZINC000343512182 445236183 /nfs/dbraw/zinc/23/61/83/445236183.db2.gz FKNRAANMRKSAAR-UHFFFAOYSA-N 2 0 337.508 1.606 20 0 EDADRP Cc1[nH+]ccc(NC2C[C@H]3CC[C@@H](C2)[N@H+]3CC(=O)N(C)C)c1Cl ZINC000343514302 445237130 /nfs/dbraw/zinc/23/71/30/445237130.db2.gz DALCARXMUPIEGJ-AGUYFDCRSA-N 2 0 336.867 1.961 20 0 EDADRP COc1cc2c(cc1OC)CN(CCNC(=O)C[N@H+](C)C(C)C)CC2 ZINC000343522361 445238133 /nfs/dbraw/zinc/23/81/33/445238133.db2.gz RJUOHQDCVYOGSN-UHFFFAOYSA-N 2 0 349.475 1.518 20 0 EDADRP C[C@@H](CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)[NH+](C)Cc1ccccc1 ZINC000343582636 445251110 /nfs/dbraw/zinc/25/11/10/445251110.db2.gz QULPBJWJJFROHX-WMZOPIPTSA-N 2 0 330.476 1.013 20 0 EDADRP C[C@H](NC(=O)C(=O)NCC[N@H+](C)C1CCCC1)C(C)(C)C[NH+](C)C ZINC000343686942 445303315 /nfs/dbraw/zinc/30/33/15/445303315.db2.gz WDTVLWSXVYWUND-AWEZNQCLSA-N 2 0 340.512 1.070 20 0 EDADRP CC[C@@H]([NH2+]CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)C(C)(C)C ZINC000343631175 445271767 /nfs/dbraw/zinc/27/17/67/445271767.db2.gz NKWBFSYMTOYPHV-JKSUJKDBSA-N 2 0 327.513 1.874 20 0 EDADRP COC(=O)c1cc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cn1C ZINC000348115286 445275487 /nfs/dbraw/zinc/27/54/87/445275487.db2.gz LSGKFEXUBXAVKJ-UHFFFAOYSA-N 2 0 346.431 1.437 20 0 EDADRP CO[C@@H]1C[C@H](C[NH+]2CCCC2)N(C(=O)NCC2([NH+](C)C)CCC2)C1 ZINC000348122299 445280159 /nfs/dbraw/zinc/28/01/59/445280159.db2.gz DBPOTILIFYTJDD-HZPDHXFCSA-N 2 0 338.496 1.365 20 0 EDADRP CC[C@@H](C(=O)NCC1(O)CC[NH+](C)CC1)[N@H+](C)Cc1ccccc1 ZINC000354672220 445334546 /nfs/dbraw/zinc/33/45/46/445334546.db2.gz JWDBAMOSWZABCM-KRWDZBQOSA-N 2 0 333.476 1.470 20 0 EDADRP CC(C)[NH+]1CCC(O)(C[NH2+]C2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000348249631 445328185 /nfs/dbraw/zinc/32/81/85/445328185.db2.gz VAAUFEGPSYBVOV-UHFFFAOYSA-N 2 0 349.475 1.709 20 0 EDADRP CCN(CC(F)(F)F)C(=O)[C@H]1CCC[N@H+](CCOCC[NH3+])C1 ZINC000357072265 445408510 /nfs/dbraw/zinc/40/85/10/445408510.db2.gz KLRLGIHKNGQIBS-LBPRGKRZSA-N 2 0 325.375 1.085 20 0 EDADRP CC(C)C[N@@H+]1CC[C@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000362494369 445410859 /nfs/dbraw/zinc/41/08/59/445410859.db2.gz KFNOUFDQEOEGDW-WBVHZDCISA-N 2 0 342.553 1.701 20 0 EDADRP COCC[NH+]1CCC(NC(=O)CC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000348903202 445435946 /nfs/dbraw/zinc/43/59/46/445435946.db2.gz XBOLIIAWNCUHGA-UHFFFAOYSA-N 2 0 345.487 1.662 20 0 EDADRP COc1ccc([C@H](CNC(=O)CCOC2C[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000348954584 445453403 /nfs/dbraw/zinc/45/34/03/445453403.db2.gz FWSJZGAVMMBITK-SFHVURJKSA-N 2 0 347.459 1.327 20 0 EDADRP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cnn(C)c1)[NH+](C)C ZINC000362704501 445509483 /nfs/dbraw/zinc/50/94/83/445509483.db2.gz JPPIPASNCIDROF-UAGQMJEPSA-N 2 0 335.496 1.650 20 0 EDADRP COCC[N@H+](C)CC[C@@H](NC(=O)C[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000357221046 445490208 /nfs/dbraw/zinc/49/02/08/445490208.db2.gz BPFRCNNSWHJQLK-QZTJIDSGSA-N 2 0 349.475 1.191 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000359922973 445490298 /nfs/dbraw/zinc/49/02/98/445490298.db2.gz IYYKGSDWOOTYER-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H](N3CCNCC3=O)C2)c1C ZINC000362677272 445494092 /nfs/dbraw/zinc/49/40/92/445494092.db2.gz XPGDTAMURMPXFE-MRXNPFEDSA-N 2 0 333.480 1.306 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000357236525 445498709 /nfs/dbraw/zinc/49/87/09/445498709.db2.gz FLGDEGXEJVOXOV-DYVFJYSZSA-N 2 0 325.416 1.103 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000359948871 445501142 /nfs/dbraw/zinc/50/11/42/445501142.db2.gz IHIWUOAKBDBOIX-SJORKVTESA-N 2 0 325.497 1.770 20 0 EDADRP C[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)[C@@H]1CCCOC1 ZINC000357245759 445504843 /nfs/dbraw/zinc/50/48/43/445504843.db2.gz QUEFQMDXCGFYSW-DLBZAZTESA-N 2 0 342.528 1.717 20 0 EDADRP CC1(C)CCC[N@H+](CCNC(=O)[C@H]2COCCN2CC2CCC2)C1 ZINC000357371777 445555585 /nfs/dbraw/zinc/55/55/85/445555585.db2.gz VVDUFZIZXTXLSF-QGZVFWFLSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@@H]1CSC[C@@H]1NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000357756274 445580557 /nfs/dbraw/zinc/58/05/57/445580557.db2.gz KVMLIBCFNQEEGS-CABCVRRESA-N 2 0 330.542 1.653 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000360134296 445586944 /nfs/dbraw/zinc/58/69/44/445586944.db2.gz GCBQPPVUZKDUAF-MRXNPFEDSA-N 2 0 335.496 1.884 20 0 EDADRP CC[C@@H](C(=O)NCCN1CC[NH+](CC)CC1)[N@H+](C)Cc1ccccc1 ZINC000356067591 445599870 /nfs/dbraw/zinc/59/98/70/445599870.db2.gz ZLPGXHPVIUXHLQ-IBGZPJMESA-N 2 0 346.519 1.651 20 0 EDADRP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CCC(=O)NC2)CC1 ZINC000356068546 445600424 /nfs/dbraw/zinc/60/04/24/445600424.db2.gz PEUJWANWWXDMAL-ZDUSSCGKSA-N 2 0 336.867 1.460 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000353455502 445609380 /nfs/dbraw/zinc/60/93/80/445609380.db2.gz XSOAUHUAAZLHIH-XDNAFOTISA-N 2 0 336.524 1.392 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000353456411 445610060 /nfs/dbraw/zinc/61/00/60/445610060.db2.gz ZOSPBXNLLLCEPK-IRXDYDNUSA-N 2 0 345.491 1.228 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH2+][C@H]2CC)[C@@H](C)C1 ZINC000353458249 445611100 /nfs/dbraw/zinc/61/11/00/445611100.db2.gz IUIPLBINULIKGP-YVSFHVDLSA-N 2 0 325.497 1.628 20 0 EDADRP C[NH+]1CCC(CNC(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000356126043 445635218 /nfs/dbraw/zinc/63/52/18/445635218.db2.gz RQFPVHYHKSKOJL-SFHVURJKSA-N 2 0 330.476 1.902 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N(C)CC[N@H+](C)C1CCN(C)CC1 ZINC000356134640 445639459 /nfs/dbraw/zinc/63/94/59/445639459.db2.gz SLVCITXDMOJPFP-UHFFFAOYSA-N 2 0 341.544 1.386 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000363001441 445645388 /nfs/dbraw/zinc/64/53/88/445645388.db2.gz NNQFPVJDQRRVFG-YJBOKZPZSA-N 2 0 330.476 1.954 20 0 EDADRP C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)[C@H](c1ccccc1)[NH+](C)C ZINC000356233249 445689162 /nfs/dbraw/zinc/68/91/62/445689162.db2.gz PPKXMGCYPVLNKE-CGTJXYLNSA-N 2 0 330.476 1.184 20 0 EDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)[NH2+]C1CCC(O)CC1 ZINC000353645040 445691368 /nfs/dbraw/zinc/69/13/68/445691368.db2.gz AUXSZIINAUDRER-ABHNRTSZSA-N 2 0 333.476 1.169 20 0 EDADRP C[N@H+](CCCNC(=O)NC[C@@]1(O)CC[NH+](C)C1)C1CCCCC1 ZINC000358698556 445724818 /nfs/dbraw/zinc/72/48/18/445724818.db2.gz XHCZJOGMWYLHPH-KRWDZBQOSA-N 2 0 326.485 1.007 20 0 EDADRP CCN1CCO[C@H](C(=O)N(CC[NH+](C)C)Cc2cccc(F)c2)C1 ZINC000363261592 445744634 /nfs/dbraw/zinc/74/46/34/445744634.db2.gz MLXMKAZMYSXXAM-KRWDZBQOSA-N 2 0 337.439 1.437 20 0 EDADRP [NH3+]C[C@@H](C(=O)NCCC[NH2+]Cc1cccnc1)c1ccc(F)cc1 ZINC000358738569 445751446 /nfs/dbraw/zinc/75/14/46/445751446.db2.gz BKIWFRKFUOOIMU-QGZVFWFLSA-N 2 0 330.407 1.559 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)[C@@H]2CCC(C)(C)C2)C1 ZINC000361471453 445775517 /nfs/dbraw/zinc/77/55/17/445775517.db2.gz RCCCLWPWTGYMTJ-IAGOWNOFSA-N 2 0 339.524 1.970 20 0 EDADRP C[NH+]1CCN(C[C@H](O)C[NH2+]Cc2ccccc2OC2CCC2)CC1 ZINC000582117246 325777420 /nfs/dbraw/zinc/77/74/20/325777420.db2.gz JOQSWLQHCNQPHH-QGZVFWFLSA-N 2 0 333.476 1.316 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2)[NH+]1CCCC1 ZINC000364563449 445933356 /nfs/dbraw/zinc/93/33/56/445933356.db2.gz SSGOFRMXSOUFAQ-FUHIMQAGSA-N 2 0 343.471 1.948 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@]1(F)CC[NH2+]C1 ZINC000361710100 445891616 /nfs/dbraw/zinc/89/16/16/445891616.db2.gz CYJRCJJITSWFKP-IBGZPJMESA-N 2 0 348.466 1.407 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)NCCC[NH+]1CCCO[C@@H](C)C1 ZINC000359028389 445897088 /nfs/dbraw/zinc/89/70/88/445897088.db2.gz AXOGKDMEPFGPPS-HOTGVXAUSA-N 2 0 328.501 1.515 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000359060739 445918876 /nfs/dbraw/zinc/91/88/76/445918876.db2.gz URQZDSFXARDAHV-IAGOWNOFSA-N 2 0 342.528 1.907 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000364875587 445963787 /nfs/dbraw/zinc/96/37/87/445963787.db2.gz AHDXOSGYVOYUHW-RDJZCZTQSA-N 2 0 333.480 1.711 20 0 EDADRP COc1ncc(C[NH+]2CCC(C)(C[NH+]3CCOCC3)CC2)c(C)n1 ZINC000369194671 445982953 /nfs/dbraw/zinc/98/29/53/445982953.db2.gz QGGIFTNYBAMDCD-UHFFFAOYSA-N 2 0 334.464 1.728 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCC[NH+]2CCc3ccccc3C2)C1 ZINC000365987215 445945911 /nfs/dbraw/zinc/94/59/11/445945911.db2.gz IBSKIHFJFIZWCO-LJQANCHMSA-N 2 0 345.487 1.660 20 0 EDADRP CN(C(=O)NCC[N@H+](C)C1CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000369245626 446017655 /nfs/dbraw/zinc/01/76/55/446017655.db2.gz ZGINCONHSKIMAF-UHFFFAOYSA-N 2 0 338.496 1.365 20 0 EDADRP COc1ccccc1NC(=O)CN1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000583321784 326050348 /nfs/dbraw/zinc/05/03/48/326050348.db2.gz DYILJXIVOWGROR-UHFFFAOYSA-N 2 0 346.475 1.251 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000583370969 326059710 /nfs/dbraw/zinc/05/97/10/326059710.db2.gz LRXQBBJRSJCYOR-WJNMYVKJSA-N 2 0 328.460 1.414 20 0 EDADRP O[C@@H]1CCC[C@@H]1[NH+]1CCC(NCc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000583603400 326101777 /nfs/dbraw/zinc/10/17/77/326101777.db2.gz BEPSYQHNJPGEQT-QWHCGFSZSA-N 2 0 332.370 1.896 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000583748046 326132025 /nfs/dbraw/zinc/13/20/25/326132025.db2.gz OKEZNHCEYGPORS-MAUKXSAKSA-N 2 0 332.444 1.703 20 0 EDADRP CN1CCN(C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)[C@@H](C[NH3+])C1 ZINC000583860147 326153801 /nfs/dbraw/zinc/15/38/01/326153801.db2.gz PBKWLEKTQZPUGE-RDJZCZTQSA-N 2 0 331.464 1.342 20 0 EDADRP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC(=O)N2CC[NH2+]CC2)CC1 ZINC000584225995 326223678 /nfs/dbraw/zinc/22/36/78/326223678.db2.gz WCOBCGQSTKYVSA-KRWDZBQOSA-N 3 0 344.503 1.103 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000584229372 326224397 /nfs/dbraw/zinc/22/43/97/326224397.db2.gz UHIDNRFLZGTYQR-CEXWTWQISA-N 2 0 344.503 1.479 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000369345433 446088652 /nfs/dbraw/zinc/08/86/52/446088652.db2.gz LAUVRODFUSKEPF-LJQANCHMSA-N 2 0 344.503 1.600 20 0 EDADRP C[C@@H](CNC(=O)N1CC[N@@H+](C2CCOCC2)C[C@H]1C)[NH+](C)C1CC1 ZINC000373262524 446131786 /nfs/dbraw/zinc/13/17/86/446131786.db2.gz XRSOKASWBZFZBN-LSDHHAIUSA-N 2 0 338.496 1.364 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)C2CCS(=O)(=O)CC2)CC1 ZINC000354350694 446133739 /nfs/dbraw/zinc/13/37/39/446133739.db2.gz HACWOCSJGLWABA-JKSUJKDBSA-N 2 0 345.553 1.063 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000359262864 446098708 /nfs/dbraw/zinc/09/87/08/446098708.db2.gz HFLVYRNJOFBINM-HOTGVXAUSA-N 2 0 340.512 1.214 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000369654232 446140489 /nfs/dbraw/zinc/14/04/89/446140489.db2.gz KRBVPULYFIJLGX-GOEBONIOSA-N 2 0 348.495 2.096 20 0 EDADRP O=C(Nc1ccc(N2CC[NH2+]CC2)cn1)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000366407060 446197775 /nfs/dbraw/zinc/19/77/75/446197775.db2.gz DDKCXCZVUCNGHM-LSDHHAIUSA-N 2 0 329.448 1.304 20 0 EDADRP C[C@@H](CNC(=O)N1CC[NH+]2CCC1CC2)[N@@H+]1CCc2ccccc2C1 ZINC000370259131 446199834 /nfs/dbraw/zinc/19/98/34/446199834.db2.gz BMDQFBGAQYXXNC-INIZCTEOSA-N 2 0 342.487 1.923 20 0 EDADRP Cc1cc(N2CCN(CC[C@@H]3CCCC[N@H+]3C)CC2)n2ncnc2n1 ZINC000351614044 446207665 /nfs/dbraw/zinc/20/76/65/446207665.db2.gz CXYOQMIPWPDIMS-INIZCTEOSA-N 2 0 343.479 1.429 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)N[C@H]2CC[NH+](C3CCN(C)CC3)C2)C[N@@H+]1C1CC1 ZINC000370280301 446212211 /nfs/dbraw/zinc/21/22/11/446212211.db2.gz FMRLYJSKMTTYEQ-PMPSAXMXSA-N 2 0 349.523 1.079 20 0 EDADRP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N1C[C@@H](C)O[C@H](C)C1 ZINC000351623074 446217456 /nfs/dbraw/zinc/21/74/56/446217456.db2.gz GJOURYBVBKHDPS-ZKXLYKBJSA-N 2 0 337.508 1.863 20 0 EDADRP COC1(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)CCOCC1 ZINC000365479694 446226512 /nfs/dbraw/zinc/22/65/12/446226512.db2.gz VZPBJTSKZRODRN-UHFFFAOYSA-N 2 0 339.524 1.532 20 0 EDADRP CN(c1ccccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000359463220 446237683 /nfs/dbraw/zinc/23/76/83/446237683.db2.gz ZAEHIWJBYADHQA-QZTJIDSGSA-N 2 0 328.504 1.868 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)cc2)[nH]1 ZINC000365558993 446253875 /nfs/dbraw/zinc/25/38/75/446253875.db2.gz UQEOVJJYIRRLEJ-HIFRSBDPSA-N 2 0 340.431 1.743 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)CC1 ZINC000362238510 446280107 /nfs/dbraw/zinc/28/01/07/446280107.db2.gz QUTHGTIROIDOES-RLLQIKCJSA-N 2 0 329.488 1.745 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000417370167 446350850 /nfs/dbraw/zinc/35/08/50/446350850.db2.gz TVXJEXDHLDFXLJ-HOCLYGCPSA-N 2 0 334.464 1.567 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2C[NH2+]CCO2)[NH+]2CCCC2)o1 ZINC000417413998 446351071 /nfs/dbraw/zinc/35/10/71/446351071.db2.gz CHKVPKMCEAFVEU-HUUCEWRRSA-N 2 0 336.436 1.013 20 0 EDADRP C[NH+]1CCN(c2ccc(NC(=O)[C@@H]3C[C@@H]4CCCC[N@@H+]4C3)cn2)CC1 ZINC000365816815 446354016 /nfs/dbraw/zinc/35/40/16/446354016.db2.gz NCIHKOBPPYNSLC-WBVHZDCISA-N 2 0 343.475 1.646 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)NC[C@H]([NH3+])C3CC3)CCCC2)CC1 ZINC000417548586 446363807 /nfs/dbraw/zinc/36/38/07/446363807.db2.gz QYTPNVPWPNINRT-INIZCTEOSA-N 2 0 338.496 1.447 20 0 EDADRP CN(CC[NH3+])C(=O)NCC1([N@@H+]2CCOC(C)(C)C2)CCCCC1 ZINC000417585423 446365655 /nfs/dbraw/zinc/36/56/55/446365655.db2.gz PUEZWKZFCXTPJE-UHFFFAOYSA-N 2 0 326.485 1.400 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3nn(C)cc32)CC[NH2+]CC1 ZINC000423117162 446429284 /nfs/dbraw/zinc/42/92/84/446429284.db2.gz UCHOTDXBVNUKRG-ZFWWWQNUSA-N 2 0 334.464 1.709 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)NC[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000370788033 446442634 /nfs/dbraw/zinc/44/26/34/446442634.db2.gz POVWBCQZXXUNAL-DLBZAZTESA-N 2 0 348.516 1.505 20 0 EDADRP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)c1 ZINC000420283385 446450351 /nfs/dbraw/zinc/45/03/51/446450351.db2.gz CCJRFSHAFHHMPH-CVEARBPZSA-N 2 0 346.475 1.417 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)N[C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000370736486 446409392 /nfs/dbraw/zinc/40/93/92/446409392.db2.gz DGSWCEBQQNGBLN-IRXDYDNUSA-N 2 0 344.459 1.430 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)NC[C@@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417999900 446411209 /nfs/dbraw/zinc/41/12/09/446411209.db2.gz WSJQODXUMMJQOY-DOPJRALCSA-N 2 0 346.475 1.867 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418009183 446414585 /nfs/dbraw/zinc/41/45/85/446414585.db2.gz HVSHWWFTDDHKKI-SPUZQDLCSA-N 2 0 330.476 1.934 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000418017358 446416420 /nfs/dbraw/zinc/41/64/20/446416420.db2.gz YDFUECNQKFJCJO-BPQIPLTHSA-N 2 0 330.476 1.900 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000418017736 446417633 /nfs/dbraw/zinc/41/76/33/446417633.db2.gz TVYSPNDWFFMMDI-NVXWUHKLSA-N 2 0 334.464 1.042 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418017819 446417641 /nfs/dbraw/zinc/41/76/41/446417641.db2.gz UDTSIONBESNKNB-RANZSIQMSA-N 2 0 328.460 1.510 20 0 EDADRP CCS(=O)(=O)Nc1ccc([C@H](C)[NH2+]CCN2CC[NH2+]CC2)cc1 ZINC000423202138 446452028 /nfs/dbraw/zinc/45/20/28/446452028.db2.gz KDKPPIZBVNVZLO-AWEZNQCLSA-N 2 0 340.493 1.004 20 0 EDADRP CCc1ccc([C@@H](CNC(=O)[C@]2(COC)CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423307442 446481352 /nfs/dbraw/zinc/48/13/52/446481352.db2.gz NEHSGTAUCMMPJK-IEBWSBKVSA-N 2 0 333.476 1.594 20 0 EDADRP O=C(NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)N1CC[NH2+]CC1 ZINC000418229870 446466299 /nfs/dbraw/zinc/46/62/99/446466299.db2.gz DJTJWAPZPYEEPZ-SFHVURJKSA-N 2 0 330.476 1.904 20 0 EDADRP COCC[N@H+](CCOc1ccc(F)cc1)CCN1CC[NH2+]CC1 ZINC000420304446 446468538 /nfs/dbraw/zinc/46/85/38/446468538.db2.gz OMEPXSDDISUPME-UHFFFAOYSA-N 2 0 325.428 1.058 20 0 EDADRP Cc1ccc(OCC(=O)N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420308581 446471488 /nfs/dbraw/zinc/47/14/88/446471488.db2.gz SJNBRDRMGNUWTL-KRWDZBQOSA-N 2 0 331.460 1.518 20 0 EDADRP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000420309679 446474185 /nfs/dbraw/zinc/47/41/85/446474185.db2.gz FALDSEMPWLKSEI-RTBURBONSA-N 2 0 347.503 1.924 20 0 EDADRP [NH3+]CCCC[NH2+][C@@H]1CCS(=O)(=O)c2ccc(Br)cc21 ZINC000423315038 446484613 /nfs/dbraw/zinc/48/46/13/446484613.db2.gz AGPBMFBJMQAORD-GFCCVEGCSA-N 2 0 347.278 1.996 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420327348 446495892 /nfs/dbraw/zinc/49/58/92/446495892.db2.gz YLTLFNBXLXBAMV-INIZCTEOSA-N 3 0 338.540 1.402 20 0 EDADRP CC[NH+](CC)CCOC1CCN(C(=O)NC[C@H]2CCC[NH2+]C2)CC1 ZINC000418336062 446505166 /nfs/dbraw/zinc/50/51/66/446505166.db2.gz HXNHSUAJMWZGSC-INIZCTEOSA-N 2 0 340.512 1.518 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000423377369 446508959 /nfs/dbraw/zinc/50/89/59/446508959.db2.gz BOGBBYRHFQMLMU-BARDWOONSA-N 3 0 334.430 1.285 20 0 EDADRP Cc1cccc(CNC(=O)C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)c1 ZINC000420340222 446512026 /nfs/dbraw/zinc/51/20/26/446512026.db2.gz SYAAFUSZRJENDL-MJGOQNOKSA-N 2 0 331.460 1.439 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCCC2)CC[N@@H+]1C[C@@H](C)O ZINC000418356018 446512606 /nfs/dbraw/zinc/51/26/06/446512606.db2.gz GGAOAKANBGROSK-DJIMGWMZSA-N 2 0 340.512 1.381 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418358685 446512925 /nfs/dbraw/zinc/51/29/25/446512925.db2.gz DRPSZADFVVHDLF-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP CCC[C@@H]1CN(C(=O)N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418359251 446513882 /nfs/dbraw/zinc/51/38/82/446513882.db2.gz ZTOGACNQGOTIQP-GVDBMIGSSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H](C)[NH3+] ZINC000423354781 446497980 /nfs/dbraw/zinc/49/79/80/446497980.db2.gz GXLLJYPNWAYNJI-KYHPRHEASA-N 2 0 339.524 1.954 20 0 EDADRP COc1ccccc1[C@@H](C)NC(=O)C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420329048 446498111 /nfs/dbraw/zinc/49/81/11/446498111.db2.gz FZDXQGDBBNNPJP-OAGGEKHMSA-N 2 0 331.460 1.804 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)NCC[C@H]2CC[NH2+]C2)C[C@H]1CC ZINC000418329567 446499841 /nfs/dbraw/zinc/49/98/41/446499841.db2.gz BIVZWCWGDPTBQK-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000423361854 446499971 /nfs/dbraw/zinc/49/99/71/446499971.db2.gz SGIUOKRJUHWLSU-KRWDZBQOSA-N 2 0 347.459 1.569 20 0 EDADRP CCC[NH2+]CCNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000418482182 446559124 /nfs/dbraw/zinc/55/91/24/446559124.db2.gz VHHBUCLYCGPSLA-UHFFFAOYSA-N 2 0 347.507 1.730 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(Cc1ccncc1)C(=O)NC[C@@H](C)C[NH3+] ZINC000418492173 446563285 /nfs/dbraw/zinc/56/32/85/446563285.db2.gz PECUETOKIGNVPL-DOTOQJQBSA-N 2 0 333.480 1.672 20 0 EDADRP C[C@@H](C[C@@H]1COCCN1)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423533138 446564201 /nfs/dbraw/zinc/56/42/01/446564201.db2.gz WVPGILSGLNDWHZ-PKOBYXMFSA-N 2 0 346.519 1.337 20 0 EDADRP Cc1ccc2nc(C[N@@H+]3CC4(CC[NH2+]CC4)[C@@H]4COC[C@@H]43)cn2c1 ZINC000420390339 446565610 /nfs/dbraw/zinc/56/56/10/446565610.db2.gz QEMSDUYLEASZRU-SJORKVTESA-N 2 0 326.444 1.843 20 0 EDADRP COCC[NH2+]CCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418499433 446566055 /nfs/dbraw/zinc/56/60/55/446566055.db2.gz OCEYGSMJIXDYTJ-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)c2cn(C)nc2[C@H]2CCC[NH2+]C2)CC1 ZINC000423398551 446516958 /nfs/dbraw/zinc/51/69/58/446516958.db2.gz CZJRYNHENXIMOF-INIZCTEOSA-N 2 0 347.507 1.739 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000423404855 446520138 /nfs/dbraw/zinc/52/01/38/446520138.db2.gz ZJNFOCCFIQQEET-UXLLHSPISA-N 2 0 333.480 1.800 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2ccc(Br)cc21 ZINC000423406330 446521982 /nfs/dbraw/zinc/52/19/82/446521982.db2.gz KNDLHJBALREJRE-TUKIKUTGSA-N 2 0 325.250 1.996 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418382575 446523274 /nfs/dbraw/zinc/52/32/74/446523274.db2.gz MJNJONSQVNFTEG-HOTGVXAUSA-N 3 0 327.517 1.027 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000418392341 446525893 /nfs/dbraw/zinc/52/58/93/446525893.db2.gz PYIMQRBQWLPHER-WMZOPIPTSA-N 2 0 347.507 1.933 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000423420402 446526370 /nfs/dbraw/zinc/52/63/70/446526370.db2.gz WVZDOFQDLMLJHG-MRXNPFEDSA-N 2 0 340.512 1.025 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)N(C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418394302 446526405 /nfs/dbraw/zinc/52/64/05/446526405.db2.gz ZEEOZIFSBSXFNC-IEBWSBKVSA-N 2 0 348.491 1.248 20 0 EDADRP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000420350117 446528644 /nfs/dbraw/zinc/52/86/44/446528644.db2.gz RJLDOHQYKVINSV-VQIMIIECSA-N 2 0 344.503 1.406 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000433135848 446535218 /nfs/dbraw/zinc/53/52/18/446535218.db2.gz KATACWFXMTWXAB-SFHVURJKSA-N 3 0 336.524 1.570 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C[NH3+])CC(C)C)C[C@@H]1CC ZINC000418416100 446536090 /nfs/dbraw/zinc/53/60/90/446536090.db2.gz PFTBXWJLAXNCTD-HOTGVXAUSA-N 2 0 328.501 1.502 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000418417497 446537331 /nfs/dbraw/zinc/53/73/31/446537331.db2.gz WQDPDIDWDNVUMQ-ULQDDVLXSA-N 2 0 334.464 1.423 20 0 EDADRP C[N@@H+]1CCN(C(=O)CCC[NH+]2CCC([NH3+])CC2)C2(CCCCC2)C1 ZINC000433152257 446539142 /nfs/dbraw/zinc/53/91/42/446539142.db2.gz QVBSOHBYVYFBSD-UHFFFAOYSA-N 3 0 336.524 1.667 20 0 EDADRP CC[NH+]1CCN(c2ccc(CNC(=O)[C@@H](C[NH3+])C(C)C)cn2)CC1 ZINC000433163577 446540599 /nfs/dbraw/zinc/54/05/99/446540599.db2.gz YJDHYKTZXXMNAF-INIZCTEOSA-N 2 0 333.480 1.071 20 0 EDADRP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCOCC[NH3+] ZINC000420368682 446546273 /nfs/dbraw/zinc/54/62/73/446546273.db2.gz IDEMEIHOCKYGES-LPHOPBHVSA-N 2 0 334.508 1.898 20 0 EDADRP C[C@@H](Cc1cnccn1)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000453198625 446550741 /nfs/dbraw/zinc/55/07/41/446550741.db2.gz QCSFBKUYMPVZLJ-KXBFYZLASA-N 2 0 326.444 1.764 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376632369 446617718 /nfs/dbraw/zinc/61/77/18/446617718.db2.gz MCJILUOEWDVIMQ-HZPDHXFCSA-N 2 0 326.485 1.223 20 0 EDADRP CCCCNC(=O)CC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000433446496 446573230 /nfs/dbraw/zinc/57/32/30/446573230.db2.gz GXXLSHMJTMMHDZ-UHFFFAOYSA-N 2 0 338.540 1.783 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC[C@H]4C[NH2+]CCO4)[C@@H]3C2)cc1 ZINC000423575885 446583585 /nfs/dbraw/zinc/58/35/85/446583585.db2.gz QNIWHGOKPWBAHU-NMLBUPMWSA-N 3 0 329.488 1.865 20 0 EDADRP CC[C@@H]1CN(C(=O)NC[C@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418537477 446584739 /nfs/dbraw/zinc/58/47/39/446584739.db2.gz JUNVFLKPFPJGOX-NVXWUHKLSA-N 2 0 326.485 1.128 20 0 EDADRP C[C@H]1CCN(CCOc2ccc(S(C)(=O)=O)cc2)C[C@@H]1C[NH3+] ZINC000420414073 446587505 /nfs/dbraw/zinc/58/75/05/446587505.db2.gz UHJKFRPLGJMNHJ-KBPBESRZSA-N 2 0 326.462 1.386 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000418548270 446590012 /nfs/dbraw/zinc/59/00/12/446590012.db2.gz ZEMTULRAJDOBFZ-ZACQAIPSSA-N 3 0 339.528 1.184 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418577581 446602187 /nfs/dbraw/zinc/60/21/87/446602187.db2.gz ILBNPSMCPVDFFM-CVEARBPZSA-N 3 0 327.517 1.171 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC[N@@H+]1CCOC ZINC000418720760 446655153 /nfs/dbraw/zinc/65/51/53/446655153.db2.gz LWQSNKDQXISREW-IXDOHACOSA-N 2 0 340.512 1.646 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)N(C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000418727543 446656567 /nfs/dbraw/zinc/65/65/67/446656567.db2.gz MJODCJVMUGJYMD-WMZOPIPTSA-N 2 0 334.464 1.002 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000423748813 446677813 /nfs/dbraw/zinc/67/78/13/446677813.db2.gz QUPINTKZKBRARG-KFWWJZLASA-N 2 0 327.469 1.236 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000376644091 446624518 /nfs/dbraw/zinc/62/45/18/446624518.db2.gz ZLXFULBILNZMGD-KRWDZBQOSA-N 2 0 330.476 1.649 20 0 EDADRP C[NH+](C)CCN(Cc1cccs1)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418772872 446691545 /nfs/dbraw/zinc/69/15/45/446691545.db2.gz UTYWGUKEPAEECS-ZDUSSCGKSA-N 2 0 346.447 1.819 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)COC1CCC([NH3+])CC1 ZINC000423767226 446695048 /nfs/dbraw/zinc/69/50/48/446695048.db2.gz ABCJWHSWKOJRFI-GWFLUQINSA-N 2 0 345.487 1.910 20 0 EDADRP COc1cccc([C@H]2[C@@H](NC(=O)[C@@H]3CC[NH2+]C3)CC[N@@H+]2C2CC2)c1 ZINC000423833577 446721503 /nfs/dbraw/zinc/72/15/03/446721503.db2.gz TUKBGAPTNLEGIU-JLSDUUJJSA-N 2 0 329.444 1.699 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C(=O)NC(N)=O ZINC000368234232 446728409 /nfs/dbraw/zinc/72/84/09/446728409.db2.gz JVCWHEQOOMVGNS-QSPRXWTASA-N 2 0 344.459 1.460 20 0 EDADRP COCC[NH2+]CC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000371271771 446730212 /nfs/dbraw/zinc/73/02/12/446730212.db2.gz VPNYPJPQLXBSFU-OALUTQOASA-N 2 0 345.487 1.878 20 0 EDADRP COCC[NH2+]CC(=O)N[C@H](C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000423888098 446745607 /nfs/dbraw/zinc/74/56/07/446745607.db2.gz HEJJQDPISBHQCL-QGZVFWFLSA-N 2 0 335.448 1.184 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)C[C@@H]2COCC[NH2+]2)C[N@@H+]1Cc1ccccc1 ZINC000423890147 446746863 /nfs/dbraw/zinc/74/68/63/446746863.db2.gz ABAMGOOZZDBSFB-BHIYHBOVSA-N 2 0 345.487 1.782 20 0 EDADRP CC[N@H+](CCO)CCNCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000376880085 446774496 /nfs/dbraw/zinc/77/44/96/446774496.db2.gz MMTUEFLVIKGMNJ-UHFFFAOYSA-N 2 0 326.510 1.313 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000418894336 446779166 /nfs/dbraw/zinc/77/91/66/446779166.db2.gz BAFDQFZNMGKGLT-HNNXBMFYSA-N 2 0 340.512 1.247 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000423930150 446782099 /nfs/dbraw/zinc/78/20/99/446782099.db2.gz JZQIYLWVIINCQG-QBYUYEEZSA-N 2 0 333.480 1.307 20 0 EDADRP CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C[NH3+])C1CC1 ZINC000423951793 446795197 /nfs/dbraw/zinc/79/51/97/446795197.db2.gz PBNDKMDTDJZJJS-IBGZPJMESA-N 2 0 344.503 1.785 20 0 EDADRP [NH3+]C1(CNC(=O)C[C@@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000424040708 446830359 /nfs/dbraw/zinc/83/03/59/446830359.db2.gz RHHKDANVHITMFL-KRWDZBQOSA-N 3 0 330.476 1.238 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000418928839 446805285 /nfs/dbraw/zinc/80/52/85/446805285.db2.gz YDDPSWRHUMZYML-RDTXWAMCSA-N 2 0 340.512 1.247 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C[C@@]1(C)C[NH3+] ZINC000423982165 446805536 /nfs/dbraw/zinc/80/55/36/446805536.db2.gz IDYCZUDCJAAZBY-OXQOHEQNSA-N 2 0 344.503 1.491 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CC[NH2+]1 ZINC000418929788 446806174 /nfs/dbraw/zinc/80/61/74/446806174.db2.gz AHGKUYGAYLWPQR-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)C(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000418995745 446854674 /nfs/dbraw/zinc/85/46/74/446854674.db2.gz MPTOVNKVUAMZCL-UHFFFAOYSA-N 2 0 346.475 1.142 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NCCC[NH+]2CCCCCC2)c1 ZINC000424439930 446871276 /nfs/dbraw/zinc/87/12/76/446871276.db2.gz PERQLJDMFDSUKU-UHFFFAOYSA-N 2 0 346.475 1.775 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424457981 446875961 /nfs/dbraw/zinc/87/59/61/446875961.db2.gz SFYKDHXAVNWLAZ-KRWDZBQOSA-N 2 0 346.475 1.773 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000424458642 446876523 /nfs/dbraw/zinc/87/65/23/446876523.db2.gz UOILXCLOYZFUFJ-ZFWWWQNUSA-N 2 0 346.475 1.629 20 0 EDADRP C[C@H]1C[C@H](N(C)C(=O)NCCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1C ZINC000442610687 446915440 /nfs/dbraw/zinc/91/54/40/446915440.db2.gz PWJFECPNSILNND-JKSUJKDBSA-N 2 0 339.528 1.137 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000419100469 446924528 /nfs/dbraw/zinc/92/45/28/446924528.db2.gz BUXUKROWORKHMY-HYVNUMGLSA-N 2 0 346.475 1.009 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)N[C@H](C)C[N@H+](C)Cc1ccccc1 ZINC000419105932 446926614 /nfs/dbraw/zinc/92/66/14/446926614.db2.gz IZQUJNVGPRBKGD-OAHLLOKOSA-N 2 0 348.491 1.257 20 0 EDADRP CCCC[C@H](C[NH3+])NC(=O)C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000419229104 447019951 /nfs/dbraw/zinc/01/99/51/447019951.db2.gz NPPXFGZKMBONNE-HZPDHXFCSA-N 2 0 338.496 1.001 20 0 EDADRP Cc1cc(NC(=O)C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000372017957 446982185 /nfs/dbraw/zinc/98/21/85/446982185.db2.gz ACOAYUFKRHRLRE-INIZCTEOSA-N 2 0 334.464 2.508 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](CCc3cnn(CC)c3)CC2)CC1 ZINC000375698600 446985327 /nfs/dbraw/zinc/98/53/27/446985327.db2.gz RUGYRRCUKNIYMT-UHFFFAOYSA-N 2 0 333.524 1.938 20 0 EDADRP CN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C[C@H]1CCC[N@@H+]1C ZINC000421012561 446986319 /nfs/dbraw/zinc/98/63/19/446986319.db2.gz UCYONSCULCYPEY-QZTJIDSGSA-N 2 0 332.492 1.432 20 0 EDADRP C[N@@H+]1CC[C@]2(CC[NH+](CCOCCNC(=O)OC(C)(C)C)C2)C1 ZINC000368630321 446991650 /nfs/dbraw/zinc/99/16/50/446991650.db2.gz DLYJMAZHAVSQMO-KRWDZBQOSA-N 2 0 327.469 1.555 20 0 EDADRP COCCOc1cccc(CNC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443060883 447002332 /nfs/dbraw/zinc/00/23/32/447002332.db2.gz PXZKUBRKEDTPOV-MRXNPFEDSA-N 2 0 349.475 1.389 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+]([C@H](C)C(=O)N3CCCCC3)C2)CC1 ZINC000375889929 447125055 /nfs/dbraw/zinc/12/50/55/447125055.db2.gz LUMFEBIDGKAYOH-QZTJIDSGSA-N 2 0 336.524 1.488 20 0 EDADRP C[N@H+](C[C@@H](O)COc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000375829259 447085853 /nfs/dbraw/zinc/08/58/53/447085853.db2.gz FSRUGZJDPYIOFK-RBUKOAKNSA-N 2 0 347.503 1.527 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3[C@@H]4CC[C@H]3C[C@H]([NH3+])C4)cc2)CC1 ZINC000372499776 447091605 /nfs/dbraw/zinc/09/16/05/447091605.db2.gz ALOHOSRJHUFHPP-LUPIEILUSA-N 2 0 342.487 1.923 20 0 EDADRP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1N(C)CCC[N@H+](C)CCN(C)C ZINC000377443091 447135793 /nfs/dbraw/zinc/13/57/93/447135793.db2.gz QLQRDOHWRSUFPK-MSOLQXFVSA-N 2 0 325.545 1.275 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)C(=O)N[C@@H](C)CC[NH3+])c1ccsc1 ZINC000419378521 447138735 /nfs/dbraw/zinc/13/87/35/447138735.db2.gz VSSVEZZNOHPMBH-GXTWGEPZSA-N 2 0 340.493 1.101 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2C[N@@H+](C(C)C)C[C@H]2C)CC1 ZINC000425473156 447179536 /nfs/dbraw/zinc/17/95/36/447179536.db2.gz XEVJUPYFRTWVED-HZPDHXFCSA-N 2 0 340.512 1.467 20 0 EDADRP CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2C[C@H](C)[NH+](CCO)C[C@H]2C)C1 ZINC000419458034 447192957 /nfs/dbraw/zinc/19/29/57/447192957.db2.gz YHUYRDQNERTWOK-GVDBMIGSSA-N 2 0 340.512 1.203 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCC(C[NH+]3CCOCC3)CC2)CCC1 ZINC000445876747 447200731 /nfs/dbraw/zinc/20/07/31/447200731.db2.gz ZFQNMRURFXWOOE-UHFFFAOYSA-N 2 0 338.496 1.225 20 0 EDADRP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000419476363 447208182 /nfs/dbraw/zinc/20/81/82/447208182.db2.gz JKMCPTWKEPGXKY-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP O=C(NCCc1cn2c(n1)CCCC2)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000376072759 447250675 /nfs/dbraw/zinc/25/06/75/447250675.db2.gz XCLUDGDYFOMXIX-OAHLLOKOSA-N 2 0 342.447 1.313 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000419486435 447216006 /nfs/dbraw/zinc/21/60/06/447216006.db2.gz XRRCZCFHPHTCDY-OWCLPIDISA-N 2 0 338.496 1.014 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)CC[NH2+]1 ZINC000419486636 447216697 /nfs/dbraw/zinc/21/66/97/447216697.db2.gz XRRCZCFHPHTCDY-PMPSAXMXSA-N 2 0 338.496 1.014 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000369047054 447286331 /nfs/dbraw/zinc/28/63/31/447286331.db2.gz KRUBLUYIJKECLL-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP [NH3+]C[C@@H]1CCCN1C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000415470115 447461976 /nfs/dbraw/zinc/46/19/76/447461976.db2.gz NKJWKTGTEHQTKV-KRWDZBQOSA-N 2 0 344.459 1.561 20 0 EDADRP CC(C)([NH3+])CNC(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415469460 447461163 /nfs/dbraw/zinc/46/11/63/447461163.db2.gz LTMRATZIKSKPBP-UHFFFAOYSA-N 2 0 332.448 1.117 20 0 EDADRP CN(C(=O)COC1(C)C[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388586517 447480137 /nfs/dbraw/zinc/48/01/37/447480137.db2.gz HAWLMZQZZJWPLK-KRWDZBQOSA-N 2 0 331.460 1.488 20 0 EDADRP CC(C)[N@@H+](C)C[C@H](C)NC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000426775837 447501217 /nfs/dbraw/zinc/50/12/17/447501217.db2.gz CYZATXHOEKWVQN-HNNXBMFYSA-N 2 0 333.480 1.292 20 0 EDADRP C[C@@]1(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CCC[NH2+]C1 ZINC000390940329 447506842 /nfs/dbraw/zinc/50/68/42/447506842.db2.gz QFTFPAGUOUXYCK-UYAOXDASSA-N 2 0 345.487 1.783 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000419966316 447518335 /nfs/dbraw/zinc/51/83/35/447518335.db2.gz YHIQPRUESWCBDP-MRXNPFEDSA-N 2 0 340.512 1.056 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)NC[C@H]1CCCC[N@@H+]1CCO)c1ccccc1 ZINC000457427921 447579294 /nfs/dbraw/zinc/57/92/94/447579294.db2.gz WDXKJMVINOAVOU-MSOLQXFVSA-N 2 0 348.491 1.435 20 0 EDADRP CC(C)[NH+](CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1)C(C)C ZINC000457432271 447580464 /nfs/dbraw/zinc/58/04/64/447580464.db2.gz ZZARMGLSTLVAKK-IYBDPMFKSA-N 2 0 328.501 1.202 20 0 EDADRP C[C@H](CC[NH+]1CCN(C)CC1)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416210142 447539182 /nfs/dbraw/zinc/53/91/82/447539182.db2.gz OMVKUHRKLPCYDT-IEBWSBKVSA-N 2 0 346.519 1.822 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000427264798 447571888 /nfs/dbraw/zinc/57/18/88/447571888.db2.gz IZMHUVXNOFWEMB-JKSUJKDBSA-N 2 0 344.459 1.322 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN1CCO[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]21 ZINC000404200371 447596983 /nfs/dbraw/zinc/59/69/83/447596983.db2.gz JVMIRLWCLNSLFL-UFYCRDLUSA-N 2 0 347.503 1.274 20 0 EDADRP CC1CC[NH+](C[C@H](O)CNC(=O)NCCCC[N@H+](C)C2CC2)CC1 ZINC000459173742 447604969 /nfs/dbraw/zinc/60/49/69/447604969.db2.gz ZPIFDRQECUHJRY-QGZVFWFLSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC[C@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000416813388 447691512 /nfs/dbraw/zinc/69/15/12/447691512.db2.gz FDSITOTZZLIKHK-MAUKXSAKSA-N 2 0 348.491 1.987 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NCC[C@@H](C)[NH3+])[NH+](C)C)cc1OC ZINC000416836446 447694777 /nfs/dbraw/zinc/69/47/77/447694777.db2.gz ZQMWHJSRAIPLAW-TZMCWYRMSA-N 2 0 338.452 1.343 20 0 EDADRP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C(=O)NCc1cc(C)nc(C)c1 ZINC000422585419 447655890 /nfs/dbraw/zinc/65/58/90/447655890.db2.gz CNPPGKQQBKSLIE-IAGOWNOFSA-N 2 0 344.459 1.400 20 0 EDADRP COC(=O)[C@@](C)(O)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459480310 447682521 /nfs/dbraw/zinc/68/25/21/447682521.db2.gz LMDQQROTZQUMNS-SFHVURJKSA-N 2 0 329.400 1.281 20 0 EDADRP C[C@H]1C[NH+](CCCNC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)C[C@H](C)O1 ZINC000416936568 447715764 /nfs/dbraw/zinc/71/57/64/447715764.db2.gz BYGHQQCQDXQKOM-UIJGJVKASA-N 2 0 338.496 1.410 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]([NH3+])c2ccccc2)C[C@H](C)O1 ZINC000416943643 447720282 /nfs/dbraw/zinc/72/02/82/447720282.db2.gz MACCFXXXSWNIHM-HLLBOEOZSA-N 2 0 334.464 1.485 20 0 EDADRP CCN(CC)S(=O)(=O)c1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])s1 ZINC000422714141 447725037 /nfs/dbraw/zinc/72/50/37/447725037.db2.gz KRFTXADGVFFLGV-UONOGXRCSA-N 2 0 345.534 1.791 20 0 EDADRP CC[C@@H](C)[NH+]1CCN(C(=O)NCCN2CCOC(C)(C)C2)CC1 ZINC000458177075 447737019 /nfs/dbraw/zinc/73/70/19/447737019.db2.gz MQKPYJLUHWUNNH-OAHLLOKOSA-N 2 0 326.485 1.223 20 0 EDADRP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000422839969 447765565 /nfs/dbraw/zinc/76/55/65/447765565.db2.gz RPZSBIWTTOMIOL-IAGOWNOFSA-N 3 0 338.540 1.720 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]CCCNc2ccccn2)CC[NH2+]CC1 ZINC000422831158 447762774 /nfs/dbraw/zinc/76/27/74/447762774.db2.gz JFTABPOALFRRFE-HNNXBMFYSA-N 2 0 334.464 1.795 20 0 EDADRP CN(CCC1CC[NH+](C2CCN(C)CC2)CC1)C(=O)C(C)(C)C[NH3+] ZINC000431023351 447789773 /nfs/dbraw/zinc/78/97/73/447789773.db2.gz LGUHMMYGPYVMLW-UHFFFAOYSA-N 2 0 338.540 1.626 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](NC(=O)N(C)C)C2)CC1 ZINC000452004916 447801037 /nfs/dbraw/zinc/80/10/37/447801037.db2.gz BXYSVCVVPHMAGC-QGZVFWFLSA-N 2 0 339.528 1.138 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]Cc2cccn(CC)c2=O)CC[NH2+]CC1 ZINC000423083826 447801545 /nfs/dbraw/zinc/80/15/45/447801545.db2.gz HCXFQCWJZCIULO-CQSZACIVSA-N 2 0 335.448 1.279 20 0 EDADRP C[C@@H]([NH2+]C[C@@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000423084456 447801730 /nfs/dbraw/zinc/80/17/30/447801730.db2.gz IABZBANMVXYUQI-GDBMZVCRSA-N 2 0 349.450 1.041 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@H](C)[C@H]3CC[NH2+]C3)C2=O)c(OC)c1 ZINC000423100914 447805297 /nfs/dbraw/zinc/80/52/97/447805297.db2.gz CEYYYGBRKRBROC-KEYYUXOJSA-N 2 0 347.459 1.392 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)COC1CC[NH2+]CC1 ZINC000569719775 447877236 /nfs/dbraw/zinc/87/72/36/447877236.db2.gz KMLHPDSJZWTPSU-UHFFFAOYSA-N 2 0 346.475 1.454 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530573871 447918081 /nfs/dbraw/zinc/91/80/81/447918081.db2.gz XVHNBGJVRUSTBL-YLJYHZDGSA-N 2 0 345.487 1.472 20 0 EDADRP CC[C@H]([NH3+])C[NH2+][C@H](C)[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000497179152 447927493 /nfs/dbraw/zinc/92/74/93/447927493.db2.gz PEELLHUHQIQKEC-HYVNUMGLSA-N 2 0 335.448 1.739 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1)c1cccs1 ZINC000575919212 447928081 /nfs/dbraw/zinc/92/80/81/447928081.db2.gz YXUAWZAUISQZPE-OCCSQVGLSA-N 2 0 348.476 1.124 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000570051402 447938544 /nfs/dbraw/zinc/93/85/44/447938544.db2.gz SBCBLXUZWJECFG-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)C(=O)N1CCOCC1 ZINC000576146489 447983385 /nfs/dbraw/zinc/98/33/85/447983385.db2.gz FDUIJJFSDYJDMX-IKGGRYGDSA-N 2 0 325.497 1.770 20 0 EDADRP COCC[N@H+](C)C[C@H](O)CN1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000576183018 447993480 /nfs/dbraw/zinc/99/34/80/447993480.db2.gz LERCTBDZLQMGAH-QYZOEREBSA-N 2 0 341.540 1.512 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(N2CC[NH+](C)CC2)n1 ZINC000553679373 448000163 /nfs/dbraw/zinc/00/01/63/448000163.db2.gz FOUZCTNVOXTFAA-INIZCTEOSA-N 2 0 345.491 1.438 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000576289336 448019808 /nfs/dbraw/zinc/01/98/08/448019808.db2.gz ANDQKENJLBJFIJ-UHFFFAOYSA-N 2 0 344.463 1.044 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)Nc2ccn(C3CC[NH+](C)CC3)n2)CC[N@@H+]1C ZINC000491447350 448030617 /nfs/dbraw/zinc/03/06/17/448030617.db2.gz OIPZEBMOGARSOJ-KBPBESRZSA-N 2 0 334.468 1.754 20 0 EDADRP O=C1O[C@@]2(CN1C[N@H+](C[C@@H]1CCOC1)C1CC1)C[NH+]1CCC2CC1 ZINC000497284746 448038795 /nfs/dbraw/zinc/03/87/95/448038795.db2.gz IRDBLVXDXQOKNX-KBXCAEBGSA-N 2 0 335.448 1.361 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531297371 448056351 /nfs/dbraw/zinc/05/63/51/448056351.db2.gz PRSAHMPWEDYRNK-QFBILLFUSA-N 2 0 331.460 1.081 20 0 EDADRP C[C@H](NC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C1=CC[N@H+](C)CC1 ZINC000576647852 448106335 /nfs/dbraw/zinc/10/63/35/448106335.db2.gz HFNINJUCKZDYSP-YOEHRIQHSA-N 2 0 337.533 1.971 20 0 EDADRP OC1(C(F)(F)F)CCC([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)CC1 ZINC000571396697 448145164 /nfs/dbraw/zinc/14/51/64/448145164.db2.gz LAZOQXIWRZARIS-UHFFFAOYSA-N 2 0 347.385 1.597 20 0 EDADRP O=C(N[C@H]1C[NH2+]CCC1(F)F)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000571679572 448189787 /nfs/dbraw/zinc/18/97/87/448189787.db2.gz NGBVGIMDJBHYFS-CABCVRRESA-N 2 0 338.402 1.407 20 0 EDADRP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C[C@H](O)CCc2ccccc2)CC1 ZINC000577366241 448276940 /nfs/dbraw/zinc/27/69/40/448276940.db2.gz PSEIYSWVABAPFG-AZUAARDMSA-N 2 0 333.520 1.843 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)[C@]2(C)CC[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000577368009 448277687 /nfs/dbraw/zinc/27/76/87/448277687.db2.gz HDCZNDHRXDXDLB-UYAOXDASSA-N 2 0 344.503 1.481 20 0 EDADRP COc1cccc(C[C@H]2CCC[N@@H+]2C[C@@H]2CCCN(C(=O)C[NH3+])C2)c1 ZINC000515405067 448308004 /nfs/dbraw/zinc/30/80/04/448308004.db2.gz VZXKOHRLLRFCNP-ZWKOTPCHSA-N 2 0 345.487 1.899 20 0 EDADRP CCOC(=O)CCC1CC[NH+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)CC1 ZINC000591272414 448302917 /nfs/dbraw/zinc/30/29/17/448302917.db2.gz JNQKZWOBVFAWII-INIZCTEOSA-N 2 0 339.480 1.239 20 0 EDADRP COc1ccc(CC[C@@H](C)[NH2+]C[C@H](O)CN2CC[NH+](C)CC2)cc1 ZINC000582660587 448304143 /nfs/dbraw/zinc/30/41/43/448304143.db2.gz KBRBXNZQWPBVJU-AEFFLSMTSA-N 2 0 335.492 1.214 20 0 EDADRP CO[C@H](C[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000515832404 448354582 /nfs/dbraw/zinc/35/45/82/448354582.db2.gz VAOYHXMOZIWACZ-IAGOWNOFSA-N 2 0 341.883 1.225 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC(C)(C)C[NH+]2CCCC2)C[C@H](C)O1 ZINC000572394507 448367490 /nfs/dbraw/zinc/36/74/90/448367490.db2.gz FKLVIJUHCFVKJK-BBWFWOEESA-N 2 0 327.513 1.168 20 0 EDADRP O=C(NCCc1cn2ccccc2n1)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572261220 448331297 /nfs/dbraw/zinc/33/12/97/448331297.db2.gz JJHZHTAFGLZJEO-GOSISDBHSA-N 2 0 327.432 1.662 20 0 EDADRP CN1CCC(CNC(=O)CCCC[NH+](C)C)([NH+]2CCCCC2)CC1 ZINC000516125704 448382978 /nfs/dbraw/zinc/38/29/78/448382978.db2.gz CTUKQLJTSUNWRN-UHFFFAOYSA-N 2 0 338.540 1.785 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC(=O)NC1CC[NH2+]CC1 ZINC000582953925 448387133 /nfs/dbraw/zinc/38/71/33/448387133.db2.gz DYCKCEZNXNHWPV-QAPCUYQASA-N 2 0 330.476 1.948 20 0 EDADRP C[C@@H]1CC[N@H+](C)CCN1C(=O)NCC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000516167884 448390109 /nfs/dbraw/zinc/39/01/09/448390109.db2.gz JXCIFXIXNRESPL-ZXZQKFIBSA-N 2 0 334.508 1.876 20 0 EDADRP CCC[NH+](C)CC(=O)N[C@H]1CC[C@H](NC(=O)C[N@@H+](C)CCC)CC1 ZINC000533603144 448419600 /nfs/dbraw/zinc/41/96/00/448419600.db2.gz QWEOKRJEAZUNNN-WKILWMFISA-N 2 0 340.512 1.214 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+]C[C@H]3CC[NH2+][C@@H](C)C3)C2=O)cc1 ZINC000583012161 448401506 /nfs/dbraw/zinc/40/15/06/448401506.db2.gz WFJOMZAVEXHSIO-ZVZYQTTQSA-N 2 0 331.460 1.774 20 0 EDADRP CN(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C1CC([NH3+])C1 ZINC000577875860 448409710 /nfs/dbraw/zinc/40/97/10/448409710.db2.gz DQECXDCGTQIURQ-UHFFFAOYSA-N 2 0 330.476 1.320 20 0 EDADRP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000566209254 448416321 /nfs/dbraw/zinc/41/63/21/448416321.db2.gz RARJMTNACHPWND-ZDUSSCGKSA-N 2 0 331.416 1.684 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H](C2CCN(C(=O)[C@H]3C[NH2+]Cc4ccccc43)CC2)C1 ZINC000566209477 448416454 /nfs/dbraw/zinc/41/64/54/448416454.db2.gz WZXVDZRZWALBAG-NZSAHSFTSA-N 2 0 343.471 1.618 20 0 EDADRP NCC(F)(F)CC(=O)N1CCN(CCOc2ccccc2)CC1 ZINC000577740732 448374984 /nfs/dbraw/zinc/37/49/84/448374984.db2.gz PATYUKAMFNFYFJ-UHFFFAOYSA-N 2 0 327.375 1.194 20 0 EDADRP CC(=O)c1cccc(OC[C@H](O)C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000578006395 448437110 /nfs/dbraw/zinc/43/71/10/448437110.db2.gz DQQBANOWIXFJLF-FUHWJXTLSA-N 2 0 334.460 1.950 20 0 EDADRP C[N@@H+]1CCC[C@@H]2CN(C(=O)c3cnn([C@@H]4CCC[NH2+]C4)c3)CC[C@@H]21 ZINC000572759587 448458859 /nfs/dbraw/zinc/45/88/59/448458859.db2.gz LCOWKKMJHRMFGO-OIISXLGYSA-N 2 0 331.464 1.364 20 0 EDADRP CC(C)(CN1CCOCC1)NC(=O)NCc1ccc2c[nH+]cn2c1 ZINC000578119482 448464481 /nfs/dbraw/zinc/46/44/81/448464481.db2.gz ISMJDGMCBPTRKW-UHFFFAOYSA-N 2 0 331.420 1.244 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000572880998 448489472 /nfs/dbraw/zinc/48/94/72/448489472.db2.gz XAPSBTPWLIZRNM-RRFJBIMHSA-N 2 0 348.491 1.474 20 0 EDADRP Cc1ccc2[nH]c([C@@H]3CCC[N@H+](CCN4CC[NH2+]CC4)C3)nc2c1 ZINC000578237760 448495560 /nfs/dbraw/zinc/49/55/60/448495560.db2.gz IKKIOSJYDNMEBQ-MRXNPFEDSA-N 2 0 327.476 1.956 20 0 EDADRP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000566573124 448512295 /nfs/dbraw/zinc/51/22/95/448512295.db2.gz PLIFYEXBHDNKKU-KRWDZBQOSA-N 2 0 348.491 1.066 20 0 EDADRP CC(C)[N@H+](C)CC1CCN(C(=O)c2cn(C[C@H]3CCC[NH2+]3)nn2)CC1 ZINC000578502609 448561825 /nfs/dbraw/zinc/56/18/25/448561825.db2.gz WKIDKANGSSFWFT-MRXNPFEDSA-N 2 0 348.495 1.223 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000537961719 448574872 /nfs/dbraw/zinc/57/48/72/448574872.db2.gz VLMWSJXZHDFHOY-OWCLPIDISA-N 2 0 343.479 1.271 20 0 EDADRP CC[NH+]1CCC(CNC(=O)[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000566889718 448576524 /nfs/dbraw/zinc/57/65/24/448576524.db2.gz VDSPJXCHVVXXJX-FQEVSTJZSA-N 2 0 345.487 1.472 20 0 EDADRP COc1ccc([C@@H](CNC(=O)N2CC[NH2+]CC2)[NH+]2CCCCC2)cc1 ZINC000517098480 448538505 /nfs/dbraw/zinc/53/85/05/448538505.db2.gz YENWFIFYXDCMSN-GOSISDBHSA-N 2 0 346.475 1.837 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)C1(S(C)(=O)=O)CC1 ZINC000584735777 448615056 /nfs/dbraw/zinc/61/50/56/448615056.db2.gz IODNLWMUUHPBQV-ZDUSSCGKSA-N 2 0 334.445 1.631 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCc2ccc3ccccc3c2)CC1 ZINC000578737594 448621783 /nfs/dbraw/zinc/62/17/83/448621783.db2.gz KPTNSWUHXLUYKH-FQEVSTJZSA-N 2 0 327.472 1.580 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000566903739 448581228 /nfs/dbraw/zinc/58/12/28/448581228.db2.gz IQZPSVXMYVJKCJ-IRXDYDNUSA-N 2 0 346.475 1.378 20 0 EDADRP Cn1cc(CN(CCn2ccnc2)C(=O)c2ccc3nccn3c2)cn1 ZINC000517996386 448638600 /nfs/dbraw/zinc/63/86/00/448638600.db2.gz WKPJFDPDRZWWIR-UHFFFAOYSA-N 2 0 349.398 1.607 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)[C@@H](C)C1 ZINC000528706824 448639459 /nfs/dbraw/zinc/63/94/59/448639459.db2.gz DYLLXTHALOXLLK-KBPBESRZSA-N 2 0 348.447 1.087 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)N2CC[NH2+]CC2)C1 ZINC000518179202 448652062 /nfs/dbraw/zinc/65/20/62/448652062.db2.gz OEONAXWHDAYHFJ-INIZCTEOSA-N 2 0 338.540 1.687 20 0 EDADRP Cc1ncncc1[C@H](C)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000518214892 448656000 /nfs/dbraw/zinc/65/60/00/448656000.db2.gz FWIWDOKYDDTXLP-AWEZNQCLSA-N 2 0 326.448 1.783 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCC[N@H+](CC[C@H]3CC[NH2+]C3)CC2)n1 ZINC000567276566 448655985 /nfs/dbraw/zinc/65/59/85/448655985.db2.gz NMPOGQQTNBTSOD-LSDHHAIUSA-N 2 0 337.468 1.284 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000517897083 448627346 /nfs/dbraw/zinc/62/73/46/448627346.db2.gz PQCRAIVCPDWWOH-JCGIZDLHSA-N 2 0 328.460 1.607 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC([C@H]2OCCC[C@H]2[NH3+])CC1 ZINC000579005161 448694566 /nfs/dbraw/zinc/69/45/66/448694566.db2.gz FYWBXQXKSHECEK-FGTMMUONSA-N 2 0 331.460 1.301 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000567494279 448703072 /nfs/dbraw/zinc/70/30/72/448703072.db2.gz XHKSIVZYERYMDJ-IEBWSBKVSA-N 2 0 348.487 1.825 20 0 EDADRP O=C(NCC[N@@H+]1CCc2ccccc2C1)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000578969119 448680306 /nfs/dbraw/zinc/68/03/06/448680306.db2.gz GFHKSYPLQMQCNL-BHIYHBOVSA-N 2 0 342.487 1.732 20 0 EDADRP CN1CCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)[C@H](C[NH3+])C1 ZINC000579332112 448767772 /nfs/dbraw/zinc/76/77/72/448767772.db2.gz RQYMSSABTPLUBT-SJORKVTESA-N 2 0 334.439 1.951 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCC1CCN(c2cc[nH+]cc2)CC1 ZINC000529321729 448822086 /nfs/dbraw/zinc/82/20/86/448822086.db2.gz JHJIDFHMQYXAHN-SFHVURJKSA-N 2 0 345.491 1.937 20 0 EDADRP O=c1c2ccccc2ncn1CC[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000574324401 448845786 /nfs/dbraw/zinc/84/57/86/448845786.db2.gz LXJTUHCKLKEHKA-JKSUJKDBSA-N 2 0 326.444 1.718 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)NC[C@H]3CC[C@H](C[NH3+])CC3)ccn2)CC1 ZINC000574280719 448835047 /nfs/dbraw/zinc/83/50/47/448835047.db2.gz PTWOQALLNFSCMG-WKILWMFISA-N 2 0 345.491 1.328 20 0 EDADRP Cc1cc(C(=O)N2CCN(C)C[C@@H]2C[NH3+])c(C)cc1Br ZINC000579708559 448858402 /nfs/dbraw/zinc/85/84/02/448858402.db2.gz PUZUUUJNOXKYPS-LBPRGKRZSA-N 2 0 340.265 1.781 20 0 EDADRP C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)c2cnn3c2[C@H](C[NH3+])CCC3)C1 ZINC000592563102 448902727 /nfs/dbraw/zinc/90/27/27/448902727.db2.gz WAIDRSNZDMUSLC-SQWLQELKSA-N 2 0 331.464 1.276 20 0 EDADRP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000574569188 448904182 /nfs/dbraw/zinc/90/41/82/448904182.db2.gz KCTMQXSADLNDQB-KSSFIOAISA-N 2 0 328.460 1.738 20 0 EDADRP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000574625106 448918211 /nfs/dbraw/zinc/91/82/11/448918211.db2.gz WDYUCDCKHPOOEX-KRWDZBQOSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@H]1C[C@H](CCNC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000520771052 448928325 /nfs/dbraw/zinc/92/83/25/448928325.db2.gz MAERAQGEPZWKBC-GPFWEFOESA-N 2 0 342.487 1.804 20 0 EDADRP CN(C)[C@H](CNC[C@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804116 448959574 /nfs/dbraw/zinc/95/95/74/448959574.db2.gz XUPNSSNRYSJWIW-WMLDXEAASA-N 2 0 325.884 1.987 20 0 EDADRP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC000548023095 448969053 /nfs/dbraw/zinc/96/90/53/448969053.db2.gz QOVWNYJZXOLQDT-LSDHHAIUSA-N 2 0 336.505 1.684 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000569203148 448978059 /nfs/dbraw/zinc/97/80/59/448978059.db2.gz SALBJMNVTQDPGB-FGTMMUONSA-N 2 0 330.476 1.916 20 0 EDADRP OCCN1CC[NH+](CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000520838167 448937933 /nfs/dbraw/zinc/93/79/33/448937933.db2.gz RSJLDAPCVVWPGF-UHFFFAOYSA-N 2 0 330.476 1.648 20 0 EDADRP O=C(Nc1cnc2n1CCCC2)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000569558306 449042089 /nfs/dbraw/zinc/04/20/89/449042089.db2.gz MNJJLJRTZOVZCD-LJQANCHMSA-N 2 0 340.427 1.795 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)[C@@H]1CCC[NH+](Cc2cccnc2)C1 ZINC000522176906 449060249 /nfs/dbraw/zinc/06/02/49/449060249.db2.gz ALAZZJJQOMPOOR-GOSISDBHSA-N 2 0 348.491 1.378 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4COCCN4)[C@H]3C2)cc1 ZINC000530227631 449088527 /nfs/dbraw/zinc/08/85/27/449088527.db2.gz UJPOSJUHEXPYQS-MUGJNUQGSA-N 2 0 329.488 1.865 20 0 EDADRP O=C(C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1)NCC1CCCCC1 ZINC000530240080 449091010 /nfs/dbraw/zinc/09/10/10/449091010.db2.gz XHZGMAWUYPNWHL-SFHVURJKSA-N 2 0 337.508 1.773 20 0 EDADRP CCOC(=O)c1cccc(C[NH2+]C[C@@H](C)N2CC[NH+](CC)CC2)n1 ZINC000600124387 449204404 /nfs/dbraw/zinc/20/44/04/449204404.db2.gz SBPFMDBPRSYMJM-OAHLLOKOSA-N 2 0 334.464 1.374 20 0 EDADRP CCOC(=O)CC(C)(C)CC[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863063 449215117 /nfs/dbraw/zinc/21/51/17/449215117.db2.gz KFMTZRBGDASPMV-MRXNPFEDSA-N 2 0 326.481 1.887 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000595900981 449242122 /nfs/dbraw/zinc/24/21/22/449242122.db2.gz QXFDNSHLZUFJDJ-GOEBONIOSA-N 2 0 338.496 1.568 20 0 EDADRP COC(=O)C1CC[NH+](CCCNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000595923488 449256807 /nfs/dbraw/zinc/25/68/07/449256807.db2.gz XFNWOIBPNLETNI-UHFFFAOYSA-N 2 0 345.443 1.295 20 0 EDADRP [NH3+]C[C@@H]1CCCn2ncc(C(=O)N[C@H]3CC[N@@H+](C4CCCCC4)C3)c21 ZINC000595966563 449288721 /nfs/dbraw/zinc/28/87/21/449288721.db2.gz QIHAHGQWSFAOIP-GJZGRUSLSA-N 2 0 345.491 1.856 20 0 EDADRP OCC1([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCOCC1 ZINC000604767190 449292040 /nfs/dbraw/zinc/29/20/40/449292040.db2.gz SMWIIZMBFPGMCN-UHFFFAOYSA-N 2 0 334.460 1.792 20 0 EDADRP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2([S@@](C)=O)CC[NH2+]CC2)C1 ZINC000602469281 449615662 /nfs/dbraw/zinc/61/56/62/449615662.db2.gz PWHWXRUIDZGUHJ-QKFKETGDSA-N 2 0 343.537 1.114 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCC2)CC1 ZINC000594738066 449658197 /nfs/dbraw/zinc/65/81/97/449658197.db2.gz DPZLZNDSNUVHFR-AWEZNQCLSA-N 2 0 339.480 1.428 20 0 EDADRP C[NH+]1CCC(C[NH2+]C[C@@H]2CNc3ccnn3C2)(N2CCCCC2)CC1 ZINC000608064927 449740190 /nfs/dbraw/zinc/74/01/90/449740190.db2.gz JMMQAOOKFNOHFF-QGZVFWFLSA-N 2 0 346.523 1.465 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C4CC4)cnn3C)C2)CC1 ZINC000597026610 449773756 /nfs/dbraw/zinc/77/37/56/449773756.db2.gz PLHDHFBDHITEGR-QGZVFWFLSA-N 2 0 331.508 1.898 20 0 EDADRP Cn1cncc1[C@@H]1C[C@H]1C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000612723851 449849542 /nfs/dbraw/zinc/84/95/42/449849542.db2.gz BQESCHUJPIEVBD-DZUCGIPZSA-N 2 0 328.460 1.999 20 0 EDADRP C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000612897972 449932865 /nfs/dbraw/zinc/93/28/65/449932865.db2.gz AFXJQRQBUUNIBW-IEZWGBDMSA-N 2 0 330.476 1.948 20 0 EDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N[C@]2(C)CC[NH2+]C2)cc1 ZINC000612865238 449916476 /nfs/dbraw/zinc/91/64/76/449916476.db2.gz OJCUHSSNQICEDY-LJQANCHMSA-N 2 0 348.491 1.958 20 0 EDADRP C[C@@H]1[C@H](C(=O)NCC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000617974667 449956948 /nfs/dbraw/zinc/95/69/48/449956948.db2.gz VOSBYQXGULYVPL-CRAIPNDOSA-N 2 0 330.476 1.750 20 0 EDADRP CC(C)CNC(=O)NC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133429 449963566 /nfs/dbraw/zinc/96/35/66/449963566.db2.gz CNCOCXNRNLCIHB-HNNXBMFYSA-N 2 0 340.512 1.909 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000612990058 449973316 /nfs/dbraw/zinc/97/33/16/449973316.db2.gz NPODYHAEFQWDBH-INIZCTEOSA-N 2 0 345.447 1.064 20 0 EDADRP CO[C@H](C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)[C@H]1CCOC1 ZINC000595341290 450054131 /nfs/dbraw/zinc/05/41/31/450054131.db2.gz VGFQHEWBDIALNI-RCCFBDPRSA-N 2 0 325.497 1.138 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000613804298 450321417 /nfs/dbraw/zinc/32/14/17/450321417.db2.gz PSJFYCIESSEQIL-LJQANCHMSA-N 2 0 345.487 1.705 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N(CCN2CCOCC2)CC2CC2)c1 ZINC000619890028 450357649 /nfs/dbraw/zinc/35/76/49/450357649.db2.gz NNWVSJDBFDYZFZ-UHFFFAOYSA-N 2 0 345.487 1.933 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(N3CC[NH+](C)CC3)n2)C1 ZINC000619897391 450364100 /nfs/dbraw/zinc/36/41/00/450364100.db2.gz KKJWGRNBYZJLBJ-HNNXBMFYSA-N 2 0 331.464 1.048 20 0 EDADRP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)[C@@H]1C ZINC000619425398 450471179 /nfs/dbraw/zinc/47/11/79/450471179.db2.gz FKYIJJGCEWOMSL-PMPSAXMXSA-N 2 0 325.497 1.580 20 0 EDADRP COC1CC[NH+](CCNC(=O)Nc2ccc3c(c2)OCC[NH2+]C3)CC1 ZINC000625942811 450539433 /nfs/dbraw/zinc/53/94/33/450539433.db2.gz DPRZMSLQPMMDKC-UHFFFAOYSA-N 2 0 348.447 1.401 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)NCC2CC[NH+](CC3CC3)CC2)cn1 ZINC000620935704 450564091 /nfs/dbraw/zinc/56/40/91/450564091.db2.gz WQKGUBZSVOZNMG-UHFFFAOYSA-N 2 0 330.476 1.995 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633039994 450637089 /nfs/dbraw/zinc/63/70/89/450637089.db2.gz GBTLKQDXTPZHLQ-MRXNPFEDSA-N 2 0 338.496 1.367 20 0 EDADRP CNS(=O)(=O)CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000621272169 450647586 /nfs/dbraw/zinc/64/75/86/450647586.db2.gz GCUMOLUEONPEIB-UHFFFAOYSA-N 2 0 340.493 1.169 20 0 EDADRP CCC(CC)[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCC1)N1CCOCC1 ZINC000629554316 450733508 /nfs/dbraw/zinc/73/35/08/450733508.db2.gz FOOXAYLVCNFEJX-ROUUACIJSA-N 2 0 327.513 1.170 20 0 EDADRP C[NH2+]CCOCC[N@H+](C)[C@H](C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000629570025 450740716 /nfs/dbraw/zinc/74/07/16/450740716.db2.gz SQIUFRJZMUJCJS-CABCVRRESA-N 2 0 339.505 1.968 20 0 EDADRP C[C@H](c1ccncc1)[NH+]1CCC(NC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000629571512 450742254 /nfs/dbraw/zinc/74/22/54/450742254.db2.gz VNSZRSYIDUEGNE-APWZRJJASA-N 2 0 332.492 1.653 20 0 EDADRP CCC[N@H+](C)[C@@H](CNc1nc(N)[nH+]c(N)n1)c1ccc(Cl)cc1 ZINC000624209507 450747463 /nfs/dbraw/zinc/74/74/63/450747463.db2.gz HKVFUZAHWZCJQP-LBPRGKRZSA-N 2 0 335.843 1.267 20 0 EDADRP C[N@@H+]1C[C@H](C(=O)N[C@H]2CCC[NH+](CCCO)C2)[C@@H](c2ccccc2)C1 ZINC000627575193 450821439 /nfs/dbraw/zinc/82/14/39/450821439.db2.gz IAKURGSTBVUJDB-OTWHNJEPSA-N 2 0 345.487 1.295 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000624399026 450833397 /nfs/dbraw/zinc/83/33/97/450833397.db2.gz FCNAAJMVEBIULM-GOEBONIOSA-N 2 0 332.448 1.952 20 0 EDADRP Cn1c2cc(C[N@@H+]3CCC[C@H]([C@H]4C[C@H]([NH3+])CCO4)C3)ccc2oc1=O ZINC000631828847 450801594 /nfs/dbraw/zinc/80/15/94/450801594.db2.gz AATZKNQIHPMYNQ-HDMKZQKVSA-N 2 0 345.443 1.850 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000629912803 450881705 /nfs/dbraw/zinc/88/17/05/450881705.db2.gz NFGYUBFDXBUNQB-ROUUACIJSA-N 2 0 331.460 1.081 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000631940582 450897938 /nfs/dbraw/zinc/89/79/38/450897938.db2.gz ANDRNQBXZOVOGG-JKSUJKDBSA-N 2 0 329.510 1.124 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(N2CCCCC2)ncn1 ZINC000621884095 450918561 /nfs/dbraw/zinc/91/85/61/450918561.db2.gz CRUMENZQCFYQMY-UHFFFAOYSA-N 2 0 348.495 1.032 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000631933704 450891362 /nfs/dbraw/zinc/89/13/62/450891362.db2.gz HSWJMWKPXSFEBP-INIZCTEOSA-N 2 0 329.510 1.266 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC[C@H]1C(F)(F)F ZINC000630092692 450991217 /nfs/dbraw/zinc/99/12/17/450991217.db2.gz RZJHYHOMBHXRGK-CHWSQXEVSA-N 2 0 333.398 1.848 20 0 EDADRP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCC(C(N)=O)CC2)cc1)[NH+](C)C ZINC000635468511 450967854 /nfs/dbraw/zinc/96/78/54/450967854.db2.gz YWBDVCSQYYIMAQ-CQSZACIVSA-N 2 0 346.475 1.315 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000632035986 450987241 /nfs/dbraw/zinc/98/72/41/450987241.db2.gz HGHFELFJXDVVCP-KRWDZBQOSA-N 2 0 343.537 1.610 20 0 EDADRP C[N@H+](CC(=O)NC[C@@H](O)C[NH+]1CCc2ccccc2C1)C1CCC1 ZINC000629995945 450941328 /nfs/dbraw/zinc/94/13/28/450941328.db2.gz MUKPLZQKBKYLBK-GOSISDBHSA-N 2 0 331.460 1.006 20 0 EDADRP CN(CCOCC[NH3+])C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000626935062 451018000 /nfs/dbraw/zinc/01/80/00/451018000.db2.gz WMAMWCXAPFGKNJ-UHFFFAOYSA-N 2 0 334.464 1.052 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626946544 451025038 /nfs/dbraw/zinc/02/50/38/451025038.db2.gz ROJSEFWUIIUUGF-RDJZCZTQSA-N 2 0 346.475 1.629 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCC2([NH3+])CCOCC2)C1 ZINC000626975480 451045676 /nfs/dbraw/zinc/04/56/76/451045676.db2.gz UTEXYGAMSXLAOD-OAHLLOKOSA-N 2 0 340.512 1.694 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635536159 451030739 /nfs/dbraw/zinc/03/07/39/451030739.db2.gz ROYOHPLLKSXUIX-OALUTQOASA-N 2 0 348.535 1.632 20 0 EDADRP C[C@H]1CC[C@@H](NC(=O)NCc2ccccc2OCC[NH+](C)C)C[NH2+]1 ZINC000626956408 451033214 /nfs/dbraw/zinc/03/32/14/451033214.db2.gz NIYWGKUKJKYPIE-GOEBONIOSA-N 2 0 334.464 1.567 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)NC[C@H]2COCC[NH2+]2)[NH+]2CCCC2)o1 ZINC000626963592 451037783 /nfs/dbraw/zinc/03/77/83/451037783.db2.gz TXUSSPONIZMTPP-LSDHHAIUSA-N 2 0 336.436 1.013 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)[N@H+](C)Cc1ccccc1 ZINC000626975099 451043969 /nfs/dbraw/zinc/04/39/69/451043969.db2.gz NSKWZQYKLBHUKA-HNNXBMFYSA-N 2 0 334.464 1.314 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@H]3CC[NH+]3C3CCCC3)CC2)C1 ZINC000635570932 451070859 /nfs/dbraw/zinc/07/08/59/451070859.db2.gz PGMHZHKAQADBSF-QZTJIDSGSA-N 2 0 334.508 1.242 20 0 EDADRP [NH3+]CC1(NC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000627023586 451087730 /nfs/dbraw/zinc/08/77/30/451087730.db2.gz YNLYSVBSQBKOOY-KRWDZBQOSA-N 2 0 346.475 1.316 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000627034106 451093304 /nfs/dbraw/zinc/09/33/04/451093304.db2.gz YMNSVJMEFZIHRV-DOTOQJQBSA-N 2 0 336.480 1.555 20 0 EDADRP CC(C)[N@H+](C)C[C@H](C)NC(=O)N1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000627037703 451095655 /nfs/dbraw/zinc/09/56/55/451095655.db2.gz BJIWKRFJBNFWBR-YNEHKIRRSA-N 2 0 338.418 1.884 20 0 EDADRP O=C(NC[C@H]1COCC[NH2+]1)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000626979221 451047180 /nfs/dbraw/zinc/04/71/80/451047180.db2.gz UIWIGHADQOFANS-ZWKOTPCHSA-N 2 0 346.475 1.501 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)N(C)CCOCC[NH3+])CC1 ZINC000626980847 451049864 /nfs/dbraw/zinc/04/98/64/451049864.db2.gz VWYKHLNDXSALEJ-INIZCTEOSA-N 2 0 348.491 1.829 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)NCc2ccnc(OCC[NH+](C)C)c2)CC[N@@H+]1C ZINC000632200915 451109970 /nfs/dbraw/zinc/10/99/70/451109970.db2.gz MVAMYGVYPCHNEP-JKSUJKDBSA-N 2 0 334.464 1.369 20 0 EDADRP CCC1([NH+]2CCOCC2)CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)CC1 ZINC000627081714 451114351 /nfs/dbraw/zinc/11/43/51/451114351.db2.gz WSHFQJFWJHJXMU-MRXNPFEDSA-N 2 0 340.512 1.646 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000627111392 451128150 /nfs/dbraw/zinc/12/81/50/451128150.db2.gz BQEQPOLGCLTXQQ-ZWKOTPCHSA-N 2 0 345.491 1.733 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC000635645321 451131649 /nfs/dbraw/zinc/13/16/49/451131649.db2.gz YIQLKPZWWDMZIJ-UHFFFAOYSA-N 2 0 337.508 1.868 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CC[C@@H]1C(F)(F)F ZINC000627119531 451134452 /nfs/dbraw/zinc/13/44/52/451134452.db2.gz PTDOQGLGGOAMSQ-GRYCIOLGSA-N 2 0 334.386 1.297 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000627126726 451139735 /nfs/dbraw/zinc/13/97/35/451139735.db2.gz JMVJFQDMJSTHBU-HNNXBMFYSA-N 2 0 336.480 1.167 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@H]1CCN(C(=O)NCC2([NH3+])CCOCC2)C1 ZINC000627161328 451155983 /nfs/dbraw/zinc/15/59/83/451155983.db2.gz JRQGKBNZQUHHSN-KRWDZBQOSA-N 2 0 346.475 1.410 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632255195 451145708 /nfs/dbraw/zinc/14/57/08/451145708.db2.gz MIIJSRCOYLNASK-HOTGVXAUSA-N 2 0 331.526 1.512 20 0 EDADRP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627153732 451152180 /nfs/dbraw/zinc/15/21/80/451152180.db2.gz KOHIYKCSIFFNCC-UHFFFAOYSA-N 2 0 348.491 1.788 20 0 EDADRP C[NH2+]CCOCCNC(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000627176185 451165886 /nfs/dbraw/zinc/16/58/86/451165886.db2.gz MPNOXFMUCUQMRQ-KRWDZBQOSA-N 2 0 334.464 1.138 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)C1 ZINC000627200271 451183532 /nfs/dbraw/zinc/18/35/32/451183532.db2.gz NJBCFYCECKJIOC-ARFHVFGLSA-N 2 0 326.485 1.269 20 0 EDADRP CC(C)[NH+]1CCC(N2CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC000635715543 451194226 /nfs/dbraw/zinc/19/42/26/451194226.db2.gz JSMALULPCFVCRA-UHFFFAOYSA-N 2 0 336.524 1.345 20 0 EDADRP O=C(N[C@@H]1CC[NH2+]C1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000627253246 451209774 /nfs/dbraw/zinc/20/97/74/451209774.db2.gz UOBDOGAILHBMAR-MRXNPFEDSA-N 2 0 343.475 1.002 20 0 EDADRP C[C@@H](NC(=O)c1cnn(CC[NH+](C)C)c1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000632370071 451231528 /nfs/dbraw/zinc/23/15/28/451231528.db2.gz VFRGFCRTWBMEAR-CVEARBPZSA-N 2 0 347.507 1.828 20 0 EDADRP CO[C@@H]1C[NH2+][C@@](C)(C(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)C1 ZINC000638083653 451248558 /nfs/dbraw/zinc/24/85/58/451248558.db2.gz BBIPRQJTINMAMO-ZIFCJYIRSA-N 2 0 337.508 1.724 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000638098458 451262932 /nfs/dbraw/zinc/26/29/32/451262932.db2.gz GCEOMVCJQGUXPW-QGZVFWFLSA-N 2 0 331.460 1.102 20 0 EDADRP C[C@H](C(=O)NCc1ccc2c(c1)CN(C(=O)[C@@H](C)[NH+](C)C)C2)[NH+](C)C ZINC000635815686 451263718 /nfs/dbraw/zinc/26/37/18/451263718.db2.gz GGHINLWAGQQNGH-ZIAGYGMSSA-N 2 0 346.475 1.045 20 0 EDADRP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000638102405 451269118 /nfs/dbraw/zinc/26/91/18/451269118.db2.gz UMMUYFNHJMOWCY-AWEZNQCLSA-N 2 0 339.443 1.891 20 0 EDADRP CO[C@H]1C[NH2+][C@](C)(C(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000638104353 451271880 /nfs/dbraw/zinc/27/18/80/451271880.db2.gz YJMRGHSRPWWURQ-MJGOQNOKSA-N 2 0 349.475 1.053 20 0 EDADRP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)C1 ZINC000638112120 451279240 /nfs/dbraw/zinc/27/92/40/451279240.db2.gz QMJVNBWRVDTSGJ-VKJFTORMSA-N 2 0 325.497 1.770 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(S(N)(=O)=O)cc2)[C@@H](C)C1 ZINC000638113234 451280689 /nfs/dbraw/zinc/28/06/89/451280689.db2.gz AFHPBEMCWRRXQR-BBRMVZONSA-N 2 0 325.478 1.496 20 0 EDADRP Cc1ccc(NC(=O)c2cnc(C[NH3+])nc2)c(OCC[NH+](C)C)c1 ZINC000638120440 451287745 /nfs/dbraw/zinc/28/77/45/451287745.db2.gz ZWEDAYPENYHIJZ-UHFFFAOYSA-N 2 0 329.404 1.436 20 0 EDADRP C[N@@H+]1CCC[C@@H](CNC(=O)c2cnc(C[NH3+])nc2)[C@@H]1c1cccs1 ZINC000638121688 451291323 /nfs/dbraw/zinc/29/13/23/451291323.db2.gz GOWQAFIMHSUDAD-BLLLJJGKSA-N 2 0 345.472 1.810 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@]1(C)C[NH2+]CCO1)c1ccc(Cl)cc1 ZINC000638132381 451303234 /nfs/dbraw/zinc/30/32/34/451303234.db2.gz HJJSROMPQGDCAM-ZBFHGGJFSA-N 2 0 325.840 1.437 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C[NH3+])CCCOC1)c1ccc(Cl)cc1 ZINC000638134816 451306817 /nfs/dbraw/zinc/30/68/17/451306817.db2.gz QEJSKVYYHUYUGG-NVXWUHKLSA-N 2 0 339.867 1.814 20 0 EDADRP CN1CC[N@H+](CCCNC(=O)CCC2C[NH2+]C2)[C@@H](c2ccccc2)C1 ZINC000638137791 451312449 /nfs/dbraw/zinc/31/24/49/451312449.db2.gz NVSNNEJBNLOSII-LJQANCHMSA-N 2 0 344.503 1.481 20 0 EDADRP CCOc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638139569 451314846 /nfs/dbraw/zinc/31/48/46/451314846.db2.gz MDSQABCNXZUWQN-OAHLLOKOSA-N 2 0 344.459 1.823 20 0 EDADRP CCC[NH2+]CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2 ZINC000638144722 451317809 /nfs/dbraw/zinc/31/78/09/451317809.db2.gz DULQYXMZHFYYPD-AZUAARDMSA-N 2 0 345.487 1.641 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CCN(C(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)C1 ZINC000638154625 451326110 /nfs/dbraw/zinc/32/61/10/451326110.db2.gz CKFFQRVSUHKSEU-OCCSQVGLSA-N 2 0 345.447 1.113 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)N[C@@H](C[NH3+])C2CC2)CC1 ZINC000638155551 451326137 /nfs/dbraw/zinc/32/61/37/451326137.db2.gz LGRYUVMAKBTQCL-SFHVURJKSA-N 2 0 330.476 1.950 20 0 EDADRP CC[C@H]([NH3+])CNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638254875 451383240 /nfs/dbraw/zinc/38/32/40/451383240.db2.gz JALKKFVLBINKPF-SCTDSRPQSA-N 2 0 331.460 1.379 20 0 EDADRP C[C@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635948351 451388716 /nfs/dbraw/zinc/38/87/16/451388716.db2.gz LZCKJSPLGNWASV-YJBOKZPZSA-N 2 0 335.492 1.715 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)c1 ZINC000638277263 451396573 /nfs/dbraw/zinc/39/65/73/451396573.db2.gz SRWDMJQJQGOSQH-ROUUACIJSA-N 2 0 349.475 1.134 20 0 EDADRP C[NH+](C)CCOCCNC(=O)[C@@H]([NH3+])c1ccc(C(F)(F)F)cc1 ZINC000638290823 451407442 /nfs/dbraw/zinc/40/74/42/451407442.db2.gz KOLLSBFGQMXCQI-ZDUSSCGKSA-N 2 0 333.354 1.400 20 0 EDADRP O=C(CCC1C[NH2+]C1)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000638302881 451417252 /nfs/dbraw/zinc/41/72/52/451417252.db2.gz LITMJCGAGKKTOC-SFHVURJKSA-N 2 0 331.460 1.393 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000638307352 451421540 /nfs/dbraw/zinc/42/15/40/451421540.db2.gz DBHZDIBQMKOJGE-JCHJZTRSSA-N 2 0 345.487 1.862 20 0 EDADRP C[C@@H](NC(=O)c1cnc(C[NH3+])nc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638309595 451422486 /nfs/dbraw/zinc/42/24/86/451422486.db2.gz SEAJZFDLTXYYFM-ZBFHGGJFSA-N 2 0 339.443 1.576 20 0 EDADRP C[C@H](OCc1ccccc1)[C@@H]([NH3+])C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000638313319 451425560 /nfs/dbraw/zinc/42/55/60/451425560.db2.gz TZYMFCFGIQQLHR-DZJNRPSUSA-N 2 0 331.460 1.472 20 0 EDADRP CCn1ncc(C(=O)N(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)c1C ZINC000630880958 451459341 /nfs/dbraw/zinc/45/93/41/451459341.db2.gz XECOGJHDMLLWAE-MRXNPFEDSA-N 2 0 335.496 1.700 20 0 EDADRP C[C@H]1CC2(CN1C(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1)CC[NH2+]CC2 ZINC000638364883 451461964 /nfs/dbraw/zinc/46/19/64/451461964.db2.gz CUCGCBOYDTXFDX-WMZOPIPTSA-N 2 0 344.503 1.436 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCNC(=O)C3)cc2)CC1 ZINC000638368291 451466381 /nfs/dbraw/zinc/46/63/81/451466381.db2.gz VEVIIWYZQYTYMT-SFHVURJKSA-N 2 0 330.476 1.192 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](N)C[N@H+](C)Cc1ccccc1 ZINC000638419337 451504149 /nfs/dbraw/zinc/50/41/49/451504149.db2.gz HADBNYWEABTUDY-MJGOQNOKSA-N 2 0 346.519 1.682 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCC2CC[NH+](CC3CC3)CC2)c1 ZINC000638432797 451511734 /nfs/dbraw/zinc/51/17/34/451511734.db2.gz MSRLLQUUWLLCGM-LJQANCHMSA-N 2 0 345.487 1.803 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000638432581 451512743 /nfs/dbraw/zinc/51/27/43/451512743.db2.gz LOWFRJULHJLTQC-SJORKVTESA-N 2 0 335.448 1.264 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N[C@H]3C[C@@H]([NH+]4CCCC4)C3)ccn2)CC1 ZINC000636095776 451513037 /nfs/dbraw/zinc/51/30/37/451513037.db2.gz MUGRELBRYBUBKI-CALCHBBNSA-N 2 0 343.475 1.190 20 0 EDADRP CO[C@@H](C[NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCOCC1 ZINC000638455723 451525304 /nfs/dbraw/zinc/52/53/04/451525304.db2.gz YVWSMFMVKSXIJQ-SFHVURJKSA-N 2 0 348.491 1.365 20 0 EDADRP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC000631044584 451550013 /nfs/dbraw/zinc/55/00/13/451550013.db2.gz MHXFITGWRRQPLO-LJQANCHMSA-N 2 0 347.503 1.829 20 0 EDADRP CC(C)[C@@H]1CN(C(=O)[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000638512997 451552708 /nfs/dbraw/zinc/55/27/08/451552708.db2.gz KKNZLNBFPOCWDF-ZWKOTPCHSA-N 2 0 331.460 1.344 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000638539243 451566939 /nfs/dbraw/zinc/56/69/39/451566939.db2.gz KZKJKDSWDKBBEU-UHFFFAOYSA-N 2 0 349.519 1.870 20 0 EDADRP [NH3+]Cc1cccc2c1N(C(=O)c1cn(C[C@@H]3CCC[NH2+]3)nn1)CCC2 ZINC000638543248 451570640 /nfs/dbraw/zinc/57/06/40/451570640.db2.gz GWIUMORDPPGBSE-HNNXBMFYSA-N 2 0 340.431 1.082 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]Cc2ccc(=O)[nH]c2)cc1 ZINC000631077183 451570739 /nfs/dbraw/zinc/57/07/39/451570739.db2.gz WDFGXPAPRAJDQT-UHFFFAOYSA-N 2 0 328.416 1.368 20 0 EDADRP C[C@H]1CC[C@H](NC(=O)c2nnn(C3CC[NH2+]CC3)c2C(F)F)C[NH2+]1 ZINC000638638787 451625255 /nfs/dbraw/zinc/62/52/55/451625255.db2.gz GENADHIIDGRSER-UWVGGRQHSA-N 2 0 342.394 1.011 20 0 EDADRP CO[C@@H](C)c1noc(CN2CCCN(CC34CC(C3)C[NH2+]4)CC2)n1 ZINC000634993535 451639543 /nfs/dbraw/zinc/63/95/43/451639543.db2.gz XPDSHCILWSCORD-CBCUQQMYSA-N 2 0 335.452 1.037 20 0 EDADRP [NH3+]CCCOCCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C1CC1 ZINC000638664121 451639831 /nfs/dbraw/zinc/63/98/31/451639831.db2.gz QSJOZMBRUWMUGG-RBUKOAKNSA-N 2 0 345.487 1.626 20 0 EDADRP C[C@@H](c1cccc(N2CCCS2(=O)=O)c1)N(C)CC12CC(C1)C[NH2+]2 ZINC000634993822 451640112 /nfs/dbraw/zinc/64/01/12/451640112.db2.gz HIVJDMPUGRIRPG-SYJJWHGVSA-N 2 0 349.500 1.971 20 0 EDADRP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)N1CCOCC1 ZINC000638669252 451641452 /nfs/dbraw/zinc/64/14/52/451641452.db2.gz PWTFTUQEOAGIGN-INIZCTEOSA-N 2 0 325.497 1.188 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)Nc2ccc3c(c2)OCC[NH2+]C3)C1(C)C ZINC000638670554 451641934 /nfs/dbraw/zinc/64/19/34/451641934.db2.gz FECBMJBPOYETIJ-CRAIPNDOSA-N 2 0 333.432 1.640 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000638786331 451692241 /nfs/dbraw/zinc/69/22/41/451692241.db2.gz MBUZHIUYDXKSGS-ROUUACIJSA-N 2 0 347.459 1.312 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)NCc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000638844014 451708819 /nfs/dbraw/zinc/70/88/19/451708819.db2.gz VJJMUZQSMWPDDH-QFBILLFUSA-N 2 0 331.460 1.481 20 0 EDADRP CC1([NH+]2CCCC2)CCN(C(=O)c2cn([C@H]3CCC[NH2+]C3)nn2)CC1 ZINC000638860701 451713499 /nfs/dbraw/zinc/71/34/99/451713499.db2.gz CFRJJGORMAECMJ-HNNXBMFYSA-N 2 0 346.479 1.293 20 0 EDADRP C[C@@H]1CCCN(C(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)[C@@H]1C[NH3+] ZINC000632961326 451670091 /nfs/dbraw/zinc/67/00/91/451670091.db2.gz RACRPJQPOFDFGH-CZUORRHYSA-N 2 0 334.468 1.741 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000632960690 451670376 /nfs/dbraw/zinc/67/03/76/451670376.db2.gz JJNYKPIIURLLMD-OKILXGFUSA-N 2 0 332.452 1.508 20 0 EDADRP CC(C)[C@@H]1C[NH2+]CCN1C(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000632961004 451670599 /nfs/dbraw/zinc/67/05/99/451670599.db2.gz MMNZOHRFBLWNCW-INIZCTEOSA-N 2 0 334.468 1.612 20 0 EDADRP CC[C@@H](C)[NH2+][C@@H](CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000637139398 451739395 /nfs/dbraw/zinc/73/93/95/451739395.db2.gz JYQAULOTGBSQBQ-KFWWJZLASA-N 2 0 338.452 1.075 20 0 EDADRP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)[C@H]1CCOC1 ZINC000638977017 451744215 /nfs/dbraw/zinc/74/42/15/451744215.db2.gz NVSGXLFPEVYVDF-IPMKNSEASA-N 2 0 334.460 1.394 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)[C@H]3[NH2+]CCc4ccccc43)cn2)CC1 ZINC000638977320 451744238 /nfs/dbraw/zinc/74/42/38/451744238.db2.gz KQICVWXNJBAICD-SFHVURJKSA-N 2 0 339.443 1.975 20 0 EDADRP O=C(COCCc1ccccc1)Nc1cc(N2CC[NH2+]CC2)cc[nH+]1 ZINC000638988047 451747859 /nfs/dbraw/zinc/74/78/59/451747859.db2.gz RHSGCDGZWILRLY-UHFFFAOYSA-N 2 0 340.427 1.689 20 0 EDADRP [NH3+]C[C@H]1CCN(C(=O)c2cnn([C@@H]3CCC[NH2+]C3)c2)c2ccccc21 ZINC000639064140 451760525 /nfs/dbraw/zinc/76/05/25/451760525.db2.gz KWJQMPJPGQVMTJ-GDBMZVCRSA-N 2 0 339.443 1.900 20 0 EDADRP O=C(NCc1ccc2c(c1)C[NH2+]C2)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000641173829 451769265 /nfs/dbraw/zinc/76/92/65/451769265.db2.gz DFHHQSPDXWNPGS-SFHVURJKSA-N 2 0 328.460 1.963 20 0 EDADRP [NH3+][C@H](CO)Cc1cn(Cc2ccc(C[NH+]3CCCCC3)cc2)nn1 ZINC000641179550 451770794 /nfs/dbraw/zinc/77/07/94/451770794.db2.gz OQWNCNWXPULQBY-KRWDZBQOSA-N 2 0 329.448 1.174 20 0 EDADRP [NH3+]CCCCc1cn(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000641228767 451790700 /nfs/dbraw/zinc/79/07/00/451790700.db2.gz DAOWWFAEIZANJN-SFHVURJKSA-N 2 0 329.448 1.197 20 0 EDADRP O[C@@]1(Cn2cc(C[NH2+]C3CC3)nn2)CC[N@H+](Cc2ccccc2)C1 ZINC000641229656 451791236 /nfs/dbraw/zinc/79/12/36/451791236.db2.gz LIVRHSIUHQDHKZ-SFHVURJKSA-N 2 0 327.432 1.167 20 0 EDADRP CO[C@]1(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CCOC1 ZINC000639267356 451801440 /nfs/dbraw/zinc/80/14/40/451801440.db2.gz YOGBRHFVLWJGNL-IBGZPJMESA-N 2 0 334.460 1.409 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)NC[C@H]2C[NH2+]CCCO2)C1 ZINC000642006589 451804593 /nfs/dbraw/zinc/80/45/93/451804593.db2.gz QQYNYSNSQVFRAZ-QZTJIDSGSA-N 2 0 346.475 1.281 20 0 EDADRP CO[C@@H]1CCC[C@@H]([C@@H](CO)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)C1 ZINC000639306655 451818008 /nfs/dbraw/zinc/81/80/08/451818008.db2.gz GJPSVYCTBRLJCW-DJIMGWMZSA-N 2 0 328.497 1.377 20 0 EDADRP CC[NH+]1CCN(CC(=O)NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000649102083 451846558 /nfs/dbraw/zinc/84/65/58/451846558.db2.gz UECMFBKDSKYBTJ-MOPGFXCFSA-N 2 0 344.503 1.086 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644561692 451862646 /nfs/dbraw/zinc/86/26/46/451862646.db2.gz FELZUFPLYUPULU-IEBWSBKVSA-N 2 0 347.503 1.493 20 0 EDADRP Cc1cccc(OC[C@H](O)C[NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000644561939 451863224 /nfs/dbraw/zinc/86/32/24/451863224.db2.gz JQLIIVFZILXCBW-IEBWSBKVSA-N 2 0 347.503 1.493 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@@H]2CC[NH+]2C2CCCC2)C[C@H](C)[N@H+]1CCO ZINC000637471526 451888881 /nfs/dbraw/zinc/88/88/81/451888881.db2.gz VEJJJJDKYPUIMG-UXLLHSPISA-N 2 0 338.496 1.100 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@H]1C[C@@H](OC)C[NH2+]1)[NH+]1CCCC1 ZINC000649278298 451948972 /nfs/dbraw/zinc/94/89/72/451948972.db2.gz ZTMIMGQFHXTIQR-OIISXLGYSA-N 2 0 347.459 1.325 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@@]1([NH3+])CCN(C(C)=O)C1)c1ccccc1 ZINC000649268488 451942132 /nfs/dbraw/zinc/94/21/32/451942132.db2.gz LJXKFUAEAXBOIQ-PKOBYXMFSA-N 2 0 346.475 1.135 20 0 EDADRP COCCC1(C(=O)NC[C@H](c2cccs2)[NH+](C)C)CC[NH2+]CC1 ZINC000649277550 451947383 /nfs/dbraw/zinc/94/73/83/451947383.db2.gz DCRSPGOKGIQLGW-CQSZACIVSA-N 2 0 339.505 1.873 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)NCC[NH+](C(C)C)C(C)C)cnn1C ZINC000649276769 451947815 /nfs/dbraw/zinc/94/78/15/451947815.db2.gz FNUDGAACFNGNFT-SJORKVTESA-N 2 0 335.496 1.267 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)COC1(C)C[NH2+]C1)c1ccsc1 ZINC000649292541 451967446 /nfs/dbraw/zinc/96/74/46/451967446.db2.gz OOGJNFSYAZEAJY-CQSZACIVSA-N 2 0 325.478 1.626 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@]1(N)CC[N@H+](C)C1)c1cccc(OC)c1 ZINC000649282869 451956490 /nfs/dbraw/zinc/95/64/90/451956490.db2.gz PFWZWTLCFDHRGL-IEBWSBKVSA-N 2 0 348.491 1.227 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2C[NH2+]CCOC2)cc1 ZINC000649288493 451961912 /nfs/dbraw/zinc/96/19/12/451961912.db2.gz VHVSVYUVEHWHRA-APWZRJJASA-N 2 0 345.487 1.913 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N(C)CC[NH+](C)C ZINC000637601670 451967108 /nfs/dbraw/zinc/96/71/08/451967108.db2.gz BOBFCSLLQVVMCK-SJLPKXTDSA-N 2 0 332.492 1.958 20 0 EDADRP CC[C@H](CNC(=O)[C@@H]1C[NH2+]CCOC1)[N@@H+]1CCc2ccccc2C1 ZINC000649292898 451969158 /nfs/dbraw/zinc/96/91/58/451969158.db2.gz KUNUDXWFPYBWEF-QZTJIDSGSA-N 2 0 331.460 1.176 20 0 EDADRP C[NH+](C)[C@@H](CNC(=O)[C@H]1C[NH2+]CCC1(F)F)c1ccc(F)cc1 ZINC000649293397 451969516 /nfs/dbraw/zinc/96/95/16/451969516.db2.gz RLOGXOSCDPQZPZ-KGLIPLIRSA-N 2 0 329.366 1.789 20 0 EDADRP [NH3+]C1CCC(C(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1 ZINC000649299481 451977003 /nfs/dbraw/zinc/97/70/03/451977003.db2.gz ZGNFTJLZIULMLR-UHFFFAOYSA-N 2 0 325.522 1.982 20 0 EDADRP CN1CCC([NH+]2CCC(NC(=O)c3cc(C(F)F)n[nH]3)CC2)CC1 ZINC000639624957 451981442 /nfs/dbraw/zinc/98/14/42/451981442.db2.gz MGYBMWAVCMEQIB-UHFFFAOYSA-N 2 0 341.406 1.636 20 0 EDADRP CCN(C(=O)[C@@H]1C[NH2+]CCOC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649305793 451981781 /nfs/dbraw/zinc/98/17/81/451981781.db2.gz BJVAPPWZALMPMK-QXAKKESOSA-N 2 0 345.487 1.906 20 0 EDADRP Cc1c([C@H]2C[NH2+]C[C@@H]2C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cnn1C ZINC000649306914 451982959 /nfs/dbraw/zinc/98/29/59/451982959.db2.gz ZBQAYFQYVZCUPM-NONVJHHQSA-N 2 0 347.507 1.268 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)c2cn([C@@H]3CC[NH2+]C3)nn2)C1 ZINC000649307548 451985060 /nfs/dbraw/zinc/98/50/60/451985060.db2.gz ZSBZEYORXAOGNU-QLFBSQMISA-N 2 0 348.495 1.299 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)[C@@]2(N)CC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000649329711 452009410 /nfs/dbraw/zinc/00/94/10/452009410.db2.gz CSOGZBPMYTWALB-IMFGXOCKSA-N 2 0 344.503 1.531 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)N3CC[C@@H]([NH+]4CCCC4)C3)cn2)CC1 ZINC000637670245 452011921 /nfs/dbraw/zinc/01/19/21/452011921.db2.gz WTECQTCDIVKMMJ-QGZVFWFLSA-N 2 0 346.479 1.852 20 0 EDADRP [NH3+][C@@H]1CCCCN(CC(=O)NCCCCC[NH+]2CCCCC2)C1=O ZINC000649332209 452012661 /nfs/dbraw/zinc/01/26/61/452012661.db2.gz GSQSLLSRSKZCJK-MRXNPFEDSA-N 2 0 338.496 1.099 20 0 EDADRP CCOCCCNC(=O)[C@@H](C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682038 452021314 /nfs/dbraw/zinc/02/13/14/452021314.db2.gz ITISIRWBQRNTMP-MRXNPFEDSA-N 2 0 334.464 1.525 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCC2(F)F)C1 ZINC000649342654 452022501 /nfs/dbraw/zinc/02/25/01/452022501.db2.gz HDOMSPGECIZNNJ-CVEARBPZSA-N 2 0 337.414 1.964 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCc2cccnc21 ZINC000644856030 452030286 /nfs/dbraw/zinc/03/02/86/452030286.db2.gz HEQCFMKZCMWKOD-QZTJIDSGSA-N 2 0 344.503 1.986 20 0 EDADRP CN1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2C[C@H]2C2CC[NH2+]CC2)CC1 ZINC000649351645 452034997 /nfs/dbraw/zinc/03/49/97/452034997.db2.gz FRDRVVHFFGEOFG-JKSUJKDBSA-N 2 0 343.475 1.408 20 0 EDADRP C[NH+](C)[C@@H]1CCc2cc(NC(=O)NC3CC[NH+](CCO)CC3)ccc21 ZINC000653617181 452043354 /nfs/dbraw/zinc/04/33/54/452043354.db2.gz AWVNDNZLILJXJS-GOSISDBHSA-N 2 0 346.475 1.814 20 0 EDADRP C[NH+]1CCN(Cc2ccc(-c3nc([C@H]4CCC[NH2+]4)no3)cc2)CC1 ZINC000647151447 452091803 /nfs/dbraw/zinc/09/18/03/452091803.db2.gz GGTWOYDDARZDSV-MRXNPFEDSA-N 2 0 327.432 1.909 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)Nc2ccc(N3CC[NH2+]CC3)cn2)c1 ZINC000637823142 452102474 /nfs/dbraw/zinc/10/24/74/452102474.db2.gz IPAOARLBJOTZGD-KRWDZBQOSA-N 2 0 341.415 1.138 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCCN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000639763452 452104083 /nfs/dbraw/zinc/10/40/83/452104083.db2.gz QSMIDBWCGGUKBH-PMACEKPBSA-N 2 0 347.503 1.012 20 0 EDADRP C[NH2+]C[C@H]1CCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)C1 ZINC000637836207 452108205 /nfs/dbraw/zinc/10/82/05/452108205.db2.gz WNAZGGJYQFLZDV-GOSISDBHSA-N 2 0 344.503 1.438 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)CO1 ZINC000647184399 452112342 /nfs/dbraw/zinc/11/23/42/452112342.db2.gz FAHWQWXYTDVWPY-CRAIPNDOSA-N 2 0 331.460 1.779 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000637846852 452113076 /nfs/dbraw/zinc/11/30/76/452113076.db2.gz YPSUHGXUUBIEIS-QZTJIDSGSA-N 2 0 332.492 1.470 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NCc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000637860009 452118617 /nfs/dbraw/zinc/11/86/17/452118617.db2.gz JKBHDTGKONXKBF-SCLBCKFNSA-N 2 0 327.428 1.901 20 0 EDADRP NS(=O)(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)c1 ZINC000647207013 452125234 /nfs/dbraw/zinc/12/52/34/452125234.db2.gz QTWPSSSEILSPTD-UHFFFAOYSA-N 2 0 341.452 1.437 20 0 EDADRP C[NH+](C)C1CCC(NC(=O)N2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000643387309 452170629 /nfs/dbraw/zinc/17/06/29/452170629.db2.gz IOCRPLMUDJDBOP-BACDZXNISA-N 2 0 338.496 1.100 20 0 EDADRP Nc1nc(N2CC[C@@H](OCC[NH+]3CCCCC3)C2)c2c([nH+]1)CCCC2 ZINC000645197107 452205922 /nfs/dbraw/zinc/20/59/22/452205922.db2.gz ZQTJEXAKCWOGAU-OAHLLOKOSA-N 2 0 345.491 2.019 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000645218714 452216082 /nfs/dbraw/zinc/21/60/82/452216082.db2.gz GMXCYKRWSZWPDI-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP O=c1[nH]c2ccc(C[NH2+]C3CC[NH+]([C@H]4CCC[C@@H]4O)CC3)cc2[nH]1 ZINC000641738193 452228068 /nfs/dbraw/zinc/22/80/68/452228068.db2.gz BOKCIANKWTVLGX-IRXDYDNUSA-N 2 0 330.432 1.736 20 0 EDADRP O=C([C@H]1CCC[N@H+](Cc2nccc3ccccc32)C1)N1CC[NH2+]CC1 ZINC000647486488 452231050 /nfs/dbraw/zinc/23/10/50/452231050.db2.gz ZRSDPRYVRBKUDN-KRWDZBQOSA-N 2 0 338.455 1.879 20 0 EDADRP Clc1ccc(OCC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)nc1 ZINC000643466983 452236027 /nfs/dbraw/zinc/23/60/27/452236027.db2.gz FHGLXMWBAREWMR-QLFBSQMISA-N 2 0 325.840 1.861 20 0 EDADRP C[N@H+](CCN1CC[NH2+]CC1)Cc1ccccc1OCc1ccccn1 ZINC000647492936 452236488 /nfs/dbraw/zinc/23/64/88/452236488.db2.gz JNBQHQMJQFOSIZ-UHFFFAOYSA-N 2 0 340.471 1.998 20 0 EDADRP C[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CN(C)CCO1 ZINC000643474919 452240814 /nfs/dbraw/zinc/24/08/14/452240814.db2.gz NOQWEEUTVHPPPF-RGIVZKHGSA-N 2 0 331.460 1.551 20 0 EDADRP CC[NH+](CC)CC[C@H](CO)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000641771249 452243898 /nfs/dbraw/zinc/24/38/98/452243898.db2.gz FGOOFLPCBZOTJB-QGZVFWFLSA-N 2 0 331.464 1.758 20 0 EDADRP O=C(NCC1(C[NH+]2CCOCC2)CCCCC1)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000655451700 452246224 /nfs/dbraw/zinc/24/62/24/452246224.db2.gz VGZMFGUTSPIULD-PXNSSMCTSA-N 2 0 349.519 1.775 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000654104754 452248034 /nfs/dbraw/zinc/24/80/34/452248034.db2.gz VLAKOVXJRRPGIY-GJZGRUSLSA-N 2 0 334.468 1.583 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)N3CC[N@@H+]4C[C@H](O)C[C@H]4C3)ccc21 ZINC000654106261 452250033 /nfs/dbraw/zinc/25/00/33/452250033.db2.gz CCMHSVCSQDFHHU-JZXOWHBKSA-N 2 0 344.459 1.518 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)NC2CC[NH+](Cc3ccccc3)CC2)CC[C@H]1F ZINC000659423878 452266505 /nfs/dbraw/zinc/26/65/05/452266505.db2.gz OORZFJACKYUPCW-IAGOWNOFSA-N 2 0 334.439 1.732 20 0 EDADRP O=C(NC[C@H](c1ccco1)[NH+]1CCCCC1)NCC12CC(C1)C[NH2+]2 ZINC000659426453 452269480 /nfs/dbraw/zinc/26/94/80/452269480.db2.gz WVXFSSMWXAHVLG-SWKXRBFHSA-N 2 0 332.448 1.858 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)CCC[NH2+]1 ZINC000641800310 452273927 /nfs/dbraw/zinc/27/39/27/452273927.db2.gz FNUQDUGLGJBJCY-JFIYKMOQSA-N 2 0 338.496 1.176 20 0 EDADRP CCc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)ncn1 ZINC000647550798 452277171 /nfs/dbraw/zinc/27/71/71/452277171.db2.gz HIBUPVBUSKMGCW-IIDMSEBBSA-N 2 0 329.492 1.986 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1NCC(=O)N1CCN(Cc2ccsc2)CC1 ZINC000641803577 452280593 /nfs/dbraw/zinc/28/05/93/452280593.db2.gz TWSPLLXHHVFNFO-GJZGRUSLSA-N 3 0 336.505 1.108 20 0 EDADRP C[C@H](Cn1cc(Br)ccc1=O)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000643522078 452289911 /nfs/dbraw/zinc/28/99/11/452289911.db2.gz HMOYAGMSZUQABU-YPMHNXCESA-N 2 0 328.254 1.731 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)C1=CC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000638051133 452323004 /nfs/dbraw/zinc/32/30/04/452323004.db2.gz XNXXLFNWQMRUGS-WBVHZDCISA-N 2 0 329.444 1.996 20 0 EDADRP COc1cccc([C@@H](CNC(=O)[C@]2(C)C[NH2+]CCO2)[NH+]2CCCC2)c1 ZINC000638051177 452324045 /nfs/dbraw/zinc/32/40/45/452324045.db2.gz CRFHYRRTEJSIOZ-MJGOQNOKSA-N 2 0 347.459 1.327 20 0 EDADRP [NH3+]C/C=C/CNC(=O)N1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000641867925 452332800 /nfs/dbraw/zinc/33/28/00/452332800.db2.gz XGSLFCANCCPQER-PXPVJAHISA-N 2 0 328.460 1.809 20 0 EDADRP COCC[NH2+]C1CCN(C(=O)N[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC000652164128 452359244 /nfs/dbraw/zinc/35/92/44/452359244.db2.gz FPTMCKLAOMHMEI-JKSUJKDBSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638069496 452374912 /nfs/dbraw/zinc/37/49/12/452374912.db2.gz KRGJWBNWGVTUME-FUHWJXTLSA-N 2 0 332.492 1.436 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000659514790 452377939 /nfs/dbraw/zinc/37/79/39/452377939.db2.gz DBEATGIEDIGQDC-XIRDDKMYSA-N 2 0 332.448 1.192 20 0 EDADRP CCO[C@@H]1CN(C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C[NH3+] ZINC000652191368 452390111 /nfs/dbraw/zinc/39/01/11/452390111.db2.gz SHDJQNGEHYTGMJ-DZOHQFGASA-N 2 0 348.491 1.683 20 0 EDADRP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)NC/C=C/C[NH3+])cc1 ZINC000659545040 452403666 /nfs/dbraw/zinc/40/36/66/452403666.db2.gz ZNIYLOPWESCVKG-RYTMFUSVSA-N 2 0 332.448 1.345 20 0 EDADRP C[C@@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H](C)[NH3+] ZINC000659551580 452407991 /nfs/dbraw/zinc/40/79/91/452407991.db2.gz VIXVSJXNGRVCGU-PETRGTFGSA-N 2 0 326.391 1.445 20 0 EDADRP C[N@@H+]1CC[C@@]2(CCN(C(=O)N[C@@H]3C[NH2+]CC[C@@H]3c3ccccc3)C2)C1 ZINC000659575801 452430213 /nfs/dbraw/zinc/43/02/13/452430213.db2.gz BACXRLVWEYTSMQ-QWFCFKBJSA-N 2 0 342.487 1.869 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC[C@H]1F ZINC000659580718 452435180 /nfs/dbraw/zinc/43/51/80/452435180.db2.gz DATCXKGVWJLHJC-KLHDSHLOSA-N 2 0 338.402 1.352 20 0 EDADRP CCCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)C1CC[NH2+]CC1 ZINC000659608507 452464080 /nfs/dbraw/zinc/46/40/80/452464080.db2.gz OLTQNEGTOGLKJC-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)N2CC[C@H](C[NH+]3CCCC3)C2)c(F)c1 ZINC000652277578 452465114 /nfs/dbraw/zinc/46/51/14/452465114.db2.gz LYDAHKLCLMYECO-OAHLLOKOSA-N 2 0 334.439 1.912 20 0 EDADRP CC(=O)c1nc(NC(=O)NCCN(C)CCC[NH+](C)C)sc1C ZINC000640200323 452504293 /nfs/dbraw/zinc/50/42/93/452504293.db2.gz MMRMNIPILXBUPE-UHFFFAOYSA-N 2 0 341.481 1.659 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000659641425 452505510 /nfs/dbraw/zinc/50/55/10/452505510.db2.gz OQZDRACOKTVPCL-HDICACEKSA-N 2 0 334.508 1.749 20 0 EDADRP COc1ccc(C2CC[NH+](CCC(=O)N3CC[NH2+]CC3)CC2)nc1 ZINC000652344437 452517927 /nfs/dbraw/zinc/51/79/27/452517927.db2.gz FKVZZWWPWLCMJF-UHFFFAOYSA-N 2 0 332.448 1.092 20 0 EDADRP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347266 452522397 /nfs/dbraw/zinc/52/23/97/452522397.db2.gz XFIZOLKFJLSLHY-QAETUUGQSA-N 2 0 325.497 1.900 20 0 EDADRP CCCCOCCNC(=O)C[N@@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652347661 452523795 /nfs/dbraw/zinc/52/37/95/452523795.db2.gz IDTBGKZBIQWLHV-ULQDDVLXSA-N 2 0 341.496 1.138 20 0 EDADRP COCCNC(=O)[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647794270 452526148 /nfs/dbraw/zinc/52/61/48/452526148.db2.gz WLBGJOOCXOMDKF-OKYOBFRVSA-N 2 0 345.487 1.338 20 0 EDADRP COc1ccccc1N1CC[C@H]([N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352151 452529262 /nfs/dbraw/zinc/52/92/62/452529262.db2.gz LWYQHARPZAYNIM-QOKNQOGYSA-N 2 0 329.444 1.861 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCCC[C@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363569 452544336 /nfs/dbraw/zinc/54/43/36/452544336.db2.gz IFBPJFGDEJVHNR-DEPCRRQNSA-N 3 0 347.503 1.278 20 0 EDADRP [NH3+]C1(CNC(=O)C(=O)NCCCCC[NH+]2CCCCC2)CCCC1 ZINC000659679514 452550988 /nfs/dbraw/zinc/55/09/88/452550988.db2.gz YWJDGOOBORWTBV-UHFFFAOYSA-N 2 0 338.496 1.147 20 0 EDADRP CCN1CCN(C(=O)[C@H](C)[NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000661779890 452574037 /nfs/dbraw/zinc/57/40/37/452574037.db2.gz OFTIUNKUUFHPSV-RYQLBKOJSA-N 2 0 347.507 1.274 20 0 EDADRP CC(C)CNC(=O)c1cccc(C[N@H+](C)CCN2CC[NH2+]CC2)c1 ZINC000647835601 452574328 /nfs/dbraw/zinc/57/43/28/452574328.db2.gz DTJGKXKAXRAHAM-UHFFFAOYSA-N 2 0 332.492 1.409 20 0 EDADRP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000657891922 452596505 /nfs/dbraw/zinc/59/65/05/452596505.db2.gz QCPVVIMTCOVOKZ-PKOBYXMFSA-N 2 0 340.508 1.909 20 0 EDADRP O=C(NCC[NH+]1CCC1)NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000666151579 452644360 /nfs/dbraw/zinc/64/43/60/452644360.db2.gz NNYLWJPXLJNIMO-UHFFFAOYSA-N 2 0 331.464 1.299 20 0 EDADRP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000657976487 452653872 /nfs/dbraw/zinc/65/38/72/452653872.db2.gz NPQBKANSSGGIED-AEFFLSMTSA-N 2 0 327.513 1.434 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)c2ccn(CC[NH+](C)C)n2)([NH+](C)C)C1 ZINC000654573825 452657291 /nfs/dbraw/zinc/65/72/91/452657291.db2.gz PIFLDGJRULTLPF-MAUKXSAKSA-N 2 0 335.496 1.685 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)N[C@@H](C[NH3+])C(F)(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000655927284 452694845 /nfs/dbraw/zinc/69/48/45/452694845.db2.gz HAMPLORDNZCHDG-XBFCOCLRSA-N 2 0 344.381 1.838 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000654621688 452704681 /nfs/dbraw/zinc/70/46/81/452704681.db2.gz HXRRIVYRFXLGJM-IRXDYDNUSA-N 2 0 340.512 1.469 20 0 EDADRP CCC[N@@H+]1CC[C@@H](NC(=O)N2CC[C@@H](OCC[NH+](CC)CC)C2)C1 ZINC000661953138 452714751 /nfs/dbraw/zinc/71/47/51/452714751.db2.gz MGJCHECHZGVHNL-IAGOWNOFSA-N 2 0 340.512 1.613 20 0 EDADRP O=c1n2ccccc2nn1CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978591 452722598 /nfs/dbraw/zinc/72/25/98/452722598.db2.gz VFQSNEZHADQDSG-JKSUJKDBSA-N 2 0 329.448 1.208 20 0 EDADRP c1ccc(-n2nnnc2CC[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977636 452724259 /nfs/dbraw/zinc/72/42/59/452724259.db2.gz FNYWVXKSJIXVSR-SJORKVTESA-N 2 0 340.475 1.916 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1CNC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000664076816 452771935 /nfs/dbraw/zinc/77/19/35/452771935.db2.gz KZEPPGHDFFCEMC-IRXDYDNUSA-N 2 0 341.544 1.432 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)NC[C@H]2C[C@@H]([NH+](C)C)C2)C1 ZINC000654660148 452775241 /nfs/dbraw/zinc/77/52/41/452775241.db2.gz SLZQYCQIMOTPTC-BBWFWOEESA-N 2 0 340.512 1.469 20 0 EDADRP CN(CCC[NH+](C)C)CCNC(=O)NC[C@@H]1OCCc2ccccc21 ZINC000664104103 452792446 /nfs/dbraw/zinc/79/24/46/452792446.db2.gz VWPZZUUXYOKSRN-SFHVURJKSA-N 2 0 348.491 1.483 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)cc2)[nH]1 ZINC000648125241 452840707 /nfs/dbraw/zinc/84/07/07/452840707.db2.gz LDFIDKCYTJSRNP-LLVKDONJSA-N 2 0 336.346 1.114 20 0 EDADRP C[NH+](C)CCN(Cc1ccccn1)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000648153131 452865388 /nfs/dbraw/zinc/86/53/88/452865388.db2.gz MDOBQARWFKSXMR-AWEZNQCLSA-N 2 0 326.391 1.217 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)[C@H]2C[NH2+]Cc3ccccc32)CC1 ZINC000645884767 452877415 /nfs/dbraw/zinc/87/74/15/452877415.db2.gz QFRRUPRDVQBTJE-SFHVURJKSA-N 2 0 331.460 1.491 20 0 EDADRP CNC(=O)NC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000666467272 452891142 /nfs/dbraw/zinc/89/11/42/452891142.db2.gz WCKDAIZFCDEXOZ-UHFFFAOYSA-N 2 0 334.464 1.520 20 0 EDADRP COc1cc2[nH+]ccc(NCCN(C)CCC[NH+](C)C)c2cc1OC ZINC000664244013 452921826 /nfs/dbraw/zinc/92/18/26/452921826.db2.gz DHUMIGAPPMWTPV-UHFFFAOYSA-N 2 0 346.475 1.969 20 0 EDADRP CC(C)C[C@H](CNC(=O)[C@H]1C[NH2+]CCO1)[NH2+][C@H](C)c1ccccc1 ZINC000645964459 452948937 /nfs/dbraw/zinc/94/89/37/452948937.db2.gz VNUNJYJCCWHKQW-KBAYOESNSA-N 2 0 333.476 1.857 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[NH2+]CC[C@H]2CCc3ccccc3N2)C1 ZINC000650720958 452950200 /nfs/dbraw/zinc/95/02/00/452950200.db2.gz JPLYXKFWYWNWRE-NVXWUHKLSA-N 2 0 330.476 1.590 20 0 EDADRP C[NH+]1CCC(N2CC[C@H](NC(=O)c3ccc4c(c3)C[NH2+]C4)C2)CC1 ZINC000645978162 452966169 /nfs/dbraw/zinc/96/61/69/452966169.db2.gz VTQWLEATRMKBNT-KRWDZBQOSA-N 2 0 328.460 1.188 20 0 EDADRP COCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662253600 452980122 /nfs/dbraw/zinc/98/01/22/452980122.db2.gz VACRTSZAIAFGTK-MAUKXSAKSA-N 2 0 345.487 1.695 20 0 EDADRP Cc1cc(N2CC[C@@H]([N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)C2=O)n(C)n1 ZINC000662293549 453015914 /nfs/dbraw/zinc/01/59/14/453015914.db2.gz LWFGXAIOBRBQOQ-DLBZAZTESA-N 2 0 345.491 1.545 20 0 EDADRP Cn1ccc(N2CCC[C@@H]([N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)C2=O)n1 ZINC000662293140 453015942 /nfs/dbraw/zinc/01/59/42/453015942.db2.gz JZZUVDWJGRVAKT-IAGOWNOFSA-N 2 0 345.491 1.627 20 0 EDADRP CC1CC[NH+](CCCNC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662355489 453070350 /nfs/dbraw/zinc/07/03/50/453070350.db2.gz GUEFLVLUHQUDQW-UHFFFAOYSA-N 2 0 334.468 1.054 20 0 EDADRP CO[C@H](C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)[C@@H]1CCOC1 ZINC000660141071 453072162 /nfs/dbraw/zinc/07/21/62/453072162.db2.gz QZLYLSRHFMXROV-KBAYOESNSA-N 2 0 325.497 1.138 20 0 EDADRP O=C(c1cccn1C1CC[NH2+]CC1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000646061146 453075247 /nfs/dbraw/zinc/07/52/47/453075247.db2.gz JJFJWQSROYXODV-MRXNPFEDSA-N 2 0 330.476 1.971 20 0 EDADRP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCCN3CC[NH2+]CC3)cc21 ZINC000662390408 453099918 /nfs/dbraw/zinc/09/99/18/453099918.db2.gz JSEUZFOHJBSERW-KRWDZBQOSA-N 2 0 330.476 1.090 20 0 EDADRP COc1ccc(NC(=O)CC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646106089 453109011 /nfs/dbraw/zinc/10/90/11/453109011.db2.gz JGMBGHJRGSQCGV-UHFFFAOYSA-N 2 0 347.459 1.820 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)N[C@@H](C)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC000666754706 453118359 /nfs/dbraw/zinc/11/83/59/453118359.db2.gz RVBTUGFTYHGYHD-ULQDDVLXSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000662416379 453125099 /nfs/dbraw/zinc/12/50/99/453125099.db2.gz CKGBTTHAQJYONG-NVXWUHKLSA-N 2 0 341.459 1.828 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)c2cnnn2C2CC[NH2+]CC2)CC1 ZINC000662418423 453126969 /nfs/dbraw/zinc/12/69/69/453126969.db2.gz PVMQMHBTZMMVBG-UHFFFAOYSA-N 2 0 334.468 1.197 20 0 EDADRP O=C(NCC[NH2+]C1CCCCCC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662420467 453129266 /nfs/dbraw/zinc/12/92/66/453129266.db2.gz AONKTUGIUCXXGO-UHFFFAOYSA-N 2 0 334.468 1.245 20 0 EDADRP CN1CCN(C(=O)Nc2cccc(OC[C@@H]3CCCO3)c2)[C@H](C[NH3+])C1 ZINC000666778824 453141408 /nfs/dbraw/zinc/14/14/08/453141408.db2.gz FXAPYOJEEOWKPU-WBVHZDCISA-N 2 0 348.447 1.351 20 0 EDADRP CC(C)[N@H+](C)C[C@@H](O)CN[C@@H](CO)c1ccc(Br)cc1 ZINC000660237424 453148393 /nfs/dbraw/zinc/14/83/93/453148393.db2.gz CJBCCDQVWUPZHW-GJZGRUSLSA-N 2 0 345.281 1.773 20 0 EDADRP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662450134 453157221 /nfs/dbraw/zinc/15/72/21/453157221.db2.gz HJYDHWAHVAPCAV-OKILXGFUSA-N 2 0 334.468 1.195 20 0 EDADRP CN(CC[NH+]1CCCCC1)C(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000652991053 453178686 /nfs/dbraw/zinc/17/86/86/453178686.db2.gz ODROEPJYRMNZCL-UHFFFAOYSA-N 2 0 334.464 1.580 20 0 EDADRP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cnnn2C2CC[NH2+]CC2)C1 ZINC000662482093 453196643 /nfs/dbraw/zinc/19/66/43/453196643.db2.gz SPBWSYKYIORLPN-CQSZACIVSA-N 2 0 334.468 1.007 20 0 EDADRP [NH3+]C[C@@H](O)CCc1cn(C[C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000656468336 453204516 /nfs/dbraw/zinc/20/45/16/453204516.db2.gz LGDVIALVGKUMNG-AEFFLSMTSA-N 2 0 329.448 1.052 20 0 EDADRP Cc1ccc(CCC[NH2+]CC(=O)NCC[NH+]2CCCCCC2)cn1 ZINC000646215625 453226769 /nfs/dbraw/zinc/22/67/69/453226769.db2.gz GXPQFBGAGFFRNY-UHFFFAOYSA-N 2 0 332.492 1.904 20 0 EDADRP C[N@H+](CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000662525558 453244718 /nfs/dbraw/zinc/24/47/18/453244718.db2.gz IGFPXAHBFMZBLR-AWEZNQCLSA-N 2 0 333.480 1.871 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)c2cccc3c2C[NH2+]C3)CC1 ZINC000662527610 453249363 /nfs/dbraw/zinc/24/93/63/453249363.db2.gz WTUHCLOYXBLALH-UHFFFAOYSA-N 2 0 330.476 1.293 20 0 EDADRP COC1CC[NH+](C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CCCC2)CC1 ZINC000648775802 453256301 /nfs/dbraw/zinc/25/63/01/453256301.db2.gz ZAEHTVPMNUTYRC-NVXWUHKLSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H](CCN1C(=O)c2ccccc2C1=O)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666954585 453278298 /nfs/dbraw/zinc/27/82/98/453278298.db2.gz YKTZLTNOOLZTCR-BBRMVZONSA-N 2 0 327.428 1.793 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NC2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000666974260 453290342 /nfs/dbraw/zinc/29/03/42/453290342.db2.gz MGGTZUIDZUILBF-DOTOQJQBSA-N 2 0 338.496 1.223 20 0 EDADRP CCN(C(=O)NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CC[N@H+](CC)C1 ZINC000666978709 453299131 /nfs/dbraw/zinc/29/91/31/453299131.db2.gz BYYHMCVQRCWZDC-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP O=C(c1cnn([C@H]2CCC[NH2+]C2)c1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662587623 453314464 /nfs/dbraw/zinc/31/44/64/453314464.db2.gz IUYDCOUMBPDKKB-WMZOPIPTSA-N 2 0 345.491 1.659 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000646319574 453315230 /nfs/dbraw/zinc/31/52/30/453315230.db2.gz LMKPDRJOSAHQBB-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP O=C(NC1CC[NH+](Cc2ccccn2)CC1)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000653124189 453317901 /nfs/dbraw/zinc/31/79/01/453317901.db2.gz SYWMXPMZZCOUJS-QZTJIDSGSA-N 2 0 328.460 1.693 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000653175949 453366282 /nfs/dbraw/zinc/36/62/82/453366282.db2.gz GUGRLKRLPBUVEG-RLFYNMQTSA-N 2 0 325.497 1.613 20 0 EDADRP [NH3+]CCc1ccccc1C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653182107 453371208 /nfs/dbraw/zinc/37/12/08/453371208.db2.gz NRLXJHVQWFAJKA-JZXOWHBKSA-N 2 0 331.460 1.546 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)C(=O)N1CCC[C@@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000653192208 453381552 /nfs/dbraw/zinc/38/15/52/453381552.db2.gz ITRCBHQWEPOMQI-ZJPYXAASSA-N 2 0 331.460 1.301 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000667067811 453383100 /nfs/dbraw/zinc/38/31/00/453383100.db2.gz WQHXZPRPGNKEMY-INIZCTEOSA-N 2 0 344.459 1.261 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000658779736 453385730 /nfs/dbraw/zinc/38/57/30/453385730.db2.gz SXLXPDVAMHDRQI-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP Cn1ncc(C2CC2)c1CNC[C@@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000656711065 453386491 /nfs/dbraw/zinc/38/64/91/453386491.db2.gz POOPJVYYFCORON-GOSISDBHSA-N 2 0 340.471 1.806 20 0 EDADRP C[C@@H]1CN(C(=O)CCOC2C[NH2+]C2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000653201929 453394599 /nfs/dbraw/zinc/39/45/99/453394599.db2.gz BLLFPTDQNRBQBZ-IXDOHACOSA-N 2 0 345.487 1.875 20 0 EDADRP C[C@@H]1CCC[N@H+](CCNC(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)C1 ZINC000662681008 453402316 /nfs/dbraw/zinc/40/23/16/453402316.db2.gz RNNARXSLWUGJFN-HUUCEWRRSA-N 2 0 334.468 1.054 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)[C@]2(c3ccccc3)CC[NH2+]C2)c(F)c1 ZINC000653223598 453411581 /nfs/dbraw/zinc/41/15/81/453411581.db2.gz SZNFPMKDKMCDPT-LJQANCHMSA-N 2 0 327.403 1.832 20 0 EDADRP O=C(c1cn([C@@H]2CCC[NH2+]CC2)nn1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000662694240 453414272 /nfs/dbraw/zinc/41/42/72/453414272.db2.gz ZAZYLLBXIATRHI-CVEARBPZSA-N 2 0 346.479 1.293 20 0 EDADRP O=C(C[C@@H]1CCC[NH2+]1)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000662694720 453415744 /nfs/dbraw/zinc/41/57/44/453415744.db2.gz BNEPWRALLMINIY-KRWDZBQOSA-N 2 0 342.487 1.600 20 0 EDADRP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000662694865 453415866 /nfs/dbraw/zinc/41/58/66/453415866.db2.gz UTTAFGPCQJZENR-AWEZNQCLSA-N 2 0 334.468 1.053 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)[C@@H]3[NH2+]CCC3(C)C)ccc2oc1=O ZINC000662700771 453422209 /nfs/dbraw/zinc/42/22/09/453422209.db2.gz KNVQPXLZPPLZRX-HNNXBMFYSA-N 2 0 346.431 1.483 20 0 EDADRP c1c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nnn1Cc1cccnc1 ZINC000656782972 453444802 /nfs/dbraw/zinc/44/48/02/453444802.db2.gz KLLCYJMXJVSQHB-SFHVURJKSA-N 2 0 340.475 1.933 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662730028 453457435 /nfs/dbraw/zinc/45/74/35/453457435.db2.gz YZMCWMHYSBVRFU-RCCFBDPRSA-N 2 0 331.460 1.331 20 0 EDADRP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662730027 453457665 /nfs/dbraw/zinc/45/76/65/453457665.db2.gz YZMCWMHYSBVRFU-OKZBNKHCSA-N 2 0 331.460 1.331 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cc(C3CC[NH2+]CC3)no2)[C@@H](C)C1 ZINC000662743863 453470498 /nfs/dbraw/zinc/47/04/98/453470498.db2.gz ABUNHHNXPFKDDO-BBRMVZONSA-N 2 0 334.464 1.944 20 0 EDADRP C[NH+]1CCN(c2ncccc2CNC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662757182 453493212 /nfs/dbraw/zinc/49/32/12/453493212.db2.gz LISZIJLRPMABAQ-UHFFFAOYSA-N 2 0 343.475 1.124 20 0 EDADRP [NH3+][C@@H]1CCc2ncc(NC(=O)[C@@]3(C(F)(F)F)CC[NH2+]C3)cc2C1 ZINC000662763570 453501492 /nfs/dbraw/zinc/50/14/92/453501492.db2.gz GNKCPLMEUIJESQ-QMTHXVAHSA-N 2 0 328.338 1.378 20 0 EDADRP O=C(c1cn([C@H]2CCC[NH2+]CC2)nn1)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000662779619 453515357 /nfs/dbraw/zinc/51/53/57/453515357.db2.gz LATVMVFTTDIMED-HOTGVXAUSA-N 2 0 346.479 1.054 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC[N@@H+]1Cc1ccccc1 ZINC000662798949 453533213 /nfs/dbraw/zinc/53/32/13/453533213.db2.gz HPDHUWZNEUOGOU-KZNAEPCWSA-N 2 0 331.460 1.473 20 0 EDADRP Cc1cc(NC(=O)[C@H]2C[C@]23CCC[NH2+]C3)n(C2CC[NH+](C)CC2)n1 ZINC000655449424 453536348 /nfs/dbraw/zinc/53/63/48/453536348.db2.gz WWFCSVBQEPTPOC-QAPCUYQASA-N 2 0 331.464 1.786 20 0 EDADRP C[NH+](C)C1(CNC(=O)[C@H]2C[C@]23CCC[NH2+]C3)Cc2ccccc2C1 ZINC000655448963 453537132 /nfs/dbraw/zinc/53/71/32/453537132.db2.gz CQXDDXNUFKQQNP-MJGOQNOKSA-N 2 0 327.472 1.592 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CC[NH2+]C[C@H]1c1ccccc1 ZINC000662814448 453546602 /nfs/dbraw/zinc/54/66/02/453546602.db2.gz PJCYNIPMHBBNBZ-KRWDZBQOSA-N 2 0 340.427 1.928 20 0 EDADRP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCCN2C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662831905 453558795 /nfs/dbraw/zinc/55/87/95/453558795.db2.gz SPOZIGCLRXGDOH-ZTFGCOKTSA-N 2 0 329.444 1.791 20 0 EDADRP C[N@@H+]1CC[C@@H]2CCN(C(=O)NC[C@H]3CC[NH+]3Cc3ccccc3)[C@H]2C1 ZINC000667328042 453560712 /nfs/dbraw/zinc/56/07/12/453560712.db2.gz CJQZUNYTJXFTPY-QRVBRYPASA-N 2 0 342.487 1.997 20 0 EDADRP Cc1cc(=O)[nH]c(C(C)(C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)n1 ZINC000660751071 453561454 /nfs/dbraw/zinc/56/14/54/453561454.db2.gz IGDJDOSPYLCBKX-UHFFFAOYSA-N 2 0 335.496 1.731 20 0 EDADRP O=C(N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662865785 453578200 /nfs/dbraw/zinc/57/82/00/453578200.db2.gz JDZIJMDTHKAACK-URLYELCFSA-N 2 0 335.398 1.526 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)NCC[C@H]2CCC[N@H+](C)C2)CCO1 ZINC000665119888 453582532 /nfs/dbraw/zinc/58/25/32/453582532.db2.gz PMPICKFCOWWBMY-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP C[N@H+](CCc1ccccc1)[C@@H]1CCN(C(=O)COC2(C)C[NH2+]C2)C1 ZINC000662872082 453583059 /nfs/dbraw/zinc/58/30/59/453583059.db2.gz JUVUOFOEKMYJDQ-QGZVFWFLSA-N 2 0 331.460 1.140 20 0 EDADRP CN(C(=O)C[C@@H]([NH3+])c1ccccc1)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000662899873 453593890 /nfs/dbraw/zinc/59/38/90/453593890.db2.gz HJMCPVLGCGUXQZ-RBUKOAKNSA-N 2 0 344.503 1.703 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000660854577 453612243 /nfs/dbraw/zinc/61/22/43/453612243.db2.gz ZIFYMDSOSSNYPD-SJORKVTESA-N 2 0 339.528 1.042 20 0 EDADRP [NH3+][C@H]1CCC[C@H]([NH2+]CCNC(=O)c2ccc(Br)cn2)C1 ZINC000665236127 453618557 /nfs/dbraw/zinc/61/85/57/453618557.db2.gz HZYXRKALPUXGDI-RYUDHWBXSA-N 2 0 341.253 1.433 20 0 EDADRP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNC(=O)c1ccc(Br)cn1 ZINC000665236411 453619092 /nfs/dbraw/zinc/61/90/92/453619092.db2.gz LZCUQVYRLIMKIN-WDEREUQCSA-N 2 0 327.226 1.043 20 0 EDADRP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cnccc1N ZINC000665240317 453620109 /nfs/dbraw/zinc/62/01/09/453620109.db2.gz IBNLBZMRBRKUHD-WMLDXEAASA-N 2 0 326.444 1.912 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)NC[C@H]2CC[N@@H+](C(C)(C)C)C2)c1 ZINC000659091525 453625340 /nfs/dbraw/zinc/62/53/40/453625340.db2.gz ONXFJVREOJWEKE-OAHLLOKOSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659096825 453629237 /nfs/dbraw/zinc/62/92/37/453629237.db2.gz WTKFQPMATPQOSX-CQSZACIVSA-N 2 0 332.448 1.334 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000662972940 453630940 /nfs/dbraw/zinc/63/09/40/453630940.db2.gz UKPFZEGBKBXPHI-HNNXBMFYSA-N 2 0 333.398 1.767 20 0 EDADRP C[NH2+]CCc1ccccc1C(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662973889 453631800 /nfs/dbraw/zinc/63/18/00/453631800.db2.gz XZAQUVXCUONCFG-QGZVFWFLSA-N 2 0 333.476 1.631 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NC[C@@H]1CCC[NH+](CC2CC2)C1 ZINC000660885954 453632472 /nfs/dbraw/zinc/63/24/72/453632472.db2.gz BPQVGYVGEWTQRI-HFTRVMKXSA-N 2 0 334.508 1.890 20 0 EDADRP C[C@H]1[NH2+]CC[C@@H]1C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374380 453731710 /nfs/dbraw/zinc/73/17/10/453731710.db2.gz JYUQIQJEDPRVJY-AEFFLSMTSA-N 2 0 342.487 1.455 20 0 EDADRP C[NH2+]C[C@@H](C)C(=O)NC1(C[NH+]2CCN(c3ccccc3)CC2)CC1 ZINC000659374885 453732328 /nfs/dbraw/zinc/73/23/28/453732328.db2.gz ZVZNTKKQVTXFKV-MRXNPFEDSA-N 2 0 330.476 1.313 20 0 EDADRP C[C@@H]1CN(CCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C[C@H](C)O1 ZINC000657297295 453759707 /nfs/dbraw/zinc/75/97/07/453759707.db2.gz HFHYSLDJULKRPH-IYBDPMFKSA-N 2 0 329.448 1.856 20 0 EDADRP C[NH+]1CCN(c2ccc(C[NH2+]Cc3ccnn3CC3CC3)cn2)CC1 ZINC000657301501 453760397 /nfs/dbraw/zinc/76/03/97/453760397.db2.gz BEGQAHBOGWOKNN-UHFFFAOYSA-N 2 0 340.475 1.730 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657307686 453762474 /nfs/dbraw/zinc/76/24/74/453762474.db2.gz GUMIKPZHBPIXJG-HXUWFJFHSA-N 2 0 347.503 1.972 20 0 EDADRP O=C(NCC[N@@H+]1CCCOCC1)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000661236376 453769878 /nfs/dbraw/zinc/76/98/78/453769878.db2.gz VFAJOXAQDAQIKE-INIZCTEOSA-N 2 0 338.496 1.415 20 0 EDADRP C[C@H](C[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)CN1CC[NH+](C)CC1 ZINC000657347348 453770987 /nfs/dbraw/zinc/77/09/87/453770987.db2.gz XRTKXMHTVDWIAV-YLJYHZDGSA-N 2 0 347.503 1.827 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657350676 453772440 /nfs/dbraw/zinc/77/24/40/453772440.db2.gz WZWDKPIFUZCDKB-HXUWFJFHSA-N 2 0 347.503 1.972 20 0 EDADRP COC[C@@H](C)Oc1ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc1 ZINC000657353119 453773473 /nfs/dbraw/zinc/77/34/73/453773473.db2.gz FGKDWLUSANFTND-DLBZAZTESA-N 2 0 335.492 1.826 20 0 EDADRP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCC(=O)N(C)c2ccccc2)CC1 ZINC000663359007 453777799 /nfs/dbraw/zinc/77/77/99/453777799.db2.gz BTDNFSAXXAUEMS-GOSISDBHSA-N 2 0 346.519 1.903 20 0 EDADRP CC(C)[C@H](C[NH2+]CCC(=O)N(C)c1ccccc1)N1CC[NH+](C)CC1 ZINC000663359457 453778260 /nfs/dbraw/zinc/77/82/60/453778260.db2.gz HBMSNPNEKIDBPX-IBGZPJMESA-N 2 0 346.519 1.901 20 0 EDADRP CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657395051 453780355 /nfs/dbraw/zinc/78/03/55/453780355.db2.gz QBHUQDUITOQGDG-CZUORRHYSA-N 2 0 349.460 1.075 20 0 EDADRP CC[NH+]1CCN(c2cncc(N3CC[N@@H+](CC)[C@@H](C)C3)n2)C[C@@H]1C ZINC000672243127 486672790 /nfs/dbraw/zinc/67/27/90/486672790.db2.gz QIQGEJCAJNCDEK-HOTGVXAUSA-N 2 0 332.496 1.537 20 0 EDADRP [NH3+]Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)o1 ZINC000189024774 486710792 /nfs/dbraw/zinc/71/07/92/486710792.db2.gz BVAGPDZJZFGVBZ-IUODEOHRSA-N 2 0 335.354 1.892 20 0 EDADRP COc1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc(Cl)c1OCC(N)=O ZINC000414921765 486734226 /nfs/dbraw/zinc/73/42/26/486734226.db2.gz FUEBQTKDAHGWGQ-NEPJUHHUSA-N 2 0 341.839 1.572 20 0 EDADRP Cn1cc(CCC[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)cn1 ZINC000680431971 486774303 /nfs/dbraw/zinc/77/43/03/486774303.db2.gz BKEDEKIHJWYUIV-UHFFFAOYSA-N 2 0 333.524 1.702 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000676699805 486846332 /nfs/dbraw/zinc/84/63/32/486846332.db2.gz FLSPQLYRNLVTPY-MSOLQXFVSA-N 2 0 335.492 1.763 20 0 EDADRP c1cc(N2CCN(CCC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc[nH+]1 ZINC000667822598 486982937 /nfs/dbraw/zinc/98/29/37/486982937.db2.gz NZQWCQHWKNTTQP-HKUYNNGSSA-N 2 0 330.476 1.751 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1)c1ccccc1 ZINC000321438307 486992938 /nfs/dbraw/zinc/99/29/38/486992938.db2.gz MHXVRUHTEKOABQ-UKRRQHHQSA-N 2 0 329.366 1.948 20 0 EDADRP CC[N@@H+]1CCN(C(=O)Nc2cc(C(N)=O)ccc2C[NH+](C)C)C[C@@H]1C ZINC000677202607 487008075 /nfs/dbraw/zinc/00/80/75/487008075.db2.gz LNPPPZAZFNDANA-ZDUSSCGKSA-N 2 0 347.463 1.405 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000677375821 487059609 /nfs/dbraw/zinc/05/96/09/487059609.db2.gz LYVBCZLNBOHNTF-MRXNPFEDSA-N 2 0 348.495 1.640 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000677375820 487059733 /nfs/dbraw/zinc/05/97/33/487059733.db2.gz LYVBCZLNBOHNTF-INIZCTEOSA-N 2 0 348.495 1.640 20 0 EDADRP C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)C1 ZINC000673670583 487085407 /nfs/dbraw/zinc/08/54/07/487085407.db2.gz GNNJHUWZZAMONP-GOSISDBHSA-N 2 0 344.503 1.458 20 0 EDADRP OC[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000684607877 487114993 /nfs/dbraw/zinc/11/49/93/487114993.db2.gz OGZAISGUOOWTOF-RBUKOAKNSA-N 2 0 348.487 1.896 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2C[NH+]3CCN2CCC3)C1 ZINC000677902329 487196140 /nfs/dbraw/zinc/19/61/40/487196140.db2.gz XIMROJYBYMVJFA-RTBURBONSA-N 2 0 342.487 1.109 20 0 EDADRP c1cnc2c(c1)CCC[C@H]2[NH2+][C@@H]1CCN(CCN2CCOCC2)C1 ZINC000684956358 487200061 /nfs/dbraw/zinc/20/00/61/487200061.db2.gz BTTGCVYTPBLMBG-QZTJIDSGSA-N 2 0 330.476 1.455 20 0 EDADRP C[C@H](NC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C)C1CC[NH+](C)CC1 ZINC000681970424 487268221 /nfs/dbraw/zinc/26/82/21/487268221.db2.gz UWOLDHZPQRFCHJ-CABCVRRESA-N 2 0 340.512 1.203 20 0 EDADRP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc(NS(C)(=O)=O)c1 ZINC000685470504 487280467 /nfs/dbraw/zinc/28/04/67/487280467.db2.gz YWHIXCHOAGGRLS-BBRMVZONSA-N 2 0 325.478 1.830 20 0 EDADRP C[C@@H]([NH2+]CCNS(=O)(=O)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675781117 487443746 /nfs/dbraw/zinc/44/37/46/487443746.db2.gz WPMLUBVPHSVRHP-CQSZACIVSA-N 2 0 325.478 1.285 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CCO1 ZINC000669528898 485503490 /nfs/dbraw/zinc/50/34/90/485503490.db2.gz PUXQFOCXUSZJPO-LAQRGFTBSA-N 2 0 346.475 1.407 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)N[C@H]1CCC[NH2+]CC1 ZINC000669556101 485559350 /nfs/dbraw/zinc/55/93/50/485559350.db2.gz HBTVYHMAPXEGOA-ZWKOTPCHSA-N 2 0 346.475 1.195 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)CCO1 ZINC000669587429 485639317 /nfs/dbraw/zinc/63/93/17/485639317.db2.gz FGSSAEARTZWNKY-IDCNUPLLSA-N 2 0 346.475 1.407 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)NC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000362198815 485725190 /nfs/dbraw/zinc/72/51/90/485725190.db2.gz FMGXZHKTYZORTP-SFHVURJKSA-N 2 0 331.460 1.731 20 0 EDADRP C[C@@H]([NH3+])[C@H]1CN(C(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCO1 ZINC000669198504 485800240 /nfs/dbraw/zinc/80/02/40/485800240.db2.gz DJGAIXDYSSYEHF-CRAIPNDOSA-N 2 0 346.475 1.540 20 0 EDADRP COc1ccc([C@H](CNC(=O)NC[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000668605766 485938969 /nfs/dbraw/zinc/93/89/69/485938969.db2.gz PJMJWMIWFQJZEV-PBHICJAKSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)C[N@@H+]1C1CC1 ZINC000345380136 485973827 /nfs/dbraw/zinc/97/38/27/485973827.db2.gz LYAQUBFFQDMKFX-SIUPPRGNSA-N 2 0 335.492 1.475 20 0 EDADRP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CCO[C@H]2C2CC[NH+](C)CC2)CC[N@@H+]1C ZINC000347090944 486011331 /nfs/dbraw/zinc/01/13/31/486011331.db2.gz HMHJRLOKBJQNBO-DDBAPUKQSA-N 2 0 337.508 1.674 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668665622 486015464 /nfs/dbraw/zinc/01/54/64/486015464.db2.gz CIIGTYWATNRZBD-KURKYZTESA-N 2 0 328.460 1.654 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCC2)C1 ZINC000669389601 486025758 /nfs/dbraw/zinc/02/57/58/486025758.db2.gz DFZVKJMZOGEWEO-LSDHHAIUSA-N 2 0 340.537 1.727 20 0 EDADRP O=C(NC[C@H]1CCC[N@H+](Cc2ccccc2)C1)N[C@@H]1CCC[NH2+]C1 ZINC000669420238 486139407 /nfs/dbraw/zinc/13/94/07/486139407.db2.gz FXKMBMGPNPJEMH-QZTJIDSGSA-N 2 0 330.476 1.950 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC(C)(C)[NH+]2CCC(OC)CC2)CC[C@@H]1[NH3+] ZINC000669469590 486221177 /nfs/dbraw/zinc/22/11/77/486221177.db2.gz ZTHMEAYRFCJHIK-ZBFHGGJFSA-N 2 0 340.512 1.645 20 0 EDADRP [NH3+]C/C=C\CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000669477784 486237723 /nfs/dbraw/zinc/23/77/23/486237723.db2.gz UUAKJICYVOBQCZ-PLNGDYQASA-N 2 0 326.510 1.552 20 0 EDADRP C[N@H+](CCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1)Cc1ccccc1 ZINC000167700846 486482075 /nfs/dbraw/zinc/48/20/75/486482075.db2.gz CJKRSJNQUGQSRC-FQEVSTJZSA-N 2 0 344.503 1.262 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N(C)C)cc1)C1CC[NH+](C)CC1 ZINC000133876115 491222967 /nfs/dbraw/zinc/22/29/67/491222967.db2.gz WUULVEGOZYPDDY-CQSZACIVSA-N 2 0 339.505 1.757 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC000073225586 491007760 /nfs/dbraw/zinc/00/77/60/491007760.db2.gz VVJYMTYHJQYOOB-CALCHBBNSA-N 2 0 336.524 1.345 20 0 EDADRP COC1CC[NH+](CCNC(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000080096529 491170392 /nfs/dbraw/zinc/17/03/92/491170392.db2.gz HYCUJAAUPNGOHO-MRXNPFEDSA-N 2 0 340.512 1.518 20 0 EDADRP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCC[NH+]1CCCOCC1 ZINC000187357929 534025604 /nfs/dbraw/zinc/02/56/04/534025604.db2.gz KIHFUUWZUKXKFW-QGZVFWFLSA-N 2 0 348.491 1.528 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])COC)c1ccccc1Cl ZINC000263228182 517643927 /nfs/dbraw/zinc/64/39/27/517643927.db2.gz HGPRBHWUXVNWHK-LSDHHAIUSA-N 2 0 327.856 1.813 20 0 EDADRP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000166044844 527718338 /nfs/dbraw/zinc/71/83/38/527718338.db2.gz RUNOPOBITAHXEJ-PBHICJAKSA-N 2 0 332.452 1.670 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000164606394 528834569 /nfs/dbraw/zinc/83/45/69/528834569.db2.gz FPIILFQSOSVVRR-SFHVURJKSA-N 2 0 333.476 1.912 20 0 EDADRP CCC(CC)(CNC(=O)[C@@H]1C[C@@H](O)C[NH2+]1)[NH2+][C@@H](C)c1ccccc1 ZINC000262415151 534977942 /nfs/dbraw/zinc/97/79/42/534977942.db2.gz PUYJEVNFWHRPRU-UAGQMJEPSA-N 2 0 333.476 1.735 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)C(C)C ZINC000339607144 535065688 /nfs/dbraw/zinc/06/56/88/535065688.db2.gz IJKDCFMAGPSLOL-HZPDHXFCSA-N 2 0 340.512 1.163 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1ccnc(N2CC[NH+](C)CC2)c1 ZINC000345516937 535235173 /nfs/dbraw/zinc/23/51/73/535235173.db2.gz AYHIDSJBPDDLIZ-MRXNPFEDSA-N 2 0 347.507 1.684 20 0 EDADRP CC1CC[NH+](Cc2cccc(CNC(=O)C[C@H]3COCC[NH2+]3)c2)CC1 ZINC000262312819 535281131 /nfs/dbraw/zinc/28/11/31/535281131.db2.gz DALDTPHPMQQYOX-IBGZPJMESA-N 2 0 345.487 1.913 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)C1 ZINC000339948433 535574737 /nfs/dbraw/zinc/57/47/37/535574737.db2.gz ZKFRUKVVHGQHAP-KRWDZBQOSA-N 3 0 341.544 1.386 20 0 EDADRP CCN1CC[NH+](C[C@H](C)CNC(=O)NCC[NH+]2CCCCC2)CC1 ZINC000077208565 535712172 /nfs/dbraw/zinc/71/21/72/535712172.db2.gz NALSQGQSPDTNLP-QGZVFWFLSA-N 2 0 339.528 1.045 20 0 EDADRP C[NH+](C)C[C@H](NC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1)c1ccccc1 ZINC000262739755 535952611 /nfs/dbraw/zinc/95/26/11/535952611.db2.gz JCSVJVMRNSSEDU-WMZOPIPTSA-N 2 0 341.459 1.840 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)NCCCC[NH+]2CCOCC2)c1 ZINC000061977046 536031601 /nfs/dbraw/zinc/03/16/01/536031601.db2.gz JSKBHYWZEQRKMW-UHFFFAOYSA-N 2 0 348.491 1.660 20 0 EDADRP CN(C)S(=O)(=O)c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261626188 536110689 /nfs/dbraw/zinc/11/06/89/536110689.db2.gz CPIXIIRRBBJDET-XIRDDKMYSA-N 2 0 337.489 1.496 20 0 EDADRP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000353423848 536137796 /nfs/dbraw/zinc/13/77/96/536137796.db2.gz FOSXZHSDMSBFLH-LJQANCHMSA-N 2 0 342.491 1.594 20 0 EDADRP C[N@@H+]1CCC[C@H](CNC(=O)C[C@@H]2COCC[NH2+]2)[C@@H]1c1cccs1 ZINC000262435600 536385734 /nfs/dbraw/zinc/38/57/34/536385734.db2.gz UGXAFAPRLIFRIF-CKEIUWERSA-N 2 0 337.489 1.626 20 0 EDADRP COC[C@]1(C(=O)N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]C1 ZINC000261555629 536656494 /nfs/dbraw/zinc/65/64/94/536656494.db2.gz BNQFWTMWSHFYLJ-POAQFYNOSA-N 2 0 345.487 1.639 20 0 EDADRP Cc1occc1C(=O)NC1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000727587158 578535055 /nfs/dbraw/zinc/53/50/55/578535055.db2.gz ZOAQJGWAWFFRQY-INIZCTEOSA-N 2 0 335.448 1.239 20 0 EDADRP Cc1cc(NCCCC[NH+]2CCN(c3ncccn3)CC2)nc(N)[nH+]1 ZINC000729182105 578560675 /nfs/dbraw/zinc/56/06/75/578560675.db2.gz MXFKINKCQQUVHQ-UHFFFAOYSA-N 2 0 342.451 1.172 20 0 EDADRP C[C@@H](C[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C)N1CC[NH+](C)CC1 ZINC000729683717 578587217 /nfs/dbraw/zinc/58/72/17/578587217.db2.gz YGWKTINMQAWZLM-HOTGVXAUSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(N[C@H]1CC[N@@H+](C2CC2)C1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000734280482 578805097 /nfs/dbraw/zinc/80/50/97/578805097.db2.gz LMSKKZCPFODDRG-RDJZCZTQSA-N 2 0 336.480 1.166 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1SCCS1 ZINC000761155959 580050010 /nfs/dbraw/zinc/05/00/10/580050010.db2.gz NBUAULKCCJXWFE-CYBMUJFWSA-N 2 0 331.551 1.667 20 0 EDADRP C[C@H](C[NH2+]Cc1cnc(-c2ccncc2)s1)N1CC[NH+](C)CC1 ZINC000753369318 579878056 /nfs/dbraw/zinc/87/80/56/579878056.db2.gz URXSTIACCRFWMA-CQSZACIVSA-N 2 0 331.489 1.931 20 0 EDADRP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000758456563 579982902 /nfs/dbraw/zinc/98/29/02/579982902.db2.gz TUIREELXNSWGIR-HYVNUMGLSA-N 2 0 338.496 1.221 20 0 EDADRP CC(C)(C)[C@@H](O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000764948402 580131811 /nfs/dbraw/zinc/13/18/11/580131811.db2.gz NUIQQHYYGLHCQC-INIZCTEOSA-N 2 0 334.464 1.117 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H](C)[NH+]1CCCCC1)C(C)C ZINC000774787929 580374201 /nfs/dbraw/zinc/37/42/01/580374201.db2.gz FIWLUMRQYXJRHS-MRXNPFEDSA-N 2 0 340.512 1.212 20 0 EDADRP C[C@H](C(=O)N1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000780947179 580538500 /nfs/dbraw/zinc/53/85/00/580538500.db2.gz SMRJGRMJEZTNIX-UCIFAOBLSA-N 2 0 337.508 1.958 20 0 EDADRP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Br)nn1C ZINC000785513640 580646246 /nfs/dbraw/zinc/64/62/46/580646246.db2.gz MPVKQLPDNDNBTD-LBPRGKRZSA-N 2 0 344.301 1.298 20 0 EDADRP CC(C)CN(CC[NH+](C)C)C(=O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000793710547 580853086 /nfs/dbraw/zinc/85/30/86/580853086.db2.gz RZJBSGSCNBYICP-INIZCTEOSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N2CCCCC[C@H]([NH3+])C2)CCCO1 ZINC000891857096 590657825 /nfs/dbraw/zinc/65/78/25/590657825.db2.gz YOZIAHUZCNUKPC-CVEARBPZSA-N 2 0 326.485 1.400 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000891856585 590657885 /nfs/dbraw/zinc/65/78/85/590657885.db2.gz RZSQHOLNTAPFKY-NXHRZFHOSA-N 2 0 346.475 1.409 20 0 EDADRP C[N@H+]1C[C@H]2CN(C(=O)NCCC[NH+]3CCc4ccccc4C3)C[C@H]2C1 ZINC000891891707 590674753 /nfs/dbraw/zinc/67/47/53/590674753.db2.gz BOLYPZASLYMEEZ-KDURUIRLSA-N 2 0 342.487 1.638 20 0 EDADRP CSC1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC[NH+](C)CC1 ZINC000891909039 590683833 /nfs/dbraw/zinc/68/38/33/590683833.db2.gz ZFKZZAXXZVQOAW-KBPBESRZSA-N 2 0 326.510 1.350 20 0 EDADRP C[N@@H+]1CCC[C@H](CCNC(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000891956387 590706879 /nfs/dbraw/zinc/70/68/79/590706879.db2.gz PVGDNZATUPJJHH-MSOLQXFVSA-N 2 0 332.492 1.978 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1CCCCC1 ZINC000892006664 590740384 /nfs/dbraw/zinc/74/03/84/590740384.db2.gz KRYBKQKEIAYRRT-HZPDHXFCSA-N 2 0 338.496 1.352 20 0 EDADRP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000893302411 590767272 /nfs/dbraw/zinc/76/72/72/590767272.db2.gz FZEJEBZAAUFSIS-ZBFHGGJFSA-N 2 0 337.489 1.711 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H](C[NH3+])C2CCCC2)CCN1c1cc[nH+]cc1 ZINC000892090760 590793950 /nfs/dbraw/zinc/79/39/50/590793950.db2.gz HYOXNBQREIRFFH-WMLDXEAASA-N 2 0 331.464 1.819 20 0 EDADRP COc1ccc([C@H]2C[NH2+]CCN2C(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000892134018 590815915 /nfs/dbraw/zinc/81/59/15/590815915.db2.gz HLXHVLYSMDGOOZ-RHSMWYFYSA-N 2 0 334.464 1.869 20 0 EDADRP CC(=O)OC[C@@H](C)Nc1ccc2[nH]c(CCN3CCOCC3)[nH+]c2c1 ZINC000893380502 590820922 /nfs/dbraw/zinc/82/09/22/590820922.db2.gz YIRIZGXFNZTCHQ-CYBMUJFWSA-N 2 0 346.431 1.801 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC[C@H]2CC3(CO2)CC[NH2+]CC3)cc1 ZINC000892209222 590864962 /nfs/dbraw/zinc/86/49/62/590864962.db2.gz CFTBTICRKCTHMV-MRXNPFEDSA-N 2 0 332.448 1.103 20 0 EDADRP CC(C)C[N@H+](C)CCCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000892214675 590867492 /nfs/dbraw/zinc/86/74/92/590867492.db2.gz VVLISXCHWLHNDD-QWHCGFSZSA-N 2 0 338.418 1.743 20 0 EDADRP CN(C(=O)NCc1cccc2c1CC[NH2+]C2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892329184 590952129 /nfs/dbraw/zinc/95/21/29/590952129.db2.gz DYZNYEQVAOPCDL-SJPCQFCGSA-N 2 0 328.460 1.757 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N(C)CC(C)(C)C[NH+](C)C)CC1 ZINC000892335203 590962658 /nfs/dbraw/zinc/96/26/58/590962658.db2.gz QVCQMUUJKMITDN-UHFFFAOYSA-N 2 0 328.501 1.326 20 0 EDADRP C[C@@H]1C[C@@H](N(C)C(=O)NCc2cccc3c2CC[NH2+]C3)CC[N@@H+]1C ZINC000892343934 590972068 /nfs/dbraw/zinc/97/20/68/590972068.db2.gz XJACEELBZKELBE-PBHICJAKSA-N 2 0 330.476 1.956 20 0 EDADRP CC1(C)CC[C@H](CNC(=O)N2C[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)[NH2+]C1 ZINC000892377387 591000508 /nfs/dbraw/zinc/00/05/08/591000508.db2.gz JNWALSAFMCDWED-TUAOUCFPSA-N 2 0 336.402 1.543 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000892382883 591003248 /nfs/dbraw/zinc/00/32/48/591003248.db2.gz BWXYAJYGODUEBF-INIZCTEOSA-N 2 0 341.544 1.290 20 0 EDADRP [NH3+][C@H](CCNC(=O)NC[C@H]1CCC[N@@H+]1CCCO)Cc1ccccc1 ZINC000892407914 591015322 /nfs/dbraw/zinc/01/53/22/591015322.db2.gz JAIQXVOLNGAYLF-QZTJIDSGSA-N 2 0 348.491 1.093 20 0 EDADRP C[NH+](C)CCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)C12CCOCC2 ZINC000892429263 591024483 /nfs/dbraw/zinc/02/44/83/591024483.db2.gz HZHFXNIGDBTPAW-GJZGRUSLSA-N 2 0 341.496 1.990 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892433277 591027012 /nfs/dbraw/zinc/02/70/12/591027012.db2.gz HGUQGCIWEWKWQS-WKILWMFISA-N 2 0 327.517 1.029 20 0 EDADRP COC(=O)c1sccc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000893661728 591038113 /nfs/dbraw/zinc/03/81/13/591038113.db2.gz NITPITBZOCUSJY-CYBMUJFWSA-N 2 0 325.478 1.650 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000891321751 591045975 /nfs/dbraw/zinc/04/59/75/591045975.db2.gz BJERAXBLCOTYGM-QZTJIDSGSA-N 2 0 332.492 1.943 20 0 EDADRP C[C@H]([NH2+]CCS(=O)(=O)C1CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000840881669 591069965 /nfs/dbraw/zinc/06/99/65/591069965.db2.gz JWZPDAVFGGYUIB-AWEZNQCLSA-N 2 0 340.489 1.855 20 0 EDADRP COc1ccc([C@@H]2C[NH2+]CCN2C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000891448607 591075559 /nfs/dbraw/zinc/07/55/59/591075559.db2.gz RVAVYHNRVHJMOF-PBHICJAKSA-N 2 0 334.464 1.691 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1c1cc[nH+]cc1 ZINC000892585308 591082106 /nfs/dbraw/zinc/08/21/06/591082106.db2.gz VBBCAVZTHATFOA-WCXIOVBPSA-N 2 0 343.475 1.832 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[C@H]1C(F)(F)F ZINC000892586606 591083064 /nfs/dbraw/zinc/08/30/64/591083064.db2.gz VUKPZGXHAXSZAJ-PDWCTOEPSA-N 2 0 348.413 1.686 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)COC(C)=O)cc2)CC1 ZINC000892596676 591087173 /nfs/dbraw/zinc/08/71/73/591087173.db2.gz MTHAUJSSIYYPPH-INIZCTEOSA-N 2 0 333.476 1.865 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1C(=O)NC1CC[NH+](CCCOC)CC1 ZINC000891493627 591092651 /nfs/dbraw/zinc/09/26/51/591092651.db2.gz WLAXAPFGCRRGDR-MRXNPFEDSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)([NH3+])CCNC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000891518114 591104181 /nfs/dbraw/zinc/10/41/81/591104181.db2.gz NFXLAYIODVTFHK-UHFFFAOYSA-N 2 0 348.491 1.570 20 0 EDADRP C[N@@H+]1C[C@@H]2CN(C(=O)N[C@@H]3CC[NH+](Cc4ccccc4)C3)C[C@]2(C)C1 ZINC000891543381 591114777 /nfs/dbraw/zinc/11/47/77/591114777.db2.gz PUYYLSSFZFZFCU-GGPKGHCWSA-N 2 0 342.487 1.854 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000891547104 591117680 /nfs/dbraw/zinc/11/76/80/591117680.db2.gz XSKITPVMOZWVHX-HUUCEWRRSA-N 2 0 340.537 1.869 20 0 EDADRP C[NH+](C)CC[C@@H](NC(=O)NC[C@H]1C[NH2+]CCC1(F)F)C(C)(C)C ZINC000891569063 591130442 /nfs/dbraw/zinc/13/04/42/591130442.db2.gz OEUGSLRKPHQFTR-CHWSQXEVSA-N 2 0 334.455 1.897 20 0 EDADRP CC[C@H](CO)Nc1cc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)ncn1 ZINC000893960432 591150019 /nfs/dbraw/zinc/15/00/19/591150019.db2.gz SJOMWMYAVOYZKW-HUUCEWRRSA-N 2 0 333.480 1.970 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCc2sc(C[NH3+])nc2C1 ZINC000891630138 591158701 /nfs/dbraw/zinc/15/87/01/591158701.db2.gz FRJACBAXKFMSSA-UHFFFAOYSA-N 2 0 325.482 1.401 20 0 EDADRP CN(C(=O)NC[C@H]1CC2(CO1)CC[NH2+]CC2)C1(C[NH3+])CCCCC1 ZINC000892760448 591165371 /nfs/dbraw/zinc/16/53/71/591165371.db2.gz OWWUJKNYDHAZTB-OAHLLOKOSA-N 2 0 338.496 1.448 20 0 EDADRP O=C(NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)N1CCC([NH2+]C2CCC2)CC1 ZINC000892817563 591192834 /nfs/dbraw/zinc/19/28/34/591192834.db2.gz DZMHQCFHKXNHEE-SJORKVTESA-N 2 0 336.480 1.166 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891800930 591228513 /nfs/dbraw/zinc/22/85/13/591228513.db2.gz XLKUPWRCPOMNEU-WOGUSJMUSA-N 2 0 342.487 1.758 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)N[C@@H]1Cc2ccccc2[C@H]1O ZINC000895665248 591246163 /nfs/dbraw/zinc/24/61/63/591246163.db2.gz AQFPSCPBBJBOSP-BMGDILEWSA-N 2 0 348.491 1.216 20 0 EDADRP Cc1nc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc(N[C@H]2CC[NH+](C)[C@H]2C)c1F ZINC000895737792 591265219 /nfs/dbraw/zinc/26/52/19/591265219.db2.gz ZBTZULNMSLDUOM-RFQIPJPRSA-N 2 0 336.459 1.933 20 0 EDADRP COC[C@]1(C(=O)OC(C)(C)C)CN(CC2CC[NH+](C)CC2)CCO1 ZINC000895761084 591267338 /nfs/dbraw/zinc/26/73/38/591267338.db2.gz AXRUWEQBXBQZHJ-SFHVURJKSA-N 2 0 342.480 1.387 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895812000 591278507 /nfs/dbraw/zinc/27/85/07/591278507.db2.gz ITFWKSUSZSXZIO-SFHVURJKSA-N 2 0 345.487 1.386 20 0 EDADRP CN(CC[N@H+](C)[C@@H]1CCC2(C[C@@H]1F)OCCO2)C1CC[NH+](C)CC1 ZINC000894453068 591316188 /nfs/dbraw/zinc/31/61/88/591316188.db2.gz AMOAYYJLYBIYIR-DLBZAZTESA-N 2 0 343.487 1.578 20 0 EDADRP CN(C)[S@@](C)(=O)=NCC1CC[NH+](CC2CC[NH+](C)CC2)CC1 ZINC000898401596 591341443 /nfs/dbraw/zinc/34/14/43/591341443.db2.gz UZSQDUVWSBELBS-QFIPXVFZSA-N 2 0 330.542 1.615 20 0 EDADRP CCO[C@@H](CNc1cc(N2CCCC[C@H]2CO)ncn1)C[NH+](C)C ZINC000896117452 591349058 /nfs/dbraw/zinc/34/90/58/591349058.db2.gz UQJJYUFGYOADDN-GJZGRUSLSA-N 2 0 337.468 1.206 20 0 EDADRP C[C@@H](CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896291541 591416667 /nfs/dbraw/zinc/41/66/67/591416667.db2.gz CPYQCKLIZUGWHR-MAUKXSAKSA-N 2 0 331.460 1.344 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)N2CCC([NH2+]C3CCOCC3)CC2)C1 ZINC000897469707 591471200 /nfs/dbraw/zinc/47/12/00/591471200.db2.gz PBZNNQQSXOIUOQ-OAHLLOKOSA-N 2 0 338.496 1.271 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000897514840 591514816 /nfs/dbraw/zinc/51/48/16/591514816.db2.gz AITRKUDRWPNABK-SJORKVTESA-N 2 0 338.496 1.367 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCOC12CCCC2 ZINC000898768236 591521204 /nfs/dbraw/zinc/52/12/04/591521204.db2.gz XFTCXFXBGXNJKT-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NC[C@H]2CCCC[N@H+](C)C2)CC1 ZINC000897545541 591545285 /nfs/dbraw/zinc/54/52/85/591545285.db2.gz PZYUCJPBCPLHRX-MRXNPFEDSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)CC[N@@H+]1C ZINC000896617753 591554223 /nfs/dbraw/zinc/55/42/23/591554223.db2.gz JVKDLRYCZKRBRS-BGTYHANMSA-N 2 0 330.476 1.724 20 0 EDADRP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]CCCN2CC[NH2+]CC2)C1 ZINC000841029918 591580448 /nfs/dbraw/zinc/58/04/48/591580448.db2.gz OSTQUAGCEHIETA-ZIAGYGMSSA-N 2 0 333.423 1.238 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)NC[C@@]2([NH+](C)C)CCSC2)[nH]n1 ZINC000896835668 591626682 /nfs/dbraw/zinc/62/66/82/591626682.db2.gz ROXBLHPZSKDUPC-HOCLYGCPSA-N 2 0 337.493 1.344 20 0 EDADRP C[C@@H]1CN(C(=O)C2C[NH+](C3CCOCC3)C2)CCN1c1cc[nH+]cc1 ZINC000899204812 591729174 /nfs/dbraw/zinc/72/91/74/591729174.db2.gz GQPUJCJGEWYIIU-OAHLLOKOSA-N 2 0 344.459 1.230 20 0 EDADRP C[C@@H]1CN(Cc2cn(C[C@H]3CCCO3)nn2)CCN1c1cc[nH+]cc1 ZINC000895556090 591800387 /nfs/dbraw/zinc/80/03/87/591800387.db2.gz DWVJMAZULMOKES-CRAIPNDOSA-N 2 0 342.447 1.563 20 0 EDADRP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(N3CCNC3=O)cc2)CC1 ZINC000895603703 591815797 /nfs/dbraw/zinc/81/57/97/591815797.db2.gz ADPJWRZQBZRGRP-UHFFFAOYSA-N 2 0 346.475 1.541 20 0 EDADRP C[NH+](C)CCn1nccc1C(=O)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000900018496 591869670 /nfs/dbraw/zinc/86/96/70/591869670.db2.gz IVSHJESJEGXOSY-INIZCTEOSA-N 2 0 329.448 1.477 20 0 EDADRP CCOC(=O)N1C[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H](CO)C1 ZINC000898353251 591884436 /nfs/dbraw/zinc/88/44/36/591884436.db2.gz DFVOMYGAZHIGDI-PBHICJAKSA-N 2 0 348.447 1.089 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)C[C@]2(O)CCC[N@H+](C)C2)CC1 ZINC000900217338 591946605 /nfs/dbraw/zinc/94/66/05/591946605.db2.gz VZSBDTYTVULZOP-GOSISDBHSA-N 2 0 325.497 1.462 20 0 EDADRP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000900218816 591947310 /nfs/dbraw/zinc/94/73/10/591947310.db2.gz NPFYMKRFPXAKRU-HZPDHXFCSA-N 2 0 335.496 1.543 20 0 EDADRP O=S(=O)(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCCC1 ZINC000902450287 591999091 /nfs/dbraw/zinc/99/90/91/591999091.db2.gz CGFVFDRSURGJAF-BZUAXINKSA-N 2 0 329.510 1.312 20 0 EDADRP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1 ZINC000902516007 592009355 /nfs/dbraw/zinc/00/93/55/592009355.db2.gz BNSXNDAKQKLSTD-IJLUTSLNSA-N 2 0 325.844 1.664 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2ccnn2CC[NH+](C)C)[NH+](C)C)cc1 ZINC000900406949 592009930 /nfs/dbraw/zinc/00/99/30/592009930.db2.gz WBNROKGSGQNMBN-GOSISDBHSA-N 2 0 343.475 1.786 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCN(c2cn[nH]c(=O)c2Cl)C1)[C@H]1CCC[NH2+]C1 ZINC000902521403 592010147 /nfs/dbraw/zinc/01/01/47/592010147.db2.gz SJRHXOIGRLPSFF-SDDRHHMPSA-N 2 0 325.844 1.392 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N(CC[NH+](C)C)c2ccccc2)CC1 ZINC000900429026 592015746 /nfs/dbraw/zinc/01/57/46/592015746.db2.gz HDLMHHPYEXOPPT-UHFFFAOYSA-N 2 0 346.519 1.997 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C(=O)C(C)(C)CC ZINC000900480152 592030195 /nfs/dbraw/zinc/03/01/95/592030195.db2.gz CYVUCIWURXLUCO-HNNXBMFYSA-N 2 0 325.497 1.866 20 0 EDADRP Cc1cccc(NC(=O)CONC(=[NH2+])[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000902811463 592069136 /nfs/dbraw/zinc/06/91/36/592069136.db2.gz WCKSJCMXHNEFAD-LSDHHAIUSA-N 2 0 332.404 1.295 20 0 EDADRP CN(C)c1cc[nH+]c(CNC(=O)NCc2cc(N(C)C)cc[nH+]2)c1 ZINC000902882612 592078729 /nfs/dbraw/zinc/07/87/29/592078729.db2.gz XISDZGILZAMKOU-UHFFFAOYSA-N 2 0 328.420 1.608 20 0 EDADRP CNc1nc(C)ccc1C(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000900675041 592091107 /nfs/dbraw/zinc/09/11/07/592091107.db2.gz OOYQXKZZXJBKHF-CQSZACIVSA-N 2 0 331.464 1.330 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@H](O)CN1CC[C@@H](Nc2ncccn2)C1 ZINC000903027607 592108155 /nfs/dbraw/zinc/10/81/55/592108155.db2.gz VBHHTSOQIMPNRM-MSOLQXFVSA-N 2 0 341.459 1.456 20 0 EDADRP CC1CCC([NH+]2CCN(C(=O)C[C@]3(O)CCC[N@H+](C)C3)CC2)CC1 ZINC000900732678 592111910 /nfs/dbraw/zinc/11/19/10/592111910.db2.gz VQQKUPPFKZIXPX-FAFZWHIHSA-N 2 0 337.508 1.556 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C3CCN(C(C)=O)CC3)C2)[C@@H]1C(C)C ZINC000903116971 592123633 /nfs/dbraw/zinc/12/36/33/592123633.db2.gz BSSFDYDQCJXESJ-YRXWBPOGSA-N 2 0 337.508 1.457 20 0 EDADRP CC[N@@H+]1CC[C@@H]([NH2+]CC2(S(=O)(=O)NC(C)(C)C)CCC2)[C@H](C)C1 ZINC000903191174 592136800 /nfs/dbraw/zinc/13/68/00/592136800.db2.gz PAYLQMOYOJQXJW-HUUCEWRRSA-N 2 0 345.553 1.947 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]C[C@]2(CO)COCCN2C)CC[N@@H+]1Cc1ccccc1 ZINC000903277812 592150309 /nfs/dbraw/zinc/15/03/09/592150309.db2.gz CHOUCTLHNIMFFG-HOJAQTOUSA-N 2 0 347.503 1.322 20 0 EDADRP FC(F)(F)[C@H]1CC[C@@H](CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)O1 ZINC000903505606 592181968 /nfs/dbraw/zinc/18/19/68/592181968.db2.gz DVECCZGGZDETSJ-XUWVNRHRSA-N 2 0 347.425 1.997 20 0 EDADRP COCc1noc([C@H](C)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)n1 ZINC000903507095 592198849 /nfs/dbraw/zinc/19/88/49/592198849.db2.gz MWARZMIFGONRPL-AEGPPILISA-N 2 0 335.452 1.178 20 0 EDADRP CN(C(=O)[C@]1(C)C[C@@H](O)C[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000901074595 592223980 /nfs/dbraw/zinc/22/39/80/592223980.db2.gz GROZKYTXBFUWMF-LMMKCTJWSA-N 2 0 331.460 1.174 20 0 EDADRP [NH3+][C@H]1C[C@@H](C[NH+]2CCN([C@@H]3CCN(c4ccccc4)C3=O)CC2)C1 ZINC000904340871 592234485 /nfs/dbraw/zinc/23/44/85/592234485.db2.gz MLHQDLSTJHOYFZ-SOLBZPMBSA-N 2 0 328.460 1.147 20 0 EDADRP CC[N@H+](CCNC(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1)C(C)C ZINC000906650767 592234658 /nfs/dbraw/zinc/23/46/58/592234658.db2.gz MZKOLMZCFYVHHI-UHFFFAOYSA-N 2 0 334.464 1.665 20 0 EDADRP CN(C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)C1(C[NH3+])CCOCC1 ZINC000904354309 592237398 /nfs/dbraw/zinc/23/73/98/592237398.db2.gz FDROERVHXMCXAY-UHFFFAOYSA-N 2 0 330.392 1.239 20 0 EDADRP C[C@@H]1C[C@H](NC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[N@@H+]1C1CC1 ZINC000906656420 592238281 /nfs/dbraw/zinc/23/82/81/592238281.db2.gz GVXGRDLFSZIYQW-DOMZBBRYSA-N 2 0 344.459 1.560 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)C(=O)Nc2ccccc2C[NH3+])C[C@@H]1C ZINC000906657101 592239361 /nfs/dbraw/zinc/23/93/61/592239361.db2.gz KEAPJGYWAZCGII-ZFWWWQNUSA-N 2 0 332.448 1.415 20 0 EDADRP c1cc(N2CC[NH2+]CC2)oc1CN1CC[NH2+]C[C@@H]1c1ccccc1 ZINC000904371284 592240278 /nfs/dbraw/zinc/24/02/78/592240278.db2.gz LRLPSMMTXCVIDV-GOSISDBHSA-N 2 0 326.444 1.836 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665718 592247740 /nfs/dbraw/zinc/24/77/40/592247740.db2.gz DFKNCCCQTVUFOW-HNNXBMFYSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906665573 592247770 /nfs/dbraw/zinc/24/77/70/592247770.db2.gz ZIWKOHQRSDHBBL-ZDUSSCGKSA-N 2 0 332.448 1.273 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2CN2CCC[C@@]([NH3+])(CO)C2)CC1 ZINC000904407142 592250517 /nfs/dbraw/zinc/25/05/17/592250517.db2.gz OBHINRUFSKUBIT-FQEVSTJZSA-N 2 0 346.519 1.504 20 0 EDADRP C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)C(=O)Nc1ccc(C(C)(C)[NH3+])cc1 ZINC000906680273 592261129 /nfs/dbraw/zinc/26/11/29/592261129.db2.gz MPFHOULWZMXAQL-CVEARBPZSA-N 2 0 344.459 1.514 20 0 EDADRP O=C(C1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1)N1CCCCC1 ZINC000903717682 592280477 /nfs/dbraw/zinc/28/04/77/592280477.db2.gz CZHDFHMNQBWAGP-MJGOQNOKSA-N 2 0 335.492 1.480 20 0 EDADRP CC(C)N(C)C(=O)C1CC[NH+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903723022 592283891 /nfs/dbraw/zinc/28/38/91/592283891.db2.gz RZMLMTDPAVULKI-KRWDZBQOSA-N 2 0 337.508 1.724 20 0 EDADRP COc1ccccc1[C@@H]1C[NH2+]CCN1C[C@H]1C[C@]2(CC[NH2+]C2)CO1 ZINC000903747263 592293832 /nfs/dbraw/zinc/29/38/32/592293832.db2.gz QSEPYJGSSZZFBG-AYBZRNKSSA-N 2 0 331.460 1.410 20 0 EDADRP COCCCOC1CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903734465 592298163 /nfs/dbraw/zinc/29/81/63/592298163.db2.gz RHHZLKSJEDLSJT-QGZVFWFLSA-N 2 0 326.481 1.663 20 0 EDADRP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903740063 592302172 /nfs/dbraw/zinc/30/21/72/592302172.db2.gz CKABHRPWEXUPEL-MOPGFXCFSA-N 3 0 337.508 1.332 20 0 EDADRP C[C@H](c1cccnc1)N1CC[NH+](C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903742050 592304965 /nfs/dbraw/zinc/30/49/65/592304965.db2.gz VEUSELXZXSDXOK-NEWSRXKRSA-N 2 0 330.476 1.529 20 0 EDADRP C[C@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(C[NH3+])(c2ccccc2)CC1 ZINC000903794014 592317352 /nfs/dbraw/zinc/31/73/52/592317352.db2.gz MXUHDTVNGOTNKO-CQSZACIVSA-N 2 0 344.459 1.356 20 0 EDADRP COC(=O)c1cc(C2CC[NH+](C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)no1 ZINC000903779081 592318811 /nfs/dbraw/zinc/31/88/11/592318811.db2.gz TZSOEUKVZIQXAT-KSSFIOAISA-N 2 0 349.431 1.409 20 0 EDADRP CCOC(=O)CC[N@@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)CC1CC1 ZINC000903889162 592351324 /nfs/dbraw/zinc/35/13/24/592351324.db2.gz PJEOHFLHBXDPII-HNNXBMFYSA-N 2 0 335.452 1.368 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[N@H+](C)C[C@H]2c2ccccc2)cnn1C ZINC000903872777 592354686 /nfs/dbraw/zinc/35/46/86/592354686.db2.gz CGXHQAPFGXDSHT-XLIONFOSSA-N 2 0 341.503 1.835 20 0 EDADRP [NH3+]C1CC[NH+](CCc2cc(-c3cnn(-c4ccccc4)n3)no2)CC1 ZINC000901409097 592355965 /nfs/dbraw/zinc/35/59/65/592355965.db2.gz ZAWJCVWWARBTTJ-UHFFFAOYSA-N 2 0 338.415 1.888 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](C)C[C@H]2COc3ccccc3O2)cnn1C ZINC000903876692 592356565 /nfs/dbraw/zinc/35/65/65/592356565.db2.gz HLLHENVTUYHIMY-RDJZCZTQSA-N 2 0 344.459 1.618 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH+]2CCC(C[NH+]3CCCC3)CC2)cnn1C ZINC000903881319 592361011 /nfs/dbraw/zinc/36/10/11/592361011.db2.gz YHWZMCZSOFPGMQ-GOSISDBHSA-N 3 0 333.524 1.654 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000903894954 592366466 /nfs/dbraw/zinc/36/64/66/592366466.db2.gz IRNVUIOUEXNOKP-IAGOWNOFSA-N 2 0 332.496 1.653 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@H+](CCO)Cc2ccc(C)cc2)cnn1C ZINC000903902603 592371401 /nfs/dbraw/zinc/37/14/01/592371401.db2.gz KHYQPMOCWPLLIS-GOSISDBHSA-N 2 0 330.476 1.649 20 0 EDADRP COc1ccc2c(c1)CC[N@@H+](C[C@H](C[NH3+])Cc1cnn(C)c1C)CC2 ZINC000903903407 592372080 /nfs/dbraw/zinc/37/20/80/592372080.db2.gz IZRPWQHMRAFFGZ-INIZCTEOSA-N 2 0 342.487 1.955 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000903909669 592374520 /nfs/dbraw/zinc/37/45/20/592374520.db2.gz WRYPGYQYERWNBJ-SJORKVTESA-N 2 0 326.448 1.662 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[NH2+]CCn1cnc2ccccc21 ZINC000903922752 592378028 /nfs/dbraw/zinc/37/80/28/592378028.db2.gz DKNCQKUGHGIHEJ-CQSZACIVSA-N 2 0 325.420 1.342 20 0 EDADRP CN(C)[C@@H](C[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000903926331 592381164 /nfs/dbraw/zinc/38/11/64/592381164.db2.gz KVILZDBRNPTAHB-AEFFLSMTSA-N 2 0 328.464 1.595 20 0 EDADRP CC[NH+](CC)Cc1cccc(C[NH2+]C[C@H](O)C[C@@]2(O)CCOC2)c1 ZINC000905052200 592381659 /nfs/dbraw/zinc/38/16/59/592381659.db2.gz NLYRIQBNVLWBKE-MOPGFXCFSA-N 2 0 336.476 1.520 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cnn1C ZINC000903931169 592383643 /nfs/dbraw/zinc/38/36/43/592383643.db2.gz ADDCQGNPKMQVDY-LULLPPNCSA-N 3 0 349.523 1.207 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCC[C@@H]([NH+]3CCOCC3)CC2)cnn1C ZINC000903933141 592384784 /nfs/dbraw/zinc/38/47/84/592384784.db2.gz YWUAPSSJJYLLRP-PKOBYXMFSA-N 3 0 349.523 1.033 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CCC(C)([NH+]3CCCC3)CC2)cnn1C ZINC000903935453 592386314 /nfs/dbraw/zinc/38/63/14/592386314.db2.gz PSAADOVEUUZYSI-QGZVFWFLSA-N 2 0 333.524 1.796 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])CN2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cnn1C ZINC000903937996 592387192 /nfs/dbraw/zinc/38/71/92/592387192.db2.gz XEFVALILSMJUSB-RDJZCZTQSA-N 2 0 342.491 1.452 20 0 EDADRP Cc1cc([C@H]2CCC[N@H+](Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000903917943 592390321 /nfs/dbraw/zinc/39/03/21/592390321.db2.gz PCIRFOUXMNSRBH-GJZGRUSLSA-N 2 0 329.452 1.614 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C[C@](C)(O)C(F)F)c1 ZINC000905086205 592390862 /nfs/dbraw/zinc/39/08/62/592390862.db2.gz BKCBGNXOERVZDN-INIZCTEOSA-N 2 0 329.391 1.084 20 0 EDADRP c1[nH]nc2cc(CN3C[C@H]4CC[C@@H](C3)[N@H+]4C3CC[NH2+]CC3)ccc12 ZINC000903980487 592400134 /nfs/dbraw/zinc/40/01/34/592400134.db2.gz SVDOHQFPTLUODO-HDICACEKSA-N 2 0 325.460 1.964 20 0 EDADRP CCOC(=O)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)o1 ZINC000903980740 592401474 /nfs/dbraw/zinc/40/14/74/592401474.db2.gz YZDZYBAHMYEFMX-IYBDPMFKSA-N 2 0 347.459 1.857 20 0 EDADRP CSC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC[NH+](C)CC1 ZINC000908286675 592425809 /nfs/dbraw/zinc/42/58/09/592425809.db2.gz YHSQDWUMEOOMHD-GJZGRUSLSA-N 2 0 325.522 1.947 20 0 EDADRP C[NH+](C)C1CCN(CC[NH2+]C[C@H](O)C[C@H](O)c2ccccc2)CC1 ZINC000905145188 592436803 /nfs/dbraw/zinc/43/68/03/592436803.db2.gz BYGQRJZPNIDLFU-MOPGFXCFSA-N 2 0 335.492 1.087 20 0 EDADRP Cc1cc(N2CC[NH+](C)CC2)ccc1NC(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000904279375 592468054 /nfs/dbraw/zinc/46/80/54/592468054.db2.gz UMEKELRQCLTNPR-KRWDZBQOSA-N 2 0 345.491 1.866 20 0 EDADRP CC(C)(C(=O)N1CC[C@@H](OCC[NH+]2CCCC2)C1)[NH+]1CCCCC1 ZINC000907017808 592481367 /nfs/dbraw/zinc/48/13/67/592481367.db2.gz OCCBQJKDEZRQQX-QGZVFWFLSA-N 2 0 337.508 1.964 20 0 EDADRP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)C2 ZINC000905504871 592546859 /nfs/dbraw/zinc/54/68/59/592546859.db2.gz ZMEVAMMKEDYPQF-MFKWGIFDSA-N 2 0 332.488 1.659 20 0 EDADRP O=C(N1CCC(CCC[NH+]2CCOCC2)CC1)C12CC[NH+](CC1)C2 ZINC000907258570 592574275 /nfs/dbraw/zinc/57/42/75/592574275.db2.gz PSSJWVSHOVADJL-UHFFFAOYSA-N 2 0 335.492 1.433 20 0 EDADRP CCOC(=O)[C@@H]1CCCN(CC(=O)NCC[N@H+]2CC=C(C)CC2)C1 ZINC000907385302 592620538 /nfs/dbraw/zinc/62/05/38/592620538.db2.gz GNTXHDHRXJUNRC-MRXNPFEDSA-N 2 0 337.464 1.030 20 0 EDADRP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C[C@]1(O)CCOC1 ZINC000905889296 592668819 /nfs/dbraw/zinc/66/88/19/592668819.db2.gz JOBCVAYOWDWBJF-RBUKOAKNSA-N 2 0 334.460 1.274 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C2CN(C)CC[N@H+](C)C2)c1 ZINC000906066739 592735701 /nfs/dbraw/zinc/73/57/01/592735701.db2.gz NNMOXGPFOSOYTG-UHFFFAOYSA-N 2 0 332.492 1.960 20 0 EDADRP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C2CN(C)CC[NH+](C)C2)C1 ZINC000906206619 592758627 /nfs/dbraw/zinc/75/86/27/592758627.db2.gz DTHNNUBKRYXAKC-CALCHBBNSA-N 2 0 338.540 1.354 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)N1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000907878555 592826519 /nfs/dbraw/zinc/82/65/19/592826519.db2.gz SUBLPEYDIAOKIA-DMUMMCEESA-N 2 0 343.471 1.032 20 0 EDADRP CCc1nc[nH]c1C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000906472483 592833576 /nfs/dbraw/zinc/83/35/76/592833576.db2.gz QODIRIPPJKKEPD-UHFFFAOYSA-N 2 0 342.447 1.309 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)[C@H]1CCOC2(CCCC2)C1 ZINC000906580352 592857516 /nfs/dbraw/zinc/85/75/16/592857516.db2.gz MSQAEGWVECTNCJ-INIZCTEOSA-N 2 0 325.497 1.678 20 0 EDADRP CC1CC[NH+](CCNC(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)CC1 ZINC000906645416 592865839 /nfs/dbraw/zinc/86/58/39/592865839.db2.gz LZPWCONUMJJZIZ-UHFFFAOYSA-N 2 0 346.475 1.667 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)C(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000911054941 592911337 /nfs/dbraw/zinc/91/13/37/592911337.db2.gz LMALPYPFXSWZTD-HZPDHXFCSA-N 2 0 338.496 1.016 20 0 EDADRP COc1ccccc1[C@H]([NH3+])CNC(=O)[C@@]1(c2ccccc2)C[C@H]([NH3+])C1 ZINC000911665878 592973717 /nfs/dbraw/zinc/97/37/17/592973717.db2.gz UTAKIQXTQCAORO-WRWLIDTKSA-N 2 0 339.439 1.870 20 0 EDADRP [NH3+][C@H](CC(=O)N1CC[NH2+]CC1)Cc1ccc(Br)cc1 ZINC000911647237 592975758 /nfs/dbraw/zinc/97/57/58/592975758.db2.gz VVACXNIMQHAJBY-ZDUSSCGKSA-N 2 0 326.238 1.141 20 0 EDADRP C[NH2+]C1CC(C(=O)Nc2ccccc2C(=O)OC2CC[NH2+]CC2)C1 ZINC000911745543 592996098 /nfs/dbraw/zinc/99/60/98/592996098.db2.gz QESVAFFTPWLKPY-UHFFFAOYSA-N 2 0 331.416 1.532 20 0 EDADRP COc1cccc2c1CC[C@]2([NH3+])C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911765406 593000033 /nfs/dbraw/zinc/00/00/33/593000033.db2.gz UPRAWXMYDUGUEV-VQIMIIECSA-N 2 0 325.412 1.612 20 0 EDADRP CC[C@H]1CCC[N@@H+]1CN1C(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1=O ZINC000839986603 593294466 /nfs/dbraw/zinc/29/44/66/593294466.db2.gz DXEYWFVNDTXSBN-OKZBNKHCSA-N 2 0 341.455 1.935 20 0 EDADRP C[C@@H]1CCC[N@@H+]1CCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000839727497 593374786 /nfs/dbraw/zinc/37/47/86/593374786.db2.gz FNMBNSZECXDCGW-ZBFHGGJFSA-N 2 0 325.522 1.804 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)NC[C@H]1C[NH+]2CCC[C@@H]2CO1 ZINC000811875064 593484929 /nfs/dbraw/zinc/48/49/29/593484929.db2.gz JONLRUPRGCAEEV-XHSDSOJGSA-N 2 0 326.485 1.269 20 0 EDADRP NS(=O)(=O)CC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000813370979 593529965 /nfs/dbraw/zinc/52/99/65/593529965.db2.gz MXAGYYBWRGPLIF-UHFFFAOYSA-N 2 0 337.489 1.263 20 0 EDADRP C[C@@H]([NH2+]C1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CCCC[NH2+]1 ZINC000817901007 593646975 /nfs/dbraw/zinc/64/69/75/593646975.db2.gz YINMKNGUQORRNM-ZYHUDNBSSA-N 2 0 343.415 1.421 20 0 EDADRP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1cc(Br)ncc1F ZINC000817937656 593650511 /nfs/dbraw/zinc/65/05/11/593650511.db2.gz YXMMWMDOJUIHOR-NSHDSACASA-N 2 0 345.260 1.929 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000818963131 593730623 /nfs/dbraw/zinc/73/06/23/593730623.db2.gz HUALFKJGRHJJBI-ILXRZTDVSA-N 2 0 327.469 1.479 20 0 EDADRP C[C@H](CN1CC[NH+](C)CC1)[NH2+]C[C@@H](O)c1ccc(F)cc1Cl ZINC000819034704 593734913 /nfs/dbraw/zinc/73/49/13/593734913.db2.gz QCQWGMMBBMOAPW-MLGOLLRUSA-N 2 0 329.847 1.738 20 0 EDADRP C[N@H+](C[C@@H](O)CNc1cccc2c1CC[NH+](CC(C)(C)O)C2)C1CC1 ZINC000819469091 593755952 /nfs/dbraw/zinc/75/59/52/593755952.db2.gz XIXUCIPAXLVCNR-KRWDZBQOSA-N 2 0 347.503 1.683 20 0 EDADRP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3cc(-c4nn[nH]n4)cs3)C2)CC1 ZINC000821621797 593883864 /nfs/dbraw/zinc/88/38/64/593883864.db2.gz GVBDOUIJMVAHOM-CYBMUJFWSA-N 2 0 347.492 1.186 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1-c1nn[nH]n1 ZINC000821808360 593944946 /nfs/dbraw/zinc/94/49/46/593944946.db2.gz FKTDSTYZLKSTEK-CYBMUJFWSA-N 2 0 328.420 1.449 20 0 EDADRP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(-c3nn[nH]n3)cc2)[C@H](C)C1 ZINC000821252686 593997430 /nfs/dbraw/zinc/99/74/30/593997430.db2.gz AZKVGMZQWJAISA-XOKHGSTOSA-N 2 0 344.463 1.562 20 0 EDADRP C[C@H](C[NH2+][C@@H](C)c1ccc(-c2nn[nH]n2)cc1F)N1CC[NH+](C)CC1 ZINC000824569839 594039922 /nfs/dbraw/zinc/03/99/22/594039922.db2.gz KMKDAEWZFQGUCV-OLZOCXBDSA-N 2 0 347.442 1.292 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@H](O)C2)cc1 ZINC000824942559 594101753 /nfs/dbraw/zinc/10/17/53/594101753.db2.gz XAHPVYAWRSKMSB-RBUKOAKNSA-N 2 0 345.487 1.742 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc3c[nH]ccc-3n2)C[C@H]1C[NH+](C)C ZINC000827892523 594298679 /nfs/dbraw/zinc/29/86/79/594298679.db2.gz MEPLTPVUHBOPDT-HUUCEWRRSA-N 2 0 329.448 1.374 20 0 EDADRP Cc1cc([C@@H]([NH3+])CC(=O)NCCN2CCOC[C@H]2C)cc(Cl)n1 ZINC000828715350 594485615 /nfs/dbraw/zinc/48/56/15/594485615.db2.gz JCERAYCBYZQBBR-OCCSQVGLSA-N 2 0 340.855 1.270 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+](Cc4cccnc4)C3)CC[C@@H]21 ZINC000827340355 594662757 /nfs/dbraw/zinc/66/27/57/594662757.db2.gz ZJCPETOCEFRRJD-QRVBRYPASA-N 2 0 342.487 1.846 20 0 EDADRP CCO[C@H](CNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1)C[NH+](C)C ZINC000831719787 594695893 /nfs/dbraw/zinc/69/58/93/594695893.db2.gz UTUQDUCRIIBQMO-JKSUJKDBSA-N 2 0 343.537 1.287 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2[C@@H](O)c2ccccc2)C1 ZINC000841006535 594838257 /nfs/dbraw/zinc/83/82/57/594838257.db2.gz FJFGLWPIMPSBQZ-POAQFYNOSA-N 2 0 345.487 1.772 20 0 EDADRP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]CC2(COC)CC[NH2+]CC2)C1 ZINC000841068234 594846959 /nfs/dbraw/zinc/84/69/59/594846959.db2.gz LLCZOLVTBVBISR-UONOGXRCSA-N 2 0 348.434 1.959 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)NCc2ccc(CC[NH3+])cc2)C1 ZINC000841648710 594930939 /nfs/dbraw/zinc/93/09/39/594930939.db2.gz UHLLHCLSPWGXGO-GOSISDBHSA-N 2 0 348.491 1.344 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NCc2ccc(CC[NH3+])cc2)C[C@H](C)O1 ZINC000841676595 594934753 /nfs/dbraw/zinc/93/47/53/594934753.db2.gz XJXXRDTZDLFPPO-IYBDPMFKSA-N 2 0 348.491 1.486 20 0 EDADRP CC(C)(C)[NH+]1CCC(NC(=O)C(=O)NCCCCCC[NH3+])CC1 ZINC000843258801 595055058 /nfs/dbraw/zinc/05/50/58/595055058.db2.gz FZIDATLNURNVTN-UHFFFAOYSA-N 2 0 326.485 1.001 20 0 EDADRP [NH3+]C1(CNC(=O)c2cc[n+]([O-])cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000842513554 595124515 /nfs/dbraw/zinc/12/45/15/595124515.db2.gz YLFXMQMYOFKKNA-UHFFFAOYSA-N 2 0 340.427 1.043 20 0 EDADRP COc1cccc2cc(C[N@@H+]3CCC[C@H](C(=O)NCC[NH3+])C3)oc21 ZINC000843047961 595273747 /nfs/dbraw/zinc/27/37/47/595273747.db2.gz FAFVKHMEQUCOKZ-AWEZNQCLSA-N 2 0 331.416 1.728 20 0 EDADRP [NH3+]CCc1nc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cs1 ZINC000844169654 595289938 /nfs/dbraw/zinc/28/99/38/595289938.db2.gz BMKYWOOKDMSXRG-ZDUSSCGKSA-N 2 0 338.477 1.018 20 0 EDADRP NC(=O)COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000843125928 595292899 /nfs/dbraw/zinc/29/28/99/595292899.db2.gz CQGXDDARQLDTHB-IRXDYDNUSA-N 2 0 331.460 1.762 20 0 EDADRP CC[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000844185729 595295882 /nfs/dbraw/zinc/29/58/82/595295882.db2.gz PLMGZFSLYPRPSU-MRXNPFEDSA-N 2 0 332.448 1.401 20 0 EDADRP C[NH+]1CCN(c2ccccc2NC(=O)C[C@@H]2CSCC[NH2+]2)CC1 ZINC000844190566 595298121 /nfs/dbraw/zinc/29/81/21/595298121.db2.gz CDXBTAWDLJNYPT-CQSZACIVSA-N 2 0 334.489 1.472 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)CO[C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000844192454 595298616 /nfs/dbraw/zinc/29/86/16/595298616.db2.gz SHYXRVSDRZWBGF-GOSISDBHSA-N 2 0 346.475 1.141 20 0 EDADRP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCC(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000846708890 595304980 /nfs/dbraw/zinc/30/49/80/595304980.db2.gz XLGUHUMVWXOFIU-CVEARBPZSA-N 2 0 346.475 1.663 20 0 EDADRP C[C@@]1(C[NH3+])CCN(CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000844223700 595307783 /nfs/dbraw/zinc/30/77/83/595307783.db2.gz GZBUKTLRFABDLL-SFHVURJKSA-N 2 0 332.448 1.132 20 0 EDADRP C[N@@H+]1CC[C@@]2(CC[NH+](C[C@@]3(O)CCN(C(=O)OC(C)(C)C)C3)C2)C1 ZINC000846920130 595337358 /nfs/dbraw/zinc/33/73/58/595337358.db2.gz UNJPABWHZNDEDD-MSOLQXFVSA-N 2 0 339.480 1.386 20 0 EDADRP COC(=O)/C=C/c1ccc(C[NH2+]CC2(O)CC[NH+](C(C)C)CC2)o1 ZINC000848897105 595464112 /nfs/dbraw/zinc/46/41/12/595464112.db2.gz FDDNBBGXYUCPOB-VOTSOKGWSA-N 2 0 336.432 1.791 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](CCCNC(=[NH2+])Nc2ccc3c(c2)CCC3)C1 ZINC000849072913 595478274 /nfs/dbraw/zinc/47/82/74/595478274.db2.gz QLUOXADZAIRGBY-MRXNPFEDSA-N 2 0 343.475 1.699 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])NCC[C@H]1COc2ccccc2O1 ZINC000849096566 595481468 /nfs/dbraw/zinc/48/14/68/595481468.db2.gz VSNYQHYBFRIECQ-CABCVRRESA-N 2 0 332.448 1.815 20 0 EDADRP CC[NH+](CC)CCCNC(=O)[C@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849485919 595548004 /nfs/dbraw/zinc/54/80/04/595548004.db2.gz YXEJOLZWKSLLSI-IRXDYDNUSA-N 2 0 335.496 1.304 20 0 EDADRP CC(C)[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C(C)C)C[C@@H]1c1cnn(C)c1 ZINC000849541160 595561206 /nfs/dbraw/zinc/56/12/06/595561206.db2.gz LGWGVQRURRQOHI-ZWKOTPCHSA-N 2 0 349.523 1.690 20 0 EDADRP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@H+](C)C[C@H]2c2cnn(C)c2)c1 ZINC000849571766 595574725 /nfs/dbraw/zinc/57/47/25/595574725.db2.gz IHWNWVJTQYLIJU-CVEARBPZSA-N 2 0 342.447 1.555 20 0 EDADRP C[C@@H]1[C@H](C)N(C(=O)[C@@H]2CC[NH+](C)C[C@@H]2c2cnn(C)c2)CC[N@H+]1C ZINC000849571404 595575478 /nfs/dbraw/zinc/57/54/78/595575478.db2.gz IMUGVZKWIGQBSW-YALNPMBYSA-N 2 0 333.480 1.006 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C)C[C@H]1c1cnn(C)c1 ZINC000849582072 595581819 /nfs/dbraw/zinc/58/18/19/595581819.db2.gz KOIMCJVTTYGMQX-SJORKVTESA-N 2 0 335.496 1.256 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](C(=O)NC[C@@H](C)C[NH+](C)C)[C@H](c2cnn(C)c2)C1 ZINC000849598341 595588089 /nfs/dbraw/zinc/58/80/89/595588089.db2.gz ZQBXXIKKNGSHFU-NXHRZFHOSA-N 2 0 349.523 1.548 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852870529 595590291 /nfs/dbraw/zinc/59/02/91/595590291.db2.gz DGWXDCIJHKGPDA-FVQBIDKESA-N 2 0 330.432 1.117 20 0 EDADRP O=C(C=C1CC[NH2+]CC1)NC[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000852882065 595596875 /nfs/dbraw/zinc/59/68/75/595596875.db2.gz XBJNSCQDYWSJTE-AEFFLSMTSA-N 2 0 331.435 1.945 20 0 EDADRP [NH3+]CCCCCC(=O)N1CCC[C@H](c2cc(N3CC[NH2+]CC3)n[nH]2)C1 ZINC000852929663 595618691 /nfs/dbraw/zinc/61/86/91/595618691.db2.gz APLQTLCOGJFIDW-HNNXBMFYSA-N 2 0 348.495 1.044 20 0 EDADRP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853110215 595667108 /nfs/dbraw/zinc/66/71/08/595667108.db2.gz XDGZQWSHJVCEDV-AZUAARDMSA-N 2 0 341.455 1.862 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000853307081 595732445 /nfs/dbraw/zinc/73/24/45/595732445.db2.gz JHRKMBZWQYNONW-GOSISDBHSA-N 2 0 331.464 1.702 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@@H](C3CCC3)C1)C2=O ZINC000853589758 595817446 /nfs/dbraw/zinc/81/74/46/595817446.db2.gz ONNLCSFSHQVLOW-OAHLLOKOSA-N 2 0 334.464 1.472 20 0 EDADRP C[NH+]1CCC2(CC1)NC(=O)N(C[N@@H+]1CCC[C@H](C3CCC3)C1)C2=O ZINC000853589756 595817507 /nfs/dbraw/zinc/81/75/07/595817507.db2.gz ONNLCSFSHQVLOW-HNNXBMFYSA-N 2 0 334.464 1.472 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]CCCN2CC[NH+](C)CC2)CC1 ZINC000850422521 595831245 /nfs/dbraw/zinc/83/12/45/595831245.db2.gz SYPPJXLTIJXSQD-UHFFFAOYSA-N 2 0 326.485 1.271 20 0 EDADRP CCOC(=O)NC1CCC([NH2+]C[C@@H](C)N2CC[NH+](C)CC2)CC1 ZINC000850433761 595832778 /nfs/dbraw/zinc/83/27/78/595832778.db2.gz PRBABLWOTWKGRK-QQFBHYJXSA-N 2 0 326.485 1.269 20 0 EDADRP CO[C@@H]1CC[C@@H]([NH+]2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)C1 ZINC000851779925 595920464 /nfs/dbraw/zinc/92/04/64/595920464.db2.gz SOXFLFGJMZKAEQ-IAGOWNOFSA-N 2 0 339.524 1.970 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(CCn2cnc(Br)n2)C1 ZINC000851796164 595927085 /nfs/dbraw/zinc/92/70/85/595927085.db2.gz WLKNEARHOZMEBY-ZDUSSCGKSA-N 2 0 342.285 1.704 20 0 EDADRP CCC[N@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C)C[C@@H]1c1cnn(C)c1 ZINC000856280680 595941260 /nfs/dbraw/zinc/94/12/60/595941260.db2.gz BESQISRPWKEKGX-DLBZAZTESA-N 2 0 349.523 1.692 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCC(=O)N(C)C)C2)ccn1 ZINC000856597851 596029157 /nfs/dbraw/zinc/02/91/57/596029157.db2.gz CJGFALNZWLPJRH-SFHVURJKSA-N 2 0 348.491 1.853 20 0 EDADRP CC(C)[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC3(CO)COC3)C2)ccn1 ZINC000856599937 596030405 /nfs/dbraw/zinc/03/04/05/596030405.db2.gz PDEYFYKFOONDDE-SFHVURJKSA-N 2 0 349.475 1.384 20 0 EDADRP CCOP(=O)(OCC)[C@H](O)C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000852107880 596046605 /nfs/dbraw/zinc/04/66/05/596046605.db2.gz QEMYLGFNZCCLHM-LSDHHAIUSA-N 2 0 334.397 1.989 20 0 EDADRP CC(C)COC(=O)N1CCC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000852750336 596237850 /nfs/dbraw/zinc/23/78/50/596237850.db2.gz QLCPXLCIGVTAOU-OAHLLOKOSA-N 2 0 325.453 1.308 20 0 EDADRP CO[C@@H](C[N@@H+]1CC[C@H](N2C(=O)O[C@H]3C[NH2+]C[C@H]32)C1)C1CCCCC1 ZINC000866712266 596305106 /nfs/dbraw/zinc/30/51/06/596305106.db2.gz SBMBPJJQEQXMLL-YVSFHVDLSA-N 2 0 337.464 1.449 20 0 EDADRP CC1([NH3+])CCN(C(=O)[C@@H]([NH3+])c2cccc(Br)c2)CC1 ZINC000870939892 596413498 /nfs/dbraw/zinc/41/34/98/596413498.db2.gz FGBGPUMPWRRWEU-LBPRGKRZSA-N 2 0 326.238 1.789 20 0 EDADRP Cc1c(C(=O)N2CC[C@](C[NH3+])(C(C)(C)C)C2)nnn1C1CC[NH2+]CC1 ZINC000870991753 596431840 /nfs/dbraw/zinc/43/18/40/596431840.db2.gz HDTHXMOHQQOHIV-GOSISDBHSA-N 2 0 348.495 1.348 20 0 EDADRP Cc1cc(CNC(=S)N(CCC[NH+](C)C)CCC[NH+](C)C)no1 ZINC000865227424 596517610 /nfs/dbraw/zinc/51/76/10/596517610.db2.gz PVNXXHJESCUOGZ-UHFFFAOYSA-N 2 0 341.525 1.563 20 0 EDADRP COCC[C@H](C[NH2+]CC1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000865450150 596578621 /nfs/dbraw/zinc/57/86/21/596578621.db2.gz LTAUPGPGYPBSQH-OAHLLOKOSA-N 2 0 329.485 1.848 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(C[NH3+])cc2)C[C@H]1C[NH+](C)C ZINC000868167513 596708078 /nfs/dbraw/zinc/70/80/78/596708078.db2.gz RSDFVOFGFJSHHS-HZPDHXFCSA-N 3 0 333.480 1.348 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)Nc3ccc([C@H]4C[NH2+]CCO4)cc3)CC[C@H]21 ZINC000868171767 596710178 /nfs/dbraw/zinc/71/01/78/596710178.db2.gz TUAXWZNWXBYEEM-KBAYOESNSA-N 2 0 344.459 1.905 20 0 EDADRP Cn1ncc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C(F)F ZINC000870021697 596712435 /nfs/dbraw/zinc/71/24/35/596712435.db2.gz IUZGXYUYSJYZTF-VXGBXAGGSA-N 2 0 343.422 1.169 20 0 EDADRP C[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000870023480 596713329 /nfs/dbraw/zinc/71/33/29/596713329.db2.gz ZXFRBFJZOWYRRY-UYTYNIKBSA-N 3 0 338.540 1.446 20 0 EDADRP Cc1cc(C)n([C@H](C)CC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)n1 ZINC000870023531 596713855 /nfs/dbraw/zinc/71/38/55/596713855.db2.gz BSVIDFMVIGXXRW-KZNAEPCWSA-N 2 0 349.523 1.649 20 0 EDADRP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000868184562 596714715 /nfs/dbraw/zinc/71/47/15/596714715.db2.gz ANDCRFZXBUQRJD-OKZBNKHCSA-N 2 0 346.475 1.860 20 0 EDADRP COc1ncccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866041621 596770007 /nfs/dbraw/zinc/77/00/07/596770007.db2.gz WZNGNUMPMXSLMH-ZIAGYGMSSA-N 2 0 335.452 1.293 20 0 EDADRP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)C(=O)Nc2ccc3nccn3c2)C1 ZINC000868312048 596783997 /nfs/dbraw/zinc/78/39/97/596783997.db2.gz JPQAWTUNDNIRCA-GOSISDBHSA-N 2 0 343.431 1.496 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)N2CC[C@H]3[C@H](CC[N@@H+]3C)C2)CCSC1 ZINC000868356517 596798942 /nfs/dbraw/zinc/79/89/42/596798942.db2.gz ZBSLBBQVCWLBKX-IJEWVQPXSA-N 2 0 326.510 1.159 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1COc2ccccc2O1)[N@H+](C)CCCCCC[NH3+] ZINC000872155004 596815823 /nfs/dbraw/zinc/81/58/23/596815823.db2.gz JGKNIEVDTIVGQW-HOTGVXAUSA-N 2 0 349.475 1.782 20 0 EDADRP CN(C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)C1CC[NH+](CCc2ccccn2)CC1 ZINC000872280853 596865655 /nfs/dbraw/zinc/86/56/55/596865655.db2.gz PNUCDZCNXJBXDW-GUXCAODWSA-N 2 0 342.487 1.674 20 0 EDADRP C[NH+](C)CCNC(=O)c1ccc(NC(=O)[C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000872307272 596875982 /nfs/dbraw/zinc/87/59/82/596875982.db2.gz PCFZHQSQVKBMMA-SJORKVTESA-N 2 0 346.475 1.824 20 0 EDADRP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2O)CC1 ZINC000866492465 596893179 /nfs/dbraw/zinc/89/31/79/596893179.db2.gz HFBCIJOEYZHJOK-CVEARBPZSA-N 2 0 341.496 1.821 20 0 EDADRP CO[C@@H]([C@@H](C)NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C1CC1 ZINC000875645979 596932164 /nfs/dbraw/zinc/93/21/64/596932164.db2.gz BPUDAURXEHZUIQ-DZUCGIPZSA-N 2 0 340.512 1.181 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H](C2CC2)C2CCC2)C[C@H]1C[NH+](C)C ZINC000875656462 596935548 /nfs/dbraw/zinc/93/55/48/596935548.db2.gz JYXMJSUJPHQILQ-KZNAEPCWSA-N 2 0 336.524 1.946 20 0 EDADRP C[C@H]1CCC[C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)O1 ZINC000875741015 596968406 /nfs/dbraw/zinc/96/84/06/596968406.db2.gz YECJOVRQURFUGL-YLFCFFPRSA-N 2 0 340.512 1.325 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)C2 ZINC000874432182 597075916 /nfs/dbraw/zinc/07/59/16/597075916.db2.gz HWEXVTXVOLASHQ-HDMKZQKVSA-N 2 0 332.448 1.667 20 0 EDADRP C[C@H](CN1CCOCC1)N(C)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000876109634 597093941 /nfs/dbraw/zinc/09/39/41/597093941.db2.gz RGJAHIDEQSVQFX-KLHKWILBSA-N 2 0 340.512 1.611 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000876519410 597228134 /nfs/dbraw/zinc/22/81/34/597228134.db2.gz ZEZYMBHTSFYYNI-UHFFFAOYSA-N 2 0 345.443 1.924 20 0 EDADRP O=C(CC[NH2+]CC1CC1)Nc1ccccc1C(=O)OC1CC[NH2+]CC1 ZINC000876520075 597228395 /nfs/dbraw/zinc/22/83/95/597228395.db2.gz FDUZRROAMGJQOY-UHFFFAOYSA-N 2 0 345.443 1.924 20 0 EDADRP COCCOCC[N@H+](C)CCC(=O)N1CCCc2cc(C[NH3+])ccc21 ZINC000876530240 597231595 /nfs/dbraw/zinc/23/15/95/597231595.db2.gz ROELLTIWIMBTBW-UHFFFAOYSA-N 2 0 349.475 1.409 20 0 EDADRP C[C@@H]1C[C@H](C[N@@H+]2CCC[C@@H](C(=O)N[C@@H]3CCC[C@@H](O)C3)C2)CC[NH2+]1 ZINC000873226718 597233355 /nfs/dbraw/zinc/23/33/55/597233355.db2.gz ACIOPHLXACVQJX-DUQPFJRNSA-N 2 0 337.508 1.506 20 0 EDADRP C[N@@H+]1CCN(C(=O)NCC(C)(C)N2CCOCC2)CCC1(C)C ZINC000874996039 597236369 /nfs/dbraw/zinc/23/63/69/597236369.db2.gz CQMLTRDJKJTQHZ-UHFFFAOYSA-N 2 0 326.485 1.223 20 0 EDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCOc2ccccc2)C[C@H]1C[NH+](C)C ZINC000874996425 597236575 /nfs/dbraw/zinc/23/65/75/597236575.db2.gz HULIQEPHAHIZQX-IAGOWNOFSA-N 2 0 348.491 1.446 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccc(C)cc2)CCO1 ZINC000873267372 597244008 /nfs/dbraw/zinc/24/40/08/597244008.db2.gz YSLGKLQRWWHIMW-OALUTQOASA-N 2 0 335.492 1.539 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CC[C@H]3[C@H](CC[NH+]3C)C2)C1 ZINC000875014079 597244068 /nfs/dbraw/zinc/24/40/68/597244068.db2.gz GVQCODJIRPKIOG-ZACQAIPSSA-N 2 0 338.496 1.079 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000873310474 597252793 /nfs/dbraw/zinc/25/27/93/597252793.db2.gz LIYITESQDSOAIP-YJBOKZPZSA-N 2 0 345.447 1.253 20 0 EDADRP Cc1ccccc1C[N@H+]1CCCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000876717728 597302233 /nfs/dbraw/zinc/30/22/33/597302233.db2.gz GJVVFVNXTRTFLR-UHFFFAOYSA-N 2 0 341.459 1.535 20 0 EDADRP C/C=C/[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876726043 597307379 /nfs/dbraw/zinc/30/73/79/597307379.db2.gz UOBAKXOCRXVGOD-VEODVNFMSA-N 2 0 343.471 1.994 20 0 EDADRP C/C=C\[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1cccc(C[NH+]2CCC(O)CC2)c1 ZINC000876726042 597307526 /nfs/dbraw/zinc/30/75/26/597307526.db2.gz UOBAKXOCRXVGOD-LCGFHZEESA-N 2 0 343.471 1.994 20 0 EDADRP CC1CC[NH+](C[C@H]2CCCN(C(=O)c3c(C[NH3+])cnn3C)C2)CC1 ZINC000876742230 597316557 /nfs/dbraw/zinc/31/65/57/597316557.db2.gz WAENDCBSPPHPBE-OAHLLOKOSA-N 2 0 333.480 1.463 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@@H]([NH3+])C2(C)C)[C@@H](C)C1 ZINC000876765219 597329423 /nfs/dbraw/zinc/32/94/23/597329423.db2.gz QIFOFTPYIAISMF-YHUYYLMFSA-N 2 0 325.497 1.613 20 0 EDADRP Cc1cnn([C@@H]2CCC[NH2+]C2)c1C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000876768348 597331577 /nfs/dbraw/zinc/33/15/77/597331577.db2.gz HZLRJZKNYFLZPN-HRCADAONSA-N 2 0 333.480 1.719 20 0 EDADRP CC1(C)[C@@H]([NH3+])C[C@@H]1C(=O)NCCN1CC[NH+](Cc2ccccc2)CC1 ZINC000876779528 597337617 /nfs/dbraw/zinc/33/76/17/597337617.db2.gz ILMOITOBPRQRBR-MSOLQXFVSA-N 2 0 344.503 1.294 20 0 EDADRP CC[C@@H]1CN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000876892315 597372613 /nfs/dbraw/zinc/37/26/13/597372613.db2.gz AXYYNBAJKFLAGF-PMPSAXMXSA-N 2 0 337.414 1.949 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)N2CCC3(CC2)CC[NH+](C)CC3)C1 ZINC000875308819 597379101 /nfs/dbraw/zinc/37/91/01/597379101.db2.gz NOMNRAPGHINKHI-MRXNPFEDSA-N 2 0 338.496 1.225 20 0 EDADRP [NH3+]C1(CNC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000876921300 597385901 /nfs/dbraw/zinc/38/59/01/597385901.db2.gz ASMFTWTWEWABJR-SJORKVTESA-N 3 0 348.466 1.044 20 0 EDADRP O=C(/C=C/[C@@H]1CCC[NH2+]C1)N[C@H]1C[NH2+]CC[C@H]1c1cccc(F)c1 ZINC000876964526 597399471 /nfs/dbraw/zinc/39/94/71/597399471.db2.gz IFCDMTVUYBFMMM-IJPMPJFZSA-N 2 0 331.435 1.943 20 0 EDADRP O=C(/C=C/CN1CCOCC1)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000876968085 597400890 /nfs/dbraw/zinc/40/08/90/597400890.db2.gz DWBAJFWANPKJQX-IMLGJKEDSA-N 2 0 331.416 1.174 20 0 EDADRP [NH3+][C@@H](C(=O)N[C@@H]1CC[NH2+]C12CCC2)c1cccc(Br)c1 ZINC000877004975 597409728 /nfs/dbraw/zinc/40/97/28/597409728.db2.gz OMNCMHKGENQEDB-CHWSQXEVSA-N 2 0 338.249 1.850 20 0 EDADRP Cc1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2C(=O)CN1CC[NH2+]CC1 ZINC000877030353 597416364 /nfs/dbraw/zinc/41/63/64/597416364.db2.gz DSWAYTWRGGFVBJ-SJLPKXTDSA-N 2 0 328.460 1.035 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000877132744 597439640 /nfs/dbraw/zinc/43/96/40/597439640.db2.gz MIVJZTXKBWZAAA-INIZCTEOSA-N 2 0 325.497 1.583 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)N2CCC3(CC2)CC[NH+](C)CC3)c1 ZINC000877192578 597457363 /nfs/dbraw/zinc/45/73/63/597457363.db2.gz OTZGIPWDRDEWDX-GOSISDBHSA-N 2 0 345.487 1.899 20 0 EDADRP O=C(NCCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000877201983 597460677 /nfs/dbraw/zinc/46/06/77/597460677.db2.gz VBLBZEBMSWRVGO-BWTSREIZSA-N 2 0 327.472 1.870 20 0 EDADRP C[N@@H+]1CCN(C(=O)c2cn([C@@H]3CCC[NH2+]CC3)nn2)CCC1(C)C ZINC000877206796 597461984 /nfs/dbraw/zinc/46/19/84/597461984.db2.gz QGHTYEPYYNLOKT-CQSZACIVSA-N 2 0 334.468 1.149 20 0 EDADRP C[NH+]1CCC(CNC(=O)C[C@H]2COCC[NH2+]2)(c2ccccc2)CC1 ZINC000877224784 597466895 /nfs/dbraw/zinc/46/68/95/597466895.db2.gz OOJDRTPKYVRDJC-KRWDZBQOSA-N 2 0 331.460 1.145 20 0 EDADRP C[NH+]1CCC(CNC(=O)C[NH2+]C[C@H]2CCCO2)(c2ccccc2)CC1 ZINC000877226761 597467368 /nfs/dbraw/zinc/46/73/68/597467368.db2.gz KOOFEJHRPQUVOU-GOSISDBHSA-N 2 0 345.487 1.535 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)[C@@H]([NH3+])c3ccc(C)cc3)C[C@H]2[NH3+])cc1 ZINC000877238024 597474177 /nfs/dbraw/zinc/47/41/77/597474177.db2.gz UAUANMLQGQYSSJ-OTWHNJEPSA-N 2 0 339.439 1.957 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)C[C@@H](C[NH3+])CC(C)C)C[C@H]2[NH3+])cc1 ZINC000877239723 597475400 /nfs/dbraw/zinc/47/54/00/597475400.db2.gz SLAGDMWNABHOSC-JCGIZDLHSA-N 2 0 333.476 1.959 20 0 EDADRP COc1ccc([C@@H]2CN(C(=O)CCC34CC(C3)C[NH2+]4)C[C@H]2[NH3+])cc1 ZINC000877240045 597475489 /nfs/dbraw/zinc/47/54/89/597475489.db2.gz YUJYODKPBAROIG-UVSGXRLASA-N 2 0 329.444 1.481 20 0 EDADRP Cc1cnn([C@H]2CCC[NH2+]C2)c1C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000877249757 597479422 /nfs/dbraw/zinc/47/94/22/597479422.db2.gz CSKBRPZUOPPZLT-JKSUJKDBSA-N 2 0 333.480 1.528 20 0 EDADRP O=C(NC[C@H]1Cc2ccccc2C[NH2+]1)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000877340461 597495484 /nfs/dbraw/zinc/49/54/84/597495484.db2.gz JPCHUKHJRAOEAO-MSOLQXFVSA-N 2 0 339.443 1.252 20 0 EDADRP C[C@]12C[NH2+]C[C@H]1CN(C(=O)[C@H]([NH3+])c1cccc(Br)c1)C2 ZINC000877372163 597503634 /nfs/dbraw/zinc/50/36/34/597503634.db2.gz ZWYVOPUISSWPEN-NJZAAPMLSA-N 2 0 338.249 1.517 20 0 EDADRP C[C@H](CCc1cccnc1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000877548670 597534145 /nfs/dbraw/zinc/53/41/45/597534145.db2.gz QTXCOQIJUDGDIG-QGZVFWFLSA-N 2 0 332.492 1.985 20 0 EDADRP COCC[N@@H+](Cc1ccc2c(c1)NC(=O)CO2)CC1CC[NH+](C)CC1 ZINC000877664507 597546085 /nfs/dbraw/zinc/54/60/85/597546085.db2.gz QAPLCXXEYMYQPE-UHFFFAOYSA-N 2 0 347.459 1.808 20 0 EDADRP Cn1ncc2cc(CN3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cnc21 ZINC000877670338 597546543 /nfs/dbraw/zinc/54/65/43/597546543.db2.gz KEKHOHKPKFXFRF-IAGOWNOFSA-N 2 0 330.480 1.140 20 0 EDADRP C[NH+]1CCC(NC(=O)C[NH2+][C@]2(CO)CCCc3ccccc32)CC1 ZINC000878554387 597633874 /nfs/dbraw/zinc/63/38/74/597633874.db2.gz AUEGJPLKCJGQRI-IBGZPJMESA-N 2 0 331.460 1.011 20 0 EDADRP CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](C)[NH+]1CCc2ccccc2C1 ZINC000883142452 597665595 /nfs/dbraw/zinc/66/55/95/597665595.db2.gz JEOMJJTYKOOOKG-YJBOKZPZSA-N 2 0 330.476 1.827 20 0 EDADRP CCN1CC[NH+](CCCC[NH2+][C@@H](COC)[C@@H]2CCCOC2)CC1 ZINC000883172532 597676916 /nfs/dbraw/zinc/67/69/16/597676916.db2.gz KPDBUZYCPUTYMG-MSOLQXFVSA-N 2 0 327.513 1.435 20 0 EDADRP [NH3+]CCNC(=O)[C@@H]1CCC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC000883416740 597739325 /nfs/dbraw/zinc/73/93/25/597739325.db2.gz CRXGAGAEBGPJDZ-SQNIBIBYSA-N 2 0 331.460 1.694 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H]2CC[NH+]2CC)[C@@H](C)C1 ZINC000883420324 597740470 /nfs/dbraw/zinc/74/04/70/597740470.db2.gz IINRPFSPTBHKMJ-ULQDDVLXSA-N 2 0 340.512 1.517 20 0 EDADRP CC1(C)CCC[C@@H](C[NH+]2CCC(N3C(=O)O[C@H]4C[NH2+]C[C@H]43)CC2)O1 ZINC000883437590 597746752 /nfs/dbraw/zinc/74/67/52/597746752.db2.gz WGWPOJNIQJAMHZ-XHSDSOJGSA-N 2 0 337.464 1.591 20 0 EDADRP O=C(C[C@@H]1CC[NH2+]C1)Nc1ccc(C(=O)OC2CC[NH2+]CC2)cc1 ZINC000127635289 597874158 /nfs/dbraw/zinc/87/41/58/597874158.db2.gz YGIXJRLZNILWFF-ZDUSSCGKSA-N 2 0 331.416 1.534 20 0 EDADRP C[C@@H]1C[N@H+](CCc2nnnn2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000880262405 597886902 /nfs/dbraw/zinc/88/69/02/597886902.db2.gz YWAOTFSCMANMBY-MRXNPFEDSA-N 2 0 349.442 1.811 20 0 EDADRP O=S(=O)(CCn1ccnc1)NC[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000882500094 597979146 /nfs/dbraw/zinc/97/91/46/597979146.db2.gz MRWHYINQLMLGQV-MRXNPFEDSA-N 2 0 340.493 1.600 20 0 EDADRP [NH3+][C@H](C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000884267400 598048706 /nfs/dbraw/zinc/04/87/06/598048706.db2.gz FHWQIXWDCKDVIH-UPJWGTAASA-N 2 0 326.238 1.835 20 0 EDADRP C[NH2+]CCOc1cccc(C(=O)NC[C@@H]2[NH2+]CCc3ccccc32)c1 ZINC000884284749 598054289 /nfs/dbraw/zinc/05/42/89/598054289.db2.gz RJYCBBPFJMRGND-IBGZPJMESA-N 2 0 339.439 1.902 20 0 EDADRP CC1(C)C[NH2+]C[C@H]1C(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000884369615 598083763 /nfs/dbraw/zinc/08/37/63/598083763.db2.gz KCCKKDBDECUEDI-OKZBNKHCSA-N 2 0 327.472 1.965 20 0 EDADRP CN(C(=O)[C@@H]([NH3+])Cc1cc2ccccc2o1)[C@@H]1C[NH+]2CCC1CC2 ZINC000884452976 598109480 /nfs/dbraw/zinc/10/94/80/598109480.db2.gz BRLQFOSTZGOWSR-DLBZAZTESA-N 2 0 327.428 1.855 20 0 EDADRP [NH3+]CC12CCC(CC1)N2C(=O)[C@@H]([NH3+])c1ccc(Br)cc1 ZINC000884460602 598111036 /nfs/dbraw/zinc/11/10/36/598111036.db2.gz FRQVZIWIHKDKEE-OWYJLGKBSA-N 2 0 338.249 1.931 20 0 EDADRP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000884517615 598126373 /nfs/dbraw/zinc/12/63/73/598126373.db2.gz SHXYZENSEVVKFU-RHSMWYFYSA-N 2 0 346.475 1.091 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(S(=O)(=O)C[C@@]23CC[NH+](C2)CCC3)C1 ZINC000914205652 695276606 /nfs/dbraw/zinc/27/66/06/695276606.db2.gz WFDVYJPXWCGOTQ-HOTGVXAUSA-N 2 0 329.510 1.076 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)NCc2nc(CN(C)C)cs2)C1 ZINC000914337488 695369478 /nfs/dbraw/zinc/36/94/78/695369478.db2.gz NOJDDMXEJACCDN-CYBMUJFWSA-N 2 0 339.509 1.736 20 0 EDADRP O=C(C[NH+]1CCCC1)N1C[C@@H]2CCC[C@H]([NH2+]Cc3cnns3)[C@H]2C1 ZINC000992903426 695439884 /nfs/dbraw/zinc/43/98/84/695439884.db2.gz BDEXFUWHFXBEBB-BPUTZDHNSA-N 2 0 349.504 1.351 20 0 EDADRP C[C@@H]1CN(C(=O)c2ccn(CC[NH+](C)C)n2)CCN1c1cc[nH+]cc1 ZINC000915261491 695775487 /nfs/dbraw/zinc/77/54/87/695775487.db2.gz KXNPGJPXRCLTRD-OAHLLOKOSA-N 2 0 342.447 1.191 20 0 EDADRP CCCC[N@@H+]1CCCC[C@H]1C(=O)NC1CN(CC[C@H]2CCOC2)C1 ZINC001031234698 695929819 /nfs/dbraw/zinc/92/98/19/695929819.db2.gz GQKYSFZEEGILFQ-WMZOPIPTSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1[C@H](NC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1CCOC1CCC1 ZINC000993759666 696352551 /nfs/dbraw/zinc/35/25/51/696352551.db2.gz MCAGODVMRNSELA-CRAIPNDOSA-N 2 0 337.508 1.866 20 0 EDADRP C[C@@H]1[C@H](NC(=O)Cc2cncn2C)CCC[N@@H+]1CCC1CCOCC1 ZINC000994233069 696593322 /nfs/dbraw/zinc/59/33/22/696593322.db2.gz RECTWJCRYLWZTK-CRAIPNDOSA-N 2 0 348.491 1.748 20 0 EDADRP CCC(CC)[C@@H](CNC(=S)NCCC[NH+](C)C)[NH+]1CCOCC1 ZINC000916008324 696611233 /nfs/dbraw/zinc/61/12/33/696611233.db2.gz JIYBNVRLRNUWBC-MRXNPFEDSA-N 2 0 344.569 1.539 20 0 EDADRP C[C@H]1[C@H](NC(=O)C23CC[NH+](CC2)C3)CCC[N@@H+]1CCc1ccnn1C ZINC000994252532 696648800 /nfs/dbraw/zinc/64/88/00/696648800.db2.gz MEPCHNYLNRGATK-DOTOQJQBSA-N 2 0 345.491 1.028 20 0 EDADRP CCCn1ncnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000940007992 700109513 /nfs/dbraw/zinc/10/95/13/700109513.db2.gz CTZCHWFFJZRHEY-HNNXBMFYSA-N 2 0 348.495 1.253 20 0 EDADRP C[C@@H](CNC(=O)N[C@H](CC[NH+](C)C)c1cccnc1)[N@H+](C)C1CC1 ZINC000916851606 696793132 /nfs/dbraw/zinc/79/31/32/696793132.db2.gz RBXGYZYUTCCVNI-WMLDXEAASA-N 2 0 333.480 1.856 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)NC[C@@H]2CC[NH+]2C2CCOCC2)C1 ZINC000916841701 696796526 /nfs/dbraw/zinc/79/65/26/696796526.db2.gz HACYSCSZKFMKDI-WBVHZDCISA-N 2 0 338.496 1.271 20 0 EDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cc3n(n2)CCC3)CC1 ZINC000940008468 700110302 /nfs/dbraw/zinc/11/03/02/700110302.db2.gz ODOGJNWVCMYGFO-KRWDZBQOSA-N 2 0 345.491 1.394 20 0 EDADRP CC1([NH+]2CCC2)CCC(NC(=O)NC2CC[NH+](CCO)CC2)CC1 ZINC000917842524 697086798 /nfs/dbraw/zinc/08/67/98/697086798.db2.gz JFVPKSOYNSWKDT-UHFFFAOYSA-N 2 0 338.496 1.149 20 0 EDADRP C[N@@H+]1CC[C@@H]1CNC(=O)NCC1([NH+]2CCSCC2)CCCCC1 ZINC000918129242 697134690 /nfs/dbraw/zinc/13/46/90/697134690.db2.gz QJJYVIANQNGBEG-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP CCN1CCO[C@H](CNC(=O)N2CC[N@H+](C)C[C@H]2CC(C)C)C1 ZINC000919127187 697246814 /nfs/dbraw/zinc/24/68/14/697246814.db2.gz OOIFHVPYMDAFAV-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP CCO[C@H](CNC(=O)NCC[N@@H+]1CCCC[C@@H]1CC)C[NH+](C)C ZINC000919528618 697295201 /nfs/dbraw/zinc/29/52/01/697295201.db2.gz NFNZJFNFKHPNPF-JKSUJKDBSA-N 2 0 328.501 1.517 20 0 EDADRP C[C@@H]1[C@H](NC(=O)NCC2([NH+](C)C)Cc3ccccc3C2)CC[N@@H+]1C ZINC000920266846 697417254 /nfs/dbraw/zinc/41/72/54/697417254.db2.gz XZWNUFCNDKEVFW-RHSMWYFYSA-N 2 0 330.476 1.477 20 0 EDADRP O=C(NCC1C[NH+](CC2CC(F)(F)C2)C1)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC001031669450 697464619 /nfs/dbraw/zinc/46/46/19/697464619.db2.gz KHPWVKAZTCWFQW-HZPDHXFCSA-N 2 0 341.446 1.954 20 0 EDADRP O=C(NCC1C[NH+](CC2CCCCCC2)C1)[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC001031689610 697531219 /nfs/dbraw/zinc/53/12/19/697531219.db2.gz XKBWPJGBVACAIG-RBUKOAKNSA-N 2 0 349.519 1.868 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1CN(Cc2oc(C)nc2C)C1 ZINC001031713746 697735510 /nfs/dbraw/zinc/73/55/10/697735510.db2.gz DTEYBZXIZCKIRH-INIZCTEOSA-N 2 0 334.464 1.714 20 0 EDADRP C[C@H]1CN(Cc2ccon2)CC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC000943285415 698043210 /nfs/dbraw/zinc/04/32/10/698043210.db2.gz ADHBWGGSUVMBMY-WMLDXEAASA-N 2 0 334.464 1.733 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000179892246 698418446 /nfs/dbraw/zinc/41/84/46/698418446.db2.gz SNDKZOJWPLYSEY-UHFFFAOYSA-N 2 0 329.448 1.224 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)NCC2C[NH+](CC[C@H]3CCOC3)C2)CC1 ZINC001032094086 698585666 /nfs/dbraw/zinc/58/56/66/698585666.db2.gz CYANJSTWNLRVNU-INIZCTEOSA-N 2 0 337.508 1.581 20 0 EDADRP CC[NH+]1CC(N2CCN(C(=O)c3ccccc3CC[NH+](C)C)CC2)C1 ZINC000941501386 701561293 /nfs/dbraw/zinc/56/12/93/701561293.db2.gz BSLXDIIJPCXEEI-UHFFFAOYSA-N 2 0 344.503 1.253 20 0 EDADRP O=C(NCC1CN(Cc2cccnc2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001031766669 699064634 /nfs/dbraw/zinc/06/46/34/699064634.db2.gz LKOZKVDZRJKFQG-ZWKOTPCHSA-N 2 0 328.460 1.647 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH]nc2c1C[NH2+]CC2 ZINC000446293373 699118687 /nfs/dbraw/zinc/11/86/87/699118687.db2.gz XKPSEBPFHQBHCQ-CQSZACIVSA-N 2 0 325.416 1.060 20 0 EDADRP CCc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]2C)o1 ZINC000939063863 699131183 /nfs/dbraw/zinc/13/11/83/699131183.db2.gz NHQLAUQTAWQMMK-CZUORRHYSA-N 2 0 348.491 1.824 20 0 EDADRP CN(C)c1cc(CN2CC(CNC(=O)[C@H]3CCCC[N@@H+]3C)C2)ccn1 ZINC001031776703 699168898 /nfs/dbraw/zinc/16/88/98/699168898.db2.gz MOZQTUCACDGVSH-QGZVFWFLSA-N 2 0 345.491 1.180 20 0 EDADRP C[C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@@H]1[NH2+]Cc1ccns1 ZINC000939138259 699217703 /nfs/dbraw/zinc/21/77/03/699217703.db2.gz VEAANBDRQPGVDI-HIFRSBDPSA-N 2 0 336.505 1.812 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)C[N@@H+]2CCC(C)(C)C2)C[C@H]1C ZINC000939132127 699230903 /nfs/dbraw/zinc/23/09/03/699230903.db2.gz FNXKCOPGQGQFBA-RHSMWYFYSA-N 2 0 347.507 1.397 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1C[NH+](CC[C@H]2CCOC2)C1 ZINC001031806600 699429652 /nfs/dbraw/zinc/42/96/52/699429652.db2.gz IDUVPZSSAIQKKA-WMZOPIPTSA-N 2 0 337.508 1.581 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]Cc1ccccn1 ZINC000939394370 699544385 /nfs/dbraw/zinc/54/43/85/699544385.db2.gz BMYMTTNQCUKQEB-SJLPKXTDSA-N 2 0 330.476 1.750 20 0 EDADRP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]Cc1cncn1C ZINC000939394915 699545002 /nfs/dbraw/zinc/54/50/02/699545002.db2.gz DSQDMLLHPBVFNI-RDJZCZTQSA-N 2 0 333.480 1.089 20 0 EDADRP CC(C)[NH+]1CC(N2CCN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)C1 ZINC000941636812 701602139 /nfs/dbraw/zinc/60/21/39/701602139.db2.gz VGGBVVFGSCHVOG-DLBZAZTESA-N 2 0 336.524 1.344 20 0 EDADRP CCn1ccnc1C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000995165410 701610746 /nfs/dbraw/zinc/61/07/46/701610746.db2.gz DQJIIKFDAJITGH-CVEARBPZSA-N 2 0 345.491 1.373 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCN(C2C[NH+](CCCF)C2)CC1 ZINC000941677435 701615880 /nfs/dbraw/zinc/61/58/80/701615880.db2.gz RDHRSQCWFOOGFH-HZPDHXFCSA-N 2 0 340.487 1.047 20 0 EDADRP Cn1ccnc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC000995003673 699888636 /nfs/dbraw/zinc/88/86/36/699888636.db2.gz BUVYQBUPEJHLPL-HZPDHXFCSA-N 2 0 345.491 1.423 20 0 EDADRP C[N@@H+]1CC[C@@H](C(=O)N2CCN(C3C[NH+](CCCC4CCC4)C3)CC2)C1 ZINC000941665507 701619494 /nfs/dbraw/zinc/61/94/94/701619494.db2.gz HEYGDNVRCRUXPR-GOSISDBHSA-N 2 0 348.535 1.347 20 0 EDADRP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1[NH2+]Cc1nc2ccccc2o1 ZINC000939757609 699924678 /nfs/dbraw/zinc/92/46/78/699924678.db2.gz YZDUIOVNISTRAD-GDBMZVCRSA-N 2 0 342.443 1.860 20 0 EDADRP CCn1nncc1C[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC000939810612 699958784 /nfs/dbraw/zinc/95/87/84/699958784.db2.gz OGVSZYLWNDNYNF-RDJZCZTQSA-N 2 0 348.495 1.111 20 0 EDADRP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCc1cnn(C)c1 ZINC000939810574 699958811 /nfs/dbraw/zinc/95/88/11/699958811.db2.gz NZAMXBXBGDXCPC-AEFFLSMTSA-N 2 0 347.507 1.275 20 0 EDADRP CC[C@H](C[NH+]1CC(CNC(=O)c2ccccc2CC[NH+](C)C)C1)OC ZINC001031875372 700352632 /nfs/dbraw/zinc/35/26/32/700352632.db2.gz PHIBQZPYNUCDCA-GOSISDBHSA-N 2 0 347.503 1.877 20 0 EDADRP C[C@H](F)CC[NH+]1CC(CNC(=O)[C@@H]2COCCN2CC2CCC2)C1 ZINC001031876339 700406463 /nfs/dbraw/zinc/40/64/63/700406463.db2.gz SOTLYHZUGAEFTK-YOEHRIQHSA-N 2 0 341.471 1.283 20 0 EDADRP Cc1nocc1C[N@H+]1CCC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000948245750 700457954 /nfs/dbraw/zinc/45/79/54/700457954.db2.gz SLYYJPLTHXSSJD-IRXDYDNUSA-N 2 0 334.464 1.890 20 0 EDADRP Cc1nccnc1C[NH2+]C1(C)CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000940327660 700504836 /nfs/dbraw/zinc/50/48/36/700504836.db2.gz MXWUWLBYTAEYJS-GOEBONIOSA-N 2 0 345.491 1.453 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C)([NH2+]Cc2ccc(F)cn2)CC1 ZINC000940329723 700509553 /nfs/dbraw/zinc/50/95/53/700509553.db2.gz XYNUYPHXCPEKQL-YOEHRIQHSA-N 2 0 348.466 1.889 20 0 EDADRP Cc1ncc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C34CC[NH+](CC3)C4)C2)o1 ZINC000995168162 701658563 /nfs/dbraw/zinc/65/85/63/701658563.db2.gz MVFUWFHYRYMNTL-CABCVRRESA-N 2 0 332.448 1.453 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]Cc2cnn(C)c2)CC1 ZINC000940472034 700657211 /nfs/dbraw/zinc/65/72/11/700657211.db2.gz GNCLBDWVJXRCLT-KRWDZBQOSA-N 2 0 347.507 1.765 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC(C)([NH2+]Cc3ncc(C4CC4)o3)CC2)C1 ZINC000940457548 700661263 /nfs/dbraw/zinc/66/12/63/700661263.db2.gz KGEPATXVSLKDCT-HNNXBMFYSA-N 2 0 346.475 1.974 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]Cc3ccns3)C2)CC1 ZINC000995077851 700675784 /nfs/dbraw/zinc/67/57/84/700675784.db2.gz IEJCERHBZIZKFE-HIFRSBDPSA-N 2 0 336.505 1.859 20 0 EDADRP Cc1nonc1C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC000995082699 700726600 /nfs/dbraw/zinc/72/66/00/700726600.db2.gz ZJESOGNFTBRKOP-UKRRQHHQSA-N 2 0 335.452 1.094 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCOC)CC1(C)C ZINC000940785071 700895945 /nfs/dbraw/zinc/89/59/45/700895945.db2.gz GXQDCVHTGZPBRY-HZPDHXFCSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC000941124167 701181799 /nfs/dbraw/zinc/18/17/99/701181799.db2.gz OFDICAQRZXYMOJ-JKSUJKDBSA-N 2 0 325.497 1.316 20 0 EDADRP CN(C(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CC([NH2+]CCn2cccn2)C1 ZINC000999167457 706594529 /nfs/dbraw/zinc/59/45/29/706594529.db2.gz DYEDSEMEWKYIAA-DAWZGUTISA-N 2 0 345.491 1.337 20 0 EDADRP Cn1cc(C[N@@H+]2CC[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)C2)cn1 ZINC000941220531 701410778 /nfs/dbraw/zinc/41/07/78/701410778.db2.gz FXWVBKHRPZLSHA-INIZCTEOSA-N 2 0 333.480 1.233 20 0 EDADRP C[C@H](O)C[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC000941236902 701427386 /nfs/dbraw/zinc/42/73/86/701427386.db2.gz CNVZHJFUZMMEMH-YJBOKZPZSA-N 2 0 347.503 1.959 20 0 EDADRP C[C@H](F)CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC[C@@H]2C1 ZINC000946518409 706602325 /nfs/dbraw/zinc/60/23/25/706602325.db2.gz UBLXQTCWHMZMFT-NXOAAHMSSA-N 2 0 325.472 1.999 20 0 EDADRP O=C([C@H]1C[C@@H]2CCCC[N@@H+]2C1)N1CCN(C2C[NH+](CC3CC3)C2)CC1 ZINC000941408946 701521342 /nfs/dbraw/zinc/52/13/42/701521342.db2.gz ZLRPHDUFTJLXRX-ROUUACIJSA-N 2 0 346.519 1.099 20 0 EDADRP O=C(NCC1C[NH+](CCc2ccc(F)c(F)c2)C1)C12CC[NH+](CC1)C2 ZINC001032130114 701834695 /nfs/dbraw/zinc/83/46/95/701834695.db2.gz GJIYMLCLJJJIHE-UHFFFAOYSA-N 2 0 349.425 1.651 20 0 EDADRP Cc1ccc(OCC[NH+]2CC(CNC(=O)C34CC[NH+](CC3)C4)C2)cc1 ZINC001032131298 701852981 /nfs/dbraw/zinc/85/29/81/701852981.db2.gz IGGDYXJNYXWSES-UHFFFAOYSA-N 2 0 343.471 1.518 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCc2ccccc2)C1 ZINC001031975937 701932446 /nfs/dbraw/zinc/93/24/46/701932446.db2.gz CBPDWNBEPBIHMF-APWZRJJASA-N 2 0 329.488 1.865 20 0 EDADRP C[NH+](C)Cc1ccccc1C(=O)NCC1C[NH+](C[C@@H]2CCOC2)C1 ZINC001032205067 702043735 /nfs/dbraw/zinc/04/37/35/702043735.db2.gz NOIPJNFJPQQUSO-HNNXBMFYSA-N 2 0 331.460 1.446 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2C[C@H]([NH2+]Cc3cnn(C)c3)C(C)(C)C2)CC[N@@H+]1C ZINC000995827695 702101402 /nfs/dbraw/zinc/10/14/02/702101402.db2.gz VGLKGOUJVKSVIX-BBWFWOEESA-N 2 0 347.507 1.477 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1C[NH+](CCCc2ccsc2)C1 ZINC001031980612 702141538 /nfs/dbraw/zinc/14/15/38/702141538.db2.gz WQTDQHRSUKXGRR-YOEHRIQHSA-N 2 0 335.517 1.926 20 0 EDADRP CC(C)[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCOCC2)CC1(C)C ZINC000995899653 702205462 /nfs/dbraw/zinc/20/54/62/702205462.db2.gz XBBNSKWBLKDQGE-SJORKVTESA-N 2 0 337.508 1.865 20 0 EDADRP Cc1noc(C)c1C[NH2+][C@@H]1CN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1(C)C ZINC000995891207 702233440 /nfs/dbraw/zinc/23/34/40/702233440.db2.gz CSXAVZKWHDXIBJ-SJORKVTESA-N 2 0 348.491 1.958 20 0 EDADRP Cn1nncc1C[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995918651 702237916 /nfs/dbraw/zinc/23/79/16/702237916.db2.gz XRYSRZSOQMVNLB-HOCLYGCPSA-N 2 0 348.495 1.016 20 0 EDADRP CC(C)[C@@H](C(=O)N1C[C@@H]([NH2+]Cc2ccccn2)C(C)(C)C1)[NH+](C)C ZINC000995929969 702260539 /nfs/dbraw/zinc/26/05/39/702260539.db2.gz XRIORNQRZJPQEL-SJORKVTESA-N 2 0 332.492 1.994 20 0 EDADRP CC[C@H](C(=O)N1C[C@H]([NH2+]Cc2snnc2C)C(C)(C)C1)[NH+](C)C ZINC000995946819 702293648 /nfs/dbraw/zinc/29/36/48/702293648.db2.gz HORTVLWEROYULP-OCCSQVGLSA-N 2 0 339.509 1.513 20 0 EDADRP Cc1nccnc1C[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1(C)C ZINC000995964610 702309493 /nfs/dbraw/zinc/30/94/93/702309493.db2.gz BJSOTUPDCNYSJI-IRXDYDNUSA-N 2 0 345.491 1.596 20 0 EDADRP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH2+]Cc3cccnc3)C2)CC[N@@H+]1C ZINC000999211251 706663685 /nfs/dbraw/zinc/66/36/85/706663685.db2.gz XQLQITXMKGEDBC-FGTMMUONSA-N 2 0 330.476 1.893 20 0 EDADRP CC1(C)CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[C@H]1[NH2+]CCO ZINC000996187652 702592735 /nfs/dbraw/zinc/59/27/35/702592735.db2.gz CQYLXCYIVMHWRZ-IAGOWNOFSA-N 2 0 337.508 1.602 20 0 EDADRP Cc1ncc(C[NH2+][C@H]2CN(C(=O)C[N@H+]3CCC[C@H]3C)CC2(C)C)cn1 ZINC000996293217 702685649 /nfs/dbraw/zinc/68/56/49/702685649.db2.gz BSBVJDYPWLRDOZ-PBHICJAKSA-N 2 0 345.491 1.596 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)CC1(C)C ZINC000996353840 702731858 /nfs/dbraw/zinc/73/18/58/702731858.db2.gz DAOZMRGYUFOVHH-AWEZNQCLSA-N 2 0 330.436 1.195 20 0 EDADRP O=C(C[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000995218601 702754761 /nfs/dbraw/zinc/75/47/61/702754761.db2.gz YGCALLSBYOOMJQ-HZPDHXFCSA-N 2 0 345.491 1.300 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC000996460152 702804503 /nfs/dbraw/zinc/80/45/03/702804503.db2.gz HKBACOGRJDEPOE-AWEZNQCLSA-N 2 0 330.436 1.021 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H]1CN(C(=O)Cc2ncc[nH]2)CC1(C)C ZINC000996460153 702804514 /nfs/dbraw/zinc/80/45/14/702804514.db2.gz HKBACOGRJDEPOE-CQSZACIVSA-N 2 0 330.436 1.021 20 0 EDADRP Cn1nccc1C[NH2+][C@H]1CN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1(C)C ZINC000996518248 702853651 /nfs/dbraw/zinc/85/36/51/702853651.db2.gz IUFQMRXYLNNQDA-HOCLYGCPSA-N 2 0 333.480 1.089 20 0 EDADRP Cc1ccncc1C[NH2+][C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC1(C)C ZINC000996518447 702854167 /nfs/dbraw/zinc/85/41/67/702854167.db2.gz FHIVDCOTBPPMQN-QGZVFWFLSA-N 2 0 342.487 1.812 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC000996605472 702915084 /nfs/dbraw/zinc/91/50/84/702915084.db2.gz FKKBZPMDUHTYFS-SQWLQELKSA-N 2 0 331.464 1.458 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CN(C(=O)C[NH+]3CCCC3)CC2(C)C)o1 ZINC000996611371 702916346 /nfs/dbraw/zinc/91/63/46/702916346.db2.gz MONHVSRNKHWUIC-MRXNPFEDSA-N 2 0 334.464 1.714 20 0 EDADRP Cc1ccnc(CN[C@H]2CN(C(=O)[C@H]3CC[N@@H+](C)C3)CC2(C)C)n1 ZINC000996615681 702923057 /nfs/dbraw/zinc/92/30/57/702923057.db2.gz QFLMUMJPAOIBHS-GJZGRUSLSA-N 2 0 331.464 1.063 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]Cc2ccnn2C)C(C)(C)C1 ZINC000996665248 702967905 /nfs/dbraw/zinc/96/79/05/702967905.db2.gz AQXFTLDAXRNIHR-IAGOWNOFSA-N 2 0 347.507 1.621 20 0 EDADRP Cc1cnc(C[NH2+]C2CCN(C(=O)[C@@H](C3CC3)[NH+](C)C)CC2)cn1 ZINC000996676785 702975854 /nfs/dbraw/zinc/97/58/54/702975854.db2.gz IDVBIFLYMPUUQH-QGZVFWFLSA-N 2 0 331.464 1.206 20 0 EDADRP Cn1cc(CC[NH2+]C2CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000996692358 702989768 /nfs/dbraw/zinc/98/97/68/702989768.db2.gz XSNLEYFWYVMJTK-SFHVURJKSA-N 2 0 347.507 1.418 20 0 EDADRP CC[C@H](C(=O)N1CCC([NH2+]Cc2noc3c2CCCC3)CC1)[NH+](C)C ZINC000996718426 703012075 /nfs/dbraw/zinc/01/20/75/703012075.db2.gz PMGNSVDASPTEET-QGZVFWFLSA-N 2 0 348.491 1.974 20 0 EDADRP C[C@H]([NH2+]C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1)c1csnn1 ZINC000996720695 703014509 /nfs/dbraw/zinc/01/45/09/703014509.db2.gz DXSMYMDTQQJFQD-SWLSCSKDSA-N 2 0 337.493 1.664 20 0 EDADRP Cn1ccc(C[NH2+]C2CCN(C(=O)c3ccn4c[nH+]cc4c3)CC2)n1 ZINC000996769019 703060263 /nfs/dbraw/zinc/06/02/63/703060263.db2.gz OIPJVBPCKXWMDM-UHFFFAOYSA-N 2 0 338.415 1.462 20 0 EDADRP C[C@H]1C[N@H+](Cc2cncn2C)CC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC000942554961 703068346 /nfs/dbraw/zinc/06/83/46/703068346.db2.gz BMXCEAFALIEWLJ-RDJZCZTQSA-N 2 0 347.507 1.621 20 0 EDADRP C[C@@H]1C[N@H+](CCOC2CCC2)CC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000942597134 703112119 /nfs/dbraw/zinc/11/21/19/703112119.db2.gz JBMPFYGWAUPPPI-QAPCUYQASA-N 2 0 337.508 1.724 20 0 EDADRP Cc1cnc(C[N@@H+]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)[C@@H](C)C2)cn1 ZINC000942597522 703112483 /nfs/dbraw/zinc/11/24/83/703112483.db2.gz LBXUJHJNEDTASM-KSSFIOAISA-N 2 0 345.491 1.453 20 0 EDADRP Cn1cncc1C[NH2+]C1CCN(C(=O)[C@H](C2CC2)[NH+]2CCCC2)CC1 ZINC000996839411 703126635 /nfs/dbraw/zinc/12/66/35/703126635.db2.gz AONNNBPDHZGYCM-SFHVURJKSA-N 2 0 345.491 1.375 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N(Cc2cccnc2)C[C@H]2CC[NH+](CCF)C2)C1 ZINC000995267418 703187486 /nfs/dbraw/zinc/18/74/86/703187486.db2.gz KUNOPABANYJRKD-ROUUACIJSA-N 2 0 348.466 1.653 20 0 EDADRP CCn1ccnc1CN1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000996978794 703234262 /nfs/dbraw/zinc/23/42/62/703234262.db2.gz JSGDYFWALCKVJJ-NVXWUHKLSA-N 2 0 347.507 1.714 20 0 EDADRP COc1ccnc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)c1 ZINC000996994740 703251405 /nfs/dbraw/zinc/25/14/05/703251405.db2.gz IUWQTPUDBIGSJJ-OAHLLOKOSA-N 2 0 346.475 1.655 20 0 EDADRP CCOC1CC(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC[C@H]3C)CC2)C1 ZINC000997002566 703259254 /nfs/dbraw/zinc/25/92/54/703259254.db2.gz XBPCPISFINTWNH-KLHKWILBSA-N 2 0 337.508 1.866 20 0 EDADRP COc1ncccc1C[NH2+]C1CCN(C(=O)[C@@H]2C[N@H+](C)C[C@H]2C)CC1 ZINC000997004005 703260967 /nfs/dbraw/zinc/26/09/67/703260967.db2.gz BGZJEBTUDOMOTF-RHSMWYFYSA-N 2 0 346.475 1.369 20 0 EDADRP Cc1cc(C[NH2+]C2CCN(C(=O)C[N@@H+]3CCC(C)(C)C3)CC2)no1 ZINC000997007875 703265268 /nfs/dbraw/zinc/26/52/68/703265268.db2.gz RDTSUNGTYBNIGH-UHFFFAOYSA-N 2 0 334.464 1.796 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CCC([NH2+]Cc3cccnc3)CC2)CC1 ZINC000997059301 703304831 /nfs/dbraw/zinc/30/48/31/703304831.db2.gz YRJUBUIZSWXWEO-UHFFFAOYSA-N 2 0 330.476 1.894 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]Cc2cnnn2C)CC1 ZINC000997062299 703313403 /nfs/dbraw/zinc/31/34/03/703313403.db2.gz MNJCXJSIYARTQJ-KRWDZBQOSA-N 2 0 348.495 1.159 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([NH2+]Cc3nccn3C)CC2)CC1 ZINC000997140262 703401821 /nfs/dbraw/zinc/40/18/21/703401821.db2.gz PZAHNDCNZORJDP-UHFFFAOYSA-N 2 0 347.507 1.621 20 0 EDADRP CC(C)(C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2C[C@H]1CCCOC1)[NH+]1CCCCC1 ZINC001032404280 703423939 /nfs/dbraw/zinc/42/39/39/703423939.db2.gz DHHMQQRVXKXYHK-SQNIBIBYSA-N 2 0 349.519 1.963 20 0 EDADRP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCO[C@H]1C1CC[NH+](C)CC1 ZINC001032408847 703438060 /nfs/dbraw/zinc/43/80/60/703438060.db2.gz LLCJPIPSZMNSCI-OKYOBFRVSA-N 2 0 349.519 1.674 20 0 EDADRP C[N@@H+]1CC[C@@H](CC(=O)N2CCC([NH2+]CCC3CCOCC3)CC2)C1 ZINC000997185165 703474313 /nfs/dbraw/zinc/47/43/13/703474313.db2.gz QWSWDOMKMGQMEK-KRWDZBQOSA-N 2 0 337.508 1.726 20 0 EDADRP COc1cc(C[NH2+]C2CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)ccn1 ZINC000997188323 703478157 /nfs/dbraw/zinc/47/81/57/703478157.db2.gz ZEXDGZPIHNTFCM-INIZCTEOSA-N 2 0 346.475 1.513 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)N2CCC([NH2+]Cc3ccc(F)cc3F)CC2)C1 ZINC000997298922 703556744 /nfs/dbraw/zinc/55/67/44/703556744.db2.gz LBZSTBAKKVSYRE-AWEZNQCLSA-N 2 0 337.414 1.997 20 0 EDADRP CC(C)C[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCOCC1 ZINC001032443977 703620759 /nfs/dbraw/zinc/62/07/59/703620759.db2.gz GZMFKRQYFVRBGK-OKZBNKHCSA-N 2 0 335.492 1.571 20 0 EDADRP Cc1noc(C)c1C[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000997422359 703670939 /nfs/dbraw/zinc/67/09/39/703670939.db2.gz WZRYIRQDLMEPAC-CXAGYDPISA-N 2 0 348.491 1.960 20 0 EDADRP O=C(N1C[C@@H]2C[C@H]1CN2CCC(F)(F)F)C12CCC[NH+]1CCC2 ZINC001032498096 703795783 /nfs/dbraw/zinc/79/57/83/703795783.db2.gz HAODUHBPPNYRBL-STQMWFEESA-N 2 0 331.382 1.852 20 0 EDADRP CNC(=O)[C@H](C)[NH+]1CCC(NC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC001004201765 703930956 /nfs/dbraw/zinc/93/09/56/703930956.db2.gz QIGZSXHOGMPPCJ-AWEZNQCLSA-N 2 0 346.475 1.077 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC000995550452 703953718 /nfs/dbraw/zinc/95/37/18/703953718.db2.gz JNRIWJSHILBHMJ-HZPDHXFCSA-N 2 0 334.464 1.658 20 0 EDADRP Cc1nc2c([nH]1)C[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCO)CC1)CC2 ZINC000997648316 703963983 /nfs/dbraw/zinc/96/39/83/703963983.db2.gz HHPKTSYNHIUSKL-BBRMVZONSA-N 2 0 348.491 1.422 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033075946 704123797 /nfs/dbraw/zinc/12/37/97/704123797.db2.gz JXTNZCBKGNAQSH-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1ccncc1C[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033094501 704177125 /nfs/dbraw/zinc/17/71/25/704177125.db2.gz IKFAXABRTFDYEA-BPQIPLTHSA-N 2 0 330.476 1.763 20 0 EDADRP Cc1cccnc1C[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001033095142 704181115 /nfs/dbraw/zinc/18/11/15/704181115.db2.gz RKEFTWPKESMCQN-BRWVUGGUSA-N 2 0 330.476 1.763 20 0 EDADRP Cc1noc(CCC[NH+]2CC[C@@H](N(C)C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)n1 ZINC001033095538 704182449 /nfs/dbraw/zinc/18/24/49/704182449.db2.gz ZFFVEJQVTAOYLL-FVQBIDKESA-N 2 0 349.479 1.184 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2nccn2C)C1 ZINC000999303693 706797313 /nfs/dbraw/zinc/79/73/13/706797313.db2.gz IIFGMQGHWKWJND-HZPDHXFCSA-N 2 0 333.480 1.375 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH2+]Cc2nccn2C)C1 ZINC000999303694 706797495 /nfs/dbraw/zinc/79/74/95/706797495.db2.gz IIFGMQGHWKWJND-JKSUJKDBSA-N 2 0 333.480 1.375 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cn(C)nn2)CC1 ZINC000997776205 704677494 /nfs/dbraw/zinc/67/74/94/704677494.db2.gz LSJQGEDESWSWOI-QGZVFWFLSA-N 2 0 348.495 1.016 20 0 EDADRP Cc1nonc1C[NH2+]CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC000997785701 704689769 /nfs/dbraw/zinc/68/97/69/704689769.db2.gz WNKZQEQRUPQCBN-INIZCTEOSA-N 2 0 347.463 1.048 20 0 EDADRP C[C@@H](O)C[NH+]1CCC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000997791516 704700082 /nfs/dbraw/zinc/70/00/82/704700082.db2.gz NPDIRBWXVBEYBM-CVEARBPZSA-N 2 0 347.503 1.959 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH2+]Cc2nncn2C)CC1 ZINC000997822797 704742440 /nfs/dbraw/zinc/74/24/40/704742440.db2.gz UFZNCAPAUSIKGN-MRXNPFEDSA-N 2 0 348.495 1.018 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N1CCC(C[NH2+]Cc2cnon2)CC1 ZINC000997822995 704742798 /nfs/dbraw/zinc/74/27/98/704742798.db2.gz ISIRKITXILQHDH-QGZVFWFLSA-N 2 0 349.479 1.661 20 0 EDADRP Cn1cc(C[NH2+]CC2CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)CC2)cn1 ZINC000997838377 704755736 /nfs/dbraw/zinc/75/57/36/704755736.db2.gz BXAJACSSWCDOSY-GOSISDBHSA-N 2 0 347.507 1.623 20 0 EDADRP CCc1cnc(C[NH2+]CC2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)o1 ZINC000997854256 704766332 /nfs/dbraw/zinc/76/63/32/704766332.db2.gz AQVNYEAXVMZHQZ-MRXNPFEDSA-N 2 0 336.480 1.905 20 0 EDADRP Cc1nnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)[nH]1 ZINC000997866786 704773449 /nfs/dbraw/zinc/77/34/49/704773449.db2.gz UQCQQMUNSBCAEX-CJNGLKHVSA-N 2 0 348.495 1.487 20 0 EDADRP CCc1noc(C)c1C[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)[C@H](C)C1 ZINC000944942715 704795131 /nfs/dbraw/zinc/79/51/31/704795131.db2.gz CJWYPBHSFCFYBV-RDTXWAMCSA-N 2 0 348.491 1.968 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C[NH2+]Cc2cncs2)CC1 ZINC000998078994 705292292 /nfs/dbraw/zinc/29/22/92/705292292.db2.gz NUMIRNQFXVYTGB-CJNGLKHVSA-N 2 0 336.505 1.669 20 0 EDADRP Cc1nc(C[NH2+]CC2CCN(C(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)co1 ZINC000998076677 705296264 /nfs/dbraw/zinc/29/62/64/705296264.db2.gz CCTYVBLPTJUTFT-SUMWQHHRSA-N 2 0 334.464 1.509 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C[NH2+]C[C@H]3CCCCO3)CC2)C1 ZINC000998081614 705303108 /nfs/dbraw/zinc/30/31/08/705303108.db2.gz KQTBJISKEFPXNZ-SJLPKXTDSA-N 2 0 337.508 1.726 20 0 EDADRP Cc1ncc(C[NH2+]CC2CCN(C(=O)C[N@H+]3CC[C@@H](C)C3)CC2)o1 ZINC000998082484 705309450 /nfs/dbraw/zinc/30/94/50/705309450.db2.gz PUEFBNVOKVIELY-CQSZACIVSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1cncc(C[NH2+]CC2CCN(C(=O)[C@H]3C[N@@H+](C)C[C@H]3C)CC2)c1 ZINC000998083062 705311568 /nfs/dbraw/zinc/31/15/68/705311568.db2.gz UJEFTRCCFQOFIG-APWZRJJASA-N 2 0 344.503 1.916 20 0 EDADRP CCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CCC[N@@H+]([C@@H](C)COC)CC1 ZINC000998177699 705468272 /nfs/dbraw/zinc/46/82/72/705468272.db2.gz UTVGVHKMYOFASK-IRXDYDNUSA-N 2 0 337.508 1.820 20 0 EDADRP Cc1cnc([C@@H](C)[NH2+]CC2CCN(C(=O)[C@H]3CC[N@H+](C)C3)CC2)cn1 ZINC000998267306 705641919 /nfs/dbraw/zinc/64/19/19/705641919.db2.gz VXMAEFZJBYTYQU-WBVHZDCISA-N 2 0 345.491 1.626 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3CCC2CCOCC2)C1 ZINC001032629043 705747087 /nfs/dbraw/zinc/74/70/87/705747087.db2.gz LPKFTAFIUNQEKT-ROUUACIJSA-N 2 0 349.519 1.820 20 0 EDADRP CC1(C)CC[N@H+](CC(=O)N2C[C@@H]3C[C@H]2C[NH+]3C[C@@H]2CCCOC2)C1 ZINC001032629698 705754293 /nfs/dbraw/zinc/75/42/93/705754293.db2.gz JAMJENHYRKBTDK-ULQDDVLXSA-N 2 0 335.492 1.430 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)[C@@H]3C[NH+]4CCC3CC4)C2)nn1C ZINC000998781323 706222622 /nfs/dbraw/zinc/22/26/22/706222622.db2.gz VKVXTWMVEMSODS-VMWRSERWSA-N 2 0 345.491 1.149 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ccn(CC)n2)C1 ZINC000998866575 706296465 /nfs/dbraw/zinc/29/64/65/706296465.db2.gz LUOXPNPJGPOGAU-ABHNRTSZSA-N 2 0 347.507 1.856 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1CC(=O)N(C)C1CC([NH2+]Cc2cn(C)nn2)C1 ZINC000998901599 706338528 /nfs/dbraw/zinc/33/85/28/706338528.db2.gz OUKDOFWSGCCREG-ARWYELJZSA-N 2 0 348.495 1.157 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC([NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000998993971 706411327 /nfs/dbraw/zinc/41/13/27/706411327.db2.gz HXMUKGCUUUYJEL-IUPXNIOVSA-N 2 0 345.491 1.393 20 0 EDADRP CN(C(=O)c1cc2c[nH]ccc-2n1)C1CC([NH2+]Cc2cncn2C)C1 ZINC000998988818 706420456 /nfs/dbraw/zinc/42/04/56/706420456.db2.gz MDUGAHYWKQIODW-UHFFFAOYSA-N 2 0 338.415 1.689 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)C1CC([NH2+]Cc2ccnc(Cl)c2)C1 ZINC000999834761 707468135 /nfs/dbraw/zinc/46/81/35/707468135.db2.gz VUKAXUUZASFOPZ-UHFFFAOYSA-N 2 0 336.867 1.910 20 0 EDADRP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]Cc2cnn(C)c2)C1 ZINC000999036234 706450825 /nfs/dbraw/zinc/45/08/25/706450825.db2.gz QEHKLEYTNUIFQY-DAWZGUTISA-N 2 0 347.507 1.620 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2C[NH+](CC[C@@H]3CCCO3)C[C@H]2CC1 ZINC000946517458 706527624 /nfs/dbraw/zinc/52/76/24/706527624.db2.gz DMEZBNCKDYZFNZ-ZSYWTGECSA-N 2 0 349.519 1.820 20 0 EDADRP CN(C(=O)c1occc1C[NH+](C)C)C1CC([NH2+]CC[C@H]2CCOC2)C1 ZINC000999321037 706821451 /nfs/dbraw/zinc/82/14/51/706821451.db2.gz YIYIQIQEVCEUPF-OOHWJJMZSA-N 2 0 349.475 1.960 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CCCN(C(=O)[C@H](C3CC3)[NH+](C)C)C2)nn1C ZINC000999372994 706867385 /nfs/dbraw/zinc/86/73/85/706867385.db2.gz PUYHBUHUWHJYED-RDJZCZTQSA-N 2 0 333.480 1.149 20 0 EDADRP Cn1ccc(C[NH2+][C@@H]2CCCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000999400378 706895303 /nfs/dbraw/zinc/89/53/03/706895303.db2.gz KTFPIERINWUTLG-SJORKVTESA-N 2 0 333.480 1.375 20 0 EDADRP CCn1cc(CC[NH2+]C2CC(N(C)C(=O)C[N@@H+]3CC[C@@H](C)C3)C2)cn1 ZINC000999406895 706916546 /nfs/dbraw/zinc/91/65/46/706916546.db2.gz BOPPVPGDYHWLCZ-FAEJEUNOSA-N 2 0 347.507 1.366 20 0 EDADRP C[C@H]1CC[N@H+](CC(=O)N(C)C2CC([NH2+]Cc3cc(C4CC4)no3)C2)C1 ZINC000999407724 706917573 /nfs/dbraw/zinc/91/75/73/706917573.db2.gz FCUQGTLUIVDJLQ-JEYLPNPQSA-N 2 0 346.475 1.973 20 0 EDADRP Cc1nn(C)cc1C[NH2+]C1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC000999407903 706917697 /nfs/dbraw/zinc/91/76/97/706917697.db2.gz XUKLFBULIAIPSE-IGEOTXOUSA-N 2 0 333.480 1.292 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH2+]CCc2ccns2)C1 ZINC000999506453 707003922 /nfs/dbraw/zinc/00/39/22/707003922.db2.gz AUOOYACVRYJXIL-HOCLYGCPSA-N 2 0 336.505 1.751 20 0 EDADRP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]Cc2ncnn2C)C1 ZINC000999506807 707004636 /nfs/dbraw/zinc/00/46/36/707004636.db2.gz RYTZYZVKPBGZRK-GPANFISMSA-N 2 0 348.495 1.157 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CC[C@@H]2CCCO2)C1 ZINC000999507957 707005215 /nfs/dbraw/zinc/00/52/15/707005215.db2.gz FSIGPOGUHVTDFA-ABHNRTSZSA-N 2 0 337.508 1.866 20 0 EDADRP Cc1nc(C)c(C[NH2+][C@@H]2CCCN(C(=O)[C@H]3CCCC[N@H+]3C)C2)o1 ZINC000999512427 707011174 /nfs/dbraw/zinc/01/11/74/707011174.db2.gz PPKUAWMKVDWVTK-HZPDHXFCSA-N 2 0 334.464 1.856 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH2+]Cc2ccc(F)cn2)C1 ZINC000999515031 707014035 /nfs/dbraw/zinc/01/40/35/707014035.db2.gz WVVXRKIAQAIXFS-SJORKVTESA-N 2 0 334.439 1.786 20 0 EDADRP CCn1nnc(C)c1C[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000999515839 707015093 /nfs/dbraw/zinc/01/50/93/707015093.db2.gz YWXMVVVVRRAPGL-HOTGVXAUSA-N 2 0 348.495 1.171 20 0 EDADRP Cc1cc(CN[C@@H]2CCCN(C(=O)c3cc(CN(C)C)on3)C2)no1 ZINC000999560959 707058163 /nfs/dbraw/zinc/05/81/63/707058163.db2.gz MZXQCWOUVURIRO-CYBMUJFWSA-N 2 0 347.419 1.427 20 0 EDADRP CCc1nocc1C[NH2+][C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000999594450 707097487 /nfs/dbraw/zinc/09/74/87/707097487.db2.gz ACHGUHMJLBDVGF-MRXNPFEDSA-N 2 0 346.475 1.946 20 0 EDADRP Cn1cc(C[NH2+][C@@H]2CCCN(C(=O)C34CCC[NH+]3CCC4)C2)cn1 ZINC000999594604 707097760 /nfs/dbraw/zinc/09/77/60/707097760.db2.gz CMZDCNGUKWLYEP-MRXNPFEDSA-N 2 0 331.464 1.129 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]CC[C@H]2CCOC2)C1)C12CCC[NH+]1CCC2 ZINC000999595065 707098267 /nfs/dbraw/zinc/09/82/67/707098267.db2.gz DNQWYWHCCNQAHS-IRXDYDNUSA-N 2 0 335.492 1.622 20 0 EDADRP O=C(N1CCC[C@H]([NH2+]C[C@@H]2CCCCO2)C1)C12CCC[NH+]1CCC2 ZINC000999597972 707100502 /nfs/dbraw/zinc/10/05/02/707100502.db2.gz TYZWGDJDWUTFDA-IRXDYDNUSA-N 2 0 335.492 1.765 20 0 EDADRP CC(C)c1nnc(C[NH2+]C2CC(N(C)C(=O)C[C@@H]3CC[N@H+](C)C3)C2)[nH]1 ZINC000999680870 707165452 /nfs/dbraw/zinc/16/54/52/707165452.db2.gz BRPMYPPVOQRLRG-NFOMZHRRSA-N 2 0 348.495 1.349 20 0 EDADRP CCn1ccnc1C[NH2+]C1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC000999683132 707204012 /nfs/dbraw/zinc/20/40/12/707204012.db2.gz WYKOPUBCYCYWIA-QQFBHYJXSA-N 2 0 333.480 1.324 20 0 EDADRP Cc1cc(C[NH2+]C2CC(N(C)C(=O)C[C@H]3CC[N@H+](C)C3)C2)ncn1 ZINC000999690429 707246819 /nfs/dbraw/zinc/24/68/19/707246819.db2.gz YIUNCPMKBCYSMS-HPUBIQBYSA-N 2 0 331.464 1.206 20 0 EDADRP CC[C@@H](C(=O)N1CC[C@H]2C[N@@H+](Cc3ccn(C)n3)C[C@H]2CC1)[NH+](C)C ZINC000946784737 707313703 /nfs/dbraw/zinc/31/37/03/707313703.db2.gz RMBRUGXNOCKXQW-JZXOWHBKSA-N 2 0 347.507 1.431 20 0 EDADRP CN(C(=O)[C@H]1C[NH+]2CC3CC2(C3)CO1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001033278074 707344458 /nfs/dbraw/zinc/34/44/58/707344458.db2.gz KZXNMKDGXOBNLY-DHADLLTHSA-N 2 0 333.476 1.182 20 0 EDADRP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](C[C@@H]2CCOC2)C1 ZINC001033183177 707359101 /nfs/dbraw/zinc/35/91/01/707359101.db2.gz WUZKHWDGVCZQHA-DLBZAZTESA-N 2 0 335.492 1.432 20 0 EDADRP COc1ccc(F)cc1C[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000999831893 707462081 /nfs/dbraw/zinc/46/20/81/707462081.db2.gz NGTZWPRQCPVCDH-IGEOTXOUSA-N 2 0 349.450 1.865 20 0 EDADRP CN(C(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CC[N@H+](C[C@H]2CCCOC2)C1 ZINC001033320990 707518068 /nfs/dbraw/zinc/51/80/68/707518068.db2.gz YXZCWGHMWQOVTF-IAGOWNOFSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]([NH2+][C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1)c1cnccn1 ZINC000999876986 707524934 /nfs/dbraw/zinc/52/49/34/707524934.db2.gz RALMTPZFFYCAPJ-JKSUJKDBSA-N 2 0 345.491 1.993 20 0 EDADRP CC[C@H](C[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+]2CCC(C)(C)C2)C1)OC ZINC001033427110 707850780 /nfs/dbraw/zinc/85/07/80/707850780.db2.gz XVBPAPDPVYDTKL-HZPDHXFCSA-N 2 0 325.497 1.676 20 0 EDADRP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001004990754 707852540 /nfs/dbraw/zinc/85/25/40/707852540.db2.gz JWNHRKZQQZUJRR-FUHWJXTLSA-N 2 0 347.507 1.684 20 0 EDADRP CC[C@@H](C(=O)N1CCC[C@@H]([NH2+]Cc2snnc2C)C1)[NH+](C)C ZINC001000218866 707880831 /nfs/dbraw/zinc/88/08/31/707880831.db2.gz MQDHYYORUMONDH-OLZOCXBDSA-N 2 0 325.482 1.267 20 0 EDADRP CN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033474666 707963900 /nfs/dbraw/zinc/96/39/00/707963900.db2.gz JGCZWUSMZCIRHF-ZWKOTPCHSA-N 2 0 337.508 1.678 20 0 EDADRP CC[C@H](C[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1)OC ZINC001000330943 707990184 /nfs/dbraw/zinc/99/01/84/707990184.db2.gz AFMBIOVDTHKBMV-DOTOQJQBSA-N 2 0 337.508 1.724 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC[N@@H+]1C ZINC000921776252 708015051 /nfs/dbraw/zinc/01/50/51/708015051.db2.gz QUEYMQRBCNAZBZ-PBHICJAKSA-N 2 0 331.464 1.690 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](C[C@H]2CC(C)(C)CO2)CC1 ZINC001005185002 708112055 /nfs/dbraw/zinc/11/20/55/708112055.db2.gz OLHXWQPQACENTH-SJORKVTESA-N 2 0 337.508 1.819 20 0 EDADRP CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC001005183618 708134146 /nfs/dbraw/zinc/13/41/46/708134146.db2.gz JKYMYSHFDNKZKI-AEFFLSMTSA-N 2 0 337.508 1.820 20 0 EDADRP CO[C@H](C)C[N@H+]1CC=C(CNC(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC001001378607 708140757 /nfs/dbraw/zinc/14/07/57/708140757.db2.gz KCWPJLYIKKNFBU-CQSZACIVSA-N 2 0 332.448 1.544 20 0 EDADRP Cc1ccncc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001033582025 708264505 /nfs/dbraw/zinc/26/45/05/708264505.db2.gz NIHDZMGWZQYWJQ-AEFFLSMTSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ncccc1C[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001033582811 708266417 /nfs/dbraw/zinc/26/64/17/708266417.db2.gz RFSVVDUKPUGDHB-WMZOPIPTSA-N 2 0 330.476 1.765 20 0 EDADRP Cc1ncoc1C[NH+]1CCC(CNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001001795782 708310536 /nfs/dbraw/zinc/31/05/36/708310536.db2.gz XOHBMLORZVOBER-UHFFFAOYSA-N 2 0 334.464 1.653 20 0 EDADRP Cc1ccncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC001001831892 708357411 /nfs/dbraw/zinc/35/74/11/708357411.db2.gz BFXZTJUHYBTEMO-QFBILLFUSA-N 2 0 344.503 1.916 20 0 EDADRP Cc1cncc(C[NH+]2CCC(CNC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)CC2)c1 ZINC001001833287 708359536 /nfs/dbraw/zinc/35/95/36/708359536.db2.gz KPBHMDCCEHONFC-QFBILLFUSA-N 2 0 344.503 1.916 20 0 EDADRP Cc1oncc1C[NH+]1CCC(CNC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001001835022 708361702 /nfs/dbraw/zinc/36/17/02/708361702.db2.gz UNSMAJBNNQYCTG-CXAGYDPISA-N 2 0 334.464 1.509 20 0 EDADRP CN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCC2CCOCC2)C1 ZINC001033657906 708429575 /nfs/dbraw/zinc/42/95/75/708429575.db2.gz OGAFLCAHTYCILG-SFHVURJKSA-N 2 0 337.508 1.822 20 0 EDADRP COc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)[C@H]3CC[NH+](C)C3)C2)c1 ZINC001033658705 708469666 /nfs/dbraw/zinc/46/96/66/708469666.db2.gz BIQSGQWPDIRTSC-IRXDYDNUSA-N 2 0 331.460 1.680 20 0 EDADRP COc1ccc(C)cc1C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001033659134 708470434 /nfs/dbraw/zinc/47/04/34/708470434.db2.gz BRMYZJPSYXUYPD-AEFFLSMTSA-N 2 0 345.487 1.988 20 0 EDADRP CO[C@H](C)C[NH+]1CCC(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001002005599 708522895 /nfs/dbraw/zinc/52/28/95/708522895.db2.gz RTWJIGLADHVERQ-MRXNPFEDSA-N 2 0 339.524 1.970 20 0 EDADRP COc1ccc(C[NH+]2CCC(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001002122071 708636487 /nfs/dbraw/zinc/63/64/87/708636487.db2.gz XXOAUVSFZOXVNO-SFHVURJKSA-N 2 0 345.487 1.975 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2ccccc2C[NH+]2CC[C@H](O)C2)CC[N@@H+]1C ZINC000921884236 708787304 /nfs/dbraw/zinc/78/73/04/708787304.db2.gz KDUOVFLCCSVAEE-JLSDUUJJSA-N 2 0 346.475 1.145 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001005382985 708817590 /nfs/dbraw/zinc/81/75/90/708817590.db2.gz FQJGYFAIEMFSPY-DOTOQJQBSA-N 2 0 325.497 1.817 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)[C@@H]2CC[NH+](CCOC)C2)C1 ZINC001033932627 709090557 /nfs/dbraw/zinc/09/05/57/709090557.db2.gz QKRVTQPKSAYJEF-DLBZAZTESA-N 2 0 325.497 1.678 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](Cc2cnn(C)c2)CC1 ZINC001005476592 709113851 /nfs/dbraw/zinc/11/38/51/709113851.db2.gz OFFXNIFNNIYNFI-SFHVURJKSA-N 2 0 347.507 1.717 20 0 EDADRP CCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC[C@H]2CCOC2)C1 ZINC001033941602 709148286 /nfs/dbraw/zinc/14/82/86/709148286.db2.gz QSQZMCRMCONYTN-FUHWJXTLSA-N 2 0 337.508 1.678 20 0 EDADRP C[C@@]12CN(C(=O)[C@@H]3CCC[NH2+]C3)C[C@@H]1C[N@H+](Cc1ccccc1)C2 ZINC000702083429 709329384 /nfs/dbraw/zinc/32/93/84/709329384.db2.gz XFWIYZXSVUTAIT-WSTZPKSXSA-N 2 0 327.472 1.967 20 0 EDADRP Cc1cc(C)n(CC[NH+]2CCC(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)n1 ZINC001002851500 709461975 /nfs/dbraw/zinc/46/19/75/709461975.db2.gz JDUXTUZHUVOMTP-SJLPKXTDSA-N 2 0 347.507 1.421 20 0 EDADRP C[C@@H]1[C@H](C(=O)NC2CC[NH+](CCC3CCOCC3)CC2)CC[N@@H+]1C ZINC001002851944 709462018 /nfs/dbraw/zinc/46/20/18/709462018.db2.gz MGDYPZASIRPMHK-CRAIPNDOSA-N 2 0 337.508 1.724 20 0 EDADRP C[NH+](C)C[C@H](N)C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000702403849 709553607 /nfs/dbraw/zinc/55/36/07/709553607.db2.gz WKSRLCOGKGMXPV-ROUUACIJSA-N 2 0 344.503 1.294 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCN([C@@H](C)c2nnc(C)o2)CC1 ZINC001002953802 709653943 /nfs/dbraw/zinc/65/39/43/709653943.db2.gz CQNSHAGVZGYEMA-XJKSGUPXSA-N 2 0 349.479 1.894 20 0 EDADRP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H]2CCCC[NH+](CCCO)C2)C1 ZINC001034368801 709853716 /nfs/dbraw/zinc/85/37/16/709853716.db2.gz QBXJBBTZBBTDBR-DLBZAZTESA-N 2 0 325.497 1.462 20 0 EDADRP C[NH+]1CCC(C(=O)N[C@H]2CCCC[N@H+](CC[C@H]3CCCO3)C2)CC1 ZINC001034386024 709914219 /nfs/dbraw/zinc/91/42/19/709914219.db2.gz PBHHAEDRVKIHQR-ZWKOTPCHSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCCC[NH+](CCc3ccnn3C)C2)C1 ZINC001034393888 709929051 /nfs/dbraw/zinc/92/90/51/709929051.db2.gz HHWNUAPCVVHEMU-SJORKVTESA-N 2 0 347.507 1.275 20 0 EDADRP COC[C@H](C)[N@@H+]1CCCC[C@H](NC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC001034400249 709943105 /nfs/dbraw/zinc/94/31/05/709943105.db2.gz XEVDONHFWQVIFD-HOTGVXAUSA-N 2 0 325.497 1.724 20 0 EDADRP C[C@H](O)C[N@@H+]1CCCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001034478867 710087661 /nfs/dbraw/zinc/08/76/61/710087661.db2.gz PMEZMDUYZDJNEB-MAUKXSAKSA-N 2 0 337.508 1.460 20 0 EDADRP O=C(N[C@H]1CCCC[N@H+](C[C@@H]2CCCCO2)C1)C12CC[NH+](CC1)C2 ZINC001034490400 710109363 /nfs/dbraw/zinc/10/93/63/710109363.db2.gz ISURGWHIEWDLOO-IRXDYDNUSA-N 2 0 335.492 1.622 20 0 EDADRP O=C(N[C@@H]1CCCC[N@H+](CC[C@@H]2CCCO2)C1)C12CC[NH+](CC1)C2 ZINC001034488340 710137468 /nfs/dbraw/zinc/13/74/68/710137468.db2.gz UJQOCZKLTYXQMA-SJORKVTESA-N 2 0 335.492 1.622 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[N@H+](CCO)C2)o1 ZINC001034545771 710219356 /nfs/dbraw/zinc/21/93/56/710219356.db2.gz XMWMQFHRKUOIGU-OAHLLOKOSA-N 2 0 337.464 1.698 20 0 EDADRP O=C(NC1CC[NH+](CC2CCCC2)CC1)[C@@H]1C[N@@H+]2CC3CC2(C3)CO1 ZINC001003331921 710256570 /nfs/dbraw/zinc/25/65/70/710256570.db2.gz JAKMFSAKFQYWBG-IPCDKGFNSA-N 2 0 347.503 1.620 20 0 EDADRP O=C(NC1CC[NH+](CC[C@H]2CCOC2)CC1)[C@H](C1CC1)[NH+]1CCCC1 ZINC001003375166 710293104 /nfs/dbraw/zinc/29/31/04/710293104.db2.gz JQHDIRLZDHCIPU-LPHOPBHVSA-N 2 0 349.519 1.868 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCn2cncn2)CC1 ZINC001034646818 710323362 /nfs/dbraw/zinc/32/33/62/710323362.db2.gz WTUKHODBBSXMSC-BRWVUGGUSA-N 2 0 348.495 1.168 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1)c1cnccn1 ZINC001034647527 710323982 /nfs/dbraw/zinc/32/39/82/710323982.db2.gz KAFPXZVPBFAQSC-BQJWPVKWSA-N 2 0 345.491 1.895 20 0 EDADRP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]Cc3cnn(C)c3)CC2)CC[N@@H+]1C ZINC001034648174 710324968 /nfs/dbraw/zinc/32/49/68/710324968.db2.gz ZFMJQKKCXXFOIA-MWQQHZPXSA-N 2 0 333.480 1.277 20 0 EDADRP Cc1conc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001034649250 710325967 /nfs/dbraw/zinc/32/59/67/710325967.db2.gz UWIVAPSUJCBDMZ-ULQDDVLXSA-N 2 0 346.475 1.842 20 0 EDADRP CC[C@H](C[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)OC ZINC001003491395 710374054 /nfs/dbraw/zinc/37/40/54/710374054.db2.gz DRSLSQKXBILMLB-YQQAZPJKSA-N 2 0 325.497 1.722 20 0 EDADRP C[NH+](C)Cc1ccoc1C(=O)NC1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC001003519078 710396171 /nfs/dbraw/zinc/39/61/71/710396171.db2.gz ZUPMDWPECZTEIL-HNNXBMFYSA-N 2 0 349.475 1.962 20 0 EDADRP C[NH+]1CCC(C(=O)NC2CC[NH+](C[C@H]3C[C@@]34CCOC4)CC2)CC1 ZINC001003548937 710414529 /nfs/dbraw/zinc/41/45/29/710414529.db2.gz WOJKCBUXENVBCC-VQIMIIECSA-N 2 0 335.492 1.335 20 0 EDADRP CO[C@@H](C)C[NH+]1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001003800422 710568011 /nfs/dbraw/zinc/56/80/11/710568011.db2.gz UWCRGBWFKGDTDV-HNNXBMFYSA-N 2 0 333.476 1.977 20 0 EDADRP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cn(C)nn2)CC1 ZINC001034658855 710587603 /nfs/dbraw/zinc/58/76/03/710587603.db2.gz JQMGKSRAIOISHF-ZOBUZTSGSA-N 2 0 348.495 1.207 20 0 EDADRP C[C@@H]1CC[C@H](C[NH+]2CCC(NC(=O)C[NH+]3CCC(C)CC3)CC2)O1 ZINC001003840847 710651561 /nfs/dbraw/zinc/65/15/61/710651561.db2.gz HAAKHRGSBNUJCE-SJLPKXTDSA-N 2 0 337.508 1.866 20 0 EDADRP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC001005594472 710655709 /nfs/dbraw/zinc/65/57/09/710655709.db2.gz ZLBBVTRQDUDJRS-FUHWJXTLSA-N 2 0 337.508 1.820 20 0 EDADRP C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]Cc2cscn2)CC1 ZINC001034734668 710917366 /nfs/dbraw/zinc/91/73/66/710917366.db2.gz UYMIGIBQBMXKKI-RZLSGREXSA-N 2 0 336.505 1.858 20 0 EDADRP Cc1cc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+]3CCC[C@H]3C)CC2)ncn1 ZINC001034734879 710917635 /nfs/dbraw/zinc/91/76/35/710917635.db2.gz BECVJINWIUSWEN-BRWVUGGUSA-N 2 0 345.491 1.786 20 0 EDADRP CCn1ccnc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+]2CCC[C@@H]2C)CC1 ZINC001034736229 710922995 /nfs/dbraw/zinc/92/29/95/710922995.db2.gz TVEBWXCYVICGTI-ULQDDVLXSA-N 2 0 347.507 1.904 20 0 EDADRP Cc1nonc1C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC001034738874 710932094 /nfs/dbraw/zinc/93/20/94/710932094.db2.gz WXUGHYVBMCWRLF-NMFUWQPSSA-N 2 0 335.452 1.093 20 0 EDADRP O=C(N[C@H]1CC[C@H]([NH2+]CC[C@@H]2CCOC2)CC1)C12CC[NH+](CC1)C2 ZINC001034778180 711078911 /nfs/dbraw/zinc/07/89/11/711078911.db2.gz OHNBFKASUXXZLF-BRWVUGGUSA-N 2 0 335.492 1.526 20 0 EDADRP CNC(=O)[C@H](C)[NH+]1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC001005714462 711103152 /nfs/dbraw/zinc/10/31/52/711103152.db2.gz RLRRVIWHLQWUBE-ZDUSSCGKSA-N 2 0 343.431 1.005 20 0 EDADRP CCc1nnc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)[nH]1 ZINC001034793364 711123713 /nfs/dbraw/zinc/12/37/13/711123713.db2.gz YFIHWOOCVPEXBF-XGUBFFRZSA-N 2 0 348.495 1.397 20 0 EDADRP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH2+]CCO)CC2)o1 ZINC001034801073 711141184 /nfs/dbraw/zinc/14/11/84/711141184.db2.gz KXTFPMGBAWVIOF-SHTZXODSSA-N 2 0 337.464 1.744 20 0 EDADRP O=C(NCc1ccc(C[NH2+]C[C@H]2CCOC2)cc1)C12CC[NH+](CC1)C2 ZINC001034828122 711232195 /nfs/dbraw/zinc/23/21/95/711232195.db2.gz LKESAPOXUFONFL-GOSISDBHSA-N 2 0 343.471 1.525 20 0 EDADRP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]C[C@H]3CCCOC3)cc2)C1 ZINC001034830778 711236790 /nfs/dbraw/zinc/23/67/90/711236790.db2.gz DJZGSUAXXFHBQH-MOPGFXCFSA-N 2 0 345.487 1.771 20 0 EDADRP CN(C(=O)[C@H]1C[N@@H+]2CC3CC2(C3)CO1)C1CC[NH+](CC2CC2)CC1 ZINC001005743174 711367767 /nfs/dbraw/zinc/36/77/67/711367767.db2.gz XPMPSAXEHXEXIR-URSIVYNOSA-N 2 0 333.476 1.182 20 0 EDADRP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C2([NH+](C)C)CCC2)nn1 ZINC001034956671 711427230 /nfs/dbraw/zinc/42/72/30/711427230.db2.gz FKLYSNVNPBTRQX-OAHLLOKOSA-N 2 0 347.463 1.050 20 0 EDADRP Cc1cnc([C@H](C)[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C2CCC2)cn1 ZINC001034957913 711430729 /nfs/dbraw/zinc/43/07/29/711430729.db2.gz PLFGAFPLUDFZNP-DOTOQJQBSA-N 2 0 345.491 1.911 20 0 EDADRP Cc1ncc(C[NH2+]C[C@H]2CCCN2C(=O)[C@H](C2CC2)[NH+](C)C)s1 ZINC001034958810 711432786 /nfs/dbraw/zinc/43/27/86/711432786.db2.gz MFDZJLJZAUXHJK-ZBFHGGJFSA-N 2 0 336.505 1.872 20 0 EDADRP CC(C)n1ccc(C[NH2+]C[C@H]2CCCN2C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)n1 ZINC001034939904 711442668 /nfs/dbraw/zinc/44/26/68/711442668.db2.gz QTMMLYSIHNUVBY-KBAYOESNSA-N 2 0 347.507 1.885 20 0 EDADRP CC1CC(C[NH2+]C[C@H]2CCCN2C(=O)c2ccn(CC[NH+](C)C)n2)C1 ZINC001034939966 711443095 /nfs/dbraw/zinc/44/30/95/711443095.db2.gz MCBCWXZTTXCEHU-OFLPRAFFSA-N 2 0 347.507 1.685 20 0 EDADRP Cc1cc(C[NH2+]C[C@H]2CCCN2C(=O)C23CCC[NH+](CCC2)C3)on1 ZINC001034970092 711449382 /nfs/dbraw/zinc/44/93/82/711449382.db2.gz UPIIJZOTXIHBEQ-MRXNPFEDSA-N 2 0 346.475 1.940 20 0 EDADRP Cn1nccc1[C@H]1[C@H](CNC(=O)NCC2([NH+](C)C)CC2)CCC[N@@H+]1C ZINC000922414680 711489596 /nfs/dbraw/zinc/48/95/96/711489596.db2.gz XORIGVIZKNCQGD-GOEBONIOSA-N 2 0 348.495 1.196 20 0 EDADRP CN(C)c1cccc(C[NH+]2CCC(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)c1 ZINC001004142079 711542052 /nfs/dbraw/zinc/54/20/52/711542052.db2.gz HCDMZJIQDMKDQQ-KRWDZBQOSA-N 2 0 344.503 1.785 20 0 EDADRP CCc1onc(C)c1C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001004149512 711563386 /nfs/dbraw/zinc/56/33/86/711563386.db2.gz KIGOTFGUPHTHCG-CQSZACIVSA-N 2 0 334.464 1.578 20 0 EDADRP CO[C@@H](C[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C)C2)CC1)C1CCCC1 ZINC001004149971 711564706 /nfs/dbraw/zinc/56/47/06/711564706.db2.gz PJEBGHRVZAQNCW-AEFFLSMTSA-N 2 0 337.508 1.724 20 0 EDADRP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H]2C[NH+](CCCO)C[C@H]2CC1 ZINC000946631426 712017562 /nfs/dbraw/zinc/01/75/62/712017562.db2.gz GUUOAGZCICFJTQ-KSZLIROESA-N 2 0 337.508 1.414 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2C[NH+](Cc3ccccc3)CCCO2)C1 ZINC000557670269 306232879 /nfs/dbraw/zinc/23/28/79/306232879.db2.gz USNUMOVLGVCTNR-IEBWSBKVSA-N 2 0 345.487 1.736 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346852339 282271606 /nfs/dbraw/zinc/27/16/06/282271606.db2.gz XEKCDQRODQFMTN-UAGQMJEPSA-N 2 0 333.480 1.124 20 0 EDADRP C[NH+]1CCC(Nc2ccccc2NC(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000166852958 530050464 /nfs/dbraw/zinc/05/04/64/530050464.db2.gz FVUMHGXCCUWSRM-OAHLLOKOSA-N 2 0 332.448 1.510 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000333890043 539658432 /nfs/dbraw/zinc/65/84/32/539658432.db2.gz GSZDNOFUHYAGFG-JKSUJKDBSA-N 2 0 338.496 1.461 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000333827300 539654323 /nfs/dbraw/zinc/65/43/23/539654323.db2.gz LWBZZMAELFLKBK-BBWFWOEESA-N 2 0 338.496 1.258 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000333946230 539661930 /nfs/dbraw/zinc/66/19/30/539661930.db2.gz UKAGNBMGDSPSLP-LSDHHAIUSA-N 2 0 340.537 1.788 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)CC[NH+]2CCCC[C@H]2C)C[C@H](C)O1 ZINC000339233787 539701249 /nfs/dbraw/zinc/70/12/49/539701249.db2.gz KNRPOIQARUHHRA-ZACQAIPSSA-N 2 0 325.497 1.866 20 0 EDADRP Cn1cc(N2CCC[C@@H]([NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)C2=O)cn1 ZINC000357070296 282648285 /nfs/dbraw/zinc/64/82/85/282648285.db2.gz GCUOHVCYTYFMEU-NVXWUHKLSA-N 2 0 331.464 1.237 20 0 EDADRP CO[C@H]1C[C@@H](C(=O)NCc2ccccc2C[NH+](C)C(C)C)[N@H+](C)C1 ZINC000343815723 539797130 /nfs/dbraw/zinc/79/71/30/539797130.db2.gz FJBWHIYJAXLPQO-ROUUACIJSA-N 2 0 333.476 1.862 20 0 EDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000154984226 539911470 /nfs/dbraw/zinc/91/14/70/539911470.db2.gz PQZSPDDLXVCTKE-QGZVFWFLSA-N 2 0 331.460 1.859 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]1C1CCN(C(=O)[C@@H]2[NH2+]CCc3ccccc32)CC1 ZINC000562809855 306310003 /nfs/dbraw/zinc/31/00/03/306310003.db2.gz RGRWVLWFDCZIJO-KURKYZTESA-N 2 0 329.444 1.228 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000412780755 304036764 /nfs/dbraw/zinc/03/67/64/304036764.db2.gz REXJHCFEOYIUJI-QGZVFWFLSA-N 2 0 331.460 1.224 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000489380610 540035118 /nfs/dbraw/zinc/03/51/18/540035118.db2.gz QFJVDWMGUNNTAA-HOTGVXAUSA-N 2 0 326.485 1.080 20 0 EDADRP C[C@H]1C[C@@H](N(C)C(=O)CC2([NH+]3CCOCC3)CCCC2)CC[N@@H+]1C ZINC000369640565 291059360 /nfs/dbraw/zinc/05/93/60/291059360.db2.gz JWDXERCFRANXHZ-IRXDYDNUSA-N 2 0 337.508 1.963 20 0 EDADRP C[N@@H+]1CC[C@H](NC(=O)N2CCCO[C@H](C[NH3+])C2)[C@H]1c1ccccc1 ZINC000333781408 283123146 /nfs/dbraw/zinc/12/31/46/283123146.db2.gz KWPCYUXHRKBDSH-IXDOHACOSA-N 2 0 332.448 1.191 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+](C)C(C2CC2)C2CC2)C1 ZINC000050989122 138132990 /nfs/dbraw/zinc/13/29/90/138132990.db2.gz OXBOZVMCUGCTJW-QGZVFWFLSA-N 2 0 337.508 1.580 20 0 EDADRP O=C(NCc1ccccc1C[NH+]1CCCC1)NC[C@H]1C[NH2+]CCO1 ZINC000563560532 306339068 /nfs/dbraw/zinc/33/90/68/306339068.db2.gz COWDVAQPNWMPNZ-QGZVFWFLSA-N 2 0 332.448 1.070 20 0 EDADRP O=S(=O)(C1CC1)N1CCC([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000090231565 138278293 /nfs/dbraw/zinc/27/82/93/138278293.db2.gz XDOYAXAPARLVOT-GJZGRUSLSA-N 2 0 327.494 1.159 20 0 EDADRP COC[C@]1(CNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)CCC[NH2+]1 ZINC000563601436 306341301 /nfs/dbraw/zinc/34/13/01/306341301.db2.gz HCAFIMOTQRSDSE-SJLPKXTDSA-N 2 0 338.496 1.415 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)[NH+](C)C ZINC000132045669 138370873 /nfs/dbraw/zinc/37/08/73/138370873.db2.gz PNQZIGMFUVPJCO-JZXOWHBKSA-N 2 0 339.524 1.920 20 0 EDADRP CN1CCC(CNC(=O)[C@@H]2CCCCC[NH2+]2)([NH+]2CCCCC2)CC1 ZINC000563813041 306348228 /nfs/dbraw/zinc/34/82/28/306348228.db2.gz IEWFKLKLBPKXLG-KRWDZBQOSA-N 2 0 336.524 1.585 20 0 EDADRP C[C@H](O)[C@H]1CCN(c2cc(NCc3ccc4c[nH+]cn4c3)ncn2)C1 ZINC000564544336 306360154 /nfs/dbraw/zinc/36/01/54/306360154.db2.gz INRPUADYSMJTOE-ZFWWWQNUSA-N 2 0 338.415 1.944 20 0 EDADRP CCN1CCC([NH+]2CCC(C(=O)NCC3=CC[N@H+](C)CC3)CC2)CC1 ZINC000565195523 306377351 /nfs/dbraw/zinc/37/73/51/306377351.db2.gz RUJXUUISOIHKMS-UHFFFAOYSA-N 2 0 348.535 1.561 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)N[C@H]3CC[NH2+]C3)cc2)C[C@@H](C)O1 ZINC000565256121 306379637 /nfs/dbraw/zinc/37/96/37/306379637.db2.gz WOCFEORKXALDLU-RKVPGOIHSA-N 2 0 346.475 1.457 20 0 EDADRP C[C@@H](CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCC[C@@H](C)C1 ZINC000414708405 304130748 /nfs/dbraw/zinc/13/07/48/304130748.db2.gz QHGVXHDRJYKFIL-KGLIPLIRSA-N 2 0 332.448 1.320 20 0 EDADRP O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000262484318 284007094 /nfs/dbraw/zinc/00/70/94/284007094.db2.gz YJWJLKRQWCJXTO-ROUUACIJSA-N 2 0 331.460 1.402 20 0 EDADRP O=C(NCc1ccccc1C[N@H+]1CC[C@@H](O)C1)C12CCC[NH+]1CCC2 ZINC000365978060 284008304 /nfs/dbraw/zinc/00/83/04/284008304.db2.gz KRMQWHSHELKTSR-GOSISDBHSA-N 2 0 343.471 1.498 20 0 EDADRP CCC[N@@H+]1CC[C@H](CNC(=O)C(=O)Nc2cccc(C[NH2+]CC)c2)C1 ZINC000414748853 304137118 /nfs/dbraw/zinc/13/71/18/304137118.db2.gz VDYIDHOLYZJMIZ-MRXNPFEDSA-N 2 0 346.475 1.583 20 0 EDADRP COc1ccc(S(=O)(=O)N2CCC([NH2+]CC(C)(C)[NH3+])CC2)cc1 ZINC000414811299 304143739 /nfs/dbraw/zinc/14/37/39/304143739.db2.gz ZASTYAYOVNTUQF-UHFFFAOYSA-N 2 0 341.477 1.175 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000415079790 304158255 /nfs/dbraw/zinc/15/82/55/304158255.db2.gz KPHUKDROVKTMIL-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP CC(C)NS(=O)(=O)Cc1ccccc1C[NH2+]CC1CC[NH2+]CC1 ZINC000415098520 304159478 /nfs/dbraw/zinc/15/94/78/304159478.db2.gz FKTHRPLBCWHCKN-UHFFFAOYSA-N 2 0 339.505 1.604 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)c1 ZINC000415137094 304163102 /nfs/dbraw/zinc/16/31/02/304163102.db2.gz DVGMERROUFWEDX-CJNGLKHVSA-N 2 0 330.432 1.040 20 0 EDADRP C[NH+](C)CCNC(=O)C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000195519321 139019388 /nfs/dbraw/zinc/01/93/88/139019388.db2.gz YYNNXPPDHHENRD-UHFFFAOYSA-N 2 0 339.402 1.345 20 0 EDADRP C[NH+]1CCN(Cc2ccc(CNC(=O)[C@]3(C)CC[NH2+]C3)cc2)CC1 ZINC000237215554 139044549 /nfs/dbraw/zinc/04/45/49/139044549.db2.gz LLMQGKXLDOZOAB-LJQANCHMSA-N 2 0 330.476 1.050 20 0 EDADRP COc1ccccc1[C@H](CNC(=O)[C@@H]1C[NH2+]CCO1)[NH+]1CCCCC1 ZINC000237259211 139045737 /nfs/dbraw/zinc/04/57/37/139045737.db2.gz GBLTWMATOKQJDL-WMZOPIPTSA-N 2 0 347.459 1.327 20 0 EDADRP C[C@@H]1C[NH+](CCC2CCN(C(=O)C3CC[NH2+]CC3)CC2)C[C@@H](C)O1 ZINC000237400619 139050077 /nfs/dbraw/zinc/05/00/77/139050077.db2.gz JRKNGZRJVYDUEU-HZPDHXFCSA-N 2 0 337.508 1.724 20 0 EDADRP CC(C)[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)[NH+](C)C ZINC000111100875 220100028 /nfs/dbraw/zinc/10/00/28/220100028.db2.gz VXIVTJXXSNXMCS-MRXNPFEDSA-N 2 0 325.497 1.724 20 0 EDADRP O=C(C[C@@H]1CSCC[NH2+]1)N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000238043858 139067385 /nfs/dbraw/zinc/06/73/85/139067385.db2.gz QCZUBHNXAKVJDS-OAHLLOKOSA-N 2 0 341.521 1.185 20 0 EDADRP O=C(NCCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000238019085 139066688 /nfs/dbraw/zinc/06/66/88/139066688.db2.gz FDEOQIBJHJZHIZ-KRWDZBQOSA-N 2 0 330.476 1.315 20 0 EDADRP C[C@@H](CNC(=O)c1cccc(CN2CC[NH+](C)CC2)c1)[N@H+](C)C1CC1 ZINC000081338857 217384851 /nfs/dbraw/zinc/38/48/51/217384851.db2.gz IJAVANLPJYVAOJ-INIZCTEOSA-N 2 0 344.503 1.647 20 0 EDADRP CC[NH2+]Cc1cccc(NC(=O)C(=O)N2CCN(CC)C[C@@H]2C)c1 ZINC000415233494 304177352 /nfs/dbraw/zinc/17/73/52/304177352.db2.gz SFOHBEICRKUYIS-AWEZNQCLSA-N 2 0 332.448 1.287 20 0 EDADRP CC[N@@H+]1CC[C@@H](NCc2cccnc2N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000246987165 139129844 /nfs/dbraw/zinc/12/98/44/139129844.db2.gz KMFPHCPPAPDKFB-FUHWJXTLSA-N 2 0 331.508 1.653 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)C1 ZINC000418624712 284642284 /nfs/dbraw/zinc/64/22/84/284642284.db2.gz ZSTFCROUZGEGRT-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000415370027 304206325 /nfs/dbraw/zinc/20/63/25/304206325.db2.gz NJTWQCBWNAXZFZ-UHFFFAOYSA-N 2 0 346.475 1.853 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N(C)C[C@H]2CCC[NH+](C)C2)C1 ZINC000247253437 139142650 /nfs/dbraw/zinc/14/26/50/139142650.db2.gz PUXHSMJNQWNUMG-IRXDYDNUSA-N 2 0 340.512 1.326 20 0 EDADRP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3ccccc3C(N)=O)CC[C@H]21 ZINC000247273424 139143218 /nfs/dbraw/zinc/14/32/18/139143218.db2.gz SJNUDQWHQNFHKW-XJKSGUPXSA-N 2 0 330.432 1.140 20 0 EDADRP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C(=O)NC(C)(C)C[NH3+])cc2)C1 ZINC000415379310 304208911 /nfs/dbraw/zinc/20/89/11/304208911.db2.gz JDSQTSAIZBMFAV-CQSZACIVSA-N 2 0 346.475 1.711 20 0 EDADRP CNC(=O)c1ccc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1 ZINC000568728269 306487452 /nfs/dbraw/zinc/48/74/52/306487452.db2.gz JZEQUUNXMNGXER-QZTJIDSGSA-N 2 0 331.460 1.765 20 0 EDADRP CC[C@H]1CN(C(=O)[C@H]2CN(C)CCO2)CCN1Cc1ccccc1 ZINC000248425924 139163274 /nfs/dbraw/zinc/16/32/74/139163274.db2.gz KAGRIHCRBGXOHP-ZWKOTPCHSA-N 2 0 331.460 1.440 20 0 EDADRP C[NH2+]CC1CCN(C(=O)C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC1 ZINC000415403428 304214418 /nfs/dbraw/zinc/21/44/18/304214418.db2.gz SABBTHFOEQMCIX-UHFFFAOYSA-N 2 0 346.475 1.453 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000249564142 139195583 /nfs/dbraw/zinc/19/55/83/139195583.db2.gz MNINLTXBGIULSK-PSBWJHGTSA-N 2 0 345.487 1.468 20 0 EDADRP CC[NH+](CC)Cc1cccc(NC(=O)C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)c1 ZINC000415433289 304219373 /nfs/dbraw/zinc/21/93/73/304219373.db2.gz AKPWIFPOWDELDF-PBHICJAKSA-N 2 0 346.475 1.663 20 0 EDADRP [NH3+]C[C@H]1CC[C@@H](C(=O)NC2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000261640704 139213618 /nfs/dbraw/zinc/21/36/18/139213618.db2.gz DKFJMMRRFJSJCS-MSOLQXFVSA-N 2 0 331.460 1.316 20 0 EDADRP C[NH+](C)CCC(=O)Nc1ccc(NC(=O)CC[C@H]2CC[NH2+]C2)cc1 ZINC000261782425 139225530 /nfs/dbraw/zinc/22/55/30/139225530.db2.gz JQZRCACLMRFRKD-AWEZNQCLSA-N 2 0 332.448 1.905 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)[C@@](C)([NH3+])c1ccc(Br)cc1 ZINC000261844051 139230789 /nfs/dbraw/zinc/23/07/89/139230789.db2.gz PUXDDWGZKKIBBN-YGRLFVJLSA-N 2 0 328.254 1.737 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000261858372 139231854 /nfs/dbraw/zinc/23/18/54/139231854.db2.gz PMBGMLQFODNDFU-MRXNPFEDSA-N 2 0 345.487 1.649 20 0 EDADRP [NH3+]CCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000261988062 139242077 /nfs/dbraw/zinc/24/20/77/139242077.db2.gz JYBJHZQRMNNCJJ-MRXNPFEDSA-N 2 0 342.447 1.087 20 0 EDADRP C[C@]([NH3+])(C(=O)N1CC[C@H](C[NH3+])C1)c1ccc(Br)cc1 ZINC000262016443 139244067 /nfs/dbraw/zinc/24/40/67/139244067.db2.gz XTYQRUMAQLDOHF-QMTHXVAHSA-N 2 0 326.238 1.430 20 0 EDADRP CCN(C)c1ccc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000262033357 139245380 /nfs/dbraw/zinc/24/53/80/139245380.db2.gz XJYMPKJYWDRILL-KRWDZBQOSA-N 2 0 345.491 1.182 20 0 EDADRP Cc1ncc(C[N@@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC000262067635 139248244 /nfs/dbraw/zinc/24/82/44/139248244.db2.gz BLIRUSSLCWLQOF-GOSISDBHSA-N 2 0 325.460 1.660 20 0 EDADRP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)s2)cn1 ZINC000262098274 139250762 /nfs/dbraw/zinc/25/07/62/139250762.db2.gz IILJCTPMXPRUBQ-OAHLLOKOSA-N 2 0 331.489 1.628 20 0 EDADRP COC(=O)c1ccc(C[NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)cc1 ZINC000414968080 250904352 /nfs/dbraw/zinc/90/43/52/250904352.db2.gz FMHUQMXXCLXNKN-AWEZNQCLSA-N 2 0 345.365 1.399 20 0 EDADRP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000262137154 139254043 /nfs/dbraw/zinc/25/40/43/139254043.db2.gz OXOCSPDPTJDPSQ-ZOWXZIJZSA-N 2 0 325.840 1.535 20 0 EDADRP CC1CC[NH+](C[C@@H]2CCCN(C(=O)C3(C[NH3+])CCOCC3)C2)CC1 ZINC000262137144 139254060 /nfs/dbraw/zinc/25/40/60/139254060.db2.gz GWHSVQSMXWCFCP-KRWDZBQOSA-N 2 0 337.508 1.712 20 0 EDADRP CS[C@@H]1CN(C(=O)Nc2ccc(OCC[NH3+])cc2)C[C@@H]1[NH+](C)C ZINC000415949298 251037989 /nfs/dbraw/zinc/03/79/89/251037989.db2.gz VUKCRERKJRADRL-LSDHHAIUSA-N 2 0 338.477 1.533 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000415572091 304228439 /nfs/dbraw/zinc/22/84/39/304228439.db2.gz MXNPQLHWMMDJPL-HOCLYGCPSA-N 2 0 346.475 1.663 20 0 EDADRP CC[C@H](CNC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000417004531 251127400 /nfs/dbraw/zinc/12/74/00/251127400.db2.gz CNPDEYIMPJFVMY-BMGDILEWSA-N 2 0 330.476 1.954 20 0 EDADRP [NH3+]CC[C@H](NC(=O)NCC[N@@H+]1CCc2ccccc2C1)C(F)F ZINC000417007591 251129403 /nfs/dbraw/zinc/12/94/03/251129403.db2.gz LFIOODBBKZUXKQ-AWEZNQCLSA-N 2 0 326.391 1.326 20 0 EDADRP C[C@@H]1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)C[C@@H]1C[NH3+] ZINC000417012556 251130136 /nfs/dbraw/zinc/13/01/36/251130136.db2.gz XDSSTHBYZSHOSR-QAPCUYQASA-N 2 0 330.476 1.671 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000417012564 251130466 /nfs/dbraw/zinc/13/04/66/251130466.db2.gz XFAOXNOHFAJHHE-HNNXBMFYSA-N 2 0 330.476 1.814 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)Cc1ccccc1 ZINC000417012918 251130541 /nfs/dbraw/zinc/13/05/41/251130541.db2.gz YAERLFQFAOTNCI-QRVBRYPASA-N 2 0 344.503 1.943 20 0 EDADRP C[C@@H]1CN(c2ccc(CNC(=O)N3CC[NH2+][C@@H](C)C3)cn2)C[C@@H](C)O1 ZINC000416997067 251123700 /nfs/dbraw/zinc/12/37/00/251123700.db2.gz XKNDQOCBKCWKQS-RRFJBIMHSA-N 2 0 347.463 1.199 20 0 EDADRP COCC[NH2+]CCNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000417221194 251148024 /nfs/dbraw/zinc/14/80/24/251148024.db2.gz NMPWCFGUDVBRKS-DOTOQJQBSA-N 2 0 334.464 1.357 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)NCc1cccnc1N1CC[NH+](C)CC1 ZINC000417319235 251157329 /nfs/dbraw/zinc/15/73/29/251157329.db2.gz HJDLNKFAVPBNOX-INIZCTEOSA-N 2 0 348.495 1.006 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@@H]2C[C@@H](O)C[NH2+]2)cc1 ZINC000262364905 139273443 /nfs/dbraw/zinc/27/34/43/139273443.db2.gz JCJPMXWTVCXZMQ-OLMNPRSZSA-N 2 0 331.460 1.400 20 0 EDADRP COCC1(CNC(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC[NH2+]CC1 ZINC000417554869 251186585 /nfs/dbraw/zinc/18/65/85/251186585.db2.gz XDZIUIQSMWQOSE-MRXNPFEDSA-N 2 0 340.512 1.422 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H](C)C[C@@H]2C[NH3+])CC1 ZINC000417435465 251173274 /nfs/dbraw/zinc/17/32/74/251173274.db2.gz BMAOUENCPTYBPL-GDBMZVCRSA-N 2 0 326.485 1.256 20 0 EDADRP CCCN(C(=O)[C@@H]([NH3+])COC)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000262372403 139273910 /nfs/dbraw/zinc/27/39/10/139273910.db2.gz LYEWYXGYMABNFX-ROUUACIJSA-N 2 0 333.476 1.863 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000417443076 251176415 /nfs/dbraw/zinc/17/64/15/251176415.db2.gz XAFJGUMDIBJGBF-KRWDZBQOSA-N 2 0 334.464 1.487 20 0 EDADRP CC[NH+]1CCN(Cc2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)CC1 ZINC000262359956 139272934 /nfs/dbraw/zinc/27/29/34/139272934.db2.gz KFLDRNBDAUGROF-GOSISDBHSA-N 2 0 346.475 1.141 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC(OCCC[NH3+])CC1 ZINC000417585353 251198291 /nfs/dbraw/zinc/19/82/91/251198291.db2.gz OUVSYPURZKVJHK-OAHLLOKOSA-N 2 0 326.485 1.400 20 0 EDADRP [NH3+]CCCCNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417589263 251200328 /nfs/dbraw/zinc/20/03/28/251200328.db2.gz GSYNECNIMYNKEF-UHFFFAOYSA-N 2 0 334.464 1.699 20 0 EDADRP CC(C)[C@H]([NH3+])CNC(=O)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000417594151 251201836 /nfs/dbraw/zinc/20/18/36/251201836.db2.gz LNMHQORBLLOKHL-GOSISDBHSA-N 2 0 348.491 1.944 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NCC2([NH+]3CCSCC3)CCCCC2)C1 ZINC000417633906 251210923 /nfs/dbraw/zinc/21/09/23/251210923.db2.gz YELRJLQWFFDPHC-OAHLLOKOSA-N 2 0 340.537 1.741 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)N2CCC[C@@H]2C[NH3+])[C@@H](C)C1 ZINC000417671728 251223405 /nfs/dbraw/zinc/22/34/05/251223405.db2.gz QZBJAVQFUYNUKG-XHSDSOJGSA-N 2 0 326.485 1.256 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000417756120 251258285 /nfs/dbraw/zinc/25/82/85/251258285.db2.gz RSRIXUZLJGWJKH-INIZCTEOSA-N 2 0 326.485 1.128 20 0 EDADRP CCN1CC[NH+](C[C@@H](C)CNC(=O)NCCC[C@H]2CCC[NH2+]2)CC1 ZINC000417761451 251259608 /nfs/dbraw/zinc/25/96/08/251259608.db2.gz ZCGMEOWRRDVMSQ-DLBZAZTESA-N 2 0 339.528 1.091 20 0 EDADRP C[N@H+](CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1 ZINC000417826457 251286866 /nfs/dbraw/zinc/28/68/66/251286866.db2.gz OIYFMAWVNBLCSU-QGZVFWFLSA-N 2 0 334.439 1.793 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000417806367 251277055 /nfs/dbraw/zinc/27/70/55/251277055.db2.gz IMQDXEFMHVYMLZ-DOTOQJQBSA-N 2 0 340.512 1.787 20 0 EDADRP CC(C)OCC[NH+]1CCC(NC(=O)N2CCC[C@@H]([C@H](C)[NH3+])C2)CC1 ZINC000417806661 251279227 /nfs/dbraw/zinc/27/92/27/251279227.db2.gz IZCKXLULQYDCEA-JKSUJKDBSA-N 2 0 340.512 1.645 20 0 EDADRP C[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000417816001 251281641 /nfs/dbraw/zinc/28/16/41/251281641.db2.gz BWJSUFJGMIJSRF-XYJFISCASA-N 2 0 330.476 1.900 20 0 EDADRP CCn1nncc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000418103951 251322492 /nfs/dbraw/zinc/32/24/92/251322492.db2.gz UFEMYAJYWSCROI-UHFFFAOYSA-N 2 0 329.448 1.415 20 0 EDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418434100 251370497 /nfs/dbraw/zinc/37/04/97/251370497.db2.gz VEQMNLVFBMETBF-YJBOKZPZSA-N 2 0 346.475 1.581 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H](CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C1CC1 ZINC000418128213 251337724 /nfs/dbraw/zinc/33/77/24/251337724.db2.gz AGJMIGFVRPQQCU-OTWHNJEPSA-N 2 0 342.487 1.758 20 0 EDADRP CN(C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)C1C[NH2+]C1 ZINC000418154875 251347751 /nfs/dbraw/zinc/34/77/51/251347751.db2.gz KMEFCEYYZVRLQL-KRWDZBQOSA-N 2 0 330.476 1.900 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CCC[NH2+]1 ZINC000418192905 251352619 /nfs/dbraw/zinc/35/26/19/251352619.db2.gz ZEDHPODBVPPZMJ-VDZJLULYSA-N 2 0 348.491 1.746 20 0 EDADRP CC(C)[C@@H]([NH3+])CNC(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418193066 251353347 /nfs/dbraw/zinc/35/33/47/251353347.db2.gz NEVMNTGVLLZKFT-HNNXBMFYSA-N 2 0 337.468 1.195 20 0 EDADRP C[NH2+]CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000418321862 251359526 /nfs/dbraw/zinc/35/95/26/251359526.db2.gz CUPBZUANMUBPRM-ROUUACIJSA-N 2 0 330.476 1.902 20 0 EDADRP C[C@H]1CN(C(=O)N[C@H]2CCC[NH2+]C2)CC[N@H+](Cc2ccccc2)C1 ZINC000418383344 251363425 /nfs/dbraw/zinc/36/34/25/251363425.db2.gz NMJPYMRBIUUBNW-AEFFLSMTSA-N 2 0 330.476 1.902 20 0 EDADRP C[NH+](C)C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)c1ccc(F)cc1 ZINC000418717861 251394692 /nfs/dbraw/zinc/39/46/92/251394692.db2.gz TUOPDLXPMSJRIJ-QWHCGFSZSA-N 2 0 332.370 1.710 20 0 EDADRP COc1c[nH+]ccc1N1CCN(C(=O)NC[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000418721180 251397002 /nfs/dbraw/zinc/39/70/02/251397002.db2.gz LXQYUUTZUGXOAX-CABCVRRESA-N 2 0 347.463 1.439 20 0 EDADRP C[C@H](CCC[NH3+])NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000418685354 251386331 /nfs/dbraw/zinc/38/63/31/251386331.db2.gz DFBCEVLMURAJOL-UKPHBRMFSA-N 2 0 336.455 1.945 20 0 EDADRP O=C(C[C@H]1COCC[NH2+]1)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000262624271 139291047 /nfs/dbraw/zinc/29/10/47/139291047.db2.gz ZYZFWIBRIGOFCA-KRWDZBQOSA-N 2 0 335.423 1.285 20 0 EDADRP O=C(C[NH2+]CC1CC1)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000262641477 139292562 /nfs/dbraw/zinc/29/25/62/139292562.db2.gz KUNURHVIOIUVGT-UHFFFAOYSA-N 2 0 331.460 1.259 20 0 EDADRP CO[C@@H](C[NH3+])CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000262778705 139303060 /nfs/dbraw/zinc/30/30/60/139303060.db2.gz KMVPJGPZSKANJP-CVEARBPZSA-N 2 0 339.867 1.957 20 0 EDADRP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)[C@@H](O)C(C)C)CC[NH2+]CC1 ZINC000423008312 252025256 /nfs/dbraw/zinc/02/52/56/252025256.db2.gz ZVNFCVYRYWZDMG-CABCVRRESA-N 2 0 328.497 1.941 20 0 EDADRP CN(CC[NH2+][C@@H]1CCC[NH2+]CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000423094356 252037065 /nfs/dbraw/zinc/03/70/65/252037065.db2.gz JZUKMBFHIXYHOP-CQSZACIVSA-N 2 0 329.441 1.178 20 0 EDADRP Cn1cc([C@@H]([NH2+]CCCN2CC[NH2+]CC2)c2cccc(F)c2)cn1 ZINC000423176311 252043182 /nfs/dbraw/zinc/04/31/82/252043182.db2.gz GOYOAGROLFZIKB-SFHVURJKSA-N 2 0 331.439 1.534 20 0 EDADRP C[N@H+](CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1)C1CCCCC1 ZINC000423322054 252046240 /nfs/dbraw/zinc/04/62/40/252046240.db2.gz GVPJTFVUHQLBJH-QGZVFWFLSA-N 2 0 333.480 1.802 20 0 EDADRP C[C@H](CNC(=O)c1cn(C)nc1[C@@H]1CCC[NH2+]C1)C[NH+]1CCCC1 ZINC000423345218 252048049 /nfs/dbraw/zinc/04/80/49/252048049.db2.gz NUAVSCMKORNMJY-HUUCEWRRSA-N 2 0 333.480 1.349 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)COC2CC[NH2+]CC2)C1 ZINC000423352264 252048801 /nfs/dbraw/zinc/04/88/01/252048801.db2.gz AEOOBLXAXBOAFD-DLBZAZTESA-N 2 0 337.508 1.868 20 0 EDADRP CCCN(CC[NH+](CC)CC)C(=O)C(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000423414742 252054286 /nfs/dbraw/zinc/05/42/86/252054286.db2.gz NUKWIBSSNPPXPE-MRXNPFEDSA-N 2 0 340.512 1.154 20 0 EDADRP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C1C[NH2+]C1 ZINC000422908041 252018501 /nfs/dbraw/zinc/01/85/01/252018501.db2.gz CUPKOJPLQCEIOQ-OAHLLOKOSA-N 3 0 330.476 1.210 20 0 EDADRP C[C@@H](CNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1)C[NH+]1CCCCC1 ZINC000424136172 252139023 /nfs/dbraw/zinc/13/90/23/252139023.db2.gz QLMAMDBQGYTONL-LSDHHAIUSA-N 2 0 334.468 1.054 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[C@H]1C ZINC000424141179 252140703 /nfs/dbraw/zinc/14/07/03/252140703.db2.gz GWFRWUSPHKRKMX-SOLBZPMBSA-N 2 0 339.524 1.978 20 0 EDADRP COC(=O)c1ccccc1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424282818 252190962 /nfs/dbraw/zinc/19/09/62/252190962.db2.gz ARZFGCGFAXANNR-CQSZACIVSA-N 2 0 345.443 1.876 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000424303688 252193375 /nfs/dbraw/zinc/19/33/75/252193375.db2.gz OQDWMJMBEIDZSO-QAPCUYQASA-N 3 0 337.483 1.893 20 0 EDADRP Cc1cc(C[NH3+])cc(NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1 ZINC000424437033 252230527 /nfs/dbraw/zinc/23/05/27/252230527.db2.gz IHKJSKGDCYFTIQ-INIZCTEOSA-N 2 0 334.464 1.485 20 0 EDADRP CC[NH+]1CCN(CCC[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)CC1 ZINC000425901784 252313324 /nfs/dbraw/zinc/31/33/24/252313324.db2.gz QJJZBGFTMBJSKU-UHFFFAOYSA-N 3 0 335.496 1.259 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000415657151 304249562 /nfs/dbraw/zinc/24/95/62/304249562.db2.gz MZALPQKLIGUYTJ-MLGOLLRUSA-N 2 0 332.448 1.288 20 0 EDADRP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000263230662 139329722 /nfs/dbraw/zinc/32/97/22/139329722.db2.gz NICBEZFNCSIMFO-YVEFUNNKSA-N 2 0 341.858 1.613 20 0 EDADRP c1cc2c(ncnc2NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000263753025 139357808 /nfs/dbraw/zinc/35/78/08/139357808.db2.gz GTYYHTJEFFPQSY-UHFFFAOYSA-N 2 0 337.431 1.977 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000458959094 285245978 /nfs/dbraw/zinc/24/59/78/285245978.db2.gz UETHYTCTTWXEPB-CVEARBPZSA-N 2 0 340.512 1.611 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)c1ccnn1C ZINC000421757188 285247790 /nfs/dbraw/zinc/24/77/90/285247790.db2.gz MHNXJFMMRWZZQH-HZPDHXFCSA-N 2 0 335.496 1.398 20 0 EDADRP C[NH+](C)C/C=C\C(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000491865816 255153493 /nfs/dbraw/zinc/15/34/93/255153493.db2.gz IKFZSZIDPKQTTP-ARJAWSKDSA-N 2 0 331.460 1.377 20 0 EDADRP O=C(/C=C/c1ccc(-n2ccnc2)cc1)NCC[NH+]1CCC(O)CC1 ZINC000493466940 255210065 /nfs/dbraw/zinc/21/00/65/255210065.db2.gz OFWUYTYGRVFBPV-ZZXKWVIFSA-N 2 0 340.427 1.458 20 0 EDADRP CC(C)(C)OC(=O)N1CC[C@@](C)(C[NH2+]C[C@H](O)C[NH+]2CCCC2)C1 ZINC000495336890 255281780 /nfs/dbraw/zinc/28/17/80/255281780.db2.gz NVFCBKPNKONSKA-YJBOKZPZSA-N 2 0 341.496 1.680 20 0 EDADRP CCOCC[NH+]1CCC(C(=O)NCC[N@H+](C)Cc2ccccc2)CC1 ZINC000494563254 255253778 /nfs/dbraw/zinc/25/37/78/255253778.db2.gz SYDHNLPIWXJGHG-UHFFFAOYSA-N 2 0 347.503 1.983 20 0 EDADRP CN(C(=O)CC[C@@H]1CCC[NH2+]1)C1CC[NH+](CCn2cccn2)CC1 ZINC000494714634 255259348 /nfs/dbraw/zinc/25/93/48/255259348.db2.gz XRNPQQGEQQWEGT-INIZCTEOSA-N 2 0 333.480 1.338 20 0 EDADRP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000494740398 255260105 /nfs/dbraw/zinc/26/01/05/255260105.db2.gz PGVLWTMRVMWRGS-HUUCEWRRSA-N 2 0 334.464 1.511 20 0 EDADRP C[C@H]([NH2+]CCCC[NH3+])[C@H]1CN(C(=O)OCc2ccccc2)CCO1 ZINC000496147146 255357249 /nfs/dbraw/zinc/35/72/49/255357249.db2.gz ODSVXFAXQGDLSU-DOTOQJQBSA-N 2 0 335.448 1.741 20 0 EDADRP NC(=[NH2+])NCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000263936736 139370682 /nfs/dbraw/zinc/37/06/82/139370682.db2.gz CBAUMZADMDQNOM-UHFFFAOYSA-N 2 0 329.370 1.701 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CC[N@H+](C)C3CC3)c2)C[C@H]1[NH3+] ZINC000415835964 304279642 /nfs/dbraw/zinc/27/96/42/304279642.db2.gz WTBCZXQURHMTQS-CXAGYDPISA-N 2 0 344.459 1.067 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc3c2OCCO3)CC1 ZINC000264272421 139392193 /nfs/dbraw/zinc/39/21/93/139392193.db2.gz AGEIOMYZAQMHQY-HNNXBMFYSA-N 2 0 334.460 1.982 20 0 EDADRP C[NH+]1CCN(CCNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000264265552 139391650 /nfs/dbraw/zinc/39/16/50/139391650.db2.gz KHDHAFRCVABCMN-UHFFFAOYSA-N 2 0 344.503 1.262 20 0 EDADRP CN(C)CC[N@H+](C)CCCNC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889209 304284390 /nfs/dbraw/zinc/28/43/90/304284390.db2.gz BDRMULAWRDROHW-UHFFFAOYSA-N 2 0 333.480 1.337 20 0 EDADRP C[C@@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177979556 533307649 /nfs/dbraw/zinc/30/76/49/533307649.db2.gz AZPCIKIIQHFXOC-VDZJLULYSA-N 2 0 331.460 1.222 20 0 EDADRP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000154961315 533498400 /nfs/dbraw/zinc/49/84/00/533498400.db2.gz FFTQVUXVZUSITQ-ZWKOTPCHSA-N 3 0 348.535 1.914 20 0 EDADRP COC(=O)COc1ccccc1[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](C)CC1 ZINC000183558442 533573040 /nfs/dbraw/zinc/57/30/40/533573040.db2.gz FCGPNORVCGREOL-HOTGVXAUSA-N 2 0 349.475 1.525 20 0 EDADRP C[NH+](C)C1CCN(CCNC(=O)Nc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000571180706 306560140 /nfs/dbraw/zinc/56/01/40/306560140.db2.gz NVDHIJYUPJRTCU-UHFFFAOYSA-N 2 0 345.491 1.480 20 0 EDADRP C[N@@H+]1CC[C@@H]2OCCN(C(=O)CC[NH+]3CCc4ccccc4C3)[C@H]2C1 ZINC000416240475 304299555 /nfs/dbraw/zinc/29/95/55/304299555.db2.gz JRPZUJJBTCLESA-OALUTQOASA-N 2 0 343.471 1.366 20 0 EDADRP Cc1nn2c(C[NH2+]CC3(O)CC[NH+](C(C)C)CC3)c(C)nc2s1 ZINC000271229138 140260227 /nfs/dbraw/zinc/26/02/27/140260227.db2.gz PXOZFWMPZORCNF-UHFFFAOYSA-N 2 0 337.493 1.733 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)NCC2=CC[N@H+](C)CC2)ccn1 ZINC000271927540 140374146 /nfs/dbraw/zinc/37/41/46/140374146.db2.gz SWLXHSLYRHBNEO-UHFFFAOYSA-N 2 0 347.463 1.083 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N3CC[NH2+]C[C@@H]3C)c(C)c2)CC1 ZINC000333079584 141260040 /nfs/dbraw/zinc/26/00/40/141260040.db2.gz ANVYCNWXKFRTKN-INIZCTEOSA-N 2 0 345.491 1.963 20 0 EDADRP C[C@@]1(CNC(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CCC[NH2+]C1 ZINC000333162238 141273973 /nfs/dbraw/zinc/27/39/73/141273973.db2.gz GOTZKYGRYREVCU-MAUKXSAKSA-N 2 0 338.496 1.176 20 0 EDADRP [NH3+]C1CCC([NH2+][C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)CC1 ZINC000333240536 141286302 /nfs/dbraw/zinc/28/63/02/141286302.db2.gz DSHMZIIAZMJYCP-JXQTWKCFSA-N 2 0 343.518 1.761 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC([C@@H]3[NH2+]CC3(C)C)CC2)C1 ZINC000333465968 141321600 /nfs/dbraw/zinc/32/16/00/141321600.db2.gz ZXJQAIDPOLXEIY-HOTGVXAUSA-N 2 0 338.496 1.127 20 0 EDADRP C[C@H]1[NH2+]CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)[C@@H]1C ZINC000333627514 141347151 /nfs/dbraw/zinc/34/71/51/141347151.db2.gz GBBGZHXKFPDSEG-AHEZYBDSSA-N 2 0 348.466 1.911 20 0 EDADRP C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000333637708 141348764 /nfs/dbraw/zinc/34/87/64/141348764.db2.gz HQUOMNMMZRWBKH-RDJZCZTQSA-N 2 0 338.496 1.271 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)NC[C@@H](C(C)C)[NH+]1CCN(C)CC1 ZINC000339851172 142177315 /nfs/dbraw/zinc/17/73/15/142177315.db2.gz TXMQMFJKKWDHAE-SJORKVTESA-N 2 0 341.544 1.288 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CC[C@H](OCC[NH+]2CCCC2)C1 ZINC000339906383 142196639 /nfs/dbraw/zinc/19/66/39/142196639.db2.gz BIYDTTXFOGILKJ-KRWDZBQOSA-N 2 0 328.416 1.661 20 0 EDADRP CCC[NH+](CCC)CCCNC(=O)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000343029678 142789151 /nfs/dbraw/zinc/78/91/51/142789151.db2.gz UBKHZAZVJOXERI-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@H](C[NH+](C)C)Nc1nc2ccccc2c(N[C@@H](C)C[NH+](C)C)n1 ZINC000343804324 142891561 /nfs/dbraw/zinc/89/15/61/142891561.db2.gz JHAJFTDMKKRSGF-UONOGXRCSA-N 2 0 330.480 1.198 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000344747531 143006635 /nfs/dbraw/zinc/00/66/35/143006635.db2.gz MQKRVQVBBFYWCP-WDSOQIARSA-N 2 0 345.487 1.591 20 0 EDADRP C[N@H+](CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)[C@@H]1CCSC1 ZINC000345069462 143046519 /nfs/dbraw/zinc/04/65/19/143046519.db2.gz RJKPXZIWRSDELO-NUJGCVRESA-N 2 0 333.501 1.985 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[NH+](CC)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000345357908 143082101 /nfs/dbraw/zinc/08/21/01/143082101.db2.gz VOFVHEOQFDOUAW-HZPDHXFCSA-N 2 0 328.501 1.203 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+](C(C)C)C(C)C)[N@H+](C)C1 ZINC000345666400 143118895 /nfs/dbraw/zinc/11/88/95/143118895.db2.gz NIGJYNPCDHIYNW-HZPDHXFCSA-N 2 0 328.501 1.466 20 0 EDADRP CC[N@@H+]1C[C@H](C)N(C(=O)NCC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC000345732276 143126819 /nfs/dbraw/zinc/12/68/19/143126819.db2.gz IIBAHWUBVZGTDK-CABCVRRESA-N 2 0 326.485 1.221 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000346207030 143178902 /nfs/dbraw/zinc/17/89/02/143178902.db2.gz RUNLXTVLBMGZEL-KXBFYZLASA-N 2 0 341.459 1.728 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NC[C@@H](C)[N@@H+]2CCCC[C@H]2C)[NH+](C)C1 ZINC000346248457 143183362 /nfs/dbraw/zinc/18/33/62/143183362.db2.gz XCCOTWWMPYTOQV-QBPKDAKJSA-N 2 0 340.512 1.610 20 0 EDADRP C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)C(=O)NCC[NH+](C)C)CC[N@@H+]1C ZINC000347278469 143303049 /nfs/dbraw/zinc/30/30/49/143303049.db2.gz VNGDKRCXJBPDIM-NZSAHSFTSA-N 3 0 346.519 1.348 20 0 EDADRP C[NH2+]C[C@H]1CCCN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000416843311 304351156 /nfs/dbraw/zinc/35/11/56/304351156.db2.gz OKUAVWLGDZNIKZ-MSOLQXFVSA-N 2 0 330.476 1.902 20 0 EDADRP COc1c(O)cccc1C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000352690442 149118786 /nfs/dbraw/zinc/11/87/86/149118786.db2.gz FDLRLJIHSDZNHL-UHFFFAOYSA-N 2 0 335.448 1.291 20 0 EDADRP C[C@@H]1CN(C(=O)N[C@H]2CC[NH+]3CCC[C@H]3C2)CC[N@@H+]1CC(C)(C)O ZINC000369923778 155234206 /nfs/dbraw/zinc/23/42/06/155234206.db2.gz PHQODKFBYULQKS-PMPSAXMXSA-N 2 0 338.496 1.100 20 0 EDADRP C[NH2+][C@H](C)CNC(=O)NCc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000416964749 304356452 /nfs/dbraw/zinc/35/64/52/304356452.db2.gz CSHRYMGXPQVAJQ-PMPSAXMXSA-N 2 0 348.491 1.703 20 0 EDADRP C[C@H]1CCC[N@H+](Cc2ccccc2CNC(=O)N(CC[NH3+])CCO)C1 ZINC000416964674 304356497 /nfs/dbraw/zinc/35/64/97/304356497.db2.gz CHCFNNKLNITLMR-INIZCTEOSA-N 2 0 348.491 1.381 20 0 EDADRP CN(C(=O)NCc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000416965682 304356701 /nfs/dbraw/zinc/35/67/01/304356701.db2.gz DKGUSEXEPYTGRW-KRWDZBQOSA-N 2 0 348.491 1.911 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1NC(=O)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000416969863 304357467 /nfs/dbraw/zinc/35/74/67/304357467.db2.gz CXDRGKHTBREAFR-QAPCUYQASA-N 2 0 345.491 1.863 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416972747 304358034 /nfs/dbraw/zinc/35/80/34/304358034.db2.gz SUZVJAJKLURKBV-NVXWUHKLSA-N 2 0 348.491 1.896 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)NCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000416972746 304358085 /nfs/dbraw/zinc/35/80/85/304358085.db2.gz SUZVJAJKLURKBV-DOTOQJQBSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH2+][C@@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000416972526 304358209 /nfs/dbraw/zinc/35/82/09/304358209.db2.gz IPDWEIZKMJALBA-GOSISDBHSA-N 2 0 330.476 1.697 20 0 EDADRP [NH3+]C[C@@H]1CCN(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000416972487 304358313 /nfs/dbraw/zinc/35/83/13/304358313.db2.gz ILXKBNQDNOGLRK-KRWDZBQOSA-N 2 0 330.476 1.684 20 0 EDADRP C[C@@H](C[NH3+])NC(=O)NCc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000416974153 304358761 /nfs/dbraw/zinc/35/87/61/304358761.db2.gz WKKXSJVVNIITQF-RRFJBIMHSA-N 2 0 334.464 1.442 20 0 EDADRP C[NH+](C)CCOc1ccc(CNC(=O)N2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000416974145 304358768 /nfs/dbraw/zinc/35/87/68/304358768.db2.gz WJHDURLOPCZLSO-JQHSSLGASA-N 2 0 346.475 1.506 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000354678855 149916818 /nfs/dbraw/zinc/91/68/18/149916818.db2.gz WMRSNIDELPCFMW-SJORKVTESA-N 2 0 346.475 1.184 20 0 EDADRP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354948201 150049803 /nfs/dbraw/zinc/04/98/03/150049803.db2.gz QJUILELJDZKPPA-SJLPKXTDSA-N 2 0 336.524 1.488 20 0 EDADRP CCOC(=O)[C@](C)(O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355068569 150101622 /nfs/dbraw/zinc/10/16/22/150101622.db2.gz ZVSKFTZMTVWQIF-GOSISDBHSA-N 2 0 326.481 1.889 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NCC(C)(C)C[NH+]2CCCC2)[C@@H](C)C1 ZINC000355499264 150294041 /nfs/dbraw/zinc/29/40/41/150294041.db2.gz FOBZVGUEWKIAKV-HOTGVXAUSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)C[NH+]2C[C@H](C)C[C@H](C)[C@H]2C)C1 ZINC000355781474 150398622 /nfs/dbraw/zinc/39/86/22/150398622.db2.gz CTQMTBHUBLAKQN-XMTFNYHQSA-N 2 0 339.524 1.826 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)NC[C@H](C)C[NH3+])CC2)c1 ZINC000417050128 304366961 /nfs/dbraw/zinc/36/69/61/304366961.db2.gz IWSUDFGDFFENAZ-QGZVFWFLSA-N 2 0 347.507 1.401 20 0 EDADRP CSC1(CNC(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC[NH+](C)CC1 ZINC000357734850 151131693 /nfs/dbraw/zinc/13/16/93/151131693.db2.gz WXGOOHFXZQPYHW-HUUCEWRRSA-N 2 0 340.537 1.740 20 0 EDADRP COCCN1CCC([NH2+][C@@H]2CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000357859917 151174762 /nfs/dbraw/zinc/17/47/62/151174762.db2.gz XLCITZMVVKXBTA-GOSISDBHSA-N 2 0 349.450 1.627 20 0 EDADRP CCCC[N@H+](C)C[C@@H](C)NC(=O)N[C@H](C)CC[NH+]1CCN(C)CC1 ZINC000357921152 151196796 /nfs/dbraw/zinc/19/67/96/151196796.db2.gz PREFPLMWYVKBCD-IAGOWNOFSA-N 2 0 341.544 1.432 20 0 EDADRP CC[N@@H+]1CC[C@H](NCc2cccc(NS(C)(=O)=O)c2)[C@H](C)C1 ZINC000358082104 151263610 /nfs/dbraw/zinc/26/36/10/151263610.db2.gz IZNRABXDJDBIFM-CJNGLKHVSA-N 2 0 325.478 1.878 20 0 EDADRP C[C@H]([NH2+]C[C@]1(O)CCN(C)C1)c1ccc(OCc2nccn2C)cc1 ZINC000358255133 151318257 /nfs/dbraw/zinc/31/82/57/151318257.db2.gz QCDLHCPPIFJVES-HNAYVOBHSA-N 2 0 344.459 1.716 20 0 EDADRP CCCN(CCN1CC[NH+](CC)CC1)C(=O)NC1CC[NH+](C)CC1 ZINC000358487215 151392264 /nfs/dbraw/zinc/39/22/64/151392264.db2.gz VKOZFKKMVSZRFA-UHFFFAOYSA-N 2 0 339.528 1.140 20 0 EDADRP CCCCOC[C@H](O)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000370061402 155309011 /nfs/dbraw/zinc/30/90/11/155309011.db2.gz UGFPBNXHHSKMON-GOSISDBHSA-N 2 0 328.497 1.598 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)NC[C@]2([NH+](C)C)CCSC2)CC1 ZINC000360412839 152029090 /nfs/dbraw/zinc/02/90/90/152029090.db2.gz IPWUICMZKGSWRP-QGZVFWFLSA-N 2 0 342.553 1.987 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)N1CCN(CCOCC)CC1 ZINC000360797607 152209798 /nfs/dbraw/zinc/20/97/98/152209798.db2.gz JKSRSONKCAQYMQ-MRXNPFEDSA-N 2 0 328.501 1.471 20 0 EDADRP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cn(C)nc2C(F)F)CC1 ZINC000361182207 152327977 /nfs/dbraw/zinc/32/79/77/152327977.db2.gz XCCYSCMQKREGEI-LBPRGKRZSA-N 2 0 330.423 1.882 20 0 EDADRP C[NH2+]C[C@H](C)CNC(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000417152976 304378298 /nfs/dbraw/zinc/37/82/98/304378298.db2.gz JCSAXHKXUXJAFO-AWEZNQCLSA-N 2 0 336.455 1.945 20 0 EDADRP [NH3+]C[C@@H]1CCCCN1C(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000417161272 304379522 /nfs/dbraw/zinc/37/95/22/304379522.db2.gz QNDUIGXNSXAXTM-KRWDZBQOSA-N 2 0 331.464 1.569 20 0 EDADRP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000364275661 153194213 /nfs/dbraw/zinc/19/42/13/153194213.db2.gz ZUAWVUUTMBXDGS-GOSISDBHSA-N 2 0 344.503 1.647 20 0 EDADRP Cc1nccc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n1 ZINC000364292891 153198764 /nfs/dbraw/zinc/19/87/64/153198764.db2.gz QTYYBGKEKZUWOY-QGZVFWFLSA-N 2 0 346.479 1.095 20 0 EDADRP Cn1c(CN2CCC[C@H](C[NH+]3CCN(C)CC3)C2)nnc1C1CCC1 ZINC000364679952 153301673 /nfs/dbraw/zinc/30/16/73/153301673.db2.gz XPTNQWMKJGNLNG-MRXNPFEDSA-N 2 0 346.523 1.542 20 0 EDADRP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC3CC3)C2)c1 ZINC000364730065 153316132 /nfs/dbraw/zinc/31/61/32/153316132.db2.gz ZRFLHSHFIUGYPW-KGLIPLIRSA-N 2 0 345.447 1.501 20 0 EDADRP COC[C@]1(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CCC[NH2+]1 ZINC000417216130 304385278 /nfs/dbraw/zinc/38/52/78/304385278.db2.gz OMMVNXCUSFZYPR-KBAYOESNSA-N 2 0 340.512 1.565 20 0 EDADRP COCC1(CNC(=O)NCC[N@H+](C)Cc2ccccc2)CC[NH2+]CC1 ZINC000417233090 304386574 /nfs/dbraw/zinc/38/65/74/304386574.db2.gz RJFRCFMXOUEYPS-UHFFFAOYSA-N 2 0 348.491 1.434 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000417342106 304392554 /nfs/dbraw/zinc/39/25/54/304392554.db2.gz CBZYODYAFARSMP-UHFFFAOYSA-N 2 0 348.491 1.816 20 0 EDADRP O=C(c1ccn([C@@H]2CCC[NH2+]C2)n1)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000368712550 154694153 /nfs/dbraw/zinc/69/41/53/154694153.db2.gz ORHCUPNENIPMLX-CVEARBPZSA-N 2 0 331.464 1.412 20 0 EDADRP C[N@H+](CCCO)C1CCN(C(=O)N[C@@H]2CC[NH+]3CCC[C@@H]3C2)CC1 ZINC000369581395 155097637 /nfs/dbraw/zinc/09/76/37/155097637.db2.gz BPYNYWMZXIWNCY-NVXWUHKLSA-N 2 0 338.496 1.101 20 0 EDADRP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000369598778 155103383 /nfs/dbraw/zinc/10/33/83/155103383.db2.gz CXBZEYYFKRJOPY-RTBURBONSA-N 2 0 345.487 1.830 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NCc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC000417477470 304398817 /nfs/dbraw/zinc/39/88/17/304398817.db2.gz GSZVMRGWJAVSPX-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP [NH3+][C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)C[C@@H]1c1ccc(F)cc1 ZINC000372228313 156277750 /nfs/dbraw/zinc/27/77/50/156277750.db2.gz RQPBPUBHSIQCSF-QZTJIDSGSA-N 2 0 339.414 1.575 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000417547841 304404784 /nfs/dbraw/zinc/40/47/84/304404784.db2.gz PIIWIGWXNDPYKV-HOCLYGCPSA-N 2 0 340.512 1.693 20 0 EDADRP CN1CCO[C@H](C(=O)NC[C@H]2CSCCN2Cc2ccccc2)C1 ZINC000373879825 157045601 /nfs/dbraw/zinc/04/56/01/157045601.db2.gz CSXPCIPHGOMCOX-IRXDYDNUSA-N 2 0 349.500 1.051 20 0 EDADRP Cc1nc(C2CC[NH+](CCCN3CC[NH+](C(C)C)CC3)CC2)no1 ZINC000374324248 157242253 /nfs/dbraw/zinc/24/22/53/157242253.db2.gz JZOGRFPAFQMDOB-UHFFFAOYSA-N 2 0 335.496 1.974 20 0 EDADRP C[NH+]1CCN(c2cc(C(=O)N3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccn2)CC1 ZINC000374595851 157340605 /nfs/dbraw/zinc/34/06/05/157340605.db2.gz QBIKLAQLKITJEY-ULQDDVLXSA-N 2 0 343.475 1.033 20 0 EDADRP C[C@H]1CN(Cc2nc(C(C)(C)C)no2)CCN1C1CC[NH+](C)CC1 ZINC000374608810 157344569 /nfs/dbraw/zinc/34/45/69/157344569.db2.gz XMCWNEFNLFTITR-AWEZNQCLSA-N 2 0 335.496 1.967 20 0 EDADRP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000377028072 157868628 /nfs/dbraw/zinc/86/86/28/157868628.db2.gz BPVKGFAEJPDEJR-RBUKOAKNSA-N 3 0 339.572 1.665 20 0 EDADRP COCCN1CCN(C(=O)[C@@H]2CCCN2Cc2ccccn2)C[C@@H]1C ZINC000377966675 158041911 /nfs/dbraw/zinc/04/19/11/158041911.db2.gz VWDFMAKKBJCEIJ-WMZOPIPTSA-N 2 0 346.475 1.225 20 0 EDADRP Cc1nccn1C[C@H](C)CNC(=O)N1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000378113231 158082096 /nfs/dbraw/zinc/08/20/96/158082096.db2.gz GBXJIAOGMNSANP-BFYDXBDKSA-N 2 0 349.479 1.332 20 0 EDADRP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCCNS(=O)(=O)c1ccccc1Cl ZINC000423099632 304886105 /nfs/dbraw/zinc/88/61/05/304886105.db2.gz MAYUMOPQWXAWJM-STQMWFEESA-N 2 0 331.869 1.478 20 0 EDADRP CC[NH+](CC)CCS(=O)(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000352322741 162116773 /nfs/dbraw/zinc/11/67/73/162116773.db2.gz RYERUDLPKBGMGJ-UHFFFAOYSA-N 2 0 333.542 1.760 20 0 EDADRP [NH3+]CCC[N@@H+](CC(=O)NCc1ccc2c(c1)OCO2)CC1CCCC1 ZINC000352510044 162220441 /nfs/dbraw/zinc/22/04/41/162220441.db2.gz MCHHCTAQCKCMAI-UHFFFAOYSA-N 2 0 347.459 1.873 20 0 EDADRP CC(C)(CNC(=O)N1CCC(OCCC[NH3+])CC1)C[NH+]1CCCC1 ZINC000418064041 304453366 /nfs/dbraw/zinc/45/33/66/304453366.db2.gz ITYMSOAZJNDNJA-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCC2(C[NH+](C)C)CCCC2)[C@@H](C)C1 ZINC000355095645 287090343 /nfs/dbraw/zinc/09/03/43/287090343.db2.gz QJMABAJCBIVXOZ-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP Cc1ccccc1[C@H]([C@H](C)NC(=O)N1CCCO[C@H](C[NH3+])C1)[NH+](C)C ZINC000418183072 304461231 /nfs/dbraw/zinc/46/12/31/304461231.db2.gz NUTQGURRJGRKCO-JZXOWHBKSA-N 2 0 348.491 1.745 20 0 EDADRP CSC1(CNC(=O)NCCC[C@@H]2CCC[NH2+]2)CC[NH+](C)CC1 ZINC000418205745 304463540 /nfs/dbraw/zinc/46/35/40/304463540.db2.gz ZSVINVWOZKMYIM-AWEZNQCLSA-N 2 0 328.526 1.645 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000073424258 287259834 /nfs/dbraw/zinc/25/98/34/287259834.db2.gz GNAHSKXLKAHNGH-UHFFFAOYSA-N 2 0 346.475 1.859 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)NC[C@@H]2CCC[N@@H+]2CC)CC1 ZINC000073677523 287263629 /nfs/dbraw/zinc/26/36/29/287263629.db2.gz PMIWKBHPQIRMLD-KRWDZBQOSA-N 2 0 339.528 1.188 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000074134190 287267946 /nfs/dbraw/zinc/26/79/46/287267946.db2.gz HPHSFADKFYZGBF-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP CC(C)[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH+]1CCN(C)CC1 ZINC000075182235 287275922 /nfs/dbraw/zinc/27/59/22/287275922.db2.gz JMCVADDLSDCNKP-LJQANCHMSA-N 2 0 346.519 1.750 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079733281 287302455 /nfs/dbraw/zinc/30/24/55/287302455.db2.gz NSJAXYHNDWBLQP-ROUUACIJSA-N 2 0 344.503 1.943 20 0 EDADRP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)C1 ZINC000081572892 287314255 /nfs/dbraw/zinc/31/42/55/287314255.db2.gz NJYGICLVOKCGRQ-OAHLLOKOSA-N 2 0 346.475 1.778 20 0 EDADRP Cc1cccc(OCCNC(=O)CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000158662672 225061868 /nfs/dbraw/zinc/06/18/68/225061868.db2.gz ROPGZPFXMBGKTD-IEBWSBKVSA-N 2 0 345.487 1.906 20 0 EDADRP CCn1cc([C@H](C)[NH2+]Cc2ccnc(N3CC[NH+](C)CC3)c2)cn1 ZINC000159124888 225152662 /nfs/dbraw/zinc/15/26/62/225152662.db2.gz QSSNGYXCNLXTKV-HNNXBMFYSA-N 2 0 328.464 1.901 20 0 EDADRP COC1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000159139330 225154620 /nfs/dbraw/zinc/15/46/20/225154620.db2.gz ARUQVTIBAWHEJO-UHFFFAOYSA-N 2 0 331.460 1.490 20 0 EDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)C1CC[NH2+]CC1 ZINC000168878489 226224721 /nfs/dbraw/zinc/22/47/21/226224721.db2.gz KWTJSNUREYKJMR-UHFFFAOYSA-N 2 0 325.522 1.854 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000418374898 304487778 /nfs/dbraw/zinc/48/77/78/304487778.db2.gz DDBKJXDBNAJYHS-BHYGNILZSA-N 2 0 332.448 1.192 20 0 EDADRP CN(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000237156064 273008320 /nfs/dbraw/zinc/00/83/20/273008320.db2.gz BDZJOFBAKLJTMS-QZTJIDSGSA-N 2 0 338.540 1.674 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1)c1ccccc1 ZINC000274605077 268167885 /nfs/dbraw/zinc/16/78/85/268167885.db2.gz MJVBJNAUTLJRHM-YZGWKJHDSA-N 2 0 345.487 1.953 20 0 EDADRP C[C@@H]1C[N@H+](CCC(=O)N2CCN(C)CC2)C[C@@H](c2ccccc2)O1 ZINC000275317091 268321224 /nfs/dbraw/zinc/32/12/24/268321224.db2.gz SHRWLYMJESTILN-AEFFLSMTSA-N 2 0 331.460 1.613 20 0 EDADRP Cc1nn(C)c2ncc(C[NH2+]CCC[N@@H+]3CCCO[C@@H](C)C3)cc12 ZINC000278017766 273241079 /nfs/dbraw/zinc/24/10/79/273241079.db2.gz WHVLRMVEOOPUPV-AWEZNQCLSA-N 2 0 331.464 1.867 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)c1 ZINC000278937726 273274003 /nfs/dbraw/zinc/27/40/03/273274003.db2.gz FUHJKEPPPAFYDK-OAHLLOKOSA-N 2 0 327.432 1.478 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1C[C@@H](O)C[NH2+]1)c1ccccc1Cl ZINC000236836442 276113638 /nfs/dbraw/zinc/11/36/38/276113638.db2.gz OVMBYOXLCKKLGG-WQVCFCJDSA-N 2 0 339.867 1.562 20 0 EDADRP CCC[C@H](C(=O)N1CCC(CC[NH+]2CCN(C)CC2)CC1)[NH+](C)C ZINC000367454790 276281594 /nfs/dbraw/zinc/28/15/94/276281594.db2.gz WPEREMXRTRDSTF-GOSISDBHSA-N 2 0 338.540 1.593 20 0 EDADRP CC[NH+]1CCN(c2ccc(CN[C@@H](C)[C@@H]3CCCC[NH2+]3)cn2)CC1 ZINC000422881136 276388311 /nfs/dbraw/zinc/38/83/11/276388311.db2.gz PMQZAMBOWIEJOE-WMZOPIPTSA-N 2 0 331.508 1.844 20 0 EDADRP C[N@@H+]1CCCN(c2ccc(NC(=O)C[NH2+]C[C@H]3CCCO3)cc2)CC1 ZINC000269304909 277052371 /nfs/dbraw/zinc/05/23/71/277052371.db2.gz SMHYPRKUMBQAQD-GOSISDBHSA-N 2 0 346.475 1.536 20 0 EDADRP COC[C@@]1(CNC(=O)NCCC[N@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000416875547 277256470 /nfs/dbraw/zinc/25/64/70/277256470.db2.gz RDWQPMDUXWDZLX-IBGZPJMESA-N 2 0 348.491 1.576 20 0 EDADRP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361183233 278033076 /nfs/dbraw/zinc/03/30/76/278033076.db2.gz QMWXFRUJFZQHCF-PBHICJAKSA-N 2 0 331.460 1.860 20 0 EDADRP C[C@H](C(=O)N1CCCC[C@@H]1CNC(=O)CC[NH3+])[C@H]([NH3+])c1ccccc1 ZINC000262774922 278138472 /nfs/dbraw/zinc/13/84/72/278138472.db2.gz KRBZEJMGDQVJQB-LESCRADOSA-N 2 0 346.475 1.169 20 0 EDADRP C[C@H](C[NH2+][C@@H](c1ccccc1)c1cncnc1)N1CC[NH+](C)CC1 ZINC000349450169 278208937 /nfs/dbraw/zinc/20/89/37/278208937.db2.gz GOWYBPXUUAMCGU-APWZRJJASA-N 2 0 325.460 1.792 20 0 EDADRP C[C@H]([NH3+])C1CCN(C(=O)c2ccnc(N3CC[NH+](C)CC3)c2)CC1 ZINC000178861874 278224670 /nfs/dbraw/zinc/22/46/70/278224670.db2.gz GRCCEHFNHKWNRO-AWEZNQCLSA-N 2 0 331.464 1.033 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000155109110 278261040 /nfs/dbraw/zinc/26/10/40/278261040.db2.gz UEWRFUCBWNQLEN-HBFSDRIKSA-N 2 0 345.535 1.518 20 0 EDADRP CCC[NH+]1CCN(C2CC[NH+](C[C@@H]3CC4(CCC4)C(=O)O3)CC2)CC1 ZINC000372815737 278824948 /nfs/dbraw/zinc/82/49/48/278824948.db2.gz PZKYRIBUWYQBFP-SFHVURJKSA-N 2 0 349.519 1.964 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000366034824 279276981 /nfs/dbraw/zinc/27/69/81/279276981.db2.gz SMWWLCFOOQNXID-MSOLQXFVSA-N 2 0 336.524 1.488 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)N[C@H](C)[C@H]1CCOC1 ZINC000341242583 279302562 /nfs/dbraw/zinc/30/25/62/279302562.db2.gz WZHOCNGZJZKFIK-IXDOHACOSA-N 2 0 340.512 1.469 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)S(=O)(=O)c1ccc(C)o1 ZINC000358457307 279329919 /nfs/dbraw/zinc/32/99/19/279329919.db2.gz CRBMNMWGDUGVSZ-HNNXBMFYSA-N 2 0 343.493 1.625 20 0 EDADRP C[C@@H](C[NH+](C)C)NC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000286966488 288127367 /nfs/dbraw/zinc/12/73/67/288127367.db2.gz DWXHVWJQNMPZIA-INIZCTEOSA-N 2 0 332.492 1.943 20 0 EDADRP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C)N2CC[NH+](C)CC2)C12CCOCC2 ZINC000248976595 279817348 /nfs/dbraw/zinc/81/73/48/279817348.db2.gz HUSXULLBFIMABN-GVDBMIGSSA-N 2 0 325.497 1.186 20 0 EDADRP CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000367552958 280011011 /nfs/dbraw/zinc/01/10/11/280011011.db2.gz OSCMFSDPLUOSRI-ARFHVFGLSA-N 2 0 329.510 1.263 20 0 EDADRP O=C(Nc1ccc2c(c1F)CC[NH2+]C2)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424163359 280029647 /nfs/dbraw/zinc/02/96/47/280029647.db2.gz DLBQWGZNGWSLKI-LBPRGKRZSA-N 2 0 344.394 1.240 20 0 EDADRP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC1([NH+](C)C)CCOCC1 ZINC000168330563 288193414 /nfs/dbraw/zinc/19/34/14/288193414.db2.gz YHUJCHMFPWDQDN-SQNIBIBYSA-N 2 0 339.524 1.576 20 0 EDADRP C[C@@H]1C[N@H+](C[C@H]2CN(C)CCO2)CCN1CCC[NH+]1CCCCC1 ZINC000372461181 288207623 /nfs/dbraw/zinc/20/76/23/288207623.db2.gz ZQWKNNZLFFARFR-RTBURBONSA-N 2 0 338.540 1.199 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000346650328 288217775 /nfs/dbraw/zinc/21/77/75/288217775.db2.gz GVPPWVIRGGXKOY-OWYHZJEWSA-N 2 0 327.472 1.775 20 0 EDADRP C[C@@H](O)C[N@@H+]1CCN(C(=O)NCc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000287459637 288242873 /nfs/dbraw/zinc/24/28/73/288242873.db2.gz GZQYTAJNGWIJNL-JKSUJKDBSA-N 2 0 348.491 1.345 20 0 EDADRP C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)C1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000342567965 288301020 /nfs/dbraw/zinc/30/10/20/288301020.db2.gz LTXHSZMQFDTFBN-DJIMGWMZSA-N 2 0 337.533 1.899 20 0 EDADRP CN(C(=O)c1cccc(CN2CC[NH+](C)CC2)c1)C1CC[NH2+]CC1 ZINC000125415445 288923247 /nfs/dbraw/zinc/92/32/47/288923247.db2.gz FSCAJGJTRUTQKN-UHFFFAOYSA-N 2 0 330.476 1.258 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC000331224460 289224731 /nfs/dbraw/zinc/22/47/31/289224731.db2.gz XDQBPMOAPMTDTN-HZPDHXFCSA-N 2 0 339.505 1.899 20 0 EDADRP C[C@H](C(=O)NCCc1ccc(F)cc1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292214372 289290956 /nfs/dbraw/zinc/29/09/56/289290956.db2.gz UKGLKWFIJBPZRA-DNVCBOLYSA-N 2 0 333.451 1.901 20 0 EDADRP C[C@H](C[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1)CN1CC[NH+](C)CC1 ZINC000292362600 289326348 /nfs/dbraw/zinc/32/63/48/289326348.db2.gz YTUMUMGXKMPAFU-IAGOWNOFSA-N 2 0 346.519 1.923 20 0 EDADRP [NH3+]CC1CCC([NH2+]CCCCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000423066215 295224014 /nfs/dbraw/zinc/22/40/14/295224014.db2.gz WLGNCENFTRMLED-UHFFFAOYSA-N 2 0 336.480 1.738 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@H](C)CC[NH3+])[NH+]2CCCC2)cc1 ZINC000416829046 295241836 /nfs/dbraw/zinc/24/18/36/295241836.db2.gz SVVXMRSGEXCSEF-PBHICJAKSA-N 2 0 334.464 1.869 20 0 EDADRP C[C@H](CC[NH3+])NC(=O)N[C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1 ZINC000418514625 304506749 /nfs/dbraw/zinc/50/67/49/304506749.db2.gz AWYURYRHDZZPEF-IFUGULHKSA-N 2 0 326.391 1.447 20 0 EDADRP [NH3+]CCCCNC(=O)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000418513270 304506926 /nfs/dbraw/zinc/50/69/26/304506926.db2.gz RNLDJNWVSDQCOQ-UHFFFAOYSA-N 2 0 326.485 1.259 20 0 EDADRP C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000418527892 304508787 /nfs/dbraw/zinc/50/87/87/304508787.db2.gz QKVBIOOQPRZOCW-OAHLLOKOSA-N 2 0 326.485 1.128 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2NC(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000418573148 304514483 /nfs/dbraw/zinc/51/44/83/304514483.db2.gz ZTELKSUPOLEROM-RNJTYBCJSA-N 2 0 346.475 1.438 20 0 EDADRP C[C@H]1C[NH2+]CC[C@@H]1NC(=O)N(CC[NH+](C)C)Cc1cccc(F)c1 ZINC000418607030 304518187 /nfs/dbraw/zinc/51/81/87/304518187.db2.gz ZXHHTWSRYVRYJD-YOEHRIQHSA-N 2 0 336.455 1.897 20 0 EDADRP CCCN(C(=O)C(=O)NCCC[NH+](C(C)C)C(C)C)[C@@H]1CC[NH2+]C1 ZINC000419661834 304654125 /nfs/dbraw/zinc/65/41/25/304654125.db2.gz GHFNUFALDURQPR-MRXNPFEDSA-N 2 0 340.512 1.212 20 0 EDADRP C[C@H]1C[NH+](CC2CCN(C(=O)C34CCC[NH+]3CCC4)CC2)C[C@H](C)O1 ZINC000370595922 300251501 /nfs/dbraw/zinc/25/15/01/300251501.db2.gz AUWASVYPQLOVEN-IRXDYDNUSA-N 2 0 349.519 1.963 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000419720213 304670789 /nfs/dbraw/zinc/67/07/89/304670789.db2.gz YGXLSDFMASMCLB-AWEZNQCLSA-N 2 0 326.485 1.001 20 0 EDADRP C[C@H]1[NH2+]CCC[C@H]1C(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000377565981 300573132 /nfs/dbraw/zinc/57/31/32/300573132.db2.gz UOWWUCZGLYNSNC-HUUCEWRRSA-N 2 0 325.522 1.852 20 0 EDADRP CC[NH+]1CCC(N2CCCN(C(=O)Cc3ccccc3O)CC2)CC1 ZINC000422025579 447314423 /nfs/dbraw/zinc/31/44/23/447314423.db2.gz SLGAQJZMLNEJMZ-UHFFFAOYSA-N 2 0 345.487 1.953 20 0 EDADRP COC[C@@H](Cc1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414751275 447321448 /nfs/dbraw/zinc/32/14/48/447321448.db2.gz ABVQKBMBPGLPJU-ZWKOTPCHSA-N 2 0 333.476 1.373 20 0 EDADRP CC[NH+]1CCN(c2ccc(NC(=O)N(C)[C@H](C)C[NH3+])c(C)c2)CC1 ZINC000414753922 447322425 /nfs/dbraw/zinc/32/24/25/447322425.db2.gz RJVJQFQNTLNBBW-OAHLLOKOSA-N 2 0 333.480 1.948 20 0 EDADRP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000349830828 302727409 /nfs/dbraw/zinc/72/74/09/302727409.db2.gz RWVNMDALDLQAKH-MRXNPFEDSA-N 3 0 342.491 1.691 20 0 EDADRP C[C@H](CNC(=O)CC[NH+]1CCN(c2ccccc2)CC1)C[NH+](C)C ZINC000293950748 303043151 /nfs/dbraw/zinc/04/31/51/303043151.db2.gz VMSZGXDYKMUVFC-QGZVFWFLSA-N 2 0 332.492 1.513 20 0 EDADRP C[C@@H](C(=O)Nc1ccnn1CC[NH+](C)C)[N@H+](C)Cc1ccccc1 ZINC000294013463 303051886 /nfs/dbraw/zinc/05/18/86/303051886.db2.gz IUXVRWJTSBWVNW-HNNXBMFYSA-N 2 0 329.448 1.904 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1ccc2c(c1)NC(=O)CO2)N1CC[NH+](C)CC1 ZINC000294459699 303110536 /nfs/dbraw/zinc/11/05/36/303110536.db2.gz YVCGKEBZOCKAGO-KRWDZBQOSA-N 2 0 346.475 1.379 20 0 EDADRP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000294981201 303159210 /nfs/dbraw/zinc/15/92/10/303159210.db2.gz GXQUSUFSPMWYCP-IAGOWNOFSA-N 2 0 346.475 1.054 20 0 EDADRP CCn1cc([C@H](C)[NH2+]CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)cn1 ZINC000296009882 303289671 /nfs/dbraw/zinc/28/96/71/303289671.db2.gz LDMZBZLXTMXDEA-MAUKXSAKSA-N 2 0 343.475 1.973 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC000296310830 303309241 /nfs/dbraw/zinc/30/92/41/303309241.db2.gz GNTZDEFIXDPCPU-SJORKVTESA-N 2 0 332.492 1.701 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)C(=O)N[C@H]2CC[NH+](CCOC)C2)[C@H](C)C1 ZINC000448524690 447327512 /nfs/dbraw/zinc/32/75/12/447327512.db2.gz KITODJSRFCIKGK-PMPSAXMXSA-N 2 0 326.485 1.079 20 0 EDADRP C[C@H](CNC(=O)NCc1ccc2c[nH+]cn2c1)C[NH+]1CCN(C)CC1 ZINC000297300331 303382756 /nfs/dbraw/zinc/38/27/56/303382756.db2.gz QJXYVTQGFSZFNE-OAHLLOKOSA-N 2 0 344.463 1.017 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CCCCC3)C2)cc1 ZINC000414860384 447331277 /nfs/dbraw/zinc/33/12/77/447331277.db2.gz VGKGZRRPPXSGBT-KRWDZBQOSA-N 2 0 344.459 1.431 20 0 EDADRP C[C@@H](C[NH+]1CCCCC1)NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000303985068 303746997 /nfs/dbraw/zinc/74/69/97/303746997.db2.gz HZMPURPUEZEUJF-DLBZAZTESA-N 2 0 340.512 1.253 20 0 EDADRP O=C(N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC[C@@H]1[C@H]1CCC[NH2+]C1 ZINC000333927422 303890666 /nfs/dbraw/zinc/89/06/66/303890666.db2.gz WJAWTKKLXDUKGL-DISONHOPSA-N 2 0 334.508 1.938 20 0 EDADRP C[C@H]([NH3+])c1ccc(NC(=O)C(=O)N2CC[C@H]([NH+]3CC=CC3)C2)cc1 ZINC000414879225 447341182 /nfs/dbraw/zinc/34/11/82/447341182.db2.gz IDVNNOWZOZCKQA-BBRMVZONSA-N 2 0 328.416 1.118 20 0 EDADRP CC[NH+]1CCC(CCNC(=O)C(=O)Nc2ccc(C[NH2+]C)cc2)CC1 ZINC000414885643 447343242 /nfs/dbraw/zinc/34/32/42/447343242.db2.gz PAJOBNDKXSQIHL-UHFFFAOYSA-N 2 0 346.475 1.583 20 0 EDADRP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCN(S(=O)(=O)c2cccs2)C1 ZINC000423133711 304888103 /nfs/dbraw/zinc/88/81/03/304888103.db2.gz VYLZFRYNSVZTEO-QWHCGFSZSA-N 2 0 331.507 1.618 20 0 EDADRP Brc1cccc2c1C[C@@H]([NH2+]CCN1CC[NH2+]CC1)CC2 ZINC000423211518 304889565 /nfs/dbraw/zinc/88/95/65/304889565.db2.gz YNMNNNRDHHYNAN-AWEZNQCLSA-N 2 0 338.293 1.801 20 0 EDADRP COCC1(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC[NH2+]CC1 ZINC000423380521 304894189 /nfs/dbraw/zinc/89/41/89/304894189.db2.gz DTHSJEJPCVEXDE-OAHLLOKOSA-N 2 0 329.448 1.934 20 0 EDADRP C[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423497254 304897590 /nfs/dbraw/zinc/89/75/90/304897590.db2.gz YOBWKYDTTMSDJM-YDHLFZDLSA-N 2 0 325.478 1.715 20 0 EDADRP CO[C@@H](C[NH3+])C(=O)N(CC[NH+]1CCCC1)Cc1ccc(Cl)cc1 ZINC000423757026 304908935 /nfs/dbraw/zinc/90/89/35/304908935.db2.gz MANPRNPUCQBWJI-INIZCTEOSA-N 2 0 339.867 1.738 20 0 EDADRP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](Cc1ccccc1)C(=O)NCC[NH+](C)C ZINC000425361234 304961715 /nfs/dbraw/zinc/96/17/15/304961715.db2.gz UCWKQPALSAAWHI-YESZJQIVSA-N 2 0 335.517 1.759 20 0 EDADRP CC(C)[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)N1CCN(C)CC1 ZINC000425894565 304976252 /nfs/dbraw/zinc/97/62/52/304976252.db2.gz GTQJOAFFSNVVRY-IBGZPJMESA-N 2 0 349.523 1.503 20 0 EDADRP Cc1ccccc1CCNC(=O)C[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430574781 305056796 /nfs/dbraw/zinc/05/67/96/305056796.db2.gz UEMKSGGAICUAEZ-UHFFFAOYSA-N 2 0 333.476 1.484 20 0 EDADRP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000430609205 305058651 /nfs/dbraw/zinc/05/86/51/305058651.db2.gz HIIXDMYHLLMUKD-HOTGVXAUSA-N 2 0 346.475 1.417 20 0 EDADRP C[C@H](Cc1c(F)cccc1F)NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000430648667 305061110 /nfs/dbraw/zinc/06/11/10/305061110.db2.gz ZPZDPXKLEHLMOF-GFCCVEGCSA-N 2 0 325.403 1.683 20 0 EDADRP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)NCC1([NH+]2CCCC2)CCOCC1 ZINC000430718548 305063107 /nfs/dbraw/zinc/06/31/07/305063107.db2.gz GUGWYFLFALNQBU-ALOPSCKCSA-N 2 0 335.492 1.668 20 0 EDADRP COCC[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH2+]C1 ZINC000430771116 305064467 /nfs/dbraw/zinc/06/44/67/305064467.db2.gz BGNULFIIJCFPAO-ICSRJNTNSA-N 2 0 345.487 1.783 20 0 EDADRP COc1ccccc1[C@@H](N)C(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000430803985 305064906 /nfs/dbraw/zinc/06/49/06/305064906.db2.gz WOPQLNJJTSGPTC-CRAIPNDOSA-N 2 0 331.460 1.885 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)c1 ZINC000430889527 305067031 /nfs/dbraw/zinc/06/70/31/305067031.db2.gz NVBCUGALKWLPTD-DLBZAZTESA-N 2 0 349.475 1.387 20 0 EDADRP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)NC[C@@H]2COc3ccccc3O2)CC1 ZINC000430923967 305068463 /nfs/dbraw/zinc/06/84/63/305068463.db2.gz HDRCZAVMZQXZSQ-OFQRWUPVSA-N 2 0 347.459 1.390 20 0 EDADRP C[NH2+]CC1CC[NH+](CC(=O)NCCCOC2CCCCC2)CC1 ZINC000430941919 305069713 /nfs/dbraw/zinc/06/97/13/305069713.db2.gz AFWPQDBAUJCRLP-UHFFFAOYSA-N 2 0 325.497 1.773 20 0 EDADRP C[C@@H]1C[N@@H+](C2CCN(C(=O)[C@H](C[NH3+])c3ccccc3)CC2)CCO1 ZINC000431063647 305073989 /nfs/dbraw/zinc/07/39/89/305073989.db2.gz GEZZJGXAJUENNK-CRAIPNDOSA-N 2 0 331.460 1.441 20 0 EDADRP Cc1ccc(N(C)C2CCN(Cc3nc(C(C)(C)[NH3+])no3)CC2)nn1 ZINC000431069839 305074142 /nfs/dbraw/zinc/07/41/42/305074142.db2.gz IGADGSVAUIAXCE-UHFFFAOYSA-N 2 0 345.451 1.463 20 0 EDADRP CC(C)[C@@H](C[NH3+])C(=O)Nc1ccccc1C[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC000433120394 305100851 /nfs/dbraw/zinc/10/08/51/305100851.db2.gz YSYSTWFGKQUEQN-JKSUJKDBSA-N 2 0 346.475 1.553 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000433122363 305101090 /nfs/dbraw/zinc/10/10/90/305101090.db2.gz VOVBICVZFIAIAS-UHFFFAOYSA-N 3 0 344.503 1.364 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)NCc2ccn(-c3ccccc3)n2)CC1 ZINC000433125720 305101129 /nfs/dbraw/zinc/10/11/29/305101129.db2.gz LSDHLWIDPXXCMW-UHFFFAOYSA-N 2 0 341.459 1.692 20 0 EDADRP CC[NH+]1CCN([C@H](C)CNC(=O)c2ccccc2C[NH+](C)C)CC1 ZINC000433348507 305106068 /nfs/dbraw/zinc/10/60/68/305106068.db2.gz AAZQYUHIFAWHHC-MRXNPFEDSA-N 2 0 332.492 1.504 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)c2ncn([C@@H]3CCC[NH2+]C3)n2)c1 ZINC000433381942 305107081 /nfs/dbraw/zinc/10/70/81/305107081.db2.gz MICFBIOLLCXLMZ-OAHLLOKOSA-N 2 0 328.420 1.517 20 0 EDADRP C[C@@H]1C[N@H+](CCCNC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCO1 ZINC000433384673 305107148 /nfs/dbraw/zinc/10/71/48/305107148.db2.gz DSLPOTCESUKHFD-ZACQAIPSSA-N 2 0 340.512 1.659 20 0 EDADRP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433385515 305107425 /nfs/dbraw/zinc/10/74/25/305107425.db2.gz BHRQVDRLJLMXLK-CVEARBPZSA-N 2 0 348.495 1.587 20 0 EDADRP C[C@@H](CNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1)[N@@H+]1CCCC[C@H]1C ZINC000433387092 305107487 /nfs/dbraw/zinc/10/74/87/305107487.db2.gz QFUDMZVERMEZNO-ILXRZTDVSA-N 2 0 334.468 1.195 20 0 EDADRP C[C@H]([NH3+])CCC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC000434684560 305127659 /nfs/dbraw/zinc/12/76/59/305127659.db2.gz LQYZBBFECCXFSI-DZGCQCFKSA-N 2 0 332.448 1.450 20 0 EDADRP [NH3+]CCCn1ccc2cc(C(=O)N(C3CC3)[C@H]3CC[NH2+]C3)ccc21 ZINC000435235169 305137572 /nfs/dbraw/zinc/13/75/72/305137572.db2.gz CSKKMDOBIPTOMC-KRWDZBQOSA-N 2 0 326.444 1.957 20 0 EDADRP CC[NH+]1CCN([C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000440956979 305214741 /nfs/dbraw/zinc/21/47/41/305214741.db2.gz LQFKCBWVXYHLRN-FUHWJXTLSA-N 2 0 336.524 1.536 20 0 EDADRP C[N@@H+]1CCN(CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1(C)C ZINC000442964267 305232292 /nfs/dbraw/zinc/23/22/92/305232292.db2.gz KGDXQWMXFCVULB-QGZVFWFLSA-N 2 0 336.524 1.536 20 0 EDADRP CS(=O)(=O)c1ccc(OCCC[N@@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443055693 305234253 /nfs/dbraw/zinc/23/42/53/305234253.db2.gz BHVQVTMVOFGXPS-HNNXBMFYSA-N 2 0 340.489 1.920 20 0 EDADRP C[C@@H](CNc1nc2ccccc2c(NC[C@H](C)[NH+](C)C)n1)[NH+](C)C ZINC000443426172 305238312 /nfs/dbraw/zinc/23/83/12/305238312.db2.gz JJFUGJYFVBDDHV-KBPBESRZSA-N 2 0 330.480 1.198 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)[C@]2([NH3+])[C@@H]3CCCO[C@H]3C2(C)C)C1 ZINC000446365063 305263774 /nfs/dbraw/zinc/26/37/74/305263774.db2.gz YUDTVJFOVFJIIC-TVKQPGBESA-N 2 0 349.519 1.709 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccnn3C)cn2)CC1 ZINC000447532905 305281550 /nfs/dbraw/zinc/28/15/50/305281550.db2.gz VUWAAXFDUZVZKS-OAHLLOKOSA-N 2 0 328.464 1.808 20 0 EDADRP C[NH+](C)[C@@]1(CNC(=O)[C@@]2(c3ccccc3)CC[NH2+]C2)CCSC1 ZINC000449326791 305311584 /nfs/dbraw/zinc/31/15/84/305311584.db2.gz ZEUBMQMCJKYDID-MSOLQXFVSA-N 2 0 333.501 1.471 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C[C@@H]1CC ZINC000449347821 305312166 /nfs/dbraw/zinc/31/21/66/305312166.db2.gz JGDIEXMWIGQSDE-YESZJQIVSA-N 2 0 325.497 1.853 20 0 EDADRP CC[C@H](C(=O)NC[C@H](O)C[NH+]1CCCCC1)[N@H+](C)Cc1ccccc1 ZINC000450247420 305328293 /nfs/dbraw/zinc/32/82/93/305328293.db2.gz XYGOWKFXWSBGEF-RBUKOAKNSA-N 2 0 347.503 1.860 20 0 EDADRP Cc1nn(C)c(N2CCOCC2)c1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000451229773 305334625 /nfs/dbraw/zinc/33/46/25/305334625.db2.gz RMMHXDQXKRZHSO-UHFFFAOYSA-N 2 0 337.512 1.775 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC(C)(C)C[NH+](C)C)c1 ZINC000457654665 305493930 /nfs/dbraw/zinc/49/39/30/305493930.db2.gz TTWQTRGUHUJOAA-UHFFFAOYSA-N 2 0 336.480 1.766 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000471634179 305537502 /nfs/dbraw/zinc/53/75/02/305537502.db2.gz FIHLZVQNAMNKIB-UHFFFAOYSA-N 2 0 340.512 1.661 20 0 EDADRP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000414913006 447354847 /nfs/dbraw/zinc/35/48/47/447354847.db2.gz VMVFEWGYEAAUNA-HNNXBMFYSA-N 2 0 346.475 1.535 20 0 EDADRP O=C(NC[C@H]1[NH2+]CCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000515621149 305725481 /nfs/dbraw/zinc/72/54/81/305725481.db2.gz ZGTLTWNRZFGNJN-QGZVFWFLSA-N 2 0 328.460 1.659 20 0 EDADRP Cc1cnc(CNC(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)s1 ZINC000525819030 305827885 /nfs/dbraw/zinc/82/78/85/305827885.db2.gz GYTILTWSJMDWOU-UHFFFAOYSA-N 2 0 341.525 1.867 20 0 EDADRP O[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)CC1(O)CCC1 ZINC000528395089 305871540 /nfs/dbraw/zinc/87/15/40/305871540.db2.gz LLZYQWKCYJZNQY-INIZCTEOSA-N 2 0 326.481 1.229 20 0 EDADRP C[C@H]([NH2+]Cc1cnc(N(C)C)n1C)C(=O)N1c2ccccc2C[C@@H]1C ZINC000419707770 447363267 /nfs/dbraw/zinc/36/32/67/447363267.db2.gz FZRBSSHOCOCMKL-KBPBESRZSA-N 2 0 341.459 1.942 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)C[C@H]1CCC[N@@H+]1CC ZINC000414928502 447361194 /nfs/dbraw/zinc/36/11/94/447361194.db2.gz QCXFQODNPUEZHX-MRXNPFEDSA-N 2 0 346.475 1.677 20 0 EDADRP CCN1CCO[C@H](C(=O)N2CC[N@H+](Cc3ccccc3)C[C@H](C)C2)C1 ZINC000456333500 447363864 /nfs/dbraw/zinc/36/38/64/447363864.db2.gz LPDVNTGHKQIXMP-HKUYNNGSSA-N 2 0 345.487 1.688 20 0 EDADRP Cn1cnc(-c2ccc(C(=O)N(CC[NH+](C)C)CC[NH+](C)C)cc2)n1 ZINC000540952326 306042631 /nfs/dbraw/zinc/04/26/31/306042631.db2.gz IRPBMJDLSCJHTG-UHFFFAOYSA-N 2 0 344.463 1.048 20 0 EDADRP C[C@H](NC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)C1=CC[N@H+](C)CC1 ZINC000542823913 306059047 /nfs/dbraw/zinc/05/90/47/306059047.db2.gz UPOPLXJGFDAVSI-DOTOQJQBSA-N 2 0 338.496 1.029 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCN2CCC3)C1 ZINC000551891737 306165970 /nfs/dbraw/zinc/16/59/70/306165970.db2.gz CSUVZJWQYKPYTA-XDNAFOTISA-N 2 0 334.508 1.240 20 0 EDADRP CC[NH2+]Cc1ccccc1NC(=O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000414951436 447371367 /nfs/dbraw/zinc/37/13/67/447371367.db2.gz PUYAQMRFQLEYBA-JKSUJKDBSA-N 2 0 346.475 1.724 20 0 EDADRP Cc1ncc(CN2CCN(C(=O)[C@H]3CC[NH2+][C@H]3C(C)C)CC2)s1 ZINC000377818328 447372822 /nfs/dbraw/zinc/37/28/22/447372822.db2.gz ZFONZJGIWBVADW-HOTGVXAUSA-N 2 0 336.505 1.730 20 0 EDADRP FC(F)(F)[C@H](C[NH2+]Cc1cccc2c1NCC2)N1CC[NH2+]CC1 ZINC000414962583 447375133 /nfs/dbraw/zinc/37/51/33/447375133.db2.gz AFDGGXVPXMSRCR-AWEZNQCLSA-N 2 0 328.382 1.580 20 0 EDADRP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](N1CC[NH2+]CC1)C(F)(F)F ZINC000414964783 447377429 /nfs/dbraw/zinc/37/74/29/447377429.db2.gz CFDDRBGGECKOPG-OAHLLOKOSA-N 2 0 347.429 1.471 20 0 EDADRP CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)C(=O)Nc1ccc(C[NH3+])cc1 ZINC000414985281 447385324 /nfs/dbraw/zinc/38/53/24/447385324.db2.gz HJKCNUBOFJWLKQ-KRWDZBQOSA-N 2 0 346.475 1.711 20 0 EDADRP CCOC1CC(C[NH2+]C[C@@H]2CC[NH2+][C@@H](C)C2)(N2CCOCC2)C1 ZINC000415110320 447388988 /nfs/dbraw/zinc/38/89/88/447388988.db2.gz SMZJXJKFTQXEPL-KNXWPPODSA-N 2 0 325.497 1.234 20 0 EDADRP C[NH2+]Cc1ccccc1NC(=O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000415300946 447405545 /nfs/dbraw/zinc/40/55/45/447405545.db2.gz SFRHBEQKUOTCLL-HNNXBMFYSA-N 2 0 332.448 1.286 20 0 EDADRP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCC1([NH3+])CCCCC1 ZINC000419779589 447407470 /nfs/dbraw/zinc/40/74/70/447407470.db2.gz PLERDHWPDGAHHU-AWEZNQCLSA-N 2 0 338.496 1.001 20 0 EDADRP C[NH2+]CCC1CCN(C(=O)C(=O)NCC[NH+](C(C)C)C(C)C)CC1 ZINC000419795643 447417158 /nfs/dbraw/zinc/41/71/58/447417158.db2.gz KUEGEAYJFYHVQA-UHFFFAOYSA-N 2 0 340.512 1.070 20 0 EDADRP CC(C)C[C@@H](C[NH3+])NC(=O)C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000415424286 447424497 /nfs/dbraw/zinc/42/44/97/447424497.db2.gz HUAPHJNPCKGBPD-INIZCTEOSA-N 2 0 334.464 1.219 20 0 EDADRP CCN(CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1)Cc1ccoc1 ZINC000102408464 441168930 /nfs/dbraw/zinc/16/89/30/441168930.db2.gz PFBMCVNUOOHGQQ-KRWDZBQOSA-N 2 0 337.464 1.575 20 0 EDADRP CCC[NH+]1CCC(NC(=O)NC[C@H](O)C[NH+]2CCC(C)CC2)CC1 ZINC000080457868 441172486 /nfs/dbraw/zinc/17/24/86/441172486.db2.gz LBJMCOTTYCJCQQ-KRWDZBQOSA-N 2 0 340.512 1.253 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)COc1ccc(Cl)cc1 ZINC000103211338 441176765 /nfs/dbraw/zinc/17/67/65/441176765.db2.gz UAHOQVIXQQOCSF-UHFFFAOYSA-N 2 0 327.856 1.671 20 0 EDADRP CCCC[C@@H](C(=O)OC)[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000072597176 441239786 /nfs/dbraw/zinc/23/97/86/441239786.db2.gz JDQYWFFFWTWHLR-HNNXBMFYSA-N 2 0 327.469 1.108 20 0 EDADRP C[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000104880113 441218354 /nfs/dbraw/zinc/21/83/54/441218354.db2.gz WWSKVTHPNXSHDT-DOTOQJQBSA-N 2 0 344.459 1.417 20 0 EDADRP CC[NH+]1CCN(CC(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000072963345 441279954 /nfs/dbraw/zinc/27/99/54/441279954.db2.gz BOYXPLMICMXRHL-QZTJIDSGSA-N 2 0 338.540 1.498 20 0 EDADRP CC[N@@H+]1CCC[C@H](CNC(=O)CC2([NH+]3CCOCC3)CCCC2)C1 ZINC000073125194 441296541 /nfs/dbraw/zinc/29/65/41/441296541.db2.gz WWNOABPEFVYJLW-QGZVFWFLSA-N 2 0 337.508 1.870 20 0 EDADRP C[NH+]1CCC(CCNC(=O)CC2([NH+]3CCOCC3)CCCC2)CC1 ZINC000073228565 441303023 /nfs/dbraw/zinc/30/30/23/441303023.db2.gz HRPJAGDDFFUSQD-UHFFFAOYSA-N 2 0 337.508 1.870 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N1CC[C@@H]([NH+](C)Cc2ccccc2)C1 ZINC000074065054 441388051 /nfs/dbraw/zinc/38/80/51/441388051.db2.gz WHYBHBDCVHVEJE-GOSISDBHSA-N 2 0 348.491 1.481 20 0 EDADRP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCN(C[C@@H]2CCCC[NH+]2C)CC1 ZINC000107284000 441407852 /nfs/dbraw/zinc/40/78/52/441407852.db2.gz JPSMADYWVMCSNA-ROUUACIJSA-N 2 0 336.524 1.489 20 0 EDADRP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(C(=O)OC)cc3)C2)CC1 ZINC000107368662 441412493 /nfs/dbraw/zinc/41/24/93/441412493.db2.gz HXBAWLAFYKCDIG-SFHVURJKSA-N 2 0 331.460 1.685 20 0 EDADRP C[C@@H]1C[N@@H+](CCCNC(=O)NC[C@@H]2CCC[NH+](C)C2)C[C@H](C)O1 ZINC000108547215 441463053 /nfs/dbraw/zinc/46/30/53/441463053.db2.gz PZGTVJFOQIGPRH-XHSDSOJGSA-N 2 0 326.485 1.127 20 0 EDADRP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CC(=O)N(C)C2)CC1 ZINC000088698054 441517175 /nfs/dbraw/zinc/51/71/75/441517175.db2.gz OJDJYMZJWXLWHZ-KRWDZBQOSA-N 2 0 330.476 1.539 20 0 EDADRP C[C@@H]1CCCN1C(=O)CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000075718672 441551384 /nfs/dbraw/zinc/55/13/84/441551384.db2.gz WKJIXUPREJSUQL-MSOLQXFVSA-N 2 0 336.524 1.489 20 0 EDADRP CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000041605833 441663524 /nfs/dbraw/zinc/66/35/24/441663524.db2.gz MNWHVQSCMVLMJA-CQSZACIVSA-N 2 0 334.464 1.533 20 0 EDADRP Cn1cc(CC[NH+]2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cn1 ZINC000077282354 441746083 /nfs/dbraw/zinc/74/60/83/441746083.db2.gz JBQOUXIARWLKCU-UHFFFAOYSA-N 2 0 341.503 1.712 20 0 EDADRP COc1cccc([C@@H](CNC(=O)N[C@H](C)CC[NH+](C)C)[NH+](C)C)c1 ZINC000068598237 441830282 /nfs/dbraw/zinc/83/02/82/441830282.db2.gz YNTBJFOJDQMLDG-RHSMWYFYSA-N 2 0 336.480 1.937 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CCN(CC(F)(F)F)CC2)CC1 ZINC000150953499 441980850 /nfs/dbraw/zinc/98/08/50/441980850.db2.gz DIXVMDZBUJWCIB-UHFFFAOYSA-N 2 0 336.446 1.629 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)N1CC[NH+](CC(C)(C)O)CC1)c1ccccc1 ZINC000151113230 442008081 /nfs/dbraw/zinc/00/80/81/442008081.db2.gz ITMQJOJEHJUHDN-QGZVFWFLSA-N 2 0 348.491 1.387 20 0 EDADRP CC(C)[C@@H]([NH3+])CCN(C)C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000161891061 442040344 /nfs/dbraw/zinc/04/03/44/442040344.db2.gz BXPVETOOWWGJDV-IBGZPJMESA-N 2 0 346.519 1.879 20 0 EDADRP C[NH+](C)Cc1cccc(CNC(=O)N2CC[NH+](CC(C)(C)O)CC2)c1 ZINC000151371837 442050404 /nfs/dbraw/zinc/05/04/04/442050404.db2.gz XGSWLFURYRSAAV-UHFFFAOYSA-N 2 0 348.491 1.346 20 0 EDADRP CC[NH+](CC)CCOc1ccc(C(=O)N2CCN(C)C[C@H]2C[NH3+])cc1 ZINC000162615800 442109841 /nfs/dbraw/zinc/10/98/41/442109841.db2.gz BEKVNXRMODUXKR-QGZVFWFLSA-N 2 0 348.491 1.122 20 0 EDADRP Cc1cc2c(cc1C)O[C@@H](C(=O)N(CC[NH+](C)C)CC[NH+](C)C)C2 ZINC000080061157 442111522 /nfs/dbraw/zinc/11/15/22/442111522.db2.gz HLMTWGUYPSUPLK-GOSISDBHSA-N 2 0 333.476 1.559 20 0 EDADRP CCC[N@H+](CC)CCNC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000175770976 442118937 /nfs/dbraw/zinc/11/89/37/442118937.db2.gz BYKRKPNXSSCXQR-UHFFFAOYSA-N 2 0 349.479 1.654 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCNS(=O)(=O)c1ccccc1 ZINC000162474113 442096542 /nfs/dbraw/zinc/09/65/42/442096542.db2.gz IBBCTULQGRNQQG-YCPHGPKFSA-N 2 0 325.478 1.283 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCN2CC[NH+](C)CC2)[C@H](C)C1 ZINC000162509917 442099340 /nfs/dbraw/zinc/09/93/40/442099340.db2.gz VWERSUGBASCMCH-MOPGFXCFSA-N 3 0 340.556 1.351 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1cnn(C)c1 ZINC000163518239 442171260 /nfs/dbraw/zinc/17/12/60/442171260.db2.gz UWTUUXPVUGFXTA-CQSZACIVSA-N 2 0 335.496 1.697 20 0 EDADRP CC[N@H+](CCNC(=O)N[C@@H]1CCCN(c2ccccn2)C1)C1CC1 ZINC000127226960 442182981 /nfs/dbraw/zinc/18/29/81/442182981.db2.gz MWKYJBCCAQOCQY-OAHLLOKOSA-N 2 0 331.464 1.834 20 0 EDADRP O=C(C[NH2+]C[C@@H]1CCCO1)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000165040136 442205649 /nfs/dbraw/zinc/20/56/49/442205649.db2.gz QKHYAFCYYKTOJY-ZWKOTPCHSA-N 2 0 331.460 1.708 20 0 EDADRP Cc1cc(OCC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)cc(C)[nH+]1 ZINC000128205680 442252514 /nfs/dbraw/zinc/25/25/14/442252514.db2.gz YBCZLBDWCBNMPW-KRWDZBQOSA-N 2 0 335.448 1.550 20 0 EDADRP C[C@@H](CC(=O)N1CCC(C[NH+]2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000165055398 442205722 /nfs/dbraw/zinc/20/57/22/442205722.db2.gz UNQVYJOWQYNBDZ-INIZCTEOSA-N 2 0 337.508 1.583 20 0 EDADRP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[NH+]1CCN(CCO)CC1 ZINC000168898366 442225286 /nfs/dbraw/zinc/22/52/86/442225286.db2.gz KEDIFRQQSIUTRP-FQEVSTJZSA-N 2 0 331.504 1.962 20 0 EDADRP C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000176563204 442234648 /nfs/dbraw/zinc/23/46/48/442234648.db2.gz CXRTUWLMYQZISU-ULQDDVLXSA-N 2 0 340.512 1.611 20 0 EDADRP CC[NH+](CC(=O)N1CCN(C(=O)C[N@@H+](CC)C(C)C)CC1)C(C)C ZINC000128414287 442265492 /nfs/dbraw/zinc/26/54/92/442265492.db2.gz DBIUXIFTRNVLHR-UHFFFAOYSA-N 2 0 340.512 1.118 20 0 EDADRP COC(=O)CNC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000176916814 442272698 /nfs/dbraw/zinc/27/26/98/442272698.db2.gz ZHVBIFUDLOSSSQ-NVXWUHKLSA-N 2 0 347.459 1.261 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[NH+]2CCC(C3CCOCC3)CC2)CC1 ZINC000153720369 442298237 /nfs/dbraw/zinc/29/82/37/442298237.db2.gz NMNLDHGYEJLOEF-UHFFFAOYSA-N 2 0 337.508 1.726 20 0 EDADRP C[C@H]1C[C@@H](NC(=O)N2CCC([NH+](C)CCCO)CC2)C[N@@H+]1C1CC1 ZINC000130257878 442342459 /nfs/dbraw/zinc/34/24/59/442342459.db2.gz WXKITEZMOJJBEA-LSDHHAIUSA-N 2 0 338.496 1.100 20 0 EDADRP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC2CCOCC2)CC1 ZINC000172431460 442460149 /nfs/dbraw/zinc/46/01/49/442460149.db2.gz CDMKYACCBNHIJS-UHFFFAOYSA-N 2 0 339.524 1.973 20 0 EDADRP CC[C@@H](C)[NH+](C)CC(=O)N1CCN(C(=O)C[N@@H+](C)[C@@H](C)CC)CC1 ZINC000178734983 442468730 /nfs/dbraw/zinc/46/87/30/442468730.db2.gz ONYNYTWFENIAFZ-IYBDPMFKSA-N 2 0 340.512 1.118 20 0 EDADRP CC[NH+](CC)[C@@H]1CCN(C(=O)N[C@@H](C)CC[NH+]2CCN(C)CC2)C1 ZINC000186136403 442469987 /nfs/dbraw/zinc/46/99/87/442469987.db2.gz BDIOFBCVLAOSQP-DLBZAZTESA-N 2 0 339.528 1.138 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000156730634 442514723 /nfs/dbraw/zinc/51/47/23/442514723.db2.gz NHUWKCOPVXLOCF-KRWDZBQOSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+]1CCN(CCOc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)CC1 ZINC000178891334 442516696 /nfs/dbraw/zinc/51/66/96/442516696.db2.gz UYDPSGIYOPULRU-UHFFFAOYSA-N 2 0 346.475 1.251 20 0 EDADRP O[C@H](COC1CCOCC1)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134883393 442531818 /nfs/dbraw/zinc/53/18/18/442531818.db2.gz MWTVKQCFBUEGPR-AYBZRNKSSA-N 2 0 338.492 1.492 20 0 EDADRP COCC[N@H+](C)CCNC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000179151670 442583501 /nfs/dbraw/zinc/58/35/01/442583501.db2.gz GEMPUWZWTNGCSO-IRXDYDNUSA-N 2 0 334.464 1.309 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)[C@@]2([NH3+])C[C@H](OCC)C2(C)C)CC1 ZINC000186707775 442597378 /nfs/dbraw/zinc/59/73/78/442597378.db2.gz KUQVOYHBXXOPPX-YJBOKZPZSA-N 2 0 325.497 1.900 20 0 EDADRP CSCC[C@@H]([NH3+])C(=O)N1CCCN(Cc2cscn2)CC1 ZINC000157279664 442567108 /nfs/dbraw/zinc/56/71/08/442567108.db2.gz VKDJEIQYWFKVGX-CYBMUJFWSA-N 2 0 328.507 1.258 20 0 EDADRP CC1CC[NH+](CCNC(=O)N2CC[N@H+](CC(C)(C)O)[C@H](C)C2)CC1 ZINC000187398001 442674179 /nfs/dbraw/zinc/67/41/79/442674179.db2.gz CTENQVJWCBUTMO-MRXNPFEDSA-N 2 0 340.512 1.205 20 0 EDADRP CCCNC(=O)[C@H]1CCC[N@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000192727980 442680807 /nfs/dbraw/zinc/68/08/07/442680807.db2.gz CNBRHVDACOYSJQ-SFHVURJKSA-N 2 0 338.540 1.641 20 0 EDADRP COC[C@@H](C)C[NH2+]Cc1cccc(C[N@@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000187886026 442696522 /nfs/dbraw/zinc/69/65/22/442696522.db2.gz SZUWOYPJDPPYHU-YJBOKZPZSA-N 2 0 333.476 1.756 20 0 EDADRP C[NH+](C)CCn1c2cc(NC(=O)c3coc(C[NH3+])c3)ccc2oc1=O ZINC000188142863 442715762 /nfs/dbraw/zinc/71/57/62/442715762.db2.gz GJUIKRCRIAQHNC-UHFFFAOYSA-N 2 0 344.371 1.460 20 0 EDADRP C[C@@H]1C[NH+](Cc2ccc(CNC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C[C@@H](C)O1 ZINC000188713360 442795500 /nfs/dbraw/zinc/79/55/00/442795500.db2.gz TTWFMFLFHJWQQD-KJWYOANISA-N 2 0 349.450 1.612 20 0 EDADRP COCC[N@@H+]1CCC[C@@H]1CNC(=O)N(C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000246384247 442777141 /nfs/dbraw/zinc/77/71/41/442777141.db2.gz RVSAMIBAQGLSKS-ARFHVFGLSA-N 2 0 326.485 1.079 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)NCCCC[NH+]2CCOCC2)[C@@H](C)C1 ZINC000246382833 442777900 /nfs/dbraw/zinc/77/79/00/442777900.db2.gz IKQDYXWZQLEZJP-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)N(CC[NH+](C)C)C[C@H]2CCCO2)C1 ZINC000246433176 442780632 /nfs/dbraw/zinc/78/06/32/442780632.db2.gz TVLGQQAEKFTYDF-DLBZAZTESA-N 2 0 340.512 1.471 20 0 EDADRP CC[NH+](CC)CCCC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000182795504 442827021 /nfs/dbraw/zinc/82/70/21/442827021.db2.gz PPQYUTLSAJWHIG-UHFFFAOYSA-N 2 0 325.497 1.679 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)[C@@H](C(C)C)N1C[C@@H](C)O[C@@H](C)C1 ZINC000247104103 442836247 /nfs/dbraw/zinc/83/62/47/442836247.db2.gz XZVLPDNFAAJVJY-IXDOHACOSA-N 2 0 343.512 1.205 20 0 EDADRP CC(C)Cn1cc(C[NH+]2CCC(C(=O)NCC[NH+](C)C)CC2)cn1 ZINC000183209699 442904365 /nfs/dbraw/zinc/90/43/65/442904365.db2.gz WUNIVGHIQVFIQF-UHFFFAOYSA-N 2 0 335.496 1.429 20 0 EDADRP C[C@H]1CN(C(=O)NCC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1[NH+](C)C ZINC000268220850 442905690 /nfs/dbraw/zinc/90/56/90/442905690.db2.gz OPCMLOQAGVWUAB-YOEHRIQHSA-N 2 0 336.455 1.849 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)NC[C@@H]2CCC[N@@H+]2C)c1 ZINC000195126515 442986101 /nfs/dbraw/zinc/98/61/01/442986101.db2.gz HHRMPDSWEIJEKP-INIZCTEOSA-N 2 0 334.464 1.520 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000249731326 443002041 /nfs/dbraw/zinc/00/20/41/443002041.db2.gz AHMPRSBBNLGPOR-JKSUJKDBSA-N 2 0 340.512 1.517 20 0 EDADRP CC1CC[NH+](CC(=O)NCc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000268613353 443051974 /nfs/dbraw/zinc/05/19/74/443051974.db2.gz HYUMWCLAIZSQPC-UHFFFAOYSA-N 2 0 333.476 1.975 20 0 EDADRP CN(CCC[NH2+]C1CCN(C(=O)c2ccoc2)CC1)CC[NH+](C)C ZINC000623088021 450398717 /nfs/dbraw/zinc/39/87/17/450398717.db2.gz SPDHRMSSSAKKBH-UHFFFAOYSA-N 2 0 336.480 1.357 20 0 EDADRP C[C@@H](NC[C@H](O)C[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000268878623 443135145 /nfs/dbraw/zinc/13/51/45/443135145.db2.gz XCVFFGVLKNYUOZ-AEFFLSMTSA-N 2 0 335.492 1.734 20 0 EDADRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](O)C[NH+]1CCc2ccccc2C1 ZINC000268770342 443103716 /nfs/dbraw/zinc/10/37/16/443103716.db2.gz POCICCOLOSWJTP-SMOSDQRPSA-N 2 0 331.504 1.724 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC2CC[NH+](C)CC2)c1 ZINC000190447186 443110794 /nfs/dbraw/zinc/11/07/94/443110794.db2.gz XNHLADFCMILWCK-UHFFFAOYSA-N 2 0 348.491 1.863 20 0 EDADRP Cn1cc(-c2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)on2)cn1 ZINC000184983392 443111127 /nfs/dbraw/zinc/11/11/27/443111127.db2.gz NJRRWZUFVUEATE-UHFFFAOYSA-N 2 0 345.447 1.619 20 0 EDADRP C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000268810000 443115986 /nfs/dbraw/zinc/11/59/86/443115986.db2.gz DNAVHZCCVMIKFD-SJLPKXTDSA-N 2 0 335.492 1.734 20 0 EDADRP O=C1c2ccccc2C(=O)N1CC[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000268848672 443126476 /nfs/dbraw/zinc/12/64/76/443126476.db2.gz SBJSHOSHMJPJKG-UHFFFAOYSA-N 2 0 327.428 1.747 20 0 EDADRP O=C(CC[C@@H]1CC[NH2+]C1)N[C@@H](CN1CCOCC1)c1ccccc1 ZINC000261920190 443174930 /nfs/dbraw/zinc/17/49/30/443174930.db2.gz XNUHLZBYOAMVLT-AEFFLSMTSA-N 2 0 331.460 1.566 20 0 EDADRP C[C@@H]1C[NH+](CC2CCN(C(=O)[C@H]3CC[NH2+][C@@H](C)C3)CC2)C[C@@H](C)O1 ZINC000262344016 443191183 /nfs/dbraw/zinc/19/11/83/443191183.db2.gz HKNRRKWGIUSNKO-LHHMISFZSA-N 2 0 337.508 1.722 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2)CC1 ZINC000236992208 443154981 /nfs/dbraw/zinc/15/49/81/443154981.db2.gz PKRJKAWOSSCRRU-UHFFFAOYSA-N 2 0 330.476 1.653 20 0 EDADRP C[C@@H](NC(=O)CC[NH+]1CCN(c2ccccn2)CC1)[C@H]1CCC[NH2+]C1 ZINC000269194883 443228647 /nfs/dbraw/zinc/22/86/47/443228647.db2.gz LDJKBZWTPMOEKU-SJORKVTESA-N 2 0 345.491 1.098 20 0 EDADRP C[NH+]1CCC(O)(C[NH2+][C@H]2CCN(C(=O)OCc3ccccc3)C2)CC1 ZINC000401978919 319138432 /nfs/dbraw/zinc/13/84/32/319138432.db2.gz YXPJRGQBFRECRG-KRWDZBQOSA-N 2 0 347.459 1.444 20 0 EDADRP COCCN(CC[NH+](C)C)C(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264155160 443253713 /nfs/dbraw/zinc/25/37/13/443253713.db2.gz HVKUZXWFIHHIPC-UHFFFAOYSA-N 2 0 347.503 1.935 20 0 EDADRP CC(C)n1cc([C@@H](C)[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)cn1 ZINC000414192669 319319025 /nfs/dbraw/zinc/31/90/25/319319025.db2.gz MDHNPMJVDSPYFF-QGZVFWFLSA-N 2 0 349.523 1.911 20 0 EDADRP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1(N2CCOCC2)CC[NH+](C)CC1 ZINC000414206217 319320017 /nfs/dbraw/zinc/32/00/17/319320017.db2.gz YABXYWYVJSAADJ-KRWDZBQOSA-N 2 0 347.507 1.184 20 0 EDADRP CC1CC[NH+](CCCNC(=O)C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000414668486 319338990 /nfs/dbraw/zinc/33/89/90/319338990.db2.gz IYVICSVJZNQUKP-UHFFFAOYSA-N 2 0 332.448 1.322 20 0 EDADRP CN1CC[N@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)[C@H](c2ccccc2)C1 ZINC000414672026 319339334 /nfs/dbraw/zinc/33/93/34/319339334.db2.gz OSNNGRXOXJAUSI-WMZOPIPTSA-N 2 0 330.476 1.172 20 0 EDADRP C[C@H]1C[C@H](C[NH+]2CCN(CC(=O)NCc3ccccc3)CC2)CC[NH2+]1 ZINC000414680405 319341387 /nfs/dbraw/zinc/34/13/87/319341387.db2.gz NDGVIYMORBDDOI-PKOBYXMFSA-N 2 0 344.503 1.309 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)C(=O)Nc2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000414684789 319342247 /nfs/dbraw/zinc/34/22/47/319342247.db2.gz WTCBXDMHWOYJPD-AWEZNQCLSA-N 2 0 346.475 1.881 20 0 EDADRP CC(=O)N1CCN(c2ccccc2C[NH2+]C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000415083679 319345798 /nfs/dbraw/zinc/34/57/98/319345798.db2.gz QITFUTKWAXRTPO-AEFFLSMTSA-N 2 0 344.503 1.833 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)N2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000415178162 319347516 /nfs/dbraw/zinc/34/75/16/319347516.db2.gz JBQLYCPXHALWKD-INIZCTEOSA-N 2 0 332.448 1.287 20 0 EDADRP [NH3+][C@@H]1CC[C@H](C(=O)NC2CC[NH+](CCOc3ccc(F)cc3)CC2)C1 ZINC000269267172 443258784 /nfs/dbraw/zinc/25/87/84/443258784.db2.gz PUQLJYWYMIEDGM-GOEBONIOSA-N 2 0 349.450 1.913 20 0 EDADRP C[N@H+](CCn1cncn1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264305999 443259119 /nfs/dbraw/zinc/25/91/19/443259119.db2.gz XQFUMPJOVMFUEF-IBGZPJMESA-N 2 0 343.475 1.656 20 0 EDADRP C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000415236414 319355166 /nfs/dbraw/zinc/35/51/66/319355166.db2.gz FSSZSPPXOGKSKC-DZGCQCFKSA-N 2 0 347.463 1.486 20 0 EDADRP CN(C(=O)C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)C1C[NH2+]C1 ZINC000415728635 319367210 /nfs/dbraw/zinc/36/72/10/319367210.db2.gz AKLSKTWGEWWOKL-UHFFFAOYSA-N 2 0 330.432 1.041 20 0 EDADRP C[C@H]1[C@@H]([NH3+])CCN1C(=O)C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000415741433 319369126 /nfs/dbraw/zinc/36/91/26/319369126.db2.gz JZIJQJABGDNCKS-YOEHRIQHSA-N 2 0 344.459 1.212 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)C[N@H+](C)[C@H]2CCSC2)C[C@@H](C)O1 ZINC000245994655 443261186 /nfs/dbraw/zinc/26/11/86/443261186.db2.gz XLVXKIPSXUPCLB-KFWWJZLASA-N 2 0 329.510 1.039 20 0 EDADRP COc1ccc([C@H](CNC(=O)NCC2C[NH2+]C2)[NH+]2CCCCC2)cc1 ZINC000416814916 319463210 /nfs/dbraw/zinc/46/32/10/319463210.db2.gz NVDRAVXHGOQPPS-SFHVURJKSA-N 2 0 346.475 1.741 20 0 EDADRP C[NH+](C)CCOc1ccccc1CNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000417371125 319495054 /nfs/dbraw/zinc/49/50/54/319495054.db2.gz VBJCJTBYWKJTHY-DOTOQJQBSA-N 2 0 348.491 1.944 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)C(=O)N(C)CC(C)(C)C[NH3+])[NH+](C)C)cc1 ZINC000418824498 319519044 /nfs/dbraw/zinc/51/90/44/319519044.db2.gz SPVAYHZDUPQAJH-MRXNPFEDSA-N 2 0 348.491 1.157 20 0 EDADRP CCCC[NH+]1CCC(NC(=O)C(=O)N2CCCC[C@@H]2[C@H](C)[NH3+])CC1 ZINC000419237868 319574630 /nfs/dbraw/zinc/57/46/30/319574630.db2.gz PCTPDWDNNMDHEE-GOEBONIOSA-N 2 0 338.496 1.095 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)CC(C)(C)O ZINC000267174550 443368252 /nfs/dbraw/zinc/36/82/52/443368252.db2.gz VXEYUQHKMJXIPV-NVXWUHKLSA-N 2 0 333.476 1.468 20 0 EDADRP CN1CC[N@H+](C)C[C@@H]1CNC(=O)[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000264764207 443413328 /nfs/dbraw/zinc/41/33/28/443413328.db2.gz ONFNIIIKDSFOCD-OALUTQOASA-N 2 0 344.503 1.261 20 0 EDADRP C[C@H](CC(N)=O)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000267254059 443395058 /nfs/dbraw/zinc/39/50/58/443395058.db2.gz OSOZTNYRLWKATO-MRXNPFEDSA-N 2 0 333.476 1.911 20 0 EDADRP Cc1ccc([C@@H](CNC(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)[NH+](C)C)cc1 ZINC000279021574 443493412 /nfs/dbraw/zinc/49/34/12/443493412.db2.gz ORBMBARAWZLBRE-CRAIPNDOSA-N 2 0 341.459 1.828 20 0 EDADRP C[N@H+](C[C@@H]1CNC(=O)O1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000269951598 443456394 /nfs/dbraw/zinc/45/63/94/443456394.db2.gz GOQMFQVNZPDMEW-ZWKOTPCHSA-N 2 0 347.459 1.472 20 0 EDADRP C[C@@H](C[C@H]1COCCN1)[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000422735891 319735413 /nfs/dbraw/zinc/73/54/13/319735413.db2.gz FMTTYTOQMUAGBS-WMZOPIPTSA-N 2 0 335.492 1.526 20 0 EDADRP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Cn2ccccc2=O)cc1 ZINC000422950911 319740810 /nfs/dbraw/zinc/74/08/10/319740810.db2.gz XAQFKDGZDAYGMC-SFHVURJKSA-N 2 0 329.444 1.740 20 0 EDADRP O=CN1CCC([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000278881906 443471985 /nfs/dbraw/zinc/47/19/85/443471985.db2.gz XYTJKJIOVUOYPI-UHFFFAOYSA-N 2 0 345.487 1.914 20 0 EDADRP C[C@H](CC(=O)Nc1ccc(Br)cc1)[NH2+]CC1C[NH2+]C1 ZINC000423306416 319763045 /nfs/dbraw/zinc/76/30/45/319763045.db2.gz SXHLIAXHHYVFNN-SNVBAGLBSA-N 2 0 326.238 1.975 20 0 EDADRP C[C@H]([NH2+]C[C@H](N1CC[NH2+]CC1)C(F)(F)F)c1ccc2c(c1)OCO2 ZINC000423396672 319771204 /nfs/dbraw/zinc/77/12/04/319771204.db2.gz UCVBOTXXRQDYNH-NHYWBVRUSA-N 2 0 345.365 1.902 20 0 EDADRP CCCOc1ccc2c(c1)CC[N@@H+](CCC(=O)N1CCN(C)CC1)C2 ZINC000283096851 443521877 /nfs/dbraw/zinc/52/18/77/443521877.db2.gz LMWQFLXYBDHVDU-UHFFFAOYSA-N 2 0 345.487 1.998 20 0 EDADRP C[C@@]1(CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)CCC[NH2+]C1 ZINC000273031774 443523851 /nfs/dbraw/zinc/52/38/51/443523851.db2.gz SERUCIHQZYUQAX-HXUWFJFHSA-N 2 0 344.503 1.705 20 0 EDADRP C[C@H](NC(=O)CCC[NH+]1CCC([NH3+])CC1)[C@@H](O)Cc1ccccc1 ZINC000423891281 319824771 /nfs/dbraw/zinc/82/47/71/319824771.db2.gz BMKGTDDIOHRFTI-YJBOKZPZSA-N 2 0 333.476 1.298 20 0 EDADRP CC[NH+](C)CCNC(=O)c1ccc(C(=O)NCC[N@@H+](C)CC)cc1 ZINC000265190148 443564088 /nfs/dbraw/zinc/56/40/88/443564088.db2.gz URZGZTHVGWUNNH-UHFFFAOYSA-N 2 0 334.464 1.050 20 0 EDADRP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000425350397 319833299 /nfs/dbraw/zinc/83/32/99/319833299.db2.gz LMXNUNSRRGSHSG-HOTGVXAUSA-N 2 0 335.521 1.862 20 0 EDADRP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000265140267 443547187 /nfs/dbraw/zinc/54/71/87/443547187.db2.gz VKPWNIHFZKFLSB-FUHWJXTLSA-N 2 0 332.492 1.432 20 0 EDADRP CN1CC[NH+](CC2CC[NH+](Cc3cccc(C(N)=O)c3)CC2)CC1 ZINC000265421375 443636677 /nfs/dbraw/zinc/63/66/77/443636677.db2.gz JEMAOWNDSKGXGE-UHFFFAOYSA-N 2 0 330.476 1.245 20 0 EDADRP [NH3+]C1CC[NH+](CCCC(=O)N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC000433134659 319970959 /nfs/dbraw/zinc/97/09/59/319970959.db2.gz HCODNZSZSKPJNP-GOSISDBHSA-N 2 0 349.450 1.929 20 0 EDADRP COC(=O)c1cc(CNC(=O)CCC[NH+]2CCC([NH3+])CC2)oc1C ZINC000433139293 319971393 /nfs/dbraw/zinc/97/13/93/319971393.db2.gz AORKBKDUHWVHAY-UHFFFAOYSA-N 2 0 337.420 1.194 20 0 EDADRP [NH3+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000286185434 443664006 /nfs/dbraw/zinc/66/40/06/443664006.db2.gz RMZCTBVINXGWPN-KRWDZBQOSA-N 2 0 345.491 1.324 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449749194 320204454 /nfs/dbraw/zinc/20/44/54/320204454.db2.gz OPTHWVYVSLWTME-MJGOQNOKSA-N 2 0 342.487 1.409 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC[C@@H]2OC)[C@@H](C)C1 ZINC000453299178 320262851 /nfs/dbraw/zinc/26/28/51/320262851.db2.gz UEUSLPSNEGFQSR-XSLAGTTESA-N 2 0 328.497 1.765 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)[C@H](C)C1 ZINC000479373014 320355426 /nfs/dbraw/zinc/35/54/26/320355426.db2.gz AQUCMZJMZYKPEH-NXOAAHMSSA-N 2 0 340.512 1.203 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)N1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000488375895 320358063 /nfs/dbraw/zinc/35/80/63/320358063.db2.gz RPEWKQVLBDWBTD-GVDBMIGSSA-N 2 0 340.512 1.326 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000492814324 320387122 /nfs/dbraw/zinc/38/71/22/320387122.db2.gz AGZYNNNJLFIRLL-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)N1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000276424537 443702483 /nfs/dbraw/zinc/70/24/83/443702483.db2.gz LMROFNYUPKKRCQ-SJLPKXTDSA-N 2 0 347.507 1.885 20 0 EDADRP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)cn1 ZINC000518724361 320459428 /nfs/dbraw/zinc/45/94/28/320459428.db2.gz VUADNAYQZZESDS-QGTPRVQTSA-N 2 0 333.476 1.989 20 0 EDADRP [NH3+][C@@H]1CCCC[C@H]1NC(=O)NCC1([NH+]2CCSCC2)CCCC1 ZINC000520796523 320480108 /nfs/dbraw/zinc/48/01/08/320480108.db2.gz RIIWZQAFYJWVOP-HUUCEWRRSA-N 2 0 340.537 1.917 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C23CCC3)C1 ZINC000529357950 320577028 /nfs/dbraw/zinc/57/70/28/320577028.db2.gz NZBNNLJRHPVEGG-CVEARBPZSA-N 2 0 338.496 1.413 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)CC[N@@H+]1Cc1ccccc1 ZINC000285703002 444078435 /nfs/dbraw/zinc/07/84/35/444078435.db2.gz CEWYFUUIPFCKHI-BPQIPLTHSA-N 2 0 331.460 1.534 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCN(C(=O)NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000557241644 321000848 /nfs/dbraw/zinc/00/08/48/321000848.db2.gz SQFQABXZDATYNE-OWIUFQIYSA-N 2 0 348.466 1.898 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCOc2ccccc2C(C)(C)C)CC1 ZINC000562993947 321086593 /nfs/dbraw/zinc/08/65/93/321086593.db2.gz SCLMBWRKDPDZQT-KRWDZBQOSA-N 2 0 349.519 1.561 20 0 EDADRP CC(C)C[C@H](CNC(=O)COC1C[NH2+]C1)[NH2+][C@@H](C)c1ccccc1 ZINC000563074552 321093596 /nfs/dbraw/zinc/09/35/96/321093596.db2.gz GHVQVWNMHAAAEM-DOTOQJQBSA-N 2 0 333.476 1.857 20 0 EDADRP C[NH+](C)CCn1ccc(C(=O)N2CC[N@H+](C)CC23CCCCC3)n1 ZINC000563970239 321118240 /nfs/dbraw/zinc/11/82/40/321118240.db2.gz JKIANUQLNABNDB-UHFFFAOYSA-N 2 0 333.480 1.535 20 0 EDADRP C[N@H+](C[C@H](O)CNCc1cccc(NC(=O)[C@H]2CCCO2)c1)C1CC1 ZINC000564444325 321132021 /nfs/dbraw/zinc/13/20/21/321132021.db2.gz NTKIYYJCFFOLIB-QZTJIDSGSA-N 2 0 347.459 1.349 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)CN2CCc3ccccc3[C@H]2C[NH3+])CC1 ZINC000564457627 321133316 /nfs/dbraw/zinc/13/33/16/321133316.db2.gz XGINBDMQYDYYPY-LJQANCHMSA-N 2 0 344.503 1.534 20 0 EDADRP C[NH+]1CCN(C[C@@H](O)C[NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000564863358 321153038 /nfs/dbraw/zinc/15/30/38/321153038.db2.gz ZCFIFGRGTOOBMN-CGZBRXJRSA-N 2 0 327.513 1.168 20 0 EDADRP CC(C)OC[C@H](O)C[N@@H+]1CC[C@@H](Oc2cccnc2N2CCCC2)C1 ZINC000289273573 444093164 /nfs/dbraw/zinc/09/31/64/444093164.db2.gz FKGIWNCPSLMYOK-IAGOWNOFSA-N 2 0 349.475 1.921 20 0 EDADRP C[C@H]1CC[NH2+][C@H](C(=O)Nc2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000565039730 321165534 /nfs/dbraw/zinc/16/55/34/321165534.db2.gz BSGNMMWHEXOXDM-YJBOKZPZSA-N 2 0 330.476 1.761 20 0 EDADRP C[N@@H+]1CCN(CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)CC1(C)C ZINC000566126113 321218771 /nfs/dbraw/zinc/21/87/71/321218771.db2.gz ZZIRVNIWBJYODD-KRWDZBQOSA-N 2 0 339.911 1.859 20 0 EDADRP CC(C)[C@@H](C(=O)NCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H](C)[NH3+] ZINC000566165903 321220500 /nfs/dbraw/zinc/22/05/00/321220500.db2.gz NEKJRSZTMUWBIB-IEBWSBKVSA-N 2 0 346.519 1.934 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)CN1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000566302650 321225847 /nfs/dbraw/zinc/22/58/47/321225847.db2.gz BIVKLVQPKGPKJY-AABGKKOBSA-N 2 0 331.504 1.725 20 0 EDADRP C[NH+](C)CCOc1cccc(CNC(=O)N2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000567476956 321243245 /nfs/dbraw/zinc/24/32/45/321243245.db2.gz SAWVJMYOKCARJB-DLBZAZTESA-N 2 0 346.475 1.378 20 0 EDADRP O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)NC[C@H]1COc2ccccc2O1 ZINC000569087220 321317942 /nfs/dbraw/zinc/31/79/42/321317942.db2.gz GZDKMDLDOIWBLK-KXBFYZLASA-N 2 0 345.443 1.018 20 0 EDADRP C[C@@H]1CN(C(=O)N2CCN(C)[C@H](Cc3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000569087076 321318093 /nfs/dbraw/zinc/31/80/93/321318093.db2.gz HRBCHZCOOFDWAZ-YVWKXTFCSA-N 2 0 344.503 1.882 20 0 EDADRP C[C@]1(CNC(=O)N[C@@H]2CC[N@H+](Cc3ccccc3)C2)CCC[NH2+]C1 ZINC000570028717 321334615 /nfs/dbraw/zinc/33/46/15/321334615.db2.gz KSJUXYVTUWDXGV-MJGOQNOKSA-N 2 0 330.476 1.950 20 0 EDADRP CN(C[C@@H](O)C[NH2+]C[C@@H](CO)Cc1c(F)cccc1Cl)C1CC1 ZINC000570093018 321337523 /nfs/dbraw/zinc/33/75/23/321337523.db2.gz DNPVQRNJMOXWQH-JSGCOSHPSA-N 2 0 344.858 1.675 20 0 EDADRP C[NH2+]Cc1cccc(NC(=O)C(=O)N2CCC[N@@H+](C(C)(C)C)CC2)c1 ZINC000570811035 321359346 /nfs/dbraw/zinc/35/93/46/321359346.db2.gz XNGGTROYEUINFF-UHFFFAOYSA-N 2 0 346.475 1.677 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(N3CC[C@@H]([NH+](C)C)C3)cn2)C1 ZINC000570813800 321359606 /nfs/dbraw/zinc/35/96/06/321359606.db2.gz KKNZIQHLVWEAPV-GDBMZVCRSA-N 2 0 331.464 1.502 20 0 EDADRP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000571204823 321376615 /nfs/dbraw/zinc/37/66/15/321376615.db2.gz YIYNBVJJDZFQRK-SFHVURJKSA-N 2 0 331.460 1.566 20 0 EDADRP Cn1ncc(Br)c1CN(CC[NH+](C)C)CC[NH+](C)C ZINC000571208047 321376801 /nfs/dbraw/zinc/37/68/01/321376801.db2.gz NXXFDBZKFVAGGM-UHFFFAOYSA-N 2 0 332.290 1.108 20 0 EDADRP COc1cccc([C@@H](C)N2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)c1 ZINC000285854392 444130062 /nfs/dbraw/zinc/13/00/62/444130062.db2.gz XYYVIBIPNWWWPY-WBVHZDCISA-N 2 0 347.459 1.279 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H](C[NH3+])OC)c1cccc(OC)c1 ZINC000278238100 444121533 /nfs/dbraw/zinc/12/15/33/444121533.db2.gz KXAXSGFATOZLEW-IRXDYDNUSA-N 2 0 337.464 1.558 20 0 EDADRP Nc1nc(-n2cccn2)cc(N2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)[nH+]1 ZINC000301973299 444199138 /nfs/dbraw/zinc/19/91/38/444199138.db2.gz JNEUOUTYLBFIRJ-MJBXVCDLSA-N 2 0 325.420 1.165 20 0 EDADRP Cc1ccncc1CCC[NH2+]CCS(=O)(=O)N1CCSCC1 ZINC000290204835 444254400 /nfs/dbraw/zinc/25/44/00/444254400.db2.gz DHYUJDNXKBPAOE-UHFFFAOYSA-N 2 0 343.518 1.291 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NC[C@H]1CN(Cc2ccccc2)CCO1 ZINC000289994690 444228218 /nfs/dbraw/zinc/22/82/18/444228218.db2.gz OZPIJXYDLOITQP-KSZLIROESA-N 2 0 331.460 1.392 20 0 EDADRP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000303345872 444236564 /nfs/dbraw/zinc/23/65/64/444236564.db2.gz ZVEZPEFMSYXDTM-LSDHHAIUSA-N 2 0 325.497 1.458 20 0 EDADRP C[C@@H]1C[NH+](CC2CC[NH+](C[C@@H](O)COC(C)(C)C)CC2)C[C@@H](C)O1 ZINC000303379873 444236697 /nfs/dbraw/zinc/23/66/97/444236697.db2.gz QMJXOZHFFOQIRV-JFIYKMOQSA-N 2 0 342.524 1.984 20 0 EDADRP C[C@@H](CN1CCN(c2ccccc2)CC1)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000290061463 444237398 /nfs/dbraw/zinc/23/73/98/444237398.db2.gz VPMPYFSCCPRTSZ-YQVWRLOYSA-N 2 0 344.503 1.701 20 0 EDADRP CC[NH+](CC)CCOc1cc(NC(=O)[C@@H](C[NH3+])OC)ccc1OC ZINC000290100153 444242530 /nfs/dbraw/zinc/24/25/30/444242530.db2.gz XNVYWFPNMBROQT-MRXNPFEDSA-N 2 0 339.436 1.328 20 0 EDADRP C[C@H](C(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000304226499 444243298 /nfs/dbraw/zinc/24/32/98/444243298.db2.gz LGFZXMNOUIGGOF-YYIAUSFCSA-N 2 0 325.497 1.457 20 0 EDADRP CN1CCN(C)[C@@H](C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000309947683 444290266 /nfs/dbraw/zinc/29/02/66/444290266.db2.gz PHSCWNAWDDDZOJ-GPANFISMSA-N 2 0 340.512 1.658 20 0 EDADRP C[C@@H]([NH3+])C[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000578010844 321707288 /nfs/dbraw/zinc/70/72/88/321707288.db2.gz ADAAFUNHNIDJHZ-RPCCPQHDSA-N 2 0 336.455 1.944 20 0 EDADRP C[C@H](C[C@H](C)[NH3+])NC(=O)NCc1ccccc1C[NH+]1CCC(O)CC1 ZINC000578011136 321708030 /nfs/dbraw/zinc/70/80/30/321708030.db2.gz SXLRTQYPEGYOSM-LSDHHAIUSA-N 2 0 348.491 1.568 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCNC(=O)C(=O)Nc1ccn2ccnc2c1 ZINC000297864880 444343355 /nfs/dbraw/zinc/34/33/55/444343355.db2.gz MEXLLQYZIJBEMS-ZDUSSCGKSA-N 2 0 329.404 1.263 20 0 EDADRP CCC1(C)CC[NH+](CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)CC1 ZINC000337699533 444360791 /nfs/dbraw/zinc/36/07/91/444360791.db2.gz VNGZESWAGYIQCO-KRWDZBQOSA-N 2 0 339.524 1.972 20 0 EDADRP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1)[C@]1(C)CCCO1 ZINC000340233680 444371861 /nfs/dbraw/zinc/37/18/61/444371861.db2.gz FBPAKAGNVIOYDP-HKUYNNGSSA-N 2 0 347.507 1.926 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)[C@H](C)C1 ZINC000337734124 444379994 /nfs/dbraw/zinc/37/99/94/444379994.db2.gz PRZFCPFGCYHVST-HZPDHXFCSA-N 2 0 326.485 1.128 20 0 EDADRP CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)CC1 ZINC000580444031 322052386 /nfs/dbraw/zinc/05/23/86/322052386.db2.gz MFCNGOMSSYSDJH-ROUUACIJSA-N 2 0 337.508 1.852 20 0 EDADRP O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)NC[C@@H]1C[NH2+]CCO1 ZINC000580882699 322107532 /nfs/dbraw/zinc/10/75/32/322107532.db2.gz UEBTYYUDYOGLJI-SFHVURJKSA-N 2 0 346.475 1.460 20 0 EDADRP O=C1NC2(CCCC2)C(=O)N1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000580887293 322108040 /nfs/dbraw/zinc/10/80/40/322108040.db2.gz LNSPZFFAQOIJTN-HRCADAONSA-N 2 0 348.491 1.751 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)CN1CC[C@]2(C1)CCC[NH2+]C2)c1ccccc1 ZINC000581132434 322140181 /nfs/dbraw/zinc/14/01/81/322140181.db2.gz IOFWCICKXQTDCQ-UYAOXDASSA-N 2 0 344.503 1.481 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)N[C@H]2CC[N@H+](Cc3ccccc3)C2)CCCO1 ZINC000581597163 322196703 /nfs/dbraw/zinc/19/67/03/322196703.db2.gz KPSQMZRPCOHEGD-IRXDYDNUSA-N 2 0 332.448 1.020 20 0 EDADRP C[C@@H]1CCC[C@@](CNC(=O)N2CCCO[C@H](C[NH3+])C2)([NH+](C)C)C1 ZINC000332372917 444512047 /nfs/dbraw/zinc/51/20/47/444512047.db2.gz SRCTYHIIVBUCGK-BFYDXBDKSA-N 2 0 326.485 1.256 20 0 EDADRP C[C@@H]1CN(C(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1[NH+](C)C ZINC000340799996 444515447 /nfs/dbraw/zinc/51/54/47/444515447.db2.gz LVKOAGQVWRKHMJ-CZUORRHYSA-N 2 0 332.448 1.095 20 0 EDADRP Cc1cccc(OCCNC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342131468 444525199 /nfs/dbraw/zinc/52/51/99/444525199.db2.gz HXNVGYTZCDGGEG-DKKFBQAASA-N 2 0 345.487 1.938 20 0 EDADRP C[C@@H]1CN(c2ccccn2)C[C@H]1C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000343851199 444627949 /nfs/dbraw/zinc/62/79/49/444627949.db2.gz MNRGXEPJOBISPA-BFYDXBDKSA-N 2 0 328.460 1.754 20 0 EDADRP C[NH+](C)Cc1cccc(NC(=O)C(=O)NCC2=CC[N@H+](C)CC2)c1 ZINC000343780631 444586567 /nfs/dbraw/zinc/58/65/67/444586567.db2.gz AGDXGAIUOZGTJW-UHFFFAOYSA-N 2 0 330.432 1.065 20 0 EDADRP C[C@H]1C[C@H](NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)CC[N@@H+]1C ZINC000332921149 444597613 /nfs/dbraw/zinc/59/76/13/444597613.db2.gz HEFHEYVEJBMRCE-MAUKXSAKSA-N 2 0 345.491 1.828 20 0 EDADRP Cc1ccc(S(=O)(=O)N2CCC([NH2+][C@@H]3CCC[C@@H]3[NH3+])CC2)cc1 ZINC000333229453 444648965 /nfs/dbraw/zinc/64/89/65/444648965.db2.gz BPJPFXAQBKMJLH-DLBZAZTESA-N 2 0 337.489 1.618 20 0 EDADRP O=C(C[NH+]1CCC(n2ncc3c2C[NH2+]C3)CC1)N1CCCCCC1 ZINC000333236377 444648995 /nfs/dbraw/zinc/64/89/95/444648995.db2.gz AFGIXENWERSBSH-UHFFFAOYSA-N 2 0 331.464 1.526 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CCC[NH2+]C1 ZINC000343894619 444651625 /nfs/dbraw/zinc/65/16/25/444651625.db2.gz VEGKGVVATJPCFD-HOTGVXAUSA-N 2 0 339.480 1.252 20 0 EDADRP C[NH+](C)C1(CNC(=O)N2CCCO[C@@H](C[NH3+])C2)CCCCCC1 ZINC000333929526 444721753 /nfs/dbraw/zinc/72/17/53/444721753.db2.gz YKOKVSPWVPEMIH-HNNXBMFYSA-N 2 0 326.485 1.400 20 0 EDADRP COCCC[N@H+](C)CCNC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000341196265 444722825 /nfs/dbraw/zinc/72/28/25/444722825.db2.gz GNFXRUCNHKQZRG-UHFFFAOYSA-N 2 0 328.501 1.328 20 0 EDADRP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)N2CCOC3(C[NH2+]C3)C2)C1 ZINC000333945123 444724883 /nfs/dbraw/zinc/72/48/83/444724883.db2.gz SMYCPYDUWREKCU-DOTOQJQBSA-N 2 0 344.459 1.206 20 0 EDADRP C[C@H](C(=O)N1CCCCCC1)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344026447 444737311 /nfs/dbraw/zinc/73/73/11/444737311.db2.gz JVKDFKSOEMVUDT-QGZVFWFLSA-N 2 0 326.529 1.593 20 0 EDADRP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000341238802 444744155 /nfs/dbraw/zinc/74/41/55/444744155.db2.gz JOVODUCOXCWTIP-ATZDWAIDSA-N 2 0 344.503 1.941 20 0 EDADRP C[C@H](O)[C@@H]1CCN(c2cc(N(C)CC[C@H]3CCCC[N@@H+]3C)ncn2)C1 ZINC000334027696 444751527 /nfs/dbraw/zinc/75/15/27/444751527.db2.gz IMBWBFYMNLEQQR-GVDBMIGSSA-N 2 0 347.507 1.994 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)C1 ZINC000334043635 444758387 /nfs/dbraw/zinc/75/83/87/444758387.db2.gz PGTWTVUUAXMLCJ-GVDBMIGSSA-N 2 0 338.496 1.148 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@H](C)CC[NH+](C)C)C[C@@H]1CC ZINC000342648653 444795562 /nfs/dbraw/zinc/79/55/62/444795562.db2.gz KVZUBLSVLVKCKB-CVEARBPZSA-N 2 0 328.501 1.469 20 0 EDADRP C[N@H+](C[C@H](O)CN1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000336793783 444796909 /nfs/dbraw/zinc/79/69/09/444796909.db2.gz YIMXZNZKLJHVOS-ZVDOUQERSA-N 2 0 343.515 1.895 20 0 EDADRP C[C@@H]1CN(c2cncc(N3C[C@H](C)[NH+](C)[C@@H](C)C3)n2)C[C@@H](C)[NH+]1C ZINC000338787517 444852260 /nfs/dbraw/zinc/85/22/60/444852260.db2.gz SMLCLEXACMLATD-RUPPMWDTSA-N 2 0 332.496 1.534 20 0 EDADRP COc1ccncc1NC(=O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000341550385 444889040 /nfs/dbraw/zinc/88/90/40/444889040.db2.gz SIDFBBUHBHLTJL-BETUJISGSA-N 2 0 334.420 1.408 20 0 EDADRP CC(C)[N@@H+]1CCO[C@H](CN2CC[NH+](C[C@@H]3CCCOC3)CC2)C1 ZINC000342915717 444939816 /nfs/dbraw/zinc/93/98/16/444939816.db2.gz GGLFEDYWWBXYAI-ZWKOTPCHSA-N 2 0 325.497 1.140 20 0 EDADRP COCC[N@H+](C)CCCNC(=O)C1CC[NH+]([C@H]2CCSC2)CC1 ZINC000341778180 444997308 /nfs/dbraw/zinc/99/73/08/444997308.db2.gz ZRNBVLLEYVZZRV-INIZCTEOSA-N 2 0 343.537 1.288 20 0 EDADRP CC1CC[NH+](C[C@@H](O)CNC(=O)NCC2([NH+](C)C)CCCC2)CC1 ZINC000344481837 445001415 /nfs/dbraw/zinc/00/14/15/445001415.db2.gz JEGWVHKKMUNVHP-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000344485995 445004269 /nfs/dbraw/zinc/00/42/69/445004269.db2.gz CTRSTLGRKBZANJ-KRWDZBQOSA-N 2 0 347.507 1.733 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC[C@@H]1C[NH+](Cc2ccccc2)CCCO1 ZINC000343105672 445069688 /nfs/dbraw/zinc/06/96/88/445069688.db2.gz HWFNWUPKQSIMJR-QRQLOZEOSA-N 2 0 345.487 1.591 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000337568053 445141781 /nfs/dbraw/zinc/14/17/81/445141781.db2.gz XMYIRJUHDDCEHD-GVDBMIGSSA-N 2 0 338.496 1.269 20 0 EDADRP CCN(CCC[NH+](C)C)C(=O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000343176315 445116620 /nfs/dbraw/zinc/11/66/20/445116620.db2.gz ZXDVNLROUKYPBH-JKSUJKDBSA-N 2 0 340.512 1.023 20 0 EDADRP C[C@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342115390 445179640 /nfs/dbraw/zinc/17/96/40/445179640.db2.gz XPGJVJRFPBNDOW-KCMWZYNZSA-N 2 0 333.451 1.932 20 0 EDADRP CO[C@@H]1C[C@H](CN(C)C(=O)NCC[NH+]2CCC(C)CC2)[N@H+](C)C1 ZINC000346236811 445209125 /nfs/dbraw/zinc/20/91/25/445209125.db2.gz MHMGKINWPVQHGQ-HZPDHXFCSA-N 2 0 326.485 1.079 20 0 EDADRP Cn1nccc1[C@@H]1[C@H](C[N@H+](C)[C@H]2CCCCNC2=O)CCCN1C ZINC000346912524 445227860 /nfs/dbraw/zinc/22/78/60/445227860.db2.gz FEJWIUUEUWJBAN-XIRDDKMYSA-N 2 0 333.480 1.404 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@@H](C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000343496430 445233933 /nfs/dbraw/zinc/23/39/33/445233933.db2.gz VPJBBNZXBSAUEV-KRWDZBQOSA-N 2 0 332.492 1.261 20 0 EDADRP C[C@@H]1[C@@H](NC(=O)NCc2ccc(OCC[NH+](C)C)cc2)CCC[N@@H+]1C ZINC000343655305 445285382 /nfs/dbraw/zinc/28/53/82/445285382.db2.gz OXNJLXVLGJKKEQ-QAPCUYQASA-N 2 0 348.491 1.909 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000351719709 445290660 /nfs/dbraw/zinc/29/06/60/445290660.db2.gz SEKMWGYZDGMGAR-HZPDHXFCSA-N 2 0 326.485 1.271 20 0 EDADRP CC(C)C[C@@H]1CCC[N@@H+]1CC(=O)NC[C@H]1C[NH+](CC(C)C)CCO1 ZINC000354671593 445334521 /nfs/dbraw/zinc/33/45/21/445334521.db2.gz CVGCSVHZJXPLTR-ROUUACIJSA-N 2 0 339.524 1.970 20 0 EDADRP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000351837838 445338725 /nfs/dbraw/zinc/33/87/25/445338725.db2.gz IYJZVCAEEHQTDZ-NCOADZHNSA-N 2 0 340.512 1.203 20 0 EDADRP C[C@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351850580 445342814 /nfs/dbraw/zinc/34/28/14/445342814.db2.gz JDLKFIBDTRVQIU-ARFHVFGLSA-N 2 0 348.466 1.532 20 0 EDADRP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)C1 ZINC000351852352 445343548 /nfs/dbraw/zinc/34/35/48/445343548.db2.gz NDXXWCOOPZBVCE-HRCADAONSA-N 2 0 346.475 1.098 20 0 EDADRP CC(C)[NH+]1CCN(C(=O)NCc2ccncc2OCC[NH+](C)C)CC1 ZINC000359740370 445402010 /nfs/dbraw/zinc/40/20/10/445402010.db2.gz QXHLRVOPCLGXDQ-UHFFFAOYSA-N 2 0 349.479 1.258 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H]2C[C@](C)(OC)C2(C)C)CC1 ZINC000362479758 445404707 /nfs/dbraw/zinc/40/47/07/445404707.db2.gz OPMBDCNAKYKQMI-QAPCUYQASA-N 2 0 325.497 1.722 20 0 EDADRP C[N@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(CC(=O)N2CCCC2)CC1 ZINC000362483900 445406436 /nfs/dbraw/zinc/40/64/36/445406436.db2.gz FHHYWBOODCKTQZ-KRWDZBQOSA-N 2 0 336.524 1.489 20 0 EDADRP COc1ccc(CN(C)C(=O)C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000357081566 445414347 /nfs/dbraw/zinc/41/43/47/445414347.db2.gz NNESZGJKWBASHK-GOSISDBHSA-N 2 0 345.487 1.975 20 0 EDADRP CO[C@@H](C)c1nc(CN2CCC[N@H+](CCOCC[NH3+])CC2)cs1 ZINC000357087321 445419166 /nfs/dbraw/zinc/41/91/66/445419166.db2.gz MVTZIGCAQYTEFU-AWEZNQCLSA-N 2 0 342.509 1.334 20 0 EDADRP [NH3+]CCOCC[N@@H+]1CCC[C@@H](NC(=O)c2cc3ccccc3o2)C1 ZINC000357088021 445419562 /nfs/dbraw/zinc/41/95/62/445419562.db2.gz NULJEZZRPJMCLM-OAHLLOKOSA-N 2 0 331.416 1.602 20 0 EDADRP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCc1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000362523479 445423764 /nfs/dbraw/zinc/42/37/64/445423764.db2.gz FCHRIAOUWHACAN-VQIMIIECSA-N 2 0 344.503 1.248 20 0 EDADRP Cn1nccc1[C@H]1[C@@H](CNC(=O)C2CC[NH+](C)CC2)CCC[N@@H+]1C ZINC000348951339 445451908 /nfs/dbraw/zinc/45/19/08/445451908.db2.gz VHZSIGSRFXPMBG-NVXWUHKLSA-N 2 0 333.480 1.261 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2CC[NH+](C)CC[C@H]2C)C1 ZINC000355514315 445465804 /nfs/dbraw/zinc/46/58/04/445465804.db2.gz CPDDDSYVYIIAQR-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP CC(C)(CNC(=O)CCOC1C[NH2+]C1)[N@@H+]1CCc2ccccc2C1 ZINC000348989115 445466735 /nfs/dbraw/zinc/46/67/35/445466735.db2.gz BXEGZMXKWQODFS-UHFFFAOYSA-N 2 0 331.460 1.318 20 0 EDADRP C[C@H](NC(=O)NC[C@](C)(O)C[NH+](C)C)[C@H](c1ccccc1)[NH+](C)C ZINC000357278389 445521549 /nfs/dbraw/zinc/52/15/49/445521549.db2.gz CSXJUBRUMMCVNE-LESCRADOSA-N 2 0 336.480 1.290 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)N1CC[NH+](CC(C)(C)O)[C@H](C)C1 ZINC000359924249 445490878 /nfs/dbraw/zinc/49/08/78/445490878.db2.gz NBGFXBQLBSVPRH-JKSUJKDBSA-N 2 0 342.528 1.593 20 0 EDADRP C[C@@H](CNC(=O)N1CC[C@H](N2CCOCC2)C1)[N@@H+]1CCCC[C@H]1C ZINC000359939834 445497408 /nfs/dbraw/zinc/49/74/08/445497408.db2.gz OMEZBZPXAFQKLB-IKGGRYGDSA-N 2 0 338.496 1.365 20 0 EDADRP COc1cccc(N2CCC([NH2+][C@@H](C)CN3CC[NH+](C)CC3)CC2)c1 ZINC000362796827 445553473 /nfs/dbraw/zinc/55/34/73/445553473.db2.gz KPZLELQPMZHWDN-KRWDZBQOSA-N 2 0 346.519 1.890 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH+]2CCC(CCCO)CC2)CC1 ZINC000360082868 445557750 /nfs/dbraw/zinc/55/77/50/445557750.db2.gz AZMKDTSAGPCGMN-UHFFFAOYSA-N 2 0 325.497 1.460 20 0 EDADRP CSC1(CNc2cc(-n3cccn3)nc(N)[nH+]2)CC[NH+](C)CC1 ZINC000357566302 445568296 /nfs/dbraw/zinc/56/82/96/445568296.db2.gz LROWDFQNDQOALX-UHFFFAOYSA-N 2 0 333.465 1.484 20 0 EDADRP CC(C)[N@@H+](C)C[C@@H](C)NC(=O)N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000360125098 445580785 /nfs/dbraw/zinc/58/07/85/445580785.db2.gz NQTPXWOVHOUCEB-CVEARBPZSA-N 2 0 326.485 1.079 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362856367 445583482 /nfs/dbraw/zinc/58/34/82/445583482.db2.gz QUQWVDLMBNQKSG-QGZVFWFLSA-N 2 0 325.497 1.678 20 0 EDADRP CC[C@@H]1CN(C(=O)N[C@H](C)C[NH+](C)C(C)C)CC[N@@H+]1C[C@@H](C)O ZINC000360134063 445586689 /nfs/dbraw/zinc/58/66/89/445586689.db2.gz FKYNZEZKTFQWTJ-BZUAXINKSA-N 2 0 328.501 1.202 20 0 EDADRP C[NH+]1CCC(CC(=O)N2CC[C@@H](OCC[NH+]3CCCCC3)C2)CC1 ZINC000362894689 445600085 /nfs/dbraw/zinc/60/00/85/445600085.db2.gz DRMAEHCRZSXNJM-GOSISDBHSA-N 2 0 337.508 1.822 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CCC(OCC[NH+](CC)CC)CC1 ZINC000353470320 445615677 /nfs/dbraw/zinc/61/56/77/445615677.db2.gz QPQJNQOZWCRPJY-IRXDYDNUSA-N 2 0 325.497 1.724 20 0 EDADRP CC[NH+]1CCC(NC(=O)C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000349614784 445623283 /nfs/dbraw/zinc/62/32/83/445623283.db2.gz ULZCBEUZYARYHR-INIZCTEOSA-N 2 0 345.491 1.416 20 0 EDADRP C[C@H]1CCCC[C@@H]1OCCNC(=O)C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358507002 445623779 /nfs/dbraw/zinc/62/37/79/445623779.db2.gz MLRQPOZBTYWMGR-IRXDYDNUSA-N 2 0 337.508 1.773 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(N3CCOCC3)CCSC2)[C@@H]2CCC[C@@H]21 ZINC000353525251 445642262 /nfs/dbraw/zinc/64/22/62/445642262.db2.gz XIRKAVCVXUJKGR-XLAORIBOSA-N 2 0 339.549 1.657 20 0 EDADRP O=C(C[N@@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc2c(c1)OCCCO2 ZINC000358519861 445630711 /nfs/dbraw/zinc/63/07/11/445630711.db2.gz UCXSLDHZFMCULL-UHFFFAOYSA-N 2 0 345.443 1.862 20 0 EDADRP CC1CC[NH+](CC2CC[NH+](CCCN3C(=O)CNC3=O)CC2)CC1 ZINC000360223360 445639045 /nfs/dbraw/zinc/63/90/45/445639045.db2.gz SIBBZMIFDSGOMF-UHFFFAOYSA-N 2 0 336.480 1.372 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)NC[C@]2([NH+](C)C)CCSC2)C1 ZINC000360247265 445654109 /nfs/dbraw/zinc/65/41/09/445654109.db2.gz BFNHQXBKCXFRHS-GOEBONIOSA-N 2 0 328.526 1.455 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCCNc1cc[nH+]cc1)c1ccc(F)cc1 ZINC000356181128 445665280 /nfs/dbraw/zinc/66/52/80/445665280.db2.gz NWOFMKBUHGJTRG-QGZVFWFLSA-N 2 0 345.422 1.657 20 0 EDADRP Cc1nc(N2CCC[C@H]([NH+](C)C)C2)nc(N2CCC[C@H]([NH+](C)C)C2)n1 ZINC000356169315 445658537 /nfs/dbraw/zinc/65/85/37/445658537.db2.gz HZEXNEAKBZBHMD-HOTGVXAUSA-N 2 0 347.511 1.241 20 0 EDADRP C[C@H](CNC(=O)c1cnn(CC[NH+]2CCCCC2)c1)[N@H+](C)C1CC1 ZINC000363279052 445750872 /nfs/dbraw/zinc/75/08/72/445750872.db2.gz VJWRSHPKYVVYON-OAHLLOKOSA-N 2 0 333.480 1.582 20 0 EDADRP CN1CCO[C@H]2CN(C(=O)NC[C@H](c3ccsc3)[NH+](C)C)C[C@@H]21 ZINC000350033874 445753242 /nfs/dbraw/zinc/75/32/42/445753242.db2.gz OBKAGVGLTBDRGB-ILXRZTDVSA-N 2 0 338.477 1.075 20 0 EDADRP OCC[NH+]1CCC(C[NH2+][C@H](c2ccccc2)c2ccncn2)CC1 ZINC000358753754 445758228 /nfs/dbraw/zinc/75/82/28/445758228.db2.gz QQDPARNXMWHMGZ-LJQANCHMSA-N 2 0 326.444 1.860 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N(C)[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000350087550 445765119 /nfs/dbraw/zinc/76/51/19/445765119.db2.gz JHJGEBCOYFCIGS-QGZVFWFLSA-N 2 0 338.496 1.365 20 0 EDADRP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1C[NH+]2CCC[C@H]2CO1)c1ccccc1 ZINC000363475446 445818261 /nfs/dbraw/zinc/81/82/61/445818261.db2.gz WRGBJOFNUSCKMF-KSZLIROESA-N 2 0 331.460 1.659 20 0 EDADRP CC(C)N(CC[NH+](C)C)C(=O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000356411153 445777969 /nfs/dbraw/zinc/77/79/69/445777969.db2.gz DDPYFDJCZINZSU-MRXNPFEDSA-N 2 0 340.512 1.022 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000361494399 445787083 /nfs/dbraw/zinc/78/70/83/445787083.db2.gz HCPGFZNSBAVSBA-KSZLIROESA-N 2 0 338.540 1.782 20 0 EDADRP Cc1cc(NC(=O)c2csc(CC[NH3+])n2)n(C2CC[NH+](C)CC2)n1 ZINC000358849009 445808337 /nfs/dbraw/zinc/80/83/37/445808337.db2.gz BHZKYOMAOZQBKX-UHFFFAOYSA-N 2 0 348.476 1.668 20 0 EDADRP CC(C)c1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)CN2CCCC2=O)C1 ZINC000363505971 445835854 /nfs/dbraw/zinc/83/58/54/445835854.db2.gz DERFKPQGLNNQSX-HZPDHXFCSA-N 2 0 334.464 1.627 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000353978938 445837792 /nfs/dbraw/zinc/83/77/92/445837792.db2.gz OTUXODVXFKSCHU-QPSCCSFWSA-N 2 0 335.414 1.712 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]C[C@H](N2CCOCC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000353978936 445837825 /nfs/dbraw/zinc/83/78/25/445837825.db2.gz OTUXODVXFKSCHU-AJNGGQMLSA-N 2 0 335.414 1.712 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CNC(=O)NCc1ccncc1OCC[NH+](C)C ZINC000358917642 445847126 /nfs/dbraw/zinc/84/71/26/445847126.db2.gz CXCZOQZENYBDOQ-INIZCTEOSA-N 2 0 349.479 1.306 20 0 EDADRP CC[C@@H](C)[N@H+](C)CCNC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000361775462 445934169 /nfs/dbraw/zinc/93/41/69/445934169.db2.gz WFKHFEHEZUTOGT-MRXNPFEDSA-N 2 0 342.528 1.859 20 0 EDADRP COCC[C@]1(C(=O)NCC(C)(C)[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH2+]C1 ZINC000361717345 445895618 /nfs/dbraw/zinc/89/56/18/445895618.db2.gz DIDWLVAWJLZLBA-JTDSTZFVSA-N 2 0 339.524 1.875 20 0 EDADRP COCC[NH+]1CCC(NC(=O)[C@@]2([NH+](C)C)CCCSC2)CC1 ZINC000361784980 445942993 /nfs/dbraw/zinc/94/29/93/445942993.db2.gz QYBRTGGOPWUMHU-MRXNPFEDSA-N 2 0 329.510 1.041 20 0 EDADRP C[C@]1(O)CCC[NH+](CCOCC[N@H+]2CCC[C@](C)(O)CC2)CC1 ZINC000369129409 445944493 /nfs/dbraw/zinc/94/44/93/445944493.db2.gz DQTPCAJCAUQGPI-ROUUACIJSA-N 2 0 328.497 1.477 20 0 EDADRP CCNc1nc(NC(C)(C)C)nc(N2CC[C@]3(CC[N@H+](C)C3)C2)n1 ZINC000366110059 446019115 /nfs/dbraw/zinc/01/91/15/446019115.db2.gz HIPIXXLAVPETRN-KRWDZBQOSA-N 2 0 333.484 1.468 20 0 EDADRP CC[N@@H+]1CC[C@H](N(C)CC(=O)NC2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC000354208031 446001899 /nfs/dbraw/zinc/00/18/99/446001899.db2.gz NMLHBOTXBGPWPD-AEFFLSMTSA-N 2 0 338.540 1.780 20 0 EDADRP CC[NH+]1CCN(c2ccc(Cl)cc2NC(=O)NC2C[NH2+]C2)CC1 ZINC000583131983 326007783 /nfs/dbraw/zinc/00/77/83/326007783.db2.gz UFYFXOISTSYPIM-UHFFFAOYSA-N 2 0 337.855 1.575 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CCCN2CCc3ccccc32)C[C@H](C)O1 ZINC000583138895 326010272 /nfs/dbraw/zinc/01/02/72/326010272.db2.gz NUHGKTSGNFHBFH-SCTDSRPQSA-N 2 0 347.503 1.499 20 0 EDADRP C[NH+](C)Cc1ccc(CNC(=O)c2cn([C@@H]3CCC[NH2+]C3)nn2)cc1 ZINC000583435165 326072143 /nfs/dbraw/zinc/07/21/43/326072143.db2.gz SBZBXJGNKIAKSG-MRXNPFEDSA-N 2 0 342.447 1.194 20 0 EDADRP COc1ccccc1[C@@H](CNC(=O)N1CCC[NH2+]CC1)[NH+]1CCCC1 ZINC000583489141 326081687 /nfs/dbraw/zinc/08/16/87/326081687.db2.gz VJLKEOUKSWQKGE-QGZVFWFLSA-N 2 0 346.475 1.837 20 0 EDADRP C[C@@H]1CN(C[C@@H](O)C[NH2+]CC2(C)Cc3ccccc3C2)C[C@H](C)O1 ZINC000583626597 326105825 /nfs/dbraw/zinc/10/58/25/326105825.db2.gz XWMBCPQVPGESFM-FCEWJHQRSA-N 2 0 332.488 1.851 20 0 EDADRP [NH3+]C[C@H]1CN(C(=O)NCc2ccccc2C[NH+]2CCCCC2)CCO1 ZINC000584280896 326233651 /nfs/dbraw/zinc/23/36/51/326233651.db2.gz IKJJMSIREUYNER-SFHVURJKSA-N 2 0 346.475 1.542 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)CC12CCOCC2 ZINC000584291072 326237211 /nfs/dbraw/zinc/23/72/11/326237211.db2.gz XOPDBKIOUSPBBS-IAGOWNOFSA-N 2 0 331.460 1.681 20 0 EDADRP CCCCOC[C@H](O)C[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000366173082 446060569 /nfs/dbraw/zinc/06/05/69/446060569.db2.gz XOAGEQRHMUCNSL-ZJPYXAASSA-N 2 0 328.497 1.643 20 0 EDADRP [NH3+][C@@H]1CC[C@H]2C[N@H+](CCC(=O)NC(=O)NCc3ccccc3)C[C@H]12 ZINC000351476251 446077399 /nfs/dbraw/zinc/07/73/99/446077399.db2.gz KHXNVAKXODXETJ-HRCADAONSA-N 2 0 330.432 1.072 20 0 EDADRP O=C(CCC[NH+]1CCN(c2ccccc2)CC1)N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359423513 446215563 /nfs/dbraw/zinc/21/55/63/446215563.db2.gz LMPQVNJDXBFWBV-QZTJIDSGSA-N 2 0 342.487 1.267 20 0 EDADRP C[C@H]1C[N@H+](CCCNC(=O)N2CCC[NH+](C3CC3)CC2)CCCO1 ZINC000365497090 446231918 /nfs/dbraw/zinc/23/19/18/446231918.db2.gz ILPJGJLQAAYGDI-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000365713117 446311266 /nfs/dbraw/zinc/31/12/66/446311266.db2.gz QPGWTHAFRWRPCW-JLJPHGGASA-N 2 0 339.867 1.813 20 0 EDADRP COC[C@H](C)OC[C@H](O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365719454 446313924 /nfs/dbraw/zinc/31/39/24/446313924.db2.gz SCDOOAWFPTTWDR-XYJFISCASA-N 2 0 340.508 1.595 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCC[C@@H](C(N)=O)C2)[C@H]1SC ZINC000362322206 446319136 /nfs/dbraw/zinc/31/91/36/446319136.db2.gz MCVNYWNBOZEBAD-LXTVHRRPSA-N 2 0 329.510 1.072 20 0 EDADRP O=C(NCC[N@H+]1CC=CCC1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000373757060 446327494 /nfs/dbraw/zinc/32/74/94/446327494.db2.gz JWVVCBWODWICEU-UHFFFAOYSA-N 2 0 328.460 1.672 20 0 EDADRP CCN1CCN(C(=O)[C@@H](C)N2CCC([N@@H+]3CCC[C@H]3C)CC2)CC1 ZINC000366660237 446298353 /nfs/dbraw/zinc/29/83/53/446298353.db2.gz ARRQPLOYWUUITG-IAGOWNOFSA-N 2 0 336.524 1.488 20 0 EDADRP CC[N@H+](CCNC(=O)N1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1)C(C)C ZINC000417468995 446352943 /nfs/dbraw/zinc/35/29/43/446352943.db2.gz YSXKSYWPFKOWMU-IRXDYDNUSA-N 2 0 340.512 1.645 20 0 EDADRP [NH3+]C[C@H](NC(=O)NC[C@@H]1CC[N@H+](CCc2ccccc2)C1)C1CC1 ZINC000417488854 446354552 /nfs/dbraw/zinc/35/45/52/446354552.db2.gz ATVBKGWXDAFBGS-WMZOPIPTSA-N 2 0 330.476 1.588 20 0 EDADRP COCC[N@H+](C)CC[C@H](NC(=O)N1CC[C@@H]([NH3+])[C@@H]1C)c1ccccc1 ZINC000417490036 446355036 /nfs/dbraw/zinc/35/50/36/446355036.db2.gz GKNCKUWFSJCYMT-JQHSSLGASA-N 2 0 348.491 1.827 20 0 EDADRP C[NH+](C)CCOc1cc(CNC(=O)N2CCC[C@H](CC[NH3+])C2)ccn1 ZINC000417956716 446399287 /nfs/dbraw/zinc/39/92/87/446399287.db2.gz TYSBHKLGJRJKCY-OAHLLOKOSA-N 2 0 349.479 1.292 20 0 EDADRP Cc1nn(C)c(N2CCC[NH+](C)CC2)c1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000370619927 446360234 /nfs/dbraw/zinc/36/02/34/446360234.db2.gz IBBJILPPBBHRPP-WBVHZDCISA-N 2 0 348.539 1.443 20 0 EDADRP C[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)CN1CC[NH+](C)CC1 ZINC000376164386 446361862 /nfs/dbraw/zinc/36/18/62/446361862.db2.gz FPOFEWYOLCRZQD-HNNXBMFYSA-N 2 0 337.537 1.585 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCN(c3ncccn3)CC2)CC1 ZINC000374337402 446363745 /nfs/dbraw/zinc/36/37/45/446363745.db2.gz NDFHWMHPCWGXAY-UHFFFAOYSA-N 2 0 346.523 1.405 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N2CC[NH2+]C(C)(C)C2)CC1 ZINC000417545925 446364164 /nfs/dbraw/zinc/36/41/64/446364164.db2.gz KWYVNVUFWPBANP-UHFFFAOYSA-N 2 0 326.485 1.269 20 0 EDADRP C[C@@H]1C[C@@H]([NH2+]CCCN2C(=O)NC3(CCCCC3)C2=O)CC[N@@H+]1C ZINC000370671689 446380615 /nfs/dbraw/zinc/38/06/15/446380615.db2.gz WNOJISSVDQTFKY-CABCVRRESA-N 2 0 336.480 1.704 20 0 EDADRP C[C@@H]1C[C@@H](CCNC(=O)NCC2C[NH2+]C2)C[N@@H+]1Cc1ccccc1 ZINC000417914741 446384105 /nfs/dbraw/zinc/38/41/05/446384105.db2.gz AXFVAORMPZOQQV-NVXWUHKLSA-N 2 0 330.476 1.806 20 0 EDADRP CN(C(=O)C[C@@H](O)CC(C)(C)C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000365894705 446392401 /nfs/dbraw/zinc/39/24/01/446392401.db2.gz KBUJDNOYSFIPND-DLBZAZTESA-N 2 0 339.524 1.801 20 0 EDADRP CCC[NH2+]CCNC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000417946214 446394859 /nfs/dbraw/zinc/39/48/59/446394859.db2.gz YQNBFIHKFOQYAO-OAHLLOKOSA-N 2 0 333.480 1.906 20 0 EDADRP C[C@H]([NH3+])[C@H]1CCCN(C(=O)NCc2ccccc2OCC[NH+](C)C)C1 ZINC000417368544 446349501 /nfs/dbraw/zinc/34/95/01/446349501.db2.gz RDPJMYKPUZNBLS-RDJZCZTQSA-N 2 0 348.491 1.896 20 0 EDADRP C[NH+](C)CCc1ccc(CNC(=O)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000418059474 446427106 /nfs/dbraw/zinc/42/71/06/446427106.db2.gz UHZKRCRTMMAPPH-HNNXBMFYSA-N 2 0 340.418 1.587 20 0 EDADRP C[C@H](CC(=O)N1CCC[N@@H+](C2CCOCC2)CC1)C1CC[NH2+]CC1 ZINC000370774889 446433734 /nfs/dbraw/zinc/43/37/34/446433734.db2.gz TXLUYEUIQXGIFY-MRXNPFEDSA-N 2 0 337.508 1.726 20 0 EDADRP COc1ccc([C@H](NC[C@H]2CCC[N@@H+]2CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000423144945 446439690 /nfs/dbraw/zinc/43/96/90/446439690.db2.gz ILDFVAZVFWKGKP-HOJAQTOUSA-N 2 0 347.503 1.925 20 0 EDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](c3ccnc(N)n3)C2)CC1 ZINC000366986439 446446440 /nfs/dbraw/zinc/44/64/40/446446440.db2.gz DYZZSDWUGJEHBZ-KRWDZBQOSA-N 2 0 346.523 1.654 20 0 EDADRP C[C@@H]1[C@H]([NH3+])CCN1C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000418184779 446451178 /nfs/dbraw/zinc/45/11/78/446451178.db2.gz ABHCSXNOYPIWFY-UKRRQHHQSA-N 2 0 335.452 1.043 20 0 EDADRP O=C(NCCc1ccc(OCC[NH+]2CCCC2)cc1)NCC1C[NH2+]C1 ZINC000417982569 446406668 /nfs/dbraw/zinc/40/66/68/446406668.db2.gz LBHGTRBVUKJLET-UHFFFAOYSA-N 2 0 346.475 1.222 20 0 EDADRP CC[NH2+][C@H](C)CNC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1ccnn1C ZINC000418184153 446451455 /nfs/dbraw/zinc/45/14/55/446451455.db2.gz PMKVYRNJVJUCGG-IJEWVQPXSA-N 2 0 336.484 1.100 20 0 EDADRP COc1cccc([C@@H]2[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000417989471 446409445 /nfs/dbraw/zinc/40/94/45/446409445.db2.gz LJANGGUGBMZATA-JEBQAFNWSA-N 2 0 346.475 1.962 20 0 EDADRP CCC([NH3+])(CC)CNC(=O)NCc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000418004070 446412178 /nfs/dbraw/zinc/41/21/78/446412178.db2.gz ZLUYELBBQLQDAN-QGZVFWFLSA-N 2 0 348.491 1.570 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000418008204 446413964 /nfs/dbraw/zinc/41/39/64/446413964.db2.gz GWOGXPHYBQLTQK-LULLPPNCSA-N 2 0 342.487 1.900 20 0 EDADRP C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000418012643 446415166 /nfs/dbraw/zinc/41/51/66/446415166.db2.gz SJLMYSWHAQGMDP-JCGIZDLHSA-N 2 0 330.476 1.934 20 0 EDADRP O=C([C@@H]1C[NH2+]CCO1)N1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370763989 446423665 /nfs/dbraw/zinc/42/36/65/446423665.db2.gz SOKPXSSLFDHJPP-AZUAARDMSA-N 2 0 343.471 1.490 20 0 EDADRP COc1ccccc1CCC[N@@H+]1CCC[C@H](C(=O)N2CC[NH2+]CC2)C1 ZINC000420290435 446454487 /nfs/dbraw/zinc/45/44/87/446454487.db2.gz JAZHJSAOKFFRQG-SFHVURJKSA-N 2 0 345.487 1.772 20 0 EDADRP CCOC(=O)CN(C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1)c1ccccc1 ZINC000420304545 446467798 /nfs/dbraw/zinc/46/77/98/446467798.db2.gz YEEUUTQYRZRZDQ-OAHLLOKOSA-N 2 0 347.459 1.642 20 0 EDADRP [NH3+]CCCN(Cc1ccccc1)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000418237853 446468494 /nfs/dbraw/zinc/46/84/94/446468494.db2.gz NLUHULZOQOYLEE-OAHLLOKOSA-N 2 0 327.432 1.828 20 0 EDADRP COC(=O)c1ccccc1N(C)C(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000420305380 446468683 /nfs/dbraw/zinc/46/86/83/446468683.db2.gz ZADHCNVLXNCWQR-CYBMUJFWSA-N 2 0 333.432 1.495 20 0 EDADRP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(S(=O)(=O)N(C)C)c1 ZINC000423277672 446471570 /nfs/dbraw/zinc/47/15/70/446471570.db2.gz PSEGUHIVJZXFJN-NOLJZWGESA-N 2 0 325.478 1.715 20 0 EDADRP C[C@@H]1CN(CCN(Cc2nccn2C)[C@@H]2CC23CC[NH2+]CC3)CCO1 ZINC000420318440 446483886 /nfs/dbraw/zinc/48/38/86/446483886.db2.gz WDHFYVVETKEXJF-IAGOWNOFSA-N 2 0 347.507 1.085 20 0 EDADRP C[C@H](C(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000432547326 446484240 /nfs/dbraw/zinc/48/42/40/446484240.db2.gz SXEKYHYHUBOVCJ-DLBZAZTESA-N 2 0 325.497 1.868 20 0 EDADRP COc1cc[nH+]c(N2CCN(C(=O)NCC3([NH3+])CCCCC3)CC2)c1 ZINC000418293428 446487090 /nfs/dbraw/zinc/48/70/90/446487090.db2.gz FIQZEPKNEHFTCK-UHFFFAOYSA-N 2 0 347.463 1.583 20 0 EDADRP CC[NH+](CC)C[C@@H]1CCCC[C@H]1NC(=O)NCCN1CC[NH2+]CC1 ZINC000418297393 446490291 /nfs/dbraw/zinc/49/02/91/446490291.db2.gz KTUQUYBBCFGVFU-DLBZAZTESA-N 2 0 339.528 1.091 20 0 EDADRP COCC[NH+]1CCC(N[C@@H]2C[NH2+]CC[C@H]2c2ccc(OC)cc2)CC1 ZINC000423336600 446493143 /nfs/dbraw/zinc/49/31/43/446493143.db2.gz QNHFNHBRDSXMDX-VQTJNVASSA-N 2 0 347.503 1.841 20 0 EDADRP CC1CC[NH+](CCCCNC(=O)c2cn(CCCC[NH3+])nn2)CC1 ZINC000423337832 446494800 /nfs/dbraw/zinc/49/48/00/446494800.db2.gz UEPPWLBBSROKLT-UHFFFAOYSA-N 2 0 336.484 1.259 20 0 EDADRP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc2c(c1)OCO2 ZINC000420331474 446501318 /nfs/dbraw/zinc/50/13/18/446501318.db2.gz CAASRIGPOWKYLP-UONOGXRCSA-N 2 0 331.416 1.675 20 0 EDADRP C[C@H](C(=O)Nc1ccc(C(N)=O)cc1)[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343877 446515387 /nfs/dbraw/zinc/51/53/87/446515387.db2.gz RQCKBHQNDOVLKA-KBMXLJTQSA-N 2 0 344.459 1.434 20 0 EDADRP O=C(C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)NCCc1ccc(Cl)cc1 ZINC000420328681 446497737 /nfs/dbraw/zinc/49/77/37/446497737.db2.gz FIKYVTGMMFMDJR-IYBDPMFKSA-N 2 0 335.879 1.930 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1c[nH]nc1[C@@H]1CCC[NH2+]C1 ZINC000423357571 446497821 /nfs/dbraw/zinc/49/78/21/446497821.db2.gz IKQYGIYIZJDMDY-RBSFLKMASA-N 2 0 333.480 1.727 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)NCC2([NH3+])CCCCC2)CC1 ZINC000418323750 446499000 /nfs/dbraw/zinc/49/90/00/446499000.db2.gz VEKLYMQJCSTUQM-UHFFFAOYSA-N 2 0 340.512 1.790 20 0 EDADRP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000423359843 446499879 /nfs/dbraw/zinc/49/98/79/446499879.db2.gz PQXSYWXVMRWVPV-RDJZCZTQSA-N 2 0 333.480 1.658 20 0 EDADRP COCC[N@H+](C)CCCC1CCN(C(=O)NC[C@@H]([NH3+])C2CC2)CC1 ZINC000418481820 446558931 /nfs/dbraw/zinc/55/89/31/446558931.db2.gz ABNQNTIFSHWSNY-QGZVFWFLSA-N 2 0 340.512 1.504 20 0 EDADRP COC(=O)CC1([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)CCC1 ZINC000411477485 446561093 /nfs/dbraw/zinc/56/10/93/446561093.db2.gz IIUUORJWFXBSRP-UHFFFAOYSA-N 2 0 325.453 1.051 20 0 EDADRP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420389014 446564890 /nfs/dbraw/zinc/56/48/90/446564890.db2.gz NEOJCLQXVFVBPY-MLHJIOFPSA-N 2 0 349.519 1.724 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccc(F)cc1 ZINC000420349247 446525433 /nfs/dbraw/zinc/52/54/33/446525433.db2.gz OEPXQYRMYWIEHW-MPGHIAIKSA-N 2 0 348.466 1.371 20 0 EDADRP COc1ccc([C@@H](C[NH+](C)C)NC(=O)NC2CCC([NH3+])CC2)cc1 ZINC000418391777 446526842 /nfs/dbraw/zinc/52/68/42/446526842.db2.gz VFPJYAFKBUOMFY-VMBOVVBDSA-N 2 0 334.464 1.867 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cn(C)nc1[C@H]1CCC[NH2+]C1 ZINC000423425508 446530914 /nfs/dbraw/zinc/53/09/14/446530914.db2.gz MHNAMAKNJONTDW-JKSUJKDBSA-N 2 0 347.507 1.881 20 0 EDADRP C[N@H+](Cc1ccccn1)[C@H]1CCCN(C(=O)NCC(C)(C)[NH3+])CC1 ZINC000418412180 446533925 /nfs/dbraw/zinc/53/39/25/446533925.db2.gz HDHQVXJXVZOBPW-INIZCTEOSA-N 2 0 333.480 1.815 20 0 EDADRP C[C@@H]1COCC[C@@H]1[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000433138723 446535582 /nfs/dbraw/zinc/53/55/82/446535582.db2.gz ZHRNFDQJCTVWPU-APWZRJJASA-N 2 0 345.487 1.913 20 0 EDADRP CCOCC[N@@H+]1CCN(C(=O)N[C@@H](C[NH3+])CC(C)C)C[C@@H]1CC ZINC000418416099 446536179 /nfs/dbraw/zinc/53/61/79/446536179.db2.gz PFTBXWJLAXNCTD-CVEARBPZSA-N 2 0 328.501 1.502 20 0 EDADRP COc1ccccc1O[C@@H](C)CNC(=O)CCC[NH+]1CCC([NH3+])CC1 ZINC000433155897 446538649 /nfs/dbraw/zinc/53/86/49/446538649.db2.gz ZXDIQRJFARPOEN-HNNXBMFYSA-N 2 0 349.475 1.782 20 0 EDADRP C[N@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C(N)=O)c1cccc(Br)c1 ZINC000420359925 446540265 /nfs/dbraw/zinc/54/02/65/446540265.db2.gz LFOCIJAARPGBPJ-BXUZGUMPSA-N 2 0 340.265 1.907 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000423445405 446541292 /nfs/dbraw/zinc/54/12/92/446541292.db2.gz SBJTYZUJGPWCTP-IAGOWNOFSA-N 2 0 333.480 1.754 20 0 EDADRP OCC[NH+]1CCC(CN[C@H](c2cn[nH]n2)c2ccc(F)cc2)CC1 ZINC000453103812 446545003 /nfs/dbraw/zinc/54/50/03/446545003.db2.gz SHKHTRIRJIEHPS-KRWDZBQOSA-N 2 0 333.411 1.327 20 0 EDADRP C[C@@H]1CN(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1[NH3+] ZINC000420375478 446552343 /nfs/dbraw/zinc/55/23/43/446552343.db2.gz OIXSXUMFQGSBHN-QAPCUYQASA-N 2 0 330.476 1.178 20 0 EDADRP CCC[NH2+]CCNC(=O)N1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000418471317 446556631 /nfs/dbraw/zinc/55/66/31/446556631.db2.gz KKRCFFWZMLZZRQ-UHFFFAOYSA-N 2 0 339.528 1.045 20 0 EDADRP CC[N@H+](CCO)CCNC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000418479369 446557607 /nfs/dbraw/zinc/55/76/07/446557607.db2.gz AJLGGBBLTFNIDD-SFHVURJKSA-N 2 0 344.459 1.453 20 0 EDADRP COCC[NH+]1CCC(NC(=O)NC[C@H]2CCCC[N@@H+]2C2CC2)CC1 ZINC000433908194 446611329 /nfs/dbraw/zinc/61/13/29/446611329.db2.gz NUWHFXUUKBVOAQ-QGZVFWFLSA-N 2 0 338.496 1.413 20 0 EDADRP CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+]([C@H]3CCSC3)CC2)C1 ZINC000411579480 446614322 /nfs/dbraw/zinc/61/43/22/446614322.db2.gz UTIBWWPJNHVDSL-HOTGVXAUSA-N 2 0 325.522 1.804 20 0 EDADRP C[C@@H](O)C[NH+]1CCC(CN(C)C(=O)N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000418617749 446617427 /nfs/dbraw/zinc/61/74/27/446617427.db2.gz IKSQUNZSGGNOQQ-RHSMWYFYSA-N 2 0 340.512 1.238 20 0 EDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)NCC2([NH3+])CCC2)CC1 ZINC000418504452 446569966 /nfs/dbraw/zinc/56/99/66/446569966.db2.gz AGQRFXZUVJDYJJ-IYBDPMFKSA-N 2 0 337.512 1.068 20 0 EDADRP C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000453632120 446576625 /nfs/dbraw/zinc/57/66/25/446576625.db2.gz DUZGMLZHIJECCO-DYVFJYSZSA-N 2 0 346.475 1.630 20 0 EDADRP CCc1ccc([C@H](CO)[NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)cc1 ZINC000411511898 446579187 /nfs/dbraw/zinc/57/91/87/446579187.db2.gz QPAAFQSSFQJESR-IBGZPJMESA-N 2 0 347.503 1.861 20 0 EDADRP CN(C(=O)C[NH+]1CCC(O)(C[NH3+])CC1)[C@@H]1CCCc2ccccc21 ZINC000420407082 446580113 /nfs/dbraw/zinc/58/01/13/446580113.db2.gz SOMPXIZNMLEFEP-QGZVFWFLSA-N 2 0 331.460 1.308 20 0 EDADRP CCC[C@@H]1CN(C(=O)NC[C@@]2(C)CCC[NH2+]C2)CC[N@@H+]1CCOC ZINC000418537488 446585483 /nfs/dbraw/zinc/58/54/83/446585483.db2.gz JUUVNVQYBTUYQQ-AEFFLSMTSA-N 2 0 340.512 1.518 20 0 EDADRP COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)N[C@H](C)CCCC[NH3+])cc1 ZINC000418569707 446597886 /nfs/dbraw/zinc/59/78/86/446597886.db2.gz YALUJLUYKVNWAM-FHLIZLRMSA-N 2 0 348.491 1.957 20 0 EDADRP C[C@@H]1CCN(S(=O)(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C[NH3+])C1 ZINC000420425676 446599532 /nfs/dbraw/zinc/59/95/32/446599532.db2.gz SUJSRFBGAVXCTR-HIFRSBDPSA-N 2 0 325.478 1.496 20 0 EDADRP [NH3+]CCC[C@@H](NC(=O)N[C@H]1CCC[N@H+](CCCO)C1)c1ccccc1 ZINC000418666734 446642186 /nfs/dbraw/zinc/64/21/86/446642186.db2.gz GMQLJIVOOHBKTF-ZWKOTPCHSA-N 2 0 348.491 1.613 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)c1cn(CCCC[NH3+])nn1 ZINC000423719990 446659018 /nfs/dbraw/zinc/65/90/18/446659018.db2.gz CVFDUNRIZJQXHE-UHFFFAOYSA-N 2 0 344.463 1.221 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000423738907 446669561 /nfs/dbraw/zinc/66/95/61/446669561.db2.gz FNYCDQADNLEJGX-XHSDSOJGSA-N 2 0 339.480 1.380 20 0 EDADRP COc1cc(CNC(=O)[C@H]2C[C@@]23CC[NH2+]C3)ccc1OCC[NH+](C)C ZINC000375256428 446674107 /nfs/dbraw/zinc/67/41/07/446674107.db2.gz QZOILBUVALYQTP-DNVCBOLYSA-N 2 0 347.459 1.251 20 0 EDADRP C[C@@H]1CN(C(=O)NC[C@H]2[NH2+]CCCC2(C)C)CC[N@@H+]1CC(C)(C)O ZINC000418639851 446627893 /nfs/dbraw/zinc/62/78/93/446627893.db2.gz MCZXIJPBCFRCLO-HUUCEWRRSA-N 2 0 340.512 1.251 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)CC1 ZINC000411632582 446628852 /nfs/dbraw/zinc/62/88/52/446628852.db2.gz QKIKDUAXOAWJOO-QXAKKESOSA-N 2 0 349.519 1.913 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CN1CCN(C(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000423755640 446685601 /nfs/dbraw/zinc/68/56/01/446685601.db2.gz KCPXLWPTNPCLAZ-IPQPSQTFSA-N 2 0 348.535 1.536 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000423772148 446697406 /nfs/dbraw/zinc/69/74/06/446697406.db2.gz KMURAZVKNVBJLF-LUXYFRNMSA-N 2 0 325.497 1.756 20 0 EDADRP COC(=O)CC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000423772775 446697972 /nfs/dbraw/zinc/69/79/72/446697972.db2.gz IFJQKRTWOKANKN-DOTOQJQBSA-N 2 0 347.459 1.390 20 0 EDADRP C[NH+]1CCN(Cc2ccc(C(=O)N[C@H]3CC34CC[NH2+]CC4)cc2)CC1 ZINC000368198570 446703569 /nfs/dbraw/zinc/70/35/69/446703569.db2.gz BKJGGQKTRGZAIC-SFHVURJKSA-N 2 0 342.487 1.306 20 0 EDADRP CC[C@H]1CN(C(=O)C[C@H]2C[NH2+]CCO2)CC[N@@H+]1Cc1ccccc1 ZINC000423817705 446706922 /nfs/dbraw/zinc/70/69/22/446706922.db2.gz CKCIDLLVWDWRFX-ROUUACIJSA-N 2 0 331.460 1.488 20 0 EDADRP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000418846204 446748048 /nfs/dbraw/zinc/74/80/48/446748048.db2.gz XLDHROUVWUIQOV-QGZVFWFLSA-N 2 0 346.475 1.136 20 0 EDADRP Cc1ccccc1OC[C@H](O)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371293305 446750189 /nfs/dbraw/zinc/75/01/89/446750189.db2.gz GMTVVPSWQQTVJY-SOAMZJECSA-N 2 0 348.487 1.918 20 0 EDADRP C[C@H]1C[C@@H](CCNC(=O)[C@@H]2C[NH2+]CCO2)C[N@@H+]1Cc1ccccc1 ZINC000423900428 446752248 /nfs/dbraw/zinc/75/22/48/446752248.db2.gz KAQDKPAPKIPPQX-JQHSSLGASA-N 2 0 331.460 1.392 20 0 EDADRP CN(C(=O)CCC[NH+]1CCN(c2ccccc2)CC1)[C@H](C[NH3+])C1CC1 ZINC000423951794 446794571 /nfs/dbraw/zinc/79/45/71/446794571.db2.gz PBNDKMDTDJZJJS-LJQANCHMSA-N 2 0 344.503 1.785 20 0 EDADRP C[N@@H+]1CCC[C@H](C[NH2+]CCC(=O)N2CCOCC2)[C@H]1c1ccccc1 ZINC000375453015 446810827 /nfs/dbraw/zinc/81/08/27/446810827.db2.gz NAXJVMXCULCWKC-UYAOXDASSA-N 2 0 345.487 1.908 20 0 EDADRP CCOC(=O)[C@](C)(O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375476688 446830235 /nfs/dbraw/zinc/83/02/35/446830235.db2.gz SMSWQBKGNURFJP-ZHALLVOQSA-N 2 0 334.460 1.973 20 0 EDADRP Cc1cc(CNC(=O)N(C)[C@@H]2CC[N@@H+](C3CCN(C)CC3)C2)n(C)n1 ZINC000376929538 446803936 /nfs/dbraw/zinc/80/39/36/446803936.db2.gz DQFAIYSYPRREDA-MRXNPFEDSA-N 2 0 348.495 1.038 20 0 EDADRP [NH3+]CCCCNC(=O)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000418929419 446805213 /nfs/dbraw/zinc/80/52/13/446805213.db2.gz AARSKVKNRMYZLI-QGZVFWFLSA-N 2 0 346.475 1.012 20 0 EDADRP C[N@H+](CCCNC(=O)C(=O)NC1CCC([NH3+])CC1)Cc1ccccc1 ZINC000418994240 446853133 /nfs/dbraw/zinc/85/31/33/446853133.db2.gz HRUVOVHPUUSLIL-UHFFFAOYSA-N 2 0 346.475 1.011 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCCN3CCc4sccc4C3)C[C@@H]21 ZINC000454362233 446858940 /nfs/dbraw/zinc/85/89/40/446858940.db2.gz LAUJJXJMXBXWRO-HIFRSBDPSA-N 2 0 334.489 1.452 20 0 EDADRP Cn1cc(C(=O)NC2CC[NH+](C3CC3)CC2)c([C@H]2CCC[NH2+]C2)n1 ZINC000424132754 446859787 /nfs/dbraw/zinc/85/97/87/446859787.db2.gz IOJFIPDRYDKBBN-ZDUSSCGKSA-N 2 0 331.464 1.244 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000368439264 446863490 /nfs/dbraw/zinc/86/34/90/446863490.db2.gz SLWCBTZRGPMAHT-QZTJIDSGSA-N 2 0 325.497 1.630 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000424483762 446881112 /nfs/dbraw/zinc/88/11/12/446881112.db2.gz ZFFKOKHQVPUJHJ-LSDHHAIUSA-N 2 0 326.485 1.256 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000377080752 446907317 /nfs/dbraw/zinc/90/73/17/446907317.db2.gz VHTYQGFVJORYLW-OKZBNKHCSA-N 2 0 333.476 1.549 20 0 EDADRP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)c2csc(CC[NH3+])n2)C1 ZINC000375662382 446958504 /nfs/dbraw/zinc/95/85/04/446958504.db2.gz GCQFEDZVSJVZIA-OAHLLOKOSA-N 2 0 344.484 1.991 20 0 EDADRP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1)[C@H]([NH3+])c1ccccc1 ZINC000377194331 446984319 /nfs/dbraw/zinc/98/43/19/446984319.db2.gz AELSRYCWRZNWRN-WDYCEAGBSA-N 2 0 344.503 1.607 20 0 EDADRP [NH3+]Cc1nnc(-c2ccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)cc2)[nH]1 ZINC000377207003 446992769 /nfs/dbraw/zinc/99/27/69/446992769.db2.gz KVXOPROHSDNWEU-ZDUSSCGKSA-N 2 0 326.404 1.259 20 0 EDADRP C[C@H](C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@H]([NH3+])c1ccccc1 ZINC000372099501 446999854 /nfs/dbraw/zinc/99/98/54/446999854.db2.gz VMQGYERSLVNDDG-HPBDAGMYSA-N 2 0 331.460 1.380 20 0 EDADRP C[C@@H](C(=O)Nc1ccc2c(c1)OCCO2)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059255 447001498 /nfs/dbraw/zinc/00/14/98/447001498.db2.gz MDZIDXUVQNQTGB-KBPBESRZSA-N 2 0 333.432 1.846 20 0 EDADRP CC[N@@H+]1CC[C@H](NC(=O)NCCc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000413227267 447080470 /nfs/dbraw/zinc/08/04/70/447080470.db2.gz AOJJVYBWPZWFLZ-KRWDZBQOSA-N 2 0 348.491 1.563 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCC(O)CC2)c1)[C@H]1C[C@]12CC[NH2+]C2 ZINC000444173164 447087879 /nfs/dbraw/zinc/08/78/79/447087879.db2.gz CACJVCWMTVYKDW-MJGOQNOKSA-N 2 0 329.444 1.581 20 0 EDADRP CCO[C@H]1C[C@@]([NH3+])(C(=O)N2CCC[N@H+](CCCOC)CC2)C1(C)C ZINC000372509863 447097550 /nfs/dbraw/zinc/09/75/50/447097550.db2.gz YSPSQMMOOVJXKG-MAUKXSAKSA-N 2 0 341.496 1.090 20 0 EDADRP C[NH+](C)CCN1CCN(C(=O)[C@H]2CCCN(c3ccccn3)C2)CC1 ZINC000377444491 447135716 /nfs/dbraw/zinc/13/57/16/447135716.db2.gz FTIMYAGUDMSZCM-KRWDZBQOSA-N 2 0 345.491 1.004 20 0 EDADRP CCCN1C[C@@H](C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1=O ZINC000421355320 447140422 /nfs/dbraw/zinc/14/04/22/447140422.db2.gz UENCTYMRTNAZPT-OAHLLOKOSA-N 2 0 327.432 1.924 20 0 EDADRP CC(C)C[NH+]1CCC(NC(=O)N2C[C@H](C)[N@H+](CCO)C[C@H]2C)CC1 ZINC000419404754 447155956 /nfs/dbraw/zinc/15/59/56/447155956.db2.gz GHKUUUZIEUXDIM-JKSUJKDBSA-N 2 0 340.512 1.203 20 0 EDADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486285 447156291 /nfs/dbraw/zinc/15/62/91/447156291.db2.gz FNJRTXWZSUJWRF-LSDHHAIUSA-N 2 0 347.463 1.747 20 0 EDADRP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C2)c1 ZINC000377486283 447156608 /nfs/dbraw/zinc/15/66/08/447156608.db2.gz FNJRTXWZSUJWRF-HUUCEWRRSA-N 2 0 347.463 1.747 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000455643117 447195169 /nfs/dbraw/zinc/19/51/69/447195169.db2.gz CKRQQUXUQKNFDK-UHFFFAOYSA-N 2 0 336.484 1.832 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)NCC2([NH+](C)C)CCC2)CC1 ZINC000445861695 447199879 /nfs/dbraw/zinc/19/98/79/447199879.db2.gz CXCLCILHUNUVEP-UHFFFAOYSA-N 2 0 340.512 1.659 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)[C@@H]2C)CC1 ZINC000425509744 447204105 /nfs/dbraw/zinc/20/41/05/447204105.db2.gz UGDAKYOXGLEEJM-HUUCEWRRSA-N 2 0 326.485 1.221 20 0 EDADRP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000419476365 447209109 /nfs/dbraw/zinc/20/91/09/447209109.db2.gz JKMCPTWKEPGXKY-JKSUJKDBSA-N 2 0 340.512 1.205 20 0 EDADRP CC(C)C[C@H](C[NH3+])NC(=O)C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000419478379 447210501 /nfs/dbraw/zinc/21/05/01/447210501.db2.gz JJRLPJZKHCUVEY-HZPDHXFCSA-N 2 0 340.512 1.247 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000376046464 447233258 /nfs/dbraw/zinc/23/32/58/447233258.db2.gz ZKLWXODZKVRLCH-RYQLBKOJSA-N 2 0 333.476 1.719 20 0 EDADRP COCC(C)(C)[NH+]1CCN(C(=O)NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000425583422 447238335 /nfs/dbraw/zinc/23/83/35/447238335.db2.gz HXXISXBZZAGECV-MQVJKMGUSA-N 2 0 338.496 1.364 20 0 EDADRP CC(C)[NH+]1CCN([C@@H]2CCN(C(=O)N[C@H](C)CC[NH+](C)C)C2)CC1 ZINC000372737114 447258942 /nfs/dbraw/zinc/25/89/42/447258942.db2.gz DLMSEMPTIHHLAF-IAGOWNOFSA-N 2 0 339.528 1.137 20 0 EDADRP COc1ccccc1CNC(=[NH2+])NC[C@H]1CCC[C@H]1[NH+]1CCOCC1 ZINC000369020828 447269011 /nfs/dbraw/zinc/26/90/11/447269011.db2.gz CNTPAGARBFUJQM-NVXWUHKLSA-N 2 0 346.475 1.810 20 0 EDADRP [NH3+]C[C@H]1CCCN1C(=O)C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000415471830 447463151 /nfs/dbraw/zinc/46/31/51/447463151.db2.gz SAKZFNHQCRGFSN-QGZVFWFLSA-N 2 0 344.459 1.213 20 0 EDADRP C[C@@H]1C[C@@H]1[N@@H+]1CCN(C(=O)NCC[NH+]2CCCOCC2)C[C@@H](C)C1 ZINC000458840050 447489089 /nfs/dbraw/zinc/48/90/89/447489089.db2.gz JIBNBVINCULDHR-BBWFWOEESA-N 2 0 338.496 1.080 20 0 EDADRP CC(C)[NH+](CCN(C)C(=O)C(=O)NC[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000419925490 447494727 /nfs/dbraw/zinc/49/47/27/447494727.db2.gz IVONYDGKDBCQFK-QGZVFWFLSA-N 2 0 348.491 1.380 20 0 EDADRP C[C@@H](CNC(=O)C(=O)NC[C@H]([NH3+])c1ccccc1)C[NH+]1CCCCC1 ZINC000419928872 447495902 /nfs/dbraw/zinc/49/59/02/447495902.db2.gz LOUJYJRRBSHMFZ-RDJZCZTQSA-N 2 0 346.475 1.041 20 0 EDADRP O[C@@H](C[NH2+]C[C@H]1CN(Cc2ccccc2)CCCO1)Cn1cccn1 ZINC000390878655 447504808 /nfs/dbraw/zinc/50/48/08/447504808.db2.gz VDDITWTYFBYNMP-OALUTQOASA-N 2 0 344.459 1.125 20 0 EDADRP C[C@@H](C(=O)NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1)C1C[NH2+]C1 ZINC000390985258 447508610 /nfs/dbraw/zinc/50/86/10/447508610.db2.gz XNUMFTPEJIZBKF-QAPCUYQASA-N 2 0 331.460 1.249 20 0 EDADRP C[C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000426927138 447517485 /nfs/dbraw/zinc/51/74/85/447517485.db2.gz SKZJLPPSZPRDTG-NJAFHUGGSA-N 2 0 334.508 1.098 20 0 EDADRP CC[NH+](CC)CCN(CC(C)C)C(=O)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000419886444 447471472 /nfs/dbraw/zinc/47/14/72/447471472.db2.gz DBQNARAJJWFNOF-HZPDHXFCSA-N 2 0 340.512 1.199 20 0 EDADRP CC[N@H+](CCNC(=O)C[NH+](C)[C@@H]1CCSC1)CCC(F)(F)F ZINC000427285168 447574423 /nfs/dbraw/zinc/57/44/23/447574423.db2.gz SWKKSBXAIYNRRC-GFCCVEGCSA-N 2 0 341.443 1.814 20 0 EDADRP c1ccc(C[NH+]2CCN(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000400924830 447575025 /nfs/dbraw/zinc/57/50/25/447575025.db2.gz HAXWVQYSOIPAIV-NJDAHSKKSA-N 3 0 342.531 1.782 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)N2C[C@@H](C)[NH+](C)[C@@H](C)C2)C1 ZINC000457516112 447586286 /nfs/dbraw/zinc/58/62/86/447586286.db2.gz NOYAHSWFBWQQFS-XHSDSOJGSA-N 2 0 326.485 1.077 20 0 EDADRP COc1cccc(CN(CC[NH+](C)C)C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000459046774 447551468 /nfs/dbraw/zinc/55/14/68/447551468.db2.gz VCLGGMSWILLHAC-HNNXBMFYSA-N 2 0 336.480 1.719 20 0 EDADRP O=C([C@H]1CCC[N@@H+]1C1CC1)N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000427156243 447554573 /nfs/dbraw/zinc/55/45/73/447554573.db2.gz XIUFALCFSYKNJW-ZWKOTPCHSA-N 2 0 335.492 1.717 20 0 EDADRP C[C@H]([NH2+]CCOCC[NH+](C)C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400361167 447572440 /nfs/dbraw/zinc/57/24/40/447572440.db2.gz QETSGYRDNQOHAX-LSDHHAIUSA-N 2 0 329.485 1.800 20 0 EDADRP COc1cccc([C@H](CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)[NH+](C)C)c1 ZINC000407338655 447614409 /nfs/dbraw/zinc/61/44/09/447614409.db2.gz VFPWRMRGZSGNHH-KURKYZTESA-N 2 0 331.460 1.945 20 0 EDADRP C[NH+](C)CCOC1CCN(C(=O)NCC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459252380 447621999 /nfs/dbraw/zinc/62/19/99/447621999.db2.gz GWOZHLWCEGICCP-INIZCTEOSA-N 2 0 340.512 1.471 20 0 EDADRP C[C@H](CNC(=O)NC[C@@H]1CCCC[N@@H+]1CCO)[NH+]1CCC[C@@H](C)C1 ZINC000457695045 447622840 /nfs/dbraw/zinc/62/28/40/447622840.db2.gz CVSXNXOGGXHZSU-ZACQAIPSSA-N 2 0 340.512 1.253 20 0 EDADRP CC[C@@H]1CN(C(=O)NCC[C@H]2CCC[NH+](C)C2)CC[N@@H+]1CCOC ZINC000459261031 447626022 /nfs/dbraw/zinc/62/60/22/447626022.db2.gz LAOQCPIZZRQIMB-IAGOWNOFSA-N 2 0 340.512 1.471 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N2CCC[C@H](CC[NH3+])C2)C1 ZINC000416870605 447699991 /nfs/dbraw/zinc/69/99/91/447699991.db2.gz OGXFAYBFXPSUNR-HZPDHXFCSA-N 2 0 326.485 1.114 20 0 EDADRP O=C(N[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC2(CC[NH2+]2)CC1 ZINC000422594924 447661821 /nfs/dbraw/zinc/66/18/21/447661821.db2.gz SXPQFEBOAAMJQA-QGZVFWFLSA-N 2 0 328.460 1.798 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)NC[C@H]([NH3+])c2ccccc2)C[C@@H](C)O1 ZINC000416943645 447720183 /nfs/dbraw/zinc/72/01/83/447720183.db2.gz MACCFXXXSWNIHM-INMHGKMJSA-N 2 0 334.464 1.485 20 0 EDADRP CC(C)[C@H](CNC(=O)N[C@H](C)CCCC[NH3+])[NH+]1CCN(C)CC1 ZINC000416955287 447724925 /nfs/dbraw/zinc/72/49/25/447724925.db2.gz MEBPBACUDNORPQ-CVEARBPZSA-N 2 0 327.517 1.075 20 0 EDADRP C[C@H](C[C@@H]1COCCN1)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422722712 447728854 /nfs/dbraw/zinc/72/88/54/447728854.db2.gz YOLBIOZSRNUROA-YZGWKJHDSA-N 2 0 331.504 1.908 20 0 EDADRP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]CCCN1CCN(c2ncccn2)CC1 ZINC000422835946 447764583 /nfs/dbraw/zinc/76/45/83/447764583.db2.gz ZKWNLOVXBSAHFL-SJORKVTESA-N 2 0 332.496 1.096 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000459696331 447743083 /nfs/dbraw/zinc/74/30/83/447743083.db2.gz DNHKRCZBLXDUHO-IBGZPJMESA-N 2 0 333.476 1.148 20 0 EDADRP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000422782454 447749650 /nfs/dbraw/zinc/74/96/50/447749650.db2.gz MZLLFMSNJWWUDO-WDYCEAGBSA-N 2 0 327.476 1.937 20 0 EDADRP c1ccc2c(c1)CCN(CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000422813558 447756915 /nfs/dbraw/zinc/75/69/15/447756915.db2.gz ZOPCKCIHFJBIDO-HSALFYBXSA-N 2 0 329.488 1.791 20 0 EDADRP O=C(CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCN(c2ccccc2)CC1 ZINC000422846801 447767444 /nfs/dbraw/zinc/76/74/44/447767444.db2.gz QGBLIVPGLJVKRQ-JWTNVVGKSA-N 2 0 342.487 1.598 20 0 EDADRP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CCCN1CCC[C@H]1C(=O)N(C)C ZINC000422878194 447770509 /nfs/dbraw/zinc/77/05/09/447770509.db2.gz JIRCQWFTZWFALG-SQNIBIBYSA-N 2 0 338.540 1.830 20 0 EDADRP CN(C)C(=O)CC[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422913940 447771275 /nfs/dbraw/zinc/77/12/75/447771275.db2.gz ZNWXPEHENRXRGN-MSOLQXFVSA-N 2 0 330.476 1.664 20 0 EDADRP c1ccc2nc(NCC[NH2+][C@H](C3CC3)[C@@H]3CNCCO3)ccc2c1 ZINC000422917663 447772366 /nfs/dbraw/zinc/77/23/66/447772366.db2.gz FKJCCXOTIVOVSG-PKOBYXMFSA-N 2 0 326.444 2.003 20 0 EDADRP CC(C)[C@](C)(C[NH3+])NCC(=O)N(C)CCOc1ccccc1F ZINC000430578677 447780329 /nfs/dbraw/zinc/78/03/29/447780329.db2.gz FJPXXMMYKODUGF-KRWDZBQOSA-N 2 0 325.428 1.626 20 0 EDADRP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCCN1)N1CC[NH+](C)CC1 ZINC000422969206 447783946 /nfs/dbraw/zinc/78/39/46/447783946.db2.gz ZDMOKOSHOPZRNY-MANSERQUSA-N 2 0 338.540 1.005 20 0 EDADRP O[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)COCC1CC1 ZINC000422977986 447786097 /nfs/dbraw/zinc/78/60/97/447786097.db2.gz YEVPFNRQINQEBG-HHXXYDBFSA-N 2 0 332.444 1.619 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CN(C(C)C)C[C@H]2C)CC[NH2+]CC1 ZINC000422986686 447787976 /nfs/dbraw/zinc/78/79/76/447787976.db2.gz DFAXEGPDRJMSDR-OWCLPIDISA-N 2 0 325.497 1.626 20 0 EDADRP O=c1cc(C[NH+]2CCC3(CC[NH2+]C3)CC2)nc2ccc(Cl)cn12 ZINC000431025156 447790003 /nfs/dbraw/zinc/79/00/03/447790003.db2.gz ODUVZCKPSYRVBM-UHFFFAOYSA-N 2 0 332.835 1.923 20 0 EDADRP CC[NH+]1CCN(CC(C)(C)[NH2+]CCCO[C@@H]2CCCCO2)CC1 ZINC000451982772 447795902 /nfs/dbraw/zinc/79/59/02/447795902.db2.gz KAKUDTWSNLCVGV-QGZVFWFLSA-N 2 0 327.513 1.925 20 0 EDADRP C[C@@H]([NH2+]C[C@H](Cc1cccc(F)c1)C(=O)N1CCOCC1)C1C[NH2+]C1 ZINC000423084459 447801326 /nfs/dbraw/zinc/80/13/26/447801326.db2.gz IABZBANMVXYUQI-ZBFHGGJFSA-N 2 0 349.450 1.041 20 0 EDADRP COc1ccc(CN2CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])C2=O)c(OC)c1 ZINC000423105324 447805834 /nfs/dbraw/zinc/80/58/34/447805834.db2.gz IDDTVEJIZJLPBL-XEZPLFJOSA-N 2 0 335.448 1.520 20 0 EDADRP C[NH+](C)[C@@H]1CCC[N@H+](C[C@](C)(O)CNC(=O)OC(C)(C)C)CC1 ZINC000496702657 447851975 /nfs/dbraw/zinc/85/19/75/447851975.db2.gz PNFHUIJHEQIRRT-RHSMWYFYSA-N 2 0 329.485 1.678 20 0 EDADRP C[C@@H](O)CN1CCN(C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000479648919 447823991 /nfs/dbraw/zinc/82/39/91/447823991.db2.gz QTWMKBWEBHPWSV-IAGOWNOFSA-N 2 0 340.512 1.349 20 0 EDADRP CN1C(=O)CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1=O ZINC000575802164 447901092 /nfs/dbraw/zinc/90/10/92/447901092.db2.gz GXUHOQMIECBLIF-IRXDYDNUSA-N 2 0 341.455 1.921 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC([C@@H]2C[C@@H]([NH3+])CCO2)CC1 ZINC000576038649 447956065 /nfs/dbraw/zinc/95/60/65/447956065.db2.gz GYACLNXMBYMUJO-XHSDSOJGSA-N 2 0 325.497 1.756 20 0 EDADRP CC[NH+](CC)CC1CCN(C(=O)c2ccn(CC[NH+](C)C)n2)CC1 ZINC000576050539 447959665 /nfs/dbraw/zinc/95/96/65/447959665.db2.gz JVFZXIVJPRZLLF-UHFFFAOYSA-N 2 0 335.496 1.639 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530574990 447917011 /nfs/dbraw/zinc/91/70/11/447917011.db2.gz QAYZLEHLTWORFK-ICSRJNTNSA-N 2 0 345.487 1.470 20 0 EDADRP C[C@H]1CCC[N@H+](CCNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000530573868 447917391 /nfs/dbraw/zinc/91/73/91/447917391.db2.gz XVHNBGJVRUSTBL-FXAWDEMLSA-N 2 0 345.487 1.472 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1)c1ccnn1C ZINC000576266719 448013372 /nfs/dbraw/zinc/01/33/72/448013372.db2.gz QCBGHLNUNRDIJD-CQSZACIVSA-N 2 0 335.496 1.697 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000525306322 447993394 /nfs/dbraw/zinc/99/33/94/447993394.db2.gz JZLKNVBOVKDSFE-ARFHVFGLSA-N 2 0 340.512 1.325 20 0 EDADRP CC(C)[N@@H+]1CC[C@@H](CNC(=O)NC[C@@]2([NH+](C)C)CCSC2)C1 ZINC000531007151 447999803 /nfs/dbraw/zinc/99/98/03/447999803.db2.gz AJNMFAGBVMAHMJ-HOCLYGCPSA-N 2 0 328.526 1.453 20 0 EDADRP C[N@@H+]1CCC[C@@H](CC[NH2+]CCS(=O)(=O)c2ccc(F)cc2)C1 ZINC000576220643 448002079 /nfs/dbraw/zinc/00/20/79/448002079.db2.gz YYBWNAPKRCBMEV-AWEZNQCLSA-N 2 0 328.453 1.921 20 0 EDADRP CC[N@@H+]1CC[C@@H](CNC(=O)[C@@]2(O)CC[NH+](Cc3ccccc3)C2)C1 ZINC000531047476 448007438 /nfs/dbraw/zinc/00/74/38/448007438.db2.gz JCRKFCDBEFWZFQ-PKOBYXMFSA-N 2 0 331.460 1.081 20 0 EDADRP C[C@H](CNC(=O)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000531046761 448007813 /nfs/dbraw/zinc/00/78/13/448007813.db2.gz ZNYVRTRFDQZKSH-YLJYHZDGSA-N 2 0 345.487 1.472 20 0 EDADRP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NC[C@@H]2C[NH2+]CCCO2)C1 ZINC000576091993 447968224 /nfs/dbraw/zinc/96/82/24/447968224.db2.gz OGRADVYLXPXPJN-HOTGVXAUSA-N 2 0 340.512 1.565 20 0 EDADRP CCC[N@H+](CC)C[C@@H](C)NC(=O)C(=O)Nc1ccc2nccn2c1 ZINC000570491946 448024434 /nfs/dbraw/zinc/02/44/34/448024434.db2.gz SCCLQUULUNICGO-CYBMUJFWSA-N 2 0 331.420 1.509 20 0 EDADRP CC[C@@H](C)NC(=O)c1cccc(CNC[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000576321654 448025360 /nfs/dbraw/zinc/02/53/60/448025360.db2.gz RRKDOFVAHOYDOR-KDOFPFPSSA-N 2 0 333.476 1.760 20 0 EDADRP C[C@H]1CC[N@H+](CCNC(=O)[C@@H]2CCC[NH+](Cc3cccnc3)C2)C1 ZINC000525804200 448028627 /nfs/dbraw/zinc/02/86/27/448028627.db2.gz MDVFYFAXNQVATK-FUHWJXTLSA-N 2 0 330.476 1.752 20 0 EDADRP [NH3+]Cc1cn([C@H]2CCC[N@H+](Cc3cc4ccccc4[nH]c3=O)C2)nn1 ZINC000576844767 448154965 /nfs/dbraw/zinc/15/49/65/448154965.db2.gz FHVYXOHCQQPZPY-INIZCTEOSA-N 2 0 338.415 1.828 20 0 EDADRP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](O)COc1ccc2c(c1)CCC(=O)N2 ZINC000531695789 448129494 /nfs/dbraw/zinc/12/94/94/448129494.db2.gz XBAKOCBALDZYCM-FRFSOERESA-N 2 0 347.459 1.241 20 0 EDADRP CC1CC[NH+](C[C@H](O)C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CC1 ZINC000531717062 448131501 /nfs/dbraw/zinc/13/15/01/448131501.db2.gz RRBLFUWFLMPSOQ-SHARSMKWSA-N 2 0 338.414 1.905 20 0 EDADRP COc1cc(C[N@H+](C)CCC[NH3+])ccc1OCC(=O)N1CCCC1 ZINC000576754536 448133047 /nfs/dbraw/zinc/13/30/47/448133047.db2.gz DOLMYCMPRZOBFF-UHFFFAOYSA-N 2 0 335.448 1.477 20 0 EDADRP CC(C)Cc1ncc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)cn1 ZINC000527153640 448172005 /nfs/dbraw/zinc/17/20/05/448172005.db2.gz ANSXZCCKPWTRFL-UHFFFAOYSA-N 2 0 336.484 1.632 20 0 EDADRP COC(=O)CC1CC([NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)C1 ZINC000571634919 448182967 /nfs/dbraw/zinc/18/29/67/448182967.db2.gz SDBWJXMDLLPKAD-KVZIAJEVSA-N 2 0 345.487 1.906 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000527253805 448194655 /nfs/dbraw/zinc/19/46/55/448194655.db2.gz IPZBGPJWRNBTHC-CVEARBPZSA-N 2 0 325.497 1.555 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1nc2c(s1)COCC2 ZINC000527126254 448164662 /nfs/dbraw/zinc/16/46/62/448164662.db2.gz KMXLABIXPIOOGN-UHFFFAOYSA-N 2 0 341.481 1.173 20 0 EDADRP CCc1nnc(NC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]2CNCC[C@H]2C)s1 ZINC000514596240 448167915 /nfs/dbraw/zinc/16/79/15/448167915.db2.gz NRDRBKJLEZHWEM-WISYIIOYSA-N 2 0 325.482 1.651 20 0 EDADRP CCOC(=O)Cn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2)c1C ZINC000582420867 448233145 /nfs/dbraw/zinc/23/31/45/448233145.db2.gz MLFSXHVOHDXGFV-UHFFFAOYSA-N 2 0 330.432 1.812 20 0 EDADRP O=C(C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1)N1CCOCC1 ZINC000582425791 448236381 /nfs/dbraw/zinc/23/63/81/448236381.db2.gz NWISDYVQOPUVGO-UHFFFAOYSA-N 2 0 343.471 1.403 20 0 EDADRP COc1ccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)[NH+]2CCCC2)cc1 ZINC000515142506 448264896 /nfs/dbraw/zinc/26/48/96/448264896.db2.gz BSYWACQTBYEWQL-GOSISDBHSA-N 2 0 346.475 1.883 20 0 EDADRP O=C(NC[C@@H]1[NH2+]CCc2ccccc21)N1CCC2(CC[NH2+]C2)CC1 ZINC000515621147 448335623 /nfs/dbraw/zinc/33/56/23/448335623.db2.gz ZGTLTWNRZFGNJN-KRWDZBQOSA-N 2 0 328.460 1.659 20 0 EDADRP C[C@H](C(=O)NCc1ccccc1)[NH+]1CCC([C@@H]2OCCC[C@@H]2[NH3+])CC1 ZINC000577845416 448400361 /nfs/dbraw/zinc/40/03/61/448400361.db2.gz DOTUUNYEKNWILQ-MNEFBYGVSA-N 2 0 345.487 1.910 20 0 EDADRP CC(C)[NH+]1CCN([C@H]2CC[N@@H+]([C@H]3CCN(C(C)(C)C)C3=O)C2)CC1 ZINC000577861430 448405585 /nfs/dbraw/zinc/40/55/85/448405585.db2.gz ZTIDGCSLDGPYTI-IRXDYDNUSA-N 2 0 336.524 1.486 20 0 EDADRP C[NH+](C)CCCOC1CCN(C(=O)c2cc([C@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000566182365 448407375 /nfs/dbraw/zinc/40/73/75/448407375.db2.gz HMBANUMZCIBXSA-AWEZNQCLSA-N 2 0 349.479 1.060 20 0 EDADRP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)CC1 ZINC000566199623 448413996 /nfs/dbraw/zinc/41/39/96/448413996.db2.gz VPAFWBVIFITVMK-CRAIPNDOSA-N 2 0 330.476 1.879 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)[C@H]2C[NH2+]Cc3ccccc32)C1 ZINC000577748783 448378369 /nfs/dbraw/zinc/37/83/69/448378369.db2.gz QTHIYCFYYSSLTP-HKUYNNGSSA-N 2 0 345.487 1.833 20 0 EDADRP CN1CCC(CNC(=O)c2cc3n(n2)CCC3)([NH+]2CCCCC2)CC1 ZINC000516538701 448434581 /nfs/dbraw/zinc/43/45/81/448434581.db2.gz ODWRQSVKLSQLHW-UHFFFAOYSA-N 2 0 345.491 1.509 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H](C)[NH2+]C2CC2)c1 ZINC000566288349 448434896 /nfs/dbraw/zinc/43/48/96/448434896.db2.gz DCNRNUODKYWUIA-AWEZNQCLSA-N 2 0 346.475 1.837 20 0 EDADRP C[C@@H]1CC[NH2+][C@@H](C(=O)N(C)CCN2CCN(c3ccccc3)CC2)C1 ZINC000566296996 448437861 /nfs/dbraw/zinc/43/78/61/448437861.db2.gz BOWJDDWCVCKUSQ-IEBWSBKVSA-N 2 0 344.503 1.655 20 0 EDADRP CCN(CC)C(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC000578246410 448499214 /nfs/dbraw/zinc/49/92/14/448499214.db2.gz QAVPRSRBWDIRBQ-KRWDZBQOSA-N 2 0 340.512 1.022 20 0 EDADRP O=C(c1cnn([C@@H]2CCC[NH2+]C2)c1)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000578320526 448514961 /nfs/dbraw/zinc/51/49/61/448514961.db2.gz ZZISMECALWFUHZ-NVXWUHKLSA-N 2 0 331.464 1.366 20 0 EDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)n1ccnc1 ZINC000578513015 448565393 /nfs/dbraw/zinc/56/53/93/448565393.db2.gz IBNNHRITDYSFAU-IAGOWNOFSA-N 2 0 335.496 1.709 20 0 EDADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[NH2+]C2)[NH+]2CCCC2)cc1 ZINC000517098204 448538684 /nfs/dbraw/zinc/53/86/84/448538684.db2.gz OHFOEFVDMRLRJI-AEFFLSMTSA-N 2 0 346.475 1.883 20 0 EDADRP CC[NH+]1CCN(CC(=O)N[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000517165544 448546394 /nfs/dbraw/zinc/54/63/94/448546394.db2.gz WFUHMYCRZLEVHT-HXUWFJFHSA-N 2 0 344.503 1.405 20 0 EDADRP O[C@@H](C[NH2+]C[C@@H](O)CN1CCc2ccccc2C1)Cc1ccccc1 ZINC000567110589 448616374 /nfs/dbraw/zinc/61/63/74/448616374.db2.gz NLKOMTOVLTYYEL-NHCUHLMSSA-N 2 0 340.467 1.599 20 0 EDADRP C[C@@H]1CCC[N@H+](CCCC[NH2+]C[C@H](O)CN2C[C@@H](C)O[C@H](C)C2)C1 ZINC000573316977 448595621 /nfs/dbraw/zinc/59/56/21/448595621.db2.gz SJPNCRNJBYRPSA-MKXGPGLRSA-N 3 0 341.540 1.558 20 0 EDADRP CC[NH+]1CCC(CNC(=O)N(C)C[C@@H]2C[C@H](OC)C[N@@H+]2C)CC1 ZINC000517975110 448638280 /nfs/dbraw/zinc/63/82/80/448638280.db2.gz CEMMDLPEIORLNQ-HOTGVXAUSA-N 2 0 326.485 1.079 20 0 EDADRP COC[C@]1(CNC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCC[NH2+]1 ZINC000573548984 448654621 /nfs/dbraw/zinc/65/46/21/448654621.db2.gz PTRXFYRDBPFHCC-ZIFCJYIRSA-N 2 0 346.475 1.500 20 0 EDADRP CC(C)n1nccc1NC(=O)[C@H](C)N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567276670 448656499 /nfs/dbraw/zinc/65/64/99/448656499.db2.gz QYMPAXNABPGERY-GJZGRUSLSA-N 2 0 349.479 1.478 20 0 EDADRP Cc1nn(C)c2ncc(C[NH+]3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)cc12 ZINC000573445661 448629752 /nfs/dbraw/zinc/62/97/52/448629752.db2.gz PPQBBYGJOMBBQK-SJORKVTESA-N 2 0 329.448 1.605 20 0 EDADRP CC1CCN([C@H](C[NH2+]CCC(=O)NC(N)=O)c2cccs2)CC1 ZINC000573744660 448702448 /nfs/dbraw/zinc/70/24/48/448702448.db2.gz RREHGIMXNYNYDO-CYBMUJFWSA-N 2 0 338.477 1.696 20 0 EDADRP CN(C)c1ncc(C[NH2+][C@@H]2CCCN(c3cccnc3)C2=O)n1C ZINC000579067777 448703465 /nfs/dbraw/zinc/70/34/65/448703465.db2.gz PVYKVABKAWDUKH-OAHLLOKOSA-N 2 0 328.420 1.166 20 0 EDADRP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC(=O)N1CC[NH2+]CC1)CCCO2 ZINC000567638949 448729225 /nfs/dbraw/zinc/72/92/25/448729225.db2.gz ZAOJZXWWJALTHC-OAHLLOKOSA-N 2 0 337.851 1.884 20 0 EDADRP C[NH+]1CCN(c2cc(CNC(=O)[C@@H]3[NH2+]CCCC3(C)C)ccn2)CC1 ZINC000573850706 448729513 /nfs/dbraw/zinc/72/95/13/448729513.db2.gz ZZUMVFIJWWUSCS-KRWDZBQOSA-N 2 0 345.491 1.228 20 0 EDADRP CC(C)NC(=O)CN(C)CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000579504474 448811477 /nfs/dbraw/zinc/81/14/77/448811477.db2.gz QDVLLUZCYJXNSB-UHFFFAOYSA-N 2 0 340.512 1.022 20 0 EDADRP CC[C@](C)(CO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000568192701 448832249 /nfs/dbraw/zinc/83/22/49/448832249.db2.gz RBWANNRNQADYBG-GOSISDBHSA-N 2 0 334.464 1.119 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H](CNC(=O)N2CCC(CO[C@@H]3CC[NH2+]C3)CC2)C1 ZINC000529340445 448832535 /nfs/dbraw/zinc/83/25/35/448832535.db2.gz OBJZCQIRSYNPRC-BRWVUGGUSA-N 2 0 338.496 1.304 20 0 EDADRP C[C@@H]([NH2+]CC(=O)N1CC[NH2+]CC1)c1cccc(Br)c1 ZINC000574307540 448842893 /nfs/dbraw/zinc/84/28/93/448842893.db2.gz FGSHSYYOLMLQNM-LLVKDONJSA-N 2 0 326.238 1.532 20 0 EDADRP CCn1cncc1CNc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000579689355 448852583 /nfs/dbraw/zinc/85/25/83/448852583.db2.gz QVFKZQHVMFFUCO-UHFFFAOYSA-N 2 0 327.432 1.903 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1ccc(OC(C)(C)C)cn1 ZINC000568301463 448852957 /nfs/dbraw/zinc/85/29/57/448852957.db2.gz ICLBAAGTQJDIEL-UHFFFAOYSA-N 2 0 336.480 1.824 20 0 EDADRP CCOCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CC2)[C@H](C)C1 ZINC000574403138 448866568 /nfs/dbraw/zinc/86/65/68/448866568.db2.gz XTAGSTLVRHUVJJ-BPQIPLTHSA-N 2 0 337.508 1.866 20 0 EDADRP C[NH+](C)C1(CNC(=O)N[C@@H](C[NH3+])C2CCCC2)Cc2ccccc2C1 ZINC000579815048 448883036 /nfs/dbraw/zinc/88/30/36/448883036.db2.gz YCVGUWDUHSFZDX-SFHVURJKSA-N 2 0 344.503 1.902 20 0 EDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000592557937 448900843 /nfs/dbraw/zinc/90/08/43/448900843.db2.gz SLYSWZIKGAHVLH-INIZCTEOSA-N 2 0 339.528 1.138 20 0 EDADRP CCOC(=O)CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)CC(C)(C)[NH3+] ZINC000592559051 448901316 /nfs/dbraw/zinc/90/13/16/448901316.db2.gz WNZJCJFFGODMPK-AWEZNQCLSA-N 2 0 327.469 1.380 20 0 EDADRP [NH3+]C[C@@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000568738810 448912619 /nfs/dbraw/zinc/91/26/19/448912619.db2.gz WPQKXXMPTIBMET-AKHDSKFASA-N 2 0 342.487 1.887 20 0 EDADRP CN(C(=O)NC[C@H]1C[NH2+]CCCO1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568738781 448913468 /nfs/dbraw/zinc/91/34/68/448913468.db2.gz TUBZFEVRTBEANP-ZWKOTPCHSA-N 2 0 346.475 1.281 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1)c1ccccc1 ZINC000547787128 448929731 /nfs/dbraw/zinc/92/97/31/448929731.db2.gz GBCVNZYFJAKHEX-WNRNVDISSA-N 2 0 331.460 1.108 20 0 EDADRP CCc1ccc([C@@H]2C[NH2+]CCN2C(=O)COC2CC[NH2+]CC2)cc1 ZINC000574786823 448956954 /nfs/dbraw/zinc/95/69/54/448956954.db2.gz AHLWKXJZSWQHOE-SFHVURJKSA-N 2 0 331.460 1.491 20 0 EDADRP CN(C)[C@@H](CNC[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1Cl ZINC000574804114 448959641 /nfs/dbraw/zinc/95/96/41/448959641.db2.gz XUPNSSNRYSJWIW-PBHICJAKSA-N 2 0 325.884 1.987 20 0 EDADRP O=C(NC[C@@H]1CCC[NH2+]1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000521216067 448962808 /nfs/dbraw/zinc/96/28/08/448962808.db2.gz QYTSUPHZXYVHSQ-SFHVURJKSA-N 2 0 330.476 1.745 20 0 EDADRP Cc1ccc(NC(=O)CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)nc1 ZINC000569110949 448963500 /nfs/dbraw/zinc/96/35/00/448963500.db2.gz KCGVLXAYQDGKQX-IAGOWNOFSA-N 2 0 346.475 1.686 20 0 EDADRP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]CCNc1ccc(-c2ccccc2)nn1 ZINC000581065764 448965182 /nfs/dbraw/zinc/96/51/82/448965182.db2.gz PYIZUCVULSLGIW-WBVHZDCISA-N 2 0 325.460 2.533 20 0 EDADRP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(N2CC[NH2+]CC2)cn1 ZINC000569220494 448982953 /nfs/dbraw/zinc/98/29/53/448982953.db2.gz NQMLLMYDHVFQKO-HNNXBMFYSA-N 2 0 331.464 1.694 20 0 EDADRP COC(=O)C[C@H]([NH3+])C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000574919292 448990956 /nfs/dbraw/zinc/99/09/56/448990956.db2.gz UWJCTCJFLSZBJP-ZBFHGGJFSA-N 2 0 339.480 1.380 20 0 EDADRP C[C@@H](Cc1c[nH]cn1)C(=O)N1CCC(CC[NH+]2CCOCC2)CC1 ZINC000575326857 449078342 /nfs/dbraw/zinc/07/83/42/449078342.db2.gz INWKAWVWKIKSLU-HNNXBMFYSA-N 2 0 334.464 1.549 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000530221530 449086080 /nfs/dbraw/zinc/08/60/80/449086080.db2.gz DXDHUIYHFCZQTD-GOSISDBHSA-N 2 0 328.460 1.707 20 0 EDADRP [NH3+]C[C@@H]1CN(Cc2c[nH]nc2-c2ccc3c(c2)OCO3)CCCO1 ZINC000582229188 449042417 /nfs/dbraw/zinc/04/24/17/449042417.db2.gz QKSKNZJDHSGGSR-CQSZACIVSA-N 2 0 330.388 1.355 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)N[C@@H]2C[NH2+]C[C@H]2c2ccccc2)CC1 ZINC000575156709 449050673 /nfs/dbraw/zinc/05/06/73/449050673.db2.gz QFTDYQOBFMFVAF-ZWKOTPCHSA-N 2 0 330.476 1.914 20 0 EDADRP Cc1cccc(C)c1OCCC[NH2+]C[C@@H](O)CN1CC[NH+](C)CC1 ZINC000569595780 449053770 /nfs/dbraw/zinc/05/37/70/449053770.db2.gz VGPHHZHMIAMESU-GOSISDBHSA-N 2 0 335.492 1.270 20 0 EDADRP O[C@@H]1CCCC[C@@H]1[NH+]1CCC(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)CC1 ZINC000575172898 449053895 /nfs/dbraw/zinc/05/38/95/449053895.db2.gz SNDNNAOHNMKUQP-WJFTUGDTSA-N 2 0 337.508 1.111 20 0 EDADRP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592960420 449084956 /nfs/dbraw/zinc/08/49/56/449084956.db2.gz ZXENJIWQGWQMKC-CABCVRRESA-N 2 0 333.480 1.714 20 0 EDADRP O=C(NCC[NH+]1CCCCC1)[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000522256690 449067955 /nfs/dbraw/zinc/06/79/55/449067955.db2.gz WQRQNLVRTAEJQN-LJQANCHMSA-N 2 0 331.460 1.226 20 0 EDADRP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4COCCN4)[C@@H]3C2)cc1 ZINC000530227630 449088292 /nfs/dbraw/zinc/08/82/92/449088292.db2.gz UJPOSJUHEXPYQS-HAGHYFMRSA-N 2 0 329.488 1.865 20 0 EDADRP c1ncn(-c2ccc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)cc2)n1 ZINC000530247677 449093420 /nfs/dbraw/zinc/09/34/20/449093420.db2.gz BTEKDZFOGFJHQX-IBGZPJMESA-N 2 0 341.459 1.858 20 0 EDADRP CCOC(=O)C1CCN(C(=O)C[C@H](C)[NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000593316297 449224251 /nfs/dbraw/zinc/22/42/51/449224251.db2.gz OTIXJNPRWXFLLP-AWEZNQCLSA-N 2 0 339.480 1.285 20 0 EDADRP CC(C)C[N@@H+]1CCO[C@H](CNC(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000611724111 449396225 /nfs/dbraw/zinc/39/62/25/449396225.db2.gz DEHYXZANUWQYOX-ZACQAIPSSA-N 2 0 338.496 1.269 20 0 EDADRP CC(C)[NH2+][C@@H]1CCCN(C(=O)NCCCC[NH+]2CCN(C)CC2)C1 ZINC000605986388 449435286 /nfs/dbraw/zinc/43/52/86/449435286.db2.gz UFWZPADNEUQLAK-QGZVFWFLSA-N 2 0 339.528 1.186 20 0 EDADRP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000617012628 449431548 /nfs/dbraw/zinc/43/15/48/449431548.db2.gz FDJPEVUTFRGKPY-XLIONFOSSA-N 2 0 345.487 1.612 20 0 EDADRP CC[C@H](C(=O)N1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1)[NH+](CC)CC ZINC000605427047 449382056 /nfs/dbraw/zinc/38/20/56/449382056.db2.gz NZNZNOPNIHIEGR-HZPDHXFCSA-N 2 0 338.496 1.048 20 0 EDADRP CCOC(=O)CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602508015 449639073 /nfs/dbraw/zinc/63/90/73/449639073.db2.gz YSWJBGVPFCQNNG-HZPDHXFCSA-N 2 0 337.464 1.300 20 0 EDADRP C[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CC[C@@H](O)C2)cc1 ZINC000617700681 449747721 /nfs/dbraw/zinc/74/77/21/449747721.db2.gz JOFJYQPXKZTZKC-QZTJIDSGSA-N 2 0 331.460 1.354 20 0 EDADRP O=C(N[C@H]1CC[N@H+](Cc2ccccc2)C1)NC1CC[NH+](CCO)CC1 ZINC000601215200 449754904 /nfs/dbraw/zinc/75/49/04/449754904.db2.gz UFXQZVTXWWQRSX-SFHVURJKSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H](C(=O)N1CCC[N@H+](C[C@@H]2CCCO2)CC1)[NH+]1CCCCCC1 ZINC000608351670 449815008 /nfs/dbraw/zinc/81/50/08/449815008.db2.gz MUBYDPPSAXFIFL-MSOLQXFVSA-N 2 0 337.508 1.964 20 0 EDADRP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000595007307 449840193 /nfs/dbraw/zinc/84/01/93/449840193.db2.gz MJBCNSOZSQAVEU-HNNXBMFYSA-N 2 0 327.513 1.970 20 0 EDADRP COC(=O)CCCC[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000599331974 449899119 /nfs/dbraw/zinc/89/91/19/449899119.db2.gz NVJDSSYRDAWJQR-UHFFFAOYSA-N 2 0 325.497 1.820 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)C[NH+](C)[C@H]2CCSC2)CC1 ZINC000615089361 449951058 /nfs/dbraw/zinc/95/10/58/449951058.db2.gz JBPOCYFPJQYVOZ-ZBFHGGJFSA-N 2 0 341.521 1.135 20 0 EDADRP C[C@@H]1CC[N@H+](CC(=O)NCC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000617975554 449957236 /nfs/dbraw/zinc/95/72/36/449957236.db2.gz XQFMBCSAQFKMCR-MRXNPFEDSA-N 2 0 330.476 1.752 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612966176 449961324 /nfs/dbraw/zinc/96/13/24/449961324.db2.gz NQMVBVGVSMHHOS-DLBZAZTESA-N 2 0 330.476 1.601 20 0 EDADRP CC[NH+]1CCC(N2CCC[N@H+](CCCCC(=O)OC)CC2)CC1 ZINC000599440900 449977291 /nfs/dbraw/zinc/97/72/91/449977291.db2.gz UPANJFWHWZEYIL-UHFFFAOYSA-N 2 0 325.497 1.822 20 0 EDADRP CC[NH+]1CCN([C@@H]2CC[N@H+](C[C@@H]3COc4ccccc4O3)C2)CC1 ZINC000609337926 450013628 /nfs/dbraw/zinc/01/36/28/450013628.db2.gz GOFGPPHXBXMFEG-IAGOWNOFSA-N 2 0 331.460 1.538 20 0 EDADRP COC(=O)[C@H]1CC12CC[NH+](CC(=O)NC1CC[NH+](C3CC3)CC1)CC2 ZINC000609614464 450068350 /nfs/dbraw/zinc/06/83/50/450068350.db2.gz QDRDGPQOEUSKCB-MRXNPFEDSA-N 2 0 349.475 1.005 20 0 EDADRP C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000615262476 450025708 /nfs/dbraw/zinc/02/57/08/450025708.db2.gz GHDIKWHINPCBOO-QRQLOZEOSA-N 2 0 349.519 1.963 20 0 EDADRP C[NH+](C)Cc1ccc(C(=O)N2CCOC[C@@H]2[C@H]2CCC[N@@H+]2C)cn1 ZINC000615268170 450030910 /nfs/dbraw/zinc/03/09/10/450030910.db2.gz UHYDVNYLWHNZJZ-IAGOWNOFSA-N 2 0 332.448 1.078 20 0 EDADRP C[C@H](CNC(=O)N[C@H]1CCC[N@H+](C)C1)[NH+]1CCc2ccccc2C1 ZINC000618553554 450241354 /nfs/dbraw/zinc/24/13/54/450241354.db2.gz JJZRWSTYBAIEIT-QAPCUYQASA-N 2 0 330.476 1.827 20 0 EDADRP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000618987774 450363947 /nfs/dbraw/zinc/36/39/47/450363947.db2.gz UCKYTMBWJUWUIG-MRXNPFEDSA-N 2 0 348.491 1.872 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)c2cccc(CN3CC[NH+](C)CC3)c2)C1 ZINC000619899340 450367162 /nfs/dbraw/zinc/36/71/62/450367162.db2.gz MFEWISKVROHMGV-IBGZPJMESA-N 2 0 344.503 1.648 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1noc2c1COCC2 ZINC000623191820 450441243 /nfs/dbraw/zinc/44/12/43/450441243.db2.gz BMJOHYQCINXWME-UHFFFAOYSA-N 2 0 338.452 1.093 20 0 EDADRP CC[NH+](CC)CC(=O)N[C@@H]1CCCC[C@H]1NC(=O)C[NH+](CC)CC ZINC000616781440 450483643 /nfs/dbraw/zinc/48/36/43/450483643.db2.gz KYZZSDLIBVHJMU-HZPDHXFCSA-N 2 0 340.512 1.214 20 0 EDADRP O=C([C@H]1CCC[NH+]1C1CCCC1)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000620480602 450499847 /nfs/dbraw/zinc/49/98/47/450499847.db2.gz HAQXMTVJQLAUBZ-QZTJIDSGSA-N 2 0 335.492 1.451 20 0 EDADRP CC[NH+](CC)CCCNC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000623394803 450513546 /nfs/dbraw/zinc/51/35/46/450513546.db2.gz SFNLFGSFEFLYIF-UHFFFAOYSA-N 2 0 340.512 1.615 20 0 EDADRP C[NH+](C)[C@H]1CCc2cc(NC(=O)NCC3([NH3+])CCOCC3)ccc21 ZINC000625892692 450530099 /nfs/dbraw/zinc/53/00/99/450530099.db2.gz VJZSUVXGFJGFOO-INIZCTEOSA-N 2 0 332.448 1.865 20 0 EDADRP OC[C@]12CCC[C@H]1C[NH+](CCCC[N@H+]1C[C@@H]3CCC[C@]3(CO)C1)C2 ZINC000626014663 450554443 /nfs/dbraw/zinc/55/44/43/450554443.db2.gz OOORQERTDAMJEI-VNTMZGSJSA-N 2 0 336.520 1.955 20 0 EDADRP COCC[N@@H+]1CC[C@H](NC(=O)N2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000633039993 450637127 /nfs/dbraw/zinc/63/71/27/450637127.db2.gz GBTLKQDXTPZHLQ-INIZCTEOSA-N 2 0 338.496 1.367 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)N[C@H]2CC[N@H+](CCOC)C2)CC1 ZINC000633040682 450638221 /nfs/dbraw/zinc/63/82/21/450638221.db2.gz RJOAHKOMVRKICB-HNNXBMFYSA-N 2 0 326.485 1.223 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000627324692 450649319 /nfs/dbraw/zinc/64/93/19/450649319.db2.gz KBFSZKXVBDNGOU-HRCADAONSA-N 2 0 340.512 1.116 20 0 EDADRP COc1cc([C@@H](C)[NH2+]CCOCCC[NH3+])ccc1S(C)(=O)=O ZINC000629541621 450727634 /nfs/dbraw/zinc/72/76/34/450727634.db2.gz SINGUMJFYZOXLX-GFCCVEGCSA-N 2 0 330.450 1.115 20 0 EDADRP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)C(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000633094825 450679431 /nfs/dbraw/zinc/67/94/31/450679431.db2.gz MEIPTKRNKYHJQU-JKSUJKDBSA-N 2 0 338.496 1.049 20 0 EDADRP C[NH+](C)CCn1c2cc(C(=O)NCC[NH+]3CCCC3)ccc2[nH]c1=O ZINC000635136427 450681328 /nfs/dbraw/zinc/68/13/28/450681328.db2.gz WUILBEKXIKRPRB-UHFFFAOYSA-N 2 0 345.447 1.129 20 0 EDADRP O=C(NCC[N@H+]1CC[C@H](O)C1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000629482523 450707517 /nfs/dbraw/zinc/70/75/17/450707517.db2.gz WHJFCLRLMXLSQW-SFHVURJKSA-N 2 0 346.475 1.017 20 0 EDADRP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)c1ccc(S(N)(=O)=O)cc1 ZINC000624122507 450715592 /nfs/dbraw/zinc/71/55/92/450715592.db2.gz TWWSFVLTLILJAV-KBPBESRZSA-N 2 0 325.478 1.717 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N(Cc1ccco1)C1CC[NH+](C)CC1 ZINC000631707677 450724888 /nfs/dbraw/zinc/72/48/88/450724888.db2.gz XENYXYRXZJGHOB-UHFFFAOYSA-N 2 0 343.493 1.457 20 0 EDADRP COc1ccccc1N1CCC([NH2+]C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000629559227 450736317 /nfs/dbraw/zinc/73/63/17/450736317.db2.gz QPITUHCEMBLMST-QGZVFWFLSA-N 2 0 333.476 1.710 20 0 EDADRP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCOCC[NH3+])c1ccc(Cl)cc1 ZINC000629578288 450746148 /nfs/dbraw/zinc/74/61/48/450746148.db2.gz AOZUDSBVIQHYIZ-STQMWFEESA-N 2 0 327.856 1.813 20 0 EDADRP C[C@H](CNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@]12CCOC2)[NH+](C)C ZINC000635254804 450786671 /nfs/dbraw/zinc/78/66/71/450786671.db2.gz IGODEPWFMCUPSY-IMFGXOCKSA-N 2 0 345.487 1.591 20 0 EDADRP O=S(=O)(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000631804063 450787585 /nfs/dbraw/zinc/78/75/85/450787585.db2.gz VHICGZQNWHPBRG-INIZCTEOSA-N 2 0 329.510 1.362 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621651975 450815328 /nfs/dbraw/zinc/81/53/28/450815328.db2.gz TYSCTRWOXXHPDT-IAGOWNOFSA-N 2 0 325.497 1.726 20 0 EDADRP O=C(NC[C@@H](c1ccco1)[NH+]1CCCC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000624399027 450833465 /nfs/dbraw/zinc/83/34/65/450833465.db2.gz FCNAAJMVEBIULM-HOCLYGCPSA-N 2 0 332.448 1.952 20 0 EDADRP CN1CC[NH+](Cc2ccccc2-c2cnn(CC[NH+](C)C)c2)CC1 ZINC000629735383 450794368 /nfs/dbraw/zinc/79/43/68/450794368.db2.gz ULXRNEQLHBIHEB-UHFFFAOYSA-N 2 0 327.476 1.859 20 0 EDADRP Cn1c2cc(C[NH+]3CCC([C@@H]4C[C@@H]([NH3+])CCO4)CC3)ccc2oc1=O ZINC000631828189 450800919 /nfs/dbraw/zinc/80/09/19/450800919.db2.gz IAZKAHWUJSDYFI-YJBOKZPZSA-N 2 0 345.443 1.850 20 0 EDADRP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(S(=O)(=O)CCC[NH+](C)C)C1 ZINC000631965009 450922973 /nfs/dbraw/zinc/92/29/73/450922973.db2.gz QTQOVQDEKBVGAY-DLBZAZTESA-N 2 0 345.553 1.854 20 0 EDADRP [NH3+]CCN(Cc1ccccc1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000631930989 450889286 /nfs/dbraw/zinc/88/92/86/450889286.db2.gz CYIRPLPOKHEHDQ-UHFFFAOYSA-N 2 0 325.478 1.263 20 0 EDADRP CCN(CC[NH3+])C(=O)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000626854672 450962709 /nfs/dbraw/zinc/96/27/09/450962709.db2.gz UWGPPEYDDNOLQB-UHFFFAOYSA-N 2 0 346.475 1.461 20 0 EDADRP C[NH+](C)CCCS(=O)(=O)N1CC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000632041499 450992985 /nfs/dbraw/zinc/99/29/85/450992985.db2.gz NFLZOIBBELOOMI-KRWDZBQOSA-N 2 0 339.505 1.474 20 0 EDADRP C[NH+](C)CCN(Cc1ccco1)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632090483 451029108 /nfs/dbraw/zinc/02/91/08/451029108.db2.gz HYOZAPRJHMYYLC-UHFFFAOYSA-N 2 0 343.493 1.459 20 0 EDADRP C[C@@H](CNC(=O)NCC1([NH3+])CCOCC1)[N@@H+]1CCc2ccccc2C1 ZINC000626952318 451031400 /nfs/dbraw/zinc/03/14/00/451031400.db2.gz CSKDOXRAZLEUEO-HNNXBMFYSA-N 2 0 346.475 1.240 20 0 EDADRP C[C@H]1C[C@@H](NS(=O)(=O)CCC[NH+](C)C)C[N@@H+]1Cc1ccccc1 ZINC000632095874 451032329 /nfs/dbraw/zinc/03/23/29/451032329.db2.gz LTMMUVKZTFSBDF-DOTOQJQBSA-N 2 0 339.505 1.521 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NCC1([NH3+])CCOCC1)c1ccccc1 ZINC000626977942 451046029 /nfs/dbraw/zinc/04/60/29/451046029.db2.gz HNSNSFWNZCJQSZ-OAHLLOKOSA-N 2 0 348.491 1.923 20 0 EDADRP CC[C@H](C)[N@H+](C)CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000626966463 451039441 /nfs/dbraw/zinc/03/94/41/451039441.db2.gz VPOFINAPMYIKQO-XQQFMLRXSA-N 2 0 338.418 1.885 20 0 EDADRP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000627013221 451078640 /nfs/dbraw/zinc/07/86/40/451078640.db2.gz MYWUYKBCMXHRTL-OWLYRPNTSA-N 2 0 330.476 1.947 20 0 EDADRP C[C@@]1(CNC(=O)NC[C@@H]2COCC[NH2+]2)CCC[N@@H+]1Cc1ccccc1 ZINC000627016638 451082209 /nfs/dbraw/zinc/08/22/09/451082209.db2.gz QYNIIYOQSDKSEN-MJGOQNOKSA-N 2 0 346.475 1.329 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)NC[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000626977959 451047808 /nfs/dbraw/zinc/04/78/08/451047808.db2.gz IAPNJKMFGFNUJE-ZBFHGGJFSA-N 2 0 334.464 1.403 20 0 EDADRP CC[NH2+]CCCNC(=O)N1CCC(CC)([NH+]2CCOCC2)CC1 ZINC000627063334 451107984 /nfs/dbraw/zinc/10/79/84/451107984.db2.gz HMJWZQIJSZNTRA-UHFFFAOYSA-N 2 0 326.485 1.272 20 0 EDADRP C[N@H+](CC(=O)N1CCC(C)([NH+]2CCCC2)CC1)[C@H]1CCSC1 ZINC000633944618 451119125 /nfs/dbraw/zinc/11/91/25/451119125.db2.gz KCYZZBFIYIIYGF-HNNXBMFYSA-N 2 0 325.522 1.901 20 0 EDADRP C[NH+](C)CCN(CC1CCCCC1)C(=O)NCC1([NH3+])CCOCC1 ZINC000627163060 451157706 /nfs/dbraw/zinc/15/77/06/451157706.db2.gz SXPOHSQIKXDMPT-UHFFFAOYSA-N 2 0 340.512 1.648 20 0 EDADRP COc1ccc([C@H](C[NH+](C)C)NC(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000627204789 451185883 /nfs/dbraw/zinc/18/58/83/451185883.db2.gz FRSKVEYEBIDQGV-UNEWFSDZSA-N 2 0 334.464 1.738 20 0 EDADRP O=C(NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)C12CCC[NH+](CCC1)C2 ZINC000635705812 451186396 /nfs/dbraw/zinc/18/63/96/451186396.db2.gz ZRYFTAPKGFAGPR-QZTJIDSGSA-N 2 0 349.519 1.747 20 0 EDADRP C[NH+]1CCC(n2cc(NC(=O)Cc3cn4ccccc4n3)cn2)CC1 ZINC000634087325 451187940 /nfs/dbraw/zinc/18/79/40/451187940.db2.gz NLDJJXXAMZARRF-UHFFFAOYSA-N 2 0 338.415 1.979 20 0 EDADRP CN1CCN(C(=O)NCc2ccnc(-c3ccccc3)c2)[C@@H](C[NH3+])C1 ZINC000627225961 451196110 /nfs/dbraw/zinc/19/61/10/451196110.db2.gz CKUWNNLDNRGVSI-KRWDZBQOSA-N 2 0 339.443 1.533 20 0 EDADRP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1S(=O)(=O)CCC[NH+]1CCCC1 ZINC000632336090 451206668 /nfs/dbraw/zinc/20/66/68/451206668.db2.gz BOEHZMYMWJWDIR-HZPDHXFCSA-N 2 0 329.510 1.361 20 0 EDADRP C[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CC[C@H](O)C1 ZINC000635784353 451237390 /nfs/dbraw/zinc/23/73/90/451237390.db2.gz DVXAEPZCCAGMNH-ROUUACIJSA-N 2 0 331.460 1.354 20 0 EDADRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638085538 451249290 /nfs/dbraw/zinc/24/92/90/451249290.db2.gz MKFZCDZTGLTBKV-CABCVRRESA-N 2 0 331.464 1.662 20 0 EDADRP O=C(N[C@@H](CO)C[NH+]1CCCC1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000640322998 451251911 /nfs/dbraw/zinc/25/19/11/451251911.db2.gz JOGFBHPZQNMDIK-GOSISDBHSA-N 2 0 340.427 1.434 20 0 EDADRP C[NH+](CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1)C1CCCC1 ZINC000638098609 451263785 /nfs/dbraw/zinc/26/37/85/451263785.db2.gz BVAJTTDPZASPDY-GOSISDBHSA-N 2 0 332.492 1.436 20 0 EDADRP COCC[N@H+](C)CCOc1cccc(CNC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638100681 451266505 /nfs/dbraw/zinc/26/65/05/451266505.db2.gz SAFGPGZQHNXKCA-QGZVFWFLSA-N 2 0 347.459 1.307 20 0 EDADRP [NH3+]Cc1ncc(C(=O)NC[C@H]2CCC[N@@H+]2Cc2ccccc2)cn1 ZINC000638117598 451287038 /nfs/dbraw/zinc/28/70/38/451287038.db2.gz MRYFWJBUEXQKPC-MRXNPFEDSA-N 2 0 325.416 1.330 20 0 EDADRP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cnc(C[NH3+])nc1)c1ccccc1 ZINC000638103016 451270686 /nfs/dbraw/zinc/27/06/86/451270686.db2.gz YPWANEVXHFLQPY-CYBMUJFWSA-N 2 0 327.432 1.795 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c1 ZINC000638103815 451271256 /nfs/dbraw/zinc/27/12/56/451271256.db2.gz UUOUVRQNUHFDSE-AEFFLSMTSA-N 2 0 331.460 1.652 20 0 EDADRP [NH3+]C[C@@]1(C(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCOC1 ZINC000638118189 451287287 /nfs/dbraw/zinc/28/72/87/451287287.db2.gz QOROXMICMHJFIF-HKUYNNGSSA-N 2 0 331.460 1.523 20 0 EDADRP COc1cccc([C@@H]([NH3+])C(=O)N2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000638129944 451300585 /nfs/dbraw/zinc/30/05/85/451300585.db2.gz GOZSVULDJIYXQE-CRAIPNDOSA-N 2 0 331.460 1.885 20 0 EDADRP [NH3+][C@@H]1CC=C(C(=O)NCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000638138222 451312351 /nfs/dbraw/zinc/31/23/51/451312351.db2.gz YGLVIAJFPWWQDN-QGZVFWFLSA-N 2 0 328.460 1.362 20 0 EDADRP CC[NH2+][C@@H](C)C(=O)Nc1ccc(N2CC[NH+](C)CC2)cc1OCC ZINC000638138502 451312891 /nfs/dbraw/zinc/31/28/91/451312891.db2.gz CHYXABRMPUAFCR-AWEZNQCLSA-N 2 0 334.464 1.774 20 0 EDADRP C[N@@H+](Cc1ccccc1)C[C@@H](N)C(=O)Nc1ccc(OCC[NH3+])cc1 ZINC000638160993 451329737 /nfs/dbraw/zinc/32/97/37/451329737.db2.gz MWBIKBKEBWYNCB-GOSISDBHSA-N 2 0 342.443 1.422 20 0 EDADRP C[N@@H+]1CCCN(C(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638171401 451334941 /nfs/dbraw/zinc/33/49/41/451334941.db2.gz VNSLYFHVOVZUEE-UHFFFAOYSA-N 2 0 344.503 1.534 20 0 EDADRP C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1 ZINC000638201041 451352507 /nfs/dbraw/zinc/35/25/07/451352507.db2.gz AGDXVURHQCDNBB-TZMCWYRMSA-N 2 0 345.447 1.031 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000638251045 451381973 /nfs/dbraw/zinc/38/19/73/451381973.db2.gz MEFBRPSLJATNBB-SCTDSRPQSA-N 2 0 345.487 1.803 20 0 EDADRP [NH3+]CC[C@H](NC(=O)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000638265494 451387425 /nfs/dbraw/zinc/38/74/25/451387425.db2.gz COSVQEVXXYXNEK-KBPBESRZSA-N 2 0 329.366 1.904 20 0 EDADRP CO[C@H](C[NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)[C@@H]1CCOC1 ZINC000638273088 451392601 /nfs/dbraw/zinc/39/26/01/451392601.db2.gz FGCGAJNYTABFGK-VAMGGRTRSA-N 2 0 347.503 1.616 20 0 EDADRP CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](N)C[NH+](C)Cc1ccccc1 ZINC000638285228 451403179 /nfs/dbraw/zinc/40/31/79/451403179.db2.gz VQYPKQKWROIATR-QZTJIDSGSA-N 2 0 332.492 1.244 20 0 EDADRP COc1cccc(C[C@H]([NH3+])C(=O)N2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000638328437 451436023 /nfs/dbraw/zinc/43/60/23/451436023.db2.gz ISUQVCNOGFSWCC-BPQIPLTHSA-N 2 0 331.460 1.556 20 0 EDADRP C[C@@H]1C[C@H](C)N(C(=O)[C@H](N)C[N@H+](C)Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000638357455 451457601 /nfs/dbraw/zinc/45/76/01/451457601.db2.gz MHQWFNXZONWNHM-MXSMSXNCSA-N 2 0 332.492 1.278 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]C2CCN(CC[NH+](C)C)CC2)[C@]12CCCO2 ZINC000638357789 451459274 /nfs/dbraw/zinc/45/92/74/451459274.db2.gz ZFYCWNPIULQSIU-RCCFBDPRSA-N 2 0 325.497 1.329 20 0 EDADRP CCn1ncnc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000638386553 451479429 /nfs/dbraw/zinc/47/94/29/451479429.db2.gz MMBPFCWUGWGAFO-UHFFFAOYSA-N 2 0 342.491 1.990 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000638402855 451491242 /nfs/dbraw/zinc/49/12/42/451491242.db2.gz DFUVZRPTZROLPY-PXNSSMCTSA-N 2 0 345.487 1.721 20 0 EDADRP COc1cccc([C@H]([NH3+])C(=O)N2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)c1 ZINC000638342167 451446073 /nfs/dbraw/zinc/44/60/73/451446073.db2.gz MKKAIYFMJOWFNT-NJAFHUGGSA-N 2 0 347.459 1.440 20 0 EDADRP C[C@@H]1C[C@@H](C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)O1 ZINC000630865060 451446938 /nfs/dbraw/zinc/44/69/38/451446938.db2.gz APFAPTLMKFHZBC-JFIYKMOQSA-N 2 0 346.475 1.523 20 0 EDADRP OCC[N@@H+]1CCCC[C@@H]1CNC[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000634721008 451501458 /nfs/dbraw/zinc/50/14/58/451501458.db2.gz SJZPVOJYPKUVHB-UXHICEINSA-N 2 0 347.503 1.060 20 0 EDADRP Cn1cc(CCC[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000638459526 451525827 /nfs/dbraw/zinc/52/58/27/451525827.db2.gz CLIQBIIVCZZQTQ-UHFFFAOYSA-N 2 0 342.491 1.550 20 0 EDADRP C[C@H](CNC(=O)C[N@H+](C)CCc1ccccc1)N1C[C@@H](C)O[C@@H](C)C1 ZINC000636139962 451541448 /nfs/dbraw/zinc/54/14/48/451541448.db2.gz RNHICXCOTLKBIZ-KURKYZTESA-N 2 0 347.503 1.775 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634780505 451542540 /nfs/dbraw/zinc/54/25/40/451542540.db2.gz JZZFRKOZOIZLDJ-YSHGAJCASA-N 2 0 343.471 1.344 20 0 EDADRP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]Cc2cccc(F)c2N)c1 ZINC000638513441 451552778 /nfs/dbraw/zinc/55/27/78/451552778.db2.gz LQSXUANODVZDOX-UHFFFAOYSA-N 2 0 344.434 1.989 20 0 EDADRP COc1ccccc1N1CCC([NH2+]C[C@H]2CN(C)CCN2C)CC1 ZINC000631068797 451566593 /nfs/dbraw/zinc/56/65/93/451566593.db2.gz HYUVYCGTQWHVNG-KRWDZBQOSA-N 2 0 332.492 1.499 20 0 EDADRP [NH3+]C1(CNC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCOCC1 ZINC000638540162 451568243 /nfs/dbraw/zinc/56/82/43/451568243.db2.gz ZUFALFLEUZPIEY-KRWDZBQOSA-N 2 0 331.460 1.523 20 0 EDADRP C[C@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)CN1CC[NH+](C)CC1 ZINC000638550786 451572635 /nfs/dbraw/zinc/57/26/35/451572635.db2.gz JBAWZPDMCZCQJD-RTBURBONSA-N 2 0 330.520 1.986 20 0 EDADRP [NH3+]C[C@@H]1CN(C(=O)COC2CCC([NH3+])CC2)CC[C@@H]1C(F)(F)F ZINC000638553930 451573983 /nfs/dbraw/zinc/57/39/83/451573983.db2.gz CNEXVVQIHDMTCA-XVSSEFHLSA-N 2 0 337.386 1.259 20 0 EDADRP Cn1nc2c(c1C[NH2+]C(C)(C)CCN1CC[NH+](C)CC1)CCCC2 ZINC000631114456 451591372 /nfs/dbraw/zinc/59/13/72/451591372.db2.gz VVIXJHIHGUJSDD-UHFFFAOYSA-N 2 0 333.524 1.805 20 0 EDADRP C[NH2+]CCOCCN(C)C(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000638591254 451594093 /nfs/dbraw/zinc/59/40/93/451594093.db2.gz FRCFRKLAJFHLAY-SFHVURJKSA-N 2 0 333.476 1.593 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)Nc2cnn(C3CC[NH+](C)CC3)c2)C[N@@H+]1C1CC1 ZINC000636907001 451597109 /nfs/dbraw/zinc/59/71/09/451597109.db2.gz HJBUIHMDFZYLJZ-ZIAGYGMSSA-N 2 0 346.479 1.897 20 0 EDADRP CC1([NH+]2CCOCC2)CCN(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000638604074 451601524 /nfs/dbraw/zinc/60/15/24/451601524.db2.gz YAUBISVBPOJIDQ-SFHVURJKSA-N 2 0 343.471 1.414 20 0 EDADRP CC(C)(C[NH+]1CCOCC1)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000636252653 451622999 /nfs/dbraw/zinc/62/29/99/451622999.db2.gz CCJBFRAKDQLZQP-KRWDZBQOSA-N 2 0 337.508 1.868 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCN(C(N)=O)CC1 ZINC000631195529 451636279 /nfs/dbraw/zinc/63/62/79/451636279.db2.gz HSVTVJHIYSGKIQ-NVXWUHKLSA-N 2 0 330.476 1.887 20 0 EDADRP CC(C)(O)C[NH+]1CCC(NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000638669931 451642027 /nfs/dbraw/zinc/64/20/27/451642027.db2.gz YDZZGHVYCDSHKE-INIZCTEOSA-N 2 0 339.524 1.312 20 0 EDADRP [NH3+]CC(=O)N1CCC[C@@H](C[NH+]2CCC(Oc3ccccc3F)CC2)C1 ZINC000634999034 451642170 /nfs/dbraw/zinc/64/21/70/451642170.db2.gz PBGIQCINGWMDNU-HNNXBMFYSA-N 2 0 349.450 1.866 20 0 EDADRP C[NH+](C)CCn1cc(C(=O)NCCCCC[NH+]2CCCCC2)cn1 ZINC000631228434 451650060 /nfs/dbraw/zinc/65/00/60/451650060.db2.gz WJCXNZZJOQPNAD-UHFFFAOYSA-N 2 0 335.496 1.831 20 0 EDADRP Cc1ccc(NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OCC[NH+](C)C)c1 ZINC000632934385 451659337 /nfs/dbraw/zinc/65/93/37/451659337.db2.gz RMBCEHUSMUAZCB-GASCZTMLSA-N 2 0 332.448 1.904 20 0 EDADRP CCC1([NH+](C)C)CCN(C(=O)C(C)(C)C[NH+]2CCOCC2)CC1 ZINC000636315586 451676411 /nfs/dbraw/zinc/67/64/11/451676411.db2.gz UTHVKTOEZUQNFW-UHFFFAOYSA-N 2 0 325.497 1.678 20 0 EDADRP C[NH+](C)CCOc1cc(C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccn1 ZINC000637028986 451687547 /nfs/dbraw/zinc/68/75/47/451687547.db2.gz PHRAPUDDELUUBS-IAGOWNOFSA-N 2 0 346.475 1.578 20 0 EDADRP C[C@H](NC(=O)NCC[N@@H+]1CC[C@@H](O)C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000637032464 451689193 /nfs/dbraw/zinc/68/91/93/451689193.db2.gz AYOPMUVLEYGUNA-YQQAZPJKSA-N 2 0 338.496 1.005 20 0 EDADRP CCC1([NH+]2CCCC2)CCN(C(=O)c2cc([C@@H]3CC[NH2+]C3)n[nH]2)CC1 ZINC000638861797 451713557 /nfs/dbraw/zinc/71/35/57/451713557.db2.gz GERZWZCCGJWARS-OAHLLOKOSA-N 2 0 345.491 1.967 20 0 EDADRP CCO[C@@H]1C[C@@]([NH3+])(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1(C)C ZINC000638876541 451716464 /nfs/dbraw/zinc/71/64/64/451716464.db2.gz JISFQJOJLDNLBK-FRQCXROJSA-N 2 0 333.476 1.595 20 0 EDADRP CC(C)[NH+]1CCC(NC(=O)Cn2cc([C@@H]([NH3+])C(C)(C)C)nn2)CC1 ZINC000641046769 451741317 /nfs/dbraw/zinc/74/13/17/451741317.db2.gz DYCNNFRYYUAUNN-MRXNPFEDSA-N 2 0 336.484 1.313 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCc2ncncc2C1 ZINC000638986216 451746874 /nfs/dbraw/zinc/74/68/74/451746874.db2.gz WXVQSYAPJTWHRV-CYBMUJFWSA-N 2 0 338.415 1.025 20 0 EDADRP O=C(Nc1cc(N2CC[NH2+]CC2)cc[nH+]1)[C@@H]1CCCc2n[nH]cc21 ZINC000638986468 451747445 /nfs/dbraw/zinc/74/74/45/451747445.db2.gz PIVAUUQEQKYNBZ-CYBMUJFWSA-N 2 0 326.404 1.273 20 0 EDADRP COC[C@]1(C(=O)N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)CCCC[NH2+]1 ZINC000639001405 451750371 /nfs/dbraw/zinc/75/03/71/451750371.db2.gz KXLNYZCRVGCVKJ-ICSRJNTNSA-N 2 0 345.487 1.844 20 0 EDADRP [NH3+]C[C@H]1Cc2ccccc2N(C(=O)c2cnn([C@H]3CCC[NH2+]C3)c2)C1 ZINC000639020509 451753095 /nfs/dbraw/zinc/75/30/95/451753095.db2.gz AKHZFHGYKVXZIP-PBHICJAKSA-N 2 0 339.443 1.585 20 0 EDADRP CC[NH+]1CCN(CCC(=O)N2CC[C@H](C[NH3+])c3ccccc32)CC1 ZINC000639066920 451760752 /nfs/dbraw/zinc/76/07/52/451760752.db2.gz FYEUFHWDLJXXNL-MRXNPFEDSA-N 2 0 330.476 1.493 20 0 EDADRP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(=O)NCC[NH+]1CCCCCC1 ZINC000639206173 451791560 /nfs/dbraw/zinc/79/15/60/451791560.db2.gz NLXPJLIGPOPVGP-JKSUJKDBSA-N 2 0 338.496 1.016 20 0 EDADRP Cc1cccc2c1C[C@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000637359154 451799070 /nfs/dbraw/zinc/79/90/70/451799070.db2.gz VBJGBKMCMHKFOX-INIZCTEOSA-N 2 0 348.491 1.433 20 0 EDADRP Cc1cccc2c1C[C@@H](NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)CO2 ZINC000637359155 451799103 /nfs/dbraw/zinc/79/91/03/451799103.db2.gz VBJGBKMCMHKFOX-MRXNPFEDSA-N 2 0 348.491 1.433 20 0 EDADRP C[NH+]1CCC(C[NH2+]CC2CCSCC2)(N2CCOCC2)CC1 ZINC000639261594 451800234 /nfs/dbraw/zinc/80/02/34/451800234.db2.gz OYMBDIOQFDXWPT-UHFFFAOYSA-N 2 0 327.538 1.516 20 0 EDADRP C[NH+]1CCC(N2CC[C@H]([NH2+]C[C@@H](O)Cc3ccc(F)cc3)C2)CC1 ZINC000644561603 451861467 /nfs/dbraw/zinc/86/14/67/451861467.db2.gz CHGMUDJGKGTHDM-HKUYNNGSSA-N 2 0 335.467 1.487 20 0 EDADRP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000644562014 451863418 /nfs/dbraw/zinc/86/34/18/451863418.db2.gz NZXAFSVMUQNVFT-IMFGXOCKSA-N 2 0 331.504 1.909 20 0 EDADRP c1ccc(C(CN2C[C@H]3C[NH2+]C[C@H]3C2)C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000639457489 451878096 /nfs/dbraw/zinc/87/80/96/451878096.db2.gz UBJRSQYOANKRPE-FGYAAKKASA-N 3 0 340.515 1.073 20 0 EDADRP CC[NH+](CC)[C@@H](CNC(=O)C(=O)NC[C@@H]1CCCC[NH2+]1)CC(C)C ZINC000642531668 451887132 /nfs/dbraw/zinc/88/71/32/451887132.db2.gz ZEZOCWOGYMVEIZ-JKSUJKDBSA-N 2 0 340.512 1.117 20 0 EDADRP CC(C)(O)C[NH+]1CCN(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000637473414 451891611 /nfs/dbraw/zinc/89/16/11/451891611.db2.gz DMBIVSYHJITLLG-MRXNPFEDSA-N 2 0 338.496 1.101 20 0 EDADRP O[C@@H](C[NH2+]C1CC[NH+](C2CCC2)CC1)COc1ccc2c(c1)OCO2 ZINC000644663804 451925156 /nfs/dbraw/zinc/92/51/56/451925156.db2.gz RLCJYIZLWQPXLQ-INIZCTEOSA-N 2 0 348.443 1.762 20 0 EDADRP O[C@]1(C[N@@H+]2CC[C@@H]([C@H]3CCOC3)C2)CCN(Cc2ccccc2)C1 ZINC000639545316 451936650 /nfs/dbraw/zinc/93/66/50/451936650.db2.gz UUXRTAJQECALGT-AABGKKOBSA-N 2 0 330.472 1.982 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NCC(=O)Nc2ccccn2)[C@@H](C)C1 ZINC000639588601 451958569 /nfs/dbraw/zinc/95/85/69/451958569.db2.gz DQKNDMGOOCLQJN-JKSUJKDBSA-N 2 0 334.464 1.747 20 0 EDADRP CC(=O)N1CC[C@@]([NH3+])(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000649288762 451964291 /nfs/dbraw/zinc/96/42/91/451964291.db2.gz IIKLXLILYVYUPP-IBGZPJMESA-N 2 0 346.475 1.093 20 0 EDADRP [NH3+][C@@H](C(=O)NCCC[NH+]1CCC(O)CC1)c1cccc(Cl)c1 ZINC000649293206 451969591 /nfs/dbraw/zinc/96/95/91/451969591.db2.gz FYKGEBOGKSKLBN-OAHLLOKOSA-N 2 0 325.840 1.303 20 0 EDADRP C[C@@H]1CCC[C@](CNC(=O)c2cn([C@H]3CC[NH2+]C3)nn2)([NH+](C)C)C1 ZINC000649304892 451981401 /nfs/dbraw/zinc/98/14/01/451981401.db2.gz LRZCUAHPTCKPPR-KEYYUXOJSA-N 2 0 334.468 1.053 20 0 EDADRP O=C(Nc1cccc(C[NH+]2CCSCC2)c1)[C@@H]1C[NH2+]CCOC1 ZINC000649312964 451990953 /nfs/dbraw/zinc/99/09/53/451990953.db2.gz PRGRPNHBNGWXAI-OAHLLOKOSA-N 2 0 335.473 1.410 20 0 EDADRP Cc1ncc(CNC(=O)CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000639659824 452004856 /nfs/dbraw/zinc/00/48/56/452004856.db2.gz POASMWLBGINARL-QGZVFWFLSA-N 2 0 336.505 1.876 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)C2([NH3+])Cc3ccccc3C2)CC1 ZINC000649328334 452008096 /nfs/dbraw/zinc/00/80/96/452008096.db2.gz PGTCFNLYONIDFY-UHFFFAOYSA-N 2 0 345.487 1.488 20 0 EDADRP C[NH+](C)C[C@H]1CN(C(=O)c2ccnc(C[NH3+])c2)c2ccccc2O1 ZINC000649347014 452030710 /nfs/dbraw/zinc/03/07/10/452030710.db2.gz AQSLWWKTAYSDMG-HNNXBMFYSA-N 2 0 326.400 1.510 20 0 EDADRP C[NH+]1CCN(C[C@H](NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c2ccccc2)CC1 ZINC000649350576 452033364 /nfs/dbraw/zinc/03/33/64/452033364.db2.gz PTFCEUYGMPSNRB-QRVBRYPASA-N 2 0 344.503 1.466 20 0 EDADRP CN1CC[NH+](CCCCNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000649351058 452034769 /nfs/dbraw/zinc/03/47/69/452034769.db2.gz HQLGOTDEUZFTQJ-MRXNPFEDSA-N 2 0 338.883 1.484 20 0 EDADRP Cc1cccc(N2CC[NH+](CCCNC(=O)[C@H]3[C@@H]4C[NH2+]C[C@@H]43)CC2)c1 ZINC000649351263 452035387 /nfs/dbraw/zinc/03/53/87/452035387.db2.gz CMLHEWNPMIWBMP-BWTSREIZSA-N 2 0 342.487 1.089 20 0 EDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)[C@@H]3[NH2+]CCc4ccccc43)CC2)C1 ZINC000649352707 452036621 /nfs/dbraw/zinc/03/66/21/452036621.db2.gz GJCKUDKGPVEVBX-IEBWSBKVSA-N 2 0 342.487 1.112 20 0 EDADRP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)NC[C@@](C)(O)C[NH+](C)C)C2)cc1 ZINC000637721334 452046561 /nfs/dbraw/zinc/04/65/61/452046561.db2.gz ZRRCTQMPQVPZAW-IEBWSBKVSA-N 2 0 348.491 1.181 20 0 EDADRP CC[N@H+](C)C[C@H](O)CN[C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000653682032 452075416 /nfs/dbraw/zinc/07/54/16/452075416.db2.gz RRKVGYGAOKNMHK-IKGGRYGDSA-N 2 0 325.884 1.987 20 0 EDADRP C[NH+](C)CCCNC(=O)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000643216546 452076328 /nfs/dbraw/zinc/07/63/28/452076328.db2.gz BMSIFCGYVYKIRV-UHFFFAOYSA-N 2 0 332.492 1.944 20 0 EDADRP Cc1ncsc1CC[N@@H+]1CC[C@H]2[C@H](C1)NC(=O)N2C1CC[NH2+]CC1 ZINC000649420731 452082879 /nfs/dbraw/zinc/08/28/79/452082879.db2.gz DWNBEQWZBNVTKQ-GJZGRUSLSA-N 2 0 349.504 1.214 20 0 EDADRP C[N@@H+]1CCN(CC(=O)NC2CC[NH+](C3CC3)CC2)C[C@@H]1C(C)(C)C ZINC000639748318 452089661 /nfs/dbraw/zinc/08/96/61/452089661.db2.gz MPKFDUIEYCIUIO-QGZVFWFLSA-N 2 0 336.524 1.392 20 0 EDADRP [NH3+][C@@H]1CCN(C(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]23CCOC3)C1 ZINC000637801099 452090982 /nfs/dbraw/zinc/09/09/82/452090982.db2.gz IBXVWDSMFUXGIP-ZIFCJYIRSA-N 2 0 329.444 1.085 20 0 EDADRP CC[NH2+]CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)C[C@]12CCOC2 ZINC000637827064 452103509 /nfs/dbraw/zinc/10/35/09/452103509.db2.gz MYODZOJDUAOHFS-MJGOQNOKSA-N 2 0 331.460 1.251 20 0 EDADRP C[NH+](C)C[C@@]1(O)CCC[N@H+](C[C@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769398 452111489 /nfs/dbraw/zinc/11/14/89/452111489.db2.gz YHRXITBDHXEVEC-XLIONFOSSA-N 2 0 345.487 1.537 20 0 EDADRP C[NH+](C)C[C@]1(O)CCC[N@H+](C[C@@H]2CCN(C(=O)c3ccccc3)C2)C1 ZINC000639769395 452111536 /nfs/dbraw/zinc/11/15/36/452111536.db2.gz YHRXITBDHXEVEC-FXAWDEMLSA-N 2 0 345.487 1.537 20 0 EDADRP CC[NH2+]CC1CCN(C(=O)[C@@H](N)C[N@H+](C)Cc2ccccc2)CC1 ZINC000637860671 452118644 /nfs/dbraw/zinc/11/86/44/452118644.db2.gz CAUWJVAXBINFOG-SFHVURJKSA-N 2 0 332.492 1.294 20 0 EDADRP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC[C@@H]1CCOC1 ZINC000643464427 452234598 /nfs/dbraw/zinc/23/45/98/452234598.db2.gz WJHOSEYJXAFDHW-SZVBFZGTSA-N 2 0 332.444 1.885 20 0 EDADRP C[NH+]1CCN(Cc2ccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)cc2)CC1 ZINC000655449977 452246856 /nfs/dbraw/zinc/24/68/56/452246856.db2.gz YAELYFLJFXISFE-ICSRJNTNSA-N 2 0 342.487 1.762 20 0 EDADRP C[C@@H](CO)C1CC[NH+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000649798535 452261922 /nfs/dbraw/zinc/26/19/22/452261922.db2.gz BPWMMIOVXGPUOR-QFBILLFUSA-N 2 0 347.503 1.746 20 0 EDADRP C[C@@H]([NH2+][C@@H]1CCCN(CCN2CCOCC2)C1)C1CC[NH+](C)CC1 ZINC000641787800 452264295 /nfs/dbraw/zinc/26/42/95/452264295.db2.gz PXSJGQUOHPDXDV-IEBWSBKVSA-N 2 0 338.540 1.103 20 0 EDADRP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@H]1n1cccn1 ZINC000657477324 452272398 /nfs/dbraw/zinc/27/23/98/452272398.db2.gz ZDHUYHGCKAGLNK-RCCFBDPRSA-N 2 0 338.415 1.972 20 0 EDADRP C[C@@H]1CN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)CCO1 ZINC000647548510 452277205 /nfs/dbraw/zinc/27/72/05/452277205.db2.gz FFCRJZANAUMGPE-BZZMCLGOSA-N 2 0 330.476 1.784 20 0 EDADRP O=C(N1CC[NH2+]CC1)N1CCN(C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000641819013 452299357 /nfs/dbraw/zinc/29/93/57/452299357.db2.gz FVOGOESHYGEGJH-INIZCTEOSA-N 2 0 336.480 1.121 20 0 EDADRP C[C@@H]1C[C@@H](NC(=O)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC[N@@H+]1C ZINC000659460819 452314539 /nfs/dbraw/zinc/31/45/39/452314539.db2.gz UIMQOPLBIONPBC-BZZMCLGOSA-N 2 0 330.476 1.914 20 0 EDADRP C[NH+]1CCC(NC(=O)CC2([NH3+])CCN(Cc3ccccc3)CC2)CC1 ZINC000638050097 452321353 /nfs/dbraw/zinc/32/13/53/452321353.db2.gz KCUICFWYWNNKOV-UHFFFAOYSA-N 2 0 344.503 1.580 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)C[C@H]1C[NH3+] ZINC000652129060 452325644 /nfs/dbraw/zinc/32/56/44/452325644.db2.gz UIFMWBKHOVFKKM-GVDBMIGSSA-N 2 0 340.512 1.504 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000657574318 452342864 /nfs/dbraw/zinc/34/28/64/452342864.db2.gz WDOHNWZYWAHLNN-INIZCTEOSA-N 2 0 334.512 1.438 20 0 EDADRP CC[NH+](CC)Cc1ccc(NC(=O)C(=O)N[C@@]2(C)CC[NH2+]C2)cc1 ZINC000663613206 452345391 /nfs/dbraw/zinc/34/53/91/452345391.db2.gz XNIYOYZNXNNNIS-SFHVURJKSA-N 2 0 332.448 1.335 20 0 EDADRP C[NH+](C)C1(CNC(=O)NCCC2(C[NH3+])CC2)Cc2ccccc2C1 ZINC000652157781 452350664 /nfs/dbraw/zinc/35/06/64/452350664.db2.gz LCDACTWFVBJXIP-UHFFFAOYSA-N 2 0 330.476 1.514 20 0 EDADRP COc1cccc(C[C@@H]([NH3+])C(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)c1 ZINC000638059669 452351837 /nfs/dbraw/zinc/35/18/37/452351837.db2.gz VESZUSBIHBXMEO-ZWKOTPCHSA-N 2 0 349.475 1.038 20 0 EDADRP C[NH2+]C[C@H](C)NC(=O)NCc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000659491965 452352892 /nfs/dbraw/zinc/35/28/92/452352892.db2.gz GYPJNFGGWFTMAB-AWEZNQCLSA-N 2 0 334.464 1.567 20 0 EDADRP Cc1ccccc1C[N@@H+]1CCCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638063543 452360873 /nfs/dbraw/zinc/36/08/73/452360873.db2.gz VLFASDSTODBZRJ-HXUWFJFHSA-N 2 0 345.487 1.785 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)[C@]2(C[NH3+])CCCOC2)c1 ZINC000638063677 452361430 /nfs/dbraw/zinc/36/14/30/452361430.db2.gz GBUDNASKAHCBQA-IBGZPJMESA-N 2 0 333.476 1.900 20 0 EDADRP CC1CC[NH+](Cc2ccc(CNC(=O)CN3CC[NH2+]CC3)cc2)CC1 ZINC000638063345 452361478 /nfs/dbraw/zinc/36/14/78/452361478.db2.gz LUDJBABPOQNCSI-UHFFFAOYSA-N 2 0 344.503 1.440 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)cc2)C1 ZINC000657594434 452361449 /nfs/dbraw/zinc/36/14/49/452361449.db2.gz AJIBAIRGLHSCPH-SLFFLAALSA-N 3 0 329.488 1.970 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)C2=CC[C@@H]([NH3+])C2)c1 ZINC000638064238 452365060 /nfs/dbraw/zinc/36/50/60/452365060.db2.gz JTYDTMYRHBCVQR-MRXNPFEDSA-N 2 0 344.459 1.744 20 0 EDADRP C[C@H](CNC(=O)NCCN(C)CCC[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000663628329 452367688 /nfs/dbraw/zinc/36/76/88/452367688.db2.gz MJRXNNLRKGUFNG-DLBZAZTESA-N 2 0 341.544 1.290 20 0 EDADRP [NH3+]C[C@@H](NC(=O)NCC1CC[NH+](Cc2ccncc2)CC1)C1CC1 ZINC000659518420 452381839 /nfs/dbraw/zinc/38/18/39/452381839.db2.gz IDDWTBMOJISSFL-QGZVFWFLSA-N 2 0 331.464 1.330 20 0 EDADRP CCO[C@@H]1CN(C(=O)NCCCCC[NH+]2CCCC2)C[C@H]1C[NH3+] ZINC000652195362 452392002 /nfs/dbraw/zinc/39/20/02/452392002.db2.gz QJMQSSQEKLCCAQ-HZPDHXFCSA-N 2 0 326.485 1.258 20 0 EDADRP C[C@@H]1CC[NH2+]C[C@H]1NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659536834 452395819 /nfs/dbraw/zinc/39/58/19/452395819.db2.gz ORPIYBOJAYHBLO-BASLNEPJSA-N 2 0 334.439 1.568 20 0 EDADRP [NH3+]C[C@@H]1CCCC[C@@H]1NC(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652207546 452402501 /nfs/dbraw/zinc/40/25/01/452402501.db2.gz NJMJDJZKTRWDOU-KSWRQPAISA-N 2 0 338.496 1.432 20 0 EDADRP CN(C(=O)NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000659572004 452427869 /nfs/dbraw/zinc/42/78/69/452427869.db2.gz CVZMLDIZLYPNAM-MRXNPFEDSA-N 2 0 337.512 1.068 20 0 EDADRP C[NH2+]C[C@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1 ZINC000659580713 452435699 /nfs/dbraw/zinc/43/56/99/452435699.db2.gz DAQSITQMWSIRPI-BRWVUGGUSA-N 2 0 334.439 1.665 20 0 EDADRP C[NH2+]C[C@@H]1CCCN1C(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000659587413 452443862 /nfs/dbraw/zinc/44/38/62/452443862.db2.gz CFQXPKRJGCWEJQ-CGTJXYLNSA-N 2 0 346.475 1.534 20 0 EDADRP C[NH+](C)CCn1nccc1NC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640170436 452484076 /nfs/dbraw/zinc/48/40/76/452484076.db2.gz BVWUJPVZWSHJCN-UHFFFAOYSA-N 2 0 348.495 1.927 20 0 EDADRP C[NH+](C)CCN1CCC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC1 ZINC000655687408 452509850 /nfs/dbraw/zinc/50/98/50/452509850.db2.gz OAVUYTPNIXSZSP-LJQANCHMSA-N 2 0 338.540 1.245 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000654452773 452516335 /nfs/dbraw/zinc/51/63/35/452516335.db2.gz WILNDLOWUQAWDP-DLBZAZTESA-N 2 0 338.496 1.103 20 0 EDADRP CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCO[C@@H](CCC[NH+](C)C)C2)C1 ZINC000663788923 452518881 /nfs/dbraw/zinc/51/88/81/452518881.db2.gz UFHJJCMOTUDODX-IRXDYDNUSA-N 2 0 340.512 1.471 20 0 EDADRP O=S(=O)(CCC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)Cc1ccccc1 ZINC000647786193 452520402 /nfs/dbraw/zinc/52/04/02/452520402.db2.gz KAPRQPVLOZMBMQ-RCCFBDPRSA-N 2 0 336.501 1.969 20 0 EDADRP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)CC1 ZINC000647789748 452522751 /nfs/dbraw/zinc/52/27/51/452522751.db2.gz KMBXPXWUNLJCQJ-IPMKNSEASA-N 3 0 343.519 1.701 20 0 EDADRP CC(C)CS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000647792267 452524994 /nfs/dbraw/zinc/52/49/94/452524994.db2.gz XSZPWIWBMDDNPB-HLLBOEOZSA-N 2 0 343.537 1.414 20 0 EDADRP COCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708616 452525981 /nfs/dbraw/zinc/52/59/81/452525981.db2.gz RFBRTABPEYIWPA-ROUUACIJSA-N 2 0 325.497 1.330 20 0 EDADRP COc1ccccc1N1CC[C@@H]([N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)C1=O ZINC000652352150 452528629 /nfs/dbraw/zinc/52/86/29/452528629.db2.gz LWYQHARPZAYNIM-GMBSWORKSA-N 2 0 329.444 1.861 20 0 EDADRP O=c1ccc(Br)cn1CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647798686 452530616 /nfs/dbraw/zinc/53/06/16/452530616.db2.gz VMWMPEMLFQDONF-MBNYWOFBSA-N 2 0 340.265 1.589 20 0 EDADRP CS(=O)(=O)c1ccc(OCCC[NH+]2CCC(CC[NH3+])CC2)cc1 ZINC000652359510 452539238 /nfs/dbraw/zinc/53/92/38/452539238.db2.gz LVTWYUPUQNQAJX-UHFFFAOYSA-N 2 0 340.489 1.920 20 0 EDADRP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652361644 452542473 /nfs/dbraw/zinc/54/24/73/452542473.db2.gz LMJPEWSSGDDWDW-ZNMIVQPWSA-N 2 0 336.436 1.094 20 0 EDADRP Cc1ccc(C[NH+]2CCCN(C(=O)C[N@H+]3CC[C@@H](O)[C@H]3C)CC2)cc1 ZINC000650187933 452582643 /nfs/dbraw/zinc/58/26/43/452582643.db2.gz NGOIOIQGKXYESK-IEBWSBKVSA-N 2 0 345.487 1.484 20 0 EDADRP CO[C@](C)(CO)C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000655807017 452590891 /nfs/dbraw/zinc/59/08/91/452590891.db2.gz IAIXPDJPEKQUEN-KRWDZBQOSA-N 2 0 341.883 1.579 20 0 EDADRP CN(CC(C)(C)[NH3+])C(=O)C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000659703963 452592510 /nfs/dbraw/zinc/59/25/10/452592510.db2.gz GHMJHBXNOMOJCR-UHFFFAOYSA-N 2 0 338.496 1.095 20 0 EDADRP [NH3+]C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccc2)CC1)C(F)(F)F ZINC000655913228 452672542 /nfs/dbraw/zinc/67/25/42/452672542.db2.gz SRFKKKHMJLBECH-AWEZNQCLSA-N 2 0 344.381 1.794 20 0 EDADRP CC[C@@H]1CN(CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000647934456 452676646 /nfs/dbraw/zinc/67/66/46/452676646.db2.gz GFXSNYMLWUJZOH-NJAFHUGGSA-N 2 0 332.492 1.465 20 0 EDADRP C[C@@H](CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1)[N@H+](C)C1CC1 ZINC000663998028 452699834 /nfs/dbraw/zinc/69/98/34/452699834.db2.gz IFXFUAGLJLRWHU-HOCLYGCPSA-N 2 0 326.485 1.221 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)C1 ZINC000661954084 452716204 /nfs/dbraw/zinc/71/62/04/452716204.db2.gz UHKMBWWUGNQICI-YESZJQIVSA-N 2 0 338.496 1.148 20 0 EDADRP CC[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664077952 452773229 /nfs/dbraw/zinc/77/32/29/452773229.db2.gz VNKVTCDPGHGBBR-SJORKVTESA-N 2 0 340.512 1.613 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000654671335 452786585 /nfs/dbraw/zinc/78/65/85/452786585.db2.gz JYKCHADNKYVSNG-QGZVFWFLSA-N 2 0 341.459 1.905 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1CCC2(COC2)C1 ZINC000662074165 452820407 /nfs/dbraw/zinc/82/04/07/452820407.db2.gz PPBJCJQBZVXJEW-AEFFLSMTSA-N 2 0 343.471 1.488 20 0 EDADRP C[NH+](C)CCC[C@H]1CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)CCO1 ZINC000664181816 452849403 /nfs/dbraw/zinc/84/94/03/452849403.db2.gz MIPWWTWXMDWMHC-SJORKVTESA-N 2 0 338.496 1.223 20 0 EDADRP CN(CCC[NH+](C)C)CCNc1ccc2nnc(C(C)(C)C)n2n1 ZINC000664247988 452927628 /nfs/dbraw/zinc/92/76/28/452927628.db2.gz LMFJUXNNGSFPRV-UHFFFAOYSA-N 2 0 333.484 1.717 20 0 EDADRP O=c1[nH]c2ccccc2n1C1CC[NH+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC1 ZINC000662248851 452973142 /nfs/dbraw/zinc/97/31/42/452973142.db2.gz LAGYVLWJEHBFJO-HNNXBMFYSA-N 2 0 342.443 1.900 20 0 EDADRP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000650758813 452976157 /nfs/dbraw/zinc/97/61/57/452976157.db2.gz XZFUZRYRVNYYCS-ZDUSSCGKSA-N 2 0 333.457 1.904 20 0 EDADRP CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC2CC[NH2+]CC2)cc1 ZINC000650763675 452977183 /nfs/dbraw/zinc/97/71/83/452977183.db2.gz GXVYXZUOYQVDBC-CYBMUJFWSA-N 2 0 325.478 1.635 20 0 EDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)NC[C@]1(C)CC1(F)F ZINC000666597576 452998477 /nfs/dbraw/zinc/99/84/77/452998477.db2.gz AIPWELIQBBPWDW-HNNXBMFYSA-N 2 0 334.455 1.947 20 0 EDADRP Cc1cc(N2CC[C@@H]([NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)C2=O)n(C)n1 ZINC000662291360 453013441 /nfs/dbraw/zinc/01/34/41/453013441.db2.gz FNCSVFYBNGUJRD-IAGOWNOFSA-N 2 0 345.491 1.545 20 0 EDADRP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291830 453015017 /nfs/dbraw/zinc/01/50/17/453015017.db2.gz ADZIKEWQCMMTQY-UFYCRDLUSA-N 3 0 331.504 1.629 20 0 EDADRP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000646023944 453019989 /nfs/dbraw/zinc/01/99/89/453019989.db2.gz FEIATEZXOVSVJB-AZUAARDMSA-N 2 0 347.503 1.985 20 0 EDADRP CO[C@@H](C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1)[C@@H]1CCOC1 ZINC000660107141 453031140 /nfs/dbraw/zinc/03/11/40/453031140.db2.gz MLFVHFVQCQNUJK-MJGOQNOKSA-N 2 0 339.524 1.528 20 0 EDADRP c1c(C2CC[NH+](C[C@@H]3CNCCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326883 453046595 /nfs/dbraw/zinc/04/65/95/453046595.db2.gz GFANPMGAOQUIBM-INIZCTEOSA-N 2 0 333.480 1.045 20 0 EDADRP Cc1cnn(CC[N@@H+]2CCC[C@@H](c3cc(N4CC[NH2+]CC4)n[nH]3)C2)c1 ZINC000662338325 453056312 /nfs/dbraw/zinc/05/63/12/453056312.db2.gz QJDOKZLKXADCTA-MRXNPFEDSA-N 2 0 343.479 1.204 20 0 EDADRP c1c(N2CC[NH2+]CC2)n[nH]c1[C@H]1CCC[N@@H+](CC2CCOCC2)C1 ZINC000662338735 453056845 /nfs/dbraw/zinc/05/68/45/453056845.db2.gz VCJYBMCHECIURG-INIZCTEOSA-N 2 0 333.480 1.425 20 0 EDADRP Clc1ccccc1Cn1cc(C[NH2+]CCCN2CC[NH2+]CC2)cn1 ZINC000666736794 453106093 /nfs/dbraw/zinc/10/60/93/453106093.db2.gz IBODULHKGSHNPD-UHFFFAOYSA-N 2 0 347.894 1.970 20 0 EDADRP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)NCc1ccn2ccnc2c1 ZINC000664450798 453107318 /nfs/dbraw/zinc/10/73/18/453107318.db2.gz RIEUVPFWKCUIOM-HNNXBMFYSA-N 2 0 346.479 1.406 20 0 EDADRP C[C@H]1CCC[C@@](CNC(=O)c2cnnn2C2CC[NH2+]CC2)([NH+](C)C)C1 ZINC000662401366 453112273 /nfs/dbraw/zinc/11/22/73/453112273.db2.gz SBPFAYPBVYLCPD-KBXCAEBGSA-N 2 0 348.495 1.443 20 0 EDADRP CN(CC1C[NH+](C)C1)C(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000660229597 453144504 /nfs/dbraw/zinc/14/45/04/453144504.db2.gz MCEBRVVEDUQEDM-UHFFFAOYSA-N 2 0 330.476 1.985 20 0 EDADRP [NH3+][C@H](c1cn(C[C@H]2CC[N@H+](Cc3ccccc3)C2)nn1)[C@@H]1CCCO1 ZINC000656468780 453204647 /nfs/dbraw/zinc/20/46/47/453204647.db2.gz SHNVEGOQWDVPGA-YTQUADARSA-N 2 0 341.459 1.979 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000662507805 453224445 /nfs/dbraw/zinc/22/44/45/453224445.db2.gz RSXICUUOULTWHZ-PBHICJAKSA-N 2 0 334.464 1.476 20 0 EDADRP O=C(c1cc(C2CC[NH2+]CC2)no1)N1CCC2(CC[NH2+]CC2)CC1 ZINC000662519194 453238173 /nfs/dbraw/zinc/23/81/73/453238173.db2.gz NZSGWWBEVIHTRA-UHFFFAOYSA-N 2 0 332.448 1.747 20 0 EDADRP CCC[N@@H+]1CC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000660355020 453240821 /nfs/dbraw/zinc/24/08/21/453240821.db2.gz ZUVMKSLVZIFZTH-SFHVURJKSA-N 2 0 345.491 1.830 20 0 EDADRP C[C@H]1CN(C(=O)NCc2ccc(C[NH3+])cc2)CC[N@@H+]1CC(C)(C)O ZINC000646229440 453242327 /nfs/dbraw/zinc/24/23/27/453242327.db2.gz ZPVVVLOTMQPGBB-AWEZNQCLSA-N 2 0 334.464 1.132 20 0 EDADRP Nc1nc(-n2cccn2)cc(NCC2CC[NH+](CC3CC3)CC2)[nH+]1 ZINC000664647046 453283384 /nfs/dbraw/zinc/28/33/84/453283384.db2.gz LYARTRBDWAXYMD-UHFFFAOYSA-N 2 0 327.436 1.778 20 0 EDADRP C[NH+](C)CC[C@H](N)C(=O)NCc1cccc(C[NH+]2CCCCCC2)c1 ZINC000653114004 453300995 /nfs/dbraw/zinc/30/09/95/453300995.db2.gz VQIMXBIBYGUXLB-IBGZPJMESA-N 2 0 346.519 1.958 20 0 EDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]CC1 ZINC000653124030 453317010 /nfs/dbraw/zinc/31/70/10/453317010.db2.gz OMEWNENLZBGWEP-IBGZPJMESA-N 2 0 344.503 1.310 20 0 EDADRP C[C@H](C(=O)N1CCC([N@@H+]2CCOC[C@H]2C)CC1)[NH+]1CCCCCC1 ZINC000646321714 453318881 /nfs/dbraw/zinc/31/88/81/453318881.db2.gz OTHQLSSEPPLOQL-IAGOWNOFSA-N 2 0 337.508 1.963 20 0 EDADRP C[NH+](C)C1CCN(c2ccc(NC(=O)[C@H]3CCC[NH2+]CC3)nc2)CC1 ZINC000653125403 453319213 /nfs/dbraw/zinc/31/92/13/453319213.db2.gz YJPVWTRCZFOBSV-HNNXBMFYSA-N 2 0 345.491 1.940 20 0 EDADRP O=C(c1cc([C@@H]2CC[NH2+]C2)n[nH]1)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662593814 453320741 /nfs/dbraw/zinc/32/07/41/453320741.db2.gz KZMYTNIRCFKVBS-HUUCEWRRSA-N 2 0 331.464 1.338 20 0 EDADRP O=C([C@@H]1CCC[N@H+](Cc2cccnc2)C1)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646338149 453329366 /nfs/dbraw/zinc/32/93/66/453329366.db2.gz CBVDVGARPNIOPD-KURKYZTESA-N 2 0 328.460 1.504 20 0 EDADRP C[NH+](C)CC[C@@H](N)C(=O)N(CC[NH+](C)C)Cc1ccc(F)c(F)c1 ZINC000653140088 453329988 /nfs/dbraw/zinc/32/99/88/453329988.db2.gz LRMZKTHTAXTKHU-MRXNPFEDSA-N 2 0 342.434 1.134 20 0 EDADRP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000667041713 453357697 /nfs/dbraw/zinc/35/76/97/453357697.db2.gz LCQRFFJFCVHSRV-IEBWSBKVSA-N 2 0 341.459 1.986 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)N1CC[C@H]2C[C@H]2C1 ZINC000660515140 453364397 /nfs/dbraw/zinc/36/43/97/453364397.db2.gz GYINQXHHRFMDSN-IRXDYDNUSA-N 2 0 343.475 1.645 20 0 EDADRP C[NH+](C)[C@H]1C[C@@H](CNC(=O)CC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000655247208 453371073 /nfs/dbraw/zinc/37/10/73/453371073.db2.gz WOXFTPDKFSSXQV-IZAXUBKRSA-N 2 0 344.503 1.655 20 0 EDADRP CC(C)[NH+](CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1)C(C)C ZINC000662661093 453372910 /nfs/dbraw/zinc/37/29/10/453372910.db2.gz JOTOMJRXFAACOG-OAHLLOKOSA-N 2 0 336.484 1.441 20 0 EDADRP [NH3+]C[C@H](C(=O)N1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccc(F)cc1 ZINC000653183699 453373068 /nfs/dbraw/zinc/37/30/68/453373068.db2.gz IMOPDKXAOICKKX-RANZSIQMSA-N 2 0 349.450 1.613 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@H]([N@H+](C)CCc2ccccc2)C1 ZINC000662661766 453375522 /nfs/dbraw/zinc/37/55/22/453375522.db2.gz VTEQCXFNUVJSAP-ROUUACIJSA-N 2 0 333.476 1.514 20 0 EDADRP C[C@@H]1C[NH+](CCCNC(=O)[C@]2(C(F)(F)F)CC[NH2+]C2)C[C@@H](C)O1 ZINC000662669987 453384653 /nfs/dbraw/zinc/38/46/53/453384653.db2.gz BNYNUMHBSRGKSS-BZPMIXESSA-N 2 0 337.386 1.144 20 0 EDADRP CC(C)C[C@H](CNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1)[NH+](C)C ZINC000662672499 453388435 /nfs/dbraw/zinc/38/84/35/453388435.db2.gz ABEWKXNKBULCQS-LSDHHAIUSA-N 2 0 336.484 1.299 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662675594 453391940 /nfs/dbraw/zinc/39/19/40/453391940.db2.gz QMNIWQBTUYAFLX-SHTZXODSSA-N 2 0 332.448 1.434 20 0 EDADRP C[C@@H]1C[N@@H+](Cc2ccc(CNC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C[C@H](C)O1 ZINC000662675313 453392497 /nfs/dbraw/zinc/39/24/97/453392497.db2.gz KYOGDOHDMUEGTH-FYGLJJOGSA-N 2 0 331.460 1.649 20 0 EDADRP CCCN(CC[NH+]1CCCC1)C(=O)C(=O)Nc1cccc(C[NH3+])c1 ZINC000667142354 453433692 /nfs/dbraw/zinc/43/36/92/453433692.db2.gz PAZZLOOIBZJQCK-UHFFFAOYSA-N 2 0 332.448 1.418 20 0 EDADRP CCCC[N@H+](C)C[C@H](C)NC(=O)C(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000667152867 453441739 /nfs/dbraw/zinc/44/17/39/453441739.db2.gz IJZXPKZKBHICDP-AWEZNQCLSA-N 2 0 346.475 1.507 20 0 EDADRP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662720915 453445373 /nfs/dbraw/zinc/44/53/73/453445373.db2.gz GEHCBMQCFPECNE-FHLIZLRMSA-N 2 0 331.460 1.692 20 0 EDADRP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CN(C)CCN1Cc1ccccc1 ZINC000662741183 453466204 /nfs/dbraw/zinc/46/62/04/453466204.db2.gz DGYMQHVOFGAXTM-FUHWJXTLSA-N 2 0 332.492 1.307 20 0 EDADRP C[NH2+]CCCC(=O)N1CCC(NC(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000662742605 453469400 /nfs/dbraw/zinc/46/94/00/453469400.db2.gz FQHJDFYDZUCBQI-KRWDZBQOSA-N 2 0 346.475 1.183 20 0 EDADRP COc1cccc(COC[C@@H](O)C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657555 453494024 /nfs/dbraw/zinc/49/40/24/453494024.db2.gz YBMMSLSWJUPRPI-ICSRJNTNSA-N 2 0 348.487 1.990 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N[C@@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660699354 453522346 /nfs/dbraw/zinc/52/23/46/453522346.db2.gz DODCUJXUDOXFGR-MRXNPFEDSA-N 2 0 340.512 1.659 20 0 EDADRP CN1CC[NH+](CC2CCN(C(=O)c3cccc4c3C[NH2+]C4)CC2)CC1 ZINC000662789010 453522546 /nfs/dbraw/zinc/52/25/46/453522546.db2.gz YWCFIIDZBLEJGJ-UHFFFAOYSA-N 2 0 342.487 1.389 20 0 EDADRP C[C@H](NC(=O)[C@@H]1CCO[C@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000662804257 453539871 /nfs/dbraw/zinc/53/98/71/453539871.db2.gz PDZKZPPVLNPKQI-HPBDAGMYSA-N 2 0 331.460 1.377 20 0 EDADRP CC1(C)CC[NH2+][C@H]1C(=O)NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000662816258 453547554 /nfs/dbraw/zinc/54/75/54/453547554.db2.gz NWVZMJMPUDSMOW-KRWDZBQOSA-N 3 0 344.503 1.484 20 0 EDADRP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCCN2C(=O)c2cccc3c2CC[NH2+]C3)C1 ZINC000662832383 453557892 /nfs/dbraw/zinc/55/78/92/453557892.db2.gz VOBKBDPARWMCNT-MNEFBYGVSA-N 2 0 343.471 1.833 20 0 EDADRP O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662845279 453567024 /nfs/dbraw/zinc/56/70/24/453567024.db2.gz HKARFPSVLSISLN-HKUYNNGSSA-N 2 0 327.472 1.939 20 0 EDADRP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000662860707 453576881 /nfs/dbraw/zinc/57/68/81/453576881.db2.gz ULMWNAADZQMGRC-ZWKOTPCHSA-N 2 0 347.503 1.894 20 0 EDADRP COCC(COC)N1CCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000660794913 453577087 /nfs/dbraw/zinc/57/70/87/453577087.db2.gz DDOVKGIJMORVNZ-IAGOWNOFSA-N 2 0 327.513 1.243 20 0 EDADRP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(OCC)cc1 ZINC000662868282 453579917 /nfs/dbraw/zinc/57/99/17/453579917.db2.gz AYMCGUYIZDOBAQ-QZTJIDSGSA-N 2 0 333.476 1.989 20 0 EDADRP CN(CC[N@H+](C)C1CC1)C(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000659038986 453593616 /nfs/dbraw/zinc/59/36/16/453593616.db2.gz XNULAEGXBCHUKZ-QGZVFWFLSA-N 2 0 332.448 1.905 20 0 EDADRP COCC[NH+]1CCC(NC(=O)N[C@H]2CC[N@@H+](C(C)(C)C)C2)CC1 ZINC000660837364 453598585 /nfs/dbraw/zinc/59/85/85/453598585.db2.gz KRIWDUSGKPOUKD-HNNXBMFYSA-N 2 0 326.485 1.269 20 0 EDADRP C[NH2+]Cc1ccc(NC(=O)C(=O)NC[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000659091462 453625410 /nfs/dbraw/zinc/62/54/10/453625410.db2.gz NNMDLQVWGZMEGX-HNNXBMFYSA-N 2 0 346.475 1.581 20 0 EDADRP C[NH+](C)CCC[C@@H]1CN(C(=O)[C@@]2(C(F)(F)F)CC[NH2+]C2)CCO1 ZINC000662973033 453631085 /nfs/dbraw/zinc/63/10/85/453631085.db2.gz OJNCHDXGAVLHCX-TZMCWYRMSA-N 2 0 337.386 1.098 20 0 EDADRP O=C(NCC1CC[NH+](CC2CC2)CC1)c1cnnn1C1CC[NH2+]CC1 ZINC000662977162 453633546 /nfs/dbraw/zinc/63/35/46/453633546.db2.gz GPIHJVBRYDHUFA-UHFFFAOYSA-N 2 0 346.479 1.054 20 0 EDADRP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cn1cc(Br)ccc1=O ZINC000665282260 453634776 /nfs/dbraw/zinc/63/47/76/453634776.db2.gz UMHJLYUEYCKUSR-WCQYABFASA-N 2 0 330.270 1.962 20 0 EDADRP CC(C)OC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000659288828 453704399 /nfs/dbraw/zinc/70/43/99/453704399.db2.gz SQRXITZVLQRSIK-SZMVWBNQSA-N 2 0 333.476 1.766 20 0 EDADRP O=C(C[C@H]1CSCC[NH2+]1)N[C@H]1C[NH2+]CC[C@H]1c1ccc(F)cc1 ZINC000659355135 453726247 /nfs/dbraw/zinc/72/62/47/453726247.db2.gz KUHAGWCPPMNVDF-JYJNAYRXSA-N 2 0 337.464 1.483 20 0 EDADRP CN(Cc1c[nH]cn1)C(=O)NCc1ccncc1OCCC[NH+](C)C ZINC000661192462 453752926 /nfs/dbraw/zinc/75/29/26/453752926.db2.gz ZKDAMXXUPKJQOO-UHFFFAOYSA-N 2 0 346.435 1.477 20 0 EDADRP O=C(NCCC[NH+]1CCCCC1)NC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000663503943 453811332 /nfs/dbraw/zinc/81/13/32/453811332.db2.gz VIBNZOVRNLIXGL-KRWDZBQOSA-N 2 0 338.496 1.415 20 0 EDADRP Cc1c(N2CCC[C@@H]([NH+](C)C)C2)ncnc1N1CCC[C@H]([NH+](C)C)C1 ZINC000663531652 453816799 /nfs/dbraw/zinc/81/67/99/453816799.db2.gz VZEWMKDKYPVFHA-CALCHBBNSA-N 2 0 346.523 1.846 20 0 EDADRP C[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000382763474 486695705 /nfs/dbraw/zinc/69/57/05/486695705.db2.gz OJGKXJVAZVXOEV-QGZVFWFLSA-N 2 0 330.476 1.015 20 0 EDADRP [NH3+][C@@H]1CCC[C@H](NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000416981231 486790475 /nfs/dbraw/zinc/79/04/75/486790475.db2.gz VBVMCDHHJSRRTF-ZBFHGGJFSA-N 2 0 331.464 1.615 20 0 EDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)N[C@H]1CCc2cc(O)ccc2C1 ZINC000683719426 486799986 /nfs/dbraw/zinc/79/99/86/486799986.db2.gz QMSPBSDICGMRHN-KRWDZBQOSA-N 2 0 348.491 1.384 20 0 EDADRP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CC[NH+](CCO)C(C)(C)C1 ZINC000672882614 486829865 /nfs/dbraw/zinc/82/98/65/486829865.db2.gz WAASNWKKCWRFMB-MRXNPFEDSA-N 2 0 340.512 1.349 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)cc1 ZINC000683943668 486876290 /nfs/dbraw/zinc/87/62/90/486876290.db2.gz IJYMSXYZKOINQT-MRXNPFEDSA-N 2 0 337.489 1.511 20 0 EDADRP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000430704352 486887883 /nfs/dbraw/zinc/88/78/83/486887883.db2.gz IBEKLUNTNBLVEC-DLBZAZTESA-N 2 0 344.459 1.578 20 0 EDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)[C@H]1C[C@H]2C[C@H]2C1 ZINC000667680433 486910816 /nfs/dbraw/zinc/91/08/16/486910816.db2.gz HBVIMZIAAMOCTP-FVQHAEBGSA-N 2 0 328.460 1.756 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)NC1CC[NH+](CC2CC2)CC1 ZINC000667793457 486967739 /nfs/dbraw/zinc/96/77/39/486967739.db2.gz AZXVKUWPAPWPIN-UHFFFAOYSA-N 2 0 329.448 1.723 20 0 EDADRP CC(C)[C@@H](C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1)[NH+]1CCCCC1 ZINC000684174509 486968169 /nfs/dbraw/zinc/96/81/69/486968169.db2.gz JXXZVBDQAHRTSX-FUHWJXTLSA-N 2 0 325.497 1.412 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000667795854 486969268 /nfs/dbraw/zinc/96/92/68/486969268.db2.gz SBFCOMMLPFDRMC-INIZCTEOSA-N 2 0 329.448 1.819 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)N2CCC[N@@H+](C3CCCC3)CC2)cn1 ZINC000673869950 487140707 /nfs/dbraw/zinc/14/07/07/487140707.db2.gz GYEVLTFFKUKEMX-UHFFFAOYSA-N 2 0 348.495 1.927 20 0 EDADRP COCC1(N(C)CC(=O)Nc2ccc(CN3CCOCC3)cc2)CC1 ZINC000677728074 487159150 /nfs/dbraw/zinc/15/91/50/487159150.db2.gz AQPULGKYCBTDQF-UHFFFAOYSA-N 2 0 347.459 1.568 20 0 EDADRP O=C1NC[C@@H]2[C@H]1CCC[N@@H+]2Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684967722 487202786 /nfs/dbraw/zinc/20/27/86/487202786.db2.gz ULBOKOIUQLAWQI-RTBURBONSA-N 2 0 343.471 1.872 20 0 EDADRP C[C@@H]1CN(Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1CC(C)(C)O ZINC000682167512 487312582 /nfs/dbraw/zinc/31/25/82/487312582.db2.gz HAXSAJHFDGFXLH-QGZVFWFLSA-N 2 0 349.519 1.904 20 0 EDADRP CCCN(CCC[NH+](C)C)C(=O)NCC(C)(C)N1CC[NH+](C)CC1 ZINC000682444414 487365092 /nfs/dbraw/zinc/36/50/92/487365092.db2.gz SDHFSBYIJGHCDD-UHFFFAOYSA-N 2 0 341.544 1.386 20 0 EDADRP CC[C@@H](C[NH+]1CCCC1)NC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000675177531 487385457 /nfs/dbraw/zinc/38/54/57/487385457.db2.gz UHODRHOKXLQCIR-IRXDYDNUSA-N 2 0 340.512 1.517 20 0 EDADRP CC(C)Oc1cc(C(=O)N[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccn1 ZINC000675330344 487399190 /nfs/dbraw/zinc/39/91/90/487399190.db2.gz KEDGGJILVWASRA-MRXNPFEDSA-N 2 0 346.475 1.767 20 0 EDADRP C[NH+](C)CCn1cc(NC(=O)NCC(C)(C)C[NH+]2CCCC2)cn1 ZINC000683032529 487443474 /nfs/dbraw/zinc/44/34/74/487443474.db2.gz ROPBOVUZVVUBPC-UHFFFAOYSA-N 2 0 336.484 1.688 20 0 EDADRP C[C@@H]([NH3+])[C@@H]1CN(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000669513492 485478497 /nfs/dbraw/zinc/47/84/97/485478497.db2.gz VBKAODKSEAIPJS-PBHICJAKSA-N 2 0 338.496 1.541 20 0 EDADRP O=C(Nc1cnc2c(c1)C[NH2+]CC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000669513468 485478907 /nfs/dbraw/zinc/47/89/07/485478907.db2.gz SPRZDAWWTFXOSF-UHFFFAOYSA-N 2 0 336.439 1.987 20 0 EDADRP CC1([NH3+])CCN(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000669550942 485544688 /nfs/dbraw/zinc/54/46/88/485544688.db2.gz OHHBMUQKNIBXHE-UHFFFAOYSA-N 2 0 331.464 1.821 20 0 EDADRP [NH3+]CCCNC(=O)N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000669557206 485561011 /nfs/dbraw/zinc/56/10/11/485561011.db2.gz YJKWRPKZNIHIGI-OKZBNKHCSA-N 2 0 330.476 1.935 20 0 EDADRP CCC(CC)[C@@H](CNC(=O)NC[C@H]1CCCC[NH2+]1)[NH+]1CCOCC1 ZINC000669036491 485585299 /nfs/dbraw/zinc/58/52/99/485585299.db2.gz UZQFAONPWSBCQV-IAGOWNOFSA-N 2 0 340.512 1.565 20 0 EDADRP CC(C)[NH+](CCNC(=O)C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C(C)C ZINC000668347662 485614347 /nfs/dbraw/zinc/61/43/47/485614347.db2.gz BCOOQOIXTHRGJC-HNNXBMFYSA-N 2 0 340.512 1.210 20 0 EDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)NC/C=C/C[NH3+])cc2)CC1 ZINC000669582988 485631019 /nfs/dbraw/zinc/63/10/19/485631019.db2.gz VOCSTWZYQHSARU-NSCUHMNNSA-N 2 0 332.448 1.474 20 0 EDADRP O=C(NC[C@@H]1CCCC[NH2+]1)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000669111255 485675458 /nfs/dbraw/zinc/67/54/58/485675458.db2.gz NKXKJQHQMYGFIZ-INIZCTEOSA-N 2 0 331.464 1.487 20 0 EDADRP CC[NH+](CC)CCO[C@H]1CCN(C(=O)N[C@@H]2CCC[N@H+](C)C2)C1 ZINC000673770733 485722235 /nfs/dbraw/zinc/72/22/35/485722235.db2.gz DNWIRFLHTWPFPA-CVEARBPZSA-N 2 0 326.485 1.223 20 0 EDADRP C[C@H](NC(=O)C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C(C)(C)C[NH+](C)C ZINC000669146745 485736527 /nfs/dbraw/zinc/73/65/27/485736527.db2.gz ZCDJDUNZYYUESW-UONOGXRCSA-N 2 0 340.512 1.068 20 0 EDADRP COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000668436820 485748700 /nfs/dbraw/zinc/74/87/00/485748700.db2.gz OYOGCNYNEGTJRD-MOPGFXCFSA-N 2 0 345.487 1.703 20 0 EDADRP C[NH+]1CCC([C@@H]2OCC[C@H]2C(=O)NCCC[NH+]2CCCCC2)CC1 ZINC000343314178 485930144 /nfs/dbraw/zinc/93/01/44/485930144.db2.gz KAQKWLXVOMWDQE-MSOLQXFVSA-N 2 0 337.508 1.726 20 0 EDADRP O=C(NC[C@H]1CCCC[NH2+]1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000668602762 485937193 /nfs/dbraw/zinc/93/71/93/485937193.db2.gz JGFQFTGYAIDYNI-MRXNPFEDSA-N 2 0 338.496 1.463 20 0 EDADRP C[C@H]([NH3+])[C@H]1CN(C(=O)NC[C@@H](c2ccsc2)[NH+](C)C)CCO1 ZINC000669301001 485944304 /nfs/dbraw/zinc/94/43/04/485944304.db2.gz XGIGTGQCFXXAHS-FPMFFAJLSA-N 2 0 326.466 1.108 20 0 EDADRP c1cc(C[N@H+](CCN2CCOCC2)CC2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668682098 486038049 /nfs/dbraw/zinc/03/80/49/486038049.db2.gz WUBLWHUSVZAPKI-UHFFFAOYSA-N 2 0 341.459 1.812 20 0 EDADRP O=C1CCCN1C[C@@H]1CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000668716006 486081431 /nfs/dbraw/zinc/08/14/31/486081431.db2.gz QDDHKVAAOPCRII-OAHLLOKOSA-N 2 0 325.416 1.712 20 0 EDADRP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC[NH+]1CCCO[C@H](C)C1 ZINC000433391773 486094736 /nfs/dbraw/zinc/09/47/36/486094736.db2.gz XEQLGXORSSIULX-ZMSDIMECSA-N 2 0 338.496 1.269 20 0 EDADRP O=C(c1ccc2c[nH+]cn2c1)N1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000670778199 486175831 /nfs/dbraw/zinc/17/58/31/486175831.db2.gz JJTASXFAQOADJA-KRWDZBQOSA-N 2 0 328.416 1.661 20 0 EDADRP CC[N@H+](C)C[C@@H](O)CN1CCC(CC[NH+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000570584373 486205053 /nfs/dbraw/zinc/20/50/53/486205053.db2.gz NAVSGWSMGWATEM-ZIFCJYIRSA-N 2 0 341.540 1.510 20 0 EDADRP CCOCCC[N@@H+]1CC[C@@H](NC(=O)N2CCC(C)([NH3+])CC2)[C@H](C)C1 ZINC000669486264 486252950 /nfs/dbraw/zinc/25/29/50/486252950.db2.gz OCANGOKYRNITTQ-HZPDHXFCSA-N 2 0 340.512 1.646 20 0 EDADRP O=C(C[N@H+]1CC[C@](O)(C2CC2)C1)N1CCN(Cc2ccccc2)CC1 ZINC000489246428 486573771 /nfs/dbraw/zinc/57/37/71/486573771.db2.gz BRTNMMFLJQSOMA-HXUWFJFHSA-N 2 0 343.471 1.178 20 0 EDADRP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC000496433227 486620339 /nfs/dbraw/zinc/62/03/39/486620339.db2.gz JGABEJCVMVSPRF-HZPDHXFCSA-N 2 0 343.512 1.926 20 0 EDADRP C[C@@H]([NH2+]CCN(C)S(=O)(=O)c1cccs1)C1CC[NH+](C)CC1 ZINC000090580009 491199471 /nfs/dbraw/zinc/19/94/71/491199471.db2.gz HJNCTYKZILHIAQ-CYBMUJFWSA-N 2 0 345.534 1.689 20 0 EDADRP C[C@H](C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C[C@H](O)C1CC1 ZINC000305694238 491243861 /nfs/dbraw/zinc/24/38/61/491243861.db2.gz BRBXAVQTXQLBPC-MNEFBYGVSA-N 2 0 345.487 1.468 20 0 EDADRP CC[N@@H+]1CC[C@@H](N(C)C(=O)Nc2cnn(CC[NH+](C)C)c2)[C@H](C)C1 ZINC000120898269 490998532 /nfs/dbraw/zinc/99/85/32/490998532.db2.gz QVWJCRAPTNHVNY-GDBMZVCRSA-N 2 0 336.484 1.639 20 0 EDADRP CC(=O)NCCC[N@@H+](C)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352714677 534380800 /nfs/dbraw/zinc/38/08/00/534380800.db2.gz MNZVGQJTXDXBJX-UHFFFAOYSA-N 2 0 332.492 1.262 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)c1[nH]nc2c1C[NH2+]CC2)c1ccsc1 ZINC000188720161 520867028 /nfs/dbraw/zinc/86/70/28/520867028.db2.gz ZOGTTWRJCFDNKA-OAHLLOKOSA-N 2 0 347.488 1.930 20 0 EDADRP CC(C)Cn1cc(C[N@@H+]2CCC[C@H](C(=O)N3CC[NH2+]CC3)C2)cn1 ZINC000346998500 534897398 /nfs/dbraw/zinc/89/73/98/534897398.db2.gz DBKOOUPYSRRQBH-KRWDZBQOSA-N 2 0 333.480 1.183 20 0 EDADRP CCO[C@@H]1C[C@]([NH3+])(C(=O)NCc2cccc(C[NH+](C)C)c2)C1(C)C ZINC000188056401 527979403 /nfs/dbraw/zinc/97/94/03/527979403.db2.gz SXZBAXGVBKPRGB-APWZRJJASA-N 2 0 333.476 1.897 20 0 EDADRP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954088 528048230 /nfs/dbraw/zinc/04/82/30/528048230.db2.gz MIEQRUZYWMIUJN-MRXNPFEDSA-N 2 0 325.497 1.820 20 0 EDADRP CC[NH+](CC)Cc1cccc(CNC(=O)C2(OC)CC[NH2+]CC2)c1 ZINC000164746457 528193134 /nfs/dbraw/zinc/19/31/34/528193134.db2.gz OWXZYABOVNECCT-UHFFFAOYSA-N 2 0 333.476 1.913 20 0 EDADRP CCCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CC1 ZINC000154903798 528803800 /nfs/dbraw/zinc/80/38/00/528803800.db2.gz OTWJCHQXWDATDD-GOEBONIOSA-N 2 0 331.526 1.511 20 0 EDADRP CC[NH+](CC)CCNC(=O)c1ccc(NC(=O)C2([NH3+])CCCC2)cc1 ZINC000262624074 535539102 /nfs/dbraw/zinc/53/91/02/535539102.db2.gz FROBSKXEZSNNHU-UHFFFAOYSA-N 2 0 346.475 1.968 20 0 EDADRP CC[NH+](CC)CCOCCNC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000351698532 535545405 /nfs/dbraw/zinc/54/54/05/535545405.db2.gz BRINIGJDMYFEHH-UHFFFAOYSA-N 2 0 342.528 1.907 20 0 EDADRP CC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC[C@@H]2C(=O)NC)CC1 ZINC000345836546 535753332 /nfs/dbraw/zinc/75/33/32/535753332.db2.gz CWOLUZOPCLPSFM-ROUUACIJSA-N 2 0 344.503 1.833 20 0 EDADRP CC[C@@H]1C[C@@H](C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)CC(=O)N1 ZINC000349151344 535854794 /nfs/dbraw/zinc/85/47/94/535854794.db2.gz OACORVFEFBOCCX-HZPDHXFCSA-N 2 0 340.512 1.023 20 0 EDADRP C[NH+](C)Cc1ccc(S(=O)(=O)NCC2(C)CC[NH2+]CC2)cc1 ZINC000262340830 536018561 /nfs/dbraw/zinc/01/85/61/536018561.db2.gz SUPHGWULAZOXCR-UHFFFAOYSA-N 2 0 325.478 1.416 20 0 EDADRP CC[C@H](C(=O)N1C[C@@H](OC)C[C@@H]1C[NH+]1CCCC1)[NH+](CC)CC ZINC000347989921 536089950 /nfs/dbraw/zinc/08/99/50/536089950.db2.gz BFWVHIVBXUWKPH-IXDOHACOSA-N 2 0 325.497 1.819 20 0 EDADRP C[N@H+](CC1CC1)C[C@@H]1CCN(C(=O)N[C@@H]2CC[NH+]3CCCC[C@@H]23)C1 ZINC000347991534 536179959 /nfs/dbraw/zinc/17/99/59/536179959.db2.gz MWZHYDDOKZMGAS-KSZLIROESA-N 2 0 334.508 1.987 20 0 EDADRP C[NH2+][C@@H]1CCCN(C(=O)[C@@](C)([NH3+])c2ccc(Br)cc2)C1 ZINC000261950681 536359117 /nfs/dbraw/zinc/35/91/17/536359117.db2.gz HHCOBQBBBJVKKX-HIFRSBDPSA-N 2 0 340.265 1.833 20 0 EDADRP CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262899238 536560449 /nfs/dbraw/zinc/56/04/49/536560449.db2.gz PITCDUWHQHRJIE-SZMVWBNQSA-N 2 0 333.476 1.862 20 0 EDADRP COC[C@H]([NH3+])C(=O)NC[C@@H](c1cccs1)[NH+]1CCC(C)CC1 ZINC000263228800 536863504 /nfs/dbraw/zinc/86/35/04/536863504.db2.gz HJRJSMBHGFZMFA-KBPBESRZSA-N 2 0 325.478 1.611 20 0 EDADRP Cc1ccccc1[C@H](O)C[NH+]1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000741779644 579427855 /nfs/dbraw/zinc/42/78/55/579427855.db2.gz ILEKZFZWFOZEAP-GOSISDBHSA-N 2 0 333.476 1.418 20 0 EDADRP C[NH+](C)CC(C)(C)CNC(=S)NC[C@]1([NH+](C)C)CCSC1 ZINC000748602358 578497160 /nfs/dbraw/zinc/49/71/60/578497160.db2.gz OQXXAZHEYKOSQK-OAHLLOKOSA-N 2 0 332.583 1.476 20 0 EDADRP CN(C)C(=O)c1cccc(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1 ZINC000732667035 578723148 /nfs/dbraw/zinc/72/31/48/578723148.db2.gz JBQMPQLTDNFQJM-UHFFFAOYSA-N 2 0 333.476 1.931 20 0 EDADRP CC(C[NH+]1CCC2(CC1)OCCO2)C[NH+]1CCC2(CC1)OCCO2 ZINC000733897795 578787686 /nfs/dbraw/zinc/78/76/86/578787686.db2.gz OFTXYNMSPOMJJE-UHFFFAOYSA-N 2 0 340.464 1.300 20 0 EDADRP COc1ccc(COC[C@H](O)C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000735870599 578934545 /nfs/dbraw/zinc/93/45/45/578934545.db2.gz MVTHMWSWKYVLIQ-QZTJIDSGSA-N 2 0 336.476 1.846 20 0 EDADRP C[NH+](C)CC1CC[NH+](Cc2cn3ccccc3c2-c2nn[nH]n2)CC1 ZINC000736759573 579018376 /nfs/dbraw/zinc/01/83/76/579018376.db2.gz UONOBAACTQSJMV-UHFFFAOYSA-N 2 0 339.447 1.893 20 0 EDADRP CC(C)[C@H](C[NH+](C)C)NC(=O)CC[NH+]1CCN(c2ccccn2)CC1 ZINC000746260357 579582769 /nfs/dbraw/zinc/58/27/69/579582769.db2.gz WRLIPYAJYCBLJF-KRWDZBQOSA-N 2 0 347.507 1.296 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC(=S)NCC[NH+](C)C ZINC000749829012 579741442 /nfs/dbraw/zinc/74/14/42/579741442.db2.gz KQWTVBGLINDFDT-NVXWUHKLSA-N 2 0 334.533 1.923 20 0 EDADRP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC(C(=O)OC)=C(C)O2)C1 ZINC000778220349 580459020 /nfs/dbraw/zinc/45/90/20/580459020.db2.gz DVHZFYFDMBNBDB-CVEARBPZSA-N 2 0 340.464 1.655 20 0 EDADRP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H](O)c1cc(Cl)c2c(c1)OCCO2 ZINC000756125433 579944013 /nfs/dbraw/zinc/94/40/13/579944013.db2.gz CRUPRTCAEBOULI-LERXQTSPSA-N 2 0 326.824 1.684 20 0 EDADRP C[N@@H+]1CC[C@@H](NC(=S)NC2CC[NH+](C)CC2)[C@@H]1c1ccccc1 ZINC000758271889 579978776 /nfs/dbraw/zinc/97/87/76/579978776.db2.gz HNOKLGICQIOMLE-SJORKVTESA-N 2 0 332.517 1.990 20 0 EDADRP O=C(NCCCCCCC[NH+]1CCCC1)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000763987908 580109930 /nfs/dbraw/zinc/10/99/30/580109930.db2.gz NEIWOLZEXBATPJ-GOSISDBHSA-N 2 0 336.524 1.539 20 0 EDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=S)NCc1ccon1 ZINC000764461611 580120751 /nfs/dbraw/zinc/12/07/51/580120751.db2.gz FYRYBTSOTBKGJE-HNNXBMFYSA-N 2 0 339.509 1.397 20 0 EDADRP C[N@@H+](Cc1ccccc1)CC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000765964386 580155160 /nfs/dbraw/zinc/15/51/60/580155160.db2.gz MYQBLYXBWCKZEI-KRWDZBQOSA-N 2 0 329.444 1.636 20 0 EDADRP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000775386979 580389974 /nfs/dbraw/zinc/38/99/74/580389974.db2.gz UZNFWBQBVZZGQA-PMPSAXMXSA-N 2 0 329.579 1.983 20 0 EDADRP CC[N@H+](CCC1CC[NH+](CN2CC(=O)N(C)C2=O)CC1)CC(C)C ZINC000776199417 580411019 /nfs/dbraw/zinc/41/10/19/580411019.db2.gz DEMMLADCVIDKOB-UHFFFAOYSA-N 2 0 338.496 1.918 20 0 EDADRP CC(C)[NH+]1CCN(CCCOC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000792203279 580813371 /nfs/dbraw/zinc/81/33/71/580813371.db2.gz JANZKUXNISYMDW-IRXDYDNUSA-N 2 0 325.497 1.819 20 0 EDADRP Cc1cc([C@H](C)[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)n(C)n1 ZINC000793523854 580846969 /nfs/dbraw/zinc/84/69/69/580846969.db2.gz FKXPFCBWUHUWNJ-KRWDZBQOSA-N 2 0 342.491 1.986 20 0 EDADRP O=C(NCCCCC[NH+]1CCCCC1)NCC[NH+]1CCC(O)CC1 ZINC000893103665 590662575 /nfs/dbraw/zinc/66/25/75/590662575.db2.gz LWHJVFRPXCKPLL-UHFFFAOYSA-N 2 0 340.512 1.399 20 0 EDADRP CCC[N@H+](CC)C[C@H](C)NC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000891910986 590681833 /nfs/dbraw/zinc/68/18/33/590681833.db2.gz XEBSNQUQYQXPAE-XQQFMLRXSA-N 2 0 338.418 1.885 20 0 EDADRP CC[NH+](CC)CC(=O)N1CCN(C[C@H]2C[C@]2(C)Br)CC1 ZINC000891925425 590691930 /nfs/dbraw/zinc/69/19/30/590691930.db2.gz FUIGRQBJUDQDJQ-HIFRSBDPSA-N 2 0 346.313 1.646 20 0 EDADRP Cc1cc(N)nc(N2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)[nH+]1 ZINC000891952125 590703497 /nfs/dbraw/zinc/70/34/97/590703497.db2.gz IHGIRCTWYJHVNG-UHFFFAOYSA-N 2 0 348.495 1.288 20 0 EDADRP [NH3+][C@@H](CNC(=O)N1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000892050961 590772274 /nfs/dbraw/zinc/77/22/74/590772274.db2.gz JSGXFEYBCYFLLH-OTWHNJEPSA-N 2 0 342.487 1.887 20 0 EDADRP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1=CC[NH2+]CC1 ZINC000892066113 590780869 /nfs/dbraw/zinc/78/08/69/590780869.db2.gz YOMQLCSHXVGJQF-VQIMIIECSA-N 2 0 342.487 1.973 20 0 EDADRP C[N@@H+]1CCN(C(=O)NC[C@H]2[NH2+]CCc3ccccc32)CCC1(C)C ZINC000892118516 590809633 /nfs/dbraw/zinc/80/96/33/590809633.db2.gz HARYZCPQSGZTJV-QGZVFWFLSA-N 2 0 330.476 1.999 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NC[C@@H]3[NH2+]CCc4ccccc43)CC[C@H]21 ZINC000892119120 590809801 /nfs/dbraw/zinc/80/98/01/590809801.db2.gz MQJGOUCUTMFZNT-BPQIPLTHSA-N 2 0 328.460 1.609 20 0 EDADRP C[NH+](C)CCn1c2cc(NCC3CC[NH+](C)CC3)ccc2oc1=O ZINC000893369119 590812117 /nfs/dbraw/zinc/81/21/17/590812117.db2.gz DODBWOYTQZPUNX-UHFFFAOYSA-N 2 0 332.448 1.910 20 0 EDADRP C[C@@H]1CN(Cc2c3c(nn2C)CCC3)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000892151772 590825023 /nfs/dbraw/zinc/82/50/23/590825023.db2.gz BKRVPWIQLCPJKE-CRAIPNDOSA-N 2 0 331.508 1.367 20 0 EDADRP C[N@@H+]1CC[C@@H]2CN(C(=O)NCC3([NH3+])C4CC5CC(C4)CC3C5)CC[C@H]21 ZINC000892190274 590856122 /nfs/dbraw/zinc/85/61/22/590856122.db2.gz XSPWRIXNDQIZHM-NYPUBOTESA-N 2 0 346.519 1.876 20 0 EDADRP C[C@@H]1CC[N@H+](CCNC(=O)NCC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000893432239 590867341 /nfs/dbraw/zinc/86/73/41/590867341.db2.gz VBARNKMBAQKXFG-OAHLLOKOSA-N 2 0 336.455 1.899 20 0 EDADRP [NH3+]Cc1ccc(CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)c(F)c1 ZINC000892225550 590874052 /nfs/dbraw/zinc/87/40/52/590874052.db2.gz OWHIWKDWAGBCML-QGZVFWFLSA-N 2 0 342.418 1.798 20 0 EDADRP CC1(C)OC[C@H](C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)O1 ZINC000893488335 590904903 /nfs/dbraw/zinc/90/49/03/590904903.db2.gz SSBJQKLIQJJNPC-MSOLQXFVSA-N 2 0 334.460 1.884 20 0 EDADRP COCCN(CC1CC[NH+](C)CC1)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000892273124 590905539 /nfs/dbraw/zinc/90/55/39/590905539.db2.gz GUAPQBUWBORSGB-INIZCTEOSA-N 2 0 338.496 1.271 20 0 EDADRP CC[NH+](CC)[C@H]1CCN(C(=O)NCc2cccc3c2CC[NH2+]C3)C1 ZINC000892343979 590972088 /nfs/dbraw/zinc/97/20/88/590972088.db2.gz ZFPDROIDOZHJMF-KRWDZBQOSA-N 2 0 330.476 1.958 20 0 EDADRP CN(C)CC[N@H+](C)CCCN(C)C(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000892382884 591003349 /nfs/dbraw/zinc/00/33/49/591003349.db2.gz BWXYAJYGODUEBF-MRXNPFEDSA-N 2 0 341.544 1.290 20 0 EDADRP CC[N@H+](C)C[C@@H]1CCN(C(=O)NCC[C@H]([NH3+])Cc2ccccc2)C1 ZINC000892401097 591012490 /nfs/dbraw/zinc/01/24/90/591012490.db2.gz YUZOEHWREAADIM-ROUUACIJSA-N 2 0 332.492 1.930 20 0 EDADRP [NH3+]CCN(CCO)C(=O)NCCC1CC[NH+](Cc2ccccc2)CC1 ZINC000892500784 591051289 /nfs/dbraw/zinc/05/12/89/591051289.db2.gz FFPSHTVJCPOKPL-UHFFFAOYSA-N 2 0 348.491 1.251 20 0 EDADRP COCCC1(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC[NH2+]CC1 ZINC000891416199 591071519 /nfs/dbraw/zinc/07/15/19/591071519.db2.gz PAGBXMQCLQNHLT-JKSUJKDBSA-N 2 0 340.512 1.565 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)NCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000891476900 591084896 /nfs/dbraw/zinc/08/48/96/591084896.db2.gz WCEHRXCLGMJSDA-QGZVFWFLSA-N 2 0 334.464 1.045 20 0 EDADRP CC[NH+]1CCC(CNC(=O)NCc2cccc3c2CC[NH2+]C3)CC1 ZINC000891479092 591088581 /nfs/dbraw/zinc/08/85/81/591088581.db2.gz LGDPNHFPSTWNGM-UHFFFAOYSA-N 2 0 330.476 1.863 20 0 EDADRP CCN(C(=O)NCCc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[NH2+]C1 ZINC000891517181 591103376 /nfs/dbraw/zinc/10/33/76/591103376.db2.gz XTNHRDQBVBAOQF-QGZVFWFLSA-N 2 0 348.491 1.563 20 0 EDADRP C[NH+]1CC[C@H](NC(=O)N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000893876985 591125371 /nfs/dbraw/zinc/12/53/71/591125371.db2.gz DHGCYDXXIQLEOY-MHORFTMASA-N 2 0 328.460 1.635 20 0 EDADRP COCCC[NH+]1CCC(NC(=O)N2CC[C@@H]3[C@H]2CCC[N@@H+]3C)CC1 ZINC000892687844 591130578 /nfs/dbraw/zinc/13/05/78/591130578.db2.gz YFPBSRNKMFPJGL-IAGOWNOFSA-N 2 0 338.496 1.365 20 0 EDADRP C[NH+](C)[C@]1(CNC(=O)NC[C@H]2Cc3ccccc3C[NH2+]2)CCSC1 ZINC000891639752 591162596 /nfs/dbraw/zinc/16/25/96/591162596.db2.gz SSGWKSKKMUJCOI-AEFFLSMTSA-N 2 0 348.516 1.437 20 0 EDADRP CC(C)[C@H]([NH3+])CCN(C)C(=O)NC[C@@H]1CC2(CO1)CC[NH2+]CC2 ZINC000892755421 591163629 /nfs/dbraw/zinc/16/36/29/591163629.db2.gz HQUDPWQDAZZCTH-LSDHHAIUSA-N 2 0 326.485 1.160 20 0 EDADRP COCCC1(NC(=O)N[C@@H]2CCC[C@H]([NH+](C)C)C2)CC[NH2+]CC1 ZINC000891648791 591167144 /nfs/dbraw/zinc/16/71/44/591167144.db2.gz ZYZKGJVKHQEYPV-CABCVRRESA-N 2 0 326.485 1.317 20 0 EDADRP C[NH+]1CCC(C[NH+]2CCN(C(=O)COc3ccc(F)cc3)CC2)CC1 ZINC000891651558 591167783 /nfs/dbraw/zinc/16/77/83/591167783.db2.gz SPOCNQDYQBPLML-UHFFFAOYSA-N 2 0 349.450 1.691 20 0 EDADRP [NH3+][C@H]1C[C@@H](CNC(=O)NCC2(C[NH+]3CCOCC3)CCCCC2)C1 ZINC000891661813 591173320 /nfs/dbraw/zinc/17/33/20/591173320.db2.gz WXPRLGVODVZTHP-IYBDPMFKSA-N 2 0 338.496 1.306 20 0 EDADRP CC(C)(C[NH+]1CCCC1)NC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000892789371 591179107 /nfs/dbraw/zinc/17/91/07/591179107.db2.gz NJFDOTDOJUUSPR-QGZVFWFLSA-N 2 0 330.476 1.875 20 0 EDADRP CCC1([NH3+])CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000891695047 591187153 /nfs/dbraw/zinc/18/71/53/591187153.db2.gz WHKHAVNUGSVSRN-HZPDHXFCSA-N 2 0 338.496 1.277 20 0 EDADRP COC1CC[NH+](C(C)(C)CNC(=O)N(C)[C@H]2CCC[N@H+](C)C2)CC1 ZINC000892883779 591216188 /nfs/dbraw/zinc/21/61/88/591216188.db2.gz GEQBPDARUURSSC-HNNXBMFYSA-N 2 0 340.512 1.611 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N(CC[NH+](C)C)Cc2ccccn2)CC1 ZINC000892924167 591226541 /nfs/dbraw/zinc/22/65/41/591226541.db2.gz ZVDNRDRIJPGUKN-UHFFFAOYSA-N 2 0 333.480 1.769 20 0 EDADRP CCC1([NH3+])CCN(C(=O)N2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)CC1 ZINC000892933122 591229290 /nfs/dbraw/zinc/22/92/90/591229290.db2.gz FNZFAIYKCGCDBW-JKSUJKDBSA-N 2 0 338.496 1.528 20 0 EDADRP C[NH+](C)[C@H](CNC(=O)C1C[NH+](C2CCOCC2)C1)c1ccc(F)cc1 ZINC000895797514 591275652 /nfs/dbraw/zinc/27/56/52/591275652.db2.gz ICESXLJROKPHMZ-GOSISDBHSA-N 2 0 349.450 1.655 20 0 EDADRP C[NH+](C)CCOCCNC(=O)NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000894367279 591291678 /nfs/dbraw/zinc/29/16/78/591291678.db2.gz RRCWAUZIFDNJRA-MSOLQXFVSA-N 2 0 348.491 1.209 20 0 EDADRP COc1ccc(C[NH+]2CCC(C(=O)N3CCN(C)CC3)CC2)nc1 ZINC000894451424 591315537 /nfs/dbraw/zinc/31/55/37/591315537.db2.gz BNUVLLXRHNSECX-UHFFFAOYSA-N 2 0 332.448 1.076 20 0 EDADRP C[N@@H+]1CCN(Cc2ccccc2)[C@H](CNc2cc[nH+]cc2CO)C1 ZINC000894631706 591372486 /nfs/dbraw/zinc/37/24/86/591372486.db2.gz OWDGIIXBNHFOOW-GOSISDBHSA-N 2 0 326.444 1.224 20 0 EDADRP C[NH+](C)C1(C)CCC(NC(=O)NCC[NH+]2CCC(O)CC2)CC1 ZINC000896203253 591382936 /nfs/dbraw/zinc/38/29/36/591382936.db2.gz UJBVSQPDMHUJBF-UHFFFAOYSA-N 2 0 326.485 1.005 20 0 EDADRP CC[NH+]1CCN(c2ccc(C(=O)N3CC([NH+]4CCCC4)C3)cc2)CC1 ZINC000898611144 591438313 /nfs/dbraw/zinc/43/83/13/591438313.db2.gz RMMFBCOUUHYGGC-UHFFFAOYSA-N 2 0 342.487 1.749 20 0 EDADRP CCn1cc(C[NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)c(C)n1 ZINC000894895674 591462704 /nfs/dbraw/zinc/46/27/04/591462704.db2.gz REVQXLALIJLJEV-UHFFFAOYSA-N 2 0 335.496 1.098 20 0 EDADRP C[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)[C@@H]1C[N@H+](C)CCN1C ZINC000896568954 591530889 /nfs/dbraw/zinc/53/08/89/591530889.db2.gz QJWSBIGWXQNDKZ-APWZRJJASA-N 2 0 344.503 1.647 20 0 EDADRP CN1CCC[C@H]1c1cc(C(=O)N[C@@H]2C[C@@H]([NH+](C)C)C23CCC3)[nH]n1 ZINC000898826829 591549690 /nfs/dbraw/zinc/54/96/90/591549690.db2.gz RXFDEXRLJZHZIB-ARFHVFGLSA-N 2 0 331.464 1.779 20 0 EDADRP CN(CCN1CCOC(C)(C)C1)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC000897600437 591578351 /nfs/dbraw/zinc/57/83/51/591578351.db2.gz HNCBISVPUBPACH-INIZCTEOSA-N 2 0 349.479 1.359 20 0 EDADRP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895095797 591583730 /nfs/dbraw/zinc/58/37/30/591583730.db2.gz ITGCJCXHHMMGKO-INIZCTEOSA-N 2 0 340.512 1.253 20 0 EDADRP C[N@H+](CC1CC1)C[C@H]1CCN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000896792094 591613422 /nfs/dbraw/zinc/61/34/22/591613422.db2.gz YDTGEGKDTRQXSF-MRXNPFEDSA-N 2 0 335.492 1.288 20 0 EDADRP C[C@H](CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1)[N@H+](C)Cc1ccccc1 ZINC000896795758 591615020 /nfs/dbraw/zinc/61/50/20/591615020.db2.gz DMOGOZBYJMNOEL-VQIMIIECSA-N 2 0 345.487 1.734 20 0 EDADRP C[C@H]1CN(c2cc[nH+]cc2)CCN1C(=O)C1CC[NH+](C2CC2)CC1 ZINC000895268505 591690461 /nfs/dbraw/zinc/69/04/61/591690461.db2.gz NMJGPCQAWMTQBF-HNNXBMFYSA-N 2 0 328.460 1.993 20 0 EDADRP CN(C)Cc1cnc(CNCCN2C[C@H]3CCCCN3C2=O)s1 ZINC000895343756 591721873 /nfs/dbraw/zinc/72/18/73/591721873.db2.gz LGHXOCQOOZTAPR-CYBMUJFWSA-N 2 0 337.493 1.584 20 0 EDADRP CC1(C)CC[N@H+](CCNc2cc(N3CCC[C@@H](CO)C3)ncn2)C1 ZINC000897249611 591786094 /nfs/dbraw/zinc/78/60/94/591786094.db2.gz WZBDXIJRTRXHPC-OAHLLOKOSA-N 2 0 333.480 1.829 20 0 EDADRP CC1(C)CC[N@H+](CCNc2cc(N3CCC[C@H](CO)C3)ncn2)C1 ZINC000897249610 591786431 /nfs/dbraw/zinc/78/64/31/591786431.db2.gz WZBDXIJRTRXHPC-HNNXBMFYSA-N 2 0 333.480 1.829 20 0 EDADRP C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000900016986 591868408 /nfs/dbraw/zinc/86/84/08/591868408.db2.gz XCJYUZBSPWUFLP-AZUAARDMSA-N 2 0 345.487 1.744 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3C(N)=O)C2)C1 ZINC000902316698 591976780 /nfs/dbraw/zinc/97/67/80/591976780.db2.gz BXQZDLZJRKOXJS-CABCVRRESA-N 2 0 330.476 1.732 20 0 EDADRP CCn1ncc(CONC(=[NH2+])[C@@H]2CN(Cc3ccccc3)CCO2)n1 ZINC000902323235 591978590 /nfs/dbraw/zinc/97/85/90/591978590.db2.gz ASHFPUTUZKLERC-INIZCTEOSA-N 2 0 344.419 1.197 20 0 EDADRP CC1(C)C[NH2+]CC[C@@H]([NH2+][C@@H]2CCCN(CCN3CCOCC3)C2)C1 ZINC000902403896 591991326 /nfs/dbraw/zinc/99/13/26/591991326.db2.gz UMODTEUTGWFLHE-QZTJIDSGSA-N 2 0 338.540 1.151 20 0 EDADRP C[NH+](C)CCN(Cc1ccccc1)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900416676 592013146 /nfs/dbraw/zinc/01/31/46/592013146.db2.gz CHXAYEYYWKYHHX-IBGZPJMESA-N 2 0 333.476 1.424 20 0 EDADRP Cc1cn(C)nc1CONC(=[NH2+])[C@H]1CN(Cc2ccccc2)CCO1 ZINC000902727242 592053325 /nfs/dbraw/zinc/05/33/25/592053325.db2.gz UHGMIVWSDRRECG-QGZVFWFLSA-N 2 0 343.431 1.628 20 0 EDADRP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cn(C)nn1 ZINC000902795451 592064816 /nfs/dbraw/zinc/06/48/16/592064816.db2.gz GIFMOVUAFGSJCW-BEFAXECRSA-N 2 0 343.475 1.911 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000900659858 592084192 /nfs/dbraw/zinc/08/41/92/592084192.db2.gz ARXRBWMQEXYZSK-GOSISDBHSA-N 2 0 336.524 1.345 20 0 EDADRP CC[NH+](CC)C[C@H](C)NC(=O)CCCN1CC[NH+](C(C)C)CC1 ZINC000900694120 592088010 /nfs/dbraw/zinc/08/80/10/592088010.db2.gz FAZBQBXKGVUSED-KRWDZBQOSA-N 2 0 326.529 1.639 20 0 EDADRP CC(C)C[C@H](CNC(=O)C1CCC([NH+]2CCOCC2)CC1)[NH+](C)C ZINC000900684304 592093666 /nfs/dbraw/zinc/09/36/66/592093666.db2.gz MCLGTONAKFHFEU-DAWZGUTISA-N 2 0 339.524 1.970 20 0 EDADRP CCN1CC[NH+](CCCCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC000900689020 592095401 /nfs/dbraw/zinc/09/54/01/592095401.db2.gz OPCAFVOPLNWIPE-QZTJIDSGSA-N 2 0 336.524 1.537 20 0 EDADRP CCO[C@H]1CCC[C@@H]([NH2+]CC2(N3CCOCC3)CC[NH+](C)CC2)C1 ZINC000903018079 592097358 /nfs/dbraw/zinc/09/73/58/592097358.db2.gz WZJVZAXBQFSBNN-MSOLQXFVSA-N 2 0 339.524 1.720 20 0 EDADRP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCO[C@]23CCOC3)cc1 ZINC000903090898 592118521 /nfs/dbraw/zinc/11/85/21/592118521.db2.gz IWHXHLAUMQVOAE-OALUTQOASA-N 2 0 334.460 1.707 20 0 EDADRP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903105327 592120997 /nfs/dbraw/zinc/12/09/97/592120997.db2.gz BADQFXKLCKHJAV-PMACEKPBSA-N 2 0 346.471 1.681 20 0 EDADRP CCOC(=O)C1(C)CC([NH2+][C@@H]2C[C@]3(C[N@H+](C)[C@H]3C(C)C)C[C@H]2O)C1 ZINC000903112452 592122912 /nfs/dbraw/zinc/12/29/12/592122912.db2.gz NHOLBEMEWVEJTD-GPCOZRISSA-N 2 0 338.492 1.788 20 0 EDADRP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000903116865 592123380 /nfs/dbraw/zinc/12/33/80/592123380.db2.gz JSGBVLAOCVUGDH-SGFSRKTBSA-N 2 0 339.524 1.703 20 0 EDADRP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCO[C@@]23CCOC3)C1 ZINC000903148022 592129094 /nfs/dbraw/zinc/12/90/94/592129094.db2.gz PBYOZGQDZZINGB-CEXWTWQISA-N 2 0 332.444 1.291 20 0 EDADRP C[C@@H]1CCN(C(=O)[C@]2(C)C[C@H](O)C[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000900896350 592160402 /nfs/dbraw/zinc/16/04/02/592160402.db2.gz GKIMUFYVFRKNHO-KPFFTGBYSA-N 2 0 345.487 1.565 20 0 EDADRP CC(C)CC[NH+]1CCC(CNC(=O)[C@]2(C)C[C@H](O)C[N@@H+]2C)CC1 ZINC000900978663 592184549 /nfs/dbraw/zinc/18/45/49/592184549.db2.gz KERSYTFRMKZVAC-WMZOPIPTSA-N 2 0 325.497 1.316 20 0 EDADRP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C2 ZINC000903493677 592186252 /nfs/dbraw/zinc/18/62/52/592186252.db2.gz ZOLFJLKJRLKFHD-FSZRXZPDSA-N 2 0 339.480 1.233 20 0 EDADRP C[C@H]1CCCC[C@@H]1NC(=O)CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903511785 592191156 /nfs/dbraw/zinc/19/11/56/592191156.db2.gz ZUIHCZHFRJVZTO-KANFNMMFSA-N 2 0 348.535 1.582 20 0 EDADRP O=C1CC[C@@H]([NH2+]Cc2cccc3c2CCOC3)[C@H](C2CC[NH2+]CC2)N1 ZINC000903527065 592198199 /nfs/dbraw/zinc/19/81/99/592198199.db2.gz RNJZRTHMFYYCGA-QUCCMNQESA-N 2 0 343.471 1.496 20 0 EDADRP C[NH+](C)[C@H]1CCCN(C(=O)C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C1 ZINC000906656792 592238752 /nfs/dbraw/zinc/23/87/52/592238752.db2.gz UVCILWFWCHMOCI-HNNXBMFYSA-N 2 0 332.448 1.372 20 0 EDADRP Cc1cc(NC(=O)N2CC[C@H]3CC[C@@]32C[NH3+])n(C2CC[NH+](C)CC2)n1 ZINC000904366814 592241941 /nfs/dbraw/zinc/24/19/41/592241941.db2.gz PYYVFEVYARLEMY-RDTXWAMCSA-N 2 0 346.479 1.803 20 0 EDADRP Cn1nc(Br)cc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000904393072 592244156 /nfs/dbraw/zinc/24/41/56/592244156.db2.gz IMJZHHSUYIILTK-LBPRGKRZSA-N 2 0 343.269 1.512 20 0 EDADRP CCOc1cc(CN2CC[NH2+]CC[NH2+]CC2)cc(Cl)c1OC ZINC000904397137 592252424 /nfs/dbraw/zinc/25/24/24/592252424.db2.gz AEPOFKACXMNVPA-UHFFFAOYSA-N 2 0 327.856 1.742 20 0 EDADRP c1nnn([C@H]2CCC[NH2+]C2)c1C[N@@H+]1CCC[C@@H](C2CCOCC2)C1 ZINC000904432849 592254704 /nfs/dbraw/zinc/25/47/04/592254704.db2.gz HTWVTWARZGYIKT-SJORKVTESA-N 2 0 333.480 1.841 20 0 EDADRP C[NH+](C)[C@H]1CCN(c2ccc(NC(=O)C34CC[NH+](CC3)C4)nc2)C1 ZINC000901157459 592266326 /nfs/dbraw/zinc/26/63/26/592266326.db2.gz OTYVJNSOAGRYRQ-HNNXBMFYSA-N 2 0 329.448 1.256 20 0 EDADRP c1csc(C[C@H]2CCN(Cc3cnnn3[C@H]3CCC[NH2+]C3)C2)n1 ZINC000904468425 592267891 /nfs/dbraw/zinc/26/78/91/592267891.db2.gz CKFSCCFREKDROU-KGLIPLIRSA-N 2 0 332.477 1.724 20 0 EDADRP c1nnn([C@@H]2CCC[NH2+]C2)c1C[N@@H+]1CCCC[C@H]([C@H]2CCOC2)C1 ZINC000904473151 592268706 /nfs/dbraw/zinc/26/87/06/592268706.db2.gz OLPKJTLXOAILFQ-YESZJQIVSA-N 2 0 333.480 1.841 20 0 EDADRP CC(C)[C@@H](C)[N@@H+]1Cc2cccc(NC(=O)C(=O)NCC3([NH3+])CC3)c2C1 ZINC000906697308 592271145 /nfs/dbraw/zinc/27/11/45/592271145.db2.gz KJZMJIUCAJTJFC-CYBMUJFWSA-N 2 0 344.459 1.593 20 0 EDADRP CCCC[N@H+](C[C@H]1CC2(CO1)CC[NH2+]CC2)[C@@H]1CCS(=O)(=O)C1 ZINC000903718481 592280614 /nfs/dbraw/zinc/28/06/14/592280614.db2.gz NFUWKPJOZVFNOK-HZPDHXFCSA-N 2 0 344.521 1.434 20 0 EDADRP CCCC[N@H+](C[C@@H]1C[C@@]2(CC[NH2+]C2)CO1)[C@@H]1CCS(=O)(=O)C1 ZINC000903719063 592281784 /nfs/dbraw/zinc/28/17/84/592281784.db2.gz USKFNVDSKOCXDE-OWCLPIDISA-N 2 0 330.494 1.044 20 0 EDADRP O=C(NCC1CC1)[C@H]1CCC[N@H+](C[C@@H]2CC3(CO2)CC[NH2+]CC3)C1 ZINC000903725169 592285061 /nfs/dbraw/zinc/28/50/61/592285061.db2.gz XOHZTWCZFAIODJ-IRXDYDNUSA-N 2 0 335.492 1.383 20 0 EDADRP Cc1occc1C(=O)NC1CC[NH+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)CC1 ZINC000903730331 592287005 /nfs/dbraw/zinc/28/70/05/592287005.db2.gz VMJBDVVONISZGZ-APWZRJJASA-N 2 0 347.459 1.551 20 0 EDADRP C[C@H](O)C[N@@H+]1CCN(C(=O)Nc2ccc(C(C)(C)[NH3+])cc2)C[C@@H]1C ZINC000904582438 592287075 /nfs/dbraw/zinc/28/70/75/592287075.db2.gz OMENXEWGYSWYDW-KBPBESRZSA-N 2 0 334.464 1.799 20 0 EDADRP c1ccc(CC[NH+]2CCN(C[C@@H]3C[C@]4(CC[NH2+]C4)CO3)CC2)cc1 ZINC000903734047 592297882 /nfs/dbraw/zinc/29/78/82/592297882.db2.gz UDCPVGDNHOHVHQ-PMACEKPBSA-N 2 0 329.488 1.615 20 0 EDADRP [NH3+]Cc1ccccc1NC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000904628960 592298200 /nfs/dbraw/zinc/29/82/00/592298200.db2.gz YSWWAJKBQDLGAW-INIZCTEOSA-N 2 0 332.448 1.864 20 0 EDADRP CC(C)[N@@H+]1CCO[C@@H](CN2CCN(C[C@H]3CCCC[NH2+]C3)CC2)C1 ZINC000903741219 592302923 /nfs/dbraw/zinc/30/29/23/592302923.db2.gz ONSRJWFBPJGSGO-OALUTQOASA-N 2 0 338.540 1.103 20 0 EDADRP CCN(C[C@@H]1CC[N@H+](C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1)CC(F)(F)F ZINC000903742684 592304971 /nfs/dbraw/zinc/30/49/71/592304971.db2.gz ZIRUANCJNITMPO-XHSDSOJGSA-N 2 0 349.441 1.961 20 0 EDADRP C[NH+](C)C1CCN(C(=O)Cc2noc([C@@H]3CCCC[C@@H]3C[NH3+])n2)CC1 ZINC000904691205 592307083 /nfs/dbraw/zinc/30/70/83/592307083.db2.gz DGAFIJURDYHVAK-UKRRQHHQSA-N 2 0 349.479 1.397 20 0 EDADRP CC1(N2CCOCC2)CC[NH+](C[C@H]2CC3(CO2)CC[NH2+]CC3)CC1 ZINC000903769693 592310651 /nfs/dbraw/zinc/31/06/51/592310651.db2.gz MDNZUIBWKAZRPG-QGZVFWFLSA-N 2 0 337.508 1.332 20 0 EDADRP CC[C@@H](C)C[C@@H](N)c1nc(CC(=O)N2CCC([NH+](C)C)CC2)no1 ZINC000904693280 592311976 /nfs/dbraw/zinc/31/19/76/592311976.db2.gz XCMPNYWWECDHHK-TZMCWYRMSA-N 2 0 337.468 1.601 20 0 EDADRP C[NH+](C)CCc1ccccc1NC(=O)C(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000906764823 592321047 /nfs/dbraw/zinc/32/10/47/592321047.db2.gz JCSVYWHXAMZYMA-IBGZPJMESA-N 2 0 344.459 1.084 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[N@H+](CCO)[C@@H]2CCc3ccccc32)cnn1C ZINC000903893177 592365788 /nfs/dbraw/zinc/36/57/88/592365788.db2.gz RXSMLXKFFHWSGI-OXJNMPFZSA-N 2 0 342.487 1.828 20 0 EDADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903893650 592366001 /nfs/dbraw/zinc/36/60/01/592366001.db2.gz XYAQWJDCLCYAQJ-ZBFHGGJFSA-N 2 0 329.448 1.971 20 0 EDADRP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903893647 592366273 /nfs/dbraw/zinc/36/62/73/592366273.db2.gz XYAQWJDCLCYAQJ-GDBMZVCRSA-N 2 0 329.448 1.971 20 0 EDADRP Cn1cc(C[C@@H]2CC[N@H+](Cc3cnnn3[C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000903898877 592368979 /nfs/dbraw/zinc/36/89/79/592368979.db2.gz OYCGCWWCQSEINJ-GOEBONIOSA-N 2 0 329.452 1.001 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH2+]C(C)(C)C(=O)Nc2ccccc2)cnn1C ZINC000903897823 592369033 /nfs/dbraw/zinc/36/90/33/592369033.db2.gz HGXOVLVUHKQUDX-HNNXBMFYSA-N 2 0 343.475 1.853 20 0 EDADRP C[C@](O)(C[NH2+]CCCN1CC[NH+](Cc2ccccc2)CC1)C(F)F ZINC000905035002 592372654 /nfs/dbraw/zinc/37/26/54/592372654.db2.gz NCLYVTLDFRJZMR-SFHVURJKSA-N 2 0 341.446 1.800 20 0 EDADRP Cn1ccnc1CN(C[C@H]([NH3+])CC(F)F)[C@@H]1CC12CC[NH2+]CC2 ZINC000903905768 592373005 /nfs/dbraw/zinc/37/30/05/592373005.db2.gz NONYDKKFIHLUPL-CHWSQXEVSA-N 2 0 327.423 1.347 20 0 EDADRP C[N@H+](CCN1C(=O)c2ccccc2C1=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903911176 592374826 /nfs/dbraw/zinc/37/48/26/592374826.db2.gz YFVOERQTPQORDZ-GOOCMWNKSA-N 2 0 327.428 1.745 20 0 EDADRP Cc1c(C[C@H](C[NH3+])CN2CC[C@H](C[N@H+](C)CC3CC3)C2)cnn1C ZINC000903909637 592375055 /nfs/dbraw/zinc/37/50/55/592375055.db2.gz GWXACSUFWBLSDC-QZTJIDSGSA-N 2 0 333.524 1.510 20 0 EDADRP C[C@@H]1CN(Cc2cnnn2[C@H]2CCC[NH2+]C2)c2cc(F)ccc2C[NH2+]1 ZINC000903918488 592375684 /nfs/dbraw/zinc/37/56/84/592375684.db2.gz AKULUHIURSWMRZ-CJNGLKHVSA-N 2 0 344.438 1.840 20 0 EDADRP Cc1c(C[C@H](C[NH3+])C[NH2+]C2CCN(C(=O)CC(C)C)CC2)cnn1C ZINC000903925204 592379860 /nfs/dbraw/zinc/37/98/60/592379860.db2.gz LYPSGJUJJWNMJV-MRXNPFEDSA-N 2 0 349.523 1.473 20 0 EDADRP Cc1nn(C)c(C)c1C[C@@H](C)[NH2+]Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903927006 592381135 /nfs/dbraw/zinc/38/11/35/592381135.db2.gz WOOABDGEWXESBT-IUODEOHRSA-N 2 0 331.468 1.274 20 0 EDADRP Cc1c(C[C@@H](C[NH3+])C[NH+]2CCC([C@@]3(C)COC(=O)N3)CC2)cnn1C ZINC000903986693 592406057 /nfs/dbraw/zinc/40/60/57/592406057.db2.gz POPWAOLFEHCTGK-KBXCAEBGSA-N 2 0 349.479 1.056 20 0 EDADRP C[C@H](C[NH2+]C[C@@](C)(O)C(F)(F)C(F)(F)F)CN1CC[NH+](C)CC1 ZINC000905109389 592410139 /nfs/dbraw/zinc/41/01/39/592410139.db2.gz CAWGBZRAOFKRCW-VXGBXAGGSA-N 2 0 347.372 1.408 20 0 EDADRP [NH3+][C@H](Cc1nc([C@H]2CN3CCC[C@@H]3CO2)no1)Cc1ccccc1 ZINC000904100005 592425064 /nfs/dbraw/zinc/42/50/64/592425064.db2.gz VDXSVEPNOQTMRO-ARFHVFGLSA-N 2 0 328.416 1.718 20 0 EDADRP C[C@@H]1COCC[N@@H+]1C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC000908317354 592430625 /nfs/dbraw/zinc/43/06/25/592430625.db2.gz XZUGZDGYWVUZOI-NUJGCVRESA-N 2 0 335.492 1.715 20 0 EDADRP CC(C)[NH+]1CCN(CCC(=O)N2CC[C@]3(C2)CCC[N@H+](C)C3)CC1 ZINC000908424327 592490229 /nfs/dbraw/zinc/49/02/29/592490229.db2.gz YKVGIUNJWGOGME-LJQANCHMSA-N 2 0 336.524 1.347 20 0 EDADRP CC[N@@H+]1C[C@]2(C[C@@H](O)[C@H]([NH2+]C[C@@H](O)CCOC(C)C)C2)[C@H]1C(C)C ZINC000905501451 592546259 /nfs/dbraw/zinc/54/62/59/592546259.db2.gz GFDUCNDFKMXPGO-VHPHOLNESA-N 2 0 342.524 1.622 20 0 EDADRP CC(C)OCC[C@H](O)C[NH2+][C@@H]1C[C@@]2(C[N@H+](C)[C@@H]2C(C)C)C[C@H]1O ZINC000905497136 592553609 /nfs/dbraw/zinc/55/36/09/592553609.db2.gz WYHPKKPCUVTEDP-TZNCUMHOSA-N 2 0 328.497 1.232 20 0 EDADRP Cc1[nH+]ccc(N2CC[C@@H](N3CC[NH2+]CC3)C2)c1Br ZINC000905634951 592592366 /nfs/dbraw/zinc/59/23/66/592592366.db2.gz CKTRNSBYPMSIHA-GFCCVEGCSA-N 2 0 325.254 1.636 20 0 EDADRP C[NH2+]C[C@H]1CCCCN1c1cc(N2CCCC[C@@H]2C[NH2+]C)ncn1 ZINC000905649423 592596272 /nfs/dbraw/zinc/59/62/72/592596272.db2.gz VQLROLRBEVGWGA-HZPDHXFCSA-N 2 0 332.496 1.633 20 0 EDADRP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)C1CN(C)CC[NH+](C)C1 ZINC000907397492 592626238 /nfs/dbraw/zinc/62/62/38/592626238.db2.gz BIZLHLFPDAIBTH-QFBILLFUSA-N 2 0 344.503 1.117 20 0 EDADRP CC(C)[NH+]1CCN(CCCC(=O)NC[C@@H]2CCc3nccn3C2)CC1 ZINC000907558325 592707839 /nfs/dbraw/zinc/70/78/39/592707839.db2.gz GJLWNYWVLMZCDX-KRWDZBQOSA-N 2 0 347.507 1.368 20 0 EDADRP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645827 592865746 /nfs/dbraw/zinc/86/57/46/592865746.db2.gz LMDJSKASMXASOD-UONOGXRCSA-N 2 0 332.448 1.320 20 0 EDADRP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)C(=O)Nc1ccccc1C[NH3+] ZINC000906645825 592865752 /nfs/dbraw/zinc/86/57/52/592865752.db2.gz LMDJSKASMXASOD-KGLIPLIRSA-N 2 0 332.448 1.320 20 0 EDADRP CC[NH+](CC)[C@H](CNC(=O)[C@@H]([NH3+])Cc1cc[nH]n1)c1ccccc1 ZINC000911632693 592970534 /nfs/dbraw/zinc/97/05/34/592970534.db2.gz JGKCUXUWKXEGFU-DLBZAZTESA-N 2 0 329.448 1.479 20 0 EDADRP CCO[C@H]1C[NH2+][C@H](C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)C1 ZINC000911635695 592971896 /nfs/dbraw/zinc/97/18/96/592971896.db2.gz LEYJBHFXUMZNAO-MSOLQXFVSA-N 2 0 331.460 1.488 20 0 EDADRP O=C(C[C@]1(O)CCC[NH2+]C1)N1CCC[N@H+](Cc2ccccc2)CC1 ZINC000911635675 592971906 /nfs/dbraw/zinc/97/19/06/592971906.db2.gz KRJNQAFIDKMIMI-LJQANCHMSA-N 2 0 331.460 1.226 20 0 EDADRP C[NH+](C)CCOc1ccc(/C=C\C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000911714098 592986167 /nfs/dbraw/zinc/98/61/67/592986167.db2.gz NTOQZGQAHJNHHY-SDMNGIDPSA-N 2 0 331.460 1.899 20 0 EDADRP [NH3+]CCCOC1CCN(C(=O)c2cccc3c2OCC[NH2+]C3)CC1 ZINC000911875155 593029237 /nfs/dbraw/zinc/02/92/37/593029237.db2.gz JPPVWXDUASFLOW-UHFFFAOYSA-N 2 0 333.432 1.139 20 0 EDADRP C[NH+](C)C[C@H](Cc1ccccc1)NC(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000912203762 593071551 /nfs/dbraw/zinc/07/15/51/593071551.db2.gz CQAYMGZEHBDJJL-ZWKOTPCHSA-N 2 0 332.492 1.943 20 0 EDADRP O=C(NC1CC[NH+](C2CCOCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000912346534 593087755 /nfs/dbraw/zinc/08/77/55/593087755.db2.gz JNUCPQHADRMVHO-ZWKOTPCHSA-N 2 0 335.492 1.763 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000912588057 593106632 /nfs/dbraw/zinc/10/66/32/593106632.db2.gz IGSXZGJTNFJJEL-HZPDHXFCSA-N 2 0 325.497 1.458 20 0 EDADRP CC(C)C[NH2+]C1(CO)CCN(C(=O)c2ccc(C[NH+](C)C)nc2)CC1 ZINC000912589608 593106846 /nfs/dbraw/zinc/10/68/46/593106846.db2.gz VPTYMDPRJXQEFF-UHFFFAOYSA-N 2 0 348.491 1.356 20 0 EDADRP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2COCC23OCCO3)[C@H]2CCC[C@@H]21 ZINC000840795219 593231927 /nfs/dbraw/zinc/23/19/27/593231927.db2.gz DZRRGLXHWWAHLD-QZWWFDLISA-N 2 0 338.492 1.865 20 0 EDADRP CCn1ncc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)n1 ZINC000838970160 593244727 /nfs/dbraw/zinc/24/47/27/593244727.db2.gz JNJHNHPGTGXJNL-UHFFFAOYSA-N 2 0 336.484 1.014 20 0 EDADRP CCC[C@]1(C2CC2)NC(=O)N(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)C1=O ZINC000802734011 593274138 /nfs/dbraw/zinc/27/41/38/593274138.db2.gz OAYYZGSUHJHBKC-URLQWDBASA-N 2 0 348.491 1.861 20 0 EDADRP CS[C@@H]1CN(C(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C[C@@H]1[NH+](C)C ZINC000810755594 593427558 /nfs/dbraw/zinc/42/75/58/593427558.db2.gz XNUGKNKKDOFHGH-WOSRLPQWSA-N 2 0 331.501 1.703 20 0 EDADRP COCC[NH+](CCOC)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000804628134 593428710 /nfs/dbraw/zinc/42/87/10/593428710.db2.gz WMULSMYIJJTRLK-UHFFFAOYSA-N 2 0 341.496 1.057 20 0 EDADRP O[C@@H](C[NH2+]C1(Cc2cccc(F)c2)CCOCC1)C[NH+]1CCCC1 ZINC000815151495 593618145 /nfs/dbraw/zinc/61/81/45/593618145.db2.gz GOHSDBUJZWQIQF-SFHVURJKSA-N 2 0 336.451 1.964 20 0 EDADRP O[C@]1(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CCCc2ccccc21 ZINC000817914603 593648038 /nfs/dbraw/zinc/64/80/38/593648038.db2.gz VPFWWCDEPRQHOK-NBYUQASBSA-N 2 0 330.472 1.957 20 0 EDADRP CCOC(=O)C1([C@H](C)[NH2+]C[C@@]2(O)CCc3ccccc32)CC[NH2+]CC1 ZINC000817917531 593648453 /nfs/dbraw/zinc/64/84/53/593648453.db2.gz NXYRUHIBHKJWAY-YWZLYKJASA-N 2 0 346.471 1.731 20 0 EDADRP CC(C)(C)OC(=O)NCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000818963132 593730712 /nfs/dbraw/zinc/73/07/12/593730712.db2.gz HUALFKJGRHJJBI-KFWWJZLASA-N 2 0 327.469 1.479 20 0 EDADRP CN(C[C@H](O)C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000818963605 593730768 /nfs/dbraw/zinc/73/07/68/593730768.db2.gz VWXGINHWLLIOQM-QLFBSQMISA-N 2 0 327.469 1.431 20 0 EDADRP CS(=O)(=O)CC[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000819207124 593744239 /nfs/dbraw/zinc/74/42/39/593744239.db2.gz FJLZSIGRNBXPIW-UHFFFAOYSA-N 2 0 340.489 1.338 20 0 EDADRP